smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)N(CCN(C)c1ccnc(C#N)n1)C(=O)Cc1[nH]cc[nH+]1 ZINC001125568980 735492985 /nfs/dbraw/zinc/49/29/85/735492985.db2.gz PUDDPVMASFPVQQ-UHFFFAOYSA-N 1 2 327.392 0.987 20 30 ECEDLO C=C1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001024956873 738426579 /nfs/dbraw/zinc/42/65/79/738426579.db2.gz MVCSUNPQHFEXNX-HZPDHXFCSA-N 1 2 346.431 0.695 20 30 ECEDLO C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001024957283 738427474 /nfs/dbraw/zinc/42/74/74/738427474.db2.gz DQDSFGMYWQOPDF-ZIAGYGMSSA-N 1 2 332.404 0.305 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001024957927 738430427 /nfs/dbraw/zinc/43/04/27/738430427.db2.gz JQSZIWRDMIJJIY-ZIAGYGMSSA-N 1 2 334.420 0.551 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC3CC3)C2)nn1 ZINC001098595327 738504498 /nfs/dbraw/zinc/50/44/98/738504498.db2.gz KZLWKGRJOZADMK-OAHLLOKOSA-N 1 2 346.435 0.243 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)c(OC)c2)[C@@H](n2ccnn2)C1 ZINC001069973136 790264886 /nfs/dbraw/zinc/26/48/86/790264886.db2.gz NSEIUPDGGMDMTD-CVEARBPZSA-N 1 2 339.399 0.884 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)c(OC)c2)[C@@H](n2ccnn2)C1 ZINC001069973136 790264891 /nfs/dbraw/zinc/26/48/91/790264891.db2.gz NSEIUPDGGMDMTD-CVEARBPZSA-N 1 2 339.399 0.884 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001211497919 731734352 /nfs/dbraw/zinc/73/43/52/731734352.db2.gz URDYLHNWUVAAJQ-CZUORRHYSA-N 1 2 345.447 0.572 20 30 ECEDLO C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001211497919 731734354 /nfs/dbraw/zinc/73/43/54/731734354.db2.gz URDYLHNWUVAAJQ-CZUORRHYSA-N 1 2 345.447 0.572 20 30 ECEDLO C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)[C@@H](O)C2)C1 ZINC000969420399 731844981 /nfs/dbraw/zinc/84/49/81/731844981.db2.gz DQDSFGMYWQOPDF-KGLIPLIRSA-N 1 2 332.404 0.305 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CN3CCc4ccccc43)[C@H]2C1 ZINC001083276597 738547952 /nfs/dbraw/zinc/54/79/52/738547952.db2.gz LPCMXUKNJUVKAN-ZWKOTPCHSA-N 1 2 325.412 0.594 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CN3CCc4ccccc43)[C@H]2C1 ZINC001083276597 738547955 /nfs/dbraw/zinc/54/79/55/738547955.db2.gz LPCMXUKNJUVKAN-ZWKOTPCHSA-N 1 2 325.412 0.594 20 30 ECEDLO CN(C[C@H](O)CN(C)c1ncccc1C#N)C(=O)Cc1c[nH+]c[nH]1 ZINC001125298119 731884756 /nfs/dbraw/zinc/88/47/56/731884756.db2.gz ACWAAAJNNQWHIX-AWEZNQCLSA-N 1 2 328.376 0.175 20 30 ECEDLO COc1cncc(C[NH+]2CC([C@@H](C)NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000969461726 731909312 /nfs/dbraw/zinc/90/93/12/731909312.db2.gz AASROHNGXINAKW-LLVKDONJSA-N 1 2 340.387 0.935 20 30 ECEDLO CCn1nncc1C[NH+]1CC([C@H](C)NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000969514168 731940926 /nfs/dbraw/zinc/94/09/26/731940926.db2.gz LITFRMQNOATWQD-NSHDSACASA-N 1 2 327.392 0.748 20 30 ECEDLO C=CCN(CC[NH+]1CCN(CC(=O)OCC)CC1)C(=O)OCC ZINC001209016912 732448693 /nfs/dbraw/zinc/44/86/93/732448693.db2.gz HVYAIIZLWMJPPA-UHFFFAOYSA-N 1 2 327.425 0.812 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC000969992133 732599263 /nfs/dbraw/zinc/59/92/63/732599263.db2.gz KITZATHZTPLULS-VIFPVBQESA-N 1 2 347.824 0.730 20 30 ECEDLO CCc1nc[nH]c1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001078089420 782285400 /nfs/dbraw/zinc/28/54/00/782285400.db2.gz BHKIKPWPZDZPLY-IAGOWNOFSA-N 1 2 338.411 0.799 20 30 ECEDLO CCc1nc[nH]c1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001078089420 782285406 /nfs/dbraw/zinc/28/54/06/782285406.db2.gz BHKIKPWPZDZPLY-IAGOWNOFSA-N 1 2 338.411 0.799 20 30 ECEDLO CN(C[C@H](O)CN(C)c1ccncc1C#N)C(=O)CCc1c[nH]c[nH+]1 ZINC001125320617 732958278 /nfs/dbraw/zinc/95/82/78/732958278.db2.gz JZWFDVSLQJLRLX-OAHLLOKOSA-N 1 2 342.403 0.565 20 30 ECEDLO CN(C[C@H](O)CN(C)c1ccncc1C#N)C(=O)CCc1c[nH+]c[nH]1 ZINC001125320617 732958280 /nfs/dbraw/zinc/95/82/80/732958280.db2.gz JZWFDVSLQJLRLX-OAHLLOKOSA-N 1 2 342.403 0.565 20 30 ECEDLO C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)CNc1ccnc(C#N)n1 ZINC001104238065 732992207 /nfs/dbraw/zinc/99/22/07/732992207.db2.gz BRRGIFXTIBSTNL-OLZOCXBDSA-N 1 2 327.392 0.782 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cn3c(=O)[nH]c4ccccc43)[C@H]2C1 ZINC001083206300 733915567 /nfs/dbraw/zinc/91/55/67/733915567.db2.gz SDVGVEHLYLNJNC-JKSUJKDBSA-N 1 2 340.383 0.287 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c(=O)[nH]c4ccccc43)[C@H]2C1 ZINC001083206300 733915569 /nfs/dbraw/zinc/91/55/69/733915569.db2.gz SDVGVEHLYLNJNC-JKSUJKDBSA-N 1 2 340.383 0.287 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccnc(N(C)C)c3)[C@H]2C1 ZINC001083212229 734286844 /nfs/dbraw/zinc/28/68/44/734286844.db2.gz JHSUBZAYVZJOST-JKSUJKDBSA-N 1 2 328.416 0.696 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccnc(N(C)C)c3)[C@H]2C1 ZINC001083212229 734286846 /nfs/dbraw/zinc/28/68/46/734286846.db2.gz JHSUBZAYVZJOST-JKSUJKDBSA-N 1 2 328.416 0.696 20 30 ECEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC000971160934 734327567 /nfs/dbraw/zinc/32/75/67/734327567.db2.gz PQCCMYJJTBFFSY-HNNXBMFYSA-N 1 2 335.429 0.636 20 30 ECEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC000971160934 734327569 /nfs/dbraw/zinc/32/75/69/734327569.db2.gz PQCCMYJJTBFFSY-HNNXBMFYSA-N 1 2 335.429 0.636 20 30 ECEDLO Cc1cc(N2CCO[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)c(C#N)cn1 ZINC001104349724 734522806 /nfs/dbraw/zinc/52/28/06/734522806.db2.gz LAEAUIMHEFRLLA-OAHLLOKOSA-N 1 2 340.387 0.549 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC000971842358 735221663 /nfs/dbraw/zinc/22/16/63/735221663.db2.gz XFMIAPIULZQVAP-RYUDHWBXSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC000971842358 735221666 /nfs/dbraw/zinc/22/16/66/735221666.db2.gz XFMIAPIULZQVAP-RYUDHWBXSA-N 1 2 344.253 0.954 20 30 ECEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972078350 735618049 /nfs/dbraw/zinc/61/80/49/735618049.db2.gz GEXDESSIEMXYEH-CVEARBPZSA-N 1 2 344.390 0.866 20 30 ECEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972078350 735618053 /nfs/dbraw/zinc/61/80/53/735618053.db2.gz GEXDESSIEMXYEH-CVEARBPZSA-N 1 2 344.390 0.866 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC000972129555 735679727 /nfs/dbraw/zinc/67/97/27/735679727.db2.gz GRAZLUPTDVXHIL-NWDGAFQWSA-N 1 2 344.253 0.906 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC000972129555 735679729 /nfs/dbraw/zinc/67/97/29/735679729.db2.gz GRAZLUPTDVXHIL-NWDGAFQWSA-N 1 2 344.253 0.906 20 30 ECEDLO CN1CCC[C@H]([N@@H+]2CCO[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)C1=O ZINC000972378083 736043932 /nfs/dbraw/zinc/04/39/32/736043932.db2.gz OYXWRKZYQKUIHQ-QFBILLFUSA-N 1 2 345.443 0.324 20 30 ECEDLO CN1CCC[C@H]([N@H+]2CCO[C@]3(CCN(C(=O)C#CC4CC4)C3)C2)C1=O ZINC000972378083 736043938 /nfs/dbraw/zinc/04/39/38/736043938.db2.gz 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CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCNC(=O)C3)C2)C1 ZINC000972431579 736181150 /nfs/dbraw/zinc/18/11/50/736181150.db2.gz RLFZLENZXXTTRT-ROUUACIJSA-N 1 2 333.432 0.229 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn(C)ccc3=O)C2)C1 ZINC000972457170 736249337 /nfs/dbraw/zinc/24/93/37/736249337.db2.gz AGFQCGJICDQCHE-GOSISDBHSA-N 1 2 329.400 0.326 20 30 ECEDLO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn(C)ccc3=O)C2)C1 ZINC000972457170 736249340 /nfs/dbraw/zinc/24/93/40/736249340.db2.gz AGFQCGJICDQCHE-GOSISDBHSA-N 1 2 329.400 0.326 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(F)F)nn3C)C2)C1 ZINC000972463802 736262873 /nfs/dbraw/zinc/26/28/73/736262873.db2.gz XYLIRIHIVZLTCH-MRXNPFEDSA-N 1 2 338.358 0.908 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(F)F)nn3C)C2)C1 ZINC000972463802 736262875 /nfs/dbraw/zinc/26/28/75/736262875.db2.gz XYLIRIHIVZLTCH-MRXNPFEDSA-N 1 2 338.358 0.908 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)C1 ZINC000972478762 736304421 /nfs/dbraw/zinc/30/44/21/736304421.db2.gz KDWNXTJHYGRLLM-CUSZFKRNSA-N 1 2 336.432 0.527 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)C1 ZINC000972478762 736304424 /nfs/dbraw/zinc/30/44/24/736304424.db2.gz KDWNXTJHYGRLLM-CUSZFKRNSA-N 1 2 336.432 0.527 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4cnn(C)c4C3)C2)C1 ZINC000972517122 736528096 /nfs/dbraw/zinc/52/80/96/736528096.db2.gz BBONQIHEVOLJOL-BEFAXECRSA-N 1 2 342.443 0.462 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4cnn(C)c4C3)C2)C1 ZINC000972517122 736528098 /nfs/dbraw/zinc/52/80/98/736528098.db2.gz BBONQIHEVOLJOL-BEFAXECRSA-N 1 2 342.443 0.462 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3cnn(C)n3)C2)C1 ZINC000972553470 736723082 /nfs/dbraw/zinc/72/30/82/736723082.db2.gz FXCXUAUVNXLOLE-QGZVFWFLSA-N 1 2 331.420 0.074 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3cnn(C)n3)C2)C1 ZINC000972553470 736723086 /nfs/dbraw/zinc/72/30/86/736723086.db2.gz FXCXUAUVNXLOLE-QGZVFWFLSA-N 1 2 331.420 0.074 20 30 ECEDLO C=CCOCC(=O)N(C)[C@@H](C)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001104496125 736990039 /nfs/dbraw/zinc/99/00/39/736990039.db2.gz IYCAQEBQPCILBV-ZDUSSCGKSA-N 1 2 333.436 0.926 20 30 ECEDLO C=CCOCC(=O)N(C)[C@@H](C)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001104496125 736990043 /nfs/dbraw/zinc/99/00/43/736990043.db2.gz IYCAQEBQPCILBV-ZDUSSCGKSA-N 1 2 333.436 0.926 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 ZINC000972609892 737092139 /nfs/dbraw/zinc/09/21/39/737092139.db2.gz WKODVIZAILLYPH-GOSISDBHSA-N 1 2 339.399 0.670 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 ZINC000972609892 737092142 /nfs/dbraw/zinc/09/21/42/737092142.db2.gz WKODVIZAILLYPH-GOSISDBHSA-N 1 2 339.399 0.670 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3cnn(CC)c3)C2)C1 ZINC000972632906 737174151 /nfs/dbraw/zinc/17/41/51/737174151.db2.gz XDBUXVPEFKVFOH-GOSISDBHSA-N 1 2 330.432 0.772 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3cnn(CC)c3)C2)C1 ZINC000972632906 737174152 /nfs/dbraw/zinc/17/41/52/737174152.db2.gz XDBUXVPEFKVFOH-GOSISDBHSA-N 1 2 330.432 0.772 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H](C)N3CCCC3=O)C2)C1 ZINC000972633486 737178446 /nfs/dbraw/zinc/17/84/46/737178446.db2.gz FQSFGMFRFDQWOF-QFBILLFUSA-N 1 2 347.459 0.714 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H](C)N3CCCC3=O)C2)C1 ZINC000972633486 737178447 /nfs/dbraw/zinc/17/84/47/737178447.db2.gz FQSFGMFRFDQWOF-QFBILLFUSA-N 1 2 347.459 0.714 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(=O)NC)nc3)C2)C1 ZINC000972639836 737200149 /nfs/dbraw/zinc/20/01/49/737200149.db2.gz BWFGALBYZNZCJF-GOSISDBHSA-N 1 2 344.415 0.544 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(=O)NC)nc3)C2)C1 ZINC000972639836 737200150 /nfs/dbraw/zinc/20/01/50/737200150.db2.gz BWFGALBYZNZCJF-GOSISDBHSA-N 1 2 344.415 0.544 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)C2)C1 ZINC000972655485 737265472 /nfs/dbraw/zinc/26/54/72/737265472.db2.gz LCOPCCKUYYKRIT-AEFFLSMTSA-N 1 2 333.432 0.181 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)C2)C1 ZINC000972655485 737265476 /nfs/dbraw/zinc/26/54/76/737265476.db2.gz LCOPCCKUYYKRIT-AEFFLSMTSA-N 1 2 333.432 0.181 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3c(C)csc3=O)C2)C1 ZINC000972669266 737315279 /nfs/dbraw/zinc/31/52/79/737315279.db2.gz JICXARNXZHTENU-MRXNPFEDSA-N 1 2 337.445 0.708 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3c(C)csc3=O)C2)C1 ZINC000972669266 737315283 /nfs/dbraw/zinc/31/52/83/737315283.db2.gz JICXARNXZHTENU-MRXNPFEDSA-N 1 2 337.445 0.708 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2c(C)nn(C)c2Cl)[C@@H](n2ccnn2)C1 ZINC001069992666 790287562 /nfs/dbraw/zinc/28/75/62/790287562.db2.gz OMDSFZHWCQGRBP-NEPJUHHUSA-N 1 2 349.826 0.815 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2c(C)nn(C)c2Cl)[C@@H](n2ccnn2)C1 ZINC001069992666 790287567 /nfs/dbraw/zinc/28/75/67/790287567.db2.gz OMDSFZHWCQGRBP-NEPJUHHUSA-N 1 2 349.826 0.815 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3COc4ccccc4O3)[C@H]2C1 ZINC001083265755 737755001 /nfs/dbraw/zinc/75/50/01/737755001.db2.gz PDGOPYHZZXPDCR-BMGDILEWSA-N 1 2 342.395 0.761 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3COc4ccccc4O3)[C@H]2C1 ZINC001083265755 737755003 /nfs/dbraw/zinc/75/50/03/737755003.db2.gz PDGOPYHZZXPDCR-BMGDILEWSA-N 1 2 342.395 0.761 20 30 ECEDLO Cn1nncc1C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001024380370 737936564 /nfs/dbraw/zinc/93/65/64/737936564.db2.gz LHYAWIMEUAVUJQ-ZDUSSCGKSA-N 1 2 327.392 0.799 20 30 ECEDLO Cn1nncc1C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001024380370 737936566 /nfs/dbraw/zinc/93/65/66/737936566.db2.gz LHYAWIMEUAVUJQ-ZDUSSCGKSA-N 1 2 327.392 0.799 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N(CCO)CCNc1nc(C)cc(C#N)n1 ZINC001111492537 738113942 /nfs/dbraw/zinc/11/39/42/738113942.db2.gz DSNIGTVZXLARME-UHFFFAOYSA-N 1 2 343.391 0.164 20 30 ECEDLO C=CCN(CC=C)C(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(C)=O)C2)nn1 ZINC001098591222 738310497 /nfs/dbraw/zinc/31/04/97/738310497.db2.gz ATUACQCRMCFPFR-MRXNPFEDSA-N 1 2 346.435 0.362 20 30 ECEDLO C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001104613857 739211902 /nfs/dbraw/zinc/21/19/02/739211902.db2.gz POJBGNBHTCTVDY-CYBMUJFWSA-N 1 2 346.435 0.718 20 30 ECEDLO C#CCOCCC(=O)N(C)[C@@H](C)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001104678496 739460898 /nfs/dbraw/zinc/46/08/98/739460898.db2.gz UYJSVURUCOJTLK-AWEZNQCLSA-N 1 2 345.447 0.763 20 30 ECEDLO C#CCOCCC(=O)N(C)[C@@H](C)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001104678496 739460900 /nfs/dbraw/zinc/46/09/00/739460900.db2.gz UYJSVURUCOJTLK-AWEZNQCLSA-N 1 2 345.447 0.763 20 30 ECEDLO N#Cc1nccc(N2CCC3(C[C@H]3NC(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001058638238 739636617 /nfs/dbraw/zinc/63/66/17/739636617.db2.gz PYKTVUIFJLVGCB-CYBMUJFWSA-N 1 2 337.387 0.720 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2O)CC1 ZINC001025489534 739652322 /nfs/dbraw/zinc/65/23/22/739652322.db2.gz NTMHLALFQDAEBO-HZPDHXFCSA-N 1 2 346.431 0.695 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001025776114 739945075 /nfs/dbraw/zinc/94/50/75/739945075.db2.gz YWENJRLAJYKBQL-QUEVPRLRSA-N 1 2 344.346 0.909 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001025776114 739945078 /nfs/dbraw/zinc/94/50/78/739945078.db2.gz YWENJRLAJYKBQL-QUEVPRLRSA-N 1 2 344.346 0.909 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3ccn(CC)n3)CC2)C1=O ZINC000982084280 751553011 /nfs/dbraw/zinc/55/30/11/751553011.db2.gz NDLHWYXFPWSRBD-INIZCTEOSA-N 1 2 345.447 0.838 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3ccn(CC)n3)CC2)C1=O ZINC000982084280 751553016 /nfs/dbraw/zinc/55/30/16/751553016.db2.gz NDLHWYXFPWSRBD-INIZCTEOSA-N 1 2 345.447 0.838 20 30 ECEDLO CN(C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)c1cncc(C#N)n1 ZINC001058695295 740585346 /nfs/dbraw/zinc/58/53/46/740585346.db2.gz WFPFNZJEOASYJB-CYBMUJFWSA-N 1 2 339.403 0.989 20 30 ECEDLO C#CCNC(=O)CC(=O)N[C@H](CNc1cc[nH+]c(C)n1)CC(C)C ZINC001104928100 740958008 /nfs/dbraw/zinc/95/80/08/740958008.db2.gz HSHAXMNTUJPAFG-AWEZNQCLSA-N 1 2 331.420 0.867 20 30 ECEDLO C#CCCCCC(=O)N1CC(n2cc(C[NH2+][C@H](CC)C(N)=O)nn2)C1 ZINC001105219656 741484606 /nfs/dbraw/zinc/48/46/06/741484606.db2.gz JSSZLIOLEJXZIZ-OAHLLOKOSA-N 1 2 346.435 0.209 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H](Nc1[nH+]cnc2c1cnn2C)C(C)C ZINC001105224484 741504947 /nfs/dbraw/zinc/50/49/47/741504947.db2.gz GCZMIBXKZDVDIY-CQSZACIVSA-N 1 2 344.419 0.956 20 30 ECEDLO C=CCN1CC[C@H]([NH2+]C2CCC(NC(=O)c3[nH]ncc3F)CC2)C1=O ZINC001026555172 741553831 /nfs/dbraw/zinc/55/38/31/741553831.db2.gz NGDFNJQNFABDOJ-YIZWMMSDSA-N 1 2 349.410 0.966 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001105249600 741558664 /nfs/dbraw/zinc/55/86/64/741558664.db2.gz XLYBZQRWEWMLJI-NSHDSACASA-N 1 2 334.424 0.227 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3ccnn3C)C2)nn1 ZINC001105252563 741562463 /nfs/dbraw/zinc/56/24/63/741562463.db2.gz XMHWDABITQTXLO-UHFFFAOYSA-N 1 2 341.419 0.141 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)nnn3CC)C2)nn1 ZINC001105256400 741576627 /nfs/dbraw/zinc/57/66/27/741576627.db2.gz BTGKBYMHJVUNGH-UHFFFAOYSA-N 1 2 342.407 0.008 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cc(C)on3)C2)C1=O ZINC001006671676 751649895 /nfs/dbraw/zinc/64/98/95/751649895.db2.gz NPDIRVGZTXZZKD-HIFRSBDPSA-N 1 2 332.404 0.964 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cc(C)on3)C2)C1=O ZINC001006671676 751649899 /nfs/dbraw/zinc/64/98/99/751649899.db2.gz NPDIRVGZTXZZKD-HIFRSBDPSA-N 1 2 332.404 0.964 20 30 ECEDLO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001026618279 741619215 /nfs/dbraw/zinc/61/92/15/741619215.db2.gz UGLFHKUFYXNFHK-FRFSOERESA-N 1 2 340.427 0.822 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](OC)[C@@H](C)CC)C2)nn1 ZINC001105275439 741621914 /nfs/dbraw/zinc/62/19/14/741621914.db2.gz QEKUDOVKUWIYNR-XJKSGUPXSA-N 1 2 333.436 0.835 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)c2[nH]c(=O)[nH]c2C)C1=O ZINC001038374077 741625613 /nfs/dbraw/zinc/62/56/13/741625613.db2.gz MSLGEYOSUNVRIE-NEPJUHHUSA-N 1 2 333.392 0.015 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)c2[nH]c(=O)[nH]c2C)C1=O ZINC001038374077 741625614 /nfs/dbraw/zinc/62/56/14/741625614.db2.gz MSLGEYOSUNVRIE-NEPJUHHUSA-N 1 2 333.392 0.015 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3coc(OCC)n3)C2)nn1 ZINC001105276696 741630411 /nfs/dbraw/zinc/63/04/11/741630411.db2.gz RAUCPVDPBPRCLB-UHFFFAOYSA-N 1 2 330.348 0.085 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)COC)C2)nn1 ZINC001105283912 741642371 /nfs/dbraw/zinc/64/23/71/741642371.db2.gz ZHBYNQSZNIFZGH-UHFFFAOYSA-N 1 2 349.435 0.073 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@](C)(C=C)CCOC)C2)nn1 ZINC001105292575 741654160 /nfs/dbraw/zinc/65/41/60/741654160.db2.gz VTWQZGCMFKKGOB-QGZVFWFLSA-N 1 2 331.420 0.613 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)C(F)(F)F)C2)nn1 ZINC001105301193 741685105 /nfs/dbraw/zinc/68/51/05/741685105.db2.gz KRNQBGFZKUPMDJ-JTQLQIEISA-N 1 2 329.326 0.973 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC(n2cc(C[NH2+]CC(=O)N(C)C)nn2)C1 ZINC001105305954 741702531 /nfs/dbraw/zinc/70/25/31/741702531.db2.gz VAPFZNDALKUFMZ-STQMWFEESA-N 1 2 348.451 0.297 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccn(CC)c3C)C2)nn1 ZINC001105312168 741721476 /nfs/dbraw/zinc/72/14/76/741721476.db2.gz DUQHKXLZGUNNJJ-UHFFFAOYSA-N 1 2 326.404 0.828 20 30 ECEDLO CC(C)[C@@H](CNC(=O)CCc1[nH+]ccn1C)Nc1ccnc(C#N)n1 ZINC001105315048 741744155 /nfs/dbraw/zinc/74/41/55/741744155.db2.gz SGWDPNFTCDCKDU-CYBMUJFWSA-N 1 2 341.419 0.689 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3cc(F)ccc3F)C2)nn1 ZINC001105315330 741744555 /nfs/dbraw/zinc/74/45/55/741744555.db2.gz HYXUCIFYTFMJSB-UHFFFAOYSA-N 1 2 345.353 0.905 20 30 ECEDLO Cn1nncc1C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC000974471599 741776992 /nfs/dbraw/zinc/77/69/92/741776992.db2.gz IBFVVMMFWNRAFU-CQSZACIVSA-N 1 2 327.392 0.655 20 30 ECEDLO Cn1nncc1C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC000974471599 741776993 /nfs/dbraw/zinc/77/69/93/741776993.db2.gz IBFVVMMFWNRAFU-CQSZACIVSA-N 1 2 327.392 0.655 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)[C@@H]3C2)nc1 ZINC000974918373 742357822 /nfs/dbraw/zinc/35/78/22/742357822.db2.gz QVXCQGAJGYKLBB-GDBMZVCRSA-N 1 2 349.394 0.702 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CO[C@H]3CCCC[C@@H]3C)C2)nn1 ZINC001105336511 742388307 /nfs/dbraw/zinc/38/83/07/742388307.db2.gz GIQJDBMKKGEITB-YOEHRIQHSA-N 1 2 345.447 0.980 20 30 ECEDLO N#Cc1nccc(N2C[C@H]3CC[C@@H](C2)N3C(=O)CCc2[nH]cc[nH+]2)n1 ZINC001058751984 742793440 /nfs/dbraw/zinc/79/34/40/742793440.db2.gz DKFJNHMZYYOMOP-BETUJISGSA-N 1 2 337.387 0.884 20 30 ECEDLO N#Cc1ccc(N2C[C@H]3CC[C@@H](C2)N3C(=O)CCc2[nH]cc[nH+]2)nn1 ZINC001058752114 742817797 /nfs/dbraw/zinc/81/77/97/742817797.db2.gz KPMCKRXKJFJRLM-OKILXGFUSA-N 1 2 337.387 0.884 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N(C)CCN(C)c1ncnc2c1C[N@H+](C)CC2 ZINC001105379553 742991243 /nfs/dbraw/zinc/99/12/43/742991243.db2.gz AEBGHGIREDLZBI-SFHVURJKSA-N 1 2 347.463 0.686 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N(C)CCN(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC001105379553 742991245 /nfs/dbraw/zinc/99/12/45/742991245.db2.gz AEBGHGIREDLZBI-SFHVURJKSA-N 1 2 347.463 0.686 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCCS2(=O)=O)CC1 ZINC000998187725 744038552 /nfs/dbraw/zinc/03/85/52/744038552.db2.gz FYPNICYDTBCGAI-LSDHHAIUSA-N 1 2 326.462 0.900 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCCS2(=O)=O)CC1 ZINC000998187725 744038556 /nfs/dbraw/zinc/03/85/56/744038556.db2.gz FYPNICYDTBCGAI-LSDHHAIUSA-N 1 2 326.462 0.900 20 30 ECEDLO C#CC[NH2+][C@@H]1CN(C(=O)CCc2cnn[nH]2)CC[C@@H]1C(F)(F)F ZINC000998299045 744106462 /nfs/dbraw/zinc/10/64/62/744106462.db2.gz CIDAHYNUEUWTKW-NWDGAFQWSA-N 1 2 329.326 0.740 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc(C4CC4)nc3)C2)nn1 ZINC001105338878 744117677 /nfs/dbraw/zinc/11/76/77/744117677.db2.gz CVYPGMPKEGNQTM-UHFFFAOYSA-N 1 2 337.387 0.365 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(CC)n2)C1 ZINC000998921932 744407239 /nfs/dbraw/zinc/40/72/39/744407239.db2.gz BBAPLKJILSECSS-PREGVCBESA-N 1 2 344.463 0.475 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@H]32)cn1 ZINC000976916884 744476054 /nfs/dbraw/zinc/47/60/54/744476054.db2.gz QEIZKHVIKJWSSV-HWWDLCQESA-N 1 2 349.394 0.605 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnsn3)C2)nn1 ZINC001098625760 744527257 /nfs/dbraw/zinc/52/72/57/744527257.db2.gz HOUGZZYXMOEWTG-GFCCVEGCSA-N 1 2 331.405 0.330 20 30 ECEDLO C#Cc1cncc(C(=O)NC2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)c1 ZINC000999319485 744623333 /nfs/dbraw/zinc/62/33/33/744623333.db2.gz JVAHQCJSQYDYNQ-OAHLLOKOSA-N 1 2 349.394 0.847 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2[C@H]3CN(C(=O)Cc4[nH]c[nH+]c4C)C[C@H]32)c1 ZINC000977158850 744726896 /nfs/dbraw/zinc/72/68/96/744726896.db2.gz UICAVYPJEBYERB-HWWDLCQESA-N 1 2 349.394 0.524 20 30 ECEDLO C#CCC[N@@H+]1C[C@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)C(C)(C)C1 ZINC000977309781 744853016 /nfs/dbraw/zinc/85/30/16/744853016.db2.gz MFVMSRSBRQDOFP-XJKSGUPXSA-N 1 2 326.462 0.804 20 30 ECEDLO C#CCC[N@H+]1C[C@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)C(C)(C)C1 ZINC000977309781 744853019 /nfs/dbraw/zinc/85/30/19/744853019.db2.gz MFVMSRSBRQDOFP-XJKSGUPXSA-N 1 2 326.462 0.804 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001027528824 745097484 /nfs/dbraw/zinc/09/74/84/745097484.db2.gz BJRRUSDPCFRXCQ-SNVBAGLBSA-N 1 2 343.229 0.655 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001027528824 745097490 /nfs/dbraw/zinc/09/74/90/745097490.db2.gz BJRRUSDPCFRXCQ-SNVBAGLBSA-N 1 2 343.229 0.655 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC(C)(C)C)[C@H](OC)C1 ZINC001211864566 745420818 /nfs/dbraw/zinc/42/08/18/745420818.db2.gz NDUYPDZNYRZXOO-BFHYXJOUSA-N 1 2 325.453 0.929 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC(C)(C)C)[C@H](OC)C1 ZINC001211864566 745420821 /nfs/dbraw/zinc/42/08/21/745420821.db2.gz NDUYPDZNYRZXOO-BFHYXJOUSA-N 1 2 325.453 0.929 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001029245679 745432080 /nfs/dbraw/zinc/43/20/80/745432080.db2.gz YUOFDFFXHWDPQK-ZQDZILKHSA-N 1 2 339.461 0.646 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001029245679 745432082 /nfs/dbraw/zinc/43/20/82/745432082.db2.gz YUOFDFFXHWDPQK-ZQDZILKHSA-N 1 2 339.461 0.646 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)NC ZINC001029312133 745680110 /nfs/dbraw/zinc/68/01/10/745680110.db2.gz RTINWPQKFQFASH-RBZJEDDUSA-N 1 2 335.448 0.777 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)NC ZINC001029312133 745680113 /nfs/dbraw/zinc/68/01/13/745680113.db2.gz RTINWPQKFQFASH-RBZJEDDUSA-N 1 2 335.448 0.777 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1CCS(C)(=O)=O ZINC001087535249 745820262 /nfs/dbraw/zinc/82/02/62/745820262.db2.gz ZHQHFSBJVWMZPR-GXTWGEPZSA-N 1 2 338.433 0.514 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1CCS(C)(=O)=O ZINC001087535249 745820267 /nfs/dbraw/zinc/82/02/67/745820267.db2.gz ZHQHFSBJVWMZPR-GXTWGEPZSA-N 1 2 338.433 0.514 20 30 ECEDLO N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)n1 ZINC001059331389 745971035 /nfs/dbraw/zinc/97/10/35/745971035.db2.gz TUPOWSDMUQCLRA-JHJVBQTASA-N 1 2 337.387 0.866 20 30 ECEDLO N#Cc1nccc(N[C@H]2C[C@H](NC(=O)[C@H]3CCc4c[nH+]cn4C3)C2)n1 ZINC001059339567 746022743 /nfs/dbraw/zinc/02/27/43/746022743.db2.gz YKDLDLHMNSGPKY-AVGNSLFASA-N 1 2 337.387 0.288 20 30 ECEDLO C#Cc1cncc(C(=O)NCC2=CC[N@H+](Cc3cnnn3C)CC2)c1 ZINC001001129209 746098930 /nfs/dbraw/zinc/09/89/30/746098930.db2.gz RVGLZBBFPSFWIA-UHFFFAOYSA-N 1 2 336.399 0.754 20 30 ECEDLO C#Cc1cncc(C(=O)NCC2=CC[N@@H+](Cc3cnnn3C)CC2)c1 ZINC001001129209 746098932 /nfs/dbraw/zinc/09/89/32/746098932.db2.gz RVGLZBBFPSFWIA-UHFFFAOYSA-N 1 2 336.399 0.754 20 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/nfs/dbraw/zinc/28/87/36/746288736.db2.gz WXICUPADLVIHGW-LZWOXQAQSA-N 1 2 326.462 0.946 20 30 ECEDLO N#Cc1ccc(C(=O)NCC2CN(C(=O)CCn3cc[nH+]c3)C2)[nH]1 ZINC001001485221 746424084 /nfs/dbraw/zinc/42/40/84/746424084.db2.gz SZDONVYKCCUGAU-UHFFFAOYSA-N 1 2 326.360 0.361 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001001516434 746454295 /nfs/dbraw/zinc/45/42/95/746454295.db2.gz ZQXFARGGUSHXSJ-LLVKDONJSA-N 1 2 340.387 0.676 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001001516434 746454299 /nfs/dbraw/zinc/45/42/99/746454299.db2.gz ZQXFARGGUSHXSJ-LLVKDONJSA-N 1 2 340.387 0.676 20 30 ECEDLO Cc1cc(NC(=O)C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]3C2)no1 ZINC001087911339 746645475 /nfs/dbraw/zinc/64/54/75/746645475.db2.gz RIDIJGYYNORTLL-YUTCNCBUSA-N 1 2 345.403 0.862 20 30 ECEDLO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]3C2)no1 ZINC001087911339 746645487 /nfs/dbraw/zinc/64/54/87/746645487.db2.gz 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335.448 0.907 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3ncccc3O)C2)C1=O ZINC001007187908 752172963 /nfs/dbraw/zinc/17/29/63/752172963.db2.gz HRWOKRXCBPXTJR-KGLIPLIRSA-N 1 2 344.415 0.768 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3ncccc3O)C2)C1=O ZINC001007187908 752172970 /nfs/dbraw/zinc/17/29/70/752172970.db2.gz HRWOKRXCBPXTJR-KGLIPLIRSA-N 1 2 344.415 0.768 20 30 ECEDLO Cc1nnc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)o1 ZINC000979292640 747526703 /nfs/dbraw/zinc/52/67/03/747526703.db2.gz LZUUIYNHOVLWQA-HZMBPMFUSA-N 1 2 344.375 0.597 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CCCO3)[C@@H](O)C2)cc1F ZINC001083326368 752200064 /nfs/dbraw/zinc/20/00/64/752200064.db2.gz BAWAVIXHRWDOPW-OWCLPIDISA-N 1 2 333.363 0.538 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CCCO3)[C@@H](O)C2)cc1F ZINC001083326368 752200065 /nfs/dbraw/zinc/20/00/65/752200065.db2.gz BAWAVIXHRWDOPW-OWCLPIDISA-N 1 2 333.363 0.538 20 30 ECEDLO C=CCOc1ccc(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(N)=O)cc1 ZINC001029602018 747868282 /nfs/dbraw/zinc/86/82/82/747868282.db2.gz YJZPXFIRUBKFRB-IYBDPMFKSA-N 1 2 343.427 0.954 20 30 ECEDLO C=CCOc1ccc(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)cc1 ZINC001029602018 747868291 /nfs/dbraw/zinc/86/82/91/747868291.db2.gz YJZPXFIRUBKFRB-IYBDPMFKSA-N 1 2 343.427 0.954 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1)C(=O)c1ccc(C#N)[nH]1 ZINC001002891368 747926135 /nfs/dbraw/zinc/92/61/35/747926135.db2.gz WDQLCVMCUFABMX-ZDUSSCGKSA-N 1 2 340.387 0.915 20 30 ECEDLO CN(C)c1noc(C[N@H+](C)C[C@@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC001029733772 748176170 /nfs/dbraw/zinc/17/61/70/748176170.db2.gz ODWVXCZKUXKZAH-AWEZNQCLSA-N 1 2 331.420 0.829 20 30 ECEDLO CN(C)c1noc(C[N@@H+](C)C[C@@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC001029733772 748176177 /nfs/dbraw/zinc/17/61/77/748176177.db2.gz ODWVXCZKUXKZAH-AWEZNQCLSA-N 1 2 331.420 0.829 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cnnn3CC)C2)C1=O ZINC001007282138 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N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)C2CS(=O)(=O)C2)cc1 ZINC001027903112 749265514 /nfs/dbraw/zinc/26/55/14/749265514.db2.gz BODBVXCXIYMLTP-MRXNPFEDSA-N 1 2 347.440 0.683 20 30 ECEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001027918713 749408287 /nfs/dbraw/zinc/40/82/87/749408287.db2.gz RWHPPPHZHPOMGY-NEPJUHHUSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001027918713 749408299 /nfs/dbraw/zinc/40/82/99/749408299.db2.gz RWHPPPHZHPOMGY-NEPJUHHUSA-N 1 2 344.253 0.954 20 30 ECEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cc(C(N)=O)c[nH]2)CC1 ZINC001004586438 749657854 /nfs/dbraw/zinc/65/78/54/749657854.db2.gz SGGMQZSRYGIIED-HNNXBMFYSA-N 1 2 329.404 0.954 20 30 ECEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cc(C(N)=O)c[nH]2)CC1 ZINC001004586438 749657858 /nfs/dbraw/zinc/65/78/58/749657858.db2.gz SGGMQZSRYGIIED-HNNXBMFYSA-N 1 2 329.404 0.954 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@@H]2C1 ZINC000986499080 749978299 /nfs/dbraw/zinc/97/82/99/749978299.db2.gz TUJVMUSUFKIYSC-ZNMIVQPWSA-N 1 2 343.431 0.819 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)Cc3ccn[nH]3)CC2)C1=O ZINC000980885385 750305697 /nfs/dbraw/zinc/30/56/97/750305697.db2.gz UGIKHLUUZLJSSD-OAHLLOKOSA-N 1 2 331.420 0.273 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)Cc3ccn[nH]3)CC2)C1=O ZINC000980885385 750305704 /nfs/dbraw/zinc/30/57/04/750305704.db2.gz UGIKHLUUZLJSSD-OAHLLOKOSA-N 1 2 331.420 0.273 20 30 ECEDLO Cc1nc(N(C)C)nc(N[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)[nH+]1 ZINC001058856008 750334515 /nfs/dbraw/zinc/33/45/15/750334515.db2.gz QLUOKSQIGOKZHC-LBPRGKRZSA-N 1 2 340.391 0.772 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3n[nH]c(C)c3C)C2)nn1 ZINC001098640107 750467667 /nfs/dbraw/zinc/46/76/67/750467667.db2.gz DKBPAWHLDKKBPE-CQSZACIVSA-N 1 2 327.392 0.428 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nc(CC)no3)[C@H]2C)nn1 ZINC000987131204 750516649 /nfs/dbraw/zinc/51/66/49/750516649.db2.gz CEFQUJFRVWEAAE-VXGBXAGGSA-N 1 2 345.407 0.802 20 30 ECEDLO C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC000981396615 750660759 /nfs/dbraw/zinc/66/07/59/750660759.db2.gz XDBFCEDILBHPMR-OLZOCXBDSA-N 1 2 344.419 0.664 20 30 ECEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCNC2=O)CC1 ZINC001005817144 750676581 /nfs/dbraw/zinc/67/65/81/750676581.db2.gz AKLVYVGJQYHMOO-GFCCVEGCSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(C)C[N@@H+]1CCCN(C(=O)C2CC3(C2)CS(=O)(=O)C3)CC1 ZINC000981446304 750706027 /nfs/dbraw/zinc/70/60/27/750706027.db2.gz BDITYOWKCHRGLU-UHFFFAOYSA-N 1 2 326.462 0.922 20 30 ECEDLO C=C(C)C[N@H+]1CCCN(C(=O)C2CC3(C2)CS(=O)(=O)C3)CC1 ZINC000981446304 750706033 /nfs/dbraw/zinc/70/60/33/750706033.db2.gz BDITYOWKCHRGLU-UHFFFAOYSA-N 1 2 326.462 0.922 20 30 ECEDLO C=C(Br)C[NH2+][C@@H]1CCN(C(=O)Cc2ncn[nH]2)[C@H]1C ZINC000987323176 750710765 /nfs/dbraw/zinc/71/07/65/750710765.db2.gz UZEPBYWOILMYQF-VHSXEESVSA-N 1 2 328.214 0.835 20 30 ECEDLO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001005870613 750748407 /nfs/dbraw/zinc/74/84/07/750748407.db2.gz QDPWBHVFISSGQZ-NSHDSACASA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001005870613 750748411 /nfs/dbraw/zinc/74/84/11/750748411.db2.gz QDPWBHVFISSGQZ-NSHDSACASA-N 1 2 340.387 0.819 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001028101917 750802410 /nfs/dbraw/zinc/80/24/10/750802410.db2.gz STORTYQYJYCKRF-JTQLQIEISA-N 1 2 341.209 0.873 20 30 ECEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001028101917 750802417 /nfs/dbraw/zinc/80/24/17/750802417.db2.gz STORTYQYJYCKRF-JTQLQIEISA-N 1 2 341.209 0.873 20 30 ECEDLO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCc4[nH]cnc4C3)C2)nn1 ZINC001105357899 751015597 /nfs/dbraw/zinc/01/55/97/751015597.db2.gz MQBVGHYRDGHVJZ-LBPRGKRZSA-N 1 2 341.419 0.465 20 30 ECEDLO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)nn1 ZINC001105357899 751015604 /nfs/dbraw/zinc/01/56/04/751015604.db2.gz MQBVGHYRDGHVJZ-LBPRGKRZSA-N 1 2 341.419 0.465 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)CCn1cc[nH+]c1 ZINC000987647159 751052847 /nfs/dbraw/zinc/05/28/47/751052847.db2.gz NTJUJPWBNCUKCZ-DOMZBBRYSA-N 1 2 340.387 0.892 20 30 ECEDLO C=CCC[NH+]1CCC(N(C)C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001006149719 751073150 /nfs/dbraw/zinc/07/31/50/751073150.db2.gz BTECJFNQPKYSBF-UHFFFAOYSA-N 1 2 344.419 0.570 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(Cl)no3)C2)nn1 ZINC001105366528 752463825 /nfs/dbraw/zinc/46/38/25/752463825.db2.gz UXJHPEPUBYGOJP-UHFFFAOYSA-N 1 2 334.767 0.730 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C)n[nH]2)[C@@H]1C ZINC000988738424 752641073 /nfs/dbraw/zinc/64/10/73/752641073.db2.gz NIHHSHPRZLXUPN-YCPHGPKFSA-N 1 2 343.431 0.535 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C)n[nH]2)[C@@H]1C ZINC000988738424 752641077 /nfs/dbraw/zinc/64/10/77/752641077.db2.gz NIHHSHPRZLXUPN-YCPHGPKFSA-N 1 2 343.431 0.535 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C)[nH]n2)[C@@H]1C ZINC000988738424 752641081 /nfs/dbraw/zinc/64/10/81/752641081.db2.gz NIHHSHPRZLXUPN-YCPHGPKFSA-N 1 2 343.431 0.535 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C)[nH]n2)[C@@H]1C ZINC000988738424 752641084 /nfs/dbraw/zinc/64/10/84/752641084.db2.gz NIHHSHPRZLXUPN-YCPHGPKFSA-N 1 2 343.431 0.535 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2CCCCC2)[C@H](OC)C1 ZINC001211776865 752698039 /nfs/dbraw/zinc/69/80/39/752698039.db2.gz TZWROMJIDHTVIG-NUEKZKHPSA-N 1 2 335.448 0.520 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2CCCCC2)[C@H](OC)C1 ZINC001211776865 752698043 /nfs/dbraw/zinc/69/80/43/752698043.db2.gz TZWROMJIDHTVIG-NUEKZKHPSA-N 1 2 335.448 0.520 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000988772683 752734562 /nfs/dbraw/zinc/73/45/62/752734562.db2.gz QWUIFXMVMFTHOX-YPMHNXCESA-N 1 2 326.360 0.502 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(OC)ccn2)C[C@H]1OC ZINC001212178243 752785663 /nfs/dbraw/zinc/78/56/63/752785663.db2.gz OFNRKWCUHUGGTA-NUJGCVRESA-N 1 2 349.431 0.733 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2cc(OC)ccn2)C[C@H]1OC ZINC001212178243 752785671 /nfs/dbraw/zinc/78/56/71/752785671.db2.gz OFNRKWCUHUGGTA-NUJGCVRESA-N 1 2 349.431 0.733 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cn4ccccc4n3)C2)nn1 ZINC001105369884 753042040 /nfs/dbraw/zinc/04/20/40/753042040.db2.gz PAQSJGXNKUAGSH-UHFFFAOYSA-N 1 2 349.398 0.736 20 30 ECEDLO CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001008021104 753205080 /nfs/dbraw/zinc/20/50/80/753205080.db2.gz KYLUCYQCLXCRCU-CQSZACIVSA-N 1 2 340.387 0.750 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C)cn1 ZINC000989168662 753420927 /nfs/dbraw/zinc/42/09/27/753420927.db2.gz YAMMYQTUFGZBJX-DOMZBBRYSA-N 1 2 337.383 0.748 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cnnn2CC)[C@@H]1C ZINC001088630845 753442724 /nfs/dbraw/zinc/44/27/24/753442724.db2.gz DGBUGMCLMIZRRY-PVAVHDDUSA-N 1 2 344.463 0.475 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cnnn2CC)[C@@H]1C ZINC001088630845 753442731 /nfs/dbraw/zinc/44/27/31/753442731.db2.gz DGBUGMCLMIZRRY-PVAVHDDUSA-N 1 2 344.463 0.475 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C[C@H]2C)cc1 ZINC000989272621 753555470 /nfs/dbraw/zinc/55/54/70/753555470.db2.gz FPBAHCDEUIRZDS-IUODEOHRSA-N 1 2 339.399 0.483 20 30 ECEDLO C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCc3c[nH]cn3)C2)nn1 ZINC001098680740 753583638 /nfs/dbraw/zinc/58/36/38/753583638.db2.gz IRKISZAKXSPINA-HNNXBMFYSA-N 1 2 329.408 0.683 20 30 ECEDLO Cc1ncncc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083350920 753644268 /nfs/dbraw/zinc/64/42/68/753644268.db2.gz IJKHAFAAEIZCSA-SJORKVTESA-N 1 2 337.383 0.632 20 30 ECEDLO Cc1ncncc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083350920 753644272 /nfs/dbraw/zinc/64/42/72/753644272.db2.gz IJKHAFAAEIZCSA-SJORKVTESA-N 1 2 337.383 0.632 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CCOC3)[C@@H](O)C2)cc1F ZINC001083361616 753679201 /nfs/dbraw/zinc/67/92/01/753679201.db2.gz WHWSUKPFBJUNEB-IMJJTQAJSA-N 1 2 333.363 0.395 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CCOC3)[C@@H](O)C2)cc1F ZINC001083361616 753679208 /nfs/dbraw/zinc/67/92/08/753679208.db2.gz WHWSUKPFBJUNEB-IMJJTQAJSA-N 1 2 333.363 0.395 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3conc3C)C2)C1=O ZINC001008393031 753691215 /nfs/dbraw/zinc/69/12/15/753691215.db2.gz HVBMNNGAQBLACD-UKRRQHHQSA-N 1 2 332.404 0.964 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3conc3C)C2)C1=O ZINC001008393031 753691219 /nfs/dbraw/zinc/69/12/19/753691219.db2.gz HVBMNNGAQBLACD-UKRRQHHQSA-N 1 2 332.404 0.964 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001059971520 753719172 /nfs/dbraw/zinc/71/91/72/753719172.db2.gz CFPPQXFHSPMWRO-GJZGRUSLSA-N 1 2 346.431 0.356 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ocnc3C)C2)nn1 ZINC001098649971 753728335 /nfs/dbraw/zinc/72/83/35/753728335.db2.gz XENYTCQENKGMFV-CQSZACIVSA-N 1 2 328.376 0.775 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001059973370 753761956 /nfs/dbraw/zinc/76/19/56/753761956.db2.gz WCCCUUPQDYHXFW-RDTXWAMCSA-N 1 2 348.447 0.645 20 30 ECEDLO Cc1cnc([C@@H](C)[N@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)cn1 ZINC001083392556 753793362 /nfs/dbraw/zinc/79/33/62/753793362.db2.gz OGOKLBMTVYEBTR-LYRGGWFBSA-N 1 2 340.387 0.521 20 30 ECEDLO Cc1cnc([C@@H](C)[N@@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)cn1 ZINC001083392556 753793367 /nfs/dbraw/zinc/79/33/67/753793367.db2.gz OGOKLBMTVYEBTR-LYRGGWFBSA-N 1 2 340.387 0.521 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@@H]2O)c1 ZINC001083392412 753793679 /nfs/dbraw/zinc/79/36/79/753793679.db2.gz GSOIXGFVWXMYQO-KGLIPLIRSA-N 1 2 348.794 0.211 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@@H]2O)c1 ZINC001083392412 753793686 /nfs/dbraw/zinc/79/36/86/753793686.db2.gz GSOIXGFVWXMYQO-KGLIPLIRSA-N 1 2 348.794 0.211 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3cscc3C)[C@@H](O)C2)C1=O ZINC001083393461 753798377 /nfs/dbraw/zinc/79/83/77/753798377.db2.gz XCIUQDHUEBYSAW-KFWWJZLASA-N 1 2 349.456 0.618 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3cscc3C)[C@@H](O)C2)C1=O ZINC001083393461 753798382 /nfs/dbraw/zinc/79/83/82/753798382.db2.gz XCIUQDHUEBYSAW-KFWWJZLASA-N 1 2 349.456 0.618 20 30 ECEDLO COCCN(CCNC(=O)Cc1[nH]c[nH+]c1C)c1ccnc(C#N)n1 ZINC001126394814 753945472 /nfs/dbraw/zinc/94/54/72/753945472.db2.gz GXLUYDHRCZUMDA-UHFFFAOYSA-N 1 2 343.391 0.192 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1ncnc2[nH]cnc21 ZINC001105599117 753969825 /nfs/dbraw/zinc/96/98/25/753969825.db2.gz ILTDVQDWAJMGAW-ZDUSSCGKSA-N 1 2 341.419 0.345 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)c1ncnc2[nH]cnc21 ZINC001105599117 753969830 /nfs/dbraw/zinc/96/98/30/753969830.db2.gz ILTDVQDWAJMGAW-ZDUSSCGKSA-N 1 2 341.419 0.345 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3csnn3)C[C@H]2C)nn1 ZINC000989538018 754097394 /nfs/dbraw/zinc/09/73/94/754097394.db2.gz ZKWRXKAFJQNCQC-GHMZBOCLSA-N 1 2 333.421 0.708 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)nc1 ZINC000982932730 754232700 /nfs/dbraw/zinc/23/27/00/754232700.db2.gz GAFQCWMOISVJSQ-HNNXBMFYSA-N 1 2 337.383 0.538 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000982935084 754238671 /nfs/dbraw/zinc/23/86/71/754238671.db2.gz MHGZYEVQYFSZMM-KFWWJZLASA-N 1 2 332.404 0.439 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001009257509 754714855 /nfs/dbraw/zinc/71/48/55/754714855.db2.gz DWKZOEVMPXCRCC-KBPBESRZSA-N 1 2 344.415 0.422 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001009257509 754714859 /nfs/dbraw/zinc/71/48/59/754714859.db2.gz DWKZOEVMPXCRCC-KBPBESRZSA-N 1 2 344.415 0.422 20 30 ECEDLO Cc1nnc([C@@H](C)[NH2+]C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)o1 ZINC001051554404 762328221 /nfs/dbraw/zinc/32/82/21/762328221.db2.gz DWBGEZOOLRWQOK-MFKMUULPSA-N 1 2 344.375 0.770 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC000983184302 754812289 /nfs/dbraw/zinc/81/22/89/754812289.db2.gz MKCHMWSXNACYGF-CYBMUJFWSA-N 1 2 337.383 0.607 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000983187374 754818279 /nfs/dbraw/zinc/81/82/79/754818279.db2.gz YRTGEKPUQOLLFE-AWEZNQCLSA-N 1 2 337.383 0.607 20 30 ECEDLO N#Cc1nccc(NC[C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)n1 ZINC001060026029 755040824 /nfs/dbraw/zinc/04/08/24/755040824.db2.gz XFSNWOGNIFEWEC-CYBMUJFWSA-N 1 2 339.403 0.777 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cnn(CC)n2)C1 ZINC001028808936 755200671 /nfs/dbraw/zinc/20/06/71/755200671.db2.gz HVAPZFNIKYWONS-BMFZPTHFSA-N 1 2 333.436 0.827 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cnn(CC)n2)C1 ZINC001028808936 755200674 /nfs/dbraw/zinc/20/06/74/755200674.db2.gz HVAPZFNIKYWONS-BMFZPTHFSA-N 1 2 333.436 0.827 20 30 ECEDLO N#Cc1cncc(NC[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC001060038739 755256801 /nfs/dbraw/zinc/25/68/01/755256801.db2.gz ILNOBJRCBZRSIX-CYBMUJFWSA-N 1 2 325.376 0.895 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3nnc(C)[nH]3)C2)nn1 ZINC001028858259 755323380 /nfs/dbraw/zinc/32/33/80/755323380.db2.gz OXBWYWPDTXMDRC-CYBMUJFWSA-N 1 2 344.423 0.533 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3nnc(C)[nH]3)C2)nn1 ZINC001028858259 755323385 /nfs/dbraw/zinc/32/33/85/755323385.db2.gz OXBWYWPDTXMDRC-CYBMUJFWSA-N 1 2 344.423 0.533 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H](C)C3CC3)C2)nn1 ZINC001105379406 755325388 /nfs/dbraw/zinc/32/53/88/755325388.db2.gz VDRBZJXOZSVHJA-AWEZNQCLSA-N 1 2 345.447 0.837 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@H](CNc2ccc(C#N)nn2)C1 ZINC001060041165 755328626 /nfs/dbraw/zinc/32/86/26/755328626.db2.gz QBSDFCVERKYYCP-CYBMUJFWSA-N 1 2 339.403 0.975 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@H](Nc2cnc(C#N)cn2)C1 ZINC001059127569 755398985 /nfs/dbraw/zinc/39/89/85/755398985.db2.gz OZPNFMKEWKYVSV-LBPRGKRZSA-N 1 2 325.376 0.727 20 30 ECEDLO COc1cc(-c2noc(C[NH2+]CCNC(=O)C#CC(C)C)n2)ncn1 ZINC001126815380 755509320 /nfs/dbraw/zinc/50/93/20/755509320.db2.gz BOMBUBJDJAKKEV-UHFFFAOYSA-N 1 2 344.375 0.400 20 30 ECEDLO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2coc(S(C)(=O)=O)c2)[C@@H](O)C1 ZINC001083474251 755593936 /nfs/dbraw/zinc/59/39/36/755593936.db2.gz WIHYXSRDZNCWPU-OLZOCXBDSA-N 1 2 342.417 0.424 20 30 ECEDLO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2coc(S(C)(=O)=O)c2)[C@@H](O)C1 ZINC001083474251 755593940 /nfs/dbraw/zinc/59/39/40/755593940.db2.gz WIHYXSRDZNCWPU-OLZOCXBDSA-N 1 2 342.417 0.424 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001088793594 755708538 /nfs/dbraw/zinc/70/85/38/755708538.db2.gz MCOCPUZFIIIIDT-RLCCDNCMSA-N 1 2 344.390 0.912 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001088793594 755708542 /nfs/dbraw/zinc/70/85/42/755708542.db2.gz MCOCPUZFIIIIDT-RLCCDNCMSA-N 1 2 344.390 0.912 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnnc(C)c3)C2)nn1 ZINC001098661282 756027421 /nfs/dbraw/zinc/02/74/21/756027421.db2.gz IMZGFVNWCDSHTI-OAHLLOKOSA-N 1 2 325.376 0.187 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001098661310 756035233 /nfs/dbraw/zinc/03/52/33/756035233.db2.gz JLUSTJYJXQGLPK-MRXNPFEDSA-N 1 2 337.387 0.678 20 30 ECEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCC(=O)N1 ZINC001010382042 756065397 /nfs/dbraw/zinc/06/53/97/756065397.db2.gz YYPINYNOPYPNTL-JKSUJKDBSA-N 1 2 329.375 0.646 20 30 ECEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCC(=O)N1 ZINC001010382042 756065406 /nfs/dbraw/zinc/06/54/06/756065406.db2.gz YYPINYNOPYPNTL-JKSUJKDBSA-N 1 2 329.375 0.646 20 30 ECEDLO C#CCCCC(=O)NCC[C@H](C)NC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001076296900 756341621 /nfs/dbraw/zinc/34/16/21/756341621.db2.gz ZODPDCLIYHNLTF-YJBOKZPZSA-N 1 2 349.475 0.912 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CN3CCOCC3)C2)c(F)c1 ZINC001010667584 756372776 /nfs/dbraw/zinc/37/27/76/756372776.db2.gz IIKLPTQRRUGYMN-MRXNPFEDSA-N 1 2 346.406 0.720 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CN3CCOCC3)C2)c(F)c1 ZINC001010667584 756372779 /nfs/dbraw/zinc/37/27/79/756372779.db2.gz IIKLPTQRRUGYMN-MRXNPFEDSA-N 1 2 346.406 0.720 20 30 ECEDLO CO[C@H](C)c1noc(C[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC001051610915 762463025 /nfs/dbraw/zinc/46/30/25/762463025.db2.gz FQCFFLFFUXRMKP-OCCSQVGLSA-N 1 2 348.403 0.507 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010691417 756403739 /nfs/dbraw/zinc/40/37/39/756403739.db2.gz LBUHGHZMNKXMKZ-DOTOQJQBSA-N 1 2 346.406 0.718 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010691417 756403747 /nfs/dbraw/zinc/40/37/47/756403747.db2.gz LBUHGHZMNKXMKZ-DOTOQJQBSA-N 1 2 346.406 0.718 20 30 ECEDLO Cn1oc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)cc1=O ZINC001010775178 756506752 /nfs/dbraw/zinc/50/67/52/756506752.db2.gz WBLRUTFHLWPYTB-CYBMUJFWSA-N 1 2 344.346 0.993 20 30 ECEDLO Cn1oc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)cc1=O ZINC001010775178 756506758 /nfs/dbraw/zinc/50/67/58/756506758.db2.gz WBLRUTFHLWPYTB-CYBMUJFWSA-N 1 2 344.346 0.993 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC001010850679 756600236 /nfs/dbraw/zinc/60/02/36/756600236.db2.gz KJYXEHMAFGYQAJ-CQSZACIVSA-N 1 2 340.387 0.700 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC001010850679 756600237 /nfs/dbraw/zinc/60/02/37/756600237.db2.gz KJYXEHMAFGYQAJ-CQSZACIVSA-N 1 2 340.387 0.700 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001010867405 756616233 /nfs/dbraw/zinc/61/62/33/756616233.db2.gz BAGPYQIWTBVBCE-AWEZNQCLSA-N 1 2 340.387 0.700 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001010867405 756616238 /nfs/dbraw/zinc/61/62/38/756616238.db2.gz BAGPYQIWTBVBCE-AWEZNQCLSA-N 1 2 340.387 0.700 20 30 ECEDLO C[C@H](CC(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1)n1cc[nH+]c1 ZINC000990930617 756878444 /nfs/dbraw/zinc/87/84/44/756878444.db2.gz APMYHKBXAOWHBA-LLVKDONJSA-N 1 2 326.360 0.675 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000990929122 756895318 /nfs/dbraw/zinc/89/53/18/756895318.db2.gz PGJLBNYVSOMAJV-UHFFFAOYSA-N 1 2 339.355 0.473 20 30 ECEDLO C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O)n1cccn1 ZINC001076765572 757019141 /nfs/dbraw/zinc/01/91/41/757019141.db2.gz IUNWMYDZFOSVOO-NILFDRSVSA-N 1 2 345.428 0.739 20 30 ECEDLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O)n1cccn1 ZINC001076765572 757019149 /nfs/dbraw/zinc/01/91/49/757019149.db2.gz IUNWMYDZFOSVOO-NILFDRSVSA-N 1 2 345.428 0.739 20 30 ECEDLO Cc1ocnc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076789387 757151207 /nfs/dbraw/zinc/15/12/07/757151207.db2.gz AIQHJABKKRUKIJ-HUUCEWRRSA-N 1 2 326.356 0.830 20 30 ECEDLO Cc1ocnc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076789387 757151211 /nfs/dbraw/zinc/15/12/11/757151211.db2.gz AIQHJABKKRUKIJ-HUUCEWRRSA-N 1 2 326.356 0.830 20 30 ECEDLO CC(C)C#CC(=O)NCc1cn(C2C[NH+](C[C@H]3CC[C@@H](C)O3)C2)nn1 ZINC001107169757 757208270 /nfs/dbraw/zinc/20/82/70/757208270.db2.gz ROTZVPUVLRYQEU-RHSMWYFYSA-N 1 2 345.447 0.978 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCOC3)C2)s1 ZINC001076824084 757275946 /nfs/dbraw/zinc/27/59/46/757275946.db2.gz VTYWLXMSZZUJLV-NILFDRSVSA-N 1 2 335.429 0.708 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCOC3)C2)s1 ZINC001076824084 757275952 /nfs/dbraw/zinc/27/59/52/757275952.db2.gz VTYWLXMSZZUJLV-NILFDRSVSA-N 1 2 335.429 0.708 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC001011260339 757315268 /nfs/dbraw/zinc/31/52/68/757315268.db2.gz OCAJJYZCMORLDK-HIFRSBDPSA-N 1 2 329.404 0.515 20 30 ECEDLO C=CC(C)(C)CC(=O)N(C)[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1O ZINC001048908001 757360444 /nfs/dbraw/zinc/36/04/44/757360444.db2.gz RZOHGGYVLVQEBG-GJZGRUSLSA-N 1 2 348.447 0.906 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@]3(COC)CCOC3)nn2)C1 ZINC001107189962 757429178 /nfs/dbraw/zinc/42/91/78/757429178.db2.gz JZJIQXNDDUNMAP-QGZVFWFLSA-N 1 2 349.435 0.380 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[C@@H]3CCC(=O)N3C)nn2)C1 ZINC001107190907 757440680 /nfs/dbraw/zinc/44/06/80/757440680.db2.gz HKCKLGXLZHITDP-AWEZNQCLSA-N 1 2 346.435 0.338 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)c1 ZINC001011319641 757504293 /nfs/dbraw/zinc/50/42/93/757504293.db2.gz QIPXYVZNGPPSFN-HZPDHXFCSA-N 1 2 349.394 0.874 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)c1 ZINC001011319641 757504297 /nfs/dbraw/zinc/50/42/97/757504297.db2.gz QIPXYVZNGPPSFN-HZPDHXFCSA-N 1 2 349.394 0.874 20 30 ECEDLO Cc1cncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)c1 ZINC001076907367 757563645 /nfs/dbraw/zinc/56/36/45/757563645.db2.gz MJTJZIYVEGMVPL-HZPDHXFCSA-N 1 2 325.372 0.565 20 30 ECEDLO Cc1cncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)c1 ZINC001076907367 757563652 /nfs/dbraw/zinc/56/36/52/757563652.db2.gz MJTJZIYVEGMVPL-HZPDHXFCSA-N 1 2 325.372 0.565 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4nncs4)C[C@@H]3C2)nn1 ZINC001049103763 757966679 /nfs/dbraw/zinc/96/66/79/757966679.db2.gz UGQKVXFDGSHTAW-TXEJJXNPSA-N 1 2 345.432 0.520 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4nncs4)C[C@@H]3C2)nn1 ZINC001049103763 757966684 /nfs/dbraw/zinc/96/66/84/757966684.db2.gz UGQKVXFDGSHTAW-TXEJJXNPSA-N 1 2 345.432 0.520 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001049111775 757989355 /nfs/dbraw/zinc/98/93/55/757989355.db2.gz SCYSISNZPGKHJA-KBMXLJTQSA-N 1 2 348.447 0.595 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)Cc3c(C)noc3C)nn2)C1 ZINC001107235519 758023118 /nfs/dbraw/zinc/02/31/18/758023118.db2.gz HSDPEVSEEJBHCH-UHFFFAOYSA-N 1 2 330.392 0.785 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCC(=O)N(CC)CC)nn2)C1 ZINC001107238380 758030220 /nfs/dbraw/zinc/03/02/20/758030220.db2.gz UHTFOYGOJBLTHW-UHFFFAOYSA-N 1 2 348.451 0.586 20 30 ECEDLO C=CCO[C@H](C)C(=O)NCc1cn(C2C[NH+](CCOCC)C2)nn1 ZINC001107241125 758042266 /nfs/dbraw/zinc/04/22/66/758042266.db2.gz NMLBOZRBFZYRNW-CYBMUJFWSA-N 1 2 337.424 0.379 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001011646947 758204503 /nfs/dbraw/zinc/20/45/03/758204503.db2.gz BGYZSIMMTJHIDA-CABCVRRESA-N 1 2 332.404 0.225 20 30 ECEDLO C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1O ZINC001049180605 758241075 /nfs/dbraw/zinc/24/10/75/758241075.db2.gz MLADBWZMMBEFCR-GJZGRUSLSA-N 1 2 348.447 0.906 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001011666996 758251790 /nfs/dbraw/zinc/25/17/90/758251790.db2.gz UIOGLLUFXUDTRZ-AAEUAGOBSA-N 1 2 326.360 0.502 20 30 ECEDLO N#Cc1nccc(NC/C=C\CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)n1 ZINC001107390055 758417425 /nfs/dbraw/zinc/41/74/25/758417425.db2.gz RVFPTDXLDNGMJC-UIIMQBOASA-N 1 2 337.387 0.314 20 30 ECEDLO N#Cc1ccc(NC/C=C\CNC(=O)[C@H]2CCc3[nH+]ccn3C2)nn1 ZINC001107393383 758449791 /nfs/dbraw/zinc/44/97/91/758449791.db2.gz CAIBZQSZZSWWNR-FYDYADQUSA-N 1 2 337.387 0.892 20 30 ECEDLO N#Cc1nccnc1NC/C=C/CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001107394389 758451774 /nfs/dbraw/zinc/45/17/74/758451774.db2.gz KYILIQKWRAPCIE-AORQRIRUSA-N 1 2 337.387 0.892 20 30 ECEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)CNC(=O)C3CC3)CC2)C1 ZINC001105691755 758566035 /nfs/dbraw/zinc/56/60/35/758566035.db2.gz WCVKQRVGHFSDBH-UHFFFAOYSA-N 1 2 335.448 0.781 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3cccnc3)on2)C1 ZINC001077603802 758756008 /nfs/dbraw/zinc/75/60/08/758756008.db2.gz KIOLMZQANKESNG-HUUCEWRRSA-N 1 2 326.356 0.535 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3cccnc3)on2)C1 ZINC001077603802 758756013 /nfs/dbraw/zinc/75/60/13/758756013.db2.gz KIOLMZQANKESNG-HUUCEWRRSA-N 1 2 326.356 0.535 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001011855944 758775191 /nfs/dbraw/zinc/77/51/91/758775191.db2.gz LETAUEJBJNWGAQ-AAEUAGOBSA-N 1 2 326.360 0.502 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001011857683 758782788 /nfs/dbraw/zinc/78/27/88/758782788.db2.gz VCQQVOCOYBYXGL-BXUZGUMPSA-N 1 2 326.360 0.502 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)[C@@H]3C2)nc1 ZINC001022522758 758834531 /nfs/dbraw/zinc/83/45/31/758834531.db2.gz JQZAMIDZZWMAJM-GOEBONIOSA-N 1 2 349.394 0.702 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC001077335340 758842527 /nfs/dbraw/zinc/84/25/27/758842527.db2.gz MJHFSIJIAKMHHH-FMKPAKJESA-N 1 2 334.803 0.828 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC001077335340 758842540 /nfs/dbraw/zinc/84/25/40/758842540.db2.gz MJHFSIJIAKMHHH-FMKPAKJESA-N 1 2 334.803 0.828 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001011929858 758978302 /nfs/dbraw/zinc/97/83/02/758978302.db2.gz JFRMUCBBOIXNEL-TZMCWYRMSA-N 1 2 340.387 0.892 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C)c1 ZINC001012010992 759196935 /nfs/dbraw/zinc/19/69/35/759196935.db2.gz FNJIOTWLPKDFAO-SWLSCSKDSA-N 1 2 337.383 0.748 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2C(F)(F)F)[C@@H](O)C1 ZINC001083600658 759236168 /nfs/dbraw/zinc/23/61/68/759236168.db2.gz GRWXNTSRQWHJFT-MNOVXSKESA-N 1 2 330.310 0.237 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2C(F)(F)F)[C@@H](O)C1 ZINC001083600658 759236174 /nfs/dbraw/zinc/23/61/74/759236174.db2.gz GRWXNTSRQWHJFT-MNOVXSKESA-N 1 2 330.310 0.237 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C)c1 ZINC001012053340 759298024 /nfs/dbraw/zinc/29/80/24/759298024.db2.gz WZRWUHTXCWXHIC-BLLLJJGKSA-N 1 2 337.383 0.748 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001012100042 759406626 /nfs/dbraw/zinc/40/66/26/759406626.db2.gz BAQZARYJBUBMJV-GXFFZTMASA-N 1 2 326.360 0.571 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001012101853 759412368 /nfs/dbraw/zinc/41/23/68/759412368.db2.gz MAUCAGLSHHLIQB-HZMBPMFUSA-N 1 2 326.360 0.571 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)[C@@H](O)C1 ZINC001083618012 759438501 /nfs/dbraw/zinc/43/85/01/759438501.db2.gz MJHFSIJIAKMHHH-YCPHGPKFSA-N 1 2 334.803 0.828 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)[C@@H](O)C1 ZINC001083618012 759438505 /nfs/dbraw/zinc/43/85/05/759438505.db2.gz MJHFSIJIAKMHHH-YCPHGPKFSA-N 1 2 334.803 0.828 20 30 ECEDLO N#Cc1cc(C[N@@H+]2C[C@@H](NC(=O)Cc3cnoc3)[C@@H](O)C2)ccc1F ZINC001083719891 767863528 /nfs/dbraw/zinc/86/35/28/767863528.db2.gz AXVQORSNZACVLM-CVEARBPZSA-N 1 2 344.346 0.589 20 30 ECEDLO N#Cc1cc(C[N@H+]2C[C@@H](NC(=O)Cc3cnoc3)[C@@H](O)C2)ccc1F ZINC001083719891 767863535 /nfs/dbraw/zinc/86/35/35/767863535.db2.gz AXVQORSNZACVLM-CVEARBPZSA-N 1 2 344.346 0.589 20 30 ECEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[C@@H](C)NC(N)=O)CC2)C1 ZINC001105707019 759558787 /nfs/dbraw/zinc/55/87/87/759558787.db2.gz JGJYRRXACGBWRE-CYBMUJFWSA-N 1 2 338.452 0.701 20 30 ECEDLO C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001050102940 759706804 /nfs/dbraw/zinc/70/68/04/759706804.db2.gz HZOZTYZDCNADAF-ZIAGYGMSSA-N 1 2 349.460 0.883 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(NC(=O)c3cccc4[nH+]ccn43)C2)cn1 ZINC000995535108 759741184 /nfs/dbraw/zinc/74/11/84/759741184.db2.gz SOJUMTZUHOPUBD-UHFFFAOYSA-N 1 2 345.362 0.965 20 30 ECEDLO CN(C[C@H](O)CN(C)c1ccncc1C#N)C(=O)Cc1[nH]cc[nH+]1 ZINC001125149591 759830913 /nfs/dbraw/zinc/83/09/13/759830913.db2.gz XOTVEKZUCMXUDA-CYBMUJFWSA-N 1 2 328.376 0.175 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](OC)C1 ZINC001212139299 759962755 /nfs/dbraw/zinc/96/27/55/759962755.db2.gz VUJQVGOLYGFLIC-KCPJHIHWSA-N 1 2 345.403 0.006 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](OC)C1 ZINC001212139299 759962757 /nfs/dbraw/zinc/96/27/57/759962757.db2.gz VUJQVGOLYGFLIC-KCPJHIHWSA-N 1 2 345.403 0.006 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](OCC)C3CC3)C2)nn1 ZINC001098672800 760002180 /nfs/dbraw/zinc/00/21/80/760002180.db2.gz JBZBNVZYYARVRW-SJORKVTESA-N 1 2 345.447 0.980 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H](C)N(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001012490951 760077865 /nfs/dbraw/zinc/07/78/65/760077865.db2.gz XELZNDCOGABMBH-GWCFXTLKSA-N 1 2 340.387 0.880 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001012497151 760094766 /nfs/dbraw/zinc/09/47/66/760094766.db2.gz INSNHDOBVNHYLE-QMTHXVAHSA-N 1 2 340.387 0.880 20 30 ECEDLO O=C(C#CC1CC1)N1CC2(C1)CC[NH+](CC(=O)Nc1ccon1)CC2 ZINC001050514478 760407667 /nfs/dbraw/zinc/40/76/67/760407667.db2.gz OFOZVTCDUKNVOG-UHFFFAOYSA-N 1 2 342.399 0.951 20 30 ECEDLO C[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2CNc2nccnc2C#N)C1 ZINC001060224838 760464862 /nfs/dbraw/zinc/46/48/62/760464862.db2.gz AEMISJVNWHYZCD-HIFRSBDPSA-N 1 2 344.419 0.472 20 30 ECEDLO C[N@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2CNc2nccnc2C#N)C1 ZINC001060224838 760464869 /nfs/dbraw/zinc/46/48/69/760464869.db2.gz AEMISJVNWHYZCD-HIFRSBDPSA-N 1 2 344.419 0.472 20 30 ECEDLO CC(C)C#CC(=O)N1CC[C@@H]([C@@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001050672610 760651866 /nfs/dbraw/zinc/65/18/66/760651866.db2.gz KMMOABQAZRDZBK-HUUCEWRRSA-N 1 2 330.432 0.975 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)[C@@H](O)C1 ZINC001083659115 760711309 /nfs/dbraw/zinc/71/13/09/760711309.db2.gz JGDWYGJUDVCVGB-MLHJIOFPSA-N 1 2 327.428 0.651 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)[C@@H](O)C1 ZINC001083659115 760711318 /nfs/dbraw/zinc/71/13/18/760711318.db2.gz JGDWYGJUDVCVGB-MLHJIOFPSA-N 1 2 327.428 0.651 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001060232703 760730688 /nfs/dbraw/zinc/73/06/88/760730688.db2.gz FTGDACSZYNCRPR-KBPBESRZSA-N 1 2 332.404 0.345 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cn1cc[nH+]c1 ZINC001013030660 760974175 /nfs/dbraw/zinc/97/41/75/760974175.db2.gz HGZIKSNRCDTQII-BXUZGUMPSA-N 1 2 326.360 0.502 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1[nH]c(C)c(C(N)=O)c1CC ZINC001050954076 761213638 /nfs/dbraw/zinc/21/36/38/761213638.db2.gz PZFMVIZUCMBOBN-CYBMUJFWSA-N 1 2 348.447 0.991 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1[nH]c(C)c(C(N)=O)c1CC ZINC001050954076 761213643 /nfs/dbraw/zinc/21/36/43/761213643.db2.gz PZFMVIZUCMBOBN-CYBMUJFWSA-N 1 2 348.447 0.991 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(CC=C)C2=O)C[C@H]1OC ZINC001212146797 761214027 /nfs/dbraw/zinc/21/40/27/761214027.db2.gz YOWGCHAQWTWHLX-IXDOHACOSA-N 1 2 347.459 0.782 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(CC=C)C2=O)C[C@H]1OC ZINC001212146797 761214032 /nfs/dbraw/zinc/21/40/32/761214032.db2.gz YOWGCHAQWTWHLX-IXDOHACOSA-N 1 2 347.459 0.782 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc2c(cn1)OCCO2 ZINC001050956502 761218572 /nfs/dbraw/zinc/21/85/72/761218572.db2.gz CLRXBALKOXURTQ-ZDUSSCGKSA-N 1 2 333.388 0.860 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc2c(cn1)OCCO2 ZINC001050956502 761218576 /nfs/dbraw/zinc/21/85/76/761218576.db2.gz CLRXBALKOXURTQ-ZDUSSCGKSA-N 1 2 333.388 0.860 20 30 ECEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CCS(C)(=O)=O)CC2)C1 ZINC001105714370 761254644 /nfs/dbraw/zinc/25/46/44/761254644.db2.gz WHWZOCWCDVVOCK-UHFFFAOYSA-N 1 2 330.450 0.299 20 30 ECEDLO C[C@H](NC(=O)CSCC#N)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001050993440 761289308 /nfs/dbraw/zinc/28/93/08/761289308.db2.gz MZYAHJJHLSOMJX-QWHCGFSZSA-N 1 2 349.460 0.952 20 30 ECEDLO C[C@H](NC(=O)CSCC#N)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001050993440 761289313 /nfs/dbraw/zinc/28/93/13/761289313.db2.gz MZYAHJJHLSOMJX-QWHCGFSZSA-N 1 2 349.460 0.952 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccnc2c1CC(=O)N2 ZINC001051001818 761312944 /nfs/dbraw/zinc/31/29/44/761312944.db2.gz XRVFLGOQWBAMRE-GFCCVEGCSA-N 1 2 330.388 0.583 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccnc2c1CC(=O)N2 ZINC001051001818 761312954 /nfs/dbraw/zinc/31/29/54/761312954.db2.gz XRVFLGOQWBAMRE-GFCCVEGCSA-N 1 2 330.388 0.583 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn(C)nc1[C@H]1CCOC1 ZINC001051046458 761388962 /nfs/dbraw/zinc/38/89/62/761388962.db2.gz OBMJKADFORYXJK-GJZGRUSLSA-N 1 2 348.447 0.931 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn(C)nc1[C@H]1CCOC1 ZINC001051046458 761388971 /nfs/dbraw/zinc/38/89/71/761388971.db2.gz OBMJKADFORYXJK-GJZGRUSLSA-N 1 2 348.447 0.931 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1CCC(OC2C[NH+](CCOC)C2)CC1 ZINC001105736446 761420284 /nfs/dbraw/zinc/42/02/84/761420284.db2.gz XXPXCBSDNLDJJC-CQSZACIVSA-N 1 2 326.437 0.916 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2COCC[N@@H+]2CC[C@H]2CCOC2)c1 ZINC001051106895 761502258 /nfs/dbraw/zinc/50/22/58/761502258.db2.gz QFSVAYBOTZHPEV-WMZOPIPTSA-N 1 2 343.427 0.920 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2COCC[N@H+]2CC[C@H]2CCOC2)c1 ZINC001051106895 761502266 /nfs/dbraw/zinc/50/22/66/761502266.db2.gz QFSVAYBOTZHPEV-WMZOPIPTSA-N 1 2 343.427 0.920 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2COCC[N@H+]2C[C@H](CC)OC)c1 ZINC001051107389 761503069 /nfs/dbraw/zinc/50/30/69/761503069.db2.gz SRJTYQMYDUYNSJ-SJORKVTESA-N 1 2 331.416 0.919 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2COCC[N@@H+]2C[C@H](CC)OC)c1 ZINC001051107389 761503071 /nfs/dbraw/zinc/50/30/71/761503071.db2.gz SRJTYQMYDUYNSJ-SJORKVTESA-N 1 2 331.416 0.919 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2COCC[N@@H+]2CC[C@@H]2CCOC2)nn1 ZINC001051156585 761579597 /nfs/dbraw/zinc/57/95/97/761579597.db2.gz UQZZVYKNOJCNKG-HUUCEWRRSA-N 1 2 349.435 0.321 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2COCC[N@H+]2CC[C@@H]2CCOC2)nn1 ZINC001051156585 761579602 /nfs/dbraw/zinc/57/96/02/761579602.db2.gz UQZZVYKNOJCNKG-HUUCEWRRSA-N 1 2 349.435 0.321 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2C[C@@H](CC)OC)cn1 ZINC001051213626 761702521 /nfs/dbraw/zinc/70/25/21/761702521.db2.gz AQBZWMAHSZSFCM-DLBZAZTESA-N 1 2 331.416 0.919 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2C[C@@H](CC)OC)cn1 ZINC001051213626 761702529 /nfs/dbraw/zinc/70/25/29/761702529.db2.gz AQBZWMAHSZSFCM-DLBZAZTESA-N 1 2 331.416 0.919 20 30 ECEDLO C=C1CCC(C(=O)N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)CC1 ZINC000991576865 761740433 /nfs/dbraw/zinc/74/04/33/761740433.db2.gz VKESKVSBJGBNRP-CVEARBPZSA-N 1 2 346.431 0.708 20 30 ECEDLO C=CCOCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001051258087 761780604 /nfs/dbraw/zinc/78/06/04/761780604.db2.gz BLKSULCIICCKCG-ZIAGYGMSSA-N 1 2 334.420 0.518 20 30 ECEDLO Cc1cc(N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](O)C2)c(C#N)cn1 ZINC001051702309 762735518 /nfs/dbraw/zinc/73/55/18/762735518.db2.gz XXTZZTHQYZCAGS-GDBMZVCRSA-N 1 2 340.387 0.214 20 30 ECEDLO CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)Cc2[nH]c[nH+]c2C)n1 ZINC001105920728 762774885 /nfs/dbraw/zinc/77/48/85/762774885.db2.gz MWCTYBFPLHCNSC-LBPRGKRZSA-N 1 2 343.391 0.074 20 30 ECEDLO Cc1nsc(N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](O)C2)c1C#N ZINC001051791037 762975742 /nfs/dbraw/zinc/97/57/42/762975742.db2.gz ZXRRFOMXRMWJSS-STQMWFEESA-N 1 2 346.416 0.345 20 30 ECEDLO Cc1nsc(N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](O)C2)c1C#N ZINC001051791035 762975815 /nfs/dbraw/zinc/97/58/15/762975815.db2.gz ZXRRFOMXRMWJSS-OLZOCXBDSA-N 1 2 346.416 0.345 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)CC(C)(C)C1=O ZINC001017557186 768116509 /nfs/dbraw/zinc/11/65/09/768116509.db2.gz PPFKZAGORKDLQI-OKILXGFUSA-N 1 2 331.416 0.470 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)CC(C)(C)C1=O ZINC001017557186 768116517 /nfs/dbraw/zinc/11/65/17/768116517.db2.gz PPFKZAGORKDLQI-OKILXGFUSA-N 1 2 331.416 0.470 20 30 ECEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 ZINC001031877876 763252686 /nfs/dbraw/zinc/25/26/86/763252686.db2.gz HGBFBFMNVZAUEP-UONOGXRCSA-N 1 2 329.828 0.423 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3csnn3)C2)cn1 ZINC001051908844 763302991 /nfs/dbraw/zinc/30/29/91/763302991.db2.gz MXSBVDSOSSCQLJ-HNNXBMFYSA-N 1 2 343.412 0.545 20 30 ECEDLO Cc1cc(C#N)nc(N2CC=C(CNC(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC001127678925 763322503 /nfs/dbraw/zinc/32/25/03/763322503.db2.gz ULDRRFIHHLQHCQ-UHFFFAOYSA-N 1 2 337.387 0.875 20 30 ECEDLO C=CCn1cccc1C(=O)NC1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001030447845 763367717 /nfs/dbraw/zinc/36/77/17/763367717.db2.gz OECZPYDCFVPTJQ-HNNXBMFYSA-N 1 2 329.404 0.346 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2O)C1 ZINC000991773037 763378249 /nfs/dbraw/zinc/37/82/49/763378249.db2.gz UUDJENHETKMQNY-QWHCGFSZSA-N 1 2 332.404 0.387 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C)CCCC3)C2)C1=O ZINC001077469325 763380753 /nfs/dbraw/zinc/38/07/53/763380753.db2.gz YAAPZOMFXNFUNL-QLFBSQMISA-N 1 2 335.448 0.515 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C)CCCC3)C2)C1=O ZINC001077469325 763380761 /nfs/dbraw/zinc/38/07/61/763380761.db2.gz YAAPZOMFXNFUNL-QLFBSQMISA-N 1 2 335.448 0.515 20 30 ECEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2ccn3nnnc3c2)C1 ZINC001031895459 763404446 /nfs/dbraw/zinc/40/44/46/763404446.db2.gz CJCVKXPMHCVIJW-UHFFFAOYSA-N 1 2 347.382 0.858 20 30 ECEDLO COCC(=O)N1CC[C@@H]([NH+]2CCN(Cc3ccc(C#N)s3)CC2)C1 ZINC001051956087 763444960 /nfs/dbraw/zinc/44/49/60/763444960.db2.gz IDDBXJAJZWOBKE-CQSZACIVSA-N 1 2 348.472 0.985 20 30 ECEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@H]2CC[C@H]2C(N)=O)C1 ZINC001031899789 763449435 /nfs/dbraw/zinc/44/94/35/763449435.db2.gz VEDSCSJKTACYLI-CVEARBPZSA-N 1 2 326.400 0.618 20 30 ECEDLO CN1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)C1=O ZINC001031911055 763528425 /nfs/dbraw/zinc/52/84/25/763528425.db2.gz UPLDXVDAKXTWQS-HNNXBMFYSA-N 1 2 344.390 0.724 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)CCn2cc[nH+]c2)nc1 ZINC001077573737 763545237 /nfs/dbraw/zinc/54/52/37/763545237.db2.gz NYVOOCPPGOHOMI-AWEZNQCLSA-N 1 2 339.399 0.974 20 30 ECEDLO CCc1nnc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)o1 ZINC001051997830 763548286 /nfs/dbraw/zinc/54/82/86/763548286.db2.gz JFGUMWHSBJSDAS-ZIAGYGMSSA-N 1 2 346.435 0.510 20 30 ECEDLO Cc1cnc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)o1 ZINC001051997802 763548775 /nfs/dbraw/zinc/54/87/75/763548775.db2.gz IPQVAONLFRSRMX-ZFWWWQNUSA-N 1 2 331.420 0.861 20 30 ECEDLO Cc1nc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)co1 ZINC001051998254 763550417 /nfs/dbraw/zinc/55/04/17/763550417.db2.gz QBQRMNIQABQLAB-CJNGLKHVSA-N 1 2 331.420 0.861 20 30 ECEDLO COc1cc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)on1 ZINC001051998380 763551046 /nfs/dbraw/zinc/55/10/46/763551046.db2.gz SEIZOEKMQPPIEK-UONOGXRCSA-N 1 2 347.419 0.561 20 30 ECEDLO Cc1cnc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)cn1 ZINC001051998581 763551710 /nfs/dbraw/zinc/55/17/10/763551710.db2.gz VWSASDCYJVDEGO-RHSMWYFYSA-N 1 2 342.447 0.663 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)CC1 ZINC001052006630 763572914 /nfs/dbraw/zinc/57/29/14/763572914.db2.gz QLTLTPWCQSNWGZ-INIZCTEOSA-N 1 2 325.416 0.742 20 30 ECEDLO Cn1cc(CN2CC[NH+]([C@@H]3CCN(C(=O)C#CC4CC4)C3)CC2)cn1 ZINC001052026607 763619835 /nfs/dbraw/zinc/61/98/35/763619835.db2.gz RHGRFGDXPONHDX-GOSISDBHSA-N 1 2 341.459 0.552 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)Cn3ccc(C)n3)C2)CC1 ZINC001052032396 763634730 /nfs/dbraw/zinc/63/47/30/763634730.db2.gz GRCOHPNELJMKCR-AEFFLSMTSA-N 1 2 343.475 0.679 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cn[nH]c(=O)c3)C2)CC1 ZINC001052040422 763661427 /nfs/dbraw/zinc/66/14/27/763661427.db2.gz AMMVZLWFPYRUKX-HNNXBMFYSA-N 1 2 329.404 0.038 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc4n[nH]cc4c3)C2)CC1 ZINC001052040803 763663984 /nfs/dbraw/zinc/66/39/84/763663984.db2.gz LAQVAQMZAPIGAW-MRXNPFEDSA-N 1 2 340.431 0.976 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnc4n[nH]cc4c3)C2)CC1 ZINC001052041048 763665823 /nfs/dbraw/zinc/66/58/23/763665823.db2.gz QMUQIJCAUKNRSZ-MRXNPFEDSA-N 1 2 338.415 0.423 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001052045733 763684561 /nfs/dbraw/zinc/68/45/61/763684561.db2.gz UCMDFQLNTNGPKI-OLZOCXBDSA-N 1 2 349.460 0.810 20 30 ECEDLO CCN1CCOC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001015025896 763694615 /nfs/dbraw/zinc/69/46/15/763694615.db2.gz SPZHHVNXPCHCDU-ROUUACIJSA-N 1 2 342.443 0.969 20 30 ECEDLO CCN1CCOC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001015025896 763694620 /nfs/dbraw/zinc/69/46/20/763694620.db2.gz SPZHHVNXPCHCDU-ROUUACIJSA-N 1 2 342.443 0.969 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccnc(OC)c3)C2)CC1 ZINC001052048610 763697415 /nfs/dbraw/zinc/69/74/15/763697415.db2.gz YYVIHDMQBOUMCK-MRXNPFEDSA-N 1 2 328.416 0.556 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn(C)c3CC)C2)CC1 ZINC001052048573 763697558 /nfs/dbraw/zinc/69/75/58/763697558.db2.gz XWAGSZNCQAWNOA-HNNXBMFYSA-N 1 2 329.448 0.448 20 30 ECEDLO CCc1cncc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)c1 ZINC001052052372 763715120 /nfs/dbraw/zinc/71/51/20/763715120.db2.gz KWOKEPZVESDOOP-QGZVFWFLSA-N 1 2 327.432 1.000 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCNC(=O)CC3)C2)CC1 ZINC001052056810 763728583 /nfs/dbraw/zinc/72/85/83/763728583.db2.gz HQVMHKFKYOEAEQ-IRXDYDNUSA-N 1 2 348.491 0.697 20 30 ECEDLO Cn1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)[nH]c1=O ZINC001031951099 763753488 /nfs/dbraw/zinc/75/34/88/763753488.db2.gz NPRUXXRPANHJOW-UHFFFAOYSA-N 1 2 343.362 0.998 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@]3(C)CCC(=O)NC3)C2)CC1 ZINC001052068345 763761720 /nfs/dbraw/zinc/76/17/20/763761720.db2.gz GGHFJRQRDPHGSV-VQIMIIECSA-N 1 2 348.491 0.697 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cn(CC)nn3)C2)nn1 ZINC001098758382 763762753 /nfs/dbraw/zinc/76/27/53/763762753.db2.gz ZMPYQUMKCWQPAX-AWEZNQCLSA-N 1 2 342.407 0.090 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cn(CC)nn3)C2)nn1 ZINC001098758386 763775304 /nfs/dbraw/zinc/77/53/04/763775304.db2.gz ZMPYQUMKCWQPAX-CQSZACIVSA-N 1 2 342.407 0.090 20 30 ECEDLO N#CCOc1ccc(C[N@H+]2CC[C@H](NC(=O)c3cn[nH]n3)C2)cc1 ZINC001015060862 763785448 /nfs/dbraw/zinc/78/54/48/763785448.db2.gz MMXAEEAUZIVKNL-ZDUSSCGKSA-N 1 2 326.360 0.711 20 30 ECEDLO N#CCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cn[nH]n3)C2)cc1 ZINC001015060862 763785451 /nfs/dbraw/zinc/78/54/51/763785451.db2.gz MMXAEEAUZIVKNL-ZDUSSCGKSA-N 1 2 326.360 0.711 20 30 ECEDLO N#CCOc1ccc(C[N@H+]2CC[C@H](NC(=O)c3cnn[nH]3)C2)cc1 ZINC001015060862 763785454 /nfs/dbraw/zinc/78/54/54/763785454.db2.gz MMXAEEAUZIVKNL-ZDUSSCGKSA-N 1 2 326.360 0.711 20 30 ECEDLO N#CCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cnn[nH]3)C2)cc1 ZINC001015060862 763785457 /nfs/dbraw/zinc/78/54/57/763785457.db2.gz MMXAEEAUZIVKNL-ZDUSSCGKSA-N 1 2 326.360 0.711 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([NH+]3CCN([C@H](C)C(=O)NC)CC3)C2)C1 ZINC001052081516 763798746 /nfs/dbraw/zinc/79/87/46/763798746.db2.gz MTZIHEBDJPFIHF-HZPDHXFCSA-N 1 2 348.491 0.696 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@H](N3CC[NH+]([C@H](C)C(=O)NC)CC3)C2)C1 ZINC001052081516 763798754 /nfs/dbraw/zinc/79/87/54/763798754.db2.gz MTZIHEBDJPFIHF-HZPDHXFCSA-N 1 2 348.491 0.696 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)CC1 ZINC001052085248 763811014 /nfs/dbraw/zinc/81/10/14/763811014.db2.gz BJRVECNGSSWLRK-IXDOHACOSA-N 1 2 346.475 0.130 20 30 ECEDLO C#Cc1cncc(C(=O)NCC2C[NH+](CC(=O)NC3CCCC3)C2)c1 ZINC001031963491 763827519 /nfs/dbraw/zinc/82/75/19/763827519.db2.gz NIXBGAODHZQMMQ-UHFFFAOYSA-N 1 2 340.427 0.783 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccnc(N(C)C)c3)C2)CC1 ZINC001052093081 763834879 /nfs/dbraw/zinc/83/48/79/763834879.db2.gz KMIDLEYKTOZEBP-QGZVFWFLSA-N 1 2 341.459 0.613 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3nc(C)ncc3Cl)C2)CC1 ZINC001052093033 763835151 /nfs/dbraw/zinc/83/51/51/763835151.db2.gz JCWOFSQSWYRWQU-AWEZNQCLSA-N 1 2 347.850 0.904 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3nc(C)ncc3Cl)C2)CC1 ZINC001052093033 763835157 /nfs/dbraw/zinc/83/51/57/763835157.db2.gz JCWOFSQSWYRWQU-AWEZNQCLSA-N 1 2 347.850 0.904 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3cscn3)C2)CC1 ZINC001052093142 763837037 /nfs/dbraw/zinc/83/70/37/763837037.db2.gz JVCXQMRRJSDSLB-INIZCTEOSA-N 1 2 332.473 0.927 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c(C)n[nH]c3C)C2)CC1 ZINC001052098684 763854381 /nfs/dbraw/zinc/85/43/81/763854381.db2.gz NDBVFIOQWIAZLQ-MRXNPFEDSA-N 1 2 329.448 0.882 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(CC)nn3C)C2)CC1 ZINC001052101783 763864236 /nfs/dbraw/zinc/86/42/36/763864236.db2.gz VOPRMNAZGAVRHL-INIZCTEOSA-N 1 2 329.448 0.448 20 30 ECEDLO CC[C@H]1CCCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052104271 763871991 /nfs/dbraw/zinc/87/19/91/763871991.db2.gz YJNXMSGFXCVXSM-JKSUJKDBSA-N 1 2 347.463 0.129 20 30 ECEDLO Cn1nc2c(c1C(=O)N1CC[C@@H]([NH+]3CCN(CC#N)CC3)C1)CCC2 ZINC001052106827 763883783 /nfs/dbraw/zinc/88/37/83/763883783.db2.gz VWNSQSUDOHZXEA-CQSZACIVSA-N 1 2 342.447 0.264 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3cnn(CC)c3)C2)CC1 ZINC001052106987 763885037 /nfs/dbraw/zinc/88/50/37/763885037.db2.gz YPCJUWGNLKWTGJ-GOSISDBHSA-N 1 2 343.475 0.687 20 30 ECEDLO COCc1nocc1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052107901 763889044 /nfs/dbraw/zinc/88/90/44/763889044.db2.gz HRIBJEJTFGGVJP-ZDUSSCGKSA-N 1 2 333.392 0.177 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCN3C(C)=O)C2)CC1 ZINC001052110066 763899446 /nfs/dbraw/zinc/89/94/46/763899446.db2.gz LJTLQPWRFOEZKL-ROUUACIJSA-N 1 2 348.491 0.792 20 30 ECEDLO CN(C(=O)[C@H]1CCCO1)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047295173 763911519 /nfs/dbraw/zinc/91/15/19/763911519.db2.gz IWOXVSBOFFFZHF-OKZBNKHCSA-N 1 2 328.412 0.721 20 30 ECEDLO CN(C(=O)[C@H]1CCCO1)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047295173 763911525 /nfs/dbraw/zinc/91/15/25/763911525.db2.gz IWOXVSBOFFFZHF-OKZBNKHCSA-N 1 2 328.412 0.721 20 30 ECEDLO CN(C(=O)c1cnn(C)c1)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047299353 763919989 /nfs/dbraw/zinc/91/99/89/763919989.db2.gz WMLVVBYYBUVOPH-GJZGRUSLSA-N 1 2 345.428 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N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)c(F)c1 ZINC001015632716 765104206 /nfs/dbraw/zinc/10/42/06/765104206.db2.gz BDJJVNUQHLVHLF-GXTWGEPZSA-N 1 2 331.351 0.069 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3nc[nH]n3)CC2)C1=O ZINC001052805283 765155441 /nfs/dbraw/zinc/15/54/41/765155441.db2.gz NXZHDFNNYLWSRW-OLZOCXBDSA-N 1 2 332.408 0.176 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3nc[nH]n3)CC2)C1=O ZINC001052805283 765155452 /nfs/dbraw/zinc/15/54/52/765155452.db2.gz NXZHDFNNYLWSRW-OLZOCXBDSA-N 1 2 332.408 0.176 20 30 ECEDLO CC1(C)CC[C@@H](CNC(=O)C2(CF)CC2)[N@H+](CC(=O)NCC#N)C1 ZINC001099224643 768269969 /nfs/dbraw/zinc/26/99/69/768269969.db2.gz GHVCNDJPHFKZJV-ZDUSSCGKSA-N 1 2 338.427 0.983 20 30 ECEDLO CC1(C)CC[C@@H](CNC(=O)C2(CF)CC2)[N@@H+](CC(=O)NCC#N)C1 ZINC001099224643 768269973 /nfs/dbraw/zinc/26/99/73/768269973.db2.gz GHVCNDJPHFKZJV-ZDUSSCGKSA-N 1 2 338.427 0.983 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1CNC(=O)C#CC1CC1 ZINC001052815811 765174108 /nfs/dbraw/zinc/17/41/08/765174108.db2.gz XCFSYDAMDWJVEZ-UKRRQHHQSA-N 1 2 328.416 0.966 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1CNC(=O)C#CC1CC1 ZINC001052815811 765174114 /nfs/dbraw/zinc/17/41/14/765174114.db2.gz XCFSYDAMDWJVEZ-UKRRQHHQSA-N 1 2 328.416 0.966 20 30 ECEDLO C=CCCOCC(=O)N1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001052841648 765212888 /nfs/dbraw/zinc/21/28/88/765212888.db2.gz PDTSAGFPDHDVHP-ZIAGYGMSSA-N 1 2 334.420 0.756 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2ccc(OC)nn21 ZINC001017671500 768278162 /nfs/dbraw/zinc/27/81/62/768278162.db2.gz SPKHJMISXYEFDX-BETUJISGSA-N 1 2 325.372 0.660 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2ccc(OC)nn21 ZINC001017671500 768278165 /nfs/dbraw/zinc/27/81/65/768278165.db2.gz SPKHJMISXYEFDX-BETUJISGSA-N 1 2 325.372 0.660 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3nncn3C)CC2)nc1 ZINC001052876817 765280778 /nfs/dbraw/zinc/28/07/78/765280778.db2.gz ZPZWVTVBZQLTEG-OAHLLOKOSA-N 1 2 338.415 0.976 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3nncn3C)CC2)nc1 ZINC001052876817 765280780 /nfs/dbraw/zinc/28/07/80/765280780.db2.gz ZPZWVTVBZQLTEG-OAHLLOKOSA-N 1 2 338.415 0.976 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C)ncn3)C2)nn1 ZINC001015820765 765383455 /nfs/dbraw/zinc/38/34/55/765383455.db2.gz MQKASUZWLIFWDC-AWEZNQCLSA-N 1 2 341.419 0.957 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C)ncn3)C2)nn1 ZINC001015820765 765383465 /nfs/dbraw/zinc/38/34/65/765383465.db2.gz MQKASUZWLIFWDC-AWEZNQCLSA-N 1 2 341.419 0.957 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001015908776 765528061 /nfs/dbraw/zinc/52/80/61/765528061.db2.gz UFJCDQQAOASWFA-HNNXBMFYSA-N 1 2 337.383 0.990 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001015908776 765528066 /nfs/dbraw/zinc/52/80/66/765528066.db2.gz UFJCDQQAOASWFA-HNNXBMFYSA-N 1 2 337.383 0.990 20 30 ECEDLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1CNC(=O)CSCC#N ZINC001053076533 765552485 /nfs/dbraw/zinc/55/24/85/765552485.db2.gz ZRUYHCARCHNTOU-KGLIPLIRSA-N 1 2 349.460 0.741 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001015967255 765634428 /nfs/dbraw/zinc/63/44/28/765634428.db2.gz BDLGNDDJZLVFAK-OLZOCXBDSA-N 1 2 330.388 0.339 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001015967255 765634432 /nfs/dbraw/zinc/63/44/32/765634432.db2.gz BDLGNDDJZLVFAK-OLZOCXBDSA-N 1 2 330.388 0.339 20 30 ECEDLO C[C@@H](CCNC(=O)Cc1c[nH+]cn1C)NC(=O)c1ccc(C#N)[nH]1 ZINC001077498313 765709114 /nfs/dbraw/zinc/70/91/14/765709114.db2.gz MPNUPEZMSWZWMK-NSHDSACASA-N 1 2 328.376 0.487 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCOC2(C[NH+](C[C@H](C)OC)C2)C1 ZINC001053261014 765860423 /nfs/dbraw/zinc/86/04/23/765860423.db2.gz QMYHPETYXNZSPT-XHSDSOJGSA-N 1 2 338.448 0.916 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)Cn3cncn3)C2)c1 ZINC001016194163 765891266 /nfs/dbraw/zinc/89/12/66/765891266.db2.gz FVEONQNNIUDTAJ-CQSZACIVSA-N 1 2 328.351 0.680 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)Cn3cncn3)C2)c1 ZINC001016194163 765891270 /nfs/dbraw/zinc/89/12/70/765891270.db2.gz FVEONQNNIUDTAJ-CQSZACIVSA-N 1 2 328.351 0.680 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCc3nncn3CC1)CCO2 ZINC001053345466 766007473 /nfs/dbraw/zinc/00/74/73/766007473.db2.gz SOYUZVCPTFKGQD-HNNXBMFYSA-N 1 2 345.447 0.720 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cc1ccccc1C(N)=O)CCO2 ZINC001053369850 766045926 /nfs/dbraw/zinc/04/59/26/766045926.db2.gz JYTUUHQBLFUXOF-UHFFFAOYSA-N 1 2 343.427 0.817 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCc3nnn(C)c3C1)CCO2 ZINC001053394861 766076978 /nfs/dbraw/zinc/07/69/78/766076978.db2.gz QRAQJWAWMULEFW-CQSZACIVSA-N 1 2 345.447 0.409 20 30 ECEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCCN1C(=O)C(N)=O ZINC001089221897 766098512 /nfs/dbraw/zinc/09/85/12/766098512.db2.gz SJIXAFBIMIWQLS-HNNXBMFYSA-N 1 2 332.379 0.996 20 30 ECEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCCN1C(=O)C(N)=O ZINC001089221897 766098517 /nfs/dbraw/zinc/09/85/17/766098517.db2.gz SJIXAFBIMIWQLS-HNNXBMFYSA-N 1 2 332.379 0.996 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3ccnc3)nc2)[C@@H](O)C1 ZINC001083685083 766153785 /nfs/dbraw/zinc/15/37/85/766153785.db2.gz BTISFKXEEBZEKZ-CABCVRRESA-N 1 2 325.372 0.066 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3ccnc3)nc2)[C@@H](O)C1 ZINC001083685083 766153788 /nfs/dbraw/zinc/15/37/88/766153788.db2.gz BTISFKXEEBZEKZ-CABCVRRESA-N 1 2 325.372 0.066 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 ZINC001106122115 766172224 /nfs/dbraw/zinc/17/22/24/766172224.db2.gz RMHDYVKHJVVYGD-RBSFLKMASA-N 1 2 340.387 0.379 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc3n[nH]c(=O)n3c1)CCO2 ZINC001053470222 766187252 /nfs/dbraw/zinc/18/72/52/766187252.db2.gz GFOJHQRXQFRGGB-UHFFFAOYSA-N 1 2 343.387 0.538 20 30 ECEDLO C[C@@H](CCNc1ccnc(C#N)n1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001106486145 768366239 /nfs/dbraw/zinc/36/62/39/768366239.db2.gz YFYOLLLCZPKOBK-QWHCGFSZSA-N 1 2 339.403 0.536 20 30 ECEDLO C[C@H](CCNc1ccnc(C#N)n1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001106484419 768364729 /nfs/dbraw/zinc/36/47/29/768364729.db2.gz DCKWGBGQXHVDJC-CHWSQXEVSA-N 1 2 339.403 0.536 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(=O)n(C)cn1)O2 ZINC001053610605 766429185 /nfs/dbraw/zinc/42/91/85/766429185.db2.gz VKBDBRFQLABUQY-ZDUSSCGKSA-N 1 2 332.404 0.320 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnc3n[nH]nc3c1)O2 ZINC001053611304 766431933 /nfs/dbraw/zinc/43/19/33/766431933.db2.gz ONZFHLLUVFTJCW-CYBMUJFWSA-N 1 2 342.403 0.892 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1CCC3(CN(CC#N)C3)O1)C2 ZINC001053618692 766447177 /nfs/dbraw/zinc/44/71/77/766447177.db2.gz CPPDJFGTSKCBFO-KGLIPLIRSA-N 1 2 343.431 0.696 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CCC3(CN(CC#N)C3)O1)CC2 ZINC001053618692 766447180 /nfs/dbraw/zinc/44/71/80/766447180.db2.gz CPPDJFGTSKCBFO-KGLIPLIRSA-N 1 2 343.431 0.696 20 30 ECEDLO C=CCN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCc3c[nH+]cn3C1)O2 ZINC001053619566 766449454 /nfs/dbraw/zinc/44/94/54/766449454.db2.gz SRONASKSHRFVMV-GDBMZVCRSA-N 1 2 330.432 0.981 20 30 ECEDLO N#CCN1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCc3[nH+]ccn3C1)O2 ZINC001053619426 766449519 /nfs/dbraw/zinc/44/95/19/766449519.db2.gz RTHQHEYUJUGWCL-UONOGXRCSA-N 1 2 329.404 0.319 20 30 ECEDLO C=CCC(C)(C)C(=O)NC[C@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001106130834 766509452 /nfs/dbraw/zinc/50/94/52/766509452.db2.gz XWNLDXMUBNAGIG-LLVKDONJSA-N 1 2 332.408 0.855 20 30 ECEDLO CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 ZINC001212254483 766526518 /nfs/dbraw/zinc/52/65/18/766526518.db2.gz YECJVOUCBJQIPP-NUEKZKHPSA-N 1 2 335.448 0.472 20 30 ECEDLO CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 ZINC001212254483 766526523 /nfs/dbraw/zinc/52/65/23/766526523.db2.gz YECJVOUCBJQIPP-NUEKZKHPSA-N 1 2 335.448 0.472 20 30 ECEDLO Cn1cnnc1C[NH+]1CCC2(C[C@H]2NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001016582218 766534414 /nfs/dbraw/zinc/53/44/14/766534414.db2.gz SJQDVNXSAMZOEH-CQSZACIVSA-N 1 2 339.403 0.799 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C2)C1=O ZINC001212255465 766555234 /nfs/dbraw/zinc/55/52/34/766555234.db2.gz MBOUIQKKDCOXMF-BZUAXINKSA-N 1 2 347.459 0.638 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C2)C1=O ZINC001212255465 766555238 /nfs/dbraw/zinc/55/52/38/766555238.db2.gz MBOUIQKKDCOXMF-BZUAXINKSA-N 1 2 347.459 0.638 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001053675575 766558251 /nfs/dbraw/zinc/55/82/51/766558251.db2.gz PKDQJIIBGQSBFS-JYJNAYRXSA-N 1 2 338.448 0.700 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(=O)n(CC)n1)O2 ZINC001053680898 766570109 /nfs/dbraw/zinc/57/01/09/766570109.db2.gz AWOGZDONYDBOQN-ZDUSSCGKSA-N 1 2 332.404 0.412 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cn([C@@H]3CCOC3)nn1)O2 ZINC001053688175 766593418 /nfs/dbraw/zinc/59/34/18/766593418.db2.gz LZDGJLYBHXTJBR-KGLIPLIRSA-N 1 2 347.419 0.389 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(=O)n(C)n1)O2 ZINC001053696152 766608500 /nfs/dbraw/zinc/60/85/00/766608500.db2.gz AQSLCNMNKBXYGS-CYBMUJFWSA-N 1 2 332.404 0.320 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C1CCN(C(N)=O)CC1)O2 ZINC001053697139 766611065 /nfs/dbraw/zinc/61/10/65/766611065.db2.gz WQXONMNJSTWTEX-CQSZACIVSA-N 1 2 336.436 0.313 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1noc3c1COCC3)O2 ZINC001053699570 766617118 /nfs/dbraw/zinc/61/71/18/766617118.db2.gz GJCJXFRCNUCQPE-LBPRGKRZSA-N 1 2 333.388 0.897 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCN1C(C)=O)O2 ZINC001053701458 766623386 /nfs/dbraw/zinc/62/33/86/766623386.db2.gz VYTKMTMXRRWSMS-HZPDHXFCSA-N 1 2 335.448 0.923 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)O2 ZINC001053704658 766629504 /nfs/dbraw/zinc/62/95/04/766629504.db2.gz LETZBORQXXZBLC-KGLIPLIRSA-N 1 2 336.436 0.455 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@H]1OC ZINC001212262157 766672987 /nfs/dbraw/zinc/67/29/87/766672987.db2.gz DWWVUBWVLCXTCD-HZPDHXFCSA-N 1 2 332.404 0.140 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2nccnc2C)C[C@H]1OC ZINC001212262157 766672991 /nfs/dbraw/zinc/67/29/91/766672991.db2.gz DWWVUBWVLCXTCD-HZPDHXFCSA-N 1 2 332.404 0.140 20 30 ECEDLO Cc1noc(C[N@@H+]2CC[C@H](N3CCN(C(=O)C#CC4CC4)CC3)C2)n1 ZINC001046027911 766688248 /nfs/dbraw/zinc/68/82/48/766688248.db2.gz SPBACXCPLFNFNF-INIZCTEOSA-N 1 2 343.431 0.510 20 30 ECEDLO Cc1noc(C[N@H+]2CC[C@H](N3CCN(C(=O)C#CC4CC4)CC3)C2)n1 ZINC001046027911 766688253 /nfs/dbraw/zinc/68/82/53/766688253.db2.gz SPBACXCPLFNFNF-INIZCTEOSA-N 1 2 343.431 0.510 20 30 ECEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cccc(OCC(N)=O)c2)C1 ZINC001031712585 766696615 /nfs/dbraw/zinc/69/66/15/766696615.db2.gz CXRKTXFNTVUMBP-UHFFFAOYSA-N 1 2 337.807 0.965 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3C[C@H]3c3ccncc3)CC2)C1 ZINC001046030428 766698263 /nfs/dbraw/zinc/69/82/63/766698263.db2.gz RFSFDSAYIFUBAU-FGTMMUONSA-N 1 2 339.443 0.927 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)Cc3ccc(F)cn3)CC2)C1 ZINC001046038826 766739567 /nfs/dbraw/zinc/73/95/67/766739567.db2.gz KHEXVOYPBPUBIN-INIZCTEOSA-N 1 2 331.395 0.505 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cnc4nccn4c3)CC2)C1 ZINC001046043889 766763701 /nfs/dbraw/zinc/76/37/01/766763701.db2.gz MHWMXDCFCIDMQM-HNNXBMFYSA-N 1 2 339.403 0.085 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3ccc4[nH]ccc4n3)CC2)C1 ZINC001046045355 766770652 /nfs/dbraw/zinc/77/06/52/766770652.db2.gz WXLXFOGZEZUHAH-AWEZNQCLSA-N 1 2 338.415 0.919 20 30 ECEDLO CCc1cc(CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)n(C)n1 ZINC001046046122 766773543 /nfs/dbraw/zinc/77/35/43/766773543.db2.gz WNEISQMVVVFGIO-INIZCTEOSA-N 1 2 344.463 0.267 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(Cc3ncnn3C)C2)CC1 ZINC001046051486 766792182 /nfs/dbraw/zinc/79/21/82/766792182.db2.gz IKKAFVXSBGQWNU-OAHLLOKOSA-N 1 2 346.479 0.746 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(Cc3nnnn3C)C2)CC1 ZINC001046051815 766793239 /nfs/dbraw/zinc/79/32/39/766793239.db2.gz PFTIULVZFMMYFG-CQSZACIVSA-N 1 2 347.467 0.141 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)C3(c4cccnc4)CC3)CC2)C1 ZINC001046054843 766802986 /nfs/dbraw/zinc/80/29/86/766802986.db2.gz CNKBCSFZJIXULT-QGZVFWFLSA-N 1 2 339.443 0.855 20 30 ECEDLO C[C@H](Oc1cccnc1)C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046061153 766829134 /nfs/dbraw/zinc/82/91/34/766829134.db2.gz JIVNTHHLQBZRIU-JKSUJKDBSA-N 1 2 343.431 0.591 20 30 ECEDLO Cc1ncc(Cl)c(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)n1 ZINC001046068023 766861749 /nfs/dbraw/zinc/86/17/49/766861749.db2.gz ASURMUBZIRIRNI-ZDUSSCGKSA-N 1 2 348.838 0.794 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cnc(C4CC4)nc3)CC2)C1 ZINC001046068464 766862313 /nfs/dbraw/zinc/86/23/13/766862313.db2.gz LXRRXQJLBVEAGF-MRXNPFEDSA-N 1 2 340.431 0.710 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cc4ncccn4n3)CC2)C1 ZINC001046073226 766886318 /nfs/dbraw/zinc/88/63/18/766886318.db2.gz YOLCGSJVAKQDPX-CQSZACIVSA-N 1 2 339.403 0.085 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cccc4nc[nH]c43)CC2)C1 ZINC001046073232 766886924 /nfs/dbraw/zinc/88/69/24/766886924.db2.gz YQSDHDNLUVPKDX-CQSZACIVSA-N 1 2 338.415 0.919 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCCN1C(=O)CC)CO2 ZINC001053813620 766909057 /nfs/dbraw/zinc/90/90/57/766909057.db2.gz UYAINWKPJQTSGL-HZPDHXFCSA-N 1 2 347.459 0.760 20 30 ECEDLO CCOc1cnc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)cn1 ZINC001046089558 766931013 /nfs/dbraw/zinc/93/10/13/766931013.db2.gz GXJNFACEJZIAKV-CQSZACIVSA-N 1 2 344.419 0.231 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@H]3CC34CCOCC4)CC2)C1 ZINC001046090066 766931987 /nfs/dbraw/zinc/93/19/87/766931987.db2.gz NJCSNALLBSJUAW-HZPDHXFCSA-N 1 2 332.448 0.545 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cn3c(n1)CCCC3)CO2 ZINC001053821940 766939699 /nfs/dbraw/zinc/93/96/99/766939699.db2.gz BMZLYKLGCWYJQC-AWEZNQCLSA-N 1 2 328.416 0.816 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccn(CC(F)F)n1)CO2 ZINC001053841452 766989631 /nfs/dbraw/zinc/98/96/31/766989631.db2.gz JMMYFCZZUNJKDV-GFCCVEGCSA-N 1 2 338.358 0.745 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](Cc1nnnn1C)CC2 ZINC001016832451 767011294 /nfs/dbraw/zinc/01/12/94/767011294.db2.gz LGYMGBLZLRPBGP-HZSPNIEDSA-N 1 2 346.435 0.272 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](Cc1nnnn1C)CC2 ZINC001016832455 767011349 /nfs/dbraw/zinc/01/13/49/767011349.db2.gz LGYMGBLZLRPBGP-RDBSUJKOSA-N 1 2 346.435 0.272 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnn3c1OCCC3)CO2 ZINC001053858833 767049089 /nfs/dbraw/zinc/04/90/89/767049089.db2.gz SBIQLKCWZZJYQS-CYBMUJFWSA-N 1 2 332.404 0.815 20 30 ECEDLO Cn1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@H]32)nn1 ZINC001042016842 782604043 /nfs/dbraw/zinc/60/40/43/782604043.db2.gz VHNOGJBPLZMYLL-MLGOLLRUSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1cc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@H]32)nn1 ZINC001042016842 782604047 /nfs/dbraw/zinc/60/40/47/782604047.db2.gz VHNOGJBPLZMYLL-MLGOLLRUSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1cnnc1C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC001042015758 782602397 /nfs/dbraw/zinc/60/23/97/782602397.db2.gz KWCZDTKGHXHLQZ-SWLSCSKDSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1cnnc1C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC001042015758 782602402 /nfs/dbraw/zinc/60/24/02/782602402.db2.gz KWCZDTKGHXHLQZ-SWLSCSKDSA-N 1 2 339.403 0.751 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)CO2 ZINC001053865387 767071553 /nfs/dbraw/zinc/07/15/53/767071553.db2.gz XYKAOFVLTSBREY-ZIAGYGMSSA-N 1 2 342.461 0.347 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000938715682 767077829 /nfs/dbraw/zinc/07/78/29/767077829.db2.gz VMGXCAJTJRWNCK-OAGGEKHMSA-N 1 2 346.431 0.993 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000938715682 767077833 /nfs/dbraw/zinc/07/78/33/767077833.db2.gz VMGXCAJTJRWNCK-OAGGEKHMSA-N 1 2 346.431 0.993 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc3nccn3c1)CO2 ZINC001053870762 767088248 /nfs/dbraw/zinc/08/82/48/767088248.db2.gz QDWFTHBBQNUSTF-CQSZACIVSA-N 1 2 325.372 0.326 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)C2CN(C(C)=O)C2)C1 ZINC001046273357 767120821 /nfs/dbraw/zinc/12/08/21/767120821.db2.gz WSIIJLFPNNLLJR-AWEZNQCLSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)C2CN(C(C)=O)C2)C1 ZINC001046273357 767120823 /nfs/dbraw/zinc/12/08/23/767120823.db2.gz WSIIJLFPNNLLJR-AWEZNQCLSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)CO2 ZINC001053880258 767135326 /nfs/dbraw/zinc/13/53/26/767135326.db2.gz MMMIUWPVJUIMDV-YHUYYLMFSA-N 1 2 336.432 0.574 20 30 ECEDLO C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001046375763 767179415 /nfs/dbraw/zinc/17/94/15/767179415.db2.gz FSVVDYKZAIKXFG-CYBMUJFWSA-N 1 2 346.431 0.875 20 30 ECEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001031779593 767195150 /nfs/dbraw/zinc/19/51/50/767195150.db2.gz WDCKGOOZIUGVEW-LLVKDONJSA-N 1 2 325.800 0.347 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3cnn(C)c3C1)CO2 ZINC001053907290 767323903 /nfs/dbraw/zinc/32/39/03/767323903.db2.gz SCYKMKPFRBTFHK-GDBMZVCRSA-N 1 2 342.443 0.508 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccnc3c1ncn3C)CO2 ZINC001053921789 767365232 /nfs/dbraw/zinc/36/52/32/767365232.db2.gz NTDHQMPUNKLSSC-ZDUSSCGKSA-N 1 2 339.399 0.565 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3nnnn3CC1)CO2 ZINC001053931670 767393108 /nfs/dbraw/zinc/39/31/08/767393108.db2.gz CDWIFDFLSGGAEQ-KGLIPLIRSA-N 1 2 346.435 0.161 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cn([C@@H]3CCOC3)nn1)CO2 ZINC001053977474 767511662 /nfs/dbraw/zinc/51/16/62/767511662.db2.gz VVIOAXGZTIUZFX-UONOGXRCSA-N 1 2 347.419 0.389 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccnc3nc(C)nn31)CO2 ZINC001053981457 767523140 /nfs/dbraw/zinc/52/31/40/767523140.db2.gz KWKZKVHFSYIPGG-CYBMUJFWSA-N 1 2 340.387 0.029 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccnc3nc(C)nn31)CO2 ZINC001053981812 767523978 /nfs/dbraw/zinc/52/39/78/767523978.db2.gz VPEIXPLNNJZDRX-ZDUSSCGKSA-N 1 2 342.403 0.582 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H]1CCCCC(=O)N1)CO2 ZINC001053993558 767548305 /nfs/dbraw/zinc/54/83/05/767548305.db2.gz OOHHZBFTIZLIKT-HUUCEWRRSA-N 1 2 333.432 0.418 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCN(C)C1=O ZINC001054049514 767648578 /nfs/dbraw/zinc/64/85/78/767648578.db2.gz AOISMTOBPUQXMT-DLBZAZTESA-N 1 2 325.412 0.641 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCN(C)C1=O ZINC001054049514 767648581 /nfs/dbraw/zinc/64/85/81/767648581.db2.gz AOISMTOBPUQXMT-DLBZAZTESA-N 1 2 325.412 0.641 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001054055506 767653557 /nfs/dbraw/zinc/65/35/57/767653557.db2.gz MXJIGHOJRIMTKF-MRXNPFEDSA-N 1 2 339.395 0.216 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001054055506 767653562 /nfs/dbraw/zinc/65/35/62/767653562.db2.gz MXJIGHOJRIMTKF-MRXNPFEDSA-N 1 2 339.395 0.216 20 30 ECEDLO C[C@H](c1nnnn1C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C#CC1CC1)C2 ZINC001054130707 767726759 /nfs/dbraw/zinc/72/67/59/767726759.db2.gz WYJROUDZYAPUHI-KDOFPFPSSA-N 1 2 342.447 0.999 20 30 ECEDLO C[C@H](c1nnnn1C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)C#CC1CC1)C2 ZINC001054130707 767726761 /nfs/dbraw/zinc/72/67/61/767726761.db2.gz WYJROUDZYAPUHI-KDOFPFPSSA-N 1 2 342.447 0.999 20 30 ECEDLO Cc1cc(C)c(C(=O)NC[C@H](O)CNc2ccnc(C#N)n2)c(C)[nH+]1 ZINC001106182779 767741765 /nfs/dbraw/zinc/74/17/65/767741765.db2.gz GDAJHTZQDUAYTC-CYBMUJFWSA-N 1 2 340.387 0.293 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 ZINC001106184738 767768964 /nfs/dbraw/zinc/76/89/64/767768964.db2.gz PJVBTCVDRULXRS-ZDUSSCGKSA-N 1 2 328.376 0.209 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(n2cnnn2)CCCCC1 ZINC001017789410 768370882 /nfs/dbraw/zinc/37/08/82/768370882.db2.gz PMNHNQLLARNZRY-GASCZTMLSA-N 1 2 328.420 0.641 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(n2cnnn2)CCCCC1 ZINC001017789410 768370889 /nfs/dbraw/zinc/37/08/89/768370889.db2.gz PMNHNQLLARNZRY-GASCZTMLSA-N 1 2 328.420 0.641 20 30 ECEDLO CN(CCOCCNc1cnc(C#N)cn1)C(=O)Cc1[nH]cc[nH+]1 ZINC001127356927 768462973 /nfs/dbraw/zinc/46/29/73/768462973.db2.gz HRZGMTRWNPZQHD-UHFFFAOYSA-N 1 2 329.364 0.201 20 30 ECEDLO C[C@H](CCNc1ccnc(C#N)n1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001106591899 768473482 /nfs/dbraw/zinc/47/34/82/768473482.db2.gz AHMCCYOQULQSCQ-OLZOCXBDSA-N 1 2 327.392 0.925 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nc(CC(=O)NC)no2)C1 ZINC001054965167 768476077 /nfs/dbraw/zinc/47/60/77/768476077.db2.gz DEMHWNZYTYJDDN-NWDGAFQWSA-N 1 2 349.435 0.507 20 30 ECEDLO N#Cc1cnccc1N[C@@H]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001060534835 768556033 /nfs/dbraw/zinc/55/60/33/768556033.db2.gz GNUUPTPFCKDQTG-JLJPHGGASA-N 1 2 336.399 0.921 20 30 ECEDLO N#Cc1ccc(N[C@@H]2CC[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)nn1 ZINC001060534586 768557034 /nfs/dbraw/zinc/55/70/34/768557034.db2.gz BWOKWEPEENOUEF-AEGPPILISA-N 1 2 337.387 0.894 20 30 ECEDLO C=CCOc1cccnc1C(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001031231793 768701310 /nfs/dbraw/zinc/70/13/10/768701310.db2.gz LPKKRWKRIHRYBM-UHFFFAOYSA-N 1 2 327.388 0.994 20 30 ECEDLO C[C@@H]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001018085930 768701929 /nfs/dbraw/zinc/70/19/29/768701929.db2.gz DNKADRLDURQWPE-YPMHNXCESA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001018086402 768702772 /nfs/dbraw/zinc/70/27/72/768702772.db2.gz FYLJMQUFBCXNDJ-DGCLKSJQSA-N 1 2 340.387 0.961 20 30 ECEDLO C=CCOCC(=O)N1C[C@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]2C1 ZINC001055248760 768707161 /nfs/dbraw/zinc/70/71/61/768707161.db2.gz ZWPNBRQNROYDJI-GASCZTMLSA-N 1 2 346.431 0.472 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@H](n2cc(C[NH2+]CCF)nn2)C1 ZINC001098789591 768710512 /nfs/dbraw/zinc/71/05/12/768710512.db2.gz FWZHNTGJGOBBFQ-AWEZNQCLSA-N 1 2 325.388 0.703 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@]2(C)CCOC2)C1=O ZINC001018110703 768739549 /nfs/dbraw/zinc/73/95/49/768739549.db2.gz IYRMBHGNQDPCEI-OLMMMNRUSA-N 1 2 347.459 0.875 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@]2(C)CCOC2)C1=O ZINC001018110703 768739555 /nfs/dbraw/zinc/73/95/55/768739555.db2.gz IYRMBHGNQDPCEI-OLMMMNRUSA-N 1 2 347.459 0.875 20 30 ECEDLO N#Cc1ccc(N[C@@H]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]23)nn1 ZINC001060558507 768822374 /nfs/dbraw/zinc/82/23/74/768822374.db2.gz ZPIMPWQNTPIRMC-KCPJHIHWSA-N 1 2 337.387 0.963 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(=O)n(CCCC)n1 ZINC001018253367 768975859 /nfs/dbraw/zinc/97/58/59/768975859.db2.gz FXNIPTFLCNFIRX-GASCZTMLSA-N 1 2 328.416 0.965 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(=O)n(CCCC)n1 ZINC001018253367 768975865 /nfs/dbraw/zinc/97/58/65/768975865.db2.gz FXNIPTFLCNFIRX-GASCZTMLSA-N 1 2 328.416 0.965 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc(C(N)=O)cc1 ZINC001018279283 769026511 /nfs/dbraw/zinc/02/65/11/769026511.db2.gz GDQIRYXNEMXARP-IYBDPMFKSA-N 1 2 341.411 0.863 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc(C(N)=O)cc1 ZINC001018279283 769026523 /nfs/dbraw/zinc/02/65/23/769026523.db2.gz GDQIRYXNEMXARP-IYBDPMFKSA-N 1 2 341.411 0.863 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cccc(C(N)=O)c1 ZINC001018300274 769054888 /nfs/dbraw/zinc/05/48/88/769054888.db2.gz DNULWLLTOTUKSH-GASCZTMLSA-N 1 2 327.384 0.473 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cccc(C(N)=O)c1 ZINC001018300274 769054899 /nfs/dbraw/zinc/05/48/99/769054899.db2.gz DNULWLLTOTUKSH-GASCZTMLSA-N 1 2 327.384 0.473 20 30 ECEDLO C=CC[N@H+]1CCC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@@H]1C ZINC000993495568 769174646 /nfs/dbraw/zinc/17/46/46/769174646.db2.gz VQWDOOPDNIMYKI-JSGCOSHPSA-N 1 2 326.462 0.966 20 30 ECEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@@H]1C ZINC000993495568 769174652 /nfs/dbraw/zinc/17/46/52/769174652.db2.gz VQWDOOPDNIMYKI-JSGCOSHPSA-N 1 2 326.462 0.966 20 30 ECEDLO C[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001018364376 769205815 /nfs/dbraw/zinc/20/58/15/769205815.db2.gz RRNAIRWZJBBJJJ-AAEUAGOBSA-N 1 2 340.387 0.961 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)c2ncn[nH]2)CC1 ZINC001055615179 769262472 /nfs/dbraw/zinc/26/24/72/769262472.db2.gz PLTLZHIPNLMOIN-ZDUSSCGKSA-N 1 2 348.451 0.717 20 30 ECEDLO CC(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1c1c[nH+]cn1C ZINC000993599743 769343927 /nfs/dbraw/zinc/34/39/27/769343927.db2.gz AOJZPWMBZGFCOM-TZMCWYRMSA-N 1 2 326.360 0.364 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C(C)(F)F)C1 ZINC000993629129 769440757 /nfs/dbraw/zinc/44/07/57/769440757.db2.gz AZDDHOTYVVDFPZ-GMTAPVOTSA-N 1 2 339.346 0.646 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)c2ccc[nH]2)C1 ZINC000993631052 769441909 /nfs/dbraw/zinc/44/19/09/769441909.db2.gz JYVABLUJIHVHQG-OUCADQQQSA-N 1 2 340.387 0.632 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001078357954 782765673 /nfs/dbraw/zinc/76/56/73/782765673.db2.gz FQSKKWIBCWZGOO-DGCLKSJQSA-N 1 2 333.392 0.814 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(NC(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000993829455 769697770 /nfs/dbraw/zinc/69/77/70/769697770.db2.gz JZKLMGNBRTUDEB-LLVKDONJSA-N 1 2 332.429 0.593 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(NC(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000993829455 769697779 /nfs/dbraw/zinc/69/77/79/769697779.db2.gz JZKLMGNBRTUDEB-LLVKDONJSA-N 1 2 332.429 0.593 20 30 ECEDLO CC(C)C#CC(=O)N[C@@]1(CO)CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001055932703 770269220 /nfs/dbraw/zinc/26/92/20/770269220.db2.gz DXHFLZQFJJHWHX-SFHVURJKSA-N 1 2 346.431 0.092 20 30 ECEDLO C#CCOCCC(=O)N(CC)CCNc1[nH+]cnc2c1cnn2C ZINC001106852577 770340696 /nfs/dbraw/zinc/34/06/96/770340696.db2.gz JBMLTVXDLDIPGF-UHFFFAOYSA-N 1 2 330.392 0.664 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cnnn3C)[C@@H]2C)nc1 ZINC000994256103 770457427 /nfs/dbraw/zinc/45/74/27/770457427.db2.gz RKRWCSAPNQRUHA-CJNGLKHVSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cnnn3C)[C@@H]2C)nc1 ZINC000994256103 770457432 /nfs/dbraw/zinc/45/74/32/770457432.db2.gz RKRWCSAPNQRUHA-CJNGLKHVSA-N 1 2 338.415 0.974 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001055998331 770501988 /nfs/dbraw/zinc/50/19/88/770501988.db2.gz PVTBLDQPTLYKMB-QZTJIDSGSA-N 1 2 348.447 0.955 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(c2ccc(C#N)nn2)CC1 ZINC001056046498 770664388 /nfs/dbraw/zinc/66/43/88/770664388.db2.gz RVXVHYZSUNIQCR-GFCCVEGCSA-N 1 2 325.376 0.599 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2ccc(C#N)nn2)CC1 ZINC001056046498 770664395 /nfs/dbraw/zinc/66/43/95/770664395.db2.gz RVXVHYZSUNIQCR-GFCCVEGCSA-N 1 2 325.376 0.599 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@H]1C ZINC000994364434 770665454 /nfs/dbraw/zinc/66/54/54/770665454.db2.gz OBDOMHDWXJWQBI-MNOVXSKESA-N 1 2 328.800 0.260 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@H]1C ZINC000994364434 770665457 /nfs/dbraw/zinc/66/54/57/770665457.db2.gz OBDOMHDWXJWQBI-MNOVXSKESA-N 1 2 328.800 0.260 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H]1C ZINC000994367985 770667442 /nfs/dbraw/zinc/66/74/42/770667442.db2.gz VAHSZZAQJQLIND-VXGBXAGGSA-N 1 2 342.827 0.602 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H]1C ZINC000994367985 770667447 /nfs/dbraw/zinc/66/74/47/770667447.db2.gz VAHSZZAQJQLIND-VXGBXAGGSA-N 1 2 342.827 0.602 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC2(C)CCCC2)[C@H](OC)C1 ZINC001212216571 770742748 /nfs/dbraw/zinc/74/27/48/770742748.db2.gz ORCAJHGIBMQXFW-BZUAXINKSA-N 1 2 349.475 0.910 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC2(C)CCCC2)[C@H](OC)C1 ZINC001212216571 770742753 /nfs/dbraw/zinc/74/27/53/770742753.db2.gz ORCAJHGIBMQXFW-BZUAXINKSA-N 1 2 349.475 0.910 20 30 ECEDLO C[C@@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001056097647 770819707 /nfs/dbraw/zinc/81/97/07/770819707.db2.gz SSJZOSAOYNIUMF-YVEFUNNKSA-N 1 2 347.419 0.317 20 30 ECEDLO N#Cc1nccnc1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001056333058 771139026 /nfs/dbraw/zinc/13/90/26/771139026.db2.gz DZFOCFYOFSZHMV-FOCJUVANSA-N 1 2 349.398 0.358 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC001056401762 771226996 /nfs/dbraw/zinc/22/69/96/771226996.db2.gz KCHCCDGWVOVDOE-PMPSAXMXSA-N 1 2 344.415 0.513 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCn4cc[nH+]c4C3)C2)[nH]1 ZINC000994599852 771261256 /nfs/dbraw/zinc/26/12/56/771261256.db2.gz HCOAAQZRELIWHB-NSHDSACASA-N 1 2 338.371 0.286 20 30 ECEDLO Cc1c(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)nnn1C ZINC001031593042 771362601 /nfs/dbraw/zinc/36/26/01/771362601.db2.gz LSDIWUQRSKNAFR-UHFFFAOYSA-N 1 2 342.378 0.996 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(c2cc[nH+]c(C)n2)CCCO1 ZINC001089536394 771412788 /nfs/dbraw/zinc/41/27/88/771412788.db2.gz FZNSQUDFHVHYHQ-PBHICJAKSA-N 1 2 334.420 0.824 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC(NC(=O)[C@H]3CCc4c[nH+]cn4C3)C2)c1 ZINC000994631761 771498625 /nfs/dbraw/zinc/49/86/25/771498625.db2.gz UBRGULCFJDYKJC-AWEZNQCLSA-N 1 2 349.394 0.463 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(C)=C2CCC2)[C@H](OC)C1 ZINC001212244185 771502179 /nfs/dbraw/zinc/50/21/79/771502179.db2.gz IPBFPWQLBCSSMB-FVQBIDKESA-N 1 2 335.448 0.993 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)=C2CCC2)[C@H](OC)C1 ZINC001212244185 771502182 /nfs/dbraw/zinc/50/21/82/771502182.db2.gz IPBFPWQLBCSSMB-FVQBIDKESA-N 1 2 335.448 0.993 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)C1 ZINC001056682326 771509791 /nfs/dbraw/zinc/50/97/91/771509791.db2.gz SYPGKXJQWKIYTQ-GFCCVEGCSA-N 1 2 325.376 0.727 20 30 ECEDLO C=CCOCC(=O)N1C[C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001056690907 771519539 /nfs/dbraw/zinc/51/95/39/771519539.db2.gz GKKBRBKRIQKBPT-GOEBONIOSA-N 1 2 346.431 0.913 20 30 ECEDLO N#CCSCC(=O)N1C[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001056725434 771560337 /nfs/dbraw/zinc/56/03/37/771560337.db2.gz QOLGHPWZMSRJOG-GXTWGEPZSA-N 1 2 347.444 0.658 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nc(N(C)C)no3)C2)cn1 ZINC001019673819 771702652 /nfs/dbraw/zinc/70/26/52/771702652.db2.gz MJQLDFJXYCIXFP-AWEZNQCLSA-N 1 2 340.387 0.516 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)C1 ZINC001056837843 771706138 /nfs/dbraw/zinc/70/61/38/771706138.db2.gz VEVGFIYWVLHVDJ-CYBMUJFWSA-N 1 2 325.376 0.727 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nc(=O)n(C)[nH]4)[C@H]3C2)C1 ZINC001042228491 782960702 /nfs/dbraw/zinc/96/07/02/782960702.db2.gz UUULRPNMKNFDNP-KGLIPLIRSA-N 1 2 345.447 0.888 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](Cc4nc(=O)n(C)[nH]4)[C@H]3C2)C1 ZINC001042228491 782960705 /nfs/dbraw/zinc/96/07/05/782960705.db2.gz UUULRPNMKNFDNP-KGLIPLIRSA-N 1 2 345.447 0.888 20 30 ECEDLO CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001056952566 771857548 /nfs/dbraw/zinc/85/75/48/771857548.db2.gz NTYGVMXEJAKGOL-CQSZACIVSA-N 1 2 339.403 0.752 20 30 ECEDLO CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001057064443 772023967 /nfs/dbraw/zinc/02/39/67/772023967.db2.gz OYYTWNSJGMAESW-YNEHKIRRSA-N 1 2 337.387 0.912 20 30 ECEDLO CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001057064443 772023971 /nfs/dbraw/zinc/02/39/71/772023971.db2.gz OYYTWNSJGMAESW-YNEHKIRRSA-N 1 2 337.387 0.912 20 30 ECEDLO CC#CCCCC(=O)NCCN(CCO)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001057612721 772815879 /nfs/dbraw/zinc/81/58/79/772815879.db2.gz WKFVXELSFIROCE-MRXNPFEDSA-N 1 2 348.447 0.965 20 30 ECEDLO CN(C(=O)Cc1c[nH+]cn1C)C1CCN(c2cncc(C#N)n2)CC1 ZINC001058059624 773451897 /nfs/dbraw/zinc/45/18/97/773451897.db2.gz OROCBYZCLOFWMF-UHFFFAOYSA-N 1 2 339.403 0.752 20 30 ECEDLO C=CCC1(C(=O)N(CCO)CCNC(=O)Cn2cc[nH+]c2)CCCC1 ZINC001058063375 773459305 /nfs/dbraw/zinc/45/93/05/773459305.db2.gz HYWFBGIHSKUBFE-UHFFFAOYSA-N 1 2 348.447 0.957 20 30 ECEDLO C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CN1c1ccc(C#N)nn1 ZINC001039817868 783145510 /nfs/dbraw/zinc/14/55/10/783145510.db2.gz IXSZGVKEWHYKHU-YPMHNXCESA-N 1 2 325.376 0.788 20 30 ECEDLO N#Cc1nccc(N2CC[C@@H](NC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)n1 ZINC001058475093 774257545 /nfs/dbraw/zinc/25/75/45/774257545.db2.gz ZQTUFMCITDKUMW-QWHCGFSZSA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1nccc(N2CC[C@H](NC(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)n1 ZINC001058481053 774271522 /nfs/dbraw/zinc/27/15/22/774271522.db2.gz HZKCPJGUPUNHME-OLZOCXBDSA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1ccc(N2CC[C@H](NC(=O)[C@H]3CCc4c[nH+]cn4C3)C2)nn1 ZINC001058481459 774272877 /nfs/dbraw/zinc/27/28/77/774272877.db2.gz RZHXTSISVRCLPO-JSGCOSHPSA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1cnccc1N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001044749195 774574318 /nfs/dbraw/zinc/57/43/18/774574318.db2.gz NJIFUMKWKLUZRR-NCZKRNLISA-N 1 2 338.371 0.146 20 30 ECEDLO N#Cc1cnccc1N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001044749195 774574321 /nfs/dbraw/zinc/57/43/21/774574321.db2.gz NJIFUMKWKLUZRR-NCZKRNLISA-N 1 2 338.371 0.146 20 30 ECEDLO CC#CCCCC(=O)NCC1(O)CN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001045002793 774821283 /nfs/dbraw/zinc/82/12/83/774821283.db2.gz GSHMUFUVYMFOJC-HNNXBMFYSA-N 1 2 346.431 0.717 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001045063539 774918510 /nfs/dbraw/zinc/91/85/10/774918510.db2.gz BJPLXFTYANDIPF-ZDUSSCGKSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001045063539 774918514 /nfs/dbraw/zinc/91/85/14/774918514.db2.gz BJPLXFTYANDIPF-ZDUSSCGKSA-N 1 2 334.420 0.634 20 30 ECEDLO N#Cc1nccnc1N1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001045249761 775231059 /nfs/dbraw/zinc/23/10/59/775231059.db2.gz MDGFYYDMOOQXTD-WFASDCNBSA-N 1 2 337.387 0.741 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001044011085 775506338 /nfs/dbraw/zinc/50/63/38/775506338.db2.gz JCVHKQCCERYRHS-INIZCTEOSA-N 1 2 334.420 0.254 20 30 ECEDLO C=CCn1cc(C(=O)N(C)C2C[NH+](CCc3cnn(C)c3)C2)nn1 ZINC001044020734 775533082 /nfs/dbraw/zinc/53/30/82/775533082.db2.gz DJNIPFRXROOMIT-UHFFFAOYSA-N 1 2 329.408 0.197 20 30 ECEDLO C=CCn1cc(C(=O)N(C)C2C[NH+](CCc3cnn(CC)c3)C2)nn1 ZINC001044020759 775533462 /nfs/dbraw/zinc/53/34/62/775533462.db2.gz FAFLMVGYZLQIKW-UHFFFAOYSA-N 1 2 343.435 0.679 20 30 ECEDLO C=CCCCC(=O)NCC1(O)CN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001045462741 775646541 /nfs/dbraw/zinc/64/65/41/775646541.db2.gz NTMDECRMAJTYOI-UHFFFAOYSA-N 1 2 347.415 0.679 20 30 ECEDLO C=CCC1(C(=O)N2CC(O)(CNC(=O)CCn3cc[nH+]c3)C2)CCC1 ZINC001044138132 775771131 /nfs/dbraw/zinc/77/11/31/775771131.db2.gz YGAWIPXPSOCJDZ-UHFFFAOYSA-N 1 2 346.431 0.709 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](C[C@H](O)Cn3cccn3)C2)cn1 ZINC001044204136 775914841 /nfs/dbraw/zinc/91/48/41/775914841.db2.gz SMKDFLDSOKQXMC-KRWDZBQOSA-N 1 2 339.399 0.077 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2noc3c2CCCC3)[C@@H](n2ccnn2)C1 ZINC001070037365 790411625 /nfs/dbraw/zinc/41/16/25/790411625.db2.gz TWUDVFSRLFCPAF-KGLIPLIRSA-N 1 2 342.403 0.986 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2noc3c2CCCC3)[C@@H](n2ccnn2)C1 ZINC001070037365 790411631 /nfs/dbraw/zinc/41/16/31/790411631.db2.gz TWUDVFSRLFCPAF-KGLIPLIRSA-N 1 2 342.403 0.986 20 30 ECEDLO Cc1cc(NC[C@H]2C[C@H](NC(=O)Cc3c[nH+]cn3C)C2)c(C#N)cn1 ZINC001068506863 790435143 /nfs/dbraw/zinc/43/51/43/790435143.db2.gz ZFCPOQOWYKEDLT-CTYIDZIISA-N 1 2 338.415 0.967 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+](CC#C)C[C@@H]2n2ccnn2)cc1 ZINC001070045461 790438079 /nfs/dbraw/zinc/43/80/79/790438079.db2.gz BLMBDROBRSFVLY-MSOLQXFVSA-N 1 2 349.394 0.579 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CC#C)C[C@@H]2n2ccnn2)cc1 ZINC001070045461 790438083 /nfs/dbraw/zinc/43/80/83/790438083.db2.gz BLMBDROBRSFVLY-MSOLQXFVSA-N 1 2 349.394 0.579 20 30 ECEDLO C#CCCCCCC(=O)NCC1(O)CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001044484030 776346273 /nfs/dbraw/zinc/34/62/73/776346273.db2.gz FWLZANJLWOUUAS-UHFFFAOYSA-N 1 2 346.431 0.546 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccn3ccnc23)[C@@H](n2ccnn2)C1 ZINC001070051680 790456250 /nfs/dbraw/zinc/45/62/50/790456250.db2.gz JWHOQNVMEMTUSJ-CABCVRRESA-N 1 2 335.371 0.214 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccn3ccnc23)[C@@H](n2ccnn2)C1 ZINC001070051680 790456258 /nfs/dbraw/zinc/45/62/58/790456258.db2.gz JWHOQNVMEMTUSJ-CABCVRRESA-N 1 2 335.371 0.214 20 30 ECEDLO C=CCCC(=O)NCC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCOCC1 ZINC001070052126 790457996 /nfs/dbraw/zinc/45/79/96/790457996.db2.gz ICZYZIIZSFJYKO-CQSZACIVSA-N 1 2 339.436 0.065 20 30 ECEDLO C=CCCC(=O)NCC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC001070052126 790458000 /nfs/dbraw/zinc/45/80/00/790458000.db2.gz ICZYZIIZSFJYKO-CQSZACIVSA-N 1 2 339.436 0.065 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnn3ccccc23)[C@@H](n2ccnn2)C1 ZINC001070055762 790466548 /nfs/dbraw/zinc/46/65/48/790466548.db2.gz OMBQIHGOCBQEPE-WBVHZDCISA-N 1 2 349.398 0.604 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnn3ccccc23)[C@@H](n2ccnn2)C1 ZINC001070055762 790466558 /nfs/dbraw/zinc/46/65/58/790466558.db2.gz OMBQIHGOCBQEPE-WBVHZDCISA-N 1 2 349.398 0.604 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(OC)o2)[C@@H](n2ccnn2)C1 ZINC001070061810 790480576 /nfs/dbraw/zinc/48/05/76/790480576.db2.gz YYHFBDNDBSMOSC-OLZOCXBDSA-N 1 2 329.360 0.558 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)o2)[C@@H](n2ccnn2)C1 ZINC001070061810 790480581 /nfs/dbraw/zinc/48/05/81/790480581.db2.gz YYHFBDNDBSMOSC-OLZOCXBDSA-N 1 2 329.360 0.558 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001079774535 776845753 /nfs/dbraw/zinc/84/57/53/776845753.db2.gz FRXFYOBAOXUYGB-CYBMUJFWSA-N 1 2 332.404 0.440 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2Cl)[C@@H](n2ccnn2)C1 ZINC001070073237 790510752 /nfs/dbraw/zinc/51/07/52/790510752.db2.gz AVXKRNMGDWQITQ-OLZOCXBDSA-N 1 2 347.810 0.344 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cn(C)nc2Cl)[C@@H](n2ccnn2)C1 ZINC001070073237 790510762 /nfs/dbraw/zinc/51/07/62/790510762.db2.gz AVXKRNMGDWQITQ-OLZOCXBDSA-N 1 2 347.810 0.344 20 30 ECEDLO C=CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001079981328 777188027 /nfs/dbraw/zinc/18/80/27/777188027.db2.gz OFTKMNVXUAZTFL-CYBMUJFWSA-N 1 2 334.420 0.613 20 30 ECEDLO CCN(C(=O)Cc1c[nH+]ccc1OC)C1CN(C(=O)[C@@H](C)C#N)C1 ZINC001080015428 777233897 /nfs/dbraw/zinc/23/38/97/777233897.db2.gz KXIMXGRRMCCYOR-LBPRGKRZSA-N 1 2 330.388 0.852 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)NCC1(O)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001043202438 777946817 /nfs/dbraw/zinc/94/68/17/777946817.db2.gz JYVZSBNCAQDRSF-UHFFFAOYSA-N 1 2 340.811 0.420 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001043225803 778000609 /nfs/dbraw/zinc/00/06/09/778000609.db2.gz FJOKYSCCZFLSTJ-CYBMUJFWSA-N 1 2 348.447 0.880 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001043225803 778000622 /nfs/dbraw/zinc/00/06/22/778000622.db2.gz FJOKYSCCZFLSTJ-CYBMUJFWSA-N 1 2 348.447 0.880 20 30 ECEDLO C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(C#N)n2)C1)n1cc[nH+]c1 ZINC001043543574 778498811 /nfs/dbraw/zinc/49/88/11/778498811.db2.gz PMWFJPRJFNRCDV-MGPQQGTHSA-N 1 2 339.403 0.877 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C(C)(C)C)C1 ZINC001043648651 778664373 /nfs/dbraw/zinc/66/43/73/778664373.db2.gz DEQMABPHERFZIM-CABCVRRESA-N 1 2 349.475 0.456 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H](C)C(C)(C)C)C1 ZINC001043648651 778664374 /nfs/dbraw/zinc/66/43/74/778664374.db2.gz DEQMABPHERFZIM-CABCVRRESA-N 1 2 349.475 0.456 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H](C)C(C)C)C1 ZINC001043649184 778665056 /nfs/dbraw/zinc/66/50/56/778665056.db2.gz MYRFHDURGODVKQ-CABCVRRESA-N 1 2 335.448 0.066 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H](C)C(C)C)C1 ZINC001043649184 778665062 /nfs/dbraw/zinc/66/50/62/778665062.db2.gz MYRFHDURGODVKQ-CABCVRRESA-N 1 2 335.448 0.066 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@]2(C)C=CCC2)C1 ZINC001043651590 778669708 /nfs/dbraw/zinc/66/97/08/778669708.db2.gz JPCSTXKEJUQHAW-MAUKXSAKSA-N 1 2 345.443 0.130 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@]2(C)C=CCC2)C1 ZINC001043651590 778669714 /nfs/dbraw/zinc/66/97/14/778669714.db2.gz JPCSTXKEJUQHAW-MAUKXSAKSA-N 1 2 345.443 0.130 20 30 ECEDLO C=CC(C)(C)C(=O)NC[C@H]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)O1 ZINC001068600738 790680056 /nfs/dbraw/zinc/68/00/56/790680056.db2.gz QMBVXVURODJBNP-CQSZACIVSA-N 1 2 346.431 0.972 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CC[C@@H](CNC(=O)[C@@H](C)C#N)O2 ZINC001068620944 790731854 /nfs/dbraw/zinc/73/18/54/790731854.db2.gz ULKBOJQVXUPGPP-AAEUAGOBSA-N 1 2 345.403 0.297 20 30 ECEDLO C[C@@H](C#N)C(=O)NCC1(NC(=O)CCc2c[nH]c[nH+]2)CCOCC1 ZINC001070147464 790751930 /nfs/dbraw/zinc/75/19/30/790751930.db2.gz IPLQTGIMKLXRGJ-LBPRGKRZSA-N 1 2 333.392 0.284 20 30 ECEDLO C[C@@H](C#N)C(=O)NCC1(NC(=O)CCc2c[nH+]c[nH]2)CCOCC1 ZINC001070147464 790751933 /nfs/dbraw/zinc/75/19/33/790751933.db2.gz IPLQTGIMKLXRGJ-LBPRGKRZSA-N 1 2 333.392 0.284 20 30 ECEDLO CN(C(=O)[C@@H]1COC(=O)N1)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001042675470 780626366 /nfs/dbraw/zinc/62/63/66/780626366.db2.gz RNIFGUKVOLQKAG-HNNXBMFYSA-N 1 2 344.371 0.340 20 30 ECEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnco2)C1 ZINC001079140394 780805301 /nfs/dbraw/zinc/80/53/01/780805301.db2.gz GEVQSHONPYRXET-HZPDHXFCSA-N 1 2 325.368 0.995 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnco2)C1 ZINC001079140394 780805312 /nfs/dbraw/zinc/80/53/12/780805312.db2.gz GEVQSHONPYRXET-HZPDHXFCSA-N 1 2 325.368 0.995 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001042827711 780900346 /nfs/dbraw/zinc/90/03/46/780900346.db2.gz WIOYPSAZOIBCPX-UHFFFAOYSA-N 1 2 332.404 0.388 20 30 ECEDLO C#CCC1(C(=O)N2CC(N(CC)C(=O)[C@H]3C[N@H+](C)CCO3)C2)CCC1 ZINC001079547283 781255695 /nfs/dbraw/zinc/25/56/95/781255695.db2.gz POUORJLCCNFADA-MRXNPFEDSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CCC1(C(=O)N2CC(N(CC)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CCC1 ZINC001079547283 781255698 /nfs/dbraw/zinc/25/56/98/781255698.db2.gz POUORJLCCNFADA-MRXNPFEDSA-N 1 2 347.459 0.570 20 30 ECEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)[nH]1 ZINC001077692696 781525533 /nfs/dbraw/zinc/52/55/33/781525533.db2.gz ZUTFOVMFXIYVRJ-IAGOWNOFSA-N 1 2 338.411 0.853 20 30 ECEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)[nH]1 ZINC001077692696 781525539 /nfs/dbraw/zinc/52/55/39/781525539.db2.gz ZUTFOVMFXIYVRJ-IAGOWNOFSA-N 1 2 338.411 0.853 20 30 ECEDLO N#Cc1cnccc1NC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC001041533304 781715708 /nfs/dbraw/zinc/71/57/08/781715708.db2.gz BGZNTSGHJOQYRR-OAHLLOKOSA-N 1 2 340.387 0.370 20 30 ECEDLO C=CCCOCC(=O)N[C@@H](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001077813363 781742805 /nfs/dbraw/zinc/74/28/05/781742805.db2.gz JRRVHLHCXRRVQO-AWEZNQCLSA-N 1 2 336.436 0.956 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2C2CCOCC2)C1 ZINC001077814178 781747264 /nfs/dbraw/zinc/74/72/64/781747264.db2.gz XDFKLBGJSBDTNN-GDBMZVCRSA-N 1 2 332.404 0.033 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2C2CCOCC2)C1 ZINC001077814178 781747268 /nfs/dbraw/zinc/74/72/68/781747268.db2.gz XDFKLBGJSBDTNN-GDBMZVCRSA-N 1 2 332.404 0.033 20 30 ECEDLO CC(C)(C)C#CC(=O)N1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040696153 783286472 /nfs/dbraw/zinc/28/64/72/783286472.db2.gz YXFQNVUNOZPADA-KRWDZBQOSA-N 1 2 332.404 0.081 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040696838 783288713 /nfs/dbraw/zinc/28/87/13/783288713.db2.gz NQSARRZEGGIMSJ-SUMWQHHRSA-N 1 2 334.420 0.634 20 30 ECEDLO CC#CCCCC(=O)N1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040697855 783290986 /nfs/dbraw/zinc/29/09/86/783290986.db2.gz VURLGHYVDBJEJS-QGZVFWFLSA-N 1 2 332.404 0.225 20 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/nfs/dbraw/zinc/49/92/28/786499228.db2.gz KREWTUFTVZZMJF-IRXDYDNUSA-N 1 2 330.432 0.771 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3ccn(CC)n3)C[C@@H]21 ZINC001074244881 786499230 /nfs/dbraw/zinc/49/92/30/786499230.db2.gz KREWTUFTVZZMJF-IRXDYDNUSA-N 1 2 330.432 0.771 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3c(C)nnn3CC)C[C@H]21 ZINC001074264266 786541543 /nfs/dbraw/zinc/54/15/43/786541543.db2.gz RVIVELVDBIWNBV-CABCVRRESA-N 1 2 331.420 0.545 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3c(C)nnn3CC)C[C@H]21 ZINC001074264266 786541545 /nfs/dbraw/zinc/54/15/45/786541545.db2.gz RVIVELVDBIWNBV-CABCVRRESA-N 1 2 331.420 0.545 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnc4n[nH]nc4c3)C[C@@H]21 ZINC001074266529 786545671 /nfs/dbraw/zinc/54/56/71/786545671.db2.gz LYJQOVUWMYAJGG-GJZGRUSLSA-N 1 2 340.387 0.292 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnc4n[nH]nc4c3)C[C@@H]21 ZINC001074266529 786545676 /nfs/dbraw/zinc/54/56/76/786545676.db2.gz LYJQOVUWMYAJGG-GJZGRUSLSA-N 1 2 340.387 0.292 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C[C@@H]21 ZINC001074268263 786550118 /nfs/dbraw/zinc/55/01/18/786550118.db2.gz HEYAHXBBCMBMGK-GJZGRUSLSA-N 1 2 332.404 0.272 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C[C@@H]21 ZINC001074268263 786550122 /nfs/dbraw/zinc/55/01/22/786550122.db2.gz HEYAHXBBCMBMGK-GJZGRUSLSA-N 1 2 332.404 0.272 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001073572266 786645860 /nfs/dbraw/zinc/64/58/60/786645860.db2.gz VVMRCGXISQDNGB-CHWSQXEVSA-N 1 2 329.828 0.472 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001073572266 786645866 /nfs/dbraw/zinc/64/58/66/786645866.db2.gz VVMRCGXISQDNGB-CHWSQXEVSA-N 1 2 329.828 0.472 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3OCC[N@@H+](CCCO)[C@@H]3C2)cc1 ZINC001074312322 786653711 /nfs/dbraw/zinc/65/37/11/786653711.db2.gz LRLXKPPSLLCZBY-MSOLQXFVSA-N 1 2 328.412 0.966 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3OCC[N@H+](CCCO)[C@@H]3C2)cc1 ZINC001074312322 786653716 /nfs/dbraw/zinc/65/37/16/786653716.db2.gz LRLXKPPSLLCZBY-MSOLQXFVSA-N 1 2 328.412 0.966 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(CCC=C)nn3)C[C@@H]21 ZINC001074353833 786738525 /nfs/dbraw/zinc/73/85/25/786738525.db2.gz HIIUFNMKSRYNQA-IRXDYDNUSA-N 1 2 343.431 0.793 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(CCC=C)nn3)C[C@@H]21 ZINC001074353833 786738532 /nfs/dbraw/zinc/73/85/32/786738532.db2.gz HIIUFNMKSRYNQA-IRXDYDNUSA-N 1 2 343.431 0.793 20 30 ECEDLO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnc3cc[nH]cc-3c2=O)C1 ZINC001073623771 786793859 /nfs/dbraw/zinc/79/38/59/786793859.db2.gz QLRPIDRZYDVCNA-CYBMUJFWSA-N 1 2 340.383 0.377 20 30 ECEDLO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnc3cc[nH]cc-3c2=O)C1 ZINC001073623771 786793864 /nfs/dbraw/zinc/79/38/64/786793864.db2.gz QLRPIDRZYDVCNA-CYBMUJFWSA-N 1 2 340.383 0.377 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCN3CCCC3=O)C[C@@H]21 ZINC001074402810 786866637 /nfs/dbraw/zinc/86/66/37/786866637.db2.gz MCSADQARQZKDQQ-JKSUJKDBSA-N 1 2 335.448 0.877 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCN3CCCC3=O)C[C@@H]21 ZINC001074402810 786866649 /nfs/dbraw/zinc/86/66/49/786866649.db2.gz MCSADQARQZKDQQ-JKSUJKDBSA-N 1 2 335.448 0.877 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@@H]21 ZINC001074410147 786894918 /nfs/dbraw/zinc/89/49/18/786894918.db2.gz MYJKXBUMZOABQK-GJZGRUSLSA-N 1 2 342.399 0.119 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@@H]21 ZINC001074410147 786894925 /nfs/dbraw/zinc/89/49/25/786894925.db2.gz MYJKXBUMZOABQK-GJZGRUSLSA-N 1 2 342.399 0.119 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C[C@@H]21 ZINC001074414788 786911452 /nfs/dbraw/zinc/91/14/52/786911452.db2.gz FKBQBFGQNJMXTO-DZGCQCFKSA-N 1 2 334.420 0.215 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C[C@@H]21 ZINC001074414788 786911462 /nfs/dbraw/zinc/91/14/62/786911462.db2.gz FKBQBFGQNJMXTO-DZGCQCFKSA-N 1 2 334.420 0.215 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+](CC(=O)NC)CCCO2)cc1 ZINC001073724432 787064748 /nfs/dbraw/zinc/06/47/48/787064748.db2.gz VJRJTQOUILTUTD-INIZCTEOSA-N 1 2 329.400 0.235 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC)CCCO2)cc1 ZINC001073724432 787064754 /nfs/dbraw/zinc/06/47/54/787064754.db2.gz VJRJTQOUILTUTD-INIZCTEOSA-N 1 2 329.400 0.235 20 30 ECEDLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1NC(=O)CSCC#N ZINC001073743675 787103722 /nfs/dbraw/zinc/10/37/22/787103722.db2.gz CKCSBJCFYTXZKP-ZIAGYGMSSA-N 1 2 349.460 0.883 20 30 ECEDLO C#CCCCCC(=O)N1CCC(O)(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001074555308 787248516 /nfs/dbraw/zinc/24/85/16/787248516.db2.gz VBAJNIRCPAHTKY-UHFFFAOYSA-N 1 2 346.431 0.616 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001073820351 787264347 /nfs/dbraw/zinc/26/43/47/787264347.db2.gz RKHRKBLWEUKGND-DZGCQCFKSA-N 1 2 334.420 0.518 20 30 ECEDLO O=C(C#CC1CC1)NCC1(O)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001074567791 787281229 /nfs/dbraw/zinc/28/12/29/787281229.db2.gz ZJRBWYKYTGMXHP-UHFFFAOYSA-N 1 2 344.415 0.225 20 30 ECEDLO C[C@H](CC(=O)N1CCC(O)(CNC(=O)[C@@H](C)C#N)CC1)n1cc[nH+]c1 ZINC001074590751 787339644 /nfs/dbraw/zinc/33/96/44/787339644.db2.gz AJWGCAPIJGLSMV-UONOGXRCSA-N 1 2 347.419 0.464 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001074632084 787454217 /nfs/dbraw/zinc/45/42/17/787454217.db2.gz UDWPIPQYIAKZFU-CABCVRRESA-N 1 2 348.447 0.811 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)CC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001073921739 787530331 /nfs/dbraw/zinc/53/03/31/787530331.db2.gz QUFYQCMAJJFPCC-QWHCGFSZSA-N 1 2 349.460 0.952 20 30 ECEDLO CC#CCCCC(=O)N1CCC(O)(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001074680963 787578964 /nfs/dbraw/zinc/57/89/64/787578964.db2.gz JOBBCVPLCXSESQ-UHFFFAOYSA-N 1 2 346.431 0.616 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001073960999 787590018 /nfs/dbraw/zinc/59/00/18/787590018.db2.gz VPBFRLAPUPDZTF-GDBMZVCRSA-N 1 2 346.431 0.735 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001073960999 787590023 /nfs/dbraw/zinc/59/00/23/787590023.db2.gz VPBFRLAPUPDZTF-GDBMZVCRSA-N 1 2 346.431 0.735 20 30 ECEDLO N#CCN1CC[NH+](Cc2ccc(CNC(=O)c3cn[nH]n3)cc2)CC1 ZINC001074112399 787901952 /nfs/dbraw/zinc/90/19/52/787901952.db2.gz XOGZHEJFFKQATO-UHFFFAOYSA-N 1 2 339.403 0.376 20 30 ECEDLO N#CCN1CC[NH+](Cc2ccc(CNC(=O)c3cnn[nH]3)cc2)CC1 ZINC001074112399 787901956 /nfs/dbraw/zinc/90/19/56/787901956.db2.gz XOGZHEJFFKQATO-UHFFFAOYSA-N 1 2 339.403 0.376 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001072735564 788668920 /nfs/dbraw/zinc/66/89/20/788668920.db2.gz HKUFVLBPXJPEKZ-UHFFFAOYSA-N 1 2 341.213 0.116 20 30 ECEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)Cn3ncnn3)C2)C1 ZINC001072735564 788668924 /nfs/dbraw/zinc/66/89/24/788668924.db2.gz HKUFVLBPXJPEKZ-UHFFFAOYSA-N 1 2 341.213 0.116 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001075078955 788863313 /nfs/dbraw/zinc/86/33/13/788863313.db2.gz FUWGCGRBDGELEN-LSDHHAIUSA-N 1 2 346.431 0.498 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)CSCC#N ZINC001075080968 788868278 /nfs/dbraw/zinc/86/82/78/788868278.db2.gz BRGLEPWOSPJKSN-CHWSQXEVSA-N 1 2 349.460 0.715 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)c3cn[nH]n3)C2)C1 ZINC001072888396 789034185 /nfs/dbraw/zinc/03/41/85/789034185.db2.gz HGBODPVFYKMPFS-UHFFFAOYSA-N 1 2 326.198 0.861 20 30 ECEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)c3cn[nH]n3)C2)C1 ZINC001072888396 789034193 /nfs/dbraw/zinc/03/41/93/789034193.db2.gz HGBODPVFYKMPFS-UHFFFAOYSA-N 1 2 326.198 0.861 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC1(C)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001073165114 789557865 /nfs/dbraw/zinc/55/78/65/789557865.db2.gz UJMDFKCHUHIOHV-SFHVURJKSA-N 1 2 348.447 0.787 20 30 ECEDLO C[C@@H](CCNC(=O)CSCC#N)NC(=O)CCc1[nH+]ccn1C ZINC001075676005 789638888 /nfs/dbraw/zinc/63/88/88/789638888.db2.gz XSEPYSBNVIXYFW-LBPRGKRZSA-N 1 2 337.449 0.620 20 30 ECEDLO N#Cc1nccc(NC[C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001069483113 789855186 /nfs/dbraw/zinc/85/51/86/789855186.db2.gz DNYZKHTVVQPZJN-RYUDHWBXSA-N 1 2 325.376 0.433 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC001073472196 789875682 /nfs/dbraw/zinc/87/56/82/789875682.db2.gz CSDZPVNSGRPPDQ-AWEZNQCLSA-N 1 2 346.431 0.735 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](Nc2ccnc(C#N)n2)C(C)(C)C1 ZINC001069579227 789915936 /nfs/dbraw/zinc/91/59/36/789915936.db2.gz AGJUCVUAWBNFSQ-ZDUSSCGKSA-N 1 2 339.403 0.693 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3C[C@@H]3C(=O)OC)c2C1 ZINC001069854264 790101253 /nfs/dbraw/zinc/10/12/53/790101253.db2.gz BOZIQZBNZWGVSB-KGLIPLIRSA-N 1 2 332.404 0.700 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3C[C@@H]3C(=O)OC)c2C1 ZINC001069854264 790101257 /nfs/dbraw/zinc/10/12/57/790101257.db2.gz BOZIQZBNZWGVSB-KGLIPLIRSA-N 1 2 332.404 0.700 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3COCCN3C)c2C1 ZINC001069857795 790107284 /nfs/dbraw/zinc/10/72/84/790107284.db2.gz MJNCFRARKDUTSW-MRXNPFEDSA-N 1 2 333.436 0.222 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3COCCN3C)c2C1 ZINC001069857795 790107286 /nfs/dbraw/zinc/10/72/86/790107286.db2.gz MJNCFRARKDUTSW-MRXNPFEDSA-N 1 2 333.436 0.222 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CCC(=O)NC3)c2C1 ZINC001069866589 790124625 /nfs/dbraw/zinc/12/46/25/790124625.db2.gz XTYTYCAIAXSGON-CYBMUJFWSA-N 1 2 331.420 0.417 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CCC(=O)NC3)c2C1 ZINC001069866589 790124630 /nfs/dbraw/zinc/12/46/30/790124630.db2.gz XTYTYCAIAXSGON-CYBMUJFWSA-N 1 2 331.420 0.417 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CCNC(=O)CC3)c2C1 ZINC001069869058 790128286 /nfs/dbraw/zinc/12/82/86/790128286.db2.gz UHHCEQWDEXLXRM-AWEZNQCLSA-N 1 2 345.447 0.807 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CCNC(=O)CC3)c2C1 ZINC001069869058 790128290 /nfs/dbraw/zinc/12/82/90/790128290.db2.gz UHHCEQWDEXLXRM-AWEZNQCLSA-N 1 2 345.447 0.807 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CC[C@@H]3C(N)=O)c2C1 ZINC001069869381 790129069 /nfs/dbraw/zinc/12/90/69/790129069.db2.gz KAQIBEONWMWETI-UONOGXRCSA-N 1 2 331.420 0.403 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CC[C@@H]3C(N)=O)c2C1 ZINC001069869381 790129072 /nfs/dbraw/zinc/12/90/72/790129072.db2.gz KAQIBEONWMWETI-UONOGXRCSA-N 1 2 331.420 0.403 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3cccc(=O)n3C)c2C1 ZINC001069873066 790135214 /nfs/dbraw/zinc/13/52/14/790135214.db2.gz ORHGYLOEBBVZSA-UHFFFAOYSA-N 1 2 341.415 0.904 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3cccc(=O)n3C)c2C1 ZINC001069873066 790135218 /nfs/dbraw/zinc/13/52/18/790135218.db2.gz ORHGYLOEBBVZSA-UHFFFAOYSA-N 1 2 341.415 0.904 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)ncn2)[C@@H](n2ccnn2)C1 ZINC001069910922 790180140 /nfs/dbraw/zinc/18/01/40/790180140.db2.gz OLQDXUNCPAGSSW-CABCVRRESA-N 1 2 325.376 0.055 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)ncn2)[C@@H](n2ccnn2)C1 ZINC001069910922 790180144 /nfs/dbraw/zinc/18/01/44/790180144.db2.gz OLQDXUNCPAGSSW-CABCVRRESA-N 1 2 325.376 0.055 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cn(C(C)(C)C)nn2)[C@@H](n2ccnn2)C1 ZINC001069943389 790220387 /nfs/dbraw/zinc/22/03/87/790220387.db2.gz QNOWBYMTYIFNQQ-OCCSQVGLSA-N 1 2 344.423 0.466 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cn(C(C)(C)C)nn2)[C@@H](n2ccnn2)C1 ZINC001069943389 790220389 /nfs/dbraw/zinc/22/03/89/790220389.db2.gz QNOWBYMTYIFNQQ-OCCSQVGLSA-N 1 2 344.423 0.466 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cn(C)nc2C(F)F)[C@@H](n2ccnn2)C1 ZINC001069947042 790226647 /nfs/dbraw/zinc/22/66/47/790226647.db2.gz HCXXYACISNRRIE-NEPJUHHUSA-N 1 2 349.345 0.238 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2C(F)F)[C@@H](n2ccnn2)C1 ZINC001069947042 790226651 /nfs/dbraw/zinc/22/66/51/790226651.db2.gz HCXXYACISNRRIE-NEPJUHHUSA-N 1 2 349.345 0.238 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc3cccn3cn2)[C@@H](n2ccnn2)C1 ZINC001069957091 790239033 /nfs/dbraw/zinc/23/90/33/790239033.db2.gz QAQHHSLDXHSSOQ-CVEARBPZSA-N 1 2 337.387 0.767 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc3cccn3cn2)[C@@H](n2ccnn2)C1 ZINC001069957091 790239036 /nfs/dbraw/zinc/23/90/36/790239036.db2.gz QAQHHSLDXHSSOQ-CVEARBPZSA-N 1 2 337.387 0.767 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001068838880 791234993 /nfs/dbraw/zinc/23/49/93/791234993.db2.gz LPPWYFBWFXXFIQ-AWEZNQCLSA-N 1 2 330.388 0.173 20 30 ECEDLO Cc1nc(NC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CCO2)ccc1C#N ZINC001066681255 791977682 /nfs/dbraw/zinc/97/76/82/791977682.db2.gz VXOLYXHUSFYWSR-OAHLLOKOSA-N 1 2 340.387 0.867 20 30 ECEDLO Cc1cc(C#N)nc(NC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CCO2)n1 ZINC001066681041 791977733 /nfs/dbraw/zinc/97/77/33/791977733.db2.gz RJFBPPKDKIHPII-AWEZNQCLSA-N 1 2 341.375 0.262 20 30 ECEDLO C[C@H]1C[C@@H]1C(=O)N1CC[C@H]([NH+]2CCN(c3nccnc3C#N)CC2)C1 ZINC001066701017 792027944 /nfs/dbraw/zinc/02/79/44/792027944.db2.gz NXSYBUGIYCQBGK-KKUMJFAQSA-N 1 2 340.431 0.727 20 30 ECEDLO N#Cc1nccnc1N1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001066793519 792174573 /nfs/dbraw/zinc/17/45/73/792174573.db2.gz IJELSIIVALHYIS-GFCCVEGCSA-N 1 2 325.376 0.789 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1)c1ccc(C#N)cn1 ZINC001067748846 792220967 /nfs/dbraw/zinc/22/09/67/792220967.db2.gz GWXVGZJWUOYZKX-HOTGVXAUSA-N 1 2 343.431 0.711 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccc(C#N)cn1 ZINC001067748846 792220971 /nfs/dbraw/zinc/22/09/71/792220971.db2.gz GWXVGZJWUOYZKX-HOTGVXAUSA-N 1 2 343.431 0.711 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1)c1ccc(C#N)cn1 ZINC001067748848 792221328 /nfs/dbraw/zinc/22/13/28/792221328.db2.gz GWXVGZJWUOYZKX-JKSUJKDBSA-N 1 2 343.431 0.711 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1)c1ccc(C#N)cn1 ZINC001067748848 792221350 /nfs/dbraw/zinc/22/13/50/792221350.db2.gz GWXVGZJWUOYZKX-JKSUJKDBSA-N 1 2 343.431 0.711 20 30 ECEDLO CN(CCCN(C)C(=O)CSCC#N)C(=O)CCn1cc[nH+]c1 ZINC001066873316 792245241 /nfs/dbraw/zinc/24/52/41/792245241.db2.gz KRBDSQYREYSUJK-UHFFFAOYSA-N 1 2 337.449 0.837 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C)c1cncc(C#N)n1 ZINC001067767488 792255385 /nfs/dbraw/zinc/25/53/85/792255385.db2.gz BYVFIDOTPWEDCA-CQSZACIVSA-N 1 2 339.403 0.752 20 30 ECEDLO N#Cc1ccc(N[C@@]2(CO)CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC001066910407 792360838 /nfs/dbraw/zinc/36/08/38/792360838.db2.gz OBGANUWOLNEDIN-KRWDZBQOSA-N 1 2 340.387 0.684 20 30 ECEDLO C[C@@H]1CCN(c2cncc(C#N)n2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067964524 792514996 /nfs/dbraw/zinc/51/49/96/792514996.db2.gz FFQOACYZKKGFQX-TZMCWYRMSA-N 1 2 325.376 0.576 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1Nc1ccnc(C#N)n1 ZINC001067083894 792682123 /nfs/dbraw/zinc/68/21/23/792682123.db2.gz HZTKBIRKBXIUHU-NWDGAFQWSA-N 1 2 325.376 0.385 20 30 ECEDLO CC1(C)CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001068139484 792735558 /nfs/dbraw/zinc/73/55/58/792735558.db2.gz DYRWUOXPPNSGEY-CYBMUJFWSA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@@H](Nc1ccncc1C#N)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001068236463 792895211 /nfs/dbraw/zinc/89/52/11/792895211.db2.gz IQIQYIDECRBGMG-DOMZBBRYSA-N 1 2 340.387 0.369 20 30 ECEDLO C[C@H]1CN(c2cnc(C#N)cn2)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067406286 793109004 /nfs/dbraw/zinc/10/90/04/793109004.db2.gz VFGXSMKFNRMPRS-WFASDCNBSA-N 1 2 339.403 0.655 20 30 ECEDLO C[C@@H]1C[C@H](CNc2ccnc(C#N)n2)CN1C(=O)CCn1cc[nH+]c1 ZINC001068362865 793128204 /nfs/dbraw/zinc/12/82/04/793128204.db2.gz YYTGOPBBQNABFZ-ZIAGYGMSSA-N 1 2 339.403 0.706 20 30 ECEDLO C[C@H]1CN(c2ccnc(C#N)n2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067439727 793162471 /nfs/dbraw/zinc/16/24/71/793162471.db2.gz FUPZVJPTWJUFPP-WCQYABFASA-N 1 2 325.376 0.645 20 30 ECEDLO CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#CCOC)N1CCCC1=O ZINC001267536969 837715920 /nfs/dbraw/zinc/71/59/20/837715920.db2.gz AGUILFMUVJCLLC-BBWFWOEESA-N 1 2 347.459 0.712 20 30 ECEDLO CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#CCOC)N1CCCC1=O ZINC001267536969 837715925 /nfs/dbraw/zinc/71/59/25/837715925.db2.gz AGUILFMUVJCLLC-BBWFWOEESA-N 1 2 347.459 0.712 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCN(CCNC(=O)[C@H](C)CC)CC2)C1=O ZINC001266279365 835607222 /nfs/dbraw/zinc/60/72/22/835607222.db2.gz NLPSCFYTPMDGKX-CVEARBPZSA-N 1 2 336.480 0.553 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN(CCNC(=O)C=C3CCC3)CC2)C1=O ZINC001266283495 835614787 /nfs/dbraw/zinc/61/47/87/835614787.db2.gz PSSISWHKKVDMMI-QGZVFWFLSA-N 1 2 346.475 0.617 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CCNC(=O)C=C(CC)CC)CC1 ZINC001266283648 835615259 /nfs/dbraw/zinc/61/52/59/835615259.db2.gz SMVOWIBXCUUBNI-UHFFFAOYSA-N 1 2 334.464 0.216 20 30 ECEDLO C=CC(C)(C)C(=O)NCCN1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC001266290009 835633578 /nfs/dbraw/zinc/63/35/78/835633578.db2.gz JYANAGMNMYXDEX-UHFFFAOYSA-N 1 2 338.496 0.801 20 30 ECEDLO COc1ccc(OC)c(C(=O)NCC[NH+]2CCN(CC#N)CC2)c1 ZINC001266296724 835644514 /nfs/dbraw/zinc/64/45/14/835644514.db2.gz DZIBADSHVTZUDF-UHFFFAOYSA-N 1 2 332.404 0.575 20 30 ECEDLO C[N@H+](CCNC(=O)c1ccc2c(c1)CCOC2)CC(=O)NCC#N ZINC001266297594 835647825 /nfs/dbraw/zinc/64/78/25/835647825.db2.gz PEDMIXWUKLOQJL-UHFFFAOYSA-N 1 2 330.388 0.061 20 30 ECEDLO C[N@@H+](CCNC(=O)c1ccc2c(c1)CCOC2)CC(=O)NCC#N ZINC001266297594 835647827 /nfs/dbraw/zinc/64/78/27/835647827.db2.gz PEDMIXWUKLOQJL-UHFFFAOYSA-N 1 2 330.388 0.061 20 30 ECEDLO N#CCN1CC[NH+](CCNC(=O)Cc2c[nH]c3ccccc23)CC1 ZINC001266297794 835648483 /nfs/dbraw/zinc/64/84/83/835648483.db2.gz VEGDWBOZFPHLHM-UHFFFAOYSA-N 1 2 325.416 0.968 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cc(-c2ccco2)on1 ZINC001266304467 835667609 /nfs/dbraw/zinc/66/76/09/835667609.db2.gz XCXCJJSESRQAAN-UHFFFAOYSA-N 1 2 332.360 0.898 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cc(-c2ccco2)on1 ZINC001266304467 835667614 /nfs/dbraw/zinc/66/76/14/835667614.db2.gz XCXCJJSESRQAAN-UHFFFAOYSA-N 1 2 332.360 0.898 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NCC[N@H+](C)CC(=O)N1CCO[C@@H](C)C1 ZINC001266320191 835691426 /nfs/dbraw/zinc/69/14/26/835691426.db2.gz BMCIJXGSZDYIGU-WMLDXEAASA-N 1 2 325.453 0.884 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NCC[N@@H+](C)CC(=O)N1CCO[C@@H](C)C1 ZINC001266320191 835691433 /nfs/dbraw/zinc/69/14/33/835691433.db2.gz BMCIJXGSZDYIGU-WMLDXEAASA-N 1 2 325.453 0.884 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001266321953 835695742 /nfs/dbraw/zinc/69/57/42/835695742.db2.gz XNDPSFCRASTPFB-KDOFPFPSSA-N 1 2 348.447 0.935 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001266321953 835695744 /nfs/dbraw/zinc/69/57/44/835695744.db2.gz XNDPSFCRASTPFB-KDOFPFPSSA-N 1 2 348.447 0.935 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(COC)o2)C1 ZINC001266327618 835708407 /nfs/dbraw/zinc/70/84/07/835708407.db2.gz IIFMLHSJXOWGBP-CHWSQXEVSA-N 1 2 335.404 0.921 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc(COC)o2)C1 ZINC001266327618 835708412 /nfs/dbraw/zinc/70/84/12/835708412.db2.gz IIFMLHSJXOWGBP-CHWSQXEVSA-N 1 2 335.404 0.921 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2csc(C(C)C)n2)C1 ZINC001266346624 835736408 /nfs/dbraw/zinc/73/64/08/835736408.db2.gz DYFZKSREOHVEOT-LBPRGKRZSA-N 1 2 334.445 0.820 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2csc(C(C)C)n2)C1 ZINC001266346624 835736414 /nfs/dbraw/zinc/73/64/14/835736414.db2.gz DYFZKSREOHVEOT-LBPRGKRZSA-N 1 2 334.445 0.820 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn3ccc(C)nc23)C1 ZINC001266353526 835755843 /nfs/dbraw/zinc/75/58/43/835755843.db2.gz WZJLHZPPXHGQLA-CYBMUJFWSA-N 1 2 342.403 0.144 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn3ccc(C)nc23)C1 ZINC001266353526 835755847 /nfs/dbraw/zinc/75/58/47/835755847.db2.gz WZJLHZPPXHGQLA-CYBMUJFWSA-N 1 2 342.403 0.144 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc3c[nH]nc3c2)C1 ZINC001266357127 835763094 /nfs/dbraw/zinc/76/30/94/835763094.db2.gz YUDGYPOLAVJSPI-HNNXBMFYSA-N 1 2 339.399 0.045 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccc3c[nH]nc3c2)C1 ZINC001266357127 835763097 /nfs/dbraw/zinc/76/30/97/835763097.db2.gz YUDGYPOLAVJSPI-HNNXBMFYSA-N 1 2 339.399 0.045 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2ccc(OC)cc2)C1 ZINC001266358997 835766847 /nfs/dbraw/zinc/76/68/47/835766847.db2.gz LCOBXQFKPURAPK-INIZCTEOSA-N 1 2 343.427 0.568 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2ccc(OC)cc2)C1 ZINC001266358997 835766849 /nfs/dbraw/zinc/76/68/49/835766849.db2.gz LCOBXQFKPURAPK-INIZCTEOSA-N 1 2 343.427 0.568 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CCC[C@H](C[N@@H+](C)Cc2nncn2C)C1 ZINC001266456053 835859649 /nfs/dbraw/zinc/85/96/49/835859649.db2.gz PUKAJEXPGDBHKN-RHSMWYFYSA-N 1 2 335.452 0.813 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CCC[C@H](C[N@H+](C)Cc2nncn2C)C1 ZINC001266456053 835859658 /nfs/dbraw/zinc/85/96/58/835859658.db2.gz PUKAJEXPGDBHKN-RHSMWYFYSA-N 1 2 335.452 0.813 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccco1 ZINC001266460865 835863608 /nfs/dbraw/zinc/86/36/08/835863608.db2.gz FMMXRSYLFQCMLM-KBXCAEBGSA-N 1 2 349.431 0.804 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCc1ccco1 ZINC001266460865 835863612 /nfs/dbraw/zinc/86/36/12/835863612.db2.gz FMMXRSYLFQCMLM-KBXCAEBGSA-N 1 2 349.431 0.804 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCc1ccco1 ZINC001266460798 835864029 /nfs/dbraw/zinc/86/40/29/835864029.db2.gz DFWRFUSCQONVQO-LSDHHAIUSA-N 1 2 347.415 0.515 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NCc1ccco1 ZINC001266460798 835864034 /nfs/dbraw/zinc/86/40/34/835864034.db2.gz DFWRFUSCQONVQO-LSDHHAIUSA-N 1 2 347.415 0.515 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](F)CC ZINC001266477777 835878606 /nfs/dbraw/zinc/87/86/06/835878606.db2.gz VHPTYOAZSUFFTF-NWDGAFQWSA-N 1 2 328.388 0.327 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](F)CC ZINC001266477777 835878609 /nfs/dbraw/zinc/87/86/09/835878609.db2.gz VHPTYOAZSUFFTF-NWDGAFQWSA-N 1 2 328.388 0.327 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@@H]2C[N@H+](Cc3nnc(C)[nH]3)CC[C@H]21 ZINC001266658877 836094429 /nfs/dbraw/zinc/09/44/29/836094429.db2.gz JMLKWJYAQOZHPI-HZPDHXFCSA-N 1 2 345.447 0.966 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@@H]2C[N@@H+](Cc3nnc(C)[nH]3)CC[C@H]21 ZINC001266658877 836094439 /nfs/dbraw/zinc/09/44/39/836094439.db2.gz JMLKWJYAQOZHPI-HZPDHXFCSA-N 1 2 345.447 0.966 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)c1cnn(C)c1C ZINC001266831430 836356243 /nfs/dbraw/zinc/35/62/43/836356243.db2.gz GBEOJNCRJMCWEF-AWEZNQCLSA-N 1 2 331.420 0.062 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cnn(C)c1C ZINC001266831430 836356251 /nfs/dbraw/zinc/35/62/51/836356251.db2.gz GBEOJNCRJMCWEF-AWEZNQCLSA-N 1 2 331.420 0.062 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccnnc1C ZINC001266844349 836372180 /nfs/dbraw/zinc/37/21/80/836372180.db2.gz JOFMBTHPDNDQOG-CQSZACIVSA-N 1 2 331.420 0.672 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccnnc1C ZINC001266844349 836372189 /nfs/dbraw/zinc/37/21/89/836372189.db2.gz JOFMBTHPDNDQOG-CQSZACIVSA-N 1 2 331.420 0.672 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(OC)ccn1 ZINC001266849788 836380634 /nfs/dbraw/zinc/38/06/34/836380634.db2.gz OCRPNMLYJNTOEK-AWEZNQCLSA-N 1 2 346.431 0.977 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(OC)ccn1 ZINC001266849788 836380646 /nfs/dbraw/zinc/38/06/46/836380646.db2.gz OCRPNMLYJNTOEK-AWEZNQCLSA-N 1 2 346.431 0.977 20 30 ECEDLO C=CCC1(C(=O)NC[C@@H](C)[NH2+]Cc2nc(=O)n(C)[nH]2)CCOCC1 ZINC001266990259 836571975 /nfs/dbraw/zinc/57/19/75/836571975.db2.gz NMFQEQJNQXJJJE-GFCCVEGCSA-N 1 2 337.424 0.076 20 30 ECEDLO C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001267020883 836638755 /nfs/dbraw/zinc/63/87/55/836638755.db2.gz QRDZRNCUSKRIHD-LBPRGKRZSA-N 1 2 330.392 0.228 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCC[N@@H+](C)CC(=O)N[C@H](C)C(=O)N(C)C ZINC001267210434 836997822 /nfs/dbraw/zinc/99/78/22/836997822.db2.gz GZKSQYSRMCKISM-CYBMUJFWSA-N 1 2 340.468 0.230 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCC[N@H+](C)CC(=O)N[C@H](C)C(=O)N(C)C ZINC001267210434 836997828 /nfs/dbraw/zinc/99/78/28/836997828.db2.gz GZKSQYSRMCKISM-CYBMUJFWSA-N 1 2 340.468 0.230 20 30 ECEDLO CCCc1[nH]ccc1C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001267272339 837113768 /nfs/dbraw/zinc/11/37/68/837113768.db2.gz MEFXROCSJCVTRH-ZDUSSCGKSA-N 1 2 331.420 0.801 20 30 ECEDLO CCCc1[nH]ccc1C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001267272339 837113774 /nfs/dbraw/zinc/11/37/74/837113774.db2.gz MEFXROCSJCVTRH-ZDUSSCGKSA-N 1 2 331.420 0.801 20 30 ECEDLO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001267278349 837122305 /nfs/dbraw/zinc/12/23/05/837122305.db2.gz ITACZSQGFLYJDR-GFCCVEGCSA-N 1 2 330.392 0.228 20 30 ECEDLO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001267278349 837122312 /nfs/dbraw/zinc/12/23/12/837122312.db2.gz ITACZSQGFLYJDR-GFCCVEGCSA-N 1 2 330.392 0.228 20 30 ECEDLO C#CCOCCC(=O)NC[C@H]1CC[N@@H+](Cc2nc(C3CC3)nn2C)C1 ZINC001267292586 837144363 /nfs/dbraw/zinc/14/43/63/837144363.db2.gz CRPLJIVOPAHHRP-CQSZACIVSA-N 1 2 345.447 0.671 20 30 ECEDLO C#CCOCCC(=O)NC[C@H]1CC[N@H+](Cc2nc(C3CC3)nn2C)C1 ZINC001267292586 837144374 /nfs/dbraw/zinc/14/43/74/837144374.db2.gz CRPLJIVOPAHHRP-CQSZACIVSA-N 1 2 345.447 0.671 20 30 ECEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)[C@@H]1CCNC1=O ZINC001267316590 837194290 /nfs/dbraw/zinc/19/42/90/837194290.db2.gz VQWYZVAZKWJTOZ-LLVKDONJSA-N 1 2 332.242 0.859 20 30 ECEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)[C@@H]1CCNC1=O ZINC001267316590 837194294 /nfs/dbraw/zinc/19/42/94/837194294.db2.gz VQWYZVAZKWJTOZ-LLVKDONJSA-N 1 2 332.242 0.859 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[N@H+](Cc1cc2n(n1)CCC2)C1CC1 ZINC001267326218 837203668 /nfs/dbraw/zinc/20/36/68/837203668.db2.gz RPCDRIXIJCBDRI-CQSZACIVSA-N 1 2 330.432 0.948 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[N@@H+](Cc1cc2n(n1)CCC2)C1CC1 ZINC001267326218 837203672 /nfs/dbraw/zinc/20/36/72/837203672.db2.gz RPCDRIXIJCBDRI-CQSZACIVSA-N 1 2 330.432 0.948 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)c1cnc2n1CCCCC2 ZINC001267607882 837952322 /nfs/dbraw/zinc/95/23/22/837952322.db2.gz YQRNDTSBIUTNGP-UHFFFAOYSA-N 1 2 344.463 0.823 20 30 ECEDLO CC(C)CN1C[C@@H](C(=O)N(C)CC[NH+]2CCN(CC#N)CC2)CC1=O ZINC001267607868 837952625 /nfs/dbraw/zinc/95/26/25/837952625.db2.gz YALOASJOUDORST-INIZCTEOSA-N 1 2 349.479 0.090 20 30 ECEDLO C#CCN1CC[NH+](CCN(C)C(=O)[C@@H](OCC)[C@H]2CCOC2)CC1 ZINC001267608759 837959676 /nfs/dbraw/zinc/95/96/76/837959676.db2.gz BXTYAVKGTHIPRM-IRXDYDNUSA-N 1 2 337.464 0.137 20 30 ECEDLO C#CCN1CC[NH+](CCN(C)C(=O)c2nncc3ccccc32)CC1 ZINC001267609036 837964536 /nfs/dbraw/zinc/96/45/36/837964536.db2.gz MOPVQOOZYAATLV-UHFFFAOYSA-N 1 2 337.427 0.953 20 30 ECEDLO Cc1cnc(COCC(=O)N(C)CC[NH+]2CCN(CC#N)CC2)o1 ZINC001267609203 837965821 /nfs/dbraw/zinc/96/58/21/837965821.db2.gz SGWSWJDYCRRIEC-UHFFFAOYSA-N 1 2 335.408 0.099 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)c1ccnc2c1ncn2C ZINC001267612266 837980071 /nfs/dbraw/zinc/98/00/71/837980071.db2.gz DBHKARNYWNDROA-UHFFFAOYSA-N 1 2 341.419 0.181 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)c2cnn(C)c2C)C1 ZINC001267621766 838061836 /nfs/dbraw/zinc/06/18/36/838061836.db2.gz YUZZGBRCKOQMDD-KBPBESRZSA-N 1 2 333.436 0.613 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2cnn(C)c2C)C1 ZINC001267621766 838061846 /nfs/dbraw/zinc/06/18/46/838061846.db2.gz YUZZGBRCKOQMDD-KBPBESRZSA-N 1 2 333.436 0.613 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C2(c3cccnc3)CC2)C1 ZINC001267629719 838087334 /nfs/dbraw/zinc/08/73/34/838087334.db2.gz HCWNMRXUOOTJBM-INIZCTEOSA-N 1 2 342.443 0.996 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C2(c3cccnc3)CC2)C1 ZINC001267629719 838087347 /nfs/dbraw/zinc/08/73/47/838087347.db2.gz HCWNMRXUOOTJBM-INIZCTEOSA-N 1 2 342.443 0.996 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)c2cccnn2)C1 ZINC001267631724 838092124 /nfs/dbraw/zinc/09/21/24/838092124.db2.gz CQJNTLCTBSBZPO-HNNXBMFYSA-N 1 2 343.431 0.871 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](NC(=O)c2cccnn2)C1 ZINC001267631724 838092133 /nfs/dbraw/zinc/09/21/33/838092133.db2.gz CQJNTLCTBSBZPO-HNNXBMFYSA-N 1 2 343.431 0.871 20 30 ECEDLO C=CCOCC[NH+]1CC(NC(=O)Cn2c(C)c(C)sc2=O)C1 ZINC001267672432 838209881 /nfs/dbraw/zinc/20/98/81/838209881.db2.gz ZSJKBGUBRJXILF-UHFFFAOYSA-N 1 2 325.434 0.530 20 30 ECEDLO C=CCN(CC=C)C(=O)C[NH+]1CC(CNC(=O)c2snnc2C)C1 ZINC001267674867 838221029 /nfs/dbraw/zinc/22/10/29/838221029.db2.gz JAHNYPONXBMNFH-UHFFFAOYSA-N 1 2 349.460 0.709 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2scnc2CC)C1 ZINC001267683700 838245479 /nfs/dbraw/zinc/24/54/79/838245479.db2.gz UZEHDMZXBGVOHH-NSHDSACASA-N 1 2 334.445 0.505 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2ccc(COC)o2)C1 ZINC001267686672 838249797 /nfs/dbraw/zinc/24/97/97/838249797.db2.gz SJECTTYIOCVRLZ-GFCCVEGCSA-N 1 2 335.404 0.778 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC(CNC(=O)CCCC#CC)C1 ZINC001267689159 838255215 /nfs/dbraw/zinc/25/52/15/838255215.db2.gz DTWOSTNDHNDHRE-CQSZACIVSA-N 1 2 348.447 0.628 20 30 ECEDLO C[C@]1(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)CCNC1=O ZINC001267693028 838272513 /nfs/dbraw/zinc/27/25/13/838272513.db2.gz RBQVFGABDJRJKY-SFHVURJKSA-N 1 2 344.390 0.772 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001267701376 838294529 /nfs/dbraw/zinc/29/45/29/838294529.db2.gz QGTPRQLYJAPKFX-DLBZAZTESA-N 1 2 343.402 0.727 20 30 ECEDLO C#CCOCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(OC)nc1 ZINC001267706712 838312481 /nfs/dbraw/zinc/31/24/81/838312481.db2.gz PVWPCOXLEKSMJV-HOTGVXAUSA-N 1 2 329.400 0.915 20 30 ECEDLO C#CCOCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(OC)nc1 ZINC001267706712 838312485 /nfs/dbraw/zinc/31/24/85/838312485.db2.gz PVWPCOXLEKSMJV-HOTGVXAUSA-N 1 2 329.400 0.915 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCc2nn(C)cc21 ZINC001267712924 838333949 /nfs/dbraw/zinc/33/39/49/838333949.db2.gz YLGSMSIXVRAGKM-JYJNAYRXSA-N 1 2 342.443 0.775 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCc2nn(C)cc21 ZINC001267712924 838333953 /nfs/dbraw/zinc/33/39/53/838333953.db2.gz YLGSMSIXVRAGKM-JYJNAYRXSA-N 1 2 342.443 0.775 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCn1cccn1 ZINC001267717434 838364766 /nfs/dbraw/zinc/36/47/66/838364766.db2.gz VQIRFOISVHOUBU-PMPSAXMXSA-N 1 2 345.447 0.639 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCn1cccn1 ZINC001267717434 838364773 /nfs/dbraw/zinc/36/47/73/838364773.db2.gz VQIRFOISVHOUBU-PMPSAXMXSA-N 1 2 345.447 0.639 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](CC)OC2CCCC2)C1 ZINC001267731198 838418425 /nfs/dbraw/zinc/41/84/25/838418425.db2.gz SQXLJINPPHVTDJ-HOCLYGCPSA-N 1 2 335.448 0.664 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](CC)OC2CCCC2)C1 ZINC001267731198 838418429 /nfs/dbraw/zinc/41/84/29/838418429.db2.gz SQXLJINPPHVTDJ-HOCLYGCPSA-N 1 2 335.448 0.664 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cccc3c2ccn3C)C1 ZINC001267731538 838419387 /nfs/dbraw/zinc/41/93/87/838419387.db2.gz HAYSDFRNQWPTHV-AWEZNQCLSA-N 1 2 338.411 0.732 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccc3c2ccn3C)C1 ZINC001267731538 838419391 /nfs/dbraw/zinc/41/93/91/838419391.db2.gz HAYSDFRNQWPTHV-AWEZNQCLSA-N 1 2 338.411 0.732 20 30 ECEDLO COc1cccc([C@H](C)C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C2)c1 ZINC001267735117 838429755 /nfs/dbraw/zinc/42/97/55/838429755.db2.gz KPUOVJZNHMTOOW-ZFWWWQNUSA-N 1 2 344.415 0.629 20 30 ECEDLO COc1cccc([C@H](C)C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)c1 ZINC001267735117 838429758 /nfs/dbraw/zinc/42/97/58/838429758.db2.gz KPUOVJZNHMTOOW-ZFWWWQNUSA-N 1 2 344.415 0.629 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(=O)NCC=C)C1 ZINC001267740509 838440735 /nfs/dbraw/zinc/44/07/35/838440735.db2.gz JFJHXFFTTVVUHM-CQSZACIVSA-N 1 2 334.420 0.382 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(=O)NCC=C)C1 ZINC001267740509 838440740 /nfs/dbraw/zinc/44/07/40/838440740.db2.gz JFJHXFFTTVVUHM-CQSZACIVSA-N 1 2 334.420 0.382 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C[C@H](C)CS(C)(=O)=O)C2)nc1 ZINC001267752329 838473999 /nfs/dbraw/zinc/47/39/99/838473999.db2.gz XBOAYJWSSVNYLX-DZGCQCFKSA-N 1 2 349.456 0.548 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C[C@H](C)CS(C)(=O)=O)C2)nc1 ZINC001267752329 838474001 /nfs/dbraw/zinc/47/40/01/838474001.db2.gz XBOAYJWSSVNYLX-DZGCQCFKSA-N 1 2 349.456 0.548 20 30 ECEDLO C=CCCOCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC001267753548 838476097 /nfs/dbraw/zinc/47/60/97/838476097.db2.gz GCKNOYUIJZLKKD-HUUCEWRRSA-N 1 2 339.436 0.017 20 30 ECEDLO C=CCCOCC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC001267753548 838476102 /nfs/dbraw/zinc/47/61/02/838476102.db2.gz GCKNOYUIJZLKKD-HUUCEWRRSA-N 1 2 339.436 0.017 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccon2)C1 ZINC001267781670 838556246 /nfs/dbraw/zinc/55/62/46/838556246.db2.gz LIXGVJCXVHEERY-GFCCVEGCSA-N 1 2 349.391 0.223 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccon2)C1 ZINC001267781670 838556253 /nfs/dbraw/zinc/55/62/53/838556253.db2.gz LIXGVJCXVHEERY-GFCCVEGCSA-N 1 2 349.391 0.223 20 30 ECEDLO CCN(C(=O)C#CC1CC1)[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC001267784983 838561186 /nfs/dbraw/zinc/56/11/86/838561186.db2.gz SRMMPCXWITUZRW-IRXDYDNUSA-N 1 2 347.459 0.618 20 30 ECEDLO CCN(C(=O)C#CC1CC1)[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC001267784983 838561192 /nfs/dbraw/zinc/56/11/92/838561192.db2.gz SRMMPCXWITUZRW-IRXDYDNUSA-N 1 2 347.459 0.618 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)c2nccs2)C1 ZINC001267791752 838572107 /nfs/dbraw/zinc/57/21/07/838572107.db2.gz WRJSMPVRNOXRNF-QWHCGFSZSA-N 1 2 334.445 0.817 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)c2nccs2)C1 ZINC001267791752 838572112 /nfs/dbraw/zinc/57/21/12/838572112.db2.gz WRJSMPVRNOXRNF-QWHCGFSZSA-N 1 2 334.445 0.817 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC001267924859 838801200 /nfs/dbraw/zinc/80/12/00/838801200.db2.gz LCASHOCZXSECJI-HZPDHXFCSA-N 1 2 335.448 0.618 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC001267924859 838801212 /nfs/dbraw/zinc/80/12/12/838801212.db2.gz LCASHOCZXSECJI-HZPDHXFCSA-N 1 2 335.448 0.618 20 30 ECEDLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000981006018 839314506 /nfs/dbraw/zinc/31/45/06/839314506.db2.gz AQDFKPMSEXZSRF-LBPRGKRZSA-N 1 2 329.404 0.701 20 30 ECEDLO C[C@@H](C(=O)NC1CC1)[N@H+]1CCCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000981006018 839314513 /nfs/dbraw/zinc/31/45/13/839314513.db2.gz AQDFKPMSEXZSRF-LBPRGKRZSA-N 1 2 329.404 0.701 20 30 ECEDLO C[C@@](O)(CNC(=O)c1ncc(C#N)cc1Cl)C[NH+]1CCOCC1 ZINC000428026329 210238320 /nfs/dbraw/zinc/23/83/20/210238320.db2.gz ZHFCXRQGOJCLAP-OAHLLOKOSA-N 1 2 338.795 0.420 20 30 ECEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000331051006 291133375 /nfs/dbraw/zinc/13/33/75/291133375.db2.gz IJSIHCFHGCKSBH-WDEREUQCSA-N 1 2 331.438 0.794 20 30 ECEDLO COC(=O)C[C@@H]1CSCC[N@H+]1[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000331051006 291133378 /nfs/dbraw/zinc/13/33/78/291133378.db2.gz IJSIHCFHGCKSBH-WDEREUQCSA-N 1 2 331.438 0.794 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCC#Cc2ccccc2)CC1 ZINC000267517967 201223336 /nfs/dbraw/zinc/22/33/36/201223336.db2.gz OBHJZXIESQSPNT-UHFFFAOYSA-N 1 2 328.416 0.629 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cnn([C@H]3CCOC3)c2)CC1 ZINC000269869835 201233824 /nfs/dbraw/zinc/23/38/24/201233824.db2.gz MLLMTISCEPLYMP-AWEZNQCLSA-N 1 2 338.433 0.174 20 30 ECEDLO C=CCNC(=O)CN1CC[N@@H+](CC(=O)NCC=C)C[C@H]1[C@H](C)CC ZINC000269984333 201234665 /nfs/dbraw/zinc/23/46/65/201234665.db2.gz ZYSNDODBKLJDEU-CVEARBPZSA-N 1 2 336.480 0.623 20 30 ECEDLO C=CCNC(=O)CN1CC[N@H+](CC(=O)NCC=C)C[C@H]1[C@H](C)CC ZINC000269984333 201234669 /nfs/dbraw/zinc/23/46/69/201234669.db2.gz ZYSNDODBKLJDEU-CVEARBPZSA-N 1 2 336.480 0.623 20 30 ECEDLO C[C@H](C(=O)N1CCN(c2ccccc2C#N)CC1)[NH+]1CCN(C)CC1 ZINC000101671728 204017644 /nfs/dbraw/zinc/01/76/44/204017644.db2.gz RWSLSUXSKLSARF-MRXNPFEDSA-N 1 2 341.459 0.843 20 30 ECEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000438517904 210746828 /nfs/dbraw/zinc/74/68/28/210746828.db2.gz VPJVBEOASQXQSC-RYUDHWBXSA-N 1 2 345.407 0.093 20 30 ECEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000438517904 210746830 /nfs/dbraw/zinc/74/68/30/210746830.db2.gz VPJVBEOASQXQSC-RYUDHWBXSA-N 1 2 345.407 0.093 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000175466303 207129689 /nfs/dbraw/zinc/12/96/89/207129689.db2.gz FXXYZCJZWRLZQA-UHFFFAOYSA-N 1 2 336.417 0.439 20 30 ECEDLO C#CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)NC(C)C)CC2)cc1 ZINC000122021038 254495867 /nfs/dbraw/zinc/49/58/67/254495867.db2.gz CCMMOHCYZNSLSQ-UHFFFAOYSA-N 1 2 343.427 0.867 20 30 ECEDLO C[C@@H](CNC(=O)N(C)Cc1cnc(N(C)C)nc1)[NH+]1CCOCC1 ZINC000329498301 254609558 /nfs/dbraw/zinc/60/95/58/254609558.db2.gz JROHDTBDKLNTBW-ZDUSSCGKSA-N 1 2 336.440 0.609 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)c(C)n2)CC1 ZINC000488053173 254845386 /nfs/dbraw/zinc/84/53/86/254845386.db2.gz SZWDIRTXKYCAJJ-HNNXBMFYSA-N 1 2 345.447 0.925 20 30 ECEDLO COC(=O)NCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000495875523 255052395 /nfs/dbraw/zinc/05/23/95/255052395.db2.gz LSNVOVURMZDUQP-UHFFFAOYSA-N 1 2 345.403 0.741 20 30 ECEDLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000117106647 221030834 /nfs/dbraw/zinc/03/08/34/221030834.db2.gz JUICLUYYKDFKMN-UHFFFAOYSA-N 1 2 341.408 0.775 20 30 ECEDLO CN(CC[NH+]1CCOCC1)C(=O)NCCOc1ccc(C#N)cc1 ZINC000074736747 296617912 /nfs/dbraw/zinc/61/79/12/296617912.db2.gz GYPIDGBZHKFQAT-UHFFFAOYSA-N 1 2 332.404 0.911 20 30 ECEDLO CS(=O)(=O)CCCNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000330802199 286593033 /nfs/dbraw/zinc/59/30/33/286593033.db2.gz ARVVPNRMUNIXLK-UHFFFAOYSA-N 1 2 347.481 0.379 20 30 ECEDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000246633052 165140603 /nfs/dbraw/zinc/14/06/03/165140603.db2.gz ORTKZMJJQNPYCZ-GXTWGEPZSA-N 1 2 326.418 0.663 20 30 ECEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000246633052 165140606 /nfs/dbraw/zinc/14/06/06/165140606.db2.gz ORTKZMJJQNPYCZ-GXTWGEPZSA-N 1 2 326.418 0.663 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC[N@@H+]1CCO ZINC000188718515 263162139 /nfs/dbraw/zinc/16/21/39/263162139.db2.gz HLHWZCULARIQOV-JTQLQIEISA-N 1 2 345.371 0.524 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC[N@H+]1CCO ZINC000188718515 263162140 /nfs/dbraw/zinc/16/21/40/263162140.db2.gz HLHWZCULARIQOV-JTQLQIEISA-N 1 2 345.371 0.524 20 30 ECEDLO C[C@H](O)C[NH+]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000189371526 263163255 /nfs/dbraw/zinc/16/32/55/263163255.db2.gz JBHQOWGWJJQKGQ-AWEZNQCLSA-N 1 2 337.445 0.330 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCC(=O)N3)CC2)cc1 ZINC000270227905 263229021 /nfs/dbraw/zinc/22/90/21/263229021.db2.gz NPVFBOXVZOXIEI-MRXNPFEDSA-N 1 2 326.400 0.871 20 30 ECEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000270790423 263272291 /nfs/dbraw/zinc/27/22/91/263272291.db2.gz AQHIJYAPLMMNRE-ZDUSSCGKSA-N 1 2 330.388 0.264 20 30 ECEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000270790423 263272294 /nfs/dbraw/zinc/27/22/94/263272294.db2.gz AQHIJYAPLMMNRE-ZDUSSCGKSA-N 1 2 330.388 0.264 20 30 ECEDLO COc1cc(C[NH+]2CCN(CC(=O)NC3CC3)CC2)ccc1C#N ZINC000282404488 264041140 /nfs/dbraw/zinc/04/11/40/264041140.db2.gz RUVLBOOMPORRKE-UHFFFAOYSA-N 1 2 328.416 0.963 20 30 ECEDLO COc1cc(CN2CC[NH+](CC(=O)NC3CC3)CC2)ccc1C#N ZINC000282404488 264041142 /nfs/dbraw/zinc/04/11/42/264041142.db2.gz RUVLBOOMPORRKE-UHFFFAOYSA-N 1 2 328.416 0.963 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284530336 264224061 /nfs/dbraw/zinc/22/40/61/264224061.db2.gz OZVBDYAYHKIHKB-LSDHHAIUSA-N 1 2 345.399 0.877 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284530336 264224063 /nfs/dbraw/zinc/22/40/63/264224063.db2.gz OZVBDYAYHKIHKB-LSDHHAIUSA-N 1 2 345.399 0.877 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC000285340690 264303845 /nfs/dbraw/zinc/30/38/45/264303845.db2.gz SSBLREMKPWTDTC-LSDHHAIUSA-N 1 2 346.362 0.567 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC000285340690 264303847 /nfs/dbraw/zinc/30/38/47/264303847.db2.gz SSBLREMKPWTDTC-LSDHHAIUSA-N 1 2 346.362 0.567 20 30 ECEDLO N#Cc1cccnc1N1CC[NH+]([C@H]2CC(=O)N(C3CC3)C2=O)CC1 ZINC000342140397 270006226 /nfs/dbraw/zinc/00/62/26/270006226.db2.gz QVBGKHUDQFKUER-AWEZNQCLSA-N 1 2 325.372 0.365 20 30 ECEDLO COc1nccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)n1 ZINC000294744006 265020203 /nfs/dbraw/zinc/02/02/03/265020203.db2.gz HRIIJERRGJJBGK-GFCCVEGCSA-N 1 2 325.376 0.858 20 30 ECEDLO COc1nccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)n1 ZINC000294744006 265020208 /nfs/dbraw/zinc/02/02/08/265020208.db2.gz HRIIJERRGJJBGK-GFCCVEGCSA-N 1 2 325.376 0.858 20 30 ECEDLO CC(C)[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1nncn1C ZINC000343937863 265904661 /nfs/dbraw/zinc/90/46/61/265904661.db2.gz KRCJAZJBJRQMDZ-AWEZNQCLSA-N 1 2 348.432 0.842 20 30 ECEDLO CCCNC(=O)NC(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000299036444 266056804 /nfs/dbraw/zinc/05/68/04/266056804.db2.gz IWSYSCPFQWOMED-UHFFFAOYSA-N 1 2 330.392 0.311 20 30 ECEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cc(C#N)ccn2)CC1 ZINC000286997994 266111149 /nfs/dbraw/zinc/11/11/49/266111149.db2.gz FGBCSRIISGXMHO-UHFFFAOYSA-N 1 2 343.431 0.970 20 30 ECEDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cc(C#N)ccn2)CC1 ZINC000286997994 266111151 /nfs/dbraw/zinc/11/11/51/266111151.db2.gz FGBCSRIISGXMHO-UHFFFAOYSA-N 1 2 343.431 0.970 20 30 ECEDLO CC[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)CCO1 ZINC000354367876 266378819 /nfs/dbraw/zinc/37/88/19/266378819.db2.gz WCTNRRTUTKUFFX-CQSZACIVSA-N 1 2 348.378 0.863 20 30 ECEDLO CC[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)CCO1 ZINC000354367876 266378826 /nfs/dbraw/zinc/37/88/26/266378826.db2.gz WCTNRRTUTKUFFX-CQSZACIVSA-N 1 2 348.378 0.863 20 30 ECEDLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000331219656 266399913 /nfs/dbraw/zinc/39/99/13/266399913.db2.gz AZUARKGSFLARMF-LLVKDONJSA-N 1 2 329.447 0.697 20 30 ECEDLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cccnc1C#N ZINC000276956324 267048707 /nfs/dbraw/zinc/04/87/07/267048707.db2.gz CHQRLSFDWFWXMV-GFCCVEGCSA-N 1 2 338.433 0.419 20 30 ECEDLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cccnc1C#N ZINC000276956324 267048712 /nfs/dbraw/zinc/04/87/12/267048712.db2.gz CHQRLSFDWFWXMV-GFCCVEGCSA-N 1 2 338.433 0.419 20 30 ECEDLO C[C@@H]1C[N@H+](CCN2CCN(Cc3ccc(C#N)cc3)C(=O)C2)CCO1 ZINC000374286543 267051364 /nfs/dbraw/zinc/05/13/64/267051364.db2.gz GMCNGOCUNCYFNU-MRXNPFEDSA-N 1 2 342.443 0.923 20 30 ECEDLO C[C@@H]1C[N@@H+](CCN2CCN(Cc3ccc(C#N)cc3)C(=O)C2)CCO1 ZINC000374286543 267051367 /nfs/dbraw/zinc/05/13/67/267051367.db2.gz GMCNGOCUNCYFNU-MRXNPFEDSA-N 1 2 342.443 0.923 20 30 ECEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000357070720 267068153 /nfs/dbraw/zinc/06/81/53/267068153.db2.gz AMSQTHIYIRFINY-LLVKDONJSA-N 1 2 334.351 0.473 20 30 ECEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000357070720 267068155 /nfs/dbraw/zinc/06/81/55/267068155.db2.gz AMSQTHIYIRFINY-LLVKDONJSA-N 1 2 334.351 0.473 20 30 ECEDLO C[C@@H]1OCC[C@H]1[N@H+](CCO)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000361575507 267099864 /nfs/dbraw/zinc/09/98/64/267099864.db2.gz BVCBHADZJOFTTQ-XJKSGUPXSA-N 1 2 338.429 0.804 20 30 ECEDLO C[C@@H]1OCC[C@H]1[N@@H+](CCO)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000361575507 267099867 /nfs/dbraw/zinc/09/98/67/267099867.db2.gz BVCBHADZJOFTTQ-XJKSGUPXSA-N 1 2 338.429 0.804 20 30 ECEDLO C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000340508963 267105862 /nfs/dbraw/zinc/10/58/62/267105862.db2.gz BWIIGBHZBFYMFM-OCCSQVGLSA-N 1 2 343.387 0.213 20 30 ECEDLO C[C@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000360400307 267123141 /nfs/dbraw/zinc/12/31/41/267123141.db2.gz OSBGKIPRDPUIJU-YOEHRIQHSA-N 1 2 331.416 0.813 20 30 ECEDLO C[C@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)[NH+]1CCOCC1 ZINC000354902700 267127650 /nfs/dbraw/zinc/12/76/50/267127650.db2.gz PKNCAEVVIVYYTO-CQSZACIVSA-N 1 2 329.404 0.323 20 30 ECEDLO C[C@H](C(=O)NCC(=O)NCC[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000362786273 267131264 /nfs/dbraw/zinc/13/12/64/267131264.db2.gz TWRUUCSTIWBGRI-AWEZNQCLSA-N 1 2 344.415 0.226 20 30 ECEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000286050570 267137990 /nfs/dbraw/zinc/13/79/90/267137990.db2.gz SJJZNVLYNRLDAJ-DFBGVHRSSA-N 1 2 327.388 0.983 20 30 ECEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000286050570 267137993 /nfs/dbraw/zinc/13/79/93/267137993.db2.gz SJJZNVLYNRLDAJ-DFBGVHRSSA-N 1 2 327.388 0.983 20 30 ECEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000374046521 267139999 /nfs/dbraw/zinc/13/99/99/267139999.db2.gz VSLNTEKJAPHYOB-UGFHNGPFSA-N 1 2 328.372 0.475 20 30 ECEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000374046521 267140002 /nfs/dbraw/zinc/14/00/02/267140002.db2.gz VSLNTEKJAPHYOB-UGFHNGPFSA-N 1 2 328.372 0.475 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1sccc1C#N ZINC000529750926 267332353 /nfs/dbraw/zinc/33/23/53/267332353.db2.gz FYXRSFSSMXELRH-MRXNPFEDSA-N 1 2 335.429 0.965 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1sccc1C#N ZINC000529750926 267332356 /nfs/dbraw/zinc/33/23/56/267332356.db2.gz FYXRSFSSMXELRH-MRXNPFEDSA-N 1 2 335.429 0.965 20 30 ECEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000285133670 267379409 /nfs/dbraw/zinc/37/94/09/267379409.db2.gz IRZPANPQFAFUBT-HOTGVXAUSA-N 1 2 342.399 0.737 20 30 ECEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000285133670 267379412 /nfs/dbraw/zinc/37/94/12/267379412.db2.gz IRZPANPQFAFUBT-HOTGVXAUSA-N 1 2 342.399 0.737 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2cc(C#N)ccn2)CC1 ZINC000339434641 267849723 /nfs/dbraw/zinc/84/97/23/267849723.db2.gz SSSAAWKGUJLPNX-UHFFFAOYSA-N 1 2 348.370 0.592 20 30 ECEDLO Cn1[nH]c([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccccc2C#N)nc1=N ZINC000528485370 268109268 /nfs/dbraw/zinc/10/92/68/268109268.db2.gz BIMBZLCJBTXWDJ-KBPBESRZSA-N 1 2 342.403 0.676 20 30 ECEDLO Cn1[nH]c([C@@H]2CCC[N@H+]2C[C@H](O)COc2ccccc2C#N)nc1=N ZINC000528485370 268109269 /nfs/dbraw/zinc/10/92/69/268109269.db2.gz BIMBZLCJBTXWDJ-KBPBESRZSA-N 1 2 342.403 0.676 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCC[C@H]2CC(N)=O)nc1 ZINC000343993321 268187005 /nfs/dbraw/zinc/18/70/05/268187005.db2.gz VGYQJFLQYRDKDO-ZDUSSCGKSA-N 1 2 336.417 0.457 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCC[C@H]2CC(N)=O)nc1 ZINC000343993321 268187007 /nfs/dbraw/zinc/18/70/07/268187007.db2.gz VGYQJFLQYRDKDO-ZDUSSCGKSA-N 1 2 336.417 0.457 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cn1 ZINC000378600063 268194173 /nfs/dbraw/zinc/19/41/73/268194173.db2.gz PDCVHILCENAWQO-CABCVRRESA-N 1 2 336.417 0.173 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)o1 ZINC000376359368 268203206 /nfs/dbraw/zinc/20/32/06/268203206.db2.gz NFPLPQWRMGVSKQ-YPMHNXCESA-N 1 2 325.390 0.683 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)o1 ZINC000376359368 268203208 /nfs/dbraw/zinc/20/32/08/268203208.db2.gz NFPLPQWRMGVSKQ-YPMHNXCESA-N 1 2 325.390 0.683 20 30 ECEDLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000330709726 437595691 /nfs/dbraw/zinc/59/56/91/437595691.db2.gz WNNDCRUFHFJMCY-LBPRGKRZSA-N 1 2 342.852 0.736 20 30 ECEDLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000330709726 437595695 /nfs/dbraw/zinc/59/56/95/437595695.db2.gz WNNDCRUFHFJMCY-LBPRGKRZSA-N 1 2 342.852 0.736 20 30 ECEDLO CCN1CCN(C(=O)N[C@@H]2CCC(=O)N(C)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329984748 279336358 /nfs/dbraw/zinc/33/63/58/279336358.db2.gz COPCGDBARWHKHL-OLZOCXBDSA-N 1 2 334.424 0.623 20 30 ECEDLO CC(C)N1C[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1=O ZINC000329643235 279539602 /nfs/dbraw/zinc/53/96/02/279539602.db2.gz IDBDSBDJEUNTKK-GJZGRUSLSA-N 1 2 338.452 0.706 20 30 ECEDLO COc1cnc(NC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)s1 ZINC000330738001 437603990 /nfs/dbraw/zinc/60/39/90/437603990.db2.gz YRBKPXMVUGAGQC-VIFPVBQESA-N 1 2 343.409 0.865 20 30 ECEDLO COc1cnc(NC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)s1 ZINC000330738001 437603994 /nfs/dbraw/zinc/60/39/94/437603994.db2.gz YRBKPXMVUGAGQC-VIFPVBQESA-N 1 2 343.409 0.865 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)[C@@H](C)C[N@@H+]1CCO ZINC000416660468 288240068 /nfs/dbraw/zinc/24/00/68/288240068.db2.gz IOVSTQOPQTYVEP-MNOVXSKESA-N 1 2 329.447 0.695 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)[C@@H](C)C[N@H+]1CCO ZINC000416660468 288240072 /nfs/dbraw/zinc/24/00/72/288240072.db2.gz IOVSTQOPQTYVEP-MNOVXSKESA-N 1 2 329.447 0.695 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000352602569 289409214 /nfs/dbraw/zinc/40/92/14/289409214.db2.gz BNLGQXSDSSQLEP-RDBSUJKOSA-N 1 2 330.454 0.260 20 30 ECEDLO C[C@H](CNC(=O)N1CC[S@](=O)[C@H](C)[C@H]1C)C[NH+]1CCOCC1 ZINC000329801136 298244715 /nfs/dbraw/zinc/24/47/15/298244715.db2.gz YQEUVUKVLUNXOT-PRBDWKGHSA-N 1 2 331.482 0.710 20 30 ECEDLO COCCCNC(=O)C[N@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000072981299 436063516 /nfs/dbraw/zinc/06/35/16/436063516.db2.gz IWOKKPDARNCGHC-CZUORRHYSA-N 1 2 326.441 0.514 20 30 ECEDLO COCCCNC(=O)C[N@@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000072981299 436063520 /nfs/dbraw/zinc/06/35/20/436063520.db2.gz IWOKKPDARNCGHC-CZUORRHYSA-N 1 2 326.441 0.514 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)NC[C@@H]3CCCO3)CC2)cc1 ZINC000023258720 436125671 /nfs/dbraw/zinc/12/56/71/436125671.db2.gz KSWQSFOXBCDCTF-SFHVURJKSA-N 1 2 342.443 0.971 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2ncnc3c2cnn3C)CC1 ZINC000023662313 436127093 /nfs/dbraw/zinc/12/70/93/436127093.db2.gz XOLVAVKFBPENRH-LBPRGKRZSA-N 1 2 329.408 0.176 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+]([C@H](C)C(=O)NCc2ccccc2)CC1 ZINC000023264877 436123562 /nfs/dbraw/zinc/12/35/62/436123562.db2.gz DDRCPZNQYYSVBV-MRXNPFEDSA-N 1 2 344.459 0.611 20 30 ECEDLO CN(CCC#N)S(=O)(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000027953453 436184730 /nfs/dbraw/zinc/18/47/30/436184730.db2.gz RBWSHKMYHSPSDU-UHFFFAOYSA-N 1 2 347.444 0.766 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2c(C#N)nnc3ccccc32)CC1 ZINC000077486984 436240719 /nfs/dbraw/zinc/24/07/19/436240719.db2.gz UKZBNRSNURAPSL-UHFFFAOYSA-N 1 2 336.399 0.926 20 30 ECEDLO CN(C)C(=O)C[NH+]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000028729676 436192401 /nfs/dbraw/zinc/19/24/01/436192401.db2.gz RTRCZNHASIRBQI-UHFFFAOYSA-N 1 2 349.479 0.377 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000076950189 436219775 /nfs/dbraw/zinc/21/97/75/436219775.db2.gz PLXRBFUKAPGCMX-KBPBESRZSA-N 1 2 329.466 0.589 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000076950189 436219780 /nfs/dbraw/zinc/21/97/80/436219780.db2.gz PLXRBFUKAPGCMX-KBPBESRZSA-N 1 2 329.466 0.589 20 30 ECEDLO C#CCN1CCN(C(=O)C[NH+]2CCN(c3ccccc3O)CC2)CC1 ZINC000081643746 436352583 /nfs/dbraw/zinc/35/25/83/436352583.db2.gz NPWASMMBBQAYSY-UHFFFAOYSA-N 1 2 342.443 0.292 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(Cl)c2C(N)=O)CC1 ZINC000085279029 436387323 /nfs/dbraw/zinc/38/73/23/436387323.db2.gz KUGPVSGXPGZOIV-UHFFFAOYSA-N 1 2 334.807 0.628 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2nc(C)cs2)CC1 ZINC000047891408 436433348 /nfs/dbraw/zinc/43/33/48/436433348.db2.gz DCTBLIBBGGHKLH-GFCCVEGCSA-N 1 2 337.449 0.974 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000047161774 436411795 /nfs/dbraw/zinc/41/17/95/436411795.db2.gz ICOFKSJMDNJKOV-ZDUSSCGKSA-N 1 2 333.388 0.783 20 30 ECEDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000092842670 436477021 /nfs/dbraw/zinc/47/70/21/436477021.db2.gz JKSNADXQMGIRGZ-QWHCGFSZSA-N 1 2 330.454 0.008 20 30 ECEDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000092842670 436477023 /nfs/dbraw/zinc/47/70/23/436477023.db2.gz JKSNADXQMGIRGZ-QWHCGFSZSA-N 1 2 330.454 0.008 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](S(=O)(=O)NCC)C1 ZINC000092843597 436477492 /nfs/dbraw/zinc/47/74/92/436477492.db2.gz RAGWOIXWXSARRX-UONOGXRCSA-N 1 2 329.466 0.589 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H](S(=O)(=O)NCC)C1 ZINC000092843597 436477496 /nfs/dbraw/zinc/47/74/96/436477496.db2.gz RAGWOIXWXSARRX-UONOGXRCSA-N 1 2 329.466 0.589 20 30 ECEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCNC(=O)[C@@H]2C)c(OC)c1 ZINC000104693419 436560382 /nfs/dbraw/zinc/56/03/82/436560382.db2.gz SDHVLOIMBXUSGK-ZFWWWQNUSA-N 1 2 334.416 0.984 20 30 ECEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCNC(=O)[C@@H]2C)c(OC)c1 ZINC000104693419 436560384 /nfs/dbraw/zinc/56/03/84/436560384.db2.gz SDHVLOIMBXUSGK-ZFWWWQNUSA-N 1 2 334.416 0.984 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2nc(C)nc3c2cnn3C)CC1 ZINC000105882313 436585194 /nfs/dbraw/zinc/58/51/94/436585194.db2.gz BKWSPRXSDKBAGH-LBPRGKRZSA-N 1 2 343.435 0.484 20 30 ECEDLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2OC)CC1 ZINC000546002266 302242759 /nfs/dbraw/zinc/24/27/59/302242759.db2.gz VYLNHWDPDDVSSG-UHFFFAOYSA-N 1 2 346.387 0.296 20 30 ECEDLO COC(=O)C1(O)CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000271377681 436684266 /nfs/dbraw/zinc/68/42/66/436684266.db2.gz JUUKJOMCWQWDLK-UHFFFAOYSA-N 1 2 331.372 0.174 20 30 ECEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CNc2ccc(C#N)cc2)CC1 ZINC000068441885 436744089 /nfs/dbraw/zinc/74/40/89/436744089.db2.gz CYYDEHLWWACOQH-UHFFFAOYSA-N 1 2 343.431 0.641 20 30 ECEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)CNc2ccc(C#N)cc2)CC1 ZINC000068441885 436744092 /nfs/dbraw/zinc/74/40/92/436744092.db2.gz CYYDEHLWWACOQH-UHFFFAOYSA-N 1 2 343.431 0.641 20 30 ECEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCCN(C(N)=O)CC3)C2=O)cc1 ZINC000153599675 436760011 /nfs/dbraw/zinc/76/00/11/436760011.db2.gz RRODEKILLXNZQJ-HNNXBMFYSA-N 1 2 327.388 0.750 20 30 ECEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCCN(C(N)=O)CC3)C2=O)cc1 ZINC000153599675 436760013 /nfs/dbraw/zinc/76/00/13/436760013.db2.gz RRODEKILLXNZQJ-HNNXBMFYSA-N 1 2 327.388 0.750 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)NC(CCC)(CCC)C2=O)CC1 ZINC000128439458 436815308 /nfs/dbraw/zinc/81/53/08/436815308.db2.gz GRHQEDLZVKRJFR-UHFFFAOYSA-N 1 2 348.447 0.655 20 30 ECEDLO C=CCn1c(=O)c2ccc(C(=O)N[C@H]3CC[NH2+]C3)cc2[nH]c1=S ZINC000126986919 436796411 /nfs/dbraw/zinc/79/64/11/436796411.db2.gz KWQAIOYNOMYQKP-NSHDSACASA-N 1 2 330.413 0.963 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)CC1 ZINC000158117382 436838055 /nfs/dbraw/zinc/83/80/55/436838055.db2.gz CTHBZZINUKFJNB-GVDBMIGSSA-N 1 2 335.448 0.032 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)CC1 ZINC000158117382 436838057 /nfs/dbraw/zinc/83/80/57/436838057.db2.gz CTHBZZINUKFJNB-GVDBMIGSSA-N 1 2 335.448 0.032 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000279912873 436850257 /nfs/dbraw/zinc/85/02/57/436850257.db2.gz FBAJGNJUFMSGFW-WMLDXEAASA-N 1 2 332.452 0.763 20 30 ECEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000134331128 436896848 /nfs/dbraw/zinc/89/68/48/436896848.db2.gz OXYSVCSIYVANNC-ZFWWWQNUSA-N 1 2 342.465 0.197 20 30 ECEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000134331128 436896853 /nfs/dbraw/zinc/89/68/53/436896853.db2.gz OXYSVCSIYVANNC-ZFWWWQNUSA-N 1 2 342.465 0.197 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H]2CCC(=O)[C@H]2C)CC1 ZINC000280469473 436897747 /nfs/dbraw/zinc/89/77/47/436897747.db2.gz IBBHINSKOOGOLC-LSDHHAIUSA-N 1 2 333.432 0.275 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2CCC(=O)[C@H]2C)CC1 ZINC000280469473 436897749 /nfs/dbraw/zinc/89/77/49/436897749.db2.gz IBBHINSKOOGOLC-LSDHHAIUSA-N 1 2 333.432 0.275 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000171393941 436978379 /nfs/dbraw/zinc/97/83/79/436978379.db2.gz HUDVFXCWQCMPFH-HNNXBMFYSA-N 1 2 334.464 0.191 20 30 ECEDLO N#CC1(CS(=O)(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000165750670 436938726 /nfs/dbraw/zinc/93/87/26/436938726.db2.gz PRAJIGINRZAUOK-CQSZACIVSA-N 1 2 327.450 0.807 20 30 ECEDLO CC1(C)C[N@H+](CCNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)CCO1 ZINC000170842162 436954669 /nfs/dbraw/zinc/95/46/69/436954669.db2.gz RBIXHTWUWODCKG-UHFFFAOYSA-N 1 2 348.378 0.863 20 30 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/nfs/dbraw/zinc/10/40/75/437104075.db2.gz SGRHGKSDZKWEJL-UHFFFAOYSA-N 1 2 338.411 0.650 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000265055169 437104081 /nfs/dbraw/zinc/10/40/81/437104081.db2.gz SGRHGKSDZKWEJL-UHFFFAOYSA-N 1 2 338.411 0.650 20 30 ECEDLO N#Cc1ncn(CCNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000286595953 437106138 /nfs/dbraw/zinc/10/61/38/437106138.db2.gz DVVWLLGTDFZCEF-GFCCVEGCSA-N 1 2 326.364 0.123 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cc(CCO)c(C(F)(F)F)n2)CC1 ZINC000305809342 437164822 /nfs/dbraw/zinc/16/48/22/437164822.db2.gz HHKHNEGQNNVDSL-UHFFFAOYSA-N 1 2 344.337 0.214 20 30 ECEDLO Cc1onc(CC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)c1C#N ZINC000332176732 437210019 /nfs/dbraw/zinc/21/00/19/437210019.db2.gz ULEAMJFNXWZWCV-UHFFFAOYSA-N 1 2 326.360 0.844 20 30 ECEDLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2C)CC1 ZINC000178513678 437219017 /nfs/dbraw/zinc/21/90/17/437219017.db2.gz SVBYXNKVEYJBNB-UHFFFAOYSA-N 1 2 344.415 0.986 20 30 ECEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCO[C@H](C#N)C1)CC2 ZINC000332644192 437239337 /nfs/dbraw/zinc/23/93/37/437239337.db2.gz WNXTYVSUXDYKLG-OAHLLOKOSA-N 1 2 345.399 0.813 20 30 ECEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCO[C@H](C#N)C1)CC2 ZINC000332644192 437239339 /nfs/dbraw/zinc/23/93/39/437239339.db2.gz WNXTYVSUXDYKLG-OAHLLOKOSA-N 1 2 345.399 0.813 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCn3cc[nH+]c3C2)CC1 ZINC000332700989 437243804 /nfs/dbraw/zinc/24/38/04/437243804.db2.gz SLYAKZZSRXIJIF-OAHLLOKOSA-N 1 2 330.436 0.391 20 30 ECEDLO O=C(N[C@H]1CCS(=O)(=O)C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000328652679 437247331 /nfs/dbraw/zinc/24/73/31/437247331.db2.gz BWDMRTGGYXONDD-KBPBESRZSA-N 1 2 345.465 0.132 20 30 ECEDLO Cc1ccn2cc(CNS(=O)(=O)N3CCO[C@@H](C#N)C3)[nH+]c2c1 ZINC000336924027 437312775 /nfs/dbraw/zinc/31/27/75/437312775.db2.gz VESWNJBAVLNPTL-ZDUSSCGKSA-N 1 2 335.389 0.202 20 30 ECEDLO C[C@@H](C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1)n1cnc(C#N)n1 ZINC000336954105 437319065 /nfs/dbraw/zinc/31/90/65/437319065.db2.gz SXTJTWALUJIAKK-ZDUSSCGKSA-N 1 2 340.387 0.761 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)CC2(CC#N)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000333456283 437270797 /nfs/dbraw/zinc/27/07/97/437270797.db2.gz STXQIYGYIPLUJQ-KBPBESRZSA-N 1 2 327.450 0.663 20 30 ECEDLO Cc1nc([C@@H]2CN(C(=O)N[C@H](C)C[NH+]3CCOCC3)CCO2)no1 ZINC000329267566 437345200 /nfs/dbraw/zinc/34/52/00/437345200.db2.gz DHCKUANHFRZTFW-YPMHNXCESA-N 1 2 339.396 0.386 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cc(-n4cnnn4)ccc3F)C[C@@H]21 ZINC000329367792 437356814 /nfs/dbraw/zinc/35/68/14/437356814.db2.gz JAMDMMCETTYHGK-UONOGXRCSA-N 1 2 347.354 0.362 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cc(-n4cnnn4)ccc3F)C[C@@H]21 ZINC000329367792 437356818 /nfs/dbraw/zinc/35/68/18/437356818.db2.gz JAMDMMCETTYHGK-UONOGXRCSA-N 1 2 347.354 0.362 20 30 ECEDLO CC1(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCOCC1 ZINC000329405836 437364287 /nfs/dbraw/zinc/36/42/87/437364287.db2.gz ATZYPTCCGFBDSA-UHFFFAOYSA-N 1 2 337.424 1.110 20 30 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ZINC000330080083 437451573 /nfs/dbraw/zinc/45/15/73/437451573.db2.gz JCWHTHWMNDVSOT-ZIAGYGMSSA-N 1 2 325.457 0.089 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCC[C@@]2(C)C(N)=O)CC1 ZINC000185942241 437457511 /nfs/dbraw/zinc/45/75/11/437457511.db2.gz ZRHJTZJGGDYDAE-YJBOKZPZSA-N 1 2 349.479 0.409 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCCC[C@@]2(C)C(N)=O)CC1 ZINC000185942241 437457516 /nfs/dbraw/zinc/45/75/16/437457516.db2.gz ZRHJTZJGGDYDAE-YJBOKZPZSA-N 1 2 349.479 0.409 20 30 ECEDLO CC[C@H]1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC[N@@H+]1CCOC ZINC000330416458 437505706 /nfs/dbraw/zinc/50/57/06/437505706.db2.gz OLNFNIZCBUMJJN-KBPBESRZSA-N 1 2 332.470 0.508 20 30 ECEDLO CC[C@H]1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC[N@H+]1CCOC ZINC000330416458 437505710 /nfs/dbraw/zinc/50/57/10/437505710.db2.gz OLNFNIZCBUMJJN-KBPBESRZSA-N 1 2 332.470 0.508 20 30 ECEDLO N#CC1(CS(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)CCC1 ZINC000354125665 437536627 /nfs/dbraw/zinc/53/66/27/437536627.db2.gz SJGVIGOSFOLSJQ-AWEZNQCLSA-N 1 2 327.450 0.664 20 30 ECEDLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000190363965 437623958 /nfs/dbraw/zinc/62/39/58/437623958.db2.gz JIACPPISASGSFS-GJZGRUSLSA-N 1 2 342.465 0.802 20 30 ECEDLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000190363965 437623961 /nfs/dbraw/zinc/62/39/61/437623961.db2.gz JIACPPISASGSFS-GJZGRUSLSA-N 1 2 342.465 0.802 20 30 ECEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000354175531 437550229 /nfs/dbraw/zinc/55/02/29/437550229.db2.gz UNICBYAMCZQLKB-NSHDSACASA-N 1 2 334.351 0.473 20 30 ECEDLO C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000354175531 437550236 /nfs/dbraw/zinc/55/02/36/437550236.db2.gz UNICBYAMCZQLKB-NSHDSACASA-N 1 2 334.351 0.473 20 30 ECEDLO COC(=O)[C@H]1CCCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000330903118 437646962 /nfs/dbraw/zinc/64/69/62/437646962.db2.gz YICMGRTXBNWCEQ-ZDUSSCGKSA-N 1 2 327.425 0.896 20 30 ECEDLO Cc1cc(NC(=O)CN2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)no1 ZINC000191201988 437650001 /nfs/dbraw/zinc/65/00/01/437650001.db2.gz ADJPFUXSQIIYFW-UHFFFAOYSA-N 1 2 342.403 0.950 20 30 ECEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)COc2ccccc2C#N)C1 ZINC000354901568 437657655 /nfs/dbraw/zinc/65/76/55/437657655.db2.gz NQGADEXCMVZXCI-AWEZNQCLSA-N 1 2 345.399 0.938 20 30 ECEDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)COc2ccccc2C#N)C1 ZINC000354901568 437657659 /nfs/dbraw/zinc/65/76/59/437657659.db2.gz NQGADEXCMVZXCI-AWEZNQCLSA-N 1 2 345.399 0.938 20 30 ECEDLO C[C@H](CS(C)(=O)=O)NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000330965507 437659764 /nfs/dbraw/zinc/65/97/64/437659764.db2.gz QFAIXDOWNUTSFU-YPMHNXCESA-N 1 2 327.406 0.882 20 30 ECEDLO CN(C)c1nc(N)nc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292118372 437661407 /nfs/dbraw/zinc/66/14/07/437661407.db2.gz HTCDAFAMHVBYRB-LBPRGKRZSA-N 1 2 340.391 0.440 20 30 ECEDLO CN(C)c1nc(N)nc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292118372 437661413 /nfs/dbraw/zinc/66/14/13/437661413.db2.gz HTCDAFAMHVBYRB-LBPRGKRZSA-N 1 2 340.391 0.440 20 30 ECEDLO C[C@H](CS(C)(=O)=O)NC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000331039197 437676576 /nfs/dbraw/zinc/67/65/76/437676576.db2.gz PFAZUFWGCQEVOA-VXGBXAGGSA-N 1 2 343.453 0.056 20 30 ECEDLO CC(C)NC(=O)C[N@@H+]1CCCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000361812781 437689743 /nfs/dbraw/zinc/68/97/43/437689743.db2.gz KVOFJCXSEXGJIU-UHFFFAOYSA-N 1 2 346.391 0.898 20 30 ECEDLO CC(C)NC(=O)C[N@H+]1CCCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000361812781 437689746 /nfs/dbraw/zinc/68/97/46/437689746.db2.gz KVOFJCXSEXGJIU-UHFFFAOYSA-N 1 2 346.391 0.898 20 30 ECEDLO N#CCCC[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000361845366 437693941 /nfs/dbraw/zinc/69/39/41/437693941.db2.gz ZAOKDUZGVZOKSF-UHFFFAOYSA-N 1 2 328.360 0.741 20 30 ECEDLO C=CCN(CCC#N)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000292572468 437704297 /nfs/dbraw/zinc/70/42/97/437704297.db2.gz YAQYRJFDJZDGAA-OAHLLOKOSA-N 1 2 334.420 0.095 20 30 ECEDLO N#C[C@H]1CSCCN1C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000355462150 437710057 /nfs/dbraw/zinc/71/00/57/437710057.db2.gz ZFOITEFAOLYGTA-AWEZNQCLSA-N 1 2 332.429 0.995 20 30 ECEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000331189381 437710418 /nfs/dbraw/zinc/71/04/18/437710418.db2.gz VECXZRHSVWAAMJ-GXTWGEPZSA-N 1 2 330.454 0.054 20 30 ECEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000331189381 437710420 /nfs/dbraw/zinc/71/04/20/437710420.db2.gz VECXZRHSVWAAMJ-GXTWGEPZSA-N 1 2 330.454 0.054 20 30 ECEDLO Cc1noc(C)c1CNC(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000331244364 437725209 /nfs/dbraw/zinc/72/52/09/437725209.db2.gz ONSHBOYWAIJKNA-LBPRGKRZSA-N 1 2 339.396 0.873 20 30 ECEDLO Cc1noc(C)c1CNC(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000331244364 437725211 /nfs/dbraw/zinc/72/52/11/437725211.db2.gz ONSHBOYWAIJKNA-LBPRGKRZSA-N 1 2 339.396 0.873 20 30 ECEDLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1cccc(Cl)c1C#N ZINC000331275153 437732879 /nfs/dbraw/zinc/73/28/79/437732879.db2.gz NNVGSBUINQOHCS-NSHDSACASA-N 1 2 342.852 0.736 20 30 ECEDLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1cccc(Cl)c1C#N ZINC000331275153 437732883 /nfs/dbraw/zinc/73/28/83/437732883.db2.gz NNVGSBUINQOHCS-NSHDSACASA-N 1 2 342.852 0.736 20 30 ECEDLO C[C@@H](C(=O)NCC(=O)NCC[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000362786274 437753831 /nfs/dbraw/zinc/75/38/31/437753831.db2.gz TWRUUCSTIWBGRI-CQSZACIVSA-N 1 2 344.415 0.226 20 30 ECEDLO CCCC(=O)N1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000362833879 437755453 /nfs/dbraw/zinc/75/54/53/437755453.db2.gz NZYMUSRGKGDCEL-UHFFFAOYSA-N 1 2 333.436 0.977 20 30 ECEDLO CCCC(=O)N1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000362833879 437755457 /nfs/dbraw/zinc/75/54/57/437755457.db2.gz NZYMUSRGKGDCEL-UHFFFAOYSA-N 1 2 333.436 0.977 20 30 ECEDLO N#Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)c[nH]1 ZINC000346672005 437819025 /nfs/dbraw/zinc/81/90/25/437819025.db2.gz RBFPIVQQVAUOPE-UHFFFAOYSA-N 1 2 337.383 0.943 20 30 ECEDLO N#CC1(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCCC1 ZINC000363252899 437779514 /nfs/dbraw/zinc/77/95/14/437779514.db2.gz FKZRQHATGDURSI-OAHLLOKOSA-N 1 2 348.447 0.510 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000356614027 437797718 /nfs/dbraw/zinc/79/77/18/437797718.db2.gz SLHPGVXKIWAWLD-MRXNPFEDSA-N 1 2 329.448 0.865 20 30 ECEDLO N#CC1(NC(=O)C[N@@H+]2CCCN(C(=O)c3ccco3)CC2)CCC1 ZINC000363894827 437808639 /nfs/dbraw/zinc/80/86/39/437808639.db2.gz LSGARZOJOOVDII-UHFFFAOYSA-N 1 2 330.388 0.990 20 30 ECEDLO N#CC1(NC(=O)C[N@H+]2CCCN(C(=O)c3ccco3)CC2)CCC1 ZINC000363894827 437808645 /nfs/dbraw/zinc/80/86/45/437808645.db2.gz LSGARZOJOOVDII-UHFFFAOYSA-N 1 2 330.388 0.990 20 30 ECEDLO C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000347669262 437926908 /nfs/dbraw/zinc/92/69/08/437926908.db2.gz FZLGTTWYCAINEV-UHFFFAOYSA-N 1 2 345.403 0.707 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000365317093 437893539 /nfs/dbraw/zinc/89/35/39/437893539.db2.gz LPVZSGQCRSFWDZ-CQSZACIVSA-N 1 2 342.465 0.248 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000365317093 437893540 /nfs/dbraw/zinc/89/35/40/437893540.db2.gz LPVZSGQCRSFWDZ-CQSZACIVSA-N 1 2 342.465 0.248 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000347500164 437900876 /nfs/dbraw/zinc/90/08/76/437900876.db2.gz GYQPTAAWIPTJAR-INIZCTEOSA-N 1 2 335.452 0.542 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000371737133 437984697 /nfs/dbraw/zinc/98/46/97/437984697.db2.gz RCTYZDAJRJZDLU-KGLIPLIRSA-N 1 2 345.465 0.140 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000371737133 437984702 /nfs/dbraw/zinc/98/47/02/437984702.db2.gz RCTYZDAJRJZDLU-KGLIPLIRSA-N 1 2 345.465 0.140 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000425646106 438030205 /nfs/dbraw/zinc/03/02/05/438030205.db2.gz BGHHAARLOGCDAX-HOCLYGCPSA-N 1 2 349.435 0.928 20 30 ECEDLO N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000372168806 438042061 /nfs/dbraw/zinc/04/20/61/438042061.db2.gz AQABDYGKHVTTPX-OAHLLOKOSA-N 1 2 331.420 0.520 20 30 ECEDLO N#CCCN(CCn1nc2ccccn2c1=O)CC[NH+]1CCOCC1 ZINC000348702607 438086224 /nfs/dbraw/zinc/08/62/24/438086224.db2.gz UTWREZOUTSYVNG-UHFFFAOYSA-N 1 2 344.419 0.044 20 30 ECEDLO N#CCCN(CC1CC1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000428893080 438094828 /nfs/dbraw/zinc/09/48/28/438094828.db2.gz BMPBYTLGFDYQFC-UHFFFAOYSA-N 1 2 346.435 1.373 20 30 ECEDLO COc1cc(CNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)ccc1C#N ZINC000357778474 438068402 /nfs/dbraw/zinc/06/84/02/438068402.db2.gz IEDSMGADXWTMNY-OAHLLOKOSA-N 1 2 331.420 0.612 20 30 ECEDLO COc1cc(CNC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)ccc1C#N ZINC000357778474 438068410 /nfs/dbraw/zinc/06/84/10/438068410.db2.gz IEDSMGADXWTMNY-OAHLLOKOSA-N 1 2 331.420 0.612 20 30 ECEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)c(C#N)c1C ZINC000366419476 438069186 /nfs/dbraw/zinc/06/91/86/438069186.db2.gz OCWJQNJBHNIRHU-CMPLNLGQSA-N 1 2 346.412 0.770 20 30 ECEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)c(C#N)c1C ZINC000366419476 438069191 /nfs/dbraw/zinc/06/91/91/438069191.db2.gz OCWJQNJBHNIRHU-CMPLNLGQSA-N 1 2 346.412 0.770 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCO[C@H]2C(C)C)CC1 ZINC000373083400 438128121 /nfs/dbraw/zinc/12/81/21/438128121.db2.gz GVASLGVMVNDDFQ-WBVHZDCISA-N 1 2 335.448 0.331 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCO[C@H]2C(C)C)CC1 ZINC000373083400 438128125 /nfs/dbraw/zinc/12/81/25/438128125.db2.gz GVASLGVMVNDDFQ-WBVHZDCISA-N 1 2 335.448 0.331 20 30 ECEDLO C=CCN1CC[C@@H](N(C)C(=O)C2([NH+]3CCN(C)CC3)CCCC2)C1=O ZINC000374050676 438185322 /nfs/dbraw/zinc/18/53/22/438185322.db2.gz LHJAXKVXUUAYTR-MRXNPFEDSA-N 1 2 348.491 0.792 20 30 ECEDLO CCOC(=O)c1nn(C)cc1C[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000373481740 438153994 /nfs/dbraw/zinc/15/39/94/438153994.db2.gz FTIZHLAIFHNCOU-UHFFFAOYSA-N 1 2 343.391 0.897 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)nc(Cl)n2)CC1 ZINC000367388644 438203708 /nfs/dbraw/zinc/20/37/08/438203708.db2.gz QKGXWDLCBQQXBZ-UHFFFAOYSA-N 1 2 349.822 0.336 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)nc(Cl)n2)CC1 ZINC000367388644 438203710 /nfs/dbraw/zinc/20/37/10/438203710.db2.gz QKGXWDLCBQQXBZ-UHFFFAOYSA-N 1 2 349.822 0.336 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000375508771 438258682 /nfs/dbraw/zinc/25/86/82/438258682.db2.gz CJUSBBOGVHZJDU-BREBYQMCSA-N 1 2 334.342 0.636 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000375508771 438258686 /nfs/dbraw/zinc/25/86/86/438258686.db2.gz CJUSBBOGVHZJDU-BREBYQMCSA-N 1 2 334.342 0.636 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](n3cncn3)C2)cc1 ZINC000375330880 438248058 /nfs/dbraw/zinc/24/80/58/438248058.db2.gz ZVEUWDYKLSIDPX-CQSZACIVSA-N 1 2 331.401 0.870 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](n3cncn3)C2)cc1 ZINC000375330880 438248060 /nfs/dbraw/zinc/24/80/60/438248060.db2.gz ZVEUWDYKLSIDPX-CQSZACIVSA-N 1 2 331.401 0.870 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000377906922 438332304 /nfs/dbraw/zinc/33/23/04/438332304.db2.gz KKBCUDWNNQUJRP-STQMWFEESA-N 1 2 342.465 0.470 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000377906922 438332307 /nfs/dbraw/zinc/33/23/07/438332307.db2.gz KKBCUDWNNQUJRP-STQMWFEESA-N 1 2 342.465 0.470 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000377906912 438332366 /nfs/dbraw/zinc/33/23/66/438332366.db2.gz KKBCUDWNNQUJRP-CHWSQXEVSA-N 1 2 342.465 0.470 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000377906912 438332370 /nfs/dbraw/zinc/33/23/70/438332370.db2.gz KKBCUDWNNQUJRP-CHWSQXEVSA-N 1 2 342.465 0.470 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 ZINC000378018776 438337824 /nfs/dbraw/zinc/33/78/24/438337824.db2.gz NJEHHTBNBZYGOF-KBPBESRZSA-N 1 2 336.436 0.768 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 ZINC000378018776 438337829 /nfs/dbraw/zinc/33/78/29/438337829.db2.gz NJEHHTBNBZYGOF-KBPBESRZSA-N 1 2 336.436 0.768 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)OCCC(C)C)CC1 ZINC000377547656 438312312 /nfs/dbraw/zinc/31/23/12/438312312.db2.gz JOWHLURFZSMLKW-MRXNPFEDSA-N 1 2 337.464 0.721 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)OCCC(C)C)CC1 ZINC000377547656 438312314 /nfs/dbraw/zinc/31/23/14/438312314.db2.gz JOWHLURFZSMLKW-MRXNPFEDSA-N 1 2 337.464 0.721 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000435254852 438356107 /nfs/dbraw/zinc/35/61/07/438356107.db2.gz VNHYRNVDAZZUNU-GFCCVEGCSA-N 1 2 348.378 0.815 20 30 ECEDLO N#CCCN(C(=O)C[N@@H+]1CCN2CCOC[C@H]2C1)c1ccccc1 ZINC000368820155 438383991 /nfs/dbraw/zinc/38/39/91/438383991.db2.gz BRGDODFNUABVAN-QGZVFWFLSA-N 1 2 328.416 0.950 20 30 ECEDLO N#CCCN(C(=O)C[N@H+]1CCN2CCOC[C@H]2C1)c1ccccc1 ZINC000368820155 438383996 /nfs/dbraw/zinc/38/39/96/438383996.db2.gz BRGDODFNUABVAN-QGZVFWFLSA-N 1 2 328.416 0.950 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2ccc(=O)[nH]n2)CC1 ZINC000369191340 438436484 /nfs/dbraw/zinc/43/64/84/438436484.db2.gz JCDXLQFGYGBGRA-ZDUSSCGKSA-N 1 2 332.408 0.312 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000368914508 438398835 /nfs/dbraw/zinc/39/88/35/438398835.db2.gz XOJYZHHRMVMGNA-HUUCEWRRSA-N 1 2 336.436 0.460 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000368914508 438398839 /nfs/dbraw/zinc/39/88/39/438398839.db2.gz XOJYZHHRMVMGNA-HUUCEWRRSA-N 1 2 336.436 0.460 20 30 ECEDLO C#CCCCNC(=O)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000378582159 438404960 /nfs/dbraw/zinc/40/49/60/438404960.db2.gz OIAVJVPRMCBOGU-HNNXBMFYSA-N 1 2 336.436 0.022 20 30 ECEDLO Cc1nc(C(=O)N2CCC(N3CC[N@@H+](C)CC3=O)CC2)ccc1C#N ZINC000378575757 438405682 /nfs/dbraw/zinc/40/56/82/438405682.db2.gz XJLDJRZKIDNVBH-UHFFFAOYSA-N 1 2 341.415 0.640 20 30 ECEDLO Cc1nc(C(=O)N2CCC(N3CC[N@H+](C)CC3=O)CC2)ccc1C#N ZINC000378575757 438405687 /nfs/dbraw/zinc/40/56/87/438405687.db2.gz XJLDJRZKIDNVBH-UHFFFAOYSA-N 1 2 341.415 0.640 20 30 ECEDLO Cn1ncc2c1nc(N1CCN(c3cccc(C#N)n3)CC1)[nH+]c2N ZINC000436333622 438406906 /nfs/dbraw/zinc/40/69/06/438406906.db2.gz RBCMOZVCEQWXSG-UHFFFAOYSA-N 1 2 335.375 0.539 20 30 ECEDLO CC[C@H](C(=O)OC)N1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000352665914 438457122 /nfs/dbraw/zinc/45/71/22/438457122.db2.gz GJLRCSNNMJNJKQ-UONOGXRCSA-N 1 2 336.436 0.507 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2cncc(OC)n2)CC1 ZINC000369357516 438461118 /nfs/dbraw/zinc/46/11/18/438461118.db2.gz GOZWCIOIRMPUQU-AWEZNQCLSA-N 1 2 346.435 0.615 20 30 ECEDLO C[C@@H]1C[N@H+](C[C@@H]2CN(C)CCO2)CCN1C(=O)C1(C#N)CCCC1 ZINC000370050923 438545197 /nfs/dbraw/zinc/54/51/97/438545197.db2.gz UGDUNJJXFUXEPN-CVEARBPZSA-N 1 2 334.464 0.934 20 30 ECEDLO C[C@@H]1C[N@@H+](C[C@@H]2CN(C)CCO2)CCN1C(=O)C1(C#N)CCCC1 ZINC000370050923 438545198 /nfs/dbraw/zinc/54/51/98/438545198.db2.gz UGDUNJJXFUXEPN-CVEARBPZSA-N 1 2 334.464 0.934 20 30 ECEDLO C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)C1=O ZINC000422589991 438593096 /nfs/dbraw/zinc/59/30/96/438593096.db2.gz NRANPODVQHTVQB-OAHLLOKOSA-N 1 2 344.415 0.560 20 30 ECEDLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000452108163 438642041 /nfs/dbraw/zinc/64/20/41/438642041.db2.gz VFXBWSHPPDBPTH-NSHDSACASA-N 1 2 343.836 0.899 20 30 ECEDLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000452108163 438642044 /nfs/dbraw/zinc/64/20/44/438642044.db2.gz VFXBWSHPPDBPTH-NSHDSACASA-N 1 2 343.836 0.899 20 30 ECEDLO CS(=O)(=O)[C@@H]1CCCC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000444796263 438664975 /nfs/dbraw/zinc/66/49/75/438664975.db2.gz WDEVAEOOURGDPK-CQSZACIVSA-N 1 2 340.449 0.541 20 30 ECEDLO CS(=O)(=O)[C@@H]1CCCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000444796263 438664979 /nfs/dbraw/zinc/66/49/79/438664979.db2.gz WDEVAEOOURGDPK-CQSZACIVSA-N 1 2 340.449 0.541 20 30 ECEDLO C[C@@H]1C[C@]1(C#N)C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000448707110 438684184 /nfs/dbraw/zinc/68/41/84/438684184.db2.gz CAEPYDOMLFJSRN-FZKQIMNGSA-N 1 2 326.400 0.979 20 30 ECEDLO C[C@@H](NC(=O)C(=O)Nc1cccc(CC#N)c1)[C@H](C)[NH+]1CCOCC1 ZINC000453639167 438686358 /nfs/dbraw/zinc/68/63/58/438686358.db2.gz KBDLIQGDQAKJRS-KGLIPLIRSA-N 1 2 344.415 0.917 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451261981 438697252 /nfs/dbraw/zinc/69/72/52/438697252.db2.gz KHEPVICAEZEVNR-WMLDXEAASA-N 1 2 335.379 0.798 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451261981 438697256 /nfs/dbraw/zinc/69/72/56/438697256.db2.gz KHEPVICAEZEVNR-WMLDXEAASA-N 1 2 335.379 0.798 20 30 ECEDLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)CC2(CC#N)CC2)[C@@H](C)C1 ZINC000451380703 438698148 /nfs/dbraw/zinc/69/81/48/438698148.db2.gz WMYLCYYUAXHGPU-ZDUSSCGKSA-N 1 2 343.449 0.579 20 30 ECEDLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)CC2(CC#N)CC2)[C@@H](C)C1 ZINC000451380703 438698150 /nfs/dbraw/zinc/69/81/50/438698150.db2.gz WMYLCYYUAXHGPU-ZDUSSCGKSA-N 1 2 343.449 0.579 20 30 ECEDLO COC(=O)c1ccc([N+](=O)[O-])c(OC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000414153288 438699525 /nfs/dbraw/zinc/69/95/25/438699525.db2.gz YDXARZQSOSFJFK-GFCCVEGCSA-N 1 2 337.332 0.967 20 30 ECEDLO COC(=O)c1ccc([N+](=O)[O-])c(OC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000414153288 438699528 /nfs/dbraw/zinc/69/95/28/438699528.db2.gz YDXARZQSOSFJFK-GFCCVEGCSA-N 1 2 337.332 0.967 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(CC)n2CC(=C)C)CC1 ZINC000549302220 438735450 /nfs/dbraw/zinc/73/54/50/438735450.db2.gz AJVCFLVMMHDGPU-UHFFFAOYSA-N 1 2 332.452 0.841 20 30 ECEDLO C=C(CO)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000497171420 438774179 /nfs/dbraw/zinc/77/41/79/438774179.db2.gz UXGLILMEJNMKTI-CQSZACIVSA-N 1 2 339.436 0.689 20 30 ECEDLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(c2ccnc(C#N)c2)CC1 ZINC000588005050 438813039 /nfs/dbraw/zinc/81/30/39/438813039.db2.gz AHAUJAJTZRITTL-CQSZACIVSA-N 1 2 329.404 0.323 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(=O)n(-c2ccccc2)n1 ZINC000562322688 438850371 /nfs/dbraw/zinc/85/03/71/438850371.db2.gz DFAWCWROQNTRDX-KRWDZBQOSA-N 1 2 325.372 0.806 20 30 ECEDLO N#CCC(=O)N1CC[NH+](CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000563360512 438861813 /nfs/dbraw/zinc/86/18/13/438861813.db2.gz NWRZLSROWQLHLW-UHFFFAOYSA-N 1 2 325.372 0.936 20 30 ECEDLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000595829071 438868386 /nfs/dbraw/zinc/86/83/86/438868386.db2.gz VZVTVOWCURBZJH-INIZCTEOSA-N 1 2 343.431 0.862 20 30 ECEDLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000595829071 438868392 /nfs/dbraw/zinc/86/83/92/438868392.db2.gz VZVTVOWCURBZJH-INIZCTEOSA-N 1 2 343.431 0.862 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000564870592 438882001 /nfs/dbraw/zinc/88/20/01/438882001.db2.gz CRWCTWVUBNFEGW-QAPCUYQASA-N 1 2 328.416 0.995 20 30 ECEDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000601433498 438891747 /nfs/dbraw/zinc/89/17/47/438891747.db2.gz IEHSQZNOGWFQOL-ZDUSSCGKSA-N 1 2 327.381 0.447 20 30 ECEDLO C[N@H+]1CCO[C@H](CS(=O)(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000601433498 438891752 /nfs/dbraw/zinc/89/17/52/438891752.db2.gz IEHSQZNOGWFQOL-ZDUSSCGKSA-N 1 2 327.381 0.447 20 30 ECEDLO Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000565051945 438909471 /nfs/dbraw/zinc/90/94/71/438909471.db2.gz SGPKWFZKRRQTIY-CQSZACIVSA-N 1 2 342.421 0.412 20 30 ECEDLO CCc1nc(C#N)cc(N2CC[NH+](CC(=O)N[C@@H](C)CC)CC2)n1 ZINC000596073189 438923420 /nfs/dbraw/zinc/92/34/20/438923420.db2.gz ISXFNHDQJKHMTN-ZDUSSCGKSA-N 1 2 330.436 0.947 20 30 ECEDLO CC(C)NC(=O)NCC[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000565419012 438950070 /nfs/dbraw/zinc/95/00/70/438950070.db2.gz KSXNPCKDOYZVHK-CYBMUJFWSA-N 1 2 331.424 0.566 20 30 ECEDLO CC(C)NC(=O)NCC[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000565419012 438950077 /nfs/dbraw/zinc/95/00/77/438950077.db2.gz KSXNPCKDOYZVHK-CYBMUJFWSA-N 1 2 331.424 0.566 20 30 ECEDLO CN1CCCC[C@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)C1=O ZINC000602087333 439008095 /nfs/dbraw/zinc/00/80/95/439008095.db2.gz WXAWWSWLVPNEPR-HNNXBMFYSA-N 1 2 336.436 0.319 20 30 ECEDLO C=CCn1cc(CNC(=O)N2CCN(Cc3[nH+]ccn3C)CC2)nn1 ZINC000579951099 439051007 /nfs/dbraw/zinc/05/10/07/439051007.db2.gz ONYGZRLFGAIZLI-UHFFFAOYSA-N 1 2 344.423 0.225 20 30 ECEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2cncc(C#N)n2)CC1 ZINC000591459186 439016702 /nfs/dbraw/zinc/01/67/02/439016702.db2.gz SVDWULBUXRNWHH-CQSZACIVSA-N 1 2 328.420 0.871 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COCCNC(=O)c1ccccc1 ZINC000579839177 439039487 /nfs/dbraw/zinc/03/94/87/439039487.db2.gz NLRRSTVBWWJNHE-QGZVFWFLSA-N 1 2 332.404 0.393 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(Cc2cccc(C#N)n2)CC1 ZINC000602464507 439089713 /nfs/dbraw/zinc/08/97/13/439089713.db2.gz YOFNPSPJYMPVRB-OAHLLOKOSA-N 1 2 345.447 0.612 20 30 ECEDLO C[C@H](C(=O)NC1(c2ccc(C#N)cc2)CCC1)N1CC[NH2+]CC1=O ZINC000602520566 439103109 /nfs/dbraw/zinc/10/31/09/439103109.db2.gz HGNHRWBKZFLUCT-CYBMUJFWSA-N 1 2 326.400 0.874 20 30 ECEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CN1CC[NH2+]CC1=O ZINC000602533428 439108257 /nfs/dbraw/zinc/10/82/57/439108257.db2.gz YGWYVFLOPVGWGG-UHFFFAOYSA-N 1 2 328.416 0.975 20 30 ECEDLO N#CCc1ccc(CNC(=O)N(CCO)CC[NH+]2CCOCC2)cc1 ZINC000592044585 439140709 /nfs/dbraw/zinc/14/07/09/439140709.db2.gz FTWYUKZVWAWYDH-UHFFFAOYSA-N 1 2 346.431 0.589 20 30 ECEDLO Cc1nn(C)c(N2CC[NH+]([C@H]3CCN(C4CCC4)C3=O)CC2)c1C#N ZINC000602815007 439140735 /nfs/dbraw/zinc/14/07/35/439140735.db2.gz JBNMRYPYOORMDX-INIZCTEOSA-N 1 2 342.447 0.876 20 30 ECEDLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856463 439144153 /nfs/dbraw/zinc/14/41/53/439144153.db2.gz MHALVXBISKPZSE-HZSPNIEDSA-N 1 2 335.452 0.030 20 30 ECEDLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856463 439144159 /nfs/dbraw/zinc/14/41/59/439144159.db2.gz MHALVXBISKPZSE-HZSPNIEDSA-N 1 2 335.452 0.030 20 30 ECEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](Cn3ccnn3)C2)cc1 ZINC000602902104 439155506 /nfs/dbraw/zinc/15/55/06/439155506.db2.gz GHPNXSYMVBWNCB-DOTOQJQBSA-N 1 2 343.387 0.290 20 30 ECEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](Cn3ccnn3)C2)cc1 ZINC000602902104 439155511 /nfs/dbraw/zinc/15/55/11/439155511.db2.gz GHPNXSYMVBWNCB-DOTOQJQBSA-N 1 2 343.387 0.290 20 30 ECEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000602910420 439156474 /nfs/dbraw/zinc/15/64/74/439156474.db2.gz YJHRZPHFAXNWFL-HNNXBMFYSA-N 1 2 343.387 0.938 20 30 ECEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000602910420 439156481 /nfs/dbraw/zinc/15/64/81/439156481.db2.gz YJHRZPHFAXNWFL-HNNXBMFYSA-N 1 2 343.387 0.938 20 30 ECEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2cc(C#N)ncn2)CC1 ZINC000525892389 439223312 /nfs/dbraw/zinc/22/33/12/439223312.db2.gz CVMUHCXDWGKMCQ-AWEZNQCLSA-N 1 2 328.420 0.871 20 30 ECEDLO CCOC(=O)[C@]1(C)C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)CCO1 ZINC000603005970 439183100 /nfs/dbraw/zinc/18/31/00/439183100.db2.gz UHXDSIVAEZNQMM-ZBFHGGJFSA-N 1 2 340.420 0.712 20 30 ECEDLO CCOC(=O)[C@]1(C)C[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)CCO1 ZINC000603005970 439183108 /nfs/dbraw/zinc/18/31/08/439183108.db2.gz UHXDSIVAEZNQMM-ZBFHGGJFSA-N 1 2 340.420 0.712 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000592205859 439183553 /nfs/dbraw/zinc/18/35/53/439183553.db2.gz XZBLUKMXDGYGEG-ZBFHGGJFSA-N 1 2 345.399 0.789 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000592205859 439183557 /nfs/dbraw/zinc/18/35/57/439183557.db2.gz XZBLUKMXDGYGEG-ZBFHGGJFSA-N 1 2 345.399 0.789 20 30 ECEDLO C[N@H+](CCO)Cc1cn([C@H]2CCN(c3sccc3C#N)C2=O)nn1 ZINC000603192405 439207795 /nfs/dbraw/zinc/20/77/95/439207795.db2.gz ILFTYEOWSJZDAU-ZDUSSCGKSA-N 1 2 346.416 0.613 20 30 ECEDLO C[N@@H+](CCO)Cc1cn([C@H]2CCN(c3sccc3C#N)C2=O)nn1 ZINC000603192405 439207799 /nfs/dbraw/zinc/20/77/99/439207799.db2.gz ILFTYEOWSJZDAU-ZDUSSCGKSA-N 1 2 346.416 0.613 20 30 ECEDLO C=CCCCS(=O)(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000489121651 439215490 /nfs/dbraw/zinc/21/54/90/439215490.db2.gz YPVUDVHILBEQDN-UHFFFAOYSA-N 1 2 339.465 0.484 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCC1)n1cc(CC[NH+]2CCOCC2)nn1 ZINC000603239327 439216671 /nfs/dbraw/zinc/21/66/71/439216671.db2.gz FQULDQNLYJRHCF-CYBMUJFWSA-N 1 2 332.408 0.276 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCc2ncncc2C1 ZINC000592758433 439274064 /nfs/dbraw/zinc/27/40/64/439274064.db2.gz ZKCIQTMJHRBBSB-HNNXBMFYSA-N 1 2 343.431 0.656 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)N(CCC)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000490604268 439278098 /nfs/dbraw/zinc/27/80/98/439278098.db2.gz JEWGLCGXRQEIPQ-HNNXBMFYSA-N 1 2 326.462 0.757 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc([C@H]3COCCO3)n2CC(C)C)CC1 ZINC000491119076 439332163 /nfs/dbraw/zinc/33/21/63/439332163.db2.gz HATZYPLFQKKGFI-OAHLLOKOSA-N 1 2 333.436 0.777 20 30 ECEDLO C[C@@H]1CO[C@H](CO)C[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528402165 439333410 /nfs/dbraw/zinc/33/34/10/439333410.db2.gz CTKQEVMJMABHOW-KGLIPLIRSA-N 1 2 328.368 0.368 20 30 ECEDLO C[C@@H]1CO[C@H](CO)C[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528402165 439333415 /nfs/dbraw/zinc/33/34/15/439333415.db2.gz CTKQEVMJMABHOW-KGLIPLIRSA-N 1 2 328.368 0.368 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)CC2)cc1 ZINC000603831627 439285048 /nfs/dbraw/zinc/28/50/48/439285048.db2.gz KAIXUFQIWOFZRD-UHFFFAOYSA-N 1 2 337.383 0.943 20 30 ECEDLO COCC(=O)NC1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000603882522 439287384 /nfs/dbraw/zinc/28/73/84/439287384.db2.gz UHQLOSKUKFYASU-UHFFFAOYSA-N 1 2 330.388 0.724 20 30 ECEDLO Cn1nc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c2ccccc2c1=O ZINC000582125427 439293472 /nfs/dbraw/zinc/29/34/72/439293472.db2.gz RMOJCEMVPOOZSO-KRWDZBQOSA-N 1 2 327.388 0.436 20 30 ECEDLO Cn1nc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)c2ccccc2c1=O ZINC000582125428 439293482 /nfs/dbraw/zinc/29/34/82/439293482.db2.gz RMOJCEMVPOOZSO-QGZVFWFLSA-N 1 2 327.388 0.436 20 30 ECEDLO C#CC[N@@H+](C[C@H](O)COc1ccccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000490865849 439305573 /nfs/dbraw/zinc/30/55/73/439305573.db2.gz JBESXHASBRQEQH-HOTGVXAUSA-N 1 2 337.441 0.857 20 30 ECEDLO C#CC[N@H+](C[C@H](O)COc1ccccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000490865849 439305578 /nfs/dbraw/zinc/30/55/78/439305578.db2.gz JBESXHASBRQEQH-HOTGVXAUSA-N 1 2 337.441 0.857 20 30 ECEDLO C[C@@H](O)[C@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000528517589 439343443 /nfs/dbraw/zinc/34/34/43/439343443.db2.gz AUSACXBKVPHSJL-CZUORRHYSA-N 1 2 328.368 0.368 20 30 ECEDLO C[C@@H](O)[C@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000528517589 439343454 /nfs/dbraw/zinc/34/34/54/439343454.db2.gz AUSACXBKVPHSJL-CZUORRHYSA-N 1 2 328.368 0.368 20 30 ECEDLO C[C@H](O)[C@@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000528517585 439345108 /nfs/dbraw/zinc/34/51/08/439345108.db2.gz AUSACXBKVPHSJL-BBRMVZONSA-N 1 2 328.368 0.368 20 30 ECEDLO C[C@H](O)[C@@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000528517585 439345115 /nfs/dbraw/zinc/34/51/15/439345115.db2.gz AUSACXBKVPHSJL-BBRMVZONSA-N 1 2 328.368 0.368 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](CN2C(=O)N[C@](CC)(C3CC3)C2=O)CC1 ZINC000491201838 439347559 /nfs/dbraw/zinc/34/75/59/439347559.db2.gz KESGBRGLZHPUIX-GOSISDBHSA-N 1 2 346.431 0.516 20 30 ECEDLO CN(C)S(=O)(=O)c1cccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000593155789 439349915 /nfs/dbraw/zinc/34/99/15/439349915.db2.gz BWPXOORCAJDKSG-HNNXBMFYSA-N 1 2 338.433 0.511 20 30 ECEDLO C#CCNS(=O)(=O)c1cccc(C(=O)OCCc2c[nH+]cn2C)c1 ZINC000491209897 439350123 /nfs/dbraw/zinc/35/01/23/439350123.db2.gz NIPAFFPQLOEIHP-UHFFFAOYSA-N 1 2 347.396 0.731 20 30 ECEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000599192722 439377886 /nfs/dbraw/zinc/37/78/86/439377886.db2.gz FSOGLCYKGMYXMB-OAHLLOKOSA-N 1 2 344.419 0.115 20 30 ECEDLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000599192722 439377891 /nfs/dbraw/zinc/37/78/91/439377891.db2.gz FSOGLCYKGMYXMB-OAHLLOKOSA-N 1 2 344.419 0.115 20 30 ECEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(C(=O)OC)no2)CC1 ZINC000599234030 439393632 /nfs/dbraw/zinc/39/36/32/439393632.db2.gz YGEYZVKDKHIBID-UHFFFAOYSA-N 1 2 329.378 0.390 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\c2ccn(C)c2)CC1 ZINC000491524971 439399357 /nfs/dbraw/zinc/39/93/57/439399357.db2.gz PLZDGZJVBGSRAX-WAYWQWQTSA-N 1 2 328.416 0.322 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\c2ccn(C)c2)CC1 ZINC000491524971 439399362 /nfs/dbraw/zinc/39/93/62/439399362.db2.gz PLZDGZJVBGSRAX-WAYWQWQTSA-N 1 2 328.416 0.322 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cc(-c3ccc(C)o3)ncc2=O)CC1 ZINC000491622855 439413031 /nfs/dbraw/zinc/41/30/31/439413031.db2.gz FJBCHGVCDLACMI-UHFFFAOYSA-N 1 2 340.383 0.589 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2ccn(C3CCCC3)n2)CC1 ZINC000491629659 439415521 /nfs/dbraw/zinc/41/55/21/439415521.db2.gz MJZHDGHCVZDYSF-UHFFFAOYSA-N 1 2 329.448 0.865 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2(CC=C)CCOCC2)CC1 ZINC000491640482 439416336 /nfs/dbraw/zinc/41/63/36/439416336.db2.gz YNGAWQLOHVHYPL-UHFFFAOYSA-N 1 2 347.459 0.643 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(CC=C)CCOCC2)CC1 ZINC000491640482 439416343 /nfs/dbraw/zinc/41/63/43/439416343.db2.gz YNGAWQLOHVHYPL-UHFFFAOYSA-N 1 2 347.459 0.643 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccsc2C#N)C[C@H](C)[N@H+]1CCO ZINC000593602632 439419816 /nfs/dbraw/zinc/41/98/16/439419816.db2.gz XCFNVCGATNUMQL-PHIMTYICSA-N 1 2 329.447 0.695 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccsc2C#N)C[C@H](C)[N@@H+]1CCO ZINC000593602632 439419821 /nfs/dbraw/zinc/41/98/21/439419821.db2.gz XCFNVCGATNUMQL-PHIMTYICSA-N 1 2 329.447 0.695 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+](C)CCNC(=O)OC(C)(C)C)CC1 ZINC000491650915 439420342 /nfs/dbraw/zinc/42/03/42/439420342.db2.gz CQHKEXBRRXCZHF-UHFFFAOYSA-N 1 2 338.452 0.220 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+](C)CCNC(=O)OC(C)(C)C)CC1 ZINC000491650915 439420348 /nfs/dbraw/zinc/42/03/48/439420348.db2.gz CQHKEXBRRXCZHF-UHFFFAOYSA-N 1 2 338.452 0.220 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@@H](C)c2cc(C)c(C(=O)OC)o2)CC1 ZINC000491666391 439424344 /nfs/dbraw/zinc/42/43/44/439424344.db2.gz HDVCNQVDWUSKTR-AWEZNQCLSA-N 1 2 347.415 0.803 20 30 ECEDLO C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000491695844 439428120 /nfs/dbraw/zinc/42/81/20/439428120.db2.gz CWTSRQGLVVMXBJ-ZDUSSCGKSA-N 1 2 330.388 0.693 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc3ccc(=O)n(C)c3c2)CC1 ZINC000491704372 439430406 /nfs/dbraw/zinc/43/04/06/439430406.db2.gz OTLHFXVOADZINX-UHFFFAOYSA-N 1 2 338.411 0.728 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\c2ccncc2C)CC1 ZINC000491709552 439433450 /nfs/dbraw/zinc/43/34/50/439433450.db2.gz QSNNTHHMXXOMRF-WAYWQWQTSA-N 1 2 340.427 0.687 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\c2ccncc2C)CC1 ZINC000491709552 439433455 /nfs/dbraw/zinc/43/34/55/439433455.db2.gz QSNNTHHMXXOMRF-WAYWQWQTSA-N 1 2 340.427 0.687 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc3cc[nH]c3n2)CC1 ZINC000491729187 439437640 /nfs/dbraw/zinc/43/76/40/439437640.db2.gz NBKZOTOWTKHHPA-UHFFFAOYSA-N 1 2 339.399 0.460 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc3cc[nH]c3n2)CC1 ZINC000491729187 439437645 /nfs/dbraw/zinc/43/76/45/439437645.db2.gz NBKZOTOWTKHHPA-UHFFFAOYSA-N 1 2 339.399 0.460 20 30 ECEDLO C#CCn1ccc(C[N@H+](CCOC)CC2CCS(=O)(=O)CC2)n1 ZINC000491729007 439438078 /nfs/dbraw/zinc/43/80/78/439438078.db2.gz NAMAGVBIMHMSHG-UHFFFAOYSA-N 1 2 339.461 0.790 20 30 ECEDLO C#CCn1ccc(C[N@@H+](CCOC)CC2CCS(=O)(=O)CC2)n1 ZINC000491729007 439438080 /nfs/dbraw/zinc/43/80/80/439438080.db2.gz NAMAGVBIMHMSHG-UHFFFAOYSA-N 1 2 339.461 0.790 20 30 ECEDLO CC(C)(C#N)c1ccc(S(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000593653114 439438104 /nfs/dbraw/zinc/43/81/04/439438104.db2.gz SYBXYVVMWLVKOX-OAHLLOKOSA-N 1 2 349.456 0.927 20 30 ECEDLO CC(C)(C#N)c1ccc(S(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000593653114 439438108 /nfs/dbraw/zinc/43/81/08/439438108.db2.gz SYBXYVVMWLVKOX-OAHLLOKOSA-N 1 2 349.456 0.927 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cc3oc(=O)n(C)c3cc2F)CC1 ZINC000491750914 439442349 /nfs/dbraw/zinc/44/23/49/439442349.db2.gz VWZXIGGFAJMJAL-UHFFFAOYSA-N 1 2 346.362 0.460 20 30 ECEDLO N#Cc1ccc([C@H](C(N)=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000570694650 439442899 /nfs/dbraw/zinc/44/28/99/439442899.db2.gz LMZZFMAKEIVGTE-IAGOWNOFSA-N 1 2 328.416 0.881 20 30 ECEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@@H](N3CCOCC3)C2)cc1 ZINC000570694650 439442901 /nfs/dbraw/zinc/44/29/01/439442901.db2.gz LMZZFMAKEIVGTE-IAGOWNOFSA-N 1 2 328.416 0.881 20 30 ECEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@@H](N3CCOCC3)C2)cc1 ZINC000570694650 439442905 /nfs/dbraw/zinc/44/29/05/439442905.db2.gz LMZZFMAKEIVGTE-IAGOWNOFSA-N 1 2 328.416 0.881 20 30 ECEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000491782821 439449883 /nfs/dbraw/zinc/44/98/83/439449883.db2.gz OERVBIYWEXDSPM-SECBINFHSA-N 1 2 329.809 0.879 20 30 ECEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000491782821 439449888 /nfs/dbraw/zinc/44/98/88/439449888.db2.gz OERVBIYWEXDSPM-SECBINFHSA-N 1 2 329.809 0.879 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000491787610 439451109 /nfs/dbraw/zinc/45/11/09/439451109.db2.gz VYFAULFEUTWBIK-UHFFFAOYSA-N 1 2 326.400 0.456 20 30 ECEDLO C#C[C@@H](C)N(C)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000491794702 439451723 /nfs/dbraw/zinc/45/17/23/439451723.db2.gz RWKIBEQSHDDNBT-OAHLLOKOSA-N 1 2 343.431 0.783 20 30 ECEDLO COC(=O)[C@@]1(OC)CC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000599568306 439507540 /nfs/dbraw/zinc/50/75/40/439507540.db2.gz ZYUWPQGCWDKTSN-MLGOLLRUSA-N 1 2 349.412 0.989 20 30 ECEDLO COC(=O)[C@@]1(OC)CC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000599568306 439507545 /nfs/dbraw/zinc/50/75/45/439507545.db2.gz ZYUWPQGCWDKTSN-MLGOLLRUSA-N 1 2 349.412 0.989 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000533061142 439522121 /nfs/dbraw/zinc/52/21/21/439522121.db2.gz HQZMFGHJSUMPQS-NFAWXSAZSA-N 1 2 344.481 0.443 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000533061142 439522125 /nfs/dbraw/zinc/52/21/25/439522125.db2.gz HQZMFGHJSUMPQS-NFAWXSAZSA-N 1 2 344.481 0.443 20 30 ECEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCO[C@H](CC(N)=O)C3)C2=O)cc1 ZINC000599664012 439531845 /nfs/dbraw/zinc/53/18/45/439531845.db2.gz KOLNPBXDOVZYKA-HZPDHXFCSA-N 1 2 342.399 0.630 20 30 ECEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCO[C@H](CC(N)=O)C3)C2=O)cc1 ZINC000599664012 439531848 /nfs/dbraw/zinc/53/18/48/439531848.db2.gz KOLNPBXDOVZYKA-HZPDHXFCSA-N 1 2 342.399 0.630 20 30 ECEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000594325745 439542969 /nfs/dbraw/zinc/54/29/69/439542969.db2.gz JEOMRMWUKGXXSF-AWEZNQCLSA-N 1 2 328.416 0.675 20 30 ECEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000594325745 439542975 /nfs/dbraw/zinc/54/29/75/439542975.db2.gz JEOMRMWUKGXXSF-AWEZNQCLSA-N 1 2 328.416 0.675 20 30 ECEDLO CC(C)N(CCC#N)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000609170404 439553468 /nfs/dbraw/zinc/55/34/68/439553468.db2.gz QIHICJNHJVOVJV-HNNXBMFYSA-N 1 2 336.436 0.318 20 30 ECEDLO Cc1nc(S(=O)(=O)N2CC[NH+]([C@H](C)CCC#N)CC2)cn1C ZINC000584235134 439565304 /nfs/dbraw/zinc/56/53/04/439565304.db2.gz ITTVAEIVSTWSOB-GFCCVEGCSA-N 1 2 325.438 0.727 20 30 ECEDLO COc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1-n1cnnn1 ZINC000572092180 439556340 /nfs/dbraw/zinc/55/63/40/439556340.db2.gz HQUBAFSJWSMGTL-OAHLLOKOSA-N 1 2 329.364 0.245 20 30 ECEDLO C[C@H](CNS(=O)(=O)c1ccc(C#N)o1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471942 439566761 /nfs/dbraw/zinc/56/67/61/439566761.db2.gz SZYGTKLRMQKWOR-UTUOFQBUSA-N 1 2 327.406 0.927 20 30 ECEDLO C[C@H](CNS(=O)(=O)c1ccc(C#N)o1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471942 439566765 /nfs/dbraw/zinc/56/67/65/439566765.db2.gz SZYGTKLRMQKWOR-UTUOFQBUSA-N 1 2 327.406 0.927 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)nc1N ZINC000594542967 439575438 /nfs/dbraw/zinc/57/54/38/439575438.db2.gz IMIXTLPKVAUHIB-UHFFFAOYSA-N 1 2 328.420 0.670 20 30 ECEDLO COCCNC(=O)C1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000609671897 439584078 /nfs/dbraw/zinc/58/40/78/439584078.db2.gz ZDFYVWKYSYPXJP-MRXNPFEDSA-N 1 2 344.415 0.559 20 30 ECEDLO Cc1cc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)nn1C ZINC000594902330 439641715 /nfs/dbraw/zinc/64/17/15/439641715.db2.gz XZUGRWHIDQQTPI-UHFFFAOYSA-N 1 2 327.388 0.642 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccccc2CC#N)[C@H](C)C1 ZINC000585708404 439645320 /nfs/dbraw/zinc/64/53/20/439645320.db2.gz SGUSCCGKFMLMAC-KGLIPLIRSA-N 1 2 337.445 0.828 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccccc2CC#N)[C@H](C)C1 ZINC000585708404 439645323 /nfs/dbraw/zinc/64/53/23/439645323.db2.gz SGUSCCGKFMLMAC-KGLIPLIRSA-N 1 2 337.445 0.828 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cccc(C#N)n2)[C@@H](C)CO1 ZINC000595126990 439658863 /nfs/dbraw/zinc/65/88/63/439658863.db2.gz YEVXRWSGORGFEA-NWDGAFQWSA-N 1 2 331.376 0.117 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cccc(C#N)n2)[C@@H](C)CO1 ZINC000595126990 439658866 /nfs/dbraw/zinc/65/88/66/439658866.db2.gz YEVXRWSGORGFEA-NWDGAFQWSA-N 1 2 331.376 0.117 20 30 ECEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595151770 439661618 /nfs/dbraw/zinc/66/16/18/439661618.db2.gz JPPMEYAKKPDLLH-OAHLLOKOSA-N 1 2 342.399 0.738 20 30 ECEDLO N#CCc1cccc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000595149256 439661629 /nfs/dbraw/zinc/66/16/29/439661629.db2.gz CVDNONMPJCEHFF-INIZCTEOSA-N 1 2 342.399 0.624 20 30 ECEDLO N#Cc1ccc(N2CCC[C@H]2C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1 ZINC000610963939 439662116 /nfs/dbraw/zinc/66/21/16/439662116.db2.gz REJDZQDFDRCYNQ-ROUUACIJSA-N 1 2 339.443 0.643 20 30 ECEDLO N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1 ZINC000610963938 439662772 /nfs/dbraw/zinc/66/27/72/439662772.db2.gz REJDZQDFDRCYNQ-QZTJIDSGSA-N 1 2 339.443 0.643 20 30 ECEDLO CN(C)C(=O)C[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000587005678 439666133 /nfs/dbraw/zinc/66/61/33/439666133.db2.gz JNJPQXOVMSBUSI-UHFFFAOYSA-N 1 2 332.364 0.259 20 30 ECEDLO N#CC1(CS(=O)(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC000595359435 439712013 /nfs/dbraw/zinc/71/20/13/439712013.db2.gz KOCZMUGCUWQRMU-ZIAGYGMSSA-N 1 2 339.461 0.853 20 30 ECEDLO N#Cc1cccc(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)n1 ZINC000600682150 439688781 /nfs/dbraw/zinc/68/87/81/439688781.db2.gz LMMZQUZUJLSSKY-INIZCTEOSA-N 1 2 337.383 0.979 20 30 ECEDLO N#Cc1cccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)n1 ZINC000600682150 439688784 /nfs/dbraw/zinc/68/87/84/439688784.db2.gz LMMZQUZUJLSSKY-INIZCTEOSA-N 1 2 337.383 0.979 20 30 ECEDLO Cc1nnc(CN2CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)[nH]1 ZINC000611431369 439696582 /nfs/dbraw/zinc/69/65/82/439696582.db2.gz VUOOXVITBMSZIM-DYVFJYSZSA-N 1 2 347.467 0.674 20 30 ECEDLO CN1CC[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000613866132 439765250 /nfs/dbraw/zinc/76/52/50/439765250.db2.gz GYMBNKAQNCFMQV-INIZCTEOSA-N 1 2 326.400 0.681 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000614670750 439784286 /nfs/dbraw/zinc/78/42/86/439784286.db2.gz YDBBVNSBGFVBRE-LSDHHAIUSA-N 1 2 349.435 0.869 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000614670750 439784287 /nfs/dbraw/zinc/78/42/87/439784287.db2.gz YDBBVNSBGFVBRE-LSDHHAIUSA-N 1 2 349.435 0.869 20 30 ECEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000614919266 439790267 /nfs/dbraw/zinc/79/02/67/439790267.db2.gz AXMHAKYPUUADJK-PVAVHDDUSA-N 1 2 348.399 0.491 20 30 ECEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000614919266 439790268 /nfs/dbraw/zinc/79/02/68/439790268.db2.gz AXMHAKYPUUADJK-PVAVHDDUSA-N 1 2 348.399 0.491 20 30 ECEDLO CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000646952758 439945283 /nfs/dbraw/zinc/94/52/83/439945283.db2.gz IKYAKLJGAUNRSF-HNNXBMFYSA-N 1 2 340.383 0.916 20 30 ECEDLO C=CCOCCCNC(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000658673546 440057818 /nfs/dbraw/zinc/05/78/18/440057818.db2.gz QZGDLAGAJAIRJW-UHFFFAOYSA-N 1 2 346.431 0.748 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(Br)cnn2)CC1 ZINC000663359118 440058081 /nfs/dbraw/zinc/05/80/81/440058081.db2.gz CWNNQBXXZWVOLB-UHFFFAOYSA-N 1 2 340.225 0.663 20 30 ECEDLO C=CCCC(C)(C)CNC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000637195677 440199858 /nfs/dbraw/zinc/19/98/58/440199858.db2.gz FVUJZCSRFBOQIT-AWEZNQCLSA-N 1 2 325.453 0.932 20 30 ECEDLO C=CCCC(C)(C)CNC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000637195677 440199863 /nfs/dbraw/zinc/19/98/63/440199863.db2.gz FVUJZCSRFBOQIT-AWEZNQCLSA-N 1 2 325.453 0.932 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ncccn3)C2)nn1 ZINC000648869898 440347265 /nfs/dbraw/zinc/34/72/65/440347265.db2.gz JVLGGMBGAYRXCI-CYBMUJFWSA-N 1 2 327.392 0.601 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ncccn3)C2)nn1 ZINC000648869898 440347270 /nfs/dbraw/zinc/34/72/70/440347270.db2.gz JVLGGMBGAYRXCI-CYBMUJFWSA-N 1 2 327.392 0.601 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2c3c(nn2C)CCCC3)CC1 ZINC000637880740 440355549 /nfs/dbraw/zinc/35/55/49/440355549.db2.gz WEHBMABSRMNFMO-UHFFFAOYSA-N 1 2 331.464 0.719 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2c3c(nn2C)CCCC3)CC1 ZINC000637880740 440355553 /nfs/dbraw/zinc/35/55/53/440355553.db2.gz WEHBMABSRMNFMO-UHFFFAOYSA-N 1 2 331.464 0.719 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(=O)n4nccc4[nH]3)CC2)nc1 ZINC000171734295 320514914 /nfs/dbraw/zinc/51/49/14/320514914.db2.gz PWJRKWPSPFOHOG-UHFFFAOYSA-N 1 2 335.371 0.611 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(C#N)cc1F ZINC000556313865 322189631 /nfs/dbraw/zinc/18/96/31/322189631.db2.gz CHKBABLLMKKJBW-LLVKDONJSA-N 1 2 327.381 0.384 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(C#N)cc1F ZINC000556313865 322189633 /nfs/dbraw/zinc/18/96/33/322189633.db2.gz CHKBABLLMKKJBW-LLVKDONJSA-N 1 2 327.381 0.384 20 30 ECEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ncc(C#N)cc2C)C1 ZINC000562709716 322282050 /nfs/dbraw/zinc/28/20/50/322282050.db2.gz AYRDLNQKJLWURN-ZDUSSCGKSA-N 1 2 330.388 0.877 20 30 ECEDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ncc(C#N)cc2C)C1 ZINC000562709716 322282051 /nfs/dbraw/zinc/28/20/51/322282051.db2.gz AYRDLNQKJLWURN-ZDUSSCGKSA-N 1 2 330.388 0.877 20 30 ECEDLO Cc1nsc(N2CCN(C(=O)Cc3c[nH+]cn3C)CC2)c1C#N ZINC000564628586 322383011 /nfs/dbraw/zinc/38/30/11/322383011.db2.gz UGRUHIXMTFLGHW-UHFFFAOYSA-N 1 2 330.417 0.948 20 30 ECEDLO CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000568464769 322629005 /nfs/dbraw/zinc/62/90/05/322629005.db2.gz BECOJCPLMHAKAA-ZDUSSCGKSA-N 1 2 344.419 0.698 20 30 ECEDLO C[C@@H](C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)[NH+]1CCOCC1 ZINC000573696818 322766349 /nfs/dbraw/zinc/76/63/49/322766349.db2.gz OZNDHHQQZYLGPQ-ZFWWWQNUSA-N 1 2 330.388 0.654 20 30 ECEDLO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)C2)C1 ZINC001041744846 782107638 /nfs/dbraw/zinc/10/76/38/782107638.db2.gz MCXSYZDRDKRXJL-KRWDZBQOSA-N 1 2 342.403 0.182 20 30 ECEDLO C=CC[N@H+]1CC[C@]2(CCN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)C2)C1 ZINC001041744846 782107642 /nfs/dbraw/zinc/10/76/42/782107642.db2.gz MCXSYZDRDKRXJL-KRWDZBQOSA-N 1 2 342.403 0.182 20 30 ECEDLO C=CCOc1ccc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1OC ZINC000178612885 526846839 /nfs/dbraw/zinc/84/68/39/526846839.db2.gz ZLGFWAISXCTWPG-OAHLLOKOSA-N 1 2 331.416 0.990 20 30 ECEDLO C[C@@H](C(=O)N1CC(O)(CC#N)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000186833673 545896914 /nfs/dbraw/zinc/89/69/14/545896914.db2.gz PCWJOXVMBLEKKB-AWEZNQCLSA-N 1 2 346.406 0.823 20 30 ECEDLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCc2c(ncn(C)c2=O)C1 ZINC000329642917 546030105 /nfs/dbraw/zinc/03/01/05/546030105.db2.gz ISJMSWCKCPFKAQ-LLVKDONJSA-N 1 2 347.419 0.104 20 30 ECEDLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCc2c(ncn(C)c2=O)C1 ZINC000329642917 546030108 /nfs/dbraw/zinc/03/01/08/546030108.db2.gz ISJMSWCKCPFKAQ-LLVKDONJSA-N 1 2 347.419 0.104 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)[C@@H](C)C1 ZINC000329711915 546031622 /nfs/dbraw/zinc/03/16/22/546031622.db2.gz PFTKRDZEUXRHNF-IHRRRGAJSA-N 1 2 347.481 0.112 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)[C@@H](C)C1 ZINC000329711915 546031625 /nfs/dbraw/zinc/03/16/25/546031625.db2.gz PFTKRDZEUXRHNF-IHRRRGAJSA-N 1 2 347.481 0.112 20 30 ECEDLO CN(C)c1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cn1 ZINC000329738728 546033041 /nfs/dbraw/zinc/03/30/41/546033041.db2.gz MXEXFHMAFDIMHC-OAHLLOKOSA-N 1 2 333.436 0.968 20 30 ECEDLO O=C(NC[C@@H]1CC[C@@H](O)C1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329963140 546037130 /nfs/dbraw/zinc/03/71/30/546037130.db2.gz PSFKSJBSENFRSJ-ZIAGYGMSSA-N 1 2 337.424 0.702 20 30 ECEDLO C[C@@H](C(=O)NC(N)=O)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000619647530 546355056 /nfs/dbraw/zinc/35/50/56/546355056.db2.gz XHFJWXGNWWEMBE-FZMZJTMJSA-N 1 2 333.367 0.591 20 30 ECEDLO CNC(=O)NC(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000619647452 546355186 /nfs/dbraw/zinc/35/51/86/546355186.db2.gz PXCLGTBZGOAVKX-WFASDCNBSA-N 1 2 347.394 0.852 20 30 ECEDLO CNC(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000619694378 546358489 /nfs/dbraw/zinc/35/84/89/546358489.db2.gz IIMJIOSPJIHBGN-UHFFFAOYSA-N 1 2 327.310 0.840 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000619942998 546389579 /nfs/dbraw/zinc/38/95/79/546389579.db2.gz WIIGATGLKSDJDU-MOPGFXCFSA-N 1 2 348.443 0.693 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000619942998 546389581 /nfs/dbraw/zinc/38/95/81/546389581.db2.gz WIIGATGLKSDJDU-MOPGFXCFSA-N 1 2 348.443 0.693 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3ccc(F)cc3C(N)=O)CC2)C1=O ZINC000621381881 546510600 /nfs/dbraw/zinc/51/06/00/546510600.db2.gz AWBSQYQGIDPULH-MRXNPFEDSA-N 1 2 346.406 0.834 20 30 ECEDLO C=CCN(C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000624489993 546929024 /nfs/dbraw/zinc/92/90/24/546929024.db2.gz KEPPSXUUMXAJBG-ZIAGYGMSSA-N 1 2 337.445 0.956 20 30 ECEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H](CS(=O)(=O)NC)C2)nn1 ZINC000626165812 547305130 /nfs/dbraw/zinc/30/51/30/547305130.db2.gz GQKLEMQVLBRMDY-CYBMUJFWSA-N 1 2 327.454 0.615 20 30 ECEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H](CS(=O)(=O)NC)C2)nn1 ZINC000626165812 547305135 /nfs/dbraw/zinc/30/51/35/547305135.db2.gz GQKLEMQVLBRMDY-CYBMUJFWSA-N 1 2 327.454 0.615 20 30 ECEDLO COC[C@@]1(C)C[N@H+](CC#CCN2CCO[C@](C)(COC)C2)CCO1 ZINC000626176147 547311189 /nfs/dbraw/zinc/31/11/89/547311189.db2.gz GSLBRNGLWRKTHV-HDICACEKSA-N 1 2 340.464 0.464 20 30 ECEDLO COC[C@@]1(C)C[N@@H+](CC#CCN2CCO[C@](C)(COC)C2)CCO1 ZINC000626176147 547311191 /nfs/dbraw/zinc/31/11/91/547311191.db2.gz GSLBRNGLWRKTHV-HDICACEKSA-N 1 2 340.464 0.464 20 30 ECEDLO COC[C@@]1(C)CN(CC#CC[N@@H+]2CCO[C@](C)(COC)C2)CCO1 ZINC000626176147 547311192 /nfs/dbraw/zinc/31/11/92/547311192.db2.gz GSLBRNGLWRKTHV-HDICACEKSA-N 1 2 340.464 0.464 20 30 ECEDLO COC[C@@]1(C)CN(CC#CC[N@H+]2CCO[C@](C)(COC)C2)CCO1 ZINC000626176147 547311194 /nfs/dbraw/zinc/31/11/94/547311194.db2.gz GSLBRNGLWRKTHV-HDICACEKSA-N 1 2 340.464 0.464 20 30 ECEDLO C=CCn1c(COCC)nnc1N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000669804216 547936331 /nfs/dbraw/zinc/93/63/31/547936331.db2.gz LNDVOCGLFBBLAR-UHFFFAOYSA-N 1 2 336.440 0.211 20 30 ECEDLO C=C(C)Cn1c(COC)nnc1N1CC[NH+](CC(=O)NCC)CC1 ZINC000670204254 547985575 /nfs/dbraw/zinc/98/55/75/547985575.db2.gz VTGLHBNQJWKDQY-UHFFFAOYSA-N 1 2 336.440 0.259 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCN(c3cncc4nc(C)nn43)CC2)C1=O ZINC000685004940 549645191 /nfs/dbraw/zinc/64/51/91/549645191.db2.gz XGJPVCQERPCLEX-AWEZNQCLSA-N 1 2 341.419 0.342 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCCC[C@@H]2c2noc(C)n2)CC1 ZINC000748814253 579329122 /nfs/dbraw/zinc/32/91/22/579329122.db2.gz XJXSOGAPZAUJLV-OAHLLOKOSA-N 1 2 331.420 0.682 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000751094218 579363289 /nfs/dbraw/zinc/36/32/89/579363289.db2.gz BJLMYHGVUIAXHB-UHFFFAOYSA-N 1 2 347.394 0.788 20 30 ECEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N=NCc3cc[nH]n3)nc2)CC1 ZINC000755550725 579435083 /nfs/dbraw/zinc/43/50/83/579435083.db2.gz ATBXJISNEYUAFO-UHFFFAOYSA-N 1 2 349.420 0.187 20 30 ECEDLO NC(=O)c1ccc(N=NCc2c(-n3cc[nH+]c3)nc3ccccn32)nn1 ZINC000755767474 579438796 /nfs/dbraw/zinc/43/87/96/579438796.db2.gz XAHDRWHKBFWOJA-UHFFFAOYSA-N 1 2 347.342 0.855 20 30 ECEDLO COC(=O)c1coc(C=NNC(=S)NCC[NH+]2CCOCC2)c1 ZINC000758073374 579467281 /nfs/dbraw/zinc/46/72/81/579467281.db2.gz KSXCCQHEZASZFM-UHFFFAOYSA-N 1 2 340.405 0.196 20 30 ECEDLO COc1cc(N2CC[NH+](CC(=O)NCC#N)CC2)cc(OC)c1OC ZINC000759879391 579499836 /nfs/dbraw/zinc/49/98/36/579499836.db2.gz UMVOLIOILYFGKK-UHFFFAOYSA-N 1 2 348.403 0.474 20 30 ECEDLO C#CCN(C(=O)c1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCS(=O)(=O)C1 ZINC000729332698 578295264 /nfs/dbraw/zinc/29/52/64/578295264.db2.gz VEGGGHDUVYUFDG-CQSZACIVSA-N 1 2 344.396 0.530 20 30 ECEDLO O=C(NCCNC(=O)C1N=CC=CC1=O)c1ccc2[nH+]ccn2c1 ZINC000732152687 578320346 /nfs/dbraw/zinc/32/03/46/578320346.db2.gz GQACDLFSHHPONX-JQIJEIRASA-N 1 2 325.328 0.591 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000735427771 578384130 /nfs/dbraw/zinc/38/41/30/578384130.db2.gz FCLIAJNHDVZLTB-ZDUSSCGKSA-N 1 2 341.419 0.679 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(C3CCOCC3)n2C)CC1 ZINC000794672710 578597596 /nfs/dbraw/zinc/59/75/96/578597596.db2.gz CLEQRFGPCZLSMI-UHFFFAOYSA-N 1 2 348.451 0.133 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NCC(=O)OCCCn2cc[nH+]c2)cc1 ZINC000781898330 578716461 /nfs/dbraw/zinc/71/64/61/578716461.db2.gz NSMJENSBOVQWND-UHFFFAOYSA-N 1 2 348.384 0.667 20 30 ECEDLO COc1ccc(N[NH+]=Cc2c(N)n(C)c(=O)n(C)c2=O)cc1Cl ZINC000782232588 578721689 /nfs/dbraw/zinc/72/16/89/578721689.db2.gz VDBYEMVNQADCAL-UHFFFAOYSA-N 1 2 337.767 0.774 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000783001017 578737173 /nfs/dbraw/zinc/73/71/73/578737173.db2.gz YSVXBIBZQMLVQY-OKILXGFUSA-N 1 2 347.481 0.386 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000783001017 578737174 /nfs/dbraw/zinc/73/71/74/578737174.db2.gz YSVXBIBZQMLVQY-OKILXGFUSA-N 1 2 347.481 0.386 20 30 ECEDLO CC(C)(C)OC(=O)CNC(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000784049425 578748789 /nfs/dbraw/zinc/74/87/89/578748789.db2.gz LFLFRJXCPPSVBP-UHFFFAOYSA-N 1 2 325.340 0.921 20 30 ECEDLO N#CC1(COC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000786997935 578798860 /nfs/dbraw/zinc/79/88/60/578798860.db2.gz AFNZTZPGQKYPQY-CQSZACIVSA-N 1 2 335.404 0.547 20 30 ECEDLO Nc1nc(Cl)c(C=[NH+]OC[C@H]2CCOC2)c(N2CCOCC2)n1 ZINC000788032932 578826154 /nfs/dbraw/zinc/82/61/54/578826154.db2.gz YHPUQTNIRKVYBA-JTQLQIEISA-N 1 2 341.799 0.936 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1)[C@@H]1CCCO1 ZINC000793744159 578938416 /nfs/dbraw/zinc/93/84/16/578938416.db2.gz OKDAQHZFQHZSAH-CABCVRRESA-N 1 2 340.383 0.556 20 30 ECEDLO COc1ccc(C(N)=[NH+]OCC(=O)N2CCOC[C@H]2C2CC2)cc1 ZINC000765528235 579068606 /nfs/dbraw/zinc/06/86/06/579068606.db2.gz AJICKYCICCRTCQ-HNNXBMFYSA-N 1 2 333.388 0.970 20 30 ECEDLO C[C@@H]1C[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C[C@@H]1O ZINC000768767726 579131384 /nfs/dbraw/zinc/13/13/84/579131384.db2.gz FSDWDYSJOCYBJL-QKCSRTOESA-N 1 2 326.356 0.824 20 30 ECEDLO C[C@@H]1C[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C[C@@H]1O ZINC000768767726 579131386 /nfs/dbraw/zinc/13/13/86/579131386.db2.gz FSDWDYSJOCYBJL-QKCSRTOESA-N 1 2 326.356 0.824 20 30 ECEDLO CN(CCO)c1ccc(C=[NH+]Nc2nc3c(cnn3C)c(=O)[nH]2)cc1 ZINC000769819952 579152890 /nfs/dbraw/zinc/15/28/90/579152890.db2.gz ZISKJSWLHQNEIF-UHFFFAOYSA-N 1 2 341.375 0.943 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CCCO1 ZINC000773798818 579234420 /nfs/dbraw/zinc/23/44/20/579234420.db2.gz QYWYZAFSXKUOTJ-UONOGXRCSA-N 1 2 339.355 0.503 20 30 ECEDLO C#C[C@@H](NC(=O)C[NH+]1CCN(c2ccccn2)CC1)[C@H]1CCCO1 ZINC000775350272 579265899 /nfs/dbraw/zinc/26/58/99/579265899.db2.gz OLWFTSBUNSSGRV-HZPDHXFCSA-N 1 2 328.416 0.501 20 30 ECEDLO C#C[C@@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1CCCO1 ZINC000775627575 579269100 /nfs/dbraw/zinc/26/91/00/579269100.db2.gz UUOFYGAUCPWOEV-HUUCEWRRSA-N 1 2 347.419 0.518 20 30 ECEDLO C[N@H+](CC(=O)NCc1ccco1)CC(=O)N(CCC#N)CCC#N ZINC000779407669 579315603 /nfs/dbraw/zinc/31/56/03/579315603.db2.gz GUWXXCLIZQWEMB-UHFFFAOYSA-N 1 2 331.376 0.484 20 30 ECEDLO C[N@@H+](CC(=O)NCc1ccco1)CC(=O)N(CCC#N)CCC#N ZINC000779407669 579315604 /nfs/dbraw/zinc/31/56/04/579315604.db2.gz GUWXXCLIZQWEMB-UHFFFAOYSA-N 1 2 331.376 0.484 20 30 ECEDLO C[C@@H](NC(=O)CO[NH+]=C(N)c1ccc(Cl)cc1)C(=O)N(C)C ZINC000762674689 579545682 /nfs/dbraw/zinc/54/56/82/579545682.db2.gz QCSJYBFENAEZEM-SECBINFHSA-N 1 2 326.784 0.570 20 30 ECEDLO O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCCn1cc[nH+]c1 ZINC000763116179 579555684 /nfs/dbraw/zinc/55/56/84/579555684.db2.gz PGQZZOYZDOKJJU-UHFFFAOYSA-N 1 2 334.357 0.165 20 30 ECEDLO C=CC[NH+]1CCC(NC(=O)NCC[NH+]2CCN(C(=O)[O-])CC2)CC1 ZINC000738493270 579633928 /nfs/dbraw/zinc/63/39/28/579633928.db2.gz ZZDDMXPYUFASRI-UHFFFAOYSA-N 1 2 339.440 0.232 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000746468869 579840084 /nfs/dbraw/zinc/84/00/84/579840084.db2.gz QPCRUYANMPQNIN-KKAKJJSRSA-N 1 2 342.509 0.425 20 30 ECEDLO CC[C@H](C)[C@H](NC(=O)C#CC1CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000837412405 588951067 /nfs/dbraw/zinc/95/10/67/588951067.db2.gz ZQFZPKBAEHSTQS-YOEHRIQHSA-N 1 2 335.448 0.379 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2cnn(CC(OCC)OCC)c2)CC1 ZINC000837413745 588951090 /nfs/dbraw/zinc/95/10/90/588951090.db2.gz LZAJLZUJMWTQSP-UHFFFAOYSA-N 1 2 334.420 0.673 20 30 ECEDLO C#Cc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000891314591 586162591 /nfs/dbraw/zinc/16/25/91/586162591.db2.gz VGBKHAJFLORGNC-INIZCTEOSA-N 1 2 341.411 0.787 20 30 ECEDLO C[C@@H](CCC#N)C[NH+]1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 ZINC000895312705 586176050 /nfs/dbraw/zinc/17/60/50/586176050.db2.gz SFIQCGSPRALJFE-LBPRGKRZSA-N 1 2 336.483 0.516 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000891606072 586181602 /nfs/dbraw/zinc/18/16/02/586181602.db2.gz KLEKGGMLYSUVAQ-OAHLLOKOSA-N 1 2 343.383 0.626 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000891606072 586181603 /nfs/dbraw/zinc/18/16/03/586181603.db2.gz KLEKGGMLYSUVAQ-OAHLLOKOSA-N 1 2 343.383 0.626 20 30 ECEDLO C[N@@H+]1CCOC[C@@]1(CO)CNc1cc(C#N)c(Br)cn1 ZINC000895612940 586192472 /nfs/dbraw/zinc/19/24/72/586192472.db2.gz SHUQAZXSVQFXCW-ZDUSSCGKSA-N 1 2 341.209 0.821 20 30 ECEDLO C[N@H+]1CCOC[C@@]1(CO)CNc1cc(C#N)c(Br)cn1 ZINC000895612940 586192474 /nfs/dbraw/zinc/19/24/74/586192474.db2.gz SHUQAZXSVQFXCW-ZDUSSCGKSA-N 1 2 341.209 0.821 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC2(CC1)CC(=O)C=CO2 ZINC000891895680 586204056 /nfs/dbraw/zinc/20/40/56/586204056.db2.gz NFYOXPREGZNKGH-CQSZACIVSA-N 1 2 337.420 0.754 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000896417561 586240084 /nfs/dbraw/zinc/24/00/84/586240084.db2.gz VIUPXOQMKAHMAI-KRWDZBQOSA-N 1 2 341.411 0.331 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896577337 586259288 /nfs/dbraw/zinc/25/92/88/586259288.db2.gz NMAJKIDJZADVQA-ZFWWWQNUSA-N 1 2 346.431 0.696 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896577337 586259289 /nfs/dbraw/zinc/25/92/89/586259289.db2.gz NMAJKIDJZADVQA-ZFWWWQNUSA-N 1 2 346.431 0.696 20 30 ECEDLO C#CCCCS(=O)(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000867442193 586328551 /nfs/dbraw/zinc/32/85/51/586328551.db2.gz XZELFISZAVCREH-AWEZNQCLSA-N 1 2 327.450 0.014 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000893914408 586366902 /nfs/dbraw/zinc/36/69/02/586366902.db2.gz HTQBKCSZYDUYTF-UHFFFAOYSA-N 1 2 329.404 0.688 20 30 ECEDLO C[NH+](C)CCCNC(=O)C[C@H]1S/C(=N/C[C@H]2CCCO2)NC1=O ZINC000899219832 586478079 /nfs/dbraw/zinc/47/80/79/586478079.db2.gz DWZGGOKPMMXBNA-VXGBXAGGSA-N 1 2 342.465 0.211 20 30 ECEDLO C#CCN1C(=O)C[C@@H]([N@H+]2C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C2)C1=O ZINC000899252093 586479253 /nfs/dbraw/zinc/47/92/53/586479253.db2.gz BZHJCBHGTNVXEJ-GRYCIOLGSA-N 1 2 331.338 0.704 20 30 ECEDLO C#CCN1C(=O)C[C@@H]([N@@H+]2C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C2)C1=O ZINC000899252093 586479254 /nfs/dbraw/zinc/47/92/54/586479254.db2.gz BZHJCBHGTNVXEJ-GRYCIOLGSA-N 1 2 331.338 0.704 20 30 ECEDLO C/C(=C/C(=O)NCCNc1ncccc1C#N)C[NH+]1CCOCC1 ZINC000900368029 586627685 /nfs/dbraw/zinc/62/76/85/586627685.db2.gz YYRXAMOZYJPVKH-KAMYIIQDSA-N 1 2 329.404 0.760 20 30 ECEDLO O=C(c1cccc(C#CCO)c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000900868115 586673630 /nfs/dbraw/zinc/67/36/30/586673630.db2.gz XKOYPFRQRHUOPM-GOSISDBHSA-N 1 2 328.412 0.967 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](Cn2nnc(-c3cscn3)n2)CC1 ZINC000902092923 586719722 /nfs/dbraw/zinc/71/97/22/586719722.db2.gz MGJKXRQJDAGNOG-UHFFFAOYSA-N 1 2 331.405 0.216 20 30 ECEDLO C=CCONC(=O)N1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000838708262 586820748 /nfs/dbraw/zinc/82/07/48/586820748.db2.gz PXXQOPCYVGSVMA-CQSZACIVSA-N 1 2 329.360 0.943 20 30 ECEDLO CC(C)N(CC[NH+](C)C)C(=O)NCCNC(O)=C1N=CC=CC1=O ZINC000749194377 586867026 /nfs/dbraw/zinc/86/70/26/586867026.db2.gz SUAPELLPUHJQKA-PFONDFGASA-N 1 2 337.424 0.494 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cn1cnc(-c2ccccc2)cc1=O ZINC000905495897 586898254 /nfs/dbraw/zinc/89/82/54/586898254.db2.gz NVDUKYDEBITCJH-GOSISDBHSA-N 1 2 339.399 0.870 20 30 ECEDLO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ncc(Br)cn1 ZINC000905669492 586908743 /nfs/dbraw/zinc/90/87/43/586908743.db2.gz STCLYMXLCXJPFA-NSHDSACASA-N 1 2 328.214 0.535 20 30 ECEDLO C[N@H+](CCC#N)C[C@@H](O)CNCc1ncc(Br)cn1 ZINC000905669492 586908746 /nfs/dbraw/zinc/90/87/46/586908746.db2.gz STCLYMXLCXJPFA-NSHDSACASA-N 1 2 328.214 0.535 20 30 ECEDLO C[N@@H+](CCC#N)C[C@@H](O)CNCc1ncc(Br)cn1 ZINC000905669492 586908748 /nfs/dbraw/zinc/90/87/48/586908748.db2.gz STCLYMXLCXJPFA-NSHDSACASA-N 1 2 328.214 0.535 20 30 ECEDLO Cc1c(C#N)c(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)nn1C ZINC000905969186 586925102 /nfs/dbraw/zinc/92/51/02/586925102.db2.gz HMMRRPPZJCAOBJ-OCCSQVGLSA-N 1 2 333.392 0.419 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)nc1 ZINC000907418176 587043139 /nfs/dbraw/zinc/04/31/39/587043139.db2.gz IEOCVDUASVAYSL-CHWSQXEVSA-N 1 2 338.458 0.811 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)nc1 ZINC000907418176 587043141 /nfs/dbraw/zinc/04/31/41/587043141.db2.gz IEOCVDUASVAYSL-CHWSQXEVSA-N 1 2 338.458 0.811 20 30 ECEDLO C#CCC[NH+]1CCN(c2ccc(C(C)=O)cc2S(N)(=O)=O)CC1 ZINC000804430785 587085173 /nfs/dbraw/zinc/08/51/73/587085173.db2.gz VMCVMQRLBIOAEF-UHFFFAOYSA-N 1 2 335.429 0.682 20 30 ECEDLO C=CCN1CCN(C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)C1=O ZINC000840077894 587109808 /nfs/dbraw/zinc/10/98/08/587109808.db2.gz JRMXHPJJMZVUMA-CYBMUJFWSA-N 1 2 330.454 0.223 20 30 ECEDLO C=CCN1CCN(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)C1=O ZINC000840077894 587109810 /nfs/dbraw/zinc/10/98/10/587109810.db2.gz JRMXHPJJMZVUMA-CYBMUJFWSA-N 1 2 330.454 0.223 20 30 ECEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000807284835 587124115 /nfs/dbraw/zinc/12/41/15/587124115.db2.gz QLMFWYOEWGACMB-GXTWGEPZSA-N 1 2 342.355 0.880 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)[C@@H]1CCCO1 ZINC000809310820 587174621 /nfs/dbraw/zinc/17/46/21/587174621.db2.gz SCVSUSVJPQZELV-PMPSAXMXSA-N 1 2 343.383 0.358 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1)[C@H]1CCCO1 ZINC000809312013 587174994 /nfs/dbraw/zinc/17/49/94/587174994.db2.gz KLCNGTNRLWBHNF-HUUCEWRRSA-N 1 2 330.388 0.344 20 30 ECEDLO COc1ccc(CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc1C#N ZINC000809502640 587178720 /nfs/dbraw/zinc/17/87/20/587178720.db2.gz MFLPRXLZBLBCDE-UHFFFAOYSA-N 1 2 342.399 0.490 20 30 ECEDLO C#C[C@@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cn1)[C@@H]1CCCO1 ZINC000811185901 587214127 /nfs/dbraw/zinc/21/41/27/587214127.db2.gz WTRHJLLWNXJQDJ-WBVHZDCISA-N 1 2 329.400 0.824 20 30 ECEDLO Cn1cc(C=NNC(=S)NCC[NH+]2CCOCC2)c(C(F)F)n1 ZINC000812222898 587232745 /nfs/dbraw/zinc/23/27/45/587232745.db2.gz TUESIVAIOUBVQU-UHFFFAOYSA-N 1 2 346.407 0.488 20 30 ECEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCCNc1ccc(C#N)cn1 ZINC000840254946 587237564 /nfs/dbraw/zinc/23/75/64/587237564.db2.gz SQKYCRFKTLFVBO-UHFFFAOYSA-N 1 2 346.435 0.775 20 30 ECEDLO C#Cc1cccc(CNC(=O)C(=O)N2CC[NH+](CCOC)CC2)c1 ZINC000817842982 587388885 /nfs/dbraw/zinc/38/88/85/587388885.db2.gz KYWIOCZIOPULMD-UHFFFAOYSA-N 1 2 329.400 0.075 20 30 ECEDLO C#CCC[NH+]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000819698245 587486346 /nfs/dbraw/zinc/48/63/46/587486346.db2.gz VQXZRSXVOPUFRQ-UHFFFAOYSA-N 1 2 328.336 0.315 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCc3cccnc32)CC1 ZINC000819875377 587494348 /nfs/dbraw/zinc/49/43/48/587494348.db2.gz DXNQRERFVXLXMJ-MRXNPFEDSA-N 1 2 340.427 0.395 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCc3cccnc32)CC1 ZINC000819875377 587494350 /nfs/dbraw/zinc/49/43/50/587494350.db2.gz DXNQRERFVXLXMJ-MRXNPFEDSA-N 1 2 340.427 0.395 20 30 ECEDLO C#C[C@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000820600275 587543585 /nfs/dbraw/zinc/54/35/85/587543585.db2.gz VNVIPPRGGYJJHY-IRXDYDNUSA-N 1 2 331.416 0.695 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]([C@H](C)NC(=O)[O-])C2)CC1 ZINC000823455279 587721356 /nfs/dbraw/zinc/72/13/56/587721356.db2.gz BORKCBHXDGLCKI-GJZGRUSLSA-N 1 2 336.436 0.132 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@H](C)NC(=O)[O-])C2)CC1 ZINC000823455279 587721357 /nfs/dbraw/zinc/72/13/57/587721357.db2.gz BORKCBHXDGLCKI-GJZGRUSLSA-N 1 2 336.436 0.132 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(CN(C)C(=O)[O-])CC2)CC1 ZINC000823455409 587721395 /nfs/dbraw/zinc/72/13/95/587721395.db2.gz CCTBGEOEOWUEKX-UHFFFAOYSA-N 1 2 336.436 0.086 20 30 ECEDLO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(CCC#N)CC1 ZINC000826169054 588004443 /nfs/dbraw/zinc/00/44/43/588004443.db2.gz GWPJPAMXNXTCJY-UHFFFAOYSA-N 1 2 327.392 0.907 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2nccc3occc32)CC1 ZINC000826549800 588069194 /nfs/dbraw/zinc/06/91/94/588069194.db2.gz NFAPXJQYYAZNEH-UHFFFAOYSA-N 1 2 340.383 0.725 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2nccc3occc32)CC1 ZINC000826549800 588069196 /nfs/dbraw/zinc/06/91/96/588069196.db2.gz NFAPXJQYYAZNEH-UHFFFAOYSA-N 1 2 340.383 0.725 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)Cc2ccco2)CC1 ZINC000826551273 588069535 /nfs/dbraw/zinc/06/95/35/588069535.db2.gz ZKXZHGVPSRIWOE-HNNXBMFYSA-N 1 2 331.416 0.742 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)Cc2ccco2)CC1 ZINC000826551273 588069537 /nfs/dbraw/zinc/06/95/37/588069537.db2.gz ZKXZHGVPSRIWOE-HNNXBMFYSA-N 1 2 331.416 0.742 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2cnccc2C)CC1 ZINC000826556474 588069928 /nfs/dbraw/zinc/06/99/28/588069928.db2.gz ZRUNRGBAPREGLO-UHFFFAOYSA-N 1 2 328.416 0.216 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2cnccc2C)CC1 ZINC000826556474 588069930 /nfs/dbraw/zinc/06/99/30/588069930.db2.gz ZRUNRGBAPREGLO-UHFFFAOYSA-N 1 2 328.416 0.216 20 30 ECEDLO N#Cc1cc(F)cc(S(=O)(=O)N2CC[NH+](CCCO)CC2)c1 ZINC000867056576 588192082 /nfs/dbraw/zinc/19/20/82/588192082.db2.gz UHSJZGPDCPZYEW-UHFFFAOYSA-N 1 2 327.381 0.386 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3cc[nH]n3)n2CCCOCC)CC1 ZINC000829270529 588320754 /nfs/dbraw/zinc/32/07/54/588320754.db2.gz FIOWFECWTUOXHN-UHFFFAOYSA-N 1 2 343.435 0.850 20 30 ECEDLO C=C[C@H](C)ONC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000846544838 589211212 /nfs/dbraw/zinc/21/12/12/589211212.db2.gz KJHDSDAXBSNRJO-KBPBESRZSA-N 1 2 325.409 0.322 20 30 ECEDLO C=CCOCCCNC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000850661647 589376880 /nfs/dbraw/zinc/37/68/80/589376880.db2.gz BDYYAEPNFAVOMR-AWEZNQCLSA-N 1 2 334.420 0.835 20 30 ECEDLO C#CCOCCn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000853017497 589529492 /nfs/dbraw/zinc/52/94/92/589529492.db2.gz JJSDNCPPZGSIOX-INIZCTEOSA-N 1 2 327.388 0.896 20 30 ECEDLO C#CCOCCn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000853017497 589529493 /nfs/dbraw/zinc/52/94/93/589529493.db2.gz JJSDNCPPZGSIOX-INIZCTEOSA-N 1 2 327.388 0.896 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1O ZINC000854452973 589586879 /nfs/dbraw/zinc/58/68/79/589586879.db2.gz BFJCAFCGIFIMOA-MCIONIFRSA-N 1 2 344.415 0.964 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1O ZINC000854452973 589586881 /nfs/dbraw/zinc/58/68/81/589586881.db2.gz BFJCAFCGIFIMOA-MCIONIFRSA-N 1 2 344.415 0.964 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[C@@H](NC(N)=O)c2cccc(C)c2)CC1 ZINC000112920177 589616951 /nfs/dbraw/zinc/61/69/51/589616951.db2.gz XGJYZFFXYKCBQD-MRXNPFEDSA-N 1 2 328.416 0.872 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000112921188 589617762 /nfs/dbraw/zinc/61/77/62/589617762.db2.gz FBXRVXIDNUESSJ-UHFFFAOYSA-N 1 2 347.440 0.518 20 30 ECEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000855492065 589633789 /nfs/dbraw/zinc/63/37/89/589633789.db2.gz UYSYGPFIXYNKSS-UHFFFAOYSA-N 1 2 339.436 0.246 20 30 ECEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000855492065 589633791 /nfs/dbraw/zinc/63/37/91/589633791.db2.gz UYSYGPFIXYNKSS-UHFFFAOYSA-N 1 2 339.436 0.246 20 30 ECEDLO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1 ZINC000857891215 589715583 /nfs/dbraw/zinc/71/55/83/589715583.db2.gz RHYPBDKCIWJXHP-ZDUSSCGKSA-N 1 2 344.396 0.149 20 30 ECEDLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000866764955 589771374 /nfs/dbraw/zinc/77/13/74/589771374.db2.gz YMVPNXIPRPNMLI-CQSZACIVSA-N 1 2 349.391 0.766 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000860655957 589790455 /nfs/dbraw/zinc/79/04/55/589790455.db2.gz BTRWYDMFHJWPNA-AWEZNQCLSA-N 1 2 335.408 0.375 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@]1(C#N)CCCOC1 ZINC000869400166 589963359 /nfs/dbraw/zinc/96/33/59/589963359.db2.gz AKBYDPLYXBQHKD-RDJZCZTQSA-N 1 2 337.420 0.039 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@]1(C#N)CCCOC1 ZINC000869400166 589963362 /nfs/dbraw/zinc/96/33/62/589963362.db2.gz AKBYDPLYXBQHKD-RDJZCZTQSA-N 1 2 337.420 0.039 20 30 ECEDLO N#CCc1ccccc1CC(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870062695 589993923 /nfs/dbraw/zinc/99/39/23/589993923.db2.gz CUMIESBIENLHJO-GOSISDBHSA-N 1 2 343.427 0.855 20 30 ECEDLO N#CCc1cccc(C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000870070677 589996951 /nfs/dbraw/zinc/99/69/51/589996951.db2.gz ZKOFLVCXPGFXGB-QGZVFWFLSA-N 1 2 329.400 0.926 20 30 ECEDLO COc1cccc([C@H]2CN(C(=O)Cn3cnc(C#N)n3)CC[NH2+]2)c1 ZINC000870150195 590003989 /nfs/dbraw/zinc/00/39/89/590003989.db2.gz JWSKXUOJHCLHMV-CQSZACIVSA-N 1 2 326.360 0.331 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)nn1 ZINC000864650282 590090967 /nfs/dbraw/zinc/09/09/67/590090967.db2.gz UAUQUUHHSAFBSU-QGZVFWFLSA-N 1 2 349.435 0.763 20 30 ECEDLO N#C[C@]1(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CCCOC1 ZINC000864664298 590091793 /nfs/dbraw/zinc/09/17/93/590091793.db2.gz PMHADAJUYFCVEC-QGZVFWFLSA-N 1 2 330.388 0.855 20 30 ECEDLO C#Cc1cccc(NC(=O)CN(C)C(=O)/C=C/C[NH+]2CCOCC2)c1 ZINC000864936861 590117302 /nfs/dbraw/zinc/11/73/02/590117302.db2.gz VNGVEWPMEQWZDQ-VMPITWQZSA-N 1 2 341.411 0.953 20 30 ECEDLO Cc1cccc(C#N)c1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000872476398 590120127 /nfs/dbraw/zinc/12/01/27/590120127.db2.gz WIIMPMKEMXBTOP-UONOGXRCSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cccc(C#N)c1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000872476398 590120129 /nfs/dbraw/zinc/12/01/29/590120129.db2.gz WIIMPMKEMXBTOP-UONOGXRCSA-N 1 2 337.445 0.942 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2coc(SC)c2)CC1 ZINC000865178232 590130105 /nfs/dbraw/zinc/13/01/05/590130105.db2.gz VSPKPKZCSCEITA-UHFFFAOYSA-N 1 2 335.429 0.899 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2coc(SC)c2)CC1 ZINC000865178232 590130107 /nfs/dbraw/zinc/13/01/07/590130107.db2.gz VSPKPKZCSCEITA-UHFFFAOYSA-N 1 2 335.429 0.899 20 30 ECEDLO C#CCCCCCN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000865359989 590141116 /nfs/dbraw/zinc/14/11/16/590141116.db2.gz JKMMRPYMTDGSML-UHFFFAOYSA-N 1 2 335.404 0.693 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000865536858 590148964 /nfs/dbraw/zinc/14/89/64/590148964.db2.gz NGYKTPHGSOKIHX-UHFFFAOYSA-N 1 2 335.339 0.390 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000865536858 590148965 /nfs/dbraw/zinc/14/89/65/590148965.db2.gz NGYKTPHGSOKIHX-UHFFFAOYSA-N 1 2 335.339 0.390 20 30 ECEDLO Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000873751576 590200044 /nfs/dbraw/zinc/20/00/44/590200044.db2.gz TZFIHXQNWHVHJC-GFCCVEGCSA-N 1 2 348.378 0.469 20 30 ECEDLO C=CCSCCNC(=O)C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000875132107 590274342 /nfs/dbraw/zinc/27/43/42/590274342.db2.gz MAFDPZWISMRYPD-UHFFFAOYSA-N 1 2 334.445 0.895 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000875171266 590278034 /nfs/dbraw/zinc/27/80/34/590278034.db2.gz CYDKBPQAGOTYLH-SNVBAGLBSA-N 1 2 346.309 0.216 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@]2(CC(C(=O)OC)=NO2)C1 ZINC000879484270 590315171 /nfs/dbraw/zinc/31/51/71/590315171.db2.gz USXYXCISPIAISI-LRDDRELGSA-N 1 2 336.392 0.388 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@]2(CC(C(=O)OC)=NO2)C1 ZINC000879484270 590315174 /nfs/dbraw/zinc/31/51/74/590315174.db2.gz USXYXCISPIAISI-LRDDRELGSA-N 1 2 336.392 0.388 20 30 ECEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879611029 590328738 /nfs/dbraw/zinc/32/87/38/590328738.db2.gz OBFIDUNSBVNLQA-WQAKAFBOSA-N 1 2 335.429 0.863 20 30 ECEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879611029 590328741 /nfs/dbraw/zinc/32/87/41/590328741.db2.gz OBFIDUNSBVNLQA-WQAKAFBOSA-N 1 2 335.429 0.863 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879761987 590342338 /nfs/dbraw/zinc/34/23/38/590342338.db2.gz AYPLOHCUTXMNHB-LBPRGKRZSA-N 1 2 336.314 0.141 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879761987 590342341 /nfs/dbraw/zinc/34/23/41/590342341.db2.gz AYPLOHCUTXMNHB-LBPRGKRZSA-N 1 2 336.314 0.141 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879932766 590351797 /nfs/dbraw/zinc/35/17/97/590351797.db2.gz MOUXEFGORQRTOU-MGPQQGTHSA-N 1 2 327.450 0.361 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879932766 590351800 /nfs/dbraw/zinc/35/18/00/590351800.db2.gz MOUXEFGORQRTOU-MGPQQGTHSA-N 1 2 327.450 0.361 20 30 ECEDLO C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000876555718 590386694 /nfs/dbraw/zinc/38/66/94/590386694.db2.gz DRRFVWXFKDHFGJ-GFCCVEGCSA-N 1 2 330.388 0.361 20 30 ECEDLO C=CCN1CC[C@@H](N(C)C(=O)Nc2cc3n(n2)CC[N@H+](C)C3)C1=O ZINC000880818550 590421469 /nfs/dbraw/zinc/42/14/69/590421469.db2.gz AJKFVKDETMFKRO-CYBMUJFWSA-N 1 2 332.408 0.579 20 30 ECEDLO C=CCN1CC[C@@H](N(C)C(=O)Nc2cc3n(n2)CC[N@@H+](C)C3)C1=O ZINC000880818550 590421472 /nfs/dbraw/zinc/42/14/72/590421472.db2.gz AJKFVKDETMFKRO-CYBMUJFWSA-N 1 2 332.408 0.579 20 30 ECEDLO C=C[C@](C)(O)c1cn(CC(=O)N2CC[NH+](Cc3ccco3)CC2)nn1 ZINC000881287882 590445469 /nfs/dbraw/zinc/44/54/69/590445469.db2.gz YVMIGNSMLWCSGK-KRWDZBQOSA-N 1 2 345.403 0.609 20 30 ECEDLO NC(=NOCC(=O)N1CCCC1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000129172041 590465092 /nfs/dbraw/zinc/46/50/92/590465092.db2.gz FXCQZWBNGOXQKL-UHFFFAOYSA-N 1 2 346.431 0.778 20 30 ECEDLO CNC(=O)NC[C@H]1C[N@H+](Cc2cc(C#N)ccc2N(C)C)CCO1 ZINC000877650632 590475809 /nfs/dbraw/zinc/47/58/09/590475809.db2.gz NMTHNLSJXXUVNH-HNNXBMFYSA-N 1 2 331.420 0.754 20 30 ECEDLO CNC(=O)NC[C@H]1C[N@@H+](Cc2cc(C#N)ccc2N(C)C)CCO1 ZINC000877650632 590475810 /nfs/dbraw/zinc/47/58/10/590475810.db2.gz NMTHNLSJXXUVNH-HNNXBMFYSA-N 1 2 331.420 0.754 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@H](O)CC1(O)CCCC1 ZINC000878159291 590502434 /nfs/dbraw/zinc/50/24/34/590502434.db2.gz HKEAXROWEYOJFN-MRXNPFEDSA-N 1 2 325.453 0.590 20 30 ECEDLO N#CCC[N@H+](CCN1CCOCC1)C[C@H](O)CC1(O)CCCC1 ZINC000878159291 590502436 /nfs/dbraw/zinc/50/24/36/590502436.db2.gz HKEAXROWEYOJFN-MRXNPFEDSA-N 1 2 325.453 0.590 20 30 ECEDLO N#CCC[N@@H+](CCN1CCOCC1)C[C@H](O)CC1(O)CCCC1 ZINC000878159291 590502439 /nfs/dbraw/zinc/50/24/39/590502439.db2.gz HKEAXROWEYOJFN-MRXNPFEDSA-N 1 2 325.453 0.590 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@@H](O)CC1(O)CCCC1 ZINC000878159290 590502473 /nfs/dbraw/zinc/50/24/73/590502473.db2.gz HKEAXROWEYOJFN-INIZCTEOSA-N 1 2 325.453 0.590 20 30 ECEDLO N#CCC[N@H+](CCN1CCOCC1)C[C@@H](O)CC1(O)CCCC1 ZINC000878159290 590502475 /nfs/dbraw/zinc/50/24/75/590502475.db2.gz HKEAXROWEYOJFN-INIZCTEOSA-N 1 2 325.453 0.590 20 30 ECEDLO N#CCC[N@@H+](CCN1CCOCC1)C[C@@H](O)CC1(O)CCCC1 ZINC000878159290 590502476 /nfs/dbraw/zinc/50/24/76/590502476.db2.gz HKEAXROWEYOJFN-INIZCTEOSA-N 1 2 325.453 0.590 20 30 ECEDLO CNC(=O)[C@@H]1C[N@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)CCO1 ZINC000878397273 590519815 /nfs/dbraw/zinc/51/98/15/590519815.db2.gz TXLZAJLAFOOKPP-FUHWJXTLSA-N 1 2 329.400 0.874 20 30 ECEDLO CNC(=O)[C@@H]1C[N@@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)CCO1 ZINC000878397273 590519819 /nfs/dbraw/zinc/51/98/19/590519819.db2.gz TXLZAJLAFOOKPP-FUHWJXTLSA-N 1 2 329.400 0.874 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CC2(C(=O)OC)CCC2)C1 ZINC000885508935 590729197 /nfs/dbraw/zinc/72/91/97/590729197.db2.gz NTBFXIPCJMBPRR-CYBMUJFWSA-N 1 2 328.434 0.347 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CC2(C(=O)OC)CCC2)C1 ZINC000885508935 590729200 /nfs/dbraw/zinc/72/92/00/590729200.db2.gz NTBFXIPCJMBPRR-CYBMUJFWSA-N 1 2 328.434 0.347 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000885511623 590729913 /nfs/dbraw/zinc/72/99/13/590729913.db2.gz LEWUNRXGMYJGSP-ZDUSSCGKSA-N 1 2 346.416 0.038 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000885511623 590729915 /nfs/dbraw/zinc/72/99/15/590729915.db2.gz LEWUNRXGMYJGSP-ZDUSSCGKSA-N 1 2 346.416 0.038 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C1 ZINC000885511876 590730103 /nfs/dbraw/zinc/73/01/03/590730103.db2.gz NMQKXNOANVQDOB-CQSZACIVSA-N 1 2 347.440 0.348 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C1 ZINC000885511876 590730107 /nfs/dbraw/zinc/73/01/07/590730107.db2.gz NMQKXNOANVQDOB-CQSZACIVSA-N 1 2 347.440 0.348 20 30 ECEDLO NC(C[NH+]1CCSCC1)=NOCC(=O)NCc1ccc(F)cc1 ZINC000136078135 590742942 /nfs/dbraw/zinc/74/29/42/590742942.db2.gz PBSROJLWDXYEFZ-UHFFFAOYSA-N 1 2 340.424 0.780 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000886091950 590793514 /nfs/dbraw/zinc/79/35/14/590793514.db2.gz KQGDBODHJKQOAE-CABCVRRESA-N 1 2 327.450 0.029 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC000886091952 590794508 /nfs/dbraw/zinc/79/45/08/590794508.db2.gz KQGDBODHJKQOAE-HUUCEWRRSA-N 1 2 327.450 0.029 20 30 ECEDLO N#C[C@]12CN(C(=O)c3ccc4[nH+]ccn4c3)C[C@@H]1CS(=O)(=O)C2 ZINC000886203981 590811851 /nfs/dbraw/zinc/81/18/51/590811851.db2.gz MZTWCKBOBQJEJU-IUODEOHRSA-N 1 2 330.369 0.345 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CCCS(=O)(=O)C2)C1 ZINC000884349654 590812207 /nfs/dbraw/zinc/81/22/07/590812207.db2.gz BGHIJUMPZGFVRY-KGLIPLIRSA-N 1 2 327.450 0.208 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCCS(=O)(=O)C2)C1 ZINC000884349654 590812211 /nfs/dbraw/zinc/81/22/11/590812211.db2.gz BGHIJUMPZGFVRY-KGLIPLIRSA-N 1 2 327.450 0.208 20 30 ECEDLO C[NH+](C)[C@H](C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccccc1 ZINC000886204170 590812688 /nfs/dbraw/zinc/81/26/88/590812688.db2.gz UHRBIRLOSDIKPY-HLLBOEOZSA-N 1 2 347.440 0.686 20 30 ECEDLO CCn1c[nH+]c2c1CCN(C(=O)C(=NOC)c1csc(N)n1)C2 ZINC000886609737 590865291 /nfs/dbraw/zinc/86/52/91/590865291.db2.gz AKZVWAVICXUNJN-UHFFFAOYSA-N 1 2 334.405 0.877 20 30 ECEDLO C=C[C@@H](O)C(=O)N[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2cc[nH+]c21 ZINC000887299767 590958198 /nfs/dbraw/zinc/95/81/98/590958198.db2.gz HJHBPFZIZFJIOV-NWDGAFQWSA-N 1 2 348.403 0.937 20 30 ECEDLO C#CCOCCC(=O)N1CCN(c2nc(N)[nH+]c(C3CC3)n2)CC1 ZINC000887620639 590981556 /nfs/dbraw/zinc/98/15/56/590981556.db2.gz KKBDAUIDZWUSSP-UHFFFAOYSA-N 1 2 330.392 0.020 20 30 ECEDLO C#CCOCCC(=O)N1CCN(c2nc(N)nc(C3CC3)[nH+]2)CC1 ZINC000887620639 590981560 /nfs/dbraw/zinc/98/15/60/590981560.db2.gz KKBDAUIDZWUSSP-UHFFFAOYSA-N 1 2 330.392 0.020 20 30 ECEDLO Cc1ccc(CNC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1C#N ZINC000930523013 611439717 /nfs/dbraw/zinc/43/97/17/611439717.db2.gz SVWFNLKRCIZQHU-HNNXBMFYSA-N 1 2 337.383 0.811 20 30 ECEDLO CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000937354486 608611821 /nfs/dbraw/zinc/61/18/21/608611821.db2.gz ZYCFVSVUBGUOCN-CVEARBPZSA-N 1 2 340.427 0.918 20 30 ECEDLO N#C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCN1C1CC1 ZINC000932603435 611642449 /nfs/dbraw/zinc/64/24/49/611642449.db2.gz VMKOCVDBMYYYEO-BBWFWOEESA-N 1 2 348.447 0.065 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)CN3CCCCCC3=O)CC2)C1 ZINC000949523193 608737249 /nfs/dbraw/zinc/73/72/49/608737249.db2.gz GXGYMERGYSYHDA-UHFFFAOYSA-N 1 2 347.459 0.716 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)CN3CCCCCC3=O)CC2)C1 ZINC000949523193 608737250 /nfs/dbraw/zinc/73/72/50/608737250.db2.gz GXGYMERGYSYHDA-UHFFFAOYSA-N 1 2 347.459 0.716 20 30 ECEDLO O=C(NCC#CCO)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000923780018 608935396 /nfs/dbraw/zinc/93/53/96/608935396.db2.gz ATQSLDILQPTZEZ-QGZVFWFLSA-N 1 2 331.416 0.225 20 30 ECEDLO CC(C)(C(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1)c1c[nH+]c[nH]1 ZINC000937844181 609110701 /nfs/dbraw/zinc/11/07/01/609110701.db2.gz HBIOXYYSPZMHML-LBPRGKRZSA-N 1 2 340.387 0.918 20 30 ECEDLO CN1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC[N@H+](C)CC1 ZINC000907789097 609622124 /nfs/dbraw/zinc/62/21/24/609622124.db2.gz FXXUWWCPYSYIPL-UHFFFAOYSA-N 1 2 340.424 0.565 20 30 ECEDLO CN1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC[N@@H+](C)CC1 ZINC000907789097 609622126 /nfs/dbraw/zinc/62/21/26/609622126.db2.gz FXXUWWCPYSYIPL-UHFFFAOYSA-N 1 2 340.424 0.565 20 30 ECEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)C[C@@H]3CCNC3=O)CC2)c1 ZINC000948730920 611705040 /nfs/dbraw/zinc/70/50/40/611705040.db2.gz WOJHLQXBYZNQPT-INIZCTEOSA-N 1 2 326.400 0.729 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)s1)[C@@H]1C[N@H+](C)CCN1C ZINC000919988647 609669355 /nfs/dbraw/zinc/66/93/55/609669355.db2.gz HANXQGQWOLOSGG-PWSUYJOCSA-N 1 2 328.463 0.532 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)s1)[C@@H]1C[N@@H+](C)CCN1C ZINC000919988647 609669356 /nfs/dbraw/zinc/66/93/56/609669356.db2.gz HANXQGQWOLOSGG-PWSUYJOCSA-N 1 2 328.463 0.532 20 30 ECEDLO C#CCN(CC(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1)C(=O)OC(C)(C)C ZINC000913455658 609673240 /nfs/dbraw/zinc/67/32/40/609673240.db2.gz IHEYFXMQXMTCBS-CQSZACIVSA-N 1 2 347.419 0.753 20 30 ECEDLO C#CC[C@H](NC(=O)c1cccn1CC[NH+]1CCOCC1)C(=O)OC ZINC000909889123 609699614 /nfs/dbraw/zinc/69/96/14/609699614.db2.gz HRSGCTVWEWRYKT-AWEZNQCLSA-N 1 2 333.388 0.115 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cn1 ZINC000921323471 609706915 /nfs/dbraw/zinc/70/69/15/609706915.db2.gz IKVBVXAAWMVIRA-KGLIPLIRSA-N 1 2 338.458 0.811 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)cn1 ZINC000921323471 609706916 /nfs/dbraw/zinc/70/69/16/609706916.db2.gz IKVBVXAAWMVIRA-KGLIPLIRSA-N 1 2 338.458 0.811 20 30 ECEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2c[nH]c(C(=O)OC)c2)CC1 ZINC000921438746 609716686 /nfs/dbraw/zinc/71/66/86/609716686.db2.gz IQSXSLYAZWEEIK-UHFFFAOYSA-N 1 2 325.390 0.177 20 30 ECEDLO C=CCc1ccc(OCC(=O)N2CC[N@H+](C)[C@H](CO)C2)c(OC)c1 ZINC000913554992 609731962 /nfs/dbraw/zinc/73/19/62/609731962.db2.gz RKFLLESYSFBTJJ-HNNXBMFYSA-N 1 2 334.416 0.937 20 30 ECEDLO C=CCc1ccc(OCC(=O)N2CC[N@@H+](C)[C@H](CO)C2)c(OC)c1 ZINC000913554992 609731963 /nfs/dbraw/zinc/73/19/63/609731963.db2.gz RKFLLESYSFBTJJ-HNNXBMFYSA-N 1 2 334.416 0.937 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2csc(C#N)c2)C[C@H]1C ZINC000914191687 609864088 /nfs/dbraw/zinc/86/40/88/609864088.db2.gz CKVNHOBHSBUXQF-NEPJUHHUSA-N 1 2 343.474 0.836 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2csc(C#N)c2)C[C@H]1C ZINC000914191687 609864089 /nfs/dbraw/zinc/86/40/89/609864089.db2.gz CKVNHOBHSBUXQF-NEPJUHHUSA-N 1 2 343.474 0.836 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)c1 ZINC000938705568 609953816 /nfs/dbraw/zinc/95/38/16/609953816.db2.gz UGNPDBFUKGEILE-INIZCTEOSA-N 1 2 337.383 0.750 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)c1 ZINC000938705568 609953817 /nfs/dbraw/zinc/95/38/17/609953817.db2.gz UGNPDBFUKGEILE-INIZCTEOSA-N 1 2 337.383 0.750 20 30 ECEDLO C#CCN(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(C)C ZINC000917783509 609983833 /nfs/dbraw/zinc/98/38/33/609983833.db2.gz FEZNFBBOSHMGDB-UHFFFAOYSA-N 1 2 329.466 0.549 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000938861553 610001351 /nfs/dbraw/zinc/00/13/51/610001351.db2.gz RTOBJGPKSGCSQL-MJBXVCDLSA-N 1 2 346.431 0.996 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000939929194 610172881 /nfs/dbraw/zinc/17/28/81/610172881.db2.gz GMLGBRBYQMEKOW-CYBMUJFWSA-N 1 2 340.387 0.583 20 30 ECEDLO NC(=NOCC(=O)N1CCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181846287 610182804 /nfs/dbraw/zinc/18/28/04/610182804.db2.gz CFYGTIHFKBXJSC-MRXNPFEDSA-N 1 2 346.431 0.799 20 30 ECEDLO NC(=NOCC(=O)N1CCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181846287 610182805 /nfs/dbraw/zinc/18/28/05/610182805.db2.gz CFYGTIHFKBXJSC-MRXNPFEDSA-N 1 2 346.431 0.799 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N(C)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC000939408831 610193309 /nfs/dbraw/zinc/19/33/09/610193309.db2.gz BXEJBIRBEYFIRQ-GXTWGEPZSA-N 1 2 330.388 0.852 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(C)nnc3CC)CC2)C1 ZINC000941463477 610321708 /nfs/dbraw/zinc/32/17/08/610321708.db2.gz YBJOQOIMBBFMLE-UHFFFAOYSA-N 1 2 327.432 0.423 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)nc1 ZINC000940704923 610337965 /nfs/dbraw/zinc/33/79/65/610337965.db2.gz GJOZJJCZPJDMIY-MLGOLLRUSA-N 1 2 337.383 0.605 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3sc(C)nc3C)CC2)C1 ZINC000941492017 610340711 /nfs/dbraw/zinc/34/07/11/610340711.db2.gz SBKAOHZXTGKHHK-UHFFFAOYSA-N 1 2 332.473 0.764 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(F)ccc3OC)CC2)C1 ZINC000941509419 610349991 /nfs/dbraw/zinc/34/99/91/610349991.db2.gz IVPNHLAWCIRCIU-UHFFFAOYSA-N 1 2 331.391 0.910 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ncccc3OCCC)CC2)C1 ZINC000941544853 610369670 /nfs/dbraw/zinc/36/96/70/610369670.db2.gz BYMHAWTZKIBRIS-UHFFFAOYSA-N 1 2 342.443 0.946 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC34CC(OCC)C4)CC2)C1 ZINC000941564171 610384503 /nfs/dbraw/zinc/38/45/03/610384503.db2.gz ATIUGKBIHRITKK-HFCFLWKCSA-N 1 2 331.460 0.653 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)Cc3c(C)noc3C)CC2)C1 ZINC000941595215 610390144 /nfs/dbraw/zinc/39/01/44/610390144.db2.gz GMQHQQRQUCGOIE-CQSZACIVSA-N 1 2 344.459 0.932 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3ccccc3COC)CC2)C1 ZINC000941603568 610403194 /nfs/dbraw/zinc/40/31/94/610403194.db2.gz JSZYALLQWSVKFA-UHFFFAOYSA-N 1 2 341.455 0.837 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(-n4cccc4)nc3)CC2)C1 ZINC000941609730 610406981 /nfs/dbraw/zinc/40/69/81/610406981.db2.gz RYLOXTBEKZKSGG-UHFFFAOYSA-N 1 2 349.438 0.948 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(-n4cccc4)ccn3)CC2)C1 ZINC000941632778 610419268 /nfs/dbraw/zinc/41/92/68/610419268.db2.gz QYZBPUGHLREMIG-UHFFFAOYSA-N 1 2 349.438 0.948 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)COc3cc(F)cc(F)c3)CC2)C1 ZINC000941679237 610452138 /nfs/dbraw/zinc/45/21/38/610452138.db2.gz WFMLTJZPQIJIAI-UHFFFAOYSA-N 1 2 349.381 0.805 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000942448040 610454722 /nfs/dbraw/zinc/45/47/22/610454722.db2.gz TXKWLYFXYGOZNA-MCIONIFRSA-N 1 2 332.404 0.651 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3n[nH]c4c3CCCCC4)CC2)C1 ZINC000941668213 610458724 /nfs/dbraw/zinc/45/87/24/610458724.db2.gz HFTIFGDUCNZIMO-UHFFFAOYSA-N 1 2 341.459 0.754 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccc4nnn(C)c43)CC2)C1 ZINC000941693607 610467329 /nfs/dbraw/zinc/46/73/29/610467329.db2.gz XKEQYZBVUGNUMD-UHFFFAOYSA-N 1 2 338.415 0.044 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(CC)CC2)C[C@H]1OC ZINC000942516587 610496046 /nfs/dbraw/zinc/49/60/46/610496046.db2.gz KTNPULGAFOVOPY-OWCLPIDISA-N 1 2 347.459 0.616 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(CC)CC2)C[C@H]1OC ZINC000942516587 610496049 /nfs/dbraw/zinc/49/60/49/610496049.db2.gz KTNPULGAFOVOPY-OWCLPIDISA-N 1 2 347.459 0.616 20 30 ECEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000942745326 610596237 /nfs/dbraw/zinc/59/62/37/610596237.db2.gz VCWVITBHLIXHRU-ZDUSSCGKSA-N 1 2 340.387 0.915 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc(C)[nH]n2)C1 ZINC000941237821 610621499 /nfs/dbraw/zinc/62/14/99/610621499.db2.gz KNRHKBSANGWXPM-HIFRSBDPSA-N 1 2 329.404 0.146 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc(C)[nH]n2)C1 ZINC000941237821 610621502 /nfs/dbraw/zinc/62/15/02/610621502.db2.gz KNRHKBSANGWXPM-HIFRSBDPSA-N 1 2 329.404 0.146 20 30 ECEDLO CO[C@@H](C)C(=O)N1CCN(C2C[NH+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000941332935 610669732 /nfs/dbraw/zinc/66/97/32/610669732.db2.gz QAWXKQGOYVRRRN-HNNXBMFYSA-N 1 2 342.443 0.922 20 30 ECEDLO N#Cc1cc(C(=O)N[C@H]2CCCCN(C(=O)Cc3[nH]cc[nH+]3)C2)c[nH]1 ZINC000943199275 610744646 /nfs/dbraw/zinc/74/46/46/610744646.db2.gz MAWAQTPFGOBLJS-ZDUSSCGKSA-N 1 2 340.387 0.963 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nncn3C)C[C@H]2C)cn1 ZINC000944213848 610786069 /nfs/dbraw/zinc/78/60/69/610786069.db2.gz GSVLFQQDKKUEGO-CZUORRHYSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3nncn3C)C[C@H]2C)cn1 ZINC000944213848 610786070 /nfs/dbraw/zinc/78/60/70/610786070.db2.gz GSVLFQQDKKUEGO-CZUORRHYSA-N 1 2 338.415 0.832 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CCCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000943479061 610867124 /nfs/dbraw/zinc/86/71/24/610867124.db2.gz VSXAEPHOPZTWEI-CYBMUJFWSA-N 1 2 340.387 0.963 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC000946067911 611221342 /nfs/dbraw/zinc/22/13/42/611221342.db2.gz VYBCTDOWONQPQM-GOEBONIOSA-N 1 2 326.400 0.815 20 30 ECEDLO N#CC[C@@H](O)C[NH+]1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000929866377 611802006 /nfs/dbraw/zinc/80/20/06/611802006.db2.gz YKJFOOBORWKGIQ-CYBMUJFWSA-N 1 2 327.388 0.728 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCOC2(CC[NH+](Cc3ncccn3)CC2)C1 ZINC000949052168 611829855 /nfs/dbraw/zinc/82/98/55/611829855.db2.gz YBRPNFGONCZEOB-AWEZNQCLSA-N 1 2 329.404 0.830 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000950745905 611881831 /nfs/dbraw/zinc/88/18/31/611881831.db2.gz AWGXNHNYVWHKSD-GJZGRUSLSA-N 1 2 326.400 0.576 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000950746168 611882303 /nfs/dbraw/zinc/88/23/03/611882303.db2.gz FKXRVLDAMVEMOI-HOCLYGCPSA-N 1 2 326.400 0.576 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CCN2C(=O)Cc2[nH]cc[nH+]2)nn1 ZINC000950195202 611901107 /nfs/dbraw/zinc/90/11/07/611901107.db2.gz WMKHNTMPLCDJIS-LBPRGKRZSA-N 1 2 343.391 0.151 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)nc1 ZINC000950776956 611904758 /nfs/dbraw/zinc/90/47/58/611904758.db2.gz KVEUYSZXECHJIH-RRFJBIMHSA-N 1 2 349.394 0.920 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)nc1 ZINC000950776956 611904759 /nfs/dbraw/zinc/90/47/59/611904759.db2.gz KVEUYSZXECHJIH-RRFJBIMHSA-N 1 2 349.394 0.920 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000949283920 611927905 /nfs/dbraw/zinc/92/79/05/611927905.db2.gz UJPHRDIRJWULBB-GFCCVEGCSA-N 1 2 326.360 0.491 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)CCc3ccnn3C)CC2)C1 ZINC000949378961 611957587 /nfs/dbraw/zinc/95/75/87/611957587.db2.gz HLBZNLWPXNRHFC-UHFFFAOYSA-N 1 2 330.432 0.679 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)CCc3ccnn3C)CC2)C1 ZINC000949378961 611957588 /nfs/dbraw/zinc/95/75/88/611957588.db2.gz HLBZNLWPXNRHFC-UHFFFAOYSA-N 1 2 330.432 0.679 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ncnc4[nH]ccc43)CC2)C1 ZINC000949405926 611967444 /nfs/dbraw/zinc/96/74/44/611967444.db2.gz MQFDJEJYYGKLOF-UHFFFAOYSA-N 1 2 339.399 0.850 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ncnc4[nH]ccc43)CC2)C1 ZINC000949405926 611967445 /nfs/dbraw/zinc/96/74/45/611967445.db2.gz MQFDJEJYYGKLOF-UHFFFAOYSA-N 1 2 339.399 0.850 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC2(CC1)C[N@H+](CC(=O)N(C)C)CCO2 ZINC000949433438 611978795 /nfs/dbraw/zinc/97/87/95/611978795.db2.gz UFSDPBLGGSFXFT-UHFFFAOYSA-N 1 2 337.464 0.980 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC2(CC1)C[N@@H+](CC(=O)N(C)C)CCO2 ZINC000949433438 611978796 /nfs/dbraw/zinc/97/87/96/611978796.db2.gz UFSDPBLGGSFXFT-UHFFFAOYSA-N 1 2 337.464 0.980 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCc4n[nH]cc4C3)CC2)C1 ZINC000949512058 612015904 /nfs/dbraw/zinc/01/59/04/612015904.db2.gz FWYONCCWBISJHG-HNNXBMFYSA-N 1 2 342.443 0.841 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCc4n[nH]cc4C3)CC2)C1 ZINC000949512058 612015905 /nfs/dbraw/zinc/01/59/05/612015905.db2.gz FWYONCCWBISJHG-HNNXBMFYSA-N 1 2 342.443 0.841 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C[C@H]3CCCCC(=O)N3)CC2)C1 ZINC000949517801 612018277 /nfs/dbraw/zinc/01/82/77/612018277.db2.gz FBHDQZHGLBJCTP-MRXNPFEDSA-N 1 2 347.459 0.762 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C[C@H]3CCCCC(=O)N3)CC2)C1 ZINC000949517801 612018279 /nfs/dbraw/zinc/01/82/79/612018279.db2.gz FBHDQZHGLBJCTP-MRXNPFEDSA-N 1 2 347.459 0.762 20 30 ECEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCNC3=O)CC2)cc1 ZINC000949640204 612048974 /nfs/dbraw/zinc/04/89/74/612048974.db2.gz SDRDNELRSHBPNO-MRXNPFEDSA-N 1 2 342.399 0.369 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000952958703 612138560 /nfs/dbraw/zinc/13/85/60/612138560.db2.gz VXKOAFBICQFXCU-SUMWQHHRSA-N 1 2 329.404 0.953 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000951413395 612214214 /nfs/dbraw/zinc/21/42/14/612214214.db2.gz LKHRONIXJBVGRC-ZDUSSCGKSA-N 1 2 340.387 0.583 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cn1 ZINC000951493713 612268719 /nfs/dbraw/zinc/26/87/19/612268719.db2.gz DACBDVFFPUBLMM-HNNXBMFYSA-N 1 2 337.383 0.750 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000951509951 612283997 /nfs/dbraw/zinc/28/39/97/612283997.db2.gz ABXTXGGTKUZHKC-CYBMUJFWSA-N 1 2 340.387 0.881 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000953885337 612393008 /nfs/dbraw/zinc/39/30/08/612393008.db2.gz NTVLBRWMPBBPCK-UHFFFAOYSA-N 1 2 340.387 0.915 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCN(C(C)=O)CC3)C2)cn1 ZINC000956568725 612913726 /nfs/dbraw/zinc/91/37/26/612913726.db2.gz VRTOETOYDVOITF-KRWDZBQOSA-N 1 2 326.400 0.442 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)OC)C2)CC1 ZINC000956598743 612922902 /nfs/dbraw/zinc/92/29/02/612922902.db2.gz GXODWVGCTSGQRN-LSDHHAIUSA-N 1 2 337.464 0.979 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)CC(C)(F)F)CC2)C1 ZINC000956603576 612924274 /nfs/dbraw/zinc/92/42/74/612924274.db2.gz CMRGMUSSMDUWOO-STQMWFEESA-N 1 2 342.390 0.936 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCN(C(=O)CC)C2)CC1 ZINC000956607313 612925060 /nfs/dbraw/zinc/92/50/60/612925060.db2.gz KZTUYQBXZQCIGQ-XHSDSOJGSA-N 1 2 335.448 0.733 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C3CCCC3)C2)nn1 ZINC001098595389 738505083 /nfs/dbraw/zinc/50/50/83/738505083.db2.gz MSRQSLAGZGQLEY-KRWDZBQOSA-N 1 2 345.447 0.981 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC(C)(C)CO2)[C@@H](n2ccnn2)C1 ZINC001069978115 790271309 /nfs/dbraw/zinc/27/13/09/790271309.db2.gz XNVHLHUNQLUQRX-XHSDSOJGSA-N 1 2 345.447 0.848 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC(C)(C)CO2)[C@@H](n2ccnn2)C1 ZINC001069978115 790271317 /nfs/dbraw/zinc/27/13/17/790271317.db2.gz XNVHLHUNQLUQRX-XHSDSOJGSA-N 1 2 345.447 0.848 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]([NH2+]Cc2nc(CC(=O)NC)no2)C1 ZINC000969832369 732424841 /nfs/dbraw/zinc/42/48/41/732424841.db2.gz RPKFBUZCDWLTPX-PXAZEXFGSA-N 1 2 349.435 0.651 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC000969990123 732596786 /nfs/dbraw/zinc/59/67/86/732596786.db2.gz DARHDHLXHRUDAD-MNOVXSKESA-N 1 2 339.827 0.735 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3cnsn3)C2)nn1 ZINC000970224533 733235193 /nfs/dbraw/zinc/23/51/93/733235193.db2.gz RCGJMDOFWSCBJD-LLVKDONJSA-N 1 2 333.421 0.710 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@H]2O)C1 ZINC000970398321 733465751 /nfs/dbraw/zinc/46/57/51/733465751.db2.gz CGGYVNZOSHYBMO-KFWWJZLASA-N 1 2 346.431 0.878 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@@H]2O)C1 ZINC000970403146 733475441 /nfs/dbraw/zinc/47/54/41/733475441.db2.gz OOAMBRQDJVZIDT-CFVMTHIKSA-N 1 2 346.431 0.633 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@@H]2O)C1 ZINC000970403146 733475443 /nfs/dbraw/zinc/47/54/43/733475443.db2.gz OOAMBRQDJVZIDT-CFVMTHIKSA-N 1 2 346.431 0.633 20 30 ECEDLO C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000970762870 733920413 /nfs/dbraw/zinc/92/04/13/733920413.db2.gz HJNVVUAFWOPGAQ-ZBEGNZNMSA-N 1 2 344.390 0.912 20 30 ECEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971044461 734204795 /nfs/dbraw/zinc/20/47/95/734204795.db2.gz GSPYCHMBGJJSGU-OAHLLOKOSA-N 1 2 343.366 0.417 20 30 ECEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971044461 734204797 /nfs/dbraw/zinc/20/47/97/734204797.db2.gz GSPYCHMBGJJSGU-OAHLLOKOSA-N 1 2 343.366 0.417 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N1CCO[C@H](CNC(=O)C#CC2CC2)C1 ZINC001104313544 734239667 /nfs/dbraw/zinc/23/96/67/734239667.db2.gz NYIBCVXMLQYWSK-CYBMUJFWSA-N 1 2 340.387 0.098 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CN(c2ccncc2C#N)CCO1 ZINC001104324822 734315252 /nfs/dbraw/zinc/31/52/52/734315252.db2.gz LTCUWBLCQUDLDC-CQSZACIVSA-N 1 2 340.387 0.549 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000971205904 734358710 /nfs/dbraw/zinc/35/87/10/734358710.db2.gz YKUKQFAYEDQSSM-GHMZBOCLSA-N 1 2 330.226 0.706 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000971205904 734358713 /nfs/dbraw/zinc/35/87/13/734358713.db2.gz YKUKQFAYEDQSSM-GHMZBOCLSA-N 1 2 330.226 0.706 20 30 ECEDLO N#Cc1ccc(N2CCO[C@H](CNC(=O)CCc3c[nH]c[nH+]3)C2)nc1 ZINC001104352685 734599839 /nfs/dbraw/zinc/59/98/39/734599839.db2.gz FEYKWUWZLSFAOD-OAHLLOKOSA-N 1 2 340.387 0.631 20 30 ECEDLO N#Cc1ccc(N2CCO[C@H](CNC(=O)CCc3c[nH+]c[nH]3)C2)nc1 ZINC001104352685 734599840 /nfs/dbraw/zinc/59/98/40/734599840.db2.gz FEYKWUWZLSFAOD-OAHLLOKOSA-N 1 2 340.387 0.631 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971545636 734739370 /nfs/dbraw/zinc/73/93/70/734739370.db2.gz VXKBLFNQCZWNID-JTQLQIEISA-N 1 2 329.202 0.114 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971545636 734739375 /nfs/dbraw/zinc/73/93/75/734739375.db2.gz VXKBLFNQCZWNID-JTQLQIEISA-N 1 2 329.202 0.114 20 30 ECEDLO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC000971592575 734777334 /nfs/dbraw/zinc/77/73/34/734777334.db2.gz OREDGGOLJHYVLL-INIZCTEOSA-N 1 2 347.440 0.636 20 30 ECEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC000971592575 734777337 /nfs/dbraw/zinc/77/73/37/734777337.db2.gz OREDGGOLJHYVLL-INIZCTEOSA-N 1 2 347.440 0.636 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccnc(NC(C)=O)c3)[C@H]2C1 ZINC001083226581 735147403 /nfs/dbraw/zinc/14/74/03/735147403.db2.gz MLLWFQSZZFIYEK-LSDHHAIUSA-N 1 2 328.372 0.198 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccnc(NC(C)=O)c3)[C@H]2C1 ZINC001083226581 735147406 /nfs/dbraw/zinc/14/74/06/735147406.db2.gz MLLWFQSZZFIYEK-LSDHHAIUSA-N 1 2 328.372 0.198 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C3CC3)CCOCC2)[C@@H](n2ccnn2)C1 ZINC001069989399 790284019 /nfs/dbraw/zinc/28/40/19/790284019.db2.gz QEJOBDUGFDXSKE-CVEARBPZSA-N 1 2 343.431 0.460 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C3CC3)CCOCC2)[C@@H](n2ccnn2)C1 ZINC001069989399 790284022 /nfs/dbraw/zinc/28/40/22/790284022.db2.gz QEJOBDUGFDXSKE-CVEARBPZSA-N 1 2 343.431 0.460 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCc4cn[nH]c43)C2)C1 ZINC000972386869 736056813 /nfs/dbraw/zinc/05/68/13/736056813.db2.gz HTZFAXMFFLPWCK-CRAIPNDOSA-N 1 2 328.416 0.766 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCc4cn[nH]c43)C2)C1 ZINC000972386869 736056819 /nfs/dbraw/zinc/05/68/19/736056819.db2.gz HTZFAXMFFLPWCK-CRAIPNDOSA-N 1 2 328.416 0.766 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3[nH]nc4c3CCCC4)C2)C1 ZINC000972387661 736059541 /nfs/dbraw/zinc/05/95/41/736059541.db2.gz VBZQADWUAGHFMU-IBGZPJMESA-N 1 2 342.443 0.768 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3[nH]nc4c3CCCC4)C2)C1 ZINC000972387661 736059545 /nfs/dbraw/zinc/05/95/45/736059545.db2.gz VBZQADWUAGHFMU-IBGZPJMESA-N 1 2 342.443 0.768 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4nc[nH]c4n3)C2)C1 ZINC000972429167 736178521 /nfs/dbraw/zinc/17/85/21/736178521.db2.gz YPFNCKWZYQVLNY-GOSISDBHSA-N 1 2 339.399 0.898 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4nc[nH]c4n3)C2)C1 ZINC000972429167 736178524 /nfs/dbraw/zinc/17/85/24/736178524.db2.gz YPFNCKWZYQVLNY-GOSISDBHSA-N 1 2 339.399 0.898 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)C1 ZINC000972430815 736180490 /nfs/dbraw/zinc/18/04/90/736180490.db2.gz KSRNJEUZFNFPQN-JFIYKMOQSA-N 1 2 335.448 0.032 20 30 ECEDLO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)C1 ZINC000972430815 736180495 /nfs/dbraw/zinc/18/04/95/736180495.db2.gz KSRNJEUZFNFPQN-JFIYKMOQSA-N 1 2 335.448 0.032 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn4c(n3)COCC4)C2)C1 ZINC000972435563 736188160 /nfs/dbraw/zinc/18/81/60/736188160.db2.gz PKCFGSPSNIIFLZ-GOSISDBHSA-N 1 2 344.415 0.354 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn4c(n3)COCC4)C2)C1 ZINC000972435563 736188164 /nfs/dbraw/zinc/18/81/64/736188164.db2.gz PKCFGSPSNIIFLZ-GOSISDBHSA-N 1 2 344.415 0.354 20 30 ECEDLO N#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000972440351 736196018 /nfs/dbraw/zinc/19/60/18/736196018.db2.gz DTORMBFWVWPBNC-PBHICJAKSA-N 1 2 329.404 0.272 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nccn4C3)C2)C1 ZINC000972442058 736204907 /nfs/dbraw/zinc/20/49/07/736204907.db2.gz YGROFXFOPLKINK-MAUKXSAKSA-N 1 2 330.432 0.935 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nccn4C3)C2)C1 ZINC000972442058 736204908 /nfs/dbraw/zinc/20/49/08/736204908.db2.gz YGROFXFOPLKINK-MAUKXSAKSA-N 1 2 330.432 0.935 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3c(C)nc[nH]c3=O)C2)C1 ZINC000972450422 736232983 /nfs/dbraw/zinc/23/29/83/736232983.db2.gz UZFROHXQNDHAOZ-SFHVURJKSA-N 1 2 346.431 0.913 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCN(C(C)=O)C3)C2)C1 ZINC000972455983 736245210 /nfs/dbraw/zinc/24/52/10/736245210.db2.gz PDEDISLLKUUTOL-PKOBYXMFSA-N 1 2 347.459 0.572 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCN(C(C)=O)C3)C2)C1 ZINC000972455983 736245214 /nfs/dbraw/zinc/24/52/14/736245214.db2.gz PDEDISLLKUUTOL-PKOBYXMFSA-N 1 2 347.459 0.572 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nc(C)nn4C3)C2)C1 ZINC000972479286 736301581 /nfs/dbraw/zinc/30/15/81/736301581.db2.gz SWVQLLJQUASVPK-MAUKXSAKSA-N 1 2 345.447 0.638 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nc(C)nn4C3)C2)C1 ZINC000972479286 736301585 /nfs/dbraw/zinc/30/15/85/736301585.db2.gz SWVQLLJQUASVPK-MAUKXSAKSA-N 1 2 345.447 0.638 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@]2(C1)C[N@H+](CCn1cncn1)CCO2 ZINC000972495949 736399702 /nfs/dbraw/zinc/39/97/02/736399702.db2.gz BUNPUQDROLJCBI-QGZVFWFLSA-N 1 2 333.436 0.794 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@]2(C1)C[N@@H+](CCn1cncn1)CCO2 ZINC000972495949 736399706 /nfs/dbraw/zinc/39/97/06/736399706.db2.gz BUNPUQDROLJCBI-QGZVFWFLSA-N 1 2 333.436 0.794 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H](C)OC2(CC[NH+](Cc3cn(C)nn3)CC2)C1 ZINC001098574525 736409745 /nfs/dbraw/zinc/40/97/45/736409745.db2.gz NBBMKQTXTPPRRL-ZIAGYGMSSA-N 1 2 346.435 0.557 20 30 ECEDLO C[C@@H](CNc1[nH+]cnc2c1cnn2C)N(C)C(=O)CSCC#N ZINC001104464549 736434586 /nfs/dbraw/zinc/43/45/86/736434586.db2.gz YXTGYPYXDDVYIT-JTQLQIEISA-N 1 2 333.421 0.879 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C(C)C)C2)C1 ZINC000972517773 736536664 /nfs/dbraw/zinc/53/66/64/736536664.db2.gz GIBGVIHVNWQLSO-LPHOPBHVSA-N 1 2 347.459 0.712 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C(C)C)C2)C1 ZINC000972517773 736536668 /nfs/dbraw/zinc/53/66/68/736536668.db2.gz GIBGVIHVNWQLSO-LPHOPBHVSA-N 1 2 347.459 0.712 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCc4nn[nH]c43)C2)C1 ZINC000972525067 736570895 /nfs/dbraw/zinc/57/08/95/736570895.db2.gz YBETYZBBGWJAFU-KBXCAEBGSA-N 1 2 343.431 0.551 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCc4nn[nH]c43)C2)C1 ZINC000972525067 736570897 /nfs/dbraw/zinc/57/08/97/736570897.db2.gz YBETYZBBGWJAFU-KBXCAEBGSA-N 1 2 343.431 0.551 20 30 ECEDLO Cc1nnc(C[N@@H+]2CCC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)[nH]1 ZINC001023320007 736680267 /nfs/dbraw/zinc/68/02/67/736680267.db2.gz OAPZRKKFIBROKY-LBPRGKRZSA-N 1 2 327.392 0.955 20 30 ECEDLO Cc1nnc(C[N@H+]2CCC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)[nH]1 ZINC001023320007 736680270 /nfs/dbraw/zinc/68/02/70/736680270.db2.gz OAPZRKKFIBROKY-LBPRGKRZSA-N 1 2 327.392 0.955 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)s3)C2)C1 ZINC000972595650 737026847 /nfs/dbraw/zinc/02/68/47/737026847.db2.gz DLKZJOVPSMFUSA-KRWDZBQOSA-N 1 2 347.440 0.787 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)s3)C2)C1 ZINC000972595650 737026851 /nfs/dbraw/zinc/02/68/51/737026851.db2.gz DLKZJOVPSMFUSA-KRWDZBQOSA-N 1 2 347.440 0.787 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)N3CCOCC3)C2)C1 ZINC000972598164 737042489 /nfs/dbraw/zinc/04/24/89/737042489.db2.gz AVONDRHGRFXSJP-SFHVURJKSA-N 1 2 337.464 0.587 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)N3CCOCC3)C2)C1 ZINC000972598164 737042492 /nfs/dbraw/zinc/04/24/92/737042492.db2.gz AVONDRHGRFXSJP-SFHVURJKSA-N 1 2 337.464 0.587 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCCN(C)C3=O)C2)C1 ZINC000972633920 737179923 /nfs/dbraw/zinc/17/99/23/737179923.db2.gz IXPHLYBTCMTLPI-CRAIPNDOSA-N 1 2 335.448 0.734 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCCN(C)C3=O)C2)C1 ZINC000972633920 737179925 /nfs/dbraw/zinc/17/99/25/737179925.db2.gz IXPHLYBTCMTLPI-CRAIPNDOSA-N 1 2 335.448 0.734 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3cc4ccccc4n3)C2)C1 ZINC000972639329 737202504 /nfs/dbraw/zinc/20/25/04/737202504.db2.gz RYZQQDQOPINXAP-IBGZPJMESA-N 1 2 338.411 0.973 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3cc4ccccc4n3)C2)C1 ZINC000972639329 737202506 /nfs/dbraw/zinc/20/25/06/737202506.db2.gz RYZQQDQOPINXAP-IBGZPJMESA-N 1 2 338.411 0.973 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4[nH]nnc4C3)C2)C1 ZINC000972639052 737202685 /nfs/dbraw/zinc/20/26/85/737202685.db2.gz OZFCOQUFHFUIOZ-KBXCAEBGSA-N 1 2 345.447 0.789 20 30 ECEDLO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4[nH]nnc4C3)C2)C1 ZINC000972639052 737202688 /nfs/dbraw/zinc/20/26/88/737202688.db2.gz OZFCOQUFHFUIOZ-KBXCAEBGSA-N 1 2 345.447 0.789 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nn[nH]c4C3)C2)C1 ZINC000972639052 737202691 /nfs/dbraw/zinc/20/26/91/737202691.db2.gz OZFCOQUFHFUIOZ-KBXCAEBGSA-N 1 2 345.447 0.789 20 30 ECEDLO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nn[nH]c4C3)C2)C1 ZINC000972639052 737202692 /nfs/dbraw/zinc/20/26/92/737202692.db2.gz OZFCOQUFHFUIOZ-KBXCAEBGSA-N 1 2 345.447 0.789 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](CC)N3CCCC3=O)C2)C1 ZINC000972672955 737338348 /nfs/dbraw/zinc/33/83/48/737338348.db2.gz BSMBRDNXFGNVJQ-QFBILLFUSA-N 1 2 347.459 0.714 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](CC)N3CCCC3=O)C2)C1 ZINC000972672955 737338354 /nfs/dbraw/zinc/33/83/54/737338354.db2.gz BSMBRDNXFGNVJQ-QFBILLFUSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C2)C1 ZINC000972676956 737356680 /nfs/dbraw/zinc/35/66/80/737356680.db2.gz NAXFSMRWISGTEP-SFHVURJKSA-N 1 2 344.415 0.278 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C2)C1 ZINC000972676956 737356686 /nfs/dbraw/zinc/35/66/86/737356686.db2.gz NAXFSMRWISGTEP-SFHVURJKSA-N 1 2 344.415 0.278 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)cc(=O)[nH]c3C)C2)C1 ZINC000972685032 737376397 /nfs/dbraw/zinc/37/63/97/737376397.db2.gz KTRKWBVYWQOFNN-SFHVURJKSA-N 1 2 329.400 0.954 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)cc(=O)[nH]c3C)C2)C1 ZINC000972685032 737376399 /nfs/dbraw/zinc/37/63/99/737376399.db2.gz KTRKWBVYWQOFNN-SFHVURJKSA-N 1 2 329.400 0.954 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nncn4C3)C2)C1 ZINC000972686681 737378564 /nfs/dbraw/zinc/37/85/64/737378564.db2.gz BLHOUIBEIKUGAF-YJBOKZPZSA-N 1 2 343.431 0.167 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nncn4C3)C2)C1 ZINC000972686681 737378566 /nfs/dbraw/zinc/37/85/66/737378566.db2.gz BLHOUIBEIKUGAF-YJBOKZPZSA-N 1 2 343.431 0.167 20 30 ECEDLO C[NH+](C)[C@@H](C(=O)N1CC[C@]2(C1)CN(CC#N)CCO2)c1cccnc1 ZINC000972695484 737405324 /nfs/dbraw/zinc/40/53/24/737405324.db2.gz TVGDDFYIBXINRY-SJLPKXTDSA-N 1 2 343.431 0.511 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccccc2)C[C@H]1O ZINC001024357924 737920345 /nfs/dbraw/zinc/92/03/45/737920345.db2.gz ZNTNYDCXPHIQBY-IXDOHACOSA-N 1 2 341.411 0.086 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccccc2)C[C@H]1O ZINC001024357924 737920348 /nfs/dbraw/zinc/92/03/48/737920348.db2.gz ZNTNYDCXPHIQBY-IXDOHACOSA-N 1 2 341.411 0.086 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N(CCO)CCNc1ncc(C#N)cc1F ZINC001111492633 738127011 /nfs/dbraw/zinc/12/70/11/738127011.db2.gz IWMSLUAAMGICGZ-UHFFFAOYSA-N 1 2 346.366 0.599 20 30 ECEDLO Cn1nnc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccc(C#N)s2)n1 ZINC001024607997 738161606 /nfs/dbraw/zinc/16/16/06/738161606.db2.gz LLJAFYCQOOJYOD-NSHDSACASA-N 1 2 345.432 0.928 20 30 ECEDLO Cn1nnc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccc(C#N)s2)n1 ZINC001024607997 738161607 /nfs/dbraw/zinc/16/16/07/738161607.db2.gz LLJAFYCQOOJYOD-NSHDSACASA-N 1 2 345.432 0.928 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(=O)NC2CC2)c1 ZINC001024644195 738195452 /nfs/dbraw/zinc/19/54/52/738195452.db2.gz MNGFOPFELFOLPS-KRWDZBQOSA-N 1 2 340.427 0.926 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=O)NC2CC2)c1 ZINC001024644195 738195453 /nfs/dbraw/zinc/19/54/53/738195453.db2.gz MNGFOPFELFOLPS-KRWDZBQOSA-N 1 2 340.427 0.926 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(NC(N)=O)c3)[C@H]2C1 ZINC001083270973 738212498 /nfs/dbraw/zinc/21/24/98/738212498.db2.gz JVAFMYSKOIXQER-LSDHHAIUSA-N 1 2 328.372 0.336 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(NC(N)=O)c3)[C@H]2C1 ZINC001083270973 738212501 /nfs/dbraw/zinc/21/25/01/738212501.db2.gz JVAFMYSKOIXQER-LSDHHAIUSA-N 1 2 328.372 0.336 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cn3c(=O)oc4ccccc43)[C@H]2C1 ZINC001083271475 738247047 /nfs/dbraw/zinc/24/70/47/738247047.db2.gz KVEIKMWVFAGMEH-GOEBONIOSA-N 1 2 341.367 0.139 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c(=O)oc4ccccc43)[C@H]2C1 ZINC001083271475 738247051 /nfs/dbraw/zinc/24/70/51/738247051.db2.gz KVEIKMWVFAGMEH-GOEBONIOSA-N 1 2 341.367 0.139 20 30 ECEDLO C[C@@H](CNc1ccnc(C#N)n1)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001104605173 739177369 /nfs/dbraw/zinc/17/73/69/739177369.db2.gz YLMNCGZUVNGAPK-ZDUSSCGKSA-N 1 2 327.392 0.706 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001025709586 739889266 /nfs/dbraw/zinc/88/92/66/739889266.db2.gz QWPMOZSGLLFYBW-RGCMKSIDSA-N 1 2 346.431 0.424 20 30 ECEDLO C=C1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001025802768 739971251 /nfs/dbraw/zinc/97/12/51/739971251.db2.gz IMRICXQDMOYYLK-HUUCEWRRSA-N 1 2 332.404 0.387 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cnccn3)C2)C1=O ZINC001006617742 751575767 /nfs/dbraw/zinc/57/57/67/751575767.db2.gz YBCPFGVZCVRGHQ-DZGCQCFKSA-N 1 2 329.404 0.458 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cnccn3)C2)C1=O ZINC001006617742 751575771 /nfs/dbraw/zinc/57/57/71/751575771.db2.gz YBCPFGVZCVRGHQ-DZGCQCFKSA-N 1 2 329.404 0.458 20 30 ECEDLO C[C@H]1CN(C(=O)c2cn(C)ccc2=O)CC2(CC[NH+](CC#N)CC2)O1 ZINC001098613547 740951363 /nfs/dbraw/zinc/95/13/63/740951363.db2.gz AKYIWQZAMUFULA-AWEZNQCLSA-N 1 2 344.415 0.604 20 30 ECEDLO C#CC[N@H+]1CCCC2(CN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)C2)C1 ZINC000982104234 751593100 /nfs/dbraw/zinc/59/31/00/751593100.db2.gz GLZXQCZFJUXHKK-HNNXBMFYSA-N 1 2 338.473 0.759 20 30 ECEDLO C#CC[N@@H+]1CCCC2(CN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)C2)C1 ZINC000982104234 751593103 /nfs/dbraw/zinc/59/31/03/751593103.db2.gz GLZXQCZFJUXHKK-HNNXBMFYSA-N 1 2 338.473 0.759 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000974181721 741065411 /nfs/dbraw/zinc/06/54/11/741065411.db2.gz MNOFHLYRUNXIEB-LMWOUKEDSA-N 1 2 332.404 0.697 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[N@@H+](CC(=O)N(C)C3CC3)CC2)nn1 ZINC000982112852 751606014 /nfs/dbraw/zinc/60/60/14/751606014.db2.gz BYFJRKZSSKTZHR-UHFFFAOYSA-N 1 2 346.435 0.233 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[N@H+](CC(=O)N(C)C3CC3)CC2)nn1 ZINC000982112852 751606020 /nfs/dbraw/zinc/60/60/20/751606020.db2.gz BYFJRKZSSKTZHR-UHFFFAOYSA-N 1 2 346.435 0.233 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[N@@H+]([C@H]3CCN(CC)C3=O)CC2)nn1 ZINC000982117859 751611378 /nfs/dbraw/zinc/61/13/78/751611378.db2.gz QEQFJQLMCADLKS-HNNXBMFYSA-N 1 2 346.435 0.233 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[N@H+]([C@H]3CCN(CC)C3=O)CC2)nn1 ZINC000982117859 751611380 /nfs/dbraw/zinc/61/13/80/751611380.db2.gz QEQFJQLMCADLKS-HNNXBMFYSA-N 1 2 346.435 0.233 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)c1[nH+]cnc2c1cnn2C ZINC001112071689 741178731 /nfs/dbraw/zinc/17/87/31/741178731.db2.gz PTDLTVRGOQOOHP-QGZVFWFLSA-N 1 2 346.435 0.975 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N(C)CCCN(C)c1[nH+]cnc2c1cnn2C ZINC001112071688 741178738 /nfs/dbraw/zinc/17/87/38/741178738.db2.gz PTDLTVRGOQOOHP-KRWDZBQOSA-N 1 2 346.435 0.975 20 30 ECEDLO C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1CCNCC#N ZINC001105041425 741218772 /nfs/dbraw/zinc/21/87/72/741218772.db2.gz FBPPFDBILQQNOL-DJIMGWMZSA-N 1 2 334.464 0.695 20 30 ECEDLO C=CCN(CC=C)C(=O)C[NH2+]Cc1cn(C2CN(C(=O)CC)C2)nn1 ZINC001105125799 741396814 /nfs/dbraw/zinc/39/68/14/741396814.db2.gz YIEIZMKIWMVRDK-UHFFFAOYSA-N 1 2 346.435 0.362 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)C3CC(C)C3)C2)nn1 ZINC001105209873 741473179 /nfs/dbraw/zinc/47/31/79/741473179.db2.gz UJAGGZDSELQLMY-UHFFFAOYSA-N 1 2 331.420 0.447 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCO[C@@H]3C)C2)nn1 ZINC001105225511 741507419 /nfs/dbraw/zinc/50/74/19/741507419.db2.gz WEVBRUFMDIQZPQ-CJNGLKHVSA-N 1 2 331.420 0.589 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C[C@@H](C)CC)C2)nn1 ZINC001105227301 741508468 /nfs/dbraw/zinc/50/84/68/741508468.db2.gz FNSXBGVTQYPRDB-ZDUSSCGKSA-N 1 2 348.451 0.489 20 30 ECEDLO CC(C)C#CC(=O)N1CC(n2cc(C[NH2+]Cc3cnn(C)c3)nn2)C1 ZINC001105238191 741525612 /nfs/dbraw/zinc/52/56/12/741525612.db2.gz OKLKTTUILSSZEZ-UHFFFAOYSA-N 1 2 341.419 0.344 20 30 ECEDLO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCc4c[nH]nc43)C2)nn1 ZINC001105240483 741531523 /nfs/dbraw/zinc/53/15/23/741531523.db2.gz OZUMRDFRMDJHNM-HNNXBMFYSA-N 1 2 341.419 0.780 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC(n2cc(C[NH2+]C[C@@H](F)CC)nn2)C1 ZINC001105240476 741531555 /nfs/dbraw/zinc/53/15/55/741531555.db2.gz OONCFTCNAATUBV-STQMWFEESA-N 1 2 337.399 0.537 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3ccncc3)C2)nn1 ZINC001105242719 741539565 /nfs/dbraw/zinc/53/95/65/741539565.db2.gz DSOOPTYLOJSVCI-DLBZAZTESA-N 1 2 336.399 0.583 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCCC3CCOCC3)C2)nn1 ZINC001105256574 741571200 /nfs/dbraw/zinc/57/12/00/741571200.db2.gz JPSPPWYBJMXCIP-UHFFFAOYSA-N 1 2 345.447 0.981 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C)nnc3CC)C2)nn1 ZINC001105273001 741618309 /nfs/dbraw/zinc/61/83/09/741618309.db2.gz WQXYUHOJSUHOTK-UHFFFAOYSA-N 1 2 339.403 0.359 20 30 ECEDLO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001026618240 741618761 /nfs/dbraw/zinc/61/87/61/741618761.db2.gz TWAGPVQPHKDBPM-VNQPRFMTSA-N 1 2 340.427 0.822 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3n[nH]c4ccc(C)cc43)C2)nn1 ZINC001105276839 741627398 /nfs/dbraw/zinc/62/73/98/741627398.db2.gz TVXITHWRIXTMQV-UHFFFAOYSA-N 1 2 349.398 0.883 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ncc(Cl)s3)C2)nn1 ZINC001105280890 741637236 /nfs/dbraw/zinc/63/72/36/741637236.db2.gz IVEDOYROGWPIHN-UHFFFAOYSA-N 1 2 336.808 0.808 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CC(C)(C)CO3)C2)nn1 ZINC001105281000 741639253 /nfs/dbraw/zinc/63/92/53/741639253.db2.gz PDSAIYKEGXZRFL-MRXNPFEDSA-N 1 2 345.447 0.980 20 30 ECEDLO C=C1CCC(C(=O)N(CCO)CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001058725689 741645403 /nfs/dbraw/zinc/64/54/03/741645403.db2.gz QFEIFUSETKGKSD-UHFFFAOYSA-N 1 2 348.447 0.646 20 30 ECEDLO CCC[C@@H](OC)C(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105296947 741674161 /nfs/dbraw/zinc/67/41/61/741674161.db2.gz CYLGUTFXUOUPLX-MRXNPFEDSA-N 1 2 349.435 0.216 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H](C)n3ccc(C)n3)C2)nn1 ZINC001105299359 741682156 /nfs/dbraw/zinc/68/21/56/741682156.db2.gz TYUWJNVYCCDNBM-CQSZACIVSA-N 1 2 341.419 0.540 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105305784 741699440 /nfs/dbraw/zinc/69/94/40/741699440.db2.gz PCKFTHOCQMHBFE-HUUCEWRRSA-N 1 2 345.447 0.859 20 30 ECEDLO C=C/C(C)=C\CC(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105306033 741703192 /nfs/dbraw/zinc/70/31/92/741703192.db2.gz XRLGWQRRBHXBOP-CHHVJCJISA-N 1 2 343.431 0.923 20 30 ECEDLO CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Nc1ccnc(C#N)n1 ZINC001105308481 741710455 /nfs/dbraw/zinc/71/04/55/741710455.db2.gz XRTGKZPZQRRVOF-JHJVBQTASA-N 1 2 339.403 0.850 20 30 ECEDLO CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Nc1ccnc(C#N)n1 ZINC001105308481 741710457 /nfs/dbraw/zinc/71/04/57/741710457.db2.gz XRTGKZPZQRRVOF-JHJVBQTASA-N 1 2 339.403 0.850 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)Oc3cccnc3)C2)nn1 ZINC001105325726 741796914 /nfs/dbraw/zinc/79/69/14/741796914.db2.gz YZGTYVSPEXUKSQ-ZDUSSCGKSA-N 1 2 340.387 0.247 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2csnn2)C1 ZINC001026893787 742038638 /nfs/dbraw/zinc/03/86/38/742038638.db2.gz NOUHMNRJTVYHHG-HIFRSBDPSA-N 1 2 333.461 0.574 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 ZINC000974698873 742059136 /nfs/dbraw/zinc/05/91/36/742059136.db2.gz PRJHHJUEQSSAJC-GDBMZVCRSA-N 1 2 326.400 0.733 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cc(C)no3)C2)C1=O ZINC001006744819 751755562 /nfs/dbraw/zinc/75/55/62/751755562.db2.gz WXDQYOSBHSGYJI-ZIAGYGMSSA-N 1 2 332.404 0.964 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cc(C)no3)C2)C1=O ZINC001006744819 751755567 /nfs/dbraw/zinc/75/55/67/751755567.db2.gz WXDQYOSBHSGYJI-ZIAGYGMSSA-N 1 2 332.404 0.964 20 30 ECEDLO C=C(C)CC[N@@H+]1CCCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC000982251357 751765279 /nfs/dbraw/zinc/76/52/79/751765279.db2.gz IQPYRKCGJUMWQJ-UHFFFAOYSA-N 1 2 344.419 0.572 20 30 ECEDLO C=C(C)CC[N@H+]1CCCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC000982251357 751765281 /nfs/dbraw/zinc/76/52/81/751765281.db2.gz IQPYRKCGJUMWQJ-UHFFFAOYSA-N 1 2 344.419 0.572 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)nc1 ZINC000997092441 743224274 /nfs/dbraw/zinc/22/42/74/743224274.db2.gz GOFGHZYAHILUEY-CQSZACIVSA-N 1 2 349.394 0.847 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC000975817036 743331082 /nfs/dbraw/zinc/33/10/82/743331082.db2.gz YWBCYZBSKGSCAG-YDHLFZDLSA-N 1 2 329.404 0.572 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCCCCOCC)C2)nn1 ZINC001105380949 743435840 /nfs/dbraw/zinc/43/58/40/743435840.db2.gz JJAKMXJMNUONHG-UHFFFAOYSA-N 1 2 333.436 0.981 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCC[C@@H]3OC)C2)nn1 ZINC001105381358 743450193 /nfs/dbraw/zinc/45/01/93/743450193.db2.gz YAMRCYNBLCMJPK-HOTGVXAUSA-N 1 2 331.420 0.589 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001059867910 751831148 /nfs/dbraw/zinc/83/11/48/751831148.db2.gz YUBDLGRLYQLGJL-RHSMWYFYSA-N 1 2 334.420 0.565 20 30 ECEDLO Cn1cnc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)c1 ZINC001083404696 743512008 /nfs/dbraw/zinc/51/20/08/743512008.db2.gz BCDPTFQILNZGPI-ZBFHGGJFSA-N 1 2 325.372 0.267 20 30 ECEDLO Cn1cnc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)c1 ZINC001083404696 743512013 /nfs/dbraw/zinc/51/20/13/743512013.db2.gz BCDPTFQILNZGPI-ZBFHGGJFSA-N 1 2 325.372 0.267 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@@H+]1C[C@@]2(C)CN(C(=O)C#CC3CC3)C[C@@]2(C)C1 ZINC000982278971 751850865 /nfs/dbraw/zinc/85/08/65/751850865.db2.gz VGWDCSKZPCLJRV-DOPJRALCSA-N 1 2 342.447 0.855 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@H+]1C[C@@]2(C)CN(C(=O)C#CC3CC3)C[C@@]2(C)C1 ZINC000982278971 751850873 /nfs/dbraw/zinc/85/08/73/751850873.db2.gz VGWDCSKZPCLJRV-DOPJRALCSA-N 1 2 342.447 0.855 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001027337165 743800159 /nfs/dbraw/zinc/80/01/59/743800159.db2.gz ZHCJMXSZCVNZNG-GXTWGEPZSA-N 1 2 342.403 0.605 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001027337165 743800160 /nfs/dbraw/zinc/80/01/60/743800160.db2.gz ZHCJMXSZCVNZNG-GXTWGEPZSA-N 1 2 342.403 0.605 20 30 ECEDLO N#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cc[nH+]c2)C3)[nH]1 ZINC000997880579 743867656 /nfs/dbraw/zinc/86/76/56/743867656.db2.gz ISZDQZFGRVVZGF-SNPRPXQTSA-N 1 2 338.371 0.645 20 30 ECEDLO O=C(C#CC1CC1)N1CC(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000998095422 743975109 /nfs/dbraw/zinc/97/51/09/743975109.db2.gz FFCABZPSHRHVKK-KRWDZBQOSA-N 1 2 345.443 0.370 20 30 ECEDLO O=C(C#CC1CC1)N1CC(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000998095422 743975110 /nfs/dbraw/zinc/97/51/10/743975110.db2.gz FFCABZPSHRHVKK-KRWDZBQOSA-N 1 2 345.443 0.370 20 30 ECEDLO C=C1CC(C)(C(=O)N(CCO)CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001058771011 744083266 /nfs/dbraw/zinc/08/32/66/744083266.db2.gz NSGPUVVHCVAKCX-AWEZNQCLSA-N 1 2 348.447 0.882 20 30 ECEDLO C=C1CC(C)(C(=O)N(CCO)CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001058771011 744083269 /nfs/dbraw/zinc/08/32/69/744083269.db2.gz NSGPUVVHCVAKCX-AWEZNQCLSA-N 1 2 348.447 0.882 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H](C(F)(F)F)[C@H](NCC#N)C1 ZINC000998299909 744106906 /nfs/dbraw/zinc/10/69/06/744106906.db2.gz DELDKFZTVZXUGT-VXGBXAGGSA-N 1 2 329.326 0.855 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)nc1 ZINC000999355533 744648756 /nfs/dbraw/zinc/64/87/56/744648756.db2.gz MZTMTTSHANPOKG-AWEZNQCLSA-N 1 2 349.394 0.847 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2[C@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@H]32)c1 ZINC000977160767 744713528 /nfs/dbraw/zinc/71/35/28/744713528.db2.gz LWTXCVDZZDZHOR-HWWDLCQESA-N 1 2 349.394 0.605 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C)CC2(C)C)nn1 ZINC000977282237 744840461 /nfs/dbraw/zinc/84/04/61/744840461.db2.gz CFDXOJKFMUQYOB-CQSZACIVSA-N 1 2 348.451 0.383 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C)CC2(C)C)nn1 ZINC000977282237 744840463 /nfs/dbraw/zinc/84/04/63/744840463.db2.gz CFDXOJKFMUQYOB-CQSZACIVSA-N 1 2 348.451 0.383 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCCOC(C)C)C2)nn1 ZINC001105382616 744995383 /nfs/dbraw/zinc/99/53/83/744995383.db2.gz KRXKYXLIEXTQDV-UHFFFAOYSA-N 1 2 333.436 0.980 20 30 ECEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(N)=O)C1 ZINC001087477761 745027662 /nfs/dbraw/zinc/02/76/62/745027662.db2.gz GUBPPWSENJLQHS-JSGCOSHPSA-N 1 2 333.363 0.227 20 30 ECEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(N)=O)C1 ZINC001087477761 745027668 /nfs/dbraw/zinc/02/76/68/745027668.db2.gz GUBPPWSENJLQHS-JSGCOSHPSA-N 1 2 333.363 0.227 20 30 ECEDLO CN(C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(=O)c1ccc(C#N)[nH]1 ZINC000988387189 751975582 /nfs/dbraw/zinc/97/55/82/751975582.db2.gz AWNYTTDSFOMBIU-LBPRGKRZSA-N 1 2 340.387 0.773 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cn[nH]n3)nn2)C1 ZINC001000001182 745163462 /nfs/dbraw/zinc/16/34/62/745163462.db2.gz CAUNOVLIQXHQIU-LLVKDONJSA-N 1 2 336.787 0.326 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cn[nH]n3)nn2)C1 ZINC001000001182 745163468 /nfs/dbraw/zinc/16/34/68/745163468.db2.gz CAUNOVLIQXHQIU-LLVKDONJSA-N 1 2 336.787 0.326 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001000013363 745182487 /nfs/dbraw/zinc/18/24/87/745182487.db2.gz FQOJIJHMCAKHJB-DFBGVHRSSA-N 1 2 332.404 0.506 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001000013363 745182489 /nfs/dbraw/zinc/18/24/89/745182489.db2.gz FQOJIJHMCAKHJB-DFBGVHRSSA-N 1 2 332.404 0.506 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccccc2O)[C@H](OC)C1 ZINC001211860397 745295513 /nfs/dbraw/zinc/29/55/13/745295513.db2.gz ZYHKIOCBJNDEIY-XNRPHZJLSA-N 1 2 347.415 0.512 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccccc2O)[C@H](OC)C1 ZINC001211860397 745295517 /nfs/dbraw/zinc/29/55/17/745295517.db2.gz ZYHKIOCBJNDEIY-XNRPHZJLSA-N 1 2 347.415 0.512 20 30 ECEDLO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)c3[nH]nnc3C)C2)nn1 ZINC001098698849 745398682 /nfs/dbraw/zinc/39/86/82/745398682.db2.gz ZHJRNZZNAQTEOX-ZDUSSCGKSA-N 1 2 330.396 0.458 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@H]([NH2+]Cc3cnsn3)C2)nn1 ZINC001000403565 745478296 /nfs/dbraw/zinc/47/82/96/745478296.db2.gz LONJQIOVSMOCIX-NSHDSACASA-N 1 2 333.421 0.710 20 30 ECEDLO Cc1nnc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)[nH]1 ZINC000977972911 745761268 /nfs/dbraw/zinc/76/12/68/745761268.db2.gz GFNDBQOHUSOIMA-XYYAHUGASA-N 1 2 325.376 0.421 20 30 ECEDLO Cc1nnc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)[nH]1 ZINC000977972911 745761275 /nfs/dbraw/zinc/76/12/75/745761275.db2.gz GFNDBQOHUSOIMA-XYYAHUGASA-N 1 2 325.376 0.421 20 30 ECEDLO CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000984113236 745846931 /nfs/dbraw/zinc/84/69/31/745846931.db2.gz IYEYHCFRBNLHFU-OAHLLOKOSA-N 1 2 340.387 0.846 20 30 ECEDLO C[C@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)n1cncn1 ZINC001083416357 745954332 /nfs/dbraw/zinc/95/43/32/745954332.db2.gz HSDGZWVLRSJXLR-OIISXLGYSA-N 1 2 339.399 0.052 20 30 ECEDLO C[C@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)n1cncn1 ZINC001083416357 745954335 /nfs/dbraw/zinc/95/43/35/745954335.db2.gz HSDGZWVLRSJXLR-OIISXLGYSA-N 1 2 339.399 0.052 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3ocnc3C)C2)C1=O ZINC001007020910 752050838 /nfs/dbraw/zinc/05/08/38/752050838.db2.gz PEDCMDJACWDQCF-KGLIPLIRSA-N 1 2 332.404 0.964 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3ocnc3C)C2)C1=O ZINC001007020910 752050846 /nfs/dbraw/zinc/05/08/46/752050846.db2.gz PEDCMDJACWDQCF-KGLIPLIRSA-N 1 2 332.404 0.964 20 30 ECEDLO CCn1ccnc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083433378 752056307 /nfs/dbraw/zinc/05/63/07/752056307.db2.gz JLFPRIIRXUAOKQ-CVEARBPZSA-N 1 2 339.399 0.750 20 30 ECEDLO CCn1ccnc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083433378 752056309 /nfs/dbraw/zinc/05/63/09/752056309.db2.gz JLFPRIIRXUAOKQ-CVEARBPZSA-N 1 2 339.399 0.750 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@H]1CC ZINC001087729340 746255108 /nfs/dbraw/zinc/25/51/08/746255108.db2.gz WSWQSMDWSBRUDK-NOOOWODRSA-N 1 2 344.253 0.986 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@H]1CC ZINC001087729340 746255110 /nfs/dbraw/zinc/25/51/10/746255110.db2.gz WSWQSMDWSBRUDK-NOOOWODRSA-N 1 2 344.253 0.986 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@]3(F)CCOC3)C2)nn1 ZINC001098705940 746375909 /nfs/dbraw/zinc/37/59/09/746375909.db2.gz NKOQPQFBFPFZJU-HOCLYGCPSA-N 1 2 335.383 0.293 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C=C2CCCCC2)[C@H](OC)C1 ZINC001211954124 752098941 /nfs/dbraw/zinc/09/89/41/752098941.db2.gz HMHQSSPZRSICIY-USXIJHARSA-N 1 2 347.459 0.830 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C=C2CCCCC2)[C@H](OC)C1 ZINC001211954124 752098944 /nfs/dbraw/zinc/09/89/44/752098944.db2.gz HMHQSSPZRSICIY-USXIJHARSA-N 1 2 347.459 0.830 20 30 ECEDLO C=C1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nnnn4C)C[C@H]32)CC1 ZINC000978705565 746605952 /nfs/dbraw/zinc/60/59/52/746605952.db2.gz XODAWFOHUAROHT-QKDCVEJESA-N 1 2 330.436 0.751 20 30 ECEDLO C=C1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nnnn4C)C[C@H]32)CC1 ZINC000978705565 746605958 /nfs/dbraw/zinc/60/59/58/746605958.db2.gz XODAWFOHUAROHT-QKDCVEJESA-N 1 2 330.436 0.751 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](NC(=O)[C@H](C)OC)[C@H](OC)C1 ZINC001211957489 752111088 /nfs/dbraw/zinc/11/10/88/752111088.db2.gz UJWNPUAMLJUHTA-XGWLTEMNSA-N 1 2 347.415 0.917 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](NC(=O)[C@H](C)OC)[C@H](OC)C1 ZINC001211957489 752111093 /nfs/dbraw/zinc/11/10/93/752111093.db2.gz UJWNPUAMLJUHTA-XGWLTEMNSA-N 1 2 347.415 0.917 20 30 ECEDLO N#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cnon4)CC[C@@H]3C2)[nH]1 ZINC001087938822 746688676 /nfs/dbraw/zinc/68/86/76/746688676.db2.gz MDRHIVBBZMMSFU-NEPJUHHUSA-N 1 2 326.360 0.863 20 30 ECEDLO N#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4cnon4)CC[C@@H]3C2)[nH]1 ZINC001087938822 746688679 /nfs/dbraw/zinc/68/86/79/746688679.db2.gz MDRHIVBBZMMSFU-NEPJUHHUSA-N 1 2 326.360 0.863 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 ZINC001087961749 746746387 /nfs/dbraw/zinc/74/63/87/746746387.db2.gz IGLMLDRPEVEXRK-CFVMTHIKSA-N 1 2 328.420 0.465 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 ZINC001087961749 746746392 /nfs/dbraw/zinc/74/63/92/746746392.db2.gz IGLMLDRPEVEXRK-CFVMTHIKSA-N 1 2 328.420 0.465 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000984671104 746822195 /nfs/dbraw/zinc/82/21/95/746822195.db2.gz TWAUKGSQVHCCHA-OAGGEKHMSA-N 1 2 346.431 0.993 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C)nc(C)n3)C2)nn1 ZINC001105340870 746836417 /nfs/dbraw/zinc/83/64/17/746836417.db2.gz UAWYMWUEMILPCK-UHFFFAOYSA-N 1 2 325.376 0.105 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001002234246 747110117 /nfs/dbraw/zinc/11/01/17/747110117.db2.gz QVASBXZUUIRPCL-CABCVRRESA-N 1 2 332.404 0.508 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](C)C(=O)NC)nc1 ZINC001029558658 747510577 /nfs/dbraw/zinc/51/05/77/747510577.db2.gz OYQMZJZOZCEQOD-AEGPPILISA-N 1 2 326.400 0.486 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)C(=O)NC)nc1 ZINC001029558658 747510581 /nfs/dbraw/zinc/51/05/81/747510581.db2.gz OYQMZJZOZCEQOD-AEGPPILISA-N 1 2 326.400 0.486 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(N)=O ZINC001029566908 747598735 /nfs/dbraw/zinc/59/87/35/747598735.db2.gz LBKLOYRTYFPNFR-XYPHTWIQSA-N 1 2 325.412 0.759 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(N)=O ZINC001029566908 747598736 /nfs/dbraw/zinc/59/87/36/747598736.db2.gz LBKLOYRTYFPNFR-XYPHTWIQSA-N 1 2 325.412 0.759 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001029567019 747599403 /nfs/dbraw/zinc/59/94/03/747599403.db2.gz OHOIMIYQGRKSPN-HDICACEKSA-N 1 2 339.439 0.974 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001029567019 747599407 /nfs/dbraw/zinc/59/94/07/747599407.db2.gz OHOIMIYQGRKSPN-HDICACEKSA-N 1 2 339.439 0.974 20 30 ECEDLO O=C(C#CC1CC1)N1CC(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001002760773 747744891 /nfs/dbraw/zinc/74/48/91/747744891.db2.gz ALUDBOBWRADJNP-OAHLLOKOSA-N 1 2 326.400 0.434 20 30 ECEDLO O=C(C#CC1CC1)N1CC(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001002781100 747776013 /nfs/dbraw/zinc/77/60/13/747776013.db2.gz JIYQJCLCMPUKFT-HNNXBMFYSA-N 1 2 326.400 0.434 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001002898291 747931978 /nfs/dbraw/zinc/93/19/78/747931978.db2.gz CLCYVHWRSAHDCJ-KFWWJZLASA-N 1 2 346.431 0.993 20 30 ECEDLO C=CCn1cccc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000979529321 747961949 /nfs/dbraw/zinc/96/19/49/747961949.db2.gz KDLDVGHIKQLRHZ-HALDLXJZSA-N 1 2 339.399 0.827 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)c1 ZINC001007264707 752236623 /nfs/dbraw/zinc/23/66/23/752236623.db2.gz VTMYIHXEYQTURK-HIFRSBDPSA-N 1 2 346.362 0.886 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)c1 ZINC001007264707 752236629 /nfs/dbraw/zinc/23/66/29/752236629.db2.gz VTMYIHXEYQTURK-HIFRSBDPSA-N 1 2 346.362 0.886 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC000979616467 748125596 /nfs/dbraw/zinc/12/55/96/748125596.db2.gz ZTDACWBBSWNKBJ-UMSPYCQHSA-N 1 2 326.360 0.477 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)[C@H]1C ZINC001088602156 752289917 /nfs/dbraw/zinc/28/99/17/752289917.db2.gz XQXMDGRQGMTONV-UTUOFQBUSA-N 1 2 327.812 0.855 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)[C@H]1C ZINC001088602156 752289924 /nfs/dbraw/zinc/28/99/24/752289924.db2.gz XQXMDGRQGMTONV-UTUOFQBUSA-N 1 2 327.812 0.855 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2nnc(C)[nH]2)C1 ZINC001029846133 748768194 /nfs/dbraw/zinc/76/81/94/748768194.db2.gz ZRQKIJJJEKQKOO-ZNMIVQPWSA-N 1 2 333.436 0.985 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2nnc(C)[nH]2)C1 ZINC001029846133 748768200 /nfs/dbraw/zinc/76/82/00/748768200.db2.gz ZRQKIJJJEKQKOO-ZNMIVQPWSA-N 1 2 333.436 0.985 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001059646294 749095161 /nfs/dbraw/zinc/09/51/61/749095161.db2.gz PPSOBWWEBFWGFD-HNNXBMFYSA-N 1 2 346.431 0.655 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3ncccn3)CC2)CC1 ZINC000985825040 749179028 /nfs/dbraw/zinc/17/90/28/749179028.db2.gz BSSGHCDLPHNVDI-UHFFFAOYSA-N 1 2 344.419 0.158 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001004090140 749202013 /nfs/dbraw/zinc/20/20/13/749202013.db2.gz QAOIFZPQSOJQSI-GFCCVEGCSA-N 1 2 338.371 0.615 20 30 ECEDLO C#Cc1cncc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1 ZINC001004202849 749309628 /nfs/dbraw/zinc/30/96/28/749309628.db2.gz ZUKPMBAQEXOYHZ-HZPDHXFCSA-N 1 2 349.394 0.778 20 30 ECEDLO C#Cc1cncc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1 ZINC001004202849 749309633 /nfs/dbraw/zinc/30/96/33/749309633.db2.gz ZUKPMBAQEXOYHZ-HZPDHXFCSA-N 1 2 349.394 0.778 20 30 ECEDLO C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001004691561 749756654 /nfs/dbraw/zinc/75/66/54/749756654.db2.gz VNJPTHKKWQTFFG-NHYWBVRUSA-N 1 2 340.387 0.819 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]c[nH]2)cn1 ZINC001004748938 749816100 /nfs/dbraw/zinc/81/61/00/749816100.db2.gz RVXJMTADNDQFKB-ZACQAIPSSA-N 1 2 349.394 0.890 20 30 ECEDLO CN(CCN(C)c1ccc(C#N)nn1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001105433811 750079357 /nfs/dbraw/zinc/07/93/57/750079357.db2.gz CMWSZZDYVVWLBZ-UHFFFAOYSA-N 1 2 346.435 0.354 20 30 ECEDLO C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001004992965 750113646 /nfs/dbraw/zinc/11/36/46/750113646.db2.gz RCCHQGATWFASLY-SWLSCSKDSA-N 1 2 340.387 0.750 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@@H](C)OC)C2)nn1 ZINC001098640183 750479592 /nfs/dbraw/zinc/47/95/92/750479592.db2.gz FXEZVQOZMYQLEJ-ZBFHGGJFSA-N 1 2 349.435 0.216 20 30 ECEDLO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001005928070 750811221 /nfs/dbraw/zinc/81/12/21/750811221.db2.gz QRJSQCYBHWQLJA-LLVKDONJSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001005937897 750819914 /nfs/dbraw/zinc/81/99/14/750819914.db2.gz JDHCVDIDWUYKBS-JTQLQIEISA-N 1 2 326.360 0.429 20 30 ECEDLO CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001006085153 751002728 /nfs/dbraw/zinc/00/27/28/751002728.db2.gz AVPAFYABMRLMLH-AWEZNQCLSA-N 1 2 326.462 0.757 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCS(C)(=O)=O ZINC001028145933 751221229 /nfs/dbraw/zinc/22/12/29/751221229.db2.gz ZXGABHPIYQUEHO-MCIONIFRSA-N 1 2 330.450 0.203 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCS(C)(=O)=O ZINC001028145933 751221231 /nfs/dbraw/zinc/22/12/31/751221231.db2.gz ZXGABHPIYQUEHO-MCIONIFRSA-N 1 2 330.450 0.203 20 30 ECEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1OC ZINC001211999620 752365044 /nfs/dbraw/zinc/36/50/44/752365044.db2.gz ROFVEMDANUSLLC-HUUCEWRRSA-N 1 2 344.477 0.593 20 30 ECEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1OC ZINC001211999620 752365049 /nfs/dbraw/zinc/36/50/49/752365049.db2.gz ROFVEMDANUSLLC-HUUCEWRRSA-N 1 2 344.477 0.593 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3cc[nH]c3CC)[C@@H](O)C2)C1=O ZINC001083441875 752380049 /nfs/dbraw/zinc/38/00/49/752380049.db2.gz KEWDKFGBPMYCQD-PMPSAXMXSA-N 1 2 346.431 0.139 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3cc[nH]c3CC)[C@@H](O)C2)C1=O ZINC001083441875 752380054 /nfs/dbraw/zinc/38/00/54/752380054.db2.gz KEWDKFGBPMYCQD-PMPSAXMXSA-N 1 2 346.431 0.139 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001212036002 752425935 /nfs/dbraw/zinc/42/59/35/752425935.db2.gz FJZLKLCRRIGMQH-BFHYXJOUSA-N 1 2 341.452 0.308 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001212036002 752425943 /nfs/dbraw/zinc/42/59/43/752425943.db2.gz FJZLKLCRRIGMQH-BFHYXJOUSA-N 1 2 341.452 0.308 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](OC)C3CCCC3)C2)nn1 ZINC001105368141 752468313 /nfs/dbraw/zinc/46/83/13/752468313.db2.gz PTJCQNPNJIOXKU-KRWDZBQOSA-N 1 2 345.447 0.980 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@H]2C)c1 ZINC001014045008 762134514 /nfs/dbraw/zinc/13/45/14/762134514.db2.gz TUYBOJPFMYPELR-WBMJQRKESA-N 1 2 337.383 0.748 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC000938024138 752660839 /nfs/dbraw/zinc/66/08/39/752660839.db2.gz CYJNJPCSNMBCLF-LBPRGKRZSA-N 1 2 343.391 0.151 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N[C@H]1CCN(C(=O)[C@@H](C)C#N)[C@@H]1C ZINC000988749856 752678307 /nfs/dbraw/zinc/67/83/07/752678307.db2.gz BECPSHPSWXYCPO-SCRDCRAPSA-N 1 2 330.388 0.898 20 30 ECEDLO Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)nn1 ZINC001083454084 752808417 /nfs/dbraw/zinc/80/84/17/752808417.db2.gz MZVMEDYKDQBDTA-SJORKVTESA-N 1 2 337.383 0.632 20 30 ECEDLO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)nn1 ZINC001083454084 752808422 /nfs/dbraw/zinc/80/84/22/752808422.db2.gz MZVMEDYKDQBDTA-SJORKVTESA-N 1 2 337.383 0.632 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@H](O)C2)C1 ZINC000991616950 762175983 /nfs/dbraw/zinc/17/59/83/762175983.db2.gz VDBNPNKATRYFPB-HUUCEWRRSA-N 1 2 346.431 0.397 20 30 ECEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCNC1=O ZINC001008182177 753433461 /nfs/dbraw/zinc/43/34/61/753433461.db2.gz JKTAJCAKCFFUID-SJORKVTESA-N 1 2 343.402 0.894 20 30 ECEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCNC1=O ZINC001008182177 753433463 /nfs/dbraw/zinc/43/34/63/753433463.db2.gz JKTAJCAKCFFUID-SJORKVTESA-N 1 2 343.402 0.894 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000982740220 753451444 /nfs/dbraw/zinc/45/14/44/753451444.db2.gz VPGCKDDMDHSZNX-RRFJBIMHSA-N 1 2 326.400 0.891 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000982740220 753451451 /nfs/dbraw/zinc/45/14/51/753451451.db2.gz VPGCKDDMDHSZNX-RRFJBIMHSA-N 1 2 326.400 0.891 20 30 ECEDLO Cn1nnc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)n1 ZINC001008216687 753475309 /nfs/dbraw/zinc/47/53/09/753475309.db2.gz YZATVSSVTKFEOS-CQSZACIVSA-N 1 2 325.376 0.476 20 30 ECEDLO Cn1nnc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC001008216687 753475314 /nfs/dbraw/zinc/47/53/14/753475314.db2.gz YZATVSSVTKFEOS-CQSZACIVSA-N 1 2 325.376 0.476 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O)[C@@H]1CCOC1 ZINC001083361263 753678464 /nfs/dbraw/zinc/67/84/64/753678464.db2.gz LJVIJLPCNGYMII-OIISXLGYSA-N 1 2 332.375 0.375 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O)[C@@H]1CCOC1 ZINC001083361263 753678465 /nfs/dbraw/zinc/67/84/65/753678465.db2.gz LJVIJLPCNGYMII-OIISXLGYSA-N 1 2 332.375 0.375 20 30 ECEDLO Cn1cc(CC(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)cn1 ZINC001083364584 753689008 /nfs/dbraw/zinc/68/90/08/753689008.db2.gz VNFSRVZGJWTXLQ-MSOLQXFVSA-N 1 2 338.411 0.176 20 30 ECEDLO Cn1cc(CC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)cn1 ZINC001083364584 753689010 /nfs/dbraw/zinc/68/90/10/753689010.db2.gz VNFSRVZGJWTXLQ-MSOLQXFVSA-N 1 2 338.411 0.176 20 30 ECEDLO CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001105488263 753726800 /nfs/dbraw/zinc/72/68/00/753726800.db2.gz MSLSLECAUZLDPJ-CYBMUJFWSA-N 1 2 339.403 0.702 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001014099876 762245843 /nfs/dbraw/zinc/24/58/43/762245843.db2.gz DCQLWJZKXVTTEL-YGRLFVJLSA-N 1 2 326.360 0.571 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCN(C)c1cnc(C#N)cn1 ZINC001105577892 753852464 /nfs/dbraw/zinc/85/24/64/753852464.db2.gz ZNYZDAKLUAOGON-LBPRGKRZSA-N 1 2 327.392 0.845 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCN(C)c1cnc(C#N)cn1 ZINC001105577892 753852473 /nfs/dbraw/zinc/85/24/73/753852473.db2.gz ZNYZDAKLUAOGON-LBPRGKRZSA-N 1 2 327.392 0.845 20 30 ECEDLO C#CCNC(=O)CC(=O)N1CC[C@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001111604856 753852893 /nfs/dbraw/zinc/85/28/93/753852893.db2.gz HSVPTYWNOOFLFL-AWEZNQCLSA-N 1 2 329.404 0.575 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CN2CCC(=O)NC2=O)CC1 ZINC000989431326 753901114 /nfs/dbraw/zinc/90/11/14/753901114.db2.gz RCYSBQMVUCEPFZ-UHFFFAOYSA-N 1 2 328.800 0.215 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CN2CCC(=O)NC2=O)CC1 ZINC000989431326 753901122 /nfs/dbraw/zinc/90/11/22/753901122.db2.gz RCYSBQMVUCEPFZ-UHFFFAOYSA-N 1 2 328.800 0.215 20 30 ECEDLO CC1(C)CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001008650250 753990019 /nfs/dbraw/zinc/99/00/19/753990019.db2.gz JHVXTTQVZICRQN-CQSZACIVSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H](CCNC(=O)CSCC#N)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001075677969 754015060 /nfs/dbraw/zinc/01/50/60/754015060.db2.gz GZQFEOZHCGCKTO-STQMWFEESA-N 1 2 349.460 0.713 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3CC3)C2)nn1 ZINC001008800172 754131181 /nfs/dbraw/zinc/13/11/81/754131181.db2.gz OIPMYBIWRDHQGB-JSGCOSHPSA-N 1 2 346.435 0.325 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)nn1 ZINC001008800172 754131188 /nfs/dbraw/zinc/13/11/88/754131188.db2.gz OIPMYBIWRDHQGB-JSGCOSHPSA-N 1 2 346.435 0.325 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1 ZINC000989628010 754215826 /nfs/dbraw/zinc/21/58/26/754215826.db2.gz PCDYAZQZFSFMMT-LLVKDONJSA-N 1 2 328.800 0.261 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1 ZINC000989628010 754215832 /nfs/dbraw/zinc/21/58/32/754215832.db2.gz PCDYAZQZFSFMMT-LLVKDONJSA-N 1 2 328.800 0.261 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000983034402 754478568 /nfs/dbraw/zinc/47/85/68/754478568.db2.gz UINGHMWKGLFKFW-OAGGEKHMSA-N 1 2 346.431 0.829 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccn(C)c2)[C@H](OC)C1 ZINC001212117258 754694205 /nfs/dbraw/zinc/69/42/05/754694205.db2.gz PSHLGYNHSSWPPO-BPLDGKMQSA-N 1 2 334.420 0.145 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccn(C)c2)[C@H](OC)C1 ZINC001212117258 754694210 /nfs/dbraw/zinc/69/42/10/754694210.db2.gz PSHLGYNHSSWPPO-BPLDGKMQSA-N 1 2 334.420 0.145 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)cn1 ZINC001009278097 754736811 /nfs/dbraw/zinc/73/68/11/754736811.db2.gz SVBGRSHUEXNSOT-CABCVRRESA-N 1 2 340.383 0.062 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCC(=O)NC3=O)C2)cn1 ZINC001009278097 754736815 /nfs/dbraw/zinc/73/68/15/754736815.db2.gz SVBGRSHUEXNSOT-CABCVRRESA-N 1 2 340.383 0.062 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3ccnc(C)n3)C2)C1=O ZINC001009553166 754999089 /nfs/dbraw/zinc/99/90/89/754999089.db2.gz RNLROXQYGUOUPQ-ZBFHGGJFSA-N 1 2 343.431 0.766 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3ccnc(C)n3)C2)C1=O ZINC001009553166 754999091 /nfs/dbraw/zinc/99/90/91/754999091.db2.gz RNLROXQYGUOUPQ-ZBFHGGJFSA-N 1 2 343.431 0.766 20 30 ECEDLO CS(=O)(=O)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC001075700483 755075367 /nfs/dbraw/zinc/07/53/67/755075367.db2.gz SGYQWFRBNKFUKC-SMDDNHRTSA-N 1 2 336.417 0.077 20 30 ECEDLO CS(=O)(=O)CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC001075700483 755075372 /nfs/dbraw/zinc/07/53/72/755075372.db2.gz SGYQWFRBNKFUKC-SMDDNHRTSA-N 1 2 336.417 0.077 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000990431537 755164068 /nfs/dbraw/zinc/16/40/68/755164068.db2.gz WNYCWJKSHOHPAG-MFKMUULPSA-N 1 2 326.360 0.571 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@@H]3CC(C)(C)CO3)C2)nn1 ZINC001098690308 755263059 /nfs/dbraw/zinc/26/30/59/755263059.db2.gz LMRFSTGYOXJOOU-HZPDHXFCSA-N 1 2 345.447 0.980 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3cnn(CC)n3)C2)nn1 ZINC001028852443 755311117 /nfs/dbraw/zinc/31/11/17/755311117.db2.gz JEHORODBXARMAN-CYBMUJFWSA-N 1 2 344.423 0.327 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3cnn(CC)n3)C2)nn1 ZINC001028852443 755311123 /nfs/dbraw/zinc/31/11/23/755311123.db2.gz JEHORODBXARMAN-CYBMUJFWSA-N 1 2 344.423 0.327 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000983366646 755420234 /nfs/dbraw/zinc/42/02/34/755420234.db2.gz BDNUWFCWWRVNGC-CFVMTHIKSA-N 1 2 332.404 0.508 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC000983371382 755444148 /nfs/dbraw/zinc/44/41/48/755444148.db2.gz YDEXURLNNWILJZ-GFCCVEGCSA-N 1 2 343.391 0.008 20 30 ECEDLO CO[C@]1(c2nnc(C[NH2+]CCNC(=O)C#CC(C)C)o2)CCOC1 ZINC001126815655 755514343 /nfs/dbraw/zinc/51/43/43/755514343.db2.gz HDBUHLMMOYTQGG-MRXNPFEDSA-N 1 2 336.392 0.197 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](NC(=O)c2cc[nH]c2)[C@@H](O)C1 ZINC001083478924 755612407 /nfs/dbraw/zinc/61/24/07/755612407.db2.gz LWWMMGSDYYVIKF-CVEARBPZSA-N 1 2 340.383 0.870 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c2)[C@@H](O)C1 ZINC001083478924 755612410 /nfs/dbraw/zinc/61/24/10/755612410.db2.gz LWWMMGSDYYVIKF-CVEARBPZSA-N 1 2 340.383 0.870 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cc(C)ncn3)C2)nn1 ZINC001098655736 755645154 /nfs/dbraw/zinc/64/51/54/755645154.db2.gz JQHFUNOXGXTZFQ-AWEZNQCLSA-N 1 2 325.376 0.187 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCN(C)C2=O)[C@H]1C ZINC001088804245 755750027 /nfs/dbraw/zinc/75/00/27/755750027.db2.gz NGCOWXDTJCWVIK-WOPDTQHZSA-N 1 2 344.253 0.952 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCN(C)C2=O)[C@H]1C ZINC001088804245 755750029 /nfs/dbraw/zinc/75/00/29/755750029.db2.gz NGCOWXDTJCWVIK-WOPDTQHZSA-N 1 2 344.253 0.952 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CO[C@H](C)CC)C2)nn1 ZINC001098659435 755819471 /nfs/dbraw/zinc/81/94/71/755819471.db2.gz PCMCOTHBQUPOPJ-ZBFHGGJFSA-N 1 2 333.436 0.980 20 30 ECEDLO CCc1noc([C@H](C)[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC001051597956 762431301 /nfs/dbraw/zinc/43/13/01/762431301.db2.gz DLNAZYUCIBDROE-JSGCOSHPSA-N 1 2 332.404 0.923 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C/C(Cl)=C\Cl)C[C@@H]1O ZINC001083535789 755975212 /nfs/dbraw/zinc/97/52/12/755975212.db2.gz MBHLIQZEFCJKID-BHIVFPANSA-N 1 2 346.258 0.564 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C/C(Cl)=C\Cl)C[C@@H]1O ZINC001083535789 755975214 /nfs/dbraw/zinc/97/52/14/755975214.db2.gz MBHLIQZEFCJKID-BHIVFPANSA-N 1 2 346.258 0.564 20 30 ECEDLO C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001076071677 756057794 /nfs/dbraw/zinc/05/77/94/756057794.db2.gz WGMKEKBQIMLTJN-NSHDSACASA-N 1 2 328.376 0.867 20 30 ECEDLO O=C(C#CC1CC1)N1CCO[C@@H](C[NH2+]Cc2nc(C(F)F)no2)C1 ZINC001051609702 762459499 /nfs/dbraw/zinc/45/94/99/762459499.db2.gz ZQNYKCJCDAKVKJ-NSHDSACASA-N 1 2 340.330 0.738 20 30 ECEDLO C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001010688260 756399424 /nfs/dbraw/zinc/39/94/24/756399424.db2.gz IQGZJMKRRWDJBE-HIFRSBDPSA-N 1 2 343.431 0.949 20 30 ECEDLO C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001010688260 756399430 /nfs/dbraw/zinc/39/94/30/756399430.db2.gz IQGZJMKRRWDJBE-HIFRSBDPSA-N 1 2 343.431 0.949 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C(C)(C)C3CCC3)[C@@H](O)C2)C1=O ZINC001083676113 762466564 /nfs/dbraw/zinc/46/65/64/762466564.db2.gz JXYNFOQINSOBCX-PMPSAXMXSA-N 1 2 349.475 0.761 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C(C)(C)C3CCC3)[C@@H](O)C2)C1=O ZINC001083676113 762466568 /nfs/dbraw/zinc/46/65/68/762466568.db2.gz JXYNFOQINSOBCX-PMPSAXMXSA-N 1 2 349.475 0.761 20 30 ECEDLO CC(=O)N1CC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001010758725 756488528 /nfs/dbraw/zinc/48/85/28/756488528.db2.gz KZRVKTHHCSEQPW-KRWDZBQOSA-N 1 2 326.400 0.727 20 30 ECEDLO CC(=O)N1CC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001010758725 756488532 /nfs/dbraw/zinc/48/85/32/756488532.db2.gz KZRVKTHHCSEQPW-KRWDZBQOSA-N 1 2 326.400 0.727 20 30 ECEDLO Cn1oc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)cc1=O ZINC001010772684 756504386 /nfs/dbraw/zinc/50/43/86/756504386.db2.gz ISWJMNWMOYWJFT-ZDUSSCGKSA-N 1 2 344.346 0.993 20 30 ECEDLO Cn1oc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)cc1=O ZINC001010772684 756504392 /nfs/dbraw/zinc/50/43/92/756504392.db2.gz ISWJMNWMOYWJFT-ZDUSSCGKSA-N 1 2 344.346 0.993 20 30 ECEDLO Cn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)nn1 ZINC001010849689 756599528 /nfs/dbraw/zinc/59/95/28/756599528.db2.gz HJVADYGLFGCYQN-CYBMUJFWSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)nn1 ZINC001010849689 756599531 /nfs/dbraw/zinc/59/95/31/756599531.db2.gz HJVADYGLFGCYQN-CYBMUJFWSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1cnc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC001010867979 756616574 /nfs/dbraw/zinc/61/65/74/756616574.db2.gz FAECWHWPMFQYCG-ZDUSSCGKSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC001010867979 756616578 /nfs/dbraw/zinc/61/65/78/756616578.db2.gz FAECWHWPMFQYCG-ZDUSSCGKSA-N 1 2 328.351 0.830 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cn(CC(F)F)nc2C)[C@@H](O)C1 ZINC001083550104 756660751 /nfs/dbraw/zinc/66/07/51/756660751.db2.gz QRQCLIJKZJWKLY-OLZOCXBDSA-N 1 2 326.347 0.255 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cn(CC(F)F)nc2C)[C@@H](O)C1 ZINC001083550104 756660754 /nfs/dbraw/zinc/66/07/54/756660754.db2.gz QRQCLIJKZJWKLY-OLZOCXBDSA-N 1 2 326.347 0.255 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@]2(C)CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001010986028 756728094 /nfs/dbraw/zinc/72/80/94/756728094.db2.gz JWCQWIMILPHYFL-XYPHTWIQSA-N 1 2 329.404 0.740 20 30 ECEDLO N#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)[nH]1 ZINC000990895357 756737818 /nfs/dbraw/zinc/73/78/18/756737818.db2.gz MPUBLXNLUIVDOM-GFCCVEGCSA-N 1 2 338.371 0.670 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@]2(C)CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC001011000238 756745932 /nfs/dbraw/zinc/74/59/32/756745932.db2.gz TXSBAVRJKVXOME-JLZZUVOBSA-N 1 2 329.404 0.809 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3nccc(C)n3)C2)nn1 ZINC001098664926 756752483 /nfs/dbraw/zinc/75/24/83/756752483.db2.gz RQEFHYVYZGTVGW-HNNXBMFYSA-N 1 2 339.403 0.577 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3CCCC3)C2)C1=O ZINC001076697952 756873812 /nfs/dbraw/zinc/87/38/12/756873812.db2.gz PIKDKXGOZWWSKJ-OWCLPIDISA-N 1 2 335.448 0.515 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC3CCCC3)C2)C1=O ZINC001076697952 756873819 /nfs/dbraw/zinc/87/38/19/756873819.db2.gz PIKDKXGOZWWSKJ-OWCLPIDISA-N 1 2 335.448 0.515 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cccc(F)c3)C2)C1=O ZINC001076703934 756891699 /nfs/dbraw/zinc/89/16/99/756891699.db2.gz OCFGKINGMVIDGW-OWCLPIDISA-N 1 2 347.390 0.388 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3cccc(F)c3)C2)C1=O ZINC001076703934 756891703 /nfs/dbraw/zinc/89/17/03/756891703.db2.gz OCFGKINGMVIDGW-OWCLPIDISA-N 1 2 347.390 0.388 20 30 ECEDLO N#Cc1ccc(NC[C@H](O)CNC(=O)CCCn2cc[nH+]c2)nc1 ZINC001105894736 762496020 /nfs/dbraw/zinc/49/60/20/762496020.db2.gz SNVDBAJICUZQGQ-AWEZNQCLSA-N 1 2 328.376 0.519 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001076725051 756918706 /nfs/dbraw/zinc/91/87/06/756918706.db2.gz CXDLJDVKOXGLMK-XEZPLFJOSA-N 1 2 334.420 0.944 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1c1cncc(C#N)n1 ZINC001048797295 757030242 /nfs/dbraw/zinc/03/02/42/757030242.db2.gz MAODCBVUAJEXFD-QWHCGFSZSA-N 1 2 325.376 0.788 20 30 ECEDLO C=CCOCC(=O)NCc1cn(C2C[NH+](CCOC3CCC3)C2)nn1 ZINC001107146759 757043833 /nfs/dbraw/zinc/04/38/33/757043833.db2.gz QALVJAVUEWHZAQ-UHFFFAOYSA-N 1 2 349.435 0.523 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@@H]2C[N@@H+](Cc3nnc4n3CCOC4)C[C@@H]2C1 ZINC001048810430 757068352 /nfs/dbraw/zinc/06/83/52/757068352.db2.gz MMLMKQKEHCSQKX-GASCZTMLSA-N 1 2 341.415 0.112 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@@H]2C[N@H+](Cc3nnc4n3CCOC4)C[C@@H]2C1 ZINC001048810430 757068361 /nfs/dbraw/zinc/06/83/61/757068361.db2.gz MMLMKQKEHCSQKX-GASCZTMLSA-N 1 2 341.415 0.112 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCc3ncc[nH]3)nn2)C1 ZINC001107164105 757197991 /nfs/dbraw/zinc/19/79/91/757197991.db2.gz PZPLUOKQIBZMKW-UHFFFAOYSA-N 1 2 329.408 0.683 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)CC3(O)CCC3)nn2)C1 ZINC001107170003 757207993 /nfs/dbraw/zinc/20/79/93/757207993.db2.gz YTCSFPGCCOQWEP-UHFFFAOYSA-N 1 2 349.435 0.259 20 30 ECEDLO O=C(C#CC1CC1)NCc1cn(C2C[NH+](C[C@@H]3CCCCO3)C2)nn1 ZINC001107171447 757218530 /nfs/dbraw/zinc/21/85/30/757218530.db2.gz ZIDGQNKQVMNNGE-KRWDZBQOSA-N 1 2 343.431 0.734 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)Cc3ccncc3C)nn2)C1 ZINC001107172617 757222627 /nfs/dbraw/zinc/22/26/27/757222627.db2.gz DHBLLPGQANTVGB-UHFFFAOYSA-N 1 2 338.415 0.720 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](OCC)C3CC3)nn2)C1 ZINC001107173004 757276457 /nfs/dbraw/zinc/27/64/57/757276457.db2.gz WVAPNLOOONOPHK-MRXNPFEDSA-N 1 2 331.420 0.589 20 30 ECEDLO C=C(Cl)CN1CC(n2cc(CNC(=O)CCn3cc[nH+]c3)nn2)C1 ZINC001107191401 757445422 /nfs/dbraw/zinc/44/54/22/757445422.db2.gz USGLUBSYPPNIIH-UHFFFAOYSA-N 1 2 349.826 0.790 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3csnn3)C(C)(C)C2)nn1 ZINC000996390417 757522310 /nfs/dbraw/zinc/52/23/10/757522310.db2.gz ULTQAIXNICOMHV-ZDUSSCGKSA-N 1 2 347.448 0.956 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4nnnn4C)C[C@@H]3C2)cc1 ZINC001048972913 757559882 /nfs/dbraw/zinc/55/98/82/757559882.db2.gz BGUCLXVXBPGYOW-IYBDPMFKSA-N 1 2 336.399 0.395 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4nnnn4C)C[C@@H]3C2)cc1 ZINC001048972913 757559890 /nfs/dbraw/zinc/55/98/90/757559890.db2.gz BGUCLXVXBPGYOW-IYBDPMFKSA-N 1 2 336.399 0.395 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C3(CF)CCOCC3)nn2)C1 ZINC001107211450 757700951 /nfs/dbraw/zinc/70/09/51/757700951.db2.gz SEOCHIUYRFJJRS-UHFFFAOYSA-N 1 2 337.399 0.703 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](NC(C)=O)C(C)(C)C)nn2)C1 ZINC001107241956 757998260 /nfs/dbraw/zinc/99/82/60/757998260.db2.gz JWTCNBKGWXPPFD-OAHLLOKOSA-N 1 2 348.451 0.488 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)c3cnn(C)c3)nn2)C1 ZINC001107244174 758005651 /nfs/dbraw/zinc/00/56/51/758005651.db2.gz PMOGZQBKYVUNJX-ZDUSSCGKSA-N 1 2 341.419 0.312 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001011568470 758023497 /nfs/dbraw/zinc/02/34/97/758023497.db2.gz QVSJRTIRPZAEIK-CYBMUJFWSA-N 1 2 338.371 0.711 20 30 ECEDLO CN(C)c1nc(C[NH2+][C@H]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)ns1 ZINC001021984514 758130289 /nfs/dbraw/zinc/13/02/89/758130289.db2.gz WCBPESPKFTTXOT-PHIMTYICSA-N 1 2 345.432 0.854 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001011623054 758154951 /nfs/dbraw/zinc/15/49/51/758154951.db2.gz UNWXIAIWCPDJDG-GDBMZVCRSA-N 1 2 348.447 0.318 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001011623054 758154956 /nfs/dbraw/zinc/15/49/56/758154956.db2.gz UNWXIAIWCPDJDG-GDBMZVCRSA-N 1 2 348.447 0.318 20 30 ECEDLO Cn1nnnc1C[N@@H+]1CC[C@@]2(CNC(=O)CSCC#N)CCC[C@@H]12 ZINC001107289500 758177708 /nfs/dbraw/zinc/17/77/08/758177708.db2.gz AWRQTZQZFVIXBU-IUODEOHRSA-N 1 2 349.464 0.328 20 30 ECEDLO Cn1nnnc1C[N@H+]1CC[C@@]2(CNC(=O)CSCC#N)CCC[C@@H]12 ZINC001107289500 758177714 /nfs/dbraw/zinc/17/77/14/758177714.db2.gz AWRQTZQZFVIXBU-IUODEOHRSA-N 1 2 349.464 0.328 20 30 ECEDLO C[C@@H](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)NC(=O)C#CC1CC1 ZINC001077114221 758218355 /nfs/dbraw/zinc/21/83/55/758218355.db2.gz KSVIHYPNOAIVED-ZFWWWQNUSA-N 1 2 328.416 0.870 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H]1C ZINC001011660483 758231751 /nfs/dbraw/zinc/23/17/51/758231751.db2.gz ATOPDDNRHKKNHO-AAEUAGOBSA-N 1 2 340.387 0.880 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001011662928 758239631 /nfs/dbraw/zinc/23/96/31/758239631.db2.gz ZAMNYCWTHCCFTN-FZMZJTMJSA-N 1 2 340.387 0.582 20 30 ECEDLO C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@@H]1O ZINC001049180596 758241042 /nfs/dbraw/zinc/24/10/42/758241042.db2.gz MDCTZSXIWZBAAR-QEJZJMRPSA-N 1 2 348.447 0.831 20 30 ECEDLO C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001049180596 758241053 /nfs/dbraw/zinc/24/10/53/758241053.db2.gz MDCTZSXIWZBAAR-QEJZJMRPSA-N 1 2 348.447 0.831 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC001011670138 758261462 /nfs/dbraw/zinc/26/14/62/758261462.db2.gz YNWWFMXJJKLOTQ-SMDDNHRTSA-N 1 2 340.387 0.880 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1O ZINC001077133741 758304023 /nfs/dbraw/zinc/30/40/23/758304023.db2.gz ZDBHVTNODSKGCK-GDBMZVCRSA-N 1 2 346.431 0.070 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1O ZINC001077133741 758304032 /nfs/dbraw/zinc/30/40/32/758304032.db2.gz ZDBHVTNODSKGCK-GDBMZVCRSA-N 1 2 346.431 0.070 20 30 ECEDLO N#Cc1nccnc1NC/C=C\CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001107390288 758417494 /nfs/dbraw/zinc/41/74/94/758417494.db2.gz UEDYUTBTFBNKAS-UIIMQBOASA-N 1 2 337.387 0.892 20 30 ECEDLO N#Cc1cncc(NC/C=C/CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)n1 ZINC001107395046 758453210 /nfs/dbraw/zinc/45/32/10/758453210.db2.gz UNEBXSFRYCKCIK-ZIYVKSGCSA-N 1 2 337.387 0.892 20 30 ECEDLO C[C@@H](NC(=O)CSCC#N)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001051671561 762655094 /nfs/dbraw/zinc/65/50/94/762655094.db2.gz JSEYYOSRIOJBPN-NEPJUHHUSA-N 1 2 335.433 0.562 20 30 ECEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC)C[C@@H]1O ZINC001083578325 759050314 /nfs/dbraw/zinc/05/03/14/759050314.db2.gz GRVZARFHKWTLBX-CFVMTHIKSA-N 1 2 347.415 0.161 20 30 ECEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC)C[C@@H]1O ZINC001083578325 759050321 /nfs/dbraw/zinc/05/03/21/759050321.db2.gz GRVZARFHKWTLBX-CFVMTHIKSA-N 1 2 347.415 0.161 20 30 ECEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCOC3)CC2)C1 ZINC001105694016 759086856 /nfs/dbraw/zinc/08/68/56/759086856.db2.gz KTNAVUDACVTTST-OAHLLOKOSA-N 1 2 338.448 0.917 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)n([C@H](C)C3CC3)n2)[C@@H](O)C1 ZINC001083590949 759145159 /nfs/dbraw/zinc/14/51/59/759145159.db2.gz DDDQOCNNJHMPGL-XYPHTWIQSA-N 1 2 330.432 0.961 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)n([C@H](C)C3CC3)n2)[C@@H](O)C1 ZINC001083590949 759145165 /nfs/dbraw/zinc/14/51/65/759145165.db2.gz DDDQOCNNJHMPGL-XYPHTWIQSA-N 1 2 330.432 0.961 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001022834247 759155090 /nfs/dbraw/zinc/15/50/90/759155090.db2.gz JWCLHXIDGVPPLU-XFMPKHEZSA-N 1 2 334.424 0.318 20 30 ECEDLO C=C(Br)CN1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047646830 759400758 /nfs/dbraw/zinc/40/07/58/759400758.db2.gz LSPRBTTZRUBUGL-RYUDHWBXSA-N 1 2 343.225 0.295 20 30 ECEDLO Cc1nc[nH]c1C(=O)N(C)[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047652586 759414690 /nfs/dbraw/zinc/41/46/90/759414690.db2.gz VGDRIZAOYIZTRX-HOTGVXAUSA-N 1 2 339.399 0.907 20 30 ECEDLO Cc1nc[nH]c1C(=O)N(C)[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047652586 759414698 /nfs/dbraw/zinc/41/46/98/759414698.db2.gz VGDRIZAOYIZTRX-HOTGVXAUSA-N 1 2 339.399 0.907 20 30 ECEDLO CCN1CCO[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001032201439 759568424 /nfs/dbraw/zinc/56/84/24/759568424.db2.gz DGWKHSXDHREGAH-SFHVURJKSA-N 1 2 342.443 0.827 20 30 ECEDLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001050097110 759694711 /nfs/dbraw/zinc/69/47/11/759694711.db2.gz CXQABZWMQZRWLO-VXGBXAGGSA-N 1 2 335.433 0.562 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC3(COC)CC3)C2)nn1 ZINC001098672233 759764863 /nfs/dbraw/zinc/76/48/63/759764863.db2.gz CMJGJPJUMHFNHJ-HNNXBMFYSA-N 1 2 331.420 0.591 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2cc(=O)n3[nH]ccc3n2)C(C)(C)C1 ZINC000995584102 759835675 /nfs/dbraw/zinc/83/56/75/759835675.db2.gz SHCXRDUYSVRYGQ-WCQYABFASA-N 1 2 342.403 0.509 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)[C@@H](O)C1 ZINC001083635611 759946869 /nfs/dbraw/zinc/94/68/69/759946869.db2.gz BQBPXUMZOWODSM-RCJHGTSTSA-N 1 2 326.396 0.521 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)[C@@H](O)C1 ZINC001083635611 759946872 /nfs/dbraw/zinc/94/68/72/759946872.db2.gz BQBPXUMZOWODSM-RCJHGTSTSA-N 1 2 326.396 0.521 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001012444689 760012146 /nfs/dbraw/zinc/01/21/46/760012146.db2.gz CYSSUOFKSIBAHX-GWCFXTLKSA-N 1 2 326.360 0.571 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001012444338 760012636 /nfs/dbraw/zinc/01/26/36/760012636.db2.gz BAUKHCISLRBMDE-JQWIXIFHSA-N 1 2 326.360 0.571 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001012491627 760080017 /nfs/dbraw/zinc/08/00/17/760080017.db2.gz ZPIBUGIZPNQAFW-GXFFZTMASA-N 1 2 326.360 0.571 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001012500519 760105927 /nfs/dbraw/zinc/10/59/27/760105927.db2.gz JTVXLOJBQITKOR-BXUZGUMPSA-N 1 2 326.360 0.502 20 30 ECEDLO N#Cc1cc(C(=O)NCC2=CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)c[nH]1 ZINC001017398395 767931397 /nfs/dbraw/zinc/93/13/97/767931397.db2.gz RJKVYULPQLHVLN-UHFFFAOYSA-N 1 2 338.371 0.741 20 30 ECEDLO C[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@H]2CNc2ccc(C#N)nn2)C1 ZINC001060225618 760502055 /nfs/dbraw/zinc/50/20/55/760502055.db2.gz VTIKDWMLJBUYDO-LSDHHAIUSA-N 1 2 344.419 0.472 20 30 ECEDLO C[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@H]2CNc2ccc(C#N)nn2)C1 ZINC001060225618 760502064 /nfs/dbraw/zinc/50/20/64/760502064.db2.gz VTIKDWMLJBUYDO-LSDHHAIUSA-N 1 2 344.419 0.472 20 30 ECEDLO CC(C)=CC[NH+]1CC(n2cc(CNC(=O)CSCC#N)nn2)C1 ZINC001107129554 760522207 /nfs/dbraw/zinc/52/22/07/760522207.db2.gz DORCMPGCOLXLKK-UHFFFAOYSA-N 1 2 334.449 0.974 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cscn1)C2 ZINC001111495860 760525071 /nfs/dbraw/zinc/52/50/71/760525071.db2.gz CNFYSZVWJHPRIN-KFWWJZLASA-N 1 2 346.456 0.547 20 30 ECEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1cscn1)C2 ZINC001111495860 760525074 /nfs/dbraw/zinc/52/50/74/760525074.db2.gz CNFYSZVWJHPRIN-KFWWJZLASA-N 1 2 346.456 0.547 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)[C@@H](O)C1 ZINC001083651341 760532185 /nfs/dbraw/zinc/53/21/85/760532185.db2.gz OVQPIZHHJLUFHH-BDXSIMOUSA-N 1 2 328.412 0.571 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)[C@@H](O)C1 ZINC001083651341 760532196 /nfs/dbraw/zinc/53/21/96/760532196.db2.gz OVQPIZHHJLUFHH-BDXSIMOUSA-N 1 2 328.412 0.571 20 30 ECEDLO Cc1cccn2cc(CC(=O)NC3CN(C(=O)[C@H](C)C#N)C3)[nH+]c12 ZINC000995733534 760546100 /nfs/dbraw/zinc/54/61/00/760546100.db2.gz GEUCMZWYQAOVPR-GFCCVEGCSA-N 1 2 325.372 0.672 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)n3cccn3)nn2)C1 ZINC001107135108 760577700 /nfs/dbraw/zinc/57/77/00/760577700.db2.gz NAJRMJUOALXHJA-ZDUSSCGKSA-N 1 2 327.392 0.232 20 30 ECEDLO CN(C)c1noc(C[NH2+][C@@H]2CN(C(=O)C#CC3CC3)CC2(C)C)n1 ZINC000995791515 760652343 /nfs/dbraw/zinc/65/23/43/760652343.db2.gz HZWYEJSSGXGIBW-CYBMUJFWSA-N 1 2 331.420 0.876 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001050730457 760745977 /nfs/dbraw/zinc/74/59/77/760745977.db2.gz WXWIYQXAZJFJLY-DZGCQCFKSA-N 1 2 346.431 0.654 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001013048995 761009478 /nfs/dbraw/zinc/00/94/78/761009478.db2.gz LMBKIUZSBVAVMU-CZUORRHYSA-N 1 2 337.383 0.679 20 30 ECEDLO COc1nc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)co1 ZINC001083675143 761038888 /nfs/dbraw/zinc/03/88/88/761038888.db2.gz NSPNZZDWPLIVLI-HIFRSBDPSA-N 1 2 342.355 0.530 20 30 ECEDLO COc1nc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)co1 ZINC001083675143 761038894 /nfs/dbraw/zinc/03/88/94/761038894.db2.gz NSPNZZDWPLIVLI-HIFRSBDPSA-N 1 2 342.355 0.530 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C4CC4)n3C)C[C@@H]2C1 ZINC001048726614 761051746 /nfs/dbraw/zinc/05/17/46/761051746.db2.gz FZYBUFJFOOIDAP-FPMFFAJLSA-N 1 2 328.420 0.742 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C4CC4)n3C)C[C@@H]2C1 ZINC001048726614 761051752 /nfs/dbraw/zinc/05/17/52/761051752.db2.gz FZYBUFJFOOIDAP-FPMFFAJLSA-N 1 2 328.420 0.742 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1OC ZINC001212143559 761079459 /nfs/dbraw/zinc/07/94/59/761079459.db2.gz IQFYDCUZBLQHLP-IAGOWNOFSA-N 1 2 349.475 0.864 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1OC ZINC001212143559 761079467 /nfs/dbraw/zinc/07/94/67/761079467.db2.gz IQFYDCUZBLQHLP-IAGOWNOFSA-N 1 2 349.475 0.864 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2CCCC(=O)N2)s1 ZINC001038388780 761140875 /nfs/dbraw/zinc/14/08/75/761140875.db2.gz OYOVBZFDCVSXQO-BXUZGUMPSA-N 1 2 332.429 0.979 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2CCCC(=O)N2)s1 ZINC001038388780 761140878 /nfs/dbraw/zinc/14/08/78/761140878.db2.gz OYOVBZFDCVSXQO-BXUZGUMPSA-N 1 2 332.429 0.979 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCN1c1ncccn1 ZINC001050964562 761234520 /nfs/dbraw/zinc/23/45/20/761234520.db2.gz HGOGEVYORZILGC-CVEARBPZSA-N 1 2 345.447 0.839 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCN1c1ncccn1 ZINC001050964562 761234524 /nfs/dbraw/zinc/23/45/24/761234524.db2.gz HGOGEVYORZILGC-CVEARBPZSA-N 1 2 345.447 0.839 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1OCC(N)=O ZINC001051010899 761331035 /nfs/dbraw/zinc/33/10/35/761331035.db2.gz FHTGZPZUEVXGSA-AWEZNQCLSA-N 1 2 347.415 0.557 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1OCC(N)=O ZINC001051010899 761331042 /nfs/dbraw/zinc/33/10/42/761331042.db2.gz FHTGZPZUEVXGSA-AWEZNQCLSA-N 1 2 347.415 0.557 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@H]([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001051016742 761343054 /nfs/dbraw/zinc/34/30/54/761343054.db2.gz IIUSEYNYPHRTEU-KGLIPLIRSA-N 1 2 334.420 0.898 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cnc2c(c1)nnn2C ZINC001051026178 761357732 /nfs/dbraw/zinc/35/77/32/761357732.db2.gz PUEARXKOCSAEJW-CQSZACIVSA-N 1 2 344.419 0.760 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnc2c(c1)nnn2C ZINC001051026178 761357742 /nfs/dbraw/zinc/35/77/42/761357742.db2.gz PUEARXKOCSAEJW-CQSZACIVSA-N 1 2 344.419 0.760 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nncn2CC1 ZINC001051030619 761366421 /nfs/dbraw/zinc/36/64/21/761366421.db2.gz BTYWAWHQBFETFI-HUUCEWRRSA-N 1 2 333.436 0.624 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nncn2CC1 ZINC001051030619 761366435 /nfs/dbraw/zinc/36/64/35/761366435.db2.gz BTYWAWHQBFETFI-HUUCEWRRSA-N 1 2 333.436 0.624 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001051061774 761420399 /nfs/dbraw/zinc/42/03/99/761420399.db2.gz VKTRRRNBCOBYMZ-LSDHHAIUSA-N 1 2 332.404 0.276 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2COCC[N@@H+]2C[C@H]2CCOC2)nn1 ZINC001051157317 761581933 /nfs/dbraw/zinc/58/19/33/761581933.db2.gz LRGRGAMWEPPYBZ-HUUCEWRRSA-N 1 2 349.435 0.321 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2COCC[N@H+]2C[C@H]2CCOC2)nn1 ZINC001051157317 761581940 /nfs/dbraw/zinc/58/19/40/761581940.db2.gz LRGRGAMWEPPYBZ-HUUCEWRRSA-N 1 2 349.435 0.321 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1csc(-c2nc[nH]n2)n1 ZINC001051162254 761589333 /nfs/dbraw/zinc/58/93/33/761589333.db2.gz RPBJIVDFPHSLGH-LLVKDONJSA-N 1 2 348.432 0.935 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1csc(-c2nc[nH]n2)n1 ZINC001051162254 761589335 /nfs/dbraw/zinc/58/93/35/761589335.db2.gz RPBJIVDFPHSLGH-LLVKDONJSA-N 1 2 348.432 0.935 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1nc2ncccn2n1 ZINC001051175239 761616290 /nfs/dbraw/zinc/61/62/90/761616290.db2.gz QNNXIUQIPOLCHO-ZDUSSCGKSA-N 1 2 330.392 0.521 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1nc2ncccn2n1 ZINC001051175239 761616296 /nfs/dbraw/zinc/61/62/96/761616296.db2.gz QNNXIUQIPOLCHO-ZDUSSCGKSA-N 1 2 330.392 0.521 20 30 ECEDLO N#CCN1CCOC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001051193952 761660908 /nfs/dbraw/zinc/66/09/08/761660908.db2.gz RPZNXJJFSNDUDK-MRXNPFEDSA-N 1 2 325.372 0.826 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1nc2nccc(C)n2n1 ZINC001051231351 761727179 /nfs/dbraw/zinc/72/71/79/761727179.db2.gz OQTVGTOKMTUQML-CYBMUJFWSA-N 1 2 330.392 0.439 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1nc2nccc(C)n2n1 ZINC001051231351 761727183 /nfs/dbraw/zinc/72/71/83/761727183.db2.gz OQTVGTOKMTUQML-CYBMUJFWSA-N 1 2 330.392 0.439 20 30 ECEDLO C=CCOCC(=O)N[C@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001051258083 761781040 /nfs/dbraw/zinc/78/10/40/761781040.db2.gz BLKSULCIICCKCG-KGLIPLIRSA-N 1 2 334.420 0.518 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CSCC#N)C1 ZINC001051311965 761866233 /nfs/dbraw/zinc/86/62/33/761866233.db2.gz NZQSBYVGECMFDV-DGCLKSJQSA-N 1 2 349.460 0.871 20 30 ECEDLO Cc1cc(N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)c(C#N)cn1 ZINC001051702312 762735182 /nfs/dbraw/zinc/73/51/82/762735182.db2.gz XXTZZTHQYZCAGS-ZBFHGGJFSA-N 1 2 340.387 0.214 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)CNc1nc(C)ccc1C#N ZINC001105920205 762771113 /nfs/dbraw/zinc/77/11/13/762771113.db2.gz BGSVTQBCIQKNBT-ZDUSSCGKSA-N 1 2 328.376 0.425 20 30 ECEDLO Cc1nsc(NC[C@@H](O)CNC(=O)Cc2[nH]c[nH+]c2C)c1C#N ZINC001105920595 762774248 /nfs/dbraw/zinc/77/42/48/762774248.db2.gz JJEADYYTYAZLJM-JTQLQIEISA-N 1 2 334.405 0.486 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@H]3CCCOC3)C2)nn1 ZINC001098784349 768115455 /nfs/dbraw/zinc/11/54/55/768115455.db2.gz DEYFZDDOEQGPMF-WBVHZDCISA-N 1 2 345.447 0.981 20 30 ECEDLO C=CC(C)(C)CC(=O)NC[C@H](O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001105980494 763215701 /nfs/dbraw/zinc/21/57/01/763215701.db2.gz VHMRYFRDDWVXHV-LBPRGKRZSA-N 1 2 336.440 0.737 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCCNC3=O)C2)c1 ZINC001014812922 763217271 /nfs/dbraw/zinc/21/72/71/763217271.db2.gz WHWQBEOCWHIMQG-GJZGRUSLSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCCNC3=O)C2)c1 ZINC001014812922 763217279 /nfs/dbraw/zinc/21/72/79/763217279.db2.gz WHWQBEOCWHIMQG-GJZGRUSLSA-N 1 2 344.390 0.914 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2O)C1 ZINC000991758729 763284114 /nfs/dbraw/zinc/28/41/14/763284114.db2.gz CVPYOHNNOXBWFA-DZGCQCFKSA-N 1 2 346.431 0.695 20 30 ECEDLO C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001054646691 768123793 /nfs/dbraw/zinc/12/37/93/768123793.db2.gz AIVWBQJIQZNWPF-JSGCOSHPSA-N 1 2 330.436 0.778 20 30 ECEDLO Cc1ncc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)n1C ZINC001083728391 768123923 /nfs/dbraw/zinc/12/39/23/768123923.db2.gz UWNZVHIOTSUEKW-WBVHZDCISA-N 1 2 339.399 0.575 20 30 ECEDLO Cc1ncc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)n1C ZINC001083728391 768123929 /nfs/dbraw/zinc/12/39/29/768123929.db2.gz UWNZVHIOTSUEKW-WBVHZDCISA-N 1 2 339.399 0.575 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3onc(C)c3C)C2)C1=O ZINC001014866270 763333656 /nfs/dbraw/zinc/33/36/56/763333656.db2.gz ZNOWDSPSWVEUGU-KBPBESRZSA-N 1 2 332.404 0.882 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3onc(C)c3C)C2)C1=O ZINC001014866270 763333665 /nfs/dbraw/zinc/33/36/65/763333665.db2.gz ZNOWDSPSWVEUGU-KBPBESRZSA-N 1 2 332.404 0.882 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2O)C1 ZINC000991766216 763333725 /nfs/dbraw/zinc/33/37/25/763333725.db2.gz XUFXZKOZQRCEKH-GJZGRUSLSA-N 1 2 346.431 0.777 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]2O)C1 ZINC000991766216 763333733 /nfs/dbraw/zinc/33/37/33/763333733.db2.gz XUFXZKOZQRCEKH-GJZGRUSLSA-N 1 2 346.431 0.777 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)CCC2(F)F)c[nH]1 ZINC001046931174 763408685 /nfs/dbraw/zinc/40/86/85/763408685.db2.gz RMZZDBZPTQASQS-SNVBAGLBSA-N 1 2 325.319 0.059 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)CCC2(F)F)c[nH]1 ZINC001046931174 763408692 /nfs/dbraw/zinc/40/86/92/763408692.db2.gz RMZZDBZPTQASQS-SNVBAGLBSA-N 1 2 325.319 0.059 20 30 ECEDLO CC#CCN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001046949492 763442900 /nfs/dbraw/zinc/44/29/00/763442900.db2.gz VBIPUFHIJJVACS-QLFBSQMISA-N 1 2 343.418 0.802 20 30 ECEDLO CC#CCN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001046949492 763442907 /nfs/dbraw/zinc/44/29/07/763442907.db2.gz VBIPUFHIJJVACS-QLFBSQMISA-N 1 2 343.418 0.802 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(CCc3ccnn3C)CC2)C1 ZINC001051998288 763551596 /nfs/dbraw/zinc/55/15/96/763551596.db2.gz QZEQVNKVGCDTRE-WBVHZDCISA-N 1 2 344.463 0.341 20 30 ECEDLO CN1C(=O)CC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031917682 763563393 /nfs/dbraw/zinc/56/33/93/763563393.db2.gz GPTSSQBIXIYSRH-MRXNPFEDSA-N 1 2 344.390 0.866 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)CN3CCOCC3)C2)CC1 ZINC001052011084 763580765 /nfs/dbraw/zinc/58/07/65/763580765.db2.gz MIGUMLLYVVAEND-KRWDZBQOSA-N 1 2 336.480 0.113 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C3CCC(O)CC3)C2)CC1 ZINC001052020622 763602889 /nfs/dbraw/zinc/60/28/89/763602889.db2.gz IRUQDKXRQVQDNO-LXPRWKDFSA-N 1 2 333.476 0.779 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3ccn(C)n3)C2)CC1 ZINC001052024448 763612835 /nfs/dbraw/zinc/61/28/35/763612835.db2.gz COVQOTIAUVDLBA-QGZVFWFLSA-N 1 2 329.448 0.204 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)Cc3nnc(C)[nH]3)C2)CC1 ZINC001052025169 763615952 /nfs/dbraw/zinc/61/59/52/763615952.db2.gz ZPXKFKGMNYXIOC-HNNXBMFYSA-N 1 2 332.452 0.450 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)Cc3ccn(C)n3)C2)CC1 ZINC001052025177 763616063 /nfs/dbraw/zinc/61/60/63/763616063.db2.gz ZUDIYLTWDXQBCK-KRWDZBQOSA-N 1 2 331.464 0.757 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cncc4nc[nH]c43)C2)CC1 ZINC001052029717 763626613 /nfs/dbraw/zinc/62/66/13/763626613.db2.gz AMLGSYCEGQCBJG-CYBMUJFWSA-N 1 2 339.403 0.314 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c[nH]cc4ncnc3-4)C2)CC1 ZINC001052029717 763626623 /nfs/dbraw/zinc/62/66/23/763626623.db2.gz AMLGSYCEGQCBJG-CYBMUJFWSA-N 1 2 339.403 0.314 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)c3ccnn3C)C2)CC1 ZINC001052030310 763629688 /nfs/dbraw/zinc/62/96/88/763629688.db2.gz LXGWLHKOKLSAGQ-DLBZAZTESA-N 1 2 343.475 0.765 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccnn3C(F)F)C2)CC1 ZINC001052032316 763634009 /nfs/dbraw/zinc/63/40/09/763634009.db2.gz FLXMVLZPSIIMSC-ZDUSSCGKSA-N 1 2 337.374 0.744 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)Cn3ccc(C)n3)C2)CC1 ZINC001052032400 763635525 /nfs/dbraw/zinc/63/55/25/763635525.db2.gz GRCOHPNELJMKCR-FUHWJXTLSA-N 1 2 343.475 0.679 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3nn(C)cc3Cl)C2)CC1 ZINC001052033687 763637339 /nfs/dbraw/zinc/63/73/39/763637339.db2.gz SIRRRKNPKFNCFI-AWEZNQCLSA-N 1 2 349.866 0.929 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc4n(n3)CCC4)C2)CC1 ZINC001052035530 763643551 /nfs/dbraw/zinc/64/35/51/763643551.db2.gz LBYVGBHRJXDOBZ-INIZCTEOSA-N 1 2 327.432 0.295 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn4ccncc34)C2)CC1 ZINC001052036929 763651997 /nfs/dbraw/zinc/65/19/97/763651997.db2.gz YFYZWMZJSIYPNI-CQSZACIVSA-N 1 2 339.403 0.085 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cn(C)nc3C)C2)CC1 ZINC001052037158 763653674 /nfs/dbraw/zinc/65/36/74/763653674.db2.gz FJXFDSXGUFBEJY-SFHVURJKSA-N 1 2 343.475 0.513 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc4n(n3)CCO4)C2)CC1 ZINC001052037144 763653791 /nfs/dbraw/zinc/65/37/91/763653791.db2.gz DYDSKZAMZZBDQW-OAHLLOKOSA-N 1 2 343.431 0.131 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)c3cn[nH]c(=O)c3)C2)CC1 ZINC001052041605 763667990 /nfs/dbraw/zinc/66/79/90/763667990.db2.gz MLEWSSKGQXFPST-HNNXBMFYSA-N 1 2 329.404 0.038 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@]3(C)CCNC(=O)C3)C2)CC1 ZINC001052042342 763671333 /nfs/dbraw/zinc/67/13/33/763671333.db2.gz AYJIJKLEUYTZMA-VQIMIIECSA-N 1 2 346.475 0.145 20 30 ECEDLO CC1(C)CC[C@H](CNC(=O)Cc2cc[nH]n2)[N@H+](CC(=O)NCC#N)C1 ZINC001098993373 763673314 /nfs/dbraw/zinc/67/33/14/763673314.db2.gz NROZEICQVQXANJ-CQSZACIVSA-N 1 2 346.435 0.199 20 30 ECEDLO CC1(C)CC[C@H](CNC(=O)Cc2cc[nH]n2)[N@@H+](CC(=O)NCC#N)C1 ZINC001098993373 763673318 /nfs/dbraw/zinc/67/33/18/763673318.db2.gz NROZEICQVQXANJ-CQSZACIVSA-N 1 2 346.435 0.199 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ncc(F)cc3F)C2)CC1 ZINC001052043424 763674911 /nfs/dbraw/zinc/67/49/11/763674911.db2.gz XWAIFDITUDNIQS-CYBMUJFWSA-N 1 2 335.358 0.715 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn(C)c3Cl)C2)CC1 ZINC001052044548 763679204 /nfs/dbraw/zinc/67/92/04/763679204.db2.gz ITUBNSQGBRKWIT-CYBMUJFWSA-N 1 2 335.839 0.539 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn(C)c3Cl)C2)CC1 ZINC001052044548 763679207 /nfs/dbraw/zinc/67/92/07/763679207.db2.gz ITUBNSQGBRKWIT-CYBMUJFWSA-N 1 2 335.839 0.539 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001052044694 763679991 /nfs/dbraw/zinc/67/99/91/763679991.db2.gz LVZDGJJSJLVXMD-STQMWFEESA-N 1 2 349.460 0.810 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001052044694 763679996 /nfs/dbraw/zinc/67/99/96/763679996.db2.gz LVZDGJJSJLVXMD-STQMWFEESA-N 1 2 349.460 0.810 20 30 ECEDLO CCCc1n[nH]cc1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052048399 763696711 /nfs/dbraw/zinc/69/67/11/763696711.db2.gz SBJXELKUVDHIBP-AWEZNQCLSA-N 1 2 330.436 0.718 20 30 ECEDLO CCOc1cc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)on1 ZINC001052049762 763703359 /nfs/dbraw/zinc/70/33/59/763703359.db2.gz PLILPBXDQDPTSL-CYBMUJFWSA-N 1 2 333.392 0.429 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3onc4c3CCCC4)C2)CC1 ZINC001052052457 763715754 /nfs/dbraw/zinc/71/57/54/763715754.db2.gz MZSAFYAGAXEFIV-AWEZNQCLSA-N 1 2 343.431 0.909 20 30 ECEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)[C@H]1CNC(=O)N1 ZINC001031945506 763724790 /nfs/dbraw/zinc/72/47/90/763724790.db2.gz XLDXJFHYTCEOQM-OAHLLOKOSA-N 1 2 346.818 0.421 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)C2)CC1 ZINC001052056448 763727415 /nfs/dbraw/zinc/72/74/15/763727415.db2.gz XLXXZDSDSHORKF-KSZLIROESA-N 1 2 331.460 0.653 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC(=O)NC3)C2)c1 ZINC001015042085 763734720 /nfs/dbraw/zinc/73/47/20/763734720.db2.gz HXTCJSKVCHZJIW-ZFWWWQNUSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCC(=O)NC3)C2)c1 ZINC001015042085 763734729 /nfs/dbraw/zinc/73/47/29/763734729.db2.gz HXTCJSKVCHZJIW-ZFWWWQNUSA-N 1 2 344.390 0.914 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN([C@H](C)C(N)=O)CC2)C1 ZINC001052059551 763737073 /nfs/dbraw/zinc/73/70/73/763737073.db2.gz KNGKUFQAQHSYMN-HUUCEWRRSA-N 1 2 336.480 0.681 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC000991817621 763741361 /nfs/dbraw/zinc/74/13/61/763741361.db2.gz OWDOKBGKNVNRMI-KGLIPLIRSA-N 1 2 334.420 0.633 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn(C)nc3OC)C2)CC1 ZINC001052060799 763741830 /nfs/dbraw/zinc/74/18/30/763741830.db2.gz MQLAMAJFVDVNGB-HNNXBMFYSA-N 1 2 345.447 0.284 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@]3(C)CCC(=O)NC3)C2)CC1 ZINC001052069211 763764057 /nfs/dbraw/zinc/76/40/57/763764057.db2.gz UAOLIOPSFVWDCY-QFBILLFUSA-N 1 2 346.475 0.145 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3ccc(OC)cn3)C2)CC1 ZINC001052071745 763773464 /nfs/dbraw/zinc/77/34/64/763773464.db2.gz YOUWUYMFJRCQLV-KRWDZBQOSA-N 1 2 342.443 0.484 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccnc3OC)C2)CC1 ZINC001052074472 763779818 /nfs/dbraw/zinc/77/98/18/763779818.db2.gz DWKIFMIWWGCHGK-MRXNPFEDSA-N 1 2 342.443 0.946 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)c3cccc(=O)n3C)C2)CC1 ZINC001052081199 763796968 /nfs/dbraw/zinc/79/69/68/763796968.db2.gz KXFSTJDMWHDBSA-MRXNPFEDSA-N 1 2 344.459 0.794 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@]3(C)CCNC3=O)C2)CC1 ZINC001052081542 763799093 /nfs/dbraw/zinc/79/90/93/763799093.db2.gz NMKXLCQQCKVJIO-QAPCUYQASA-N 1 2 334.464 0.307 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001015081727 763837574 /nfs/dbraw/zinc/83/75/74/763837574.db2.gz QWKRMQCGWNUNJW-INIZCTEOSA-N 1 2 341.415 0.664 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001015081727 763837583 /nfs/dbraw/zinc/83/75/83/763837583.db2.gz QWKRMQCGWNUNJW-INIZCTEOSA-N 1 2 341.415 0.664 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C)nc(C)n3)C2)CC1 ZINC001052096819 763848137 /nfs/dbraw/zinc/84/81/37/763848137.db2.gz PXJNTYJVMRLMET-INIZCTEOSA-N 1 2 327.432 0.559 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn(C(F)F)c3)C2)CC1 ZINC001052103350 763869069 /nfs/dbraw/zinc/86/90/69/763869069.db2.gz QGBFRSLILLWYAA-CYBMUJFWSA-N 1 2 338.362 0.634 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3coc(COC)n3)C2)CC1 ZINC001052103913 763870347 /nfs/dbraw/zinc/87/03/47/763870347.db2.gz VVVINKSMLMHIJG-CQSZACIVSA-N 1 2 334.420 0.839 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3cnn(CC)c3)C2)CC1 ZINC001052106988 763884744 /nfs/dbraw/zinc/88/47/44/763884744.db2.gz YPCJUWGNLKWTGJ-SFHVURJKSA-N 1 2 343.475 0.687 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)Oc3ccccn3)C2)CC1 ZINC001052108147 763889995 /nfs/dbraw/zinc/88/99/95/763889995.db2.gz KECVEZAXCDRHSJ-IAGOWNOFSA-N 1 2 342.443 0.701 20 30 ECEDLO CN(C(=O)C1=COCCO1)[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047288760 763893477 /nfs/dbraw/zinc/89/34/77/763893477.db2.gz SCBWCANOPANRQE-HOTGVXAUSA-N 1 2 343.383 0.450 20 30 ECEDLO CN(C(=O)C1=COCCO1)[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047288760 763893486 /nfs/dbraw/zinc/89/34/86/763893486.db2.gz SCBWCANOPANRQE-HOTGVXAUSA-N 1 2 343.383 0.450 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCCC(=O)N3C)C2)CC1 ZINC001052113260 763911233 /nfs/dbraw/zinc/91/12/33/763911233.db2.gz QPBDXAHNLHOCBZ-IRXDYDNUSA-N 1 2 346.475 0.239 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C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001015842629 765425356 /nfs/dbraw/zinc/42/53/56/765425356.db2.gz HJRFGAOORZAVHI-LLVKDONJSA-N 1 2 335.795 0.888 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001053073165 765546709 /nfs/dbraw/zinc/54/67/09/765546709.db2.gz HSRPMZCCFXALSI-JKSUJKDBSA-N 1 2 346.431 0.524 20 30 ECEDLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1CNC(=O)CSCC#N ZINC001053076534 765552493 /nfs/dbraw/zinc/55/24/93/765552493.db2.gz ZRUYHCARCHNTOU-UONOGXRCSA-N 1 2 349.460 0.741 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@H](C)CCNc1ncnc2c1C[N@H+](C)CC2 ZINC001106442587 768310077 /nfs/dbraw/zinc/31/00/77/768310077.db2.gz IXPFWPCRMWDAEM-ZIAGYGMSSA-N 1 2 345.447 0.810 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@H](C)CCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106442587 768310085 /nfs/dbraw/zinc/31/00/85/768310085.db2.gz IXPFWPCRMWDAEM-ZIAGYGMSSA-N 1 2 345.447 0.810 20 30 ECEDLO CC[C@@H](C[NH+]1CC2(C1)CN(C(=O)c1ccc(C#N)[nH]1)CCO2)OC ZINC001053224116 765787405 /nfs/dbraw/zinc/78/74/05/765787405.db2.gz KZJPJWYQAUWEHR-AWEZNQCLSA-N 1 2 332.404 0.838 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCOC3(CN(CC#N)C3)C1)C2 ZINC001053315713 765956389 /nfs/dbraw/zinc/95/63/89/765956389.db2.gz JLBHICAKLIBHCJ-ZDUSSCGKSA-N 1 2 329.404 0.260 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCOC3(CN(CC#N)C3)C1)CC2 ZINC001053315713 765956393 /nfs/dbraw/zinc/95/63/93/765956393.db2.gz JLBHICAKLIBHCJ-ZDUSSCGKSA-N 1 2 329.404 0.260 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCC3N=NC(=O)N3C1)CCO2 ZINC001053315886 765957058 /nfs/dbraw/zinc/95/70/58/765957058.db2.gz LDBROQIWNJGMSU-ZDUSSCGKSA-N 1 2 347.419 0.035 20 30 ECEDLO CC#CCN1CC2(C1)CN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)CCO2 ZINC001053424765 766110215 /nfs/dbraw/zinc/11/02/15/766110215.db2.gz PJIXDNUXNHOKAL-CQSZACIVSA-N 1 2 328.416 0.766 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnoc1-c1cnn(C)c1 ZINC001017768112 768355806 /nfs/dbraw/zinc/35/58/06/768355806.db2.gz XRIKQGJJUQQGNE-OKILXGFUSA-N 1 2 325.372 0.997 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnoc1-c1cnn(C)c1 ZINC001017768112 768355813 /nfs/dbraw/zinc/35/58/13/768355813.db2.gz XRIKQGJJUQQGNE-OKILXGFUSA-N 1 2 325.372 0.997 20 30 ECEDLO C=C1CCC(C(=O)NCC2(O)CN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001045768270 766344054 /nfs/dbraw/zinc/34/40/54/766344054.db2.gz CLDKVNQUMRFAFO-UHFFFAOYSA-N 1 2 346.431 0.697 20 30 ECEDLO C=CCCC1(C(=O)NCC2(O)CN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001045785264 766369125 /nfs/dbraw/zinc/36/91/25/766369125.db2.gz LBEHMDXGEAQQRP-UHFFFAOYSA-N 1 2 346.431 0.778 20 30 ECEDLO C=CCCC1(C(=O)NCC2(O)CN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001045785264 766369133 /nfs/dbraw/zinc/36/91/33/766369133.db2.gz LBEHMDXGEAQQRP-UHFFFAOYSA-N 1 2 346.431 0.778 20 30 ECEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031661711 766378936 /nfs/dbraw/zinc/37/89/36/766378936.db2.gz FIVXNTVTLSMHIT-HZPDHXFCSA-N 1 2 331.347 0.890 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1nnn(C(C)(C)C)n1)O2 ZINC001053600554 766407476 /nfs/dbraw/zinc/40/74/76/766407476.db2.gz LDPLBDXGGYEVPA-GFCCVEGCSA-N 1 2 334.424 0.577 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1nnn(C(C)(C)C)n1)O2 ZINC001053600606 766408420 /nfs/dbraw/zinc/40/84/20/766408420.db2.gz MYEHIJDDAROZQL-CYBMUJFWSA-N 1 2 348.451 0.967 20 30 ECEDLO C#CCN1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCn3c[nH+]cc3C1)O2 ZINC001053617625 766442796 /nfs/dbraw/zinc/44/27/96/766442796.db2.gz CJHZOZGKAQSCCL-GOEBONIOSA-N 1 2 328.416 0.428 20 30 ECEDLO C#CCN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCn3c[nH+]cc3C1)O2 ZINC001053617624 766443077 /nfs/dbraw/zinc/44/30/77/766443077.db2.gz CJHZOZGKAQSCCL-GDBMZVCRSA-N 1 2 328.416 0.428 20 30 ECEDLO C=CCN1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCn3c[nH+]cc3C1)O2 ZINC001053617819 766443397 /nfs/dbraw/zinc/44/33/97/766443397.db2.gz HMEMEAZNEUUXFQ-GOEBONIOSA-N 1 2 330.432 0.981 20 30 ECEDLO N#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCn3c[nH+]cc3C1)O2 ZINC001053618505 766446126 /nfs/dbraw/zinc/44/61/26/766446126.db2.gz ZKTHPESLQOIRLL-ZFWWWQNUSA-N 1 2 329.404 0.319 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)O2 ZINC001053637653 766492223 /nfs/dbraw/zinc/49/22/23/766492223.db2.gz BGDVFCYHLAZLSI-XUWVNRHRSA-N 1 2 336.432 0.574 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c(C)c(C)nn(C)c1=O)O2 ZINC001053642106 766501165 /nfs/dbraw/zinc/50/11/65/766501165.db2.gz WVHXJRRXNNNVCS-CQSZACIVSA-N 1 2 346.431 0.546 20 30 ECEDLO Cn1nnnc1C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C#CC1CC1)C2 ZINC001045937552 766509503 /nfs/dbraw/zinc/50/95/03/766509503.db2.gz GFZYPBPTNZICRU-SFHVURJKSA-N 1 2 342.447 0.828 20 30 ECEDLO Cn1nnnc1C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C#CC1CC1)C2 ZINC001045937552 766509504 /nfs/dbraw/zinc/50/95/04/766509504.db2.gz GFZYPBPTNZICRU-SFHVURJKSA-N 1 2 342.447 0.828 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc3nc(C)n(C)c3c2)[C@@H](O)C1 ZINC001083696020 766544432 /nfs/dbraw/zinc/54/44/32/766544432.db2.gz FNSWNTGFDUVPQE-WBVHZDCISA-N 1 2 326.400 0.680 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3nc(C)n(C)c3c2)[C@@H](O)C1 ZINC001083696020 766544435 /nfs/dbraw/zinc/54/44/35/766544435.db2.gz FNSWNTGFDUVPQE-WBVHZDCISA-N 1 2 326.400 0.680 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cncc(C(N)=O)c1)O2 ZINC001053698953 766615594 /nfs/dbraw/zinc/61/55/94/766615594.db2.gz ZOGJQJBXZLAIDO-AWEZNQCLSA-N 1 2 330.388 0.330 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCc3nncn3C1)O2 ZINC001053701537 766623340 /nfs/dbraw/zinc/62/33/40/766623340.db2.gz XKNIMRCEJQVZSD-KGLIPLIRSA-N 1 2 331.420 0.376 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C(N)=O)cs1)O2 ZINC001053702625 766625347 /nfs/dbraw/zinc/62/53/47/766625347.db2.gz ZNVGPFGVLVQXFV-GFCCVEGCSA-N 1 2 335.429 0.996 20 30 ECEDLO Cc1nnc(C[N@H+]2CC[C@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)o1 ZINC001046011555 766635713 /nfs/dbraw/zinc/63/57/13/766635713.db2.gz DWXVVVHQZOMWDT-JSGCOSHPSA-N 1 2 332.408 0.256 20 30 ECEDLO Cc1nnc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)o1 ZINC001046011555 766635716 /nfs/dbraw/zinc/63/57/16/766635716.db2.gz DWXVVVHQZOMWDT-JSGCOSHPSA-N 1 2 332.408 0.256 20 30 ECEDLO Cn1ccnc1C[N@@H+]1CC[C@H](N2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001046026919 766684045 /nfs/dbraw/zinc/68/40/45/766684045.db2.gz HEQFSLMJXRQUKO-KRWDZBQOSA-N 1 2 341.459 0.552 20 30 ECEDLO Cn1ccnc1C[N@H+]1CC[C@H](N2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001046026919 766684047 /nfs/dbraw/zinc/68/40/47/766684047.db2.gz HEQFSLMJXRQUKO-KRWDZBQOSA-N 1 2 341.459 0.552 20 30 ECEDLO Cc1cnccc1CC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046030181 766697256 /nfs/dbraw/zinc/69/72/56/766697256.db2.gz LCJMTSNTKMDXGC-QGZVFWFLSA-N 1 2 327.432 0.675 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cnc4[nH]cnc4c3)CC2)C1 ZINC001046032460 766705562 /nfs/dbraw/zinc/70/55/62/766705562.db2.gz DAOYWLHHRFHDDE-CQSZACIVSA-N 1 2 339.403 0.314 20 30 ECEDLO Cc1c(CCC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)cnn1C ZINC001046033893 766711145 /nfs/dbraw/zinc/71/11/45/766711145.db2.gz LPZRTQFPLQEDJW-KRWDZBQOSA-N 1 2 344.463 0.403 20 30 ECEDLO Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)c(C)nn1 ZINC001046034114 766712846 /nfs/dbraw/zinc/71/28/46/766712846.db2.gz PJGLAANVTVFFOV-OAHLLOKOSA-N 1 2 328.420 0.449 20 30 ECEDLO COc1cnc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)c(F)c1 ZINC001046035230 766719255 /nfs/dbraw/zinc/71/92/55/766719255.db2.gz HLZUYLPOWGLJOT-CYBMUJFWSA-N 1 2 347.394 0.585 20 30 ECEDLO COc1cncc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)c1C ZINC001046038032 766736268 /nfs/dbraw/zinc/73/62/68/766736268.db2.gz GFAQJIYSJNUOGI-HNNXBMFYSA-N 1 2 343.431 0.754 20 30 ECEDLO Cc1nccc(CCC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)n1 ZINC001046045822 766771544 /nfs/dbraw/zinc/77/15/44/766771544.db2.gz OGRFNMNTBNJJMK-QGZVFWFLSA-N 1 2 342.447 0.460 20 30 ECEDLO Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046072037 766879533 /nfs/dbraw/zinc/87/95/33/766879533.db2.gz PPIVWAKSJRVAHN-BBRMVZONSA-N 1 2 344.463 0.872 20 30 ECEDLO CCCn1ncc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)c1C ZINC001046073686 766887372 /nfs/dbraw/zinc/88/73/72/766887372.db2.gz JLJWNVCEJNJLEI-INIZCTEOSA-N 1 2 344.463 0.957 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1nnn(C(C)(C)C)n1)CO2 ZINC001053807212 766900007 /nfs/dbraw/zinc/90/00/07/766900007.db2.gz DUBLTPBZQQSNND-LBPRGKRZSA-N 1 2 332.408 0.025 20 30 ECEDLO C[C@@H](C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1)c1cccnc1 ZINC001046076797 766904784 /nfs/dbraw/zinc/90/47/84/766904784.db2.gz PZNMZCPGXYXAOK-WBVHZDCISA-N 1 2 327.432 0.927 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cc4c([nH]3)CCC4)CC2)C1 ZINC001046076732 766904996 /nfs/dbraw/zinc/90/49/96/766904996.db2.gz IMNMXSGOJXDSHH-HNNXBMFYSA-N 1 2 327.432 0.859 20 30 ECEDLO COc1cccc(CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)c1 ZINC001046080470 766916703 /nfs/dbraw/zinc/91/67/03/766916703.db2.gz HUIYLOFNOOGEHU-QGZVFWFLSA-N 1 2 342.443 0.980 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)COc3ccccc3)CC2)C1 ZINC001046081508 766919168 /nfs/dbraw/zinc/91/91/68/766919168.db2.gz ZZICWHXZIHYQLI-MRXNPFEDSA-N 1 2 328.416 0.807 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)COc3cccc(F)c3)CC2)C1 ZINC001046081651 766920271 /nfs/dbraw/zinc/92/02/71/766920271.db2.gz HRSUGSITWAELLB-INIZCTEOSA-N 1 2 346.406 0.947 20 30 ECEDLO Cc1nn(C)c(F)c1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046082437 766921977 /nfs/dbraw/zinc/92/19/77/766921977.db2.gz WXLDDECILOAJJO-CYBMUJFWSA-N 1 2 334.399 0.223 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccnn1CCOC)CO2 ZINC001053839240 766985825 /nfs/dbraw/zinc/98/58/25/766985825.db2.gz ZZYSNSDCJKEYQL-AWEZNQCLSA-N 1 2 334.420 0.679 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1cc(C3CC3)cn1)CO2 ZINC001053851326 767019639 /nfs/dbraw/zinc/01/96/39/767019639.db2.gz QCOHAVLRKIVNEU-INIZCTEOSA-N 1 2 328.416 0.743 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3nccn3C1)CO2 ZINC001053853005 767025027 /nfs/dbraw/zinc/02/50/27/767025027.db2.gz VLZBVUPBXWJVAY-CABCVRRESA-N 1 2 330.432 0.981 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nc(C)c(C)nc1C)CO2 ZINC001053863771 767065162 /nfs/dbraw/zinc/06/51/62/767065162.db2.gz QEADYZOBWZTHBZ-OAHLLOKOSA-N 1 2 328.416 0.998 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCN(C(C)=O)C1)CO2 ZINC001053864898 767068287 /nfs/dbraw/zinc/06/82/87/767068287.db2.gz MHWXILVHPOYBFJ-CVEARBPZSA-N 1 2 335.448 0.781 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccnc3[nH]c(C)nc31)CO2 ZINC001053876633 767114904 /nfs/dbraw/zinc/11/49/04/767114904.db2.gz HZZWGCMQZVBTEB-CYBMUJFWSA-N 1 2 339.399 0.863 20 30 ECEDLO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001046312315 767141233 /nfs/dbraw/zinc/14/12/33/767141233.db2.gz VJCCQNTUOHASEW-CQSZACIVSA-N 1 2 346.431 0.880 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1nc(CCOC)no1 ZINC001127605257 767141646 /nfs/dbraw/zinc/14/16/46/767141646.db2.gz VWSYFIPMYBMZKM-OLZOCXBDSA-N 1 2 338.408 0.446 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2cn(C)nn2)C1 ZINC001046327234 767150531 /nfs/dbraw/zinc/15/05/31/767150531.db2.gz IMZJVRAEMYQCEC-HLLBOEOZSA-N 1 2 333.436 0.877 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2cn(C)nn2)C1 ZINC001046327234 767150534 /nfs/dbraw/zinc/15/05/34/767150534.db2.gz IMZJVRAEMYQCEC-HLLBOEOZSA-N 1 2 333.436 0.877 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CCS(C)(=O)=O)C1 ZINC001046327233 767150851 /nfs/dbraw/zinc/15/08/51/767150851.db2.gz IKPRBNHBEBULJR-YCPHGPKFSA-N 1 2 344.477 0.593 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001046327233 767150853 /nfs/dbraw/zinc/15/08/53/767150853.db2.gz IKPRBNHBEBULJR-YCPHGPKFSA-N 1 2 344.477 0.593 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@]1(C)CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001046374123 767178801 /nfs/dbraw/zinc/17/88/01/767178801.db2.gz LRTAKRSOTSWHBX-QGZVFWFLSA-N 1 2 344.419 0.490 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@]1(C)CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001046374123 767178804 /nfs/dbraw/zinc/17/88/04/767178804.db2.gz LRTAKRSOTSWHBX-QGZVFWFLSA-N 1 2 344.419 0.490 20 30 ECEDLO CCN1CCOC[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031797014 767220204 /nfs/dbraw/zinc/22/02/04/767220204.db2.gz BSYNWMIZNLLWCO-GOSISDBHSA-N 1 2 342.443 0.827 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)cc1 ZINC001046532613 767284169 /nfs/dbraw/zinc/28/41/69/767284169.db2.gz YBKSMIRVHKYHCI-SFHVURJKSA-N 1 2 339.399 0.484 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)cc1 ZINC001046532613 767284170 /nfs/dbraw/zinc/28/41/70/767284170.db2.gz YBKSMIRVHKYHCI-SFHVURJKSA-N 1 2 339.399 0.484 20 30 ECEDLO Cn1nnc(C(=O)N[C@]2(C)CC[N@H+](Cc3ccc(C#N)cc3F)C2)n1 ZINC001046543263 767293899 /nfs/dbraw/zinc/29/38/99/767293899.db2.gz FICRGIZPCBCPOW-MRXNPFEDSA-N 1 2 343.366 0.615 20 30 ECEDLO Cn1nnc(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccc(C#N)cc3F)C2)n1 ZINC001046543263 767293902 /nfs/dbraw/zinc/29/39/02/767293902.db2.gz FICRGIZPCBCPOW-MRXNPFEDSA-N 1 2 343.366 0.615 20 30 ECEDLO Cn1nnc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3C#N)C2)n1 ZINC001046544971 767296102 /nfs/dbraw/zinc/29/61/02/767296102.db2.gz WBBHBHGBROUORC-INIZCTEOSA-N 1 2 325.376 0.476 20 30 ECEDLO Cn1nnc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC001046544971 767296104 /nfs/dbraw/zinc/29/61/04/767296104.db2.gz WBBHBHGBROUORC-INIZCTEOSA-N 1 2 325.376 0.476 20 30 ECEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001031830360 767311699 /nfs/dbraw/zinc/31/16/99/767311699.db2.gz XUOMFGBFMDBQMG-UHFFFAOYSA-N 1 2 340.811 0.304 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C(=O)N1CCC[C@H](C)C1)CO2 ZINC001053948918 767430408 /nfs/dbraw/zinc/43/04/08/767430408.db2.gz URCIEELQOIXJEU-GJZGRUSLSA-N 1 2 335.448 0.781 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2COC3(C[NH+]([C@H](C)COC)C3)C2)nn1 ZINC001053950379 767434167 /nfs/dbraw/zinc/43/41/67/767434167.db2.gz AYBZOQHSOIPBLI-KGLIPLIRSA-N 1 2 349.435 0.462 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc(C3CC3)[nH]c1=O)CO2 ZINC001053950164 767434313 /nfs/dbraw/zinc/43/43/13/767434313.db2.gz WHRFZWPCPSKMIM-ZDUSSCGKSA-N 1 2 342.399 0.656 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2COC3(C[NH+](CCOC)C3)C2)nn1 ZINC001053951306 767436395 /nfs/dbraw/zinc/43/63/95/767436395.db2.gz UMFWGPPELVALEQ-ZDUSSCGKSA-N 1 2 335.408 0.074 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc3c(cnn3C)c1)CO2 ZINC001053967197 767481753 /nfs/dbraw/zinc/48/17/53/767481753.db2.gz TZSLGWZUCOPNBX-HNNXBMFYSA-N 1 2 339.399 0.565 20 30 ECEDLO N#Cc1cncc(NC[C@@H](O)CNC(=O)c2cc3c[nH+]ccc3[nH]2)n1 ZINC001106174864 767489129 /nfs/dbraw/zinc/48/91/29/767489129.db2.gz MYKCLFDZOSVEOS-GFCCVEGCSA-N 1 2 337.343 0.427 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nnn(C(C)C)c1C)CO2 ZINC001053969562 767491208 /nfs/dbraw/zinc/49/12/08/767491208.db2.gz QYRDTRDNQBHLEQ-CQSZACIVSA-N 1 2 331.420 0.764 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1(N3CCOCC3)CCC1)CO2 ZINC001053970025 767491989 /nfs/dbraw/zinc/49/19/89/767491989.db2.gz DIQCILYUMBQEFX-INIZCTEOSA-N 1 2 347.459 0.224 20 30 ECEDLO N#CCN1CC2(C1)C[C@H](NC(=O)c1ccc(-n3cc[nH+]c3)cn1)CO2 ZINC001053979446 767517215 /nfs/dbraw/zinc/51/72/15/767517215.db2.gz QSDVQQDAYKEOQW-ZDUSSCGKSA-N 1 2 338.371 0.364 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1c(OC)cc[nH]c1=O)CO2 ZINC001053982788 767527581 /nfs/dbraw/zinc/52/75/81/767527581.db2.gz BUTGVPXODGDACG-LBPRGKRZSA-N 1 2 333.388 0.945 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001053985737 767535898 /nfs/dbraw/zinc/53/58/98/767535898.db2.gz XZXLFEOECYUCGK-ZIAGYGMSSA-N 1 2 345.399 0.048 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3nnn(C)c3c1)CO2 ZINC001053993536 767548071 /nfs/dbraw/zinc/54/80/71/767548071.db2.gz OEUQIBJCYZCDBM-AWEZNQCLSA-N 1 2 339.399 0.565 20 30 ECEDLO Cn1ncnc1C[N@H+](C)C[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001017092649 767574566 /nfs/dbraw/zinc/57/45/66/767574566.db2.gz IMGDHGYFDLBAJW-CYBMUJFWSA-N 1 2 341.419 0.999 20 30 ECEDLO Cn1ncnc1C[N@@H+](C)C[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001017092649 767574570 /nfs/dbraw/zinc/57/45/70/767574570.db2.gz IMGDHGYFDLBAJW-CYBMUJFWSA-N 1 2 341.419 0.999 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3c[nH]nc3C1)CO2 ZINC001054015608 767605152 /nfs/dbraw/zinc/60/51/52/767605152.db2.gz LYJCWHGHZXSNCR-HIFRSBDPSA-N 1 2 328.416 0.497 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1c(C)c(C)sc1=O)CO2 ZINC001054017415 767608833 /nfs/dbraw/zinc/60/88/33/767608833.db2.gz ZAOJHHKXBZXQAQ-CQSZACIVSA-N 1 2 349.456 0.509 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(N(C)C)ccn1)CO2 ZINC001054021085 767614803 /nfs/dbraw/zinc/61/48/03/767614803.db2.gz BYCAIVCCASFBCQ-CQSZACIVSA-N 1 2 328.416 0.744 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CCC(NC(C)=O)CC1)CO2 ZINC001054022595 767618323 /nfs/dbraw/zinc/61/83/23/767618323.db2.gz LHLHQMZKCBQNMZ-OFLPRAFFSA-N 1 2 347.459 0.664 20 30 ECEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1COCCO1 ZINC001054032540 767632537 /nfs/dbraw/zinc/63/25/37/767632537.db2.gz BWCGTMSRLXNSAT-ZWKOTPCHSA-N 1 2 328.412 0.968 20 30 ECEDLO CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1COCCO1 ZINC001054032540 767632543 /nfs/dbraw/zinc/63/25/43/767632543.db2.gz BWCGTMSRLXNSAT-ZWKOTPCHSA-N 1 2 328.412 0.968 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)c1csc(=O)[nH]1 ZINC001083713320 767647201 /nfs/dbraw/zinc/64/72/01/767647201.db2.gz QNRIBQIDDAFIIU-HIFRSBDPSA-N 1 2 343.408 0.675 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)c1csc(=O)[nH]1 ZINC001083713320 767647203 /nfs/dbraw/zinc/64/72/03/767647203.db2.gz QNRIBQIDDAFIIU-HIFRSBDPSA-N 1 2 343.408 0.675 20 30 ECEDLO Cc1cc(C)c(C(=O)NC[C@@H](O)CNc2ccnc(C#N)n2)c(C)[nH+]1 ZINC001106182780 767741526 /nfs/dbraw/zinc/74/15/26/767741526.db2.gz GDAJHTZQDUAYTC-ZDUSSCGKSA-N 1 2 340.387 0.293 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1 ZINC000992890507 767753604 /nfs/dbraw/zinc/75/36/04/767753604.db2.gz NKRFYANZJOBFGO-HNAYVOBHSA-N 1 2 340.427 0.683 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N(CCO)CCNc1ccc(C#N)cn1 ZINC001111495328 767775287 /nfs/dbraw/zinc/77/52/87/767775287.db2.gz AEJBLLIGCXDIIO-UHFFFAOYSA-N 1 2 342.403 0.552 20 30 ECEDLO CN(CCOCCNc1nccnc1C#N)C(=O)Cc1c[nH+]cn1C ZINC001127347210 768371494 /nfs/dbraw/zinc/37/14/94/768371494.db2.gz JYSHDHTZHZHMIC-UHFFFAOYSA-N 1 2 343.391 0.211 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)CCOCCNc1cnc(C#N)cn1 ZINC001127346667 768372507 /nfs/dbraw/zinc/37/25/07/768372507.db2.gz GBIKIJFBIZPFHN-UHFFFAOYSA-N 1 2 343.391 0.509 20 30 ECEDLO CN(CCOCCNc1ccc(C#N)cn1)C(=O)Cc1[nH]cc[nH+]1 ZINC001127356731 768464916 /nfs/dbraw/zinc/46/49/16/768464916.db2.gz CUZLINPOFPNTII-UHFFFAOYSA-N 1 2 328.376 0.806 20 30 ECEDLO N#Cc1ccc(N[C@@H]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]23)nn1 ZINC001060534589 768556966 /nfs/dbraw/zinc/55/69/66/768556966.db2.gz BWOKWEPEENOUEF-VHDGCEQUSA-N 1 2 337.387 0.894 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2CC(C)(C)C2)[C@H](OC)C1 ZINC001212206029 768637935 /nfs/dbraw/zinc/63/79/35/768637935.db2.gz FGQBGPYDIGKTIR-NWANDNLSSA-N 1 2 335.448 0.376 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC(C)(C)C2)[C@H](OC)C1 ZINC001212206029 768637940 /nfs/dbraw/zinc/63/79/40/768637940.db2.gz FGQBGPYDIGKTIR-NWANDNLSSA-N 1 2 335.448 0.376 20 30 ECEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001018050709 768661084 /nfs/dbraw/zinc/66/10/84/768661084.db2.gz AIFXPACAGJMXNV-MJBXVCDLSA-N 1 2 327.450 0.272 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001018050709 768661090 /nfs/dbraw/zinc/66/10/90/768661090.db2.gz AIFXPACAGJMXNV-MJBXVCDLSA-N 1 2 327.450 0.272 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001018054024 768665883 /nfs/dbraw/zinc/66/58/83/768665883.db2.gz DXQFGXFZEYEWGA-WCXIOVBPSA-N 1 2 328.416 0.597 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001018054024 768665886 /nfs/dbraw/zinc/66/58/86/768665886.db2.gz DXQFGXFZEYEWGA-WCXIOVBPSA-N 1 2 328.416 0.597 20 30 ECEDLO C[C@H]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001018090848 768710017 /nfs/dbraw/zinc/71/00/17/768710017.db2.gz BTXJDGJQHGIZNU-WCQYABFASA-N 1 2 340.387 0.961 20 30 ECEDLO N#CCNCc1cn([C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)C2)nn1 ZINC001098789989 768726256 /nfs/dbraw/zinc/72/62/56/768726256.db2.gz MERCQVDZTJLUGF-OAHLLOKOSA-N 1 2 342.407 0.342 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)NC(=O)C1(C)C ZINC001018142250 768791819 /nfs/dbraw/zinc/79/18/19/768791819.db2.gz KVLZIQLANRIRQG-BETUJISGSA-N 1 2 332.404 0.015 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)NC(=O)C1(C)C ZINC001018142250 768791822 /nfs/dbraw/zinc/79/18/22/768791822.db2.gz KVLZIQLANRIRQG-BETUJISGSA-N 1 2 332.404 0.015 20 30 ECEDLO N#Cc1nccc(N[C@@H]2CC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]32)n1 ZINC001060557860 768808818 /nfs/dbraw/zinc/80/88/18/768808818.db2.gz RNRKZDAAXXUDTC-FPMFFAJLSA-N 1 2 337.387 0.385 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@]2(C)C1 ZINC000993347027 768835973 /nfs/dbraw/zinc/83/59/73/768835973.db2.gz BCMTWRXXARKRLC-NDGTYSDOSA-N 1 2 329.404 0.727 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@@H]1C ZINC000993409307 768970288 /nfs/dbraw/zinc/97/02/88/768970288.db2.gz GDMJJSLPBFNTFJ-STQMWFEESA-N 1 2 349.884 0.744 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@@H]1C ZINC000993409307 768970290 /nfs/dbraw/zinc/97/02/90/768970290.db2.gz GDMJJSLPBFNTFJ-STQMWFEESA-N 1 2 349.884 0.744 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccnn3C)C2)CC1 ZINC001018357456 769179974 /nfs/dbraw/zinc/17/99/74/769179974.db2.gz DQSTYOZGJSUYRR-HNNXBMFYSA-N 1 2 345.447 0.603 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)CC(C)(C)O)C2)CC1 ZINC001018363999 769204712 /nfs/dbraw/zinc/20/47/12/769204712.db2.gz AFMJQSFTDOMKSS-OAHLLOKOSA-N 1 2 337.464 0.716 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3ncccn3)C2)CC1 ZINC001018370777 769226763 /nfs/dbraw/zinc/22/67/63/769226763.db2.gz ARNKKKHSPNPNCX-HNNXBMFYSA-N 1 2 343.431 0.659 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CC34CCOCC4)C2)nn1 ZINC001098795731 769336670 /nfs/dbraw/zinc/33/66/70/769336670.db2.gz DQJHFTBOBSXLBL-CVEARBPZSA-N 1 2 343.431 0.591 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C2CC=CC2)C1 ZINC000993634691 769392253 /nfs/dbraw/zinc/39/22/53/769392253.db2.gz ZEFLMECEBOUWAI-NWANDNLSSA-N 1 2 341.415 0.957 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)c2ccon2)C1 ZINC000993632954 769445579 /nfs/dbraw/zinc/44/55/79/769445579.db2.gz SCTKOWGXEQYLRM-NQBHXWOUSA-N 1 2 342.359 0.292 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2nnn(C)n2)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000993691300 769523126 /nfs/dbraw/zinc/52/31/26/769523126.db2.gz SUODTLLZLIWUIM-GOEBONIOSA-N 1 2 338.415 0.845 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2nnn(C)n2)CCC[N@H+]1CC#Cc1ccccc1 ZINC000993691300 769523131 /nfs/dbraw/zinc/52/31/31/769523131.db2.gz SUODTLLZLIWUIM-GOEBONIOSA-N 1 2 338.415 0.845 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2nc(N(C)C)no2)C1 ZINC001078360335 782772451 /nfs/dbraw/zinc/77/24/51/782772451.db2.gz QPLPBDBULKJHLO-NEPJUHHUSA-N 1 2 336.396 0.002 20 30 ECEDLO COCc1noc([C@H](C)[NH2+][C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001018731283 769820047 /nfs/dbraw/zinc/82/00/47/769820047.db2.gz TZXFWYVBKYZGEB-JQWIXIFHSA-N 1 2 344.375 0.981 20 30 ECEDLO CN(C)c1noc(C[NH2+][C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001018738576 769831507 /nfs/dbraw/zinc/83/15/07/769831507.db2.gz RVFPLBNXJBIMSK-NSHDSACASA-N 1 2 329.364 0.340 20 30 ECEDLO C=C(C)C[N@H+]1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H]1C ZINC000994010723 770005080 /nfs/dbraw/zinc/00/50/80/770005080.db2.gz QFYCRDPCQXLDJU-JSGCOSHPSA-N 1 2 344.419 0.616 20 30 ECEDLO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H]1C ZINC000994010723 770005094 /nfs/dbraw/zinc/00/50/94/770005094.db2.gz QFYCRDPCQXLDJU-JSGCOSHPSA-N 1 2 344.419 0.616 20 30 ECEDLO CC(C)C#CC(=O)N1CCC[C@@](CO)(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001055915217 770204258 /nfs/dbraw/zinc/20/42/58/770204258.db2.gz VDEKGYNFCONNPG-GOSISDBHSA-N 1 2 346.431 0.471 20 30 ECEDLO CC(C)C#CC(=O)N[C@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001055930869 770261527 /nfs/dbraw/zinc/26/15/27/770261527.db2.gz AITFVLQETJKDMH-QGZVFWFLSA-N 1 2 332.404 0.081 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(CC)CCNc1ncnc2c1C[N@H+](C)CC2 ZINC001106853061 770341708 /nfs/dbraw/zinc/34/17/08/770341708.db2.gz WPXXRYDYGQBLSU-CQSZACIVSA-N 1 2 345.447 0.763 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(CC)CCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106853061 770341720 /nfs/dbraw/zinc/34/17/20/770341720.db2.gz WPXXRYDYGQBLSU-CQSZACIVSA-N 1 2 345.447 0.763 20 30 ECEDLO CCn1nncc1C[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001007159422 770558300 /nfs/dbraw/zinc/55/83/00/770558300.db2.gz ZFMUIWZBZYRYIY-ZDUSSCGKSA-N 1 2 327.392 0.892 20 30 ECEDLO CCn1nncc1C[N@H+]1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001007159422 770558305 /nfs/dbraw/zinc/55/83/05/770558305.db2.gz ZFMUIWZBZYRYIY-ZDUSSCGKSA-N 1 2 327.392 0.892 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N1CCN(c2ccc(C#N)nn2)CC1 ZINC001056068371 770736136 /nfs/dbraw/zinc/73/61/36/770736136.db2.gz ZCRVWDQHORVKJX-UHFFFAOYSA-N 1 2 338.371 0.643 20 30 ECEDLO C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001056097645 770819885 /nfs/dbraw/zinc/81/98/85/770819885.db2.gz SSJZOSAOYNIUMF-SJCJKPOMSA-N 1 2 347.419 0.317 20 30 ECEDLO N#Cc1cncc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCn3c[nH+]cc3C2)n1 ZINC001056326968 771130472 /nfs/dbraw/zinc/13/04/72/771130472.db2.gz MGGLDGGJOULLGZ-LCSDZXHASA-N 1 2 349.398 0.358 20 30 ECEDLO N#Cc1cnccc1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001056335832 771142843 /nfs/dbraw/zinc/14/28/43/771142843.db2.gz LULLHZBHLRNEDO-BWUSGFMJSA-N 1 2 348.410 0.963 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056381075 771204932 /nfs/dbraw/zinc/20/49/32/771204932.db2.gz VCMAMOFTIXIIBM-LBTNJELSSA-N 1 2 346.431 0.871 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001019363183 771205975 /nfs/dbraw/zinc/20/59/75/771205975.db2.gz NMUBHBRRDDWLRK-GFCCVEGCSA-N 1 2 329.404 0.908 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001056455288 771285828 /nfs/dbraw/zinc/28/58/28/771285828.db2.gz BJWWXGFVAFLYON-JKSUJKDBSA-N 1 2 344.415 0.515 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000994604898 771313333 /nfs/dbraw/zinc/31/33/33/771313333.db2.gz VVCFGCDGKUGSLA-CFVMTHIKSA-N 1 2 344.415 0.364 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3cnsn3)C2)nn1 ZINC001019493903 771359421 /nfs/dbraw/zinc/35/94/21/771359421.db2.gz RCGJMDOFWSCBJD-NSHDSACASA-N 1 2 333.421 0.710 20 30 ECEDLO CN(CCOCCNc1ccncc1C#N)C(=O)CCc1c[nH]c[nH+]1 ZINC001127511616 771409006 /nfs/dbraw/zinc/40/90/06/771409006.db2.gz ZPHKYSNZWCDAPI-UHFFFAOYSA-N 1 2 342.403 0.618 20 30 ECEDLO CN(CCOCCNc1ccncc1C#N)C(=O)CCc1c[nH+]c[nH]1 ZINC001127511616 771409010 /nfs/dbraw/zinc/40/90/10/771409010.db2.gz ZPHKYSNZWCDAPI-UHFFFAOYSA-N 1 2 342.403 0.618 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001056655745 771476101 /nfs/dbraw/zinc/47/61/01/771476101.db2.gz YBANLLIWVVFDCF-IYOUNJFTSA-N 1 2 346.431 0.729 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031621920 771484600 /nfs/dbraw/zinc/48/46/00/771484600.db2.gz RACFKOMCCBSGJF-GOSISDBHSA-N 1 2 345.418 0.556 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCc4c[nH+]cn4C3)C2)nc1 ZINC000994634752 771497161 /nfs/dbraw/zinc/49/71/61/771497161.db2.gz ZUGNZMVGVRBDRQ-AWEZNQCLSA-N 1 2 349.394 0.463 20 30 ECEDLO Cn1ncc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)c1N ZINC001031629432 771532231 /nfs/dbraw/zinc/53/22/31/771532231.db2.gz VOTGOULIFMLRTH-UHFFFAOYSA-N 1 2 330.417 0.797 20 30 ECEDLO CCN(c1[nH+]cnc2c1cnn2C)[C@H](C)CNC(=O)CSCC#N ZINC001089576123 771549459 /nfs/dbraw/zinc/54/94/59/771549459.db2.gz PFLQHWFRRMCECU-LLVKDONJSA-N 1 2 347.448 0.951 20 30 ECEDLO N#Cc1ccc(N[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)nn1 ZINC001056725693 771560638 /nfs/dbraw/zinc/56/06/38/771560638.db2.gz ASPUSRAQQODLIF-TZMCWYRMSA-N 1 2 337.387 0.820 20 30 ECEDLO N#Cc1cncc(N[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)n1 ZINC001056725897 771560989 /nfs/dbraw/zinc/56/09/89/771560989.db2.gz JLJKZKPHXQXICM-CHWSQXEVSA-N 1 2 337.387 0.820 20 30 ECEDLO N#Cc1nccnc1N[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001056727245 771562014 /nfs/dbraw/zinc/56/20/14/771562014.db2.gz QTKNTQIHPLYMDU-QWHCGFSZSA-N 1 2 337.387 0.820 20 30 ECEDLO C#CCOc1ncccc1C(=O)N1CC[C@H]([NH2+]Cc2nncs2)C1 ZINC001019673175 771701678 /nfs/dbraw/zinc/70/16/78/771701678.db2.gz DXPFWSSZZZPAIH-LBPRGKRZSA-N 1 2 343.412 0.949 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H](N(C)c3cc[nH+]c(C)n3)C2)nn1 ZINC001057044906 771987875 /nfs/dbraw/zinc/98/78/75/771987875.db2.gz IQRQVNUVEVHQON-CYBMUJFWSA-N 1 2 327.392 0.913 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](N(C)c2cncc(C#N)n2)C1 ZINC001057046845 771992651 /nfs/dbraw/zinc/99/26/51/771992651.db2.gz HRJRPZZNHVEEHK-IUODEOHRSA-N 1 2 339.403 0.987 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](N(C)c2cncc(C#N)n2)C1 ZINC001057046845 771992653 /nfs/dbraw/zinc/99/26/53/771992653.db2.gz HRJRPZZNHVEEHK-IUODEOHRSA-N 1 2 339.403 0.987 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCCN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C1 ZINC001019907809 772007699 /nfs/dbraw/zinc/00/76/99/772007699.db2.gz IIXQITBVJXHMCW-KBPBESRZSA-N 1 2 346.431 0.993 20 30 ECEDLO C[N@@H+]1CCc2ncnc(N3CCCN(C(=O)C#CC4CC4)CC3)c2C1 ZINC001057135322 772141598 /nfs/dbraw/zinc/14/15/98/772141598.db2.gz UASHGYORYHYQEP-UHFFFAOYSA-N 1 2 339.443 0.917 20 30 ECEDLO C[N@H+]1CCc2ncnc(N3CCCN(C(=O)C#CC4CC4)CC3)c2C1 ZINC001057135322 772141600 /nfs/dbraw/zinc/14/16/00/772141600.db2.gz UASHGYORYHYQEP-UHFFFAOYSA-N 1 2 339.443 0.917 20 30 ECEDLO N#Cc1nccc(NC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)n1 ZINC001057323213 772463923 /nfs/dbraw/zinc/46/39/23/772463923.db2.gz ZWDCIUZIRYIFLN-UHFFFAOYSA-N 1 2 325.376 0.529 20 30 ECEDLO CC(C)C#CC(=O)N(CCO)CCNC(=O)CCCn1cc[nH+]c1 ZINC001057525556 772718909 /nfs/dbraw/zinc/71/89/09/772718909.db2.gz YCKVEMKUBBWZDN-UHFFFAOYSA-N 1 2 334.420 0.260 20 30 ECEDLO N#Cc1nccc(NCC2CCN(C(=O)CCn3cc[nH+]c3)CC2)n1 ZINC001057526381 772719321 /nfs/dbraw/zinc/71/93/21/772719321.db2.gz PJKBOLHWFVFVPP-UHFFFAOYSA-N 1 2 339.403 0.707 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC1CCN(c2nccnc2C#N)CC1 ZINC001057888273 773136473 /nfs/dbraw/zinc/13/64/73/773136473.db2.gz IKSPMZGVTPXQKG-UHFFFAOYSA-N 1 2 325.376 0.708 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)CCc1c[nH]c[nH+]1 ZINC001057901381 773159278 /nfs/dbraw/zinc/15/92/78/773159278.db2.gz QZULDVBGBSCOKG-UONOGXRCSA-N 1 2 336.436 0.738 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)CCc1c[nH+]c[nH]1 ZINC001057901381 773159280 /nfs/dbraw/zinc/15/92/80/773159280.db2.gz QZULDVBGBSCOKG-UONOGXRCSA-N 1 2 336.436 0.738 20 30 ECEDLO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001057941284 773231085 /nfs/dbraw/zinc/23/10/85/773231085.db2.gz OCBAPXJCKYSUOC-CQSZACIVSA-N 1 2 348.447 0.595 20 30 ECEDLO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001057946560 773248197 /nfs/dbraw/zinc/24/81/97/773248197.db2.gz GABSWEYWVFTIQG-CQSZACIVSA-N 1 2 348.447 0.595 20 30 ECEDLO C=CCC(CC=C)C(=O)NCCN(CCO)C(=O)Cc1c[nH+]cn1C ZINC001058157770 773658341 /nfs/dbraw/zinc/65/83/41/773658341.db2.gz HSDBVXDHBQBTDJ-UHFFFAOYSA-N 1 2 348.447 0.668 20 30 ECEDLO C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001039830980 783170110 /nfs/dbraw/zinc/17/01/10/783170110.db2.gz MVQFRUMUIOQBLT-RDTXWAMCSA-N 1 2 346.431 0.471 20 30 ECEDLO C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001039830980 783170116 /nfs/dbraw/zinc/17/01/16/783170116.db2.gz MVQFRUMUIOQBLT-RDTXWAMCSA-N 1 2 346.431 0.471 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(c2[nH+]cnc3c2cnn3C)C1 ZINC001058548335 774412731 /nfs/dbraw/zinc/41/27/31/774412731.db2.gz MKCKAJOQTITMSX-SCRDCRAPSA-N 1 2 342.403 0.649 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 ZINC001058586344 774482014 /nfs/dbraw/zinc/48/20/14/774482014.db2.gz MFIXAPKIYVHLBB-CYBMUJFWSA-N 1 2 338.371 0.689 20 30 ECEDLO C=CCCCC(=O)N(CCO)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001058624641 774562366 /nfs/dbraw/zinc/56/23/66/774562366.db2.gz CSMDXITTXWULSJ-CQSZACIVSA-N 1 2 336.436 0.882 20 30 ECEDLO C=CCCCC(=O)N(CCO)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001058624641 774562369 /nfs/dbraw/zinc/56/23/69/774562369.db2.gz CSMDXITTXWULSJ-CQSZACIVSA-N 1 2 336.436 0.882 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001044984671 774800305 /nfs/dbraw/zinc/80/03/05/774800305.db2.gz DAUKJLQKLVWBCD-GJZGRUSLSA-N 1 2 348.447 0.811 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CN(c3ccc(C#N)cn3)C[C@H]21 ZINC001040673854 783230743 /nfs/dbraw/zinc/23/07/43/783230743.db2.gz MOQAEEWHYJQSES-GOEBONIOSA-N 1 2 336.399 0.967 20 30 ECEDLO CC(C)C#CC(=O)N1CC2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)CCO2 ZINC001068469399 790336122 /nfs/dbraw/zinc/33/61/22/790336122.db2.gz CUESNBGZNLQVRU-UHFFFAOYSA-N 1 2 330.388 0.051 20 30 ECEDLO C#CCOc1ncccc1C(=O)N(C)C1CN(Cc2c[nH+]cn2C)C1 ZINC001044202310 775912531 /nfs/dbraw/zinc/91/25/31/775912531.db2.gz RCVVKCUQRKVLPJ-UHFFFAOYSA-N 1 2 339.399 0.784 20 30 ECEDLO C#CCC1(C(=O)N2CC(O)(CNC(=O)Cc3[nH]c[nH+]c3C)C2)CCC1 ZINC001044323422 776152113 /nfs/dbraw/zinc/15/21/13/776152113.db2.gz KRDVYBYJCYUACH-UHFFFAOYSA-N 1 2 344.415 0.144 20 30 ECEDLO C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001044323764 776155848 /nfs/dbraw/zinc/15/58/48/776155848.db2.gz UOLMYZCQLVZQSJ-UHFFFAOYSA-N 1 2 346.431 0.719 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001044323980 776156418 /nfs/dbraw/zinc/15/64/18/776156418.db2.gz ZOTZAADGQIJVEC-UHFFFAOYSA-N 1 2 334.420 0.552 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2nc(C)ncc2Cl)[C@@H](n2ccnn2)C1 ZINC001070045897 790439326 /nfs/dbraw/zinc/43/93/26/790439326.db2.gz ZUCOLUYUTOZLPW-OLZOCXBDSA-N 1 2 347.810 0.871 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2nc(C)ncc2Cl)[C@@H](n2ccnn2)C1 ZINC001070045897 790439330 /nfs/dbraw/zinc/43/93/30/790439330.db2.gz ZUCOLUYUTOZLPW-OLZOCXBDSA-N 1 2 347.810 0.871 20 30 ECEDLO Cc1cc(C)c(C(=O)NCC2(O)CN(C(=O)C#CC3CC3)C2)c(C)[nH+]1 ZINC001044584931 776481128 /nfs/dbraw/zinc/48/11/28/776481128.db2.gz JFMYCLLKVIIXFU-UHFFFAOYSA-N 1 2 341.411 0.723 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001079642745 776588859 /nfs/dbraw/zinc/58/88/59/776588859.db2.gz KRZMNHDXOUYNER-VCTAVGKDSA-N 1 2 346.362 0.742 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001079642745 776588869 /nfs/dbraw/zinc/58/88/69/776588869.db2.gz KRZMNHDXOUYNER-VCTAVGKDSA-N 1 2 346.362 0.742 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001079690936 776695470 /nfs/dbraw/zinc/69/54/70/776695470.db2.gz COGNCXGMIAWIDR-KRWDZBQOSA-N 1 2 334.420 0.729 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cn(CCC)nc2C)[C@@H](n2ccnn2)C1 ZINC001070063124 790485249 /nfs/dbraw/zinc/48/52/49/790485249.db2.gz VZHMOMQGCJVBSU-CVEARBPZSA-N 1 2 341.419 0.482 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn(CCC)nc2C)[C@@H](n2ccnn2)C1 ZINC001070063124 790485256 /nfs/dbraw/zinc/48/52/56/790485256.db2.gz VZHMOMQGCJVBSU-CVEARBPZSA-N 1 2 341.419 0.482 20 30 ECEDLO C#CCOCCC(=O)N(CC)C1CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001079772164 776838835 /nfs/dbraw/zinc/83/88/35/776838835.db2.gz JMABBUAJNMSJDG-UHFFFAOYSA-N 1 2 332.404 0.360 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C(C)C)nn2C)[C@@H](n2ccnn2)C1 ZINC001070068185 790497571 /nfs/dbraw/zinc/49/75/71/790497571.db2.gz KZORXSPIWOFOOP-ZBFHGGJFSA-N 1 2 341.419 0.424 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(C)C)nn2C)[C@@H](n2ccnn2)C1 ZINC001070068185 790497577 /nfs/dbraw/zinc/49/75/77/790497577.db2.gz KZORXSPIWOFOOP-ZBFHGGJFSA-N 1 2 341.419 0.424 20 30 ECEDLO CCN(C(=O)Cc1cn2c([nH+]1)CCCC2)C1CN(C(=O)[C@H](C)C#N)C1 ZINC001079901580 777048552 /nfs/dbraw/zinc/04/85/52/777048552.db2.gz RVYNZDBDLRAGBP-CYBMUJFWSA-N 1 2 343.431 0.981 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(C(C)C)c2)[C@@H](n2ccnn2)C1 ZINC001070074046 790513630 /nfs/dbraw/zinc/51/36/30/790513630.db2.gz VSCQRGIUFFXIHU-CVEARBPZSA-N 1 2 341.419 0.734 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnn(C(C)C)c2)[C@@H](n2ccnn2)C1 ZINC001070074046 790513634 /nfs/dbraw/zinc/51/36/34/790513634.db2.gz VSCQRGIUFFXIHU-CVEARBPZSA-N 1 2 341.419 0.734 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001079965059 777164151 /nfs/dbraw/zinc/16/41/51/777164151.db2.gz UQGWUZBJVCXOJW-ZDUSSCGKSA-N 1 2 334.420 0.993 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001079965059 777164154 /nfs/dbraw/zinc/16/41/54/777164154.db2.gz UQGWUZBJVCXOJW-ZDUSSCGKSA-N 1 2 334.420 0.993 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)CCn2cc[nH+]c2)C1 ZINC001080167989 777492873 /nfs/dbraw/zinc/49/28/73/777492873.db2.gz KYELXFPAKNHUJM-CQSZACIVSA-N 1 2 334.420 0.924 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)CCn2cc[nH+]c2)C1 ZINC001080168122 777494486 /nfs/dbraw/zinc/49/44/86/777494486.db2.gz OUFZAQZDVDVVKK-QGZVFWFLSA-N 1 2 334.420 0.660 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)CCc2[nH+]ccn2C)C1 ZINC001080243249 777598768 /nfs/dbraw/zinc/59/87/68/777598768.db2.gz ZCODDDSXLVRUCE-CQSZACIVSA-N 1 2 346.431 0.450 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccnc2OCC)[C@@H](n2ccnn2)C1 ZINC001070086753 790557373 /nfs/dbraw/zinc/55/73/73/790557373.db2.gz LWBZLOYHHIQPJV-CABCVRRESA-N 1 2 340.387 0.360 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccnc2OCC)[C@@H](n2ccnn2)C1 ZINC001070086753 790557378 /nfs/dbraw/zinc/55/73/78/790557378.db2.gz LWBZLOYHHIQPJV-CABCVRRESA-N 1 2 340.387 0.360 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](CC#CC)C[C@@H]1n1ccnn1 ZINC001070088845 790564309 /nfs/dbraw/zinc/56/43/09/790564309.db2.gz IJTBXFMBNJHKRV-MOPGFXCFSA-N 1 2 347.422 0.867 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](CC#CC)C[C@@H]1n1ccnn1 ZINC001070088845 790564314 /nfs/dbraw/zinc/56/43/14/790564314.db2.gz IJTBXFMBNJHKRV-MOPGFXCFSA-N 1 2 347.422 0.867 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001043226441 778008264 /nfs/dbraw/zinc/00/82/64/778008264.db2.gz WKBHTKUBDSZTHE-GUYCJALGSA-N 1 2 348.447 0.880 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001043226441 778008276 /nfs/dbraw/zinc/00/82/76/778008276.db2.gz WKBHTKUBDSZTHE-GUYCJALGSA-N 1 2 348.447 0.880 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001043226792 778008361 /nfs/dbraw/zinc/00/83/61/778008361.db2.gz YWCSPKJEGVODSR-ZDUSSCGKSA-N 1 2 348.447 0.880 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001043226792 778008370 /nfs/dbraw/zinc/00/83/70/778008370.db2.gz YWCSPKJEGVODSR-ZDUSSCGKSA-N 1 2 348.447 0.880 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c(C)noc2CC)[C@@H](n2ccnn2)C1 ZINC001070095129 790586443 /nfs/dbraw/zinc/58/64/43/790586443.db2.gz XETYPIYEHQJTGC-KGLIPLIRSA-N 1 2 342.403 0.816 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)noc2CC)[C@@H](n2ccnn2)C1 ZINC001070095129 790586449 /nfs/dbraw/zinc/58/64/49/790586449.db2.gz XETYPIYEHQJTGC-KGLIPLIRSA-N 1 2 342.403 0.816 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[C@H](CNC(=O)CCc1c[nH]c[nH+]1)O2 ZINC001068586722 790638931 /nfs/dbraw/zinc/63/89/31/790638931.db2.gz JFMLVVXPPHFXRX-GXTWGEPZSA-N 1 2 345.403 0.378 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[C@H](CNC(=O)CCc1c[nH+]c[nH]1)O2 ZINC001068586722 790638936 /nfs/dbraw/zinc/63/89/36/790638936.db2.gz JFMLVVXPPHFXRX-GXTWGEPZSA-N 1 2 345.403 0.378 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)n(C(C)C)n2)[C@@H](n2ccnn2)C1 ZINC001070111460 790641037 /nfs/dbraw/zinc/64/10/37/790641037.db2.gz KBIXLBSJALVBJZ-CVEARBPZSA-N 1 2 341.419 0.652 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)n(C(C)C)n2)[C@@H](n2ccnn2)C1 ZINC001070111460 790641039 /nfs/dbraw/zinc/64/10/39/790641039.db2.gz KBIXLBSJALVBJZ-CVEARBPZSA-N 1 2 341.419 0.652 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NCC1(NC(=O)C#CC2CC2)CCOCC1 ZINC001070111979 790643198 /nfs/dbraw/zinc/64/31/98/790643198.db2.gz IKWFFNAXWZIGQK-UHFFFAOYSA-N 1 2 344.415 0.456 20 30 ECEDLO Cc1csc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2n2ccnn2)n1 ZINC001070159981 790788641 /nfs/dbraw/zinc/78/86/41/790788641.db2.gz YOUVFOXAWWARLS-UHTWSYAYSA-N 1 2 345.432 0.744 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H](C)CCNC(=O)Cc2c[nH]c[nH+]2)nn1 ZINC001078758232 780454216 /nfs/dbraw/zinc/45/42/16/780454216.db2.gz XMUHJNJQNYHOBO-NSHDSACASA-N 1 2 331.380 0.055 20 30 ECEDLO C#CCCCCC(=O)NCC1(O)CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001042658520 780598936 /nfs/dbraw/zinc/59/89/36/780598936.db2.gz KGGWRLWCUNSJLK-UHFFFAOYSA-N 1 2 346.431 0.236 20 30 ECEDLO C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001042664020 780607618 /nfs/dbraw/zinc/60/76/18/780607618.db2.gz LHUXKCZVGHCWLD-CQSZACIVSA-N 1 2 346.431 0.471 20 30 ECEDLO C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001042664020 780607622 /nfs/dbraw/zinc/60/76/22/780607622.db2.gz LHUXKCZVGHCWLD-CQSZACIVSA-N 1 2 346.431 0.471 20 30 ECEDLO C[C@@H](C#N)C(=O)N(C)[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001079061693 780735209 /nfs/dbraw/zinc/73/52/09/780735209.db2.gz JKGRKOKIJYWANT-KBPBESRZSA-N 1 2 331.420 0.962 20 30 ECEDLO CCN(C(=O)CSCC#N)C1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001079342013 781005450 /nfs/dbraw/zinc/00/54/50/781005450.db2.gz WKZCZPIVFRCBFC-UHFFFAOYSA-N 1 2 349.460 0.669 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001079444685 781126796 /nfs/dbraw/zinc/12/67/96/781126796.db2.gz CYPZEZJBEFGOMU-ZDUSSCGKSA-N 1 2 334.420 0.993 20 30 ECEDLO C=CCOCC(=O)N(CC)C1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001079491525 781178514 /nfs/dbraw/zinc/17/85/14/781178514.db2.gz LHKBFJKKROZFRZ-UHFFFAOYSA-N 1 2 334.420 0.949 20 30 ECEDLO C=CCOCC(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001079493814 781181965 /nfs/dbraw/zinc/18/19/65/781181965.db2.gz ICGBPTUZVXBUKL-ZIAGYGMSSA-N 1 2 332.404 0.775 20 30 ECEDLO C=CCOCC(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001079493814 781181968 /nfs/dbraw/zinc/18/19/68/781181968.db2.gz ICGBPTUZVXBUKL-ZIAGYGMSSA-N 1 2 332.404 0.775 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001079547110 781254337 /nfs/dbraw/zinc/25/43/37/781254337.db2.gz KGLVREYWSMQMOB-GDBMZVCRSA-N 1 2 337.464 0.979 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001079547110 781254342 /nfs/dbraw/zinc/25/43/42/781254342.db2.gz KGLVREYWSMQMOB-GDBMZVCRSA-N 1 2 337.464 0.979 20 30 ECEDLO C#CCC1(C(=O)N2CC(N(CC)C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CCC1 ZINC001079547282 781255243 /nfs/dbraw/zinc/25/52/43/781255243.db2.gz POUORJLCCNFADA-INIZCTEOSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CCC1(C(=O)N2CC(N(CC)C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CCC1 ZINC001079547282 781255247 /nfs/dbraw/zinc/25/52/47/781255247.db2.gz POUORJLCCNFADA-INIZCTEOSA-N 1 2 347.459 0.570 20 30 ECEDLO N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cn1 ZINC001041426135 781482311 /nfs/dbraw/zinc/48/23/11/781482311.db2.gz PQMKOYAGIGGCOP-HUUCEWRRSA-N 1 2 349.354 0.204 20 30 ECEDLO N#Cc1cccnc1NC[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC001041506973 781656534 /nfs/dbraw/zinc/65/65/34/781656534.db2.gz VTZVPIPCWQRFNK-HNNXBMFYSA-N 1 2 340.387 0.879 20 30 ECEDLO C[C@@H](CCNC(=O)CCc1[nH+]ccn1C)NC(=O)c1ccc(C#N)[nH]1 ZINC001077791389 781703219 /nfs/dbraw/zinc/70/32/19/781703219.db2.gz HPCYFHDFCYRXNG-LBPRGKRZSA-N 1 2 342.403 0.877 20 30 ECEDLO C[C@@H](CCNC(=O)CCc1c[nH+]cn1C)NC(=O)c1c[nH]c(C#N)c1 ZINC001077813272 781743735 /nfs/dbraw/zinc/74/37/35/781743735.db2.gz DZJFEQLLYPNZGZ-LBPRGKRZSA-N 1 2 342.403 0.877 20 30 ECEDLO C[C@H]1[C@@H](Nc2ncccc2C#N)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001040070170 783481309 /nfs/dbraw/zinc/48/13/09/783481309.db2.gz GTULPQXLEACVAX-QEJZJMRPSA-N 1 2 329.404 0.685 20 30 ECEDLO C[C@H]1[C@@H](Nc2ncccc2C#N)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001040070170 783481312 /nfs/dbraw/zinc/48/13/12/783481312.db2.gz GTULPQXLEACVAX-QEJZJMRPSA-N 1 2 329.404 0.685 20 30 ECEDLO Cc1nc(N[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@H]2C)ccc1C#N ZINC001040071013 783483852 /nfs/dbraw/zinc/48/38/52/783483852.db2.gz SSVVXKBGSVJIQZ-CWRNSKLLSA-N 1 2 343.431 0.994 20 30 ECEDLO Cc1nc(N[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@H]2C)ccc1C#N ZINC001040071013 783483856 /nfs/dbraw/zinc/48/38/56/783483856.db2.gz SSVVXKBGSVJIQZ-CWRNSKLLSA-N 1 2 343.431 0.994 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC1(CNC(=O)[C@H](C)C#N)CCOCC1 ZINC001070183403 783610682 /nfs/dbraw/zinc/61/06/82/783610682.db2.gz GRGDTBCSEBVLMJ-LLVKDONJSA-N 1 2 333.392 0.202 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)c2cccc(C)n2)C1=O ZINC001038079910 783829275 /nfs/dbraw/zinc/82/92/75/783829275.db2.gz NKRLYKZNDIZSRN-GDBMZVCRSA-N 1 2 328.416 0.981 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)c2cccc(C)n2)C1=O ZINC001038079910 783829282 /nfs/dbraw/zinc/82/92/82/783829282.db2.gz NKRLYKZNDIZSRN-GDBMZVCRSA-N 1 2 328.416 0.981 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)c2ccc(F)nc2)C1=O ZINC001038104283 783855025 /nfs/dbraw/zinc/85/50/25/783855025.db2.gz PJFOQKNXTPJACH-ZIAGYGMSSA-N 1 2 332.379 0.812 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)c2ccc(F)nc2)C1=O ZINC001038104283 783855030 /nfs/dbraw/zinc/85/50/30/783855030.db2.gz PJFOQKNXTPJACH-ZIAGYGMSSA-N 1 2 332.379 0.812 20 30 ECEDLO C=C(C)CC[N@@H+]1Cc2cnn(C3CCN(C(=O)C(N)=O)CC3)c2C1 ZINC001070349000 783857073 /nfs/dbraw/zinc/85/70/73/783857073.db2.gz OLDOYMLZCFYUAR-UHFFFAOYSA-N 1 2 331.420 0.814 20 30 ECEDLO C=C(C)CC[N@H+]1Cc2cnn(C3CCN(C(=O)C(N)=O)CC3)c2C1 ZINC001070349000 783857077 /nfs/dbraw/zinc/85/70/77/783857077.db2.gz OLDOYMLZCFYUAR-UHFFFAOYSA-N 1 2 331.420 0.814 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)c2cncc(C)c2)C1=O ZINC001038126158 783887323 /nfs/dbraw/zinc/88/73/23/783887323.db2.gz OZFFMRFRIYFXFM-JKSUJKDBSA-N 1 2 328.416 0.981 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)c2cncc(C)c2)C1=O ZINC001038126158 783887325 /nfs/dbraw/zinc/88/73/25/783887325.db2.gz OZFFMRFRIYFXFM-JKSUJKDBSA-N 1 2 328.416 0.981 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)c2cccc(=O)[nH]2)C1=O ZINC001038134940 783901924 /nfs/dbraw/zinc/90/19/24/783901924.db2.gz URCXTCLJEPBIDF-GXTWGEPZSA-N 1 2 330.388 0.378 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)c2cccc(=O)[nH]2)C1=O ZINC001038134940 783901931 /nfs/dbraw/zinc/90/19/31/783901931.db2.gz URCXTCLJEPBIDF-GXTWGEPZSA-N 1 2 330.388 0.378 20 30 ECEDLO CC(C)N1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)C1=O ZINC001038171659 783947319 /nfs/dbraw/zinc/94/73/19/783947319.db2.gz BEHMOXHDVPOZNY-UKRRQHHQSA-N 1 2 329.404 0.700 20 30 ECEDLO CC(C)N1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)C1=O ZINC001038171659 783947324 /nfs/dbraw/zinc/94/73/24/783947324.db2.gz BEHMOXHDVPOZNY-UKRRQHHQSA-N 1 2 329.404 0.700 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2=COCCO2)C1 ZINC001070903933 784084458 /nfs/dbraw/zinc/08/44/58/784084458.db2.gz ROOBOKNCDYIQNT-MJBXVCDLSA-N 1 2 349.387 0.167 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2=COCCO2)C1 ZINC001070903933 784084462 /nfs/dbraw/zinc/08/44/62/784084462.db2.gz ROOBOKNCDYIQNT-MJBXVCDLSA-N 1 2 349.387 0.167 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)C1CC=CC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442698 784086099 /nfs/dbraw/zinc/08/60/99/784086099.db2.gz MWSVVQDILKSAIG-OAHLLOKOSA-N 1 2 325.416 0.940 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1cocn1)C[C@H]2c1nnc(C)[nH]1 ZINC001070442656 784086697 /nfs/dbraw/zinc/08/66/97/784086697.db2.gz LUVHHPNDUKFLMA-LBPRGKRZSA-N 1 2 326.360 0.276 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)CC(F)(F)F)C[C@@H]2c1nnc(C)[nH]1 ZINC001070443125 784088998 /nfs/dbraw/zinc/08/89/98/784088998.db2.gz YOUPHIPFPVOTCE-LLVKDONJSA-N 1 2 341.337 0.927 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cncnc2)C1 ZINC001070909907 784098073 /nfs/dbraw/zinc/09/80/73/784098073.db2.gz CBPSWRQNSQOOCC-KFWWJZLASA-N 1 2 343.387 0.382 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cncnc2)C1 ZINC001070909907 784098079 /nfs/dbraw/zinc/09/80/79/784098079.db2.gz CBPSWRQNSQOOCC-KFWWJZLASA-N 1 2 343.387 0.382 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@H](OC)C(C)C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070447358 784101783 /nfs/dbraw/zinc/10/17/83/784101783.db2.gz JBSNUOZYGLZVJU-HUUCEWRRSA-N 1 2 345.447 0.645 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cnco2)C1 ZINC001070916858 784110195 /nfs/dbraw/zinc/11/01/95/784110195.db2.gz ZLOJZVXWXIXZCL-NFAWXSAZSA-N 1 2 344.371 0.417 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cnco2)C1 ZINC001070916858 784110200 /nfs/dbraw/zinc/11/02/00/784110200.db2.gz ZLOJZVXWXIXZCL-NFAWXSAZSA-N 1 2 344.371 0.417 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1ccncn1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070450607 784110785 /nfs/dbraw/zinc/11/07/85/784110785.db2.gz LQTLCNKVYLZWKT-CYBMUJFWSA-N 1 2 337.387 0.078 20 30 ECEDLO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2cn(C)cn2)o1 ZINC001070476648 784158858 /nfs/dbraw/zinc/15/88/58/784158858.db2.gz UEIMRTDPWURSIG-VHRBIJSZSA-N 1 2 343.391 0.355 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001070553295 784264559 /nfs/dbraw/zinc/26/45/59/784264559.db2.gz IVMBZGDFZLAYSO-HUUCEWRRSA-N 1 2 346.431 0.755 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)Cc2cnc(C)o2)CC1 ZINC001070969628 784266297 /nfs/dbraw/zinc/26/62/97/784266297.db2.gz ZKKMMMLIMHPWEP-UHFFFAOYSA-N 1 2 334.420 0.752 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)Cc2cnc(C)o2)CC1 ZINC001070969628 784266303 /nfs/dbraw/zinc/26/63/03/784266303.db2.gz ZKKMMMLIMHPWEP-UHFFFAOYSA-N 1 2 334.420 0.752 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)CCc2nccn2C)CC1 ZINC001070982909 784317195 /nfs/dbraw/zinc/31/71/95/784317195.db2.gz SVIOSLGXUKXWFV-UHFFFAOYSA-N 1 2 347.463 0.579 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)CCc2nccn2C)CC1 ZINC001070982909 784317203 /nfs/dbraw/zinc/31/72/03/784317203.db2.gz SVIOSLGXUKXWFV-UHFFFAOYSA-N 1 2 347.463 0.579 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC(=O)NCC[N@@H+](CC(=C)C)CC2)c1 ZINC001070997423 784359550 /nfs/dbraw/zinc/35/95/50/784359550.db2.gz JJHYLADQSPPJRB-UHFFFAOYSA-N 1 2 340.427 0.903 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC(=O)NCC[N@H+](CC(=C)C)CC2)c1 ZINC001070997423 784359563 /nfs/dbraw/zinc/35/95/63/784359563.db2.gz JJHYLADQSPPJRB-UHFFFAOYSA-N 1 2 340.427 0.903 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)Cc2cnn(C)c2)CC1 ZINC001071011949 784408660 /nfs/dbraw/zinc/40/86/60/784408660.db2.gz ZHDWRTUWNBVJNM-HNNXBMFYSA-N 1 2 347.463 0.435 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)Cc2cnn(C)c2)CC1 ZINC001071011949 784408664 /nfs/dbraw/zinc/40/86/64/784408664.db2.gz ZHDWRTUWNBVJNM-HNNXBMFYSA-N 1 2 347.463 0.435 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)c2cnn(C)c2)CC1 ZINC001071025323 784452868 /nfs/dbraw/zinc/45/28/68/784452868.db2.gz AUTRYOIBNRXGJQ-AWEZNQCLSA-N 1 2 333.436 0.360 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)c2cnn(C)c2)CC1 ZINC001071025323 784452871 /nfs/dbraw/zinc/45/28/71/784452871.db2.gz AUTRYOIBNRXGJQ-AWEZNQCLSA-N 1 2 333.436 0.360 20 30 ECEDLO CCn1ccnc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070642970 784485677 /nfs/dbraw/zinc/48/56/77/784485677.db2.gz DOXPYUIERBTZOT-CHWSQXEVSA-N 1 2 327.392 0.358 20 30 ECEDLO CCc1nnsc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070667148 784523116 /nfs/dbraw/zinc/52/31/16/784523116.db2.gz SXLLCLCHFMZYDA-ZYHUDNBSSA-N 1 2 345.432 0.555 20 30 ECEDLO CCn1nc(C)c(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)n1 ZINC001070723640 784597761 /nfs/dbraw/zinc/59/77/61/784597761.db2.gz HTFQDDIMYKPBIP-CHWSQXEVSA-N 1 2 342.407 0.061 20 30 ECEDLO C[C@H]1CN(C(=O)C#CC2CC2)C[C@]2(CC[N@H+](Cc3cnnn3C)C2)O1 ZINC001071165975 784640249 /nfs/dbraw/zinc/64/02/49/784640249.db2.gz ADECSLOHAYUZBM-KBXCAEBGSA-N 1 2 343.431 0.420 20 30 ECEDLO C[C@H]1CN(C(=O)C#CC2CC2)C[C@]2(CC[N@@H+](Cc3cnnn3C)C2)O1 ZINC001071165975 784640251 /nfs/dbraw/zinc/64/02/51/784640251.db2.gz ADECSLOHAYUZBM-KBXCAEBGSA-N 1 2 343.431 0.420 20 30 ECEDLO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(=O)c(OC)c[nH]1)C[C@H](C)O2 ZINC001071191812 784702859 /nfs/dbraw/zinc/70/28/59/784702859.db2.gz JQZSWZXLYAFKDK-UGSOOPFHSA-N 1 2 345.399 0.322 20 30 ECEDLO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(=O)c(OC)c[nH]1)C[C@H](C)O2 ZINC001071191812 784702863 /nfs/dbraw/zinc/70/28/63/784702863.db2.gz JQZSWZXLYAFKDK-UGSOOPFHSA-N 1 2 345.399 0.322 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3cocn3)C2)C(=O)C1 ZINC001071257029 784857411 /nfs/dbraw/zinc/85/74/11/784857411.db2.gz OQWOXAXTAJYUEF-CQSZACIVSA-N 1 2 330.388 0.447 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3cocn3)C2)C(=O)C1 ZINC001071257029 784857416 /nfs/dbraw/zinc/85/74/16/784857416.db2.gz OQWOXAXTAJYUEF-CQSZACIVSA-N 1 2 330.388 0.447 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3ccns3)C2)C(=O)C1 ZINC001071265521 784887751 /nfs/dbraw/zinc/88/77/51/784887751.db2.gz LGWKVYHYJCIXAR-AWEZNQCLSA-N 1 2 346.456 0.915 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3ccns3)C2)C(=O)C1 ZINC001071265521 784887754 /nfs/dbraw/zinc/88/77/54/784887754.db2.gz LGWKVYHYJCIXAR-AWEZNQCLSA-N 1 2 346.456 0.915 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3csnn3)C2)C(=O)C1 ZINC001071268812 784896507 /nfs/dbraw/zinc/89/65/07/784896507.db2.gz BCTVKBMZLSCSFV-ZDUSSCGKSA-N 1 2 347.444 0.310 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3csnn3)C2)C(=O)C1 ZINC001071268812 784896511 /nfs/dbraw/zinc/89/65/11/784896511.db2.gz BCTVKBMZLSCSFV-ZDUSSCGKSA-N 1 2 347.444 0.310 20 30 ECEDLO C=CCN1CCN([C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C(=O)C1 ZINC001071276880 784920348 /nfs/dbraw/zinc/92/03/48/784920348.db2.gz DBQGIAAYGIZEJI-OAHLLOKOSA-N 1 2 345.447 0.582 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3cnnn3C)C2)c1 ZINC001071816198 785151357 /nfs/dbraw/zinc/15/13/57/785151357.db2.gz UVOCLJZUXMNFLJ-XJKSGUPXSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3cnnn3C)C2)c1 ZINC001071816198 785151365 /nfs/dbraw/zinc/15/13/65/785151365.db2.gz UVOCLJZUXMNFLJ-XJKSGUPXSA-N 1 2 338.415 0.974 20 30 ECEDLO C=CCOCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001071874456 785253085 /nfs/dbraw/zinc/25/30/85/785253085.db2.gz KBULJTOWKCVBAU-KGLIPLIRSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3cnnn3C)C2)nn1 ZINC001071879750 785262043 /nfs/dbraw/zinc/26/20/43/785262043.db2.gz JTPNYJKEVQLHGG-STQMWFEESA-N 1 2 344.423 0.376 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3cnnn3C)C2)nn1 ZINC001071879750 785262047 /nfs/dbraw/zinc/26/20/47/785262047.db2.gz JTPNYJKEVQLHGG-STQMWFEESA-N 1 2 344.423 0.376 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CN2CCNC(=O)C2)CC[C@H]1C ZINC001071739483 785620074 /nfs/dbraw/zinc/62/00/74/785620074.db2.gz UCOWPMNOMGJFOJ-CHWSQXEVSA-N 1 2 328.844 0.140 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CN2CCNC(=O)C2)CC[C@H]1C ZINC001071739483 785620083 /nfs/dbraw/zinc/62/00/83/785620083.db2.gz UCOWPMNOMGJFOJ-CHWSQXEVSA-N 1 2 328.844 0.140 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001072096481 785662025 /nfs/dbraw/zinc/66/20/25/785662025.db2.gz AAQUXKXXKULKHN-UONOGXRCSA-N 1 2 332.404 0.345 20 30 ECEDLO Cn1nccc1CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 ZINC001074237308 786481026 /nfs/dbraw/zinc/48/10/26/786481026.db2.gz XEFIMEOFGZXZMW-QZTJIDSGSA-N 1 2 342.443 0.678 20 30 ECEDLO Cn1nccc1CC[N@H+]1CCO[C@@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 ZINC001074237308 786481028 /nfs/dbraw/zinc/48/10/28/786481028.db2.gz XEFIMEOFGZXZMW-QZTJIDSGSA-N 1 2 342.443 0.678 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C[C@@H]21 ZINC001074273086 786561292 /nfs/dbraw/zinc/56/12/92/786561292.db2.gz DKKYMKUEAUEMGX-JKSUJKDBSA-N 1 2 331.416 0.877 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C[C@@H]21 ZINC001074273086 786561295 /nfs/dbraw/zinc/56/12/95/786561295.db2.gz DKKYMKUEAUEMGX-JKSUJKDBSA-N 1 2 331.416 0.877 20 30 ECEDLO C=CCCC(=O)N1CCN(C2CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001073551815 786564667 /nfs/dbraw/zinc/56/46/67/786564667.db2.gz ZOMMHIFUVWMWJA-UHFFFAOYSA-N 1 2 331.420 0.273 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N2CC[C@@H]3OCCN(CC#N)[C@@H]3C2)c[nH+]1 ZINC001074275935 786568092 /nfs/dbraw/zinc/56/80/92/786568092.db2.gz CVLPFDPXSGEZGV-CABCVRRESA-N 1 2 331.420 0.752 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnc4nccn4c3)C[C@@H]21 ZINC001074292547 786611039 /nfs/dbraw/zinc/61/10/39/786611039.db2.gz XFKIIAKJKKJUJH-JKSUJKDBSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnc4nccn4c3)C[C@@H]21 ZINC001074292547 786611046 /nfs/dbraw/zinc/61/10/46/786611046.db2.gz XFKIIAKJKKJUJH-JKSUJKDBSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)c(C)n[nH]c3=O)C[C@@H]21 ZINC001074309385 786646540 /nfs/dbraw/zinc/64/65/40/786646540.db2.gz DBUSAJKLWZJVRH-LSDHHAIUSA-N 1 2 344.415 0.738 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)c(C)n[nH]c3=O)C[C@@H]21 ZINC001074309385 786646543 /nfs/dbraw/zinc/64/65/43/786646543.db2.gz DBUSAJKLWZJVRH-LSDHHAIUSA-N 1 2 344.415 0.738 20 30 ECEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cncc(OC)n3)C[C@@H]21 ZINC001074350827 786732405 /nfs/dbraw/zinc/73/24/05/786732405.db2.gz DQBYSTQTCSVSET-GJZGRUSLSA-N 1 2 332.404 0.977 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cncc(OC)n3)C[C@@H]21 ZINC001074350827 786732408 /nfs/dbraw/zinc/73/24/08/786732408.db2.gz DQBYSTQTCSVSET-GJZGRUSLSA-N 1 2 332.404 0.977 20 30 ECEDLO C=CC[N@@H+]1CCCO[C@H](CNC(=O)c2coc(S(C)(=O)=O)c2)C1 ZINC001073614001 786771725 /nfs/dbraw/zinc/77/17/25/786771725.db2.gz PETMCUXEUVGVAV-CYBMUJFWSA-N 1 2 342.417 0.690 20 30 ECEDLO C=CC[N@H+]1CCCO[C@H](CNC(=O)c2coc(S(C)(=O)=O)c2)C1 ZINC001073614001 786771732 /nfs/dbraw/zinc/77/17/32/786771732.db2.gz PETMCUXEUVGVAV-CYBMUJFWSA-N 1 2 342.417 0.690 20 30 ECEDLO C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC001073630250 786813484 /nfs/dbraw/zinc/81/34/84/786813484.db2.gz QDVNRSHKMHGDLM-LSDHHAIUSA-N 1 2 344.477 0.737 20 30 ECEDLO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC001073630250 786813488 /nfs/dbraw/zinc/81/34/88/786813488.db2.gz QDVNRSHKMHGDLM-LSDHHAIUSA-N 1 2 344.477 0.737 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CN3CCCCCC3=O)C[C@@H]21 ZINC001074397322 786849506 /nfs/dbraw/zinc/84/95/06/786849506.db2.gz GMIVKDQIRMCPDH-IRXDYDNUSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CN3CCCCCC3=O)C[C@@H]21 ZINC001074397322 786849514 /nfs/dbraw/zinc/84/95/14/786849514.db2.gz GMIVKDQIRMCPDH-IRXDYDNUSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C3CCN(C(C)=O)CC3)C[C@@H]21 ZINC001074402681 786866534 /nfs/dbraw/zinc/86/65/34/786866534.db2.gz KHFACRMUJYOHAU-ROUUACIJSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3CCN(C(C)=O)CC3)C[C@@H]21 ZINC001074402681 786866544 /nfs/dbraw/zinc/86/65/44/786866544.db2.gz KHFACRMUJYOHAU-ROUUACIJSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C[C@H]21 ZINC001074402950 786867177 /nfs/dbraw/zinc/86/71/77/786867177.db2.gz OESPXBKUYZYYJS-SJORKVTESA-N 1 2 341.411 0.724 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C[C@H]21 ZINC001074402950 786867185 /nfs/dbraw/zinc/86/71/85/786867185.db2.gz OESPXBKUYZYYJS-SJORKVTESA-N 1 2 341.411 0.724 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)ccn3)C[C@H]21 ZINC001074416923 786917494 /nfs/dbraw/zinc/91/74/94/786917494.db2.gz FNSLCTVKPTZVCU-CVEARBPZSA-N 1 2 342.399 0.119 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)ccn3)C[C@H]21 ZINC001074416923 786917500 /nfs/dbraw/zinc/91/75/00/786917500.db2.gz FNSLCTVKPTZVCU-CVEARBPZSA-N 1 2 342.399 0.119 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3cn(C)nn3)C[C@@H]21 ZINC001074419312 786927700 /nfs/dbraw/zinc/92/77/00/786927700.db2.gz JUIWSZNZZJLESQ-JKSUJKDBSA-N 1 2 333.436 0.626 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3cn(C)nn3)C[C@@H]21 ZINC001074419312 786927705 /nfs/dbraw/zinc/92/77/05/786927705.db2.gz JUIWSZNZZJLESQ-JKSUJKDBSA-N 1 2 333.436 0.626 20 30 ECEDLO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(=O)c3ccccc3[nH]2)C1 ZINC001073684311 786965212 /nfs/dbraw/zinc/96/52/12/786965212.db2.gz NMCFCPMLZAGUAG-AWEZNQCLSA-N 1 2 339.395 0.982 20 30 ECEDLO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(=O)c3ccccc3[nH]2)C1 ZINC001073684311 786965226 /nfs/dbraw/zinc/96/52/26/786965226.db2.gz NMCFCPMLZAGUAG-AWEZNQCLSA-N 1 2 339.395 0.982 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)C=C(C)C)CC1 ZINC001074449761 786984603 /nfs/dbraw/zinc/98/46/03/786984603.db2.gz LXFCRBQDYVZXOR-INIZCTEOSA-N 1 2 347.459 0.520 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)C=C(C)C)CC1 ZINC001074449761 786984612 /nfs/dbraw/zinc/98/46/12/786984612.db2.gz LXFCRBQDYVZXOR-INIZCTEOSA-N 1 2 347.459 0.520 20 30 ECEDLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1NC(=O)CSCC#N ZINC001073743673 787103520 /nfs/dbraw/zinc/10/35/20/787103520.db2.gz CKCSBJCFYTXZKP-KGLIPLIRSA-N 1 2 349.460 0.883 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001073871002 787409088 /nfs/dbraw/zinc/40/90/88/787409088.db2.gz CDPBQCPCVWUUHF-HUUCEWRRSA-N 1 2 343.855 0.814 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001073871002 787409092 /nfs/dbraw/zinc/40/90/92/787409092.db2.gz CDPBQCPCVWUUHF-HUUCEWRRSA-N 1 2 343.855 0.814 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001074632087 787454184 /nfs/dbraw/zinc/45/41/84/787454184.db2.gz UDWPIPQYIAKZFU-LSDHHAIUSA-N 1 2 348.447 0.811 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC(O)(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001074680159 787576663 /nfs/dbraw/zinc/57/66/63/787576663.db2.gz OSKSGXYRTOADMD-ZIAGYGMSSA-N 1 2 348.447 0.880 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001073959469 787585379 /nfs/dbraw/zinc/58/53/79/787585379.db2.gz FKDHNAIYHBDUCD-KBPBESRZSA-N 1 2 332.404 0.345 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001073963475 787594594 /nfs/dbraw/zinc/59/45/94/787594594.db2.gz SKDKYGWYLJLMIL-UKRRQHHQSA-N 1 2 332.404 0.345 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](C)C1 ZINC001074085458 787843695 /nfs/dbraw/zinc/84/36/95/787843695.db2.gz VAOIHAHXMHYVTJ-LSDHHAIUSA-N 1 2 334.420 0.829 20 30 ECEDLO CS(=O)(=O)CC[N@@H+]1CCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001072592394 788386632 /nfs/dbraw/zinc/38/66/32/788386632.db2.gz CLVBVQIRMMSETF-UHFFFAOYSA-N 1 2 336.417 0.079 20 30 ECEDLO CS(=O)(=O)CC[N@H+]1CCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001072592394 788386642 /nfs/dbraw/zinc/38/66/42/788386642.db2.gz CLVBVQIRMMSETF-UHFFFAOYSA-N 1 2 336.417 0.079 20 30 ECEDLO C[C@H](c1nncn1C)[N@@H+]1CCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001072595236 788391802 /nfs/dbraw/zinc/39/18/02/788391802.db2.gz IZLGYBVSEYVHLR-GFCCVEGCSA-N 1 2 339.403 0.924 20 30 ECEDLO C[C@H](c1nncn1C)[N@H+]1CCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001072595236 788391810 /nfs/dbraw/zinc/39/18/10/788391810.db2.gz IZLGYBVSEYVHLR-GFCCVEGCSA-N 1 2 339.403 0.924 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC001074990270 788677263 /nfs/dbraw/zinc/67/72/63/788677263.db2.gz DATYSARGRBTWJR-GJZGRUSLSA-N 1 2 346.431 0.498 20 30 ECEDLO C=CCCOCC(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001075043210 788788027 /nfs/dbraw/zinc/78/80/27/788788027.db2.gz JZHVYTWRENHWOC-HUUCEWRRSA-N 1 2 334.420 0.972 20 30 ECEDLO N#CCN[C@@H]1CCO[C@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001075397915 789325017 /nfs/dbraw/zinc/32/50/17/789325017.db2.gz UGFQTNCLFUFLAG-CVEARBPZSA-N 1 2 331.420 0.782 20 30 ECEDLO N#CCN[C@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001075414997 789342949 /nfs/dbraw/zinc/34/29/49/789342949.db2.gz CIUWSRADNQPYEQ-DOTOQJQBSA-N 1 2 331.420 0.852 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1cn(C)nn1)C2 ZINC001073051081 789348806 /nfs/dbraw/zinc/34/88/06/789348806.db2.gz MTJTWNIFBKKNEQ-HOTGVXAUSA-N 1 2 345.447 0.831 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1cn(C)nn1)C2 ZINC001073051081 789348812 /nfs/dbraw/zinc/34/88/12/789348812.db2.gz MTJTWNIFBKKNEQ-HOTGVXAUSA-N 1 2 345.447 0.831 20 30 ECEDLO N#Cc1ccc(N2CC[C@]3(NC(=O)Cn4cc[nH+]c4)CCC[C@@H]23)nn1 ZINC001069269393 789721214 /nfs/dbraw/zinc/72/12/14/789721214.db2.gz VMVGMZQJVULIDH-RHSMWYFYSA-N 1 2 337.387 0.863 20 30 ECEDLO CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1NC(=O)CSCC#N ZINC001073319907 789731034 /nfs/dbraw/zinc/73/10/34/789731034.db2.gz XCGSKHLYUXMPPU-CYBMUJFWSA-N 1 2 349.460 0.952 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1c1ccnc(C#N)n1 ZINC001069414476 789811220 /nfs/dbraw/zinc/81/12/20/789811220.db2.gz CFWZEESVIAZCJR-DGCLKSJQSA-N 1 2 325.376 0.788 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1c1cncc(C#N)n1 ZINC001069415278 789811244 /nfs/dbraw/zinc/81/12/44/789811244.db2.gz NFYCXRJMCWWJFE-FZMZJTMJSA-N 1 2 325.376 0.788 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1c1ccc(C#N)nn1 ZINC001069416025 789811734 /nfs/dbraw/zinc/81/17/34/789811734.db2.gz ZHZOLQBQBRFCQO-BXUZGUMPSA-N 1 2 325.376 0.788 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC001073472843 789876224 /nfs/dbraw/zinc/87/62/24/789876224.db2.gz OVVFNSFQXRRXMW-ZDUSSCGKSA-N 1 2 334.420 0.898 20 30 ECEDLO C[C@@H](C#N)C(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC001073484685 789888983 /nfs/dbraw/zinc/88/89/83/789888983.db2.gz KCKUMXKLZVBOLW-GXTWGEPZSA-N 1 2 331.420 0.866 20 30 ECEDLO CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1Nc1nccnc1C#N ZINC001069619498 789935769 /nfs/dbraw/zinc/93/57/69/789935769.db2.gz IOTKRRSVVCWWPZ-CYBMUJFWSA-N 1 2 325.376 0.963 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(CC)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069898711 790166733 /nfs/dbraw/zinc/16/67/33/790166733.db2.gz WIWWHXFUQRULDI-CABCVRRESA-N 1 2 327.392 0.242 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(CC)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069898711 790166736 /nfs/dbraw/zinc/16/67/36/790166736.db2.gz WIWWHXFUQRULDI-CABCVRRESA-N 1 2 327.392 0.242 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c(F)cncc2F)[C@@H](n2ccnn2)C1 ZINC001069937937 790212450 /nfs/dbraw/zinc/21/24/50/790212450.db2.gz WNEUOAGMZNKXEY-KGLIPLIRSA-N 1 2 346.341 0.630 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c(F)cncc2F)[C@@H](n2ccnn2)C1 ZINC001069937937 790212452 /nfs/dbraw/zinc/21/24/52/790212452.db2.gz WNEUOAGMZNKXEY-KGLIPLIRSA-N 1 2 346.341 0.630 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)[nH]nc2Cl)[C@@H](n2ccnn2)C1 ZINC001069943234 790220399 /nfs/dbraw/zinc/22/03/99/790220399.db2.gz IOBDNRKDBQIKGX-NEPJUHHUSA-N 1 2 347.810 0.642 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c(C)[nH]nc2Cl)[C@@H](n2ccnn2)C1 ZINC001069943234 790220401 /nfs/dbraw/zinc/22/04/01/790220401.db2.gz IOBDNRKDBQIKGX-NEPJUHHUSA-N 1 2 347.810 0.642 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(OC)c(F)c2)[C@@H](n2ccnn2)C1 ZINC001069949128 790228953 /nfs/dbraw/zinc/22/89/53/790228953.db2.gz DZBSPASRDGUBQQ-CABCVRRESA-N 1 2 343.362 0.714 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)c(F)c2)[C@@H](n2ccnn2)C1 ZINC001069949128 790228956 /nfs/dbraw/zinc/22/89/56/790228956.db2.gz DZBSPASRDGUBQQ-CABCVRRESA-N 1 2 343.362 0.714 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2[nH]nc3ccc(C)cc32)[C@@H](n2ccnn2)C1 ZINC001069968199 790255759 /nfs/dbraw/zinc/25/57/59/790255759.db2.gz MINZPTHVFCKUFI-CVEARBPZSA-N 1 2 349.398 0.751 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2[nH]nc3ccc(C)cc32)[C@@H](n2ccnn2)C1 ZINC001069968199 790255763 /nfs/dbraw/zinc/25/57/63/790255763.db2.gz MINZPTHVFCKUFI-CVEARBPZSA-N 1 2 349.398 0.751 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2coc(OCC)n2)[C@@H](n2ccnn2)C1 ZINC001069969228 790257545 /nfs/dbraw/zinc/25/75/45/790257545.db2.gz JCIJWNNAOKQASC-YPMHNXCESA-N 1 2 332.364 0.506 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2coc(OCC)n2)[C@@H](n2ccnn2)C1 ZINC001069969228 790257550 /nfs/dbraw/zinc/25/75/50/790257550.db2.gz JCIJWNNAOKQASC-YPMHNXCESA-N 1 2 332.364 0.506 20 30 ECEDLO CC(C)C#CC(=O)N[C@H]1COC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001068858873 791279215 /nfs/dbraw/zinc/27/92/15/791279215.db2.gz LKYYFACDAORHDU-OAHLLOKOSA-N 1 2 344.415 0.488 20 30 ECEDLO CC(C)C#CC(=O)N[C@H]1COC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001068858873 791279229 /nfs/dbraw/zinc/27/92/29/791279229.db2.gz LKYYFACDAORHDU-OAHLLOKOSA-N 1 2 344.415 0.488 20 30 ECEDLO CSCC(=O)N1CC[C@@H]([NH+]2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001066697048 792013357 /nfs/dbraw/zinc/01/33/57/792013357.db2.gz XTLGNPXTKGJXTG-CQSZACIVSA-N 1 2 346.460 0.434 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(c3ncccc3C#N)CC2)C1 ZINC001066698744 792019671 /nfs/dbraw/zinc/01/96/71/792019671.db2.gz OCFNKPQBVLRZCA-HOCLYGCPSA-N 1 2 338.415 0.836 20 30 ECEDLO CC[C@H](F)C(=O)N1CC[C@H]([NH+]2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001066701100 792027866 /nfs/dbraw/zinc/02/78/66/792027866.db2.gz PMSWUMGEGXYECD-GJZGRUSLSA-N 1 2 346.410 0.819 20 30 ECEDLO N#Cc1nccnc1N1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001066753836 792103803 /nfs/dbraw/zinc/10/38/03/792103803.db2.gz POAFIWCDQIGPNR-CYBMUJFWSA-N 1 2 325.376 0.720 20 30 ECEDLO N#Cc1nccc(N2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001066753980 792105208 /nfs/dbraw/zinc/10/52/08/792105208.db2.gz SWCXSWRKLWOKGJ-CYBMUJFWSA-N 1 2 325.376 0.720 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@H]1CN(C)c1[nH+]cnc2c1cnn2C ZINC001067742940 792212163 /nfs/dbraw/zinc/21/21/63/792212163.db2.gz RTVQRBBTPZNNDT-NEPJUHHUSA-N 1 2 327.392 0.950 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1)c1ccc(C#N)nn1 ZINC001067771669 792260493 /nfs/dbraw/zinc/26/04/93/792260493.db2.gz DYWPXTJGVVMGKV-CYBMUJFWSA-N 1 2 325.376 0.741 20 30 ECEDLO N#Cc1nccnc1N[C@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001066910798 792361790 /nfs/dbraw/zinc/36/17/90/792361790.db2.gz WKSFMVBDJBXGCN-MRXNPFEDSA-N 1 2 341.375 0.079 20 30 ECEDLO C=CCOCC(=O)N(C)CCCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001067001210 792544354 /nfs/dbraw/zinc/54/43/54/792544354.db2.gz QBJTULFJCCYBLX-HNNXBMFYSA-N 1 2 348.447 0.955 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1Nc1cncc(C#N)n1 ZINC001067085166 792684251 /nfs/dbraw/zinc/68/42/51/792684251.db2.gz WUBAUOVYMYJBJH-YPMHNXCESA-N 1 2 325.376 0.963 20 30 ECEDLO CC1(C)CN(c2cncc(C#N)n2)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001068119786 792705247 /nfs/dbraw/zinc/70/52/47/792705247.db2.gz XQOCXEGXXBJRON-GFCCVEGCSA-N 1 2 325.376 0.645 20 30 ECEDLO Cc1cc(C#N)nc(N[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)n1 ZINC001067114168 792710806 /nfs/dbraw/zinc/71/08/06/792710806.db2.gz PQPDDJMRDLMMTR-RISCZKNCSA-N 1 2 325.376 0.812 20 30 ECEDLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1Nc1cnc(C#N)cn1 ZINC001067123929 792722845 /nfs/dbraw/zinc/72/28/45/792722845.db2.gz YPMUZLBJJONFTI-FZMZJTMJSA-N 1 2 325.376 0.583 20 30 ECEDLO CC1(C)CN(c2cncc(C#N)n2)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001068140148 792735472 /nfs/dbraw/zinc/73/54/72/792735472.db2.gz RHMNZTOUUQZALP-CYBMUJFWSA-N 1 2 325.376 0.645 20 30 ECEDLO Cc1cc(C#N)nc(N[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)n1 ZINC001067138774 792740741 /nfs/dbraw/zinc/74/07/41/792740741.db2.gz MBXVBRMLMYMXBN-MFKMUULPSA-N 1 2 325.376 0.881 20 30 ECEDLO C[C@@H](Nc1ccc(C#N)nn1)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001068246286 792928159 /nfs/dbraw/zinc/92/81/59/792928159.db2.gz WHDHMMCDKZPCAM-RISCZKNCSA-N 1 2 341.375 0.342 20 30 ECEDLO C[C@H](Nc1ccc(C#N)cn1)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001068246247 792928915 /nfs/dbraw/zinc/92/89/15/792928915.db2.gz VLXYFYXRUNOFTB-WFASDCNBSA-N 1 2 340.387 0.947 20 30 ECEDLO C=CCCC(=O)N1CCOC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001068344044 793089092 /nfs/dbraw/zinc/08/90/92/793089092.db2.gz IGYPJIYUCDLXOM-ZIAGYGMSSA-N 1 2 344.415 0.919 20 30 ECEDLO C=CCCC(=O)N1CCOC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001068344044 793089105 /nfs/dbraw/zinc/08/91/05/793089105.db2.gz IGYPJIYUCDLXOM-ZIAGYGMSSA-N 1 2 344.415 0.919 20 30 ECEDLO C[C@H]1CN(c2ccnc(C#N)n2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067403657 793105729 /nfs/dbraw/zinc/10/57/29/793105729.db2.gz QANIJGAKEBNYAJ-STQMWFEESA-N 1 2 325.376 0.576 20 30 ECEDLO C[C@@H]1CN(c2ccnc(C#N)n2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067407256 793109966 /nfs/dbraw/zinc/10/99/66/793109966.db2.gz DGMDKEKFYFFNAA-VXGBXAGGSA-N 1 2 325.376 0.645 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C[C@H]1C ZINC001067407192 793110180 /nfs/dbraw/zinc/11/01/80/793110180.db2.gz CNFXTTVTNIFYLQ-YPMHNXCESA-N 1 2 339.403 0.954 20 30 ECEDLO C[C@H]1CN(c2cnc(C#N)cn2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067441236 793164819 /nfs/dbraw/zinc/16/48/19/793164819.db2.gz WSLJXBPCBUQAQU-SMDDNHRTSA-N 1 2 325.376 0.645 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CCOC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001068435595 793310400 /nfs/dbraw/zinc/31/04/00/793310400.db2.gz UVEOQEJEJMCXKN-AWEZNQCLSA-N 1 2 346.431 0.994 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CCOC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001068438228 793314563 /nfs/dbraw/zinc/31/45/63/793314563.db2.gz QACDGGLIWCLLQZ-OAHLLOKOSA-N 1 2 346.431 0.925 20 30 ECEDLO C=CCCCC(=O)N1CCOC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001068450144 793331377 /nfs/dbraw/zinc/33/13/77/793331377.db2.gz KANMYQQNHDWSPA-UHFFFAOYSA-N 1 2 332.404 0.748 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cc(CC)n[nH]2)C1 ZINC001267449799 837437313 /nfs/dbraw/zinc/43/73/13/837437313.db2.gz FWEMUOUYWAOMJI-OAHLLOKOSA-N 1 2 345.447 0.648 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cc(CC)n[nH]2)C1 ZINC001267449799 837437320 /nfs/dbraw/zinc/43/73/20/837437320.db2.gz FWEMUOUYWAOMJI-OAHLLOKOSA-N 1 2 345.447 0.648 20 30 ECEDLO CCCN(C(=O)Cn1nccc1C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267481310 837535869 /nfs/dbraw/zinc/53/58/69/837535869.db2.gz HRCPCJFKZVRHEX-OAHLLOKOSA-N 1 2 346.435 0.144 20 30 ECEDLO CCCN(C(=O)Cn1nccc1C)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267481310 837535873 /nfs/dbraw/zinc/53/58/73/837535873.db2.gz HRCPCJFKZVRHEX-OAHLLOKOSA-N 1 2 346.435 0.144 20 30 ECEDLO CCC(=O)N1CCC[C@H](C(=O)N(C)CC[NH+]2CCN(CC#N)CC2)C1 ZINC001267571827 837806186 /nfs/dbraw/zinc/80/61/86/837806186.db2.gz AGJWBLUTHQEHMX-INIZCTEOSA-N 1 2 349.479 0.235 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)c1cc(C2CC2)nn1C ZINC001267573338 837814031 /nfs/dbraw/zinc/81/40/31/837814031.db2.gz OVSAYKCXBKLJGT-UHFFFAOYSA-N 1 2 330.436 0.511 20 30 ECEDLO C[C@H](C(=O)Nc1ncccn1)[N@H+](C)CCNC(=O)C#CC(C)(C)C ZINC001266273699 835595882 /nfs/dbraw/zinc/59/58/82/835595882.db2.gz YKNHYRSVMHVTFA-CYBMUJFWSA-N 1 2 331.420 0.901 20 30 ECEDLO C[C@H](C(=O)Nc1ncccn1)[N@@H+](C)CCNC(=O)C#CC(C)(C)C ZINC001266273699 835595885 /nfs/dbraw/zinc/59/58/85/835595885.db2.gz YKNHYRSVMHVTFA-CYBMUJFWSA-N 1 2 331.420 0.901 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(CCNC(=O)[C@@H]2CC=CCC2)CC1 ZINC001266279559 835607371 /nfs/dbraw/zinc/60/73/71/835607371.db2.gz VBVYDNDXVJWZEB-DLBZAZTESA-N 1 2 348.491 0.767 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CCNC(=O)CC2=CCCCC2)CC1 ZINC001266281272 835609558 /nfs/dbraw/zinc/60/95/58/835609558.db2.gz KMGIEXZYUYAVIN-UHFFFAOYSA-N 1 2 348.491 0.913 20 30 ECEDLO COCC#CC[NH+]1CCN(CCNC(=O)c2cncc(C)c2)CC1 ZINC001266281447 835610171 /nfs/dbraw/zinc/61/01/71/835610171.db2.gz OPZBKQIAXRTPKU-UHFFFAOYSA-N 1 2 330.432 0.387 20 30 ECEDLO COCC#CCN1CC[NH+](CCNC(=O)c2cncc(C)c2)CC1 ZINC001266281447 835610176 /nfs/dbraw/zinc/61/01/76/835610176.db2.gz OPZBKQIAXRTPKU-UHFFFAOYSA-N 1 2 330.432 0.387 20 30 ECEDLO C#CCCCC(=O)NCC[NH+]1CCN(Cc2noc(C3CC3)n2)CC1 ZINC001266283468 835614621 /nfs/dbraw/zinc/61/46/21/835614621.db2.gz PBJCTPKRYUWAQM-UHFFFAOYSA-N 1 2 345.447 0.984 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[NH+]1CCN(Cc2cnccc2C)CC1 ZINC001266283582 835614729 /nfs/dbraw/zinc/61/47/29/835614729.db2.gz RSRITYGULZMJEX-LJQANCHMSA-N 1 2 346.475 0.951 20 30 ECEDLO C#CCOCCC(=O)NCC[NH+]1CCN([C@@H](C)c2cnccn2)CC1 ZINC001266283927 835615585 /nfs/dbraw/zinc/61/55/85/835615585.db2.gz YRBIVRKDQCRUIV-INIZCTEOSA-N 1 2 345.447 0.311 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(CCNC(=O)CC2(C)CC2)CC1 ZINC001266287985 835630744 /nfs/dbraw/zinc/63/07/44/835630744.db2.gz NETGBCYZRASMON-OAHLLOKOSA-N 1 2 336.480 0.601 20 30 ECEDLO CCc1nc(C)c(C(=O)NCCN2CC[NH+](CC#CCOC)CC2)o1 ZINC001266294518 835640515 /nfs/dbraw/zinc/64/05/15/835640515.db2.gz AXLWMEMOHKBDJT-UHFFFAOYSA-N 1 2 348.447 0.543 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC001266316370 835684596 /nfs/dbraw/zinc/68/45/96/835684596.db2.gz BRSZTNJGPYQHPM-OAHLLOKOSA-N 1 2 348.447 0.749 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC001266316370 835684598 /nfs/dbraw/zinc/68/45/98/835684598.db2.gz BRSZTNJGPYQHPM-OAHLLOKOSA-N 1 2 348.447 0.749 20 30 ECEDLO CC(C)(C(N)=O)C(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001266325517 835702324 /nfs/dbraw/zinc/70/23/24/835702324.db2.gz OVWDXQLDXLDIFT-CYBMUJFWSA-N 1 2 332.379 0.899 20 30 ECEDLO CC(C)(C(N)=O)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001266325517 835702333 /nfs/dbraw/zinc/70/23/33/835702333.db2.gz OVWDXQLDXLDIFT-CYBMUJFWSA-N 1 2 332.379 0.899 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCCC3)C1 ZINC001266325085 835702572 /nfs/dbraw/zinc/70/25/72/835702572.db2.gz JQWOUITVKLXTMA-KBPBESRZSA-N 1 2 345.447 0.714 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCCC3)C1 ZINC001266325085 835702574 /nfs/dbraw/zinc/70/25/74/835702574.db2.gz JQWOUITVKLXTMA-KBPBESRZSA-N 1 2 345.447 0.714 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnc3n2CCCCC3)C1 ZINC001266326088 835703816 /nfs/dbraw/zinc/70/38/16/835703816.db2.gz XMDIOLZYRHJAHW-CQSZACIVSA-N 1 2 345.447 0.716 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnc3n2CCCCC3)C1 ZINC001266326088 835703822 /nfs/dbraw/zinc/70/38/22/835703822.db2.gz XMDIOLZYRHJAHW-CQSZACIVSA-N 1 2 345.447 0.716 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2n[nH]cc2F)C1 ZINC001266342141 835728164 /nfs/dbraw/zinc/72/81/64/835728164.db2.gz PDYCOGYTDVGOHI-LBPRGKRZSA-N 1 2 337.399 0.778 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)c2n[nH]cc2F)C1 ZINC001266342141 835728168 /nfs/dbraw/zinc/72/81/68/835728168.db2.gz PDYCOGYTDVGOHI-LBPRGKRZSA-N 1 2 337.399 0.778 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC001266342440 835728968 /nfs/dbraw/zinc/72/89/68/835728968.db2.gz OWVFQQPCIMUXJY-YLJYHZDGSA-N 1 2 339.439 0.688 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC001266342440 835728971 /nfs/dbraw/zinc/72/89/71/835728971.db2.gz OWVFQQPCIMUXJY-YLJYHZDGSA-N 1 2 339.439 0.688 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001266342625 835729880 /nfs/dbraw/zinc/72/98/80/835729880.db2.gz SLGZGGIEBHTMHE-QLFBSQMISA-N 1 2 327.388 0.015 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001266342625 835729885 /nfs/dbraw/zinc/72/98/85/835729885.db2.gz SLGZGGIEBHTMHE-QLFBSQMISA-N 1 2 327.388 0.015 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3nsnc32)C1 ZINC001266350923 835747933 /nfs/dbraw/zinc/74/79/33/835747933.db2.gz ZFJGCZVEMZVXJU-LLVKDONJSA-N 1 2 345.428 0.798 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccc3nsnc32)C1 ZINC001266350923 835747943 /nfs/dbraw/zinc/74/79/43/835747943.db2.gz ZFJGCZVEMZVXJU-LLVKDONJSA-N 1 2 345.428 0.798 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)CC3CC3)C2)cn1 ZINC001266353156 835754501 /nfs/dbraw/zinc/75/45/01/835754501.db2.gz PWAYWQUFTOFKPM-KRWDZBQOSA-N 1 2 340.427 0.735 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)CC3CC3)C2)cn1 ZINC001266353156 835754512 /nfs/dbraw/zinc/75/45/12/835754512.db2.gz PWAYWQUFTOFKPM-KRWDZBQOSA-N 1 2 340.427 0.735 20 30 ECEDLO C#CCCCC(=O)NCC[N@@H+](CC)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001266388247 835797408 /nfs/dbraw/zinc/79/74/08/835797408.db2.gz WNRPUMIAOBRWPN-UHFFFAOYSA-N 1 2 344.419 0.811 20 30 ECEDLO C#CCCCC(=O)NCC[N@H+](CC)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001266388247 835797413 /nfs/dbraw/zinc/79/74/13/835797413.db2.gz WNRPUMIAOBRWPN-UHFFFAOYSA-N 1 2 344.419 0.811 20 30 ECEDLO O=C(C#CC1CC1)NC[C@H]1CCC[N@H+]1CC(=O)NCc1cccnc1 ZINC001266461511 835863559 /nfs/dbraw/zinc/86/35/59/835863559.db2.gz QPLHDRKOQOJCQI-QGZVFWFLSA-N 1 2 340.427 0.692 20 30 ECEDLO O=C(C#CC1CC1)NC[C@H]1CCC[N@@H+]1CC(=O)NCc1cccnc1 ZINC001266461511 835863567 /nfs/dbraw/zinc/86/35/67/835863567.db2.gz QPLHDRKOQOJCQI-QGZVFWFLSA-N 1 2 340.427 0.692 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cncc(COC)c1 ZINC001266468991 835872045 /nfs/dbraw/zinc/87/20/45/835872045.db2.gz ZSISTWOEHBHBFP-INIZCTEOSA-N 1 2 344.415 0.172 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cncc(COC)c1 ZINC001266468991 835872052 /nfs/dbraw/zinc/87/20/52/835872052.db2.gz ZSISTWOEHBHBFP-INIZCTEOSA-N 1 2 344.415 0.172 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1c(F)cccc1F ZINC001266492925 835892592 /nfs/dbraw/zinc/89/25/92/835892592.db2.gz ZNPCCLUOTCOLJZ-LBPRGKRZSA-N 1 2 335.354 0.908 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1c(F)cccc1F ZINC001266492925 835892599 /nfs/dbraw/zinc/89/25/99/835892599.db2.gz ZNPCCLUOTCOLJZ-LBPRGKRZSA-N 1 2 335.354 0.908 20 30 ECEDLO Cc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(=O)NCC#N)cnn1 ZINC001266839608 836361297 /nfs/dbraw/zinc/36/12/97/836361297.db2.gz FDPRRODLFDCEHT-CQSZACIVSA-N 1 2 330.392 0.009 20 30 ECEDLO Cc1cc(C(=O)NC[C@H]2CCCC[N@H+]2CC(=O)NCC#N)cnn1 ZINC001266839608 836361303 /nfs/dbraw/zinc/36/13/03/836361303.db2.gz FDPRRODLFDCEHT-CQSZACIVSA-N 1 2 330.392 0.009 20 30 ECEDLO C[C@H]1CN(C(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)C#CC2CC2)CCO1 ZINC001266841913 836367178 /nfs/dbraw/zinc/36/71/78/836367178.db2.gz FBLSJJPITQABLA-RDJZCZTQSA-N 1 2 347.459 0.618 20 30 ECEDLO C[C@H]1CN(C(=O)C[N@H+]2CCCC[C@H]2CNC(=O)C#CC2CC2)CCO1 ZINC001266841913 836367186 /nfs/dbraw/zinc/36/71/86/836367186.db2.gz FBLSJJPITQABLA-RDJZCZTQSA-N 1 2 347.459 0.618 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)CC[NH2+]Cc1nncs1 ZINC001266854573 836387530 /nfs/dbraw/zinc/38/75/30/836387530.db2.gz URASGVAXDQVDCN-GFCCVEGCSA-N 1 2 325.438 0.557 20 30 ECEDLO Cc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(=O)NCC#N)c(C)n1C ZINC001266859181 836398417 /nfs/dbraw/zinc/39/84/17/836398417.db2.gz JFPYURFLSLLNOE-OAHLLOKOSA-N 1 2 345.447 0.866 20 30 ECEDLO Cc1cc(C(=O)NC[C@H]2CCCC[N@H+]2CC(=O)NCC#N)c(C)n1C ZINC001266859181 836398429 /nfs/dbraw/zinc/39/84/29/836398429.db2.gz JFPYURFLSLLNOE-OAHLLOKOSA-N 1 2 345.447 0.866 20 30 ECEDLO C[N@H+](CCNC(=O)[C@@H]1CCc2ccccc2C1)CC(=O)NCC#N ZINC001267218611 837010180 /nfs/dbraw/zinc/01/01/80/837010180.db2.gz AZKLOERULYISMV-MRXNPFEDSA-N 1 2 328.416 0.479 20 30 ECEDLO C[N@@H+](CCNC(=O)[C@@H]1CCc2ccccc2C1)CC(=O)NCC#N ZINC001267218611 837010187 /nfs/dbraw/zinc/01/01/87/837010187.db2.gz AZKLOERULYISMV-MRXNPFEDSA-N 1 2 328.416 0.479 20 30 ECEDLO CC[N@@H+](CC#CCOC)CCNC(=O)[C@]1(C)CCCS1(=O)=O ZINC001267252185 837070420 /nfs/dbraw/zinc/07/04/20/837070420.db2.gz FRKWTGCOXAVCBV-HNNXBMFYSA-N 1 2 330.450 0.042 20 30 ECEDLO CC[N@H+](CC#CCOC)CCNC(=O)[C@]1(C)CCCS1(=O)=O ZINC001267252185 837070424 /nfs/dbraw/zinc/07/04/24/837070424.db2.gz FRKWTGCOXAVCBV-HNNXBMFYSA-N 1 2 330.450 0.042 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1ncc(OC)cc1F ZINC001267268557 837104873 /nfs/dbraw/zinc/10/48/73/837104873.db2.gz ALHVONUCOHXSNA-LBPRGKRZSA-N 1 2 348.378 0.173 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1ncc(OC)cc1F ZINC001267268557 837104879 /nfs/dbraw/zinc/10/48/79/837104879.db2.gz ALHVONUCOHXSNA-LBPRGKRZSA-N 1 2 348.378 0.173 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1cnnn1C ZINC001267277907 837123781 /nfs/dbraw/zinc/12/37/81/837123781.db2.gz COZKPAZCGSQNES-GDBMZVCRSA-N 1 2 348.451 0.367 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1cnnn1C ZINC001267277907 837123790 /nfs/dbraw/zinc/12/37/90/837123790.db2.gz COZKPAZCGSQNES-GDBMZVCRSA-N 1 2 348.451 0.367 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1sccc1OC ZINC001267281650 837130087 /nfs/dbraw/zinc/13/00/87/837130087.db2.gz NZDHEZVFFMRJOD-LBPRGKRZSA-N 1 2 335.429 0.700 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1sccc1OC ZINC001267281650 837130097 /nfs/dbraw/zinc/13/00/97/837130097.db2.gz NZDHEZVFFMRJOD-LBPRGKRZSA-N 1 2 335.429 0.700 20 30 ECEDLO C[C@@]1(C(=O)NCC2=CC[N@H+](CC(=O)NCC#N)CC2)CCCOC1 ZINC001279660919 837244862 /nfs/dbraw/zinc/24/48/62/837244862.db2.gz HMUXYHMURQOHQG-QGZVFWFLSA-N 1 2 334.420 0.191 20 30 ECEDLO C[C@@]1(C(=O)NCC2=CC[N@@H+](CC(=O)NCC#N)CC2)CCCOC1 ZINC001279660919 837244871 /nfs/dbraw/zinc/24/48/71/837244871.db2.gz HMUXYHMURQOHQG-QGZVFWFLSA-N 1 2 334.420 0.191 20 30 ECEDLO C[N@@H+](CC(=O)NCC#N)C[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001267583918 837854093 /nfs/dbraw/zinc/85/40/93/837854093.db2.gz WRJFTVXMMWHOAB-MWLCHTKSSA-N 1 2 338.305 0.307 20 30 ECEDLO C[N@H+](CC(=O)NCC#N)C[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001267583918 837854104 /nfs/dbraw/zinc/85/41/04/837854104.db2.gz WRJFTVXMMWHOAB-MWLCHTKSSA-N 1 2 338.305 0.307 20 30 ECEDLO C[N@@H+](CC(=O)NCC#N)C[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001267583918 837854115 /nfs/dbraw/zinc/85/41/15/837854115.db2.gz WRJFTVXMMWHOAB-MWLCHTKSSA-N 1 2 338.305 0.307 20 30 ECEDLO C[N@H+](CC(=O)NCC#N)C[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001267583918 837854125 /nfs/dbraw/zinc/85/41/25/837854125.db2.gz WRJFTVXMMWHOAB-MWLCHTKSSA-N 1 2 338.305 0.307 20 30 ECEDLO CC(C)C#CC(=O)N(C)CCN1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001267607594 837951143 /nfs/dbraw/zinc/95/11/43/837951143.db2.gz NRSAWWBJLJHAIE-INIZCTEOSA-N 1 2 348.491 0.389 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N(C)CCN1CC[NH+]([C@@H](C)C(=O)NC)CC1 ZINC001267609304 837969622 /nfs/dbraw/zinc/96/96/22/837969622.db2.gz VVCAYVHQHAAOGF-HOTGVXAUSA-N 1 2 338.496 0.799 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N(C)CC[NH+]1CCN([C@@H](C)C(=O)NC)CC1 ZINC001267609304 837969631 /nfs/dbraw/zinc/96/96/31/837969631.db2.gz VVCAYVHQHAAOGF-HOTGVXAUSA-N 1 2 338.496 0.799 20 30 ECEDLO COCC#CCN1CC[NH+](CCN(C)C(=O)c2[nH]c(C)nc2C)CC1 ZINC001267612319 837980699 /nfs/dbraw/zinc/98/06/99/837980699.db2.gz FFKNLQJCPHIDLW-UHFFFAOYSA-N 1 2 347.463 0.366 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)c2ccc(COC)o2)C1 ZINC001267629181 838084170 /nfs/dbraw/zinc/08/41/70/838084170.db2.gz QWLNSXBNVMHKMQ-KBPBESRZSA-N 1 2 347.415 0.758 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2ccc(COC)o2)C1 ZINC001267629181 838084183 /nfs/dbraw/zinc/08/41/83/838084183.db2.gz QWLNSXBNVMHKMQ-KBPBESRZSA-N 1 2 347.415 0.758 20 30 ECEDLO CC#CCCCC(=O)NC1C[NH+](C[C@H](O)COCC(F)(F)F)C1 ZINC001267656430 838166911 /nfs/dbraw/zinc/16/69/11/838166911.db2.gz LQHXZRUWSDQBTI-ZDUSSCGKSA-N 1 2 336.354 0.920 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[NH+]1CC(CNC(=O)c2cnn(C)c2C)C1 ZINC001267675153 838221597 /nfs/dbraw/zinc/22/15/97/838221597.db2.gz OUCZBRYHUSWXHQ-UHFFFAOYSA-N 1 2 347.463 0.815 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC001267686014 838252766 /nfs/dbraw/zinc/25/27/66/838252766.db2.gz KGHZFAUGXQGKEE-UHFFFAOYSA-N 1 2 343.214 0.733 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)c2cc(F)ccc2CC)C1 ZINC001267688423 838256219 /nfs/dbraw/zinc/25/62/19/838256219.db2.gz KFFUZSISRJGJJD-UHFFFAOYSA-N 1 2 331.391 0.799 20 30 ECEDLO C=CCC(C)(C)C(=O)NCC1C[NH+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC001267693448 838277614 /nfs/dbraw/zinc/27/76/14/838277614.db2.gz FTMLQEXWAQHVAO-CQSZACIVSA-N 1 2 337.464 0.884 20 30 ECEDLO C=CC[N@@H+](C)C[C@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001267697252 838290406 /nfs/dbraw/zinc/29/04/06/838290406.db2.gz PLVWLEDUZPPIBG-GFCCVEGCSA-N 1 2 330.392 0.038 20 30 ECEDLO C=CC[N@H+](C)C[C@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001267697252 838290417 /nfs/dbraw/zinc/29/04/17/838290417.db2.gz PLVWLEDUZPPIBG-GFCCVEGCSA-N 1 2 330.392 0.038 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@H](C=C)c2ccccc2)C1 ZINC001267698498 838292354 /nfs/dbraw/zinc/29/23/54/838292354.db2.gz AWZQCQPXHNCEER-QGZVFWFLSA-N 1 2 325.412 0.754 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H](C)Oc2ccccc2)C1 ZINC001267699361 838294558 /nfs/dbraw/zinc/29/45/58/838294558.db2.gz YZHIEABDYPZMGG-LSDHHAIUSA-N 1 2 343.427 0.640 20 30 ECEDLO CCc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC#CCOC)cc(=O)[nH]1 ZINC001267710230 838321517 /nfs/dbraw/zinc/32/15/17/838321517.db2.gz MZXPDIYZOPHPKY-HOTGVXAUSA-N 1 2 329.400 0.898 20 30 ECEDLO CCc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC#CCOC)cc(=O)[nH]1 ZINC001267710230 838321521 /nfs/dbraw/zinc/32/15/21/838321521.db2.gz MZXPDIYZOPHPKY-HOTGVXAUSA-N 1 2 329.400 0.898 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)CCO3)C1 ZINC001267729005 838412447 /nfs/dbraw/zinc/41/24/47/838412447.db2.gz SKNKGZJTWOBSKO-AWEZNQCLSA-N 1 2 328.372 0.065 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)CCO3)C1 ZINC001267729005 838412452 /nfs/dbraw/zinc/41/24/52/838412452.db2.gz SKNKGZJTWOBSKO-AWEZNQCLSA-N 1 2 328.372 0.065 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2c(C)nn(C)c2F)C1 ZINC001267734194 838426747 /nfs/dbraw/zinc/42/67/47/838426747.db2.gz XSZAQEJPZJRPJR-NEPJUHHUSA-N 1 2 337.399 0.362 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2c(C)nn(C)c2F)C1 ZINC001267734194 838426753 /nfs/dbraw/zinc/42/67/53/838426753.db2.gz XSZAQEJPZJRPJR-NEPJUHHUSA-N 1 2 337.399 0.362 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001267738802 838436580 /nfs/dbraw/zinc/43/65/80/838436580.db2.gz CMKFSDQVHPFGQD-YNEHKIRRSA-N 1 2 336.436 0.623 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001267738802 838436587 /nfs/dbraw/zinc/43/65/87/838436587.db2.gz CMKFSDQVHPFGQD-YNEHKIRRSA-N 1 2 336.436 0.623 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)CCOC3)C1 ZINC001267744827 838448561 /nfs/dbraw/zinc/44/85/61/838448561.db2.gz LZJLIHMWNJONBI-QGZVFWFLSA-N 1 2 343.427 0.866 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)CCOC3)C1 ZINC001267744827 838448564 /nfs/dbraw/zinc/44/85/64/838448564.db2.gz LZJLIHMWNJONBI-QGZVFWFLSA-N 1 2 343.427 0.866 20 30 ECEDLO C=CCC1(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(=O)NC(=O)NC)C2)CCC1 ZINC001267749165 838465106 /nfs/dbraw/zinc/46/51/06/838465106.db2.gz NOJFPPYTMYWODG-CHWSQXEVSA-N 1 2 336.436 0.767 20 30 ECEDLO C=CCC1(C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(=O)NC(=O)NC)C2)CCC1 ZINC001267749165 838465109 /nfs/dbraw/zinc/46/51/09/838465109.db2.gz NOJFPPYTMYWODG-CHWSQXEVSA-N 1 2 336.436 0.767 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N[C@H](C)C3CC3)C2)cn1 ZINC001267751605 838473043 /nfs/dbraw/zinc/47/30/43/838473043.db2.gz GACBEPXPLZHHCH-CXAGYDPISA-N 1 2 340.427 0.782 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N[C@H](C)C3CC3)C2)cn1 ZINC001267751605 838473051 /nfs/dbraw/zinc/47/30/51/838473051.db2.gz GACBEPXPLZHHCH-CXAGYDPISA-N 1 2 340.427 0.782 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N[C@H](C)CC)C2)cn1 ZINC001267752014 838473163 /nfs/dbraw/zinc/47/31/63/838473163.db2.gz QZPVSMOTKIUYFW-CZUORRHYSA-N 1 2 328.416 0.782 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N[C@H](C)CC)C2)cn1 ZINC001267752014 838473165 /nfs/dbraw/zinc/47/31/65/838473165.db2.gz QZPVSMOTKIUYFW-CZUORRHYSA-N 1 2 328.416 0.782 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc3occc3[nH]2)C1 ZINC001267764111 838496702 /nfs/dbraw/zinc/49/67/02/838496702.db2.gz RPNIQYOEAFWKHY-GFCCVEGCSA-N 1 2 328.372 0.657 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3occc3[nH]2)C1 ZINC001267764111 838496704 /nfs/dbraw/zinc/49/67/04/838496704.db2.gz RPNIQYOEAFWKHY-GFCCVEGCSA-N 1 2 328.372 0.657 20 30 ECEDLO CCOC1CC(CC(=O)N(C)[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001267770060 838516886 /nfs/dbraw/zinc/51/68/86/838516886.db2.gz FTNFYMWEPGCFHQ-SHARSMKWSA-N 1 2 336.436 0.364 20 30 ECEDLO CCOC1CC(CC(=O)N(C)[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001267770060 838516891 /nfs/dbraw/zinc/51/68/91/838516891.db2.gz FTNFYMWEPGCFHQ-SHARSMKWSA-N 1 2 336.436 0.364 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2cnn(CC3CC3)c2)C1 ZINC001267774655 838537233 /nfs/dbraw/zinc/53/72/33/838537233.db2.gz JANSKCCSJGJHKH-INIZCTEOSA-N 1 2 345.447 0.742 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(CC3CC3)c2)C1 ZINC001267774655 838537237 /nfs/dbraw/zinc/53/72/37/838537237.db2.gz JANSKCCSJGJHKH-INIZCTEOSA-N 1 2 345.447 0.742 20 30 ECEDLO CCN(C(=O)c1ncccc1C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267784730 838559826 /nfs/dbraw/zinc/55/98/26/838559826.db2.gz LTIHVTUCHKPFCP-CQSZACIVSA-N 1 2 329.404 0.566 20 30 ECEDLO CCN(C(=O)c1ncccc1C)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267784730 838559832 /nfs/dbraw/zinc/55/98/32/838559832.db2.gz LTIHVTUCHKPFCP-CQSZACIVSA-N 1 2 329.404 0.566 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)/C(C)=C\C)C2)nn1 ZINC001105207102 838771397 /nfs/dbraw/zinc/77/13/97/838771397.db2.gz FMMXIAAFQQDWIT-MVXISAMASA-N 1 2 346.435 0.408 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)nc2CC)C1 ZINC001267942835 838829983 /nfs/dbraw/zinc/82/99/83/838829983.db2.gz ODDJHBZUKUYPDB-UONOGXRCSA-N 1 2 345.447 0.315 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cn(C)nc2CC)C1 ZINC001267942835 838829999 /nfs/dbraw/zinc/82/99/99/838829999.db2.gz ODDJHBZUKUYPDB-UONOGXRCSA-N 1 2 345.447 0.315 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H](C)c2ccncc2)C1 ZINC001267942856 838830785 /nfs/dbraw/zinc/83/07/85/838830785.db2.gz ONPIECKBMBMRHX-NVXWUHKLSA-N 1 2 342.443 0.905 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)c2ccncc2)C1 ZINC001267942856 838830798 /nfs/dbraw/zinc/83/07/98/838830798.db2.gz ONPIECKBMBMRHX-NVXWUHKLSA-N 1 2 342.443 0.905 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@H](C)C[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001267980737 838919743 /nfs/dbraw/zinc/91/97/43/838919743.db2.gz XLLKPCFXVGELDH-PXAZEXFGSA-N 1 2 347.419 0.192 20 30 ECEDLO C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)C[C@H]2CCCCO2)C1 ZINC001268021160 838996300 /nfs/dbraw/zinc/99/63/00/838996300.db2.gz PNAKTINPUXDXKX-CVEARBPZSA-N 1 2 326.437 0.965 20 30 ECEDLO C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)C[C@H]2CCCCO2)C1 ZINC001268021160 838996306 /nfs/dbraw/zinc/99/63/06/838996306.db2.gz PNAKTINPUXDXKX-CVEARBPZSA-N 1 2 326.437 0.965 20 30 ECEDLO Cn1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C#CC(C)(C)C)C2)cc1=O ZINC001268022469 839000711 /nfs/dbraw/zinc/00/07/11/839000711.db2.gz SBEYHLHRNKMNQN-MRXNPFEDSA-N 1 2 345.443 0.752 20 30 ECEDLO Cn1ccc(C[N@H+]2CCO[C@H](CNC(=O)C#CC(C)(C)C)C2)cc1=O ZINC001268022469 839000727 /nfs/dbraw/zinc/00/07/27/839000727.db2.gz SBEYHLHRNKMNQN-MRXNPFEDSA-N 1 2 345.443 0.752 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)CCNC(=O)c2ccsc2)C1 ZINC001268025187 839019051 /nfs/dbraw/zinc/01/90/51/839019051.db2.gz OHNGNZPBFWKEMK-AWEZNQCLSA-N 1 2 337.445 0.871 20 30 ECEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)CCNC(=O)c2ccsc2)C1 ZINC001268025187 839019060 /nfs/dbraw/zinc/01/90/60/839019060.db2.gz OHNGNZPBFWKEMK-AWEZNQCLSA-N 1 2 337.445 0.871 20 30 ECEDLO CN(C(=O)C[N@@H+]1CCCN(C(=O)c2c[nH]c(C#N)c2)CC1)C1CC1 ZINC000981001553 839307761 /nfs/dbraw/zinc/30/77/61/839307761.db2.gz PGAITSWORNFLCE-UHFFFAOYSA-N 1 2 329.404 0.655 20 30 ECEDLO CN(C(=O)C[N@H+]1CCCN(C(=O)c2c[nH]c(C#N)c2)CC1)C1CC1 ZINC000981001553 839307771 /nfs/dbraw/zinc/30/77/71/839307771.db2.gz PGAITSWORNFLCE-UHFFFAOYSA-N 1 2 329.404 0.655 20 30 ECEDLO Cn1cc[nH+]c1[C@H](NC(=O)Cn1cnc(C#N)n1)c1ccccc1F ZINC000425956290 210124933 /nfs/dbraw/zinc/12/49/33/210124933.db2.gz WGRVHOIMQBIVLV-OAHLLOKOSA-N 1 2 339.334 0.928 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCC(=O)N1CCCCC1 ZINC000328832326 295926537 /nfs/dbraw/zinc/92/65/37/295926537.db2.gz RNXXGHBAQWNVLS-AWEZNQCLSA-N 1 2 326.441 0.613 20 30 ECEDLO N#Cc1cc(S(=O)(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)ccc1F ZINC000123682233 201090550 /nfs/dbraw/zinc/09/05/50/201090550.db2.gz OOCAWCHBIBQZGZ-CYBMUJFWSA-N 1 2 339.392 0.839 20 30 ECEDLO N#Cc1cc(S(=O)(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)ccc1F ZINC000123682233 201090553 /nfs/dbraw/zinc/09/05/53/201090553.db2.gz OOCAWCHBIBQZGZ-CYBMUJFWSA-N 1 2 339.392 0.839 20 30 ECEDLO COCC(=O)N1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000124621055 201097511 /nfs/dbraw/zinc/09/75/11/201097511.db2.gz YLIVLMWPVWHDOU-UHFFFAOYSA-N 1 2 336.417 0.739 20 30 ECEDLO C=CC[C@H](CO)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000273359881 201256475 /nfs/dbraw/zinc/25/64/75/201256475.db2.gz AHZHSLGQEDWLTB-OAHLLOKOSA-N 1 2 347.415 0.511 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000277805883 201307748 /nfs/dbraw/zinc/30/77/48/201307748.db2.gz PQRGJHFMCQKFON-RYUDHWBXSA-N 1 2 331.438 0.286 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000277805883 201307751 /nfs/dbraw/zinc/30/77/51/201307751.db2.gz PQRGJHFMCQKFON-RYUDHWBXSA-N 1 2 331.438 0.286 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000279569463 201319034 /nfs/dbraw/zinc/31/90/34/201319034.db2.gz ZHJDUSVOBREVHO-UHFFFAOYSA-N 1 2 342.374 0.595 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000279569463 201319036 /nfs/dbraw/zinc/31/90/36/201319036.db2.gz ZHJDUSVOBREVHO-UHFFFAOYSA-N 1 2 342.374 0.595 20 30 ECEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)N2CCN(C(C)=O)CC2)n1 ZINC000279724194 201321786 /nfs/dbraw/zinc/32/17/86/201321786.db2.gz MEWPLJBTZBRSLS-HNNXBMFYSA-N 1 2 345.447 0.417 20 30 ECEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)N2CCN(C(C)=O)CC2)n1 ZINC000279724194 201321789 /nfs/dbraw/zinc/32/17/89/201321789.db2.gz MEWPLJBTZBRSLS-HNNXBMFYSA-N 1 2 345.447 0.417 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000278956905 201312314 /nfs/dbraw/zinc/31/23/14/201312314.db2.gz WLEXGEASWVYBQF-OAHLLOKOSA-N 1 2 341.477 0.687 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000278956905 201312316 /nfs/dbraw/zinc/31/23/16/201312316.db2.gz WLEXGEASWVYBQF-OAHLLOKOSA-N 1 2 341.477 0.687 20 30 ECEDLO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccccc1S(C)(=O)=O ZINC000330702253 437592807 /nfs/dbraw/zinc/59/28/07/437592807.db2.gz OSFLXMGKMZUGDI-LBPRGKRZSA-N 1 2 325.434 0.641 20 30 ECEDLO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccccc1S(C)(=O)=O ZINC000330702253 437592805 /nfs/dbraw/zinc/59/28/05/437592805.db2.gz OSFLXMGKMZUGDI-LBPRGKRZSA-N 1 2 325.434 0.641 20 30 ECEDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000444741439 211094336 /nfs/dbraw/zinc/09/43/36/211094336.db2.gz YMHHEACGNYNMFT-GOEBONIOSA-N 1 2 331.372 0.885 20 30 ECEDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000444741439 211094333 /nfs/dbraw/zinc/09/43/33/211094333.db2.gz YMHHEACGNYNMFT-GOEBONIOSA-N 1 2 331.372 0.885 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NCC(F)F)CC2)cc1 ZINC000443913470 211043810 /nfs/dbraw/zinc/04/38/10/211043810.db2.gz AYEWTQSCMSBBFH-UHFFFAOYSA-N 1 2 336.342 0.584 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)/C=C/c1ccc(C#N)cc1 ZINC000267642506 251218501 /nfs/dbraw/zinc/21/85/01/251218501.db2.gz HMILKTSLRBOIDK-DKRLNXSXSA-N 1 2 329.400 0.723 20 30 ECEDLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000176007952 207183025 /nfs/dbraw/zinc/18/30/25/207183025.db2.gz JCKCTUYNQKHVLR-UHFFFAOYSA-N 1 2 348.378 0.817 20 30 ECEDLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(C)c2C#N)CC1 ZINC000177205354 207306601 /nfs/dbraw/zinc/30/66/01/207306601.db2.gz ISAKSGJXVNWHSB-UHFFFAOYSA-N 1 2 344.415 0.986 20 30 ECEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000132765249 254498919 /nfs/dbraw/zinc/49/89/19/254498919.db2.gz OTPYRNIUNBOFBX-UHFFFAOYSA-N 1 2 330.314 0.875 20 30 ECEDLO CN(CCC#N)C(=O)CC[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000132765249 254498920 /nfs/dbraw/zinc/49/89/20/254498920.db2.gz OTPYRNIUNBOFBX-UHFFFAOYSA-N 1 2 330.314 0.875 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000072828870 254485823 /nfs/dbraw/zinc/48/58/23/254485823.db2.gz JLLZXMPKYUHQNE-AWEZNQCLSA-N 1 2 339.461 0.896 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000072828870 254485825 /nfs/dbraw/zinc/48/58/25/254485825.db2.gz JLLZXMPKYUHQNE-AWEZNQCLSA-N 1 2 339.461 0.896 20 30 ECEDLO O=C(NCC[NH+]1CCOCC1)N1CCC(O[C@H]2CCOC2)CC1 ZINC000330058155 254626514 /nfs/dbraw/zinc/62/65/14/254626514.db2.gz YNRLQTRTVRCPJX-HNNXBMFYSA-N 1 2 327.425 0.503 20 30 ECEDLO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(C)(C)S(=O)(=O)C1CC1 ZINC000328849723 254593343 /nfs/dbraw/zinc/59/33/43/254593343.db2.gz YXAZFQRMTWHHKH-LBPRGKRZSA-N 1 2 331.482 0.935 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCOCC2(CCOCC2)C1 ZINC000329758297 254616540 /nfs/dbraw/zinc/61/65/40/254616540.db2.gz NLZFOFDLHVFXJT-OAHLLOKOSA-N 1 2 341.452 0.750 20 30 ECEDLO CC(C)N1C[C@H](NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)CC1=O ZINC000330264714 254632182 /nfs/dbraw/zinc/63/21/82/254632182.db2.gz YGDHBTODNDAJBS-OAHLLOKOSA-N 1 2 348.451 0.461 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000410913417 254766475 /nfs/dbraw/zinc/76/64/75/254766475.db2.gz XBPXOCZKXXYLNG-CABCVRRESA-N 1 2 334.420 0.954 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1COC(=O)N(C)CC ZINC000495770270 255041383 /nfs/dbraw/zinc/04/13/83/255041383.db2.gz MPCARXBOAKAEEG-ZDUSSCGKSA-N 1 2 340.424 0.941 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1COC(=O)N(C)CC ZINC000495770270 255041386 /nfs/dbraw/zinc/04/13/86/255041386.db2.gz MPCARXBOAKAEEG-ZDUSSCGKSA-N 1 2 340.424 0.941 20 30 ECEDLO C[C@@]1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CNC(=O)C1 ZINC000372293446 269865370 /nfs/dbraw/zinc/86/53/70/269865370.db2.gz DQXAVTBFWOGITQ-SFHVURJKSA-N 1 2 326.400 0.729 20 30 ECEDLO Cn1c[nH+]cc1CNC(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000358121662 269936745 /nfs/dbraw/zinc/93/67/45/269936745.db2.gz SRTYYOVJKZAGJZ-UHFFFAOYSA-N 1 2 325.376 0.719 20 30 ECEDLO COCCCNC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000283621637 264135105 /nfs/dbraw/zinc/13/51/05/264135105.db2.gz QWYSDNFCXJYGDL-UHFFFAOYSA-N 1 2 344.415 0.355 20 30 ECEDLO N#Cc1ccnc(N2CC[NH+](C[C@H]3CCCS(=O)(=O)C3)CC2)c1 ZINC000283915647 264168431 /nfs/dbraw/zinc/16/84/31/264168431.db2.gz BZBCOAIFPVKGHT-OAHLLOKOSA-N 1 2 334.445 0.900 20 30 ECEDLO N#Cc1cccnc1N1CCC[N@@H+](CC(=O)NC[C@H]2CCCO2)CC1 ZINC000361598143 270007374 /nfs/dbraw/zinc/00/73/74/270007374.db2.gz PAIRADRLELGUMC-MRXNPFEDSA-N 1 2 343.431 0.761 20 30 ECEDLO N#Cc1cccnc1N1CCC[N@H+](CC(=O)NC[C@H]2CCCO2)CC1 ZINC000361598143 270007375 /nfs/dbraw/zinc/00/73/75/270007375.db2.gz PAIRADRLELGUMC-MRXNPFEDSA-N 1 2 343.431 0.761 20 30 ECEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000362238961 266153114 /nfs/dbraw/zinc/15/31/14/266153114.db2.gz OWHPTWDEFMOTLJ-OAHLLOKOSA-N 1 2 329.404 0.323 20 30 ECEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000362238961 266153115 /nfs/dbraw/zinc/15/31/15/266153115.db2.gz OWHPTWDEFMOTLJ-OAHLLOKOSA-N 1 2 329.404 0.323 20 30 ECEDLO C[C@@H]1C[NH+](CCCNS(=O)(=O)c2cccnc2C#N)C[C@@H](C)O1 ZINC000276978833 267050061 /nfs/dbraw/zinc/05/00/61/267050061.db2.gz GTSAJJIFSPVCPQ-CHWSQXEVSA-N 1 2 338.433 0.731 20 30 ECEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)Nc2ccc(C#N)cn2)C[C@H](C)O1 ZINC000294262166 267050491 /nfs/dbraw/zinc/05/04/91/267050491.db2.gz LKSBXKMSNAZSAD-BETUJISGSA-N 1 2 345.403 0.459 20 30 ECEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)Nc2ccc(C#N)cn2)C[C@H](C)O1 ZINC000294262166 267050494 /nfs/dbraw/zinc/05/04/94/267050494.db2.gz LKSBXKMSNAZSAD-BETUJISGSA-N 1 2 345.403 0.459 20 30 ECEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCCn1cnc(C#N)n1 ZINC000375878020 267063786 /nfs/dbraw/zinc/06/37/86/267063786.db2.gz XNCZTANDEIAAAX-CHWSQXEVSA-N 1 2 325.376 0.433 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccc(C#N)cc1 ZINC000529753586 267332146 /nfs/dbraw/zinc/33/21/46/267332146.db2.gz DCJKZNFUEFPOCB-GOSISDBHSA-N 1 2 329.400 0.904 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccc(C#N)cc1 ZINC000529753586 267332148 /nfs/dbraw/zinc/33/21/48/267332148.db2.gz DCJKZNFUEFPOCB-GOSISDBHSA-N 1 2 329.400 0.904 20 30 ECEDLO N#Cc1ccc(F)c(CS(=O)(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000347145970 268104252 /nfs/dbraw/zinc/10/42/52/268104252.db2.gz BYSCQCGLLHFPPM-CQSZACIVSA-N 1 2 338.408 0.117 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)cc1 ZINC000377670307 268188575 /nfs/dbraw/zinc/18/85/75/268188575.db2.gz IRKPWDKTINYUQR-ZFWWWQNUSA-N 1 2 333.413 0.400 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)cc1 ZINC000377670307 268188577 /nfs/dbraw/zinc/18/85/77/268188577.db2.gz IRKPWDKTINYUQR-ZFWWWQNUSA-N 1 2 333.413 0.400 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)s1 ZINC000373820678 268203924 /nfs/dbraw/zinc/20/39/24/268203924.db2.gz XZOLXZJITCYXST-LLVKDONJSA-N 1 2 327.431 0.761 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)s1 ZINC000373820678 268203928 /nfs/dbraw/zinc/20/39/28/268203928.db2.gz XZOLXZJITCYXST-LLVKDONJSA-N 1 2 327.431 0.761 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)CN1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000374112695 280502480 /nfs/dbraw/zinc/50/24/80/280502480.db2.gz WXCWKDVJBCOBRC-YJBOKZPZSA-N 1 2 349.479 0.327 20 30 ECEDLO C=CC[N@H+](Cc1nnnn1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000343562372 437605259 /nfs/dbraw/zinc/60/52/59/437605259.db2.gz KKFCXKQLYPTCAZ-GFCCVEGCSA-N 1 2 325.380 0.935 20 30 ECEDLO C=CC[N@@H+](Cc1nnnn1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000343562372 437605265 /nfs/dbraw/zinc/60/52/65/437605265.db2.gz KKFCXKQLYPTCAZ-GFCCVEGCSA-N 1 2 325.380 0.935 20 30 ECEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC1([S@@](C)=O)CC1 ZINC000329199285 288710632 /nfs/dbraw/zinc/71/06/32/288710632.db2.gz AXXUDMGTGAOBHO-GPAUDHNESA-N 1 2 329.466 0.607 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCO[C@]4(CCOC4)C3)C[C@H]21 ZINC000329114593 290087805 /nfs/dbraw/zinc/08/78/05/290087805.db2.gz MDAYGBBVWFCEQR-IXYNUQLISA-N 1 2 325.409 0.253 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCO[C@]4(CCOC4)C3)C[C@H]21 ZINC000329114593 290087806 /nfs/dbraw/zinc/08/78/06/290087806.db2.gz MDAYGBBVWFCEQR-IXYNUQLISA-N 1 2 325.409 0.253 20 30 ECEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000190034029 437616349 /nfs/dbraw/zinc/61/63/49/437616349.db2.gz YEDRCMYVGLBXMM-GFCCVEGCSA-N 1 2 330.388 0.330 20 30 ECEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000190034029 437616353 /nfs/dbraw/zinc/61/63/53/437616353.db2.gz YEDRCMYVGLBXMM-GFCCVEGCSA-N 1 2 330.388 0.330 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000333812907 298136431 /nfs/dbraw/zinc/13/64/31/298136431.db2.gz HENSUYDGIRNRPE-RDBSUJKOSA-N 1 2 334.420 0.307 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000333812907 298136433 /nfs/dbraw/zinc/13/64/33/298136433.db2.gz HENSUYDGIRNRPE-RDBSUJKOSA-N 1 2 334.420 0.307 20 30 ECEDLO C=CC[NH+](CC=C)CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000072591969 436048211 /nfs/dbraw/zinc/04/82/11/436048211.db2.gz YYYVUMXZXRJNLE-UHFFFAOYSA-N 1 2 334.420 0.642 20 30 ECEDLO C#CC[NH+](CC#C)CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000072906139 436059579 /nfs/dbraw/zinc/05/95/79/436059579.db2.gz MUZLOYRVMJRFTC-UHFFFAOYSA-N 1 2 329.425 0.601 20 30 ECEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cn1cnc(C#N)n1)c1ccc(F)cc1 ZINC000014144603 436070045 /nfs/dbraw/zinc/07/00/45/436070045.db2.gz FVKNLSHWXDZGRI-HNNXBMFYSA-N 1 2 339.334 0.928 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000025052723 436143114 /nfs/dbraw/zinc/14/31/14/436143114.db2.gz KPTPRAZWJHNPBU-AWEZNQCLSA-N 1 2 349.456 0.567 20 30 ECEDLO C#CCNS(=O)(=O)c1ccc(C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000023238758 436124795 /nfs/dbraw/zinc/12/47/95/436124795.db2.gz FIUOIWQIFRHQCW-UHFFFAOYSA-N 1 2 346.412 0.615 20 30 ECEDLO N#Cc1ccnc(N2CC[NH+](CC(=O)NC(=O)NC3CC3)CC2)c1 ZINC000029445812 436203658 /nfs/dbraw/zinc/20/36/58/436203658.db2.gz VSYKSAQKHWPGIY-UHFFFAOYSA-N 1 2 328.376 0.063 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000030595153 436219742 /nfs/dbraw/zinc/21/97/42/436219742.db2.gz OBILIEBANXRELR-CQSZACIVSA-N 1 2 341.419 0.475 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000076950192 436221286 /nfs/dbraw/zinc/22/12/86/436221286.db2.gz PLXRBFUKAPGCMX-KGLIPLIRSA-N 1 2 329.466 0.589 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000076950192 436221292 /nfs/dbraw/zinc/22/12/92/436221292.db2.gz PLXRBFUKAPGCMX-KGLIPLIRSA-N 1 2 329.466 0.589 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3[C@H](C)COC[C@@H]3C)CC2)o1 ZINC000077366191 436232811 /nfs/dbraw/zinc/23/28/11/436232811.db2.gz TZLJQUDFAJYCKP-BETUJISGSA-N 1 2 347.419 0.613 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3[C@H](C)COC[C@@H]3C)CC2)o1 ZINC000077366191 436232815 /nfs/dbraw/zinc/23/28/15/436232815.db2.gz TZLJQUDFAJYCKP-BETUJISGSA-N 1 2 347.419 0.613 20 30 ECEDLO C[C@H](CNS(=O)(=O)c1cccc(C#N)c1)C[NH+]1CCN(C)CC1 ZINC000077616100 436244088 /nfs/dbraw/zinc/24/40/88/436244088.db2.gz GMABKMNHDWVLBL-CQSZACIVSA-N 1 2 336.461 0.720 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000042331475 436301630 /nfs/dbraw/zinc/30/16/30/436301630.db2.gz WXGIDSAODZLTCD-CVEARBPZSA-N 1 2 335.448 0.899 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(CC(=O)NC2CC2)CC1 ZINC000042627705 436308825 /nfs/dbraw/zinc/30/88/25/436308825.db2.gz QJGQMARFYXSPPK-OAHLLOKOSA-N 1 2 336.480 0.696 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCC#Cc1ccccc1 ZINC000083697816 436374812 /nfs/dbraw/zinc/37/48/12/436374812.db2.gz HRYOQDYGMLVSOZ-KRWDZBQOSA-N 1 2 331.416 0.373 20 30 ECEDLO CC[N@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)Cc1cnn(C)c1 ZINC000091553615 436452566 /nfs/dbraw/zinc/45/25/66/436452566.db2.gz ULGPHOBMMWQZER-KRWDZBQOSA-N 1 2 346.479 0.934 20 30 ECEDLO CC[N@@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)Cc1cnn(C)c1 ZINC000091553615 436452571 /nfs/dbraw/zinc/45/25/71/436452571.db2.gz ULGPHOBMMWQZER-KRWDZBQOSA-N 1 2 346.479 0.934 20 30 ECEDLO CC(C)C[N@H+](CC(N)=O)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000091538497 436453216 /nfs/dbraw/zinc/45/32/16/436453216.db2.gz MTFKFDCVGOYMEA-OAHLLOKOSA-N 1 2 337.468 0.122 20 30 ECEDLO CC(C)C[N@@H+](CC(N)=O)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000091538497 436453218 /nfs/dbraw/zinc/45/32/18/436453218.db2.gz MTFKFDCVGOYMEA-OAHLLOKOSA-N 1 2 337.468 0.122 20 30 ECEDLO C#CCOc1ccccc1C[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000091930971 436464480 /nfs/dbraw/zinc/46/44/80/436464480.db2.gz BJMKCVVLXBDRJJ-UHFFFAOYSA-N 1 2 341.411 0.621 20 30 ECEDLO C[C@@](C#N)(NC(=O)CN(CCC#N)CC[NH+]1CCOCC1)C1CC1 ZINC000096971681 436536047 /nfs/dbraw/zinc/53/60/47/436536047.db2.gz IHSBIFLNNIGESR-KRWDZBQOSA-N 1 2 333.436 0.343 20 30 ECEDLO C#CC[NH+]1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000055017200 436565728 /nfs/dbraw/zinc/56/57/28/436565728.db2.gz AXQVQWREFJZCQU-UHFFFAOYSA-N 1 2 328.170 0.762 20 30 ECEDLO NC(=[NH+]OCC(=O)N1CCOCC1)c1ccc(N2CCCCC2)nc1 ZINC000058498697 436626316 /nfs/dbraw/zinc/62/63/16/436626316.db2.gz TZOVBMKNGYCLSN-UHFFFAOYSA-N 1 2 347.419 0.568 20 30 ECEDLO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1CCC(C#N)CC1 ZINC000057880637 436617476 /nfs/dbraw/zinc/61/74/76/436617476.db2.gz JPGGZLBCEROAQD-LLVKDONJSA-N 1 2 336.417 0.897 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CSc2ccncc2)CC1 ZINC000112904657 436634863 /nfs/dbraw/zinc/63/48/63/436634863.db2.gz KSZIJCIDBZDPDN-UHFFFAOYSA-N 1 2 346.456 0.457 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CSc2ccncc2)CC1 ZINC000112904657 436634864 /nfs/dbraw/zinc/63/48/64/436634864.db2.gz KSZIJCIDBZDPDN-UHFFFAOYSA-N 1 2 346.456 0.457 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CC1 ZINC000116331365 436649605 /nfs/dbraw/zinc/64/96/05/436649605.db2.gz LUUDIUZVPNBPAS-UHFFFAOYSA-N 1 2 347.440 0.302 20 30 ECEDLO CCOC(=O)c1ccc(N2CCC[N@H+](CC(=O)NCC#N)CC2)nc1 ZINC000066497280 436688021 /nfs/dbraw/zinc/68/80/21/436688021.db2.gz HCBDYIQEGMDOIP-UHFFFAOYSA-N 1 2 345.403 0.410 20 30 ECEDLO CCOC(=O)c1ccc(N2CCC[N@@H+](CC(=O)NCC#N)CC2)nc1 ZINC000066497280 436688025 /nfs/dbraw/zinc/68/80/25/436688025.db2.gz HCBDYIQEGMDOIP-UHFFFAOYSA-N 1 2 345.403 0.410 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195304338 436688346 /nfs/dbraw/zinc/68/83/46/436688346.db2.gz AZOWCLSYCZZLRX-HZSPNIEDSA-N 1 2 326.441 0.428 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195304338 436688348 /nfs/dbraw/zinc/68/83/48/436688348.db2.gz AZOWCLSYCZZLRX-HZSPNIEDSA-N 1 2 326.441 0.428 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000120758892 436697683 /nfs/dbraw/zinc/69/76/83/436697683.db2.gz OCGTXEHVUXRYAW-AWEZNQCLSA-N 1 2 329.466 0.567 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000120758892 436697686 /nfs/dbraw/zinc/69/76/86/436697686.db2.gz OCGTXEHVUXRYAW-AWEZNQCLSA-N 1 2 329.466 0.567 20 30 ECEDLO N#Cc1cccnc1N1CCC[N@@H+](CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000067459965 436714330 /nfs/dbraw/zinc/71/43/30/436714330.db2.gz PAIRADRLELGUMC-INIZCTEOSA-N 1 2 343.431 0.761 20 30 ECEDLO N#Cc1cccnc1N1CCC[N@H+](CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000067459965 436714335 /nfs/dbraw/zinc/71/43/35/436714335.db2.gz PAIRADRLELGUMC-INIZCTEOSA-N 1 2 343.431 0.761 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC000065953274 436675264 /nfs/dbraw/zinc/67/52/64/436675264.db2.gz NEDLJLOEXOHUAX-UHFFFAOYSA-N 1 2 343.431 0.992 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC000065953274 436675266 /nfs/dbraw/zinc/67/52/66/436675266.db2.gz NEDLJLOEXOHUAX-UHFFFAOYSA-N 1 2 343.431 0.992 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)C[C@@H](C)CC)CC1 ZINC000123545395 436740434 /nfs/dbraw/zinc/74/04/34/436740434.db2.gz LSZQLFNQQDFJSF-AWEZNQCLSA-N 1 2 329.466 0.119 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)C[C@@H](C)CC)CC1 ZINC000123545395 436740438 /nfs/dbraw/zinc/74/04/38/436740438.db2.gz LSZQLFNQQDFJSF-AWEZNQCLSA-N 1 2 329.466 0.119 20 30 ECEDLO NC(=NOCC(=O)NCC1CC1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000154283981 436776029 /nfs/dbraw/zinc/77/60/29/436776029.db2.gz QLDMHVIFQYRYFQ-UHFFFAOYSA-N 1 2 346.431 0.682 20 30 ECEDLO C[C@@H](C(=O)Nc1ccccc1C#N)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000246300304 436777917 /nfs/dbraw/zinc/77/79/17/436777917.db2.gz BTUHNQQEBBBYIX-GOEBONIOSA-N 1 2 346.431 0.510 20 30 ECEDLO CC#CC[N@H+](C)CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000292901988 436836670 /nfs/dbraw/zinc/83/66/70/436836670.db2.gz AKDQXPIGSWLCEA-UHFFFAOYSA-N 1 2 343.427 0.730 20 30 ECEDLO CC#CC[N@@H+](C)CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000292901988 436836675 /nfs/dbraw/zinc/83/66/75/436836675.db2.gz AKDQXPIGSWLCEA-UHFFFAOYSA-N 1 2 343.427 0.730 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135668237 436922929 /nfs/dbraw/zinc/92/29/29/436922929.db2.gz GFQGGHZZESCTAS-AWEZNQCLSA-N 1 2 342.465 0.248 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135668237 436922933 /nfs/dbraw/zinc/92/29/33/436922933.db2.gz GFQGGHZZESCTAS-AWEZNQCLSA-N 1 2 342.465 0.248 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C#N)oc2C)CC1 ZINC000280637279 436910532 /nfs/dbraw/zinc/91/05/32/436910532.db2.gz MTEOBDQEBWJQNQ-UHFFFAOYSA-N 1 2 328.372 0.357 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C#N)oc2C)CC1 ZINC000280637279 436910535 /nfs/dbraw/zinc/91/05/35/436910535.db2.gz MTEOBDQEBWJQNQ-UHFFFAOYSA-N 1 2 328.372 0.357 20 30 ECEDLO C=CC[C@@H](CC)NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000281495797 436974563 /nfs/dbraw/zinc/97/45/63/436974563.db2.gz QGCMCXRZNJNVDL-CQSZACIVSA-N 1 2 349.435 0.625 20 30 ECEDLO C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)[C@H](C)[NH+]1CCOCC1 ZINC000136198454 436928700 /nfs/dbraw/zinc/92/87/00/436928700.db2.gz DNDHDSVZCBVXPU-RYUDHWBXSA-N 1 2 348.378 0.861 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2=C(C)OCCS2)CC1 ZINC000281031232 436940395 /nfs/dbraw/zinc/94/03/95/436940395.db2.gz VGMVFHYGHPQXTC-UHFFFAOYSA-N 1 2 337.445 0.265 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2=C(C)OCCS2)CC1 ZINC000281031232 436940397 /nfs/dbraw/zinc/94/03/97/436940397.db2.gz VGMVFHYGHPQXTC-UHFFFAOYSA-N 1 2 337.445 0.265 20 30 ECEDLO N#Cc1cc(F)ccc1CS(=O)(=O)NCCC[NH+]1CCOCC1 ZINC000294462164 436957795 /nfs/dbraw/zinc/95/77/95/436957795.db2.gz QOVAMDWQWDZOBZ-UHFFFAOYSA-N 1 2 341.408 0.839 20 30 ECEDLO C#CCNS(=O)(=O)c1ccc(C(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000171757406 436988026 /nfs/dbraw/zinc/98/80/26/436988026.db2.gz UQUABWFWXAVKLE-UHFFFAOYSA-N 1 2 332.385 0.294 20 30 ECEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2nccc(C#N)n2)CC1 ZINC000296614777 436994952 /nfs/dbraw/zinc/99/49/52/436994952.db2.gz UJVPVNWHWJUVME-AWEZNQCLSA-N 1 2 328.420 0.871 20 30 ECEDLO C[C@@H](CO)N(C)C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000297563149 437010075 /nfs/dbraw/zinc/01/00/75/437010075.db2.gz BGNBZDHPSMPSCL-AWEZNQCLSA-N 1 2 344.415 0.042 20 30 ECEDLO CC(C)[C@H](CNS(=O)(=O)CCCCC#N)[NH+]1CCN(C)CC1 ZINC000173452045 437049369 /nfs/dbraw/zinc/04/93/69/437049369.db2.gz JSUZOWBRWFQWBX-HNNXBMFYSA-N 1 2 330.498 0.872 20 30 ECEDLO CNC(=O)[C@@H](NC(=O)CO[NH+]=C(N)[C@@H]1CCCO1)c1ccccc1 ZINC000284378328 437053600 /nfs/dbraw/zinc/05/36/00/437053600.db2.gz LWEDIOGFUZDCKP-JSGCOSHPSA-N 1 2 334.376 0.058 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)COc1ccccc1O ZINC000298817933 437055776 /nfs/dbraw/zinc/05/57/76/437055776.db2.gz YRJUHVWLMHLVQZ-UHFFFAOYSA-N 1 2 333.388 0.845 20 30 ECEDLO C[C@H](NC(=O)c1ccoc1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000299493979 437083795 /nfs/dbraw/zinc/08/37/95/437083795.db2.gz DKZQRFMSOAOHCL-AWEZNQCLSA-N 1 2 348.403 0.472 20 30 ECEDLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)CCO1 ZINC000276347936 437092212 /nfs/dbraw/zinc/09/22/12/437092212.db2.gz HOZCHXAQZTWFBE-JFDDCEBESA-N 1 2 342.399 0.216 20 30 ECEDLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)CCO1 ZINC000276347936 437092215 /nfs/dbraw/zinc/09/22/15/437092215.db2.gz HOZCHXAQZTWFBE-JFDDCEBESA-N 1 2 342.399 0.216 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(c2ncc(C#N)cc2Cl)CC1 ZINC000265123782 437102836 /nfs/dbraw/zinc/10/28/36/437102836.db2.gz KTDQUWNCCWSRDU-UHFFFAOYSA-N 1 2 331.807 0.868 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2ncc(C#N)cc2Cl)CC1 ZINC000265123782 437102841 /nfs/dbraw/zinc/10/28/41/437102841.db2.gz KTDQUWNCCWSRDU-UHFFFAOYSA-N 1 2 331.807 0.868 20 30 ECEDLO Cc1nc(C#N)c(N2CCC(C(=O)NCC[NH+]3CCOCC3)CC2)o1 ZINC000276706267 437151109 /nfs/dbraw/zinc/15/11/09/437151109.db2.gz ZAYCPNNOJVWMPY-UHFFFAOYSA-N 1 2 347.419 0.520 20 30 ECEDLO C#CCNc1nc(N[C@@H](CO)CC=C)[nH+]c(N[C@H](CO)CC=C)n1 ZINC000287033490 437155890 /nfs/dbraw/zinc/15/58/90/437155890.db2.gz WFGQYJFCPJSMEM-BETUJISGSA-N 1 2 332.408 0.615 20 30 ECEDLO C#CCNc1nc(N[C@@H](CO)CC=C)nc(N[C@H](CO)CC=C)[nH+]1 ZINC000287033490 437155897 /nfs/dbraw/zinc/15/58/97/437155897.db2.gz WFGQYJFCPJSMEM-BETUJISGSA-N 1 2 332.408 0.615 20 30 ECEDLO C#CCNc1nc(N[C@H](CO)CC=C)nc(N[C@@H](CO)CC=C)[nH+]1 ZINC000287033490 437155898 /nfs/dbraw/zinc/15/58/98/437155898.db2.gz WFGQYJFCPJSMEM-BETUJISGSA-N 1 2 332.408 0.615 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCOCC3)c2)o1 ZINC000286734376 437125713 /nfs/dbraw/zinc/12/57/13/437125713.db2.gz TUXWOLJRRGNNDV-UHFFFAOYSA-N 1 2 348.384 0.861 20 30 ECEDLO C#Cc1cccc(NC(=O)C(=O)N2CC[NH+](CCOCC)CC2)c1 ZINC000177203024 437173472 /nfs/dbraw/zinc/17/34/72/437173472.db2.gz KFDKXALMTVQZPJ-UHFFFAOYSA-N 1 2 329.400 0.787 20 30 ECEDLO CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)CC(C)(C)CC#N)CC1 ZINC000331888953 437176568 /nfs/dbraw/zinc/17/65/68/437176568.db2.gz DBHUUYGAHSQMHC-UHFFFAOYSA-N 1 2 344.481 0.400 20 30 ECEDLO CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)CC(C)(C)CC#N)CC1 ZINC000331888953 437176572 /nfs/dbraw/zinc/17/65/72/437176572.db2.gz DBHUUYGAHSQMHC-UHFFFAOYSA-N 1 2 344.481 0.400 20 30 ECEDLO O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000329113868 303511988 /nfs/dbraw/zinc/51/19/88/303511988.db2.gz LNKGBLKIAPKDIM-BFYDXBDKSA-N 1 2 339.436 0.645 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000332094736 437207452 /nfs/dbraw/zinc/20/74/52/437207452.db2.gz BJFCVYAVEBMEIR-QGZVFWFLSA-N 1 2 328.416 0.533 20 30 ECEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCc3ncnn3C)cn2)n1 ZINC000178309486 437212330 /nfs/dbraw/zinc/21/23/30/437212330.db2.gz OXCVQNWJYWGOQY-UHFFFAOYSA-N 1 2 326.364 0.850 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000332673516 437242436 /nfs/dbraw/zinc/24/24/36/437242436.db2.gz JCKLGWAUPBQIEE-SJCJKPOMSA-N 1 2 331.420 0.581 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000332673516 437242440 /nfs/dbraw/zinc/24/24/40/437242440.db2.gz JCKLGWAUPBQIEE-SJCJKPOMSA-N 1 2 331.420 0.581 20 30 ECEDLO CS(=O)(=O)N1CCC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000329010736 437303430 /nfs/dbraw/zinc/30/34/30/437303430.db2.gz ZRFRBWDXQZYPFC-RYUDHWBXSA-N 1 2 326.422 0.826 20 30 ECEDLO CN(C)c1[nH+]cccc1CNC(=O)N1CCOC[C@H]1c1ncnn1C ZINC000328884720 437278646 /nfs/dbraw/zinc/27/86/46/437278646.db2.gz NZPQNNGPPDCFPK-ZDUSSCGKSA-N 1 2 345.407 0.764 20 30 ECEDLO N#CC1(C[N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CCC1 ZINC000333652633 437280162 /nfs/dbraw/zinc/28/01/62/437280162.db2.gz FFYLTZITYMPMGY-AWEZNQCLSA-N 1 2 327.450 0.807 20 30 ECEDLO N#CC1(C[N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CCC1 ZINC000333652633 437280164 /nfs/dbraw/zinc/28/01/64/437280164.db2.gz FFYLTZITYMPMGY-AWEZNQCLSA-N 1 2 327.450 0.807 20 30 ECEDLO C=CCN1CC[C@@H](N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)C1=O ZINC000337199117 437340073 /nfs/dbraw/zinc/34/00/73/437340073.db2.gz YNEOARVFQLZXKE-JKSUJKDBSA-N 1 2 334.464 0.402 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN([C@@H](C)C(=O)N3CCCC3)CC2)C1=O ZINC000337199117 437340079 /nfs/dbraw/zinc/34/00/79/437340079.db2.gz YNEOARVFQLZXKE-JKSUJKDBSA-N 1 2 334.464 0.402 20 30 ECEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCC[C@@H]3CO)ccn2)CC1 ZINC000329304238 437349274 /nfs/dbraw/zinc/34/92/74/437349274.db2.gz XUJKVRNRKXOBQB-CQSZACIVSA-N 1 2 347.419 0.471 20 30 ECEDLO CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])N1C[C@@H]3[C@H](C1)OCC[N@@H+]3C)CC2 ZINC000329360929 437356550 /nfs/dbraw/zinc/35/65/50/437356550.db2.gz YGBIRGPZPUWQTK-MCIONIFRSA-N 1 2 348.451 0.645 20 30 ECEDLO CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])N1C[C@@H]3[C@H](C1)OCC[N@H+]3C)CC2 ZINC000329360929 437356558 /nfs/dbraw/zinc/35/65/58/437356558.db2.gz YGBIRGPZPUWQTK-MCIONIFRSA-N 1 2 348.451 0.645 20 30 ECEDLO CC(C)c1nnc2n1C[C@H](NC(=O)N1C[C@@H]3[C@H](C1)OCC[N@@H+]3C)CC2 ZINC000329360929 437356564 /nfs/dbraw/zinc/35/65/64/437356564.db2.gz YGBIRGPZPUWQTK-MCIONIFRSA-N 1 2 348.451 0.645 20 30 ECEDLO CC(C)c1nnc2n1C[C@H](NC(=O)N1C[C@@H]3[C@H](C1)OCC[N@H+]3C)CC2 ZINC000329360929 437356568 /nfs/dbraw/zinc/35/65/68/437356568.db2.gz YGBIRGPZPUWQTK-MCIONIFRSA-N 1 2 348.451 0.645 20 30 ECEDLO COC(=O)c1ccc(CO[NH+]=C(N)CN2CCOCC2)cc1F ZINC000268060249 437360260 /nfs/dbraw/zinc/36/02/60/437360260.db2.gz CYNFUZWONHRSMM-UHFFFAOYSA-N 1 2 325.340 0.733 20 30 ECEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279099611 437373226 /nfs/dbraw/zinc/37/32/26/437373226.db2.gz QOSIDAGFXZKHNM-APPDUMDISA-N 1 2 341.371 0.559 20 30 ECEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279099611 437373227 /nfs/dbraw/zinc/37/32/27/437373227.db2.gz QOSIDAGFXZKHNM-APPDUMDISA-N 1 2 341.371 0.559 20 30 ECEDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@H]1CCCOC1 ZINC000329164897 437328626 /nfs/dbraw/zinc/32/86/26/437328626.db2.gz HAWDOYIKIVKFNY-DZGCQCFKSA-N 1 2 329.466 0.877 20 30 ECEDLO Cc1nnc(CON=C(N)c2cccc(C[NH+]3CCOCC3)c2)n1C ZINC000181882328 437333776 /nfs/dbraw/zinc/33/37/76/437333776.db2.gz AEFSWYASLVMIDM-UHFFFAOYSA-N 1 2 344.419 0.793 20 30 ECEDLO O=C(NCCc1cn2ccccc2[nH+]1)N[C@H]1CCCS(=O)(=O)C1 ZINC000329848643 437420783 /nfs/dbraw/zinc/42/07/83/437420783.db2.gz PPWFMVWMBRYNBC-ZDUSSCGKSA-N 1 2 336.417 0.958 20 30 ECEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3c[nH]nc3C2)C[C@H]1[NH+]1CCOCC1 ZINC000329865275 437423944 /nfs/dbraw/zinc/42/39/44/437423944.db2.gz ADNODWPQDPCQBU-XNRPHZJLSA-N 1 2 333.436 0.834 20 30 ECEDLO C[C@@H]1CN(C(=O)N[C@@H]2CCc3c[nH]nc3C2)C[C@H]1[NH+]1CCOCC1 ZINC000329865275 437423948 /nfs/dbraw/zinc/42/39/48/437423948.db2.gz ADNODWPQDPCQBU-XNRPHZJLSA-N 1 2 333.436 0.834 20 30 ECEDLO C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1nnc2n1CCC2 ZINC000329544580 437382250 /nfs/dbraw/zinc/38/22/50/437382250.db2.gz GDDAMNHYTMDEAI-KGLIPLIRSA-N 1 2 348.451 0.996 20 30 ECEDLO CC(C)C(=O)N1CCC(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CC1 ZINC000329620691 437392545 /nfs/dbraw/zinc/39/25/45/437392545.db2.gz RIIISHHULGALQZ-CABCVRRESA-N 1 2 338.452 0.562 20 30 ECEDLO CC(C)C(=O)N1CCC(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CC1 ZINC000329620691 437392548 /nfs/dbraw/zinc/39/25/48/437392548.db2.gz RIIISHHULGALQZ-CABCVRRESA-N 1 2 338.452 0.562 20 30 ECEDLO CN1C(=O)c2ccc(NC(=O)C[N@@H+]3CCSC[C@@H]3CO)cc2C1=O ZINC000329645137 437397942 /nfs/dbraw/zinc/39/79/42/437397942.db2.gz JFGULCJXNIZBCV-NSHDSACASA-N 1 2 349.412 0.910 20 30 ECEDLO CN1C(=O)c2ccc(NC(=O)C[N@H+]3CCSC[C@@H]3CO)cc2C1=O ZINC000329645137 437397947 /nfs/dbraw/zinc/39/79/47/437397947.db2.gz JFGULCJXNIZBCV-NSHDSACASA-N 1 2 349.412 0.910 20 30 ECEDLO O=C(NCC[NH+]1CCSCC1)NC[C@H]1CCCCS1(=O)=O ZINC000329662322 437399579 /nfs/dbraw/zinc/39/95/79/437399579.db2.gz PJBZTYPMKNPVQD-GFCCVEGCSA-N 1 2 335.495 0.506 20 30 ECEDLO CC(C)(C(=O)N1CCN(c2cccc(C#N)n2)CC1)[NH+]1CCOCC1 ZINC000338187932 437401020 /nfs/dbraw/zinc/40/10/20/437401020.db2.gz XBFBYBNMVQBHGF-UHFFFAOYSA-N 1 2 343.431 0.713 20 30 ECEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186520295 437474423 /nfs/dbraw/zinc/47/44/23/437474423.db2.gz DCVFIMVTNPHHBY-VWYCJHECSA-N 1 2 335.429 0.863 20 30 ECEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186520295 437474426 /nfs/dbraw/zinc/47/44/26/437474426.db2.gz DCVFIMVTNPHHBY-VWYCJHECSA-N 1 2 335.429 0.863 20 30 ECEDLO CN1CCO[C@@H]2C[N@H+](CC(=O)NC[C@@H]3COc4ccccc4O3)C[C@@H]21 ZINC000330249140 437474807 /nfs/dbraw/zinc/47/48/07/437474807.db2.gz GNEGAZNDXLUQGB-JKIFEVAISA-N 1 2 347.415 0.798 20 30 ECEDLO CN1CCO[C@@H]2C[N@@H+](CC(=O)NC[C@@H]3COc4ccccc4O3)C[C@@H]21 ZINC000330249140 437474812 /nfs/dbraw/zinc/47/48/12/437474812.db2.gz GNEGAZNDXLUQGB-JKIFEVAISA-N 1 2 347.415 0.798 20 30 ECEDLO C[C@@H]1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC[S@@]1=O ZINC000330256280 437476883 /nfs/dbraw/zinc/47/68/83/437476883.db2.gz PZJMTCMMMHWUTC-FATZIPQQSA-N 1 2 345.509 0.897 20 30 ECEDLO CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000290316061 437478382 /nfs/dbraw/zinc/47/83/82/437478382.db2.gz VCQNBLZWJQVSJQ-UHFFFAOYSA-N 1 2 348.378 0.863 20 30 ECEDLO CC1(C)COCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000290316061 437478384 /nfs/dbraw/zinc/47/83/84/437478384.db2.gz VCQNBLZWJQVSJQ-UHFFFAOYSA-N 1 2 348.378 0.863 20 30 ECEDLO CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCn3c[nH+]cc3C2)n1 ZINC000290331927 437478834 /nfs/dbraw/zinc/47/88/34/437478834.db2.gz MBWDIFUKBSKYNM-UHFFFAOYSA-N 1 2 341.375 0.687 20 30 ECEDLO CC(=O)N1CCC[C@H](CNC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000329998694 437442829 /nfs/dbraw/zinc/44/28/29/437442829.db2.gz STTVYIFPYFXGDF-GOEBONIOSA-N 1 2 340.468 0.811 20 30 ECEDLO C[C@H](NC(=O)N1CC[C@H](N2CCCC2=O)C1)[C@H](C)[NH+]1CCOCC1 ZINC000330076201 437450929 /nfs/dbraw/zinc/45/09/29/437450929.db2.gz DQJMUGGHYQQGPS-KKUMJFAQSA-N 1 2 338.452 0.706 20 30 ECEDLO Cc1nnc([C@@H]2CCCN(C(=O)N[C@H](C)C[NH+]3CCN(C)CC3)C2)[nH]1 ZINC000330082907 437451946 /nfs/dbraw/zinc/45/19/46/437451946.db2.gz QHYPJZSRJWXEQM-UKRRQHHQSA-N 1 2 349.483 0.842 20 30 ECEDLO CCOC(=O)c1nn(C)cc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000186150419 437462556 /nfs/dbraw/zinc/46/25/56/437462556.db2.gz HQTNUBZGKZOMTA-UHFFFAOYSA-N 1 2 349.435 0.645 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC000339405004 437465361 /nfs/dbraw/zinc/46/53/61/437465361.db2.gz WBOXGTPFGFAIFI-HNNXBMFYSA-N 1 2 344.415 0.431 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC000339405004 437465365 /nfs/dbraw/zinc/46/53/65/437465365.db2.gz WBOXGTPFGFAIFI-HNNXBMFYSA-N 1 2 344.415 0.431 20 30 ECEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCOC2(CCOCC2)C1 ZINC000330184638 437465747 /nfs/dbraw/zinc/46/57/47/437465747.db2.gz QVZIMMGPSIVWRW-HNNXBMFYSA-N 1 2 340.468 0.418 20 30 ECEDLO CC[C@@H]1CN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC[N@@H+]1CCOC ZINC000330377012 437495246 /nfs/dbraw/zinc/49/52/46/437495246.db2.gz DWGXHCKVUQUJEW-UONOGXRCSA-N 1 2 332.470 0.365 20 30 ECEDLO CC[C@@H]1CN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC[N@H+]1CCOC ZINC000330377012 437495248 /nfs/dbraw/zinc/49/52/48/437495248.db2.gz DWGXHCKVUQUJEW-UONOGXRCSA-N 1 2 332.470 0.365 20 30 ECEDLO COC(=O)[C@@H](C)C[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290536761 437499619 /nfs/dbraw/zinc/49/96/19/437499619.db2.gz ZOZQZZHVXWOGHI-NSHDSACASA-N 1 2 325.390 0.468 20 30 ECEDLO COC(=O)[C@@H](C)C[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290536761 437499624 /nfs/dbraw/zinc/49/96/24/437499624.db2.gz ZOZQZZHVXWOGHI-NSHDSACASA-N 1 2 325.390 0.468 20 30 ECEDLO CC(C)OCC[NH+]1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 ZINC000330406994 437501571 /nfs/dbraw/zinc/50/15/71/437501571.db2.gz WXBACICVHXRLAE-AWEZNQCLSA-N 1 2 332.470 0.365 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Cc1c(F)cccc1C#N ZINC000354008499 437504440 /nfs/dbraw/zinc/50/44/40/437504440.db2.gz IQGYEJUPWJBAOI-AWEZNQCLSA-N 1 2 335.379 0.391 20 30 ECEDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000354148186 437544949 /nfs/dbraw/zinc/54/49/49/437544949.db2.gz KNQGTFMFUYWPAJ-OAHLLOKOSA-N 1 2 333.436 0.975 20 30 ECEDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000354148186 437544951 /nfs/dbraw/zinc/54/49/51/437544951.db2.gz KNQGTFMFUYWPAJ-OAHLLOKOSA-N 1 2 333.436 0.975 20 30 ECEDLO C[C@H](Cn1cc[nH+]c1)NC([O-])=[NH+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000330561693 437550901 /nfs/dbraw/zinc/55/09/01/437550901.db2.gz CGHKEBLHMHUHTJ-UPJWGTAASA-N 1 2 343.453 0.636 20 30 ECEDLO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000330561693 437550906 /nfs/dbraw/zinc/55/09/06/437550906.db2.gz CGHKEBLHMHUHTJ-UPJWGTAASA-N 1 2 343.453 0.636 20 30 ECEDLO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000330568242 437553718 /nfs/dbraw/zinc/55/37/18/437553718.db2.gz LTMWJVRWQCZFAT-OLZOCXBDSA-N 1 2 326.441 0.516 20 30 ECEDLO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000330568242 437553722 /nfs/dbraw/zinc/55/37/22/437553722.db2.gz LTMWJVRWQCZFAT-OLZOCXBDSA-N 1 2 326.441 0.516 20 30 ECEDLO C=CCN(C(=O)[C@H](C)C[NH+]1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000330592851 437560723 /nfs/dbraw/zinc/56/07/23/437560723.db2.gz YRRPUIHVVXPKIT-KGLIPLIRSA-N 1 2 330.450 0.156 20 30 ECEDLO O=C(NCC[NH+]1CCOCC1)Nc1ccncc1Br ZINC000330606134 437565914 /nfs/dbraw/zinc/56/59/14/437565914.db2.gz KGUAHKQAHGVYPL-UHFFFAOYSA-N 1 2 329.198 0.924 20 30 ECEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1csc(S(N)(=O)=O)c1 ZINC000330620359 437571545 /nfs/dbraw/zinc/57/15/45/437571545.db2.gz JWHPFGQFRWXAPB-VIFPVBQESA-N 1 2 333.435 0.421 20 30 ECEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1csc(S(N)(=O)=O)c1 ZINC000330620359 437571548 /nfs/dbraw/zinc/57/15/48/437571548.db2.gz JWHPFGQFRWXAPB-VIFPVBQESA-N 1 2 333.435 0.421 20 30 ECEDLO C#CC[NH+]1CCN(CN2C(=O)C[C@H](Cc3ccccc3)C2=O)CC1 ZINC000190513302 437628845 /nfs/dbraw/zinc/62/88/45/437628845.db2.gz CXUOMQZBQZDBHD-KRWDZBQOSA-N 1 2 325.412 0.813 20 30 ECEDLO C=CCOC[C@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)C(=O)OC ZINC000360718344 437634060 /nfs/dbraw/zinc/63/40/60/437634060.db2.gz CNCDGWIYNOWLHQ-AWEZNQCLSA-N 1 2 330.344 0.741 20 30 ECEDLO C#CC[N@@H+](C)CC(=O)NN1C(=O)N[C@@](CC)(c2ccccc2)C1=O ZINC000192236338 437672608 /nfs/dbraw/zinc/67/26/08/437672608.db2.gz HBTCDVIXIPDPRP-KRWDZBQOSA-N 1 2 328.372 0.440 20 30 ECEDLO C#CC[N@H+](C)CC(=O)NN1C(=O)N[C@@](CC)(c2ccccc2)C1=O ZINC000192236338 437672616 /nfs/dbraw/zinc/67/26/16/437672616.db2.gz HBTCDVIXIPDPRP-KRWDZBQOSA-N 1 2 328.372 0.440 20 30 ECEDLO CC[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cn2)CCO1 ZINC000340403800 437640658 /nfs/dbraw/zinc/64/06/58/437640658.db2.gz WTFCFFGCTRNSFR-ZDUSSCGKSA-N 1 2 331.376 0.119 20 30 ECEDLO CC[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cn2)CCO1 ZINC000340403800 437640664 /nfs/dbraw/zinc/64/06/64/437640664.db2.gz WTFCFFGCTRNSFR-ZDUSSCGKSA-N 1 2 331.376 0.119 20 30 ECEDLO Cn1cc[nH+]c1CNC(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000354630527 437645149 /nfs/dbraw/zinc/64/51/49/437645149.db2.gz CDHNIVGHTVEJOK-UHFFFAOYSA-N 1 2 325.376 0.719 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000330974747 437662681 /nfs/dbraw/zinc/66/26/81/437662681.db2.gz DVOZJEBHJNYCSZ-RHSMWYFYSA-N 1 2 332.452 0.985 20 30 ECEDLO Cc1nc(C(=O)N2CCC[N@@H+](CC(=O)NC(C)C)CC2)ccc1C#N ZINC000361448908 437664286 /nfs/dbraw/zinc/66/42/86/437664286.db2.gz CWQPHBSDSPFYFJ-UHFFFAOYSA-N 1 2 343.431 0.934 20 30 ECEDLO Cc1nc(C(=O)N2CCC[N@H+](CC(=O)NC(C)C)CC2)ccc1C#N ZINC000361448908 437664292 /nfs/dbraw/zinc/66/42/92/437664292.db2.gz CWQPHBSDSPFYFJ-UHFFFAOYSA-N 1 2 343.431 0.934 20 30 ECEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1CC(=O)NC(=O)NC(C)(C)C ZINC000330990341 437666799 /nfs/dbraw/zinc/66/67/99/437666799.db2.gz RKDJWORRIXNOSM-SNVBAGLBSA-N 1 2 331.438 0.796 20 30 ECEDLO COC(=O)C[C@@H]1CSCC[N@H+]1CC(=O)NC(=O)NC(C)(C)C ZINC000330990341 437666802 /nfs/dbraw/zinc/66/68/02/437666802.db2.gz RKDJWORRIXNOSM-SNVBAGLBSA-N 1 2 331.438 0.796 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000292408240 437687429 /nfs/dbraw/zinc/68/74/29/437687429.db2.gz YEYKJOYQNCXYEN-CABCVRRESA-N 1 2 334.420 0.829 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(c2ncnc3c2ncn3C2CC2)CC1 ZINC000292639250 437708821 /nfs/dbraw/zinc/70/88/21/437708821.db2.gz FSMZFLWHRLRXJY-UHFFFAOYSA-N 1 2 339.403 0.033 20 30 ECEDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@H]2CCCS2)CCO1 ZINC000331232727 437722422 /nfs/dbraw/zinc/72/24/22/437722422.db2.gz JCDWLXGLHVYQSI-VXGBXAGGSA-N 1 2 330.454 0.964 20 30 ECEDLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@H]2CCCS2)CCO1 ZINC000331232727 437722427 /nfs/dbraw/zinc/72/24/27/437722427.db2.gz JCDWLXGLHVYQSI-VXGBXAGGSA-N 1 2 330.454 0.964 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000331243457 437725973 /nfs/dbraw/zinc/72/59/73/437725973.db2.gz ODLBDMOWVUBNQP-KGLIPLIRSA-N 1 2 342.465 0.247 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000331243457 437725977 /nfs/dbraw/zinc/72/59/77/437725977.db2.gz ODLBDMOWVUBNQP-KGLIPLIRSA-N 1 2 342.465 0.247 20 30 ECEDLO COC[C@@H]1CN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C[C@H](C)O1 ZINC000331256232 437727076 /nfs/dbraw/zinc/72/70/76/437727076.db2.gz BJECZSFPZVIOSO-KBPBESRZSA-N 1 2 329.441 0.747 20 30 ECEDLO COC[C@@H]1CN(C(=O)NCC[N@H+]2CCOCC2(C)C)C[C@H](C)O1 ZINC000331256232 437727082 /nfs/dbraw/zinc/72/70/82/437727082.db2.gz BJECZSFPZVIOSO-KBPBESRZSA-N 1 2 329.441 0.747 20 30 ECEDLO C[C@H](CCS(C)(=O)=O)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000331274720 437730832 /nfs/dbraw/zinc/73/08/32/437730832.db2.gz IBEXVPLRSKDLGN-CHWSQXEVSA-N 1 2 349.497 0.501 20 30 ECEDLO C[C@H](CCS(C)(=O)=O)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000331274720 437730834 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ZINC000495223402 438724885 /nfs/dbraw/zinc/72/48/85/438724885.db2.gz UCBLEAJCVDHHQV-STQMWFEESA-N 1 2 340.424 0.630 20 30 ECEDLO N#CC1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000558231545 438805288 /nfs/dbraw/zinc/80/52/88/438805288.db2.gz KZLUUJWDOYLQFT-HZPDHXFCSA-N 1 2 348.447 0.508 20 30 ECEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1S(=O)(=O)CC1(C#N)CCC1 ZINC000554907091 438770314 /nfs/dbraw/zinc/77/03/14/438770314.db2.gz BAZMEQAHPWAJCJ-KGLIPLIRSA-N 1 2 327.450 0.805 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cnn(CC2CC2)c1 ZINC000601023303 438811041 /nfs/dbraw/zinc/81/10/41/438811041.db2.gz BZBQWVDSCCQLSC-UHFFFAOYSA-N 1 2 331.420 0.981 20 30 ECEDLO N#CCN1CCC(NC(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000588126809 438819419 /nfs/dbraw/zinc/81/94/19/438819419.db2.gz SGWSDERYMWCWIS-CQSZACIVSA-N 1 2 344.419 0.567 20 30 ECEDLO CNS(=O)(=O)CCC[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595632308 438837035 /nfs/dbraw/zinc/83/70/35/438837035.db2.gz MYOIPOJEUMBERJ-UHFFFAOYSA-N 1 2 328.463 0.681 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000562896969 438856570 /nfs/dbraw/zinc/85/65/70/438856570.db2.gz JHCIRWPQAGONTP-YUELXQCFSA-N 1 2 336.436 0.324 20 30 ECEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]1(C#N)CCSC1 ZINC000589308974 438867460 /nfs/dbraw/zinc/86/74/60/438867460.db2.gz BDDSRCUCWNTNOF-XJKSGUPXSA-N 1 2 349.460 0.999 20 30 ECEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@]1(C#N)CCSC1 ZINC000589308974 438867464 /nfs/dbraw/zinc/86/74/64/438867464.db2.gz BDDSRCUCWNTNOF-XJKSGUPXSA-N 1 2 349.460 0.999 20 30 ECEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]1(C#N)CCSC1 ZINC000589308973 438868558 /nfs/dbraw/zinc/86/85/58/438868558.db2.gz BDDSRCUCWNTNOF-CZUORRHYSA-N 1 2 349.460 0.999 20 30 ECEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@]1(C#N)CCSC1 ZINC000589308973 438868562 /nfs/dbraw/zinc/86/85/62/438868562.db2.gz BDDSRCUCWNTNOF-CZUORRHYSA-N 1 2 349.460 0.999 20 30 ECEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCSC[C@@H]1C#N ZINC000564617651 438875318 /nfs/dbraw/zinc/87/53/18/438875318.db2.gz JBVGXNXXAXKAID-UONOGXRCSA-N 1 2 349.460 0.951 20 30 ECEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCSC[C@@H]1C#N ZINC000564617651 438875320 /nfs/dbraw/zinc/87/53/20/438875320.db2.gz JBVGXNXXAXKAID-UONOGXRCSA-N 1 2 349.460 0.951 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC(C[NH+]3CCOCC3)C2)cc1F ZINC000601418522 438884587 /nfs/dbraw/zinc/88/45/87/438884587.db2.gz UWOUBSBZJVKLAX-UHFFFAOYSA-N 1 2 339.392 0.650 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000601424919 438889119 /nfs/dbraw/zinc/88/91/19/438889119.db2.gz RIZSPWUOSLRBDJ-CABCVRRESA-N 1 2 344.481 0.509 20 30 ECEDLO C=C[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000516134168 438893862 /nfs/dbraw/zinc/89/38/62/438893862.db2.gz RNDLXIJFYPOISS-HOTGVXAUSA-N 1 2 335.448 0.734 20 30 ECEDLO CCCCCNC(=O)Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000590597104 438939661 /nfs/dbraw/zinc/93/96/61/438939661.db2.gz ABYFWQFHALHGEW-UHFFFAOYSA-N 1 2 346.431 0.859 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H](c3nnc[nH]3)C2)c1 ZINC000579224482 438991460 /nfs/dbraw/zinc/99/14/60/438991460.db2.gz RGRGZTMEDSIKBR-ZDUSSCGKSA-N 1 2 331.401 0.940 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H](c3nnc[nH]3)C2)c1 ZINC000579224482 438991465 /nfs/dbraw/zinc/99/14/65/438991465.db2.gz RGRGZTMEDSIKBR-ZDUSSCGKSA-N 1 2 331.401 0.940 20 30 ECEDLO COC(=O)CN(CC#N)C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000566445223 439056535 /nfs/dbraw/zinc/05/65/35/439056535.db2.gz YMTWQAIINZXURJ-SECBINFHSA-N 1 2 332.282 0.981 20 30 ECEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000592148791 439166663 /nfs/dbraw/zinc/16/66/63/439166663.db2.gz BVSWDZSTSZAJKN-SFHVURJKSA-N 1 2 342.399 0.868 20 30 ECEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000592148791 439166666 /nfs/dbraw/zinc/16/66/66/439166666.db2.gz BVSWDZSTSZAJKN-SFHVURJKSA-N 1 2 342.399 0.868 20 30 ECEDLO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149333 439167109 /nfs/dbraw/zinc/16/71/09/439167109.db2.gz NDJZVXBEERQRET-QWQRMKEZSA-N 1 2 345.399 0.682 20 30 ECEDLO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149333 439167113 /nfs/dbraw/zinc/16/71/13/439167113.db2.gz NDJZVXBEERQRET-QWQRMKEZSA-N 1 2 345.399 0.682 20 30 ECEDLO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149346 439167480 /nfs/dbraw/zinc/16/74/80/439167480.db2.gz NHMMHTDQIVYLED-SJKOYZFVSA-N 1 2 339.403 1.031 20 30 ECEDLO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149346 439167485 /nfs/dbraw/zinc/16/74/85/439167485.db2.gz NHMMHTDQIVYLED-SJKOYZFVSA-N 1 2 339.403 1.031 20 30 ECEDLO CC[C@H](C)[C@@H](NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)C(=O)OC ZINC000602856716 439145530 /nfs/dbraw/zinc/14/55/30/439145530.db2.gz MMFYXUUPYLPSME-TTZDDIAXSA-N 1 2 338.452 0.608 20 30 ECEDLO CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)C(=O)OC ZINC000602856716 439145534 /nfs/dbraw/zinc/14/55/34/439145534.db2.gz MMFYXUUPYLPSME-TTZDDIAXSA-N 1 2 338.452 0.608 20 30 ECEDLO C=CCNC(=O)CN1CCN(C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000522319098 439152780 /nfs/dbraw/zinc/15/27/80/439152780.db2.gz HLCHLXYTBWUMAR-UHFFFAOYSA-N 1 2 348.451 0.293 20 30 ECEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000592147014 439164632 /nfs/dbraw/zinc/16/46/32/439164632.db2.gz HOHBIDKVWWZFAV-KRWDZBQOSA-N 1 2 348.472 0.743 20 30 ECEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000592147014 439164637 /nfs/dbraw/zinc/16/46/37/439164637.db2.gz HOHBIDKVWWZFAV-KRWDZBQOSA-N 1 2 348.472 0.743 20 30 ECEDLO COCC[N@H+](C)Cc1cn(C[C@@H](O)COc2ccc(C#N)cc2)nn1 ZINC000603256449 439220430 /nfs/dbraw/zinc/22/04/30/439220430.db2.gz GBFXQPCQNHKTAV-MRXNPFEDSA-N 1 2 345.403 0.668 20 30 ECEDLO COCC[N@@H+](C)Cc1cn(C[C@@H](O)COc2ccc(C#N)cc2)nn1 ZINC000603256449 439220434 /nfs/dbraw/zinc/22/04/34/439220434.db2.gz GBFXQPCQNHKTAV-MRXNPFEDSA-N 1 2 345.403 0.668 20 30 ECEDLO N#Cc1ccnc(N2CCN(S(=O)(=O)CCn3cc[nH+]c3)CC2)c1 ZINC000603269399 439223568 /nfs/dbraw/zinc/22/35/68/439223568.db2.gz RANSXBPZQFCQOY-UHFFFAOYSA-N 1 2 346.416 0.302 20 30 ECEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(CC(=O)NC2(C#N)CCC2)CC1 ZINC000525886335 439223859 /nfs/dbraw/zinc/22/38/59/439223859.db2.gz CJHDAYAOZDIACC-HNNXBMFYSA-N 1 2 347.463 0.177 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000592192613 439175089 /nfs/dbraw/zinc/17/50/89/439175089.db2.gz CMJVITCEEWXOSH-AGIUHOORSA-N 1 2 349.412 0.581 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000592192613 439175091 /nfs/dbraw/zinc/17/50/91/439175091.db2.gz CMJVITCEEWXOSH-AGIUHOORSA-N 1 2 349.412 0.581 20 30 ECEDLO COC(=O)[C@H]1C[C@H](O)C[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000592202874 439179662 /nfs/dbraw/zinc/17/96/62/439179662.db2.gz PWKXNAJIRMMDMF-GJZGRUSLSA-N 1 2 331.372 0.030 20 30 ECEDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000592202874 439179665 /nfs/dbraw/zinc/17/96/65/439179665.db2.gz PWKXNAJIRMMDMF-GJZGRUSLSA-N 1 2 331.372 0.030 20 30 ECEDLO N#Cc1cncnc1N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000581485322 439217015 /nfs/dbraw/zinc/21/70/15/439217015.db2.gz LDGLOWUBAJVXCN-UHFFFAOYSA-N 1 2 328.420 0.873 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1cnn2ccccc12 ZINC000592757716 439274463 /nfs/dbraw/zinc/27/44/63/439274463.db2.gz PJPGKTYGLNYBSC-UHFFFAOYSA-N 1 2 341.415 0.951 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\c2ccccc2)CC1 ZINC000490617592 439279836 /nfs/dbraw/zinc/27/98/36/439279836.db2.gz RLZZPFKCTHAOBK-KTKRTIGZSA-N 1 2 325.412 0.984 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\c2ccccc2)CC1 ZINC000490617592 439279843 /nfs/dbraw/zinc/27/98/43/439279843.db2.gz RLZZPFKCTHAOBK-KTKRTIGZSA-N 1 2 325.412 0.984 20 30 ECEDLO C#CCNS(=O)(=O)c1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000490648645 439283165 /nfs/dbraw/zinc/28/31/65/439283165.db2.gz ARBGDILBQMJIFY-UHFFFAOYSA-N 1 2 344.396 0.492 20 30 ECEDLO C#CCN1CCN(C(=O)C[NH2+][C@H](CO)c2c(F)cccc2F)CC1 ZINC000490936630 439315052 /nfs/dbraw/zinc/31/50/52/439315052.db2.gz REALQWXFCPWVLH-OAHLLOKOSA-N 1 2 337.370 0.365 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2nnc(COc3ccccc3)n2)CC1 ZINC000491039940 439323651 /nfs/dbraw/zinc/32/36/51/439323651.db2.gz RDEOAISVORNGEG-UHFFFAOYSA-N 1 2 340.387 0.030 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc3cn[nH]c32)CC1 ZINC000490671367 439285665 /nfs/dbraw/zinc/28/56/65/439285665.db2.gz RVRSWTLJLHTZSB-UHFFFAOYSA-N 1 2 339.399 0.460 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc3cn[nH]c32)CC1 ZINC000490671367 439285668 /nfs/dbraw/zinc/28/56/68/439285668.db2.gz RVRSWTLJLHTZSB-UHFFFAOYSA-N 1 2 339.399 0.460 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc3c[nH]nc32)CC1 ZINC000490671367 439285672 /nfs/dbraw/zinc/28/56/72/439285672.db2.gz RVRSWTLJLHTZSB-UHFFFAOYSA-N 1 2 339.399 0.460 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc3c[nH]nc32)CC1 ZINC000490671367 439285680 /nfs/dbraw/zinc/28/56/80/439285680.db2.gz RVRSWTLJLHTZSB-UHFFFAOYSA-N 1 2 339.399 0.460 20 30 ECEDLO N#CC[C@]1(O)CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000592845730 439290249 /nfs/dbraw/zinc/29/02/49/439290249.db2.gz QNKAFJACYLQWAX-KRWDZBQOSA-N 1 2 329.404 0.081 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)CC1 ZINC000490762651 439296719 /nfs/dbraw/zinc/29/67/19/439296719.db2.gz IYKGLZLXHUXAOX-UHFFFAOYSA-N 1 2 344.346 0.420 20 30 ECEDLO C#CCN(C(=O)C[N@@H+](C)[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 ZINC000490891429 439308096 /nfs/dbraw/zinc/30/80/96/439308096.db2.gz FTDBAXFLGIEQPM-QWHCGFSZSA-N 1 2 330.475 0.073 20 30 ECEDLO C#CCN(C(=O)C[N@H+](C)[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 ZINC000490891429 439308098 /nfs/dbraw/zinc/30/80/98/439308098.db2.gz FTDBAXFLGIEQPM-QWHCGFSZSA-N 1 2 330.475 0.073 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ncc(C)s2)CC1 ZINC000490877947 439308124 /nfs/dbraw/zinc/30/81/24/439308124.db2.gz ZZQOSFFMORTNHS-UHFFFAOYSA-N 1 2 334.445 0.278 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ncc(C)s2)CC1 ZINC000490877947 439308127 /nfs/dbraw/zinc/30/81/27/439308127.db2.gz ZZQOSFFMORTNHS-UHFFFAOYSA-N 1 2 334.445 0.278 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000582249916 439309715 /nfs/dbraw/zinc/30/97/15/439309715.db2.gz CTLSSEPPYBREDC-STQMWFEESA-N 1 2 339.403 0.987 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000582249916 439309720 /nfs/dbraw/zinc/30/97/20/439309720.db2.gz CTLSSEPPYBREDC-STQMWFEESA-N 1 2 339.403 0.987 20 30 ECEDLO C[C@@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@H](CO)O1 ZINC000528477232 439338561 /nfs/dbraw/zinc/33/85/61/439338561.db2.gz WCNJTSBVWBFNIG-ZIAGYGMSSA-N 1 2 328.368 0.368 20 30 ECEDLO C[C@@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@H](CO)O1 ZINC000528477232 439338564 /nfs/dbraw/zinc/33/85/64/439338564.db2.gz WCNJTSBVWBFNIG-ZIAGYGMSSA-N 1 2 328.368 0.368 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](Cc2nc3ccccc3c(=O)n2C)CC1 ZINC000491203192 439348366 /nfs/dbraw/zinc/34/83/66/439348366.db2.gz TZXVSTIQMVJHOX-UHFFFAOYSA-N 1 2 338.411 0.895 20 30 ECEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000582561498 439352864 /nfs/dbraw/zinc/35/28/64/439352864.db2.gz QAOXAANYGPHKFC-LSDHHAIUSA-N 1 2 334.420 0.877 20 30 ECEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000599194073 439376629 /nfs/dbraw/zinc/37/66/29/439376629.db2.gz ORJQESLGZPKWTM-LSDHHAIUSA-N 1 2 345.403 0.447 20 30 ECEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000599194073 439376632 /nfs/dbraw/zinc/37/66/32/439376632.db2.gz ORJQESLGZPKWTM-LSDHHAIUSA-N 1 2 345.403 0.447 20 30 ECEDLO C#CC[N@@H+](CC(=O)c1c(N)n(CC)c(=O)[nH]c1=O)Cc1ccccc1 ZINC000491405025 439378671 /nfs/dbraw/zinc/37/86/71/439378671.db2.gz GLIKNMOZYILXDV-UHFFFAOYSA-N 1 2 340.383 0.869 20 30 ECEDLO C#CC[N@H+](CC(=O)c1c(N)n(CC)c(=O)[nH]c1=O)Cc1ccccc1 ZINC000491405025 439378674 /nfs/dbraw/zinc/37/86/74/439378674.db2.gz GLIKNMOZYILXDV-UHFFFAOYSA-N 1 2 340.383 0.869 20 30 ECEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2ncncc2C#N)CC1 ZINC000583049679 439414222 /nfs/dbraw/zinc/41/42/22/439414222.db2.gz BRYFEAWVCSPILH-AWEZNQCLSA-N 1 2 328.420 0.871 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN[C@](C)(c2noc(C)n2)C2CC2)CC1 ZINC000491675271 439424302 /nfs/dbraw/zinc/42/43/02/439424302.db2.gz ZAMLDWXVHAOFLG-KRWDZBQOSA-N 1 2 331.420 0.370 20 30 ECEDLO C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2c[nH+]ccc2OC)CC1 ZINC000491683548 439427365 /nfs/dbraw/zinc/42/73/65/439427365.db2.gz ZQHRCFLXKPJFOJ-UHFFFAOYSA-N 1 2 344.371 0.017 20 30 ECEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C(=O)N(CCc2ccc(OC)cc2)C1=O ZINC000491708817 439433402 /nfs/dbraw/zinc/43/34/02/439433402.db2.gz IGBUZJHSOGVHLD-ZDUSSCGKSA-N 1 2 343.383 0.940 20 30 ECEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C(=O)N(CCc2ccc(OC)cc2)C1=O ZINC000491708817 439433405 /nfs/dbraw/zinc/43/34/05/439433405.db2.gz IGBUZJHSOGVHLD-ZDUSSCGKSA-N 1 2 343.383 0.940 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN[C@H](C)c2noc(COC(C)C)n2)CC1 ZINC000491764876 439443829 /nfs/dbraw/zinc/44/38/29/439443829.db2.gz CCKVOZUIRNHIMR-CQSZACIVSA-N 1 2 349.435 0.423 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2nncn2-c2ccccc2)CC1 ZINC000491778671 439448853 /nfs/dbraw/zinc/44/88/53/439448853.db2.gz YNKVSPRRBGKICR-UHFFFAOYSA-N 1 2 338.415 0.134 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN([C@@H](C(=O)OC)c2ccccc2C)CC1 ZINC000491788307 439451414 /nfs/dbraw/zinc/45/14/14/439451414.db2.gz XNRKJHXUNNUPMC-GOSISDBHSA-N 1 2 343.427 0.576 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(CC3CC3)n2C2CC2)CC1 ZINC000570977073 439466636 /nfs/dbraw/zinc/46/66/36/439466636.db2.gz OOJPFEMCQCEHDY-UHFFFAOYSA-N 1 2 344.463 0.990 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)/C=C\c2cccc(C#N)c2)CC1 ZINC000491943275 439476061 /nfs/dbraw/zinc/47/60/61/439476061.db2.gz YZIOQICWCCOESB-SREVYHEPSA-N 1 2 326.400 0.980 20 30 ECEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000530671685 439502034 /nfs/dbraw/zinc/50/20/34/439502034.db2.gz FHZNPYZTXBPOMW-AWEZNQCLSA-N 1 2 340.427 0.912 20 30 ECEDLO C=CC[N@@H+](C[C@H](O)COC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000533388267 439525564 /nfs/dbraw/zinc/52/55/64/439525564.db2.gz PSYKEPPOPDFEFE-SOUVJXGZSA-N 1 2 333.450 0.218 20 30 ECEDLO C=CC[N@H+](C[C@H](O)COC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000533388267 439525566 /nfs/dbraw/zinc/52/55/66/439525566.db2.gz PSYKEPPOPDFEFE-SOUVJXGZSA-N 1 2 333.450 0.218 20 30 ECEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000599774145 439556133 /nfs/dbraw/zinc/55/61/33/439556133.db2.gz QINHSOFFYWYDKE-AWEZNQCLSA-N 1 2 341.375 0.591 20 30 ECEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000599774145 439556138 /nfs/dbraw/zinc/55/61/38/439556138.db2.gz QINHSOFFYWYDKE-AWEZNQCLSA-N 1 2 341.375 0.591 20 30 ECEDLO CN(CCCc1[nH]nc(N)c1C#N)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000543013168 439560880 /nfs/dbraw/zinc/56/08/80/439560880.db2.gz YOMLYMDBZMMXJU-UHFFFAOYSA-N 1 2 346.435 0.509 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CC(=O)OC)C1CCOCC1 ZINC000531588451 439511200 /nfs/dbraw/zinc/51/12/00/439511200.db2.gz XLWSTCKWBBYCJU-ZDUSSCGKSA-N 1 2 325.409 0.649 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CC(=O)OC)C1CCOCC1 ZINC000531588451 439511202 /nfs/dbraw/zinc/51/12/02/439511202.db2.gz XLWSTCKWBBYCJU-ZDUSSCGKSA-N 1 2 325.409 0.649 20 30 ECEDLO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000599583373 439511713 /nfs/dbraw/zinc/51/17/13/439511713.db2.gz UVIAYSQCOYEDLF-FRRDWIJNSA-N 1 2 326.393 0.714 20 30 ECEDLO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000599583373 439511720 /nfs/dbraw/zinc/51/17/20/439511720.db2.gz UVIAYSQCOYEDLF-FRRDWIJNSA-N 1 2 326.393 0.714 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000492261554 439514919 /nfs/dbraw/zinc/51/49/19/439514919.db2.gz WPOGPTFHYOTRGY-CQSZACIVSA-N 1 2 340.468 0.819 20 30 ECEDLO N#CC1(CS(=O)(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000547331485 439574084 /nfs/dbraw/zinc/57/40/84/439574084.db2.gz TURCJYKWOJEFLW-UONOGXRCSA-N 1 2 327.450 0.853 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)CCN1CCCS1(=O)=O ZINC000610604432 439630478 /nfs/dbraw/zinc/63/04/78/439630478.db2.gz RTGYTXXRXZKHCG-CQSZACIVSA-N 1 2 330.454 0.008 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)CCN1CCCS1(=O)=O ZINC000610604432 439630482 /nfs/dbraw/zinc/63/04/82/439630482.db2.gz RTGYTXXRXZKHCG-CQSZACIVSA-N 1 2 330.454 0.008 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000585719162 439645160 /nfs/dbraw/zinc/64/51/60/439645160.db2.gz SWJONFSKXDHOIT-LBPRGKRZSA-N 1 2 348.378 0.150 20 30 ECEDLO CC[C@H](C)NC(=O)Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000573904236 439672300 /nfs/dbraw/zinc/67/23/00/439672300.db2.gz VCQVQXVLNGKBGX-ZDUSSCGKSA-N 1 2 332.404 0.467 20 30 ECEDLO Cc1nc(NC(=O)C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)ccc1C#N ZINC000595125711 439657758 /nfs/dbraw/zinc/65/77/58/439657758.db2.gz KQWYQFHNQHQFSZ-NWDGAFQWSA-N 1 2 345.403 0.426 20 30 ECEDLO Cc1nc(NC(=O)C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)ccc1C#N ZINC000595125711 439657761 /nfs/dbraw/zinc/65/77/61/439657761.db2.gz KQWYQFHNQHQFSZ-NWDGAFQWSA-N 1 2 345.403 0.426 20 30 ECEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000595126794 439658556 /nfs/dbraw/zinc/65/85/56/439658556.db2.gz VFISRPHFLQYUGA-NEPJUHHUSA-N 1 2 348.378 0.861 20 30 ECEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000595126794 439658560 /nfs/dbraw/zinc/65/85/60/439658560.db2.gz VFISRPHFLQYUGA-NEPJUHHUSA-N 1 2 348.378 0.861 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2CCN(CC[NH+]3CCOCC3)C2)s1 ZINC000610521812 439623663 /nfs/dbraw/zinc/62/36/63/439623663.db2.gz BHNKPVUXJWFJNV-CYBMUJFWSA-N 1 2 334.445 0.756 20 30 ECEDLO C=CCOCCCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000612414670 439702391 /nfs/dbraw/zinc/70/23/91/439702391.db2.gz OLEMCQIQADHMBF-HNNXBMFYSA-N 1 2 339.436 0.019 20 30 ECEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)cc1 ZINC000574418302 439705015 /nfs/dbraw/zinc/70/50/15/439705015.db2.gz SVIIWKIGXUGTRC-MRXNPFEDSA-N 1 2 340.387 0.918 20 30 ECEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)cc1 ZINC000574418302 439705017 /nfs/dbraw/zinc/70/50/17/439705017.db2.gz SVIIWKIGXUGTRC-MRXNPFEDSA-N 1 2 340.387 0.918 20 30 ECEDLO Cc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1NS(C)(=O)=O ZINC000574151536 439687769 /nfs/dbraw/zinc/68/77/69/439687769.db2.gz UJHDMXQSJFHHRB-AWEZNQCLSA-N 1 2 340.449 0.985 20 30 ECEDLO Cc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1NS(C)(=O)=O ZINC000574151536 439687773 /nfs/dbraw/zinc/68/77/73/439687773.db2.gz UJHDMXQSJFHHRB-AWEZNQCLSA-N 1 2 340.449 0.985 20 30 ECEDLO CC1(C)CN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC[N@@H+]1CCO ZINC000614854182 439788877 /nfs/dbraw/zinc/78/88/77/439788877.db2.gz WXDMIBXCTWGAJM-UHFFFAOYSA-N 1 2 341.408 0.775 20 30 ECEDLO CC1(C)CN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC[N@H+]1CCO ZINC000614854182 439788878 /nfs/dbraw/zinc/78/88/78/439788878.db2.gz WXDMIBXCTWGAJM-UHFFFAOYSA-N 1 2 341.408 0.775 20 30 ECEDLO C=CCCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000658386096 439913884 /nfs/dbraw/zinc/91/38/84/439913884.db2.gz CAEORVUHXOQXSQ-UHFFFAOYSA-N 1 2 344.415 0.705 20 30 ECEDLO C=CC(C)(C)CCNC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000636673534 439989532 /nfs/dbraw/zinc/98/95/32/439989532.db2.gz UUPWGKVVCIAXCX-UONOGXRCSA-N 1 2 325.453 0.930 20 30 ECEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000644844498 440701144 /nfs/dbraw/zinc/70/11/44/440701144.db2.gz ZSRRMCIIJXVPFR-UKRRQHHQSA-N 1 2 332.404 0.631 20 30 ECEDLO CC#CC[C@H](CO)NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000645142718 440752190 /nfs/dbraw/zinc/75/21/90/440752190.db2.gz KOCVKWCYRGMXEY-OAHLLOKOSA-N 1 2 332.404 0.492 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2nnc(C)n2C)CC1 ZINC000639974297 440844893 /nfs/dbraw/zinc/84/48/93/440844893.db2.gz KHUJJRSVAFALIX-CQSZACIVSA-N 1 2 332.452 0.835 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)NCc2ccc(COC)cc2)nn1 ZINC000640968271 441034555 /nfs/dbraw/zinc/03/45/55/441034555.db2.gz RQHQUTPEEWNIBF-UHFFFAOYSA-N 1 2 341.415 0.854 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2CCCN(S(C)(=O)=O)C2)nn1 ZINC000641151050 441063561 /nfs/dbraw/zinc/06/35/61/441063561.db2.gz QTFRYVGGRDZSEO-ZDUSSCGKSA-N 1 2 325.438 0.063 20 30 ECEDLO N#Cc1ccc(-c2nc(CC(=O)NCC[NH+]3CCOCC3)no2)o1 ZINC000350527634 321323663 /nfs/dbraw/zinc/32/36/63/321323663.db2.gz OWBIIRBEJPKHHV-UHFFFAOYSA-N 1 2 331.332 0.192 20 30 ECEDLO Cc1cc(C#N)cc(NC(=O)C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000564291560 322368299 /nfs/dbraw/zinc/36/82/99/322368299.db2.gz YJCIDRRVHVTKBN-ZDUSSCGKSA-N 1 2 330.388 0.642 20 30 ECEDLO Cc1cc(C#N)cc(NC(=O)C(=O)NCC[N@H+]2CCO[C@@H](C)C2)c1 ZINC000564291560 322368301 /nfs/dbraw/zinc/36/83/01/322368301.db2.gz YJCIDRRVHVTKBN-ZDUSSCGKSA-N 1 2 330.388 0.642 20 30 ECEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ncc(C#N)cn2)CC1 ZINC000568372573 322625449 /nfs/dbraw/zinc/62/54/49/322625449.db2.gz SUUTUHRAQWBRKL-HNNXBMFYSA-N 1 2 342.447 0.867 20 30 ECEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000576293944 322804912 /nfs/dbraw/zinc/80/49/12/322804912.db2.gz VGIDZQJYFKKZLA-ZBFHGGJFSA-N 1 2 343.431 0.759 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2cc(C#N)ncn2)CC1 ZINC000578829358 322876396 /nfs/dbraw/zinc/87/63/96/322876396.db2.gz AERONEHUZSEPFT-ZDUSSCGKSA-N 1 2 332.408 0.011 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000164434262 526536718 /nfs/dbraw/zinc/53/67/18/526536718.db2.gz CMPIIGZQSOGPCA-UHFFFAOYSA-N 1 2 333.432 0.994 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000174666851 526609054 /nfs/dbraw/zinc/60/90/54/526609054.db2.gz HNWPOSZLTSSYDM-AWEZNQCLSA-N 1 2 346.431 0.910 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000174666851 526609061 /nfs/dbraw/zinc/60/90/61/526609061.db2.gz HNWPOSZLTSSYDM-AWEZNQCLSA-N 1 2 346.431 0.910 20 30 ECEDLO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCN(C(=O)COC)CC1 ZINC000078564603 545694689 /nfs/dbraw/zinc/69/46/89/545694689.db2.gz GLEWPQWPKIFVRB-QGZVFWFLSA-N 1 2 348.443 0.945 20 30 ECEDLO C=C[C@H](C(=O)OC)N1CC[NH+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000619716497 546363596 /nfs/dbraw/zinc/36/35/96/546363596.db2.gz MJJAQFAHNRDCGX-OWCLPIDISA-N 1 2 337.464 0.836 20 30 ECEDLO C=CCn1c(COC)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000669803965 547936422 /nfs/dbraw/zinc/93/64/22/547936422.db2.gz DEDJYRJDKHDWAL-ZDUSSCGKSA-N 1 2 348.451 0.400 20 30 ECEDLO C=CCOCCNC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000679949281 549137792 /nfs/dbraw/zinc/13/77/92/549137792.db2.gz XQAZJAKGTSKDDK-CYBMUJFWSA-N 1 2 335.408 0.413 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3scnc3C)C[C@H]2O)nc1 ZINC001078030330 782175147 /nfs/dbraw/zinc/17/51/47/782175147.db2.gz UAFFXINAJSSXBI-HUUCEWRRSA-N 1 2 342.424 0.803 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3scnc3C)C[C@H]2O)nc1 ZINC001078030330 782175152 /nfs/dbraw/zinc/17/51/52/782175152.db2.gz UAFFXINAJSSXBI-HUUCEWRRSA-N 1 2 342.424 0.803 20 30 ECEDLO C#CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001041774528 782175528 /nfs/dbraw/zinc/17/55/28/782175528.db2.gz WHVUAZCYCNEPOE-WBVHZDCISA-N 1 2 338.473 0.759 20 30 ECEDLO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001041774528 782175532 /nfs/dbraw/zinc/17/55/32/782175532.db2.gz WHVUAZCYCNEPOE-WBVHZDCISA-N 1 2 338.473 0.759 20 30 ECEDLO Cc1cc(C)n(CCC(=O)N(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000749380553 579337553 /nfs/dbraw/zinc/33/75/53/579337553.db2.gz WXBRDMVTHZDNMU-UHFFFAOYSA-N 1 2 333.436 0.965 20 30 ECEDLO C#CCOc1cccc(NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000751546772 579371061 /nfs/dbraw/zinc/37/10/61/579371061.db2.gz GQHYBPFHPZLENG-INIZCTEOSA-N 1 2 347.415 0.855 20 30 ECEDLO COC(=O)c1cccc(CO[NH+]=C(N)CN2CCOCC2)c1C#N ZINC000755813465 579439425 /nfs/dbraw/zinc/43/94/25/579439425.db2.gz DLMZVGVJDNZFJL-UHFFFAOYSA-N 1 2 332.360 0.676 20 30 ECEDLO Nc1nc(Cl)c(C=[NH+]NC2CCOCC2)c(N2CCOCC2)n1 ZINC000757593158 579462439 /nfs/dbraw/zinc/46/24/39/579462439.db2.gz PLPCSLKISPFTFW-UHFFFAOYSA-N 1 2 340.815 0.651 20 30 ECEDLO C[N@H+](CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCNC1=O ZINC000758405743 579472640 /nfs/dbraw/zinc/47/26/40/579472640.db2.gz BVENCADIFCMQIP-AWEZNQCLSA-N 1 2 341.371 0.100 20 30 ECEDLO C[N@@H+](CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCNC1=O ZINC000758405743 579472641 /nfs/dbraw/zinc/47/26/41/579472641.db2.gz BVENCADIFCMQIP-AWEZNQCLSA-N 1 2 341.371 0.100 20 30 ECEDLO COC(=O)c1cn(C2C[NH+](C[C@H](O)c3ccc(C#N)cc3)C2)nn1 ZINC000759069357 579485747 /nfs/dbraw/zinc/48/57/47/579485747.db2.gz IRBLODBKCCEXDV-HNNXBMFYSA-N 1 2 327.344 0.527 20 30 ECEDLO C=C(C)CNC(=S)N1CC[NH+]([C@H](C)C(=O)NCCCOC)CC1 ZINC000728796393 578291131 /nfs/dbraw/zinc/29/11/31/578291131.db2.gz YTXCRTLVIZNFKN-CQSZACIVSA-N 1 2 342.509 0.596 20 30 ECEDLO C#CCN(C(=O)c1ccnc(-n2cc[nH+]c2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000729334806 578295252 /nfs/dbraw/zinc/29/52/52/578295252.db2.gz VOOWZBGLOJDHNM-AWEZNQCLSA-N 1 2 344.396 0.530 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CSCN2C(=O)C2CCCC2)CC1 ZINC000730292322 578304774 /nfs/dbraw/zinc/30/47/74/578304774.db2.gz ABFAWHQOTUZJFZ-OAHLLOKOSA-N 1 2 335.473 0.856 20 30 ECEDLO C#CCNC(=O)COC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000731248455 578311950 /nfs/dbraw/zinc/31/19/50/578311950.db2.gz OFOVYXDFVCYJMI-KRWDZBQOSA-N 1 2 330.384 0.477 20 30 ECEDLO C#CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000735374534 578382857 /nfs/dbraw/zinc/38/28/57/578382857.db2.gz JWFWPVUXTRCROG-CQSZACIVSA-N 1 2 331.401 0.489 20 30 ECEDLO C#CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000735374534 578382858 /nfs/dbraw/zinc/38/28/58/578382858.db2.gz JWFWPVUXTRCROG-CQSZACIVSA-N 1 2 331.401 0.489 20 30 ECEDLO C=CCN1CCC([NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)CC1 ZINC000735426953 578383930 /nfs/dbraw/zinc/38/39/30/578383930.db2.gz ZMNQQSWQWILYBA-UHFFFAOYSA-N 1 2 339.407 0.649 20 30 ECEDLO Cn1c(CC#N)nn(C[NH+]2CCC(Cn3ccnn3)CC2)c1=S ZINC000794636954 578596561 /nfs/dbraw/zinc/59/65/61/578596561.db2.gz RHDZBJQRHYLTIC-UHFFFAOYSA-N 1 2 332.437 0.978 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@@H](C(F)(F)F)OC[C@@H]2C)CC1 ZINC000796307453 578624292 /nfs/dbraw/zinc/62/42/92/578624292.db2.gz KTLUQRNGSXQOBP-STQMWFEESA-N 1 2 333.354 0.415 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(S(=O)(=O)N(C)C)o2)C1=O ZINC000799176352 578660620 /nfs/dbraw/zinc/66/06/20/578660620.db2.gz OOPNJIJDDXLFOF-CYBMUJFWSA-N 1 2 341.433 0.749 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(S(=O)(=O)N(C)C)o2)C1=O ZINC000799176352 578660621 /nfs/dbraw/zinc/66/06/21/578660621.db2.gz OOPNJIJDDXLFOF-CYBMUJFWSA-N 1 2 341.433 0.749 20 30 ECEDLO COc1cc(C=NNCCC[NH+]2CCOCC2)cc([N+](=O)[O-])c1O ZINC000799489784 578666226 /nfs/dbraw/zinc/66/62/26/578666226.db2.gz BZNFYWJFUHUBKI-UHFFFAOYSA-N 1 2 338.364 0.955 20 30 ECEDLO COc1c(C)c[nH+]c(CNS(=O)(=O)N2CCO[C@H](C#N)C2)c1C ZINC000800037603 578673042 /nfs/dbraw/zinc/67/30/42/578673042.db2.gz WEBSILFQZJYEHK-GFCCVEGCSA-N 1 2 340.405 0.266 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000782277702 578722917 /nfs/dbraw/zinc/72/29/17/578722917.db2.gz ZKFSDMZUJXTBMS-SUQMRRJOSA-N 1 2 337.376 0.167 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000783347555 578741486 /nfs/dbraw/zinc/74/14/86/578741486.db2.gz PFGAEEVXABDGNT-UHFFFAOYSA-N 1 2 325.390 0.354 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000784223669 578749859 /nfs/dbraw/zinc/74/98/59/578749859.db2.gz ROPNXYDPUYVKDR-UHFFFAOYSA-N 1 2 332.429 0.338 20 30 ECEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000784340885 578750809 /nfs/dbraw/zinc/75/08/09/578750809.db2.gz GHAYRJMMLVGSIB-JTQLQIEISA-N 1 2 332.326 0.644 20 30 ECEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000784340885 578750810 /nfs/dbraw/zinc/75/08/10/578750810.db2.gz GHAYRJMMLVGSIB-JTQLQIEISA-N 1 2 332.326 0.644 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cccc(F)c2C#N)[C@@H](C)C1 ZINC000784708445 578755649 /nfs/dbraw/zinc/75/56/49/578755649.db2.gz FESJABYQGHTDIB-RYUDHWBXSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2cccc(F)c2C#N)[C@@H](C)C1 ZINC000784708445 578755651 /nfs/dbraw/zinc/75/56/51/578755651.db2.gz FESJABYQGHTDIB-RYUDHWBXSA-N 1 2 341.408 0.773 20 30 ECEDLO C=CCN(C(=O)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)C(C)C ZINC000787191724 578801665 /nfs/dbraw/zinc/80/16/65/578801665.db2.gz RTSDFDLDVLGVFC-UHFFFAOYSA-N 1 2 346.431 0.957 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)NCCCNc1cccc[nH+]1)[C@H]1CCCO1 ZINC000788638942 578841548 /nfs/dbraw/zinc/84/15/48/578841548.db2.gz KIVLQUYHIFIKKJ-UONOGXRCSA-N 1 2 330.388 0.297 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1)[C@H]1CCCO1 ZINC000793744163 578938427 /nfs/dbraw/zinc/93/84/27/578938427.db2.gz OKDAQHZFQHZSAH-HUUCEWRRSA-N 1 2 340.383 0.556 20 30 ECEDLO C[N@H+](CC(=O)OCC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CCSC1 ZINC000772050782 579199531 /nfs/dbraw/zinc/19/95/31/579199531.db2.gz YGVJPEMFFRMWCX-WFASDCNBSA-N 1 2 325.434 0.775 20 30 ECEDLO C[N@@H+](CC(=O)OCC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CCSC1 ZINC000772050782 579199532 /nfs/dbraw/zinc/19/95/32/579199532.db2.gz YGVJPEMFFRMWCX-WFASDCNBSA-N 1 2 325.434 0.775 20 30 ECEDLO C#C[C@H](NC(=O)N1CCN(Cc2[nH+]ccn2C)CC1)[C@H]1CCCO1 ZINC000776227755 579278140 /nfs/dbraw/zinc/27/81/40/579278140.db2.gz LODPXJLQVZNRFZ-LSDHHAIUSA-N 1 2 331.420 0.428 20 30 ECEDLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC[N@@H+]1CCO ZINC000778942223 579312639 /nfs/dbraw/zinc/31/26/39/579312639.db2.gz SEVLZFXRDONVJR-ZDUSSCGKSA-N 1 2 346.387 0.052 20 30 ECEDLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC[N@H+]1CCO ZINC000778942223 579312640 /nfs/dbraw/zinc/31/26/40/579312640.db2.gz SEVLZFXRDONVJR-ZDUSSCGKSA-N 1 2 346.387 0.052 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC000761029974 579519730 /nfs/dbraw/zinc/51/97/30/579519730.db2.gz AXAOVGRJELSQME-CYBMUJFWSA-N 1 2 325.409 0.972 20 30 ECEDLO Cn1cnc2cc(C=NNC(=S)NCC[NH+]3CCOCC3)ccc21 ZINC000761251615 579525543 /nfs/dbraw/zinc/52/55/43/579525543.db2.gz HCYMHQNPGYODCQ-UHFFFAOYSA-N 1 2 346.460 0.704 20 30 ECEDLO NC(=O)COc1ccc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)cc1 ZINC000761830484 579532323 /nfs/dbraw/zinc/53/23/23/579532323.db2.gz IEGHMMWDBLJMEE-UHFFFAOYSA-N 1 2 337.343 0.972 20 30 ECEDLO CCOc1cccc(C=NNC(=S)NCC[NH+]2CCOCC2)n1 ZINC000763126988 579555864 /nfs/dbraw/zinc/55/58/64/579555864.db2.gz TZKRDFVOHRBTIT-UHFFFAOYSA-N 1 2 337.449 0.611 20 30 ECEDLO C=C(Cl)CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000746410533 579838497 /nfs/dbraw/zinc/83/84/97/579838497.db2.gz ANJQPVMCFWGZFO-UHFFFAOYSA-N 1 2 341.799 0.023 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000747839454 579855091 /nfs/dbraw/zinc/85/50/91/579855091.db2.gz AZRKSAHICJVLBS-CYBMUJFWSA-N 1 2 335.408 0.034 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000747839454 579855092 /nfs/dbraw/zinc/85/50/92/579855092.db2.gz AZRKSAHICJVLBS-CYBMUJFWSA-N 1 2 335.408 0.034 20 30 ECEDLO N#CC1(COC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCC1 ZINC000837681744 588958446 /nfs/dbraw/zinc/95/84/46/588958446.db2.gz IANAKCALWVLYFE-AWEZNQCLSA-N 1 2 335.404 0.404 20 30 ECEDLO CN(C)C(=O)COc1ccccc1C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000895066715 586159923 /nfs/dbraw/zinc/15/99/23/586159923.db2.gz XBVNCTBPQCKGCL-UHFFFAOYSA-N 1 2 344.415 0.711 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2nc(C(C)(C)C)ns2)C1 ZINC000891606376 586181629 /nfs/dbraw/zinc/18/16/29/586181629.db2.gz LNVUUCCJMFWWGS-LLVKDONJSA-N 1 2 349.460 0.988 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2nc(C(C)(C)C)ns2)C1 ZINC000891606376 586181631 /nfs/dbraw/zinc/18/16/31/586181631.db2.gz LNVUUCCJMFWWGS-LLVKDONJSA-N 1 2 349.460 0.988 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2OC)C1 ZINC000891606547 586181883 /nfs/dbraw/zinc/18/18/83/586181883.db2.gz GTNADKLGGBPQKZ-CYBMUJFWSA-N 1 2 333.363 0.987 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2OC)C1 ZINC000891606547 586181886 /nfs/dbraw/zinc/18/18/86/586181886.db2.gz GTNADKLGGBPQKZ-CYBMUJFWSA-N 1 2 333.363 0.987 20 30 ECEDLO Cn1c(NCc2nc(C[NH+](C)C)cs2)c(C#N)c(=O)n(C)c1=O ZINC000895480834 586184594 /nfs/dbraw/zinc/18/45/94/586184594.db2.gz NASRXEYCSGNJJH-UHFFFAOYSA-N 1 2 334.405 0.086 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2nccc3c2CCCC3)CC1 ZINC000895918678 586212633 /nfs/dbraw/zinc/21/26/33/586212633.db2.gz ODQAQTNPZZHKCR-UHFFFAOYSA-N 1 2 348.472 0.546 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2nccc3ccccc32)CC1 ZINC000895915922 586212875 /nfs/dbraw/zinc/21/28/75/586212875.db2.gz PDMSHOWZZBBBDR-UHFFFAOYSA-N 1 2 344.440 0.820 20 30 ECEDLO C=CCCn1cc(C(=O)O[C@@H](COC)C[N@@H+]2CCO[C@@H](C)C2)nn1 ZINC000842966428 589043536 /nfs/dbraw/zinc/04/35/36/589043536.db2.gz IQRGSPRXHIICRK-UONOGXRCSA-N 1 2 338.408 0.747 20 30 ECEDLO C=CCCn1cc(C(=O)O[C@@H](COC)C[N@H+]2CCO[C@@H](C)C2)nn1 ZINC000842966428 589043538 /nfs/dbraw/zinc/04/35/38/589043538.db2.gz IQRGSPRXHIICRK-UONOGXRCSA-N 1 2 338.408 0.747 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)O[C@@H]1C[N@H+](C)[C@@](C)(C(=O)OC)C1 ZINC000893575042 586341168 /nfs/dbraw/zinc/34/11/68/586341168.db2.gz MFCWUIPCYSPLKK-HEHGZKQESA-N 1 2 326.393 0.636 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)O[C@@H]1C[N@@H+](C)[C@@](C)(C(=O)OC)C1 ZINC000893575042 586341171 /nfs/dbraw/zinc/34/11/71/586341171.db2.gz MFCWUIPCYSPLKK-HEHGZKQESA-N 1 2 326.393 0.636 20 30 ECEDLO N#CCc1ccc(OC[C@@H](O)C[NH+]2CC(N3CCCC3=O)C2)cc1 ZINC000899911381 586512576 /nfs/dbraw/zinc/51/25/76/586512576.db2.gz TUTWKPIUVBJQPO-INIZCTEOSA-N 1 2 329.400 0.799 20 30 ECEDLO COCC[C@H]1CCN(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)C1=O ZINC000902358294 586735627 /nfs/dbraw/zinc/73/56/27/586735627.db2.gz ADDZNBIXVYTJLS-OAHLLOKOSA-N 1 2 343.431 0.918 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cnc3c(F)cccc3c2=O)CC1 ZINC000902679661 586753502 /nfs/dbraw/zinc/75/35/02/586753502.db2.gz GEDPAMQKPGNMGW-UHFFFAOYSA-N 1 2 328.347 0.313 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCN2C(=O)N[C@H](C)C2=O)c1 ZINC000838793645 586821503 /nfs/dbraw/zinc/82/15/03/586821503.db2.gz CEXFFLKLKABUTC-GFCCVEGCSA-N 1 2 328.372 0.479 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCN2C(=O)N[C@H](C)C2=O)c1 ZINC000838793645 586821504 /nfs/dbraw/zinc/82/15/04/586821504.db2.gz CEXFFLKLKABUTC-GFCCVEGCSA-N 1 2 328.372 0.479 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](CCOCC2CCCC2)CC1 ZINC000838903939 586828771 /nfs/dbraw/zinc/82/87/71/586828771.db2.gz GSRKRIQXPYXLQR-UHFFFAOYSA-N 1 2 329.466 0.278 20 30 ECEDLO N#Cc1cccn(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1=O ZINC000758186872 586896239 /nfs/dbraw/zinc/89/62/39/586896239.db2.gz PVDIAKJGCNNUGQ-OAHLLOKOSA-N 1 2 330.388 0.248 20 30 ECEDLO N#Cc1cccn(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1=O ZINC000758186872 586896240 /nfs/dbraw/zinc/89/62/40/586896240.db2.gz PVDIAKJGCNNUGQ-OAHLLOKOSA-N 1 2 330.388 0.248 20 30 ECEDLO C[C@@H](OC(=O)c1ccc(C#N)s1)C(=O)NCC[NH+]1CCOCC1 ZINC000805973686 586950519 /nfs/dbraw/zinc/95/05/19/586950519.db2.gz NINXDQNVLSOYQW-LLVKDONJSA-N 1 2 337.401 0.613 20 30 ECEDLO CC(C)OCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000907014024 587006653 /nfs/dbraw/zinc/00/66/53/587006653.db2.gz IDTIGEXUDDYYAC-UHFFFAOYSA-N 1 2 338.433 0.685 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)NCc1[nH+]ccn1CC(C)C)[C@H]1CCCO1 ZINC000807388458 587126126 /nfs/dbraw/zinc/12/61/26/587126126.db2.gz XSLWMCBKUQJHLK-UONOGXRCSA-N 1 2 332.404 0.452 20 30 ECEDLO COc1ccc([NH+]2CCC(NC(=O)NCC(=O)NCC#N)CC2)cc1 ZINC000807555216 587131376 /nfs/dbraw/zinc/13/13/76/587131376.db2.gz WXTPGNIEPSTLPO-UHFFFAOYSA-N 1 2 345.403 0.603 20 30 ECEDLO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1nnnn1C1CC1 ZINC000808753344 587161032 /nfs/dbraw/zinc/16/10/32/587161032.db2.gz XOFBMEZFDPKWNG-SNVBAGLBSA-N 1 2 347.404 0.399 20 30 ECEDLO Cn1ncc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000809995327 587187897 /nfs/dbraw/zinc/18/78/97/587187897.db2.gz PBGSUNMYZBSDEI-UHFFFAOYSA-N 1 2 330.392 0.484 20 30 ECEDLO Cn1nncc1CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000809995198 587187938 /nfs/dbraw/zinc/18/79/38/587187938.db2.gz NPHBWOSVIJRBSD-UHFFFAOYSA-N 1 2 330.392 0.484 20 30 ECEDLO COc1c(O)cccc1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000812388559 587236715 /nfs/dbraw/zinc/23/67/15/587236715.db2.gz FMOKCLOJOMYVGX-UHFFFAOYSA-N 1 2 338.433 0.531 20 30 ECEDLO CN(C)c1cc(C#N)cc(C(=O)N2CC[NH+](CC[S@@](C)=O)CC2)c1 ZINC000815679164 587295469 /nfs/dbraw/zinc/29/54/69/587295469.db2.gz AHWIYDNGTWXDDD-XMMPIXPASA-N 1 2 348.472 0.761 20 30 ECEDLO CON(C)C(=O)CC[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000819230930 587473095 /nfs/dbraw/zinc/47/30/95/587473095.db2.gz ZTXOXCZRASBCJN-VXGBXAGGSA-N 1 2 326.397 0.745 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000823849902 587746123 /nfs/dbraw/zinc/74/61/23/587746123.db2.gz BZWLKDCKSWPEPG-UHFFFAOYSA-N 1 2 344.350 0.162 20 30 ECEDLO N#CC[C@]1(O)CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000825660597 587954993 /nfs/dbraw/zinc/95/49/93/587954993.db2.gz SSNDZRBTONCYAC-INIZCTEOSA-N 1 2 326.360 0.827 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C(/C)c2ccco2)CC1 ZINC000826553464 588070077 /nfs/dbraw/zinc/07/00/77/588070077.db2.gz BUNYERLNUKIBHW-SQFISAMPSA-N 1 2 329.400 0.967 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C(/C)c2ccco2)CC1 ZINC000826553464 588070079 /nfs/dbraw/zinc/07/00/79/588070079.db2.gz BUNYERLNUKIBHW-SQFISAMPSA-N 1 2 329.400 0.967 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000846200537 589191235 /nfs/dbraw/zinc/19/12/35/589191235.db2.gz HDKYBJCOENXOJG-HOTGVXAUSA-N 1 2 330.432 0.838 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000846200537 589191236 /nfs/dbraw/zinc/19/12/36/589191236.db2.gz HDKYBJCOENXOJG-HOTGVXAUSA-N 1 2 330.432 0.838 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2c(C)nsc2C)CC1 ZINC000846836427 589226390 /nfs/dbraw/zinc/22/63/90/589226390.db2.gz FMVUISZCTBKYMT-UHFFFAOYSA-N 1 2 328.463 0.345 20 30 ECEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000847439687 589247215 /nfs/dbraw/zinc/24/72/15/589247215.db2.gz WZUNAOOJTHDENM-AWEZNQCLSA-N 1 2 328.416 0.756 20 30 ECEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000847439687 589247216 /nfs/dbraw/zinc/24/72/16/589247216.db2.gz WZUNAOOJTHDENM-AWEZNQCLSA-N 1 2 328.416 0.756 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1)[C@H]1CCCO1 ZINC000850415457 589366407 /nfs/dbraw/zinc/36/64/07/589366407.db2.gz ISPHAUDJEYAOGH-ZIAGYGMSSA-N 1 2 326.356 0.878 20 30 ECEDLO C#Cc1cccc(NC(=O)C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000850595706 589370644 /nfs/dbraw/zinc/37/06/44/589370644.db2.gz ZZSRRGSGZNMPGE-KBPBESRZSA-N 1 2 329.400 0.832 20 30 ECEDLO C#Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000850595706 589370647 /nfs/dbraw/zinc/37/06/47/589370647.db2.gz ZZSRRGSGZNMPGE-KBPBESRZSA-N 1 2 329.400 0.832 20 30 ECEDLO C#CCCN(CCOC)C(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000850711076 589381130 /nfs/dbraw/zinc/38/11/30/589381130.db2.gz AHZFSXYTVFKJIL-CVEARBPZSA-N 1 2 346.431 0.791 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(CC)[C@@H](C)C(=O)OC(C)(C)C)CC1 ZINC000852307356 589490055 /nfs/dbraw/zinc/49/00/55/589490055.db2.gz XKDFGSXINBLEGE-HNNXBMFYSA-N 1 2 337.464 0.816 20 30 ECEDLO C[C@H]1CN(C(=O)C[NH+]2CCN(c3ccsc3C#N)CC2)CCO1 ZINC000852343998 589492050 /nfs/dbraw/zinc/49/20/50/589492050.db2.gz KBWSPOCGDKUIPS-ZDUSSCGKSA-N 1 2 334.445 0.989 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)NCCNc2ncccc2C#N)[C@H](C)CO1 ZINC000853482810 589543704 /nfs/dbraw/zinc/54/37/04/589543704.db2.gz ZIMLSLFAHGVEFQ-ZIAGYGMSSA-N 1 2 346.435 0.774 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCCNc2ncccc2C#N)[C@H](C)CO1 ZINC000853482810 589543705 /nfs/dbraw/zinc/54/37/05/589543705.db2.gz ZIMLSLFAHGVEFQ-ZIAGYGMSSA-N 1 2 346.435 0.774 20 30 ECEDLO C#CCC[N@@H+](CCOC)CN1C(=O)N[C@](CC)(c2cnn(C)c2)C1=O ZINC000853620980 589552359 /nfs/dbraw/zinc/55/23/59/589552359.db2.gz LVFKCSWXDZVERA-QGZVFWFLSA-N 1 2 347.419 0.506 20 30 ECEDLO C#CCC[N@H+](CCOC)CN1C(=O)N[C@](CC)(c2cnn(C)c2)C1=O ZINC000853620980 589552361 /nfs/dbraw/zinc/55/23/61/589552361.db2.gz LVFKCSWXDZVERA-QGZVFWFLSA-N 1 2 347.419 0.506 20 30 ECEDLO N#Cc1ccc([C@@H](O)C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000854726488 589602915 /nfs/dbraw/zinc/60/29/15/589602915.db2.gz DQGWVWOCLLHABB-IAGOWNOFSA-N 1 2 329.400 0.915 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n(CC)c3=O)CC1 ZINC000112921104 589617693 /nfs/dbraw/zinc/61/76/93/589617693.db2.gz TZMSLZRBFPWARX-UHFFFAOYSA-N 1 2 340.383 0.101 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000117259613 589751051 /nfs/dbraw/zinc/75/10/51/589751051.db2.gz ZSSNIRPMDJDCNW-UHFFFAOYSA-N 1 2 340.339 0.827 20 30 ECEDLO N#Cc1ccc(O[C@H]2CCN(C(=O)/C=C/C[NH+]3CCOCC3)C2)nc1 ZINC000868513069 589911094 /nfs/dbraw/zinc/91/10/94/589911094.db2.gz AFKADGWHUJBLSW-PYKQWIPUSA-N 1 2 342.399 0.821 20 30 ECEDLO C#Cc1ccccc1CC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000862643525 589953213 /nfs/dbraw/zinc/95/32/13/589953213.db2.gz VRGPQWMHZGNHEZ-FQEVSTJZSA-N 1 2 342.439 0.942 20 30 ECEDLO C#Cc1ccccc1CC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000862643525 589953214 /nfs/dbraw/zinc/95/32/14/589953214.db2.gz VRGPQWMHZGNHEZ-FQEVSTJZSA-N 1 2 342.439 0.942 20 30 ECEDLO N#Cc1ccccc1OCC(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870077901 589998527 /nfs/dbraw/zinc/99/85/27/589998527.db2.gz YEXPREBMUGRWHN-INIZCTEOSA-N 1 2 345.399 0.497 20 30 ECEDLO C=CCN(C(=O)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2)[C@H](C)COC ZINC000873940023 590212930 /nfs/dbraw/zinc/21/29/30/590212930.db2.gz LOBLXVUFRFLVMZ-GFCCVEGCSA-N 1 2 335.408 0.317 20 30 ECEDLO C=CCN(C(=O)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2)[C@H](C)COC ZINC000873940023 590212931 /nfs/dbraw/zinc/21/29/31/590212931.db2.gz LOBLXVUFRFLVMZ-GFCCVEGCSA-N 1 2 335.408 0.317 20 30 ECEDLO Cn1c(Cl)ncc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000874258389 590228766 /nfs/dbraw/zinc/22/87/66/590228766.db2.gz KPNGEQBXVMSXSL-UHFFFAOYSA-N 1 2 325.800 0.762 20 30 ECEDLO CCOCC[NH+]1CCN(C(=O)C(=NOC)c2csc(N)n2)CC1 ZINC000874452729 590241514 /nfs/dbraw/zinc/24/15/14/590241514.db2.gz GMWBERFULSJYNF-UHFFFAOYSA-N 1 2 341.437 0.257 20 30 ECEDLO C#CCCCNC(=O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000875240819 590286309 /nfs/dbraw/zinc/28/63/09/590286309.db2.gz YFFDRPZLFWUOFS-UHFFFAOYSA-N 1 2 346.456 0.781 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000875289344 590290219 /nfs/dbraw/zinc/29/02/19/590290219.db2.gz DJCBTXJDRIYMSW-LSDHHAIUSA-N 1 2 344.415 0.321 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000875289341 590290281 /nfs/dbraw/zinc/29/02/81/590290281.db2.gz DJCBTXJDRIYMSW-CABCVRRESA-N 1 2 344.415 0.321 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000875598990 590312644 /nfs/dbraw/zinc/31/26/44/590312644.db2.gz MZWZJWLKNXUWKZ-ARFHVFGLSA-N 1 2 346.431 0.837 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000875607388 590315261 /nfs/dbraw/zinc/31/52/61/590315261.db2.gz IWLUBSYWOKIGKK-HNNXBMFYSA-N 1 2 349.456 0.547 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000875608440 590315474 /nfs/dbraw/zinc/31/54/74/590315474.db2.gz WIYZTSDTJLZTMM-DLBZAZTESA-N 1 2 343.427 0.656 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000875608440 590315477 /nfs/dbraw/zinc/31/54/77/590315477.db2.gz WIYZTSDTJLZTMM-DLBZAZTESA-N 1 2 343.427 0.656 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879941305 590353638 /nfs/dbraw/zinc/35/36/38/590353638.db2.gz WXFVZPYUWTVPLT-JHJVBQTASA-N 1 2 325.434 0.304 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879941305 590353639 /nfs/dbraw/zinc/35/36/39/590353639.db2.gz WXFVZPYUWTVPLT-JHJVBQTASA-N 1 2 325.434 0.304 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)NCC)c2)CC1 ZINC000128244634 590375408 /nfs/dbraw/zinc/37/54/08/590375408.db2.gz ZLQVFHHDQDUVQM-UHFFFAOYSA-N 1 2 335.429 0.376 20 30 ECEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCC(=O)NCC12COC2 ZINC000880399868 590390030 /nfs/dbraw/zinc/39/00/30/590390030.db2.gz LLMGSPQXQGOKMV-UHFFFAOYSA-N 1 2 331.372 0.537 20 30 ECEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCC(=O)NCC12COC2 ZINC000880399868 590390031 /nfs/dbraw/zinc/39/00/31/590390031.db2.gz LLMGSPQXQGOKMV-UHFFFAOYSA-N 1 2 331.372 0.537 20 30 ECEDLO CO[C@@H]1COCC[C@H]1[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000880437258 590393181 /nfs/dbraw/zinc/39/31/81/590393181.db2.gz IKYBGOTXTDIRDM-ZIAGYGMSSA-N 1 2 339.417 0.463 20 30 ECEDLO CO[C@@H]1COCC[C@H]1[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000880437258 590393184 /nfs/dbraw/zinc/39/31/84/590393184.db2.gz IKYBGOTXTDIRDM-ZIAGYGMSSA-N 1 2 339.417 0.463 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](Cc2cn(C[C@@H]3CCCO3)nn2)CC1 ZINC000876634663 590393543 /nfs/dbraw/zinc/39/35/43/590393543.db2.gz XZUSSOTUIKQKMI-INIZCTEOSA-N 1 2 331.420 0.419 20 30 ECEDLO CCS(=O)(=O)CC[N@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000128636403 590418956 /nfs/dbraw/zinc/41/89/56/590418956.db2.gz GLSDWAUEGDRRPL-OAHLLOKOSA-N 1 2 340.445 0.859 20 30 ECEDLO CCS(=O)(=O)CC[N@@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000128636403 590418959 /nfs/dbraw/zinc/41/89/59/590418959.db2.gz GLSDWAUEGDRRPL-OAHLLOKOSA-N 1 2 340.445 0.859 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)CN(C)C(=O)OC(C)(C)C)nn1 ZINC000881422788 590454314 /nfs/dbraw/zinc/45/43/14/590454314.db2.gz GWGVMMGISKKVIB-AWEZNQCLSA-N 1 2 337.424 0.619 20 30 ECEDLO Cc1ccc(N2CC[NH+](CC(=O)N3CCOCC3)CC2)c(C#N)n1 ZINC000881772780 590471722 /nfs/dbraw/zinc/47/17/22/590471722.db2.gz XYVKUEOFAQJCJG-UHFFFAOYSA-N 1 2 329.404 0.243 20 30 ECEDLO N#CCCN(CCc1ccc(C(N)=O)cc1)CC[NH+]1CCOCC1 ZINC000878159494 590502490 /nfs/dbraw/zinc/50/24/90/590502490.db2.gz MPLNKMBBLDRHEE-UHFFFAOYSA-N 1 2 330.432 0.876 20 30 ECEDLO N#CCC[N@@H+](CCc1ccc(C(N)=O)cc1)CCN1CCOCC1 ZINC000878159494 590502493 /nfs/dbraw/zinc/50/24/93/590502493.db2.gz MPLNKMBBLDRHEE-UHFFFAOYSA-N 1 2 330.432 0.876 20 30 ECEDLO N#CCC[N@H+](CCc1ccc(C(N)=O)cc1)CCN1CCOCC1 ZINC000878159494 590502495 /nfs/dbraw/zinc/50/24/95/590502495.db2.gz MPLNKMBBLDRHEE-UHFFFAOYSA-N 1 2 330.432 0.876 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2nccnc2SC)CC1 ZINC000878737736 590539039 /nfs/dbraw/zinc/53/90/39/590539039.db2.gz RVTCBAASTPKXHA-UHFFFAOYSA-N 1 2 347.444 0.096 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2nccnc2SC)CC1 ZINC000878737736 590539041 /nfs/dbraw/zinc/53/90/41/590539041.db2.gz RVTCBAASTPKXHA-UHFFFAOYSA-N 1 2 347.444 0.096 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc3c(c2)C(=O)OC3)C1 ZINC000885513981 590729871 /nfs/dbraw/zinc/72/98/71/590729871.db2.gz LZXWTXUGGGLHHT-CYBMUJFWSA-N 1 2 334.397 0.733 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc3c(c2)C(=O)OC3)C1 ZINC000885513981 590729877 /nfs/dbraw/zinc/72/98/77/590729877.db2.gz LZXWTXUGGGLHHT-CYBMUJFWSA-N 1 2 334.397 0.733 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(c2ccccc2OC)CC1 ZINC000884175420 590763133 /nfs/dbraw/zinc/76/31/33/590763133.db2.gz SPUJWDVGDMUPMI-AWEZNQCLSA-N 1 2 347.415 0.790 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C1 ZINC000884461634 590833939 /nfs/dbraw/zinc/83/39/39/590833939.db2.gz KDPWWNYCUDDTEE-SAHAZLINSA-N 1 2 339.383 0.694 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C1 ZINC000884461634 590833943 /nfs/dbraw/zinc/83/39/43/590833943.db2.gz KDPWWNYCUDDTEE-SAHAZLINSA-N 1 2 339.383 0.694 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000884471972 590836198 /nfs/dbraw/zinc/83/61/98/590836198.db2.gz LONIVQXBYONEAU-AWEZNQCLSA-N 1 2 331.372 0.308 20 30 ECEDLO Cc1cc(=O)[nH]c(N2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)n1 ZINC000886654336 590868889 /nfs/dbraw/zinc/86/88/89/590868889.db2.gz WGPHXQHNUUBPCG-ZDUSSCGKSA-N 1 2 332.408 0.373 20 30 ECEDLO C#CCSCC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000890266095 591144471 /nfs/dbraw/zinc/14/44/71/591144471.db2.gz INAAIHLAQGNKTD-UHFFFAOYSA-N 1 2 326.462 0.739 20 30 ECEDLO O=C(C#CC1CC1)N1CCC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000946696657 611418281 /nfs/dbraw/zinc/41/82/81/611418281.db2.gz XBOHTRDWEIBCEC-OAHLLOKOSA-N 1 2 340.427 0.966 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000947281842 611476645 /nfs/dbraw/zinc/47/66/45/611476645.db2.gz PYEZUITXUNJIGB-CVEARBPZSA-N 1 2 346.431 0.972 20 30 ECEDLO C#CC1(O)CC[NH+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000931146859 611511586 /nfs/dbraw/zinc/51/15/86/611511586.db2.gz RSRYNMWCKZQHER-UHFFFAOYSA-N 1 2 341.411 0.977 20 30 ECEDLO COCCN(CCC#N)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000931892109 611583218 /nfs/dbraw/zinc/58/32/18/611583218.db2.gz BFXBXTAEGCRPFF-CABCVRRESA-N 1 2 325.409 0.255 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C[C@@H](C)N3CCCC3=O)CC2)C1 ZINC000949512307 608726345 /nfs/dbraw/zinc/72/63/45/608726345.db2.gz WRJOUGKXYGWXOF-MRXNPFEDSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C[C@@H](C)N3CCCC3=O)CC2)C1 ZINC000949512307 608726352 /nfs/dbraw/zinc/72/63/52/608726352.db2.gz WRJOUGKXYGWXOF-MRXNPFEDSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CC[N@@H+](CC(=O)N1CCNC(=O)C1)[C@@H]1CCCc2ccccc21 ZINC000933421691 608752178 /nfs/dbraw/zinc/75/21/78/608752178.db2.gz LMSRJJJANLRNHR-QGZVFWFLSA-N 1 2 325.412 0.958 20 30 ECEDLO C#CC[N@H+](CC(=O)N1CCNC(=O)C1)[C@@H]1CCCc2ccccc21 ZINC000933421691 608752180 /nfs/dbraw/zinc/75/21/80/608752180.db2.gz LMSRJJJANLRNHR-QGZVFWFLSA-N 1 2 325.412 0.958 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1ncnn1C ZINC000947217797 608969268 /nfs/dbraw/zinc/96/92/68/608969268.db2.gz RGJFMSBNMQSNKK-NWDGAFQWSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1ncnn1C ZINC000947217797 608969270 /nfs/dbraw/zinc/96/92/70/608969270.db2.gz RGJFMSBNMQSNKK-NWDGAFQWSA-N 1 2 327.392 0.798 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000936280900 609051374 /nfs/dbraw/zinc/05/13/74/609051374.db2.gz YXIJXVHAIYYUND-INWMFGNUSA-N 1 2 332.404 0.651 20 30 ECEDLO CN(C(=O)CON=C(N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000181845178 609100230 /nfs/dbraw/zinc/10/02/30/609100230.db2.gz LSYSBJPDIGYJNC-INIZCTEOSA-N 1 2 346.431 0.797 20 30 ECEDLO CN(C(=O)CON=C(N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000181845178 609100233 /nfs/dbraw/zinc/10/02/33/609100233.db2.gz LSYSBJPDIGYJNC-INIZCTEOSA-N 1 2 346.431 0.797 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000938168919 609478877 /nfs/dbraw/zinc/47/88/77/609478877.db2.gz HBCKUOMTKASXFN-CABCVRRESA-N 1 2 326.400 0.576 20 30 ECEDLO CN1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC[N@H+](C)CC1 ZINC000907789499 609622181 /nfs/dbraw/zinc/62/21/81/609622181.db2.gz QPEBNEDLXWCZRH-UHFFFAOYSA-N 1 2 340.424 0.565 20 30 ECEDLO CN1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC[N@@H+](C)CC1 ZINC000907789499 609622183 /nfs/dbraw/zinc/62/21/83/609622183.db2.gz QPEBNEDLXWCZRH-UHFFFAOYSA-N 1 2 340.424 0.565 20 30 ECEDLO CN1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC[N@H+](C)CC1 ZINC000907790515 609622562 /nfs/dbraw/zinc/62/25/62/609622562.db2.gz XNICJSATJPMPHP-UHFFFAOYSA-N 1 2 340.424 0.565 20 30 ECEDLO CN1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC[N@@H+](C)CC1 ZINC000907790515 609622564 /nfs/dbraw/zinc/62/25/64/609622564.db2.gz XNICJSATJPMPHP-UHFFFAOYSA-N 1 2 340.424 0.565 20 30 ECEDLO C=CCOC[C@@H](NC(=O)/C=C(\C)C[NH+]1CCOCC1)C(=O)OC ZINC000907926605 609631020 /nfs/dbraw/zinc/63/10/20/609631020.db2.gz BBKZDPRHFNUTHL-JWAFFJSPSA-N 1 2 326.393 0.125 20 30 ECEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cccc(C#CCO)c1 ZINC000908146568 609645126 /nfs/dbraw/zinc/64/51/26/609645126.db2.gz UOCVPCQICRVWRG-QAPCUYQASA-N 1 2 328.412 0.966 20 30 ECEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1F)[C@H]1C[N@H+](C)CCN1C ZINC000919998982 609669539 /nfs/dbraw/zinc/66/95/39/609669539.db2.gz DHYHRUWVZRIWPQ-SMDDNHRTSA-N 1 2 340.424 0.610 20 30 ECEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1F)[C@H]1C[N@@H+](C)CCN1C ZINC000919998982 609669541 /nfs/dbraw/zinc/66/95/41/609669541.db2.gz DHYHRUWVZRIWPQ-SMDDNHRTSA-N 1 2 340.424 0.610 20 30 ECEDLO Cn1cc([C@H]2CN(C(=O)COc3cccc(C#N)c3)CC[NH2+]2)cn1 ZINC000913470449 609677814 /nfs/dbraw/zinc/67/78/14/609677814.db2.gz ZZFQPEYKBJMVIO-MRXNPFEDSA-N 1 2 325.372 0.844 20 30 ECEDLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)NCC#CCO)CC1 ZINC000923761608 609684343 /nfs/dbraw/zinc/68/43/43/609684343.db2.gz VKXKNHYQOQAOCM-UHFFFAOYSA-N 1 2 325.409 0.087 20 30 ECEDLO C#CC[NH+]1CCC(NC(=O)NCCS(=O)(=O)C(C)(C)C)CC1 ZINC000920687213 609689901 /nfs/dbraw/zinc/68/99/01/609689901.db2.gz QZRVCOSWMGEKBW-UHFFFAOYSA-N 1 2 329.466 0.597 20 30 ECEDLO N#CCCn1ccc(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)n1 ZINC000933103096 611708955 /nfs/dbraw/zinc/70/89/55/611708955.db2.gz JLYDZPAZIHMZEH-KGLIPLIRSA-N 1 2 333.392 0.615 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)nc1 ZINC000938375230 609760677 /nfs/dbraw/zinc/76/06/77/609760677.db2.gz NHPUCBAMAKQCAH-HNNXBMFYSA-N 1 2 337.383 0.680 20 30 ECEDLO C#CC[C@H](CO)NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000913927083 609836047 /nfs/dbraw/zinc/83/60/47/609836047.db2.gz UKOSYHOUDABKNV-QGZVFWFLSA-N 1 2 331.416 0.702 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC000938529572 609844293 /nfs/dbraw/zinc/84/42/93/609844293.db2.gz RKBNMSMMUGXZRL-LBPRGKRZSA-N 1 2 343.391 0.151 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCNc1ccc(C#N)cn1 ZINC000916466265 609940347 /nfs/dbraw/zinc/94/03/47/609940347.db2.gz KBMIZAMAZQQNNX-ZDUSSCGKSA-N 1 2 332.408 0.385 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000939304252 610155707 /nfs/dbraw/zinc/15/57/07/610155707.db2.gz UIZAFXBOUPQHSW-KFWWJZLASA-N 1 2 346.431 0.993 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000939304862 610156212 /nfs/dbraw/zinc/15/62/12/610156212.db2.gz ZNZOIZBBUYRRCV-LBPRGKRZSA-N 1 2 326.360 0.525 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC000939307122 610158027 /nfs/dbraw/zinc/15/80/27/610158027.db2.gz NKSCNCFNKXEGHC-OAHLLOKOSA-N 1 2 337.383 0.702 20 30 ECEDLO C=CC[NH+]1CC(N2CCN(C(=O)c3cncc4nc[nH]c43)CC2)C1 ZINC000941416549 610304349 /nfs/dbraw/zinc/30/43/49/610304349.db2.gz DTOWSERRNSPICP-UHFFFAOYSA-N 1 2 326.404 0.586 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c(C)nnn3CC)CC2)C1 ZINC000941436748 610314530 /nfs/dbraw/zinc/31/45/30/610314530.db2.gz DTUFTLJIOYNMDT-UHFFFAOYSA-N 1 2 330.436 0.072 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cn4cc(C)nc4s3)CC2)C1 ZINC000941437097 610314816 /nfs/dbraw/zinc/31/48/16/610314816.db2.gz RSAYHLOMUFVBNO-UHFFFAOYSA-N 1 2 343.456 0.779 20 30 ECEDLO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cn(C)ccc3=O)CC2)C1 ZINC000941479515 610334831 /nfs/dbraw/zinc/33/48/31/610334831.db2.gz HKHBWOUNCRXLTG-UHFFFAOYSA-N 1 2 330.432 0.403 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc(OC)nc3)CC2)C1 ZINC000941480928 610335441 /nfs/dbraw/zinc/33/54/41/610335441.db2.gz ROMPHSCXISVHEX-UHFFFAOYSA-N 1 2 328.416 0.556 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(C(F)F)n(C)n3)CC2)C1 ZINC000941487827 610339053 /nfs/dbraw/zinc/33/90/53/610339053.db2.gz SZWDROXDLPAHDR-UHFFFAOYSA-N 1 2 337.374 0.433 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c(C)onc3C3CC3)CC2)C1 ZINC000941489486 610339628 /nfs/dbraw/zinc/33/96/28/610339628.db2.gz IXVCEZIVCZVKGL-UHFFFAOYSA-N 1 2 328.416 0.936 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3ccn(C(C)C)n3)CC2)C1 ZINC000941495650 610342880 /nfs/dbraw/zinc/34/28/80/610342880.db2.gz GXRYZUYJLCLDST-UHFFFAOYSA-N 1 2 329.448 0.468 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC(=O)N[C@H](CC)C3)CC2)C1 ZINC000941499502 610344292 /nfs/dbraw/zinc/34/42/92/610344292.db2.gz WIORWZYKWUWQQG-HZPDHXFCSA-N 1 2 346.475 0.143 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c[nH]c(=O)cc3OC)CC2)C1 ZINC000941568523 610377198 /nfs/dbraw/zinc/37/71/98/610377198.db2.gz QIAIHEJEUIOWHP-UHFFFAOYSA-N 1 2 344.415 0.261 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c(CC)ncnc3CC)CC2)C1 ZINC000941568460 610377426 /nfs/dbraw/zinc/37/74/26/610377426.db2.gz NSEOLBFZEOACDV-UHFFFAOYSA-N 1 2 341.459 0.677 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(C(C)C)[nH]c3=O)CC2)C1 ZINC000941595176 610390329 /nfs/dbraw/zinc/39/03/29/610390329.db2.gz FRESIMXAFVGLEY-UHFFFAOYSA-N 1 2 342.443 0.986 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3noc4c3CCCC4)CC2)C1 ZINC000941579442 610391924 /nfs/dbraw/zinc/39/19/24/610391924.db2.gz BDVPQAGPPNWFRH-UHFFFAOYSA-N 1 2 328.416 0.629 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccnc(NC(C)=O)c3)CC2)C1 ZINC000941611358 610408331 /nfs/dbraw/zinc/40/83/31/610408331.db2.gz ZSEPZDQESKJIFQ-UHFFFAOYSA-N 1 2 341.415 0.115 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnn(C)c3C(F)F)CC2)C1 ZINC000941633995 610419430 /nfs/dbraw/zinc/41/94/30/610419430.db2.gz BAKHMRYFYGGCKW-UHFFFAOYSA-N 1 2 337.374 0.433 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3CC4(C3)CCOCC4)CC2)C1 ZINC000941639078 610423930 /nfs/dbraw/zinc/42/39/30/610423930.db2.gz MIMWNBLEQFJROG-UHFFFAOYSA-N 1 2 331.460 0.655 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000940900703 610425894 /nfs/dbraw/zinc/42/58/94/610425894.db2.gz JQEBXFKVMRDFBT-OAHLLOKOSA-N 1 2 340.427 0.892 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)Cc3cnn(C)c3)CC2)C1 ZINC000941622321 610426730 /nfs/dbraw/zinc/42/67/30/610426730.db2.gz GZXKDTARUPGCRM-INIZCTEOSA-N 1 2 343.475 0.450 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3coc(CC4CC4)n3)CC2)C1 ZINC000941623514 610427047 /nfs/dbraw/zinc/42/70/47/610427047.db2.gz XKUSOJYUBTVREM-UHFFFAOYSA-N 1 2 328.416 0.702 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3Cc4ccccc4CO3)CC2)C1 ZINC000941654168 610429054 /nfs/dbraw/zinc/42/90/54/610429054.db2.gz AAZWZWGMCWKGOY-IBGZPJMESA-N 1 2 339.439 0.590 20 30 ECEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCCS2(=O)=O)C(C)(C)C1 ZINC000940914629 610431054 /nfs/dbraw/zinc/43/10/54/610431054.db2.gz NXSJGSDUXORAGW-UONOGXRCSA-N 1 2 326.462 0.804 20 30 ECEDLO C#CC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCCS2(=O)=O)C(C)(C)C1 ZINC000940914629 610431056 /nfs/dbraw/zinc/43/10/56/610431056.db2.gz NXSJGSDUXORAGW-UONOGXRCSA-N 1 2 326.462 0.804 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cn3c(C)csc3=O)CC2)C1 ZINC000941662095 610432618 /nfs/dbraw/zinc/43/26/18/610432618.db2.gz VPGAXSNTZVKSJM-UHFFFAOYSA-N 1 2 348.472 0.070 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCn3cc(Cl)cn3)CC2)C1 ZINC000941676642 610449563 /nfs/dbraw/zinc/44/95/63/610449563.db2.gz CGLUWNBVLXWLQF-UHFFFAOYSA-N 1 2 335.839 0.388 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)nc1 ZINC000941679378 610452209 /nfs/dbraw/zinc/45/22/09/610452209.db2.gz JHEHGAWATZDBHC-CQSZACIVSA-N 1 2 337.383 0.370 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(OC)ccc3OC)CC2)C1 ZINC000941665353 610456389 /nfs/dbraw/zinc/45/63/89/610456389.db2.gz UEBXIMHPFUKQDY-UHFFFAOYSA-N 1 2 343.427 0.779 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2cnn(C)n2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941930152 610567826 /nfs/dbraw/zinc/56/78/26/610567826.db2.gz QYYUGRPWJSDUIN-BXUZGUMPSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2cnn(C)n2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941930152 610567828 /nfs/dbraw/zinc/56/78/28/610567828.db2.gz QYYUGRPWJSDUIN-BXUZGUMPSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@H]1C[N@H+](Cc2cnn(C)n2)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941965454 610587711 /nfs/dbraw/zinc/58/77/11/610587711.db2.gz ASWQQCMHDDUEQT-SMDDNHRTSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@H]1C[N@@H+](Cc2cnn(C)n2)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941965454 610587713 /nfs/dbraw/zinc/58/77/13/610587713.db2.gz ASWQQCMHDDUEQT-SMDDNHRTSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2nncn2C)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966593 610588491 /nfs/dbraw/zinc/58/84/91/610588491.db2.gz MNWYUACACJOMBR-YPMHNXCESA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2nncn2C)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966593 610588493 /nfs/dbraw/zinc/58/84/93/610588493.db2.gz MNWYUACACJOMBR-YPMHNXCESA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC000941243134 610615366 /nfs/dbraw/zinc/61/53/66/610615366.db2.gz WEFOBLWCGKFBIL-GOEBONIOSA-N 1 2 348.447 0.318 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000942153015 610675629 /nfs/dbraw/zinc/67/56/29/610675629.db2.gz MMIXPAKTQZTQGN-BFHYXJOUSA-N 1 2 329.404 0.744 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000942983861 610711053 /nfs/dbraw/zinc/71/10/53/610711053.db2.gz WGZWOQXTAUCEJH-XHSDSOJGSA-N 1 2 346.431 0.924 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cn3cccc(C)c3=O)CC2)C1 ZINC000941408833 610722822 /nfs/dbraw/zinc/72/28/22/610722822.db2.gz WGVWLBBSCSSTEW-UHFFFAOYSA-N 1 2 342.443 0.008 20 30 ECEDLO N#Cc1cc(C(=O)N2CCCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c[nH]1 ZINC000943477193 610866521 /nfs/dbraw/zinc/86/65/21/610866521.db2.gz KBMIAOAYNJAHNS-CYBMUJFWSA-N 1 2 340.387 0.963 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnon3)C[C@@H]2C)nn1 ZINC000943494799 610883360 /nfs/dbraw/zinc/88/33/60/610883360.db2.gz AQZZGPDZPXBVRA-WCQYABFASA-N 1 2 331.380 0.488 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cnon3)C[C@@H]2C)nn1 ZINC000943494799 610883362 /nfs/dbraw/zinc/88/33/62/610883362.db2.gz AQZZGPDZPXBVRA-WCQYABFASA-N 1 2 331.380 0.488 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CCN(C(=O)[C@H](C)C#N)CC2 ZINC000945029748 610886580 /nfs/dbraw/zinc/88/65/80/610886580.db2.gz BYHKPVXAAWTWEN-GFCCVEGCSA-N 1 2 329.404 0.871 20 30 ECEDLO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H](C)C1 ZINC000943688995 610947389 /nfs/dbraw/zinc/94/73/89/610947389.db2.gz HFRFVRTVSOYLMD-TZMCWYRMSA-N 1 2 344.419 0.474 20 30 ECEDLO C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H](C)C1 ZINC000943688995 610947391 /nfs/dbraw/zinc/94/73/91/610947391.db2.gz HFRFVRTVSOYLMD-TZMCWYRMSA-N 1 2 344.419 0.474 20 30 ECEDLO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945249808 610982109 /nfs/dbraw/zinc/98/21/09/610982109.db2.gz BTPHIOOJJPBDRY-OCCSQVGLSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000945540006 611064783 /nfs/dbraw/zinc/06/47/83/611064783.db2.gz IWSKBJVATNQRQB-FZMZJTMJSA-N 1 2 340.387 0.819 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC000945974034 611169584 /nfs/dbraw/zinc/16/95/84/611169584.db2.gz AFZYBSXOOJKCCC-HOTGVXAUSA-N 1 2 326.400 0.746 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC000945974038 611169688 /nfs/dbraw/zinc/16/96/88/611169688.db2.gz AFZYBSXOOJKCCC-JKSUJKDBSA-N 1 2 326.400 0.746 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCC(NC(=O)Cc3[nH]cc[nH+]3)CC2)[nH]1 ZINC000946495024 611284272 /nfs/dbraw/zinc/28/42/72/611284272.db2.gz XQNPEYFRFFRUGR-UHFFFAOYSA-N 1 2 326.360 0.573 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1cc(C#N)ccc1F ZINC000888361116 611302506 /nfs/dbraw/zinc/30/25/06/611302506.db2.gz YBUMITHSXRZKOO-CYBMUJFWSA-N 1 2 336.367 0.854 20 30 ECEDLO C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCO[C@](C)(C#N)C1 ZINC000933602363 611735294 /nfs/dbraw/zinc/73/52/94/611735294.db2.gz YTNKSWMJLXWJOQ-CRAIPNDOSA-N 1 2 343.431 0.733 20 30 ECEDLO N#Cc1ccc([C@H]2C[N@H+](C[C@@H](O)C3(O)CCOCC3)CCO2)cc1 ZINC000933631465 611736469 /nfs/dbraw/zinc/73/64/69/611736469.db2.gz JRNKRBSTKIKENI-IAGOWNOFSA-N 1 2 332.400 0.834 20 30 ECEDLO N#Cc1ccc([C@H]2C[N@@H+](C[C@@H](O)C3(O)CCOCC3)CCO2)cc1 ZINC000933631465 611736471 /nfs/dbraw/zinc/73/64/71/611736471.db2.gz JRNKRBSTKIKENI-IAGOWNOFSA-N 1 2 332.400 0.834 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCSC[C@H]1c1cnn(C)c1 ZINC000933986879 611764017 /nfs/dbraw/zinc/76/40/17/611764017.db2.gz KCLJCMUQDUUQNP-ZDUSSCGKSA-N 1 2 337.449 0.912 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCSC[C@H]1c1cnn(C)c1 ZINC000933986879 611764018 /nfs/dbraw/zinc/76/40/18/611764018.db2.gz KCLJCMUQDUUQNP-ZDUSSCGKSA-N 1 2 337.449 0.912 20 30 ECEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCCN1C(N)=O ZINC000948989352 611789848 /nfs/dbraw/zinc/78/98/48/611789848.db2.gz DZLDVNCUDMMUGL-IRXDYDNUSA-N 1 2 340.427 0.878 20 30 ECEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCCN1C(N)=O ZINC000948989352 611789852 /nfs/dbraw/zinc/78/98/52/611789852.db2.gz DZLDVNCUDMMUGL-IRXDYDNUSA-N 1 2 340.427 0.878 20 30 ECEDLO CCN(C(=O)c1ccc(C#N)[nH]1)C1C[NH+](C[C@@H]2CCc3ncnn32)C1 ZINC000949913122 611812117 /nfs/dbraw/zinc/81/21/17/611812117.db2.gz RDIAIJVBRGVMEJ-ZDUSSCGKSA-N 1 2 339.403 0.812 20 30 ECEDLO CCc1nnc(C[NH+]2CCC3(CC2)CN(C(=O)[C@H](C)C#N)CCO3)o1 ZINC000949051709 611829502 /nfs/dbraw/zinc/82/95/02/611829502.db2.gz ONBCCQCFLCKUIL-CYBMUJFWSA-N 1 2 347.419 0.985 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000950746169 611882381 /nfs/dbraw/zinc/88/23/81/611882381.db2.gz FKXRVLDAMVEMOI-ZBFHGGJFSA-N 1 2 326.400 0.576 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000950802654 611914449 /nfs/dbraw/zinc/91/44/49/611914449.db2.gz CALWVHAVPVEXPB-DLTWYDFYSA-N 1 2 346.431 0.827 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000949387323 611960556 /nfs/dbraw/zinc/96/05/56/611960556.db2.gz KPSZPQGGVWNGTK-DZGCQCFKSA-N 1 2 343.431 0.960 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000949387016 611960619 /nfs/dbraw/zinc/96/06/19/611960619.db2.gz FGUBLTAZAHHOQA-UKRRQHHQSA-N 1 2 343.431 0.960 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc4nc[nH]c4n3)CC2)C1 ZINC000949395619 611963410 /nfs/dbraw/zinc/96/34/10/611963410.db2.gz WVRVENLQYPSDEA-UHFFFAOYSA-N 1 2 339.399 0.898 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccc4nc[nH]c4n3)CC2)C1 ZINC000949395619 611963411 /nfs/dbraw/zinc/96/34/11/611963411.db2.gz WVRVENLQYPSDEA-UHFFFAOYSA-N 1 2 339.399 0.898 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cnn4cccnc34)CC2)C1 ZINC000949433399 611978559 /nfs/dbraw/zinc/97/85/59/611978559.db2.gz RTHJAMSEUMABHG-UHFFFAOYSA-N 1 2 339.399 0.670 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cnn4cccnc34)CC2)C1 ZINC000949433399 611978562 /nfs/dbraw/zinc/97/85/62/611978562.db2.gz RTHJAMSEUMABHG-UHFFFAOYSA-N 1 2 339.399 0.670 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](C)c3cncnc3)CC2)C1 ZINC000949447599 611983602 /nfs/dbraw/zinc/98/36/02/611983602.db2.gz VGYILVMAAYADAR-HNNXBMFYSA-N 1 2 328.416 0.907 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](C)c3cncnc3)CC2)C1 ZINC000949447599 611983607 /nfs/dbraw/zinc/98/36/07/611983607.db2.gz VGYILVMAAYADAR-HNNXBMFYSA-N 1 2 328.416 0.907 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](C)[C@@H]3CCC(=O)N3)CC2)C1 ZINC000949480700 611996118 /nfs/dbraw/zinc/99/61/18/611996118.db2.gz XFPOQGBNIINSPR-GJZGRUSLSA-N 1 2 333.432 0.228 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](C)[C@@H]3CCC(=O)N3)CC2)C1 ZINC000949480700 611996120 /nfs/dbraw/zinc/99/61/20/611996120.db2.gz XFPOQGBNIINSPR-GJZGRUSLSA-N 1 2 333.432 0.228 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000950517866 612049740 /nfs/dbraw/zinc/04/97/40/612049740.db2.gz UQINNRFQIGPLPX-ZDUSSCGKSA-N 1 2 340.387 0.881 20 30 ECEDLO N#Cc1cc(C(=O)N2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)c[nH]1 ZINC000950518272 612050088 /nfs/dbraw/zinc/05/00/88/612050088.db2.gz YEVLOSCONLJVHH-CYBMUJFWSA-N 1 2 326.360 0.504 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000953157862 612184201 /nfs/dbraw/zinc/18/42/01/612184201.db2.gz DWCSLIBFMSWDFE-DYVFJYSZSA-N 1 2 329.404 0.953 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)CCc2c[nH]c[nH+]2)nc1 ZINC000951376401 612192799 /nfs/dbraw/zinc/19/27/99/612192799.db2.gz DOIZHRMAZSJVBV-OAHLLOKOSA-N 1 2 337.383 0.750 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)CCc2c[nH+]c[nH]2)nc1 ZINC000951376401 612192800 /nfs/dbraw/zinc/19/28/00/612192800.db2.gz DOIZHRMAZSJVBV-OAHLLOKOSA-N 1 2 337.383 0.750 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)Cc2c[nH+]cn2C)nc1 ZINC000951377937 612194474 /nfs/dbraw/zinc/19/44/74/612194474.db2.gz KLVBTGADPBGRKC-CQSZACIVSA-N 1 2 337.383 0.370 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[NH+](CCn3nc(C)cc3C)CC2)nn1 ZINC000951559936 612344634 /nfs/dbraw/zinc/34/46/34/612344634.db2.gz XVDIGPRUHMKORQ-UHFFFAOYSA-N 1 2 343.435 0.735 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]cn1C ZINC000952565217 612516239 /nfs/dbraw/zinc/51/62/39/612516239.db2.gz SPYAXXAMDGTMEO-MJBXVCDLSA-N 1 2 329.404 0.714 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC000955398175 612543386 /nfs/dbraw/zinc/54/33/86/612543386.db2.gz DVZPNILFCNEPFY-AWEZNQCLSA-N 1 2 348.447 0.460 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc(CC)[nH]n2)C1 ZINC000953772502 612606393 /nfs/dbraw/zinc/60/63/93/612606393.db2.gz CISHMUJJZVTPBD-INIZCTEOSA-N 1 2 343.431 0.353 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc(CC)[nH]n2)C1 ZINC000953772502 612606399 /nfs/dbraw/zinc/60/63/99/612606399.db2.gz CISHMUJJZVTPBD-INIZCTEOSA-N 1 2 343.431 0.353 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000956129268 612729880 /nfs/dbraw/zinc/72/98/80/612729880.db2.gz DFQOXFGPZMKNHD-LZWOXQAQSA-N 1 2 346.431 0.959 20 30 ECEDLO CCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000956592750 612921179 /nfs/dbraw/zinc/92/11/79/612921179.db2.gz MVYPBLLBEBBGLR-AWEZNQCLSA-N 1 2 329.404 0.655 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)COC)C2)CC1 ZINC000956607001 612925036 /nfs/dbraw/zinc/92/50/36/612925036.db2.gz XRQNJYVFJKODDI-QAPCUYQASA-N 1 2 337.464 0.980 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)COC)C2)CC1 ZINC000956607002 612925108 /nfs/dbraw/zinc/92/51/08/612925108.db2.gz XRQNJYVFJKODDI-YJBOKZPZSA-N 1 2 337.464 0.980 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001078036224 782189062 /nfs/dbraw/zinc/18/90/62/782189062.db2.gz LWNQBLJHOSPOBD-JSGCOSHPSA-N 1 2 349.435 0.434 20 30 ECEDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cnc(C#N)cn3)C2)C1 ZINC001164720317 720220147 /nfs/dbraw/zinc/22/01/47/720220147.db2.gz YFWGASSXSYZVGT-QGZVFWFLSA-N 1 2 344.419 0.013 20 30 ECEDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cnc(C#N)cn3)C2)C1 ZINC001164720317 720220159 /nfs/dbraw/zinc/22/01/59/720220159.db2.gz YFWGASSXSYZVGT-QGZVFWFLSA-N 1 2 344.419 0.013 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nncn1C ZINC001024987605 738461733 /nfs/dbraw/zinc/46/17/33/738461733.db2.gz NOLIXZCWBRZEPP-CVEARBPZSA-N 1 2 344.463 0.383 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc3cnccc3c2)[C@@H](n2ccnn2)C1 ZINC001069979500 790272450 /nfs/dbraw/zinc/27/24/50/790272450.db2.gz JVTHYVYDNMAARN-SJORKVTESA-N 1 2 347.382 0.510 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3cnccc3c2)[C@@H](n2ccnn2)C1 ZINC001069979500 790272452 /nfs/dbraw/zinc/27/24/52/790272452.db2.gz JVTHYVYDNMAARN-SJORKVTESA-N 1 2 347.382 0.510 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC000969787728 732348970 /nfs/dbraw/zinc/34/89/70/732348970.db2.gz FVGNIISPRYOIGU-CHWSQXEVSA-N 1 2 343.855 0.670 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(c3ccccc3)CCCO2)C1 ZINC001078075330 782259133 /nfs/dbraw/zinc/25/91/33/782259133.db2.gz KTFLLDGPNXTELL-LMMKCTJWSA-N 1 2 328.412 0.877 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(c3ccccc3)CCCO2)C1 ZINC001078075330 782259142 /nfs/dbraw/zinc/25/91/42/782259142.db2.gz KTFLLDGPNXTELL-LMMKCTJWSA-N 1 2 328.412 0.877 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@@H]([NH2+]Cc3nc(N(C)C)no3)C2)c1 ZINC000969889031 732485721 /nfs/dbraw/zinc/48/57/21/732485721.db2.gz YPVKKLQKFWBCRH-CQSZACIVSA-N 1 2 340.387 0.516 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C(F)(F)F)cnn2C)C1 ZINC001078098858 782300102 /nfs/dbraw/zinc/30/01/02/782300102.db2.gz ITZNCNMRWQZSIW-GHMZBOCLSA-N 1 2 330.310 0.237 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C(F)(F)F)cnn2C)C1 ZINC001078098858 782300109 /nfs/dbraw/zinc/30/01/09/782300109.db2.gz ITZNCNMRWQZSIW-GHMZBOCLSA-N 1 2 330.310 0.237 20 30 ECEDLO CN(C[C@H](O)CN(C)c1ccc(C#N)nc1)C(=O)CCc1c[nH]c[nH+]1 ZINC001125322054 733001518 /nfs/dbraw/zinc/00/15/18/733001518.db2.gz UJYRNJPPPYJCFW-MRXNPFEDSA-N 1 2 342.403 0.565 20 30 ECEDLO CN(C[C@H](O)CN(C)c1ccc(C#N)nc1)C(=O)CCc1c[nH+]c[nH]1 ZINC001125322054 733001525 /nfs/dbraw/zinc/00/15/25/733001525.db2.gz UJYRNJPPPYJCFW-MRXNPFEDSA-N 1 2 342.403 0.565 20 30 ECEDLO C[C@@H](NC(=O)c1nnn(C)n1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000970290099 733314920 /nfs/dbraw/zinc/31/49/20/733314920.db2.gz SALMBJMOTXHVEL-SNVBAGLBSA-N 1 2 343.366 0.471 20 30 ECEDLO Cc1nc(N(C)C)nc(NCC2(O)CCN(C(=O)[C@H](C)C#N)CC2)[nH+]1 ZINC001067471563 733554140 /nfs/dbraw/zinc/55/41/40/733554140.db2.gz HKZRMOHLRPXYLZ-LLVKDONJSA-N 1 2 347.423 0.171 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H](C)C2C[NH+](Cc3ccnn3C)C2)nn1 ZINC000970546885 733664764 /nfs/dbraw/zinc/66/47/64/733664764.db2.gz DNQHQVYMFJCRDI-GFCCVEGCSA-N 1 2 329.408 0.448 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC000970689312 733832327 /nfs/dbraw/zinc/83/23/27/733832327.db2.gz QWPMOZSGLLFYBW-BHPKHCPMSA-N 1 2 346.431 0.424 20 30 ECEDLO N#Cc1cncc(NCCN(CCO)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC001111583855 733976599 /nfs/dbraw/zinc/97/65/99/733976599.db2.gz SBAREVOAICXMOQ-CHWSQXEVSA-N 1 2 341.375 0.108 20 30 ECEDLO N#Cc1cncc(NCCN(CCO)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1 ZINC001111583855 733976601 /nfs/dbraw/zinc/97/66/01/733976601.db2.gz SBAREVOAICXMOQ-CHWSQXEVSA-N 1 2 341.375 0.108 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4[nH]c(=O)[nH]c4c3)[C@H]2C1 ZINC001083209263 734119595 /nfs/dbraw/zinc/11/95/95/734119595.db2.gz XWZAWJPZBKRFFY-LSDHHAIUSA-N 1 2 326.356 0.427 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4[nH]c(=O)[nH]c4c3)[C@H]2C1 ZINC001083209263 734119597 /nfs/dbraw/zinc/11/95/97/734119597.db2.gz XWZAWJPZBKRFFY-LSDHHAIUSA-N 1 2 326.356 0.427 20 30 ECEDLO C=CCCOCC(=O)N1CCC[C@H]([NH2+]Cc2nc(COC)no2)C1 ZINC001211354804 734274999 /nfs/dbraw/zinc/27/49/99/734274999.db2.gz HIQHGTQVYULHEI-ZDUSSCGKSA-N 1 2 338.408 0.889 20 30 ECEDLO N#Cc1ccc(N2CCO[C@H](CNC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001104322063 734298527 /nfs/dbraw/zinc/29/85/27/734298527.db2.gz UULSMIQYLOCXJE-OAHLLOKOSA-N 1 2 326.360 0.171 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]([N@H+](C)Cc2nc(-c3ccncn3)no2)C1 ZINC000971212226 734363408 /nfs/dbraw/zinc/36/34/08/734363408.db2.gz XDCRJEKFDTVCGR-NEPJUHHUSA-N 1 2 341.375 0.719 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]([N@@H+](C)Cc2nc(-c3ccncn3)no2)C1 ZINC000971212226 734363410 /nfs/dbraw/zinc/36/34/10/734363410.db2.gz XDCRJEKFDTVCGR-NEPJUHHUSA-N 1 2 341.375 0.719 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4ccccc4O3)[C@H]2C1 ZINC001083226061 735131540 /nfs/dbraw/zinc/13/15/40/735131540.db2.gz DZCHNWFQUPFSAM-RYQLBKOJSA-N 1 2 326.396 0.925 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4ccccc4O3)[C@H]2C1 ZINC001083226061 735131541 /nfs/dbraw/zinc/13/15/41/735131541.db2.gz DZCHNWFQUPFSAM-RYQLBKOJSA-N 1 2 326.396 0.925 20 30 ECEDLO C=CCCOCC(=O)NCCN(CC)c1[nH+]cnc2c1cnn2C ZINC001100551925 735205537 /nfs/dbraw/zinc/20/55/37/735205537.db2.gz AWLQOLJGCMWNTQ-UHFFFAOYSA-N 1 2 332.408 0.899 20 30 ECEDLO CCN(CCNC(=O)CCCn1cc[nH+]c1)c1ccnc(C#N)n1 ZINC001100557411 735278711 /nfs/dbraw/zinc/27/87/11/735278711.db2.gz PMLVWLLKSOHGNX-UHFFFAOYSA-N 1 2 327.392 0.968 20 30 ECEDLO CCN(CCNC(=O)Cc1[nH]c[nH+]c1C)c1nc(C)cc(C#N)n1 ZINC001100577592 735657543 /nfs/dbraw/zinc/65/75/43/735657543.db2.gz GYZKATRXEXGTQM-UHFFFAOYSA-N 1 2 327.392 0.873 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCn3ccccc3=O)C2)C1 ZINC000972406993 736134557 /nfs/dbraw/zinc/13/45/57/736134557.db2.gz JJSHWFNUGGDEPG-GOSISDBHSA-N 1 2 329.400 0.175 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCn3ccccc3=O)C2)C1 ZINC000972406993 736134558 /nfs/dbraw/zinc/13/45/58/736134558.db2.gz 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C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc4ncnn43)C2)C1 ZINC000972453909 736236705 /nfs/dbraw/zinc/23/67/05/736236705.db2.gz QVLHPZGGXKKJHE-QGZVFWFLSA-N 1 2 327.388 0.832 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)C2)C1 ZINC000972455981 736245095 /nfs/dbraw/zinc/24/50/95/736245095.db2.gz PDEDISLLKUUTOL-IEBWSBKVSA-N 1 2 347.459 0.572 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)C2)C1 ZINC000972455981 736245098 /nfs/dbraw/zinc/24/50/98/736245098.db2.gz PDEDISLLKUUTOL-IEBWSBKVSA-N 1 2 347.459 0.572 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 ZINC000972461172 736256818 /nfs/dbraw/zinc/25/68/18/736256818.db2.gz ONZBUKPQBRGXFQ-GOSISDBHSA-N 1 2 344.415 0.606 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 ZINC000972461172 736256820 /nfs/dbraw/zinc/25/68/20/736256820.db2.gz ONZBUKPQBRGXFQ-GOSISDBHSA-N 1 2 344.415 0.606 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nncn4CC3)C2)C1 ZINC000972470307 736276607 /nfs/dbraw/zinc/27/66/07/736276607.db2.gz CQOZRHACNLXDNW-QAPCUYQASA-N 1 2 343.431 0.167 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nncn4CC3)C2)C1 ZINC000972470307 736276610 /nfs/dbraw/zinc/27/66/10/736276610.db2.gz CQOZRHACNLXDNW-QAPCUYQASA-N 1 2 343.431 0.167 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCNC(=O)CC3)C2)C1 ZINC000972480475 736306513 /nfs/dbraw/zinc/30/65/13/736306513.db2.gz MRWAAMQUOVCDDR-MAUKXSAKSA-N 1 2 333.432 0.229 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCNC(=O)CC3)C2)C1 ZINC000972480475 736306517 /nfs/dbraw/zinc/30/65/17/736306517.db2.gz MRWAAMQUOVCDDR-MAUKXSAKSA-N 1 2 333.432 0.229 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4cnn(C)c4C3)C2)C1 ZINC000972517128 736527889 /nfs/dbraw/zinc/52/78/89/736527889.db2.gz BBONQIHEVOLJOL-KXBFYZLASA-N 1 2 342.443 0.462 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4cnn(C)c4C3)C2)C1 ZINC000972517128 736527894 /nfs/dbraw/zinc/52/78/94/736527894.db2.gz BBONQIHEVOLJOL-KXBFYZLASA-N 1 2 342.443 0.462 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCc4nn[nH]c43)C2)C1 ZINC000972525060 736570961 /nfs/dbraw/zinc/57/09/61/736570961.db2.gz XZPVOWPMGLYTLK-SUMWQHHRSA-N 1 2 331.420 0.714 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCc4nn[nH]c43)C2)C1 ZINC000972525060 736570964 /nfs/dbraw/zinc/57/09/64/736570964.db2.gz XZPVOWPMGLYTLK-SUMWQHHRSA-N 1 2 331.420 0.714 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCC(=O)N3)C2)C1 ZINC000972542793 736651854 /nfs/dbraw/zinc/65/18/54/736651854.db2.gz CPDDDBNKFJWSPT-QAPCUYQASA-N 1 2 333.432 0.372 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCC(=O)N3)C2)C1 ZINC000972542793 736651857 /nfs/dbraw/zinc/65/18/57/736651857.db2.gz CPDDDBNKFJWSPT-QAPCUYQASA-N 1 2 333.432 0.372 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023296291 736655665 /nfs/dbraw/zinc/65/56/65/736655665.db2.gz UPGAWPLGQHPPIH-NWDGAFQWSA-N 1 2 342.407 0.613 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@H+]1CCC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023296291 736655666 /nfs/dbraw/zinc/65/56/66/736655666.db2.gz UPGAWPLGQHPPIH-NWDGAFQWSA-N 1 2 342.407 0.613 20 30 ECEDLO C[C@H](c1nnnn1C)[N@@H+]1CCC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023296293 736655796 /nfs/dbraw/zinc/65/57/96/736655796.db2.gz UPGAWPLGQHPPIH-VXGBXAGGSA-N 1 2 342.407 0.613 20 30 ECEDLO C[C@H](c1nnnn1C)[N@H+]1CCC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023296293 736655797 /nfs/dbraw/zinc/65/57/97/736655797.db2.gz UPGAWPLGQHPPIH-VXGBXAGGSA-N 1 2 342.407 0.613 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@]2(C1)CN(CC#N)CCO2 ZINC000972557939 736757531 /nfs/dbraw/zinc/75/75/31/736757531.db2.gz VASQWPBLNXHZRY-CPUCHLNUSA-N 1 2 329.404 0.350 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(C)nn(C)c3OC)C2)C1 ZINC000972577861 736916807 /nfs/dbraw/zinc/91/68/07/736916807.db2.gz POCSDBNFVGIFBJ-GOSISDBHSA-N 1 2 346.431 0.677 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(C)nn(C)c3OC)C2)C1 ZINC000972577861 736916811 /nfs/dbraw/zinc/91/68/11/736916811.db2.gz POCSDBNFVGIFBJ-GOSISDBHSA-N 1 2 346.431 0.677 20 30 ECEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)ccc1F ZINC000981968779 751381210 /nfs/dbraw/zinc/38/12/10/751381210.db2.gz CJPPOGKRBGQVGS-CABCVRRESA-N 1 2 344.390 0.853 20 30 ECEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)ccc1F ZINC000981968779 751381217 /nfs/dbraw/zinc/38/12/17/751381217.db2.gz CJPPOGKRBGQVGS-CABCVRRESA-N 1 2 344.390 0.853 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCN(C)C3=O)C2)C1 ZINC000972635214 737184277 /nfs/dbraw/zinc/18/42/77/737184277.db2.gz PSHYXJLMPLESNC-YJBOKZPZSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCN(C)C3=O)C2)C1 ZINC000972635214 737184280 /nfs/dbraw/zinc/18/42/80/737184280.db2.gz PSHYXJLMPLESNC-YJBOKZPZSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(OC)c(OC)c3)[C@H]2C1 ZINC001083263064 737188166 /nfs/dbraw/zinc/18/81/66/737188166.db2.gz CJGCVKCHAFJVLH-WMLDXEAASA-N 1 2 330.384 0.862 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(OC)c(OC)c3)[C@H]2C1 ZINC001083263064 737188168 /nfs/dbraw/zinc/18/81/68/737188168.db2.gz CJGCVKCHAFJVLH-WMLDXEAASA-N 1 2 330.384 0.862 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCCCC(=O)N3)C2)C1 ZINC000972654516 737261371 /nfs/dbraw/zinc/26/13/71/737261371.db2.gz QUSGFFMFTFODJZ-YJBOKZPZSA-N 1 2 335.448 0.925 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCCCC(=O)N3)C2)C1 ZINC000972654516 737261374 /nfs/dbraw/zinc/26/13/74/737261374.db2.gz QUSGFFMFTFODJZ-YJBOKZPZSA-N 1 2 335.448 0.925 20 30 ECEDLO N#Cc1cnc(NCCN(CCO)C(=O)CCCn2cc[nH+]c2)cn1 ZINC001111484438 737303133 /nfs/dbraw/zinc/30/31/33/737303133.db2.gz AVTFXPYLWJWDAG-UHFFFAOYSA-N 1 2 343.391 0.258 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nnc(C)n4C3)C2)C1 ZINC000972687019 737379051 /nfs/dbraw/zinc/37/90/51/737379051.db2.gz FFDRMGUQUOULFT-MAUKXSAKSA-N 1 2 343.431 0.085 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nnc(C)n4C3)C2)C1 ZINC000972687019 737379056 /nfs/dbraw/zinc/37/90/56/737379056.db2.gz FFDRMGUQUOULFT-MAUKXSAKSA-N 1 2 343.431 0.085 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc4ccccc4oc3=O)[C@H]2C1 ZINC001083264369 737406953 /nfs/dbraw/zinc/40/69/53/737406953.db2.gz VUSRAOJVWAFXOD-DOTOQJQBSA-N 1 2 338.363 0.951 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4ccccc4oc3=O)[C@H]2C1 ZINC001083264369 737406955 /nfs/dbraw/zinc/40/69/55/737406955.db2.gz VUSRAOJVWAFXOD-DOTOQJQBSA-N 1 2 338.363 0.951 20 30 ECEDLO C#CCN1CCO[C@]2(CCN(C(=O)[C@@H](c3cccnc3)[NH+](C)C)C2)C1 ZINC000972695928 737407991 /nfs/dbraw/zinc/40/79/91/737407991.db2.gz VOZWPAYTPFAQJA-IEBWSBKVSA-N 1 2 342.443 0.621 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)nn(C)c2Cl)[C@@H](n2ccnn2)C1 ZINC001069992688 790287787 /nfs/dbraw/zinc/28/77/87/790287787.db2.gz PLUVVMBMYNGRMA-NEPJUHHUSA-N 1 2 347.810 0.262 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)nn(C)c2Cl)[C@@H](n2ccnn2)C1 ZINC001069992688 790287791 /nfs/dbraw/zinc/28/77/91/790287791.db2.gz PLUVVMBMYNGRMA-NEPJUHHUSA-N 1 2 347.810 0.262 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024378237 737935292 /nfs/dbraw/zinc/93/52/92/737935292.db2.gz JTPBLTSQAWMROE-HBJVGIJOSA-N 1 2 332.404 0.413 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024378237 737935295 /nfs/dbraw/zinc/93/52/95/737935295.db2.gz JTPBLTSQAWMROE-HBJVGIJOSA-N 1 2 332.404 0.413 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2cn[nH]n2)C1=O ZINC001024527355 738062508 /nfs/dbraw/zinc/06/25/08/738062508.db2.gz QWKQKGMGAQLRLJ-JSGCOSHPSA-N 1 2 332.408 0.176 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2CNC(=O)c2cn[nH]n2)C1=O ZINC001024527355 738062513 /nfs/dbraw/zinc/06/25/13/738062513.db2.gz QWKQKGMGAQLRLJ-JSGCOSHPSA-N 1 2 332.408 0.176 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2cnn[nH]2)C1=O ZINC001024527355 738062517 /nfs/dbraw/zinc/06/25/17/738062517.db2.gz QWKQKGMGAQLRLJ-JSGCOSHPSA-N 1 2 332.408 0.176 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2CNC(=O)c2cnn[nH]2)C1=O ZINC001024527355 738062523 /nfs/dbraw/zinc/06/25/23/738062523.db2.gz QWKQKGMGAQLRLJ-JSGCOSHPSA-N 1 2 332.408 0.176 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CC3CS(=O)(=O)C3)C(C)(C)[C@H]21 ZINC001087293138 738135064 /nfs/dbraw/zinc/13/50/64/738135064.db2.gz YWBNYFHLAJYZEJ-KBMXLJTQSA-N 1 2 338.473 0.660 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CC3CS(=O)(=O)C3)C(C)(C)[C@H]21 ZINC001087293138 738135065 /nfs/dbraw/zinc/13/50/65/738135065.db2.gz YWBNYFHLAJYZEJ-KBMXLJTQSA-N 1 2 338.473 0.660 20 30 ECEDLO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)CC1=O ZINC001038311925 738234873 /nfs/dbraw/zinc/23/48/73/738234873.db2.gz QHMIGLBLPSRWII-RYUDHWBXSA-N 1 2 332.429 0.789 20 30 ECEDLO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)CC1=O ZINC001038311925 738234878 /nfs/dbraw/zinc/23/48/78/738234878.db2.gz QHMIGLBLPSRWII-RYUDHWBXSA-N 1 2 332.429 0.789 20 30 ECEDLO COCCc1noc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H](C)C#N)n1 ZINC001024901848 738383805 /nfs/dbraw/zinc/38/38/05/738383805.db2.gz AJARWZZRDYSDGE-CHWSQXEVSA-N 1 2 335.408 0.889 20 30 ECEDLO Cc1cc(NC[C@H](C)N(C)C(=O)Cc2c[nH+]cn2C)c(C#N)cn1 ZINC001104625146 739261815 /nfs/dbraw/zinc/26/18/15/739261815.db2.gz YSJISZIXMXSZSV-ZDUSSCGKSA-N 1 2 326.404 0.919 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000973467225 739338959 /nfs/dbraw/zinc/33/89/59/739338959.db2.gz BVHJIJSOKTVOLU-GBOPCIDUSA-N 1 2 332.404 0.317 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2O)C1 ZINC001025541949 739702724 /nfs/dbraw/zinc/70/27/24/739702724.db2.gz PTQQYNFLHDWNDO-ZIAGYGMSSA-N 1 2 332.404 0.007 20 30 ECEDLO N#Cc1cncc(N2CCC3(C[C@H]3NC(=O)Cc3c[nH]c[nH+]3)CC2)n1 ZINC001058650329 739777544 /nfs/dbraw/zinc/77/75/44/739777544.db2.gz KUPNHZPBRAMUCL-CQSZACIVSA-N 1 2 337.387 0.789 20 30 ECEDLO N#Cc1nccnc1N1CCC2(C[C@H]2NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001058650467 739778949 /nfs/dbraw/zinc/77/89/49/739778949.db2.gz NGPTUTNMHUWWQZ-CQSZACIVSA-N 1 2 337.387 0.789 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc[nH]c2CCC)[C@@H](n2ccnn2)C1 ZINC001070004345 790303371 /nfs/dbraw/zinc/30/33/71/790303371.db2.gz AHQKRHMDTWCLGZ-CVEARBPZSA-N 1 2 326.404 0.847 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c2CCC)[C@@H](n2ccnn2)C1 ZINC001070004345 790303376 /nfs/dbraw/zinc/30/33/76/790303376.db2.gz AHQKRHMDTWCLGZ-CVEARBPZSA-N 1 2 326.404 0.847 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)COc3cc(F)cc(F)c3)[C@H]2C1 ZINC001083286459 740145841 /nfs/dbraw/zinc/14/58/41/740145841.db2.gz LEHCLUHMYCNCQV-JKSUJKDBSA-N 1 2 336.338 0.888 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)COc3cc(F)cc(F)c3)[C@H]2C1 ZINC001083286459 740145842 /nfs/dbraw/zinc/14/58/42/740145842.db2.gz LEHCLUHMYCNCQV-JKSUJKDBSA-N 1 2 336.338 0.888 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001025937402 740265530 /nfs/dbraw/zinc/26/55/30/740265530.db2.gz MFGQYGFSHIAMHJ-RNWYCLNJSA-N 1 2 342.237 0.453 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001025937402 740265533 /nfs/dbraw/zinc/26/55/33/740265533.db2.gz MFGQYGFSHIAMHJ-RNWYCLNJSA-N 1 2 342.237 0.453 20 30 ECEDLO C#CC[N@H+]1CCCC2(CN(C(=O)C3(S(C)(=O)=O)CCCC3)C2)C1 ZINC000982067774 751548486 /nfs/dbraw/zinc/54/84/86/751548486.db2.gz MZGMKKVNLDHFFO-UHFFFAOYSA-N 1 2 338.473 0.901 20 30 ECEDLO C#CC[N@@H+]1CCCC2(CN(C(=O)C3(S(C)(=O)=O)CCCC3)C2)C1 ZINC000982067774 751548491 /nfs/dbraw/zinc/54/84/91/751548491.db2.gz MZGMKKVNLDHFFO-UHFFFAOYSA-N 1 2 338.473 0.901 20 30 ECEDLO C[C@@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001104813916 740570209 /nfs/dbraw/zinc/57/02/09/740570209.db2.gz BZAOJZGYLIPPGI-YNEHKIRRSA-N 1 2 339.403 0.566 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH2+]Cc1cn([C@H]2CCN(C(=O)C(C)C)C2)nn1 ZINC001098615241 741063295 /nfs/dbraw/zinc/06/32/95/741063295.db2.gz NNMQULCRBSXCPB-HIFRSBDPSA-N 1 2 348.451 0.488 20 30 ECEDLO CC(C)C[C@@H](CNc1ccnc(C#N)n1)NC(=O)CCn1cc[nH+]c1 ZINC001104977566 741077228 /nfs/dbraw/zinc/07/72/28/741077228.db2.gz ROIWKGYQHFPJKV-AWEZNQCLSA-N 1 2 341.419 1.000 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000974275680 741217962 /nfs/dbraw/zinc/21/79/62/741217962.db2.gz UHCLAZKDHNNVCU-CALCHBBNSA-N 1 2 336.395 0.871 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)CC(C)C)C2)nn1 ZINC001105139445 741412344 /nfs/dbraw/zinc/41/23/44/741412344.db2.gz GONUHLKEUVYFFW-CYBMUJFWSA-N 1 2 348.451 0.488 20 30 ECEDLO C=CCCC(=O)N1CC(n2cc(C[NH2+][C@@H]3CCN(CC)C3=O)nn2)C1 ZINC001105183018 741448595 /nfs/dbraw/zinc/44/85/95/741448595.db2.gz AFNPOLVJEQLTAD-OAHLLOKOSA-N 1 2 346.435 0.338 20 30 ECEDLO C=CCOCC(=O)N1CC(n2cc(C[NH2+]C/C=C\Cl)nn2)C1 ZINC001105192379 741458650 /nfs/dbraw/zinc/45/86/50/741458650.db2.gz QCXAVRACRYSBRB-ARJAWSKDSA-N 1 2 325.800 0.706 20 30 ECEDLO CCC[C@@H](C)C(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105197389 741459082 /nfs/dbraw/zinc/45/90/82/741459082.db2.gz RKDMMTCRRVDSKA-CQSZACIVSA-N 1 2 333.436 0.837 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)c3coc(C)n3)C2)nn1 ZINC001105221797 741497068 /nfs/dbraw/zinc/49/70/68/741497068.db2.gz WLXMVWZNYOSURK-UHFFFAOYSA-N 1 2 344.375 0.011 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC3(F)F)C2)nn1 ZINC001105230824 741515322 /nfs/dbraw/zinc/51/53/22/741515322.db2.gz ZJLKGBLTQGFLTC-ZDUSSCGKSA-N 1 2 339.346 0.056 20 30 ECEDLO C=CCC(CC=C)C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105249420 741553376 /nfs/dbraw/zinc/55/33/76/741553376.db2.gz UOUGDDPZJRWKGP-UHFFFAOYSA-N 1 2 332.408 0.005 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc4cc[nH]c4n3)C2)nn1 ZINC001105264273 741598988 /nfs/dbraw/zinc/59/89/88/741598988.db2.gz CQXNJDVFAGUTPT-UHFFFAOYSA-N 1 2 349.398 0.964 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3OCC[C@H]3CC)C2)nn1 ZINC001105264838 741603004 /nfs/dbraw/zinc/60/30/04/741603004.db2.gz QRZPTWLQYOXKJN-CJNGLKHVSA-N 1 2 331.420 0.589 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3nncc4ccccc43)C2)nn1 ZINC001105281090 741638086 /nfs/dbraw/zinc/63/80/86/741638086.db2.gz UJQMIBBNUJCFII-UHFFFAOYSA-N 1 2 347.382 0.641 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3nccc4occc43)C2)nn1 ZINC001105290144 741651262 /nfs/dbraw/zinc/65/12/62/741651262.db2.gz NGKXETGIOLRPQT-UHFFFAOYSA-N 1 2 336.355 0.839 20 30 ECEDLO CC(C)[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)Nc1ccnc(C#N)n1 ZINC001105291432 741653020 /nfs/dbraw/zinc/65/30/20/741653020.db2.gz IXCUAQBSWIXWRX-GXTWGEPZSA-N 1 2 341.419 0.925 20 30 ECEDLO CC(C)[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)Nc1ccnc(C#N)n1 ZINC001105291432 741653022 /nfs/dbraw/zinc/65/30/22/741653022.db2.gz IXCUAQBSWIXWRX-GXTWGEPZSA-N 1 2 341.419 0.925 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CC(n2cc(C[NH2+]CC(=O)N(C)C)nn2)C1 ZINC001105309803 741718334 /nfs/dbraw/zinc/71/83/34/741718334.db2.gz CTSHVSMDVIAEJF-ZDUSSCGKSA-N 1 2 348.451 0.442 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(=O)NC)nn2)C1 ZINC001105309824 741718907 /nfs/dbraw/zinc/71/89/07/741718907.db2.gz DCBABPRYBSDHIJ-QWHCGFSZSA-N 1 2 348.451 0.488 20 30 ECEDLO C=CCCCC(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(=O)N(C)C)nn2)C1 ZINC001105317402 741752344 /nfs/dbraw/zinc/75/23/44/741752344.db2.gz WZFDTSRXEPJXBF-ZDUSSCGKSA-N 1 2 348.451 0.584 20 30 ECEDLO CC[C@@H](C)C(=O)N1CC[C@H](n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001098622123 741767468 /nfs/dbraw/zinc/76/74/68/741767468.db2.gz AVSBTRBOPUVBDX-ZBFHGGJFSA-N 1 2 333.436 0.837 20 30 ECEDLO N#CCNCc1cn(C2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)nn1 ZINC001105325635 741802350 /nfs/dbraw/zinc/80/23/50/741802350.db2.gz UYGOJYHICNMJNP-CYBMUJFWSA-N 1 2 340.391 0.118 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)C3(CF)CCC3)C2)nn1 ZINC001105328615 741822824 /nfs/dbraw/zinc/82/28/24/741822824.db2.gz MXJCBVQVLYFBMR-UHFFFAOYSA-N 1 2 349.410 0.541 20 30 ECEDLO C=CCC1(C(=O)N(CCO)CCNC(=O)Cc2c[nH]c[nH+]2)CCC1 ZINC001058732790 741825698 /nfs/dbraw/zinc/82/56/98/741825698.db2.gz LKRGXWGFWGCPGK-UHFFFAOYSA-N 1 2 334.420 0.636 20 30 ECEDLO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCCS2(=O)=O)C(C)(C)C1 ZINC000974660890 741968185 /nfs/dbraw/zinc/96/81/85/741968185.db2.gz FLWOXINTJSZBKP-UONOGXRCSA-N 1 2 326.462 0.804 20 30 ECEDLO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCCS2(=O)=O)C(C)(C)C1 ZINC000974660890 741968187 /nfs/dbraw/zinc/96/81/87/741968187.db2.gz FLWOXINTJSZBKP-UONOGXRCSA-N 1 2 326.462 0.804 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)C(C)C)C2)nn1 ZINC001105336293 742359172 /nfs/dbraw/zinc/35/91/72/742359172.db2.gz BRVQEICBUAQHLB-ZDUSSCGKSA-N 1 2 348.451 0.345 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)[nH]1 ZINC000975227398 742621919 /nfs/dbraw/zinc/62/19/19/742621919.db2.gz FDBTXURZOSDKMI-LBPRGKRZSA-N 1 2 340.387 0.821 20 30 ECEDLO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3csnn3)C2)c1 ZINC001077465712 742891044 /nfs/dbraw/zinc/89/10/44/742891044.db2.gz MBBGGVAKBABNFW-TZMCWYRMSA-N 1 2 329.385 0.385 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3csnn3)C2)c1 ZINC001077465712 742891055 /nfs/dbraw/zinc/89/10/55/742891055.db2.gz MBBGGVAKBABNFW-TZMCWYRMSA-N 1 2 329.385 0.385 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](OC)C3CCC3)C2)nn1 ZINC001098694696 743466041 /nfs/dbraw/zinc/46/60/41/743466041.db2.gz HFLQWNKDRGYANS-HOTGVXAUSA-N 1 2 331.420 0.589 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001059867937 751831742 /nfs/dbraw/zinc/83/17/42/751831742.db2.gz ZGXURFDXRQGEQW-OAGGEKHMSA-N 1 2 346.431 0.829 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 ZINC000976330243 743828492 /nfs/dbraw/zinc/82/84/92/743828492.db2.gz OWLSZKJUFFLMIK-VIKVFOODSA-N 1 2 338.371 0.049 20 30 ECEDLO N#Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cc[nH+]c2)C3)c[nH]1 ZINC000997883939 743869490 /nfs/dbraw/zinc/86/94/90/743869490.db2.gz XHJBFLHMUCYNJC-ILXRZTDVSA-N 1 2 338.371 0.645 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000976728512 744251319 /nfs/dbraw/zinc/25/13/19/744251319.db2.gz OMEABEDNGFMJFJ-GGAZOKNXSA-N 1 2 327.388 0.178 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)c1 ZINC000999359926 744652309 /nfs/dbraw/zinc/65/23/09/744652309.db2.gz YQQFKAWHUAKJKO-HNNXBMFYSA-N 1 2 349.394 0.847 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000977158362 744726517 /nfs/dbraw/zinc/72/65/17/744726517.db2.gz CHEBHBQLRFAOAY-ZXPJVPCYSA-N 1 2 327.388 0.562 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2C[N@@H+](CC(=O)N3CCC3)CC2(C)C)nn1 ZINC000977249312 744806980 /nfs/dbraw/zinc/80/69/80/744806980.db2.gz GPYWANZCTLFCQJ-AWEZNQCLSA-N 1 2 346.435 0.137 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2C[N@H+](CC(=O)N3CCC3)CC2(C)C)nn1 ZINC000977249312 744806983 /nfs/dbraw/zinc/80/69/83/744806983.db2.gz GPYWANZCTLFCQJ-AWEZNQCLSA-N 1 2 346.435 0.137 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3cnon3)C(C)(C)C2)C1=O ZINC000977376228 744902496 /nfs/dbraw/zinc/90/24/96/744902496.db2.gz AJAQUPPGNGSRBS-OLZOCXBDSA-N 1 2 333.392 0.297 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3cnon3)C(C)(C)C2)C1=O ZINC000977376228 744902498 /nfs/dbraw/zinc/90/24/98/744902498.db2.gz AJAQUPPGNGSRBS-OLZOCXBDSA-N 1 2 333.392 0.297 20 30 ECEDLO N#CCSCC(=O)N1CC[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001059197281 745112500 /nfs/dbraw/zinc/11/25/00/745112500.db2.gz AQFARBPEOOIJPV-AWEZNQCLSA-N 1 2 349.460 0.885 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](NC(=O)Cc2cccnc2)[C@@H](O)C1 ZINC001083407813 745115584 /nfs/dbraw/zinc/11/55/84/745115584.db2.gz FYPOOPDXPHRBNW-MSOLQXFVSA-N 1 2 336.395 0.857 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)Cc2cccnc2)[C@@H](O)C1 ZINC001083407813 745115587 /nfs/dbraw/zinc/11/55/87/745115587.db2.gz FYPOOPDXPHRBNW-MSOLQXFVSA-N 1 2 336.395 0.857 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC(=O)NC3CC3)CC2(C)C)nc1 ZINC000977511166 745129564 /nfs/dbraw/zinc/12/95/64/745129564.db2.gz IONOMKOICLIAOI-MRXNPFEDSA-N 1 2 340.427 0.782 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC(=O)NC3CC3)CC2(C)C)nc1 ZINC000977511166 745129567 /nfs/dbraw/zinc/12/95/67/745129567.db2.gz IONOMKOICLIAOI-MRXNPFEDSA-N 1 2 340.427 0.782 20 30 ECEDLO CN(C[C@@H]1CCN1C(=O)CCc1[nH]cc[nH+]1)C(=O)c1cc(C#N)c[nH]1 ZINC000977514054 745134167 /nfs/dbraw/zinc/13/41/67/745134167.db2.gz AOEUOKNELFCNBC-ZDUSSCGKSA-N 1 2 340.387 0.915 20 30 ECEDLO N#CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)nn2)C1 ZINC000999998368 745159212 /nfs/dbraw/zinc/15/92/12/745159212.db2.gz RIQJVORXMCOYPY-BFHYXJOUSA-N 1 2 340.391 0.191 20 30 ECEDLO N#CCN1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)nn2)C1 ZINC000999998368 745159215 /nfs/dbraw/zinc/15/92/15/745159215.db2.gz RIQJVORXMCOYPY-BFHYXJOUSA-N 1 2 340.391 0.191 20 30 ECEDLO C[C@H](CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)Nc1ccnc(C#N)n1 ZINC001098267338 745232545 /nfs/dbraw/zinc/23/25/45/745232545.db2.gz BUHVTENRBCHWPK-GHMZBOCLSA-N 1 2 325.376 0.530 20 30 ECEDLO CN(C[C@@H]1CCN1C(=O)Cc1c[nH+]cn1C)C(=O)c1c[nH]c(C#N)c1 ZINC000977584058 745243164 /nfs/dbraw/zinc/24/31/64/745243164.db2.gz JQNOHEYFZIFMBV-AWEZNQCLSA-N 1 2 340.387 0.535 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C(C)C)[C@H](OC)C1 ZINC001211860012 745291208 /nfs/dbraw/zinc/29/12/08/745291208.db2.gz UMKIBJYXUSVNCK-HUUCEWRRSA-N 1 2 325.453 0.882 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)C(C)C)[C@H](OC)C1 ZINC001211860012 745291213 /nfs/dbraw/zinc/29/12/13/745291213.db2.gz UMKIBJYXUSVNCK-HUUCEWRRSA-N 1 2 325.453 0.882 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]c[nH]2)c1 ZINC001000176459 745313456 /nfs/dbraw/zinc/31/34/56/745313456.db2.gz AFADLOAWCUNIRZ-IKGGRYGDSA-N 1 2 349.394 0.890 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001059334385 745985372 /nfs/dbraw/zinc/98/53/72/745985372.db2.gz DTRIOCBDCIYMOD-AWEZNQCLSA-N 1 2 334.420 0.900 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CCN1CC#N ZINC001087672726 746169864 /nfs/dbraw/zinc/16/98/64/746169864.db2.gz GRVBHBOMKISWQH-BBWFWOEESA-N 1 2 334.464 0.980 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CCN1CC#N ZINC001087672726 746169868 /nfs/dbraw/zinc/16/98/68/746169868.db2.gz GRVBHBOMKISWQH-BBWFWOEESA-N 1 2 334.464 0.980 20 30 ECEDLO Cn1nnnc1C[NH+]1CCC(CNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001001287114 746247420 /nfs/dbraw/zinc/24/74/20/746247420.db2.gz XNHYNZAZJXIPJP-UHFFFAOYSA-N 1 2 328.380 0.052 20 30 ECEDLO C[C@@H](c1nnnn1C)[NH+]1CCC(CNC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001001321446 746277273 /nfs/dbraw/zinc/27/72/73/746277273.db2.gz SRUHIBYZYMBDHZ-NSHDSACASA-N 1 2 342.407 0.613 20 30 ECEDLO C[C@H](c1nnnn1C)[NH+]1CCC(CNC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001001321445 746277298 /nfs/dbraw/zinc/27/72/98/746277298.db2.gz SRUHIBYZYMBDHZ-LLVKDONJSA-N 1 2 342.407 0.613 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000978430338 746314282 /nfs/dbraw/zinc/31/42/82/746314282.db2.gz HSADITPHZYGWOT-MCIONIFRSA-N 1 2 332.404 0.603 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000978695900 746591382 /nfs/dbraw/zinc/59/13/82/746591382.db2.gz IXCVTCXSUIZKOU-BJHJDKERSA-N 1 2 340.387 0.487 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC000978699790 746595341 /nfs/dbraw/zinc/59/53/41/746595341.db2.gz ZTDACWBBSWNKBJ-KLPPZKSPSA-N 1 2 326.360 0.477 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3nnc(C)[nH]3)C[C@H]21 ZINC000978733070 746646743 /nfs/dbraw/zinc/64/67/43/746646743.db2.gz PZTZCNXXYOKUJK-ZSAUSMIDSA-N 1 2 331.420 0.498 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nnc(C)[nH]3)C[C@H]21 ZINC000978733070 746646745 /nfs/dbraw/zinc/64/67/45/746646745.db2.gz PZTZCNXXYOKUJK-ZSAUSMIDSA-N 1 2 331.420 0.498 20 30 ECEDLO C=CCn1cc(C(=O)NCC2CC[NH+](Cc3nnc(C)[nH]3)CC2)nn1 ZINC001001918234 746806447 /nfs/dbraw/zinc/80/64/47/746806447.db2.gz FGXGLMGNHRRTPP-UHFFFAOYSA-N 1 2 344.423 0.533 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nnc(C)[nH]4)C[C@H]32)cn1 ZINC000978984703 747019794 /nfs/dbraw/zinc/01/97/94/747019794.db2.gz AJWWZEBBYTXEMP-PHZGNYQRSA-N 1 2 336.399 0.597 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nnc(C)[nH]4)C[C@H]32)cn1 ZINC000978984703 747019808 /nfs/dbraw/zinc/01/98/08/747019808.db2.gz AJWWZEBBYTXEMP-PHZGNYQRSA-N 1 2 336.399 0.597 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]c[nH]2)c[nH]1 ZINC001002143896 747023673 /nfs/dbraw/zinc/02/36/73/747023673.db2.gz ZIOAFCDQYQDLMS-KFWWJZLASA-N 1 2 338.371 0.714 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000979278501 747502871 /nfs/dbraw/zinc/50/28/71/747502871.db2.gz SJXJDFBSRACWAB-OTVXOJSOSA-N 1 2 337.383 0.653 20 30 ECEDLO N#Cc1cc(C(=O)N2CC[C@@H](CCNC(=O)Cc3[nH]cc[nH+]3)C2)c[nH]1 ZINC001059505605 747577392 /nfs/dbraw/zinc/57/73/92/747577392.db2.gz SCQGXAFPUIGHKE-GFCCVEGCSA-N 1 2 340.387 0.821 20 30 ECEDLO COCc1noc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000988500480 752215182 /nfs/dbraw/zinc/21/51/82/752215182.db2.gz KCTRSAINDJWJLG-PWSUYJOCSA-N 1 2 344.375 0.809 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)c2cnn(C)c2CC)C1=O ZINC001038461248 747940930 /nfs/dbraw/zinc/94/09/30/747940930.db2.gz YMYWEEURGOEZBF-BBRMVZONSA-N 1 2 345.447 0.574 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)c2cnn(C)c2CC)C1=O ZINC001038461248 747940935 /nfs/dbraw/zinc/94/09/35/747940935.db2.gz YMYWEEURGOEZBF-BBRMVZONSA-N 1 2 345.447 0.574 20 30 ECEDLO Cn1nnnc1C[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001029690004 748077035 /nfs/dbraw/zinc/07/70/35/748077035.db2.gz DBRAJCNGCWTMJP-NSHDSACASA-N 1 2 328.380 0.004 20 30 ECEDLO Cn1nnnc1C[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001029690004 748077038 /nfs/dbraw/zinc/07/70/38/748077038.db2.gz DBRAJCNGCWTMJP-NSHDSACASA-N 1 2 328.380 0.004 20 30 ECEDLO Cc1nc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)co1 ZINC001083424883 748449820 /nfs/dbraw/zinc/44/98/20/748449820.db2.gz NVNIJMVPEALYFQ-ZBFHGGJFSA-N 1 2 326.356 0.830 20 30 ECEDLO Cc1nc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)co1 ZINC001083424883 748449824 /nfs/dbraw/zinc/44/98/24/748449824.db2.gz NVNIJMVPEALYFQ-ZBFHGGJFSA-N 1 2 326.356 0.830 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3ccc(C)nn3)C2)C1=O ZINC001007315031 752282955 /nfs/dbraw/zinc/28/29/55/752282955.db2.gz JKNVZIWDWCGKFE-HOCLYGCPSA-N 1 2 343.431 0.766 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3ccc(C)nn3)C2)C1=O ZINC001007315031 752282956 /nfs/dbraw/zinc/28/29/56/752282956.db2.gz JKNVZIWDWCGKFE-HOCLYGCPSA-N 1 2 343.431 0.766 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2CN(C(=O)CCc3[nH]cc[nH+]3)C2)cn1 ZINC001003468721 748586041 /nfs/dbraw/zinc/58/60/41/748586041.db2.gz UTNYUXJCYCSNQT-UHFFFAOYSA-N 1 2 337.383 0.607 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)nc1 ZINC000980080258 748949070 /nfs/dbraw/zinc/94/90/70/748949070.db2.gz DGVJHDDDUOWVPH-HDJSIYSDSA-N 1 2 337.383 0.653 20 30 ECEDLO C=CCOCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001051332490 761904168 /nfs/dbraw/zinc/90/41/68/761904168.db2.gz PMNXWGAMSXBZNO-GJZGRUSLSA-N 1 2 348.447 0.909 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3nnc(C)[nH]3)C2)nn1 ZINC001029859991 748959248 /nfs/dbraw/zinc/95/92/48/748959248.db2.gz KOLGQTQBJHGECV-CYBMUJFWSA-N 1 2 344.423 0.485 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H](C[N@H+](C)Cc3nnc(C)[nH]3)C2)nn1 ZINC001029859991 748959252 /nfs/dbraw/zinc/95/92/52/748959252.db2.gz KOLGQTQBJHGECV-CYBMUJFWSA-N 1 2 344.423 0.485 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC([N@@H+](C)Cc3ncnn3C)CC2)nc1 ZINC000985760431 749031240 /nfs/dbraw/zinc/03/12/40/749031240.db2.gz SUGGGYYKMXDXDB-UHFFFAOYSA-N 1 2 338.415 0.928 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC([N@H+](C)Cc3ncnn3C)CC2)nc1 ZINC000985760431 749031242 /nfs/dbraw/zinc/03/12/42/749031242.db2.gz SUGGGYYKMXDXDB-UHFFFAOYSA-N 1 2 338.415 0.928 20 30 ECEDLO C=CC[NH2+][C@H]1CCCCCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001088400570 749039576 /nfs/dbraw/zinc/03/95/76/749039576.db2.gz SNZMWFUACRBCOW-ZDUSSCGKSA-N 1 2 344.419 0.618 20 30 ECEDLO C[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1)N1C(=O)CCC1=O ZINC001004444962 749506755 /nfs/dbraw/zinc/50/67/55/749506755.db2.gz CODSTRULPNFTSN-HIFRSBDPSA-N 1 2 346.431 0.750 20 30 ECEDLO C[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1)N1C(=O)CCC1=O ZINC001004444962 749506758 /nfs/dbraw/zinc/50/67/58/749506758.db2.gz CODSTRULPNFTSN-HIFRSBDPSA-N 1 2 346.431 0.750 20 30 ECEDLO CCN1CCOC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004475932 749545746 /nfs/dbraw/zinc/54/57/46/749545746.db2.gz AJGFJCPDQCPJRS-IRXDYDNUSA-N 1 2 334.464 0.934 20 30 ECEDLO CCN1CCOC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004475932 749545750 /nfs/dbraw/zinc/54/57/50/749545750.db2.gz AJGFJCPDQCPJRS-IRXDYDNUSA-N 1 2 334.464 0.934 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CN(C(=O)C#CC2CC2)C1 ZINC001004518000 749588687 /nfs/dbraw/zinc/58/86/87/749588687.db2.gz DXICQMOYRXPEHD-HUUCEWRRSA-N 1 2 326.400 0.512 20 30 ECEDLO C[C@H]1[C@@H]([NH2+]Cc2nc(N(C)C)no2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000986176736 749634039 /nfs/dbraw/zinc/63/40/39/749634039.db2.gz PLINBWAGGLYFPH-GWCFXTLKSA-N 1 2 343.391 0.728 20 30 ECEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCn2cnccc2=O)CC1 ZINC001004592075 749663439 /nfs/dbraw/zinc/66/34/39/749663439.db2.gz KTHSEVXZARONPE-MRXNPFEDSA-N 1 2 343.431 0.860 20 30 ECEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCn2cnccc2=O)CC1 ZINC001004592075 749663441 /nfs/dbraw/zinc/66/34/41/749663441.db2.gz KTHSEVXZARONPE-MRXNPFEDSA-N 1 2 343.431 0.860 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001149137330 749868409 /nfs/dbraw/zinc/86/84/09/749868409.db2.gz OBIDNVRLIYTUFF-CVEARBPZSA-N 1 2 333.432 0.299 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001149137330 749868413 /nfs/dbraw/zinc/86/84/13/749868413.db2.gz OBIDNVRLIYTUFF-CVEARBPZSA-N 1 2 333.432 0.299 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C1 ZINC000986597039 750166853 /nfs/dbraw/zinc/16/68/53/750166853.db2.gz GOMIKUQFOHLGPB-MCIONIFRSA-N 1 2 329.404 0.809 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C1 ZINC000986597039 750166857 /nfs/dbraw/zinc/16/68/57/750166857.db2.gz GOMIKUQFOHLGPB-MCIONIFRSA-N 1 2 329.404 0.809 20 30 ECEDLO CC[C@]1(C)C[C@H]1C(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105351820 750465671 /nfs/dbraw/zinc/46/56/71/750465671.db2.gz KJBRRYDHYCVPQF-FUHWJXTLSA-N 1 2 345.447 0.837 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)c3oncc3C)C2)nn1 ZINC001105356525 750560873 /nfs/dbraw/zinc/56/08/73/750560873.db2.gz XXGDLLGMFGQDGQ-UHFFFAOYSA-N 1 2 344.375 0.011 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC([C@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001005864960 750744115 /nfs/dbraw/zinc/74/41/15/750744115.db2.gz ZKNQUJWOAFLINW-JTQLQIEISA-N 1 2 340.387 0.737 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC001098513803 750938360 /nfs/dbraw/zinc/93/83/60/750938360.db2.gz VEMQEZIKIJOQQS-LBPRGKRZSA-N 1 2 330.392 0.826 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)Cc1c[nH+]cn1C ZINC000987532713 750946708 /nfs/dbraw/zinc/94/67/08/750946708.db2.gz NALCKIZNPCEWSQ-RISCZKNCSA-N 1 2 340.387 0.582 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000987647048 751051836 /nfs/dbraw/zinc/05/18/36/751051836.db2.gz MAUCAGLSHHLIQB-YGRLFVJLSA-N 1 2 326.360 0.571 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)Cc2ccn[nH]2)C1 ZINC001006322072 751244018 /nfs/dbraw/zinc/24/40/18/751244018.db2.gz ULILINUIECSNMO-CJNGLKHVSA-N 1 2 343.431 0.013 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)Cc2ccn[nH]2)C1 ZINC001006322072 751244025 /nfs/dbraw/zinc/24/40/25/751244025.db2.gz ULILINUIECSNMO-CJNGLKHVSA-N 1 2 343.431 0.013 20 30 ECEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)Cn3ncnn3)C2)ccc1F ZINC001007337702 752303615 /nfs/dbraw/zinc/30/36/15/752303615.db2.gz KFPGNECBCOMXSZ-AWEZNQCLSA-N 1 2 343.366 0.465 20 30 ECEDLO N#Cc1cc(C[N@H+]2CCC[C@H](NC(=O)Cn3ncnn3)C2)ccc1F ZINC001007337702 752303623 /nfs/dbraw/zinc/30/36/23/752303623.db2.gz KFPGNECBCOMXSZ-AWEZNQCLSA-N 1 2 343.366 0.465 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1OC ZINC001211992736 752308066 /nfs/dbraw/zinc/30/80/66/752308066.db2.gz VMWVCNRVIMFBGF-NUEKZKHPSA-N 1 2 336.436 0.717 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1OC ZINC001211992736 752308071 /nfs/dbraw/zinc/30/80/71/752308071.db2.gz VMWVCNRVIMFBGF-NUEKZKHPSA-N 1 2 336.436 0.717 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2CCCCCC2)[C@H](OC)C1 ZINC001211997559 752339830 /nfs/dbraw/zinc/33/98/30/752339830.db2.gz ZFGBMFDUBCGKDA-USXIJHARSA-N 1 2 349.475 0.910 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2CCCCCC2)[C@H](OC)C1 ZINC001211997559 752339838 /nfs/dbraw/zinc/33/98/38/752339838.db2.gz ZFGBMFDUBCGKDA-USXIJHARSA-N 1 2 349.475 0.910 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCCC)C[C@H]1OC ZINC001212036407 752425507 /nfs/dbraw/zinc/42/55/07/752425507.db2.gz UCLLKHWKKHUWAT-RBSFLKMASA-N 1 2 341.452 0.309 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCCCC)C[C@H]1OC ZINC001212036407 752425508 /nfs/dbraw/zinc/42/55/08/752425508.db2.gz UCLLKHWKKHUWAT-RBSFLKMASA-N 1 2 341.452 0.309 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001212036111 752425798 /nfs/dbraw/zinc/42/57/98/752425798.db2.gz JNHPWPREXBVXEP-RRFJBIMHSA-N 1 2 341.452 0.165 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001212036111 752425802 /nfs/dbraw/zinc/42/58/02/752425802.db2.gz JNHPWPREXBVXEP-RRFJBIMHSA-N 1 2 341.452 0.165 20 30 ECEDLO CO[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212045228 752438793 /nfs/dbraw/zinc/43/87/93/752438793.db2.gz JXEADNHCIFFKAR-XNRPHZJLSA-N 1 2 345.399 0.933 20 30 ECEDLO CO[C@@H]1C[N@@H+](Cc2cccc3c2OCCO3)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212045228 752438797 /nfs/dbraw/zinc/43/87/97/752438797.db2.gz JXEADNHCIFFKAR-XNRPHZJLSA-N 1 2 345.399 0.933 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)/C=C\C(C)(C)C)[C@H](OC)C1 ZINC001212051101 752443739 /nfs/dbraw/zinc/44/37/39/752443739.db2.gz RSTLWBKIMAQIGJ-RQESLGEYSA-N 1 2 335.448 0.542 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)/C=C\C(C)(C)C)[C@H](OC)C1 ZINC001212051101 752443741 /nfs/dbraw/zinc/44/37/41/752443741.db2.gz RSTLWBKIMAQIGJ-RQESLGEYSA-N 1 2 335.448 0.542 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC(n2cc(C[NH2+]CC#CC)nn2)C1 ZINC001105366362 752462970 /nfs/dbraw/zinc/46/29/70/752462970.db2.gz KUJTWWQVHSJDSX-UHFFFAOYSA-N 1 2 347.422 0.998 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)COC)[C@H](OC)C1 ZINC001211752869 752493505 /nfs/dbraw/zinc/49/35/05/752493505.db2.gz ZSRLOWPNUWDFKW-RBSFLKMASA-N 1 2 341.452 0.261 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)COC)[C@H](OC)C1 ZINC001211752869 752493509 /nfs/dbraw/zinc/49/35/09/752493509.db2.gz ZSRLOWPNUWDFKW-RBSFLKMASA-N 1 2 341.452 0.261 20 30 ECEDLO C[C@@H]1C[C@H]([NH2+]Cc2nc(N(C)C)no2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC000988656428 752494440 /nfs/dbraw/zinc/49/44/40/752494440.db2.gz RHHBWHCYNAQGLR-PWSUYJOCSA-N 1 2 343.391 0.728 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)COCCCC)[C@H](OC)C1 ZINC001212075811 752658627 /nfs/dbraw/zinc/65/86/27/752658627.db2.gz BKIJUDCXQKJARI-RBSFLKMASA-N 1 2 341.452 0.309 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)COCCCC)[C@H](OC)C1 ZINC001212075811 752658631 /nfs/dbraw/zinc/65/86/31/752658631.db2.gz BKIJUDCXQKJARI-RBSFLKMASA-N 1 2 341.452 0.309 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCCOCC=C)[C@H](OC)C1 ZINC001212092465 752713426 /nfs/dbraw/zinc/71/34/26/752713426.db2.gz BKMODDBYRGFDLZ-HUUCEWRRSA-N 1 2 339.436 0.087 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCCOCC=C)[C@H](OC)C1 ZINC001212092465 752713435 /nfs/dbraw/zinc/71/34/35/752713435.db2.gz BKMODDBYRGFDLZ-HUUCEWRRSA-N 1 2 339.436 0.087 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001021294208 752756475 /nfs/dbraw/zinc/75/64/75/752756475.db2.gz SPNLJXINLRTPIQ-ARFHVFGLSA-N 1 2 349.475 0.979 20 30 ECEDLO 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N#Cc1nccnc1N[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001058995687 752808194 /nfs/dbraw/zinc/80/81/94/752808194.db2.gz RWDRTAQUDWRHSJ-OLZOCXBDSA-N 1 2 337.387 0.820 20 30 ECEDLO N#Cc1nccnc1N[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001058995688 752808458 /nfs/dbraw/zinc/80/84/58/752808458.db2.gz RWDRTAQUDWRHSJ-STQMWFEESA-N 1 2 337.387 0.820 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001007705987 752830064 /nfs/dbraw/zinc/83/00/64/752830064.db2.gz MIBPBXSPWITYOW-SFHVURJKSA-N 1 2 346.431 0.994 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnn(CC(C)C)c2CC)[C@@H](O)C1 ZINC001083457069 752850525 /nfs/dbraw/zinc/85/05/25/752850525.db2.gz AIWATFBNRPLZLM-WBVHZDCISA-N 1 2 332.448 0.900 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC(C)C)c2CC)[C@@H](O)C1 ZINC001083457069 752850532 /nfs/dbraw/zinc/85/05/32/752850532.db2.gz AIWATFBNRPLZLM-WBVHZDCISA-N 1 2 332.448 0.900 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)C#N)C2)C1 ZINC001007714715 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CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001105494009 753738590 /nfs/dbraw/zinc/73/85/90/753738590.db2.gz RAHWXVACMWCWSN-ZDUSSCGKSA-N 1 2 339.403 0.702 20 30 ECEDLO CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001105564497 753826070 /nfs/dbraw/zinc/82/60/70/753826070.db2.gz FFCIBLDVIFYMKP-ZIAGYGMSSA-N 1 2 339.403 0.780 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCN(C)c1ccnc(C#N)n1 ZINC001105577203 753851687 /nfs/dbraw/zinc/85/16/87/753851687.db2.gz MTGIHTQQCMECOJ-LBPRGKRZSA-N 1 2 327.392 0.845 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCN(C)c1ccnc(C#N)n1 ZINC001105577203 753851694 /nfs/dbraw/zinc/85/16/94/753851694.db2.gz MTGIHTQQCMECOJ-LBPRGKRZSA-N 1 2 327.392 0.845 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cnnn2CC)C1 ZINC001008557642 753912797 /nfs/dbraw/zinc/91/27/97/753912797.db2.gz FYYHVDITRLUIIZ-IMJJTQAJSA-N 1 2 333.436 0.970 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cnnn2CC)C1 ZINC001008557642 753912801 /nfs/dbraw/zinc/91/28/01/753912801.db2.gz FYYHVDITRLUIIZ-IMJJTQAJSA-N 1 2 333.436 0.970 20 30 ECEDLO C=CCOc1cccnc1C(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC000989446612 753935906 /nfs/dbraw/zinc/93/59/06/753935906.db2.gz VTHQFCRVCVYBJD-ZDUSSCGKSA-N 1 2 332.404 0.668 20 30 ECEDLO C=CCOc1cccnc1C(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC000989446612 753935909 /nfs/dbraw/zinc/93/59/09/753935909.db2.gz VTHQFCRVCVYBJD-ZDUSSCGKSA-N 1 2 332.404 0.668 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001008621567 753966282 /nfs/dbraw/zinc/96/62/82/753966282.db2.gz UCJRHYOCUUEBKS-QLFBSQMISA-N 1 2 346.431 0.827 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001008656951 753998380 /nfs/dbraw/zinc/99/83/80/753998380.db2.gz HSSULSIUEFYRTD-ILXRZTDVSA-N 1 2 346.431 0.897 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CCC[N@@H+]([C@@H](C)C(=O)NC)C2)nn1 ZINC001008824095 754162280 /nfs/dbraw/zinc/16/22/80/754162280.db2.gz KEJPYMAXXASTPB-STQMWFEESA-N 1 2 334.424 0.183 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)C(=O)NC)C2)nn1 ZINC001008824095 754162283 /nfs/dbraw/zinc/16/22/83/754162283.db2.gz KEJPYMAXXASTPB-STQMWFEESA-N 1 2 334.424 0.183 20 30 ECEDLO Cc1noc([C@@H](C)[NH2+]C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)n1 ZINC001051529315 762279132 /nfs/dbraw/zinc/27/91/32/762279132.db2.gz ZGJHLWDGONZOLI-MFKMUULPSA-N 1 2 344.375 0.770 20 30 ECEDLO C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001060001764 754555379 /nfs/dbraw/zinc/55/53/79/754555379.db2.gz FYKXKRHUVPOMIB-OAHLLOKOSA-N 1 2 334.420 0.831 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001009126994 754558182 /nfs/dbraw/zinc/55/81/82/754558182.db2.gz WSOXHUMSTGAMML-KGLIPLIRSA-N 1 2 344.415 0.729 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001009126994 754558188 /nfs/dbraw/zinc/55/81/88/754558188.db2.gz WSOXHUMSTGAMML-KGLIPLIRSA-N 1 2 344.415 0.729 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](Nc2cnc(C#N)cn2)C1 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C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2nnnn2C)C1 ZINC001028862495 755330435 /nfs/dbraw/zinc/33/04/35/755330435.db2.gz STSCNGPCMMOUKC-YDHLFZDLSA-N 1 2 334.424 0.129 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2nnnn2C)C1 ZINC001028862495 755330439 /nfs/dbraw/zinc/33/04/39/755330439.db2.gz STSCNGPCMMOUKC-YDHLFZDLSA-N 1 2 334.424 0.129 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3c(C)noc3C)C2)C1=O ZINC001010128188 755690202 /nfs/dbraw/zinc/69/02/02/755690202.db2.gz AWHITIBIMQXRFW-ZIAGYGMSSA-N 1 2 332.404 0.882 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3c(C)noc3C)C2)C1=O ZINC001010128188 755690205 /nfs/dbraw/zinc/69/02/05/755690205.db2.gz AWHITIBIMQXRFW-ZIAGYGMSSA-N 1 2 332.404 0.882 20 30 ECEDLO C=CCOCC(=O)N(C)C1CC(Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001126866335 755740893 /nfs/dbraw/zinc/74/08/93/755740893.db2.gz DNXVRNMGLPIXHE-UHFFFAOYSA-N 1 2 334.424 0.850 20 30 ECEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1COCCO1 ZINC001010259406 755897571 /nfs/dbraw/zinc/89/75/71/755897571.db2.gz VDNZSDSAGSVOTF-IAGOWNOFSA-N 1 2 332.375 0.783 20 30 ECEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1COCCO1 ZINC001010259406 755897576 /nfs/dbraw/zinc/89/75/76/755897576.db2.gz VDNZSDSAGSVOTF-IAGOWNOFSA-N 1 2 332.375 0.783 20 30 ECEDLO CCCN(CCNC(=O)CSCC#N)c1[nH+]cnc2c1cnn2C ZINC001101084880 755909617 /nfs/dbraw/zinc/90/96/17/755909617.db2.gz RMKZEBCEGHJKFO-UHFFFAOYSA-N 1 2 347.448 0.953 20 30 ECEDLO N#Cc1nccnc1NC[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060093361 756007932 /nfs/dbraw/zinc/00/79/32/756007932.db2.gz DQYKQTKUVIOCBO-GFCCVEGCSA-N 1 2 325.376 0.965 20 30 ECEDLO N#Cc1nccc(NC[C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)n1 ZINC001060101193 756129856 /nfs/dbraw/zinc/12/98/56/756129856.db2.gz SHGRMZMFNQMVES-CYBMUJFWSA-N 1 2 339.403 0.777 20 30 ECEDLO N#Cc1nccc(NC[C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)n1 ZINC001060101193 756129862 /nfs/dbraw/zinc/12/98/62/756129862.db2.gz SHGRMZMFNQMVES-CYBMUJFWSA-N 1 2 339.403 0.777 20 30 ECEDLO C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001010456850 756150939 /nfs/dbraw/zinc/15/09/39/756150939.db2.gz JARXTAAVVPXOSC-HIFRSBDPSA-N 1 2 343.431 0.949 20 30 ECEDLO C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001010456850 756150944 /nfs/dbraw/zinc/15/09/44/756150944.db2.gz JARXTAAVVPXOSC-HIFRSBDPSA-N 1 2 343.431 0.949 20 30 ECEDLO O=C(C#CC1CC1)N1CCO[C@@H](C[NH2+]Cc2nc(CC3CC3)no2)C1 ZINC001051609574 762459313 /nfs/dbraw/zinc/45/93/13/762459313.db2.gz WRPQOSROENPWJM-HNNXBMFYSA-N 1 2 344.415 0.753 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCCN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001010829804 756577228 /nfs/dbraw/zinc/57/72/28/756577228.db2.gz JSNJGHRMIMSFPI-AWEZNQCLSA-N 1 2 343.431 0.963 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001076509298 756583932 /nfs/dbraw/zinc/58/39/32/756583932.db2.gz UAJXYQPJKOKFEI-UONOGXRCSA-N 1 2 334.420 0.402 20 30 ECEDLO C#CCOCCC(=O)NCC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001076506069 756590283 /nfs/dbraw/zinc/59/02/83/756590283.db2.gz KPOMFGHUJRCNCE-GJZGRUSLSA-N 1 2 334.420 0.885 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@H](n2cc(C[NH2+]CC#CC)nn2)C1 ZINC001098663903 756641735 /nfs/dbraw/zinc/64/17/35/756641735.db2.gz KYNOWXSCCGGECC-DOTOQJQBSA-N 1 2 331.420 0.492 20 30 ECEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)CCCn2cc[nH+]c2)cn1 ZINC001105893782 762489854 /nfs/dbraw/zinc/48/98/54/762489854.db2.gz HEJKFGIXXZDKDJ-OAHLLOKOSA-N 1 2 328.376 0.519 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3CCC(O)CC3)C2)nn1 ZINC001098665069 756755833 /nfs/dbraw/zinc/75/58/33/756755833.db2.gz SZYUTNFFDFZXBJ-OGVSOVDVSA-N 1 2 331.420 0.325 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001011028503 756790925 /nfs/dbraw/zinc/79/09/25/756790925.db2.gz BCMRKSJVFVRWGY-LBPRGKRZSA-N 1 2 340.387 0.773 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001011028503 756790926 /nfs/dbraw/zinc/79/09/26/756790926.db2.gz BCMRKSJVFVRWGY-LBPRGKRZSA-N 1 2 340.387 0.773 20 30 ECEDLO CC(F)(F)C(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001076676916 756822287 /nfs/dbraw/zinc/82/22/87/756822287.db2.gz BMZRLPZEXZZHNX-ZIAGYGMSSA-N 1 2 339.342 0.905 20 30 ECEDLO CC(F)(F)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001076676916 756822292 /nfs/dbraw/zinc/82/22/92/756822292.db2.gz BMZRLPZEXZZHNX-ZIAGYGMSSA-N 1 2 339.342 0.905 20 30 ECEDLO Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)CCCn2cc[nH+]c2)n1 ZINC001105894886 762496081 /nfs/dbraw/zinc/49/60/81/762496081.db2.gz WZRBJGPBFBEVDS-AWEZNQCLSA-N 1 2 343.391 0.223 20 30 ECEDLO N#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4csnn4)C[C@@H]3C2)[nH]1 ZINC001048772008 756945585 /nfs/dbraw/zinc/94/55/85/756945585.db2.gz SDVRBMOKMPFKRP-PHIMTYICSA-N 1 2 328.401 0.942 20 30 ECEDLO N#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4csnn4)C[C@@H]3C2)[nH]1 ZINC001048772008 756945587 /nfs/dbraw/zinc/94/55/87/756945587.db2.gz SDVRBMOKMPFKRP-PHIMTYICSA-N 1 2 328.401 0.942 20 30 ECEDLO CC1(C)CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C[C@@H]1NCC#N ZINC000996094064 756946725 /nfs/dbraw/zinc/94/67/25/756946725.db2.gz XAPDOACQUIISRM-CVEARBPZSA-N 1 2 334.464 0.837 20 30 ECEDLO CC1(C)CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C[C@@H]1NCC#N ZINC000996094064 756946728 /nfs/dbraw/zinc/94/67/28/756946728.db2.gz XAPDOACQUIISRM-CVEARBPZSA-N 1 2 334.464 0.837 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccon3)C2)cc1C#N ZINC001076772044 757046809 /nfs/dbraw/zinc/04/68/09/757046809.db2.gz MMOHKBNDDAFVNT-HUUCEWRRSA-N 1 2 342.355 0.530 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccon3)C2)cc1C#N ZINC001076772044 757046821 /nfs/dbraw/zinc/04/68/21/757046821.db2.gz MMOHKBNDDAFVNT-HUUCEWRRSA-N 1 2 342.355 0.530 20 30 ECEDLO CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@@H]1O ZINC001048813913 757079462 /nfs/dbraw/zinc/07/94/62/757079462.db2.gz QEEPWZUFEGURAL-JYJNAYRXSA-N 1 2 346.431 0.524 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC/C=C/CNc1ncnc2c1C[N@H+](C)CC2 ZINC001107148562 757082750 /nfs/dbraw/zinc/08/27/50/757082750.db2.gz MCTRKDGMWJGDSB-DUMMIQTOSA-N 1 2 345.447 0.876 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC/C=C/CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001107148562 757082756 /nfs/dbraw/zinc/08/27/56/757082756.db2.gz MCTRKDGMWJGDSB-DUMMIQTOSA-N 1 2 345.447 0.876 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)Cc3cc(C)[nH]n3)nn2)C1 ZINC001107159444 757132862 /nfs/dbraw/zinc/13/28/62/757132862.db2.gz PIZJPBMMPLCLKX-UHFFFAOYSA-N 1 2 329.408 0.601 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)Cc3cc(C)n[nH]3)nn2)C1 ZINC001107159444 757132869 /nfs/dbraw/zinc/13/28/69/757132869.db2.gz PIZJPBMMPLCLKX-UHFFFAOYSA-N 1 2 329.408 0.601 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@]3(C)CCNC(=O)C3)nn2)C1 ZINC001107181760 757315125 /nfs/dbraw/zinc/31/51/25/757315125.db2.gz HFSAYOBFPKAKRB-QGZVFWFLSA-N 1 2 346.435 0.243 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3cc(F)c[nH]3)nn2)C1 ZINC001107185341 757358961 /nfs/dbraw/zinc/35/89/61/757358961.db2.gz QVZHLEAOFZJVAV-UHFFFAOYSA-N 1 2 348.382 0.735 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc[nH]c(=O)c3)C2)s1 ZINC001076872876 757404176 /nfs/dbraw/zinc/40/41/76/757404176.db2.gz WOEVIUBDTXNKFL-ZIAGYGMSSA-N 1 2 344.396 0.695 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc[nH]c(=O)c3)C2)s1 ZINC001076872876 757404180 /nfs/dbraw/zinc/40/41/80/757404180.db2.gz WOEVIUBDTXNKFL-ZIAGYGMSSA-N 1 2 344.396 0.695 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[C@@H]3CCCC(=O)N3)nn2)C1 ZINC001107184120 757415190 /nfs/dbraw/zinc/41/51/90/757415190.db2.gz DLQWHQMNKGBCOC-ZDUSSCGKSA-N 1 2 346.435 0.386 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@]3(COC)CCOC3)nn2)C1 ZINC001107189961 757429082 /nfs/dbraw/zinc/42/90/82/757429082.db2.gz JZJIQXNDDUNMAP-KRWDZBQOSA-N 1 2 349.435 0.380 20 30 ECEDLO C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1O ZINC001048937921 757465132 /nfs/dbraw/zinc/46/51/32/757465132.db2.gz YQMAMBMTCJPANJ-VDERGJSUSA-N 1 2 346.431 0.900 20 30 ECEDLO C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1O ZINC001048937921 757465135 /nfs/dbraw/zinc/46/51/35/757465135.db2.gz YQMAMBMTCJPANJ-VDERGJSUSA-N 1 2 346.431 0.900 20 30 ECEDLO CCn1ccnc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076936764 757671468 /nfs/dbraw/zinc/67/14/68/757671468.db2.gz JLFPRIIRXUAOKQ-HZPDHXFCSA-N 1 2 339.399 0.750 20 30 ECEDLO CCn1ccnc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076936764 757671473 /nfs/dbraw/zinc/67/14/73/757671473.db2.gz JLFPRIIRXUAOKQ-HZPDHXFCSA-N 1 2 339.399 0.750 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H](C)[C@@H]3CCC(=O)N3)nn2)C1 ZINC001107212138 757743934 /nfs/dbraw/zinc/74/39/34/757743934.db2.gz PJYXMIHTOADPFP-DOMZBBRYSA-N 1 2 346.435 0.242 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](CC(=C)C)NC(C)=O)nn2)C1 ZINC001107216120 757798697 /nfs/dbraw/zinc/79/86/97/757798697.db2.gz VHPCQMIOCJEVAR-INIZCTEOSA-N 1 2 346.435 0.408 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCn3cccc3)nn2)C1 ZINC001107221529 757861447 /nfs/dbraw/zinc/86/14/47/757861447.db2.gz BBAFKXGFDQTAKS-UHFFFAOYSA-N 1 2 326.404 0.666 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)Oc3ccccn3)nn2)C1 ZINC001107230518 757938556 /nfs/dbraw/zinc/93/85/56/757938556.db2.gz LMCHFRRKICOHRI-CYBMUJFWSA-N 1 2 342.403 0.800 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)c3cccnc3)nn2)C1 ZINC001107230543 757939011 /nfs/dbraw/zinc/93/90/11/757939011.db2.gz MVEJRTQIXWCTNW-AWEZNQCLSA-N 1 2 338.415 0.973 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001077019558 757951016 /nfs/dbraw/zinc/95/10/16/757951016.db2.gz YBLQYZBNYZISDO-FPCVCCKLSA-N 1 2 334.420 0.063 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001077019558 757951023 /nfs/dbraw/zinc/95/10/23/757951023.db2.gz YBLQYZBNYZISDO-FPCVCCKLSA-N 1 2 334.420 0.063 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001049110926 757985085 /nfs/dbraw/zinc/98/50/85/757985085.db2.gz AGWIYVPBARSMBW-KBPBESRZSA-N 1 2 346.431 0.377 20 30 ECEDLO C=CCO[C@H](C)C(=O)NC/C=C\CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001107235480 758022335 /nfs/dbraw/zinc/02/23/35/758022335.db2.gz IQXUXLKNWQHNLP-QDZRJHCZSA-N 1 2 334.424 0.921 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CNC(=O)[C@@H](C)CC)nn2)C1 ZINC001107235720 758023284 /nfs/dbraw/zinc/02/32/84/758023284.db2.gz JZNMEFJFLQLPRH-ZDUSSCGKSA-N 1 2 348.451 0.489 20 30 ECEDLO C=CCO[C@@H](C)C(=O)NCc1cn(C2C[NH+](CCOCC)C2)nn1 ZINC001107241126 758043015 /nfs/dbraw/zinc/04/30/15/758043015.db2.gz NMLBOZRBFZYRNW-ZDUSSCGKSA-N 1 2 337.424 0.379 20 30 ECEDLO C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001049125405 758044713 /nfs/dbraw/zinc/04/47/13/758044713.db2.gz ATLBXOSIYRTXDH-GJZGRUSLSA-N 1 2 334.420 0.660 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3C=CC=CC=C3)C2)C1=O ZINC001077075477 758100636 /nfs/dbraw/zinc/10/06/36/758100636.db2.gz MEVOEBHSLCIHQN-BRWVUGGUSA-N 1 2 343.427 0.233 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3C=CC=CC=C3)C2)C1=O ZINC001077075477 758100640 /nfs/dbraw/zinc/10/06/40/758100640.db2.gz MEVOEBHSLCIHQN-BRWVUGGUSA-N 1 2 343.427 0.233 20 30 ECEDLO C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001077116729 758230163 /nfs/dbraw/zinc/23/01/63/758230163.db2.gz XGNHAWIYFJSJDT-KBPBESRZSA-N 1 2 334.420 0.659 20 30 ECEDLO C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1O ZINC001049180659 758240679 /nfs/dbraw/zinc/24/06/79/758240679.db2.gz NOTUJPWJXDYBTM-KBPBESRZSA-N 1 2 334.420 0.585 20 30 ECEDLO C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1O ZINC001049180659 758240683 /nfs/dbraw/zinc/24/06/83/758240683.db2.gz NOTUJPWJXDYBTM-KBPBESRZSA-N 1 2 334.420 0.585 20 30 ECEDLO C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nnnn1C)CC2 ZINC001107330948 758271910 /nfs/dbraw/zinc/27/19/10/758271910.db2.gz UUSNZAUORUIVFM-CZUORRHYSA-N 1 2 334.424 0.274 20 30 ECEDLO C=CCOCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nnnn1C)CC2 ZINC001107330948 758271918 /nfs/dbraw/zinc/27/19/18/758271918.db2.gz UUSNZAUORUIVFM-CZUORRHYSA-N 1 2 334.424 0.274 20 30 ECEDLO C#CCOCCC(=O)NC/C=C/CNc1[nH+]cnc2c1cnn2C ZINC001107344650 758355591 /nfs/dbraw/zinc/35/55/91/758355591.db2.gz PRQWQLMGNOLVRO-SNAWJCMRSA-N 1 2 328.376 0.488 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H]1O ZINC001077158669 758374290 /nfs/dbraw/zinc/37/42/90/758374290.db2.gz QZEXHZIJNQBVHN-FGTMMUONSA-N 1 2 345.418 0.585 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1O ZINC001077158669 758374300 /nfs/dbraw/zinc/37/43/00/758374300.db2.gz QZEXHZIJNQBVHN-FGTMMUONSA-N 1 2 345.418 0.585 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001077185912 758447335 /nfs/dbraw/zinc/44/73/35/758447335.db2.gz WRYDSVITNJSJJU-ZNMIVQPWSA-N 1 2 334.420 0.875 20 30 ECEDLO N#Cc1cnccc1NC/C=C/CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001107394794 758452986 /nfs/dbraw/zinc/45/29/86/758452986.db2.gz POVULXZYTWCRRT-YUKKFKLSSA-N 1 2 336.399 0.919 20 30 ECEDLO N#Cc1nccnc1NC/C=C\CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001107395377 758454146 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ZINC001051086870 761464549 /nfs/dbraw/zinc/46/45/49/761464549.db2.gz NXLAOYXHYMVNFL-GDBMZVCRSA-N 1 2 332.448 0.918 20 30 ECEDLO C=CCOCC(=O)NC[C@H](O)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001105748071 761479107 /nfs/dbraw/zinc/47/91/07/761479107.db2.gz PPGAJCXRWHHSHH-ZDUSSCGKSA-N 1 2 334.420 0.755 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2COCC[N@@H+]2C[C@H]2CCCOC2)nn1 ZINC001051156563 761579342 /nfs/dbraw/zinc/57/93/42/761579342.db2.gz UFIRXRDERZAXST-HUUCEWRRSA-N 1 2 349.435 0.321 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2COCC[N@H+]2C[C@H]2CCCOC2)nn1 ZINC001051156563 761579345 /nfs/dbraw/zinc/57/93/45/761579345.db2.gz UFIRXRDERZAXST-HUUCEWRRSA-N 1 2 349.435 0.321 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC000991561904 761611392 /nfs/dbraw/zinc/61/13/92/761611392.db2.gz DRERBIKSKCAKSC-KBPBESRZSA-N 1 2 334.420 0.563 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1nc2nccc(C)n2n1 ZINC001051230260 761726201 /nfs/dbraw/zinc/72/62/01/761726201.db2.gz HIBKFZIGPYWGKC-CQSZACIVSA-N 1 2 344.419 0.830 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1nc2nccc(C)n2n1 ZINC001051230260 761726208 /nfs/dbraw/zinc/72/62/08/761726208.db2.gz HIBKFZIGPYWGKC-CQSZACIVSA-N 1 2 344.419 0.830 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nnc(C)n2C1 ZINC001051253476 761770618 /nfs/dbraw/zinc/77/06/18/761770618.db2.gz REIHEMAMGJHDDC-HUUCEWRRSA-N 1 2 333.436 0.542 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nnc(C)n2C1 ZINC001051253476 761770621 /nfs/dbraw/zinc/77/06/21/761770621.db2.gz REIHEMAMGJHDDC-HUUCEWRRSA-N 1 2 333.436 0.542 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(c3cc[nH+]c(C)n3)C[C@H]2O)cn1 ZINC001051712922 762768706 /nfs/dbraw/zinc/76/87/06/762768706.db2.gz OIGSYPRONFNIDE-HZPDHXFCSA-N 1 2 337.383 0.531 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001017528168 768087169 /nfs/dbraw/zinc/08/71/69/768087169.db2.gz BCJUKCDNEJUOMI-DZGCQCFKSA-N 1 2 341.415 0.880 20 30 ECEDLO Cc1nsc(N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](O)C2)c1C#N ZINC001051791034 762975792 /nfs/dbraw/zinc/97/57/92/762975792.db2.gz ZXRRFOMXRMWJSS-CHWSQXEVSA-N 1 2 346.416 0.345 20 30 ECEDLO C=C1CCC(C(=O)N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](O)C2)CC1 ZINC000991723634 762978065 /nfs/dbraw/zinc/97/80/65/762978065.db2.gz RAYIBNMCRDKIPK-LSDHHAIUSA-N 1 2 346.431 0.777 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[C@@H]3CCNC3=O)C2)c(F)c1 ZINC001014713869 763030640 /nfs/dbraw/zinc/03/06/40/763030640.db2.gz ZJUOGZJWFTVEOR-ZFWWWQNUSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C[C@@H]3CCNC3=O)C2)c(F)c1 ZINC001014713869 763030646 /nfs/dbraw/zinc/03/06/46/763030646.db2.gz ZJUOGZJWFTVEOR-ZFWWWQNUSA-N 1 2 344.390 0.914 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001014850434 763301949 /nfs/dbraw/zinc/30/19/49/763301949.db2.gz GJATYZGDXTWUNG-JSGCOSHPSA-N 1 2 340.387 0.892 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001014883193 763365624 /nfs/dbraw/zinc/36/56/24/763365624.db2.gz VIRJSSDHFQBMFN-SWLSCSKDSA-N 1 2 340.387 0.892 20 30 ECEDLO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001046940889 763428518 /nfs/dbraw/zinc/42/85/18/763428518.db2.gz DJROAEKXUYQYQD-LBPRGKRZSA-N 1 2 334.388 0.128 20 30 ECEDLO C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001046940889 763428524 /nfs/dbraw/zinc/42/85/24/763428524.db2.gz DJROAEKXUYQYQD-LBPRGKRZSA-N 1 2 334.388 0.128 20 30 ECEDLO C=CCN1CC[C@@H](N2CC[NH+]([C@@H]3CCN(C(=O)CC)C3)CC2)C1=O ZINC001051957313 763448650 /nfs/dbraw/zinc/44/86/50/763448650.db2.gz DYFTYJUQRYUJIK-HZPDHXFCSA-N 1 2 334.464 0.402 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN([C@@H]3CCN(C(=O)CC)C3)CC2)C1=O ZINC001051957313 763448654 /nfs/dbraw/zinc/44/86/54/763448654.db2.gz DYFTYJUQRYUJIK-HZPDHXFCSA-N 1 2 334.464 0.402 20 30 ECEDLO Cn1nnc(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)n1 ZINC001031904990 763480870 /nfs/dbraw/zinc/48/08/70/763480870.db2.gz RCNZDQLDTWSVHY-UHFFFAOYSA-N 1 2 329.339 0.083 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(Cc3ccccn3)CC2)C1 ZINC001051997682 763548822 /nfs/dbraw/zinc/54/88/22/763548822.db2.gz FYQMABCJBPANRD-DOTOQJQBSA-N 1 2 327.432 0.960 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC001051997682 763548829 /nfs/dbraw/zinc/54/88/29/763548829.db2.gz FYQMABCJBPANRD-DOTOQJQBSA-N 1 2 327.432 0.960 20 30 ECEDLO Cc1noc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)n1 ZINC001051997980 763549655 /nfs/dbraw/zinc/54/96/55/763549655.db2.gz LNWBELYQWZSLTO-GXTWGEPZSA-N 1 2 332.408 0.256 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(Cc3ccn(C)n3)CC2)C1 ZINC001051998037 763549926 /nfs/dbraw/zinc/54/99/26/763549926.db2.gz NCZJHBNVYPXFAL-GOEBONIOSA-N 1 2 330.436 0.298 20 30 ECEDLO Cn1ncc(Cl)c1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052027504 763622791 /nfs/dbraw/zinc/62/27/91/763622791.db2.gz GWQJVFHTSHYDTJ-LBPRGKRZSA-N 1 2 336.827 0.429 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)CC1 ZINC001052029711 763625849 /nfs/dbraw/zinc/62/58/49/763625849.db2.gz AINKMTFPKIXDHV-IXDOHACOSA-N 1 2 348.491 0.696 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCN(CCO)CC2)C1 ZINC001052029301 763626716 /nfs/dbraw/zinc/62/67/16/763626716.db2.gz ZMBBMCPNIYSAOE-BBWFWOEESA-N 1 2 337.464 0.178 20 30 ECEDLO COc1nc(C)ncc1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052035738 763644637 /nfs/dbraw/zinc/64/46/37/763644637.db2.gz ONUOROFVKADJAY-AWEZNQCLSA-N 1 2 344.419 0.149 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc4n(n3)CCC4)C2)CC1 ZINC001052035800 763645478 /nfs/dbraw/zinc/64/54/78/763645478.db2.gz QITCJZNWZJJRAM-INIZCTEOSA-N 1 2 329.448 0.847 20 30 ECEDLO C=CCn1cccc1C(=O)N1CC[C@H]([NH+]2CCN(CCO)CC2)C1 ZINC001052036677 763650385 /nfs/dbraw/zinc/65/03/85/763650385.db2.gz SHUCSWQVLYDHKB-INIZCTEOSA-N 1 2 332.448 0.499 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(OCC)n[nH]3)C2)CC1 ZINC001052041270 763664947 /nfs/dbraw/zinc/66/49/47/763664947.db2.gz XOCISFQLJNFHNE-OAHLLOKOSA-N 1 2 345.447 0.664 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(OCC)n[nH]3)C2)CC1 ZINC001052041270 763664949 /nfs/dbraw/zinc/66/49/49/763664949.db2.gz XOCISFQLJNFHNE-OAHLLOKOSA-N 1 2 345.447 0.664 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc4cccn4cn3)C2)CC1 ZINC001052041173 763665084 /nfs/dbraw/zinc/66/50/84/763665084.db2.gz USGKIFXQVLIYEF-KRWDZBQOSA-N 1 2 337.427 0.800 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc4cccn4cn3)C2)CC1 ZINC001052041173 763665089 /nfs/dbraw/zinc/66/50/89/763665089.db2.gz USGKIFXQVLIYEF-KRWDZBQOSA-N 1 2 337.427 0.800 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C2)CC1 ZINC001052041647 763667901 /nfs/dbraw/zinc/66/79/01/763667901.db2.gz NZXKXQOANKCCBR-HNNXBMFYSA-N 1 2 345.447 0.189 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@]3(CC)CCNC3=O)C2)CC1 ZINC001052041629 763668410 /nfs/dbraw/zinc/66/84/10/763668410.db2.gz NJRAYTVFZRQFBH-APWZRJJASA-N 1 2 346.475 0.145 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3ccc(F)cn3)C2)CC1 ZINC001052043205 763673558 /nfs/dbraw/zinc/67/35/58/763673558.db2.gz REPKFVRMQSZRIV-QGZVFWFLSA-N 1 2 330.407 0.615 20 30 ECEDLO C[NH+](C)Cc1cc(C(=O)N2CC[C@@H](N3CCN(CC#N)CC3)C2)no1 ZINC001052044073 763677190 /nfs/dbraw/zinc/67/71/90/763677190.db2.gz CDZNQJWBJRYBPI-CQSZACIVSA-N 1 2 346.435 0.092 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(CC)CC)C[C@H]1OC ZINC001212185407 763685107 /nfs/dbraw/zinc/68/51/07/763685107.db2.gz UIULPECUNLVOBL-HZPDHXFCSA-N 1 2 337.464 0.910 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(CC)CC)C[C@H]1OC ZINC001212185407 763685112 /nfs/dbraw/zinc/68/51/12/763685112.db2.gz UIULPECUNLVOBL-HZPDHXFCSA-N 1 2 337.464 0.910 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccc(OC)o3)C2)nn1 ZINC001098757523 763692759 /nfs/dbraw/zinc/69/27/59/763692759.db2.gz QAXYHOAXYKLNEF-CYBMUJFWSA-N 1 2 329.360 0.690 20 30 ECEDLO Cc1nc(C)c(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)nc1C ZINC001052048858 763699291 /nfs/dbraw/zinc/69/92/91/763699291.db2.gz DTFAUCWYHVUXDR-MRXNPFEDSA-N 1 2 342.447 0.758 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3CCCC(=O)N3)C2)CC1 ZINC001052049414 763701199 /nfs/dbraw/zinc/70/11/99/763701199.db2.gz LFYFMKFYQIHAHJ-DLBZAZTESA-N 1 2 348.491 0.840 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3cc(C)nn3C)C2)CC1 ZINC001052049444 763701550 /nfs/dbraw/zinc/70/15/50/763701550.db2.gz LWJHCXYQJMITFB-QGZVFWFLSA-N 1 2 343.475 0.513 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCCN1C(=O)c1cc(C#N)c[nH]1 ZINC001015037336 763722153 /nfs/dbraw/zinc/72/21/53/763722153.db2.gz VROFUPQNJPOZCZ-JSGCOSHPSA-N 1 2 340.387 0.892 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)C3(C4CC4)CCOCC3)C2)CC1 ZINC001052055764 763724753 /nfs/dbraw/zinc/72/47/53/763724753.db2.gz BXCMEQHTNWHXPL-QGZVFWFLSA-N 1 2 346.475 0.935 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3CCC(=O)N3C)C2)CC1 ZINC001052061072 763742926 /nfs/dbraw/zinc/74/29/26/763742926.db2.gz RTZUTTUKGRFEKW-IRXDYDNUSA-N 1 2 346.475 0.239 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H](N2CC[NH+]([C@@H]3CCCNC3=O)CC2)C1 ZINC001052062707 763746885 /nfs/dbraw/zinc/74/68/85/763746885.db2.gz MZXMKQVVSDGKAN-HZPDHXFCSA-N 1 2 348.491 0.696 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN([C@@H]3CCCNC3=O)CC2)C1 ZINC001052062707 763746891 /nfs/dbraw/zinc/74/68/91/763746891.db2.gz MZXMKQVVSDGKAN-HZPDHXFCSA-N 1 2 348.491 0.696 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c(C)cnn3C)C2)CC1 ZINC001052067451 763759068 /nfs/dbraw/zinc/75/90/68/763759068.db2.gz JZBFLUMDGNGZEP-MRXNPFEDSA-N 1 2 329.448 0.584 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C)nc(OC)c3)C2)CC1 ZINC001052070062 763767190 /nfs/dbraw/zinc/76/71/90/763767190.db2.gz CHTJSQVZAGULCD-KRWDZBQOSA-N 1 2 342.443 0.864 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)c3cncnc3)C2)CC1 ZINC001052071748 763773554 /nfs/dbraw/zinc/77/35/54/763773554.db2.gz YRYLUALYKTWUSK-FUHWJXTLSA-N 1 2 341.459 0.822 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3ccc(OC)cn3)C2)CC1 ZINC001052071746 763773938 /nfs/dbraw/zinc/77/39/38/763773938.db2.gz YOUWUYMFJRCQLV-QGZVFWFLSA-N 1 2 342.443 0.484 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCCC(=O)N3)C2)CC1 ZINC001052079249 763792147 /nfs/dbraw/zinc/79/21/47/763792147.db2.gz HBMGVWZCZGWDKU-SJORKVTESA-N 1 2 348.491 0.840 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([NH+]3CCN([C@@H]4CCNC4=O)CC3)C2)C1 ZINC001052083099 763804073 /nfs/dbraw/zinc/80/40/73/763804073.db2.gz ZYDGCVRBNWDSIV-HZPDHXFCSA-N 1 2 346.475 0.450 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc4ncccn4n3)C2)CC1 ZINC001052099027 763855264 /nfs/dbraw/zinc/85/52/64/763855264.db2.gz FUVZMWMYOARRSQ-AWEZNQCLSA-N 1 2 339.403 0.085 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ncc[nH]3)C2)CC1 ZINC001052100841 763861770 /nfs/dbraw/zinc/86/17/70/763861770.db2.gz IYHMIZWIGSGMPM-CQSZACIVSA-N 1 2 337.855 0.923 20 30 ECEDLO CC[C@@H]1CCCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052104270 763872168 /nfs/dbraw/zinc/87/21/68/763872168.db2.gz YJNXMSGFXCVXSM-HZPDHXFCSA-N 1 2 347.463 0.129 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cnn(CC)c3)C2)CC1 ZINC001052106299 763879776 /nfs/dbraw/zinc/87/97/76/763879776.db2.gz HHIHVYAHJRUMMI-SFHVURJKSA-N 1 2 343.475 0.687 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)c3cccn(C)c3=O)C2)CC1 ZINC001052109632 763896579 /nfs/dbraw/zinc/89/65/79/763896579.db2.gz DSVCEEPRCPHWCL-INIZCTEOSA-N 1 2 342.443 0.241 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccn(C)c3=O)C2)CC1 ZINC001052110579 763901291 /nfs/dbraw/zinc/90/12/91/763901291.db2.gz SZYKDWLGPYFFKZ-INIZCTEOSA-N 1 2 342.443 0.241 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn4ccccc4n3)C2)CC1 ZINC001052113224 763911161 /nfs/dbraw/zinc/91/11/61/763911161.db2.gz POLSDDNYAJWINN-HNNXBMFYSA-N 1 2 338.415 0.690 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)C2)CC1 ZINC001052113410 763912575 /nfs/dbraw/zinc/91/25/75/763912575.db2.gz USBSXIIUUKUAPA-QZTJIDSGSA-N 1 2 348.491 0.649 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)CCN3CCCC3=O)C2)CC1 ZINC001052117476 763929024 /nfs/dbraw/zinc/92/90/24/763929024.db2.gz PPWDFTKDYAAMGS-QGZVFWFLSA-N 1 2 348.491 0.794 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3noc4c3COCC4)C2)CC1 ZINC001052119454 763936591 /nfs/dbraw/zinc/93/65/91/763936591.db2.gz RMGGQENBYOJBTJ-ZDUSSCGKSA-N 1 2 345.403 0.103 20 30 ECEDLO C=CCN1CC[C@H](N2CC(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1=O ZINC001030555313 763937126 /nfs/dbraw/zinc/93/71/26/763937126.db2.gz UYFLMJYXMUJHLL-HIFRSBDPSA-N 1 2 343.431 0.033 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3occc3C)C2)C1=O ZINC001047306927 763941457 /nfs/dbraw/zinc/94/14/57/763941457.db2.gz ZWYJAUITKYCBIA-KKUMJFAQSA-N 1 2 347.415 0.492 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3occc3C)C2)C1=O ZINC001047306927 763941463 /nfs/dbraw/zinc/94/14/63/763941463.db2.gz ZWYJAUITKYCBIA-KKUMJFAQSA-N 1 2 347.415 0.492 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(C(N)=O)nc3)C2)CC1 ZINC001052125592 763954786 /nfs/dbraw/zinc/95/47/86/763954786.db2.gz WNJVJKLGTVLZDS-OAHLLOKOSA-N 1 2 343.431 0.199 20 30 ECEDLO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001031982057 763959794 /nfs/dbraw/zinc/95/97/94/763959794.db2.gz CPVZNCGYYMBSOZ-CVEARBPZSA-N 1 2 345.830 0.861 20 30 ECEDLO CN(C(=O)[C@@H]1CCOC1)[C@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001047321678 763988471 /nfs/dbraw/zinc/98/84/71/763988471.db2.gz ITMPNSMIWAVSTK-NJAFHUGGSA-N 1 2 346.402 0.717 20 30 ECEDLO CN(C(=O)[C@@H]1CCOC1)[C@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001047321678 763988472 /nfs/dbraw/zinc/98/84/72/763988472.db2.gz ITMPNSMIWAVSTK-NJAFHUGGSA-N 1 2 346.402 0.717 20 30 ECEDLO C[C@H]1[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001015174624 764072685 /nfs/dbraw/zinc/07/26/85/764072685.db2.gz NJQMOWPIEHYUHS-WCQYABFASA-N 1 2 340.387 0.961 20 30 ECEDLO Cc1cc(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)ncn1 ZINC001047354836 764094921 /nfs/dbraw/zinc/09/49/21/764094921.db2.gz NWKBMPWRWJXBIN-HOTGVXAUSA-N 1 2 340.387 0.302 20 30 ECEDLO Cc1cc(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)ncn1 ZINC001047354836 764094930 /nfs/dbraw/zinc/09/49/30/764094930.db2.gz NWKBMPWRWJXBIN-HOTGVXAUSA-N 1 2 340.387 0.302 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nn3c(c2C)OCCC3)C1 ZINC001047405099 764238278 /nfs/dbraw/zinc/23/82/78/764238278.db2.gz BCSTYHSOZBQDGG-KBPBESRZSA-N 1 2 332.404 0.114 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nn3c(c2C)OCCC3)C1 ZINC001047405099 764238284 /nfs/dbraw/zinc/23/82/84/764238284.db2.gz BCSTYHSOZBQDGG-KBPBESRZSA-N 1 2 332.404 0.114 20 30 ECEDLO C=CCn1cccc1C(=O)N(C)[C@H]1C[N@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001047409084 764253966 /nfs/dbraw/zinc/25/39/66/764253966.db2.gz PBXAHKFLJHRMLA-HOTGVXAUSA-N 1 2 346.431 0.070 20 30 ECEDLO C=CCn1cccc1C(=O)N(C)[C@H]1C[N@@H+](CC(=O)NC2CC2)C[C@@H]1O ZINC001047409084 764253973 /nfs/dbraw/zinc/25/39/73/764253973.db2.gz PBXAHKFLJHRMLA-HOTGVXAUSA-N 1 2 346.431 0.070 20 30 ECEDLO C=CCCn1cc(C(=O)NCC2C[NH+](Cc3cncn3C)C2)nn1 ZINC001032041560 764255881 /nfs/dbraw/zinc/25/58/81/764255881.db2.gz REHKEPAOSJYQSP-UHFFFAOYSA-N 1 2 329.408 0.450 20 30 ECEDLO C=CCn1cccc1C(=O)N(C)[C@H]1C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001047410572 764260984 /nfs/dbraw/zinc/26/09/84/764260984.db2.gz NXKWOWIQVQTVCN-BPUTZDHNSA-N 1 2 348.447 0.268 20 30 ECEDLO C=CCn1cccc1C(=O)N(C)[C@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001047410572 764260989 /nfs/dbraw/zinc/26/09/89/764260989.db2.gz NXKWOWIQVQTVCN-BPUTZDHNSA-N 1 2 348.447 0.268 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C3(C4CC4)CC3)C2)C1=O ZINC001047420702 764292161 /nfs/dbraw/zinc/29/21/61/764292161.db2.gz OJMHRFOYAXPADQ-PMPSAXMXSA-N 1 2 347.459 0.467 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C3(C4CC4)CC3)C2)C1=O ZINC001047420702 764292171 /nfs/dbraw/zinc/29/21/71/764292171.db2.gz OJMHRFOYAXPADQ-PMPSAXMXSA-N 1 2 347.459 0.467 20 30 ECEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001032052923 764336878 /nfs/dbraw/zinc/33/68/78/764336878.db2.gz HKHDFOYEHWHTCC-UHFFFAOYSA-N 1 2 335.795 0.745 20 30 ECEDLO C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001052385096 764384499 /nfs/dbraw/zinc/38/44/99/764384499.db2.gz QOZHSZQFWOQFKA-NWDGAFQWSA-N 1 2 340.387 0.676 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)[C@H]2C[N@H+](Cc3ccnn3C)C[C@@H]2O)c1 ZINC001047520944 764578150 /nfs/dbraw/zinc/57/81/50/764578150.db2.gz HOCOYYFBLOXTPU-IRXDYDNUSA-N 1 2 339.399 0.114 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)[C@H]2C[N@@H+](Cc3ccnn3C)C[C@@H]2O)c1 ZINC001047520944 764578160 /nfs/dbraw/zinc/57/81/60/764578160.db2.gz HOCOYYFBLOXTPU-IRXDYDNUSA-N 1 2 339.399 0.114 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)c(NC(C)=O)c2)C1 ZINC001078254694 782569301 /nfs/dbraw/zinc/56/93/01/782569301.db2.gz KIHKDAJYDWKDAW-HZPDHXFCSA-N 1 2 333.363 0.582 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)c(NC(C)=O)c2)C1 ZINC001078254694 782569304 /nfs/dbraw/zinc/56/93/04/782569304.db2.gz KIHKDAJYDWKDAW-HZPDHXFCSA-N 1 2 333.363 0.582 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@H](C)[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001052549431 764737279 /nfs/dbraw/zinc/73/72/79/764737279.db2.gz UTECHPUUBWSBIF-GJZGRUSLSA-N 1 2 330.432 0.833 20 30 ECEDLO CN(C(=O)c1ncccn1)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047574300 764740400 /nfs/dbraw/zinc/74/04/00/764740400.db2.gz IENWIQBHINWBBC-KBPBESRZSA-N 1 2 343.412 0.727 20 30 ECEDLO CN(C(=O)c1ncccn1)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047574300 764740402 /nfs/dbraw/zinc/74/04/02/764740402.db2.gz IENWIQBHINWBBC-KBPBESRZSA-N 1 2 343.412 0.727 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3ccc(C)o3)n[nH]2)C1 ZINC001047627971 764926800 /nfs/dbraw/zinc/92/68/00/764926800.db2.gz BTTBEUYIYPXIHK-GJZGRUSLSA-N 1 2 328.372 0.728 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3ccc(C)o3)n[nH]2)C1 ZINC001047627971 764926811 /nfs/dbraw/zinc/92/68/11/764926811.db2.gz BTTBEUYIYPXIHK-GJZGRUSLSA-N 1 2 328.372 0.728 20 30 ECEDLO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)n1 ZINC001015554027 764949835 /nfs/dbraw/zinc/94/98/35/764949835.db2.gz KEXRWBOMMLBPMP-CQSZACIVSA-N 1 2 344.806 0.719 20 30 ECEDLO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)n1 ZINC001015554027 764949839 /nfs/dbraw/zinc/94/98/39/764949839.db2.gz KEXRWBOMMLBPMP-CQSZACIVSA-N 1 2 344.806 0.719 20 30 ECEDLO C=CCCn1cc(C(=O)NC2CN(C(=O)CCn3cc[nH+]c3)C2)nn1 ZINC000991996466 765103852 /nfs/dbraw/zinc/10/38/52/765103852.db2.gz AOYSWFYQHDTOOM-UHFFFAOYSA-N 1 2 343.391 0.082 20 30 ECEDLO C=CCCOCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001052841646 765212942 /nfs/dbraw/zinc/21/29/42/765212942.db2.gz PDTSAGFPDHDVHP-KGLIPLIRSA-N 1 2 334.420 0.756 20 30 ECEDLO N#Cc1cc(C(=O)NCC2CC(NC(=O)Cc3[nH]cc[nH+]3)C2)c[nH]1 ZINC000992047095 765276954 /nfs/dbraw/zinc/27/69/54/765276954.db2.gz OTSXWONDGZRXNJ-UHFFFAOYSA-N 1 2 326.360 0.477 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)C(=O)NC3CC3)C2)nn1 ZINC001015820551 765383885 /nfs/dbraw/zinc/38/38/85/765383885.db2.gz IKCXTGQILNMKES-OCCSQVGLSA-N 1 2 346.435 0.325 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+]([C@H](C)C(=O)NC3CC3)C2)nn1 ZINC001015820551 765383888 /nfs/dbraw/zinc/38/38/88/765383888.db2.gz IKCXTGQILNMKES-OCCSQVGLSA-N 1 2 346.435 0.325 20 30 ECEDLO C#CCCCC(=O)NC[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001053035344 765509760 /nfs/dbraw/zinc/50/97/60/765509760.db2.gz VBQPBHUBSMRLHP-CABCVRRESA-N 1 2 330.432 0.977 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3nc(C)oc3C)C2)C1=O ZINC001015898188 765513024 /nfs/dbraw/zinc/51/30/24/765513024.db2.gz KXMUIPSWFLNMSH-KGLIPLIRSA-N 1 2 332.404 0.882 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3nc(C)oc3C)C2)C1=O ZINC001015898188 765513028 /nfs/dbraw/zinc/51/30/28/765513028.db2.gz KXMUIPSWFLNMSH-KGLIPLIRSA-N 1 2 332.404 0.882 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CS(C)(=O)=O)C1 ZINC001053066679 765541098 /nfs/dbraw/zinc/54/10/98/765541098.db2.gz CAPKYGZPZNHJGE-CABCVRRESA-N 1 2 326.462 0.757 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CS(C)(=O)=O)C1 ZINC001053066679 765541102 /nfs/dbraw/zinc/54/11/02/765541102.db2.gz CAPKYGZPZNHJGE-CABCVRRESA-N 1 2 326.462 0.757 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3conc3COC)C2)C1=O ZINC001015981388 765660579 /nfs/dbraw/zinc/66/05/79/765660579.db2.gz PLAMOHRJHQRXTL-DOMZBBRYSA-N 1 2 348.403 0.412 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3conc3COC)C2)C1=O ZINC001015981388 765660582 /nfs/dbraw/zinc/66/05/82/765660582.db2.gz PLAMOHRJHQRXTL-DOMZBBRYSA-N 1 2 348.403 0.412 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@H](C)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106443528 768311862 /nfs/dbraw/zinc/31/18/62/768311862.db2.gz ZLSPSOBXSFPYFH-NEPJUHHUSA-N 1 2 334.424 0.591 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001016018975 765725587 /nfs/dbraw/zinc/72/55/87/765725587.db2.gz MWACOPQTZAKCIK-CHWSQXEVSA-N 1 2 330.388 0.032 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001016018975 765725594 /nfs/dbraw/zinc/72/55/94/765725594.db2.gz MWACOPQTZAKCIK-CHWSQXEVSA-N 1 2 330.388 0.032 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CCCC3)C2)nc1 ZINC001016022769 765727964 /nfs/dbraw/zinc/72/79/64/765727964.db2.gz GGCZPFSKHRQAIP-INIZCTEOSA-N 1 2 340.427 0.926 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CCCC3)C2)nc1 ZINC001016022769 765727966 /nfs/dbraw/zinc/72/79/66/765727966.db2.gz GGCZPFSKHRQAIP-INIZCTEOSA-N 1 2 340.427 0.926 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)C2)cn1 ZINC001016029222 765732181 /nfs/dbraw/zinc/73/21/81/765732181.db2.gz DHJONSSFWQDMCQ-CZUORRHYSA-N 1 2 347.440 0.302 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)C2)cn1 ZINC001016029222 765732185 /nfs/dbraw/zinc/73/21/85/765732185.db2.gz DHJONSSFWQDMCQ-CZUORRHYSA-N 1 2 347.440 0.302 20 30 ECEDLO N#CCN1CC2(C1)CN(C(=O)c1ccc(-n3cc[nH+]c3)cc1)CCO2 ZINC001053361578 766033922 /nfs/dbraw/zinc/03/39/22/766033922.db2.gz NQACNWJRNAVCIF-UHFFFAOYSA-N 1 2 337.383 0.923 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCc3nn[nH]c31)CCO2 ZINC001053397946 766082192 /nfs/dbraw/zinc/08/21/92/766082192.db2.gz PHYBGWLBZQVBLZ-CYBMUJFWSA-N 1 2 331.420 0.714 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2N(C)C(C)=O)[C@@H](O)C1 ZINC001083684268 766087810 /nfs/dbraw/zinc/08/78/10/766087810.db2.gz MWRYPSCEVCUYFG-WBVHZDCISA-N 1 2 329.400 0.468 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2N(C)C(C)=O)[C@@H](O)C1 ZINC001083684268 766087813 /nfs/dbraw/zinc/08/78/13/766087813.db2.gz MWRYPSCEVCUYFG-WBVHZDCISA-N 1 2 329.400 0.468 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2CC(NC(=O)Cc3c[nH]c[nH+]3)C2)nc1 ZINC000992262029 766092727 /nfs/dbraw/zinc/09/27/27/766092727.db2.gz DGVJHDDDUOWVPH-UHFFFAOYSA-N 1 2 337.383 0.653 20 30 ECEDLO C#CCN1CC2(C1)CN(C(=O)C[N@@H+]1CCc3sccc3C1)CCO2 ZINC001053540663 766306132 /nfs/dbraw/zinc/30/61/32/766306132.db2.gz AFYDPBKOTNNXQZ-UHFFFAOYSA-N 1 2 345.468 0.653 20 30 ECEDLO C#CCN1CC2(C1)CN(C(=O)C[N@H+]1CCc3sccc3C1)CCO2 ZINC001053540663 766306142 /nfs/dbraw/zinc/30/61/42/766306142.db2.gz AFYDPBKOTNNXQZ-UHFFFAOYSA-N 1 2 345.468 0.653 20 30 ECEDLO Cn1cc(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)nn1 ZINC001031649781 766344441 /nfs/dbraw/zinc/34/44/41/766344441.db2.gz LSHVGYOLFVEXBL-UHFFFAOYSA-N 1 2 328.351 0.688 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001045778278 766359530 /nfs/dbraw/zinc/35/95/30/766359530.db2.gz WVTMFCMJCTZENT-MRXNPFEDSA-N 1 2 334.420 0.634 20 30 ECEDLO C=CCN1CC[C@@H]([NH2+]Cc2nc3c(s2)CCN(C(C)=O)C3)C1=O ZINC001089266040 766403593 /nfs/dbraw/zinc/40/35/93/766403593.db2.gz HLEZMHYAQCLMDA-GFCCVEGCSA-N 1 2 334.445 0.924 20 30 ECEDLO C=CCN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCn3c[nH+]cc3C1)O2 ZINC001053617821 766442989 /nfs/dbraw/zinc/44/29/89/766442989.db2.gz HMEMEAZNEUUXFQ-ZBFHGGJFSA-N 1 2 330.432 0.981 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1CCC(C(N)=O)CC1)O2 ZINC001053619468 766449649 /nfs/dbraw/zinc/44/96/49/766449649.db2.gz AGCDKQLJHJUARL-NRXISQOPSA-N 1 2 335.448 0.814 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cn3cccnc3n1)O2 ZINC001053620793 766455990 /nfs/dbraw/zinc/45/59/90/766455990.db2.gz UJZOCUHAGRMBRQ-CYBMUJFWSA-N 1 2 327.388 0.879 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C(N)=O)cn1C)O2 ZINC001053626621 766470067 /nfs/dbraw/zinc/47/00/67/766470067.db2.gz ASHDLZDHCLJXOT-ZDUSSCGKSA-N 1 2 332.404 0.273 20 30 ECEDLO CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 ZINC001212254482 766526659 /nfs/dbraw/zinc/52/66/59/766526659.db2.gz YECJVOUCBJQIPP-FVQBIDKESA-N 1 2 335.448 0.472 20 30 ECEDLO CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 ZINC001212254482 766526667 /nfs/dbraw/zinc/52/66/67/766526667.db2.gz YECJVOUCBJQIPP-FVQBIDKESA-N 1 2 335.448 0.472 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)nn1 ZINC001015813275 766543264 /nfs/dbraw/zinc/54/32/64/766543264.db2.gz OCNPEEXXQAVBOL-AWEZNQCLSA-N 1 2 346.435 0.281 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCCCC3)C2)nn1 ZINC001015813275 766543270 /nfs/dbraw/zinc/54/32/70/766543270.db2.gz OCNPEEXXQAVBOL-AWEZNQCLSA-N 1 2 346.435 0.281 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCS(=O)(=O)C1)O2 ZINC001053670035 766548984 /nfs/dbraw/zinc/54/89/84/766548984.db2.gz KBMNHGMZBXKAHX-KGLIPLIRSA-N 1 2 342.461 0.347 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(N(C)C)nn1)O2 ZINC001053686038 766585745 /nfs/dbraw/zinc/58/57/45/766585745.db2.gz FGAALAGFIOOVTG-CYBMUJFWSA-N 1 2 331.420 0.692 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCN1C(C)=O)O2 ZINC001053692928 766600041 /nfs/dbraw/zinc/60/00/41/766600041.db2.gz VYTKMTMXRRWSMS-HOTGVXAUSA-N 1 2 335.448 0.923 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C(N)=O)c3)C[C@@H]2O)C1 ZINC001083762866 766645625 /nfs/dbraw/zinc/64/56/25/766645625.db2.gz RMPNDEFTGHSLLD-CVEARBPZSA-N 1 2 343.427 0.803 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C(N)=O)c3)C[C@@H]2O)C1 ZINC001083762866 766645630 /nfs/dbraw/zinc/64/56/30/766645630.db2.gz RMPNDEFTGHSLLD-CVEARBPZSA-N 1 2 343.427 0.803 20 30 ECEDLO CCN1C[C@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)CC1=O ZINC001031708409 766659745 /nfs/dbraw/zinc/65/97/45/766659745.db2.gz CCOMNBOKZIETOW-QGZVFWFLSA-N 1 2 340.427 0.975 20 30 ECEDLO CCN(c1ncnc2c1C[N@H+](C)CC2)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001089623272 766688724 /nfs/dbraw/zinc/68/87/24/766688724.db2.gz PIVUHBJIRVNUOY-CHWSQXEVSA-N 1 2 330.436 0.955 20 30 ECEDLO CCN(c1ncnc2c1C[N@@H+](C)CC2)[C@H](C)CNC(=O)[C@H](C)C#N ZINC001089623272 766688726 /nfs/dbraw/zinc/68/87/26/766688726.db2.gz PIVUHBJIRVNUOY-CHWSQXEVSA-N 1 2 330.436 0.955 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046030978 766699498 /nfs/dbraw/zinc/69/94/98/766699498.db2.gz GRVXYRGYSWOLPQ-ZACQAIPSSA-N 1 2 332.448 0.710 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3ccnn3C(F)F)CC2)C1 ZINC001046032629 766706339 /nfs/dbraw/zinc/70/63/39/766706339.db2.gz GMVDNMOCJMOLGP-GFCCVEGCSA-N 1 2 338.362 0.634 20 30 ECEDLO CC(C)(C)n1ccc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)n1 ZINC001046033181 766708977 /nfs/dbraw/zinc/70/89/77/766708977.db2.gz ADIKGHBDMXNVLJ-HNNXBMFYSA-N 1 2 344.463 0.994 20 30 ECEDLO Cc1[nH]nc(Cl)c1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046033548 766710367 /nfs/dbraw/zinc/71/03/67/766710367.db2.gz HKXSPXBHFLBFAE-GFCCVEGCSA-N 1 2 336.827 0.727 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@@H]2O)C1 ZINC001083763639 766722992 /nfs/dbraw/zinc/72/29/92/766722992.db2.gz UJZZKVAEMZQDFT-OAGGEKHMSA-N 1 2 347.459 0.657 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@@H]2O)C1 ZINC001083763639 766722999 /nfs/dbraw/zinc/72/29/99/766722999.db2.gz UJZZKVAEMZQDFT-OAGGEKHMSA-N 1 2 347.459 0.657 20 30 ECEDLO CC(C)(C)n1cc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)nn1 ZINC001046035980 766723925 /nfs/dbraw/zinc/72/39/25/766723925.db2.gz XRTFFUFCPHQAEV-CQSZACIVSA-N 1 2 345.451 0.389 20 30 ECEDLO Cc1cc(CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)n(C)n1 ZINC001046043627 766762312 /nfs/dbraw/zinc/76/23/12/766762312.db2.gz BRQRZKVPENENOG-HNNXBMFYSA-N 1 2 330.436 0.013 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)CC2)C1 ZINC001046046995 766775581 /nfs/dbraw/zinc/77/55/81/766775581.db2.gz KPESYLNMBDGKLL-ZACQAIPSSA-N 1 2 332.448 0.544 20 30 ECEDLO COc1ccnc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)c1 ZINC001046050082 766785422 /nfs/dbraw/zinc/78/54/22/766785422.db2.gz DQSLXZMDELUBEI-CQSZACIVSA-N 1 2 329.404 0.446 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3nccn4ccnc34)CC2)C1 ZINC001046063512 766838454 /nfs/dbraw/zinc/83/84/54/766838454.db2.gz QBAGCVXFPPWQOT-CQSZACIVSA-N 1 2 339.403 0.085 20 30 ECEDLO N#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001016748251 766838738 /nfs/dbraw/zinc/83/87/38/766838738.db2.gz JJTGFVVWRDUEJU-IRXDYDNUSA-N 1 2 346.475 0.982 20 30 ECEDLO N#CCN1CCC2(C[C@@H]2NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001016748251 766838748 /nfs/dbraw/zinc/83/87/48/766838748.db2.gz JJTGFVVWRDUEJU-IRXDYDNUSA-N 1 2 346.475 0.982 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@H]3Cc4ccncc4C3)CC2)C1 ZINC001046064160 766841786 /nfs/dbraw/zinc/84/17/86/766841786.db2.gz GWPCYUWVVJELCS-WMZOPIPTSA-N 1 2 339.443 0.538 20 30 ECEDLO Cn1cc(C(C)(C)C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)cn1 ZINC001046072748 766882278 /nfs/dbraw/zinc/88/22/78/766882278.db2.gz MIJLGSYNOJNXCH-INIZCTEOSA-N 1 2 344.463 0.440 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)CC[C@@H]3CCCOC3)CC2)C1 ZINC001046074732 766892123 /nfs/dbraw/zinc/89/21/23/766892123.db2.gz FZZHGAMEULJZSH-DLBZAZTESA-N 1 2 334.464 0.935 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F ZINC001106134719 766892913 /nfs/dbraw/zinc/89/29/13/766892913.db2.gz DVVJKCZCDZABBN-MFKMUULPSA-N 1 2 346.366 0.583 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F ZINC001106134719 766892924 /nfs/dbraw/zinc/89/29/24/766892924.db2.gz DVVJKCZCDZABBN-MFKMUULPSA-N 1 2 346.366 0.583 20 30 ECEDLO C=CCN1CC2(C1)C[C@H](NC(=O)c1cc([C@H]3CCC[N@H+]3C)n[nH]1)CO2 ZINC001053805518 766894181 /nfs/dbraw/zinc/89/41/81/766894181.db2.gz SSXWIJISOPIXKP-XJKSGUPXSA-N 1 2 345.447 0.936 20 30 ECEDLO C=CCN1CC2(C1)C[C@H](NC(=O)c1cc([C@H]3CCC[N@@H+]3C)n[nH]1)CO2 ZINC001053805518 766894192 /nfs/dbraw/zinc/89/41/92/766894192.db2.gz SSXWIJISOPIXKP-XJKSGUPXSA-N 1 2 345.447 0.936 20 30 ECEDLO C=CCN1CC2(C1)C[C@@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)CO2 ZINC001053807353 766899749 /nfs/dbraw/zinc/89/97/49/766899749.db2.gz IKGQDOYBOOZVRG-OAHLLOKOSA-N 1 2 330.432 0.907 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(OC2CN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000994822980 766901395 /nfs/dbraw/zinc/90/13/95/766901395.db2.gz UEDJOVCFCIMSLF-GFCCVEGCSA-N 1 2 345.403 0.330 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)C3CC4(C3)CCOCC4)CC2)C1 ZINC001046078047 766908899 /nfs/dbraw/zinc/90/88/99/766908899.db2.gz SKXWTPNZPNCZJP-QGZVFWFLSA-N 1 2 346.475 0.935 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccn3nnnc13)CO2 ZINC001053814465 766911833 /nfs/dbraw/zinc/91/18/33/766911833.db2.gz NZUIVZDKISICOS-GFCCVEGCSA-N 1 2 328.376 0.274 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3ccc(C(N)=O)cc3)CC2)C1 ZINC001046082768 766922113 /nfs/dbraw/zinc/92/21/13/766922113.db2.gz WKYWTJCBJSTLRK-INIZCTEOSA-N 1 2 341.415 0.141 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3ccc(C(N)=O)cc3)CC2)C1 ZINC001046082770 766922260 /nfs/dbraw/zinc/92/22/60/766922260.db2.gz WKYWTJCBJSTLRK-MRXNPFEDSA-N 1 2 341.415 0.141 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)CO2 ZINC001053822393 766940884 /nfs/dbraw/zinc/94/08/84/766940884.db2.gz MGXHFDVPCPMABE-LSDHHAIUSA-N 1 2 347.459 0.616 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc(C)nc1OC)CO2 ZINC001053823893 766945656 /nfs/dbraw/zinc/94/56/56/766945656.db2.gz SSEKMKBVQUTPNB-CYBMUJFWSA-N 1 2 330.388 0.390 20 30 ECEDLO C#CCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3[nH+]c(C)[nH]c3C1)CO2 ZINC001053851430 767021018 /nfs/dbraw/zinc/02/10/18/767021018.db2.gz RTGVTIUXNLAZML-ZIAGYGMSSA-N 1 2 328.416 0.416 20 30 ECEDLO C#CCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3[nH]c(C)[nH+]c3C1)CO2 ZINC001053851430 767021029 /nfs/dbraw/zinc/02/10/29/767021029.db2.gz RTGVTIUXNLAZML-ZIAGYGMSSA-N 1 2 328.416 0.416 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@@H](C)N(CC)c1[nH+]cnc2c1cnn2C ZINC001089692289 767064762 /nfs/dbraw/zinc/06/47/62/767064762.db2.gz RVRXBSJEKZKPBV-OLZOCXBDSA-N 1 2 344.419 0.733 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001083709155 767078895 /nfs/dbraw/zinc/07/88/95/767078895.db2.gz BQNAZNYVAHAWPU-WKULXVSPSA-N 1 2 344.386 0.231 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001083709155 767078906 /nfs/dbraw/zinc/07/89/06/767078906.db2.gz BQNAZNYVAHAWPU-WKULXVSPSA-N 1 2 344.386 0.231 20 30 ECEDLO Cn1cnnc1C[N@@H+]1CC[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 ZINC001042018161 782607790 /nfs/dbraw/zinc/60/77/90/782607790.db2.gz HEJOFMJZANZCII-SWLSCSKDSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1cnnc1C[N@H+]1CC[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 ZINC001042018161 782607791 /nfs/dbraw/zinc/60/77/91/782607791.db2.gz HEJOFMJZANZCII-SWLSCSKDSA-N 1 2 339.403 0.751 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(CC)[nH]c(=O)c1)CO2 ZINC001053872891 767096162 /nfs/dbraw/zinc/09/61/62/767096162.db2.gz LDJVLAHQBZTFKK-HNNXBMFYSA-N 1 2 329.400 0.946 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3nncn3CC1)CO2 ZINC001053874165 767100358 /nfs/dbraw/zinc/10/03/58/767100358.db2.gz SSFRJLSETJKAOT-LSDHHAIUSA-N 1 2 345.447 0.766 20 30 ECEDLO Cn1ncc(C[N@@H+]2CC[C@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)n1 ZINC001042018391 782608848 /nfs/dbraw/zinc/60/88/48/782608848.db2.gz IWHIWAOQPBCTRG-BLLLJJGKSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1ncc(C[N@H+]2CC[C@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)n1 ZINC001042018391 782608853 /nfs/dbraw/zinc/60/88/53/782608853.db2.gz IWHIWAOQPBCTRG-BLLLJJGKSA-N 1 2 339.403 0.751 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CCCNC3=O)C2)cc1F ZINC001031748937 767142061 /nfs/dbraw/zinc/14/20/61/767142061.db2.gz LBVXVEQLKFBAIS-HNNXBMFYSA-N 1 2 344.390 0.772 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c[nH]nc1[C@H]1CCOC1)CO2 ZINC001053881557 767150549 /nfs/dbraw/zinc/15/05/49/767150549.db2.gz LXZWYOBONVXOOA-UONOGXRCSA-N 1 2 344.415 0.510 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CCCC(=O)N3)C2)cc1F ZINC001031755065 767155252 /nfs/dbraw/zinc/15/52/52/767155252.db2.gz ZYVCBHJIMPPRFW-MRXNPFEDSA-N 1 2 344.390 0.914 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001046359891 767167798 /nfs/dbraw/zinc/16/77/98/767167798.db2.gz LSXJOXKEUXLSDW-FZMZJTMJSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001046359891 767167799 /nfs/dbraw/zinc/16/77/99/767167799.db2.gz LSXJOXKEUXLSDW-FZMZJTMJSA-N 1 2 344.253 0.954 20 30 ECEDLO CN1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)CC1=O ZINC001031777757 767190283 /nfs/dbraw/zinc/19/02/83/767190283.db2.gz MFVWROJHAIABQE-OAHLLOKOSA-N 1 2 340.427 0.975 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1OC ZINC001212337421 767253623 /nfs/dbraw/zinc/25/36/23/767253623.db2.gz MVAXXBXIVOYAHN-CHWSQXEVSA-N 1 2 343.855 0.813 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1OC ZINC001212337421 767253625 /nfs/dbraw/zinc/25/36/25/767253625.db2.gz MVAXXBXIVOYAHN-CHWSQXEVSA-N 1 2 343.855 0.813 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001046504843 767267780 /nfs/dbraw/zinc/26/77/80/767267780.db2.gz APFKHOGJIVMVBJ-SWLSCSKDSA-N 1 2 337.811 0.699 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001046504843 767267782 /nfs/dbraw/zinc/26/77/82/767267782.db2.gz APFKHOGJIVMVBJ-SWLSCSKDSA-N 1 2 337.811 0.699 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001046543927 767294848 /nfs/dbraw/zinc/29/48/48/767294848.db2.gz RWLTYZYJCGPFAG-ZWNOBZJWSA-N 1 2 345.241 0.499 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001046543927 767294849 /nfs/dbraw/zinc/29/48/49/767294849.db2.gz RWLTYZYJCGPFAG-ZWNOBZJWSA-N 1 2 345.241 0.499 20 30 ECEDLO Cn1nnc(C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3C#N)C2)n1 ZINC001046544972 767296151 /nfs/dbraw/zinc/29/61/51/767296151.db2.gz WBBHBHGBROUORC-MRXNPFEDSA-N 1 2 325.376 0.476 20 30 ECEDLO Cn1nnc(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC001046544972 767296153 /nfs/dbraw/zinc/29/61/53/767296153.db2.gz WBBHBHGBROUORC-MRXNPFEDSA-N 1 2 325.376 0.476 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2COC3(C[NH+](C[C@H](C)OC)C3)C2)c1 ZINC001053920560 767361955 /nfs/dbraw/zinc/36/19/55/767361955.db2.gz MTKDRTKIFXPSDH-BBRMVZONSA-N 1 2 329.400 0.671 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CO2 ZINC001053933982 767394772 /nfs/dbraw/zinc/39/47/72/767394772.db2.gz CHTGRVOQKULHAK-HRCADAONSA-N 1 2 328.416 0.506 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2COC3(C[NH+](CCCF)C3)C2)nn1 ZINC001053950648 767435485 /nfs/dbraw/zinc/43/54/85/767435485.db2.gz GNRLSYNNTQRJJG-ZDUSSCGKSA-N 1 2 337.399 0.787 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2COC3(C[NH+](CCOC)C3)C2)nn1 ZINC001053951305 767436090 /nfs/dbraw/zinc/43/60/90/767436090.db2.gz UMFWGPPELVALEQ-CYBMUJFWSA-N 1 2 335.408 0.074 20 30 ECEDLO N#Cc1ccc(N2CC=C(CCNC(=O)Cc3[nH]cc[nH+]3)CC2)nn1 ZINC001089840417 767450646 /nfs/dbraw/zinc/45/06/46/767450646.db2.gz POZOPVHSFDJZMY-UHFFFAOYSA-N 1 2 337.387 0.957 20 30 ECEDLO C=CCn1cc(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccn(C)n3)C2)nn1 ZINC001046681581 767471079 /nfs/dbraw/zinc/47/10/79/767471079.db2.gz PLWKCUPNMOPSTK-MRXNPFEDSA-N 1 2 329.408 0.592 20 30 ECEDLO C=CCn1cc(C(=O)N[C@]2(C)CC[N@H+](Cc3ccn(C)n3)C2)nn1 ZINC001046681581 767471080 /nfs/dbraw/zinc/47/10/80/767471080.db2.gz PLWKCUPNMOPSTK-MRXNPFEDSA-N 1 2 329.408 0.592 20 30 ECEDLO N#Cc1cnccc1NC[C@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001106174649 767487735 /nfs/dbraw/zinc/48/77/35/767487735.db2.gz IWHQNWATGJGIMS-ZDUSSCGKSA-N 1 2 336.355 0.454 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnn3c1CCCC3)CO2 ZINC001053974472 767502121 /nfs/dbraw/zinc/50/21/21/767502121.db2.gz NQIBCRYSJGIXAW-AWEZNQCLSA-N 1 2 328.416 0.816 20 30 ECEDLO N#Cc1nccnc1NC[C@@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001106174228 767503285 /nfs/dbraw/zinc/50/32/85/767503285.db2.gz BHCQZUPKWYUTLZ-LLVKDONJSA-N 1 2 337.343 0.427 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c(OC)cc[nH]c1=O)CO2 ZINC001053984510 767532191 /nfs/dbraw/zinc/53/21/91/767532191.db2.gz YIRKKUWNTNHLMM-GFCCVEGCSA-N 1 2 331.372 0.392 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H](C[N@H+](C)Cc2nc(N(C)C)no2)C1 ZINC001017075531 767553378 /nfs/dbraw/zinc/55/33/78/767553378.db2.gz BQQCBVGQXGMERX-STQMWFEESA-N 1 2 334.424 0.966 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2nc(N(C)C)no2)C1 ZINC001017075531 767553385 /nfs/dbraw/zinc/55/33/85/767553385.db2.gz BQQCBVGQXGMERX-STQMWFEESA-N 1 2 334.424 0.966 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cncc(C(N)=O)c1)CO2 ZINC001054009880 767590970 /nfs/dbraw/zinc/59/09/70/767590970.db2.gz HHACQACXYKWVIK-AWEZNQCLSA-N 1 2 330.388 0.330 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCC(=O)N1 ZINC001054043852 767642597 /nfs/dbraw/zinc/64/25/97/767642597.db2.gz LWSYLWSFQPRQPV-IAGOWNOFSA-N 1 2 325.412 0.831 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCC(=O)N1 ZINC001054043852 767642599 /nfs/dbraw/zinc/64/25/99/767642599.db2.gz LWSYLWSFQPRQPV-IAGOWNOFSA-N 1 2 325.412 0.831 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCC(=O)NC1 ZINC001054044879 767644292 /nfs/dbraw/zinc/64/42/92/767644292.db2.gz GKAKCZIZEFTYBU-RDJZCZTQSA-N 1 2 325.412 0.689 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCC(=O)NC1 ZINC001054044879 767644298 /nfs/dbraw/zinc/64/42/98/767644298.db2.gz GKAKCZIZEFTYBU-RDJZCZTQSA-N 1 2 325.412 0.689 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccn2nnnc2c1 ZINC001054048812 767648081 /nfs/dbraw/zinc/64/80/81/767648081.db2.gz JLAFIMBSKRFIIV-KRWDZBQOSA-N 1 2 346.394 0.914 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccn2nnnc2c1 ZINC001054048812 767648083 /nfs/dbraw/zinc/64/80/83/767648083.db2.gz JLAFIMBSKRFIIV-KRWDZBQOSA-N 1 2 346.394 0.914 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001054055505 767654025 /nfs/dbraw/zinc/65/40/25/767654025.db2.gz MXJIGHOJRIMTKF-INIZCTEOSA-N 1 2 339.395 0.216 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001054055505 767654030 /nfs/dbraw/zinc/65/40/30/767654030.db2.gz MXJIGHOJRIMTKF-INIZCTEOSA-N 1 2 339.395 0.216 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1nc2ncccn2n1 ZINC001054056913 767654765 /nfs/dbraw/zinc/65/47/65/767654765.db2.gz WPICQIQTOBCSGK-INIZCTEOSA-N 1 2 346.394 0.914 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1nc2ncccn2n1 ZINC001054056913 767654770 /nfs/dbraw/zinc/65/47/70/767654770.db2.gz WPICQIQTOBCSGK-INIZCTEOSA-N 1 2 346.394 0.914 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@@]2(CC[N@H+](Cc3nnnn3C3CC3)C2)C1 ZINC001054101607 767690702 /nfs/dbraw/zinc/69/07/02/767690702.db2.gz BEMSRKHIMPGMPK-GUYCJALGSA-N 1 2 343.435 0.982 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@@]2(CC[N@@H+](Cc3nnnn3C3CC3)C2)C1 ZINC001054101607 767690706 /nfs/dbraw/zinc/69/07/06/767690706.db2.gz BEMSRKHIMPGMPK-GUYCJALGSA-N 1 2 343.435 0.982 20 30 ECEDLO C=CCCn1cc(C(=O)NC2C[NH+](CCCN3CCCC3=O)C2)nn1 ZINC001031079705 767834444 /nfs/dbraw/zinc/83/44/44/767834444.db2.gz HMCPODCQPHMQDB-UHFFFAOYSA-N 1 2 346.435 0.281 20 30 ECEDLO C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1CNCC#N ZINC001106574637 768450595 /nfs/dbraw/zinc/45/05/95/768450595.db2.gz NFQFNOJCTZAKQB-BFYDXBDKSA-N 1 2 334.464 0.837 20 30 ECEDLO C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[C@H]1CNCC#N ZINC001106574637 768450598 /nfs/dbraw/zinc/45/05/98/768450598.db2.gz NFQFNOJCTZAKQB-BFYDXBDKSA-N 1 2 334.464 0.837 20 30 ECEDLO C[C@H](CCNc1ccnc(C#N)n1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001106601901 768492400 /nfs/dbraw/zinc/49/24/00/768492400.db2.gz QXHLXUXWSVHENY-NWDGAFQWSA-N 1 2 327.392 0.679 20 30 ECEDLO C[C@H](CCNc1ccnc(C#N)n1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001106601901 768492404 /nfs/dbraw/zinc/49/24/04/768492404.db2.gz QXHLXUXWSVHENY-NWDGAFQWSA-N 1 2 327.392 0.679 20 30 ECEDLO C[C@@H](CCNc1ccnc(C#N)n1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001106624987 768518878 /nfs/dbraw/zinc/51/88/78/768518878.db2.gz FWERMZLWMDOILP-QJPTWQEYSA-N 1 2 325.376 0.604 20 30 ECEDLO C[C@@H](CCNc1ccnc(C#N)n1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001106624987 768518881 /nfs/dbraw/zinc/51/88/81/768518881.db2.gz FWERMZLWMDOILP-QJPTWQEYSA-N 1 2 325.376 0.604 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2CC(C)(C)C2)[C@H](OC)C1 ZINC001212206020 768637683 /nfs/dbraw/zinc/63/76/83/768637683.db2.gz FATKEMMYWHCOKQ-BPLDGKMQSA-N 1 2 337.464 0.929 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC(C)(C)C2)[C@H](OC)C1 ZINC001212206020 768637691 /nfs/dbraw/zinc/63/76/91/768637691.db2.gz FATKEMMYWHCOKQ-BPLDGKMQSA-N 1 2 337.464 0.929 20 30 ECEDLO C[C@H]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cn1cc[nH+]c1 ZINC001018071281 768685616 /nfs/dbraw/zinc/68/56/16/768685616.db2.gz RHERWDXWQOLFAC-JSGCOSHPSA-N 1 2 340.387 0.892 20 30 ECEDLO C=CCOCC(=O)N1C[C@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@H]2C1 ZINC001055250599 768709385 /nfs/dbraw/zinc/70/93/85/768709385.db2.gz GGQPEGWUUINZFH-OAGGEKHMSA-N 1 2 346.431 0.954 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1c(C)cc(C)nc1=O ZINC001018107144 768735623 /nfs/dbraw/zinc/73/56/23/768735623.db2.gz KHOGOIARZYJGHT-IYBDPMFKSA-N 1 2 328.416 0.559 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1c(C)cc(C)nc1=O ZINC001018107144 768735624 /nfs/dbraw/zinc/73/56/24/768735624.db2.gz KHOGOIARZYJGHT-IYBDPMFKSA-N 1 2 328.416 0.559 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3nn(CC)nc3C)C2)nn1 ZINC001098795627 769115649 /nfs/dbraw/zinc/11/56/49/769115649.db2.gz CDZFQAGQHBNKEC-AWEZNQCLSA-N 1 2 342.407 0.008 20 30 ECEDLO C=CCCCC(=O)NCC[NH+]1CCC(NC(=O)c2nc[nH]n2)CC1 ZINC001055626629 769294184 /nfs/dbraw/zinc/29/41/84/769294184.db2.gz ZXEBVCRFDBQISO-UHFFFAOYSA-N 1 2 334.424 0.471 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC000993629604 769442692 /nfs/dbraw/zinc/44/26/92/769442692.db2.gz COFTZPHXOFQPQF-DMDPSCGWSA-N 1 2 341.375 0.027 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC2(CN(C(C)=O)C2)n2ccnc21 ZINC000993666270 769450646 /nfs/dbraw/zinc/45/06/46/769450646.db2.gz VIHMODNTRDUCLR-CABCVRRESA-N 1 2 341.415 0.099 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC2(CN(C(C)=O)C2)n2ccnc21 ZINC000993666270 769450651 /nfs/dbraw/zinc/45/06/51/769450651.db2.gz VIHMODNTRDUCLR-CABCVRRESA-N 1 2 341.415 0.099 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001078357953 782765293 /nfs/dbraw/zinc/76/52/93/782765293.db2.gz FQSKKWIBCWZGOO-AAEUAGOBSA-N 1 2 333.392 0.814 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2nc(C3CC3)no2)C1 ZINC001078358259 782767185 /nfs/dbraw/zinc/76/71/85/782767185.db2.gz MZGMTFUVOIIUHC-AAEUAGOBSA-N 1 2 333.392 0.814 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2nc(CC3CC3)no2)C1 ZINC001078358709 782769664 /nfs/dbraw/zinc/76/96/64/782769664.db2.gz VADMYBSSXYSTQZ-OCCSQVGLSA-N 1 2 347.419 0.889 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)C(F)C(F)(F)F)C2)CC1 ZINC000993855260 769762447 /nfs/dbraw/zinc/76/24/47/769762447.db2.gz NEJANTXXNXUBRY-GFCCVEGCSA-N 1 2 349.328 0.559 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)[C@@H](F)C(F)(F)F)C2)CC1 ZINC000993855260 769762495 /nfs/dbraw/zinc/76/24/95/769762495.db2.gz NEJANTXXNXUBRY-GFCCVEGCSA-N 1 2 349.328 0.559 20 30 ECEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H]1C ZINC000994005176 769994362 /nfs/dbraw/zinc/99/43/62/769994362.db2.gz HFSRQPAGVPDHOT-WCQYABFASA-N 1 2 330.392 0.226 20 30 ECEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H]1C ZINC000994005176 769994369 /nfs/dbraw/zinc/99/43/69/769994369.db2.gz HFSRQPAGVPDHOT-WCQYABFASA-N 1 2 330.392 0.226 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cc(CC)n(C)n3)C2)nn1 ZINC001098796527 770250584 /nfs/dbraw/zinc/25/05/84/770250584.db2.gz KXTYCLVTLRCOIC-HNNXBMFYSA-N 1 2 341.419 0.384 20 30 ECEDLO C=CCn1cccc1C(=O)NC1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000994197923 770288552 /nfs/dbraw/zinc/28/85/52/770288552.db2.gz MNTSFEDLBTYPQD-UHFFFAOYSA-N 1 2 327.388 0.902 20 30 ECEDLO C=CCn1cccc1C(=O)NC1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000994199488 770290083 /nfs/dbraw/zinc/29/00/83/770290083.db2.gz WRQLCWKYPZOUSV-UHFFFAOYSA-N 1 2 341.415 0.981 20 30 ECEDLO N#Cc1nccnc1N1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001055940055 770297604 /nfs/dbraw/zinc/29/76/04/770297604.db2.gz CXLIAMNHIHWHNW-ZDUSSCGKSA-N 1 2 337.387 0.456 20 30 ECEDLO N#Cc1cncc(N2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC2)n1 ZINC001055940508 770300118 /nfs/dbraw/zinc/30/01/18/770300118.db2.gz NZILNZKNRQGYAG-CYBMUJFWSA-N 1 2 337.387 0.456 20 30 ECEDLO N#Cc1nccc(N2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)n1 ZINC001055941118 770301513 /nfs/dbraw/zinc/30/15/13/770301513.db2.gz YXCDBPJVWJDOBB-CYBMUJFWSA-N 1 2 337.387 0.456 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC3CC3)[C@@H]2C)cn1 ZINC000994247912 770422399 /nfs/dbraw/zinc/42/23/99/770422399.db2.gz HALTYUSLELUSQG-CXAGYDPISA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NC3CC3)[C@@H]2C)cn1 ZINC000994247912 770422403 /nfs/dbraw/zinc/42/24/03/770422403.db2.gz HALTYUSLELUSQG-CXAGYDPISA-N 1 2 340.427 0.924 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC[C@](CO)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001056019215 770569274 /nfs/dbraw/zinc/56/92/74/770569274.db2.gz FMGFDFPPLFFFHY-SFHVURJKSA-N 1 2 348.447 0.645 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@@H]2O)CC1 ZINC001083750135 770586028 /nfs/dbraw/zinc/58/60/28/770586028.db2.gz HKDFEPLLYBLZCZ-SJORKVTESA-N 1 2 349.475 0.907 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@@H]2O)CC1 ZINC001083750135 770586034 /nfs/dbraw/zinc/58/60/34/770586034.db2.gz HKDFEPLLYBLZCZ-SJORKVTESA-N 1 2 349.475 0.907 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(c2cncc(C#N)n2)CC1 ZINC001056046641 770665517 /nfs/dbraw/zinc/66/55/17/770665517.db2.gz VCWRAZFAZIHRNN-GFCCVEGCSA-N 1 2 325.376 0.599 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2cncc(C#N)n2)CC1 ZINC001056046641 770665522 /nfs/dbraw/zinc/66/55/22/770665522.db2.gz VCWRAZFAZIHRNN-GFCCVEGCSA-N 1 2 325.376 0.599 20 30 ECEDLO Cn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)[nH]c1=O ZINC001083753232 770823400 /nfs/dbraw/zinc/82/34/00/770823400.db2.gz IICDLDSBJJGAOK-YPMHNXCESA-N 1 2 347.400 0.034 20 30 ECEDLO Cn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)[nH]c1=O ZINC001083753232 770823414 /nfs/dbraw/zinc/82/34/14/770823414.db2.gz IICDLDSBJJGAOK-YPMHNXCESA-N 1 2 347.400 0.034 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC001019135591 770894787 /nfs/dbraw/zinc/89/47/87/770894787.db2.gz BHDKAGPREOTBRF-ZIAGYGMSSA-N 1 2 341.415 0.666 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N1CC2(C1)CCN(C(=O)[C@@H](C)C#N)C2 ZINC001019149012 770929929 /nfs/dbraw/zinc/92/99/29/770929929.db2.gz JOQYWNASDFGHQE-ZDUSSCGKSA-N 1 2 342.399 0.853 20 30 ECEDLO C=C(C)CCC(=O)N1CCC[C@@](CO)(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001056163140 770968900 /nfs/dbraw/zinc/96/89/00/770968900.db2.gz JIUQPFLVTANSBV-QGZVFWFLSA-N 1 2 334.420 0.778 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC001056304979 771097529 /nfs/dbraw/zinc/09/75/29/771097529.db2.gz AYDDKQHKLKNFCQ-HUUCEWRRSA-N 1 2 332.404 0.678 20 30 ECEDLO N#Cc1cnc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCc3[nH+]ccn3C2)cn1 ZINC001056330087 771135799 /nfs/dbraw/zinc/13/57/99/771135799.db2.gz IRTIERAHKYPYTK-HVOFVXBASA-N 1 2 349.398 0.358 20 30 ECEDLO CC(=O)Nc1nc(C[NH2+]CCNC(=O)CSCC#N)cs1 ZINC001123798933 771144820 /nfs/dbraw/zinc/14/48/20/771144820.db2.gz FTFJFFKNGIKTIU-UHFFFAOYSA-N 1 2 327.435 0.564 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@H]1CCc3[nH+]ccn3C1)C2 ZINC001019367276 771212194 /nfs/dbraw/zinc/21/21/94/771212194.db2.gz UTLPKSLWDLYAGX-KGLIPLIRSA-N 1 2 341.415 0.666 20 30 ECEDLO CC(C)C#CC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001056390750 771214601 /nfs/dbraw/zinc/21/46/01/771214601.db2.gz WGAJKOXODWUBOU-IKGGRYGDSA-N 1 2 347.459 0.568 20 30 ECEDLO CC(C)C#CC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001056390750 771214605 /nfs/dbraw/zinc/21/46/05/771214605.db2.gz WGAJKOXODWUBOU-IKGGRYGDSA-N 1 2 347.459 0.568 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056401431 771226411 /nfs/dbraw/zinc/22/64/11/771226411.db2.gz GLOUIGQXIYPXBH-BMFZPTHFSA-N 1 2 344.415 0.582 20 30 ECEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3COCCO3)C2)ccc1F ZINC001031555288 771271739 /nfs/dbraw/zinc/27/17/39/771271739.db2.gz PWTCJRKOLHHWNP-MRXNPFEDSA-N 1 2 333.363 0.661 20 30 ECEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@@H]3COCCO3)C2)c1 ZINC001031553862 771273813 /nfs/dbraw/zinc/27/38/13/771273813.db2.gz FEFQBUUNJNUUMD-INIZCTEOSA-N 1 2 333.363 0.661 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001056456056 771287176 /nfs/dbraw/zinc/28/71/76/771287176.db2.gz LPODBJLKMJNACH-VKJFTORMSA-N 1 2 346.431 0.802 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001056456053 771287230 /nfs/dbraw/zinc/28/72/30/771287230.db2.gz LPODBJLKMJNACH-DAYGRLMNSA-N 1 2 346.431 0.802 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCc4[nH+]ccn4C3)C2)[nH]1 ZINC000994604244 771290106 /nfs/dbraw/zinc/29/01/06/771290106.db2.gz FOIRBLLGAHEUHY-NSHDSACASA-N 1 2 338.371 0.286 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001056630460 771448839 /nfs/dbraw/zinc/44/88/39/771448839.db2.gz FTCWPHOWFZNHAN-UONOGXRCSA-N 1 2 332.404 0.604 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001056637276 771454771 /nfs/dbraw/zinc/45/47/71/771454771.db2.gz SRWNYXFJNBOJJU-BBWFWOEESA-N 1 2 347.459 0.426 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001056637276 771454774 /nfs/dbraw/zinc/45/47/74/771454774.db2.gz SRWNYXFJNBOJJU-BBWFWOEESA-N 1 2 347.459 0.426 20 30 ECEDLO C[C@H]1CCCN(C(=O)C[NH+]2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001031620269 771473533 /nfs/dbraw/zinc/47/35/33/771473533.db2.gz FVHIKBDUQNESNE-ZDUSSCGKSA-N 1 2 343.431 0.806 20 30 ECEDLO N#Cc1ccc(N[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)nn1 ZINC001056725692 771560909 /nfs/dbraw/zinc/56/09/09/771560909.db2.gz ASPUSRAQQODLIF-GXTWGEPZSA-N 1 2 337.387 0.820 20 30 ECEDLO C[C@H](CC(=O)N1CC[C@@H](Nc2ccnc(C#N)n2)C1)n1cc[nH+]c1 ZINC001056793103 771648867 /nfs/dbraw/zinc/64/88/67/771648867.db2.gz UGTWPOLXIAUBPJ-CHWSQXEVSA-N 1 2 325.376 0.631 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC001019907432 772006848 /nfs/dbraw/zinc/00/68/48/772006848.db2.gz CRECSVDOJOBAJX-LSDHHAIUSA-N 1 2 346.431 0.993 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001019908803 772009885 /nfs/dbraw/zinc/00/98/85/772009885.db2.gz VLSNIRYDKOEWLF-HUUCEWRRSA-N 1 2 346.431 0.924 20 30 ECEDLO C#CCCCCC(=O)N(CCO)CCNC(=O)CCCn1cc[nH+]c1 ZINC001057390512 772559204 /nfs/dbraw/zinc/55/92/04/772559204.db2.gz CZDJLAZIKLKYEG-UHFFFAOYSA-N 1 2 348.447 0.794 20 30 ECEDLO C[C@@H](CC(=O)NCCN(CCO)C(=O)C#CC1CC1)n1cc[nH+]c1 ZINC001057536277 772731708 /nfs/dbraw/zinc/73/17/08/772731708.db2.gz QTRYXRPBFFQSRE-AWEZNQCLSA-N 1 2 332.404 0.185 20 30 ECEDLO N#Cc1nccc(N[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC001057773124 772974332 /nfs/dbraw/zinc/97/43/32/772974332.db2.gz CGGHGHWUXTWGPT-JHJVBQTASA-N 1 2 337.387 0.700 20 30 ECEDLO N#Cc1nccc(N[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)n1 ZINC001057773124 772974333 /nfs/dbraw/zinc/97/43/33/772974333.db2.gz CGGHGHWUXTWGPT-JHJVBQTASA-N 1 2 337.387 0.700 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)CCc1c[nH]c[nH+]1 ZINC001057901114 773157279 /nfs/dbraw/zinc/15/72/79/773157279.db2.gz HCVCIHXNMCPYQL-CQSZACIVSA-N 1 2 336.436 0.882 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)CCc1c[nH+]c[nH]1 ZINC001057901114 773157283 /nfs/dbraw/zinc/15/72/83/773157283.db2.gz HCVCIHXNMCPYQL-CQSZACIVSA-N 1 2 336.436 0.882 20 30 ECEDLO CN(C(=O)Cc1c[nH+]cn1C)C1CCN(c2nccnc2C#N)CC1 ZINC001058059775 773452010 /nfs/dbraw/zinc/45/20/10/773452010.db2.gz WRKBGGOJJGXENT-UHFFFAOYSA-N 1 2 339.403 0.752 20 30 ECEDLO C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)Cc1c[nH+]cn1C ZINC001058158191 773660397 /nfs/dbraw/zinc/66/03/97/773660397.db2.gz RUDWVKBNLAKZSU-UHFFFAOYSA-N 1 2 336.436 0.502 20 30 ECEDLO C#CCCCCC(=O)NCCN(CCO)C(=O)Cc1c[nH+]cn1C ZINC001058159230 773662279 /nfs/dbraw/zinc/66/22/79/773662279.db2.gz BEQJWRJAGWPTFH-UHFFFAOYSA-N 1 2 334.420 0.093 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)Cc1c[nH+]cn1C ZINC001058159558 773663352 /nfs/dbraw/zinc/66/33/52/773663352.db2.gz NVEIDZRSQPIUMO-KGLIPLIRSA-N 1 2 336.436 0.358 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NC[C@]1(O)CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001040628853 783133074 /nfs/dbraw/zinc/13/30/74/783133074.db2.gz CKNIKAWINZMWER-KBXCAEBGSA-N 1 2 348.447 0.943 20 30 ECEDLO N#Cc1ccc(N2CC[C@H](NC(=O)[C@H]3CCn4cc[nH+]c4C3)C2)nn1 ZINC001058481155 774271550 /nfs/dbraw/zinc/27/15/50/774271550.db2.gz KRUHCMKPLVDXOF-JSGCOSHPSA-N 1 2 337.387 0.502 20 30 ECEDLO C=CC[NH2+][C@@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H](C)C1 ZINC001044778567 774602236 /nfs/dbraw/zinc/60/22/36/774602236.db2.gz ZQERHLWHERMUIF-NWDGAFQWSA-N 1 2 330.392 0.226 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1C[NH+](C[C@@H]2CCc3ncnn32)C1 ZINC001044037609 775561409 /nfs/dbraw/zinc/56/14/09/775561409.db2.gz LHVAZYBNIADERO-QRTARXTBSA-N 1 2 345.447 0.889 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(c2cc(C)ncc2C#N)C[C@@H]1O ZINC001044101541 775700429 /nfs/dbraw/zinc/70/04/29/775700429.db2.gz ZNSZTTVJVBBWEC-ZBFHGGJFSA-N 1 2 340.387 0.202 20 30 ECEDLO CC#CCCCC(=O)N1CC(O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001044140790 775775895 /nfs/dbraw/zinc/77/58/95/775775895.db2.gz DEZQOPJBLYKKQY-UHFFFAOYSA-N 1 2 332.404 0.156 20 30 ECEDLO CC(C)C[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1)n1cc[nH+]c1 ZINC001045552992 775784848 /nfs/dbraw/zinc/78/48/48/775784848.db2.gz ZBHXBWOQDGCHLB-KBPBESRZSA-N 1 2 347.419 0.319 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C(C)C)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001070031716 790391568 /nfs/dbraw/zinc/39/15/68/790391568.db2.gz NZNKYTLUNMDTAI-CABCVRRESA-N 1 2 327.392 0.413 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(C)C)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001070031716 790391579 /nfs/dbraw/zinc/39/15/79/790391579.db2.gz NZNKYTLUNMDTAI-CABCVRRESA-N 1 2 327.392 0.413 20 30 ECEDLO Cc1cc(C#N)nc(NC[C@H]2C[C@H](NC(=O)Cc3c[nH+]cn3C)C2)n1 ZINC001068506261 790435418 /nfs/dbraw/zinc/43/54/18/790435418.db2.gz DZXNUTRCJANVKS-JOCQHMNTSA-N 1 2 339.403 0.940 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001044714296 776684828 /nfs/dbraw/zinc/68/48/28/776684828.db2.gz HAPFXPPRZUCYPT-CQSZACIVSA-N 1 2 348.447 0.645 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnn(CC)c2C)[C@@H](n2ccnn2)C1 ZINC001070061664 790480124 /nfs/dbraw/zinc/48/01/24/790480124.db2.gz QTLMDMUXGVFLDS-CABCVRRESA-N 1 2 327.392 0.091 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC)c2C)[C@@H](n2ccnn2)C1 ZINC001070061664 790480130 /nfs/dbraw/zinc/48/01/30/790480130.db2.gz QTLMDMUXGVFLDS-CABCVRRESA-N 1 2 327.392 0.091 20 30 ECEDLO C#CCOCCC(=O)N(CC)C1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001079772118 776837938 /nfs/dbraw/zinc/83/79/38/776837938.db2.gz HBBDGMOROAAEKC-UHFFFAOYSA-N 1 2 346.431 0.452 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001079776250 776849942 /nfs/dbraw/zinc/84/99/42/776849942.db2.gz DSMVPWNDMKSGEX-CYBMUJFWSA-N 1 2 332.404 0.358 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnn(CC(C)C)c2)[C@@H](n2ccnn2)C1 ZINC001070064476 790487243 /nfs/dbraw/zinc/48/72/43/790487243.db2.gz TZTWWDMQJHDRJW-CVEARBPZSA-N 1 2 341.419 0.419 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC(C)C)c2)[C@@H](n2ccnn2)C1 ZINC001070064476 790487247 /nfs/dbraw/zinc/48/72/47/790487247.db2.gz TZTWWDMQJHDRJW-CVEARBPZSA-N 1 2 341.419 0.419 20 30 ECEDLO C=CCCC(=O)NC[C@@H]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)O1 ZINC001068537661 790510524 /nfs/dbraw/zinc/51/05/24/790510524.db2.gz JUDDBNMKMDZKSG-ZDUSSCGKSA-N 1 2 332.404 0.795 20 30 ECEDLO CCN(C(=O)Cc1c[nH+]ccc1OC)C1CN(C(=O)[C@H](C)C#N)C1 ZINC001080015427 777233998 /nfs/dbraw/zinc/23/39/98/777233998.db2.gz KXIMXGRRMCCYOR-GFCCVEGCSA-N 1 2 330.388 0.852 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cn[nH]n3)C2)cc1C#N ZINC001080018967 777241477 /nfs/dbraw/zinc/24/14/77/777241477.db2.gz UTECRILJTQZXDO-IAQYHMDHSA-N 1 2 340.387 0.935 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)c3cn[nH]n3)C2)cc1C#N ZINC001080018967 777241484 /nfs/dbraw/zinc/24/14/84/777241484.db2.gz UTECRILJTQZXDO-IAQYHMDHSA-N 1 2 340.387 0.935 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cnn[nH]3)C2)cc1C#N ZINC001080018967 777241491 /nfs/dbraw/zinc/24/14/91/777241491.db2.gz UTECRILJTQZXDO-IAQYHMDHSA-N 1 2 340.387 0.935 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)c3cnn[nH]3)C2)cc1C#N ZINC001080018967 777241499 /nfs/dbraw/zinc/24/14/99/777241499.db2.gz UTECRILJTQZXDO-IAQYHMDHSA-N 1 2 340.387 0.935 20 30 ECEDLO CCN(C(=O)Cc1[nH]c[nH+]c1C)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001080198295 777541284 /nfs/dbraw/zinc/54/12/84/777541284.db2.gz FPEXGLLWOMCOMP-UHFFFAOYSA-N 1 2 340.387 0.834 20 30 ECEDLO CCN(C(=O)CCc1[nH+]ccn1C)C1CN(C(=O)CSCC#N)C1 ZINC001080240249 777593232 /nfs/dbraw/zinc/59/32/32/777593232.db2.gz GQFMQQATZVOUMR-UHFFFAOYSA-N 1 2 349.460 0.669 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001080260549 777621287 /nfs/dbraw/zinc/62/12/87/777621287.db2.gz VHZXHYPFIXFQQS-DVVUODLYSA-N 1 2 330.226 0.468 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001080260549 777621292 /nfs/dbraw/zinc/62/12/92/777621292.db2.gz VHZXHYPFIXFQQS-DVVUODLYSA-N 1 2 330.226 0.468 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cn3ccccc3n2)[C@@H](n2ccnn2)C1 ZINC001070086659 790557445 /nfs/dbraw/zinc/55/74/45/790557445.db2.gz GQJLVZOISNJMME-HIFRSBDPSA-N 1 2 335.371 0.214 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn3ccccc3n2)[C@@H](n2ccnn2)C1 ZINC001070086659 790557452 /nfs/dbraw/zinc/55/74/52/790557452.db2.gz GQJLVZOISNJMME-HIFRSBDPSA-N 1 2 335.371 0.214 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001043096397 777719295 /nfs/dbraw/zinc/71/92/95/777719295.db2.gz YXXVPOFKCSLGBR-LALPHHSUSA-N 1 2 328.420 0.883 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001043096397 777719296 /nfs/dbraw/zinc/71/92/96/777719296.db2.gz YXXVPOFKCSLGBR-LALPHHSUSA-N 1 2 328.420 0.883 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001080472319 777906335 /nfs/dbraw/zinc/90/63/35/777906335.db2.gz OSNSPRNQPPKKPB-SYQHCUMBSA-N 1 2 330.450 0.059 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001080472319 777906342 /nfs/dbraw/zinc/90/63/42/777906342.db2.gz OSNSPRNQPPKKPB-SYQHCUMBSA-N 1 2 330.450 0.059 20 30 ECEDLO C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001043187881 777913337 /nfs/dbraw/zinc/91/33/37/777913337.db2.gz XMMOZZVFSGNVLJ-UHFFFAOYSA-N 1 2 332.404 0.410 20 30 ECEDLO O=C(C#CC1CC1)NCC1(NC(=O)CCc2[nH]cc[nH+]2)CCOCC1 ZINC001070094128 790580012 /nfs/dbraw/zinc/58/00/12/790580012.db2.gz ALNUMRYDNZYPNH-UHFFFAOYSA-N 1 2 344.415 0.537 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(N(C)C)cn2)[C@@H](n2ccnn2)C1 ZINC001070108310 790629439 /nfs/dbraw/zinc/62/94/39/790629439.db2.gz WICHJNWAEPNRRW-CVEARBPZSA-N 1 2 339.403 0.028 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(N(C)C)cn2)[C@@H](n2ccnn2)C1 ZINC001070108310 790629443 /nfs/dbraw/zinc/62/94/43/790629443.db2.gz WICHJNWAEPNRRW-CVEARBPZSA-N 1 2 339.403 0.028 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CCC(C)C)C1 ZINC001043649075 778665360 /nfs/dbraw/zinc/66/53/60/778665360.db2.gz LASHPFNHTGDENA-HNNXBMFYSA-N 1 2 335.448 0.210 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CCC(C)C)C1 ZINC001043649075 778665364 /nfs/dbraw/zinc/66/53/64/778665364.db2.gz LASHPFNHTGDENA-HNNXBMFYSA-N 1 2 335.448 0.210 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C2CCCCC2)C1 ZINC001043651115 778668923 /nfs/dbraw/zinc/66/89/23/778668923.db2.gz ZOVHGKPKYDXOOI-INIZCTEOSA-N 1 2 347.459 0.354 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C2CCCCC2)C1 ZINC001043651115 778668925 /nfs/dbraw/zinc/66/89/25/778668925.db2.gz ZOVHGKPKYDXOOI-INIZCTEOSA-N 1 2 347.459 0.354 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC2(C)C)C1 ZINC001043652128 778671251 /nfs/dbraw/zinc/67/12/51/778671251.db2.gz SBAQIYYNERIEDJ-GJZGRUSLSA-N 1 2 347.459 0.210 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC2(C)C)C1 ZINC001043652128 778671256 /nfs/dbraw/zinc/67/12/56/778671256.db2.gz SBAQIYYNERIEDJ-GJZGRUSLSA-N 1 2 347.459 0.210 20 30 ECEDLO C#CCCCC(=O)N1CC(O)(CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001043669102 778691071 /nfs/dbraw/zinc/69/10/71/778691071.db2.gz DLKRVOUCNFDTIQ-UHFFFAOYSA-N 1 2 345.399 0.126 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001043675665 778702963 /nfs/dbraw/zinc/70/29/63/778702963.db2.gz VYRADHDWUXDIPC-BFHYXJOUSA-N 1 2 346.431 0.805 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001043675665 778702968 /nfs/dbraw/zinc/70/29/68/778702968.db2.gz VYRADHDWUXDIPC-BFHYXJOUSA-N 1 2 346.431 0.805 20 30 ECEDLO N#Cc1cnccc1N1C[C@H]2OCCN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C1 ZINC001043743915 778801942 /nfs/dbraw/zinc/80/19/42/778801942.db2.gz PKIQMYDZMNMJBN-LSDHHAIUSA-N 1 2 338.371 0.335 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 ZINC001042348570 780116240 /nfs/dbraw/zinc/11/62/40/780116240.db2.gz LOEZMOKTAVSPSV-NEPJUHHUSA-N 1 2 349.822 0.864 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 ZINC001042348570 780116249 /nfs/dbraw/zinc/11/62/49/780116249.db2.gz LOEZMOKTAVSPSV-NEPJUHHUSA-N 1 2 349.822 0.864 20 30 ECEDLO Cn1nnc(C[NH2+][C@@H]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C23CCC3)n1 ZINC001078599205 780199337 /nfs/dbraw/zinc/19/93/37/780199337.db2.gz QEJUKQDLKYOBMM-OLZOCXBDSA-N 1 2 340.391 0.241 20 30 ECEDLO C=CCCC(=O)N1CC2(C1)CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)O2 ZINC001068639864 790772936 /nfs/dbraw/zinc/77/29/36/790772936.db2.gz GSQDXDMYHWZEPC-AWEZNQCLSA-N 1 2 332.404 0.795 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001078755949 780448065 /nfs/dbraw/zinc/44/80/65/780448065.db2.gz DYUYCFFMWPKDLS-WFASDCNBSA-N 1 2 349.435 0.434 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001079045247 780720459 /nfs/dbraw/zinc/72/04/59/780720459.db2.gz BORVQYWUAZLVFO-OAHLLOKOSA-N 1 2 346.431 0.832 20 30 ECEDLO C[C@H](C#N)C(=O)N(C)[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001079061700 780735018 /nfs/dbraw/zinc/73/50/18/780735018.db2.gz JKGRKOKIJYWANT-ZIAGYGMSSA-N 1 2 331.420 0.962 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnnn2C)C1 ZINC001079134594 780797537 /nfs/dbraw/zinc/79/75/37/780797537.db2.gz HKNHHVMJQRQSRG-IAGOWNOFSA-N 1 2 339.399 0.136 20 30 ECEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnnn2C)C1 ZINC001079134594 780797543 /nfs/dbraw/zinc/79/75/43/780797543.db2.gz HKNHHVMJQRQSRG-IAGOWNOFSA-N 1 2 339.399 0.136 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001042827988 780900852 /nfs/dbraw/zinc/90/08/52/780900852.db2.gz IEYYAZJLFBACJJ-ZDUSSCGKSA-N 1 2 334.420 0.634 20 30 ECEDLO CO[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001042850312 780942546 /nfs/dbraw/zinc/94/25/46/780942546.db2.gz CGCCVPOGFZNRKK-GDBMZVCRSA-N 1 2 343.362 0.914 20 30 ECEDLO CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001042987541 781142602 /nfs/dbraw/zinc/14/26/02/781142602.db2.gz USIRUEKMDFCXBU-HUUCEWRRSA-N 1 2 326.360 0.239 20 30 ECEDLO C=CCOCC(=O)N(CC)C1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001079491347 781177193 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784891923 /nfs/dbraw/zinc/89/19/23/784891923.db2.gz DEUZOBJPAKLPKW-HNNXBMFYSA-N 1 2 343.431 0.192 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@@H](OC)C(C)C)C2)C(=O)C1 ZINC001071272359 784906788 /nfs/dbraw/zinc/90/67/88/784906788.db2.gz MNRPVUFWNWQGHB-WMZOPIPTSA-N 1 2 349.475 0.816 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@@H](OC)C(C)C)C2)C(=O)C1 ZINC001071272359 784906792 /nfs/dbraw/zinc/90/67/92/784906792.db2.gz MNRPVUFWNWQGHB-WMZOPIPTSA-N 1 2 349.475 0.816 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3ccnnc3)C2)C(=O)C1 ZINC001071273846 784910532 /nfs/dbraw/zinc/91/05/32/784910532.db2.gz JBEDMYWCJOBTLV-MRXNPFEDSA-N 1 2 341.415 0.249 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3ccnnc3)C2)C(=O)C1 ZINC001071273846 784910535 /nfs/dbraw/zinc/91/05/35/784910535.db2.gz JBEDMYWCJOBTLV-MRXNPFEDSA-N 1 2 341.415 0.249 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)C(=O)C1 ZINC001071274215 784911748 /nfs/dbraw/zinc/91/17/48/784911748.db2.gz SNCYTLQCUYQAOH-BRWVUGGUSA-N 1 2 347.459 0.712 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)C(=O)C1 ZINC001071274215 784911751 /nfs/dbraw/zinc/91/17/51/784911751.db2.gz SNCYTLQCUYQAOH-BRWVUGGUSA-N 1 2 347.459 0.712 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(=O)N3CCC3)C2)nn1 ZINC001071879274 785261915 /nfs/dbraw/zinc/26/19/15/785261915.db2.gz AZLFWHLLYWZLFD-ZIAGYGMSSA-N 1 2 346.435 0.279 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(=O)N3CCC3)C2)nn1 ZINC001071879274 785261922 /nfs/dbraw/zinc/26/19/22/785261922.db2.gz AZLFWHLLYWZLFD-ZIAGYGMSSA-N 1 2 346.435 0.279 20 30 ECEDLO C[C@H]1CC[C@H](NC(=O)c2nnn(C)n2)C[N@@H+]1Cc1ccc(C#N)s1 ZINC001071743569 785623520 /nfs/dbraw/zinc/62/35/20/785623520.db2.gz APTOTNSTKDUHDW-QWRGUYRKSA-N 1 2 345.432 0.926 20 30 ECEDLO C[C@H]1CC[C@H](NC(=O)c2nnn(C)n2)C[N@H+]1Cc1ccc(C#N)s1 ZINC001071743569 785623525 /nfs/dbraw/zinc/62/35/25/785623525.db2.gz APTOTNSTKDUHDW-QWRGUYRKSA-N 1 2 345.432 0.926 20 30 ECEDLO C#CCOCCC(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001072100972 785670227 /nfs/dbraw/zinc/67/02/27/785670227.db2.gz LNESZXBCHFMWNQ-IUODEOHRSA-N 1 2 332.404 0.264 20 30 ECEDLO C=CCCOCC(=O)N1C[C@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001072336742 786042062 /nfs/dbraw/zinc/04/20/62/786042062.db2.gz NHCHBZPSGARKGZ-GOEBONIOSA-N 1 2 348.447 0.909 20 30 ECEDLO C=CCCOCC(=O)N[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001072510269 786302186 /nfs/dbraw/zinc/30/21/86/786302186.db2.gz LDHNVTRSKGKTHP-LSDHHAIUSA-N 1 2 348.447 0.909 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1NC(=O)CSCC#N ZINC001072510778 786302819 /nfs/dbraw/zinc/30/28/19/786302819.db2.gz RQOIJGJJNTYIKO-CHWSQXEVSA-N 1 2 349.460 0.573 20 30 ECEDLO Cn1nccc1CC[N@@H+]1CCO[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 ZINC001074237307 786481132 /nfs/dbraw/zinc/48/11/32/786481132.db2.gz XEFIMEOFGZXZMW-MSOLQXFVSA-N 1 2 342.443 0.678 20 30 ECEDLO Cn1nccc1CC[N@H+]1CCO[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 ZINC001074237307 786481134 /nfs/dbraw/zinc/48/11/34/786481134.db2.gz XEFIMEOFGZXZMW-MSOLQXFVSA-N 1 2 342.443 0.678 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001074263872 786540323 /nfs/dbraw/zinc/54/03/23/786540323.db2.gz QFDJMXDTGBVZCF-AAEUAGOBSA-N 1 2 335.433 0.562 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@@H]21 ZINC001074274685 786565690 /nfs/dbraw/zinc/56/56/90/786565690.db2.gz VTBBYWIKUODWLD-GJZGRUSLSA-N 1 2 346.431 0.878 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@@H]21 ZINC001074274685 786565695 /nfs/dbraw/zinc/56/56/95/786565695.db2.gz VTBBYWIKUODWLD-GJZGRUSLSA-N 1 2 346.431 0.878 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3nc(C)cc3C)C[C@H]21 ZINC001074292533 786610266 /nfs/dbraw/zinc/61/02/66/786610266.db2.gz XBTMPHPIIFMWFE-IAGOWNOFSA-N 1 2 330.432 0.825 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3nc(C)cc3C)C[C@H]21 ZINC001074292533 786610271 /nfs/dbraw/zinc/61/02/71/786610271.db2.gz XBTMPHPIIFMWFE-IAGOWNOFSA-N 1 2 330.432 0.825 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@H]21 ZINC001074294556 786615702 /nfs/dbraw/zinc/61/57/02/786615702.db2.gz PGUVOPZZBLACLT-CVEARBPZSA-N 1 2 344.415 0.604 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@H]21 ZINC001074294556 786615706 /nfs/dbraw/zinc/61/57/06/786615706.db2.gz PGUVOPZZBLACLT-CVEARBPZSA-N 1 2 344.415 0.604 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001073572267 786644798 /nfs/dbraw/zinc/64/47/98/786644798.db2.gz VVMRCGXISQDNGB-OLZOCXBDSA-N 1 2 329.828 0.472 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001073572267 786644804 /nfs/dbraw/zinc/64/48/04/786644804.db2.gz VVMRCGXISQDNGB-OLZOCXBDSA-N 1 2 329.828 0.472 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3cn(C)nc3C)C[C@@H]21 ZINC001074351793 786734532 /nfs/dbraw/zinc/73/45/32/786734532.db2.gz UDQCELPJEUPXTL-ZWKOTPCHSA-N 1 2 344.459 0.986 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3cn(C)nc3C)C[C@@H]21 ZINC001074351793 786734540 /nfs/dbraw/zinc/73/45/40/786734540.db2.gz UDQCELPJEUPXTL-ZWKOTPCHSA-N 1 2 344.459 0.986 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)C[C@H]21 ZINC001074362506 786758233 /nfs/dbraw/zinc/75/82/33/786758233.db2.gz GKZJXNQOUOHXAT-CVEARBPZSA-N 1 2 344.415 0.202 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)C[C@H]21 ZINC001074362506 786758238 /nfs/dbraw/zinc/75/82/38/786758238.db2.gz GKZJXNQOUOHXAT-CVEARBPZSA-N 1 2 344.415 0.202 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)C[C@@H]21 ZINC001074364305 786763268 /nfs/dbraw/zinc/76/32/68/786763268.db2.gz VNBBAFPUNJNHKZ-JKSUJKDBSA-N 1 2 346.431 0.755 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)C[C@@H]21 ZINC001074364305 786763274 /nfs/dbraw/zinc/76/32/74/786763274.db2.gz VNBBAFPUNJNHKZ-JKSUJKDBSA-N 1 2 346.431 0.755 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001073629364 786809038 /nfs/dbraw/zinc/80/90/38/786809038.db2.gz AGMBUFFZOJSXGW-OLZOCXBDSA-N 1 2 329.828 0.424 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001073629364 786809048 /nfs/dbraw/zinc/80/90/48/786809048.db2.gz AGMBUFFZOJSXGW-OLZOCXBDSA-N 1 2 329.828 0.424 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC[C@H]2OCC[N@@H+](CCCO)[C@H]2C1 ZINC001074392057 786834721 /nfs/dbraw/zinc/83/47/21/786834721.db2.gz DBTXBIMXHBNHTD-RBUKOAKNSA-N 1 2 342.439 0.895 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC[C@H]2OCC[N@H+](CCCO)[C@H]2C1 ZINC001074392057 786834724 /nfs/dbraw/zinc/83/47/24/786834724.db2.gz DBTXBIMXHBNHTD-RBUKOAKNSA-N 1 2 342.439 0.895 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001073642816 786852326 /nfs/dbraw/zinc/85/23/26/786852326.db2.gz UVOLNSWHPKRNPI-LBPRGKRZSA-N 1 2 340.811 0.354 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001073642816 786852333 /nfs/dbraw/zinc/85/23/33/786852333.db2.gz UVOLNSWHPKRNPI-LBPRGKRZSA-N 1 2 340.811 0.354 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)nc3)C[C@H]21 ZINC001074419043 786924654 /nfs/dbraw/zinc/92/46/54/786924654.db2.gz DSACMXNDZMQCNQ-HZPDHXFCSA-N 1 2 342.399 0.119 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)nc3)C[C@H]21 ZINC001074419043 786924661 /nfs/dbraw/zinc/92/46/61/786924661.db2.gz DSACMXNDZMQCNQ-HZPDHXFCSA-N 1 2 342.399 0.119 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2coc(C(N)=O)c2)C1 ZINC001073706290 787014485 /nfs/dbraw/zinc/01/44/85/787014485.db2.gz NZGYJHZLHFJXDH-LBPRGKRZSA-N 1 2 341.795 0.952 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2coc(C(N)=O)c2)C1 ZINC001073706290 787014500 /nfs/dbraw/zinc/01/45/00/787014500.db2.gz NZGYJHZLHFJXDH-LBPRGKRZSA-N 1 2 341.795 0.952 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(C(N)=O)co2)C1 ZINC001073766245 787160576 /nfs/dbraw/zinc/16/05/76/787160576.db2.gz AEQDMCAMSYHPCC-LBPRGKRZSA-N 1 2 341.795 0.952 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C(N)=O)co2)C1 ZINC001073766245 787160583 /nfs/dbraw/zinc/16/05/83/787160583.db2.gz AEQDMCAMSYHPCC-LBPRGKRZSA-N 1 2 341.795 0.952 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2cn(CC)nn2)C1 ZINC001073837139 787317312 /nfs/dbraw/zinc/31/73/12/787317312.db2.gz LWHRBNFJSVJGTC-GFCCVEGCSA-N 1 2 327.816 0.871 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2cn(CC)nn2)C1 ZINC001073837139 787317323 /nfs/dbraw/zinc/31/73/23/787317323.db2.gz LWHRBNFJSVJGTC-GFCCVEGCSA-N 1 2 327.816 0.871 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NCC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001074631993 787454280 /nfs/dbraw/zinc/45/42/80/787454280.db2.gz PKFIQEUTHVRGOU-HNNXBMFYSA-N 1 2 348.447 0.955 20 30 ECEDLO C=CCCOCC(=O)N[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001074029108 787722650 /nfs/dbraw/zinc/72/26/50/787722650.db2.gz AJJRVJRJRVZLPH-UONOGXRCSA-N 1 2 334.420 0.898 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001074080463 787829289 /nfs/dbraw/zinc/82/92/89/787829289.db2.gz SHZPPRKMEQJPSK-GXTWGEPZSA-N 1 2 349.460 0.573 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@@H](C)C1 ZINC001074085456 787843220 /nfs/dbraw/zinc/84/32/20/787843220.db2.gz VAOIHAHXMHYVTJ-GJZGRUSLSA-N 1 2 334.420 0.829 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)CSCC#N)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001074844374 788421747 /nfs/dbraw/zinc/42/17/47/788421747.db2.gz ZHVMIEXKVUMAHY-VXGBXAGGSA-N 1 2 335.433 0.705 20 30 ECEDLO Cn1cc(C[N@@H+]2CCC3(CN(C(=O)c4ccc(C#N)[nH]4)C3)C2)nn1 ZINC001072634881 788476613 /nfs/dbraw/zinc/47/66/13/788476613.db2.gz JHILYACZSKYZQT-UHFFFAOYSA-N 1 2 325.376 0.363 20 30 ECEDLO Cn1cc(C[N@H+]2CCC3(CN(C(=O)c4ccc(C#N)[nH]4)C3)C2)nn1 ZINC001072634881 788476624 /nfs/dbraw/zinc/47/66/24/788476624.db2.gz JHILYACZSKYZQT-UHFFFAOYSA-N 1 2 325.376 0.363 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001074991783 788680516 /nfs/dbraw/zinc/68/05/16/788680516.db2.gz YJSOPCRFMDYZOQ-UKRRQHHQSA-N 1 2 346.431 0.796 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001075087021 788881799 /nfs/dbraw/zinc/88/17/99/788881799.db2.gz UUABDZJJYKQWFX-LSDHHAIUSA-N 1 2 334.420 0.972 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC1(C)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001073165099 789557808 /nfs/dbraw/zinc/55/78/08/789557808.db2.gz TVFBXOYOHQAARA-CQSZACIVSA-N 1 2 346.431 0.498 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC1(C)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001073169978 789563972 /nfs/dbraw/zinc/56/39/72/789563972.db2.gz OYVGPSRYBQLUKL-HNNXBMFYSA-N 1 2 346.431 0.809 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC1(C)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001073177532 789572579 /nfs/dbraw/zinc/57/25/79/789572579.db2.gz YDDNTMZQAXBHCE-CQSZACIVSA-N 1 2 346.431 0.796 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC001073423021 789817653 /nfs/dbraw/zinc/81/76/53/789817653.db2.gz VNDJOCMGZBACLX-GJZGRUSLSA-N 1 2 346.431 0.665 20 30 ECEDLO N#Cc1nccnc1NC[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001069475595 789850141 /nfs/dbraw/zinc/85/01/41/789850141.db2.gz JJZGAPARGIAWGN-CHWSQXEVSA-N 1 2 325.376 0.942 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1C[C@@H](Nc2ccc(C#N)nn2)C(C)(C)C1 ZINC001069578763 789914917 /nfs/dbraw/zinc/91/49/17/789914917.db2.gz YRFSLTCLGJSNSZ-CQSZACIVSA-N 1 2 339.403 0.973 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001069731381 789993207 /nfs/dbraw/zinc/99/32/07/789993207.db2.gz ZUMZMRNDMRDMOA-GOSISDBHSA-N 1 2 346.431 0.996 20 30 ECEDLO CN(C(=O)Cc1c[nH+]cn1C)C1CC(Nc2ccnc(C#N)n2)C1 ZINC001069756277 790012021 /nfs/dbraw/zinc/01/20/21/790012021.db2.gz WCBAYWYXMBACFM-UHFFFAOYSA-N 1 2 325.376 0.148 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CC[C@H]3C(N)=O)c2C1 ZINC001069869382 790129256 /nfs/dbraw/zinc/12/92/56/790129256.db2.gz KAQIBEONWMWETI-ZIAGYGMSSA-N 1 2 331.420 0.403 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CC[C@H]3C(N)=O)c2C1 ZINC001069869382 790129258 /nfs/dbraw/zinc/12/92/58/790129258.db2.gz KAQIBEONWMWETI-ZIAGYGMSSA-N 1 2 331.420 0.403 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1cnn2c1CN(CC#N)CC2 ZINC001069874640 790136876 /nfs/dbraw/zinc/13/68/76/790136876.db2.gz OEHMQFIPJHMZPA-ZIAGYGMSSA-N 1 2 339.403 0.376 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3cn(CC)nn3)c2C1 ZINC001069878588 790141998 /nfs/dbraw/zinc/14/19/98/790141998.db2.gz DWESJTLKNSIRCP-UHFFFAOYSA-N 1 2 329.408 0.816 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3cn(CC)nn3)c2C1 ZINC001069878588 790142010 /nfs/dbraw/zinc/14/20/10/790142010.db2.gz DWESJTLKNSIRCP-UHFFFAOYSA-N 1 2 329.408 0.816 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C(C)C)[C@@H](n3ccnn3)C2)C1=O ZINC001069897388 790165539 /nfs/dbraw/zinc/16/55/39/790165539.db2.gz NWOVEYGBHSYRSO-ILXRZTDVSA-N 1 2 346.435 0.063 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C(C)C)[C@@H](n3ccnn3)C2)C1=O ZINC001069897388 790165541 /nfs/dbraw/zinc/16/55/41/790165541.db2.gz NWOVEYGBHSYRSO-ILXRZTDVSA-N 1 2 346.435 0.063 20 30 ECEDLO C#CCC[N@H+]1C[C@@H](NC(=O)c2ncccc2O)[C@@H](n2ccnn2)C1 ZINC001069915099 790184835 /nfs/dbraw/zinc/18/48/35/790184835.db2.gz LGKYSNCNCQFGOW-OLZOCXBDSA-N 1 2 326.360 0.057 20 30 ECEDLO C#CCC[N@@H+]1C[C@@H](NC(=O)c2ncccc2O)[C@@H](n2ccnn2)C1 ZINC001069915099 790184838 /nfs/dbraw/zinc/18/48/38/790184838.db2.gz LGKYSNCNCQFGOW-OLZOCXBDSA-N 1 2 326.360 0.057 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cn(C)c(C)cc2=O)[C@@H](n2ccnn2)C1 ZINC001069951492 790232672 /nfs/dbraw/zinc/23/26/72/790232672.db2.gz RKURPZZXYSHJKT-CABCVRRESA-N 1 2 342.403 0.127 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(C)cc2=O)[C@@H](n2ccnn2)C1 ZINC001069951492 790232676 /nfs/dbraw/zinc/23/26/76/790232676.db2.gz RKURPZZXYSHJKT-CABCVRRESA-N 1 2 342.403 0.127 20 30 ECEDLO C#CCCN1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069959521 790241696 /nfs/dbraw/zinc/24/16/96/790241696.db2.gz ZVOGUSANGSYWML-PMPSAXMXSA-N 1 2 330.436 0.127 20 30 ECEDLO C#CCCN1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069959521 790241700 /nfs/dbraw/zinc/24/17/00/790241700.db2.gz ZVOGUSANGSYWML-PMPSAXMXSA-N 1 2 330.436 0.127 20 30 ECEDLO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2C)[C@@H](n2ccnn2)C1 ZINC001069959521 790241704 /nfs/dbraw/zinc/24/17/04/790241704.db2.gz ZVOGUSANGSYWML-PMPSAXMXSA-N 1 2 330.436 0.127 20 30 ECEDLO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2C)[C@@H](n2ccnn2)C1 ZINC001069959521 790241708 /nfs/dbraw/zinc/24/17/08/790241708.db2.gz ZVOGUSANGSYWML-PMPSAXMXSA-N 1 2 330.436 0.127 20 30 ECEDLO O=C(C#CC1CC1)N[C@@H]1COC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001068863003 791294093 /nfs/dbraw/zinc/29/40/93/791294093.db2.gz MMDIKHZYXQSROL-HNNXBMFYSA-N 1 2 342.399 0.173 20 30 ECEDLO C=CCCC(=O)N1CC2(C1)C[C@H](NC(=O)CCc1c[nH]c[nH+]1)CO2 ZINC001068905157 791384806 /nfs/dbraw/zinc/38/48/06/791384806.db2.gz GJTLCLHNRIETGI-AWEZNQCLSA-N 1 2 332.404 0.795 20 30 ECEDLO C=CCCC(=O)N1CC2(C1)C[C@H](NC(=O)CCc1c[nH+]c[nH]1)CO2 ZINC001068905157 791384811 /nfs/dbraw/zinc/38/48/11/791384811.db2.gz GJTLCLHNRIETGI-AWEZNQCLSA-N 1 2 332.404 0.795 20 30 ECEDLO CC(C)C#CC(=O)N1CC2(C1)C[C@@H](NC(=O)Cn1cc[nH+]c1)CO2 ZINC001068916973 791414613 /nfs/dbraw/zinc/41/46/13/791414613.db2.gz WHQQSVJXLLWLHA-CQSZACIVSA-N 1 2 330.388 0.029 20 30 ECEDLO C[C@H]1[C@H](Nc2ccnc(C#N)n2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001068929262 791441831 /nfs/dbraw/zinc/44/18/31/791441831.db2.gz ZRFKHEODDPETBI-QWHCGFSZSA-N 1 2 325.376 0.458 20 30 ECEDLO C[C@H]1C[C@H](Nc2ccnc(C#N)n2)CN1C(=O)CCn1cc[nH+]c1 ZINC001069180058 791763239 /nfs/dbraw/zinc/76/32/39/791763239.db2.gz CWZCXAQSOBEXLH-STQMWFEESA-N 1 2 325.376 0.458 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001066698561 792018176 /nfs/dbraw/zinc/01/81/76/792018176.db2.gz MMPULDTYQSFZMX-DZGCQCFKSA-N 1 2 339.403 0.231 20 30 ECEDLO C[C@@H]1C[C@H]1C(=O)N1CC[C@H]([NH+]2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001066703287 792033718 /nfs/dbraw/zinc/03/37/18/792033718.db2.gz XSHMIPTYELCEBP-VNQPRFMTSA-N 1 2 340.431 0.727 20 30 ECEDLO C=CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001067686395 792089590 /nfs/dbraw/zinc/08/95/90/792089590.db2.gz DZWHKWOSXRTJCO-CQSZACIVSA-N 1 2 336.436 0.861 20 30 ECEDLO N#Cc1ccc(N2CCC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)nn1 ZINC001066753621 792104112 /nfs/dbraw/zinc/10/41/12/792104112.db2.gz JXEJVUBOWXYNHO-ZDUSSCGKSA-N 1 2 325.376 0.720 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1)c1ccncc1C#N ZINC001067748595 792220093 /nfs/dbraw/zinc/22/00/93/792220093.db2.gz AQYVMOKTTOGCMQ-RDJZCZTQSA-N 1 2 343.431 0.711 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccncc1C#N ZINC001067748595 792220103 /nfs/dbraw/zinc/22/01/03/792220103.db2.gz AQYVMOKTTOGCMQ-RDJZCZTQSA-N 1 2 343.431 0.711 20 30 ECEDLO N#Cc1cnc(N[C@]2(CO)CCCN(C(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001066909144 792352500 /nfs/dbraw/zinc/35/25/00/792352500.db2.gz PMFIMJXHCRTUQA-MRXNPFEDSA-N 1 2 341.375 0.010 20 30 ECEDLO C[C@H]1CCN(c2nccnc2C#N)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067962855 792512259 /nfs/dbraw/zinc/51/22/59/792512259.db2.gz GNHKYAAUVVWSBI-WFASDCNBSA-N 1 2 339.403 0.655 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CN(c2ccnc(C#N)n2)CC[C@H]1C ZINC001067963890 792514205 /nfs/dbraw/zinc/51/42/05/792514205.db2.gz WAHVRQLQNCFUKV-RISCZKNCSA-N 1 2 339.403 0.954 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CN(c2nccnc2C#N)CC[C@H]1C ZINC001067963892 792514283 /nfs/dbraw/zinc/51/42/83/792514283.db2.gz WAMOQEUYWVOSSN-ABAIWWIYSA-N 1 2 339.403 0.954 20 30 ECEDLO C[C@H]1CCN(c2ccnc(C#N)n2)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067994674 792553910 /nfs/dbraw/zinc/55/39/10/792553910.db2.gz YAAVTJFQRPGWOD-WCQYABFASA-N 1 2 325.376 0.645 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[C@@H](C)[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001067994340 792553966 /nfs/dbraw/zinc/55/39/66/792553966.db2.gz UIACBAFPKDSQLK-IAQYHMDHSA-N 1 2 339.403 0.954 20 30 ECEDLO Cc1cc(C#N)nc(N2C[C@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)n1 ZINC001068115355 792697600 /nfs/dbraw/zinc/69/76/00/792697600.db2.gz IJNXLKVGVZLEPU-AWEZNQCLSA-N 1 2 339.403 0.884 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)CC1(C)C ZINC001068118489 792702856 /nfs/dbraw/zinc/70/28/56/792702856.db2.gz WRLVSUTZROVAJS-CQSZACIVSA-N 1 2 339.403 0.954 20 30 ECEDLO C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1Nc1ccnc(C#N)n1 ZINC001067123138 792721420 /nfs/dbraw/zinc/72/14/20/792721420.db2.gz QQTWEMHMTTXMCE-NEPJUHHUSA-N 1 2 339.403 0.730 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1Nc1ccc(C#N)nn1 ZINC001067129541 792731664 /nfs/dbraw/zinc/73/16/64/792731664.db2.gz XIMAYCJELYQUHF-WFASDCNBSA-N 1 2 339.403 0.973 20 30 ECEDLO C[C@H](Nc1nccnc1C#N)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001068235827 792891871 /nfs/dbraw/zinc/89/18/71/792891871.db2.gz AYXJOZXUXQECJX-WCQYABFASA-N 1 2 341.375 0.342 20 30 ECEDLO C[C@H](Nc1nccnc1C#N)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001068245363 792925364 /nfs/dbraw/zinc/92/53/64/792925364.db2.gz KPXSKHMYQVTNBT-FZMZJTMJSA-N 1 2 341.375 0.342 20 30 ECEDLO C[C@@H](Nc1ccc(C#N)nn1)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001068246284 792928848 /nfs/dbraw/zinc/92/88/48/792928848.db2.gz WHDHMMCDKZPCAM-BXUZGUMPSA-N 1 2 341.375 0.342 20 30 ECEDLO CC1(C)CN(c2cncc(C#N)n2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067327363 792995173 /nfs/dbraw/zinc/99/51/73/792995173.db2.gz WHURTTLMRAQFJD-CQSZACIVSA-N 1 2 339.403 0.966 20 30 ECEDLO C[C@@H]1C[C@H](CNc2ccnc(C#N)n2)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001068322734 793043713 /nfs/dbraw/zinc/04/37/13/793043713.db2.gz DKDGAHIHSOINBT-CHWSQXEVSA-N 1 2 339.403 0.775 20 30 ECEDLO C[C@H]1C[C@H](CNc2ccnc(C#N)n2)CN1C(=O)Cc1c[nH+]cn1C ZINC001068339483 793079208 /nfs/dbraw/zinc/07/92/08/793079208.db2.gz XOLCDRNRYJBLAC-QWHCGFSZSA-N 1 2 339.403 0.395 20 30 ECEDLO C[C@H]1C[C@@H](CNc2cncc(C#N)n2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001068346083 793093502 /nfs/dbraw/zinc/09/35/02/793093502.db2.gz DLRAXQIKQNFPSH-RYUDHWBXSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@H]1CN(c2ccc(C#N)nn2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067402747 793103499 /nfs/dbraw/zinc/10/34/99/793103499.db2.gz JXHYISZDTSDPQJ-JSGCOSHPSA-N 1 2 325.376 0.576 20 30 ECEDLO C[C@H]1CN(c2cnc(C#N)cn2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067404065 793107051 /nfs/dbraw/zinc/10/70/51/793107051.db2.gz VLUASPRHQRSWDP-JSGCOSHPSA-N 1 2 325.376 0.576 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C[C@H]1C ZINC001067407693 793113314 /nfs/dbraw/zinc/11/33/14/793113314.db2.gz KBJDXYVWJNYFNI-RISCZKNCSA-N 1 2 339.403 0.954 20 30 ECEDLO C[C@@H]1C[C@H](CNc2cncc(C#N)n2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001068376150 793150404 /nfs/dbraw/zinc/15/04/04/793150404.db2.gz QAFNLFNMTWWCQB-VXGBXAGGSA-N 1 2 325.376 0.963 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CCOC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001068437991 793313868 /nfs/dbraw/zinc/31/38/68/793313868.db2.gz KROMRVYFTGJRFG-AWEZNQCLSA-N 1 2 346.431 0.994 20 30 ECEDLO CCCN(C(=O)c1cc(F)c[nH]1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267543226 837730653 /nfs/dbraw/zinc/73/06/53/837730653.db2.gz DPMCKPUIHPXMQD-CYBMUJFWSA-N 1 2 335.383 0.720 20 30 ECEDLO CCCN(C(=O)c1cc(F)c[nH]1)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267543226 837730658 /nfs/dbraw/zinc/73/06/58/837730658.db2.gz DPMCKPUIHPXMQD-CYBMUJFWSA-N 1 2 335.383 0.720 20 30 ECEDLO C#CC[NH+]1CCN(CCN(C)C(=O)Cc2[nH]nc3c2CCCC3)CC1 ZINC001267572053 837806617 /nfs/dbraw/zinc/80/66/17/837806617.db2.gz DTISQXPYICEPAX-UHFFFAOYSA-N 1 2 343.475 0.540 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)c1nnc2ccccc2n1 ZINC001267572907 837811221 /nfs/dbraw/zinc/81/12/21/837811221.db2.gz AYDUZRFVAZGEJP-UHFFFAOYSA-N 1 2 339.403 0.238 20 30 ECEDLO C#CCN1CC[NH+](CCN(C)C(=O)c2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC001267573506 837816449 /nfs/dbraw/zinc/81/64/49/837816449.db2.gz SEDZLYLBVDECJS-UHFFFAOYSA-N 1 2 343.431 0.382 20 30 ECEDLO C#CC[NH+]1CCN(CCN(C)C(=O)c2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC001267573506 837816462 /nfs/dbraw/zinc/81/64/62/837816462.db2.gz SEDZLYLBVDECJS-UHFFFAOYSA-N 1 2 343.431 0.382 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC001266248042 835554936 /nfs/dbraw/zinc/55/49/36/835554936.db2.gz CLHIIHOIDDNUJM-HNNXBMFYSA-N 1 2 335.354 0.908 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC001266248042 835554943 /nfs/dbraw/zinc/55/49/43/835554943.db2.gz CLHIIHOIDDNUJM-HNNXBMFYSA-N 1 2 335.354 0.908 20 30 ECEDLO C=C1CC(C)(C(=O)NCCC[NH+]2CCN(Cc3n[nH]c(=O)[nH]3)CC2)C1 ZINC001266272087 835594436 /nfs/dbraw/zinc/59/44/36/835594436.db2.gz XIZTYKMCRRENHH-UHFFFAOYSA-N 1 2 348.451 0.491 20 30 ECEDLO COCC#CCN1CC[NH+](CCNC(=O)[C@@H]2CCOC[C@H]2C)CC1 ZINC001266292746 835637148 /nfs/dbraw/zinc/63/71/48/835637148.db2.gz SVFIPQXEHBHRFZ-IAGOWNOFSA-N 1 2 337.464 0.043 20 30 ECEDLO COCC#CC[NH+]1CCN(CCNC(=O)[C@@H]2CCOC[C@H]2C)CC1 ZINC001266292746 835637152 /nfs/dbraw/zinc/63/71/52/835637152.db2.gz SVFIPQXEHBHRFZ-IAGOWNOFSA-N 1 2 337.464 0.043 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(CCNC(=O)C(C)(C)CC=C)CC1 ZINC001266294813 835641489 /nfs/dbraw/zinc/64/14/89/835641489.db2.gz MGHKLOHKJPCTOJ-MRXNPFEDSA-N 1 2 348.491 0.460 20 30 ECEDLO N#CCN1CC[NH+](CCNC(=O)CCCOc2cccnc2)CC1 ZINC001266297437 835646819 /nfs/dbraw/zinc/64/68/19/835646819.db2.gz QVJDTVWBJRDIFH-UHFFFAOYSA-N 1 2 331.420 0.498 20 30 ECEDLO C#CCN1CC[NH+](CCNC(=O)CCOCc2ccccc2)CC1 ZINC001266297401 835646932 /nfs/dbraw/zinc/64/69/32/835646932.db2.gz PBYQOKJJJHULGZ-UHFFFAOYSA-N 1 2 329.444 0.960 20 30 ECEDLO CC#CCN1CC[NH+](CCNC(=O)[C@@H]2CCCN2C(=O)CCC)CC1 ZINC001266297895 835649190 /nfs/dbraw/zinc/64/91/90/835649190.db2.gz WVYLLRANLZHDEY-KRWDZBQOSA-N 1 2 348.491 0.535 20 30 ECEDLO CC#CCCCC(=O)NCC[N@H+](C)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001266312032 835678836 /nfs/dbraw/zinc/67/88/36/835678836.db2.gz PLRIXXFHCRRNJN-IYBDPMFKSA-N 1 2 337.464 0.864 20 30 ECEDLO CC#CCCCC(=O)NCC[N@@H+](C)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001266312032 835678841 /nfs/dbraw/zinc/67/88/41/835678841.db2.gz PLRIXXFHCRRNJN-IYBDPMFKSA-N 1 2 337.464 0.864 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC001266319222 835688998 /nfs/dbraw/zinc/68/89/98/835688998.db2.gz IZORLUCTERPJQE-INIZCTEOSA-N 1 2 335.448 0.666 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC001266319222 835689001 /nfs/dbraw/zinc/68/90/01/835689001.db2.gz IZORLUCTERPJQE-INIZCTEOSA-N 1 2 335.448 0.666 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001266325962 835703883 /nfs/dbraw/zinc/70/38/83/835703883.db2.gz VLGXBHITOPNDQI-LSDHHAIUSA-N 1 2 348.447 0.935 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001266325962 835703887 /nfs/dbraw/zinc/70/38/87/835703887.db2.gz VLGXBHITOPNDQI-LSDHHAIUSA-N 1 2 348.447 0.935 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1c(F)cc(OC)cc1F ZINC001266328489 835711045 /nfs/dbraw/zinc/71/10/45/835711045.db2.gz FUITUDQDXLKCIN-UHFFFAOYSA-N 1 2 341.358 0.937 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1c(F)cc(OC)cc1F ZINC001266328489 835711049 /nfs/dbraw/zinc/71/10/49/835711049.db2.gz FUITUDQDXLKCIN-UHFFFAOYSA-N 1 2 341.358 0.937 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2ccc(C)cc2)C1 ZINC001266331991 835713591 /nfs/dbraw/zinc/71/35/91/835713591.db2.gz ZJSCJXBLRLUZJK-QGZVFWFLSA-N 1 2 327.428 0.868 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2ccc(C)cc2)C1 ZINC001266331991 835713597 /nfs/dbraw/zinc/71/35/97/835713597.db2.gz ZJSCJXBLRLUZJK-QGZVFWFLSA-N 1 2 327.428 0.868 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C(F)F)C1 ZINC001266341481 835727089 /nfs/dbraw/zinc/72/70/89/835727089.db2.gz IUZKBHKONCLHEG-SNVBAGLBSA-N 1 2 346.378 0.480 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(F)F)C1 ZINC001266341481 835727091 /nfs/dbraw/zinc/72/70/91/835727091.db2.gz IUZKBHKONCLHEG-SNVBAGLBSA-N 1 2 346.378 0.480 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccn(C(C)C)n2)C1 ZINC001266344346 835732935 /nfs/dbraw/zinc/73/29/35/835732935.db2.gz HBEFHHWMXAHMHK-KGLIPLIRSA-N 1 2 333.436 0.959 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2ccn(C(C)C)n2)C1 ZINC001266344346 835732939 /nfs/dbraw/zinc/73/29/39/835732939.db2.gz HBEFHHWMXAHMHK-KGLIPLIRSA-N 1 2 333.436 0.959 20 30 ECEDLO Cn1ccc2c1cccc2C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001266347361 835739070 /nfs/dbraw/zinc/73/90/70/835739070.db2.gz MZOVPLAEEZQOEW-CYBMUJFWSA-N 1 2 339.399 0.622 20 30 ECEDLO Cn1ccc2c1cccc2C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001266347361 835739081 /nfs/dbraw/zinc/73/90/81/835739081.db2.gz MZOVPLAEEZQOEW-CYBMUJFWSA-N 1 2 339.399 0.622 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cn2ccccc2n1 ZINC001266491955 835891817 /nfs/dbraw/zinc/89/18/17/835891817.db2.gz DUILZQKIRJBDOZ-ZDUSSCGKSA-N 1 2 340.387 0.168 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cn2ccccc2n1 ZINC001266491955 835891822 /nfs/dbraw/zinc/89/18/22/835891822.db2.gz DUILZQKIRJBDOZ-ZDUSSCGKSA-N 1 2 340.387 0.168 20 30 ECEDLO C#CCOCCC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)c2nnnn2C)C1 ZINC001266750347 836240787 /nfs/dbraw/zinc/24/07/87/836240787.db2.gz VFAZKKURCKMLHH-UONOGXRCSA-N 1 2 334.424 0.139 20 30 ECEDLO C#CCOCCC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)c2nnnn2C)C1 ZINC001266750347 836240798 /nfs/dbraw/zinc/24/07/98/836240798.db2.gz VFAZKKURCKMLHH-UONOGXRCSA-N 1 2 334.424 0.139 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(F)cn1 ZINC001266840260 836366315 /nfs/dbraw/zinc/36/63/15/836366315.db2.gz QXJIXMSMLLIJEJ-CQSZACIVSA-N 1 2 332.379 0.554 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(F)cn1 ZINC001266840260 836366322 /nfs/dbraw/zinc/36/63/22/836366322.db2.gz QXJIXMSMLLIJEJ-CQSZACIVSA-N 1 2 332.379 0.554 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(OC)ccn1 ZINC001266849790 836381789 /nfs/dbraw/zinc/38/17/89/836381789.db2.gz OCRPNMLYJNTOEK-CQSZACIVSA-N 1 2 346.431 0.977 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(OC)ccn1 ZINC001266849790 836381796 /nfs/dbraw/zinc/38/17/96/836381796.db2.gz OCRPNMLYJNTOEK-CQSZACIVSA-N 1 2 346.431 0.977 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccn(CC)n1 ZINC001266855444 836389664 /nfs/dbraw/zinc/38/96/64/836389664.db2.gz BVILMRUCAGWTEQ-CQSZACIVSA-N 1 2 331.420 0.237 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn(CC)n1 ZINC001266855444 836389678 /nfs/dbraw/zinc/38/96/78/836389678.db2.gz BVILMRUCAGWTEQ-CQSZACIVSA-N 1 2 331.420 0.237 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CS(=O)(=O)CC ZINC001266889655 836438089 /nfs/dbraw/zinc/43/80/89/836438089.db2.gz KHZUXDQJKKPGFD-HUUCEWRRSA-N 1 2 326.462 0.900 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CS(=O)(=O)CC ZINC001266889655 836438093 /nfs/dbraw/zinc/43/80/93/836438093.db2.gz KHZUXDQJKKPGFD-HUUCEWRRSA-N 1 2 326.462 0.900 20 30 ECEDLO C=C1CC(C)(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NC(=O)NCC)C1 ZINC001267276535 837120557 /nfs/dbraw/zinc/12/05/57/837120557.db2.gz RKEWXOBBYKUARO-CYBMUJFWSA-N 1 2 336.436 0.769 20 30 ECEDLO C=C1CC(C)(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NC(=O)NCC)C1 ZINC001267276535 837120567 /nfs/dbraw/zinc/12/05/67/837120567.db2.gz RKEWXOBBYKUARO-CYBMUJFWSA-N 1 2 336.436 0.769 20 30 ECEDLO COc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NCC#N)cc1 ZINC001267282734 837132288 /nfs/dbraw/zinc/13/22/88/837132288.db2.gz XMAUMUSGFDEVFS-AWEZNQCLSA-N 1 2 330.388 0.529 20 30 ECEDLO COc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NCC#N)cc1 ZINC001267282734 837132295 /nfs/dbraw/zinc/13/22/95/837132295.db2.gz XMAUMUSGFDEVFS-AWEZNQCLSA-N 1 2 330.388 0.529 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C1CC1 ZINC001267401256 837342341 /nfs/dbraw/zinc/34/23/41/837342341.db2.gz MBRVGYOBFNOLQT-DAYGRLMNSA-N 1 2 335.448 0.610 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C1CC1 ZINC001267401256 837342353 /nfs/dbraw/zinc/34/23/53/837342353.db2.gz MBRVGYOBFNOLQT-DAYGRLMNSA-N 1 2 335.448 0.610 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)NC1CC1 ZINC001267405928 837375634 /nfs/dbraw/zinc/37/56/34/837375634.db2.gz RIRLFCYYEMFFKU-BMFZPTHFSA-N 1 2 333.432 0.369 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)NC1CC1 ZINC001267405928 837375641 /nfs/dbraw/zinc/37/56/41/837375641.db2.gz RIRLFCYYEMFFKU-BMFZPTHFSA-N 1 2 333.432 0.369 20 30 ECEDLO COCC#CC[NH+]1CCN(CCN(C)C(=O)[C@@H](OC)C2CC2)CC1 ZINC001267607886 837952466 /nfs/dbraw/zinc/95/24/66/837952466.db2.gz YVDWYTSLKBKULA-KRWDZBQOSA-N 1 2 337.464 0.137 20 30 ECEDLO COCC#CCN1CC[NH+](CCN(C)C(=O)[C@@H](OC)C2CC2)CC1 ZINC001267607886 837952460 /nfs/dbraw/zinc/95/24/60/837952460.db2.gz YVDWYTSLKBKULA-KRWDZBQOSA-N 1 2 337.464 0.137 20 30 ECEDLO CC(C)(C)C#CC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2CCOC2)C1 ZINC001267614339 837989357 /nfs/dbraw/zinc/98/93/57/837989357.db2.gz GWTXTSQULVYBLV-HZPDHXFCSA-N 1 2 349.475 0.769 20 30 ECEDLO CC(C)(C)C#CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2CCOC2)C1 ZINC001267614339 837989367 /nfs/dbraw/zinc/98/93/67/837989367.db2.gz GWTXTSQULVYBLV-HZPDHXFCSA-N 1 2 349.475 0.769 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC001267615164 837993148 /nfs/dbraw/zinc/99/31/48/837993148.db2.gz IFTSBOSDMRNHFM-GXTWGEPZSA-N 1 2 344.415 0.884 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC001267615164 837993153 /nfs/dbraw/zinc/99/31/53/837993153.db2.gz IFTSBOSDMRNHFM-GXTWGEPZSA-N 1 2 344.415 0.884 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC(C)C)C1 ZINC001267616779 838028199 /nfs/dbraw/zinc/02/81/99/838028199.db2.gz BQWFEWVCBAWVJH-OAGGEKHMSA-N 1 2 337.464 0.930 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC(C)C)C1 ZINC001267616779 838028209 /nfs/dbraw/zinc/02/82/09/838028209.db2.gz BQWFEWVCBAWVJH-OAGGEKHMSA-N 1 2 337.464 0.930 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@H]1COc2ccccc21 ZINC001267618625 838052415 /nfs/dbraw/zinc/05/24/15/838052415.db2.gz PTBOVSKMKJOUPR-INIZCTEOSA-N 1 2 328.416 0.762 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCOc2ccccc2)C1 ZINC001267622249 838063027 /nfs/dbraw/zinc/06/30/27/838063027.db2.gz RWUWZPAKKFFOQH-MRXNPFEDSA-N 1 2 343.427 0.786 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCOc2ccccc2)C1 ZINC001267622249 838063042 /nfs/dbraw/zinc/06/30/42/838063042.db2.gz RWUWZPAKKFFOQH-MRXNPFEDSA-N 1 2 343.427 0.786 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cncnc2CC)C1 ZINC001267622135 838063070 /nfs/dbraw/zinc/06/30/70/838063070.db2.gz NJYBOIMXYWCPCC-UONOGXRCSA-N 1 2 343.431 0.371 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cncnc2CC)C1 ZINC001267622135 838063083 /nfs/dbraw/zinc/06/30/83/838063083.db2.gz NJYBOIMXYWCPCC-UONOGXRCSA-N 1 2 343.431 0.371 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NCc2ccco2)C1 ZINC001267625701 838071498 /nfs/dbraw/zinc/07/14/98/838071498.db2.gz BXFSIJRYYJHBIZ-HNNXBMFYSA-N 1 2 347.415 0.516 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCc2ccco2)C1 ZINC001267625701 838071507 /nfs/dbraw/zinc/07/15/07/838071507.db2.gz BXFSIJRYYJHBIZ-HNNXBMFYSA-N 1 2 347.415 0.516 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC001267626143 838075948 /nfs/dbraw/zinc/07/59/48/838075948.db2.gz NSONYECPUQSNLJ-UONOGXRCSA-N 1 2 343.431 0.160 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC001267626143 838075957 /nfs/dbraw/zinc/07/59/57/838075957.db2.gz NSONYECPUQSNLJ-UONOGXRCSA-N 1 2 343.431 0.160 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)C3(C(N)=O)CC3)C2)cc1F ZINC001267691301 838259711 /nfs/dbraw/zinc/25/97/11/838259711.db2.gz NMQUTPVYXIVOOB-UHFFFAOYSA-N 1 2 330.363 0.511 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C[C@H](C)n2cccn2)C1 ZINC001267695930 838284096 /nfs/dbraw/zinc/28/40/96/838284096.db2.gz MNRUZNQOAMJZRW-KBPBESRZSA-N 1 2 331.420 0.020 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@H](C)c2cccnc2)C1 ZINC001267697585 838287455 /nfs/dbraw/zinc/28/74/55/838287455.db2.gz MQRSMDMUTQJXBT-KGLIPLIRSA-N 1 2 328.416 0.371 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCOCC1 ZINC001267700483 838297345 /nfs/dbraw/zinc/29/73/45/838297345.db2.gz PQFMTPPOVYQTPR-IRXDYDNUSA-N 1 2 347.459 0.899 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCOCC1 ZINC001267700483 838297355 /nfs/dbraw/zinc/29/73/55/838297355.db2.gz PQFMTPPOVYQTPR-IRXDYDNUSA-N 1 2 347.459 0.899 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CCC(C)CC2)C1 ZINC001267723754 838379925 /nfs/dbraw/zinc/37/99/25/838379925.db2.gz JLQZNESMWHINCX-JCYILVPMSA-N 1 2 349.475 0.912 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CC[N@H+](CC(=O)NC2CCC(C)CC2)C1 ZINC001267723754 838379932 /nfs/dbraw/zinc/37/99/32/838379932.db2.gz JLQZNESMWHINCX-JCYILVPMSA-N 1 2 349.475 0.912 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001267729211 838413408 /nfs/dbraw/zinc/41/34/08/838413408.db2.gz YHQTUDVGZQPNPI-ROUUACIJSA-N 1 2 339.439 0.731 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001267729211 838413412 /nfs/dbraw/zinc/41/34/12/838413412.db2.gz YHQTUDVGZQPNPI-ROUUACIJSA-N 1 2 339.439 0.731 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2Cc3ccccc3O2)C1 ZINC001267744680 838447136 /nfs/dbraw/zinc/44/71/36/838447136.db2.gz JBXSQNUPOLSCJJ-GDBMZVCRSA-N 1 2 329.400 0.483 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2Cc3ccccc3O2)C1 ZINC001267744680 838447139 /nfs/dbraw/zinc/44/71/39/838447139.db2.gz JBXSQNUPOLSCJJ-GDBMZVCRSA-N 1 2 329.400 0.483 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2cccc(F)c2)C1 ZINC001267753833 838475362 /nfs/dbraw/zinc/47/53/62/838475362.db2.gz ODDCFRUMJUZUKB-RHSMWYFYSA-N 1 2 345.418 0.944 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2cccc(F)c2)C1 ZINC001267753833 838475366 /nfs/dbraw/zinc/47/53/66/838475366.db2.gz ODDCFRUMJUZUKB-RHSMWYFYSA-N 1 2 345.418 0.944 20 30 ECEDLO CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)cn1 ZINC001267764034 838496692 /nfs/dbraw/zinc/49/66/92/838496692.db2.gz QXMVSLXOZPQNGR-CQSZACIVSA-N 1 2 345.403 0.266 20 30 ECEDLO CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)cn1 ZINC001267764034 838496694 /nfs/dbraw/zinc/49/66/94/838496694.db2.gz QXMVSLXOZPQNGR-CQSZACIVSA-N 1 2 345.403 0.266 20 30 ECEDLO CN(C(=O)C(=O)NCC(F)F)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001267768222 838506852 /nfs/dbraw/zinc/50/68/52/838506852.db2.gz ODHLAXJLIAXFHW-OAHLLOKOSA-N 1 2 349.381 0.952 20 30 ECEDLO CN(C(=O)C(=O)NCC(F)F)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001267768222 838506854 /nfs/dbraw/zinc/50/68/54/838506854.db2.gz ODHLAXJLIAXFHW-OAHLLOKOSA-N 1 2 349.381 0.952 20 30 ECEDLO CN(C(=O)CCc1nccs1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267778285 838545824 /nfs/dbraw/zinc/54/58/24/838545824.db2.gz XJXOXDKXXDJVNX-LBPRGKRZSA-N 1 2 335.433 0.248 20 30 ECEDLO CN(C(=O)CCc1nccs1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267778285 838545834 /nfs/dbraw/zinc/54/58/34/838545834.db2.gz XJXOXDKXXDJVNX-LBPRGKRZSA-N 1 2 335.433 0.248 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cnnc(C)c2)C1 ZINC001267785994 838562070 /nfs/dbraw/zinc/56/20/70/838562070.db2.gz YCMBEEUHJNBZRX-OAHLLOKOSA-N 1 2 329.404 0.071 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnnc(C)c2)C1 ZINC001267785994 838562075 /nfs/dbraw/zinc/56/20/75/838562075.db2.gz YCMBEEUHJNBZRX-OAHLLOKOSA-N 1 2 329.404 0.071 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cn3c(n2)CCC3)C1 ZINC001267937695 838821209 /nfs/dbraw/zinc/82/12/09/838821209.db2.gz SRCKOQRJWPXYSZ-CYBMUJFWSA-N 1 2 331.420 0.326 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cn3c(n2)CCC3)C1 ZINC001267937695 838821222 /nfs/dbraw/zinc/82/12/22/838821222.db2.gz SRCKOQRJWPXYSZ-CYBMUJFWSA-N 1 2 331.420 0.326 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NCC3CC3)C2)c1 ZINC001267965917 838881631 /nfs/dbraw/zinc/88/16/31/838881631.db2.gz ABDNRNMYDQGMAN-QGZVFWFLSA-N 1 2 340.427 0.783 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NCC3CC3)C2)c1 ZINC001267965917 838881635 /nfs/dbraw/zinc/88/16/35/838881635.db2.gz ABDNRNMYDQGMAN-QGZVFWFLSA-N 1 2 340.427 0.783 20 30 ECEDLO Cc1cc(C(=O)N2CCC3(C[NH+](CC(=O)NCC#N)C3)CC2)ccn1 ZINC001268046734 839213647 /nfs/dbraw/zinc/21/36/47/839213647.db2.gz IVUSQBIPMWELTQ-UHFFFAOYSA-N 1 2 341.415 0.568 20 30 ECEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000428231890 210252153 /nfs/dbraw/zinc/25/21/53/210252153.db2.gz LYHQIFUUKUVCGA-LLVKDONJSA-N 1 2 326.397 0.702 20 30 ECEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000428231890 210252156 /nfs/dbraw/zinc/25/21/56/210252156.db2.gz LYHQIFUUKUVCGA-LLVKDONJSA-N 1 2 326.397 0.702 20 30 ECEDLO CC[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000427891068 210228241 /nfs/dbraw/zinc/22/82/41/210228241.db2.gz CTWNGNBUZAWNDR-OAHLLOKOSA-N 1 2 330.388 0.724 20 30 ECEDLO CC[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000427891068 210228245 /nfs/dbraw/zinc/22/82/45/210228245.db2.gz CTWNGNBUZAWNDR-OAHLLOKOSA-N 1 2 330.388 0.724 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000377857256 295822478 /nfs/dbraw/zinc/82/24/78/295822478.db2.gz RNYYOJYQAHQWPB-BFHYXJOUSA-N 1 2 330.454 0.260 20 30 ECEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)C1 ZINC000329125601 283022474 /nfs/dbraw/zinc/02/24/74/283022474.db2.gz MJDUVKCRZPBRMM-BARDWOONSA-N 1 2 327.425 0.093 20 30 ECEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)C1 ZINC000329125601 283022479 /nfs/dbraw/zinc/02/24/79/283022479.db2.gz MJDUVKCRZPBRMM-BARDWOONSA-N 1 2 327.425 0.093 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000264195833 201209563 /nfs/dbraw/zinc/20/95/63/201209563.db2.gz RLZZPFKCTHAOBK-MDZDMXLPSA-N 1 2 325.412 0.984 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000264195833 201209566 /nfs/dbraw/zinc/20/95/66/201209566.db2.gz RLZZPFKCTHAOBK-MDZDMXLPSA-N 1 2 325.412 0.984 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000264188967 201209735 /nfs/dbraw/zinc/20/97/35/201209735.db2.gz PWOPOPICNDRRQN-UHFFFAOYSA-N 1 2 344.371 0.492 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000264188967 201209738 /nfs/dbraw/zinc/20/97/38/201209738.db2.gz PWOPOPICNDRRQN-UHFFFAOYSA-N 1 2 344.371 0.492 20 30 ECEDLO COC(=O)[C@@H]1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000331007683 284025952 /nfs/dbraw/zinc/02/59/52/284025952.db2.gz IBAIWXKPDPRBSX-MGPQQGTHSA-N 1 2 327.425 0.752 20 30 ECEDLO Cn1cc[nH+]c1CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000264220588 246201194 /nfs/dbraw/zinc/20/11/94/246201194.db2.gz UHERNUOPYGCHQB-UHFFFAOYSA-N 1 2 325.376 0.719 20 30 ECEDLO Cn1c(C#N)ccc1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000448970443 211268646 /nfs/dbraw/zinc/26/86/46/211268646.db2.gz YNZJUGKLJURKQL-UHFFFAOYSA-N 1 2 343.431 0.571 20 30 ECEDLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)N[C@@H]1C=C[C@H](CO)C1 ZINC000330039707 254626763 /nfs/dbraw/zinc/62/67/63/254626763.db2.gz BDGHYZXEJGHINK-LSDHHAIUSA-N 1 2 332.404 0.859 20 30 ECEDLO C#CCNS(=O)(=O)c1cccc(C(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000378086498 254758806 /nfs/dbraw/zinc/75/88/06/254758806.db2.gz HKOLGKSGTVHXCT-UHFFFAOYSA-N 1 2 344.396 0.451 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451261982 254805144 /nfs/dbraw/zinc/80/51/44/254805144.db2.gz KHEPVICAEZEVNR-YOEHRIQHSA-N 1 2 335.379 0.798 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451261982 254805146 /nfs/dbraw/zinc/80/51/46/254805146.db2.gz KHEPVICAEZEVNR-YOEHRIQHSA-N 1 2 335.379 0.798 20 30 ECEDLO CS(=O)(=O)CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479246725 254824621 /nfs/dbraw/zinc/82/46/21/254824621.db2.gz PGSOVQMQLNLFKK-UHFFFAOYSA-N 1 2 335.429 0.706 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)CC3(CCCCC3)C2=O)CC1 ZINC000490778305 254886117 /nfs/dbraw/zinc/88/61/17/254886117.db2.gz CZPNPSLQPDJNIF-UHFFFAOYSA-N 1 2 331.416 0.473 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000495995705 255061697 /nfs/dbraw/zinc/06/16/97/255061697.db2.gz ZWXQOHBPTNLVNQ-RYUDHWBXSA-N 1 2 340.424 0.986 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000495995705 255061698 /nfs/dbraw/zinc/06/16/98/255061698.db2.gz ZWXQOHBPTNLVNQ-RYUDHWBXSA-N 1 2 340.424 0.986 20 30 ECEDLO CO[C@H](CNC(=O)OC(C)(C)C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000496772995 255128549 /nfs/dbraw/zinc/12/85/49/255128549.db2.gz HDAYEMKNCGGJGL-IAQYHMDHSA-N 1 2 328.413 0.486 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(C(F)(F)F)c2)C1 ZINC001077942384 781982860 /nfs/dbraw/zinc/98/28/60/781982860.db2.gz MOMSYWQVOVESAZ-VXGBXAGGSA-N 1 2 327.306 0.899 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(C(F)(F)F)c2)C1 ZINC001077942384 781982866 /nfs/dbraw/zinc/98/28/66/781982866.db2.gz MOMSYWQVOVESAZ-VXGBXAGGSA-N 1 2 327.306 0.899 20 30 ECEDLO C[N@@H+]1CCC[C@@H]1CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000194696692 165069661 /nfs/dbraw/zinc/06/96/61/165069661.db2.gz WHYWOERHCORULT-OAHLLOKOSA-N 1 2 335.429 0.683 20 30 ECEDLO C[N@H+]1CCC[C@@H]1CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000194696692 165069663 /nfs/dbraw/zinc/06/96/63/165069663.db2.gz WHYWOERHCORULT-OAHLLOKOSA-N 1 2 335.429 0.683 20 30 ECEDLO Cc1nn(C)c(N2CC[NH+](CC(=O)N3CCC[C@@H](C)C3)CC2)c1C#N ZINC000349882768 269927570 /nfs/dbraw/zinc/92/75/70/269927570.db2.gz NIQFSGBNNHVRKF-CQSZACIVSA-N 1 2 344.463 0.981 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCCOc1ccc(C#N)cc1 ZINC000175107898 263151625 /nfs/dbraw/zinc/15/16/25/263151625.db2.gz JCWSLNHLUYFNFA-CQSZACIVSA-N 1 2 332.404 0.957 20 30 ECEDLO N#Cc1ncn(CCNC(=O)NC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000344304367 270006296 /nfs/dbraw/zinc/00/62/96/270006296.db2.gz ARDFRJZDLNUBBZ-UHFFFAOYSA-N 1 2 340.391 0.513 20 30 ECEDLO CC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000355748157 266370331 /nfs/dbraw/zinc/37/03/31/266370331.db2.gz JBVBXQCAHLXWAH-CYBMUJFWSA-N 1 2 347.400 0.827 20 30 ECEDLO CC[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cn2)CCO1 ZINC000340403798 266379133 /nfs/dbraw/zinc/37/91/33/266379133.db2.gz WTFCFFGCTRNSFR-CYBMUJFWSA-N 1 2 331.376 0.119 20 30 ECEDLO CC[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cn2)CCO1 ZINC000340403798 266379138 /nfs/dbraw/zinc/37/91/38/266379138.db2.gz WTFCFFGCTRNSFR-CYBMUJFWSA-N 1 2 331.376 0.119 20 30 ECEDLO C[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H]1O ZINC000351821026 267048533 /nfs/dbraw/zinc/04/85/33/267048533.db2.gz QHYBTWPQLWYXKW-IUODEOHRSA-N 1 2 325.372 0.995 20 30 ECEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H]1O ZINC000351821026 267048537 /nfs/dbraw/zinc/04/85/37/267048537.db2.gz QHYBTWPQLWYXKW-IUODEOHRSA-N 1 2 325.372 0.995 20 30 ECEDLO C[C@@H]1OCC[C@H]1[N@H+](CCO)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343759939 267100435 /nfs/dbraw/zinc/10/04/35/267100435.db2.gz PQOIROQRPUUYQD-GXTWGEPZSA-N 1 2 339.417 0.199 20 30 ECEDLO C[C@@H]1OCC[C@H]1[N@@H+](CCO)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343759939 267100439 /nfs/dbraw/zinc/10/04/39/267100439.db2.gz PQOIROQRPUUYQD-GXTWGEPZSA-N 1 2 339.417 0.199 20 30 ECEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000366755745 267138219 /nfs/dbraw/zinc/13/82/19/267138219.db2.gz IYACPBWXYKJNRH-DFBGVHRSSA-N 1 2 328.372 0.475 20 30 ECEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000366755745 267138220 /nfs/dbraw/zinc/13/82/20/267138220.db2.gz IYACPBWXYKJNRH-DFBGVHRSSA-N 1 2 328.372 0.475 20 30 ECEDLO C[C@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)C[NH+]1CCOCC1 ZINC000293617090 267162894 /nfs/dbraw/zinc/16/28/94/267162894.db2.gz YRIIOHRHMSXDAW-GFCCVEGCSA-N 1 2 341.408 0.944 20 30 ECEDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(c2ncc3c(c2C#N)CCC3)CCO1 ZINC000425261797 267300385 /nfs/dbraw/zinc/30/03/85/267300385.db2.gz ZNWCZNVXOUKLCI-CYBMUJFWSA-N 1 2 329.404 0.064 20 30 ECEDLO C[N@H+](CC(N)=O)C[C@@H]1CN(c2ncc3c(c2C#N)CCC3)CCO1 ZINC000425261797 267300386 /nfs/dbraw/zinc/30/03/86/267300386.db2.gz ZNWCZNVXOUKLCI-CYBMUJFWSA-N 1 2 329.404 0.064 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1sccc1C#N ZINC000529750924 267330621 /nfs/dbraw/zinc/33/06/21/267330621.db2.gz FYXRSFSSMXELRH-INIZCTEOSA-N 1 2 335.429 0.965 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1sccc1C#N ZINC000529750924 267330624 /nfs/dbraw/zinc/33/06/24/267330624.db2.gz FYXRSFSSMXELRH-INIZCTEOSA-N 1 2 335.429 0.965 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccc(C#N)s1 ZINC000529750693 267332513 /nfs/dbraw/zinc/33/25/13/267332513.db2.gz HALCFSBUEBHQTN-MRXNPFEDSA-N 1 2 335.429 0.965 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccc(C#N)s1 ZINC000529750693 267332516 /nfs/dbraw/zinc/33/25/16/267332516.db2.gz HALCFSBUEBHQTN-MRXNPFEDSA-N 1 2 335.429 0.965 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](CCn3nc4ccccn4c3=O)CC2)nc1 ZINC000345097818 268117157 /nfs/dbraw/zinc/11/71/57/268117157.db2.gz RGRFEOWIQYIOKH-UHFFFAOYSA-N 1 2 349.398 0.585 20 30 ECEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCN4CCOC[C@@H]4C3)C2=O)cc1 ZINC000329670558 268126573 /nfs/dbraw/zinc/12/65/73/268126573.db2.gz MXVVTRPIZLCLPQ-IRXDYDNUSA-N 1 2 326.400 0.680 20 30 ECEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCN4CCOC[C@@H]4C3)C2=O)cc1 ZINC000329670558 268126577 /nfs/dbraw/zinc/12/65/77/268126577.db2.gz MXVVTRPIZLCLPQ-IRXDYDNUSA-N 1 2 326.400 0.680 20 30 ECEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCN4CCOC[C@H]4C3)C2=O)cc1 ZINC000329670559 268126766 /nfs/dbraw/zinc/12/67/66/268126766.db2.gz MXVVTRPIZLCLPQ-SJORKVTESA-N 1 2 326.400 0.680 20 30 ECEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCN4CCOC[C@H]4C3)C2=O)cc1 ZINC000329670559 268126770 /nfs/dbraw/zinc/12/67/70/268126770.db2.gz MXVVTRPIZLCLPQ-SJORKVTESA-N 1 2 326.400 0.680 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)o1 ZINC000288016911 268194120 /nfs/dbraw/zinc/19/41/20/268194120.db2.gz HBNGEBADFJZCCT-LBPRGKRZSA-N 1 2 325.390 0.494 20 30 ECEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)c1 ZINC000374169795 268251022 /nfs/dbraw/zinc/25/10/22/268251022.db2.gz FAQBLTSMDGUIGH-CABCVRRESA-N 1 2 328.372 0.605 20 30 ECEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)c1 ZINC000374169795 268251023 /nfs/dbraw/zinc/25/10/23/268251023.db2.gz FAQBLTSMDGUIGH-CABCVRRESA-N 1 2 328.372 0.605 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)c1 ZINC000377658734 268275852 /nfs/dbraw/zinc/27/58/52/268275852.db2.gz YFQOGKLKKWALID-UKRRQHHQSA-N 1 2 333.413 0.400 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)c1 ZINC000377658734 268275853 /nfs/dbraw/zinc/27/58/53/268275853.db2.gz YFQOGKLKKWALID-UKRRQHHQSA-N 1 2 333.413 0.400 20 30 ECEDLO N#Cc1ccnc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)c1 ZINC000354862724 268288860 /nfs/dbraw/zinc/28/88/60/268288860.db2.gz UEWVQEZODUDEFK-OAHLLOKOSA-N 1 2 330.388 0.517 20 30 ECEDLO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000528424208 268301635 /nfs/dbraw/zinc/30/16/35/268301635.db2.gz YFNFARJKQONKHZ-IAGOWNOFSA-N 1 2 331.416 0.704 20 30 ECEDLO N#Cc1ncccc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000375436698 268330519 /nfs/dbraw/zinc/33/05/19/268330519.db2.gz GZWVWOAKMDEEIL-STQMWFEESA-N 1 2 336.417 0.485 20 30 ECEDLO N#Cc1ncccc1S(=O)(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000375436698 268330520 /nfs/dbraw/zinc/33/05/20/268330520.db2.gz GZWVWOAKMDEEIL-STQMWFEESA-N 1 2 336.417 0.485 20 30 ECEDLO N#Cc1ncn(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)n1 ZINC000343288777 268334463 /nfs/dbraw/zinc/33/44/63/268334463.db2.gz JRWKIEZBVUDXNO-UHFFFAOYSA-N 1 2 340.387 0.298 20 30 ECEDLO CC(C)c1nnc2n1C[C@@H]([NH+]=C([O-])N1C[C@H]3OCC[N@H+](C)[C@H]3C1)CC2 ZINC000329684854 276077649 /nfs/dbraw/zinc/07/76/49/276077649.db2.gz YGBIRGPZPUWQTK-MELADBBJSA-N 1 2 348.451 0.645 20 30 ECEDLO CC(C)c1nnc2n1C[C@@H]([NH+]=C([O-])N1C[C@H]3OCC[N@@H+](C)[C@H]3C1)CC2 ZINC000329684854 276077652 /nfs/dbraw/zinc/07/76/52/276077652.db2.gz YGBIRGPZPUWQTK-MELADBBJSA-N 1 2 348.451 0.645 20 30 ECEDLO CC(C)c1nnc2n1C[C@@H](NC(=O)N1C[C@H]3OCC[N@H+](C)[C@H]3C1)CC2 ZINC000329684854 276077653 /nfs/dbraw/zinc/07/76/53/276077653.db2.gz YGBIRGPZPUWQTK-MELADBBJSA-N 1 2 348.451 0.645 20 30 ECEDLO CC(C)c1nnc2n1C[C@@H](NC(=O)N1C[C@H]3OCC[N@@H+](C)[C@H]3C1)CC2 ZINC000329684854 276077655 /nfs/dbraw/zinc/07/76/55/276077655.db2.gz YGBIRGPZPUWQTK-MELADBBJSA-N 1 2 348.451 0.645 20 30 ECEDLO C=C[C@H](CO)NC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000356838986 277911870 /nfs/dbraw/zinc/91/18/70/277911870.db2.gz QBXVYAQTPBPHDQ-KFNAQCHYSA-N 1 2 332.404 0.525 20 30 ECEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2cc(C#N)cn2C)CC1 ZINC000154822533 279189255 /nfs/dbraw/zinc/18/92/55/279189255.db2.gz WHFJPTVESGEISA-CQSZACIVSA-N 1 2 343.431 0.665 20 30 ECEDLO C#CC[N@H+]1CC[C@]2(CCN(C(=O)c3ccc(S(C)(=O)=O)o3)C2)C1 ZINC001041719987 782052043 /nfs/dbraw/zinc/05/20/43/782052043.db2.gz GOPYCMCRJGLGQM-INIZCTEOSA-N 1 2 336.413 0.854 20 30 ECEDLO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(S(C)(=O)=O)o3)C2)C1 ZINC001041719987 782052054 /nfs/dbraw/zinc/05/20/54/782052054.db2.gz GOPYCMCRJGLGQM-INIZCTEOSA-N 1 2 336.413 0.854 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)CN1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000374112690 280101453 /nfs/dbraw/zinc/10/14/53/280101453.db2.gz WXCWKDVJBCOBRC-MAUKXSAKSA-N 1 2 349.479 0.327 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330783851 437614820 /nfs/dbraw/zinc/61/48/20/437614820.db2.gz JABFFINACWLCQD-YOEHRIQHSA-N 1 2 332.452 0.970 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000452108161 297006246 /nfs/dbraw/zinc/00/62/46/297006246.db2.gz VFXBWSHPPDBPTH-LLVKDONJSA-N 1 2 343.836 0.899 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000452108161 297006249 /nfs/dbraw/zinc/00/62/49/297006249.db2.gz VFXBWSHPPDBPTH-LLVKDONJSA-N 1 2 343.836 0.899 20 30 ECEDLO C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccnn1C)[NH+]1CCOCC1 ZINC000330284353 298245737 /nfs/dbraw/zinc/24/57/37/298245737.db2.gz XJEDTWJKXQGIOO-IOASZLSFSA-N 1 2 349.435 0.617 20 30 ECEDLO N#Cc1ccc(CN2CC[NH+](CCN3C(=O)CNC3=O)CC2)cc1 ZINC000075608579 436167078 /nfs/dbraw/zinc/16/70/78/436167078.db2.gz NQVBOBGEPRQJDP-UHFFFAOYSA-N 1 2 327.388 0.228 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000078256151 436263599 /nfs/dbraw/zinc/26/35/99/436263599.db2.gz RZHZUNOLXRSSLZ-CQSZACIVSA-N 1 2 326.404 0.836 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 ZINC000041592888 436279184 /nfs/dbraw/zinc/27/91/84/436279184.db2.gz ZZUNOOKUNRUELA-UHFFFAOYSA-N 1 2 340.383 0.351 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000044714747 436346338 /nfs/dbraw/zinc/34/63/38/436346338.db2.gz HVHPZUPRJUZYDA-AWEZNQCLSA-N 1 2 326.404 0.836 20 30 ECEDLO C#CCN1CCN(C(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000081643681 436353385 /nfs/dbraw/zinc/35/33/85/436353385.db2.gz YLHNGBRSDGGYPG-UHFFFAOYSA-N 1 2 344.434 0.725 20 30 ECEDLO CC(=O)N1CC[NH+](CCNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000045852538 436377932 /nfs/dbraw/zinc/37/79/32/436377932.db2.gz HQHUEBLVWSRTPQ-CQSZACIVSA-N 1 2 344.415 0.606 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(C)c(C(=O)OC)c2)CC1 ZINC000085280605 436388576 /nfs/dbraw/zinc/38/85/76/436388576.db2.gz ZOJVFDQGPNGKGQ-UHFFFAOYSA-N 1 2 329.400 0.971 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)Cc3cn[nH]c3)CC2)o1 ZINC000085825264 436392975 /nfs/dbraw/zinc/39/29/75/436392975.db2.gz NUBVCHQDLDCSTB-UHFFFAOYSA-N 1 2 343.391 0.358 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)Cc3cn[nH]c3)CC2)o1 ZINC000085825264 436392976 /nfs/dbraw/zinc/39/29/76/436392976.db2.gz NUBVCHQDLDCSTB-UHFFFAOYSA-N 1 2 343.391 0.358 20 30 ECEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000088523645 436402242 /nfs/dbraw/zinc/40/22/42/436402242.db2.gz ZAIHEERTKDIMQC-KRWDZBQOSA-N 1 2 328.416 0.728 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](CC(N)=O)C(C)(C)C)CC1 ZINC000091595260 436454300 /nfs/dbraw/zinc/45/43/00/436454300.db2.gz ZZYPQNAZUNDFQK-AWEZNQCLSA-N 1 2 337.468 0.265 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](CC(N)=O)C(C)(C)C)CC1 ZINC000091595260 436454304 /nfs/dbraw/zinc/45/43/04/436454304.db2.gz ZZYPQNAZUNDFQK-AWEZNQCLSA-N 1 2 337.468 0.265 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051148365 436484697 /nfs/dbraw/zinc/48/46/97/436484697.db2.gz RNWTYUVMVMTGIV-UHFFFAOYSA-N 1 2 348.403 0.893 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+]([C@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000053423355 436532222 /nfs/dbraw/zinc/53/22/22/436532222.db2.gz VDYPUVXALPTHHV-MRXNPFEDSA-N 1 2 336.480 0.553 20 30 ECEDLO N#C[C@@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CCO1 ZINC000106329239 436591114 /nfs/dbraw/zinc/59/11/14/436591114.db2.gz YSOIZWKSAOXNAZ-QGZVFWFLSA-N 1 2 344.415 0.953 20 30 ECEDLO CC(=O)N1CC[NH+](CCNC(=O)/C=C/c2ccccc2C#N)CC1 ZINC000060508788 436633615 /nfs/dbraw/zinc/63/36/15/436633615.db2.gz DAAGFCULYVMHBL-VOTSOKGWSA-N 1 2 326.400 0.852 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(C)c2O)CC1 ZINC000113433467 436637675 /nfs/dbraw/zinc/63/76/75/436637675.db2.gz OBWHBFIMVPLCFK-UHFFFAOYSA-N 1 2 329.400 0.598 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(C)c2O)CC1 ZINC000113433467 436637677 /nfs/dbraw/zinc/63/76/77/436637677.db2.gz OBWHBFIMVPLCFK-UHFFFAOYSA-N 1 2 329.400 0.598 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000193793878 436652677 /nfs/dbraw/zinc/65/26/77/436652677.db2.gz XUFNQETYSJFQDV-LBPRGKRZSA-N 1 2 335.429 0.554 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000193793878 436652681 /nfs/dbraw/zinc/65/26/81/436652681.db2.gz XUFNQETYSJFQDV-LBPRGKRZSA-N 1 2 335.429 0.554 20 30 ECEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116890601 436653339 /nfs/dbraw/zinc/65/33/39/436653339.db2.gz RPHPQTCJXWJRQK-RISCZKNCSA-N 1 2 336.417 0.509 20 30 ECEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116890601 436653341 /nfs/dbraw/zinc/65/33/41/436653341.db2.gz RPHPQTCJXWJRQK-RISCZKNCSA-N 1 2 336.417 0.509 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1 ZINC000064432501 436649529 /nfs/dbraw/zinc/64/95/29/436649529.db2.gz XCJFQVWJGSQHQI-UHFFFAOYSA-N 1 2 349.412 0.461 20 30 ECEDLO C#CC[N@@H+](CCC(=O)Nc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 ZINC000066538849 436687923 /nfs/dbraw/zinc/68/79/23/436687923.db2.gz GWLFXMPQIQEMAW-LBPRGKRZSA-N 1 2 325.390 0.434 20 30 ECEDLO C#CC[N@H+](CCC(=O)Nc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 ZINC000066538849 436687927 /nfs/dbraw/zinc/68/79/27/436687927.db2.gz GWLFXMPQIQEMAW-LBPRGKRZSA-N 1 2 325.390 0.434 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc2[nH]c(=O)oc21 ZINC000120569378 436692996 /nfs/dbraw/zinc/69/29/96/436692996.db2.gz IQCHYVOQNQFPPS-UHFFFAOYSA-N 1 2 344.371 0.809 20 30 ECEDLO C=CCNC(=O)NC(=O)CN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000118837160 436663588 /nfs/dbraw/zinc/66/35/88/436663588.db2.gz YAGAPFNJFJIOQR-AWEZNQCLSA-N 1 2 331.420 0.772 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCO[C@@H](C)[C@@H]3C)CC2)o1 ZINC000139254095 436664250 /nfs/dbraw/zinc/66/42/50/436664250.db2.gz AUIXPEDMOURJLC-STQMWFEESA-N 1 2 347.419 0.613 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCO[C@@H](C)[C@@H]3C)CC2)o1 ZINC000139254095 436664252 /nfs/dbraw/zinc/66/42/52/436664252.db2.gz AUIXPEDMOURJLC-STQMWFEESA-N 1 2 347.419 0.613 20 30 ECEDLO COc1ccc(C(N)=[NH+]OCC(=O)N2CCC3(CC2)OCCO3)cc1 ZINC000269372079 436664899 /nfs/dbraw/zinc/66/48/99/436664899.db2.gz MNMYPCQQOCWFKQ-UHFFFAOYSA-N 1 2 349.387 0.698 20 30 ECEDLO C=CCNC(=O)NC(=O)CN1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000065681997 436670831 /nfs/dbraw/zinc/67/08/31/436670831.db2.gz WMEDZLJBHWJUPX-UHFFFAOYSA-N 1 2 335.408 0.421 20 30 ECEDLO N#CCOc1cccc(CC(=O)NCCC[N@@H+]2CCNC(=O)C2)c1 ZINC000271052095 436677286 /nfs/dbraw/zinc/67/72/86/436677286.db2.gz TXFYHETUTIBRNP-UHFFFAOYSA-N 1 2 330.388 0.070 20 30 ECEDLO N#CCOc1cccc(CC(=O)NCCC[N@H+]2CCNC(=O)C2)c1 ZINC000271052095 436677287 /nfs/dbraw/zinc/67/72/87/436677287.db2.gz TXFYHETUTIBRNP-UHFFFAOYSA-N 1 2 330.388 0.070 20 30 ECEDLO CCOC1CC(CNC(=O)c2ccc(C#N)cn2)([NH+]2CCOCC2)C1 ZINC000195198181 436682244 /nfs/dbraw/zinc/68/22/44/436682244.db2.gz GWKUZVZZFJHPEW-UHFFFAOYSA-N 1 2 344.415 0.953 20 30 ECEDLO Cc1nc(CC(N)=[NH+]OCC(=O)NCC(=O)OC(C)(C)C)cs1 ZINC000272940113 436732078 /nfs/dbraw/zinc/73/20/78/436732078.db2.gz KLOCKRKKPZUVNN-UHFFFAOYSA-N 1 2 342.421 0.741 20 30 ECEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000122884105 436737984 /nfs/dbraw/zinc/73/79/84/436737984.db2.gz UOWURMRDKUTUJC-SWLSCSKDSA-N 1 2 335.429 0.854 20 30 ECEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000122884105 436737986 /nfs/dbraw/zinc/73/79/86/436737986.db2.gz UOWURMRDKUTUJC-SWLSCSKDSA-N 1 2 335.429 0.854 20 30 ECEDLO COC(=O)CCNC(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000121441438 436715406 /nfs/dbraw/zinc/71/54/06/436715406.db2.gz ZVDXKXNVUMIQQO-MRXNPFEDSA-N 1 2 344.415 0.548 20 30 ECEDLO C[C@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)[C@H]1C[N@H+](C)CCO1 ZINC000125803296 436776059 /nfs/dbraw/zinc/77/60/59/436776059.db2.gz KHWWWWCXIWBCCT-TVQRCGJNSA-N 1 2 345.371 0.834 20 30 ECEDLO C[C@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000125803296 436776061 /nfs/dbraw/zinc/77/60/61/436776061.db2.gz KHWWWWCXIWBCCT-TVQRCGJNSA-N 1 2 345.371 0.834 20 30 ECEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCN(CCOC)C(=O)C1 ZINC000131681604 436855477 /nfs/dbraw/zinc/85/54/77/436855477.db2.gz OLWUITDYNOOUAA-KRWDZBQOSA-N 1 2 348.443 0.945 20 30 ECEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCN(CCOC)C(=O)C1 ZINC000131681604 436855479 /nfs/dbraw/zinc/85/54/79/436855479.db2.gz OLWUITDYNOOUAA-KRWDZBQOSA-N 1 2 348.443 0.945 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)c(F)c1 ZINC000157989405 436837385 /nfs/dbraw/zinc/83/73/85/436837385.db2.gz WWFPQFKBOUKZKW-UHFFFAOYSA-N 1 2 327.381 0.698 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H]2CCC(=O)[C@@H]2C)CC1 ZINC000280469465 436897321 /nfs/dbraw/zinc/89/73/21/436897321.db2.gz IBBHINSKOOGOLC-HUUCEWRRSA-N 1 2 333.432 0.275 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2CCC(=O)[C@@H]2C)CC1 ZINC000280469465 436897323 /nfs/dbraw/zinc/89/73/23/436897323.db2.gz IBBHINSKOOGOLC-HUUCEWRRSA-N 1 2 333.432 0.275 20 30 ECEDLO N#CC1(CS(=O)(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000165750555 436938561 /nfs/dbraw/zinc/93/85/61/436938561.db2.gz PRAJIGINRZAUOK-AWEZNQCLSA-N 1 2 327.450 0.807 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000283116004 437024525 /nfs/dbraw/zinc/02/45/25/437024525.db2.gz YNSYWOHIFKWYGG-AWEZNQCLSA-N 1 2 337.449 0.678 20 30 ECEDLO Cc1nc(N2CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC2)cc[nH+]1 ZINC000282476393 437013724 /nfs/dbraw/zinc/01/37/24/437013724.db2.gz XETARWSHDWRFTP-LBPRGKRZSA-N 1 2 338.437 0.243 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000298762267 437052695 /nfs/dbraw/zinc/05/26/95/437052695.db2.gz QAZFESSLBIAHRH-ZDUSSCGKSA-N 1 2 344.419 0.063 20 30 ECEDLO C=CCN(CC=C)C(=O)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000284317647 437053219 /nfs/dbraw/zinc/05/32/19/437053219.db2.gz VISVLMXZFQNVIG-UHFFFAOYSA-N 1 2 344.415 0.735 20 30 ECEDLO CC[C@@](C)(C#N)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000285617420 437078699 /nfs/dbraw/zinc/07/86/99/437078699.db2.gz WVBZFYYKXPKIMI-INIZCTEOSA-N 1 2 327.392 0.952 20 30 ECEDLO COc1cc2nc(NCCn3cnc(C#N)n3)[nH+]c(N)c2cc1OC ZINC000286183924 437087312 /nfs/dbraw/zinc/08/73/12/437087312.db2.gz ACLFJKTYISLRCD-UHFFFAOYSA-N 1 2 340.347 0.804 20 30 ECEDLO C#CCSCCNC(=O)N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000175219758 437097229 /nfs/dbraw/zinc/09/72/29/437097229.db2.gz GSFHCPXOBCZLJC-UHFFFAOYSA-N 1 2 340.493 0.548 20 30 ECEDLO C#CCNC(=O)c1ccc(N2CC[NH+](CC(=O)NC(C)C)CC2)nc1 ZINC000301238038 437116902 /nfs/dbraw/zinc/11/69/02/437116902.db2.gz NCBTWQULDSUANW-UHFFFAOYSA-N 1 2 343.431 0.091 20 30 ECEDLO CC(C)[C@H](CNS(=O)(=O)c1cccnc1C#N)[NH+]1CCOCC1 ZINC000277038828 437187303 /nfs/dbraw/zinc/18/73/03/437187303.db2.gz OYACPONNAZDYMB-AWEZNQCLSA-N 1 2 338.433 0.588 20 30 ECEDLO N#C[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CCO1 ZINC000332021183 437196870 /nfs/dbraw/zinc/19/68/70/437196870.db2.gz FYWADYHLAUTADT-AWEZNQCLSA-N 1 2 331.376 0.352 20 30 ECEDLO C#CCNc1nc(N(C)CC[C@H](C)O)[nH+]c(N(C)CC[C@H](C)O)n1 ZINC000287178687 437168091 /nfs/dbraw/zinc/16/80/91/437168091.db2.gz GROCIHCDWVFOCK-STQMWFEESA-N 1 2 336.440 0.331 20 30 ECEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3cccc(C#N)c3)C[C@@H]21 ZINC000332446547 437224540 /nfs/dbraw/zinc/22/45/40/437224540.db2.gz LGVYMSLJFJRBRY-GJZGRUSLSA-N 1 2 328.372 0.428 20 30 ECEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3cccc(C#N)c3)C[C@@H]21 ZINC000332446547 437224542 /nfs/dbraw/zinc/22/45/42/437224542.db2.gz LGVYMSLJFJRBRY-GJZGRUSLSA-N 1 2 328.372 0.428 20 30 ECEDLO CO[C@H]1C[C@H](NC(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)C1(C)C ZINC000332448086 437225084 /nfs/dbraw/zinc/22/50/84/437225084.db2.gz GHTZUSFSIIRZIF-STQMWFEESA-N 1 2 336.436 0.362 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)cc1 ZINC000325845600 437232820 /nfs/dbraw/zinc/23/28/20/437232820.db2.gz YYLGEJQOZPPLQO-GOEBONIOSA-N 1 2 347.440 0.932 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)cc1 ZINC000325845600 437232823 /nfs/dbraw/zinc/23/28/23/437232823.db2.gz YYLGEJQOZPPLQO-GOEBONIOSA-N 1 2 347.440 0.932 20 30 ECEDLO C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cc[nH+]cc2O)c1 ZINC000336888727 437306071 /nfs/dbraw/zinc/30/60/71/437306071.db2.gz FOOBGNIJJCOZBP-UHFFFAOYSA-N 1 2 333.369 0.926 20 30 ECEDLO C[C@H](C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1)n1cnc(C#N)n1 ZINC000336954104 437318643 /nfs/dbraw/zinc/31/86/43/437318643.db2.gz SXTJTWALUJIAKK-CYBMUJFWSA-N 1 2 340.387 0.761 20 30 ECEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H](C)n1cnc(C#N)n1 ZINC000336959417 437320439 /nfs/dbraw/zinc/32/04/39/437320439.db2.gz BRXDDFXIVGKTMC-LBPRGKRZSA-N 1 2 341.375 0.890 20 30 ECEDLO CN(C)c1ncccc1CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328871724 437274887 /nfs/dbraw/zinc/27/48/87/437274887.db2.gz IKWMYDGTONACCC-CABCVRRESA-N 1 2 333.436 0.967 20 30 ECEDLO CN(C)c1ncccc1CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328871724 437274891 /nfs/dbraw/zinc/27/48/91/437274891.db2.gz IKWMYDGTONACCC-CABCVRRESA-N 1 2 333.436 0.967 20 30 ECEDLO CO[C@H]1C[C@@H](CN(C)[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)[N@H+](C)C1 ZINC000329001054 437300025 /nfs/dbraw/zinc/30/00/25/437300025.db2.gz GWSMKGLZRDEBOR-RFGFWPKPSA-N 1 2 347.481 0.169 20 30 ECEDLO CO[C@H]1C[C@@H](CN(C)[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)[N@@H+](C)C1 ZINC000329001054 437300029 /nfs/dbraw/zinc/30/00/29/437300029.db2.gz GWSMKGLZRDEBOR-RFGFWPKPSA-N 1 2 347.481 0.169 20 30 ECEDLO C[C@H](NC(=O)N1CCOC[C@@H]1[C@@H]1CCCO1)[C@H](C)[NH+]1CCOCC1 ZINC000329252317 437340383 /nfs/dbraw/zinc/34/03/83/437340383.db2.gz YNDIOJZQUGOLSW-JONQDZQNSA-N 1 2 341.452 0.889 20 30 ECEDLO CNC(=O)[C@@H]1C[N@H+](Cc2c(C)nn(C)c2N2CCOCC2)CCO1 ZINC000329277483 437345660 /nfs/dbraw/zinc/34/56/60/437345660.db2.gz CMLQUZBTJJCRQU-AWEZNQCLSA-N 1 2 337.424 0.352 20 30 ECEDLO CNC(=O)[C@@H]1C[N@@H+](Cc2c(C)nn(C)c2N2CCOCC2)CCO1 ZINC000329277483 437345665 /nfs/dbraw/zinc/34/56/65/437345665.db2.gz CMLQUZBTJJCRQU-AWEZNQCLSA-N 1 2 337.424 0.352 20 30 ECEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000329346083 437355253 /nfs/dbraw/zinc/35/52/53/437355253.db2.gz UYOYSTLHDHDZEL-HUUCEWRRSA-N 1 2 334.468 0.759 20 30 ECEDLO O=C(N[C@@H]1CCCS(=O)(=O)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000329379829 437358967 /nfs/dbraw/zinc/35/89/67/437358967.db2.gz NDIVWTQGMQRGQK-CYBMUJFWSA-N 1 2 338.433 0.695 20 30 ECEDLO C[C@H](C#N)CNC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000182800034 437361759 /nfs/dbraw/zinc/36/17/59/437361759.db2.gz NWTJXXHJVOEUEZ-HUUCEWRRSA-N 1 2 335.452 0.874 20 30 ECEDLO C[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)C(=O)N1CCCC[C@@H]1C ZINC000329427048 437367922 /nfs/dbraw/zinc/36/79/22/437367922.db2.gz GQZFADNJFIYLTK-SOUVJXGZSA-N 1 2 339.484 0.525 20 30 ECEDLO C[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)C(=O)N1CCCC[C@@H]1C ZINC000329427048 437367925 /nfs/dbraw/zinc/36/79/25/437367925.db2.gz GQZFADNJFIYLTK-SOUVJXGZSA-N 1 2 339.484 0.525 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000337072821 437326765 /nfs/dbraw/zinc/32/67/65/437326765.db2.gz PRXBKHYVXVAWDK-UHFFFAOYSA-N 1 2 340.453 0.018 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1cccc(OCC#N)c1 ZINC000267636104 437328940 /nfs/dbraw/zinc/32/89/40/437328940.db2.gz YHXUSEBHVHMFAI-HNNXBMFYSA-N 1 2 348.403 0.746 20 30 ECEDLO CC(C)[C@@H](C(=O)NCC[NH+]1CCOCC1)N1CCCS1(=O)=O ZINC000329204496 437333520 /nfs/dbraw/zinc/33/35/20/437333520.db2.gz WRNJSVOBBTUNOR-ZDUSSCGKSA-N 1 2 333.454 0.335 20 30 ECEDLO CC[C@H]1C[N@H+](CCNS(=O)(=O)N(CC)C[C@H](C)C#N)CCO1 ZINC000337131845 437335107 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/nfs/dbraw/zinc/77/09/86/437770986.db2.gz AMIGEPRTMPRKOW-CQSZACIVSA-N 1 2 344.415 0.606 20 30 ECEDLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000363151073 437770992 /nfs/dbraw/zinc/77/09/92/437770992.db2.gz AMIGEPRTMPRKOW-CQSZACIVSA-N 1 2 344.415 0.606 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000331243458 437725219 /nfs/dbraw/zinc/72/52/19/437725219.db2.gz ODLBDMOWVUBNQP-UONOGXRCSA-N 1 2 342.465 0.247 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000331243458 437725224 /nfs/dbraw/zinc/72/52/24/437725224.db2.gz ODLBDMOWVUBNQP-UONOGXRCSA-N 1 2 342.465 0.247 20 30 ECEDLO N#CCNC(=O)C[N@@H+](CCO)Cc1ccc(Br)s1 ZINC000362250797 437726737 /nfs/dbraw/zinc/72/67/37/437726737.db2.gz QRCXWSRJWQWUDF-UHFFFAOYSA-N 1 2 332.223 0.945 20 30 ECEDLO N#CCNC(=O)C[N@H+](CCO)Cc1ccc(Br)s1 ZINC000362250797 437726738 /nfs/dbraw/zinc/72/67/38/437726738.db2.gz QRCXWSRJWQWUDF-UHFFFAOYSA-N 1 2 332.223 0.945 20 30 ECEDLO CCc1cnc(N2CC[NH+]([C@H](C)C(=O)NC(=O)NC)CC2)s1 ZINC000331262235 437728383 /nfs/dbraw/zinc/72/83/83/437728383.db2.gz CYZORTFXEBPBPZ-SNVBAGLBSA-N 1 2 325.438 0.876 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000363533180 437795563 /nfs/dbraw/zinc/79/55/63/437795563.db2.gz ASGHMLKKKZVEPN-ZIAGYGMSSA-N 1 2 329.466 0.589 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000363533180 437795567 /nfs/dbraw/zinc/79/55/67/437795567.db2.gz ASGHMLKKKZVEPN-ZIAGYGMSSA-N 1 2 329.466 0.589 20 30 ECEDLO N#CCN(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC000363554370 437797021 /nfs/dbraw/zinc/79/70/21/437797021.db2.gz GAVCDNRSWAELBE-HNNXBMFYSA-N 1 2 348.447 0.462 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000370792123 437841884 /nfs/dbraw/zinc/84/18/84/437841884.db2.gz HERZGNLIAXHKJO-YVEFUNNKSA-N 1 2 347.419 0.344 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000370792123 437841886 /nfs/dbraw/zinc/84/18/86/437841886.db2.gz HERZGNLIAXHKJO-YVEFUNNKSA-N 1 2 347.419 0.344 20 30 ECEDLO C=CC[C@H](CO)CNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000341857271 437914173 /nfs/dbraw/zinc/91/41/73/437914173.db2.gz AEBCAJIRVXHVEY-AWEZNQCLSA-N 1 2 334.420 0.902 20 30 ECEDLO C[N@@H+]1CCN(C2CCN(C(=O)c3cc(C#N)cs3)CC2)C(=O)C1 ZINC000371672764 437974739 /nfs/dbraw/zinc/97/47/39/437974739.db2.gz VEFIKZAYVRBLQT-UHFFFAOYSA-N 1 2 332.429 0.998 20 30 ECEDLO C[N@H+]1CCN(C2CCN(C(=O)c3cc(C#N)cs3)CC2)C(=O)C1 ZINC000371672764 437974743 /nfs/dbraw/zinc/97/47/43/437974743.db2.gz VEFIKZAYVRBLQT-UHFFFAOYSA-N 1 2 332.429 0.998 20 30 ECEDLO C=CCC1(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CCOCC1 ZINC000424701728 437987070 /nfs/dbraw/zinc/98/70/70/437987070.db2.gz FDRGIQMLXLSSJT-OAHLLOKOSA-N 1 2 326.437 0.511 20 30 ECEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N[C@H](CO)C[NH+]2CCOCC2)cc1 ZINC000425298529 438020729 /nfs/dbraw/zinc/02/07/29/438020729.db2.gz WYWBEYHRXOMPRZ-SJORKVTESA-N 1 2 342.399 0.050 20 30 ECEDLO C=CCCO[C@H](C)C(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000366274039 438046150 /nfs/dbraw/zinc/04/61/50/438046150.db2.gz VOSLNJMTXCKFRR-NVXWUHKLSA-N 1 2 326.437 0.965 20 30 ECEDLO C=CCOCCCC(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000366297108 438047961 /nfs/dbraw/zinc/04/79/61/438047961.db2.gz KEXDDOOUYKRZJC-QGZVFWFLSA-N 1 2 326.437 0.967 20 30 ECEDLO C=CCn1cc(CNC(=O)c2ccc(C[NH+]3CCOCC3)cn2)nn1 ZINC000424907729 437996322 /nfs/dbraw/zinc/99/63/22/437996322.db2.gz LEDKNQFLBDXGLR-UHFFFAOYSA-N 1 2 342.403 0.621 20 30 ECEDLO COc1cc(OC)cc(N2CC[C@H]([N@H+](C)CC(=O)NCC#N)C2=O)c1 ZINC000357916311 438098950 /nfs/dbraw/zinc/09/89/50/438098950.db2.gz QNJHCRAJMZWEEK-HNNXBMFYSA-N 1 2 346.387 0.381 20 30 ECEDLO COc1cc(OC)cc(N2CC[C@H]([N@@H+](C)CC(=O)NCC#N)C2=O)c1 ZINC000357916311 438098955 /nfs/dbraw/zinc/09/89/55/438098955.db2.gz QNJHCRAJMZWEEK-HNNXBMFYSA-N 1 2 346.387 0.381 20 30 ECEDLO C=CCOC[C@@H]1NC(=O)N(Cc2cc[nH+]c(N3CCOCC3)c2)C1=O ZINC000348451036 438064396 /nfs/dbraw/zinc/06/43/96/438064396.db2.gz AHOAYSPWGVTANJ-AWEZNQCLSA-N 1 2 346.387 0.541 20 30 ECEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000373315750 438143042 /nfs/dbraw/zinc/14/30/42/438143042.db2.gz FPGCVWJEGFBYES-AWEZNQCLSA-N 1 2 329.335 1.152 20 30 ECEDLO C[N@H+]1CCO[C@H](C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000373315750 438143046 /nfs/dbraw/zinc/14/30/46/438143046.db2.gz FPGCVWJEGFBYES-AWEZNQCLSA-N 1 2 329.335 1.152 20 30 ECEDLO C#CCNC(=O)C1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000373482663 438152886 /nfs/dbraw/zinc/15/28/86/438152886.db2.gz SSVJRYJGONXHIL-QGZVFWFLSA-N 1 2 347.459 0.618 20 30 ECEDLO C#CCNC(=O)C1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000373482663 438152892 /nfs/dbraw/zinc/15/28/92/438152892.db2.gz SSVJRYJGONXHIL-QGZVFWFLSA-N 1 2 347.459 0.618 20 30 ECEDLO Cc1nn(C)c(N2CCN(c3nc(C)[nH+]c(N(C)C)n3)CC2)c1C#N ZINC000350669334 438227494 /nfs/dbraw/zinc/22/74/94/438227494.db2.gz KNPMWJIUZOVWBJ-UHFFFAOYSA-N 1 2 341.423 0.486 20 30 ECEDLO Cc1nn(C)c(N2CCN(c3nc(N(C)C)nc(C)[nH+]3)CC2)c1C#N ZINC000350669334 438227496 /nfs/dbraw/zinc/22/74/96/438227496.db2.gz KNPMWJIUZOVWBJ-UHFFFAOYSA-N 1 2 341.423 0.486 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](OCc2c(C)noc2C)C1 ZINC000375161254 438242357 /nfs/dbraw/zinc/24/23/57/438242357.db2.gz SDIKSVSOPITEBZ-ZDUSSCGKSA-N 1 2 336.392 0.894 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](OCc2c(C)noc2C)C1 ZINC000375161254 438242359 /nfs/dbraw/zinc/24/23/59/438242359.db2.gz SDIKSVSOPITEBZ-ZDUSSCGKSA-N 1 2 336.392 0.894 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000374453966 438210838 /nfs/dbraw/zinc/21/08/38/438210838.db2.gz TTZLKOZHFJOOOV-MCIONIFRSA-N 1 2 330.454 0.166 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000374453966 438210839 /nfs/dbraw/zinc/21/08/39/438210839.db2.gz TTZLKOZHFJOOOV-MCIONIFRSA-N 1 2 330.454 0.166 20 30 ECEDLO C=C(CC)C[NH+]1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000358623230 438268488 /nfs/dbraw/zinc/26/84/88/438268488.db2.gz HLMCPEKJOAOWAI-GJZGRUSLSA-N 1 2 331.482 0.924 20 30 ECEDLO C#CCC(C)(C)C(=O)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000376945874 438297967 /nfs/dbraw/zinc/29/79/67/438297967.db2.gz AKEKFQRPVLYCCZ-HNNXBMFYSA-N 1 2 335.448 0.475 20 30 ECEDLO C=CCOC[C@@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C(=O)OC ZINC000435947256 438392669 /nfs/dbraw/zinc/39/26/69/438392669.db2.gz DGSLEUVKOQIOMR-CABCVRRESA-N 1 2 340.420 0.490 20 30 ECEDLO C=CCOC[C@@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C(=O)OC ZINC000435947256 438392674 /nfs/dbraw/zinc/39/26/74/438392674.db2.gz DGSLEUVKOQIOMR-CABCVRRESA-N 1 2 340.420 0.490 20 30 ECEDLO CN(CCC#N)S(=O)(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000359123005 438359685 /nfs/dbraw/zinc/35/96/85/438359685.db2.gz NPMDWTXICZCSKA-UHFFFAOYSA-N 1 2 325.316 0.625 20 30 ECEDLO Cc1cnc(COCC(=O)N(CCC#N)CC[NH+]2CCOCC2)o1 ZINC000351950715 438362169 /nfs/dbraw/zinc/36/21/69/438362169.db2.gz HAAJJYQQQBIMIW-UHFFFAOYSA-N 1 2 336.392 0.574 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000435585896 438370625 /nfs/dbraw/zinc/37/06/25/438370625.db2.gz WQYVMKAGDONZCX-CABCVRRESA-N 1 2 332.466 0.609 20 30 ECEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000352236698 438399264 /nfs/dbraw/zinc/39/92/64/438399264.db2.gz FHJFYJYALKVNSU-OAHLLOKOSA-N 1 2 347.463 0.925 20 30 ECEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC(CNS(C)(=O)=O)CC1)C1CC1 ZINC000352257808 438404327 /nfs/dbraw/zinc/40/43/27/438404327.db2.gz XYXHPLDQGOUVLF-OAHLLOKOSA-N 1 2 342.465 0.056 20 30 ECEDLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000420432250 438407441 /nfs/dbraw/zinc/40/74/41/438407441.db2.gz BGYLGVPHIYWGIC-CYBMUJFWSA-N 1 2 342.352 0.789 20 30 ECEDLO N#CC1(C(=O)N2CC[NH+](C3(C(N)=O)CCCCC3)CC2)CCOCC1 ZINC000369338038 438454710 /nfs/dbraw/zinc/45/47/10/438454710.db2.gz MFORXQVJZMMLAX-UHFFFAOYSA-N 1 2 348.447 0.639 20 30 ECEDLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C#N)nc2)CC1 ZINC000369363405 438459383 /nfs/dbraw/zinc/45/93/83/438459383.db2.gz LDUXDCYGGXFFOU-UHFFFAOYSA-N 1 2 329.404 0.626 20 30 ECEDLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C#N)nc2)CC1 ZINC000369363405 438459387 /nfs/dbraw/zinc/45/93/87/438459387.db2.gz LDUXDCYGGXFFOU-UHFFFAOYSA-N 1 2 329.404 0.626 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000437981720 438462050 /nfs/dbraw/zinc/46/20/50/438462050.db2.gz BFMAUSBYXOMYIL-JYJNAYRXSA-N 1 2 341.452 0.302 20 30 ECEDLO Cn1ncc(C(=O)N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)c1C#N ZINC000442843464 438628264 /nfs/dbraw/zinc/62/82/64/438628264.db2.gz JYSFMSCLYIYEPB-KRWDZBQOSA-N 1 2 347.419 0.828 20 30 ECEDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)nc1 ZINC000452062687 438632097 /nfs/dbraw/zinc/63/20/97/438632097.db2.gz ZAGBQHITMNQJFV-CQSZACIVSA-N 1 2 331.420 0.973 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000452100123 438640103 /nfs/dbraw/zinc/64/01/03/438640103.db2.gz DCMMRTOSASBRKC-GFCCVEGCSA-N 1 2 341.408 0.526 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000452100123 438640106 /nfs/dbraw/zinc/64/01/06/438640106.db2.gz DCMMRTOSASBRKC-GFCCVEGCSA-N 1 2 341.408 0.526 20 30 ECEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000453652943 438687302 /nfs/dbraw/zinc/68/73/02/438687302.db2.gz FPJAXHQEAKEXQC-INIZCTEOSA-N 1 2 342.399 0.738 20 30 ECEDLO C[C@H](Oc1ccccn1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000449819023 438688107 /nfs/dbraw/zinc/68/81/07/438688107.db2.gz OUYFOGNFVLABDY-HNNXBMFYSA-N 1 2 332.404 0.923 20 30 ECEDLO C[N@H+](CCC#N)C[C@H](O)CN1C(=O)C[C@H](Cc2ccccc2)C1=O ZINC000414128802 438699937 /nfs/dbraw/zinc/69/99/37/438699937.db2.gz SYBAQDQQBVEDCT-HOTGVXAUSA-N 1 2 329.400 0.811 20 30 ECEDLO C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)C[C@H](Cc2ccccc2)C1=O ZINC000414128802 438699940 /nfs/dbraw/zinc/69/99/40/438699940.db2.gz SYBAQDQQBVEDCT-HOTGVXAUSA-N 1 2 329.400 0.811 20 30 ECEDLO CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000549104145 438735429 /nfs/dbraw/zinc/73/54/29/438735429.db2.gz BCNMGGPTYXYHFO-UHFFFAOYSA-N 1 2 334.424 0.365 20 30 ECEDLO CNC(=O)C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000455462428 438745601 /nfs/dbraw/zinc/74/56/01/438745601.db2.gz LYVXOFXIVSVPIR-CQSZACIVSA-N 1 2 343.431 0.910 20 30 ECEDLO Cn1cnc2cncc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)c21 ZINC000601023792 438811384 /nfs/dbraw/zinc/81/13/84/438811384.db2.gz NLKOLNIZDIEVNI-UHFFFAOYSA-N 1 2 342.403 0.656 20 30 ECEDLO Cc1cccn2cc(CCNC(=O)NCCn3cnc(C#N)n3)[nH+]c12 ZINC000588153433 438822628 /nfs/dbraw/zinc/82/26/28/438822628.db2.gz QHTUJRLCJJVAIQ-UHFFFAOYSA-N 1 2 338.375 0.648 20 30 ECEDLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)CC1(C#N)CCCC1 ZINC000577206670 438823078 /nfs/dbraw/zinc/82/30/78/438823078.db2.gz KCDJCHGYWZIRPQ-KBPBESRZSA-N 1 2 329.466 0.787 20 30 ECEDLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)CC1(C#N)CCCC1 ZINC000577206670 438823084 /nfs/dbraw/zinc/82/30/84/438823084.db2.gz KCDJCHGYWZIRPQ-KBPBESRZSA-N 1 2 329.466 0.787 20 30 ECEDLO CN(CC(C)(C)C#N)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000457867788 438836387 /nfs/dbraw/zinc/83/63/87/438836387.db2.gz DAULGPAYXWUMQW-UHFFFAOYSA-N 1 2 345.451 0.790 20 30 ECEDLO C[N@@H+]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)[C@H](CO)C1 ZINC000601468329 438905401 /nfs/dbraw/zinc/90/54/01/438905401.db2.gz AVXXHCZMVQLSNO-ZDUSSCGKSA-N 1 2 327.381 0.135 20 30 ECEDLO C[N@H+]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)[C@H](CO)C1 ZINC000601468329 438905406 /nfs/dbraw/zinc/90/54/06/438905406.db2.gz AVXXHCZMVQLSNO-ZDUSSCGKSA-N 1 2 327.381 0.135 20 30 ECEDLO Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000563220603 438860335 /nfs/dbraw/zinc/86/03/35/438860335.db2.gz RZGTTXXLTKBCFU-INIZCTEOSA-N 1 2 330.392 0.554 20 30 ECEDLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000595823608 438868672 /nfs/dbraw/zinc/86/86/72/438868672.db2.gz OXJFLAKUAHSBAW-GJZGRUSLSA-N 1 2 329.404 0.772 20 30 ECEDLO CN(C)C(=O)N(C)[C@H]1CC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000595823608 438868680 /nfs/dbraw/zinc/86/86/80/438868680.db2.gz OXJFLAKUAHSBAW-GJZGRUSLSA-N 1 2 329.404 0.772 20 30 ECEDLO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595842021 438870236 /nfs/dbraw/zinc/87/02/36/438870236.db2.gz XPQSKKOJFCNUAU-YOEHRIQHSA-N 1 2 328.420 0.749 20 30 ECEDLO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595842021 438870237 /nfs/dbraw/zinc/87/02/37/438870237.db2.gz XPQSKKOJFCNUAU-YOEHRIQHSA-N 1 2 328.420 0.749 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000515865146 438884868 /nfs/dbraw/zinc/88/48/68/438884868.db2.gz YHAIQJJCRNQLBX-HNNXBMFYSA-N 1 2 345.447 0.612 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000589827795 438887293 /nfs/dbraw/zinc/88/72/93/438887293.db2.gz GLGBKJUOMQSDAG-OAHLLOKOSA-N 1 2 335.408 0.201 20 30 ECEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@H](C#N)C1 ZINC000578287065 438910179 /nfs/dbraw/zinc/91/01/79/438910179.db2.gz UOJIWBSBOTZRHW-ZIAGYGMSSA-N 1 2 333.392 0.234 20 30 ECEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@H](C#N)C1 ZINC000578287065 438910184 /nfs/dbraw/zinc/91/01/84/438910184.db2.gz UOJIWBSBOTZRHW-ZIAGYGMSSA-N 1 2 333.392 0.234 20 30 ECEDLO C=CCn1cc(CNC(=O)N2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)nn1 ZINC000565418420 438948861 /nfs/dbraw/zinc/94/88/61/438948861.db2.gz LWCBLGSVIPYAAI-CQSZACIVSA-N 1 2 344.423 0.776 20 30 ECEDLO CC1CC[NH+](CC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CC1 ZINC000601739292 438963817 /nfs/dbraw/zinc/96/38/17/438963817.db2.gz GZGFZVLVITYEPZ-UHFFFAOYSA-N 1 2 332.408 0.788 20 30 ECEDLO COCC(COC)[NH+]1CCN(C(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000591087321 438982181 /nfs/dbraw/zinc/98/21/81/438982181.db2.gz BYUPICTYJVRUOU-UHFFFAOYSA-N 1 2 333.388 0.683 20 30 ECEDLO CC1(C)C[C@]1(C#N)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000565985787 438993652 /nfs/dbraw/zinc/99/36/52/438993652.db2.gz WZLWHXPROUIZRV-KBXCAEBGSA-N 1 2 348.447 0.508 20 30 ECEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000566068822 439002547 /nfs/dbraw/zinc/00/25/47/439002547.db2.gz FHFDKYUMPBHCBM-CQSZACIVSA-N 1 2 348.432 0.503 20 30 ECEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000566068822 439002550 /nfs/dbraw/zinc/00/25/50/439002550.db2.gz FHFDKYUMPBHCBM-CQSZACIVSA-N 1 2 348.432 0.503 20 30 ECEDLO Cc1cc(NC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)nn1CCC#N ZINC000596817040 439003563 /nfs/dbraw/zinc/00/35/63/439003563.db2.gz SXFUQJMFZUHQFV-UONOGXRCSA-N 1 2 334.424 1.336 20 30 ECEDLO Cc1cc(NC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)nn1CCC#N ZINC000596817040 439003568 /nfs/dbraw/zinc/00/35/68/439003568.db2.gz SXFUQJMFZUHQFV-UONOGXRCSA-N 1 2 334.424 1.336 20 30 ECEDLO Cn1cc(C[NH+]2CCN(C(=O)CC3(C#N)CCOCC3)CC2)cn1 ZINC000597181220 439052686 /nfs/dbraw/zinc/05/26/86/439052686.db2.gz XBLBVZCZSRAWQR-UHFFFAOYSA-N 1 2 331.420 0.775 20 30 ECEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NCCn2cnc(C#N)n2)cc1 ZINC000602153427 439026713 /nfs/dbraw/zinc/02/67/13/439026713.db2.gz QNUYUQFSJPUBAY-OAHLLOKOSA-N 1 2 340.387 0.549 20 30 ECEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NCCn2cnc(C#N)n2)cc1 ZINC000602153427 439026719 /nfs/dbraw/zinc/02/67/19/439026719.db2.gz QNUYUQFSJPUBAY-OAHLLOKOSA-N 1 2 340.387 0.549 20 30 ECEDLO CC1(C)NC(=O)N(CC[NH+]2CCN(c3cnccc3C#N)CC2)C1=O ZINC000566833043 439092790 /nfs/dbraw/zinc/09/27/90/439092790.db2.gz LOYGKLPEIMXWMJ-UHFFFAOYSA-N 1 2 342.403 0.406 20 30 ECEDLO Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)n1C ZINC000602944818 439166795 /nfs/dbraw/zinc/16/67/95/439166795.db2.gz UXMBWOHDKRDWLM-LBPRGKRZSA-N 1 2 331.424 0.197 20 30 ECEDLO COC(=O)c1ccsc1N1CC[C@H]([N@@H+]2CC[C@](O)(CC#N)C2)C1=O ZINC000592150769 439167531 /nfs/dbraw/zinc/16/75/31/439167531.db2.gz ITTSPYLXKPGKQT-BLLLJJGKSA-N 1 2 349.412 0.990 20 30 ECEDLO COC(=O)c1ccsc1N1CC[C@H]([N@H+]2CC[C@](O)(CC#N)C2)C1=O ZINC000592150769 439167535 /nfs/dbraw/zinc/16/75/35/439167535.db2.gz ITTSPYLXKPGKQT-BLLLJJGKSA-N 1 2 349.412 0.990 20 30 ECEDLO COCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592149386 439168041 /nfs/dbraw/zinc/16/80/41/439168041.db2.gz ODNQUEIQLMPVLD-GOSISDBHSA-N 1 2 347.415 0.678 20 30 ECEDLO COCCOc1ccc(CNC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592149386 439168045 /nfs/dbraw/zinc/16/80/45/439168045.db2.gz ODNQUEIQLMPVLD-GOSISDBHSA-N 1 2 347.415 0.678 20 30 ECEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000592147716 439168175 /nfs/dbraw/zinc/16/81/75/439168175.db2.gz RNRXZNHSPAHPNU-VQIMIIECSA-N 1 2 342.443 0.980 20 30 ECEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000592147716 439168179 /nfs/dbraw/zinc/16/81/79/439168179.db2.gz RNRXZNHSPAHPNU-VQIMIIECSA-N 1 2 342.443 0.980 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602760659 439132219 /nfs/dbraw/zinc/13/22/19/439132219.db2.gz ZHPYYSDZOZNUSU-UHFFFAOYSA-N 1 2 336.396 0.020 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602760659 439132223 /nfs/dbraw/zinc/13/22/23/439132223.db2.gz ZHPYYSDZOZNUSU-UHFFFAOYSA-N 1 2 336.396 0.020 20 30 ECEDLO C=CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000602792637 439137185 /nfs/dbraw/zinc/13/71/85/439137185.db2.gz PZSVSDIJLLQJPX-LBPRGKRZSA-N 1 2 328.394 0.775 20 30 ECEDLO C=CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000602792637 439137190 /nfs/dbraw/zinc/13/71/90/439137190.db2.gz PZSVSDIJLLQJPX-LBPRGKRZSA-N 1 2 328.394 0.775 20 30 ECEDLO CCN(CC(=O)NC(C)C)C(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856968 439144473 /nfs/dbraw/zinc/14/44/73/439144473.db2.gz NIKWFEZBJQGGED-GJZGRUSLSA-N 1 2 337.468 0.278 20 30 ECEDLO CN(C(=O)C[NH+]1CCN(c2nc[nH]n2)CC1)C1(C#N)CCCCC1 ZINC000602869667 439148341 /nfs/dbraw/zinc/14/83/41/439148341.db2.gz HDYAMWPLZXCVEV-UHFFFAOYSA-N 1 2 331.424 0.612 20 30 ECEDLO C[N@H+](CCC#N)C[C@@H](O)CN[C@H](CO)c1nc(-c2ccccc2)no1 ZINC000592432420 439226074 /nfs/dbraw/zinc/22/60/74/439226074.db2.gz WVISIFLKUUXSRZ-LSDHHAIUSA-N 1 2 345.403 0.566 20 30 ECEDLO C[N@@H+](CCC#N)C[C@@H](O)CN[C@H](CO)c1nc(-c2ccccc2)no1 ZINC000592432420 439226080 /nfs/dbraw/zinc/22/60/80/439226080.db2.gz WVISIFLKUUXSRZ-LSDHHAIUSA-N 1 2 345.403 0.566 20 30 ECEDLO CN(CCC#N)C[C@@H](O)C[NH2+][C@H](CO)c1nc(-c2ccccc2)no1 ZINC000592432420 439226086 /nfs/dbraw/zinc/22/60/86/439226086.db2.gz WVISIFLKUUXSRZ-LSDHHAIUSA-N 1 2 345.403 0.566 20 30 ECEDLO COC(=O)[C@H]1C[C@H](O)C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000592205857 439182544 /nfs/dbraw/zinc/18/25/44/439182544.db2.gz XZBLUKMXDGYGEG-HOCLYGCPSA-N 1 2 345.399 0.789 20 30 ECEDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000592205857 439182550 /nfs/dbraw/zinc/18/25/50/439182550.db2.gz XZBLUKMXDGYGEG-HOCLYGCPSA-N 1 2 345.399 0.789 20 30 ECEDLO COCC[N@H+](C)Cc1cn(CC(=O)Nc2cccc(C#N)c2)nn1 ZINC000603161089 439200651 /nfs/dbraw/zinc/20/06/51/439200651.db2.gz IFQRJEDANFQKNC-UHFFFAOYSA-N 1 2 328.376 0.867 20 30 ECEDLO COCC[N@@H+](C)Cc1cn(CC(=O)Nc2cccc(C#N)c2)nn1 ZINC000603161089 439200655 /nfs/dbraw/zinc/20/06/55/439200655.db2.gz IFQRJEDANFQKNC-UHFFFAOYSA-N 1 2 328.376 0.867 20 30 ECEDLO C=CCNC(=O)[C@@H](C)n1cc(C[NH+]2CCC(C(=O)OCC)CC2)nn1 ZINC000603185507 439206016 /nfs/dbraw/zinc/20/60/16/439206016.db2.gz KDZKCZGGMWXVKW-CYBMUJFWSA-N 1 2 349.435 0.916 20 30 ECEDLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)NCc1ccc(CC#N)cc1)CC2 ZINC000592342098 439210600 /nfs/dbraw/zinc/21/06/00/439210600.db2.gz LSNJMJRCEJGPRY-UHFFFAOYSA-N 1 2 337.383 0.916 20 30 ECEDLO C#CCN(C(=O)NCCCCn1cc[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC000490914994 439312328 /nfs/dbraw/zinc/31/23/28/439312328.db2.gz KOGLLFNQQULWPM-CQSZACIVSA-N 1 2 338.433 0.495 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCNC(=O)c3ccccc32)CC1 ZINC000490925698 439313551 /nfs/dbraw/zinc/31/35/51/439313551.db2.gz XOXCADVTBXTNLI-UHFFFAOYSA-N 1 2 326.400 0.014 20 30 ECEDLO Cc1oc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1S(=O)(=O)N(C)C ZINC000569367395 439328287 /nfs/dbraw/zinc/32/82/87/439328287.db2.gz BDAULMNOYXJYDR-AWEZNQCLSA-N 1 2 342.421 0.412 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](CN2C(=O)N[C@](CC)(C(C)C)C2=O)CC1 ZINC000491069391 439329167 /nfs/dbraw/zinc/32/91/67/439329167.db2.gz VSIKCSVTGBXTHK-GOSISDBHSA-N 1 2 348.447 0.762 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c([N+](=O)[O-])c1 ZINC000593028376 439330121 /nfs/dbraw/zinc/33/01/21/439330121.db2.gz CQMRPNIUYMRDSV-HNNXBMFYSA-N 1 2 329.316 0.640 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c([N+](=O)[O-])c1 ZINC000593028376 439330126 /nfs/dbraw/zinc/33/01/26/439330126.db2.gz CQMRPNIUYMRDSV-HNNXBMFYSA-N 1 2 329.316 0.640 20 30 ECEDLO C#CCn1ccc(CN(CCOC)C(=O)C(C)(C)[NH+]2CCOCC2)n1 ZINC000491104978 439333264 /nfs/dbraw/zinc/33/32/64/439333264.db2.gz UTDGJKHNUAXEDB-UHFFFAOYSA-N 1 2 348.447 0.602 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(CCC(=O)OC)cc2)CC1 ZINC000490780327 439297491 /nfs/dbraw/zinc/29/74/91/439297491.db2.gz KBPGQTSDBOAKKU-UHFFFAOYSA-N 1 2 343.427 0.982 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(N(C)C(N)=O)cc2)CC1 ZINC000490800506 439300162 /nfs/dbraw/zinc/30/01/62/439300162.db2.gz SDOUMDSEZZUZRC-UHFFFAOYSA-N 1 2 330.388 0.358 20 30 ECEDLO CCOC(=O)COCCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000569065579 439302565 /nfs/dbraw/zinc/30/25/65/439302565.db2.gz VUHXORFCFFHXKX-UHFFFAOYSA-N 1 2 349.387 0.132 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(CCC(N)=O)c2cccc(C)c2)CC1 ZINC000490866545 439303993 /nfs/dbraw/zinc/30/39/93/439303993.db2.gz QKZUWISAZKICJQ-UHFFFAOYSA-N 1 2 342.443 0.454 20 30 ECEDLO C[C@H]1C(=O)NCCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528474238 439340180 /nfs/dbraw/zinc/34/01/80/439340180.db2.gz OTOUSYBIGMBLSG-ZDUSSCGKSA-N 1 2 325.368 0.496 20 30 ECEDLO C[C@H]1C(=O)NCCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528474238 439340183 /nfs/dbraw/zinc/34/01/83/439340183.db2.gz OTOUSYBIGMBLSG-ZDUSSCGKSA-N 1 2 325.368 0.496 20 30 ECEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000528486754 439342223 /nfs/dbraw/zinc/34/22/23/439342223.db2.gz HVJJEXPCINRYKB-OKILXGFUSA-N 1 2 326.352 0.386 20 30 ECEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000528486754 439342229 /nfs/dbraw/zinc/34/22/29/439342229.db2.gz HVJJEXPCINRYKB-OKILXGFUSA-N 1 2 326.352 0.386 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000491164843 439342624 /nfs/dbraw/zinc/34/26/24/439342624.db2.gz GEDGSJVBPBVLMO-INIZCTEOSA-N 1 2 336.480 0.387 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000491164790 439343467 /nfs/dbraw/zinc/34/34/67/439343467.db2.gz FTJTYGFUNQKJNX-BBWFWOEESA-N 1 2 348.491 0.437 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000593155531 439349173 /nfs/dbraw/zinc/34/91/73/439349173.db2.gz ZDGPLAKONLJFSA-SUMWQHHRSA-N 1 2 329.404 0.390 20 30 ECEDLO CN(C)S(=O)(=O)c1cccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000593155794 439349360 /nfs/dbraw/zinc/34/93/60/439349360.db2.gz BWPXOORCAJDKSG-OAHLLOKOSA-N 1 2 338.433 0.511 20 30 ECEDLO CC(=O)NCC(=O)N1CCC[N@H+](Cc2cccc(F)c2C#N)CC1 ZINC000528739360 439366707 /nfs/dbraw/zinc/36/67/07/439366707.db2.gz UFRYTVHGQKUYMU-UHFFFAOYSA-N 1 2 332.379 0.868 20 30 ECEDLO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2cccc(F)c2C#N)CC1 ZINC000528739360 439366713 /nfs/dbraw/zinc/36/67/13/439366713.db2.gz UFRYTVHGQKUYMU-UHFFFAOYSA-N 1 2 332.379 0.868 20 30 ECEDLO CC[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1[nH]cc[nH+]1 ZINC000582877642 439391578 /nfs/dbraw/zinc/39/15/78/439391578.db2.gz WOTDDESQLDPYPK-ZDUSSCGKSA-N 1 2 347.400 0.827 20 30 ECEDLO COCCOCC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000593519265 439391855 /nfs/dbraw/zinc/39/18/55/439391855.db2.gz YKFOJOUXCZSQOL-UHFFFAOYSA-N 1 2 335.364 0.646 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2cc(C(=O)OC)ccc2C)CC1 ZINC000491450448 439385125 /nfs/dbraw/zinc/38/51/25/439385125.db2.gz ALNYCVDXQKEFQE-UHFFFAOYSA-N 1 2 330.384 0.938 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2cccc(C(=O)N(C)CC)c2)CC1 ZINC000491462492 439386573 /nfs/dbraw/zinc/38/65/73/439386573.db2.gz IRJUYDWENDGYPK-UHFFFAOYSA-N 1 2 343.427 0.935 20 30 ECEDLO C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCc3c[nH+]cn3C2)n1 ZINC000491660350 439422435 /nfs/dbraw/zinc/42/24/35/439422435.db2.gz OJOWHNOZLCLQSO-HNNXBMFYSA-N 1 2 341.415 0.950 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2ccnc2[C@H](O)c2cccs2)CC1 ZINC000491671124 439425075 /nfs/dbraw/zinc/42/50/75/439425075.db2.gz WIGJCMMCLCPTRR-MRXNPFEDSA-N 1 2 344.440 0.804 20 30 ECEDLO C#C[C@H](CC)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000491712910 439431819 /nfs/dbraw/zinc/43/18/19/439431819.db2.gz YEPHFQAXYGGASL-OAHLLOKOSA-N 1 2 343.431 0.831 20 30 ECEDLO COCC[N@@H+]1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C(C)(C)C1 ZINC000593659041 439439082 /nfs/dbraw/zinc/43/90/82/439439082.db2.gz YPCNMTAFQCQASJ-ZDUSSCGKSA-N 1 2 332.470 0.508 20 30 ECEDLO COCC[N@H+]1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C(C)(C)C1 ZINC000593659041 439439089 /nfs/dbraw/zinc/43/90/89/439439089.db2.gz YPCNMTAFQCQASJ-ZDUSSCGKSA-N 1 2 332.470 0.508 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000570686559 439442017 /nfs/dbraw/zinc/44/20/17/439442017.db2.gz FMGISTWLWTWEHH-CRAIPNDOSA-N 1 2 343.431 0.894 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2c(=O)sc3ccccc3c2=O)CC1 ZINC000491764207 439444176 /nfs/dbraw/zinc/44/41/76/439444176.db2.gz BYMXJGFGBZUCPL-UHFFFAOYSA-N 1 2 343.408 0.201 20 30 ECEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000599380226 439450849 /nfs/dbraw/zinc/45/08/49/439450849.db2.gz RCYJXYREBPOBOZ-FMKPAKJESA-N 1 2 334.372 0.296 20 30 ECEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000599380226 439450855 /nfs/dbraw/zinc/45/08/55/439450855.db2.gz RCYJXYREBPOBOZ-FMKPAKJESA-N 1 2 334.372 0.296 20 30 ECEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000491832490 439460555 /nfs/dbraw/zinc/46/05/55/439460555.db2.gz QVBBIOHJOQUMCV-LBPRGKRZSA-N 1 2 339.417 0.254 20 30 ECEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](CC(N)=O)C2)cc1 ZINC000599666047 439531105 /nfs/dbraw/zinc/53/11/05/439531105.db2.gz WEBHOEOMLCIDFA-ZBFHGGJFSA-N 1 2 333.388 0.069 20 30 ECEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H](CC(N)=O)C2)cc1 ZINC000599666047 439531112 /nfs/dbraw/zinc/53/11/12/439531112.db2.gz WEBHOEOMLCIDFA-ZBFHGGJFSA-N 1 2 333.388 0.069 20 30 ECEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000571801982 439532434 /nfs/dbraw/zinc/53/24/34/439532434.db2.gz BXELEAPECNVFIG-ZDUSSCGKSA-N 1 2 334.405 0.115 20 30 ECEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000571801982 439532438 /nfs/dbraw/zinc/53/24/38/439532438.db2.gz BXELEAPECNVFIG-ZDUSSCGKSA-N 1 2 334.405 0.115 20 30 ECEDLO C[C@H](CNC(=O)C(=O)Nc1cccc(C#N)n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594311680 439539168 /nfs/dbraw/zinc/53/91/68/439539168.db2.gz JSVUXJQVYYDVLI-UPJWGTAASA-N 1 2 345.403 0.506 20 30 ECEDLO C[C@H](CNC(=O)C(=O)Nc1cccc(C#N)n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594311680 439539172 /nfs/dbraw/zinc/53/91/72/439539172.db2.gz JSVUXJQVYYDVLI-UPJWGTAASA-N 1 2 345.403 0.506 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000492261553 439514872 /nfs/dbraw/zinc/51/48/72/439514872.db2.gz WPOGPTFHYOTRGY-AWEZNQCLSA-N 1 2 340.468 0.819 20 30 ECEDLO N#CC1(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CCOCC1 ZINC000609579000 439578087 /nfs/dbraw/zinc/57/80/87/439578087.db2.gz UDSRZKTWQGWTCO-UHFFFAOYSA-N 1 2 348.447 0.367 20 30 ECEDLO C[N@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@@](C)(c2nccs2)C1=O ZINC000594716289 439595395 /nfs/dbraw/zinc/59/53/95/439595395.db2.gz OHJLTMCLRVYIEG-HZMBPMFUSA-N 1 2 337.405 0.116 20 30 ECEDLO C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@@](C)(c2nccs2)C1=O ZINC000594716289 439595398 /nfs/dbraw/zinc/59/53/98/439595398.db2.gz OHJLTMCLRVYIEG-HZMBPMFUSA-N 1 2 337.405 0.116 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2ncnc3c2ncn3C2CC2)CC1 ZINC000584757122 439614304 /nfs/dbraw/zinc/61/43/04/439614304.db2.gz UOYHOVMGXHROAQ-UHFFFAOYSA-N 1 2 341.419 0.585 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)c1 ZINC000610491295 439621428 /nfs/dbraw/zinc/62/14/28/439621428.db2.gz GHFJXJWVODFOLO-UHFFFAOYSA-N 1 2 329.404 0.560 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cc1ccc(C#N)nc1 ZINC000600231799 439626705 /nfs/dbraw/zinc/62/67/05/439626705.db2.gz GLPNWBADFHBXGL-GOSISDBHSA-N 1 2 344.415 0.228 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cc1ccc(C#N)nc1 ZINC000600231799 439626709 /nfs/dbraw/zinc/62/67/09/439626709.db2.gz GLPNWBADFHBXGL-GOSISDBHSA-N 1 2 344.415 0.228 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000611670717 439716737 /nfs/dbraw/zinc/71/67/37/439716737.db2.gz KDHMELOTCNIBKO-AWEZNQCLSA-N 1 2 336.417 0.532 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000611670717 439716742 /nfs/dbraw/zinc/71/67/42/439716742.db2.gz KDHMELOTCNIBKO-AWEZNQCLSA-N 1 2 336.417 0.532 20 30 ECEDLO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)CC2(C#N)CCC2)C1 ZINC000573884892 439673059 /nfs/dbraw/zinc/67/30/59/439673059.db2.gz QGHFPYIZWPJICO-CQSZACIVSA-N 1 2 329.466 0.956 20 30 ECEDLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)CC2(C#N)CCC2)C1 ZINC000573884892 439673060 /nfs/dbraw/zinc/67/30/60/439673060.db2.gz QGHFPYIZWPJICO-CQSZACIVSA-N 1 2 329.466 0.956 20 30 ECEDLO COC(=O)CCCCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000600564495 439676935 /nfs/dbraw/zinc/67/69/35/439676935.db2.gz XUFNCCCPNXXWCZ-UHFFFAOYSA-N 1 2 333.388 0.895 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000600682414 439688861 /nfs/dbraw/zinc/68/88/61/439688861.db2.gz MTOVDNBHHYVMMF-MRXNPFEDSA-N 1 2 339.399 0.923 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000600682414 439688865 /nfs/dbraw/zinc/68/88/65/439688865.db2.gz MTOVDNBHHYVMMF-MRXNPFEDSA-N 1 2 339.399 0.923 20 30 ECEDLO CC[N@H+](CCc1ccc(C#N)cc1)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000595293023 439692853 /nfs/dbraw/zinc/69/28/53/439692853.db2.gz WHYPBEHEBLFCDU-INIZCTEOSA-N 1 2 349.456 0.726 20 30 ECEDLO CC[N@@H+](CCc1ccc(C#N)cc1)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000595293023 439692855 /nfs/dbraw/zinc/69/28/55/439692855.db2.gz WHYPBEHEBLFCDU-INIZCTEOSA-N 1 2 349.456 0.726 20 30 ECEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3coc(S(N)(=O)=O)c3)C2)nc1 ZINC000595502924 439735047 /nfs/dbraw/zinc/73/50/47/439735047.db2.gz XMGXMFSURJRBIC-CYBMUJFWSA-N 1 2 348.384 0.847 20 30 ECEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3coc(S(N)(=O)=O)c3)C2)nc1 ZINC000595502924 439735049 /nfs/dbraw/zinc/73/50/49/439735049.db2.gz XMGXMFSURJRBIC-CYBMUJFWSA-N 1 2 348.384 0.847 20 30 ECEDLO N#CC1(CS(=O)(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCCC1 ZINC000612680988 439736277 /nfs/dbraw/zinc/73/62/77/439736277.db2.gz LROCMZWODAINDJ-CQSZACIVSA-N 1 2 327.450 0.807 20 30 ECEDLO C=CCOCCCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000658432240 439938088 /nfs/dbraw/zinc/93/80/88/439938088.db2.gz HQJZITHJNSGPOW-HNNXBMFYSA-N 1 2 339.436 0.019 20 30 ECEDLO C=CCC[C@@H](CO)NC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000637526066 440290002 /nfs/dbraw/zinc/29/00/02/440290002.db2.gz FCLGLRRYDOOWRF-DLBZAZTESA-N 1 2 348.447 0.909 20 30 ECEDLO C=CCC[C@@H](CO)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000637526066 440290006 /nfs/dbraw/zinc/29/00/06/440290006.db2.gz FCLGLRRYDOOWRF-DLBZAZTESA-N 1 2 348.447 0.909 20 30 ECEDLO C=CCn1cc(CNC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)nn1 ZINC000645036977 440733168 /nfs/dbraw/zinc/73/31/68/440733168.db2.gz LWYFVBIPSHOFCC-UHFFFAOYSA-N 1 2 344.423 0.225 20 30 ECEDLO CC#CC[C@@H](CO)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000645114457 440751829 /nfs/dbraw/zinc/75/18/29/440751829.db2.gz FZRHXRSBEOPXJZ-ZWKOTPCHSA-N 1 2 345.443 0.961 20 30 ECEDLO CC#CC[C@@H](CO)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000645114457 440751831 /nfs/dbraw/zinc/75/18/31/440751831.db2.gz FZRHXRSBEOPXJZ-ZWKOTPCHSA-N 1 2 345.443 0.961 20 30 ECEDLO C=CCCn1cc(C[NH2+][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)nn1 ZINC000657381072 441001696 /nfs/dbraw/zinc/00/16/96/441001696.db2.gz CAWNOUPMNIJTED-SWLSCSKDSA-N 1 2 329.408 0.871 20 30 ECEDLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000563446388 322319920 /nfs/dbraw/zinc/31/99/20/322319920.db2.gz SCJMNFKHOXDGIG-OAHLLOKOSA-N 1 2 345.428 0.768 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](CC(=O)NC3CCOCC3)CC2)nc1 ZINC000076292780 545691367 /nfs/dbraw/zinc/69/13/67/545691367.db2.gz KSCJHDWXZMUYLD-UHFFFAOYSA-N 1 2 329.404 0.370 20 30 ECEDLO CC(C)C(=O)N1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000328878091 546008448 /nfs/dbraw/zinc/00/84/48/546008448.db2.gz IWWRBPBGZZTQAI-ZIAGYGMSSA-N 1 2 327.425 0.283 20 30 ECEDLO CN1C[C@H](C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC1=O ZINC000328945145 546010188 /nfs/dbraw/zinc/01/01/88/546010188.db2.gz UYUODAGTFGWTJH-CQSZACIVSA-N 1 2 336.436 0.366 20 30 ECEDLO Cc1cc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)nn1CCC#N ZINC000329395937 546022520 /nfs/dbraw/zinc/02/25/20/546022520.db2.gz XFKSWPMIKHOXCA-AWEZNQCLSA-N 1 2 332.408 1.044 20 30 ECEDLO CN1C(=O)CC[C@H]1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000329994903 546037117 /nfs/dbraw/zinc/03/71/17/546037117.db2.gz MQHPMNPMJKAZDX-ZDUSSCGKSA-N 1 2 332.408 0.176 20 30 ECEDLO CS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000619723575 546364325 /nfs/dbraw/zinc/36/43/25/546364325.db2.gz OLAKOORYAFQMHJ-GDBMZVCRSA-N 1 2 338.429 0.611 20 30 ECEDLO CS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000619723575 546364328 /nfs/dbraw/zinc/36/43/28/546364328.db2.gz OLAKOORYAFQMHJ-GDBMZVCRSA-N 1 2 338.429 0.611 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000619943001 546389465 /nfs/dbraw/zinc/38/94/65/546389465.db2.gz WIIGATGLKSDJDU-RTBURBONSA-N 1 2 348.443 0.693 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000619943001 546389467 /nfs/dbraw/zinc/38/94/67/546389467.db2.gz WIIGATGLKSDJDU-RTBURBONSA-N 1 2 348.443 0.693 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(C)CC(=O)Nc2cc(C)ccn2)CC1 ZINC000748812618 579328991 /nfs/dbraw/zinc/32/89/91/579328991.db2.gz KVMFWNADAMOJOE-UHFFFAOYSA-N 1 2 343.431 0.038 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@@H](O)C3CC3)CC2)cc1 ZINC000751417904 579367474 /nfs/dbraw/zinc/36/74/74/579367474.db2.gz KQSMJHKNHJGGJT-MRXNPFEDSA-N 1 2 335.429 0.635 20 30 ECEDLO CNC(=O)CNC(=S)N[NH+]=C(C)c1ccc(F)cc1N(C)C ZINC000759195125 579487366 /nfs/dbraw/zinc/48/73/66/579487366.db2.gz MAPDZJLIXURADC-UHFFFAOYSA-N 1 2 325.413 0.826 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000759878193 579499831 /nfs/dbraw/zinc/49/98/31/579499831.db2.gz IIIKTQXYUAXVAK-UHFFFAOYSA-N 1 2 347.415 0.584 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cccc(OCC#N)c2)CCO1 ZINC000726294165 578141179 /nfs/dbraw/zinc/14/11/79/578141179.db2.gz NRDWSUNFLNWCLL-CYBMUJFWSA-N 1 2 346.387 0.364 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cccc(OCC#N)c2)CCO1 ZINC000726294165 578141180 /nfs/dbraw/zinc/14/11/80/578141180.db2.gz NRDWSUNFLNWCLL-CYBMUJFWSA-N 1 2 346.387 0.364 20 30 ECEDLO CCOCCC/N=C1/NC(=O)[C@H](CC(=O)NCC[NH+](C)C)S1 ZINC000730270166 578304192 /nfs/dbraw/zinc/30/41/92/578304192.db2.gz AHFIOHWQPIYOBL-NSHDSACASA-N 1 2 330.454 0.069 20 30 ECEDLO C#CCOc1cccc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000731124684 578310553 /nfs/dbraw/zinc/31/05/53/578310553.db2.gz KRCCHOUZZYZKLB-AWEZNQCLSA-N 1 2 345.399 0.474 20 30 ECEDLO CC(C)C(CS(=O)(=O)N(C)C)N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000794921871 578601386 /nfs/dbraw/zinc/60/13/86/578601386.db2.gz FCXSUQMFSVICTO-VXGBXAGGSA-N 1 2 329.470 0.750 20 30 ECEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000799160471 578660070 /nfs/dbraw/zinc/66/00/70/578660070.db2.gz SWVCNCNNUPVIDN-HUUCEWRRSA-N 1 2 330.363 0.813 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000783001019 578737117 /nfs/dbraw/zinc/73/71/17/578737117.db2.gz YSVXBIBZQMLVQY-ZIAGYGMSSA-N 1 2 347.481 0.386 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cccc(F)c2C#N)[C@H](C)C1 ZINC000784708446 578755681 /nfs/dbraw/zinc/75/56/81/578755681.db2.gz FESJABYQGHTDIB-VXGBXAGGSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2cccc(F)c2C#N)[C@H](C)C1 ZINC000784708446 578755682 /nfs/dbraw/zinc/75/56/82/578755682.db2.gz FESJABYQGHTDIB-VXGBXAGGSA-N 1 2 341.408 0.773 20 30 ECEDLO N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000786438327 578787086 /nfs/dbraw/zinc/78/70/86/578787086.db2.gz CXARSYJDNIBXGS-HNNXBMFYSA-N 1 2 328.307 0.670 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)NCCCNc1cccc[nH+]1)[C@@H]1CCCO1 ZINC000788638940 578841470 /nfs/dbraw/zinc/84/14/70/578841470.db2.gz KIVLQUYHIFIKKJ-KBPBESRZSA-N 1 2 330.388 0.297 20 30 ECEDLO CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000789933567 578863429 /nfs/dbraw/zinc/86/34/29/578863429.db2.gz BPNNFKMJXAQCEI-JTQLQIEISA-N 1 2 334.342 0.794 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCOC[C@@H]2c2c(C)n[nH]c2C)CC1 ZINC000766281046 579084664 /nfs/dbraw/zinc/08/46/64/579084664.db2.gz YCSQNFOVRQFYHQ-MRXNPFEDSA-N 1 2 345.447 0.177 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@]2(CCC)C(=O)OCC)CC1 ZINC000770005161 579157531 /nfs/dbraw/zinc/15/75/31/579157531.db2.gz YIXGBDUCNCGNSW-LJQANCHMSA-N 1 2 349.475 0.962 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@]2(CCC)C(=O)OCC)CC1 ZINC000770005161 579157532 /nfs/dbraw/zinc/15/75/32/579157532.db2.gz YIXGBDUCNCGNSW-LJQANCHMSA-N 1 2 349.475 0.962 20 30 ECEDLO C#C[C@@H](NC(=O)NCc1ccc[nH+]c1N1CCOCC1)[C@@H]1CCCO1 ZINC000773168033 579221766 /nfs/dbraw/zinc/22/17/66/579221766.db2.gz YKGXKCDSAOPFPV-CVEARBPZSA-N 1 2 344.415 0.898 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)cn1 ZINC000778330536 579308274 /nfs/dbraw/zinc/30/82/74/579308274.db2.gz MCUKUDOPLLSUPX-QGZVFWFLSA-N 1 2 329.400 0.626 20 30 ECEDLO C#CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000778811276 579311280 /nfs/dbraw/zinc/31/12/80/579311280.db2.gz PKQAEYOQHHLGPY-CQSZACIVSA-N 1 2 338.367 0.965 20 30 ECEDLO N#Cc1cnn2cc(C[NH2+]CCC[NH+]3CCN(C(=O)[O-])CC3)cnc12 ZINC000740324982 579737985 /nfs/dbraw/zinc/73/79/85/579737985.db2.gz RQESVHZFOYRKON-UHFFFAOYSA-N 1 2 343.391 0.376 20 30 ECEDLO C[S@](=O)CC[NH+]1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000741292564 579771203 /nfs/dbraw/zinc/77/12/03/579771203.db2.gz LHKHSTPQAAEPHL-DEOSSOPVSA-N 1 2 349.456 0.654 20 30 ECEDLO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)CC(=O)NCCC#N)cc1 ZINC000743868091 579802869 /nfs/dbraw/zinc/80/28/69/579802869.db2.gz ZRMUMNIDKRQBHH-UHFFFAOYSA-N 1 2 338.433 0.235 20 30 ECEDLO Cc1ccc(S(=O)(=O)NCC[N@H+](C)CC(=O)NCCC#N)cc1 ZINC000743868091 579802870 /nfs/dbraw/zinc/80/28/70/579802870.db2.gz ZRMUMNIDKRQBHH-UHFFFAOYSA-N 1 2 338.433 0.235 20 30 ECEDLO Cn1ncc(Br)c1CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000890887742 586068710 /nfs/dbraw/zinc/06/87/10/586068710.db2.gz TVCSAPQJZHZJRE-LBPRGKRZSA-N 1 2 328.214 0.685 20 30 ECEDLO C#CC1(F)CN(C(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)C1 ZINC000891168808 586085442 /nfs/dbraw/zinc/08/54/42/586085442.db2.gz JGIKHJCVLAAANU-UHFFFAOYSA-N 1 2 346.362 0.349 20 30 ECEDLO COc1ccc(Cn2cc(C[NH2+][C@@H]3CCCN(O)C3=O)nn2)cc1 ZINC000895156689 586166888 /nfs/dbraw/zinc/16/68/88/586166888.db2.gz FMGAICJRKGVZDQ-OAHLLOKOSA-N 1 2 331.376 0.805 20 30 ECEDLO N#Cc1ccc([C@@H]2CN(C(=O)NCC[NH+]3CCOCC3)CCO2)cc1 ZINC000891449190 586169135 /nfs/dbraw/zinc/16/91/35/586169135.db2.gz NVGOWKRGHIJPMB-KRWDZBQOSA-N 1 2 344.415 0.973 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(OC)c2OC)C1 ZINC000891600521 586180438 /nfs/dbraw/zinc/18/04/38/586180438.db2.gz CAABARXAWPCUFL-CYBMUJFWSA-N 1 2 345.399 0.856 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(OC)c2OC)C1 ZINC000891600521 586180440 /nfs/dbraw/zinc/18/04/40/586180440.db2.gz CAABARXAWPCUFL-CYBMUJFWSA-N 1 2 345.399 0.856 20 30 ECEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCN3[C@H](CNS3(=O)=O)C2)cc1 ZINC000897283440 586294099 /nfs/dbraw/zinc/29/40/99/586294099.db2.gz LXWXOMLBUYRSOW-TZMCWYRMSA-N 1 2 336.417 0.312 20 30 ECEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCN3[C@H](CNS3(=O)=O)C2)cc1 ZINC000897283440 586294102 /nfs/dbraw/zinc/29/41/02/586294102.db2.gz LXWXOMLBUYRSOW-TZMCWYRMSA-N 1 2 336.417 0.312 20 30 ECEDLO COCC[C@@H]1CCN(C[NH+]2CCN(c3cccc(C#N)n3)CC2)C1=O ZINC000902222136 586725273 /nfs/dbraw/zinc/72/52/73/586725273.db2.gz JGNFBCNMLDTUOL-HNNXBMFYSA-N 1 2 343.431 0.918 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000907584586 586740627 /nfs/dbraw/zinc/74/06/27/586740627.db2.gz WXUANJGZVLNIJM-XJKSGUPXSA-N 1 2 340.383 0.681 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1cc(F)cc(C#N)c1)[C@H]1C[N@H+](C)CCO1 ZINC000866989118 586819300 /nfs/dbraw/zinc/81/93/00/586819300.db2.gz VMMGWUJOJVVUDW-QMTHXVAHSA-N 1 2 327.381 0.695 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1cc(F)cc(C#N)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000866989118 586819301 /nfs/dbraw/zinc/81/93/01/586819301.db2.gz VMMGWUJOJVVUDW-QMTHXVAHSA-N 1 2 327.381 0.695 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCN2C(=O)N[C@@H](C)C2=O)c1 ZINC000838793648 586821558 /nfs/dbraw/zinc/82/15/58/586821558.db2.gz CEXFFLKLKABUTC-LBPRGKRZSA-N 1 2 328.372 0.479 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCN2C(=O)N[C@@H](C)C2=O)c1 ZINC000838793648 586821559 /nfs/dbraw/zinc/82/15/59/586821559.db2.gz CEXFFLKLKABUTC-LBPRGKRZSA-N 1 2 328.372 0.479 20 30 ECEDLO Cn1c(=O)c2ccc(C(=O)N[C@H]3C[NH2+]C[C@H]3C#N)cc2[nH]c1=S ZINC000843459642 589068160 /nfs/dbraw/zinc/06/81/60/589068160.db2.gz FVHGCFLEDVTJII-SKDRFNHKSA-N 1 2 329.385 0.064 20 30 ECEDLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000805473212 586910590 /nfs/dbraw/zinc/91/05/90/586910590.db2.gz STGIGWCUOZOZDK-WWGRRREGSA-N 1 2 325.409 0.693 20 30 ECEDLO CC[N@H+]1CCO[C@H](C(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000805473212 586910591 /nfs/dbraw/zinc/91/05/91/586910591.db2.gz STGIGWCUOZOZDK-WWGRRREGSA-N 1 2 325.409 0.693 20 30 ECEDLO C=CC[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)C(=O)OC ZINC000905759909 586913882 /nfs/dbraw/zinc/91/38/82/586913882.db2.gz PZGDDJSYHVMWJG-NSHDSACASA-N 1 2 340.392 0.958 20 30 ECEDLO C=CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1)c1ccncc1 ZINC000787757058 586943232 /nfs/dbraw/zinc/94/32/32/586943232.db2.gz LSTOHQQPGKMKHM-ZBFHGGJFSA-N 1 2 346.431 0.652 20 30 ECEDLO C[C@H]1C[NH+](CCCNS(=O)(=O)c2ccc(C#N)cn2)C[C@H](C)O1 ZINC000906820881 586988629 /nfs/dbraw/zinc/98/86/29/586988629.db2.gz QYTPMAPSJXBXOW-STQMWFEESA-N 1 2 338.433 0.731 20 30 ECEDLO C=CCN1CCN(C[N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)C1=O ZINC000839996775 587057361 /nfs/dbraw/zinc/05/73/61/587057361.db2.gz SQEXOQXVGBWGDB-NSHDSACASA-N 1 2 334.342 0.963 20 30 ECEDLO C=CCN1CCN(C[N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)C1=O ZINC000839996775 587057362 /nfs/dbraw/zinc/05/73/62/587057362.db2.gz SQEXOQXVGBWGDB-NSHDSACASA-N 1 2 334.342 0.963 20 30 ECEDLO NC(Cc1ccccc1)=[NH+]OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000105393819 589085259 /nfs/dbraw/zinc/08/52/59/589085259.db2.gz PISMXGNBBTXDIR-UHFFFAOYSA-N 1 2 344.415 0.599 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)[C@@H]1CCCO1 ZINC000807676459 587134608 /nfs/dbraw/zinc/13/46/08/587134608.db2.gz NOLDLRRGSBZUCQ-ULQDDVLXSA-N 1 2 341.411 0.586 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)[C@@H]1CCCO1 ZINC000807676459 587134610 /nfs/dbraw/zinc/13/46/10/587134610.db2.gz NOLDLRRGSBZUCQ-ULQDDVLXSA-N 1 2 341.411 0.586 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)[C@@H]1CCCO1 ZINC000807676455 587134754 /nfs/dbraw/zinc/13/47/54/587134754.db2.gz NOLDLRRGSBZUCQ-BBWFWOEESA-N 1 2 341.411 0.586 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)[C@@H]1CCCO1 ZINC000807676455 587134756 /nfs/dbraw/zinc/13/47/56/587134756.db2.gz NOLDLRRGSBZUCQ-BBWFWOEESA-N 1 2 341.411 0.586 20 30 ECEDLO CN(C)c1c(C=[NH+]Nc2cccc([N+](=O)[O-])c2)c(=O)n(C)c(=O)n1C ZINC000807945002 587140465 /nfs/dbraw/zinc/14/04/65/587140465.db2.gz YYWNICCZGRGYLW-UHFFFAOYSA-N 1 2 346.347 0.504 20 30 ECEDLO CN(C)c1c(C=[NH+]Nc2ccc3[nH]ncc3c2)c(=O)n(C)c(=O)n1C ZINC000807981581 587141181 /nfs/dbraw/zinc/14/11/81/587141181.db2.gz PBMBMJXYLPKJAK-UHFFFAOYSA-N 1 2 341.375 0.472 20 30 ECEDLO C#CCCS(=O)(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000808284860 587151992 /nfs/dbraw/zinc/15/19/92/587151992.db2.gz MXZKUWMJNLPOID-UHFFFAOYSA-N 1 2 342.383 0.926 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[C@H]1CCCO1 ZINC000809303836 587173206 /nfs/dbraw/zinc/17/32/06/587173206.db2.gz BZMYALKMHVMKSF-ZIAGYGMSSA-N 1 2 330.388 0.413 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)CC2(C(=O)OC)CCCC2)CC1 ZINC000809810278 587183127 /nfs/dbraw/zinc/18/31/27/587183127.db2.gz RAJSXRXGOOKBOS-UHFFFAOYSA-N 1 2 342.461 0.691 20 30 ECEDLO C#C[C@@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cn1)[C@H]1CCCO1 ZINC000811185899 587214008 /nfs/dbraw/zinc/21/40/08/587214008.db2.gz WTRHJLLWNXJQDJ-NVXWUHKLSA-N 1 2 329.400 0.824 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1 ZINC000819698088 587486251 /nfs/dbraw/zinc/48/62/51/587486251.db2.gz SJKMHGZXOZRTBN-UHFFFAOYSA-N 1 2 346.341 0.926 20 30 ECEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@H](O)CC1=O ZINC000819745669 587488671 /nfs/dbraw/zinc/48/86/71/587488671.db2.gz OQYZVFBZOODOSJ-CQSZACIVSA-N 1 2 328.376 0.405 20 30 ECEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@H](O)CC1=O ZINC000819745669 587488672 /nfs/dbraw/zinc/48/86/72/587488672.db2.gz OQYZVFBZOODOSJ-CQSZACIVSA-N 1 2 328.376 0.405 20 30 ECEDLO C[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1[nH]cc[nH+]1 ZINC000820268321 587522495 /nfs/dbraw/zinc/52/24/95/587522495.db2.gz SSNIVCPJFVZGQB-SECBINFHSA-N 1 2 333.373 0.326 20 30 ECEDLO C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@](C)(C#N)CC(=O)[O-])CC2)CC1 ZINC000820620979 587545017 /nfs/dbraw/zinc/54/50/17/587545017.db2.gz ZLZZXZBEIXVALL-QGZVFWFLSA-N 1 2 336.436 0.666 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2cn(CC3(CC)COC3)nn2)CC1 ZINC000825077902 587915759 /nfs/dbraw/zinc/91/57/59/587915759.db2.gz LUBHVVFOSRMAQG-UHFFFAOYSA-N 1 2 331.420 0.486 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)nnn3C)CC1 ZINC000827037001 588096799 /nfs/dbraw/zinc/09/67/99/588096799.db2.gz BGPKFCQDSBPOMO-UHFFFAOYSA-N 1 2 333.417 0.298 20 30 ECEDLO C#CCCN(CCOC)C(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000827431667 588120221 /nfs/dbraw/zinc/12/02/21/588120221.db2.gz RPIJOFUBXTUTJO-UHFFFAOYSA-N 1 2 343.427 0.617 20 30 ECEDLO C#Cc1cccc(CNC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000829615074 588332042 /nfs/dbraw/zinc/33/20/42/588332042.db2.gz OMDFWPXPZILVIA-QGZVFWFLSA-N 1 2 341.411 0.217 20 30 ECEDLO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000829982989 588351961 /nfs/dbraw/zinc/35/19/61/588351961.db2.gz JUWQITFUXOQTBK-QLJPJBMISA-N 1 2 329.360 0.946 20 30 ECEDLO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000829982989 588351963 /nfs/dbraw/zinc/35/19/63/588351963.db2.gz JUWQITFUXOQTBK-QLJPJBMISA-N 1 2 329.360 0.946 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)[C@@H](C)CCC)CC1 ZINC000845861592 589173181 /nfs/dbraw/zinc/17/31/81/589173181.db2.gz BHDYOUDJNDCOAV-AWEZNQCLSA-N 1 2 329.466 0.262 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)[C@@H](C)CCC)CC1 ZINC000845861592 589173183 /nfs/dbraw/zinc/17/31/83/589173183.db2.gz BHDYOUDJNDCOAV-AWEZNQCLSA-N 1 2 329.466 0.262 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@]2(c3ccccc3)CCC(=O)NC2)CC1 ZINC000847489543 589251195 /nfs/dbraw/zinc/25/11/95/589251195.db2.gz PHCUAQOWFCRNGX-LJQANCHMSA-N 1 2 325.412 0.612 20 30 ECEDLO O=C(N[C@H]1CCCN(O)C1=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000848133171 589278869 /nfs/dbraw/zinc/27/88/69/589278869.db2.gz UAMOOGNKNJPXPZ-AWEZNQCLSA-N 1 2 334.376 0.024 20 30 ECEDLO O=C(N[C@H]1CCCN(O)C1=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000848131242 589278915 /nfs/dbraw/zinc/27/89/15/589278915.db2.gz BCGAOVNBOOABMR-NSHDSACASA-N 1 2 345.315 0.891 20 30 ECEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000848636217 589304822 /nfs/dbraw/zinc/30/48/22/589304822.db2.gz KKNGPXZYRUSPJH-MWDXBVQZSA-N 1 2 349.475 0.862 20 30 ECEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000848636217 589304824 /nfs/dbraw/zinc/30/48/24/589304824.db2.gz KKNGPXZYRUSPJH-MWDXBVQZSA-N 1 2 349.475 0.862 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](N3CCOC3=O)C2)cc1 ZINC000852433012 589496032 /nfs/dbraw/zinc/49/60/32/589496032.db2.gz NHSBWHFDARRVOE-CQSZACIVSA-N 1 2 349.412 0.858 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](N3CCOC3=O)C2)cc1 ZINC000852433012 589496034 /nfs/dbraw/zinc/49/60/34/589496034.db2.gz NHSBWHFDARRVOE-CQSZACIVSA-N 1 2 349.412 0.858 20 30 ECEDLO C#C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)C1CCOCC1 ZINC000852642173 589504425 /nfs/dbraw/zinc/50/44/25/589504425.db2.gz XVEUIVCEWJTWIC-OIISXLGYSA-N 1 2 335.448 0.919 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@H](C)O[C@@](C)(C(F)F)C2)CC1 ZINC000852779471 589511697 /nfs/dbraw/zinc/51/16/97/589511697.db2.gz GKHTYFARJGZYIB-XJKSGUPXSA-N 1 2 329.391 0.508 20 30 ECEDLO C#CCOCCn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000853017498 589529458 /nfs/dbraw/zinc/52/94/58/589529458.db2.gz JJSDNCPPZGSIOX-MRXNPFEDSA-N 1 2 327.388 0.896 20 30 ECEDLO C#CCOCCn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000853017498 589529459 /nfs/dbraw/zinc/52/94/59/589529459.db2.gz JJSDNCPPZGSIOX-MRXNPFEDSA-N 1 2 327.388 0.896 20 30 ECEDLO CO[C@@H](C=NNC(=S)NCC[NH+]1CCOCC1)C1CCCC1 ZINC000853263239 589539157 /nfs/dbraw/zinc/53/91/57/589539157.db2.gz CWUCVPDUXSKSNQ-AWEZNQCLSA-N 1 2 328.482 0.974 20 30 ECEDLO COC(=O)CCN1CCC[C@H](O[NH+]=C(N)c2ccc(OC)cc2)C1=O ZINC000853654242 589553748 /nfs/dbraw/zinc/55/37/48/589553748.db2.gz FGTHZGNZQIOXBQ-AWEZNQCLSA-N 1 2 349.387 0.886 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1O ZINC000854452974 589586824 /nfs/dbraw/zinc/58/68/24/589586824.db2.gz BFJCAFCGIFIMOA-MJBXVCDLSA-N 1 2 344.415 0.964 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1O ZINC000854452974 589586825 /nfs/dbraw/zinc/58/68/25/589586825.db2.gz BFJCAFCGIFIMOA-MJBXVCDLSA-N 1 2 344.415 0.964 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1O ZINC000854452975 589586959 /nfs/dbraw/zinc/58/69/59/589586959.db2.gz BFJCAFCGIFIMOA-RDBSUJKOSA-N 1 2 344.415 0.964 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1O ZINC000854452975 589586960 /nfs/dbraw/zinc/58/69/60/589586960.db2.gz BFJCAFCGIFIMOA-RDBSUJKOSA-N 1 2 344.415 0.964 20 30 ECEDLO C#CCOCCC(=O)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000854567876 589593518 /nfs/dbraw/zinc/59/35/18/589593518.db2.gz BXONVWQGYYBFFX-OAHLLOKOSA-N 1 2 326.462 0.693 20 30 ECEDLO C=CCCONC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000856032511 589651601 /nfs/dbraw/zinc/65/16/01/589651601.db2.gz QBSBJELFGJUGOX-AWEZNQCLSA-N 1 2 325.409 0.324 20 30 ECEDLO C#CCCN(CCOC)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000856388740 589662665 /nfs/dbraw/zinc/66/26/65/589662665.db2.gz YZVKTFUFOHAFPK-UHFFFAOYSA-N 1 2 330.432 0.702 20 30 ECEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCOC[C@H]1CCO ZINC000859217168 589808689 /nfs/dbraw/zinc/80/86/89/589808689.db2.gz PFPHWJCDQQFGRR-CQSZACIVSA-N 1 2 328.368 0.369 20 30 ECEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCOC[C@H]1CCO ZINC000859217168 589808690 /nfs/dbraw/zinc/80/86/90/589808690.db2.gz PFPHWJCDQQFGRR-CQSZACIVSA-N 1 2 328.368 0.369 20 30 ECEDLO Cc1ncc(S(=O)(=O)N[C@H]2CCC[N@H+](CCF)C2)cc1C#N ZINC000867713903 589828535 /nfs/dbraw/zinc/82/85/35/589828535.db2.gz USJKBFLLWIIVDB-ZDUSSCGKSA-N 1 2 326.397 0.974 20 30 ECEDLO Cc1ncc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCF)C2)cc1C#N ZINC000867713903 589828538 /nfs/dbraw/zinc/82/85/38/589828538.db2.gz USJKBFLLWIIVDB-ZDUSSCGKSA-N 1 2 326.397 0.974 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN[C@]2(C(=O)OC)CCCC(C)(C)C2)CC1 ZINC000859549523 589850093 /nfs/dbraw/zinc/85/00/93/589850093.db2.gz CDSANDVPMPHRGV-LJQANCHMSA-N 1 2 349.475 0.865 20 30 ECEDLO CN1CCN(S(=O)(=O)c2cccnc2C#N)Cc2ccc[nH+]c21 ZINC000867899484 589861414 /nfs/dbraw/zinc/86/14/14/589861414.db2.gz CSGSHALPLQPIBR-UHFFFAOYSA-N 1 2 329.385 0.989 20 30 ECEDLO COc1ccnc(C(C)=NNC(=S)NCC[NH+]2CCOCC2)c1 ZINC000863067430 589989418 /nfs/dbraw/zinc/98/94/18/589989418.db2.gz XSPIUQXAQYZBHC-UHFFFAOYSA-N 1 2 337.449 0.611 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870057936 589991917 /nfs/dbraw/zinc/99/19/17/589991917.db2.gz GCLAUVYAPKICQK-HOTGVXAUSA-N 1 2 339.436 0.017 20 30 ECEDLO N#CC1(CC(=O)O[C@@H]2C[C@@H]3C(=O)NCc4ccc[nH+]c4N3C2)CC1 ZINC000870520816 590021258 /nfs/dbraw/zinc/02/12/58/590021258.db2.gz WETDEELDDPSWCC-CHWSQXEVSA-N 1 2 326.356 0.896 20 30 ECEDLO Cc1cccc(C#N)c1S(=O)(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000872475250 590119750 /nfs/dbraw/zinc/11/97/50/590119750.db2.gz KWQQJALWPXTNCX-UHFFFAOYSA-N 1 2 337.445 0.944 20 30 ECEDLO Cc1cccc(C#N)c1S(=O)(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000872475250 590119752 /nfs/dbraw/zinc/11/97/52/590119752.db2.gz KWQQJALWPXTNCX-UHFFFAOYSA-N 1 2 337.445 0.944 20 30 ECEDLO C=C(Br)CNC(=O)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000873691567 590196243 /nfs/dbraw/zinc/19/62/43/590196243.db2.gz LOYFSCGLVYLMMK-UHFFFAOYSA-N 1 2 342.197 0.292 20 30 ECEDLO C=C(Br)CNC(=O)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000873691567 590196244 /nfs/dbraw/zinc/19/62/44/590196244.db2.gz LOYFSCGLVYLMMK-UHFFFAOYSA-N 1 2 342.197 0.292 20 30 ECEDLO Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000873822593 590203799 /nfs/dbraw/zinc/20/37/99/590203799.db2.gz JTYSLOGCNVBCND-UHFFFAOYSA-N 1 2 348.378 0.735 20 30 ECEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(C#N)c1 ZINC000874346184 590232910 /nfs/dbraw/zinc/23/29/10/590232910.db2.gz PYQVJBFRMHPFKQ-HNNXBMFYSA-N 1 2 330.388 0.724 20 30 ECEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(C#N)c1 ZINC000874346184 590232912 /nfs/dbraw/zinc/23/29/12/590232912.db2.gz PYQVJBFRMHPFKQ-HNNXBMFYSA-N 1 2 330.388 0.724 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000875044005 590264871 /nfs/dbraw/zinc/26/48/71/590264871.db2.gz PDQZQDLWQSOZJL-HNNXBMFYSA-N 1 2 346.431 0.699 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000875141978 590275000 /nfs/dbraw/zinc/27/50/00/590275000.db2.gz BFMDODDAVPUTOE-CYBMUJFWSA-N 1 2 333.388 0.478 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000875286499 590290284 /nfs/dbraw/zinc/29/02/84/590290284.db2.gz BJXUPJZAQFHCBC-GOEBONIOSA-N 1 2 329.400 0.444 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000875286499 590290285 /nfs/dbraw/zinc/29/02/85/590290285.db2.gz BJXUPJZAQFHCBC-GOEBONIOSA-N 1 2 329.400 0.444 20 30 ECEDLO C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@H+](C)CCc1cccc(C#N)c1 ZINC000879434229 590311970 /nfs/dbraw/zinc/31/19/70/590311970.db2.gz GJNHBQCQZRPVIW-CJNGLKHVSA-N 1 2 349.456 0.724 20 30 ECEDLO C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879434229 590311972 /nfs/dbraw/zinc/31/19/72/590311972.db2.gz GJNHBQCQZRPVIW-CJNGLKHVSA-N 1 2 349.456 0.724 20 30 ECEDLO CNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000879589300 590326158 /nfs/dbraw/zinc/32/61/58/590326158.db2.gz YHLHXLCZSWAYIA-NSHDSACASA-N 1 2 333.367 0.663 20 30 ECEDLO CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000875864139 590340686 /nfs/dbraw/zinc/34/06/86/590340686.db2.gz NSKIUVSYMBCBDZ-HZPDHXFCSA-N 1 2 332.404 0.564 20 30 ECEDLO CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000875864139 590340689 /nfs/dbraw/zinc/34/06/89/590340689.db2.gz NSKIUVSYMBCBDZ-HZPDHXFCSA-N 1 2 332.404 0.564 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)cc1 ZINC000879932970 590352831 /nfs/dbraw/zinc/35/28/31/590352831.db2.gz YVKVWWDQWGJJOJ-JKSUJKDBSA-N 1 2 347.440 0.541 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)cc1 ZINC000879932970 590352833 /nfs/dbraw/zinc/35/28/33/590352833.db2.gz YVKVWWDQWGJJOJ-JKSUJKDBSA-N 1 2 347.440 0.541 20 30 ECEDLO CO[C@H]1COCC[C@H]1[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000880437256 590393163 /nfs/dbraw/zinc/39/31/63/590393163.db2.gz IKYBGOTXTDIRDM-KGLIPLIRSA-N 1 2 339.417 0.463 20 30 ECEDLO CO[C@H]1COCC[C@H]1[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000880437256 590393167 /nfs/dbraw/zinc/39/31/67/590393167.db2.gz IKYBGOTXTDIRDM-KGLIPLIRSA-N 1 2 339.417 0.463 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H](CCOC)NC(=O)OC(C)(C)C)CC1 ZINC000878448520 590521806 /nfs/dbraw/zinc/52/18/06/590521806.db2.gz SBPWSQGXWVKHGZ-CQSZACIVSA-N 1 2 339.436 0.694 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2c(=O)c3cncn3c3ccccc32)CC1 ZINC000883026761 590602201 /nfs/dbraw/zinc/60/22/01/590602201.db2.gz DUYDJQUJHDUORV-UHFFFAOYSA-N 1 2 349.394 0.427 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)NCCS(=O)(=O)CC2CC2)C1 ZINC000884227087 590782372 /nfs/dbraw/zinc/78/23/72/590782372.db2.gz HVKQGHACRAPMBX-AWEZNQCLSA-N 1 2 327.450 0.208 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NCCS(=O)(=O)CC2CC2)C1 ZINC000884227087 590782375 /nfs/dbraw/zinc/78/23/75/590782375.db2.gz HVKQGHACRAPMBX-AWEZNQCLSA-N 1 2 327.450 0.208 20 30 ECEDLO COC(=O)C[N@H+](CCN1CCOCC1)C[C@H](O)CC1(C#N)CCC1 ZINC000886014595 590785687 /nfs/dbraw/zinc/78/56/87/590785687.db2.gz LGFBJZVMXKTGAB-OAHLLOKOSA-N 1 2 339.436 0.238 20 30 ECEDLO COC(=O)C[N@@H+](CCN1CCOCC1)C[C@H](O)CC1(C#N)CCC1 ZINC000886014595 590785691 /nfs/dbraw/zinc/78/56/91/590785691.db2.gz LGFBJZVMXKTGAB-OAHLLOKOSA-N 1 2 339.436 0.238 20 30 ECEDLO COC(=O)CN(CC[NH+]1CCOCC1)C[C@H](O)CC1(C#N)CCC1 ZINC000886014595 590785694 /nfs/dbraw/zinc/78/56/94/590785694.db2.gz LGFBJZVMXKTGAB-OAHLLOKOSA-N 1 2 339.436 0.238 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](OCc2ccncc2)C1 ZINC000884334126 590808747 /nfs/dbraw/zinc/80/87/47/590808747.db2.gz IACRUVUBULIEGU-GJZGRUSLSA-N 1 2 333.388 0.646 20 30 ECEDLO CC(C)(C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[NH+]1CCCCC1 ZINC000886211949 590815214 /nfs/dbraw/zinc/81/52/14/590815214.db2.gz CHKRIOCBGUTZSQ-CZUORRHYSA-N 1 2 339.461 0.648 20 30 ECEDLO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886297471 590827629 /nfs/dbraw/zinc/82/76/29/590827629.db2.gz SFISVATWXABQJP-HZSPNIEDSA-N 1 2 338.404 0.858 20 30 ECEDLO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886297471 590827632 /nfs/dbraw/zinc/82/76/32/590827632.db2.gz SFISVATWXABQJP-HZSPNIEDSA-N 1 2 338.404 0.858 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1cccc(CC#N)n1 ZINC000890236681 590915965 /nfs/dbraw/zinc/91/59/65/590915965.db2.gz UFBUFGWBGKDPAU-CYBMUJFWSA-N 1 2 345.403 0.265 20 30 ECEDLO C#CCN1C(=O)C[C@H]([N@H+]2CCc3cc(C(=O)OC)ccc3C2)C1=O ZINC000887303484 590959098 /nfs/dbraw/zinc/95/90/98/590959098.db2.gz VFEHAEXBRNMZGE-HNNXBMFYSA-N 1 2 326.352 0.592 20 30 ECEDLO C#CCN1C(=O)C[C@H]([N@@H+]2CCc3cc(C(=O)OC)ccc3C2)C1=O ZINC000887303484 590959099 /nfs/dbraw/zinc/95/90/99/590959099.db2.gz VFEHAEXBRNMZGE-HNNXBMFYSA-N 1 2 326.352 0.592 20 30 ECEDLO C#CCNC(=O)C[N@@H+](CC)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000007361231 591184267 /nfs/dbraw/zinc/18/42/67/591184267.db2.gz MROVYNFMBGVZAI-UHFFFAOYSA-N 1 2 331.372 0.468 20 30 ECEDLO C#CCNC(=O)C[N@H+](CC)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000007361231 591184270 /nfs/dbraw/zinc/18/42/70/591184270.db2.gz MROVYNFMBGVZAI-UHFFFAOYSA-N 1 2 331.372 0.468 20 30 ECEDLO CS(C)(=O)=NS(=O)(=O)CC[NH2+]Cc1ccc(C#N)cc1F ZINC000922492213 611352594 /nfs/dbraw/zinc/35/25/94/611352594.db2.gz LHNVISWXQDTOCC-UHFFFAOYSA-N 1 2 333.410 0.844 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000948102380 611428440 /nfs/dbraw/zinc/42/84/40/611428440.db2.gz KLCCASYWSUAGCF-STQMWFEESA-N 1 2 329.404 0.712 20 30 ECEDLO COC1(OC)CC[N@H+](CC(=O)NC2(C#N)CCCCC2)C[C@@H]1O ZINC000931643719 611561363 /nfs/dbraw/zinc/56/13/63/611561363.db2.gz ADWCFYRMBGMFCT-ZDUSSCGKSA-N 1 2 325.409 0.385 20 30 ECEDLO COC1(OC)CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C[C@@H]1O ZINC000931643719 611561364 /nfs/dbraw/zinc/56/13/64/611561364.db2.gz ADWCFYRMBGMFCT-ZDUSSCGKSA-N 1 2 325.409 0.385 20 30 ECEDLO COc1ncc(NC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)cc1C#N ZINC000932507325 611635880 /nfs/dbraw/zinc/63/58/80/611635880.db2.gz JWCCCCFJOWBAPI-GFCCVEGCSA-N 1 2 332.408 0.719 20 30 ECEDLO COc1ncc(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1C#N ZINC000932516001 611636412 /nfs/dbraw/zinc/63/64/12/611636412.db2.gz ASOAGXMDINXLKR-AWEZNQCLSA-N 1 2 331.376 0.900 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cc(OC)n(C)n3)CC2)C1 ZINC000949408569 608671153 /nfs/dbraw/zinc/67/11/53/608671153.db2.gz AQYOOOUUMDOANF-UHFFFAOYSA-N 1 2 332.404 0.369 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cc(OC)n(C)n3)CC2)C1 ZINC000949408569 608671154 /nfs/dbraw/zinc/67/11/54/608671154.db2.gz AQYOOOUUMDOANF-UHFFFAOYSA-N 1 2 332.404 0.369 20 30 ECEDLO N#Cc1ccc(C(=O)NC2CCN(C(=O)Cn3cc[nH+]c3)CC2)[nH]1 ZINC000947275050 608709045 /nfs/dbraw/zinc/70/90/45/608709045.db2.gz HAQCCMXBOBNZFX-UHFFFAOYSA-N 1 2 326.360 0.504 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)c[nH]1 ZINC000937428283 608757313 /nfs/dbraw/zinc/75/73/13/608757313.db2.gz SOVFXPJNCOCQTG-HNNXBMFYSA-N 1 2 340.387 0.894 20 30 ECEDLO C=CCN1CC[C@@H](OC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1=O ZINC000923776789 608923597 /nfs/dbraw/zinc/92/35/97/608923597.db2.gz KGHQAZBOCUEPKK-KFWWJZLASA-N 1 2 338.404 0.196 20 30 ECEDLO O=C(NCC#CCO)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000923780017 608935484 /nfs/dbraw/zinc/93/54/84/608935484.db2.gz ATQSLDILQPTZEZ-KRWDZBQOSA-N 1 2 331.416 0.225 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)no3)[C@@H](C)C2)nn1 ZINC000947791769 611692270 /nfs/dbraw/zinc/69/22/70/611692270.db2.gz FWGRJVYBELRLKS-AAEUAGOBSA-N 1 2 345.407 0.938 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)no3)[C@@H](C)C2)nn1 ZINC000947791769 611692273 /nfs/dbraw/zinc/69/22/73/611692273.db2.gz FWGRJVYBELRLKS-AAEUAGOBSA-N 1 2 345.407 0.938 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)nn1 ZINC000937969294 609440934 /nfs/dbraw/zinc/44/09/34/609440934.db2.gz FPZUODHTQZRBPD-ZDUSSCGKSA-N 1 2 343.391 0.082 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)nn1 ZINC000938194661 609519102 /nfs/dbraw/zinc/51/91/02/609519102.db2.gz SPUMEOHDMCBABB-ZDUSSCGKSA-N 1 2 343.391 0.082 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)s1 ZINC000908015004 609637475 /nfs/dbraw/zinc/63/74/75/609637475.db2.gz MKJVPQJERWFLAH-STQMWFEESA-N 1 2 341.458 0.839 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)s1 ZINC000908015004 609637477 /nfs/dbraw/zinc/63/74/77/609637477.db2.gz MKJVPQJERWFLAH-STQMWFEESA-N 1 2 341.458 0.839 20 30 ECEDLO C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@H]1C ZINC000947823874 611708583 /nfs/dbraw/zinc/70/85/83/611708583.db2.gz BWUWULQTPUYLRH-OLZOCXBDSA-N 1 2 344.419 0.616 20 30 ECEDLO C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@H]1C ZINC000947823874 611708586 /nfs/dbraw/zinc/70/85/86/611708586.db2.gz BWUWULQTPUYLRH-OLZOCXBDSA-N 1 2 344.419 0.616 20 30 ECEDLO C#CCCCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000174479138 609791227 /nfs/dbraw/zinc/79/12/27/609791227.db2.gz IOVIJWYTSGHLLK-UHFFFAOYSA-N 1 2 343.431 0.833 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000938712961 609958701 /nfs/dbraw/zinc/95/87/01/609958701.db2.gz NCEPFGMQRLIKEQ-OAHLLOKOSA-N 1 2 340.387 0.915 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000938712961 609958703 /nfs/dbraw/zinc/95/87/03/609958703.db2.gz NCEPFGMQRLIKEQ-OAHLLOKOSA-N 1 2 340.387 0.915 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000938713657 609959077 /nfs/dbraw/zinc/95/90/77/609959077.db2.gz GQWOZJNSVHPZDF-UONOGXRCSA-N 1 2 326.400 0.960 20 30 ECEDLO N#Cc1cc(F)cc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000917066047 609960390 /nfs/dbraw/zinc/96/03/90/609960390.db2.gz FJXRYCSLCRGPFF-AWEZNQCLSA-N 1 2 338.408 0.366 20 30 ECEDLO N#Cc1cc(F)cc(S(=O)(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c1 ZINC000917066047 609960391 /nfs/dbraw/zinc/96/03/91/609960391.db2.gz FJXRYCSLCRGPFF-AWEZNQCLSA-N 1 2 338.408 0.366 20 30 ECEDLO C=CC[N@@H+](CCCNC(=O)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000154364972 609970272 /nfs/dbraw/zinc/97/02/72/609970272.db2.gz QFMZPMAMDZJTAM-JTQLQIEISA-N 1 2 328.356 0.730 20 30 ECEDLO C=CC[N@H+](CCCNC(=O)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000154364972 609970274 /nfs/dbraw/zinc/97/02/74/609970274.db2.gz QFMZPMAMDZJTAM-JTQLQIEISA-N 1 2 328.356 0.730 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)c1 ZINC000940010613 610185544 /nfs/dbraw/zinc/18/55/44/610185544.db2.gz FBVRCWVXRXROKU-MLGOLLRUSA-N 1 2 337.383 0.605 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000940380121 610276833 /nfs/dbraw/zinc/27/68/33/610276833.db2.gz RZKLMTUESBVOJS-MIGQKNRLSA-N 1 2 346.431 0.517 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccc4c3CCOC4)CC2)C1 ZINC000941484402 610337337 /nfs/dbraw/zinc/33/73/37/610337337.db2.gz XDHYAOTVSICGNT-UHFFFAOYSA-N 1 2 339.439 0.835 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCc3nc(C)cs3)CC2)C1 ZINC000941487797 610339224 /nfs/dbraw/zinc/33/92/24/610339224.db2.gz RWNQEGFYMWWEGV-UHFFFAOYSA-N 1 2 332.473 0.846 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCCN(C(=O)CCc3[nH]cc[nH+]3)CC2)[nH]1 ZINC000940785954 610361009 /nfs/dbraw/zinc/36/10/09/610361009.db2.gz LWHKWUSJQNXJDL-UHFFFAOYSA-N 1 2 340.387 0.917 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3Cc4cc(F)ccc4O3)CC2)C1 ZINC000941587868 610397464 /nfs/dbraw/zinc/39/74/64/610397464.db2.gz YBDJNEBPEDMVOH-SFHVURJKSA-N 1 2 343.402 0.591 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)c3c(C)n[nH]c3C)CC2)C1 ZINC000941607467 610405481 /nfs/dbraw/zinc/40/54/81/610405481.db2.gz OQWYYVAUSAMNRZ-ZDUSSCGKSA-N 1 2 329.448 0.592 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cn(CCC)nc3C)CC2)C1 ZINC000941615430 610411024 /nfs/dbraw/zinc/41/10/24/610411024.db2.gz XAQJMRMIKFJLHQ-UHFFFAOYSA-N 1 2 329.448 0.677 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3nn(C)c4ccccc43)CC2)C1 ZINC000941643682 610436981 /nfs/dbraw/zinc/43/69/81/610436981.db2.gz XZPYTFYGJPQTFW-UHFFFAOYSA-N 1 2 337.427 0.649 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3noc4c3COCC4)CC2)C1 ZINC000941672582 610445931 /nfs/dbraw/zinc/44/59/31/610445931.db2.gz XCVCDSMWWOJICM-UHFFFAOYSA-N 1 2 344.415 0.213 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCc3nccs3)CC2)C1 ZINC000941668519 610458664 /nfs/dbraw/zinc/45/86/64/610458664.db2.gz MNXYBCVQXACKEC-UHFFFAOYSA-N 1 2 332.473 0.927 20 30 ECEDLO CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000942719207 610584250 /nfs/dbraw/zinc/58/42/50/610584250.db2.gz IUUQOOOXFUZWQY-JKSUJKDBSA-N 1 2 333.432 0.180 20 30 ECEDLO CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000942719207 610584253 /nfs/dbraw/zinc/58/42/53/610584253.db2.gz IUUQOOOXFUZWQY-JKSUJKDBSA-N 1 2 333.432 0.180 20 30 ECEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000942729942 610589200 /nfs/dbraw/zinc/58/92/00/610589200.db2.gz YKISLAILOQINJQ-CQSZACIVSA-N 1 2 340.387 0.846 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC000941243135 610615088 /nfs/dbraw/zinc/61/50/88/610615088.db2.gz WEFOBLWCGKFBIL-HOCLYGCPSA-N 1 2 348.447 0.318 20 30 ECEDLO Cc1ccncc1C[NH+]1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC000941345571 610682877 /nfs/dbraw/zinc/68/28/77/610682877.db2.gz XOHBAGOOAAIJCR-HNNXBMFYSA-N 1 2 327.432 0.878 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000944175682 610767165 /nfs/dbraw/zinc/76/71/65/610767165.db2.gz FSBLQQFHKAAWRP-CYBMUJFWSA-N 1 2 340.387 0.881 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)Cc2[nH]cc[nH+]2)cn1 ZINC000944235275 610802290 /nfs/dbraw/zinc/80/22/90/610802290.db2.gz INTQTONUFGZZHE-OAHLLOKOSA-N 1 2 337.383 0.750 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)Cc1c[nH+]cn1C)CC2 ZINC000944983585 610869166 /nfs/dbraw/zinc/86/91/66/610869166.db2.gz QFDFJEAKVTZNAC-ZDUSSCGKSA-N 1 2 329.404 0.573 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)Cn2cc[nH+]c2)c[nH]1 ZINC000946243947 611169339 /nfs/dbraw/zinc/16/93/39/611169339.db2.gz YPLLTAWAUAMAIS-SWLSCSKDSA-N 1 2 340.387 0.798 20 30 ECEDLO C#CC[C@@H](CO)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000923343783 611231797 /nfs/dbraw/zinc/23/17/97/611231797.db2.gz AMLIZKOXVZVZTF-ZWKOTPCHSA-N 1 2 344.459 0.486 20 30 ECEDLO C#CC[C@@H](CO)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000923343783 611231801 /nfs/dbraw/zinc/23/18/01/611231801.db2.gz AMLIZKOXVZVZTF-ZWKOTPCHSA-N 1 2 344.459 0.486 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CCC[C@H]2NC(=O)Cn2cc[nH+]c2)[nH]1 ZINC000946240292 611314596 /nfs/dbraw/zinc/31/45/96/611314596.db2.gz NYCRHAWAZHUOBW-TZMCWYRMSA-N 1 2 340.387 0.798 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)Cn2cc[nH+]c2)c1 ZINC000946242826 611317085 /nfs/dbraw/zinc/31/70/85/611317085.db2.gz VOJZRUXRXBWSQQ-KGLIPLIRSA-N 1 2 340.387 0.798 20 30 ECEDLO C#CC[NH+]1CCC(NC(=O)N[C@H](C)C2(S(C)(=O)=O)CC2)CC1 ZINC000922435051 611350952 /nfs/dbraw/zinc/35/09/52/611350952.db2.gz JOBAYODKUYMRBU-GFCCVEGCSA-N 1 2 327.450 0.349 20 30 ECEDLO CC(C)(C)NC(=O)CNC(=O)C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933649733 611738729 /nfs/dbraw/zinc/73/87/29/611738729.db2.gz SQEDXQHOUZZTCT-UHFFFAOYSA-N 1 2 337.420 0.355 20 30 ECEDLO Cc1ccc(CNC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1C#N ZINC000929543564 611763451 /nfs/dbraw/zinc/76/34/51/611763451.db2.gz SSHKQVHTMTYVMG-CYBMUJFWSA-N 1 2 325.372 0.884 20 30 ECEDLO C#CC1(O)CN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000934442144 611799288 /nfs/dbraw/zinc/79/92/88/611799288.db2.gz LAWQQSYWTXOLNL-UHFFFAOYSA-N 1 2 329.400 0.137 20 30 ECEDLO CCn1ncnc1C[NH+]1CCC2(CC1)CN(C(=O)[C@@H](C)C#N)CCO2 ZINC000949052078 611829304 /nfs/dbraw/zinc/82/93/04/611829304.db2.gz WGCSAADPZXIXOT-AWEZNQCLSA-N 1 2 346.435 0.651 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000950234854 611919829 /nfs/dbraw/zinc/91/98/29/611919829.db2.gz CSGJUCZNTQRDHM-ZNMIVQPWSA-N 1 2 332.404 0.651 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CC1)C[N@@H+]([C@H](C)C(=O)N(C)C)CCO2 ZINC000949320193 611937854 /nfs/dbraw/zinc/93/78/54/611937854.db2.gz HUFUKGBKFWJNDQ-ZIAGYGMSSA-N 1 2 336.436 0.316 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CC1)C[N@H+]([C@H](C)C(=O)N(C)C)CCO2 ZINC000949320193 611937855 /nfs/dbraw/zinc/93/78/55/611937855.db2.gz HUFUKGBKFWJNDQ-ZIAGYGMSSA-N 1 2 336.436 0.316 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CC1)C[N@@H+]([C@@H](C)C(=O)N(C)C)CCO2 ZINC000949320191 611937865 /nfs/dbraw/zinc/93/78/65/611937865.db2.gz HUFUKGBKFWJNDQ-KGLIPLIRSA-N 1 2 336.436 0.316 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CC1)C[N@H+]([C@@H](C)C(=O)N(C)C)CCO2 ZINC000949320191 611937866 /nfs/dbraw/zinc/93/78/66/611937866.db2.gz HUFUKGBKFWJNDQ-KGLIPLIRSA-N 1 2 336.436 0.316 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000949387940 611961158 /nfs/dbraw/zinc/96/11/58/611961158.db2.gz WWUBXQGDXITLDZ-ZFWWWQNUSA-N 1 2 343.431 0.960 20 30 ECEDLO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3cn(C)ccc3=O)CC2)C1 ZINC000949412045 611969911 /nfs/dbraw/zinc/96/99/11/611969911.db2.gz PVYWWIHVBGDHSM-UHFFFAOYSA-N 1 2 331.416 0.878 20 30 ECEDLO C=CC[N@H+]1CCOC2(CCN(C(=O)c3cn(C)ccc3=O)CC2)C1 ZINC000949412045 611969914 /nfs/dbraw/zinc/96/99/14/611969914.db2.gz PVYWWIHVBGDHSM-UHFFFAOYSA-N 1 2 331.416 0.878 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1C[NH+](CCn2cncn2)C1 ZINC000950353249 611984156 /nfs/dbraw/zinc/98/41/56/611984156.db2.gz NAZJGDCOKHWJLO-CVEARBPZSA-N 1 2 333.436 0.792 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000949491793 612004523 /nfs/dbraw/zinc/00/45/23/612004523.db2.gz UDXWNBTUTRMHRA-OAHLLOKOSA-N 1 2 340.387 0.583 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cc4ncccn4n3)CC2)C1 ZINC000949499468 612009510 /nfs/dbraw/zinc/00/95/10/612009510.db2.gz SNKDOAWNKNZXAZ-UHFFFAOYSA-N 1 2 339.399 0.670 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cc4ncccn4n3)CC2)C1 ZINC000949499468 612009511 /nfs/dbraw/zinc/00/95/11/612009511.db2.gz SNKDOAWNKNZXAZ-UHFFFAOYSA-N 1 2 339.399 0.670 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cn(C(C)C)nn3)CC2)C1 ZINC000949503439 612011600 /nfs/dbraw/zinc/01/16/00/612011600.db2.gz DVGVLCYGVWBXAM-UHFFFAOYSA-N 1 2 331.420 0.799 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cn(C(C)C)nn3)CC2)C1 ZINC000949503439 612011602 /nfs/dbraw/zinc/01/16/02/612011602.db2.gz DVGVLCYGVWBXAM-UHFFFAOYSA-N 1 2 331.420 0.799 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cn(CC4CC4)nn3)CC2)C1 ZINC000949503459 612011719 /nfs/dbraw/zinc/01/17/19/612011719.db2.gz FRDVWESOFRQJLF-UHFFFAOYSA-N 1 2 343.431 0.628 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cn(CC4CC4)nn3)CC2)C1 ZINC000949503459 612011721 /nfs/dbraw/zinc/01/17/21/612011721.db2.gz FRDVWESOFRQJLF-UHFFFAOYSA-N 1 2 343.431 0.628 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)CC2)C1 ZINC000949520445 612018848 /nfs/dbraw/zinc/01/88/48/612018848.db2.gz SLWBLPJQQGITFE-MRXNPFEDSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)CC2)C1 ZINC000949520445 612018849 /nfs/dbraw/zinc/01/88/49/612018849.db2.gz SLWBLPJQQGITFE-MRXNPFEDSA-N 1 2 333.432 0.181 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)Cc2[nH]c[nH+]c2C)nc1 ZINC000951377822 612194443 /nfs/dbraw/zinc/19/44/43/612194443.db2.gz HZSJOSJOEDBEPT-AWEZNQCLSA-N 1 2 337.383 0.668 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000955365939 612504002 /nfs/dbraw/zinc/50/40/02/612504002.db2.gz BTLGCVKVZNTMER-CABCVRRESA-N 1 2 332.404 0.603 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000955365939 612504004 /nfs/dbraw/zinc/50/40/04/612504004.db2.gz BTLGCVKVZNTMER-CABCVRRESA-N 1 2 332.404 0.603 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000954823877 612716632 /nfs/dbraw/zinc/71/66/32/612716632.db2.gz ZRESUVQVLVDUFO-CJNGLKHVSA-N 1 2 348.447 0.316 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000954823877 612716634 /nfs/dbraw/zinc/71/66/34/612716634.db2.gz ZRESUVQVLVDUFO-CJNGLKHVSA-N 1 2 348.447 0.316 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000955629732 612718198 /nfs/dbraw/zinc/71/81/98/612718198.db2.gz RIPGVHBTJSWBPR-STQMWFEESA-N 1 2 340.387 0.892 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000956129992 612730185 /nfs/dbraw/zinc/73/01/85/612730185.db2.gz SGUVGHSJBGCSRF-AWEZNQCLSA-N 1 2 340.387 0.881 20 30 ECEDLO CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000954838930 612733817 /nfs/dbraw/zinc/73/38/17/612733817.db2.gz QKJPSHBZULZFDZ-UHFFFAOYSA-N 1 2 340.387 0.870 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)C#CC1CC1 ZINC000955677111 612757434 /nfs/dbraw/zinc/75/74/34/612757434.db2.gz YHKXGTKZKOJDIJ-UKRRQHHQSA-N 1 2 328.416 0.872 20 30 ECEDLO CCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)CC1 ZINC000956570954 612914285 /nfs/dbraw/zinc/91/42/85/612914285.db2.gz METFIXVQLDVEFM-OAHLLOKOSA-N 1 2 329.404 0.655 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]([NH+]2CCN(C(=O)CC3CC3)CC2)C1 ZINC000956576414 612915970 /nfs/dbraw/zinc/91/59/70/612915970.db2.gz UEQQIQVQBSWDAA-QGZVFWFLSA-N 1 2 329.444 0.945 20 30 ECEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc(C#N)cn1 ZINC001164701050 719843683 /nfs/dbraw/zinc/84/36/83/719843683.db2.gz LQCHPBMOFAIMIJ-PBHICJAKSA-N 1 2 345.403 0.581 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@H](C)CC3)C2)C1=O ZINC001078041245 782201473 /nfs/dbraw/zinc/20/14/73/782201473.db2.gz BPICVMNFPQOZMV-OVYGPGRDSA-N 1 2 349.475 0.761 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@H](C)CC3)C2)C1=O ZINC001078041245 782201481 /nfs/dbraw/zinc/20/14/81/782201481.db2.gz BPICVMNFPQOZMV-OVYGPGRDSA-N 1 2 349.475 0.761 20 30 ECEDLO C#Cc1ccc(C(=O)N(CCO)CCNc2cc[nH+]c(C)n2)cn1 ZINC001111490365 735421156 /nfs/dbraw/zinc/42/11/56/735421156.db2.gz DFNARFRHLLFMCR-UHFFFAOYSA-N 1 2 325.372 0.708 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cn4nccc4nc3C)[C@H]2C1 ZINC001083236591 735511896 /nfs/dbraw/zinc/51/18/96/735511896.db2.gz LDQZTFAJZFASRZ-JKSUJKDBSA-N 1 2 339.399 0.586 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cn4nccc4nc3C)[C@H]2C1 ZINC001083236591 735511897 /nfs/dbraw/zinc/51/18/97/735511897.db2.gz LDQZTFAJZFASRZ-JKSUJKDBSA-N 1 2 339.399 0.586 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3n[nH]c4c3C[C@@H](C)CC4)[C@H]2C1 ZINC001083237266 735520884 /nfs/dbraw/zinc/52/08/84/735520884.db2.gz UIMUOTWRPXGFDI-VBNZEHGJSA-N 1 2 328.416 0.693 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3n[nH]c4c3C[C@@H](C)CC4)[C@H]2C1 ZINC001083237266 735520886 /nfs/dbraw/zinc/52/08/86/735520886.db2.gz UIMUOTWRPXGFDI-VBNZEHGJSA-N 1 2 328.416 0.693 20 30 ECEDLO Cn1nnc(C[NH2+]C[C@H]2CCCCN2C(=O)c2c[nH]c(C#N)c2)n1 ZINC001024933215 738408254 /nfs/dbraw/zinc/40/82/54/738408254.db2.gz XAYZRSQWTPISNP-CYBMUJFWSA-N 1 2 328.380 0.194 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccn3ccccc23)[C@@H](n2ccnn2)C1 ZINC001069976482 790269984 /nfs/dbraw/zinc/26/99/84/790269984.db2.gz QAEGLPBZPSAEDF-WBVHZDCISA-N 1 2 334.383 0.819 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccn3ccccc23)[C@@H](n2ccnn2)C1 ZINC001069976482 790269989 /nfs/dbraw/zinc/26/99/89/790269989.db2.gz QAEGLPBZPSAEDF-WBVHZDCISA-N 1 2 334.383 0.819 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cn(CCOC)nn2)C1 ZINC000969658827 732027579 /nfs/dbraw/zinc/02/75/79/732027579.db2.gz ZWHJQJCPMRFQPC-NSHDSACASA-N 1 2 327.816 0.727 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000970042196 732664940 /nfs/dbraw/zinc/66/49/40/732664940.db2.gz GMHJAZUDOIAKMS-UXXRCYHCSA-N 1 2 341.415 0.885 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](C)CNc1ccnc(C#N)n1 ZINC001104234292 732920581 /nfs/dbraw/zinc/92/05/81/732920581.db2.gz UAJVBZCRNSOFLI-NWDGAFQWSA-N 1 2 327.392 0.536 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](C)CNc1ccnc(C#N)n1 ZINC001104234292 732920583 /nfs/dbraw/zinc/92/05/83/732920583.db2.gz UAJVBZCRNSOFLI-NWDGAFQWSA-N 1 2 327.392 0.536 20 30 ECEDLO C[C@@H](NC(=O)[C@H]1CCNC1=O)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000970268706 733282090 /nfs/dbraw/zinc/28/20/90/733282090.db2.gz OEJDLYILCTVVKW-ABAIWWIYSA-N 1 2 344.390 0.770 20 30 ECEDLO C[C@H](NC(=O)[C@@H]1CCNC1=O)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000970268713 733282313 /nfs/dbraw/zinc/28/23/13/733282313.db2.gz OEJDLYILCTVVKW-XHDPSFHLSA-N 1 2 344.390 0.770 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@H](C)C2C[NH+](CC(=O)NC)C2)cc1 ZINC000970536552 733656109 /nfs/dbraw/zinc/65/61/09/733656109.db2.gz UCKAOBWYXNTCPH-CYBMUJFWSA-N 1 2 329.400 0.495 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H](C)C2C[NH+](Cc3cnc(C)cn3)C2)nn1 ZINC000970545171 733662748 /nfs/dbraw/zinc/66/27/48/733662748.db2.gz WLIZEMWDMCBWPX-CYBMUJFWSA-N 1 2 341.419 0.813 20 30 ECEDLO C#CCNC(=O)CC(=O)N[C@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001111985690 738758156 /nfs/dbraw/zinc/75/81/56/738758156.db2.gz OKKXPUAWQVQQEA-AWEZNQCLSA-N 1 2 329.404 0.400 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3Cc4cc(F)ccc4O3)[C@H]2C1 ZINC001083211337 734227016 /nfs/dbraw/zinc/22/70/16/734227016.db2.gz UOKJSUHBGYHSJI-USXIJHARSA-N 1 2 330.359 0.674 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3Cc4cc(F)ccc4O3)[C@H]2C1 ZINC001083211337 734227018 /nfs/dbraw/zinc/22/70/18/734227018.db2.gz UOKJSUHBGYHSJI-USXIJHARSA-N 1 2 330.359 0.674 20 30 ECEDLO Cc1cc(N2CCO[C@@H](CNC(=O)Cn3cc[nH+]c3)C2)c(C#N)cn1 ZINC001104321630 734296056 /nfs/dbraw/zinc/29/60/56/734296056.db2.gz JWUWILUNMYWBCD-HNNXBMFYSA-N 1 2 340.387 0.480 20 30 ECEDLO N#Cc1ccc(N2CCO[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC001104326663 734325230 /nfs/dbraw/zinc/32/52/30/734325230.db2.gz QKKYKFAHBOARER-CYBMUJFWSA-N 1 2 326.360 0.240 20 30 ECEDLO Cc1ccc(C#N)c(NCCN(CCO)C(=O)Cc2c[nH+]cn2C)n1 ZINC001111489208 734405694 /nfs/dbraw/zinc/40/56/94/734405694.db2.gz OMMKKZBDDUQDPZ-UHFFFAOYSA-N 1 2 342.403 0.471 20 30 ECEDLO Cc1ccc(C#N)c(N2CCO[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001104349564 734521759 /nfs/dbraw/zinc/52/17/59/734521759.db2.gz IIQACCYLUNFAQP-OAHLLOKOSA-N 1 2 340.387 0.549 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC000971725635 734993409 /nfs/dbraw/zinc/99/34/09/734993409.db2.gz KCULUQVMHIXTRK-SNVBAGLBSA-N 1 2 332.242 0.939 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC000971725635 734993412 /nfs/dbraw/zinc/99/34/12/734993412.db2.gz KCULUQVMHIXTRK-SNVBAGLBSA-N 1 2 332.242 0.939 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C3CC3)on2)[C@@H](n2ccnn2)C1 ZINC001069990545 790285634 /nfs/dbraw/zinc/28/56/34/790285634.db2.gz UKHRMHGUMBQJSD-CABCVRRESA-N 1 2 340.387 0.822 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C3CC3)on2)[C@@H](n2ccnn2)C1 ZINC001069990545 790285639 /nfs/dbraw/zinc/28/56/39/790285639.db2.gz UKHRMHGUMBQJSD-CABCVRRESA-N 1 2 340.387 0.822 20 30 ECEDLO Cc1nc(C)n(CC[N@@H+]2CCO[C@@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)n1 ZINC000972297083 735905996 /nfs/dbraw/zinc/90/59/96/735905996.db2.gz GJUFMCORWSWOAM-DYVFJYSZSA-N 1 2 346.435 0.358 20 30 ECEDLO Cc1nc(C)n(CC[N@H+]2CCO[C@@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)n1 ZINC000972297083 735905999 /nfs/dbraw/zinc/90/59/99/735905999.db2.gz GJUFMCORWSWOAM-DYVFJYSZSA-N 1 2 346.435 0.358 20 30 ECEDLO C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001041963128 782502684 /nfs/dbraw/zinc/50/26/84/782502684.db2.gz HODYCZXHUWYWDJ-CYBMUJFWSA-N 1 2 332.404 0.101 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3cccc(C)c3=O)C2)C1 ZINC000972380333 736048439 /nfs/dbraw/zinc/04/84/39/736048439.db2.gz GCYSJGVYAZTGAH-SFHVURJKSA-N 1 2 331.416 0.646 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3cccc(C)c3=O)C2)C1 ZINC000972380333 736048440 /nfs/dbraw/zinc/04/84/40/736048440.db2.gz GCYSJGVYAZTGAH-SFHVURJKSA-N 1 2 331.416 0.646 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccnn3CC(F)F)C2)C1 ZINC000972380673 736048727 /nfs/dbraw/zinc/04/87/27/736048727.db2.gz IIHLVAITXKDAER-MRXNPFEDSA-N 1 2 338.358 0.698 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccnn3CC(F)F)C2)C1 ZINC000972380673 736048729 /nfs/dbraw/zinc/04/87/29/736048729.db2.gz IIHLVAITXKDAER-MRXNPFEDSA-N 1 2 338.358 0.698 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCc4n[nH]cc43)C2)C1 ZINC000972386630 736056299 /nfs/dbraw/zinc/05/62/99/736056299.db2.gz FGWZFRLHDGJRAD-RDTXWAMCSA-N 1 2 328.416 0.766 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCc4n[nH]cc43)C2)C1 ZINC000972386630 736056306 /nfs/dbraw/zinc/05/63/06/736056306.db2.gz FGWZFRLHDGJRAD-RDTXWAMCSA-N 1 2 328.416 0.766 20 30 ECEDLO C=CCCC(=O)NCC1(O)CN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001041966884 782509916 /nfs/dbraw/zinc/50/99/16/782509916.db2.gz WERADFHLKBPDCK-UHFFFAOYSA-N 1 2 328.372 0.604 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)Cn3ccc(C)n3)C2)C1 ZINC000972394214 736114022 /nfs/dbraw/zinc/11/40/22/736114022.db2.gz AOCGCWFGWCBOTM-MAUKXSAKSA-N 1 2 330.432 0.764 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)Cn3ccc(C)n3)C2)C1 ZINC000972394214 736114023 /nfs/dbraw/zinc/11/40/23/736114023.db2.gz AOCGCWFGWCBOTM-MAUKXSAKSA-N 1 2 330.432 0.764 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)N3C(=O)CCC3=O)C2)C1 ZINC000972410984 736142723 /nfs/dbraw/zinc/14/27/23/736142723.db2.gz YOIDPKVSWRPVHF-GUYCJALGSA-N 1 2 335.404 0.013 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)N3C(=O)CCC3=O)C2)C1 ZINC000972410984 736142725 /nfs/dbraw/zinc/14/27/25/736142725.db2.gz YOIDPKVSWRPVHF-GUYCJALGSA-N 1 2 335.404 0.013 20 30 ECEDLO C#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC000972437874 736193980 /nfs/dbraw/zinc/19/39/80/736193980.db2.gz MKIBRSPAWZPPPE-CRAIPNDOSA-N 1 2 328.416 0.382 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)c(C)n[nH]c3=O)C2)C1 ZINC000972492829 736381790 /nfs/dbraw/zinc/38/17/90/736381790.db2.gz RWNBHAWBZCPMEI-KRWDZBQOSA-N 1 2 330.388 0.349 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)c(C)n[nH]c3=O)C2)C1 ZINC000972492829 736381793 /nfs/dbraw/zinc/38/17/93/736381793.db2.gz RWNBHAWBZCPMEI-KRWDZBQOSA-N 1 2 330.388 0.349 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@H]([N@@H+](C)Cc3cnnn3C)C2)nn1 ZINC000972517262 736529307 /nfs/dbraw/zinc/52/93/07/736529307.db2.gz OZFRXTFVWREEKM-ZDUSSCGKSA-N 1 2 344.423 0.329 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@H]([N@H+](C)Cc3cnnn3C)C2)nn1 ZINC000972517262 736529312 /nfs/dbraw/zinc/52/93/12/736529312.db2.gz OZFRXTFVWREEKM-ZDUSSCGKSA-N 1 2 344.423 0.329 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCc4nn(C)cc43)C2)C1 ZINC000972517315 736529766 /nfs/dbraw/zinc/52/97/66/736529766.db2.gz DWMJWDQJFXZUPW-BEFAXECRSA-N 1 2 342.443 0.777 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCc4nn(C)cc43)C2)C1 ZINC000972517315 736529768 /nfs/dbraw/zinc/52/97/68/736529768.db2.gz DWMJWDQJFXZUPW-BEFAXECRSA-N 1 2 342.443 0.777 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c(=O)cc3OC)C2)C1 ZINC000972555924 736745135 /nfs/dbraw/zinc/74/51/35/736745135.db2.gz BHUPPHOYUJWDHU-QGZVFWFLSA-N 1 2 331.372 0.346 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c(=O)cc3OC)C2)C1 ZINC000972555924 736745137 /nfs/dbraw/zinc/74/51/37/736745137.db2.gz BHUPPHOYUJWDHU-QGZVFWFLSA-N 1 2 331.372 0.346 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN3C(=O)C3CC3)C2)C1 ZINC000972585136 736965627 /nfs/dbraw/zinc/96/56/27/736965627.db2.gz IKDYRRCFXODMJD-LPHOPBHVSA-N 1 2 347.459 0.877 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN3C(=O)C3CC3)C2)C1 ZINC000972585136 736965630 /nfs/dbraw/zinc/96/56/30/736965630.db2.gz IKDYRRCFXODMJD-LPHOPBHVSA-N 1 2 347.459 0.877 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3nnnc3C(C)C)C2)C1 ZINC000972595152 737027411 /nfs/dbraw/zinc/02/74/11/737027411.db2.gz VQDHRLZEOILLFJ-QGZVFWFLSA-N 1 2 346.435 0.123 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3nnnc3C(C)C)C2)C1 ZINC000972595152 737027416 /nfs/dbraw/zinc/02/74/16/737027416.db2.gz VQDHRLZEOILLFJ-QGZVFWFLSA-N 1 2 346.435 0.123 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)COc3cccnc3)C2)C1 ZINC000972598113 737041804 /nfs/dbraw/zinc/04/18/04/737041804.db2.gz AEARJZQNNVWFEY-GOSISDBHSA-N 1 2 329.400 0.787 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)COc3cccnc3)C2)C1 ZINC000972598113 737041808 /nfs/dbraw/zinc/04/18/08/737041808.db2.gz AEARJZQNNVWFEY-GOSISDBHSA-N 1 2 329.400 0.787 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC(C)(F)F)[C@H](OC)C1 ZINC001213406861 737071883 /nfs/dbraw/zinc/07/18/83/737071883.db2.gz AARYAEIPNURRIK-IJLUTSLNSA-N 1 2 333.379 0.538 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC(C)(F)F)[C@H](OC)C1 ZINC001213406861 737071889 /nfs/dbraw/zinc/07/18/89/737071889.db2.gz AARYAEIPNURRIK-IJLUTSLNSA-N 1 2 333.379 0.538 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CCC[C@H]3CC)C2)C1 ZINC000972628438 737153948 /nfs/dbraw/zinc/15/39/48/737153948.db2.gz RQZHOLRCAUTAFJ-VQIMIIECSA-N 1 2 347.459 0.714 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CCC[C@H]3CC)C2)C1 ZINC000972628438 737153951 /nfs/dbraw/zinc/15/39/51/737153951.db2.gz RQZHOLRCAUTAFJ-VQIMIIECSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3csc4nccn34)C2)C1 ZINC000972676998 737356666 /nfs/dbraw/zinc/35/66/66/737356666.db2.gz NHYLCECCKFAUEP-QGZVFWFLSA-N 1 2 344.440 0.875 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3csc4nccn34)C2)C1 ZINC000972676998 737356671 /nfs/dbraw/zinc/35/66/71/737356671.db2.gz NHYLCECCKFAUEP-QGZVFWFLSA-N 1 2 344.440 0.875 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)cn3)C2)C1 ZINC000972697335 737413345 /nfs/dbraw/zinc/41/33/45/737413345.db2.gz VZIGOZJHCDCIBD-QGZVFWFLSA-N 1 2 330.388 0.283 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)cn3)C2)C1 ZINC000972697335 737413348 /nfs/dbraw/zinc/41/33/48/737413348.db2.gz VZIGOZJHCDCIBD-QGZVFWFLSA-N 1 2 330.388 0.283 20 30 ECEDLO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001024508090 738037813 /nfs/dbraw/zinc/03/78/13/738037813.db2.gz FQLOKONXKBZFCR-CQSZACIVSA-N 1 2 326.462 0.968 20 30 ECEDLO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001024508090 738037816 /nfs/dbraw/zinc/03/78/16/738037816.db2.gz FQLOKONXKBZFCR-CQSZACIVSA-N 1 2 326.462 0.968 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N(CCO)CCNc1cc(C)ncc1C#N ZINC001111492535 738115328 /nfs/dbraw/zinc/11/53/28/738115328.db2.gz DQCOYEVHPDHALZ-UHFFFAOYSA-N 1 2 342.403 0.191 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nc1 ZINC000973411443 739225577 /nfs/dbraw/zinc/22/55/77/739225577.db2.gz VEDCVUGAFROBAG-KBUPBQIOSA-N 1 2 349.394 0.967 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nc1 ZINC000973411443 739225582 /nfs/dbraw/zinc/22/55/82/739225582.db2.gz VEDCVUGAFROBAG-KBUPBQIOSA-N 1 2 349.394 0.967 20 30 ECEDLO Cc1cc(NC[C@@H](C)N(C)C(=O)Cc2c[nH+]cn2C)c(C#N)cn1 ZINC001104625145 739261849 /nfs/dbraw/zinc/26/18/49/739261849.db2.gz YSJISZIXMXSZSV-CYBMUJFWSA-N 1 2 326.404 0.919 20 30 ECEDLO N#Cc1cnc(N2CCC3(C[C@H]3NC(=O)Cc3[nH]cc[nH+]3)CC2)cn1 ZINC001058639832 739654025 /nfs/dbraw/zinc/65/40/25/739654025.db2.gz SOUNBOOTBRDGRN-CYBMUJFWSA-N 1 2 337.387 0.789 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2O)C1 ZINC001025542475 739702596 /nfs/dbraw/zinc/70/25/96/739702596.db2.gz TXYVABMOYIHJPK-HUUCEWRRSA-N 1 2 346.431 0.397 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775936 739945112 /nfs/dbraw/zinc/94/51/12/739945112.db2.gz SBQAJNDWPCAEEB-LJIZCISZSA-N 1 2 326.356 0.770 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775936 739945116 /nfs/dbraw/zinc/94/51/16/739945116.db2.gz SBQAJNDWPCAEEB-LJIZCISZSA-N 1 2 326.356 0.770 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)nc(OC)c2)[C@@H](n2ccnn2)C1 ZINC001070009415 790313568 /nfs/dbraw/zinc/31/35/68/790313568.db2.gz YXHXIHCYVHRDQA-CABCVRRESA-N 1 2 340.387 0.279 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)nc(OC)c2)[C@@H](n2ccnn2)C1 ZINC001070009415 790313570 /nfs/dbraw/zinc/31/35/70/790313570.db2.gz YXHXIHCYVHRDQA-CABCVRRESA-N 1 2 340.387 0.279 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001025937398 740265425 /nfs/dbraw/zinc/26/54/25/740265425.db2.gz MFGQYGFSHIAMHJ-KKJSVHSVSA-N 1 2 342.237 0.453 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001025937398 740265427 /nfs/dbraw/zinc/26/54/27/740265427.db2.gz MFGQYGFSHIAMHJ-KKJSVHSVSA-N 1 2 342.237 0.453 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)c3c(C)nn(C)c3C)[C@H]2C1 ZINC001083292028 740548268 /nfs/dbraw/zinc/54/82/68/740548268.db2.gz LIKHVZJXEVMSJW-VBNZEHGJSA-N 1 2 330.432 0.685 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)c3c(C)nn(C)c3C)[C@H]2C1 ZINC001083292028 740548272 /nfs/dbraw/zinc/54/82/72/740548272.db2.gz LIKHVZJXEVMSJW-VBNZEHGJSA-N 1 2 330.432 0.685 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cnccn3)C2)C1=O ZINC001006617743 751575528 /nfs/dbraw/zinc/57/55/28/751575528.db2.gz YBCPFGVZCVRGHQ-HIFRSBDPSA-N 1 2 329.404 0.458 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cnccn3)C2)C1=O ZINC001006617743 751575531 /nfs/dbraw/zinc/57/55/31/751575531.db2.gz YBCPFGVZCVRGHQ-HIFRSBDPSA-N 1 2 329.404 0.458 20 30 ECEDLO C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)CCc1[nH+]ccn1C ZINC001104892771 740833135 /nfs/dbraw/zinc/83/31/35/740833135.db2.gz SMTJNTPXPXWQBA-GFCCVEGCSA-N 1 2 327.392 0.973 20 30 ECEDLO N#Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c[nH]1 ZINC000974053584 740854219 /nfs/dbraw/zinc/85/42/19/740854219.db2.gz MKZVGMLDRDLDGC-ZMJPVWNMSA-N 1 2 338.371 0.790 20 30 ECEDLO N#Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c[nH]1 ZINC000974053584 740854221 /nfs/dbraw/zinc/85/42/21/740854221.db2.gz MKZVGMLDRDLDGC-ZMJPVWNMSA-N 1 2 338.371 0.790 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000974182983 741069498 /nfs/dbraw/zinc/06/94/98/741069498.db2.gz PSCNDJYTAPWMRV-CLWVCHIJSA-N 1 2 346.431 0.707 20 30 ECEDLO C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C[C@H]1CCNCC#N ZINC001105041426 741218794 /nfs/dbraw/zinc/21/87/94/741218794.db2.gz FBPPFDBILQQNOL-OIISXLGYSA-N 1 2 334.464 0.695 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N(CCO)CCNc1ncccc1C#N ZINC001111596988 741285300 /nfs/dbraw/zinc/28/53/00/741285300.db2.gz OGHRHNYUIKGVSW-UHFFFAOYSA-N 1 2 342.403 0.552 20 30 ECEDLO C#CCNC(=O)CC(=O)N1CCC[C@@H]([C@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001105077357 741307674 /nfs/dbraw/zinc/30/76/74/741307674.db2.gz MTKUAPXYPCIMJW-DZGCQCFKSA-N 1 2 343.431 0.964 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccncc3)C2)nn1 ZINC001105132951 741404618 /nfs/dbraw/zinc/40/46/18/741404618.db2.gz HKEQPYJXLAGRBS-UHFFFAOYSA-N 1 2 340.387 0.110 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[N@@H+]([C@H](C)C(=O)NC)CC2)nn1 ZINC000982143079 751639330 /nfs/dbraw/zinc/63/93/30/751639330.db2.gz OFZMSTBLPGNOKF-CYBMUJFWSA-N 1 2 334.424 0.137 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[N@H+]([C@H](C)C(=O)NC)CC2)nn1 ZINC000982143079 751639335 /nfs/dbraw/zinc/63/93/35/751639335.db2.gz OFZMSTBLPGNOKF-CYBMUJFWSA-N 1 2 334.424 0.137 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccncc3C)C2)nn1 ZINC001105242910 741543350 /nfs/dbraw/zinc/54/33/50/741543350.db2.gz NNZUKADCCAEXKN-UHFFFAOYSA-N 1 2 338.415 0.720 20 30 ECEDLO C=C(C)CCC(=O)N1CC(n2cc(C[NH2+][C@H](C)C(=O)NC)nn2)C1 ZINC001105252049 741561298 /nfs/dbraw/zinc/56/12/98/741561298.db2.gz DVMVPRDCILJKEI-GFCCVEGCSA-N 1 2 334.424 0.242 20 30 ECEDLO C=C(C)CCC(=O)N1CC(n2cc(C[NH2+][C@@H]3CCCNC3=O)nn2)C1 ZINC001105252581 741562405 /nfs/dbraw/zinc/56/24/05/741562405.db2.gz YEZNFSPXUBURIA-OAHLLOKOSA-N 1 2 346.435 0.386 20 30 ECEDLO C=C(C)CCC(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(=O)N(C)C)nn2)C1 ZINC001105254375 741568584 /nfs/dbraw/zinc/56/85/84/741568584.db2.gz XEWJYHDMNBOGLK-ZDUSSCGKSA-N 1 2 348.451 0.584 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C3(CC#C)CCOCC3)C2)nn1 ZINC001105256496 741571080 /nfs/dbraw/zinc/57/10/80/741571080.db2.gz GTLPWNXBXUPLIZ-UHFFFAOYSA-N 1 2 341.415 0.204 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccnc(OC)c3)C2)nn1 ZINC001105275282 741621261 /nfs/dbraw/zinc/62/12/61/741621261.db2.gz JQTRGKZDALCAOR-UHFFFAOYSA-N 1 2 326.360 0.102 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3n[nH]c4c3CCC4)C2)nn1 ZINC001105276888 741627656 /nfs/dbraw/zinc/62/76/56/741627656.db2.gz WVUUXNGGOVRSRJ-UHFFFAOYSA-N 1 2 339.403 0.300 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3n[nH]c4c3CCCC4)C2)nn1 ZINC001105276896 741627814 /nfs/dbraw/zinc/62/78/14/741627814.db2.gz XHMRLUMDUIREMA-UHFFFAOYSA-N 1 2 339.403 0.300 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(OC)nc3)C2)nn1 ZINC001105278434 741633629 /nfs/dbraw/zinc/63/36/29/741633629.db2.gz CTVVMCNICSBUGE-UHFFFAOYSA-N 1 2 326.360 0.102 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3snnc3CC)C2)nn1 ZINC001105278770 741634633 /nfs/dbraw/zinc/63/46/33/741634633.db2.gz WOPLJZWZONKTGF-UHFFFAOYSA-N 1 2 331.405 0.112 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc4[nH]nc(C)c4c3)C2)nn1 ZINC001105280772 741636990 /nfs/dbraw/zinc/63/69/90/741636990.db2.gz CDQAGHGZFOSLCA-UHFFFAOYSA-N 1 2 349.398 0.883 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](OC)C3CCC3)C2)nn1 ZINC001105292640 741656177 /nfs/dbraw/zinc/65/61/77/741656177.db2.gz YPKSGDFIMJPDEF-MRXNPFEDSA-N 1 2 331.420 0.589 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC(n2cc(C[NH2+][C@H](C)C(=O)NC)nn2)C1 ZINC001105310243 741715561 /nfs/dbraw/zinc/71/55/61/741715561.db2.gz VBRIOGQWYJXORM-QWHCGFSZSA-N 1 2 348.451 0.488 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CC(n2cc(C[NH2+][C@@H](CC)C(N)=O)nn2)C1 ZINC001105309796 741718217 /nfs/dbraw/zinc/71/82/17/741718217.db2.gz CIHQZHYZEAEBNQ-WFASDCNBSA-N 1 2 348.451 0.617 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000982155968 751663924 /nfs/dbraw/zinc/66/39/24/751663924.db2.gz VKEBUTGAQFQEGZ-XNISGKROSA-N 1 2 346.431 0.944 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[C@H](OC)C3)C2)nn1 ZINC001105313605 741740297 /nfs/dbraw/zinc/74/02/97/741740297.db2.gz FCKJLFWXVGOIDV-YOEHRIQHSA-N 1 2 345.447 0.980 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CC(n2cc(C[NH2+][C@@H](CC)C(N)=O)nn2)C1 ZINC001105318771 741764771 /nfs/dbraw/zinc/76/47/71/741764771.db2.gz OIOJHWSHWGZYOH-WMLDXEAASA-N 1 2 348.451 0.617 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001105319090 741772153 /nfs/dbraw/zinc/77/21/53/741772153.db2.gz YMDPOCRRVYSUSM-ZBEGNZNMSA-N 1 2 334.424 0.227 20 30 ECEDLO C=CCCC1(C(=O)N2CC(n3cc(C[NH2+][C@@H](C)C(N)=O)nn3)C2)CC1 ZINC001105322126 741784023 /nfs/dbraw/zinc/78/40/23/741784023.db2.gz AODZKINPHRUYKV-LBPRGKRZSA-N 1 2 346.435 0.371 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]c(=O)cc3C)C2)nn1 ZINC001105325431 741800423 /nfs/dbraw/zinc/80/04/23/741800423.db2.gz PQPJHWCUCDYXOQ-UHFFFAOYSA-N 1 2 340.387 0.497 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C2CC3(C2)NC(=O)NC3=O)CC1 ZINC000982172524 751681969 /nfs/dbraw/zinc/68/19/69/751681969.db2.gz BOQFLPSCTSOGFZ-UHFFFAOYSA-N 1 2 340.811 0.261 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C2CC3(C2)NC(=O)NC3=O)CC1 ZINC000982172524 751681971 /nfs/dbraw/zinc/68/19/71/751681971.db2.gz BOQFLPSCTSOGFZ-UHFFFAOYSA-N 1 2 340.811 0.261 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2csnn2)C1 ZINC001026893788 742039044 /nfs/dbraw/zinc/03/90/44/742039044.db2.gz NOUHMNRJTVYHHG-ZFWWWQNUSA-N 1 2 333.461 0.574 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)Cn3cc(Cl)cn3)C2)nn1 ZINC001105336470 742368982 /nfs/dbraw/zinc/36/89/82/742368982.db2.gz FGALSLHRPIUQPZ-UHFFFAOYSA-N 1 2 347.810 0.324 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CC(=O)NC3CC3)CC2(C)C)c1 ZINC000975008473 742444405 /nfs/dbraw/zinc/44/44/05/742444405.db2.gz ABZPQFIJGNTMPK-MRXNPFEDSA-N 1 2 340.427 0.782 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CC(=O)NC3CC3)CC2(C)C)c1 ZINC000975008473 742444406 /nfs/dbraw/zinc/44/44/06/742444406.db2.gz ABZPQFIJGNTMPK-MRXNPFEDSA-N 1 2 340.427 0.782 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000975191281 742583198 /nfs/dbraw/zinc/58/31/98/742583198.db2.gz ZTXCKBBOWLEWQB-GFCCVEGCSA-N 1 2 340.387 0.821 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]([C@H](C)c3nnnn3C)C2)nc1 ZINC001028936272 742923308 /nfs/dbraw/zinc/92/33/08/742923308.db2.gz STHATQPSPPQNFA-OCCSQVGLSA-N 1 2 339.403 0.399 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@H](C)c3nnnn3C)C2)nc1 ZINC001028936272 742923311 /nfs/dbraw/zinc/92/33/11/742923311.db2.gz STHATQPSPPQNFA-OCCSQVGLSA-N 1 2 339.403 0.399 20 30 ECEDLO N#Cc1cc(C(=O)NCC[NH2+]Cc2nc(CC(F)(F)F)no2)c[nH]1 ZINC001125994811 743115649 /nfs/dbraw/zinc/11/56/49/743115649.db2.gz LLANIGSAFOYWOF-UHFFFAOYSA-N 1 2 342.281 0.894 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000997235455 743384434 /nfs/dbraw/zinc/38/44/34/743384434.db2.gz GOAIORYZBZTBQE-UHFFFAOYSA-N 1 2 336.395 0.812 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCC[C@H]3OC)C2)nn1 ZINC001105381317 743458324 /nfs/dbraw/zinc/45/83/24/743458324.db2.gz XHQWQCFDWZEWBT-IAGOWNOFSA-N 1 2 345.447 0.980 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)[nH]1 ZINC000983575471 743482128 /nfs/dbraw/zinc/48/21/28/743482128.db2.gz DTWNONBFCYXVJF-CHWSQXEVSA-N 1 2 340.387 0.940 20 30 ECEDLO C=C1CC(C)(C(=O)N(CCO)CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001058770059 743966613 /nfs/dbraw/zinc/96/66/13/743966613.db2.gz SANNVFAXZIPMNW-UHFFFAOYSA-N 1 2 334.420 0.636 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)Cn2cc[nH+]c2)[nH]1 ZINC000976540191 744047080 /nfs/dbraw/zinc/04/70/80/744047080.db2.gz ZXTRBGFIZYCPMV-ZIAGYGMSSA-N 1 2 340.387 0.940 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000976729381 744252323 /nfs/dbraw/zinc/25/23/23/744252323.db2.gz QPZMBXOWOARVHO-JYKNGBAOSA-N 1 2 327.388 0.178 20 30 ECEDLO C=CCn1cccc1C(=O)N(C)C1CC([NH2+]Cc2nnn(C)n2)C1 ZINC000998904123 744394751 /nfs/dbraw/zinc/39/47/51/744394751.db2.gz OSFVMNLXUWXWHL-UHFFFAOYSA-N 1 2 329.408 0.590 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)cc1 ZINC000976936644 744491809 /nfs/dbraw/zinc/49/18/09/744491809.db2.gz NEWJIAHRFBEXSW-VQFNDLOPSA-N 1 2 334.379 0.820 20 30 ECEDLO C#Cc1cncc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1 ZINC000999318622 744622459 /nfs/dbraw/zinc/62/24/59/744622459.db2.gz XXBIEQWGTRGXSZ-HUUCEWRRSA-N 1 2 335.367 0.530 20 30 ECEDLO C#Cc1cncc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1 ZINC000999318622 744622461 /nfs/dbraw/zinc/62/24/61/744622461.db2.gz XXBIEQWGTRGXSZ-HUUCEWRRSA-N 1 2 335.367 0.530 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncnn2CC)C1 ZINC000999392100 744671892 /nfs/dbraw/zinc/67/18/92/744671892.db2.gz PRZLWFXZTCOGKZ-CVEARBPZSA-N 1 2 344.463 0.476 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]21 ZINC000977216527 744795802 /nfs/dbraw/zinc/79/58/02/744795802.db2.gz CTTKFXLVNGEDIS-KDEOKCCVSA-N 1 2 344.415 0.506 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]21 ZINC000977216527 744795804 /nfs/dbraw/zinc/79/58/04/744795804.db2.gz CTTKFXLVNGEDIS-KDEOKCCVSA-N 1 2 344.415 0.506 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cnnn3C)CC2(C)C)nn1 ZINC000977252774 744816436 /nfs/dbraw/zinc/81/64/36/744816436.db2.gz QQPCCARQCHXODA-CQSZACIVSA-N 1 2 344.423 0.233 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cnnn3C)CC2(C)C)nn1 ZINC000977252774 744816438 /nfs/dbraw/zinc/81/64/38/744816438.db2.gz QQPCCARQCHXODA-CQSZACIVSA-N 1 2 344.423 0.233 20 30 ECEDLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CN(C(=O)C#CC2CC2)C1 ZINC001006894767 751952710 /nfs/dbraw/zinc/95/27/10/751952710.db2.gz HMQOUYNPAFAPAK-APHBMKBZSA-N 1 2 340.427 0.900 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001006905819 751962983 /nfs/dbraw/zinc/96/29/83/751962983.db2.gz RHIJGHIOTZQMDY-DFBGVHRSSA-N 1 2 332.404 0.506 20 30 ECEDLO N#CCSCC(=O)N1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001059198213 745116118 /nfs/dbraw/zinc/11/61/18/745116118.db2.gz NYARMMMCGZMSDD-CYBMUJFWSA-N 1 2 335.433 0.495 20 30 ECEDLO O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001058784988 745146555 /nfs/dbraw/zinc/14/65/55/745146555.db2.gz KBQMXNSVYXPWSK-CQSZACIVSA-N 1 2 344.415 0.180 20 30 ECEDLO CN(C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(=O)c1ccc(C#N)[nH]1 ZINC000988387188 751976066 /nfs/dbraw/zinc/97/60/66/751976066.db2.gz AWNYTTDSFOMBIU-GFCCVEGCSA-N 1 2 340.387 0.773 20 30 ECEDLO CN(C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(=O)c1c[nH]c(C#N)c1 ZINC000988387197 751977461 /nfs/dbraw/zinc/97/74/61/751977461.db2.gz BANMVUUYQAVIHC-LBPRGKRZSA-N 1 2 340.387 0.773 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCc3nc(C)no3)C2)nn1 ZINC001098697154 745217369 /nfs/dbraw/zinc/21/73/69/745217369.db2.gz BWGPULDSMUIVKR-AWEZNQCLSA-N 1 2 343.391 0.099 20 30 ECEDLO CN(C[C@@H]1CCN1C(=O)Cn1cc[nH+]c1)C(=O)c1c[nH]c(C#N)c1 ZINC000977581914 745239174 /nfs/dbraw/zinc/23/91/74/745239174.db2.gz ZSRZVXAVZBRAPK-AWEZNQCLSA-N 1 2 326.360 0.456 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)C(C)(C)C1 ZINC000977581584 745239309 /nfs/dbraw/zinc/23/93/09/745239309.db2.gz WRCOGWJUWCFQHH-SNVBAGLBSA-N 1 2 328.800 0.117 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)C(C)(C)C1 ZINC000977581584 745239312 /nfs/dbraw/zinc/23/93/12/745239312.db2.gz WRCOGWJUWCFQHH-SNVBAGLBSA-N 1 2 328.800 0.117 20 30 ECEDLO CN(C[C@@H]1CCN1C(=O)CCc1c[nH]c[nH+]1)C(=O)c1ccc(C#N)[nH]1 ZINC000977602223 745252719 /nfs/dbraw/zinc/25/27/19/745252719.db2.gz RCPUVZLDYSSYHV-AWEZNQCLSA-N 1 2 340.387 0.915 20 30 ECEDLO CN(C[C@@H]1CCN1C(=O)CCc1c[nH+]c[nH]1)C(=O)c1ccc(C#N)[nH]1 ZINC000977602223 745252723 /nfs/dbraw/zinc/25/27/23/745252723.db2.gz RCPUVZLDYSSYHV-AWEZNQCLSA-N 1 2 340.387 0.915 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cn(C)c(=O)n2C)C(C)(C)C1 ZINC000977635467 745297044 /nfs/dbraw/zinc/29/70/44/745297044.db2.gz LTONEQMOGNVGDR-LBPRGKRZSA-N 1 2 326.828 0.917 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cn(C)c(=O)n2C)C(C)(C)C1 ZINC000977635467 745297047 /nfs/dbraw/zinc/29/70/47/745297047.db2.gz LTONEQMOGNVGDR-LBPRGKRZSA-N 1 2 326.828 0.917 20 30 ECEDLO Cc1cnc([C@H](C)[N@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)cn1 ZINC001083413321 745486089 /nfs/dbraw/zinc/48/60/89/745486089.db2.gz INZSECLHMJFCFZ-XZJROXQQSA-N 1 2 340.387 0.521 20 30 ECEDLO Cc1cnc([C@H](C)[N@@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)cn1 ZINC001083413321 745486091 /nfs/dbraw/zinc/48/60/91/745486091.db2.gz INZSECLHMJFCFZ-XZJROXQQSA-N 1 2 340.387 0.521 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3c(C)cnn3C)C2)nn1 ZINC001098700576 745622057 /nfs/dbraw/zinc/62/20/57/745622057.db2.gz PMIADROPLYZCMT-AWEZNQCLSA-N 1 2 327.392 0.130 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)NC ZINC001029312132 745680142 /nfs/dbraw/zinc/68/01/42/745680142.db2.gz RTINWPQKFQFASH-LJIZCISZSA-N 1 2 335.448 0.777 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)NC ZINC001029312132 745680146 /nfs/dbraw/zinc/68/01/46/745680146.db2.gz RTINWPQKFQFASH-LJIZCISZSA-N 1 2 335.448 0.777 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C2 ZINC001000894835 745875074 /nfs/dbraw/zinc/87/50/74/745875074.db2.gz VAYORKVXQZFROS-OWYFMNJBSA-N 1 2 344.415 0.791 20 30 ECEDLO C#Cc1cncc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C3)c1 ZINC001000897381 745876798 /nfs/dbraw/zinc/87/67/98/745876798.db2.gz SZTHOVLMCDWROK-IKGGRYGDSA-N 1 2 349.394 0.890 20 30 ECEDLO N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)nn1 ZINC001059331088 745969178 /nfs/dbraw/zinc/96/91/78/745969178.db2.gz BFLGMOUULPPKQE-MRVWCRGKSA-N 1 2 337.387 0.866 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3nnc(C)[nH]3)C[C@H]21 ZINC000978163185 745976227 /nfs/dbraw/zinc/97/62/27/745976227.db2.gz DLKDCUZLAPUOGH-SUJAAXHWSA-N 1 2 345.447 0.888 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nnc(C)[nH]3)C[C@H]21 ZINC000978163185 745976233 /nfs/dbraw/zinc/97/62/33/745976233.db2.gz DLKDCUZLAPUOGH-SUJAAXHWSA-N 1 2 345.447 0.888 20 30 ECEDLO N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001059336897 746001104 /nfs/dbraw/zinc/00/11/04/746001104.db2.gz WSDOILQNZLOHJT-JHJVBQTASA-N 1 2 337.387 0.866 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4cnn[nH]4)[C@@H]3C2)c(F)c1 ZINC000978388197 746265702 /nfs/dbraw/zinc/26/57/02/746265702.db2.gz JCOCHOXSDZMJLY-ZSOGYDGISA-N 1 2 340.362 0.923 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cnn[nH]4)[C@@H]3C2)c(F)c1 ZINC000978388197 746265705 /nfs/dbraw/zinc/26/57/05/746265705.db2.gz JCOCHOXSDZMJLY-ZSOGYDGISA-N 1 2 340.362 0.923 20 30 ECEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001001456392 746395497 /nfs/dbraw/zinc/39/54/97/746395497.db2.gz LHTQLIOUIYLIDO-GFCCVEGCSA-N 1 2 333.841 0.179 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC001001456392 746395502 /nfs/dbraw/zinc/39/55/02/746395502.db2.gz LHTQLIOUIYLIDO-GFCCVEGCSA-N 1 2 333.841 0.179 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@H](Nc2nccnc2C#N)C1 ZINC001058942251 752097057 /nfs/dbraw/zinc/09/70/57/752097057.db2.gz CVGZLKITTZLULR-LBPRGKRZSA-N 1 2 325.376 0.727 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](Nc2nccnc2C#N)C1 ZINC001059414196 746764418 /nfs/dbraw/zinc/76/44/18/746764418.db2.gz FIDQYGBLNSPSIN-FDYHWXHSSA-N 1 2 337.387 0.945 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001059418759 746805595 /nfs/dbraw/zinc/80/55/95/746805595.db2.gz AYNFTFPKIPDPEN-SYQHCUMBSA-N 1 2 346.435 0.896 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3ccc(F)cc3)[C@@H](O)C2)C1=O ZINC001083310716 746947387 /nfs/dbraw/zinc/94/73/87/746947387.db2.gz IJYGDYUMRXUQNZ-PMPSAXMXSA-N 1 2 347.390 0.388 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3ccc(F)cc3)[C@@H](O)C2)C1=O ZINC001083310716 746947390 /nfs/dbraw/zinc/94/73/90/746947390.db2.gz IJYGDYUMRXUQNZ-PMPSAXMXSA-N 1 2 347.390 0.388 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cn3cc(C)cn3)C2)nn1 ZINC001098628343 746982621 /nfs/dbraw/zinc/98/26/21/746982621.db2.gz APNPHDGVAZSHEW-MRXNPFEDSA-N 1 2 341.419 0.370 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CSC(C)C)[C@H](OC)C1 ZINC001211888818 747127086 /nfs/dbraw/zinc/12/70/86/747127086.db2.gz QBXCGGUITJULLJ-BFHYXJOUSA-N 1 2 343.493 0.634 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CSC(C)C)[C@H](OC)C1 ZINC001211888818 747127093 /nfs/dbraw/zinc/12/70/93/747127093.db2.gz QBXCGGUITJULLJ-BFHYXJOUSA-N 1 2 343.493 0.634 20 30 ECEDLO N#CCN1CC[C@@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088079166 747268218 /nfs/dbraw/zinc/26/82/18/747268218.db2.gz OVGNWFPCHVUGJJ-RYRKJORJSA-N 1 2 346.475 0.934 20 30 ECEDLO N#CCN1CC[C@@H]2CN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088079166 747268220 /nfs/dbraw/zinc/26/82/20/747268220.db2.gz OVGNWFPCHVUGJJ-RYRKJORJSA-N 1 2 346.475 0.934 20 30 ECEDLO Cc1noc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)n1 ZINC000979295654 747559583 /nfs/dbraw/zinc/55/95/83/747559583.db2.gz RKDVTVAKHXNTHV-IINYFYTJSA-N 1 2 344.375 0.597 20 30 ECEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001002723889 747701974 /nfs/dbraw/zinc/70/19/74/747701974.db2.gz VKRFZXOXVLBXNC-HNNXBMFYSA-N 1 2 346.362 0.886 20 30 ECEDLO N#CCN1CC[C@@H](OCC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001088237756 747849043 /nfs/dbraw/zinc/84/90/43/747849043.db2.gz BVCNRBYMFIUBSR-MRXNPFEDSA-N 1 2 331.420 0.805 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cn1 ZINC001002856174 747884259 /nfs/dbraw/zinc/88/42/59/747884259.db2.gz FFAKTJSVBWLESQ-HZPDHXFCSA-N 1 2 349.394 0.778 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cn1 ZINC001002856174 747884264 /nfs/dbraw/zinc/88/42/64/747884264.db2.gz FFAKTJSVBWLESQ-HZPDHXFCSA-N 1 2 349.394 0.778 20 30 ECEDLO C[N@H+](Cc1nnc2n1CCOC2)C1CCN(C(=O)C#CC2CC2)CC1 ZINC000985428899 747984896 /nfs/dbraw/zinc/98/48/96/747984896.db2.gz KCFVRAFBKCGIJF-UHFFFAOYSA-N 1 2 343.431 0.645 20 30 ECEDLO C[N@@H+](Cc1nnc2n1CCOC2)C1CCN(C(=O)C#CC2CC2)CC1 ZINC000985428899 747984897 /nfs/dbraw/zinc/98/48/97/747984897.db2.gz KCFVRAFBKCGIJF-UHFFFAOYSA-N 1 2 343.431 0.645 20 30 ECEDLO C=CCn1cccc1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001003030358 748093539 /nfs/dbraw/zinc/09/35/39/748093539.db2.gz OKXZLCOPOCCGOL-UHFFFAOYSA-N 1 2 339.461 0.913 20 30 ECEDLO C=CCCOCCNC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000342000688 748165926 /nfs/dbraw/zinc/16/59/26/748165926.db2.gz IDLXDVULFAUQAW-AWEZNQCLSA-N 1 2 334.420 0.835 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)Cc3ccco3)C2)nn1 ZINC001105343998 748264807 /nfs/dbraw/zinc/26/48/07/748264807.db2.gz HEGQPLIYKYCAFB-ZDUSSCGKSA-N 1 2 327.388 0.856 20 30 ECEDLO Cn1nnc(C[NH2+][C@@H]2CCCCCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001088299929 748567584 /nfs/dbraw/zinc/56/75/84/748567584.db2.gz ZYRRNWZXBMAEEI-CYBMUJFWSA-N 1 2 342.407 0.584 20 30 ECEDLO C=C(Br)C[NH+]1CCC(NC(=O)Cc2nc[nH]n2)CC1 ZINC001003929416 749052116 /nfs/dbraw/zinc/05/21/16/749052116.db2.gz BOTNREYTRZYKDG-UHFFFAOYSA-N 1 2 328.214 0.836 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001059648526 749109850 /nfs/dbraw/zinc/10/98/50/749109850.db2.gz UORAMVVJXLPUHA-CABCVRRESA-N 1 2 332.404 0.276 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC001013933879 761937914 /nfs/dbraw/zinc/93/79/14/761937914.db2.gz NSPPRRCBQLSZEE-DOMZBBRYSA-N 1 2 337.383 0.748 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C(=O)C(C)(C)C)C2)nn1 ZINC001098632548 749368674 /nfs/dbraw/zinc/36/86/74/749368674.db2.gz CNXCIWQCHPOWMZ-AWEZNQCLSA-N 1 2 331.420 0.780 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001027916196 749369617 /nfs/dbraw/zinc/36/96/17/749369617.db2.gz FYXPPWPTRXSNLV-ZIAGYGMSSA-N 1 2 343.855 0.814 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001027916196 749369624 /nfs/dbraw/zinc/36/96/24/749369624.db2.gz FYXPPWPTRXSNLV-ZIAGYGMSSA-N 1 2 343.855 0.814 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3ccccc3C)[C@@H](O)C2)C1=O ZINC001083317917 749440656 /nfs/dbraw/zinc/44/06/56/749440656.db2.gz UHYRHFJIEGGASA-IKGGRYGDSA-N 1 2 343.427 0.557 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3ccccc3C)[C@@H](O)C2)C1=O ZINC001083317917 749440661 /nfs/dbraw/zinc/44/06/61/749440661.db2.gz UHYRHFJIEGGASA-IKGGRYGDSA-N 1 2 343.427 0.557 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3ncnn3C)C2)nc1 ZINC001029889992 749447611 /nfs/dbraw/zinc/44/76/11/749447611.db2.gz VLKQFIPQAOYMQG-OAHLLOKOSA-N 1 2 338.415 0.786 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)Cc3ncnn3C)C2)nc1 ZINC001029889992 749447613 /nfs/dbraw/zinc/44/76/13/749447613.db2.gz VLKQFIPQAOYMQG-OAHLLOKOSA-N 1 2 338.415 0.786 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3nnnn3C)C2)cn1 ZINC001029891644 749463183 /nfs/dbraw/zinc/46/31/83/749463183.db2.gz IZJMDUWHLVRHLS-ZDUSSCGKSA-N 1 2 339.403 0.181 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3nnnn3C)C2)cn1 ZINC001029891644 749463188 /nfs/dbraw/zinc/46/31/88/749463188.db2.gz IZJMDUWHLVRHLS-ZDUSSCGKSA-N 1 2 339.403 0.181 20 30 ECEDLO Cn1ncc(CCC(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)n1 ZINC001004546611 749608117 /nfs/dbraw/zinc/60/81/17/749608117.db2.gz JKWOGYPEDUVGAF-MRXNPFEDSA-N 1 2 330.436 0.974 20 30 ECEDLO Cn1ncc(CCC(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)n1 ZINC001004546611 749608122 /nfs/dbraw/zinc/60/81/22/749608122.db2.gz JKWOGYPEDUVGAF-MRXNPFEDSA-N 1 2 330.436 0.974 20 30 ECEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC001004622617 749700063 /nfs/dbraw/zinc/70/00/63/749700063.db2.gz OGIXUEGLBMMYEL-CQSZACIVSA-N 1 2 332.404 0.362 20 30 ECEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC001004622617 749700071 /nfs/dbraw/zinc/70/00/71/749700071.db2.gz OGIXUEGLBMMYEL-CQSZACIVSA-N 1 2 332.404 0.362 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC000986420692 749903513 /nfs/dbraw/zinc/90/35/13/749903513.db2.gz AEVDFLLGXZXGFO-MCIONIFRSA-N 1 2 329.404 0.429 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC000986599021 750174752 /nfs/dbraw/zinc/17/47/52/750174752.db2.gz OUUJRGCMDOGKJS-KFWWJZLASA-N 1 2 329.404 0.740 20 30 ECEDLO C[C@H](NC(=O)CSCC#N)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001051428081 762053747 /nfs/dbraw/zinc/05/37/47/762053747.db2.gz UZVQCRBZQUOZRL-NWDGAFQWSA-N 1 2 335.433 0.562 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC([C@@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001005864962 750744389 /nfs/dbraw/zinc/74/43/89/750744389.db2.gz ZKNQUJWOAFLINW-SNVBAGLBSA-N 1 2 340.387 0.737 20 30 ECEDLO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001005870610 750748154 /nfs/dbraw/zinc/74/81/54/750748154.db2.gz QDPWBHVFISSGQZ-LLVKDONJSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001005870610 750748157 /nfs/dbraw/zinc/74/81/57/750748157.db2.gz QDPWBHVFISSGQZ-LLVKDONJSA-N 1 2 340.387 0.819 20 30 ECEDLO Cc1nc(N(C)C)nc(NC[C@H](O)CNC(=O)C#CC(C)(C)C)[nH+]1 ZINC001105825918 762077398 /nfs/dbraw/zinc/07/73/98/762077398.db2.gz TYRFQOKUOMLFIN-GFCCVEGCSA-N 1 2 334.424 0.185 20 30 ECEDLO C=CCn1cc(C(=O)NCCC[NH2+]Cc2noc(C3CC3)n2)nn1 ZINC001167848456 750988440 /nfs/dbraw/zinc/98/84/40/750988440.db2.gz SYXUIBJEDXWRIU-UHFFFAOYSA-N 1 2 331.380 0.634 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(CC4CC4)c3)C2)nn1 ZINC001105357890 751015903 /nfs/dbraw/zinc/01/59/03/751015903.db2.gz MOBYIEGUYGOLSF-UHFFFAOYSA-N 1 2 339.403 0.305 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H](C)CCC)[C@H](OC)C1 ZINC001212006557 752398455 /nfs/dbraw/zinc/39/84/55/752398455.db2.gz DKJDUDYBEKPOPJ-RRFJBIMHSA-N 1 2 325.453 0.930 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)CCC)[C@H](OC)C1 ZINC001212006557 752398462 /nfs/dbraw/zinc/39/84/62/752398462.db2.gz DKJDUDYBEKPOPJ-RRFJBIMHSA-N 1 2 325.453 0.930 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001212036003 752425675 /nfs/dbraw/zinc/42/56/75/752425675.db2.gz FJZLKLCRRIGMQH-MGPQQGTHSA-N 1 2 341.452 0.308 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001212036003 752425680 /nfs/dbraw/zinc/42/56/80/752425680.db2.gz FJZLKLCRRIGMQH-MGPQQGTHSA-N 1 2 341.452 0.308 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccc4c[nH]nc4c3)C2)nn1 ZINC001105367814 752465046 /nfs/dbraw/zinc/46/50/46/752465046.db2.gz BJGYTBNEEFVXKK-UHFFFAOYSA-N 1 2 349.398 0.503 20 30 ECEDLO C=CCOCC(=O)NCC[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001075921230 752728428 /nfs/dbraw/zinc/72/84/28/752728428.db2.gz NOALJWQPTJZRDX-AWEZNQCLSA-N 1 2 348.447 0.976 20 30 ECEDLO CCn1ncc(C[N@@H+]2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001028469628 752766480 /nfs/dbraw/zinc/76/64/80/752766480.db2.gz BWZLMKRGHIXJEG-LBPRGKRZSA-N 1 2 327.392 0.750 20 30 ECEDLO CCn1ncc(C[N@H+]2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001028469628 752766482 /nfs/dbraw/zinc/76/64/82/752766482.db2.gz BWZLMKRGHIXJEG-LBPRGKRZSA-N 1 2 327.392 0.750 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)COCC)[C@H](OC)C1 ZINC001211802396 752792402 /nfs/dbraw/zinc/79/24/02/752792402.db2.gz PXBKXJJBBBRVHJ-HUUCEWRRSA-N 1 2 341.452 0.263 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)COCC)[C@H](OC)C1 ZINC001211802396 752792406 /nfs/dbraw/zinc/79/24/06/752792406.db2.gz PXBKXJJBBBRVHJ-HUUCEWRRSA-N 1 2 341.452 0.263 20 30 ECEDLO Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)nn1 ZINC001083454158 752808496 /nfs/dbraw/zinc/80/84/96/752808496.db2.gz PRLYJCMTIFYJRS-SJORKVTESA-N 1 2 337.383 0.632 20 30 ECEDLO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)nn1 ZINC001083454158 752808505 /nfs/dbraw/zinc/80/85/05/752808505.db2.gz PRLYJCMTIFYJRS-SJORKVTESA-N 1 2 337.383 0.632 20 30 ECEDLO O=C(C#CC1CC1)N1CCO[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001007745646 752891788 /nfs/dbraw/zinc/89/17/88/752891788.db2.gz ODLTXEFEGGRQNI-GOSISDBHSA-N 1 2 342.399 0.196 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1nnc([C@@H]2CCCOC2)o1 ZINC001126377952 753047628 /nfs/dbraw/zinc/04/76/28/753047628.db2.gz HAAKINCITSGXAP-MLGOLLRUSA-N 1 2 338.408 0.497 20 30 ECEDLO C=CCn1cccc1C(=O)N1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C[C@@H]1C ZINC000988969839 753091539 /nfs/dbraw/zinc/09/15/39/753091539.db2.gz WUZSQGLAVRTUKA-QWHCGFSZSA-N 1 2 344.419 0.489 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1csc(NC(C)=O)n1 ZINC001126383762 753160030 /nfs/dbraw/zinc/16/00/30/753160030.db2.gz JOTAVPNEHOBFBF-AWEZNQCLSA-N 1 2 326.422 0.634 20 30 ECEDLO CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001008066604 753266235 /nfs/dbraw/zinc/26/62/35/753266235.db2.gz XUFSJMSBKBYYBU-CQSZACIVSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnc(C(F)F)s2)C1 ZINC001051495654 762210043 /nfs/dbraw/zinc/21/00/43/762210043.db2.gz WEOJGPCYONJBTK-IUCAKERBSA-N 1 2 345.375 0.952 20 30 ECEDLO CCCCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)n1 ZINC001051495891 762210406 /nfs/dbraw/zinc/21/04/06/762210406.db2.gz YOGLKIMFVLPRDB-CHWSQXEVSA-N 1 2 335.408 0.889 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)c(F)c1 ZINC001008180215 753430509 /nfs/dbraw/zinc/43/05/09/753430509.db2.gz YKPZWMSDZAZHQA-HUUCEWRRSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)c(F)c1 ZINC001008180215 753430511 /nfs/dbraw/zinc/43/05/11/753430511.db2.gz YKPZWMSDZAZHQA-HUUCEWRRSA-N 1 2 344.390 0.914 20 30 ECEDLO CN1C[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)NC1=O ZINC001008189304 753446768 /nfs/dbraw/zinc/44/67/68/753446768.db2.gz NCTPZJMZRKHXJO-HOTGVXAUSA-N 1 2 341.415 0.662 20 30 ECEDLO CN1C[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)NC1=O ZINC001008189304 753446769 /nfs/dbraw/zinc/44/67/69/753446769.db2.gz NCTPZJMZRKHXJO-HOTGVXAUSA-N 1 2 341.415 0.662 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000982740207 753451198 /nfs/dbraw/zinc/45/11/98/753451198.db2.gz VNORUQULKXRVKZ-CVEARBPZSA-N 1 2 340.427 0.824 20 30 ECEDLO Cn1nnc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001008216139 753474330 /nfs/dbraw/zinc/47/43/30/753474330.db2.gz VKRCSHYRIGFASG-JTQLQIEISA-N 1 2 331.405 0.538 20 30 ECEDLO Cn1nnc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001008216139 753474331 /nfs/dbraw/zinc/47/43/31/753474331.db2.gz VKRCSHYRIGFASG-JTQLQIEISA-N 1 2 331.405 0.538 20 30 ECEDLO C/C=C(/C)C(=O)N1CC[C@H](n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001098648676 753597087 /nfs/dbraw/zinc/59/70/87/753597087.db2.gz CHMVWZYDSMOOCT-ZGGPYJKTSA-N 1 2 331.420 0.757 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)c1 ZINC001008370534 753667532 /nfs/dbraw/zinc/66/75/32/753667532.db2.gz GFDXEHYWWRCUBF-DZGCQCFKSA-N 1 2 345.378 0.459 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)c1 ZINC001008370534 753667533 /nfs/dbraw/zinc/66/75/33/753667533.db2.gz GFDXEHYWWRCUBF-DZGCQCFKSA-N 1 2 345.378 0.459 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)c1 ZINC001008370543 753667584 /nfs/dbraw/zinc/66/75/84/753667584.db2.gz GFDXEHYWWRCUBF-UKRRQHHQSA-N 1 2 345.378 0.459 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)c1 ZINC001008370543 753667585 /nfs/dbraw/zinc/66/75/85/753667585.db2.gz GFDXEHYWWRCUBF-UKRRQHHQSA-N 1 2 345.378 0.459 20 30 ECEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CNC(=O)N1 ZINC001008378444 753678731 /nfs/dbraw/zinc/67/87/31/753678731.db2.gz WTGGEOMSOJDRMS-HZPDHXFCSA-N 1 2 344.390 0.439 20 30 ECEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CNC(=O)N1 ZINC001008378444 753678734 /nfs/dbraw/zinc/67/87/34/753678734.db2.gz WTGGEOMSOJDRMS-HZPDHXFCSA-N 1 2 344.390 0.439 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O)[C@H]1CCOC1 ZINC001083361673 753679525 /nfs/dbraw/zinc/67/95/25/753679525.db2.gz XZKCPBMXOBNIFG-UAGQMJEPSA-N 1 2 348.830 0.889 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O)[C@H]1CCOC1 ZINC001083361673 753679527 /nfs/dbraw/zinc/67/95/27/753679527.db2.gz XZKCPBMXOBNIFG-UAGQMJEPSA-N 1 2 348.830 0.889 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NC3CC3)C2)c1 ZINC001008467868 753770497 /nfs/dbraw/zinc/77/04/97/753770497.db2.gz HCKPCIUVBVIZDG-INIZCTEOSA-N 1 2 326.400 0.536 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+](CC(=O)NC3CC3)C2)c1 ZINC001008467868 753770501 /nfs/dbraw/zinc/77/05/01/753770501.db2.gz HCKPCIUVBVIZDG-INIZCTEOSA-N 1 2 326.400 0.536 20 30 ECEDLO CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@]2(C)C1 ZINC000982822028 753860257 /nfs/dbraw/zinc/86/02/57/753860257.db2.gz XHNSZWJQTVAJBU-BHYGNILZSA-N 1 2 338.473 0.757 20 30 ECEDLO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@]2(C)C1 ZINC000982822028 753860265 /nfs/dbraw/zinc/86/02/65/753860265.db2.gz XHNSZWJQTVAJBU-BHYGNILZSA-N 1 2 338.473 0.757 20 30 ECEDLO CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001105595595 753942399 /nfs/dbraw/zinc/94/23/99/753942399.db2.gz AAPDLSNUUYOUMZ-CHWSQXEVSA-N 1 2 325.376 0.770 20 30 ECEDLO CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001105595595 753942404 /nfs/dbraw/zinc/94/24/04/753942404.db2.gz AAPDLSNUUYOUMZ-CHWSQXEVSA-N 1 2 325.376 0.770 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)/C(C)=C/C)[C@H](OC)C1 ZINC001212107069 753989314 /nfs/dbraw/zinc/98/93/14/753989314.db2.gz NUCCTJLHJKDYOL-RCVIBLRSSA-N 1 2 335.448 0.969 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)/C(C)=C/C)[C@H](OC)C1 ZINC001212107069 753989320 /nfs/dbraw/zinc/98/93/20/753989320.db2.gz NUCCTJLHJKDYOL-RCVIBLRSSA-N 1 2 335.448 0.969 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+]([C@@H]3CCN(C)C3=O)CC2)cn1 ZINC000989512455 754062837 /nfs/dbraw/zinc/06/28/37/754062837.db2.gz KRBYWNIZQHVGRU-MRXNPFEDSA-N 1 2 326.400 0.442 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@H+]([C@@H]3CCN(C)C3=O)CC2)cn1 ZINC000989512455 754062840 /nfs/dbraw/zinc/06/28/40/754062840.db2.gz KRBYWNIZQHVGRU-MRXNPFEDSA-N 1 2 326.400 0.442 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N(C)C)C2)cc1 ZINC001008786907 754117517 /nfs/dbraw/zinc/11/75/17/754117517.db2.gz DXMSAOKSZBGGAI-INIZCTEOSA-N 1 2 343.427 0.981 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N(C)C)C2)cc1 ZINC001008786907 754117522 /nfs/dbraw/zinc/11/75/22/754117522.db2.gz DXMSAOKSZBGGAI-INIZCTEOSA-N 1 2 343.427 0.981 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)nn1 ZINC001008815862 754149553 /nfs/dbraw/zinc/14/95/53/754149553.db2.gz SGHUDJYPJHVIOQ-HNNXBMFYSA-N 1 2 343.435 0.982 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)nn1 ZINC001008815862 754149557 /nfs/dbraw/zinc/14/95/57/754149557.db2.gz SGHUDJYPJHVIOQ-HNNXBMFYSA-N 1 2 343.435 0.982 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)[nH]1 ZINC000983035027 754480425 /nfs/dbraw/zinc/48/04/25/754480425.db2.gz YZHAYMVQWSNXOW-ZDUSSCGKSA-N 1 2 340.387 0.751 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000983068902 754549679 /nfs/dbraw/zinc/54/96/79/754549679.db2.gz XOONZQQDMBFGDL-GFCCVEGCSA-N 1 2 340.387 0.739 20 30 ECEDLO CN(CCN(C)c1cnc(C#N)cn1)C(=O)CCc1[nH+]ccn1C ZINC001105611874 754794249 /nfs/dbraw/zinc/79/42/49/754794249.db2.gz OZTQXAATMXALGP-UHFFFAOYSA-N 1 2 327.392 0.609 20 30 ECEDLO C#CC[C@@H](CO)NC(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000923916965 755200531 /nfs/dbraw/zinc/20/05/31/755200531.db2.gz FLOMFBLIYKPPAI-ROUUACIJSA-N 1 2 345.443 0.879 20 30 ECEDLO C#CC[C@@H](CO)NC(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000923916965 755200533 /nfs/dbraw/zinc/20/05/33/755200533.db2.gz FLOMFBLIYKPPAI-ROUUACIJSA-N 1 2 345.443 0.879 20 30 ECEDLO C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001060039910 755285486 /nfs/dbraw/zinc/28/54/86/755285486.db2.gz LFUVWOLDCBSXJX-CQSZACIVSA-N 1 2 334.420 0.818 20 30 ECEDLO N#Cc1c(Cl)nsc1NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001105883701 762381228 /nfs/dbraw/zinc/38/12/28/762381228.db2.gz XPCUSCRTUJECAR-QMMMGPOBSA-N 1 2 340.796 0.454 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3nonc3C)C2)nn1 ZINC001028854208 755314612 /nfs/dbraw/zinc/31/46/12/755314612.db2.gz DSSCTDJDUQFNES-ZDUSSCGKSA-N 1 2 345.407 0.798 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3nonc3C)C2)nn1 ZINC001028854208 755314616 /nfs/dbraw/zinc/31/46/16/755314616.db2.gz DSSCTDJDUQFNES-ZDUSSCGKSA-N 1 2 345.407 0.798 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)[C@]12C[C@H]1COC2 ZINC001083476114 755602252 /nfs/dbraw/zinc/60/22/52/755602252.db2.gz VAMIUUSQTOVKFG-ZMMAXQRCSA-N 1 2 326.396 0.236 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)[C@]12C[C@H]1COC2 ZINC001083476114 755602257 /nfs/dbraw/zinc/60/22/57/755602257.db2.gz VAMIUUSQTOVKFG-ZMMAXQRCSA-N 1 2 326.396 0.236 20 30 ECEDLO C[C@H](CC(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1)n1cc[nH+]c1 ZINC000990705173 755654062 /nfs/dbraw/zinc/65/40/62/755654062.db2.gz ZAVGFRWRYLMZIA-LLVKDONJSA-N 1 2 326.360 0.675 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](C)n3cccc3)C2)nn1 ZINC001098656683 755691439 /nfs/dbraw/zinc/69/14/39/755691439.db2.gz QWPCMMRATWTAGK-GOEBONIOSA-N 1 2 326.404 0.837 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2Cc3ccccc32)[C@@H](n2ccnn2)C1 ZINC001070012586 790323407 /nfs/dbraw/zinc/32/34/07/790323407.db2.gz DAXLFMAEAUKEQW-KURKYZTESA-N 1 2 335.411 0.983 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2Cc3ccccc32)[C@@H](n2ccnn2)C1 ZINC001070012586 790323418 /nfs/dbraw/zinc/32/34/18/790323418.db2.gz DAXLFMAEAUKEQW-KURKYZTESA-N 1 2 335.411 0.983 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@](C)(O)C3CC3)C2)nn1 ZINC001098659157 755792907 /nfs/dbraw/zinc/79/29/07/755792907.db2.gz MZYRIRCMIXRPEO-WMZOPIPTSA-N 1 2 345.447 0.716 20 30 ECEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1COCCO1 ZINC001010259409 755897908 /nfs/dbraw/zinc/89/79/08/755897908.db2.gz VDNZSDSAGSVOTF-IRXDYDNUSA-N 1 2 332.375 0.783 20 30 ECEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1COCCO1 ZINC001010259409 755897910 /nfs/dbraw/zinc/89/79/10/755897910.db2.gz VDNZSDSAGSVOTF-IRXDYDNUSA-N 1 2 332.375 0.783 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001083526054 755918984 /nfs/dbraw/zinc/91/89/84/755918984.db2.gz ZDBHVTNODSKGCK-ZBFHGGJFSA-N 1 2 346.431 0.070 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@@H]1O ZINC001083526054 755918989 /nfs/dbraw/zinc/91/89/89/755918989.db2.gz ZDBHVTNODSKGCK-ZBFHGGJFSA-N 1 2 346.431 0.070 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)c1 ZINC001010381198 756062886 /nfs/dbraw/zinc/06/28/86/756062886.db2.gz MRPLQBJGPSFFFI-DZGCQCFKSA-N 1 2 330.363 0.666 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)c1 ZINC001010381198 756062892 /nfs/dbraw/zinc/06/28/92/756062892.db2.gz MRPLQBJGPSFFFI-DZGCQCFKSA-N 1 2 330.363 0.666 20 30 ECEDLO C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001010634210 756330523 /nfs/dbraw/zinc/33/05/23/756330523.db2.gz AOFAPNTZMUOQRL-DZGCQCFKSA-N 1 2 343.431 0.949 20 30 ECEDLO C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001010634210 756330528 /nfs/dbraw/zinc/33/05/28/756330528.db2.gz AOFAPNTZMUOQRL-DZGCQCFKSA-N 1 2 343.431 0.949 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001010706872 756425765 /nfs/dbraw/zinc/42/57/65/756425765.db2.gz KJZMLWPNQXJNTF-CYBMUJFWSA-N 1 2 329.404 0.953 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001010706872 756425767 /nfs/dbraw/zinc/42/57/67/756425767.db2.gz KJZMLWPNQXJNTF-CYBMUJFWSA-N 1 2 329.404 0.953 20 30 ECEDLO O=C(C#CC1CC1)N1CCCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001010815735 756559591 /nfs/dbraw/zinc/55/95/91/756559591.db2.gz XYUPMODPRYCMAD-UHFFFAOYSA-N 1 2 326.400 0.817 20 30 ECEDLO Cn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)nn1 ZINC001010850576 756600094 /nfs/dbraw/zinc/60/00/94/756600094.db2.gz KABXEDYTGRVTRX-ZDUSSCGKSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)nn1 ZINC001010850576 756600096 /nfs/dbraw/zinc/60/00/96/756600096.db2.gz KABXEDYTGRVTRX-ZDUSSCGKSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000990887356 756656010 /nfs/dbraw/zinc/65/60/10/756656010.db2.gz KVUYILHITMIXFI-UHFFFAOYSA-N 1 2 326.360 0.193 20 30 ECEDLO CC(C)(C(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1)c1c[nH+]c[nH]1 ZINC001010920563 756670477 /nfs/dbraw/zinc/67/04/77/756670477.db2.gz DGHNCSNFPSHVJY-UHFFFAOYSA-N 1 2 340.387 0.872 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@]2(C)CN(C(=O)Cc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC001010990274 756732863 /nfs/dbraw/zinc/73/28/63/756732863.db2.gz DLZPKVOKPVGRMO-XWIAVFTESA-N 1 2 343.431 0.819 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccncc3)C2)s1 ZINC001076680221 756835818 /nfs/dbraw/zinc/83/58/18/756835818.db2.gz YNVWTICSPYGOAZ-HUUCEWRRSA-N 1 2 328.397 0.990 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccncc3)C2)s1 ZINC001076680221 756835823 /nfs/dbraw/zinc/83/58/23/756835823.db2.gz YNVWTICSPYGOAZ-HUUCEWRRSA-N 1 2 328.397 0.990 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001076716235 756910817 /nfs/dbraw/zinc/91/08/17/756910817.db2.gz HOZDHNLFMSLSAM-INMHGKMJSA-N 1 2 345.399 0.407 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001076716235 756910821 /nfs/dbraw/zinc/91/08/21/756910821.db2.gz HOZDHNLFMSLSAM-INMHGKMJSA-N 1 2 345.399 0.407 20 30 ECEDLO O=C(C#CC1CC1)N1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001011110684 756940537 /nfs/dbraw/zinc/94/05/37/756940537.db2.gz KMDPDXLTVZYOGE-HNNXBMFYSA-N 1 2 326.400 0.530 20 30 ECEDLO Cc1c(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)cnn1C ZINC001076747843 756957555 /nfs/dbraw/zinc/95/75/55/756957555.db2.gz SXWMIYVQQFUXOX-HUUCEWRRSA-N 1 2 345.428 0.637 20 30 ECEDLO Cc1c(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)cnn1C ZINC001076747843 756957560 /nfs/dbraw/zinc/95/75/60/756957560.db2.gz SXWMIYVQQFUXOX-HUUCEWRRSA-N 1 2 345.428 0.637 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)C[C@@H](C)OC)nn2)C1 ZINC001107142928 757013536 /nfs/dbraw/zinc/01/35/36/757013536.db2.gz WJDLVIGBRWOBHA-CYBMUJFWSA-N 1 2 337.424 0.379 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3cnc(C)[nH]3)nn2)C1 ZINC001107146218 757038803 /nfs/dbraw/zinc/03/88/03/757038803.db2.gz BCKAILYNQNEJGJ-UHFFFAOYSA-N 1 2 345.407 0.299 20 30 ECEDLO C[C@H](C#N)C(=O)NCc1cn(C2C[NH+](CCOCC3CC3)C2)nn1 ZINC001107149870 757054179 /nfs/dbraw/zinc/05/41/79/757054179.db2.gz UBDBDIJXSIJLRU-GFCCVEGCSA-N 1 2 332.408 0.337 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC/C=C\CNc1[nH+]cnc2c1cnn2C ZINC001107148578 757082396 /nfs/dbraw/zinc/08/23/96/757082396.db2.gz MJPWTFVHAJWMBS-OGZRUICASA-N 1 2 330.392 0.775 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC/C=C\CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001107148625 757082810 /nfs/dbraw/zinc/08/28/10/757082810.db2.gz NOXAQFBPCLOSLN-XITLMJRVSA-N 1 2 334.424 0.657 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1O)[C@@H]1CCOC1 ZINC001076791890 757131898 /nfs/dbraw/zinc/13/18/98/757131898.db2.gz LJVIJLPCNGYMII-DJIMGWMZSA-N 1 2 332.375 0.375 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1O)[C@@H]1CCOC1 ZINC001076791890 757131904 /nfs/dbraw/zinc/13/19/04/757131904.db2.gz LJVIJLPCNGYMII-DJIMGWMZSA-N 1 2 332.375 0.375 20 30 ECEDLO C=C(Cl)CN1CC(n2cc(CNC(=O)CCc3[nH]cc[nH+]3)nn2)C1 ZINC001107163907 757196894 /nfs/dbraw/zinc/19/68/94/757196894.db2.gz HDRTUMUGCSTCHM-UHFFFAOYSA-N 1 2 349.826 0.859 20 30 ECEDLO Cc1ncc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)[nH]1 ZINC001076812433 757255924 /nfs/dbraw/zinc/25/59/24/757255924.db2.gz HCGPWHDNJODPCM-HZPDHXFCSA-N 1 2 325.372 0.565 20 30 ECEDLO Cc1ncc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)[nH]1 ZINC001076812433 757255930 /nfs/dbraw/zinc/25/59/30/757255930.db2.gz HCGPWHDNJODPCM-HZPDHXFCSA-N 1 2 325.372 0.565 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCc3cncnc3)nn2)C1 ZINC001107185515 757359297 /nfs/dbraw/zinc/35/92/97/757359297.db2.gz WAVNOAMKVTXYDT-UHFFFAOYSA-N 1 2 327.392 0.360 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3cnco3)nn2)C1 ZINC001107186892 757387113 /nfs/dbraw/zinc/38/71/13/757387113.db2.gz FNBNMMIBDLIMIQ-UHFFFAOYSA-N 1 2 332.364 0.255 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)Cc3ccc(F)cn3)nn2)C1 ZINC001107183946 757394008 /nfs/dbraw/zinc/39/40/08/757394008.db2.gz ZWAZEGSUPVKCMP-UHFFFAOYSA-N 1 2 342.378 0.551 20 30 ECEDLO CCc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001076854527 757395801 /nfs/dbraw/zinc/39/58/01/757395801.db2.gz LROKPBQDVODRMO-HZPDHXFCSA-N 1 2 343.387 0.720 20 30 ECEDLO CCc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001076854527 757395809 /nfs/dbraw/zinc/39/58/09/757395809.db2.gz LROKPBQDVODRMO-HZPDHXFCSA-N 1 2 343.387 0.720 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)COCC(F)F)nn2)C1 ZINC001107189920 757427111 /nfs/dbraw/zinc/42/71/11/757427111.db2.gz JBOIBSANSLDDBC-UHFFFAOYSA-N 1 2 329.351 0.609 20 30 ECEDLO Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)s1 ZINC001076897181 757514159 /nfs/dbraw/zinc/51/41/59/757514159.db2.gz IJHXGTNJDDBJBL-ZIAGYGMSSA-N 1 2 331.401 0.626 20 30 ECEDLO Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)s1 ZINC001076897181 757514167 /nfs/dbraw/zinc/51/41/67/757514167.db2.gz IJHXGTNJDDBJBL-ZIAGYGMSSA-N 1 2 331.401 0.626 20 30 ECEDLO O=C(CC1OCCCO1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001076923017 757624249 /nfs/dbraw/zinc/62/42/49/757624249.db2.gz ZKJUTDCZXKZAJL-IAGOWNOFSA-N 1 2 344.411 0.353 20 30 ECEDLO O=C(CC1OCCCO1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001076923017 757624251 /nfs/dbraw/zinc/62/42/51/757624251.db2.gz ZKJUTDCZXKZAJL-IAGOWNOFSA-N 1 2 344.411 0.353 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C[C@H]3CC[C@H](C)O3)nn2)C1 ZINC001107205296 757660590 /nfs/dbraw/zinc/66/05/90/757660590.db2.gz SAGYBECPXUCEKS-XJKSGUPXSA-N 1 2 331.420 0.732 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC000996450940 757714939 /nfs/dbraw/zinc/71/49/39/757714939.db2.gz UQWGKIMQIRQHAH-HOCLYGCPSA-N 1 2 332.404 0.271 20 30 ECEDLO C=CCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)Cn3cc[nH+]c3)C2)CCC1 ZINC001049035021 757749714 /nfs/dbraw/zinc/74/97/14/757749714.db2.gz OQATXWISCIYATQ-GJZGRUSLSA-N 1 2 346.431 0.660 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3nocc3C)nn2)C1 ZINC001107225646 757877801 /nfs/dbraw/zinc/87/78/01/757877801.db2.gz BNHIUKJKUJXYSC-UHFFFAOYSA-N 1 2 346.391 0.564 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)Cc3cnn(CC)c3)nn2)C1 ZINC001107227030 757886267 /nfs/dbraw/zinc/88/62/67/757886267.db2.gz AUHAVLRWRBENOG-UHFFFAOYSA-N 1 2 343.435 0.786 20 30 ECEDLO C[C@@H](CCNC(=O)CCc1c[nH]c[nH+]1)NC(=O)c1c[nH]c(C#N)c1 ZINC001077014747 757923911 /nfs/dbraw/zinc/92/39/11/757923911.db2.gz MABJIWFXZITOAL-NSHDSACASA-N 1 2 328.376 0.867 20 30 ECEDLO C[C@@H](CCNC(=O)CCc1c[nH+]c[nH]1)NC(=O)c1c[nH]c(C#N)c1 ZINC001077014747 757923918 /nfs/dbraw/zinc/92/39/18/757923918.db2.gz MABJIWFXZITOAL-NSHDSACASA-N 1 2 328.376 0.867 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCCC(=O)NCC)nn2)C1 ZINC001107230358 757938342 /nfs/dbraw/zinc/93/83/42/757938342.db2.gz AMEYMHLJZQHEJP-UHFFFAOYSA-N 1 2 346.435 0.081 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](C)Cc3cnn(C)c3)nn2)C1 ZINC001107225215 757939210 /nfs/dbraw/zinc/93/92/10/757939210.db2.gz QQKKIPQHECJBCN-CYBMUJFWSA-N 1 2 343.435 0.549 20 30 ECEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1 ZINC001077016703 757943546 /nfs/dbraw/zinc/94/35/46/757943546.db2.gz YLGUWYAJTCVFDX-BRSBDYLESA-N 1 2 328.412 0.601 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1 ZINC001077016703 757943553 /nfs/dbraw/zinc/94/35/53/757943553.db2.gz YLGUWYAJTCVFDX-BRSBDYLESA-N 1 2 328.412 0.601 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3(C)CC3)C2)nn1 ZINC001098676604 762589254 /nfs/dbraw/zinc/58/92/54/762589254.db2.gz QJJBPVFMMTVSKY-OAHLLOKOSA-N 1 2 331.420 0.591 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c2)C1 ZINC001077041365 758024525 /nfs/dbraw/zinc/02/45/25/758024525.db2.gz LWWMMGSDYYVIKF-HZPDHXFCSA-N 1 2 340.383 0.870 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c2)C1 ZINC001077041365 758024537 /nfs/dbraw/zinc/02/45/37/758024537.db2.gz LWWMMGSDYYVIKF-HZPDHXFCSA-N 1 2 340.383 0.870 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)n(C)n2)C1 ZINC001077058441 758054650 /nfs/dbraw/zinc/05/46/50/758054650.db2.gz LRYRADRWTIQASI-GHMZBOCLSA-N 1 2 330.310 0.237 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)n(C)n2)C1 ZINC001077058441 758054664 /nfs/dbraw/zinc/05/46/64/758054664.db2.gz LRYRADRWTIQASI-GHMZBOCLSA-N 1 2 330.310 0.237 20 30 ECEDLO C[C@@H](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)NC(=O)CSCC#N ZINC001077116268 758225390 /nfs/dbraw/zinc/22/53/90/758225390.db2.gz LWNCMKRIPWWNES-STQMWFEESA-N 1 2 349.460 0.713 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001077116454 758227268 /nfs/dbraw/zinc/22/72/68/758227268.db2.gz QBPCVBNGPUABKU-LSDHHAIUSA-N 1 2 346.431 0.496 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4nnc(C)[nH]4)C[C@@H]3C2)cn1 ZINC001049177713 758232254 /nfs/dbraw/zinc/23/22/54/758232254.db2.gz JZPUIKMVKMLJSI-GASCZTMLSA-N 1 2 336.399 0.693 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4nnc(C)[nH]4)C[C@@H]3C2)cn1 ZINC001049177713 758232262 /nfs/dbraw/zinc/23/22/62/758232262.db2.gz JZPUIKMVKMLJSI-GASCZTMLSA-N 1 2 336.399 0.693 20 30 ECEDLO C[C@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001011669642 758259582 /nfs/dbraw/zinc/25/95/82/758259582.db2.gz RQVCPIBZVZJKJR-XHDPSFHLSA-N 1 2 340.387 0.582 20 30 ECEDLO N#Cc1ccc(NC/C=C/CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)nn1 ZINC001107389334 758415452 /nfs/dbraw/zinc/41/54/52/758415452.db2.gz JBFJKJMUGFTIRL-ZIYVKSGCSA-N 1 2 337.387 0.892 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnc(C)[nH]2)C1=O ZINC001032317056 758511554 /nfs/dbraw/zinc/51/15/54/758511554.db2.gz CHNIUCDEDXYLHI-KCQAQPDRSA-N 1 2 329.404 0.404 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnc(C)[nH]2)C1=O ZINC001032317056 758511592 /nfs/dbraw/zinc/51/15/92/758511592.db2.gz CHNIUCDEDXYLHI-KCQAQPDRSA-N 1 2 329.404 0.404 20 30 ECEDLO Cc1cc(C#N)nc(N2CC=C(CNC(=O)Cc3c[nH]c[nH+]3)CC2)n1 ZINC001127773975 758562235 /nfs/dbraw/zinc/56/22/35/758562235.db2.gz BUJRNXUYLZDWJX-UHFFFAOYSA-N 1 2 337.387 0.875 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C)nn1 ZINC001011857692 758782970 /nfs/dbraw/zinc/78/29/70/758782970.db2.gz VGSRNUJSILFLAR-CHWSQXEVSA-N 1 2 343.391 0.080 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C)cn1 ZINC001011938607 759004353 /nfs/dbraw/zinc/00/43/53/759004353.db2.gz SUSBXUJECACALX-BLLLJJGKSA-N 1 2 337.383 0.748 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1nncn1C ZINC001049734412 759147054 /nfs/dbraw/zinc/14/70/54/759147054.db2.gz DWJDJMVGKWMHTH-WCVJEAGWSA-N 1 2 345.447 0.972 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1nncn1C ZINC001049734412 759147057 /nfs/dbraw/zinc/14/70/57/759147057.db2.gz DWJDJMVGKWMHTH-WCVJEAGWSA-N 1 2 345.447 0.972 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C)nc1 ZINC001012006019 759180429 /nfs/dbraw/zinc/18/04/29/759180429.db2.gz AUWRUTHZYQYZGU-TZMCWYRMSA-N 1 2 337.383 0.748 20 30 ECEDLO C#CCOCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001051687210 762691510 /nfs/dbraw/zinc/69/15/10/762691510.db2.gz VBFGEOURABSJLL-KGLIPLIRSA-N 1 2 332.404 0.345 20 30 ECEDLO CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](OC)C1 ZINC001212130872 759208185 /nfs/dbraw/zinc/20/81/85/759208185.db2.gz FKTGGGPIJMVZCX-NILFDRSVSA-N 1 2 347.419 0.230 20 30 ECEDLO CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](OC)C1 ZINC001212130872 759208189 /nfs/dbraw/zinc/20/81/89/759208189.db2.gz FKTGGGPIJMVZCX-NILFDRSVSA-N 1 2 347.419 0.230 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](OC)C1 ZINC001212131773 759215074 /nfs/dbraw/zinc/21/50/74/759215074.db2.gz UDHXZRKTYMKHRT-KCPJHIHWSA-N 1 2 345.403 0.006 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](OC)C1 ZINC001212131773 759215078 /nfs/dbraw/zinc/21/50/78/759215078.db2.gz UDHXZRKTYMKHRT-KCPJHIHWSA-N 1 2 345.403 0.006 20 30 ECEDLO C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001049831953 759268557 /nfs/dbraw/zinc/26/85/57/759268557.db2.gz RMGXBKUVDHSUPZ-HRCADAONSA-N 1 2 338.473 0.900 20 30 ECEDLO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001049831953 759268563 /nfs/dbraw/zinc/26/85/63/759268563.db2.gz RMGXBKUVDHSUPZ-HRCADAONSA-N 1 2 338.473 0.900 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(OCC3CC3)nc2)C1 ZINC001047639622 759379343 /nfs/dbraw/zinc/37/93/43/759379343.db2.gz ZKMRHVZUSFZZMA-HOTGVXAUSA-N 1 2 329.400 0.621 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(OCC3CC3)nc2)C1 ZINC001047639622 759379351 /nfs/dbraw/zinc/37/93/51/759379351.db2.gz ZKMRHVZUSFZZMA-HOTGVXAUSA-N 1 2 329.400 0.621 20 30 ECEDLO N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001049908305 759391709 /nfs/dbraw/zinc/39/17/09/759391709.db2.gz HNOCLSVMZXBRJI-BRWVUGGUSA-N 1 2 332.448 0.686 20 30 ECEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cccnc2C(N)=O)C1 ZINC001032201237 759566830 /nfs/dbraw/zinc/56/68/30/759566830.db2.gz VBFHBQVRDLYPCD-UHFFFAOYSA-N 1 2 349.394 0.914 20 30 ECEDLO CN1C[C@@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)CCC1=O ZINC001032210134 759689214 /nfs/dbraw/zinc/68/92/14/759689214.db2.gz YBUCTPVSTVIZBX-KRWDZBQOSA-N 1 2 340.427 0.975 20 30 ECEDLO C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001050102938 759705969 /nfs/dbraw/zinc/70/59/69/759705969.db2.gz HZOZTYZDCNADAF-KGLIPLIRSA-N 1 2 349.460 0.883 20 30 ECEDLO COCCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)CC2(C)C)n1 ZINC000995563792 759777559 /nfs/dbraw/zinc/77/75/59/759777559.db2.gz QCJQFJDBSKBBNT-NWDGAFQWSA-N 1 2 335.408 0.745 20 30 ECEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H](C)NC(=O)COC)CC2)C1 ZINC001105709271 759809426 /nfs/dbraw/zinc/80/94/26/759809426.db2.gz COXZKIAPXFQHHA-CYBMUJFWSA-N 1 2 339.436 0.015 20 30 ECEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC001032223932 759936221 /nfs/dbraw/zinc/93/62/21/759936221.db2.gz KMRHNIQUYGRUOL-UHFFFAOYSA-N 1 2 349.394 0.914 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H]([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001050304069 760091191 /nfs/dbraw/zinc/09/11/91/760091191.db2.gz MJDPKCUSTTVOAX-UONOGXRCSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H]([C@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001050304069 760091202 /nfs/dbraw/zinc/09/12/02/760091202.db2.gz MJDPKCUSTTVOAX-UONOGXRCSA-N 1 2 334.420 0.898 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001012500520 760106135 /nfs/dbraw/zinc/10/61/35/760106135.db2.gz JTVXLOJBQITKOR-FZMZJTMJSA-N 1 2 326.360 0.502 20 30 ECEDLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](OC)C1 ZINC001212141385 760221117 /nfs/dbraw/zinc/22/11/17/760221117.db2.gz QYOOZPVRIGUMAK-HUUCEWRRSA-N 1 2 347.419 0.184 20 30 ECEDLO CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](OC)C1 ZINC001212141385 760221124 /nfs/dbraw/zinc/22/11/24/760221124.db2.gz QYOOZPVRIGUMAK-HUUCEWRRSA-N 1 2 347.419 0.184 20 30 ECEDLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001050403582 760232555 /nfs/dbraw/zinc/23/25/55/760232555.db2.gz JTQJXXBQTLPAGV-YPMHNXCESA-N 1 2 340.387 0.819 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@H]2C)n1 ZINC001050450117 760284093 /nfs/dbraw/zinc/28/40/93/760284093.db2.gz WPEZQUWLQCSIOX-DOMZBBRYSA-N 1 2 339.403 0.716 20 30 ECEDLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000945478374 760361195 /nfs/dbraw/zinc/36/11/95/760361195.db2.gz XIYNJDBBHOHOLE-AAEUAGOBSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC000993047348 767958154 /nfs/dbraw/zinc/95/81/54/767958154.db2.gz LKMQJDAZEPVAAK-IIYDPXPESA-N 1 2 329.404 0.809 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC000993047348 767958158 /nfs/dbraw/zinc/95/81/58/767958158.db2.gz LKMQJDAZEPVAAK-IIYDPXPESA-N 1 2 329.404 0.809 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H](C)n3cccn3)nn2)C1 ZINC001107134606 760577046 /nfs/dbraw/zinc/57/70/46/760577046.db2.gz CQXMQYLCEAANHF-ZDUSSCGKSA-N 1 2 329.408 0.785 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001012908423 760805160 /nfs/dbraw/zinc/80/51/60/760805160.db2.gz OPNMVROFGCBDNN-IAQYHMDHSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001012908423 760805173 /nfs/dbraw/zinc/80/51/73/760805173.db2.gz OPNMVROFGCBDNN-IAQYHMDHSA-N 1 2 340.387 0.961 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)Cn3cc[nH+]c3)C2)nc1 ZINC001013050621 761012766 /nfs/dbraw/zinc/01/27/66/761012766.db2.gz SBLSGOSKUWOEKP-UKRRQHHQSA-N 1 2 337.383 0.679 20 30 ECEDLO C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NCC#CC[NH+](C)C ZINC000913519875 761048069 /nfs/dbraw/zinc/04/80/69/761048069.db2.gz SBVIIHOEUFQOQI-ZDUSSCGKSA-N 1 2 340.420 0.917 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2COCC[N@@H+]2CC[C@H]2CCCO2)c[nH]1 ZINC001050880187 761061985 /nfs/dbraw/zinc/06/19/85/761061985.db2.gz NRGZAKWKJASSNB-JKSUJKDBSA-N 1 2 332.404 0.886 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2COCC[N@H+]2CC[C@H]2CCCO2)c[nH]1 ZINC001050880187 761061993 /nfs/dbraw/zinc/06/19/93/761061993.db2.gz NRGZAKWKJASSNB-JKSUJKDBSA-N 1 2 332.404 0.886 20 30 ECEDLO CC#CCN1CCOC[C@H]1CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001050925157 761154118 /nfs/dbraw/zinc/15/41/18/761154118.db2.gz PFCNFEAOXGFGKB-PBHICJAKSA-N 1 2 345.447 0.630 20 30 ECEDLO CC#CCN1CCOC[C@H]1CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001050925157 761154123 /nfs/dbraw/zinc/15/41/23/761154123.db2.gz PFCNFEAOXGFGKB-PBHICJAKSA-N 1 2 345.447 0.630 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CNC(=O)c2ccccc21 ZINC001050954412 761213256 /nfs/dbraw/zinc/21/32/56/761213256.db2.gz AJAQKBRFRQYWFX-PBHICJAKSA-N 1 2 343.427 0.907 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CNC(=O)c2ccccc21 ZINC001050954412 761213259 /nfs/dbraw/zinc/21/32/59/761213259.db2.gz AJAQKBRFRQYWFX-PBHICJAKSA-N 1 2 343.427 0.907 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnc2n[nH]nc2c1 ZINC001050954584 761214750 /nfs/dbraw/zinc/21/47/50/761214750.db2.gz ADTULUGVIBTZNF-ZDUSSCGKSA-N 1 2 330.392 0.750 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnc2n[nH]nc2c1 ZINC001050954584 761214757 /nfs/dbraw/zinc/21/47/57/761214757.db2.gz ADTULUGVIBTZNF-ZDUSSCGKSA-N 1 2 330.392 0.750 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn(C)nc1COC ZINC001050991116 761285457 /nfs/dbraw/zinc/28/54/57/761285457.db2.gz VAPZUZUMOWJQHJ-AWEZNQCLSA-N 1 2 336.436 0.963 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn(C)nc1COC ZINC001050991116 761285463 /nfs/dbraw/zinc/28/54/63/761285463.db2.gz VAPZUZUMOWJQHJ-AWEZNQCLSA-N 1 2 336.436 0.963 20 30 ECEDLO C[C@H](NC(=O)CSCC#N)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001051058677 761411415 /nfs/dbraw/zinc/41/14/15/761411415.db2.gz FEZZOGQUMYSSSA-QWHCGFSZSA-N 1 2 335.433 0.493 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2COCC[N@@H+]2CC[C@H]2CCOC2)c1 ZINC001051106893 761502088 /nfs/dbraw/zinc/50/20/88/761502088.db2.gz QFSVAYBOTZHPEV-FUHWJXTLSA-N 1 2 343.427 0.920 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2COCC[N@H+]2CC[C@H]2CCOC2)c1 ZINC001051106893 761502089 /nfs/dbraw/zinc/50/20/89/761502089.db2.gz QFSVAYBOTZHPEV-FUHWJXTLSA-N 1 2 343.427 0.920 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2COCC[N@@H+]2C[C@H]2CCOC2)c1 ZINC001051108040 761504692 /nfs/dbraw/zinc/50/46/92/761504692.db2.gz XPASMCSYCSIHOM-WBVHZDCISA-N 1 2 329.400 0.530 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2COCC[N@H+]2C[C@H]2CCOC2)c1 ZINC001051108040 761504700 /nfs/dbraw/zinc/50/47/00/761504700.db2.gz XPASMCSYCSIHOM-WBVHZDCISA-N 1 2 329.400 0.530 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]nc1-c1cnn(C)c1 ZINC001051202537 761679976 /nfs/dbraw/zinc/67/99/76/761679976.db2.gz JNMGZIPHVNDLTR-AWEZNQCLSA-N 1 2 344.419 0.817 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]nc1-c1cnn(C)c1 ZINC001051202537 761679979 /nfs/dbraw/zinc/67/99/79/761679979.db2.gz JNMGZIPHVNDLTR-AWEZNQCLSA-N 1 2 344.419 0.817 20 30 ECEDLO C#CCOc1ncccc1C(=O)NC[C@H]1COCC[N@@H+]1CC1CC1 ZINC001051217160 761708311 /nfs/dbraw/zinc/70/83/11/761708311.db2.gz QMIHVYISKFBDJU-HNNXBMFYSA-N 1 2 329.400 0.934 20 30 ECEDLO C#CCOc1ncccc1C(=O)NC[C@H]1COCC[N@H+]1CC1CC1 ZINC001051217160 761708320 /nfs/dbraw/zinc/70/83/20/761708320.db2.gz QMIHVYISKFBDJU-HNNXBMFYSA-N 1 2 329.400 0.934 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc(C(=O)NC)n1 ZINC001051228885 761724145 /nfs/dbraw/zinc/72/41/45/761724145.db2.gz RJGKAONVUGICPF-ZDUSSCGKSA-N 1 2 332.404 0.448 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc(C(=O)NC)n1 ZINC001051228885 761724149 /nfs/dbraw/zinc/72/41/49/761724149.db2.gz RJGKAONVUGICPF-ZDUSSCGKSA-N 1 2 332.404 0.448 20 30 ECEDLO C#CCOCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001051252865 761769618 /nfs/dbraw/zinc/76/96/18/761769618.db2.gz XGPYULHCWIBFDX-HUUCEWRRSA-N 1 2 346.431 0.356 20 30 ECEDLO C=CCOCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001051288184 761830833 /nfs/dbraw/zinc/83/08/33/761830833.db2.gz MKLVSUXJRJNIOX-LSDHHAIUSA-N 1 2 334.420 0.829 20 30 ECEDLO Cc1nc(N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](O)C2)ccc1C#N ZINC001051698984 762725114 /nfs/dbraw/zinc/72/51/14/762725114.db2.gz DUHCMBBAINSPPM-HUUCEWRRSA-N 1 2 340.387 0.214 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(c2ccc(C#N)nc2)C[C@H]1O ZINC001051711331 762763190 /nfs/dbraw/zinc/76/31/90/762763190.db2.gz IIIYSZZRWSOFJA-GOEBONIOSA-N 1 2 340.387 0.283 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)CNc1ccc(C#N)c(C)n1 ZINC001105920574 762773825 /nfs/dbraw/zinc/77/38/25/762773825.db2.gz IYURUIVSJNRCPL-ZDUSSCGKSA-N 1 2 328.376 0.425 20 30 ECEDLO Cc1ccc(C#N)c(N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](O)C2)n1 ZINC001051719059 762790962 /nfs/dbraw/zinc/79/09/62/762790962.db2.gz RAJOIHOTXHDJLS-UONOGXRCSA-N 1 2 340.387 0.283 20 30 ECEDLO Cc1nc(N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](O)C2)ccc1C#N ZINC001051787454 762959830 /nfs/dbraw/zinc/95/98/30/762959830.db2.gz AAJRALNAMAXJGF-CABCVRRESA-N 1 2 340.387 0.283 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@H]2O)C1 ZINC000991773069 763378229 /nfs/dbraw/zinc/37/82/29/763378229.db2.gz UZJQMQGQNDBSMU-LSDHHAIUSA-N 1 2 346.431 0.397 20 30 ECEDLO C[C@@H](CCNC(=O)CCn1cc[nH+]c1)NC(=O)c1c[nH]c(C#N)c1 ZINC001077572108 763421612 /nfs/dbraw/zinc/42/16/12/763421612.db2.gz GRVKCRLMFBIRPU-LBPRGKRZSA-N 1 2 328.376 0.798 20 30 ECEDLO COCC(=O)N1CC[C@H](N2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC001051957115 763447486 /nfs/dbraw/zinc/44/74/86/763447486.db2.gz ZVLXOVUOFOUAOY-SFHVURJKSA-N 1 2 342.443 0.923 20 30 ECEDLO C=CCN1CC[C@H](N2CC[NH+]([C@H]3CCN(C(=O)C(C)C)C3)CC2)C1=O ZINC001051984189 763515723 /nfs/dbraw/zinc/51/57/23/763515723.db2.gz DAHFCIUIBQHGAU-IRXDYDNUSA-N 1 2 348.491 0.648 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCN([C@H]3CCN(C(=O)C(C)C)C3)CC2)C1=O ZINC001051984189 763515729 /nfs/dbraw/zinc/51/57/29/763515729.db2.gz DAHFCIUIBQHGAU-IRXDYDNUSA-N 1 2 348.491 0.648 20 30 ECEDLO CCn1ncc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)n1 ZINC001051998640 763552469 /nfs/dbraw/zinc/55/24/69/763552469.db2.gz WZPUOGZVJJDZDT-HOCLYGCPSA-N 1 2 345.451 0.176 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C2)CC1 ZINC001052010676 763577244 /nfs/dbraw/zinc/57/72/44/763577244.db2.gz CWPSNHZDOSXEED-HOTGVXAUSA-N 1 2 334.464 0.307 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3COCCN3C)C2)CC1 ZINC001052012154 763582305 /nfs/dbraw/zinc/58/23/05/763582305.db2.gz DUWPCSLEWLYADF-IRXDYDNUSA-N 1 2 336.480 0.112 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)CC1 ZINC001052012967 763584049 /nfs/dbraw/zinc/58/40/49/763584049.db2.gz OITXLLFSTLGXEE-INIZCTEOSA-N 1 2 325.416 0.742 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)CO[C@@H]3CCOC3)C2)CC1 ZINC001052025476 763615612 /nfs/dbraw/zinc/61/56/12/763615612.db2.gz FOJOKXLRIPGFHU-IAGOWNOFSA-N 1 2 335.448 0.034 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)c3ccnn3C)C2)CC1 ZINC001052030414 763629218 /nfs/dbraw/zinc/62/92/18/763629218.db2.gz NRKJRENWQOCHHM-HOTGVXAUSA-N 1 2 329.448 0.375 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(CCO)CC2)C1 ZINC001052033848 763637650 /nfs/dbraw/zinc/63/76/50/763637650.db2.gz WCWOUKAVYCPUSZ-AWEZNQCLSA-N 1 2 329.872 0.976 20 30 ECEDLO CC(C)(C)n1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052035124 763640514 /nfs/dbraw/zinc/64/05/14/763640514.db2.gz AROHWYUVFLXUMW-OAHLLOKOSA-N 1 2 344.463 0.994 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc4c([nH]3)CCOC4)C2)CC1 ZINC001052035391 763641889 /nfs/dbraw/zinc/64/18/89/763641889.db2.gz BZEWCBRAWUMGOI-HNNXBMFYSA-N 1 2 343.431 0.443 20 30 ECEDLO CCOc1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)cn1 ZINC001052036067 763646591 /nfs/dbraw/zinc/64/65/91/763646591.db2.gz YTLJTRFSJBXIGY-MRXNPFEDSA-N 1 2 343.431 0.836 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cn(C)nc3C)C2)CC1 ZINC001052037157 763654093 /nfs/dbraw/zinc/65/40/93/763654093.db2.gz FJXFDSXGUFBEJY-GOSISDBHSA-N 1 2 343.475 0.513 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)COc3cc(C)on3)C2)CC1 ZINC001052037588 763654873 /nfs/dbraw/zinc/65/48/73/763654873.db2.gz OAJHDOWAQATBRB-MRXNPFEDSA-N 1 2 346.431 0.604 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCn4cncc4C3)C2)CC1 ZINC001052042905 763672628 /nfs/dbraw/zinc/67/26/28/763672628.db2.gz KACJDOPBLYHFLP-HOTGVXAUSA-N 1 2 342.447 0.188 20 30 ECEDLO C[NH+](C)Cc1cc(C(=O)N2CC[C@H](N3CCN(CC#N)CC3)C2)no1 ZINC001052044072 763677050 /nfs/dbraw/zinc/67/70/50/763677050.db2.gz CDZNQJWBJRYBPI-AWEZNQCLSA-N 1 2 346.435 0.092 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCCn4nccc43)C2)CC1 ZINC001052044981 763681258 /nfs/dbraw/zinc/68/12/58/763681258.db2.gz PFKWIOAICASOAI-SJORKVTESA-N 1 2 341.459 0.612 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ncc(OC)cn3)C2)CC1 ZINC001052049402 763701330 /nfs/dbraw/zinc/70/13/30/763701330.db2.gz LBWPIGWXHFGNOE-AWEZNQCLSA-N 1 2 331.420 0.503 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)CCc3cncnc3)C2)CC1 ZINC001052052032 763714665 /nfs/dbraw/zinc/71/46/65/763714665.db2.gz GCFTVKSJWULEQM-SFHVURJKSA-N 1 2 341.459 0.651 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)c3c[nH]c(=O)n3C)C2)CC1 ZINC001052060463 763740089 /nfs/dbraw/zinc/74/00/89/763740089.db2.gz FFKJTRNXLYKRFA-CQSZACIVSA-N 1 2 333.436 0.534 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCN(C)C3=O)C2)CC1 ZINC001052064882 763753063 /nfs/dbraw/zinc/75/30/63/763753063.db2.gz IJCGDPDXXCLZED-JKSUJKDBSA-N 1 2 334.464 0.259 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCCC(=O)N3)C2)CC1 ZINC001052078729 763790658 /nfs/dbraw/zinc/79/06/58/763790658.db2.gz AGRBIBWXXRHJFC-SJORKVTESA-N 1 2 346.475 0.287 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3nnn(CC)c3CC)C2)CC1 ZINC001052082110 763800808 /nfs/dbraw/zinc/80/08/08/763800808.db2.gz QHKVTAOOLUMCTC-HNNXBMFYSA-N 1 2 344.463 0.326 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3nnn(CC)c3CC)C2)CC1 ZINC001052082110 763800819 /nfs/dbraw/zinc/80/08/19/763800819.db2.gz QHKVTAOOLUMCTC-HNNXBMFYSA-N 1 2 344.463 0.326 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3cn(C)nc3Cl)C2)CC1 ZINC001052082039 763801226 /nfs/dbraw/zinc/80/12/26/763801226.db2.gz IVGJTUTUYCBHDI-OAHLLOKOSA-N 1 2 349.866 0.468 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([NH+]3CCN([C@H]4CCNC4=O)CC3)C2)C1 ZINC001052083097 763804808 /nfs/dbraw/zinc/80/48/08/763804808.db2.gz ZYDGCVRBNWDSIV-CVEARBPZSA-N 1 2 346.475 0.450 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)Cn3cc(Cl)cn3)C2)CC1 ZINC001052087401 763819161 /nfs/dbraw/zinc/81/91/61/763819161.db2.gz VKAYQYAFAZPGPY-INIZCTEOSA-N 1 2 349.866 0.778 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cn3nccc3C)C2)CC1 ZINC001052090058 763826094 /nfs/dbraw/zinc/82/60/94/763826094.db2.gz WSWODHKJPNRXIW-QGZVFWFLSA-N 1 2 329.448 0.433 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)CC1 ZINC001052091928 763832179 /nfs/dbraw/zinc/83/21/79/763832179.db2.gz PCFSBRQIOHWUNI-OKZBNKHCSA-N 1 2 341.459 0.375 20 30 ECEDLO CCc1nc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)c(C)o1 ZINC001052096815 763847513 /nfs/dbraw/zinc/84/75/13/763847513.db2.gz PUMVTFITKYTGEH-AWEZNQCLSA-N 1 2 331.420 0.901 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc4ncccn4n3)C2)CC1 ZINC001052099532 763856960 /nfs/dbraw/zinc/85/69/60/763856960.db2.gz MBDUTKOBDRXACP-HNNXBMFYSA-N 1 2 340.431 0.747 20 30 ECEDLO CCCn1ncc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)c1C ZINC001052100732 763861903 /nfs/dbraw/zinc/86/19/03/763861903.db2.gz HFCQYCXNZNBPMA-MRXNPFEDSA-N 1 2 344.463 0.957 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)CCc3cnccn3)C2)CC1 ZINC001052105647 763877295 /nfs/dbraw/zinc/87/72/95/763877295.db2.gz NCKJQFLYRQQVSX-GOSISDBHSA-N 1 2 341.459 0.651 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCN(CCF)CC3)C2)nc1 ZINC001052107651 763886437 /nfs/dbraw/zinc/88/64/37/763886437.db2.gz GWTQDSPCPSMZFK-INIZCTEOSA-N 1 2 330.407 0.865 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3c(C)n[nH]c3C)C2)CC1 ZINC001052117441 763928077 /nfs/dbraw/zinc/92/80/77/763928077.db2.gz NSCMFCBJWRHQBE-KRWDZBQOSA-N 1 2 343.475 0.811 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3c(C)n[nH]c3C)C2)CC1 ZINC001052117442 763928817 /nfs/dbraw/zinc/92/88/17/763928817.db2.gz NSCMFCBJWRHQBE-QGZVFWFLSA-N 1 2 343.475 0.811 20 30 ECEDLO CCc1noc(C)c1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052117570 763928955 /nfs/dbraw/zinc/92/89/55/763928955.db2.gz SYOBFDBBVGGFEB-CQSZACIVSA-N 1 2 331.420 0.901 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001015174941 764072740 /nfs/dbraw/zinc/07/27/40/764072740.db2.gz FRSZVYMORGOFNI-GFCCVEGCSA-N 1 2 340.811 0.446 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC001015174941 764072746 /nfs/dbraw/zinc/07/27/46/764072746.db2.gz FRSZVYMORGOFNI-GFCCVEGCSA-N 1 2 340.811 0.446 20 30 ECEDLO C=CCOCC(=O)N1C[C@H](C)[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001052220589 764080064 /nfs/dbraw/zinc/08/00/64/764080064.db2.gz KWKQCZWBBINQBQ-GJZGRUSLSA-N 1 2 348.447 0.766 20 30 ECEDLO Cc1cnc(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)cn1 ZINC001047353810 764090183 /nfs/dbraw/zinc/09/01/83/764090183.db2.gz MSEQADQRIVRYBE-HOTGVXAUSA-N 1 2 340.387 0.302 20 30 ECEDLO Cc1cnc(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)cn1 ZINC001047353810 764090187 /nfs/dbraw/zinc/09/01/87/764090187.db2.gz MSEQADQRIVRYBE-HOTGVXAUSA-N 1 2 340.387 0.302 20 30 ECEDLO C=CCOCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1)C2 ZINC001047395962 764206144 /nfs/dbraw/zinc/20/61/44/764206144.db2.gz XXFKWTJNPFEYQG-KKUMJFAQSA-N 1 2 332.404 0.581 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001015260683 764265203 /nfs/dbraw/zinc/26/52/03/764265203.db2.gz LNCVSGRQGMYHMA-FZMZJTMJSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1C(=O)c1cc(C#N)c[nH]1 ZINC001015263692 764276003 /nfs/dbraw/zinc/27/60/03/764276003.db2.gz XEXXEFSBWSTQIN-BXUZGUMPSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1C(=O)c1cc(C#N)c[nH]1 ZINC001015263693 764276448 /nfs/dbraw/zinc/27/64/48/764276448.db2.gz XEXXEFSBWSTQIN-FZMZJTMJSA-N 1 2 340.387 0.961 20 30 ECEDLO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]c(C(F)(F)F)c2C)C1 ZINC001047553694 764677394 /nfs/dbraw/zinc/67/73/94/764677394.db2.gz RTXMYWOIVMAVPP-QWRGUYRKSA-N 1 2 344.337 0.877 20 30 ECEDLO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]c(C(F)(F)F)c2C)C1 ZINC001047553694 764677403 /nfs/dbraw/zinc/67/74/03/764677403.db2.gz RTXMYWOIVMAVPP-QWRGUYRKSA-N 1 2 344.337 0.877 20 30 ECEDLO C=CCn1cc(C(=O)N(C)[C@H]2C[N@H+](Cc3ocnc3C)C[C@@H]2O)nn1 ZINC001047554409 764680807 /nfs/dbraw/zinc/68/08/07/764680807.db2.gz SJONDWYZTSCJEN-KBPBESRZSA-N 1 2 346.391 0.078 20 30 ECEDLO C=CCn1cc(C(=O)N(C)[C@H]2C[N@@H+](Cc3ocnc3C)C[C@@H]2O)nn1 ZINC001047554409 764680810 /nfs/dbraw/zinc/68/08/10/764680810.db2.gz SJONDWYZTSCJEN-KBPBESRZSA-N 1 2 346.391 0.078 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NC[C@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001106079888 764684274 /nfs/dbraw/zinc/68/42/74/764684274.db2.gz FEEPNASJBPWLFG-BZNIZROVSA-N 1 2 332.408 0.855 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](O)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001106080449 764709123 /nfs/dbraw/zinc/70/91/23/764709123.db2.gz NFAGDINKCJDASK-SCLBCKFNSA-N 1 2 347.463 0.956 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](O)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106080449 764709127 /nfs/dbraw/zinc/70/91/27/764709127.db2.gz NFAGDINKCJDASK-SCLBCKFNSA-N 1 2 347.463 0.956 20 30 ECEDLO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001052555521 764749277 /nfs/dbraw/zinc/74/92/77/764749277.db2.gz ZALTVTPAMJZVFO-HIFRSBDPSA-N 1 2 328.416 0.966 20 30 ECEDLO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001052555521 764749286 /nfs/dbraw/zinc/74/92/86/764749286.db2.gz ZALTVTPAMJZVFO-HIFRSBDPSA-N 1 2 328.416 0.966 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)cn2)C[C@H]1OC ZINC001212194000 764759600 /nfs/dbraw/zinc/75/96/00/764759600.db2.gz MESJQTQMDLAPHX-BFYDXBDKSA-N 1 2 334.420 0.428 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)cn2)C[C@H]1OC ZINC001212194000 764759606 /nfs/dbraw/zinc/75/96/06/764759606.db2.gz MESJQTQMDLAPHX-BFYDXBDKSA-N 1 2 334.420 0.428 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc3ccccn3c2F)C1 ZINC001047587327 764789067 /nfs/dbraw/zinc/78/90/67/764789067.db2.gz CGVGOFGHTVRNLI-STQMWFEESA-N 1 2 330.363 0.614 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc3ccccn3c2F)C1 ZINC001047587327 764789073 /nfs/dbraw/zinc/78/90/73/764789073.db2.gz CGVGOFGHTVRNLI-STQMWFEESA-N 1 2 330.363 0.614 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2C[NH+](C[C@H]3CCS(=O)(=O)C3)C2)cn1 ZINC001032137876 764790029 /nfs/dbraw/zinc/79/00/29/764790029.db2.gz DHDRBLGTLIONIM-CYBMUJFWSA-N 1 2 347.440 0.159 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C(F)(F)F)cnn2C)C1 ZINC001047614122 764883840 /nfs/dbraw/zinc/88/38/40/764883840.db2.gz ZXWCCGWDZZSSEF-QWRGUYRKSA-N 1 2 330.310 0.189 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C(F)(F)F)cnn2C)C1 ZINC001047614122 764883847 /nfs/dbraw/zinc/88/38/47/764883847.db2.gz ZXWCCGWDZZSSEF-QWRGUYRKSA-N 1 2 330.310 0.189 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)nc[nH]c3=O)C1 ZINC001047629342 764933009 /nfs/dbraw/zinc/93/30/09/764933009.db2.gz YXDUOWUPCMSXEA-GJZGRUSLSA-N 1 2 326.356 0.086 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)nc[nH]c3=O)C1 ZINC001047629342 764933017 /nfs/dbraw/zinc/93/30/17/764933017.db2.gz YXDUOWUPCMSXEA-GJZGRUSLSA-N 1 2 326.356 0.086 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ncc(F)cn2)C1 ZINC001052727211 765047399 /nfs/dbraw/zinc/04/73/99/765047399.db2.gz IMAKKQMYASPOOY-RAIGVLPGSA-N 1 2 343.366 0.915 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001052814327 765170726 /nfs/dbraw/zinc/17/07/26/765170726.db2.gz MHOYOLQSTRLSBE-HUUCEWRRSA-N 1 2 346.431 0.593 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001052814327 765170729 /nfs/dbraw/zinc/17/07/29/765170729.db2.gz MHOYOLQSTRLSBE-HUUCEWRRSA-N 1 2 346.431 0.593 20 30 ECEDLO N#Cc1ccc(C(=O)NCC2CC(NC(=O)Cn3cc[nH+]c3)C2)[nH]1 ZINC000992038805 765246167 /nfs/dbraw/zinc/24/61/67/765246167.db2.gz OLVUHZROHQEOTK-UHFFFAOYSA-N 1 2 326.360 0.408 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3coc(COC)n3)C2)C1=O ZINC001015917691 765550489 /nfs/dbraw/zinc/55/04/89/765550489.db2.gz HPEZDQUDTMNHID-GXTWGEPZSA-N 1 2 348.403 0.412 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3coc(COC)n3)C2)C1=O ZINC001015917691 765550495 /nfs/dbraw/zinc/55/04/95/765550495.db2.gz HPEZDQUDTMNHID-GXTWGEPZSA-N 1 2 348.403 0.412 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CSCC#N)C1 ZINC001053110010 765591875 /nfs/dbraw/zinc/59/18/75/765591875.db2.gz XBBPOHFUAXWYSO-YPMHNXCESA-N 1 2 349.460 0.728 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015967966 765635488 /nfs/dbraw/zinc/63/54/88/765635488.db2.gz OJGIFHNKYWHJDJ-AWEZNQCLSA-N 1 2 340.387 0.618 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015967966 765635493 /nfs/dbraw/zinc/63/54/93/765635493.db2.gz OJGIFHNKYWHJDJ-AWEZNQCLSA-N 1 2 340.387 0.618 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001015968625 765636958 /nfs/dbraw/zinc/63/69/58/765636958.db2.gz FAXCSBNRGJPNDN-KGLIPLIRSA-N 1 2 344.415 0.681 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001015968625 765636963 /nfs/dbraw/zinc/63/69/63/765636963.db2.gz FAXCSBNRGJPNDN-KGLIPLIRSA-N 1 2 344.415 0.681 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001016016873 765723114 /nfs/dbraw/zinc/72/31/14/765723114.db2.gz OMGVHUYADUCASV-AWEZNQCLSA-N 1 2 342.399 0.130 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001016016873 765723122 /nfs/dbraw/zinc/72/31/22/765723122.db2.gz OMGVHUYADUCASV-AWEZNQCLSA-N 1 2 342.399 0.130 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cc1ccc(C(N)=O)nc1)CCO2 ZINC001053309002 765946097 /nfs/dbraw/zinc/94/60/97/765946097.db2.gz UXEXRRKIIUAZSX-UHFFFAOYSA-N 1 2 344.415 0.212 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](OC)c1cnn(C)c1)CCO2 ZINC001053358396 766028437 /nfs/dbraw/zinc/02/84/37/766028437.db2.gz QCRMRBFVJGMMKJ-HNNXBMFYSA-N 1 2 334.420 0.597 20 30 ECEDLO C=CCN1CC2(C1)CN(C(=O)[C@H]1COCC[N@@H+]1C1CCCC1)CCO2 ZINC001053391024 766069290 /nfs/dbraw/zinc/06/92/90/766069290.db2.gz FCOKVKBJNYBCOQ-QGZVFWFLSA-N 1 2 349.475 0.729 20 30 ECEDLO C=CCN1CC2(C1)CN(C(=O)[C@H]1COCC[N@H+]1C1CCCC1)CCO2 ZINC001053391024 766069298 /nfs/dbraw/zinc/06/92/98/766069298.db2.gz FCOKVKBJNYBCOQ-QGZVFWFLSA-N 1 2 349.475 0.729 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCC[C@H](C(N)=O)C1)CCO2 ZINC001053452719 766159266 /nfs/dbraw/zinc/15/92/66/766159266.db2.gz CBYPBOSCMUNEAW-LSDHHAIUSA-N 1 2 335.448 0.767 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNc1ncccc1C#N ZINC001106122295 766177079 /nfs/dbraw/zinc/17/70/79/766177079.db2.gz XQIGCNAJPGLMCV-BFHYXJOUSA-N 1 2 340.387 0.379 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001016409420 766247611 /nfs/dbraw/zinc/24/76/11/766247611.db2.gz WGHRWPJGGJEIRS-CVEARBPZSA-N 1 2 341.415 0.792 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001016409420 766247614 /nfs/dbraw/zinc/24/76/14/766247614.db2.gz WGHRWPJGGJEIRS-CVEARBPZSA-N 1 2 341.415 0.792 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3C)C2)cc1C#N ZINC001077514705 766251335 /nfs/dbraw/zinc/25/13/35/766251335.db2.gz XNGCQNSFKBPVRD-RAEVTNRLSA-N 1 2 329.400 0.884 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3C)C2)cc1C#N ZINC001077514705 766251337 /nfs/dbraw/zinc/25/13/37/766251337.db2.gz XNGCQNSFKBPVRD-RAEVTNRLSA-N 1 2 329.400 0.884 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3COC(=O)N3)C2)c(F)c1 ZINC001031648128 766335353 /nfs/dbraw/zinc/33/53/53/766335353.db2.gz WQERSKRPJQJQKQ-CQSZACIVSA-N 1 2 332.335 0.354 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnc3n[nH]nc3c1)O2 ZINC001053611305 766431900 /nfs/dbraw/zinc/43/19/00/766431900.db2.gz ONZFHLLUVFTJCW-ZDUSSCGKSA-N 1 2 342.403 0.892 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnn3ncccc13)O2 ZINC001053611795 766432765 /nfs/dbraw/zinc/43/27/65/766432765.db2.gz ZACGORPAHLANFZ-CYBMUJFWSA-N 1 2 327.388 0.879 20 30 ECEDLO C=C1CC(C)(C(=O)NC2C[NH+](C[C@H]3CCN(S(C)(=O)=O)C3)C2)C1 ZINC001030924566 766457137 /nfs/dbraw/zinc/45/71/37/766457137.db2.gz SURHEEZHPHXCCE-CYBMUJFWSA-N 1 2 341.477 0.425 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(=O)n(C)c1)O2 ZINC001053622434 766460691 /nfs/dbraw/zinc/46/06/91/766460691.db2.gz WZIWNQSEURABIC-OAHLLOKOSA-N 1 2 331.416 0.925 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(OC)n(C)n1)O2 ZINC001053626473 766468753 /nfs/dbraw/zinc/46/87/53/766468753.db2.gz XEDBGRLPLHMBCF-ZDUSSCGKSA-N 1 2 334.420 0.968 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccnc3n[nH]nc31)O2 ZINC001053630221 766478335 /nfs/dbraw/zinc/47/83/35/766478335.db2.gz HZGAUMCRGARCPP-LBPRGKRZSA-N 1 2 342.403 0.892 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccnc3c1nnn3C)O2 ZINC001053654312 766520726 /nfs/dbraw/zinc/52/07/26/766520726.db2.gz IQDWNQVXYUMEHI-LBPRGKRZSA-N 1 2 342.403 0.513 20 30 ECEDLO CC#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)O2 ZINC001053660463 766530914 /nfs/dbraw/zinc/53/09/14/766530914.db2.gz KOEGGSBFTKTHAE-ARFHVFGLSA-N 1 2 342.443 0.897 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCc3nnnn3CC1)O2 ZINC001053664309 766538206 /nfs/dbraw/zinc/53/82/06/766538206.db2.gz QQMIIFYRLYQJJT-ZIAGYGMSSA-N 1 2 346.435 0.161 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c(C)c[nH]c1CC(N)=O)O2 ZINC001053666226 766541948 /nfs/dbraw/zinc/54/19/48/766541948.db2.gz BMWVFIVNWKWTBV-CYBMUJFWSA-N 1 2 346.431 0.500 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(=O)n(CC)n1)O2 ZINC001053681360 766571923 /nfs/dbraw/zinc/57/19/23/766571923.db2.gz JCEWPAKRBOOCRV-CQSZACIVSA-N 1 2 346.431 0.803 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc3ncccn3n1)O2 ZINC001053684866 766582762 /nfs/dbraw/zinc/58/27/62/766582762.db2.gz XMTUKRPOGCWCQD-ZDUSSCGKSA-N 1 2 327.388 0.879 20 30 ECEDLO C[C@H](CC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1)n1cc[nH+]c1 ZINC001106132260 766609106 /nfs/dbraw/zinc/60/91/06/766609106.db2.gz XBEJBQIPUGPLJR-YPMHNXCESA-N 1 2 329.364 0.085 20 30 ECEDLO Cc1cnc(C[N@H+]2CC[C@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)nc1 ZINC001046011333 766635635 /nfs/dbraw/zinc/63/56/35/766635635.db2.gz BWIFALACOLETMU-HOTGVXAUSA-N 1 2 342.447 0.663 20 30 ECEDLO Cc1cnc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)nc1 ZINC001046011333 766635639 /nfs/dbraw/zinc/63/56/39/766635639.db2.gz BWIFALACOLETMU-HOTGVXAUSA-N 1 2 342.447 0.663 20 30 ECEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046029797 766695479 /nfs/dbraw/zinc/69/54/79/766695479.db2.gz BFKPYSNCZYBFIV-IKGGRYGDSA-N 1 2 334.464 0.790 20 30 ECEDLO CC(C)Cn1ccc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)n1 ZINC001046034973 766718384 /nfs/dbraw/zinc/71/83/84/766718384.db2.gz ZZKZZCBZLTURLB-MRXNPFEDSA-N 1 2 344.463 0.895 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C3(C)CC(=C)C3)[C@@H](O)C2)C1=O ZINC001083763623 766723207 /nfs/dbraw/zinc/72/32/07/766723207.db2.gz TULHQCOBLLGUPW-KFWWJZLASA-N 1 2 333.432 0.291 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C3(C)CC(=C)C3)[C@@H](O)C2)C1=O ZINC001083763623 766723213 /nfs/dbraw/zinc/72/32/13/766723213.db2.gz TULHQCOBLLGUPW-KFWWJZLASA-N 1 2 333.432 0.291 20 30 ECEDLO COc1cncc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)c1C ZINC001046038033 766737182 /nfs/dbraw/zinc/73/71/82/766737182.db2.gz GFAQJIYSJNUOGI-OAHLLOKOSA-N 1 2 343.431 0.754 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3CCc4cncn4C3)CC2)C1 ZINC001046040188 766744806 /nfs/dbraw/zinc/74/48/06/766744806.db2.gz GGTSRQQYAZTMTL-WBVHZDCISA-N 1 2 342.447 0.188 20 30 ECEDLO CCCc1n[nH]cc1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046040725 766750059 /nfs/dbraw/zinc/75/00/59/766750059.db2.gz HYKGOIBTIQZWSD-AWEZNQCLSA-N 1 2 330.436 0.718 20 30 ECEDLO C[C@H](C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1)c1cncnc1 ZINC001046054064 766799415 /nfs/dbraw/zinc/79/94/15/766799415.db2.gz HXHOBZLRBLAYEC-GOEBONIOSA-N 1 2 328.420 0.322 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnn(CCOC)c1C)CO2 ZINC001053800689 766882311 /nfs/dbraw/zinc/88/23/11/766882311.db2.gz VNXSTKHQKHXIOZ-OAHLLOKOSA-N 1 2 348.447 0.987 20 30 ECEDLO Cc1nc(NC[C@@H](O)CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)ccc1C#N ZINC001106135173 766899837 /nfs/dbraw/zinc/89/98/37/766899837.db2.gz NXEOEBUQSDMTRN-IAQYHMDHSA-N 1 2 342.403 0.753 20 30 ECEDLO Cc1nc(NC[C@@H](O)CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)ccc1C#N ZINC001106135173 766899842 /nfs/dbraw/zinc/89/98/42/766899842.db2.gz NXEOEBUQSDMTRN-IAQYHMDHSA-N 1 2 342.403 0.753 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC(OC2CN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000994822981 766900883 /nfs/dbraw/zinc/90/08/83/766900883.db2.gz UEDJOVCFCIMSLF-LBPRGKRZSA-N 1 2 345.403 0.330 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cncc3[nH]cnc31)CO2 ZINC001053812780 766907860 /nfs/dbraw/zinc/90/78/60/766907860.db2.gz HAGDDZSAPLQXDJ-LBPRGKRZSA-N 1 2 325.372 0.554 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCN(C(=O)CC)C1)CO2 ZINC001053813322 766909259 /nfs/dbraw/zinc/90/92/59/766909259.db2.gz PIPXRGBOAZWQDC-HOTGVXAUSA-N 1 2 347.459 0.618 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc3n[nH]nc31)CO2 ZINC001053814056 766910356 /nfs/dbraw/zinc/91/03/56/766910356.db2.gz GRSXHJANHKNPBA-GFCCVEGCSA-N 1 2 325.372 0.554 20 30 ECEDLO CO[C@@H](C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1)C1CCCC1 ZINC001046081153 766918539 /nfs/dbraw/zinc/91/85/39/766918539.db2.gz WBXHVGFDBWENQK-DLBZAZTESA-N 1 2 334.464 0.934 20 30 ECEDLO C[C@H](C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1)N1CCCCC1=O ZINC001046086186 766928314 /nfs/dbraw/zinc/92/83/14/766928314.db2.gz MYLLUIUIXFGBKP-CVEARBPZSA-N 1 2 347.463 0.129 20 30 ECEDLO CCc1cc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)nn1C ZINC001046087592 766930077 /nfs/dbraw/zinc/93/00/77/766930077.db2.gz UGLSSZDKEZHLRH-HNNXBMFYSA-N 1 2 330.436 0.338 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C3CC3)n(C)n1)CO2 ZINC001053822332 766940594 /nfs/dbraw/zinc/94/05/94/766940594.db2.gz LAMOECZOUYYIEL-AWEZNQCLSA-N 1 2 328.416 0.894 20 30 ECEDLO CC[C@H](F)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(=O)NCC#N ZINC001099176610 766955470 /nfs/dbraw/zinc/95/54/70/766955470.db2.gz QSOZZCLRUUNIGC-OLZOCXBDSA-N 1 2 326.416 0.981 20 30 ECEDLO CC[C@H](F)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC(=O)NCC#N ZINC001099176610 766955472 /nfs/dbraw/zinc/95/54/72/766955472.db2.gz QSOZZCLRUUNIGC-OLZOCXBDSA-N 1 2 326.416 0.981 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1nc(OC)cc(OC)n1)CO2 ZINC001053846964 767005079 /nfs/dbraw/zinc/00/50/79/767005079.db2.gz UHGXYMAKAZQVFI-LBPRGKRZSA-N 1 2 348.403 0.643 20 30 ECEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCCNC1=O ZINC001031744703 767016158 /nfs/dbraw/zinc/01/61/58/767016158.db2.gz OBDQSGSUTDNPJW-QGZVFWFLSA-N 1 2 343.402 0.751 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3nccn3C1)CO2 ZINC001053853006 767024057 /nfs/dbraw/zinc/02/40/57/767024057.db2.gz VLZBVUPBXWJVAY-GJZGRUSLSA-N 1 2 330.432 0.981 20 30 ECEDLO C=CCOCC(=O)NCC1=CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001127573954 767033041 /nfs/dbraw/zinc/03/30/41/767033041.db2.gz MEPIIYKMLCJPIM-UHFFFAOYSA-N 1 2 342.403 0.819 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn3cccnc3n1)CO2 ZINC001053858158 767045879 /nfs/dbraw/zinc/04/58/79/767045879.db2.gz ZQDGDGYTEPNTJB-CYBMUJFWSA-N 1 2 325.372 0.326 20 30 ECEDLO C[C@@H](C#N)C(=O)NCC1=CCN(c2ncnc3c2C[N@H+](C)CC3)CC1 ZINC001127583100 767095639 /nfs/dbraw/zinc/09/56/39/767095639.db2.gz YTTYYYMDDBRJPJ-ZDUSSCGKSA-N 1 2 340.431 0.877 20 30 ECEDLO C[C@@H](C#N)C(=O)NCC1=CCN(c2ncnc3c2C[N@@H+](C)CC3)CC1 ZINC001127583100 767095645 /nfs/dbraw/zinc/09/56/45/767095645.db2.gz YTTYYYMDDBRJPJ-ZDUSSCGKSA-N 1 2 340.431 0.877 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccnn1C)CO2 ZINC001053879406 767127297 /nfs/dbraw/zinc/12/72/97/767127297.db2.gz PUNUWZBCYAFVBU-RRFJBIMHSA-N 1 2 328.416 0.506 20 30 ECEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@@H]3CCCNC3=O)C2)c1 ZINC001031749054 767142461 /nfs/dbraw/zinc/14/24/61/767142461.db2.gz OLCHBEJBNHMBPU-OAHLLOKOSA-N 1 2 344.390 0.772 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1c(C)c(C)nn(C)c1=O)CO2 ZINC001053888181 767216441 /nfs/dbraw/zinc/21/64/41/767216441.db2.gz BLYFAHFHOAQRPA-CQSZACIVSA-N 1 2 346.431 0.546 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC(C)(C)CC)[C@H](OC)C1 ZINC001212329895 767227443 /nfs/dbraw/zinc/22/74/43/767227443.db2.gz HZHJCPOEKNWXKR-RBSFLKMASA-N 1 2 337.464 0.766 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC(C)(C)CC)[C@H](OC)C1 ZINC001212329895 767227446 /nfs/dbraw/zinc/22/74/46/767227446.db2.gz HZHJCPOEKNWXKR-RBSFLKMASA-N 1 2 337.464 0.766 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001046585670 767335631 /nfs/dbraw/zinc/33/56/31/767335631.db2.gz IAXKWZJDFMZTEO-SKDRFNHKSA-N 1 2 331.214 0.157 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001046585670 767335637 /nfs/dbraw/zinc/33/56/37/767335637.db2.gz IAXKWZJDFMZTEO-SKDRFNHKSA-N 1 2 331.214 0.157 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1nn(C)c3c1CCCC3)CO2 ZINC001053933970 767394824 /nfs/dbraw/zinc/39/48/24/767394824.db2.gz BWIYQCFSCYODAU-AWEZNQCLSA-N 1 2 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/nfs/dbraw/zinc/34/34/34/783343434.db2.gz ZVUWNBPZFGHLFJ-KRWDZBQOSA-N 1 2 334.420 0.709 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)c[nH+]1 ZINC001040768543 783398090 /nfs/dbraw/zinc/39/80/90/783398090.db2.gz CTAYZZFOUKFCPS-YVEFUNNKSA-N 1 2 347.419 0.166 20 30 ECEDLO C=C1CCC(C(=O)NC[C@]2(O)CCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001040805793 783474724 /nfs/dbraw/zinc/47/47/24/783474724.db2.gz BGYSOOBQCHNYPK-GOSISDBHSA-N 1 2 346.431 0.709 20 30 ECEDLO C=CCCC1(C(=O)NC[C@@]2(O)CCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001040813162 783489130 /nfs/dbraw/zinc/48/91/30/783489130.db2.gz NVSVUHPZWYZCRD-SFHVURJKSA-N 1 2 346.431 0.778 20 30 ECEDLO C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001070232285 783707320 /nfs/dbraw/zinc/70/73/20/783707320.db2.gz GIBGDGIFMAPREN-CHWSQXEVSA-N 1 2 347.419 0.530 20 30 ECEDLO C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCOCC1 ZINC001070232285 783707324 /nfs/dbraw/zinc/70/73/24/783707324.db2.gz GIBGDGIFMAPREN-CHWSQXEVSA-N 1 2 347.419 0.530 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)c2cn(C)nc2C)C1=O ZINC001038111621 783865918 /nfs/dbraw/zinc/86/59/18/783865918.db2.gz BRQSVJSZYKZQRW-DZGCQCFKSA-N 1 2 331.420 0.320 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)c2cn(C)nc2C)C1=O ZINC001038111621 783865928 /nfs/dbraw/zinc/86/59/28/783865928.db2.gz BRQSVJSZYKZQRW-DZGCQCFKSA-N 1 2 331.420 0.320 20 30 ECEDLO Cc1csc(=O)n1CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038145874 783916267 /nfs/dbraw/zinc/91/62/67/783916267.db2.gz ORSPKFWPDYZBOS-CYBMUJFWSA-N 1 2 345.428 0.922 20 30 ECEDLO Cc1csc(=O)n1CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001038145874 783916271 /nfs/dbraw/zinc/91/62/71/783916271.db2.gz ORSPKFWPDYZBOS-CYBMUJFWSA-N 1 2 345.428 0.922 20 30 ECEDLO CC(C)N1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)C1=O ZINC001038169400 783943769 /nfs/dbraw/zinc/94/37/69/783943769.db2.gz UQFMCEMHYGQOCD-CABCVRRESA-N 1 2 329.404 0.700 20 30 ECEDLO CC(C)N1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)C1=O ZINC001038169400 783943775 /nfs/dbraw/zinc/94/37/75/783943775.db2.gz UQFMCEMHYGQOCD-CABCVRRESA-N 1 2 329.404 0.700 20 30 ECEDLO CN1CCOC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001038176562 783951782 /nfs/dbraw/zinc/95/17/82/783951782.db2.gz AQWCDPSBMNQFST-MSOLQXFVSA-N 1 2 327.428 0.559 20 30 ECEDLO CN1CCOC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001038176562 783951787 /nfs/dbraw/zinc/95/17/87/783951787.db2.gz AQWCDPSBMNQFST-MSOLQXFVSA-N 1 2 327.428 0.559 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1cnsn1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442611 784085370 /nfs/dbraw/zinc/08/53/70/784085370.db2.gz KTHCGPLRENLWOA-LLVKDONJSA-N 1 2 343.416 0.139 20 30 ECEDLO CC#CC[NH+]1CC2(C1)CN(C(=O)C#CC1CC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070444050 784091641 /nfs/dbraw/zinc/09/16/41/784091641.db2.gz GCUTXPLBLDXRQP-INIZCTEOSA-N 1 2 337.427 0.778 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1cc(F)c[nH]1)C[C@H]2c1nnc(C)[nH]1 ZINC001070445992 784099152 /nfs/dbraw/zinc/09/91/52/784099152.db2.gz PERIGIJWWGSPIS-ZDUSSCGKSA-N 1 2 342.378 0.755 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1c[nH]nc1C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070447111 784101337 /nfs/dbraw/zinc/10/13/37/784101337.db2.gz CDGZLBFVUKQXTF-CQSZACIVSA-N 1 2 339.403 0.319 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC001070912075 784101844 /nfs/dbraw/zinc/10/18/44/784101844.db2.gz SXKXEGHDQFMUEC-MCIONIFRSA-N 1 2 337.420 0.439 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC001070912075 784101848 /nfs/dbraw/zinc/10/18/48/784101848.db2.gz SXKXEGHDQFMUEC-MCIONIFRSA-N 1 2 337.420 0.439 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC2(O)CCC2)C1 ZINC001070911619 784102044 /nfs/dbraw/zinc/10/20/44/784102044.db2.gz GILHVSGJKGJWNK-KFWWJZLASA-N 1 2 349.431 0.583 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC2(O)CCC2)C1 ZINC001070911619 784102048 /nfs/dbraw/zinc/10/20/48/784102048.db2.gz GILHVSGJKGJWNK-KFWWJZLASA-N 1 2 349.431 0.583 20 30 ECEDLO C=CCOCCCC(=O)N[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001070934324 784151360 /nfs/dbraw/zinc/15/13/60/784151360.db2.gz ZVLUDPCNKBZOCS-OAHLLOKOSA-N 1 2 334.420 0.973 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccnn2CCC)CC1 ZINC001070968118 784259829 /nfs/dbraw/zinc/25/98/29/784259829.db2.gz OYYPGRHFXKCIOC-UHFFFAOYSA-N 1 2 345.447 0.581 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccnn2CCC)CC1 ZINC001070968118 784259836 /nfs/dbraw/zinc/25/98/36/784259836.db2.gz OYYPGRHFXKCIOC-UHFFFAOYSA-N 1 2 345.447 0.581 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cccc(CC)n2)CC1 ZINC001070971463 784274004 /nfs/dbraw/zinc/27/40/04/784274004.db2.gz AKTWBBYIQBGTRR-UHFFFAOYSA-N 1 2 342.443 0.931 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cccc(CC)n2)CC1 ZINC001070971463 784274013 /nfs/dbraw/zinc/27/40/13/784274013.db2.gz AKTWBBYIQBGTRR-UHFFFAOYSA-N 1 2 342.443 0.931 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccc(N(C)C)nc2)CC1 ZINC001070976939 784293877 /nfs/dbraw/zinc/29/38/77/784293877.db2.gz WGPWDIXSOINKEJ-UHFFFAOYSA-N 1 2 345.447 0.598 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)c2ccc(N(C)C)nc2)CC1 ZINC001070976939 784293887 /nfs/dbraw/zinc/29/38/87/784293887.db2.gz WGPWDIXSOINKEJ-UHFFFAOYSA-N 1 2 345.447 0.598 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001070981365 784311248 /nfs/dbraw/zinc/31/12/48/784311248.db2.gz WLHMSRUGTMKRCR-OCABDXPQSA-N 1 2 347.459 0.636 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001070981365 784311257 /nfs/dbraw/zinc/31/12/57/784311257.db2.gz WLHMSRUGTMKRCR-OCABDXPQSA-N 1 2 347.459 0.636 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2ccnc(C)n2)CC1 ZINC001070981677 784312291 /nfs/dbraw/zinc/31/22/91/784312291.db2.gz MQHLUANZKFDLIC-UHFFFAOYSA-N 1 2 345.447 0.554 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCc2ccnc(C)n2)CC1 ZINC001070981677 784312298 /nfs/dbraw/zinc/31/22/98/784312298.db2.gz MQHLUANZKFDLIC-UHFFFAOYSA-N 1 2 345.447 0.554 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)CC1 ZINC001070983049 784317153 /nfs/dbraw/zinc/31/71/53/784317153.db2.gz ZYKCLVFJYZDXCY-WBVHZDCISA-N 1 2 335.448 0.638 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)CC1 ZINC001070983049 784317164 /nfs/dbraw/zinc/31/71/64/784317164.db2.gz ZYKCLVFJYZDXCY-WBVHZDCISA-N 1 2 335.448 0.638 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2cn(C)nc2OC)CC1 ZINC001070983842 784318469 /nfs/dbraw/zinc/31/84/69/784318469.db2.gz IRTSXNCZCIMINX-UHFFFAOYSA-N 1 2 349.435 0.269 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2cn(C)nc2OC)CC1 ZINC001070983842 784318474 /nfs/dbraw/zinc/31/84/74/784318474.db2.gz IRTSXNCZCIMINX-UHFFFAOYSA-N 1 2 349.435 0.269 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2ccccn2)CC1 ZINC001070985672 784325867 /nfs/dbraw/zinc/32/58/67/784325867.db2.gz RJDNGNPSEDQWEB-UHFFFAOYSA-N 1 2 330.432 0.851 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCc2ccccn2)CC1 ZINC001070985672 784325872 /nfs/dbraw/zinc/32/58/72/784325872.db2.gz RJDNGNPSEDQWEB-UHFFFAOYSA-N 1 2 330.432 0.851 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)c2cncnc2)CC1 ZINC001070991431 784341734 /nfs/dbraw/zinc/34/17/34/784341734.db2.gz RKJXHHGIMRPSCA-HNNXBMFYSA-N 1 2 345.447 0.807 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)c2cncnc2)CC1 ZINC001070991431 784341738 /nfs/dbraw/zinc/34/17/38/784341738.db2.gz RKJXHHGIMRPSCA-HNNXBMFYSA-N 1 2 345.447 0.807 20 30 ECEDLO C#CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001070997505 784359235 /nfs/dbraw/zinc/35/92/35/784359235.db2.gz NHKXQPHXMZKZNX-CQSZACIVSA-N 1 2 343.431 0.113 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2Cc3ccncc3C2)CC1 ZINC001070999899 784367561 /nfs/dbraw/zinc/36/75/61/784367561.db2.gz FFUWCPDRWFORHC-MRXNPFEDSA-N 1 2 342.443 0.633 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2Cc3ccncc3C2)CC1 ZINC001070999899 784367573 /nfs/dbraw/zinc/36/75/73/784367573.db2.gz FFUWCPDRWFORHC-MRXNPFEDSA-N 1 2 342.443 0.633 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(C)nn2CC)CC1 ZINC001071003064 784378340 /nfs/dbraw/zinc/37/83/40/784378340.db2.gz RFNXBKXGMUUAMZ-UHFFFAOYSA-N 1 2 345.447 0.499 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C)nn2CC)CC1 ZINC001071003064 784378346 /nfs/dbraw/zinc/37/83/46/784378346.db2.gz RFNXBKXGMUUAMZ-UHFFFAOYSA-N 1 2 345.447 0.499 20 30 ECEDLO C#CCN1CCNC(=O)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001071004416 784380289 /nfs/dbraw/zinc/38/02/89/784380289.db2.gz FEWNSPPWWSUURC-HNNXBMFYSA-N 1 2 331.420 0.118 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccc3cccnn32)CC1 ZINC001071005633 784385785 /nfs/dbraw/zinc/38/57/85/784385785.db2.gz BDUJYDAPNJIIGI-UHFFFAOYSA-N 1 2 341.415 0.784 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)c2ccc3cccnn32)CC1 ZINC001071005633 784385793 /nfs/dbraw/zinc/38/57/93/784385793.db2.gz BDUJYDAPNJIIGI-UHFFFAOYSA-N 1 2 341.415 0.784 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC(=O)NCC[N@@H+](CC(=C)C)CC2)nn1 ZINC001071007007 784390366 /nfs/dbraw/zinc/39/03/66/784390366.db2.gz DAXFHZZLKGYVKT-UHFFFAOYSA-N 1 2 346.435 0.304 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC(=O)NCC[N@H+](CC(=C)C)CC2)nn1 ZINC001071007007 784390374 /nfs/dbraw/zinc/39/03/74/784390374.db2.gz DAXFHZZLKGYVKT-UHFFFAOYSA-N 1 2 346.435 0.304 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2nc[nH]n2)n1 ZINC001070605471 784426925 /nfs/dbraw/zinc/42/69/25/784426925.db2.gz OQUCVGNXJMIFDD-QWHCGFSZSA-N 1 2 343.391 0.366 20 30 ECEDLO CC#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)c2nc[nH]n2)n1 ZINC001070605471 784426932 /nfs/dbraw/zinc/42/69/32/784426932.db2.gz OQUCVGNXJMIFDD-QWHCGFSZSA-N 1 2 343.391 0.366 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2COc3ccccc32)CC1 ZINC001071025358 784452833 /nfs/dbraw/zinc/45/28/33/784452833.db2.gz CNAQKKGDTOAWJO-INIZCTEOSA-N 1 2 343.427 0.999 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2COc3ccccc32)CC1 ZINC001071025358 784452835 /nfs/dbraw/zinc/45/28/35/784452835.db2.gz CNAQKKGDTOAWJO-INIZCTEOSA-N 1 2 343.427 0.999 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)COC2CCCC2)C[C@H]1NCC#N ZINC001070626228 784455506 /nfs/dbraw/zinc/45/55/06/784455506.db2.gz UIRCFVGKKZYXOB-HUUCEWRRSA-N 1 2 331.420 0.787 20 30 ECEDLO C[C@@H](C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1)c1cnn(C)c1 ZINC001070725134 784600276 /nfs/dbraw/zinc/60/02/76/784600276.db2.gz UWNXDBSTAPHASH-BPLDGKMQSA-N 1 2 341.419 0.365 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001070730400 784615827 /nfs/dbraw/zinc/61/58/27/784615827.db2.gz FSPDKISGRJEIGN-UONOGXRCSA-N 1 2 332.404 0.108 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)nn1)C[C@H](C)O2 ZINC001071164755 784637473 /nfs/dbraw/zinc/63/74/73/784637473.db2.gz RZTQUOPMMVZEEP-SWLSCSKDSA-N 1 2 339.827 0.873 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)nn1)C[C@H](C)O2 ZINC001071164755 784637477 /nfs/dbraw/zinc/63/74/77/784637477.db2.gz RZTQUOPMMVZEEP-SWLSCSKDSA-N 1 2 339.827 0.873 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001070888256 784793630 /nfs/dbraw/zinc/79/36/30/784793630.db2.gz KIGBYSLBZDWJKJ-OAHLLOKOSA-N 1 2 332.404 0.489 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001070888256 784793638 /nfs/dbraw/zinc/79/36/38/784793638.db2.gz KIGBYSLBZDWJKJ-OAHLLOKOSA-N 1 2 332.404 0.489 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)C[C@@H]3CCCO3)C2)C(=O)C1 ZINC001071252907 784841265 /nfs/dbraw/zinc/84/12/65/784841265.db2.gz AWVLDVKBRZYDQC-SJORKVTESA-N 1 2 347.459 0.714 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)C[C@@H]3CCCO3)C2)C(=O)C1 ZINC001071252907 784841275 /nfs/dbraw/zinc/84/12/75/784841275.db2.gz AWVLDVKBRZYDQC-SJORKVTESA-N 1 2 347.459 0.714 20 30 ECEDLO N#CCN1CCN([C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C(=O)C1 ZINC001071263794 784880021 /nfs/dbraw/zinc/88/00/21/784880021.db2.gz GCEFGVLURGMCEQ-CQSZACIVSA-N 1 2 344.419 0.001 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3nonc3C)C2)C(=O)C1 ZINC001071279504 784926629 /nfs/dbraw/zinc/92/66/29/784926629.db2.gz ULDKGQOGIVTYGW-AWEZNQCLSA-N 1 2 345.403 0.150 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3nonc3C)C2)C(=O)C1 ZINC001071279504 784926633 /nfs/dbraw/zinc/92/66/33/784926633.db2.gz ULDKGQOGIVTYGW-AWEZNQCLSA-N 1 2 345.403 0.150 20 30 ECEDLO CC#CCN1CCN([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C(=O)C1 ZINC001071279938 784927564 /nfs/dbraw/zinc/92/75/64/784927564.db2.gz ZNSGVSRSGLRNKR-INIZCTEOSA-N 1 2 343.431 0.042 20 30 ECEDLO C=CCCC(=O)N[C@H]1COC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001068753489 791075680 /nfs/dbraw/zinc/07/56/80/791075680.db2.gz OSILZHRSNDOUCU-CYBMUJFWSA-N 1 2 332.404 0.415 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)CC[C@H]1C ZINC001071894234 785286223 /nfs/dbraw/zinc/28/62/23/785286223.db2.gz XJSAFZLMRCWCQC-PWSUYJOCSA-N 1 2 327.812 0.761 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)CC[C@H]1C ZINC001071894234 785286231 /nfs/dbraw/zinc/28/62/31/785286231.db2.gz XJSAFZLMRCWCQC-PWSUYJOCSA-N 1 2 327.812 0.761 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CC[C@H]1C ZINC001071623592 785409603 /nfs/dbraw/zinc/40/96/03/785409603.db2.gz ZTBGQMSZPLTNNT-KGLIPLIRSA-N 1 2 342.871 0.482 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CC[C@H]1C ZINC001071623592 785409607 /nfs/dbraw/zinc/40/96/07/785409607.db2.gz ZTBGQMSZPLTNNT-KGLIPLIRSA-N 1 2 342.871 0.482 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(=O)NC3CC3)C2)nc1 ZINC001071998323 785501873 /nfs/dbraw/zinc/50/18/73/785501873.db2.gz IONRBHUMLIQACE-CZUORRHYSA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(=O)NC3CC3)C2)nc1 ZINC001071998323 785501877 /nfs/dbraw/zinc/50/18/77/785501877.db2.gz IONRBHUMLIQACE-CZUORRHYSA-N 1 2 340.427 0.924 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)COc3cc(C)on3)C[C@@H]21 ZINC001074271951 786559812 /nfs/dbraw/zinc/55/98/12/786559812.db2.gz VBFKSQOOOGLWST-GJZGRUSLSA-N 1 2 333.388 0.687 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)COc3cc(C)on3)C[C@@H]21 ZINC001074271951 786559819 /nfs/dbraw/zinc/55/98/19/786559819.db2.gz VBFKSQOOOGLWST-GJZGRUSLSA-N 1 2 333.388 0.687 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3cnccc3OC)C[C@@H]21 ZINC001074276756 786570582 /nfs/dbraw/zinc/57/05/82/786570582.db2.gz RWONMLYQZLGNLU-FUHWJXTLSA-N 1 2 343.427 0.958 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3cnccc3OC)C[C@@H]21 ZINC001074276756 786570585 /nfs/dbraw/zinc/57/05/85/786570585.db2.gz RWONMLYQZLGNLU-FUHWJXTLSA-N 1 2 343.427 0.958 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccn(CCOC)n3)C[C@@H]21 ZINC001074290881 786606805 /nfs/dbraw/zinc/60/68/05/786606805.db2.gz CODTXZHFUAIEPZ-IRXDYDNUSA-N 1 2 346.431 0.468 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccn(CCOC)n3)C[C@@H]21 ZINC001074290881 786606808 /nfs/dbraw/zinc/60/68/08/786606808.db2.gz CODTXZHFUAIEPZ-IRXDYDNUSA-N 1 2 346.431 0.468 20 30 ECEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)ccc3=O)C[C@H]21 ZINC001074292555 786611093 /nfs/dbraw/zinc/61/10/93/786611093.db2.gz XIQJASSUNMMNRF-WBVHZDCISA-N 1 2 331.416 0.877 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)ccc3=O)C[C@H]21 ZINC001074292555 786611096 /nfs/dbraw/zinc/61/10/96/786611096.db2.gz XIQJASSUNMMNRF-WBVHZDCISA-N 1 2 331.416 0.877 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCc3nccn3C)C[C@H]21 ZINC001074302090 786630737 /nfs/dbraw/zinc/63/07/37/786630737.db2.gz LDFSGSFSXLFIMQ-CVEARBPZSA-N 1 2 330.432 0.678 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCc3nccn3C)C[C@H]21 ZINC001074302090 786630744 /nfs/dbraw/zinc/63/07/44/786630744.db2.gz LDFSGSFSXLFIMQ-CVEARBPZSA-N 1 2 330.432 0.678 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCc3nc(C)no3)C[C@H]21 ZINC001074309402 786646199 /nfs/dbraw/zinc/64/61/99/786646199.db2.gz DICLQWQISUENGO-CABCVRRESA-N 1 2 332.404 0.636 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCc3nc(C)no3)C[C@H]21 ZINC001074309402 786646204 /nfs/dbraw/zinc/64/62/04/786646204.db2.gz DICLQWQISUENGO-CABCVRRESA-N 1 2 332.404 0.636 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccc(OC)cn3)C[C@H]21 ZINC001074326425 786680559 /nfs/dbraw/zinc/68/05/59/786680559.db2.gz FFRCELMSSOMZBC-QZTJIDSGSA-N 1 2 343.427 0.958 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccc(OC)cn3)C[C@H]21 ZINC001074326425 786680566 /nfs/dbraw/zinc/68/05/66/786680566.db2.gz FFRCELMSSOMZBC-QZTJIDSGSA-N 1 2 343.427 0.958 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc(=O)n3C)C[C@@H]21 ZINC001074335926 786699265 /nfs/dbraw/zinc/69/92/65/786699265.db2.gz HEVCQPPVCMWZQE-HOTGVXAUSA-N 1 2 331.416 0.877 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc(=O)n3C)C[C@@H]21 ZINC001074335926 786699270 /nfs/dbraw/zinc/69/92/70/786699270.db2.gz HEVCQPPVCMWZQE-HOTGVXAUSA-N 1 2 331.416 0.877 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@H]21 ZINC001074340523 786709949 /nfs/dbraw/zinc/70/99/49/786709949.db2.gz KBJFHOSVZPCOFU-CABCVRRESA-N 1 2 330.388 0.052 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@H]21 ZINC001074340523 786709956 /nfs/dbraw/zinc/70/99/56/786709956.db2.gz KBJFHOSVZPCOFU-CABCVRRESA-N 1 2 330.388 0.052 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(CC=C)nn3)C[C@@H]21 ZINC001074353026 786736341 /nfs/dbraw/zinc/73/63/41/786736341.db2.gz BAPZCSYHZUBEJJ-HOTGVXAUSA-N 1 2 329.404 0.403 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(CC=C)nn3)C[C@@H]21 ZINC001074353026 786736346 /nfs/dbraw/zinc/73/63/46/786736346.db2.gz BAPZCSYHZUBEJJ-HOTGVXAUSA-N 1 2 329.404 0.403 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3nnnc3C(C)C)C[C@H]21 ZINC001074354133 786738378 /nfs/dbraw/zinc/73/83/78/786738378.db2.gz LIZWSTJJJAVKSM-HUUCEWRRSA-N 1 2 348.451 0.674 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3nnnc3C(C)C)C[C@H]21 ZINC001074354133 786738381 /nfs/dbraw/zinc/73/83/81/786738381.db2.gz LIZWSTJJJAVKSM-HUUCEWRRSA-N 1 2 348.451 0.674 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(C(C)C)nn3)C[C@@H]21 ZINC001074370475 786779359 /nfs/dbraw/zinc/77/93/59/786779359.db2.gz AUBVRZPQAKMQLH-HOTGVXAUSA-N 1 2 331.420 0.798 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(C(C)C)nn3)C[C@@H]21 ZINC001074370475 786779367 /nfs/dbraw/zinc/77/93/67/786779367.db2.gz AUBVRZPQAKMQLH-HOTGVXAUSA-N 1 2 331.420 0.798 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCN3CCCC3=O)C[C@@H]21 ZINC001074402808 786866912 /nfs/dbraw/zinc/86/69/12/786866912.db2.gz MCSADQARQZKDQQ-HOTGVXAUSA-N 1 2 335.448 0.877 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCN3CCCC3=O)C[C@@H]21 ZINC001074402808 786866919 /nfs/dbraw/zinc/86/69/19/786866919.db2.gz MCSADQARQZKDQQ-HOTGVXAUSA-N 1 2 335.448 0.877 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cncnc3CC)C[C@H]21 ZINC001074408325 786890326 /nfs/dbraw/zinc/89/03/26/786890326.db2.gz UOGVXNPGWVIXGH-IAGOWNOFSA-N 1 2 328.416 0.978 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cncnc3CC)C[C@H]21 ZINC001074408325 786890336 /nfs/dbraw/zinc/89/03/36/786890336.db2.gz UOGVXNPGWVIXGH-IAGOWNOFSA-N 1 2 328.416 0.978 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2coc(C(N)=O)c2)C1 ZINC001073706289 787014384 /nfs/dbraw/zinc/01/43/84/787014384.db2.gz NZGYJHZLHFJXDH-GFCCVEGCSA-N 1 2 341.795 0.952 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2coc(C(N)=O)c2)C1 ZINC001073706289 787014396 /nfs/dbraw/zinc/01/43/96/787014396.db2.gz NZGYJHZLHFJXDH-GFCCVEGCSA-N 1 2 341.795 0.952 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](NC(=O)CSCC#N)[C@H](C)C1 ZINC001073744861 787106921 /nfs/dbraw/zinc/10/69/21/787106921.db2.gz RIWCCVVVLJNGJH-DGCLKSJQSA-N 1 2 349.460 0.871 20 30 ECEDLO C=C(C)CCC(=O)NCC1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001074758570 787771308 /nfs/dbraw/zinc/77/13/08/787771308.db2.gz CMDDRDJRFKYERM-UHFFFAOYSA-N 1 2 334.420 0.778 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001074085457 787843363 /nfs/dbraw/zinc/84/33/63/787843363.db2.gz VAOIHAHXMHYVTJ-HUUCEWRRSA-N 1 2 334.420 0.829 20 30 ECEDLO C#CCN1CC[NH+](Cc2ccc(CNC(=O)c3cn[nH]n3)cc2)CC1 ZINC001074111968 787901455 /nfs/dbraw/zinc/90/14/55/787901455.db2.gz GQFUKBCOUOIZCQ-UHFFFAOYSA-N 1 2 338.415 0.486 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)CSCC#N)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001074842429 788415183 /nfs/dbraw/zinc/41/51/83/788415183.db2.gz AQNGOPUACFLMPQ-NEPJUHHUSA-N 1 2 335.433 0.705 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001074990271 788676856 /nfs/dbraw/zinc/67/68/56/788676856.db2.gz DATYSARGRBTWJR-HUUCEWRRSA-N 1 2 346.431 0.498 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H](C)C1 ZINC001074991322 788679386 /nfs/dbraw/zinc/67/93/86/788679386.db2.gz SOEYFOYENDLXSI-HOTGVXAUSA-N 1 2 346.431 0.809 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001074992809 788683425 /nfs/dbraw/zinc/68/34/25/788683425.db2.gz JKVPRYAKYFKVAF-ZIAGYGMSSA-N 1 2 332.404 0.488 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001075087849 788882969 /nfs/dbraw/zinc/88/29/69/788882969.db2.gz CCVMOYFGIDLRQW-ZFWWWQNUSA-N 1 2 346.431 0.796 20 30 ECEDLO CC1(NC(=O)Cc2c[nH]c[nH+]2)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001072960886 789168641 /nfs/dbraw/zinc/16/86/41/789168641.db2.gz YAXRHZROHUUOJC-UHFFFAOYSA-N 1 2 340.387 0.963 20 30 ECEDLO C#CCOCCC(=O)N1CCC(C)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001073027643 789301379 /nfs/dbraw/zinc/30/13/79/789301379.db2.gz OIQIIVGATPKNPG-UHFFFAOYSA-N 1 2 332.404 0.489 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC([C@H]2OCCC[C@H]2NCC#N)CC1 ZINC001075416287 789345057 /nfs/dbraw/zinc/34/50/57/789345057.db2.gz WYESIPIVGIDHBL-SJLPKXTDSA-N 1 2 345.447 0.862 20 30 ECEDLO C=CCC[N@@H+]1CCC2(CN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)C2)C1 ZINC001073064756 789374455 /nfs/dbraw/zinc/37/44/55/789374455.db2.gz DBVWPLQVJHWFKT-UHFFFAOYSA-N 1 2 342.403 0.182 20 30 ECEDLO C=CCC[N@H+]1CCC2(CN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)C2)C1 ZINC001073064756 789374462 /nfs/dbraw/zinc/37/44/62/789374462.db2.gz DBVWPLQVJHWFKT-UHFFFAOYSA-N 1 2 342.403 0.182 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC(C)(NC(=O)C#CC2CC2)CC1 ZINC001073164687 789556903 /nfs/dbraw/zinc/55/69/03/789556903.db2.gz HPVMPSBAISBALX-UHFFFAOYSA-N 1 2 328.416 0.873 20 30 ECEDLO N#Cc1ccc(N2CC[C@]3(NC(=O)Cc4[nH]cc[nH+]4)CCC[C@@H]23)nn1 ZINC001069270855 789721867 /nfs/dbraw/zinc/72/18/67/789721867.db2.gz IDIYMDWGCRKMIE-CXAGYDPISA-N 1 2 337.387 0.932 20 30 ECEDLO N#Cc1nccc(N2CC[C@@]3(NC(=O)Cc4[nH]cc[nH+]4)CCC[C@@H]23)n1 ZINC001069271743 789723089 /nfs/dbraw/zinc/72/30/89/789723089.db2.gz WHTPROXNBLBKDV-PXAZEXFGSA-N 1 2 337.387 0.932 20 30 ECEDLO N#Cc1nccc(NC[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001069475169 789849729 /nfs/dbraw/zinc/84/97/29/789849729.db2.gz BXHYIABPABOOQT-QWHCGFSZSA-N 1 2 325.376 0.364 20 30 ECEDLO N#CCN1CCn2ncc(CNC(=O)[C@H]3CCc4[nH+]ccn4C3)c2C1 ZINC001069865191 790121891 /nfs/dbraw/zinc/12/18/91/790121891.db2.gz ZASZSKYCSWZGJI-ZDUSSCGKSA-N 1 2 339.403 0.298 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CCN(C)C3=O)c2C1 ZINC001069870901 790132032 /nfs/dbraw/zinc/13/20/32/790132032.db2.gz ZUYQIRCDHFJRJI-CQSZACIVSA-N 1 2 331.420 0.369 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CCN(C)C3=O)c2C1 ZINC001069870901 790132036 /nfs/dbraw/zinc/13/20/36/790132036.db2.gz ZUYQIRCDHFJRJI-CQSZACIVSA-N 1 2 331.420 0.369 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3cn(CC=C)nn3)c2C1 ZINC001069876911 790138915 /nfs/dbraw/zinc/13/89/15/790138915.db2.gz SZDAIAXINGCPNW-UHFFFAOYSA-N 1 2 341.419 0.982 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3cn(CC=C)nn3)c2C1 ZINC001069876911 790138918 /nfs/dbraw/zinc/13/89/18/790138918.db2.gz SZDAIAXINGCPNW-UHFFFAOYSA-N 1 2 341.419 0.982 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2nc(C)sc2C)[C@@H](n2ccnn2)C1 ZINC001069959275 790241717 /nfs/dbraw/zinc/24/17/17/790241717.db2.gz NBROVQPCQHKQAS-CABCVRRESA-N 1 2 344.444 0.569 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2nc(C)sc2C)[C@@H](n2ccnn2)C1 ZINC001069959275 790241721 /nfs/dbraw/zinc/24/17/21/790241721.db2.gz NBROVQPCQHKQAS-CABCVRRESA-N 1 2 344.444 0.569 20 30 ECEDLO C=CCOCC(=O)N1CC2(C1)C[C@H](NC(=O)CCc1[nH]cc[nH+]1)CO2 ZINC001068839110 791235725 /nfs/dbraw/zinc/23/57/25/791235725.db2.gz MTNOLQQTQBUOTC-ZDUSSCGKSA-N 1 2 348.403 0.031 20 30 ECEDLO O=C(CCc1[nH]cc[nH+]1)N[C@@H]1COC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001068845386 791250240 /nfs/dbraw/zinc/25/02/40/791250240.db2.gz UIASZOHBOBFEKU-AWEZNQCLSA-N 1 2 342.399 0.242 20 30 ECEDLO CC(C)C#CC(=O)N[C@@H]1COC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001068859131 791280448 /nfs/dbraw/zinc/28/04/48/791280448.db2.gz OGSWGZMHGBJJHV-AWEZNQCLSA-N 1 2 344.415 0.108 20 30 ECEDLO Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C)n1 ZINC001068863677 791296684 /nfs/dbraw/zinc/29/66/84/791296684.db2.gz BPFYLLLCRWYGNG-TZMCWYRMSA-N 1 2 325.376 0.955 20 30 ECEDLO C#CCCCCC(=O)N1CC2(C1)C[C@H](NC(=O)Cn1cc[nH+]c1)CO2 ZINC001068913450 791407204 /nfs/dbraw/zinc/40/72/04/791407204.db2.gz RSGQHLKVNBFLMA-HNNXBMFYSA-N 1 2 344.415 0.563 20 30 ECEDLO C[C@@H]1[C@@H](Nc2ccnc(C#N)n2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001068971209 791526004 /nfs/dbraw/zinc/52/60/04/791526004.db2.gz DCDNPJXKZUVILW-YPMHNXCESA-N 1 2 325.376 0.527 20 30 ECEDLO C[C@@H]1[C@@H](Nc2ccnc(C#N)n2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001068971209 791526014 /nfs/dbraw/zinc/52/60/14/791526014.db2.gz DCDNPJXKZUVILW-YPMHNXCESA-N 1 2 325.376 0.527 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1COC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001068976616 791534347 /nfs/dbraw/zinc/53/43/47/791534347.db2.gz ZKXRGSJYPKYVMG-LSDHHAIUSA-N 1 2 346.431 0.972 20 30 ECEDLO C=CCCOCC(=O)N1CC2(C1)C[C@H](NC(=O)Cc1[nH]cc[nH+]1)CO2 ZINC001068984073 791549499 /nfs/dbraw/zinc/54/94/99/791549499.db2.gz PHVJXPGWWSUTOE-ZDUSSCGKSA-N 1 2 348.403 0.031 20 30 ECEDLO Cc1cc(C#N)nc(N[C@@H]2C[C@H](C)N(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC001069116465 791717282 /nfs/dbraw/zinc/71/72/82/791717282.db2.gz RIBAPHZSUWZZOJ-GXTWGEPZSA-N 1 2 325.376 0.955 20 30 ECEDLO C[C@@H]1C[C@H](Nc2nccnc2C#N)CN1C(=O)Cc1c[nH+]cn1C ZINC001069121821 791722213 /nfs/dbraw/zinc/72/22/13/791722213.db2.gz LNSDRHCYAYCZBI-NEPJUHHUSA-N 1 2 325.376 0.726 20 30 ECEDLO C=CCn1cc(C(=O)N2CCO[C@H](CNc3cc[nH+]c(C)n3)C2)nn1 ZINC001066683220 791981815 /nfs/dbraw/zinc/98/18/15/791981815.db2.gz WTWBNAWROWEBDJ-CYBMUJFWSA-N 1 2 343.391 0.516 20 30 ECEDLO N#Cc1cnc(N2CC[NH+]([C@@H]3CCN(C(=O)C4CC4)C3)CC2)cn1 ZINC001066693477 792007199 /nfs/dbraw/zinc/00/71/99/792007199.db2.gz ACHCMOBXCHTSHE-OAHLLOKOSA-N 1 2 326.404 0.481 20 30 ECEDLO N#Cc1cnc(N2CC[NH+]([C@H]3CCN(C(=O)C4CCC4)C3)CC2)cn1 ZINC001066693872 792008007 /nfs/dbraw/zinc/00/80/07/792008007.db2.gz GRKLZRWYPDDOQH-INIZCTEOSA-N 1 2 340.431 0.871 20 30 ECEDLO CSCC(=O)N1CC[C@@H]([NH+]2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001066696825 792012638 /nfs/dbraw/zinc/01/26/38/792012638.db2.gz UZVBVJRUQUFZKB-CYBMUJFWSA-N 1 2 346.460 0.434 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(c3cnc(F)cn3)CC2)C1 ZINC001066698589 792018154 /nfs/dbraw/zinc/01/81/54/792018154.db2.gz NCGSUXDMMXSXJL-STQMWFEESA-N 1 2 332.383 0.498 20 30 ECEDLO COCC(=O)N1CC[C@H]([NH+]2CCN(c3ncc(C#N)cc3F)CC2)C1 ZINC001066699145 792022473 /nfs/dbraw/zinc/02/24/73/792022473.db2.gz SGGKGDZTUQKLKK-AWEZNQCLSA-N 1 2 347.394 0.462 20 30 ECEDLO CO[C@@H](C)C(=O)N1CC[C@@H]([NH+]2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001066699446 792023496 /nfs/dbraw/zinc/02/34/96/792023496.db2.gz XVYTWKFUQPVDSL-UONOGXRCSA-N 1 2 344.419 0.106 20 30 ECEDLO COCC(=O)N1CC[C@H]([NH+]2CCN(c3cc(C)ncc3C#N)CC2)C1 ZINC001066699498 792024375 /nfs/dbraw/zinc/02/43/75/792024375.db2.gz ZHFZEKRVINUALX-INIZCTEOSA-N 1 2 343.431 0.631 20 30 ECEDLO CC[C@@H](F)C(=O)N1CC[C@H]([NH+]2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001066702499 792031944 /nfs/dbraw/zinc/03/19/44/792031944.db2.gz KETGUHKFBHBVNS-LSDHHAIUSA-N 1 2 346.410 0.819 20 30 ECEDLO C[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH+]2CCN(c3nccnc3C#N)CC2)C1 ZINC001066702649 792032226 /nfs/dbraw/zinc/03/22/26/792032226.db2.gz NXSYBUGIYCQBGK-RBSFLKMASA-N 1 2 340.431 0.727 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1)c1ccc(C#N)nc1 ZINC001067748531 792220072 /nfs/dbraw/zinc/22/00/72/792220072.db2.gz ADHSJECOQHPALS-SJORKVTESA-N 1 2 343.431 0.711 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccc(C#N)nc1 ZINC001067748531 792220077 /nfs/dbraw/zinc/22/00/77/792220077.db2.gz ADHSJECOQHPALS-SJORKVTESA-N 1 2 343.431 0.711 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C)c1nccnc1C#N ZINC001067768454 792256214 /nfs/dbraw/zinc/25/62/14/792256214.db2.gz XKQSSTGIXCKRPF-ZDUSSCGKSA-N 1 2 339.403 0.752 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CN(c2cncc(C#N)n2)CC[C@H]1C ZINC001067962832 792512896 /nfs/dbraw/zinc/51/28/96/792512896.db2.gz GCAUCCROOABNFO-ABAIWWIYSA-N 1 2 339.403 0.954 20 30 ECEDLO C[C@@H]1CCN(c2ccnc(C#N)n2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067966099 792518717 /nfs/dbraw/zinc/51/87/17/792518717.db2.gz VNFBTMGGXDYJDH-CHWSQXEVSA-N 1 2 325.376 0.576 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[C@@H](C)[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001067966859 792519428 /nfs/dbraw/zinc/51/94/28/792519428.db2.gz FYIGPNTXLFJRGD-BXUZGUMPSA-N 1 2 339.403 0.954 20 30 ECEDLO C[C@@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067967806 792522169 /nfs/dbraw/zinc/52/21/69/792522169.db2.gz ROCAYYQIZLYQSZ-YPMHNXCESA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@@H]1CCN(c2nccnc2C#N)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067993000 792553935 /nfs/dbraw/zinc/55/39/35/792553935.db2.gz GETBCXSVCUBRBG-BXUZGUMPSA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@H]1CCN(c2cncc(C#N)n2)C[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067992861 792554468 /nfs/dbraw/zinc/55/44/68/792554468.db2.gz DDLOMLDTVRURKC-FZMZJTMJSA-N 1 2 325.376 0.645 20 30 ECEDLO CC1(C)CN(c2nccnc2C#N)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001068115439 792697545 /nfs/dbraw/zinc/69/75/45/792697545.db2.gz KGUITHIMNWFLEF-CYBMUJFWSA-N 1 2 325.376 0.576 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)CCCN(C)C(=O)Cc2c[nH+]c[nH]2)c1 ZINC001068120815 792706604 /nfs/dbraw/zinc/70/66/04/792706604.db2.gz SSDXOUBPXYGJGK-UHFFFAOYSA-N 1 2 339.399 0.949 20 30 ECEDLO CN(CCCN(C)C(=O)c1cc(C#N)c[nH]1)C(=O)Cc1c[nH+]c[nH]1 ZINC001067117145 792714922 /nfs/dbraw/zinc/71/49/22/792714922.db2.gz FKFPTVIQRDDYIF-UHFFFAOYSA-N 1 2 328.376 0.773 20 30 ECEDLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1Nc1nccnc1C#N ZINC001067174792 792776993 /nfs/dbraw/zinc/77/69/93/792776993.db2.gz KYNRYDUYJIJOGO-GXTWGEPZSA-N 1 2 325.376 0.894 20 30 ECEDLO CN(CCCN(C)C(=O)c1ccc(C#N)[nH]1)C(=O)Cc1c[nH+]cn1C ZINC001067211176 792825711 /nfs/dbraw/zinc/82/57/11/792825711.db2.gz HSOBVFQAFOTQGF-UHFFFAOYSA-N 1 2 342.403 0.783 20 30 ECEDLO C[C@H](Nc1cnc(C#N)cn1)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001068234848 792886463 /nfs/dbraw/zinc/88/64/63/792886463.db2.gz MDNKOKCVFMLRAF-GXTWGEPZSA-N 1 2 341.375 0.273 20 30 ECEDLO C[C@H](Nc1cnc(C#N)cn1)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001068234849 792887100 /nfs/dbraw/zinc/88/71/00/792887100.db2.gz MDNKOKCVFMLRAF-JSGCOSHPSA-N 1 2 341.375 0.273 20 30 ECEDLO C[C@H](Nc1cncc(C#N)n1)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001068235831 792892293 /nfs/dbraw/zinc/89/22/93/792892293.db2.gz AZJFFHWLESUNDL-WCQYABFASA-N 1 2 341.375 0.342 20 30 ECEDLO C[C@@H](Nc1nccnc1C#N)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001068245364 792924794 /nfs/dbraw/zinc/92/47/94/792924794.db2.gz KPXSKHMYQVTNBT-RISCZKNCSA-N 1 2 341.375 0.342 20 30 ECEDLO C[C@H](Nc1ccc(C#N)cn1)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001068246246 792928031 /nfs/dbraw/zinc/92/80/31/792928031.db2.gz VLXYFYXRUNOFTB-SWLSCSKDSA-N 1 2 340.387 0.947 20 30 ECEDLO C[C@H](Nc1ccc(C#N)nn1)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001068246287 792928633 /nfs/dbraw/zinc/92/86/33/792928633.db2.gz WHDHMMCDKZPCAM-SMDDNHRTSA-N 1 2 341.375 0.342 20 30 ECEDLO C[C@@H]1CN(c2ccc(C#N)nn2)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067405567 793109198 /nfs/dbraw/zinc/10/91/98/793109198.db2.gz JWMLLXUCPLCRKA-DOMZBBRYSA-N 1 2 339.403 0.655 20 30 ECEDLO C[C@H]1CN(c2cnc(C#N)cn2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067408917 793114105 /nfs/dbraw/zinc/11/41/05/793114105.db2.gz WYNUGCVJRKMNLM-AAEUAGOBSA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@H]1CN(c2ccc(C#N)nn2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067441396 793164950 /nfs/dbraw/zinc/16/49/50/793164950.db2.gz YRYVCSAREHSCFZ-SMDDNHRTSA-N 1 2 325.376 0.645 20 30 ECEDLO CCCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#CCOC)nn1 ZINC001267432175 837404179 /nfs/dbraw/zinc/40/41/79/837404179.db2.gz HYMAUHABBLZVDQ-GASCZTMLSA-N 1 2 331.420 0.627 20 30 ECEDLO CCCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#CCOC)nn1 ZINC001267432175 837404184 /nfs/dbraw/zinc/40/41/84/837404184.db2.gz HYMAUHABBLZVDQ-GASCZTMLSA-N 1 2 331.420 0.627 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cc(CC)n[nH]2)C1 ZINC001267449797 837436986 /nfs/dbraw/zinc/43/69/86/837436986.db2.gz FWEMUOUYWAOMJI-HNNXBMFYSA-N 1 2 345.447 0.648 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cc(CC)n[nH]2)C1 ZINC001267449797 837436994 /nfs/dbraw/zinc/43/69/94/837436994.db2.gz FWEMUOUYWAOMJI-HNNXBMFYSA-N 1 2 345.447 0.648 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)c2ccnc(C)n2)C1 ZINC001267496300 837568152 /nfs/dbraw/zinc/56/81/52/837568152.db2.gz QLXPCJCBFPWZHZ-HNNXBMFYSA-N 1 2 343.431 0.461 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccnc(C)n2)C1 ZINC001267496300 837568155 /nfs/dbraw/zinc/56/81/55/837568155.db2.gz QLXPCJCBFPWZHZ-HNNXBMFYSA-N 1 2 343.431 0.461 20 30 ECEDLO CCc1nc(C(=O)N(C)CCN2CC[NH+](CC#CCOC)CC2)co1 ZINC001267572220 837807112 /nfs/dbraw/zinc/80/71/12/837807112.db2.gz HDVFLMCIRDBLMJ-UHFFFAOYSA-N 1 2 348.447 0.576 20 30 ECEDLO CCc1nc(C(=O)N(C)CC[NH+]2CCN(CC#CCOC)CC2)co1 ZINC001267572220 837807119 /nfs/dbraw/zinc/80/71/19/837807119.db2.gz HDVFLMCIRDBLMJ-UHFFFAOYSA-N 1 2 348.447 0.576 20 30 ECEDLO CC(C)Cn1ccc(C(=O)N(C)CC[NH+]2CCN(CC#N)CC2)n1 ZINC001267573600 837814926 /nfs/dbraw/zinc/81/49/26/837814926.db2.gz VPWOVFWLPRNRNC-UHFFFAOYSA-N 1 2 332.452 0.752 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN(CCN(C)C(=O)C(C)C)CC2)C1=O ZINC001267573761 837816581 /nfs/dbraw/zinc/81/65/81/837816581.db2.gz KZIHXBSMRWCELQ-MRXNPFEDSA-N 1 2 336.480 0.505 20 30 ECEDLO C=CCN1CC[C@@H](N2CC[NH+](CCN(C)C(=O)C(C)C)CC2)C1=O ZINC001267573761 837816592 /nfs/dbraw/zinc/81/65/92/837816592.db2.gz KZIHXBSMRWCELQ-MRXNPFEDSA-N 1 2 336.480 0.505 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)Cc1c[nH]c2cnccc12 ZINC001267574432 837821563 /nfs/dbraw/zinc/82/15/63/837821563.db2.gz HFOLMRMIDNAFCK-UHFFFAOYSA-N 1 2 340.431 0.705 20 30 ECEDLO C=CCOCC(=O)N(C)CC[NH+]1CCN(Cc2cncn2C)CC1 ZINC001267574240 837821592 /nfs/dbraw/zinc/82/15/92/837821592.db2.gz ZLBUJHCEZFTIOK-UHFFFAOYSA-N 1 2 335.452 0.199 20 30 ECEDLO CN(C)[C@@H](C(=O)NCCC[NH+]1CCN(CC#N)CC1)c1ccccc1 ZINC001266277453 835603457 /nfs/dbraw/zinc/60/34/57/835603457.db2.gz ATXHBQOHQHGQMZ-GOSISDBHSA-N 1 2 343.475 0.937 20 30 ECEDLO COCC#CCN1CC[NH+](CCNC(=O)[C@H]2CCC(F)(F)C2)CC1 ZINC001266285734 835620665 /nfs/dbraw/zinc/62/06/65/835620665.db2.gz LCUCTFQHVSWSPG-HNNXBMFYSA-N 1 2 343.418 0.805 20 30 ECEDLO COCC#CC[NH+]1CCN(CCNC(=O)[C@H]2CCC(F)(F)C2)CC1 ZINC001266285734 835620667 /nfs/dbraw/zinc/62/06/67/835620667.db2.gz LCUCTFQHVSWSPG-HNNXBMFYSA-N 1 2 343.418 0.805 20 30 ECEDLO CC#CCN1CC[NH+](CCNC(=O)[C@@H](C)NC(=O)C(C)(C)C)CC1 ZINC001266289908 835633402 /nfs/dbraw/zinc/63/34/02/835633402.db2.gz HARVWONLTHHCTB-OAHLLOKOSA-N 1 2 336.480 0.294 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnc(C)cn2)C1 ZINC001266299305 835656025 /nfs/dbraw/zinc/65/60/25/835656025.db2.gz OTVQXTVGYVNMDV-OAHLLOKOSA-N 1 2 343.431 0.790 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnc(C)cn2)C1 ZINC001266299305 835656028 /nfs/dbraw/zinc/65/60/28/835656028.db2.gz OTVQXTVGYVNMDV-OAHLLOKOSA-N 1 2 343.431 0.790 20 30 ECEDLO C[N@H+](CCNC(=O)c1noc2c1CC(C)(C)CC2)CC(=O)NCC#N ZINC001266301459 835660816 /nfs/dbraw/zinc/66/08/16/835660816.db2.gz QPLJOURNQAJBRU-UHFFFAOYSA-N 1 2 347.419 0.491 20 30 ECEDLO C[N@@H+](CCNC(=O)c1noc2c1CC(C)(C)CC2)CC(=O)NCC#N ZINC001266301459 835660822 /nfs/dbraw/zinc/66/08/22/835660822.db2.gz QPLJOURNQAJBRU-UHFFFAOYSA-N 1 2 347.419 0.491 20 30 ECEDLO CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CSCC#N)C1 ZINC001266302250 835664010 /nfs/dbraw/zinc/66/40/10/835664010.db2.gz MGHIFOZNAODJKX-QWHCGFSZSA-N 1 2 326.466 0.738 20 30 ECEDLO CCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CSCC#N)C1 ZINC001266302250 835664019 /nfs/dbraw/zinc/66/40/19/835664019.db2.gz MGHIFOZNAODJKX-QWHCGFSZSA-N 1 2 326.466 0.738 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC(C)C)n2)C1 ZINC001266320778 835692194 /nfs/dbraw/zinc/69/21/94/835692194.db2.gz FYLDDBWLBBMGAO-HUUCEWRRSA-N 1 2 345.447 0.481 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccn(CC(C)C)n2)C1 ZINC001266320778 835692199 /nfs/dbraw/zinc/69/21/99/835692199.db2.gz FYLDDBWLBBMGAO-HUUCEWRRSA-N 1 2 345.447 0.481 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2conc2COC)C1 ZINC001266353672 835756238 /nfs/dbraw/zinc/75/62/38/835756238.db2.gz ZPGGZJANBNJJLY-RYUDHWBXSA-N 1 2 336.392 0.316 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2conc2COC)C1 ZINC001266353672 835756246 /nfs/dbraw/zinc/75/62/46/835756246.db2.gz ZPGGZJANBNJJLY-RYUDHWBXSA-N 1 2 336.392 0.316 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1[nH]ccc1C ZINC001266460786 835863238 /nfs/dbraw/zinc/86/32/38/835863238.db2.gz DDERIIJDTYYZOB-ZDUSSCGKSA-N 1 2 347.419 0.529 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]ccc1C ZINC001266460786 835863242 /nfs/dbraw/zinc/86/32/42/835863242.db2.gz DDERIIJDTYYZOB-ZDUSSCGKSA-N 1 2 347.419 0.529 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1Cc2ccccc2O1 ZINC001266471560 835874552 /nfs/dbraw/zinc/87/45/52/835874552.db2.gz RBBJXMCVRPNJFN-ZBFHGGJFSA-N 1 2 342.399 0.210 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1Cc2ccccc2O1 ZINC001266471560 835874559 /nfs/dbraw/zinc/87/45/59/835874559.db2.gz RBBJXMCVRPNJFN-ZBFHGGJFSA-N 1 2 342.399 0.210 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C[C@@](C)(O)C=C)C1=O ZINC001266483692 835883861 /nfs/dbraw/zinc/88/38/61/835883861.db2.gz AVWGQSRVFHGJEL-OLMMMNRUSA-N 1 2 347.459 0.776 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C[C@@](C)(O)C=C)C1=O ZINC001266483692 835883869 /nfs/dbraw/zinc/88/38/69/835883869.db2.gz AVWGQSRVFHGJEL-OLMMMNRUSA-N 1 2 347.459 0.776 20 30 ECEDLO C[C@H](c1nnnn1C1CC1)[N@@H+]1CC[C@H](CNC(=O)CSCC#N)C1 ZINC001266499436 835900375 /nfs/dbraw/zinc/90/03/75/835900375.db2.gz ARAZCWYUJPSAFW-VXGBXAGGSA-N 1 2 349.464 0.764 20 30 ECEDLO C[C@H](c1nnnn1C1CC1)[N@H+]1CC[C@H](CNC(=O)CSCC#N)C1 ZINC001266499436 835900383 /nfs/dbraw/zinc/90/03/83/835900383.db2.gz ARAZCWYUJPSAFW-VXGBXAGGSA-N 1 2 349.464 0.764 20 30 ECEDLO O=C(C#CC1CC1)NCC[N@@H+](CC(=O)Nc1cnccn1)C1CC1 ZINC001266592580 836024204 /nfs/dbraw/zinc/02/42/04/836024204.db2.gz USANMGSRQPHPJF-UHFFFAOYSA-N 1 2 327.388 0.409 20 30 ECEDLO O=C(C#CC1CC1)NCC[N@H+](CC(=O)Nc1cnccn1)C1CC1 ZINC001266592580 836024214 /nfs/dbraw/zinc/02/42/14/836024214.db2.gz USANMGSRQPHPJF-UHFFFAOYSA-N 1 2 327.388 0.409 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)C1(F)CCOCC1 ZINC001266845324 836372964 /nfs/dbraw/zinc/37/29/64/836372964.db2.gz WJZKVDAGOWMFAM-AWEZNQCLSA-N 1 2 341.427 0.778 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)C1(F)CCOCC1 ZINC001266845324 836372973 /nfs/dbraw/zinc/37/29/73/836372973.db2.gz WJZKVDAGOWMFAM-AWEZNQCLSA-N 1 2 341.427 0.778 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)c1c[nH]cn1 ZINC001266858621 836395831 /nfs/dbraw/zinc/39/58/31/836395831.db2.gz UOJFYIQOQVQLLN-CQSZACIVSA-N 1 2 347.463 0.960 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)c1c[nH]cn1 ZINC001266858621 836395837 /nfs/dbraw/zinc/39/58/37/836395837.db2.gz UOJFYIQOQVQLLN-CQSZACIVSA-N 1 2 347.463 0.960 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)Cn1ncc2ccccc21 ZINC001267223997 837018678 /nfs/dbraw/zinc/01/86/78/837018678.db2.gz WXTPPLXYMDVYAH-UHFFFAOYSA-N 1 2 329.404 0.387 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)Cn1ncc2ccccc21 ZINC001267223997 837018689 /nfs/dbraw/zinc/01/86/89/837018689.db2.gz WXTPPLXYMDVYAH-UHFFFAOYSA-N 1 2 329.404 0.387 20 30 ECEDLO CC(C)Oc1ccc(C(=O)NCC[N@H+](C)CC(=O)NCC#N)cc1 ZINC001267229871 837031237 /nfs/dbraw/zinc/03/12/37/837031237.db2.gz OOGFLGUHMVRZNS-UHFFFAOYSA-N 1 2 332.404 0.775 20 30 ECEDLO CC(C)Oc1ccc(C(=O)NCC[N@@H+](C)CC(=O)NCC#N)cc1 ZINC001267229871 837031250 /nfs/dbraw/zinc/03/12/50/837031250.db2.gz OOGFLGUHMVRZNS-UHFFFAOYSA-N 1 2 332.404 0.775 20 30 ECEDLO C=CCNC(=O)NC(C)(C)C(=O)NCC[N@@H+](C)Cc1cnc(C)cn1 ZINC001267233530 837039633 /nfs/dbraw/zinc/03/96/33/837039633.db2.gz VMRLLJBGPJJYQB-UHFFFAOYSA-N 1 2 348.451 0.597 20 30 ECEDLO C=CCNC(=O)NC(C)(C)C(=O)NCC[N@H+](C)Cc1cnc(C)cn1 ZINC001267233530 837039642 /nfs/dbraw/zinc/03/96/42/837039642.db2.gz VMRLLJBGPJJYQB-UHFFFAOYSA-N 1 2 348.451 0.597 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCC(C)(C)C ZINC001267266761 837103170 /nfs/dbraw/zinc/10/31/70/837103170.db2.gz ILONBYFNBNLXMU-GJZGRUSLSA-N 1 2 337.464 0.768 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCC(C)(C)C ZINC001267266761 837103173 /nfs/dbraw/zinc/10/31/73/837103173.db2.gz ILONBYFNBNLXMU-GJZGRUSLSA-N 1 2 337.464 0.768 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1nocc1C ZINC001267280049 837126682 /nfs/dbraw/zinc/12/66/82/837126682.db2.gz QGMXNTRGVMHEND-LBPRGKRZSA-N 1 2 349.391 0.189 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1nocc1C ZINC001267280049 837126691 /nfs/dbraw/zinc/12/66/91/837126691.db2.gz QGMXNTRGVMHEND-LBPRGKRZSA-N 1 2 349.391 0.189 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2nc(CC3CC3)no2)C1 ZINC001267292562 837144426 /nfs/dbraw/zinc/14/44/26/837144426.db2.gz CGCAPJLGEQCISG-HIFRSBDPSA-N 1 2 346.431 0.999 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2nc(CC3CC3)no2)C1 ZINC001267292562 837144431 /nfs/dbraw/zinc/14/44/31/837144431.db2.gz CGCAPJLGEQCISG-HIFRSBDPSA-N 1 2 346.431 0.999 20 30 ECEDLO C=CCN1CC[C@H](N(CCNC(=O)Cn2c[nH+]cc2C)C2CC2)C1=O ZINC001267329737 837211222 /nfs/dbraw/zinc/21/12/22/837211222.db2.gz PWRQPUXKSSPSBS-INIZCTEOSA-N 1 2 345.447 0.559 20 30 ECEDLO COCC#CCN1CC[NH+](CCN(C)C(=O)c2ncccc2C)CC1 ZINC001267605957 837944447 /nfs/dbraw/zinc/94/44/47/837944447.db2.gz JBGDRAFCHCWHMD-UHFFFAOYSA-N 1 2 344.459 0.729 20 30 ECEDLO COCC#CC[NH+]1CCN(CCN(C)C(=O)c2ncccc2C)CC1 ZINC001267605957 837944449 /nfs/dbraw/zinc/94/44/49/837944449.db2.gz JBGDRAFCHCWHMD-UHFFFAOYSA-N 1 2 344.459 0.729 20 30 ECEDLO C#CCCCCC(=O)N(C)CC[NH+]1CCN(Cc2cnon2)CC1 ZINC001267606218 837946315 /nfs/dbraw/zinc/94/63/15/837946315.db2.gz QJBUVJNRMXALTN-UHFFFAOYSA-N 1 2 333.436 0.839 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cocn2)C1 ZINC001267609766 837971576 /nfs/dbraw/zinc/97/15/76/837971576.db2.gz BWQWXRSAPQEWOI-NWDGAFQWSA-N 1 2 349.391 0.269 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cocn2)C1 ZINC001267609766 837971583 /nfs/dbraw/zinc/97/15/83/837971583.db2.gz BWQWXRSAPQEWOI-NWDGAFQWSA-N 1 2 349.391 0.269 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cc(OC)no2)C1 ZINC001267611906 837979107 /nfs/dbraw/zinc/97/91/07/837979107.db2.gz OFSIVSDCXLEYJF-VXGBXAGGSA-N 1 2 336.392 0.568 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cc(OC)no2)C1 ZINC001267611906 837979117 /nfs/dbraw/zinc/97/91/17/837979117.db2.gz OFSIVSDCXLEYJF-VXGBXAGGSA-N 1 2 336.392 0.568 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)Cn2ccc(C)n2)C1 ZINC001267613509 837986875 /nfs/dbraw/zinc/98/68/75/837986875.db2.gz KXDFZJWRCBZCLN-GOEBONIOSA-N 1 2 345.447 0.158 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)Cn2ccc(C)n2)C1 ZINC001267613509 837986882 /nfs/dbraw/zinc/98/68/82/837986882.db2.gz KXDFZJWRCBZCLN-GOEBONIOSA-N 1 2 345.447 0.158 20 30 ECEDLO COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)C#CC(C)C)C1 ZINC001267614693 837990116 /nfs/dbraw/zinc/99/01/16/837990116.db2.gz PAWAHYYPERPQIY-JKSUJKDBSA-N 1 2 337.464 0.768 20 30 ECEDLO COCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C#CC(C)C)C1 ZINC001267614693 837990127 /nfs/dbraw/zinc/99/01/27/837990127.db2.gz PAWAHYYPERPQIY-JKSUJKDBSA-N 1 2 337.464 0.768 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cc2cnn(C)c2C)C1 ZINC001267614854 837991531 /nfs/dbraw/zinc/99/15/31/837991531.db2.gz CTLNSRGBCVXJBY-OAHLLOKOSA-N 1 2 333.436 0.154 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cnn(C)c2C)C1 ZINC001267614854 837991539 /nfs/dbraw/zinc/99/15/39/837991539.db2.gz CTLNSRGBCVXJBY-OAHLLOKOSA-N 1 2 333.436 0.154 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C2(F)CCOCC2)C1 ZINC001267615277 837993210 /nfs/dbraw/zinc/99/32/10/837993210.db2.gz KWFKLHWKLMXUOF-ZIAGYGMSSA-N 1 2 339.411 0.224 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)C2(F)CCOCC2)C1 ZINC001267615277 837993205 /nfs/dbraw/zinc/99/32/05/837993205.db2.gz KWFKLHWKLMXUOF-ZIAGYGMSSA-N 1 2 339.411 0.224 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cnc(C)n2C)C1 ZINC001267617778 838043169 /nfs/dbraw/zinc/04/31/69/838043169.db2.gz KADKAGYPQGENPS-TZMCWYRMSA-N 1 2 333.436 0.613 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cnc(C)n2C)C1 ZINC001267617778 838043174 /nfs/dbraw/zinc/04/31/74/838043174.db2.gz KADKAGYPQGENPS-TZMCWYRMSA-N 1 2 333.436 0.613 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)c2nn(C)cc2C)C1 ZINC001267624857 838071716 /nfs/dbraw/zinc/07/17/16/838071716.db2.gz PCVHKCFGEVNNQS-KGLIPLIRSA-N 1 2 333.436 0.613 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2nn(C)cc2C)C1 ZINC001267624857 838071734 /nfs/dbraw/zinc/07/17/34/838071734.db2.gz PCVHKCFGEVNNQS-KGLIPLIRSA-N 1 2 333.436 0.613 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)Cc2cn(C)nc2C)C1 ZINC001267627801 838079054 /nfs/dbraw/zinc/07/90/54/838079054.db2.gz GFFJPDVBTOLDGV-HNNXBMFYSA-N 1 2 333.436 0.154 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cc2cn(C)nc2C)C1 ZINC001267627801 838079064 /nfs/dbraw/zinc/07/90/64/838079064.db2.gz GFFJPDVBTOLDGV-HNNXBMFYSA-N 1 2 333.436 0.154 20 30 ECEDLO COC[C@@H](C)OC[C@@H](O)C[NH+]1CC(NC(=O)C#CC(C)(C)C)C1 ZINC001267644718 838128529 /nfs/dbraw/zinc/12/85/29/838128529.db2.gz DALUCWJBZNYUPE-HIFRSBDPSA-N 1 2 326.437 0.249 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C#CC(C)C)C1 ZINC001267680731 838239952 /nfs/dbraw/zinc/23/99/52/838239952.db2.gz VGTVNEGJQJEQGH-CYBMUJFWSA-N 1 2 334.420 0.094 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2coc(C(C)(C)C)n2)C1 ZINC001267681092 838242046 /nfs/dbraw/zinc/24/20/46/838242046.db2.gz ICPIGBBGHJLJDE-UHFFFAOYSA-N 1 2 334.420 0.936 20 30 ECEDLO CC#CCCCC(=O)NCC1C[NH+](CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001267689400 838258775 /nfs/dbraw/zinc/25/87/75/838258775.db2.gz JQHMZRKLMNMLOM-HNNXBMFYSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)c2cc3cc(F)ccc3o2)C1 ZINC001267693476 838277713 /nfs/dbraw/zinc/27/77/13/838277713.db2.gz GYLGMSCWRCHXMU-UHFFFAOYSA-N 1 2 343.358 0.983 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2cn(C)nc2C(C)C)C1 ZINC001267699122 838294042 /nfs/dbraw/zinc/29/40/42/838294042.db2.gz MYFSNXVCRUPIEM-CYBMUJFWSA-N 1 2 345.447 0.343 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C(C)C)C1 ZINC001267723794 838382464 /nfs/dbraw/zinc/38/24/64/838382464.db2.gz KKTLCHLAUGIRKJ-ZDUSSCGKSA-N 1 2 338.452 0.871 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(C)C)C1 ZINC001267723794 838382469 /nfs/dbraw/zinc/38/24/69/838382469.db2.gz KKTLCHLAUGIRKJ-ZDUSSCGKSA-N 1 2 338.452 0.871 20 30 ECEDLO CCn1c(C)cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)c1C ZINC001267744848 838448429 /nfs/dbraw/zinc/44/84/29/838448429.db2.gz MXHPNECZHSUOBP-CQSZACIVSA-N 1 2 331.420 0.569 20 30 ECEDLO CCn1c(C)cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)c1C ZINC001267744848 838448433 /nfs/dbraw/zinc/44/84/33/838448433.db2.gz MXHPNECZHSUOBP-CQSZACIVSA-N 1 2 331.420 0.569 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cccc(OC)n2)C1 ZINC001267750651 838469402 /nfs/dbraw/zinc/46/94/02/838469402.db2.gz KHQKYSRQSQYRLF-CHWSQXEVSA-N 1 2 332.404 0.585 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cccc(OC)n2)C1 ZINC001267750651 838469405 /nfs/dbraw/zinc/46/94/05/838469405.db2.gz KHQKYSRQSQYRLF-CHWSQXEVSA-N 1 2 332.404 0.585 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(CCC)c2C)C1 ZINC001267751018 838470998 /nfs/dbraw/zinc/47/09/98/838470998.db2.gz MEYSHZNBILLVIF-CQSZACIVSA-N 1 2 331.420 0.155 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(CCC)c2C)C1 ZINC001267751018 838471000 /nfs/dbraw/zinc/47/10/00/838471000.db2.gz MEYSHZNBILLVIF-CQSZACIVSA-N 1 2 331.420 0.155 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCOc2ccccc2)C1 ZINC001267754780 838477600 /nfs/dbraw/zinc/47/76/00/838477600.db2.gz RDTFAOQJSKIDIR-CQSZACIVSA-N 1 2 330.388 0.286 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCOc2ccccc2)C1 ZINC001267754780 838477602 /nfs/dbraw/zinc/47/76/02/838477602.db2.gz RDTFAOQJSKIDIR-CQSZACIVSA-N 1 2 330.388 0.286 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC2(F)F)C1 ZINC001267762629 838491680 /nfs/dbraw/zinc/49/16/80/838491680.db2.gz SFZZVZYKUJJWNV-WDEREUQCSA-N 1 2 344.362 0.186 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC2(F)F)C1 ZINC001267762629 838491683 /nfs/dbraw/zinc/49/16/83/838491683.db2.gz SFZZVZYKUJJWNV-WDEREUQCSA-N 1 2 344.362 0.186 20 30 ECEDLO CCN(C(=O)[C@H](C)CSC)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267785995 838562344 /nfs/dbraw/zinc/56/23/44/838562344.db2.gz SKRVYHFXBTWCGS-OLZOCXBDSA-N 1 2 326.466 0.548 20 30 ECEDLO CCN(C(=O)[C@H](C)CSC)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267785995 838562350 /nfs/dbraw/zinc/56/23/50/838562350.db2.gz SKRVYHFXBTWCGS-OLZOCXBDSA-N 1 2 326.466 0.548 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@](C)(C[NH2+]Cc2nnn(C)n2)C2CC2)cc1 ZINC001267858403 838656374 /nfs/dbraw/zinc/65/63/74/838656374.db2.gz AQIDIGWGLBTNLS-GOSISDBHSA-N 1 2 338.415 0.880 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)CCCC)C2)nn1 ZINC001105165135 838704903 /nfs/dbraw/zinc/70/49/03/838704903.db2.gz NHUTZLMJFKNHJI-ZDUSSCGKSA-N 1 2 346.435 0.079 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(C)nc3C)C2)nn1 ZINC001105196985 838756190 /nfs/dbraw/zinc/75/61/90/838756190.db2.gz AXPRZBNBRVGWSM-UHFFFAOYSA-N 1 2 327.392 0.130 20 30 ECEDLO C#CCCCC(=O)NC[C@H]1C[N@H+](Cc2ccn(C)c(=O)c2)CCO1 ZINC001268020850 838994588 /nfs/dbraw/zinc/99/45/88/838994588.db2.gz MNDGJQQOYDMGHL-INIZCTEOSA-N 1 2 331.416 0.506 20 30 ECEDLO C#CCCCC(=O)NC[C@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)CCO1 ZINC001268020850 838994593 /nfs/dbraw/zinc/99/45/93/838994593.db2.gz MNDGJQQOYDMGHL-INIZCTEOSA-N 1 2 331.416 0.506 20 30 ECEDLO Cn1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C#CC(C)(C)C)C2)cc1=O ZINC001268022468 839000912 /nfs/dbraw/zinc/00/09/12/839000912.db2.gz SBEYHLHRNKMNQN-INIZCTEOSA-N 1 2 345.443 0.752 20 30 ECEDLO Cn1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C#CC(C)(C)C)C2)cc1=O ZINC001268022468 839000924 /nfs/dbraw/zinc/00/09/24/839000924.db2.gz SBEYHLHRNKMNQN-INIZCTEOSA-N 1 2 345.443 0.752 20 30 ECEDLO C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)c2cnc(Cl)n2C)C1 ZINC001268022935 839002562 /nfs/dbraw/zinc/00/25/62/839002562.db2.gz ANCQTIBKQBWSSR-LBPRGKRZSA-N 1 2 342.827 0.707 20 30 ECEDLO C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)c2cnc(Cl)n2C)C1 ZINC001268022935 839002574 /nfs/dbraw/zinc/00/25/74/839002574.db2.gz ANCQTIBKQBWSSR-LBPRGKRZSA-N 1 2 342.827 0.707 20 30 ECEDLO C=CCOCC[N@@H+]1CCO[C@H](CNC(=O)c2cnc3n[nH]cc3c2)C1 ZINC001268024595 839014054 /nfs/dbraw/zinc/01/40/54/839014054.db2.gz JEUGMJIIYTURNV-OAHLLOKOSA-N 1 2 345.403 0.591 20 30 ECEDLO C=CCOCC[N@H+]1CCO[C@H](CNC(=O)c2cnc3n[nH]cc3c2)C1 ZINC001268024595 839014063 /nfs/dbraw/zinc/01/40/63/839014063.db2.gz JEUGMJIIYTURNV-OAHLLOKOSA-N 1 2 345.403 0.591 20 30 ECEDLO C[C@](O)(CC(=O)N1CCC2(C[NH+](CC(=O)NCC#N)C2)CC1)C1CC1 ZINC001268043761 839194921 /nfs/dbraw/zinc/19/49/21/839194921.db2.gz OHDMFVQJKSEOQR-KRWDZBQOSA-N 1 2 348.447 0.102 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNCc1ncnn1CCC ZINC001268066542 839254115 /nfs/dbraw/zinc/25/41/15/839254115.db2.gz AYZLZPWDMWOLLE-CVEARBPZSA-N 1 2 346.479 0.722 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNCc1ncnn1CCC ZINC001268066542 839254124 /nfs/dbraw/zinc/25/41/24/839254124.db2.gz AYZLZPWDMWOLLE-CVEARBPZSA-N 1 2 346.479 0.722 20 30 ECEDLO CC[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)CCO1 ZINC000427869356 210226320 /nfs/dbraw/zinc/22/63/20/210226320.db2.gz WGAGHXCRXTZZEA-CQSZACIVSA-N 1 2 348.378 0.863 20 30 ECEDLO CC[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)CCO1 ZINC000427869356 210226323 /nfs/dbraw/zinc/22/63/23/210226323.db2.gz WGAGHXCRXTZZEA-CQSZACIVSA-N 1 2 348.378 0.863 20 30 ECEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cc1 ZINC000355104314 299201864 /nfs/dbraw/zinc/20/18/64/299201864.db2.gz MDWVGCVUVQGSMB-CABCVRRESA-N 1 2 327.388 0.621 20 30 ECEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cc1 ZINC000355104314 299201866 /nfs/dbraw/zinc/20/18/66/299201866.db2.gz MDWVGCVUVQGSMB-CABCVRRESA-N 1 2 327.388 0.621 20 30 ECEDLO C#CCN(C)C(=O)C(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000297986404 202194675 /nfs/dbraw/zinc/19/46/75/202194675.db2.gz YXALESOUFIVOJC-UHFFFAOYSA-N 1 2 343.427 0.821 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000298178116 202253029 /nfs/dbraw/zinc/25/30/29/202253029.db2.gz XIJWBFCQGQEJMB-AWEZNQCLSA-N 1 2 329.466 0.543 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000298178116 202253032 /nfs/dbraw/zinc/25/30/32/202253032.db2.gz XIJWBFCQGQEJMB-AWEZNQCLSA-N 1 2 329.466 0.543 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000076969207 201181627 /nfs/dbraw/zinc/18/16/27/201181627.db2.gz LSTYQCNQVSCDAW-HNNXBMFYSA-N 1 2 343.431 0.990 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000076969207 201181631 /nfs/dbraw/zinc/18/16/31/201181631.db2.gz LSTYQCNQVSCDAW-HNNXBMFYSA-N 1 2 343.431 0.990 20 30 ECEDLO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)cc1 ZINC000264603253 201212587 /nfs/dbraw/zinc/21/25/87/201212587.db2.gz CIPMSZNWVFKTTN-MRXNPFEDSA-N 1 2 345.447 0.970 20 30 ECEDLO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)cc1 ZINC000264603253 201212592 /nfs/dbraw/zinc/21/25/92/201212592.db2.gz CIPMSZNWVFKTTN-MRXNPFEDSA-N 1 2 345.447 0.970 20 30 ECEDLO C=CCOc1ccc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1OC ZINC000271224862 201243434 /nfs/dbraw/zinc/24/34/34/201243434.db2.gz AECDZJBVXAPKLM-CQSZACIVSA-N 1 2 345.399 0.403 20 30 ECEDLO C=CCOc1ccc(C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1OC ZINC000271224862 201243438 /nfs/dbraw/zinc/24/34/38/201243438.db2.gz AECDZJBVXAPKLM-CQSZACIVSA-N 1 2 345.399 0.403 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000270761930 201240881 /nfs/dbraw/zinc/24/08/81/201240881.db2.gz YENMWOQRGQSXRX-KBPBESRZSA-N 1 2 339.436 0.411 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+](C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000270761930 201240884 /nfs/dbraw/zinc/24/08/84/201240884.db2.gz YENMWOQRGQSXRX-KBPBESRZSA-N 1 2 339.436 0.411 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000272863035 201258388 /nfs/dbraw/zinc/25/83/88/201258388.db2.gz QCTGFFYFKZRHEF-GFCCVEGCSA-N 1 2 326.422 0.900 20 30 ECEDLO O=C(C[NH+]1C[C@H](O)[C@@H](O)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000278583077 201304327 /nfs/dbraw/zinc/30/43/27/201304327.db2.gz CWJFXNOKLOZZQT-KBPBESRZSA-N 1 2 342.317 0.211 20 30 ECEDLO CN(Cc1c(C#N)cccc1[N+](=O)[O-])C[C@H](O)C[NH+]1CCOCC1 ZINC000459353510 211833205 /nfs/dbraw/zinc/83/32/05/211833205.db2.gz ZJCFTHUHAYZNOU-AWEZNQCLSA-N 1 2 334.376 0.591 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC(=O)N1CCCCC1 ZINC000155520391 206013502 /nfs/dbraw/zinc/01/35/02/206013502.db2.gz FSGAKRBLMDLDPG-CQSZACIVSA-N 1 2 328.420 0.871 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CC(=O)N1CCCCC1 ZINC000155520391 206013508 /nfs/dbraw/zinc/01/35/08/206013508.db2.gz FSGAKRBLMDLDPG-CQSZACIVSA-N 1 2 328.420 0.871 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000155722182 206030097 /nfs/dbraw/zinc/03/00/97/206030097.db2.gz YUAUVHUMHYFSJD-LBPRGKRZSA-N 1 2 342.363 0.664 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000155722182 206030101 /nfs/dbraw/zinc/03/01/01/206030101.db2.gz YUAUVHUMHYFSJD-LBPRGKRZSA-N 1 2 342.363 0.664 20 30 ECEDLO N#Cc1cccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000265504449 247559736 /nfs/dbraw/zinc/55/97/36/247559736.db2.gz QMJBYMZBVXVRJQ-MRXNPFEDSA-N 1 2 342.399 0.221 20 30 ECEDLO COc1cc(C[NH+]2CCN(c3nccn(C)c3=O)CC2)ccc1C#N ZINC000442892563 210969886 /nfs/dbraw/zinc/96/98/86/210969886.db2.gz VMWSIZQUXHYOKC-UHFFFAOYSA-N 1 2 339.399 0.983 20 30 ECEDLO Cn1cc([C@@H]2[C@@H](C(=O)NCC[NH+]3CCOCC3)CCC(=O)N2C)cn1 ZINC000329279440 254603648 /nfs/dbraw/zinc/60/36/48/254603648.db2.gz DFYKCVJBSDVXPY-GOEBONIOSA-N 1 2 349.435 0.618 20 30 ECEDLO N#C[C@@H]1CN(S(=O)(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)CCO1 ZINC000336948520 254661670 /nfs/dbraw/zinc/66/16/70/254661670.db2.gz QOXFKJYQMFLRER-CQSZACIVSA-N 1 2 347.400 0.635 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC3(COC(=O)N3)CC2)c1 ZINC000495291300 255002533 /nfs/dbraw/zinc/00/25/33/255002533.db2.gz GWJUZVXNZLRHBG-UHFFFAOYSA-N 1 2 349.412 0.906 20 30 ECEDLO C=CCONC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000495977434 255060244 /nfs/dbraw/zinc/06/02/44/255060244.db2.gz DJQNASGJFPBOKG-GFCCVEGCSA-N 1 2 328.413 0.954 20 30 ECEDLO C=CCONC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000495977434 255060246 /nfs/dbraw/zinc/06/02/46/255060246.db2.gz DJQNASGJFPBOKG-GFCCVEGCSA-N 1 2 328.413 0.954 20 30 ECEDLO CO[C@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000496772987 255128701 /nfs/dbraw/zinc/12/87/01/255128701.db2.gz HDAYEMKNCGGJGL-ABAIWWIYSA-N 1 2 328.413 0.486 20 30 ECEDLO C[C@H]1C(NNc2ccc(C(N)=O)n[nH+]2)=CC(=O)N1C(=O)OC(C)(C)C ZINC000496957209 255145059 /nfs/dbraw/zinc/14/50/59/255145059.db2.gz QHAUYQWLVAARBE-QMMMGPOBSA-N 1 2 348.363 0.899 20 30 ECEDLO N#Cc1ccsc1NC(=O)C[N@H+](CCO)CCN1CCOCC1 ZINC000086231291 263143193 /nfs/dbraw/zinc/14/31/93/263143193.db2.gz RYUSAAHZIIIHNJ-UHFFFAOYSA-N 1 2 338.433 0.185 20 30 ECEDLO N#Cc1ccsc1NC(=O)C[N@@H+](CCO)CCN1CCOCC1 ZINC000086231291 263143194 /nfs/dbraw/zinc/14/31/94/263143194.db2.gz RYUSAAHZIIIHNJ-UHFFFAOYSA-N 1 2 338.433 0.185 20 30 ECEDLO N#Cc1ccc(N2CCN(C(=O)NCC[NH+]3CCOCC3)CC2)nc1 ZINC000194134326 263168391 /nfs/dbraw/zinc/16/83/91/263168391.db2.gz SMPDONVTYBOUSM-UHFFFAOYSA-N 1 2 344.419 0.117 20 30 ECEDLO Cn1cnc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000271086931 263298473 /nfs/dbraw/zinc/29/84/73/263298473.db2.gz CTQWNMJFQLDMQY-UHFFFAOYSA-N 1 2 339.403 0.714 20 30 ECEDLO C[C@@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1ccc(C#N)cc1 ZINC000271669650 263321957 /nfs/dbraw/zinc/32/19/57/263321957.db2.gz MVBYAWLEYFZMPD-SNVBAGLBSA-N 1 2 338.371 0.683 20 30 ECEDLO Cc1nc(N2CCN(S(=O)(=O)c3cccnc3C#N)CC2)cc[nH+]1 ZINC000277215712 270005567 /nfs/dbraw/zinc/00/55/67/270005567.db2.gz RDYDFVWUJYXYHS-UHFFFAOYSA-N 1 2 344.400 0.563 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)cc1 ZINC000332127753 270005613 /nfs/dbraw/zinc/00/56/13/270005613.db2.gz NLQQBGKYCKFEMX-INIZCTEOSA-N 1 2 326.400 0.729 20 30 ECEDLO CCN1CCN(S(=O)(=O)c2ccc(C#N)nc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000332271543 270005684 /nfs/dbraw/zinc/00/56/84/270005684.db2.gz GRWKUMKWBFCTEX-AWEZNQCLSA-N 1 2 346.416 0.744 20 30 ECEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000355293753 266153750 /nfs/dbraw/zinc/15/37/50/266153750.db2.gz FRPUAUUXIHGQAZ-OAHLLOKOSA-N 1 2 329.404 0.323 20 30 ECEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000355293753 266153753 /nfs/dbraw/zinc/15/37/53/266153753.db2.gz FRPUAUUXIHGQAZ-OAHLLOKOSA-N 1 2 329.404 0.323 20 30 ECEDLO C[C@@H]1CN(C(=O)C[NH+]2CCN(c3cccc(C#N)n3)CC2)C[C@H](C)O1 ZINC000355099504 267038404 /nfs/dbraw/zinc/03/84/04/267038404.db2.gz NJNMFGDZYBTYRJ-GASCZTMLSA-N 1 2 343.431 0.711 20 30 ECEDLO C[C@@H]1CN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC[N@@H+]1CCO ZINC000336983111 267043463 /nfs/dbraw/zinc/04/34/63/267043463.db2.gz BRFHIOGXKKHKAB-CQSZACIVSA-N 1 2 339.399 0.883 20 30 ECEDLO C[C@@H]1CN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC[N@H+]1CCO ZINC000336983111 267043467 /nfs/dbraw/zinc/04/34/67/267043467.db2.gz BRFHIOGXKKHKAB-CQSZACIVSA-N 1 2 339.399 0.883 20 30 ECEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000290650213 267108317 /nfs/dbraw/zinc/10/83/17/267108317.db2.gz AFICTHRZVQQSBZ-CZUORRHYSA-N 1 2 342.399 0.818 20 30 ECEDLO C[C@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)n1cnc(C#N)n1 ZINC000336886323 267130098 /nfs/dbraw/zinc/13/00/98/267130098.db2.gz JZBMNUXCPVDCMO-GFCCVEGCSA-N 1 2 325.376 0.891 20 30 ECEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355110678 267131483 /nfs/dbraw/zinc/13/14/83/267131483.db2.gz WUMKFOCOPJYAKN-ZBFHGGJFSA-N 1 2 343.431 0.759 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H](C(=O)N3CC[NH+](CCO)CC3)C2)c(F)c1 ZINC000286122647 268122632 /nfs/dbraw/zinc/12/26/32/268122632.db2.gz SMVOYSYGMQSIJN-OAHLLOKOSA-N 1 2 346.406 0.660 20 30 ECEDLO N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1F ZINC000354494693 268135614 /nfs/dbraw/zinc/13/56/14/268135614.db2.gz DKKUZZNGFZRISK-GFCCVEGCSA-N 1 2 327.319 0.964 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)cn1 ZINC000372342460 268203338 /nfs/dbraw/zinc/20/33/38/268203338.db2.gz TVFDDBROIXEPNF-UONOGXRCSA-N 1 2 336.417 0.485 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)cn1 ZINC000372342460 268203339 /nfs/dbraw/zinc/20/33/39/268203339.db2.gz TVFDDBROIXEPNF-UONOGXRCSA-N 1 2 336.417 0.485 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)s1 ZINC000373820679 268203570 /nfs/dbraw/zinc/20/35/70/268203570.db2.gz XZOLXZJITCYXST-NSHDSACASA-N 1 2 327.431 0.761 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)s1 ZINC000373820679 268203574 /nfs/dbraw/zinc/20/35/74/268203574.db2.gz XZOLXZJITCYXST-NSHDSACASA-N 1 2 327.431 0.761 20 30 ECEDLO N#Cc1cccc(CNC(=O)CN2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000358449379 268249890 /nfs/dbraw/zinc/24/98/90/268249890.db2.gz MMYPMCYRCJKSQA-UHFFFAOYSA-N 1 2 338.415 0.715 20 30 ECEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@](O)(C(N)=O)C2)C1=O ZINC000286159425 268304613 /nfs/dbraw/zinc/30/46/13/268304613.db2.gz LSCPCOOVEFPWFE-NHYWBVRUSA-N 1 2 334.401 0.037 20 30 ECEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@](O)(C(N)=O)C2)C1=O ZINC000286159425 268304615 /nfs/dbraw/zinc/30/46/15/268304615.db2.gz LSCPCOOVEFPWFE-NHYWBVRUSA-N 1 2 334.401 0.037 20 30 ECEDLO N#Cc1nc(N2CC[NH+](CC(=O)N3CCOCC3)CC2)ccc1Cl ZINC000299673395 268323596 /nfs/dbraw/zinc/32/35/96/268323596.db2.gz STFXQYMUCUBVHL-UHFFFAOYSA-N 1 2 349.822 0.587 20 30 ECEDLO C#CCC[NH+]1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000272730876 275716250 /nfs/dbraw/zinc/71/62/50/275716250.db2.gz AFVAOFURAUUCSG-UHFFFAOYSA-N 1 2 338.389 0.388 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC000425480103 277869374 /nfs/dbraw/zinc/86/93/74/277869374.db2.gz DWJYSKNKCSPOQL-DTWKUNHWSA-N 1 2 340.405 0.981 20 30 ECEDLO N#Cc1cc(S(=O)(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)ccc1F ZINC000330761041 437608503 /nfs/dbraw/zinc/60/85/03/437608503.db2.gz NDZMLWPKZKAGGG-UHFFFAOYSA-N 1 2 349.391 0.927 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)[C@H](C)C1 ZINC000408404512 290115629 /nfs/dbraw/zinc/11/56/29/290115629.db2.gz OMCDBXYGLJFHOR-MNOVXSKESA-N 1 2 329.447 0.695 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)[C@H](C)C1 ZINC000408404512 290115631 /nfs/dbraw/zinc/11/56/31/290115631.db2.gz OMCDBXYGLJFHOR-MNOVXSKESA-N 1 2 329.447 0.695 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc(F)cc1C#N ZINC000416671020 297007329 /nfs/dbraw/zinc/00/73/29/297007329.db2.gz VBCUEVWRRVYYFN-NWDGAFQWSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc(F)cc1C#N ZINC000416671020 297007330 /nfs/dbraw/zinc/00/73/30/297007330.db2.gz VBCUEVWRRVYYFN-NWDGAFQWSA-N 1 2 341.408 0.773 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000330811791 437621177 /nfs/dbraw/zinc/62/11/77/437621177.db2.gz DWCJUAFQBXNHCF-DYEKYZERSA-N 1 2 330.454 0.182 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000330811791 437621179 /nfs/dbraw/zinc/62/11/79/437621179.db2.gz DWCJUAFQBXNHCF-DYEKYZERSA-N 1 2 330.454 0.182 20 30 ECEDLO C[C@H](NC(=O)c1ccco1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000072622549 436048577 /nfs/dbraw/zinc/04/85/77/436048577.db2.gz TVNCQLVHARMVMD-AWEZNQCLSA-N 1 2 348.403 0.472 20 30 ECEDLO C=CC[NH+]1CCC(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[nH]2)CC1 ZINC000073436597 436078118 /nfs/dbraw/zinc/07/81/18/436078118.db2.gz QMMXOCOLEYYPRX-UHFFFAOYSA-N 1 2 343.387 0.712 20 30 ECEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000073870478 436097456 /nfs/dbraw/zinc/09/74/56/436097456.db2.gz CSDXOWYVRYRMJB-LLVKDONJSA-N 1 2 344.375 0.651 20 30 ECEDLO N#Cc1cccc(C[NH+]2CCN(CC(=O)N3CCOCC3)CC2)c1 ZINC000023289110 436123929 /nfs/dbraw/zinc/12/39/29/436123929.db2.gz INOTXMBDALTHPF-UHFFFAOYSA-N 1 2 328.416 0.535 20 30 ECEDLO N#Cc1cccc(CN2CC[NH+](CC(=O)N3CCOCC3)CC2)c1 ZINC000023289110 436123932 /nfs/dbraw/zinc/12/39/32/436123932.db2.gz INOTXMBDALTHPF-UHFFFAOYSA-N 1 2 328.416 0.535 20 30 ECEDLO CCNC(=O)C[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000029669432 436205513 /nfs/dbraw/zinc/20/55/13/436205513.db2.gz MNRBKGNFAVBBOX-AWEZNQCLSA-N 1 2 343.431 0.639 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000078794842 436277194 /nfs/dbraw/zinc/27/71/94/436277194.db2.gz UUWRDHOASPWLSS-CYBMUJFWSA-N 1 2 342.403 0.476 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+]([C@H](C)C(=O)N(CC)CC(=C)C)CC1 ZINC000042541494 436307241 /nfs/dbraw/zinc/30/72/41/436307241.db2.gz OAJSZJZSSXCDFM-MRXNPFEDSA-N 1 2 336.480 0.719 20 30 ECEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)C[C@H](O)CN1CCOCC1 ZINC000083245009 436369805 /nfs/dbraw/zinc/36/98/05/436369805.db2.gz PWJBPDJAQIYPML-ZDUSSCGKSA-N 1 2 338.433 0.183 20 30 ECEDLO C[N@H+](CC(=O)Nc1sccc1C#N)C[C@H](O)CN1CCOCC1 ZINC000083245009 436369809 /nfs/dbraw/zinc/36/98/09/436369809.db2.gz PWJBPDJAQIYPML-ZDUSSCGKSA-N 1 2 338.433 0.183 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CON=C2CCN(C(=O)C(C)C)CC2)CC1 ZINC000089125466 436406219 /nfs/dbraw/zinc/40/62/19/436406219.db2.gz LAKDJQCNSKTUET-UHFFFAOYSA-N 1 2 348.447 0.415 20 30 ECEDLO CC(=O)N1CC[NH+](CCNC(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000089744426 436416082 /nfs/dbraw/zinc/41/60/82/436416082.db2.gz NECASTNWUGBULN-UHFFFAOYSA-N 1 2 344.415 0.412 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000051734642 436496084 /nfs/dbraw/zinc/49/60/84/436496084.db2.gz HMPHSASGNJDGMY-UKRRQHHQSA-N 1 2 344.481 0.445 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000051734642 436496086 /nfs/dbraw/zinc/49/60/86/436496086.db2.gz HMPHSASGNJDGMY-UKRRQHHQSA-N 1 2 344.481 0.445 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CC(=O)N2CCCC[C@H]2CC)CC1 ZINC000053423442 436532570 /nfs/dbraw/zinc/53/25/70/436532570.db2.gz LBHCTUYWOJEQJN-MRXNPFEDSA-N 1 2 336.480 0.697 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2cccc3c2OCCO3)CC1 ZINC000054173154 436547381 /nfs/dbraw/zinc/54/73/81/436547381.db2.gz DEJBQKUECCJTCH-UHFFFAOYSA-N 1 2 331.416 0.878 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cccc3c2OCCO3)CC1 ZINC000054173154 436547385 /nfs/dbraw/zinc/54/73/85/436547385.db2.gz DEJBQKUECCJTCH-UHFFFAOYSA-N 1 2 331.416 0.878 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)Oc2ccccc2)CC1 ZINC000104007909 436555424 /nfs/dbraw/zinc/55/54/24/436555424.db2.gz PDZFVNQUNAALOA-MRXNPFEDSA-N 1 2 343.427 0.738 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)Oc2ccccc2)CC1 ZINC000104007909 436555426 /nfs/dbraw/zinc/55/54/26/436555426.db2.gz PDZFVNQUNAALOA-MRXNPFEDSA-N 1 2 343.427 0.738 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(OC)cc2F)CC1 ZINC000104007887 436555967 /nfs/dbraw/zinc/55/59/67/436555967.db2.gz VPKYPTJSABTONW-UHFFFAOYSA-N 1 2 347.390 0.732 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(OC)cc2F)CC1 ZINC000104007887 436555970 /nfs/dbraw/zinc/55/59/70/436555970.db2.gz VPKYPTJSABTONW-UHFFFAOYSA-N 1 2 347.390 0.732 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Cl)nc2)CC1 ZINC000104132980 436558016 /nfs/dbraw/zinc/55/80/16/436558016.db2.gz CBYLTDIBWILDRC-UHFFFAOYSA-N 1 2 334.807 0.632 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Cl)nc2)CC1 ZINC000104132980 436558019 /nfs/dbraw/zinc/55/80/19/436558019.db2.gz CBYLTDIBWILDRC-UHFFFAOYSA-N 1 2 334.807 0.632 20 30 ECEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCN(CC(N)=O)CC1 ZINC000107676933 436613270 /nfs/dbraw/zinc/61/32/70/436613270.db2.gz YYARYODPCRSXKG-CSLYMUCUSA-N 1 2 349.479 0.409 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(C(=O)NCCC)cn2)CC1 ZINC000112513465 436633010 /nfs/dbraw/zinc/63/30/10/436633010.db2.gz ZKIOQGJCINGZAU-UHFFFAOYSA-N 1 2 345.447 0.646 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000058925375 436629823 /nfs/dbraw/zinc/62/98/23/436629823.db2.gz YZBRSSNTNUKGLF-CYBMUJFWSA-N 1 2 344.481 0.350 20 30 ECEDLO N#Cc1ccc([C@@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2=O)C(N)=O)cc1 ZINC000115600159 436647702 /nfs/dbraw/zinc/64/77/02/436647702.db2.gz NMNRONLLZCBYNE-NWDGAFQWSA-N 1 2 340.305 0.837 20 30 ECEDLO C[C@H](CNS(=O)(=O)c1ccc(C#N)cc1F)C[NH+]1CCOCC1 ZINC000151218124 436697933 /nfs/dbraw/zinc/69/79/33/436697933.db2.gz MYQXMTUDFKYQAQ-GFCCVEGCSA-N 1 2 341.408 0.944 20 30 ECEDLO CC1(C)C[N@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cc2F)CCO1 ZINC000269360345 436664150 /nfs/dbraw/zinc/66/41/50/436664150.db2.gz VJPQXAJZJRZNJQ-UHFFFAOYSA-N 1 2 348.378 0.863 20 30 ECEDLO CC1(C)C[N@@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cc2F)CCO1 ZINC000269360345 436664153 /nfs/dbraw/zinc/66/41/53/436664153.db2.gz VJPQXAJZJRZNJQ-UHFFFAOYSA-N 1 2 348.378 0.863 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Nc2ccc(N3CCOCC3)nc2)CC1 ZINC000195216592 436684346 /nfs/dbraw/zinc/68/43/46/436684346.db2.gz SVJHNCPURVQWIY-UHFFFAOYSA-N 1 2 329.404 0.701 20 30 ECEDLO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCN(C(=O)CO)CC1 ZINC000152764971 436739757 /nfs/dbraw/zinc/73/97/57/436739757.db2.gz DFRHENFKTHHGGZ-INIZCTEOSA-N 1 2 334.416 0.291 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCN(CC(F)(F)F)[C@@H](C)C2)CC1 ZINC000128377296 436815302 /nfs/dbraw/zinc/81/53/02/436815302.db2.gz QDCUXWGHVOUUTE-AWEZNQCLSA-N 1 2 346.397 0.332 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000273587918 436769283 /nfs/dbraw/zinc/76/92/83/436769283.db2.gz FTMBENHUSPVIGF-LLVKDONJSA-N 1 2 336.371 0.138 20 30 ECEDLO COC[C@H]1C[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CCO1 ZINC000246223562 436775591 /nfs/dbraw/zinc/77/55/91/436775591.db2.gz ZUUCOYBKDANCAQ-CVEARBPZSA-N 1 2 338.452 0.026 20 30 ECEDLO COC[C@H]1C[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CCO1 ZINC000246223562 436775593 /nfs/dbraw/zinc/77/55/93/436775593.db2.gz ZUUCOYBKDANCAQ-CVEARBPZSA-N 1 2 338.452 0.026 20 30 ECEDLO COC(=O)Cn1cc(CC[N@H+](CCC#N)Cc2ccccn2)nn1 ZINC000154602731 436782508 /nfs/dbraw/zinc/78/25/08/436782508.db2.gz JHQJDIRHELOSDV-UHFFFAOYSA-N 1 2 328.376 0.804 20 30 ECEDLO COC(=O)Cn1cc(CC[N@@H+](CCC#N)Cc2ccccn2)nn1 ZINC000154602731 436782510 /nfs/dbraw/zinc/78/25/10/436782510.db2.gz JHQJDIRHELOSDV-UHFFFAOYSA-N 1 2 328.376 0.804 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNC2(C(=O)OC)CCCCCC2)CC1 ZINC000154781743 436785338 /nfs/dbraw/zinc/78/53/38/436785338.db2.gz UIIOTTVCIWMGRL-UHFFFAOYSA-N 1 2 335.448 0.619 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000246913013 436786920 /nfs/dbraw/zinc/78/69/20/436786920.db2.gz MSBDHSOLAYJPAU-ZIAGYGMSSA-N 1 2 342.465 0.247 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000246913013 436786921 /nfs/dbraw/zinc/78/69/21/436786921.db2.gz MSBDHSOLAYJPAU-ZIAGYGMSSA-N 1 2 342.465 0.247 20 30 ECEDLO COc1ccc(C#N)cc1CN1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000155173278 436791805 /nfs/dbraw/zinc/79/18/05/436791805.db2.gz AJZONQABBBNVEJ-UHFFFAOYSA-N 1 2 328.416 0.963 20 30 ECEDLO COc1ccc(C#N)cc1C[NH+]1CCN(CC(=O)NC2CC2)CC1 ZINC000155173278 436791807 /nfs/dbraw/zinc/79/18/07/436791807.db2.gz AJZONQABBBNVEJ-UHFFFAOYSA-N 1 2 328.416 0.963 20 30 ECEDLO CCNC(=O)C[N@@H+]1CCCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000133071518 436871402 /nfs/dbraw/zinc/87/14/02/436871402.db2.gz LAEJWGRTIMUDDH-UHFFFAOYSA-N 1 2 332.364 0.510 20 30 ECEDLO CCNC(=O)C[N@H+]1CCCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000133071518 436871405 /nfs/dbraw/zinc/87/14/05/436871405.db2.gz LAEJWGRTIMUDDH-UHFFFAOYSA-N 1 2 332.364 0.510 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279744387 436836285 /nfs/dbraw/zinc/83/62/85/436836285.db2.gz KUNDXEPOGCWGMM-OLZOCXBDSA-N 1 2 325.409 0.657 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279744387 436836290 /nfs/dbraw/zinc/83/62/90/436836290.db2.gz KUNDXEPOGCWGMM-OLZOCXBDSA-N 1 2 325.409 0.657 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279744385 436836325 /nfs/dbraw/zinc/83/63/25/436836325.db2.gz KUNDXEPOGCWGMM-CHWSQXEVSA-N 1 2 325.409 0.657 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279744385 436836329 /nfs/dbraw/zinc/83/63/29/436836329.db2.gz KUNDXEPOGCWGMM-CHWSQXEVSA-N 1 2 325.409 0.657 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000280261679 436875766 /nfs/dbraw/zinc/87/57/66/436875766.db2.gz XTHZLQMXGQMLFH-CHWSQXEVSA-N 1 2 334.424 0.109 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000280261679 436875771 /nfs/dbraw/zinc/87/57/71/436875771.db2.gz XTHZLQMXGQMLFH-CHWSQXEVSA-N 1 2 334.424 0.109 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000134335741 436895000 /nfs/dbraw/zinc/89/50/00/436895000.db2.gz VVAWKLNPXGSPFQ-CQSZACIVSA-N 1 2 331.482 0.813 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000134335741 436895004 /nfs/dbraw/zinc/89/50/04/436895004.db2.gz VVAWKLNPXGSPFQ-CQSZACIVSA-N 1 2 331.482 0.813 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCCN(c3cnn(C)c3)C2=O)C1=O ZINC000281457925 436971399 /nfs/dbraw/zinc/97/13/99/436971399.db2.gz VATCRFSXJYNBEA-GJZGRUSLSA-N 1 2 331.420 0.634 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(c3cnn(C)c3)C2=O)C1=O ZINC000281457925 436971402 /nfs/dbraw/zinc/97/14/02/436971402.db2.gz VATCRFSXJYNBEA-GJZGRUSLSA-N 1 2 331.420 0.634 20 30 ECEDLO N#C[C@H]1CN(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CCO1 ZINC000171593289 436981642 /nfs/dbraw/zinc/98/16/42/436981642.db2.gz BZNZJTVMXWKUBN-IRXDYDNUSA-N 1 2 344.415 0.994 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NC(=O)NCC(F)(F)F)C1=O ZINC000281319291 436961002 /nfs/dbraw/zinc/96/10/02/436961002.db2.gz LCKPXBFTZYCUNZ-SECBINFHSA-N 1 2 336.314 0.093 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NC(=O)NCC(F)(F)F)C1=O ZINC000281319291 436961005 /nfs/dbraw/zinc/96/10/05/436961005.db2.gz LCKPXBFTZYCUNZ-SECBINFHSA-N 1 2 336.314 0.093 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(N(C)C)c2)CC1 ZINC000170899100 436961013 /nfs/dbraw/zinc/96/10/13/436961013.db2.gz FAAVJYKLYHWQRB-UHFFFAOYSA-N 1 2 342.443 0.650 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(N(C)C)c2)CC1 ZINC000170899100 436961015 /nfs/dbraw/zinc/96/10/15/436961015.db2.gz FAAVJYKLYHWQRB-UHFFFAOYSA-N 1 2 342.443 0.650 20 30 ECEDLO COCCN(CCC#N)S(=O)(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000282742031 437020114 /nfs/dbraw/zinc/02/01/14/437020114.db2.gz FNEVQHHYELELJN-UHFFFAOYSA-N 1 2 341.437 0.344 20 30 ECEDLO CN(C)C(=O)O[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000296594001 436994350 /nfs/dbraw/zinc/99/43/50/436994350.db2.gz FSEBEXSATSKOGM-OAHLLOKOSA-N 1 2 330.388 0.947 20 30 ECEDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000296594001 436994352 /nfs/dbraw/zinc/99/43/52/436994352.db2.gz FSEBEXSATSKOGM-OAHLLOKOSA-N 1 2 330.388 0.947 20 30 ECEDLO C#CCOc1ccc(CNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)cc1 ZINC000296712594 436998721 /nfs/dbraw/zinc/99/87/21/436998721.db2.gz SWVGNKVHFFPWEK-MRXNPFEDSA-N 1 2 330.432 0.744 20 30 ECEDLO C#CCOc1ccc(CNC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)cc1 ZINC000296712594 436998726 /nfs/dbraw/zinc/99/87/26/436998726.db2.gz SWVGNKVHFFPWEK-MRXNPFEDSA-N 1 2 330.432 0.744 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)C1=O ZINC000281893449 437005872 /nfs/dbraw/zinc/00/58/72/437005872.db2.gz DXUKWKWXTWXXIV-MRXNPFEDSA-N 1 2 329.400 0.937 20 30 ECEDLO C=CCOCCCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000173231697 437043323 /nfs/dbraw/zinc/04/33/23/437043323.db2.gz IUPYEYWNZXRNQB-UHFFFAOYSA-N 1 2 344.419 0.995 20 30 ECEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)N[C@@H]2CCCn3ncnc32)CCN1C ZINC000329977372 303006222 /nfs/dbraw/zinc/00/62/22/303006222.db2.gz ZPFFXROQOJGJMD-CHWSQXEVSA-N 1 2 344.423 0.749 20 30 ECEDLO N#C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@]12C(=O)Nc1ccccc12 ZINC000338248996 303162232 /nfs/dbraw/zinc/16/22/32/303162232.db2.gz BKMCCRBLJJHTOD-GLJUWKHASA-N 1 2 337.383 0.589 20 30 ECEDLO N#C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@]12C(=O)Nc1ccccc12 ZINC000338248996 303162234 /nfs/dbraw/zinc/16/22/34/303162234.db2.gz BKMCCRBLJJHTOD-GLJUWKHASA-N 1 2 337.383 0.589 20 30 ECEDLO CN(C(=O)CN(CCC#N)CC[NH+]1CCOCC1)c1nccs1 ZINC000174830686 437086728 /nfs/dbraw/zinc/08/67/28/437086728.db2.gz WWNMIFJEFJBGHB-UHFFFAOYSA-N 1 2 337.449 0.654 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000265272656 437104865 /nfs/dbraw/zinc/10/48/65/437104865.db2.gz UZFVRTWLWLSQJW-UHFFFAOYSA-N 1 2 331.376 0.560 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000265272656 437104870 /nfs/dbraw/zinc/10/48/70/437104870.db2.gz UZFVRTWLWLSQJW-UHFFFAOYSA-N 1 2 331.376 0.560 20 30 ECEDLO C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(C[C@H](O)C[N@H+](C)CCC#N)C2=O ZINC000331711660 437148541 /nfs/dbraw/zinc/14/85/41/437148541.db2.gz YRYVZLKUDOAFNG-MGPQQGTHSA-N 1 2 336.436 0.939 20 30 ECEDLO C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(C[C@H](O)C[N@@H+](C)CCC#N)C2=O ZINC000331711660 437148547 /nfs/dbraw/zinc/14/85/47/437148547.db2.gz YRYVZLKUDOAFNG-MGPQQGTHSA-N 1 2 336.436 0.939 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000178183694 437207551 /nfs/dbraw/zinc/20/75/51/437207551.db2.gz VRESOSUEODBHCU-UHFFFAOYSA-N 1 2 347.375 0.865 20 30 ECEDLO Cc1nc(C(=O)N2CC[NH+](CCn3cncn3)CC2)ccc1C#N ZINC000332262269 437209531 /nfs/dbraw/zinc/20/95/31/437209531.db2.gz GPBYVARXFCJILP-UHFFFAOYSA-N 1 2 325.376 0.311 20 30 ECEDLO O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000328810995 437267376 /nfs/dbraw/zinc/26/73/76/437267376.db2.gz MQQIAEVWWPFPBM-ZNMIVQPWSA-N 1 2 339.436 0.427 20 30 ECEDLO C=CCOc1cccc(NC(=O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000178964511 437243594 /nfs/dbraw/zinc/24/35/94/437243594.db2.gz UXHJPJRXHUNBFL-OAHLLOKOSA-N 1 2 344.415 0.306 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN([C@H](C)C(=O)NC3CCCC3)CC2)C1=O ZINC000332685953 437244350 /nfs/dbraw/zinc/24/43/50/437244350.db2.gz IKIWJHBLIDCMQB-NVXWUHKLSA-N 1 2 348.491 0.838 20 30 ECEDLO C[S@](=O)C1(CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000328677798 437250232 /nfs/dbraw/zinc/25/02/32/437250232.db2.gz SKLUGZBGYMVVFG-PSLXWICFSA-N 1 2 343.493 0.856 20 30 ECEDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)ccc1C#N ZINC000277822702 437257478 /nfs/dbraw/zinc/25/74/78/437257478.db2.gz JCOBAKZJVZDEGX-UONOGXRCSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)ccc1C#N ZINC000277822702 437257482 /nfs/dbraw/zinc/25/74/82/437257482.db2.gz JCOBAKZJVZDEGX-UONOGXRCSA-N 1 2 337.445 0.942 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000328784394 437262360 /nfs/dbraw/zinc/26/23/60/437262360.db2.gz NVUWJJQMZCVSOA-NEPJUHHUSA-N 1 2 339.358 0.927 20 30 ECEDLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000336890334 437306871 /nfs/dbraw/zinc/30/68/71/437306871.db2.gz NOEOWMYWHGVKTF-XHDPSFHLSA-N 1 2 342.355 0.949 20 30 ECEDLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000336890334 437306876 /nfs/dbraw/zinc/30/68/76/437306876.db2.gz NOEOWMYWHGVKTF-XHDPSFHLSA-N 1 2 342.355 0.949 20 30 ECEDLO N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000179651211 437270759 /nfs/dbraw/zinc/27/07/59/437270759.db2.gz ZWSUSJNTEAMVMX-UHFFFAOYSA-N 1 2 331.401 0.788 20 30 ECEDLO N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000179651211 437270762 /nfs/dbraw/zinc/27/07/62/437270762.db2.gz ZWSUSJNTEAMVMX-UHFFFAOYSA-N 1 2 331.401 0.788 20 30 ECEDLO CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328869285 437275292 /nfs/dbraw/zinc/27/52/92/437275292.db2.gz HOMVZWPZVGTEFU-IHRRRGAJSA-N 1 2 348.451 0.994 20 30 ECEDLO CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328869285 437275296 /nfs/dbraw/zinc/27/52/96/437275296.db2.gz HOMVZWPZVGTEFU-IHRRRGAJSA-N 1 2 348.451 0.994 20 30 ECEDLO Cc1nn(C)c(C)c1CCNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328880278 437277698 /nfs/dbraw/zinc/27/76/98/437277698.db2.gz LSZZKQOLGDRCTE-HOTGVXAUSA-N 1 2 335.452 0.898 20 30 ECEDLO Cc1nn(C)c(C)c1CCNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328880278 437277702 /nfs/dbraw/zinc/27/77/02/437277702.db2.gz LSZZKQOLGDRCTE-HOTGVXAUSA-N 1 2 335.452 0.898 20 30 ECEDLO C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328898312 437280956 /nfs/dbraw/zinc/28/09/56/437280956.db2.gz WOIHWTWWXDSULZ-TUVASFSCSA-N 1 2 327.425 0.499 20 30 ECEDLO C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328898312 437280962 /nfs/dbraw/zinc/28/09/62/437280962.db2.gz WOIHWTWWXDSULZ-TUVASFSCSA-N 1 2 327.425 0.499 20 30 ECEDLO C[C@@H](C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCOCC1 ZINC000328951184 437290914 /nfs/dbraw/zinc/29/09/14/437290914.db2.gz LNSSPUMUCOCGEH-AWEZNQCLSA-N 1 2 337.424 0.524 20 30 ECEDLO C[C@H](CNC(=O)N1CCO[C@@]2(CCCOC2)C1)[NH+]1CCOCC1 ZINC000329257906 437343248 /nfs/dbraw/zinc/34/32/48/437343248.db2.gz FBMWJKXNPRCDLW-ZBFHGGJFSA-N 1 2 327.425 0.503 20 30 ECEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@]3(CNC(=O)C3)C2)C1=O ZINC000278916602 437356614 /nfs/dbraw/zinc/35/66/14/437356614.db2.gz RBRXHWAWZMDJCK-WBMJQRKESA-N 1 2 330.413 0.937 20 30 ECEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@]3(CNC(=O)C3)C2)C1=O ZINC000278916602 437356617 /nfs/dbraw/zinc/35/66/17/437356617.db2.gz RBRXHWAWZMDJCK-WBMJQRKESA-N 1 2 330.413 0.937 20 30 ECEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC000329410439 437365347 /nfs/dbraw/zinc/36/53/47/437365347.db2.gz BVPIOXOWKQKNFS-SNVBAGLBSA-N 1 2 337.380 0.030 20 30 ECEDLO C[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)C(=O)N1CCCC[C@H]1C ZINC000329427047 437368031 /nfs/dbraw/zinc/36/80/31/437368031.db2.gz GQZFADNJFIYLTK-QLFBSQMISA-N 1 2 339.484 0.525 20 30 ECEDLO C[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)C(=O)N1CCCC[C@H]1C ZINC000329427047 437368033 /nfs/dbraw/zinc/36/80/33/437368033.db2.gz GQZFADNJFIYLTK-QLFBSQMISA-N 1 2 339.484 0.525 20 30 ECEDLO N#Cc1cccc(-c2cc(C(=O)NC[C@H]3C[NH+]4CCN3CC4)on2)c1 ZINC000279085901 437371568 /nfs/dbraw/zinc/37/15/68/437371568.db2.gz BUUUPPCJYOXOLN-HNNXBMFYSA-N 1 2 337.383 0.943 20 30 ECEDLO COc1ccc(NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)nn1 ZINC000329150281 437327012 /nfs/dbraw/zinc/32/70/12/437327012.db2.gz ZKDGHXNSLUPCBH-PWSUYJOCSA-N 1 2 332.364 1.465 20 30 ECEDLO C[C@H]1C(=O)NCCN1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000329165232 437328953 /nfs/dbraw/zinc/32/89/53/437328953.db2.gz HGALDYSITNKLAP-LBPRGKRZSA-N 1 2 333.392 0.993 20 30 ECEDLO N#C[C@H]1CN(S(=O)(=O)NCc2cccc(-n3cc[nH+]c3)c2)CCO1 ZINC000337090242 437330368 /nfs/dbraw/zinc/33/03/68/437330368.db2.gz JKZFVPFTYOQFJF-HNNXBMFYSA-N 1 2 347.400 0.431 20 30 ECEDLO O=C(N[C@H]1CCCOCC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329187638 437331307 /nfs/dbraw/zinc/33/13/07/437331307.db2.gz BGDDAPZTGWMDEU-GJZGRUSLSA-N 1 2 339.436 0.693 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCN(CC(=O)N3CCCCC3)CC2)C1=O ZINC000337126691 437335316 /nfs/dbraw/zinc/33/53/16/437335316.db2.gz GBFULMBICZJKOW-INIZCTEOSA-N 1 2 334.464 0.403 20 30 ECEDLO CC[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C[C@H](C)S1(=O)=O ZINC000329228278 437337342 /nfs/dbraw/zinc/33/73/42/437337342.db2.gz IMYULRMYAAIYDB-BFHYXJOUSA-N 1 2 346.497 0.044 20 30 ECEDLO CC[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C[C@H](C)S1(=O)=O ZINC000329228278 437337345 /nfs/dbraw/zinc/33/73/45/437337345.db2.gz IMYULRMYAAIYDB-BFHYXJOUSA-N 1 2 346.497 0.044 20 30 ECEDLO O=C(NCC[NH+]1CCSCC1)NC[C@@H]1CCCS(=O)(=O)C1 ZINC000329238114 437338976 /nfs/dbraw/zinc/33/89/76/437338976.db2.gz PKRGFXFIKUQYSY-LBPRGKRZSA-N 1 2 335.495 0.364 20 30 ECEDLO C[C@H](CO[C@@H]1CCOC1)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000329238187 437339340 /nfs/dbraw/zinc/33/93/40/437339340.db2.gz PNBCHVDCVWBNFA-QKPAOTATSA-N 1 2 341.452 0.889 20 30 ECEDLO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000338361212 437405606 /nfs/dbraw/zinc/40/56/06/437405606.db2.gz ZQQCXVVJZZOXAT-BJJXKVORSA-N 1 2 334.372 0.560 20 30 ECEDLO COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000338361212 437405607 /nfs/dbraw/zinc/40/56/07/437405607.db2.gz ZQQCXVVJZZOXAT-BJJXKVORSA-N 1 2 334.372 0.560 20 30 ECEDLO C[C@H](CNC(=O)N[C@H]1CCCS(=O)(=O)C1)C[NH+]1CCOCC1 ZINC000329803068 437415301 /nfs/dbraw/zinc/41/53/01/437415301.db2.gz ZJAWYTCEJXRGNT-OLZOCXBDSA-N 1 2 333.454 0.036 20 30 ECEDLO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CC(NC(=O)COC)C1 ZINC000185093665 437424559 /nfs/dbraw/zinc/42/45/59/437424559.db2.gz MUHXNBVNCJTOKT-INIZCTEOSA-N 1 2 334.416 0.602 20 30 ECEDLO Cc1c([C@@H]2[C@H](C(=O)NC[C@@H]3C[N@H+](C)CCO3)CC(=O)N2C)cnn1C ZINC000329883761 437425550 /nfs/dbraw/zinc/42/55/50/437425550.db2.gz RLUOVFMEQZXIFN-IOASZLSFSA-N 1 2 349.435 0.535 20 30 ECEDLO Cc1c([C@@H]2[C@H](C(=O)NC[C@@H]3C[N@@H+](C)CCO3)CC(=O)N2C)cnn1C ZINC000329883761 437425555 /nfs/dbraw/zinc/42/55/55/437425555.db2.gz RLUOVFMEQZXIFN-IOASZLSFSA-N 1 2 349.435 0.535 20 30 ECEDLO Cc1noc([C@H]2C[C@@H](O)CN2C(=O)N[C@H](C)C[NH+]2CCOCC2)n1 ZINC000329900005 437427766 /nfs/dbraw/zinc/42/77/66/437427766.db2.gz FXFKTNQWURTUTH-RAIGVLPGSA-N 1 2 339.396 0.120 20 30 ECEDLO CC(=O)N1CCC(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000329550921 437382843 /nfs/dbraw/zinc/38/28/43/437382843.db2.gz JJFWWGQGNLUKBD-INIZCTEOSA-N 1 2 338.452 0.708 20 30 ECEDLO CS(=O)(=O)N1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329614406 437390919 /nfs/dbraw/zinc/39/09/19/437390919.db2.gz PFDPEZJMUVCWKK-LLVKDONJSA-N 1 2 341.437 0.148 20 30 ECEDLO CS(=O)(=O)N1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329614406 437390923 /nfs/dbraw/zinc/39/09/23/437390923.db2.gz PFDPEZJMUVCWKK-LLVKDONJSA-N 1 2 341.437 0.148 20 30 ECEDLO Cc1cnn([C@@H]2CCN(C([O-])=[NH+][C@@H](C)CN3CC[NH+](C)CC3)C2)c1 ZINC000329616007 437391382 /nfs/dbraw/zinc/39/13/82/437391382.db2.gz PQVFOHFEUXMMGV-JKSUJKDBSA-N 1 2 334.468 0.988 20 30 ECEDLO Cc1cnn([C@@H]2CCN(C(=O)N[C@@H](C)C[NH+]3CCN(C)CC3)C2)c1 ZINC000329616007 437391384 /nfs/dbraw/zinc/39/13/84/437391384.db2.gz PQVFOHFEUXMMGV-JKSUJKDBSA-N 1 2 334.468 0.988 20 30 ECEDLO C[C@H](NC(=O)C[N@H+](C)[C@@]1(CO)CCOC1)C(=O)N1CCCCC1 ZINC000329613619 437391958 /nfs/dbraw/zinc/39/19/58/437391958.db2.gz DXDQMDLFIOCJHB-XJKSGUPXSA-N 1 2 327.425 0.427 20 30 ECEDLO C[C@H](NC(=O)C[N@@H+](C)[C@@]1(CO)CCOC1)C(=O)N1CCCCC1 ZINC000329613619 437391966 /nfs/dbraw/zinc/39/19/66/437391966.db2.gz DXDQMDLFIOCJHB-XJKSGUPXSA-N 1 2 327.425 0.427 20 30 ECEDLO CC[C@H]1CN(S(=O)(=O)CC2(C#N)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000329623287 437392786 /nfs/dbraw/zinc/39/27/86/437392786.db2.gz NUDAIRCPIGCCEK-UONOGXRCSA-N 1 2 327.450 0.663 20 30 ECEDLO C[N@@H+]1CCO[C@H]2CCN(S(=O)(=O)Cc3ccc(C#N)cc3)C[C@H]21 ZINC000289272535 437395017 /nfs/dbraw/zinc/39/50/17/437395017.db2.gz WGJKLONXNBANAA-CVEARBPZSA-N 1 2 335.429 0.793 20 30 ECEDLO C[N@H+]1CCO[C@H]2CCN(S(=O)(=O)Cc3ccc(C#N)cc3)C[C@H]21 ZINC000289272535 437395021 /nfs/dbraw/zinc/39/50/21/437395021.db2.gz WGJKLONXNBANAA-CVEARBPZSA-N 1 2 335.429 0.793 20 30 ECEDLO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)NC[C@H]1COc2ccccc2O1 ZINC000329649702 437396814 /nfs/dbraw/zinc/39/68/14/437396814.db2.gz BYQHURVUWNHVLI-GJZGRUSLSA-N 1 2 347.415 0.799 20 30 ECEDLO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)NC[C@H]1COc2ccccc2O1 ZINC000329649702 437396819 /nfs/dbraw/zinc/39/68/19/437396819.db2.gz BYQHURVUWNHVLI-GJZGRUSLSA-N 1 2 347.415 0.799 20 30 ECEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000330239817 437473343 /nfs/dbraw/zinc/47/33/43/437473343.db2.gz DWZIGIWQLHPEKB-ZIAGYGMSSA-N 1 2 327.425 0.549 20 30 ECEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000330239817 437473344 /nfs/dbraw/zinc/47/33/44/437473344.db2.gz DWZIGIWQLHPEKB-ZIAGYGMSSA-N 1 2 327.425 0.549 20 30 ECEDLO Cn1nccc1[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC(=O)N1C ZINC000330240744 437473362 /nfs/dbraw/zinc/47/33/62/437473362.db2.gz ISYRSPHIEQPLGI-JMSVASOKSA-N 1 2 335.408 0.227 20 30 ECEDLO Cn1nccc1[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC(=O)N1C ZINC000330240744 437473364 /nfs/dbraw/zinc/47/33/64/437473364.db2.gz ISYRSPHIEQPLGI-JMSVASOKSA-N 1 2 335.408 0.227 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@]23CCOC3=O)CC1 ZINC000186631968 437478618 /nfs/dbraw/zinc/47/86/18/437478618.db2.gz LWKSBYAFXZMXLF-QAPCUYQASA-N 1 2 348.447 0.460 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@]23CCOC3=O)CC1 ZINC000186631968 437478620 /nfs/dbraw/zinc/47/86/20/437478620.db2.gz LWKSBYAFXZMXLF-QAPCUYQASA-N 1 2 348.447 0.460 20 30 ECEDLO C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C)[NH+]1CCOCC1 ZINC000330284354 437478943 /nfs/dbraw/zinc/47/89/43/437478943.db2.gz XJEDTWJKXQGIOO-XJKCOSOUSA-N 1 2 349.435 0.617 20 30 ECEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC[C@@H]1COCCO1 ZINC000330302122 437481530 /nfs/dbraw/zinc/48/15/30/437481530.db2.gz ODUSZDUGMRNZCV-CYBMUJFWSA-N 1 2 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/nfs/dbraw/zinc/82/85/44/437828544.db2.gz HVKRVSDIVXWRMU-RBSFLKMASA-N 1 2 336.436 0.749 20 30 ECEDLO C[N@H+](CC(=O)OC(C)(C)C)[C@@H]1CN(C[C@@H](C#N)CCC#N)C[C@H]1O ZINC000347078613 437828549 /nfs/dbraw/zinc/82/85/49/437828549.db2.gz HVKRVSDIVXWRMU-RBSFLKMASA-N 1 2 336.436 0.749 20 30 ECEDLO C[N@@H+](CC(=O)OC(C)(C)C)[C@@H]1CN(C[C@@H](C#N)CCC#N)C[C@H]1O ZINC000347078613 437828554 /nfs/dbraw/zinc/82/85/54/437828554.db2.gz HVKRVSDIVXWRMU-RBSFLKMASA-N 1 2 336.436 0.749 20 30 ECEDLO N#CC1(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCCC1 ZINC000363252898 437779522 /nfs/dbraw/zinc/77/95/22/437779522.db2.gz FKZRQHATGDURSI-HNNXBMFYSA-N 1 2 348.447 0.510 20 30 ECEDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000345153662 437782246 /nfs/dbraw/zinc/78/22/46/437782246.db2.gz VLOXFEJHFKHAFM-CQSZACIVSA-N 1 2 344.371 0.250 20 30 ECEDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000345153662 437782250 /nfs/dbraw/zinc/78/22/50/437782250.db2.gz VLOXFEJHFKHAFM-CQSZACIVSA-N 1 2 344.371 0.250 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000363494263 437794753 /nfs/dbraw/zinc/79/47/53/437794753.db2.gz AKHCXTZZLYDQQF-CABCVRRESA-N 1 2 348.428 0.287 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000363494263 437794756 /nfs/dbraw/zinc/79/47/56/437794756.db2.gz AKHCXTZZLYDQQF-CABCVRRESA-N 1 2 348.428 0.287 20 30 ECEDLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)CCCCC#N)[C@@H](C)C1 ZINC000341202832 437815499 /nfs/dbraw/zinc/81/54/99/437815499.db2.gz RWFXFRRGXHGULJ-ZDUSSCGKSA-N 1 2 331.438 0.579 20 30 ECEDLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)CCCCC#N)[C@@H](C)C1 ZINC000341202832 437815503 /nfs/dbraw/zinc/81/55/03/437815503.db2.gz RWFXFRRGXHGULJ-ZDUSSCGKSA-N 1 2 331.438 0.579 20 30 ECEDLO C[C@@H](C#N)S(=O)(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000416367492 437921622 /nfs/dbraw/zinc/92/16/22/437921622.db2.gz FZZRMZZYOPEHEN-ZDUSSCGKSA-N 1 2 340.424 0.779 20 30 ECEDLO C[C@H](C#N)S(=O)(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000416394487 437925758 /nfs/dbraw/zinc/92/57/58/437925758.db2.gz UWLJLSFBHIAFNZ-LLVKDONJSA-N 1 2 343.371 0.815 20 30 ECEDLO COC[C@H](C)NC(=O)NC(=O)C[NH+]1CCC(C#N)(COC)CC1 ZINC000341993989 437934328 /nfs/dbraw/zinc/93/43/28/437934328.db2.gz RQLPHEKKJPZTAM-LBPRGKRZSA-N 1 2 326.397 0.099 20 30 ECEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000342081874 437960870 /nfs/dbraw/zinc/96/08/70/437960870.db2.gz ZENSJSNSTVLIOR-UHFFFAOYSA-N 1 2 331.420 0.103 20 30 ECEDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CC[N@H+](C)C1 ZINC000416585547 437966797 /nfs/dbraw/zinc/96/67/97/437966797.db2.gz NYPGYBMJFXBGGT-JTQLQIEISA-N 1 2 343.430 0.345 20 30 ECEDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CC[N@@H+](C)C1 ZINC000416585547 437966803 /nfs/dbraw/zinc/96/68/03/437966803.db2.gz NYPGYBMJFXBGGT-JTQLQIEISA-N 1 2 343.430 0.345 20 30 ECEDLO COc1ccc(C#N)cc1NC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000347816153 437967043 /nfs/dbraw/zinc/96/70/43/437967043.db2.gz DYOVODDIVQKWMG-UHFFFAOYSA-N 1 2 348.403 0.725 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCO[C@H](CCC)C2)CC1 ZINC000371669955 437976821 /nfs/dbraw/zinc/97/68/21/437976821.db2.gz ISSNLVWTGIOJOT-IAGOWNOFSA-N 1 2 349.475 0.865 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCO[C@H](CCC)C2)CC1 ZINC000371669955 437976823 /nfs/dbraw/zinc/97/68/23/437976823.db2.gz ISSNLVWTGIOJOT-IAGOWNOFSA-N 1 2 349.475 0.865 20 30 ECEDLO C=CCCOCCNC(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000342000258 437936438 /nfs/dbraw/zinc/93/64/38/437936438.db2.gz OVJAGTMRUQHXEL-HNNXBMFYSA-N 1 2 348.447 0.910 20 30 ECEDLO CNC(=O)N[C@H]1CC[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000342450200 438015190 /nfs/dbraw/zinc/01/51/90/438015190.db2.gz JECSVZUAVBOWLQ-JSGCOSHPSA-N 1 2 341.371 0.193 20 30 ECEDLO CNC(=O)N[C@H]1CC[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000342450200 438015194 /nfs/dbraw/zinc/01/51/94/438015194.db2.gz JECSVZUAVBOWLQ-JSGCOSHPSA-N 1 2 341.371 0.193 20 30 ECEDLO N#CCSc1cccc(C(=O)N[C@H](CO)C[NH+]2CCOCC2)c1 ZINC000425292192 438021701 /nfs/dbraw/zinc/02/17/01/438021701.db2.gz WNJLGNXIHFNDIV-AWEZNQCLSA-N 1 2 335.429 0.725 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC000425480107 438023843 /nfs/dbraw/zinc/02/38/43/438023843.db2.gz DWJYSKNKCSPOQL-RKDXNWHRSA-N 1 2 340.405 0.981 20 30 ECEDLO C#CCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC000365949735 437993996 /nfs/dbraw/zinc/99/39/96/437993996.db2.gz SBNHXLDBMIIPBM-MRXNPFEDSA-N 1 2 347.459 0.572 20 30 ECEDLO C#CCC(C)(C)C(=O)N1C[C@@H](O)[C@H]([N@H+](CC)Cc2nnc(C)o2)C1 ZINC000372577605 438100724 /nfs/dbraw/zinc/10/07/24/438100724.db2.gz OCONNKNDFLVBJH-ZIAGYGMSSA-N 1 2 334.420 0.821 20 30 ECEDLO C#CCC(C)(C)C(=O)N1C[C@@H](O)[C@H]([N@@H+](CC)Cc2nnc(C)o2)C1 ZINC000372577605 438100726 /nfs/dbraw/zinc/10/07/26/438100726.db2.gz OCONNKNDFLVBJH-ZIAGYGMSSA-N 1 2 334.420 0.821 20 30 ECEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)c(C#N)c1C ZINC000366419477 438068482 /nfs/dbraw/zinc/06/84/82/438068482.db2.gz OCWJQNJBHNIRHU-JQWIXIFHSA-N 1 2 346.412 0.770 20 30 ECEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)c(C#N)c1C ZINC000366419477 438068485 /nfs/dbraw/zinc/06/84/85/438068485.db2.gz OCWJQNJBHNIRHU-JQWIXIFHSA-N 1 2 346.412 0.770 20 30 ECEDLO N#CCC1(CNC(=O)NC[C@]2([NH+]3CCOCC3)CCCOC2)CC1 ZINC000366632044 438106822 /nfs/dbraw/zinc/10/68/22/438106822.db2.gz HTBLQMYPLYNYFN-QGZVFWFLSA-N 1 2 336.436 0.861 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000367171596 438177274 /nfs/dbraw/zinc/17/72/74/438177274.db2.gz KIQDYUOXMPOJOY-HZSPNIEDSA-N 1 2 330.454 0.308 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000367171596 438177278 /nfs/dbraw/zinc/17/72/78/438177278.db2.gz KIQDYUOXMPOJOY-HZSPNIEDSA-N 1 2 330.454 0.308 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1C ZINC000349804830 438180366 /nfs/dbraw/zinc/18/03/66/438180366.db2.gz VTZCOFGMYUVJBL-QLFBSQMISA-N 1 2 344.481 0.508 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000349894555 438187641 /nfs/dbraw/zinc/18/76/41/438187641.db2.gz OXCDGJFISVKRDS-CQSZACIVSA-N 1 2 348.451 0.263 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH+]1CCN(c2cc(C3(C)CC3)[nH]n2)CC1 ZINC000374844298 438232015 /nfs/dbraw/zinc/23/20/15/438232015.db2.gz KKJLHWDGKYDFPF-UHFFFAOYSA-N 1 2 346.435 0.595 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000374825279 438233096 /nfs/dbraw/zinc/23/30/96/438233096.db2.gz OQMYOFVNIKRLEG-UHFFFAOYSA-N 1 2 342.465 0.248 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000374825279 438233101 /nfs/dbraw/zinc/23/31/01/438233101.db2.gz OQMYOFVNIKRLEG-UHFFFAOYSA-N 1 2 342.465 0.248 20 30 ECEDLO CC(C)n1nc2c(cc1=O)C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC2 ZINC000375880964 438264538 /nfs/dbraw/zinc/26/45/38/438264538.db2.gz PEAWTXIAROGMNY-GOSISDBHSA-N 1 2 343.431 0.991 20 30 ECEDLO CC(C)n1nc2c(cc1=O)C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC2 ZINC000375880964 438264543 /nfs/dbraw/zinc/26/45/43/438264543.db2.gz PEAWTXIAROGMNY-GOSISDBHSA-N 1 2 343.431 0.991 20 30 ECEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCC(C)(C)C#N)CC1 ZINC000358619043 438268525 /nfs/dbraw/zinc/26/85/25/438268525.db2.gz RMUNOQYLMCVFEP-CQSZACIVSA-N 1 2 335.452 0.874 20 30 ECEDLO C#CCCCS(=O)(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000376247602 438276859 /nfs/dbraw/zinc/27/68/59/438276859.db2.gz NYUVNUOOPQBVRB-AWEZNQCLSA-N 1 2 332.491 0.527 20 30 ECEDLO C#CC[C@H](C)NC(=O)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000376494421 438284201 /nfs/dbraw/zinc/28/42/01/438284201.db2.gz FJBWPTVXURQFGC-LSDHHAIUSA-N 1 2 336.436 0.021 20 30 ECEDLO C#CC[C@@H](C)NC(=O)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000376494420 438284225 /nfs/dbraw/zinc/28/42/25/438284225.db2.gz FJBWPTVXURQFGC-HUUCEWRRSA-N 1 2 336.436 0.021 20 30 ECEDLO Cn1cc(CNc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)cc1C#N ZINC000351549710 438286887 /nfs/dbraw/zinc/28/68/87/438286887.db2.gz DITLUSZARWQMJR-UHFFFAOYSA-N 1 2 338.415 0.713 20 30 ECEDLO C=CCNC(=O)CN1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000358794312 438302885 /nfs/dbraw/zinc/30/28/85/438302885.db2.gz GNYXZLCJCPIZMZ-UHFFFAOYSA-N 1 2 330.436 0.501 20 30 ECEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000435236380 438353394 /nfs/dbraw/zinc/35/33/94/438353394.db2.gz IXDFZXNJYVFBEA-ZDUSSCGKSA-N 1 2 344.415 0.984 20 30 ECEDLO COC(=O)c1cc(C(C)(C)[NH2+]CC(=O)N(CCC#N)CCC#N)no1 ZINC000352016886 438369709 /nfs/dbraw/zinc/36/97/09/438369709.db2.gz APIXRSXYPRAXBR-UHFFFAOYSA-N 1 2 347.375 0.942 20 30 ECEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000435637169 438372511 /nfs/dbraw/zinc/37/25/11/438372511.db2.gz MNZQTWDSJBPFJT-NSHDSACASA-N 1 2 334.351 0.473 20 30 ECEDLO C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000435637169 438372516 /nfs/dbraw/zinc/37/25/16/438372516.db2.gz MNZQTWDSJBPFJT-NSHDSACASA-N 1 2 334.351 0.473 20 30 ECEDLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2ccccc2OCC#N)CC1 ZINC000368772524 438377455 /nfs/dbraw/zinc/37/74/55/438377455.db2.gz LCBKNJAGVIVLQJ-UHFFFAOYSA-N 1 2 344.415 0.825 20 30 ECEDLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2ccccc2OCC#N)CC1 ZINC000368772524 438377456 /nfs/dbraw/zinc/37/74/56/438377456.db2.gz LCBKNJAGVIVLQJ-UHFFFAOYSA-N 1 2 344.415 0.825 20 30 ECEDLO Cn1nc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1C1CC1 ZINC000359217183 438382143 /nfs/dbraw/zinc/38/21/43/438382143.db2.gz RIAADGIGXNJSQC-UHFFFAOYSA-N 1 2 331.420 0.986 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000352551436 438439444 /nfs/dbraw/zinc/43/94/44/438439444.db2.gz XUUUYTKAUJHNQU-QWHCGFSZSA-N 1 2 342.465 0.293 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000352551436 438439449 /nfs/dbraw/zinc/43/94/49/438439449.db2.gz XUUUYTKAUJHNQU-QWHCGFSZSA-N 1 2 342.465 0.293 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000352558604 438442714 /nfs/dbraw/zinc/44/27/14/438442714.db2.gz ATKYRMIMFMDSTR-KGLIPLIRSA-N 1 2 344.481 0.350 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000352558604 438442719 /nfs/dbraw/zinc/44/27/19/438442719.db2.gz ATKYRMIMFMDSTR-KGLIPLIRSA-N 1 2 344.481 0.350 20 30 ECEDLO N#Cc1cccnc1N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000378569022 438402912 /nfs/dbraw/zinc/40/29/12/438402912.db2.gz KNYOLLYGIMEJGM-OAHLLOKOSA-N 1 2 329.404 0.688 20 30 ECEDLO C=CCOCCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000378588703 438405965 /nfs/dbraw/zinc/40/59/65/438405965.db2.gz MNVSFEWTTHSOMN-HNNXBMFYSA-N 1 2 329.466 0.696 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000368982748 438407907 /nfs/dbraw/zinc/40/79/07/438407907.db2.gz KUQWZWNUTHBSRX-UHFFFAOYSA-N 1 2 340.449 0.962 20 30 ECEDLO Cn1cc2c(n1)CCC[C@@H]2C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000369049047 438416930 /nfs/dbraw/zinc/41/69/30/438416930.db2.gz RZOIAOOZKGZZLY-HNNXBMFYSA-N 1 2 345.447 0.914 20 30 ECEDLO C=C(C)C[N@H+](CC(=O)N1CCN(C(C)=O)CC1)Cc1ccc(CO)o1 ZINC000352798382 438477330 /nfs/dbraw/zinc/47/73/30/438477330.db2.gz KAKMBIAVAGWYPZ-UHFFFAOYSA-N 1 2 349.431 0.841 20 30 ECEDLO C=C(C)C[N@@H+](CC(=O)N1CCN(C(C)=O)CC1)Cc1ccc(CO)o1 ZINC000352798382 438477334 /nfs/dbraw/zinc/47/73/34/438477334.db2.gz KAKMBIAVAGWYPZ-UHFFFAOYSA-N 1 2 349.431 0.841 20 30 ECEDLO C=CCc1ccccc1OC[C@H](O)C[NH+]1CC(OCC(=O)N(C)C)C1 ZINC000353015269 438499939 /nfs/dbraw/zinc/49/99/39/438499939.db2.gz UFBAESXAJUTIEY-MRXNPFEDSA-N 1 2 348.443 0.944 20 30 ECEDLO C[N@H+](CC(=O)NCc1cccs1)CC(=O)N(CCC#N)CCC#N ZINC000353134161 438500948 /nfs/dbraw/zinc/50/09/48/438500948.db2.gz CPZJVFLAMRYMTF-UHFFFAOYSA-N 1 2 347.444 0.952 20 30 ECEDLO C[N@@H+](CC(=O)NCc1cccs1)CC(=O)N(CCC#N)CCC#N ZINC000353134161 438500953 /nfs/dbraw/zinc/50/09/53/438500953.db2.gz CPZJVFLAMRYMTF-UHFFFAOYSA-N 1 2 347.444 0.952 20 30 ECEDLO C=CCOC[C@@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)C(=O)OC ZINC000353285805 438503793 /nfs/dbraw/zinc/50/37/93/438503793.db2.gz KHLNGFZXWIMTHA-JXQTWKCFSA-N 1 2 333.450 0.924 20 30 ECEDLO COC(=O)[C@H](O)C1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000441268515 438580608 /nfs/dbraw/zinc/58/06/08/438580608.db2.gz RAWMNSKSOOMCQJ-MRXNPFEDSA-N 1 2 331.372 0.743 20 30 ECEDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000451982299 438622581 /nfs/dbraw/zinc/62/25/81/438622581.db2.gz BRVXNWDEOMKKRW-MRXNPFEDSA-N 1 2 343.431 0.910 20 30 ECEDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000451982299 438622583 /nfs/dbraw/zinc/62/25/83/438622583.db2.gz BRVXNWDEOMKKRW-MRXNPFEDSA-N 1 2 343.431 0.910 20 30 ECEDLO C=CCOCC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000493425821 438624281 /nfs/dbraw/zinc/62/42/81/438624281.db2.gz LBWVMIAXYUNMPR-CYBMUJFWSA-N 1 2 327.425 0.856 20 30 ECEDLO C=CCOCC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000493425821 438624285 /nfs/dbraw/zinc/62/42/85/438624285.db2.gz LBWVMIAXYUNMPR-CYBMUJFWSA-N 1 2 327.425 0.856 20 30 ECEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000453716605 438691001 /nfs/dbraw/zinc/69/10/01/438691001.db2.gz MGPDUYWMWXZDNL-CYBMUJFWSA-N 1 2 330.388 0.330 20 30 ECEDLO C[N@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@@H](CCc2ccccc2)C1=O ZINC000414108721 438699047 /nfs/dbraw/zinc/69/90/47/438699047.db2.gz MIYQFSBQRQWHCL-HOTGVXAUSA-N 1 2 344.415 0.746 20 30 ECEDLO C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@@H](CCc2ccccc2)C1=O ZINC000414108721 438699050 /nfs/dbraw/zinc/69/90/50/438699050.db2.gz MIYQFSBQRQWHCL-HOTGVXAUSA-N 1 2 344.415 0.746 20 30 ECEDLO Cc1ccc([C@@]2(C)NC(=O)N(C[C@@H](O)C[N@H+](C)CCC#N)C2=O)o1 ZINC000414156600 438699865 /nfs/dbraw/zinc/69/98/65/438699865.db2.gz VAVJCVBYCIGXDB-BLLLJJGKSA-N 1 2 334.376 0.561 20 30 ECEDLO Cc1ccc([C@@]2(C)NC(=O)N(C[C@@H](O)C[N@@H+](C)CCC#N)C2=O)o1 ZINC000414156600 438699869 /nfs/dbraw/zinc/69/98/69/438699869.db2.gz VAVJCVBYCIGXDB-BLLLJJGKSA-N 1 2 334.376 0.561 20 30 ECEDLO C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000414115301 438699880 /nfs/dbraw/zinc/69/98/80/438699880.db2.gz UVKWCPBVBJOHKC-LLVKDONJSA-N 1 2 332.316 0.397 20 30 ECEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000414115301 438699881 /nfs/dbraw/zinc/69/98/81/438699881.db2.gz UVKWCPBVBJOHKC-LLVKDONJSA-N 1 2 332.316 0.397 20 30 ECEDLO N#CCNC(=O)C[NH2+][C@H](C(N)=O)c1ccc(Br)cc1 ZINC000507266025 438807121 /nfs/dbraw/zinc/80/71/21/438807121.db2.gz HPZHAXHOMBAKDK-NSHDSACASA-N 1 2 325.166 0.205 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1COC(=O)N(C)C ZINC000497048097 438760691 /nfs/dbraw/zinc/76/06/91/438760691.db2.gz UBBZSBLSUWKARW-LBPRGKRZSA-N 1 2 326.397 0.551 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1COC(=O)N(C)C ZINC000497048097 438760695 /nfs/dbraw/zinc/76/06/95/438760695.db2.gz UBBZSBLSUWKARW-LBPRGKRZSA-N 1 2 326.397 0.551 20 30 ECEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC000555021682 438772173 /nfs/dbraw/zinc/77/21/73/438772173.db2.gz OBQHAWWILUNUAV-GJZGRUSLSA-N 1 2 342.447 0.975 20 30 ECEDLO N#Cc1cc(N2CC[NH+](CC(=O)N3CCCC3)CC2)nc(C2CC2)n1 ZINC000601101300 438819309 /nfs/dbraw/zinc/81/93/09/438819309.db2.gz XBVWAIAYBMZMJJ-UHFFFAOYSA-N 1 2 340.431 0.970 20 30 ECEDLO Cc1c(C#N)c(=O)n(CC[NH+]2C[C@H](C)O[C@@H](C)C2)c(=O)n1C1CC1 ZINC000601092722 438819319 /nfs/dbraw/zinc/81/93/19/438819319.db2.gz NPTONRWWPWDHNS-RYUDHWBXSA-N 1 2 332.404 0.634 20 30 ECEDLO N#Cc1nccc(NCc2ccc(C[NH+]3CCS(=O)CC3)cc2)n1 ZINC000601177879 438827209 /nfs/dbraw/zinc/82/72/09/438827209.db2.gz BXMULERWNYGXRJ-UHFFFAOYSA-N 1 2 341.440 0.947 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCNC3=O)CC2)cc1 ZINC000595658006 438840541 /nfs/dbraw/zinc/84/05/41/438840541.db2.gz DWNMLHQUMLBPCM-HNNXBMFYSA-N 1 2 327.388 0.274 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)nc1 ZINC000595729901 438852308 /nfs/dbraw/zinc/85/23/08/438852308.db2.gz WOCMATTYZWUKIV-KGLIPLIRSA-N 1 2 348.428 0.327 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)nc1 ZINC000595729901 438852313 /nfs/dbraw/zinc/85/23/13/438852313.db2.gz WOCMATTYZWUKIV-KGLIPLIRSA-N 1 2 348.428 0.327 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCN(C(=O)c3cc(C)n[nH]3)C[C@H]2C)C1=O ZINC000562688470 438853889 /nfs/dbraw/zinc/85/38/89/438853889.db2.gz OLKANHPRJWPGQN-UKRRQHHQSA-N 1 2 331.420 0.651 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(C(=O)c3cc(C)n[nH]3)C[C@H]2C)C1=O ZINC000562688470 438853894 /nfs/dbraw/zinc/85/38/94/438853894.db2.gz OLKANHPRJWPGQN-UKRRQHHQSA-N 1 2 331.420 0.651 20 30 ECEDLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000595826352 438867349 /nfs/dbraw/zinc/86/73/49/438867349.db2.gz NKRYUXZPDOUWOF-AWEZNQCLSA-N 1 2 334.424 0.330 20 30 ECEDLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000595826352 438867352 /nfs/dbraw/zinc/86/73/52/438867352.db2.gz NKRYUXZPDOUWOF-AWEZNQCLSA-N 1 2 334.424 0.330 20 30 ECEDLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000595823609 438868328 /nfs/dbraw/zinc/86/83/28/438868328.db2.gz OXJFLAKUAHSBAW-HUUCEWRRSA-N 1 2 329.404 0.772 20 30 ECEDLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000595823609 438868329 /nfs/dbraw/zinc/86/83/29/438868329.db2.gz OXJFLAKUAHSBAW-HUUCEWRRSA-N 1 2 329.404 0.772 20 30 ECEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccccc1C(=O)N1CCOCC1 ZINC000565063127 438910401 /nfs/dbraw/zinc/91/04/01/438910401.db2.gz UOSTZCPTFMHNCK-HNNXBMFYSA-N 1 2 347.415 0.744 20 30 ECEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccccc1C(=O)N1CCOCC1 ZINC000565063127 438910408 /nfs/dbraw/zinc/91/04/08/438910408.db2.gz UOSTZCPTFMHNCK-HNNXBMFYSA-N 1 2 347.415 0.744 20 30 ECEDLO C=CCN1CC[C@H](N(C)c2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)C1=O ZINC000516631146 438918202 /nfs/dbraw/zinc/91/82/02/438918202.db2.gz FXXYJWUZTNAHMD-KKUMJFAQSA-N 1 2 345.447 0.907 20 30 ECEDLO C=CCN1CC[C@H](N(C)c2cc(N3CC[C@H]([C@H](C)O)C3)nc[nH+]2)C1=O ZINC000516631146 438918206 /nfs/dbraw/zinc/91/82/06/438918206.db2.gz FXXYJWUZTNAHMD-KKUMJFAQSA-N 1 2 345.447 0.907 20 30 ECEDLO CCc1nc(C#N)cc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1 ZINC000596071371 438922531 /nfs/dbraw/zinc/92/25/31/438922531.db2.gz ZIMSMOSPFSXFSD-UHFFFAOYSA-N 1 2 349.402 0.914 20 30 ECEDLO N#CC1(CS(=O)(=O)N2CC[NH+](CCc3cnccn3)CC2)CCC1 ZINC000601520825 438924620 /nfs/dbraw/zinc/92/46/20/438924620.db2.gz NOBTWBZNCNFGDM-UHFFFAOYSA-N 1 2 349.460 0.660 20 30 ECEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N3CC[C@@](C)(C#N)C3)nc2)CC1 ZINC000596529834 438972571 /nfs/dbraw/zinc/97/25/71/438972571.db2.gz IFMZWBIZMLAGAS-INIZCTEOSA-N 1 2 349.460 0.758 20 30 ECEDLO COCCN(CC#N)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000459540605 438974233 /nfs/dbraw/zinc/97/42/33/438974233.db2.gz ZLMWSIDIPRKVPF-UHFFFAOYSA-N 1 2 336.461 0.864 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)c2ccn(C)n2)CC1 ZINC000459792630 439000382 /nfs/dbraw/zinc/00/03/82/439000382.db2.gz ODKHFNWKEFKQKR-GOEBONIOSA-N 1 2 332.452 0.763 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000566054297 439000690 /nfs/dbraw/zinc/00/06/90/439000690.db2.gz HPNBNHNDCAGGJT-CVEARBPZSA-N 1 2 333.436 0.981 20 30 ECEDLO Cc1cn2cc(NC(=O)C(=O)N3CCN(CCC#N)CC3)ccc2[nH+]1 ZINC000602077932 439006629 /nfs/dbraw/zinc/00/66/29/439006629.db2.gz JMGWPTXVYJAWLY-UHFFFAOYSA-N 1 2 340.387 0.639 20 30 ECEDLO CN1CCCC[C@@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)C1=O ZINC000602087334 439008509 /nfs/dbraw/zinc/00/85/09/439008509.db2.gz WXAWWSWLVPNEPR-OAHLLOKOSA-N 1 2 336.436 0.319 20 30 ECEDLO N#CCC(=O)N1CCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000602120391 439014581 /nfs/dbraw/zinc/01/45/81/439014581.db2.gz DOIAWIRUKOBTIJ-LLVKDONJSA-N 1 2 343.309 0.961 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cn1cc(C2CC2)cn1 ZINC000597024074 439030226 /nfs/dbraw/zinc/03/02/26/439030226.db2.gz DVCXWAMSMIMASD-UHFFFAOYSA-N 1 2 331.420 0.835 20 30 ECEDLO Cc1nn(C)c(N2CC[NH+](Cc3cnc(N(C)C)nc3)CC2)c1C#N ZINC000471798556 439095899 /nfs/dbraw/zinc/09/58/99/439095899.db2.gz MYUBDYZDOPLTOO-UHFFFAOYSA-N 1 2 340.435 0.778 20 30 ECEDLO CC[C@](C)(C#N)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000521115794 439107956 /nfs/dbraw/zinc/10/79/56/439107956.db2.gz FZCXYXCBIBBDGH-RHSMWYFYSA-N 1 2 336.436 0.508 20 30 ECEDLO CC[C@@H](C#N)N(C)C(=O)[C@@H]1OCC(=O)N(CC)[C@H]1c1[nH+]ccn1C ZINC000602356170 439071589 /nfs/dbraw/zinc/07/15/89/439071589.db2.gz WZWDNSOSDPUGNF-IACUBPJLSA-N 1 2 333.392 0.469 20 30 ECEDLO C=CCCSCCNC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000597361558 439084866 /nfs/dbraw/zinc/08/48/66/439084866.db2.gz TWKRHKLBKUZITH-ZDUSSCGKSA-N 1 2 329.466 0.249 20 30 ECEDLO C=CCCSCCNC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000597361558 439084871 /nfs/dbraw/zinc/08/48/71/439084871.db2.gz TWKRHKLBKUZITH-ZDUSSCGKSA-N 1 2 329.466 0.249 20 30 ECEDLO Cc1ccc(NC(=O)CN(C)C(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592149456 439166921 /nfs/dbraw/zinc/16/69/21/439166921.db2.gz PKADUTXSZNDBNA-GOSISDBHSA-N 1 2 344.415 0.742 20 30 ECEDLO Cc1ccc(NC(=O)CN(C)C(=O)C[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592149456 439166923 /nfs/dbraw/zinc/16/69/23/439166923.db2.gz PKADUTXSZNDBNA-GOSISDBHSA-N 1 2 344.415 0.742 20 30 ECEDLO Cc1nc(N2CC[NH+]([C@H](C)C(=O)N3CCOCC3)CC2)ccc1C#N ZINC000488081909 439174210 /nfs/dbraw/zinc/17/42/10/439174210.db2.gz CQZLVQMNZQQBTG-OAHLLOKOSA-N 1 2 343.431 0.631 20 30 ECEDLO C[C@@H]1C[NH+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C[C@@H](C)N1CC#N ZINC000602854574 439144318 /nfs/dbraw/zinc/14/43/18/439144318.db2.gz CTLYAJCRXCJWEG-IIAWOOMASA-N 1 2 330.436 0.834 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000592192615 439174067 /nfs/dbraw/zinc/17/40/67/439174067.db2.gz CMJVITCEEWXOSH-JHJVBQTASA-N 1 2 349.412 0.581 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000592192615 439174073 /nfs/dbraw/zinc/17/40/73/439174073.db2.gz CMJVITCEEWXOSH-JHJVBQTASA-N 1 2 349.412 0.581 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CC[NH+](CCc2cnccn2)CC1 ZINC000602998875 439180350 /nfs/dbraw/zinc/18/03/50/439180350.db2.gz PNPZMVBHZJVQKC-INIZCTEOSA-N 1 2 344.463 0.645 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)N2CCC[C@H](C(=O)OCC)C2)nn1 ZINC000603163610 439199095 /nfs/dbraw/zinc/19/90/95/439199095.db2.gz AWIRNLVPDHKGDN-AWEZNQCLSA-N 1 2 347.419 0.193 20 30 ECEDLO N#CCCN(C(=O)Cn1cc([C@@H]2COCC[NH2+]2)nn1)c1ccccc1 ZINC000603165738 439200249 /nfs/dbraw/zinc/20/02/49/439200249.db2.gz JVOQEHKWXFTRSX-INIZCTEOSA-N 1 2 340.387 0.886 20 30 ECEDLO COCC[N@H+](C)Cc1cn(CC(=O)Nc2sccc2C#N)nn1 ZINC000603171550 439201868 /nfs/dbraw/zinc/20/18/68/439201868.db2.gz BFLJDDBKQMIDIL-UHFFFAOYSA-N 1 2 334.405 0.928 20 30 ECEDLO COCC[N@@H+](C)Cc1cn(CC(=O)Nc2sccc2C#N)nn1 ZINC000603171550 439201873 /nfs/dbraw/zinc/20/18/73/439201873.db2.gz BFLJDDBKQMIDIL-UHFFFAOYSA-N 1 2 334.405 0.928 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(=O)n(-c2ccccc2F)n1 ZINC000567995165 439202379 /nfs/dbraw/zinc/20/23/79/439202379.db2.gz CRZAWNOXRJNWDL-QGZVFWFLSA-N 1 2 343.362 0.945 20 30 ECEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3cc(C#N)ncn3)CC2)C1 ZINC000527130644 439254834 /nfs/dbraw/zinc/25/48/34/439254834.db2.gz LSINAJBRIWHDHK-GJZGRUSLSA-N 1 2 342.447 0.975 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccnc(C3CC3)c2)CC1 ZINC000490936573 439315999 /nfs/dbraw/zinc/31/59/99/439315999.db2.gz QYZLEUQWYYTCIF-UHFFFAOYSA-N 1 2 340.427 0.856 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccnc(C3CC3)c2)CC1 ZINC000490936573 439316006 /nfs/dbraw/zinc/31/60/06/439316006.db2.gz QYZLEUQWYYTCIF-UHFFFAOYSA-N 1 2 340.427 0.856 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000490974198 439319801 /nfs/dbraw/zinc/31/98/01/439319801.db2.gz OEYFWGHARGONBK-UHFFFAOYSA-N 1 2 328.372 0.735 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000491125803 439335410 /nfs/dbraw/zinc/33/54/10/439335410.db2.gz HHJNLUHZSVUOHM-UHFFFAOYSA-N 1 2 346.387 0.341 20 30 ECEDLO COC(=O)[C@@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@H](C)O1 ZINC000593085209 439336644 /nfs/dbraw/zinc/33/66/44/439336644.db2.gz WHLDQVSBFCIAQG-QRTARXTBSA-N 1 2 348.399 0.755 20 30 ECEDLO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@H](C)O1 ZINC000593085209 439336646 /nfs/dbraw/zinc/33/66/46/439336646.db2.gz WHLDQVSBFCIAQG-QRTARXTBSA-N 1 2 348.399 0.755 20 30 ECEDLO C#CCN(C(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)C1CCCC1 ZINC000491128048 439336993 /nfs/dbraw/zinc/33/69/93/439336993.db2.gz YYQCTNLBBVYGNP-GJZGRUSLSA-N 1 2 335.448 0.616 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+](CC)CC(=O)N2CCCCCC2)CC1 ZINC000491128450 439337966 /nfs/dbraw/zinc/33/79/66/439337966.db2.gz ZXNJWXLXECHAIB-UHFFFAOYSA-N 1 2 348.491 0.488 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+](CC)CC(=O)N2CCCCCC2)CC1 ZINC000491128450 439337971 /nfs/dbraw/zinc/33/79/71/439337971.db2.gz ZXNJWXLXECHAIB-UHFFFAOYSA-N 1 2 348.491 0.488 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(CC)CC(=O)N2CCCCCC2)CC1 ZINC000491128450 439337975 /nfs/dbraw/zinc/33/79/75/439337975.db2.gz ZXNJWXLXECHAIB-UHFFFAOYSA-N 1 2 348.491 0.488 20 30 ECEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000598618772 439290343 /nfs/dbraw/zinc/29/03/43/439290343.db2.gz QCGQWEUITWTJOA-MCIONIFRSA-N 1 2 327.400 0.558 20 30 ECEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000598618772 439290349 /nfs/dbraw/zinc/29/03/49/439290349.db2.gz QCGQWEUITWTJOA-MCIONIFRSA-N 1 2 327.400 0.558 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCOC[C@@H]2c2ccc(CC)o2)CC1 ZINC000490760620 439295645 /nfs/dbraw/zinc/29/56/45/439295645.db2.gz OFKYTDJECKHKCS-QGZVFWFLSA-N 1 2 345.443 0.993 20 30 ECEDLO C#CCNS(=O)(=O)c1ccc(C(=O)OCc2c[nH+]cn2C)cc1 ZINC000490780577 439297178 /nfs/dbraw/zinc/29/71/78/439297178.db2.gz MEZZIBNFGMMDID-UHFFFAOYSA-N 1 2 333.369 0.689 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)CC1 ZINC000490871867 439306103 /nfs/dbraw/zinc/30/61/03/439306103.db2.gz CTHBZZINUKFJNB-IXDOHACOSA-N 1 2 335.448 0.032 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)CC1 ZINC000490871867 439306106 /nfs/dbraw/zinc/30/61/06/439306106.db2.gz CTHBZZINUKFJNB-IXDOHACOSA-N 1 2 335.448 0.032 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc3c(c2)CN(C)C3=O)CC1 ZINC000490898317 439310591 /nfs/dbraw/zinc/31/05/91/439310591.db2.gz JNZBVDRQVNMCQK-UHFFFAOYSA-N 1 2 327.384 0.428 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](F)Cc2ccccc2)CC1 ZINC000490921942 439311012 /nfs/dbraw/zinc/31/10/12/439311012.db2.gz AZNOPQUGFPRMAJ-QGZVFWFLSA-N 1 2 345.418 0.851 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](F)Cc2ccccc2)CC1 ZINC000490921942 439311016 /nfs/dbraw/zinc/31/10/16/439311016.db2.gz AZNOPQUGFPRMAJ-QGZVFWFLSA-N 1 2 345.418 0.851 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(Cl)nc2C(N)=O)CC1 ZINC000490917106 439311711 /nfs/dbraw/zinc/31/17/11/439311711.db2.gz VYLLBFIJOKTDLT-UHFFFAOYSA-N 1 2 335.795 0.023 20 30 ECEDLO CNC(=O)NC[C@@H]1C[N@H+](CCCOc2cccc(C#N)c2)CCO1 ZINC000528621301 439351432 /nfs/dbraw/zinc/35/14/32/439351432.db2.gz GDJFSCNQIXGHNQ-MRXNPFEDSA-N 1 2 332.404 0.957 20 30 ECEDLO CNC(=O)NC[C@@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CCO1 ZINC000528621301 439351436 /nfs/dbraw/zinc/35/14/36/439351436.db2.gz GDJFSCNQIXGHNQ-MRXNPFEDSA-N 1 2 332.404 0.957 20 30 ECEDLO C#CCNC(=O)C1CCN(C(=O)NCc2c[nH+]ccc2OC)CC1 ZINC000491483945 439391990 /nfs/dbraw/zinc/39/19/90/439391990.db2.gz FVAYCXDIMUEJME-UHFFFAOYSA-N 1 2 330.388 0.761 20 30 ECEDLO C#CCN(C)c1cnc(-c2noc([C@@H]3C[N@H+](CC)CCO3)n2)cn1 ZINC000491700413 439431000 /nfs/dbraw/zinc/43/10/00/439431000.db2.gz KGAFHQKDCBRKML-ZDUSSCGKSA-N 1 2 328.376 0.989 20 30 ECEDLO C#CCN(C)c1cnc(-c2noc([C@@H]3C[N@@H+](CC)CCO3)n2)cn1 ZINC000491700413 439431005 /nfs/dbraw/zinc/43/10/05/439431005.db2.gz KGAFHQKDCBRKML-ZDUSSCGKSA-N 1 2 328.376 0.989 20 30 ECEDLO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)ncc1C#N ZINC000570693698 439440738 /nfs/dbraw/zinc/44/07/38/439440738.db2.gz GGNVWODXLWVHEZ-UHFFFAOYSA-N 1 2 345.403 0.427 20 30 ECEDLO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)ncc1C#N ZINC000570693698 439440741 /nfs/dbraw/zinc/44/07/41/439440741.db2.gz GGNVWODXLWVHEZ-UHFFFAOYSA-N 1 2 345.403 0.427 20 30 ECEDLO C#C[C@@H]1COCCN1C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000491754703 439442293 /nfs/dbraw/zinc/44/22/93/439442293.db2.gz UZEICGQOOVENEV-MRXNPFEDSA-N 1 2 344.411 0.923 20 30 ECEDLO C#C[C@@H]1COCCN1C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000491754703 439442298 /nfs/dbraw/zinc/44/22/98/439442298.db2.gz UZEICGQOOVENEV-MRXNPFEDSA-N 1 2 344.411 0.923 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@H](C)c2cc(C(=O)OC)c(C)o2)CC1 ZINC000491776870 439447678 /nfs/dbraw/zinc/44/76/78/439447678.db2.gz FMFQFDLNJUAAJZ-CYBMUJFWSA-N 1 2 347.415 0.803 20 30 ECEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)/C=C\c2ccc(OCC#N)cc2)C1 ZINC000491799577 439453482 /nfs/dbraw/zinc/45/34/82/439453482.db2.gz UZRPITKZPDVRJL-SBSDFTTDSA-N 1 2 328.416 0.964 20 30 ECEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)/C=C\c2ccc(OCC#N)cc2)C1 ZINC000491799577 439453485 /nfs/dbraw/zinc/45/34/85/439453485.db2.gz UZRPITKZPDVRJL-SBSDFTTDSA-N 1 2 328.416 0.964 20 30 ECEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](CC(N)=O)C2)cc1 ZINC000599666046 439531733 /nfs/dbraw/zinc/53/17/33/439531733.db2.gz WEBHOEOMLCIDFA-HOCLYGCPSA-N 1 2 333.388 0.069 20 30 ECEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](CC(N)=O)C2)cc1 ZINC000599666046 439531735 /nfs/dbraw/zinc/53/17/35/439531735.db2.gz WEBHOEOMLCIDFA-HOCLYGCPSA-N 1 2 333.388 0.069 20 30 ECEDLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1 ZINC000572080049 439554611 /nfs/dbraw/zinc/55/46/11/439554611.db2.gz FDOIVYLJMXVSEY-ZDUSSCGKSA-N 1 2 343.449 0.579 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)C1=O ZINC000532042724 439514625 /nfs/dbraw/zinc/51/46/25/439514625.db2.gz WRJACCHDJIZBBL-OAHLLOKOSA-N 1 2 328.420 0.509 20 30 ECEDLO C[C@H](CNC(=O)C(=O)NCC(C)(C)CC#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594621624 439583183 /nfs/dbraw/zinc/58/31/83/439583183.db2.gz MIQGEBQBLVRQBK-MCIONIFRSA-N 1 2 338.452 0.656 20 30 ECEDLO C[C@H](CNC(=O)C(=O)NCC(C)(C)CC#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594621624 439583188 /nfs/dbraw/zinc/58/31/88/439583188.db2.gz MIQGEBQBLVRQBK-MCIONIFRSA-N 1 2 338.452 0.656 20 30 ECEDLO COCC(=O)NC1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000609671582 439583791 /nfs/dbraw/zinc/58/37/91/439583791.db2.gz INAAHOCSKJYUIK-MRXNPFEDSA-N 1 2 330.388 0.312 20 30 ECEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000600419263 439653639 /nfs/dbraw/zinc/65/36/39/439653639.db2.gz GGMYQNQBIYYAHQ-SJORKVTESA-N 1 2 328.416 0.974 20 30 ECEDLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000600419263 439653642 /nfs/dbraw/zinc/65/36/42/439653642.db2.gz GGMYQNQBIYYAHQ-SJORKVTESA-N 1 2 328.416 0.974 20 30 ECEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000600419261 439654093 /nfs/dbraw/zinc/65/40/93/439654093.db2.gz GGMYQNQBIYYAHQ-IRXDYDNUSA-N 1 2 328.416 0.974 20 30 ECEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000600419261 439654096 /nfs/dbraw/zinc/65/40/96/439654096.db2.gz GGMYQNQBIYYAHQ-IRXDYDNUSA-N 1 2 328.416 0.974 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cn2)[C@H](C)CO1 ZINC000595124856 439657475 /nfs/dbraw/zinc/65/74/75/439657475.db2.gz GALZVHSEDUVMNR-VXGBXAGGSA-N 1 2 331.376 0.117 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cn2)[C@H](C)CO1 ZINC000595124856 439657478 /nfs/dbraw/zinc/65/74/78/439657478.db2.gz GALZVHSEDUVMNR-VXGBXAGGSA-N 1 2 331.376 0.117 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)[C@@H](C)CO1 ZINC000595127132 439658014 /nfs/dbraw/zinc/65/80/14/439658014.db2.gz ZRXQRLYLHQBXTO-NWDGAFQWSA-N 1 2 348.378 0.861 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)[C@@H](C)CO1 ZINC000595127132 439658018 /nfs/dbraw/zinc/65/80/18/439658018.db2.gz ZRXQRLYLHQBXTO-NWDGAFQWSA-N 1 2 348.378 0.861 20 30 ECEDLO C[C@]1(C#N)CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000595156763 439663777 /nfs/dbraw/zinc/66/37/77/439663777.db2.gz XFEXWGUZXJSBOD-MAUKXSAKSA-N 1 2 348.447 0.462 20 30 ECEDLO COC(=O)CCN1CC[C@@H]([NH+]2CCN([C@@H](C#N)C(C)C)CC2)C1=O ZINC000595399986 439721784 /nfs/dbraw/zinc/72/17/84/439721784.db2.gz ZULGYKJUNYBQKG-CABCVRRESA-N 1 2 336.436 0.316 20 30 ECEDLO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611174684 439677488 /nfs/dbraw/zinc/67/74/88/439677488.db2.gz ORWUBYZQBGALBP-HUUCEWRRSA-N 1 2 335.452 0.922 20 30 ECEDLO CN(C)C(=O)C[NH+]1CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000611253103 439684592 /nfs/dbraw/zinc/68/45/92/439684592.db2.gz ZCWKZKNNEBBCFU-UHFFFAOYSA-N 1 2 326.404 0.412 20 30 ECEDLO N#Cc1cc(C(=O)N(CCO)CC[NH+]2CCOCC2)ccc1Cl ZINC000612621653 439732158 /nfs/dbraw/zinc/73/21/58/439732158.db2.gz FRKCAEVMTAMOKE-UHFFFAOYSA-N 1 2 337.807 0.978 20 30 ECEDLO N#CC1(CS(=O)(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCCC1 ZINC000612680987 439736079 /nfs/dbraw/zinc/73/60/79/439736079.db2.gz LROCMZWODAINDJ-AWEZNQCLSA-N 1 2 327.450 0.807 20 30 ECEDLO N#C[C@]1(F)CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000615538559 439801883 /nfs/dbraw/zinc/80/18/83/439801883.db2.gz PRKUOLHATQGREJ-CABCVRRESA-N 1 2 342.440 0.841 20 30 ECEDLO C=CC(C)(C)CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000636458225 439890416 /nfs/dbraw/zinc/89/04/16/439890416.db2.gz ZHMLQHZSCASIPH-UHFFFAOYSA-N 1 2 325.453 0.932 20 30 ECEDLO C=CCn1cc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)nn1 ZINC000648233086 440264328 /nfs/dbraw/zinc/26/43/28/440264328.db2.gz CIMDFHUOVJIKSR-UHFFFAOYSA-N 1 2 328.376 0.626 20 30 ECEDLO CC#CC[C@H](CO)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000649181046 440407196 /nfs/dbraw/zinc/40/71/96/440407196.db2.gz SGVOGXMIEZPLLE-HIFRSBDPSA-N 1 2 334.420 0.374 20 30 ECEDLO CC#CC[C@H](CO)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000649181046 440407201 /nfs/dbraw/zinc/40/72/01/440407201.db2.gz SGVOGXMIEZPLLE-HIFRSBDPSA-N 1 2 334.420 0.374 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCCN(Cc3[nH+]ccn3C)CC2)nn1 ZINC000644626734 440660963 /nfs/dbraw/zinc/66/09/63/440660963.db2.gz DGUYZKOSOGPHSO-UHFFFAOYSA-N 1 2 343.435 0.936 20 30 ECEDLO C=CCn1c(Cc2cc(C)n[nH]2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000634337703 440643492 /nfs/dbraw/zinc/64/34/92/440643492.db2.gz HJKGLVUXTRRKFU-HNNXBMFYSA-N 1 2 343.435 0.607 20 30 ECEDLO C=CCn1c(Cc2cc(C)n[nH]2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000634337703 440643498 /nfs/dbraw/zinc/64/34/98/440643498.db2.gz HJKGLVUXTRRKFU-HNNXBMFYSA-N 1 2 343.435 0.607 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2ccc3c(c2)OCO3)nn1 ZINC000640761283 440982388 /nfs/dbraw/zinc/98/23/88/440982388.db2.gz YPRQBMPEBWDMTM-UHFFFAOYSA-N 1 2 327.344 0.758 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCN(c3ccc(OCC)nn3)CC2)C1=O ZINC000662251433 440993525 /nfs/dbraw/zinc/99/35/25/440993525.db2.gz CCAQOWIVFZSALF-AWEZNQCLSA-N 1 2 331.420 0.784 20 30 ECEDLO C=CCCn1cc(C[NH2+][C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)nn1 ZINC000657381071 441003808 /nfs/dbraw/zinc/00/38/08/441003808.db2.gz CAWNOUPMNIJTED-IUODEOHRSA-N 1 2 329.408 0.871 20 30 ECEDLO COC(=O)c1ccc(N2CCN(Cc3[nH]cc[nH+]3)CC2)c(C#N)n1 ZINC000572975150 322754292 /nfs/dbraw/zinc/75/42/92/322754292.db2.gz MTTXHBUGCIGYCI-UHFFFAOYSA-N 1 2 326.360 0.785 20 30 ECEDLO N#Cc1nccc(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000574339345 322777538 /nfs/dbraw/zinc/77/75/38/322777538.db2.gz PDCZBVBIXNHHQL-UHFFFAOYSA-N 1 2 337.387 0.316 20 30 ECEDLO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCN(C(=O)COC)CC1 ZINC000078564599 545695255 /nfs/dbraw/zinc/69/52/55/545695255.db2.gz GLEWPQWPKIFVRB-KRWDZBQOSA-N 1 2 348.443 0.945 20 30 ECEDLO C[C@H](CNC(=O)NCCC(=O)N1CCCCC1)[NH+]1CCOCC1 ZINC000328826131 546007128 /nfs/dbraw/zinc/00/71/28/546007128.db2.gz QEJPJUPVAQDLJV-CQSZACIVSA-N 1 2 326.441 0.613 20 30 ECEDLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@@H]1CCCNC1=O ZINC000329578370 546028476 /nfs/dbraw/zinc/02/84/76/546028476.db2.gz TWMUCWAESZZDIB-GFCCVEGCSA-N 1 2 336.396 0.660 20 30 ECEDLO COCC[N@@H+]1CC[C@H](NC(=O)N2C[C@@H](C)S(=O)(=O)[C@@H](C)C2)C1 ZINC000329701008 546031953 /nfs/dbraw/zinc/03/19/53/546031953.db2.gz HDURBJWTMYCKRP-XQQFMLRXSA-N 1 2 333.454 0.129 20 30 ECEDLO COCC[N@H+]1CC[C@H](NC(=O)N2C[C@@H](C)S(=O)(=O)[C@@H](C)C2)C1 ZINC000329701008 546031957 /nfs/dbraw/zinc/03/19/57/546031957.db2.gz HDURBJWTMYCKRP-XQQFMLRXSA-N 1 2 333.454 0.129 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1=O ZINC000619620020 546349331 /nfs/dbraw/zinc/34/93/31/546349331.db2.gz MODODHPHUJGDFB-CQSZACIVSA-N 1 2 331.376 0.899 20 30 ECEDLO C=CCOCCNC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C ZINC000626403793 547348901 /nfs/dbraw/zinc/34/89/01/547348901.db2.gz AYUBIPBUWOBZCO-KBPBESRZSA-N 1 2 336.392 0.027 20 30 ECEDLO C=CCn1c(COC)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000669803966 547936449 /nfs/dbraw/zinc/93/64/49/547936449.db2.gz DHSDFWKKYKYLSH-UHFFFAOYSA-N 1 2 348.451 0.355 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCN(c3cncc4ncnn43)CC2)C1=O ZINC000685004945 549645153 /nfs/dbraw/zinc/64/51/53/549645153.db2.gz XWJIKLQFAXIDKO-ZDUSSCGKSA-N 1 2 327.392 0.033 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cncc(C)c3)C[C@H]2O)nc1 ZINC001078030347 782174846 /nfs/dbraw/zinc/17/48/46/782174846.db2.gz VBBWMKLNFRFEKR-QZTJIDSGSA-N 1 2 336.395 0.741 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cncc(C)c3)C[C@H]2O)nc1 ZINC001078030347 782174854 /nfs/dbraw/zinc/17/48/54/782174854.db2.gz VBBWMKLNFRFEKR-QZTJIDSGSA-N 1 2 336.395 0.741 20 30 ECEDLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000748454792 579324740 /nfs/dbraw/zinc/32/47/40/579324740.db2.gz AJFCARGCHSECSR-UONOGXRCSA-N 1 2 337.420 0.981 20 30 ECEDLO CC[N@H+]1CCO[C@@H](C(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000748454792 579324741 /nfs/dbraw/zinc/32/47/41/579324741.db2.gz AJFCARGCHSECSR-UONOGXRCSA-N 1 2 337.420 0.981 20 30 ECEDLO COCCNC(=O)C1CC[NH+](Cn2ccc(C)c(C#N)c2=O)CC1 ZINC000758183901 579468282 /nfs/dbraw/zinc/46/82/82/579468282.db2.gz BKUPNNCSRJGDRB-UHFFFAOYSA-N 1 2 332.404 0.461 20 30 ECEDLO C[C@@H](NC(=O)NCCNc1ccc(C#N)cn1)[C@@H](C)[NH+]1CCOCC1 ZINC000729592081 578297154 /nfs/dbraw/zinc/29/71/54/578297154.db2.gz FNFDQSTVYYEKHQ-ZIAGYGMSSA-N 1 2 346.435 0.774 20 30 ECEDLO C=C(C)C[NH+]1CCC(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC000730548598 578307690 /nfs/dbraw/zinc/30/76/90/578307690.db2.gz DFXAOEKQPLFDHZ-UHFFFAOYSA-N 1 2 330.392 0.228 20 30 ECEDLO CC(=[NH+]NC(=S)NCC(N)=O)c1cccc(N2CCOCC2)c1 ZINC000731928509 578317737 /nfs/dbraw/zinc/31/77/37/578317737.db2.gz PYRDRBAFLZQUDQ-UHFFFAOYSA-N 1 2 335.433 0.197 20 30 ECEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732811314 578330018 /nfs/dbraw/zinc/33/00/18/578330018.db2.gz SLOCFNJMAMTYHH-BXUZGUMPSA-N 1 2 346.353 0.890 20 30 ECEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732811314 578330019 /nfs/dbraw/zinc/33/00/19/578330019.db2.gz SLOCFNJMAMTYHH-BXUZGUMPSA-N 1 2 346.353 0.890 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)CC1 ZINC000733161265 578333132 /nfs/dbraw/zinc/33/31/32/578333132.db2.gz LQZQILCCGQKPDE-UHFFFAOYSA-N 1 2 336.395 0.734 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000735382254 578383196 /nfs/dbraw/zinc/38/31/96/578383196.db2.gz WMFWIHJSORTHDH-ZDUSSCGKSA-N 1 2 339.403 0.127 20 30 ECEDLO COc1c(C)c[nH+]c(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)c1C ZINC000800037604 578673031 /nfs/dbraw/zinc/67/30/31/578673031.db2.gz WEBSILFQZJYEHK-LBPRGKRZSA-N 1 2 340.405 0.266 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC000784223325 578749837 /nfs/dbraw/zinc/74/98/37/578749837.db2.gz PMSQQJNBNMFHSU-UHFFFAOYSA-N 1 2 325.409 0.719 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@H]1CCCO1 ZINC000788846391 578844321 /nfs/dbraw/zinc/84/43/21/578844321.db2.gz HPPDRHIEEXNAJU-HUUCEWRRSA-N 1 2 344.415 0.175 20 30 ECEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cc1cccc(OCC#N)c1 ZINC000765241064 579062963 /nfs/dbraw/zinc/06/29/63/579062963.db2.gz LCSRIFIJVWYRGO-HNNXBMFYSA-N 1 2 342.355 0.755 20 30 ECEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cc1cccc(OCC#N)c1 ZINC000765241064 579062964 /nfs/dbraw/zinc/06/29/64/579062964.db2.gz LCSRIFIJVWYRGO-HNNXBMFYSA-N 1 2 342.355 0.755 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1c[nH+]cn1C ZINC000766382012 579086877 /nfs/dbraw/zinc/08/68/77/579086877.db2.gz PCFIYXZLCPZVRV-LLVKDONJSA-N 1 2 348.384 0.702 20 30 ECEDLO COCC(=O)NC1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000766613419 579089970 /nfs/dbraw/zinc/08/99/70/579089970.db2.gz WMRVUFFXVBNLRJ-UHFFFAOYSA-N 1 2 344.415 0.393 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC000767932446 579119129 /nfs/dbraw/zinc/11/91/29/579119129.db2.gz VIUWGLFBPZLLKU-UHFFFAOYSA-N 1 2 329.400 0.479 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC000767932446 579119130 /nfs/dbraw/zinc/11/91/30/579119130.db2.gz VIUWGLFBPZLLKU-UHFFFAOYSA-N 1 2 329.400 0.479 20 30 ECEDLO C#C[C@H](NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)[C@H]1CCCO1 ZINC000776236221 579278485 /nfs/dbraw/zinc/27/84/85/579278485.db2.gz ZLQWSOGZWTXOSW-LSDHHAIUSA-N 1 2 329.404 0.797 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H](C)C(=O)N2CCC(C(=O)OC)CC2)CC1 ZINC000776592794 579285460 /nfs/dbraw/zinc/28/54/60/579285460.db2.gz NCVJKQBNQGLWDY-HNNXBMFYSA-N 1 2 335.448 0.427 20 30 ECEDLO N#CCc1ccccc1CC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000777406881 579297867 /nfs/dbraw/zinc/29/78/67/579297867.db2.gz JMPNOTCLEWFDMO-UHFFFAOYSA-N 1 2 338.415 0.731 20 30 ECEDLO COC(=O)c1cn([C@H]2CC[N@H+](Cn3ccc(C)c(C#N)c3=O)C2)nn1 ZINC000760539215 579512185 /nfs/dbraw/zinc/51/21/85/579512185.db2.gz CEJRWAFEYNSJPC-LBPRGKRZSA-N 1 2 342.359 0.311 20 30 ECEDLO COC(=O)c1cn([C@H]2CC[N@@H+](Cn3ccc(C)c(C#N)c3=O)C2)nn1 ZINC000760539215 579512186 /nfs/dbraw/zinc/51/21/86/579512186.db2.gz CEJRWAFEYNSJPC-LBPRGKRZSA-N 1 2 342.359 0.311 20 30 ECEDLO C[S@@](=O)CC[NH+]1CCN(C(=O)c2ccccc2OCC#N)CC1 ZINC000741288944 579770795 /nfs/dbraw/zinc/77/07/95/579770795.db2.gz JITZVXMGUIHDKF-HSZRJFAPSA-N 1 2 335.429 0.725 20 30 ECEDLO N#CCn1cc(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)cn1 ZINC000746378853 579837571 /nfs/dbraw/zinc/83/75/71/579837571.db2.gz FCGXRJKDMBFLQR-UHFFFAOYSA-N 1 2 338.371 0.477 20 30 ECEDLO C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000746435723 579839174 /nfs/dbraw/zinc/83/91/74/579839174.db2.gz QRUUKTHWJFAJJI-OCCSQVGLSA-N 1 2 341.375 0.651 20 30 ECEDLO N#Cc1ccc([C@H]2CN(C(=O)NCC[NH+]3CCOCC3)CCO2)cc1 ZINC000891449191 586169091 /nfs/dbraw/zinc/16/90/91/586169091.db2.gz NVGOWKRGHIJPMB-QGZVFWFLSA-N 1 2 344.415 0.973 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[NH+](CC(=O)N3CCOCC3)CC2)c1 ZINC000891560880 586177278 /nfs/dbraw/zinc/17/72/78/586177278.db2.gz FFJIBXBVDFFKGR-UHFFFAOYSA-N 1 2 329.404 0.243 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2COC)C1 ZINC000891607737 586181093 /nfs/dbraw/zinc/18/10/93/586181093.db2.gz RBWPCZCFFWRQLO-HNNXBMFYSA-N 1 2 329.400 0.985 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2COC)C1 ZINC000891607737 586181095 /nfs/dbraw/zinc/18/10/95/586181095.db2.gz RBWPCZCFFWRQLO-HNNXBMFYSA-N 1 2 329.400 0.985 20 30 ECEDLO C#CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](CC#C)C2)cc1 ZINC000891608489 586181487 /nfs/dbraw/zinc/18/14/87/586181487.db2.gz ZUTOTVFHESTEJQ-MRXNPFEDSA-N 1 2 339.395 0.851 20 30 ECEDLO C#CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](CC#C)C2)cc1 ZINC000891608489 586181490 /nfs/dbraw/zinc/18/14/90/586181490.db2.gz ZUTOTVFHESTEJQ-MRXNPFEDSA-N 1 2 339.395 0.851 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2OC)C1 ZINC000891606548 586181496 /nfs/dbraw/zinc/18/14/96/586181496.db2.gz GTNADKLGGBPQKZ-ZDUSSCGKSA-N 1 2 333.363 0.987 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2OC)C1 ZINC000891606548 586181498 /nfs/dbraw/zinc/18/14/98/586181498.db2.gz GTNADKLGGBPQKZ-ZDUSSCGKSA-N 1 2 333.363 0.987 20 30 ECEDLO C#CC1(O)CN(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccc(C)cc2)C1 ZINC000891638756 586183998 /nfs/dbraw/zinc/18/39/98/586183998.db2.gz OSEBNJSBQXGXTE-QGZVFWFLSA-N 1 2 343.427 0.758 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000895916238 586212661 /nfs/dbraw/zinc/21/26/61/586212661.db2.gz WXQFFTHRZARMBF-UHFFFAOYSA-N 1 2 327.381 0.117 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(C(F)F)nc2)CC1 ZINC000895919344 586212765 /nfs/dbraw/zinc/21/27/65/586212765.db2.gz UJJLRAGNFNOXOU-UHFFFAOYSA-N 1 2 344.387 0.604 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc3c(c2)CCCO3)CC1 ZINC000895922408 586213382 /nfs/dbraw/zinc/21/33/82/586213382.db2.gz GINNADWJYUQRMZ-UHFFFAOYSA-N 1 2 349.456 0.597 20 30 ECEDLO Cn1c[nH+]c(CNC(=O)N2CCN(c3cnccc3C#N)CC2)c1 ZINC000898618667 586438137 /nfs/dbraw/zinc/43/81/37/586438137.db2.gz APWBWQXRULKBGN-UHFFFAOYSA-N 1 2 325.376 0.719 20 30 ECEDLO C[S@@](=O)CC[NH+]1CCN(C(=O)c2cccc(C#CCO)c2)CC1 ZINC000900809059 586665820 /nfs/dbraw/zinc/66/58/20/586665820.db2.gz LEAWZXOLFRLSSG-HSZRJFAPSA-N 1 2 334.441 0.167 20 30 ECEDLO N#C[C@H]1C[NH2+]CC12CC(C(=O)NS(=O)(=O)c1ccsc1)C2 ZINC000901031734 586684395 /nfs/dbraw/zinc/68/43/95/586684395.db2.gz SNOVCKMJJKRPNT-QUNCOHTASA-N 1 2 325.415 0.692 20 30 ECEDLO COCC[C@@H]1CCN(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)C1=O ZINC000902067628 586719491 /nfs/dbraw/zinc/71/94/91/586719491.db2.gz ZKVAMRXLRBYWOR-INIZCTEOSA-N 1 2 343.431 0.918 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cnn(CC(F)(F)F)c2)CC1 ZINC000902196284 586724926 /nfs/dbraw/zinc/72/49/26/586724926.db2.gz UOUVNYXBZWOMLT-UHFFFAOYSA-N 1 2 329.326 0.635 20 30 ECEDLO C[N@@H+]1CCO[C@H](C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000904184601 586831917 /nfs/dbraw/zinc/83/19/17/586831917.db2.gz UVHNMYIPOFPEPK-AWEZNQCLSA-N 1 2 347.371 0.221 20 30 ECEDLO C[N@H+]1CCO[C@H](C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000904184601 586831920 /nfs/dbraw/zinc/83/19/20/586831920.db2.gz UVHNMYIPOFPEPK-AWEZNQCLSA-N 1 2 347.371 0.221 20 30 ECEDLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000805473213 586910284 /nfs/dbraw/zinc/91/02/84/586910284.db2.gz STGIGWCUOZOZDK-XEZPLFJOSA-N 1 2 325.409 0.693 20 30 ECEDLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000805473213 586910285 /nfs/dbraw/zinc/91/02/85/586910285.db2.gz STGIGWCUOZOZDK-XEZPLFJOSA-N 1 2 325.409 0.693 20 30 ECEDLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000805474849 586910413 /nfs/dbraw/zinc/91/04/13/586910413.db2.gz SZOCWQSXUAAVDH-OLZOCXBDSA-N 1 2 349.412 0.989 20 30 ECEDLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000805474849 586910416 /nfs/dbraw/zinc/91/04/16/586910416.db2.gz SZOCWQSXUAAVDH-OLZOCXBDSA-N 1 2 349.412 0.989 20 30 ECEDLO C[C@@H](OC(=O)c1cc(C#N)cs1)C(=O)NCC[NH+]1CCOCC1 ZINC000805972672 586949973 /nfs/dbraw/zinc/94/99/73/586949973.db2.gz ZQUSTQDMWDSDPI-LLVKDONJSA-N 1 2 337.401 0.613 20 30 ECEDLO C[C@@H](C#N)OCC[NH+]1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000801910746 587005712 /nfs/dbraw/zinc/00/57/12/587005712.db2.gz WPICOHFTIAYRNR-INIZCTEOSA-N 1 2 330.432 0.849 20 30 ECEDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)COc1cccc(C#N)c1 ZINC000807281176 587123290 /nfs/dbraw/zinc/12/32/90/587123290.db2.gz PVODZUDHEWUJGJ-AWEZNQCLSA-N 1 2 328.328 0.492 20 30 ECEDLO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C[C@H](O)CC#N ZINC000809574937 587180262 /nfs/dbraw/zinc/18/02/62/587180262.db2.gz WCQDEBIKBWYDPD-SNVBAGLBSA-N 1 2 327.182 0.989 20 30 ECEDLO C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@H](O)CC#N ZINC000809574937 587180264 /nfs/dbraw/zinc/18/02/64/587180264.db2.gz WCQDEBIKBWYDPD-SNVBAGLBSA-N 1 2 327.182 0.989 20 30 ECEDLO C[C@H](C(=O)O[C@@H]1CCC[N@H+](Cc2ncccn2)C1)n1cnc(C#N)n1 ZINC000810741012 587202656 /nfs/dbraw/zinc/20/26/56/587202656.db2.gz VSDNIZFNCJRFMM-CHWSQXEVSA-N 1 2 341.375 0.709 20 30 ECEDLO C[C@H](C(=O)O[C@@H]1CCC[N@@H+](Cc2ncccn2)C1)n1cnc(C#N)n1 ZINC000810741012 587202658 /nfs/dbraw/zinc/20/26/58/587202658.db2.gz VSDNIZFNCJRFMM-CHWSQXEVSA-N 1 2 341.375 0.709 20 30 ECEDLO CC(C)(C)c1n[nH]cc1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000812386416 587236728 /nfs/dbraw/zinc/23/67/28/587236728.db2.gz SYRNPHUSCYFSTI-UHFFFAOYSA-N 1 2 338.481 0.837 20 30 ECEDLO CCCC[C@H](ON=C(C)C)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000816506423 587314880 /nfs/dbraw/zinc/31/48/80/587314880.db2.gz CEBFWDQDVVXMIZ-CABCVRRESA-N 1 2 329.441 0.767 20 30 ECEDLO COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000819230582 587473029 /nfs/dbraw/zinc/47/30/29/587473029.db2.gz XAXHMRKACIOUIU-BFHYXJOUSA-N 1 2 343.424 0.359 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccccc1-c1nn[nH]n1 ZINC000822810344 587681689 /nfs/dbraw/zinc/68/16/89/587681689.db2.gz GBOXJHUCQNVTMG-UHFFFAOYSA-N 1 2 341.419 0.915 20 30 ECEDLO N#CCC[N@H+](CCN1CCOCC1)Cc1ccccc1-c1nn[nH]n1 ZINC000822810344 587681690 /nfs/dbraw/zinc/68/16/90/587681690.db2.gz GBOXJHUCQNVTMG-UHFFFAOYSA-N 1 2 341.419 0.915 20 30 ECEDLO N#CCC[N@@H+](CCN1CCOCC1)Cc1ccccc1-c1nn[nH]n1 ZINC000822810344 587681691 /nfs/dbraw/zinc/68/16/91/587681691.db2.gz GBOXJHUCQNVTMG-UHFFFAOYSA-N 1 2 341.419 0.915 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCN(C(=O)[O-])CC2)CC1 ZINC000823444770 587721223 /nfs/dbraw/zinc/72/12/23/587721223.db2.gz QAFTUOLUIATUJQ-UHFFFAOYSA-N 1 2 336.436 0.228 20 30 ECEDLO COCCOCC[NH+]1CCN(C(=O)C2(C#N)CCSCC2)CC1 ZINC000824121063 587855994 /nfs/dbraw/zinc/85/59/94/587855994.db2.gz VXCAJVUGYLOEGR-UHFFFAOYSA-N 1 2 341.477 0.831 20 30 ECEDLO C#CC1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000825973488 587976896 /nfs/dbraw/zinc/97/68/96/587976896.db2.gz HOWAAYPGZDEAQE-UHFFFAOYSA-N 1 2 341.477 0.550 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2CC3(CC3(F)F)C2)CC1 ZINC000826550700 588069499 /nfs/dbraw/zinc/06/94/99/588069499.db2.gz VRRUKHIPZZHSII-UHFFFAOYSA-N 1 2 339.386 0.706 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2CC3(CC3(F)F)C2)CC1 ZINC000826550700 588069500 /nfs/dbraw/zinc/06/95/00/588069500.db2.gz VRRUKHIPZZHSII-UHFFFAOYSA-N 1 2 339.386 0.706 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C#N)ccc2F)CC1 ZINC000826554777 588069885 /nfs/dbraw/zinc/06/98/85/588069885.db2.gz NDADDXUIEQBLKG-UHFFFAOYSA-N 1 2 342.374 0.595 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C#N)ccc2F)CC1 ZINC000826554777 588069886 /nfs/dbraw/zinc/06/98/86/588069886.db2.gz NDADDXUIEQBLKG-UHFFFAOYSA-N 1 2 342.374 0.595 20 30 ECEDLO C#CCCN(CCOC)C(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000828404459 588176930 /nfs/dbraw/zinc/17/69/30/588176930.db2.gz RPCVKIMNUMOAHK-UHFFFAOYSA-N 1 2 328.372 0.449 20 30 ECEDLO C=CCC1(O)CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000829695648 588336439 /nfs/dbraw/zinc/33/64/39/588336439.db2.gz LUFLEZBTYQMVGY-CVEARBPZSA-N 1 2 338.448 0.796 20 30 ECEDLO N#C[C@H](C(=O)C[N@H+]1CCC[C@@H](O)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000844466299 589111778 /nfs/dbraw/zinc/11/17/78/589111778.db2.gz QUVYYOSONUGVSO-DGCLKSJQSA-N 1 2 326.356 0.968 20 30 ECEDLO N#C[C@H](C(=O)C[N@@H+]1CCC[C@@H](O)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000844466299 589111780 /nfs/dbraw/zinc/11/17/80/589111780.db2.gz QUVYYOSONUGVSO-DGCLKSJQSA-N 1 2 326.356 0.968 20 30 ECEDLO C#CCOCCNC(=O)c1ccc(NCC[NH+]2CCOCC2)c(F)c1 ZINC000867369854 589121940 /nfs/dbraw/zinc/12/19/40/589121940.db2.gz HSPRRHQBOWGIFW-UHFFFAOYSA-N 1 2 349.406 0.949 20 30 ECEDLO C#C[C@H](NC(=O)N1CC[NH+](CCOCCOC)CC1)[C@@H]1CCCO1 ZINC000845124247 589133302 /nfs/dbraw/zinc/13/33/02/589133302.db2.gz PGNRFEQQEVJJKK-HOTGVXAUSA-N 1 2 339.436 0.157 20 30 ECEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)Oc2cccc(OCC#N)c2)C1 ZINC000867406529 589190843 /nfs/dbraw/zinc/19/08/43/589190843.db2.gz HECVFWOOFLAFTK-CQSZACIVSA-N 1 2 326.374 0.628 20 30 ECEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)Oc2cccc(OCC#N)c2)C1 ZINC000867406529 589190845 /nfs/dbraw/zinc/19/08/45/589190845.db2.gz HECVFWOOFLAFTK-CQSZACIVSA-N 1 2 326.374 0.628 20 30 ECEDLO C[NH+](C)CCNC(=O)C[C@H]1S/C(=N\Cc2ccccc2)NC1=O ZINC000106898524 589251679 /nfs/dbraw/zinc/25/16/79/589251679.db2.gz XREALANZWVSHBR-CYBMUJFWSA-N 1 2 334.445 0.842 20 30 ECEDLO C=CCOCCCNC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000850661648 589376841 /nfs/dbraw/zinc/37/68/41/589376841.db2.gz BDYYAEPNFAVOMR-CQSZACIVSA-N 1 2 334.420 0.835 20 30 ECEDLO C#CC[C@H]1CCCN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000850681566 589378952 /nfs/dbraw/zinc/37/89/52/589378952.db2.gz AHAJHXQWKTWHBD-HOTGVXAUSA-N 1 2 333.432 0.181 20 30 ECEDLO C[NH+](C)[C@@H](C(=O)NCCNC(=O)C1N=CC=CC1=O)c1ccccc1 ZINC000109927218 589400852 /nfs/dbraw/zinc/40/08/52/589400852.db2.gz FTCMFYRRWFCXHX-IBOXJLQUSA-N 1 2 342.399 0.932 20 30 ECEDLO C=CC[N@@H+](C[C@](O)(C(N)=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000851840841 589427817 /nfs/dbraw/zinc/42/78/17/589427817.db2.gz JNCNPMNAOWWFEJ-GDBMZVCRSA-N 1 2 338.429 0.035 20 30 ECEDLO C=CC[N@H+](C[C@](O)(C(N)=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000851840841 589427819 /nfs/dbraw/zinc/42/78/19/589427819.db2.gz JNCNPMNAOWWFEJ-GDBMZVCRSA-N 1 2 338.429 0.035 20 30 ECEDLO C=CC[N@H+](CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O)[C@H](C)COC ZINC000853535616 589546663 /nfs/dbraw/zinc/54/66/63/589546663.db2.gz XOURLIKJCOCAIJ-HIFRSBDPSA-N 1 2 334.420 0.818 20 30 ECEDLO C=CC[N@@H+](CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O)[C@H](C)COC ZINC000853535616 589546665 /nfs/dbraw/zinc/54/66/65/589546665.db2.gz XOURLIKJCOCAIJ-HIFRSBDPSA-N 1 2 334.420 0.818 20 30 ECEDLO C=C[C@H](O)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000854443247 589586498 /nfs/dbraw/zinc/58/64/98/589586498.db2.gz SBFDPWDFAYFCJN-KGLIPLIRSA-N 1 2 339.436 0.687 20 30 ECEDLO C=C[C@H](O)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000854484892 589589281 /nfs/dbraw/zinc/58/92/81/589589281.db2.gz QTBPFJXAQPRUGI-KGLIPLIRSA-N 1 2 339.436 0.687 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000854568268 589593573 /nfs/dbraw/zinc/59/35/73/589593573.db2.gz KOZUKJMHPUSKRX-HUUCEWRRSA-N 1 2 326.462 0.691 20 30 ECEDLO C#CCOCCC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000856327772 589660352 /nfs/dbraw/zinc/66/03/52/589660352.db2.gz DSBQMROPMWPVIL-SFHVURJKSA-N 1 2 329.444 0.959 20 30 ECEDLO C#CCOCCC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000856327772 589660353 /nfs/dbraw/zinc/66/03/53/589660353.db2.gz DSBQMROPMWPVIL-SFHVURJKSA-N 1 2 329.444 0.959 20 30 ECEDLO CN(OCC(F)(F)F)C(=O)C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000857248337 589690904 /nfs/dbraw/zinc/69/09/04/589690904.db2.gz GPBFTBJHZUBAOS-LBPRGKRZSA-N 1 2 344.293 0.627 20 30 ECEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000858841219 589778226 /nfs/dbraw/zinc/77/82/26/589778226.db2.gz PLNUNHCCMIHINT-DLBZAZTESA-N 1 2 344.415 0.972 20 30 ECEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000858841219 589778228 /nfs/dbraw/zinc/77/82/28/589778228.db2.gz PLNUNHCCMIHINT-DLBZAZTESA-N 1 2 344.415 0.972 20 30 ECEDLO C#C[C@@H](OC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C)C1CC1 ZINC000860629714 589788322 /nfs/dbraw/zinc/78/83/22/589788322.db2.gz PMTJZAFVDNZJLW-SNPRPXQTSA-N 1 2 331.372 0.664 20 30 ECEDLO CC[C@H](CC#N)OC(=O)[C@@H]1OCC(=O)N(CC)[C@H]1c1[nH+]ccn1C ZINC000860695275 589793425 /nfs/dbraw/zinc/79/34/25/589793425.db2.gz SMQLUAKHVVSFMF-MRVWCRGKSA-N 1 2 334.376 0.944 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000859119913 589801337 /nfs/dbraw/zinc/80/13/37/589801337.db2.gz YAEZNQMJYHYLHZ-KRWDZBQOSA-N 1 2 346.475 0.287 20 30 ECEDLO CCOC(=O)[C@H]1C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)CCO1 ZINC000859148458 589803094 /nfs/dbraw/zinc/80/30/94/589803094.db2.gz RCMHYBABCXFNBF-ZIAGYGMSSA-N 1 2 326.393 0.322 20 30 ECEDLO CCOC(=O)[C@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)CCO1 ZINC000859148458 589803097 /nfs/dbraw/zinc/80/30/97/589803097.db2.gz RCMHYBABCXFNBF-ZIAGYGMSSA-N 1 2 326.393 0.322 20 30 ECEDLO N#Cc1cccc([C@H](NC(=O)CN2CC[NH2+]CC2=O)C(F)(F)F)c1 ZINC000868051500 589870778 /nfs/dbraw/zinc/87/07/78/589870778.db2.gz GRDSVRSHISCEOZ-AWEZNQCLSA-N 1 2 340.305 0.710 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(Cc3cc(C)[nH]n3)n2CC=C)CC1 ZINC000871049628 590047273 /nfs/dbraw/zinc/04/72/73/590047273.db2.gz IVPXSPBKHMHUNK-UHFFFAOYSA-N 1 2 325.420 0.842 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(Cc3cc(C)n[nH]3)n2CC=C)CC1 ZINC000871049628 590047276 /nfs/dbraw/zinc/04/72/76/590047276.db2.gz IVPXSPBKHMHUNK-UHFFFAOYSA-N 1 2 325.420 0.842 20 30 ECEDLO COCCN(C)c1ccc(C[NH+]2CCN(C(=O)CC#N)CC2)cn1 ZINC000864049432 590053008 /nfs/dbraw/zinc/05/30/08/590053008.db2.gz REWPPLGJDYZOOP-UHFFFAOYSA-N 1 2 331.420 0.722 20 30 ECEDLO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000864638723 590090275 /nfs/dbraw/zinc/09/02/75/590090275.db2.gz GGKXLWYBYHBSAT-CVEARBPZSA-N 1 2 343.362 0.991 20 30 ECEDLO Cn1nncc1NN=Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872379086 590115455 /nfs/dbraw/zinc/11/54/55/590115455.db2.gz NEVJGMUINLEUAS-UHFFFAOYSA-N 1 2 330.392 0.972 20 30 ECEDLO Cn1nncc1N=NCc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872379086 590115457 /nfs/dbraw/zinc/11/54/57/590115457.db2.gz NEVJGMUINLEUAS-UHFFFAOYSA-N 1 2 330.392 0.972 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C(C)(C)[C@@H]2CCCCO2)CC1 ZINC000865178126 590129829 /nfs/dbraw/zinc/12/98/29/590129829.db2.gz SFQGJFDPVZOEST-INIZCTEOSA-N 1 2 349.475 0.865 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)[C@@H]2CCCCO2)CC1 ZINC000865178126 590129830 /nfs/dbraw/zinc/12/98/30/590129830.db2.gz SFQGJFDPVZOEST-INIZCTEOSA-N 1 2 349.475 0.865 20 30 ECEDLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(C#N)c2)CC1 ZINC000873749684 590200033 /nfs/dbraw/zinc/20/00/33/590200033.db2.gz VFGKHFUZWRHPAZ-UHFFFAOYSA-N 1 2 346.387 0.296 20 30 ECEDLO Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000873810748 590203205 /nfs/dbraw/zinc/20/32/05/590203205.db2.gz ZOULFCHARMZTOL-LBPRGKRZSA-N 1 2 348.378 0.469 20 30 ECEDLO Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000873810748 590203207 /nfs/dbraw/zinc/20/32/07/590203207.db2.gz ZOULFCHARMZTOL-LBPRGKRZSA-N 1 2 348.378 0.469 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000875641796 590318093 /nfs/dbraw/zinc/31/80/93/590318093.db2.gz KHAYDLNJSORMRT-JJXSEGSLSA-N 1 2 344.415 0.890 20 30 ECEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]3OCCNC(=O)[C@@H]32)cc1 ZINC000879716568 590336848 /nfs/dbraw/zinc/33/68/48/590336848.db2.gz OGWDZUAKKMJKJA-DJIMGWMZSA-N 1 2 345.399 0.277 20 30 ECEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]3OCCNC(=O)[C@@H]32)cc1 ZINC000879716568 590336851 /nfs/dbraw/zinc/33/68/51/590336851.db2.gz OGWDZUAKKMJKJA-DJIMGWMZSA-N 1 2 345.399 0.277 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879932767 590351737 /nfs/dbraw/zinc/35/17/37/590351737.db2.gz MOUXEFGORQRTOU-RDBSUJKOSA-N 1 2 327.450 0.361 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879932767 590351740 /nfs/dbraw/zinc/35/17/40/590351740.db2.gz MOUXEFGORQRTOU-RDBSUJKOSA-N 1 2 327.450 0.361 20 30 ECEDLO CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000876284884 590371221 /nfs/dbraw/zinc/37/12/21/590371221.db2.gz YVHVYRODUMZYIL-KRWDZBQOSA-N 1 2 328.416 0.999 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1 ZINC000128280679 590375727 /nfs/dbraw/zinc/37/57/27/590375727.db2.gz YHAPVJGHGDUZNL-HNNXBMFYSA-N 1 2 341.411 0.826 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)CN(C)C(=O)OC(C)(C)C)nn1 ZINC000881422789 590454311 /nfs/dbraw/zinc/45/43/11/590454311.db2.gz GWGVMMGISKKVIB-CQSZACIVSA-N 1 2 337.424 0.619 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)CC2(C)CCC2)CC1 ZINC000881908319 590490390 /nfs/dbraw/zinc/49/03/90/590490390.db2.gz NKZKINVGKXVQMJ-UHFFFAOYSA-N 1 2 341.477 0.264 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)CC2(C)CCC2)CC1 ZINC000881908319 590490391 /nfs/dbraw/zinc/49/03/91/590490391.db2.gz NKZKINVGKXVQMJ-UHFFFAOYSA-N 1 2 341.477 0.264 20 30 ECEDLO CNC(=O)[C@@H]1C[N@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)CCO1 ZINC000878397275 590519644 /nfs/dbraw/zinc/51/96/44/590519644.db2.gz TXLZAJLAFOOKPP-WMZOPIPTSA-N 1 2 329.400 0.874 20 30 ECEDLO CNC(=O)[C@@H]1C[N@@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)CCO1 ZINC000878397275 590519647 /nfs/dbraw/zinc/51/96/47/590519647.db2.gz TXLZAJLAFOOKPP-WMZOPIPTSA-N 1 2 329.400 0.874 20 30 ECEDLO CCOC(=O)C1=C(C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)NC(=O)N[C@@H]1C ZINC000878776196 590541598 /nfs/dbraw/zinc/54/15/98/590541598.db2.gz IWIORUMSYDEJLK-RWMBFGLXSA-N 1 2 349.435 0.423 20 30 ECEDLO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000885310442 590712604 /nfs/dbraw/zinc/71/26/04/590712604.db2.gz BFUABFCOZPJXCH-XUJVJEKNSA-N 1 2 325.434 0.256 20 30 ECEDLO CC(C)(C)[N@H+]1CC[C@H]1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000885310442 590712606 /nfs/dbraw/zinc/71/26/06/590712606.db2.gz BFUABFCOZPJXCH-XUJVJEKNSA-N 1 2 325.434 0.256 20 30 ECEDLO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000885310441 590712823 /nfs/dbraw/zinc/71/28/23/590712823.db2.gz BFUABFCOZPJXCH-JMSVASOKSA-N 1 2 325.434 0.256 20 30 ECEDLO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000885310441 590712826 /nfs/dbraw/zinc/71/28/26/590712826.db2.gz BFUABFCOZPJXCH-JMSVASOKSA-N 1 2 325.434 0.256 20 30 ECEDLO CC1CC[NH+](CC(=O)N2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 ZINC000885317499 590715317 /nfs/dbraw/zinc/71/53/17/590715317.db2.gz YCTYGLFPGVGWAS-HIFRSBDPSA-N 1 2 325.434 0.115 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)C[C@]2(OC(C)C)CCOC2)C1 ZINC000885509684 590728676 /nfs/dbraw/zinc/72/86/76/590728676.db2.gz WIWHBQGZNYAIJE-CVEARBPZSA-N 1 2 344.477 0.588 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)C[C@]2(OC(C)C)CCOC2)C1 ZINC000885509684 590728678 /nfs/dbraw/zinc/72/86/78/590728678.db2.gz WIWHBQGZNYAIJE-CVEARBPZSA-N 1 2 344.477 0.588 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)C[C@@H](OC)C2CCOCC2)C1 ZINC000885508311 590728729 /nfs/dbraw/zinc/72/87/29/590728729.db2.gz FHEFOWMNGMUKTR-JKSUJKDBSA-N 1 2 344.477 0.445 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)C[C@@H](OC)C2CCOCC2)C1 ZINC000885508311 590728732 /nfs/dbraw/zinc/72/87/32/590728732.db2.gz FHEFOWMNGMUKTR-JKSUJKDBSA-N 1 2 344.477 0.445 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)OCC)o2)C1 ZINC000885511559 590730355 /nfs/dbraw/zinc/73/03/55/590730355.db2.gz JMCAPQXAWJOCQY-LBPRGKRZSA-N 1 2 340.401 0.832 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)OCC)o2)C1 ZINC000885511559 590730357 /nfs/dbraw/zinc/73/03/57/590730357.db2.gz JMCAPQXAWJOCQY-LBPRGKRZSA-N 1 2 340.401 0.832 20 30 ECEDLO N#CC1(C[C@H](O)C[NH+]2CCN(C(=O)C(=O)N3CCCC3)CC2)CCC1 ZINC000885959317 590783851 /nfs/dbraw/zinc/78/38/51/590783851.db2.gz XRWMSUIMNXMGRI-HNNXBMFYSA-N 1 2 348.447 0.198 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCCS(=O)(=O)C2)C1 ZINC000884349656 590812540 /nfs/dbraw/zinc/81/25/40/590812540.db2.gz BGHIJUMPZGFVRY-ZIAGYGMSSA-N 1 2 327.450 0.208 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCCS(=O)(=O)C2)C1 ZINC000884349656 590812542 /nfs/dbraw/zinc/81/25/42/590812542.db2.gz BGHIJUMPZGFVRY-ZIAGYGMSSA-N 1 2 327.450 0.208 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000884409601 590821929 /nfs/dbraw/zinc/82/19/29/590821929.db2.gz NOIDEGUAEFIFQX-SOUVJXGZSA-N 1 2 334.420 0.694 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000011380410 591193459 /nfs/dbraw/zinc/19/34/59/591193459.db2.gz ZKPAJFUBGXHYRY-UHFFFAOYSA-N 1 2 346.347 0.555 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)nc1 ZINC000948000868 611377208 /nfs/dbraw/zinc/37/72/08/611377208.db2.gz WUQCTVZCVFFCDC-UHFFFAOYSA-N 1 2 337.383 0.750 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000948102399 611428589 /nfs/dbraw/zinc/42/85/89/611428589.db2.gz KVMWKZGGCAJZGV-STQMWFEESA-N 1 2 329.404 0.712 20 30 ECEDLO C#CC[C@@H]1NC(=O)N(C[C@@H]2CN(C)CC[N@@H+]2Cc2ccccc2)C1=O ZINC000925371830 611475834 /nfs/dbraw/zinc/47/58/34/611475834.db2.gz QUTBIZKQZPDGJV-IRXDYDNUSA-N 1 2 340.427 0.746 20 30 ECEDLO C#CC[C@@H]1NC(=O)N(C[C@@H]2CN(C)CC[N@H+]2Cc2ccccc2)C1=O ZINC000925371830 611475835 /nfs/dbraw/zinc/47/58/35/611475835.db2.gz QUTBIZKQZPDGJV-IRXDYDNUSA-N 1 2 340.427 0.746 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000947504181 611570649 /nfs/dbraw/zinc/57/06/49/611570649.db2.gz XQNUXLDEVHZXTR-CVEARBPZSA-N 1 2 346.431 0.661 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCn4ccnc4C3)CC2)C1 ZINC000949401963 608669304 /nfs/dbraw/zinc/66/93/04/608669304.db2.gz RLVTWLVVYIPDGS-INIZCTEOSA-N 1 2 342.443 0.772 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCn4ccnc4C3)CC2)C1 ZINC000949401963 608669308 /nfs/dbraw/zinc/66/93/08/608669308.db2.gz RLVTWLVVYIPDGS-INIZCTEOSA-N 1 2 342.443 0.772 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C[C@H](C)N3CCCC3=O)CC2)C1 ZINC000949512306 608726444 /nfs/dbraw/zinc/72/64/44/608726444.db2.gz WRJOUGKXYGWXOF-INIZCTEOSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C[C@H](C)N3CCCC3=O)CC2)C1 ZINC000949512306 608726447 /nfs/dbraw/zinc/72/64/47/608726447.db2.gz WRJOUGKXYGWXOF-INIZCTEOSA-N 1 2 347.459 0.714 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000947205331 608919867 /nfs/dbraw/zinc/91/98/67/608919867.db2.gz PBUYUPKVKFKTED-ZYHUDNBSSA-N 1 2 343.391 0.091 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000947205331 608919868 /nfs/dbraw/zinc/91/98/68/608919868.db2.gz PBUYUPKVKFKTED-ZYHUDNBSSA-N 1 2 343.391 0.091 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1nncn1C ZINC000947216013 608937317 /nfs/dbraw/zinc/93/73/17/608937317.db2.gz CVBBZWMRLSIESS-NWDGAFQWSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1nncn1C ZINC000947216013 608937318 /nfs/dbraw/zinc/93/73/18/608937318.db2.gz CVBBZWMRLSIESS-NWDGAFQWSA-N 1 2 327.392 0.798 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000937057656 608938798 /nfs/dbraw/zinc/93/87/98/608938798.db2.gz AKNMMYYTNSMEDN-CYBMUJFWSA-N 1 2 340.387 0.834 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)nn1 ZINC000937971617 609443386 /nfs/dbraw/zinc/44/33/86/609443386.db2.gz ZZQQDXUAPUCGKI-LBPRGKRZSA-N 1 2 343.391 0.069 20 30 ECEDLO C#CC[C@H](CO)NC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000923904433 609605624 /nfs/dbraw/zinc/60/56/24/609605624.db2.gz PPHBHBMDKWJOAX-CQSZACIVSA-N 1 2 339.436 0.476 20 30 ECEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1F)[C@@H]1C[N@H+](C)CCN1C ZINC000919998979 609669768 /nfs/dbraw/zinc/66/97/68/609669768.db2.gz DHYHRUWVZRIWPQ-FZMZJTMJSA-N 1 2 340.424 0.610 20 30 ECEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1F)[C@@H]1C[N@@H+](C)CCN1C ZINC000919998979 609669770 /nfs/dbraw/zinc/66/97/70/609669770.db2.gz DHYHRUWVZRIWPQ-FZMZJTMJSA-N 1 2 340.424 0.610 20 30 ECEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000928642185 611705802 /nfs/dbraw/zinc/70/58/02/611705802.db2.gz NBFVAPIZJDWTQU-OAHLLOKOSA-N 1 2 330.384 0.994 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000921093138 609698112 /nfs/dbraw/zinc/69/81/12/609698112.db2.gz LDRZHUPIBWVLBL-SNVBAGLBSA-N 1 2 331.467 0.773 20 30 ECEDLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NCC#CCO)C1 ZINC000923762463 609700886 /nfs/dbraw/zinc/70/08/86/609700886.db2.gz GVPUCCNALPSOQS-QGZVFWFLSA-N 1 2 330.432 0.098 20 30 ECEDLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NCC#CCO)C1 ZINC000923762463 609700888 /nfs/dbraw/zinc/70/08/88/609700888.db2.gz GVPUCCNALPSOQS-QGZVFWFLSA-N 1 2 330.432 0.098 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCC(S(=O)(=O)N2CCCCC2)CC1 ZINC000933095051 611708380 /nfs/dbraw/zinc/70/83/80/611708380.db2.gz ZQTJAKZZEUXVLR-CQSZACIVSA-N 1 2 341.477 0.404 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC000938532658 609846381 /nfs/dbraw/zinc/84/63/81/609846381.db2.gz MBTXHHUCMWQLRL-CYBMUJFWSA-N 1 2 343.391 0.034 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3)C2)nc1 ZINC000938967143 610058308 /nfs/dbraw/zinc/05/83/08/610058308.db2.gz QTVODOWZHUQTGE-OAHLLOKOSA-N 1 2 337.383 0.633 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000939407202 610193126 /nfs/dbraw/zinc/19/31/26/610193126.db2.gz ZQQKIEWQUOOIRW-HIFRSBDPSA-N 1 2 343.431 0.981 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000939515670 610224607 /nfs/dbraw/zinc/22/46/07/610224607.db2.gz PHODETCAECRTRB-TUVASFSCSA-N 1 2 346.431 0.897 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC000940384348 610274281 /nfs/dbraw/zinc/27/42/81/610274281.db2.gz VMCBNMVKECRHOE-FPCVCCKLSA-N 1 2 346.431 0.827 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@@H](C)c3cnn(C)c3)CC2)C1 ZINC000941498432 610343501 /nfs/dbraw/zinc/34/35/01/610343501.db2.gz CVSCZHRRLKTLML-OAHLLOKOSA-N 1 2 329.448 0.375 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCc3ccnc(C)n3)CC2)C1 ZINC000941502660 610346100 /nfs/dbraw/zinc/34/61/00/610346100.db2.gz WPWIOYWISRVSPY-UHFFFAOYSA-N 1 2 327.432 0.179 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCc3ccc(=O)[nH]c3)CC2)C1 ZINC000941531924 610363415 /nfs/dbraw/zinc/36/34/15/610363415.db2.gz KJXMEUYRVKCKBO-UHFFFAOYSA-N 1 2 328.416 0.181 20 30 ECEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCCS2(=O)=O)C(C)(C)C1 ZINC000940795247 610377127 /nfs/dbraw/zinc/37/71/27/610377127.db2.gz HKSFAXCUDFXLJR-ZIAGYGMSSA-N 1 2 326.462 0.804 20 30 ECEDLO C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCCS2(=O)=O)C(C)(C)C1 ZINC000940795247 610377129 /nfs/dbraw/zinc/37/71/29/610377129.db2.gz HKSFAXCUDFXLJR-ZIAGYGMSSA-N 1 2 326.462 0.804 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC#CC)C2)CC1 ZINC000941602903 610403105 /nfs/dbraw/zinc/40/31/05/610403105.db2.gz DBJJVULMDVMQRM-ROUUACIJSA-N 1 2 331.460 0.819 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C[C@@H](C)n3cccn3)CC2)C1 ZINC000941634925 610420392 /nfs/dbraw/zinc/42/03/92/610420392.db2.gz NHLDBIRECBDOJV-MRXNPFEDSA-N 1 2 329.448 0.686 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)Cc3cnn(C)c3)CC2)C1 ZINC000941622322 610426708 /nfs/dbraw/zinc/42/67/08/610426708.db2.gz GZXKDTARUPGCRM-MRXNPFEDSA-N 1 2 343.475 0.450 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cn3nc(C)c(Cl)c3C)CC2)C1 ZINC000941670360 610444268 /nfs/dbraw/zinc/44/42/68/610444268.db2.gz OXTMTULUWBUUHT-UHFFFAOYSA-N 1 2 349.866 0.615 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(N(C)C)c(F)c3)CC2)C1 ZINC000941678904 610452145 /nfs/dbraw/zinc/45/21/45/610452145.db2.gz NXJTUKSPYIFATF-UHFFFAOYSA-N 1 2 344.434 0.967 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C(C)C)N3CCCC3=O)CC2)C1 ZINC000941685195 610463105 /nfs/dbraw/zinc/46/31/05/610463105.db2.gz XFRVQEHNLDTSFR-GOSISDBHSA-N 1 2 346.475 0.095 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000942514735 610494526 /nfs/dbraw/zinc/49/45/26/610494526.db2.gz CQMSRGFBPPQYIV-YUELXQCFSA-N 1 2 332.404 0.651 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)nc1 ZINC000941882343 610541107 /nfs/dbraw/zinc/54/11/07/610541107.db2.gz ZIKKYBQUPYPSPU-CQSZACIVSA-N 1 2 337.383 0.668 20 30 ECEDLO Cc1cccnc1C[NH+]1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC000941348220 610684733 /nfs/dbraw/zinc/68/47/33/610684733.db2.gz JWUJNRPUAXFYST-HNNXBMFYSA-N 1 2 327.432 0.878 20 30 ECEDLO Cc1ncsc1C[NH+]1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC000941349147 610685446 /nfs/dbraw/zinc/68/54/46/610685446.db2.gz VBSYCJNHZSWQFX-GFCCVEGCSA-N 1 2 333.461 0.940 20 30 ECEDLO Cc1ncccc1C[NH+]1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC000941349589 610685889 /nfs/dbraw/zinc/68/58/89/610685889.db2.gz ZBRGBNBBQKKOGI-CQSZACIVSA-N 1 2 327.432 0.878 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCc4cn[nH]c43)CC2)C1 ZINC000941410425 610720123 /nfs/dbraw/zinc/72/01/23/610720123.db2.gz HGRGRLRMFBGLAQ-INIZCTEOSA-N 1 2 327.432 0.291 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2[C@@H](CCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000945941024 611162351 /nfs/dbraw/zinc/16/23/51/611162351.db2.gz BGQXIDURTMXAPN-HOCLYGCPSA-N 1 2 326.400 0.815 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)NC)cs2)C1 ZINC000923570735 611264531 /nfs/dbraw/zinc/26/45/31/611264531.db2.gz WHIZFGSFWDBCLK-LLVKDONJSA-N 1 2 341.458 0.484 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)NC)cs2)C1 ZINC000923570735 611264532 /nfs/dbraw/zinc/26/45/32/611264532.db2.gz WHIZFGSFWDBCLK-LLVKDONJSA-N 1 2 341.458 0.484 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000946494883 611284319 /nfs/dbraw/zinc/28/43/19/611284319.db2.gz RROASZHJJZLLHC-UHFFFAOYSA-N 1 2 340.387 0.881 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cnn(C)n3)[C@H](C)C2)nc1 ZINC000947946498 611751637 /nfs/dbraw/zinc/75/16/37/611751637.db2.gz AWMLBISYVXWXMG-HIFRSBDPSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(C)n3)[C@H](C)C2)nc1 ZINC000947946498 611751639 /nfs/dbraw/zinc/75/16/39/611751639.db2.gz AWMLBISYVXWXMG-HIFRSBDPSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCS(C)(=O)=O)[C@@H](C)C2)cn1 ZINC000947949042 611752896 /nfs/dbraw/zinc/75/28/96/611752896.db2.gz RGXWFCKGHHYNLC-XJKSGUPXSA-N 1 2 349.456 0.690 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCS(C)(=O)=O)[C@@H](C)C2)cn1 ZINC000947949042 611752898 /nfs/dbraw/zinc/75/28/98/611752898.db2.gz RGXWFCKGHHYNLC-XJKSGUPXSA-N 1 2 349.456 0.690 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCS(C)(=O)=O)[C@H](C)C2)cn1 ZINC000947949041 611752937 /nfs/dbraw/zinc/75/29/37/611752937.db2.gz RGXWFCKGHHYNLC-CZUORRHYSA-N 1 2 349.456 0.690 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCS(C)(=O)=O)[C@H](C)C2)cn1 ZINC000947949041 611752939 /nfs/dbraw/zinc/75/29/39/611752939.db2.gz RGXWFCKGHHYNLC-CZUORRHYSA-N 1 2 349.456 0.690 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nn3)[C@H](C)C2)nc1 ZINC000947949312 611752945 /nfs/dbraw/zinc/75/29/45/611752945.db2.gz TZUVKEBGIJMQNZ-HIFRSBDPSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cn(C)nn3)[C@H](C)C2)nc1 ZINC000947949312 611752948 /nfs/dbraw/zinc/75/29/48/611752948.db2.gz TZUVKEBGIJMQNZ-HIFRSBDPSA-N 1 2 338.415 0.974 20 30 ECEDLO CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(Cc2cccc(C#N)c2)C1 ZINC000949830804 611772089 /nfs/dbraw/zinc/77/20/89/611772089.db2.gz ZDUTUWMYWYXUOT-GOSISDBHSA-N 1 2 342.443 0.922 20 30 ECEDLO CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(Cc2cccc(C#N)c2)C1 ZINC000949830804 611772090 /nfs/dbraw/zinc/77/20/90/611772090.db2.gz ZDUTUWMYWYXUOT-GOSISDBHSA-N 1 2 342.443 0.922 20 30 ECEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC000948970386 611777953 /nfs/dbraw/zinc/77/79/53/611777953.db2.gz XZGSPIPRXGFWKM-INIZCTEOSA-N 1 2 339.395 0.388 20 30 ECEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC000948970386 611777954 /nfs/dbraw/zinc/77/79/54/611777954.db2.gz XZGSPIPRXGFWKM-INIZCTEOSA-N 1 2 339.395 0.388 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1(C#N)CCSCC1 ZINC000934322277 611789658 /nfs/dbraw/zinc/78/96/58/611789658.db2.gz ZEBFLEYRUGEHGD-CYBMUJFWSA-N 1 2 327.450 0.175 20 30 ECEDLO Cn1cc(C2=NC[C@H](CN(CCC#N)CC[NH+]3CCOCC3)O2)cn1 ZINC000929774269 611792233 /nfs/dbraw/zinc/79/22/33/611792233.db2.gz MGPVTVGEKNZFHQ-MRXNPFEDSA-N 1 2 346.435 0.113 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC000950768803 611899244 /nfs/dbraw/zinc/89/92/44/611899244.db2.gz YGPLQIRUKYJGAS-JHJVBQTASA-N 1 2 338.371 0.744 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC000950768803 611899247 /nfs/dbraw/zinc/89/92/47/611899247.db2.gz YGPLQIRUKYJGAS-JHJVBQTASA-N 1 2 338.371 0.744 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CCN2C(=O)CCn2cc[nH+]c2)c1 ZINC000949297898 611931235 /nfs/dbraw/zinc/93/12/35/611931235.db2.gz DWHFIWHSLYKDFQ-CYBMUJFWSA-N 1 2 326.360 0.504 20 30 ECEDLO C=CC[N@@H+]1CCOC2(CCN(C(=O)c3cc(=O)c(OC)c[nH]3)CC2)C1 ZINC000949414524 611971087 /nfs/dbraw/zinc/97/10/87/611971087.db2.gz BRVSAHOMXUWWKB-UHFFFAOYSA-N 1 2 347.415 0.877 20 30 ECEDLO C=CC[N@H+]1CCOC2(CCN(C(=O)c3cc(=O)c(OC)c[nH]3)CC2)C1 ZINC000949414524 611971088 /nfs/dbraw/zinc/97/10/88/611971088.db2.gz BRVSAHOMXUWWKB-UHFFFAOYSA-N 1 2 347.415 0.877 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCCc4nn[nH]c43)CC2)C1 ZINC000949451253 611985860 /nfs/dbraw/zinc/98/58/60/611985860.db2.gz VTQMUYPQIIZENK-AWEZNQCLSA-N 1 2 343.431 0.551 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCCc4nn[nH]c43)CC2)C1 ZINC000949451253 611985862 /nfs/dbraw/zinc/98/58/62/611985862.db2.gz VTQMUYPQIIZENK-AWEZNQCLSA-N 1 2 343.431 0.551 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCCC(=O)N3)CC2)C1 ZINC000949468260 611990341 /nfs/dbraw/zinc/99/03/41/611990341.db2.gz BLZHLSHERSFVMW-HNNXBMFYSA-N 1 2 333.432 0.372 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCCC(=O)N3)CC2)C1 ZINC000949468260 611990343 /nfs/dbraw/zinc/99/03/43/611990343.db2.gz BLZHLSHERSFVMW-HNNXBMFYSA-N 1 2 333.432 0.372 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[NH+](C[C@H]3CCc4ncnn43)CC2)c1 ZINC000950406727 612003462 /nfs/dbraw/zinc/00/34/62/612003462.db2.gz FMNDZJHAVSLACO-MRXNPFEDSA-N 1 2 336.399 0.600 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)[nH]1 ZINC000950463544 612030234 /nfs/dbraw/zinc/03/02/34/612030234.db2.gz INKGVSZUGHRYGY-CYBMUJFWSA-N 1 2 326.360 0.504 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN([C@@H](C)c2n[nH]c(C)n2)C1 ZINC000950533155 612057887 /nfs/dbraw/zinc/05/78/87/612057887.db2.gz BFMCOAXGASIAHC-BBRMVZONSA-N 1 2 344.463 0.804 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN([C@@H](C)c2n[nH]c(C)n2)C1 ZINC000950533155 612057890 /nfs/dbraw/zinc/05/78/90/612057890.db2.gz BFMCOAXGASIAHC-BBRMVZONSA-N 1 2 344.463 0.804 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000953169165 612190267 /nfs/dbraw/zinc/19/02/67/612190267.db2.gz WLKFDRTYVVDFLS-GOSISDBHSA-N 1 2 326.400 0.817 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC000952151055 612249832 /nfs/dbraw/zinc/24/98/32/612249832.db2.gz AYYYSWCUSWFDAS-LBPRGKRZSA-N 1 2 343.391 0.151 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)C2CN(C(=O)Cc3[nH]c[nH+]c3C)C2)c1 ZINC000955263912 612393513 /nfs/dbraw/zinc/39/35/13/612393513.db2.gz NXARZMIWCWOIOS-UHFFFAOYSA-N 1 2 337.383 0.620 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000955633182 612720668 /nfs/dbraw/zinc/72/06/68/612720668.db2.gz SKSKJJRATBFJBG-AAEUAGOBSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000955633184 612720923 /nfs/dbraw/zinc/72/09/23/612720923.db2.gz SKSKJJRATBFJBG-WCQYABFASA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000955722949 612791980 /nfs/dbraw/zinc/79/19/80/612791980.db2.gz ADTAVMXLJFVUQM-GXTWGEPZSA-N 1 2 340.387 0.892 20 30 ECEDLO CC1(NC(=O)c2c[nH]c(C#N)c2)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000956346409 612845027 /nfs/dbraw/zinc/84/50/27/612845027.db2.gz NEXUSLIFFXPTQH-UHFFFAOYSA-N 1 2 340.387 0.963 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000954380471 612884728 /nfs/dbraw/zinc/88/47/28/612884728.db2.gz CMGJIQGTOOSOBM-RDJZCZTQSA-N 1 2 346.431 0.993 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000954392213 612888708 /nfs/dbraw/zinc/88/87/08/612888708.db2.gz KLYYPBNUELYRFC-RDJZCZTQSA-N 1 2 346.431 0.613 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000954394979 612889483 /nfs/dbraw/zinc/88/94/83/612889483.db2.gz WFCJYGWFLWZWPU-RDJZCZTQSA-N 1 2 346.431 0.993 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000954394979 612889485 /nfs/dbraw/zinc/88/94/85/612889485.db2.gz WFCJYGWFLWZWPU-RDJZCZTQSA-N 1 2 346.431 0.993 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC000091618564 612908402 /nfs/dbraw/zinc/90/84/02/612908402.db2.gz ZCRHLLBXUBUFGJ-HNNXBMFYSA-N 1 2 336.436 0.128 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC3(C2)OCCO3)CC1 ZINC000091618564 612908403 /nfs/dbraw/zinc/90/84/03/612908403.db2.gz ZCRHLLBXUBUFGJ-HNNXBMFYSA-N 1 2 336.436 0.128 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)C3=COCCC3)CC2)C1 ZINC000956587903 612919516 /nfs/dbraw/zinc/91/95/16/612919516.db2.gz KHJUQJBDFXCYDR-ZBFHGGJFSA-N 1 2 346.431 0.585 20 30 ECEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cncc(C#N)n1 ZINC001164697982 719844933 /nfs/dbraw/zinc/84/49/33/719844933.db2.gz DDOZQZKIGQHVQS-PBHICJAKSA-N 1 2 345.403 0.581 20 30 ECEDLO COc1cncc(C[NH+]2CC([C@@H](C)NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000969525711 731948538 /nfs/dbraw/zinc/94/85/38/731948538.db2.gz CZVOHVXJWSHIMR-LLVKDONJSA-N 1 2 340.387 0.935 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]cc[nH+]1 ZINC000969745800 732311789 /nfs/dbraw/zinc/31/17/89/732311789.db2.gz WJJKPQYVVHZCGU-BARDWOONSA-N 1 2 344.415 0.745 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCC)C2)nn1 ZINC001098598649 738668730 /nfs/dbraw/zinc/66/87/30/738668730.db2.gz IIRRIOQKPXKSAL-DZGCQCFKSA-N 1 2 346.435 0.079 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(Cc3c[nH+]cn3C)C[C@@H]21 ZINC001083198674 733102781 /nfs/dbraw/zinc/10/27/81/733102781.db2.gz KMFYPZGUWAQSQU-LTIDMASMSA-N 1 2 346.431 0.423 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC000970210687 733214938 /nfs/dbraw/zinc/21/49/38/733214938.db2.gz QMHCMFSETCCKSX-NSHDSACASA-N 1 2 347.810 0.860 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3nn(C)c4c3CCCC4)[C@H]2C1 ZINC001083201173 733320724 /nfs/dbraw/zinc/32/07/24/733320724.db2.gz VYUBAQNUFYYRGS-DLBZAZTESA-N 1 2 342.443 0.847 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3nn(C)c4c3CCCC4)[C@H]2C1 ZINC001083201173 733320729 /nfs/dbraw/zinc/32/07/29/733320729.db2.gz VYUBAQNUFYYRGS-DLBZAZTESA-N 1 2 342.443 0.847 20 30 ECEDLO C[C@H](NC(=O)[C@@H]1CNC(=O)N1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970355746 733406068 /nfs/dbraw/zinc/40/60/68/733406068.db2.gz AGAJFRPFOKIVTI-BONVTDFDSA-N 1 2 345.378 0.315 20 30 ECEDLO Cc1nc(N2CCO[C@@H](CNC(=O)CSCC#N)C2)c(C)c(C)[nH+]1 ZINC001104292474 734008922 /nfs/dbraw/zinc/00/89/22/734008922.db2.gz AUAZBJKKVCMHGY-AWEZNQCLSA-N 1 2 349.460 0.980 20 30 ECEDLO CC(C)N(CCN(C)c1ccncc1C#N)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125439278 734074574 /nfs/dbraw/zinc/07/45/74/734074574.db2.gz NQIYKQNKAKUCOS-KRWDZBQOSA-N 1 2 345.447 0.957 20 30 ECEDLO CC(C)N(CCN(C)c1ccncc1C#N)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125439278 734074576 /nfs/dbraw/zinc/07/45/76/734074576.db2.gz NQIYKQNKAKUCOS-KRWDZBQOSA-N 1 2 345.447 0.957 20 30 ECEDLO C#CCCCC(=O)NC[C@H]1CN(c2[nH+]cnc3c2cnn3C)CCO1 ZINC001104316440 734258438 /nfs/dbraw/zinc/25/84/38/734258438.db2.gz ADICTBJPSRVECU-ZDUSSCGKSA-N 1 2 342.403 0.488 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NC[C@@H]1CN(c2ccc(C#N)nc2)CCO1 ZINC001104321551 734297233 /nfs/dbraw/zinc/29/72/33/734297233.db2.gz HOAMJJZUESXQRJ-MRXNPFEDSA-N 1 2 340.387 0.251 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC000971632601 734840598 /nfs/dbraw/zinc/84/05/98/734840598.db2.gz FHIZUZDHMJITFY-VXGBXAGGSA-N 1 2 344.253 0.906 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC000971632601 734840601 /nfs/dbraw/zinc/84/06/01/734840601.db2.gz FHIZUZDHMJITFY-VXGBXAGGSA-N 1 2 344.253 0.906 20 30 ECEDLO N#CCN1C[C@H]2OCCN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)[C@H]2C1 ZINC001083245674 735826444 /nfs/dbraw/zinc/82/64/44/735826444.db2.gz CNJXBCFXWRQEAR-JKSUJKDBSA-N 1 2 338.371 0.316 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)N3CCCCC3=O)C2)C1 ZINC000972377676 736044423 /nfs/dbraw/zinc/04/44/23/736044423.db2.gz LFDAOULALAHIDF-VQIMIIECSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)N3CCCCC3=O)C2)C1 ZINC000972377676 736044429 /nfs/dbraw/zinc/04/44/29/736044429.db2.gz LFDAOULALAHIDF-VQIMIIECSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCc4n[nH]cc43)C2)C1 ZINC000972386628 736056631 /nfs/dbraw/zinc/05/66/31/736056631.db2.gz FGWZFRLHDGJRAD-KDOFPFPSSA-N 1 2 328.416 0.766 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCc4n[nH]cc43)C2)C1 ZINC000972386628 736056632 /nfs/dbraw/zinc/05/66/32/736056632.db2.gz FGWZFRLHDGJRAD-KDOFPFPSSA-N 1 2 328.416 0.766 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC000972440415 736195807 /nfs/dbraw/zinc/19/58/07/736195807.db2.gz FODKVMJBPMCJCS-DYVFJYSZSA-N 1 2 347.419 0.035 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC000972440415 736195809 /nfs/dbraw/zinc/19/58/09/736195809.db2.gz FODKVMJBPMCJCS-DYVFJYSZSA-N 1 2 347.419 0.035 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCn4nccc43)C2)C1 ZINC000972441899 736204853 /nfs/dbraw/zinc/20/48/53/736204853.db2.gz WEQOTWNLJDKFOL-CRAIPNDOSA-N 1 2 328.416 0.697 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCn4nccc43)C2)C1 ZINC000972441899 736204856 /nfs/dbraw/zinc/20/48/56/736204856.db2.gz WEQOTWNLJDKFOL-CRAIPNDOSA-N 1 2 328.416 0.697 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)C2)C1 ZINC000972455622 736242284 /nfs/dbraw/zinc/24/22/84/736242284.db2.gz FXBJTHOMHHLEOH-AEFFLSMTSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)C2)C1 ZINC000972455622 736242288 /nfs/dbraw/zinc/24/22/88/736242288.db2.gz FXBJTHOMHHLEOH-AEFFLSMTSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)C2)C1 ZINC000972462321 736259988 /nfs/dbraw/zinc/25/99/88/736259988.db2.gz DFLILVLWVWFZKL-YQVWRLOYSA-N 1 2 332.444 0.986 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)C2)C1 ZINC000972462321 736259989 /nfs/dbraw/zinc/25/99/89/736259989.db2.gz DFLILVLWVWFZKL-YQVWRLOYSA-N 1 2 332.444 0.986 20 30 ECEDLO C=CCCC(=O)NCC1(O)CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001041972776 782520972 /nfs/dbraw/zinc/52/09/72/782520972.db2.gz ITBZNEPFZSVXSQ-INIZCTEOSA-N 1 2 346.431 0.340 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)C2)C1 ZINC000972477798 736300758 /nfs/dbraw/zinc/30/07/58/736300758.db2.gz AEUKCFXVFHHPTM-RKVPGOIHSA-N 1 2 328.416 0.460 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)C2)C1 ZINC000972477798 736300762 /nfs/dbraw/zinc/30/07/62/736300762.db2.gz AEUKCFXVFHHPTM-RKVPGOIHSA-N 1 2 328.416 0.460 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccn(C)n3)C2)nn1 ZINC000972516174 736524339 /nfs/dbraw/zinc/52/43/39/736524339.db2.gz IQEJEJFWGAIGTA-OAHLLOKOSA-N 1 2 343.435 0.934 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccn(C)n3)C2)nn1 ZINC000972516174 736524341 /nfs/dbraw/zinc/52/43/41/736524341.db2.gz IQEJEJFWGAIGTA-OAHLLOKOSA-N 1 2 343.435 0.934 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3c(C)cc(C)[nH]c3=O)C2)C1 ZINC000972517271 736529231 /nfs/dbraw/zinc/52/92/31/736529231.db2.gz DBZPJXSCOQEGMJ-LJQANCHMSA-N 1 2 343.427 0.883 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3c(C)cc(C)[nH]c3=O)C2)C1 ZINC000972517271 736529234 /nfs/dbraw/zinc/52/92/34/736529234.db2.gz DBZPJXSCOQEGMJ-LJQANCHMSA-N 1 2 343.427 0.883 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nnn(C)c4C3)C2)C1 ZINC000972517808 736537066 /nfs/dbraw/zinc/53/70/66/736537066.db2.gz HPVKSDOCZLRHTC-KSSFIOAISA-N 1 2 345.447 0.409 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nnn(C)c4C3)C2)C1 ZINC000972517808 736537068 /nfs/dbraw/zinc/53/70/68/736537068.db2.gz HPVKSDOCZLRHTC-KSSFIOAISA-N 1 2 345.447 0.409 20 30 ECEDLO Cn1nnnc1C[N@@H+]1CCC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023295853 736655748 /nfs/dbraw/zinc/65/57/48/736655748.db2.gz JTGTUPMZJCGSEM-LLVKDONJSA-N 1 2 328.380 0.052 20 30 ECEDLO Cn1nnnc1C[N@H+]1CCC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023295853 736655749 /nfs/dbraw/zinc/65/57/49/736655749.db2.gz JTGTUPMZJCGSEM-LLVKDONJSA-N 1 2 328.380 0.052 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3ccc(C)cc3=O)C2)C1 ZINC000972584043 736955476 /nfs/dbraw/zinc/95/54/76/736955476.db2.gz YZDIEXYIRSCWIM-IBGZPJMESA-N 1 2 343.427 0.483 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3ccc(C)cc3=O)C2)C1 ZINC000972584043 736955479 /nfs/dbraw/zinc/95/54/79/736955479.db2.gz YZDIEXYIRSCWIM-IBGZPJMESA-N 1 2 343.427 0.483 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC[C@H](C)C3)C2)C1 ZINC000972585397 736970225 /nfs/dbraw/zinc/97/02/25/736970225.db2.gz LZCMOMLKYWRSLL-YJBOKZPZSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC[C@H](C)C3)C2)C1 ZINC000972585397 736970231 /nfs/dbraw/zinc/97/02/31/736970231.db2.gz LZCMOMLKYWRSLL-YJBOKZPZSA-N 1 2 333.432 0.181 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@]3(C2)C[N@H+](CC#CC)CCO3)nn1 ZINC000972586033 736975383 /nfs/dbraw/zinc/97/53/83/736975383.db2.gz UHMQGNCUYDOBOE-QGZVFWFLSA-N 1 2 329.404 0.404 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@]3(C2)C[N@@H+](CC#CC)CCO3)nn1 ZINC000972586033 736975386 /nfs/dbraw/zinc/97/53/86/736975386.db2.gz UHMQGNCUYDOBOE-QGZVFWFLSA-N 1 2 329.404 0.404 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3c(C)cc(C)nc3=O)C2)C1 ZINC000972616329 737102965 /nfs/dbraw/zinc/10/29/65/737102965.db2.gz XLSNJIPLZCFMJZ-GOSISDBHSA-N 1 2 346.431 0.349 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3c(C)cc(C)nc3=O)C2)C1 ZINC000972616329 737102968 /nfs/dbraw/zinc/10/29/68/737102968.db2.gz XLSNJIPLZCFMJZ-GOSISDBHSA-N 1 2 346.431 0.349 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3ncccn3)C2)nn1 ZINC001023638127 737124963 /nfs/dbraw/zinc/12/49/63/737124963.db2.gz XUCKAKHAROGHCE-CQSZACIVSA-N 1 2 341.419 0.896 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ncccn3)C2)nn1 ZINC001023638127 737124965 /nfs/dbraw/zinc/12/49/65/737124965.db2.gz XUCKAKHAROGHCE-CQSZACIVSA-N 1 2 341.419 0.896 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c(C)cc3=O)C2)C1 ZINC000972624653 737136960 /nfs/dbraw/zinc/13/69/60/737136960.db2.gz SBBXCXHAQKSPST-GOSISDBHSA-N 1 2 329.400 0.624 20 30 ECEDLO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c(C)cc3=O)C2)C1 ZINC000972624653 737136963 /nfs/dbraw/zinc/13/69/63/737136963.db2.gz SBBXCXHAQKSPST-GOSISDBHSA-N 1 2 329.400 0.624 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccnc4nc(C)nn43)C2)C1 ZINC000972633250 737172737 /nfs/dbraw/zinc/17/27/37/737172737.db2.gz AKGMPCKKAUMLCF-QGZVFWFLSA-N 1 2 342.403 0.536 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccnc4nc(C)nn43)C2)C1 ZINC000972633250 737172738 /nfs/dbraw/zinc/17/27/38/737172738.db2.gz AKGMPCKKAUMLCF-QGZVFWFLSA-N 1 2 342.403 0.536 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)C2)C1 ZINC000972633628 737179229 /nfs/dbraw/zinc/17/92/29/737179229.db2.gz GEQOAVWXGXNVNX-RDTXWAMCSA-N 1 2 328.416 0.451 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)C2)C1 ZINC000972633628 737179231 /nfs/dbraw/zinc/17/92/31/737179231.db2.gz GEQOAVWXGXNVNX-RDTXWAMCSA-N 1 2 328.416 0.451 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H](C)N3CCCC3=O)C2)C1 ZINC000972634938 737183486 /nfs/dbraw/zinc/18/34/86/737183486.db2.gz NWHUWGHBTZMPLZ-MAUKXSAKSA-N 1 2 335.448 0.877 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H](C)N3CCCC3=O)C2)C1 ZINC000972634938 737183488 /nfs/dbraw/zinc/18/34/88/737183488.db2.gz NWHUWGHBTZMPLZ-MAUKXSAKSA-N 1 2 335.448 0.877 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3c(C)nn(CC)c3C)C2)C1 ZINC000972638578 737198260 /nfs/dbraw/zinc/19/82/60/737198260.db2.gz LXWYUBYSQJCPRN-LJQANCHMSA-N 1 2 344.459 0.999 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3c(C)nn(CC)c3C)C2)C1 ZINC000972638578 737198261 /nfs/dbraw/zinc/19/82/61/737198261.db2.gz LXWYUBYSQJCPRN-LJQANCHMSA-N 1 2 344.459 0.999 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](CC)N3CCCC3=O)C2)C1 ZINC000972673911 737341436 /nfs/dbraw/zinc/34/14/36/737341436.db2.gz LVBWDSSRLNFIIO-MAUKXSAKSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](CC)N3CCCC3=O)C2)C1 ZINC000972673911 737341439 /nfs/dbraw/zinc/34/14/39/737341439.db2.gz LVBWDSSRLNFIIO-MAUKXSAKSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CN3CCc4ccccc43)C2)C1 ZINC000972676482 737354264 /nfs/dbraw/zinc/35/42/64/737354264.db2.gz HOBQIAOPXVLQTF-FQEVSTJZSA-N 1 2 339.439 0.986 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CN3CCc4ccccc43)C2)C1 ZINC000972676482 737354265 /nfs/dbraw/zinc/35/42/65/737354265.db2.gz HOBQIAOPXVLQTF-FQEVSTJZSA-N 1 2 339.439 0.986 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 ZINC000972683832 737374053 /nfs/dbraw/zinc/37/40/53/737374053.db2.gz PLBNROGRKFZFJA-GOEBONIOSA-N 1 2 342.461 0.443 20 30 ECEDLO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 ZINC000972683832 737374056 /nfs/dbraw/zinc/37/40/56/737374056.db2.gz PLBNROGRKFZFJA-GOEBONIOSA-N 1 2 342.461 0.443 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nncn4C3)C2)C1 ZINC000972687542 737377748 /nfs/dbraw/zinc/37/77/48/737377748.db2.gz HPZMHAZREONURC-WMLDXEAASA-N 1 2 331.420 0.330 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nncn4C3)C2)C1 ZINC000972687542 737377751 /nfs/dbraw/zinc/37/77/51/737377751.db2.gz HPZMHAZREONURC-WMLDXEAASA-N 1 2 331.420 0.330 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)C2)C1 ZINC000972687726 737377846 /nfs/dbraw/zinc/37/78/46/737377846.db2.gz IIZJPPBZHWDRGL-QAPCUYQASA-N 1 2 333.432 0.181 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)C2)C1 ZINC000972687726 737377852 /nfs/dbraw/zinc/37/78/52/737377852.db2.gz IIZJPPBZHWDRGL-QAPCUYQASA-N 1 2 333.432 0.181 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nncn4C3)C2)C1 ZINC000972686673 737378612 /nfs/dbraw/zinc/37/86/12/737378612.db2.gz BLHOUIBEIKUGAF-CRAIPNDOSA-N 1 2 343.431 0.167 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nncn4C3)C2)C1 ZINC000972686673 737378616 /nfs/dbraw/zinc/37/86/16/737378616.db2.gz BLHOUIBEIKUGAF-CRAIPNDOSA-N 1 2 343.431 0.167 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3COc4ccccc4O3)[C@H]2C1 ZINC001083264039 737388383 /nfs/dbraw/zinc/38/83/83/737388383.db2.gz DDTWGYPFDPYDCX-XKQJLSEDSA-N 1 2 328.368 0.371 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3COc4ccccc4O3)[C@H]2C1 ZINC001083264039 737388387 /nfs/dbraw/zinc/38/83/87/737388387.db2.gz DDTWGYPFDPYDCX-XKQJLSEDSA-N 1 2 328.368 0.371 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001024346773 737912358 /nfs/dbraw/zinc/91/23/58/737912358.db2.gz FOYHWHQQQGGFGY-BFHYXJOUSA-N 1 2 346.431 0.346 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001024623417 738179824 /nfs/dbraw/zinc/17/98/24/738179824.db2.gz MJAUQTVZBKFYOL-TZMCWYRMSA-N 1 2 342.399 0.848 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=O)NC2CC2)nn1 ZINC001024698479 738228973 /nfs/dbraw/zinc/22/89/73/738228973.db2.gz JCLZRSVVUCBPHZ-AWEZNQCLSA-N 1 2 346.435 0.327 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(=O)NC2CC2)nn1 ZINC001024698479 738228976 /nfs/dbraw/zinc/22/89/76/738228976.db2.gz JCLZRSVVUCBPHZ-AWEZNQCLSA-N 1 2 346.435 0.327 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001024705748 738232897 /nfs/dbraw/zinc/23/28/97/738232897.db2.gz KRSCIOKSCDIJNQ-LBPRGKRZSA-N 1 2 327.812 0.762 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001024705748 738232899 /nfs/dbraw/zinc/23/28/99/738232899.db2.gz KRSCIOKSCDIJNQ-LBPRGKRZSA-N 1 2 327.812 0.762 20 30 ECEDLO C#CCOc1ncccc1C(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NC ZINC001024766855 738279111 /nfs/dbraw/zinc/27/91/11/738279111.db2.gz WELAQEAABIXMTQ-CQSZACIVSA-N 1 2 344.415 0.424 20 30 ECEDLO C#CCOc1ncccc1C(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NC ZINC001024766855 738279117 /nfs/dbraw/zinc/27/91/17/738279117.db2.gz WELAQEAABIXMTQ-CQSZACIVSA-N 1 2 344.415 0.424 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001024805900 738311529 /nfs/dbraw/zinc/31/15/29/738311529.db2.gz FKDYSJMBHIVHKA-NWDGAFQWSA-N 1 2 335.857 0.401 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001024805900 738311534 /nfs/dbraw/zinc/31/15/34/738311534.db2.gz FKDYSJMBHIVHKA-NWDGAFQWSA-N 1 2 335.857 0.401 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C(F)F)C2)nn1 ZINC001098592257 738379914 /nfs/dbraw/zinc/37/99/14/738379914.db2.gz SWTZRFKFRPZWJM-LBPRGKRZSA-N 1 2 327.335 0.056 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000973324599 739091202 /nfs/dbraw/zinc/09/12/02/739091202.db2.gz KHHKFXQRVDJFQD-YXWQFLTLSA-N 1 2 332.404 0.628 20 30 ECEDLO C[C@@H](CNc1nccnc1C#N)N(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001104613755 739211314 /nfs/dbraw/zinc/21/13/14/739211314.db2.gz OKHADGKGORAYHY-ZDUSSCGKSA-N 1 2 346.435 0.718 20 30 ECEDLO N#Cc1cncc(N2CCC3(C[C@H]3NC(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001058637827 739632301 /nfs/dbraw/zinc/63/23/01/739632301.db2.gz FDXVFVGCDHOPRO-CQSZACIVSA-N 1 2 337.387 0.720 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1C(=O)OC ZINC001025705743 739884874 /nfs/dbraw/zinc/88/48/74/739884874.db2.gz XTMWMVXDWUERPK-KKJSVHSVSA-N 1 2 343.221 0.751 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1C(=O)OC ZINC001025705743 739884876 /nfs/dbraw/zinc/88/48/76/739884876.db2.gz XTMWMVXDWUERPK-KKJSVHSVSA-N 1 2 343.221 0.751 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc4nccn4c3)C2)nn1 ZINC001105359672 751507412 /nfs/dbraw/zinc/50/74/12/751507412.db2.gz RCGVMXZFXGHOGW-UHFFFAOYSA-N 1 2 335.371 0.346 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(c3cc(C)no3)CC2)[C@@H](n2ccnn2)C1 ZINC001070006078 790306201 /nfs/dbraw/zinc/30/62/01/790306201.db2.gz CEZKUWRLZCLBJC-KGLIPLIRSA-N 1 2 340.387 0.281 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(c3cc(C)no3)CC2)[C@@H](n2ccnn2)C1 ZINC001070006078 790306205 /nfs/dbraw/zinc/30/62/05/790306205.db2.gz CEZKUWRLZCLBJC-KGLIPLIRSA-N 1 2 340.387 0.281 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(OC)cc2C)[C@@H](n2ccnn2)C1 ZINC001070011457 790318900 /nfs/dbraw/zinc/31/89/00/790318900.db2.gz FCJVAEVCLRSQTH-SJORKVTESA-N 1 2 339.399 0.884 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)cc2C)[C@@H](n2ccnn2)C1 ZINC001070011457 790318909 /nfs/dbraw/zinc/31/89/09/790318909.db2.gz FCJVAEVCLRSQTH-SJORKVTESA-N 1 2 339.399 0.884 20 30 ECEDLO CN(C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(=O)c1c[nH]c(C#N)c1 ZINC000988094200 751525532 /nfs/dbraw/zinc/52/55/32/751525532.db2.gz KKMVKKGUPVXPRI-ZDUSSCGKSA-N 1 2 340.387 0.704 20 30 ECEDLO CN(CCCN(C)c1[nH+]cnc2c1cnn2C)C(=O)CSCC#N ZINC001112044112 740382169 /nfs/dbraw/zinc/38/21/69/740382169.db2.gz DTDFHQOSRQGOSK-UHFFFAOYSA-N 1 2 347.448 0.905 20 30 ECEDLO C[C@@H](C#N)C(=O)N(C)CCCN(C)c1ncnc2c1C[N@H+](C)CC2 ZINC001112061968 740892136 /nfs/dbraw/zinc/89/21/36/740892136.db2.gz VQOTXNYWDFDJRA-ZDUSSCGKSA-N 1 2 330.436 0.909 20 30 ECEDLO C[C@@H](C#N)C(=O)N(C)CCCN(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC001112061968 740892141 /nfs/dbraw/zinc/89/21/41/740892141.db2.gz VQOTXNYWDFDJRA-ZDUSSCGKSA-N 1 2 330.436 0.909 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ncoc3C)C2)nn1 ZINC001105178846 741443830 /nfs/dbraw/zinc/44/38/30/741443830.db2.gz UXYKLBZWXKULPD-UHFFFAOYSA-N 1 2 344.375 0.011 20 30 ECEDLO C#CCCCCC(=O)N1CC(n2cc(C[NH2+]CC(=O)NCC)nn2)C1 ZINC001105219543 741484472 /nfs/dbraw/zinc/48/44/72/741484472.db2.gz DZBSMPSQNNQZEM-UHFFFAOYSA-N 1 2 346.435 0.081 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)CC[C@H](C)OC)C2)nn1 ZINC001105215752 741487486 /nfs/dbraw/zinc/48/74/86/741487486.db2.gz IBCCRMAPQHMTNA-AWEZNQCLSA-N 1 2 349.435 0.216 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC3(F)F)C2)nn1 ZINC001105230823 741515596 /nfs/dbraw/zinc/51/55/96/741515596.db2.gz ZJLKGBLTQGFLTC-CYBMUJFWSA-N 1 2 339.346 0.056 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(C4CCC4)c3)C2)nn1 ZINC001105240590 741534047 /nfs/dbraw/zinc/53/40/47/741534047.db2.gz SSYGETQYCKWTHO-UHFFFAOYSA-N 1 2 339.403 0.620 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCO[C@H]3C(C)C)C2)nn1 ZINC001105242596 741538960 /nfs/dbraw/zinc/53/89/60/741538960.db2.gz BJRPCVQXACARQB-IRXDYDNUSA-N 1 2 345.447 0.835 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC(n2cc(C[NH2+][C@H]3CCNC3=O)nn2)C1 ZINC001105248896 741551655 /nfs/dbraw/zinc/55/16/55/741551655.db2.gz DDNPDYJFXQLRNL-AWEZNQCLSA-N 1 2 346.435 0.242 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccnn3CCC)C2)nn1 ZINC001105249161 741552703 /nfs/dbraw/zinc/55/27/03/741552703.db2.gz MHOSGBLSZQPOBP-UHFFFAOYSA-N 1 2 341.419 0.695 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc4[nH]ccc4c3)C2)nn1 ZINC001105264452 741595494 /nfs/dbraw/zinc/59/54/94/741595494.db2.gz JKELIDKZBJRNKI-UHFFFAOYSA-N 1 2 349.398 0.916 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3Cc4ccccc4O3)C2)nn1 ZINC001105280812 741636699 /nfs/dbraw/zinc/63/66/99/741636699.db2.gz FFLUIMXCKPCIFC-QGZVFWFLSA-N 1 2 337.383 0.388 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@]34CCO[C@H]3CCCC4)C2)nn1 ZINC001105280761 741637003 /nfs/dbraw/zinc/63/70/03/741637003.db2.gz BKYTZRLKXPXGSK-FUHWJXTLSA-N 1 2 343.431 0.734 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(n2cc(C[NH2+][C@H](CC)C(N)=O)nn2)C1 ZINC001105297702 741675513 /nfs/dbraw/zinc/67/55/13/741675513.db2.gz SYOPZROVUWXUHY-CYBMUJFWSA-N 1 2 334.424 0.227 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC(n2cc(C[NH2+][C@H](C)C(=O)NC)nn2)C1 ZINC001105299410 741682144 /nfs/dbraw/zinc/68/21/44/741682144.db2.gz WVMAQEZPTMHAAY-GFCCVEGCSA-N 1 2 348.451 0.488 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)CCCC3CC3)C2)nn1 ZINC001105308139 741709977 /nfs/dbraw/zinc/70/99/77/741709977.db2.gz JOTXONCPOXPJSV-UHFFFAOYSA-N 1 2 345.447 0.981 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3Cc4ccc(F)cc43)C2)nn1 ZINC001105312521 741729767 /nfs/dbraw/zinc/72/97/67/741729767.db2.gz PVRNPGOTOITKKB-QGZVFWFLSA-N 1 2 339.374 0.863 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[C@@H](OC)C3)C2)nn1 ZINC001105314224 741734561 /nfs/dbraw/zinc/73/45/61/741734561.db2.gz OGCCEJDEVHJCCI-CZUORRHYSA-N 1 2 331.420 0.589 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CC(n2cc(C[NH2+][C@H](CC)C(N)=O)nn2)C1 ZINC001105318770 741764664 /nfs/dbraw/zinc/76/46/64/741764664.db2.gz OIOJHWSHWGZYOH-RHSMWYFYSA-N 1 2 348.451 0.617 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C3(CC)CC3)C2)nn1 ZINC001105320642 741774703 /nfs/dbraw/zinc/77/47/03/741774703.db2.gz DRBWZJLEUJSNSR-UHFFFAOYSA-N 1 2 346.435 0.243 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)C3(CF)CC3)C2)nn1 ZINC001105325174 741799528 /nfs/dbraw/zinc/79/95/28/741799528.db2.gz FZRCQURNUOPVSR-UHFFFAOYSA-N 1 2 335.383 0.151 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC34CC(OCC)C4)C2)nn1 ZINC001105326705 741809188 /nfs/dbraw/zinc/80/91/88/741809188.db2.gz CKUVAWUVQXXWKE-PQUAAJSLSA-N 1 2 343.431 0.589 20 30 ECEDLO C=CCC1(C(=O)N(CCO)CCNC(=O)Cn2cc[nH+]c2)CCC1 ZINC001058732628 741821585 /nfs/dbraw/zinc/82/15/85/741821585.db2.gz DGEPAELPPIGQAH-UHFFFAOYSA-N 1 2 334.420 0.567 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2cn(C)nn2)CC1(C)C ZINC000974686400 742002048 /nfs/dbraw/zinc/00/20/48/742002048.db2.gz NLQWBKKOIOBCPK-HOTGVXAUSA-N 1 2 344.463 0.239 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2cn(C)nn2)CC1(C)C ZINC000974686400 742002055 /nfs/dbraw/zinc/00/20/55/742002055.db2.gz NLQWBKKOIOBCPK-HOTGVXAUSA-N 1 2 344.463 0.239 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C(C)(C)C1 ZINC000974781527 742170186 /nfs/dbraw/zinc/17/01/86/742170186.db2.gz HSAWUIKBKLHZKG-NSHDSACASA-N 1 2 340.811 0.528 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C(C)(C)C1 ZINC000974781527 742170190 /nfs/dbraw/zinc/17/01/90/742170190.db2.gz HSAWUIKBKLHZKG-NSHDSACASA-N 1 2 340.811 0.528 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000974924761 742365160 /nfs/dbraw/zinc/36/51/60/742365160.db2.gz YRVWVYRODKKUOV-TUVASFSCSA-N 1 2 344.415 0.603 20 30 ECEDLO C[C@H](CC(=O)N1CC(n2cc(CNCC#N)nn2)C1)n1cc[nH+]c1 ZINC001105337297 742458617 /nfs/dbraw/zinc/45/86/17/742458617.db2.gz YVQGVBQHCAOIDO-GFCCVEGCSA-N 1 2 328.380 0.122 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)c[nH]1 ZINC000975212473 742609771 /nfs/dbraw/zinc/60/97/71/742609771.db2.gz FJXHYPXHTGADCU-GFCCVEGCSA-N 1 2 340.387 0.821 20 30 ECEDLO CN(C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(=O)c1ccc(C#N)[nH]1 ZINC000988266728 751763710 /nfs/dbraw/zinc/76/37/10/751763710.db2.gz HNLAOOCSJICACH-GFCCVEGCSA-N 1 2 340.387 0.773 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cnsn3)C2)C1=O ZINC001006797847 751845622 /nfs/dbraw/zinc/84/56/22/751845622.db2.gz KIUJQEBJGHKWPD-WCQYABFASA-N 1 2 335.433 0.519 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cnsn3)C2)C1=O ZINC001006797847 751845628 /nfs/dbraw/zinc/84/56/28/751845628.db2.gz KIUJQEBJGHKWPD-WCQYABFASA-N 1 2 335.433 0.519 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N[C@H]1C[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001059873166 751872650 /nfs/dbraw/zinc/87/26/50/751872650.db2.gz XRPZLVPVNJZAFI-BETUJISGSA-N 1 2 338.371 0.476 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000998094993 743975412 /nfs/dbraw/zinc/97/54/12/743975412.db2.gz CALLWKYMNDDVMZ-DOMZBBRYSA-N 1 2 334.420 0.116 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000998094993 743975413 /nfs/dbraw/zinc/97/54/13/743975413.db2.gz CALLWKYMNDDVMZ-DOMZBBRYSA-N 1 2 334.420 0.116 20 30 ECEDLO C#CC[NH2+][C@@H]1CN(C(=O)CCc2cnn[nH]2)CC[C@H]1C(F)(F)F ZINC000998299052 744106593 /nfs/dbraw/zinc/10/65/93/744106593.db2.gz CIDAHYNUEUWTKW-VXGBXAGGSA-N 1 2 329.326 0.740 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000976692471 744208001 /nfs/dbraw/zinc/20/80/01/744208001.db2.gz BKGKCYWBEMHKGX-HALDLXJZSA-N 1 2 339.399 0.757 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2[nH]cc[nH+]2)nc1 ZINC000998952814 744425878 /nfs/dbraw/zinc/42/58/78/744425878.db2.gz VHTJDIOBKMAXNH-KBMXLJTQSA-N 1 2 349.394 0.890 20 30 ECEDLO CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)S(C)(=O)=O)C[C@@]2(C)C1 ZINC000982306629 751927464 /nfs/dbraw/zinc/92/74/64/751927464.db2.gz VXNCYCXHYARYQZ-BMFZPTHFSA-N 1 2 326.462 0.613 20 30 ECEDLO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)S(C)(=O)=O)C[C@@]2(C)C1 ZINC000982306629 751927466 /nfs/dbraw/zinc/92/74/66/751927466.db2.gz VXNCYCXHYARYQZ-BMFZPTHFSA-N 1 2 326.462 0.613 20 30 ECEDLO C#Cc1cncc(C(=O)NC2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)c1 ZINC000999318742 744622681 /nfs/dbraw/zinc/62/26/81/744622681.db2.gz FFGUYROXSSNHAO-CQSZACIVSA-N 1 2 349.394 0.463 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3nnc[nH]3)C(C)(C)C2)C1=O ZINC000977354886 744891166 /nfs/dbraw/zinc/89/11/66/744891166.db2.gz JDAJDDQWFIERRS-RYUDHWBXSA-N 1 2 332.408 0.032 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3nnc[nH]3)C(C)(C)C2)C1=O ZINC000977354886 744891170 /nfs/dbraw/zinc/89/11/70/744891170.db2.gz JDAJDDQWFIERRS-RYUDHWBXSA-N 1 2 332.408 0.032 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C(C)(C)C1 ZINC000977363914 744905548 /nfs/dbraw/zinc/90/55/48/744905548.db2.gz NZRQOUQMWJTDLQ-GFCCVEGCSA-N 1 2 330.392 0.084 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C(C)(C)C1 ZINC000977363914 744905550 /nfs/dbraw/zinc/90/55/50/744905550.db2.gz NZRQOUQMWJTDLQ-GFCCVEGCSA-N 1 2 330.392 0.084 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cnc(C)[nH]1 ZINC000977469847 745058341 /nfs/dbraw/zinc/05/83/41/745058341.db2.gz XCXJVBUODZMRGD-ZBFHGGJFSA-N 1 2 343.431 0.489 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cnc(C)[nH]1 ZINC000977469847 745058345 /nfs/dbraw/zinc/05/83/45/745058345.db2.gz XCXJVBUODZMRGD-ZBFHGGJFSA-N 1 2 343.431 0.489 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC000977516823 745137724 /nfs/dbraw/zinc/13/77/24/745137724.db2.gz SLZFVGVWXCSOJD-CYBMUJFWSA-N 1 2 330.388 0.019 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC000977516823 745137727 /nfs/dbraw/zinc/13/77/27/745137727.db2.gz SLZFVGVWXCSOJD-CYBMUJFWSA-N 1 2 330.388 0.019 20 30 ECEDLO CN(C[C@H]1CCN1C(=O)CCc1c[nH]c[nH+]1)C(=O)c1cc(C#N)c[nH]1 ZINC000977528199 745148196 /nfs/dbraw/zinc/14/81/96/745148196.db2.gz KHXCBKSFFYDPEV-CQSZACIVSA-N 1 2 340.387 0.915 20 30 ECEDLO CN(C[C@H]1CCN1C(=O)CCc1c[nH+]c[nH]1)C(=O)c1cc(C#N)c[nH]1 ZINC000977528199 745148199 /nfs/dbraw/zinc/14/81/99/745148199.db2.gz KHXCBKSFFYDPEV-CQSZACIVSA-N 1 2 340.387 0.915 20 30 ECEDLO COc1cncc(C[N@@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)n1 ZINC001075780595 745323023 /nfs/dbraw/zinc/32/30/23/745323023.db2.gz PWTWQKNEJHGYFB-GOEBONIOSA-N 1 2 326.400 0.931 20 30 ECEDLO COc1cncc(C[N@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)n1 ZINC001075780595 745323029 /nfs/dbraw/zinc/32/30/29/745323029.db2.gz PWTWQKNEJHGYFB-GOEBONIOSA-N 1 2 326.400 0.931 20 30 ECEDLO CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 ZINC001083413914 745530956 /nfs/dbraw/zinc/53/09/56/745530956.db2.gz CHOIMLDIHSIJCV-CVEARBPZSA-N 1 2 343.387 0.720 20 30 ECEDLO CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 ZINC001083413914 745530958 /nfs/dbraw/zinc/53/09/58/745530958.db2.gz CHOIMLDIHSIJCV-CVEARBPZSA-N 1 2 343.387 0.720 20 30 ECEDLO Cn1nncc1C[N@H+]1CC=C(CNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001000565072 745600653 /nfs/dbraw/zinc/60/06/53/745600653.db2.gz XNJANKSGSMKFME-UHFFFAOYSA-N 1 2 325.376 0.577 20 30 ECEDLO Cn1nncc1C[N@@H+]1CC=C(CNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001000565072 745600657 /nfs/dbraw/zinc/60/06/57/745600657.db2.gz XNJANKSGSMKFME-UHFFFAOYSA-N 1 2 325.376 0.577 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC000978017443 745802899 /nfs/dbraw/zinc/80/28/99/745802899.db2.gz CVQYGLYQQZKGTB-XYJRDEOASA-N 1 2 340.391 0.079 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC000978017443 745802905 /nfs/dbraw/zinc/80/29/05/745802905.db2.gz CVQYGLYQQZKGTB-XYJRDEOASA-N 1 2 340.391 0.079 20 30 ECEDLO CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000984102767 745828771 /nfs/dbraw/zinc/82/87/71/745828771.db2.gz MLQZQDQXNZFSGH-AWEZNQCLSA-N 1 2 340.387 0.915 20 30 ECEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3C#N)C2)C1 ZINC001007000518 752037609 /nfs/dbraw/zinc/03/76/09/752037609.db2.gz JIHCFDBDKHYTKT-MSOLQXFVSA-N 1 2 342.443 0.969 20 30 ECEDLO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3C#N)C2)C1 ZINC001007000518 752037614 /nfs/dbraw/zinc/03/76/14/752037614.db2.gz JIHCFDBDKHYTKT-MSOLQXFVSA-N 1 2 342.443 0.969 20 30 ECEDLO CC#CCCCC(=O)N1CC[C@H](n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001098703536 746015190 /nfs/dbraw/zinc/01/51/90/746015190.db2.gz VCOOVHWFSVRYLQ-HIFRSBDPSA-N 1 2 346.435 0.209 20 30 ECEDLO N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)cn1 ZINC001059339414 746022852 /nfs/dbraw/zinc/02/28/52/746022852.db2.gz WLMVIWXQPBGQKA-JHJVBQTASA-N 1 2 337.387 0.866 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001001356273 746302943 /nfs/dbraw/zinc/30/29/43/746302943.db2.gz DNJYOBSQWKYJSJ-LLVKDONJSA-N 1 2 340.387 0.676 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001001356273 746302948 /nfs/dbraw/zinc/30/29/48/746302948.db2.gz DNJYOBSQWKYJSJ-LLVKDONJSA-N 1 2 340.387 0.676 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000984349574 746330167 /nfs/dbraw/zinc/33/01/67/746330167.db2.gz AMBBQQOPLMNZSW-CQSZACIVSA-N 1 2 340.387 0.846 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001098705808 746330906 /nfs/dbraw/zinc/33/09/06/746330906.db2.gz KKDYYHKSMVGGEQ-UKRRQHHQSA-N 1 2 348.451 0.489 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCOCC1 ZINC001029422376 746369597 /nfs/dbraw/zinc/36/95/97/746369597.db2.gz HVBIGNBPBXSDRL-GASCZTMLSA-N 1 2 335.448 0.733 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CCOCC1 ZINC001029422376 746369603 /nfs/dbraw/zinc/36/96/03/746369603.db2.gz HVBIGNBPBXSDRL-GASCZTMLSA-N 1 2 335.448 0.733 20 30 ECEDLO CCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)o1 ZINC001083417990 746438453 /nfs/dbraw/zinc/43/84/53/746438453.db2.gz NGEZPVLNYJNKJX-KGLIPLIRSA-N 1 2 343.387 0.720 20 30 ECEDLO CCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)o1 ZINC001083417990 746438456 /nfs/dbraw/zinc/43/84/56/746438456.db2.gz NGEZPVLNYJNKJX-KGLIPLIRSA-N 1 2 343.387 0.720 20 30 ECEDLO C=CCCCC(=O)N1CC[C@@H](n2cc(C[NH2+][C@H](CC)C(N)=O)nn2)C1 ZINC001098710571 746690281 /nfs/dbraw/zinc/69/02/81/746690281.db2.gz GSMHGWNZXJLAHB-HUUCEWRRSA-N 1 2 348.451 0.761 20 30 ECEDLO Cc1nnc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)[nH]1 ZINC001087940875 746694874 /nfs/dbraw/zinc/69/48/74/746694874.db2.gz ADGMVYVEECWVST-OCCSQVGLSA-N 1 2 339.403 0.907 20 30 ECEDLO Cc1nnc(C[N@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)[nH]1 ZINC001087940875 746694875 /nfs/dbraw/zinc/69/48/75/746694875.db2.gz ADGMVYVEECWVST-OCCSQVGLSA-N 1 2 339.403 0.907 20 30 ECEDLO Cn1cnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1 ZINC001087940342 746695227 /nfs/dbraw/zinc/69/52/27/746695227.db2.gz FZFHOYDQNTWZCQ-OCCSQVGLSA-N 1 2 339.403 0.609 20 30 ECEDLO Cn1cnnc1C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1 ZINC001087940342 746695230 /nfs/dbraw/zinc/69/52/30/746695230.db2.gz FZFHOYDQNTWZCQ-OCCSQVGLSA-N 1 2 339.403 0.609 20 30 ECEDLO COCCN(CCNC(=O)CCc1c[nH]c[nH+]1)c1ccnc(C#N)n1 ZINC001126561473 746714885 /nfs/dbraw/zinc/71/48/85/746714885.db2.gz HYIXSPXTXNLXRI-UHFFFAOYSA-N 1 2 343.391 0.273 20 30 ECEDLO COCCN(CCNC(=O)CCc1c[nH+]c[nH]1)c1ccnc(C#N)n1 ZINC001126561473 746714890 /nfs/dbraw/zinc/71/48/90/746714890.db2.gz HYIXSPXTXNLXRI-UHFFFAOYSA-N 1 2 343.391 0.273 20 30 ECEDLO CCC1(C(=O)N2CC[C@@H](n3cc(C[NH2+]CC#CCOC)nn3)C2)CC1 ZINC001098711874 746779613 /nfs/dbraw/zinc/77/96/13/746779613.db2.gz YIGWXVOCZAHHDS-MRXNPFEDSA-N 1 2 345.447 0.981 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC000978836584 746782462 /nfs/dbraw/zinc/78/24/62/746782462.db2.gz JPBYRIOGEUCLCB-TXEJJXNPSA-N 1 2 343.391 0.055 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2[nH]cc[nH+]2)[nH]1 ZINC001002086242 746963515 /nfs/dbraw/zinc/96/35/15/746963515.db2.gz RZLRJPAEFGLWGR-BNOWGMLFSA-N 1 2 338.371 0.714 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007163463 752146128 /nfs/dbraw/zinc/14/61/28/752146128.db2.gz XNAQNYGKADKYOE-OAHLLOKOSA-N 1 2 340.387 0.636 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007163463 752146136 /nfs/dbraw/zinc/14/61/36/752146136.db2.gz XNAQNYGKADKYOE-OAHLLOKOSA-N 1 2 340.387 0.636 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001002215961 747092488 /nfs/dbraw/zinc/09/24/88/747092488.db2.gz CYQKHRZYUBKIED-CVEARBPZSA-N 1 2 346.431 0.518 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3c(C)coc3C)[C@@H](O)C2)C1=O ZINC001083440545 752151473 /nfs/dbraw/zinc/15/14/73/752151473.db2.gz XDZZQWRQBKBTJP-KFWWJZLASA-N 1 2 347.415 0.458 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3c(C)coc3C)[C@@H](O)C2)C1=O ZINC001083440545 752151478 /nfs/dbraw/zinc/15/14/78/752151478.db2.gz XDZZQWRQBKBTJP-KFWWJZLASA-N 1 2 347.415 0.458 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)CC[C@@H]2C1 ZINC001088066608 747189468 /nfs/dbraw/zinc/18/94/68/747189468.db2.gz RJQRRIYVWWYJSO-OLZOCXBDSA-N 1 2 333.436 0.601 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)CC[C@@H]2C1 ZINC001088066608 747189471 /nfs/dbraw/zinc/18/94/71/747189471.db2.gz RJQRRIYVWWYJSO-OLZOCXBDSA-N 1 2 333.436 0.601 20 30 ECEDLO C[C@H](c1nncn1C)[NH+]1CCC(NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001002552085 747503794 /nfs/dbraw/zinc/50/37/94/747503794.db2.gz UITJGMOGCIVCII-LLVKDONJSA-N 1 2 327.392 0.970 20 30 ECEDLO C[C@H]([NH2+]Cc1cnsn1)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979294312 747555869 /nfs/dbraw/zinc/55/58/69/747555869.db2.gz OMWKAKPPZAKIRY-IINYFYTJSA-N 1 2 346.416 0.757 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COCCO1 ZINC001027766503 747556926 /nfs/dbraw/zinc/55/69/26/747556926.db2.gz SWNTZDCDDXMJDK-NEPJUHHUSA-N 1 2 333.226 0.891 20 30 ECEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COCCO1 ZINC001027766503 747556928 /nfs/dbraw/zinc/55/69/28/747556928.db2.gz SWNTZDCDDXMJDK-NEPJUHHUSA-N 1 2 333.226 0.891 20 30 ECEDLO COCc1noc(C[NH2+][C@H](C)[C@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC000979330724 747623918 /nfs/dbraw/zinc/62/39/18/747623918.db2.gz JVMDGVQFFXMBKN-TZMCWYRMSA-N 1 2 348.403 0.335 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC(F)(F)F)[C@H](OC)C1 ZINC001211977431 752198658 /nfs/dbraw/zinc/19/86/58/752198658.db2.gz IBWCYACSLUJKRL-HBNTYKKESA-N 1 2 337.342 0.445 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC(F)(F)F)[C@H](OC)C1 ZINC001211977431 752198664 /nfs/dbraw/zinc/19/86/64/752198664.db2.gz IBWCYACSLUJKRL-HBNTYKKESA-N 1 2 337.342 0.445 20 30 ECEDLO O=C(C#CC1CC1)N1CC(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001002760769 747745039 /nfs/dbraw/zinc/74/50/39/747745039.db2.gz ALUDBOBWRADJNP-HNNXBMFYSA-N 1 2 326.400 0.434 20 30 ECEDLO Cn1ncnc1C[N@H+](C)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000985369022 747817261 /nfs/dbraw/zinc/81/72/61/747817261.db2.gz XZQQVTKRMZBQMD-UHFFFAOYSA-N 1 2 327.392 0.751 20 30 ECEDLO Cn1ncnc1C[N@@H+](C)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000985369022 747817266 /nfs/dbraw/zinc/81/72/66/747817266.db2.gz XZQQVTKRMZBQMD-UHFFFAOYSA-N 1 2 327.392 0.751 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC001002849894 747874791 /nfs/dbraw/zinc/87/47/91/747874791.db2.gz XPPJONKFAWPDNQ-KGLIPLIRSA-N 1 2 349.435 0.170 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(CC)CC)[C@H](OC)C1 ZINC001211899264 748039396 /nfs/dbraw/zinc/03/93/96/748039396.db2.gz XRMOLQRGRPWHKX-BPLDGKMQSA-N 1 2 325.453 0.929 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(CC)CC)[C@H](OC)C1 ZINC001211899264 748039404 /nfs/dbraw/zinc/03/94/04/748039404.db2.gz XRMOLQRGRPWHKX-BPLDGKMQSA-N 1 2 325.453 0.929 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H](C[N@H+](C)Cc2nnnn2C(C)(C)C)C1 ZINC001029678846 748044114 /nfs/dbraw/zinc/04/41/14/748044114.db2.gz UAOGICFDYRJTHO-OLZOCXBDSA-N 1 2 333.440 0.868 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2nnnn2C(C)(C)C)C1 ZINC001029678846 748044122 /nfs/dbraw/zinc/04/41/22/748044122.db2.gz UAOGICFDYRJTHO-OLZOCXBDSA-N 1 2 333.440 0.868 20 30 ECEDLO Cn1cnnc1C[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001029709411 748123518 /nfs/dbraw/zinc/12/35/18/748123518.db2.gz IQSMHAKNSWSJRN-LBPRGKRZSA-N 1 2 327.392 0.609 20 30 ECEDLO Cn1cnnc1C[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001029709411 748123521 /nfs/dbraw/zinc/12/35/21/748123521.db2.gz IQSMHAKNSWSJRN-LBPRGKRZSA-N 1 2 327.392 0.609 20 30 ECEDLO Cc1nnc(C[N@H+](C)C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)[nH]1 ZINC001029712747 748125664 /nfs/dbraw/zinc/12/56/64/748125664.db2.gz ZBZBETBYSAMBEN-GFCCVEGCSA-N 1 2 327.392 0.907 20 30 ECEDLO Cc1nnc(C[N@@H+](C)C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)[nH]1 ZINC001029712747 748125666 /nfs/dbraw/zinc/12/56/66/748125666.db2.gz ZBZBETBYSAMBEN-GFCCVEGCSA-N 1 2 327.392 0.907 20 30 ECEDLO C[N@@H+](Cc1ncnn1CCF)C[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001029733514 748176273 /nfs/dbraw/zinc/17/62/73/748176273.db2.gz LKKNKQLHMDWKLJ-HNNXBMFYSA-N 1 2 333.411 0.941 20 30 ECEDLO C[N@H+](Cc1ncnn1CCF)C[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001029733514 748176276 /nfs/dbraw/zinc/17/62/76/748176276.db2.gz LKKNKQLHMDWKLJ-HNNXBMFYSA-N 1 2 333.411 0.941 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001059554179 748302178 /nfs/dbraw/zinc/30/21/78/748302178.db2.gz CPDCWLYRGKXFMP-YOEHRIQHSA-N 1 2 334.420 0.565 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000979858195 748537279 /nfs/dbraw/zinc/53/72/79/748537279.db2.gz YASKHMSAONXFDX-TUVASFSCSA-N 1 2 346.431 0.944 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2ncccc2O)C1=O ZINC001027844481 748552110 /nfs/dbraw/zinc/55/21/10/748552110.db2.gz SJPUDXXDGAHBGV-ZIAGYGMSSA-N 1 2 344.415 0.768 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2ncccc2O)C1=O ZINC001027844481 748552112 /nfs/dbraw/zinc/55/21/12/748552112.db2.gz SJPUDXXDGAHBGV-ZIAGYGMSSA-N 1 2 344.415 0.768 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001027861043 748796759 /nfs/dbraw/zinc/79/67/59/748796759.db2.gz PXOGSYGAPLDNCT-CABCVRRESA-N 1 2 346.362 0.886 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001027861043 748796764 /nfs/dbraw/zinc/79/67/64/748796764.db2.gz PXOGSYGAPLDNCT-CABCVRRESA-N 1 2 346.362 0.886 20 30 ECEDLO C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2)C3)nc1 ZINC001003745302 748853461 /nfs/dbraw/zinc/85/34/61/748853461.db2.gz KPZNMCIEXDMFRZ-OIISXLGYSA-N 1 2 349.394 0.821 20 30 ECEDLO CCn1nccc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001083426066 748980592 /nfs/dbraw/zinc/98/05/92/748980592.db2.gz REFVJMMJVUXVLK-HIFRSBDPSA-N 1 2 345.428 0.811 20 30 ECEDLO CCn1nccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001083426066 748980596 /nfs/dbraw/zinc/98/05/96/748980596.db2.gz REFVJMMJVUXVLK-HIFRSBDPSA-N 1 2 345.428 0.811 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001059645946 749092280 /nfs/dbraw/zinc/09/22/80/749092280.db2.gz KFEVVVKNIMHTDY-CABCVRRESA-N 1 2 346.431 0.356 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC001013931338 761930775 /nfs/dbraw/zinc/93/07/75/761930775.db2.gz BUMNWPVEPOEJKS-OCCSQVGLSA-N 1 2 337.383 0.748 20 30 ECEDLO C[C@@H]1[C@H]([NH2+]Cc2nc(N(C)C)no2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000986186680 749646124 /nfs/dbraw/zinc/64/61/24/749646124.db2.gz QSLQVJVLGOERJF-ZYHUDNBSSA-N 1 2 343.391 0.728 20 30 ECEDLO COCc1noc(C[NH2+][C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C)n1 ZINC000986188216 749646832 /nfs/dbraw/zinc/64/68/32/749646832.db2.gz UBXYTJOIXWWGOH-ZYHUDNBSSA-N 1 2 344.375 0.809 20 30 ECEDLO C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001004738061 749801266 /nfs/dbraw/zinc/80/12/66/749801266.db2.gz SGSOMFNSROTTHR-BXUZGUMPSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001004738377 749802106 /nfs/dbraw/zinc/80/21/06/749802106.db2.gz CNZWWJDXTZSJEE-SWLSCSKDSA-N 1 2 340.387 0.750 20 30 ECEDLO O=C([C@@H]1COCCO1)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000980740413 750057436 /nfs/dbraw/zinc/05/74/36/750057436.db2.gz JDEUVTRHKWUSHN-SFHVURJKSA-N 1 2 328.412 0.988 20 30 ECEDLO O=C([C@@H]1COCCO1)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000980740413 750057446 /nfs/dbraw/zinc/05/74/46/750057446.db2.gz JDEUVTRHKWUSHN-SFHVURJKSA-N 1 2 328.412 0.988 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001028072272 750497338 /nfs/dbraw/zinc/49/73/38/750497338.db2.gz KDTWNLRAPJBKMR-GHMZBOCLSA-N 1 2 330.226 0.612 20 30 ECEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001028072272 750497341 /nfs/dbraw/zinc/49/73/41/750497341.db2.gz KDTWNLRAPJBKMR-GHMZBOCLSA-N 1 2 330.226 0.612 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nnc(C)o3)[C@@H]2C)nn1 ZINC000987137313 750532865 /nfs/dbraw/zinc/53/28/65/750532865.db2.gz XXOBRUHZBLECKR-JQWIXIFHSA-N 1 2 331.380 0.548 20 30 ECEDLO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001005923387 750806184 /nfs/dbraw/zinc/80/61/84/750806184.db2.gz QCDQBTOYQHSHOU-NSHDSACASA-N 1 2 326.360 0.360 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3cncn3C)CC2)C1=O ZINC000981561307 750806739 /nfs/dbraw/zinc/80/67/39/750806739.db2.gz ITCDEKXDXMXELT-AWEZNQCLSA-N 1 2 331.420 0.355 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3cncn3C)CC2)C1=O ZINC000981561307 750806746 /nfs/dbraw/zinc/80/67/46/750806746.db2.gz ITCDEKXDXMXELT-AWEZNQCLSA-N 1 2 331.420 0.355 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3csnn3)CC2)C1=O ZINC000981704972 750984530 /nfs/dbraw/zinc/98/45/30/750984530.db2.gz WMHVSDJBBKKDKF-CYBMUJFWSA-N 1 2 335.433 0.473 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3csnn3)CC2)C1=O ZINC000981704972 750984534 /nfs/dbraw/zinc/98/45/34/750984534.db2.gz WMHVSDJBBKKDKF-CYBMUJFWSA-N 1 2 335.433 0.473 20 30 ECEDLO C=CCn1cc(C(=O)N(C)C2CC[NH+](Cc3cn(C)nn3)CC2)nn1 ZINC001006105838 751019821 /nfs/dbraw/zinc/01/98/21/751019821.db2.gz ZWMPLXHEXWCCTF-UHFFFAOYSA-N 1 2 344.423 0.329 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000987625215 751044326 /nfs/dbraw/zinc/04/43/26/751044326.db2.gz LETAUEJBJNWGAQ-YPMHNXCESA-N 1 2 326.360 0.502 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001059819231 751070913 /nfs/dbraw/zinc/07/09/13/751070913.db2.gz GPKWUXSCCDFWGI-HUUCEWRRSA-N 1 2 346.431 0.735 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001059819231 751070920 /nfs/dbraw/zinc/07/09/20/751070920.db2.gz GPKWUXSCCDFWGI-HUUCEWRRSA-N 1 2 346.431 0.735 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001006181494 751094468 /nfs/dbraw/zinc/09/44/68/751094468.db2.gz UOPWPVMYIBEWIQ-BMFZPTHFSA-N 1 2 346.431 0.827 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001059826483 751142260 /nfs/dbraw/zinc/14/22/60/751142260.db2.gz AYNFTFPKIPDPEN-RQJABVFESA-N 1 2 346.435 0.896 20 30 ECEDLO C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CN(C(=O)C#CC2CC2)C1 ZINC001006313999 751233046 /nfs/dbraw/zinc/23/30/46/751233046.db2.gz VOUJHWVVXYOXQP-UKRRQHHQSA-N 1 2 340.427 0.822 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC[N@@H+](CC(=O)N(C)C3CC3)CC2)c1 ZINC000981922935 751269882 /nfs/dbraw/zinc/26/98/82/751269882.db2.gz FTJHJHNSUUWVJO-UHFFFAOYSA-N 1 2 340.427 0.832 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC[N@H+](CC(=O)N(C)C3CC3)CC2)c1 ZINC000981922935 751269889 /nfs/dbraw/zinc/26/98/89/751269889.db2.gz FTJHJHNSUUWVJO-UHFFFAOYSA-N 1 2 340.427 0.832 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccc(N(C)C)c3)C2)nn1 ZINC001105366354 752462843 /nfs/dbraw/zinc/46/28/43/752462843.db2.gz KHMLEZONIWBDAF-UHFFFAOYSA-N 1 2 338.415 0.764 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H](C)[C@H]3CCCO3)C2)nn1 ZINC001105368164 752468220 /nfs/dbraw/zinc/46/82/20/752468220.db2.gz QRCTYQANNUUMPJ-XJKSGUPXSA-N 1 2 331.420 0.589 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1nn(C)cc1Br ZINC001126365075 752557972 /nfs/dbraw/zinc/55/79/72/752557972.db2.gz FOYWZHFSXBQHTJ-CYBMUJFWSA-N 1 2 345.241 0.716 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001007634524 752679577 /nfs/dbraw/zinc/67/95/77/752679577.db2.gz FQYYFGQICLQLNU-SUMWQHHRSA-N 1 2 345.403 0.332 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccccc2C)[C@H](OC)C1 ZINC001211780188 752710496 /nfs/dbraw/zinc/71/04/96/752710496.db2.gz WSMZSYHETUCJHT-DJIMGWMZSA-N 1 2 343.427 0.562 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccccc2C)[C@H](OC)C1 ZINC001211780188 752710500 /nfs/dbraw/zinc/71/05/00/752710500.db2.gz WSMZSYHETUCJHT-DJIMGWMZSA-N 1 2 343.427 0.562 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC[C@H](n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001098678984 752775637 /nfs/dbraw/zinc/77/56/37/752775637.db2.gz QDATXRYNLJBONL-JSGCOSHPSA-N 1 2 348.451 0.617 20 30 ECEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001007683192 752780854 /nfs/dbraw/zinc/78/08/54/752780854.db2.gz YTLJOZUUYUIBKH-GFCCVEGCSA-N 1 2 325.390 0.145 20 30 ECEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001007683192 752780856 /nfs/dbraw/zinc/78/08/56/752780856.db2.gz YTLJOZUUYUIBKH-GFCCVEGCSA-N 1 2 325.390 0.145 20 30 ECEDLO CC(C)n1nnnc1C[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001028488881 752824955 /nfs/dbraw/zinc/82/49/55/752824955.db2.gz JHWRENSIDLQWQV-LBPRGKRZSA-N 1 2 342.407 0.706 20 30 ECEDLO CC(C)n1nnnc1C[N@H+]1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001028488881 752824963 /nfs/dbraw/zinc/82/49/63/752824963.db2.gz JHWRENSIDLQWQV-LBPRGKRZSA-N 1 2 342.407 0.706 20 30 ECEDLO COCc1noc(C[N@@H+]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001028489200 752826001 /nfs/dbraw/zinc/82/60/01/752826001.db2.gz WGSVKKHNCCCNKQ-LLVKDONJSA-N 1 2 344.375 0.668 20 30 ECEDLO COCc1noc(C[N@H+]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001028489200 752826007 /nfs/dbraw/zinc/82/60/07/752826007.db2.gz WGSVKKHNCCCNKQ-LLVKDONJSA-N 1 2 344.375 0.668 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@]2(C1)CN(C(=O)CCc1[nH]cc[nH+]1)CCO2 ZINC001007712178 752846711 /nfs/dbraw/zinc/84/67/11/752846711.db2.gz NELAXHFVWYOARM-CXAGYDPISA-N 1 2 345.403 0.332 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3ccnnc3C)C2)C1=O ZINC001007813842 752955389 /nfs/dbraw/zinc/95/53/89/752955389.db2.gz QCXVHBPYUTYGKR-HOCLYGCPSA-N 1 2 343.431 0.766 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3ccnnc3C)C2)C1=O ZINC001007813842 752955393 /nfs/dbraw/zinc/95/53/93/752955393.db2.gz QCXVHBPYUTYGKR-HOCLYGCPSA-N 1 2 343.431 0.766 20 30 ECEDLO N#CCCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000426418800 752991301 /nfs/dbraw/zinc/99/13/01/752991301.db2.gz YLHXGLXJPGIDBI-UHFFFAOYSA-N 1 2 330.392 0.333 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000938090573 753048265 /nfs/dbraw/zinc/04/82/65/753048265.db2.gz DHEWCMUQLCCTLW-JSGCOSHPSA-N 1 2 346.456 0.983 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000938090573 753048270 /nfs/dbraw/zinc/04/82/70/753048270.db2.gz DHEWCMUQLCCTLW-JSGCOSHPSA-N 1 2 346.456 0.983 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2noc(-c3ccoc3)n2)C1 ZINC001051488207 762184637 /nfs/dbraw/zinc/18/46/37/762184637.db2.gz IPMZYVKZUKSGBM-YPMHNXCESA-N 1 2 345.359 0.806 20 30 ECEDLO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C3(S(C)(=O)=O)CCC3)C[C@@]2(C)C1 ZINC000982684192 753310240 /nfs/dbraw/zinc/31/02/40/753310240.db2.gz PXMHAOLSJPASDP-IYBDPMFKSA-N 1 2 338.473 0.757 20 30 ECEDLO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)C3(S(C)(=O)=O)CCC3)C[C@@]2(C)C1 ZINC000982684192 753310243 /nfs/dbraw/zinc/31/02/43/753310243.db2.gz PXMHAOLSJPASDP-IYBDPMFKSA-N 1 2 338.473 0.757 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccoc2C)[C@H](OC)C1 ZINC001211822551 753376922 /nfs/dbraw/zinc/37/69/22/753376922.db2.gz GYDWMJMIJBEJMF-NILFDRSVSA-N 1 2 335.404 0.708 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccoc2C)[C@H](OC)C1 ZINC001211822551 753376923 /nfs/dbraw/zinc/37/69/23/753376923.db2.gz GYDWMJMIJBEJMF-NILFDRSVSA-N 1 2 335.404 0.708 20 30 ECEDLO CCCCc1noc(C[NH2+]C[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)n1 ZINC001051495892 762210437 /nfs/dbraw/zinc/21/04/37/762210437.db2.gz YOGLKIMFVLPRDB-OLZOCXBDSA-N 1 2 335.408 0.889 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3CCNC3=O)C2)c1 ZINC001008178997 753428752 /nfs/dbraw/zinc/42/87/52/753428752.db2.gz SJCCVDGVJGSHEL-GJZGRUSLSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](NC(=O)[C@H]3CCNC3=O)C2)c1 ZINC001008178997 753428754 /nfs/dbraw/zinc/42/87/54/753428754.db2.gz SJCCVDGVJGSHEL-GJZGRUSLSA-N 1 2 344.390 0.914 20 30 ECEDLO CC1(C)CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001008287045 753549916 /nfs/dbraw/zinc/54/99/16/753549916.db2.gz ABHFBANOGNAWJX-AWEZNQCLSA-N 1 2 340.387 0.750 20 30 ECEDLO C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCc3c[nH]cn3)C2)nn1 ZINC001098680741 753583198 /nfs/dbraw/zinc/58/31/98/753583198.db2.gz IRKISZAKXSPINA-OAHLLOKOSA-N 1 2 329.408 0.683 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3conc3C)C2)C1=O ZINC001008393030 753690939 /nfs/dbraw/zinc/69/09/39/753690939.db2.gz HVBMNNGAQBLACD-HIFRSBDPSA-N 1 2 332.404 0.964 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3conc3C)C2)C1=O ZINC001008393030 753690943 /nfs/dbraw/zinc/69/09/43/753690943.db2.gz HVBMNNGAQBLACD-HIFRSBDPSA-N 1 2 332.404 0.964 20 30 ECEDLO CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001105490054 753732782 /nfs/dbraw/zinc/73/27/82/753732782.db2.gz YZKWUFMZROKDBH-CYBMUJFWSA-N 1 2 339.403 0.702 20 30 ECEDLO CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001105495747 753737658 /nfs/dbraw/zinc/73/76/58/753737658.db2.gz ZKLUONLHIVOGFL-ZDUSSCGKSA-N 1 2 339.403 0.702 20 30 ECEDLO Cc1cc(C#N)nc(N(C)CCN(C)C(=O)CCn2cc[nH+]c2)n1 ZINC001105520695 753789544 /nfs/dbraw/zinc/78/95/44/753789544.db2.gz KEKJRHJRGGRRLZ-UHFFFAOYSA-N 1 2 327.392 0.838 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)cn1 ZINC001014100246 762246954 /nfs/dbraw/zinc/24/69/54/762246954.db2.gz IOPQFPIVMSCACQ-LRDDRELGSA-N 1 2 337.383 0.748 20 30 ECEDLO COCCN(CCNC(=O)Cc1[nH]c[nH+]c1C)c1ccc(C#N)nn1 ZINC001126395071 753950167 /nfs/dbraw/zinc/95/01/67/753950167.db2.gz IJSYDADUUUNAHL-UHFFFAOYSA-N 1 2 343.391 0.192 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H]2C)nc1 ZINC000989492065 754024006 /nfs/dbraw/zinc/02/40/06/754024006.db2.gz FKRLWLRTBUQFBZ-OCCSQVGLSA-N 1 2 337.383 0.748 20 30 ECEDLO Cc1nc(NCc2cn([C@@H]3CCN(C(=O)[C@H](C)C#N)C3)nn2)cc[nH+]1 ZINC001051519599 762268387 /nfs/dbraw/zinc/26/83/87/762268387.db2.gz XWCUDQNANIJXBD-BXUZGUMPSA-N 1 2 340.391 0.922 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cnc(C)cn3)C2)nn1 ZINC001008799486 754131154 /nfs/dbraw/zinc/13/11/54/754131154.db2.gz MGQWVRVNGZTGJC-CQSZACIVSA-N 1 2 341.419 0.957 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cnc(C)cn3)C2)nn1 ZINC001008799486 754131160 /nfs/dbraw/zinc/13/11/60/754131160.db2.gz MGQWVRVNGZTGJC-CQSZACIVSA-N 1 2 341.419 0.957 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CCC[N@@H+]([C@@H](CC)C(N)=O)C2)nn1 ZINC001008826890 754166053 /nfs/dbraw/zinc/16/60/53/754166053.db2.gz VQYOEWMORMAGJO-JSGCOSHPSA-N 1 2 334.424 0.312 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@@H](CC)C(N)=O)C2)nn1 ZINC001008826890 754166055 /nfs/dbraw/zinc/16/60/55/754166055.db2.gz VQYOEWMORMAGJO-JSGCOSHPSA-N 1 2 334.424 0.312 20 30 ECEDLO C=C(Br)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2ncn[nH]2)C1 ZINC000989658024 754263687 /nfs/dbraw/zinc/26/36/87/754263687.db2.gz RKDRTGULLGWJHH-NXEZZACHSA-N 1 2 328.214 0.835 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C)C1 ZINC000989791117 754450109 /nfs/dbraw/zinc/45/01/09/754450109.db2.gz RRYGMHGJIZHWIP-QLFBSQMISA-N 1 2 335.448 0.779 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C)C1 ZINC000989791117 754450112 /nfs/dbraw/zinc/45/01/12/754450112.db2.gz RRYGMHGJIZHWIP-QLFBSQMISA-N 1 2 335.448 0.779 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000983064188 754535418 /nfs/dbraw/zinc/53/54/18/754535418.db2.gz CYSKOHFSCOHTIH-GFCCVEGCSA-N 1 2 340.387 0.739 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001009124731 754556326 /nfs/dbraw/zinc/55/63/26/754556326.db2.gz REYOFCIQRQTGDZ-ZIAGYGMSSA-N 1 2 346.431 0.975 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001009124731 754556328 /nfs/dbraw/zinc/55/63/28/754556328.db2.gz REYOFCIQRQTGDZ-ZIAGYGMSSA-N 1 2 346.431 0.975 20 30 ECEDLO C#CCOCCC(=O)NCC[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001060001915 754558836 /nfs/dbraw/zinc/55/88/36/754558836.db2.gz JJWGVXUUUSDXBR-INIZCTEOSA-N 1 2 346.431 0.668 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](Nc2cncc(C#N)n2)C1 ZINC001059088278 754596269 /nfs/dbraw/zinc/59/62/69/754596269.db2.gz YGRSXIBXIIGQMF-RYUDHWBXSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](Nc2cncc(C#N)n2)C1 ZINC001059088278 754596275 /nfs/dbraw/zinc/59/62/75/754596275.db2.gz YGRSXIBXIIGQMF-RYUDHWBXSA-N 1 2 325.376 0.963 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001009265103 754721915 /nfs/dbraw/zinc/72/19/15/754721915.db2.gz WVARXPGWAOAGNF-ZFWWWQNUSA-N 1 2 342.399 0.176 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001009265103 754721919 /nfs/dbraw/zinc/72/19/19/754721919.db2.gz WVARXPGWAOAGNF-ZFWWWQNUSA-N 1 2 342.399 0.176 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001009266209 754722804 /nfs/dbraw/zinc/72/28/04/754722804.db2.gz YGVHXENPISTEQC-HOTGVXAUSA-N 1 2 326.400 0.917 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001009266209 754722806 /nfs/dbraw/zinc/72/28/06/754722806.db2.gz YGVHXENPISTEQC-HOTGVXAUSA-N 1 2 326.400 0.917 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001009266206 754722830 /nfs/dbraw/zinc/72/28/30/754722830.db2.gz YGVHXENPISTEQC-CVEARBPZSA-N 1 2 326.400 0.917 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001009266206 754722833 /nfs/dbraw/zinc/72/28/33/754722833.db2.gz YGVHXENPISTEQC-CVEARBPZSA-N 1 2 326.400 0.917 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)cn1 ZINC001009278106 754736933 /nfs/dbraw/zinc/73/69/33/754736933.db2.gz SVBGRSHUEXNSOT-HUUCEWRRSA-N 1 2 340.383 0.062 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)cn1 ZINC001009278106 754736937 /nfs/dbraw/zinc/73/69/37/754736937.db2.gz SVBGRSHUEXNSOT-HUUCEWRRSA-N 1 2 340.383 0.062 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2nnnn2C)C1 ZINC001028862494 755330200 /nfs/dbraw/zinc/33/02/00/755330200.db2.gz STSCNGPCMMOUKC-IPYPFGDCSA-N 1 2 334.424 0.129 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2nnnn2C)C1 ZINC001028862494 755330215 /nfs/dbraw/zinc/33/02/15/755330215.db2.gz STSCNGPCMMOUKC-IPYPFGDCSA-N 1 2 334.424 0.129 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001060041645 755347144 /nfs/dbraw/zinc/34/71/44/755347144.db2.gz CFMCYZDVOLKFOY-CABCVRRESA-N 1 2 346.431 0.654 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)nc1 ZINC000983365730 755410909 /nfs/dbraw/zinc/41/09/09/755410909.db2.gz TWEQEKDXNMRFIP-AWEZNQCLSA-N 1 2 337.383 0.607 20 30 ECEDLO CN(CC[NH+]1CCN(c2ccnc(C#N)n2)CC1)C(=O)CCCF ZINC001102421288 755630298 /nfs/dbraw/zinc/63/02/98/755630298.db2.gz FPXGWUIRTQSOJU-UHFFFAOYSA-N 1 2 334.399 0.678 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CC2(CCN(CC#N)CC2)O1 ZINC001098660522 755935676 /nfs/dbraw/zinc/93/56/76/755935676.db2.gz UUJHLCQHICQFAX-HNNXBMFYSA-N 1 2 345.447 0.958 20 30 ECEDLO C[C@@H]1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001010326540 756001258 /nfs/dbraw/zinc/00/12/58/756001258.db2.gz AWFZQQGDGDYEOF-NEPJUHHUSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H]1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001010327078 756004247 /nfs/dbraw/zinc/00/42/47/756004247.db2.gz GNSZELPWPWKNJO-RYUDHWBXSA-N 1 2 340.387 0.819 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)[C@H](O)C2)C1 ZINC000991648277 762438742 /nfs/dbraw/zinc/43/87/42/762438742.db2.gz RNUJJZDKTLTTRV-DZGCQCFKSA-N 1 2 346.431 0.695 20 30 ECEDLO C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001076076726 756062887 /nfs/dbraw/zinc/06/28/87/756062887.db2.gz YWFNQVHGQNKELQ-NSHDSACASA-N 1 2 328.376 0.867 20 30 ECEDLO C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001076076726 756062894 /nfs/dbraw/zinc/06/28/94/756062894.db2.gz YWFNQVHGQNKELQ-NSHDSACASA-N 1 2 328.376 0.867 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)CN2CCOCC2)C1 ZINC001010670168 756376371 /nfs/dbraw/zinc/37/63/71/756376371.db2.gz OUEQKPIGPBPUCF-KRWDZBQOSA-N 1 2 328.416 0.581 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2)C1 ZINC001010670168 756376375 /nfs/dbraw/zinc/37/63/75/756376375.db2.gz OUEQKPIGPBPUCF-KRWDZBQOSA-N 1 2 328.416 0.581 20 30 ECEDLO C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001010688259 756399256 /nfs/dbraw/zinc/39/92/56/756399256.db2.gz IQGZJMKRRWDJBE-DZGCQCFKSA-N 1 2 343.431 0.949 20 30 ECEDLO C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001010688259 756399263 /nfs/dbraw/zinc/39/92/63/756399263.db2.gz IQGZJMKRRWDJBE-DZGCQCFKSA-N 1 2 343.431 0.949 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CCCN(C(=O)[C@@H](C)C#N)C2 ZINC001010763628 756494382 /nfs/dbraw/zinc/49/43/82/756494382.db2.gz OJDXBBNMJFFIGI-LBPRGKRZSA-N 1 2 329.404 0.871 20 30 ECEDLO Cn1oc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1=O ZINC001010773678 756505083 /nfs/dbraw/zinc/50/50/83/756505083.db2.gz OHDVXFYGAXKXBI-AWEZNQCLSA-N 1 2 326.356 0.854 20 30 ECEDLO Cn1oc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cc1=O ZINC001010773678 756505086 /nfs/dbraw/zinc/50/50/86/756505086.db2.gz OHDVXFYGAXKXBI-AWEZNQCLSA-N 1 2 326.356 0.854 20 30 ECEDLO C#CCOCCC(=O)NCC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001076506071 756590493 /nfs/dbraw/zinc/59/04/93/756590493.db2.gz KPOMFGHUJRCNCE-LSDHHAIUSA-N 1 2 334.420 0.885 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C(C)=O)CCO3)[C@@H]2C1 ZINC001076517794 756594718 /nfs/dbraw/zinc/59/47/18/756594718.db2.gz XSUWZTNOFUPQFA-RRFJBIMHSA-N 1 2 341.839 0.519 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C(C)=O)CCO3)[C@@H]2C1 ZINC001076517794 756594723 /nfs/dbraw/zinc/59/47/23/756594723.db2.gz XSUWZTNOFUPQFA-RRFJBIMHSA-N 1 2 341.839 0.519 20 30 ECEDLO C=CCn1cc(C(=O)NCC[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)nn1 ZINC001076575675 756663699 /nfs/dbraw/zinc/66/36/99/756663699.db2.gz CWJRNPPMJSAQER-NSHDSACASA-N 1 2 331.380 0.055 20 30 ECEDLO C=CCn1cc(C(=O)NCC[C@H](C)NC(=O)CCn2cc[nH+]c2)nn1 ZINC001076577237 756689949 /nfs/dbraw/zinc/68/99/49/756689949.db2.gz VUSJUDMMUVXBGA-ZDUSSCGKSA-N 1 2 345.407 0.376 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001011020202 756774620 /nfs/dbraw/zinc/77/46/20/756774620.db2.gz UUGNFOPMKHSYCA-UHFFFAOYSA-N 1 2 340.387 0.537 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)c1 ZINC001011062752 756858890 /nfs/dbraw/zinc/85/88/90/756858890.db2.gz PBALXAUYNNNOHG-UHFFFAOYSA-N 1 2 337.383 0.703 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccsc3)C2)C1=O ZINC001076720802 756923307 /nfs/dbraw/zinc/92/33/07/756923307.db2.gz NMIKJESKVRSCLN-HZSPNIEDSA-N 1 2 335.429 0.310 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccsc3)C2)C1=O ZINC001076720802 756923309 /nfs/dbraw/zinc/92/33/09/756923309.db2.gz NMIKJESKVRSCLN-HZSPNIEDSA-N 1 2 335.429 0.310 20 30 ECEDLO N#Cc1cccnc1NC[C@@H](O)CNC(=O)CCCn1cc[nH+]c1 ZINC001105894457 762504993 /nfs/dbraw/zinc/50/49/93/762504993.db2.gz PCOOGPPBAGDDCA-AWEZNQCLSA-N 1 2 328.376 0.519 20 30 ECEDLO C#CCCCC(=O)N[C@@H](C)CCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001076771802 757047016 /nfs/dbraw/zinc/04/70/16/757047016.db2.gz ZYUQVFDDHUHWPC-YJBOKZPZSA-N 1 2 349.475 0.912 20 30 ECEDLO C[C@@H](C#N)C(=O)NCc1cn(C2C[NH+](CCc3ccns3)C2)nn1 ZINC001107149605 757051810 /nfs/dbraw/zinc/05/18/10/757051810.db2.gz KMKAEZOPCRBPNR-NSHDSACASA-N 1 2 345.432 0.610 20 30 ECEDLO CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1O ZINC001048811309 757071046 /nfs/dbraw/zinc/07/10/46/757071046.db2.gz UKNNIYUJQXLVEE-KBPBESRZSA-N 1 2 332.404 0.032 20 30 ECEDLO CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1O ZINC001048813696 757078727 /nfs/dbraw/zinc/07/87/27/757078727.db2.gz IMCXZTOBZKMBDN-GJZGRUSLSA-N 1 2 332.404 0.032 20 30 ECEDLO CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1O ZINC001048813696 757078737 /nfs/dbraw/zinc/07/87/37/757078737.db2.gz IMCXZTOBZKMBDN-GJZGRUSLSA-N 1 2 332.404 0.032 20 30 ECEDLO CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@@H]1O ZINC001048813914 757079765 /nfs/dbraw/zinc/07/97/65/757079765.db2.gz QEEPWZUFEGURAL-PMPSAXMXSA-N 1 2 346.431 0.524 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@H]3[C@@H]4CCC[C@@H]43)nn2)C1 ZINC001107153076 757112230 /nfs/dbraw/zinc/11/22/30/757112230.db2.gz RNNONEOBRUHZAJ-FVQHAEBGSA-N 1 2 345.447 1.000 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3cc[nH]c3C)nn2)C1 ZINC001107152831 757112257 /nfs/dbraw/zinc/11/22/57/757112257.db2.gz JGAZJDUWLARJTQ-UHFFFAOYSA-N 1 2 344.419 0.904 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC3(F)F)nn2)C1 ZINC001107167514 757234364 /nfs/dbraw/zinc/23/43/64/757234364.db2.gz ZZXKNCRLHVNCDO-ZDUSSCGKSA-N 1 2 341.362 0.609 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CN(C)C(=O)C(C)C)nn2)C1 ZINC001107176649 757256084 /nfs/dbraw/zinc/25/60/84/757256084.db2.gz GJYWJMVLNHYYSV-UHFFFAOYSA-N 1 2 334.424 0.051 20 30 ECEDLO C=CCn1cccc1C(=O)N1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001011281614 757397855 /nfs/dbraw/zinc/39/78/55/757397855.db2.gz JGAQBGLDEVFGIU-UHFFFAOYSA-N 1 2 327.388 0.855 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3cnc[nH]c3=O)[C@@H](O)C2)s1 ZINC001083555203 757398560 /nfs/dbraw/zinc/39/85/60/757398560.db2.gz RJPDMCPDPAKYSH-OLZOCXBDSA-N 1 2 345.384 0.090 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)c3cnc[nH]c3=O)[C@@H](O)C2)s1 ZINC001083555203 757398572 /nfs/dbraw/zinc/39/85/72/757398572.db2.gz RJPDMCPDPAKYSH-OLZOCXBDSA-N 1 2 345.384 0.090 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)COCC(F)F)nn2)C1 ZINC001107189541 757425675 /nfs/dbraw/zinc/42/56/75/757425675.db2.gz CJPSESFNTZYMRB-UHFFFAOYSA-N 1 2 327.335 0.056 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)NC(=O)C(C)(C)C)nn2)C1 ZINC001107190936 757442523 /nfs/dbraw/zinc/44/25/23/757442523.db2.gz IQDLRGAENVYNDN-GFCCVEGCSA-N 1 2 348.451 0.488 20 30 ECEDLO C=C1CC(C)(C(=O)NCc2cn(C3C[NH+](CCOCCO)C3)nn2)C1 ZINC001107210656 757692683 /nfs/dbraw/zinc/69/26/83/757692683.db2.gz BMMBRAXNBUUDLQ-UHFFFAOYSA-N 1 2 349.435 0.116 20 30 ECEDLO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001049019888 757713830 /nfs/dbraw/zinc/71/38/30/757713830.db2.gz WGTOHIWUNXLKAA-ILXRZTDVSA-N 1 2 346.431 0.442 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1c1ccc(C#N)nn1 ZINC001049022404 757721876 /nfs/dbraw/zinc/72/18/76/757721876.db2.gz RUMOKNIPDQQLRZ-UONOGXRCSA-N 1 2 325.376 0.788 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)Cc3ccnc(OC)c3)nn2)C1 ZINC001107212056 757742404 /nfs/dbraw/zinc/74/24/04/757742404.db2.gz LSUKDKRSSHYWJH-UHFFFAOYSA-N 1 2 342.403 0.583 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCCn2cc[nH+]c2)C1 ZINC001049031140 757743555 /nfs/dbraw/zinc/74/35/55/757743555.db2.gz PQTKMEXHBNJYRZ-GJZGRUSLSA-N 1 2 348.447 0.906 20 30 ECEDLO Cc1c[nH]nc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076966451 757765515 /nfs/dbraw/zinc/76/55/15/757765515.db2.gz XDFCAHRDJMSPNB-HUUCEWRRSA-N 1 2 325.372 0.565 20 30 ECEDLO Cc1c[nH]nc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076966451 757765522 /nfs/dbraw/zinc/76/55/22/757765522.db2.gz XDFCAHRDJMSPNB-HUUCEWRRSA-N 1 2 325.372 0.565 20 30 ECEDLO C=CCCC[NH+]1CC(n2cc(CNC(=O)CCc3c[nH]nn3)nn2)C1 ZINC001107213761 757776193 /nfs/dbraw/zinc/77/61/93/757776193.db2.gz IKZLAJUGWHVWFC-UHFFFAOYSA-N 1 2 344.423 0.468 20 30 ECEDLO C=CCCC[NH+]1CC(n2cc(CNC(=O)CCc3cnn[nH]3)nn2)C1 ZINC001107213761 757776203 /nfs/dbraw/zinc/77/62/03/757776203.db2.gz IKZLAJUGWHVWFC-UHFFFAOYSA-N 1 2 344.423 0.468 20 30 ECEDLO C#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CCS(=O)(=O)CC2)C1 ZINC001021682296 757777432 /nfs/dbraw/zinc/77/74/32/757777432.db2.gz ONUKIXLYPBZONM-HZPDHXFCSA-N 1 2 338.473 0.757 20 30 ECEDLO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CCS(=O)(=O)CC2)C1 ZINC001021682296 757777437 /nfs/dbraw/zinc/77/74/37/757777437.db2.gz ONUKIXLYPBZONM-HZPDHXFCSA-N 1 2 338.473 0.757 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C[C@@H](OC)C(F)(F)F)nn2)C1 ZINC001107227039 757886119 /nfs/dbraw/zinc/88/61/19/757886119.db2.gz BHZQPTUDGXWDPU-GFCCVEGCSA-N 1 2 347.341 0.904 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCCCCNC(C)=O)nn2)C1 ZINC001107234476 758017070 /nfs/dbraw/zinc/01/70/70/758017070.db2.gz DNKDHZAUNCDPKQ-UHFFFAOYSA-N 1 2 348.451 0.634 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)OCC=C)nn2)C1 ZINC001107240865 758041206 /nfs/dbraw/zinc/04/12/06/758041206.db2.gz HNZJABQEFIFSOB-AWEZNQCLSA-N 1 2 349.435 0.545 20 30 ECEDLO CCc1nc(C#N)cc(NC/C=C/CNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001107311227 758240633 /nfs/dbraw/zinc/24/06/33/758240633.db2.gz BKHIPKLVNLDRHR-ONEGZZNKSA-N 1 2 325.376 0.961 20 30 ECEDLO C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@@H]1O ZINC001049180597 758240760 /nfs/dbraw/zinc/24/07/60/758240760.db2.gz MDCTZSXIWZBAAR-SNPRPXQTSA-N 1 2 348.447 0.831 20 30 ECEDLO C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001049180597 758240769 /nfs/dbraw/zinc/24/07/69/758240769.db2.gz MDCTZSXIWZBAAR-SNPRPXQTSA-N 1 2 348.447 0.831 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cccnc3)c2)C1 ZINC001077129024 758267776 /nfs/dbraw/zinc/26/77/76/758267776.db2.gz PWEQGIGPXNPDDU-HZPDHXFCSA-N 1 2 325.372 0.066 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cccnc3)c2)C1 ZINC001077129024 758267779 /nfs/dbraw/zinc/26/77/79/758267779.db2.gz PWEQGIGPXNPDDU-HZPDHXFCSA-N 1 2 325.372 0.066 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nnnn1C)CC2 ZINC001107377386 758406061 /nfs/dbraw/zinc/40/60/61/758406061.db2.gz JKLYAQQOGDEQSK-XOKHGSTOSA-N 1 2 348.451 0.398 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nnnn1C)CC2 ZINC001107377386 758406064 /nfs/dbraw/zinc/40/60/64/758406064.db2.gz JKLYAQQOGDEQSK-XOKHGSTOSA-N 1 2 348.451 0.398 20 30 ECEDLO C[C@@H](CCNC(=O)CCCn1cc[nH+]c1)NC(=O)CSCC#N ZINC001077169408 758406763 /nfs/dbraw/zinc/40/67/63/758406763.db2.gz FXILBMXPTMCAJD-ZDUSSCGKSA-N 1 2 337.449 0.931 20 30 ECEDLO N#Cc1cnccc1NC/C=C/CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001107390707 758418990 /nfs/dbraw/zinc/41/89/90/758418990.db2.gz YVRNWHCRQZDKCZ-YUKKFKLSSA-N 1 2 336.399 0.919 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 ZINC001022212872 758431821 /nfs/dbraw/zinc/43/18/21/758431821.db2.gz UJWNRNULZKWJSR-GOEBONIOSA-N 1 2 326.400 0.435 20 30 ECEDLO N#Cc1cnccc1NC/C=C\CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001107393577 758451195 /nfs/dbraw/zinc/45/11/95/758451195.db2.gz DQSRAENSGYFZBA-BOPNBLERSA-N 1 2 336.399 0.919 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001014423319 762654609 /nfs/dbraw/zinc/65/46/09/762654609.db2.gz GFZGHBYPIKMDGU-VXGBXAGGSA-N 1 2 337.811 0.706 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001014423319 762654615 /nfs/dbraw/zinc/65/46/15/762654615.db2.gz GFZGHBYPIKMDGU-VXGBXAGGSA-N 1 2 337.811 0.706 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Br)c[nH]2)C1 ZINC001077330387 758819468 /nfs/dbraw/zinc/81/94/68/758819468.db2.gz DAKIWJVKZMFHAK-VXGBXAGGSA-N 1 2 326.194 0.575 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Br)c[nH]2)C1 ZINC001077330387 758819475 /nfs/dbraw/zinc/81/94/75/758819475.db2.gz DAKIWJVKZMFHAK-VXGBXAGGSA-N 1 2 326.194 0.575 20 30 ECEDLO C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001049549199 758908544 /nfs/dbraw/zinc/90/85/44/758908544.db2.gz OGLZPQQCRDFTOU-HUUCEWRRSA-N 1 2 336.457 0.510 20 30 ECEDLO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001049549199 758908548 /nfs/dbraw/zinc/90/85/48/758908548.db2.gz OGLZPQQCRDFTOU-HUUCEWRRSA-N 1 2 336.457 0.510 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C#CC3CC3)C2)nn1 ZINC001098669789 759059594 /nfs/dbraw/zinc/05/95/94/759059594.db2.gz XUQMMWQUAPRENZ-QGZVFWFLSA-N 1 2 341.415 0.204 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3noc(CCC)n3)C2)nn1 ZINC001022824878 759146931 /nfs/dbraw/zinc/14/69/31/759146931.db2.gz PKMYJOXHZZOCIH-TXEJJXNPSA-N 1 2 345.407 0.850 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001012008856 759189132 /nfs/dbraw/zinc/18/91/32/759189132.db2.gz PVVSEBZDJLPVDJ-ZWNOBZJWSA-N 1 2 326.360 0.571 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C)nn1 ZINC001012012657 759202989 /nfs/dbraw/zinc/20/29/89/759202989.db2.gz OYSCNTSKVLILRU-VXGBXAGGSA-N 1 2 343.391 0.149 20 30 ECEDLO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001049791866 759215657 /nfs/dbraw/zinc/21/56/57/759215657.db2.gz CIZBEXZWLQSYMS-UONOGXRCSA-N 1 2 342.403 0.323 20 30 ECEDLO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001049791866 759215665 /nfs/dbraw/zinc/21/56/65/759215665.db2.gz CIZBEXZWLQSYMS-UONOGXRCSA-N 1 2 342.403 0.323 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C)nn1 ZINC001012106527 759421913 /nfs/dbraw/zinc/42/19/13/759421913.db2.gz VYHKLRVVFQLQFH-DGCLKSJQSA-N 1 2 343.391 0.149 20 30 ECEDLO C[C@H](NC(=O)CCn1cc[nH+]c1)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001050102937 759706392 /nfs/dbraw/zinc/70/63/92/759706392.db2.gz HZOZTYZDCNADAF-KBPBESRZSA-N 1 2 349.460 0.883 20 30 ECEDLO C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001050104638 759711959 /nfs/dbraw/zinc/71/19/59/759711959.db2.gz RPHWNDSISZPQRY-CHWSQXEVSA-N 1 2 335.433 0.493 20 30 ECEDLO C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001050105530 759713228 /nfs/dbraw/zinc/71/32/28/759713228.db2.gz XGCZQPGKEKNVPQ-CHWSQXEVSA-N 1 2 349.460 0.952 20 30 ECEDLO C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001050105530 759713233 /nfs/dbraw/zinc/71/32/33/759713233.db2.gz XGCZQPGKEKNVPQ-CHWSQXEVSA-N 1 2 349.460 0.952 20 30 ECEDLO NC(=O)c1ccc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)cn1 ZINC001032224198 759944753 /nfs/dbraw/zinc/94/47/53/759944753.db2.gz XLQSTRAXXOIOJS-UHFFFAOYSA-N 1 2 348.406 0.894 20 30 ECEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1OC ZINC001212349376 760058449 /nfs/dbraw/zinc/05/84/49/760058449.db2.gz SIHNQEAADNFPEA-RRFJBIMHSA-N 1 2 344.477 0.593 20 30 ECEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1OC ZINC001212349376 760058461 /nfs/dbraw/zinc/05/84/61/760058461.db2.gz SIHNQEAADNFPEA-RRFJBIMHSA-N 1 2 344.477 0.593 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H]([C@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001050298192 760080723 /nfs/dbraw/zinc/08/07/23/760080723.db2.gz SFAHYAAIQYMHOK-KBPBESRZSA-N 1 2 334.420 0.518 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H]([C@H](C)NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001050298761 760081631 /nfs/dbraw/zinc/08/16/31/760081631.db2.gz XYTIVGIWTYWJGY-UONOGXRCSA-N 1 2 334.420 0.898 20 30 ECEDLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001050484305 760340141 /nfs/dbraw/zinc/34/01/41/760340141.db2.gz SLIPIIMYCFBIOB-NEPJUHHUSA-N 1 2 340.387 0.819 20 30 ECEDLO Cn1cnnc1C[NH+]1CCC2(CN(C(=O)c3ccc(C#N)[nH]3)C2)CC1 ZINC001050487293 760344372 /nfs/dbraw/zinc/34/43/72/760344372.db2.gz FPSZIMMUDWDWCC-UHFFFAOYSA-N 1 2 339.403 0.753 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H]([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001050722550 760727239 /nfs/dbraw/zinc/72/72/39/760727239.db2.gz WLLJLVBVDLKDKD-GJZGRUSLSA-N 1 2 332.404 0.276 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C[C@H]2CCOC2)C1=O ZINC001017431483 767977211 /nfs/dbraw/zinc/97/72/11/767977211.db2.gz DVSOJUIAFBXHJM-NCOADZHNSA-N 1 2 347.459 0.875 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C[C@H]2CCOC2)C1=O ZINC001017431483 767977217 /nfs/dbraw/zinc/97/72/17/767977217.db2.gz DVSOJUIAFBXHJM-NCOADZHNSA-N 1 2 347.459 0.875 20 30 ECEDLO CC(C)(C)C(=O)C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101174958 760818002 /nfs/dbraw/zinc/81/80/02/760818002.db2.gz AAPXCAZWOTZZKU-PXAZEXFGSA-N 1 2 334.420 0.022 20 30 ECEDLO CC(C)(C)C(=O)C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101174958 760818014 /nfs/dbraw/zinc/81/80/14/760818014.db2.gz AAPXCAZWOTZZKU-PXAZEXFGSA-N 1 2 334.420 0.022 20 30 ECEDLO C[C@H](CCNc1[nH+]cnc2c1cnn2C)NC(=O)CSCC#N ZINC001106230069 767991829 /nfs/dbraw/zinc/99/18/29/767991829.db2.gz GQEHFGRNTQPCJA-SNVBAGLBSA-N 1 2 333.421 0.927 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cn1cc[nH+]c1 ZINC001013030662 760974241 /nfs/dbraw/zinc/97/42/41/760974241.db2.gz HGZIKSNRCDTQII-FZMZJTMJSA-N 1 2 326.360 0.502 20 30 ECEDLO Cc1csc(NC(=O)C[N@@H+]2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)n1 ZINC001048727934 761054931 /nfs/dbraw/zinc/05/49/31/761054931.db2.gz PRFCAOALDSKNMG-WCFLWFBJSA-N 1 2 347.444 0.940 20 30 ECEDLO Cc1csc(NC(=O)C[N@H+]2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)n1 ZINC001048727934 761054938 /nfs/dbraw/zinc/05/49/38/761054938.db2.gz PRFCAOALDSKNMG-WCFLWFBJSA-N 1 2 347.444 0.940 20 30 ECEDLO Cn1c[nH+]cc1CN1CCOC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001050878738 761057675 /nfs/dbraw/zinc/05/76/75/761057675.db2.gz YLHHEPLVXBIRBG-HNNXBMFYSA-N 1 2 328.376 0.251 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1c1ccc(C#N)nn1 ZINC001048731584 761064244 /nfs/dbraw/zinc/06/42/44/761064244.db2.gz CDFRQFPPUAQLGV-UONOGXRCSA-N 1 2 325.376 0.718 20 30 ECEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NC[C@H]2COCCN2CC#N)[nH]n1 ZINC001050926322 761155131 /nfs/dbraw/zinc/15/51/31/761155131.db2.gz ZXYFIKPUSKPAFN-WFASDCNBSA-N 1 2 332.408 0.131 20 30 ECEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NC[C@H]2COCCN2CC#N)[nH]n1 ZINC001050926322 761155134 /nfs/dbraw/zinc/15/51/34/761155134.db2.gz ZXYFIKPUSKPAFN-WFASDCNBSA-N 1 2 332.408 0.131 20 30 ECEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)c3n[nH]nc3C)CC2)C1 ZINC001105716769 761282671 /nfs/dbraw/zinc/28/26/71/761282671.db2.gz BBVXKVCQYZQQJA-UHFFFAOYSA-N 1 2 349.435 0.621 20 30 ECEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@]3(COC)CCOC3)CC2)C1 ZINC001105717331 761298154 /nfs/dbraw/zinc/29/81/54/761298154.db2.gz VFCSLICMCZMCJU-GOSISDBHSA-N 1 2 338.448 0.917 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)CCn1cc[nH+]c1 ZINC001013406578 761373873 /nfs/dbraw/zinc/37/38/73/761373873.db2.gz NKGPKCLSOKWMTP-OCCSQVGLSA-N 1 2 340.387 0.892 20 30 ECEDLO C[C@@]12CN(C(=O)C#CC3CC3)C[C@@H]1CN(C(=O)Cn1cc[nH+]c1)C2 ZINC000993084109 768036187 /nfs/dbraw/zinc/03/61/87/768036187.db2.gz IJJLACSWSCNWMI-QAPCUYQASA-N 1 2 326.400 0.603 20 30 ECEDLO C=CCN1CCOC[C@@H]1CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001051075690 761444653 /nfs/dbraw/zinc/44/46/53/761444653.db2.gz MEAVEDHVXMNPKB-IRXDYDNUSA-N 1 2 337.464 0.633 20 30 ECEDLO C=CCN1CCOC[C@@H]1CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001051075690 761444658 /nfs/dbraw/zinc/44/46/58/761444658.db2.gz MEAVEDHVXMNPKB-IRXDYDNUSA-N 1 2 337.464 0.633 20 30 ECEDLO COCc1noc(C[NH2+][C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C)n1 ZINC001054554651 768039918 /nfs/dbraw/zinc/03/99/18/768039918.db2.gz ZSSNVEKZDIGGBZ-GWCFXTLKSA-N 1 2 344.375 0.666 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(c2ncccc2C#N)C[C@@H]1O ZINC001051712081 762765676 /nfs/dbraw/zinc/76/56/76/762765676.db2.gz KJMPWLHQEFUOSY-ZFWWWQNUSA-N 1 2 340.387 0.283 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)NC[C@@H](O)CNc1ncccc1C#N ZINC001105927867 762836107 /nfs/dbraw/zinc/83/61/07/762836107.db2.gz OCPQWUKUFOVHJY-CQSZACIVSA-N 1 2 328.376 0.209 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001046804443 763142622 /nfs/dbraw/zinc/14/26/22/763142622.db2.gz QSGVFXSDHLJUNE-CHWSQXEVSA-N 1 2 346.431 0.425 20 30 ECEDLO C=CC(C)(C)CC(=O)NC[C@H](O)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001105980668 763218080 /nfs/dbraw/zinc/21/80/80/763218080.db2.gz ZXIDDXJKBAVLCV-ZDUSSCGKSA-N 1 2 347.463 0.956 20 30 ECEDLO C=CC(C)(C)CC(=O)NC[C@H](O)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001105980668 763218088 /nfs/dbraw/zinc/21/80/88/763218088.db2.gz ZXIDDXJKBAVLCV-ZDUSSCGKSA-N 1 2 347.463 0.956 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2O)C1 ZINC000991773033 763378836 /nfs/dbraw/zinc/37/88/36/763378836.db2.gz UUDJENHETKMQNY-CHWSQXEVSA-N 1 2 332.404 0.387 20 30 ECEDLO C[C@@H](C(N)=O)[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046927689 763401033 /nfs/dbraw/zinc/40/10/33/763401033.db2.gz LHYKYJHUTDAPGQ-UWVGGRQHSA-N 1 2 339.346 0.447 20 30 ECEDLO C[C@@H](C(N)=O)[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046927689 763401040 /nfs/dbraw/zinc/40/10/40/763401040.db2.gz LHYKYJHUTDAPGQ-UWVGGRQHSA-N 1 2 339.346 0.447 20 30 ECEDLO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001046940887 763427746 /nfs/dbraw/zinc/42/77/46/763427746.db2.gz DJROAEKXUYQYQD-GFCCVEGCSA-N 1 2 334.388 0.128 20 30 ECEDLO C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001046940887 763427748 /nfs/dbraw/zinc/42/77/48/763427748.db2.gz DJROAEKXUYQYQD-GFCCVEGCSA-N 1 2 334.388 0.128 20 30 ECEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1CCNC1=O ZINC001031900371 763460182 /nfs/dbraw/zinc/46/01/82/763460182.db2.gz PNFLDBCZRDEWDB-MRXNPFEDSA-N 1 2 345.830 0.876 20 30 ECEDLO CN1C[C@@H](C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)NC1=O ZINC001031901845 763468107 /nfs/dbraw/zinc/46/81/07/763468107.db2.gz CKFONCMDMXNFBG-HNNXBMFYSA-N 1 2 345.378 0.269 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)CCC2(F)F)cc1 ZINC001046961904 763469644 /nfs/dbraw/zinc/46/96/44/763469644.db2.gz UREBMULXJCIXID-AWEZNQCLSA-N 1 2 335.354 0.840 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)CCC2(F)F)cc1 ZINC001046961904 763469650 /nfs/dbraw/zinc/46/96/50/763469650.db2.gz UREBMULXJCIXID-AWEZNQCLSA-N 1 2 335.354 0.840 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCOC3)C2)CC1 ZINC001051991824 763533724 /nfs/dbraw/zinc/53/37/24/763533724.db2.gz MGQOEBYUBCSNJD-GJZGRUSLSA-N 1 2 327.856 0.994 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cc[nH]n3)C2)CC1 ZINC001052003572 763565080 /nfs/dbraw/zinc/56/50/80/763565080.db2.gz WGZCSVSKPNQQJA-OAHLLOKOSA-N 1 2 337.855 0.923 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3nccn3CC)C2)CC1 ZINC001052020610 763603153 /nfs/dbraw/zinc/60/31/53/763603153.db2.gz ILNUVPRENUUYDE-MRXNPFEDSA-N 1 2 329.448 0.758 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn4c(n3)CCC4)C2)CC1 ZINC001052027730 763622809 /nfs/dbraw/zinc/62/28/09/763622809.db2.gz JFRHPNZCIRBCOV-OAHLLOKOSA-N 1 2 329.448 0.847 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn4c(n3)CCC4)C2)CC1 ZINC001052027992 763623724 /nfs/dbraw/zinc/62/37/24/763623724.db2.gz MICVSLNKGSEALB-CQSZACIVSA-N 1 2 328.420 0.185 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cncc4nc[nH]c43)C2)CC1 ZINC001052029718 763626647 /nfs/dbraw/zinc/62/66/47/763626647.db2.gz AMLGSYCEGQCBJG-ZDUSSCGKSA-N 1 2 339.403 0.314 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c[nH]cc4ncnc3-4)C2)CC1 ZINC001052029718 763626650 /nfs/dbraw/zinc/62/66/50/763626650.db2.gz AMLGSYCEGQCBJG-ZDUSSCGKSA-N 1 2 339.403 0.314 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c[nH]cc4ncnc3-4)C2)CC1 ZINC001052029745 763626690 /nfs/dbraw/zinc/62/66/90/763626690.db2.gz ATXJFVCCCAMTCL-AWEZNQCLSA-N 1 2 338.415 0.423 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cncc4nc[nH]c43)C2)CC1 ZINC001052029745 763626694 /nfs/dbraw/zinc/62/66/94/763626694.db2.gz ATXJFVCCCAMTCL-AWEZNQCLSA-N 1 2 338.415 0.423 20 30 ECEDLO N#Cc1cccnc1NC[C@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001106006244 763627759 /nfs/dbraw/zinc/62/77/59/763627759.db2.gz BJPKRAHPDBWJAO-WFASDCNBSA-N 1 2 340.387 0.301 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)C2)CC1 ZINC001052035112 763640715 /nfs/dbraw/zinc/64/07/15/763640715.db2.gz AHNONSOYPWEWJH-IAGOWNOFSA-N 1 2 346.475 0.097 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)C2)CC1 ZINC001052035114 763640887 /nfs/dbraw/zinc/64/08/87/763640887.db2.gz AHNONSOYPWEWJH-SJORKVTESA-N 1 2 346.475 0.097 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc(C4CC4)o3)C2)CC1 ZINC001052036572 763649549 /nfs/dbraw/zinc/64/95/49/763649549.db2.gz PIUSJPBILHGZBL-CQSZACIVSA-N 1 2 329.404 0.908 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3cn(C)nc3C)C2)CC1 ZINC001052037139 763653626 /nfs/dbraw/zinc/65/36/26/763653626.db2.gz DUXPNBDIFMRXJA-GOSISDBHSA-N 1 2 343.475 0.513 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cncc(COC)c3)C2)CC1 ZINC001052037741 763656393 /nfs/dbraw/zinc/65/63/93/763656393.db2.gz QKWJIVQACNLDPI-SFHVURJKSA-N 1 2 342.443 0.693 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)c3cnc[nH]c3=O)C2)CC1 ZINC001052040564 763662353 /nfs/dbraw/zinc/66/23/53/763662353.db2.gz HEILMKVYZXIAHH-AWEZNQCLSA-N 1 2 331.420 0.590 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@@H]3CCN(C)C3=O)C2)CC1 ZINC001052040756 763663668 /nfs/dbraw/zinc/66/36/68/763663668.db2.gz JPLSQVDQOVREMC-DLBZAZTESA-N 1 2 346.475 0.097 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@]3(CC)CCNC3=O)C2)CC1 ZINC001052041630 763668041 /nfs/dbraw/zinc/66/80/41/763668041.db2.gz NJRAYTVFZRQFBH-LPHOPBHVSA-N 1 2 346.475 0.145 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn(C)c(C)cc3=O)C2)CC1 ZINC001052041627 763668478 /nfs/dbraw/zinc/66/84/78/763668478.db2.gz MZICCCVNJXFVIA-INIZCTEOSA-N 1 2 344.459 0.712 20 30 ECEDLO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cn(C)c(C)cc3=O)C2)CC1 ZINC001052041627 763668482 /nfs/dbraw/zinc/66/84/82/763668482.db2.gz MZICCCVNJXFVIA-INIZCTEOSA-N 1 2 344.459 0.712 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccc(C(N)=O)c3)C2)CC1 ZINC001052044925 763681195 /nfs/dbraw/zinc/68/11/95/763681195.db2.gz NSGHXIKKKICLPT-QGZVFWFLSA-N 1 2 340.427 0.251 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn(C)ccc3=O)C2)CC1 ZINC001052048903 763699248 /nfs/dbraw/zinc/69/92/48/763699248.db2.gz FWBAHJJLSDRBFT-HNNXBMFYSA-N 1 2 330.432 0.403 20 30 ECEDLO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3cn(C)ccc3=O)C2)CC1 ZINC001052048903 763699253 /nfs/dbraw/zinc/69/92/53/763699253.db2.gz FWBAHJJLSDRBFT-HNNXBMFYSA-N 1 2 330.432 0.403 20 30 ECEDLO N#Cc1cnc(NC[C@H](O)CNC(=O)c2cccc3[nH+]ccn32)cn1 ZINC001106017594 763701844 /nfs/dbraw/zinc/70/18/44/763701844.db2.gz MEMDFVZFHXYUSI-LBPRGKRZSA-N 1 2 337.343 0.199 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(OC)n(C)n3)C2)CC1 ZINC001052050555 763707214 /nfs/dbraw/zinc/70/72/14/763707214.db2.gz XNOXJGRIBWSOAR-HNNXBMFYSA-N 1 2 345.447 0.284 20 30 ECEDLO N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)nc1 ZINC001106015470 763716313 /nfs/dbraw/zinc/71/63/13/763716313.db2.gz JGLTVGXTYZHGMV-KGLIPLIRSA-N 1 2 340.387 0.301 20 30 ECEDLO N#Cc1cccnc1NC[C@H](O)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001106016097 763717987 /nfs/dbraw/zinc/71/79/87/763717987.db2.gz NVMWFHOQPLZXER-OCCSQVGLSA-N 1 2 340.387 0.301 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@]34CCC[C@H]3OCC4)C2)CC1 ZINC001052053469 763718996 /nfs/dbraw/zinc/71/89/96/763718996.db2.gz LZMQOWKRQHDDSF-JZXOWHBKSA-N 1 2 332.448 0.688 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3occ4c3CCOC4)C2)CC1 ZINC001052055953 763726277 /nfs/dbraw/zinc/72/62/77/763726277.db2.gz RLMBQIVWSCTRLW-HNNXBMFYSA-N 1 2 344.415 0.708 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(C)nn(C)c3Cl)C2)CC1 ZINC001052060178 763740021 /nfs/dbraw/zinc/74/00/21/763740021.db2.gz YYFOTTDORGMVQP-CQSZACIVSA-N 1 2 349.866 0.847 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c(C)nn(C)c3Cl)C2)CC1 ZINC001052060178 763740028 /nfs/dbraw/zinc/74/00/28/763740028.db2.gz YYFOTTDORGMVQP-CQSZACIVSA-N 1 2 349.866 0.847 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCN(CCO)CC3)C2)cc1 ZINC001052061214 763742546 /nfs/dbraw/zinc/74/25/46/763742546.db2.gz UHQMZEQCABFIIC-SFHVURJKSA-N 1 2 327.428 0.492 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001015045985 763745977 /nfs/dbraw/zinc/74/59/77/763745977.db2.gz XNSPMPFYKCKKQL-HOCLYGCPSA-N 1 2 326.400 0.775 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001015045985 763745979 /nfs/dbraw/zinc/74/59/79/763745979.db2.gz XNSPMPFYKCKKQL-HOCLYGCPSA-N 1 2 326.400 0.775 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(CC(=O)N(C)C)CC2)C1 ZINC001052063112 763747934 /nfs/dbraw/zinc/74/79/34/763747934.db2.gz SMJLVQMYUOKQDT-HNNXBMFYSA-N 1 2 336.480 0.505 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccoc3CC(N)=O)C2)CC1 ZINC001052070288 763768093 /nfs/dbraw/zinc/76/80/93/763768093.db2.gz GKDNGJATWDIXOP-AWEZNQCLSA-N 1 2 346.431 0.326 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)C1 ZINC001015061815 763785559 /nfs/dbraw/zinc/78/55/59/763785559.db2.gz XJODDQJQXBTEBO-NSHDSACASA-N 1 2 336.783 0.876 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)C1 ZINC001015061815 763785561 /nfs/dbraw/zinc/78/55/61/763785561.db2.gz XJODDQJQXBTEBO-NSHDSACASA-N 1 2 336.783 0.876 20 30 ECEDLO C=C(C)CCC(=O)N(C)C[C@@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001124530860 763833953 /nfs/dbraw/zinc/83/39/53/763833953.db2.gz WAAGZKPKPHMMPZ-LBPRGKRZSA-N 1 2 332.408 0.951 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(C)nc3OC)C2)CC1 ZINC001052092869 763834503 /nfs/dbraw/zinc/83/45/03/763834503.db2.gz GURGVFBXFQVNFG-INIZCTEOSA-N 1 2 342.443 0.864 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccn(C(C)C)n3)C2)CC1 ZINC001052094453 763839087 /nfs/dbraw/zinc/83/90/87/763839087.db2.gz SZGKVQHJGKEKRA-MRXNPFEDSA-N 1 2 329.448 0.929 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3csc4cncn43)C2)CC1 ZINC001052094490 763839152 /nfs/dbraw/zinc/83/91/52/763839152.db2.gz UHDBLRGZUWSGHI-CYBMUJFWSA-N 1 2 344.444 0.751 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3CCC(=O)N3)C2)CC1 ZINC001052096065 763845766 /nfs/dbraw/zinc/84/57/66/763845766.db2.gz DPVNLCQBVGJAGD-HOTGVXAUSA-N 1 2 334.464 0.450 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn(CCC)nn3)C2)CC1 ZINC001052102225 763865231 /nfs/dbraw/zinc/86/52/31/763865231.db2.gz CPMBYHBTZAMEBJ-HNNXBMFYSA-N 1 2 330.436 0.153 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cn(CCC)nn3)C2)CC1 ZINC001052102225 763865236 /nfs/dbraw/zinc/86/52/36/763865236.db2.gz CPMBYHBTZAMEBJ-HNNXBMFYSA-N 1 2 330.436 0.153 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c[nH]c(C)cc3=O)C2)CC1 ZINC001052105472 763877153 /nfs/dbraw/zinc/87/71/53/763877153.db2.gz LJFNCZNTNKMTOB-OAHLLOKOSA-N 1 2 328.416 0.149 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnoc3C3CC3)C2)CC1 ZINC001052105947 763878142 /nfs/dbraw/zinc/87/81/42/763878142.db2.gz WKWKHWDKOHXNKP-AWEZNQCLSA-N 1 2 329.404 0.908 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn(C(C)C)c3)C2)CC1 ZINC001052108275 763890341 /nfs/dbraw/zinc/89/03/41/763890341.db2.gz LSUUMZUUJBCIAT-KRWDZBQOSA-N 1 2 329.448 0.929 20 30 ECEDLO 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768266107 /nfs/dbraw/zinc/26/61/07/768266107.db2.gz KRTBJPVVAAYDEW-BETUJISGSA-N 1 2 330.388 0.806 20 30 ECEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CNC(=O)N1 ZINC001015633449 765105822 /nfs/dbraw/zinc/10/58/22/765105822.db2.gz GZSSBVXUMDZZMO-HUUCEWRRSA-N 1 2 330.363 0.049 20 30 ECEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CNC(=O)N1 ZINC001015633449 765105823 /nfs/dbraw/zinc/10/58/23/765105823.db2.gz GZSSBVXUMDZZMO-HUUCEWRRSA-N 1 2 330.363 0.049 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c(F)c1 ZINC001015711904 765213912 /nfs/dbraw/zinc/21/39/12/765213912.db2.gz UCCHYXROMBOLGP-MJBXVCDLSA-N 1 2 330.363 0.509 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c(F)c1 ZINC001015711904 765213916 /nfs/dbraw/zinc/21/39/16/765213916.db2.gz UCCHYXROMBOLGP-MJBXVCDLSA-N 1 2 330.363 0.509 20 30 ECEDLO C#CCOCCC(=O)NC[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001052865501 765250445 /nfs/dbraw/zinc/25/04/45/765250445.db2.gz AGTQAHTWSUKVQJ-GJZGRUSLSA-N 1 2 332.404 0.134 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ncnn3C)CC2)cn1 ZINC001052877744 765283770 /nfs/dbraw/zinc/28/37/70/765283770.db2.gz USRYCOXWRUUNQE-INIZCTEOSA-N 1 2 338.415 0.976 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ncnn3C)CC2)cn1 ZINC001052877744 765283776 /nfs/dbraw/zinc/28/37/76/765283776.db2.gz USRYCOXWRUUNQE-INIZCTEOSA-N 1 2 338.415 0.976 20 30 ECEDLO C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001127338600 768293101 /nfs/dbraw/zinc/29/31/01/768293101.db2.gz GLBGCGJMTLFLFX-CQSZACIVSA-N 1 2 345.447 0.736 20 30 ECEDLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1CNC(=O)CSCC#N ZINC001053033101 765506556 /nfs/dbraw/zinc/50/65/56/765506556.db2.gz MFYIVIFITSEDSN-STQMWFEESA-N 1 2 349.460 0.430 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ccc(OC)o3)C2)C1=O ZINC001015894998 765508540 /nfs/dbraw/zinc/50/85/40/765508540.db2.gz AISURNKCWDDPIM-QWHCGFSZSA-N 1 2 333.388 0.879 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccc(OC)o3)C2)C1=O ZINC001015894998 765508546 /nfs/dbraw/zinc/50/85/46/765508546.db2.gz AISURNKCWDDPIM-QWHCGFSZSA-N 1 2 333.388 0.879 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@H](CNC(=O)C#CC2CC2)C1 ZINC001053108752 765587959 /nfs/dbraw/zinc/58/79/59/765587959.db2.gz JBHZUDJWXGELFI-SWLSCSKDSA-N 1 2 328.416 0.885 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001015969544 765640310 /nfs/dbraw/zinc/64/03/10/765640310.db2.gz WCZMGEFIASNFEW-QWHCGFSZSA-N 1 2 332.404 0.585 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001015969544 765640315 /nfs/dbraw/zinc/64/03/15/765640315.db2.gz WCZMGEFIASNFEW-QWHCGFSZSA-N 1 2 332.404 0.585 20 30 ECEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)nn1 ZINC001106105845 765765687 /nfs/dbraw/zinc/76/56/87/765765687.db2.gz YSHUSICMEYQZLL-NEPJUHHUSA-N 1 2 341.375 0.080 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC(=O)N(CC(C)C)C1)CCO2 ZINC001053279327 765891635 /nfs/dbraw/zinc/89/16/35/765891635.db2.gz JYFHAQBIURZEEQ-MRXNPFEDSA-N 1 2 349.475 0.980 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1CCOC[C@H]1OC)CCO2 ZINC001053284637 765903538 /nfs/dbraw/zinc/90/35/38/765903538.db2.gz CFBLSUDLDQIAQJ-JKSUJKDBSA-N 1 2 338.448 0.917 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016207807 765907938 /nfs/dbraw/zinc/90/79/38/765907938.db2.gz HDOIOEUKVZZXOC-HNNXBMFYSA-N 1 2 340.383 0.398 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016207807 765907947 /nfs/dbraw/zinc/90/79/47/765907947.db2.gz HDOIOEUKVZZXOC-HNNXBMFYSA-N 1 2 340.383 0.398 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cnc3n[nH]nc3c1)CCO2 ZINC001053289142 765916095 /nfs/dbraw/zinc/91/60/95/765916095.db2.gz URVVCEDMZCRYLR-UHFFFAOYSA-N 1 2 328.376 0.456 20 30 ECEDLO C=C(C)CN1CC2(C1)CN(C(=O)[C@@H]1CCc3c[nH+]cn3C1)CCO2 ZINC001053315435 765956272 /nfs/dbraw/zinc/95/62/72/765956272.db2.gz DTGGBZQFPUNYKG-OAHLLOKOSA-N 1 2 330.432 0.935 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC(=O)N[C@@H](CC)C1)CCO2 ZINC001053355898 766022636 /nfs/dbraw/zinc/02/26/36/766022636.db2.gz HNPVDWGDUGUDRN-GJZGRUSLSA-N 1 2 335.448 0.781 20 30 ECEDLO N#CCN1CC2(C1)CN(C(=O)C1([NH+]3CCOCC3)CCCC1)CCO2 ZINC001053453491 766160982 /nfs/dbraw/zinc/16/09/82/766160982.db2.gz CRYLNFZPAUQVBQ-UHFFFAOYSA-N 1 2 348.447 0.068 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cn1c(C)cc(C)nc1=O)CCO2 ZINC001053485895 766220009 /nfs/dbraw/zinc/22/00/09/766220009.db2.gz OUTULZLFYCVBTO-UHFFFAOYSA-N 1 2 346.431 0.349 20 30 ECEDLO C=CC[N@@H+]1CC[C@]2(NC(=O)Cn3[nH]cc4c(=O)ncnc3-4)CCC[C@H]12 ZINC000992313904 766240999 /nfs/dbraw/zinc/24/09/99/766240999.db2.gz BLDGLUVZXGNYPP-SUMWQHHRSA-N 1 2 342.403 0.370 20 30 ECEDLO C=CC[N@H+]1CC[C@]2(NC(=O)Cn3[nH]cc4c(=O)ncnc3-4)CCC[C@H]12 ZINC000992313904 766241003 /nfs/dbraw/zinc/24/10/03/766241003.db2.gz BLDGLUVZXGNYPP-SUMWQHHRSA-N 1 2 342.403 0.370 20 30 ECEDLO CC#CCN1CC2(C1)CN(C(=O)[C@H](c1cccnc1)[NH+](C)C)CCO2 ZINC001053542504 766308580 /nfs/dbraw/zinc/30/85/80/766308580.db2.gz JCEHVAFSQHREPW-KRWDZBQOSA-N 1 2 342.443 0.621 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001045777181 766357581 /nfs/dbraw/zinc/35/75/81/766357581.db2.gz FRQCLTJOYHUWAL-INIZCTEOSA-N 1 2 334.420 0.552 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3cnccn3)C[C@@H]2O)cc1 ZINC001083691295 766361187 /nfs/dbraw/zinc/36/11/87/766361187.db2.gz INBBUECKUZCWGB-VHSSKADRSA-N 1 2 336.395 0.994 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3cnccn3)C[C@@H]2O)cc1 ZINC001083691295 766361192 /nfs/dbraw/zinc/36/11/92/766361192.db2.gz INBBUECKUZCWGB-VHSSKADRSA-N 1 2 336.395 0.994 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccn3nnnc13)O2 ZINC001053604254 766414474 /nfs/dbraw/zinc/41/44/74/766414474.db2.gz AAJHBBCOEFOKSQ-ZDUSSCGKSA-N 1 2 342.403 0.664 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccnc3ccnn31)O2 ZINC001053608993 766425648 /nfs/dbraw/zinc/42/56/48/766425648.db2.gz RIEZIQHGLCXXMW-CYBMUJFWSA-N 1 2 327.388 0.879 20 30 ECEDLO C=CCn1cc(C(=O)N(C)C2CC(NC(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001016523924 766430240 /nfs/dbraw/zinc/43/02/40/766430240.db2.gz WZRARUGYYKSQOI-UHFFFAOYSA-N 1 2 343.391 0.080 20 30 ECEDLO C#Cc1cncc(C(=O)NCC2CC(NC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000992377846 766434265 /nfs/dbraw/zinc/43/42/65/766434265.db2.gz SJXJDFBSRACWAB-UHFFFAOYSA-N 1 2 337.383 0.653 20 30 ECEDLO C=C1CC(C)(C(=O)NC2C[NH+](CCCN3C(=O)NC(C)(C)C3=O)C2)C1 ZINC001030921060 766435940 /nfs/dbraw/zinc/43/59/40/766435940.db2.gz ZKTDBLPLSCZMEO-UHFFFAOYSA-N 1 2 348.447 0.864 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CN(C)C[C@@H](C)O1)O2 ZINC001053618130 766444268 /nfs/dbraw/zinc/44/42/68/766444268.db2.gz QEVDELLOQNMJSZ-BZUAXINKSA-N 1 2 337.464 0.631 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccc3ncnn31)O2 ZINC001053626999 766471507 /nfs/dbraw/zinc/47/15/07/766471507.db2.gz KSUNLZTVSMHNTJ-CYBMUJFWSA-N 1 2 327.388 0.879 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cn(C)c(=O)cn1)O2 ZINC001053629236 766476332 /nfs/dbraw/zinc/47/63/32/766476332.db2.gz JTXOOPFLMAFIES-CYBMUJFWSA-N 1 2 332.404 0.320 20 30 ECEDLO C=CCC(C)(C)C(=O)NC[C@@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001106130835 766509624 /nfs/dbraw/zinc/50/96/24/766509624.db2.gz XWNLDXMUBNAGIG-NSHDSACASA-N 1 2 332.408 0.855 20 30 ECEDLO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c(C)nc[nH]c1=O)O2 ZINC001053649506 766510759 /nfs/dbraw/zinc/51/07/59/766510759.db2.gz NZJLIFWQZWKCNH-CYBMUJFWSA-N 1 2 330.388 0.477 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCCC(=O)N1)O2 ZINC001053662247 766535075 /nfs/dbraw/zinc/53/50/75/766535075.db2.gz HATHAWKEZUGLHZ-GJZGRUSLSA-N 1 2 335.448 0.971 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C)c(C(N)=O)cn1)O2 ZINC001053664331 766537920 /nfs/dbraw/zinc/53/79/20/766537920.db2.gz RCCLNTGSVKLYPV-ZDUSSCGKSA-N 1 2 344.415 0.638 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnc3cccnn31)O2 ZINC001053676993 766560195 /nfs/dbraw/zinc/56/01/95/766560195.db2.gz OJMFCSDEGCDUJS-CYBMUJFWSA-N 1 2 327.388 0.879 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc3ncccn3n1)O2 ZINC001053684865 766582643 /nfs/dbraw/zinc/58/26/43/766582643.db2.gz XMTUKRPOGCWCQD-CYBMUJFWSA-N 1 2 327.388 0.879 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCc3n[nH]nc3C1)O2 ZINC001053686050 766586147 /nfs/dbraw/zinc/58/61/47/766586147.db2.gz FQRKITUKKIRKIT-KBPBESRZSA-N 1 2 345.447 0.835 20 30 ECEDLO Cc1nc(NC[C@@H](O)CNC(=O)C[C@H](C)n2cc[nH+]c2)ccc1C#N ZINC001106132189 766610056 /nfs/dbraw/zinc/61/00/56/766610056.db2.gz VHILGLXSFLJNSF-SWLSCSKDSA-N 1 2 342.403 0.999 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C)[C@@H](O)C1 ZINC001083701615 766662630 /nfs/dbraw/zinc/66/26/30/766662630.db2.gz JMLXTAGQUWKFGC-MPESAESLSA-N 1 2 329.400 0.884 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C)[C@@H](O)C1 ZINC001083701615 766662631 /nfs/dbraw/zinc/66/26/31/766662631.db2.gz JMLXTAGQUWKFGC-MPESAESLSA-N 1 2 329.400 0.884 20 30 ECEDLO CN1C[C@@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)CC1=O ZINC001031711473 766681894 /nfs/dbraw/zinc/68/18/94/766681894.db2.gz GMOQFOXVAJLERL-INIZCTEOSA-N 1 2 326.400 0.585 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@H]3CCCc4n[nH]cc43)CC2)C1 ZINC001046029744 766695656 /nfs/dbraw/zinc/69/56/56/766695656.db2.gz AJRQEJUYIYNGDX-GJZGRUSLSA-N 1 2 342.447 0.572 20 30 ECEDLO COc1cc(C)cnc1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046036937 766729418 /nfs/dbraw/zinc/72/94/18/766729418.db2.gz PRVQHNGWQCXARW-OAHLLOKOSA-N 1 2 343.431 0.754 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3CCn4cncc4C3)CC2)C1 ZINC001046038650 766739040 /nfs/dbraw/zinc/73/90/40/766739040.db2.gz HFFUAOTYQBDMCU-CVEARBPZSA-N 1 2 342.447 0.188 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)c[nH+]1 ZINC001046039570 766743975 /nfs/dbraw/zinc/74/39/75/766743975.db2.gz RJUZLILBCGQPCH-INIZCTEOSA-N 1 2 344.463 0.669 20 30 ECEDLO Cc1cc(C)n(CCC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)n1 ZINC001046049910 766784389 /nfs/dbraw/zinc/78/43/89/766784389.db2.gz ZZUFIMWOYNGOKD-QGZVFWFLSA-N 1 2 344.463 0.632 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3cn(C)nn3)C2)CC1 ZINC001046051896 766793186 /nfs/dbraw/zinc/79/31/86/766793186.db2.gz QXPAHIHMYFJLLK-MRXNPFEDSA-N 1 2 346.479 0.746 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCN([C@@H]2CC[N@H+](Cc3cn(C)nn3)C2)CC1 ZINC001046051896 766793190 /nfs/dbraw/zinc/79/31/90/766793190.db2.gz QXPAHIHMYFJLLK-MRXNPFEDSA-N 1 2 346.479 0.746 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(Cc3cn(C)nn3)C2)CC1 ZINC001046051896 766793196 /nfs/dbraw/zinc/79/31/96/766793196.db2.gz QXPAHIHMYFJLLK-MRXNPFEDSA-N 1 2 346.479 0.746 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)nc1 ZINC000938316697 766816678 /nfs/dbraw/zinc/81/66/78/766816678.db2.gz JHEHGAWATZDBHC-AWEZNQCLSA-N 1 2 337.383 0.370 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cccc4c3OCC4)CC2)C1 ZINC001046067901 766861816 /nfs/dbraw/zinc/86/18/16/766861816.db2.gz XXXFWKCKNIGWBH-INIZCTEOSA-N 1 2 340.427 0.977 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cnc4cccnn34)CC2)C1 ZINC001046070416 766872960 /nfs/dbraw/zinc/87/29/60/766872960.db2.gz NSWYERWVPMLDKQ-AWEZNQCLSA-N 1 2 339.403 0.085 20 30 ECEDLO Cc1c(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)nnn1C(C)C ZINC001046074995 766893735 /nfs/dbraw/zinc/89/37/35/766893735.db2.gz MIDBIGACISVLOR-OAHLLOKOSA-N 1 2 345.451 0.523 20 30 ECEDLO C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046075500 766897098 /nfs/dbraw/zinc/89/70/98/766897098.db2.gz VAELYYJSDUXCLC-RDJZCZTQSA-N 1 2 344.463 0.341 20 30 ECEDLO CCn1cc(CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)cn1 ZINC001046077314 766906096 /nfs/dbraw/zinc/90/60/96/766906096.db2.gz LVFIZFMWEZAJOE-MRXNPFEDSA-N 1 2 330.436 0.188 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc(C)nc1OC)CO2 ZINC001053823895 766945565 /nfs/dbraw/zinc/94/55/65/766945565.db2.gz SSEKMKBVQUTPNB-ZDUSSCGKSA-N 1 2 330.388 0.390 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CC23CC[NH+](Cc2nc(=O)n(C)[nH]2)CC3)C1 ZINC001016811515 766968921 /nfs/dbraw/zinc/96/89/21/766968921.db2.gz DLTNOFAELXSIFV-ZDUSSCGKSA-N 1 2 345.447 0.935 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1cnn3c1CCCC3)CO2 ZINC001053834533 766972998 /nfs/dbraw/zinc/97/29/98/766972998.db2.gz OUKWLAWHUIGOPJ-INIZCTEOSA-N 1 2 342.443 0.745 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)c1 ZINC001083765235 766994824 /nfs/dbraw/zinc/99/48/24/766994824.db2.gz UTDGEVNRWVPZBS-MOPGFXCFSA-N 1 2 346.390 0.910 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)c1 ZINC001083765235 766994832 /nfs/dbraw/zinc/99/48/32/766994832.db2.gz UTDGEVNRWVPZBS-MOPGFXCFSA-N 1 2 346.390 0.910 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cn3c(n1)COCC3)CO2 ZINC001053848227 767010226 /nfs/dbraw/zinc/01/02/26/767010226.db2.gz UURAQYWBRFERFN-ZDUSSCGKSA-N 1 2 330.388 0.010 20 30 ECEDLO CC#CCN1CC2(C1)C[C@@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)CO2 ZINC001053850625 767015807 /nfs/dbraw/zinc/01/58/07/767015807.db2.gz BBYWKFSLNGDOPW-LSDHHAIUSA-N 1 2 328.416 0.428 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1CCC(C(N)=O)CC1)CO2 ZINC001053851123 767018835 /nfs/dbraw/zinc/01/88/35/767018835.db2.gz LEICSDCIATVUSQ-NRXISQOPSA-N 1 2 333.432 0.261 20 30 ECEDLO CC#CCN1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3[nH+]c(C)[nH]c3C1)CO2 ZINC001053851341 767019976 /nfs/dbraw/zinc/01/99/76/767019976.db2.gz QMCCLYMBBCZSMT-GJZGRUSLSA-N 1 2 342.443 0.806 20 30 ECEDLO CC#CCN1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3[nH]c(C)[nH+]c3C1)CO2 ZINC001053851341 767019987 /nfs/dbraw/zinc/01/99/87/767019987.db2.gz QMCCLYMBBCZSMT-GJZGRUSLSA-N 1 2 342.443 0.806 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3n[nH]cc32)[C@H](OC)C1 ZINC001212282403 767130359 /nfs/dbraw/zinc/13/03/59/767130359.db2.gz RUHIKEFEMLSRLD-KBRIMQKVSA-N 1 2 346.431 0.295 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3n[nH]cc32)[C@H](OC)C1 ZINC001212282403 767130360 /nfs/dbraw/zinc/13/03/60/767130360.db2.gz RUHIKEFEMLSRLD-KBRIMQKVSA-N 1 2 346.431 0.295 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)Cc2ccncc2C)[C@H](OC)C1 ZINC001212282585 767132767 /nfs/dbraw/zinc/13/27/67/767132767.db2.gz ZIEOBSJZCXTBKG-IAGOWNOFSA-N 1 2 331.416 0.398 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)Cc2ccncc2C)[C@H](OC)C1 ZINC001212282585 767132768 /nfs/dbraw/zinc/13/27/68/767132768.db2.gz ZIEOBSJZCXTBKG-IAGOWNOFSA-N 1 2 331.416 0.398 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1COCCN1CCCC)CO2 ZINC001053881799 767154341 /nfs/dbraw/zinc/15/43/41/767154341.db2.gz PFBREBNHTHVGBB-DLBZAZTESA-N 1 2 349.475 0.470 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC(C)(C)C=C)[C@H](OC)C1 ZINC001212340886 767267658 /nfs/dbraw/zinc/26/76/58/767267658.db2.gz SLZLWQYHMYPIRC-RRFJBIMHSA-N 1 2 335.448 0.542 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC(C)(C)C=C)[C@H](OC)C1 ZINC001212340886 767267661 /nfs/dbraw/zinc/26/76/61/767267661.db2.gz SLZLWQYHMYPIRC-RRFJBIMHSA-N 1 2 335.448 0.542 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccoc1CC(N)=O)CO2 ZINC001053906167 767319026 /nfs/dbraw/zinc/31/90/26/767319026.db2.gz UAVCLFUUDRZSCH-LBPRGKRZSA-N 1 2 333.388 0.457 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3[nH]c(=O)[nH]c3n1)CO2 ZINC001053906480 767320203 /nfs/dbraw/zinc/32/02/03/767320203.db2.gz AOBHEWFXZSSPBA-LLVKDONJSA-N 1 2 343.387 0.813 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2COC3(C[NH+]([C@H](C)COC)C3)C2)c1 ZINC001053918858 767357252 /nfs/dbraw/zinc/35/72/52/767357252.db2.gz XLHSMQVDQIHFDN-CJNGLKHVSA-N 1 2 329.400 0.671 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C)C1)CO2 ZINC001053949167 767430609 /nfs/dbraw/zinc/43/06/09/767430609.db2.gz ZQMUJEOKXRJXLR-HUUCEWRRSA-N 1 2 333.432 0.228 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2COC3(C[NH+]([C@@H](C)COC)C3)C2)nn1 ZINC001053949637 767433350 /nfs/dbraw/zinc/43/33/50/767433350.db2.gz MEEDBHCHYDMPEY-STQMWFEESA-N 1 2 335.408 0.072 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccn(C)n3)C2)nn1 ZINC001046689800 767486469 /nfs/dbraw/zinc/48/64/69/767486469.db2.gz OSCPFKLCXLFFOF-KRWDZBQOSA-N 1 2 343.435 0.982 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccn(C)n3)C2)nn1 ZINC001046689800 767486476 /nfs/dbraw/zinc/48/64/76/767486476.db2.gz OSCPFKLCXLFFOF-KRWDZBQOSA-N 1 2 343.435 0.982 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001053993621 767549101 /nfs/dbraw/zinc/54/91/01/767549101.db2.gz QCGRPJLZQGXALQ-YOEHRIQHSA-N 1 2 328.412 0.551 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1Cc3cccnc3C1)CO2 ZINC001053995329 767552172 /nfs/dbraw/zinc/55/21/72/767552172.db2.gz WBHUFDZLJDXDMR-JKSUJKDBSA-N 1 2 325.412 0.779 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@H](C[N@H+](C)Cc2nnnn2C2CC2)C1 ZINC001017076430 767555351 /nfs/dbraw/zinc/55/53/51/767555351.db2.gz HCMWMDBHTWCRPI-CHWSQXEVSA-N 1 2 331.424 0.838 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@H](C[N@@H+](C)Cc2nnnn2C2CC2)C1 ZINC001017076430 767555353 /nfs/dbraw/zinc/55/53/53/767555353.db2.gz HCMWMDBHTWCRPI-CHWSQXEVSA-N 1 2 331.424 0.838 20 30 ECEDLO Cn1ncnc1C[N@H+](C)C[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001017109792 767602057 /nfs/dbraw/zinc/60/20/57/767602057.db2.gz POGQGTLOEHYLIH-ZDUSSCGKSA-N 1 2 341.419 0.999 20 30 ECEDLO Cn1ncnc1C[N@@H+](C)C[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001017109792 767602063 /nfs/dbraw/zinc/60/20/63/767602063.db2.gz POGQGTLOEHYLIH-ZDUSSCGKSA-N 1 2 341.419 0.999 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001054044880 767644649 /nfs/dbraw/zinc/64/46/49/767644649.db2.gz GKAKCZIZEFTYBU-WBVHZDCISA-N 1 2 325.412 0.689 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001054044880 767644653 /nfs/dbraw/zinc/64/46/53/767644653.db2.gz GKAKCZIZEFTYBU-WBVHZDCISA-N 1 2 325.412 0.689 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C#CC1CC1)C2 ZINC001054130708 767725939 /nfs/dbraw/zinc/72/59/39/767725939.db2.gz WYJROUDZYAPUHI-KSSFIOAISA-N 1 2 342.447 0.999 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)C#CC1CC1)C2 ZINC001054130708 767725943 /nfs/dbraw/zinc/72/59/43/767725943.db2.gz WYJROUDZYAPUHI-KSSFIOAISA-N 1 2 342.447 0.999 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)NC[C@@H](O)CNc1ncccc1C#N ZINC001106185372 767773415 /nfs/dbraw/zinc/77/34/15/767773415.db2.gz XUCNPROKNYWOTL-CYBMUJFWSA-N 1 2 328.376 0.209 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)c1csc(=O)[nH]1 ZINC001077539952 768397997 /nfs/dbraw/zinc/39/79/97/768397997.db2.gz QNRIBQIDDAFIIU-UKRRQHHQSA-N 1 2 343.408 0.675 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)c1csc(=O)[nH]1 ZINC001077539952 768398002 /nfs/dbraw/zinc/39/80/02/768398002.db2.gz QNRIBQIDDAFIIU-UKRRQHHQSA-N 1 2 343.408 0.675 20 30 ECEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CNC(=O)N2)c1 ZINC001017867939 768491250 /nfs/dbraw/zinc/49/12/50/768491250.db2.gz QVADSIONKLSFCP-XHSDSOJGSA-N 1 2 339.399 0.415 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CNC(=O)N2)c1 ZINC001017867939 768491256 /nfs/dbraw/zinc/49/12/56/768491256.db2.gz QVADSIONKLSFCP-XHSDSOJGSA-N 1 2 339.399 0.415 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N[C@H](C)CCNc1ccnc(C#N)n1 ZINC001106642960 768546916 /nfs/dbraw/zinc/54/69/16/768546916.db2.gz UPNXWPGOBKVHJH-GFCCVEGCSA-N 1 2 340.387 0.723 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001055313733 768770281 /nfs/dbraw/zinc/77/02/81/768770281.db2.gz CQGPXSYHBGDPRI-QWQRMKEZSA-N 1 2 346.431 0.586 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001055313733 768770284 /nfs/dbraw/zinc/77/02/84/768770284.db2.gz CQGPXSYHBGDPRI-QWQRMKEZSA-N 1 2 346.431 0.586 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001055329070 768785990 /nfs/dbraw/zinc/78/59/90/768785990.db2.gz KCPCPNOKPKPPAG-IYBDPMFKSA-N 1 2 328.416 0.849 20 30 ECEDLO CCN(CCNc1nc(C)cc(C#N)n1)C(=O)Cc1c[nH+]cn1C ZINC001106803201 769051291 /nfs/dbraw/zinc/05/12/91/769051291.db2.gz VGGCSBFMDHCUOD-UHFFFAOYSA-N 1 2 327.392 0.893 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2nnc(C)n2C1 ZINC001018299732 769054096 /nfs/dbraw/zinc/05/40/96/769054096.db2.gz RUFYYPXEOWUMMY-OAGGEKHMSA-N 1 2 327.432 0.847 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2nnc(C)n2C1 ZINC001018299732 769054104 /nfs/dbraw/zinc/05/41/04/769054104.db2.gz RUFYYPXEOWUMMY-OAGGEKHMSA-N 1 2 327.432 0.847 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@@H]3CCOC3)C2)CC1 ZINC001018359138 769188432 /nfs/dbraw/zinc/18/84/32/769188432.db2.gz ZOLBGJXUGNVVLX-HZPDHXFCSA-N 1 2 335.448 0.592 20 30 ECEDLO C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001018364377 769205627 /nfs/dbraw/zinc/20/56/27/769205627.db2.gz RRNAIRWZJBBJJJ-DGCLKSJQSA-N 1 2 340.387 0.961 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NCC[NH+]1CCC(NC(=O)c2ncn[nH]2)CC1 ZINC001055636393 769316960 /nfs/dbraw/zinc/31/69/60/769316960.db2.gz SVFICFDSMOCZIO-KRWDZBQOSA-N 1 2 348.451 0.717 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NCC[NH+]1CCC(NC(=O)c2nc[nH]n2)CC1 ZINC001055636393 769316970 /nfs/dbraw/zinc/31/69/70/769316970.db2.gz SVFICFDSMOCZIO-KRWDZBQOSA-N 1 2 348.451 0.717 20 30 ECEDLO CC(C)C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1c[nH+]cn1C ZINC000993601356 769345249 /nfs/dbraw/zinc/34/52/49/769345249.db2.gz GRKJEIJHXVSQDU-HUUCEWRRSA-N 1 2 328.416 0.900 20 30 ECEDLO C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001018441859 769354781 /nfs/dbraw/zinc/35/47/81/769354781.db2.gz QMAXKMMOWFBPKJ-YPMHNXCESA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2nc(CC3CC3)no2)C1 ZINC001078358707 782769756 /nfs/dbraw/zinc/76/97/56/782769756.db2.gz VADMYBSSXYSTQZ-GXTWGEPZSA-N 1 2 347.419 0.889 20 30 ECEDLO CO[C@H](C)c1noc(C[NH2+][C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001018681163 769754053 /nfs/dbraw/zinc/75/40/53/769754053.db2.gz ACGIDCVTACQCQY-PWSUYJOCSA-N 1 2 344.375 0.981 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CCC[N@H+](CC(N)=O)[C@@H]1C ZINC000994207823 770307632 /nfs/dbraw/zinc/30/76/32/770307632.db2.gz TWKXSCWFIYKKQI-OLZOCXBDSA-N 1 2 332.404 0.714 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)[C@@H]1C ZINC000994207823 770307644 /nfs/dbraw/zinc/30/76/44/770307644.db2.gz TWKXSCWFIYKKQI-OLZOCXBDSA-N 1 2 332.404 0.714 20 30 ECEDLO N#Cc1nccc(N2CCN(C(=O)c3cccc4[nH+]ccn43)CC2)n1 ZINC001055955767 770359880 /nfs/dbraw/zinc/35/98/80/770359880.db2.gz SSCIQGAVCNVFET-UHFFFAOYSA-N 1 2 333.355 0.958 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](C)C3CCOCC3)C2)nn1 ZINC001098797255 770402561 /nfs/dbraw/zinc/40/25/61/770402561.db2.gz QKYSHTVNNZOQOZ-PBHICJAKSA-N 1 2 345.447 0.837 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[C@@H](C)Nc1ccnc(C#N)n1 ZINC001089359774 770444239 /nfs/dbraw/zinc/44/42/39/770444239.db2.gz SSJIFZGLDNJQLJ-GHMZBOCLSA-N 1 2 327.392 0.740 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2csnc2OC)C1 ZINC001018985787 770484146 /nfs/dbraw/zinc/48/41/46/770484146.db2.gz FUQMDZLYNHTBCQ-GJZGRUSLSA-N 1 2 348.472 0.940 20 30 ECEDLO C#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001055997640 770498328 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ZINC001056326845 771130063 /nfs/dbraw/zinc/13/00/63/771130063.db2.gz JOAHVORNQJLWOE-LCSDZXHASA-N 1 2 349.398 0.358 20 30 ECEDLO CO[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)C#CC(C)C ZINC001212233753 771153587 /nfs/dbraw/zinc/15/35/87/771153587.db2.gz GYHAOWRMHRIHOZ-IAGOWNOFSA-N 1 2 349.475 0.864 20 30 ECEDLO CO[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)C#CC(C)C ZINC001212233753 771153591 /nfs/dbraw/zinc/15/35/91/771153591.db2.gz GYHAOWRMHRIHOZ-IAGOWNOFSA-N 1 2 349.475 0.864 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H]([NH2+]Cc3nc(N(C)C)no3)C2)c1 ZINC001019357174 771197194 /nfs/dbraw/zinc/19/71/94/771197194.db2.gz YPVKKLQKFWBCRH-AWEZNQCLSA-N 1 2 340.387 0.516 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@@H]2O)C1 ZINC001083758688 771301613 /nfs/dbraw/zinc/30/16/13/771301613.db2.gz OFRKOQROVJAUGW-KFWWJZLASA-N 1 2 335.448 0.513 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@@H]2O)C1 ZINC001083758688 771301618 /nfs/dbraw/zinc/30/16/18/771301618.db2.gz OFRKOQROVJAUGW-KFWWJZLASA-N 1 2 335.448 0.513 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NCC2C[NH+](CC(=O)NC3CCCC3)C2)c1 ZINC001031603729 771399225 /nfs/dbraw/zinc/39/92/25/771399225.db2.gz WHGNVNDWQSVOPR-UHFFFAOYSA-N 1 2 329.404 0.607 20 30 ECEDLO C#CCCCC(=O)N1C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001056636825 771454357 /nfs/dbraw/zinc/45/43/57/771454357.db2.gz GHIWGLPVPRXKLW-GVDBMIGSSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CCCCC(=O)N1C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001056636825 771454360 /nfs/dbraw/zinc/45/43/60/771454360.db2.gz GHIWGLPVPRXKLW-GVDBMIGSSA-N 1 2 347.459 0.570 20 30 ECEDLO N#Cc1ccc(N2CCCO[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)nn1 ZINC001089558300 771481612 /nfs/dbraw/zinc/48/16/12/771481612.db2.gz KXDOELPWYAJLTJ-CQSZACIVSA-N 1 2 341.375 0.026 20 30 ECEDLO CO[C@@H]1C[N@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212245714 771523156 /nfs/dbraw/zinc/52/31/56/771523156.db2.gz ANJYUCHTAJGUJN-USXIJHARSA-N 1 2 347.459 0.474 20 30 ECEDLO CO[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212245714 771523161 /nfs/dbraw/zinc/52/31/61/771523161.db2.gz ANJYUCHTAJGUJN-USXIJHARSA-N 1 2 347.459 0.474 20 30 ECEDLO CO[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212245713 771523347 /nfs/dbraw/zinc/52/33/47/771523347.db2.gz ANJYUCHTAJGUJN-DJIMGWMZSA-N 1 2 347.459 0.474 20 30 ECEDLO CO[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212245713 771523350 /nfs/dbraw/zinc/52/33/50/771523350.db2.gz ANJYUCHTAJGUJN-DJIMGWMZSA-N 1 2 347.459 0.474 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](Nc2nccnc2C#N)C1 ZINC001056781625 771633046 /nfs/dbraw/zinc/63/30/46/771633046.db2.gz DUQUSKNEEWQWPL-JHJVBQTASA-N 1 2 337.387 0.898 20 30 ECEDLO CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001056907181 771792012 /nfs/dbraw/zinc/79/20/12/771792012.db2.gz ZWGMGRZGJBJCKX-CYBMUJFWSA-N 1 2 325.376 0.741 20 30 ECEDLO 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C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C)[nH]n2)[C@H]1C ZINC001020094234 772152001 /nfs/dbraw/zinc/15/20/01/772152001.db2.gz NIHHSHPRZLXUPN-DZKIICNBSA-N 1 2 343.431 0.535 20 30 ECEDLO N#Cc1cncc(N2CCCN(C(=O)CCc3c[nH]c[nH+]3)CC2)n1 ZINC001057249806 772341333 /nfs/dbraw/zinc/34/13/33/772341333.db2.gz FMRORJRBDFZJMT-UHFFFAOYSA-N 1 2 325.376 0.743 20 30 ECEDLO N#Cc1cncc(N2CCCN(C(=O)CCc3c[nH+]c[nH]3)CC2)n1 ZINC001057249806 772341339 /nfs/dbraw/zinc/34/13/39/772341339.db2.gz FMRORJRBDFZJMT-UHFFFAOYSA-N 1 2 325.376 0.743 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2nnc(C)[nH]2)C1 ZINC001020250663 772350687 /nfs/dbraw/zinc/35/06/87/772350687.db2.gz KYIXSCQMONIZFK-NGFQHRJXSA-N 1 2 330.436 0.509 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2nnc(C)[nH]2)C1 ZINC001020250663 772350698 /nfs/dbraw/zinc/35/06/98/772350698.db2.gz KYIXSCQMONIZFK-NGFQHRJXSA-N 1 2 330.436 0.509 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001020372350 772504560 /nfs/dbraw/zinc/50/45/60/772504560.db2.gz GCXUJUUMSWAWFU-JKQORVJESA-N 1 2 346.431 0.970 20 30 ECEDLO N#Cc1cncc(NCC2CCN(C(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001057503043 772691492 /nfs/dbraw/zinc/69/14/92/772691492.db2.gz JXCWJCAPGRGTPV-UHFFFAOYSA-N 1 2 325.376 0.895 20 30 ECEDLO C=CCC(CC=C)C(=O)N(CCO)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001057681548 772907767 /nfs/dbraw/zinc/90/77/67/772907767.db2.gz NHJQMFNPPGBATL-UHFFFAOYSA-N 1 2 334.420 0.658 20 30 ECEDLO C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001057946922 773249827 /nfs/dbraw/zinc/24/98/27/773249827.db2.gz MPECIOAXUZQTNG-OAHLLOKOSA-N 1 2 346.431 0.186 20 30 ECEDLO N#Cc1ccc(N2C[C@@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)nn1 ZINC001040609381 783097049 /nfs/dbraw/zinc/09/70/49/783097049.db2.gz JHPKWRRZRIHSNV-GXTWGEPZSA-N 1 2 337.387 0.741 20 30 ECEDLO C=C1CC(C)(C(=O)NCCN(CCO)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001058160969 773668684 /nfs/dbraw/zinc/66/86/84/773668684.db2.gz SKAUEVFRAKNBNM-UHFFFAOYSA-N 1 2 348.447 0.981 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001040628244 783131765 /nfs/dbraw/zinc/13/17/65/783131765.db2.gz ZAPJDUVORAYQLU-KDOFPFPSSA-N 1 2 348.447 0.645 20 30 ECEDLO C=CCC(CC=C)C(=O)NC[C@@]1(O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001039808605 783132904 /nfs/dbraw/zinc/13/29/04/783132904.db2.gz KBABHYYXBQSINX-SFHVURJKSA-N 1 2 346.431 0.731 20 30 ECEDLO C=C1CC(C)(C(=O)NCCN(CCO)C(=O)CCc2[nH+]ccn2C)C1 ZINC001058353051 774022374 /nfs/dbraw/zinc/02/23/74/774022374.db2.gz SRSISAQGKLYYPJ-UHFFFAOYSA-N 1 2 348.447 0.646 20 30 ECEDLO C=C(C)CCC(=O)NCCN(CCO)C(=O)CCc1c[nH+]cn1C ZINC001058366738 774039583 /nfs/dbraw/zinc/03/95/83/774039583.db2.gz PXMYMTNWCADRSX-UHFFFAOYSA-N 1 2 336.436 0.646 20 30 ECEDLO CCc1nc(C#N)cc(N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001058392967 774091179 /nfs/dbraw/zinc/09/11/79/774091179.db2.gz LPVTYFFKUZHJLR-GFCCVEGCSA-N 1 2 325.376 0.502 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001058466732 774240302 /nfs/dbraw/zinc/24/03/02/774240302.db2.gz UFKVYWWFBZHMDV-AWEZNQCLSA-N 1 2 336.436 0.882 20 30 ECEDLO N#Cc1nccc(N2CC[C@H](NC(=O)[C@H]3CCn4cc[nH+]c4C3)C2)n1 ZINC001058481055 774271727 /nfs/dbraw/zinc/27/17/27/774271727.db2.gz HZKCPJGUPUNHME-STQMWFEESA-N 1 2 337.387 0.502 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001044980378 774795005 /nfs/dbraw/zinc/79/50/05/774795005.db2.gz MIYRZLSVPPPCKP-KBPBESRZSA-N 1 2 348.447 0.500 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001045059899 774913561 /nfs/dbraw/zinc/91/35/61/774913561.db2.gz YFOJITJKRUTHSH-CQSZACIVSA-N 1 2 348.447 0.645 20 30 ECEDLO C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001045068537 774927705 /nfs/dbraw/zinc/92/77/05/774927705.db2.gz GXKREUCCBDJVEU-CQSZACIVSA-N 1 2 348.447 0.645 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C(F)F)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001070023247 790358286 /nfs/dbraw/zinc/35/82/86/790358286.db2.gz INEPYJJMRNPPRG-NEPJUHHUSA-N 1 2 335.318 0.227 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(F)F)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001070023247 790358289 /nfs/dbraw/zinc/35/82/89/790358289.db2.gz INEPYJJMRNPPRG-NEPJUHHUSA-N 1 2 335.318 0.227 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(c2nc(C)ccc2C#N)C[C@@H]1O ZINC001044100392 775697619 /nfs/dbraw/zinc/69/76/19/775697619.db2.gz CSEZNKSIXSUMHO-CABCVRRESA-N 1 2 340.387 0.202 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001044404912 776280360 /nfs/dbraw/zinc/28/03/60/776280360.db2.gz MXBDWGUJSCDAHO-UHFFFAOYSA-N 1 2 348.447 0.645 20 30 ECEDLO C#CCCCCCC(=O)NCC1(O)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001044475057 776335149 /nfs/dbraw/zinc/33/51/49/776335149.db2.gz KFSBCZRGRVGLNI-UHFFFAOYSA-N 1 2 332.404 0.225 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C2(C)CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070054331 790463865 /nfs/dbraw/zinc/46/38/65/790463865.db2.gz ROESWIVEVVCZEZ-CABCVRRESA-N 1 2 331.420 0.460 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C2(C)CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070054331 790463871 /nfs/dbraw/zinc/46/38/71/790463871.db2.gz ROESWIVEVVCZEZ-CABCVRRESA-N 1 2 331.420 0.460 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001079696342 776710085 /nfs/dbraw/zinc/71/00/85/776710085.db2.gz NDEVQBWDYAOXGD-CYBMUJFWSA-N 1 2 334.420 0.993 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(CC)nn2C)[C@@H](n2ccnn2)C1 ZINC001070063151 790484869 /nfs/dbraw/zinc/48/48/69/790484869.db2.gz XMUIGSDDHQOJNY-ZBFHGGJFSA-N 1 2 341.419 0.253 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(CC)nn2C)[C@@H](n2ccnn2)C1 ZINC001070063151 790484874 /nfs/dbraw/zinc/48/48/74/790484874.db2.gz XMUIGSDDHQOJNY-ZBFHGGJFSA-N 1 2 341.419 0.253 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cn(CCC)nn2)[C@@H](n2ccnn2)C1 ZINC001070065860 790492032 /nfs/dbraw/zinc/49/20/32/790492032.db2.gz HSUSGFWLHPAYJZ-OCCSQVGLSA-N 1 2 330.396 0.121 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cn(CCC)nn2)[C@@H](n2ccnn2)C1 ZINC001070065860 790492036 /nfs/dbraw/zinc/49/20/36/790492036.db2.gz HSUSGFWLHPAYJZ-OCCSQVGLSA-N 1 2 330.396 0.121 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3[nH]c(C)nc3c2)[C@@H](n2ccnn2)C1 ZINC001070064441 790487712 /nfs/dbraw/zinc/48/77/12/790487712.db2.gz RUCARAHBQCNLLN-SJORKVTESA-N 1 2 349.398 0.751 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3[nH]c(C)nc3c2)[C@@H](n2ccnn2)C1 ZINC001070064441 790487718 /nfs/dbraw/zinc/48/77/18/790487718.db2.gz RUCARAHBQCNLLN-SJORKVTESA-N 1 2 349.398 0.751 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001079854316 776984119 /nfs/dbraw/zinc/98/41/19/776984119.db2.gz FKOCGMXHMNBUHO-ZIAGYGMSSA-N 1 2 339.461 0.769 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001079854316 776984126 /nfs/dbraw/zinc/98/41/26/776984126.db2.gz FKOCGMXHMNBUHO-ZIAGYGMSSA-N 1 2 339.461 0.769 20 30 ECEDLO CCN(C(=O)CCn1cc[nH+]c1)C1CN(C(=O)CSCC#N)C1 ZINC001080166941 777491159 /nfs/dbraw/zinc/49/11/59/777491159.db2.gz LXNNCGNSIJFDHG-UHFFFAOYSA-N 1 2 335.433 0.589 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(N(C)C)c2)[C@@H](n2ccnn2)C1 ZINC001070083697 790545186 /nfs/dbraw/zinc/54/51/86/790545186.db2.gz MTFBXLXWBQXOAF-SJORKVTESA-N 1 2 338.415 0.633 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(N(C)C)c2)[C@@H](n2ccnn2)C1 ZINC001070083697 790545196 /nfs/dbraw/zinc/54/51/96/790545196.db2.gz MTFBXLXWBQXOAF-SJORKVTESA-N 1 2 338.415 0.633 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)n(C)nc2Cl)[C@@H](n2ccnn2)C1 ZINC001070084531 790548217 /nfs/dbraw/zinc/54/82/17/790548217.db2.gz IBOZBWBFUUQEPD-NEPJUHHUSA-N 1 2 347.810 0.262 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)n(C)nc2Cl)[C@@H](n2ccnn2)C1 ZINC001070084531 790548222 /nfs/dbraw/zinc/54/82/22/790548222.db2.gz IBOZBWBFUUQEPD-NEPJUHHUSA-N 1 2 347.810 0.262 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001080314856 777671057 /nfs/dbraw/zinc/67/10/57/777671057.db2.gz XDVBBQNICIKWLU-YUSALJHKSA-N 1 2 344.253 0.952 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001080314856 777671061 /nfs/dbraw/zinc/67/10/61/777671061.db2.gz XDVBBQNICIKWLU-YUSALJHKSA-N 1 2 344.253 0.952 20 30 ECEDLO CCN(C(=O)Cc1[nH]cc[nH+]1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001080348518 777727488 /nfs/dbraw/zinc/72/74/88/777727488.db2.gz KXCNPJLRNXUIOJ-UHFFFAOYSA-N 1 2 326.360 0.525 20 30 ECEDLO CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001080415631 777819724 /nfs/dbraw/zinc/81/97/24/777819724.db2.gz ANYSPBPQYPLPFZ-IACUBPJLSA-N 1 2 329.404 0.743 20 30 ECEDLO C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001043226395 778005599 /nfs/dbraw/zinc/00/55/99/778005599.db2.gz UNDCBOWHIWCVSP-CYBMUJFWSA-N 1 2 334.420 0.634 20 30 ECEDLO C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001043226395 778005609 /nfs/dbraw/zinc/00/56/09/778005609.db2.gz UNDCBOWHIWCVSP-CYBMUJFWSA-N 1 2 334.420 0.634 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cccn2CC)[C@@H](n2ccnn2)C1 ZINC001070097070 790594536 /nfs/dbraw/zinc/59/45/36/790594536.db2.gz AHRBPXJSBWNAKC-ZBFHGGJFSA-N 1 2 326.404 0.778 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccn2CC)[C@@H](n2ccnn2)C1 ZINC001070097070 790594542 /nfs/dbraw/zinc/59/45/42/790594542.db2.gz AHRBPXJSBWNAKC-ZBFHGGJFSA-N 1 2 326.404 0.778 20 30 ECEDLO CC#CCN1CC(N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001043425358 778306908 /nfs/dbraw/zinc/30/69/08/778306908.db2.gz HHEYXDWGWGRQAL-SJORKVTESA-N 1 2 335.448 0.032 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C2(C)CC(=C)C2)C1 ZINC001043648449 778663837 /nfs/dbraw/zinc/66/38/37/778663837.db2.gz FHFCKTYYVOGTCX-HNNXBMFYSA-N 1 2 345.443 0.130 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C2(C)CC(=C)C2)C1 ZINC001043648449 778663840 /nfs/dbraw/zinc/66/38/40/778663840.db2.gz FHFCKTYYVOGTCX-HNNXBMFYSA-N 1 2 345.443 0.130 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001043699395 778741991 /nfs/dbraw/zinc/74/19/91/778741991.db2.gz OHIYHJCHZNRCJQ-UHFFFAOYSA-N 1 2 334.420 0.565 20 30 ECEDLO N#Cc1cccnc1N1C[C@H]2OCCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC001043806294 778894172 /nfs/dbraw/zinc/89/41/72/778894172.db2.gz XKXCZHMIZNQLAO-LSDHHAIUSA-N 1 2 338.371 0.335 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCC2(CN(C(=O)[C@H](C)C#N)C2)O1 ZINC001068598340 790675979 /nfs/dbraw/zinc/67/59/79/790675979.db2.gz NDRCPXJIJZUSGZ-DGCLKSJQSA-N 1 2 345.403 0.297 20 30 ECEDLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C23CCC3)n1 ZINC001078599207 780199281 /nfs/dbraw/zinc/19/92/81/780199281.db2.gz QEJUKQDLKYOBMM-STQMWFEESA-N 1 2 340.391 0.241 20 30 ECEDLO C[C@@H](C#N)C(=O)NCC1(NC(=O)CCCn2cc[nH+]c2)CCOCC1 ZINC001070158140 790780171 /nfs/dbraw/zinc/78/01/71/790780171.db2.gz YSHZUCZJBYFJHF-AWEZNQCLSA-N 1 2 347.419 0.605 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001079045360 780720427 /nfs/dbraw/zinc/72/04/27/780720427.db2.gz FBQPZEVFTDNRKI-CABCVRRESA-N 1 2 346.431 0.830 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1C[NH+](C[C@@H]2CCc3ncnn32)C1 ZINC001042743599 780729847 /nfs/dbraw/zinc/72/98/47/780729847.db2.gz XAHLOYGRWSNAQW-IMJJTQAJSA-N 1 2 345.447 0.889 20 30 ECEDLO C[C@H](C#N)C(=O)N(C)[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001079061695 780735378 /nfs/dbraw/zinc/73/53/78/780735378.db2.gz JKGRKOKIJYWANT-KGLIPLIRSA-N 1 2 331.420 0.962 20 30 ECEDLO C#CCCCC(=O)NCC1(O)CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001042806339 780856225 /nfs/dbraw/zinc/85/62/25/780856225.db2.gz FGCDCZIHWORWFM-UHFFFAOYSA-N 1 2 332.404 0.156 20 30 ECEDLO CC#CC[NH+]1CCC2(CN(C(=O)Cc3ncn[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079269088 780945564 /nfs/dbraw/zinc/94/55/64/780945564.db2.gz FLQRLJURLBWYDY-LSDHHAIUSA-N 1 2 343.431 0.310 20 30 ECEDLO CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001042862255 780957146 /nfs/dbraw/zinc/95/71/46/780957146.db2.gz ZYWRIXWHYHVDPS-GDBMZVCRSA-N 1 2 340.387 0.249 20 30 ECEDLO CC(C)C#CC(=O)NCC1(O)CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001042937370 781066586 /nfs/dbraw/zinc/06/65/86/781066586.db2.gz FCMLUBIIMZEKDG-UHFFFAOYSA-N 1 2 332.404 0.036 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)c[nH+]1 ZINC001042942738 781076380 /nfs/dbraw/zinc/07/63/80/781076380.db2.gz BTHUZKHAIFNGGG-UHFFFAOYSA-N 1 2 346.431 0.276 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC(C)CC3)C[C@H]2O)C1 ZINC001077640800 781407306 /nfs/dbraw/zinc/40/73/06/781407306.db2.gz PERNNCHSISPFFC-HZPDHXFCSA-N 1 2 349.475 0.763 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC(C)CC3)C[C@H]2O)C1 ZINC001077640800 781407311 /nfs/dbraw/zinc/40/73/11/781407311.db2.gz PERNNCHSISPFFC-HZPDHXFCSA-N 1 2 349.475 0.763 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C(C)(C)C)C3=O)C[C@H]2O)C1 ZINC001077643646 781415701 /nfs/dbraw/zinc/41/57/01/781415701.db2.gz GGVDVAYRIVNSKA-QLFBSQMISA-N 1 2 349.475 0.903 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C(C)(C)C)C3=O)C[C@H]2O)C1 ZINC001077643646 781415707 /nfs/dbraw/zinc/41/57/07/781415707.db2.gz GGVDVAYRIVNSKA-QLFBSQMISA-N 1 2 349.475 0.903 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCC[C@@H]2c2ccccc2)C1 ZINC001077822790 781760995 /nfs/dbraw/zinc/76/09/95/781760995.db2.gz BROBSPIISCVMDH-BRSBDYLESA-N 1 2 328.412 0.744 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCC[C@@H]2c2ccccc2)C1 ZINC001077822790 781761000 /nfs/dbraw/zinc/76/10/00/781761000.db2.gz BROBSPIISCVMDH-BRSBDYLESA-N 1 2 328.412 0.744 20 30 ECEDLO N#Cc1nccc(N[C@@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C23CCC3)n1 ZINC001041621141 781870863 /nfs/dbraw/zinc/87/08/63/781870863.db2.gz QFHFJDOJLLLWTG-OLZOCXBDSA-N 1 2 337.387 0.575 20 30 ECEDLO C=CCC1(C(=O)N2CC[C@](O)(CNC(=O)Cc3[nH]cc[nH+]3)C2)CCC1 ZINC001040693804 783279192 /nfs/dbraw/zinc/27/91/92/783279192.db2.gz DOOOOEJZOJNHRQ-SFHVURJKSA-N 1 2 346.431 0.778 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NC[C@@]1(O)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001040812213 783486764 /nfs/dbraw/zinc/48/67/64/783486764.db2.gz IDBVUBAJGSLOAU-ROUUACIJSA-N 1 2 348.447 0.955 20 30 ECEDLO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@@H]1n1ccnn1 ZINC001070165047 783577822 /nfs/dbraw/zinc/57/78/22/783577822.db2.gz ZJMBCMISULOSOX-OLZOCXBDSA-N 1 2 335.799 0.338 20 30 ECEDLO CC(C)C#CC(=O)NCC1(NC(=O)Cc2c[nH+]cn2C)CCOCC1 ZINC001070172640 783591371 /nfs/dbraw/zinc/59/13/71/783591371.db2.gz INBZWQWGYCMGSN-UHFFFAOYSA-N 1 2 346.431 0.404 20 30 ECEDLO C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001070232288 783706948 /nfs/dbraw/zinc/70/69/48/783706948.db2.gz GIBGDGIFMAPREN-STQMWFEESA-N 1 2 347.419 0.530 20 30 ECEDLO C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCOCC1 ZINC001070232288 783706956 /nfs/dbraw/zinc/70/69/56/783706956.db2.gz GIBGDGIFMAPREN-STQMWFEESA-N 1 2 347.419 0.530 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C(N)=O)c2)[nH]1 ZINC001038170620 783945901 /nfs/dbraw/zinc/94/59/01/783945901.db2.gz UGVIBIBYESRXBD-OAHLLOKOSA-N 1 2 337.383 0.990 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C(N)=O)c2)[nH]1 ZINC001038170620 783945908 /nfs/dbraw/zinc/94/59/08/783945908.db2.gz UGVIBIBYESRXBD-OAHLLOKOSA-N 1 2 337.383 0.990 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)c2nccn2CC)C1=O ZINC001038200873 783989181 /nfs/dbraw/zinc/98/91/81/783989181.db2.gz FKSLGMPSUDBGRY-KGLIPLIRSA-N 1 2 331.420 0.494 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)c2nccn2CC)C1=O ZINC001038200873 783989188 /nfs/dbraw/zinc/98/91/88/783989188.db2.gz FKSLGMPSUDBGRY-KGLIPLIRSA-N 1 2 331.420 0.494 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001038222338 784016490 /nfs/dbraw/zinc/01/64/90/784016490.db2.gz PMSMMWUPWCMNHU-KBPBESRZSA-N 1 2 344.371 0.366 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001038222338 784016496 /nfs/dbraw/zinc/01/64/96/784016496.db2.gz PMSMMWUPWCMNHU-KBPBESRZSA-N 1 2 344.371 0.366 20 30 ECEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2COC(=O)N2)cc1C#N ZINC001038223404 784017984 /nfs/dbraw/zinc/01/79/84/784017984.db2.gz SUMIBTZLIBFWNI-ZIAGYGMSSA-N 1 2 344.371 0.366 20 30 ECEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2COC(=O)N2)cc1C#N ZINC001038223404 784017987 /nfs/dbraw/zinc/01/79/87/784017987.db2.gz SUMIBTZLIBFWNI-ZIAGYGMSSA-N 1 2 344.371 0.366 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1CCCO1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070441260 784081635 /nfs/dbraw/zinc/08/16/35/784081635.db2.gz RSRYWGIKVYBZQG-LSDHHAIUSA-N 1 2 343.431 0.543 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1CCOC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070442198 784084187 /nfs/dbraw/zinc/08/41/87/784084187.db2.gz DZOXGHHEIHPGEU-GJZGRUSLSA-N 1 2 343.431 0.401 20 30 ECEDLO CC#CC[NH+]1CC2(C1)CN(C(=O)[C@@H](CC)OC)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442637 784084958 /nfs/dbraw/zinc/08/49/58/784084958.db2.gz LFUMYJSYUQQNEM-HUUCEWRRSA-N 1 2 345.447 0.789 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@H](CC)OC)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442954 784087530 /nfs/dbraw/zinc/08/75/30/784087530.db2.gz UEMLRTNAPIZUDB-KGLIPLIRSA-N 1 2 331.420 0.399 20 30 ECEDLO CC#CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCOC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442798 784088135 /nfs/dbraw/zinc/08/81/35/784088135.db2.gz PNYCOAWATJEXJE-LSDHHAIUSA-N 1 2 343.431 0.401 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC1(F)F)C[C@@H]2c1nnc(C)[nH]1 ZINC001070443873 784091760 /nfs/dbraw/zinc/09/17/60/784091760.db2.gz BLGHSFNEMSSTKD-VXGBXAGGSA-N 1 2 335.358 0.629 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1cncnc1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070444207 784093435 /nfs/dbraw/zinc/09/34/35/784093435.db2.gz KCRYJHRHNLWZQY-CQSZACIVSA-N 1 2 337.387 0.078 20 30 ECEDLO CC#CC[NH+]1CC2(C1)CN(C(=O)[C@H](O)C(C)C)C[C@H]2c1nnc(C)[nH]1 ZINC001070444945 784096071 /nfs/dbraw/zinc/09/60/71/784096071.db2.gz YELIHLNVHDNICU-LSDHHAIUSA-N 1 2 345.447 0.381 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)CC(C)(C)O)C[C@@H]2c1nnc(C)[nH]1 ZINC001070445593 784096557 /nfs/dbraw/zinc/09/65/57/784096557.db2.gz FZHDFZISHFJHJO-CYBMUJFWSA-N 1 2 331.420 0.135 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@H]1OCC[C@H]1C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070448936 784104854 /nfs/dbraw/zinc/10/48/54/784104854.db2.gz GPHMKOHISYFZFL-YUELXQCFSA-N 1 2 343.431 0.399 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cnco2)C1 ZINC001070916652 784109332 /nfs/dbraw/zinc/10/93/32/784109332.db2.gz SEOBKTNXFNMSBF-SCRDCRAPSA-N 1 2 332.360 0.580 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cnco2)C1 ZINC001070916652 784109342 /nfs/dbraw/zinc/10/93/42/784109342.db2.gz SEOBKTNXFNMSBF-SCRDCRAPSA-N 1 2 332.360 0.580 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)Cc1ccc[nH]1)C[C@H]2c1nnc(C)[nH]1 ZINC001070450986 784112560 /nfs/dbraw/zinc/11/25/60/784112560.db2.gz SEQSFMPHHPNZDG-HNNXBMFYSA-N 1 2 338.415 0.545 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(C)n(C)n2)CC1 ZINC001070945077 784187206 /nfs/dbraw/zinc/18/72/06/784187206.db2.gz WDBCKSXDBXJDPL-UHFFFAOYSA-N 1 2 333.436 0.569 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C)n(C)n2)CC1 ZINC001070945077 784187210 /nfs/dbraw/zinc/18/72/10/784187210.db2.gz WDBCKSXDBXJDPL-UHFFFAOYSA-N 1 2 333.436 0.569 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cnc(C)s2)CC1 ZINC001070947397 784195037 /nfs/dbraw/zinc/19/50/37/784195037.db2.gz USQCIRNUUMUALF-UHFFFAOYSA-N 1 2 334.445 0.739 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cnc(C)s2)CC1 ZINC001070947397 784195039 /nfs/dbraw/zinc/19/50/39/784195039.db2.gz USQCIRNUUMUALF-UHFFFAOYSA-N 1 2 334.445 0.739 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)CO[C@H]2CCOC2)CC1 ZINC001070962136 784238947 /nfs/dbraw/zinc/23/89/47/784238947.db2.gz JURPKOFDLPCVGF-HNNXBMFYSA-N 1 2 339.436 0.019 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)CO[C@H]2CCOC2)CC1 ZINC001070962136 784238953 /nfs/dbraw/zinc/23/89/53/784238953.db2.gz JURPKOFDLPCVGF-HNNXBMFYSA-N 1 2 339.436 0.019 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCn3nccc32)CC1 ZINC001070973786 784283748 /nfs/dbraw/zinc/28/37/48/784283748.db2.gz UPYCPUULZKWLOY-OAHLLOKOSA-N 1 2 345.447 0.597 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCn3nccc32)CC1 ZINC001070973786 784283757 /nfs/dbraw/zinc/28/37/57/784283757.db2.gz UPYCPUULZKWLOY-OAHLLOKOSA-N 1 2 345.447 0.597 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)c2cccn3nccc23)CC1 ZINC001070978001 784298111 /nfs/dbraw/zinc/29/81/11/784298111.db2.gz VGFNOJRZJZYUQZ-UHFFFAOYSA-N 1 2 341.415 0.784 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)c2cccn3nccc23)CC1 ZINC001070978001 784298117 /nfs/dbraw/zinc/29/81/17/784298117.db2.gz VGFNOJRZJZYUQZ-UHFFFAOYSA-N 1 2 341.415 0.784 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCOC[C@H]2C)CC1 ZINC001070996119 784354825 /nfs/dbraw/zinc/35/48/25/784354825.db2.gz IJCXWCGZILOEAK-CVEARBPZSA-N 1 2 337.464 0.886 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCOC[C@H]2C)CC1 ZINC001070996119 784354831 /nfs/dbraw/zinc/35/48/31/784354831.db2.gz IJCXWCGZILOEAK-CVEARBPZSA-N 1 2 337.464 0.886 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H](NC(=O)CSCC#N)C1 ZINC001071014849 784418135 /nfs/dbraw/zinc/41/81/35/784418135.db2.gz HRPRJRWIVXEIJH-GFCCVEGCSA-N 1 2 335.433 0.327 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2csc(C)n2)CC1 ZINC001071019612 784435703 /nfs/dbraw/zinc/43/57/03/784435703.db2.gz VYZBGHMEGJJNCG-UHFFFAOYSA-N 1 2 336.461 0.831 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2csc(C)n2)CC1 ZINC001071019612 784435708 /nfs/dbraw/zinc/43/57/08/784435708.db2.gz VYZBGHMEGJJNCG-UHFFFAOYSA-N 1 2 336.461 0.831 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)c2c(C)cc(=O)[nH]c2C)CC1 ZINC001071023308 784449339 /nfs/dbraw/zinc/44/93/39/784449339.db2.gz ZEXZOSKDEDFTOZ-UHFFFAOYSA-N 1 2 346.431 0.854 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)c2c(C)cc(=O)[nH]c2C)CC1 ZINC001071023308 784449342 /nfs/dbraw/zinc/44/93/42/784449342.db2.gz ZEXZOSKDEDFTOZ-UHFFFAOYSA-N 1 2 346.431 0.854 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ccc(F)nc2)C[C@H]1NCC#N ZINC001070629223 784460420 /nfs/dbraw/zinc/46/04/20/784460420.db2.gz FPXYPUFMHPHROC-CHWSQXEVSA-N 1 2 328.351 0.676 20 30 ECEDLO N#Cc1cc(C(=O)N2CCC[C@@H](NC(=O)CCc3[nH]cc[nH+]3)C2)c[nH]1 ZINC001070633634 784468220 /nfs/dbraw/zinc/46/82/20/784468220.db2.gz QLISYJCZNULJKQ-CYBMUJFWSA-N 1 2 340.387 0.963 20 30 ECEDLO N#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001071061019 784499589 /nfs/dbraw/zinc/49/95/89/784499589.db2.gz JPNYMNVPUOUCMD-WBVHZDCISA-N 1 2 331.420 0.852 20 30 ECEDLO N#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001071061019 784499593 /nfs/dbraw/zinc/49/95/93/784499593.db2.gz JPNYMNVPUOUCMD-WBVHZDCISA-N 1 2 331.420 0.852 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2c(F)cncc2F)C[C@H]1NCC#N ZINC001070653219 784502110 /nfs/dbraw/zinc/50/21/10/784502110.db2.gz DULTUPJIRORPFS-ZWNOBZJWSA-N 1 2 346.341 0.815 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cnc(Cl)n2C)C[C@H]1NCC#N ZINC001070668434 784526162 /nfs/dbraw/zinc/52/61/62/784526162.db2.gz UTZQWHQXMNCULV-GHMZBOCLSA-N 1 2 347.810 0.528 20 30 ECEDLO Cc1cc(CC(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)n(C)n1 ZINC001070669267 784526597 /nfs/dbraw/zinc/52/65/97/784526597.db2.gz HHPHIPIWGASXMT-HUUCEWRRSA-N 1 2 341.419 0.112 20 30 ECEDLO Cc1noc(CCC(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)n1 ZINC001070674382 784533779 /nfs/dbraw/zinc/53/37/79/784533779.db2.gz KWPICCITSBCFEZ-CHWSQXEVSA-N 1 2 343.391 0.152 20 30 ECEDLO COCc1cc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)no1 ZINC001070697950 784565750 /nfs/dbraw/zinc/56/57/50/784565750.db2.gz ZRTLBJWFFNSANU-TZMCWYRMSA-N 1 2 344.375 0.276 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)COc2cccnc2)C[C@H]1NCC#N ZINC001070703806 784570440 /nfs/dbraw/zinc/57/04/40/784570440.db2.gz NLBAVZZWRZEQGO-HUUCEWRRSA-N 1 2 340.387 0.302 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1cnnn1)C[C@@H](C)O2 ZINC001071134637 784579300 /nfs/dbraw/zinc/57/93/00/784579300.db2.gz VJULEGZVJIOZTQ-OCCSQVGLSA-N 1 2 340.815 0.117 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1cnnn1)C[C@@H](C)O2 ZINC001071134637 784579303 /nfs/dbraw/zinc/57/93/03/784579303.db2.gz VJULEGZVJIOZTQ-OCCSQVGLSA-N 1 2 340.815 0.117 20 30 ECEDLO Cc1ccc(CC(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)cn1 ZINC001070717895 784591845 /nfs/dbraw/zinc/59/18/45/784591845.db2.gz ASXXYFDMOJAHII-HZPDHXFCSA-N 1 2 338.415 0.774 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)c1ncn(C)n1)C[C@@H](C)O2 ZINC001071164225 784636491 /nfs/dbraw/zinc/63/64/91/784636491.db2.gz JEGMZXHVPPTVIZ-DOMZBBRYSA-N 1 2 339.827 0.873 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ncn(C)n1)C[C@@H](C)O2 ZINC001071164225 784636494 /nfs/dbraw/zinc/63/64/94/784636494.db2.gz JEGMZXHVPPTVIZ-DOMZBBRYSA-N 1 2 339.827 0.873 20 30 ECEDLO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1c[nH]cc3ncnc1-3)C[C@H](C)O2 ZINC001071170962 784651552 /nfs/dbraw/zinc/65/15/52/784651552.db2.gz FMKVBFJLLNGYHS-SCLBCKFNSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c[nH]cc3ncnc1-3)C[C@H](C)O2 ZINC001071170962 784651554 /nfs/dbraw/zinc/65/15/54/784651554.db2.gz FMKVBFJLLNGYHS-SCLBCKFNSA-N 1 2 339.399 0.897 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1nccn1)C[C@H](C)O2 ZINC001071174418 784661376 /nfs/dbraw/zinc/66/13/76/784661376.db2.gz XPAYZVPILOQORU-ZFWWWQNUSA-N 1 2 339.827 0.722 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1nccn1)C[C@H](C)O2 ZINC001071174418 784661381 /nfs/dbraw/zinc/66/13/81/784661381.db2.gz XPAYZVPILOQORU-ZFWWWQNUSA-N 1 2 339.827 0.722 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn[nH]n1)C[C@H](C)O2 ZINC001071183975 784685131 /nfs/dbraw/zinc/68/51/31/784685131.db2.gz WELKLTNMFSUFTG-SMDDNHRTSA-N 1 2 325.800 0.863 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn[nH]n1)C[C@H](C)O2 ZINC001071183975 784685136 /nfs/dbraw/zinc/68/51/36/784685136.db2.gz WELKLTNMFSUFTG-SMDDNHRTSA-N 1 2 325.800 0.863 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3ccncc3)C2)C(=O)C1 ZINC001071250726 784836416 /nfs/dbraw/zinc/83/64/16/784836416.db2.gz SMJRSADZMDIHTF-KRWDZBQOSA-N 1 2 340.427 0.854 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3ccncc3)C2)C(=O)C1 ZINC001071250726 784836423 /nfs/dbraw/zinc/83/64/23/784836423.db2.gz SMJRSADZMDIHTF-KRWDZBQOSA-N 1 2 340.427 0.854 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)Cc3ccon3)C2)C(=O)C1 ZINC001071259115 784868247 /nfs/dbraw/zinc/86/82/47/784868247.db2.gz YRHAAGTYGLNTSC-INIZCTEOSA-N 1 2 344.415 0.376 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)Cc3ccon3)C2)C(=O)C1 ZINC001071259115 784868254 /nfs/dbraw/zinc/86/82/54/784868254.db2.gz YRHAAGTYGLNTSC-INIZCTEOSA-N 1 2 344.415 0.376 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3conc3C)C2)C(=O)C1 ZINC001071272102 784905214 /nfs/dbraw/zinc/90/52/14/784905214.db2.gz GIEBQYOWGRUKRB-HNNXBMFYSA-N 1 2 344.415 0.755 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3conc3C)C2)C(=O)C1 ZINC001071272102 784905220 /nfs/dbraw/zinc/90/52/20/784905220.db2.gz GIEBQYOWGRUKRB-HNNXBMFYSA-N 1 2 344.415 0.755 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3n[nH]cc3F)C2)C(=O)C1 ZINC001071272428 784906330 /nfs/dbraw/zinc/90/63/30/784906330.db2.gz OQPRVEAFGXQHAG-CYBMUJFWSA-N 1 2 347.394 0.321 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3n[nH]cc3F)C2)C(=O)C1 ZINC001071272428 784906333 /nfs/dbraw/zinc/90/63/33/784906333.db2.gz OQPRVEAFGXQHAG-CYBMUJFWSA-N 1 2 347.394 0.321 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCC[C@H](N3CC[N@H+](CCCO)CC3=O)C2)C1 ZINC001071273683 784909790 /nfs/dbraw/zinc/90/97/90/784909790.db2.gz DDGIZXNDNSYSRC-INIZCTEOSA-N 1 2 349.475 0.860 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCC[C@H](N3CC[N@@H+](CCCO)CC3=O)C2)C1 ZINC001071273683 784909796 /nfs/dbraw/zinc/90/97/96/784909796.db2.gz DDGIZXNDNSYSRC-INIZCTEOSA-N 1 2 349.475 0.860 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC[C@H](N3CC[N@@H+](CC)CC3=O)C2)c1 ZINC001071273983 784911084 /nfs/dbraw/zinc/91/10/84/784911084.db2.gz MNTKENUDYNELRU-KRWDZBQOSA-N 1 2 340.427 0.832 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC[C@H](N3CC[N@H+](CC)CC3=O)C2)c1 ZINC001071273983 784911088 /nfs/dbraw/zinc/91/10/88/784911088.db2.gz MNTKENUDYNELRU-KRWDZBQOSA-N 1 2 340.427 0.832 20 30 ECEDLO C=CCCC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001068751112 791068451 /nfs/dbraw/zinc/06/84/51/791068451.db2.gz LDUXGAKMWLQIGA-MGPQQGTHSA-N 1 2 344.415 0.966 20 30 ECEDLO C=CCCC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001068751112 791068462 /nfs/dbraw/zinc/06/84/62/791068462.db2.gz LDUXGAKMWLQIGA-MGPQQGTHSA-N 1 2 344.415 0.966 20 30 ECEDLO C=CCOCC(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001071805405 785131663 /nfs/dbraw/zinc/13/16/63/785131663.db2.gz NVNPUNWPDBAOCB-UKRRQHHQSA-N 1 2 347.415 0.798 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(=O)NC3CC3)C2)nn1 ZINC001071879269 785262102 /nfs/dbraw/zinc/26/21/02/785262102.db2.gz AXSJVKRIBACONW-OCCSQVGLSA-N 1 2 346.435 0.325 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(=O)NC3CC3)C2)nn1 ZINC001071879269 785262108 /nfs/dbraw/zinc/26/21/08/785262108.db2.gz AXSJVKRIBACONW-OCCSQVGLSA-N 1 2 346.435 0.325 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001071659144 785466094 /nfs/dbraw/zinc/46/60/94/785466094.db2.gz SSDCYGWKBZVXQU-OLZOCXBDSA-N 1 2 335.433 0.493 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CC[C@H]1C ZINC001071987666 785482004 /nfs/dbraw/zinc/48/20/04/785482004.db2.gz FFFGSSDMDZHKNW-NEPJUHHUSA-N 1 2 342.827 0.602 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CC[C@H]1C ZINC001071987666 785482006 /nfs/dbraw/zinc/48/20/06/785482006.db2.gz FFFGSSDMDZHKNW-NEPJUHHUSA-N 1 2 342.827 0.602 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001072005962 785515240 /nfs/dbraw/zinc/51/52/40/785515240.db2.gz QNBNFLYHZOBTDI-QWHCGFSZSA-N 1 2 330.388 0.162 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001072005962 785515246 /nfs/dbraw/zinc/51/52/46/785515246.db2.gz QNBNFLYHZOBTDI-QWHCGFSZSA-N 1 2 330.388 0.162 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=O)NC)C1 ZINC001072006364 785515317 /nfs/dbraw/zinc/51/53/17/785515317.db2.gz SFEGDLKGICZQLO-KGLIPLIRSA-N 1 2 344.415 0.422 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=O)NC)C1 ZINC001072006364 785515324 /nfs/dbraw/zinc/51/53/24/785515324.db2.gz SFEGDLKGICZQLO-KGLIPLIRSA-N 1 2 344.415 0.422 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001072509412 786300211 /nfs/dbraw/zinc/30/02/11/786300211.db2.gz APDYRPGCGQXEGE-UONOGXRCSA-N 1 2 334.420 0.518 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1NC(=O)C#CC1CC1 ZINC001072515696 786314064 /nfs/dbraw/zinc/31/40/64/786314064.db2.gz KFVUNNWHUWIOHW-BBRMVZONSA-N 1 2 328.416 0.729 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3cnn(C)c3C)C[C@@H]21 ZINC001074258985 786533300 /nfs/dbraw/zinc/53/33/00/786533300.db2.gz GDCNQVAKEDWHAN-IRXDYDNUSA-N 1 2 330.432 0.596 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3cnn(C)c3C)C[C@@H]21 ZINC001074258985 786533304 /nfs/dbraw/zinc/53/33/04/786533304.db2.gz GDCNQVAKEDWHAN-IRXDYDNUSA-N 1 2 330.432 0.596 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnn4c3CCC4)C[C@@H]21 ZINC001074259383 786535117 /nfs/dbraw/zinc/53/51/17/786535117.db2.gz MFIBMPWOWWFPPD-DLBZAZTESA-N 1 2 328.416 0.768 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnn4c3CCC4)C[C@@H]21 ZINC001074259383 786535120 /nfs/dbraw/zinc/53/51/20/786535120.db2.gz MFIBMPWOWWFPPD-DLBZAZTESA-N 1 2 328.416 0.768 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3ccn(C)n3)C[C@H]21 ZINC001074260096 786535881 /nfs/dbraw/zinc/53/58/81/786535881.db2.gz SUVITEUGHARNRE-IAGOWNOFSA-N 1 2 330.432 0.678 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3ccn(C)n3)C[C@H]21 ZINC001074260096 786535886 /nfs/dbraw/zinc/53/58/86/786535886.db2.gz SUVITEUGHARNRE-IAGOWNOFSA-N 1 2 330.432 0.678 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnc4n[nH]cc4c3)C[C@H]21 ZINC001074276465 786569564 /nfs/dbraw/zinc/56/95/64/786569564.db2.gz NLBPYDRBUCHEMG-HZPDHXFCSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnc4n[nH]cc4c3)C[C@H]21 ZINC001074276465 786569566 /nfs/dbraw/zinc/56/95/66/786569566.db2.gz NLBPYDRBUCHEMG-HZPDHXFCSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCCN1CCO[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]21 ZINC001074282063 786583511 /nfs/dbraw/zinc/58/35/11/786583511.db2.gz LJOAMVCFCIORIN-DLBZAZTESA-N 1 2 346.431 0.675 20 30 ECEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)o3)C[C@H]21 ZINC001074294708 786616976 /nfs/dbraw/zinc/61/69/76/786616976.db2.gz RMDUTKLLNRXNSR-CHWSQXEVSA-N 1 2 333.388 0.870 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)o3)C[C@H]21 ZINC001074294708 786616980 /nfs/dbraw/zinc/61/69/80/786616980.db2.gz RMDUTKLLNRXNSR-CHWSQXEVSA-N 1 2 333.388 0.870 20 30 ECEDLO Cn1nncc1C[N@@H+]1CCCO[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001073566858 786627320 /nfs/dbraw/zinc/62/73/20/786627320.db2.gz VYNYKJZKHIYERA-CQSZACIVSA-N 1 2 343.391 0.036 20 30 ECEDLO Cn1nncc1C[N@H+]1CCCO[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001073566858 786627324 /nfs/dbraw/zinc/62/73/24/786627324.db2.gz VYNYKJZKHIYERA-CQSZACIVSA-N 1 2 343.391 0.036 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCc3nc(C)no3)C[C@@H]21 ZINC001074309403 786646271 /nfs/dbraw/zinc/64/62/71/786646271.db2.gz DICLQWQISUENGO-GJZGRUSLSA-N 1 2 332.404 0.636 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCc3nc(C)no3)C[C@@H]21 ZINC001074309403 786646277 /nfs/dbraw/zinc/64/62/77/786646277.db2.gz DICLQWQISUENGO-GJZGRUSLSA-N 1 2 332.404 0.636 20 30 ECEDLO Cn1ccc(C[N@@H+]2CCCO[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001073573791 786652178 /nfs/dbraw/zinc/65/21/78/786652178.db2.gz CIGKRBIEHTWGSP-HNNXBMFYSA-N 1 2 342.403 0.641 20 30 ECEDLO Cn1ccc(C[N@H+]2CCCO[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001073573791 786652186 /nfs/dbraw/zinc/65/21/86/786652186.db2.gz CIGKRBIEHTWGSP-HNNXBMFYSA-N 1 2 342.403 0.641 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2COCCN2C)C1 ZINC001073578629 786665926 /nfs/dbraw/zinc/66/59/26/786665926.db2.gz RPSVYIGYMLVUCB-KGLIPLIRSA-N 1 2 331.844 0.277 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2COCCN2C)C1 ZINC001073578629 786665938 /nfs/dbraw/zinc/66/59/38/786665938.db2.gz RPSVYIGYMLVUCB-KGLIPLIRSA-N 1 2 331.844 0.277 20 30 ECEDLO C=CCCCC(=O)N1CC(N2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001073580316 786674709 /nfs/dbraw/zinc/67/47/09/786674709.db2.gz XGMAQCAITKNUTA-UHFFFAOYSA-N 1 2 345.447 0.594 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3ccc(C)cc3=O)C[C@H]21 ZINC001074351903 786734663 /nfs/dbraw/zinc/73/46/63/786734663.db2.gz VVEGVSMLVSQXEX-IAGOWNOFSA-N 1 2 343.427 0.482 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3ccc(C)cc3=O)C[C@H]21 ZINC001074351903 786734667 /nfs/dbraw/zinc/73/46/67/786734667.db2.gz VVEGVSMLVSQXEX-IAGOWNOFSA-N 1 2 343.427 0.482 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@@H]21 ZINC001074364532 786765130 /nfs/dbraw/zinc/76/51/30/786765130.db2.gz ZBNPSOCIWYAJFE-UONOGXRCSA-N 1 2 342.403 0.616 20 30 ECEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@@H]21 ZINC001074364532 786765134 /nfs/dbraw/zinc/76/51/34/786765134.db2.gz ZBNPSOCIWYAJFE-UONOGXRCSA-N 1 2 342.403 0.616 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@@H]21 ZINC001074369123 786776751 /nfs/dbraw/zinc/77/67/51/786776751.db2.gz QMBVHEMKODFHRR-GJZGRUSLSA-N 1 2 330.388 0.052 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@@H]21 ZINC001074369123 786776753 /nfs/dbraw/zinc/77/67/53/786776753.db2.gz QMBVHEMKODFHRR-GJZGRUSLSA-N 1 2 330.388 0.052 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnc(OC)nc3)C[C@H]21 ZINC001074376784 786796646 /nfs/dbraw/zinc/79/66/46/786796646.db2.gz AGTGMSSKWSASPP-CABCVRRESA-N 1 2 330.388 0.424 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnc(OC)nc3)C[C@H]21 ZINC001074376784 786796654 /nfs/dbraw/zinc/79/66/54/786796654.db2.gz AGTGMSSKWSASPP-CABCVRRESA-N 1 2 330.388 0.424 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001073629363 786809094 /nfs/dbraw/zinc/80/90/94/786809094.db2.gz AGMBUFFZOJSXGW-CHWSQXEVSA-N 1 2 329.828 0.424 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001073629363 786809099 /nfs/dbraw/zinc/80/90/99/786809099.db2.gz AGMBUFFZOJSXGW-CHWSQXEVSA-N 1 2 329.828 0.424 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnn4cc[nH]c34)C[C@@H]21 ZINC001074390937 786831549 /nfs/dbraw/zinc/83/15/49/786831549.db2.gz UYVISIQUEZYDQN-GJZGRUSLSA-N 1 2 327.388 0.601 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnn4cc[nH]c34)C[C@@H]21 ZINC001074390937 786831558 /nfs/dbraw/zinc/83/15/58/786831558.db2.gz UYVISIQUEZYDQN-GJZGRUSLSA-N 1 2 327.388 0.601 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CN3CCCCCC3=O)C[C@H]21 ZINC001074397321 786849681 /nfs/dbraw/zinc/84/96/81/786849681.db2.gz GMIVKDQIRMCPDH-IAGOWNOFSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CN3CCCCCC3=O)C[C@H]21 ZINC001074397321 786849691 /nfs/dbraw/zinc/84/96/91/786849691.db2.gz GMIVKDQIRMCPDH-IAGOWNOFSA-N 1 2 347.459 0.714 20 30 ECEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 ZINC001074402989 786867837 /nfs/dbraw/zinc/86/78/37/786867837.db2.gz ORCBULRLHZAITH-QWHCGFSZSA-N 1 2 345.403 0.067 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 ZINC001074402989 786867850 /nfs/dbraw/zinc/86/78/50/786867850.db2.gz ORCBULRLHZAITH-QWHCGFSZSA-N 1 2 345.403 0.067 20 30 ECEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@H]21 ZINC001074402988 786868092 /nfs/dbraw/zinc/86/80/92/786868092.db2.gz ORCBULRLHZAITH-OLZOCXBDSA-N 1 2 345.403 0.067 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@H]21 ZINC001074402988 786868097 /nfs/dbraw/zinc/86/80/97/786868097.db2.gz ORCBULRLHZAITH-OLZOCXBDSA-N 1 2 345.403 0.067 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)CC2CC2)CC1 ZINC001074411211 786899353 /nfs/dbraw/zinc/89/93/53/786899353.db2.gz KTOAADMUBZYBMY-INIZCTEOSA-N 1 2 347.459 0.354 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)CC2CC2)CC1 ZINC001074411211 786899366 /nfs/dbraw/zinc/89/93/66/786899366.db2.gz KTOAADMUBZYBMY-INIZCTEOSA-N 1 2 347.459 0.354 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H]1CN(CC#N)CCCO1)C2 ZINC001073670699 786924560 /nfs/dbraw/zinc/92/45/60/786924560.db2.gz LXRAHDIPSQFIFD-UONOGXRCSA-N 1 2 331.420 0.554 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H]1CN(CC#N)CCCO1)CC2 ZINC001073670699 786924572 /nfs/dbraw/zinc/92/45/72/786924572.db2.gz LXRAHDIPSQFIFD-UONOGXRCSA-N 1 2 331.420 0.554 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)CCC)CC1 ZINC001074427363 786947499 /nfs/dbraw/zinc/94/74/99/786947499.db2.gz OGMJHHNRBMHSHI-HNNXBMFYSA-N 1 2 335.448 0.354 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)CCC)CC1 ZINC001074427363 786947502 /nfs/dbraw/zinc/94/75/02/786947502.db2.gz OGMJHHNRBMHSHI-HNNXBMFYSA-N 1 2 335.448 0.354 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](NC(=O)CSCC#N)[C@@H](C)C1 ZINC001073744862 787107453 /nfs/dbraw/zinc/10/74/53/787107453.db2.gz RIWCCVVVLJNGJH-WCQYABFASA-N 1 2 349.460 0.871 20 30 ECEDLO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc(CN3CCCC3)on2)C1 ZINC001073766439 787160945 /nfs/dbraw/zinc/16/09/45/787160945.db2.gz FYMMJRBLECJRCV-MRXNPFEDSA-N 1 2 346.431 0.724 20 30 ECEDLO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(CN3CCCC3)on2)C1 ZINC001073766439 787160950 /nfs/dbraw/zinc/16/09/50/787160950.db2.gz FYMMJRBLECJRCV-MRXNPFEDSA-N 1 2 346.431 0.724 20 30 ECEDLO C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCS(=O)(=O)C2)C1 ZINC001073796516 787219915 /nfs/dbraw/zinc/21/99/15/787219915.db2.gz NWZNGKFQDJOSGR-UONOGXRCSA-N 1 2 330.450 0.204 20 30 ECEDLO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCS(=O)(=O)C2)C1 ZINC001073796516 787219920 /nfs/dbraw/zinc/21/99/20/787219920.db2.gz NWZNGKFQDJOSGR-UONOGXRCSA-N 1 2 330.450 0.204 20 30 ECEDLO C#CCOc1ccc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)CCCO2)cc1 ZINC001073801605 787229349 /nfs/dbraw/zinc/22/93/49/787229349.db2.gz PNHAUKBKAXXQDQ-INIZCTEOSA-N 1 2 345.399 0.005 20 30 ECEDLO C#CCOc1ccc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)CCCO2)cc1 ZINC001073801605 787229353 /nfs/dbraw/zinc/22/93/53/787229353.db2.gz PNHAUKBKAXXQDQ-INIZCTEOSA-N 1 2 345.399 0.005 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCCO[C@@H](CNC(=O)c3ncn[nH]3)C2)cc1 ZINC001073825512 787282361 /nfs/dbraw/zinc/28/23/61/787282361.db2.gz ODDUXKZZUXWZAR-HNNXBMFYSA-N 1 2 340.387 0.697 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCCO[C@@H](CNC(=O)c3ncn[nH]3)C2)cc1 ZINC001073825512 787282367 /nfs/dbraw/zinc/28/23/67/787282367.db2.gz ODDUXKZZUXWZAR-HNNXBMFYSA-N 1 2 340.387 0.697 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCCO[C@@H](CNC(=O)c3nc[nH]n3)C2)cc1 ZINC001073825512 787282370 /nfs/dbraw/zinc/28/23/70/787282370.db2.gz ODDUXKZZUXWZAR-HNNXBMFYSA-N 1 2 340.387 0.697 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCCO[C@@H](CNC(=O)c3nc[nH]n3)C2)cc1 ZINC001073825512 787282378 /nfs/dbraw/zinc/28/23/78/787282378.db2.gz ODDUXKZZUXWZAR-HNNXBMFYSA-N 1 2 340.387 0.697 20 30 ECEDLO C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001074600057 787368677 /nfs/dbraw/zinc/36/86/77/787368677.db2.gz WPPCMFCHUDDYON-STQMWFEESA-N 1 2 347.419 0.218 20 30 ECEDLO C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001074600057 787368684 /nfs/dbraw/zinc/36/86/84/787368684.db2.gz WPPCMFCHUDDYON-STQMWFEESA-N 1 2 347.419 0.218 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001073920643 787526262 /nfs/dbraw/zinc/52/62/62/787526262.db2.gz CJGGFXUXFSDOOT-UONOGXRCSA-N 1 2 334.420 0.898 20 30 ECEDLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1NC(=O)C#CC1CC1 ZINC001073949909 787569309 /nfs/dbraw/zinc/56/93/09/787569309.db2.gz XOUZIFYKWJTNTP-BBRMVZONSA-N 1 2 328.416 0.729 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC(O)(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001074680162 787577003 /nfs/dbraw/zinc/57/70/03/787577003.db2.gz OUQWLDULRFEVSA-KGLIPLIRSA-N 1 2 348.447 0.880 20 30 ECEDLO C=CCCOCC(=O)N[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001074029109 787722877 /nfs/dbraw/zinc/72/28/77/787722877.db2.gz AJJRVJRJRVZLPH-ZIAGYGMSSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCCOCC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001074034029 787730634 /nfs/dbraw/zinc/73/06/34/787730634.db2.gz UJPXOYOBTMEVDY-CABCVRRESA-N 1 2 334.420 0.829 20 30 ECEDLO C=CCCCC(=O)NCC1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001074758600 787771495 /nfs/dbraw/zinc/77/14/95/787771495.db2.gz DDTCLUKFNWPDBE-UHFFFAOYSA-N 1 2 334.420 0.778 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001074108018 787892909 /nfs/dbraw/zinc/89/29/09/787892909.db2.gz YNQLFQQZAUUMRG-ZBFHGGJFSA-N 1 2 348.447 0.909 20 30 ECEDLO C[C@H](c1nncn1C)[N@@H+]1CCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001072644777 788493579 /nfs/dbraw/zinc/49/35/79/788493579.db2.gz OCKPITGVVWKKAU-GFCCVEGCSA-N 1 2 339.403 0.924 20 30 ECEDLO C[C@H](c1nncn1C)[N@H+]1CCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001072644777 788493583 /nfs/dbraw/zinc/49/35/83/788493583.db2.gz OCKPITGVVWKKAU-GFCCVEGCSA-N 1 2 339.403 0.924 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H](C)C1 ZINC001074891574 788498718 /nfs/dbraw/zinc/49/87/18/788498718.db2.gz IRGAVKSKIKITFX-GJZGRUSLSA-N 1 2 334.420 0.972 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001074892231 788500669 /nfs/dbraw/zinc/50/06/69/788500669.db2.gz PXOWPHSMESHBEF-TZMCWYRMSA-N 1 2 334.420 0.959 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)CSCC#N ZINC001075046638 788793797 /nfs/dbraw/zinc/79/37/97/788793797.db2.gz XEHVSGWJBLUSEY-STQMWFEESA-N 1 2 335.433 0.636 20 30 ECEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC001072935866 789135630 /nfs/dbraw/zinc/13/56/30/789135630.db2.gz GHWWKIJUHAZJEJ-UHFFFAOYSA-N 1 2 342.237 0.695 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)C3(C(N)=O)CC3)C2)C1 ZINC001072935866 789135632 /nfs/dbraw/zinc/13/56/32/789135632.db2.gz GHWWKIJUHAZJEJ-UHFFFAOYSA-N 1 2 342.237 0.695 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CCC(C)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001073024931 789294359 /nfs/dbraw/zinc/29/43/59/789294359.db2.gz CGOLBSACIIQSPX-AWEZNQCLSA-N 1 2 332.404 0.419 20 30 ECEDLO N#CCN[C@@H]1CCO[C@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001075394627 789321078 /nfs/dbraw/zinc/32/10/78/789321078.db2.gz DXIJGSHGJHNQLY-ZBFHGGJFSA-N 1 2 331.420 0.852 20 30 ECEDLO N#Cc1cncc(N2CC[C@]3(NC(=O)Cn4cc[nH+]c4)CCC[C@H]23)n1 ZINC001069268716 789720553 /nfs/dbraw/zinc/72/05/53/789720553.db2.gz JVBBXOPPRZQIRW-WMLDXEAASA-N 1 2 337.387 0.863 20 30 ECEDLO N#Cc1cnc(N2CC[C@@]3(NC(=O)Cc4c[nH]c[nH+]4)CCC[C@H]23)cn1 ZINC001069291599 789736055 /nfs/dbraw/zinc/73/60/55/789736055.db2.gz OQXHJGDEZUZCNG-YOEHRIQHSA-N 1 2 337.387 0.932 20 30 ECEDLO N#CCN1CCn2ncc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)c2C1 ZINC001069863611 790118399 /nfs/dbraw/zinc/11/83/99/790118399.db2.gz BAFQPHHWMJHVAM-CHWSQXEVSA-N 1 2 325.376 0.365 20 30 ECEDLO N#CCN1CCn2ncc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)c2C1 ZINC001069863611 790118402 /nfs/dbraw/zinc/11/84/02/790118402.db2.gz BAFQPHHWMJHVAM-CHWSQXEVSA-N 1 2 325.376 0.365 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3cc4n(n3)CCO4)c2C1 ZINC001069863588 790118620 /nfs/dbraw/zinc/11/86/20/790118620.db2.gz ZZMLIAURMAPXIA-UHFFFAOYSA-N 1 2 342.403 0.794 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3cc4n(n3)CCO4)c2C1 ZINC001069863588 790118625 /nfs/dbraw/zinc/11/86/25/790118625.db2.gz ZZMLIAURMAPXIA-UHFFFAOYSA-N 1 2 342.403 0.794 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3ccc(=O)n(C)c3)c2C1 ZINC001069865432 790122113 /nfs/dbraw/zinc/12/21/13/790122113.db2.gz GOLQLTRHMNKZJF-UHFFFAOYSA-N 1 2 341.415 0.904 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3ccc(=O)n(C)c3)c2C1 ZINC001069865432 790122117 /nfs/dbraw/zinc/12/21/17/790122117.db2.gz GOLQLTRHMNKZJF-UHFFFAOYSA-N 1 2 341.415 0.904 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CCN(C(C)=O)C3)c2C1 ZINC001069881580 790146959 /nfs/dbraw/zinc/14/69/59/790146959.db2.gz MFJPJZWJZXSUKI-OAHLLOKOSA-N 1 2 345.447 0.759 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CCN(C(C)=O)C3)c2C1 ZINC001069881580 790146963 /nfs/dbraw/zinc/14/69/63/790146963.db2.gz MFJPJZWJZXSUKI-OAHLLOKOSA-N 1 2 345.447 0.759 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CCCC(=O)N3C)c2C1 ZINC001069882262 790147351 /nfs/dbraw/zinc/14/73/51/790147351.db2.gz YFFZZLRLUBODFG-OAHLLOKOSA-N 1 2 345.447 0.902 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CCCC(=O)N3C)c2C1 ZINC001069882262 790147355 /nfs/dbraw/zinc/14/73/55/790147355.db2.gz YFFZZLRLUBODFG-OAHLLOKOSA-N 1 2 345.447 0.902 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C(F)F)[C@@H](n3ccnn3)C2)cc1 ZINC001069888033 790156704 /nfs/dbraw/zinc/15/67/04/790156704.db2.gz CUVWGYGGHBDMIT-KGLIPLIRSA-N 1 2 346.341 0.957 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C(F)F)[C@@H](n3ccnn3)C2)cc1 ZINC001069888033 790156707 /nfs/dbraw/zinc/15/67/07/790156707.db2.gz CUVWGYGGHBDMIT-KGLIPLIRSA-N 1 2 346.341 0.957 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)n2cccn2)[C@@H](n2ccnn2)C1 ZINC001069898914 790167012 /nfs/dbraw/zinc/16/70/12/790167012.db2.gz FBEPACMIDSORGX-ZNMIVQPWSA-N 1 2 327.392 0.101 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)n2cccn2)[C@@H](n2ccnn2)C1 ZINC001069898914 790167015 /nfs/dbraw/zinc/16/70/15/790167015.db2.gz FBEPACMIDSORGX-ZNMIVQPWSA-N 1 2 327.392 0.101 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2oc(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001069905595 790175295 /nfs/dbraw/zinc/17/52/95/790175295.db2.gz FZQMIWGNXBGQKL-KGLIPLIRSA-N 1 2 328.376 0.562 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2oc(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001069905595 790175298 /nfs/dbraw/zinc/17/52/98/790175298.db2.gz FZQMIWGNXBGQKL-KGLIPLIRSA-N 1 2 328.376 0.562 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2C=C)[C@@H](n2ccnn2)C1 ZINC001069929979 790202673 /nfs/dbraw/zinc/20/26/73/790202673.db2.gz WTXCTSVPMYPMOC-WCVJEAGWSA-N 1 2 329.404 0.234 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2C=C)[C@@H](n2ccnn2)C1 ZINC001069929979 790202677 /nfs/dbraw/zinc/20/26/77/790202677.db2.gz WTXCTSVPMYPMOC-WCVJEAGWSA-N 1 2 329.404 0.234 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC#CC)C[C@@H]1n1ccnn1 ZINC001069930018 790202891 /nfs/dbraw/zinc/20/28/91/790202891.db2.gz YCYZWUFPGZJIHG-NCOADZHNSA-N 1 2 343.431 0.624 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC#CC)C[C@@H]1n1ccnn1 ZINC001069930018 790202897 /nfs/dbraw/zinc/20/28/97/790202897.db2.gz YCYZWUFPGZJIHG-NCOADZHNSA-N 1 2 343.431 0.624 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc3n(n2)CCC3)[C@@H](n2ccnn2)C1 ZINC001069943330 790220412 /nfs/dbraw/zinc/22/04/12/790220412.db2.gz MZEVPWRNZUXDCW-CVEARBPZSA-N 1 2 339.403 0.099 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc3n(n2)CCC3)[C@@H](n2ccnn2)C1 ZINC001069943330 790220414 /nfs/dbraw/zinc/22/04/14/790220414.db2.gz MZEVPWRNZUXDCW-CVEARBPZSA-N 1 2 339.403 0.099 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(N(C)C)nc2)[C@@H](n2ccnn2)C1 ZINC001069966093 790253004 /nfs/dbraw/zinc/25/30/04/790253004.db2.gz VRSUFYXGIZHWFU-CABCVRRESA-N 1 2 339.403 0.028 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(N(C)C)nc2)[C@@H](n2ccnn2)C1 ZINC001069966093 790253009 /nfs/dbraw/zinc/25/30/09/790253009.db2.gz VRSUFYXGIZHWFU-CABCVRRESA-N 1 2 339.403 0.028 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cncc3[nH]ccc32)[C@@H](n2ccnn2)C1 ZINC001069969419 790257800 /nfs/dbraw/zinc/25/78/00/790257800.db2.gz UNZJHPZULDWRLQ-CVEARBPZSA-N 1 2 335.371 0.443 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cncc3[nH]ccc32)[C@@H](n2ccnn2)C1 ZINC001069969419 790257804 /nfs/dbraw/zinc/25/78/04/790257804.db2.gz UNZJHPZULDWRLQ-CVEARBPZSA-N 1 2 335.371 0.443 20 30 ECEDLO O=C(CCc1c[nH]c[nH+]1)N[C@@H]1COC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001068906352 791388786 /nfs/dbraw/zinc/38/87/86/791388786.db2.gz UGAZPPKBQUAHBN-HNNXBMFYSA-N 1 2 342.399 0.242 20 30 ECEDLO O=C(CCc1c[nH+]c[nH]1)N[C@@H]1COC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001068906352 791388792 /nfs/dbraw/zinc/38/87/92/791388792.db2.gz UGAZPPKBQUAHBN-HNNXBMFYSA-N 1 2 342.399 0.242 20 30 ECEDLO CC#CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)Cn1cc[nH+]c1)CO2 ZINC001068914751 791408190 /nfs/dbraw/zinc/40/81/90/791408190.db2.gz FBXYRHLOUUNKSW-OAHLLOKOSA-N 1 2 344.415 0.563 20 30 ECEDLO CC(C)C#CC(=O)N1CC2(C1)C[C@H](NC(=O)Cn1cc[nH+]c1)CO2 ZINC001068916972 791413589 /nfs/dbraw/zinc/41/35/89/791413589.db2.gz WHQQSVJXLLWLHA-AWEZNQCLSA-N 1 2 330.388 0.029 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC2(C1)C[C@@H](NC(=O)CCn1cc[nH+]c1)CO2 ZINC001068936705 791459161 /nfs/dbraw/zinc/45/91/61/791459161.db2.gz IQFPTDOWAVPLCA-CQSZACIVSA-N 1 2 346.431 0.972 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1COC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001068943422 791475628 /nfs/dbraw/zinc/47/56/28/791475628.db2.gz IXFJOAXRTGMZRU-AWEZNQCLSA-N 1 2 346.431 0.972 20 30 ECEDLO C=CC(C)(C)C(=O)N[C@H]1COC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001068947277 791483306 /nfs/dbraw/zinc/48/33/06/791483306.db2.gz DIZQRSMZMXJFTJ-CYBMUJFWSA-N 1 2 346.431 0.959 20 30 ECEDLO C=CCCCC(=O)N[C@@H]1COC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001068994429 791562531 /nfs/dbraw/zinc/56/25/31/791562531.db2.gz HELRXESKVXDHSQ-ZDUSSCGKSA-N 1 2 332.404 0.795 20 30 ECEDLO C[C@H]1C[C@H](Nc2ccnc(C#N)n2)CN1C(=O)CCc1c[nH+]cn1C ZINC001069129701 791727950 /nfs/dbraw/zinc/72/79/50/791727950.db2.gz KQJRLEROMMWENP-STQMWFEESA-N 1 2 339.403 0.538 20 30 ECEDLO CCC(=O)N1CC[C@@H]([NH+]2CCN(c3nc(C)cc(C#N)n3)CC2)C1 ZINC001066694167 792009046 /nfs/dbraw/zinc/00/90/46/792009046.db2.gz VBNTUMUSVKMVER-OAHLLOKOSA-N 1 2 328.420 0.790 20 30 ECEDLO Cc1nccc(N2CC[NH+]([C@@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)n1 ZINC001066699137 792021585 /nfs/dbraw/zinc/02/15/85/792021585.db2.gz SADNLZOQBPBYJG-UKRRQHHQSA-N 1 2 328.420 0.668 20 30 ECEDLO CC[C@@H](F)C(=O)N1CC[C@H]([NH+]2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001066701102 792028296 /nfs/dbraw/zinc/02/82/96/792028296.db2.gz PMSWUMGEGXYECD-LSDHHAIUSA-N 1 2 346.410 0.819 20 30 ECEDLO CC[C@H](F)C(=O)N1CC[C@@H]([NH+]2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001066701099 792028904 /nfs/dbraw/zinc/02/89/04/792028904.db2.gz PMSWUMGEGXYECD-CABCVRRESA-N 1 2 346.410 0.819 20 30 ECEDLO C[C@H]1C[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001066701447 792029454 /nfs/dbraw/zinc/02/94/54/792029454.db2.gz XSHMIPTYELCEBP-IMJJTQAJSA-N 1 2 340.431 0.727 20 30 ECEDLO C[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH+]2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001066703286 792033445 /nfs/dbraw/zinc/03/34/45/792033445.db2.gz XSHMIPTYELCEBP-FVQBIDKESA-N 1 2 340.431 0.727 20 30 ECEDLO N#Cc1nccnc1N1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001066758378 792115464 /nfs/dbraw/zinc/11/54/64/792115464.db2.gz HDECYAZIXNUFAB-GFCCVEGCSA-N 1 2 325.376 0.789 20 30 ECEDLO C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001067704926 792159483 /nfs/dbraw/zinc/15/94/83/792159483.db2.gz RGYNBRRRXLFUJY-KGLIPLIRSA-N 1 2 331.420 0.912 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1)c1ccc(C#N)cn1 ZINC001067748845 792221101 /nfs/dbraw/zinc/22/11/01/792221101.db2.gz GWXVGZJWUOYZKX-CVEARBPZSA-N 1 2 343.431 0.711 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccc(C#N)cn1 ZINC001067748845 792221107 /nfs/dbraw/zinc/22/11/07/792221107.db2.gz GWXVGZJWUOYZKX-CVEARBPZSA-N 1 2 343.431 0.711 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C)c1nccnc1C#N ZINC001067768453 792256618 /nfs/dbraw/zinc/25/66/18/792256618.db2.gz XKQSSTGIXCKRPF-CYBMUJFWSA-N 1 2 339.403 0.752 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1)c1ccc(C#N)nn1 ZINC001067771670 792260934 /nfs/dbraw/zinc/26/09/34/792260934.db2.gz DYWPXTJGVVMGKV-ZDUSSCGKSA-N 1 2 325.376 0.741 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1)c1ccc(C#N)nn1 ZINC001067802899 792306951 /nfs/dbraw/zinc/30/69/51/792306951.db2.gz OUYDYXZUZWRZNT-CQSZACIVSA-N 1 2 325.376 0.741 20 30 ECEDLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CCC(Nc2ccnc(C#N)n2)CC1 ZINC001067915621 792460086 /nfs/dbraw/zinc/46/00/86/792460086.db2.gz IYCWHHKATQDGLT-UHFFFAOYSA-N 1 2 339.403 0.917 20 30 ECEDLO C[C@H]1CCN(c2cncc(C#N)n2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067962520 792511385 /nfs/dbraw/zinc/51/13/85/792511385.db2.gz BOJZZUODIBALFU-SWLSCSKDSA-N 1 2 339.403 0.655 20 30 ECEDLO C[C@@H]1CCN(c2nccnc2C#N)C[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067993002 792554964 /nfs/dbraw/zinc/55/49/64/792554964.db2.gz GETBCXSVCUBRBG-RISCZKNCSA-N 1 2 325.376 0.645 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(c2nccnc2C#N)CC1(C)C ZINC001068115043 792696496 /nfs/dbraw/zinc/69/64/96/792696496.db2.gz BGKQRBRYCRGYIS-CQSZACIVSA-N 1 2 339.403 0.655 20 30 ECEDLO CN(CCCN(C)C(=O)c1cc(C#N)c[nH]1)C(=O)Cc1c[nH+]cn1C ZINC001067113654 792710279 /nfs/dbraw/zinc/71/02/79/792710279.db2.gz MIJRUSOOPSKTGV-UHFFFAOYSA-N 1 2 342.403 0.783 20 30 ECEDLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1Nc1ccc(C#N)nn1 ZINC001067173881 792775112 /nfs/dbraw/zinc/77/51/12/792775112.db2.gz BMCQWRDDHMUHDC-GXTWGEPZSA-N 1 2 325.376 0.894 20 30 ECEDLO C[C@H](Nc1ccncc1C#N)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001068236465 792896174 /nfs/dbraw/zinc/89/61/74/792896174.db2.gz IQIQYIDECRBGMG-SWLSCSKDSA-N 1 2 340.387 0.369 20 30 ECEDLO C[C@H]1C[C@H](CNc2ccc(C#N)nn2)CN1C(=O)Cc1c[nH+]cn1C ZINC001068336603 793072150 /nfs/dbraw/zinc/07/21/50/793072150.db2.gz BRNYPHLKEHVBMF-QWHCGFSZSA-N 1 2 339.403 0.973 20 30 ECEDLO C[C@@H]1C[C@@H](CNc2ccnc(C#N)n2)CN1C(=O)Cc1c[nH+]cn1C ZINC001068339482 793078713 /nfs/dbraw/zinc/07/87/13/793078713.db2.gz XOLCDRNRYJBLAC-OLZOCXBDSA-N 1 2 339.403 0.395 20 30 ECEDLO C[C@@H]1CN(c2cnc(C#N)cn2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067406284 793109146 /nfs/dbraw/zinc/10/91/46/793109146.db2.gz VFGXSMKFNRMPRS-IUODEOHRSA-N 1 2 339.403 0.655 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C[C@H]1C ZINC001067407691 793112007 /nfs/dbraw/zinc/11/20/07/793112007.db2.gz KBJDXYVWJNYFNI-BXUZGUMPSA-N 1 2 339.403 0.954 20 30 ECEDLO C#CCOCCC(=O)N(C)CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001067425548 793137339 /nfs/dbraw/zinc/13/73/39/793137339.db2.gz WWBBCCOQQZOGFR-UHFFFAOYSA-N 1 2 334.420 0.607 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067439723 793161788 /nfs/dbraw/zinc/16/17/88/793161788.db2.gz FTTRHXMXDIMPKM-WCQYABFASA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@H]1CN(c2cnc(C#N)cn2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067441234 793164751 /nfs/dbraw/zinc/16/47/51/793164751.db2.gz WSLJXBPCBUQAQU-FZMZJTMJSA-N 1 2 325.376 0.645 20 30 ECEDLO C=C(C)CCC(=O)N1CCOC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001068403741 793230316 /nfs/dbraw/zinc/23/03/16/793230316.db2.gz VGCBRLTXHLALRD-UHFFFAOYSA-N 1 2 346.431 0.759 20 30 ECEDLO C=CCCC(=O)N1CC2(C1)CN(C(=O)CCn1cc[nH+]c1)CCO2 ZINC001068417637 793273240 /nfs/dbraw/zinc/27/32/40/793273240.db2.gz JNAFFSKOIAFMJY-UHFFFAOYSA-N 1 2 332.404 0.679 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CCOC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001068435652 793310430 /nfs/dbraw/zinc/31/04/30/793310430.db2.gz WCZPCDMMNSGHRA-CQSZACIVSA-N 1 2 346.431 0.994 20 30 ECEDLO CC[C@H](C)[C@H](NC(C)=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#CCOC ZINC001267436621 837414277 /nfs/dbraw/zinc/41/42/77/837414277.db2.gz LFPLBDAYICQZTQ-OWLYRPNTSA-N 1 2 349.475 0.862 20 30 ECEDLO CC[C@H](C)[C@H](NC(C)=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#CCOC ZINC001267436621 837414286 /nfs/dbraw/zinc/41/42/86/837414286.db2.gz LFPLBDAYICQZTQ-OWLYRPNTSA-N 1 2 349.475 0.862 20 30 ECEDLO CCCN(C(=O)c1cnccn1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267443208 837425121 /nfs/dbraw/zinc/42/51/21/837425121.db2.gz MZUQTRHDHAAJPF-CYBMUJFWSA-N 1 2 330.392 0.043 20 30 ECEDLO CCCN(C(=O)c1cnccn1)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267443208 837425128 /nfs/dbraw/zinc/42/51/28/837425128.db2.gz MZUQTRHDHAAJPF-CYBMUJFWSA-N 1 2 330.392 0.043 20 30 ECEDLO CCCN(C(=O)CCc1cn[nH]c1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267487208 837548825 /nfs/dbraw/zinc/54/88/25/837548825.db2.gz BMZUSNYWOSQXEU-HNNXBMFYSA-N 1 2 346.435 0.295 20 30 ECEDLO CCCN(C(=O)CCc1cn[nH]c1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267487208 837548829 /nfs/dbraw/zinc/54/88/29/837548829.db2.gz BMZUSNYWOSQXEU-HNNXBMFYSA-N 1 2 346.435 0.295 20 30 ECEDLO CCCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267541237 837726044 /nfs/dbraw/zinc/72/60/44/837726044.db2.gz XZOPIKPROFURSZ-OAHLLOKOSA-N 1 2 342.403 0.453 20 30 ECEDLO CCCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267541237 837726047 /nfs/dbraw/zinc/72/60/47/837726047.db2.gz XZOPIKPROFURSZ-OAHLLOKOSA-N 1 2 342.403 0.453 20 30 ECEDLO C=CCN1CC[NH+](CCN(C)C(=O)Cc2nnn(C(C)(C)C)n2)CC1 ZINC001267572662 837810461 /nfs/dbraw/zinc/81/04/61/837810461.db2.gz SIKHOVAZKRSPEG-UHFFFAOYSA-N 1 2 349.483 0.233 20 30 ECEDLO COc1ccccc1CC(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001267576249 837829043 /nfs/dbraw/zinc/82/90/43/837829043.db2.gz UXQVLTHTYVMVJA-UHFFFAOYSA-N 1 2 330.432 0.837 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2cc(C(C)C)nn2C)C1 ZINC001266246489 835552137 /nfs/dbraw/zinc/55/21/37/835552137.db2.gz QPQCZMKLJCPNNE-AWEZNQCLSA-N 1 2 345.447 0.487 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2cc(C(C)C)nn2C)C1 ZINC001266246489 835552141 /nfs/dbraw/zinc/55/21/41/835552141.db2.gz QPQCZMKLJCPNNE-AWEZNQCLSA-N 1 2 345.447 0.487 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC001266248590 835553909 /nfs/dbraw/zinc/55/39/09/835553909.db2.gz OWEWESJPGXADLD-GFCCVEGCSA-N 1 2 340.387 0.397 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC001266248590 835553914 /nfs/dbraw/zinc/55/39/14/835553914.db2.gz OWEWESJPGXADLD-GFCCVEGCSA-N 1 2 340.387 0.397 20 30 ECEDLO CCc1c(C(=O)NCC[NH+]2CCN(CC#N)CC2)cnn1CC(C)C ZINC001266285592 835620123 /nfs/dbraw/zinc/62/01/23/835620123.db2.gz FNEDGUGBYPUKND-UHFFFAOYSA-N 1 2 346.479 0.972 20 30 ECEDLO Cc1cc(C)n([C@@H](C)CC(=O)NCC[NH+]2CCN(CC#N)CC2)n1 ZINC001266297713 835648464 /nfs/dbraw/zinc/64/84/64/835648464.db2.gz UDRIAOBENMCHPF-INIZCTEOSA-N 1 2 332.452 0.708 20 30 ECEDLO C#CCNC(=O)CN1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001266320070 835689906 /nfs/dbraw/zinc/68/99/06/835689906.db2.gz YALBNJKJFJAFTG-HNNXBMFYSA-N 1 2 339.399 0.196 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCNS(C)(=O)=O)C2)cc1 ZINC001266333894 835716971 /nfs/dbraw/zinc/71/69/71/835716971.db2.gz VUPZTMNHDCTGBE-HNNXBMFYSA-N 1 2 335.429 0.021 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCNS(C)(=O)=O)C2)cc1 ZINC001266333894 835716974 /nfs/dbraw/zinc/71/69/74/835716974.db2.gz VUPZTMNHDCTGBE-HNNXBMFYSA-N 1 2 335.429 0.021 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)Cc1c[nH]c2cccc(C)c12 ZINC001266349908 835745094 /nfs/dbraw/zinc/74/50/94/835745094.db2.gz CDWDIIIQBNGLQK-UHFFFAOYSA-N 1 2 340.427 0.816 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)Cc1c[nH]c2cccc(C)c12 ZINC001266349908 835745104 /nfs/dbraw/zinc/74/51/04/835745104.db2.gz CDWDIIIQBNGLQK-UHFFFAOYSA-N 1 2 340.427 0.816 20 30 ECEDLO C[N@H+](CCNC(=O)c1cc(F)c(F)c(F)c1F)CC(=O)NCC#N ZINC001266352152 835751654 /nfs/dbraw/zinc/75/16/54/835751654.db2.gz OMORUEYSRRPDBA-UHFFFAOYSA-N 1 2 346.284 0.544 20 30 ECEDLO C[N@@H+](CCNC(=O)c1cc(F)c(F)c(F)c1F)CC(=O)NCC#N ZINC001266352152 835751659 /nfs/dbraw/zinc/75/16/59/835751659.db2.gz OMORUEYSRRPDBA-UHFFFAOYSA-N 1 2 346.284 0.544 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CCOCC1 ZINC001266484378 835883422 /nfs/dbraw/zinc/88/34/22/835883422.db2.gz YRTIDMDSQWNWFR-CWRNSKLLSA-N 1 2 333.432 0.699 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CCOCC1 ZINC001266484378 835883424 /nfs/dbraw/zinc/88/34/24/835883424.db2.gz YRTIDMDSQWNWFR-CWRNSKLLSA-N 1 2 333.432 0.699 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cnn(C)c1C ZINC001266831434 836355952 /nfs/dbraw/zinc/35/59/52/836355952.db2.gz GBEOJNCRJMCWEF-CQSZACIVSA-N 1 2 331.420 0.062 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnn(C)c1C ZINC001266831434 836355960 /nfs/dbraw/zinc/35/59/60/836355960.db2.gz GBEOJNCRJMCWEF-CQSZACIVSA-N 1 2 331.420 0.062 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC001266890013 836438928 /nfs/dbraw/zinc/43/89/28/836438928.db2.gz IBPCFOCOMTVKJM-DZGCQCFKSA-N 1 2 333.436 0.870 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC001266890013 836438933 /nfs/dbraw/zinc/43/89/33/836438933.db2.gz IBPCFOCOMTVKJM-DZGCQCFKSA-N 1 2 333.436 0.870 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1cnc2c(F)cccc2c1 ZINC001267207429 836990522 /nfs/dbraw/zinc/99/05/22/836990522.db2.gz HYZYTJWTWSQKTL-UHFFFAOYSA-N 1 2 342.374 0.785 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1cnc2c(F)cccc2c1 ZINC001267207429 836990529 /nfs/dbraw/zinc/99/05/29/836990529.db2.gz HYZYTJWTWSQKTL-UHFFFAOYSA-N 1 2 342.374 0.785 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)CCNC(=O)[C@H]1CCO[C@@H]1C ZINC001267225179 837022693 /nfs/dbraw/zinc/02/26/93/837022693.db2.gz QTUYWBYMWKXDEZ-CABCVRRESA-N 1 2 325.453 0.884 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCO[C@@H]1C ZINC001267225179 837022696 /nfs/dbraw/zinc/02/26/96/837022696.db2.gz QTUYWBYMWKXDEZ-CABCVRRESA-N 1 2 325.453 0.884 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)c1ncnc2[nH]ccc21 ZINC001267609050 837964592 /nfs/dbraw/zinc/96/45/92/837964592.db2.gz NFGFVPRZQRJAIR-UHFFFAOYSA-N 1 2 327.392 0.123 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](CCNS(C)(=O)=O)C2)C1 ZINC001267617560 838041769 /nfs/dbraw/zinc/04/17/69/838041769.db2.gz POUWFAVTHNDDFE-CYBMUJFWSA-N 1 2 329.466 0.473 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](CCNS(C)(=O)=O)C2)C1 ZINC001267617560 838041780 /nfs/dbraw/zinc/04/17/80/838041780.db2.gz POUWFAVTHNDDFE-CYBMUJFWSA-N 1 2 329.466 0.473 20 30 ECEDLO C=CCOCC[NH+]1CC(NC(=O)[C@H]2CCCN2c2ncccn2)C1 ZINC001267649767 838143159 /nfs/dbraw/zinc/14/31/59/838143159.db2.gz YPWXKOKCNSVDHV-OAHLLOKOSA-N 1 2 331.420 0.448 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)c2cn3ccc(C)cc3n2)C1 ZINC001267688197 838256156 /nfs/dbraw/zinc/25/61/56/838256156.db2.gz FKRMDZWJYHMVFX-UHFFFAOYSA-N 1 2 339.399 0.054 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)CCc2cncs2)C1 ZINC001267692652 838274065 /nfs/dbraw/zinc/27/40/65/838274065.db2.gz KCECUMZWXSQCJX-GFCCVEGCSA-N 1 2 334.445 0.262 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C2CCC(F)(F)CC2)C1 ZINC001267693930 838275567 /nfs/dbraw/zinc/27/55/67/838275567.db2.gz VTKKUNFXLIWLKS-GFCCVEGCSA-N 1 2 341.402 0.998 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)c2cnc3ccccc3c2)C1 ZINC001267693590 838278187 /nfs/dbraw/zinc/27/81/87/838278187.db2.gz KPNVCKSKXIOWNJ-UHFFFAOYSA-N 1 2 336.395 0.646 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2csc3cncn32)C1 ZINC001267693639 838278696 /nfs/dbraw/zinc/27/86/96/838278696.db2.gz MEKNXMIVMINALG-NSHDSACASA-N 1 2 345.428 0.195 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2cn(C)nc2C(C)C)C1 ZINC001267699123 838293912 /nfs/dbraw/zinc/29/39/12/838293912.db2.gz MYFSNXVCRUPIEM-ZDUSSCGKSA-N 1 2 345.447 0.343 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001267712490 838331836 /nfs/dbraw/zinc/33/18/36/838331836.db2.gz UEMFCORPNWPITA-MELADBBJSA-N 1 2 329.404 0.160 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001267712490 838331841 /nfs/dbraw/zinc/33/18/41/838331841.db2.gz UEMFCORPNWPITA-MELADBBJSA-N 1 2 329.404 0.160 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CSCC#N)C1 ZINC001267737349 838433804 /nfs/dbraw/zinc/43/38/04/838433804.db2.gz IBUIKLJHGWWWDB-CYBMUJFWSA-N 1 2 337.449 0.196 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](NC(=O)CSCC#N)C1 ZINC001267737349 838433807 /nfs/dbraw/zinc/43/38/07/838433807.db2.gz IBUIKLJHGWWWDB-CYBMUJFWSA-N 1 2 337.449 0.196 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnsn2)C1 ZINC001267737729 838434366 /nfs/dbraw/zinc/43/43/66/838434366.db2.gz ZZIHZAJSGYCFLD-GFCCVEGCSA-N 1 2 337.449 0.767 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnsn2)C1 ZINC001267737729 838434369 /nfs/dbraw/zinc/43/43/69/838434369.db2.gz ZZIHZAJSGYCFLD-GFCCVEGCSA-N 1 2 337.449 0.767 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cc(F)c(C)cc2F)C1 ZINC001267746612 838452459 /nfs/dbraw/zinc/45/24/59/838452459.db2.gz NBHUDGSIHMFZNS-CQSZACIVSA-N 1 2 349.381 0.756 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc(F)c(C)cc2F)C1 ZINC001267746612 838452466 /nfs/dbraw/zinc/45/24/66/838452466.db2.gz NBHUDGSIHMFZNS-CQSZACIVSA-N 1 2 349.381 0.756 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cc(C(C)C)on2)C1 ZINC001267746682 838453085 /nfs/dbraw/zinc/45/30/85/838453085.db2.gz QDQRDNCTJLQEHC-CHWSQXEVSA-N 1 2 332.404 0.740 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cc(C(C)C)on2)C1 ZINC001267746682 838453092 /nfs/dbraw/zinc/45/30/92/838453092.db2.gz QDQRDNCTJLQEHC-CHWSQXEVSA-N 1 2 332.404 0.740 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3ccccc3O2)C1 ZINC001267751401 838473819 /nfs/dbraw/zinc/47/38/19/838473819.db2.gz XGOYEEULKXEWSR-WBVHZDCISA-N 1 2 343.427 0.873 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3ccccc3O2)C1 ZINC001267751401 838473824 /nfs/dbraw/zinc/47/38/24/838473824.db2.gz XGOYEEULKXEWSR-WBVHZDCISA-N 1 2 343.427 0.873 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](Cc2ccccc2)OC)C1 ZINC001267754508 838477778 /nfs/dbraw/zinc/47/77/78/838477778.db2.gz NZRIQZABIBASOY-SJORKVTESA-N 1 2 343.427 0.184 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](Cc2ccccc2)OC)C1 ZINC001267754508 838477780 /nfs/dbraw/zinc/47/77/80/838477780.db2.gz NZRIQZABIBASOY-SJORKVTESA-N 1 2 343.427 0.184 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001267767300 838503489 /nfs/dbraw/zinc/50/34/89/838503489.db2.gz DYVDCULEMQPSHE-QBYUYEEZSA-N 1 2 333.432 0.084 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001267767300 838503492 /nfs/dbraw/zinc/50/34/92/838503492.db2.gz DYVDCULEMQPSHE-QBYUYEEZSA-N 1 2 333.432 0.084 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cocc2C)C1 ZINC001267768568 838507936 /nfs/dbraw/zinc/50/79/36/838507936.db2.gz PJJPXMKCWJLFDM-CYBMUJFWSA-N 1 2 348.403 0.746 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cocc2C)C1 ZINC001267768568 838507940 /nfs/dbraw/zinc/50/79/40/838507940.db2.gz PJJPXMKCWJLFDM-CYBMUJFWSA-N 1 2 348.403 0.746 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)C(F)F)C1 ZINC001267780129 838552527 /nfs/dbraw/zinc/55/25/27/838552527.db2.gz JDAHXXBCDCRHJM-QWRGUYRKSA-N 1 2 346.378 0.575 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)C(F)F)C1 ZINC001267780129 838552535 /nfs/dbraw/zinc/55/25/35/838552535.db2.gz JDAHXXBCDCRHJM-QWRGUYRKSA-N 1 2 346.378 0.575 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)Cc2ccco2)C1 ZINC001267970967 838893398 /nfs/dbraw/zinc/89/33/98/838893398.db2.gz VVVMNQRIWCEQKL-LSDHHAIUSA-N 1 2 331.416 0.788 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)Cc2ccco2)C1 ZINC001267970967 838893412 /nfs/dbraw/zinc/89/34/12/838893412.db2.gz VVVMNQRIWCEQKL-LSDHHAIUSA-N 1 2 331.416 0.788 20 30 ECEDLO CC(C)C#CC(=O)NC[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)CCO1 ZINC001268020857 838994645 /nfs/dbraw/zinc/99/46/45/838994645.db2.gz MOXFRNZVXRREQM-MRXNPFEDSA-N 1 2 331.416 0.362 20 30 ECEDLO CC(C)C#CC(=O)NC[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)CCO1 ZINC001268020857 838994655 /nfs/dbraw/zinc/99/46/55/838994655.db2.gz MOXFRNZVXRREQM-MRXNPFEDSA-N 1 2 331.416 0.362 20 30 ECEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@]2(C3CCCC3)CCNC2=O)C1 ZINC001268024346 839013173 /nfs/dbraw/zinc/01/31/73/839013173.db2.gz CRFATMPKIFAOPV-CRAIPNDOSA-N 1 2 335.448 0.686 20 30 ECEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@]2(C3CCCC3)CCNC2=O)C1 ZINC001268024346 839013181 /nfs/dbraw/zinc/01/31/81/839013181.db2.gz CRFATMPKIFAOPV-CRAIPNDOSA-N 1 2 335.448 0.686 20 30 ECEDLO C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)c2cnc(C)nc2C)C1 ZINC001268027743 839037492 /nfs/dbraw/zinc/03/74/92/839037492.db2.gz YGYFBTZRBIZBMO-HNNXBMFYSA-N 1 2 334.420 0.727 20 30 ECEDLO C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)c2cnc(C)nc2C)C1 ZINC001268027743 839037504 /nfs/dbraw/zinc/03/75/04/839037504.db2.gz YGYFBTZRBIZBMO-HNNXBMFYSA-N 1 2 334.420 0.727 20 30 ECEDLO C=CCOCC[N@@H+]1CCO[C@H](CNC(=O)c2cnn(C)c2C2CC2)C1 ZINC001268028199 839038841 /nfs/dbraw/zinc/03/88/41/839038841.db2.gz AMKDFUJANIZJPI-OAHLLOKOSA-N 1 2 348.447 0.931 20 30 ECEDLO C=CCOCC[N@H+]1CCO[C@H](CNC(=O)c2cnn(C)c2C2CC2)C1 ZINC001268028199 839038849 /nfs/dbraw/zinc/03/88/49/839038849.db2.gz AMKDFUJANIZJPI-OAHLLOKOSA-N 1 2 348.447 0.931 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)CCOC2CCOCC2)C1 ZINC001268030813 839053653 /nfs/dbraw/zinc/05/36/53/839053653.db2.gz UZEGSNBQXMCIBL-INIZCTEOSA-N 1 2 326.437 0.965 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)CCOC2CCOCC2)C1 ZINC001268030813 839053666 /nfs/dbraw/zinc/05/36/66/839053666.db2.gz UZEGSNBQXMCIBL-INIZCTEOSA-N 1 2 326.437 0.965 20 30 ECEDLO Cc1noc(C)c1C(=O)N1CCC2(C[NH+](CC(=O)NCC#N)C2)CC1 ZINC001268041660 839182760 /nfs/dbraw/zinc/18/27/60/839182760.db2.gz CTZQONBXZVPTBL-UHFFFAOYSA-N 1 2 345.403 0.469 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000981014847 839341681 /nfs/dbraw/zinc/34/16/81/839341681.db2.gz UOOUUNDBQVUHSH-LJQANCHMSA-N 1 2 341.455 0.903 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000981014847 839341700 /nfs/dbraw/zinc/34/17/00/839341700.db2.gz UOOUUNDBQVUHSH-LJQANCHMSA-N 1 2 341.455 0.903 20 30 ECEDLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC[N@@H+]1CCO ZINC000427416866 210197946 /nfs/dbraw/zinc/19/79/46/210197946.db2.gz WCAHJKMACBNCBP-NSHDSACASA-N 1 2 334.351 0.161 20 30 ECEDLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC[N@H+]1CCO ZINC000427416866 210197949 /nfs/dbraw/zinc/19/79/49/210197949.db2.gz WCAHJKMACBNCBP-NSHDSACASA-N 1 2 334.351 0.161 20 30 ECEDLO C[C@H](Oc1ccccc1C#N)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000425284048 210031155 /nfs/dbraw/zinc/03/11/55/210031155.db2.gz CZXFBMDNGDZIAY-ZFWWWQNUSA-N 1 2 333.388 0.135 20 30 ECEDLO CCC(CC)(NC(=O)C1CN(c2cc(C)[nH+]cc2C#N)C1)C(N)=O ZINC000425249448 210026109 /nfs/dbraw/zinc/02/61/09/210026109.db2.gz CBBAJBDVFLPDKA-UHFFFAOYSA-N 1 2 329.404 0.858 20 30 ECEDLO C=CCCN(C)C(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000297711545 202151129 /nfs/dbraw/zinc/15/11/29/202151129.db2.gz GKGVKLCHXRRRHN-CYBMUJFWSA-N 1 2 325.409 0.117 20 30 ECEDLO C=CCCN(C)C(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000297711545 202151131 /nfs/dbraw/zinc/15/11/31/202151131.db2.gz GKGVKLCHXRRRHN-CYBMUJFWSA-N 1 2 325.409 0.117 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000264169913 201209587 /nfs/dbraw/zinc/20/95/87/201209587.db2.gz LLZAFNHMMFTJRD-UHFFFAOYSA-N 1 2 331.391 0.652 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000264169913 201209591 /nfs/dbraw/zinc/20/95/91/201209591.db2.gz LLZAFNHMMFTJRD-UHFFFAOYSA-N 1 2 331.391 0.652 20 30 ECEDLO C=CCNC(=O)CNc1nc(NCC(=O)NCC=C)c(Cl)c[nH+]1 ZINC000272058275 201247692 /nfs/dbraw/zinc/24/76/92/201247692.db2.gz ZLGOOMFHICHLKW-UHFFFAOYSA-N 1 2 338.799 0.558 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2cnccc2C)CC1 ZINC000273179135 201255774 /nfs/dbraw/zinc/25/57/74/201255774.db2.gz JJVOOKKPMVLVQQ-AATRIKPKSA-N 1 2 340.427 0.687 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2cnccc2C)CC1 ZINC000273179135 201255778 /nfs/dbraw/zinc/25/57/78/201255778.db2.gz JJVOOKKPMVLVQQ-AATRIKPKSA-N 1 2 340.427 0.687 20 30 ECEDLO C#CC[N@@H+](C)CC(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O ZINC000277010823 201300046 /nfs/dbraw/zinc/30/00/46/201300046.db2.gz PMOQDGNZTHFQHV-QGZVFWFLSA-N 1 2 344.371 0.058 20 30 ECEDLO C#CC[N@H+](C)CC(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O ZINC000277010823 201300048 /nfs/dbraw/zinc/30/00/48/201300048.db2.gz PMOQDGNZTHFQHV-QGZVFWFLSA-N 1 2 344.371 0.058 20 30 ECEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 ZINC000051954492 202642711 /nfs/dbraw/zinc/64/27/11/202642711.db2.gz NIWHWAXJQQAAJS-UHFFFAOYSA-N 1 2 326.400 0.825 20 30 ECEDLO C[C@@H](C(=O)N1CCNC1=O)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108706 203256640 /nfs/dbraw/zinc/25/66/40/203256640.db2.gz AKGPSUGBCGEVPJ-LBPRGKRZSA-N 1 2 328.376 0.016 20 30 ECEDLO C[C@@H](C(=O)N1CCN(c2ccccc2C#N)CC1)[NH+]1CCN(C)CC1 ZINC000101671723 204017998 /nfs/dbraw/zinc/01/79/98/204017998.db2.gz RWSLSUXSKLSARF-INIZCTEOSA-N 1 2 341.459 0.843 20 30 ECEDLO N#Cc1ccc([C@@H](O)C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000126637763 205065042 /nfs/dbraw/zinc/06/50/42/205065042.db2.gz NMSVDQFBFOIIIJ-IRXDYDNUSA-N 1 2 329.400 0.915 20 30 ECEDLO COCCO[C@@H]1C[C@H](CO)C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000447398277 211188905 /nfs/dbraw/zinc/18/89/05/211188905.db2.gz SAZDFGZMWZRFNB-DOTOQJQBSA-N 1 2 347.415 0.843 20 30 ECEDLO COCCO[C@@H]1C[C@H](CO)C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000447398277 211188908 /nfs/dbraw/zinc/18/89/08/211188908.db2.gz SAZDFGZMWZRFNB-DOTOQJQBSA-N 1 2 347.415 0.843 20 30 ECEDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(C)c(C#N)cn2)C1 ZINC000412356167 208228079 /nfs/dbraw/zinc/22/80/79/208228079.db2.gz MEFRKJFQTHPUKP-CYBMUJFWSA-N 1 2 330.388 0.877 20 30 ECEDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cc(C)c(C#N)cn2)C1 ZINC000412356167 208228084 /nfs/dbraw/zinc/22/80/84/208228084.db2.gz MEFRKJFQTHPUKP-CYBMUJFWSA-N 1 2 330.388 0.877 20 30 ECEDLO Cc1cc(N(C)C[C@@H](O)C[NH+]2CCOCC2)c(C#N)cc1[N+](=O)[O-] ZINC000413184663 208293998 /nfs/dbraw/zinc/29/39/98/208293998.db2.gz YTZVCGUVZYIDCA-CQSZACIVSA-N 1 2 334.376 0.904 20 30 ECEDLO CCC[N@H+](CC(N)=O)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000429144400 210300763 /nfs/dbraw/zinc/30/07/63/210300763.db2.gz SBKXDDBFBDOFIU-UHFFFAOYSA-N 1 2 340.387 0.880 20 30 ECEDLO CCC[N@@H+](CC(N)=O)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000429144400 210300769 /nfs/dbraw/zinc/30/07/69/210300769.db2.gz SBKXDDBFBDOFIU-UHFFFAOYSA-N 1 2 340.387 0.880 20 30 ECEDLO C#CCNC(=O)[C@H](C)O[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000178149854 254506530 /nfs/dbraw/zinc/50/65/30/254506530.db2.gz AGOKWNORXOVYCE-ZDUSSCGKSA-N 1 2 329.404 0.847 20 30 ECEDLO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000328741351 254591545 /nfs/dbraw/zinc/59/15/45/254591545.db2.gz NMLJXBREZVRKHX-VXGBXAGGSA-N 1 2 326.422 0.826 20 30 ECEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)NCc2[nH+]ccn2C)C1 ZINC000329118331 254598807 /nfs/dbraw/zinc/59/88/07/254598807.db2.gz JJNWZOJTTHWCPT-STQMWFEESA-N 1 2 335.408 0.546 20 30 ECEDLO CC(C)(CC#N)CNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000457882537 254810225 /nfs/dbraw/zinc/81/02/25/254810225.db2.gz LZUULLGIESYOTN-UHFFFAOYSA-N 1 2 345.451 0.838 20 30 ECEDLO C[C@@H](C#N)CNC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496140597 255074809 /nfs/dbraw/zinc/07/48/09/255074809.db2.gz LMXRRILYTGVSOD-STQMWFEESA-N 1 2 339.440 0.996 20 30 ECEDLO C[C@@H](C#N)CNC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496140597 255074811 /nfs/dbraw/zinc/07/48/11/255074811.db2.gz LMXRRILYTGVSOD-STQMWFEESA-N 1 2 339.440 0.996 20 30 ECEDLO COC(=O)N1CCN(c2ccc(Nc3ccnc(C#N)n3)c[nH+]2)CC1 ZINC000496606946 255114093 /nfs/dbraw/zinc/11/40/93/255114093.db2.gz TXDQGPVKHWWDKR-UHFFFAOYSA-N 1 2 339.359 0.797 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496909577 255141049 /nfs/dbraw/zinc/14/10/49/255141049.db2.gz QJISBJZOZDHJHW-ZIAGYGMSSA-N 1 2 339.436 0.692 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496909577 255141050 /nfs/dbraw/zinc/14/10/50/255141050.db2.gz QJISBJZOZDHJHW-ZIAGYGMSSA-N 1 2 339.436 0.692 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(C(F)(F)F)c2)C1 ZINC001077942446 781982749 /nfs/dbraw/zinc/98/27/49/781982749.db2.gz RDCJNTAIIZYYQM-CHWSQXEVSA-N 1 2 327.306 0.899 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(C(F)(F)F)c2)C1 ZINC001077942446 781982756 /nfs/dbraw/zinc/98/27/56/781982756.db2.gz RDCJNTAIIZYYQM-CHWSQXEVSA-N 1 2 327.306 0.899 20 30 ECEDLO CCCCNC(=O)NC(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060481239 296606795 /nfs/dbraw/zinc/60/67/95/296606795.db2.gz QDNZQDBMTMRMPZ-UHFFFAOYSA-N 1 2 344.419 0.701 20 30 ECEDLO CCO[C@@H]1C[C@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)[C@@]12CCCO2 ZINC000329774384 286312916 /nfs/dbraw/zinc/31/29/16/286312916.db2.gz INZDRADSGBENEP-HNLJFRNMSA-N 1 2 339.436 0.642 20 30 ECEDLO CCO[C@@H]1C[C@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)[C@@]12CCCO2 ZINC000329774384 286312917 /nfs/dbraw/zinc/31/29/17/286312917.db2.gz INZDRADSGBENEP-HNLJFRNMSA-N 1 2 339.436 0.642 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3cnn(C)n3)C2)C1 ZINC001041695679 782013283 /nfs/dbraw/zinc/01/32/83/782013283.db2.gz DYZZWYGDPZUVGC-SOLBZPMBSA-N 1 2 345.447 0.831 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](Cc3cnn(C)n3)C2)C1 ZINC001041695679 782013286 /nfs/dbraw/zinc/01/32/86/782013286.db2.gz DYZZWYGDPZUVGC-SOLBZPMBSA-N 1 2 345.447 0.831 20 30 ECEDLO C[C@@H](C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C)CS(C)(=O)=O ZINC000246568072 165138611 /nfs/dbraw/zinc/13/86/11/165138611.db2.gz NUNHXYIHPKTJJI-QWHCGFSZSA-N 1 2 337.449 0.539 20 30 ECEDLO C[C@@H](C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C)CS(C)(=O)=O ZINC000246568072 165138614 /nfs/dbraw/zinc/13/86/14/165138614.db2.gz NUNHXYIHPKTJJI-QWHCGFSZSA-N 1 2 337.449 0.539 20 30 ECEDLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1cccc(C#N)c1 ZINC000262151686 165300514 /nfs/dbraw/zinc/30/05/14/165300514.db2.gz ZYZKNOLBKKBDQW-CQSZACIVSA-N 1 2 331.401 0.627 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC[N@@H+]1CCO ZINC000188731885 263162580 /nfs/dbraw/zinc/16/25/80/263162580.db2.gz UZUXUROYMUCBMI-NSHDSACASA-N 1 2 343.836 0.899 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC[N@H+]1CCO ZINC000188731885 263162581 /nfs/dbraw/zinc/16/25/81/263162581.db2.gz UZUXUROYMUCBMI-NSHDSACASA-N 1 2 343.836 0.899 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000266848535 263179413 /nfs/dbraw/zinc/17/94/13/263179413.db2.gz BTYAOJKORAYHLQ-OAHLLOKOSA-N 1 2 346.431 0.179 20 30 ECEDLO Cc1nc(N2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)cc[nH+]1 ZINC000332392546 270005723 /nfs/dbraw/zinc/00/57/23/270005723.db2.gz MRTOJRCCYQNFGO-UHFFFAOYSA-N 1 2 333.373 0.761 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)c2ccc(C#N)o2)C1=O ZINC000346306922 270006376 /nfs/dbraw/zinc/00/63/76/270006376.db2.gz WWVVDLZOMHXZLA-LBPRGKRZSA-N 1 2 327.344 0.806 20 30 ECEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000349851619 265590815 /nfs/dbraw/zinc/59/08/15/265590815.db2.gz HWUPXGXCIDWCSE-UHFFFAOYSA-N 1 2 342.447 0.923 20 30 ECEDLO CCN(CC)C(=O)[C@H](C)[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000349886543 266111100 /nfs/dbraw/zinc/11/11/00/266111100.db2.gz XDKXCNWGYRNEIN-AWEZNQCLSA-N 1 2 332.452 0.979 20 30 ECEDLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(C#N)o1 ZINC000287176682 267048020 /nfs/dbraw/zinc/04/80/20/267048020.db2.gz CSSVPLBBSCOBSU-LLVKDONJSA-N 1 2 327.406 0.617 20 30 ECEDLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(C#N)o1 ZINC000287176682 267048022 /nfs/dbraw/zinc/04/80/22/267048022.db2.gz CSSVPLBBSCOBSU-LLVKDONJSA-N 1 2 327.406 0.617 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC000348271475 267240687 /nfs/dbraw/zinc/24/06/87/267240687.db2.gz NJHLUADRFDYZFC-ZDUSSCGKSA-N 1 2 349.460 0.684 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CC1CCS(=O)(=O)CC1 ZINC000348271475 267240689 /nfs/dbraw/zinc/24/06/89/267240689.db2.gz NJHLUADRFDYZFC-ZDUSSCGKSA-N 1 2 349.460 0.684 20 30 ECEDLO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000521253658 267364644 /nfs/dbraw/zinc/36/46/44/267364644.db2.gz CRZOWFYKUARAQN-CYBMUJFWSA-N 1 2 346.343 0.720 20 30 ECEDLO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000521253658 267364647 /nfs/dbraw/zinc/36/46/47/267364647.db2.gz CRZOWFYKUARAQN-CYBMUJFWSA-N 1 2 346.343 0.720 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000363096411 268194009 /nfs/dbraw/zinc/19/40/09/268194009.db2.gz QUMQZDXSUOVHTE-JKSUJKDBSA-N 1 2 335.429 0.778 20 30 ECEDLO N#Cc1cccc(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000340147917 268249151 /nfs/dbraw/zinc/24/91/51/268249151.db2.gz MDBZZROIBBWFRX-INIZCTEOSA-N 1 2 342.399 0.108 20 30 ECEDLO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000528336822 268301758 /nfs/dbraw/zinc/30/17/58/268301758.db2.gz HGEJGYIGYMNBRL-MRXNPFEDSA-N 1 2 329.400 0.852 20 30 ECEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289426261 268308611 /nfs/dbraw/zinc/30/86/11/268308611.db2.gz NEVBLDGISKBWOT-JTQLQIEISA-N 1 2 332.389 0.849 20 30 ECEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289426261 268308614 /nfs/dbraw/zinc/30/86/14/268308614.db2.gz NEVBLDGISKBWOT-JTQLQIEISA-N 1 2 332.389 0.849 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CCC)c2C2CC2)C1 ZINC001077973914 782050162 /nfs/dbraw/zinc/05/01/62/782050162.db2.gz FFMQFGYHVXHAMC-HZPDHXFCSA-N 1 2 330.432 0.969 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CCC)c2C2CC2)C1 ZINC001077973914 782050171 /nfs/dbraw/zinc/05/01/71/782050171.db2.gz FFMQFGYHVXHAMC-HZPDHXFCSA-N 1 2 330.432 0.969 20 30 ECEDLO CN1CC[N@H+](C)[C@H](CNC(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC000330238614 277102320 /nfs/dbraw/zinc/10/23/20/277102320.db2.gz IANZAOAEMSESDP-QWHCGFSZSA-N 1 2 325.457 0.135 20 30 ECEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC000330238614 277102321 /nfs/dbraw/zinc/10/23/21/277102321.db2.gz IANZAOAEMSESDP-QWHCGFSZSA-N 1 2 325.457 0.135 20 30 ECEDLO COC[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)[C@H]1CCCO1 ZINC000329453597 292975914 /nfs/dbraw/zinc/97/59/14/292975914.db2.gz MASLCBUVTLTVSU-XUWVNRHRSA-N 1 2 341.452 0.889 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000333168487 298135879 /nfs/dbraw/zinc/13/58/79/298135879.db2.gz PFRGWKMNEVXZAK-SJKOYZFVSA-N 1 2 347.419 0.392 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000333168487 298135880 /nfs/dbraw/zinc/13/58/80/298135880.db2.gz PFRGWKMNEVXZAK-SJKOYZFVSA-N 1 2 347.419 0.392 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(c2ncc(C(N)=O)cc2Cl)CC1 ZINC000074259664 436115712 /nfs/dbraw/zinc/11/57/12/436115712.db2.gz SHNSLDPZALJDQT-UHFFFAOYSA-N 1 2 349.822 0.095 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2ncc(C(N)=O)cc2Cl)CC1 ZINC000074259664 436115719 /nfs/dbraw/zinc/11/57/19/436115719.db2.gz SHNSLDPZALJDQT-UHFFFAOYSA-N 1 2 349.822 0.095 20 30 ECEDLO CCNC(=O)NC(=O)[C@@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023084737 436121978 /nfs/dbraw/zinc/12/19/78/436121978.db2.gz BWKJOCWXIFOUBQ-CQSZACIVSA-N 1 2 343.431 0.910 20 30 ECEDLO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000023084737 436121983 /nfs/dbraw/zinc/12/19/83/436121983.db2.gz BWKJOCWXIFOUBQ-CQSZACIVSA-N 1 2 343.431 0.910 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000028274712 436189792 /nfs/dbraw/zinc/18/97/92/436189792.db2.gz HFGFRFLPXIOCKX-HNNXBMFYSA-N 1 2 328.416 0.381 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000076649832 436213314 /nfs/dbraw/zinc/21/33/14/436213314.db2.gz CHMNBXKOTFGJIP-MRXNPFEDSA-N 1 2 349.479 0.235 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(Cc2cc(OC)ccc2OC)CC1 ZINC000042331660 436300221 /nfs/dbraw/zinc/30/02/21/436300221.db2.gz IITURLFBQDHEAQ-HNNXBMFYSA-N 1 2 345.443 0.959 20 30 ECEDLO C#CCNC(=O)[C@H](C)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000042331660 436300225 /nfs/dbraw/zinc/30/02/25/436300225.db2.gz IITURLFBQDHEAQ-HNNXBMFYSA-N 1 2 345.443 0.959 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(C)CC(=O)Nc2ccc(C)cc2)CC1 ZINC000081647925 436353143 /nfs/dbraw/zinc/35/31/43/436353143.db2.gz LTJROALDBWRXIS-UHFFFAOYSA-N 1 2 342.443 0.643 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)N1CC[NH+](Cc2ccccn2)CC1 ZINC000043689767 436333944 /nfs/dbraw/zinc/33/39/44/436333944.db2.gz PLTCUHBNRIXNMP-CQSZACIVSA-N 1 2 331.420 0.600 20 30 ECEDLO CCNC(=O)C[NH+]1CCN([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000083133955 436368107 /nfs/dbraw/zinc/36/81/07/436368107.db2.gz SHFIVIKHOKWNGR-QGZVFWFLSA-N 1 2 344.415 0.526 20 30 ECEDLO CC[N@@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C[C@@H](C)C#N ZINC000108975443 436622580 /nfs/dbraw/zinc/62/25/80/436622580.db2.gz LTIUQYZBZGZWCM-ZDUSSCGKSA-N 1 2 344.419 0.985 20 30 ECEDLO CC[N@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C[C@@H](C)C#N ZINC000108975443 436622583 /nfs/dbraw/zinc/62/25/83/436622583.db2.gz LTIUQYZBZGZWCM-ZDUSSCGKSA-N 1 2 344.419 0.985 20 30 ECEDLO N#Cc1cccc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000057062543 436603724 /nfs/dbraw/zinc/60/37/24/436603724.db2.gz WVHQCGXTBCUOCY-UHFFFAOYSA-N 1 2 336.399 0.900 20 30 ECEDLO Cc1cccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c1C#N ZINC000189086680 302010512 /nfs/dbraw/zinc/01/05/12/302010512.db2.gz ZEGBVIIAFVYGFE-UONOGXRCSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c1C#N ZINC000189086680 302010515 /nfs/dbraw/zinc/01/05/15/302010515.db2.gz ZEGBVIIAFVYGFE-UONOGXRCSA-N 1 2 337.445 0.942 20 30 ECEDLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)CCCC#N)CC1 ZINC000111328508 436630476 /nfs/dbraw/zinc/63/04/76/436630476.db2.gz ITXMADFKNSPNMY-UHFFFAOYSA-N 1 2 330.454 0.200 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCOCC3)CC2)c(F)c1 ZINC000060197012 436631873 /nfs/dbraw/zinc/63/18/73/436631873.db2.gz CLMADTOHLYDTEM-UHFFFAOYSA-N 1 2 332.379 0.678 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2cncc(F)c2)CC1 ZINC000112904220 436634253 /nfs/dbraw/zinc/63/42/53/436634253.db2.gz ZYKSHIYXMPOBMT-SNAWJCMRSA-N 1 2 344.390 0.518 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2cncc(F)c2)CC1 ZINC000112904220 436634255 /nfs/dbraw/zinc/63/42/55/436634255.db2.gz ZYKSHIYXMPOBMT-SNAWJCMRSA-N 1 2 344.390 0.518 20 30 ECEDLO CCNC(=O)C[NH+]1CCN(Cc2cccc(C(=O)OC)c2C#N)CC1 ZINC000535981161 302131828 /nfs/dbraw/zinc/13/18/28/302131828.db2.gz UJKZZBFIGAEZJU-UHFFFAOYSA-N 1 2 344.415 0.599 20 30 ECEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000536471576 302136810 /nfs/dbraw/zinc/13/68/10/302136810.db2.gz UVROVQSSXSMKMX-LBPRGKRZSA-N 1 2 330.344 0.182 20 30 ECEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000536471576 302136813 /nfs/dbraw/zinc/13/68/13/302136813.db2.gz UVROVQSSXSMKMX-LBPRGKRZSA-N 1 2 330.344 0.182 20 30 ECEDLO C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193770330 436651606 /nfs/dbraw/zinc/65/16/06/436651606.db2.gz JKBODNMMTGPPDN-LBPRGKRZSA-N 1 2 342.403 0.452 20 30 ECEDLO Cc1onc(CC(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)c1C#N ZINC000548023608 302280219 /nfs/dbraw/zinc/28/02/19/302280219.db2.gz FANFPIGDXZRUDN-CQSZACIVSA-N 1 2 332.404 0.966 20 30 ECEDLO Cc1onc(CC(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)c1C#N ZINC000548023608 302280221 /nfs/dbraw/zinc/28/02/21/302280221.db2.gz FANFPIGDXZRUDN-CQSZACIVSA-N 1 2 332.404 0.966 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)OC)c2)CC1 ZINC000064432616 436649143 /nfs/dbraw/zinc/64/91/43/436649143.db2.gz OZWPBHVFRBZWPC-UHFFFAOYSA-N 1 2 336.413 0.803 20 30 ECEDLO Cc1ccn(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)c(=O)c1 ZINC000194508691 436667847 /nfs/dbraw/zinc/66/78/47/436667847.db2.gz SYECPSJXSQMRGM-UHFFFAOYSA-N 1 2 332.404 0.231 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)c2cccc(OC)c2)CC1 ZINC000142171640 436672271 /nfs/dbraw/zinc/67/22/71/436672271.db2.gz UNDNTVYKCICAJH-OAHLLOKOSA-N 1 2 343.427 0.981 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)c2cccc(OC)c2)CC1 ZINC000142171640 436672274 /nfs/dbraw/zinc/67/22/74/436672274.db2.gz UNDNTVYKCICAJH-OAHLLOKOSA-N 1 2 343.427 0.981 20 30 ECEDLO CCOC1CC(CNC(=O)c2c[nH]c(C#N)c2)([NH+]2CCOCC2)C1 ZINC000194792695 436672670 /nfs/dbraw/zinc/67/26/70/436672670.db2.gz KLTOLXQCUXXOKF-UHFFFAOYSA-N 1 2 332.404 0.886 20 30 ECEDLO CC(C)[N@H+](CC(N)=O)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000065949729 436674222 /nfs/dbraw/zinc/67/42/22/436674222.db2.gz QJIPBEXRBVTRPZ-UHFFFAOYSA-N 1 2 340.387 0.878 20 30 ECEDLO CC(C)[N@@H+](CC(N)=O)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000065949729 436674224 /nfs/dbraw/zinc/67/42/24/436674224.db2.gz QJIPBEXRBVTRPZ-UHFFFAOYSA-N 1 2 340.387 0.878 20 30 ECEDLO C#CC[N@H+](CC(=O)NCC(=O)N1CCCC1)Cc1ccc(F)cc1 ZINC000065958237 436675616 /nfs/dbraw/zinc/67/56/16/436675616.db2.gz PMVULSLZJZRCRE-UHFFFAOYSA-N 1 2 331.391 1.000 20 30 ECEDLO C#CC[N@@H+](CC(=O)NCC(=O)N1CCCC1)Cc1ccc(F)cc1 ZINC000065958237 436675618 /nfs/dbraw/zinc/67/56/18/436675618.db2.gz PMVULSLZJZRCRE-UHFFFAOYSA-N 1 2 331.391 1.000 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC2(O)CCCCC2)CC1 ZINC000120303506 436684241 /nfs/dbraw/zinc/68/42/41/436684241.db2.gz RXQHKMCIHNTNSK-UHFFFAOYSA-N 1 2 335.448 0.355 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC2(O)CCCCC2)CC1 ZINC000120303506 436684244 /nfs/dbraw/zinc/68/42/44/436684244.db2.gz RXQHKMCIHNTNSK-UHFFFAOYSA-N 1 2 335.448 0.355 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCCCC#N)CC1 ZINC000273218000 436739180 /nfs/dbraw/zinc/73/91/80/436739180.db2.gz KOTWDCKZYWCYJS-UHFFFAOYSA-N 1 2 328.380 0.499 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)CCC(C)C)CC1 ZINC000123538819 436740226 /nfs/dbraw/zinc/74/02/26/436740226.db2.gz MUDNNJGTVMGQLG-UHFFFAOYSA-N 1 2 329.466 0.119 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)CCC(C)C)CC1 ZINC000123538819 436740231 /nfs/dbraw/zinc/74/02/31/436740231.db2.gz MUDNNJGTVMGQLG-UHFFFAOYSA-N 1 2 329.466 0.119 20 30 ECEDLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000123279235 436741161 /nfs/dbraw/zinc/74/11/61/436741161.db2.gz DQVRQDWSOGUSIX-CQSZACIVSA-N 1 2 341.408 0.775 20 30 ECEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000153053284 436746371 /nfs/dbraw/zinc/74/63/71/436746371.db2.gz ZVLQCTGLXLZSFP-IRXDYDNUSA-N 1 2 345.447 0.888 20 30 ECEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000153053284 436746375 /nfs/dbraw/zinc/74/63/75/436746375.db2.gz ZVLQCTGLXLZSFP-IRXDYDNUSA-N 1 2 345.447 0.888 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](S(=O)(=O)NCC)C1 ZINC000245540016 436765128 /nfs/dbraw/zinc/76/51/28/436765128.db2.gz ORTNYTZUZXTQOG-ZIAGYGMSSA-N 1 2 331.482 0.813 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](S(=O)(=O)NCC)C1 ZINC000245540016 436765130 /nfs/dbraw/zinc/76/51/30/436765130.db2.gz ORTNYTZUZXTQOG-ZIAGYGMSSA-N 1 2 331.482 0.813 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000128618176 436819078 /nfs/dbraw/zinc/81/90/78/436819078.db2.gz WNHBDKMEAFPEEY-AWEZNQCLSA-N 1 2 325.416 0.818 20 30 ECEDLO CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000154079606 436770983 /nfs/dbraw/zinc/77/09/83/436770983.db2.gz XTOOZESQFNQIBA-ZDUSSCGKSA-N 1 2 333.417 0.720 20 30 ECEDLO CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000154079606 436770987 /nfs/dbraw/zinc/77/09/87/436770987.db2.gz XTOOZESQFNQIBA-ZDUSSCGKSA-N 1 2 333.417 0.720 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)[C@H]1C[N@H+](C)CCO1 ZINC000125803594 436776395 /nfs/dbraw/zinc/77/63/95/436776395.db2.gz KHWWWWCXIWBCCT-NOZJJQNGSA-N 1 2 345.371 0.834 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000125803594 436776396 /nfs/dbraw/zinc/77/63/96/436776396.db2.gz KHWWWWCXIWBCCT-NOZJJQNGSA-N 1 2 345.371 0.834 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(OCCOC)c2)CC1 ZINC000154788496 436784894 /nfs/dbraw/zinc/78/48/94/436784894.db2.gz QYWGJTFEWNOELT-UHFFFAOYSA-N 1 2 331.416 0.901 20 30 ECEDLO COCC[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000248280269 436800459 /nfs/dbraw/zinc/80/04/59/436800459.db2.gz UYKWMRFQKDTQNA-HOTGVXAUSA-N 1 2 338.429 0.727 20 30 ECEDLO COCC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000248280269 436800462 /nfs/dbraw/zinc/80/04/62/436800462.db2.gz UYKWMRFQKDTQNA-HOTGVXAUSA-N 1 2 338.429 0.727 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@H](C)C[S@@](C)=O)CC1 ZINC000248624734 436806240 /nfs/dbraw/zinc/80/62/40/436806240.db2.gz OTJNHEQRFZZGEL-HUYGQZFBSA-N 1 2 342.509 0.378 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@H](C)C[S@@](C)=O)CC1 ZINC000248624734 436806244 /nfs/dbraw/zinc/80/62/44/436806244.db2.gz OTJNHEQRFZZGEL-HUYGQZFBSA-N 1 2 342.509 0.378 20 30 ECEDLO N#Cc1cc(F)c(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)c(F)c1 ZINC000158739877 436849229 /nfs/dbraw/zinc/84/92/29/436849229.db2.gz UWVQWOZMUNNYLA-UHFFFAOYSA-N 1 2 345.371 0.525 20 30 ECEDLO N#Cc1cc(F)c(S(=O)(=O)N2CCC[N@H+](CCO)CC2)c(F)c1 ZINC000158739877 436849233 /nfs/dbraw/zinc/84/92/33/436849233.db2.gz UWVQWOZMUNNYLA-UHFFFAOYSA-N 1 2 345.371 0.525 20 30 ECEDLO COCCn1nnc2c1CC[N@H+](C[C@H](O)c1ccc(C#N)cc1)C2 ZINC000293232705 436859082 /nfs/dbraw/zinc/85/90/82/436859082.db2.gz KTKRPDRWOCECKF-KRWDZBQOSA-N 1 2 327.388 0.888 20 30 ECEDLO COCCn1nnc2c1CC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C2 ZINC000293232705 436859088 /nfs/dbraw/zinc/85/90/88/436859088.db2.gz KTKRPDRWOCECKF-KRWDZBQOSA-N 1 2 327.388 0.888 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[C@H](C(N)=O)O3)CC2)cc1 ZINC000280085691 436861243 /nfs/dbraw/zinc/86/12/43/436861243.db2.gz AJFSDPFCMGAJBO-CVEARBPZSA-N 1 2 342.399 0.235 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(=O)Nc3sccc3C#N)C[C@@H]21 ZINC000293872429 436915063 /nfs/dbraw/zinc/91/50/63/436915063.db2.gz ZRNPQBKOTPHOTE-NWDGAFQWSA-N 1 2 334.401 0.490 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)C(=O)Nc3sccc3C#N)C[C@@H]21 ZINC000293872429 436915067 /nfs/dbraw/zinc/91/50/67/436915067.db2.gz ZRNPQBKOTPHOTE-NWDGAFQWSA-N 1 2 334.401 0.490 20 30 ECEDLO C#CCNC(=O)CC[N@@H+](CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C ZINC000294601437 436959885 /nfs/dbraw/zinc/95/98/85/436959885.db2.gz NQOKHOFAACDNDG-CYBMUJFWSA-N 1 2 339.436 0.294 20 30 ECEDLO C#CCNC(=O)CC[N@H+](CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C ZINC000294601437 436959888 /nfs/dbraw/zinc/95/98/88/436959888.db2.gz NQOKHOFAACDNDG-CYBMUJFWSA-N 1 2 339.436 0.294 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000283080784 437023948 /nfs/dbraw/zinc/02/39/48/437023948.db2.gz VSRPFTQCPPZIGT-CQSZACIVSA-N 1 2 337.449 0.678 20 30 ECEDLO COCCN(CCC#N)S(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC000281807449 436998180 /nfs/dbraw/zinc/99/81/80/436998180.db2.gz RDBKYEYFBYZYKV-UHFFFAOYSA-N 1 2 337.405 0.531 20 30 ECEDLO C=CCCCNC(=O)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000284375481 437053356 /nfs/dbraw/zinc/05/33/56/437053356.db2.gz GSOGLHLJBIIKSE-UHFFFAOYSA-N 1 2 332.404 0.617 20 30 ECEDLO CNC(=O)c1cccc(NC(=O)[C@@H](C)O[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000284442155 437053503 /nfs/dbraw/zinc/05/35/03/437053503.db2.gz PLIGFEIKTYYTIP-ZWNOBZJWSA-N 1 2 334.376 0.841 20 30 ECEDLO Cc1nn(CCS(C)(=O)=O)c(C)c1CO[NH+]=C(N)[C@H]1CCCO1 ZINC000284418359 437054130 /nfs/dbraw/zinc/05/41/30/437054130.db2.gz NZVASQFHGFRHBH-CYBMUJFWSA-N 1 2 344.437 0.512 20 30 ECEDLO C[C@@H](NC(=O)C(=O)NCc1cccc(C#N)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000284080356 437037481 /nfs/dbraw/zinc/03/74/81/437037481.db2.gz RZNNSDBPUBAGHZ-ZIAGYGMSSA-N 1 2 344.415 0.400 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000265469802 437136516 /nfs/dbraw/zinc/13/65/16/437136516.db2.gz PARDLXRUZBURSX-CQSZACIVSA-N 1 2 343.431 0.668 20 30 ECEDLO C[C@](O)(CNC(=O)c1cc(F)cc2n[nH]nc21)C[NH+]1CCOCC1 ZINC000328646700 437246856 /nfs/dbraw/zinc/24/68/56/437246856.db2.gz HBDQAZAXKMFJLA-HNNXBMFYSA-N 1 2 337.355 0.485 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1)C1CC1 ZINC000332753002 437247663 /nfs/dbraw/zinc/24/76/63/437247663.db2.gz GEHYTJRXCOGTIG-YJBOKZPZSA-N 1 2 348.447 0.508 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1)C1CC1 ZINC000332753002 437247666 /nfs/dbraw/zinc/24/76/66/437247666.db2.gz GEHYTJRXCOGTIG-YJBOKZPZSA-N 1 2 348.447 0.508 20 30 ECEDLO CCn1nncc1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000328725815 437257614 /nfs/dbraw/zinc/25/76/14/437257614.db2.gz BOTVXNSKMFLORP-AWEZNQCLSA-N 1 2 325.438 0.811 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000336912147 437309136 /nfs/dbraw/zinc/30/91/36/437309136.db2.gz JVKOSOUIGXNHRC-UHFFFAOYSA-N 1 2 337.449 0.680 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000336923292 437313024 /nfs/dbraw/zinc/31/30/24/437313024.db2.gz SFHOWLRJJBDQJE-GFCCVEGCSA-N 1 2 325.438 0.964 20 30 ECEDLO CC[C@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)C(=O)N1CCOCC1 ZINC000328878018 437276200 /nfs/dbraw/zinc/27/62/00/437276200.db2.gz UMEROKJWJYGODA-KGLIPLIRSA-N 1 2 349.435 0.761 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CC(=O)N(C(C)(C)C)C3)C[C@@H]21 ZINC000328888122 437279388 /nfs/dbraw/zinc/27/93/88/437279388.db2.gz PXNZBCZYIBTJBR-HZSPNIEDSA-N 1 2 338.452 0.705 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CC(=O)N(C(C)(C)C)C3)C[C@@H]21 ZINC000328888122 437279390 /nfs/dbraw/zinc/27/93/90/437279390.db2.gz PXNZBCZYIBTJBR-HZSPNIEDSA-N 1 2 338.452 0.705 20 30 ECEDLO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1=O ZINC000328892404 437280174 /nfs/dbraw/zinc/28/01/74/437280174.db2.gz TVKXQOPAWNCEJP-MRLBHPIUSA-N 1 2 336.436 0.315 20 30 ECEDLO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1=O ZINC000328892404 437280178 /nfs/dbraw/zinc/28/01/78/437280178.db2.gz TVKXQOPAWNCEJP-MRLBHPIUSA-N 1 2 336.436 0.315 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CNC(=O)NC3CCCCC3)C[C@H]21 ZINC000328893609 437280548 /nfs/dbraw/zinc/28/05/48/437280548.db2.gz UMESOMALKXIVHD-HUUCEWRRSA-N 1 2 338.452 0.754 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)CNC(=O)NC3CCCCC3)C[C@H]21 ZINC000328893609 437280550 /nfs/dbraw/zinc/28/05/50/437280550.db2.gz UMESOMALKXIVHD-HUUCEWRRSA-N 1 2 338.452 0.754 20 30 ECEDLO CC(C)N1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1=O ZINC000329254120 437341092 /nfs/dbraw/zinc/34/10/92/437341092.db2.gz AAVNQBKCSIBMNN-UHFFFAOYSA-N 1 2 326.441 0.564 20 30 ECEDLO CC(C)N1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1=O ZINC000329254120 437341095 /nfs/dbraw/zinc/34/10/95/437341095.db2.gz AAVNQBKCSIBMNN-UHFFFAOYSA-N 1 2 326.441 0.564 20 30 ECEDLO CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])NC[C@@H]1C[N@H+](C)CCN1C)CC2 ZINC000329352069 437354819 /nfs/dbraw/zinc/35/48/19/437354819.db2.gz ULHGAKSFANKAAA-ZIAGYGMSSA-N 1 2 349.483 0.466 20 30 ECEDLO CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])NC[C@@H]1C[N@@H+](C)CCN1C)CC2 ZINC000329352069 437354825 /nfs/dbraw/zinc/35/48/25/437354825.db2.gz ULHGAKSFANKAAA-ZIAGYGMSSA-N 1 2 349.483 0.466 20 30 ECEDLO CC(C)c1nnc2n1C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)CC2 ZINC000329352069 437354827 /nfs/dbraw/zinc/35/48/27/437354827.db2.gz ULHGAKSFANKAAA-ZIAGYGMSSA-N 1 2 349.483 0.466 20 30 ECEDLO CC(C)c1nnc2n1C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)CC2 ZINC000329352069 437354832 /nfs/dbraw/zinc/35/48/32/437354832.db2.gz ULHGAKSFANKAAA-ZIAGYGMSSA-N 1 2 349.483 0.466 20 30 ECEDLO CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)Cc2cc(C)no2)CC1 ZINC000329446296 437368938 /nfs/dbraw/zinc/36/89/38/437368938.db2.gz KXAUCMKZWXIYKR-UHFFFAOYSA-N 1 2 344.437 0.797 20 30 ECEDLO CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)Cc2cc(C)no2)CC1 ZINC000329446296 437368941 /nfs/dbraw/zinc/36/89/41/437368941.db2.gz KXAUCMKZWXIYKR-UHFFFAOYSA-N 1 2 344.437 0.797 20 30 ECEDLO CCc1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc(=O)[nH]1 ZINC000181560986 437324481 /nfs/dbraw/zinc/32/44/81/437324481.db2.gz XTCZZNQRDDLKCH-UHFFFAOYSA-N 1 2 332.404 0.625 20 30 ECEDLO O=C(N[C@H]1CCCOC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329174969 437330539 /nfs/dbraw/zinc/33/05/39/437330539.db2.gz MAFWPHQZWTVWFK-KBPBESRZSA-N 1 2 325.409 0.303 20 30 ECEDLO N#CCC(=O)N1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000329190623 437331646 /nfs/dbraw/zinc/33/16/46/437331646.db2.gz QCRMILPAOIDYQY-OAHLLOKOSA-N 1 2 334.420 0.214 20 30 ECEDLO N#CCC(=O)N1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000329190623 437331649 /nfs/dbraw/zinc/33/16/49/437331649.db2.gz QCRMILPAOIDYQY-OAHLLOKOSA-N 1 2 334.420 0.214 20 30 ECEDLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000329225021 437337237 /nfs/dbraw/zinc/33/72/37/437337237.db2.gz FWICQFBACQILDO-GFCCVEGCSA-N 1 2 345.407 0.186 20 30 ECEDLO Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000329226871 437337930 /nfs/dbraw/zinc/33/79/30/437337930.db2.gz HSRKPMNUDBPNNH-DGAVXFQQSA-N 1 2 335.408 0.179 20 30 ECEDLO Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000329226871 437337933 /nfs/dbraw/zinc/33/79/33/437337933.db2.gz HSRKPMNUDBPNNH-DGAVXFQQSA-N 1 2 335.408 0.179 20 30 ECEDLO CC[C@@H]1CN(C(=O)NCC[NH+]2CCSCC2)C[C@H](C)S1(=O)=O ZINC000329241610 437338451 /nfs/dbraw/zinc/33/84/51/437338451.db2.gz RVGQTQPYGVLJQL-QWHCGFSZSA-N 1 2 349.522 0.847 20 30 ECEDLO O=C(N[C@H]1CCCS(=O)(=O)C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000329730237 437406123 /nfs/dbraw/zinc/40/61/23/437406123.db2.gz DCRWLQIAJOIMNR-KBPBESRZSA-N 1 2 345.465 0.132 20 30 ECEDLO N#Cc1cncc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000289501436 437418084 /nfs/dbraw/zinc/41/80/84/437418084.db2.gz PYUHOGMXGFNKCV-ZDUSSCGKSA-N 1 2 336.417 0.296 20 30 ECEDLO CO/N=C/C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000289558445 437423252 /nfs/dbraw/zinc/42/32/52/437423252.db2.gz ROYRAYBTOGBWCU-UZPSYVQNSA-N 1 2 348.407 0.030 20 30 ECEDLO CO/N=C/C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000289558445 437423256 /nfs/dbraw/zinc/42/32/56/437423256.db2.gz ROYRAYBTOGBWCU-UZPSYVQNSA-N 1 2 348.407 0.030 20 30 ECEDLO C=CCn1c([C@@H]2COCCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000337819003 437381097 /nfs/dbraw/zinc/38/10/97/437381097.db2.gz QKSDCLMNJGSKDF-AWEZNQCLSA-N 1 2 337.424 0.320 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2ccc(O)cc2)CC1 ZINC000183572515 437387296 /nfs/dbraw/zinc/38/72/96/437387296.db2.gz QGWYBWVLRGSYOC-RMKNXTFCSA-N 1 2 341.411 0.689 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2ccc(O)cc2)CC1 ZINC000183572515 437387297 /nfs/dbraw/zinc/38/72/97/437387297.db2.gz QGWYBWVLRGSYOC-RMKNXTFCSA-N 1 2 341.411 0.689 20 30 ECEDLO CC[C@H](NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C(=O)N1CCOCC1 ZINC000329599397 437388728 /nfs/dbraw/zinc/38/87/28/437388728.db2.gz JUJUNHMUCSUOTO-NEPJUHHUSA-N 1 2 335.408 0.408 20 30 ECEDLO CC[C@H](NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C(=O)N1CCOCC1 ZINC000329599397 437388732 /nfs/dbraw/zinc/38/87/32/437388732.db2.gz JUJUNHMUCSUOTO-NEPJUHHUSA-N 1 2 335.408 0.408 20 30 ECEDLO C[C@]1(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCOC1 ZINC000329652294 437396277 /nfs/dbraw/zinc/39/62/77/437396277.db2.gz DGOQZXLXBGSXJN-BBRMVZONSA-N 1 2 325.409 0.303 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2cc(OC)ncn2)CC1 ZINC000184063178 437396915 /nfs/dbraw/zinc/39/69/15/437396915.db2.gz UNLZUTCCQRHMKX-AWEZNQCLSA-N 1 2 346.435 0.615 20 30 ECEDLO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000330257113 437476403 /nfs/dbraw/zinc/47/64/03/437476403.db2.gz LEMFJINJFWVRQX-UONOGXRCSA-N 1 2 348.451 0.692 20 30 ECEDLO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000330257113 437476405 /nfs/dbraw/zinc/47/64/05/437476405.db2.gz LEMFJINJFWVRQX-UONOGXRCSA-N 1 2 348.451 0.692 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cccnc3N3CCOCC3)C[C@@H]21 ZINC000329926030 437433329 /nfs/dbraw/zinc/43/33/29/437433329.db2.gz KHHJVIQQPZKWLD-LSDHHAIUSA-N 1 2 347.419 0.479 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cccnc3N3CCOCC3)C[C@@H]21 ZINC000329926030 437433331 /nfs/dbraw/zinc/43/33/31/437433331.db2.gz KHHJVIQQPZKWLD-LSDHHAIUSA-N 1 2 347.419 0.479 20 30 ECEDLO C=CCCCNC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000289726363 437437220 /nfs/dbraw/zinc/43/72/20/437437220.db2.gz KDRVGGYZENMXDQ-CYBMUJFWSA-N 1 2 325.409 0.165 20 30 ECEDLO C=CCCCNC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000289726363 437437222 /nfs/dbraw/zinc/43/72/22/437437222.db2.gz KDRVGGYZENMXDQ-CYBMUJFWSA-N 1 2 325.409 0.165 20 30 ECEDLO Cc1nccc(CNC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)n1 ZINC000329966307 437437263 /nfs/dbraw/zinc/43/72/63/437437263.db2.gz RSHXOAAPPNMRTD-CQSZACIVSA-N 1 2 329.408 0.921 20 30 ECEDLO CC(=O)N1CCC[C@H](CNC(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000329968094 437439833 /nfs/dbraw/zinc/43/98/33/437439833.db2.gz SXYOKPOGVNUEAV-OAHLLOKOSA-N 1 2 340.468 0.859 20 30 ECEDLO CC(=O)N1CCC[C@H](CNC(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000329968094 437439838 /nfs/dbraw/zinc/43/98/38/437439838.db2.gz SXYOKPOGVNUEAV-OAHLLOKOSA-N 1 2 340.468 0.859 20 30 ECEDLO C=CCOCC[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000339113739 437442908 /nfs/dbraw/zinc/44/29/08/437442908.db2.gz LVDHJOXNUBHOJV-UHFFFAOYSA-N 1 2 345.387 0.640 20 30 ECEDLO C[C@H](CN1CCCC1=O)NC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000329995495 437443301 /nfs/dbraw/zinc/44/33/01/437443301.db2.gz NGWXBTGVJBUDCH-KGLIPLIRSA-N 1 2 348.451 0.634 20 30 ECEDLO O=C(NCC[NH+]1CCOCC1)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000330058156 437448221 /nfs/dbraw/zinc/44/82/21/437448221.db2.gz YNRLQTRTVRCPJX-OAHLLOKOSA-N 1 2 327.425 0.503 20 30 ECEDLO Cc1c[nH+]ccc1CC[NH+]=C([O-])N1CCc2c(ncn(C)c2=O)C1 ZINC000330060055 437449433 /nfs/dbraw/zinc/44/94/33/437449433.db2.gz MBFNGDDKYWGTRX-UHFFFAOYSA-N 1 2 327.388 0.999 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCO[C@H](C3CC3)C2)CC1 ZINC000330111416 437455612 /nfs/dbraw/zinc/45/56/12/437455612.db2.gz BANRUEAJHKHJRY-IRXDYDNUSA-N 1 2 334.464 0.790 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCO[C@H](C3CC3)C2)CC1 ZINC000330111416 437455614 /nfs/dbraw/zinc/45/56/14/437455614.db2.gz BANRUEAJHKHJRY-IRXDYDNUSA-N 1 2 334.464 0.790 20 30 ECEDLO C[C@@H](NC(=O)C[N@@H+]1CCc2n[nH]c(=O)cc2C1)C(=O)N1CCCCC1 ZINC000330132865 437458340 /nfs/dbraw/zinc/45/83/40/437458340.db2.gz GGTPLOHIIVJLFL-GFCCVEGCSA-N 1 2 347.419 0.898 20 30 ECEDLO C[C@@H](NC(=O)C[N@H+]1CCc2n[nH]c(=O)cc2C1)C(=O)N1CCCCC1 ZINC000330132865 437458343 /nfs/dbraw/zinc/45/83/43/437458343.db2.gz GGTPLOHIIVJLFL-GFCCVEGCSA-N 1 2 347.419 0.898 20 30 ECEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2CC(=O)N(C)C2)CC1 ZINC000330147936 437459445 /nfs/dbraw/zinc/45/94/45/437459445.db2.gz UJQRFJQCHPWDLP-DGCLKSJQSA-N 1 2 337.424 0.256 20 30 ECEDLO Cc1nccc(NC(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1 ZINC000330167589 437463232 /nfs/dbraw/zinc/46/32/32/437463232.db2.gz ZCMCTXWUZZUMEE-ZDUSSCGKSA-N 1 2 346.435 0.959 20 30 ECEDLO CC(C)CN1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1=O ZINC000330191527 437465823 /nfs/dbraw/zinc/46/58/23/437465823.db2.gz XCIAOFNTTMACIY-HUUCEWRRSA-N 1 2 340.468 0.810 20 30 ECEDLO CNS(=O)(=O)C1CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000339498377 437469370 /nfs/dbraw/zinc/46/93/70/437469370.db2.gz QVYIFTTYWZTADV-SWLSCSKDSA-N 1 2 344.481 0.443 20 30 ECEDLO CC(C)(CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)[NH+]1CCOCC1 ZINC000290528584 437497092 /nfs/dbraw/zinc/49/70/92/437497092.db2.gz QXVSKMCZLYNKEI-UHFFFAOYSA-N 1 2 348.378 0.863 20 30 ECEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)c(F)c3)C[C@H]21 ZINC000290582103 437502116 /nfs/dbraw/zinc/50/21/16/437502116.db2.gz UTINTMPZYMEHLW-CABCVRRESA-N 1 2 346.362 0.567 20 30 ECEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)c(F)c3)C[C@H]21 ZINC000290582103 437502123 /nfs/dbraw/zinc/50/21/23/437502123.db2.gz UTINTMPZYMEHLW-CABCVRRESA-N 1 2 346.362 0.567 20 30 ECEDLO C=CCCCCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000339901338 437516341 /nfs/dbraw/zinc/51/63/41/437516341.db2.gz YLVIIVQDEVZQLV-OAHLLOKOSA-N 1 2 325.453 0.932 20 30 ECEDLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1 ZINC000290710346 437519275 /nfs/dbraw/zinc/51/92/75/437519275.db2.gz GRNKYJFWBNGDNF-UHFFFAOYSA-N 1 2 334.351 0.426 20 30 ECEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000330534012 437541434 /nfs/dbraw/zinc/54/14/34/437541434.db2.gz UMGWTKHATVSTAE-NSHDSACASA-N 1 2 336.417 0.638 20 30 ECEDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000330625854 437571615 /nfs/dbraw/zinc/57/16/15/437571615.db2.gz ICUVALWPVXCNFY-WDEREUQCSA-N 1 2 348.469 0.217 20 30 ECEDLO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000330625854 437571619 /nfs/dbraw/zinc/57/16/19/437571619.db2.gz ICUVALWPVXCNFY-WDEREUQCSA-N 1 2 348.469 0.217 20 30 ECEDLO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1c[nH+]cn1C ZINC000291262994 437575066 /nfs/dbraw/zinc/57/50/66/437575066.db2.gz PPKRSEJJFWDVRM-NSHDSACASA-N 1 2 347.400 0.275 20 30 ECEDLO CNS(=O)(=O)c1cccc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000330644498 437578023 /nfs/dbraw/zinc/57/80/23/437578023.db2.gz SSBZODZCOCWAKA-GFCCVEGCSA-N 1 2 342.421 0.251 20 30 ECEDLO CNS(=O)(=O)c1cccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000330644498 437578027 /nfs/dbraw/zinc/57/80/27/437578027.db2.gz SSBZODZCOCWAKA-GFCCVEGCSA-N 1 2 342.421 0.251 20 30 ECEDLO CC(C)OCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000330674983 437587966 /nfs/dbraw/zinc/58/79/66/437587966.db2.gz RCWVBMLRZLBDMR-UHFFFAOYSA-N 1 2 327.406 0.883 20 30 ECEDLO C=C[C@H](CO)NC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000354665024 437645796 /nfs/dbraw/zinc/64/57/96/437645796.db2.gz DOZUFUAXZNWEDY-UKRRQHHQSA-N 1 2 347.415 0.681 20 30 ECEDLO CNS(=O)(=O)c1ccc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cn1 ZINC000331024994 437673094 /nfs/dbraw/zinc/67/30/94/437673094.db2.gz UBERPXWIWNJRPE-NSHDSACASA-N 1 2 342.421 0.015 20 30 ECEDLO CNS(=O)(=O)c1ccc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)cn1 ZINC000331024994 437673098 /nfs/dbraw/zinc/67/30/98/437673098.db2.gz UBERPXWIWNJRPE-NSHDSACASA-N 1 2 342.421 0.015 20 30 ECEDLO CCOC(=O)C1(O)CC[NH+](CC(=O)NC(=O)NC(C)(C)C)CC1 ZINC000330980615 437664609 /nfs/dbraw/zinc/66/46/09/437664609.db2.gz JMTDIUFPDVFOQJ-UHFFFAOYSA-N 1 2 329.397 0.205 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cnn2ncccc12 ZINC000361496393 437665167 /nfs/dbraw/zinc/66/51/67/437665167.db2.gz UHYXFPQDCJAVLO-UHFFFAOYSA-N 1 2 328.376 0.417 20 30 ECEDLO CO[C@@H]1CC[C@H](NC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)C1 ZINC000331008465 437669614 /nfs/dbraw/zinc/66/96/14/437669614.db2.gz QXNPIFRQIGFRAS-YNEHKIRRSA-N 1 2 328.413 0.636 20 30 ECEDLO CO[C@@H]1CC[C@H](NC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC000331008465 437669620 /nfs/dbraw/zinc/66/96/20/437669620.db2.gz QXNPIFRQIGFRAS-YNEHKIRRSA-N 1 2 328.413 0.636 20 30 ECEDLO CC(C)N1C[C@H](NC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1=O ZINC000331172963 437706631 /nfs/dbraw/zinc/70/66/31/437706631.db2.gz IWRNQLXGKMHIRD-CYBMUJFWSA-N 1 2 326.441 0.610 20 30 ECEDLO CC(C)N1C[C@H](NC(=O)NCC[N@H+]2CCOCC2(C)C)CC1=O ZINC000331172963 437706635 /nfs/dbraw/zinc/70/66/35/437706635.db2.gz IWRNQLXGKMHIRD-CYBMUJFWSA-N 1 2 326.441 0.610 20 30 ECEDLO CSc1[nH]c(=O)c(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1C#N ZINC000331187556 437709921 /nfs/dbraw/zinc/70/99/21/437709921.db2.gz UDWJOEHPUVAZBQ-JTQLQIEISA-N 1 2 336.417 0.519 20 30 ECEDLO CSc1[nH]c(=O)c(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1C#N ZINC000331187556 437709924 /nfs/dbraw/zinc/70/99/24/437709924.db2.gz UDWJOEHPUVAZBQ-JTQLQIEISA-N 1 2 336.417 0.519 20 30 ECEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000362049543 437713953 /nfs/dbraw/zinc/71/39/53/437713953.db2.gz WZSJZFPPAOPDLR-GFCCVEGCSA-N 1 2 341.433 0.795 20 30 ECEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000362049543 437713958 /nfs/dbraw/zinc/71/39/58/437713958.db2.gz WZSJZFPPAOPDLR-GFCCVEGCSA-N 1 2 341.433 0.795 20 30 ECEDLO CC(C)N1C[C@H](NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1=O ZINC000331208771 437716129 /nfs/dbraw/zinc/71/61/29/437716129.db2.gz ZYLSMJCYBCHRLM-CYBMUJFWSA-N 1 2 326.441 0.610 20 30 ECEDLO CC(C)N1C[C@H](NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1=O ZINC000331208771 437716132 /nfs/dbraw/zinc/71/61/32/437716132.db2.gz ZYLSMJCYBCHRLM-CYBMUJFWSA-N 1 2 326.441 0.610 20 30 ECEDLO COC(=O)[C@H]1CC[C@@H](NC(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000331207165 437716874 /nfs/dbraw/zinc/71/68/74/437716874.db2.gz DXPNGDMHJQADCT-QWHCGFSZSA-N 1 2 327.425 0.943 20 30 ECEDLO COC(=O)[C@H]1CC[C@@H](NC(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000331207165 437716879 /nfs/dbraw/zinc/71/68/79/437716879.db2.gz DXPNGDMHJQADCT-QWHCGFSZSA-N 1 2 327.425 0.943 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000331243459 437725386 /nfs/dbraw/zinc/72/53/86/437725386.db2.gz ODLBDMOWVUBNQP-ZIAGYGMSSA-N 1 2 342.465 0.247 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000331243459 437725389 /nfs/dbraw/zinc/72/53/89/437725389.db2.gz ODLBDMOWVUBNQP-ZIAGYGMSSA-N 1 2 342.465 0.247 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@@H]2CCCCNC2=O)CC1 ZINC000362306842 437729144 /nfs/dbraw/zinc/72/91/44/437729144.db2.gz QPPWTZFADWKKJL-HZPDHXFCSA-N 1 2 349.479 0.279 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CCCCNC2=O)CC1 ZINC000362306842 437729149 /nfs/dbraw/zinc/72/91/49/437729149.db2.gz QPPWTZFADWKKJL-HZPDHXFCSA-N 1 2 349.479 0.279 20 30 ECEDLO CC[C@H](C)[C@@H](NC(=O)CCCC#N)C(=O)NCC[NH+]1CCOCC1 ZINC000362778473 437752805 /nfs/dbraw/zinc/75/28/05/437752805.db2.gz AVXOAKAIGKGLDM-GOEBONIOSA-N 1 2 338.452 0.660 20 30 ECEDLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000364607828 437818635 /nfs/dbraw/zinc/81/86/35/437818635.db2.gz PFOSJXOBLYFVPL-DGCLKSJQSA-N 1 2 337.401 0.947 20 30 ECEDLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000364607828 437818637 /nfs/dbraw/zinc/81/86/37/437818637.db2.gz PFOSJXOBLYFVPL-DGCLKSJQSA-N 1 2 337.401 0.947 20 30 ECEDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000345153660 437782361 /nfs/dbraw/zinc/78/23/61/437782361.db2.gz VLOXFEJHFKHAFM-AWEZNQCLSA-N 1 2 344.371 0.250 20 30 ECEDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000345153660 437782367 /nfs/dbraw/zinc/78/23/67/437782367.db2.gz VLOXFEJHFKHAFM-AWEZNQCLSA-N 1 2 344.371 0.250 20 30 ECEDLO CC(C)[C@H](CNS(=O)(=O)CC1(CC#N)CC1)[NH+]1CCOCC1 ZINC000346467788 437810204 /nfs/dbraw/zinc/81/02/04/437810204.db2.gz UEBDHAUZHSIWAS-AWEZNQCLSA-N 1 2 329.466 0.956 20 30 ECEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346450894 437811169 /nfs/dbraw/zinc/81/11/69/437811169.db2.gz XXOXMERUFBNQDS-OLZOCXBDSA-N 1 2 342.465 0.339 20 30 ECEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346450894 437811174 /nfs/dbraw/zinc/81/11/74/437811174.db2.gz XXOXMERUFBNQDS-OLZOCXBDSA-N 1 2 342.465 0.339 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000370666419 437815859 /nfs/dbraw/zinc/81/58/59/437815859.db2.gz HENSUYDGIRNRPE-MCIONIFRSA-N 1 2 334.420 0.307 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000370666419 437815865 /nfs/dbraw/zinc/81/58/65/437815865.db2.gz HENSUYDGIRNRPE-MCIONIFRSA-N 1 2 334.420 0.307 20 30 ECEDLO C=CC[C@@H](CO)CNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 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ECEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000408005843 438484063 /nfs/dbraw/zinc/48/40/63/438484063.db2.gz SUQOVAUFKLAVFC-NWDGAFQWSA-N 1 2 328.438 0.080 20 30 ECEDLO C[C@H]1OCC[C@@]12C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H](C)O2 ZINC000369297260 438450254 /nfs/dbraw/zinc/45/02/54/438450254.db2.gz DDRPOBMHODBGFK-BFYDXBDKSA-N 1 2 334.420 0.911 20 30 ECEDLO C[C@H]1OCC[C@@]12C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H](C)O2 ZINC000369297260 438450258 /nfs/dbraw/zinc/45/02/58/438450258.db2.gz DDRPOBMHODBGFK-BFYDXBDKSA-N 1 2 334.420 0.911 20 30 ECEDLO C#CCSCCNC(=O)N1CCC[N@H+](CC(=O)NC(C)C)CC1 ZINC000369608411 438496519 /nfs/dbraw/zinc/49/65/19/438496519.db2.gz ZBUHWAOOBAERIA-UHFFFAOYSA-N 1 2 340.493 0.595 20 30 ECEDLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)CCCCC#N)CC1 ZINC000353430678 438507427 /nfs/dbraw/zinc/50/74/27/438507427.db2.gz RASLPDHXYOEPJZ-ZDUSSCGKSA-N 1 2 331.438 0.579 20 30 ECEDLO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000408425927 438572313 /nfs/dbraw/zinc/57/23/13/438572313.db2.gz IBCIHUAGXGSEHU-HNNXBMFYSA-N 1 2 342.399 0.642 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCCC2)CC[N@@H+]1CCO ZINC000408365961 438562527 /nfs/dbraw/zinc/56/25/27/438562527.db2.gz JHIJISYSMGAGBG-CQSZACIVSA-N 1 2 329.466 0.789 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCCC2)CC[N@H+]1CCO ZINC000408365961 438562531 /nfs/dbraw/zinc/56/25/31/438562531.db2.gz JHIJISYSMGAGBG-CQSZACIVSA-N 1 2 329.466 0.789 20 30 ECEDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000442645544 438614442 /nfs/dbraw/zinc/61/44/42/438614442.db2.gz GBCVHVZHNXOWCG-LBPRGKRZSA-N 1 2 331.372 0.973 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000444789584 438662954 /nfs/dbraw/zinc/66/29/54/438662954.db2.gz FFAIZNSFLYFMNO-UONOGXRCSA-N 1 2 329.466 0.894 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000444789584 438662959 /nfs/dbraw/zinc/66/29/59/438662959.db2.gz FFAIZNSFLYFMNO-UONOGXRCSA-N 1 2 329.466 0.894 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000410913447 438668173 /nfs/dbraw/zinc/66/81/73/438668173.db2.gz XGVBOAFOWZTZMN-UHFFFAOYSA-N 1 2 341.452 0.217 20 30 ECEDLO CO[C@H]1COCC[C@@H]1CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000448838370 438685430 /nfs/dbraw/zinc/68/54/30/438685430.db2.gz XYQUATGLPFSQBZ-CVEARBPZSA-N 1 2 339.436 0.502 20 30 ECEDLO C[C@@H](C#N)S(=O)(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000496995337 438754806 /nfs/dbraw/zinc/75/48/06/438754806.db2.gz IOVAAPJBCXPDEO-NWDGAFQWSA-N 1 2 346.453 0.369 20 30 ECEDLO C[C@@H](C#N)S(=O)(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000496995337 438754808 /nfs/dbraw/zinc/75/48/08/438754808.db2.gz IOVAAPJBCXPDEO-NWDGAFQWSA-N 1 2 346.453 0.369 20 30 ECEDLO N#C[C@H]1CC[C@@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000575863588 438758842 /nfs/dbraw/zinc/75/88/42/438758842.db2.gz TXPBZQWIDCIQDY-LSDHHAIUSA-N 1 2 333.436 0.628 20 30 ECEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)NCC(=O)NCC#N)c1ccccc1 ZINC000588747632 438838279 /nfs/dbraw/zinc/83/82/79/438838279.db2.gz XMUTYQVXSZRGAF-CQSZACIVSA-N 1 2 340.387 0.643 20 30 ECEDLO N#CCCN1CCN(C(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000601449199 438897612 /nfs/dbraw/zinc/89/76/12/438897612.db2.gz WRIFENJNDCIYOP-OAHLLOKOSA-N 1 2 344.419 0.104 20 30 ECEDLO CC[C@H](CC#N)[NH2+]CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000563365905 438865279 /nfs/dbraw/zinc/86/52/79/438865279.db2.gz OEKJDLTYDVNJLN-CQSZACIVSA-N 1 2 337.468 0.327 20 30 ECEDLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000595823607 438866581 /nfs/dbraw/zinc/86/65/81/438866581.db2.gz OXJFLAKUAHSBAW-CABCVRRESA-N 1 2 329.404 0.772 20 30 ECEDLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000595823607 438866585 /nfs/dbraw/zinc/86/65/85/438866585.db2.gz OXJFLAKUAHSBAW-CABCVRRESA-N 1 2 329.404 0.772 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000595902150 438882759 /nfs/dbraw/zinc/88/27/59/438882759.db2.gz HLOZPSPJUIKOJF-LLVKDONJSA-N 1 2 330.388 0.544 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000595902150 438882763 /nfs/dbraw/zinc/88/27/63/438882763.db2.gz HLOZPSPJUIKOJF-LLVKDONJSA-N 1 2 330.388 0.544 20 30 ECEDLO C=C[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000516134169 438893015 /nfs/dbraw/zinc/89/30/15/438893015.db2.gz RNDLXIJFYPOISS-HZPDHXFCSA-N 1 2 335.448 0.734 20 30 ECEDLO Cn1ncc2c1nc(N)[nH+]c2N1CCN(c2cccc(C#N)n2)CC1 ZINC000565227743 438929957 /nfs/dbraw/zinc/92/99/57/438929957.db2.gz ATHCQYYHKKYRQD-UHFFFAOYSA-N 1 2 335.375 0.539 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCn3c[nH+]cc3C2)CC1 ZINC000590600348 438939505 /nfs/dbraw/zinc/93/95/05/438939505.db2.gz USJKNFXOKBOQMR-MRXNPFEDSA-N 1 2 330.436 0.391 20 30 ECEDLO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1nnn(CC(F)(F)F)n1 ZINC000578711165 438945030 /nfs/dbraw/zinc/94/50/30/438945030.db2.gz BKOZZXNYFJZQJC-UHFFFAOYSA-N 1 2 343.317 0.477 20 30 ECEDLO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1nnn(CC(F)(F)F)n1 ZINC000578711165 438945037 /nfs/dbraw/zinc/94/50/37/438945037.db2.gz BKOZZXNYFJZQJC-UHFFFAOYSA-N 1 2 343.317 0.477 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C3CC3)C3COC3)CC2)o1 ZINC000590745254 438953968 /nfs/dbraw/zinc/95/39/68/438953968.db2.gz QQPGLNQSWDMWBY-UHFFFAOYSA-N 1 2 345.403 0.367 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C3CC3)C3COC3)CC2)o1 ZINC000590745254 438953972 /nfs/dbraw/zinc/95/39/72/438953972.db2.gz QQPGLNQSWDMWBY-UHFFFAOYSA-N 1 2 345.403 0.367 20 30 ECEDLO CC(C)Cn1c(N)c(C(=O)C[NH2+][C@H]2CCC[C@H]2C#N)c(=O)[nH]c1=O ZINC000459464405 438970161 /nfs/dbraw/zinc/97/01/61/438970161.db2.gz MEORHSJNLDFIHK-QWRGUYRKSA-N 1 2 333.392 0.652 20 30 ECEDLO C=C(C)C[C@@H](NC(=O)C[NH+]1CCN(c2ccccn2)CC1)C(=O)OC ZINC000601783702 438971303 /nfs/dbraw/zinc/97/13/03/438971303.db2.gz YGUBQOLHZUOCRH-OAHLLOKOSA-N 1 2 346.431 0.828 20 30 ECEDLO Cc1sc2ncc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(=O)n2c1C ZINC000579013476 438974658 /nfs/dbraw/zinc/97/46/58/438974658.db2.gz COGIAIPUBOIAIO-HNNXBMFYSA-N 1 2 333.417 0.947 20 30 ECEDLO COc1cc(C#N)ccc1NC(=O)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000579297417 438997131 /nfs/dbraw/zinc/99/71/31/438997131.db2.gz SXOQBIPPTGOFOC-NSHDSACASA-N 1 2 339.355 0.902 20 30 ECEDLO COc1cc(C#N)ccc1NC(=O)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000579297417 438997135 /nfs/dbraw/zinc/99/71/35/438997135.db2.gz SXOQBIPPTGOFOC-NSHDSACASA-N 1 2 339.355 0.902 20 30 ECEDLO COc1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@H](OC)CS3(=O)=O)ccc1C#N ZINC000597215682 439057908 /nfs/dbraw/zinc/05/79/08/439057908.db2.gz KPDBQXKRXIACJW-IMJJTQAJSA-N 1 2 336.413 0.811 20 30 ECEDLO COc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@H](OC)CS3(=O)=O)ccc1C#N ZINC000597215682 439057914 /nfs/dbraw/zinc/05/79/14/439057914.db2.gz KPDBQXKRXIACJW-IMJJTQAJSA-N 1 2 336.413 0.811 20 30 ECEDLO N#CC1(CNC(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)CC1 ZINC000602307964 439061727 /nfs/dbraw/zinc/06/17/27/439061727.db2.gz VXGOSUQASBAQMT-HNNXBMFYSA-N 1 2 329.404 0.885 20 30 ECEDLO N#CC1(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)CC1 ZINC000602307964 439061733 /nfs/dbraw/zinc/06/17/33/439061733.db2.gz VXGOSUQASBAQMT-HNNXBMFYSA-N 1 2 329.404 0.885 20 30 ECEDLO CON1CCC(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)CC1 ZINC000597020131 439030843 /nfs/dbraw/zinc/03/08/43/439030843.db2.gz FUKIDVMWBSMZNC-UHFFFAOYSA-N 1 2 338.452 0.724 20 30 ECEDLO C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N[C@](C)(C#N)C[NH+](C)C)C2=O ZINC000566308112 439040317 /nfs/dbraw/zinc/04/03/17/439040317.db2.gz CPBURNNZKRYDAP-JLZZUVOBSA-N 1 2 349.435 0.447 20 30 ECEDLO COCc1nccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000597080913 439040320 /nfs/dbraw/zinc/04/03/20/439040320.db2.gz WAOPLHIDSBWHMN-UHFFFAOYSA-N 1 2 348.407 0.703 20 30 ECEDLO N#CC1(CNC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCCCC1 ZINC000597400175 439092947 /nfs/dbraw/zinc/09/29/47/439092947.db2.gz VNSLXUCCXROOKT-OAHLLOKOSA-N 1 2 348.447 0.510 20 30 ECEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000592149252 439167255 /nfs/dbraw/zinc/16/72/55/439167255.db2.gz LMBWWPUTTQFVAO-INIZCTEOSA-N 1 2 330.344 0.834 20 30 ECEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000592149252 439167259 /nfs/dbraw/zinc/16/72/59/439167259.db2.gz LMBWWPUTTQFVAO-INIZCTEOSA-N 1 2 330.344 0.834 20 30 ECEDLO Cc1cccc2[nH+]c(CCNc3c(C#N)c(=O)n(C)c(=O)n3C)cn21 ZINC000592006612 439130506 /nfs/dbraw/zinc/13/05/06/439130506.db2.gz PNUVYSISDQQVGP-UHFFFAOYSA-N 1 2 338.371 0.566 20 30 ECEDLO C[C@@H]1C[N@@H+](CC(=O)NC(=O)NCc2cccs2)C[C@H](C)N1CC#N ZINC000602858693 439146564 /nfs/dbraw/zinc/14/65/64/439146564.db2.gz UTDZRNXAFZTHMT-BETUJISGSA-N 1 2 349.460 0.992 20 30 ECEDLO C[C@@H]1C[N@H+](CC(=O)NC(=O)NCc2cccs2)C[C@H](C)N1CC#N ZINC000602858693 439146568 /nfs/dbraw/zinc/14/65/68/439146568.db2.gz UTDZRNXAFZTHMT-BETUJISGSA-N 1 2 349.460 0.992 20 30 ECEDLO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C1 ZINC000602858483 439148249 /nfs/dbraw/zinc/14/82/49/439148249.db2.gz BKWXQEGYKQBBIR-LZWOXQAQSA-N 1 2 335.452 0.032 20 30 ECEDLO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C1 ZINC000602858483 439148255 /nfs/dbraw/zinc/14/82/55/439148255.db2.gz BKWXQEGYKQBBIR-LZWOXQAQSA-N 1 2 335.452 0.032 20 30 ECEDLO COC(=O)[C@]1(C)C[C@@H](OC)C[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000602930133 439162321 /nfs/dbraw/zinc/16/23/21/439162321.db2.gz HRNBQSTYFRVTDE-KYJSFNMBSA-N 1 2 348.399 0.950 20 30 ECEDLO COC(=O)[C@]1(C)C[C@@H](OC)C[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000602930133 439162326 /nfs/dbraw/zinc/16/23/26/439162326.db2.gz HRNBQSTYFRVTDE-KYJSFNMBSA-N 1 2 348.399 0.950 20 30 ECEDLO COCCNC(=O)C[NH+]1CCN(c2ccc(C#N)cc2COC)CC1 ZINC000603272157 439224680 /nfs/dbraw/zinc/22/46/80/439224680.db2.gz GKLMEJVRCKOFOI-UHFFFAOYSA-N 1 2 346.431 0.589 20 30 ECEDLO N#Cc1ccc(N2CCN(S(=O)(=O)CCn3cc[nH+]c3)CC2)nc1 ZINC000603274827 439226254 /nfs/dbraw/zinc/22/62/54/439226254.db2.gz JMTFEDGSDGVKEJ-UHFFFAOYSA-N 1 2 346.416 0.302 20 30 ECEDLO CN(CCCNC(=O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N)S(C)(=O)=O ZINC000602977400 439175935 /nfs/dbraw/zinc/17/59/35/439175935.db2.gz ASZFQTILCFNZEX-OLZOCXBDSA-N 1 2 330.454 0.008 20 30 ECEDLO CN(CCCNC(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N)S(C)(=O)=O ZINC000602977400 439175941 /nfs/dbraw/zinc/17/59/41/439175941.db2.gz ASZFQTILCFNZEX-OLZOCXBDSA-N 1 2 330.454 0.008 20 30 ECEDLO COCC[N@H+](C)Cc1cn([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nn1 ZINC000603174988 439200845 /nfs/dbraw/zinc/20/08/45/439200845.db2.gz JOPJRNWUPXKXLI-BBRMVZONSA-N 1 2 336.440 0.972 20 30 ECEDLO COCC[N@@H+](C)Cc1cn([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nn1 ZINC000603174988 439200848 /nfs/dbraw/zinc/20/08/48/439200848.db2.gz JOPJRNWUPXKXLI-BBRMVZONSA-N 1 2 336.440 0.972 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2cccc(C(=O)OC)c2)nn1 ZINC000603179191 439203307 /nfs/dbraw/zinc/20/33/07/439203307.db2.gz IBHHXFYIOLRGHM-UHFFFAOYSA-N 1 2 341.371 0.816 20 30 ECEDLO N#Cc1cncnc1NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000581366651 439203756 /nfs/dbraw/zinc/20/37/56/439203756.db2.gz OIAVFRFSRPMYNF-UHFFFAOYSA-N 1 2 337.387 0.316 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N2CCC(C(=O)OC)CC2)nn1 ZINC000603200745 439207440 /nfs/dbraw/zinc/20/74/40/439207440.db2.gz VFXFNNRKBMKKCP-ZDUSSCGKSA-N 1 2 347.419 0.364 20 30 ECEDLO C=C[C@@H](C(=O)OC)n1cc(Cn2cc[nH+]c2CN2CCOCC2)nn1 ZINC000603233076 439213436 /nfs/dbraw/zinc/21/34/36/439213436.db2.gz HIBSIJAOMGWITF-AWEZNQCLSA-N 1 2 346.391 0.255 20 30 ECEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cc(C#N)ncn2)CC1 ZINC000582040461 439280557 /nfs/dbraw/zinc/28/05/57/439280557.db2.gz VGEKVABMVWSUDU-ZDUSSCGKSA-N 1 2 328.420 0.918 20 30 ECEDLO C#CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2[nH]cc[nH+]2)cc1 ZINC000490637768 439282048 /nfs/dbraw/zinc/28/20/48/439282048.db2.gz SRVOTVYAJYWUQM-UHFFFAOYSA-N 1 2 332.385 0.593 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C)nc2Cl)CC1 ZINC000490652412 439282374 /nfs/dbraw/zinc/28/23/74/439282374.db2.gz XAIAQGWPGMVVPT-UHFFFAOYSA-N 1 2 348.834 0.941 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C)nc2Cl)CC1 ZINC000490652412 439282377 /nfs/dbraw/zinc/28/23/77/439282377.db2.gz XAIAQGWPGMVVPT-UHFFFAOYSA-N 1 2 348.834 0.941 20 30 ECEDLO Cc1cc(NC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)ncc1C#N ZINC000581674892 439241212 /nfs/dbraw/zinc/24/12/12/439241212.db2.gz BSCHWWXHWVMJQC-UHFFFAOYSA-N 1 2 345.403 0.427 20 30 ECEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CCN(CCC#N)CC2)C1 ZINC000603391997 439252162 /nfs/dbraw/zinc/25/21/62/439252162.db2.gz FBGZKCNUQSXVDJ-UHFFFAOYSA-N 1 2 348.472 0.894 20 30 ECEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CCN(CCC#N)CC2)C1 ZINC000603391997 439252168 /nfs/dbraw/zinc/25/21/68/439252168.db2.gz FBGZKCNUQSXVDJ-UHFFFAOYSA-N 1 2 348.472 0.894 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC2CCC(=O)CC2)CC1 ZINC000490739560 439292695 /nfs/dbraw/zinc/29/26/95/439292695.db2.gz DZOCKFKGVUNCAV-UHFFFAOYSA-N 1 2 333.432 0.420 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC2CCC(=O)CC2)CC1 ZINC000490739560 439292701 /nfs/dbraw/zinc/29/27/01/439292701.db2.gz DZOCKFKGVUNCAV-UHFFFAOYSA-N 1 2 333.432 0.420 20 30 ECEDLO C#CCNS(=O)(=O)c1cccc(C(=O)NCc2[nH]c[nH+]c2C)c1 ZINC000490742006 439292907 /nfs/dbraw/zinc/29/29/07/439292907.db2.gz URLGAHRECZHTTF-UHFFFAOYSA-N 1 2 332.385 0.560 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCOC[C@H]2c2ccc(C)o2)CC1 ZINC000490779871 439298635 /nfs/dbraw/zinc/29/86/35/439298635.db2.gz BSJXVPSDZRIDDS-INIZCTEOSA-N 1 2 331.416 0.739 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CON=Cc2cc(OC)ccc2OC)CC1 ZINC000490799567 439300643 /nfs/dbraw/zinc/30/06/43/439300643.db2.gz ICUHPNWFVNQFHC-UHFFFAOYSA-N 1 2 345.399 0.832 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN[C@@H](C(=O)OC)c2ccccc2)CC1 ZINC000490841687 439302477 /nfs/dbraw/zinc/30/24/77/439302477.db2.gz WRZGTRZGXJLXMZ-QGZVFWFLSA-N 1 2 329.400 0.268 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCN(c3ncc(C)s3)CC2)CC1 ZINC000490850432 439302647 /nfs/dbraw/zinc/30/26/47/439302647.db2.gz AYEJRHNFGNCDKB-UHFFFAOYSA-N 1 2 347.488 0.351 20 30 ECEDLO C=CCn1cc(CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)nn1 ZINC000582662545 439363581 /nfs/dbraw/zinc/36/35/81/439363581.db2.gz USVRGSDEHVECQI-UHFFFAOYSA-N 1 2 341.419 0.887 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(CC(=O)OCc2ccccc2)CC1 ZINC000491180878 439344684 /nfs/dbraw/zinc/34/46/84/439344684.db2.gz OKILLHNDOQWQIU-UHFFFAOYSA-N 1 2 329.400 0.097 20 30 ECEDLO CN(CCc1[nH]c2ccccc2[nH+]1)c1c(C#N)c(=O)n(C)c(=O)n1C ZINC000599090608 439355703 /nfs/dbraw/zinc/35/57/03/439355703.db2.gz FXZZIHAMEWJGPH-UHFFFAOYSA-N 1 2 338.371 0.511 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc3c2OCC[C@H]3O)CC1 ZINC000491265944 439358008 /nfs/dbraw/zinc/35/80/08/439358008.db2.gz NGGQGPIJSVFPGO-MRXNPFEDSA-N 1 2 329.400 0.692 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2csc([C@@H](C)OC)n2)CC1 ZINC000491360349 439372229 /nfs/dbraw/zinc/37/22/29/439372229.db2.gz FMRXPYJFKHPUOQ-CYBMUJFWSA-N 1 2 336.461 0.718 20 30 ECEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000599194070 439376752 /nfs/dbraw/zinc/37/67/52/439376752.db2.gz ORJQESLGZPKWTM-CABCVRRESA-N 1 2 345.403 0.447 20 30 ECEDLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000599194070 439376755 /nfs/dbraw/zinc/37/67/55/439376755.db2.gz ORJQESLGZPKWTM-CABCVRRESA-N 1 2 345.403 0.447 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)N2CCC(C)(C)S(=O)(=O)CC2)CC1 ZINC000491629257 439413633 /nfs/dbraw/zinc/41/36/33/439413633.db2.gz WHZAEEIMDVYNSD-UHFFFAOYSA-N 1 2 326.462 0.757 20 30 ECEDLO C=CCn1c(CC)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000583155740 439427869 /nfs/dbraw/zinc/42/78/69/439427869.db2.gz IARHFPRLCIQHLV-ZDUSSCGKSA-N 1 2 332.452 0.816 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)COCC2CCCC2)CC1 ZINC000491713289 439431741 /nfs/dbraw/zinc/43/17/41/439431741.db2.gz ZWGKMWOLNQWXKC-UHFFFAOYSA-N 1 2 335.448 0.477 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)COCC2CCCC2)CC1 ZINC000491713289 439431744 /nfs/dbraw/zinc/43/17/44/439431744.db2.gz ZWGKMWOLNQWXKC-UHFFFAOYSA-N 1 2 335.448 0.477 20 30 ECEDLO C#C[C@@H]1COCCN1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000491568625 439409025 /nfs/dbraw/zinc/40/90/25/439409025.db2.gz REFUZXUYYJAHOB-OAHLLOKOSA-N 1 2 330.388 0.462 20 30 ECEDLO CCOC(=O)C[C@@H](O)C[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000599429077 439466585 /nfs/dbraw/zinc/46/65/85/439466585.db2.gz DRXNNIRGKQDSHD-GFCCVEGCSA-N 1 2 338.433 0.759 20 30 ECEDLO CC[C@](COC)([NH2+]C[C@H](O)CC1(C#N)CCOCC1)C(=O)OC ZINC000599437928 439467060 /nfs/dbraw/zinc/46/70/60/439467060.db2.gz UDHYSVLLTXNAOH-CZUORRHYSA-N 1 2 328.409 0.616 20 30 ECEDLO N#CCC(=O)N1CC[NH+](C[C@@H]2CN(c3ccccc3)CCO2)CC1 ZINC000594003444 439507293 /nfs/dbraw/zinc/50/72/93/439507293.db2.gz DEEYWRQDYNDPJN-QGZVFWFLSA-N 1 2 328.416 0.950 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CC(=O)N([C@H](C)C2CC2)C2CC2)CC1 ZINC000491814856 439457174 /nfs/dbraw/zinc/45/71/74/439457174.db2.gz OKQNIZJBEKYYAW-OAHLLOKOSA-N 1 2 346.475 0.143 20 30 ECEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000491820906 439457203 /nfs/dbraw/zinc/45/72/03/439457203.db2.gz ZAOGDXPTLJTAFN-INIZCTEOSA-N 1 2 325.412 0.998 20 30 ECEDLO Cn1cnnc1N1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000594024509 439509897 /nfs/dbraw/zinc/50/98/97/439509897.db2.gz LHMSYUCNPGEHJV-UHFFFAOYSA-N 1 2 327.348 0.917 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)CCCCC#N)CC1 ZINC000594282188 439534959 /nfs/dbraw/zinc/53/49/59/439534959.db2.gz GGVQKABPPXJBDC-OAHLLOKOSA-N 1 2 338.452 0.756 20 30 ECEDLO Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)ncc1C#N ZINC000594287503 439535339 /nfs/dbraw/zinc/53/53/39/439535339.db2.gz FJNXXEBJCNVCME-CHWSQXEVSA-N 1 2 345.403 0.426 20 30 ECEDLO C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594311628 439539706 /nfs/dbraw/zinc/53/97/06/439539706.db2.gz HZDFFHBAVNAOFE-RWMBFGLXSA-N 1 2 345.403 0.506 20 30 ECEDLO C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594311628 439539710 /nfs/dbraw/zinc/53/97/10/439539710.db2.gz HZDFFHBAVNAOFE-RWMBFGLXSA-N 1 2 345.403 0.506 20 30 ECEDLO CC(=O)NC1CC[NH+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC000609121611 439550906 /nfs/dbraw/zinc/55/09/06/439550906.db2.gz JJJQVSMFRXKSMI-MRXNPFEDSA-N 1 2 340.383 0.791 20 30 ECEDLO Cn1cc(Cl)c(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)n1 ZINC000572028828 439551829 /nfs/dbraw/zinc/55/18/29/439551829.db2.gz HANXJLLOFSFEEF-UHFFFAOYSA-N 1 2 339.808 0.904 20 30 ECEDLO CCN1C(=O)CO[C@H](C(=O)NCC(C)(C)C#N)[C@H]1c1[nH+]ccn1C ZINC000599756395 439551869 /nfs/dbraw/zinc/55/18/69/439551869.db2.gz LWDLGUMLGFNQSZ-STQMWFEESA-N 1 2 333.392 0.374 20 30 ECEDLO CCN1C(=O)CO[C@H](C(=O)N2CC[C@@](F)(C#N)C2)[C@H]1c1[nH+]ccn1C ZINC000599803010 439561063 /nfs/dbraw/zinc/56/10/63/439561063.db2.gz CNCMKZXPAMFVKD-HEHGZKQESA-N 1 2 349.366 0.173 20 30 ECEDLO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000599583377 439512379 /nfs/dbraw/zinc/51/23/79/439512379.db2.gz UVIAYSQCOYEDLF-UPJWGTAASA-N 1 2 326.393 0.714 20 30 ECEDLO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000599583377 439512382 /nfs/dbraw/zinc/51/23/82/439512382.db2.gz UVIAYSQCOYEDLF-UPJWGTAASA-N 1 2 326.393 0.714 20 30 ECEDLO C[C@@H](CNS(=O)(=O)c1ccc(C#N)nc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471544 439565851 /nfs/dbraw/zinc/56/58/51/439565851.db2.gz HVHUBMHXQZYUIU-RWMBFGLXSA-N 1 2 338.433 0.729 20 30 ECEDLO C[C@@H](CNS(=O)(=O)c1ccc(C#N)nc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471544 439565856 /nfs/dbraw/zinc/56/58/56/439565856.db2.gz HVHUBMHXQZYUIU-RWMBFGLXSA-N 1 2 338.433 0.729 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471496 439565869 /nfs/dbraw/zinc/56/58/69/439565869.db2.gz FQSSKSNXQCVFLP-LJISPDSOSA-N 1 2 346.497 0.800 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471496 439565876 /nfs/dbraw/zinc/56/58/76/439565876.db2.gz FQSSKSNXQCVFLP-LJISPDSOSA-N 1 2 346.497 0.800 20 30 ECEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1 ZINC000609486069 439571447 /nfs/dbraw/zinc/57/14/47/439571447.db2.gz CJHPHWGPQWMBQF-GOEBONIOSA-N 1 2 349.479 0.278 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000609458473 439571554 /nfs/dbraw/zinc/57/15/54/439571554.db2.gz DVLVEJCZTDSUKY-OAHLLOKOSA-N 1 2 339.403 0.968 20 30 ECEDLO N#CC1(CS(=O)(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000547331486 439573576 /nfs/dbraw/zinc/57/35/76/439573576.db2.gz TURCJYKWOJEFLW-ZIAGYGMSSA-N 1 2 327.450 0.853 20 30 ECEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000609539305 439576174 /nfs/dbraw/zinc/57/61/74/439576174.db2.gz XGHAEMCCJQQDCO-SJORKVTESA-N 1 2 349.479 0.279 20 30 ECEDLO N#CC1(CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)CCC1 ZINC000584666052 439606112 /nfs/dbraw/zinc/60/61/12/439606112.db2.gz IMXUFAQWIVETEI-UHFFFAOYSA-N 1 2 334.376 0.193 20 30 ECEDLO Cc1ncc([N+](=O)[O-])n1CCN(CCC#N)CC[NH+]1CCOCC1 ZINC000610782858 439646231 /nfs/dbraw/zinc/64/62/31/439646231.db2.gz BMFNZUMPEIMWSF-UHFFFAOYSA-N 1 2 336.396 0.648 20 30 ECEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000600419183 439653885 /nfs/dbraw/zinc/65/38/85/439653885.db2.gz FLXFGJIISJOLGC-GJZGRUSLSA-N 1 2 346.406 0.970 20 30 ECEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000600419183 439653890 /nfs/dbraw/zinc/65/38/90/439653890.db2.gz FLXFGJIISJOLGC-GJZGRUSLSA-N 1 2 346.406 0.970 20 30 ECEDLO Cc1nc(NC(=O)C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)ccc1C#N ZINC000595125913 439657513 /nfs/dbraw/zinc/65/75/13/439657513.db2.gz KQWYQFHNQHQFSZ-VXGBXAGGSA-N 1 2 345.403 0.426 20 30 ECEDLO Cc1nc(NC(=O)C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)ccc1C#N ZINC000595125913 439657516 /nfs/dbraw/zinc/65/75/16/439657516.db2.gz KQWYQFHNQHQFSZ-VXGBXAGGSA-N 1 2 345.403 0.426 20 30 ECEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000595126238 439658114 /nfs/dbraw/zinc/65/81/14/439658114.db2.gz NETRVXMDEGFOBN-OLZOCXBDSA-N 1 2 330.388 0.722 20 30 ECEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000595126238 439658117 /nfs/dbraw/zinc/65/81/17/439658117.db2.gz NETRVXMDEGFOBN-OLZOCXBDSA-N 1 2 330.388 0.722 20 30 ECEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595149180 439662544 /nfs/dbraw/zinc/66/25/44/439662544.db2.gz AHQWYLKLUYCKLW-OAHLLOKOSA-N 1 2 342.399 0.738 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@H]2CCN(CC[NH+]3CCOCC3)C2)s1 ZINC000610521813 439623479 /nfs/dbraw/zinc/62/34/79/439623479.db2.gz BHNKPVUXJWFJNV-ZDUSSCGKSA-N 1 2 334.445 0.756 20 30 ECEDLO COC(=O)CCN1CC[C@H]([NH+]2CCN([C@H](C#N)C(C)C)CC2)C1=O ZINC000595399989 439721240 /nfs/dbraw/zinc/72/12/40/439721240.db2.gz ZULGYKJUNYBQKG-LSDHHAIUSA-N 1 2 336.436 0.316 20 30 ECEDLO COCc1ccc(CNC(=O)C[NH+]2CCN(CCC#N)CC2)cc1 ZINC000611175681 439678084 /nfs/dbraw/zinc/67/80/84/439678084.db2.gz GIWQSUVVOYYTOI-UHFFFAOYSA-N 1 2 330.432 0.980 20 30 ECEDLO C[C@H](O)C(=O)N1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000611225667 439682827 /nfs/dbraw/zinc/68/28/27/439682827.db2.gz XDAXMQLFBJWOBU-GOEBONIOSA-N 1 2 347.415 0.017 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000574132118 439686064 /nfs/dbraw/zinc/68/60/64/439686064.db2.gz WNUOVUBYAGQJHR-IJEWVQPXSA-N 1 2 341.477 0.837 20 30 ECEDLO N#CCN1CCC(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000613861716 439765360 /nfs/dbraw/zinc/76/53/60/439765360.db2.gz BRJYEQLVDOSGAX-UHFFFAOYSA-N 1 2 342.447 0.897 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000645067768 440742896 /nfs/dbraw/zinc/74/28/96/440742896.db2.gz MXVSFVHTOLJUHA-XKQJLSEDSA-N 1 2 343.427 0.997 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000645067768 440742901 /nfs/dbraw/zinc/74/29/01/440742901.db2.gz MXVSFVHTOLJUHA-XKQJLSEDSA-N 1 2 343.427 0.997 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(CC(F)(F)CO)CC1 ZINC000639738969 440777882 /nfs/dbraw/zinc/77/78/82/440777882.db2.gz PLTIWRAFLGRAGC-CQSZACIVSA-N 1 2 331.407 0.821 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000661686547 440902457 /nfs/dbraw/zinc/90/24/57/440902457.db2.gz OXVIMCOSGXBISX-KGLIPLIRSA-N 1 2 331.482 0.765 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000661686547 440902461 /nfs/dbraw/zinc/90/24/61/440902461.db2.gz OXVIMCOSGXBISX-KGLIPLIRSA-N 1 2 331.482 0.765 20 30 ECEDLO C=CCCn1cc(C[NH2+][C@@H]2CCN(c3cc(C)nn3C)C2=O)nn1 ZINC000657379108 441003940 /nfs/dbraw/zinc/00/39/40/441003940.db2.gz QXYOIYGCVDXVRQ-CQSZACIVSA-N 1 2 329.408 0.791 20 30 ECEDLO COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547976242 322144004 /nfs/dbraw/zinc/14/40/04/322144004.db2.gz ZCLUARFMTIRJDQ-GFCCVEGCSA-N 1 2 339.355 0.833 20 30 ECEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000550230010 322166687 /nfs/dbraw/zinc/16/66/87/322166687.db2.gz XQVKXCVRWURTMF-ZDUSSCGKSA-N 1 2 346.416 0.979 20 30 ECEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000550230010 322166688 /nfs/dbraw/zinc/16/66/88/322166688.db2.gz XQVKXCVRWURTMF-ZDUSSCGKSA-N 1 2 346.416 0.979 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NCC[NH+]2CCC(O)CC2)c(F)c1 ZINC000577707035 322843365 /nfs/dbraw/zinc/84/33/65/322843365.db2.gz NPPZGINGKXDLQI-UHFFFAOYSA-N 1 2 327.381 0.432 20 30 ECEDLO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000328740071 546004437 /nfs/dbraw/zinc/00/44/37/546004437.db2.gz MXMHYWWFVLJYEX-ZIAGYGMSSA-N 1 2 347.481 0.868 20 30 ECEDLO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000328740071 546004438 /nfs/dbraw/zinc/00/44/38/546004438.db2.gz MXMHYWWFVLJYEX-ZIAGYGMSSA-N 1 2 347.481 0.868 20 30 ECEDLO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 ZINC000329116403 546014461 /nfs/dbraw/zinc/01/44/61/546014461.db2.gz NICGGHWPNHFQBP-HNNXBMFYSA-N 1 2 338.452 0.565 20 30 ECEDLO C[N@H+]1CCO[C@@H](CNC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 ZINC000329116403 546014468 /nfs/dbraw/zinc/01/44/68/546014468.db2.gz NICGGHWPNHFQBP-HNNXBMFYSA-N 1 2 338.452 0.565 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC000329694675 546031280 /nfs/dbraw/zinc/03/12/80/546031280.db2.gz CUDTYUKXCPIBBF-RDBSUJKOSA-N 1 2 347.481 0.112 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC000329694675 546031287 /nfs/dbraw/zinc/03/12/87/546031287.db2.gz CUDTYUKXCPIBBF-RDBSUJKOSA-N 1 2 347.481 0.112 20 30 ECEDLO C[C@@H](CNC(=O)CN1C(=O)NC(=O)C1(C)C)[NH+]1CCN(C)CC1 ZINC000329751925 546033973 /nfs/dbraw/zinc/03/39/73/546033973.db2.gz VXJPIBIHWKMZAM-NSHDSACASA-N 1 2 325.413 0.750 20 30 ECEDLO C=C(CNC(=O)CCn1ccnc1)CNC(=O)CCn1cc[nH+]c1 ZINC000620747900 546450795 /nfs/dbraw/zinc/45/07/95/546450795.db2.gz IYSQBMWMDZROHO-UHFFFAOYSA-N 1 2 330.392 0.349 20 30 ECEDLO C=CCN1CC[C@H](N2CCc3[nH+]c[nH]c3[C@H]2c2ccnn2C)C1=O ZINC000625499881 547125040 /nfs/dbraw/zinc/12/50/40/547125040.db2.gz NRKFMOYTLWAABA-GOEBONIOSA-N 1 2 326.404 0.878 20 30 ECEDLO C=C[C@](C)(O)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000668100720 547588772 /nfs/dbraw/zinc/58/87/72/547588772.db2.gz WAKBYWQNSSQHLL-SFHVURJKSA-N 1 2 347.415 0.624 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000668365739 547636251 /nfs/dbraw/zinc/63/62/51/547636251.db2.gz TYLLCZJMAMCWIP-OAHLLOKOSA-N 1 2 333.436 0.535 20 30 ECEDLO C#CCOc1ccc(C(=O)N2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000749395572 579337806 /nfs/dbraw/zinc/33/78/06/579337806.db2.gz BIOGWFGLIQNZJY-UHFFFAOYSA-N 1 2 339.399 0.748 20 30 ECEDLO Cn1c(N)c(C=[NH+]Nc2ccc(OC(F)F)cc2)c(=O)n(C)c1=O ZINC000749815960 579343699 /nfs/dbraw/zinc/34/36/99/579343699.db2.gz TZVNKZMQFSGDRP-UHFFFAOYSA-N 1 2 339.302 0.714 20 30 ECEDLO C#CCOCCNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000752468461 579385717 /nfs/dbraw/zinc/38/57/17/579385717.db2.gz UQDPFGKSJMPAPC-UHFFFAOYSA-N 1 2 344.415 0.846 20 30 ECEDLO C[NH+]1CCN(S(=O)(=O)c2cccnc2N=NCc2cc[nH]n2)CC1 ZINC000755729669 579437996 /nfs/dbraw/zinc/43/79/96/579437996.db2.gz BMAKKOIAIHKBNG-UHFFFAOYSA-N 1 2 349.420 0.187 20 30 ECEDLO N#Cc1ccccc1/C=C/C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000757109095 579459485 /nfs/dbraw/zinc/45/94/85/579459485.db2.gz HDYMELZPUYAKAB-AATRIKPKSA-N 1 2 329.400 0.725 20 30 ECEDLO CC(=O)N1CCC(NC(=O)CO[NH+]=C(N)c2ccc(F)cc2)CC1 ZINC000725790704 578133808 /nfs/dbraw/zinc/13/38/08/578133808.db2.gz ALXONOXYYIOSCS-UHFFFAOYSA-N 1 2 336.367 0.590 20 30 ECEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1C#N ZINC000725895429 578134830 /nfs/dbraw/zinc/13/48/30/578134830.db2.gz HQTATEPZCWYLNT-NWDGAFQWSA-N 1 2 348.428 0.974 20 30 ECEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1C#N ZINC000725895429 578134832 /nfs/dbraw/zinc/13/48/32/578134832.db2.gz HQTATEPZCWYLNT-NWDGAFQWSA-N 1 2 348.428 0.974 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CCc2nc3ccccc3oc2=O)CC1 ZINC000733163352 578333129 /nfs/dbraw/zinc/33/31/29/578333129.db2.gz LFLWSBOCPHXSGE-UHFFFAOYSA-N 1 2 325.368 0.898 20 30 ECEDLO N#CCCNC(=O)C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000737694382 578517451 /nfs/dbraw/zinc/51/74/51/578517451.db2.gz NGKGNXPPJABHRF-UHFFFAOYSA-N 1 2 340.391 0.019 20 30 ECEDLO C=CCOC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)nc1)C(=O)OC ZINC000796455773 578625189 /nfs/dbraw/zinc/62/51/89/578625189.db2.gz NOOKMHUYLZNOOS-CYBMUJFWSA-N 1 2 330.344 0.741 20 30 ECEDLO N#CCCNC(=O)C[N@@H+]1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000796549947 578625843 /nfs/dbraw/zinc/62/58/43/578625843.db2.gz QWJIAYSIXMXGJU-ZIAGYGMSSA-N 1 2 338.408 0.386 20 30 ECEDLO N#CCCNC(=O)C[N@H+]1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000796549947 578625844 /nfs/dbraw/zinc/62/58/44/578625844.db2.gz QWJIAYSIXMXGJU-ZIAGYGMSSA-N 1 2 338.408 0.386 20 30 ECEDLO C#CCC[C@@H](O)CNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000798355815 578644617 /nfs/dbraw/zinc/64/46/17/578644617.db2.gz HOAIIPUWAJQUPS-OAHLLOKOSA-N 1 2 332.404 0.492 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N2CCC3(CC2)OCCO3)C1=O ZINC000799177674 578660630 /nfs/dbraw/zinc/66/06/30/578660630.db2.gz SYXWEOBYKREMRW-CQSZACIVSA-N 1 2 337.420 0.071 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N2CCC3(CC2)OCCO3)C1=O ZINC000799177674 578660631 /nfs/dbraw/zinc/66/06/31/578660631.db2.gz SYXWEOBYKREMRW-CQSZACIVSA-N 1 2 337.420 0.071 20 30 ECEDLO C#CCC[C@@H](O)CNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000799218601 578661098 /nfs/dbraw/zinc/66/10/98/578661098.db2.gz CIQYXDUDSKLGNK-OAHLLOKOSA-N 1 2 335.408 0.111 20 30 ECEDLO Cc1nn(C)c(N2CC[NH+](C[C@@H](O)c3ccc(F)cn3)CC2)c1C#N ZINC000799323727 578663525 /nfs/dbraw/zinc/66/35/25/578663525.db2.gz ZMJSIAHGSROLLQ-MRXNPFEDSA-N 1 2 344.394 0.990 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)OC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000782277699 578722995 /nfs/dbraw/zinc/72/29/95/578722995.db2.gz ZKFSDMZUJXTBMS-IUDBQGPFSA-N 1 2 337.376 0.167 20 30 ECEDLO C[N@@H+]1CCN(C(=O)NCCC#N)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000787354379 578805649 /nfs/dbraw/zinc/80/56/49/578805649.db2.gz BKKXJXFZJPSKGE-LBPRGKRZSA-N 1 2 325.413 0.750 20 30 ECEDLO C[N@H+]1CCN(C(=O)NCCC#N)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000787354379 578805650 /nfs/dbraw/zinc/80/56/50/578805650.db2.gz BKKXJXFZJPSKGE-LBPRGKRZSA-N 1 2 325.413 0.750 20 30 ECEDLO C#CCn1ccc(CN(CC)C(=O)NCC[N@@H+]2CCO[C@H](C)C2)n1 ZINC000788945499 578845894 /nfs/dbraw/zinc/84/58/94/578845894.db2.gz ZNAAURRLLAUVMX-OAHLLOKOSA-N 1 2 333.436 0.769 20 30 ECEDLO C#CCn1ccc(CN(CC)C(=O)NCC[N@H+]2CCO[C@H](C)C2)n1 ZINC000788945499 578845895 /nfs/dbraw/zinc/84/58/95/578845895.db2.gz ZNAAURRLLAUVMX-OAHLLOKOSA-N 1 2 333.436 0.769 20 30 ECEDLO COc1ccc(CNC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1C#N ZINC000789755376 578859058 /nfs/dbraw/zinc/85/90/58/578859058.db2.gz YCYNXPLJVLBLPH-GFCCVEGCSA-N 1 2 341.371 0.584 20 30 ECEDLO COCCCNC(=O)C[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000770448535 579167014 /nfs/dbraw/zinc/16/70/14/579167014.db2.gz WIHSNSWWWKGKTR-UHFFFAOYSA-N 1 2 334.395 0.972 20 30 ECEDLO C#CCN(C(=O)Nc1ccc2[nH+]ccn2c1)[C@H]1CCS(=O)(=O)C1 ZINC000774045769 579238791 /nfs/dbraw/zinc/23/87/91/579238791.db2.gz XYUZPVFQZRSWGI-ZDUSSCGKSA-N 1 2 332.385 0.989 20 30 ECEDLO C#C[C@H]([NH2+]Cc1nnc2n1c1ccccc1c(=O)n2C)[C@@H]1CCCO1 ZINC000775795592 579271542 /nfs/dbraw/zinc/27/15/42/579271542.db2.gz XWGPPFHWDFKWDR-ZFWWWQNUSA-N 1 2 337.383 0.852 20 30 ECEDLO N#CCNC(=O)COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741357346 579772758 /nfs/dbraw/zinc/77/27/58/579772758.db2.gz TWSHDXSEBUSSCA-HNNXBMFYSA-N 1 2 331.372 0.460 20 30 ECEDLO N#CCNC(=O)COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741357346 579772760 /nfs/dbraw/zinc/77/27/60/579772760.db2.gz TWSHDXSEBUSSCA-HNNXBMFYSA-N 1 2 331.372 0.460 20 30 ECEDLO C#CCN1CCN(C(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000746259581 579834615 /nfs/dbraw/zinc/83/46/15/579834615.db2.gz RKZBOGDSBZULLI-UHFFFAOYSA-N 1 2 327.428 0.910 20 30 ECEDLO N#CCn1cc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000746380492 579837546 /nfs/dbraw/zinc/83/75/46/579837546.db2.gz APMKIJKKQUFVFG-UHFFFAOYSA-N 1 2 349.354 0.847 20 30 ECEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000746475216 579840532 /nfs/dbraw/zinc/84/05/32/579840532.db2.gz PZHDHRRMBRFUNE-LFPIHBKWSA-N 1 2 348.472 0.881 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)[C@H](C)C1 ZINC000867131520 588913577 /nfs/dbraw/zinc/91/35/77/588913577.db2.gz KQILSESAARRRQH-VXGBXAGGSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)[C@H](C)C1 ZINC000867131520 588913579 /nfs/dbraw/zinc/91/35/79/588913579.db2.gz KQILSESAARRRQH-VXGBXAGGSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC[N@@H+]1CCO ZINC000867132817 588913852 /nfs/dbraw/zinc/91/38/52/588913852.db2.gz MUQZVSHRDWNHLM-LLVKDONJSA-N 1 2 327.381 0.384 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC[N@H+]1CCO ZINC000867132817 588913853 /nfs/dbraw/zinc/91/38/53/588913853.db2.gz MUQZVSHRDWNHLM-LLVKDONJSA-N 1 2 327.381 0.384 20 30 ECEDLO C[C@@H]1C[C@@H](C)CN(C(=O)CON=C(N)C[NH+]2CCSCC2)C1 ZINC000121461054 588934013 /nfs/dbraw/zinc/93/40/13/588934013.db2.gz RXDRTFZVVAMYRW-CHWSQXEVSA-N 1 2 328.482 0.829 20 30 ECEDLO COc1cc(C#N)cc(OS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)c1 ZINC000867184815 588933359 /nfs/dbraw/zinc/93/33/59/588933359.db2.gz BDZCMTCUEPFORZ-CQSZACIVSA-N 1 2 326.374 0.606 20 30 ECEDLO COc1cc(C#N)cc(OS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)c1 ZINC000867184815 588933360 /nfs/dbraw/zinc/93/33/60/588933360.db2.gz BDZCMTCUEPFORZ-CQSZACIVSA-N 1 2 326.374 0.606 20 30 ECEDLO CN(Cc1ccco1)C(=O)CON=C(N)C[NH+]1CCSCC1 ZINC000121484230 588970387 /nfs/dbraw/zinc/97/03/87/588970387.db2.gz ABFZXZBUKQQOBM-UHFFFAOYSA-N 1 2 326.422 0.576 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2C#N)[C@@H](C)C[N@@H+]1CCO ZINC000841573426 588995811 /nfs/dbraw/zinc/99/58/11/588995811.db2.gz MRVHPDJITMNTOQ-NEPJUHHUSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2C#N)[C@@H](C)C[N@H+]1CCO ZINC000841573426 588995813 /nfs/dbraw/zinc/99/58/13/588995813.db2.gz MRVHPDJITMNTOQ-NEPJUHHUSA-N 1 2 341.408 0.773 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(OCCOC)o2)CC1 ZINC000891536408 586174706 /nfs/dbraw/zinc/17/47/06/586174706.db2.gz JBYOFDVXWPRQMO-UHFFFAOYSA-N 1 2 337.420 0.725 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C(=O)NC)c2)C1 ZINC000891608499 586181616 /nfs/dbraw/zinc/18/16/16/586181616.db2.gz YBJRUQIBQXKTNT-OAHLLOKOSA-N 1 2 342.399 0.199 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C(=O)NC)c2)C1 ZINC000891608499 586181619 /nfs/dbraw/zinc/18/16/19/586181619.db2.gz YBJRUQIBQXKTNT-OAHLLOKOSA-N 1 2 342.399 0.199 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000895915920 586212705 /nfs/dbraw/zinc/21/27/05/586212705.db2.gz OYPDCMMUHXYDIX-UHFFFAOYSA-N 1 2 343.836 0.631 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc3c(c2)ncn3C)CC1 ZINC000895915925 586212825 /nfs/dbraw/zinc/21/28/25/586212825.db2.gz PENJTVCALUYYHK-UHFFFAOYSA-N 1 2 347.444 0.159 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cc(COC)cs2)CC1 ZINC000895918598 586212881 /nfs/dbraw/zinc/21/28/81/586212881.db2.gz NAXXCUMNUFBJOP-UHFFFAOYSA-N 1 2 343.474 0.480 20 30 ECEDLO C#CCNS(=O)(=O)N1CCN(Cc2[nH]cc(C(C)C)[nH+]2)CC1 ZINC000895917046 586212934 /nfs/dbraw/zinc/21/29/34/586212934.db2.gz AGYUVEYHMUECBB-UHFFFAOYSA-N 1 2 325.438 0.118 20 30 ECEDLO C#CCC[NH+]1CCN(c2nc(Cl)ccc2S(N)(=O)=O)CC1 ZINC000892312902 586247552 /nfs/dbraw/zinc/24/75/52/586247552.db2.gz BIQJPMNMXGVXTJ-UHFFFAOYSA-N 1 2 328.825 0.528 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2cc(C)cc(C#N)n2)CC1 ZINC000892327961 586250562 /nfs/dbraw/zinc/25/05/62/586250562.db2.gz QLYFVLXJKUZKCQ-OAHLLOKOSA-N 1 2 345.447 0.925 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)NCCS(=O)(=O)C(F)(F)F)CC1 ZINC000898685658 586443508 /nfs/dbraw/zinc/44/35/08/586443508.db2.gz VHDJGRIXWYEGGV-UHFFFAOYSA-N 1 2 326.340 0.382 20 30 ECEDLO C#CCN1C(=O)C[C@H]([N@H+]2C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C2)C1=O ZINC000899252094 586479347 /nfs/dbraw/zinc/47/93/47/586479347.db2.gz BZHJCBHGTNVXEJ-TUAOUCFPSA-N 1 2 331.338 0.704 20 30 ECEDLO C#CCN1C(=O)C[C@H]([N@@H+]2C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C2)C1=O ZINC000899252094 586479349 /nfs/dbraw/zinc/47/93/49/586479349.db2.gz BZHJCBHGTNVXEJ-TUAOUCFPSA-N 1 2 331.338 0.704 20 30 ECEDLO C#CC[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000843241786 589054822 /nfs/dbraw/zinc/05/48/22/589054822.db2.gz GMBZENLFUHKKOX-IRXDYDNUSA-N 1 2 347.459 0.572 20 30 ECEDLO Cn1cc[nH+]c1CN1CCN(C(=O)c2cccc(C#CCO)c2)CC1 ZINC000900598791 586645952 /nfs/dbraw/zinc/64/59/52/586645952.db2.gz KXJLFBXMBBQQQZ-UHFFFAOYSA-N 1 2 338.411 0.722 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H](CO)NC(=O)OCc2ccccc2)CC1 ZINC000900690316 586656677 /nfs/dbraw/zinc/65/66/77/586656677.db2.gz PZNCVVFNMFKDAD-MRXNPFEDSA-N 1 2 345.399 0.051 20 30 ECEDLO COC[C@]1(C)NC(=O)N(C[NH+]2CCC3(CC2)CC(=O)C=CO3)C1=O ZINC000902599795 586746791 /nfs/dbraw/zinc/74/67/91/586746791.db2.gz KPPXIWSXQJDOGY-HNNXBMFYSA-N 1 2 337.376 0.239 20 30 ECEDLO C=CCONC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000838704148 586820761 /nfs/dbraw/zinc/82/07/61/586820761.db2.gz RIOSDLUIIZSLJI-UHFFFAOYSA-N 1 2 333.392 0.537 20 30 ECEDLO C#CCN(C)C(=O)C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000839220382 586842490 /nfs/dbraw/zinc/84/24/90/586842490.db2.gz HXSNAYZILKTQDY-UHFFFAOYSA-N 1 2 343.427 0.739 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccn(CC(F)(F)F)c1=O ZINC000905496830 586898444 /nfs/dbraw/zinc/89/84/44/586898444.db2.gz UTGHAWRZXPWWQM-ZDUSSCGKSA-N 1 2 330.310 0.984 20 30 ECEDLO 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/nfs/dbraw/zinc/08/86/06/587088606.db2.gz UCZLSDZFFVLXDE-UHFFFAOYSA-N 1 2 337.387 0.975 20 30 ECEDLO N#Cc1ccc(NCCNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)nc1 ZINC000811864235 587227953 /nfs/dbraw/zinc/22/79/53/587227953.db2.gz SGJPUQWSOVSJDP-LBPRGKRZSA-N 1 2 325.376 0.945 20 30 ECEDLO N#Cc1ccc(NCCNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)nc1 ZINC000811864235 587227954 /nfs/dbraw/zinc/22/79/54/587227954.db2.gz SGJPUQWSOVSJDP-LBPRGKRZSA-N 1 2 325.376 0.945 20 30 ECEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCCNc1ncccc1C#N ZINC000840266582 587242444 /nfs/dbraw/zinc/24/24/44/587242444.db2.gz DKYUVSRMJJAGSB-UHFFFAOYSA-N 1 2 346.435 0.775 20 30 ECEDLO C=CCOCCOC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000815240747 587284504 /nfs/dbraw/zinc/28/45/04/587284504.db2.gz AVLPSQJUGLSODD-HNNXBMFYSA-N 1 2 340.420 0.446 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000819701724 587486413 /nfs/dbraw/zinc/48/64/13/587486413.db2.gz LKEGKWHPGFTADB-UHFFFAOYSA-N 1 2 344.350 0.162 20 30 ECEDLO C#CC[C@H](CO)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000820060162 587506255 /nfs/dbraw/zinc/50/62/55/587506255.db2.gz VZTCKGOZVXJDQJ-OAHLLOKOSA-N 1 2 344.415 0.011 20 30 ECEDLO C#C[C@@H](NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)c1ccccc1 ZINC000820600606 587543511 /nfs/dbraw/zinc/54/35/11/587543511.db2.gz ZUOLWZSLSCIHFU-OAHLLOKOSA-N 1 2 328.416 0.952 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2c[nH]nc2C(F)(F)F)CC1 ZINC000820788027 587556093 /nfs/dbraw/zinc/55/60/93/587556093.db2.gz UNBQUZUGGFVIMV-UHFFFAOYSA-N 1 2 336.339 0.758 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000822895861 587689324 /nfs/dbraw/zinc/68/93/24/587689324.db2.gz BSORGVGOYFQSPS-OAHLLOKOSA-N 1 2 344.415 0.275 20 30 ECEDLO C#CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000829769681 588340620 /nfs/dbraw/zinc/34/06/20/588340620.db2.gz ZGPWLUALGNEQOS-ZNMIVQPWSA-N 1 2 326.462 0.756 20 30 ECEDLO C#CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000829769681 588340622 /nfs/dbraw/zinc/34/06/22/588340622.db2.gz ZGPWLUALGNEQOS-ZNMIVQPWSA-N 1 2 326.462 0.756 20 30 ECEDLO C#CC1CC[NH+]([C@@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000830305305 588368109 /nfs/dbraw/zinc/36/81/09/588368109.db2.gz LABZFKGAYPOVPI-DZGCQCFKSA-N 1 2 326.462 0.756 20 30 ECEDLO C[NH+](C)CC(=O)N1CC[NH+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000830596118 588377545 /nfs/dbraw/zinc/37/75/45/588377545.db2.gz FRKQNNWYBCCNSM-INIZCTEOSA-N 1 2 330.388 0.390 20 30 ECEDLO C[S@](=O)CC[NH+]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000844306627 589106792 /nfs/dbraw/zinc/10/67/92/589106792.db2.gz BTEUUBPVAQWNRN-QHCPKHFHSA-N 1 2 336.417 0.963 20 30 ECEDLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000844403665 589110303 /nfs/dbraw/zinc/11/03/03/589110303.db2.gz DFVLJXCSHOLHRU-CHWSQXEVSA-N 1 2 328.372 0.502 20 30 ECEDLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000844403665 589110304 /nfs/dbraw/zinc/11/03/04/589110304.db2.gz DFVLJXCSHOLHRU-CHWSQXEVSA-N 1 2 328.372 0.502 20 30 ECEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844956623 589126787 /nfs/dbraw/zinc/12/67/87/589126787.db2.gz DTAWIJCRVIDRET-RHSMWYFYSA-N 1 2 346.431 0.954 20 30 ECEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844956623 589126788 /nfs/dbraw/zinc/12/67/88/589126788.db2.gz DTAWIJCRVIDRET-RHSMWYFYSA-N 1 2 346.431 0.954 20 30 ECEDLO Cn1ncc2c1nc(N)[nH+]c2N1CCN(c2ccc(C#N)nc2)CC1 ZINC000848697470 589307934 /nfs/dbraw/zinc/30/79/34/589307934.db2.gz MAKIZEUAFGVEPQ-UHFFFAOYSA-N 1 2 335.375 0.539 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)CC1 ZINC000849371833 589327414 /nfs/dbraw/zinc/32/74/14/589327414.db2.gz ALYYFVSYJCMOBM-CABCVRRESA-N 1 2 330.450 0.009 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1)[C@@H]1CCCO1 ZINC000850415455 589366392 /nfs/dbraw/zinc/36/63/92/589366392.db2.gz ISPHAUDJEYAOGH-KGLIPLIRSA-N 1 2 326.356 0.878 20 30 ECEDLO Cc1nn(C)c(N2CC[NH+](C[C@H](O)c3ccccn3)CC2)c1C#N ZINC000851976057 589435373 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/nfs/dbraw/zinc/07/59/59/590075959.db2.gz VJAKCRLBCBDLPZ-GFCCVEGCSA-N 1 2 326.466 0.832 20 30 ECEDLO CCn1ncn(N=Cc2ccc(OCC[NH+]3CCOCC3)cc2)c1=O ZINC000872376671 590115575 /nfs/dbraw/zinc/11/55/75/590115575.db2.gz JZXOMOIXJKLSND-UHFFFAOYSA-N 1 2 345.403 0.658 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCCCCOCC)CC1 ZINC000865177665 590130019 /nfs/dbraw/zinc/13/00/19/590130019.db2.gz HCFKLJQCBHLNID-UHFFFAOYSA-N 1 2 337.464 0.867 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCCCOCC)CC1 ZINC000865177665 590130022 /nfs/dbraw/zinc/13/00/22/590130022.db2.gz HCFKLJQCBHLNID-UHFFFAOYSA-N 1 2 337.464 0.867 20 30 ECEDLO CON=C(C(=O)N1CCN(c2cccc[nH+]2)CC1)c1csc(N)n1 ZINC000873747842 590199978 /nfs/dbraw/zinc/19/99/78/590199978.db2.gz XEJVKECZFHBWBJ-UHFFFAOYSA-N 1 2 346.416 0.820 20 30 ECEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC(=O)NCC12COC2 ZINC000880398847 590389816 /nfs/dbraw/zinc/38/98/16/590389816.db2.gz WFKBGZLVRVFWRA-UHFFFAOYSA-N 1 2 334.401 0.539 20 30 ECEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC(=O)NCC12COC2 ZINC000880398847 590389818 /nfs/dbraw/zinc/38/98/18/590389818.db2.gz WFKBGZLVRVFWRA-UHFFFAOYSA-N 1 2 334.401 0.539 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 ZINC000128421948 590393076 /nfs/dbraw/zinc/39/30/76/590393076.db2.gz DOPDZZMXXJMGBN-UHFFFAOYSA-N 1 2 347.440 0.518 20 30 ECEDLO COC(=O)[C@@]1(O)CC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000880559704 590403328 /nfs/dbraw/zinc/40/33/28/590403328.db2.gz QFWIIVPACXMVJE-QGZVFWFLSA-N 1 2 331.372 0.543 20 30 ECEDLO COC(=O)[C@@]1(O)CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000880559704 590403330 /nfs/dbraw/zinc/40/33/30/590403330.db2.gz QFWIIVPACXMVJE-QGZVFWFLSA-N 1 2 331.372 0.543 20 30 ECEDLO COC(=O)[C@@]1(O)CC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000880564481 590405188 /nfs/dbraw/zinc/40/51/88/590405188.db2.gz NSQNLNWZWNIKNY-IAQYHMDHSA-N 1 2 335.385 0.335 20 30 ECEDLO COC(=O)[C@@]1(O)CC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000880564481 590405190 /nfs/dbraw/zinc/40/51/90/590405190.db2.gz NSQNLNWZWNIKNY-IAQYHMDHSA-N 1 2 335.385 0.335 20 30 ECEDLO C[C@@H]1C[N@@H+](CCn2cnc(Br)n2)C[C@H](C)N1CC#N ZINC000878772284 590541446 /nfs/dbraw/zinc/54/14/46/590541446.db2.gz JSLAJIQVVLPFPN-PHIMTYICSA-N 1 2 327.230 0.959 20 30 ECEDLO C[C@@H]1C[N@H+](CCn2cnc(Br)n2)C[C@H](C)N1CC#N ZINC000878772284 590541447 /nfs/dbraw/zinc/54/14/47/590541447.db2.gz JSLAJIQVVLPFPN-PHIMTYICSA-N 1 2 327.230 0.959 20 30 ECEDLO C#CC[N@@H+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)C1CSC1 ZINC000878913082 590550757 /nfs/dbraw/zinc/55/07/57/590550757.db2.gz AHBWZJFKKWQXMI-UHFFFAOYSA-N 1 2 347.440 0.615 20 30 ECEDLO C#CC[N@H+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)C1CSC1 ZINC000878913082 590550760 /nfs/dbraw/zinc/55/07/60/590550760.db2.gz AHBWZJFKKWQXMI-UHFFFAOYSA-N 1 2 347.440 0.615 20 30 ECEDLO COC[C@]1(C(=O)OC(C)(C)C)C[N@H+](CCO[C@@H](C)C#N)CCO1 ZINC000879359669 590583289 /nfs/dbraw/zinc/58/32/89/590583289.db2.gz VJZPXIKZULWRQY-BBRMVZONSA-N 1 2 328.409 0.974 20 30 ECEDLO COC[C@]1(C(=O)OC(C)(C)C)C[N@@H+](CCO[C@@H](C)C#N)CCO1 ZINC000879359669 590583291 /nfs/dbraw/zinc/58/32/91/590583291.db2.gz VJZPXIKZULWRQY-BBRMVZONSA-N 1 2 328.409 0.974 20 30 ECEDLO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1nnc2c(=O)n(C)ccn12 ZINC000883330842 590612828 /nfs/dbraw/zinc/61/28/28/590612828.db2.gz NGEKBQVYMNCKCT-UHFFFAOYSA-N 1 2 337.387 0.655 20 30 ECEDLO Cc1c[nH+]c2cc(C(=O)N3C[C@@H]4CS(=O)(=O)C[C@]4(C#N)C3)ccn12 ZINC000885311000 590713584 /nfs/dbraw/zinc/71/35/84/590713584.db2.gz MBOBZHPWVVXTBL-CJNGLKHVSA-N 1 2 344.396 0.653 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2nc[nH]c2Br)C1 ZINC000885508286 590728861 /nfs/dbraw/zinc/72/88/61/590728861.db2.gz DVWXIFUIDPLETH-VIFPVBQESA-N 1 2 347.238 0.548 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2nc[nH]c2Br)C1 ZINC000885508286 590728863 /nfs/dbraw/zinc/72/88/63/590728863.db2.gz DVWXIFUIDPLETH-VIFPVBQESA-N 1 2 347.238 0.548 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CC2(C(=O)OC)CCCC2)C1 ZINC000885508686 590729293 /nfs/dbraw/zinc/72/92/93/590729293.db2.gz JPCHGNUANBATSD-CQSZACIVSA-N 1 2 342.461 0.737 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CC2(C(=O)OC)CCCC2)C1 ZINC000885508686 590729296 /nfs/dbraw/zinc/72/92/96/590729296.db2.gz JPCHGNUANBATSD-CQSZACIVSA-N 1 2 342.461 0.737 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc3c(c2)C(=O)OC3)C1 ZINC000885513982 590730226 /nfs/dbraw/zinc/73/02/26/590730226.db2.gz LZXWTXUGGGLHHT-ZDUSSCGKSA-N 1 2 334.397 0.733 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc3c(c2)C(=O)OC3)C1 ZINC000885513982 590730227 /nfs/dbraw/zinc/73/02/27/590730227.db2.gz LZXWTXUGGGLHHT-ZDUSSCGKSA-N 1 2 334.397 0.733 20 30 ECEDLO C=CCC1(O)CCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000885699864 590743553 /nfs/dbraw/zinc/74/35/53/590743553.db2.gz RJEUYWQOLLDWTM-UHFFFAOYSA-N 1 2 332.466 0.442 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1ccn(-c2ccccc2)n1 ZINC000884115937 590745303 /nfs/dbraw/zinc/74/53/03/590745303.db2.gz IICDQRALPYGIPT-INIZCTEOSA-N 1 2 342.399 0.978 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1COc2c(cccc2OC)C1 ZINC000884125312 590748180 /nfs/dbraw/zinc/74/81/80/590748180.db2.gz VTSQJMQMCHOVIV-STQMWFEESA-N 1 2 334.372 0.562 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(c2nc(C)cs2)CC1 ZINC000884190153 590768531 /nfs/dbraw/zinc/76/85/31/590768531.db2.gz XBVYMWSQFGJUFS-LBPRGKRZSA-N 1 2 338.433 0.547 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000884409599 590822045 /nfs/dbraw/zinc/82/20/45/590822045.db2.gz NOIDEGUAEFIFQX-KKUMJFAQSA-N 1 2 334.420 0.694 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCc2nc(C3CC3)ncc2C1 ZINC000884435902 590828432 /nfs/dbraw/zinc/82/84/32/590828432.db2.gz OBDLRAMIUPMJKH-ZDUSSCGKSA-N 1 2 330.388 0.685 20 30 ECEDLO Cc1cc(=O)[nH]c(N2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)n1 ZINC000886654335 590868957 /nfs/dbraw/zinc/86/89/57/590868957.db2.gz WGPHXQHNUUBPCG-CYBMUJFWSA-N 1 2 332.408 0.373 20 30 ECEDLO C#CCSCC(=O)N1CCN(c2nc(N)[nH+]c(C3CC3)n2)CC1 ZINC000887623616 590984851 /nfs/dbraw/zinc/98/48/51/590984851.db2.gz NUSNHMMCOQAJAV-UHFFFAOYSA-N 1 2 332.433 0.346 20 30 ECEDLO C#CCSCC(=O)N1CCN(c2nc(N)nc(C3CC3)[nH+]2)CC1 ZINC000887623616 590984852 /nfs/dbraw/zinc/98/48/52/590984852.db2.gz NUSNHMMCOQAJAV-UHFFFAOYSA-N 1 2 332.433 0.346 20 30 ECEDLO C#CC1(O)CC[NH+](CC(=O)Nc2ccccc2SCC(N)=O)CC1 ZINC000931141720 611510521 /nfs/dbraw/zinc/51/05/21/611510521.db2.gz GHXQQAURHWZZBD-UHFFFAOYSA-N 1 2 347.440 0.663 20 30 ECEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000937351426 608612277 /nfs/dbraw/zinc/61/22/77/608612277.db2.gz BXOWRRKSTOXINM-ARFHVFGLSA-N 1 2 340.427 0.996 20 30 ECEDLO CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000937353472 608615539 /nfs/dbraw/zinc/61/55/39/608615539.db2.gz SHEPLVBGDNBGKA-HZPDHXFCSA-N 1 2 340.427 0.918 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC2)C1 ZINC000949470630 608694331 /nfs/dbraw/zinc/69/43/31/608694331.db2.gz FZUNSSRJMYMJLT-CABCVRRESA-N 1 2 333.432 0.037 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC2)C1 ZINC000949470630 608694334 /nfs/dbraw/zinc/69/43/34/608694334.db2.gz FZUNSSRJMYMJLT-CABCVRRESA-N 1 2 333.432 0.037 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nn3)[C@H](C)C2)c1 ZINC000947711755 611663230 /nfs/dbraw/zinc/66/32/30/611663230.db2.gz YELBUNANDOIKKJ-CJNGLKHVSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3cn(C)nn3)[C@H](C)C2)c1 ZINC000947711755 611663233 /nfs/dbraw/zinc/66/32/33/611663233.db2.gz YELBUNANDOIKKJ-CJNGLKHVSA-N 1 2 338.415 0.974 20 30 ECEDLO C=CC[N@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@@H]1C ZINC000947825671 608966466 /nfs/dbraw/zinc/96/64/66/608966466.db2.gz VDGCFDCGBYENFF-RYUDHWBXSA-N 1 2 330.392 0.226 20 30 ECEDLO C=CC[N@@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@@H]1C ZINC000947825671 608966468 /nfs/dbraw/zinc/96/64/68/608966468.db2.gz VDGCFDCGBYENFF-RYUDHWBXSA-N 1 2 330.392 0.226 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3nccn3C)[C@@H](C)C2)nn1 ZINC000947791307 611692334 /nfs/dbraw/zinc/69/23/34/611692334.db2.gz AWLRDCPAYRBPCU-UONOGXRCSA-N 1 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C#CC[N@@H+](CC#CC)C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000929720112 609804408 /nfs/dbraw/zinc/80/44/08/609804408.db2.gz LIGNHUXJWHTFOV-OAHLLOKOSA-N 1 2 340.489 0.946 20 30 ECEDLO C#CC[N@H+](CC#CC)C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000929720112 609804409 /nfs/dbraw/zinc/80/44/09/609804409.db2.gz LIGNHUXJWHTFOV-OAHLLOKOSA-N 1 2 340.489 0.946 20 30 ECEDLO CC[N@H+](CCS(C)(=O)=O)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000154235695 609956109 /nfs/dbraw/zinc/95/61/09/609956109.db2.gz ILUFXVSPWUBYNW-HNNXBMFYSA-N 1 2 340.445 0.859 20 30 ECEDLO CC[N@@H+](CCS(C)(=O)=O)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000154235695 609956110 /nfs/dbraw/zinc/95/61/10/609956110.db2.gz ILUFXVSPWUBYNW-HNNXBMFYSA-N 1 2 340.445 0.859 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000939304870 610156405 /nfs/dbraw/zinc/15/64/05/610156405.db2.gz ZQJCKBDGYQFMQZ-ZDUSSCGKSA-N 1 2 326.360 0.525 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000939508397 610221488 /nfs/dbraw/zinc/22/14/88/610221488.db2.gz RHFUUIQKNFJIIY-IUODEOHRSA-N 1 2 337.383 0.605 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCn3ccccc3=O)CC2)C1 ZINC000941427528 610301424 /nfs/dbraw/zinc/30/14/24/610301424.db2.gz DKXKNSGFTKMCLP-UHFFFAOYSA-N 1 2 342.443 0.090 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3nn(C)cc3Cl)CC2)C1 ZINC000941423445 610308339 /nfs/dbraw/zinc/30/83/39/610308339.db2.gz YVFWKEILFWOZIH-UHFFFAOYSA-N 1 2 335.839 0.539 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ncnc4ccsc43)CC2)C1 ZINC000941432016 610312527 /nfs/dbraw/zinc/31/25/27/610312527.db2.gz YQGALBJNMDCVAW-UHFFFAOYSA-N 1 2 341.440 0.767 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCn4cc(C)nc4C3)CC2)C1 ZINC000941455740 610318294 /nfs/dbraw/zinc/31/82/94/610318294.db2.gz CKERKHJXGUWWKC-MRXNPFEDSA-N 1 2 341.459 0.216 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(C(F)F)ncn3)CC2)C1 ZINC000941455734 610318368 /nfs/dbraw/zinc/31/83/68/610318368.db2.gz CDWCDBJUAUEWIW-UHFFFAOYSA-N 1 2 335.358 0.489 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3nc(C)sc3C)CC2)C1 ZINC000941460271 610320288 /nfs/dbraw/zinc/32/02/88/610320288.db2.gz NXWQDJSDENZCMU-UHFFFAOYSA-N 1 2 332.473 0.764 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(C)nnc3CC)CC2)C1 ZINC000941462822 610321412 /nfs/dbraw/zinc/32/14/12/610321412.db2.gz GTKFMZMZZBXRGJ-UHFFFAOYSA-N 1 2 341.459 0.813 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(COC)cs3)CC2)C1 ZINC000941475753 610332121 /nfs/dbraw/zinc/33/21/21/610332121.db2.gz ZBAXLKDUGSTJDI-UHFFFAOYSA-N 1 2 333.457 0.970 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cn1 ZINC000940705662 610338530 /nfs/dbraw/zinc/33/85/30/610338530.db2.gz XACIONCPENKYRE-MLGOLLRUSA-N 1 2 337.383 0.605 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c[nH]nc3-c3ccoc3)CC2)C1 ZINC000941500482 610345070 /nfs/dbraw/zinc/34/50/70/610345070.db2.gz VFDYWXZZTYPALJ-UHFFFAOYSA-N 1 2 339.399 0.745 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c(C)nn(C)c3Cl)CC2)C1 ZINC000941505082 610347574 /nfs/dbraw/zinc/34/75/74/610347574.db2.gz LHIPYFFJHJVKON-UHFFFAOYSA-N 1 2 349.866 0.847 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)CC2)C1 ZINC000941579474 610391897 /nfs/dbraw/zinc/39/18/97/610391897.db2.gz CJTBUURCNOKQEP-ZWKOTPCHSA-N 1 2 341.459 0.375 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnn(CC)c3C3CC3)CC2)C1 ZINC000941632499 610418722 /nfs/dbraw/zinc/41/87/22/610418722.db2.gz IJQDNFIPXNGELX-UHFFFAOYSA-N 1 2 341.459 0.856 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)COc3cccc(F)c3)CC2)C1 ZINC000941662064 610443351 /nfs/dbraw/zinc/44/33/51/610443351.db2.gz UPLPWPZECYIOFE-UHFFFAOYSA-N 1 2 331.391 0.666 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)Cc3c(C)n[nH]c3C)CC2)C1 ZINC000941670435 610444323 /nfs/dbraw/zinc/44/43/23/610444323.db2.gz RTHVJONFNWFWJL-CQSZACIVSA-N 1 2 343.475 0.667 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c(C)cc(=O)[nH]c3C)CC2)C1 ZINC000941674729 610447692 /nfs/dbraw/zinc/44/76/92/610447692.db2.gz IIXCNFJCLDMZDA-UHFFFAOYSA-N 1 2 328.416 0.479 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@@H](C)n3nc(C)cc3C)CC2)C1 ZINC000941668082 610458604 /nfs/dbraw/zinc/45/86/04/610458604.db2.gz FSQOUBHOHHXHGM-QGZVFWFLSA-N 1 2 343.475 0.913 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000941681579 610460848 /nfs/dbraw/zinc/46/08/48/610460848.db2.gz SDXDMDHTYUIIDP-BMFZPTHFSA-N 1 2 346.431 0.661 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnc(COC)s3)CC2)C1 ZINC000941689863 610465292 /nfs/dbraw/zinc/46/52/92/610465292.db2.gz CWUSGNBAUFPDFH-UHFFFAOYSA-N 1 2 348.472 0.755 20 30 ECEDLO C#CC[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)C(C)(C)C1 ZINC000941090826 610531897 /nfs/dbraw/zinc/53/18/97/610531897.db2.gz KBQBDKGESLNZQN-XJKSGUPXSA-N 1 2 326.462 0.804 20 30 ECEDLO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)C(C)(C)C1 ZINC000941090826 610531898 /nfs/dbraw/zinc/53/18/98/610531898.db2.gz KBQBDKGESLNZQN-XJKSGUPXSA-N 1 2 326.462 0.804 20 30 ECEDLO C[C@H]1C[N@H+](Cc2nncn2C)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941929778 610567489 /nfs/dbraw/zinc/56/74/89/610567489.db2.gz PCVCXSCLQZUURC-AAEUAGOBSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@H]1C[N@@H+](Cc2nncn2C)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941929778 610567490 /nfs/dbraw/zinc/56/74/90/610567490.db2.gz PCVCXSCLQZUURC-AAEUAGOBSA-N 1 2 327.392 0.655 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)cc1 ZINC000941970490 610583507 /nfs/dbraw/zinc/58/35/07/610583507.db2.gz XLQNZSFLDANJAP-MRXNPFEDSA-N 1 2 336.395 0.975 20 30 ECEDLO C[C@H]1C[N@H+](Cc2cn(C)nn2)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941965404 610587730 /nfs/dbraw/zinc/58/77/30/610587730.db2.gz AGQCCKVWRVYFRA-SMDDNHRTSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@H]1C[N@@H+](Cc2cn(C)nn2)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941965404 610587732 /nfs/dbraw/zinc/58/77/32/610587732.db2.gz AGQCCKVWRVYFRA-SMDDNHRTSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC000941343041 610680806 /nfs/dbraw/zinc/68/08/06/610680806.db2.gz TZBFSVITTUSVTC-GDBMZVCRSA-N 1 2 343.431 0.905 20 30 ECEDLO CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC000942972635 610699055 /nfs/dbraw/zinc/69/90/55/610699055.db2.gz BGAYOBIQPGJNSF-YRGRVCCFSA-N 1 2 341.371 0.450 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cn(C)nn3)C[C@@H]2C)nn1 ZINC000943483190 610869252 /nfs/dbraw/zinc/86/92/52/610869252.db2.gz UZRQPYAGMJFWAC-GXTWGEPZSA-N 1 2 344.423 0.233 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cn(C)nn3)C[C@@H]2C)nn1 ZINC000943483190 610869253 /nfs/dbraw/zinc/86/92/53/610869253.db2.gz UZRQPYAGMJFWAC-GXTWGEPZSA-N 1 2 344.423 0.233 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)no3)C[C@@H]2C)nn1 ZINC000943482615 610869308 /nfs/dbraw/zinc/86/93/08/610869308.db2.gz PRIVUGNYVQOPDC-AAEUAGOBSA-N 1 2 345.407 0.796 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)no3)C[C@@H]2C)nn1 ZINC000943482615 610869309 /nfs/dbraw/zinc/86/93/09/610869309.db2.gz PRIVUGNYVQOPDC-AAEUAGOBSA-N 1 2 345.407 0.796 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(C)o3)C[C@@H]2C)nn1 ZINC000943483582 610869622 /nfs/dbraw/zinc/86/96/22/610869622.db2.gz YGVNLZHDPPZHLC-AAEUAGOBSA-N 1 2 345.407 0.796 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3nnc(C)o3)C[C@@H]2C)nn1 ZINC000943483582 610869623 /nfs/dbraw/zinc/86/96/23/610869623.db2.gz YGVNLZHDPPZHLC-AAEUAGOBSA-N 1 2 345.407 0.796 20 30 ECEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000945272304 610987506 /nfs/dbraw/zinc/98/75/06/610987506.db2.gz AJPPUDUEJVDMQV-RISCZKNCSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000945279369 610994909 /nfs/dbraw/zinc/99/49/09/610994909.db2.gz LWCFWTBLIWZMBR-NHYWBVRUSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000945279365 610994935 /nfs/dbraw/zinc/99/49/35/610994935.db2.gz LWCFWTBLIWZMBR-ABAIWWIYSA-N 1 2 340.387 0.819 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)c1 ZINC000943985478 611069043 /nfs/dbraw/zinc/06/90/43/611069043.db2.gz DKRYCVQKJNBWFL-CYBMUJFWSA-N 1 2 340.387 0.963 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)Cc2[nH]cc[nH+]2)[nH]1 ZINC000946292615 611200623 /nfs/dbraw/zinc/20/06/23/611200623.db2.gz KJMBLRGVXSNSON-AAEUAGOBSA-N 1 2 340.387 0.867 20 30 ECEDLO C#CC[C@@H](CO)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000923343781 611231877 /nfs/dbraw/zinc/23/18/77/611231877.db2.gz AMLIZKOXVZVZTF-ROUUACIJSA-N 1 2 344.459 0.486 20 30 ECEDLO C#CC[C@@H](CO)NC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000923343781 611231878 /nfs/dbraw/zinc/23/18/78/611231878.db2.gz AMLIZKOXVZVZTF-ROUUACIJSA-N 1 2 344.459 0.486 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)Sc2nnnn2C2CC2)C1 ZINC000923580776 611268803 /nfs/dbraw/zinc/26/88/03/611268803.db2.gz COSDGTKHLYCYDP-NEPJUHHUSA-N 1 2 334.449 0.702 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)Sc2nnnn2C2CC2)C1 ZINC000923580776 611268804 /nfs/dbraw/zinc/26/88/04/611268804.db2.gz COSDGTKHLYCYDP-NEPJUHHUSA-N 1 2 334.449 0.702 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)Cn2cc[nH+]c2)c1 ZINC000946242825 611316998 /nfs/dbraw/zinc/31/69/98/611316998.db2.gz VOJZRUXRXBWSQQ-KBPBESRZSA-N 1 2 340.387 0.798 20 30 ECEDLO Cn1cc(C[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)c(-c2ccc(C#N)cc2)n1 ZINC000854114559 611323387 /nfs/dbraw/zinc/32/33/87/611323387.db2.gz ZCIHSNBXFFUNOX-CABCVRRESA-N 1 2 325.372 0.379 20 30 ECEDLO Cn1cc(C[N@H+]2C[C@H](O)C[C@H]2C(N)=O)c(-c2ccc(C#N)cc2)n1 ZINC000854114559 611323388 /nfs/dbraw/zinc/32/33/88/611323388.db2.gz ZCIHSNBXFFUNOX-CABCVRRESA-N 1 2 325.372 0.379 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@H]3CC(=O)NC3=O)CC2)cc1 ZINC000929362707 611748544 /nfs/dbraw/zinc/74/85/44/611748544.db2.gz JELCKQNHNURVNH-OAHLLOKOSA-N 1 2 340.383 0.255 20 30 ECEDLO CCc1noc(C[NH+]2CCC3(CC2)CN(C(=O)[C@H](C)C#N)CCO3)n1 ZINC000949053963 611830880 /nfs/dbraw/zinc/83/08/80/611830880.db2.gz QOJBTZIFLGOIDF-CYBMUJFWSA-N 1 2 347.419 0.985 20 30 ECEDLO C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCc3[nH]nnc3C1)CCO2 ZINC000949226830 611908727 /nfs/dbraw/zinc/90/87/27/611908727.db2.gz NFWKESJCHLOTEX-AWEZNQCLSA-N 1 2 343.431 0.236 20 30 ECEDLO C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCc3nn[nH]c3C1)CCO2 ZINC000949226830 611908728 /nfs/dbraw/zinc/90/87/28/611908728.db2.gz NFWKESJCHLOTEX-AWEZNQCLSA-N 1 2 343.431 0.236 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cc1c[nH+]cn1C ZINC000950230509 611915740 /nfs/dbraw/zinc/91/57/40/611915740.db2.gz HUELVPWKXIKJNV-BMFZPTHFSA-N 1 2 346.431 0.661 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000949283676 611927826 /nfs/dbraw/zinc/92/78/26/611927826.db2.gz QSQRHBFELPYVBQ-CYBMUJFWSA-N 1 2 340.387 0.583 20 30 ECEDLO C[C@H](C(N)=O)[N@@H+]1CCOC2(CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000949343823 611945824 /nfs/dbraw/zinc/94/58/24/611945824.db2.gz TZOJQXMCMBRWHB-GFCCVEGCSA-N 1 2 345.403 0.067 20 30 ECEDLO C[C@H](C(N)=O)[N@H+]1CCOC2(CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000949343823 611945826 /nfs/dbraw/zinc/94/58/26/611945826.db2.gz TZOJQXMCMBRWHB-GFCCVEGCSA-N 1 2 345.403 0.067 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000949387027 611960600 /nfs/dbraw/zinc/96/06/00/611960600.db2.gz FTTHJGVSCGZDLF-HIFRSBDPSA-N 1 2 343.431 0.960 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cccc(C(N)=O)c3)CC2)C1 ZINC000949399009 611964828 /nfs/dbraw/zinc/96/48/28/611964828.db2.gz UETWKQNJRCHARB-UHFFFAOYSA-N 1 2 341.411 0.726 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cccc(C(N)=O)c3)CC2)C1 ZINC000949399009 611964831 /nfs/dbraw/zinc/96/48/31/611964831.db2.gz UETWKQNJRCHARB-UHFFFAOYSA-N 1 2 341.411 0.726 20 30 ECEDLO CC#CCN1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000949417375 611971461 /nfs/dbraw/zinc/97/14/61/611971461.db2.gz YASOXSIZEKZIPX-SJORKVTESA-N 1 2 335.448 0.034 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000949452294 611986176 /nfs/dbraw/zinc/98/61/76/611986176.db2.gz IESVJNXHQCCASZ-LBPRGKRZSA-N 1 2 326.360 0.193 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000949452678 611986605 /nfs/dbraw/zinc/98/66/05/611986605.db2.gz NQTNNOSLLVUQIY-LBPRGKRZSA-N 1 2 326.360 0.491 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCC3(CC2)C[N@H+]([C@@H](C)C(N)=O)CCO3)C1 ZINC000949466660 611990216 /nfs/dbraw/zinc/99/02/16/611990216.db2.gz PAOSWTUHNOPJMM-AWEZNQCLSA-N 1 2 335.448 0.910 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCC3(CC2)C[N@@H+]([C@@H](C)C(N)=O)CCO3)C1 ZINC000949466660 611990217 /nfs/dbraw/zinc/99/02/17/611990217.db2.gz PAOSWTUHNOPJMM-AWEZNQCLSA-N 1 2 335.448 0.910 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC2(CC1)CN(CC#N)CCO2 ZINC000949489730 612003168 /nfs/dbraw/zinc/00/31/68/612003168.db2.gz NQOWJEOLXMPJJB-AWEZNQCLSA-N 1 2 331.420 0.805 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CC1)CN(CC#N)CCO2 ZINC000949489730 612003169 /nfs/dbraw/zinc/00/31/69/612003169.db2.gz NQOWJEOLXMPJJB-AWEZNQCLSA-N 1 2 331.420 0.805 20 30 ECEDLO C=CCN1CC[C@@H](N2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1=O ZINC000949554486 612030599 /nfs/dbraw/zinc/03/05/99/612030599.db2.gz KJFZEEAZEASWSO-OAHLLOKOSA-N 1 2 331.420 0.204 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000952926050 612127631 /nfs/dbraw/zinc/12/76/31/612127631.db2.gz FHVWWJIPYAIYRG-KDOFPFPSSA-N 1 2 343.431 0.963 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000953874580 612377786 /nfs/dbraw/zinc/37/77/86/612377786.db2.gz NRKKIPBSJFVZPX-UHFFFAOYSA-N 1 2 340.387 0.846 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000953876650 612379789 /nfs/dbraw/zinc/37/97/89/612379789.db2.gz CQGAKLUMAYNLCF-UHFFFAOYSA-N 1 2 340.387 0.915 20 30 ECEDLO CN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)C1CN(C(=O)C#CC2CC2)C1 ZINC000955267734 612397943 /nfs/dbraw/zinc/39/79/43/612397943.db2.gz KJYIZEOTUAVQFZ-AWEZNQCLSA-N 1 2 326.400 0.912 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1 ZINC000954639879 612480653 /nfs/dbraw/zinc/48/06/53/612480653.db2.gz FAQQTWYXHZAUSJ-HZPDHXFCSA-N 1 2 349.394 0.873 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1 ZINC000954639879 612480655 /nfs/dbraw/zinc/48/06/55/612480655.db2.gz FAQQTWYXHZAUSJ-HZPDHXFCSA-N 1 2 349.394 0.873 20 30 ECEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)C[C@H]3CCC(=O)N3)CC2)c1 ZINC000951721849 612507713 /nfs/dbraw/zinc/50/77/13/612507713.db2.gz GQLHDWQVKILMNC-MRXNPFEDSA-N 1 2 326.400 0.871 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(N(C)C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC000955398176 612543293 /nfs/dbraw/zinc/54/32/93/612543293.db2.gz DVZPNILFCNEPFY-CQSZACIVSA-N 1 2 348.447 0.460 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@](C)(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000956791352 612548512 /nfs/dbraw/zinc/54/85/12/612548512.db2.gz AUCVMGBPVWBWKH-RDTXWAMCSA-N 1 2 335.448 0.781 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@](C)(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000956791352 612548516 /nfs/dbraw/zinc/54/85/16/612548516.db2.gz AUCVMGBPVWBWKH-RDTXWAMCSA-N 1 2 335.448 0.781 20 30 ECEDLO C[C@@]1(NC(=O)c2cc(C#N)c[nH]2)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000956802939 612566324 /nfs/dbraw/zinc/56/63/24/612566324.db2.gz WBFPYAFQJKDTDQ-MRXNPFEDSA-N 1 2 326.360 0.573 20 30 ECEDLO C[C@@]1(NC(=O)c2c[nH]c(C#N)c2)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000956842796 612617395 /nfs/dbraw/zinc/61/73/95/612617395.db2.gz MIBXKIFDTQBJFJ-QGZVFWFLSA-N 1 2 340.387 0.963 20 30 ECEDLO C[C@@]1(NC(=O)c2c[nH]c(C#N)c2)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000956842796 612617401 /nfs/dbraw/zinc/61/74/01/612617401.db2.gz MIBXKIFDTQBJFJ-QGZVFWFLSA-N 1 2 340.387 0.963 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000954109749 612673456 /nfs/dbraw/zinc/67/34/56/612673456.db2.gz DXNSYNZRJPCDOD-UHFFFAOYSA-N 1 2 326.360 0.456 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000955617921 612710166 /nfs/dbraw/zinc/71/01/66/612710166.db2.gz JIDGESZSNLEMNQ-YPMHNXCESA-N 1 2 340.387 0.961 20 30 ECEDLO CN(C(=O)Cc1c[nH+]cn1C)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000954835237 612728471 /nfs/dbraw/zinc/72/84/71/612728471.db2.gz NTBAGNWWZZXUGP-UHFFFAOYSA-N 1 2 326.360 0.145 20 30 ECEDLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000954972995 612829164 /nfs/dbraw/zinc/82/91/64/612829164.db2.gz DFYQRBWFLJBJLG-UHFFFAOYSA-N 1 2 340.387 0.915 20 30 ECEDLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000954973023 612829376 /nfs/dbraw/zinc/82/93/76/612829376.db2.gz FQGPTHUJNLSGDP-UHFFFAOYSA-N 1 2 340.387 0.915 20 30 ECEDLO N#Cc1cc(C(=O)N2CC[NH+]([C@H]3CCN(C(=O)C4CC4)C3)CC2)c[nH]1 ZINC000956593447 612921227 /nfs/dbraw/zinc/92/12/27/612921227.db2.gz UKQWZTLHCVTILM-INIZCTEOSA-N 1 2 341.415 0.655 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)CC(F)(F)F)C2)CC1 ZINC000956605398 612924557 /nfs/dbraw/zinc/92/45/57/612924557.db2.gz KQWDDIDAXLHRRN-NEPJUHHUSA-N 1 2 346.353 0.844 20 30 ECEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccnc1C#N ZINC001164699918 719840045 /nfs/dbraw/zinc/84/00/45/719840045.db2.gz IXRBHDIGBQBWJQ-GUYCJALGSA-N 1 2 345.403 0.581 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@H](C)CC3)C2)C1=O ZINC001078041246 782201854 /nfs/dbraw/zinc/20/18/54/782201854.db2.gz BPICVMNFPQOZMV-WRQOLXDDSA-N 1 2 349.475 0.761 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@H](C)CC3)C2)C1=O ZINC001078041246 782201857 /nfs/dbraw/zinc/20/18/57/782201857.db2.gz BPICVMNFPQOZMV-WRQOLXDDSA-N 1 2 349.475 0.761 20 30 ECEDLO CCO[C@@H](C)c1noc(C[NH2+]CCNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001125818503 738482925 /nfs/dbraw/zinc/48/29/25/738482925.db2.gz JSSHTYWGRYTUBA-JTQLQIEISA-N 1 2 332.364 0.886 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)cc(=O)oc2C)[C@@H](n2ccnn2)C1 ZINC001069974556 790266825 /nfs/dbraw/zinc/26/68/25/790266825.db2.gz FFVNXISJIOZYBS-KGLIPLIRSA-N 1 2 341.371 0.137 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)cc(=O)oc2C)[C@@H](n2ccnn2)C1 ZINC001069974556 790266829 /nfs/dbraw/zinc/26/68/29/790266829.db2.gz FFVNXISJIOZYBS-KGLIPLIRSA-N 1 2 341.371 0.137 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(-c4ncon4)c3)[C@H]2C1 ZINC001083190285 731901711 /nfs/dbraw/zinc/90/17/11/731901711.db2.gz GLVDPGNFBZSMIF-JKSUJKDBSA-N 1 2 338.367 0.895 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(-c4ncon4)c3)[C@H]2C1 ZINC001083190285 731901713 /nfs/dbraw/zinc/90/17/13/731901713.db2.gz GLVDPGNFBZSMIF-JKSUJKDBSA-N 1 2 338.367 0.895 20 30 ECEDLO COc1nccc(C[NH+]2CC([C@H](C)NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000969513831 731940577 /nfs/dbraw/zinc/94/05/77/731940577.db2.gz HNWVJISZDZUCRO-NSHDSACASA-N 1 2 340.387 0.935 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]cn1C ZINC000969598200 731995629 /nfs/dbraw/zinc/99/56/29/731995629.db2.gz XGGIRZHIYGQUPU-AEGPPILISA-N 1 2 329.404 0.714 20 30 ECEDLO C=CCn1cc(C(=O)N(C)C[C@@H](O)CN(C)c2cc[nH+]c(C)n2)nn1 ZINC001125304849 732325935 /nfs/dbraw/zinc/32/59/35/732325935.db2.gz DNQZXACORSZFSE-ZDUSSCGKSA-N 1 2 345.407 0.132 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ncc(C)cc2C)[C@@H](n2ccnn2)C1 ZINC001069983949 790278005 /nfs/dbraw/zinc/27/80/05/790278005.db2.gz WNROQNYSHOAYDV-CVEARBPZSA-N 1 2 338.415 0.969 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ncc(C)cc2C)[C@@H](n2ccnn2)C1 ZINC001069983949 790278008 /nfs/dbraw/zinc/27/80/08/790278008.db2.gz WNROQNYSHOAYDV-CVEARBPZSA-N 1 2 338.415 0.969 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC000969990127 732596534 /nfs/dbraw/zinc/59/65/34/732596534.db2.gz DARHDHLXHRUDAD-WDEREUQCSA-N 1 2 339.827 0.735 20 30 ECEDLO C[C@H](CC(=O)NC[C@@H](C)CNc1ccnc(C#N)n1)n1cc[nH+]c1 ZINC001104238066 732992440 /nfs/dbraw/zinc/99/24/40/732992440.db2.gz BRRGIFXTIBSTNL-QWHCGFSZSA-N 1 2 327.392 0.782 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nc(CCC)no3)C2)nn1 ZINC000970205368 733198464 /nfs/dbraw/zinc/19/84/64/733198464.db2.gz ICTCXISXOSKXDV-GFCCVEGCSA-N 1 2 345.407 0.804 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(C4CC4)o3)C2)nn1 ZINC000970205471 733198482 /nfs/dbraw/zinc/19/84/82/733198482.db2.gz LXTAYZWFXGSOLP-GFCCVEGCSA-N 1 2 343.391 0.729 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)cc(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001069985819 790280397 /nfs/dbraw/zinc/28/03/97/790280397.db2.gz KOGFUMLRWJUPIV-CVEARBPZSA-N 1 2 338.415 0.887 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)cc(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001069985819 790280401 /nfs/dbraw/zinc/28/04/01/790280401.db2.gz KOGFUMLRWJUPIV-CVEARBPZSA-N 1 2 338.415 0.887 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H](C)C2C[NH+](CC(=O)NC3CC3)C2)c1 ZINC000970397763 733464506 /nfs/dbraw/zinc/46/45/06/733464506.db2.gz GQOXZSQCDIYTEJ-LBPRGKRZSA-N 1 2 326.400 0.392 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3nn(C)c4c3CCCC4)[C@H]2C1 ZINC001083201660 733603801 /nfs/dbraw/zinc/60/38/01/733603801.db2.gz YNTCWDGIWPBTMI-JKSUJKDBSA-N 1 2 328.416 0.457 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3nn(C)c4c3CCCC4)[C@H]2C1 ZINC001083201660 733603804 /nfs/dbraw/zinc/60/38/04/733603804.db2.gz YNTCWDGIWPBTMI-JKSUJKDBSA-N 1 2 328.416 0.457 20 30 ECEDLO COc1ccc(C[NH+]2CC([C@@H](C)NC(=O)c3nnc[nH]3)C2)cc1C#N ZINC000970609421 733736878 /nfs/dbraw/zinc/73/68/78/733736878.db2.gz XEHUEICCJTVDHD-LLVKDONJSA-N 1 2 340.387 0.935 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H](C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC000970712724 733860742 /nfs/dbraw/zinc/86/07/42/733860742.db2.gz CEYCQHSOHPCYMX-NWDGAFQWSA-N 1 2 332.404 0.570 20 30 ECEDLO C=C[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1)c1ccccc1 ZINC000970774688 733930762 /nfs/dbraw/zinc/93/07/62/733930762.db2.gz KLNGZKDQLJDGMJ-HUUCEWRRSA-N 1 2 341.415 0.769 20 30 ECEDLO C[C@@H](CNC(=O)CCc1[nH+]ccn1C)CNc1nccnc1C#N ZINC001104289921 733954954 /nfs/dbraw/zinc/95/49/54/733954954.db2.gz YOQAARVEANWXLW-LBPRGKRZSA-N 1 2 327.392 0.879 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C2CCN(C(N)=O)CC2)C1 ZINC000970860609 734022666 /nfs/dbraw/zinc/02/26/66/734022666.db2.gz KMOQOUWODSOMDC-LLVKDONJSA-N 1 2 328.844 0.966 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2COCCO2)C1 ZINC000971119153 734282295 /nfs/dbraw/zinc/28/22/95/734282295.db2.gz CSBXTAQKAHFFPF-RYUDHWBXSA-N 1 2 333.226 0.843 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2COCCO2)C1 ZINC000971119153 734282297 /nfs/dbraw/zinc/28/22/97/734282297.db2.gz CSBXTAQKAHFFPF-RYUDHWBXSA-N 1 2 333.226 0.843 20 30 ECEDLO N#Cc1nccnc1NCC1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001067479051 734339794 /nfs/dbraw/zinc/33/97/94/734339794.db2.gz XNHOSSYGWGDTKA-UHFFFAOYSA-N 1 2 341.375 0.079 20 30 ECEDLO C=CC(C)(C)C(=O)NC[C@@H]1CN(c2[nH+]cnc3c2cnn3C)CCO1 ZINC001104338149 734436172 /nfs/dbraw/zinc/43/61/72/734436172.db2.gz OKPGIXUIGGJRGC-GFCCVEGCSA-N 1 2 344.419 0.897 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc(C4CC4)[nH]c3=O)[C@H]2C1 ZINC001083217070 734534574 /nfs/dbraw/zinc/53/45/74/734534574.db2.gz GGCDXXQRGRGXQV-LSDHHAIUSA-N 1 2 342.399 0.608 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc(C4CC4)[nH]c3=O)[C@H]2C1 ZINC001083217070 734534577 /nfs/dbraw/zinc/53/45/77/734534577.db2.gz GGCDXXQRGRGXQV-LSDHHAIUSA-N 1 2 342.399 0.608 20 30 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C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc4c(cn3)OCCO4)C2)C1 ZINC000972416892 736155244 /nfs/dbraw/zinc/15/52/44/736155244.db2.gz LNOQWFNXHMDGGJ-SFHVURJKSA-N 1 2 345.399 0.956 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4n[nH]cc4c3)C2)C1 ZINC000972428515 736177042 /nfs/dbraw/zinc/17/70/42/736177042.db2.gz LIUCYQGWAFFTNV-SFHVURJKSA-N 1 2 339.399 0.898 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4n[nH]cc4c3)C2)C1 ZINC000972428515 736177043 /nfs/dbraw/zinc/17/70/43/736177043.db2.gz LIUCYQGWAFFTNV-SFHVURJKSA-N 1 2 339.399 0.898 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nccn4C3)C2)C1 ZINC000972440155 736198783 /nfs/dbraw/zinc/19/87/83/736198783.db2.gz CLBFALQSMDLTQQ-LPHOPBHVSA-N 1 2 342.443 0.772 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nccn4C3)C2)C1 ZINC000972440155 736198786 /nfs/dbraw/zinc/19/87/86/736198786.db2.gz CLBFALQSMDLTQQ-LPHOPBHVSA-N 1 2 342.443 0.772 20 30 ECEDLO C#CCN1CCO[C@@]2(CCN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC000972445047 736212760 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CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCNC(=O)CC3)C2)C1 ZINC000972480474 736306527 /nfs/dbraw/zinc/30/65/27/736306527.db2.gz MRWAAMQUOVCDDR-CRAIPNDOSA-N 1 2 333.432 0.229 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCNC(=O)CC3)C2)C1 ZINC000972480474 736306528 /nfs/dbraw/zinc/30/65/28/736306528.db2.gz MRWAAMQUOVCDDR-CRAIPNDOSA-N 1 2 333.432 0.229 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3coc(C(N)=O)c3)C2)C1 ZINC000972481019 736309320 /nfs/dbraw/zinc/30/93/20/736309320.db2.gz WXEBXDQXYWMLIZ-QGZVFWFLSA-N 1 2 331.372 0.319 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3coc(C(N)=O)c3)C2)C1 ZINC000972481019 736309323 /nfs/dbraw/zinc/30/93/23/736309323.db2.gz WXEBXDQXYWMLIZ-QGZVFWFLSA-N 1 2 331.372 0.319 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4n3CCCC4)C2)C1 ZINC000972514314 736508458 /nfs/dbraw/zinc/50/84/58/736508458.db2.gz NPBCBQQHGIGBAP-SFHVURJKSA-N 1 2 328.416 0.770 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4n3CCCC4)C2)C1 ZINC000972514314 736508459 /nfs/dbraw/zinc/50/84/59/736508459.db2.gz NPBCBQQHGIGBAP-SFHVURJKSA-N 1 2 328.416 0.770 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C(C)C)C2)C1 ZINC000972517062 736527793 /nfs/dbraw/zinc/52/77/93/736527793.db2.gz CIVJMMYSMNMLCH-YJBOKZPZSA-N 1 2 333.432 0.322 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C(C)C)C2)C1 ZINC000972517062 736527796 /nfs/dbraw/zinc/52/77/96/736527796.db2.gz CIVJMMYSMNMLCH-YJBOKZPZSA-N 1 2 333.432 0.322 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4[nH]c(=O)[nH]c4c3)C2)C1 ZINC000972571327 736879356 /nfs/dbraw/zinc/87/93/56/736879356.db2.gz BYRHAFPINADFOR-SFHVURJKSA-N 1 2 340.383 0.819 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4[nH]c(=O)[nH]c4c3)C2)C1 ZINC000972571327 736879358 /nfs/dbraw/zinc/87/93/58/736879358.db2.gz BYRHAFPINADFOR-SFHVURJKSA-N 1 2 340.383 0.819 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)s3)C2)C1 ZINC000972596716 737034332 /nfs/dbraw/zinc/03/43/32/737034332.db2.gz NPULCCVVRATEIH-INIZCTEOSA-N 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IVHBOPSWWWVHIM-KRWDZBQOSA-N 1 2 349.456 0.545 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3c(C)csc3=O)C2)C1 ZINC000972669363 737315949 /nfs/dbraw/zinc/31/59/49/737315949.db2.gz LFGXJAQOGSGZHV-INIZCTEOSA-N 1 2 335.429 0.155 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3c(C)csc3=O)C2)C1 ZINC000972669363 737315950 /nfs/dbraw/zinc/31/59/50/737315950.db2.gz LFGXJAQOGSGZHV-INIZCTEOSA-N 1 2 335.429 0.155 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3COc4ccccc4O3)[C@H]2C1 ZINC001083264038 737388009 /nfs/dbraw/zinc/38/80/09/737388009.db2.gz DDTWGYPFDPYDCX-IAOVAPTHSA-N 1 2 328.368 0.371 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3COc4ccccc4O3)[C@H]2C1 ZINC001083264038 737388011 /nfs/dbraw/zinc/38/80/11/737388011.db2.gz DDTWGYPFDPYDCX-IAOVAPTHSA-N 1 2 328.368 0.371 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc(C(N)=O)n3)C2)C1 ZINC000972691750 737395395 /nfs/dbraw/zinc/39/53/95/737395395.db2.gz HKRAGTKJSKKIFR-QGZVFWFLSA-N 1 2 330.388 0.283 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc(C(N)=O)n3)C2)C1 ZINC000972691750 737395401 /nfs/dbraw/zinc/39/54/01/737395401.db2.gz HKRAGTKJSKKIFR-QGZVFWFLSA-N 1 2 330.388 0.283 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C(C)C)N3CCCC3=O)C2)C1 ZINC000972694336 737402151 /nfs/dbraw/zinc/40/21/51/737402151.db2.gz BDTKUEXZXIAVPS-PKOBYXMFSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C(C)C)N3CCCC3=O)C2)C1 ZINC000972694336 737402154 /nfs/dbraw/zinc/40/21/54/737402154.db2.gz BDTKUEXZXIAVPS-PKOBYXMFSA-N 1 2 347.459 0.570 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@H](C[NH2+]Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001023896259 737466259 /nfs/dbraw/zinc/46/62/59/737466259.db2.gz YQKPJTIRBZEWJI-CHWSQXEVSA-N 1 2 342.403 0.510 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cnsn2)C1 ZINC001024022021 737626394 /nfs/dbraw/zinc/62/63/94/737626394.db2.gz ONTBOSBZTPBJRV-ZBFHGGJFSA-N 1 2 347.488 0.964 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3COc4ccccc4O3)[C@H]2C1 ZINC001083265756 737755245 /nfs/dbraw/zinc/75/52/45/737755245.db2.gz PDGOPYHZZXPDCR-QGTPRVQTSA-N 1 2 342.395 0.761 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3COc4ccccc4O3)[C@H]2C1 ZINC001083265756 737755248 /nfs/dbraw/zinc/75/52/48/737755248.db2.gz PDGOPYHZZXPDCR-QGTPRVQTSA-N 1 2 342.395 0.761 20 30 ECEDLO N#Cc1ccc(C(=O)NCC[NH2+]Cc2nc(-c3ccncn3)no2)[nH]1 ZINC001125782787 737771601 /nfs/dbraw/zinc/77/16/01/737771601.db2.gz KISURSHOCIPBJR-UHFFFAOYSA-N 1 2 338.331 0.246 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)C(C)C)C[C@H]1O ZINC001024358782 737920841 /nfs/dbraw/zinc/92/08/41/737920841.db2.gz VSGSELIBKYGUJD-OWCLPIDISA-N 1 2 349.475 0.454 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)C(C)C)C[C@H]1O ZINC001024358782 737920843 /nfs/dbraw/zinc/92/08/43/737920843.db2.gz VSGSELIBKYGUJD-OWCLPIDISA-N 1 2 349.475 0.454 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001024491327 738018429 /nfs/dbraw/zinc/01/84/29/738018429.db2.gz WFWWMNKFLFFDEI-HZPDHXFCSA-N 1 2 338.367 0.278 20 30 ECEDLO CN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)CC1=O ZINC001038308420 738176433 /nfs/dbraw/zinc/17/64/33/738176433.db2.gz CWERAIFUHSNCGU-SJORKVTESA-N 1 2 325.412 0.707 20 30 ECEDLO CN1C[C@H](C(=O)NC[C@@H]2CC[N@H+]2CC#Cc2ccccc2)CC1=O ZINC001038308420 738176436 /nfs/dbraw/zinc/17/64/36/738176436.db2.gz CWERAIFUHSNCGU-SJORKVTESA-N 1 2 325.412 0.707 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cnnn1C ZINC001024661856 738206484 /nfs/dbraw/zinc/20/64/84/738206484.db2.gz PUZSRDGNFVKIBK-BMFZPTHFSA-N 1 2 333.436 0.877 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cnnn1C ZINC001024661856 738206486 /nfs/dbraw/zinc/20/64/86/738206486.db2.gz PUZSRDGNFVKIBK-BMFZPTHFSA-N 1 2 333.436 0.877 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001024812152 738316683 /nfs/dbraw/zinc/31/66/83/738316683.db2.gz JMKTWLBNZWNLIT-LLVKDONJSA-N 1 2 340.815 0.100 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001024812152 738316687 /nfs/dbraw/zinc/31/66/87/738316687.db2.gz JMKTWLBNZWNLIT-LLVKDONJSA-N 1 2 340.815 0.100 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2cnc(C)cn2)nn1 ZINC001028187682 751422549 /nfs/dbraw/zinc/42/25/49/751422549.db2.gz LJVJHUHNAVQTIZ-HNNXBMFYSA-N 1 2 341.419 0.957 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cnc(C)cn2)nn1 ZINC001028187682 751422553 /nfs/dbraw/zinc/42/25/53/751422553.db2.gz LJVJHUHNAVQTIZ-HNNXBMFYSA-N 1 2 341.419 0.957 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccn(C)n2)nn1 ZINC001028188318 751423503 /nfs/dbraw/zinc/42/35/03/751423503.db2.gz ZPBCDKCDTODJML-AWEZNQCLSA-N 1 2 329.408 0.592 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccn(C)n2)nn1 ZINC001028188318 751423510 /nfs/dbraw/zinc/42/35/10/751423510.db2.gz ZPBCDKCDTODJML-AWEZNQCLSA-N 1 2 329.408 0.592 20 30 ECEDLO C#CCOCCC(=O)N(C)[C@@H](C)CNc1[nH+]cnc2c1cnn2C ZINC001104678784 739461495 /nfs/dbraw/zinc/46/14/95/739461495.db2.gz XQDKJJIBOXLDTM-LBPRGKRZSA-N 1 2 330.392 0.662 20 30 ECEDLO C[C@H](CNc1ccnc(C#N)n1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001104730649 739546046 /nfs/dbraw/zinc/54/60/46/739546046.db2.gz JKIHVELUPPUUIU-GFCCVEGCSA-N 1 2 335.371 0.990 20 30 ECEDLO CN(C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)c1cncc(C#N)n1 ZINC001058692267 740523851 /nfs/dbraw/zinc/52/38/51/740523851.db2.gz VPPUQJNMACOQLW-AWEZNQCLSA-N 1 2 339.403 0.920 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc4[nH]c(=O)oc43)[C@H]2C1 ZINC001083293583 740928312 /nfs/dbraw/zinc/92/83/12/740928312.db2.gz LXWSDDKXULUBJP-UONOGXRCSA-N 1 2 327.340 0.692 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc4[nH]c(=O)oc43)[C@H]2C1 ZINC001083293583 740928315 /nfs/dbraw/zinc/92/83/15/740928315.db2.gz LXWSDDKXULUBJP-UONOGXRCSA-N 1 2 327.340 0.692 20 30 ECEDLO CN(C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)c1cnc(C#N)cn1 ZINC001058705525 740970741 /nfs/dbraw/zinc/97/07/41/740970741.db2.gz CXHHSFMSXZVGSS-CYBMUJFWSA-N 1 2 339.403 0.989 20 30 ECEDLO C#CCOc1ccc(C(=O)N2CCC[N@@H+]([C@H](C)C(=O)NC)CC2)cc1 ZINC000982110975 751605015 /nfs/dbraw/zinc/60/50/15/751605015.db2.gz JKKWJDWAVKXEEY-OAHLLOKOSA-N 1 2 343.427 0.981 20 30 ECEDLO C#CCOc1ccc(C(=O)N2CCC[N@H+]([C@H](C)C(=O)NC)CC2)cc1 ZINC000982110975 751605019 /nfs/dbraw/zinc/60/50/19/751605019.db2.gz JKKWJDWAVKXEEY-OAHLLOKOSA-N 1 2 343.427 0.981 20 30 ECEDLO C=CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC001112069906 741099312 /nfs/dbraw/zinc/09/93/12/741099312.db2.gz SBFOIUVZBRKNCZ-GHMZBOCLSA-N 1 2 347.341 0.795 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)cn1 ZINC000974344775 741360359 /nfs/dbraw/zinc/36/03/59/741360359.db2.gz NCWRLTPGGDWOEK-GASCZTMLSA-N 1 2 337.383 0.714 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[NH2+]Cc1cn(C2CN(C(=O)CC)C2)nn1 ZINC001105124264 741393814 /nfs/dbraw/zinc/39/38/14/741393814.db2.gz VHVQPBVOAPVODS-UHFFFAOYSA-N 1 2 348.451 0.586 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)/C=C(/C)CC)C2)nn1 ZINC001105235338 741526124 /nfs/dbraw/zinc/52/61/24/741526124.db2.gz AKJWJCYQVSOOPP-QPEQYQDCSA-N 1 2 346.435 0.410 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCO[C@@H]3CC)C2)nn1 ZINC001105256458 741576989 /nfs/dbraw/zinc/57/69/89/741576989.db2.gz FJCSSARPKIPCTM-JKSUJKDBSA-N 1 2 331.420 0.589 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)[C@@H](C)COC)C2)nn1 ZINC001105259656 741581456 /nfs/dbraw/zinc/58/14/56/741581456.db2.gz HESUNSITYOMDDH-UONOGXRCSA-N 1 2 333.436 0.693 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(F)c(F)c3)C2)nn1 ZINC001105262359 741593925 /nfs/dbraw/zinc/59/39/25/741593925.db2.gz XUNIADFMGPUSQJ-UHFFFAOYSA-N 1 2 331.326 0.976 20 30 ECEDLO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001026618102 741618785 /nfs/dbraw/zinc/61/87/85/741618785.db2.gz FIMCJJIMJAPEBP-FRFSOERESA-N 1 2 340.427 0.822 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]nc3C(C)C)C2)nn1 ZINC001105275698 741620412 /nfs/dbraw/zinc/62/04/12/741620412.db2.gz YWJHKFLHSSYKOU-UHFFFAOYSA-N 1 2 341.419 0.935 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[C@H](OC)C3)C2)nn1 ZINC001105275218 741620763 /nfs/dbraw/zinc/62/07/63/741620763.db2.gz HHJYADSNCYKXLE-BBRMVZONSA-N 1 2 331.420 0.589 20 30 ECEDLO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001026618560 741621308 /nfs/dbraw/zinc/62/13/08/741621308.db2.gz JIQBDXYRCVSFFO-XKVFNRALSA-N 1 2 326.400 0.890 20 30 ECEDLO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001026618560 741621311 /nfs/dbraw/zinc/62/13/11/741621311.db2.gz JIQBDXYRCVSFFO-XKVFNRALSA-N 1 2 326.400 0.890 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3occ4c3CCC4)C2)nn1 ZINC001105290435 741652046 /nfs/dbraw/zinc/65/20/46/741652046.db2.gz QVPMGPQHIRMOCY-UHFFFAOYSA-N 1 2 325.372 0.780 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](OCC)C3CCCC3)C2)nn1 ZINC001105292443 741656998 /nfs/dbraw/zinc/65/69/98/741656998.db2.gz PATVIMKNDLKRSU-KRWDZBQOSA-N 1 2 345.447 0.980 20 30 ECEDLO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(CCC)[nH]n3)C2)nn1 ZINC001105297925 741675917 /nfs/dbraw/zinc/67/59/17/741675917.db2.gz YCCVJJARBSZYIL-UHFFFAOYSA-N 1 2 329.408 0.926 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC(n2cc(C[NH2+]CC(=O)NCC)nn2)C1 ZINC001105305675 741700663 /nfs/dbraw/zinc/70/06/63/741700663.db2.gz LZIJCJPKPQWSOH-STQMWFEESA-N 1 2 348.451 0.345 20 30 ECEDLO CC#CCCCC(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(=O)NC)nn2)C1 ZINC001105308011 741709452 /nfs/dbraw/zinc/70/94/52/741709452.db2.gz GYOITBOANYWMNJ-ZDUSSCGKSA-N 1 2 346.435 0.079 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CC[C@@H](C)O3)C2)nn1 ZINC001105317014 741750807 /nfs/dbraw/zinc/75/08/07/741750807.db2.gz DBRWTBFWAKIEDY-CJNGLKHVSA-N 1 2 331.420 0.732 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ncn(C(C)(C)C)n3)C2)nn1 ZINC001105326856 741803727 /nfs/dbraw/zinc/80/37/27/741803727.db2.gz JMGQOGIWMNQVLU-UHFFFAOYSA-N 1 2 342.407 0.045 20 30 ECEDLO C=CCC1(C(=O)N(CCO)CCNC(=O)Cc2c[nH+]cn2C)CCC1 ZINC001058734001 741851613 /nfs/dbraw/zinc/85/16/13/741851613.db2.gz XSIIRJHBRQCBMY-UHFFFAOYSA-N 1 2 348.447 0.646 20 30 ECEDLO C#CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCCS2(=O)=O)C(C)(C)C1 ZINC000974660888 741968248 /nfs/dbraw/zinc/96/82/48/741968248.db2.gz FLWOXINTJSZBKP-KGLIPLIRSA-N 1 2 326.462 0.804 20 30 ECEDLO C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCCCS2(=O)=O)C(C)(C)C1 ZINC000974660888 741968251 /nfs/dbraw/zinc/96/82/51/741968251.db2.gz FLWOXINTJSZBKP-KGLIPLIRSA-N 1 2 326.462 0.804 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@H]32)c1 ZINC000975067485 742471161 /nfs/dbraw/zinc/47/11/61/742471161.db2.gz UKAFWOFNLZQJGX-NVXWUHKLSA-N 1 2 349.394 0.633 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@]2(C)C[N@H+](Cc3nc(N(C)C)no3)C[C@]2(C)C1 ZINC000982235977 751735488 /nfs/dbraw/zinc/73/54/88/751735488.db2.gz ABZLYLARNLPLSF-AFAVFJNCSA-N 1 2 346.435 0.966 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@]2(C)C[N@@H+](Cc3nc(N(C)C)no3)C[C@]2(C)C1 ZINC000982235977 751735495 /nfs/dbraw/zinc/73/54/95/751735495.db2.gz ABZLYLARNLPLSF-AFAVFJNCSA-N 1 2 346.435 0.966 20 30 ECEDLO C[C@H](c1nnnn1C)[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)C#N)C[C@@]2(C)C1 ZINC000982237313 751747757 /nfs/dbraw/zinc/74/77/57/751747757.db2.gz ZJSUWHCEMVNYPD-SHUKQUCYSA-N 1 2 331.424 0.601 20 30 ECEDLO C[C@H](c1nnnn1C)[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)C#N)C[C@@]2(C)C1 ZINC000982237313 751747760 /nfs/dbraw/zinc/74/77/60/751747760.db2.gz ZJSUWHCEMVNYPD-SHUKQUCYSA-N 1 2 331.424 0.601 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC000975356170 742774436 /nfs/dbraw/zinc/77/44/36/742774436.db2.gz VTXMITFFVUBGIG-ZBFHGGJFSA-N 1 2 343.431 0.476 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC000975356170 742774440 /nfs/dbraw/zinc/77/44/40/742774440.db2.gz VTXMITFFVUBGIG-ZBFHGGJFSA-N 1 2 343.431 0.476 20 30 ECEDLO CN(C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(=O)c1c[nH]c(C#N)c1 ZINC000988268428 751766775 /nfs/dbraw/zinc/76/67/75/751766775.db2.gz JGJGHCWWWBWDCQ-GFCCVEGCSA-N 1 2 340.387 0.773 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NCC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)c1 ZINC001059865517 751773903 /nfs/dbraw/zinc/77/39/03/751773903.db2.gz QWYAESKQUDYBRC-ZDUSSCGKSA-N 1 2 340.387 0.751 20 30 ECEDLO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CC[NH+](Cc2nnnn2C)CC1 ZINC000997005866 743119226 /nfs/dbraw/zinc/11/92/26/743119226.db2.gz PEMFFASWYYVXGN-LLVKDONJSA-N 1 2 342.407 0.440 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)cn1 ZINC000997102350 743238254 /nfs/dbraw/zinc/23/82/54/743238254.db2.gz QFVKSNZRQLTONV-AWEZNQCLSA-N 1 2 349.394 0.463 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)OCCC(C)C)C2)nn1 ZINC001105381203 743443602 /nfs/dbraw/zinc/44/36/02/743443602.db2.gz RTPPEBWKCDAGLZ-CQSZACIVSA-N 1 2 333.436 0.835 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCC[C@@H]3OC)C2)nn1 ZINC001105381356 743449770 /nfs/dbraw/zinc/44/97/70/743449770.db2.gz YAMRCYNBLCMJPK-CVEARBPZSA-N 1 2 331.420 0.589 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3ccncn3)CC2)C1=O ZINC000982271424 751827386 /nfs/dbraw/zinc/82/73/86/751827386.db2.gz PKLZRZXATDSCOY-HNNXBMFYSA-N 1 2 329.404 0.411 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3ccncn3)CC2)C1=O ZINC000982271424 751827397 /nfs/dbraw/zinc/82/73/97/751827397.db2.gz PKLZRZXATDSCOY-HNNXBMFYSA-N 1 2 329.404 0.411 20 30 ECEDLO C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cc[nH+]c2)C3)cn1 ZINC000997877675 743865575 /nfs/dbraw/zinc/86/55/75/743865575.db2.gz CKIUEXPBAPAUCQ-IKGGRYGDSA-N 1 2 349.394 0.821 20 30 ECEDLO Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)n1 ZINC001058929782 751870928 /nfs/dbraw/zinc/87/09/28/751870928.db2.gz OHKGAWAKPYABHE-LBPRGKRZSA-N 1 2 325.376 0.646 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(C#N)c1 ZINC000976408324 743918384 /nfs/dbraw/zinc/91/83/84/743918384.db2.gz MCCROMAWLBJERB-FOLVSLTJSA-N 1 2 338.371 0.049 20 30 ECEDLO C#Cc1cncc(C(=O)NC2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)c1 ZINC000999316992 744621783 /nfs/dbraw/zinc/62/17/83/744621783.db2.gz CDFCLVVLEUKHLZ-AWEZNQCLSA-N 1 2 349.394 0.463 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1c1cncc(C#N)n1 ZINC001067543039 744723127 /nfs/dbraw/zinc/72/31/27/744723127.db2.gz RPBKQUKRGGNTHK-STQMWFEESA-N 1 2 325.376 0.718 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cncn3C)CC2(C)C)nn1 ZINC000977253555 744817205 /nfs/dbraw/zinc/81/72/05/744817205.db2.gz RDCFELSHAWEZFE-OAHLLOKOSA-N 1 2 343.435 0.838 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cncn3C)CC2(C)C)nn1 ZINC000977253555 744817206 /nfs/dbraw/zinc/81/72/06/744817206.db2.gz RDCFELSHAWEZFE-OAHLLOKOSA-N 1 2 343.435 0.838 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001006910281 751967074 /nfs/dbraw/zinc/96/70/74/751967074.db2.gz RWCDKOSOOOIMSP-YUELXQCFSA-N 1 2 332.404 0.437 20 30 ECEDLO C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001058784949 745145577 /nfs/dbraw/zinc/14/55/77/745145577.db2.gz JCXNFWKZNKWDRA-ZDUSSCGKSA-N 1 2 334.420 0.733 20 30 ECEDLO C=CCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001058784948 745145666 /nfs/dbraw/zinc/14/56/66/745145666.db2.gz JCXNFWKZNKWDRA-CYBMUJFWSA-N 1 2 334.420 0.733 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](OC)C3CCCCC3)C2)nn1 ZINC001105385103 745261882 /nfs/dbraw/zinc/26/18/82/745261882.db2.gz VBMHYWAIJNPPKF-KRWDZBQOSA-N 1 2 345.447 0.980 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cc(C)n(C)n3)C2)nn1 ZINC001098626538 745451423 /nfs/dbraw/zinc/45/14/23/745451423.db2.gz ULQWYICEOBEBEJ-HNNXBMFYSA-N 1 2 341.419 0.520 20 30 ECEDLO N#Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)NC2CC2)c[nH]1 ZINC001029277543 745507649 /nfs/dbraw/zinc/50/76/49/745507649.db2.gz SGZGYXVXXWCQKC-GASCZTMLSA-N 1 2 327.388 0.454 20 30 ECEDLO N#Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NC2CC2)c[nH]1 ZINC001029277543 745507653 /nfs/dbraw/zinc/50/76/53/745507653.db2.gz SGZGYXVXXWCQKC-GASCZTMLSA-N 1 2 327.388 0.454 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001028268878 752018876 /nfs/dbraw/zinc/01/88/76/752018876.db2.gz BFVVVGOGOTUUDA-QWRGUYRKSA-N 1 2 330.226 0.754 20 30 ECEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001028268878 752018884 /nfs/dbraw/zinc/01/88/84/752018884.db2.gz BFVVVGOGOTUUDA-QWRGUYRKSA-N 1 2 330.226 0.754 20 30 ECEDLO CCc1noc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)n1 ZINC000978029713 745830535 /nfs/dbraw/zinc/83/05/35/745830535.db2.gz GHLCTOYCPLFKIB-XYYAHUGASA-N 1 2 340.387 0.940 20 30 ECEDLO CCc1noc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)n1 ZINC000978029713 745830538 /nfs/dbraw/zinc/83/05/38/745830538.db2.gz GHLCTOYCPLFKIB-XYYAHUGASA-N 1 2 340.387 0.940 20 30 ECEDLO N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)n1 ZINC001059336822 746005142 /nfs/dbraw/zinc/00/51/42/746005142.db2.gz VRDFDQSVYCLNDK-JHJVBQTASA-N 1 2 337.387 0.866 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)nn1 ZINC001098703569 746016764 /nfs/dbraw/zinc/01/67/64/746016764.db2.gz VTBYQEPABPAXFB-CAOSSQGBSA-N 1 2 329.404 0.057 20 30 ECEDLO N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001059338707 746020824 /nfs/dbraw/zinc/02/08/24/746020824.db2.gz JFSBMYJTOGZSLT-AVGNSLFASA-N 1 2 337.387 0.866 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@H]([N@@H+](C)Cc3cn(C)nn3)C2)nn1 ZINC001027607422 746169382 /nfs/dbraw/zinc/16/93/82/746169382.db2.gz VXUTVWWBWMVDDG-AWEZNQCLSA-N 1 2 344.423 0.329 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@H]([N@H+](C)Cc3cn(C)nn3)C2)nn1 ZINC001027607422 746169386 /nfs/dbraw/zinc/16/93/86/746169386.db2.gz VXUTVWWBWMVDDG-AWEZNQCLSA-N 1 2 344.423 0.329 20 30 ECEDLO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001027618532 746271409 /nfs/dbraw/zinc/27/14/09/746271409.db2.gz KDEMHNYSTWZENP-GFCCVEGCSA-N 1 2 330.392 0.180 20 30 ECEDLO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001027618532 746271414 /nfs/dbraw/zinc/27/14/14/746271414.db2.gz KDEMHNYSTWZENP-GFCCVEGCSA-N 1 2 330.392 0.180 20 30 ECEDLO Cn1cnnc1C[NH+]1CCC(CNC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001001331824 746284016 /nfs/dbraw/zinc/28/40/16/746284016.db2.gz ZUBCPRLIAVENBG-UHFFFAOYSA-N 1 2 327.392 0.657 20 30 ECEDLO C[C@H](CC(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1)n1cc[nH+]c1 ZINC001001358087 746304932 /nfs/dbraw/zinc/30/49/32/746304932.db2.gz VEQOEKMWFZVGNC-GFCCVEGCSA-N 1 2 340.387 0.922 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2=CC[N@H+](Cc3cnnn3C)CC2)cn1 ZINC001001384778 746330996 /nfs/dbraw/zinc/33/09/96/746330996.db2.gz VPJZRCOZZMQJLH-UHFFFAOYSA-N 1 2 336.399 0.754 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2=CC[N@@H+](Cc3cnnn3C)CC2)cn1 ZINC001001384778 746331003 /nfs/dbraw/zinc/33/10/03/746331003.db2.gz VPJZRCOZZMQJLH-UHFFFAOYSA-N 1 2 336.399 0.754 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2nccnc2C(N)=O)[C@H]1CC ZINC001087822787 746413727 /nfs/dbraw/zinc/41/37/27/746413727.db2.gz JZNYQGCKDIUIMR-WDEREUQCSA-N 1 2 337.811 0.911 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2nccnc2C(N)=O)[C@H]1CC ZINC001087822787 746413730 /nfs/dbraw/zinc/41/37/30/746413730.db2.gz JZNYQGCKDIUIMR-WDEREUQCSA-N 1 2 337.811 0.911 20 30 ECEDLO Cn1nnc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccc(C#N)c2)n1 ZINC001029428630 746430877 /nfs/dbraw/zinc/43/08/77/746430877.db2.gz CZBUSXCAPLDVHB-GASCZTMLSA-N 1 2 337.387 0.571 20 30 ECEDLO Cn1nnc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cccc(C#N)c2)n1 ZINC001029428630 746430879 /nfs/dbraw/zinc/43/08/79/746430879.db2.gz CZBUSXCAPLDVHB-GASCZTMLSA-N 1 2 337.387 0.571 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nnc(C)[nH]4)C[C@H]32)c1 ZINC000978709183 746609498 /nfs/dbraw/zinc/60/94/98/746609498.db2.gz HMXNLSIOJITLGH-PHZGNYQRSA-N 1 2 336.399 0.597 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nnc(C)[nH]4)C[C@H]32)c1 ZINC000978709183 746609500 /nfs/dbraw/zinc/60/95/00/746609500.db2.gz HMXNLSIOJITLGH-PHZGNYQRSA-N 1 2 336.399 0.597 20 30 ECEDLO COc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)on1 ZINC001083419420 746644008 /nfs/dbraw/zinc/64/40/08/746644008.db2.gz FHPJPXGQIHJXAE-KGLIPLIRSA-N 1 2 342.355 0.530 20 30 ECEDLO COc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)on1 ZINC001083419420 746644010 /nfs/dbraw/zinc/64/40/10/746644010.db2.gz FHPJPXGQIHJXAE-KGLIPLIRSA-N 1 2 342.355 0.530 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(N(C)C)no3)CC[C@@H]2C1 ZINC001087911065 746645237 /nfs/dbraw/zinc/64/52/37/746645237.db2.gz JCQBUXMEBWJFTE-XQQFMLRXSA-N 1 2 332.408 0.576 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3nc(N(C)C)no3)CC[C@@H]2C1 ZINC001087911065 746645239 /nfs/dbraw/zinc/64/52/39/746645239.db2.gz JCQBUXMEBWJFTE-XQQFMLRXSA-N 1 2 332.408 0.576 20 30 ECEDLO Cn1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1 ZINC001087940488 746694897 /nfs/dbraw/zinc/69/48/97/746694897.db2.gz KZOFDWYGZYJBHB-YPMHNXCESA-N 1 2 340.391 0.004 20 30 ECEDLO Cn1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1 ZINC001087940488 746694899 /nfs/dbraw/zinc/69/48/99/746694899.db2.gz KZOFDWYGZYJBHB-YPMHNXCESA-N 1 2 340.391 0.004 20 30 ECEDLO CO[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@H]1NC(=O)CSCC#N ZINC001211886595 746739372 /nfs/dbraw/zinc/73/93/72/746739372.db2.gz QCCDNIFYINKFBG-TZMCWYRMSA-N 1 2 338.433 0.864 20 30 ECEDLO CO[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@H]1NC(=O)CSCC#N ZINC001211886595 746739376 /nfs/dbraw/zinc/73/93/76/746739376.db2.gz QCCDNIFYINKFBG-TZMCWYRMSA-N 1 2 338.433 0.864 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001002150501 747029623 /nfs/dbraw/zinc/02/96/23/747029623.db2.gz OMSXPIMGBSBASC-YOEHRIQHSA-N 1 2 346.431 0.898 20 30 ECEDLO CCCCCCC[N@@H+]1C[C@@H](NC(=O)CS(C)(=O)=O)[C@H](OC)C1 ZINC001211972664 752186420 /nfs/dbraw/zinc/18/64/20/752186420.db2.gz VLTJZPZKCWCYFL-ZIAGYGMSSA-N 1 2 334.482 0.817 20 30 ECEDLO CCCCCCC[N@H+]1C[C@@H](NC(=O)CS(C)(=O)=O)[C@H](OC)C1 ZINC001211972664 752186425 /nfs/dbraw/zinc/18/64/25/752186425.db2.gz VLTJZPZKCWCYFL-ZIAGYGMSSA-N 1 2 334.482 0.817 20 30 ECEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2cnnn2C)CC1 ZINC001002729177 747707371 /nfs/dbraw/zinc/70/73/71/747707371.db2.gz JCPUXCLXHGLJTK-UHFFFAOYSA-N 1 2 328.214 0.918 20 30 ECEDLO C[NH+](C)[C@H](C(=O)N1C[C@H]2CCN(CC#N)C[C@H]2C1)c1cccnc1 ZINC001088214237 747753303 /nfs/dbraw/zinc/75/33/03/747753303.db2.gz CNQIERNXOXELAD-IKGGRYGDSA-N 1 2 327.432 0.988 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1CN(C(=O)[C@H](C)C#N)C1)C2 ZINC001002782435 747779081 /nfs/dbraw/zinc/77/90/81/747779081.db2.gz QRUIRBKHWNAYTA-MFKMUULPSA-N 1 2 329.404 0.557 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1CN(C(=O)[C@H](C)C#N)C1)CC2 ZINC001002782435 747779084 /nfs/dbraw/zinc/77/90/84/747779084.db2.gz QRUIRBKHWNAYTA-MFKMUULPSA-N 1 2 329.404 0.557 20 30 ECEDLO C=CCCC1(C(=O)NCCN(CCO)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001058949280 752225200 /nfs/dbraw/zinc/22/52/00/752225200.db2.gz OPSJQHQZVRWDID-UHFFFAOYSA-N 1 2 334.420 0.636 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000979537082 747987008 /nfs/dbraw/zinc/98/70/08/747987008.db2.gz SOPPXGUJNWAAKK-NJURLYQPSA-N 1 2 330.388 0.116 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)c[nH]1 ZINC000979668544 748192824 /nfs/dbraw/zinc/19/28/24/748192824.db2.gz KFQLXXGPQFBJRW-AULYBMBSSA-N 1 2 326.360 0.408 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cn3ncc4ccccc43)C2)nn1 ZINC001105343946 748236307 /nfs/dbraw/zinc/23/63/07/748236307.db2.gz DIJJLXRJMNTEKM-UHFFFAOYSA-N 1 2 349.398 0.434 20 30 ECEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2coc(S(N)(=O)=O)c2)CC1 ZINC001003185504 748271781 /nfs/dbraw/zinc/27/17/81/748271781.db2.gz SXSNWSYHWGSWBH-UHFFFAOYSA-N 1 2 347.824 0.874 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001059554140 748302400 /nfs/dbraw/zinc/30/24/00/748302400.db2.gz CEMPUZFXOSBWQC-CXAGYDPISA-N 1 2 334.420 0.634 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001059554141 748302618 /nfs/dbraw/zinc/30/26/18/748302618.db2.gz CEMPUZFXOSBWQC-DYVFJYSZSA-N 1 2 334.420 0.634 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)CCN(C)c1ncnc2c1C[N@H+](C)CC2 ZINC001105469576 752258651 /nfs/dbraw/zinc/25/86/51/752258651.db2.gz WJDCYUSHDYVWQC-AWEZNQCLSA-N 1 2 345.447 0.397 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)CCN(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC001105469576 752258653 /nfs/dbraw/zinc/25/86/53/752258653.db2.gz WJDCYUSHDYVWQC-AWEZNQCLSA-N 1 2 345.447 0.397 20 30 ECEDLO C#CCOCCC(=O)NCC[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001059561281 748428881 /nfs/dbraw/zinc/42/88/81/748428881.db2.gz VPRPHBSFQRLITM-OAHLLOKOSA-N 1 2 346.431 0.737 20 30 ECEDLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 ZINC000979819534 748503196 /nfs/dbraw/zinc/50/31/96/748503196.db2.gz JVAONYSOCLZDIO-NUEKZKHPSA-N 1 2 326.400 0.719 20 30 ECEDLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 ZINC000979819526 748503364 /nfs/dbraw/zinc/50/33/64/748503364.db2.gz JVAONYSOCLZDIO-CWRNSKLLSA-N 1 2 326.400 0.719 20 30 ECEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001003436353 748554516 /nfs/dbraw/zinc/55/45/16/748554516.db2.gz GCVIWJKPIUQLDT-NSHDSACASA-N 1 2 345.241 0.499 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001027859021 748787393 /nfs/dbraw/zinc/78/73/93/748787393.db2.gz JTQKWMQSWYJJLF-UWVGGRQHSA-N 1 2 332.198 0.584 20 30 ECEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001027859021 748787397 /nfs/dbraw/zinc/78/73/97/748787397.db2.gz JTQKWMQSWYJJLF-UWVGGRQHSA-N 1 2 332.198 0.584 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001003780615 748886070 /nfs/dbraw/zinc/88/60/70/748886070.db2.gz ZPDANYYIJLIAFN-CZUORRHYSA-N 1 2 348.447 0.364 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001003780615 748886075 /nfs/dbraw/zinc/88/60/75/748886075.db2.gz ZPDANYYIJLIAFN-CZUORRHYSA-N 1 2 348.447 0.364 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001003780612 748886305 /nfs/dbraw/zinc/88/63/05/748886305.db2.gz ZPDANYYIJLIAFN-CJNGLKHVSA-N 1 2 348.447 0.364 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001003780612 748886308 /nfs/dbraw/zinc/88/63/08/748886308.db2.gz ZPDANYYIJLIAFN-CJNGLKHVSA-N 1 2 348.447 0.364 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001059648408 749114510 /nfs/dbraw/zinc/11/45/10/749114510.db2.gz RLSKTVHJCMSSJL-HUUCEWRRSA-N 1 2 346.431 0.735 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001059648408 749114517 /nfs/dbraw/zinc/11/45/17/749114517.db2.gz RLSKTVHJCMSSJL-HUUCEWRRSA-N 1 2 346.431 0.735 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001013926799 761921203 /nfs/dbraw/zinc/92/12/03/761921203.db2.gz KGOHFQKPMDCQIN-MFKMUULPSA-N 1 2 326.360 0.571 20 30 ECEDLO C=CCCOCC(=O)N(C)CCN(C)c1ncnc2c1C[N@H+](C)CC2 ZINC001105424000 749134451 /nfs/dbraw/zinc/13/44/51/749134451.db2.gz PQINYDOTMWLOKV-UHFFFAOYSA-N 1 2 347.463 0.952 20 30 ECEDLO C=CCCOCC(=O)N(C)CCN(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC001105424000 749134456 /nfs/dbraw/zinc/13/44/56/749134456.db2.gz PQINYDOTMWLOKV-UHFFFAOYSA-N 1 2 347.463 0.952 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)C3=COCCC3)CC2)CC1 ZINC000985823824 749180350 /nfs/dbraw/zinc/18/03/50/749180350.db2.gz ZLUUJTNSMAESGE-UHFFFAOYSA-N 1 2 348.447 0.749 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@]34C[C@H]3COC4)CC2)CC1 ZINC000985828508 749191039 /nfs/dbraw/zinc/19/10/39/749191039.db2.gz HQRROTFJLRGRFF-YJBOKZPZSA-N 1 2 348.447 0.091 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ccnc(F)c3)C2)nn1 ZINC001098632209 749303800 /nfs/dbraw/zinc/30/38/00/749303800.db2.gz AHQLNLAZCTZYKO-AWEZNQCLSA-N 1 2 328.351 0.622 20 30 ECEDLO COCCn1cc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)nn1 ZINC001004433824 749491233 /nfs/dbraw/zinc/49/12/33/749491233.db2.gz ITYXEJQGBBPYKI-MRXNPFEDSA-N 1 2 346.435 0.765 20 30 ECEDLO COCCn1cc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)nn1 ZINC001004433824 749491236 /nfs/dbraw/zinc/49/12/36/749491236.db2.gz ITYXEJQGBBPYKI-MRXNPFEDSA-N 1 2 346.435 0.765 20 30 ECEDLO C=CCCC(=O)NCCN(CCOC)c1[nH+]cnc2c1cnn2C ZINC001126280179 749516060 /nfs/dbraw/zinc/51/60/60/749516060.db2.gz LKWSBGKVXKMWGR-UHFFFAOYSA-N 1 2 332.408 0.899 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001004520982 749591393 /nfs/dbraw/zinc/59/13/93/749591393.db2.gz IMUCGPYITYMNSL-CVEARBPZSA-N 1 2 346.431 0.518 20 30 ECEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccc(C(N)=O)[nH]2)CC1 ZINC001004549431 749611348 /nfs/dbraw/zinc/61/13/48/749611348.db2.gz ZBPQNTQEMQVRPX-OAHLLOKOSA-N 1 2 329.404 0.954 20 30 ECEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccc(C(N)=O)[nH]2)CC1 ZINC001004549431 749611351 /nfs/dbraw/zinc/61/13/51/749611351.db2.gz ZBPQNTQEMQVRPX-OAHLLOKOSA-N 1 2 329.404 0.954 20 30 ECEDLO Cn1nc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)ccc1=O ZINC001004610938 749683807 /nfs/dbraw/zinc/68/38/07/749683807.db2.gz SZKVKRJALKORHQ-OAHLLOKOSA-N 1 2 329.404 0.620 20 30 ECEDLO Cn1nc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)ccc1=O ZINC001004610938 749683813 /nfs/dbraw/zinc/68/38/13/749683813.db2.gz SZKVKRJALKORHQ-OAHLLOKOSA-N 1 2 329.404 0.620 20 30 ECEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC001004622609 749700217 /nfs/dbraw/zinc/70/02/17/749700217.db2.gz OGIXUEGLBMMYEL-AWEZNQCLSA-N 1 2 332.404 0.362 20 30 ECEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC001004622609 749700220 /nfs/dbraw/zinc/70/02/20/749700220.db2.gz OGIXUEGLBMMYEL-AWEZNQCLSA-N 1 2 332.404 0.362 20 30 ECEDLO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCCCN1C(=O)c1cc(C#N)c[nH]1 ZINC001004799501 749881748 /nfs/dbraw/zinc/88/17/48/749881748.db2.gz KCEBUUSPKLJBPV-RISCZKNCSA-N 1 2 342.407 0.583 20 30 ECEDLO CN(CCN(C)c1ccnc(C#N)n1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001105432010 750056345 /nfs/dbraw/zinc/05/63/45/750056345.db2.gz DGRHIGJMPFPAIJ-UHFFFAOYSA-N 1 2 327.392 0.944 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3cn(C)nc3C)CC2)C1=O ZINC000980850081 750260059 /nfs/dbraw/zinc/26/00/59/750260059.db2.gz PQLAEKJMZJILDE-INIZCTEOSA-N 1 2 345.447 0.663 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3cn(C)nc3C)CC2)C1=O ZINC000980850081 750260062 /nfs/dbraw/zinc/26/00/62/750260062.db2.gz PQLAEKJMZJILDE-INIZCTEOSA-N 1 2 345.447 0.663 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3n[nH]c(C)c3C)CC2)C1=O ZINC000980866813 750285419 /nfs/dbraw/zinc/28/54/19/750285419.db2.gz GNAAIPABWZTVTD-OAHLLOKOSA-N 1 2 345.447 0.961 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3n[nH]c(C)c3C)CC2)C1=O ZINC000980866813 750285427 /nfs/dbraw/zinc/28/54/27/750285427.db2.gz GNAAIPABWZTVTD-OAHLLOKOSA-N 1 2 345.447 0.961 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3nc(C)oc3C)C2)nn1 ZINC001105347915 750356365 /nfs/dbraw/zinc/35/63/65/750356365.db2.gz RJFVIPNFFIGJBF-UHFFFAOYSA-N 1 2 328.376 0.693 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nnc(CC)o3)[C@H]2C)nn1 ZINC000987135713 750523993 /nfs/dbraw/zinc/52/39/93/750523993.db2.gz QZOIVRSDLUELSV-NEPJUHHUSA-N 1 2 345.407 0.802 20 30 ECEDLO CN(C(=O)[C@H]1COCC[N@@H+]1CC1CCC1)C1CCN(CC#N)CC1 ZINC001005773991 750620354 /nfs/dbraw/zinc/62/03/54/750620354.db2.gz TYWORPWAGZKWHX-QGZVFWFLSA-N 1 2 334.464 0.934 20 30 ECEDLO CN(C(=O)[C@H]1COCC[N@H+]1CC1CCC1)C1CCN(CC#N)CC1 ZINC001005773991 750620355 /nfs/dbraw/zinc/62/03/55/750620355.db2.gz TYWORPWAGZKWHX-QGZVFWFLSA-N 1 2 334.464 0.934 20 30 ECEDLO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001005930959 750814449 /nfs/dbraw/zinc/81/44/49/750814449.db2.gz ZIYXOBPLZXOQDI-LLVKDONJSA-N 1 2 340.387 0.439 20 30 ECEDLO Cc1nc(N(C)C)nc(NC[C@@H](O)CNC(=O)C#CC(C)(C)C)[nH+]1 ZINC001105825919 762077119 /nfs/dbraw/zinc/07/71/19/762077119.db2.gz TYRFQOKUOMLFIN-LBPRGKRZSA-N 1 2 334.424 0.185 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCO[C@H](C(C)C)C3)C2)nn1 ZINC001105357641 750939401 /nfs/dbraw/zinc/93/94/01/750939401.db2.gz IBHYFPOCERVWIK-PBHICJAKSA-N 1 2 345.447 0.835 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000987649098 751053138 /nfs/dbraw/zinc/05/31/38/751053138.db2.gz LWRHFLNJGJIBFA-RISCZKNCSA-N 1 2 340.387 0.961 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001006185521 751099445 /nfs/dbraw/zinc/09/94/45/751099445.db2.gz PLZMCUQFOZQSMU-WQVCFCJDSA-N 1 2 346.431 0.897 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001028136465 751173356 /nfs/dbraw/zinc/17/33/56/751173356.db2.gz QAGDWYMDMQUHOQ-MCIONIFRSA-N 1 2 343.855 0.955 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001028136465 751173358 /nfs/dbraw/zinc/17/33/58/751173358.db2.gz QAGDWYMDMQUHOQ-MCIONIFRSA-N 1 2 343.855 0.955 20 30 ECEDLO O=C([C@@H]1CNC(=O)N1)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000981850604 751191816 /nfs/dbraw/zinc/19/18/16/751191816.db2.gz NHBCMRLXGYXLQN-INIZCTEOSA-N 1 2 344.390 0.393 20 30 ECEDLO O=C([C@@H]1CNC(=O)N1)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000981850604 751191819 /nfs/dbraw/zinc/19/18/19/751191819.db2.gz NHBCMRLXGYXLQN-INIZCTEOSA-N 1 2 344.390 0.393 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(C(=O)[C@@H]3CNC(=O)N3)CC2)c1 ZINC000981850723 751198312 /nfs/dbraw/zinc/19/83/12/751198312.db2.gz RGBWUSZNFMZIHX-HNNXBMFYSA-N 1 2 345.378 0.413 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C(=O)[C@@H]3CNC(=O)N3)CC2)c1 ZINC000981850723 751198318 /nfs/dbraw/zinc/19/83/18/751198318.db2.gz RGBWUSZNFMZIHX-HNNXBMFYSA-N 1 2 345.378 0.413 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1CC[C@@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001059833489 751198476 /nfs/dbraw/zinc/19/84/76/751198476.db2.gz UZUPIJQTOBRGRW-UONOGXRCSA-N 1 2 334.420 0.898 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC[N@@H+]([C@H](C)C(=O)NC3CC3)CC2)c1 ZINC000981925839 751280010 /nfs/dbraw/zinc/28/00/10/751280010.db2.gz MLYUIRSDRDBVCK-CQSZACIVSA-N 1 2 340.427 0.878 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC[N@H+]([C@H](C)C(=O)NC3CC3)CC2)c1 ZINC000981925839 751280015 /nfs/dbraw/zinc/28/00/15/751280015.db2.gz MLYUIRSDRDBVCK-CQSZACIVSA-N 1 2 340.427 0.878 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)[C@H]1C ZINC001088603166 752303569 /nfs/dbraw/zinc/30/35/69/752303569.db2.gz BQYJWDFNHOVPGL-WOPDTQHZSA-N 1 2 344.253 0.952 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)[C@H]1C ZINC001088603166 752303578 /nfs/dbraw/zinc/30/35/78/752303578.db2.gz BQYJWDFNHOVPGL-WOPDTQHZSA-N 1 2 344.253 0.952 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cnnn2C)C1 ZINC001007359138 752326484 /nfs/dbraw/zinc/32/64/84/752326484.db2.gz AEDSBZFLNNRYPV-IMJJTQAJSA-N 1 2 333.436 0.877 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cnnn2C)C1 ZINC001007359138 752326493 /nfs/dbraw/zinc/32/64/93/752326493.db2.gz AEDSBZFLNNRYPV-IMJJTQAJSA-N 1 2 333.436 0.877 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001007448775 752393537 /nfs/dbraw/zinc/39/35/37/752393537.db2.gz SANRZQZZBJXECH-ZIAGYGMSSA-N 1 2 343.855 0.814 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001007448775 752393545 /nfs/dbraw/zinc/39/35/45/752393545.db2.gz SANRZQZZBJXECH-ZIAGYGMSSA-N 1 2 343.855 0.814 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)C(C)C)[C@H](OC)C1 ZINC001212004706 752396613 /nfs/dbraw/zinc/39/66/13/752396613.db2.gz LLQLFIAUWOVAEL-RBSFLKMASA-N 1 2 325.453 0.786 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H](C)C(C)C)[C@H](OC)C1 ZINC001212004706 752396620 /nfs/dbraw/zinc/39/66/20/752396620.db2.gz LLQLFIAUWOVAEL-RBSFLKMASA-N 1 2 325.453 0.786 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001212033097 752422233 /nfs/dbraw/zinc/42/22/33/752422233.db2.gz CVWRGICHTYOVPB-QLFBSQMISA-N 1 2 339.436 0.014 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1OC ZINC001212033097 752422238 /nfs/dbraw/zinc/42/22/38/752422238.db2.gz CVWRGICHTYOVPB-QLFBSQMISA-N 1 2 339.436 0.014 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)n2)C[C@H]1OC ZINC001212030105 752428295 /nfs/dbraw/zinc/42/82/95/752428295.db2.gz SUTICELBCYSUNF-HUUCEWRRSA-N 1 2 335.404 0.608 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)n2)C[C@H]1OC ZINC001212030105 752428301 /nfs/dbraw/zinc/42/83/01/752428301.db2.gz SUTICELBCYSUNF-HUUCEWRRSA-N 1 2 335.404 0.608 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H](C)[C@H]3CCCO3)C2)nn1 ZINC001105368050 752467243 /nfs/dbraw/zinc/46/72/43/752467243.db2.gz NWCFQVSWFPFXSC-WMLDXEAASA-N 1 2 345.447 0.980 20 30 ECEDLO C#CCNC(=O)CC(=O)N(C)CCN(C)c1nc(C)[nH+]c(C)c1C ZINC001105368201 752468041 /nfs/dbraw/zinc/46/80/41/752468041.db2.gz FBBGAIHMHVIHBQ-UHFFFAOYSA-N 1 2 331.420 0.436 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCN1C(=O)C#CC1CC1 ZINC000988726111 752623531 /nfs/dbraw/zinc/62/35/31/752623531.db2.gz QPTCCXMMPFYUBJ-BMFZPTHFSA-N 1 2 340.427 0.965 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cccc(F)c2)[C@H](OC)C1 ZINC001211784203 752728151 /nfs/dbraw/zinc/72/81/51/752728151.db2.gz QPAGGXRVTBASAB-APHBMKBZSA-N 1 2 347.390 0.393 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccc(F)c2)[C@H](OC)C1 ZINC001211784203 752728155 /nfs/dbraw/zinc/72/81/55/752728155.db2.gz QPAGGXRVTBASAB-APHBMKBZSA-N 1 2 347.390 0.393 20 30 ECEDLO C#CCOCCC(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000179302557 752730930 /nfs/dbraw/zinc/73/09/30/752730930.db2.gz HPGDEEQCFXQQGM-UHFFFAOYSA-N 1 2 329.400 0.470 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001007670729 752754645 /nfs/dbraw/zinc/75/46/45/752754645.db2.gz DDONAZCFZJMXEW-SFHVURJKSA-N 1 2 346.431 0.925 20 30 ECEDLO CCn1ncc(C[N@@H+]2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001028489286 752825459 /nfs/dbraw/zinc/82/54/59/752825459.db2.gz YRDVFMBROYTKTJ-LBPRGKRZSA-N 1 2 327.392 0.750 20 30 ECEDLO CCn1ncc(C[N@H+]2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001028489286 752825468 /nfs/dbraw/zinc/82/54/68/752825468.db2.gz YRDVFMBROYTKTJ-LBPRGKRZSA-N 1 2 327.392 0.750 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@]2(C1)CN(C(=O)CCn1cc[nH+]c1)CCO2 ZINC001007716991 752853861 /nfs/dbraw/zinc/85/38/61/752853861.db2.gz KFADGZSOPDXZPI-RHSMWYFYSA-N 1 2 345.403 0.263 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1nc(-c2ccncn2)no1 ZINC001126378804 753073163 /nfs/dbraw/zinc/07/31/63/753073163.db2.gz SRIJSFLLUHPCJR-HNNXBMFYSA-N 1 2 332.364 0.060 20 30 ECEDLO CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001008079006 753283608 /nfs/dbraw/zinc/28/36/08/753283608.db2.gz YVKGVVMFWZEZJK-CQSZACIVSA-N 1 2 340.387 0.819 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccsc2)[C@H](OC)C1 ZINC001211822633 753384101 /nfs/dbraw/zinc/38/41/01/753384101.db2.gz JFZXSWIPTRCYEF-IACUBPJLSA-N 1 2 335.429 0.315 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccsc2)[C@H](OC)C1 ZINC001211822633 753384103 /nfs/dbraw/zinc/38/41/03/753384103.db2.gz JFZXSWIPTRCYEF-IACUBPJLSA-N 1 2 335.429 0.315 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C=C3CCCCC3)[C@@H](O)C2)C1=O ZINC001083361915 753680411 /nfs/dbraw/zinc/68/04/11/753680411.db2.gz LKWLLGPLRCBBQM-IKGGRYGDSA-N 1 2 347.459 0.825 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C=C3CCCCC3)[C@@H](O)C2)C1=O ZINC001083361915 753680416 /nfs/dbraw/zinc/68/04/16/753680416.db2.gz LKWLLGPLRCBBQM-IKGGRYGDSA-N 1 2 347.459 0.825 20 30 ECEDLO C=CCOCC(=O)NCC[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001059971917 753730231 /nfs/dbraw/zinc/73/02/31/753730231.db2.gz GSDXLHSVYPFATQ-AWEZNQCLSA-N 1 2 334.420 0.520 20 30 ECEDLO CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001105493654 753738822 /nfs/dbraw/zinc/73/88/22/753738822.db2.gz NGNMYAFCPLOHTL-CYBMUJFWSA-N 1 2 339.403 0.702 20 30 ECEDLO C#CCNC(=O)CC(=O)N1CC[C@@H](CCNc2cc[nH+]c(C)n2)C1 ZINC001111604857 753852772 /nfs/dbraw/zinc/85/27/72/753852772.db2.gz HSVPTYWNOOFLFL-CQSZACIVSA-N 1 2 329.404 0.575 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N(C)CCN(C)c1cncc(C#N)n1 ZINC001105602072 754026775 /nfs/dbraw/zinc/02/67/75/754026775.db2.gz GEPSDKRREUENCI-UHFFFAOYSA-N 1 2 340.387 0.889 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+](CC(=O)N(C)C3CC3)CC2)cn1 ZINC000989512628 754062945 /nfs/dbraw/zinc/06/29/45/754062945.db2.gz PRGMKVUBQHXEIX-UHFFFAOYSA-N 1 2 340.427 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@H+](CC(=O)N(C)C3CC3)CC2)cn1 ZINC000989512628 754062950 /nfs/dbraw/zinc/06/29/50/754062950.db2.gz PRGMKVUBQHXEIX-UHFFFAOYSA-N 1 2 340.427 0.832 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3nnc(CC)o3)C[C@H]2C)nn1 ZINC000989536026 754078913 /nfs/dbraw/zinc/07/89/13/754078913.db2.gz HOCUUSLJMXPVOV-NEPJUHHUSA-N 1 2 345.407 0.802 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cnc(C)nc3)C2)nn1 ZINC001008794547 754125816 /nfs/dbraw/zinc/12/58/16/754125816.db2.gz NMBZZOGNQWGJTN-HNNXBMFYSA-N 1 2 341.419 0.957 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cnc(C)nc3)C2)nn1 ZINC001008794547 754125820 /nfs/dbraw/zinc/12/58/20/754125820.db2.gz NMBZZOGNQWGJTN-HNNXBMFYSA-N 1 2 341.419 0.957 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CCC[N@@H+]([C@@H]3CCN(C)C3=O)C2)nn1 ZINC001008827275 754166899 /nfs/dbraw/zinc/16/68/99/754166899.db2.gz XPPQLXWUKHBCLR-DZGCQCFKSA-N 1 2 346.435 0.279 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCN(C)C3=O)C2)nn1 ZINC001008827275 754166903 /nfs/dbraw/zinc/16/69/03/754166903.db2.gz XPPQLXWUKHBCLR-DZGCQCFKSA-N 1 2 346.435 0.279 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3ccc(C)o3)C2)nn1 ZINC001105377004 754451272 /nfs/dbraw/zinc/45/12/72/754451272.db2.gz OBCQDHOZJHMVPK-UHFFFAOYSA-N 1 2 327.388 0.918 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001009096474 754535889 /nfs/dbraw/zinc/53/58/89/754535889.db2.gz NEBLUHZHJZDBHT-NSHDSACASA-N 1 2 328.800 0.261 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001009096474 754535894 /nfs/dbraw/zinc/53/58/94/754535894.db2.gz NEBLUHZHJZDBHT-NSHDSACASA-N 1 2 328.800 0.261 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001009122206 754553851 /nfs/dbraw/zinc/55/38/51/754553851.db2.gz DBKPJIFERWCNSK-AWEZNQCLSA-N 1 2 346.431 0.929 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC001009122206 754553856 /nfs/dbraw/zinc/55/38/56/754553856.db2.gz DBKPJIFERWCNSK-AWEZNQCLSA-N 1 2 346.431 0.929 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NC3CC3)C2)cn1 ZINC001009278076 754736858 /nfs/dbraw/zinc/73/68/58/754736858.db2.gz SNIMWVKNBVSZSO-MRXNPFEDSA-N 1 2 326.400 0.536 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC3CC3)C2)cn1 ZINC001009278076 754736861 /nfs/dbraw/zinc/73/68/61/754736861.db2.gz SNIMWVKNBVSZSO-MRXNPFEDSA-N 1 2 326.400 0.536 20 30 ECEDLO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1)c1csnn1 ZINC001051554391 762328924 /nfs/dbraw/zinc/32/89/24/762328924.db2.gz DMHGXAKSFQMFSN-ZYHUDNBSSA-N 1 2 346.416 0.930 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)[nH]1 ZINC000983186998 754817298 /nfs/dbraw/zinc/81/72/98/754817298.db2.gz WYCMNWFHRLKGHG-NSHDSACASA-N 1 2 326.360 0.430 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC000983187491 754817942 /nfs/dbraw/zinc/81/79/42/754817942.db2.gz ZKYBLICWNXJIHN-CQSZACIVSA-N 1 2 337.383 0.607 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@@H+](Cc3cn(CC)nn3)C2)c1 ZINC001028793480 755143189 /nfs/dbraw/zinc/14/31/89/755143189.db2.gz XRENNLMMEPTVRL-HNNXBMFYSA-N 1 2 338.415 0.926 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@H+](Cc3cn(CC)nn3)C2)c1 ZINC001028793480 755143192 /nfs/dbraw/zinc/14/31/92/755143192.db2.gz XRENNLMMEPTVRL-HNNXBMFYSA-N 1 2 338.415 0.926 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+]([C@@H](C)c3nncn3C)C2)nn1 ZINC001028852509 755311597 /nfs/dbraw/zinc/31/15/97/755311597.db2.gz KCRYYFGMVOZDIP-QWHCGFSZSA-N 1 2 344.423 0.406 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+]([C@@H](C)c3nncn3C)C2)nn1 ZINC001028852509 755311602 /nfs/dbraw/zinc/31/16/02/755311602.db2.gz KCRYYFGMVOZDIP-QWHCGFSZSA-N 1 2 344.423 0.406 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3cn(C)nn3)C2)nn1 ZINC001028857455 755322417 /nfs/dbraw/zinc/32/24/17/755322417.db2.gz IINCVLIFARTLCY-ZDUSSCGKSA-N 1 2 344.423 0.235 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3cn(C)nn3)C2)nn1 ZINC001028857455 755322420 /nfs/dbraw/zinc/32/24/20/755322420.db2.gz IINCVLIFARTLCY-ZDUSSCGKSA-N 1 2 344.423 0.235 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ocnc2C)C[C@@H]1O ZINC001083470897 755328479 /nfs/dbraw/zinc/32/84/79/755328479.db2.gz UGVUJKYPVLOHOJ-KBXIAJHMSA-N 1 2 335.404 0.626 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@@H]1O ZINC001083470897 755328482 /nfs/dbraw/zinc/32/84/82/755328482.db2.gz UGVUJKYPVLOHOJ-KBXIAJHMSA-N 1 2 335.404 0.626 20 30 ECEDLO COc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3nc[nH]n3)C2)cc1C#N ZINC001028875669 755359544 /nfs/dbraw/zinc/35/95/44/755359544.db2.gz LGHLRKVKKAYTLV-ZDUSSCGKSA-N 1 2 340.387 0.937 20 30 ECEDLO COc1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3nc[nH]n3)C2)cc1C#N ZINC001028875669 755359551 /nfs/dbraw/zinc/35/95/51/755359551.db2.gz LGHLRKVKKAYTLV-ZDUSSCGKSA-N 1 2 340.387 0.937 20 30 ECEDLO N#Cc1sc(NC[C@@H](O)CNC(=O)Cn2cc[nH+]c2)nc1Cl ZINC001105882572 762389073 /nfs/dbraw/zinc/38/90/73/762389073.db2.gz IHZLQDOAXPRCNI-QMMMGPOBSA-N 1 2 340.796 0.454 20 30 ECEDLO Cc1cc(NC[C@@H](O)CNC(=O)CCCn2cc[nH+]c2)c(C#N)cn1 ZINC001105884764 762397113 /nfs/dbraw/zinc/39/71/13/762397113.db2.gz PRYHJASNNHYAKF-OAHLLOKOSA-N 1 2 342.403 0.250 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)c1 ZINC000990704391 755654552 /nfs/dbraw/zinc/65/45/52/755654552.db2.gz SPOYKHNBIZXBJB-LBPRGKRZSA-N 1 2 338.371 0.286 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@H]3COC(=O)C3)C2)nn1 ZINC001098657238 755706476 /nfs/dbraw/zinc/70/64/76/755706476.db2.gz UFPXUWDJYGSYOH-UKRRQHHQSA-N 1 2 345.403 0.118 20 30 ECEDLO C[C@H]1C[C@H](CNC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001010275606 755924168 /nfs/dbraw/zinc/92/41/68/755924168.db2.gz KSPLBUFPJIGERR-WCQYABFASA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H]1C[C@H](CNC(=O)c2ccc(C#N)[nH]2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001010327079 756004258 /nfs/dbraw/zinc/00/42/58/756004258.db2.gz GNSZELPWPWKNJO-VXGBXAGGSA-N 1 2 340.387 0.819 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC001076196655 756202988 /nfs/dbraw/zinc/20/29/88/756202988.db2.gz NAFOKCNPUBLKBQ-HBNTYKKESA-N 1 2 343.225 0.109 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC001076196655 756202990 /nfs/dbraw/zinc/20/29/90/756202990.db2.gz NAFOKCNPUBLKBQ-HBNTYKKESA-N 1 2 343.225 0.109 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001076478223 756565363 /nfs/dbraw/zinc/56/53/63/756565363.db2.gz SBDJIYYQNHQVRF-SDDRHHMPSA-N 1 2 342.237 0.706 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001076478223 756565368 /nfs/dbraw/zinc/56/53/68/756565368.db2.gz SBDJIYYQNHQVRF-SDDRHHMPSA-N 1 2 342.237 0.706 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)c(F)c1 ZINC001010831795 756579130 /nfs/dbraw/zinc/57/91/30/756579130.db2.gz APZJXRWPIBZUEE-JSGCOSHPSA-N 1 2 332.335 0.496 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)c(F)c1 ZINC001010831795 756579132 /nfs/dbraw/zinc/57/91/32/756579132.db2.gz APZJXRWPIBZUEE-JSGCOSHPSA-N 1 2 332.335 0.496 20 30 ECEDLO C#CCOCCC(=O)NCC[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001076505171 756588991 /nfs/dbraw/zinc/58/89/91/756588991.db2.gz KFRSMPOVGSFUSI-AWEZNQCLSA-N 1 2 334.420 0.404 20 30 ECEDLO Cn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)nn1 ZINC001010853346 756602270 /nfs/dbraw/zinc/60/22/70/756602270.db2.gz QMCOIERTNMDWPA-CYBMUJFWSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)nn1 ZINC001010853346 756602272 /nfs/dbraw/zinc/60/22/72/756602272.db2.gz QMCOIERTNMDWPA-CYBMUJFWSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1cnc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)n1 ZINC001010873002 756624729 /nfs/dbraw/zinc/62/47/29/756624729.db2.gz AZRRWVFSWIPKKO-ZDUSSCGKSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)n1 ZINC001010873002 756624731 /nfs/dbraw/zinc/62/47/31/756624731.db2.gz AZRRWVFSWIPKKO-ZDUSSCGKSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001011018775 756772079 /nfs/dbraw/zinc/77/20/79/756772079.db2.gz QUMIBPRYGSVDET-UHFFFAOYSA-N 1 2 326.360 0.147 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001076712256 756903113 /nfs/dbraw/zinc/90/31/13/756903113.db2.gz WGLIKYNYLBOCNM-KGLIPLIRSA-N 1 2 334.420 0.639 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001076712256 756903119 /nfs/dbraw/zinc/90/31/19/756903119.db2.gz WGLIKYNYLBOCNM-KGLIPLIRSA-N 1 2 334.420 0.639 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc[nH]2)C1 ZINC001076736420 756940929 /nfs/dbraw/zinc/94/09/29/756940929.db2.gz SIRIVODPFMTXIA-HZPDHXFCSA-N 1 2 340.383 0.870 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc[nH]2)C1 ZINC001076736420 756940934 /nfs/dbraw/zinc/94/09/34/756940934.db2.gz SIRIVODPFMTXIA-HZPDHXFCSA-N 1 2 340.383 0.870 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCCO3)C2)s1 ZINC001076759693 757025958 /nfs/dbraw/zinc/02/59/58/757025958.db2.gz ZDXPGQKNEBKREL-NILFDRSVSA-N 1 2 335.429 0.850 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCCO3)C2)s1 ZINC001076759693 757025960 /nfs/dbraw/zinc/02/59/60/757025960.db2.gz ZDXPGQKNEBKREL-NILFDRSVSA-N 1 2 335.429 0.850 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1c1ccc(C#N)nn1 ZINC001048797728 757030569 /nfs/dbraw/zinc/03/05/69/757030569.db2.gz RFHFXEQLTFOXQS-QWHCGFSZSA-N 1 2 325.376 0.788 20 30 ECEDLO C[N@@H+]1CCc2ncnc(NC/C=C\CNC(=O)C#CC3CC3)c2C1 ZINC001107158020 757149636 /nfs/dbraw/zinc/14/96/36/757149636.db2.gz GZUSERWNUKOSLN-IHWYPQMZSA-N 1 2 325.416 0.962 20 30 ECEDLO C[N@H+]1CCc2ncnc(NC/C=C\CNC(=O)C#CC3CC3)c2C1 ZINC001107158020 757149643 /nfs/dbraw/zinc/14/96/43/757149643.db2.gz GZUSERWNUKOSLN-IHWYPQMZSA-N 1 2 325.416 0.962 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)nn1 ZINC001011195220 757172795 /nfs/dbraw/zinc/17/27/95/757172795.db2.gz UIVWAIATINKZSD-UHFFFAOYSA-N 1 2 343.391 0.104 20 30 ECEDLO CC(C)C#CC(=O)NCc1cn(C2C[NH+](C[C@@H]3CC[C@H](C)O3)C2)nn1 ZINC001107169759 757207938 /nfs/dbraw/zinc/20/79/38/757207938.db2.gz ROTZVPUVLRYQEU-YOEHRIQHSA-N 1 2 345.447 0.978 20 30 ECEDLO C#CCOCCC(=O)NCc1cn(C2C[NH+](CCOC(C)C)C2)nn1 ZINC001107169802 757208413 /nfs/dbraw/zinc/20/84/13/757208413.db2.gz UHBKGZXYCKIZLZ-UHFFFAOYSA-N 1 2 349.435 0.216 20 30 ECEDLO C=CC(C)(C)CC(=O)N(C)[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1O ZINC001048907046 757359119 /nfs/dbraw/zinc/35/91/19/757359119.db2.gz DGJJCURDOMDSLY-GJZGRUSLSA-N 1 2 348.447 0.975 20 30 ECEDLO C=CC(C)(C)CC(=O)N(C)[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1O ZINC001048907046 757359136 /nfs/dbraw/zinc/35/91/36/757359136.db2.gz DGJJCURDOMDSLY-GJZGRUSLSA-N 1 2 348.447 0.975 20 30 ECEDLO C=CC(C)(C)CC(=O)N(C)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC001048913305 757384377 /nfs/dbraw/zinc/38/43/77/757384377.db2.gz YBYYCJJULULQMF-STQMWFEESA-N 1 2 334.420 0.585 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCc3nccn3C)nn2)C1 ZINC001107186814 757387448 /nfs/dbraw/zinc/38/74/48/757387448.db2.gz CLQFXEINPDYDJZ-UHFFFAOYSA-N 1 2 341.419 0.141 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](OC)[C@H](C)CC)nn2)C1 ZINC001107183851 757394295 /nfs/dbraw/zinc/39/42/95/757394295.db2.gz WEMMUCZBXMMPFE-CZUORRHYSA-N 1 2 333.436 0.835 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCc3nc(C)no3)nn2)C1 ZINC001107191152 757442675 /nfs/dbraw/zinc/44/26/75/757442675.db2.gz NUNIAPAFDHMROI-UHFFFAOYSA-N 1 2 343.391 0.099 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001011319970 757505678 /nfs/dbraw/zinc/50/56/78/757505678.db2.gz STDFHNPQEWKFJP-KQTLUZQSSA-N 1 2 344.415 0.775 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001011319970 757505680 /nfs/dbraw/zinc/50/56/80/757505680.db2.gz STDFHNPQEWKFJP-KQTLUZQSSA-N 1 2 344.415 0.775 20 30 ECEDLO Cc1ncsc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001076907434 757563534 /nfs/dbraw/zinc/56/35/34/757563534.db2.gz OUHOIWISIFZKBZ-CHWSQXEVSA-N 1 2 331.401 0.626 20 30 ECEDLO Cc1ncsc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001076907434 757563545 /nfs/dbraw/zinc/56/35/45/757563545.db2.gz OUHOIWISIFZKBZ-CHWSQXEVSA-N 1 2 331.401 0.626 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001021589111 757650574 /nfs/dbraw/zinc/65/05/74/757650574.db2.gz NWLAABPPUWMADD-DOTOQJQBSA-N 1 2 340.427 0.825 20 30 ECEDLO C#CCN1CC(n2cc(CNC(=O)C[C@H](C)n3cc[nH+]c3)nn2)C1 ZINC001107216015 757796431 /nfs/dbraw/zinc/79/64/31/757796431.db2.gz SPFYEHJUWFMTCV-ZDUSSCGKSA-N 1 2 327.392 0.232 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)COC[C@@H]3CCOC3)nn2)C1 ZINC001107216002 757797053 /nfs/dbraw/zinc/79/70/53/757797053.db2.gz SCYADQKSJZHFOB-CQSZACIVSA-N 1 2 349.435 0.380 20 30 ECEDLO C[C@H](CC(=O)NCc1cn(C2CN(CC#N)C2)nn1)n1cc[nH+]c1 ZINC001107216229 757798082 /nfs/dbraw/zinc/79/80/82/757798082.db2.gz YXWNNUKICSAOGH-GFCCVEGCSA-N 1 2 328.380 0.122 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](OC)C3CCCC3)nn2)C1 ZINC001107233572 757976613 /nfs/dbraw/zinc/97/66/13/757976613.db2.gz MSTHVVPFGAZHGN-QGZVFWFLSA-N 1 2 345.447 0.980 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)OCCOCC)nn2)C1 ZINC001107238618 758032888 /nfs/dbraw/zinc/03/28/88/758032888.db2.gz HGGXGEKSCMFPGQ-CQSZACIVSA-N 1 2 349.435 0.216 20 30 ECEDLO CCc1nc(C#N)cc(NC/C=C\CNC(=O)Cn2cc[nH+]c2)n1 ZINC001107241292 758044879 /nfs/dbraw/zinc/04/48/79/758044879.db2.gz ZNKCFLUIDMBJNU-ARJAWSKDSA-N 1 2 325.376 0.892 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001049153016 758144350 /nfs/dbraw/zinc/14/43/50/758144350.db2.gz QNOMEGLZJGTUNG-RCBQFDQVSA-N 1 2 348.447 0.893 20 30 ECEDLO C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1O ZINC001049175800 758227150 /nfs/dbraw/zinc/22/71/50/758227150.db2.gz BEFHPZUPLKIXMH-KBPBESRZSA-N 1 2 348.447 0.595 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4nncn4C)C[C@@H]3C2)nc1 ZINC001049177764 758231647 /nfs/dbraw/zinc/23/16/47/758231647.db2.gz MXITTXNSRNYXER-GASCZTMLSA-N 1 2 336.399 0.395 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4nncn4C)C[C@@H]3C2)nc1 ZINC001049177764 758231651 /nfs/dbraw/zinc/23/16/51/758231651.db2.gz MXITTXNSRNYXER-GASCZTMLSA-N 1 2 336.399 0.395 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ncccc1O ZINC001077123924 758251399 /nfs/dbraw/zinc/25/13/99/758251399.db2.gz GKFKUUKPXUVXRK-KBPBESRZSA-N 1 2 344.415 0.509 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1ncccc1O ZINC001077123924 758251408 /nfs/dbraw/zinc/25/14/08/758251408.db2.gz GKFKUUKPXUVXRK-KBPBESRZSA-N 1 2 344.415 0.509 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001077125560 758292862 /nfs/dbraw/zinc/29/28/62/758292862.db2.gz XGPYXDPEPSYYFX-HOCLYGCPSA-N 1 2 345.447 0.300 20 30 ECEDLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077162397 758369060 /nfs/dbraw/zinc/36/90/60/758369060.db2.gz SZFKNTCMLFAGLH-HPBDAGMYSA-N 1 2 344.411 0.003 20 30 ECEDLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077162397 758369071 /nfs/dbraw/zinc/36/90/71/758369071.db2.gz SZFKNTCMLFAGLH-HPBDAGMYSA-N 1 2 344.411 0.003 20 30 ECEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)c3cc[nH]n3)CC2)C1 ZINC001105690665 758380869 /nfs/dbraw/zinc/38/08/69/758380869.db2.gz VUJUVFBWCPERGR-UHFFFAOYSA-N 1 2 334.420 0.918 20 30 ECEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)c3ccn[nH]3)CC2)C1 ZINC001105690665 758380872 /nfs/dbraw/zinc/38/08/72/758380872.db2.gz VUJUVFBWCPERGR-UHFFFAOYSA-N 1 2 334.420 0.918 20 30 ECEDLO N#Cc1nccnc1NC/C=C\CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001107390287 758417950 /nfs/dbraw/zinc/41/79/50/758417950.db2.gz UEDYUTBTFBNKAS-FYDYADQUSA-N 1 2 337.387 0.892 20 30 ECEDLO C=C[C@H](CC)CC(=O)N(C)[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1O ZINC001049275741 758466803 /nfs/dbraw/zinc/46/68/03/758466803.db2.gz MLPSRGKSOKPVTP-KBMXLJTQSA-N 1 2 348.447 0.893 20 30 ECEDLO C=C[C@H](CC)CC(=O)N(C)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC001049277057 758468875 /nfs/dbraw/zinc/46/88/75/758468875.db2.gz ZOIPMMYMSXAWHL-RDBSUJKOSA-N 1 2 334.420 0.585 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C)nn1 ZINC001011772723 758540607 /nfs/dbraw/zinc/54/06/07/758540607.db2.gz QVSYUBWOSYBEPR-AAEUAGOBSA-N 1 2 343.391 0.149 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001014423316 762654493 /nfs/dbraw/zinc/65/44/93/762654493.db2.gz GFZGHBYPIKMDGU-RYUDHWBXSA-N 1 2 337.811 0.706 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001014423316 762654500 /nfs/dbraw/zinc/65/45/00/762654500.db2.gz GFZGHBYPIKMDGU-RYUDHWBXSA-N 1 2 337.811 0.706 20 30 ECEDLO C=CCC1(C(=O)N(C)[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2O)CCC1 ZINC001049453583 758731648 /nfs/dbraw/zinc/73/16/48/758731648.db2.gz IAVRGFVEXGJKGB-KBPBESRZSA-N 1 2 346.431 0.729 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2C[C@@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)[C@@H]3C2)c1 ZINC001022520911 758830138 /nfs/dbraw/zinc/83/01/38/758830138.db2.gz GEORFGIQNDRCNU-GXTWGEPZSA-N 1 2 338.371 0.525 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1 ZINC001077410067 759004022 /nfs/dbraw/zinc/00/40/22/759004022.db2.gz YDHAXQKOPWLCDW-MKXGPGLRSA-N 1 2 342.439 0.961 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1 ZINC001077410067 759004029 /nfs/dbraw/zinc/00/40/29/759004029.db2.gz YDHAXQKOPWLCDW-MKXGPGLRSA-N 1 2 342.439 0.961 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(N)=O ZINC001049692129 759106172 /nfs/dbraw/zinc/10/61/72/759106172.db2.gz QAZRDWQYFPNHOF-HUUCEWRRSA-N 1 2 330.363 0.748 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(N)=O ZINC001049692129 759106179 /nfs/dbraw/zinc/10/61/79/759106179.db2.gz QAZRDWQYFPNHOF-HUUCEWRRSA-N 1 2 330.363 0.748 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cnn(C)n1 ZINC001049733023 759144752 /nfs/dbraw/zinc/14/47/52/759144752.db2.gz URIRCNXTVDVWDI-NCOADZHNSA-N 1 2 345.447 0.972 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cnn(C)n1 ZINC001049733023 759144758 /nfs/dbraw/zinc/14/47/58/759144758.db2.gz URIRCNXTVDVWDI-NCOADZHNSA-N 1 2 345.447 0.972 20 30 ECEDLO C#CCOCCC(=O)N(C)C1CC(Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001127009386 759269616 /nfs/dbraw/zinc/26/96/16/759269616.db2.gz BXMNFJLKGOGWMH-UHFFFAOYSA-N 1 2 346.435 0.687 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(C)nn(C)c3n2)C1 ZINC001047640074 759382182 /nfs/dbraw/zinc/38/21/82/759382182.db2.gz ICIUFILPDHYSDK-GJZGRUSLSA-N 1 2 327.388 0.027 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(C)nn(C)c3n2)C1 ZINC001047640074 759382194 /nfs/dbraw/zinc/38/21/94/759382194.db2.gz ICIUFILPDHYSDK-GJZGRUSLSA-N 1 2 327.388 0.027 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C)cn1 ZINC001012099209 759403661 /nfs/dbraw/zinc/40/36/61/759403661.db2.gz CZKYXCJYUHCIQH-MLGOLLRUSA-N 1 2 337.383 0.748 20 30 ECEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(=O)c3ccccc3[nH]2)[C@@H](O)C1 ZINC001083616791 759421654 /nfs/dbraw/zinc/42/16/54/759421654.db2.gz FYSWQZBPQNHWKY-WBVHZDCISA-N 1 2 327.384 0.879 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(=O)c3ccccc3[nH]2)[C@@H](O)C1 ZINC001083616791 759421660 /nfs/dbraw/zinc/42/16/60/759421660.db2.gz FYSWQZBPQNHWKY-WBVHZDCISA-N 1 2 327.384 0.879 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001012131874 759437974 /nfs/dbraw/zinc/43/79/74/759437974.db2.gz VLANMZCJHANKLE-ZBFHGGJFSA-N 1 2 348.447 0.460 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001012131874 759437979 /nfs/dbraw/zinc/43/79/79/759437979.db2.gz VLANMZCJHANKLE-ZBFHGGJFSA-N 1 2 348.447 0.460 20 30 ECEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cncc(C(N)=O)c2)C1 ZINC001032192787 759468118 /nfs/dbraw/zinc/46/81/18/759468118.db2.gz VMSGMQDHJLUSNV-UHFFFAOYSA-N 1 2 349.394 0.914 20 30 ECEDLO CC(C)C#CC(=O)N1CCC(OC2C[NH+](CCOCCO)C2)CC1 ZINC001105707037 759560191 /nfs/dbraw/zinc/56/01/91/759560191.db2.gz KCAIIOKDQJBBGW-UHFFFAOYSA-N 1 2 338.448 0.347 20 30 ECEDLO CCN1CCO[C@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001032201782 759581888 /nfs/dbraw/zinc/58/18/88/759581888.db2.gz JYSDCGGVTBFSIU-SFHVURJKSA-N 1 2 342.443 0.827 20 30 ECEDLO C[C@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001050104640 759711950 /nfs/dbraw/zinc/71/19/50/759711950.db2.gz RPHWNDSISZPQRY-QWHCGFSZSA-N 1 2 335.433 0.493 20 30 ECEDLO N#Cc1cc(C(=O)N2CC(NC(=O)c3cccc4[nH+]ccn43)C2)c[nH]1 ZINC000995533207 759734755 /nfs/dbraw/zinc/73/47/55/759734755.db2.gz BTHOKERCEBNSCW-UHFFFAOYSA-N 1 2 334.339 0.788 20 30 ECEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2C1 ZINC001054273104 767887153 /nfs/dbraw/zinc/88/71/53/767887153.db2.gz UMKJXTZDKANBCN-OAHLLOKOSA-N 1 2 332.425 0.686 20 30 ECEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCS(=O)(=O)C3)cc2C1 ZINC001054273104 767887156 /nfs/dbraw/zinc/88/71/56/767887156.db2.gz UMKJXTZDKANBCN-OAHLLOKOSA-N 1 2 332.425 0.686 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001050130792 759770699 /nfs/dbraw/zinc/77/06/99/759770699.db2.gz HHMGZFJGDSCUIH-SWLSCSKDSA-N 1 2 330.363 0.605 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001050130792 759770704 /nfs/dbraw/zinc/77/07/04/759770704.db2.gz HHMGZFJGDSCUIH-SWLSCSKDSA-N 1 2 330.363 0.605 20 30 ECEDLO CN(C[C@@H](O)CN(C)c1ccncc1C#N)C(=O)Cc1[nH]cc[nH+]1 ZINC001125149592 759832423 /nfs/dbraw/zinc/83/24/23/759832423.db2.gz XOTVEKZUCMXUDA-ZDUSSCGKSA-N 1 2 328.376 0.175 20 30 ECEDLO NC(=O)c1ccc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)nc1 ZINC001032222008 759925358 /nfs/dbraw/zinc/92/53/58/759925358.db2.gz DCFOBYUVFJPAOD-UHFFFAOYSA-N 1 2 348.406 0.894 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001012444564 760012954 /nfs/dbraw/zinc/01/29/54/760012954.db2.gz CQUBWHSJIIKTOE-AAEUAGOBSA-N 1 2 340.387 0.582 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001050304836 760092826 /nfs/dbraw/zinc/09/28/26/760092826.db2.gz OWOQUJFODVQEJS-HUUCEWRRSA-N 1 2 334.420 0.829 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3ccccn3)nn2)C1 ZINC001107114241 760161013 /nfs/dbraw/zinc/16/10/13/760161013.db2.gz KQHUJYZCNMXKFN-UHFFFAOYSA-N 1 2 342.403 0.662 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[NH+](Cc1nc(N(C)C)no1)CC2 ZINC001050463284 760306865 /nfs/dbraw/zinc/30/68/65/760306865.db2.gz NEYJNIGOZFFGHT-LBPRGKRZSA-N 1 2 332.408 0.720 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)CCSC)nn2)C1 ZINC001107123118 760469858 /nfs/dbraw/zinc/46/98/58/760469858.db2.gz VRBXETLARDDKKV-UHFFFAOYSA-N 1 2 339.465 0.707 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CC[C@@H]3CCCO3)nn2)C1 ZINC001107129038 760519286 /nfs/dbraw/zinc/51/92/86/760519286.db2.gz CNKJLMHYEZPFCU-INIZCTEOSA-N 1 2 331.420 0.734 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001050735793 760755969 /nfs/dbraw/zinc/75/59/69/760755969.db2.gz NHNJTYSOTDJXRA-CVEARBPZSA-N 1 2 346.431 0.666 20 30 ECEDLO C=CCO[C@H](C)C(=O)NCC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001060235188 760806785 /nfs/dbraw/zinc/80/67/85/760806785.db2.gz KEGWGZJZNCPXNZ-KGLIPLIRSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCCOCC(=O)NCC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001060236029 760812542 /nfs/dbraw/zinc/81/25/42/760812542.db2.gz XDVQCYHLIODAPI-AWEZNQCLSA-N 1 2 334.420 0.900 20 30 ECEDLO CS(=O)(=O)CC(=O)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2C1 ZINC001048707639 760988277 /nfs/dbraw/zinc/98/82/77/760988277.db2.gz ONEWAZQNJQKPAL-CALCHBBNSA-N 1 2 346.452 0.473 20 30 ECEDLO CS(=O)(=O)CC(=O)N1C[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2C1 ZINC001048707639 760988279 /nfs/dbraw/zinc/98/82/79/760988279.db2.gz ONEWAZQNJQKPAL-CALCHBBNSA-N 1 2 346.452 0.473 20 30 ECEDLO C#CCCCCC(=O)N(C)[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC001048708547 760990895 /nfs/dbraw/zinc/99/08/95/760990895.db2.gz FFJDSOSOQKRKOL-GJZGRUSLSA-N 1 2 332.404 0.107 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](CC(=O)Nc3nccs3)C[C@@H]2C1 ZINC001048727947 761054644 /nfs/dbraw/zinc/05/46/44/761054644.db2.gz PXFIDMXQBWXWLU-UTUOFQBUSA-N 1 2 333.417 0.631 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](CC(=O)Nc3nccs3)C[C@@H]2C1 ZINC001048727947 761054648 /nfs/dbraw/zinc/05/46/48/761054648.db2.gz PXFIDMXQBWXWLU-UTUOFQBUSA-N 1 2 333.417 0.631 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001048761904 761128670 /nfs/dbraw/zinc/12/86/70/761128670.db2.gz KFRSDSWJPGFQCK-ILXRZTDVSA-N 1 2 348.447 0.975 20 30 ECEDLO C[C@H](C#N)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C2 ZINC001054486210 768011597 /nfs/dbraw/zinc/01/15/97/768011597.db2.gz KHMAGLQZJKKECT-YIYPIFLZSA-N 1 2 329.404 0.998 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn2c(n1)C[C@H](OC)CC2 ZINC001050972972 761254301 /nfs/dbraw/zinc/25/43/01/761254301.db2.gz ZKXXBFNJUPDEKU-LSDHHAIUSA-N 1 2 348.447 0.851 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn2c(n1)C[C@H](OC)CC2 ZINC001050972972 761254309 /nfs/dbraw/zinc/25/43/09/761254309.db2.gz ZKXXBFNJUPDEKU-LSDHHAIUSA-N 1 2 348.447 0.851 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCCC[C@@H]1CNc1ccnc(C#N)n1 ZINC001060259357 761262367 /nfs/dbraw/zinc/26/23/67/761262367.db2.gz FHESYNORIPNENL-CYBMUJFWSA-N 1 2 339.403 0.539 20 30 ECEDLO CC#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001050991037 761285595 /nfs/dbraw/zinc/28/55/95/761285595.db2.gz SEFPAAKPNKBZJS-LSDHHAIUSA-N 1 2 330.432 0.663 20 30 ECEDLO CC#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001050991037 761285599 /nfs/dbraw/zinc/28/55/99/761285599.db2.gz SEFPAAKPNKBZJS-LSDHHAIUSA-N 1 2 330.432 0.663 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(C(N)=O)cn1C ZINC001051003212 761315897 /nfs/dbraw/zinc/31/58/97/761315897.db2.gz LQHVNRBRXKRLTI-CQSZACIVSA-N 1 2 334.420 0.521 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(C(N)=O)cn1C ZINC001051003212 761315905 /nfs/dbraw/zinc/31/59/05/761315905.db2.gz LQHVNRBRXKRLTI-CQSZACIVSA-N 1 2 334.420 0.521 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)CCn1cc[nH+]c1 ZINC001013406580 761374024 /nfs/dbraw/zinc/37/40/24/761374024.db2.gz NKGPKCLSOKWMTP-TZMCWYRMSA-N 1 2 340.387 0.892 20 30 ECEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C3(C(=O)N(C)C)CC3)CC2)C1 ZINC001105730895 761381475 /nfs/dbraw/zinc/38/14/75/761381475.db2.gz BBBHLRYUURWSBF-UHFFFAOYSA-N 1 2 335.448 0.733 20 30 ECEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CCOCCOC)CC2)C1 ZINC001105734484 761410818 /nfs/dbraw/zinc/41/08/18/761410818.db2.gz UHGBTJVRZLBRIC-UHFFFAOYSA-N 1 2 326.437 0.917 20 30 ECEDLO C#CCCN1CCOC[C@@H]1CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001051076074 761445857 /nfs/dbraw/zinc/44/58/57/761445857.db2.gz OOHCEAAMTKBFNN-ROUUACIJSA-N 1 2 349.475 0.470 20 30 ECEDLO C#CCCN1CCOC[C@@H]1CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001051076074 761445864 /nfs/dbraw/zinc/44/58/64/761445864.db2.gz OOHCEAAMTKBFNN-ROUUACIJSA-N 1 2 349.475 0.470 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C[C@@H]1C ZINC001013494175 761486443 /nfs/dbraw/zinc/48/64/43/761486443.db2.gz ZLWSEPFWORPCDR-GWCFXTLKSA-N 1 2 340.387 0.880 20 30 ECEDLO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(C#N)c1 ZINC001017491708 768055490 /nfs/dbraw/zinc/05/54/90/768055490.db2.gz YNQROYWFWKKGHP-DFBGVHRSSA-N 1 2 329.404 0.652 20 30 ECEDLO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(C#N)c1 ZINC001017491708 768055496 /nfs/dbraw/zinc/05/54/96/768055496.db2.gz YNQROYWFWKKGHP-DFBGVHRSSA-N 1 2 329.404 0.652 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(C(=O)NC)nc1 ZINC001051211044 761696606 /nfs/dbraw/zinc/69/66/06/761696606.db2.gz UAWMXGGNLBDOGG-CQSZACIVSA-N 1 2 332.404 0.448 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(C(=O)NC)nc1 ZINC001051211044 761696612 /nfs/dbraw/zinc/69/66/12/761696612.db2.gz UAWMXGGNLBDOGG-CQSZACIVSA-N 1 2 332.404 0.448 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC001051211261 761697671 /nfs/dbraw/zinc/69/76/71/761697671.db2.gz BCOBBCFFUQCAND-CYBMUJFWSA-N 1 2 343.383 0.577 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC001051211261 761697677 /nfs/dbraw/zinc/69/76/77/761697677.db2.gz BCOBBCFFUQCAND-CYBMUJFWSA-N 1 2 343.383 0.577 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2C[C@@H](CC)OC)nc1 ZINC001051213624 761702145 /nfs/dbraw/zinc/70/21/45/761702145.db2.gz BUUNEQAMRWMRQL-HZPDHXFCSA-N 1 2 331.416 0.919 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2C[C@@H](CC)OC)nc1 ZINC001051213624 761702152 /nfs/dbraw/zinc/70/21/52/761702152.db2.gz BUUNEQAMRWMRQL-HZPDHXFCSA-N 1 2 331.416 0.919 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2C[C@H](CC)OC)cn1 ZINC001051213633 761703476 /nfs/dbraw/zinc/70/34/76/761703476.db2.gz AQBZWMAHSZSFCM-IRXDYDNUSA-N 1 2 331.416 0.919 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2C[C@H](CC)OC)cn1 ZINC001051213633 761703482 /nfs/dbraw/zinc/70/34/82/761703482.db2.gz AQBZWMAHSZSFCM-IRXDYDNUSA-N 1 2 331.416 0.919 20 30 ECEDLO C#CCCCC(=O)NC[C@H](O)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001105796361 761855065 /nfs/dbraw/zinc/85/50/65/761855065.db2.gz ONUNELSDNZPWSA-ZDUSSCGKSA-N 1 2 331.420 0.157 20 30 ECEDLO C#CCCCC(=O)NC[C@H](O)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001105796361 761855076 /nfs/dbraw/zinc/85/50/76/761855076.db2.gz ONUNELSDNZPWSA-ZDUSSCGKSA-N 1 2 331.420 0.157 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([C@H](C)NC(=O)CSCC#N)C1 ZINC001051311964 761865636 /nfs/dbraw/zinc/86/56/36/761865636.db2.gz NZQSBYVGECMFDV-AAEUAGOBSA-N 1 2 349.460 0.871 20 30 ECEDLO CN1C[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)CC1=O ZINC001014622319 762919550 /nfs/dbraw/zinc/91/95/50/762919550.db2.gz YZCZWJSSAROMFB-HOTGVXAUSA-N 1 2 326.400 0.727 20 30 ECEDLO CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CC1=O ZINC001014622319 762919552 /nfs/dbraw/zinc/91/95/52/762919552.db2.gz YZCZWJSSAROMFB-HOTGVXAUSA-N 1 2 326.400 0.727 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](O)C2)C1 ZINC000991726506 762993360 /nfs/dbraw/zinc/99/33/60/762993360.db2.gz XCQYVSONQDBWOC-OLZOCXBDSA-N 1 2 332.404 0.387 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@H](C)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106305028 768118156 /nfs/dbraw/zinc/11/81/56/768118156.db2.gz UMJZHCQGHYOKIM-BDJLRTHQSA-N 1 2 336.440 0.880 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nc(C)no3)C2)nc1 ZINC001051906276 763296802 /nfs/dbraw/zinc/29/68/02/763296802.db2.gz NLKWVZLKJDHVJH-AWEZNQCLSA-N 1 2 341.371 0.385 20 30 ECEDLO CNC(=O)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046930949 763408743 /nfs/dbraw/zinc/40/87/43/763408743.db2.gz MWTHDDOYLUWKAW-JTQLQIEISA-N 1 2 339.346 0.319 20 30 ECEDLO CNC(=O)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046930949 763408748 /nfs/dbraw/zinc/40/87/48/763408748.db2.gz MWTHDDOYLUWKAW-JTQLQIEISA-N 1 2 339.346 0.319 20 30 ECEDLO NC(=O)[C@@H]1CC[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031896721 763426463 /nfs/dbraw/zinc/42/64/63/763426463.db2.gz JEXVHAPDXNCLMV-IAGOWNOFSA-N 1 2 343.402 0.737 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc(C)cn3)C2)CC1 ZINC001051974026 763487814 /nfs/dbraw/zinc/48/78/14/763487814.db2.gz ADASUNSOUKSHSO-MRXNPFEDSA-N 1 2 327.432 0.640 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001046974358 763494500 /nfs/dbraw/zinc/49/45/00/763494500.db2.gz KTUFUPQXKFMEBW-AXFHLTTASA-N 1 2 335.782 0.934 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001046974358 763494502 /nfs/dbraw/zinc/49/45/02/763494502.db2.gz KTUFUPQXKFMEBW-AXFHLTTASA-N 1 2 335.782 0.934 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3ncc[nH]3)C2)nn1 ZINC001098756804 763528167 /nfs/dbraw/zinc/52/81/67/763528167.db2.gz DQIOIYAOZYAMDL-CQSZACIVSA-N 1 2 327.392 0.130 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(Cc3csnn3)CC2)C1 ZINC001051998024 763550294 /nfs/dbraw/zinc/55/02/94/763550294.db2.gz MRLBZATXVHVGJK-GXTWGEPZSA-N 1 2 334.449 0.416 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccc(=O)[nH]3)C2)CC1 ZINC001052003795 763565519 /nfs/dbraw/zinc/56/55/19/763565519.db2.gz BQBAQCAYKZYPQI-OAHLLOKOSA-N 1 2 328.416 0.643 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3COC(=O)C3)C2)CC1 ZINC001052012242 763583572 /nfs/dbraw/zinc/58/35/72/763583572.db2.gz GHIPSPPQMVMWCZ-HOTGVXAUSA-N 1 2 335.448 0.734 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cncnc3)C2)CC1 ZINC001052021148 763603955 /nfs/dbraw/zinc/60/39/55/763603955.db2.gz LSLMMZQASXFXQI-KRWDZBQOSA-N 1 2 327.432 0.261 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)Cc3nnc(C)o3)C2)CC1 ZINC001052022229 763607079 /nfs/dbraw/zinc/60/70/79/763607079.db2.gz KQMDAPKTGYURON-HNNXBMFYSA-N 1 2 333.436 0.715 20 30 ECEDLO CC(C)c1cc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)nn1C ZINC001052024422 763612173 /nfs/dbraw/zinc/61/21/73/763612173.db2.gz BURKFBPWXKFBDU-OAHLLOKOSA-N 1 2 344.463 0.899 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn4c(n3)CCC4)C2)CC1 ZINC001052027727 763622085 /nfs/dbraw/zinc/62/20/85/763622085.db2.gz JFRHPNZCIRBCOV-HNNXBMFYSA-N 1 2 329.448 0.847 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc(N(C)C)cn3)C2)CC1 ZINC001052027579 763622256 /nfs/dbraw/zinc/62/22/56/763622256.db2.gz HPMLCHIWNBOLGZ-OAHLLOKOSA-N 1 2 344.463 0.561 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc(N(C)C)cn3)C2)CC1 ZINC001052029120 763625057 /nfs/dbraw/zinc/62/50/57/763625057.db2.gz XLFLDLGZGGJEHT-OAHLLOKOSA-N 1 2 342.447 0.008 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnc(N(C)C)cn3)C2)CC1 ZINC001052029120 763625062 /nfs/dbraw/zinc/62/50/62/763625062.db2.gz XLFLDLGZGGJEHT-OAHLLOKOSA-N 1 2 342.447 0.008 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3nnn(C(C)(C)C)n3)C2)CC1 ZINC001052029817 763626198 /nfs/dbraw/zinc/62/61/98/763626198.db2.gz BZSFNSNYMPVXNV-CQSZACIVSA-N 1 2 347.467 0.446 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)c3ccnn3C)C2)CC1 ZINC001052030313 763628821 /nfs/dbraw/zinc/62/88/21/763628821.db2.gz LXGWLHKOKLSAGQ-SJORKVTESA-N 1 2 343.475 0.765 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3ccn(CC)n3)C2)CC1 ZINC001052031340 763631836 /nfs/dbraw/zinc/63/18/36/763631836.db2.gz KDFSGDYVSGBLHL-SFHVURJKSA-N 1 2 343.475 0.687 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccn(C(F)F)n3)C2)CC1 ZINC001052032378 763634166 /nfs/dbraw/zinc/63/41/66/763634166.db2.gz GKUWURFLQDBCFM-LBPRGKRZSA-N 1 2 338.362 0.634 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)CCc3ccncn3)C2)CC1 ZINC001052032607 763635242 /nfs/dbraw/zinc/63/52/42/763635242.db2.gz HNTYEWHWOXQPKF-SFHVURJKSA-N 1 2 341.459 0.651 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3cnn(C)c3C)C2)CC1 ZINC001052032725 763635474 /nfs/dbraw/zinc/63/54/74/763635474.db2.gz JDQHUGUIQVVBSQ-GOSISDBHSA-N 1 2 343.475 0.513 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)C3(F)CCOCC3)C2)CC1 ZINC001052036918 763652415 /nfs/dbraw/zinc/65/24/15/763652415.db2.gz YBXFWZXBHBJOPV-HNNXBMFYSA-N 1 2 325.428 0.910 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ncc(C)cc3OC)C2)CC1 ZINC001052038234 763657841 /nfs/dbraw/zinc/65/78/41/763657841.db2.gz ZMQHKRPICQQGEW-MRXNPFEDSA-N 1 2 342.443 0.864 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ncc(C)cc3OC)C2)CC1 ZINC001052038234 763657844 /nfs/dbraw/zinc/65/78/44/763657844.db2.gz ZMQHKRPICQQGEW-MRXNPFEDSA-N 1 2 342.443 0.864 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@]3(CC)CCNC3=O)C2)CC1 ZINC001052041430 763667104 /nfs/dbraw/zinc/66/71/04/763667104.db2.gz HXIZHNVUNJGFJI-VQIMIIECSA-N 1 2 348.491 0.697 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)cn1 ZINC001052041282 763667160 /nfs/dbraw/zinc/66/71/60/763667160.db2.gz XTOYFWMEHQFTDE-MRXNPFEDSA-N 1 2 344.463 0.669 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn(CCF)c3)C2)CC1 ZINC001052045959 763685607 /nfs/dbraw/zinc/68/56/07/763685607.db2.gz YTNVWSFVASTPKK-QGZVFWFLSA-N 1 2 347.438 0.708 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccnnc3C)C2)CC1 ZINC001052046723 763688321 /nfs/dbraw/zinc/68/83/21/763688321.db2.gz CVVNTAUQZKDITN-INIZCTEOSA-N 1 2 327.432 0.640 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C2)CC1 ZINC001052048176 763695157 /nfs/dbraw/zinc/69/51/57/763695157.db2.gz NFJPXBAQRNKWIM-AWEZNQCLSA-N 1 2 329.448 0.917 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn(C)c3CC)C2)CC1 ZINC001052048574 763698211 /nfs/dbraw/zinc/69/82/11/763698211.db2.gz XWAGSZNCQAWNOA-OAHLLOKOSA-N 1 2 329.448 0.448 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn(C)ccc3=O)C2)CC1 ZINC001052050476 763707101 /nfs/dbraw/zinc/70/71/01/763707101.db2.gz VLHXDFHKHHRXTJ-INIZCTEOSA-N 1 2 342.443 0.241 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(=O)c(OC)co3)C2)CC1 ZINC001052051562 763711527 /nfs/dbraw/zinc/71/15/27/763711527.db2.gz BGUJOVAKKQYMKO-CQSZACIVSA-N 1 2 345.399 0.114 20 30 ECEDLO N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)cn1 ZINC001106015413 763716483 /nfs/dbraw/zinc/71/64/83/763716483.db2.gz IVMMFIRNGJRGDH-WBMJQRKESA-N 1 2 340.387 0.301 20 30 ECEDLO N#Cc1ccc(NC[C@H](O)CNC(=O)[C@H]2CCn3cc[nH+]c3C2)nc1 ZINC001106015469 763716819 /nfs/dbraw/zinc/71/68/19/763716819.db2.gz JGLTVGXTYZHGMV-KBPBESRZSA-N 1 2 340.387 0.301 20 30 ECEDLO C=C1CCC(C(=O)N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](O)C2)CC1 ZINC000991816323 763736215 /nfs/dbraw/zinc/73/62/15/763736215.db2.gz NAQGSVPTUDZJSQ-HOTGVXAUSA-N 1 2 346.431 0.777 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(CC(=O)NC)CC2)C1 ZINC001052059131 763736197 /nfs/dbraw/zinc/73/61/97/763736197.db2.gz CENRLHNLTVJEOJ-HNNXBMFYSA-N 1 2 336.480 0.553 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccc4cn[nH]c43)C2)CC1 ZINC001052060250 763739829 /nfs/dbraw/zinc/73/98/29/763739829.db2.gz AQYFOJFGZQFFGP-OAHLLOKOSA-N 1 2 338.415 0.919 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccc4c[nH]nc43)C2)CC1 ZINC001052060250 763739832 /nfs/dbraw/zinc/73/98/32/763739832.db2.gz AQYFOJFGZQFFGP-OAHLLOKOSA-N 1 2 338.415 0.919 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC000991817628 763741497 /nfs/dbraw/zinc/74/14/97/763741497.db2.gz OWDOKBGKNVNRMI-UONOGXRCSA-N 1 2 334.420 0.633 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN([C@H]3CCN(C)C3=O)CC2)C1 ZINC001052061194 763742825 /nfs/dbraw/zinc/74/28/25/763742825.db2.gz SYNQNVVPLTXHCH-HOTGVXAUSA-N 1 2 348.491 0.648 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H](N2CC[NH+]([C@H]3CCN(C)C3=O)CC2)C1 ZINC001052061194 763742827 /nfs/dbraw/zinc/74/28/27/763742827.db2.gz SYNQNVVPLTXHCH-HOTGVXAUSA-N 1 2 348.491 0.648 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H](N2CC[NH+]([C@H]3CCCNC3=O)CC2)C1 ZINC001052062706 763747074 /nfs/dbraw/zinc/74/70/74/763747074.db2.gz MZXMKQVVSDGKAN-HOTGVXAUSA-N 1 2 348.491 0.696 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN([C@H]3CCCNC3=O)CC2)C1 ZINC001052062706 763747075 /nfs/dbraw/zinc/74/70/75/763747075.db2.gz MZXMKQVVSDGKAN-HOTGVXAUSA-N 1 2 348.491 0.696 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]([NH+]2CCN(CC(=O)NC)CC2)C1 ZINC001052078070 763788214 /nfs/dbraw/zinc/78/82/14/763788214.db2.gz ZADCSYVGDOKHIS-MAUKXSAKSA-N 1 2 336.480 0.553 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)CC1 ZINC001052083178 763804103 /nfs/dbraw/zinc/80/41/03/763804103.db2.gz 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ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3[nH]cnc3C)C2)nn1 ZINC001098775498 765029162 /nfs/dbraw/zinc/02/91/62/765029162.db2.gz ZIJQEOLVVYRWLJ-HNNXBMFYSA-N 1 2 341.419 0.439 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1CNC(=O)C#CC1CC1 ZINC001052815812 765174724 /nfs/dbraw/zinc/17/47/24/765174724.db2.gz XCFSYDAMDWJVEZ-ZFWWWQNUSA-N 1 2 328.416 0.966 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1CNC(=O)C#CC1CC1 ZINC001052815812 765174729 /nfs/dbraw/zinc/17/47/29/765174729.db2.gz XCFSYDAMDWJVEZ-ZFWWWQNUSA-N 1 2 328.416 0.966 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NC1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000992047279 765277959 /nfs/dbraw/zinc/27/79/59/765277959.db2.gz QPKHPNHBCSGMAX-UHFFFAOYSA-N 1 2 340.387 0.487 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3cnccn3)C2)nn1 ZINC001015810657 765370091 /nfs/dbraw/zinc/37/00/91/765370091.db2.gz OXRZSAKDNSHOFT-QWHCGFSZSA-N 1 2 327.392 0.819 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3cnccn3)C2)nn1 ZINC001015810657 765370104 /nfs/dbraw/zinc/37/01/04/765370104.db2.gz OXRZSAKDNSHOFT-QWHCGFSZSA-N 1 2 327.392 0.819 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(OC)nc3)C2)nn1 ZINC001015812507 765371979 /nfs/dbraw/zinc/37/19/79/765371979.db2.gz DRJIXPGNLHUICD-CQSZACIVSA-N 1 2 342.403 0.872 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(OC)nc3)C2)nn1 ZINC001015812507 765371987 /nfs/dbraw/zinc/37/19/87/765371987.db2.gz DRJIXPGNLHUICD-CQSZACIVSA-N 1 2 342.403 0.872 20 30 ECEDLO Cn1ncc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001015846177 765433904 /nfs/dbraw/zinc/43/39/04/765433904.db2.gz QVHAWGXVRQILGD-CYBMUJFWSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001015846177 765433909 /nfs/dbraw/zinc/43/39/09/765433909.db2.gz QVHAWGXVRQILGD-CYBMUJFWSA-N 1 2 328.351 0.830 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1nnc(-c2ccco2)n1 ZINC001017695574 768301813 /nfs/dbraw/zinc/30/18/13/768301813.db2.gz LQTTWKGUAQLLJY-BETUJISGSA-N 1 2 326.360 0.242 20 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ZINC001053263048 765863548 /nfs/dbraw/zinc/86/35/48/765863548.db2.gz GXGQXUIQLOUDKS-UHFFFAOYSA-N 1 2 334.424 0.531 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1nc3ncc(C)cn3n1)CCO2 ZINC001053301825 765936240 /nfs/dbraw/zinc/93/62/40/765936240.db2.gz XSQWVQMHZFGAEC-UHFFFAOYSA-N 1 2 342.403 0.536 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 ZINC001053326945 765978572 /nfs/dbraw/zinc/97/85/72/765978572.db2.gz QHSFPVNNGOGTIT-UHFFFAOYSA-N 1 2 332.404 0.769 20 30 ECEDLO N#CCN1CC2(C1)CN(C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)CCO2 ZINC001053391539 766070292 /nfs/dbraw/zinc/07/02/92/766070292.db2.gz PESOYVXZKHHQNF-INIZCTEOSA-N 1 2 348.447 0.067 20 30 ECEDLO N#CCN1CC2(C1)CN(C(=O)[C@@H]1COCC[N@H+]1C1CCCC1)CCO2 ZINC001053391539 766070298 /nfs/dbraw/zinc/07/02/98/766070298.db2.gz PESOYVXZKHHQNF-INIZCTEOSA-N 1 2 348.447 0.067 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001017748999 768346466 /nfs/dbraw/zinc/34/64/66/768346466.db2.gz WJKDVRXVTANMTI-CABCVRRESA-N 1 2 344.415 0.818 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCOC2(C[NH+](C[C@@H](C)OC)C2)C1 ZINC001053469721 766186302 /nfs/dbraw/zinc/18/63/02/766186302.db2.gz PLZLVCHQDMOMJL-PMPSAXMXSA-N 1 2 338.448 0.916 20 30 ECEDLO N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001017767597 768355842 /nfs/dbraw/zinc/35/58/42/768355842.db2.gz OUQLYRHQONZVES-IXDOHACOSA-N 1 2 332.448 0.686 20 30 ECEDLO N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001017767597 768355851 /nfs/dbraw/zinc/35/58/51/768355851.db2.gz OUQLYRHQONZVES-IXDOHACOSA-N 1 2 332.448 0.686 20 30 ECEDLO C[C@@H](CCNc1ccnc(C#N)n1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001106483221 768357353 /nfs/dbraw/zinc/35/73/53/768357353.db2.gz XYVHEOXRBVPMIN-QWHCGFSZSA-N 1 2 339.403 0.536 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001045783224 766365068 /nfs/dbraw/zinc/36/50/68/766365068.db2.gz RYMXMFDUDZJXDQ-XNJGSVPQSA-N 1 2 346.431 0.805 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001045783224 766365076 /nfs/dbraw/zinc/36/50/76/766365076.db2.gz RYMXMFDUDZJXDQ-XNJGSVPQSA-N 1 2 346.431 0.805 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(=O)n(C)[nH]1 ZINC001045827024 766411705 /nfs/dbraw/zinc/41/17/05/766411705.db2.gz GORLJXJGDXIQHW-OLZOCXBDSA-N 1 2 333.436 0.886 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(=O)n(C)[nH]1 ZINC001045827024 766411711 /nfs/dbraw/zinc/41/17/11/766411711.db2.gz GORLJXJGDXIQHW-OLZOCXBDSA-N 1 2 333.436 0.886 20 30 ECEDLO C#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCn3c[nH+]cc3C1)O2 ZINC001053617626 766443012 /nfs/dbraw/zinc/44/30/12/766443012.db2.gz CJHZOZGKAQSCCL-HOCLYGCPSA-N 1 2 328.416 0.428 20 30 ECEDLO C#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCc3c[nH+]cn3C1)O2 ZINC001053619818 766450538 /nfs/dbraw/zinc/45/05/38/766450538.db2.gz XDXFNOGOUZOUSC-ZBFHGGJFSA-N 1 2 328.416 0.428 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCc2sc(C[NH2+][C@@H]3CCN(C)C3=O)nc2C1 ZINC001089273852 766470494 /nfs/dbraw/zinc/47/04/94/766470494.db2.gz HXRYNCCLDLENSH-GHMZBOCLSA-N 1 2 347.444 0.508 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnc3c(c1)nnn3C)O2 ZINC001053628692 766474992 /nfs/dbraw/zinc/47/49/92/766474992.db2.gz VPXIYWHWYUGXKH-CYBMUJFWSA-N 1 2 342.403 0.513 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc3n(n1)CCCO3)O2 ZINC001053631391 766479526 /nfs/dbraw/zinc/47/95/26/766479526.db2.gz WGVWZIPDEWJLPB-CYBMUJFWSA-N 1 2 332.404 0.815 20 30 ECEDLO Cn1cnnc1C[NH+]1CCC2(C[C@H]2NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001016567476 766510479 /nfs/dbraw/zinc/51/04/79/766510479.db2.gz YRYMVDKWOATIRS-CQSZACIVSA-N 1 2 339.403 0.799 20 30 ECEDLO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCc3nn[nH]c31)O2 ZINC001053654750 766521888 /nfs/dbraw/zinc/52/18/88/766521888.db2.gz VFAYFUZUIIVZRT-KGLIPLIRSA-N 1 2 343.431 0.598 20 30 ECEDLO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCc3n[nH]nc31)O2 ZINC001053654750 766521894 /nfs/dbraw/zinc/52/18/94/766521894.db2.gz VFAYFUZUIIVZRT-KGLIPLIRSA-N 1 2 343.431 0.598 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCc3nnnn3CC1)O2 ZINC001053664306 766538528 /nfs/dbraw/zinc/53/85/28/766538528.db2.gz QQMIIFYRLYQJJT-KBPBESRZSA-N 1 2 346.435 0.161 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(=O)n(CCC)n1)O2 ZINC001053695346 766606411 /nfs/dbraw/zinc/60/64/11/766606411.db2.gz FOOOFDSACAKWGF-AWEZNQCLSA-N 1 2 346.431 0.803 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)O2 ZINC001053696342 766608646 /nfs/dbraw/zinc/60/86/46/766608646.db2.gz GQJMDAJNEXYQEK-LBPRGKRZSA-N 1 2 348.403 0.025 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@H]1OC ZINC001212258567 766609576 /nfs/dbraw/zinc/60/95/76/766609576.db2.gz WFRWQNWSUZMRLG-JGGQBBKZSA-N 1 2 335.404 0.645 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@H]1OC ZINC001212258567 766609580 /nfs/dbraw/zinc/60/95/80/766609580.db2.gz WFRWQNWSUZMRLG-JGGQBBKZSA-N 1 2 335.404 0.645 20 30 ECEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#C)C[C@H]1OC ZINC001213269136 766617236 /nfs/dbraw/zinc/61/72/36/766617236.db2.gz ATFWYWYNSYYFAP-HZPDHXFCSA-N 1 2 333.432 0.135 20 30 ECEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](CC(=O)NCC#C)C[C@H]1OC ZINC001213269136 766617239 /nfs/dbraw/zinc/61/72/39/766617239.db2.gz ATFWYWYNSYYFAP-HZPDHXFCSA-N 1 2 333.432 0.135 20 30 ECEDLO CCc1nnc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)o1 ZINC001046011551 766635391 /nfs/dbraw/zinc/63/53/91/766635391.db2.gz DTWXGZKQQSBHRD-ZIAGYGMSSA-N 1 2 346.435 0.510 20 30 ECEDLO CCc1nnc(C[N@H+]2CC[C@@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)o1 ZINC001046011551 766635395 /nfs/dbraw/zinc/63/53/95/766635395.db2.gz DTWXGZKQQSBHRD-ZIAGYGMSSA-N 1 2 346.435 0.510 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ncccn3)C2)CC1 ZINC001046012467 766639497 /nfs/dbraw/zinc/63/94/97/766639497.db2.gz OLDGCBQRBBARLG-HUUCEWRRSA-N 1 2 328.420 0.355 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ncccn3)C2)CC1 ZINC001046012467 766639499 /nfs/dbraw/zinc/63/94/99/766639499.db2.gz OLDGCBQRBBARLG-HUUCEWRRSA-N 1 2 328.420 0.355 20 30 ECEDLO O=C(C#CC1CC1)N1CCN([C@H]2CC[N@H+](Cc3cnns3)C2)CC1 ZINC001046026875 766684126 /nfs/dbraw/zinc/68/41/26/766684126.db2.gz GNYFXXQDOUDKSW-HNNXBMFYSA-N 1 2 345.472 0.670 20 30 ECEDLO O=C(C#CC1CC1)N1CCN([C@H]2CC[N@@H+](Cc3cnns3)C2)CC1 ZINC001046026875 766684129 /nfs/dbraw/zinc/68/41/29/766684129.db2.gz GNYFXXQDOUDKSW-HNNXBMFYSA-N 1 2 345.472 0.670 20 30 ECEDLO O=C(C#CC1CC1)N1CC[NH+]([C@H]2CCN(Cc3cnsn3)C2)CC1 ZINC001046028297 766690203 /nfs/dbraw/zinc/69/02/03/766690203.db2.gz YPQYRYHKTWKJTP-INIZCTEOSA-N 1 2 345.472 0.670 20 30 ECEDLO CC1(C)CO[C@H](CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)C1 ZINC001046044607 766767655 /nfs/dbraw/zinc/76/76/55/766767655.db2.gz ZTLVWJPZFSPHFZ-JKSUJKDBSA-N 1 2 334.464 0.934 20 30 ECEDLO Cc1cc(C)c(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)c(=O)[nH]1 ZINC001046048988 766781902 /nfs/dbraw/zinc/78/19/02/766781902.db2.gz HPNZUZRZQATGSS-OAHLLOKOSA-N 1 2 343.431 0.760 20 30 ECEDLO Cc1nn(C)c(C)c1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046049233 766782658 /nfs/dbraw/zinc/78/26/58/766782658.db2.gz LOFXXHFKAOCPKX-HNNXBMFYSA-N 1 2 330.436 0.393 20 30 ECEDLO C[C@@H](Oc1cccnc1)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046061150 766828643 /nfs/dbraw/zinc/82/86/43/766828643.db2.gz JIVNTHHLQBZRIU-CVEARBPZSA-N 1 2 343.431 0.591 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3nccn4ccnc34)CC2)C1 ZINC001046063511 766838681 /nfs/dbraw/zinc/83/86/81/766838681.db2.gz QBAGCVXFPPWQOT-AWEZNQCLSA-N 1 2 339.403 0.085 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)C3(CF)CCOCC3)CC2)C1 ZINC001046064031 766841366 /nfs/dbraw/zinc/84/13/66/766841366.db2.gz CWBHFTCZNLHNJF-OAHLLOKOSA-N 1 2 338.427 0.495 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3Cc4ccncc4C3)CC2)C1 ZINC001046064159 766841768 /nfs/dbraw/zinc/84/17/68/766841768.db2.gz GWPCYUWVVJELCS-SJLPKXTDSA-N 1 2 339.443 0.538 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)nn1 ZINC001046070071 766871824 /nfs/dbraw/zinc/87/18/24/766871824.db2.gz OHYAUDPIIXXGHJ-OAHLLOKOSA-N 1 2 343.435 0.210 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCN(C(=O)CC)C1)CO2 ZINC001053813361 766909199 /nfs/dbraw/zinc/90/91/99/766909199.db2.gz PIPXRGBOAZWQDC-JKSUJKDBSA-N 1 2 347.459 0.618 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC001046085067 766926080 /nfs/dbraw/zinc/92/60/80/766926080.db2.gz DNZMMAPQDNZBJS-HOCLYGCPSA-N 1 2 342.447 0.257 20 30 ECEDLO CC[C@@H](C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1)N1CCCC1=O ZINC001046087101 766929353 /nfs/dbraw/zinc/92/93/53/766929353.db2.gz UDSIOKNWVQROAV-CVEARBPZSA-N 1 2 347.463 0.129 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C3CC3)n(C)n1)CO2 ZINC001053822333 766940979 /nfs/dbraw/zinc/94/09/79/766940979.db2.gz LAMOECZOUYYIEL-CQSZACIVSA-N 1 2 328.416 0.894 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnn3ccncc13)CO2 ZINC001053831295 766966250 /nfs/dbraw/zinc/96/62/50/766966250.db2.gz ZCBGDXOFLZXODE-CYBMUJFWSA-N 1 2 325.372 0.326 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccnc(OCCOC)c2)[C@H](OC)C1 ZINC001212270252 766979024 /nfs/dbraw/zinc/97/90/24/766979024.db2.gz KRHLMQTWQMJUOO-HUUCEWRRSA-N 1 2 333.388 0.169 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccnc(OCCOC)c2)[C@H](OC)C1 ZINC001212270252 766979032 /nfs/dbraw/zinc/97/90/32/766979032.db2.gz KRHLMQTWQMJUOO-HUUCEWRRSA-N 1 2 333.388 0.169 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C(N)=O)cn1C)CO2 ZINC001053858711 767047276 /nfs/dbraw/zinc/04/72/76/767047276.db2.gz PEARXPPNPQGULT-CYBMUJFWSA-N 1 2 332.404 0.273 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCN(C(C)=O)C1)CO2 ZINC001053864599 767067340 /nfs/dbraw/zinc/06/73/40/767067340.db2.gz FLOYTFRWSJUQFJ-JKSUJKDBSA-N 1 2 333.432 0.228 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc3nccn3c1)CO2 ZINC001053870389 767086180 /nfs/dbraw/zinc/08/61/80/767086180.db2.gz IWVYYXFECDTFFG-AWEZNQCLSA-N 1 2 327.388 0.879 20 30 ECEDLO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001046311914 767141073 /nfs/dbraw/zinc/14/10/73/767141073.db2.gz MGRBRCLYQFYDJR-ZDUSSCGKSA-N 1 2 346.431 0.634 20 30 ECEDLO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001046311914 767141074 /nfs/dbraw/zinc/14/10/74/767141074.db2.gz MGRBRCLYQFYDJR-ZDUSSCGKSA-N 1 2 346.431 0.634 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnn3cccnc13)CO2 ZINC001053890039 767237970 /nfs/dbraw/zinc/23/79/70/767237970.db2.gz YBFVSOISRXKESS-CYBMUJFWSA-N 1 2 325.372 0.326 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C2C=CC=CC=C2)[C@H](OC)C1 ZINC001212340500 767266015 /nfs/dbraw/zinc/26/60/15/767266015.db2.gz MBWMXAQOPZZNQU-HZPDHXFCSA-N 1 2 331.416 0.402 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C2C=CC=CC=C2)[C@H](OC)C1 ZINC001212340500 767266018 /nfs/dbraw/zinc/26/60/18/767266018.db2.gz MBWMXAQOPZZNQU-HZPDHXFCSA-N 1 2 331.416 0.402 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2C=CC=CC=C2)[C@H](OC)C1 ZINC001212341248 767268431 /nfs/dbraw/zinc/26/84/31/767268431.db2.gz YAMPIIDQVUFKAC-USXIJHARSA-N 1 2 345.443 0.791 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2C=CC=CC=C2)[C@H](OC)C1 ZINC001212341248 767268433 /nfs/dbraw/zinc/26/84/33/767268433.db2.gz YAMPIIDQVUFKAC-USXIJHARSA-N 1 2 345.443 0.791 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C)nc(OC)c1)CO2 ZINC001053907670 767326204 /nfs/dbraw/zinc/32/62/04/767326204.db2.gz BRQFBICHGCLJFL-OAHLLOKOSA-N 1 2 329.400 0.995 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2COC3(C[NH+]([C@@H](C)COC)C3)C2)c1 ZINC001053918860 767356919 /nfs/dbraw/zinc/35/69/19/767356919.db2.gz XLHSMQVDQIHFDN-XJKSGUPXSA-N 1 2 329.400 0.671 20 30 ECEDLO Cc1nsc(NC[C@H](O)CNC(=O)CCc2c[nH]c[nH+]2)c1C#N ZINC001106150424 767365579 /nfs/dbraw/zinc/36/55/79/767365579.db2.gz SZFACDWIYOINCL-LLVKDONJSA-N 1 2 334.405 0.568 20 30 ECEDLO Cc1nsc(NC[C@H](O)CNC(=O)CCc2c[nH+]c[nH]2)c1C#N ZINC001106150424 767365586 /nfs/dbraw/zinc/36/55/86/767365586.db2.gz SZFACDWIYOINCL-LLVKDONJSA-N 1 2 334.405 0.568 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnn3cc(C)cnc13)CO2 ZINC001053945535 767421838 /nfs/dbraw/zinc/42/18/38/767421838.db2.gz ZKVXKQATMCPNJG-AWEZNQCLSA-N 1 2 339.399 0.634 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060462416 767429391 /nfs/dbraw/zinc/42/93/91/767429391.db2.gz BZHYFUYNTYATJU-UONOGXRCSA-N 1 2 332.404 0.345 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2COC3(C[NH+](CCCF)C3)C2)nn1 ZINC001053950647 767435336 /nfs/dbraw/zinc/43/53/36/767435336.db2.gz GNRLSYNNTQRJJG-CYBMUJFWSA-N 1 2 337.399 0.787 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 ZINC001106171466 767468050 /nfs/dbraw/zinc/46/80/50/767468050.db2.gz AJAXXZWRKNMFKU-AWEZNQCLSA-N 1 2 341.371 0.489 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCN(C(=O)CC)C1)CO2 ZINC001053975304 767504419 /nfs/dbraw/zinc/50/44/19/767504419.db2.gz FIICFMVQHZQURQ-GJZGRUSLSA-N 1 2 335.448 0.781 20 30 ECEDLO C=CCO[C@H](C)C(=O)NCC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060464545 767508954 /nfs/dbraw/zinc/50/89/54/767508954.db2.gz ZVAYWPFXSRPOKD-KGLIPLIRSA-N 1 2 334.420 0.898 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@]1(C)CCN(C(C)=O)C1)CO2 ZINC001053977216 767510021 /nfs/dbraw/zinc/51/00/21/767510021.db2.gz PHCKNEUJTPDNTL-NVXWUHKLSA-N 1 2 335.448 0.781 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c3c(nn1C)CCC3)CO2 ZINC001053979740 767518399 /nfs/dbraw/zinc/51/83/99/767518399.db2.gz WTIRBDSZUPNRKA-CYBMUJFWSA-N 1 2 328.416 0.505 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCCN1C(N)=O)CO2 ZINC001053980171 767519630 /nfs/dbraw/zinc/51/96/30/767519630.db2.gz IQQMHDJJLDJAFC-UONOGXRCSA-N 1 2 336.436 0.455 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2COC3(C[NH+](C[C@H](C)OC)C3)C2)nc1 ZINC001053985209 767534617 /nfs/dbraw/zinc/53/46/17/767534617.db2.gz LLHHZDGLWNHHPD-DZGCQCFKSA-N 1 2 329.400 0.671 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCN1C(=O)CCC)CO2 ZINC001054014478 767600897 /nfs/dbraw/zinc/60/08/97/767600897.db2.gz BKSFQERDPFXQFH-HZPDHXFCSA-N 1 2 347.459 0.760 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1noc3c1COCC3)CO2 ZINC001054014800 767602232 /nfs/dbraw/zinc/60/22/32/767602232.db2.gz RNIPYRBNZRXMEY-LBPRGKRZSA-N 1 2 333.388 0.897 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3nnc(C)n3C1)CO2 ZINC001054015201 767603074 /nfs/dbraw/zinc/60/30/74/767603074.db2.gz CSTOCCIHKSJWIC-HUUCEWRRSA-N 1 2 343.431 0.132 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCNC(=O)C1 ZINC001054036086 767635061 /nfs/dbraw/zinc/63/50/61/767635061.db2.gz BTDMVUBETXPJSW-DOTOQJQBSA-N 1 2 325.412 0.689 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCNC(=O)C1 ZINC001054036086 767635065 /nfs/dbraw/zinc/63/50/65/767635065.db2.gz BTDMVUBETXPJSW-DOTOQJQBSA-N 1 2 325.412 0.689 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1COCCN1C ZINC001054038233 767637236 /nfs/dbraw/zinc/63/72/36/767637236.db2.gz XQEDPXXNHXMLAH-ROUUACIJSA-N 1 2 327.428 0.493 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1COCCN1C ZINC001054038233 767637238 /nfs/dbraw/zinc/63/72/38/767637238.db2.gz XQEDPXXNHXMLAH-ROUUACIJSA-N 1 2 327.428 0.493 20 30 ECEDLO C[C@H](CCNc1ccnc(C#N)n1)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001106583444 768462949 /nfs/dbraw/zinc/46/29/49/768462949.db2.gz ZHJPXGWNEQTEME-NEPJUHHUSA-N 1 2 339.403 0.920 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(N2CCCC2)ncn1 ZINC001017947061 768536478 /nfs/dbraw/zinc/53/64/78/768536478.db2.gz XVQRDYBYNQLCFP-GASCZTMLSA-N 1 2 325.416 0.999 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(N2CCCC2)ncn1 ZINC001017947061 768536484 /nfs/dbraw/zinc/53/64/84/768536484.db2.gz XVQRDYBYNQLCFP-GASCZTMLSA-N 1 2 325.416 0.999 20 30 ECEDLO N#Cc1nccnc1N[C@@H]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001060535309 768567716 /nfs/dbraw/zinc/56/77/16/768567716.db2.gz MJJVJWQVJKPMJL-BFHYXJOUSA-N 1 2 337.387 0.894 20 30 ECEDLO C=CCOCC(=O)N1C[C@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@H]2C1 ZINC001055251035 768710282 /nfs/dbraw/zinc/71/02/82/768710282.db2.gz UQAPFVHLIHDOHC-IYBDPMFKSA-N 1 2 346.431 0.783 20 30 ECEDLO C#CCCCC(=O)N1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001055309266 768765133 /nfs/dbraw/zinc/76/51/33/768765133.db2.gz ADAXDZRBMTYKDN-GASCZTMLSA-N 1 2 328.416 0.981 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001055329580 768786628 /nfs/dbraw/zinc/78/66/28/768786628.db2.gz SFWHXGZIVDZKSY-GASCZTMLSA-N 1 2 328.416 0.919 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001055329580 768786631 /nfs/dbraw/zinc/78/66/31/768786631.db2.gz SFWHXGZIVDZKSY-GASCZTMLSA-N 1 2 328.416 0.919 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC001055337681 768793568 /nfs/dbraw/zinc/79/35/68/768793568.db2.gz DZGWCAKTNWABEQ-GASCZTMLSA-N 1 2 344.415 0.217 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000993349966 768837221 /nfs/dbraw/zinc/83/72/21/768837221.db2.gz PQROPVXICNQOAR-IYOUNJFTSA-N 1 2 343.431 0.819 20 30 ECEDLO C=CC(C)(C)CC(=O)NCC[NH+]1CCC(NC(=O)c2nc[nH]n2)CC1 ZINC001055580895 769179842 /nfs/dbraw/zinc/17/98/42/769179842.db2.gz UYWXYMBLOJCRMP-UHFFFAOYSA-N 1 2 348.451 0.717 20 30 ECEDLO C=C(C)CCC(=O)NCC[NH+]1CCC(NC(=O)c2nc[nH]n2)CC1 ZINC001055584065 769182829 /nfs/dbraw/zinc/18/28/29/769182829.db2.gz CAEWSGQQKJDZNE-UHFFFAOYSA-N 1 2 334.424 0.471 20 30 ECEDLO C[C@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001018364860 769207158 /nfs/dbraw/zinc/20/71/58/769207158.db2.gz UCPDFGLJBKNSSA-WCQYABFASA-N 1 2 340.387 0.961 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)C3CC(OC)C3)C2)CC1 ZINC001018366655 769214554 /nfs/dbraw/zinc/21/45/54/769214554.db2.gz CNXFFIKHHIPWIS-KLAILNCOSA-N 1 2 349.475 0.980 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3c[nH]nc3C)C2)CC1 ZINC001018369517 769222702 /nfs/dbraw/zinc/22/27/02/769222702.db2.gz LQEGOEWTWZVWAM-OAHLLOKOSA-N 1 2 345.447 0.901 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)C(C)(C)F ZINC000993604281 769348776 /nfs/dbraw/zinc/34/87/76/769348776.db2.gz YSOZHABOUOOMJP-ZIAGYGMSSA-N 1 2 346.406 0.992 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(C)=O)C2)nc1 ZINC000993614774 769364576 /nfs/dbraw/zinc/36/45/76/769364576.db2.gz IRSRIQYDARFPNY-GDBMZVCRSA-N 1 2 337.383 0.541 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2nn(C)cc2Cl)C1 ZINC001078358727 782769512 /nfs/dbraw/zinc/76/95/12/782769512.db2.gz VLPWAXWPNBCDKA-RYUDHWBXSA-N 1 2 339.827 0.940 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2nn(C)cc2Cl)C1 ZINC001078358728 782769904 /nfs/dbraw/zinc/76/99/04/782769904.db2.gz VLPWAXWPNBCDKA-VXGBXAGGSA-N 1 2 339.827 0.940 20 30 ECEDLO C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001055826066 769868676 /nfs/dbraw/zinc/86/86/76/769868676.db2.gz WJGWZKWGRFTBRI-LBTNJELSSA-N 1 2 346.431 0.949 20 30 ECEDLO C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001055826066 769868691 /nfs/dbraw/zinc/86/86/91/769868691.db2.gz WJGWZKWGRFTBRI-LBTNJELSSA-N 1 2 346.431 0.949 20 30 ECEDLO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H]1C ZINC000994010718 770006308 /nfs/dbraw/zinc/00/63/08/770006308.db2.gz QFYCRDPCQXLDJU-GXTWGEPZSA-N 1 2 344.419 0.616 20 30 ECEDLO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H]1C ZINC000994010718 770006322 /nfs/dbraw/zinc/00/63/22/770006322.db2.gz QFYCRDPCQXLDJU-GXTWGEPZSA-N 1 2 344.419 0.616 20 30 ECEDLO C#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001055911270 770183075 /nfs/dbraw/zinc/18/30/75/770183075.db2.gz YBFAWYCMCIKLLM-GOSISDBHSA-N 1 2 346.431 0.616 20 30 ECEDLO C#CCCCC(=O)N1CCC[C@](CO)(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001055914543 770199872 /nfs/dbraw/zinc/19/98/72/770199872.db2.gz HCVFHISYZMWGKG-SFHVURJKSA-N 1 2 346.431 0.616 20 30 ECEDLO CC(C)(C)C#CC(=O)N[C@@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001055940853 770301307 /nfs/dbraw/zinc/30/13/07/770301307.db2.gz QSOXOLUHPFZWDS-SFHVURJKSA-N 1 2 346.431 0.402 20 30 ECEDLO N#Cc1nccc(N2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)n1 ZINC001055941345 770302786 /nfs/dbraw/zinc/30/27/86/770302786.db2.gz JJQXLSXIRAUXOT-ZDUSSCGKSA-N 1 2 337.387 0.456 20 30 ECEDLO C#CCOCCC(=O)N(CC)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106852364 770341140 /nfs/dbraw/zinc/34/11/40/770341140.db2.gz CCDHNCOLXWDFEY-UHFFFAOYSA-N 1 2 334.424 0.546 20 30 ECEDLO CC(C)C#CC(=O)N1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001055998483 770502801 /nfs/dbraw/zinc/50/28/01/770502801.db2.gz RZHJGSVZYYYNPM-QGZVFWFLSA-N 1 2 332.404 0.012 20 30 ECEDLO CCN(CCNc1ccnc(C#N)n1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001106880014 770518099 /nfs/dbraw/zinc/51/80/99/770518099.db2.gz YNFXIMPJHDHALX-CYBMUJFWSA-N 1 2 339.403 0.490 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1 ZINC001056031666 770616129 /nfs/dbraw/zinc/61/61/29/770616129.db2.gz CAJIOZHETDPYOX-GOSISDBHSA-N 1 2 344.415 0.144 20 30 ECEDLO CCc1noc(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCCO2)n1 ZINC001078397991 782868790 /nfs/dbraw/zinc/86/87/90/782868790.db2.gz JGTKETYGXPDZDP-CQSZACIVSA-N 1 2 332.404 0.753 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056313497 771109755 /nfs/dbraw/zinc/10/97/55/771109755.db2.gz BKYJKIWGJHZAOE-CABCVRRESA-N 1 2 332.404 0.747 20 30 ECEDLO N#Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cn1 ZINC001056326687 771130026 /nfs/dbraw/zinc/13/00/26/771130026.db2.gz HKWJFXSPLILBBS-QTXLCTLRSA-N 1 2 348.410 0.963 20 30 ECEDLO N#Cc1cnc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cn1 ZINC001056330086 771135757 /nfs/dbraw/zinc/13/57/57/771135757.db2.gz IRTIERAHKYPYTK-CVGURMSBSA-N 1 2 349.398 0.358 20 30 ECEDLO N#Cc1cncc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCc3c[nH+]cn3C2)n1 ZINC001056336032 771142878 /nfs/dbraw/zinc/14/28/78/771142878.db2.gz NMTVAKHTCQRBNQ-ZYIUAKIQSA-N 1 2 349.398 0.358 20 30 ECEDLO N#Cc1cncc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)n1 ZINC001056399336 771223147 /nfs/dbraw/zinc/22/31/47/771223147.db2.gz NQNZTSCPRMMHAQ-BCUIYNNISA-N 1 2 349.398 0.742 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001056456993 771288765 /nfs/dbraw/zinc/28/87/65/771288765.db2.gz WZSCSVUNHLLVAU-CABCVRRESA-N 1 2 332.404 0.678 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)cn1 ZINC000994604106 771291452 /nfs/dbraw/zinc/29/14/52/771291452.db2.gz ULEKHDWLZWHPPC-CQSZACIVSA-N 1 2 349.394 0.463 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001056480219 771320597 /nfs/dbraw/zinc/32/05/97/771320597.db2.gz YCNDIRDZAYXNKU-CVEARBPZSA-N 1 2 346.431 0.757 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056527677 771355643 /nfs/dbraw/zinc/35/56/43/771355643.db2.gz VAQAJERZAXMDRB-ILXRZTDVSA-N 1 2 344.415 0.582 20 30 ECEDLO CO[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C#CC(C)C ZINC001212241104 771363303 /nfs/dbraw/zinc/36/33/03/771363303.db2.gz KTSHQRVAOLXMPQ-BZUAXINKSA-N 1 2 335.448 0.471 20 30 ECEDLO CO[C@@H]1C[N@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C#CC(C)C ZINC001212241104 771363309 /nfs/dbraw/zinc/36/33/09/771363309.db2.gz KTSHQRVAOLXMPQ-BZUAXINKSA-N 1 2 335.448 0.471 20 30 ECEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001031619254 771467245 /nfs/dbraw/zinc/46/72/45/771467245.db2.gz PSOAIYAPOWDOEI-LBPRGKRZSA-N 1 2 343.431 0.995 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)C1 ZINC001056682366 771509802 /nfs/dbraw/zinc/50/98/02/771509802.db2.gz VLMZAQMQGYRPGE-CYBMUJFWSA-N 1 2 325.376 0.727 20 30 ECEDLO CCc1nc(C#N)cc(N[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001056687965 771516190 /nfs/dbraw/zinc/51/61/90/771516190.db2.gz VFCFYQQLVWZAIC-LLVKDONJSA-N 1 2 325.376 0.889 20 30 ECEDLO N#Cc1ccc(N[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)nn1 ZINC001056726233 771560615 /nfs/dbraw/zinc/56/06/15/771560615.db2.gz WNXUDJOCTPTGLY-TZMCWYRMSA-N 1 2 337.387 0.820 20 30 ECEDLO N#Cc1nccnc1N[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001056726137 771560625 /nfs/dbraw/zinc/56/06/25/771560625.db2.gz RWDRTAQUDWRHSJ-QWHCGFSZSA-N 1 2 337.387 0.820 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](n2cc(C[NH2+]Cc3cncs3)nn2)C1 ZINC001089579048 771562119 /nfs/dbraw/zinc/56/21/19/771562119.db2.gz CGPAVAJBFSIUJR-WCQYABFASA-N 1 2 345.432 0.957 20 30 ECEDLO CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001057074399 772041899 /nfs/dbraw/zinc/04/18/99/772041899.db2.gz DSRXTAMJHODVQM-CQSZACIVSA-N 1 2 339.403 0.752 20 30 ECEDLO CC(C)(C)n1nnc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001020085043 772139243 /nfs/dbraw/zinc/13/92/43/772139243.db2.gz AIMBERUNSKFLPF-HAQNSBGRSA-N 1 2 342.407 0.678 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCN(c2cnc(C#N)cn2)CC1 ZINC001057245596 772336555 /nfs/dbraw/zinc/33/65/55/772336555.db2.gz JUEFGCHUKWHUGQ-ZDUSSCGKSA-N 1 2 339.403 0.989 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCN(c2cnc(C#N)cn2)CC1 ZINC001057245596 772336561 /nfs/dbraw/zinc/33/65/61/772336561.db2.gz JUEFGCHUKWHUGQ-ZDUSSCGKSA-N 1 2 339.403 0.989 20 30 ECEDLO C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001057445096 772621935 /nfs/dbraw/zinc/62/19/35/772621935.db2.gz HECCKTUTPDEBHW-CQSZACIVSA-N 1 2 346.431 0.570 20 30 ECEDLO C#CCCCCCC(=O)NCCN(CCO)C(=O)CCc1[nH]cc[nH+]1 ZINC001057460459 772647396 /nfs/dbraw/zinc/64/73/96/772647396.db2.gz ZHGISDWNPIONHK-UHFFFAOYSA-N 1 2 348.447 0.863 20 30 ECEDLO CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001057524474 772716532 /nfs/dbraw/zinc/71/65/32/772716532.db2.gz HAICWTNCNMWVTM-HNNXBMFYSA-N 1 2 346.431 0.042 20 30 ECEDLO C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001057806961 773006531 /nfs/dbraw/zinc/00/65/31/773006531.db2.gz YQRNVYNJTWHHCW-OAHLLOKOSA-N 1 2 348.447 0.739 20 30 ECEDLO C#CCC1(C(=O)N(CCO)CCNC(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC001057823354 773034207 /nfs/dbraw/zinc/03/42/07/773034207.db2.gz QWVHCFINBCSCMK-UHFFFAOYSA-N 1 2 346.431 0.473 20 30 ECEDLO C#CCC1(C(=O)N(CCO)CCNC(=O)CCc2c[nH+]c[nH]2)CCC1 ZINC001057823354 773034211 /nfs/dbraw/zinc/03/42/11/773034211.db2.gz QWVHCFINBCSCMK-UHFFFAOYSA-N 1 2 346.431 0.473 20 30 ECEDLO C=CCCC(=O)NCCN(CCO)C(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001057869847 773101462 /nfs/dbraw/zinc/10/14/62/773101462.db2.gz DNSQIUCXEACSOD-QGZVFWFLSA-N 1 2 348.447 0.588 20 30 ECEDLO CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001057946461 773247965 /nfs/dbraw/zinc/24/79/65/773247965.db2.gz CYKZGGKRWMGTOJ-HNNXBMFYSA-N 1 2 346.431 0.042 20 30 ECEDLO O=C(C#CC1CC1)NCCN(CCO)C(=O)CCCn1cc[nH+]c1 ZINC001057984307 773338954 /nfs/dbraw/zinc/33/89/54/773338954.db2.gz RPFXFLRSDQQIHE-UHFFFAOYSA-N 1 2 332.404 0.014 20 30 ECEDLO CC#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001040612674 783100630 /nfs/dbraw/zinc/10/06/30/783100630.db2.gz FFYVFNMCHTXLMU-KRWDZBQOSA-N 1 2 332.404 0.225 20 30 ECEDLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CCN(c2cncc(C#N)n2)CC1 ZINC001058089704 773515057 /nfs/dbraw/zinc/51/50/57/773515057.db2.gz QHPUCKRBERVIOP-UHFFFAOYSA-N 1 2 325.376 0.741 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040624946 783127223 /nfs/dbraw/zinc/12/72/23/783127223.db2.gz JZJILGGTACDEBE-CXAGYDPISA-N 1 2 334.420 0.634 20 30 ECEDLO C=CC(C)(C)CC(=O)NC[C@@]1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039819211 783148498 /nfs/dbraw/zinc/14/84/98/783148498.db2.gz NEYJBSVAKJAPOL-KRWDZBQOSA-N 1 2 334.420 0.634 20 30 ECEDLO CC#CCCCC(=O)N(CCO)CCNC(=O)CCCn1cc[nH+]c1 ZINC001058444331 774193535 /nfs/dbraw/zinc/19/35/35/774193535.db2.gz MIJJMVYCWKYERK-UHFFFAOYSA-N 1 2 348.447 0.794 20 30 ECEDLO N#Cc1cncc(N2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H](O)C2)n1 ZINC001044767969 774591271 /nfs/dbraw/zinc/59/12/71/774591271.db2.gz RDPAWLIDZHJLOE-CABCVRRESA-N 1 2 349.354 0.204 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CN(c3nccnc3C#N)C[C@H]21 ZINC001040674073 783230641 /nfs/dbraw/zinc/23/06/41/783230641.db2.gz PILUTZNZPBVLNO-SWLSCSKDSA-N 1 2 337.387 0.362 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3nonc3c2)[C@@H](n2ccnn2)C1 ZINC001070015427 790329800 /nfs/dbraw/zinc/32/98/00/790329800.db2.gz YJLIEZGIEBRKHS-CABCVRRESA-N 1 2 337.343 0.103 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3nonc3c2)[C@@H](n2ccnn2)C1 ZINC001070015427 790329817 /nfs/dbraw/zinc/32/98/17/790329817.db2.gz YJLIEZGIEBRKHS-CABCVRRESA-N 1 2 337.343 0.103 20 30 ECEDLO N#Cc1cnc(N2CC[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]32)cn1 ZINC001045249465 775231550 /nfs/dbraw/zinc/23/15/50/775231550.db2.gz FYJISMFFXUAYIN-WFASDCNBSA-N 1 2 337.387 0.741 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001044011562 775510028 /nfs/dbraw/zinc/51/00/28/775510028.db2.gz QZBUCGLWOLFTTP-CYBMUJFWSA-N 1 2 334.420 0.254 20 30 ECEDLO C=CCn1cc(C(=O)N(C)C2CN(Cc3cc(OC)cc[nH+]3)C2)nn1 ZINC001044022981 775535611 /nfs/dbraw/zinc/53/56/11/775535611.db2.gz XEIPWFLNERUZNE-UHFFFAOYSA-N 1 2 342.403 0.824 20 30 ECEDLO C=CCCn1cc(C(=O)N(C)C2C[NH+](CCc3cnn(C)c3)C2)nn1 ZINC001044028456 775547865 /nfs/dbraw/zinc/54/78/65/775547865.db2.gz REHUJUSUYMRKQR-UHFFFAOYSA-N 1 2 343.435 0.587 20 30 ECEDLO C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001045458532 775640126 /nfs/dbraw/zinc/64/01/26/775640126.db2.gz DSIXDVIBXPUZRJ-ZDUSSCGKSA-N 1 2 334.420 0.634 20 30 ECEDLO C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001045458532 775640137 /nfs/dbraw/zinc/64/01/37/775640137.db2.gz DSIXDVIBXPUZRJ-ZDUSSCGKSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001044141346 775776635 /nfs/dbraw/zinc/77/66/35/775776635.db2.gz LVLPDODHHGUMHE-KBPBESRZSA-N 1 2 334.420 0.421 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+](CCS(C)(=O)=O)CC1 ZINC001045560413 775802830 /nfs/dbraw/zinc/80/28/30/775802830.db2.gz RNJZIGXVCHUTNQ-KGLIPLIRSA-N 1 2 344.477 0.593 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc3c2OCC3)[C@@H](n2ccnn2)C1 ZINC001070031234 790392223 /nfs/dbraw/zinc/39/22/23/790392223.db2.gz MGYIRZFQHXKZBS-CVEARBPZSA-N 1 2 337.383 0.502 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc3c2OCC3)[C@@H](n2ccnn2)C1 ZINC001070031234 790392230 /nfs/dbraw/zinc/39/22/30/790392230.db2.gz MGYIRZFQHXKZBS-CVEARBPZSA-N 1 2 337.383 0.502 20 30 ECEDLO C#Cc1ccc(C(=O)NC2(C)CC[NH+](CCS(C)(=O)=O)CC2)nc1 ZINC001045625192 775913038 /nfs/dbraw/zinc/91/30/38/775913038.db2.gz OTOPBNRCIAISIA-UHFFFAOYSA-N 1 2 349.456 0.692 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(OCC)c2)[C@@H](n2ccnn2)C1 ZINC001070037817 790412922 /nfs/dbraw/zinc/41/29/22/790412922.db2.gz ABXHMQZOWQHABN-SJORKVTESA-N 1 2 339.399 0.965 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(OCC)c2)[C@@H](n2ccnn2)C1 ZINC001070037817 790412929 /nfs/dbraw/zinc/41/29/29/790412929.db2.gz ABXHMQZOWQHABN-SJORKVTESA-N 1 2 339.399 0.965 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001044323237 776153208 /nfs/dbraw/zinc/15/32/08/776153208.db2.gz HJDZUFAHOOJEOW-LBPRGKRZSA-N 1 2 334.420 0.552 20 30 ECEDLO C=CCCC1(C(=O)N2CC(O)(CNC(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001044323525 776153675 /nfs/dbraw/zinc/15/36/75/776153675.db2.gz OBKOJJHJXYACCM-UHFFFAOYSA-N 1 2 346.431 0.697 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001044404185 776278886 /nfs/dbraw/zinc/27/88/86/776278886.db2.gz ACUUKYTZYWVLPN-UHFFFAOYSA-N 1 2 334.420 0.552 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001044409668 776283979 /nfs/dbraw/zinc/28/39/79/776283979.db2.gz JWUKNVWDYFPVOR-UHFFFAOYSA-N 1 2 334.420 0.634 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2coc(C3CC3)n2)[C@@H](n2ccnn2)C1 ZINC001070047934 790446534 /nfs/dbraw/zinc/44/65/34/790446534.db2.gz PVZRHZGAQYQXHZ-OCCSQVGLSA-N 1 2 328.376 0.985 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2coc(C3CC3)n2)[C@@H](n2ccnn2)C1 ZINC001070047934 790446535 /nfs/dbraw/zinc/44/65/35/790446535.db2.gz PVZRHZGAQYQXHZ-OCCSQVGLSA-N 1 2 328.376 0.985 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)nc(C)n2)[C@@H](n2ccnn2)C1 ZINC001070052835 790460468 /nfs/dbraw/zinc/46/04/68/790460468.db2.gz OFKOVGVUBZBBIT-CVEARBPZSA-N 1 2 339.403 0.364 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)nc(C)n2)[C@@H](n2ccnn2)C1 ZINC001070052835 790460472 /nfs/dbraw/zinc/46/04/72/790460472.db2.gz OFKOVGVUBZBBIT-CVEARBPZSA-N 1 2 339.403 0.364 20 30 ECEDLO C#CCCCCC(=O)N1CC(O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001044656578 776588282 /nfs/dbraw/zinc/58/82/82/776588282.db2.gz FEACUZUVAHFJKV-UHFFFAOYSA-N 1 2 346.431 0.236 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001079642744 776588767 /nfs/dbraw/zinc/58/87/67/776588767.db2.gz KRZMNHDXOUYNER-KMUNFCNLSA-N 1 2 346.362 0.742 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001079642744 776588778 /nfs/dbraw/zinc/58/87/78/776588778.db2.gz KRZMNHDXOUYNER-KMUNFCNLSA-N 1 2 346.362 0.742 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001044667502 776608516 /nfs/dbraw/zinc/60/85/16/776608516.db2.gz XDEMIWFOEOSKHH-UHFFFAOYSA-N 1 2 348.447 0.645 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc3ncccn3n2)[C@@H](n2ccnn2)C1 ZINC001070058529 790473186 /nfs/dbraw/zinc/47/31/86/790473186.db2.gz IAPINDKJIRFNQL-KGLIPLIRSA-N 1 2 338.375 0.162 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc3ncccn3n2)[C@@H](n2ccnn2)C1 ZINC001070058529 790473192 /nfs/dbraw/zinc/47/31/92/790473192.db2.gz IAPINDKJIRFNQL-KGLIPLIRSA-N 1 2 338.375 0.162 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001079698452 776716045 /nfs/dbraw/zinc/71/60/45/776716045.db2.gz BURZUACQMSDECB-ZDUSSCGKSA-N 1 2 332.404 0.440 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001079702301 776724537 /nfs/dbraw/zinc/72/45/37/776724537.db2.gz BNAKMVZXQWFQCP-PSASIEDQSA-N 1 2 329.202 0.018 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001079702301 776724541 /nfs/dbraw/zinc/72/45/41/776724541.db2.gz BNAKMVZXQWFQCP-PSASIEDQSA-N 1 2 329.202 0.018 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc3nccnc32)[C@@H](n2ccnn2)C1 ZINC001070063155 790485027 /nfs/dbraw/zinc/48/50/27/790485027.db2.gz XQTWRJXVVPBECT-CVEARBPZSA-N 1 2 347.382 0.510 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc3nccnc32)[C@@H](n2ccnn2)C1 ZINC001070063155 790485032 /nfs/dbraw/zinc/48/50/32/790485032.db2.gz XQTWRJXVVPBECT-CVEARBPZSA-N 1 2 347.382 0.510 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001079775090 776847444 /nfs/dbraw/zinc/84/74/44/776847444.db2.gz SGFOQZRGIXEAPJ-BPLDGKMQSA-N 1 2 344.415 0.611 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001079775090 776847448 /nfs/dbraw/zinc/84/74/48/776847448.db2.gz SGFOQZRGIXEAPJ-BPLDGKMQSA-N 1 2 344.415 0.611 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001079797123 776887097 /nfs/dbraw/zinc/88/70/97/776887097.db2.gz ZTMDNACHQRBEAP-YUSALJHKSA-N 1 2 344.253 0.810 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001079797123 776887100 /nfs/dbraw/zinc/88/71/00/776887100.db2.gz ZTMDNACHQRBEAP-YUSALJHKSA-N 1 2 344.253 0.810 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2coc(COC)n2)[C@@H](n2ccnn2)C1 ZINC001070067959 790497030 /nfs/dbraw/zinc/49/70/30/790497030.db2.gz YTSJOBXRNHPVKE-YPMHNXCESA-N 1 2 332.364 0.254 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2coc(COC)n2)[C@@H](n2ccnn2)C1 ZINC001070067959 790497037 /nfs/dbraw/zinc/49/70/37/790497037.db2.gz YTSJOBXRNHPVKE-YPMHNXCESA-N 1 2 332.364 0.254 20 30 ECEDLO C=CCOCC(=O)N1CC(N(CC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001080001110 777213787 /nfs/dbraw/zinc/21/37/87/777213787.db2.gz VEFIGLVBVCVDQE-CQSZACIVSA-N 1 2 346.431 0.707 20 30 ECEDLO C=CCOCC(=O)N1CC(N(CC)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001080143155 777459440 /nfs/dbraw/zinc/45/94/40/777459440.db2.gz XKYCACLDTRMNQC-UHFFFAOYSA-N 1 2 334.420 0.949 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(OC)cc2)[C@@H](n2ccnn2)C1 ZINC001070082566 790541911 /nfs/dbraw/zinc/54/19/11/790541911.db2.gz RJBDYZCMJSYYIW-CVEARBPZSA-N 1 2 325.372 0.575 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)cc2)[C@@H](n2ccnn2)C1 ZINC001070082566 790541913 /nfs/dbraw/zinc/54/19/13/790541913.db2.gz RJBDYZCMJSYYIW-CVEARBPZSA-N 1 2 325.372 0.575 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cnc(C)nc3)C[C@H]2C)nn1 ZINC001080580194 778085887 /nfs/dbraw/zinc/08/58/87/778085887.db2.gz NMRJQTIARYEYQY-IUODEOHRSA-N 1 2 341.419 0.813 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cnc(C)nc3)C[C@H]2C)nn1 ZINC001080580194 778085898 /nfs/dbraw/zinc/08/58/98/778085898.db2.gz NMRJQTIARYEYQY-IUODEOHRSA-N 1 2 341.419 0.813 20 30 ECEDLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1Nc1ccc(C#N)nn1 ZINC001043425479 778306973 /nfs/dbraw/zinc/30/69/73/778306973.db2.gz BMCQWRDDHMUHDC-TZMCWYRMSA-N 1 2 325.376 0.894 20 30 ECEDLO CN(C(=O)[C@@H]1CCNC1=O)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001043528620 778476162 /nfs/dbraw/zinc/47/61/62/778476162.db2.gz NMMMAXAJBGGWKP-MRXNPFEDSA-N 1 2 342.399 0.368 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(CC)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001070109339 790632814 /nfs/dbraw/zinc/63/28/14/790632814.db2.gz RUFDIWNVGCIJNR-CABCVRRESA-N 1 2 329.408 0.415 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(CC)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001070109339 790632821 /nfs/dbraw/zinc/63/28/21/790632821.db2.gz RUFDIWNVGCIJNR-CABCVRRESA-N 1 2 329.408 0.415 20 30 ECEDLO C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001043611886 778590798 /nfs/dbraw/zinc/59/07/98/778590798.db2.gz ZMZUBUKQISOQAD-CQSZACIVSA-N 1 2 346.431 0.491 20 30 ECEDLO C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001043623421 778613161 /nfs/dbraw/zinc/61/31/61/778613161.db2.gz NCBDLOZTUVTRMH-CYBMUJFWSA-N 1 2 332.404 0.101 20 30 ECEDLO N#Cc1cccnc1N1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001043727980 778782538 /nfs/dbraw/zinc/78/25/38/778782538.db2.gz CUVVDMTVBGKYRJ-LSDHHAIUSA-N 1 2 338.371 0.266 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CC[C@@H](CNC(=O)[C@H](C)C#N)O2 ZINC001068620947 790731582 /nfs/dbraw/zinc/73/15/82/790731582.db2.gz ULKBOJQVXUPGPP-YPMHNXCESA-N 1 2 345.403 0.297 20 30 ECEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ncccn2)C1 ZINC001079146025 780813358 /nfs/dbraw/zinc/81/33/58/780813358.db2.gz NNCFZFSWJYJXOU-IAGOWNOFSA-N 1 2 336.395 0.797 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ncccn2)C1 ZINC001079146025 780813364 /nfs/dbraw/zinc/81/33/64/780813364.db2.gz NNCFZFSWJYJXOU-IAGOWNOFSA-N 1 2 336.395 0.797 20 30 ECEDLO CO[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001042986490 781140465 /nfs/dbraw/zinc/14/04/65/781140465.db2.gz FUOWCIGBVYBUGL-GDBMZVCRSA-N 1 2 343.362 0.983 20 30 ECEDLO Cc1cc(C#N)nc(N(C)C2CCN(C(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001068683379 790892475 /nfs/dbraw/zinc/89/24/75/790892475.db2.gz OBZRVRFDIDVUMW-UHFFFAOYSA-N 1 2 339.403 0.981 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)noc2C(F)(F)F)C1 ZINC001077749161 781641165 /nfs/dbraw/zinc/64/11/65/781641165.db2.gz GGYWQBIZOASFEA-NXEZZACHSA-N 1 2 331.294 0.800 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)noc2C(F)(F)F)C1 ZINC001077749161 781641172 /nfs/dbraw/zinc/64/11/72/781641172.db2.gz GGYWQBIZOASFEA-NXEZZACHSA-N 1 2 331.294 0.800 20 30 ECEDLO C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001077903338 781908036 /nfs/dbraw/zinc/90/80/36/781908036.db2.gz YVGGVMVLKMMUFU-HZPDHXFCSA-N 1 2 327.388 0.618 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NCC1(NC(=O)[C@@H](C)C#N)CCOCC1 ZINC001070232906 783708563 /nfs/dbraw/zinc/70/85/63/783708563.db2.gz URSYVEVFOKUHAF-NSHDSACASA-N 1 2 333.392 0.202 20 30 ECEDLO C=CC(C)(C)C(=O)NCC1(NC(=O)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001070278606 783784897 /nfs/dbraw/zinc/78/48/97/783784897.db2.gz MDZDEFOWXXKQRL-UHFFFAOYSA-N 1 2 334.420 0.946 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)c2ccnc(F)c2)C1=O ZINC001038091817 783842313 /nfs/dbraw/zinc/84/23/13/783842313.db2.gz IICQFMKOZUBDCM-UONOGXRCSA-N 1 2 332.379 0.812 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)c2ccnc(F)c2)C1=O ZINC001038091817 783842315 /nfs/dbraw/zinc/84/23/15/783842315.db2.gz IICQFMKOZUBDCM-UONOGXRCSA-N 1 2 332.379 0.812 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)c2cn(C)nc2C)C1=O ZINC001038111626 783865272 /nfs/dbraw/zinc/86/52/72/783865272.db2.gz BRQSVJSZYKZQRW-ZFWWWQNUSA-N 1 2 331.420 0.320 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)c2cn(C)nc2C)C1=O ZINC001038111626 783865279 /nfs/dbraw/zinc/86/52/79/783865279.db2.gz BRQSVJSZYKZQRW-ZFWWWQNUSA-N 1 2 331.420 0.320 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)c2ncccc2C)C1=O ZINC001038148272 783918550 /nfs/dbraw/zinc/91/85/50/783918550.db2.gz SFYVUHSVJXOQBY-HUUCEWRRSA-N 1 2 328.416 0.981 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)c2ncccc2C)C1=O ZINC001038148272 783918555 /nfs/dbraw/zinc/91/85/55/783918555.db2.gz SFYVUHSVJXOQBY-HUUCEWRRSA-N 1 2 328.416 0.981 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2CCNC(=O)C2)cc1F ZINC001038161603 783933540 /nfs/dbraw/zinc/93/35/40/783933540.db2.gz PSTUVJKPHUXTPV-DZGCQCFKSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2CCNC(=O)C2)cc1F ZINC001038161603 783933550 /nfs/dbraw/zinc/93/35/50/783933550.db2.gz PSTUVJKPHUXTPV-DZGCQCFKSA-N 1 2 344.390 0.914 20 30 ECEDLO Cc1csc(=O)n1CC[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038174885 783950871 /nfs/dbraw/zinc/95/08/71/783950871.db2.gz KHXFLOMZFMIXLG-CQSZACIVSA-N 1 2 345.428 0.922 20 30 ECEDLO Cc1csc(=O)n1CC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038174885 783950873 /nfs/dbraw/zinc/95/08/73/783950873.db2.gz KHXFLOMZFMIXLG-CQSZACIVSA-N 1 2 345.428 0.922 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001038222344 784015943 /nfs/dbraw/zinc/01/59/43/784015943.db2.gz PMSMMWUPWCMNHU-UONOGXRCSA-N 1 2 344.371 0.366 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001038222344 784015954 /nfs/dbraw/zinc/01/59/54/784015954.db2.gz PMSMMWUPWCMNHU-UONOGXRCSA-N 1 2 344.371 0.366 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)C1=COCCC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070440582 784078246 /nfs/dbraw/zinc/07/82/46/784078246.db2.gz JQCVSAWLYITUJY-OAHLLOKOSA-N 1 2 341.415 0.668 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)C[C@H]1CCOC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442199 784083705 /nfs/dbraw/zinc/08/37/05/784083705.db2.gz DZOXGHHEIHPGEU-HUUCEWRRSA-N 1 2 343.431 0.401 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001070904234 784084926 /nfs/dbraw/zinc/08/49/26/784084926.db2.gz QEIUZAJXLYRSGQ-ZIAGYGMSSA-N 1 2 334.420 0.959 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1coc(C)n1)C[C@H]2c1nnc(C)[nH]1 ZINC001070443927 784092020 /nfs/dbraw/zinc/09/20/20/784092020.db2.gz CSPKNZPOIVVPEO-ZDUSSCGKSA-N 1 2 340.387 0.584 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2n[nH]cc2F)C1 ZINC001070919674 784115272 /nfs/dbraw/zinc/11/52/72/784115272.db2.gz QGZDSUBJIWWMMT-RTXFEEFZSA-N 1 2 349.366 0.454 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2n[nH]cc2F)C1 ZINC001070919674 784115275 /nfs/dbraw/zinc/11/52/75/784115275.db2.gz QGZDSUBJIWWMMT-RTXFEEFZSA-N 1 2 349.366 0.454 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cccnn2)C1 ZINC001070920783 784117551 /nfs/dbraw/zinc/11/75/51/784117551.db2.gz DLNHEBALNSBLOE-CFVMTHIKSA-N 1 2 343.387 0.382 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cccnn2)C1 ZINC001070920783 784117554 /nfs/dbraw/zinc/11/75/54/784117554.db2.gz DLNHEBALNSBLOE-CFVMTHIKSA-N 1 2 343.387 0.382 20 30 ECEDLO CC(=O)N1CCC(=O)NCC[N@@H+](Cc2ccc(OCC#N)cc2)CC1 ZINC001070925442 784126916 /nfs/dbraw/zinc/12/69/16/784126916.db2.gz OSXHCXVVXJDEJS-UHFFFAOYSA-N 1 2 344.415 0.759 20 30 ECEDLO CC(=O)N1CCC(=O)NCC[N@H+](Cc2ccc(OCC#N)cc2)CC1 ZINC001070925442 784126922 /nfs/dbraw/zinc/12/69/22/784126922.db2.gz OSXHCXVVXJDEJS-UHFFFAOYSA-N 1 2 344.415 0.759 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2[nH]cnc2C)C1 ZINC001070926659 784130309 /nfs/dbraw/zinc/13/03/09/784130309.db2.gz JMJBNVJEYBESOM-MJBXVCDLSA-N 1 2 345.403 0.624 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2[nH]cnc2C)C1 ZINC001070926659 784130318 /nfs/dbraw/zinc/13/03/18/784130318.db2.gz JMJBNVJEYBESOM-MJBXVCDLSA-N 1 2 345.403 0.624 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ncccc2C)CC1 ZINC001070953933 784211749 /nfs/dbraw/zinc/21/17/49/784211749.db2.gz DGHDFGGSFVULRK-UHFFFAOYSA-N 1 2 328.416 0.677 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ncccc2C)CC1 ZINC001070953933 784211750 /nfs/dbraw/zinc/21/17/50/784211750.db2.gz DGHDFGGSFVULRK-UHFFFAOYSA-N 1 2 328.416 0.677 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(C)ncn2)CC1 ZINC001070956602 784223214 /nfs/dbraw/zinc/22/32/14/784223214.db2.gz UTBXUQJEMACMNY-UHFFFAOYSA-N 1 2 329.404 0.072 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C)ncn2)CC1 ZINC001070956602 784223219 /nfs/dbraw/zinc/22/32/19/784223219.db2.gz UTBXUQJEMACMNY-UHFFFAOYSA-N 1 2 329.404 0.072 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001070552260 784262493 /nfs/dbraw/zinc/26/24/93/784262493.db2.gz JHSOCMRYOWBTBW-CQSZACIVSA-N 1 2 334.420 0.663 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2onc(C)c2C)CC1 ZINC001070972852 784280310 /nfs/dbraw/zinc/28/03/10/784280310.db2.gz OYHOUGYQVQSZNW-UHFFFAOYSA-N 1 2 332.404 0.579 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2onc(C)c2C)CC1 ZINC001070972852 784280319 /nfs/dbraw/zinc/28/03/19/784280319.db2.gz OYHOUGYQVQSZNW-UHFFFAOYSA-N 1 2 332.404 0.579 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)Cn2nc(C)cc2C)CC1 ZINC001070979223 784302584 /nfs/dbraw/zinc/30/25/84/784302584.db2.gz XTSIPZITTQOHMN-UHFFFAOYSA-N 1 2 333.436 0.336 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)Cn2nc(C)cc2C)CC1 ZINC001070979223 784302592 /nfs/dbraw/zinc/30/25/92/784302592.db2.gz XTSIPZITTQOHMN-UHFFFAOYSA-N 1 2 333.436 0.336 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2ccc(=O)[nH]c2)CC1 ZINC001070979919 784304378 /nfs/dbraw/zinc/30/43/78/784304378.db2.gz FSPSDYMPTVDNNE-UHFFFAOYSA-N 1 2 332.404 0.166 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2ccc(=O)[nH]c2)CC1 ZINC001070979919 784304383 /nfs/dbraw/zinc/30/43/83/784304383.db2.gz FSPSDYMPTVDNNE-UHFFFAOYSA-N 1 2 332.404 0.166 20 30 ECEDLO C=C(C)CN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001070580326 784321522 /nfs/dbraw/zinc/32/15/22/784321522.db2.gz NDVVBVVSJSCFKD-KGLIPLIRSA-N 1 2 348.451 0.465 20 30 ECEDLO C=C(C)CN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001070580326 784321529 /nfs/dbraw/zinc/32/15/29/784321529.db2.gz NDVVBVVSJSCFKD-KGLIPLIRSA-N 1 2 348.451 0.465 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)c2c3c(nn2C)CCC3)CC1 ZINC001071015868 784423887 /nfs/dbraw/zinc/42/38/87/784423887.db2.gz XQLOFIYFSUNLML-UHFFFAOYSA-N 1 2 345.447 0.359 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)c2c3c(nn2C)CCC3)CC1 ZINC001071015868 784423890 /nfs/dbraw/zinc/42/38/90/784423890.db2.gz XQLOFIYFSUNLML-UHFFFAOYSA-N 1 2 345.447 0.359 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2c(Cl)cnn2C)C[C@H]1NCC#N ZINC001070648912 784494708 /nfs/dbraw/zinc/49/47/08/784494708.db2.gz DBFZMVHXJSEQNZ-ZYHUDNBSSA-N 1 2 347.810 0.528 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001070730370 784616263 /nfs/dbraw/zinc/61/62/63/784616263.db2.gz DHPDHUJOXGBKHJ-HUUCEWRRSA-N 1 2 346.431 0.735 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001070730370 784616265 /nfs/dbraw/zinc/61/62/65/784616265.db2.gz DHPDHUJOXGBKHJ-HUUCEWRRSA-N 1 2 346.431 0.735 20 30 ECEDLO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)c(C)cc1=O)C[C@H](C)O2 ZINC001071178492 784673266 /nfs/dbraw/zinc/67/32/66/784673266.db2.gz QFKWZCHYCGWJKA-HNAYVOBHSA-N 1 2 343.427 0.632 20 30 ECEDLO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)c(C)cc1=O)C[C@H](C)O2 ZINC001071178492 784673269 /nfs/dbraw/zinc/67/32/69/784673269.db2.gz QFKWZCHYCGWJKA-HNAYVOBHSA-N 1 2 343.427 0.632 20 30 ECEDLO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(=O)c(OC)co1)C[C@@H](C)O2 ZINC001071192694 784704748 /nfs/dbraw/zinc/70/47/48/784704748.db2.gz PXXJYJGJQJUHDP-ACJLOTCBSA-N 1 2 346.383 0.587 20 30 ECEDLO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(=O)c(OC)co1)C[C@@H](C)O2 ZINC001071192694 784704754 /nfs/dbraw/zinc/70/47/54/784704754.db2.gz PXXJYJGJQJUHDP-ACJLOTCBSA-N 1 2 346.383 0.587 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1nnc[nH]1)C[C@H](C)O2 ZINC001071231324 784794381 /nfs/dbraw/zinc/79/43/81/784794381.db2.gz OUIMDXYHSIVGON-WFASDCNBSA-N 1 2 339.827 0.792 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1nnc[nH]1)C[C@H](C)O2 ZINC001071231324 784794382 /nfs/dbraw/zinc/79/43/82/784794382.db2.gz OUIMDXYHSIVGON-WFASDCNBSA-N 1 2 339.827 0.792 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3ccc[nH]3)C2)C(=O)C1 ZINC001071254948 784847989 /nfs/dbraw/zinc/84/79/89/784847989.db2.gz BBHATQNZBQNHEV-OAHLLOKOSA-N 1 2 328.416 0.787 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3ccc[nH]3)C2)C(=O)C1 ZINC001071254948 784847997 /nfs/dbraw/zinc/84/79/97/784847997.db2.gz BBHATQNZBQNHEV-OAHLLOKOSA-N 1 2 328.416 0.787 20 30 ECEDLO C#CCCN1CCN([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C(=O)C1 ZINC001071274363 784912847 /nfs/dbraw/zinc/91/28/47/784912847.db2.gz XHETXVAQIVWZSG-INIZCTEOSA-N 1 2 343.431 0.111 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3cnnn3C)C2)c1 ZINC001071816196 785151439 /nfs/dbraw/zinc/15/14/39/785151439.db2.gz UVOCLJZUXMNFLJ-CJNGLKHVSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3cnnn3C)C2)c1 ZINC001071816196 785151447 /nfs/dbraw/zinc/15/14/47/785151447.db2.gz UVOCLJZUXMNFLJ-CJNGLKHVSA-N 1 2 338.415 0.974 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)CC[C@H]1C ZINC001071549080 785285387 /nfs/dbraw/zinc/28/53/87/785285387.db2.gz OCYQDXUJFWGEOW-OLZOCXBDSA-N 1 2 349.884 0.744 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)CC[C@H]1C ZINC001071549080 785285394 /nfs/dbraw/zinc/28/53/94/785285394.db2.gz OCYQDXUJFWGEOW-OLZOCXBDSA-N 1 2 349.884 0.744 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](C)C1 ZINC001072038129 785561124 /nfs/dbraw/zinc/56/11/24/785561124.db2.gz ATUOVCKZQFDBBH-HOCLYGCPSA-N 1 2 330.432 0.975 20 30 ECEDLO C[C@@H]1CC[C@H](NC(=O)c2nnn(C)n2)C[N@@H+]1CC#Cc1ccccc1 ZINC001071746078 785628493 /nfs/dbraw/zinc/62/84/93/785628493.db2.gz WLPSUBODUBWLTF-ZBFHGGJFSA-N 1 2 338.415 0.845 20 30 ECEDLO C[C@@H]1CC[C@H](NC(=O)c2nnn(C)n2)C[N@H+]1CC#Cc1ccccc1 ZINC001071746078 785628499 /nfs/dbraw/zinc/62/84/99/785628499.db2.gz WLPSUBODUBWLTF-ZBFHGGJFSA-N 1 2 338.415 0.845 20 30 ECEDLO C=CCCOCC(=O)N[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001072512580 786306653 /nfs/dbraw/zinc/30/66/53/786306653.db2.gz HYDVXMCHSZLHCZ-HOCLYGCPSA-N 1 2 348.447 0.909 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001073517870 786453113 /nfs/dbraw/zinc/45/31/13/786453113.db2.gz BBQXBFCHGGTICL-AWEZNQCLSA-N 1 2 334.420 0.898 20 30 ECEDLO N#CCN1CCO[C@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@H]21 ZINC001074245871 786502407 /nfs/dbraw/zinc/50/24/07/786502407.db2.gz VLYGNXRKFROSMS-CVEARBPZSA-N 1 2 343.431 0.587 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnn4ncccc34)C[C@@H]21 ZINC001074265998 786544394 /nfs/dbraw/zinc/54/43/94/786544394.db2.gz CZQJFXLOSUJLRH-IRXDYDNUSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnn4ncccc34)C[C@@H]21 ZINC001074265998 786544404 /nfs/dbraw/zinc/54/44/04/786544404.db2.gz CZQJFXLOSUJLRH-IRXDYDNUSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C[C@H]21 ZINC001074283357 786587356 /nfs/dbraw/zinc/58/73/56/786587356.db2.gz CFPILVXKXAJXJQ-CVEARBPZSA-N 1 2 329.400 0.324 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C[C@H]21 ZINC001074283357 786587360 /nfs/dbraw/zinc/58/73/60/786587360.db2.gz CFPILVXKXAJXJQ-CVEARBPZSA-N 1 2 329.400 0.324 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCc3cncnc3)C[C@H]21 ZINC001074296760 786621299 /nfs/dbraw/zinc/62/12/99/786621299.db2.gz ILNSSYBURLIYRV-SJORKVTESA-N 1 2 328.416 0.734 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCc3cncnc3)C[C@H]21 ZINC001074296760 786621304 /nfs/dbraw/zinc/62/13/04/786621304.db2.gz ILNSSYBURLIYRV-SJORKVTESA-N 1 2 328.416 0.734 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4nnnn4c3)C[C@@H]21 ZINC001074297839 786625140 /nfs/dbraw/zinc/62/51/40/786625140.db2.gz VGGCBSRXWKIFKE-LSDHHAIUSA-N 1 2 340.387 0.063 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4nnnn4c3)C[C@@H]21 ZINC001074297839 786625144 /nfs/dbraw/zinc/62/51/44/786625144.db2.gz VGGCBSRXWKIFKE-LSDHHAIUSA-N 1 2 340.387 0.063 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)nc[nH]c3=O)C[C@H]21 ZINC001074317177 786661042 /nfs/dbraw/zinc/66/10/42/786661042.db2.gz LHTGNOZQYJUYGY-ZIAGYGMSSA-N 1 2 332.404 0.982 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)nc[nH]c3=O)C[C@H]21 ZINC001074317177 786661049 /nfs/dbraw/zinc/66/10/49/786661049.db2.gz LHTGNOZQYJUYGY-ZIAGYGMSSA-N 1 2 332.404 0.982 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(=O)n3C)C[C@H]21 ZINC001074335927 786698852 /nfs/dbraw/zinc/69/88/52/786698852.db2.gz HEVCQPPVCMWZQE-HZPDHXFCSA-N 1 2 331.416 0.877 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(=O)n3C)C[C@H]21 ZINC001074335927 786698858 /nfs/dbraw/zinc/69/88/58/786698858.db2.gz HEVCQPPVCMWZQE-HZPDHXFCSA-N 1 2 331.416 0.877 20 30 ECEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)co3)C[C@H]21 ZINC001074339221 786704995 /nfs/dbraw/zinc/70/49/95/786704995.db2.gz RLFFJNHYQBXXJG-ZIAGYGMSSA-N 1 2 333.388 0.870 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)co3)C[C@H]21 ZINC001074339221 786705003 /nfs/dbraw/zinc/70/50/03/786705003.db2.gz RLFFJNHYQBXXJG-ZIAGYGMSSA-N 1 2 333.388 0.870 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3cc(Cl)cn3)C[C@@H]21 ZINC001074348177 786727030 /nfs/dbraw/zinc/72/70/30/786727030.db2.gz IPSHTKYFSCZQLE-GJZGRUSLSA-N 1 2 336.823 0.862 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3cc(Cl)cn3)C[C@@H]21 ZINC001074348177 786727042 /nfs/dbraw/zinc/72/70/42/786727042.db2.gz IPSHTKYFSCZQLE-GJZGRUSLSA-N 1 2 336.823 0.862 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)nn(C)c3OC)C[C@@H]21 ZINC001074348947 786729197 /nfs/dbraw/zinc/72/91/97/786729197.db2.gz UUSFKCWUUXGHNF-LSDHHAIUSA-N 1 2 346.431 0.676 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)nn(C)c3OC)C[C@@H]21 ZINC001074348947 786729200 /nfs/dbraw/zinc/72/92/00/786729200.db2.gz UUSFKCWUUXGHNF-LSDHHAIUSA-N 1 2 346.431 0.676 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCc3cn(C)nc3C)C[C@@H]21 ZINC001074351792 786734634 /nfs/dbraw/zinc/73/46/34/786734634.db2.gz UDQCELPJEUPXTL-ROUUACIJSA-N 1 2 344.459 0.986 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCc3cn(C)nc3C)C[C@@H]21 ZINC001074351792 786734642 /nfs/dbraw/zinc/73/46/42/786734642.db2.gz UDQCELPJEUPXTL-ROUUACIJSA-N 1 2 344.459 0.986 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(OC)nn3)C[C@@H]21 ZINC001074378061 786799609 /nfs/dbraw/zinc/79/96/09/786799609.db2.gz UPHSCHCCZXOMQV-GJZGRUSLSA-N 1 2 330.388 0.424 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(OC)nn3)C[C@@H]21 ZINC001074378061 786799613 /nfs/dbraw/zinc/79/96/13/786799613.db2.gz UPHSCHCCZXOMQV-GJZGRUSLSA-N 1 2 330.388 0.424 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]3OCC[N@@H+](CCCO)[C@H]3C2)nc1 ZINC001074384530 786819109 /nfs/dbraw/zinc/81/91/09/786819109.db2.gz IHGGOXMPZJZAAM-DLBZAZTESA-N 1 2 329.400 0.361 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]3OCC[N@H+](CCCO)[C@H]3C2)nc1 ZINC001074384530 786819117 /nfs/dbraw/zinc/81/91/17/786819117.db2.gz IHGGOXMPZJZAAM-DLBZAZTESA-N 1 2 329.400 0.361 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@H]21 ZINC001074408526 786890594 /nfs/dbraw/zinc/89/05/94/786890594.db2.gz XMRJWVOROVNUPD-HZPDHXFCSA-N 1 2 331.416 0.726 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@H]21 ZINC001074408526 786890599 /nfs/dbraw/zinc/89/05/99/786890599.db2.gz XMRJWVOROVNUPD-HZPDHXFCSA-N 1 2 331.416 0.726 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2CCCO[C@@H](CNC(=O)c3ncn[nH]3)C2)c1 ZINC001073824355 787276039 /nfs/dbraw/zinc/27/60/39/787276039.db2.gz RCYCVOYAYJRPSG-HNNXBMFYSA-N 1 2 340.387 0.697 20 30 ECEDLO N#Cc1cccc(C[N@H+]2CCCO[C@@H](CNC(=O)c3ncn[nH]3)C2)c1 ZINC001073824355 787276045 /nfs/dbraw/zinc/27/60/45/787276045.db2.gz RCYCVOYAYJRPSG-HNNXBMFYSA-N 1 2 340.387 0.697 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2CCCO[C@@H](CNC(=O)c3nc[nH]n3)C2)c1 ZINC001073824355 787276049 /nfs/dbraw/zinc/27/60/49/787276049.db2.gz RCYCVOYAYJRPSG-HNNXBMFYSA-N 1 2 340.387 0.697 20 30 ECEDLO N#Cc1cccc(C[N@H+]2CCCO[C@@H](CNC(=O)c3nc[nH]n3)C2)c1 ZINC001073824355 787276054 /nfs/dbraw/zinc/27/60/54/787276054.db2.gz RCYCVOYAYJRPSG-HNNXBMFYSA-N 1 2 340.387 0.697 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001073873768 787416367 /nfs/dbraw/zinc/41/63/67/787416367.db2.gz JGVXHNULFTYODL-UONOGXRCSA-N 1 2 343.855 0.957 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001073873768 787416373 /nfs/dbraw/zinc/41/63/73/787416373.db2.gz JGVXHNULFTYODL-UONOGXRCSA-N 1 2 343.855 0.957 20 30 ECEDLO C=C1CC(C)(C(=O)NCC2(O)CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001074632041 787454139 /nfs/dbraw/zinc/45/41/39/787454139.db2.gz RPBPYBRCRFCNFY-UHFFFAOYSA-N 1 2 346.431 0.709 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC(O)(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001074680163 787576894 /nfs/dbraw/zinc/57/68/94/787576894.db2.gz OUQWLDULRFEVSA-UONOGXRCSA-N 1 2 348.447 0.880 20 30 ECEDLO C=C(C)CCC(=O)NCC1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001074693179 787618585 /nfs/dbraw/zinc/61/85/85/787618585.db2.gz ZWHUVTNGGQEEII-UHFFFAOYSA-N 1 2 334.420 0.778 20 30 ECEDLO C=CCCCC(=O)N1CCC(O)(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001074698941 787631944 /nfs/dbraw/zinc/63/19/44/787631944.db2.gz MRTBCSQCTSVWGN-UHFFFAOYSA-N 1 2 348.447 0.789 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC001074024540 787709380 /nfs/dbraw/zinc/70/93/80/787709380.db2.gz FPRXSINBJRBBOL-GOEBONIOSA-N 1 2 346.431 0.735 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC001074024540 787709388 /nfs/dbraw/zinc/70/93/88/787709388.db2.gz FPRXSINBJRBBOL-GOEBONIOSA-N 1 2 346.431 0.735 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001074759316 787774982 /nfs/dbraw/zinc/77/49/82/787774982.db2.gz RLPDZZAUMRLBFZ-ZIAGYGMSSA-N 1 2 348.447 0.880 20 30 ECEDLO Cc1nnc(C[N@@H+]2CCC3(CN(C(=O)c4ccc(C#N)[nH]4)C3)C2)o1 ZINC001072634529 788475028 /nfs/dbraw/zinc/47/50/28/788475028.db2.gz ASPPVQYIVCZXFR-UHFFFAOYSA-N 1 2 326.360 0.926 20 30 ECEDLO Cc1nnc(C[N@H+]2CCC3(CN(C(=O)c4ccc(C#N)[nH]4)C3)C2)o1 ZINC001072634529 788475037 /nfs/dbraw/zinc/47/50/37/788475037.db2.gz ASPPVQYIVCZXFR-UHFFFAOYSA-N 1 2 326.360 0.926 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)CSCC#N ZINC001075046635 788794433 /nfs/dbraw/zinc/79/44/33/788794433.db2.gz XEHVSGWJBLUSEY-CHWSQXEVSA-N 1 2 335.433 0.636 20 30 ECEDLO CC1(NC(=O)Cn2cc[nH+]c2)CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001072952534 789157430 /nfs/dbraw/zinc/15/74/30/789157430.db2.gz QZFPZFPITOIGJR-UHFFFAOYSA-N 1 2 340.387 0.894 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1nncn1C)C2 ZINC001072994427 789245031 /nfs/dbraw/zinc/24/50/31/789245031.db2.gz AGTGSLXZKVPEKD-KGLIPLIRSA-N 1 2 331.420 0.441 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1nncn1C)C2 ZINC001072994427 789245037 /nfs/dbraw/zinc/24/50/37/789245037.db2.gz AGTGSLXZKVPEKD-KGLIPLIRSA-N 1 2 331.420 0.441 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@@H+](Cc2cn(C)nn2)C3)nc1 ZINC001073134682 789504511 /nfs/dbraw/zinc/50/45/11/789504511.db2.gz MSKPTMQLXHJXCU-UHFFFAOYSA-N 1 2 336.399 0.540 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+](Cc2cn(C)nn2)C3)nc1 ZINC001073134682 789504518 /nfs/dbraw/zinc/50/45/18/789504518.db2.gz MSKPTMQLXHJXCU-UHFFFAOYSA-N 1 2 336.399 0.540 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC1(C)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001073177531 789572732 /nfs/dbraw/zinc/57/27/32/789572732.db2.gz YDDNTMZQAXBHCE-AWEZNQCLSA-N 1 2 346.431 0.796 20 30 ECEDLO CC1(NC(=O)CSCC#N)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001073215196 789617120 /nfs/dbraw/zinc/61/71/20/789617120.db2.gz JPUULPIRBUGLDZ-UHFFFAOYSA-N 1 2 335.433 0.706 20 30 ECEDLO C[C@@H]1C[C@H](Nc2ccnc(C#N)n2)CN1C(=O)CCc1[nH+]ccn1C ZINC001069243771 789696576 /nfs/dbraw/zinc/69/65/76/789696576.db2.gz XYSCSBWDOAIXKT-OLZOCXBDSA-N 1 2 339.403 0.538 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC001073347030 789748617 /nfs/dbraw/zinc/74/86/17/789748617.db2.gz IGFMZHLOENBLEF-CQSZACIVSA-N 1 2 334.420 0.898 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCCN1c1ccnc(C#N)n1 ZINC001069375098 789782398 /nfs/dbraw/zinc/78/23/98/789782398.db2.gz DARWPRDWSLJZGT-TZMCWYRMSA-N 1 2 339.403 0.798 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCCN1c1cnc(C#N)cn1 ZINC001069375239 789782949 /nfs/dbraw/zinc/78/29/49/789782949.db2.gz GHDFIVIKVXQEQM-DOMZBBRYSA-N 1 2 339.403 0.798 20 30 ECEDLO C[C@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCCN1c1cnc(C#N)cn1 ZINC001069375241 789783169 /nfs/dbraw/zinc/78/31/69/789783169.db2.gz GHDFIVIKVXQEQM-SWLSCSKDSA-N 1 2 339.403 0.798 20 30 ECEDLO CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1Nc1cnc(C#N)cn1 ZINC001069574681 789911216 /nfs/dbraw/zinc/91/12/16/789911216.db2.gz RBMOHNHZEPGUNX-ZDUSSCGKSA-N 1 2 325.376 0.894 20 30 ECEDLO CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1Nc1cnc(C#N)cn1 ZINC001069583587 789918470 /nfs/dbraw/zinc/91/84/70/789918470.db2.gz HXFZLUABXIKLLQ-GFCCVEGCSA-N 1 2 325.376 0.963 20 30 ECEDLO CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC(Nc2ccnc(C#N)n2)C1 ZINC001069755411 790012291 /nfs/dbraw/zinc/01/22/91/790012291.db2.gz BSNJMOLGUXGZCN-UHFFFAOYSA-N 1 2 339.403 0.872 20 30 ECEDLO C=CCN1CCn2ncc(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)c2C1 ZINC001069864288 790119989 /nfs/dbraw/zinc/11/99/89/790119989.db2.gz HYLLLFSBZOJSTB-CQSZACIVSA-N 1 2 340.431 0.960 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CC(=O)N[C@@H](C)C3)c2C1 ZINC001069866047 790123592 /nfs/dbraw/zinc/12/35/92/790123592.db2.gz VMISFNVHCMFZNT-KBPBESRZSA-N 1 2 345.447 0.806 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CC(=O)N[C@@H](C)C3)c2C1 ZINC001069866047 790123596 /nfs/dbraw/zinc/12/35/96/790123596.db2.gz VMISFNVHCMFZNT-KBPBESRZSA-N 1 2 345.447 0.806 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3c[nH]c(C(N)=O)c3)c2C1 ZINC001069882904 790148446 /nfs/dbraw/zinc/14/84/46/790148446.db2.gz HSVSFQCNWROYIH-UHFFFAOYSA-N 1 2 342.403 0.632 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3c[nH]c(C(N)=O)c3)c2C1 ZINC001069882904 790148448 /nfs/dbraw/zinc/14/84/48/790148448.db2.gz HSVSFQCNWROYIH-UHFFFAOYSA-N 1 2 342.403 0.632 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc[nH]c2CC)[C@@H](n2ccnn2)C1 ZINC001069917402 790187012 /nfs/dbraw/zinc/18/70/12/790187012.db2.gz PXFBUJWQMUZWDT-CVEARBPZSA-N 1 2 326.404 0.847 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c2CC)[C@@H](n2ccnn2)C1 ZINC001069917402 790187013 /nfs/dbraw/zinc/18/70/13/790187013.db2.gz PXFBUJWQMUZWDT-CVEARBPZSA-N 1 2 326.404 0.847 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc3n(n2)CCCC3)[C@@H](n2ccnn2)C1 ZINC001069953474 790235293 /nfs/dbraw/zinc/23/52/93/790235293.db2.gz HHANHGBEKIWOPJ-CVEARBPZSA-N 1 2 341.419 0.652 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc3n(n2)CCCC3)[C@@H](n2ccnn2)C1 ZINC001069953474 790235298 /nfs/dbraw/zinc/23/52/98/790235298.db2.gz HHANHGBEKIWOPJ-CVEARBPZSA-N 1 2 341.419 0.652 20 30 ECEDLO C#CCN1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](n2ccnn2)C1 ZINC001069956823 790239256 /nfs/dbraw/zinc/23/92/56/790239256.db2.gz FQWDPPNRSKSABX-CABCVRRESA-N 1 2 341.419 0.193 20 30 ECEDLO CC(C)C#CC(=O)N[C@H]1COC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001068859133 791280346 /nfs/dbraw/zinc/28/03/46/791280346.db2.gz OGSWGZMHGBJJHV-CQSZACIVSA-N 1 2 344.415 0.108 20 30 ECEDLO CC(C)C#CC(=O)N1CC2(C1)C[C@@H](NC(=O)Cc1c[nH+]cn1C)CO2 ZINC001068936349 791458078 /nfs/dbraw/zinc/45/80/78/791458078.db2.gz YOGZCWYRDLLBCL-CQSZACIVSA-N 1 2 344.415 0.108 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1CC2(C1)C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)CO2 ZINC001069057416 791662574 /nfs/dbraw/zinc/66/25/74/791662574.db2.gz GCMWKQGMVITWEY-TZMCWYRMSA-N 1 2 348.403 0.029 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](Nc2ccnc(C#N)n2)C[C@H]1C ZINC001069129309 791727088 /nfs/dbraw/zinc/72/70/88/791727088.db2.gz HBACVMIKIFXPHA-ZYHUDNBSSA-N 1 2 325.376 0.446 20 30 ECEDLO N#Cc1ccc(NC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CCO2)nn1 ZINC001066686864 791988874 /nfs/dbraw/zinc/98/88/74/791988874.db2.gz BWUYKFRDOHRRRN-CQSZACIVSA-N 1 2 341.375 0.343 20 30 ECEDLO N#Cc1ccc(NC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CCO2)nn1 ZINC001066686864 791988880 /nfs/dbraw/zinc/98/88/80/791988880.db2.gz BWUYKFRDOHRRRN-CQSZACIVSA-N 1 2 341.375 0.343 20 30 ECEDLO N#Cc1cncc(N2CC[NH+]([C@H]3CCN(C(=O)C4CCC4)C3)CC2)n1 ZINC001066693859 792008775 /nfs/dbraw/zinc/00/87/75/792008775.db2.gz GOIIMJCTJYHGFX-INIZCTEOSA-N 1 2 340.431 0.871 20 30 ECEDLO CO[C@H](C)C(=O)N1CC[C@H]([NH+]2CCN(c3ncccc3C#N)CC2)C1 ZINC001066697732 792015148 /nfs/dbraw/zinc/01/51/48/792015148.db2.gz BNUMNDOYWKHAIF-ZBFHGGJFSA-N 1 2 343.431 0.711 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(c3cnc(F)cn3)CC2)C1 ZINC001066698588 792018587 /nfs/dbraw/zinc/01/85/87/792018587.db2.gz NCGSUXDMMXSXJL-QWHCGFSZSA-N 1 2 332.383 0.498 20 30 ECEDLO CC[C@@H](F)C(=O)N1CC[C@@H]([NH+]2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001066702498 792031825 /nfs/dbraw/zinc/03/18/25/792031825.db2.gz KETGUHKFBHBVNS-HUUCEWRRSA-N 1 2 346.410 0.819 20 30 ECEDLO CC1(C(=O)N2CC[C@@H]([NH+]3CCN(c4ccnc(C#N)n4)CC3)C2)CC1 ZINC001066709145 792036080 /nfs/dbraw/zinc/03/60/80/792036080.db2.gz PUFGRJXTWMQBBO-CQSZACIVSA-N 1 2 340.431 0.871 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCN(c2ccnc(C#N)n2)CC1 ZINC001066755198 792107547 /nfs/dbraw/zinc/10/75/47/792107547.db2.gz HYTYZEFYYTZAMZ-CYBMUJFWSA-N 1 2 339.403 0.800 20 30 ECEDLO N#Cc1ccc(N2CCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)nn1 ZINC001066758085 792113635 /nfs/dbraw/zinc/11/36/35/792113635.db2.gz FEXKQQKCLDURBV-LBPRGKRZSA-N 1 2 325.376 0.789 20 30 ECEDLO C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001067705329 792160688 /nfs/dbraw/zinc/16/06/88/792160688.db2.gz VZKPFKPPQRARRS-KBPBESRZSA-N 1 2 331.420 0.912 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C)c1ccc(C#N)nn1 ZINC001067768380 792256023 /nfs/dbraw/zinc/25/60/23/792256023.db2.gz VFHILLZSTYPPHX-CQSZACIVSA-N 1 2 339.403 0.752 20 30 ECEDLO C=CCOCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001067001211 792544296 /nfs/dbraw/zinc/54/42/96/792544296.db2.gz QBJTULFJCCYBLX-OAHLLOKOSA-N 1 2 348.447 0.955 20 30 ECEDLO CC1(C)CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001068116046 792698442 /nfs/dbraw/zinc/69/84/42/792698442.db2.gz YCCJWOZINWAUQZ-CYBMUJFWSA-N 1 2 325.376 0.576 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)CC1(C)C ZINC001068116852 792699537 /nfs/dbraw/zinc/69/95/37/792699537.db2.gz JJCQGOVCSRKULV-CYBMUJFWSA-N 1 2 339.403 0.655 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](Nc2ccnc(C#N)n2)[C@@H](C)C1 ZINC001067126317 792726232 /nfs/dbraw/zinc/72/62/32/792726232.db2.gz DEFKZKBXWFNNKW-GWCFXTLKSA-N 1 2 325.376 0.303 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1Nc1ccnc(C#N)n1 ZINC001067129141 792730979 /nfs/dbraw/zinc/73/09/79/792730979.db2.gz OMFCRERQEQAVTK-JSGCOSHPSA-N 1 2 339.403 0.395 20 30 ECEDLO Cc1cc(C#N)nc(N2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)C2)n1 ZINC001068140482 792736676 /nfs/dbraw/zinc/73/66/76/792736676.db2.gz YIRZPBXXSFPMJV-AWEZNQCLSA-N 1 2 339.403 0.954 20 30 ECEDLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1Nc1cnc(C#N)cn1 ZINC001067174718 792776979 /nfs/dbraw/zinc/77/69/79/792776979.db2.gz JPPHJWBCCCORGG-JSGCOSHPSA-N 1 2 325.376 0.894 20 30 ECEDLO N#Cc1nccc(N2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)[C@@H]3C2)n1 ZINC001068207286 792827499 /nfs/dbraw/zinc/82/74/99/792827499.db2.gz MKUDBYSRIRULLD-KSTCHIGDSA-N 1 2 349.398 0.673 20 30 ECEDLO N#Cc1nccc(N2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)[C@@H]3C2)n1 ZINC001068207286 792827515 /nfs/dbraw/zinc/82/75/15/792827515.db2.gz MKUDBYSRIRULLD-KSTCHIGDSA-N 1 2 349.398 0.673 20 30 ECEDLO C[C@@H](Nc1ccc(C#N)cn1)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001068236276 792894912 /nfs/dbraw/zinc/89/49/12/792894912.db2.gz GEZBCXLMPNQERP-OCCSQVGLSA-N 1 2 340.387 0.947 20 30 ECEDLO C[C@H](Nc1ncccc1C#N)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001068245857 792926929 /nfs/dbraw/zinc/92/69/29/792926929.db2.gz RASDPHDEZDMVDM-WFASDCNBSA-N 1 2 340.387 0.947 20 30 ECEDLO C[C@H](Nc1ccncc1C#N)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001068246047 792927040 /nfs/dbraw/zinc/92/70/40/792927040.db2.gz SKSBFTQRZOIVQQ-BLLLJJGKSA-N 1 2 340.387 0.369 20 30 ECEDLO C=CCCC(=O)N1CCOC2(CN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001068346659 793094008 /nfs/dbraw/zinc/09/40/08/793094008.db2.gz VGEHYFPWLDEULM-UHFFFAOYSA-N 1 2 346.431 0.759 20 30 ECEDLO C[C@H]1CN(c2ccnc(C#N)n2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067407254 793110072 /nfs/dbraw/zinc/11/00/72/793110072.db2.gz DGMDKEKFYFFNAA-NWDGAFQWSA-N 1 2 325.376 0.645 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C[C@H]1C ZINC001067407190 793110255 /nfs/dbraw/zinc/11/02/55/793110255.db2.gz CNFXTTVTNIFYLQ-DGCLKSJQSA-N 1 2 339.403 0.954 20 30 ECEDLO C#CCCCC(=O)N1CC2(C1)CN(C(=O)Cc1c[nH+]cn1C)CCO2 ZINC001068415901 793268689 /nfs/dbraw/zinc/26/86/89/793268689.db2.gz CGOSLZOMVABIQH-UHFFFAOYSA-N 1 2 344.415 0.206 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCOC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001068433755 793309007 /nfs/dbraw/zinc/30/90/07/793309007.db2.gz ZGCAYBYQQITANA-KBPBESRZSA-N 1 2 346.431 0.850 20 30 ECEDLO C=C(C)CCC(=O)N1CC2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)CCO2 ZINC001068442386 793321790 /nfs/dbraw/zinc/32/17/90/793321790.db2.gz RTGLBOTVAAGDAR-UHFFFAOYSA-N 1 2 332.404 0.748 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(CCC)C(=O)c2cnon2)C1 ZINC001267548155 837744164 /nfs/dbraw/zinc/74/41/64/837744164.db2.gz ZMPYEMUILIYLSB-OLZOCXBDSA-N 1 2 333.392 0.134 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(CCC)C(=O)c2cnon2)C1 ZINC001267548155 837744169 /nfs/dbraw/zinc/74/41/69/837744169.db2.gz ZMPYEMUILIYLSB-OLZOCXBDSA-N 1 2 333.392 0.134 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CCN(C)C(=O)CCC2CC2)CC1 ZINC001267573456 837814908 /nfs/dbraw/zinc/81/49/08/837814908.db2.gz GEOJZWYJXYSBNS-UHFFFAOYSA-N 1 2 334.464 0.002 20 30 ECEDLO COCC#CCN1CC[NH+](CCN(C)C(=O)c2ccccn2)CC1 ZINC001267574203 837820760 /nfs/dbraw/zinc/82/07/60/837820760.db2.gz XZXWAWFQDKSYSN-UHFFFAOYSA-N 1 2 330.432 0.421 20 30 ECEDLO COCC#CC[NH+]1CCN(CCN(C)C(=O)c2ccccn2)CC1 ZINC001267574203 837820774 /nfs/dbraw/zinc/82/07/74/837820774.db2.gz XZXWAWFQDKSYSN-UHFFFAOYSA-N 1 2 330.432 0.421 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@H]1OCCc2ccccc21 ZINC001267574881 837824745 /nfs/dbraw/zinc/82/47/45/837824745.db2.gz VOHNLOJDDKHLIO-SFHVURJKSA-N 1 2 342.443 0.900 20 30 ECEDLO Cc1nnc(CN2CC[NH+](CCNC(=O)C#CC(C)(C)C)CC2)[nH]1 ZINC001266283086 835613457 /nfs/dbraw/zinc/61/34/57/835613457.db2.gz DFIRQBOEQZZTOP-UHFFFAOYSA-N 1 2 332.452 0.396 20 30 ECEDLO N#CCN1CC[NH+](CCNC(=O)c2ncnc3sccc32)CC1 ZINC001266285503 835620098 /nfs/dbraw/zinc/62/00/98/835620098.db2.gz BPXGPOFHSKASOS-UHFFFAOYSA-N 1 2 330.417 0.562 20 30 ECEDLO CCn1cc(C(=O)NCC[NH+]2CCN(CC#N)CC2)c(C2CC2)n1 ZINC001266285928 835621754 /nfs/dbraw/zinc/62/17/54/835621754.db2.gz RWSARXUQOYDYLY-UHFFFAOYSA-N 1 2 330.436 0.651 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nc(C)n3ccccc23)C1 ZINC001266330054 835710688 /nfs/dbraw/zinc/71/06/88/835710688.db2.gz ASDWVDNNQMKHKY-CQSZACIVSA-N 1 2 339.399 0.196 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nc(C)n3ccccc23)C1 ZINC001266330054 835710691 /nfs/dbraw/zinc/71/06/91/835710691.db2.gz ASDWVDNNQMKHKY-CQSZACIVSA-N 1 2 339.399 0.196 20 30 ECEDLO COc1ccc(C(=O)NCC[N@H+](C)CC(=O)NCC#N)cc1C1CC1 ZINC001266342425 835728223 /nfs/dbraw/zinc/72/82/23/835728223.db2.gz OBJJGBRYBFLZCZ-UHFFFAOYSA-N 1 2 344.415 0.874 20 30 ECEDLO COc1ccc(C(=O)NCC[N@@H+](C)CC(=O)NCC#N)cc1C1CC1 ZINC001266342425 835728226 /nfs/dbraw/zinc/72/82/26/835728226.db2.gz OBJJGBRYBFLZCZ-UHFFFAOYSA-N 1 2 344.415 0.874 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCn2nc(C)cc2C)C1 ZINC001266345695 835735452 /nfs/dbraw/zinc/73/54/52/835735452.db2.gz XNRWHWDEDNRQFS-MRXNPFEDSA-N 1 2 345.447 0.220 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCn2nc(C)cc2C)C1 ZINC001266345695 835735467 /nfs/dbraw/zinc/73/54/67/835735467.db2.gz XNRWHWDEDNRQFS-MRXNPFEDSA-N 1 2 345.447 0.220 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N[C@@H](C)C3CC3)C2)nc1 ZINC001266352660 835752914 /nfs/dbraw/zinc/75/29/14/835752914.db2.gz FLVJOXAEMVKQIK-BBRMVZONSA-N 1 2 340.427 0.782 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N[C@@H](C)C3CC3)C2)nc1 ZINC001266352660 835752922 /nfs/dbraw/zinc/75/29/22/835752922.db2.gz FLVJOXAEMVKQIK-BBRMVZONSA-N 1 2 340.427 0.782 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cc2ccccc2oc1=O ZINC001266354883 835758063 /nfs/dbraw/zinc/75/80/63/835758063.db2.gz RSUYGQLDGBINMD-UHFFFAOYSA-N 1 2 343.383 0.757 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cc2ccccc2oc1=O ZINC001266354883 835758066 /nfs/dbraw/zinc/75/80/66/835758066.db2.gz RSUYGQLDGBINMD-UHFFFAOYSA-N 1 2 343.383 0.757 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001266355204 835759535 /nfs/dbraw/zinc/75/95/35/835759535.db2.gz CSRXFUKGXHRPLB-GOEBONIOSA-N 1 2 345.830 0.920 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001266355204 835759538 /nfs/dbraw/zinc/75/95/38/835759538.db2.gz CSRXFUKGXHRPLB-GOEBONIOSA-N 1 2 345.830 0.920 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cccc(OC)c2OC)C1 ZINC001266356604 835761440 /nfs/dbraw/zinc/76/14/40/835761440.db2.gz VEZKCPSHFARJLT-ZDUSSCGKSA-N 1 2 347.415 0.810 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccc(OC)c2OC)C1 ZINC001266356604 835761449 /nfs/dbraw/zinc/76/14/49/835761449.db2.gz VEZKCPSHFARJLT-ZDUSSCGKSA-N 1 2 347.415 0.810 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1n[nH]c2c1CCCCC2 ZINC001266359960 835769163 /nfs/dbraw/zinc/76/91/63/835769163.db2.gz LXXPINSISROLND-UHFFFAOYSA-N 1 2 331.420 0.090 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1n[nH]c2c1CCCCC2 ZINC001266359960 835769172 /nfs/dbraw/zinc/76/91/72/835769172.db2.gz LXXPINSISROLND-UHFFFAOYSA-N 1 2 331.420 0.090 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2csc(CC(C)C)n2)C1 ZINC001266364572 835775688 /nfs/dbraw/zinc/77/56/88/835775688.db2.gz YJBVYLXWSWIXLJ-ZDUSSCGKSA-N 1 2 348.472 0.895 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2csc(CC(C)C)n2)C1 ZINC001266364572 835775697 /nfs/dbraw/zinc/77/56/97/835775697.db2.gz YJBVYLXWSWIXLJ-ZDUSSCGKSA-N 1 2 348.472 0.895 20 30 ECEDLO C=C(C)CCC(=O)N[C@@H]1CC12CC[NH+](Cc1nc(=O)n(C)[nH]1)CC2 ZINC001266371536 835785169 /nfs/dbraw/zinc/78/51/69/835785169.db2.gz ZTLZOEOKSQPTSR-CYBMUJFWSA-N 1 2 333.436 0.935 20 30 ECEDLO CCCN(C(=O)Cc1cc[nH]n1)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC001266384533 835795203 /nfs/dbraw/zinc/79/52/03/835795203.db2.gz MAWPXHHUZUGDRB-UHFFFAOYSA-N 1 2 346.435 0.295 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCC[N@H+]1Cc1cncc(OC)n1 ZINC001266461674 835863249 /nfs/dbraw/zinc/86/32/49/835863249.db2.gz UEIKFBYCIUVVGK-WMLDXEAASA-N 1 2 334.420 0.893 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cncc(OC)n1 ZINC001266461674 835863251 /nfs/dbraw/zinc/86/32/51/835863251.db2.gz UEIKFBYCIUVVGK-WMLDXEAASA-N 1 2 334.420 0.893 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc(F)c1F ZINC001266478003 835879784 /nfs/dbraw/zinc/87/97/84/835879784.db2.gz YRDOHXGYOIKFTG-LBPRGKRZSA-N 1 2 335.354 0.908 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(F)c1F ZINC001266478003 835879786 /nfs/dbraw/zinc/87/97/86/835879786.db2.gz YRDOHXGYOIKFTG-LBPRGKRZSA-N 1 2 335.354 0.908 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnc(C2CC2)n1 ZINC001266483037 835882518 /nfs/dbraw/zinc/88/25/18/835882518.db2.gz MTHVFXSGZXKKDY-CQSZACIVSA-N 1 2 341.415 0.298 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccnc(C2CC2)n1 ZINC001266483037 835882521 /nfs/dbraw/zinc/88/25/21/835882521.db2.gz MTHVFXSGZXKKDY-CQSZACIVSA-N 1 2 341.415 0.298 20 30 ECEDLO C=CCOCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnnn1C1CC1 ZINC001266645884 836080621 /nfs/dbraw/zinc/08/06/21/836080621.db2.gz MURNZVRNOBMJMK-LQDVMPOASA-N 1 2 346.435 0.822 20 30 ECEDLO C=CCOCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnnn1C1CC1 ZINC001266645884 836080629 /nfs/dbraw/zinc/08/06/29/836080629.db2.gz MURNZVRNOBMJMK-LQDVMPOASA-N 1 2 346.435 0.822 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@@H]2C[N@H+](Cc3nnc(C)[nH]3)CC[C@@H]21 ZINC001266658875 836094746 /nfs/dbraw/zinc/09/47/46/836094746.db2.gz JMLKWJYAQOZHPI-CVEARBPZSA-N 1 2 345.447 0.966 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@@H]2C[N@@H+](Cc3nnc(C)[nH]3)CC[C@@H]21 ZINC001266658875 836094755 /nfs/dbraw/zinc/09/47/55/836094755.db2.gz JMLKWJYAQOZHPI-CVEARBPZSA-N 1 2 345.447 0.966 20 30 ECEDLO N#Cc1cnc(N2CCO[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)c(F)c1 ZINC001104349911 836191574 /nfs/dbraw/zinc/19/15/74/836191574.db2.gz MVROYGKOSHZQMN-CYBMUJFWSA-N 1 2 344.350 0.380 20 30 ECEDLO CC(C)C#CC(=O)NC[C@H]1CCC[N@H+](Cc2nnc3n2CCOC3)C1 ZINC001266749901 836238549 /nfs/dbraw/zinc/23/85/49/836238549.db2.gz OEIXZLYWMSSHJQ-OAHLLOKOSA-N 1 2 345.447 0.796 20 30 ECEDLO CC(C)C#CC(=O)NC[C@H]1CCC[N@@H+](Cc2nnc3n2CCOC3)C1 ZINC001266749901 836238558 /nfs/dbraw/zinc/23/85/58/836238558.db2.gz OEIXZLYWMSSHJQ-OAHLLOKOSA-N 1 2 345.447 0.796 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)F ZINC001266825578 836351511 /nfs/dbraw/zinc/35/15/11/836351511.db2.gz GWELQHDIBCNVNG-LBPRGKRZSA-N 1 2 342.415 0.717 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)F ZINC001266825578 836351524 /nfs/dbraw/zinc/35/15/24/836351524.db2.gz GWELQHDIBCNVNG-LBPRGKRZSA-N 1 2 342.415 0.717 20 30 ECEDLO C[C@H]1CN(C(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)C#CC2CC2)CCO1 ZINC001266841911 836367136 /nfs/dbraw/zinc/36/71/36/836367136.db2.gz FBLSJJPITQABLA-DOTOQJQBSA-N 1 2 347.459 0.618 20 30 ECEDLO C[C@H]1CN(C(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)C#CC2CC2)CCO1 ZINC001266841911 836367144 /nfs/dbraw/zinc/36/71/44/836367144.db2.gz FBLSJJPITQABLA-DOTOQJQBSA-N 1 2 347.459 0.618 20 30 ECEDLO C#CCCCCC(=O)N1CC[C@H]([NH2+]Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001267008551 836607719 /nfs/dbraw/zinc/60/77/19/836607719.db2.gz UODSKKKDWGMFKI-AWEZNQCLSA-N 1 2 341.415 0.907 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1nonc1C ZINC001279563696 836686987 /nfs/dbraw/zinc/68/69/87/836686987.db2.gz AHTODPFAUOYAQM-JKSUJKDBSA-N 1 2 332.404 0.983 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1nonc1C ZINC001279563696 836686993 /nfs/dbraw/zinc/68/69/93/836686993.db2.gz AHTODPFAUOYAQM-JKSUJKDBSA-N 1 2 332.404 0.983 20 30 ECEDLO C[C@@H]1C[C@H]1C(=O)NCC[N@H+](C)CC(=O)NCC#Cc1ccccc1 ZINC001267183690 836936980 /nfs/dbraw/zinc/93/69/80/836936980.db2.gz YEUZUZLMSHJRTC-NVXWUHKLSA-N 1 2 327.428 0.858 20 30 ECEDLO C[C@@H]1C[C@H]1C(=O)NCC[N@@H+](C)CC(=O)NCC#Cc1ccccc1 ZINC001267183690 836936985 /nfs/dbraw/zinc/93/69/85/836936985.db2.gz YEUZUZLMSHJRTC-NVXWUHKLSA-N 1 2 327.428 0.858 20 30 ECEDLO C[C@H]1C[C@H]1C(=O)NCC[N@H+](C)CC(=O)NCC#Cc1ccccc1 ZINC001267183689 836937203 /nfs/dbraw/zinc/93/72/03/836937203.db2.gz YEUZUZLMSHJRTC-DOTOQJQBSA-N 1 2 327.428 0.858 20 30 ECEDLO C[C@H]1C[C@H]1C(=O)NCC[N@@H+](C)CC(=O)NCC#Cc1ccccc1 ZINC001267183689 836937216 /nfs/dbraw/zinc/93/72/16/836937216.db2.gz YEUZUZLMSHJRTC-DOTOQJQBSA-N 1 2 327.428 0.858 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)Cc1c[nH]c2cnccc12 ZINC001267214038 837003708 /nfs/dbraw/zinc/00/37/08/837003708.db2.gz ZDXBMVFGAOKKGD-UHFFFAOYSA-N 1 2 329.404 0.456 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)Cc1c[nH]c2cnccc12 ZINC001267214038 837003718 /nfs/dbraw/zinc/00/37/18/837003718.db2.gz ZDXBMVFGAOKKGD-UHFFFAOYSA-N 1 2 329.404 0.456 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C[C@H]1CCc2ccccc21 ZINC001267223201 837018464 /nfs/dbraw/zinc/01/84/64/837018464.db2.gz DUIADGMYRFWHBX-MRXNPFEDSA-N 1 2 327.428 0.904 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CCc2ccccc21 ZINC001267223201 837018473 /nfs/dbraw/zinc/01/84/73/837018473.db2.gz DUIADGMYRFWHBX-MRXNPFEDSA-N 1 2 327.428 0.904 20 30 ECEDLO C=CCNC(=O)C[N@H+](CC)CCNC(=O)C(=O)Nc1ccccc1 ZINC001267245681 837059563 /nfs/dbraw/zinc/05/95/63/837059563.db2.gz QRECQQXTHHHWBT-UHFFFAOYSA-N 1 2 332.404 0.365 20 30 ECEDLO C=CCNC(=O)C[N@@H+](CC)CCNC(=O)C(=O)Nc1ccccc1 ZINC001267245681 837059572 /nfs/dbraw/zinc/05/95/72/837059572.db2.gz QRECQQXTHHHWBT-UHFFFAOYSA-N 1 2 332.404 0.365 20 30 ECEDLO CCCn1ncc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NCC#N)c1C ZINC001267279628 837126773 /nfs/dbraw/zinc/12/67/73/837126773.db2.gz IMZWJKOQXZFVQO-CQSZACIVSA-N 1 2 346.435 0.436 20 30 ECEDLO CCCn1ncc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NCC#N)c1C ZINC001267279628 837126781 /nfs/dbraw/zinc/12/67/81/837126781.db2.gz IMZWJKOQXZFVQO-CQSZACIVSA-N 1 2 346.435 0.436 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)Cc1cc(C2CC2)no1 ZINC001267607355 837950750 /nfs/dbraw/zinc/95/07/50/837950750.db2.gz GBMSDYUVYHDIBX-UHFFFAOYSA-N 1 2 331.420 0.694 20 30 ECEDLO CC(C)CN1C[C@H](C(=O)N(C)CC[NH+]2CCN(CC#N)CC2)CC1=O ZINC001267607869 837952672 /nfs/dbraw/zinc/95/26/72/837952672.db2.gz YALOASJOUDORST-MRXNPFEDSA-N 1 2 349.479 0.090 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(CCN(C)C(=O)[C@@H](F)CC)CC1 ZINC001267609079 837965173 /nfs/dbraw/zinc/96/51/73/837965173.db2.gz OAATXEYDBWRROA-CABCVRRESA-N 1 2 342.459 0.501 20 30 ECEDLO COCC#CCN1CC[NH+](CCN(C)C(=O)c2nc(C)c[nH]2)CC1 ZINC001267612219 837979804 /nfs/dbraw/zinc/97/98/04/837979804.db2.gz BJPKPMCZKHQXPR-UHFFFAOYSA-N 1 2 333.436 0.058 20 30 ECEDLO COCC#CC[NH+]1CCN(CCN(C)C(=O)c2nc(C)c[nH]2)CC1 ZINC001267612219 837979809 /nfs/dbraw/zinc/97/98/09/837979809.db2.gz BJPKPMCZKHQXPR-UHFFFAOYSA-N 1 2 333.436 0.058 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cnn(C)c2CC)C1 ZINC001267615475 837995808 /nfs/dbraw/zinc/99/58/08/837995808.db2.gz AOGIPAQADNDBBW-UONOGXRCSA-N 1 2 347.463 0.867 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cnn(C)c2CC)C1 ZINC001267615475 837995818 /nfs/dbraw/zinc/99/58/18/837995818.db2.gz AOGIPAQADNDBBW-UONOGXRCSA-N 1 2 347.463 0.867 20 30 ECEDLO C#CCN1CC[NH+](CCN(C)C(=O)c2ccnc(NC(C)=O)c2)CC1 ZINC001267618455 838048438 /nfs/dbraw/zinc/04/84/38/838048438.db2.gz OOAWXFFNSNHYAF-UHFFFAOYSA-N 1 2 343.431 0.363 20 30 ECEDLO C=CCOCC(=O)NCC1C[NH+](CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001267679406 838236963 /nfs/dbraw/zinc/23/69/63/838236963.db2.gz PVFAQDYXDQTKHI-ZDUSSCGKSA-N 1 2 330.450 0.062 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)c2ccsc2COC)C1 ZINC001267685195 838248713 /nfs/dbraw/zinc/24/87/13/838248713.db2.gz AQNLRALVEGHLPH-UHFFFAOYSA-N 1 2 335.429 0.306 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2cccnc2OC(C)C)C1 ZINC001267700799 838298292 /nfs/dbraw/zinc/29/82/92/838298292.db2.gz UQYUACMRHGYPSM-UHFFFAOYSA-N 1 2 346.431 0.833 20 30 ECEDLO CNC(=O)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)CC1 ZINC001267713880 838338130 /nfs/dbraw/zinc/33/81/30/838338130.db2.gz VOSTYELJWKXMEO-HOTGVXAUSA-N 1 2 338.411 0.870 20 30 ECEDLO CNC(=O)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)CC1 ZINC001267713880 838338137 /nfs/dbraw/zinc/33/81/37/838338137.db2.gz VOSTYELJWKXMEO-HOTGVXAUSA-N 1 2 338.411 0.870 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccccc2)C1 ZINC001267724102 838384460 /nfs/dbraw/zinc/38/44/60/838384460.db2.gz PRWPWRZCHWRQHQ-INIZCTEOSA-N 1 2 329.400 0.856 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2)C1 ZINC001267724102 838384465 /nfs/dbraw/zinc/38/44/65/838384465.db2.gz PRWPWRZCHWRQHQ-INIZCTEOSA-N 1 2 329.400 0.856 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](CCCS(=O)(=O)C(C)C)C1 ZINC001267724624 838388273 /nfs/dbraw/zinc/38/82/73/838388273.db2.gz YGAPTXIWOLIGBQ-GJZGRUSLSA-N 1 2 344.477 0.429 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](CCCS(=O)(=O)C(C)C)C1 ZINC001267724624 838388277 /nfs/dbraw/zinc/38/82/77/838388277.db2.gz YGAPTXIWOLIGBQ-GJZGRUSLSA-N 1 2 344.477 0.429 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H](C)c2c(C)noc2C)C1 ZINC001267725564 838394226 /nfs/dbraw/zinc/39/42/26/838394226.db2.gz RQKYHKMWOFITLX-DOMZBBRYSA-N 1 2 346.431 0.725 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)c2c(C)noc2C)C1 ZINC001267725564 838394236 /nfs/dbraw/zinc/39/42/36/838394236.db2.gz RQKYHKMWOFITLX-DOMZBBRYSA-N 1 2 346.431 0.725 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccc(OC)nc2)C1 ZINC001267726846 838406645 /nfs/dbraw/zinc/40/66/45/838406645.db2.gz VWGFZHCOVWKVHR-OCCSQVGLSA-N 1 2 330.388 0.032 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2ccc(OC)nc2)C1 ZINC001267726846 838406649 /nfs/dbraw/zinc/40/66/49/838406649.db2.gz VWGFZHCOVWKVHR-OCCSQVGLSA-N 1 2 330.388 0.032 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001267727592 838408397 /nfs/dbraw/zinc/40/83/97/838408397.db2.gz JGJBJEZUNOCKBL-SUMWQHHRSA-N 1 2 334.420 0.545 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001267727592 838408405 /nfs/dbraw/zinc/40/84/05/838408405.db2.gz JGJBJEZUNOCKBL-SUMWQHHRSA-N 1 2 334.420 0.545 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)COc2cccc(C)c2)C1 ZINC001267734709 838429079 /nfs/dbraw/zinc/42/90/79/838429079.db2.gz VLVNOSGSRAGAHJ-HNNXBMFYSA-N 1 2 331.416 0.867 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)COc2cccc(C)c2)C1 ZINC001267734709 838429083 /nfs/dbraw/zinc/42/90/83/838429083.db2.gz VLVNOSGSRAGAHJ-HNNXBMFYSA-N 1 2 331.416 0.867 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccnc3ccncc32)C1 ZINC001267746209 838451574 /nfs/dbraw/zinc/45/15/74/838451574.db2.gz DFHAIOVBFBLBHJ-CYBMUJFWSA-N 1 2 339.399 0.736 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccnc3ccncc32)C1 ZINC001267746209 838451582 /nfs/dbraw/zinc/45/15/82/838451582.db2.gz DFHAIOVBFBLBHJ-CYBMUJFWSA-N 1 2 339.399 0.736 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N[C@H](C)CC)C2)c1 ZINC001267749785 838467838 /nfs/dbraw/zinc/46/78/38/838467838.db2.gz TUSRUIJQIGOQEL-CZUORRHYSA-N 1 2 328.416 0.782 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N[C@H](C)CC)C2)c1 ZINC001267749785 838467843 /nfs/dbraw/zinc/46/78/43/838467843.db2.gz TUSRUIJQIGOQEL-CZUORRHYSA-N 1 2 328.416 0.782 20 30 ECEDLO CN(C(=O)c1ccn(C(C)(C)C)n1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267761835 838490577 /nfs/dbraw/zinc/49/05/77/838490577.db2.gz APPOZDMCAJMEGE-ZDUSSCGKSA-N 1 2 346.435 0.424 20 30 ECEDLO CN(C(=O)c1ccn(C(C)(C)C)n1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267761835 838490582 /nfs/dbraw/zinc/49/05/82/838490582.db2.gz APPOZDMCAJMEGE-ZDUSSCGKSA-N 1 2 346.435 0.424 20 30 ECEDLO CN(C(=O)c1ccnc(C2CC2)c1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267768923 838511775 /nfs/dbraw/zinc/51/17/75/838511775.db2.gz ROTSQDGDLGRHOZ-OAHLLOKOSA-N 1 2 341.415 0.745 20 30 ECEDLO CN(C(=O)c1ccnc(C2CC2)c1)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267768923 838511778 /nfs/dbraw/zinc/51/17/78/838511778.db2.gz ROTSQDGDLGRHOZ-OAHLLOKOSA-N 1 2 341.415 0.745 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2cnc3ccccn32)C1 ZINC001267770155 838518385 /nfs/dbraw/zinc/51/83/85/838518385.db2.gz ZNGJCIZGAWYSNY-AWEZNQCLSA-N 1 2 339.399 0.230 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnc3ccccn32)C1 ZINC001267770155 838518389 /nfs/dbraw/zinc/51/83/89/838518389.db2.gz ZNGJCIZGAWYSNY-AWEZNQCLSA-N 1 2 339.399 0.230 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C3CC3)no2)C1 ZINC001267773375 838532559 /nfs/dbraw/zinc/53/25/59/838532559.db2.gz MMXAPEKSGWWUKX-CYBMUJFWSA-N 1 2 330.388 0.448 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C3CC3)no2)C1 ZINC001267773375 838532569 /nfs/dbraw/zinc/53/25/69/838532569.db2.gz MMXAPEKSGWWUKX-CYBMUJFWSA-N 1 2 330.388 0.448 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C(C)C)C1 ZINC001267774615 838537425 /nfs/dbraw/zinc/53/74/25/838537425.db2.gz YAXIRDCILJARCF-KBPBESRZSA-N 1 2 338.452 0.823 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C(C)C)C1 ZINC001267774615 838537430 /nfs/dbraw/zinc/53/74/30/838537430.db2.gz YAXIRDCILJARCF-KBPBESRZSA-N 1 2 338.452 0.823 20 30 ECEDLO CN(C(=O)c1ncc2n1CCCC2)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267777292 838543791 /nfs/dbraw/zinc/54/37/91/838543791.db2.gz MNKQGVDLOFOFLS-AWEZNQCLSA-N 1 2 344.419 0.005 20 30 ECEDLO CN(C(=O)c1ncc2n1CCCC2)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267777292 838543794 /nfs/dbraw/zinc/54/37/94/838543794.db2.gz MNKQGVDLOFOFLS-AWEZNQCLSA-N 1 2 344.419 0.005 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2nn(CC)nc2C)C1 ZINC001267778970 838546983 /nfs/dbraw/zinc/54/69/83/838546983.db2.gz KZFMLVKOKHQBKY-CYBMUJFWSA-N 1 2 334.424 0.055 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2nn(CC)nc2C)C1 ZINC001267778970 838546986 /nfs/dbraw/zinc/54/69/86/838546986.db2.gz KZFMLVKOKHQBKY-CYBMUJFWSA-N 1 2 334.424 0.055 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cncnc2C)C1 ZINC001267782853 838558188 /nfs/dbraw/zinc/55/81/88/838558188.db2.gz YTCCMIKSXZCHLU-CQSZACIVSA-N 1 2 329.404 0.071 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cncnc2C)C1 ZINC001267782853 838558191 /nfs/dbraw/zinc/55/81/91/838558191.db2.gz YTCCMIKSXZCHLU-CQSZACIVSA-N 1 2 329.404 0.071 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)c2ncc(OC)cn2)C1 ZINC001267788253 838568169 /nfs/dbraw/zinc/56/81/69/838568169.db2.gz TYVATQXBMCIBAA-ZDUSSCGKSA-N 1 2 347.419 0.324 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ncc(OC)cn2)C1 ZINC001267788253 838568174 /nfs/dbraw/zinc/56/81/74/838568174.db2.gz TYVATQXBMCIBAA-ZDUSSCGKSA-N 1 2 347.419 0.324 20 30 ECEDLO CCN(C(=O)CCCn1cccc1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267794937 838574687 /nfs/dbraw/zinc/57/46/87/838574687.db2.gz SRSXEFIKOCNMJP-INIZCTEOSA-N 1 2 345.447 0.831 20 30 ECEDLO CCN(C(=O)CCCn1cccc1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267794937 838574695 /nfs/dbraw/zinc/57/46/95/838574695.db2.gz SRSXEFIKOCNMJP-INIZCTEOSA-N 1 2 345.447 0.831 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001267949165 838841561 /nfs/dbraw/zinc/84/15/61/838841561.db2.gz ATOFHQRAEAWXPG-IXDOHACOSA-N 1 2 349.475 0.932 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001267949165 838841574 /nfs/dbraw/zinc/84/15/74/838841574.db2.gz ATOFHQRAEAWXPG-IXDOHACOSA-N 1 2 349.475 0.932 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cc2sc(C)nc2C)C1 ZINC001267949692 838845200 /nfs/dbraw/zinc/84/52/00/838845200.db2.gz PQPLHJLWZYYYPH-CQSZACIVSA-N 1 2 348.472 0.632 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cc2sc(C)nc2C)C1 ZINC001267949692 838845207 /nfs/dbraw/zinc/84/52/07/838845207.db2.gz PQPLHJLWZYYYPH-CQSZACIVSA-N 1 2 348.472 0.632 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cccnc2OC)C1 ZINC001267962797 838875219 /nfs/dbraw/zinc/87/52/19/838875219.db2.gz UZYXOUIWFTVNEF-ZIAGYGMSSA-N 1 2 344.415 0.422 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cccnc2OC)C1 ZINC001267962797 838875226 /nfs/dbraw/zinc/87/52/26/838875226.db2.gz UZYXOUIWFTVNEF-ZIAGYGMSSA-N 1 2 344.415 0.422 20 30 ECEDLO C=CCOCC[N@@H+]1CCO[C@H](CNC(=O)C[C@H]2CCCCO2)C1 ZINC001268021162 838996356 /nfs/dbraw/zinc/99/63/56/838996356.db2.gz PNAKTINPUXDXKX-HZPDHXFCSA-N 1 2 326.437 0.965 20 30 ECEDLO C=CCOCC[N@H+]1CCO[C@H](CNC(=O)C[C@H]2CCCCO2)C1 ZINC001268021162 838996367 /nfs/dbraw/zinc/99/63/67/838996367.db2.gz PNAKTINPUXDXKX-HZPDHXFCSA-N 1 2 326.437 0.965 20 30 ECEDLO CC(C)(C)C#CC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)CCO1 ZINC001268021677 838997950 /nfs/dbraw/zinc/99/79/50/838997950.db2.gz IVXNVTKPORQELI-HZPDHXFCSA-N 1 2 348.447 0.111 20 30 ECEDLO CC(C)(C)C#CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)CCO1 ZINC001268021677 838997965 /nfs/dbraw/zinc/99/79/65/838997965.db2.gz IVXNVTKPORQELI-HZPDHXFCSA-N 1 2 348.447 0.111 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1C[N@H+](CCc2cnn(CC)c2)CCO1 ZINC001268022552 839001146 /nfs/dbraw/zinc/00/11/46/839001146.db2.gz UNDHBQIZGHJAMU-RDJZCZTQSA-N 1 2 348.447 0.301 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1C[N@@H+](CCc2cnn(CC)c2)CCO1 ZINC001268022552 839001158 /nfs/dbraw/zinc/00/11/58/839001158.db2.gz UNDHBQIZGHJAMU-RDJZCZTQSA-N 1 2 348.447 0.301 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)COCc2ccnc(OC)c2)C1 ZINC001268025140 839019082 /nfs/dbraw/zinc/01/90/82/839019082.db2.gz NVKONIAWNGXNKP-MRXNPFEDSA-N 1 2 349.431 1.000 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)COCc2ccnc(OC)c2)C1 ZINC001268025140 839019087 /nfs/dbraw/zinc/01/90/87/839019087.db2.gz NVKONIAWNGXNKP-MRXNPFEDSA-N 1 2 349.431 1.000 20 30 ECEDLO N#CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)CC[C@H]1CCCO1)CC2 ZINC001268041597 839179875 /nfs/dbraw/zinc/17/98/75/839179875.db2.gz AXEGZBBOXBOJKM-OAHLLOKOSA-N 1 2 348.447 0.510 20 30 ECEDLO C[C@](O)(CNC(=O)c1ncc(C#N)cc1Cl)C[NH+]1CCOCC1 ZINC000428026328 210238307 /nfs/dbraw/zinc/23/83/07/210238307.db2.gz ZHFCXRQGOJCLAP-HNNXBMFYSA-N 1 2 338.795 0.420 20 30 ECEDLO N#Cc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427063269 210178549 /nfs/dbraw/zinc/17/85/49/210178549.db2.gz WTFYTCIDVROSPY-LBPRGKRZSA-N 1 2 327.319 0.964 20 30 ECEDLO N#Cc1ccc(C2(C(=O)N[C@@H](CO)C[NH+]3CCOCC3)CC2)cc1 ZINC000425295053 210035900 /nfs/dbraw/zinc/03/59/00/210035900.db2.gz OIWRCZZTCKEQOW-MRXNPFEDSA-N 1 2 329.400 0.399 20 30 ECEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000298186747 202261672 /nfs/dbraw/zinc/26/16/72/202261672.db2.gz FADGYYNAUMFZIN-INIZCTEOSA-N 1 2 345.443 0.726 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1 ZINC000264168005 201210022 /nfs/dbraw/zinc/21/00/22/201210022.db2.gz LEUPEEROWAUAAU-KRWDZBQOSA-N 1 2 341.411 0.274 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1 ZINC000264168005 201210026 /nfs/dbraw/zinc/21/00/26/201210026.db2.gz LEUPEEROWAUAAU-KRWDZBQOSA-N 1 2 341.411 0.274 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000264226988 201210649 /nfs/dbraw/zinc/21/06/49/201210649.db2.gz ZPFKIVYLJPBNNY-UHFFFAOYSA-N 1 2 344.371 0.492 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000264226988 201210654 /nfs/dbraw/zinc/21/06/54/201210654.db2.gz ZPFKIVYLJPBNNY-UHFFFAOYSA-N 1 2 344.371 0.492 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[nH]2)CC1 ZINC000266866213 201221790 /nfs/dbraw/zinc/22/17/90/201221790.db2.gz WGGYJDKLHHATFB-UHFFFAOYSA-N 1 2 341.371 0.526 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(CNS(C)(=O)=O)o2)CC1 ZINC000267830550 201224908 /nfs/dbraw/zinc/22/49/08/201224908.db2.gz CRPFSDCZHUOUKS-UHFFFAOYSA-N 1 2 339.417 0.110 20 30 ECEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1 ZINC000276866699 201298707 /nfs/dbraw/zinc/29/87/07/201298707.db2.gz XIXSNLRIJBHRCN-UHFFFAOYSA-N 1 2 339.417 0.449 20 30 ECEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1 ZINC000276866699 201298711 /nfs/dbraw/zinc/29/87/11/201298711.db2.gz XIXSNLRIJBHRCN-UHFFFAOYSA-N 1 2 339.417 0.449 20 30 ECEDLO C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000104938643 204128077 /nfs/dbraw/zinc/12/80/77/204128077.db2.gz XWLWKLAAHRCCGR-KGLIPLIRSA-N 1 2 344.415 0.513 20 30 ECEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000267634823 251210811 /nfs/dbraw/zinc/21/08/11/251210811.db2.gz GHHZDZKCJSLSPV-GDBMZVCRSA-N 1 2 347.415 0.477 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)/C=C/c1ccc(C#N)cc1 ZINC000267642508 251218336 /nfs/dbraw/zinc/21/83/36/251218336.db2.gz HMILKTSLRBOIDK-LXXRFIIISA-N 1 2 329.400 0.723 20 30 ECEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@H]1CCCS(=O)(=O)C1 ZINC000329773979 254617571 /nfs/dbraw/zinc/61/75/71/254617571.db2.gz IJADORSOTRZZJS-RYUDHWBXSA-N 1 2 326.422 0.841 20 30 ECEDLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)N(CC)C[C@@H](C)C#N)CC1 ZINC000330404105 254635815 /nfs/dbraw/zinc/63/58/15/254635815.db2.gz VRWNRMTUYRGIPX-UONOGXRCSA-N 1 2 332.470 0.101 20 30 ECEDLO C=C(C)CN(C)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000350154582 254706749 /nfs/dbraw/zinc/70/67/49/254706749.db2.gz ICOOTIDIQVMBBL-UHFFFAOYSA-N 1 2 335.408 0.188 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000346244314 254697064 /nfs/dbraw/zinc/69/70/64/254697064.db2.gz IVGIUJSQLRCNAR-ZDUSSCGKSA-N 1 2 345.403 0.306 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2ncc3c(c2C#N)CCC3)CC1 ZINC000425204308 254782380 /nfs/dbraw/zinc/78/23/80/254782380.db2.gz GSQKNTKHJNEOCN-UHFFFAOYSA-N 1 2 325.416 0.866 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000437981723 254797240 /nfs/dbraw/zinc/79/72/40/254797240.db2.gz BFMAUSBYXOMYIL-XHSDSOJGSA-N 1 2 341.452 0.302 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)N[C@](C(C)C)(C3CC3)C2=O)CC1 ZINC000490829576 254887077 /nfs/dbraw/zinc/88/70/77/254887077.db2.gz CWFWQASCFVLHMH-GOSISDBHSA-N 1 2 346.431 0.120 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@H](C)C(=O)N2CCCC[C@H]2CC)CC1 ZINC000491167512 254900355 /nfs/dbraw/zinc/90/03/55/254900355.db2.gz YMBZAKODDMFKJY-IAGOWNOFSA-N 1 2 348.491 0.533 20 30 ECEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000181339233 533195911 /nfs/dbraw/zinc/19/59/11/533195911.db2.gz VWDLKLDAZHKOFE-ZDUSSCGKSA-N 1 2 329.404 0.655 20 30 ECEDLO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC001077941545 781981481 /nfs/dbraw/zinc/98/14/81/781981481.db2.gz WDHBDXFJKXRLOL-HUUCEWRRSA-N 1 2 327.388 0.823 20 30 ECEDLO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC001077941545 781981488 /nfs/dbraw/zinc/98/14/88/781981488.db2.gz WDHBDXFJKXRLOL-HUUCEWRRSA-N 1 2 327.388 0.823 20 30 ECEDLO N#Cc1ncn(CCNC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000376386976 135565504 /nfs/dbraw/zinc/56/55/04/135565504.db2.gz UFROFWRMRNTDDH-ZDUSSCGKSA-N 1 2 325.376 0.578 20 30 ECEDLO CCC[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H]1CC(=O)N(C)C1=O ZINC000282548613 264051783 /nfs/dbraw/zinc/05/17/83/264051783.db2.gz SGNNYLPXDODQMJ-HNNXBMFYSA-N 1 2 342.399 0.644 20 30 ECEDLO CCC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H]1CC(=O)N(C)C1=O ZINC000282548613 264051786 /nfs/dbraw/zinc/05/17/86/264051786.db2.gz SGNNYLPXDODQMJ-HNNXBMFYSA-N 1 2 342.399 0.644 20 30 ECEDLO Cc1ccnc(N[C@@H]2CCCN(CC[NH+]3CCOCC3)C2=O)c1C#N ZINC000360313130 270007148 /nfs/dbraw/zinc/00/71/48/270007148.db2.gz HLGMSVRSMOBGQJ-MRXNPFEDSA-N 1 2 343.431 0.997 20 30 ECEDLO N#Cc1cccnc1N1CC[NH+](CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000367644265 270007412 /nfs/dbraw/zinc/00/74/12/270007412.db2.gz JTWVJWLJNFMHIC-CALCHBBNSA-N 1 2 327.432 0.938 20 30 ECEDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000298107779 265223042 /nfs/dbraw/zinc/22/30/42/265223042.db2.gz VEOWVXTXWALUAN-CQSZACIVSA-N 1 2 344.371 0.250 20 30 ECEDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000298107779 265223045 /nfs/dbraw/zinc/22/30/45/265223045.db2.gz VEOWVXTXWALUAN-CQSZACIVSA-N 1 2 344.371 0.250 20 30 ECEDLO C[C@H](CO)[N@@H+]1CCCN(S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000367183036 267164116 /nfs/dbraw/zinc/16/41/16/267164116.db2.gz BATDLRLFJBWKRY-LLVKDONJSA-N 1 2 329.447 0.697 20 30 ECEDLO C[C@H](CO)[N@H+]1CCCN(S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000367183036 267164119 /nfs/dbraw/zinc/16/41/19/267164119.db2.gz BATDLRLFJBWKRY-LLVKDONJSA-N 1 2 329.447 0.697 20 30 ECEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000351498793 267199027 /nfs/dbraw/zinc/19/90/27/267199027.db2.gz BFQBABKLSANPBD-DZGCQCFKSA-N 1 2 333.388 0.135 20 30 ECEDLO C[C@H]1OCC[C@H]1[N@H+](CCO)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000361575506 267247047 /nfs/dbraw/zinc/24/70/47/267247047.db2.gz BVCBHADZJOFTTQ-CZUORRHYSA-N 1 2 338.429 0.804 20 30 ECEDLO C[C@H]1OCC[C@H]1[N@@H+](CCO)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000361575506 267247049 /nfs/dbraw/zinc/24/70/49/267247049.db2.gz BVCBHADZJOFTTQ-CZUORRHYSA-N 1 2 338.429 0.804 20 30 ECEDLO Cc1cc(N2CC[NH+]([C@@H](C)C(=O)N3CCOCC3)CC2)cc(C#N)n1 ZINC000342802883 267339720 /nfs/dbraw/zinc/33/97/20/267339720.db2.gz RMTXPZXGZGSERE-HNNXBMFYSA-N 1 2 343.431 0.631 20 30 ECEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000357080262 267380056 /nfs/dbraw/zinc/38/00/56/267380056.db2.gz YLTOLKYLSDNNRP-ZDUSSCGKSA-N 1 2 330.388 0.642 20 30 ECEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000357080262 267380059 /nfs/dbraw/zinc/38/00/59/267380059.db2.gz YLTOLKYLSDNNRP-ZDUSSCGKSA-N 1 2 330.388 0.642 20 30 ECEDLO N#Cc1cc(N[C@H]2CCCN(CC[NH+]3CCOCC3)C2=O)ccn1 ZINC000367835090 267968461 /nfs/dbraw/zinc/96/84/61/267968461.db2.gz HJPVCZJYDREZFL-INIZCTEOSA-N 1 2 329.404 0.110 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)cc1 ZINC000375571878 268067860 /nfs/dbraw/zinc/06/78/60/268067860.db2.gz QFTIJMVZMDWTPG-KRWDZBQOSA-N 1 2 328.372 0.749 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)cc1 ZINC000375571878 268067862 /nfs/dbraw/zinc/06/78/62/268067862.db2.gz QFTIJMVZMDWTPG-KRWDZBQOSA-N 1 2 328.372 0.749 20 30 ECEDLO Cn1[nH]c([C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccccc2C#N)nc1=N ZINC000528485383 268108628 /nfs/dbraw/zinc/10/86/28/268108628.db2.gz BIMBZLCJBTXWDJ-ZIAGYGMSSA-N 1 2 342.403 0.676 20 30 ECEDLO Cn1[nH]c([C@H]2CCC[N@H+]2C[C@@H](O)COc2ccccc2C#N)nc1=N ZINC000528485383 268108631 /nfs/dbraw/zinc/10/86/31/268108631.db2.gz BIMBZLCJBTXWDJ-ZIAGYGMSSA-N 1 2 342.403 0.676 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](CCN3CCCS3(=O)=O)CC2)nc1 ZINC000328612284 268116319 /nfs/dbraw/zinc/11/63/19/268116319.db2.gz PFJYGSFUWCVODG-UHFFFAOYSA-N 1 2 335.433 0.111 20 30 ECEDLO N#Cc1cc(=O)n(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)cn1 ZINC000516650273 268173528 /nfs/dbraw/zinc/17/35/28/268173528.db2.gz QGFRGUIARKMLKY-UHFFFAOYSA-N 1 2 343.412 0.521 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)o1 ZINC000376239626 268202515 /nfs/dbraw/zinc/20/25/15/268202515.db2.gz CNDPPGTWSDHXIT-JSGCOSHPSA-N 1 2 339.417 0.930 20 30 ECEDLO N#Cc1ccc([C@@H](O)CN2CC[NH+]([C@H]3CCCCNC3=O)CC2)cc1 ZINC000372006540 268213115 /nfs/dbraw/zinc/21/31/15/268213115.db2.gz LLOMEABXZCIPPT-ROUUACIJSA-N 1 2 342.443 0.878 20 30 ECEDLO N#Cc1ccc([C@@H](O)C[NH+]2CCN([C@H]3CCCCNC3=O)CC2)cc1 ZINC000372006540 268213117 /nfs/dbraw/zinc/21/31/17/268213117.db2.gz LLOMEABXZCIPPT-ROUUACIJSA-N 1 2 342.443 0.878 20 30 ECEDLO N#Cc1ncccc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000375436695 268330423 /nfs/dbraw/zinc/33/04/23/268330423.db2.gz GZWVWOAKMDEEIL-QWHCGFSZSA-N 1 2 336.417 0.485 20 30 ECEDLO N#Cc1ncccc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000375436695 268330425 /nfs/dbraw/zinc/33/04/25/268330425.db2.gz GZWVWOAKMDEEIL-QWHCGFSZSA-N 1 2 336.417 0.485 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC[C@@H]2CC[C@@H](C)O2)CC1 ZINC000173145972 275383463 /nfs/dbraw/zinc/38/34/63/275383463.db2.gz STETUMFNYGOYEO-CVEARBPZSA-N 1 2 335.448 0.618 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC[C@@H]2CC[C@@H](C)O2)CC1 ZINC000173145972 275383464 /nfs/dbraw/zinc/38/34/64/275383464.db2.gz STETUMFNYGOYEO-CVEARBPZSA-N 1 2 335.448 0.618 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000436276441 275429845 /nfs/dbraw/zinc/42/98/45/275429845.db2.gz UAWAOXRNDUUHEL-UHFFFAOYSA-N 1 2 345.403 0.987 20 30 ECEDLO C[N@@H+]1CCN(C2CCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)C(=O)C1 ZINC000374836990 277103697 /nfs/dbraw/zinc/10/36/97/277103697.db2.gz HNFZBQLQXQJHDF-UHFFFAOYSA-N 1 2 344.375 0.604 20 30 ECEDLO C[N@H+]1CCN(C2CCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)C(=O)C1 ZINC000374836990 277103698 /nfs/dbraw/zinc/10/36/98/277103698.db2.gz HNFZBQLQXQJHDF-UHFFFAOYSA-N 1 2 344.375 0.604 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000330750531 437605389 /nfs/dbraw/zinc/60/53/89/437605389.db2.gz HXFUTBQVLNGQSS-UHFFFAOYSA-N 1 2 331.401 0.788 20 30 ECEDLO CN1CCN(C(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C[C@H]1C#N ZINC000298790575 290007114 /nfs/dbraw/zinc/00/71/14/290007114.db2.gz RWRWWJVFBYTOTQ-CHWSQXEVSA-N 1 2 330.392 0.129 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)o1 ZINC000340291376 437617144 /nfs/dbraw/zinc/61/71/44/437617144.db2.gz KUEMVVKOAMCIOP-UHFFFAOYSA-N 1 2 330.388 0.922 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)o1 ZINC000340291376 437617150 /nfs/dbraw/zinc/61/71/50/437617150.db2.gz KUEMVVKOAMCIOP-UHFFFAOYSA-N 1 2 330.388 0.922 20 30 ECEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000360538468 437622690 /nfs/dbraw/zinc/62/26/90/437622690.db2.gz ZMOAGJDLQPHNQB-ZBFHGGJFSA-N 1 2 334.468 0.004 20 30 ECEDLO O=C(NCc1nnc2n1CCC2)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329497278 295378845 /nfs/dbraw/zinc/37/88/45/295378845.db2.gz FCOJASUVQNXDIP-ZDUSSCGKSA-N 1 2 334.424 0.435 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000374579040 298278651 /nfs/dbraw/zinc/27/86/51/298278651.db2.gz KRVLFNVHSKTFPR-QLFBSQMISA-N 1 2 344.481 0.698 20 30 ECEDLO COC(=O)CNC(=O)[C@@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000073620335 436084740 /nfs/dbraw/zinc/08/47/40/436084740.db2.gz XQOSIZBZJVGDCT-CQSZACIVSA-N 1 2 344.415 0.354 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000025052717 436144260 /nfs/dbraw/zinc/14/42/60/436144260.db2.gz KPTPRAZWJHNPBU-CQSZACIVSA-N 1 2 349.456 0.567 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000074259676 436115975 /nfs/dbraw/zinc/11/59/75/436115975.db2.gz BNMVRCUBEVDRJF-UHFFFAOYSA-N 1 2 341.371 0.728 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000074259676 436115980 /nfs/dbraw/zinc/11/59/80/436115980.db2.gz BNMVRCUBEVDRJF-UHFFFAOYSA-N 1 2 341.371 0.728 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC000022852252 436122195 /nfs/dbraw/zinc/12/21/95/436122195.db2.gz TZZBMFXJEIRDOL-ZDUSSCGKSA-N 1 2 335.408 0.230 20 30 ECEDLO Cn1nc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1=O ZINC000028798468 436192343 /nfs/dbraw/zinc/19/23/43/436192343.db2.gz WWEUNYZNESTEOB-UHFFFAOYSA-N 1 2 337.383 0.610 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CC(=O)N(C)[C@@H](C)CC(C)C)CC1 ZINC000076800364 436216576 /nfs/dbraw/zinc/21/65/76/436216576.db2.gz BBVOIPJCHPIYQD-INIZCTEOSA-N 1 2 338.496 0.799 20 30 ECEDLO CC[C@@H](C)NC(=O)CN1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000079031501 436286273 /nfs/dbraw/zinc/28/62/73/436286273.db2.gz PVAJBONLXPQHEH-CABCVRRESA-N 1 2 337.468 0.279 20 30 ECEDLO CCn1nc2c(cc1=O)C[N@H+]([C@H](C(N)=O)c1ccc(C#N)cc1)CC2 ZINC000078619343 436272999 /nfs/dbraw/zinc/27/29/99/436272999.db2.gz DGRPFHOLJXUIRZ-KRWDZBQOSA-N 1 2 337.383 0.720 20 30 ECEDLO CCn1nc2c(cc1=O)C[N@@H+]([C@H](C(N)=O)c1ccc(C#N)cc1)CC2 ZINC000078619343 436273002 /nfs/dbraw/zinc/27/30/02/436273002.db2.gz DGRPFHOLJXUIRZ-KRWDZBQOSA-N 1 2 337.383 0.720 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCO[C@@H](c3ccccc3)C2)CC1 ZINC000081648409 436352339 /nfs/dbraw/zinc/35/23/39/436352339.db2.gz HYWYWOHYDDYSIR-GOSISDBHSA-N 1 2 327.428 0.837 20 30 ECEDLO C[C@H]1C[NH+](C(C)(C)CNS(=O)(=O)N(C)CCC#N)C[C@H](C)O1 ZINC000045799463 436377535 /nfs/dbraw/zinc/37/75/35/436377535.db2.gz KVLDKIARCCBKPM-STQMWFEESA-N 1 2 332.470 0.554 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCCC#N)CC2)C[C@@H](C)O1 ZINC000045944128 436381501 /nfs/dbraw/zinc/38/15/01/436381501.db2.gz UWZFAKUWYJQHJB-ZIAGYGMSSA-N 1 2 330.454 0.262 20 30 ECEDLO C#CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000091480284 436450174 /nfs/dbraw/zinc/45/01/74/436450174.db2.gz CLEJBXRWMWXBMA-UHFFFAOYSA-N 1 2 338.389 0.388 20 30 ECEDLO COCCN1CC[N@H+](CCC(=O)Nc2sccc2C#N)CC1=O ZINC000091813263 436461095 /nfs/dbraw/zinc/46/10/95/436461095.db2.gz SLTUORVGOKTKOM-UHFFFAOYSA-N 1 2 336.417 0.739 20 30 ECEDLO COCCN1CC[N@@H+](CCC(=O)Nc2sccc2C#N)CC1=O ZINC000091813263 436461097 /nfs/dbraw/zinc/46/10/97/436461097.db2.gz SLTUORVGOKTKOM-UHFFFAOYSA-N 1 2 336.417 0.739 20 30 ECEDLO COC(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000092618555 436473860 /nfs/dbraw/zinc/47/38/60/436473860.db2.gz IRWHKCWQWZDMSL-CABCVRRESA-N 1 2 336.436 0.316 20 30 ECEDLO COC(=O)[C@H]1CCC[N@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000092618555 436473861 /nfs/dbraw/zinc/47/38/61/436473861.db2.gz IRWHKCWQWZDMSL-CABCVRRESA-N 1 2 336.436 0.316 20 30 ECEDLO CCC[N@H+](CC(=O)NC)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000092617808 436473886 /nfs/dbraw/zinc/47/38/86/436473886.db2.gz UNULDSKUEAJHKG-HNNXBMFYSA-N 1 2 337.468 0.137 20 30 ECEDLO CCC[N@@H+](CC(=O)NC)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000092617808 436473888 /nfs/dbraw/zinc/47/38/88/436473888.db2.gz UNULDSKUEAJHKG-HNNXBMFYSA-N 1 2 337.468 0.137 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H](S(=O)(=O)NCC)C1 ZINC000092843598 436477756 /nfs/dbraw/zinc/47/77/56/436477756.db2.gz RAGWOIXWXSARRX-KBPBESRZSA-N 1 2 329.466 0.589 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H](S(=O)(=O)NCC)C1 ZINC000092843598 436477758 /nfs/dbraw/zinc/47/77/58/436477758.db2.gz RAGWOIXWXSARRX-KBPBESRZSA-N 1 2 329.466 0.589 20 30 ECEDLO CCNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000092843782 436478525 /nfs/dbraw/zinc/47/85/25/436478525.db2.gz CLKOYLYDTDCGSA-ZDUSSCGKSA-N 1 2 342.465 0.343 20 30 ECEDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000092843782 436478530 /nfs/dbraw/zinc/47/85/30/436478530.db2.gz CLKOYLYDTDCGSA-ZDUSSCGKSA-N 1 2 342.465 0.343 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+]([C@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000053423663 436533235 /nfs/dbraw/zinc/53/32/35/436533235.db2.gz GYCNLMROXZKDPL-MRXNPFEDSA-N 1 2 338.496 0.940 20 30 ECEDLO N#Cc1ccc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000057062032 436604485 /nfs/dbraw/zinc/60/44/85/436604485.db2.gz AAIQBVDWOVTABL-UHFFFAOYSA-N 1 2 336.399 0.900 20 30 ECEDLO COc1ccc(C(N)=[NH+]O[C@@H]2CCN(c3cnn(C)c3)C2=O)cc1 ZINC000113249046 436636752 /nfs/dbraw/zinc/63/67/52/436636752.db2.gz JCKYEGYRIZXQGM-CQSZACIVSA-N 1 2 329.360 0.871 20 30 ECEDLO COc1ccc(C(N)=[NH+]O[C@H]2CCN(c3cnn(C)c3)C2=O)cc1 ZINC000113249043 436636804 /nfs/dbraw/zinc/63/68/04/436636804.db2.gz JCKYEGYRIZXQGM-AWEZNQCLSA-N 1 2 329.360 0.871 20 30 ECEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116890600 436653466 /nfs/dbraw/zinc/65/34/66/436653466.db2.gz RPHPQTCJXWJRQK-FZMZJTMJSA-N 1 2 336.417 0.509 20 30 ECEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116890600 436653470 /nfs/dbraw/zinc/65/34/70/436653470.db2.gz RPHPQTCJXWJRQK-FZMZJTMJSA-N 1 2 336.417 0.509 20 30 ECEDLO CN(C(=O)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1)C1(C#N)CCCCC1 ZINC000116892352 436654485 /nfs/dbraw/zinc/65/44/85/436654485.db2.gz CRIPSVGTRYFSCQ-ZDUSSCGKSA-N 1 2 342.465 0.295 20 30 ECEDLO CN(C(=O)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1)C1(C#N)CCCCC1 ZINC000116892352 436654486 /nfs/dbraw/zinc/65/44/86/436654486.db2.gz CRIPSVGTRYFSCQ-ZDUSSCGKSA-N 1 2 342.465 0.295 20 30 ECEDLO Cc1cc(C#N)cnc1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000551852079 302366003 /nfs/dbraw/zinc/36/60/03/302366003.db2.gz ADKXCDXMAQJMRK-INIZCTEOSA-N 1 2 344.415 0.825 20 30 ECEDLO Cc1ccc(NC(=O)C[NH+]2CCC(C#N)CC2)cc1S(N)(=O)=O ZINC000195315072 436688635 /nfs/dbraw/zinc/68/86/35/436688635.db2.gz XNQIDMWKDMPMSD-UHFFFAOYSA-N 1 2 336.417 0.817 20 30 ECEDLO C=CCNC(=O)CNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000272029494 436702444 /nfs/dbraw/zinc/70/24/44/436702444.db2.gz JGFPEKMSGHUVEN-UHFFFAOYSA-N 1 2 333.392 0.020 20 30 ECEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCN(C)C(=O)C2)c(OC)c1 ZINC000119482337 436667255 /nfs/dbraw/zinc/66/72/55/436667255.db2.gz OYBCIHZNDILWTE-HNNXBMFYSA-N 1 2 334.416 0.937 20 30 ECEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCN(C)C(=O)C2)c(OC)c1 ZINC000119482337 436667257 /nfs/dbraw/zinc/66/72/57/436667257.db2.gz OYBCIHZNDILWTE-HNNXBMFYSA-N 1 2 334.416 0.937 20 30 ECEDLO N#Cc1ccc(NCC(=O)N(CCO)CC[NH+]2CCOCC2)cc1 ZINC000152385183 436726976 /nfs/dbraw/zinc/72/69/76/436726976.db2.gz OFBMSTOIWWLIQZ-UHFFFAOYSA-N 1 2 332.404 0.123 20 30 ECEDLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCCC#N)c2)CC1 ZINC000273164159 436735158 /nfs/dbraw/zinc/73/51/58/436735158.db2.gz ZWUKPEYSCHCXCP-UHFFFAOYSA-N 1 2 343.431 0.792 20 30 ECEDLO C[C@H](NS(=O)(=O)c1ccc(F)cc1C#N)[C@@H]1C[N@H+](C)CCO1 ZINC000128241241 436814099 /nfs/dbraw/zinc/81/40/99/436814099.db2.gz BTJSYPHKVCBYKP-GWCFXTLKSA-N 1 2 327.381 0.695 20 30 ECEDLO C[C@H](NS(=O)(=O)c1ccc(F)cc1C#N)[C@@H]1C[N@@H+](C)CCO1 ZINC000128241241 436814102 /nfs/dbraw/zinc/81/41/02/436814102.db2.gz BTJSYPHKVCBYKP-GWCFXTLKSA-N 1 2 327.381 0.695 20 30 ECEDLO COc1cc2c(cc1OC)CN(C(=O)CO[NH+]=C(N)CCO)CC2 ZINC000274364383 436819651 /nfs/dbraw/zinc/81/96/51/436819651.db2.gz OFFGMIPCTYNJIK-UHFFFAOYSA-N 1 2 337.376 0.260 20 30 ECEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)N(CCC#N)CCC#N)[C@H]2C1 ZINC000246456419 436780053 /nfs/dbraw/zinc/78/00/53/436780053.db2.gz JBCHWOUYYPEYJZ-PMPSAXMXSA-N 1 2 334.420 0.911 20 30 ECEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@H]2C1 ZINC000246456419 436780056 /nfs/dbraw/zinc/78/00/56/436780056.db2.gz JBCHWOUYYPEYJZ-PMPSAXMXSA-N 1 2 334.420 0.911 20 30 ECEDLO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000126304882 436784605 /nfs/dbraw/zinc/78/46/05/436784605.db2.gz UROOOMSBDCKHIF-IUODEOHRSA-N 1 2 335.429 0.682 20 30 ECEDLO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000126304882 436784609 /nfs/dbraw/zinc/78/46/09/436784609.db2.gz UROOOMSBDCKHIF-IUODEOHRSA-N 1 2 335.429 0.682 20 30 ECEDLO C[C@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)Cn1cc[nH+]c1 ZINC000155006415 436789099 /nfs/dbraw/zinc/78/90/99/436789099.db2.gz WHUOHZBRKAMUBT-CYBMUJFWSA-N 1 2 325.372 0.937 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ncoc2C2CC2)CC1 ZINC000292996888 436842134 /nfs/dbraw/zinc/84/21/34/436842134.db2.gz FTHHBHHASXUMSQ-UHFFFAOYSA-N 1 2 330.388 0.449 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ncoc2C2CC2)CC1 ZINC000292996888 436842137 /nfs/dbraw/zinc/84/21/37/436842137.db2.gz FTHHBHHASXUMSQ-UHFFFAOYSA-N 1 2 330.388 0.449 20 30 ECEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC000130867216 436843792 /nfs/dbraw/zinc/84/37/92/436843792.db2.gz SSAIXCXPOGSHCN-UHFFFAOYSA-N 1 2 338.371 0.423 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000293127555 436850678 /nfs/dbraw/zinc/85/06/78/436850678.db2.gz ZNYLKJOERXJLOY-ZBFHGGJFSA-N 1 2 334.424 0.462 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000293127555 436850681 /nfs/dbraw/zinc/85/06/81/436850681.db2.gz ZNYLKJOERXJLOY-ZBFHGGJFSA-N 1 2 334.424 0.462 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2)cc1 ZINC000280085699 436861301 /nfs/dbraw/zinc/86/13/01/436861301.db2.gz AJFSDPFCMGAJBO-JKSUJKDBSA-N 1 2 342.399 0.235 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCO[C@@H](c3cccs3)C2)CC1 ZINC000157700054 436832771 /nfs/dbraw/zinc/83/27/71/436832771.db2.gz UWLZYCOOGJWWHU-OAHLLOKOSA-N 1 2 333.457 0.899 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135705204 436922482 /nfs/dbraw/zinc/92/24/82/436922482.db2.gz LHDQNJCCGCPODT-HNNXBMFYSA-N 1 2 341.477 0.687 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135705204 436922487 /nfs/dbraw/zinc/92/24/87/436922487.db2.gz LHDQNJCCGCPODT-HNNXBMFYSA-N 1 2 341.477 0.687 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135668272 436922650 /nfs/dbraw/zinc/92/26/50/436922650.db2.gz GFQGGHZZESCTAS-CQSZACIVSA-N 1 2 342.465 0.248 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135668272 436922653 /nfs/dbraw/zinc/92/26/53/436922653.db2.gz GFQGGHZZESCTAS-CQSZACIVSA-N 1 2 342.465 0.248 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000274971537 436902414 /nfs/dbraw/zinc/90/24/14/436902414.db2.gz KKFDZVXATGGMJJ-UHFFFAOYSA-N 1 2 349.347 0.383 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NC(=O)NC2CCCCC2)C1=O ZINC000281414628 436967824 /nfs/dbraw/zinc/96/78/24/436967824.db2.gz RKDQOTSZTDYUOM-CQSZACIVSA-N 1 2 336.436 0.864 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NC(=O)NC2CCCCC2)C1=O ZINC000281414628 436967827 /nfs/dbraw/zinc/96/78/27/436967827.db2.gz RKDQOTSZTDYUOM-CQSZACIVSA-N 1 2 336.436 0.864 20 30 ECEDLO CCN(CC)C(=O)c1cccc(NC(=O)CO[NH+]=C(N)CCO)c1 ZINC000275464245 436972055 /nfs/dbraw/zinc/97/20/55/436972055.db2.gz KWIWWBXSKMOKLQ-UHFFFAOYSA-N 1 2 336.392 0.778 20 30 ECEDLO C[C@H](C(=O)N1CCN(c2ncccc2C#N)CC1)[NH+]1CCN(C)CC1 ZINC000263668897 436975903 /nfs/dbraw/zinc/97/59/03/436975903.db2.gz KJTMGFZNHIZJFV-OAHLLOKOSA-N 1 2 342.447 0.238 20 30 ECEDLO N#CC1(CS(=O)(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000165258433 436935326 /nfs/dbraw/zinc/93/53/26/436935326.db2.gz NSUZUECIQALAEJ-CQSZACIVSA-N 1 2 327.450 0.664 20 30 ECEDLO N#C[C@H]1CN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCO1 ZINC000264421513 437028025 /nfs/dbraw/zinc/02/80/25/437028025.db2.gz UGCIVUKFCCBXDR-IRXDYDNUSA-N 1 2 344.415 0.821 20 30 ECEDLO N#C[C@H]1CN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCO1 ZINC000264421513 437028029 /nfs/dbraw/zinc/02/80/29/437028029.db2.gz UGCIVUKFCCBXDR-IRXDYDNUSA-N 1 2 344.415 0.821 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000264439692 437030351 /nfs/dbraw/zinc/03/03/51/437030351.db2.gz PSQPAYRQOQTSDK-NWDGAFQWSA-N 1 2 340.424 0.986 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000264439692 437030352 /nfs/dbraw/zinc/03/03/52/437030352.db2.gz PSQPAYRQOQTSDK-NWDGAFQWSA-N 1 2 340.424 0.986 20 30 ECEDLO C[C@H](O[NH+]=C(N)[C@H]1CCCO1)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000283859656 437032229 /nfs/dbraw/zinc/03/22/29/437032229.db2.gz CFZJYAVYLUAURM-SLEUVZQESA-N 1 2 349.387 0.799 20 30 ECEDLO C[C@H](O[NH+]=C(N)[C@H]1CCCO1)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000283859664 437032672 /nfs/dbraw/zinc/03/26/72/437032672.db2.gz CFZJYAVYLUAURM-YWPYICTPSA-N 1 2 349.387 0.799 20 30 ECEDLO CN(C)C(=O)c1ccc(NC(=O)CO[NH+]=C(N)[C@@H]2CCCO2)cc1 ZINC000284454652 437053294 /nfs/dbraw/zinc/05/32/94/437053294.db2.gz QERCHECDQVZJHY-ZDUSSCGKSA-N 1 2 334.376 0.795 20 30 ECEDLO CCOC(=O)N[C@H]1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000299074179 437057624 /nfs/dbraw/zinc/05/76/24/437057624.db2.gz FGRSQCCJLTXWHU-AWEZNQCLSA-N 1 2 335.408 0.853 20 30 ECEDLO CCOC(=O)N[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000299074179 437057627 /nfs/dbraw/zinc/05/76/27/437057627.db2.gz FGRSQCCJLTXWHU-AWEZNQCLSA-N 1 2 335.408 0.853 20 30 ECEDLO CN1C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC[C@@H]21 ZINC000285723333 437080995 /nfs/dbraw/zinc/08/09/95/437080995.db2.gz JYDHECMBFZFUPA-OWCLPIDISA-N 1 2 339.399 0.761 20 30 ECEDLO CN1C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC[C@@H]21 ZINC000285723333 437080997 /nfs/dbraw/zinc/08/09/97/437080997.db2.gz JYDHECMBFZFUPA-OWCLPIDISA-N 1 2 339.399 0.761 20 30 ECEDLO N#C[C@@H]1CN(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CCO1 ZINC000331435525 437095163 /nfs/dbraw/zinc/09/51/63/437095163.db2.gz BCCLDDMVVWIBIO-CQSZACIVSA-N 1 2 331.376 0.352 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000265149799 437104389 /nfs/dbraw/zinc/10/43/89/437104389.db2.gz BAUMRXRYMUEZPW-UHFFFAOYSA-N 1 2 345.403 0.865 20 30 ECEDLO C=CCN(C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000286954521 437147975 /nfs/dbraw/zinc/14/79/75/437147975.db2.gz BRVMCQITDSXSNH-HNNXBMFYSA-N 1 2 345.447 0.353 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000178038208 437204666 /nfs/dbraw/zinc/20/46/66/437204666.db2.gz ZCDMZJGLQMIBOV-UHFFFAOYSA-N 1 2 332.379 0.542 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000178038208 437204670 /nfs/dbraw/zinc/20/46/70/437204670.db2.gz ZCDMZJGLQMIBOV-UHFFFAOYSA-N 1 2 332.379 0.542 20 30 ECEDLO Cn1cc[nH+]c1CN1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000332104766 437207942 /nfs/dbraw/zinc/20/79/42/437207942.db2.gz TTZOEMYTXVYTHX-UHFFFAOYSA-N 1 2 335.389 0.391 20 30 ECEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c(C)c(C)nn(C)c2=O)CC1 ZINC000328831590 437269535 /nfs/dbraw/zinc/26/95/35/437269535.db2.gz VISCCZIMLDRJIR-UHFFFAOYSA-N 1 2 349.435 0.521 20 30 ECEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2c(C)c(C)nn(C)c2=O)CC1 ZINC000328831590 437269537 /nfs/dbraw/zinc/26/95/37/437269537.db2.gz VISCCZIMLDRJIR-UHFFFAOYSA-N 1 2 349.435 0.521 20 30 ECEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@H]1CCO[C@@H]1C1CC1 ZINC000328823497 437269646 /nfs/dbraw/zinc/26/96/46/437269646.db2.gz GTBXOUIVRKBPNM-JKSUJKDBSA-N 1 2 349.435 0.918 20 30 ECEDLO C[N@@H+]1CC[C@H]2OCCN(CCS(=O)(=O)c3cccc(C#N)c3)[C@@H]2C1 ZINC000329040850 437307267 /nfs/dbraw/zinc/30/72/67/437307267.db2.gz SPKVFAXVUYDYSC-IAGOWNOFSA-N 1 2 349.456 0.737 20 30 ECEDLO C[N@H+]1CC[C@H]2OCCN(CCS(=O)(=O)c3cccc(C#N)c3)[C@@H]2C1 ZINC000329040850 437307271 /nfs/dbraw/zinc/30/72/71/437307271.db2.gz SPKVFAXVUYDYSC-IAGOWNOFSA-N 1 2 349.456 0.737 20 30 ECEDLO N#Cc1cc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)c[nH]1 ZINC000181228977 437314952 /nfs/dbraw/zinc/31/49/52/437314952.db2.gz DTUXAMSIYDWFAA-UHFFFAOYSA-N 1 2 325.376 0.228 20 30 ECEDLO C[C@H](CNC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1)[NH+]1CCOCC1 ZINC000329098355 437317098 /nfs/dbraw/zinc/31/70/98/437317098.db2.gz CTNSSFIUDNGQOI-IIAWOOMASA-N 1 2 327.425 0.549 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000336948277 437317166 /nfs/dbraw/zinc/31/71/66/437317166.db2.gz QGYUVTMWRIZYSH-CABCVRRESA-N 1 2 345.513 0.328 20 30 ECEDLO N#C[C@@H]1CN(S(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CCO1 ZINC000336946359 437317522 /nfs/dbraw/zinc/31/75/22/437317522.db2.gz OHJXCIMSPVTBPJ-ZIAGYGMSSA-N 1 2 338.389 0.004 20 30 ECEDLO CC(C)(CNC(=O)CN1CCc2cncnc2C1)[NH+]1CCOCC1 ZINC000329091310 437317752 /nfs/dbraw/zinc/31/77/52/437317752.db2.gz AAYZRFYJIHCWJK-UHFFFAOYSA-N 1 2 333.436 0.902 20 30 ECEDLO C[C@H]([C@H](C)NC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1)[NH+]1CCOCC1 ZINC000329124794 437321294 /nfs/dbraw/zinc/32/12/94/437321294.db2.gz SNPZMXHYUGACOW-KLZNWCGWSA-N 1 2 341.452 0.937 20 30 ECEDLO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(C)(C)S(=O)(=O)C1CC1 ZINC000328849722 437272482 /nfs/dbraw/zinc/27/24/82/437272482.db2.gz YXAZFQRMTWHHKH-GFCCVEGCSA-N 1 2 331.482 0.935 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NCc2cccc(C#N)c2)C1=O ZINC000337221298 437341184 /nfs/dbraw/zinc/34/11/84/437341184.db2.gz LDWPJITYTMHXKH-INIZCTEOSA-N 1 2 326.400 0.893 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NCc2cccc(C#N)c2)C1=O ZINC000337221298 437341188 /nfs/dbraw/zinc/34/11/88/437341188.db2.gz LDWPJITYTMHXKH-INIZCTEOSA-N 1 2 326.400 0.893 20 30 ECEDLO CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CCO1 ZINC000329271445 437343551 /nfs/dbraw/zinc/34/35/51/437343551.db2.gz IBESBXJCBRXWIP-CVEARBPZSA-N 1 2 339.436 0.834 20 30 ECEDLO CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CCO1 ZINC000329271445 437343555 /nfs/dbraw/zinc/34/35/55/437343555.db2.gz IBESBXJCBRXWIP-CVEARBPZSA-N 1 2 339.436 0.834 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1[nH+]ccn1C ZINC000268151646 437376599 /nfs/dbraw/zinc/37/65/99/437376599.db2.gz OXOZIKWPZTYHRO-GFCCVEGCSA-N 1 2 340.391 0.502 20 30 ECEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC000329410438 437365725 /nfs/dbraw/zinc/36/57/25/437365725.db2.gz BVPIOXOWKQKNFS-JTQLQIEISA-N 1 2 337.380 0.030 20 30 ECEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)C1 ZINC000329433027 437367785 /nfs/dbraw/zinc/36/77/85/437367785.db2.gz IWUNAEAAJAYHEN-HUUCEWRRSA-N 1 2 338.452 0.565 20 30 ECEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)C1 ZINC000329433027 437367787 /nfs/dbraw/zinc/36/77/87/437367787.db2.gz IWUNAEAAJAYHEN-HUUCEWRRSA-N 1 2 338.452 0.565 20 30 ECEDLO CS(=O)(=O)N1CCC[C@H](NC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000329429259 437367999 /nfs/dbraw/zinc/36/79/99/437367999.db2.gz GXTNPDXNXLOGNU-ZDUSSCGKSA-N 1 2 345.465 0.622 20 30 ECEDLO Cc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[C@@H]3OCC[N@@H+](C)[C@@H]3C1)CC2 ZINC000329136806 437323213 /nfs/dbraw/zinc/32/32/13/437323213.db2.gz RDAQADIKOBKXDE-MCIONIFRSA-N 1 2 334.424 0.220 20 30 ECEDLO Cc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[C@@H]3OCC[N@H+](C)[C@@H]3C1)CC2 ZINC000329136806 437323215 /nfs/dbraw/zinc/32/32/15/437323215.db2.gz RDAQADIKOBKXDE-MCIONIFRSA-N 1 2 334.424 0.220 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)C[C@H]1C ZINC000288460984 437325117 /nfs/dbraw/zinc/32/51/17/437325117.db2.gz VYJLCFJZCHCABM-ZIAGYGMSSA-N 1 2 337.445 0.775 20 30 ECEDLO CCN(C(=O)NCC[NH+]1CCSCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000329140482 437325355 /nfs/dbraw/zinc/32/53/55/437325355.db2.gz FVVSRNLKKTWGRK-GFCCVEGCSA-N 1 2 335.495 0.458 20 30 ECEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181694224 437327672 /nfs/dbraw/zinc/32/76/72/437327672.db2.gz FJXZUJQBTLYTLU-OAHLLOKOSA-N 1 2 345.428 0.935 20 30 ECEDLO CC(=O)N1CCCC[C@@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000329195059 437331422 /nfs/dbraw/zinc/33/14/22/437331422.db2.gz TZPHFHDJHPFFNB-CQSZACIVSA-N 1 2 340.424 0.633 20 30 ECEDLO Cc1cnn(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000329723677 437405640 /nfs/dbraw/zinc/40/56/40/437405640.db2.gz CXAWPYVBFHMSAZ-AWEZNQCLSA-N 1 2 335.408 0.081 20 30 ECEDLO O=S1(=O)CCCC[C@@H]1CNC([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329740963 437407383 /nfs/dbraw/zinc/40/73/83/437407383.db2.gz VRBNAGBWNPIJSO-GHMZBOCLSA-N 1 2 326.422 0.738 20 30 ECEDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCN2CCOC[C@H]2C1 ZINC000329772389 437411003 /nfs/dbraw/zinc/41/10/03/437411003.db2.gz HJUPOXVDBJWFIF-MRXNPFEDSA-N 1 2 345.447 0.981 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000279577690 437425494 /nfs/dbraw/zinc/42/54/94/437425494.db2.gz WLQIFUIFDJMCMT-LBPRGKRZSA-N 1 2 348.378 0.815 20 30 ECEDLO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329905648 437429313 /nfs/dbraw/zinc/42/93/13/437429313.db2.gz AVGVOMRXJOGTHP-JYJNAYRXSA-N 1 2 346.431 0.952 20 30 ECEDLO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329905648 437429315 /nfs/dbraw/zinc/42/93/15/437429315.db2.gz AVGVOMRXJOGTHP-JYJNAYRXSA-N 1 2 346.431 0.952 20 30 ECEDLO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329905650 437429619 /nfs/dbraw/zinc/42/96/19/437429619.db2.gz AVGVOMRXJOGTHP-PMPSAXMXSA-N 1 2 346.431 0.952 20 30 ECEDLO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329905650 437429622 /nfs/dbraw/zinc/42/96/22/437429622.db2.gz AVGVOMRXJOGTHP-PMPSAXMXSA-N 1 2 346.431 0.952 20 30 ECEDLO O=S1(=O)CCCC[C@@H]1C[NH+]=C([O-])NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329916558 437430667 /nfs/dbraw/zinc/43/06/67/437430667.db2.gz YWZFYQCYQVYAND-CHWSQXEVSA-N 1 2 340.449 0.916 20 30 ECEDLO O=S1(=O)CCCC[C@@H]1CNC([O-])=[NH+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000329916558 437430671 /nfs/dbraw/zinc/43/06/71/437430671.db2.gz YWZFYQCYQVYAND-CHWSQXEVSA-N 1 2 340.449 0.916 20 30 ECEDLO O=C(NC[C@H]1CCc2[nH+]ccn2C1)NC[C@H]1CCCCS1(=O)=O ZINC000329916558 437430675 /nfs/dbraw/zinc/43/06/75/437430675.db2.gz YWZFYQCYQVYAND-CHWSQXEVSA-N 1 2 340.449 0.916 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(C3CC3)n2CC=C)CC1 ZINC000337862423 437382999 /nfs/dbraw/zinc/38/29/99/437382999.db2.gz NVRMNCIUDIBPEW-UHFFFAOYSA-N 1 2 330.436 0.766 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183743029 437390595 /nfs/dbraw/zinc/39/05/95/437390595.db2.gz DHWUMMAEGNCECV-CQSZACIVSA-N 1 2 329.466 0.615 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183743029 437390600 /nfs/dbraw/zinc/39/06/00/437390600.db2.gz DHWUMMAEGNCECV-CQSZACIVSA-N 1 2 329.466 0.615 20 30 ECEDLO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCS(=O)(=O)CC2)C[C@H](C)O1 ZINC000329628117 437393300 /nfs/dbraw/zinc/39/33/00/437393300.db2.gz PSBAKUABXGDKQU-BETUJISGSA-N 1 2 347.481 0.519 20 30 ECEDLO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCS(=O)(=O)CC2)C[C@H](C)O1 ZINC000329628117 437393303 /nfs/dbraw/zinc/39/33/03/437393303.db2.gz PSBAKUABXGDKQU-BETUJISGSA-N 1 2 347.481 0.519 20 30 ECEDLO CS(=O)(=O)N1CCC[C@@H]1CNC([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329627650 437393308 /nfs/dbraw/zinc/39/33/08/437393308.db2.gz UIWOOWKFBQUNHZ-WDEREUQCSA-N 1 2 341.437 0.195 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NC[C@H]3COc4ccccc4O3)C[C@@H]21 ZINC000329648778 437397092 /nfs/dbraw/zinc/39/70/92/437397092.db2.gz FDRDGFQTNNWKMQ-HEHGZKQESA-N 1 2 333.388 0.755 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NC[C@H]3COc4ccccc4O3)C[C@@H]21 ZINC000329648778 437397097 /nfs/dbraw/zinc/39/70/97/437397097.db2.gz FDRDGFQTNNWKMQ-HEHGZKQESA-N 1 2 333.388 0.755 20 30 ECEDLO C[N@H+](CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@H]1O ZINC000330212806 437470462 /nfs/dbraw/zinc/47/04/62/437470462.db2.gz DXCZFISZJZAYEY-IJLUTSLNSA-N 1 2 347.437 0.279 20 30 ECEDLO C[N@@H+](CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@H]1O ZINC000330212806 437470466 /nfs/dbraw/zinc/47/04/66/437470466.db2.gz DXCZFISZJZAYEY-IJLUTSLNSA-N 1 2 347.437 0.279 20 30 ECEDLO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000330257114 437475776 /nfs/dbraw/zinc/47/57/76/437475776.db2.gz LEMFJINJFWVRQX-ZIAGYGMSSA-N 1 2 348.451 0.692 20 30 ECEDLO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000330257114 437475780 /nfs/dbraw/zinc/47/57/80/437475780.db2.gz LEMFJINJFWVRQX-ZIAGYGMSSA-N 1 2 348.451 0.692 20 30 ECEDLO COc1cccc(C(N)=[NH+]OCC(=O)N2CCC[C@H](NC(C)=O)C2)c1 ZINC000268606158 437433803 /nfs/dbraw/zinc/43/38/03/437433803.db2.gz UNUIOGKNDABAAS-AWEZNQCLSA-N 1 2 348.403 0.459 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CC(=O)N([C@@H](C)C2CC2)C2CC2)CC1 ZINC000339029317 437435361 /nfs/dbraw/zinc/43/53/61/437435361.db2.gz MTJVKPVDJHFQIK-HNNXBMFYSA-N 1 2 348.491 0.696 20 30 ECEDLO CN(C)C(=O)c1cccc(NC(=O)CN2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000329974595 437440265 /nfs/dbraw/zinc/44/02/65/437440265.db2.gz XLVXDTOWZUDXKA-HZPDHXFCSA-N 1 2 346.431 0.991 20 30 ECEDLO CN(C)C(=O)c1cccc(NC(=O)CN2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000329974595 437440269 /nfs/dbraw/zinc/44/02/69/437440269.db2.gz XLVXDTOWZUDXKA-HZPDHXFCSA-N 1 2 346.431 0.991 20 30 ECEDLO CN(C)C(=O)c1cccc(NC(=O)C[N@@H+]2C[C@H]3OCCN(C)[C@@H]3C2)c1 ZINC000329974595 437440272 /nfs/dbraw/zinc/44/02/72/437440272.db2.gz XLVXDTOWZUDXKA-HZPDHXFCSA-N 1 2 346.431 0.991 20 30 ECEDLO CN(C)C(=O)c1cccc(NC(=O)C[N@H+]2C[C@H]3OCCN(C)[C@@H]3C2)c1 ZINC000329974595 437440276 /nfs/dbraw/zinc/44/02/76/437440276.db2.gz XLVXDTOWZUDXKA-HZPDHXFCSA-N 1 2 346.431 0.991 20 30 ECEDLO CCN1CCN(C(=O)NCC(=O)N2CCCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330002512 437444827 /nfs/dbraw/zinc/44/48/27/437444827.db2.gz YWYXYLZHIBZGHQ-ZDUSSCGKSA-N 1 2 334.424 0.625 20 30 ECEDLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CCC#N)Cc1ccco1 ZINC000339258747 437450861 /nfs/dbraw/zinc/45/08/61/437450861.db2.gz VUVIOQKHMTWRSD-OAHLLOKOSA-N 1 2 329.360 0.992 20 30 ECEDLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CCC#N)Cc1ccco1 ZINC000339258747 437450869 /nfs/dbraw/zinc/45/08/69/437450869.db2.gz VUVIOQKHMTWRSD-OAHLLOKOSA-N 1 2 329.360 0.992 20 30 ECEDLO CC(C)CN1CCN(C(=O)NCC[NH+]2CCOCC2)[C@@H](C)C1=O ZINC000330175202 437465140 /nfs/dbraw/zinc/46/51/40/437465140.db2.gz IYXFOCDPFKATBF-AWEZNQCLSA-N 1 2 326.441 0.421 20 30 ECEDLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)N(CC)C[C@H](C)C#N)CC1 ZINC000330404106 437502602 /nfs/dbraw/zinc/50/26/02/437502602.db2.gz VRWNRMTUYRGIPX-ZIAGYGMSSA-N 1 2 332.470 0.101 20 30 ECEDLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)N(CC)C[C@H](C)C#N)CC1 ZINC000330404104 437502611 /nfs/dbraw/zinc/50/26/11/437502611.db2.gz VRWNRMTUYRGIPX-KGLIPLIRSA-N 1 2 332.470 0.101 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000330462461 437519003 /nfs/dbraw/zinc/51/90/03/437519003.db2.gz YRYDXJDMHJYWQT-HIFRSBDPSA-N 1 2 344.481 0.302 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000330462461 437519007 /nfs/dbraw/zinc/51/90/07/437519007.db2.gz YRYDXJDMHJYWQT-HIFRSBDPSA-N 1 2 344.481 0.302 20 30 ECEDLO N#CC1CCN(C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000339930992 437521957 /nfs/dbraw/zinc/52/19/57/437521957.db2.gz FJVAWHUDOGNIES-UHFFFAOYSA-N 1 2 325.372 0.755 20 30 ECEDLO C=CCCOCCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000339938707 437524148 /nfs/dbraw/zinc/52/41/48/437524148.db2.gz IZNFRQXKDRVFBN-UHFFFAOYSA-N 1 2 337.424 0.930 20 30 ECEDLO C[C@@H](O)CNc1cc(N2CCN(c3ncccc3C#N)CC2)nc[nH+]1 ZINC000354170409 437548357 /nfs/dbraw/zinc/54/83/57/437548357.db2.gz UCFBVTIRLFWCTG-CYBMUJFWSA-N 1 2 339.403 0.863 20 30 ECEDLO C[C@@H](O)CNc1cc(N2CCN(c3ncccc3C#N)CC2)[nH+]cn1 ZINC000354170409 437548365 /nfs/dbraw/zinc/54/83/65/437548365.db2.gz UCFBVTIRLFWCTG-CYBMUJFWSA-N 1 2 339.403 0.863 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000340102723 437572466 /nfs/dbraw/zinc/57/24/66/437572466.db2.gz SAHHFALXXCXMJL-HNNXBMFYSA-N 1 2 337.464 0.980 20 30 ECEDLO Cc1nc(C)n(C[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO2)n1 ZINC000330665103 437583235 /nfs/dbraw/zinc/58/32/35/437583235.db2.gz VBYXVRRKABSGNV-WFASDCNBSA-N 1 2 334.424 0.356 20 30 ECEDLO Cc1nc(C)n(C[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO2)n1 ZINC000330665103 437583237 /nfs/dbraw/zinc/58/32/37/437583237.db2.gz VBYXVRRKABSGNV-WFASDCNBSA-N 1 2 334.424 0.356 20 30 ECEDLO C[N@@H+]1CCO[C@H](CNC(=O)Nc2cccc(CS(C)(=O)=O)c2)C1 ZINC000330840818 437630918 /nfs/dbraw/zinc/63/09/18/437630918.db2.gz NBKRMZMSBUTDRF-CQSZACIVSA-N 1 2 341.433 0.888 20 30 ECEDLO C[N@H+]1CCO[C@H](CNC(=O)Nc2cccc(CS(C)(=O)=O)c2)C1 ZINC000330840818 437630922 /nfs/dbraw/zinc/63/09/22/437630922.db2.gz NBKRMZMSBUTDRF-CQSZACIVSA-N 1 2 341.433 0.888 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2ncccc2-c2nc(C)no2)CC1 ZINC000361159894 437655904 /nfs/dbraw/zinc/65/59/04/437655904.db2.gz RDVVKQWSWKTYSI-UHFFFAOYSA-N 1 2 342.403 0.864 20 30 ECEDLO C[C@H](CS(C)(=O)=O)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000330965506 437658943 /nfs/dbraw/zinc/65/89/43/437658943.db2.gz QFAIXDOWNUTSFU-DGCLKSJQSA-N 1 2 327.406 0.882 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000330974745 437662478 /nfs/dbraw/zinc/66/24/78/437662478.db2.gz DVOZJEBHJNYCSZ-PBHICJAKSA-N 1 2 332.452 0.985 20 30 ECEDLO C[C@H](O)C[C@H]1COCCN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000330987649 437663829 /nfs/dbraw/zinc/66/38/29/437663829.db2.gz LRSMQFNEKQVMPM-KBPBESRZSA-N 1 2 329.441 0.483 20 30 ECEDLO C[C@H](O)C[C@H]1COCCN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000330987649 437663835 /nfs/dbraw/zinc/66/38/35/437663835.db2.gz LRSMQFNEKQVMPM-KBPBESRZSA-N 1 2 329.441 0.483 20 30 ECEDLO COC(=O)c1cn([C@@H]2CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)nn1 ZINC000355056446 437667526 /nfs/dbraw/zinc/66/75/26/437667526.db2.gz KKBOJWKYUZOFAP-MLGOLLRUSA-N 1 2 348.407 0.366 20 30 ECEDLO COC(=O)c1cn([C@@H]2CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)nn1 ZINC000355056446 437667533 /nfs/dbraw/zinc/66/75/33/437667533.db2.gz KKBOJWKYUZOFAP-MLGOLLRUSA-N 1 2 348.407 0.366 20 30 ECEDLO CCOC(=O)[C@](C)(O)C[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000355081799 437668413 /nfs/dbraw/zinc/66/84/13/437668413.db2.gz TZDOWJHXJKOPOV-RZAIGCCYSA-N 1 2 343.383 0.646 20 30 ECEDLO CCOC(=O)[C@](C)(O)C[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000355081799 437668418 /nfs/dbraw/zinc/66/84/18/437668418.db2.gz TZDOWJHXJKOPOV-RZAIGCCYSA-N 1 2 343.383 0.646 20 30 ECEDLO C=CCOc1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc1OC ZINC000355318428 437696536 /nfs/dbraw/zinc/69/65/36/437696536.db2.gz FIDNAJLKWRAJQD-CYBMUJFWSA-N 1 2 331.372 0.996 20 30 ECEDLO C=CCOc1ccc(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc1OC ZINC000355318428 437696539 /nfs/dbraw/zinc/69/65/39/437696539.db2.gz FIDNAJLKWRAJQD-CYBMUJFWSA-N 1 2 331.372 0.996 20 30 ECEDLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000331219265 437719867 /nfs/dbraw/zinc/71/98/67/437719867.db2.gz APYULXBKZBVMEZ-UHFFFAOYSA-N 1 2 342.446 0.108 20 30 ECEDLO CNS(=O)(=O)c1cc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)c(C)o1 ZINC000331216108 437717885 /nfs/dbraw/zinc/71/78/85/437717885.db2.gz OTZYLPFIAHBEKJ-SNVBAGLBSA-N 1 2 345.421 0.521 20 30 ECEDLO CNS(=O)(=O)c1cc(C(=O)NCC[N@H+]2CCOC[C@H]2C)c(C)o1 ZINC000331216108 437717889 /nfs/dbraw/zinc/71/78/89/437717889.db2.gz OTZYLPFIAHBEKJ-SNVBAGLBSA-N 1 2 345.421 0.521 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000364584394 437816484 /nfs/dbraw/zinc/81/64/84/437816484.db2.gz UBBLELSXEXOLLA-CQSZACIVSA-N 1 2 348.378 0.875 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000364584394 437816489 /nfs/dbraw/zinc/81/64/89/437816489.db2.gz UBBLELSXEXOLLA-CQSZACIVSA-N 1 2 348.378 0.875 20 30 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/nfs/dbraw/zinc/80/07/50/437800750.db2.gz SMORWOOYNFMFEP-UHFFFAOYSA-N 1 2 345.447 0.975 20 30 ECEDLO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000345938857 437800754 /nfs/dbraw/zinc/80/07/54/437800754.db2.gz SMORWOOYNFMFEP-UHFFFAOYSA-N 1 2 345.447 0.975 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](CC(=O)NC3CCOCC3)CC2)cn1 ZINC000370619353 437813220 /nfs/dbraw/zinc/81/32/20/437813220.db2.gz ZCNHTFNINDDOAP-UHFFFAOYSA-N 1 2 329.404 0.370 20 30 ECEDLO CC[C@@H](C)[C@@H](NC(=O)C[NH+]1CCC(C#N)(COC)CC1)C(=O)OC ZINC000341998647 437937889 /nfs/dbraw/zinc/93/78/89/437937889.db2.gz VHUJFPLIRMDPEI-UKRRQHHQSA-N 1 2 339.436 0.942 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000365593259 437938747 /nfs/dbraw/zinc/93/87/47/437938747.db2.gz CLOKCDHXRMIUTI-UHFFFAOYSA-N 1 2 339.439 0.975 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000365593259 437938752 /nfs/dbraw/zinc/93/87/52/437938752.db2.gz CLOKCDHXRMIUTI-UHFFFAOYSA-N 1 2 339.439 0.975 20 30 ECEDLO 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/nfs/dbraw/zinc/08/27/68/438082768.db2.gz BOBDQDRYRGFGFQ-VXGBXAGGSA-N 1 2 331.438 0.286 20 30 ECEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCC(C)(C)C#N ZINC000357906979 438096302 /nfs/dbraw/zinc/09/63/02/438096302.db2.gz FTJKOUFVRFUODI-UHFFFAOYSA-N 1 2 345.403 0.831 20 30 ECEDLO CC#CCCCC(=O)N1C[C@@H](O)[C@@H]([N@H+](CC)Cc2nnc(C)o2)C1 ZINC000372579002 438102255 /nfs/dbraw/zinc/10/22/55/438102255.db2.gz VIQQLEBNKXKDBD-LSDHHAIUSA-N 1 2 334.420 0.965 20 30 ECEDLO CC#CCCCC(=O)N1C[C@@H](O)[C@@H]([N@@H+](CC)Cc2nnc(C)o2)C1 ZINC000372579002 438102256 /nfs/dbraw/zinc/10/22/56/438102256.db2.gz VIQQLEBNKXKDBD-LSDHHAIUSA-N 1 2 334.420 0.965 20 30 ECEDLO Cc1cc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)no1 ZINC000366376123 438062291 /nfs/dbraw/zinc/06/22/91/438062291.db2.gz CWNGPEBCVKWRTO-ZDUSSCGKSA-N 1 2 327.344 1.342 20 30 ECEDLO Cc1cc(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)no1 ZINC000366376123 438062293 /nfs/dbraw/zinc/06/22/93/438062293.db2.gz CWNGPEBCVKWRTO-ZDUSSCGKSA-N 1 2 327.344 1.342 20 30 ECEDLO C=CC[N@@H+](C)CCN(CC)[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000429708319 438105339 /nfs/dbraw/zinc/10/53/39/438105339.db2.gz JVDYZOOFGBNJAD-ZIAGYGMSSA-N 1 2 331.482 0.118 20 30 ECEDLO C=CC[N@H+](C)CCN(CC)[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000429708319 438105343 /nfs/dbraw/zinc/10/53/43/438105343.db2.gz JVDYZOOFGBNJAD-ZIAGYGMSSA-N 1 2 331.482 0.118 20 30 ECEDLO C=CCN1CC[C@H](N(C)C(=O)C2([NH+]3CCN(C)CC3)CCCC2)C1=O ZINC000374050675 438185293 /nfs/dbraw/zinc/18/52/93/438185293.db2.gz LHJAXKVXUUAYTR-INIZCTEOSA-N 1 2 348.491 0.792 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1)C1CC1 ZINC000375514679 438258735 /nfs/dbraw/zinc/25/87/35/438258735.db2.gz ZDJHCWDAXZXJDN-BREBYQMCSA-N 1 2 332.326 0.390 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1)C1CC1 ZINC000375514679 438258737 /nfs/dbraw/zinc/25/87/37/438258737.db2.gz ZDJHCWDAXZXJDN-BREBYQMCSA-N 1 2 332.326 0.390 20 30 ECEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000375769814 438263119 /nfs/dbraw/zinc/26/31/19/438263119.db2.gz RMEIWKPIWAEDMZ-CYBMUJFWSA-N 1 2 333.310 0.976 20 30 ECEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000375769814 438263123 /nfs/dbraw/zinc/26/31/23/438263123.db2.gz RMEIWKPIWAEDMZ-CYBMUJFWSA-N 1 2 333.310 0.976 20 30 ECEDLO CN1C(=O)[C@@H]2C[N@H+](CC(=O)Nc3cccc(C#N)c3)CCN2C1=O ZINC000375863198 438264348 /nfs/dbraw/zinc/26/43/48/438264348.db2.gz WYZROJNNRNXMBG-ZDUSSCGKSA-N 1 2 327.344 0.075 20 30 ECEDLO CN1C(=O)[C@@H]2C[N@@H+](CC(=O)Nc3cccc(C#N)c3)CCN2C1=O ZINC000375863198 438264350 /nfs/dbraw/zinc/26/43/50/438264350.db2.gz WYZROJNNRNXMBG-ZDUSSCGKSA-N 1 2 327.344 0.075 20 30 ECEDLO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000367960001 438271037 /nfs/dbraw/zinc/27/10/37/438271037.db2.gz WVKXUOHVBRDMPU-UHFFFAOYSA-N 1 2 328.463 0.934 20 30 ECEDLO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000367960001 438271043 /nfs/dbraw/zinc/27/10/43/438271043.db2.gz WVKXUOHVBRDMPU-UHFFFAOYSA-N 1 2 328.463 0.934 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000377774982 438327181 /nfs/dbraw/zinc/32/71/81/438327181.db2.gz ZDXHXUSLEIECCE-UHFFFAOYSA-N 1 2 344.481 0.001 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000377774982 438327185 /nfs/dbraw/zinc/32/71/85/438327185.db2.gz ZDXHXUSLEIECCE-UHFFFAOYSA-N 1 2 344.481 0.001 20 30 ECEDLO CN(C)C(=O)C[N@@H+]1CCCN(S(=O)(=O)CCC(C)(C)C#N)CC1 ZINC000377853367 438329024 /nfs/dbraw/zinc/32/90/24/438329024.db2.gz ZKOGGHLHSAFLPD-UHFFFAOYSA-N 1 2 344.481 0.352 20 30 ECEDLO CN(C)C(=O)C[N@H+]1CCCN(S(=O)(=O)CCC(C)(C)C#N)CC1 ZINC000377853367 438329028 /nfs/dbraw/zinc/32/90/28/438329028.db2.gz ZKOGGHLHSAFLPD-UHFFFAOYSA-N 1 2 344.481 0.352 20 30 ECEDLO C[N@@H+]1CCN(C(=O)NCC(=O)NCC#N)C[C@@H]1c1ccccc1Cl ZINC000377045213 438299340 /nfs/dbraw/zinc/29/93/40/438299340.db2.gz JOCIOUHOPBOLTQ-CQSZACIVSA-N 1 2 349.822 0.978 20 30 ECEDLO C[N@H+]1CCN(C(=O)NCC(=O)NCC#N)C[C@@H]1c1ccccc1Cl ZINC000377045213 438299342 /nfs/dbraw/zinc/29/93/42/438299342.db2.gz JOCIOUHOPBOLTQ-CQSZACIVSA-N 1 2 349.822 0.978 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2sccc2COC)CC1 ZINC000378490518 438394493 /nfs/dbraw/zinc/39/44/93/438394493.db2.gz CELXJFSCNBQHIH-UHFFFAOYSA-N 1 2 349.456 0.792 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2sccc2COC)CC1 ZINC000378490518 438394494 /nfs/dbraw/zinc/39/44/94/438394494.db2.gz CELXJFSCNBQHIH-UHFFFAOYSA-N 1 2 349.456 0.792 20 30 ECEDLO CC1(C)C[N@H+](CCNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCO1 ZINC000369218399 438438307 /nfs/dbraw/zinc/43/83/07/438438307.db2.gz IDCGSCWGULFHPI-HNNXBMFYSA-N 1 2 335.452 0.479 20 30 ECEDLO CC1(C)C[N@@H+](CCNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCO1 ZINC000369218399 438438312 /nfs/dbraw/zinc/43/83/12/438438312.db2.gz IDCGSCWGULFHPI-HNNXBMFYSA-N 1 2 335.452 0.479 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000352551434 438439343 /nfs/dbraw/zinc/43/93/43/438439343.db2.gz XUUUYTKAUJHNQU-CHWSQXEVSA-N 1 2 342.465 0.293 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000352551434 438439347 /nfs/dbraw/zinc/43/93/47/438439347.db2.gz XUUUYTKAUJHNQU-CHWSQXEVSA-N 1 2 342.465 0.293 20 30 ECEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000352238340 438402214 /nfs/dbraw/zinc/40/22/14/438402214.db2.gz OHHZANLUTAFKAU-AWEZNQCLSA-N 1 2 333.436 0.915 20 30 ECEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000437993855 438463655 /nfs/dbraw/zinc/46/36/55/438463655.db2.gz FXOAESIUHDHTBM-UONOGXRCSA-N 1 2 338.452 0.559 20 30 ECEDLO CN(C(=O)C[N@@H+]1CCN2C(=O)N(C)C(=O)[C@@H]2C1)C1(C#N)CCCCC1 ZINC000369437295 438475201 /nfs/dbraw/zinc/47/52/01/438475201.db2.gz KIJVDWDRCPSOQZ-ZDUSSCGKSA-N 1 2 347.419 0.249 20 30 ECEDLO CN(C(=O)C[N@H+]1CCN2C(=O)N(C)C(=O)[C@@H]2C1)C1(C#N)CCCCC1 ZINC000369437295 438475204 /nfs/dbraw/zinc/47/52/04/438475204.db2.gz KIJVDWDRCPSOQZ-ZDUSSCGKSA-N 1 2 347.419 0.249 20 30 ECEDLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CCN2C1=O ZINC000369454174 438477332 /nfs/dbraw/zinc/47/73/32/438477332.db2.gz YKGLPXDADCXAPA-LRDDRELGSA-N 1 2 335.408 0.009 20 30 ECEDLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CCN2C1=O ZINC000369454174 438477336 /nfs/dbraw/zinc/47/73/36/438477336.db2.gz YKGLPXDADCXAPA-LRDDRELGSA-N 1 2 335.408 0.009 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408016818 438487723 /nfs/dbraw/zinc/48/77/23/438487723.db2.gz NKTNTEHUEXMVNF-RDBSUJKOSA-N 1 2 330.454 0.118 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408016818 438487727 /nfs/dbraw/zinc/48/77/27/438487727.db2.gz NKTNTEHUEXMVNF-RDBSUJKOSA-N 1 2 330.454 0.118 20 30 ECEDLO CC1(C)C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@@]2(CCOC2)O1 ZINC000369541491 438488767 /nfs/dbraw/zinc/48/87/67/438488767.db2.gz OKRLFXNPTJXINA-QGZVFWFLSA-N 1 2 334.420 0.912 20 30 ECEDLO CC1(C)C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@@]2(CCOC2)O1 ZINC000369541491 438488771 /nfs/dbraw/zinc/48/87/71/438488771.db2.gz OKRLFXNPTJXINA-QGZVFWFLSA-N 1 2 334.420 0.912 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000369907218 438526349 /nfs/dbraw/zinc/52/63/49/438526349.db2.gz WGRUDVFRSHEVSS-CABCVRRESA-N 1 2 335.452 0.033 20 30 ECEDLO Cc1cc(NC(=O)[C@H]2C[N@H+](C)CCO2)nn1-c1cccc(C#N)c1 ZINC000369974595 438535764 /nfs/dbraw/zinc/53/57/64/438535764.db2.gz POGLPMQTOFVPNC-OAHLLOKOSA-N 1 2 325.372 1.322 20 30 ECEDLO Cc1cc(NC(=O)[C@H]2C[N@@H+](C)CCO2)nn1-c1cccc(C#N)c1 ZINC000369974595 438535769 /nfs/dbraw/zinc/53/57/69/438535769.db2.gz POGLPMQTOFVPNC-OAHLLOKOSA-N 1 2 325.372 1.322 20 30 ECEDLO Cc1ccc(N2CC[NH+]([C@@H](C)C(=O)N3CCOCC3)CC2)nc1C#N ZINC000408268049 438548638 /nfs/dbraw/zinc/54/86/38/438548638.db2.gz ISPDNTYGPPAEET-HNNXBMFYSA-N 1 2 343.431 0.631 20 30 ECEDLO CN(C)C(=O)N[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000452015180 438625949 /nfs/dbraw/zinc/62/59/49/438625949.db2.gz NYTQYBXJFWHGII-LSDHHAIUSA-N 1 2 329.404 0.820 20 30 ECEDLO CN(C)C(=O)N[C@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000452015180 438625954 /nfs/dbraw/zinc/62/59/54/438625954.db2.gz NYTQYBXJFWHGII-LSDHHAIUSA-N 1 2 329.404 0.820 20 30 ECEDLO C=CCN(CC=C)C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000554054858 438760722 /nfs/dbraw/zinc/76/07/22/438760722.db2.gz HAMILCPIRCQRIJ-HOTGVXAUSA-N 1 2 335.448 0.947 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ncc2n1CCCC2 ZINC000601023706 438810773 /nfs/dbraw/zinc/81/07/73/438810773.db2.gz KTAQTGHTFOPXKU-UHFFFAOYSA-N 1 2 331.420 0.907 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N2CC[C@](C)(C#N)C2)C1=O ZINC000595580328 438828444 /nfs/dbraw/zinc/82/84/44/438828444.db2.gz PBPZJNWTQWSYAI-CXAGYDPISA-N 1 2 344.419 0.856 20 30 ECEDLO N#CCCCCCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000588370585 438832277 /nfs/dbraw/zinc/83/22/77/438832277.db2.gz BDSXALHXBBZZOD-HNNXBMFYSA-N 1 2 336.436 0.510 20 30 ECEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000588674959 438833399 /nfs/dbraw/zinc/83/33/99/438833399.db2.gz WSBJMBWJXJEELV-KRWDZBQOSA-N 1 2 346.406 0.867 20 30 ECEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000595626885 438836516 /nfs/dbraw/zinc/83/65/16/438836516.db2.gz PTSBILJZMWWOQC-QLFBSQMISA-N 1 2 328.368 0.831 20 30 ECEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000595626885 438836519 /nfs/dbraw/zinc/83/65/19/438836519.db2.gz PTSBILJZMWWOQC-QLFBSQMISA-N 1 2 328.368 0.831 20 30 ECEDLO C=CC[C@H]1CCC[N@H+](CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000595659067 438839720 /nfs/dbraw/zinc/83/97/20/438839720.db2.gz JEGQJSBLLOLDKR-STQMWFEESA-N 1 2 343.449 0.287 20 30 ECEDLO C=CC[C@H]1CCC[N@@H+](CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000595659067 438839726 /nfs/dbraw/zinc/83/97/26/438839726.db2.gz JEGQJSBLLOLDKR-STQMWFEESA-N 1 2 343.449 0.287 20 30 ECEDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N(CCC#N)Cc2ccccn2)C1 ZINC000601336777 438850178 /nfs/dbraw/zinc/85/01/78/438850178.db2.gz LCLXLFXCLPUUTP-HNNXBMFYSA-N 1 2 338.433 0.458 20 30 ECEDLO C[N@H+]1CCO[C@H](CS(=O)(=O)N(CCC#N)Cc2ccccn2)C1 ZINC000601336777 438850184 /nfs/dbraw/zinc/85/01/84/438850184.db2.gz LCLXLFXCLPUUTP-HNNXBMFYSA-N 1 2 338.433 0.458 20 30 ECEDLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccccc1CC#N ZINC000601342758 438853648 /nfs/dbraw/zinc/85/36/48/438853648.db2.gz DLXBXDJLDUYGGY-AWEZNQCLSA-N 1 2 345.428 0.821 20 30 ECEDLO CN(CCC#N)S(=O)(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000601452148 438900531 /nfs/dbraw/zinc/90/05/31/438900531.db2.gz FYMWUCUAXNYCQB-CHWSQXEVSA-N 1 2 330.454 0.166 20 30 ECEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000590120454 438901755 /nfs/dbraw/zinc/90/17/55/438901755.db2.gz QWUSYOBQMRMEGV-ZDUSSCGKSA-N 1 2 328.390 0.372 20 30 ECEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000590120454 438901759 /nfs/dbraw/zinc/90/17/59/438901759.db2.gz QWUSYOBQMRMEGV-ZDUSSCGKSA-N 1 2 328.390 0.372 20 30 ECEDLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000595826353 438869046 /nfs/dbraw/zinc/86/90/46/438869046.db2.gz NKRYUXZPDOUWOF-CQSZACIVSA-N 1 2 334.424 0.330 20 30 ECEDLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000595826353 438869050 /nfs/dbraw/zinc/86/90/50/438869050.db2.gz NKRYUXZPDOUWOF-CQSZACIVSA-N 1 2 334.424 0.330 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000589420083 438870277 /nfs/dbraw/zinc/87/02/77/438870277.db2.gz LCQQYHDIZFCUBR-UHFFFAOYSA-N 1 2 345.384 0.117 20 30 ECEDLO N#Cc1cc2cccnc2nc1N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000596060737 438921237 /nfs/dbraw/zinc/92/12/37/438921237.db2.gz FUHOTWKBZADSRE-UHFFFAOYSA-N 1 2 336.399 0.902 20 30 ECEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2c(C#N)cnn2C)CC1 ZINC000596106461 438925407 /nfs/dbraw/zinc/92/54/07/438925407.db2.gz DBWUNQITVPYIBD-ZDUSSCGKSA-N 1 2 330.436 0.861 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459281714 438953212 /nfs/dbraw/zinc/95/32/12/438953212.db2.gz PGKCYRPRJBWHFV-UHFFFAOYSA-N 1 2 343.387 0.886 20 30 ECEDLO C[N@H+](CCC#N)C[C@H](O)CNCc1ncn(Cc2cccc(F)c2)n1 ZINC000578981571 438969260 /nfs/dbraw/zinc/96/92/60/438969260.db2.gz HNLSTXJQTYUMKG-MRXNPFEDSA-N 1 2 346.410 0.761 20 30 ECEDLO C[N@@H+](CCC#N)C[C@H](O)CNCc1ncn(Cc2cccc(F)c2)n1 ZINC000578981571 438969267 /nfs/dbraw/zinc/96/92/67/438969267.db2.gz HNLSTXJQTYUMKG-MRXNPFEDSA-N 1 2 346.410 0.761 20 30 ECEDLO CN(CCC#N)C[C@H](O)C[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000578981571 438969273 /nfs/dbraw/zinc/96/92/73/438969273.db2.gz HNLSTXJQTYUMKG-MRXNPFEDSA-N 1 2 346.410 0.761 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)c1cccc(CC#N)c1 ZINC000591333842 439005279 /nfs/dbraw/zinc/00/52/79/439005279.db2.gz YSQVKKUGZVAZAX-ZIAGYGMSSA-N 1 2 337.445 0.828 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)c1cccc(CC#N)c1 ZINC000591333842 439005281 /nfs/dbraw/zinc/00/52/81/439005281.db2.gz YSQVKKUGZVAZAX-ZIAGYGMSSA-N 1 2 337.445 0.828 20 30 ECEDLO COC[C@@]1(C(N)=O)CCC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000591646956 439046327 /nfs/dbraw/zinc/04/63/27/439046327.db2.gz JNYKGFAVDNOPFM-QGZVFWFLSA-N 1 2 336.436 0.638 20 30 ECEDLO COC[C@@]1(C(N)=O)CCC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000591646956 439046330 /nfs/dbraw/zinc/04/63/30/439046330.db2.gz JNYKGFAVDNOPFM-QGZVFWFLSA-N 1 2 336.436 0.638 20 30 ECEDLO Cn1c(CC(=O)N[C@](C)(C#N)C[NH+](C)C)nnc1-c1ccccc1 ZINC000519757757 439060183 /nfs/dbraw/zinc/06/01/83/439060183.db2.gz JGNNCTRHXILMSO-QGZVFWFLSA-N 1 2 326.404 0.985 20 30 ECEDLO C[C@H](C(=O)N1CCN(c2ccsc2C#N)CC1)N1CC[NH2+]CC1=O ZINC000602518502 439102974 /nfs/dbraw/zinc/10/29/74/439102974.db2.gz OZAYCKJUZHZYSE-GFCCVEGCSA-N 1 2 347.444 0.089 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000478979596 439112749 /nfs/dbraw/zinc/11/27/49/439112749.db2.gz FXBYCSNLQXSVND-OAHLLOKOSA-N 1 2 332.404 0.460 20 30 ECEDLO CO[C@@H](C[N@H+](CCC#N)CCN1CCOCC1)C1CCOCC1 ZINC000602425585 439084436 /nfs/dbraw/zinc/08/44/36/439084436.db2.gz RJJZZRCNJMLZNM-KRWDZBQOSA-N 1 2 325.453 0.976 20 30 ECEDLO CO[C@@H](C[N@@H+](CCC#N)CCN1CCOCC1)C1CCOCC1 ZINC000602425585 439084442 /nfs/dbraw/zinc/08/44/42/439084442.db2.gz RJJZZRCNJMLZNM-KRWDZBQOSA-N 1 2 325.453 0.976 20 30 ECEDLO CO[C@@H](CN(CCC#N)CC[NH+]1CCOCC1)C1CCOCC1 ZINC000602425585 439084448 /nfs/dbraw/zinc/08/44/48/439084448.db2.gz RJJZZRCNJMLZNM-KRWDZBQOSA-N 1 2 325.453 0.976 20 30 ECEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000592149139 439167359 /nfs/dbraw/zinc/16/73/59/439167359.db2.gz JIFQCLVSRRIRTN-MRXNPFEDSA-N 1 2 346.343 0.414 20 30 ECEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000592149139 439167363 /nfs/dbraw/zinc/16/73/63/439167363.db2.gz JIFQCLVSRRIRTN-MRXNPFEDSA-N 1 2 346.343 0.414 20 30 ECEDLO COCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592149085 439167815 /nfs/dbraw/zinc/16/78/15/439167815.db2.gz IOKRLFKQLTXFHH-SFHVURJKSA-N 1 2 347.415 0.678 20 30 ECEDLO COCCOc1cccc(CNC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592149085 439167821 /nfs/dbraw/zinc/16/78/21/439167821.db2.gz IOKRLFKQLTXFHH-SFHVURJKSA-N 1 2 347.415 0.678 20 30 ECEDLO CO[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@](C)(CO)C1 ZINC000602963419 439172417 /nfs/dbraw/zinc/17/24/17/439172417.db2.gz FRPPYWFFQXPNIH-GOEBONIOSA-N 1 2 338.429 0.804 20 30 ECEDLO CO[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@](C)(CO)C1 ZINC000602963419 439172423 /nfs/dbraw/zinc/17/24/23/439172423.db2.gz FRPPYWFFQXPNIH-GOEBONIOSA-N 1 2 338.429 0.804 20 30 ECEDLO C[C@@H]1C[NH+](CC(=O)NCCCN2CCCC2=O)C[C@@H](C)N1CC#N ZINC000602857610 439143885 /nfs/dbraw/zinc/14/38/85/439143885.db2.gz UCHXQHAITPTOMK-HUUCEWRRSA-N 1 2 335.452 0.033 20 30 ECEDLO Cn1cc([N+](=O)[O-])cc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000522193301 439145582 /nfs/dbraw/zinc/14/55/82/439145582.db2.gz YKXHGAXMZMYNCH-UHFFFAOYSA-N 1 2 335.364 0.621 20 30 ECEDLO Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)n1C ZINC000602939155 439164444 /nfs/dbraw/zinc/16/44/44/439164444.db2.gz ALICEOYLOMLJRN-GUYCJALGSA-N 1 2 347.467 0.689 20 30 ECEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000592149253 439166226 /nfs/dbraw/zinc/16/62/26/439166226.db2.gz LMBWWPUTTQFVAO-MRXNPFEDSA-N 1 2 330.344 0.834 20 30 ECEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000592149253 439166232 /nfs/dbraw/zinc/16/62/32/439166232.db2.gz LMBWWPUTTQFVAO-MRXNPFEDSA-N 1 2 330.344 0.834 20 30 ECEDLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1 ZINC000489431499 439225249 /nfs/dbraw/zinc/22/52/49/439225249.db2.gz SZTBBESTCWDAGO-UHFFFAOYSA-N 1 2 341.408 0.775 20 30 ECEDLO C[N@H+](CC(=O)N1CCN(c2cnccn2)CC1)[C@H]1CCC[C@H]1C#N ZINC000602979930 439174629 /nfs/dbraw/zinc/17/46/29/439174629.db2.gz JFOFKDMIWUSBRE-GJZGRUSLSA-N 1 2 328.420 0.749 20 30 ECEDLO C[N@@H+](CC(=O)N1CCN(c2cnccn2)CC1)[C@H]1CCC[C@H]1C#N ZINC000602979930 439174637 /nfs/dbraw/zinc/17/46/37/439174637.db2.gz JFOFKDMIWUSBRE-GJZGRUSLSA-N 1 2 328.420 0.749 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000603007023 439183003 /nfs/dbraw/zinc/18/30/03/439183003.db2.gz VIUXTCCHVGRFOX-AWEZNQCLSA-N 1 2 346.431 0.910 20 30 ECEDLO N#CC[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000597910961 439197401 /nfs/dbraw/zinc/19/74/01/439197401.db2.gz DKQPEVZWWVXQAI-CVEARBPZSA-N 1 2 348.447 0.319 20 30 ECEDLO CNS(=O)(=O)CC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000598584957 439280516 /nfs/dbraw/zinc/28/05/16/439280516.db2.gz KXNKJQYMRWTYGW-UHFFFAOYSA-N 1 2 326.397 0.369 20 30 ECEDLO COc1cccc(-n2cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nn2)c1 ZINC000568518899 439256336 /nfs/dbraw/zinc/25/63/36/439256336.db2.gz RUHXHJFQZFQMDW-INIZCTEOSA-N 1 2 328.376 0.850 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CSCc2cccc(C(N)=O)n2)CC1 ZINC000490935519 439314988 /nfs/dbraw/zinc/31/49/88/439314988.db2.gz NNMLJTNEUSOLBD-UHFFFAOYSA-N 1 2 332.429 0.191 20 30 ECEDLO C#CCN(CC#N)C(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000490963549 439317960 /nfs/dbraw/zinc/31/79/60/439317960.db2.gz VVRZUCBMWWICCQ-UHFFFAOYSA-N 1 2 333.413 0.621 20 30 ECEDLO C#C[C@@H](NC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)C(C)C ZINC000490962085 439318823 /nfs/dbraw/zinc/31/88/23/439318823.db2.gz MDYVRVPGATTXPR-JKSUJKDBSA-N 1 2 334.464 0.982 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\c2scnc2C)CC1 ZINC000491038131 439322862 /nfs/dbraw/zinc/32/28/62/439322862.db2.gz HMBBXATVNOURAX-WAYWQWQTSA-N 1 2 346.456 0.748 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\c2scnc2C)CC1 ZINC000491038131 439322868 /nfs/dbraw/zinc/32/28/68/439322868.db2.gz HMBBXATVNOURAX-WAYWQWQTSA-N 1 2 346.456 0.748 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(C(=O)OC)cc2OC)CC1 ZINC000491036746 439323067 /nfs/dbraw/zinc/32/30/67/439323067.db2.gz ASFCQNNUXVGKOA-UHFFFAOYSA-N 1 2 345.399 0.671 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cncc(-c3ccccc3)c2=O)CC1 ZINC000491045610 439326373 /nfs/dbraw/zinc/32/63/73/439326373.db2.gz LWJMADQVMPAQOM-UHFFFAOYSA-N 1 2 336.395 0.688 20 30 ECEDLO C#CCn1ccc(CN(CCOC)c2[nH+]cnc3c2cnn3C)n1 ZINC000491145870 439336613 /nfs/dbraw/zinc/33/66/13/439336613.db2.gz MUAGFKAYDNEVNF-UHFFFAOYSA-N 1 2 325.376 0.846 20 30 ECEDLO C#CCNC(=O)CN1CCN(c2nc(C3CC3)[nH+]c3c2CCC3)CC1 ZINC000491127135 439337028 /nfs/dbraw/zinc/33/70/28/439337028.db2.gz VLIKGIAZKIQXHY-UHFFFAOYSA-N 1 2 339.443 0.714 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2nnc(-c3cccc(F)c3)n2)CC1 ZINC000490761015 439296035 /nfs/dbraw/zinc/29/60/35/439296035.db2.gz QRZSWGUKJGCDHH-UHFFFAOYSA-N 1 2 328.351 0.257 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2nnc3sc(C)c(C)c3c2=O)CC1 ZINC000490850466 439303063 /nfs/dbraw/zinc/30/30/63/439303063.db2.gz BETZNQDCIDCXOW-UHFFFAOYSA-N 1 2 345.428 0.247 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2cn(-c3ccccc3)nn2)CC1 ZINC000491210628 439350926 /nfs/dbraw/zinc/35/09/26/439350926.db2.gz WWVBXOBNSUKCOD-UHFFFAOYSA-N 1 2 338.415 0.134 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000491241079 439353605 /nfs/dbraw/zinc/35/36/05/439353605.db2.gz GQPGCZOQWYGBAI-UONOGXRCSA-N 1 2 325.430 0.842 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000491241079 439353610 /nfs/dbraw/zinc/35/36/10/439353610.db2.gz GQPGCZOQWYGBAI-UONOGXRCSA-N 1 2 325.430 0.842 20 30 ECEDLO COCCOCC[NH+]1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000593517292 439392082 /nfs/dbraw/zinc/39/20/82/439392082.db2.gz ITTZSOPUTUOZFX-UHFFFAOYSA-N 1 2 335.364 0.646 20 30 ECEDLO C[C@H](CNS(=O)(=O)c1ccsc1C#N)C[NH+]1CCOCC1 ZINC000593548639 439401455 /nfs/dbraw/zinc/40/14/55/439401455.db2.gz PZEKRPLIXDCFPR-LLVKDONJSA-N 1 2 329.447 0.866 20 30 ECEDLO Cc1ccc(C[NH+]2CCN(C(=O)CN3CCOCC3)CC2)cc1C#N ZINC000599252946 439402587 /nfs/dbraw/zinc/40/25/87/439402587.db2.gz YBBZSXJRSDZOFP-UHFFFAOYSA-N 1 2 342.443 0.843 20 30 ECEDLO CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(C)c(C#N)c1 ZINC000599257264 439403816 /nfs/dbraw/zinc/40/38/16/439403816.db2.gz KXGJFZOYHIBQCL-MRXNPFEDSA-N 1 2 349.456 0.992 20 30 ECEDLO CC[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(C)c(C#N)c1 ZINC000599257264 439403819 /nfs/dbraw/zinc/40/38/19/439403819.db2.gz KXGJFZOYHIBQCL-MRXNPFEDSA-N 1 2 349.456 0.992 20 30 ECEDLO C#C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)(C)C ZINC000491630031 439414502 /nfs/dbraw/zinc/41/45/02/439414502.db2.gz WTNUBHALKMMMII-GJZGRUSLSA-N 1 2 335.448 0.331 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2(COC)CCCC2)CC1 ZINC000491635154 439417248 /nfs/dbraw/zinc/41/72/48/439417248.db2.gz VUQOOJXBOYOTLY-UHFFFAOYSA-N 1 2 335.448 0.477 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(COC)CCCC2)CC1 ZINC000491635154 439417253 /nfs/dbraw/zinc/41/72/53/439417253.db2.gz VUQOOJXBOYOTLY-UHFFFAOYSA-N 1 2 335.448 0.477 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2[nH]ccc2C2CC2)CC1 ZINC000491697751 439428433 /nfs/dbraw/zinc/42/84/33/439428433.db2.gz QHNLEGUOZNMAKT-UHFFFAOYSA-N 1 2 328.416 0.789 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2[nH]ccc2C2CC2)CC1 ZINC000491697751 439428438 /nfs/dbraw/zinc/42/84/38/439428438.db2.gz QHNLEGUOZNMAKT-UHFFFAOYSA-N 1 2 328.416 0.789 20 30 ECEDLO C#CCNS(=O)(=O)c1ccc(C(=O)NCc2[nH+]ccn2CC)cc1 ZINC000491695398 439428555 /nfs/dbraw/zinc/42/85/55/439428555.db2.gz XNLWASPWOCKREO-UHFFFAOYSA-N 1 2 346.412 0.745 20 30 ECEDLO C#CCN(C)c1cnc(-c2noc([C@H]3C[N@H+](CC)CCO3)n2)cn1 ZINC000491700411 439429729 /nfs/dbraw/zinc/42/97/29/439429729.db2.gz KGAFHQKDCBRKML-CYBMUJFWSA-N 1 2 328.376 0.989 20 30 ECEDLO C#CCN(C)c1cnc(-c2noc([C@H]3C[N@@H+](CC)CCO3)n2)cn1 ZINC000491700411 439429732 /nfs/dbraw/zinc/42/97/32/439429732.db2.gz KGAFHQKDCBRKML-CYBMUJFWSA-N 1 2 328.376 0.989 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(c2ncnc3c(F)cccc32)CC1 ZINC000491701770 439431151 /nfs/dbraw/zinc/43/11/51/439431151.db2.gz VDYNXMYOLWXVCK-UHFFFAOYSA-N 1 2 327.363 0.640 20 30 ECEDLO COC(=O)[C@H](COC(C)C)[N@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599322024 439432446 /nfs/dbraw/zinc/43/24/46/439432446.db2.gz WYJHYGUXFCRWQL-CABCVRRESA-N 1 2 342.436 0.956 20 30 ECEDLO COC(=O)[C@H](COC(C)C)[N@@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599322024 439432451 /nfs/dbraw/zinc/43/24/51/439432451.db2.gz WYJHYGUXFCRWQL-CABCVRRESA-N 1 2 342.436 0.956 20 30 ECEDLO C#C[C@@H](C)N(C)S(=O)(=O)CCCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000491811819 439455718 /nfs/dbraw/zinc/45/57/18/439455718.db2.gz MPCOMGOWECYICD-LLVKDONJSA-N 1 2 348.450 0.215 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2Cc3ccc(C(C)=O)cc3C2)CC1 ZINC000491727940 439437522 /nfs/dbraw/zinc/43/75/22/439437522.db2.gz COOLBTUCHSRDAI-UHFFFAOYSA-N 1 2 325.412 0.982 20 30 ECEDLO COCCOCC[NH+]1CCN(S(=O)(=O)CCCCC#N)CC1 ZINC000593666398 439443506 /nfs/dbraw/zinc/44/35/06/439443506.db2.gz NHJWBQSGARROKU-UHFFFAOYSA-N 1 2 333.454 0.291 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)nn1 ZINC000529750973 439448820 /nfs/dbraw/zinc/44/88/20/439448820.db2.gz IIAOSIXTBVSHBT-KRWDZBQOSA-N 1 2 349.435 0.200 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)nn1 ZINC000529750973 439448825 /nfs/dbraw/zinc/44/88/25/439448825.db2.gz IIAOSIXTBVSHBT-KRWDZBQOSA-N 1 2 349.435 0.200 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN([C@H](C)C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000491789675 439451916 /nfs/dbraw/zinc/45/19/16/439451916.db2.gz ZRVSVSAKJPSLLP-OAHLLOKOSA-N 1 2 349.475 0.958 20 30 ECEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC000599380227 439452410 /nfs/dbraw/zinc/45/24/10/439452410.db2.gz RCYJXYREBPOBOZ-LZWOXQAQSA-N 1 2 334.372 0.296 20 30 ECEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1C[C@H](O)COc1ccccc1C#N ZINC000599380227 439452414 /nfs/dbraw/zinc/45/24/14/439452414.db2.gz RCYJXYREBPOBOZ-LZWOXQAQSA-N 1 2 334.372 0.296 20 30 ECEDLO COC(=O)C[C@@H]1COCC[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC000599418665 439464651 /nfs/dbraw/zinc/46/46/51/439464651.db2.gz JYGNQIIDZZEPSX-CABCVRRESA-N 1 2 334.372 0.562 20 30 ECEDLO COC(=O)C[C@@H]1COCC[N@H+]1C[C@H](O)COc1ccccc1C#N ZINC000599418665 439464658 /nfs/dbraw/zinc/46/46/58/439464658.db2.gz JYGNQIIDZZEPSX-CABCVRRESA-N 1 2 334.372 0.562 20 30 ECEDLO N#Cc1cccc(CNC(=O)CN2CC[NH+](Cc3cn[nH]c3)CC2)c1 ZINC000599440122 439468720 /nfs/dbraw/zinc/46/87/20/439468720.db2.gz GNUMHRXYCKQJJW-UHFFFAOYSA-N 1 2 338.415 0.715 20 30 ECEDLO N#Cc1cccc(CNC(=O)C[NH+]2CCN(Cc3cn[nH]c3)CC2)c1 ZINC000599440122 439468727 /nfs/dbraw/zinc/46/87/27/439468727.db2.gz GNUMHRXYCKQJJW-UHFFFAOYSA-N 1 2 338.415 0.715 20 30 ECEDLO C[C@H](NC[C@@H](O)C[N@H+](C)CCC#N)c1nnnn1-c1ccccc1 ZINC000571040092 439471048 /nfs/dbraw/zinc/47/10/48/439471048.db2.gz RSZKWEGGWQRWDG-DZGCQCFKSA-N 1 2 329.408 0.519 20 30 ECEDLO C[C@H](NC[C@@H](O)C[N@@H+](C)CCC#N)c1nnnn1-c1ccccc1 ZINC000571040092 439471052 /nfs/dbraw/zinc/47/10/52/439471052.db2.gz RSZKWEGGWQRWDG-DZGCQCFKSA-N 1 2 329.408 0.519 20 30 ECEDLO C[C@@H](NC[C@@H](O)C[N@H+](C)CCC#N)c1nnnn1-c1ccccc1 ZINC000571040094 439471285 /nfs/dbraw/zinc/47/12/85/439471285.db2.gz RSZKWEGGWQRWDG-UKRRQHHQSA-N 1 2 329.408 0.519 20 30 ECEDLO C[C@@H](NC[C@@H](O)C[N@@H+](C)CCC#N)c1nnnn1-c1ccccc1 ZINC000571040094 439471290 /nfs/dbraw/zinc/47/12/90/439471290.db2.gz RSZKWEGGWQRWDG-UKRRQHHQSA-N 1 2 329.408 0.519 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCC1)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000530333052 439498368 /nfs/dbraw/zinc/49/83/68/439498368.db2.gz OMRODDIPSFMIKC-UONOGXRCSA-N 1 2 347.463 0.222 20 30 ECEDLO COCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C[C@@H](O)C(F)(F)F ZINC000594018509 439505977 /nfs/dbraw/zinc/50/59/77/439505977.db2.gz YFFXVOGSZMRQTN-DGCLKSJQSA-N 1 2 339.358 0.912 20 30 ECEDLO COCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C[C@@H](O)C(F)(F)F ZINC000594018509 439505982 /nfs/dbraw/zinc/50/59/82/439505982.db2.gz YFFXVOGSZMRQTN-DGCLKSJQSA-N 1 2 339.358 0.912 20 30 ECEDLO C=CCNC(=O)Nc1ccc(NC(=O)CN2CC[NH2+]CC2=O)cc1 ZINC000583869211 439520450 /nfs/dbraw/zinc/52/04/50/439520450.db2.gz BKSPEOCCUVZWQT-UHFFFAOYSA-N 1 2 331.376 0.364 20 30 ECEDLO C[C@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)NC(N)=O ZINC000594210639 439526341 /nfs/dbraw/zinc/52/63/41/439526341.db2.gz BCGJVVZTUJFJCP-CYBMUJFWSA-N 1 2 329.404 0.649 20 30 ECEDLO Cc1cc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)ncc1C#N ZINC000594286743 439535497 /nfs/dbraw/zinc/53/54/97/439535497.db2.gz UHHLKBWWYNEMIK-LBPRGKRZSA-N 1 2 331.376 0.037 20 30 ECEDLO Cc1nc(S(=O)(=O)N2CC[NH+]([C@@H](C)CCC#N)CC2)cn1C ZINC000584235135 439566265 /nfs/dbraw/zinc/56/62/65/439566265.db2.gz ITTVAEIVSTWSOB-LBPRGKRZSA-N 1 2 325.438 0.727 20 30 ECEDLO C[C@H](CNS(=O)(=O)c1cncc(C#N)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471343 439566619 /nfs/dbraw/zinc/56/66/19/439566619.db2.gz CVZUOWZESOQBBV-UPJWGTAASA-N 1 2 338.433 0.729 20 30 ECEDLO C[C@H](CNS(=O)(=O)c1cncc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471343 439566623 /nfs/dbraw/zinc/56/66/23/439566623.db2.gz CVZUOWZESOQBBV-UPJWGTAASA-N 1 2 338.433 0.729 20 30 ECEDLO CC(C)Nc1nc(N2Cc3ccc(C#N)cc3C2)nc(NCCO)[nH+]1 ZINC000594604541 439580664 /nfs/dbraw/zinc/58/06/64/439580664.db2.gz UPMUFYXQWFNGND-UHFFFAOYSA-N 1 2 339.403 0.332 20 30 ECEDLO CC(C)Nc1nc(NCCO)[nH+]c(N2Cc3ccc(C#N)cc3C2)n1 ZINC000594604541 439580680 /nfs/dbraw/zinc/58/06/80/439580680.db2.gz UPMUFYXQWFNGND-UHFFFAOYSA-N 1 2 339.403 0.332 20 30 ECEDLO COc1ccnc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)n1 ZINC000572953210 439618096 /nfs/dbraw/zinc/61/80/96/439618096.db2.gz DBPRRAJZHYBDQM-UHFFFAOYSA-N 1 2 333.373 0.315 20 30 ECEDLO CCN1C(=O)[C@@H]2C[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CCN2C1=O ZINC000610605685 439630363 /nfs/dbraw/zinc/63/03/63/439630363.db2.gz TWINEOQXRMYREO-IGCXYCKISA-N 1 2 349.435 0.398 20 30 ECEDLO CCN1C(=O)[C@@H]2C[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CCN2C1=O ZINC000610605685 439630365 /nfs/dbraw/zinc/63/03/65/439630365.db2.gz TWINEOQXRMYREO-IGCXYCKISA-N 1 2 349.435 0.398 20 30 ECEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604643 439631274 /nfs/dbraw/zinc/63/12/74/439631274.db2.gz YLFZHUDJQDCMAR-WQVCFCJDSA-N 1 2 335.379 0.888 20 30 ECEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604643 439631275 /nfs/dbraw/zinc/63/12/75/439631275.db2.gz YLFZHUDJQDCMAR-WQVCFCJDSA-N 1 2 335.379 0.888 20 30 ECEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2cc3n(n2)CCC3)c1=O ZINC000594897683 439640851 /nfs/dbraw/zinc/64/08/51/439640851.db2.gz QGQBTXYJTRYFKD-UHFFFAOYSA-N 1 2 339.399 0.743 20 30 ECEDLO Cc1cn2ccc(NC(=O)C(=O)N3CC[C@@](O)(CC#N)C3)cc2[nH+]1 ZINC000595045283 439650517 /nfs/dbraw/zinc/65/05/17/439650517.db2.gz SUCIEIIOLMTXJI-INIZCTEOSA-N 1 2 327.344 0.458 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)cc1F ZINC000573547780 439651580 /nfs/dbraw/zinc/65/15/80/439651580.db2.gz KUQALUGZEJEGLO-NWDGAFQWSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)cc1F ZINC000573547780 439651583 /nfs/dbraw/zinc/65/15/83/439651583.db2.gz KUQALUGZEJEGLO-NWDGAFQWSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cc2F)[C@H](C)CO1 ZINC000595127070 439658884 /nfs/dbraw/zinc/65/88/84/439658884.db2.gz ZBRCCWMDXGEEEH-VXGBXAGGSA-N 1 2 348.378 0.861 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cc2F)[C@H](C)CO1 ZINC000595127070 439658888 /nfs/dbraw/zinc/65/88/88/439658888.db2.gz ZBRCCWMDXGEEEH-VXGBXAGGSA-N 1 2 348.378 0.861 20 30 ECEDLO C[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cc2F)[C@@H](C)CO1 ZINC000595127069 439658941 /nfs/dbraw/zinc/65/89/41/439658941.db2.gz ZBRCCWMDXGEEEH-RYUDHWBXSA-N 1 2 348.378 0.861 20 30 ECEDLO C[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cc2F)[C@@H](C)CO1 ZINC000595127069 439658945 /nfs/dbraw/zinc/65/89/45/439658945.db2.gz ZBRCCWMDXGEEEH-RYUDHWBXSA-N 1 2 348.378 0.861 20 30 ECEDLO N#Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(F)c1 ZINC000586861978 439664602 /nfs/dbraw/zinc/66/46/02/439664602.db2.gz FUDQRPIITLEURC-CYBMUJFWSA-N 1 2 341.346 0.641 20 30 ECEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000611552146 439705487 /nfs/dbraw/zinc/70/54/87/439705487.db2.gz QJGOGIORPNNZAU-OAHLLOKOSA-N 1 2 345.378 0.560 20 30 ECEDLO N#CCCN1CC[NH+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000611174082 439678242 /nfs/dbraw/zinc/67/82/42/439678242.db2.gz CZVIJLWCIKSKBT-OAHLLOKOSA-N 1 2 344.415 0.474 20 30 ECEDLO COCCN1CC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CC1=O ZINC000611259532 439684676 /nfs/dbraw/zinc/68/46/76/439684676.db2.gz MQXIZUHOMPQCGQ-INIZCTEOSA-N 1 2 347.415 0.283 20 30 ECEDLO COCCN1CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CC1=O ZINC000611259532 439684681 /nfs/dbraw/zinc/68/46/81/439684681.db2.gz MQXIZUHOMPQCGQ-INIZCTEOSA-N 1 2 347.415 0.283 20 30 ECEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000611302690 439688304 /nfs/dbraw/zinc/68/83/04/439688304.db2.gz YLOXXBJIWKARPF-ZDUSSCGKSA-N 1 2 325.409 0.791 20 30 ECEDLO CN(CCC#N)C(=O)CC[N@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000611302690 439688308 /nfs/dbraw/zinc/68/83/08/439688308.db2.gz YLOXXBJIWKARPF-ZDUSSCGKSA-N 1 2 325.409 0.791 20 30 ECEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCSC[C@@H]2C(N)=O)cc1 ZINC000611350052 439693639 /nfs/dbraw/zinc/69/36/39/439693639.db2.gz XXVORPBGQYIBQE-DZGCQCFKSA-N 1 2 335.429 0.395 20 30 ECEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCSC[C@@H]2C(N)=O)cc1 ZINC000611350052 439693641 /nfs/dbraw/zinc/69/36/41/439693641.db2.gz XXVORPBGQYIBQE-DZGCQCFKSA-N 1 2 335.429 0.395 20 30 ECEDLO N#Cc1ccc(CC[NH+]2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cc1 ZINC000595454657 439729583 /nfs/dbraw/zinc/72/95/83/439729583.db2.gz MQYZXVVTRSWEOP-UHFFFAOYSA-N 1 2 345.428 0.830 20 30 ECEDLO C=CCOCCCNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612037547 439744770 /nfs/dbraw/zinc/74/47/70/439744770.db2.gz OMWXKVRHBKBUST-SOUVJXGZSA-N 1 2 341.452 0.309 20 30 ECEDLO C=CCOCCCNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612037547 439744771 /nfs/dbraw/zinc/74/47/71/439744771.db2.gz OMWXKVRHBKBUST-SOUVJXGZSA-N 1 2 341.452 0.309 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000614661836 439783890 /nfs/dbraw/zinc/78/38/90/439783890.db2.gz VCHWFYHYIYTQBM-HOCLYGCPSA-N 1 2 348.447 0.628 20 30 ECEDLO CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000646953195 439946188 /nfs/dbraw/zinc/94/61/88/439946188.db2.gz XMCXAFDIKLMKRI-ZDUSSCGKSA-N 1 2 328.372 0.711 20 30 ECEDLO C=CC[C@H]1CCCN(C(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000658678862 440064071 /nfs/dbraw/zinc/06/40/71/440064071.db2.gz ZRNJGCVRUGNPTP-HOTGVXAUSA-N 1 2 337.464 0.980 20 30 ECEDLO Cc1cc(S(=O)(=O)N2CC[N@H+](CCO)C(C)(C)C2)ccc1C#N ZINC000618178850 440066552 /nfs/dbraw/zinc/06/65/52/440066552.db2.gz FOWFHAWQTWGQIN-UHFFFAOYSA-N 1 2 337.445 0.944 20 30 ECEDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](CCO)C(C)(C)C2)ccc1C#N ZINC000618178850 440066558 /nfs/dbraw/zinc/06/65/58/440066558.db2.gz FOWFHAWQTWGQIN-UHFFFAOYSA-N 1 2 337.445 0.944 20 30 ECEDLO C=C(C)CN(CC)C(=O)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000632347509 440180635 /nfs/dbraw/zinc/18/06/35/440180635.db2.gz QKYINTNTEAXFOH-UHFFFAOYSA-N 1 2 345.447 0.588 20 30 ECEDLO C=C(C)[C@@H](CO)[NH+]1CCN(S(=O)(=O)NCc2ccccc2)CC1 ZINC000649723682 440533575 /nfs/dbraw/zinc/53/35/75/440533575.db2.gz XVQOJSPTKYHBIV-MRXNPFEDSA-N 1 2 339.461 0.576 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000644844496 440701687 /nfs/dbraw/zinc/70/16/87/440701687.db2.gz ZSRRMCIIJXVPFR-HIFRSBDPSA-N 1 2 332.404 0.631 20 30 ECEDLO C=CCn1cc(CNC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)nn1 ZINC000645037638 440734135 /nfs/dbraw/zinc/73/41/35/440734135.db2.gz KDJBLXNDOJJQNB-UHFFFAOYSA-N 1 2 342.407 0.594 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2ncnc3[nH]c(C)c(C)c32)CC1 ZINC000645105207 440748376 /nfs/dbraw/zinc/74/83/76/440748376.db2.gz XFHKXYQXIIMTTH-UHFFFAOYSA-N 1 2 328.420 0.999 20 30 ECEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(S(=O)(=O)N(C)C)cc2)nn1 ZINC000641117047 441059930 /nfs/dbraw/zinc/05/99/30/441059930.db2.gz YBNJURJHALBXMW-UHFFFAOYSA-N 1 2 347.444 0.690 20 30 ECEDLO COc1cc(C#N)ccc1NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000546712056 322120377 /nfs/dbraw/zinc/12/03/77/322120377.db2.gz UKPSUOKVJRROQU-LLVKDONJSA-N 1 2 327.344 0.907 20 30 ECEDLO N#Cc1cnc2ccccc2c1N1CC[NH+]([C@H]2CC(=O)NC2=O)CC1 ZINC000563348359 322309727 /nfs/dbraw/zinc/30/97/27/322309727.db2.gz JRZIRUBOSPQXEL-HNNXBMFYSA-N 1 2 335.367 0.644 20 30 ECEDLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCCOCC1 ZINC000330330116 518202393 /nfs/dbraw/zinc/20/23/93/518202393.db2.gz WUZFSXHDZMBOEM-CABCVRRESA-N 1 2 339.436 0.693 20 30 ECEDLO N#Cc1ccc(N2CCC[C@H]([NH+]3CCN(CC(N)=O)CC3)C2=O)cc1 ZINC000182620191 534790787 /nfs/dbraw/zinc/79/07/87/534790787.db2.gz XIYQFYQYHYEQED-INIZCTEOSA-N 1 2 341.415 0.157 20 30 ECEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccnc(C#N)c2)CC1 ZINC000193249955 535429941 /nfs/dbraw/zinc/42/99/41/535429941.db2.gz HQNUHHHWUMOTHK-UHFFFAOYSA-N 1 2 343.431 0.970 20 30 ECEDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2ccnc(C#N)c2)CC1 ZINC000193249955 535429946 /nfs/dbraw/zinc/42/99/46/535429946.db2.gz HQNUHHHWUMOTHK-UHFFFAOYSA-N 1 2 343.431 0.970 20 30 ECEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCC(=O)N3CCCC3)C2)CC1 ZINC000329192886 546016488 /nfs/dbraw/zinc/01/64/88/546016488.db2.gz TUDDALYWOOXBSQ-HNNXBMFYSA-N 1 2 337.468 0.235 20 30 ECEDLO Cc1nsc(N2CC[NH+](C[C@@H](O)CN3CCCC3=O)CC2)c1C#N ZINC000329864290 546035857 /nfs/dbraw/zinc/03/58/57/546035857.db2.gz ZPFSBPXLFTXQOV-CYBMUJFWSA-N 1 2 349.460 0.429 20 30 ECEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N2C[C@H](O)C[C@@H]2C)nc[nH+]1 ZINC000329905757 546036281 /nfs/dbraw/zinc/03/62/81/546036281.db2.gz AXJKKCPBOUNFNC-YNEHKIRRSA-N 1 2 334.424 0.856 20 30 ECEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N2C[C@H](O)C[C@@H]2C)[nH+]cn1 ZINC000329905757 546036284 /nfs/dbraw/zinc/03/62/84/546036284.db2.gz AXJKKCPBOUNFNC-YNEHKIRRSA-N 1 2 334.424 0.856 20 30 ECEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000438450564 546227224 /nfs/dbraw/zinc/22/72/24/546227224.db2.gz FTTWSKUJVOIJTL-JKSUJKDBSA-N 1 2 341.452 0.304 20 30 ECEDLO C=CC[N@@H+](C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000440290415 546229274 /nfs/dbraw/zinc/22/92/74/546229274.db2.gz BQWVXCGQPFJHEI-XUWVNRHRSA-N 1 2 346.493 0.132 20 30 ECEDLO C=CC[N@H+](C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000440290415 546229279 /nfs/dbraw/zinc/22/92/79/546229279.db2.gz BQWVXCGQPFJHEI-XUWVNRHRSA-N 1 2 346.493 0.132 20 30 ECEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CC(O)(CC#N)C1)CC2 ZINC000619444173 546327459 /nfs/dbraw/zinc/32/74/59/546327459.db2.gz PFJZDEGVANWVKN-UHFFFAOYSA-N 1 2 345.399 0.549 20 30 ECEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CC(O)(CC#N)C1)CC2 ZINC000619444173 546327461 /nfs/dbraw/zinc/32/74/61/546327461.db2.gz PFJZDEGVANWVKN-UHFFFAOYSA-N 1 2 345.399 0.549 20 30 ECEDLO C[C@H](C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)n1cnc(C#N)n1 ZINC000619593639 546344721 /nfs/dbraw/zinc/34/47/21/546344721.db2.gz RBBPCIITZXLPEF-KGLIPLIRSA-N 1 2 332.408 0.424 20 30 ECEDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 ZINC000619712684 546361634 /nfs/dbraw/zinc/36/16/34/546361634.db2.gz CEYOPWDFBJPTMO-ZFWWWQNUSA-N 1 2 336.417 0.232 20 30 ECEDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 ZINC000619712684 546361640 /nfs/dbraw/zinc/36/16/40/546361640.db2.gz CEYOPWDFBJPTMO-ZFWWWQNUSA-N 1 2 336.417 0.232 20 30 ECEDLO C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCn3cc(C)[nH+]c3C2)CC1 ZINC000623603622 546811930 /nfs/dbraw/zinc/81/19/30/546811930.db2.gz KXQGGQSRRYXKHP-HNNXBMFYSA-N 1 2 345.447 0.200 20 30 ECEDLO C=C(C)Cn1c(COC)nnc1N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000670194676 547984436 /nfs/dbraw/zinc/98/44/36/547984436.db2.gz VYTIPUWPCMCLIP-UHFFFAOYSA-N 1 2 336.440 0.211 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(COC)n2CC(=C)C)CC1 ZINC000670214302 547985666 /nfs/dbraw/zinc/98/56/66/547985666.db2.gz REYSNPSGQYGOJR-UHFFFAOYSA-N 1 2 348.451 0.425 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3oc(C)nc3C)C[C@H]2O)nc1 ZINC001078030446 782176528 /nfs/dbraw/zinc/17/65/28/782176528.db2.gz ZGHHCYVNRJUVGB-HZPDHXFCSA-N 1 2 340.383 0.643 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3oc(C)nc3C)C[C@H]2O)nc1 ZINC001078030446 782176531 /nfs/dbraw/zinc/17/65/31/782176531.db2.gz ZGHHCYVNRJUVGB-HZPDHXFCSA-N 1 2 340.383 0.643 20 30 ECEDLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000748454522 579324721 /nfs/dbraw/zinc/32/47/21/579324721.db2.gz CVIRLRGEOBSPRD-AWEZNQCLSA-N 1 2 337.420 0.935 20 30 ECEDLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000748454522 579324722 /nfs/dbraw/zinc/32/47/22/579324722.db2.gz CVIRLRGEOBSPRD-AWEZNQCLSA-N 1 2 337.420 0.935 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2Cc3ccc(C(=O)OC)cc3C2)CC1 ZINC000748815266 579329266 /nfs/dbraw/zinc/32/92/66/579329266.db2.gz BMTHMGVGXGWVMJ-UHFFFAOYSA-N 1 2 341.411 0.566 20 30 ECEDLO C#CCOCCNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000753172819 579396434 /nfs/dbraw/zinc/39/64/34/579396434.db2.gz FSQAGLLECIGPQH-SFHVURJKSA-N 1 2 345.443 0.879 20 30 ECEDLO C#CCOCCNC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000753229669 579397417 /nfs/dbraw/zinc/39/74/17/579397417.db2.gz ZSDLAVMLYFGYGR-UHFFFAOYSA-N 1 2 332.400 0.828 20 30 ECEDLO C#CCOCCNC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000753229669 579397419 /nfs/dbraw/zinc/39/74/19/579397419.db2.gz ZSDLAVMLYFGYGR-UHFFFAOYSA-N 1 2 332.400 0.828 20 30 ECEDLO CS(=O)(=O)CCNN=Cc1c(-n2cc[nH+]c2)nc2ccccn12 ZINC000755733588 579438167 /nfs/dbraw/zinc/43/81/67/579438167.db2.gz IQIWTRLJHGDZQH-UHFFFAOYSA-N 1 2 332.389 0.488 20 30 ECEDLO N#Cc1cccc(OCC(=O)N(CCO)CC[NH+]2CCOCC2)c1 ZINC000757103791 579459329 /nfs/dbraw/zinc/45/93/29/579459329.db2.gz DWRGSIZQXSYBCD-UHFFFAOYSA-N 1 2 333.388 0.090 20 30 ECEDLO NC(=NOCC(=O)NC1CC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000725791960 578133756 /nfs/dbraw/zinc/13/37/56/578133756.db2.gz BMNAEVAVBQGOGD-UHFFFAOYSA-N 1 2 332.404 0.434 20 30 ECEDLO C#Cc1ccc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cn1 ZINC000728859996 578291429 /nfs/dbraw/zinc/29/14/29/578291429.db2.gz KWVSARIQKWOADP-UHFFFAOYSA-N 1 2 336.399 0.405 20 30 ECEDLO O=C(NCCNC(=O)C1N=CC=CC1=O)NCCNc1cccc[nH+]1 ZINC000732441517 578325342 /nfs/dbraw/zinc/32/53/42/578325342.db2.gz GFZCNSMOEHXWSN-CCEZHUSRSA-N 1 2 344.375 0.319 20 30 ECEDLO Cn1c(CC#N)nn(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c1=S ZINC000794636861 578596537 /nfs/dbraw/zinc/59/65/37/578596537.db2.gz ONWBLFPQJSZOKT-GFCCVEGCSA-N 1 2 332.437 0.978 20 30 ECEDLO Cn1c(CC#N)nn(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c1=S ZINC000794636861 578596538 /nfs/dbraw/zinc/59/65/38/578596538.db2.gz ONWBLFPQJSZOKT-GFCCVEGCSA-N 1 2 332.437 0.978 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H](C)NC(=O)CCc2ccccc2)CC1 ZINC000799631894 578668304 /nfs/dbraw/zinc/66/83/04/578668304.db2.gz XRHGWCAAJZMSCZ-MRXNPFEDSA-N 1 2 327.428 0.901 20 30 ECEDLO N#Cc1ccc([C@H](O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000780953213 578703579 /nfs/dbraw/zinc/70/35/79/578703579.db2.gz FNLMDNRPQNOSHW-SJORKVTESA-N 1 2 329.400 0.915 20 30 ECEDLO C=CCN(C(=O)C(=O)NCc1ccc[nH+]c1N1CCOCC1)C(C)C ZINC000787284068 578803542 /nfs/dbraw/zinc/80/35/42/578803542.db2.gz NGFWANVQZZDKBN-UHFFFAOYSA-N 1 2 346.431 0.957 20 30 ECEDLO C[C@@H](OC(=O)C[N@H+](C)[C@@H]1CCSC1)C(=O)NC1(C#N)CCC1 ZINC000787769941 578816241 /nfs/dbraw/zinc/81/62/41/578816241.db2.gz XHRMIDNIAFNBMO-VXGBXAGGSA-N 1 2 325.434 0.918 20 30 ECEDLO C[C@@H](OC(=O)C[N@@H+](C)[C@@H]1CCSC1)C(=O)NC1(C#N)CCC1 ZINC000787769941 578816243 /nfs/dbraw/zinc/81/62/43/578816243.db2.gz XHRMIDNIAFNBMO-VXGBXAGGSA-N 1 2 325.434 0.918 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@@H]1CCCO1 ZINC000788846387 578844339 /nfs/dbraw/zinc/84/43/39/578844339.db2.gz HPPDRHIEEXNAJU-CABCVRRESA-N 1 2 344.415 0.175 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCNc1ccc(C#N)cn1 ZINC000788867963 578844573 /nfs/dbraw/zinc/84/45/73/578844573.db2.gz QEVOSJJWUQHXMS-AWEZNQCLSA-N 1 2 346.435 0.727 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000771286101 579187367 /nfs/dbraw/zinc/18/73/67/579187367.db2.gz CTLRNJYJTPBDCI-HNNXBMFYSA-N 1 2 325.372 0.607 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000771286101 579187369 /nfs/dbraw/zinc/18/73/69/579187369.db2.gz CTLRNJYJTPBDCI-HNNXBMFYSA-N 1 2 325.372 0.607 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1)[C@@H]1CCCO1 ZINC000773786864 579233612 /nfs/dbraw/zinc/23/36/12/579233612.db2.gz HMBHGWJWCXMYMK-KBPBESRZSA-N 1 2 326.356 0.878 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCOc3cc(N(C)C)ccc32)CC1 ZINC000774754684 579255603 /nfs/dbraw/zinc/25/56/03/579255603.db2.gz WWOMJCGTJKUVMQ-UHFFFAOYSA-N 1 2 342.443 0.729 20 30 ECEDLO C#C[C@H](NC(=O)C[NH+]1CCN(c2ccccn2)CC1)[C@@H]1CCCO1 ZINC000775350271 579265901 /nfs/dbraw/zinc/26/59/01/579265901.db2.gz OLWFTSBUNSSGRV-HOTGVXAUSA-N 1 2 328.416 0.501 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](CCC(=O)c2ccc(C)cc2)CC1 ZINC000775641936 579269344 /nfs/dbraw/zinc/26/93/44/579269344.db2.gz LVGFCYVUXXPPOW-UHFFFAOYSA-N 1 2 349.456 0.653 20 30 ECEDLO C#C[C@@H]([NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCCO1 ZINC000775784253 579271012 /nfs/dbraw/zinc/27/10/12/579271012.db2.gz HDEWPSYPYDFDKA-CABCVRRESA-N 1 2 336.413 0.799 20 30 ECEDLO N#Cc1cccnc1NCCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000777666228 579301335 /nfs/dbraw/zinc/30/13/35/579301335.db2.gz VXYHIJJIYOESOH-CYBMUJFWSA-N 1 2 325.376 0.876 20 30 ECEDLO C#CCCCC(=O)N[C@H](C(=O)NCC[NH+]1CCOCC1)[C@@H](C)CC ZINC000760320632 579508429 /nfs/dbraw/zinc/50/84/29/579508429.db2.gz HOBLFEOILOGPSC-RDJZCZTQSA-N 1 2 337.464 0.769 20 30 ECEDLO COC(=O)c1cn([C@@H]2CCC[N@H+](Cn3cccc(C#N)c3=O)C2)nn1 ZINC000762459839 579542056 /nfs/dbraw/zinc/54/20/56/579542056.db2.gz KVTLOGAACJFNJT-CYBMUJFWSA-N 1 2 342.359 0.393 20 30 ECEDLO COC(=O)c1cn([C@@H]2CCC[N@@H+](Cn3cccc(C#N)c3=O)C2)nn1 ZINC000762459839 579542058 /nfs/dbraw/zinc/54/20/58/579542058.db2.gz KVTLOGAACJFNJT-CYBMUJFWSA-N 1 2 342.359 0.393 20 30 ECEDLO CCOC(=O)[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000741256831 579769621 /nfs/dbraw/zinc/76/96/21/579769621.db2.gz FWMLTKBSJSLAQZ-WBVHZDCISA-N 1 2 348.399 0.756 20 30 ECEDLO CCOC(=O)[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000741256831 579769622 /nfs/dbraw/zinc/76/96/22/579769622.db2.gz FWMLTKBSJSLAQZ-WBVHZDCISA-N 1 2 348.399 0.756 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 ZINC000744425593 579809260 /nfs/dbraw/zinc/80/92/60/579809260.db2.gz SVWDFSSEGVGUGQ-CQSZACIVSA-N 1 2 329.375 0.956 20 30 ECEDLO C[C@@H]1C[NH+]=C(N2CCN(S(=O)(=O)N(C)CCC#N)CC2)S1 ZINC000745938679 579829775 /nfs/dbraw/zinc/82/97/75/579829775.db2.gz BJJNVCWSBDAXAL-LLVKDONJSA-N 1 2 331.467 0.186 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000746468872 579840000 /nfs/dbraw/zinc/84/00/00/579840000.db2.gz QPCRUYANMPQNIN-WREIHNQOSA-N 1 2 342.509 0.425 20 30 ECEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000747840964 579855063 /nfs/dbraw/zinc/85/50/63/579855063.db2.gz WNOJZFIZLDRSLW-DLBZAZTESA-N 1 2 334.464 0.932 20 30 ECEDLO CCC(=NNC1=[NH+]CCN1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000841659946 588996977 /nfs/dbraw/zinc/99/69/77/588996977.db2.gz NSBNDFQSFXOQAO-UHFFFAOYSA-N 1 2 343.840 0.911 20 30 ECEDLO C#C[C@H](NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)c1ccc(F)cc1 ZINC000867293286 589030388 /nfs/dbraw/zinc/03/03/88/589030388.db2.gz IRSQFCFXBHRTCV-GJZGRUSLSA-N 1 2 326.393 0.750 20 30 ECEDLO C#C[C@H](NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)c1ccc(F)cc1 ZINC000867293286 589030391 /nfs/dbraw/zinc/03/03/91/589030391.db2.gz IRSQFCFXBHRTCV-GJZGRUSLSA-N 1 2 326.393 0.750 20 30 ECEDLO COC(=O)[C@@]1(C[NH2+]Cc2cccc(F)c2C#N)C[C@@H]1S(C)(=O)=O ZINC000895509824 586186256 /nfs/dbraw/zinc/18/62/56/586186256.db2.gz AVTZMIQGSFVOLW-DZGCQCFKSA-N 1 2 340.376 0.763 20 30 ECEDLO C[C@@]1(C#N)CN(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CCO1 ZINC000891830264 586199677 /nfs/dbraw/zinc/19/96/77/586199677.db2.gz XXTQIQTVEPGAKH-QGZVFWFLSA-N 1 2 345.403 0.742 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(F)c(C)c2)CC1 ZINC000895915510 586212140 /nfs/dbraw/zinc/21/21/40/586212140.db2.gz AAWMXAZNABCETJ-UHFFFAOYSA-N 1 2 325.409 0.719 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cccc(OCC=C)c2)CC1 ZINC000895916072 586212787 /nfs/dbraw/zinc/21/27/87/586212787.db2.gz UXHXSYHPABEBLT-UHFFFAOYSA-N 1 2 349.456 0.837 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cc3cccnc3o2)CC1 ZINC000895922757 586213179 /nfs/dbraw/zinc/21/31/79/586213179.db2.gz VPKCPPIXVOSZDO-UHFFFAOYSA-N 1 2 334.401 0.413 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000895924012 586213421 /nfs/dbraw/zinc/21/34/21/586213421.db2.gz ZCSMBUZHLYPWMA-UHFFFAOYSA-N 1 2 332.429 0.753 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCOC3(CCC3)C2)CC1 ZINC000896180736 586224927 /nfs/dbraw/zinc/22/49/27/586224927.db2.gz GAVWGVPWTNCEGL-MRXNPFEDSA-N 1 2 347.459 0.619 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCOC3(CCC3)C2)CC1 ZINC000896180736 586224930 /nfs/dbraw/zinc/22/49/30/586224930.db2.gz GAVWGVPWTNCEGL-MRXNPFEDSA-N 1 2 347.459 0.619 20 30 ECEDLO N#Cc1c2ccccc2[nH]c1C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000897235023 586289875 /nfs/dbraw/zinc/28/98/75/586289875.db2.gz KUVCZBGXKZYPMU-UHFFFAOYSA-N 1 2 342.399 0.806 20 30 ECEDLO C[C@H]1CN(C(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000022811924 586303802 /nfs/dbraw/zinc/30/38/02/586303802.db2.gz GQYHBGVSEOBGSE-INIZCTEOSA-N 1 2 342.443 0.923 20 30 ECEDLO C[C@H]1CN(C(=O)C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000022811924 586303805 /nfs/dbraw/zinc/30/38/05/586303805.db2.gz GQYHBGVSEOBGSE-INIZCTEOSA-N 1 2 342.443 0.923 20 30 ECEDLO CS(=O)(=O)C[C@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)CCO1 ZINC000897595228 586348619 /nfs/dbraw/zinc/34/86/19/586348619.db2.gz JNLHUNHYCIAPRA-CQSZACIVSA-N 1 2 334.401 0.451 20 30 ECEDLO C#CC[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000843252821 589056861 /nfs/dbraw/zinc/05/68/61/589056861.db2.gz KSJFKMKCGUGNCI-IRXDYDNUSA-N 1 2 347.459 0.572 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc3c2N(C)C(=O)CO3)CC1 ZINC000902137454 586720926 /nfs/dbraw/zinc/72/09/26/586720926.db2.gz CRKBGHCDVGHYFM-UHFFFAOYSA-N 1 2 342.399 0.231 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)nc1 ZINC000903497835 586780348 /nfs/dbraw/zinc/78/03/48/586780348.db2.gz RNQRNSVCEPCEPA-AWEZNQCLSA-N 1 2 329.385 0.683 20 30 ECEDLO C=CCN1C(=O)C(=O)N(CC(=O)OCc2cc(OC)cc(C)[nH+]2)C1=O ZINC000757698924 586893930 /nfs/dbraw/zinc/89/39/30/586893930.db2.gz XGXYGUUQKJNKNH-UHFFFAOYSA-N 1 2 347.327 0.419 20 30 ECEDLO CC(C)(C)OC(=O)N1C[C@H](NC(=O)NCCn2cc[nH+]c2)[C@@H](C#N)C1 ZINC000757995828 586895724 /nfs/dbraw/zinc/89/57/24/586895724.db2.gz OQEMHUTWMJXBOP-STQMWFEESA-N 1 2 348.407 0.941 20 30 ECEDLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)NCc2cccc(C#N)c2)C1 ZINC000805473218 586910474 /nfs/dbraw/zinc/91/04/74/586910474.db2.gz SWEPOEIEKIJUIM-HNNXBMFYSA-N 1 2 331.372 0.438 20 30 ECEDLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)NCc2cccc(C#N)c2)C1 ZINC000805473218 586910477 /nfs/dbraw/zinc/91/04/77/586910477.db2.gz SWEPOEIEKIJUIM-HNNXBMFYSA-N 1 2 331.372 0.438 20 30 ECEDLO C[C@H](OC(=O)c1cccc(F)c1C#N)C(=O)NCC[NH+]1CCOCC1 ZINC000805967672 586948760 /nfs/dbraw/zinc/94/87/60/586948760.db2.gz MUEPOULUGNTMPC-LBPRGKRZSA-N 1 2 349.362 0.691 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](CC(=O)NC(=O)NC3CC3)CC2)cn1 ZINC000801553887 586999582 /nfs/dbraw/zinc/99/95/82/586999582.db2.gz YZIHRWCHFLNKJD-UHFFFAOYSA-N 1 2 328.376 0.063 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)nc1 ZINC000907066038 587011236 /nfs/dbraw/zinc/01/12/36/587011236.db2.gz RSDBTNKTBWYIDW-CYBMUJFWSA-N 1 2 329.385 0.905 20 30 ECEDLO C=CCN1CCN(C[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)C1=O ZINC000839965319 587018065 /nfs/dbraw/zinc/01/80/65/587018065.db2.gz KPWMXLLKFILUOB-CYBMUJFWSA-N 1 2 330.454 0.129 20 30 ECEDLO C=CCN1CCN(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)C1=O ZINC000839965319 587018066 /nfs/dbraw/zinc/01/80/66/587018066.db2.gz KPWMXLLKFILUOB-CYBMUJFWSA-N 1 2 330.454 0.129 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CCCO1 ZINC000807695157 587135070 /nfs/dbraw/zinc/13/50/70/587135070.db2.gz RCVXCXXCVFTOQQ-ILXRZTDVSA-N 1 2 342.399 0.074 20 30 ECEDLO C#CC[C@H](CO)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000816671467 587318590 /nfs/dbraw/zinc/31/85/90/587318590.db2.gz YHJVEBNEYSKDIW-GOEBONIOSA-N 1 2 333.407 0.837 20 30 ECEDLO C#Cc1cccc(CNC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000817154467 587335753 /nfs/dbraw/zinc/33/57/53/587335753.db2.gz KWRVNFQZVFHLEK-UHFFFAOYSA-N 1 2 343.427 0.511 20 30 ECEDLO C#C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C1CCOCC1 ZINC000823164332 587706940 /nfs/dbraw/zinc/70/69/40/587706940.db2.gz UEPVAGKRUDROBM-IRXDYDNUSA-N 1 2 335.448 0.921 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CC[C@H](NC(=O)[O-])C(C)C)CC1 ZINC000823457449 587722058 /nfs/dbraw/zinc/72/20/58/587722058.db2.gz ZRCKAMLFAAVNFZ-HNNXBMFYSA-N 1 2 338.452 0.378 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@H+](C)CC[C@H](NC(=O)[O-])C(C)C)CC1 ZINC000823457449 587722060 /nfs/dbraw/zinc/72/20/60/587722060.db2.gz ZRCKAMLFAAVNFZ-HNNXBMFYSA-N 1 2 338.452 0.378 20 30 ECEDLO C=CC[N@@H+](Cc1nc(=O)n(C)[nH]1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914172 587844289 /nfs/dbraw/zinc/84/42/89/587844289.db2.gz CEXNBVDTQNCLAG-UHFFFAOYSA-N 1 2 326.364 0.477 20 30 ECEDLO C=CC[N@H+](Cc1nc(=O)n(C)[nH]1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914172 587844291 /nfs/dbraw/zinc/84/42/91/587844291.db2.gz CEXNBVDTQNCLAG-UHFFFAOYSA-N 1 2 326.364 0.477 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2nccc3[nH]ccc32)CC1 ZINC000826550004 588069279 /nfs/dbraw/zinc/06/92/79/588069279.db2.gz OCPIBTZRZLMBDH-UHFFFAOYSA-N 1 2 339.399 0.460 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2nccc3[nH]ccc32)CC1 ZINC000826550004 588069280 /nfs/dbraw/zinc/06/92/80/588069280.db2.gz OCPIBTZRZLMBDH-UHFFFAOYSA-N 1 2 339.399 0.460 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CC2)CC1 ZINC000830498709 588374075 /nfs/dbraw/zinc/37/40/75/588374075.db2.gz QDNCHMYCMCDNRP-UHFFFAOYSA-N 1 2 342.447 0.679 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844302599 589107023 /nfs/dbraw/zinc/10/70/23/589107023.db2.gz KSYNCBVRAPIXCT-OCCSQVGLSA-N 1 2 342.403 0.842 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844302599 589107024 /nfs/dbraw/zinc/10/70/24/589107024.db2.gz KSYNCBVRAPIXCT-OCCSQVGLSA-N 1 2 342.403 0.842 20 30 ECEDLO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000845939719 589177243 /nfs/dbraw/zinc/17/72/43/589177243.db2.gz BKRGVAMJIPEGQT-LBPRGKRZSA-N 1 2 346.368 0.965 20 30 ECEDLO C#Cc1cccc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000850629173 589373908 /nfs/dbraw/zinc/37/39/08/589373908.db2.gz LWQHNJXZTQWFEE-INIZCTEOSA-N 1 2 327.384 0.540 20 30 ECEDLO CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 ZINC000850681196 589378726 /nfs/dbraw/zinc/37/87/26/589378726.db2.gz CAEONURARPBLLX-HNNXBMFYSA-N 1 2 341.371 0.432 20 30 ECEDLO CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 ZINC000850681196 589378727 /nfs/dbraw/zinc/37/87/27/589378727.db2.gz CAEONURARPBLLX-HNNXBMFYSA-N 1 2 341.371 0.432 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](CCOCc2ccccc2)CC1 ZINC000851873599 589430316 /nfs/dbraw/zinc/43/03/16/589430316.db2.gz FTLUSDGKOJNTJH-UHFFFAOYSA-N 1 2 337.445 0.288 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2cc(F)ncn2)CC1 ZINC000852131433 589445612 /nfs/dbraw/zinc/44/56/12/589445612.db2.gz VNBCAZVOVBAFLG-ZDUSSCGKSA-N 1 2 334.399 0.746 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCOC[C@@H]2c2cccc(F)c2)CC1 ZINC000852540793 589500326 /nfs/dbraw/zinc/50/03/26/589500326.db2.gz GBLLHLJOZIRRBV-GOSISDBHSA-N 1 2 345.418 0.976 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCn3c(nnc3C(C)(C)C)C2)CC1 ZINC000852740916 589509263 /nfs/dbraw/zinc/50/92/63/589509263.db2.gz KOHKCHIPZJRLOQ-UHFFFAOYSA-N 1 2 344.463 0.169 20 30 ECEDLO NC(CN1CCOCC1)=[NH+]OCC(=O)N[C@H]1CCCc2ccccc21 ZINC000111181620 589538453 /nfs/dbraw/zinc/53/84/53/589538453.db2.gz FAACHFDDKFCOKI-INIZCTEOSA-N 1 2 346.431 0.801 20 30 ECEDLO C#CCC[N@@H+](CCOC)CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O ZINC000853621091 589552417 /nfs/dbraw/zinc/55/24/17/589552417.db2.gz PKTOPDDDYCNJPO-OAHLLOKOSA-N 1 2 332.404 0.267 20 30 ECEDLO C#CCC[N@H+](CCOC)CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O ZINC000853621091 589552418 /nfs/dbraw/zinc/55/24/18/589552418.db2.gz PKTOPDDDYCNJPO-OAHLLOKOSA-N 1 2 332.404 0.267 20 30 ECEDLO C#C[C@H](CO)NC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000854775150 589605478 /nfs/dbraw/zinc/60/54/78/589605478.db2.gz FHQQWILWYAHULD-XJKCOSOUSA-N 1 2 332.404 0.220 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000859944166 589730092 /nfs/dbraw/zinc/73/00/92/589730092.db2.gz QMRKIQGXVUEDKM-QGZVFWFLSA-N 1 2 345.443 0.987 20 30 ECEDLO C#CC[C@H](COC)NC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000858355177 589743919 /nfs/dbraw/zinc/74/39/19/589743919.db2.gz IOFPUJIIDKYRBG-KGLIPLIRSA-N 1 2 347.419 0.249 20 30 ECEDLO C#CCOc1ccccc1CNS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000866789349 589777199 /nfs/dbraw/zinc/77/71/99/589777199.db2.gz HQTLNGCOBDNCSJ-OAHLLOKOSA-N 1 2 338.429 0.449 20 30 ECEDLO C#CCOc1ccccc1CNS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000866789349 589777201 /nfs/dbraw/zinc/77/72/01/589777201.db2.gz HQTLNGCOBDNCSJ-OAHLLOKOSA-N 1 2 338.429 0.449 20 30 ECEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000858841221 589778106 /nfs/dbraw/zinc/77/81/06/589778106.db2.gz PLNUNHCCMIHINT-IRXDYDNUSA-N 1 2 344.415 0.972 20 30 ECEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000858841221 589778108 /nfs/dbraw/zinc/77/81/08/589778108.db2.gz PLNUNHCCMIHINT-IRXDYDNUSA-N 1 2 344.415 0.972 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000860716212 589795973 /nfs/dbraw/zinc/79/59/73/589795973.db2.gz NERZSJHHNBJNDX-OAHLLOKOSA-N 1 2 349.435 0.765 20 30 ECEDLO C#C[C@H](NC(=O)N1CC[NH+](CCc2cnccn2)CC1)[C@H]1CCCO1 ZINC000868514932 589911572 /nfs/dbraw/zinc/91/15/72/589911572.db2.gz SFPNTXUBYZMJLA-DLBZAZTESA-N 1 2 343.431 0.527 20 30 ECEDLO Cc1ccn(C[NH+]2CCC(n3cc(C(N)=O)nn3)CC2)c(=O)c1C#N ZINC000863301700 590001096 /nfs/dbraw/zinc/00/10/96/590001096.db2.gz RAPWKZJTAGSPCK-UHFFFAOYSA-N 1 2 341.375 0.013 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(COCCOC)n2CC(=C)C)CC1 ZINC000871104983 590049008 /nfs/dbraw/zinc/04/90/08/590049008.db2.gz UXHGOLGYGSUCHQ-UHFFFAOYSA-N 1 2 333.436 0.772 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(COCC)n2Cc2cc(C)on2)CC1 ZINC000871467473 590071958 /nfs/dbraw/zinc/07/19/58/590071958.db2.gz BOLMBBOBYWIPHC-UHFFFAOYSA-N 1 2 344.419 0.915 20 30 ECEDLO N#Cc1ccc(N2CCN(C(=O)/C=C/C[NH+]3CCOCC3)CC2)nc1 ZINC000864970021 590118905 /nfs/dbraw/zinc/11/89/05/590118905.db2.gz FNOBVHCXAVDDLF-OWOJBTEDSA-N 1 2 341.415 0.490 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccn(C2CC2)c1=O ZINC000865069895 590123369 /nfs/dbraw/zinc/12/33/69/590123369.db2.gz MZLZTFPADQBMHY-UHFFFAOYSA-N 1 2 344.415 0.871 20 30 ECEDLO CN1C(=O)CS/C1=C/C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000874258365 590228640 /nfs/dbraw/zinc/22/86/40/590228640.db2.gz JXYVCUNJTFJSOO-RVDMUPIBSA-N 1 2 338.433 0.107 20 30 ECEDLO C#CCNC(=O)CN1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC000874342652 590232901 /nfs/dbraw/zinc/23/29/01/590232901.db2.gz DZAUFRMGFALFAW-MRXNPFEDSA-N 1 2 345.447 0.364 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000875026290 590263697 /nfs/dbraw/zinc/26/36/97/590263697.db2.gz NRSTWUZBQKYZLO-LBPRGKRZSA-N 1 2 348.790 0.758 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000875109901 590272017 /nfs/dbraw/zinc/27/20/17/590272017.db2.gz FCZYWJMQSJMPON-OAHLLOKOSA-N 1 2 340.383 0.643 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000875595774 590311907 /nfs/dbraw/zinc/31/19/07/590311907.db2.gz CQRAEKVZYZITCD-RDJZCZTQSA-N 1 2 343.427 0.834 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000875595774 590311909 /nfs/dbraw/zinc/31/19/09/590311909.db2.gz CQRAEKVZYZITCD-RDJZCZTQSA-N 1 2 343.427 0.834 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000875604867 590314780 /nfs/dbraw/zinc/31/47/80/590314780.db2.gz TXRDFGIIFPGCDY-RBSFLKMASA-N 1 2 332.404 0.447 20 30 ECEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879534774 590321191 /nfs/dbraw/zinc/32/11/91/590321191.db2.gz XSOJUUDJZUKBAV-HZSPNIEDSA-N 1 2 327.340 0.319 20 30 ECEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879534774 590321195 /nfs/dbraw/zinc/32/11/95/590321195.db2.gz XSOJUUDJZUKBAV-HZSPNIEDSA-N 1 2 327.340 0.319 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000879761986 590342313 /nfs/dbraw/zinc/34/23/13/590342313.db2.gz AYPLOHCUTXMNHB-GFCCVEGCSA-N 1 2 336.314 0.141 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000879761986 590342316 /nfs/dbraw/zinc/34/23/16/590342316.db2.gz AYPLOHCUTXMNHB-GFCCVEGCSA-N 1 2 336.314 0.141 20 30 ECEDLO C#CCN(CC#CC)C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000875886524 590342692 /nfs/dbraw/zinc/34/26/92/590342692.db2.gz PROMEUKLALTKRQ-GOSISDBHSA-N 1 2 340.427 0.951 20 30 ECEDLO C#CCN(CC#CC)C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000875886524 590342693 /nfs/dbraw/zinc/34/26/93/590342693.db2.gz PROMEUKLALTKRQ-GOSISDBHSA-N 1 2 340.427 0.951 20 30 ECEDLO C[N@@H+]1CCn2nc(NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2C1 ZINC000880814739 590420818 /nfs/dbraw/zinc/42/08/18/590420818.db2.gz XIZSFDDGWXFZGD-AWEZNQCLSA-N 1 2 329.408 0.533 20 30 ECEDLO C[N@H+]1CCn2nc(NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2C1 ZINC000880814739 590420819 /nfs/dbraw/zinc/42/08/19/590420819.db2.gz XIZSFDDGWXFZGD-AWEZNQCLSA-N 1 2 329.408 0.533 20 30 ECEDLO COc1ccc(NC(=O)N(CCO)CC[NH+]2CCOCC2)cc1C#N ZINC000880877283 590425662 /nfs/dbraw/zinc/42/56/62/590425662.db2.gz DJCJDQRADIGVMX-UHFFFAOYSA-N 1 2 348.403 0.725 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(c2nccc(OCCC)n2)CC1 ZINC000881982132 590502931 /nfs/dbraw/zinc/50/29/31/590502931.db2.gz RFOKEUHQVHLNOX-UHFFFAOYSA-N 1 2 331.420 0.527 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2nccc(OCCC)n2)CC1 ZINC000881982132 590502934 /nfs/dbraw/zinc/50/29/34/590502934.db2.gz RFOKEUHQVHLNOX-UHFFFAOYSA-N 1 2 331.420 0.527 20 30 ECEDLO Cc1nc(C#N)cc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1 ZINC000882080487 590514330 /nfs/dbraw/zinc/51/43/30/590514330.db2.gz NZFTYURSJLMOGC-ZDUSSCGKSA-N 1 2 328.420 0.790 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2c(C)cc(C)nc2C)CC1 ZINC000878315091 590515064 /nfs/dbraw/zinc/51/50/64/590515064.db2.gz FTXWDVFTVRJWRB-UHFFFAOYSA-N 1 2 336.461 0.592 20 30 ECEDLO C=C(C)C[C@@H](CO)NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000883183073 590608391 /nfs/dbraw/zinc/60/83/91/590608391.db2.gz RBLJUZPGIDTRFE-GOEBONIOSA-N 1 2 343.493 0.821 20 30 ECEDLO C=C(C)C[C@H](CO)NC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000883797762 590667883 /nfs/dbraw/zinc/66/78/83/590667883.db2.gz KFDQLSCFPXJROD-IAGOWNOFSA-N 1 2 348.447 0.909 20 30 ECEDLO C=C(C)C[C@H](CO)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000883797762 590667885 /nfs/dbraw/zinc/66/78/85/590667885.db2.gz KFDQLSCFPXJROD-IAGOWNOFSA-N 1 2 348.447 0.909 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)C1 ZINC000885509837 590728646 /nfs/dbraw/zinc/72/86/46/590728646.db2.gz XWSKISAIGWHEJK-ILXRZTDVSA-N 1 2 330.450 0.055 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)C[C@H](OC)[C@@H]2CCOC2)C1 ZINC000885509837 590728649 /nfs/dbraw/zinc/72/86/49/590728649.db2.gz XWSKISAIGWHEJK-ILXRZTDVSA-N 1 2 330.450 0.055 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(Cn2cccn2)cc1 ZINC000884085534 590736433 /nfs/dbraw/zinc/73/64/33/590736433.db2.gz XTNWMIDEQWTAEG-INIZCTEOSA-N 1 2 342.399 0.994 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc2c(c1)OCCCO2 ZINC000884108888 590741768 /nfs/dbraw/zinc/74/17/68/590741768.db2.gz OVDMCKNCBRMIKK-ZDUSSCGKSA-N 1 2 334.372 0.911 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](CC)N(C(C)=O)C[C@@H]1CC ZINC000884157046 590756076 /nfs/dbraw/zinc/75/60/76/590756076.db2.gz REALTDNPCMAHHE-KKUMJFAQSA-N 1 2 339.436 0.681 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000884209751 590775905 /nfs/dbraw/zinc/77/59/05/590775905.db2.gz HYMVTEDIYTZBHD-BBRMVZONSA-N 1 2 347.415 0.837 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCN(c2ccccc2OC)C1 ZINC000884228090 590782609 /nfs/dbraw/zinc/78/26/09/590782609.db2.gz IBGMSUSZSVESCT-KBPBESRZSA-N 1 2 347.415 0.837 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](OCc2ccccn2)C1 ZINC000884328809 590806580 /nfs/dbraw/zinc/80/65/80/590806580.db2.gz XWJIQJJGGNEKIE-CABCVRRESA-N 1 2 333.388 0.646 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000884398160 590819299 /nfs/dbraw/zinc/81/92/99/590819299.db2.gz XFMHSUGCXNBVTL-BBRMVZONSA-N 1 2 347.415 0.837 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](C(=O)OC)[C@@H]2CCC[C@@H]21 ZINC000884440902 590828963 /nfs/dbraw/zinc/82/89/63/590828963.db2.gz URCQRILIEWYNMB-XUXIUFHCSA-N 1 2 338.404 0.623 20 30 ECEDLO C#CC1(O)CC[NH+](CC(=O)N(C)c2ccccc2C(=O)OC)CC1 ZINC000931145864 611511005 /nfs/dbraw/zinc/51/10/05/611511005.db2.gz ULGDSMHUNXBCIR-UHFFFAOYSA-N 1 2 330.384 0.896 20 30 ECEDLO C#CC[N@@H+](CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O)C(C)C ZINC000932391307 611621613 /nfs/dbraw/zinc/62/16/13/611621613.db2.gz XLTDQKQOKOJSTO-UHFFFAOYSA-N 1 2 334.420 0.312 20 30 ECEDLO C#CC[N@H+](CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O)C(C)C ZINC000932391307 611621615 /nfs/dbraw/zinc/62/16/15/611621615.db2.gz XLTDQKQOKOJSTO-UHFFFAOYSA-N 1 2 334.420 0.312 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC(NC(=O)Cn3cc[nH+]c3)CC2)nc1 ZINC000947628759 611625416 /nfs/dbraw/zinc/62/54/16/611625416.db2.gz WVLVXRFOOWJQCI-UHFFFAOYSA-N 1 2 337.383 0.680 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC000937429236 608758083 /nfs/dbraw/zinc/75/80/83/608758083.db2.gz FZFDDQLNJBQFKO-XHSDSOJGSA-N 1 2 346.431 0.972 20 30 ECEDLO C=C(COC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(=O)OCC ZINC000923775116 608920688 /nfs/dbraw/zinc/92/06/88/608920688.db2.gz BVLVDQMELLHIEW-KGLIPLIRSA-N 1 2 327.377 0.529 20 30 ECEDLO CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000937198010 609034988 /nfs/dbraw/zinc/03/49/88/609034988.db2.gz PFCLMYXOTFGOJA-AWEZNQCLSA-N 1 2 340.387 0.535 20 30 ECEDLO CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000937198178 609035235 /nfs/dbraw/zinc/03/52/35/609035235.db2.gz RNYATIJZAABRHF-ZDUSSCGKSA-N 1 2 326.360 0.525 20 30 ECEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)s1)[C@H]1C[N@H+](C)CCN1C ZINC000919988615 609669015 /nfs/dbraw/zinc/66/90/15/609669015.db2.gz HANXQGQWOLOSGG-CMPLNLGQSA-N 1 2 328.463 0.532 20 30 ECEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)s1)[C@H]1C[N@@H+](C)CCN1C ZINC000919988615 609669017 /nfs/dbraw/zinc/66/90/17/609669017.db2.gz HANXQGQWOLOSGG-CMPLNLGQSA-N 1 2 328.463 0.532 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)s1)[C@H]1C[N@H+](C)CCN1C ZINC000919988648 609669165 /nfs/dbraw/zinc/66/91/65/609669165.db2.gz HANXQGQWOLOSGG-ZYHUDNBSSA-N 1 2 328.463 0.532 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)s1)[C@H]1C[N@@H+](C)CCN1C ZINC000919988648 609669167 /nfs/dbraw/zinc/66/91/67/609669167.db2.gz HANXQGQWOLOSGG-ZYHUDNBSSA-N 1 2 328.463 0.532 20 30 ECEDLO COC(=O)C1(C#N)CCN(C(=O)/C=C(/C)C[NH+]2CCOCC2)CC1 ZINC000908995798 609673409 /nfs/dbraw/zinc/67/34/09/609673409.db2.gz BJDDCJJDMLCARL-KAMYIIQDSA-N 1 2 335.404 0.570 20 30 ECEDLO C=CCC[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)[O-] ZINC000908990272 609673580 /nfs/dbraw/zinc/67/35/80/609673580.db2.gz VMLKLEKKZKRYDH-UKRRQHHQSA-N 1 2 338.452 0.874 20 30 ECEDLO C=CCC[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)[O-] ZINC000908990272 609673582 /nfs/dbraw/zinc/67/35/82/609673582.db2.gz VMLKLEKKZKRYDH-UKRRQHHQSA-N 1 2 338.452 0.874 20 30 ECEDLO C[N@@H+]1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C[C@@H]1CO ZINC000913544005 609689785 /nfs/dbraw/zinc/68/97/85/609689785.db2.gz UXGMLIPUCDNMTP-HUUCEWRRSA-N 1 2 346.406 0.659 20 30 ECEDLO C[N@H+]1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C[C@@H]1CO ZINC000913544005 609689786 /nfs/dbraw/zinc/68/97/86/609689786.db2.gz UXGMLIPUCDNMTP-HUUCEWRRSA-N 1 2 346.406 0.659 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](C[C@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000929510793 609795580 /nfs/dbraw/zinc/79/55/80/609795580.db2.gz JRSHXXIFHXCTOP-ZIAGYGMSSA-N 1 2 347.381 0.853 20 30 ECEDLO C#CC[C@@H](CO)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000913873958 609830366 /nfs/dbraw/zinc/83/03/66/609830366.db2.gz YRKPWDLMUHSGJS-DLBZAZTESA-N 1 2 331.416 0.571 20 30 ECEDLO C#CC[C@@H](CO)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000913873958 609830367 /nfs/dbraw/zinc/83/03/67/609830367.db2.gz YRKPWDLMUHSGJS-DLBZAZTESA-N 1 2 331.416 0.571 20 30 ECEDLO C#CC[C@H](CO)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000913873959 609830579 /nfs/dbraw/zinc/83/05/79/609830579.db2.gz YRKPWDLMUHSGJS-IAGOWNOFSA-N 1 2 331.416 0.571 20 30 ECEDLO C#CC[C@H](CO)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000913873959 609830582 /nfs/dbraw/zinc/83/05/82/609830582.db2.gz YRKPWDLMUHSGJS-IAGOWNOFSA-N 1 2 331.416 0.571 20 30 ECEDLO N#CCSc1ccccc1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000914535708 609892337 /nfs/dbraw/zinc/89/23/37/609892337.db2.gz DJBPPUNHKHESAP-CYBMUJFWSA-N 1 2 335.429 0.725 20 30 ECEDLO C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C[C@H](C)N1CC#N ZINC000916619681 609944086 /nfs/dbraw/zinc/94/40/86/609944086.db2.gz PLTCCRSJZLEFGT-GASCZTMLSA-N 1 2 337.468 0.725 20 30 ECEDLO C[C@@H]1CN(C(=O)NCC[N@H+]2CCOCC2(C)C)C[C@H](C)N1CC#N ZINC000916619681 609944088 /nfs/dbraw/zinc/94/40/88/609944088.db2.gz PLTCCRSJZLEFGT-GASCZTMLSA-N 1 2 337.468 0.725 20 30 ECEDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@@H](C#N)C2)CC1 ZINC000917783287 609983831 /nfs/dbraw/zinc/98/38/31/609983831.db2.gz ARHUQPLKBGWZLQ-ZDUSSCGKSA-N 1 2 342.465 0.441 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC000938982214 610060252 /nfs/dbraw/zinc/06/02/52/610060252.db2.gz RTUFVZXXHCDPID-CYBMUJFWSA-N 1 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/nfs/dbraw/zinc/32/87/15/610328715.db2.gz QBGWMXUCTDMPSE-UHFFFAOYSA-N 1 2 333.411 0.318 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c(OC)ccnc3OC)CC2)C1 ZINC000941483753 610336887 /nfs/dbraw/zinc/33/68/87/610336887.db2.gz GKDKWLIQCUVSEJ-UHFFFAOYSA-N 1 2 344.415 0.174 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3ccc(OC)cn3)CC2)C1 ZINC000941534085 610365624 /nfs/dbraw/zinc/36/56/24/610365624.db2.gz LAPBBCWOYOYQEL-UHFFFAOYSA-N 1 2 342.443 0.484 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCc4nn[nH]c43)CC2)C1 ZINC000941536965 610366807 /nfs/dbraw/zinc/36/68/07/610366807.db2.gz FPLJLHINHAIVMK-OAHLLOKOSA-N 1 2 342.447 0.076 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCc3cc(C)on3)CC2)C1 ZINC000941564114 610384669 /nfs/dbraw/zinc/38/46/69/610384669.db2.gz XYEWCXVMUHONDT-UHFFFAOYSA-N 1 2 330.432 0.767 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3cccnc3C)CC2)C1 ZINC000941564578 610385225 /nfs/dbraw/zinc/38/52/25/610385225.db2.gz KNFDNHACOJFUDT-UHFFFAOYSA-N 1 2 326.444 0.784 20 30 ECEDLO N#Cc1cc(C(=O)N2CCCN(C(=O)CCc3[nH]cc[nH+]3)CC2)c[nH]1 ZINC000940812665 610386162 /nfs/dbraw/zinc/38/61/62/610386162.db2.gz PSZUJYAYHUYQQE-UHFFFAOYSA-N 1 2 340.387 0.917 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c(C)nn(C)c3OC)CC2)C1 ZINC000941590235 610399065 /nfs/dbraw/zinc/39/90/65/610399065.db2.gz HMKPAPOTJDEGSC-UHFFFAOYSA-N 1 2 345.447 0.202 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)c3c(C)n[nH]c3C)CC2)C1 ZINC000941607158 610405193 /nfs/dbraw/zinc/40/51/93/610405193.db2.gz JIALCIWEASHQKI-AWEZNQCLSA-N 1 2 343.475 0.982 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c(C)nn(CC)c3C)CC2)C1 ZINC000941607405 610405217 /nfs/dbraw/zinc/40/52/17/610405217.db2.gz NFFFWHNJHHYZEP-UHFFFAOYSA-N 1 2 329.448 0.595 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ncoc3-c3ccon3)CC2)C1 ZINC000941640780 610417955 /nfs/dbraw/zinc/41/79/55/610417955.db2.gz BFEUCPGSFMPGAY-UHFFFAOYSA-N 1 2 341.371 0.405 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCCN(C)C3=O)CC2)C1 ZINC000941638263 610423549 /nfs/dbraw/zinc/42/35/49/610423549.db2.gz AJSPYYYXYNKHDI-QGZVFWFLSA-N 1 2 346.475 0.097 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)COc3ccc(C)cc3)CC2)C1 ZINC000941657927 610431850 /nfs/dbraw/zinc/43/18/50/610431850.db2.gz PIXKSRHJHDVBNT-UHFFFAOYSA-N 1 2 327.428 0.835 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3Cc4cccnc4C3)CC2)C1 ZINC000941650772 610440690 /nfs/dbraw/zinc/44/06/90/610440690.db2.gz FPIXAZXFMUHIKG-QGZVFWFLSA-N 1 2 338.455 0.648 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3Cc4cccnc4C3)CC2)C1 ZINC000941650771 610440922 /nfs/dbraw/zinc/44/09/22/610440922.db2.gz FPIXAZXFMUHIKG-KRWDZBQOSA-N 1 2 338.455 0.648 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000941671458 610444629 /nfs/dbraw/zinc/44/46/29/610444629.db2.gz LSDRJIJSISZDAD-CVEARBPZSA-N 1 2 346.431 0.615 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3Cc4cccc(F)c4O3)CC2)C1 ZINC000941671269 610444830 /nfs/dbraw/zinc/44/48/30/610444830.db2.gz FYRPSTKMUOEWEQ-QGZVFWFLSA-N 1 2 343.402 0.591 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](OC)c3ccc(F)cc3)CC2)C1 ZINC000941679245 610451820 /nfs/dbraw/zinc/45/18/20/610451820.db2.gz WWNCFHGRNHCXEY-GOSISDBHSA-N 1 2 345.418 0.975 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3COc4ccccc43)CC2)C1 ZINC000941686155 610463948 /nfs/dbraw/zinc/46/39/48/610463948.db2.gz DMMWYEKQWNMUOA-KRWDZBQOSA-N 1 2 325.412 0.624 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1OC ZINC000942516855 610496294 /nfs/dbraw/zinc/49/62/94/610496294.db2.gz YOWKAYKEXDAQRJ-OWCLPIDISA-N 1 2 344.415 0.068 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1OC ZINC000942516855 610496296 /nfs/dbraw/zinc/49/62/96/610496296.db2.gz YOWKAYKEXDAQRJ-OWCLPIDISA-N 1 2 344.415 0.068 20 30 ECEDLO C[C@H]1C[N@H+](Cc2nncn2C)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941961858 610584975 /nfs/dbraw/zinc/58/49/75/610584975.db2.gz ABVMMDTVKPPUJJ-SMDDNHRTSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@H]1C[N@@H+](Cc2nncn2C)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941961858 610584977 /nfs/dbraw/zinc/58/49/77/610584977.db2.gz ABVMMDTVKPPUJJ-SMDDNHRTSA-N 1 2 327.392 0.655 20 30 ECEDLO Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](C)C2)[nH]1 ZINC000941965916 610588445 /nfs/dbraw/zinc/58/84/45/610588445.db2.gz FDGPLJNAEQMTIB-GXFFZTMASA-N 1 2 327.392 0.953 20 30 ECEDLO Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](C)C2)[nH]1 ZINC000941965916 610588447 /nfs/dbraw/zinc/58/84/47/610588447.db2.gz FDGPLJNAEQMTIB-GXFFZTMASA-N 1 2 327.392 0.953 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000941227803 610610792 /nfs/dbraw/zinc/61/07/92/610610792.db2.gz ACCXKEKLZCJRML-LSDHHAIUSA-N 1 2 326.400 0.576 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000942983860 610711129 /nfs/dbraw/zinc/71/11/29/610711129.db2.gz WGZWOQXTAUCEJH-OAGGEKHMSA-N 1 2 346.431 0.924 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCc4n[nH]cc43)CC2)C1 ZINC000941410215 610723295 /nfs/dbraw/zinc/72/32/95/610723295.db2.gz CBKWYXOHGZOUGQ-HNNXBMFYSA-N 1 2 327.432 0.291 20 30 ECEDLO C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H](C)C1 ZINC000943689616 610948054 /nfs/dbraw/zinc/94/80/54/610948054.db2.gz LEBVCENIGQFPHY-OCCSQVGLSA-N 1 2 344.419 0.474 20 30 ECEDLO C=CCC[N@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H](C)C1 ZINC000943689616 610948057 /nfs/dbraw/zinc/94/80/57/610948057.db2.gz LEBVCENIGQFPHY-OCCSQVGLSA-N 1 2 344.419 0.474 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCCN2C(=O)Cn2cc[nH+]c2)nn1 ZINC000944108435 611127619 /nfs/dbraw/zinc/12/76/19/611127619.db2.gz IMWYYXSDNCPJJL-CYBMUJFWSA-N 1 2 343.391 0.082 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CCC[C@H]2NC(=O)Cn2cc[nH+]c2)c[nH]1 ZINC000946243946 611169569 /nfs/dbraw/zinc/16/95/69/611169569.db2.gz YPLLTAWAUAMAIS-IUODEOHRSA-N 1 2 340.387 0.798 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC000946067913 611221037 /nfs/dbraw/zinc/22/10/37/611221037.db2.gz VYBCTDOWONQPQM-ZBFHGGJFSA-N 1 2 326.400 0.815 20 30 ECEDLO C#CC[C@H](CO)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000923343779 611231889 /nfs/dbraw/zinc/23/18/89/611231889.db2.gz AMLIZKOXVZVZTF-QZTJIDSGSA-N 1 2 344.459 0.486 20 30 ECEDLO C#CC[C@H](CO)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000923343779 611231890 /nfs/dbraw/zinc/23/18/90/611231890.db2.gz AMLIZKOXVZVZTF-QZTJIDSGSA-N 1 2 344.459 0.486 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nn3)[C@@H](C)C2)nc1 ZINC000947949314 611752921 /nfs/dbraw/zinc/75/29/21/611752921.db2.gz TZUVKEBGIJMQNZ-ZFWWWQNUSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cn(C)nn3)[C@@H](C)C2)nc1 ZINC000947949314 611752923 /nfs/dbraw/zinc/75/29/23/611752923.db2.gz TZUVKEBGIJMQNZ-ZFWWWQNUSA-N 1 2 338.415 0.974 20 30 ECEDLO Cc1noc(C[NH+]2CCC3(CC2)CN(C(=O)[C@@H](C)C#N)CCO3)n1 ZINC000949051864 611829419 /nfs/dbraw/zinc/82/94/19/611829419.db2.gz QXCOSNYQBICWQS-LBPRGKRZSA-N 1 2 333.392 0.731 20 30 ECEDLO C[C@H](c1nncn1C)[NH+]1CCC2(CC1)CN(C(=O)[C@@H](C)C#N)CCO2 ZINC000949053863 611831106 /nfs/dbraw/zinc/83/11/06/611831106.db2.gz MVZBFOHDODXVDS-UONOGXRCSA-N 1 2 346.435 0.729 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cn1 ZINC000950776793 611904383 /nfs/dbraw/zinc/90/43/83/611904383.db2.gz GZBUZRLUVVHZOA-ARFHVFGLSA-N 1 2 349.394 0.920 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cn1 ZINC000950776793 611904385 /nfs/dbraw/zinc/90/43/85/611904385.db2.gz GZBUZRLUVVHZOA-ARFHVFGLSA-N 1 2 349.394 0.920 20 30 ECEDLO C=CCC[N@@H+]1CCOC2(CCN(C(=O)[C@H](C)S(C)(=O)=O)CC2)C1 ZINC000949398038 611964692 /nfs/dbraw/zinc/96/46/92/611964692.db2.gz FFAITALMOHQYKT-AWEZNQCLSA-N 1 2 344.477 0.689 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccn(C)c(=O)c3)CC2)C1 ZINC000949395310 611963032 /nfs/dbraw/zinc/96/30/32/611963032.db2.gz QPNLVLCJFYCDGD-UHFFFAOYSA-N 1 2 329.400 0.326 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccn(C)c(=O)c3)CC2)C1 ZINC000949395310 611963033 /nfs/dbraw/zinc/96/30/33/611963033.db2.gz QPNLVLCJFYCDGD-UHFFFAOYSA-N 1 2 329.400 0.326 20 30 ECEDLO C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@H](C)S(C)(=O)=O)CC2)C1 ZINC000949398038 611964695 /nfs/dbraw/zinc/96/46/95/611964695.db2.gz FFAITALMOHQYKT-AWEZNQCLSA-N 1 2 344.477 0.689 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC000950322377 611970621 /nfs/dbraw/zinc/97/06/21/611970621.db2.gz JGJTWPMPNZGJDZ-ZDUSSCGKSA-N 1 2 326.360 0.504 20 30 ECEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1 ZINC000949417223 611971503 /nfs/dbraw/zinc/97/15/03/611971503.db2.gz VARNKBRDJZOYOI-SJORKVTESA-N 1 2 337.464 0.587 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC2(CC1)CN(CC#N)CCO2 ZINC000949489731 612002892 /nfs/dbraw/zinc/00/28/92/612002892.db2.gz NQOWJEOLXMPJJB-CQSZACIVSA-N 1 2 331.420 0.805 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CC1)CN(CC#N)CCO2 ZINC000949489731 612002895 /nfs/dbraw/zinc/00/28/95/612002895.db2.gz NQOWJEOLXMPJJB-CQSZACIVSA-N 1 2 331.420 0.805 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cn(CCC=C)nn3)CC2)C1 ZINC000949489988 612003132 /nfs/dbraw/zinc/00/31/32/612003132.db2.gz WDVRGXJPPUZEOJ-UHFFFAOYSA-N 1 2 343.431 0.794 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cn(CCC=C)nn3)CC2)C1 ZINC000949489988 612003133 /nfs/dbraw/zinc/00/31/33/612003133.db2.gz WDVRGXJPPUZEOJ-UHFFFAOYSA-N 1 2 343.431 0.794 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000950516907 612049320 /nfs/dbraw/zinc/04/93/20/612049320.db2.gz BAAPGWQGXYMTGR-ZDUSSCGKSA-N 1 2 340.387 0.583 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000951255201 612109449 /nfs/dbraw/zinc/10/94/49/612109449.db2.gz KPTJFRVWWQJACL-XHSDSOJGSA-N 1 2 346.431 0.972 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC000952946748 612135940 /nfs/dbraw/zinc/13/59/40/612135940.db2.gz VJHCOKYLVSLTRJ-WMLDXEAASA-N 1 2 329.404 0.884 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)CCc2[nH]cc[nH+]2)nc1 ZINC000951377525 612193897 /nfs/dbraw/zinc/19/38/97/612193897.db2.gz ADXWOPRRNNQUAT-CQSZACIVSA-N 1 2 337.383 0.750 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000953193664 612199308 /nfs/dbraw/zinc/19/93/08/612199308.db2.gz AHBQMFWMOGRLLL-CXAGYDPISA-N 1 2 329.404 0.573 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000953193669 612199348 /nfs/dbraw/zinc/19/93/48/612199348.db2.gz AHBQMFWMOGRLLL-SUMWQHHRSA-N 1 2 329.404 0.573 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC000953340645 612257829 /nfs/dbraw/zinc/25/78/29/612257829.db2.gz QIRNMLBZCMHYHH-CVEARBPZSA-N 1 2 326.400 0.746 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000952178240 612265275 /nfs/dbraw/zinc/26/52/75/612265275.db2.gz YEQYOLRIQFAKJM-KFWWJZLASA-N 1 2 332.404 0.651 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000952178240 612265278 /nfs/dbraw/zinc/26/52/78/612265278.db2.gz YEQYOLRIQFAKJM-KFWWJZLASA-N 1 2 332.404 0.651 20 30 ECEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 ZINC000952449360 612438687 /nfs/dbraw/zinc/43/86/87/612438687.db2.gz WDULLVNOXOQCNR-NVXWUHKLSA-N 1 2 330.432 0.844 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@](C)(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000956791348 612548359 /nfs/dbraw/zinc/54/83/59/612548359.db2.gz AUCVMGBPVWBWKH-KBXCAEBGSA-N 1 2 335.448 0.781 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@](C)(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000956791348 612548365 /nfs/dbraw/zinc/54/83/65/612548365.db2.gz AUCVMGBPVWBWKH-KBXCAEBGSA-N 1 2 335.448 0.781 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@](C)(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000956801968 612565738 /nfs/dbraw/zinc/56/57/38/612565738.db2.gz DCKQWZOEUWTFBB-QGZVFWFLSA-N 1 2 340.387 0.881 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000955444361 612593789 /nfs/dbraw/zinc/59/37/89/612593789.db2.gz XPPKKFLAEARNGQ-RDJZCZTQSA-N 1 2 346.431 0.993 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000956841628 612615011 /nfs/dbraw/zinc/61/50/11/612615011.db2.gz NNAVXYCMFODGTQ-KRWDZBQOSA-N 1 2 340.387 0.583 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC000954110154 612673947 /nfs/dbraw/zinc/67/39/47/612673947.db2.gz STYHMKXKJFKCRG-NSHDSACASA-N 1 2 340.387 0.771 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC000954110154 612673951 /nfs/dbraw/zinc/67/39/51/612673951.db2.gz STYHMKXKJFKCRG-NSHDSACASA-N 1 2 340.387 0.771 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000954787096 612682848 /nfs/dbraw/zinc/68/28/48/612682848.db2.gz BWKYMBGTKZYSMA-CVEARBPZSA-N 1 2 346.431 0.993 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@]2(C)CCN(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC000956930722 612713677 /nfs/dbraw/zinc/71/36/77/612713677.db2.gz WHIZGJPWMKUTHY-INIZCTEOSA-N 1 2 343.391 0.082 20 30 ECEDLO C=CCn1cccc1C(=O)N1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000954838340 612733296 /nfs/dbraw/zinc/73/32/96/612733296.db2.gz JQHIUPRMUANDNQ-UHFFFAOYSA-N 1 2 341.415 0.933 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)COC)CC2)C1 ZINC000956579326 612916866 /nfs/dbraw/zinc/91/68/66/612916866.db2.gz XHDAZCJLLAKWOK-CRAIPNDOSA-N 1 2 337.464 0.980 20 30 ECEDLO CCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000956589638 612920161 /nfs/dbraw/zinc/92/01/61/612920161.db2.gz YRQWLPRODHUMBW-CQSZACIVSA-N 1 2 329.404 0.655 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCN(C(C)=O)C3)CC2)cn1 ZINC000956601172 612923404 /nfs/dbraw/zinc/92/34/04/612923404.db2.gz LHZIWGBGPOBABF-KRWDZBQOSA-N 1 2 326.400 0.442 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CC(C)(F)F)C2)CC1 ZINC000956605723 612924683 /nfs/dbraw/zinc/92/46/83/612924683.db2.gz MGOFHKRQOVQEKI-CHWSQXEVSA-N 1 2 342.390 0.936 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CC)C2)CC1 ZINC000956607312 612925041 /nfs/dbraw/zinc/92/50/41/612925041.db2.gz KZTUYQBXZQCIGQ-OAGGEKHMSA-N 1 2 335.448 0.733 20 30 ECEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc(C#N)cn1 ZINC001164701056 719843840 /nfs/dbraw/zinc/84/38/40/719843840.db2.gz LQCHPBMOFAIMIJ-WMLDXEAASA-N 1 2 345.403 0.581 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C)nc4c3cnn4C)[C@H]2C1 ZINC001083235149 735470729 /nfs/dbraw/zinc/47/07/29/735470729.db2.gz PHOTZQRVLKEUCZ-JKSUJKDBSA-N 1 2 339.399 0.435 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C)nc4c3cnn4C)[C@H]2C1 ZINC001083235149 735470730 /nfs/dbraw/zinc/47/07/30/735470730.db2.gz PHOTZQRVLKEUCZ-JKSUJKDBSA-N 1 2 339.399 0.435 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC3CC3)C2)nn1 ZINC001098595318 738504076 /nfs/dbraw/zinc/50/40/76/738504076.db2.gz KPPBRVZAANBXKB-INIZCTEOSA-N 1 2 331.420 0.591 20 30 ECEDLO Cc1cc(C)c(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2O)c(C)[nH+]1 ZINC001025043543 738532088 /nfs/dbraw/zinc/53/20/88/738532088.db2.gz LEYKSHZHUDDQOW-ZLKJLUDKSA-N 1 2 330.388 0.468 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000969299295 731690983 /nfs/dbraw/zinc/69/09/83/731690983.db2.gz DYGLWLYMQAXMOQ-ODXJTPSBSA-N 1 2 327.388 0.875 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000969299295 731690984 /nfs/dbraw/zinc/69/09/84/731690984.db2.gz DYGLWLYMQAXMOQ-ODXJTPSBSA-N 1 2 327.388 0.875 20 30 ECEDLO COc1nccc(C[NH+]2CC([C@@H](C)NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000969461791 731909463 /nfs/dbraw/zinc/90/94/63/731909463.db2.gz ATMXOMXCZHREKH-LLVKDONJSA-N 1 2 340.387 0.935 20 30 ECEDLO CN(C[C@@H](O)CN(C)c1cccc(F)c1C#N)C(=O)Cc1c[nH+]c[nH]1 ZINC001125299429 731913644 /nfs/dbraw/zinc/91/36/44/731913644.db2.gz NUMMHZOZXKYBKA-ZDUSSCGKSA-N 1 2 345.378 0.919 20 30 ECEDLO COc1nccc(C[NH+]2CC([C@@H](C)NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000969513829 731940653 /nfs/dbraw/zinc/94/06/53/731940653.db2.gz HNWVJISZDZUCRO-LLVKDONJSA-N 1 2 340.387 0.935 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cn(CCOC)nn2)C1 ZINC000969658824 732027828 /nfs/dbraw/zinc/02/78/28/732027828.db2.gz ZWHJQJCPMRFQPC-LLVKDONJSA-N 1 2 327.816 0.727 20 30 ECEDLO Cc1cc(N(C)C[C@@H](O)CN(C)C(=O)Cc2c[nH+]c[nH]2)c(C#N)cn1 ZINC001125315298 732879629 /nfs/dbraw/zinc/87/96/29/732879629.db2.gz OPVMRQZCARVLRA-OAHLLOKOSA-N 1 2 342.403 0.483 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H](C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC000970712725 733860523 /nfs/dbraw/zinc/86/05/23/733860523.db2.gz CEYCQHSOHPCYMX-RYUDHWBXSA-N 1 2 332.404 0.570 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+](Cc3cnnn3CC)C2)nc1 ZINC000970763255 733925831 /nfs/dbraw/zinc/92/58/31/733925831.db2.gz KLDLZLFENJZSCU-ZDUSSCGKSA-N 1 2 338.415 0.925 20 30 ECEDLO C[C@@H](CNC(=O)CCc1[nH+]ccn1C)CNc1cncc(C#N)n1 ZINC001104289824 733952212 /nfs/dbraw/zinc/95/22/12/733952212.db2.gz VRLFJBVZCDZLJA-GFCCVEGCSA-N 1 2 327.392 0.879 20 30 ECEDLO CC(C)N(CCN(C)c1ccc(C#N)nn1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125439965 734079827 /nfs/dbraw/zinc/07/98/27/734079827.db2.gz YOIFVHQTKCPJHM-HNNXBMFYSA-N 1 2 346.435 0.352 20 30 ECEDLO CC(C)N(CCN(C)c1ccc(C#N)nn1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125439965 734079831 /nfs/dbraw/zinc/07/98/31/734079831.db2.gz YOIFVHQTKCPJHM-HNNXBMFYSA-N 1 2 346.435 0.352 20 30 ECEDLO N#Cc1cccnc1NCC1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001067478809 734335753 /nfs/dbraw/zinc/33/57/53/734335753.db2.gz UROYVARCDGZMSI-UHFFFAOYSA-N 1 2 340.387 0.684 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC000971325458 734446847 /nfs/dbraw/zinc/44/68/47/734446847.db2.gz CDXSNRKOCBGDHF-NEPJUHHUSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC000971325458 734446849 /nfs/dbraw/zinc/44/68/49/734446849.db2.gz CDXSNRKOCBGDHF-NEPJUHHUSA-N 1 2 344.253 0.954 20 30 ECEDLO N#Cc1cncc(N2CCO[C@@H](CNC(=O)CCc3c[nH]c[nH+]3)C2)n1 ZINC001104352730 734600293 /nfs/dbraw/zinc/60/02/93/734600293.db2.gz GJYFFWXCXRZKGP-AWEZNQCLSA-N 1 2 341.375 0.026 20 30 ECEDLO N#Cc1cncc(N2CCO[C@@H](CNC(=O)CCc3c[nH+]c[nH]3)C2)n1 ZINC001104352730 734600295 /nfs/dbraw/zinc/60/02/95/734600295.db2.gz GJYFFWXCXRZKGP-AWEZNQCLSA-N 1 2 341.375 0.026 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCO[C@@H]3C[N@@H+](CC#CC)C[C@@H]32)nn1 ZINC001083219676 734674474 /nfs/dbraw/zinc/67/44/74/734674474.db2.gz JHZIVXKQFSHMCF-JKSUJKDBSA-N 1 2 329.404 0.403 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCO[C@@H]3C[N@H+](CC#CC)C[C@@H]32)nn1 ZINC001083219676 734674476 /nfs/dbraw/zinc/67/44/76/734674476.db2.gz JHZIVXKQFSHMCF-JKSUJKDBSA-N 1 2 329.404 0.403 20 30 ECEDLO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC000971592576 734777568 /nfs/dbraw/zinc/77/75/68/734777568.db2.gz OREDGGOLJHYVLL-MRXNPFEDSA-N 1 2 347.440 0.636 20 30 ECEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC000971592576 734777569 /nfs/dbraw/zinc/77/75/69/734777569.db2.gz OREDGGOLJHYVLL-MRXNPFEDSA-N 1 2 347.440 0.636 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2nccnc2C)C1 ZINC000971703367 734965142 /nfs/dbraw/zinc/96/51/42/734965142.db2.gz FUGKAPCZUKXTJF-AEFFLSMTSA-N 1 2 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738234634 /nfs/dbraw/zinc/23/46/34/738234634.db2.gz QHMIGLBLPSRWII-NWDGAFQWSA-N 1 2 332.429 0.789 20 30 ECEDLO CN1C[C@@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)CC1=O ZINC001038311922 738234639 /nfs/dbraw/zinc/23/46/39/738234639.db2.gz QHMIGLBLPSRWII-NWDGAFQWSA-N 1 2 332.429 0.789 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccn(C)n2)nn1 ZINC001028191805 751429624 /nfs/dbraw/zinc/42/96/24/751429624.db2.gz BVAPTWVHDGSLAZ-OAHLLOKOSA-N 1 2 343.435 0.982 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccn(C)n2)nn1 ZINC001028191805 751429630 /nfs/dbraw/zinc/42/96/30/751429630.db2.gz BVAPTWVHDGSLAZ-OAHLLOKOSA-N 1 2 343.435 0.982 20 30 ECEDLO C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)CCc1c[nH+]cn1C ZINC001104642073 739351170 /nfs/dbraw/zinc/35/11/70/739351170.db2.gz RDSMJDCUYVDODM-GFCCVEGCSA-N 1 2 327.392 0.973 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2O)C1 ZINC001025548652 739704489 /nfs/dbraw/zinc/70/44/89/739704489.db2.gz MCAKFAVYUMCTAA-ZIAGYGMSSA-N 1 2 332.404 0.387 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2O)C1 ZINC001025548652 739704492 /nfs/dbraw/zinc/70/44/92/739704492.db2.gz MCAKFAVYUMCTAA-ZIAGYGMSSA-N 1 2 332.404 0.387 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@H]2O)C1 ZINC001025545357 739706600 /nfs/dbraw/zinc/70/66/00/739706600.db2.gz CGGYVNZOSHYBMO-RRFJBIMHSA-N 1 2 346.431 0.878 20 30 ECEDLO Cc1cc(C)c(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)c(C)[nH+]1 ZINC001058654836 739806241 /nfs/dbraw/zinc/80/62/41/739806241.db2.gz JTFFYHBOOLISPR-GFCCVEGCSA-N 1 2 332.404 0.717 20 30 ECEDLO CCc1nc(C#N)cc(N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC001058919304 751512941 /nfs/dbraw/zinc/51/29/41/751512941.db2.gz INJZPSCHNQDZFT-LBPRGKRZSA-N 1 2 325.376 0.820 20 30 ECEDLO CN(C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(=O)c1c[nH]c(C#N)c1 ZINC000988094197 751525391 /nfs/dbraw/zinc/52/53/91/751525391.db2.gz KKMVKKGUPVXPRI-CYBMUJFWSA-N 1 2 340.387 0.704 20 30 ECEDLO C[C@H](C#N)C(=O)N(C)CCCN(C)c1ncnc2c1C[N@H+](C)CC2 ZINC001112061967 740891959 /nfs/dbraw/zinc/89/19/59/740891959.db2.gz VQOTXNYWDFDJRA-CYBMUJFWSA-N 1 2 330.436 0.909 20 30 ECEDLO C[C@H](C#N)C(=O)N(C)CCCN(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC001112061967 740891966 /nfs/dbraw/zinc/89/19/66/740891966.db2.gz VQOTXNYWDFDJRA-CYBMUJFWSA-N 1 2 330.436 0.909 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccoc3)C2)nn1 ZINC001098612067 740910176 /nfs/dbraw/zinc/91/01/76/740910176.db2.gz ZFUFPTCUYHQULK-MRXNPFEDSA-N 1 2 343.387 0.698 20 30 ECEDLO CC#CC[NH2+][C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@H]1C(F)(F)F ZINC001112079652 741338288 /nfs/dbraw/zinc/33/82/88/741338288.db2.gz RVIUSWXPWKURKG-GHMZBOCLSA-N 1 2 329.326 0.740 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[N@@H+]([C@H]3CCCNC3=O)CC2)nn1 ZINC000982142888 751638368 /nfs/dbraw/zinc/63/83/68/751638368.db2.gz LJOBNVIXCWSQHH-HNNXBMFYSA-N 1 2 346.435 0.281 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[N@H+]([C@H]3CCCNC3=O)CC2)nn1 ZINC000982142888 751638375 /nfs/dbraw/zinc/63/83/75/751638375.db2.gz LJOBNVIXCWSQHH-HNNXBMFYSA-N 1 2 346.435 0.281 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[N@H+](CC(=O)N3CCC3)CC2)nn1 ZINC000982143022 751640159 /nfs/dbraw/zinc/64/01/59/751640159.db2.gz MRQQHKXDCODQTA-UHFFFAOYSA-N 1 2 346.435 0.234 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[N@@H+](CC(=O)N3CCC3)CC2)nn1 ZINC000982143022 751640163 /nfs/dbraw/zinc/64/01/63/751640163.db2.gz MRQQHKXDCODQTA-UHFFFAOYSA-N 1 2 346.435 0.234 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C3CC(C)C3)C2)nn1 ZINC001105207286 741474203 /nfs/dbraw/zinc/47/42/03/741474203.db2.gz MEEBPTMSSMMQAX-UHFFFAOYSA-N 1 2 346.435 0.099 20 30 ECEDLO C#CCCCCC(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(=O)NC)nn2)C1 ZINC001105219783 741484989 /nfs/dbraw/zinc/48/49/89/741484989.db2.gz QIOKCXFEANVSNT-ZDUSSCGKSA-N 1 2 346.435 0.079 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC(n2cc(C[NH2+]C/C=C\Cl)nn2)C1 ZINC001105223895 741501572 /nfs/dbraw/zinc/50/15/72/741501572.db2.gz NQMPXJDRXBZTQG-FOSCPCJNSA-N 1 2 339.827 0.831 20 30 ECEDLO C#CCOCCC(=O)NC[C@H](Nc1nc(N(C)C)nc(C)[nH+]1)C(C)C ZINC001105225960 741507908 /nfs/dbraw/zinc/50/79/08/741507908.db2.gz YQFCRCPDQHQORJ-AWEZNQCLSA-N 1 2 348.451 0.839 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc4cc[nH]c4c3)C2)nn1 ZINC001105268385 741610111 /nfs/dbraw/zinc/61/01/11/741610111.db2.gz LTZMKMNBFDHWCX-UHFFFAOYSA-N 1 2 349.398 0.964 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H](C)c3ccncc3)C2)nn1 ZINC001105268373 741610202 /nfs/dbraw/zinc/61/02/02/741610202.db2.gz LJXVZVJTNMGHOT-AWEZNQCLSA-N 1 2 338.415 0.973 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]nc3CCC)C2)nn1 ZINC001105275616 741622344 /nfs/dbraw/zinc/62/23/44/741622344.db2.gz WKRPSRHZGPQOFJ-UHFFFAOYSA-N 1 2 327.392 0.374 20 30 ECEDLO CN(CC[NH+]1CCOCC1)C(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC000330155779 741624961 /nfs/dbraw/zinc/62/49/61/741624961.db2.gz OEUXVEPODBBJLR-UHFFFAOYSA-N 1 2 336.318 0.502 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(COC)o3)C2)nn1 ZINC001105278474 741633760 /nfs/dbraw/zinc/63/37/60/741633760.db2.gz FCLFLXDIAGAJJA-UHFFFAOYSA-N 1 2 343.387 0.828 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[C@@H]3C)C2)nn1 ZINC001105303904 741699580 /nfs/dbraw/zinc/69/95/80/741699580.db2.gz VFVZOWSMANSCPI-ZOWXZIJZSA-N 1 2 346.435 0.098 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CC(n2cc(C[NH2+][C@H](C)C(=O)NC)nn2)C1 ZINC001105309822 741718170 /nfs/dbraw/zinc/71/81/70/741718170.db2.gz DCBABPRYBSDHIJ-CHWSQXEVSA-N 1 2 348.451 0.488 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CC(n2cc(C[NH2+][C@@H]3CCNC3=O)nn2)C1 ZINC001105309993 741718662 /nfs/dbraw/zinc/71/86/62/741718662.db2.gz LLYIOMGETOTMSI-SWLSCSKDSA-N 1 2 346.435 0.242 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3C[C@H]3C)C2)nn1 ZINC001105320604 741774601 /nfs/dbraw/zinc/77/46/01/741774601.db2.gz CMXYOUIFDWAZNP-KGLIPLIRSA-N 1 2 331.420 0.447 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCc4nc[nH]c43)C2)nn1 ZINC001105325057 741798802 /nfs/dbraw/zinc/79/88/02/741798802.db2.gz CSJLJNSASMQMCG-CQSZACIVSA-N 1 2 339.403 0.227 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@H]32)nc1 ZINC000974678769 741995131 /nfs/dbraw/zinc/99/51/31/741995131.db2.gz JFGWLBRWTZNPPQ-NVXWUHKLSA-N 1 2 349.394 0.633 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(C)[nH]c3=O)C2)nn1 ZINC001105334431 742095766 /nfs/dbraw/zinc/09/57/66/742095766.db2.gz HHLCEWNYQNHXDY-UHFFFAOYSA-N 1 2 340.387 0.497 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CN2CCCNC2=O)C(C)(C)C1 ZINC000974767347 742157878 /nfs/dbraw/zinc/15/78/78/742157878.db2.gz NPCNCWMYYTZOAP-LBPRGKRZSA-N 1 2 328.844 0.981 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CN2CCCNC2=O)C(C)(C)C1 ZINC000974767347 742157881 /nfs/dbraw/zinc/15/78/81/742157881.db2.gz NPCNCWMYYTZOAP-LBPRGKRZSA-N 1 2 328.844 0.981 20 30 ECEDLO Cn1nnc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)CC2(C)C)n1 ZINC000974943430 742380591 /nfs/dbraw/zinc/38/05/91/742380591.db2.gz FLOOJKKZFMFIKZ-OAHLLOKOSA-N 1 2 338.415 0.702 20 30 ECEDLO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC2(C)C)n1 ZINC000974943430 742380598 /nfs/dbraw/zinc/38/05/98/742380598.db2.gz FLOOJKKZFMFIKZ-OAHLLOKOSA-N 1 2 338.415 0.702 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cc(C)no3)C2)C1=O ZINC001006744816 751755243 /nfs/dbraw/zinc/75/52/43/751755243.db2.gz WXDQYOSBHSGYJI-KGLIPLIRSA-N 1 2 332.404 0.964 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cc(C)no3)C2)C1=O ZINC001006744816 751755248 /nfs/dbraw/zinc/75/52/48/751755248.db2.gz WXDQYOSBHSGYJI-KGLIPLIRSA-N 1 2 332.404 0.964 20 30 ECEDLO COCCN(CCNC(=O)CCn1cc[nH+]c1)c1cnc(C#N)cn1 ZINC001126451351 742855728 /nfs/dbraw/zinc/85/57/28/742855728.db2.gz UHCLYVVYHJDBRS-UHFFFAOYSA-N 1 2 343.391 0.204 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ncnn3CC)C2)cn1 ZINC001028940001 742933610 /nfs/dbraw/zinc/93/36/10/742933610.db2.gz WOXVEOGTMCJMPT-AWEZNQCLSA-N 1 2 338.415 0.926 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](Cc3ncnn3CC)C2)cn1 ZINC001028940001 742933613 /nfs/dbraw/zinc/93/36/13/742933613.db2.gz WOXVEOGTMCJMPT-AWEZNQCLSA-N 1 2 338.415 0.926 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N(C)CCN(C)c1ncnc2c1C[N@H+](C)CC2 ZINC001105379552 742990298 /nfs/dbraw/zinc/99/02/98/742990298.db2.gz AEBGHGIREDLZBI-GOSISDBHSA-N 1 2 347.463 0.686 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N(C)CCN(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC001105379552 742990299 /nfs/dbraw/zinc/99/02/99/742990299.db2.gz AEBGHGIREDLZBI-GOSISDBHSA-N 1 2 347.463 0.686 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000975562964 743077032 /nfs/dbraw/zinc/07/70/32/743077032.db2.gz XKDORSIFULYSCE-KFWWJZLASA-N 1 2 346.431 0.898 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)nc1 ZINC000997092921 743225564 /nfs/dbraw/zinc/22/55/64/743225564.db2.gz KXUDQJIUCRJBSL-CQSZACIVSA-N 1 2 349.394 0.463 20 30 ECEDLO C=CCn1cccc1C(=O)N1CC(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000997242585 743395821 /nfs/dbraw/zinc/39/58/21/743395821.db2.gz JWRIDLGBINZEIF-UHFFFAOYSA-N 1 2 327.388 0.889 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@@H](C)C#N)C[C@@H]21 ZINC000975973406 743422218 /nfs/dbraw/zinc/42/22/18/743422218.db2.gz UHYPJDFAIFHOTJ-WHOFXGATSA-N 1 2 329.404 0.870 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@H]2C1 ZINC000975972643 743422351 /nfs/dbraw/zinc/42/23/51/743422351.db2.gz RGBRNZYPUMKSSU-DZKIICNBSA-N 1 2 343.431 0.962 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](OC)C3CCC3)C2)nn1 ZINC001098694697 743466699 /nfs/dbraw/zinc/46/66/99/743466699.db2.gz HFLQWNKDRGYANS-HZPDHXFCSA-N 1 2 331.420 0.589 20 30 ECEDLO C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cc[nH+]c2)C3)nc1 ZINC000997878505 743866449 /nfs/dbraw/zinc/86/64/49/743866449.db2.gz KPZNMCIEXDMFRZ-PVAVHDDUSA-N 1 2 349.394 0.821 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000976593849 744119611 /nfs/dbraw/zinc/11/96/11/744119611.db2.gz FVXOVRUHWPWYSJ-KDEOKCCVSA-N 1 2 344.415 0.437 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000998385796 744141588 /nfs/dbraw/zinc/14/15/88/744141588.db2.gz DIKMKAWYQUTBPP-BBRMVZONSA-N 1 2 332.404 0.651 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cn(CC)nn2)C1 ZINC000999390705 744670799 /nfs/dbraw/zinc/67/07/99/744670799.db2.gz GYCCWIIJJZAHJY-RDJZCZTQSA-N 1 2 344.463 0.476 20 30 ECEDLO O=C(Cc1cccnc1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083408163 745126395 /nfs/dbraw/zinc/12/63/95/745126395.db2.gz YFTZENMSJOXULJ-MOPGFXCFSA-N 1 2 335.407 0.837 20 30 ECEDLO O=C(Cc1cccnc1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083408163 745126398 /nfs/dbraw/zinc/12/63/98/745126398.db2.gz YFTZENMSJOXULJ-MOPGFXCFSA-N 1 2 335.407 0.837 20 30 ECEDLO CN(C[C@H]1CCN1C(=O)CCn1cc[nH+]c1)C(=O)c1c[nH]c(C#N)c1 ZINC000977579402 745204329 /nfs/dbraw/zinc/20/43/29/745204329.db2.gz AHNFQSAHRJDWSK-OAHLLOKOSA-N 1 2 340.387 0.846 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098697584 745233627 /nfs/dbraw/zinc/23/36/27/745233627.db2.gz IWCDRSDABMQVGD-CYBMUJFWSA-N 1 2 334.424 0.229 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)c3noc(C)n3)C2)nn1 ZINC001020700494 751990583 /nfs/dbraw/zinc/99/05/83/751990583.db2.gz RAEYEXUZQKVWAW-YUSALJHKSA-N 1 2 331.380 0.767 20 30 ECEDLO C#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCCCS3(=O)=O)CC2)CC1 ZINC001000174812 745312953 /nfs/dbraw/zinc/31/29/53/745312953.db2.gz PEMJHMWGLKYPPE-HNNXBMFYSA-N 1 2 338.473 0.948 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3nccnc3N)C2)C1=O ZINC001006944335 751994382 /nfs/dbraw/zinc/99/43/82/751994382.db2.gz HFWSPTMFVYRACM-OLZOCXBDSA-N 1 2 344.419 0.040 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3nccnc3N)C2)C1=O ZINC001006944335 751994384 /nfs/dbraw/zinc/99/43/84/751994384.db2.gz HFWSPTMFVYRACM-OLZOCXBDSA-N 1 2 344.419 0.040 20 30 ECEDLO C=CCn1cc(C(=O)N(C)C[C@H]2CCN2C(=O)Cc2[nH]cc[nH+]2)nn1 ZINC000977734332 745430870 /nfs/dbraw/zinc/43/08/70/745430870.db2.gz UQBWLVLSXHTTLU-GFCCVEGCSA-N 1 2 343.391 0.103 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3cnsn3)C2)nn1 ZINC001000403563 745478161 /nfs/dbraw/zinc/47/81/61/745478161.db2.gz LONJQIOVSMOCIX-LLVKDONJSA-N 1 2 333.421 0.710 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@@H]2O)[nH]1 ZINC001083413153 745482649 /nfs/dbraw/zinc/48/26/49/745482649.db2.gz BMNIOPZLCHWGCU-KGLIPLIRSA-N 1 2 348.794 0.211 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@@H]2O)[nH]1 ZINC001083413153 745482651 /nfs/dbraw/zinc/48/26/51/745482651.db2.gz BMNIOPZLCHWGCU-KGLIPLIRSA-N 1 2 348.794 0.211 20 30 ECEDLO Cc1ncsc1C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001083414664 745546559 /nfs/dbraw/zinc/54/65/59/745546559.db2.gz OUHOIWISIFZKBZ-OLZOCXBDSA-N 1 2 331.401 0.626 20 30 ECEDLO Cc1ncsc1C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001083414664 745546560 /nfs/dbraw/zinc/54/65/60/745546560.db2.gz OUHOIWISIFZKBZ-OLZOCXBDSA-N 1 2 331.401 0.626 20 30 ECEDLO CCc1nnc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)o1 ZINC000978022041 745787234 /nfs/dbraw/zinc/78/72/34/745787234.db2.gz OHVMXKLWGUASDI-XYYAHUGASA-N 1 2 340.387 0.940 20 30 ECEDLO CCc1nnc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)o1 ZINC000978022041 745787243 /nfs/dbraw/zinc/78/72/43/745787243.db2.gz OHVMXKLWGUASDI-XYYAHUGASA-N 1 2 340.387 0.940 20 30 ECEDLO N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@H]3CCc4c[nH+]cn4C3)C2)cn1 ZINC001059339413 746022825 /nfs/dbraw/zinc/02/28/25/746022825.db2.gz WLMVIWXQPBGQKA-AVGNSLFASA-N 1 2 337.387 0.866 20 30 ECEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@H]1CCC(=O)NC1 ZINC001038448060 746141020 /nfs/dbraw/zinc/14/10/20/746141020.db2.gz GRCNIWZRYXTNND-IRXDYDNUSA-N 1 2 325.412 0.755 20 30 ECEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@H]1CCC(=O)NC1 ZINC001038448060 746141022 /nfs/dbraw/zinc/14/10/22/746141022.db2.gz GRCNIWZRYXTNND-IRXDYDNUSA-N 1 2 325.412 0.755 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cn(C)nn2)[C@@H]1CC ZINC001087732454 746257230 /nfs/dbraw/zinc/25/72/30/746257230.db2.gz WNCVKJYWXMPQPJ-QXSJWSMHSA-N 1 2 333.436 0.875 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cn(C)nn2)[C@@H]1CC ZINC001087732454 746257235 /nfs/dbraw/zinc/25/72/35/746257235.db2.gz WNCVKJYWXMPQPJ-QXSJWSMHSA-N 1 2 333.436 0.875 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)[C@H]1CC ZINC001087758150 746291804 /nfs/dbraw/zinc/29/18/04/746291804.db2.gz DJGXXKDOKZCMDM-XQQFMLRXSA-N 1 2 349.884 0.742 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCN(C)S2(=O)=O)[C@H]1CC ZINC001087758150 746291807 /nfs/dbraw/zinc/29/18/07/746291807.db2.gz DJGXXKDOKZCMDM-XQQFMLRXSA-N 1 2 349.884 0.742 20 30 ECEDLO N#Cc1cc(C(=O)NCC2CN(C(=O)CCn3cc[nH+]c3)C2)c[nH]1 ZINC001001516376 746454217 /nfs/dbraw/zinc/45/42/17/746454217.db2.gz XWWHYIWSCNIUSY-UHFFFAOYSA-N 1 2 326.360 0.361 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3c(C)noc3Cl)C2)nn1 ZINC001105340772 746758878 /nfs/dbraw/zinc/75/88/78/746758878.db2.gz PHMYGEJRSRFXDF-UHFFFAOYSA-N 1 2 348.794 0.577 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](Nc2cnc(C#N)cn2)C1 ZINC001059414850 746765399 /nfs/dbraw/zinc/76/53/99/746765399.db2.gz QSBVCSIPWXGWMG-HBJVGIJOSA-N 1 2 337.387 0.945 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000984779083 746928966 /nfs/dbraw/zinc/92/89/66/746928966.db2.gz ODGPMULEURSXIF-DZGCQCFKSA-N 1 2 340.387 0.892 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[C@H](CCNC(=O)Cn3cc[nH+]c3)C2)[nH]1 ZINC001059489102 747387784 /nfs/dbraw/zinc/38/77/84/747387784.db2.gz IOFSDJWERAZYST-ZDUSSCGKSA-N 1 2 340.387 0.751 20 30 ECEDLO Cc1noc(C[NH2+][C@H](C)[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)n1 ZINC000979295657 747558914 /nfs/dbraw/zinc/55/89/14/747558914.db2.gz RKDVTVAKHXNTHV-QMTHXVAHSA-N 1 2 344.375 0.597 20 30 ECEDLO C=CCn1cccc1C(=O)NCC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001002614947 747574804 /nfs/dbraw/zinc/57/48/04/747574804.db2.gz ARRISWDWIVOYOL-UHFFFAOYSA-N 1 2 327.388 0.759 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cnns2)C1=O ZINC001027771640 747583939 /nfs/dbraw/zinc/58/39/39/747583939.db2.gz CADSQDDYKVNZLP-NEPJUHHUSA-N 1 2 335.433 0.519 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cnns2)C1=O ZINC001027771640 747583942 /nfs/dbraw/zinc/58/39/42/747583942.db2.gz CADSQDDYKVNZLP-NEPJUHHUSA-N 1 2 335.433 0.519 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](C)OCCC=C)C2)nn1 ZINC001098629662 747604386 /nfs/dbraw/zinc/60/43/86/747604386.db2.gz LHGNEBJKWKRTJR-ZBFHGGJFSA-N 1 2 331.420 0.756 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000979325281 747615753 /nfs/dbraw/zinc/61/57/53/747615753.db2.gz QVMULOLTRPJJBY-CTASWTNQSA-N 1 2 346.431 0.863 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000985341184 747744623 /nfs/dbraw/zinc/74/46/23/747744623.db2.gz KNESZIBSWAXIOP-GXTWGEPZSA-N 1 2 340.387 0.961 20 30 ECEDLO O=C(C#CC1CC1)N1CC(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001002782288 747778553 /nfs/dbraw/zinc/77/85/53/747778553.db2.gz PZIPGCWFEVDNEH-OAHLLOKOSA-N 1 2 326.400 0.434 20 30 ECEDLO COCc1noc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000988500477 752215271 /nfs/dbraw/zinc/21/52/71/752215271.db2.gz KCTRSAINDJWJLG-JQWIXIFHSA-N 1 2 344.375 0.809 20 30 ECEDLO C#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)C3=NC(=O)N(C)C3)CC2)C1 ZINC001088236849 747835426 /nfs/dbraw/zinc/83/54/26/747835426.db2.gz FEHGCKAPDSCWGR-HNNXBMFYSA-N 1 2 346.431 0.702 20 30 ECEDLO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)C3=NC(=O)N(C)C3)CC2)C1 ZINC001088236849 747835436 /nfs/dbraw/zinc/83/54/36/747835436.db2.gz FEHGCKAPDSCWGR-HNNXBMFYSA-N 1 2 346.431 0.702 20 30 ECEDLO C#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)CCc3cnn[nH]3)CC2)C1 ZINC001088238598 747862450 /nfs/dbraw/zinc/86/24/50/747862450.db2.gz XWXJHOAQGAMODZ-QGZVFWFLSA-N 1 2 345.447 0.700 20 30 ECEDLO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)CCc3cnn[nH]3)CC2)C1 ZINC001088238598 747862461 /nfs/dbraw/zinc/86/24/61/747862461.db2.gz XWXJHOAQGAMODZ-QGZVFWFLSA-N 1 2 345.447 0.700 20 30 ECEDLO C[C@H](NC(=O)Cn1cc[nH+]c1)C1CCN(c2ccnc(C#N)n2)CC1 ZINC001126743512 752228691 /nfs/dbraw/zinc/22/86/91/752228691.db2.gz BJGHRQDWHOKPII-ZDUSSCGKSA-N 1 2 339.403 0.966 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H](C[N@H+](C)Cc2ncnn2CC(F)F)C1 ZINC001029678851 748043826 /nfs/dbraw/zinc/04/38/26/748043826.db2.gz UBUNBLADDWYSRV-NEPJUHHUSA-N 1 2 340.378 0.983 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ncnn2CC(F)F)C1 ZINC001029678851 748043832 /nfs/dbraw/zinc/04/38/32/748043832.db2.gz UBUNBLADDWYSRV-NEPJUHHUSA-N 1 2 340.378 0.983 20 30 ECEDLO Cn1nnnc1C[N@H+](C)C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001029710794 748119498 /nfs/dbraw/zinc/11/94/98/748119498.db2.gz YAAFDLCKPZMECW-LLVKDONJSA-N 1 2 328.380 0.004 20 30 ECEDLO Cn1nnnc1C[N@@H+](C)C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001029710794 748119505 /nfs/dbraw/zinc/11/95/05/748119505.db2.gz YAAFDLCKPZMECW-LLVKDONJSA-N 1 2 328.380 0.004 20 30 ECEDLO C[N@@H+](Cc1nnc2n1CCOC2)C[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001029732974 748175341 /nfs/dbraw/zinc/17/53/41/748175341.db2.gz DEOQEZWEQGSBIE-HNNXBMFYSA-N 1 2 343.431 0.502 20 30 ECEDLO C[N@H+](Cc1nnc2n1CCOC2)C[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001029732974 748175347 /nfs/dbraw/zinc/17/53/47/748175347.db2.gz DEOQEZWEQGSBIE-HNNXBMFYSA-N 1 2 343.431 0.502 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cnn(CC)n3)C2)C1=O ZINC001007292705 752261651 /nfs/dbraw/zinc/26/16/51/752261651.db2.gz YXPJURJPQZBQAI-HIFRSBDPSA-N 1 2 346.435 0.279 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cnn(CC)n3)C2)C1=O ZINC001007292705 752261658 /nfs/dbraw/zinc/26/16/58/752261658.db2.gz YXPJURJPQZBQAI-HIFRSBDPSA-N 1 2 346.435 0.279 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](CC)OCC)C2)nn1 ZINC001098630593 748545244 /nfs/dbraw/zinc/54/52/44/748545244.db2.gz TYYCJNHAUKSXMM-HOTGVXAUSA-N 1 2 333.436 0.980 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)C2CCN(C(=O)Cc3ncn[nH]3)CC2)C1=O ZINC000985743411 748994134 /nfs/dbraw/zinc/99/41/34/748994134.db2.gz NXPXOVCSJBYMKQ-AWEZNQCLSA-N 1 2 346.435 0.057 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)Cc3ncn[nH]3)CC2)C1=O ZINC000985743411 748994138 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0.308 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001008847613 754198343 /nfs/dbraw/zinc/19/83/43/754198343.db2.gz URZHPJWQECGCOC-VTWZXRTESA-N 1 2 340.811 0.308 20 30 ECEDLO Cc1noc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)n1 ZINC001051529316 762278848 /nfs/dbraw/zinc/27/88/48/762278848.db2.gz ZGJHLWDGONZOLI-ZWNOBZJWSA-N 1 2 344.375 0.770 20 30 ECEDLO C=C(Br)C[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2ncn[nH]2)C1 ZINC000989658025 754263090 /nfs/dbraw/zinc/26/30/90/754263090.db2.gz RKDRTGULLGWJHH-UWVGGRQHSA-N 1 2 328.214 0.835 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3ncccn3)C2)C1=O ZINC001008956677 754357018 /nfs/dbraw/zinc/35/70/18/754357018.db2.gz OUYGDVXOQBHKRP-UONOGXRCSA-N 1 2 329.404 0.458 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3ncccn3)C2)C1=O ZINC001008956677 754357025 /nfs/dbraw/zinc/35/70/25/754357025.db2.gz OUYGDVXOQBHKRP-UONOGXRCSA-N 1 2 329.404 0.458 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cn(CC)nn3)C2)C1=O ZINC001009025563 754448233 /nfs/dbraw/zinc/44/82/33/754448233.db2.gz YDHRISHVIBEHOF-HIFRSBDPSA-N 1 2 346.435 0.279 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cn(CC)nn3)C2)C1=O ZINC001009025563 754448236 /nfs/dbraw/zinc/44/82/36/754448236.db2.gz YDHRISHVIBEHOF-HIFRSBDPSA-N 1 2 346.435 0.279 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)c[nH]1 ZINC000983034439 754478667 /nfs/dbraw/zinc/47/86/67/754478667.db2.gz UTPDEBPDNWEWTK-CYBMUJFWSA-N 1 2 340.387 0.751 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001009095521 754535389 /nfs/dbraw/zinc/53/53/89/754535389.db2.gz JVGBZHSKQLCCNM-NSHDSACASA-N 1 2 342.827 0.650 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001009095521 754535392 /nfs/dbraw/zinc/53/53/92/754535392.db2.gz JVGBZHSKQLCCNM-NSHDSACASA-N 1 2 342.827 0.650 20 30 ECEDLO C#CCOCCC(=O)NCC[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001060001916 754558800 /nfs/dbraw/zinc/55/88/00/754558800.db2.gz JJWGVXUUUSDXBR-MRXNPFEDSA-N 1 2 346.431 0.668 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001009263429 754719965 /nfs/dbraw/zinc/71/99/65/754719965.db2.gz VWKWZDRPGMVQND-OLZOCXBDSA-N 1 2 330.388 0.162 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001009263429 754719968 /nfs/dbraw/zinc/71/99/68/754719968.db2.gz VWKWZDRPGMVQND-OLZOCXBDSA-N 1 2 330.388 0.162 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3CC3)C2)nc1 ZINC001009268455 754724672 /nfs/dbraw/zinc/72/46/72/754724672.db2.gz JGEGLDHRJZEXNV-BBRMVZONSA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)nc1 ZINC001009268455 754724673 /nfs/dbraw/zinc/72/46/73/754724673.db2.gz JGEGLDHRJZEXNV-BBRMVZONSA-N 1 2 340.427 0.924 20 30 ECEDLO CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)o1 ZINC001051555954 762332013 /nfs/dbraw/zinc/33/20/13/762332013.db2.gz QHIMSBUGOHEWHP-GFCCVEGCSA-N 1 2 344.375 0.463 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001009575541 755012785 /nfs/dbraw/zinc/01/27/85/755012785.db2.gz DDYYHGRMAAEMON-UONOGXRCSA-N 1 2 329.828 0.567 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001009575541 755012788 /nfs/dbraw/zinc/01/27/88/755012788.db2.gz DDYYHGRMAAEMON-UONOGXRCSA-N 1 2 329.828 0.567 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ncnn2CC)C1 ZINC001028809124 755197996 /nfs/dbraw/zinc/19/79/96/755197996.db2.gz KLPMQSMYZBYJKW-ZNMIVQPWSA-N 1 2 333.436 0.827 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ncnn2CC)C1 ZINC001028809124 755197997 /nfs/dbraw/zinc/19/79/97/755197997.db2.gz KLPMQSMYZBYJKW-ZNMIVQPWSA-N 1 2 333.436 0.827 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+]([C@@H](C)c3nncn3C)C2)nn1 ZINC001028852510 755311442 /nfs/dbraw/zinc/31/14/42/755311442.db2.gz KCRYYFGMVOZDIP-STQMWFEESA-N 1 2 344.423 0.406 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+]([C@@H](C)c3nncn3C)C2)nn1 ZINC001028852510 755311447 /nfs/dbraw/zinc/31/14/47/755311447.db2.gz KCRYYFGMVOZDIP-STQMWFEESA-N 1 2 344.423 0.406 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3nnc(C)[nH]3)C2)nn1 ZINC001028852894 755312250 /nfs/dbraw/zinc/31/22/50/755312250.db2.gz OSDKAJIMERYIQM-LBPRGKRZSA-N 1 2 330.396 0.143 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3nnc(C)[nH]3)C2)nn1 ZINC001028852894 755312256 /nfs/dbraw/zinc/31/22/56/755312256.db2.gz OSDKAJIMERYIQM-LBPRGKRZSA-N 1 2 330.396 0.143 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3ncnn3C)C2)nn1 ZINC001028856699 755319713 /nfs/dbraw/zinc/31/97/13/755319713.db2.gz NNFFLPXZPVBFJM-CYBMUJFWSA-N 1 2 344.423 0.235 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3ncnn3C)C2)nn1 ZINC001028856699 755319717 /nfs/dbraw/zinc/31/97/17/755319717.db2.gz NNFFLPXZPVBFJM-CYBMUJFWSA-N 1 2 344.423 0.235 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cn3cncc3C)[C@H]2C)C1=O ZINC001088750466 755481406 /nfs/dbraw/zinc/48/14/06/755481406.db2.gz OHDJMGKHBRAJHK-PMPSAXMXSA-N 1 2 345.447 0.557 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cn3cncc3C)[C@H]2C)C1=O ZINC001088750466 755481411 /nfs/dbraw/zinc/48/14/11/755481411.db2.gz OHDJMGKHBRAJHK-PMPSAXMXSA-N 1 2 345.447 0.557 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C=C(CC)CC)[C@H](OC)C1 ZINC001212124813 755928814 /nfs/dbraw/zinc/92/88/14/755928814.db2.gz DNKUSQAIMKLWLG-FVQBIDKESA-N 1 2 335.448 0.686 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C=C(CC)CC)[C@H](OC)C1 ZINC001212124813 755928818 /nfs/dbraw/zinc/92/88/18/755928818.db2.gz DNKUSQAIMKLWLG-FVQBIDKESA-N 1 2 335.448 0.686 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)C2)c1 ZINC001010468041 756159893 /nfs/dbraw/zinc/15/98/93/756159893.db2.gz FNAYTMHSNZPKIH-YPMHNXCESA-N 1 2 336.417 0.125 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)C2)c1 ZINC001010468041 756159895 /nfs/dbraw/zinc/15/98/95/756159895.db2.gz FNAYTMHSNZPKIH-YPMHNXCESA-N 1 2 336.417 0.125 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)C2)c1 ZINC001010468036 756159958 /nfs/dbraw/zinc/15/99/58/756159958.db2.gz FNAYTMHSNZPKIH-WCQYABFASA-N 1 2 336.417 0.125 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C2)c1 ZINC001010468036 756159961 /nfs/dbraw/zinc/15/99/61/756159961.db2.gz FNAYTMHSNZPKIH-WCQYABFASA-N 1 2 336.417 0.125 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)CN3CCOCC3)C2)c1 ZINC001010672075 756379150 /nfs/dbraw/zinc/37/91/50/756379150.db2.gz UYMGECIGAKEUOY-INIZCTEOSA-N 1 2 346.406 0.720 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)CN3CCOCC3)C2)c1 ZINC001010672075 756379154 /nfs/dbraw/zinc/37/91/54/756379154.db2.gz UYMGECIGAKEUOY-INIZCTEOSA-N 1 2 346.406 0.720 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001076495094 756567009 /nfs/dbraw/zinc/56/70/09/756567009.db2.gz FHLALNDDFOBLIZ-WFASDCNBSA-N 1 2 349.435 0.434 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001010830283 756577862 /nfs/dbraw/zinc/57/78/62/756577862.db2.gz MTGCTJJBWZTJSM-CYBMUJFWSA-N 1 2 329.404 0.573 20 30 ECEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1COC(=O)N1 ZINC001010842167 756591645 /nfs/dbraw/zinc/59/16/45/756591645.db2.gz OSFWIKXZMWOLHR-LSDHHAIUSA-N 1 2 331.347 0.476 20 30 ECEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1COC(=O)N1 ZINC001010842167 756591647 /nfs/dbraw/zinc/59/16/47/756591647.db2.gz OSFWIKXZMWOLHR-LSDHHAIUSA-N 1 2 331.347 0.476 20 30 ECEDLO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC001010867977 756616501 /nfs/dbraw/zinc/61/65/01/756616501.db2.gz FAECWHWPMFQYCG-CYBMUJFWSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC001010867977 756616505 /nfs/dbraw/zinc/61/65/05/756616505.db2.gz FAECWHWPMFQYCG-CYBMUJFWSA-N 1 2 328.351 0.830 20 30 ECEDLO N#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)[nH]1 ZINC000990894671 756742065 /nfs/dbraw/zinc/74/20/65/756742065.db2.gz YHCCTKHKOMULSF-NSHDSACASA-N 1 2 338.371 0.286 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CCCOCC3)C2)nn1 ZINC001098665192 756778903 /nfs/dbraw/zinc/77/89/03/756778903.db2.gz VNVJBVROUDHKGE-RDJZCZTQSA-N 1 2 345.447 0.981 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001076739012 756946296 /nfs/dbraw/zinc/94/62/96/756946296.db2.gz DLLXOQSWEULUMW-MJBXVCDLSA-N 1 2 334.420 0.944 20 30 ECEDLO CC1(C)CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C[C@@H]1NCC#N ZINC000996094065 756946688 /nfs/dbraw/zinc/94/66/88/756946688.db2.gz XAPDOACQUIISRM-HOTGVXAUSA-N 1 2 334.464 0.837 20 30 ECEDLO CC1(C)CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C[C@@H]1NCC#N ZINC000996094065 756946693 /nfs/dbraw/zinc/94/66/93/756946693.db2.gz XAPDOACQUIISRM-HOTGVXAUSA-N 1 2 334.464 0.837 20 30 ECEDLO C=CCCC(=O)NCc1cn(C2C[NH+](CCc3ccnn3C)C2)nn1 ZINC001107142410 757010494 /nfs/dbraw/zinc/01/04/94/757010494.db2.gz DIKAMWWSWDZMBT-UHFFFAOYSA-N 1 2 343.435 0.693 20 30 ECEDLO C[C@H]1CC[C@H](C[NH+]2CC(n3cc(CNC(=O)C#CC4CC4)nn3)C2)O1 ZINC001107169570 757206934 /nfs/dbraw/zinc/20/69/34/757206934.db2.gz ODZYAJVQKMRCEY-SUMWQHHRSA-N 1 2 343.431 0.732 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)Cc3ccn(C)n3)nn2)C1 ZINC001107171324 757218293 /nfs/dbraw/zinc/21/82/93/757218293.db2.gz SFJLWMXZRVQZEM-UHFFFAOYSA-N 1 2 329.408 0.303 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@H]3CC3(F)F)nn2)C1 ZINC001107167513 757234440 /nfs/dbraw/zinc/23/44/40/757234440.db2.gz ZZXKNCRLHVNCDO-CYBMUJFWSA-N 1 2 341.362 0.609 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCc3ccnn3C)nn2)C1 ZINC001107176852 757257035 /nfs/dbraw/zinc/25/70/35/757257035.db2.gz QCUQYNZFECIDNP-UHFFFAOYSA-N 1 2 329.408 0.303 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccon3)C2)s1 ZINC001076819966 757299927 /nfs/dbraw/zinc/29/99/27/757299927.db2.gz HLLFPQKJPDZUMX-ZIAGYGMSSA-N 1 2 332.385 0.512 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccon3)C2)s1 ZINC001076819966 757299933 /nfs/dbraw/zinc/29/99/33/757299933.db2.gz HLLFPQKJPDZUMX-ZIAGYGMSSA-N 1 2 332.385 0.512 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCc3ccccn3)nn2)C1 ZINC001107190883 757440094 /nfs/dbraw/zinc/44/00/94/757440094.db2.gz GIFDHLPBALSUEI-UHFFFAOYSA-N 1 2 326.404 0.965 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)Cc3ccc(OC)cn3)nn2)C1 ZINC001107199810 757588600 /nfs/dbraw/zinc/58/86/00/757588600.db2.gz OZFIPRCZFUTOBF-UHFFFAOYSA-N 1 2 342.403 0.583 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3=CCOCC3)C2)cc1F ZINC001076919277 757594043 /nfs/dbraw/zinc/59/40/43/757594043.db2.gz FAUAPQIXMXGPRP-IAGOWNOFSA-N 1 2 345.374 0.705 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3=CCOCC3)C2)cc1F ZINC001076919277 757594055 /nfs/dbraw/zinc/59/40/55/757594055.db2.gz FAUAPQIXMXGPRP-IAGOWNOFSA-N 1 2 345.374 0.705 20 30 ECEDLO Cn1nnnc1C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C#CC2CC2)C1 ZINC001021585905 757643330 /nfs/dbraw/zinc/64/33/30/757643330.db2.gz XLMLEUVNRQIPPX-HUUCEWRRSA-N 1 2 328.420 0.436 20 30 ECEDLO Cn1nnnc1C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C#CC2CC2)C1 ZINC001021585905 757643334 /nfs/dbraw/zinc/64/33/34/757643334.db2.gz XLMLEUVNRQIPPX-HUUCEWRRSA-N 1 2 328.420 0.436 20 30 ECEDLO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001049015143 757699754 /nfs/dbraw/zinc/69/97/54/757699754.db2.gz GFMZBCGXOHDBQB-BPUTZDHNSA-N 1 2 346.431 0.442 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1c1ccnc(C#N)n1 ZINC001049021879 757719695 /nfs/dbraw/zinc/71/96/95/757719695.db2.gz HFXOSCOMVLIBPD-QWHCGFSZSA-N 1 2 325.376 0.788 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C(C)(C)NC(C)=O)nn2)C1 ZINC001107221261 757859654 /nfs/dbraw/zinc/85/96/54/757859654.db2.gz PSSUEPCXKFZQGM-UHFFFAOYSA-N 1 2 334.424 0.242 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2csc([C@H]3CCCO3)n2)C1 ZINC001077000591 757881200 /nfs/dbraw/zinc/88/12/00/757881200.db2.gz IEPBABQNSGKSDZ-MRVWCRGKSA-N 1 2 335.429 0.793 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2csc([C@H]3CCCO3)n2)C1 ZINC001077000591 757881214 /nfs/dbraw/zinc/88/12/14/757881214.db2.gz IEPBABQNSGKSDZ-MRVWCRGKSA-N 1 2 335.429 0.793 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C[C@H](C)n3cccn3)nn2)C1 ZINC001107227995 757983479 /nfs/dbraw/zinc/98/34/79/757983479.db2.gz WRKLSCFAKQQXBX-AWEZNQCLSA-N 1 2 341.419 0.622 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nnnn3C)C[C@@H]2C1 ZINC001049111052 757986148 /nfs/dbraw/zinc/98/61/48/757986148.db2.gz HSFVJNCFWVCMMT-FQLMCAECSA-N 1 2 346.435 0.082 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nnnn3C)C[C@@H]2C1 ZINC001049111052 757986156 /nfs/dbraw/zinc/98/61/56/757986156.db2.gz HSFVJNCFWVCMMT-FQLMCAECSA-N 1 2 346.435 0.082 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)c3cnn(C)c3)nn2)C1 ZINC001107243635 758003935 /nfs/dbraw/zinc/00/39/35/758003935.db2.gz DALHJSZLNXQTKM-LBPRGKRZSA-N 1 2 329.408 0.474 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001049125978 758046436 /nfs/dbraw/zinc/04/64/36/758046436.db2.gz MQOKAUCCXYIHGV-JYJNAYRXSA-N 1 2 348.447 0.906 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001049126040 758047904 /nfs/dbraw/zinc/04/79/04/758047904.db2.gz OXZHIJRGYRSEON-MPGHIAIKSA-N 1 2 348.447 0.906 20 30 ECEDLO C=CCn1cccc1C(=O)N1CCO[C@@H](C[NH2+]Cc2nc(C)no2)C1 ZINC001051654804 762604138 /nfs/dbraw/zinc/60/41/38/762604138.db2.gz UQAWQMVFZZXVCU-AWEZNQCLSA-N 1 2 345.403 0.996 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1O ZINC001049163732 758186755 /nfs/dbraw/zinc/18/67/55/758186755.db2.gz NXYWYLHLCRCOPC-GJZGRUSLSA-N 1 2 348.447 0.595 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001011669640 758259564 /nfs/dbraw/zinc/25/95/64/758259564.db2.gz RQVCPIBZVZJKJR-IAQYHMDHSA-N 1 2 340.387 0.582 20 30 ECEDLO C#CCOCCC(=O)NC/C=C\CNc1[nH+]cnc2c1cnn2C ZINC001107344649 758354903 /nfs/dbraw/zinc/35/49/03/758354903.db2.gz PRQWQLMGNOLVRO-PLNGDYQASA-N 1 2 328.376 0.488 20 30 ECEDLO N#Cc1cncc(NC/C=C/CNC(=O)[C@H]2CCn3c[nH+]cc3C2)n1 ZINC001107389373 758415502 /nfs/dbraw/zinc/41/55/02/758415502.db2.gz JPZQLKYXTQBEQP-AORQRIRUSA-N 1 2 337.387 0.892 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)CCCn1cc[nH+]c1 ZINC001077170873 758423662 /nfs/dbraw/zinc/42/36/62/758423662.db2.gz GAKATAIYEBQJLH-LSDHHAIUSA-N 1 2 334.420 0.713 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCN(C(=O)CCn3cc[nH+]c3)CC2)c1 ZINC001011733949 758434262 /nfs/dbraw/zinc/43/42/62/758434262.db2.gz AWKHFNYAYUWJCC-UHFFFAOYSA-N 1 2 337.383 0.634 20 30 ECEDLO N#Cc1cnc(NC/C=C/CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cn1 ZINC001107394614 758451385 /nfs/dbraw/zinc/45/13/85/758451385.db2.gz NKYIRQAHKCAQSP-ZIYVKSGCSA-N 1 2 337.387 0.892 20 30 ECEDLO N#Cc1nccc(NC/C=C\CNC(=O)[C@H]2CCn3cc[nH+]c3C2)n1 ZINC001107394668 758451556 /nfs/dbraw/zinc/45/15/56/758451556.db2.gz NXKYINNXHUPZKQ-FYDYADQUSA-N 1 2 337.387 0.314 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N(C)[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1O ZINC001049275740 758466839 /nfs/dbraw/zinc/46/68/39/758466839.db2.gz MLPSRGKSOKPVTP-BPUTZDHNSA-N 1 2 348.447 0.893 20 30 ECEDLO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccsn3)C2)c1 ZINC001077204931 758499362 /nfs/dbraw/zinc/49/93/62/758499362.db2.gz DRCMMICDCJQGRM-HUUCEWRRSA-N 1 2 328.397 0.990 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccsn3)C2)c1 ZINC001077204931 758499364 /nfs/dbraw/zinc/49/93/64/758499364.db2.gz DRCMMICDCJQGRM-HUUCEWRRSA-N 1 2 328.397 0.990 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3[nH]c(C)cc3C)C2)C1=O ZINC001077239711 758575113 /nfs/dbraw/zinc/57/51/13/758575113.db2.gz NCDPKSJFVOWJNQ-QLFBSQMISA-N 1 2 346.431 0.193 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3[nH]c(C)cc3C)C2)C1=O ZINC001077239711 758575120 /nfs/dbraw/zinc/57/51/20/758575120.db2.gz NCDPKSJFVOWJNQ-QLFBSQMISA-N 1 2 346.431 0.193 20 30 ECEDLO C=CCn1cc(C(=O)NC2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)nn1 ZINC000991675863 762653614 /nfs/dbraw/zinc/65/36/14/762653614.db2.gz HUYVXUYXJVZXPB-LLVKDONJSA-N 1 2 343.391 0.007 20 30 ECEDLO C=CCn1cc(C(=O)NC2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)nn1 ZINC000991675863 762653623 /nfs/dbraw/zinc/65/36/23/762653623.db2.gz HUYVXUYXJVZXPB-LLVKDONJSA-N 1 2 343.391 0.007 20 30 ECEDLO NC(=O)c1cc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)c[nH]1 ZINC001032187842 759406387 /nfs/dbraw/zinc/40/63/87/759406387.db2.gz IDODNWLZEGICBS-UHFFFAOYSA-N 1 2 336.395 0.827 20 30 ECEDLO COCCc1noc(C[N@@H+]2C[C@@H]3CCCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)n1 ZINC001050000200 759525871 /nfs/dbraw/zinc/52/58/71/759525871.db2.gz RVJPNLBSVQYEJV-MELADBBJSA-N 1 2 347.419 0.841 20 30 ECEDLO COCCc1noc(C[N@H+]2C[C@@H]3CCCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)n1 ZINC001050000200 759525875 /nfs/dbraw/zinc/52/58/75/759525875.db2.gz RVJPNLBSVQYEJV-MELADBBJSA-N 1 2 347.419 0.841 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4[nH]nnc4C3)[C@@H]2C1 ZINC001050183118 759889056 /nfs/dbraw/zinc/88/90/56/759889056.db2.gz PJOPICBAMPQFMU-JKIFEVAISA-N 1 2 327.432 0.856 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4[nH]nnc4C3)[C@@H]2C1 ZINC001050183118 759889067 /nfs/dbraw/zinc/88/90/67/759889067.db2.gz PJOPICBAMPQFMU-JKIFEVAISA-N 1 2 327.432 0.856 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4nn[nH]c4C3)[C@@H]2C1 ZINC001050183118 759889077 /nfs/dbraw/zinc/88/90/77/759889077.db2.gz PJOPICBAMPQFMU-JKIFEVAISA-N 1 2 327.432 0.856 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4nn[nH]c4C3)[C@@H]2C1 ZINC001050183118 759889089 /nfs/dbraw/zinc/88/90/89/759889089.db2.gz PJOPICBAMPQFMU-JKIFEVAISA-N 1 2 327.432 0.856 20 30 ECEDLO CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](OC)C1 ZINC001212138986 759945531 /nfs/dbraw/zinc/94/55/31/759945531.db2.gz MVWOYWNSVDCZSF-KCPJHIHWSA-N 1 2 347.419 0.230 20 30 ECEDLO CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](OC)C1 ZINC001212138986 759945535 /nfs/dbraw/zinc/94/55/35/759945535.db2.gz MVWOYWNSVDCZSF-KCPJHIHWSA-N 1 2 347.419 0.230 20 30 ECEDLO C=CCOCCCC(=O)NCC[NH2+][C@H](C)c1nc(COC)no1 ZINC001125252813 760020389 /nfs/dbraw/zinc/02/03/89/760020389.db2.gz ORYUVJRYXATBCM-GFCCVEGCSA-N 1 2 326.397 0.966 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H]([C@@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001050304833 760092849 /nfs/dbraw/zinc/09/28/49/760092849.db2.gz OWOQUJFODVQEJS-CABCVRRESA-N 1 2 334.420 0.829 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001012498888 760099624 /nfs/dbraw/zinc/09/96/24/760099624.db2.gz ZXTXGTOBFMRSBM-MFKMUULPSA-N 1 2 326.360 0.571 20 30 ECEDLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000945385781 760179507 /nfs/dbraw/zinc/17/95/07/760179507.db2.gz QSHOAYQYLYFYEL-SWLSCSKDSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000945387879 760188855 /nfs/dbraw/zinc/18/88/55/760188855.db2.gz YCMBRLSHYNMCTK-OCCSQVGLSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1c1nccnc1C#N ZINC001050454901 760290089 /nfs/dbraw/zinc/29/00/89/760290089.db2.gz QHIAOEJCLVQDFO-YPMHNXCESA-N 1 2 325.376 0.408 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCOC2)C1=O ZINC001017402290 767937691 /nfs/dbraw/zinc/93/76/91/767937691.db2.gz UTLNYMYZBIQXQZ-CAOSSQGBSA-N 1 2 333.432 0.485 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCOC2)C1=O ZINC001017402290 767937695 /nfs/dbraw/zinc/93/76/95/767937695.db2.gz UTLNYMYZBIQXQZ-CAOSSQGBSA-N 1 2 333.432 0.485 20 30 ECEDLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001050483295 760337525 /nfs/dbraw/zinc/33/75/25/760337525.db2.gz MPDHATJYEPYHBE-NEPJUHHUSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001050483298 760337565 /nfs/dbraw/zinc/33/75/65/760337565.db2.gz MPDHATJYEPYHBE-VXGBXAGGSA-N 1 2 340.387 0.819 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C)nn1 ZINC001012615846 760433970 /nfs/dbraw/zinc/43/39/70/760433970.db2.gz BFLCQVPJEUIBAJ-QWHCGFSZSA-N 1 2 343.391 0.080 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@H]2C)nn1 ZINC001012616835 760438664 /nfs/dbraw/zinc/43/86/64/760438664.db2.gz NCVQPPMYKYEOPR-YPMHNXCESA-N 1 2 343.391 0.149 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)nn1 ZINC001012617185 760440030 /nfs/dbraw/zinc/44/00/30/760440030.db2.gz RHLJTZJWXVKBBN-NWDGAFQWSA-N 1 2 343.391 0.149 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@H]3CCCO3)nn2)C1 ZINC001107120066 760457599 /nfs/dbraw/zinc/45/75/99/760457599.db2.gz UCAGCUXSPVKKPW-OAHLLOKOSA-N 1 2 335.408 0.133 20 30 ECEDLO C[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2CNc2cncc(C#N)n2)C1 ZINC001060225319 760482607 /nfs/dbraw/zinc/48/26/07/760482607.db2.gz NNGNUWOEMBUYGU-HUUCEWRRSA-N 1 2 344.419 0.472 20 30 ECEDLO C[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2CNc2cncc(C#N)n2)C1 ZINC001060225319 760482615 /nfs/dbraw/zinc/48/26/15/760482615.db2.gz NNGNUWOEMBUYGU-HUUCEWRRSA-N 1 2 344.419 0.472 20 30 ECEDLO C[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2CNc2cnc(C#N)cn2)C1 ZINC001060225681 760499646 /nfs/dbraw/zinc/49/96/46/760499646.db2.gz XAVVNVMPPAVONR-HUUCEWRRSA-N 1 2 344.419 0.472 20 30 ECEDLO C[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2CNc2cnc(C#N)cn2)C1 ZINC001060225681 760499651 /nfs/dbraw/zinc/49/96/51/760499651.db2.gz XAVVNVMPPAVONR-HUUCEWRRSA-N 1 2 344.419 0.472 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)SC)nn2)C1 ZINC001107132173 760548251 /nfs/dbraw/zinc/54/82/51/760548251.db2.gz LYQBGCTZMWILLO-GFCCVEGCSA-N 1 2 339.465 0.705 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)COC3CCCC3)nn2)C1 ZINC001107136624 760846564 /nfs/dbraw/zinc/84/65/64/760846564.db2.gz DGFFQKUNEJBFFC-UHFFFAOYSA-N 1 2 331.420 0.734 20 30 ECEDLO C#CCCN1CCOC[C@@H]1CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001050924078 761152340 /nfs/dbraw/zinc/15/23/40/761152340.db2.gz BYWCROWRSMJZAH-WMLDXEAASA-N 1 2 345.447 0.630 20 30 ECEDLO C#CCCN1CCOC[C@@H]1CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001050924078 761152344 /nfs/dbraw/zinc/15/23/44/761152344.db2.gz BYWCROWRSMJZAH-WMLDXEAASA-N 1 2 345.447 0.630 20 30 ECEDLO C#CCN1CCOC[C@H]1CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001050924663 761153438 /nfs/dbraw/zinc/15/34/38/761153438.db2.gz JEJXASFUOWVZAB-CJNGLKHVSA-N 1 2 331.420 0.240 20 30 ECEDLO C#CCN1CCOC[C@H]1CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001050924663 761153442 /nfs/dbraw/zinc/15/34/42/761153442.db2.gz JEJXASFUOWVZAB-CJNGLKHVSA-N 1 2 331.420 0.240 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCc2ncncc2C1 ZINC001050953176 761209835 /nfs/dbraw/zinc/20/98/35/761209835.db2.gz ZHTJJQYZUIWBEU-HOCLYGCPSA-N 1 2 330.432 0.975 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCc2ncncc2C1 ZINC001050953176 761209843 /nfs/dbraw/zinc/20/98/43/761209843.db2.gz ZHTJJQYZUIWBEU-HOCLYGCPSA-N 1 2 330.432 0.975 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCc2ncncc2C1 ZINC001050953174 761209985 /nfs/dbraw/zinc/20/99/85/761209985.db2.gz ZHTJJQYZUIWBEU-GOEBONIOSA-N 1 2 330.432 0.975 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCc2ncncc2C1 ZINC001050953174 761209995 /nfs/dbraw/zinc/20/99/95/761209995.db2.gz ZHTJJQYZUIWBEU-GOEBONIOSA-N 1 2 330.432 0.975 20 30 ECEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C(=O)NCC(F)F)CC2)C1 ZINC001105714087 761246498 /nfs/dbraw/zinc/24/64/98/761246498.db2.gz IRBATYLYNKARPO-UHFFFAOYSA-N 1 2 345.390 0.636 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cn2c(n1)C[C@H](OC)CC2 ZINC001050972971 761254496 /nfs/dbraw/zinc/25/44/96/761254496.db2.gz ZKXXBFNJUPDEKU-HUUCEWRRSA-N 1 2 348.447 0.851 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cn2c(n1)C[C@H](OC)CC2 ZINC001050972971 761254503 /nfs/dbraw/zinc/25/45/03/761254503.db2.gz ZKXXBFNJUPDEKU-HUUCEWRRSA-N 1 2 348.447 0.851 20 30 ECEDLO CC#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001050991034 761285624 /nfs/dbraw/zinc/28/56/24/761285624.db2.gz SEFPAAKPNKBZJS-CABCVRRESA-N 1 2 330.432 0.663 20 30 ECEDLO CC#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001050991034 761285627 /nfs/dbraw/zinc/28/56/27/761285627.db2.gz SEFPAAKPNKBZJS-CABCVRRESA-N 1 2 330.432 0.663 20 30 ECEDLO C[C@H](NC(=O)CSCC#N)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001050993441 761289479 /nfs/dbraw/zinc/28/94/79/761289479.db2.gz MZYAHJJHLSOMJX-STQMWFEESA-N 1 2 349.460 0.952 20 30 ECEDLO C[C@H](NC(=O)CSCC#N)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001050993441 761289482 /nfs/dbraw/zinc/28/94/82/761289482.db2.gz MZYAHJJHLSOMJX-STQMWFEESA-N 1 2 349.460 0.952 20 30 ECEDLO C#CCOCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001050993506 761289555 /nfs/dbraw/zinc/28/95/55/761289555.db2.gz NKIHTQQASZWPLZ-CABCVRRESA-N 1 2 346.431 0.735 20 30 ECEDLO C#CCOCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001050993506 761289557 /nfs/dbraw/zinc/28/95/57/761289557.db2.gz NKIHTQQASZWPLZ-CABCVRRESA-N 1 2 346.431 0.735 20 30 ECEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CCCS(C)(=O)=O)CC2)C1 ZINC001105726027 761349236 /nfs/dbraw/zinc/34/92/36/761349236.db2.gz AWZGSMKPACQSJJ-UHFFFAOYSA-N 1 2 344.477 0.689 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)nc1 ZINC001013470855 761458390 /nfs/dbraw/zinc/45/83/90/761458390.db2.gz RHMYCAIJMHCAFI-JSGCOSHPSA-N 1 2 337.383 0.748 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C[C@H]1C ZINC001013494202 761486777 /nfs/dbraw/zinc/48/67/77/761486777.db2.gz ZPEUSCHFWNKTRY-ZWNOBZJWSA-N 1 2 340.387 0.880 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C[C@@H]1C ZINC001013494160 761486924 /nfs/dbraw/zinc/48/69/24/761486924.db2.gz ZLCUHBFNUVRNND-HZMBPMFUSA-N 1 2 340.387 0.880 20 30 ECEDLO C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001054571610 768045596 /nfs/dbraw/zinc/04/55/96/768045596.db2.gz KWPONKAGKVPQRL-GWCFXTLKSA-N 1 2 343.391 0.586 20 30 ECEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001054571613 768045738 /nfs/dbraw/zinc/04/57/38/768045738.db2.gz KWPONKAGKVPQRL-ZWNOBZJWSA-N 1 2 343.391 0.586 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1nnn(C)c1C(F)(F)F ZINC001051156749 761580820 /nfs/dbraw/zinc/58/08/20/761580820.db2.gz XMYJLGRYCBSYEK-SNVBAGLBSA-N 1 2 347.341 0.841 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1nnn(C)c1C(F)(F)F ZINC001051156749 761580824 /nfs/dbraw/zinc/58/08/24/761580824.db2.gz XMYJLGRYCBSYEK-SNVBAGLBSA-N 1 2 347.341 0.841 20 30 ECEDLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(C#N)c1 ZINC001017491709 768055165 /nfs/dbraw/zinc/05/51/65/768055165.db2.gz YNQROYWFWKKGHP-TUKIKUTGSA-N 1 2 329.404 0.652 20 30 ECEDLO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(C#N)c1 ZINC001017491709 768055171 /nfs/dbraw/zinc/05/51/71/768055171.db2.gz YNQROYWFWKKGHP-TUKIKUTGSA-N 1 2 329.404 0.652 20 30 ECEDLO N#CCN1CCOC[C@@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001051192206 761656671 /nfs/dbraw/zinc/65/66/71/761656671.db2.gz PDVNZIMJIPACLW-AWEZNQCLSA-N 1 2 326.360 0.221 20 30 ECEDLO Cc1nc(N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)ccc1C#N ZINC001051698982 762725237 /nfs/dbraw/zinc/72/52/37/762725237.db2.gz DUHCMBBAINSPPM-GJZGRUSLSA-N 1 2 340.387 0.214 20 30 ECEDLO Cc1nsc(N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)c1C#N ZINC001051701484 762732683 /nfs/dbraw/zinc/73/26/83/762732683.db2.gz SQJOPDNGIRRNMY-STQMWFEESA-N 1 2 346.416 0.276 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)NC[C@@H](O)CNc1cccc(F)c1C#N ZINC001105927281 762841969 /nfs/dbraw/zinc/84/19/69/762841969.db2.gz CXGOZFWYOGMYPM-ZDUSSCGKSA-N 1 2 345.378 0.953 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001014639323 762949159 /nfs/dbraw/zinc/94/91/59/762949159.db2.gz XMDBJMTUCULESM-CHWSQXEVSA-N 1 2 329.828 0.424 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001014639323 762949163 /nfs/dbraw/zinc/94/91/63/762949163.db2.gz XMDBJMTUCULESM-CHWSQXEVSA-N 1 2 329.828 0.424 20 30 ECEDLO N#Cc1cnc(N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](O)C2)c(F)c1 ZINC001051790161 762971324 /nfs/dbraw/zinc/97/13/24/762971324.db2.gz TUTIHNOYAHSGSR-ZIAGYGMSSA-N 1 2 344.350 0.114 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)C[C@H]3CCNC3=O)C2)c1 ZINC001014711182 763025248 /nfs/dbraw/zinc/02/52/48/763025248.db2.gz MCPCTEIQJAYTCL-HIFRSBDPSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)C[C@H]3CCNC3=O)C2)c1 ZINC001014711182 763025253 /nfs/dbraw/zinc/02/52/53/763025253.db2.gz MCPCTEIQJAYTCL-HIFRSBDPSA-N 1 2 344.390 0.914 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001014854419 763306912 /nfs/dbraw/zinc/30/69/12/763306912.db2.gz XUYZZFGAAMBTSH-RISCZKNCSA-N 1 2 340.387 0.961 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001077536154 768130192 /nfs/dbraw/zinc/13/01/92/768130192.db2.gz BQNAZNYVAHAWPU-ILOCAZANSA-N 1 2 344.386 0.231 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001077536154 768130197 /nfs/dbraw/zinc/13/01/97/768130197.db2.gz BQNAZNYVAHAWPU-ILOCAZANSA-N 1 2 344.386 0.231 20 30 ECEDLO C[C@@H](C(N)=O)[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046928364 763402643 /nfs/dbraw/zinc/40/26/43/763402643.db2.gz PZKAPFLVGQWOAX-ONGXEEELSA-N 1 2 339.346 0.447 20 30 ECEDLO C[C@@H](C(N)=O)[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046928364 763402648 /nfs/dbraw/zinc/40/26/48/763402648.db2.gz PZKAPFLVGQWOAX-ONGXEEELSA-N 1 2 339.346 0.447 20 30 ECEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1ccn2nnnc2c1 ZINC001031895754 763411580 /nfs/dbraw/zinc/41/15/80/763411580.db2.gz LCOSWTBTSJWHKM-UHFFFAOYSA-N 1 2 346.394 0.838 20 30 ECEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCNC1=O ZINC001031896537 763424968 /nfs/dbraw/zinc/42/49/68/763424968.db2.gz HPWSRJDPQOLVDS-MRXNPFEDSA-N 1 2 329.375 0.361 20 30 ECEDLO CN1CC[C@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)C1=O ZINC001031909905 763524094 /nfs/dbraw/zinc/52/40/94/763524094.db2.gz FMAMXORLERFSDH-MRXNPFEDSA-N 1 2 326.400 0.585 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C)nn3C)C2)CC1 ZINC001051994467 763540785 /nfs/dbraw/zinc/54/07/85/763540785.db2.gz YASVHSMGZXLYTC-MRXNPFEDSA-N 1 2 329.448 0.584 20 30 ECEDLO CCn1ccnc1CN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001051997882 763549112 /nfs/dbraw/zinc/54/91/12/763549112.db2.gz JRLQKUYKTQQSBG-CVEARBPZSA-N 1 2 344.463 0.781 20 30 ECEDLO Cc1conc1CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001051998125 763550018 /nfs/dbraw/zinc/55/00/18/763550018.db2.gz NNASMLVXEKVTJP-UKRRQHHQSA-N 1 2 331.420 0.861 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@@](C)(O)C3CC3)C2)CC1 ZINC001052010720 763579103 /nfs/dbraw/zinc/57/91/03/763579103.db2.gz FBMFUZSCMGDKRS-IEBWSBKVSA-N 1 2 333.476 0.779 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)CC3OCCCO3)C2)CC1 ZINC001052017400 763592863 /nfs/dbraw/zinc/59/28/63/763592863.db2.gz HUGKPXBGALJSRB-INIZCTEOSA-N 1 2 337.464 0.934 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]([NH+]2CCN(CCn3cccn3)CC2)C1 ZINC001052024535 763613061 /nfs/dbraw/zinc/61/30/61/763613061.db2.gz GHKGKOGWCIFFDB-GOSISDBHSA-N 1 2 341.459 0.515 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)CC1 ZINC001052029707 763626284 /nfs/dbraw/zinc/62/62/84/763626284.db2.gz AINKMTFPKIXDHV-BRWVUGGUSA-N 1 2 348.491 0.696 20 30 ECEDLO Cn1cc(Cl)c(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052032154 763634056 /nfs/dbraw/zinc/63/40/56/763634056.db2.gz CTOSSNNJGDDTMM-GFCCVEGCSA-N 1 2 336.827 0.429 20 30 ECEDLO N#Cc1nccc(N[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC001047078195 763636184 /nfs/dbraw/zinc/63/61/84/763636184.db2.gz HVJNPFBDAUBRIE-FDYHWXHSSA-N 1 2 337.387 0.604 20 30 ECEDLO N#Cc1nccc(N[C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)n1 ZINC001047078195 763636191 /nfs/dbraw/zinc/63/61/91/763636191.db2.gz HVJNPFBDAUBRIE-FDYHWXHSSA-N 1 2 337.387 0.604 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(CCO)CC2)C1 ZINC001052033849 763637924 /nfs/dbraw/zinc/63/79/24/763637924.db2.gz WCWOUKAVYCPUSZ-CQSZACIVSA-N 1 2 329.872 0.976 20 30 ECEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCS2(=O)=O)C(C)(C)C1 ZINC000941232889 763663008 /nfs/dbraw/zinc/66/30/08/763663008.db2.gz QKXHTFITLHARJN-KGLIPLIRSA-N 1 2 326.462 0.804 20 30 ECEDLO CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCS2(=O)=O)C(C)(C)C1 ZINC000941232889 763663016 /nfs/dbraw/zinc/66/30/16/763663016.db2.gz QKXHTFITLHARJN-KGLIPLIRSA-N 1 2 326.462 0.804 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1C ZINC001052045242 763682304 /nfs/dbraw/zinc/68/23/04/763682304.db2.gz PFLPWNHPCMXGBO-WCQYABFASA-N 1 2 349.460 0.728 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccc(C(N)=O)c3)C2)CC1 ZINC001052045455 763683235 /nfs/dbraw/zinc/68/32/35/763683235.db2.gz UBLGSNRQSZVGIE-MRXNPFEDSA-N 1 2 341.415 0.141 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001052046351 763687668 /nfs/dbraw/zinc/68/76/68/763687668.db2.gz ZLGAVEOCRNHEOO-VXGBXAGGSA-N 1 2 335.433 0.420 20 30 ECEDLO N#Cc1cccnc1NC[C@H](O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001106016802 763700605 /nfs/dbraw/zinc/70/06/05/763700605.db2.gz XTXOPQXGEWEYRT-HIFRSBDPSA-N 1 2 340.387 0.301 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccn4ccnc4c3)C2)CC1 ZINC001052049496 763702443 /nfs/dbraw/zinc/70/24/43/763702443.db2.gz MRAFYRLBQIASTB-MRXNPFEDSA-N 1 2 338.415 0.690 20 30 ECEDLO CCOc1cc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)on1 ZINC001052049764 763704065 /nfs/dbraw/zinc/70/40/65/763704065.db2.gz PLILPBXDQDPTSL-ZDUSSCGKSA-N 1 2 333.392 0.429 20 30 ECEDLO COCc1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)o1 ZINC001052050458 763706907 /nfs/dbraw/zinc/70/69/07/763706907.db2.gz VHBZDSOJANUCDT-CQSZACIVSA-N 1 2 332.404 0.782 20 30 ECEDLO N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cn1 ZINC001106014657 763712126 /nfs/dbraw/zinc/71/21/26/763712126.db2.gz BKPFLHPNOYHPOF-DOMZBBRYSA-N 1 2 340.387 0.301 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001052056233 763727593 /nfs/dbraw/zinc/72/75/93/763727593.db2.gz UZXKDWRXYAWEOW-WXJALIKYSA-N 1 2 343.471 0.652 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCNC(=O)CC3)C2)CC1 ZINC001052056816 763728602 /nfs/dbraw/zinc/72/86/02/763728602.db2.gz HQVMHKFKYOEAEQ-SJORKVTESA-N 1 2 348.491 0.697 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCNC(=O)CC3)C2)CC1 ZINC001052057744 763731917 /nfs/dbraw/zinc/73/19/17/763731917.db2.gz SEQFUAFFIVFYPL-SJORKVTESA-N 1 2 346.475 0.145 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](O)C2)C1 ZINC000991817891 763742928 /nfs/dbraw/zinc/74/29/28/763742928.db2.gz QEGZMOCDNXJLHT-ZIAGYGMSSA-N 1 2 332.404 0.387 20 30 ECEDLO CN1CC(C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)=NC1=O ZINC001031950150 763744097 /nfs/dbraw/zinc/74/40/97/763744097.db2.gz UFEJOGWCVLUKSE-UHFFFAOYSA-N 1 2 325.372 0.859 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccncc3OC(C)C)CC2)C1 ZINC000941501437 763782365 /nfs/dbraw/zinc/78/23/65/763782365.db2.gz DMENAHWGUDTQLZ-UHFFFAOYSA-N 1 2 342.443 0.944 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)c3cn(C)c(=O)[nH]3)C2)CC1 ZINC001052077245 763786018 /nfs/dbraw/zinc/78/60/18/763786018.db2.gz PQTQBAMHCMDOTE-AWEZNQCLSA-N 1 2 333.436 0.534 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@]3(C)CCC(=O)N3)C2)CC1 ZINC001052079254 763792428 /nfs/dbraw/zinc/79/24/28/763792428.db2.gz HKQHVHWBQMICSA-QAPCUYQASA-N 1 2 334.464 0.450 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3conc3C3CC3)C2)CC1 ZINC001052081469 763799415 /nfs/dbraw/zinc/79/94/15/763799415.db2.gz MNPZPPHUQBRKTK-AWEZNQCLSA-N 1 2 329.404 0.908 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(C)[nH]c3=O)C2)CC1 ZINC001052090995 763830046 /nfs/dbraw/zinc/83/00/46/763830046.db2.gz BDHIHLXMVXTWKR-INIZCTEOSA-N 1 2 342.443 0.951 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3scnc3COC)C2)CC1 ZINC001052092902 763834121 /nfs/dbraw/zinc/83/41/21/763834121.db2.gz HKPZIUPQIWAPBL-AWEZNQCLSA-N 1 2 348.472 0.755 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CCC[C@H](C)C3)C2)CC1 ZINC001052093468 763835941 /nfs/dbraw/zinc/83/59/41/763835941.db2.gz PKCTXMPVKRMWKR-DLBZAZTESA-N 1 2 346.475 0.097 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C(=O)N3CCC[C@H](C)C3)C2)CC1 ZINC001052093468 763835947 /nfs/dbraw/zinc/83/59/47/763835947.db2.gz PKCTXMPVKRMWKR-DLBZAZTESA-N 1 2 346.475 0.097 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)Cc3cnn(C)c3)C2)CC1 ZINC001052103735 763870855 /nfs/dbraw/zinc/87/08/55/763870855.db2.gz UEJKPTQOZFKXIU-AEFFLSMTSA-N 1 2 343.475 0.450 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)CCc3cnccn3)C2)CC1 ZINC001052105648 763877427 /nfs/dbraw/zinc/87/74/27/763877427.db2.gz NCKJQFLYRQQVSX-SFHVURJKSA-N 1 2 341.459 0.651 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn4cc[nH]c34)C2)CC1 ZINC001052112371 763907739 /nfs/dbraw/zinc/90/77/39/763907739.db2.gz UCESIPNZSFXXOU-ZDUSSCGKSA-N 1 2 327.392 0.018 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn(C)c3OC)C2)CC1 ZINC001052112598 763908383 /nfs/dbraw/zinc/90/83/83/763908383.db2.gz AIGXEWDEJUIOCA-HNNXBMFYSA-N 1 2 345.447 0.284 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(C)nn(C)c3F)C2)CC1 ZINC001052112955 763909562 /nfs/dbraw/zinc/90/95/62/763909562.db2.gz IQRFYGTVOSSFPU-CQSZACIVSA-N 1 2 333.411 0.333 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c(C)nn(C)c3F)C2)CC1 ZINC001052112955 763909569 /nfs/dbraw/zinc/90/95/69/763909569.db2.gz IQRFYGTVOSSFPU-CQSZACIVSA-N 1 2 333.411 0.333 20 30 ECEDLO CN(C(=O)[C@@H]1CCCO1)[C@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001047295719 763912909 /nfs/dbraw/zinc/91/29/09/763912909.db2.gz RXOXKWZPXWZJHP-BZSNNMDCSA-N 1 2 346.402 0.860 20 30 ECEDLO CN(C(=O)[C@@H]1CCCO1)[C@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001047295719 763912915 /nfs/dbraw/zinc/91/29/15/763912915.db2.gz RXOXKWZPXWZJHP-BZSNNMDCSA-N 1 2 346.402 0.860 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCN(C(C)=O)C3)C2)CC1 ZINC001052113539 763913899 /nfs/dbraw/zinc/91/38/99/763913899.db2.gz YLNRKXRWMQEJJN-ZWKOTPCHSA-N 1 2 346.475 0.097 20 30 ECEDLO C=CCN1CC[C@H](N2CC(NC(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1=O ZINC001030553195 763931411 /nfs/dbraw/zinc/93/14/11/763931411.db2.gz SKSUOHLUJGJLJR-ZFWWWQNUSA-N 1 2 343.431 0.033 20 30 ECEDLO CN(C(=O)c1cn[nH]c1)[C@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001047313819 763965324 /nfs/dbraw/zinc/96/53/24/763965324.db2.gz WUPKYMRMMZBIMH-IRXDYDNUSA-N 1 2 342.374 0.718 20 30 ECEDLO CN(C(=O)c1cn[nH]c1)[C@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001047313819 763965325 /nfs/dbraw/zinc/96/53/25/763965325.db2.gz WUPKYMRMMZBIMH-IRXDYDNUSA-N 1 2 342.374 0.718 20 30 ECEDLO CN(C(=O)c1cn(C)cn1)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047350939 764079075 /nfs/dbraw/zinc/07/90/75/764079075.db2.gz SNUZEGKHTSSVQM-GJZGRUSLSA-N 1 2 345.428 0.671 20 30 ECEDLO CN(C(=O)c1cn(C)cn1)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047350939 764079082 /nfs/dbraw/zinc/07/90/82/764079082.db2.gz SNUZEGKHTSSVQM-GJZGRUSLSA-N 1 2 345.428 0.671 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CN(c3[nH+]cnc4c3cnn4C)C[C@@]2(C)C1 ZINC001052239339 764115897 /nfs/dbraw/zinc/11/58/97/764115897.db2.gz OWMBTADWJXSRNW-JKDFXYPNSA-N 1 2 339.403 0.808 20 30 ECEDLO C=CCn1cc(C(=O)NCC2C[NH+](Cc3nccnc3C)C2)nn1 ZINC001032035175 764227694 /nfs/dbraw/zinc/22/76/94/764227694.db2.gz PQTDYXQLMORVTG-UHFFFAOYSA-N 1 2 327.392 0.424 20 30 ECEDLO COC1CC(C(=O)N(C)[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)C1 ZINC001047420135 764289900 /nfs/dbraw/zinc/28/99/00/764289900.db2.gz BFIARVUHDDGVLL-BTRQGYIVSA-N 1 2 342.439 0.967 20 30 ECEDLO COC1CC(C(=O)N(C)[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)C1 ZINC001047420135 764289905 /nfs/dbraw/zinc/28/99/05/764289905.db2.gz BFIARVUHDDGVLL-BTRQGYIVSA-N 1 2 342.439 0.967 20 30 ECEDLO C=CCOc1ccccc1C(=O)N(C)[C@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001047433320 764331089 /nfs/dbraw/zinc/33/10/89/764331089.db2.gz JICHAHMESLMKEB-QEJZJMRPSA-N 1 2 347.415 0.242 20 30 ECEDLO C=CCOc1ccccc1C(=O)N(C)[C@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]1O ZINC001047433320 764331092 /nfs/dbraw/zinc/33/10/92/764331092.db2.gz JICHAHMESLMKEB-QEJZJMRPSA-N 1 2 347.415 0.242 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)[C@@H]1C ZINC001088913978 764435320 /nfs/dbraw/zinc/43/53/20/764435320.db2.gz BHCIOAIFGDMLHN-OSFYFWSMSA-N 1 2 349.435 0.169 20 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C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1CNC(=O)C#CC1CC1 ZINC001052473512 764581284 /nfs/dbraw/zinc/58/12/84/764581284.db2.gz ZMTVTIQLXITRMC-UKRRQHHQSA-N 1 2 328.416 0.966 20 30 ECEDLO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001052547240 764730648 /nfs/dbraw/zinc/73/06/48/764730648.db2.gz CXAYZMJQSUWTOC-GDBMZVCRSA-N 1 2 342.443 0.977 20 30 ECEDLO C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001052547241 764730792 /nfs/dbraw/zinc/73/07/92/764730792.db2.gz CXAYZMJQSUWTOC-GOEBONIOSA-N 1 2 342.443 0.977 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(C3CCOCC3)n2)C1 ZINC001047590889 764802291 /nfs/dbraw/zinc/80/22/91/764802291.db2.gz MRHFFRGIHXKDMA-GJZGRUSLSA-N 1 2 333.388 0.319 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(C3CCOCC3)n2)C1 ZINC001047590889 764802296 /nfs/dbraw/zinc/80/22/96/764802296.db2.gz MRHFFRGIHXKDMA-GJZGRUSLSA-N 1 2 333.388 0.319 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H](C)[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001052600076 764830711 /nfs/dbraw/zinc/83/07/11/764830711.db2.gz SUNRKFRRHYWVIU-GJZGRUSLSA-N 1 2 346.431 0.593 20 30 ECEDLO C#CCOc1ncccc1C(=O)N(C)[C@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001047601714 764845528 /nfs/dbraw/zinc/84/55/28/764845528.db2.gz IDFVDZZPYQVFAW-UWERJEOXSA-N 1 2 349.818 0.963 20 30 ECEDLO C#CCOc1ncccc1C(=O)N(C)[C@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001047601714 764845538 /nfs/dbraw/zinc/84/55/38/764845538.db2.gz IDFVDZZPYQVFAW-UWERJEOXSA-N 1 2 349.818 0.963 20 30 ECEDLO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001015529954 764897246 /nfs/dbraw/zinc/89/72/46/764897246.db2.gz HCUNJRAWHUHLND-SJORKVTESA-N 1 2 343.402 0.989 20 30 ECEDLO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001015529954 764897254 /nfs/dbraw/zinc/89/72/54/764897254.db2.gz HCUNJRAWHUHLND-SJORKVTESA-N 1 2 343.402 0.989 20 30 ECEDLO Cn1nnc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC001015544195 764920685 /nfs/dbraw/zinc/92/06/85/764920685.db2.gz CZKLISNHZRPMEU-LBPRGKRZSA-N 1 2 329.339 0.225 20 30 ECEDLO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC001015544195 764920693 /nfs/dbraw/zinc/92/06/93/764920693.db2.gz CZKLISNHZRPMEU-LBPRGKRZSA-N 1 2 329.339 0.225 20 30 ECEDLO COCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccncc2C#N)C1 ZINC001052719043 765040183 /nfs/dbraw/zinc/04/01/83/765040183.db2.gz ZFFREPSEBZGBHM-UKRRQHHQSA-N 1 2 340.387 0.162 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(C(N)=O)nc1 ZINC001017661911 768263131 /nfs/dbraw/zinc/26/31/31/768263131.db2.gz CVDIRVYNQDSRDL-GASCZTMLSA-N 1 2 326.400 0.422 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(C(N)=O)nc1 ZINC001017661911 768263134 /nfs/dbraw/zinc/26/31/34/768263134.db2.gz CVDIRVYNQDSRDL-GASCZTMLSA-N 1 2 326.400 0.422 20 30 ECEDLO C=CCOCC(=O)NC[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001052813290 765167685 /nfs/dbraw/zinc/16/76/85/765167685.db2.gz GPZGCTROCBXUJS-KGLIPLIRSA-N 1 2 334.420 0.756 20 30 ECEDLO C=CCOCC(=O)NC[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001052813290 765167689 /nfs/dbraw/zinc/16/76/89/765167689.db2.gz GPZGCTROCBXUJS-KGLIPLIRSA-N 1 2 334.420 0.756 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001015726099 765242948 /nfs/dbraw/zinc/24/29/48/765242948.db2.gz JRZJZDPQTSWDOM-BJJXKVORSA-N 1 2 348.399 0.930 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001015726099 765242952 /nfs/dbraw/zinc/24/29/52/765242952.db2.gz JRZJZDPQTSWDOM-BJJXKVORSA-N 1 2 348.399 0.930 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)C(=O)NC3CC3)C2)nn1 ZINC001015820550 765383686 /nfs/dbraw/zinc/38/36/86/765383686.db2.gz IKCXTGQILNMKES-JSGCOSHPSA-N 1 2 346.435 0.325 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)nn1 ZINC001015820550 765383696 /nfs/dbraw/zinc/38/36/96/765383696.db2.gz IKCXTGQILNMKES-JSGCOSHPSA-N 1 2 346.435 0.325 20 30 ECEDLO C=C1CC(C)(C(=O)NC[C@H](O)CNc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001106095399 765619224 /nfs/dbraw/zinc/61/92/24/765619224.db2.gz ZRRLDCIBIDYXCR-CYBMUJFWSA-N 1 2 345.447 0.710 20 30 ECEDLO C=C1CC(C)(C(=O)NC[C@H](O)CNc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001106095399 765619229 /nfs/dbraw/zinc/61/92/29/765619229.db2.gz ZRRLDCIBIDYXCR-CYBMUJFWSA-N 1 2 345.447 0.710 20 30 ECEDLO C=C1CC(C)(C(=O)NC[C@@H](O)CNc2[nH+]cnc3c2cnn3C)C1 ZINC001106095390 765619273 /nfs/dbraw/zinc/61/92/73/765619273.db2.gz ZOARNZSXHURDEG-NSHDSACASA-N 1 2 330.392 0.609 20 30 ECEDLO N#Cc1nccc(N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)Cc2[nH]cc[nH+]2)C3)n1 ZINC001054829918 768307964 /nfs/dbraw/zinc/30/79/64/768307964.db2.gz QYBCEIXXEHYVHK-AVGNSLFASA-N 1 2 337.387 0.527 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@H](C)CCNc1[nH+]cnc2c1cnn2C ZINC001106442798 768309820 /nfs/dbraw/zinc/30/98/20/768309820.db2.gz LNCIVTPHYYCMLS-VXGBXAGGSA-N 1 2 330.392 0.708 20 30 ECEDLO C=CCOCC(=O)NC[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001053150736 765659845 /nfs/dbraw/zinc/65/98/45/765659845.db2.gz PNTSLDPPAKDDOY-HUUCEWRRSA-N 1 2 348.447 0.766 20 30 ECEDLO C=CCOCC(=O)NC[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001053150739 765660070 /nfs/dbraw/zinc/66/00/70/765660070.db2.gz PNTSLDPPAKDDOY-LSDHHAIUSA-N 1 2 348.447 0.766 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001015989850 765677776 /nfs/dbraw/zinc/67/77/76/765677776.db2.gz ZWDQYLADKQMPJI-QMMMGPOBSA-N 1 2 328.756 0.453 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001015989850 765677779 /nfs/dbraw/zinc/67/77/79/765677779.db2.gz ZWDQYLADKQMPJI-QMMMGPOBSA-N 1 2 328.756 0.453 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001015989849 765677795 /nfs/dbraw/zinc/67/77/95/765677795.db2.gz ZWDQYLADKQMPJI-MRVPVSSYSA-N 1 2 328.756 0.453 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001015989849 765677799 /nfs/dbraw/zinc/67/77/99/765677799.db2.gz ZWDQYLADKQMPJI-MRVPVSSYSA-N 1 2 328.756 0.453 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)C2)nc1 ZINC001016026290 765729986 /nfs/dbraw/zinc/72/99/86/765729986.db2.gz FBCLHMGBLFZOQN-HUUCEWRRSA-N 1 2 347.440 0.302 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)C2)nc1 ZINC001016026290 765729991 /nfs/dbraw/zinc/72/99/91/765729991.db2.gz FBCLHMGBLFZOQN-HUUCEWRRSA-N 1 2 347.440 0.302 20 30 ECEDLO C#Cc1cncc(C(=O)NCC2=CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)c1 ZINC001017722014 768323869 /nfs/dbraw/zinc/32/38/69/768323869.db2.gz ZLPDPKABPLGZGA-UHFFFAOYSA-N 1 2 349.394 0.917 20 30 ECEDLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1CNC(=O)CSCC#N ZINC001053267819 765871780 /nfs/dbraw/zinc/87/17/80/765871780.db2.gz MCEXXFYWYRXPGH-RYUDHWBXSA-N 1 2 335.433 0.420 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cc1nnn(C(C)(C)C)n1)CCO2 ZINC001053272285 765878873 /nfs/dbraw/zinc/87/88/73/765878873.db2.gz RFZOHBPJTGTAKF-UHFFFAOYSA-N 1 2 348.451 0.460 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1nc(C)c(C)[nH]c1=O)CCO2 ZINC001053303141 765939029 /nfs/dbraw/zinc/93/90/29/765939029.db2.gz JICSAPUSHRHAGD-UHFFFAOYSA-N 1 2 332.404 0.490 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cn(C)nc1COC)CCO2 ZINC001053316378 765958053 /nfs/dbraw/zinc/95/80/53/765958053.db2.gz QKCDBARMUKWHJU-UHFFFAOYSA-N 1 2 334.420 0.669 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccnc3c1nnn3C)CCO2 ZINC001053396906 766079954 /nfs/dbraw/zinc/07/99/54/766079954.db2.gz IXKRAKYEEUHLOV-UHFFFAOYSA-N 1 2 342.403 0.466 20 30 ECEDLO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1cc(C(N)=O)co1)CCO2 ZINC001053424285 766109310 /nfs/dbraw/zinc/10/93/10/766109310.db2.gz GYQWIENLLWDVIV-UHFFFAOYSA-N 1 2 333.388 0.872 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@]1(C)CCN(C(C)=O)C1)CCO2 ZINC001053501230 766242908 /nfs/dbraw/zinc/24/29/08/766242908.db2.gz KXYZTICFOPXKAQ-QGZVFWFLSA-N 1 2 335.448 0.734 20 30 ECEDLO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCc3n[nH]nc3C1)CCO2 ZINC001053507171 766255652 /nfs/dbraw/zinc/25/56/52/766255652.db2.gz GESDZFSOEPAQQA-AWEZNQCLSA-N 1 2 345.447 0.789 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cccc(C(N)=O)n1)CCO2 ZINC001053546663 766313369 /nfs/dbraw/zinc/31/33/69/766313369.db2.gz SIXKVYDVMKNQQH-UHFFFAOYSA-N 1 2 330.388 0.283 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001045778271 766359568 /nfs/dbraw/zinc/35/95/68/766359568.db2.gz WNVRFAMBENBFHF-KRWDZBQOSA-N 1 2 348.447 0.645 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001045783162 766364787 /nfs/dbraw/zinc/36/47/87/766364787.db2.gz QFUJNPYKEJQUAK-MRXNPFEDSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001045783162 766364798 /nfs/dbraw/zinc/36/47/98/766364798.db2.gz QFUJNPYKEJQUAK-MRXNPFEDSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC)C1)O2 ZINC001053606828 766422220 /nfs/dbraw/zinc/42/22/20/766422220.db2.gz ORSSJCRAKXEMAL-CABCVRRESA-N 1 2 335.448 0.781 20 30 ECEDLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)C#CC1CC1 ZINC001212251054 766424359 /nfs/dbraw/zinc/42/43/59/766424359.db2.gz OARAZKWOEPPSKK-FVQBIDKESA-N 1 2 335.448 0.376 20 30 ECEDLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)C#CC1CC1 ZINC001212251054 766424364 /nfs/dbraw/zinc/42/43/64/766424364.db2.gz OARAZKWOEPPSKK-FVQBIDKESA-N 1 2 335.448 0.376 20 30 ECEDLO C#CCN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCc3[nH+]c(C)[nH]c3C1)O2 ZINC001053619917 766451649 /nfs/dbraw/zinc/45/16/49/766451649.db2.gz ZMWWYMXQMNHMNX-HUUCEWRRSA-N 1 2 342.443 0.806 20 30 ECEDLO CC#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCc3c[nH+]cn3C1)O2 ZINC001053619909 766451698 /nfs/dbraw/zinc/45/16/98/766451698.db2.gz ZHDLEQGLDUIWBJ-RDJZCZTQSA-N 1 2 342.443 0.818 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCc2sc(C[NH2+][C@H]3CCCNC3=O)nc2C1 ZINC001089273478 766465164 /nfs/dbraw/zinc/46/51/64/766465164.db2.gz CWGZRALFDYAKQX-QWRGUYRKSA-N 1 2 347.444 0.556 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C(N)=O)cn1C)O2 ZINC001053626825 766470493 /nfs/dbraw/zinc/47/04/93/766470493.db2.gz FZXQMVKOGLXGPV-AWEZNQCLSA-N 1 2 346.431 0.663 20 30 ECEDLO Cn1ncnc1C[NH+]1CCC2(C[C@@H]2NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001016587396 766546162 /nfs/dbraw/zinc/54/61/62/766546162.db2.gz LKSRVKACXFJZCQ-AWEZNQCLSA-N 1 2 339.403 0.799 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc3nncn3c1)O2 ZINC001053676320 766559144 /nfs/dbraw/zinc/55/91/44/766559144.db2.gz ZLDDGQHYVHZJML-AWEZNQCLSA-N 1 2 327.388 0.879 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(=O)n(CC)n1)O2 ZINC001053681358 766572344 /nfs/dbraw/zinc/57/23/44/766572344.db2.gz JCEWPAKRBOOCRV-AWEZNQCLSA-N 1 2 346.431 0.803 20 30 ECEDLO C[C@H](CC(=O)NC[C@@H](O)CNc1ccc(C#N)nc1)n1cc[nH+]c1 ZINC001106132397 766614859 /nfs/dbraw/zinc/61/48/59/766614859.db2.gz ZVBMBSYIQIPDRA-DOMZBBRYSA-N 1 2 328.376 0.690 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCc3nnc(C)n3C1)O2 ZINC001053701151 766622195 /nfs/dbraw/zinc/62/21/95/766622195.db2.gz NKKVUWXHXVFPEA-GJZGRUSLSA-N 1 2 345.447 0.685 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCN1C(C)=O)O2 ZINC001053701459 766623466 /nfs/dbraw/zinc/62/34/66/766623466.db2.gz VYTKMTMXRRWSMS-JKSUJKDBSA-N 1 2 335.448 0.923 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c(OC)ncnc1OC)O2 ZINC001053704743 766629518 /nfs/dbraw/zinc/62/95/18/766629518.db2.gz NJHNVIFBJZFTCS-GFCCVEGCSA-N 1 2 348.403 0.643 20 30 ECEDLO Cc1noc(C[N@H+]2CC[C@@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)n1 ZINC001046012833 766640914 /nfs/dbraw/zinc/64/09/14/766640914.db2.gz QJYUNGPLMQVYRW-GXTWGEPZSA-N 1 2 332.408 0.256 20 30 ECEDLO Cc1noc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)n1 ZINC001046012833 766640921 /nfs/dbraw/zinc/64/09/21/766640921.db2.gz QJYUNGPLMQVYRW-GXTWGEPZSA-N 1 2 332.408 0.256 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)cn2)C[C@H]1OC ZINC001212262108 766674799 /nfs/dbraw/zinc/67/47/99/766674799.db2.gz BGSXQHWRMNSUAK-HZPDHXFCSA-N 1 2 332.404 0.140 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)cn2)C[C@H]1OC ZINC001212262108 766674804 /nfs/dbraw/zinc/67/48/04/766674804.db2.gz BGSXQHWRMNSUAK-HZPDHXFCSA-N 1 2 332.404 0.140 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001212262283 766679118 /nfs/dbraw/zinc/67/91/18/766679118.db2.gz KEENVZJNUYXMPC-RTBURBONSA-N 1 2 340.423 0.893 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001212262283 766679125 /nfs/dbraw/zinc/67/91/25/766679125.db2.gz KEENVZJNUYXMPC-RTBURBONSA-N 1 2 340.423 0.893 20 30 ECEDLO Cc1cc(=O)oc(C)c1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046043816 766763710 /nfs/dbraw/zinc/76/37/10/766763710.db2.gz DTTAEPBMGDDLRQ-OAHLLOKOSA-N 1 2 344.415 0.612 20 30 ECEDLO CCc1cc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)cc(=O)[nH]1 ZINC001046044957 766769223 /nfs/dbraw/zinc/76/92/23/766769223.db2.gz UDGLNJXMGXNFLZ-MRXNPFEDSA-N 1 2 343.431 0.705 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 ZINC001106132858 766777510 /nfs/dbraw/zinc/77/75/10/766777510.db2.gz BGAMFJSRGMXRSV-SMDDNHRTSA-N 1 2 328.376 0.444 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 ZINC001106132858 766777516 /nfs/dbraw/zinc/77/75/16/766777516.db2.gz BGAMFJSRGMXRSV-SMDDNHRTSA-N 1 2 328.376 0.444 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cnn4cccnc34)CC2)C1 ZINC001046050946 766788562 /nfs/dbraw/zinc/78/85/62/766788562.db2.gz UBKFIGXSQUESSH-AWEZNQCLSA-N 1 2 339.403 0.085 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3C[C@H]3c3cccnc3)CC2)C1 ZINC001046067597 766860938 /nfs/dbraw/zinc/86/09/38/766860938.db2.gz QJNIBLGIKQBGDV-OKZBNKHCSA-N 1 2 339.443 0.927 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc(OC(C)C)cn1)CO2 ZINC001053801985 766886237 /nfs/dbraw/zinc/88/62/37/766886237.db2.gz XERRHYLDGXPUIX-AWEZNQCLSA-N 1 2 344.415 0.860 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H](O)CNc2cc[nH+]c(C)n2)nn1 ZINC001106134844 766897621 /nfs/dbraw/zinc/89/76/21/766897621.db2.gz HSADSCAZKPXVLB-GFCCVEGCSA-N 1 2 331.380 0.155 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3c[nH]c4cccnc34)CC2)C1 ZINC001046076663 766904175 /nfs/dbraw/zinc/90/41/75/766904175.db2.gz OJMUBPLMYQXBQV-AWEZNQCLSA-N 1 2 338.415 0.919 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cn4ccccc4n3)CC2)C1 ZINC001046082593 766921984 /nfs/dbraw/zinc/92/19/84/766921984.db2.gz XTSXOJBGCMGRCX-HNNXBMFYSA-N 1 2 338.415 0.690 20 30 ECEDLO Cn1cc(CCC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)cn1 ZINC001046084657 766925288 /nfs/dbraw/zinc/92/52/88/766925288.db2.gz ASAQLMTTZSYMII-INIZCTEOSA-N 1 2 330.436 0.095 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC(=O)N(C(C)C)C1)CO2 ZINC001053818484 766925388 /nfs/dbraw/zinc/92/53/88/766925388.db2.gz LERGTNBPDIXEBK-GJZGRUSLSA-N 1 2 335.448 0.779 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccnc3[nH]cnc31)CO2 ZINC001053818825 766926943 /nfs/dbraw/zinc/92/69/43/766926943.db2.gz YUJDBBUEEGOWEE-GFCCVEGCSA-N 1 2 325.372 0.554 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)N1C(=O)CCC1=O)CO2 ZINC001053820781 766935922 /nfs/dbraw/zinc/93/59/22/766935922.db2.gz LTEFHKQBXZBPOQ-OLZOCXBDSA-N 1 2 335.404 0.060 20 30 ECEDLO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cn(C)c(C)cc1=O)CO2 ZINC001053835393 766976071 /nfs/dbraw/zinc/97/60/71/766976071.db2.gz IPRNZUVKIONJAV-AWEZNQCLSA-N 1 2 331.416 0.843 20 30 ECEDLO CCN(c1nc(C)cc(C#N)n1)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001089678427 767016095 /nfs/dbraw/zinc/01/60/95/767016095.db2.gz HLAMVCOKWGFFGH-GFCCVEGCSA-N 1 2 327.392 0.954 20 30 ECEDLO CC#CCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)CO2 ZINC001053850624 767016234 /nfs/dbraw/zinc/01/62/34/767016234.db2.gz BBYWKFSLNGDOPW-HUUCEWRRSA-N 1 2 328.416 0.428 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccnc3c1CC(=O)N3)CO2 ZINC001053857290 767041253 /nfs/dbraw/zinc/04/12/53/767041253.db2.gz AQHORGYJHJKJHV-GFCCVEGCSA-N 1 2 340.383 0.173 20 30 ECEDLO C[C@H](C#N)C(=O)NCC1=CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001127582813 767094817 /nfs/dbraw/zinc/09/48/17/767094817.db2.gz RXRBDFOWYVBWPU-LLVKDONJSA-N 1 2 325.376 0.776 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC(N)=O)nc1 ZINC001089724085 767128781 /nfs/dbraw/zinc/12/87/81/767128781.db2.gz RKOHBAKWCRXFCN-AWEZNQCLSA-N 1 2 328.416 0.769 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC(N)=O)nc1 ZINC001089724085 767128782 /nfs/dbraw/zinc/12/87/82/767128782.db2.gz RKOHBAKWCRXFCN-AWEZNQCLSA-N 1 2 328.416 0.769 20 30 ECEDLO CN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)NC1=O ZINC001038590705 767174560 /nfs/dbraw/zinc/17/45/60/767174560.db2.gz BFBHFSHJPNBSHK-GXFFZTMASA-N 1 2 333.417 0.334 20 30 ECEDLO CN1C[C@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)NC1=O ZINC001038590705 767174562 /nfs/dbraw/zinc/17/45/62/767174562.db2.gz BFBHFSHJPNBSHK-GXFFZTMASA-N 1 2 333.417 0.334 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@]1(C)CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001046374121 767178859 /nfs/dbraw/zinc/17/88/59/767178859.db2.gz LRTAKRSOTSWHBX-KRWDZBQOSA-N 1 2 344.419 0.490 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@]1(C)CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001046374121 767178860 /nfs/dbraw/zinc/17/88/60/767178860.db2.gz LRTAKRSOTSWHBX-KRWDZBQOSA-N 1 2 344.419 0.490 20 30 ECEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001031803693 767239374 /nfs/dbraw/zinc/23/93/74/767239374.db2.gz BHQRGBWQZBFAIY-HNNXBMFYSA-N 1 2 326.400 0.632 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](CCS(C)(=O)=O)C2)cc1 ZINC001046530403 767282113 /nfs/dbraw/zinc/28/21/13/767282113.db2.gz HHXYDYHYEHVYAJ-QGZVFWFLSA-N 1 2 334.441 0.907 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](CCS(C)(=O)=O)C2)cc1 ZINC001046530403 767282114 /nfs/dbraw/zinc/28/21/14/767282114.db2.gz HHXYDYHYEHVYAJ-QGZVFWFLSA-N 1 2 334.441 0.907 20 30 ECEDLO C[C@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046540313 767290870 /nfs/dbraw/zinc/29/08/70/767290870.db2.gz WQBCKHRFXSGKSI-QAPCUYQASA-N 1 2 344.390 0.914 20 30 ECEDLO C[C@]1(NC(=O)[C@@H]2CCNC2=O)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046540313 767290872 /nfs/dbraw/zinc/29/08/72/767290872.db2.gz WQBCKHRFXSGKSI-QAPCUYQASA-N 1 2 344.390 0.914 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCc3nn[nH]c31)CO2 ZINC001053908156 767327490 /nfs/dbraw/zinc/32/74/90/767327490.db2.gz LQRZSZUHDYIJFA-OLZOCXBDSA-N 1 2 329.404 0.207 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(NC(C)=O)c(F)c2)C1 ZINC001078286028 782616219 /nfs/dbraw/zinc/61/62/19/782616219.db2.gz SNIZXZBWHPXMSM-HZPDHXFCSA-N 1 2 333.363 0.582 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(NC(C)=O)c(F)c2)C1 ZINC001078286028 782616224 /nfs/dbraw/zinc/61/62/24/782616224.db2.gz SNIZXZBWHPXMSM-HZPDHXFCSA-N 1 2 333.363 0.582 20 30 ECEDLO N#Cc1cnc(NC[C@H](O)CNC(=O)CCc2c[nH]c[nH+]2)c(Cl)c1 ZINC001106150550 767366371 /nfs/dbraw/zinc/36/63/71/767366371.db2.gz XGGIXBSJJJBCIC-GFCCVEGCSA-N 1 2 348.794 0.852 20 30 ECEDLO N#Cc1cnc(NC[C@H](O)CNC(=O)CCc2c[nH+]c[nH]2)c(Cl)c1 ZINC001106150550 767366378 /nfs/dbraw/zinc/36/63/78/767366378.db2.gz XGGIXBSJJJBCIC-GFCCVEGCSA-N 1 2 348.794 0.852 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1cn(C)nc1Cl)CO2 ZINC001053923971 767370706 /nfs/dbraw/zinc/37/07/06/767370706.db2.gz HJNRHKFYZNFPKJ-CYBMUJFWSA-N 1 2 336.823 0.599 20 30 ECEDLO CC#CCN1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCc3[nH+]c[nH]c31)CO2 ZINC001053926195 767380775 /nfs/dbraw/zinc/38/07/75/767380775.db2.gz YUGUINWARHXVRO-UONOGXRCSA-N 1 2 328.416 0.812 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1nccn3ccnc13)CO2 ZINC001053929224 767389096 /nfs/dbraw/zinc/38/90/96/767389096.db2.gz UPLSEKRPDDJTEZ-ZDUSSCGKSA-N 1 2 327.388 0.879 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060462417 767429086 /nfs/dbraw/zinc/42/90/86/767429086.db2.gz BZHYFUYNTYATJU-ZIAGYGMSSA-N 1 2 332.404 0.345 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)N1CCOCC1)CO2 ZINC001053956422 767446618 /nfs/dbraw/zinc/44/66/18/767446618.db2.gz GBWIKFXHODADRI-HNNXBMFYSA-N 1 2 335.448 0.080 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@@H+](Cc3cnnn3C)C2)nn1 ZINC001046689098 767486141 /nfs/dbraw/zinc/48/61/41/767486141.db2.gz FWPRZFRUYQSAIS-MRXNPFEDSA-N 1 2 344.423 0.377 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@H+](Cc3cnnn3C)C2)nn1 ZINC001046689098 767486146 /nfs/dbraw/zinc/48/61/46/767486146.db2.gz FWPRZFRUYQSAIS-MRXNPFEDSA-N 1 2 344.423 0.377 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnn3c1CCCC3)CO2 ZINC001053974473 767501995 /nfs/dbraw/zinc/50/19/95/767501995.db2.gz NQIBCRYSJGIXAW-CQSZACIVSA-N 1 2 328.416 0.816 20 30 ECEDLO N#Cc1cnc(NC[C@H](O)CNC(=O)c2cc3c[nH+]ccc3[nH]2)cn1 ZINC001106174416 767503730 /nfs/dbraw/zinc/50/37/30/767503730.db2.gz FMSRKROGJIAFBS-LBPRGKRZSA-N 1 2 337.343 0.427 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1CC)CO2 ZINC001053975193 767504495 /nfs/dbraw/zinc/50/44/95/767504495.db2.gz ZIVALYRFPAWMPX-CABCVRRESA-N 1 2 335.448 0.923 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C(=O)N1CCC[C@H]1CC)CO2 ZINC001053975197 767504544 /nfs/dbraw/zinc/50/45/44/767504544.db2.gz ZIVALYRFPAWMPX-HUUCEWRRSA-N 1 2 335.448 0.923 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001053985576 767534733 /nfs/dbraw/zinc/53/47/33/767534733.db2.gz TZDSRYLJCJCCRJ-AWEZNQCLSA-N 1 2 345.399 0.049 20 30 ECEDLO Cn1cnnc1C[N@H+](C)C[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001017110080 767603628 /nfs/dbraw/zinc/60/36/28/767603628.db2.gz WKUGDOLQVOIUEX-ZDUSSCGKSA-N 1 2 341.419 0.999 20 30 ECEDLO Cn1cnnc1C[N@@H+](C)C[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001017110080 767603635 /nfs/dbraw/zinc/60/36/35/767603635.db2.gz WKUGDOLQVOIUEX-ZDUSSCGKSA-N 1 2 341.419 0.999 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cc1ccc(C(N)=O)cc1)CO2 ZINC001054020475 767613950 /nfs/dbraw/zinc/61/39/50/767613950.db2.gz NKSQSCQSQRLCSU-INIZCTEOSA-N 1 2 343.427 0.864 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001054061725 767659652 /nfs/dbraw/zinc/65/96/52/767659652.db2.gz QCDHQJODIYOMHI-SJORKVTESA-N 1 2 340.427 0.706 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001054061725 767659653 /nfs/dbraw/zinc/65/96/53/767659653.db2.gz QCDHQJODIYOMHI-SJORKVTESA-N 1 2 340.427 0.706 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc(C(N)=O)cn1 ZINC001054062016 767659730 /nfs/dbraw/zinc/65/97/30/767659730.db2.gz XHFAANWFNQOPHB-KRWDZBQOSA-N 1 2 348.406 0.970 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc(C(N)=O)cn1 ZINC001054062016 767659735 /nfs/dbraw/zinc/65/97/35/767659735.db2.gz XHFAANWFNQOPHB-KRWDZBQOSA-N 1 2 348.406 0.970 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)NC[C@H](O)CNc1ccc(C#N)nc1 ZINC001106185447 767778260 /nfs/dbraw/zinc/77/82/60/767778260.db2.gz ZRSUDJUQZRJSEN-CQSZACIVSA-N 1 2 328.376 0.209 20 30 ECEDLO Cc1cc(NCCOCCN(C)C(=O)Cc2[nH]cc[nH+]2)c(C#N)cn1 ZINC001127357612 768467061 /nfs/dbraw/zinc/46/70/61/768467061.db2.gz PALFGGLCTMLAFZ-UHFFFAOYSA-N 1 2 342.403 0.536 20 30 ECEDLO N#Cc1cnccc1N[C@@H]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]12 ZINC001060534836 768556042 /nfs/dbraw/zinc/55/60/42/768556042.db2.gz GNUUPTPFCKDQTG-UKPHBRMFSA-N 1 2 336.399 0.921 20 30 ECEDLO Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C3)n1 ZINC001055081725 768560165 /nfs/dbraw/zinc/56/01/65/768560165.db2.gz SBEFZWZVNCPKMQ-RDBSUJKOSA-N 1 2 337.387 0.848 20 30 ECEDLO N#Cc1nccnc1N[C@@H]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]12 ZINC001060535310 768567695 /nfs/dbraw/zinc/56/76/95/768567695.db2.gz MJJVJWQVJKPMJL-HZSPNIEDSA-N 1 2 337.387 0.894 20 30 ECEDLO C#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001018013281 768612594 /nfs/dbraw/zinc/61/25/94/768612594.db2.gz BULFWJRFWLFYIP-CALCHBBNSA-N 1 2 331.460 0.940 20 30 ECEDLO N#Cc1cncc(N[C@@H]2CC[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)n1 ZINC001060541558 768659375 /nfs/dbraw/zinc/65/93/75/768659375.db2.gz QVVKNGOODCDACX-IACUBPJLSA-N 1 2 337.387 0.963 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(-n2cnnn2)c1 ZINC001018255455 768980521 /nfs/dbraw/zinc/98/05/21/768980521.db2.gz GGJDOLQILQXISC-CALCHBBNSA-N 1 2 336.399 0.974 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(-n2cnnn2)c1 ZINC001018255455 768980522 /nfs/dbraw/zinc/98/05/22/768980522.db2.gz GGJDOLQILQXISC-CALCHBBNSA-N 1 2 336.399 0.974 20 30 ECEDLO CCN(CCNc1cnc(C#N)cn1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001106798201 769012129 /nfs/dbraw/zinc/01/21/29/769012129.db2.gz RVIGJSPLGXKDEJ-UHFFFAOYSA-N 1 2 346.435 0.719 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)CC1 ZINC001018358691 769185642 /nfs/dbraw/zinc/18/56/42/769185642.db2.gz UWOFJARUCDXENC-HOTGVXAUSA-N 1 2 335.448 0.734 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3n[nH]cc3F)C2)CC1 ZINC001018371717 769228992 /nfs/dbraw/zinc/22/89/92/769228992.db2.gz IAMOQKKACGFRCA-ZDUSSCGKSA-N 1 2 349.410 0.731 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH+]1CCC(NC(=O)c2cnn[nH]2)CC1 ZINC001055619432 769269854 /nfs/dbraw/zinc/26/98/54/769269854.db2.gz ZOAIJNVUVXIZSV-OLZOCXBDSA-N 1 2 348.451 0.573 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3nonc3C)C2)CC1 ZINC001018387465 769271555 /nfs/dbraw/zinc/27/15/55/769271555.db2.gz DZOVEXSFYYMHHC-AWEZNQCLSA-N 1 2 347.419 0.560 20 30 ECEDLO C=CCN1CCN(C(=O)[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001018388352 769272697 /nfs/dbraw/zinc/27/26/97/769272697.db2.gz LLLLNNZQOPYZFJ-MRXNPFEDSA-N 1 2 345.447 0.452 20 30 ECEDLO Cc1nccn1CC(=O)NC1CC[NH+](CCNC(=O)[C@@H](C)C#N)CC1 ZINC001055631031 769301305 /nfs/dbraw/zinc/30/13/05/769301305.db2.gz CGQRBJFHZQDFHV-ZDUSSCGKSA-N 1 2 346.435 0.048 20 30 ECEDLO C[C@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1c[nH+]cn1C ZINC000993603778 769349254 /nfs/dbraw/zinc/34/92/54/769349254.db2.gz SXSVQDNKKRAYJJ-ARLBYUKCSA-N 1 2 340.427 0.900 20 30 ECEDLO CO[C@@H](C)c1noc(C[NH2+][C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001018681156 769754299 /nfs/dbraw/zinc/75/42/99/769754299.db2.gz ACGIDCVTACQCQY-JQWIXIFHSA-N 1 2 344.375 0.981 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC3CC3)[C@H]2C)nn1 ZINC000993948293 769928073 /nfs/dbraw/zinc/92/80/73/769928073.db2.gz IDGWYWSXFFARJR-GXTWGEPZSA-N 1 2 346.435 0.325 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NC3CC3)[C@H]2C)nn1 ZINC000993948293 769928080 /nfs/dbraw/zinc/92/80/80/769928080.db2.gz IDGWYWSXFFARJR-GXTWGEPZSA-N 1 2 346.435 0.325 20 30 ECEDLO CCc1nc(C#N)cc(N2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC001055881473 770077020 /nfs/dbraw/zinc/07/70/20/770077020.db2.gz MWRKOIKUXXEDQZ-UHFFFAOYSA-N 1 2 325.376 0.525 20 30 ECEDLO Cc1noc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCCO2)n1 ZINC001078381600 782814088 /nfs/dbraw/zinc/81/40/88/782814088.db2.gz UEJTYZJQPJXGMR-CQSZACIVSA-N 1 2 344.375 0.599 20 30 ECEDLO Cc1noc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCCO2)n1 ZINC001078382843 782816467 /nfs/dbraw/zinc/81/64/67/782816467.db2.gz QCZBPZIGLCRRCN-CYBMUJFWSA-N 1 2 344.375 0.599 20 30 ECEDLO CC(C)C#CC(=O)N[C@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001055935140 770279437 /nfs/dbraw/zinc/27/94/37/770279437.db2.gz OCEHFMMHGPLCBX-QGZVFWFLSA-N 1 2 332.404 0.012 20 30 ECEDLO N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)nn1 ZINC001055940467 770299769 /nfs/dbraw/zinc/29/97/69/770299769.db2.gz LWWIPDNHFNQBKA-CYBMUJFWSA-N 1 2 337.387 0.456 20 30 ECEDLO N#Cc1ccc(N2CCN(C(=O)c3cccc4[nH+]ccn43)CC2)nn1 ZINC001055955564 770359136 /nfs/dbraw/zinc/35/91/36/770359136.db2.gz KWXAOBIMTMSOEA-UHFFFAOYSA-N 1 2 333.355 0.958 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001055997612 770498148 /nfs/dbraw/zinc/49/81/48/770498148.db2.gz DGTKYQATWCPWAV-MAUKXSAKSA-N 1 2 348.447 0.955 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001055997920 770499255 /nfs/dbraw/zinc/49/92/55/770499255.db2.gz JWOCUHDGSQXIDA-SFHVURJKSA-N 1 2 348.447 0.955 20 30 ECEDLO C=C(C)CCC(=O)N1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001055998940 770503858 /nfs/dbraw/zinc/50/38/58/770503858.db2.gz XOGYZTOOJCCHPL-KRWDZBQOSA-N 1 2 334.420 0.709 20 30 ECEDLO CCN(CCNc1ccnc(C#N)n1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001106879456 770518262 /nfs/dbraw/zinc/51/82/62/770518262.db2.gz NRKXNCOFVZXVIP-CYBMUJFWSA-N 1 2 339.403 0.490 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001019010392 770560825 /nfs/dbraw/zinc/56/08/25/770560825.db2.gz PRZGLXQKNYROGU-UHFFFAOYSA-N 1 2 340.427 0.827 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)C3CC3)C2)C1=O ZINC001077544954 770567366 /nfs/dbraw/zinc/56/73/66/770567366.db2.gz LILDMEJGMVSYES-RBSFLKMASA-N 1 2 335.448 0.371 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)C3CC3)C2)C1=O ZINC001077544954 770567373 /nfs/dbraw/zinc/56/73/73/770567373.db2.gz LILDMEJGMVSYES-RBSFLKMASA-N 1 2 335.448 0.371 20 30 ECEDLO C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001056019395 770570926 /nfs/dbraw/zinc/57/09/26/770570926.db2.gz IMZWQJLCAFLTCI-QGZVFWFLSA-N 1 2 334.420 0.399 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@H]1C ZINC000994421058 770770623 /nfs/dbraw/zinc/77/06/23/770770623.db2.gz ZZIANKAKKMNBTM-ZYHUDNBSSA-N 1 2 340.811 0.821 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@H]1C ZINC000994421058 770770629 /nfs/dbraw/zinc/77/06/29/770770629.db2.gz ZZIANKAKKMNBTM-ZYHUDNBSSA-N 1 2 340.811 0.821 20 30 ECEDLO N#CCSCC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC001056246010 771034002 /nfs/dbraw/zinc/03/40/02/771034002.db2.gz DAHKIMAVOCFADF-UONOGXRCSA-N 1 2 347.444 0.732 20 30 ECEDLO CO[C@@H]1C[N@H+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1NC(=O)C#CC(C)C ZINC001212231350 771105065 /nfs/dbraw/zinc/10/50/65/771105065.db2.gz WCMKMTGVZCBFSE-GVDBMIGSSA-N 1 2 349.475 0.862 20 30 ECEDLO CO[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1NC(=O)C#CC(C)C ZINC001212231350 771105066 /nfs/dbraw/zinc/10/50/66/771105066.db2.gz WCMKMTGVZCBFSE-GVDBMIGSSA-N 1 2 349.475 0.862 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001019334988 771174066 /nfs/dbraw/zinc/17/40/66/771174066.db2.gz QOVLYLDOVDUZIK-KGLIPLIRSA-N 1 2 344.415 0.604 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCn4cc[nH+]c4C3)C2)cn1 ZINC000994602925 771284269 /nfs/dbraw/zinc/28/42/69/771284269.db2.gz QFKIPAOFMCZMSJ-ZDUSSCGKSA-N 1 2 349.394 0.463 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001056456996 771288711 /nfs/dbraw/zinc/28/87/11/771288711.db2.gz WZSCSVUNHLLVAU-LSDHHAIUSA-N 1 2 332.404 0.678 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC3CCCC3)C[C@@H]2O)C1 ZINC001083758439 771290622 /nfs/dbraw/zinc/29/06/22/771290622.db2.gz BVHNSVRHZRZXIC-IMJJTQAJSA-N 1 2 349.475 0.951 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC3CCCC3)C[C@@H]2O)C1 ZINC001083758439 771290626 /nfs/dbraw/zinc/29/06/26/771290626.db2.gz BVHNSVRHZRZXIC-IMJJTQAJSA-N 1 2 349.475 0.951 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031579218 771329488 /nfs/dbraw/zinc/32/94/88/771329488.db2.gz PAFOTVBMMLJWOI-JKSUJKDBSA-N 1 2 327.384 0.915 20 30 ECEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCNC(=O)C1 ZINC001031613348 771453624 /nfs/dbraw/zinc/45/36/24/771453624.db2.gz MALZQEXQGKJKAJ-INIZCTEOSA-N 1 2 343.402 0.751 20 30 ECEDLO COc1ncc(C[NH+]2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)c(C)n1 ZINC001031621044 771478997 /nfs/dbraw/zinc/47/89/97/771478997.db2.gz UAYZBHFSFDYGQZ-UHFFFAOYSA-N 1 2 340.387 0.855 20 30 ECEDLO Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)n1 ZINC001056670697 771496986 /nfs/dbraw/zinc/49/69/86/771496986.db2.gz OHKGAWAKPYABHE-GFCCVEGCSA-N 1 2 325.376 0.646 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@@H](Nc2nccnc2C#N)C1 ZINC001056682051 771509242 /nfs/dbraw/zinc/50/92/42/771509242.db2.gz CVGZLKITTZLULR-GFCCVEGCSA-N 1 2 325.376 0.727 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1C[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001056707801 771538218 /nfs/dbraw/zinc/53/82/18/771538218.db2.gz XWNDWMUXFOOBKT-SOUVJXGZSA-N 1 2 346.431 0.993 20 30 ECEDLO N#Cc1cnc(N[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)cn1 ZINC001056726236 771560363 /nfs/dbraw/zinc/56/03/63/771560363.db2.gz WSXHNWXRSVOBHW-CHWSQXEVSA-N 1 2 337.387 0.820 20 30 ECEDLO N#Cc1cnccc1N[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001056725907 771560985 /nfs/dbraw/zinc/56/09/85/771560985.db2.gz KBAYURIFRDHEOG-DZGCQCFKSA-N 1 2 336.399 0.847 20 30 ECEDLO Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)n1 ZINC001056743182 771579065 /nfs/dbraw/zinc/57/90/65/771579065.db2.gz MNNVJNFYCHBZQT-CYBMUJFWSA-N 1 2 325.376 0.956 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N1CC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001056812366 771675941 /nfs/dbraw/zinc/67/59/41/771675941.db2.gz YWUIUVWPJYEGJO-CYBMUJFWSA-N 1 2 338.371 0.429 20 30 ECEDLO C#CCOc1ncccc1C(=O)N1CC[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001019673426 771702037 /nfs/dbraw/zinc/70/20/37/771702037.db2.gz RLXUOVUDELTGIF-ZDUSSCGKSA-N 1 2 341.371 0.789 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nc(COC)no3)C2)nc1 ZINC001019675297 771703733 /nfs/dbraw/zinc/70/37/33/771703733.db2.gz JKBGZAPOTVQAES-ZDUSSCGKSA-N 1 2 341.371 0.597 20 30 ECEDLO CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001056906665 771791465 /nfs/dbraw/zinc/79/14/65/771791465.db2.gz NBJJGSZTGBDOTO-CYBMUJFWSA-N 1 2 325.376 0.741 20 30 ECEDLO CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001056942170 771839659 /nfs/dbraw/zinc/83/96/59/771839659.db2.gz RPHXYYMJAYRASA-CYBMUJFWSA-N 1 2 325.376 0.362 20 30 ECEDLO CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001056953144 771858602 /nfs/dbraw/zinc/85/86/02/771858602.db2.gz XSZSUUFGTAVQQU-OAHLLOKOSA-N 1 2 339.403 0.752 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCN(c2cncc(C#N)n2)CC1 ZINC001057245722 772336242 /nfs/dbraw/zinc/33/62/42/772336242.db2.gz PUCIUNAQLSQOED-CYBMUJFWSA-N 1 2 339.403 0.989 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCN(c2cncc(C#N)n2)CC1 ZINC001057245722 772336246 /nfs/dbraw/zinc/33/62/46/772336246.db2.gz PUCIUNAQLSQOED-CYBMUJFWSA-N 1 2 339.403 0.989 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CCN1C(=O)C#CC1CC1 ZINC001020250589 772350869 /nfs/dbraw/zinc/35/08/69/772350869.db2.gz QPTCCXMMPFYUBJ-BPUTZDHNSA-N 1 2 340.427 0.965 20 30 ECEDLO C#CCCCCC(=O)N(CCO)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001057390872 772559733 /nfs/dbraw/zinc/55/97/33/772559733.db2.gz SYRAKRHAGIOCMU-MRXNPFEDSA-N 1 2 348.447 0.965 20 30 ECEDLO C=CCC(CC=C)C(=O)N(CCO)CCNC(=O)CCn1cc[nH+]c1 ZINC001057681461 772907928 /nfs/dbraw/zinc/90/79/28/772907928.db2.gz JLQWWBRSNLRECC-UHFFFAOYSA-N 1 2 348.447 0.979 20 30 ECEDLO C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001057694675 772919108 /nfs/dbraw/zinc/91/91/08/772919108.db2.gz NJFVIDQNEGWSDD-UHFFFAOYSA-N 1 2 336.436 0.800 20 30 ECEDLO C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001057806670 773006052 /nfs/dbraw/zinc/00/60/52/773006052.db2.gz MXBWEXPFHOJMMG-HNNXBMFYSA-N 1 2 348.447 0.739 20 30 ECEDLO C#CCC1(C(=O)N(CCO)CCNC(=O)Cc2c[nH+]cn2C)CCC1 ZINC001057821712 773031916 /nfs/dbraw/zinc/03/19/16/773031916.db2.gz PVPNFZGLINJZBY-UHFFFAOYSA-N 1 2 346.431 0.093 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)CCc1c[nH]c[nH+]1 ZINC001057901382 773159316 /nfs/dbraw/zinc/15/93/16/773159316.db2.gz QZULDVBGBSCOKG-ZIAGYGMSSA-N 1 2 336.436 0.738 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)CCc1c[nH+]c[nH]1 ZINC001057901382 773159317 /nfs/dbraw/zinc/15/93/17/773159317.db2.gz QZULDVBGBSCOKG-ZIAGYGMSSA-N 1 2 336.436 0.738 20 30 ECEDLO C=C[C@H](CC)CC(=O)NCCN(CCO)C(=O)CCc1c[nH]c[nH+]1 ZINC001057901428 773159495 /nfs/dbraw/zinc/15/94/95/773159495.db2.gz SXGMSPBKNOAVPK-CQSZACIVSA-N 1 2 336.436 0.882 20 30 ECEDLO C=C[C@H](CC)CC(=O)NCCN(CCO)C(=O)CCc1c[nH+]c[nH]1 ZINC001057901428 773159499 /nfs/dbraw/zinc/15/94/99/773159499.db2.gz SXGMSPBKNOAVPK-CQSZACIVSA-N 1 2 336.436 0.882 20 30 ECEDLO C#CCCCC(=O)NCCN(CCO)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001057972101 773313590 /nfs/dbraw/zinc/31/35/90/773313590.db2.gz OZNIDTLSCGNQJB-UHFFFAOYSA-N 1 2 348.447 0.667 20 30 ECEDLO CN(C(=O)Cc1[nH]cc[nH+]1)C1CCN(c2cncc(C#N)n2)CC1 ZINC001058061641 773456377 /nfs/dbraw/zinc/45/63/77/773456377.db2.gz IMAPDVZZYSOKBV-UHFFFAOYSA-N 1 2 325.376 0.741 20 30 ECEDLO Cc1cc(C#N)nc(N2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001058171742 773694968 /nfs/dbraw/zinc/69/49/68/773694968.db2.gz HHDAUUXBWUJFIM-CYBMUJFWSA-N 1 2 325.376 0.638 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001040630197 783135922 /nfs/dbraw/zinc/13/59/22/783135922.db2.gz QSLLVLNVTKFUDJ-YOEHRIQHSA-N 1 2 334.420 0.565 20 30 ECEDLO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001058303681 773938080 /nfs/dbraw/zinc/93/80/80/773938080.db2.gz GNPZPZXEJNIYTN-AWEZNQCLSA-N 1 2 348.447 0.595 20 30 ECEDLO C[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CN1c1ccc(C#N)nn1 ZINC001039817865 783145439 /nfs/dbraw/zinc/14/54/39/783145439.db2.gz IXSZGVKEWHYKHU-AAEUAGOBSA-N 1 2 325.376 0.788 20 30 ECEDLO CCc1nc(C#N)cc(N2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001058392968 774091492 /nfs/dbraw/zinc/09/14/92/774091492.db2.gz LPVTYFFKUZHJLR-LBPRGKRZSA-N 1 2 325.376 0.502 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)CCn1cc[nH+]c1 ZINC001058437364 774177489 /nfs/dbraw/zinc/17/74/89/774177489.db2.gz BTNNFIGPWDWNCE-HUUCEWRRSA-N 1 2 336.436 0.669 20 30 ECEDLO CC#CCCCC(=O)N(CCO)CCNC(=O)CCn1cc[nH+]c1 ZINC001058444440 774194370 /nfs/dbraw/zinc/19/43/70/774194370.db2.gz RDCXTUWLPDZBOJ-UHFFFAOYSA-N 1 2 334.420 0.404 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N(CCO)CCNC(=O)CCn1cc[nH+]c1 ZINC001058466911 774240351 /nfs/dbraw/zinc/24/03/51/774240351.db2.gz XDXWJUGDARMGFT-OAHLLOKOSA-N 1 2 336.436 0.813 20 30 ECEDLO N#Cc1cnc(N2CC[C@@H](NC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)cn1 ZINC001058474423 774255914 /nfs/dbraw/zinc/25/59/14/774255914.db2.gz HKHAXTGCEKVMPS-CHWSQXEVSA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1cncc(N2CC[C@H](NC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)n1 ZINC001058474500 774256542 /nfs/dbraw/zinc/25/65/42/774256542.db2.gz JDZCIZHXCVCUTI-STQMWFEESA-N 1 2 337.387 0.502 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001039831675 783173650 /nfs/dbraw/zinc/17/36/50/783173650.db2.gz ZIGIIGKKUJXWSZ-SCLBCKFNSA-N 1 2 348.447 0.880 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001039831675 783173657 /nfs/dbraw/zinc/17/36/57/783173657.db2.gz ZIGIIGKKUJXWSZ-SCLBCKFNSA-N 1 2 348.447 0.880 20 30 ECEDLO N#Cc1cncc(N2CC[C@H](NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)n1 ZINC001058541301 774392995 /nfs/dbraw/zinc/39/29/95/774392995.db2.gz HSCWWSLBFBRIFL-AAEUAGOBSA-N 1 2 337.387 0.886 20 30 ECEDLO N#Cc1nccc(N2CC[C@H](NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)n1 ZINC001058541773 774394839 /nfs/dbraw/zinc/39/48/39/774394839.db2.gz TXLLDDKPRFFJAL-RYUDHWBXSA-N 1 2 337.387 0.886 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 ZINC001058586100 774481185 /nfs/dbraw/zinc/48/11/85/774481185.db2.gz DTCPFEQEJXQXDQ-CYBMUJFWSA-N 1 2 338.371 0.689 20 30 ECEDLO N#Cc1cccnc1N1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001044767905 774591067 /nfs/dbraw/zinc/59/10/67/774591067.db2.gz NHWOYQBLXKBSOA-CVEARBPZSA-N 1 2 348.366 0.809 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001044979483 774793152 /nfs/dbraw/zinc/79/31/52/774793152.db2.gz FYUKQJPEUTYTKK-QWHCGFSZSA-N 1 2 334.420 0.110 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001044980352 774795052 /nfs/dbraw/zinc/79/50/52/774795052.db2.gz LZCBZYQJLCITMY-OLZOCXBDSA-N 1 2 348.447 0.835 20 30 ECEDLO CC#CCCCC(=O)NCC1(O)CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001045002794 774821606 /nfs/dbraw/zinc/82/16/06/774821606.db2.gz GSHMUFUVYMFOJC-OAHLLOKOSA-N 1 2 346.431 0.717 20 30 ECEDLO C=CCC1(C(=O)N2CC(O)(CNC(=O)Cc3[nH]cc[nH+]3)C2)CCCC1 ZINC001045286210 775319641 /nfs/dbraw/zinc/31/96/41/775319641.db2.gz JJDZRNBFWZZYJH-UHFFFAOYSA-N 1 2 346.431 0.778 20 30 ECEDLO C=CCn1cc(C(=O)N(C)C2C[NH+](C[C@@H](O)c3ccccc3)C2)nn1 ZINC001044022257 775534606 /nfs/dbraw/zinc/53/46/06/775534606.db2.gz HTQJHLJFCOHHQL-QGZVFWFLSA-N 1 2 341.415 0.954 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2csc3cncn32)[C@@H](n2ccnn2)C1 ZINC001070043848 790433884 /nfs/dbraw/zinc/43/38/84/790433884.db2.gz MGDYRJGMTDRGHH-NEPJUHHUSA-N 1 2 343.416 0.829 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2csc3cncn32)[C@@H](n2ccnn2)C1 ZINC001070043848 790433891 /nfs/dbraw/zinc/43/38/91/790433891.db2.gz MGDYRJGMTDRGHH-NEPJUHHUSA-N 1 2 343.416 0.829 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H](CNc2cncc(C#N)n2)C1 ZINC001068506595 790435226 /nfs/dbraw/zinc/43/52/26/790435226.db2.gz RZCCNHHTRVSHKZ-HAQNSBGRSA-N 1 2 325.376 0.631 20 30 ECEDLO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001044463373 776323393 /nfs/dbraw/zinc/32/33/93/776323393.db2.gz DHIXTLJERPDTBL-UHFFFAOYSA-N 1 2 347.415 0.534 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001079686751 776685558 /nfs/dbraw/zinc/68/55/58/776685558.db2.gz JKRPGGAXEXNABZ-SFHVURJKSA-N 1 2 348.447 0.739 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001079686750 776686057 /nfs/dbraw/zinc/68/60/57/776686057.db2.gz JKRPGGAXEXNABZ-GOSISDBHSA-N 1 2 348.447 0.739 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(C(F)F)c2)[C@@H](n2ccnn2)C1 ZINC001070064430 790487279 /nfs/dbraw/zinc/48/72/79/790487279.db2.gz RFFVTJRDDYKWRR-OLZOCXBDSA-N 1 2 349.345 0.548 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnn(C(F)F)c2)[C@@H](n2ccnn2)C1 ZINC001070064430 790487286 /nfs/dbraw/zinc/48/72/86/790487286.db2.gz RFFVTJRDDYKWRR-OLZOCXBDSA-N 1 2 349.345 0.548 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cn(CC3CC3)nn2)[C@@H](n2ccnn2)C1 ZINC001070065616 790489813 /nfs/dbraw/zinc/48/98/13/790489813.db2.gz ADOSFPRLXCKPFE-HIFRSBDPSA-N 1 2 342.407 0.121 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cn(CC3CC3)nn2)[C@@H](n2ccnn2)C1 ZINC001070065616 790489823 /nfs/dbraw/zinc/48/98/23/790489823.db2.gz ADOSFPRLXCKPFE-HIFRSBDPSA-N 1 2 342.407 0.121 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@]2(C)CCCOC2)[C@@H](n2ccnn2)C1 ZINC001070065683 790491465 /nfs/dbraw/zinc/49/14/65/790491465.db2.gz DGAVOCVSWCBXMN-HLLBOEOZSA-N 1 2 331.420 0.460 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@]2(C)CCCOC2)[C@@H](n2ccnn2)C1 ZINC001070065683 790491472 /nfs/dbraw/zinc/49/14/72/790491472.db2.gz DGAVOCVSWCBXMN-HLLBOEOZSA-N 1 2 331.420 0.460 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001079852474 776979158 /nfs/dbraw/zinc/97/91/58/776979158.db2.gz KMZZWMMEGHHKNY-SCLBCKFNSA-N 1 2 348.447 0.975 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001079852474 776979161 /nfs/dbraw/zinc/97/91/61/776979161.db2.gz KMZZWMMEGHHKNY-SCLBCKFNSA-N 1 2 348.447 0.975 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ncccc2OC)[C@@H](n2ccnn2)C1 ZINC001070082863 790542934 /nfs/dbraw/zinc/54/29/34/790542934.db2.gz YQKPOXUCLFUEBQ-OLZOCXBDSA-N 1 2 328.376 0.523 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ncccc2OC)[C@@H](n2ccnn2)C1 ZINC001070082863 790542948 /nfs/dbraw/zinc/54/29/48/790542948.db2.gz YQKPOXUCLFUEBQ-OLZOCXBDSA-N 1 2 328.376 0.523 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001080433621 777850720 /nfs/dbraw/zinc/85/07/20/777850720.db2.gz KQDRSTCNNLVTFB-UDZFHETQSA-N 1 2 344.253 0.858 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001080433621 777850726 /nfs/dbraw/zinc/85/07/26/777850726.db2.gz KQDRSTCNNLVTFB-UDZFHETQSA-N 1 2 344.253 0.858 20 30 ECEDLO C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001043316150 778147659 /nfs/dbraw/zinc/14/76/59/778147659.db2.gz XNKPRWWJVVMIIU-CYBMUJFWSA-N 1 2 346.431 0.875 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cnc(OCC)cn2)[C@@H](n2ccnn2)C1 ZINC001070109301 790632978 /nfs/dbraw/zinc/63/29/78/790632978.db2.gz PZZSVPXUWNPLTF-KGLIPLIRSA-N 1 2 343.391 0.308 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnc(OCC)cn2)[C@@H](n2ccnn2)C1 ZINC001070109301 790632983 /nfs/dbraw/zinc/63/29/83/790632983.db2.gz PZZSVPXUWNPLTF-KGLIPLIRSA-N 1 2 343.391 0.308 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001043622275 778611234 /nfs/dbraw/zinc/61/12/34/778611234.db2.gz JIMNLMZXCCFPJU-CYBMUJFWSA-N 1 2 346.431 0.347 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)/C(C)=C/CC)C1 ZINC001043649641 778666602 /nfs/dbraw/zinc/66/66/02/778666602.db2.gz QJLHPTQBJANKQM-LULHVWEPSA-N 1 2 333.432 0.130 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)/C(C)=C/CC)C1 ZINC001043649641 778666606 /nfs/dbraw/zinc/66/66/06/778666606.db2.gz QJLHPTQBJANKQM-LULHVWEPSA-N 1 2 333.432 0.130 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H](C)CCC)C1 ZINC001043650220 778667343 /nfs/dbraw/zinc/66/73/43/778667343.db2.gz ROVHFNINJDPXSD-GJZGRUSLSA-N 1 2 335.448 0.210 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H](C)CCC)C1 ZINC001043650220 778667344 /nfs/dbraw/zinc/66/73/44/778667344.db2.gz ROVHFNINJDPXSD-GJZGRUSLSA-N 1 2 335.448 0.210 20 30 ECEDLO CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001043675024 778701171 /nfs/dbraw/zinc/70/11/71/778701171.db2.gz RRVFNEMWKRGKMC-ZIAGYGMSSA-N 1 2 344.415 0.396 20 30 ECEDLO CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001043675024 778701178 /nfs/dbraw/zinc/70/11/78/778701178.db2.gz RRVFNEMWKRGKMC-ZIAGYGMSSA-N 1 2 344.415 0.396 20 30 ECEDLO C=C(C)CCC(=O)N1CC(O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001043696616 778738543 /nfs/dbraw/zinc/73/85/43/778738543.db2.gz CKYNHAMANNHUIG-UHFFFAOYSA-N 1 2 334.420 0.709 20 30 ECEDLO O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CCC2(CN(C(=O)C#CC3CC3)C2)O1 ZINC001068613138 790709919 /nfs/dbraw/zinc/70/99/19/790709919.db2.gz RFYIOLJAABRWEZ-CQSZACIVSA-N 1 2 342.399 0.242 20 30 ECEDLO CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1n1ccnn1 ZINC001070159978 790788327 /nfs/dbraw/zinc/78/83/27/790788327.db2.gz YKAGULCOYCEUQC-MCIONIFRSA-N 1 2 342.407 0.196 20 30 ECEDLO C#CCCCCC(=O)NCC1(O)CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001042664180 780608349 /nfs/dbraw/zinc/60/83/49/780608349.db2.gz QATUDPFMPSVZEP-OAHLLOKOSA-N 1 2 346.431 0.717 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001078960613 780655140 /nfs/dbraw/zinc/65/51/40/780655140.db2.gz XTWOIWNEENIXSK-JKSUJKDBSA-N 1 2 346.431 0.761 20 30 ECEDLO C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001042802338 780848431 /nfs/dbraw/zinc/84/84/31/780848431.db2.gz IJFRYSWAXULTPC-CYBMUJFWSA-N 1 2 332.404 0.081 20 30 ECEDLO C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001042802338 780848437 /nfs/dbraw/zinc/84/84/37/780848437.db2.gz IJFRYSWAXULTPC-CYBMUJFWSA-N 1 2 332.404 0.081 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001042828030 780900998 /nfs/dbraw/zinc/90/09/98/780900998.db2.gz JEGRXFSHSGLDKJ-OLZOCXBDSA-N 1 2 334.420 0.490 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC2(CCN(CC#N)CC2)[C@H]2COC[C@H]21 ZINC001079270496 780946336 /nfs/dbraw/zinc/94/63/36/780946336.db2.gz VDJIRWXYKNYJQH-JKSUJKDBSA-N 1 2 343.431 0.426 20 30 ECEDLO CO[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001042873233 780973726 /nfs/dbraw/zinc/97/37/26/780973726.db2.gz XPLOYPTYWZKXNH-CHWSQXEVSA-N 1 2 326.360 0.239 20 30 ECEDLO C=CCn1cccc1C(=O)N(C)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001042928279 781053438 /nfs/dbraw/zinc/05/34/38/781053438.db2.gz FKUXEROGDPRAIJ-INIZCTEOSA-N 1 2 343.431 0.688 20 30 ECEDLO C#CCCCCC(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001079540953 781242094 /nfs/dbraw/zinc/24/20/94/781242094.db2.gz 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/nfs/dbraw/zinc/81/15/98/783811598.db2.gz BLLUIZAPYOKMNT-HIFRSBDPSA-N 1 2 331.420 0.320 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@@H+]2[C@@H]2CCN(C3CCC3)C2=O)c1 ZINC001038143726 783914482 /nfs/dbraw/zinc/91/44/82/783914482.db2.gz IENDHRJDQPKMSB-GDBMZVCRSA-N 1 2 341.415 0.844 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@H+]2[C@@H]2CCN(C3CCC3)C2=O)c1 ZINC001038143726 783914491 /nfs/dbraw/zinc/91/44/91/783914491.db2.gz IENDHRJDQPKMSB-GDBMZVCRSA-N 1 2 341.415 0.844 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)c2c(C)ccn2C)C1=O ZINC001038189958 783972778 /nfs/dbraw/zinc/97/27/78/783972778.db2.gz IVDPSMOFFCUTKH-GJZGRUSLSA-N 1 2 330.432 0.925 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)c2c(C)ccn2C)C1=O ZINC001038189958 783972782 /nfs/dbraw/zinc/97/27/82/783972782.db2.gz IVDPSMOFFCUTKH-GJZGRUSLSA-N 1 2 330.432 0.925 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)C1CCOCC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070439762 784075018 /nfs/dbraw/zinc/07/50/18/784075018.db2.gz YSUCZGNJQYKKOX-OAHLLOKOSA-N 1 2 343.431 0.401 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1ccnn1C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442437 784085677 /nfs/dbraw/zinc/08/56/77/784085677.db2.gz IHKOEGFHLAZETE-CYBMUJFWSA-N 1 2 339.403 0.021 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1coc(C)n1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070443926 784091740 /nfs/dbraw/zinc/09/17/40/784091740.db2.gz CSPKNZPOIVVPEO-CYBMUJFWSA-N 1 2 340.387 0.584 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001070912197 784103186 /nfs/dbraw/zinc/10/31/86/784103186.db2.gz XBHUTSZCNLCXIC-UPJWGTAASA-N 1 2 331.376 0.315 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001070912197 784103192 /nfs/dbraw/zinc/10/31/92/784103192.db2.gz XBHUTSZCNLCXIC-UPJWGTAASA-N 1 2 331.376 0.315 20 30 ECEDLO CC#CC[NH+]1CC2(C1)CN(C(=O)c1cnon1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070450483 784109965 /nfs/dbraw/zinc/10/99/65/784109965.db2.gz HEJWAJVOAHROJC-GFCCVEGCSA-N 1 2 341.375 0.061 20 30 ECEDLO C=CC[NH+]1CC2(C1)CN(C(=O)c1nonc1C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070451222 784111854 /nfs/dbraw/zinc/11/18/54/784111854.db2.gz VVSSUUMGHQPNDY-GFCCVEGCSA-N 1 2 343.391 0.532 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2scnc2C)CC1 ZINC001070942208 784177801 /nfs/dbraw/zinc/17/78/01/784177801.db2.gz SRNYNAYXKJKCKW-UHFFFAOYSA-N 1 2 334.445 0.739 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2scnc2C)CC1 ZINC001070942208 784177803 /nfs/dbraw/zinc/17/78/03/784177803.db2.gz SRNYNAYXKJKCKW-UHFFFAOYSA-N 1 2 334.445 0.739 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC(=O)NCC[N@@H+](Cc2ccccc2)CC1 ZINC001070946941 784192889 /nfs/dbraw/zinc/19/28/89/784192889.db2.gz CKUDZDPDZOUTRY-HNNXBMFYSA-N 1 2 328.416 0.997 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC(=O)NCC[N@H+](Cc2ccccc2)CC1 ZINC001070946941 784192897 /nfs/dbraw/zinc/19/28/97/784192897.db2.gz CKUDZDPDZOUTRY-HNNXBMFYSA-N 1 2 328.416 0.997 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cnccc2C)CC1 ZINC001070949719 784201713 /nfs/dbraw/zinc/20/17/13/784201713.db2.gz 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C#CCN1CCNC(=O)CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001070973872 784283990 /nfs/dbraw/zinc/28/39/90/784283990.db2.gz YKYHKUXTBUSWNK-UHFFFAOYSA-N 1 2 345.447 0.210 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCc3nccn3C2)CC1 ZINC001070976436 784291476 /nfs/dbraw/zinc/29/14/76/784291476.db2.gz BZRMFAXNMZWSBL-OAHLLOKOSA-N 1 2 345.447 0.282 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCc3nccn3C2)CC1 ZINC001070976436 784291482 /nfs/dbraw/zinc/29/14/82/784291482.db2.gz BZRMFAXNMZWSBL-OAHLLOKOSA-N 1 2 345.447 0.282 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2ccnc(OC)c2)CC1 ZINC001070976828 784294042 /nfs/dbraw/zinc/29/40/42/784294042.db2.gz QZDPENKUEJHHMZ-UHFFFAOYSA-N 1 2 346.431 0.930 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2ccnc(OC)c2)CC1 ZINC001070976828 784294046 /nfs/dbraw/zinc/29/40/46/784294046.db2.gz QZDPENKUEJHHMZ-UHFFFAOYSA-N 1 2 346.431 0.930 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2n[nH]c3c2CCC3)CC1 ZINC001070977982 784297627 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C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCn2cc(C)cn2)CC1 ZINC001071022894 784448419 /nfs/dbraw/zinc/44/84/19/784448419.db2.gz GYHQUFGBQYIFKF-UHFFFAOYSA-N 1 2 333.436 0.418 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCn2cc(C)cn2)CC1 ZINC001071022894 784448420 /nfs/dbraw/zinc/44/84/20/784448420.db2.gz GYHQUFGBQYIFKF-UHFFFAOYSA-N 1 2 333.436 0.418 20 30 ECEDLO C[C@H](C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1)n1cccn1 ZINC001070626254 784455053 /nfs/dbraw/zinc/45/50/53/784455053.db2.gz VIMSJAORZKARHU-MGPQQGTHSA-N 1 2 327.392 0.285 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cc[nH]c(=O)c2)C[C@H]1NCC#N ZINC001070635764 784470603 /nfs/dbraw/zinc/47/06/03/784470603.db2.gz VIDWTMKUCQGJMP-CHWSQXEVSA-N 1 2 326.360 0.242 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001071084189 784526883 /nfs/dbraw/zinc/52/68/83/784526883.db2.gz HYOJHABELCUQOL-RDTXWAMCSA-N 1 2 348.447 0.787 20 30 ECEDLO Cn1ccnc1CCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070672727 784530180 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C#CCOc1ncccc1C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NC)C1 ZINC001072006365 785515284 /nfs/dbraw/zinc/51/52/84/785515284.db2.gz SFEGDLKGICZQLO-UONOGXRCSA-N 1 2 344.415 0.422 20 30 ECEDLO C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001072050003 785572832 /nfs/dbraw/zinc/57/28/32/785572832.db2.gz XWEOTMIOVQNBMV-DZGCQCFKSA-N 1 2 328.416 0.729 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CN2CCNC(=O)C2)CC[C@@H]1C ZINC001071739485 785620412 /nfs/dbraw/zinc/62/04/12/785620412.db2.gz UCOWPMNOMGJFOJ-QWHCGFSZSA-N 1 2 328.844 0.140 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CN2CCNC(=O)C2)CC[C@@H]1C ZINC001071739485 785620419 /nfs/dbraw/zinc/62/04/19/785620419.db2.gz UCOWPMNOMGJFOJ-QWHCGFSZSA-N 1 2 328.844 0.140 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)CC[C@@H]1C ZINC001071739486 785620529 /nfs/dbraw/zinc/62/05/29/785620529.db2.gz UCOWPMNOMGJFOJ-STQMWFEESA-N 1 2 328.844 0.140 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)CC[C@@H]1C ZINC001071739486 785620535 /nfs/dbraw/zinc/62/05/35/785620535.db2.gz UCOWPMNOMGJFOJ-STQMWFEESA-N 1 2 328.844 0.140 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1NC(=O)CSCC#N ZINC001072510780 786302720 /nfs/dbraw/zinc/30/27/20/786302720.db2.gz RQOIJGJJNTYIKO-QWHCGFSZSA-N 1 2 349.460 0.573 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001072514025 786309734 /nfs/dbraw/zinc/30/97/34/786309734.db2.gz VNEZYPJRVVSTAL-HIFRSBDPSA-N 1 2 334.420 0.518 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4n[nH]nc4n3)C[C@@H]21 ZINC001074260706 786536870 /nfs/dbraw/zinc/53/68/70/786536870.db2.gz YTIYAFGOQMAGHR-LSDHHAIUSA-N 1 2 340.387 0.292 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4n[nH]nc4n3)C[C@@H]21 ZINC001074260706 786536874 /nfs/dbraw/zinc/53/68/74/786536874.db2.gz YTIYAFGOQMAGHR-LSDHHAIUSA-N 1 2 340.387 0.292 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3nc(C)cc3C)C[C@@H]21 ZINC001074292532 786610597 /nfs/dbraw/zinc/61/05/97/786610597.db2.gz XBTMPHPIIFMWFE-DLBZAZTESA-N 1 2 330.432 0.825 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3nc(C)cc3C)C[C@@H]21 ZINC001074292532 786610602 /nfs/dbraw/zinc/61/06/02/786610602.db2.gz XBTMPHPIIFMWFE-DLBZAZTESA-N 1 2 330.432 0.825 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCc3cncnc3)C[C@@H]21 ZINC001074296758 786620883 /nfs/dbraw/zinc/62/08/83/786620883.db2.gz ILNSSYBURLIYRV-IRXDYDNUSA-N 1 2 328.416 0.734 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCc3cncnc3)C[C@@H]21 ZINC001074296758 786620893 /nfs/dbraw/zinc/62/08/93/786620893.db2.gz ILNSSYBURLIYRV-IRXDYDNUSA-N 1 2 328.416 0.734 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3c(C)c(C)n[nH]c3=O)C[C@H]21 ZINC001074309382 786646288 /nfs/dbraw/zinc/64/62/88/786646288.db2.gz DBUSAJKLWZJVRH-CABCVRRESA-N 1 2 344.415 0.738 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3c(C)c(C)n[nH]c3=O)C[C@H]21 ZINC001074309382 786646292 /nfs/dbraw/zinc/64/62/92/786646292.db2.gz DBUSAJKLWZJVRH-CABCVRRESA-N 1 2 344.415 0.738 20 30 ECEDLO C=C(C)CCC(=O)N1CCN(C2CN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001073576413 786657730 /nfs/dbraw/zinc/65/77/30/786657730.db2.gz IKYKVORZZBFHQH-UHFFFAOYSA-N 1 2 345.447 0.594 20 30 ECEDLO Cn1nncc1C[N@@H+]1CCCO[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001073577136 786660170 /nfs/dbraw/zinc/66/01/70/786660170.db2.gz OLQHGXQSHQIWRU-OAHLLOKOSA-N 1 2 343.391 0.036 20 30 ECEDLO Cn1nncc1C[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001073577136 786660172 /nfs/dbraw/zinc/66/01/72/786660172.db2.gz OLQHGXQSHQIWRU-OAHLLOKOSA-N 1 2 343.391 0.036 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)COc3cnn(C)c3)C[C@@H]21 ZINC001074322783 786673270 /nfs/dbraw/zinc/67/32/70/786673270.db2.gz XSWFFLGGAMTQSM-JKSUJKDBSA-N 1 2 334.420 0.677 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)COc3cnn(C)c3)C[C@@H]21 ZINC001074322783 786673276 /nfs/dbraw/zinc/67/32/76/786673276.db2.gz XSWFFLGGAMTQSM-JKSUJKDBSA-N 1 2 334.420 0.677 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3nnn(CC)c3CC)C[C@@H]21 ZINC001074338816 786705041 /nfs/dbraw/zinc/70/50/41/786705041.db2.gz NYMJBCJEVQGLSN-HOTGVXAUSA-N 1 2 345.447 0.799 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3nnn(CC)c3CC)C[C@@H]21 ZINC001074338816 786705050 /nfs/dbraw/zinc/70/50/50/786705050.db2.gz NYMJBCJEVQGLSN-HOTGVXAUSA-N 1 2 345.447 0.799 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@@H]3OCC[N@@H+](CCCO)[C@H]3C2)nn1 ZINC001074353072 786736062 /nfs/dbraw/zinc/73/60/62/786736062.db2.gz BPJNKUSVWCRRJA-HOTGVXAUSA-N 1 2 349.435 0.152 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@@H]3OCC[N@H+](CCCO)[C@H]3C2)nn1 ZINC001074353072 786736075 /nfs/dbraw/zinc/73/60/75/786736075.db2.gz BPJNKUSVWCRRJA-HOTGVXAUSA-N 1 2 349.435 0.152 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc4nncn4c3)C[C@H]21 ZINC001074356922 786745002 /nfs/dbraw/zinc/74/50/02/786745002.db2.gz RRIMGPVOFDJOGG-CVEARBPZSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc4nncn4c3)C[C@H]21 ZINC001074356922 786745009 /nfs/dbraw/zinc/74/50/09/786745009.db2.gz RRIMGPVOFDJOGG-CVEARBPZSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3ncccn3)C[C@@H]21 ZINC001074365988 786768580 /nfs/dbraw/zinc/76/85/80/786768580.db2.gz MJNUZYRQZUASJP-JKSUJKDBSA-N 1 2 328.416 0.734 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3ncccn3)C[C@@H]21 ZINC001074365988 786768586 /nfs/dbraw/zinc/76/85/86/786768586.db2.gz MJNUZYRQZUASJP-JKSUJKDBSA-N 1 2 328.416 0.734 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(N(C)C)nn3)C[C@H]21 ZINC001074384528 786818970 /nfs/dbraw/zinc/81/89/70/786818970.db2.gz IFJBQVBXGXIDQD-HZPDHXFCSA-N 1 2 343.431 0.481 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(N(C)C)nn3)C[C@H]21 ZINC001074384528 786818978 /nfs/dbraw/zinc/81/89/78/786818978.db2.gz IFJBQVBXGXIDQD-HZPDHXFCSA-N 1 2 343.431 0.481 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3CCN(C(N)=O)CC3)C[C@@H]21 ZINC001074402043 786864023 /nfs/dbraw/zinc/86/40/23/786864023.db2.gz CDBSTFCWXKYZRI-JKSUJKDBSA-N 1 2 348.447 0.102 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CCN(C(N)=O)CC3)C[C@@H]21 ZINC001074402043 786864035 /nfs/dbraw/zinc/86/40/35/786864035.db2.gz CDBSTFCWXKYZRI-JKSUJKDBSA-N 1 2 348.447 0.102 20 30 ECEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3cc(C)on3)C[C@H]21 ZINC001074402640 786866982 /nfs/dbraw/zinc/86/69/82/786866982.db2.gz JSICKXCNTNALEG-KGLIPLIRSA-N 1 2 348.403 0.799 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3cc(C)on3)C[C@H]21 ZINC001074402640 786866991 /nfs/dbraw/zinc/86/69/91/786866991.db2.gz JSICKXCNTNALEG-KGLIPLIRSA-N 1 2 348.403 0.799 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001073649457 786871956 /nfs/dbraw/zinc/87/19/56/786871956.db2.gz WAIUJXWYUUQXDV-LLVKDONJSA-N 1 2 328.800 0.997 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001073649457 786871967 /nfs/dbraw/zinc/87/19/67/786871967.db2.gz WAIUJXWYUUQXDV-LLVKDONJSA-N 1 2 328.800 0.997 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4n[nH]nc4c3)C[C@H]21 ZINC001074404786 786875518 /nfs/dbraw/zinc/87/55/18/786875518.db2.gz IBTRQDHCSUTSPY-IAGOWNOFSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4n[nH]nc4c3)C[C@H]21 ZINC001074404786 786875527 /nfs/dbraw/zinc/87/55/27/786875527.db2.gz IBTRQDHCSUTSPY-IAGOWNOFSA-N 1 2 339.399 0.897 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001073668087 786921368 /nfs/dbraw/zinc/92/13/68/786921368.db2.gz VZFCDUXJNYWYDD-OLZOCXBDSA-N 1 2 329.828 0.472 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001073668087 786921373 /nfs/dbraw/zinc/92/13/73/786921373.db2.gz VZFCDUXJNYWYDD-OLZOCXBDSA-N 1 2 329.828 0.472 20 30 ECEDLO C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001073684295 786965402 /nfs/dbraw/zinc/96/54/02/786965402.db2.gz NIZWATFRXDTLBB-UONOGXRCSA-N 1 2 330.450 0.204 20 30 ECEDLO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001073684295 786965409 /nfs/dbraw/zinc/96/54/09/786965409.db2.gz NIZWATFRXDTLBB-UONOGXRCSA-N 1 2 330.450 0.204 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001073729530 787074978 /nfs/dbraw/zinc/07/49/78/787074978.db2.gz ORTALVHRLFWGGP-QWHCGFSZSA-N 1 2 329.828 0.424 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001073729530 787074981 /nfs/dbraw/zinc/07/49/81/787074981.db2.gz ORTALVHRLFWGGP-QWHCGFSZSA-N 1 2 329.828 0.424 20 30 ECEDLO C#CCN1CCCO[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001073835207 787312140 /nfs/dbraw/zinc/31/21/40/787312140.db2.gz WVNIJCHAIFZHRE-KRWDZBQOSA-N 1 2 339.399 0.721 20 30 ECEDLO C#CCN1CCCO[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001073835208 787312847 /nfs/dbraw/zinc/31/28/47/787312847.db2.gz WVNIJCHAIFZHRE-QGZVFWFLSA-N 1 2 339.399 0.721 20 30 ECEDLO C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001074590752 787340102 /nfs/dbraw/zinc/34/01/02/787340102.db2.gz AJWGCAPIJGLSMV-ZIAGYGMSSA-N 1 2 347.419 0.464 20 30 ECEDLO C=CCCC(=O)NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001074630026 787446820 /nfs/dbraw/zinc/44/68/20/787446820.db2.gz YPJLZJISKJQLRK-ZIAGYGMSSA-N 1 2 346.431 0.949 20 30 ECEDLO C=CCCC(=O)NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001074630026 787446825 /nfs/dbraw/zinc/44/68/25/787446825.db2.gz YPJLZJISKJQLRK-ZIAGYGMSSA-N 1 2 346.431 0.949 20 30 ECEDLO C=C(C)CCC(=O)NCC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001074631999 787454006 /nfs/dbraw/zinc/45/40/06/787454006.db2.gz PNLZDQFDJRUXMY-UHFFFAOYSA-N 1 2 334.420 0.709 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC001074663316 787536202 /nfs/dbraw/zinc/53/62/02/787536202.db2.gz FESSPHOMORRQQS-OAGGEKHMSA-N 1 2 347.459 0.210 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC001074663316 787536209 /nfs/dbraw/zinc/53/62/09/787536209.db2.gz FESSPHOMORRQQS-OAGGEKHMSA-N 1 2 347.459 0.210 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC001074676470 787568463 /nfs/dbraw/zinc/56/84/63/787568463.db2.gz FESSPHOMORRQQS-JYJNAYRXSA-N 1 2 347.459 0.210 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC001074676470 787568470 /nfs/dbraw/zinc/56/84/70/787568470.db2.gz FESSPHOMORRQQS-JYJNAYRXSA-N 1 2 347.459 0.210 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC(O)(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001074680158 787576644 /nfs/dbraw/zinc/57/66/44/787576644.db2.gz OSKSGXYRTOADMD-UONOGXRCSA-N 1 2 348.447 0.880 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001074706207 787647087 /nfs/dbraw/zinc/64/70/87/787647087.db2.gz IKTJAGKJSDICFN-ZIAGYGMSSA-N 1 2 347.419 0.464 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001074038089 787736838 /nfs/dbraw/zinc/73/68/38/787736838.db2.gz CJLNMRNMTDQECQ-CABCVRRESA-N 1 2 334.420 0.829 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC001074991352 788679587 /nfs/dbraw/zinc/67/95/87/788679587.db2.gz SUJRGRIMMQWGMT-LSDHHAIUSA-N 1 2 346.431 0.878 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC001074991352 788679591 /nfs/dbraw/zinc/67/95/91/788679591.db2.gz SUJRGRIMMQWGMT-LSDHHAIUSA-N 1 2 346.431 0.878 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001075038609 788778944 /nfs/dbraw/zinc/77/89/44/788778944.db2.gz JMJYPLVGOQKSEH-HUUCEWRRSA-N 1 2 346.431 0.878 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001075038609 788778949 /nfs/dbraw/zinc/77/89/49/788778949.db2.gz JMJYPLVGOQKSEH-HUUCEWRRSA-N 1 2 346.431 0.878 20 30 ECEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001072987293 789229588 /nfs/dbraw/zinc/22/95/88/789229588.db2.gz KDINKFBRCCNEGQ-MNOVXSKESA-N 1 2 342.237 0.551 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 ZINC001072987293 789229591 /nfs/dbraw/zinc/22/95/91/789229591.db2.gz KDINKFBRCCNEGQ-MNOVXSKESA-N 1 2 342.237 0.551 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCC(C)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001073027348 789300556 /nfs/dbraw/zinc/30/05/56/789300556.db2.gz HACPFFUAUNRZAX-CYBMUJFWSA-N 1 2 332.404 0.488 20 30 ECEDLO N#CCN[C@@H]1CCO[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001075397917 789325062 /nfs/dbraw/zinc/32/50/62/789325062.db2.gz UGFQTNCLFUFLAG-HZPDHXFCSA-N 1 2 331.420 0.782 20 30 ECEDLO C=CCn1cc(C(=O)N2CC3(C2)CC[N@@H+](Cc2ccn(C)n2)C3)nn1 ZINC001073043418 789334517 /nfs/dbraw/zinc/33/45/17/789334517.db2.gz XXGYEMUQULXTPH-UHFFFAOYSA-N 1 2 341.419 0.546 20 30 ECEDLO C=CCn1cc(C(=O)N2CC3(C2)CC[N@H+](Cc2ccn(C)n2)C3)nn1 ZINC001073043418 789334528 /nfs/dbraw/zinc/33/45/28/789334528.db2.gz XXGYEMUQULXTPH-UHFFFAOYSA-N 1 2 341.419 0.546 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCCN1c1ccc(C#N)nn1 ZINC001069376251 789783858 /nfs/dbraw/zinc/78/38/58/789783858.db2.gz UUKZQMGCAKHCLY-DOMZBBRYSA-N 1 2 339.403 0.798 20 30 ECEDLO N#Cc1cncc(NC[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001069475506 789850336 /nfs/dbraw/zinc/85/03/36/789850336.db2.gz ICUDNVCNJAAMKO-STQMWFEESA-N 1 2 325.376 0.942 20 30 ECEDLO CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1Nc1cncc(C#N)n1 ZINC001069620194 789935883 /nfs/dbraw/zinc/93/58/83/789935883.db2.gz ZNYXHTOIYCYHNH-CYBMUJFWSA-N 1 2 325.376 0.963 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3OCCO[C@H]3C)c2C1 ZINC001069863440 790117952 /nfs/dbraw/zinc/11/79/52/790117952.db2.gz QIWFTYVGRHZVMM-BBRMVZONSA-N 1 2 334.420 0.695 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3OCCO[C@H]3C)c2C1 ZINC001069863440 790117957 /nfs/dbraw/zinc/11/79/57/790117957.db2.gz QIWFTYVGRHZVMM-BBRMVZONSA-N 1 2 334.420 0.695 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CCCCC(=O)N3)c2C1 ZINC001069873165 790135008 /nfs/dbraw/zinc/13/50/08/790135008.db2.gz SXHYSJNIPKHTGU-HNNXBMFYSA-N 1 2 345.447 0.950 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CCCCC(=O)N3)c2C1 ZINC001069873165 790135010 /nfs/dbraw/zinc/13/50/10/790135010.db2.gz SXHYSJNIPKHTGU-HNNXBMFYSA-N 1 2 345.447 0.950 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CCCC(=O)N3C)c2C1 ZINC001069882261 790147263 /nfs/dbraw/zinc/14/72/63/790147263.db2.gz YFFZZLRLUBODFG-HNNXBMFYSA-N 1 2 345.447 0.902 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CCCC(=O)N3C)c2C1 ZINC001069882261 790147266 /nfs/dbraw/zinc/14/72/66/790147266.db2.gz YFFZZLRLUBODFG-HNNXBMFYSA-N 1 2 345.447 0.902 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2snnc2C)[C@@H](n2ccnn2)C1 ZINC001069894761 790163414 /nfs/dbraw/zinc/16/34/14/790163414.db2.gz KSALQQBFAAYZCB-NEPJUHHUSA-N 1 2 333.421 0.669 20 30 ECEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2snnc2C)[C@@H](n2ccnn2)C1 ZINC001069894761 790163418 /nfs/dbraw/zinc/16/34/18/790163418.db2.gz KSALQQBFAAYZCB-NEPJUHHUSA-N 1 2 333.421 0.669 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C3CC3)nn2C)[C@@H](n2ccnn2)C1 ZINC001069937896 790211633 /nfs/dbraw/zinc/21/16/33/790211633.db2.gz UFUAKYNKXWCCNL-ZBFHGGJFSA-N 1 2 339.403 0.178 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C3CC3)nn2C)[C@@H](n2ccnn2)C1 ZINC001069937896 790211635 /nfs/dbraw/zinc/21/16/35/790211635.db2.gz UFUAKYNKXWCCNL-ZBFHGGJFSA-N 1 2 339.403 0.178 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C(F)F)nc2)[C@@H](n2ccnn2)C1 ZINC001069942248 790218207 /nfs/dbraw/zinc/21/82/07/790218207.db2.gz SUDYSLFJKMQLTN-KGLIPLIRSA-N 1 2 346.341 0.899 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C(F)F)nc2)[C@@H](n2ccnn2)C1 ZINC001069942248 790218210 /nfs/dbraw/zinc/21/82/10/790218210.db2.gz SUDYSLFJKMQLTN-KGLIPLIRSA-N 1 2 346.341 0.899 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2nccc3cccnc32)[C@@H](n2ccnn2)C1 ZINC001069947169 790226758 /nfs/dbraw/zinc/22/67/58/790226758.db2.gz OAIMTXXMHRSWJD-CABCVRRESA-N 1 2 347.382 0.510 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2nccc3cccnc32)[C@@H](n2ccnn2)C1 ZINC001069947169 790226764 /nfs/dbraw/zinc/22/67/64/790226764.db2.gz OAIMTXXMHRSWJD-CABCVRRESA-N 1 2 347.382 0.510 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2CCC)[C@@H](n2ccnn2)C1 ZINC001069968342 790255737 /nfs/dbraw/zinc/25/57/37/790255737.db2.gz UWUDZEVNGPHDCL-ZBFHGGJFSA-N 1 2 341.419 0.253 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2CCC)[C@@H](n2ccnn2)C1 ZINC001069968342 790255742 /nfs/dbraw/zinc/25/57/42/790255742.db2.gz UWUDZEVNGPHDCL-ZBFHGGJFSA-N 1 2 341.419 0.253 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2CC)[C@@H](n2ccnn2)C1 ZINC001069968414 790256187 /nfs/dbraw/zinc/25/61/87/790256187.db2.gz YHYKUHQRAONJGO-ZBFHGGJFSA-N 1 2 341.419 0.253 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2CC)[C@@H](n2ccnn2)C1 ZINC001069968414 790256193 /nfs/dbraw/zinc/25/61/93/790256193.db2.gz YHYKUHQRAONJGO-ZBFHGGJFSA-N 1 2 341.419 0.253 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cncc3[nH]ccc32)[C@@H](n2ccnn2)C1 ZINC001069969444 790257598 /nfs/dbraw/zinc/25/75/98/790257598.db2.gz WHKFKWVGMAOTJF-SJORKVTESA-N 1 2 349.398 0.833 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cncc3[nH]ccc32)[C@@H](n2ccnn2)C1 ZINC001069969444 790257601 /nfs/dbraw/zinc/25/76/01/790257601.db2.gz WHKFKWVGMAOTJF-SJORKVTESA-N 1 2 349.398 0.833 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1COC2(CN(C(=O)C#CC(C)C)C2)C1 ZINC001068939733 791467063 /nfs/dbraw/zinc/46/70/63/791467063.db2.gz HBUDPQSORLYPAT-CQSZACIVSA-N 1 2 344.415 0.406 20 30 ECEDLO N#Cc1cncc(N2CC[NH+]([C@@H]3CCN(C(=O)C4CC4)C3)CC2)n1 ZINC001066693554 792006869 /nfs/dbraw/zinc/00/68/69/792006869.db2.gz BKFXRMGEDGHBKO-OAHLLOKOSA-N 1 2 326.404 0.481 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(c3ncc(F)cn3)CC2)C1 ZINC001066697797 792014533 /nfs/dbraw/zinc/01/45/33/792014533.db2.gz CUSSAQBNKRKJME-OCCSQVGLSA-N 1 2 332.383 0.498 20 30 ECEDLO COCC(=O)N1CC[C@H]([NH+]2CCN(c3nc(C)cc(C#N)n3)CC2)C1 ZINC001066697799 792015916 /nfs/dbraw/zinc/01/59/16/792015916.db2.gz CXUAOWJVMPXNLI-HNNXBMFYSA-N 1 2 344.419 0.026 20 30 ECEDLO Cc1cc(C)nc(N2CC[NH+]([C@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)n1 ZINC001066698215 792016959 /nfs/dbraw/zinc/01/69/59/792016959.db2.gz IVWHTMKGDUOZRL-BBRMVZONSA-N 1 2 342.447 0.976 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC001066698269 792017570 /nfs/dbraw/zinc/01/75/70/792017570.db2.gz JODJHFURWGXNOP-GDBMZVCRSA-N 1 2 338.415 0.836 20 30 ECEDLO N#Cc1nccc(N2CCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)n1 ZINC001066793531 792174536 /nfs/dbraw/zinc/17/45/36/792174536.db2.gz IOXBSJNWROFWFQ-GFCCVEGCSA-N 1 2 325.376 0.789 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1)c1ccc(C#N)nn1 ZINC001067749532 792224012 /nfs/dbraw/zinc/22/40/12/792224012.db2.gz STFVEZSNYFUKPI-CABCVRRESA-N 1 2 344.419 0.106 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccc(C#N)nn1 ZINC001067749532 792224022 /nfs/dbraw/zinc/22/40/22/792224022.db2.gz STFVEZSNYFUKPI-CABCVRRESA-N 1 2 344.419 0.106 20 30 ECEDLO N#Cc1nccc(N[C@@]2(CO)CCCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC001066908587 792350045 /nfs/dbraw/zinc/35/00/45/792350045.db2.gz IHWFMNBXQPZVMZ-INIZCTEOSA-N 1 2 341.375 0.010 20 30 ECEDLO N#Cc1ccc(N[C@]2(CO)CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)cn1 ZINC001066923715 792394947 /nfs/dbraw/zinc/39/49/47/792394947.db2.gz RZKTXIIOCLLYOX-QGZVFWFLSA-N 1 2 340.387 0.684 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)CC[C@@H]1C ZINC001067963891 792514351 /nfs/dbraw/zinc/51/43/51/792514351.db2.gz WAHVRQLQNCFUKV-SMDDNHRTSA-N 1 2 339.403 0.954 20 30 ECEDLO C[C@@H]1CCN(c2cncc(C#N)n2)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067964523 792515157 /nfs/dbraw/zinc/51/51/57/792515157.db2.gz FFQOACYZKKGFQX-OCCSQVGLSA-N 1 2 325.376 0.576 20 30 ECEDLO C[C@H]1CCN(c2cncc(C#N)n2)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067964522 792515439 /nfs/dbraw/zinc/51/54/39/792515439.db2.gz FFQOACYZKKGFQX-JSGCOSHPSA-N 1 2 325.376 0.576 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[C@H](C)[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001067966862 792519996 /nfs/dbraw/zinc/51/99/96/792519996.db2.gz FYIGPNTXLFJRGD-SMDDNHRTSA-N 1 2 339.403 0.954 20 30 ECEDLO C[C@@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067994706 792554878 /nfs/dbraw/zinc/55/48/78/792554878.db2.gz YLHIBCPPEKNJCJ-RISCZKNCSA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1Nc1ccc(C#N)nn1 ZINC001067123579 792721372 /nfs/dbraw/zinc/72/13/72/792721372.db2.gz WDAVILJGVYUFCU-RISCZKNCSA-N 1 2 325.376 0.583 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1Nc1cnc(C#N)cn1 ZINC001067129174 792730329 /nfs/dbraw/zinc/73/03/29/792730329.db2.gz OZZAQNIOCWQYPJ-SWLSCSKDSA-N 1 2 339.403 0.973 20 30 ECEDLO C[C@@H](Nc1ccc(C#N)cn1)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001068236277 792894171 /nfs/dbraw/zinc/89/41/71/792894171.db2.gz GEZBCXLMPNQERP-TZMCWYRMSA-N 1 2 340.387 0.947 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067403944 793106771 /nfs/dbraw/zinc/10/67/71/793106771.db2.gz UBTSPBYRFURZLS-OLZOCXBDSA-N 1 2 325.376 0.576 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1C ZINC001067407189 793110094 /nfs/dbraw/zinc/11/00/94/793110094.db2.gz CNFXTTVTNIFYLQ-AAEUAGOBSA-N 1 2 339.403 0.954 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1C ZINC001067407694 793112821 /nfs/dbraw/zinc/11/28/21/793112821.db2.gz KBJDXYVWJNYFNI-SMDDNHRTSA-N 1 2 339.403 0.954 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1C ZINC001067408275 793114728 /nfs/dbraw/zinc/11/47/28/793114728.db2.gz RIDCTOVWPDPVDA-SMDDNHRTSA-N 1 2 339.403 0.954 20 30 ECEDLO C#CCOCCC(=O)N(C)CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001067425359 793136677 /nfs/dbraw/zinc/13/66/77/793136677.db2.gz FUSRMNVWZPKOJS-UHFFFAOYSA-N 1 2 334.420 0.309 20 30 ECEDLO C[C@@H]1CN(c2ccnc(C#N)n2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067439726 793161823 /nfs/dbraw/zinc/16/18/23/793161823.db2.gz FUPZVJPTWJUFPP-DGCLKSJQSA-N 1 2 325.376 0.645 20 30 ECEDLO CCCN(C(=O)CCC(F)F)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267542964 837730405 /nfs/dbraw/zinc/73/04/05/837730405.db2.gz BLVUMQRRIGTRDS-GFCCVEGCSA-N 1 2 330.379 0.984 20 30 ECEDLO CCCN(C(=O)CCC(F)F)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267542964 837730411 /nfs/dbraw/zinc/73/04/11/837730411.db2.gz BLVUMQRRIGTRDS-GFCCVEGCSA-N 1 2 330.379 0.984 20 30 ECEDLO C=CCN1CC[NH+](CCN(C)C(=O)[C@@H]2CC(=O)N(CCC)C2)CC1 ZINC001267576339 837830151 /nfs/dbraw/zinc/83/01/51/837830151.db2.gz WFHRQZJKFZZWBS-MRXNPFEDSA-N 1 2 336.480 0.507 20 30 ECEDLO C=CCN1CC[NH+](CCN(C)C(=O)[C@H]2CCc3nnc(C)n3C2)CC1 ZINC001267577562 837834877 /nfs/dbraw/zinc/83/48/77/837834877.db2.gz PMRLCRJKZCZRQR-INIZCTEOSA-N 1 2 346.479 0.411 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)Cc2csc(C)n2)C1 ZINC001266248409 835554109 /nfs/dbraw/zinc/55/41/09/835554109.db2.gz LLDUGEACWGUWQM-ZDUSSCGKSA-N 1 2 334.445 0.324 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cc2csc(C)n2)C1 ZINC001266248409 835554116 /nfs/dbraw/zinc/55/41/16/835554116.db2.gz LLDUGEACWGUWQM-ZDUSSCGKSA-N 1 2 334.445 0.324 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(CCNC(=O)CC(C)(C)C)CC1 ZINC001266279333 835606533 /nfs/dbraw/zinc/60/65/33/835606533.db2.gz MHGMEPRWEDUZAI-OAHLLOKOSA-N 1 2 338.496 0.847 20 30 ECEDLO C[N@H+](CCNC(=O)c1cc(C2CCCCC2)n[nH]1)CC(=O)NCC#N ZINC001266282951 835612293 /nfs/dbraw/zinc/61/22/93/835612293.db2.gz YHUHDTVBRYQGSD-UHFFFAOYSA-N 1 2 346.435 0.759 20 30 ECEDLO C[N@@H+](CCNC(=O)c1cc(C2CCCCC2)n[nH]1)CC(=O)NCC#N ZINC001266282951 835612298 /nfs/dbraw/zinc/61/22/98/835612298.db2.gz YHUHDTVBRYQGSD-UHFFFAOYSA-N 1 2 346.435 0.759 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCC[NH+]1CCN([C@H](C)c2cnccn2)CC1 ZINC001266283128 835613204 /nfs/dbraw/zinc/61/32/04/835613204.db2.gz FPTYKBPYZKCPPD-QAPCUYQASA-N 1 2 347.463 0.599 20 30 ECEDLO C=CC(C)(C)CC(=O)NCC[NH+]1CCN(Cc2cn(C)nn2)CC1 ZINC001266285490 835620195 /nfs/dbraw/zinc/62/01/95/835620195.db2.gz BATDQSDDDPRYCB-UHFFFAOYSA-N 1 2 334.468 0.651 20 30 ECEDLO N#CCN1CC[NH+](CCNC(=O)[C@@H]2CCCc3cccnc32)CC1 ZINC001266290371 835634361 /nfs/dbraw/zinc/63/43/61/835634361.db2.gz XKJBQDDNLZQKFU-MRXNPFEDSA-N 1 2 327.432 0.759 20 30 ECEDLO Cc1cc(C)n([C@H](C)CC(=O)NCC[NH+]2CCN(CC#N)CC2)n1 ZINC001266297714 835648503 /nfs/dbraw/zinc/64/85/03/835648503.db2.gz UDRIAOBENMCHPF-MRXNPFEDSA-N 1 2 332.452 0.708 20 30 ECEDLO CN(C)C(=O)c1cccc(C(=O)NCC[NH+]2CCN(CC#N)CC2)c1 ZINC001266297852 835649255 /nfs/dbraw/zinc/64/92/55/835649255.db2.gz VVXALIZYAIXWHM-UHFFFAOYSA-N 1 2 343.431 0.259 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC001266321284 835694225 /nfs/dbraw/zinc/69/42/25/835694225.db2.gz NWTPDPBZFRVCJN-HNNXBMFYSA-N 1 2 342.443 0.933 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC001266321284 835694229 /nfs/dbraw/zinc/69/42/29/835694229.db2.gz NWTPDPBZFRVCJN-HNNXBMFYSA-N 1 2 342.443 0.933 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c3ccccc23)C1 ZINC001266327476 835708552 /nfs/dbraw/zinc/70/85/52/835708552.db2.gz GEDGUCLVYHZIQB-AWEZNQCLSA-N 1 2 338.411 0.732 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)c3ccccc23)C1 ZINC001266327476 835708557 /nfs/dbraw/zinc/70/85/57/835708557.db2.gz GEDGUCLVYHZIQB-AWEZNQCLSA-N 1 2 338.411 0.732 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cc(C)c(C)cn2)C1 ZINC001266330718 835712597 /nfs/dbraw/zinc/71/25/97/835712597.db2.gz HZRFHRMOUXRDFK-GJZGRUSLSA-N 1 2 328.416 0.640 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cc(C)c(C)cn2)C1 ZINC001266330718 835712602 /nfs/dbraw/zinc/71/26/02/835712602.db2.gz HZRFHRMOUXRDFK-GJZGRUSLSA-N 1 2 328.416 0.640 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccnc3[nH]c(C)nc32)C1 ZINC001266331623 835713568 /nfs/dbraw/zinc/71/35/68/835713568.db2.gz SDGNFWXKJVNGAD-GFCCVEGCSA-N 1 2 342.403 0.373 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccnc3[nH]c(C)nc32)C1 ZINC001266331623 835713574 /nfs/dbraw/zinc/71/35/74/835713574.db2.gz SDGNFWXKJVNGAD-GFCCVEGCSA-N 1 2 342.403 0.373 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCOc2ccc(F)cc2)C1 ZINC001266338766 835722923 /nfs/dbraw/zinc/72/29/23/835722923.db2.gz CEPOERKJTAZZOG-HNNXBMFYSA-N 1 2 347.390 0.535 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCOc2ccc(F)cc2)C1 ZINC001266338766 835722929 /nfs/dbraw/zinc/72/29/29/835722929.db2.gz CEPOERKJTAZZOG-HNNXBMFYSA-N 1 2 347.390 0.535 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC(=O)NCC(F)(F)F)C1 ZINC001266350766 835747834 /nfs/dbraw/zinc/74/78/34/835747834.db2.gz XWAFMRRJURIIOX-VIFPVBQESA-N 1 2 327.734 0.998 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC(=O)NCC(F)(F)F)C1 ZINC001266350766 835747840 /nfs/dbraw/zinc/74/78/40/835747840.db2.gz XWAFMRRJURIIOX-VIFPVBQESA-N 1 2 327.734 0.998 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccnc(OC(C)C)c2)C1 ZINC001266352477 835752340 /nfs/dbraw/zinc/75/23/40/835752340.db2.gz BYSCYGXHQQDUQU-OAHLLOKOSA-N 1 2 344.415 0.422 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccnc(OC(C)C)c2)C1 ZINC001266352477 835752347 /nfs/dbraw/zinc/75/23/47/835752347.db2.gz BYSCYGXHQQDUQU-OAHLLOKOSA-N 1 2 344.415 0.422 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2ccc(C)s2)C1 ZINC001266364117 835775970 /nfs/dbraw/zinc/77/59/70/835775970.db2.gz RNLSQNZDIRCGPE-CQSZACIVSA-N 1 2 333.457 0.929 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2ccc(C)s2)C1 ZINC001266364117 835775977 /nfs/dbraw/zinc/77/59/77/835775977.db2.gz RNLSQNZDIRCGPE-CQSZACIVSA-N 1 2 333.457 0.929 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NCCC)nn1 ZINC001266485614 835885456 /nfs/dbraw/zinc/88/54/56/835885456.db2.gz GECUWLTUNSDCML-ZDUSSCGKSA-N 1 2 334.424 0.185 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NCCC)nn1 ZINC001266485614 835885462 /nfs/dbraw/zinc/88/54/62/835885462.db2.gz GECUWLTUNSDCML-ZDUSSCGKSA-N 1 2 334.424 0.185 20 30 ECEDLO CCCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NCC#N)c(C)n1 ZINC001266486684 835886950 /nfs/dbraw/zinc/88/69/50/835886950.db2.gz QLPOVNUDYZEDSX-AWEZNQCLSA-N 1 2 346.435 0.436 20 30 ECEDLO CCCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NCC#N)c(C)n1 ZINC001266486684 835886957 /nfs/dbraw/zinc/88/69/57/835886957.db2.gz QLPOVNUDYZEDSX-AWEZNQCLSA-N 1 2 346.435 0.436 20 30 ECEDLO O=C(C#CC1CC1)NCCN1CCC([NH2+]Cc2cnsn2)CC1 ZINC001279430848 835970630 /nfs/dbraw/zinc/97/06/30/835970630.db2.gz ACWBGYMCRFDJSR-UHFFFAOYSA-N 1 2 333.461 0.622 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnsc2Cl)C1 ZINC001266685170 836139006 /nfs/dbraw/zinc/13/90/06/836139006.db2.gz AWUPKNPWDSIYCL-AOOOYVTPSA-N 1 2 328.825 0.968 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@H]1CCC[N@H+](Cc2nnnn2C2CC2)C1 ZINC001266750463 836239982 /nfs/dbraw/zinc/23/99/82/836239982.db2.gz XJCBPTLPATTXJB-CXAGYDPISA-N 1 2 348.451 0.663 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@H]1CCC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC001266750463 836239993 /nfs/dbraw/zinc/23/99/93/836239993.db2.gz XJCBPTLPATTXJB-CXAGYDPISA-N 1 2 348.451 0.663 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2nn(CC)nc2C)C1 ZINC001266749935 836241430 /nfs/dbraw/zinc/24/14/30/836241430.db2.gz OKUQVEZTEQTIGN-INIZCTEOSA-N 1 2 347.463 0.975 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H]1CCC[N@H+](Cc2nn(CC)nc2C)C1 ZINC001266749935 836241443 /nfs/dbraw/zinc/24/14/43/836241443.db2.gz OKUQVEZTEQTIGN-INIZCTEOSA-N 1 2 347.463 0.975 20 30 ECEDLO C=C[C@H](CC)CC(=O)N[C@@]1(CO)CCC[N@@H+](CC(=O)NCC)C1 ZINC001279510156 836293366 /nfs/dbraw/zinc/29/33/66/836293366.db2.gz WJKGHNHSVMUIJH-PBHICJAKSA-N 1 2 325.453 0.668 20 30 ECEDLO C=C[C@H](CC)CC(=O)N[C@@]1(CO)CCC[N@H+](CC(=O)NCC)C1 ZINC001279510156 836293378 /nfs/dbraw/zinc/29/33/78/836293378.db2.gz WJKGHNHSVMUIJH-PBHICJAKSA-N 1 2 325.453 0.668 20 30 ECEDLO CCOCCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)C#CC1CC1 ZINC001266841760 836367307 /nfs/dbraw/zinc/36/73/07/836367307.db2.gz BXJNMNVOFWAYAX-INIZCTEOSA-N 1 2 335.448 0.523 20 30 ECEDLO CCOCCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)C#CC1CC1 ZINC001266841760 836367314 /nfs/dbraw/zinc/36/73/14/836367314.db2.gz BXJNMNVOFWAYAX-INIZCTEOSA-N 1 2 335.448 0.523 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]nc1CCC ZINC001266845319 836373092 /nfs/dbraw/zinc/37/30/92/836373092.db2.gz WHFRDTSTKFGEPW-CQSZACIVSA-N 1 2 345.447 0.696 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]nc1CCC ZINC001266845319 836373096 /nfs/dbraw/zinc/37/30/96/836373096.db2.gz WHFRDTSTKFGEPW-CQSZACIVSA-N 1 2 345.447 0.696 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)C1(F)CCOCC1 ZINC001266845325 836373288 /nfs/dbraw/zinc/37/32/88/836373288.db2.gz WJZKVDAGOWMFAM-CQSZACIVSA-N 1 2 341.427 0.778 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1(F)CCOCC1 ZINC001266845325 836373299 /nfs/dbraw/zinc/37/32/99/836373299.db2.gz WJZKVDAGOWMFAM-CQSZACIVSA-N 1 2 341.427 0.778 20 30 ECEDLO CCCn1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=O)NCC#N)cn1 ZINC001266856764 836392850 /nfs/dbraw/zinc/39/28/50/836392850.db2.gz XXPAGELCZOWZKZ-HNNXBMFYSA-N 1 2 346.435 0.517 20 30 ECEDLO CCCn1cc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(=O)NCC#N)cn1 ZINC001266856764 836392859 /nfs/dbraw/zinc/39/28/59/836392859.db2.gz XXPAGELCZOWZKZ-HNNXBMFYSA-N 1 2 346.435 0.517 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(CC)nn1C ZINC001266857588 836394379 /nfs/dbraw/zinc/39/43/79/836394379.db2.gz NIGIIXHTIRNQEK-OAHLLOKOSA-N 1 2 347.463 0.869 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(CC)nn1C ZINC001266857588 836394385 /nfs/dbraw/zinc/39/43/85/836394385.db2.gz NIGIIXHTIRNQEK-OAHLLOKOSA-N 1 2 347.463 0.869 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC[C@H]([NH2+]Cc2nc(CC(=O)NC)no2)C1 ZINC001267011622 836610534 /nfs/dbraw/zinc/61/05/34/836610534.db2.gz YJWMUMNPWVRMQL-LBPRGKRZSA-N 1 2 349.435 0.651 20 30 ECEDLO C#CCOCCC(=O)NCC1(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001299162058 836715614 /nfs/dbraw/zinc/71/56/14/836715614.db2.gz NYUDCASUWKCAKG-CYBMUJFWSA-N 1 2 344.415 0.635 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1CC ZINC001267193841 836956827 /nfs/dbraw/zinc/95/68/27/836956827.db2.gz DXJYCOGJHWMPEC-HOTGVXAUSA-N 1 2 337.464 0.864 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CC ZINC001267193841 836956831 /nfs/dbraw/zinc/95/68/31/836956831.db2.gz DXJYCOGJHWMPEC-HOTGVXAUSA-N 1 2 337.464 0.864 20 30 ECEDLO C[N@H+](CCNC(=O)C#CC(C)(C)C)Cc1cc(=O)n2[nH]ccc2n1 ZINC001267194366 836957728 /nfs/dbraw/zinc/95/77/28/836957728.db2.gz NXKAFRVQRSGNGD-UHFFFAOYSA-N 1 2 329.404 0.620 20 30 ECEDLO C[N@@H+](CCNC(=O)C#CC(C)(C)C)Cc1cc(=O)n2[nH]ccc2n1 ZINC001267194366 836957737 /nfs/dbraw/zinc/95/77/37/836957737.db2.gz NXKAFRVQRSGNGD-UHFFFAOYSA-N 1 2 329.404 0.620 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)Cc1cccc(C(F)F)c1 ZINC001267206539 836989446 /nfs/dbraw/zinc/98/94/46/836989446.db2.gz FRFCRLHOZZBDPM-UHFFFAOYSA-N 1 2 337.370 0.964 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)Cc1cccc(C(F)F)c1 ZINC001267206539 836989450 /nfs/dbraw/zinc/98/94/50/836989450.db2.gz FRFCRLHOZZBDPM-UHFFFAOYSA-N 1 2 337.370 0.964 20 30 ECEDLO C=CC(C)(C)C(=O)NCC[N@@H+](C)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001267211501 836999687 /nfs/dbraw/zinc/99/96/87/836999687.db2.gz FXUWBVLMNKGLJX-OKILXGFUSA-N 1 2 325.453 0.882 20 30 ECEDLO C=CC(C)(C)C(=O)NCC[N@H+](C)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001267211501 836999695 /nfs/dbraw/zinc/99/96/95/836999695.db2.gz FXUWBVLMNKGLJX-OKILXGFUSA-N 1 2 325.453 0.882 20 30 ECEDLO C[N@H+](CCNC(=O)c1cc(F)cc(Cl)c1)CC(=O)NCC#N ZINC001267218935 837008693 /nfs/dbraw/zinc/00/86/93/837008693.db2.gz HLDKGGBMKNXKRG-UHFFFAOYSA-N 1 2 326.759 0.780 20 30 ECEDLO C[N@@H+](CCNC(=O)c1cc(F)cc(Cl)c1)CC(=O)NCC#N ZINC001267218935 837008702 /nfs/dbraw/zinc/00/87/02/837008702.db2.gz HLDKGGBMKNXKRG-UHFFFAOYSA-N 1 2 326.759 0.780 20 30 ECEDLO Cc1ccc(F)c(CC(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NCC#N)c1 ZINC001267281933 837130453 /nfs/dbraw/zinc/13/04/53/837130453.db2.gz SESWXVMLTWGEAB-HNNXBMFYSA-N 1 2 346.406 0.897 20 30 ECEDLO Cc1ccc(F)c(CC(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NCC#N)c1 ZINC001267281933 837130458 /nfs/dbraw/zinc/13/04/58/837130458.db2.gz SESWXVMLTWGEAB-HNNXBMFYSA-N 1 2 346.406 0.897 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H](C[N@H+](C)Cc2nc(N(C)C)no2)C1 ZINC001267583636 837852113 /nfs/dbraw/zinc/85/21/13/837852113.db2.gz UCVZGZCWKWLTCX-UONOGXRCSA-N 1 2 349.435 0.454 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H](C[N@@H+](C)Cc2nc(N(C)C)no2)C1 ZINC001267583636 837852125 /nfs/dbraw/zinc/85/21/25/837852125.db2.gz UCVZGZCWKWLTCX-UONOGXRCSA-N 1 2 349.435 0.454 20 30 ECEDLO COCC#CCN1CC[NH+](CCN(C)C(=O)[C@H](C)n2cccn2)CC1 ZINC001267605960 837944058 /nfs/dbraw/zinc/94/40/58/837944058.db2.gz JDIRYXSXXOGKHU-KRWDZBQOSA-N 1 2 347.463 0.170 20 30 ECEDLO C=CCOCC(=O)N(C)CC[NH+]1CCN(Cc2cnn(C)c2)CC1 ZINC001267606170 837946582 /nfs/dbraw/zinc/94/65/82/837946582.db2.gz PEEQAKBWLDEFIU-UHFFFAOYSA-N 1 2 335.452 0.199 20 30 ECEDLO C=CCOCC(=O)N(C)CCN1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001267606170 837946583 /nfs/dbraw/zinc/94/65/83/837946583.db2.gz PEEQAKBWLDEFIU-UHFFFAOYSA-N 1 2 335.452 0.199 20 30 ECEDLO CN(C)C(=O)C[NH+]1CCN(CCN(C)C(=O)C#CC(C)(C)C)CC1 ZINC001267607270 837949652 /nfs/dbraw/zinc/94/96/52/837949652.db2.gz BSWWBMHGNXENJO-UHFFFAOYSA-N 1 2 336.480 0.200 20 30 ECEDLO Cc1noc([C@@H](C)N2CC[NH+](CCN(C)C(=O)C#CC3CC3)CC2)n1 ZINC001267607316 837949803 /nfs/dbraw/zinc/94/98/03/837949803.db2.gz DMBQPVMCISHGGH-CQSZACIVSA-N 1 2 345.447 0.928 20 30 ECEDLO COCC#CCN1CC[NH+](CCN(C)C(=O)C2(CCF)CC2)CC1 ZINC001267609224 837965756 /nfs/dbraw/zinc/96/57/56/837965756.db2.gz SUKBPDKISSMXOI-UHFFFAOYSA-N 1 2 339.455 0.852 20 30 ECEDLO C=CCN1CC[NH+](CCN(C)C(=O)[C@@H]2CCC[C@H](C(N)=O)C2)CC1 ZINC001267612263 837979856 /nfs/dbraw/zinc/97/98/56/837979856.db2.gz CXCPPQHGKRXKNT-JKSUJKDBSA-N 1 2 336.480 0.540 20 30 ECEDLO C[C@@H](Oc1cccnc1)C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001267612698 837982213 /nfs/dbraw/zinc/98/22/13/837982213.db2.gz VDQBOQOLVFVTFU-OAHLLOKOSA-N 1 2 331.420 0.448 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cncc3[nH]ccc32)C1 ZINC001267615540 837995611 /nfs/dbraw/zinc/99/56/11/837995611.db2.gz CCLWBUJPEMYGRE-CYBMUJFWSA-N 1 2 339.399 0.507 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cncc3[nH]ccc32)C1 ZINC001267615540 837995616 /nfs/dbraw/zinc/99/56/16/837995616.db2.gz CCLWBUJPEMYGRE-CYBMUJFWSA-N 1 2 339.399 0.507 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)c1cccc2nccnc21 ZINC001267617556 838041279 /nfs/dbraw/zinc/04/12/79/838041279.db2.gz DBEWIHCRLFBZAO-UHFFFAOYSA-N 1 2 338.415 0.843 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2cn(C(C)(C)C)nn2)C1 ZINC001267627585 838078454 /nfs/dbraw/zinc/07/84/54/838078454.db2.gz AMGRZTWHDPPYLG-ZDUSSCGKSA-N 1 2 348.451 0.530 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2cn(C(C)(C)C)nn2)C1 ZINC001267627585 838078459 /nfs/dbraw/zinc/07/84/59/838078459.db2.gz AMGRZTWHDPPYLG-ZDUSSCGKSA-N 1 2 348.451 0.530 20 30 ECEDLO C=CCOCC[N@@H+]1CCC[C@H](NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001267628168 838081674 /nfs/dbraw/zinc/08/16/74/838081674.db2.gz UIQUQNCGUAVJBO-AWEZNQCLSA-N 1 2 330.450 0.204 20 30 ECEDLO C=CCOCC[N@H+]1CCC[C@H](NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001267628168 838081694 /nfs/dbraw/zinc/08/16/94/838081694.db2.gz UIQUQNCGUAVJBO-AWEZNQCLSA-N 1 2 330.450 0.204 20 30 ECEDLO Cc1cc(C)n(CCC(=O)N[C@H]2CCC[N@H+](CC(=O)NCC#N)C2)n1 ZINC001267628568 838083856 /nfs/dbraw/zinc/08/38/56/838083856.db2.gz AYEAAHDIEMQASQ-HNNXBMFYSA-N 1 2 346.435 0.110 20 30 ECEDLO Cc1cc(C)n(CCC(=O)N[C@H]2CCC[N@@H+](CC(=O)NCC#N)C2)n1 ZINC001267628568 838083867 /nfs/dbraw/zinc/08/38/67/838083867.db2.gz AYEAAHDIEMQASQ-HNNXBMFYSA-N 1 2 346.435 0.110 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@@H](C)SC)C1 ZINC001267673665 838219829 /nfs/dbraw/zinc/21/98/29/838219829.db2.gz FNRVTVFRTFZUHG-GHMZBOCLSA-N 1 2 342.465 0.186 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC1C[NH+](CC(=O)N2CCCCCCC2)C1 ZINC001267681435 838242019 /nfs/dbraw/zinc/24/20/19/838242019.db2.gz MWCBYDSIFMUBHV-INIZCTEOSA-N 1 2 349.475 0.865 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)C[C@@H]2Cc3ccccc3O2)C1 ZINC001267684084 838246109 /nfs/dbraw/zinc/24/61/09/838246109.db2.gz SLUDWKSDNRUJJD-INIZCTEOSA-N 1 2 341.411 0.178 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2cn3c(n2)CCCC3)C1 ZINC001267684495 838246546 /nfs/dbraw/zinc/24/65/46/838246546.db2.gz XRSVFIIAWNRUQJ-ZDUSSCGKSA-N 1 2 345.447 0.572 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2ccc3nc[nH]c3n2)C1 ZINC001267685283 838248488 /nfs/dbraw/zinc/24/84/88/838248488.db2.gz DSGAZJHYANJMMO-LLVKDONJSA-N 1 2 342.403 0.310 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC001267686943 838250544 /nfs/dbraw/zinc/25/05/44/838250544.db2.gz VSBFONDLGLIHTA-DYVFJYSZSA-N 1 2 341.411 0.176 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2c[nH]c3ccccc23)C1 ZINC001267688674 838253953 /nfs/dbraw/zinc/25/39/53/838253953.db2.gz RRXHQWJVQDCXIO-ZDUSSCGKSA-N 1 2 338.411 0.967 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)c2cc(F)ccc2Cl)C1 ZINC001267693325 838277053 /nfs/dbraw/zinc/27/70/53/838277053.db2.gz APWIHXVWXBTYFT-UHFFFAOYSA-N 1 2 337.782 0.890 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)CCc2c(C)noc2C)C1 ZINC001267699165 838293656 /nfs/dbraw/zinc/29/36/56/838293656.db2.gz VXUSKYAGVBVEIY-UHFFFAOYSA-N 1 2 332.404 0.021 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCNC(=O)C(C)(C)C ZINC001267710964 838325486 /nfs/dbraw/zinc/32/54/86/838325486.db2.gz FNMZTVCHODUSTC-HOTGVXAUSA-N 1 2 349.475 0.864 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCNC(=O)C(C)(C)C ZINC001267710964 838325490 /nfs/dbraw/zinc/32/54/90/838325490.db2.gz FNMZTVCHODUSTC-HOTGVXAUSA-N 1 2 349.475 0.864 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC001267723452 838381028 /nfs/dbraw/zinc/38/10/28/838381028.db2.gz CWEBXQCZEVGSJT-STQMWFEESA-N 1 2 345.447 0.649 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC001267723452 838381039 /nfs/dbraw/zinc/38/10/39/838381039.db2.gz CWEBXQCZEVGSJT-STQMWFEESA-N 1 2 345.447 0.649 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001267731457 838419338 /nfs/dbraw/zinc/41/93/38/838419338.db2.gz DBBDYJFEKRZODK-ZDUSSCGKSA-N 1 2 334.424 0.044 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001267731457 838419341 /nfs/dbraw/zinc/41/93/41/838419341.db2.gz DBBDYJFEKRZODK-ZDUSSCGKSA-N 1 2 334.424 0.044 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](OC)C2CCCCC2)C1 ZINC001267735527 838429783 /nfs/dbraw/zinc/42/97/83/838429783.db2.gz BNHUPTPXBNXJBW-DOTOQJQBSA-N 1 2 335.448 0.522 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](OC)C2CCCCC2)C1 ZINC001267735527 838429785 /nfs/dbraw/zinc/42/97/85/838429785.db2.gz BNHUPTPXBNXJBW-DOTOQJQBSA-N 1 2 335.448 0.522 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC2(C(F)(F)F)CC2)C1 ZINC001267744268 838448060 /nfs/dbraw/zinc/44/80/60/838448060.db2.gz LKMMLWAYEBYFJT-LLVKDONJSA-N 1 2 331.338 0.659 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC2(C(F)(F)F)CC2)C1 ZINC001267744268 838448063 /nfs/dbraw/zinc/44/80/63/838448063.db2.gz LKMMLWAYEBYFJT-LLVKDONJSA-N 1 2 331.338 0.659 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2coc(C(F)(F)F)n2)C1 ZINC001267745524 838449939 /nfs/dbraw/zinc/44/99/39/838449939.db2.gz UDPRTCLWJBZJOP-SECBINFHSA-N 1 2 346.309 0.800 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2coc(C(F)(F)F)n2)C1 ZINC001267745524 838449940 /nfs/dbraw/zinc/44/99/40/838449940.db2.gz UDPRTCLWJBZJOP-SECBINFHSA-N 1 2 346.309 0.800 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCCCC)C2)nc1 ZINC001267751472 838473907 /nfs/dbraw/zinc/47/39/07/838473907.db2.gz ADYBVJBDFBCGJM-OAHLLOKOSA-N 1 2 328.416 0.783 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCCCC)C2)nc1 ZINC001267751472 838473910 /nfs/dbraw/zinc/47/39/10/838473910.db2.gz ADYBVJBDFBCGJM-OAHLLOKOSA-N 1 2 328.416 0.783 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH]cnc32)C1 ZINC001267751360 838474012 /nfs/dbraw/zinc/47/40/12/838474012.db2.gz VTIKFENVOOEMHF-LLVKDONJSA-N 1 2 326.360 0.007 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH]cnc32)C1 ZINC001267751360 838474014 /nfs/dbraw/zinc/47/40/14/838474014.db2.gz VTIKFENVOOEMHF-LLVKDONJSA-N 1 2 326.360 0.007 20 30 ECEDLO CCN(C(=O)C[C@H]1CCCCO1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267785739 838561521 /nfs/dbraw/zinc/56/15/21/838561521.db2.gz QGMWLNBIPDEFQD-LSDHHAIUSA-N 1 2 336.436 0.508 20 30 ECEDLO CCN(C(=O)C[C@H]1CCCCO1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267785739 838561525 /nfs/dbraw/zinc/56/15/25/838561525.db2.gz QGMWLNBIPDEFQD-LSDHHAIUSA-N 1 2 336.436 0.508 20 30 ECEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267786336 838566854 /nfs/dbraw/zinc/56/68/54/838566854.db2.gz VMNWPNKDNNVRHI-CYBMUJFWSA-N 1 2 328.376 0.063 20 30 ECEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267786336 838566861 /nfs/dbraw/zinc/56/68/61/838566861.db2.gz VMNWPNKDNNVRHI-CYBMUJFWSA-N 1 2 328.376 0.063 20 30 ECEDLO C#CCOCCC(=O)N[C@@]1(C[NH2+]Cc2nnn(C)n2)CCCC[C@H]1C ZINC001267866017 838664752 /nfs/dbraw/zinc/66/47/52/838664752.db2.gz HLVRISCLPFGZED-RHSMWYFYSA-N 1 2 348.451 0.405 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)C3CC=CC3)C2)nn1 ZINC001105200011 838758664 /nfs/dbraw/zinc/75/86/64/838758664.db2.gz TWLYTUHGBPFRRC-UHFFFAOYSA-N 1 2 329.404 0.367 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C)nc2OC)C1 ZINC001267970499 838891576 /nfs/dbraw/zinc/89/15/76/838891576.db2.gz SMHXGCJKMKEBIX-CQSZACIVSA-N 1 2 344.415 0.342 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)nc2OC)C1 ZINC001267970499 838891592 /nfs/dbraw/zinc/89/15/92/838891592.db2.gz SMHXGCJKMKEBIX-CQSZACIVSA-N 1 2 344.415 0.342 20 30 ECEDLO C=CCOCC[N@@H+]1CCO[C@H](CNC(=O)C[C@@H]2CCCCO2)C1 ZINC001268021163 838996475 /nfs/dbraw/zinc/99/64/75/838996475.db2.gz PNAKTINPUXDXKX-JKSUJKDBSA-N 1 2 326.437 0.965 20 30 ECEDLO C=CCOCC[N@H+]1CCO[C@H](CNC(=O)C[C@@H]2CCCCO2)C1 ZINC001268021163 838996487 /nfs/dbraw/zinc/99/64/87/838996487.db2.gz PNAKTINPUXDXKX-JKSUJKDBSA-N 1 2 326.437 0.965 20 30 ECEDLO O=C(C#CC1CC1)NC[C@@H]1C[N@H+](Cc2ccc(CO)cc2)CCO1 ZINC001268021451 838997295 /nfs/dbraw/zinc/99/72/95/838997295.db2.gz GRRLRWHZOCOFIS-GOSISDBHSA-N 1 2 328.412 0.909 20 30 ECEDLO O=C(C#CC1CC1)NC[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)CCO1 ZINC001268021451 838997298 /nfs/dbraw/zinc/99/72/98/838997298.db2.gz GRRLRWHZOCOFIS-GOSISDBHSA-N 1 2 328.412 0.909 20 30 ECEDLO C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)c1cccc2nn[nH]c21 ZINC001268067038 839255904 /nfs/dbraw/zinc/25/59/04/839255904.db2.gz UPQOYBUZUWBGCC-LLVKDONJSA-N 1 2 330.392 0.310 20 30 ECEDLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427943398 210233670 /nfs/dbraw/zinc/23/36/70/210233670.db2.gz BDRCZRILSAQTFN-AWEZNQCLSA-N 1 2 349.391 0.766 20 30 ECEDLO COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000427419805 210197898 /nfs/dbraw/zinc/19/78/98/210197898.db2.gz HHURZNCWPULWLY-LBPRGKRZSA-N 1 2 346.387 0.030 20 30 ECEDLO COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000427419805 210197903 /nfs/dbraw/zinc/19/79/03/210197903.db2.gz HHURZNCWPULWLY-LBPRGKRZSA-N 1 2 346.387 0.030 20 30 ECEDLO COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000427059791 210178853 /nfs/dbraw/zinc/17/88/53/210178853.db2.gz CFFDKMOYZGFMJJ-LBPRGKRZSA-N 1 2 339.355 0.833 20 30 ECEDLO N#Cc1ccc2c(c1)N(C(=O)C(=O)N[C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000427057613 210177066 /nfs/dbraw/zinc/17/70/66/210177066.db2.gz SJANLZWETPLTRU-CQSZACIVSA-N 1 2 335.367 0.775 20 30 ECEDLO N#Cc1cc(NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)ccc1F ZINC000427042185 210176809 /nfs/dbraw/zinc/17/68/09/210176809.db2.gz XGGVIFNMYHZDDY-LBPRGKRZSA-N 1 2 327.319 0.964 20 30 ECEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000425293584 210035636 /nfs/dbraw/zinc/03/56/36/210035636.db2.gz KZJJETNOFFUVQC-KRWDZBQOSA-N 1 2 345.443 0.936 20 30 ECEDLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000187958060 236357950 /nfs/dbraw/zinc/35/79/50/236357950.db2.gz WZNLFNIYMPNECJ-JTQLQIEISA-N 1 2 345.371 0.524 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000264210514 201210630 /nfs/dbraw/zinc/21/06/30/201210630.db2.gz VUOADGWEMNHSGV-UHFFFAOYSA-N 1 2 331.391 0.652 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000264210514 201210634 /nfs/dbraw/zinc/21/06/34/201210634.db2.gz VUOADGWEMNHSGV-UHFFFAOYSA-N 1 2 331.391 0.652 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC2(Cl)Cl)CC1 ZINC000264937554 201213966 /nfs/dbraw/zinc/21/39/66/201213966.db2.gz VAZQZPBMHLWFGE-NSHDSACASA-N 1 2 332.231 0.464 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC2(Cl)Cl)CC1 ZINC000264937554 201213968 /nfs/dbraw/zinc/21/39/68/201213968.db2.gz VAZQZPBMHLWFGE-NSHDSACASA-N 1 2 332.231 0.464 20 30 ECEDLO C=CC[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC)C1CC1 ZINC000271403308 201242465 /nfs/dbraw/zinc/24/24/65/201242465.db2.gz LWEBPKNWMJTTAO-UHFFFAOYSA-N 1 2 339.417 0.932 20 30 ECEDLO C=CC[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC)C1CC1 ZINC000271403308 201242468 /nfs/dbraw/zinc/24/24/68/201242468.db2.gz LWEBPKNWMJTTAO-UHFFFAOYSA-N 1 2 339.417 0.932 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000277805885 201307562 /nfs/dbraw/zinc/30/75/62/201307562.db2.gz PQRGJHFMCQKFON-VXGBXAGGSA-N 1 2 331.438 0.286 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000277805885 201307565 /nfs/dbraw/zinc/30/75/65/201307565.db2.gz PQRGJHFMCQKFON-VXGBXAGGSA-N 1 2 331.438 0.286 20 30 ECEDLO COC(=O)CCNC(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554778 204010614 /nfs/dbraw/zinc/01/06/14/204010614.db2.gz OWYZOJLDOWZPQT-UHFFFAOYSA-N 1 2 330.388 0.360 20 30 ECEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC000106463202 204196869 /nfs/dbraw/zinc/19/68/69/204196869.db2.gz XCLXVVTXXNVHDZ-HUUCEWRRSA-N 1 2 342.447 0.975 20 30 ECEDLO Cc1cccc(NC(=O)C(=O)N(C)CC[NH+]2CCOCC2)c1C#N ZINC000128953805 205171847 /nfs/dbraw/zinc/17/18/47/205171847.db2.gz UTIDWZXGWDBQLN-UHFFFAOYSA-N 1 2 330.388 0.596 20 30 ECEDLO COCCO[C@@H]1C[C@H](CO)C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000447404789 211188395 /nfs/dbraw/zinc/18/83/95/211188395.db2.gz UVTZPJAPPPXFCF-UAGQMJEPSA-N 1 2 347.415 0.430 20 30 ECEDLO COCCO[C@@H]1C[C@H](CO)C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000447404789 211188399 /nfs/dbraw/zinc/18/83/99/211188399.db2.gz UVTZPJAPPPXFCF-UAGQMJEPSA-N 1 2 347.415 0.430 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)CN1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000374531505 285038502 /nfs/dbraw/zinc/03/85/02/285038502.db2.gz UMZOYBSCPHPKFS-HZPDHXFCSA-N 1 2 349.479 0.281 20 30 ECEDLO Cc1cc(N(C)C[C@H](O)C[NH+]2CCOCC2)c(C#N)cc1[N+](=O)[O-] ZINC000413184662 208294944 /nfs/dbraw/zinc/29/49/44/208294944.db2.gz YTZVCGUVZYIDCA-AWEZNQCLSA-N 1 2 334.376 0.904 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1COC(=O)NCC ZINC000495813025 255045911 /nfs/dbraw/zinc/04/59/11/255045911.db2.gz DMOMGZXTEYOWKU-GFCCVEGCSA-N 1 2 326.397 0.599 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1COC(=O)NCC ZINC000495813025 255045912 /nfs/dbraw/zinc/04/59/12/255045912.db2.gz DMOMGZXTEYOWKU-GFCCVEGCSA-N 1 2 326.397 0.599 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496419224 255098527 /nfs/dbraw/zinc/09/85/27/255098527.db2.gz PYXJESHYCZCBTA-SUMWQHHRSA-N 1 2 341.452 0.981 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496419224 255098528 /nfs/dbraw/zinc/09/85/28/255098528.db2.gz PYXJESHYCZCBTA-SUMWQHHRSA-N 1 2 341.452 0.981 20 30 ECEDLO C[N@@H+]1CCN(S(=O)(=O)CCC#N)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496976526 255147052 /nfs/dbraw/zinc/14/70/52/255147052.db2.gz WMFAYZZBSJFOTD-GFCCVEGCSA-N 1 2 346.453 0.371 20 30 ECEDLO C[N@H+]1CCN(S(=O)(=O)CCC#N)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496976526 255147054 /nfs/dbraw/zinc/14/70/54/255147054.db2.gz WMFAYZZBSJFOTD-GFCCVEGCSA-N 1 2 346.453 0.371 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccoc2Br)C1 ZINC001077953495 782005775 /nfs/dbraw/zinc/00/57/75/782005775.db2.gz FKRGVGUZIICJGI-GHMZBOCLSA-N 1 2 327.178 0.840 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccoc2Br)C1 ZINC001077953495 782005783 /nfs/dbraw/zinc/00/57/83/782005783.db2.gz FKRGVGUZIICJGI-GHMZBOCLSA-N 1 2 327.178 0.840 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC[N@@H+]1CCO ZINC000188718496 263162094 /nfs/dbraw/zinc/16/20/94/263162094.db2.gz HLHWZCULARIQOV-SNVBAGLBSA-N 1 2 345.371 0.524 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC[N@H+]1CCO ZINC000188718496 263162095 /nfs/dbraw/zinc/16/20/95/263162095.db2.gz HLHWZCULARIQOV-SNVBAGLBSA-N 1 2 345.371 0.524 20 30 ECEDLO COCC(=O)N(C)CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000270259466 263230943 /nfs/dbraw/zinc/23/09/43/263230943.db2.gz XCZBUZCPQMKHCK-UHFFFAOYSA-N 1 2 344.415 0.307 20 30 ECEDLO CNS(=O)(=O)NC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000280724828 263945868 /nfs/dbraw/zinc/94/58/68/263945868.db2.gz CLUUNYIUYXKWHU-UHFFFAOYSA-N 1 2 326.397 0.716 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1cc(N)c([N+](=O)[O-])c(C#N)c1 ZINC000283788859 264151672 /nfs/dbraw/zinc/15/16/72/264151672.db2.gz RPFJRTJPXNFNPQ-ZDUSSCGKSA-N 1 2 335.364 0.178 20 30 ECEDLO CNS(=O)(=O)C1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000339497783 270006054 /nfs/dbraw/zinc/00/60/54/270006054.db2.gz IZYXACJARDHFFK-AWEZNQCLSA-N 1 2 336.417 0.098 20 30 ECEDLO CN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000347018126 266569072 /nfs/dbraw/zinc/56/90/72/266569072.db2.gz HLALPTTVSLWHNY-OAHLLOKOSA-N 1 2 337.383 0.844 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC000341894869 267066791 /nfs/dbraw/zinc/06/67/91/267066791.db2.gz JYTZOYBSDWKBHI-ZIAGYGMSSA-N 1 2 349.460 0.684 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC000341894869 267066794 /nfs/dbraw/zinc/06/67/94/267066794.db2.gz JYTZOYBSDWKBHI-ZIAGYGMSSA-N 1 2 349.460 0.684 20 30 ECEDLO C[C@H](CNS(=O)(=O)c1cncc(C#N)c1)C[NH+]1CCN(C)CC1 ZINC000289608290 267162417 /nfs/dbraw/zinc/16/24/17/267162417.db2.gz YFJFBGFAMNZJAQ-CYBMUJFWSA-N 1 2 337.449 0.115 20 30 ECEDLO C[C@H]1C[NH+](CCCNS(=O)(=O)c2ccc(C#N)o2)C[C@H](C)O1 ZINC000330677061 267230938 /nfs/dbraw/zinc/23/09/38/267230938.db2.gz USWFFRYRIWMLIN-RYUDHWBXSA-N 1 2 327.406 0.929 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1 ZINC000287911954 267314536 /nfs/dbraw/zinc/31/45/36/267314536.db2.gz PRMJEJBRUQSSBT-CQSZACIVSA-N 1 2 328.420 0.790 20 30 ECEDLO N#Cc1ccc(NC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)nc1 ZINC000339855531 268134644 /nfs/dbraw/zinc/13/46/44/268134644.db2.gz WIMJJFVMVWXFNG-UHFFFAOYSA-N 1 2 334.339 0.898 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](CC(N)=O)C2)nc1 ZINC000290269209 268188038 /nfs/dbraw/zinc/18/80/38/268188038.db2.gz LHHDXSHFXVAJKZ-GFCCVEGCSA-N 1 2 336.417 0.314 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](CC(N)=O)C2)nc1 ZINC000290269209 268188040 /nfs/dbraw/zinc/18/80/40/268188040.db2.gz LHHDXSHFXVAJKZ-GFCCVEGCSA-N 1 2 336.417 0.314 20 30 ECEDLO N#Cc1ccc2c(c1)N(C(=O)C(=O)N[C@@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000377901199 268220222 /nfs/dbraw/zinc/22/02/22/268220222.db2.gz CZQJDJKPWQCQOO-CYBMUJFWSA-N 1 2 335.367 0.844 20 30 ECEDLO N#Cc1ccc2c(c1)N(C(=O)C(=O)N[C@@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000377901199 268220225 /nfs/dbraw/zinc/22/02/25/268220225.db2.gz CZQJDJKPWQCQOO-CYBMUJFWSA-N 1 2 335.367 0.844 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1 ZINC000364953485 268275306 /nfs/dbraw/zinc/27/53/06/268275306.db2.gz HGUQPXPVCNSYKE-BPUTZDHNSA-N 1 2 347.440 0.918 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1 ZINC000364953485 268275310 /nfs/dbraw/zinc/27/53/10/268275310.db2.gz HGUQPXPVCNSYKE-BPUTZDHNSA-N 1 2 347.440 0.918 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C(C3CC3)C3CC3)C2)C1=O ZINC001077971669 782044590 /nfs/dbraw/zinc/04/45/90/782044590.db2.gz RKLLIAXDLVJYDY-OWCLPIDISA-N 1 2 347.459 0.371 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C(C3CC3)C3CC3)C2)C1=O ZINC001077971669 782044596 /nfs/dbraw/zinc/04/45/96/782044596.db2.gz RKLLIAXDLVJYDY-OWCLPIDISA-N 1 2 347.459 0.371 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccnc(C3CC3)c2)[C@@H](n2ccnn2)C1 ZINC001069970710 790260409 /nfs/dbraw/zinc/26/04/09/790260409.db2.gz WAVYSDQCTGLGFP-SJORKVTESA-N 1 2 336.399 0.839 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccnc(C3CC3)c2)[C@@H](n2ccnn2)C1 ZINC001069970710 790260413 /nfs/dbraw/zinc/26/04/13/790260413.db2.gz WAVYSDQCTGLGFP-SJORKVTESA-N 1 2 336.399 0.839 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3cnn(C)c3)o2)C1 ZINC001077972730 782047446 /nfs/dbraw/zinc/04/74/46/782047446.db2.gz OUJMAYLSSQVMTE-ZIAGYGMSSA-N 1 2 328.372 0.478 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3cnn(C)c3)o2)C1 ZINC001077972730 782047455 /nfs/dbraw/zinc/04/74/55/782047455.db2.gz OUJMAYLSSQVMTE-ZIAGYGMSSA-N 1 2 328.372 0.478 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc3nc[nH]c32)CC1 ZINC000159418952 275383431 /nfs/dbraw/zinc/38/34/31/275383431.db2.gz DCOCIUIMUWCDTG-UHFFFAOYSA-N 1 2 339.399 0.460 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc3nc[nH]c32)CC1 ZINC000159418952 275383432 /nfs/dbraw/zinc/38/34/32/275383432.db2.gz DCOCIUIMUWCDTG-UHFFFAOYSA-N 1 2 339.399 0.460 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3ncccc3C(N)=O)CC2)C1=O ZINC000282090734 276895822 /nfs/dbraw/zinc/89/58/22/276895822.db2.gz VEZGVPWIIRRMHF-CQSZACIVSA-N 1 2 329.404 0.089 20 30 ECEDLO CC(C)N1C[C@H](NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)CC1=O ZINC000329224966 279550887 /nfs/dbraw/zinc/55/08/87/279550887.db2.gz CTBREKVTRRFZRJ-RBSFLKMASA-N 1 2 338.452 0.705 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000416660030 297006942 /nfs/dbraw/zinc/00/69/42/297006942.db2.gz IDNHQXKFAFPZRE-NWDGAFQWSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000416660030 297006943 /nfs/dbraw/zinc/00/69/43/297006943.db2.gz IDNHQXKFAFPZRE-NWDGAFQWSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000408005845 298136523 /nfs/dbraw/zinc/13/65/23/298136523.db2.gz SUQOVAUFKLAVFC-VXGBXAGGSA-N 1 2 328.438 0.080 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000408005845 298136526 /nfs/dbraw/zinc/13/65/26/298136526.db2.gz SUQOVAUFKLAVFC-VXGBXAGGSA-N 1 2 328.438 0.080 20 30 ECEDLO CCN(CC)C(=O)C[NH+]1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000073022834 436066680 /nfs/dbraw/zinc/06/66/80/436066680.db2.gz RKVPVPJIUGGTSG-HNNXBMFYSA-N 1 2 337.468 0.233 20 30 ECEDLO CCN(CC)C(=O)CN1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000073022834 436066683 /nfs/dbraw/zinc/06/66/83/436066683.db2.gz RKVPVPJIUGGTSG-HNNXBMFYSA-N 1 2 337.468 0.233 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000024798481 436139872 /nfs/dbraw/zinc/13/98/72/436139872.db2.gz FDVWHKBLAJBCMX-CYBMUJFWSA-N 1 2 335.408 0.501 20 30 ECEDLO N#CCSCCC[NH+]1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000074991746 436147917 /nfs/dbraw/zinc/14/79/17/436147917.db2.gz CSZNXHYDVDGVBJ-UHFFFAOYSA-N 1 2 344.462 0.769 20 30 ECEDLO Cn1c(NCc2[nH+]ccn2CC(F)(F)F)c(C#N)c(=O)n(C)c1=O ZINC000075722576 436172731 /nfs/dbraw/zinc/17/27/31/436172731.db2.gz UIOQIQTUDYUGJJ-UHFFFAOYSA-N 1 2 342.281 0.327 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029444887 436202850 /nfs/dbraw/zinc/20/28/50/436202850.db2.gz XNJHEQWAKLSHIH-UHFFFAOYSA-N 1 2 328.376 0.087 20 30 ECEDLO C#CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2[nH+]ccn2C)cc1 ZINC000042062549 436295255 /nfs/dbraw/zinc/29/52/55/436295255.db2.gz ZCZAJDVVEMAJIJ-UHFFFAOYSA-N 1 2 346.412 0.604 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000044714748 436346017 /nfs/dbraw/zinc/34/60/17/436346017.db2.gz HVHPZUPRJUZYDA-CQSZACIVSA-N 1 2 326.404 0.836 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000081730251 436353996 /nfs/dbraw/zinc/35/39/96/436353996.db2.gz LRKALHNFEXTSQK-UHFFFAOYSA-N 1 2 343.431 0.667 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000081730251 436353999 /nfs/dbraw/zinc/35/39/99/436353999.db2.gz LRKALHNFEXTSQK-UHFFFAOYSA-N 1 2 343.431 0.667 20 30 ECEDLO C=CCNC(=O)[C@H](C)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000044741039 436346926 /nfs/dbraw/zinc/34/69/26/436346926.db2.gz GGSODFGVXHIHOZ-CVEARBPZSA-N 1 2 336.480 0.696 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000044741039 436346929 /nfs/dbraw/zinc/34/69/29/436346929.db2.gz GGSODFGVXHIHOZ-CVEARBPZSA-N 1 2 336.480 0.696 20 30 ECEDLO C#CCNC(=O)[C@H](C)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000044741465 436348049 /nfs/dbraw/zinc/34/80/49/436348049.db2.gz VTBKIZLEHJQPQR-HOTGVXAUSA-N 1 2 334.464 0.143 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000044741465 436348052 /nfs/dbraw/zinc/34/80/52/436348052.db2.gz VTBKIZLEHJQPQR-HOTGVXAUSA-N 1 2 334.464 0.143 20 30 ECEDLO C=CCNC(=O)NC(=O)CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000081010949 436334223 /nfs/dbraw/zinc/33/42/23/436334223.db2.gz QJMZOOVGQPAZKP-UHFFFAOYSA-N 1 2 332.404 0.522 20 30 ECEDLO C#CCOc1ccc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000082986012 436365378 /nfs/dbraw/zinc/36/53/78/436365378.db2.gz PRTZELWHODFOFI-INIZCTEOSA-N 1 2 332.400 0.464 20 30 ECEDLO COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000083128624 436368673 /nfs/dbraw/zinc/36/86/73/436368673.db2.gz KUMBWEUBDLGHDY-QGZVFWFLSA-N 1 2 344.415 0.478 20 30 ECEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(NC(N)=O)CC2)C1=O ZINC000083214258 436369418 /nfs/dbraw/zinc/36/94/18/436369418.db2.gz USUVUNWFLDWHKK-LBPRGKRZSA-N 1 2 333.417 0.858 20 30 ECEDLO C[C@H](NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000083559556 436373555 /nfs/dbraw/zinc/37/35/55/436373555.db2.gz KPLQXCWZRYGART-WMLDXEAASA-N 1 2 346.431 0.954 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2nc(C)cs2)CC1 ZINC000047891407 436433130 /nfs/dbraw/zinc/43/31/30/436433130.db2.gz DCTBLIBBGGHKLH-LBPRGKRZSA-N 1 2 337.449 0.974 20 30 ECEDLO CC[N@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)Cc1cnn(C)c1 ZINC000091553616 436452322 /nfs/dbraw/zinc/45/23/22/436452322.db2.gz ULGPHOBMMWQZER-QGZVFWFLSA-N 1 2 346.479 0.934 20 30 ECEDLO CC[N@@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)Cc1cnn(C)c1 ZINC000091553616 436452325 /nfs/dbraw/zinc/45/23/25/436452325.db2.gz ULGPHOBMMWQZER-QGZVFWFLSA-N 1 2 346.479 0.934 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)cc1 ZINC000048563000 436455367 /nfs/dbraw/zinc/45/53/67/436455367.db2.gz QEUGOEFHOUMHPA-MRXNPFEDSA-N 1 2 326.400 0.729 20 30 ECEDLO C=CCn1nnnc1SCC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000052895674 436518830 /nfs/dbraw/zinc/51/88/30/436518830.db2.gz OCUAILHMKCENLR-UHFFFAOYSA-N 1 2 340.453 0.178 20 30 ECEDLO CCNC(=O)C[N@H+](CC)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000092617013 436472873 /nfs/dbraw/zinc/47/28/73/436472873.db2.gz FLUBLWHTQCAJLX-HNNXBMFYSA-N 1 2 337.468 0.137 20 30 ECEDLO CCNC(=O)C[N@@H+](CC)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000092617013 436472877 /nfs/dbraw/zinc/47/28/77/436472877.db2.gz FLUBLWHTQCAJLX-HNNXBMFYSA-N 1 2 337.468 0.137 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2nc3ccccc3n2C)CC1 ZINC000101262887 436548501 /nfs/dbraw/zinc/54/85/01/436548501.db2.gz CEOSZSHUQJOCLR-UHFFFAOYSA-N 1 2 327.432 0.993 20 30 ECEDLO Cn1cc[nH+]c1CN1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 ZINC000106232966 436590582 /nfs/dbraw/zinc/59/05/82/436590582.db2.gz AXHVIEXQIDPPQE-UHFFFAOYSA-N 1 2 346.416 0.193 20 30 ECEDLO Cn1cc[nH+]c1CN1CCN(CC(=O)N(CCC#N)CCC#N)CC1 ZINC000106440770 436595260 /nfs/dbraw/zinc/59/52/60/436595260.db2.gz CNHDUUDKTUEJEH-UHFFFAOYSA-N 1 2 343.435 0.194 20 30 ECEDLO COC(=O)c1cccc(C[NH+]2CCC(S(N)(=O)=O)CC2)c1C#N ZINC000536385411 302136233 /nfs/dbraw/zinc/13/62/33/302136233.db2.gz HHPARIASPILNJY-UHFFFAOYSA-N 1 2 337.401 0.598 20 30 ECEDLO Cc1ccccc1[C@]1(C)NC(=O)N(C[C@H](O)C[N@H+](C)CCC#N)C1=O ZINC000414156364 302226688 /nfs/dbraw/zinc/22/66/88/302226688.db2.gz UUSQBGXHDZZVRY-KDOFPFPSSA-N 1 2 344.415 0.968 20 30 ECEDLO Cc1ccccc1[C@]1(C)NC(=O)N(C[C@H](O)C[N@@H+](C)CCC#N)C1=O ZINC000414156364 302226691 /nfs/dbraw/zinc/22/66/91/302226691.db2.gz UUSQBGXHDZZVRY-KDOFPFPSSA-N 1 2 344.415 0.968 20 30 ECEDLO COc1cc(C#N)ccc1NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000546001839 302242460 /nfs/dbraw/zinc/24/24/60/302242460.db2.gz LFDZITRJEROXBS-AWEZNQCLSA-N 1 2 348.403 0.724 20 30 ECEDLO COCCO[C@H]1CC[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000548684074 302320458 /nfs/dbraw/zinc/32/04/58/302320458.db2.gz OQYQWLQNZZYGKP-HOTGVXAUSA-N 1 2 343.383 0.927 20 30 ECEDLO COCCO[C@H]1CC[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000548684074 302320461 /nfs/dbraw/zinc/32/04/61/302320461.db2.gz OQYQWLQNZZYGKP-HOTGVXAUSA-N 1 2 343.383 0.927 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000272925192 436728582 /nfs/dbraw/zinc/72/85/82/436728582.db2.gz GJLFTDHJIOUKSG-UHFFFAOYSA-N 1 2 338.433 0.514 20 30 ECEDLO N#CCN1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000152728985 436738279 /nfs/dbraw/zinc/73/82/79/436738279.db2.gz UJXPKTLWVHPPIF-UHFFFAOYSA-N 1 2 328.416 0.800 20 30 ECEDLO CCS(=O)(=O)NCC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000068806871 436755137 /nfs/dbraw/zinc/75/51/37/436755137.db2.gz BPJDNQAVSIONLZ-UHFFFAOYSA-N 1 2 340.424 0.759 20 30 ECEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000125893287 436779095 /nfs/dbraw/zinc/77/90/95/436779095.db2.gz HHDKLBWVRLKODK-GWCFXTLKSA-N 1 2 327.381 0.695 20 30 ECEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000125893287 436779099 /nfs/dbraw/zinc/77/90/99/436779099.db2.gz HHDKLBWVRLKODK-GWCFXTLKSA-N 1 2 327.381 0.695 20 30 ECEDLO C[N@@H+]1CC[C@H](NC(=O)Cn2cnc(C#N)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000246971122 436787635 /nfs/dbraw/zinc/78/76/35/436787635.db2.gz IVQWXRDBHCODAY-XJKSGUPXSA-N 1 2 346.341 0.990 20 30 ECEDLO C[N@H+]1CC[C@H](NC(=O)Cn2cnc(C#N)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000246971122 436787638 /nfs/dbraw/zinc/78/76/38/436787638.db2.gz IVQWXRDBHCODAY-XJKSGUPXSA-N 1 2 346.341 0.990 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246996408 436788666 /nfs/dbraw/zinc/78/86/66/436788666.db2.gz GJDIEZNCMARIBV-QWHCGFSZSA-N 1 2 342.465 0.341 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246996408 436788669 /nfs/dbraw/zinc/78/86/69/436788669.db2.gz GJDIEZNCMARIBV-QWHCGFSZSA-N 1 2 342.465 0.341 20 30 ECEDLO CC#CCC[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000155095105 436790310 /nfs/dbraw/zinc/79/03/10/436790310.db2.gz KYOTYLLBAHDFME-HUUCEWRRSA-N 1 2 329.466 0.371 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000127355088 436800932 /nfs/dbraw/zinc/80/09/32/436800932.db2.gz JUEYEPUSMINLOJ-CQSZACIVSA-N 1 2 331.391 0.650 20 30 ECEDLO C#CC[NH+]1CCN(Cn2nnc(-c3ccc(OC)c(OC)c3)n2)CC1 ZINC000127535617 436802972 /nfs/dbraw/zinc/80/29/72/436802972.db2.gz LNXRBLVFNZJTQW-UHFFFAOYSA-N 1 2 342.403 0.566 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)CC1 ZINC000158117252 436839428 /nfs/dbraw/zinc/83/94/28/436839428.db2.gz CTHBZZINUKFJNB-BRWVUGGUSA-N 1 2 335.448 0.032 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)CC1 ZINC000158117252 436839434 /nfs/dbraw/zinc/83/94/34/436839434.db2.gz CTHBZZINUKFJNB-BRWVUGGUSA-N 1 2 335.448 0.032 20 30 ECEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000274613402 436852010 /nfs/dbraw/zinc/85/20/10/436852010.db2.gz PGPZXJKDRVDEJP-ZNMIVQPWSA-N 1 2 347.415 0.758 20 30 ECEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000274613402 436852012 /nfs/dbraw/zinc/85/20/12/436852012.db2.gz PGPZXJKDRVDEJP-ZNMIVQPWSA-N 1 2 347.415 0.758 20 30 ECEDLO N#Cc1ccc(CCC(=O)N(CCO)CC[NH+]2CCOCC2)cc1 ZINC000130323146 436835296 /nfs/dbraw/zinc/83/52/96/436835296.db2.gz WMELLGULULCNSI-UHFFFAOYSA-N 1 2 331.416 0.644 20 30 ECEDLO CC(C)(CNC(=O)C(=O)Nc1ccc(C#N)cc1F)[NH+]1CCOCC1 ZINC000135669998 436922405 /nfs/dbraw/zinc/92/24/05/436922405.db2.gz OJESGYTZFFPOLQ-UHFFFAOYSA-N 1 2 348.378 0.863 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135705256 436922627 /nfs/dbraw/zinc/92/26/27/436922627.db2.gz LHDQNJCCGCPODT-OAHLLOKOSA-N 1 2 341.477 0.687 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135705256 436922630 /nfs/dbraw/zinc/92/26/30/436922630.db2.gz LHDQNJCCGCPODT-OAHLLOKOSA-N 1 2 341.477 0.687 20 30 ECEDLO C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000160831782 436879831 /nfs/dbraw/zinc/87/98/31/436879831.db2.gz RICSFEDCKWHUFO-LLVKDONJSA-N 1 2 329.809 0.821 20 30 ECEDLO C[N@H+]1CCO[C@H](CNS(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000160831782 436879835 /nfs/dbraw/zinc/87/98/35/436879835.db2.gz RICSFEDCKWHUFO-LLVKDONJSA-N 1 2 329.809 0.821 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCn1ccccc1=O ZINC000162508819 436908974 /nfs/dbraw/zinc/90/89/74/436908974.db2.gz INLPTJQIZQDSOR-UHFFFAOYSA-N 1 2 332.404 0.313 20 30 ECEDLO C#CCCOc1ccc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000294877770 436962352 /nfs/dbraw/zinc/96/23/52/436962352.db2.gz IABVLXPADHVBKM-QGZVFWFLSA-N 1 2 346.427 0.854 20 30 ECEDLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC1 ZINC000275386502 436963633 /nfs/dbraw/zinc/96/36/33/436963633.db2.gz ACZNCCBMCBUVFV-CYBMUJFWSA-N 1 2 346.387 0.052 20 30 ECEDLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NS(=O)(=O)CCC#N ZINC000295620850 436975607 /nfs/dbraw/zinc/97/56/07/436975607.db2.gz OKRKMUASRUXNDE-AWEZNQCLSA-N 1 2 337.449 0.425 20 30 ECEDLO C#C[C@H](NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C(C)C ZINC000294082949 436933804 /nfs/dbraw/zinc/93/38/04/436933804.db2.gz BBHSWQIMBDCFJN-AWEZNQCLSA-N 1 2 341.419 0.853 20 30 ECEDLO CC#CC(=O)N1CC[NH+](CCNC(=O)c2ccc(OC)cc2)CC1 ZINC000283305537 437027772 /nfs/dbraw/zinc/02/77/72/437027772.db2.gz UQOGUIPABXUVJW-UHFFFAOYSA-N 1 2 329.400 0.593 20 30 ECEDLO COc1ccc(C#N)cc1NC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000275771155 437011868 /nfs/dbraw/zinc/01/18/68/437011868.db2.gz HYTRAUMXYBJTKZ-UHFFFAOYSA-N 1 2 346.387 0.296 20 30 ECEDLO CNC(=O)[C@@H](NC(=O)CO[NH+]=C(N)[C@H]1CCCO1)c1ccccc1 ZINC000284378332 437053234 /nfs/dbraw/zinc/05/32/34/437053234.db2.gz LWEDIOGFUZDCKP-OCCSQVGLSA-N 1 2 334.376 0.058 20 30 ECEDLO CN(C)C(=O)c1cccc(NC(=O)CO[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000284479562 437055185 /nfs/dbraw/zinc/05/51/85/437055185.db2.gz RRKIGFBLTNHYNB-CYBMUJFWSA-N 1 2 334.376 0.795 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000173541408 437055275 /nfs/dbraw/zinc/05/52/75/437055275.db2.gz GAKBCKGLCHDGKQ-OAHLLOKOSA-N 1 2 335.429 0.901 20 30 ECEDLO CSc1cccc(NC(=O)CO[NH+]=C(N)CN2CCOCC2)c1 ZINC000264735726 437074969 /nfs/dbraw/zinc/07/49/69/437074969.db2.gz SAKOZVPNBVYIMX-UHFFFAOYSA-N 1 2 338.433 0.968 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(F)ccc2O)CC1 ZINC000175221604 437097550 /nfs/dbraw/zinc/09/75/50/437097550.db2.gz NGWXPESVBNQAID-UHFFFAOYSA-N 1 2 333.363 0.429 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(F)ccc2O)CC1 ZINC000175221604 437097553 /nfs/dbraw/zinc/09/75/53/437097553.db2.gz NGWXPESVBNQAID-UHFFFAOYSA-N 1 2 333.363 0.429 20 30 ECEDLO COC(=O)c1ccc(CN(CCC#N)CC[NH+]2CCOCC2)nc1 ZINC000286499885 437093495 /nfs/dbraw/zinc/09/34/95/437093495.db2.gz RENILPBBAYVENP-UHFFFAOYSA-N 1 2 332.404 0.916 20 30 ECEDLO C#CCNc1nc(N(CCC)CCO)nc(N(CCC)CCO)[nH+]1 ZINC000286640529 437111246 /nfs/dbraw/zinc/11/12/46/437111246.db2.gz BVYCZRGEWUMIAK-UHFFFAOYSA-N 1 2 336.440 0.334 20 30 ECEDLO C#CCNc1nc(N(CCC)CCO)[nH+]c(N(CCC)CCO)n1 ZINC000286640529 437111250 /nfs/dbraw/zinc/11/12/50/437111250.db2.gz BVYCZRGEWUMIAK-UHFFFAOYSA-N 1 2 336.440 0.334 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000332120673 437207242 /nfs/dbraw/zinc/20/72/42/437207242.db2.gz HJWLCMBRLZZFOE-DZGCQCFKSA-N 1 2 344.481 0.365 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000332120673 437207245 /nfs/dbraw/zinc/20/72/45/437207245.db2.gz HJWLCMBRLZZFOE-DZGCQCFKSA-N 1 2 344.481 0.365 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000332120675 437208562 /nfs/dbraw/zinc/20/85/62/437208562.db2.gz HJWLCMBRLZZFOE-UKRRQHHQSA-N 1 2 344.481 0.365 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000332120675 437208568 /nfs/dbraw/zinc/20/85/68/437208568.db2.gz HJWLCMBRLZZFOE-UKRRQHHQSA-N 1 2 344.481 0.365 20 30 ECEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Cn2cnc(C#N)n2)CC1 ZINC000332252920 437210106 /nfs/dbraw/zinc/21/01/06/437210106.db2.gz DFEDODDNOMVHLD-CYBMUJFWSA-N 1 2 325.376 0.450 20 30 ECEDLO CN(C)C(=O)NCC[N@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000332360092 437215589 /nfs/dbraw/zinc/21/55/89/437215589.db2.gz JFXHMVKMFINKEO-GFCCVEGCSA-N 1 2 335.433 0.928 20 30 ECEDLO CN(C)C(=O)NCC[N@@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000332360092 437215593 /nfs/dbraw/zinc/21/55/93/437215593.db2.gz JFXHMVKMFINKEO-GFCCVEGCSA-N 1 2 335.433 0.928 20 30 ECEDLO C[N@H+](CCC(=O)N1CCCCC1)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000328832056 437268883 /nfs/dbraw/zinc/26/88/83/437268883.db2.gz LGSHFKVMKNLGDU-ZDUSSCGKSA-N 1 2 345.465 0.464 20 30 ECEDLO C[N@@H+](CCC(=O)N1CCCCC1)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000328832056 437268886 /nfs/dbraw/zinc/26/88/86/437268886.db2.gz LGSHFKVMKNLGDU-ZDUSSCGKSA-N 1 2 345.465 0.464 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1 ZINC000325831402 437232499 /nfs/dbraw/zinc/23/24/99/437232499.db2.gz VDKAPSXPUBVCGB-ZBFHGGJFSA-N 1 2 347.440 0.932 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1 ZINC000325831402 437232504 /nfs/dbraw/zinc/23/25/04/437232504.db2.gz VDKAPSXPUBVCGB-ZBFHGGJFSA-N 1 2 347.440 0.932 20 30 ECEDLO N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1Cl ZINC000178964750 437245054 /nfs/dbraw/zinc/24/50/54/437245054.db2.gz TZVKVGDIXMBVAC-CYBMUJFWSA-N 1 2 347.806 0.266 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H](OCCO)C2)c1 ZINC000179000722 437246274 /nfs/dbraw/zinc/24/62/74/437246274.db2.gz OKQKUOSKAIGACQ-HNNXBMFYSA-N 1 2 338.429 0.805 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](OCCO)C2)c1 ZINC000179000722 437246280 /nfs/dbraw/zinc/24/62/80/437246280.db2.gz OKQKUOSKAIGACQ-HNNXBMFYSA-N 1 2 338.429 0.805 20 30 ECEDLO C[S@](=O)C1(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000328754256 437259351 /nfs/dbraw/zinc/25/93/51/437259351.db2.gz SKLUGZBGYMVVFG-FATZIPQQSA-N 1 2 343.493 0.856 20 30 ECEDLO C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000266875717 437260609 /nfs/dbraw/zinc/26/06/09/437260609.db2.gz SXMLFYSPJZPIHW-ZDUSSCGKSA-N 1 2 343.431 0.767 20 30 ECEDLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000336894900 437305637 /nfs/dbraw/zinc/30/56/37/437305637.db2.gz XUCZDOIIVSPQNO-SMDDNHRTSA-N 1 2 342.355 0.949 20 30 ECEDLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000336894900 437305639 /nfs/dbraw/zinc/30/56/39/437305639.db2.gz XUCZDOIIVSPQNO-SMDDNHRTSA-N 1 2 342.355 0.949 20 30 ECEDLO C=CCNC(=O)CNC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000181245390 437315521 /nfs/dbraw/zinc/31/55/21/437315521.db2.gz DGHNMHZWYUPZPH-UHFFFAOYSA-N 1 2 337.449 0.663 20 30 ECEDLO C=CCNC(=O)CNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000181245390 437315525 /nfs/dbraw/zinc/31/55/25/437315525.db2.gz DGHNMHZWYUPZPH-UHFFFAOYSA-N 1 2 337.449 0.663 20 30 ECEDLO Cc1n[nH]c(C)c1NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000328843314 437271093 /nfs/dbraw/zinc/27/10/93/437271093.db2.gz QMDWHZMPJMOJAU-UHFFFAOYSA-N 1 2 333.396 1.213 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CNC(=O)NC3CCCCC3)C[C@@H]21 ZINC000328893611 437281243 /nfs/dbraw/zinc/28/12/43/437281243.db2.gz UMESOMALKXIVHD-LSDHHAIUSA-N 1 2 338.452 0.754 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)CNC(=O)NC3CCCCC3)C[C@@H]21 ZINC000328893611 437281249 /nfs/dbraw/zinc/28/12/49/437281249.db2.gz UMESOMALKXIVHD-LSDHHAIUSA-N 1 2 338.452 0.754 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000334010169 437293533 /nfs/dbraw/zinc/29/35/33/437293533.db2.gz FBCVAVDSGDQVBO-MGPQQGTHSA-N 1 2 325.409 0.250 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000334010169 437293536 /nfs/dbraw/zinc/29/35/36/437293536.db2.gz FBCVAVDSGDQVBO-MGPQQGTHSA-N 1 2 325.409 0.250 20 30 ECEDLO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1 ZINC000182402411 437348698 /nfs/dbraw/zinc/34/86/98/437348698.db2.gz UUXUMURTXXPJPT-MRXNPFEDSA-N 1 2 337.445 0.777 20 30 ECEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N1CCNC(=O)C1 ZINC000329420797 437368449 /nfs/dbraw/zinc/36/84/49/437368449.db2.gz HKULKTISGGENAZ-UHFFFAOYSA-N 1 2 337.424 0.117 20 30 ECEDLO CCOCCNC(=O)CO[NH+]=C(N)c1ccc(OC)c(OC)c1 ZINC000267735207 437330210 /nfs/dbraw/zinc/33/02/10/437330210.db2.gz IBEVYCSSURWISF-UHFFFAOYSA-N 1 2 325.365 0.493 20 30 ECEDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)ccc1C#N ZINC000278647541 437331108 /nfs/dbraw/zinc/33/11/08/437331108.db2.gz DTVKOQRFZZTONZ-UONOGXRCSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)ccc1C#N ZINC000278647541 437331112 /nfs/dbraw/zinc/33/11/12/437331112.db2.gz DTVKOQRFZZTONZ-UONOGXRCSA-N 1 2 337.445 0.942 20 30 ECEDLO C[C@H]([C@H](C)NC(=O)N1CCO[C@]2(CCCOC2)C1)[NH+]1CCOCC1 ZINC000329200864 437333853 /nfs/dbraw/zinc/33/38/53/437333853.db2.gz BPPLKVGEMROHFJ-ZMSDIMECSA-N 1 2 341.452 0.891 20 30 ECEDLO C[C@H](C#N)CN(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000338306737 437404355 /nfs/dbraw/zinc/40/43/55/437404355.db2.gz WLLRFJFSADFIOF-CABCVRRESA-N 1 2 348.447 0.318 20 30 ECEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000279428312 437408774 /nfs/dbraw/zinc/40/87/74/437408774.db2.gz JXOTZHNMVODTIL-CQSZACIVSA-N 1 2 344.415 0.984 20 30 ECEDLO CC[C@@H]1CN(C(=O)N[C@H]2CCCS(=O)(=O)C2)CC[N@@H+]1CCOC ZINC000329794964 437414818 /nfs/dbraw/zinc/41/48/18/437414818.db2.gz WFHDXGBBKQNNGO-UONOGXRCSA-N 1 2 347.481 0.520 20 30 ECEDLO CC[C@@H]1CN(C(=O)N[C@H]2CCCS(=O)(=O)C2)CC[N@H+]1CCOC ZINC000329794964 437414820 /nfs/dbraw/zinc/41/48/20/437414820.db2.gz WFHDXGBBKQNNGO-UONOGXRCSA-N 1 2 347.481 0.520 20 30 ECEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CC[C@@H](O)C3)ccn2)CC1 ZINC000329864678 437421949 /nfs/dbraw/zinc/42/19/49/437421949.db2.gz ZVYGNLVJXXKNDL-CYBMUJFWSA-N 1 2 333.392 0.081 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCCS2(=O)=O)[C@@H](C)C1 ZINC000329585333 437386742 /nfs/dbraw/zinc/38/67/42/437386742.db2.gz YCGXODLWDUSAQH-IHRRRGAJSA-N 1 2 347.481 0.255 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CCCCS2(=O)=O)[C@@H](C)C1 ZINC000329585333 437386747 /nfs/dbraw/zinc/38/67/47/437386747.db2.gz YCGXODLWDUSAQH-IHRRRGAJSA-N 1 2 347.481 0.255 20 30 ECEDLO C[C@H](NC(=O)C[N@H+](C)[C@]1(CO)CCOC1)C(=O)N1CCCCC1 ZINC000329613618 437391793 /nfs/dbraw/zinc/39/17/93/437391793.db2.gz DXDQMDLFIOCJHB-BBRMVZONSA-N 1 2 327.425 0.427 20 30 ECEDLO C[C@H](NC(=O)C[N@@H+](C)[C@]1(CO)CCOC1)C(=O)N1CCCCC1 ZINC000329613618 437391798 /nfs/dbraw/zinc/39/17/98/437391798.db2.gz DXDQMDLFIOCJHB-BBRMVZONSA-N 1 2 327.425 0.427 20 30 ECEDLO C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000329624992 437392376 /nfs/dbraw/zinc/39/23/76/437392376.db2.gz VCGCHQJXRBGLRQ-GPAUDHNESA-N 1 2 331.482 0.853 20 30 ECEDLO C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000329624992 437392378 /nfs/dbraw/zinc/39/23/78/437392378.db2.gz VCGCHQJXRBGLRQ-GPAUDHNESA-N 1 2 331.482 0.853 20 30 ECEDLO Cc1c(C#N)cccc1C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000338225401 437400328 /nfs/dbraw/zinc/40/03/28/437400328.db2.gz PIUMXUYNKPZVFW-AWEZNQCLSA-N 1 2 330.388 0.125 20 30 ECEDLO Cc1c(C#N)cccc1C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000338225401 437400331 /nfs/dbraw/zinc/40/03/31/437400331.db2.gz PIUMXUYNKPZVFW-AWEZNQCLSA-N 1 2 330.388 0.125 20 30 ECEDLO CCN1CCN(C([O-])=[NH+][C@@H]2CCc3ncnn3C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330282163 437479457 /nfs/dbraw/zinc/47/94/57/437479457.db2.gz AKQXQFFLGAPOOJ-CHWSQXEVSA-N 1 2 344.423 0.609 20 30 ECEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cccnc3-n3cncn3)C[C@H]21 ZINC000329925393 437432448 /nfs/dbraw/zinc/43/24/48/437432448.db2.gz JRVAYVMPKIBIAR-OLZOCXBDSA-N 1 2 329.364 0.223 20 30 ECEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cccnc3-n3cncn3)C[C@H]21 ZINC000329925393 437432451 /nfs/dbraw/zinc/43/24/51/437432451.db2.gz JRVAYVMPKIBIAR-OLZOCXBDSA-N 1 2 329.364 0.223 20 30 ECEDLO CNC(=O)N1CCN(C(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000329968164 437439739 /nfs/dbraw/zinc/43/97/39/437439739.db2.gz VYQJNVSTBRTIIX-UHFFFAOYSA-N 1 2 346.431 0.820 20 30 ECEDLO CCC(=O)N1CC[C@H](NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC000330003760 437444438 /nfs/dbraw/zinc/44/44/38/437444438.db2.gz ANGQAVZZGGGYCC-HNNXBMFYSA-N 1 2 348.451 0.463 20 30 ECEDLO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)N(CC)C[C@H](C)C#N)CC1 ZINC000330384731 437498505 /nfs/dbraw/zinc/49/85/05/437498505.db2.gz ZTYGOWOEVZSLPM-ZIAGYGMSSA-N 1 2 332.470 0.101 20 30 ECEDLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)CC2(C#N)CCCC2)CC1 ZINC000354046968 437511369 /nfs/dbraw/zinc/51/13/69/437511369.db2.gz HNUCMDWKVNNAHF-AWEZNQCLSA-N 1 2 329.466 0.789 20 30 ECEDLO C=C[C@H](CO)NC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000290876570 437538180 /nfs/dbraw/zinc/53/81/80/437538180.db2.gz CPNRNEMCYKDKSQ-MRXNPFEDSA-N 1 2 349.431 0.744 20 30 ECEDLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000188280547 437539521 /nfs/dbraw/zinc/53/95/21/437539521.db2.gz FEZQSVKEVCXDCR-LLVKDONJSA-N 1 2 343.836 0.899 20 30 ECEDLO C=CCCCNC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000339987548 437541477 /nfs/dbraw/zinc/54/14/77/437541477.db2.gz LDSPCKDZYSRBNY-OAHLLOKOSA-N 1 2 325.453 0.932 20 30 ECEDLO COCCC[N@H+](CCOC)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290464635 437490381 /nfs/dbraw/zinc/49/03/81/437490381.db2.gz WQZDZIVWZUFXGF-UHFFFAOYSA-N 1 2 341.433 0.712 20 30 ECEDLO COCCC[N@@H+](CCOC)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290464635 437490387 /nfs/dbraw/zinc/49/03/87/437490387.db2.gz WQZDZIVWZUFXGF-UHFFFAOYSA-N 1 2 341.433 0.712 20 30 ECEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1OC ZINC000330555423 437549804 /nfs/dbraw/zinc/54/98/04/437549804.db2.gz GTJSKQHFDJYFTA-FQUUOJAGSA-N 1 2 327.425 0.941 20 30 ECEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1OC ZINC000330555423 437549806 /nfs/dbraw/zinc/54/98/06/437549806.db2.gz GTJSKQHFDJYFTA-FQUUOJAGSA-N 1 2 327.425 0.941 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)CC[N@@H+]1CCO ZINC000188725840 437565298 /nfs/dbraw/zinc/56/52/98/437565298.db2.gz YXKDKWYTWXFAKX-NSHDSACASA-N 1 2 343.836 0.899 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)CC[N@H+]1CCO ZINC000188725840 437565301 /nfs/dbraw/zinc/56/53/01/437565301.db2.gz YXKDKWYTWXFAKX-NSHDSACASA-N 1 2 343.836 0.899 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000340103532 437572419 /nfs/dbraw/zinc/57/24/19/437572419.db2.gz SAHHFALXXCXMJL-OAHLLOKOSA-N 1 2 337.464 0.980 20 30 ECEDLO N#Cc1ccc(CC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000343397409 437574587 /nfs/dbraw/zinc/57/45/87/437574587.db2.gz CERYVSDMZNMVCB-UHFFFAOYSA-N 1 2 339.399 1.268 20 30 ECEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000188888990 437575467 /nfs/dbraw/zinc/57/54/67/437575467.db2.gz VTZBYVJCTSLAOX-UHFFFAOYSA-N 1 2 330.388 0.596 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)CN1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000330653756 437579778 /nfs/dbraw/zinc/57/97/78/437579778.db2.gz LKPPWJMNCZMHEQ-KRWDZBQOSA-N 1 2 332.452 0.592 20 30 ECEDLO C[C@H](O)CCNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330891835 437644360 /nfs/dbraw/zinc/64/43/60/437644360.db2.gz PSMMMCDAHQDFER-LBPRGKRZSA-N 1 2 335.408 0.566 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000355063367 437667465 /nfs/dbraw/zinc/66/74/65/437667465.db2.gz XOZCKFYXJCBBJQ-CYBMUJFWSA-N 1 2 333.388 0.783 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000355063367 437667470 /nfs/dbraw/zinc/66/74/70/437667470.db2.gz XOZCKFYXJCBBJQ-CYBMUJFWSA-N 1 2 333.388 0.783 20 30 ECEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)CCCCC1 ZINC000355080515 437669665 /nfs/dbraw/zinc/66/96/65/437669665.db2.gz LTYGWUKFIOMDCR-CQSZACIVSA-N 1 2 333.436 0.865 20 30 ECEDLO N#CC1(NC(=O)C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)CCCCC1 ZINC000355080515 437669676 /nfs/dbraw/zinc/66/96/76/437669676.db2.gz LTYGWUKFIOMDCR-CQSZACIVSA-N 1 2 333.436 0.865 20 30 ECEDLO CNc1nc(N2CCC(C#N)CC2)[nH+]c(N2CCC(C#N)CC2)n1 ZINC000343897169 437688049 /nfs/dbraw/zinc/68/80/49/437688049.db2.gz AFUCTXURXHEQRC-UHFFFAOYSA-N 1 2 326.408 0.815 20 30 ECEDLO CC(C)OC[C@H](CO)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343931969 437699721 /nfs/dbraw/zinc/69/97/21/437699721.db2.gz QJRQRPHLCVMGJN-AWEZNQCLSA-N 1 2 341.433 0.445 20 30 ECEDLO CC(C)OC[C@H](CO)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343931969 437699729 /nfs/dbraw/zinc/69/97/29/437699729.db2.gz QJRQRPHLCVMGJN-AWEZNQCLSA-N 1 2 341.433 0.445 20 30 ECEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC[NH+](CCCO)CC1 ZINC000361962225 437707534 /nfs/dbraw/zinc/70/75/34/437707534.db2.gz BUUMXCFEVURDJV-UHFFFAOYSA-N 1 2 339.417 0.256 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(OC)cc2O)CC1 ZINC000363017111 437765363 /nfs/dbraw/zinc/76/53/63/437765363.db2.gz MHGNWIMBVUVAFP-UHFFFAOYSA-N 1 2 345.399 0.298 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)CCO1 ZINC000331255734 437727143 /nfs/dbraw/zinc/72/71/43/437727143.db2.gz YUCSXMANIKVMRG-UPJWGTAASA-N 1 2 328.413 0.636 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)CCO1 ZINC000331255734 437727146 /nfs/dbraw/zinc/72/71/46/437727146.db2.gz YUCSXMANIKVMRG-UPJWGTAASA-N 1 2 328.413 0.636 20 30 ECEDLO COC[C@@H]1CN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC000331264415 437728655 /nfs/dbraw/zinc/72/86/55/437728655.db2.gz OPIYCJWFKBBWFE-KBPBESRZSA-N 1 2 329.441 0.747 20 30 ECEDLO COC[C@@H]1CN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC000331264415 437728660 /nfs/dbraw/zinc/72/86/60/437728660.db2.gz OPIYCJWFKBBWFE-KBPBESRZSA-N 1 2 329.441 0.747 20 30 ECEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(CC#N)CC1 ZINC000362805243 437754341 /nfs/dbraw/zinc/75/43/41/437754341.db2.gz KQNFCPIWJPLSCI-OAHLLOKOSA-N 1 2 346.435 0.151 20 30 ECEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(CC#N)CC1 ZINC000362805243 437754346 /nfs/dbraw/zinc/75/43/46/437754346.db2.gz KQNFCPIWJPLSCI-OAHLLOKOSA-N 1 2 346.435 0.151 20 30 ECEDLO N#Cc1ccc(NCC(=O)NC2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000345235438 437783166 /nfs/dbraw/zinc/78/31/66/437783166.db2.gz AFJJXJPDQDHERH-UHFFFAOYSA-N 1 2 336.399 1.545 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000345494232 437793213 /nfs/dbraw/zinc/79/32/13/437793213.db2.gz HHQRXIZEJGAPMJ-LSDHHAIUSA-N 1 2 339.436 0.017 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCCN(S(N)(=O)=O)CC1 ZINC000363512753 437795378 /nfs/dbraw/zinc/79/53/78/437795378.db2.gz SPIBPNJFWKYEMG-ZDUSSCGKSA-N 1 2 332.470 0.011 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCCN(S(N)(=O)=O)CC1 ZINC000363512753 437795382 /nfs/dbraw/zinc/79/53/82/437795382.db2.gz SPIBPNJFWKYEMG-ZDUSSCGKSA-N 1 2 332.470 0.011 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000363533237 437795420 /nfs/dbraw/zinc/79/54/20/437795420.db2.gz BPHSUPFGQBBGMG-KGLIPLIRSA-N 1 2 331.482 0.813 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000363533237 437795423 /nfs/dbraw/zinc/79/54/23/437795423.db2.gz BPHSUPFGQBBGMG-KGLIPLIRSA-N 1 2 331.482 0.813 20 30 ECEDLO C=CCN(C)C(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000346019483 437801605 /nfs/dbraw/zinc/80/16/05/437801605.db2.gz SUKTWMMSZHKFNZ-KRWDZBQOSA-N 1 2 345.443 0.691 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCN(C(=O)c2ccc[nH]2)CC1)C1CC1 ZINC000363655868 437802334 /nfs/dbraw/zinc/80/23/34/437802334.db2.gz VIVSMFJNAWVCGF-SFHVURJKSA-N 1 2 343.431 0.971 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCCN(C(=O)c2ccc[nH]2)CC1)C1CC1 ZINC000363655868 437802339 /nfs/dbraw/zinc/80/23/39/437802339.db2.gz VIVSMFJNAWVCGF-SFHVURJKSA-N 1 2 343.431 0.971 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H]3CCOC(=O)[C@@H]32)CC1 ZINC000363746933 437805060 /nfs/dbraw/zinc/80/50/60/437805060.db2.gz RBXOEHZWCOUHEH-HLLBOEOZSA-N 1 2 348.447 0.316 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H]3CCOC(=O)[C@@H]32)CC1 ZINC000363746933 437805067 /nfs/dbraw/zinc/80/50/67/437805067.db2.gz RBXOEHZWCOUHEH-HLLBOEOZSA-N 1 2 348.447 0.316 20 30 ECEDLO COC(=O)C(C)(C)N1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000346528333 437812787 /nfs/dbraw/zinc/81/27/87/437812787.db2.gz ORTXYTQPIVQZDA-ZDUSSCGKSA-N 1 2 336.436 0.507 20 30 ECEDLO COC(=O)C(C)(C)N1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000346528332 437812844 /nfs/dbraw/zinc/81/28/44/437812844.db2.gz ORTXYTQPIVQZDA-CYBMUJFWSA-N 1 2 336.436 0.507 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000364584392 437816078 /nfs/dbraw/zinc/81/60/78/437816078.db2.gz UBBLELSXEXOLLA-AWEZNQCLSA-N 1 2 348.378 0.875 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000364584392 437816082 /nfs/dbraw/zinc/81/60/82/437816082.db2.gz UBBLELSXEXOLLA-AWEZNQCLSA-N 1 2 348.378 0.875 20 30 ECEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC(N2C(=O)CCCC2=O)CC1)C1CC1 ZINC000365047024 437851229 /nfs/dbraw/zinc/85/12/29/437851229.db2.gz BUAXLGOVNCLHKN-GOSISDBHSA-N 1 2 346.431 0.798 20 30 ECEDLO COC(=O)c1cn([C@@H]2CCC[N@H+](CC(=O)NC3(C#N)CCC3)C2)nn1 ZINC000347248664 437858995 /nfs/dbraw/zinc/85/89/95/437858995.db2.gz LXSAYTCKOMJXBA-GFCCVEGCSA-N 1 2 346.391 0.264 20 30 ECEDLO COC(=O)c1cn([C@@H]2CCC[N@@H+](CC(=O)NC3(C#N)CCC3)C2)nn1 ZINC000347248664 437859001 /nfs/dbraw/zinc/85/90/01/437859001.db2.gz LXSAYTCKOMJXBA-GFCCVEGCSA-N 1 2 346.391 0.264 20 30 ECEDLO C[C@@H](C#N)S(=O)(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000416404381 437929184 /nfs/dbraw/zinc/92/91/84/437929184.db2.gz QGFFTDUYUQQVOR-HNNXBMFYSA-N 1 2 336.461 0.982 20 30 ECEDLO C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2c2[nH+]ccn2C)C1=O ZINC000371465600 437938238 /nfs/dbraw/zinc/93/82/38/437938238.db2.gz GFJWCMHJULUYKU-LLVKDONJSA-N 1 2 345.359 0.060 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2cccnc2C#N)CC1 ZINC000357243505 437942968 /nfs/dbraw/zinc/94/29/68/437942968.db2.gz XVYQPBCYXQBMMS-AWEZNQCLSA-N 1 2 331.420 0.616 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000347873136 437973365 /nfs/dbraw/zinc/97/33/65/437973365.db2.gz ZYFDOBGQOGUFGH-UHFFFAOYSA-N 1 2 345.363 0.062 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCc1cccc(C#N)c1 ZINC000342214119 437981563 /nfs/dbraw/zinc/98/15/63/437981563.db2.gz CBZHWYNXPMOUQH-KRWDZBQOSA-N 1 2 346.431 0.435 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)nn1 ZINC000424705554 437986239 /nfs/dbraw/zinc/98/62/39/437986239.db2.gz KOVCSRUNLFLHRV-CYBMUJFWSA-N 1 2 335.408 0.564 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366099762 438018173 /nfs/dbraw/zinc/01/81/73/438018173.db2.gz ZWLPPVASMNGGQG-OAHLLOKOSA-N 1 2 345.399 0.879 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000425648230 438030306 /nfs/dbraw/zinc/03/03/06/438030306.db2.gz GMEYJQCILRKVPL-GJZGRUSLSA-N 1 2 349.435 0.928 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000425909184 438047402 /nfs/dbraw/zinc/04/74/02/438047402.db2.gz MTIQVFGMRHJZMJ-MJBXVCDLSA-N 1 2 332.404 0.823 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000348657124 438081923 /nfs/dbraw/zinc/08/19/23/438081923.db2.gz BOBDQDRYRGFGFQ-RYUDHWBXSA-N 1 2 331.438 0.286 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000348657124 438081926 /nfs/dbraw/zinc/08/19/26/438081926.db2.gz BOBDQDRYRGFGFQ-RYUDHWBXSA-N 1 2 331.438 0.286 20 30 ECEDLO C=CCOC[C@H]1NC(=O)N(c2ccc(N3CCOCC3)[nH+]c2C)C1=O ZINC000348694553 438084447 /nfs/dbraw/zinc/08/44/47/438084447.db2.gz PCIJRARRRPXTKT-CYBMUJFWSA-N 1 2 346.387 0.854 20 30 ECEDLO CCOC(=O)C1(O)CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000348538223 438072351 /nfs/dbraw/zinc/07/23/51/438072351.db2.gz AGNYYTZUJDICKV-CZUORRHYSA-N 1 2 339.436 0.819 20 30 ECEDLO N#CCNC(=O)CNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000348825984 438106405 /nfs/dbraw/zinc/10/64/05/438106405.db2.gz DZOZWCZDSVXYAX-UHFFFAOYSA-N 1 2 331.376 0.280 20 30 ECEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C2)[nH]1 ZINC000349374253 438147194 /nfs/dbraw/zinc/14/71/94/438147194.db2.gz QMTNOPLJBDAFLA-CQSZACIVSA-N 1 2 329.408 0.948 20 30 ECEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C2)[nH]1 ZINC000349374253 438147200 /nfs/dbraw/zinc/14/72/00/438147200.db2.gz QMTNOPLJBDAFLA-CQSZACIVSA-N 1 2 329.408 0.948 20 30 ECEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C2)n1 ZINC000349374253 438147204 /nfs/dbraw/zinc/14/72/04/438147204.db2.gz QMTNOPLJBDAFLA-CQSZACIVSA-N 1 2 329.408 0.948 20 30 ECEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C2)n1 ZINC000349374253 438147207 /nfs/dbraw/zinc/14/72/07/438147207.db2.gz QMTNOPLJBDAFLA-CQSZACIVSA-N 1 2 329.408 0.948 20 30 ECEDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C2)n[nH]1 ZINC000349374253 438147211 /nfs/dbraw/zinc/14/72/11/438147211.db2.gz QMTNOPLJBDAFLA-CQSZACIVSA-N 1 2 329.408 0.948 20 30 ECEDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C2)n[nH]1 ZINC000349374253 438147216 /nfs/dbraw/zinc/14/72/16/438147216.db2.gz QMTNOPLJBDAFLA-CQSZACIVSA-N 1 2 329.408 0.948 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000367171601 438176623 /nfs/dbraw/zinc/17/66/23/438176623.db2.gz KIQDYUOXMPOJOY-RDBSUJKOSA-N 1 2 330.454 0.308 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000367171601 438176626 /nfs/dbraw/zinc/17/66/26/438176626.db2.gz KIQDYUOXMPOJOY-RDBSUJKOSA-N 1 2 330.454 0.308 20 30 ECEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCC(=O)NCC#N)CC1 ZINC000358290093 438194633 /nfs/dbraw/zinc/19/46/33/438194633.db2.gz HLWTXPPEMXBAHA-ZDUSSCGKSA-N 1 2 330.392 0.110 20 30 ECEDLO C[C@H](O)COC(=O)CC[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000373859577 438172025 /nfs/dbraw/zinc/17/20/25/438172025.db2.gz NQROIMFWVHASAJ-JCGVRSQUSA-N 1 2 343.383 0.646 20 30 ECEDLO C[C@H](O)COC(=O)CC[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000373859577 438172030 /nfs/dbraw/zinc/17/20/30/438172030.db2.gz NQROIMFWVHASAJ-JCGVRSQUSA-N 1 2 343.383 0.646 20 30 ECEDLO Cc1oc(C#N)cc1C(=O)N1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000373898453 438173866 /nfs/dbraw/zinc/17/38/66/438173866.db2.gz FWRBEAZICURISA-UHFFFAOYSA-N 1 2 330.388 0.838 20 30 ECEDLO Cc1oc(C#N)cc1C(=O)N1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000373898453 438173871 /nfs/dbraw/zinc/17/38/71/438173871.db2.gz FWRBEAZICURISA-UHFFFAOYSA-N 1 2 330.388 0.838 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000350661504 438226648 /nfs/dbraw/zinc/22/66/48/438226648.db2.gz QRMLVSLWYWKZMN-GJZGRUSLSA-N 1 2 336.480 0.742 20 30 ECEDLO C=CCNC(=O)[C@H](C)N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000350661504 438226653 /nfs/dbraw/zinc/22/66/53/438226653.db2.gz QRMLVSLWYWKZMN-GJZGRUSLSA-N 1 2 336.480 0.742 20 30 ECEDLO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+](C)CC(C)(C)C#N ZINC000433311512 438238815 /nfs/dbraw/zinc/23/88/15/438238815.db2.gz HOAPJWOFAHFCQP-CQSZACIVSA-N 1 2 330.436 0.995 20 30 ECEDLO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+](C)CC(C)(C)C#N ZINC000433311512 438238817 /nfs/dbraw/zinc/23/88/17/438238817.db2.gz HOAPJWOFAHFCQP-CQSZACIVSA-N 1 2 330.436 0.995 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000374453965 438210493 /nfs/dbraw/zinc/21/04/93/438210493.db2.gz TTZLKOZHFJOOOV-HZSPNIEDSA-N 1 2 330.454 0.166 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000374453965 438210496 /nfs/dbraw/zinc/21/04/96/438210496.db2.gz TTZLKOZHFJOOOV-HZSPNIEDSA-N 1 2 330.454 0.166 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2OCC[C@@H]2C(C)C)CC1 ZINC000376678164 438289590 /nfs/dbraw/zinc/28/95/90/438289590.db2.gz GVVQPGVTEWMDMA-NVXWUHKLSA-N 1 2 335.448 0.331 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2OCC[C@@H]2C(C)C)CC1 ZINC000376678164 438289593 /nfs/dbraw/zinc/28/95/93/438289593.db2.gz GVVQPGVTEWMDMA-NVXWUHKLSA-N 1 2 335.448 0.331 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)nc(OC)c2)CC1 ZINC000368523200 438342188 /nfs/dbraw/zinc/34/21/88/438342188.db2.gz SRQLBTBNLVGPJL-UHFFFAOYSA-N 1 2 344.415 0.296 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)nc(OC)c2)CC1 ZINC000368523200 438342192 /nfs/dbraw/zinc/34/21/92/438342192.db2.gz SRQLBTBNLVGPJL-UHFFFAOYSA-N 1 2 344.415 0.296 20 30 ECEDLO C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1=O ZINC000378081265 438345372 /nfs/dbraw/zinc/34/53/72/438345372.db2.gz XOLFGKNTQYNHNV-UHFFFAOYSA-N 1 2 345.359 0.093 20 30 ECEDLO C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1=O ZINC000378081265 438345377 /nfs/dbraw/zinc/34/53/77/438345377.db2.gz XOLFGKNTQYNHNV-UHFFFAOYSA-N 1 2 345.359 0.093 20 30 ECEDLO CC#CCCCC(=O)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000376947791 438298673 /nfs/dbraw/zinc/29/86/73/438298673.db2.gz JGSQVJUNQXSQAJ-INIZCTEOSA-N 1 2 335.448 0.619 20 30 ECEDLO N#Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000377585333 438312643 /nfs/dbraw/zinc/31/26/43/438312643.db2.gz RTUJSZWOICKMAR-UHFFFAOYSA-N 1 2 344.375 0.782 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000368634081 438356738 /nfs/dbraw/zinc/35/67/38/438356738.db2.gz CNSVUZJFXBHDCI-ZDUSSCGKSA-N 1 2 329.360 0.418 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000368634081 438356741 /nfs/dbraw/zinc/35/67/41/438356741.db2.gz CNSVUZJFXBHDCI-ZDUSSCGKSA-N 1 2 329.360 0.418 20 30 ECEDLO CC(C)NC(=O)CCCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000352107379 438383183 /nfs/dbraw/zinc/38/31/83/438383183.db2.gz VNMXXBWTVQLFSP-UHFFFAOYSA-N 1 2 338.452 0.756 20 30 ECEDLO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC(F)(C#N)CC1 ZINC000352459399 438426673 /nfs/dbraw/zinc/42/66/73/438426673.db2.gz YAETYBYEBLXSKE-AWEZNQCLSA-N 1 2 346.410 0.841 20 30 ECEDLO C=C(C)C[N@H+](CC(=O)N1CCC[C@H](C(N)=O)C1)Cc1ccc(CO)o1 ZINC000352813306 438480023 /nfs/dbraw/zinc/48/00/23/438480023.db2.gz AZYQRTYEDYCZNI-AWEZNQCLSA-N 1 2 349.431 0.874 20 30 ECEDLO C=C(C)C[N@@H+](CC(=O)N1CCC[C@H](C(N)=O)C1)Cc1ccc(CO)o1 ZINC000352813306 438480026 /nfs/dbraw/zinc/48/00/26/438480026.db2.gz AZYQRTYEDYCZNI-AWEZNQCLSA-N 1 2 349.431 0.874 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CC)O[C@]2(CCCOC2)C1 ZINC000369552896 438489049 /nfs/dbraw/zinc/48/90/49/438489049.db2.gz SJDZEBFKLZGQNJ-CZUORRHYSA-N 1 2 325.409 0.658 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CC)O[C@]2(CCCOC2)C1 ZINC000369552896 438489053 /nfs/dbraw/zinc/48/90/53/438489053.db2.gz SJDZEBFKLZGQNJ-CZUORRHYSA-N 1 2 325.409 0.658 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000369287320 438447559 /nfs/dbraw/zinc/44/75/59/438447559.db2.gz GHDQFVJBAHXFFY-QWHCGFSZSA-N 1 2 330.454 0.008 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000369287320 438447563 /nfs/dbraw/zinc/44/75/63/438447563.db2.gz GHDQFVJBAHXFFY-QWHCGFSZSA-N 1 2 330.454 0.008 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CC(=O)NCc1cccs1 ZINC000353273910 438502960 /nfs/dbraw/zinc/50/29/60/438502960.db2.gz NMQFQJVMPZCEHU-NSHDSACASA-N 1 2 338.433 0.696 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC(=O)NCc1cccs1 ZINC000353273910 438502973 /nfs/dbraw/zinc/50/29/73/438502973.db2.gz NMQFQJVMPZCEHU-NSHDSACASA-N 1 2 338.433 0.696 20 30 ECEDLO C[C@H](CCC#N)[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000411168365 438670830 /nfs/dbraw/zinc/67/08/30/438670830.db2.gz NTWMKJIQSODQGW-KFWWJZLASA-N 1 2 344.481 0.650 20 30 ECEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000453716611 438690642 /nfs/dbraw/zinc/69/06/42/438690642.db2.gz MGPDUYWMWXZDNL-ZDUSSCGKSA-N 1 2 330.388 0.330 20 30 ECEDLO CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1 ZINC000451316918 438698872 /nfs/dbraw/zinc/69/88/72/438698872.db2.gz ULMQBBGMMHESQN-UHFFFAOYSA-N 1 2 344.481 0.352 20 30 ECEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)CCCCC1 ZINC000576236641 438773134 /nfs/dbraw/zinc/77/31/34/438773134.db2.gz YBHGATVNWALAFE-HNNXBMFYSA-N 1 2 346.435 0.750 20 30 ECEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)CCCCC1 ZINC000576236641 438773137 /nfs/dbraw/zinc/77/31/37/438773137.db2.gz YBHGATVNWALAFE-HNNXBMFYSA-N 1 2 346.435 0.750 20 30 ECEDLO N#CCCCCNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000576657635 438793086 /nfs/dbraw/zinc/79/30/86/438793086.db2.gz NCAONYDLTMITOU-LSDHHAIUSA-N 1 2 336.436 0.556 20 30 ECEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC1CCN(CC#N)CC1 ZINC000588132439 438820653 /nfs/dbraw/zinc/82/06/53/438820653.db2.gz YZKIYFNCRWANLY-ZBFHGGJFSA-N 1 2 335.452 0.479 20 30 ECEDLO N#Cc1ncn(CCNC(=O)NCc2ccc[nH+]c2N2CCCC2)n1 ZINC000595620131 438834298 /nfs/dbraw/zinc/83/42/98/438834298.db2.gz FRSTVKWYUWZRGF-UHFFFAOYSA-N 1 2 340.391 0.644 20 30 ECEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)CCC1 ZINC000561875059 438848228 /nfs/dbraw/zinc/84/82/28/438848228.db2.gz ABLHFOYXJASSSN-CYBMUJFWSA-N 1 2 340.449 0.049 20 30 ECEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)CCC1 ZINC000561875059 438848236 /nfs/dbraw/zinc/84/82/36/438848236.db2.gz ABLHFOYXJASSSN-CYBMUJFWSA-N 1 2 340.449 0.049 20 30 ECEDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NCc2ccc(C#N)cc2F)C1 ZINC000601338145 438852442 /nfs/dbraw/zinc/85/24/42/438852442.db2.gz OREVHYOLLKPZGO-ZDUSSCGKSA-N 1 2 327.381 0.447 20 30 ECEDLO C[N@H+]1CCO[C@H](CS(=O)(=O)NCc2ccc(C#N)cc2F)C1 ZINC000601338145 438852448 /nfs/dbraw/zinc/85/24/48/438852448.db2.gz OREVHYOLLKPZGO-ZDUSSCGKSA-N 1 2 327.381 0.447 20 30 ECEDLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccccc1CC#N ZINC000601443990 438895946 /nfs/dbraw/zinc/89/59/46/438895946.db2.gz MRLHYXYENHSDDR-KBPBESRZSA-N 1 2 337.445 0.828 20 30 ECEDLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccccc1CC#N ZINC000601443990 438895949 /nfs/dbraw/zinc/89/59/49/438895949.db2.gz MRLHYXYENHSDDR-KBPBESRZSA-N 1 2 337.445 0.828 20 30 ECEDLO C=CC[N@H+](CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000595763210 438858339 /nfs/dbraw/zinc/85/83/39/438858339.db2.gz KSYFDVWQUFVVJS-NSHDSACASA-N 1 2 331.438 0.286 20 30 ECEDLO C=CC[N@@H+](CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000595763210 438858343 /nfs/dbraw/zinc/85/83/43/438858343.db2.gz KSYFDVWQUFVVJS-NSHDSACASA-N 1 2 331.438 0.286 20 30 ECEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000563365897 438864494 /nfs/dbraw/zinc/86/44/94/438864494.db2.gz OEKJDLTYDVNJLN-AWEZNQCLSA-N 1 2 337.468 0.327 20 30 ECEDLO COc1cccc(C(=O)N(C)C)c1OC[C@H](O)C[N@H+](C)CCC#N ZINC000563890633 438868375 /nfs/dbraw/zinc/86/83/75/438868375.db2.gz IXYUBDQOOITOPZ-CYBMUJFWSA-N 1 2 335.404 0.982 20 30 ECEDLO COc1cccc(C(=O)N(C)C)c1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000563890633 438868378 /nfs/dbraw/zinc/86/83/78/438868378.db2.gz IXYUBDQOOITOPZ-CYBMUJFWSA-N 1 2 335.404 0.982 20 30 ECEDLO N#Cc1cccc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)n1 ZINC000589406664 438870833 /nfs/dbraw/zinc/87/08/33/438870833.db2.gz SRZUMWZWZDTNGX-UHFFFAOYSA-N 1 2 326.360 0.734 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000590362404 438915241 /nfs/dbraw/zinc/91/52/41/438915241.db2.gz FSCATCSPMCYEOX-GFCCVEGCSA-N 1 2 328.376 0.922 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000590362404 438915245 /nfs/dbraw/zinc/91/52/45/438915245.db2.gz FSCATCSPMCYEOX-GFCCVEGCSA-N 1 2 328.376 0.922 20 30 ECEDLO CCc1nc(C#N)cc(NC[C@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000596089594 438924602 /nfs/dbraw/zinc/92/46/02/438924602.db2.gz PYKUWADILMGYRF-MRXNPFEDSA-N 1 2 333.461 1.530 20 30 ECEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2nccc(C#N)n2)CC1 ZINC000516848190 438930985 /nfs/dbraw/zinc/93/09/85/438930985.db2.gz SUDMPSUGXXPCKV-CYBMUJFWSA-N 1 2 328.420 0.918 20 30 ECEDLO CC(C)Cn1c(N)c(C(=O)C[NH2+][C@@H]2CCC[C@H]2C#N)c(=O)[nH]c1=O ZINC000459464406 438968561 /nfs/dbraw/zinc/96/85/61/438968561.db2.gz MEORHSJNLDFIHK-WDEREUQCSA-N 1 2 333.392 0.652 20 30 ECEDLO Cc1cc(N2CC[NH+](CC(=O)N(C)C)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000591136868 438987465 /nfs/dbraw/zinc/98/74/65/438987465.db2.gz TXJPGXQXHQANJQ-UHFFFAOYSA-N 1 2 331.376 0.985 20 30 ECEDLO Cc1cc(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)nn1CCC#N ZINC000596815688 439004261 /nfs/dbraw/zinc/00/42/61/439004261.db2.gz CNTPIKOEMJOANL-AWEZNQCLSA-N 1 2 332.408 1.044 20 30 ECEDLO CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000602249443 439048574 /nfs/dbraw/zinc/04/85/74/439048574.db2.gz KEHWRXPYJQJNSE-UHFFFAOYSA-N 1 2 346.435 0.213 20 30 ECEDLO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2cncc(C#N)c2)C1 ZINC000579532152 439014861 /nfs/dbraw/zinc/01/48/61/439014861.db2.gz UKIDAEPWTOXLIT-CQSZACIVSA-N 1 2 338.433 0.588 20 30 ECEDLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)c2cncc(C#N)c2)C1 ZINC000579532152 439014868 /nfs/dbraw/zinc/01/48/68/439014868.db2.gz UKIDAEPWTOXLIT-CQSZACIVSA-N 1 2 338.433 0.588 20 30 ECEDLO CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000597450562 439100777 /nfs/dbraw/zinc/10/07/77/439100777.db2.gz HGUAMLRUBLUXIZ-NSHDSACASA-N 1 2 327.392 0.714 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000567119172 439116860 /nfs/dbraw/zinc/11/68/60/439116860.db2.gz NOPWZYATRRAZNK-IJEWVQPXSA-N 1 2 326.462 0.902 20 30 ECEDLO C=CCCSCCNC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000597256821 439064678 /nfs/dbraw/zinc/06/46/78/439064678.db2.gz HJCSGMMBCDNURQ-KBPBESRZSA-N 1 2 343.493 0.637 20 30 ECEDLO C[C@H](CC#N)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000597280848 439070378 /nfs/dbraw/zinc/07/03/78/439070378.db2.gz DZBWZUSBTCHQNV-CQSZACIVSA-N 1 2 344.419 0.512 20 30 ECEDLO C[C@H](CC#N)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000597280848 439070381 /nfs/dbraw/zinc/07/03/81/439070381.db2.gz DZBWZUSBTCHQNV-CQSZACIVSA-N 1 2 344.419 0.512 20 30 ECEDLO CN(CCC#N)S(=O)(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000580216896 439073375 /nfs/dbraw/zinc/07/33/75/439073375.db2.gz KXCLNRNAXOIDEV-LLVKDONJSA-N 1 2 329.426 0.160 20 30 ECEDLO N#C[C@H]1CN(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)CCO1 ZINC000602378675 439077024 /nfs/dbraw/zinc/07/70/24/439077024.db2.gz IIPAFXZLMSOJEK-HOTGVXAUSA-N 1 2 345.403 0.216 20 30 ECEDLO N#C[C@H]1CN(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)CCO1 ZINC000602378675 439077028 /nfs/dbraw/zinc/07/70/28/439077028.db2.gz IIPAFXZLMSOJEK-HOTGVXAUSA-N 1 2 345.403 0.216 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCn1cnc2sccc2c1=O ZINC000520478055 439086086 /nfs/dbraw/zinc/08/60/86/439086086.db2.gz MBRYLGRYCQYRNC-OAHLLOKOSA-N 1 2 333.417 0.808 20 30 ECEDLO CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)Cc1ccc(C#N)cn1 ZINC000581080945 439167586 /nfs/dbraw/zinc/16/75/86/439167586.db2.gz ZYHVFLVRFYDMAB-HNNXBMFYSA-N 1 2 331.420 0.935 20 30 ECEDLO CCCNC(=O)C[C@@H](C(N)=O)[N@@H+](CCC)Cc1ccc(C#N)cn1 ZINC000581080945 439167591 /nfs/dbraw/zinc/16/75/91/439167591.db2.gz ZYHVFLVRFYDMAB-HNNXBMFYSA-N 1 2 331.420 0.935 20 30 ECEDLO CO[C@@H]1C[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)[C@](C)(CO)C1 ZINC000602961229 439169833 /nfs/dbraw/zinc/16/98/33/439169833.db2.gz AUJYSSRFMBSYQL-HOCLYGCPSA-N 1 2 338.429 0.804 20 30 ECEDLO CO[C@@H]1C[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)[C@](C)(CO)C1 ZINC000602961229 439169838 /nfs/dbraw/zinc/16/98/38/439169838.db2.gz AUJYSSRFMBSYQL-HOCLYGCPSA-N 1 2 338.429 0.804 20 30 ECEDLO C=CCN(C)C(=O)C(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000580801451 439130920 /nfs/dbraw/zinc/13/09/20/439130920.db2.gz JMAVFNNRLWQKRH-UHFFFAOYSA-N 1 2 339.436 0.017 20 30 ECEDLO C[C@@H]1C[N@H+]([C@H]2CCCN(c3ccn(C)n3)C2=O)C[C@H](C)N1CC#N ZINC000602854828 439144341 /nfs/dbraw/zinc/14/43/41/439144341.db2.gz DWCJBYFJQLMYIR-ZNMIVQPWSA-N 1 2 330.436 0.834 20 30 ECEDLO C[C@@H]1C[N@@H+]([C@H]2CCCN(c3ccn(C)n3)C2=O)C[C@H](C)N1CC#N ZINC000602854828 439144345 /nfs/dbraw/zinc/14/43/45/439144345.db2.gz DWCJBYFJQLMYIR-ZNMIVQPWSA-N 1 2 330.436 0.834 20 30 ECEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000602862828 439146373 /nfs/dbraw/zinc/14/63/73/439146373.db2.gz KCGREQXFCJZYGR-MGPQQGTHSA-N 1 2 343.449 0.073 20 30 ECEDLO N#Cc1ccccc1OCc1cn(C[C@@H](O)C[NH+]2CCOCC2)nn1 ZINC000603258634 439219694 /nfs/dbraw/zinc/21/96/94/439219694.db2.gz NKKDLKFDVOPSNV-INIZCTEOSA-N 1 2 343.387 0.422 20 30 ECEDLO C[N@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)[C@H]1CCC[C@H]1C#N ZINC000602982065 439175564 /nfs/dbraw/zinc/17/55/64/439175564.db2.gz MWVSCSUXQMIKAD-JSGCOSHPSA-N 1 2 342.465 0.151 20 30 ECEDLO C[N@@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)[C@H]1CCC[C@H]1C#N ZINC000602982065 439175567 /nfs/dbraw/zinc/17/55/67/439175567.db2.gz MWVSCSUXQMIKAD-JSGCOSHPSA-N 1 2 342.465 0.151 20 30 ECEDLO CNC(=O)NC[C@H]1COCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000603000121 439179883 /nfs/dbraw/zinc/17/98/83/439179883.db2.gz VNRBXXUERACMOW-HNNXBMFYSA-N 1 2 332.404 0.957 20 30 ECEDLO CNC(=O)NC[C@H]1COCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000603000121 439179886 /nfs/dbraw/zinc/17/98/86/439179886.db2.gz VNRBXXUERACMOW-HNNXBMFYSA-N 1 2 332.404 0.957 20 30 ECEDLO N#Cc1ccsc1N1CC[C@H](n2cc([C@H]3COCC[NH2+]3)nn2)C1=O ZINC000603191108 439206459 /nfs/dbraw/zinc/20/64/59/439206459.db2.gz AJLOTMFNQZQYDZ-OLZOCXBDSA-N 1 2 344.400 0.850 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCC1)n1cc(CC[NH+]2CCOCC2)nn1 ZINC000603239328 439215270 /nfs/dbraw/zinc/21/52/70/439215270.db2.gz FQULDQNLYJRHCF-ZDUSSCGKSA-N 1 2 332.408 0.276 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000490617365 439280752 /nfs/dbraw/zinc/28/07/52/439280752.db2.gz OTIHFWFNXGSLOZ-INIZCTEOSA-N 1 2 348.491 0.533 20 30 ECEDLO C#CCNC(=O)[C@H](C)N1CC[NH+](CC(=O)N(C)C2CCCCC2)CC1 ZINC000490617365 439280758 /nfs/dbraw/zinc/28/07/58/439280758.db2.gz OTIHFWFNXGSLOZ-INIZCTEOSA-N 1 2 348.491 0.533 20 30 ECEDLO N#CC1(NC(=O)C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)CCC1 ZINC000526136114 439242226 /nfs/dbraw/zinc/24/22/26/439242226.db2.gz KYQKSCRYXMDPEM-AWEZNQCLSA-N 1 2 334.420 0.262 20 30 ECEDLO N#CC1(NC(=O)C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)CCC1 ZINC000526136114 439242228 /nfs/dbraw/zinc/24/22/28/439242228.db2.gz KYQKSCRYXMDPEM-AWEZNQCLSA-N 1 2 334.420 0.262 20 30 ECEDLO C#CCN1CCN(C(=O)C[NH2+][C@H](COC)c2ccc(CC)o2)CC1 ZINC000490951407 439317362 /nfs/dbraw/zinc/31/73/62/439317362.db2.gz XQUTXIYJLZMSPN-MRXNPFEDSA-N 1 2 333.432 0.897 20 30 ECEDLO N#Cc1ccnc(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)c1 ZINC000598846398 439319418 /nfs/dbraw/zinc/31/94/18/439319418.db2.gz VZUNUUPXODYPQF-UHFFFAOYSA-N 1 2 330.388 0.564 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(N(C)C)cn2)CC1 ZINC000490987039 439320131 /nfs/dbraw/zinc/32/01/31/439320131.db2.gz WWEWURGMCMFACP-UHFFFAOYSA-N 1 2 343.431 0.045 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(N(C)C)cn2)CC1 ZINC000490987039 439320135 /nfs/dbraw/zinc/32/01/35/439320135.db2.gz WWEWURGMCMFACP-UHFFFAOYSA-N 1 2 343.431 0.045 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CON=Cc2ccc(C(=O)OC)cc2)CC1 ZINC000490778569 439298786 /nfs/dbraw/zinc/29/87/86/439298786.db2.gz HLJUILBFKFGJHK-UHFFFAOYSA-N 1 2 343.383 0.601 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCO[C@H](c3ccccc3F)C2)CC1 ZINC000490778621 439299115 /nfs/dbraw/zinc/29/91/15/439299115.db2.gz HRYDTNXPXNXWQJ-SFHVURJKSA-N 1 2 345.418 0.976 20 30 ECEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Cc2ccc(C#N)nc2)CC1 ZINC000527755596 439303417 /nfs/dbraw/zinc/30/34/17/439303417.db2.gz HWHISUHVVAQDSJ-ZDUSSCGKSA-N 1 2 341.415 0.307 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2(C(=O)OCC)CCC2)CC1 ZINC000490866550 439305972 /nfs/dbraw/zinc/30/59/72/439305972.db2.gz QNXKGPJIHCHMTE-UHFFFAOYSA-N 1 2 349.431 0.004 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(C(=O)OCC)CCC2)CC1 ZINC000490866550 439305975 /nfs/dbraw/zinc/30/59/75/439305975.db2.gz QNXKGPJIHCHMTE-UHFFFAOYSA-N 1 2 349.431 0.004 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(CCO)cc2OC)CC1 ZINC000491306681 439364195 /nfs/dbraw/zinc/36/41/95/439364195.db2.gz NKJSZDLYUFLIDK-UHFFFAOYSA-N 1 2 331.416 0.419 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCC[C@H]2OC)CC1 ZINC000491166594 439342279 /nfs/dbraw/zinc/34/22/79/439342279.db2.gz SMGDQSUBNUSQHJ-HZPDHXFCSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[C@H]2OC)CC1 ZINC000491166594 439342285 /nfs/dbraw/zinc/34/22/85/439342285.db2.gz SMGDQSUBNUSQHJ-HZPDHXFCSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCOc3cc(O)ccc3C2)CC1 ZINC000491210076 439350554 /nfs/dbraw/zinc/35/05/54/439350554.db2.gz PNRXCXHCANJCIK-UHFFFAOYSA-N 1 2 329.400 0.364 20 30 ECEDLO C#C[C@@H]1COCCN1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000491496325 439393903 /nfs/dbraw/zinc/39/39/03/439393903.db2.gz PONSRSDMIVICIU-MRXNPFEDSA-N 1 2 333.457 0.726 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@@H](C)C(=O)N2CCCCCC2)CC1 ZINC000491523359 439399576 /nfs/dbraw/zinc/39/95/76/439399576.db2.gz DJLMEYUXORDAEO-INIZCTEOSA-N 1 2 334.464 0.145 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(C)Cc2cnc(C(C)C)nc2)CC1 ZINC000491555660 439405340 /nfs/dbraw/zinc/40/53/40/439405340.db2.gz SLVIMIIYGHKPLB-UHFFFAOYSA-N 1 2 329.448 0.809 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2ccnc2[C@@H](O)c2cccnc2)CC1 ZINC000491554136 439406712 /nfs/dbraw/zinc/40/67/12/439406712.db2.gz GPTJAXJFZDCVGD-KRWDZBQOSA-N 1 2 339.399 0.137 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)CC1 ZINC000491441303 439383808 /nfs/dbraw/zinc/38/38/08/439383808.db2.gz VGTSRFYLYWLNIV-DZASIIFFSA-N 1 2 343.427 0.185 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCn1cnc2ccccc2c1=O ZINC000570340887 439410861 /nfs/dbraw/zinc/41/08/61/439410861.db2.gz LUTBPIVRSLKBOG-KRWDZBQOSA-N 1 2 327.388 0.747 20 30 ECEDLO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1nnc2n1CCC2 ZINC000570508615 439424748 /nfs/dbraw/zinc/42/47/48/439424748.db2.gz CHCHJOYRULDSTL-LLVKDONJSA-N 1 2 346.416 0.615 20 30 ECEDLO C=CCn1c(CC)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000583155739 439428467 /nfs/dbraw/zinc/42/84/67/439428467.db2.gz IARHFPRLCIQHLV-CYBMUJFWSA-N 1 2 332.452 0.816 20 30 ECEDLO CCOC(=O)C[C@H](O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000599313444 439428533 /nfs/dbraw/zinc/42/85/33/439428533.db2.gz YULRFXZDEJYVII-STQMWFEESA-N 1 2 333.392 0.173 20 30 ECEDLO CCOC(=O)C[C@H](O)C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000599313444 439428536 /nfs/dbraw/zinc/42/85/36/439428536.db2.gz YULRFXZDEJYVII-STQMWFEESA-N 1 2 333.392 0.173 20 30 ECEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593651639 439436362 /nfs/dbraw/zinc/43/63/62/439436362.db2.gz OLVDOBDHOFQIBZ-LLVKDONJSA-N 1 2 341.820 0.651 20 30 ECEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593651639 439436365 /nfs/dbraw/zinc/43/63/65/439436365.db2.gz OLVDOBDHOFQIBZ-LLVKDONJSA-N 1 2 341.820 0.651 20 30 ECEDLO N#Cc1ccc([C@@H](C(N)=O)N2CCC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000570694651 439444142 /nfs/dbraw/zinc/44/41/42/439444142.db2.gz LMZZFMAKEIVGTE-IRXDYDNUSA-N 1 2 328.416 0.881 20 30 ECEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@H](N3CCOCC3)C2)cc1 ZINC000570694651 439444145 /nfs/dbraw/zinc/44/41/45/439444145.db2.gz LMZZFMAKEIVGTE-IRXDYDNUSA-N 1 2 328.416 0.881 20 30 ECEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@H](N3CCOCC3)C2)cc1 ZINC000570694651 439444148 /nfs/dbraw/zinc/44/41/48/439444148.db2.gz LMZZFMAKEIVGTE-IRXDYDNUSA-N 1 2 328.416 0.881 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN([C@H](C(=O)OC)c2ccccc2C)CC1 ZINC000491788308 439451081 /nfs/dbraw/zinc/45/10/81/439451081.db2.gz XNRKJHXUNNUPMC-SFHVURJKSA-N 1 2 343.427 0.576 20 30 ECEDLO COC(=O)[C@@]1(OC)CC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000599568304 439506556 /nfs/dbraw/zinc/50/65/56/439506556.db2.gz ZYUWPQGCWDKTSN-BLLLJJGKSA-N 1 2 349.412 0.989 20 30 ECEDLO COC(=O)[C@@]1(OC)CC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000599568304 439506558 /nfs/dbraw/zinc/50/65/58/439506558.db2.gz ZYUWPQGCWDKTSN-BLLLJJGKSA-N 1 2 349.412 0.989 20 30 ECEDLO CC(=O)NCC(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000599623691 439521420 /nfs/dbraw/zinc/52/14/20/439521420.db2.gz VPPZPEUNFMRILY-UHFFFAOYSA-N 1 2 332.379 0.868 20 30 ECEDLO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000599623691 439521425 /nfs/dbraw/zinc/52/14/25/439521425.db2.gz VPPZPEUNFMRILY-UHFFFAOYSA-N 1 2 332.379 0.868 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000599633371 439521647 /nfs/dbraw/zinc/52/16/47/439521647.db2.gz SDQNUKFTJLRLQY-UTUOFQBUSA-N 1 2 329.422 0.038 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000599633371 439521652 /nfs/dbraw/zinc/52/16/52/439521652.db2.gz SDQNUKFTJLRLQY-UTUOFQBUSA-N 1 2 329.422 0.038 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N2CCC(C#N)CC2)C1=O ZINC000543049797 439559997 /nfs/dbraw/zinc/55/99/97/439559997.db2.gz CPUAYSIRRVHUHL-AWEZNQCLSA-N 1 2 344.419 0.856 20 30 ECEDLO C[C@H](CNS(=O)(=O)c1cccnc1C#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594472138 439566229 /nfs/dbraw/zinc/56/62/29/439566229.db2.gz XQDPUECLWDTIEC-UPJWGTAASA-N 1 2 338.433 0.729 20 30 ECEDLO CCOc1ccc(OC[C@H](O)C[NH+]2CCN(C(=O)CC#N)CC2)cc1 ZINC000572300583 439572489 /nfs/dbraw/zinc/57/24/89/439572489.db2.gz GHLQLUQFMDIBRF-OAHLLOKOSA-N 1 2 347.415 0.883 20 30 ECEDLO Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCO[C@H](C)C2)c1C#N ZINC000610376536 439612781 /nfs/dbraw/zinc/61/27/81/439612781.db2.gz PGKSZJRIGKXSHI-CYBMUJFWSA-N 1 2 330.388 0.642 20 30 ECEDLO Cc1cccc(NC(=O)C(=O)NCC[N@H+]2CCO[C@H](C)C2)c1C#N ZINC000610376536 439612785 /nfs/dbraw/zinc/61/27/85/439612785.db2.gz PGKSZJRIGKXSHI-CYBMUJFWSA-N 1 2 330.388 0.642 20 30 ECEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C(=O)Nc1cccc(C#N)n1 ZINC000595126989 439658568 /nfs/dbraw/zinc/65/85/68/439658568.db2.gz YEVXRWSGORGFEA-NEPJUHHUSA-N 1 2 331.376 0.117 20 30 ECEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C(=O)Nc1cccc(C#N)n1 ZINC000595126989 439658571 /nfs/dbraw/zinc/65/85/71/439658571.db2.gz YEVXRWSGORGFEA-NEPJUHHUSA-N 1 2 331.376 0.117 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cc2F)[C@@H](C)CO1 ZINC000595127068 439658655 /nfs/dbraw/zinc/65/86/55/439658655.db2.gz ZBRCCWMDXGEEEH-NWDGAFQWSA-N 1 2 348.378 0.861 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cc2F)[C@@H](C)CO1 ZINC000595127068 439658658 /nfs/dbraw/zinc/65/86/58/439658658.db2.gz ZBRCCWMDXGEEEH-NWDGAFQWSA-N 1 2 348.378 0.861 20 30 ECEDLO Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)CC1 ZINC000595169647 439666792 /nfs/dbraw/zinc/66/67/92/439666792.db2.gz NUBLALGJSZUQDL-GOSISDBHSA-N 1 2 341.415 0.801 20 30 ECEDLO CN(C)c1noc(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)n1 ZINC000574513477 439710021 /nfs/dbraw/zinc/71/00/21/439710021.db2.gz QURVEBLMXVVURI-ZDUSSCGKSA-N 1 2 331.376 0.731 20 30 ECEDLO N#CCCN1CC[NH+](CC(=O)NCCN2CCc3ccccc32)CC1 ZINC000611174716 439678037 /nfs/dbraw/zinc/67/80/37/439678037.db2.gz LOJKFIOYYZUXRP-UHFFFAOYSA-N 1 2 341.459 0.697 20 30 ECEDLO C=CCCn1cc(C[NH+]2CCC([C@]3(C)NC(=O)NC3=O)CC2)nn1 ZINC000653567539 440209338 /nfs/dbraw/zinc/20/93/38/440209338.db2.gz OGXMSTZUTZOJOL-INIZCTEOSA-N 1 2 332.408 0.664 20 30 ECEDLO C=CCCn1cc(C[NH+]2CCC(NC(=O)N3CCOCC3)CC2)nn1 ZINC000660858201 440745576 /nfs/dbraw/zinc/74/55/76/440745576.db2.gz DYKUXFLIWSSUMI-UHFFFAOYSA-N 1 2 348.451 0.860 20 30 ECEDLO C=CCNC(=O)CN1CCN(C(=O)c2ccn3cc(C)[nH+]c3c2)CC1 ZINC000635156686 440769412 /nfs/dbraw/zinc/76/94/12/440769412.db2.gz NAAJCYSSUPGIPE-UHFFFAOYSA-N 1 2 341.415 0.703 20 30 ECEDLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(C#N)cc1F ZINC000556313869 322190039 /nfs/dbraw/zinc/19/00/39/322190039.db2.gz CHKBABLLMKKJBW-NSHDSACASA-N 1 2 327.381 0.384 20 30 ECEDLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(C#N)cc1F ZINC000556313869 322190040 /nfs/dbraw/zinc/19/00/40/322190040.db2.gz CHKBABLLMKKJBW-NSHDSACASA-N 1 2 327.381 0.384 20 30 ECEDLO N#Cc1cc(F)cc(C2(C(=O)NC[C@H]3C[NH+]4CCN3CC4)CC2)c1 ZINC000560598744 322247244 /nfs/dbraw/zinc/24/72/44/322247244.db2.gz IYZRMXXIZRIDTG-INIZCTEOSA-N 1 2 328.391 0.845 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CNC(=O)C3)CC2)cc1 ZINC000560862917 322251136 /nfs/dbraw/zinc/25/11/36/322251136.db2.gz WLGHANNNBCAMPC-MRXNPFEDSA-N 1 2 341.415 0.522 20 30 ECEDLO Cn1nccc1[C@H](CO)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000563137359 322300244 /nfs/dbraw/zinc/30/02/44/322300244.db2.gz CXACMTLIBNYFBE-AWEZNQCLSA-N 1 2 334.401 0.389 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCN(c3cc(C)nc4ncnn43)CC2)C1=O ZINC000328695865 546004364 /nfs/dbraw/zinc/00/43/64/546004364.db2.gz DCTXSJSYJJTJNY-AWEZNQCLSA-N 1 2 341.419 0.342 20 30 ECEDLO C[C@H](CNC(=O)N1CCC(O[C@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC000330155782 546040064 /nfs/dbraw/zinc/04/00/64/546040064.db2.gz OXSRAKNHSOAUHS-ZBFHGGJFSA-N 1 2 341.452 0.891 20 30 ECEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCOC[C@@]23CCOC3)cc1 ZINC000619655611 546356326 /nfs/dbraw/zinc/35/63/26/546356326.db2.gz PWOLBBKQYPSIRR-WMZOPIPTSA-N 1 2 332.400 0.984 20 30 ECEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCOC[C@@]23CCOC3)cc1 ZINC000619655611 546356329 /nfs/dbraw/zinc/35/63/29/546356329.db2.gz PWOLBBKQYPSIRR-WMZOPIPTSA-N 1 2 332.400 0.984 20 30 ECEDLO C#CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001041774526 782175417 /nfs/dbraw/zinc/17/54/17/782175417.db2.gz WHVUAZCYCNEPOE-NVXWUHKLSA-N 1 2 338.473 0.759 20 30 ECEDLO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001041774526 782175421 /nfs/dbraw/zinc/17/54/21/782175421.db2.gz WHVUAZCYCNEPOE-NVXWUHKLSA-N 1 2 338.473 0.759 20 30 ECEDLO N#CCCNC(=O)C[N@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000748835494 579329743 /nfs/dbraw/zinc/32/97/43/579329743.db2.gz LMOXZCSJTGQZFP-UHFFFAOYSA-N 1 2 346.406 0.932 20 30 ECEDLO N#CCCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000748835494 579329744 /nfs/dbraw/zinc/32/97/44/579329744.db2.gz LMOXZCSJTGQZFP-UHFFFAOYSA-N 1 2 346.406 0.932 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CN1CCSC1=O ZINC000753136667 579395627 /nfs/dbraw/zinc/39/56/27/579395627.db2.gz PAZRQAIUDUYPLQ-UHFFFAOYSA-N 1 2 326.422 0.230 20 30 ECEDLO C[N@H+](CN1CC(=O)N(Cc2ccccc2C#N)C1=O)[C@H]1CCNC1=O ZINC000758403324 579472567 /nfs/dbraw/zinc/47/25/67/579472567.db2.gz XQUMAVUKGLSKNF-AWEZNQCLSA-N 1 2 341.371 0.100 20 30 ECEDLO C[N@@H+](CN1CC(=O)N(Cc2ccccc2C#N)C1=O)[C@H]1CCNC1=O ZINC000758403324 579472569 /nfs/dbraw/zinc/47/25/69/579472569.db2.gz XQUMAVUKGLSKNF-AWEZNQCLSA-N 1 2 341.371 0.100 20 30 ECEDLO N#CCn1c(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc2ccccc21 ZINC000729373433 578295473 /nfs/dbraw/zinc/29/54/73/578295473.db2.gz YEPAFTRFWFOAFR-UHFFFAOYSA-N 1 2 339.399 0.798 20 30 ECEDLO N#CCn1c(C(=O)N2CCC[N@H+](CC(N)=O)CC2)cc2ccccc21 ZINC000729373433 578295474 /nfs/dbraw/zinc/29/54/74/578295474.db2.gz YEPAFTRFWFOAFR-UHFFFAOYSA-N 1 2 339.399 0.798 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000730276299 578304325 /nfs/dbraw/zinc/30/43/25/578304325.db2.gz JWJHBXOOGOCJEJ-KBXCAEBGSA-N 1 2 340.383 0.777 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000730276299 578304326 /nfs/dbraw/zinc/30/43/26/578304326.db2.gz JWJHBXOOGOCJEJ-KBXCAEBGSA-N 1 2 340.383 0.777 20 30 ECEDLO N#CCNC(=O)COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000731249263 578311924 /nfs/dbraw/zinc/31/19/24/578311924.db2.gz KVIZTULTODNQQK-MRXNPFEDSA-N 1 2 331.372 0.367 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC000733161751 578333138 /nfs/dbraw/zinc/33/31/38/578333138.db2.gz YJLKBKKBKDKHCE-RRFJBIMHSA-N 1 2 331.416 0.328 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 ZINC000733161750 578333164 /nfs/dbraw/zinc/33/31/64/578333164.db2.gz YJLKBKKBKDKHCE-KKUMJFAQSA-N 1 2 331.416 0.328 20 30 ECEDLO C[C@H](C(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1)n1cnc(C#N)n1 ZINC000798969239 578654820 /nfs/dbraw/zinc/65/48/20/578654820.db2.gz SYWDFWWECQAVOC-LLVKDONJSA-N 1 2 347.448 0.736 20 30 ECEDLO C=CCN1CC[C@H](N(C)CN2C[C@H](c3c[nH+]cn3C)CC2=O)C1=O ZINC000799142511 578659266 /nfs/dbraw/zinc/65/92/66/578659266.db2.gz VIHYCMUKTPAIJV-KGLIPLIRSA-N 1 2 331.420 0.412 20 30 ECEDLO C#CCOCCNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000784174481 578749462 /nfs/dbraw/zinc/74/94/62/578749462.db2.gz PCLNBWMDFSZIAQ-UHFFFAOYSA-N 1 2 331.416 0.968 20 30 ECEDLO C[C@H](OC(=O)C[N@H+](C)[C@H]1CCSC1)C(=O)NC1(C#N)CCC1 ZINC000787769940 578816233 /nfs/dbraw/zinc/81/62/33/578816233.db2.gz XHRMIDNIAFNBMO-RYUDHWBXSA-N 1 2 325.434 0.918 20 30 ECEDLO C[C@H](OC(=O)C[N@@H+](C)[C@H]1CCSC1)C(=O)NC1(C#N)CCC1 ZINC000787769940 578816234 /nfs/dbraw/zinc/81/62/34/578816234.db2.gz XHRMIDNIAFNBMO-RYUDHWBXSA-N 1 2 325.434 0.918 20 30 ECEDLO C=CCN(CCOC)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000790329331 578871924 /nfs/dbraw/zinc/87/19/24/578871924.db2.gz YCUPHIWGZCEQOU-UHFFFAOYSA-N 1 2 347.481 0.339 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[C@@H](CNC(=O)OC(C)(C)C)OC)CC1 ZINC000767920421 579118802 /nfs/dbraw/zinc/11/88/02/579118802.db2.gz AMFDRPLBMTVLJB-AWEZNQCLSA-N 1 2 339.436 0.694 20 30 ECEDLO S=C(NCCN1CCOCC1)NN=Cc1cccc2[nH+]ccn21 ZINC000771087542 579184415 /nfs/dbraw/zinc/18/44/15/579184415.db2.gz GEZZCNTVWDPCFC-UHFFFAOYSA-N 1 2 332.433 0.465 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cc(C(=O)OC)nc2C2CC2)CC1 ZINC000771662152 579193099 /nfs/dbraw/zinc/19/30/99/579193099.db2.gz QFUMBDWQMHNDNF-UHFFFAOYSA-N 1 2 330.388 0.325 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NCC(=O)OCCn2cc[nH+]c2)cc1 ZINC000771856163 579197033 /nfs/dbraw/zinc/19/70/33/579197033.db2.gz QMXKYIUGMTYQTG-UHFFFAOYSA-N 1 2 334.357 0.276 20 30 ECEDLO N#Cc1ccc(F)c(CNC(=O)C(=O)NCCCn2cc[nH+]c2)c1 ZINC000774466022 579248414 /nfs/dbraw/zinc/24/84/14/579248414.db2.gz AYBFVIZZXGNKNU-UHFFFAOYSA-N 1 2 329.335 0.717 20 30 ECEDLO C#C[C@H](NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1)[C@@H]1CCCO1 ZINC000776232464 579278396 /nfs/dbraw/zinc/27/83/96/579278396.db2.gz RTBFZUZTXZCCRC-HOTGVXAUSA-N 1 2 331.420 0.428 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](C[C@@H](O)c2ccc(C)cc2)CC1 ZINC000761031689 579519713 /nfs/dbraw/zinc/51/97/13/579519713.db2.gz UFZLCJPVSUWOEO-MRXNPFEDSA-N 1 2 337.445 0.114 20 30 ECEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000741287999 579770897 /nfs/dbraw/zinc/77/08/97/579770897.db2.gz LRCXJXWPWYNLNA-BSEYFRJRSA-N 1 2 349.456 0.848 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CCn2cc(Br)cn2)CC1 ZINC000744419220 579809345 /nfs/dbraw/zinc/80/93/45/579809345.db2.gz SALUPTJDHXMPQQ-UHFFFAOYSA-N 1 2 325.210 0.813 20 30 ECEDLO C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000746435717 579839273 /nfs/dbraw/zinc/83/92/73/579839273.db2.gz QRUUKTHWJFAJJI-GXTWGEPZSA-N 1 2 341.375 0.651 20 30 ECEDLO C[S@](=O)CC[NH+]1CCN(CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000746467537 579839931 /nfs/dbraw/zinc/83/99/31/579839931.db2.gz LFHQYMAWKMUSJW-DEOSSOPVSA-N 1 2 348.472 0.171 20 30 ECEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000746473381 579840378 /nfs/dbraw/zinc/84/03/78/579840378.db2.gz IILOMYPTUSTMSB-JBEBIEQOSA-N 1 2 348.472 0.881 20 30 ECEDLO C/C(=C\C(=O)NCCNc1ccc(C#N)cn1)C[NH+]1CCOCC1 ZINC000900157428 586527475 /nfs/dbraw/zinc/52/74/75/586527475.db2.gz LSPSRKKBSAGGDU-GXDHUFHOSA-N 1 2 329.404 0.760 20 30 ECEDLO C#CC[C@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000843247748 589056072 /nfs/dbraw/zinc/05/60/72/589056072.db2.gz JEUTUFUWZVHJEE-BBWFWOEESA-N 1 2 349.475 0.816 20 30 ECEDLO C#CC[C@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000843247748 589056074 /nfs/dbraw/zinc/05/60/74/589056074.db2.gz JEUTUFUWZVHJEE-BBWFWOEESA-N 1 2 349.475 0.816 20 30 ECEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000843248147 589056086 /nfs/dbraw/zinc/05/60/86/589056086.db2.gz KOTRVXDILCNXCD-QGZVFWFLSA-N 1 2 349.475 0.818 20 30 ECEDLO Cc1ccc(F)c(O)c1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000901129543 586695590 /nfs/dbraw/zinc/69/55/90/586695590.db2.gz DJQQUHSUPADYQK-UHFFFAOYSA-N 1 2 340.424 0.970 20 30 ECEDLO C[S@](=O)CC[NH+]1CCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000843395055 589066009 /nfs/dbraw/zinc/06/60/09/589066009.db2.gz LGBDTUOABLICNH-QHCPKHFHSA-N 1 2 332.433 0.097 20 30 ECEDLO C#Cc1cccc(CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000838722350 586821067 /nfs/dbraw/zinc/82/10/67/586821067.db2.gz AYAAAKTUJUBJDR-QGZVFWFLSA-N 1 2 331.416 0.502 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](CCOc2ccccc2C)CC1 ZINC000839526103 586859729 /nfs/dbraw/zinc/85/97/29/586859729.db2.gz BAEFIQBPEYNUOF-UHFFFAOYSA-N 1 2 337.445 0.459 20 30 ECEDLO C#CCCCS(=O)(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000804944733 586864719 /nfs/dbraw/zinc/86/47/19/586864719.db2.gz HNTCBJPFQYGFOE-UHFFFAOYSA-N 1 2 348.432 0.229 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000803668045 587065671 /nfs/dbraw/zinc/06/56/71/587065671.db2.gz FWEXIXGIXZEKKP-UHFFFAOYSA-N 1 2 335.404 0.984 20 30 ECEDLO C=CCN1CCN(C[NH+]2CCC(CNS(C)(=O)=O)CC2)C1=O ZINC000840074995 587107178 /nfs/dbraw/zinc/10/71/78/587107178.db2.gz CWDASEKSVJFNPM-UHFFFAOYSA-N 1 2 330.454 0.129 20 30 ECEDLO C=CCN1CCN(C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)C1=O ZINC000840079399 587111448 /nfs/dbraw/zinc/11/14/48/587111448.db2.gz MSOQZBPRAJCKPF-CQSZACIVSA-N 1 2 344.481 0.471 20 30 ECEDLO C=CCN1CCN(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)C1=O ZINC000840079399 587111449 /nfs/dbraw/zinc/11/14/49/587111449.db2.gz MSOQZBPRAJCKPF-CQSZACIVSA-N 1 2 344.481 0.471 20 30 ECEDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000807284837 587124271 /nfs/dbraw/zinc/12/42/71/587124271.db2.gz QLMFWYOEWGACMB-OCCSQVGLSA-N 1 2 342.355 0.880 20 30 ECEDLO C=CCc1cc(OCC)cc(C[N@@H+]2CCN(CC(N)=O)C(=O)C2)c1O ZINC000840159059 587170410 /nfs/dbraw/zinc/17/04/10/587170410.db2.gz HTWCZBZNKGHRON-UHFFFAOYSA-N 1 2 347.415 0.649 20 30 ECEDLO C=CCc1cc(OCC)cc(C[N@H+]2CCN(CC(N)=O)C(=O)C2)c1O ZINC000840159059 587170411 /nfs/dbraw/zinc/17/04/11/587170411.db2.gz HTWCZBZNKGHRON-UHFFFAOYSA-N 1 2 347.415 0.649 20 30 ECEDLO N#CC[C@@H](O)C[NH+]1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000809576558 587180440 /nfs/dbraw/zinc/18/04/40/587180440.db2.gz DFANEPPHUABBBX-CYBMUJFWSA-N 1 2 326.404 0.604 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000810073321 587189091 /nfs/dbraw/zinc/18/90/91/587189091.db2.gz VYKKFLHYQARIAA-UHFFFAOYSA-N 1 2 326.397 0.549 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000810073321 587189092 /nfs/dbraw/zinc/18/90/92/587189092.db2.gz VYKKFLHYQARIAA-UHFFFAOYSA-N 1 2 326.397 0.549 20 30 ECEDLO C#C[C@H](C)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000812019942 587230371 /nfs/dbraw/zinc/23/03/71/587230371.db2.gz UOQBKWSRZCOPHE-AWEZNQCLSA-N 1 2 329.404 0.441 20 30 ECEDLO N#Cc1ncc(C(F)(F)F)cc1N1CCC[N@@H+](CC(N)=O)CC1 ZINC000840249131 587234348 /nfs/dbraw/zinc/23/43/48/587234348.db2.gz YIYDJWUCSNEOGD-UHFFFAOYSA-N 1 2 327.310 0.969 20 30 ECEDLO N#Cc1ncc(C(F)(F)F)cc1N1CCC[N@H+](CC(N)=O)CC1 ZINC000840249131 587234349 /nfs/dbraw/zinc/23/43/49/587234349.db2.gz YIYDJWUCSNEOGD-UHFFFAOYSA-N 1 2 327.310 0.969 20 30 ECEDLO C=C[C@@H](O)C(=O)OCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000814549436 587276827 /nfs/dbraw/zinc/27/68/27/587276827.db2.gz FYWWLFTWYVCTEH-MRXNPFEDSA-N 1 2 348.399 0.225 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1cccnc1Cl ZINC000814716933 587278842 /nfs/dbraw/zinc/27/88/42/587278842.db2.gz LSYDOZZPHUPXSO-UHFFFAOYSA-N 1 2 327.841 0.865 20 30 ECEDLO CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1ccc(N)nc1 ZINC000814727830 587278980 /nfs/dbraw/zinc/27/89/80/587278980.db2.gz BCWVFYSPWZUGSF-UHFFFAOYSA-N 1 2 336.465 0.574 20 30 ECEDLO C#Cc1cccc(CNC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000817820453 587387085 /nfs/dbraw/zinc/38/70/85/587387085.db2.gz WKBUBXDKKTUVFY-HUUCEWRRSA-N 1 2 343.427 0.510 20 30 ECEDLO C#Cc1cccc(CNC(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)c1 ZINC000817843432 587388952 /nfs/dbraw/zinc/38/89/52/587388952.db2.gz XEHZOMIWTBHGCJ-OAHLLOKOSA-N 1 2 343.427 0.463 20 30 ECEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@@H](O)CC1=O ZINC000819745668 587488760 /nfs/dbraw/zinc/48/87/60/587488760.db2.gz OQYZVFBZOODOSJ-AWEZNQCLSA-N 1 2 328.376 0.405 20 30 ECEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@@H](O)CC1=O ZINC000819745668 587488761 /nfs/dbraw/zinc/48/87/61/587488761.db2.gz OQYZVFBZOODOSJ-AWEZNQCLSA-N 1 2 328.376 0.405 20 30 ECEDLO C=C[C@](C)(O)C(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000822806748 587681250 /nfs/dbraw/zinc/68/12/50/587681250.db2.gz IJKJXPSOODLHMZ-INIZCTEOSA-N 1 2 327.425 0.592 20 30 ECEDLO CC(C)(CCC(=O)N(CCC#N)CC[NH+]1CCOCC1)[N+](=O)[O-] ZINC000822904815 587689833 /nfs/dbraw/zinc/68/98/33/587689833.db2.gz AUPFHVOYTMQQHH-UHFFFAOYSA-N 1 2 326.397 0.896 20 30 ECEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N[C@H]2CCCN(O)C2=O)cc1 ZINC000823160277 587706419 /nfs/dbraw/zinc/70/64/19/587706419.db2.gz CAARAZWDTYDNHO-GJZGRUSLSA-N 1 2 333.388 0.766 20 30 ECEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N[C@H]2CCCN(O)C2=O)cc1 ZINC000823160277 587706421 /nfs/dbraw/zinc/70/64/21/587706421.db2.gz CAARAZWDTYDNHO-GJZGRUSLSA-N 1 2 333.388 0.766 20 30 ECEDLO COc1cc(C(=O)N2CC[NH+](CC[S@@](C)=O)CC2)ccc1C#N ZINC000828521704 588187004 /nfs/dbraw/zinc/18/70/04/588187004.db2.gz BRLJCWHSZZFXAK-HSZRJFAPSA-N 1 2 335.429 0.703 20 30 ECEDLO C#CCCN(CCOC)C(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000828714216 588201031 /nfs/dbraw/zinc/20/10/31/588201031.db2.gz VYMJSUUWZBRYNO-HNNXBMFYSA-N 1 2 344.415 0.275 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](Cc1ccncc1)C(=O)OCC ZINC000829742073 588338435 /nfs/dbraw/zinc/33/84/35/588338435.db2.gz SFKPOAHKBLOPHR-HOTGVXAUSA-N 1 2 329.400 0.770 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](Cc1ccncc1)C(=O)OCC ZINC000829742073 588338436 /nfs/dbraw/zinc/33/84/36/588338436.db2.gz SFKPOAHKBLOPHR-HOTGVXAUSA-N 1 2 329.400 0.770 20 30 ECEDLO C#CCC1(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCOCC1 ZINC000829787702 588341773 /nfs/dbraw/zinc/34/17/73/588341773.db2.gz JIVHVYSVTPIWFE-CVEARBPZSA-N 1 2 336.432 0.555 20 30 ECEDLO COC(=O)Nc1ccc(CNC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000829987485 588352408 /nfs/dbraw/zinc/35/24/08/588352408.db2.gz GBDRNXVVLRPCIG-KRWDZBQOSA-N 1 2 346.387 0.832 20 30 ECEDLO COC(=O)Nc1ccc(CNC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000829987485 588352410 /nfs/dbraw/zinc/35/24/10/588352410.db2.gz GBDRNXVVLRPCIG-KRWDZBQOSA-N 1 2 346.387 0.832 20 30 ECEDLO COC(=O)C1(C#N)CC[NH+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000831691508 588441887 /nfs/dbraw/zinc/44/18/87/588441887.db2.gz PEIRKBOHEPJEFW-LSDHHAIUSA-N 1 2 349.431 0.935 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)CC1 ZINC000833364107 588536388 /nfs/dbraw/zinc/53/63/88/588536388.db2.gz DWCQDWRGTJUTGI-OAHLLOKOSA-N 1 2 335.448 0.587 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)CC1 ZINC000833364107 588536390 /nfs/dbraw/zinc/53/63/90/588536390.db2.gz DWCQDWRGTJUTGI-OAHLLOKOSA-N 1 2 335.448 0.587 20 30 ECEDLO C[N@@H+](CC(=O)NCC(=O)N1CCCC1)C[C@H](O)c1cccc(C#N)c1 ZINC000844371415 589109520 /nfs/dbraw/zinc/10/95/20/589109520.db2.gz YNVSOYNNVAZHAF-INIZCTEOSA-N 1 2 344.415 0.262 20 30 ECEDLO C[N@H+](CC(=O)NCC(=O)N1CCCC1)C[C@H](O)c1cccc(C#N)c1 ZINC000844371415 589109521 /nfs/dbraw/zinc/10/95/21/589109521.db2.gz YNVSOYNNVAZHAF-INIZCTEOSA-N 1 2 344.415 0.262 20 30 ECEDLO C[C@H]1C[N@H+](CCNC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)CCO1 ZINC000844943668 589126453 /nfs/dbraw/zinc/12/64/53/589126453.db2.gz PRXSBOSMRCLGQN-YOEHRIQHSA-N 1 2 346.431 0.954 20 30 ECEDLO C[C@H]1C[N@@H+](CCNC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)CCO1 ZINC000844943668 589126454 /nfs/dbraw/zinc/12/64/54/589126454.db2.gz PRXSBOSMRCLGQN-YOEHRIQHSA-N 1 2 346.431 0.954 20 30 ECEDLO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@]2(C(N)=O)CCOC2)cc1C ZINC000847052494 589234114 /nfs/dbraw/zinc/23/41/14/589234114.db2.gz MOMYXCNXMQHOMK-GOSISDBHSA-N 1 2 344.415 0.784 20 30 ECEDLO O=C(N[C@@H]1CCCN(O)C1=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000848138229 589280165 /nfs/dbraw/zinc/28/01/65/589280165.db2.gz KMOAGHRSOHVUOW-OAHLLOKOSA-N 1 2 333.388 0.629 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cc(C)cc(C(N)=O)c2)CC1 ZINC000849373025 589327680 /nfs/dbraw/zinc/32/76/80/589327680.db2.gz YBJKJUASFHCHIR-UHFFFAOYSA-N 1 2 335.429 0.424 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(C)c(C(=O)OC)c2)CC1 ZINC000849974339 589354438 /nfs/dbraw/zinc/35/44/38/589354438.db2.gz DFDNUYBQBGOSMV-UHFFFAOYSA-N 1 2 330.384 0.938 20 30 ECEDLO C#CCN1C(=O)C[C@@H]([N@@H+]2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)C1=O ZINC000853003668 589528904 /nfs/dbraw/zinc/52/89/04/589528904.db2.gz BKLNWLRJBMNJSN-OUAUKWLOSA-N 1 2 345.321 0.136 20 30 ECEDLO C#CCN1C(=O)C[C@@H]([N@H+]2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)C1=O ZINC000853003668 589528906 /nfs/dbraw/zinc/52/89/06/589528906.db2.gz BKLNWLRJBMNJSN-OUAUKWLOSA-N 1 2 345.321 0.136 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(c2cc(Cl)nc3cc(C)nn32)CC1 ZINC000853266564 589539373 /nfs/dbraw/zinc/53/93/73/589539373.db2.gz JRJBTYOKDIMNTL-UHFFFAOYSA-N 1 2 346.822 0.563 20 30 ECEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000853355282 589541255 /nfs/dbraw/zinc/54/12/55/589541255.db2.gz BNFVHJBOOBPUFZ-CQSZACIVSA-N 1 2 339.436 0.694 20 30 ECEDLO C#CCC[N@@H+](CCOC)CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O ZINC000853621090 589552397 /nfs/dbraw/zinc/55/23/97/589552397.db2.gz PKTOPDDDYCNJPO-HNNXBMFYSA-N 1 2 332.404 0.267 20 30 ECEDLO C#CCC[N@H+](CCOC)CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O ZINC000853621090 589552399 /nfs/dbraw/zinc/55/23/99/589552399.db2.gz PKTOPDDDYCNJPO-HNNXBMFYSA-N 1 2 332.404 0.267 20 30 ECEDLO Cn1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[nH]c1=O ZINC000854248645 589576598 /nfs/dbraw/zinc/57/65/98/589576598.db2.gz DPZMNYOHRTUXOP-UHFFFAOYSA-N 1 2 325.372 0.955 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CCc2c(C)nc(SC)[nH]c2=O)CC1 ZINC000112921021 589617746 /nfs/dbraw/zinc/61/77/46/589617746.db2.gz VXURYLBYZHXSSR-UHFFFAOYSA-N 1 2 334.445 0.510 20 30 ECEDLO C=CCn1cc(C(=O)N2Cc3ccc[nH+]c3N3C[C@H](O)C[C@H]3C2)nn1 ZINC000856615947 589669073 /nfs/dbraw/zinc/66/90/73/589669073.db2.gz HXYYKGIPCHFHGU-UONOGXRCSA-N 1 2 340.387 0.455 20 30 ECEDLO C#CCOCCNC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000858356937 589743805 /nfs/dbraw/zinc/74/38/05/589743805.db2.gz IXALZXIUGJSRRB-INIZCTEOSA-N 1 2 332.404 0.231 20 30 ECEDLO C#CCOCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000858356937 589743806 /nfs/dbraw/zinc/74/38/06/589743806.db2.gz IXALZXIUGJSRRB-INIZCTEOSA-N 1 2 332.404 0.231 20 30 ECEDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1 ZINC000867863250 589855063 /nfs/dbraw/zinc/85/50/63/589855063.db2.gz XMJPNCABHBNCGM-HOTGVXAUSA-N 1 2 335.429 0.275 20 30 ECEDLO C[N@H+]1CCO[C@H](CS(=O)(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1 ZINC000867863250 589855066 /nfs/dbraw/zinc/85/50/66/589855066.db2.gz XMJPNCABHBNCGM-HOTGVXAUSA-N 1 2 335.429 0.275 20 30 ECEDLO CN1CC[N@H+](C)[C@H](CNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1 ZINC000868235613 589883128 /nfs/dbraw/zinc/88/31/28/589883128.db2.gz BTJKZJCXVGYPGA-IAGOWNOFSA-N 1 2 327.432 0.570 20 30 ECEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1 ZINC000868235613 589883130 /nfs/dbraw/zinc/88/31/30/589883130.db2.gz BTJKZJCXVGYPGA-IAGOWNOFSA-N 1 2 327.432 0.570 20 30 ECEDLO O=C(C#Cc1ccc2c(c1)OCO2)NC1CC([NH+]2CCOCC2)C1 ZINC000862108964 589920754 /nfs/dbraw/zinc/92/07/54/589920754.db2.gz DVGQFACOUJYLGH-UHFFFAOYSA-N 1 2 328.368 0.746 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(-c2cccnc2)nn1CCO ZINC000862262855 589935548 /nfs/dbraw/zinc/93/55/48/589935548.db2.gz XKEDOJIHGFWHQW-INIZCTEOSA-N 1 2 339.399 0.974 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(-c2cccnc2)nn1CCO ZINC000862262855 589935549 /nfs/dbraw/zinc/93/55/49/589935549.db2.gz XKEDOJIHGFWHQW-INIZCTEOSA-N 1 2 339.399 0.974 20 30 ECEDLO CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000869129436 589948879 /nfs/dbraw/zinc/94/88/79/589948879.db2.gz NYFNJPPNOUZRLE-GPCFVJJQSA-N 1 2 329.400 0.938 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870057940 589991868 /nfs/dbraw/zinc/99/18/68/589991868.db2.gz GCLAUVYAPKICQK-JKSUJKDBSA-N 1 2 339.436 0.017 20 30 ECEDLO N#Cc1ccc(F)c(C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000870059917 589992810 /nfs/dbraw/zinc/99/28/10/589992810.db2.gz OFKSGUPPUGPWJG-AWEZNQCLSA-N 1 2 333.363 0.871 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(COCCOC)n2CC2CC2)CC1 ZINC000871266124 590058238 /nfs/dbraw/zinc/05/82/38/590058238.db2.gz OHOBARIFHNIQGE-UHFFFAOYSA-N 1 2 333.436 0.606 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc3c2NC(=O)CO3)CC1 ZINC000871867476 590090435 /nfs/dbraw/zinc/09/04/35/590090435.db2.gz MYRRLIHHABCHJO-UHFFFAOYSA-N 1 2 328.372 0.207 20 30 ECEDLO N#CC1(NC(=O)C[N@@H+]2CCNC(=O)CC23CCOCC3)CCCCC1 ZINC000872293012 590112106 /nfs/dbraw/zinc/11/21/06/590112106.db2.gz BLFHNSFPDHODJU-UHFFFAOYSA-N 1 2 348.447 0.700 20 30 ECEDLO N#CC1(NC(=O)C[N@H+]2CCNC(=O)CC23CCOCC3)CCCCC1 ZINC000872293012 590112108 /nfs/dbraw/zinc/11/21/08/590112108.db2.gz BLFHNSFPDHODJU-UHFFFAOYSA-N 1 2 348.447 0.700 20 30 ECEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CN3CC4(COC4)CC3=O)C2)nc1 ZINC000872612920 590132702 /nfs/dbraw/zinc/13/27/02/590132702.db2.gz JKCDYUBDNOGPQX-AWEZNQCLSA-N 1 2 328.372 0.613 20 30 ECEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CN3CC4(COC4)CC3=O)C2)nc1 ZINC000872612920 590132703 /nfs/dbraw/zinc/13/27/03/590132703.db2.gz JKCDYUBDNOGPQX-AWEZNQCLSA-N 1 2 328.372 0.613 20 30 ECEDLO CNC(=O)C[NH+]1CCN(c2cc(C(F)(F)F)cc(C#N)n2)CC1 ZINC000865415247 590144502 /nfs/dbraw/zinc/14/45/02/590144502.db2.gz XZRVFPVHQYBWOY-UHFFFAOYSA-N 1 2 327.310 0.840 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(c2nc(C(C)C)nc3[nH]ccc32)CC1 ZINC000865507107 590147877 /nfs/dbraw/zinc/14/78/77/590147877.db2.gz ZITYOANWUNSLKK-UHFFFAOYSA-N 1 2 340.431 0.953 20 30 ECEDLO C=CC(C)(C)CCCNC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000872855963 590169780 /nfs/dbraw/zinc/16/97/80/590169780.db2.gz YXERIYSQRDDAIQ-UHFFFAOYSA-N 1 2 325.453 0.886 20 30 ECEDLO Cc1ccc(NC(=O)C(=O)N2CCN(CCC#N)CC2)c(N(C)C)[nH+]1 ZINC000874178911 590225151 /nfs/dbraw/zinc/22/51/51/590225151.db2.gz ZMLFRCKZKZACRG-UHFFFAOYSA-N 1 2 344.419 0.452 20 30 ECEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000874349013 590233874 /nfs/dbraw/zinc/23/38/74/590233874.db2.gz PVQAPRBDKJQGEK-MRXNPFEDSA-N 1 2 344.415 0.918 20 30 ECEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000874349013 590233875 /nfs/dbraw/zinc/23/38/75/590233875.db2.gz PVQAPRBDKJQGEK-MRXNPFEDSA-N 1 2 344.415 0.918 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC(F)(F)[C@H](C(=O)OCC)C1 ZINC000879371608 590308128 /nfs/dbraw/zinc/30/81/28/590308128.db2.gz TYQXMGZZMJTPGV-QWRGUYRKSA-N 1 2 347.362 0.907 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC(F)(F)[C@H](C(=O)OCC)C1 ZINC000879371608 590308130 /nfs/dbraw/zinc/30/81/30/590308130.db2.gz TYQXMGZZMJTPGV-QWRGUYRKSA-N 1 2 347.362 0.907 20 30 ECEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879612025 590328551 /nfs/dbraw/zinc/32/85/51/590328551.db2.gz PLMWAUMVAHTKOD-WQVCFCJDSA-N 1 2 335.379 0.888 20 30 ECEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879612025 590328553 /nfs/dbraw/zinc/32/85/53/590328553.db2.gz PLMWAUMVAHTKOD-WQVCFCJDSA-N 1 2 335.379 0.888 20 30 ECEDLO Cc1nc(C#N)cc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)n1 ZINC000881777281 590472027 /nfs/dbraw/zinc/47/20/27/590472027.db2.gz QRAMDGFXJDJCGB-UHFFFAOYSA-N 1 2 328.420 0.791 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nnc4c(=O)[nH]ccn34)CC2)cc1 ZINC000877943615 590488075 /nfs/dbraw/zinc/48/80/75/590488075.db2.gz MFYGIZGGESLTBC-UHFFFAOYSA-N 1 2 349.398 0.607 20 30 ECEDLO C#C[C@@H](CO)NC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000878132477 590501107 /nfs/dbraw/zinc/50/11/07/590501107.db2.gz WJGQEAYXPVETEU-ZDUSSCGKSA-N 1 2 330.388 0.190 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)OC)CC1 ZINC000878445902 590521820 /nfs/dbraw/zinc/52/18/20/590521820.db2.gz DCBHGMNVPOMXSN-ZDUSSCGKSA-N 1 2 325.409 0.304 20 30 ECEDLO CCOC(=O)C1=C(C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)NC(=O)N[C@H]1C ZINC000878776198 590541520 /nfs/dbraw/zinc/54/15/20/590541520.db2.gz IWIORUMSYDEJLK-XQQFMLRXSA-N 1 2 349.435 0.423 20 30 ECEDLO CCOC(=O)C1=C(C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)NC(=O)N[C@H]1C ZINC000878776198 590541523 /nfs/dbraw/zinc/54/15/23/590541523.db2.gz IWIORUMSYDEJLK-XQQFMLRXSA-N 1 2 349.435 0.423 20 30 ECEDLO N#Cc1ccc(N2CCN(S(=O)(=O)CCn3cc[nH+]c3)CC2)cc1 ZINC000882501122 590557197 /nfs/dbraw/zinc/55/71/97/590557197.db2.gz KMYJXQWUYRROON-UHFFFAOYSA-N 1 2 345.428 0.907 20 30 ECEDLO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1nnc2n1CCNC2=O ZINC000883294186 590611472 /nfs/dbraw/zinc/61/14/72/590611472.db2.gz RMLXMKBBPKCXHE-UHFFFAOYSA-N 1 2 325.376 0.249 20 30 ECEDLO C=C(C)C[C@H](CO)NC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000883797764 590667798 /nfs/dbraw/zinc/66/77/98/590667798.db2.gz KFDQLSCFPXJROD-SJORKVTESA-N 1 2 348.447 0.909 20 30 ECEDLO C=C(C)C[C@H](CO)NC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000883797764 590667802 /nfs/dbraw/zinc/66/78/02/590667802.db2.gz KFDQLSCFPXJROD-SJORKVTESA-N 1 2 348.447 0.909 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1ccc2c(c1)OCCO2 ZINC000884051395 590720222 /nfs/dbraw/zinc/72/02/22/590720222.db2.gz DYEDROSJUJWZPC-ZDUSSCGKSA-N 1 2 334.372 0.563 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC000885514154 590729899 /nfs/dbraw/zinc/72/98/99/590729899.db2.gz QZZREPLACDMGQC-INIZCTEOSA-N 1 2 349.456 0.699 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC000885514154 590729902 /nfs/dbraw/zinc/72/99/02/590729902.db2.gz QZZREPLACDMGQC-INIZCTEOSA-N 1 2 349.456 0.699 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(C(=O)OC)c2)C1 ZINC000885513867 590730017 /nfs/dbraw/zinc/73/00/17/590730017.db2.gz IMGFQYZHEMUJSN-CQSZACIVSA-N 1 2 336.413 0.849 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(C(=O)OC)c2)C1 ZINC000885513867 590730019 /nfs/dbraw/zinc/73/00/19/590730019.db2.gz IMGFQYZHEMUJSN-CQSZACIVSA-N 1 2 336.413 0.849 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)NCCS(=O)(=O)C(C)(C)C)C1 ZINC000884146462 590753783 /nfs/dbraw/zinc/75/37/83/590753783.db2.gz JQHZEAQKRWPACK-CYBMUJFWSA-N 1 2 329.466 0.597 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCS(=O)(=O)C(C)(C)C)C1 ZINC000884146462 590753785 /nfs/dbraw/zinc/75/37/85/590753785.db2.gz JQHZEAQKRWPACK-CYBMUJFWSA-N 1 2 329.466 0.597 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000884176098 590762564 /nfs/dbraw/zinc/76/25/64/590762564.db2.gz VOQJVDXXHJPGRB-HNNXBMFYSA-N 1 2 335.379 0.921 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCN(c2nccs2)CC1 ZINC000884200545 590771471 /nfs/dbraw/zinc/77/14/71/590771471.db2.gz FECAUWMYXDFNRM-LBPRGKRZSA-N 1 2 338.433 0.628 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(Cc2cscn2)CC1 ZINC000884199210 590771881 /nfs/dbraw/zinc/77/18/81/590771881.db2.gz SEMZUALWBLOGIB-ZDUSSCGKSA-N 1 2 338.433 0.234 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OC ZINC000884307601 590800653 /nfs/dbraw/zinc/80/06/53/590800653.db2.gz NSCLHIZBLCHEIE-LSDHHAIUSA-N 1 2 346.383 0.560 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(N2CCCCC2=O)CC1 ZINC000884318412 590804061 /nfs/dbraw/zinc/80/40/61/590804061.db2.gz VFXOXJJCIMKLKU-AWEZNQCLSA-N 1 2 337.420 0.437 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1c(C(F)(F)F)cnn1C ZINC000884429132 590826146 /nfs/dbraw/zinc/82/61/46/590826146.db2.gz YRQNXEKHQKDFSW-VIFPVBQESA-N 1 2 334.298 0.502 20 30 ECEDLO C=CCC[C@H](O)C[N@H+]1CCOC[C@@]1(CO)CNC(=O)OC(C)(C)C ZINC000886292593 590826552 /nfs/dbraw/zinc/82/65/52/590826552.db2.gz RWMXGSXLBQJNEX-YOEHRIQHSA-N 1 2 344.452 0.902 20 30 ECEDLO C=CCC[C@H](O)C[N@@H+]1CCOC[C@@]1(CO)CNC(=O)OC(C)(C)C ZINC000886292593 590826555 /nfs/dbraw/zinc/82/65/55/590826555.db2.gz RWMXGSXLBQJNEX-YOEHRIQHSA-N 1 2 344.452 0.902 20 30 ECEDLO N#CC1(C[C@H](O)C[NH+]2CCN(S(=O)(=O)C3CC3)CC2)CCC1 ZINC000886297072 590827082 /nfs/dbraw/zinc/82/70/82/590827082.db2.gz IIFQNXDKNFGFLB-ZDUSSCGKSA-N 1 2 327.450 0.541 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](C(=O)OC)[C@@H]2CCC[C@H]21 ZINC000884440901 590829499 /nfs/dbraw/zinc/82/94/99/590829499.db2.gz URCQRILIEWYNMB-XDQVBPFNSA-N 1 2 338.404 0.623 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)c1 ZINC000946588325 611355695 /nfs/dbraw/zinc/35/56/95/611355695.db2.gz IVPBBQQGFQTUDN-UHFFFAOYSA-N 1 2 340.387 0.963 20 30 ECEDLO CN(Cc1cc(C#N)cs1)C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000930522764 611439709 /nfs/dbraw/zinc/43/97/09/611439709.db2.gz QOCLXXHSKKBCCZ-GFCCVEGCSA-N 1 2 343.412 0.906 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000932039759 611594762 /nfs/dbraw/zinc/59/47/62/611594762.db2.gz VRFQMHDDUXILAX-IRXDYDNUSA-N 1 2 349.475 0.721 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000932039759 611594764 /nfs/dbraw/zinc/59/47/64/611594764.db2.gz VRFQMHDDUXILAX-IRXDYDNUSA-N 1 2 349.475 0.721 20 30 ECEDLO CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000937354507 608611789 /nfs/dbraw/zinc/61/17/89/608611789.db2.gz ZYCFVSVUBGUOCN-JKSUJKDBSA-N 1 2 340.427 0.918 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCCC(=O)N3C)CC2)C1 ZINC000949520212 608735499 /nfs/dbraw/zinc/73/54/99/608735499.db2.gz LKFJXWRSXKZQHH-OAHLLOKOSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCCC(=O)N3C)CC2)C1 ZINC000949520212 608735503 /nfs/dbraw/zinc/73/55/03/608735503.db2.gz LKFJXWRSXKZQHH-OAHLLOKOSA-N 1 2 333.432 0.324 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000928453900 608746219 /nfs/dbraw/zinc/74/62/19/608746219.db2.gz JJRKDKSUHGAIPX-IUODEOHRSA-N 1 2 335.429 0.682 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC000928453900 608746221 /nfs/dbraw/zinc/74/62/21/608746221.db2.gz JJRKDKSUHGAIPX-IUODEOHRSA-N 1 2 335.429 0.682 20 30 ECEDLO COc1cc(C#N)ccc1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000934320395 608810011 /nfs/dbraw/zinc/81/00/11/608810011.db2.gz LWFSWHQCQMJBRO-AWEZNQCLSA-N 1 2 333.388 0.332 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000937850254 609113902 /nfs/dbraw/zinc/11/39/02/609113902.db2.gz AWAPNWPHJXXHHZ-YPMHNXCESA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000937850254 609113904 /nfs/dbraw/zinc/11/39/04/609113904.db2.gz AWAPNWPHJXXHHZ-YPMHNXCESA-N 1 2 340.387 0.819 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000937850162 609113929 /nfs/dbraw/zinc/11/39/29/609113929.db2.gz XAPQIVWKDWTTCE-ZDUSSCGKSA-N 1 2 340.387 0.583 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000938167960 609477259 /nfs/dbraw/zinc/47/72/59/609477259.db2.gz QFOFTAUSTRCGHS-GJZGRUSLSA-N 1 2 326.400 0.576 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000938168519 609477885 /nfs/dbraw/zinc/47/78/85/609477885.db2.gz ACCXKEKLZCJRML-GJZGRUSLSA-N 1 2 326.400 0.576 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)C2CCC(C(=O)OC)CC2)C1 ZINC000919875086 609664768 /nfs/dbraw/zinc/66/47/68/609664768.db2.gz NZXSMLQBLQYBIP-SHARSMKWSA-N 1 2 342.461 0.735 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)C2CCC(C(=O)OC)CC2)C1 ZINC000919875086 609664769 /nfs/dbraw/zinc/66/47/69/609664769.db2.gz NZXSMLQBLQYBIP-SHARSMKWSA-N 1 2 342.461 0.735 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1F)[C@H]1C[N@H+](C)CCN1C ZINC000919998978 609669646 /nfs/dbraw/zinc/66/96/46/609669646.db2.gz DHYHRUWVZRIWPQ-BXUZGUMPSA-N 1 2 340.424 0.610 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1F)[C@H]1C[N@@H+](C)CCN1C ZINC000919998978 609669647 /nfs/dbraw/zinc/66/96/47/609669647.db2.gz DHYHRUWVZRIWPQ-BXUZGUMPSA-N 1 2 340.424 0.610 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(C3CCOCC3)n2CCOC)CC1 ZINC000909120869 609678007 /nfs/dbraw/zinc/67/80/07/609678007.db2.gz JTMYLVGSVIRVGU-UHFFFAOYSA-N 1 2 333.436 0.574 20 30 ECEDLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCC#CCO)C2)c1 ZINC000923762031 609697377 /nfs/dbraw/zinc/69/73/77/609697377.db2.gz ZNVBDCJKULAGGL-KRWDZBQOSA-N 1 2 331.416 0.491 20 30 ECEDLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NCC#CCO)C2)c1 ZINC000923762031 609697378 /nfs/dbraw/zinc/69/73/78/609697378.db2.gz ZNVBDCJKULAGGL-KRWDZBQOSA-N 1 2 331.416 0.491 20 30 ECEDLO C[NH+](C)Cc1csc(CNS(=O)(=O)c2ccc(C#N)nc2)n1 ZINC000921105497 609698217 /nfs/dbraw/zinc/69/82/17/609698217.db2.gz UCMMRNRTRUQOJO-UHFFFAOYSA-N 1 2 337.430 0.950 20 30 ECEDLO C#CC[NH+]1CCC(NC(=O)Cc2ccccc2S(C)(=O)=O)CC1 ZINC000928653546 611707530 /nfs/dbraw/zinc/70/75/30/611707530.db2.gz PTZLQHLKXKWUJB-UHFFFAOYSA-N 1 2 334.441 0.846 20 30 ECEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CCC2)[C@H]([C@H]2CCCO2)C1 ZINC000933185040 611713701 /nfs/dbraw/zinc/71/37/01/611713701.db2.gz ZZQSNFPMIXIHGT-QLFBSQMISA-N 1 2 349.431 0.981 20 30 ECEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CCC2)[C@H]([C@H]2CCCO2)C1 ZINC000933185040 611713703 /nfs/dbraw/zinc/71/37/03/611713703.db2.gz ZZQSNFPMIXIHGT-QLFBSQMISA-N 1 2 349.431 0.981 20 30 ECEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CCC2)[C@@H]([C@@H]2CCCO2)C1 ZINC000933185039 611714073 /nfs/dbraw/zinc/71/40/73/611714073.db2.gz ZZQSNFPMIXIHGT-KFWWJZLASA-N 1 2 349.431 0.981 20 30 ECEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CCC2)[C@@H]([C@@H]2CCCO2)C1 ZINC000933185039 611714077 /nfs/dbraw/zinc/71/40/77/611714077.db2.gz ZZQSNFPMIXIHGT-KFWWJZLASA-N 1 2 349.431 0.981 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3COCO3)CC2)cc1 ZINC000923856838 609891953 /nfs/dbraw/zinc/89/19/53/609891953.db2.gz QBSZRZMNWAJYQA-MRXNPFEDSA-N 1 2 330.388 0.758 20 30 ECEDLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1csc(C#N)c1 ZINC000916417227 609939327 /nfs/dbraw/zinc/93/93/27/609939327.db2.gz PDJFLIOJYSSURM-RYUDHWBXSA-N 1 2 343.474 0.836 20 30 ECEDLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1csc(C#N)c1 ZINC000916417227 609939328 /nfs/dbraw/zinc/93/93/28/609939328.db2.gz PDJFLIOJYSSURM-RYUDHWBXSA-N 1 2 343.474 0.836 20 30 ECEDLO C=CCc1ccc(OCC(=O)N2CC[N@H+](C)C[C@H]2CO)c(OC)c1 ZINC000912750200 610001275 /nfs/dbraw/zinc/00/12/75/610001275.db2.gz WBAFLZVKTQPAPR-HNNXBMFYSA-N 1 2 334.416 0.937 20 30 ECEDLO C=CCc1ccc(OCC(=O)N2CC[N@@H+](C)C[C@H]2CO)c(OC)c1 ZINC000912750200 610001278 /nfs/dbraw/zinc/00/12/78/610001278.db2.gz WBAFLZVKTQPAPR-HNNXBMFYSA-N 1 2 334.416 0.937 20 30 ECEDLO N#Cc1ccc([C@@H](O)C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)cc1 ZINC000912897023 610018223 /nfs/dbraw/zinc/01/82/23/610018223.db2.gz QOHHIRKROOGDSR-OAHLLOKOSA-N 1 2 331.372 0.157 20 30 ECEDLO N#Cc1ccc([C@@H](O)C(=O)NCC[N@H+]2CCC3(C2)OCCO3)cc1 ZINC000912897023 610018226 /nfs/dbraw/zinc/01/82/26/610018226.db2.gz QOHHIRKROOGDSR-OAHLLOKOSA-N 1 2 331.372 0.157 20 30 ECEDLO C#CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000918906296 610023199 /nfs/dbraw/zinc/02/31/99/610023199.db2.gz MJWSMPSONSOBKU-KRWDZBQOSA-N 1 2 347.507 0.552 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3)C2)cn1 ZINC000938968896 610058700 /nfs/dbraw/zinc/05/87/00/610058700.db2.gz PXVXRWWFOSDAKV-MRXNPFEDSA-N 1 2 337.383 0.633 20 30 ECEDLO NC(=NOCC(=O)N1CCCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181846264 610182793 /nfs/dbraw/zinc/18/27/93/610182793.db2.gz CFYGTIHFKBXJSC-INIZCTEOSA-N 1 2 346.431 0.799 20 30 ECEDLO NC(=NOCC(=O)N1CCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181846264 610182794 /nfs/dbraw/zinc/18/27/94/610182794.db2.gz CFYGTIHFKBXJSC-INIZCTEOSA-N 1 2 346.431 0.799 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3csc([C@@H](C)OC)n3)CC2)C1 ZINC000941411029 610301946 /nfs/dbraw/zinc/30/19/46/610301946.db2.gz RXZZYEYAEOTOJV-CYBMUJFWSA-N 1 2 348.472 0.926 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCc4cn[nH]c43)CC2)C1 ZINC000941411322 610302363 /nfs/dbraw/zinc/30/23/63/610302363.db2.gz ZEDKIQBFKKMHGR-KRWDZBQOSA-N 1 2 341.459 0.681 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000941444879 610309702 /nfs/dbraw/zinc/30/97/02/610309702.db2.gz DNAMDTVYMWTRPS-ZIAGYGMSSA-N 1 2 329.404 0.666 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCO[C@@H]3C(C)C)CC2)C1 ZINC000941433470 610313478 /nfs/dbraw/zinc/31/34/78/610313478.db2.gz WRVOSIAIIKECHJ-QZTJIDSGSA-N 1 2 333.476 0.899 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3sc4nccn4c3C)CC2)C1 ZINC000941440193 610316363 /nfs/dbraw/zinc/31/63/63/610316363.db2.gz CBJOVVFPCHAUGT-UHFFFAOYSA-N 1 2 343.456 0.779 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnn(C(C)(C)C)c3)CC2)C1 ZINC000941471301 610329856 /nfs/dbraw/zinc/32/98/56/610329856.db2.gz WMIWRVBGTMKJBO-UHFFFAOYSA-N 1 2 329.448 0.713 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ncoc3C(F)(F)F)CC2)C1 ZINC000941464764 610333571 /nfs/dbraw/zinc/33/35/71/610333571.db2.gz KNVGTDNZEJJGOO-UHFFFAOYSA-N 1 2 342.321 0.769 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3cccc(OCC)n3)CC2)C1 ZINC000941496430 610343043 /nfs/dbraw/zinc/34/30/43/610343043.db2.gz UKVNJPHOBFSKJN-UHFFFAOYSA-N 1 2 342.443 0.484 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3(C4CC4)CCOCC3)CC2)C1 ZINC000941502834 610346039 /nfs/dbraw/zinc/34/60/39/610346039.db2.gz XTDLNPOXLRGQMD-UHFFFAOYSA-N 1 2 331.460 0.655 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c(C)cc(C)[nH]c3=O)CC2)C1 ZINC000941509266 610349515 /nfs/dbraw/zinc/34/95/15/610349515.db2.gz BOFAEBGIXUWXET-UHFFFAOYSA-N 1 2 328.416 0.479 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCN(C2C[NH+]([C@H]3CCCNC3=O)C2)CC1 ZINC000941516107 610353783 /nfs/dbraw/zinc/35/37/83/610353783.db2.gz LSZATOXICPRCLR-HNNXBMFYSA-N 1 2 334.464 0.306 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(C)nc(OC)c3)CC2)C1 ZINC000941537980 610357445 /nfs/dbraw/zinc/35/74/45/610357445.db2.gz RXPLPZTVUZKVSG-UHFFFAOYSA-N 1 2 328.416 0.474 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccnc(C4CC4)n3)CC2)C1 ZINC000941593550 610388920 /nfs/dbraw/zinc/38/89/20/610388920.db2.gz QZVTWJBFWNXQEH-UHFFFAOYSA-N 1 2 325.416 0.429 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)C(=O)N3[C@@H](C)CCC[C@@H]3C)CC2)C1 ZINC000941615306 610410889 /nfs/dbraw/zinc/41/08/89/610410889.db2.gz WOZHBRNPFMKAJA-HOTGVXAUSA-N 1 2 346.475 0.238 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnn4c3CCCC4)CC2)C1 ZINC000941632933 610419092 /nfs/dbraw/zinc/41/90/92/610419092.db2.gz WUWLNKNQPCYISZ-UHFFFAOYSA-N 1 2 327.432 0.295 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4n[nH]cc4C3)CC2)C1 ZINC000941639704 610424575 /nfs/dbraw/zinc/42/45/75/610424575.db2.gz WHESHSLBIBITCE-HNNXBMFYSA-N 1 2 341.459 0.366 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)c1 ZINC000942368964 610425298 /nfs/dbraw/zinc/42/52/98/610425298.db2.gz AZGOBYRJZDNKJS-OAHLLOKOSA-N 1 2 337.383 0.750 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3[nH]nc4ccccc43)CC2)C1 ZINC000941674480 610447744 /nfs/dbraw/zinc/44/77/44/610447744.db2.gz COVLCGCMNOEEKE-UHFFFAOYSA-N 1 2 337.427 0.567 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC34CCOCC4)CC2)C1 ZINC000941693231 610466853 /nfs/dbraw/zinc/46/68/53/610466853.db2.gz SJUSMHAOGXFQPI-KRWDZBQOSA-N 1 2 331.460 0.655 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)CC)C[C@H]1OC ZINC000942516784 610495658 /nfs/dbraw/zinc/49/56/58/610495658.db2.gz VDAFJUJTUMJBJN-OWCLPIDISA-N 1 2 349.475 0.862 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)CC)C[C@H]1OC ZINC000942516784 610495659 /nfs/dbraw/zinc/49/56/59/610495659.db2.gz VDAFJUJTUMJBJN-OWCLPIDISA-N 1 2 349.475 0.862 20 30 ECEDLO CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000942593195 610527417 /nfs/dbraw/zinc/52/74/17/610527417.db2.gz YPPBMWZAFWLHJU-VCTAVGKDSA-N 1 2 341.371 0.678 20 30 ECEDLO Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](C)C2)[nH]1 ZINC000941962282 610585066 /nfs/dbraw/zinc/58/50/66/610585066.db2.gz DAWJCQZCEHWZAM-IINYFYTJSA-N 1 2 327.392 0.953 20 30 ECEDLO Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](C)C2)[nH]1 ZINC000941962282 610585068 /nfs/dbraw/zinc/58/50/68/610585068.db2.gz DAWJCQZCEHWZAM-IINYFYTJSA-N 1 2 327.392 0.953 20 30 ECEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000942729941 610589055 /nfs/dbraw/zinc/58/90/55/610589055.db2.gz YKISLAILOQINJQ-AWEZNQCLSA-N 1 2 340.387 0.846 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000941211462 610598124 /nfs/dbraw/zinc/59/81/24/610598124.db2.gz ARGJEJAPUVCAAY-CVEARBPZSA-N 1 2 346.431 0.994 20 30 ECEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000942751333 610598701 /nfs/dbraw/zinc/59/87/01/610598701.db2.gz DVGKVBSJDFGNPY-OAHLLOKOSA-N 1 2 340.387 0.915 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000941308770 610660146 /nfs/dbraw/zinc/66/01/46/610660146.db2.gz DFZPXSWCMYAXRH-VYDXJSESSA-N 1 2 346.431 0.972 20 30 ECEDLO Cc1nc(CC[NH+]2CC(N3CCN(C(=O)[C@H](C)C#N)CC3)C2)cs1 ZINC000941348351 610685131 /nfs/dbraw/zinc/68/51/31/610685131.db2.gz MEYYMLMRZCAZTH-CYBMUJFWSA-N 1 2 347.488 0.982 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)Cc2c[nH+]c[nH]2)nc1 ZINC000944328223 610838673 /nfs/dbraw/zinc/83/86/73/610838673.db2.gz BVHZFWBHRNXHLO-OAHLLOKOSA-N 1 2 337.383 0.750 20 30 ECEDLO N#Cc1cc(C(=O)N2CCCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c[nH]1 ZINC000943477194 610866557 /nfs/dbraw/zinc/86/65/57/610866557.db2.gz KBMIAOAYNJAHNS-ZDUSSCGKSA-N 1 2 340.387 0.963 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)CCc1c[nH+]cn1C)CC2 ZINC000945003846 610877029 /nfs/dbraw/zinc/87/70/29/610877029.db2.gz UUYOMPAFOMCZOI-AWEZNQCLSA-N 1 2 343.431 0.963 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cnon3)C[C@H]2C)nn1 ZINC000943499745 610884705 /nfs/dbraw/zinc/88/47/05/610884705.db2.gz UNSAQLBPNHKALT-OCCSQVGLSA-N 1 2 345.407 0.878 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cnon3)C[C@H]2C)nn1 ZINC000943499745 610884707 /nfs/dbraw/zinc/88/47/07/610884707.db2.gz UNSAQLBPNHKALT-OCCSQVGLSA-N 1 2 345.407 0.878 20 30 ECEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000945272302 610987634 /nfs/dbraw/zinc/98/76/34/610987634.db2.gz AJPPUDUEJVDMQV-BXUZGUMPSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000945280115 610995222 /nfs/dbraw/zinc/99/52/22/610995222.db2.gz WOSGSRWMEDXOTM-AAEUAGOBSA-N 1 2 340.387 0.819 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]2[C@H](CCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000945941020 611162382 /nfs/dbraw/zinc/16/23/82/611162382.db2.gz BGQXIDURTMXAPN-GDBMZVCRSA-N 1 2 326.400 0.815 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2[C@H](CCN2C(=O)C#CC2CC2)C1 ZINC000945991759 611184293 /nfs/dbraw/zinc/18/42/93/611184293.db2.gz JEJFIDPCPZAGHG-NVXWUHKLSA-N 1 2 340.427 0.825 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)Cc2[nH]cc[nH+]2)c[nH]1 ZINC000946296478 611202028 /nfs/dbraw/zinc/20/20/28/611202028.db2.gz YRTJTYBRFYOAAV-RISCZKNCSA-N 1 2 340.387 0.867 20 30 ECEDLO Nc1ccc2c(c1)CCC2=[NH+]NC(=S)NCCN1CCOCC1 ZINC000834921389 611305536 /nfs/dbraw/zinc/30/55/36/611305536.db2.gz ZPEVKEWAPLADQK-UHFFFAOYSA-N 1 2 333.461 0.715 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000950802955 611915040 /nfs/dbraw/zinc/91/50/40/611915040.db2.gz KQYCYVLVFYGVCN-FPCVCCKLSA-N 1 2 346.431 0.827 20 30 ECEDLO CCN1CC[C@@H]([N@@H+]2CCOC3(CCN(C(=O)[C@@H](C)C#N)CC3)C2)C1=O ZINC000949320630 611938233 /nfs/dbraw/zinc/93/82/33/611938233.db2.gz QSKDKBNRBDZWMF-LSDHHAIUSA-N 1 2 348.447 0.460 20 30 ECEDLO CCN1CC[C@@H]([N@H+]2CCOC3(CCN(C(=O)[C@@H](C)C#N)CC3)C2)C1=O ZINC000949320630 611938234 /nfs/dbraw/zinc/93/82/34/611938234.db2.gz QSKDKBNRBDZWMF-LSDHHAIUSA-N 1 2 348.447 0.460 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CC1)C[N@H+](CC(=O)N1CCCC1)CCO2 ZINC000949320944 611938247 /nfs/dbraw/zinc/93/82/47/611938247.db2.gz XMEPOOKNEYZDJK-OAHLLOKOSA-N 1 2 348.447 0.462 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CC1)C[N@@H+](CC(=O)N1CCCC1)CCO2 ZINC000949320944 611938248 /nfs/dbraw/zinc/93/82/48/611938248.db2.gz XMEPOOKNEYZDJK-OAHLLOKOSA-N 1 2 348.447 0.462 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCc4nccn4C3)CC2)C1 ZINC000949401400 611966091 /nfs/dbraw/zinc/96/60/91/611966091.db2.gz BFBSNIFVABBUJT-INIZCTEOSA-N 1 2 342.443 0.772 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCc4nccn4C3)CC2)C1 ZINC000949401400 611966092 /nfs/dbraw/zinc/96/60/92/611966092.db2.gz BFBSNIFVABBUJT-INIZCTEOSA-N 1 2 342.443 0.772 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc(C(N)=O)o3)CC2)C1 ZINC000949412220 611969706 /nfs/dbraw/zinc/96/97/06/611969706.db2.gz SWACFELLSMRMSN-UHFFFAOYSA-N 1 2 331.372 0.319 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccc(C(N)=O)o3)CC2)C1 ZINC000949412220 611969710 /nfs/dbraw/zinc/96/97/10/611969710.db2.gz SWACFELLSMRMSN-UHFFFAOYSA-N 1 2 331.372 0.319 20 30 ECEDLO C#CCC[N@@H+]1CCOC2(CCN(C(=O)CCc3cnn[nH]3)CC2)C1 ZINC000949474719 611993510 /nfs/dbraw/zinc/99/35/10/611993510.db2.gz JFLCKKMZZSFNDA-UHFFFAOYSA-N 1 2 331.420 0.454 20 30 ECEDLO C#CCC[N@H+]1CCOC2(CCN(C(=O)CCc3cnn[nH]3)CC2)C1 ZINC000949474719 611993513 /nfs/dbraw/zinc/99/35/13/611993513.db2.gz JFLCKKMZZSFNDA-UHFFFAOYSA-N 1 2 331.420 0.454 20 30 ECEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)cc1 ZINC000950531126 612057063 /nfs/dbraw/zinc/05/70/63/612057063.db2.gz HQWZAUDLKRIYAT-CVEARBPZSA-N 1 2 342.399 0.355 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)nc1 ZINC000951376632 612192746 /nfs/dbraw/zinc/19/27/46/612192746.db2.gz HUXLHQYZYVKOGU-RBSFLKMASA-N 1 2 349.394 0.920 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)nc1 ZINC000951376632 612192747 /nfs/dbraw/zinc/19/27/47/612192747.db2.gz HUXLHQYZYVKOGU-RBSFLKMASA-N 1 2 349.394 0.920 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000952151896 612250850 /nfs/dbraw/zinc/25/08/50/612250850.db2.gz WLGMSAYLRRKMSY-CFVMTHIKSA-N 1 2 332.404 0.651 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000952174562 612264623 /nfs/dbraw/zinc/26/46/23/612264623.db2.gz NQSFRGHTEJXXNY-NFAWXSAZSA-N 1 2 332.404 0.569 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000953847427 612348461 /nfs/dbraw/zinc/34/84/61/612348461.db2.gz ZOSCHZCOMUVPHL-UHFFFAOYSA-N 1 2 340.387 0.915 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000953883475 612390305 /nfs/dbraw/zinc/39/03/05/612390305.db2.gz OBTOIMHMEMZASY-UHFFFAOYSA-N 1 2 340.387 0.915 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)C1CN(C(=O)[C@@H](C)C#N)C1)C2 ZINC000954609013 612447313 /nfs/dbraw/zinc/44/73/13/612447313.db2.gz OPBNGVWGOLGZCT-CMPLNLGQSA-N 1 2 329.404 0.652 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)C1CN(C(=O)[C@@H](C)C#N)C1)CC2 ZINC000954609013 612447316 /nfs/dbraw/zinc/44/73/16/612447316.db2.gz OPBNGVWGOLGZCT-CMPLNLGQSA-N 1 2 329.404 0.652 20 30 ECEDLO O=C(C#CC1CC1)N1[C@@H]2CC[C@H]1CN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC000952538109 612491766 /nfs/dbraw/zinc/49/17/66/612491766.db2.gz LSZJEOSZXGNZNY-CABCVRRESA-N 1 2 326.400 0.958 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000955364671 612502959 /nfs/dbraw/zinc/50/29/59/612502959.db2.gz PUBDBZOWBAGPCZ-KGLIPLIRSA-N 1 2 332.404 0.603 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+](CCN2CCNC2=O)C1 ZINC000951785281 612610434 /nfs/dbraw/zinc/61/04/34/612610434.db2.gz HCEGTLRJMJFVSP-CABCVRRESA-N 1 2 336.436 0.135 20 30 ECEDLO C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000956841933 612615064 /nfs/dbraw/zinc/61/50/64/612615064.db2.gz UGQVSLKYHGENTN-KRWDZBQOSA-N 1 2 340.387 0.963 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC000954088473 612647090 /nfs/dbraw/zinc/64/70/90/612647090.db2.gz MNFNRKIEMNDSHE-LLVKDONJSA-N 1 2 340.387 0.771 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC000954088473 612647092 /nfs/dbraw/zinc/64/70/92/612647092.db2.gz MNFNRKIEMNDSHE-LLVKDONJSA-N 1 2 340.387 0.771 20 30 ECEDLO CN(C(=O)C(C)(C)[NH+]1CCOCC1)C1CN(C(=O)C#CC2CC2)C1 ZINC000954780386 612679027 /nfs/dbraw/zinc/67/90/27/612679027.db2.gz APYVEGFIXCWCIR-UHFFFAOYSA-N 1 2 333.432 0.180 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000955613762 612708186 /nfs/dbraw/zinc/70/81/86/612708186.db2.gz PFCCPEBTPZWLLZ-JSGCOSHPSA-N 1 2 340.387 0.892 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)Cc3c[nH+]cn3C)C2)cn1 ZINC000954836951 612730468 /nfs/dbraw/zinc/73/04/68/612730468.db2.gz BKALUTHDHGJXQO-UHFFFAOYSA-N 1 2 337.383 0.322 20 30 ECEDLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000954973667 612830023 /nfs/dbraw/zinc/83/00/23/612830023.db2.gz WMIQQULHBQMQLB-UHFFFAOYSA-N 1 2 340.387 0.915 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000954404784 612894048 /nfs/dbraw/zinc/89/40/48/612894048.db2.gz MULIZJLBNRJHRY-CVEARBPZSA-N 1 2 346.431 0.993 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000954404784 612894049 /nfs/dbraw/zinc/89/40/49/612894049.db2.gz MULIZJLBNRJHRY-CVEARBPZSA-N 1 2 346.431 0.993 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)Cc3ccoc3)C2)CC1 ZINC000956605902 612924742 /nfs/dbraw/zinc/92/47/42/612924742.db2.gz NGXYLVOKQUFMKC-HOCLYGCPSA-N 1 2 344.415 0.727 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccn4nnnc34)C2)C1 ZINC000972394470 736115004 /nfs/dbraw/zinc/11/50/04/736115004.db2.gz IJOXFSHOGWPEHF-KRWDZBQOSA-N 1 2 340.387 0.065 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccn4nnnc34)C2)C1 ZINC000972394470 736115009 /nfs/dbraw/zinc/11/50/09/736115009.db2.gz IJOXFSHOGWPEHF-KRWDZBQOSA-N 1 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N#Cc1cccnc1N1CCO[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001104308191 734196212 /nfs/dbraw/zinc/19/62/12/734196212.db2.gz DHYGJXHOVRIIQK-CQSZACIVSA-N 1 2 340.387 0.631 20 30 ECEDLO N#Cc1cnc(N2CCO[C@H](CNC(=O)CCc3[nH]cc[nH+]3)C2)cn1 ZINC001104308346 734198523 /nfs/dbraw/zinc/19/85/23/734198523.db2.gz IQGJIAFLWYZBJH-CYBMUJFWSA-N 1 2 341.375 0.026 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NC[C@@H]1CN(c2ccc(C#N)cn2)CCO1 ZINC001104321807 734297646 /nfs/dbraw/zinc/29/76/46/734297646.db2.gz OQDQDGNUFROISR-OAHLLOKOSA-N 1 2 340.387 0.251 20 30 ECEDLO N#Cc1cncc(NCC2(O)CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC001067478758 734335128 /nfs/dbraw/zinc/33/51/28/734335128.db2.gz RONPAQHZJXUECK-UHFFFAOYSA-N 1 2 341.375 0.079 20 30 ECEDLO CC(C)(C(=O)N(CCO)CCNc1ccncc1C#N)c1c[nH+]c[nH]1 ZINC001111489010 734401010 /nfs/dbraw/zinc/40/10/10/734401010.db2.gz DYXGSCKKIPFXSM-UHFFFAOYSA-N 1 2 342.403 0.309 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N(CCO)CCNc1ncc(C#N)cc1F ZINC001111489245 734409315 /nfs/dbraw/zinc/40/93/15/734409315.db2.gz PJJJKVSOVRVWKC-UHFFFAOYSA-N 1 2 346.366 0.301 20 30 ECEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)C(C)(C)C#N ZINC001143398204 734875780 /nfs/dbraw/zinc/87/57/80/734875780.db2.gz CZBJDDAOSQTNTR-GUYCJALGSA-N 1 2 337.420 0.791 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)nc[nH]c3=O)C1 ZINC001078186591 782455445 /nfs/dbraw/zinc/45/54/45/782455445.db2.gz FEPUIUUGVCNUBX-HUUCEWRRSA-N 1 2 326.356 0.134 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)nc[nH]c3=O)C1 ZINC001078186591 782455435 /nfs/dbraw/zinc/45/54/35/782455435.db2.gz FEPUIUUGVCNUBX-HUUCEWRRSA-N 1 2 326.356 0.134 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4ccccc4O3)[C@H]2C1 ZINC001083226060 735131449 /nfs/dbraw/zinc/13/14/49/735131449.db2.gz DZCHNWFQUPFSAM-CGTJXYLNSA-N 1 2 326.396 0.925 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4ccccc4O3)[C@H]2C1 ZINC001083226060 735131452 /nfs/dbraw/zinc/13/14/52/735131452.db2.gz DZCHNWFQUPFSAM-CGTJXYLNSA-N 1 2 326.396 0.925 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CCC[C@H]3CC)[C@H]2C1 ZINC001083241702 735642570 /nfs/dbraw/zinc/64/25/70/735642570.db2.gz UWRBHGDOUOQVGK-OWCLPIDISA-N 1 2 333.432 0.322 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CCC[C@H]3CC)[C@H]2C1 ZINC001083241702 735642572 /nfs/dbraw/zinc/64/25/72/735642572.db2.gz UWRBHGDOUOQVGK-OWCLPIDISA-N 1 2 333.432 0.322 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972206984 735786484 /nfs/dbraw/zinc/78/64/84/735786484.db2.gz MLVPVEKVIICSDG-VHSXEESVSA-N 1 2 331.214 0.109 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972206984 735786485 /nfs/dbraw/zinc/78/64/85/735786485.db2.gz MLVPVEKVIICSDG-VHSXEESVSA-N 1 2 331.214 0.109 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)C3=NC(=O)N(C)C3)C2)C1=O ZINC000972246147 735834258 /nfs/dbraw/zinc/83/42/58/735834258.db2.gz OGVGDNGZXOYMDC-OCCSQVGLSA-N 1 2 347.419 0.059 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)C3=NC(=O)N(C)C3)C2)C1=O ZINC000972246147 735834262 /nfs/dbraw/zinc/83/42/62/735834262.db2.gz OGVGDNGZXOYMDC-OCCSQVGLSA-N 1 2 347.419 0.059 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)CCc3cnn[nH]3)C2)C1=O ZINC000972370509 736025251 /nfs/dbraw/zinc/02/52/51/736025251.db2.gz PWUWZZSCCKCMPD-CABCVRRESA-N 1 2 346.435 0.057 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)CCc3cnn[nH]3)C2)C1=O ZINC000972370509 736025257 /nfs/dbraw/zinc/02/52/57/736025257.db2.gz PWUWZZSCCKCMPD-CABCVRRESA-N 1 2 346.435 0.057 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc(N(C)C)cn3)C2)C1 ZINC000972381599 736045882 /nfs/dbraw/zinc/04/58/82/736045882.db2.gz RGWTTZMSIFQSRD-QGZVFWFLSA-N 1 2 331.420 0.646 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc(N(C)C)cn3)C2)C1 ZINC000972381599 736045885 /nfs/dbraw/zinc/04/58/85/736045885.db2.gz RGWTTZMSIFQSRD-QGZVFWFLSA-N 1 2 331.420 0.646 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)COc3c(C)nn(C)c3C)C2)C1 ZINC000972381322 736046006 /nfs/dbraw/zinc/04/60/06/736046006.db2.gz PIFHUZVSXZWQCF-SFHVURJKSA-N 1 2 348.447 0.905 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)COc3c(C)nn(C)c3C)C2)C1 ZINC000972381322 736046012 /nfs/dbraw/zinc/04/60/12/736046012.db2.gz PIFHUZVSXZWQCF-SFHVURJKSA-N 1 2 348.447 0.905 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCc4n[nH]cc43)C2)C1 ZINC000972386627 736056639 /nfs/dbraw/zinc/05/66/39/736056639.db2.gz FGWZFRLHDGJRAD-KBXCAEBGSA-N 1 2 328.416 0.766 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCc4n[nH]cc43)C2)C1 ZINC000972386627 736056641 /nfs/dbraw/zinc/05/66/41/736056641.db2.gz FGWZFRLHDGJRAD-KBXCAEBGSA-N 1 2 328.416 0.766 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CN3Cc4ccccc4C3=O)[C@H]2C1 ZINC001083251141 736101754 /nfs/dbraw/zinc/10/17/54/736101754.db2.gz CTVLMLVKTLBCPZ-DLBZAZTESA-N 1 2 339.395 0.187 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CN3Cc4ccccc4C3=O)[C@H]2C1 ZINC001083251141 736101759 /nfs/dbraw/zinc/10/17/59/736101759.db2.gz CTVLMLVKTLBCPZ-DLBZAZTESA-N 1 2 339.395 0.187 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CN3CCCCCCC3=O)C2)C1 ZINC000972404870 736129032 /nfs/dbraw/zinc/12/90/32/736129032.db2.gz AIOLQCBUPMPRBK-IBGZPJMESA-N 1 2 347.459 0.716 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CN3CCCCCCC3=O)C2)C1 ZINC000972404870 736129033 /nfs/dbraw/zinc/12/90/33/736129033.db2.gz AIOLQCBUPMPRBK-IBGZPJMESA-N 1 2 347.459 0.716 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc(C)nc3OC)C2)C1 ZINC000972404732 736133294 /nfs/dbraw/zinc/13/32/94/736133294.db2.gz IMXCYMKNKJCWGL-QGZVFWFLSA-N 1 2 332.404 0.897 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc(C)nc3OC)C2)C1 ZINC000972404732 736133298 /nfs/dbraw/zinc/13/32/98/736133298.db2.gz IMXCYMKNKJCWGL-QGZVFWFLSA-N 1 2 332.404 0.897 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3cnn4ccccc34)C2)C1 ZINC000972413620 736149637 /nfs/dbraw/zinc/14/96/37/736149637.db2.gz NSXNFPYGXKSXQU-IBGZPJMESA-N 1 2 338.411 0.813 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cnn4ccccc34)C2)C1 ZINC000972413620 736149640 /nfs/dbraw/zinc/14/96/40/736149640.db2.gz NSXNFPYGXKSXQU-IBGZPJMESA-N 1 2 338.411 0.813 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(OCC)n[nH]3)C2)C1 ZINC000972424612 736171826 /nfs/dbraw/zinc/17/18/26/736171826.db2.gz KLYSHKVIHBAMCM-QGZVFWFLSA-N 1 2 332.404 0.749 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(OCC)n[nH]3)C2)C1 ZINC000972424612 736171828 /nfs/dbraw/zinc/17/18/28/736171828.db2.gz KLYSHKVIHBAMCM-QGZVFWFLSA-N 1 2 332.404 0.749 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCn4ccnc4C3)C2)C1 ZINC000972440407 736197142 /nfs/dbraw/zinc/19/71/42/736197142.db2.gz FNQBVNAYFRBOCN-MAUKXSAKSA-N 1 2 330.432 0.935 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCn4ccnc4C3)C2)C1 ZINC000972440407 736197144 /nfs/dbraw/zinc/19/71/44/736197144.db2.gz FNQBVNAYFRBOCN-MAUKXSAKSA-N 1 2 330.432 0.935 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CCC(C(N)=O)CC3)C2)C1 ZINC000972444497 736213929 /nfs/dbraw/zinc/21/39/29/736213929.db2.gz SVWFHLTVOSNPME-JTTJXQCZSA-N 1 2 335.448 0.767 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CCC(C(N)=O)CC3)C2)C1 ZINC000972444497 736213931 /nfs/dbraw/zinc/21/39/31/736213931.db2.gz SVWFHLTVOSNPME-JTTJXQCZSA-N 1 2 335.448 0.767 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)C2)C1 ZINC000972455624 736242338 /nfs/dbraw/zinc/24/23/38/736242338.db2.gz FXBJTHOMHHLEOH-SJLPKXTDSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)C2)C1 ZINC000972455624 736242342 /nfs/dbraw/zinc/24/23/42/736242342.db2.gz FXBJTHOMHHLEOH-SJLPKXTDSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nc(C)nn4C3)C2)C1 ZINC000972478973 736300848 /nfs/dbraw/zinc/30/08/48/736300848.db2.gz NLBXEVKAOVLMSW-QAPCUYQASA-N 1 2 343.431 0.085 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nc(C)nn4C3)C2)C1 ZINC000972478973 736300852 /nfs/dbraw/zinc/30/08/52/736300852.db2.gz NLBXEVKAOVLMSW-QAPCUYQASA-N 1 2 343.431 0.085 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nc(C)nn4C3)C2)C1 ZINC000972479285 736301739 /nfs/dbraw/zinc/30/17/39/736301739.db2.gz SWVQLLJQUASVPK-CRAIPNDOSA-N 1 2 345.447 0.638 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nc(C)nn4C3)C2)C1 ZINC000972479285 736301743 /nfs/dbraw/zinc/30/17/43/736301743.db2.gz SWVQLLJQUASVPK-CRAIPNDOSA-N 1 2 345.447 0.638 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCn3nc(C)cc3C)C2)C1 ZINC000972482827 736313968 /nfs/dbraw/zinc/31/39/68/736313968.db2.gz CTUOBTPJVUMJEK-GOSISDBHSA-N 1 2 330.432 0.827 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCn3nc(C)cc3C)C2)C1 ZINC000972482827 736313969 /nfs/dbraw/zinc/31/39/69/736313969.db2.gz CTUOBTPJVUMJEK-GOSISDBHSA-N 1 2 330.432 0.827 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 ZINC000972491019 736365593 /nfs/dbraw/zinc/36/55/93/736365593.db2.gz XCXVMFPJEPRNNY-IBGZPJMESA-N 1 2 344.459 0.906 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 ZINC000972491019 736365596 /nfs/dbraw/zinc/36/55/96/736365596.db2.gz XCXVMFPJEPRNNY-IBGZPJMESA-N 1 2 344.459 0.906 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC000972517012 736527387 /nfs/dbraw/zinc/52/73/87/736527387.db2.gz CDGUEAYBXADWJK-MJGOQNOKSA-N 1 2 349.475 0.422 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC000972517012 736527390 /nfs/dbraw/zinc/52/73/90/736527390.db2.gz CDGUEAYBXADWJK-MJGOQNOKSA-N 1 2 349.475 0.422 20 30 ECEDLO C#CCCN1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC000972517012 736527392 /nfs/dbraw/zinc/52/73/92/736527392.db2.gz CDGUEAYBXADWJK-MJGOQNOKSA-N 1 2 349.475 0.422 20 30 ECEDLO C#CCCN1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC000972517012 736527393 /nfs/dbraw/zinc/52/73/93/736527393.db2.gz CDGUEAYBXADWJK-MJGOQNOKSA-N 1 2 349.475 0.422 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023296292 736655680 /nfs/dbraw/zinc/65/56/80/736655680.db2.gz UPGAWPLGQHPPIH-RYUDHWBXSA-N 1 2 342.407 0.613 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@H+]1CCC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023296292 736655681 /nfs/dbraw/zinc/65/56/81/736655681.db2.gz UPGAWPLGQHPPIH-RYUDHWBXSA-N 1 2 342.407 0.613 20 30 ECEDLO C[C@H](c1nnnn1C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023296290 736655691 /nfs/dbraw/zinc/65/56/91/736655691.db2.gz UPGAWPLGQHPPIH-NEPJUHHUSA-N 1 2 342.407 0.613 20 30 ECEDLO C[C@H](c1nnnn1C)[N@H+]1CCC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023296290 736655692 /nfs/dbraw/zinc/65/56/92/736655692.db2.gz UPGAWPLGQHPPIH-NEPJUHHUSA-N 1 2 342.407 0.613 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)Cc3cnn(C)c3)C2)C1 ZINC000972617564 737108707 /nfs/dbraw/zinc/10/87/07/737108707.db2.gz QIQBMFWBPSZOHA-YJBOKZPZSA-N 1 2 330.432 0.535 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)Cc3cnn(C)c3)C2)C1 ZINC000972617564 737108709 /nfs/dbraw/zinc/10/87/09/737108709.db2.gz QIQBMFWBPSZOHA-YJBOKZPZSA-N 1 2 330.432 0.535 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)C2)C1 ZINC000972631067 737165774 /nfs/dbraw/zinc/16/57/74/737165774.db2.gz JSNVVFYYDOGFND-CRAIPNDOSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)C2)C1 ZINC000972631067 737165780 /nfs/dbraw/zinc/16/57/80/737165780.db2.gz JSNVVFYYDOGFND-CRAIPNDOSA-N 1 2 333.432 0.181 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 ZINC000972633338 737172730 /nfs/dbraw/zinc/17/27/30/737172730.db2.gz CGZCTWMTFIPZHO-LJQANCHMSA-N 1 2 342.443 0.849 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 ZINC000972633338 737172731 /nfs/dbraw/zinc/17/27/31/737172731.db2.gz CGZCTWMTFIPZHO-LJQANCHMSA-N 1 2 342.443 0.849 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cncc(C(N)=O)c3)C2)C1 ZINC000972675835 737348891 /nfs/dbraw/zinc/34/88/91/737348891.db2.gz DUZRGSCUZLPTFO-SFHVURJKSA-N 1 2 342.399 0.121 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cncc(C(N)=O)c3)C2)C1 ZINC000972675835 737348894 /nfs/dbraw/zinc/34/88/94/737348894.db2.gz DUZRGSCUZLPTFO-SFHVURJKSA-N 1 2 342.399 0.121 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3c(C)c(C)sc3=O)C2)C1 ZINC000972688336 737382992 /nfs/dbraw/zinc/38/29/92/737382992.db2.gz NYLJSTSGFGUKMY-QGZVFWFLSA-N 1 2 349.456 0.463 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3c(C)c(C)sc3=O)C2)C1 ZINC000972688336 737382995 /nfs/dbraw/zinc/38/29/95/737382995.db2.gz NYLJSTSGFGUKMY-QGZVFWFLSA-N 1 2 349.456 0.463 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3nn(CC)nc3C)C2)C1 ZINC000972702289 737484944 /nfs/dbraw/zinc/48/49/44/737484944.db2.gz JAMXTSMICQKUHC-KRWDZBQOSA-N 1 2 331.420 0.547 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3nn(CC)nc3C)C2)C1 ZINC000972702289 737484949 /nfs/dbraw/zinc/48/49/49/737484949.db2.gz JAMXTSMICQKUHC-KRWDZBQOSA-N 1 2 331.420 0.547 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001024346776 737912443 /nfs/dbraw/zinc/91/24/43/737912443.db2.gz FOYHWHQQQGGFGY-MGPQQGTHSA-N 1 2 346.431 0.346 20 30 ECEDLO Cc1nsc(NCCN(CCO)C(=O)Cc2[nH]c[nH+]c2C)c1C#N ZINC001111492758 738138708 /nfs/dbraw/zinc/13/87/08/738138708.db2.gz OJMFWYAUKKISSC-UHFFFAOYSA-N 1 2 348.432 0.830 20 30 ECEDLO Cn1nnc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccc(C#N)s2)n1 ZINC001024607996 738161719 /nfs/dbraw/zinc/16/17/19/738161719.db2.gz LLJAFYCQOOJYOD-LLVKDONJSA-N 1 2 345.432 0.928 20 30 ECEDLO Cn1nnc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccc(C#N)s2)n1 ZINC001024607996 738161721 /nfs/dbraw/zinc/16/17/21/738161721.db2.gz LLJAFYCQOOJYOD-LLVKDONJSA-N 1 2 345.432 0.928 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(NC(N)=O)c3)[C@H]2C1 ZINC001083270777 738195493 /nfs/dbraw/zinc/19/54/93/738195493.db2.gz ZBGIFVBFTKDKSY-JKSUJKDBSA-N 1 2 342.399 0.726 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(NC(N)=O)c3)[C@H]2C1 ZINC001083270777 738195494 /nfs/dbraw/zinc/19/54/94/738195494.db2.gz ZBGIFVBFTKDKSY-JKSUJKDBSA-N 1 2 342.399 0.726 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CCCC[N@H+]2CC(=O)NC)nn1 ZINC001024698573 738228796 /nfs/dbraw/zinc/22/87/96/738228796.db2.gz KNCAIHOFVDQHDU-CYBMUJFWSA-N 1 2 334.424 0.185 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(=O)NC)nn1 ZINC001024698573 738228799 /nfs/dbraw/zinc/22/87/99/738228799.db2.gz KNCAIHOFVDQHDU-CYBMUJFWSA-N 1 2 334.424 0.185 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2csc(=O)[nH]2)[C@@H](n2ccnn2)C1 ZINC001069999770 790295809 /nfs/dbraw/zinc/29/58/09/790295809.db2.gz TWYQFMMXHGRRGJ-PWSUYJOCSA-N 1 2 332.389 0.119 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2csc(=O)[nH]2)[C@@H](n2ccnn2)C1 ZINC001069999770 790295813 /nfs/dbraw/zinc/29/58/13/790295813.db2.gz TWYQFMMXHGRRGJ-PWSUYJOCSA-N 1 2 332.389 0.119 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H](NC(=O)Cc3c[nH+]cn3C)C2)c1 ZINC000973467498 739339544 /nfs/dbraw/zinc/33/95/44/739339544.db2.gz ZEZWLKPKWHMWLL-SHTZXODSSA-N 1 2 337.383 0.416 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C3CCN(C(=O)CCC)CC3)[C@H]2C1 ZINC001083282342 739583493 /nfs/dbraw/zinc/58/34/93/739583493.db2.gz YPTJSZGJGSWBID-DLBZAZTESA-N 1 2 347.459 0.570 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C3CCN(C(=O)CCC)CC3)[C@H]2C1 ZINC001083282342 739583497 /nfs/dbraw/zinc/58/34/97/739583497.db2.gz YPTJSZGJGSWBID-DLBZAZTESA-N 1 2 347.459 0.570 20 30 ECEDLO N#Cc1cncc(N2CCC3(C[C@@H]3NC(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001058637826 739632200 /nfs/dbraw/zinc/63/22/00/739632200.db2.gz FDXVFVGCDHOPRO-AWEZNQCLSA-N 1 2 337.387 0.720 20 30 ECEDLO N#Cc1cncc(N2CCC3(C[C@@H]3NC(=O)Cc3c[nH]c[nH+]3)CC2)n1 ZINC001058650328 739777569 /nfs/dbraw/zinc/77/75/69/739777569.db2.gz KUPNHZPBRAMUCL-AWEZNQCLSA-N 1 2 337.387 0.789 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1c1cnc(C#N)cn1 ZINC001067541915 741033304 /nfs/dbraw/zinc/03/33/04/741033304.db2.gz FQFBDUNZQCDMTQ-STQMWFEESA-N 1 2 339.403 0.798 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3Cc4cccc(C)c4O3)[C@H]2C1 ZINC001083295226 741077089 /nfs/dbraw/zinc/07/70/89/741077089.db2.gz NBUCOIRLZDQKBN-GVDBMIGSSA-N 1 2 326.396 0.843 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3Cc4cccc(C)c4O3)[C@H]2C1 ZINC001083295226 741077095 /nfs/dbraw/zinc/07/70/95/741077095.db2.gz NBUCOIRLZDQKBN-GVDBMIGSSA-N 1 2 326.396 0.843 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nc1 ZINC000974271753 741207364 /nfs/dbraw/zinc/20/73/64/741207364.db2.gz VEDCVUGAFROBAG-LXTVHRRPSA-N 1 2 349.394 0.967 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nc1 ZINC000974271753 741207368 /nfs/dbraw/zinc/20/73/68/741207368.db2.gz VEDCVUGAFROBAG-LXTVHRRPSA-N 1 2 349.394 0.967 20 30 ECEDLO COCC(=O)N1CC(n2cc(C[NH2+]CC#Cc3ccccc3)nn2)C1 ZINC001105121914 741391762 /nfs/dbraw/zinc/39/17/62/741391762.db2.gz ZRRWPNCEEGAGBI-UHFFFAOYSA-N 1 2 339.399 0.449 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)C=C(C)C)C2)nn1 ZINC001105142930 741417348 /nfs/dbraw/zinc/41/73/48/741417348.db2.gz XQEAJSHNJSJDOP-CYBMUJFWSA-N 1 2 346.435 0.408 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[N@@H+]([C@H]3CCN(C)C3=O)CC2)nn1 ZINC000982143540 751640098 /nfs/dbraw/zinc/64/00/98/751640098.db2.gz XWELRLZPBAWCFJ-HNNXBMFYSA-N 1 2 346.435 0.233 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[N@H+]([C@H]3CCN(C)C3=O)CC2)nn1 ZINC000982143540 751640100 /nfs/dbraw/zinc/64/01/00/751640100.db2.gz XWELRLZPBAWCFJ-HNNXBMFYSA-N 1 2 346.435 0.233 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C)ncn3)C2)nn1 ZINC001105213990 741477894 /nfs/dbraw/zinc/47/78/94/741477894.db2.gz YFXJLSBIJIUIJW-UHFFFAOYSA-N 1 2 325.376 0.187 20 30 ECEDLO CC[C@H](C)OCC(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105216126 741487820 /nfs/dbraw/zinc/48/78/20/741487820.db2.gz NWCWMEPRKHDSDO-AWEZNQCLSA-N 1 2 349.435 0.216 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CC3(COC)CC3)C2)nn1 ZINC001105237885 741524435 /nfs/dbraw/zinc/52/44/35/741524435.db2.gz BLHPLQVJXQIVPJ-UHFFFAOYSA-N 1 2 331.420 0.591 20 30 ECEDLO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCc4c[nH]nc43)C2)nn1 ZINC001105240484 741531497 /nfs/dbraw/zinc/53/14/97/741531497.db2.gz OZUMRDFRMDJHNM-OAHLLOKOSA-N 1 2 341.419 0.780 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccc(F)cc3F)C2)nn1 ZINC001105244364 741549393 /nfs/dbraw/zinc/54/93/93/741549393.db2.gz VMYQUCYWXZGITD-UHFFFAOYSA-N 1 2 345.353 0.905 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc4cccn4cn3)C2)nn1 ZINC001105268332 741610004 /nfs/dbraw/zinc/61/00/04/741610004.db2.gz KFXYAPPQYUMCTE-UHFFFAOYSA-N 1 2 335.371 0.346 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc4c(c3)ncn4C)C2)nn1 ZINC001105271062 741615736 /nfs/dbraw/zinc/61/57/36/741615736.db2.gz VLKFBPQSIWPANY-UHFFFAOYSA-N 1 2 349.398 0.585 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[C@H](OC)C3)C2)nn1 ZINC001105275219 741620665 /nfs/dbraw/zinc/62/06/65/741620665.db2.gz HHJYADSNCYKXLE-CJNGLKHVSA-N 1 2 331.420 0.589 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H](C)n3ccc(C)n3)C2)nn1 ZINC001105299358 741681980 /nfs/dbraw/zinc/68/19/80/741681980.db2.gz TYUWJNVYCCDNBM-AWEZNQCLSA-N 1 2 341.419 0.540 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CC(n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001105309843 741718963 /nfs/dbraw/zinc/71/89/63/741718963.db2.gz DVEFPZSGDOAMNC-LBPRGKRZSA-N 1 2 334.424 0.099 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C3(c4cc(C)no4)CC3)C2)nn1 ZINC001105312270 741723808 /nfs/dbraw/zinc/72/38/08/741723808.db2.gz IBIGGQXZJQPPAD-UHFFFAOYSA-N 1 2 340.387 0.412 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCc4cccnc43)C2)nn1 ZINC001105314425 741735751 /nfs/dbraw/zinc/73/57/51/741735751.db2.gz ROPWFWSEXLSWEO-INIZCTEOSA-N 1 2 336.399 0.509 20 30 ECEDLO C=CCCCC(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105317060 741751414 /nfs/dbraw/zinc/75/14/14/741751414.db2.gz GIGLSFNIPWKLDY-UHFFFAOYSA-N 1 2 331.420 0.757 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)[C@@H]3CCCO3)C2)nn1 ZINC001105322663 741782314 /nfs/dbraw/zinc/78/23/14/741782314.db2.gz ZDBMMHKMAZGUSY-CJNGLKHVSA-N 1 2 331.420 0.589 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3occc3C)C2)nn1 ZINC001105325024 741798905 /nfs/dbraw/zinc/79/89/05/741798905.db2.gz BWVINDPIKKLGLJ-UHFFFAOYSA-N 1 2 327.388 0.918 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccc(CC)cn3)C2)nn1 ZINC001105331748 741842499 /nfs/dbraw/zinc/84/24/99/741842499.db2.gz PGBWGRVOYUDSLL-UHFFFAOYSA-N 1 2 338.415 0.584 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)C(C)C)C2)nn1 ZINC001105336453 742366848 /nfs/dbraw/zinc/36/68/48/742366848.db2.gz FBLPGZJSFHVUIV-CQSZACIVSA-N 1 2 333.436 0.693 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccnc(C4CC4)n3)C2)nn1 ZINC001105336633 742384187 /nfs/dbraw/zinc/38/41/87/742384187.db2.gz IVTSOOGVWVUQSP-UHFFFAOYSA-N 1 2 337.387 0.365 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N(C)CCN(C)c1[nH+]cnc2c1cnn2C ZINC001105379737 743019967 /nfs/dbraw/zinc/01/99/67/743019967.db2.gz JCMJTVWTKXKAGU-INIZCTEOSA-N 1 2 332.408 0.585 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCc2ccco2)[C@H](OC)C1 ZINC001211845075 743134905 /nfs/dbraw/zinc/13/49/05/743134905.db2.gz PMWFSNWZLSMTCW-NUEKZKHPSA-N 1 2 347.415 0.166 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2ccco2)[C@H](OC)C1 ZINC001211845075 743134910 /nfs/dbraw/zinc/13/49/10/743134910.db2.gz PMWFSNWZLSMTCW-NUEKZKHPSA-N 1 2 347.415 0.166 20 30 ECEDLO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1nc(-c2ccccc2)no1 ZINC001125999115 743182615 /nfs/dbraw/zinc/18/26/15/743182615.db2.gz XVGUUMAPKCBVLS-UHFFFAOYSA-N 1 2 341.371 0.082 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)c2[nH]c(C)nc2C)C1=O ZINC001038703723 743227624 /nfs/dbraw/zinc/22/76/24/743227624.db2.gz GLEIHCSJRMITGS-KBPBESRZSA-N 1 2 331.420 0.618 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)c2[nH]c(C)nc2C)C1=O ZINC001038703723 743227629 /nfs/dbraw/zinc/22/76/29/743227629.db2.gz GLEIHCSJRMITGS-KBPBESRZSA-N 1 2 331.420 0.618 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)cn1 ZINC000997102351 743238104 /nfs/dbraw/zinc/23/81/04/743238104.db2.gz QFVKSNZRQLTONV-CQSZACIVSA-N 1 2 349.394 0.463 20 30 ECEDLO C=CCO[C@H](C)C(=O)NCC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001059867281 751813235 /nfs/dbraw/zinc/81/32/35/751813235.db2.gz LFGUNMCFSDVYPU-HUUCEWRRSA-N 1 2 334.420 0.829 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3C[C@H]3C)C2)nn1 ZINC001098695152 743520844 /nfs/dbraw/zinc/52/08/44/743520844.db2.gz QOAURRKILQOFCM-VNQPRFMTSA-N 1 2 331.420 0.447 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)COCC(F)F)C2)nn1 ZINC001098695620 743598486 /nfs/dbraw/zinc/59/84/86/743598486.db2.gz ZXFGXRVYNOPQHO-ZDUSSCGKSA-N 1 2 341.362 0.446 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cncnc3C)C2)C1=O ZINC001006811997 751860560 /nfs/dbraw/zinc/86/05/60/751860560.db2.gz ADUWCKJEUMMYKJ-GDBMZVCRSA-N 1 2 343.431 0.766 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cncnc3C)C2)C1=O ZINC001006811997 751860571 /nfs/dbraw/zinc/86/05/71/751860571.db2.gz ADUWCKJEUMMYKJ-GDBMZVCRSA-N 1 2 343.431 0.766 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCS2(=O)=O)CC1 ZINC000998187722 744038374 /nfs/dbraw/zinc/03/83/74/744038374.db2.gz FYPNICYDTBCGAI-GJZGRUSLSA-N 1 2 326.462 0.900 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCS2(=O)=O)CC1 ZINC000998187722 744038375 /nfs/dbraw/zinc/03/83/75/744038375.db2.gz FYPNICYDTBCGAI-GJZGRUSLSA-N 1 2 326.462 0.900 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000976646603 744176793 /nfs/dbraw/zinc/17/67/93/744176793.db2.gz LKCQWBIRVFAXNZ-HVOFVXBASA-N 1 2 341.415 0.495 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 ZINC000976759632 744274846 /nfs/dbraw/zinc/27/48/46/744274846.db2.gz JOZSXCGAINUDNR-QWHZDKJVSA-N 1 2 339.395 0.619 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000998752835 744315412 /nfs/dbraw/zinc/31/54/12/744315412.db2.gz KKHFXSVLMXPECW-VXGBXAGGSA-N 1 2 328.376 0.263 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2nncs2)C1 ZINC000998927590 744410195 /nfs/dbraw/zinc/41/01/95/744410195.db2.gz GJKMGHUDSLVMHG-RUXDESIVSA-N 1 2 333.461 0.715 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2nncs2)C1 ZINC000998927590 744410196 /nfs/dbraw/zinc/41/01/96/744410196.db2.gz GJKMGHUDSLVMHG-RUXDESIVSA-N 1 2 333.461 0.715 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3csc(C)n3)C2)nn1 ZINC001105339671 744602127 /nfs/dbraw/zinc/60/21/27/744602127.db2.gz VWVSSVIDPUVKHO-UHFFFAOYSA-N 1 2 344.444 0.782 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ncoc3C)C2)nn1 ZINC001098625823 744639623 /nfs/dbraw/zinc/63/96/23/744639623.db2.gz IZOZCIZPSFGROT-CQSZACIVSA-N 1 2 328.376 0.775 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)c1 ZINC000977157178 744725714 /nfs/dbraw/zinc/72/57/14/744725714.db2.gz HFWMYPZNTGWRHK-HALDLXJZSA-N 1 2 335.367 0.215 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001028258254 751959273 /nfs/dbraw/zinc/95/92/73/751959273.db2.gz PWUQMOBWIHSLIP-SECBINFHSA-N 1 2 342.783 0.843 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001028258254 751959275 /nfs/dbraw/zinc/95/92/75/751959275.db2.gz PWUQMOBWIHSLIP-SECBINFHSA-N 1 2 342.783 0.843 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NCC[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001059197748 745114550 /nfs/dbraw/zinc/11/45/50/745114550.db2.gz HILXBDIWOBOVGM-ZDUSSCGKSA-N 1 2 349.460 0.872 20 30 ECEDLO N#CCSCC(=O)N1CC[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001059198128 745116090 /nfs/dbraw/zinc/11/60/90/745116090.db2.gz LXGJNAVPMOHSJK-LBPRGKRZSA-N 1 2 335.433 0.564 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(C(C)C)c3)C2)nn1 ZINC001105360660 751979512 /nfs/dbraw/zinc/97/95/12/751979512.db2.gz DXPDBQJWCPIPRO-UHFFFAOYSA-N 1 2 327.392 0.475 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)C3CCOCC3)C2)nn1 ZINC001105384704 745258114 /nfs/dbraw/zinc/25/81/14/745258114.db2.gz MUEOLTBLCPDQAD-ZDUSSCGKSA-N 1 2 331.420 0.447 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC(C)(C)C)[C@H](OC)C1 ZINC001211864567 745420871 /nfs/dbraw/zinc/42/08/71/745420871.db2.gz NDUYPDZNYRZXOO-MGPQQGTHSA-N 1 2 325.453 0.929 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC(C)(C)C)[C@H](OC)C1 ZINC001211864567 745420873 /nfs/dbraw/zinc/42/08/73/745420873.db2.gz NDUYPDZNYRZXOO-MGPQQGTHSA-N 1 2 325.453 0.929 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001029245083 745428679 /nfs/dbraw/zinc/42/86/79/745428679.db2.gz PAEPRRFFXISMEC-LJISPDSOSA-N 1 2 339.461 0.646 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001029245083 745428682 /nfs/dbraw/zinc/42/86/82/745428682.db2.gz PAEPRRFFXISMEC-LJISPDSOSA-N 1 2 339.461 0.646 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@H]3CCCO3)C2)nn1 ZINC001098626652 745553460 /nfs/dbraw/zinc/55/34/60/745553460.db2.gz XRXYBPAIAVPLPU-HZPDHXFCSA-N 1 2 331.420 0.734 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nncs4)C[C@H]32)c1 ZINC000977972874 745760456 /nfs/dbraw/zinc/76/04/56/745760456.db2.gz GELXLKPTWUDHCV-CNDDSTCGSA-N 1 2 328.401 0.846 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nncs4)C[C@H]32)c1 ZINC000977972874 745760463 /nfs/dbraw/zinc/76/04/63/745760463.db2.gz GELXLKPTWUDHCV-CNDDSTCGSA-N 1 2 328.401 0.846 20 30 ECEDLO N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)cn1 ZINC001059331143 745969775 /nfs/dbraw/zinc/96/97/75/745969775.db2.gz DWDOEBVEWPXONA-JHJVBQTASA-N 1 2 337.387 0.866 20 30 ECEDLO N#Cc1nccc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)n1 ZINC001059331186 745970417 /nfs/dbraw/zinc/97/04/17/745970417.db2.gz HRERCGRYZYVVLT-JHJVBQTASA-N 1 2 337.387 0.288 20 30 ECEDLO N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@H]3CCc4c[nH+]cn4C3)C2)n1 ZINC001059338415 746020417 /nfs/dbraw/zinc/02/04/17/746020417.db2.gz DFEHWUHXENPRPF-AVGNSLFASA-N 1 2 337.387 0.866 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@H]1CC ZINC001087690716 746195671 /nfs/dbraw/zinc/19/56/71/746195671.db2.gz OEEJYDVRFSDJER-VHSXEESVSA-N 1 2 343.229 0.701 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@H]1CC ZINC001087690716 746195675 /nfs/dbraw/zinc/19/56/75/746195675.db2.gz OEEJYDVRFSDJER-VHSXEESVSA-N 1 2 343.229 0.701 20 30 ECEDLO CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000978424965 746325159 /nfs/dbraw/zinc/32/51/59/746325159.db2.gz JCSLJANRTMVNGP-ARFHVFGLSA-N 1 2 340.427 0.996 20 30 ECEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 ZINC001001418455 746358071 /nfs/dbraw/zinc/35/80/71/746358071.db2.gz LGNAGWBHBHMPOY-HNNXBMFYSA-N 1 2 341.839 0.735 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CN(C(C)=O)CCO2)CC1 ZINC001001418455 746358075 /nfs/dbraw/zinc/35/80/75/746358075.db2.gz LGNAGWBHBHMPOY-HNNXBMFYSA-N 1 2 341.839 0.735 20 30 ECEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001001456427 746395468 /nfs/dbraw/zinc/39/54/68/746395468.db2.gz LHTQLIOUIYLIDO-LBPRGKRZSA-N 1 2 333.841 0.179 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC001001456427 746395476 /nfs/dbraw/zinc/39/54/76/746395476.db2.gz LHTQLIOUIYLIDO-LBPRGKRZSA-N 1 2 333.841 0.179 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C3CCC(OC)CC3)C2)nn1 ZINC001098706275 746435585 /nfs/dbraw/zinc/43/55/85/746435585.db2.gz XAZKJMNAMYCHPU-WIHSUSGWSA-N 1 2 345.447 0.980 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000984565892 746622821 /nfs/dbraw/zinc/62/28/21/746622821.db2.gz GRBDWQZVXWJNHH-CQSZACIVSA-N 1 2 340.387 0.915 20 30 ECEDLO Cn1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)n1 ZINC001087925388 746670685 /nfs/dbraw/zinc/67/06/85/746670685.db2.gz KAOATSKAZKJSHR-KGLIPLIRSA-N 1 2 339.403 0.609 20 30 ECEDLO Cn1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)n1 ZINC001087925388 746670691 /nfs/dbraw/zinc/67/06/91/746670691.db2.gz KAOATSKAZKJSHR-KGLIPLIRSA-N 1 2 339.403 0.609 20 30 ECEDLO CO[C@@H]1C[N@@H+]([C@@H](C)c2cnc(C)cn2)C[C@H]1NC(=O)CSCC#N ZINC001211886184 746700445 /nfs/dbraw/zinc/70/04/45/746700445.db2.gz DZJIVAIQBGOUOF-NWANDNLSSA-N 1 2 349.460 0.918 20 30 ECEDLO CO[C@@H]1C[N@H+]([C@@H](C)c2cnc(C)cn2)C[C@H]1NC(=O)CSCC#N ZINC001211886184 746700448 /nfs/dbraw/zinc/70/04/48/746700448.db2.gz DZJIVAIQBGOUOF-NWANDNLSSA-N 1 2 349.460 0.918 20 30 ECEDLO C#Cc1cncc(C(=O)NCC2CC[NH+](Cc3nnnn3C)CC2)c1 ZINC001001812979 746741003 /nfs/dbraw/zinc/74/10/03/746741003.db2.gz RIPJCZFTKBZJQO-UHFFFAOYSA-N 1 2 339.403 0.228 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000984707452 746855284 /nfs/dbraw/zinc/85/52/84/746855284.db2.gz STPOZVBSRZCPHT-OAHLLOKOSA-N 1 2 340.387 0.915 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc[nH]n2)[C@@H]1CC ZINC000985047504 747300449 /nfs/dbraw/zinc/30/04/49/747300449.db2.gz KVKTXKNBFYYXSE-IMJJTQAJSA-N 1 2 343.431 0.617 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc[nH]n2)[C@@H]1CC ZINC000985047504 747300453 /nfs/dbraw/zinc/30/04/53/747300453.db2.gz KVKTXKNBFYYXSE-IMJJTQAJSA-N 1 2 343.431 0.617 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccn[nH]2)[C@@H]1CC ZINC000985047504 747300460 /nfs/dbraw/zinc/30/04/60/747300460.db2.gz KVKTXKNBFYYXSE-IMJJTQAJSA-N 1 2 343.431 0.617 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccn[nH]2)[C@@H]1CC ZINC000985047504 747300465 /nfs/dbraw/zinc/30/04/65/747300465.db2.gz KVKTXKNBFYYXSE-IMJJTQAJSA-N 1 2 343.431 0.617 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001002409342 747312182 /nfs/dbraw/zinc/31/21/82/747312182.db2.gz NIEKCTKOQRRDEI-IAQYHMDHSA-N 1 2 344.419 0.524 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001002409342 747312191 /nfs/dbraw/zinc/31/21/91/747312191.db2.gz NIEKCTKOQRRDEI-IAQYHMDHSA-N 1 2 344.419 0.524 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3nccc(C)n3)C2)C1=O ZINC001007235629 752214109 /nfs/dbraw/zinc/21/41/09/752214109.db2.gz OOASSIIKUYCGOJ-GJZGRUSLSA-N 1 2 343.431 0.766 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3nccc(C)n3)C2)C1=O ZINC001007235629 752214112 /nfs/dbraw/zinc/21/41/12/752214112.db2.gz OOASSIIKUYCGOJ-GJZGRUSLSA-N 1 2 343.431 0.766 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C(=O)C(C)(C)C)C1 ZINC001002828200 747842676 /nfs/dbraw/zinc/84/26/76/747842676.db2.gz BCAVNUYFRKPOMO-AWEZNQCLSA-N 1 2 333.432 0.274 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)C(=O)C(C)(C)C)C1 ZINC001002828200 747842682 /nfs/dbraw/zinc/84/26/82/747842682.db2.gz BCAVNUYFRKPOMO-AWEZNQCLSA-N 1 2 333.432 0.274 20 30 ECEDLO C[N@@H+](Cc1nnnn1C1CC1)C[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001029733528 748175875 /nfs/dbraw/zinc/17/58/75/748175875.db2.gz LPVNQBUQIUHKOQ-AWEZNQCLSA-N 1 2 328.420 0.702 20 30 ECEDLO C[N@H+](Cc1nnnn1C1CC1)C[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001029733528 748175882 /nfs/dbraw/zinc/17/58/82/748175882.db2.gz LPVNQBUQIUHKOQ-AWEZNQCLSA-N 1 2 328.420 0.702 20 30 ECEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1COCCN1C ZINC001027825921 748208722 /nfs/dbraw/zinc/20/87/22/748208722.db2.gz ICEHXUMZGYLWBB-CHWSQXEVSA-N 1 2 346.269 0.806 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1COCCN1C ZINC001027825921 748208727 /nfs/dbraw/zinc/20/87/27/748208727.db2.gz ICEHXUMZGYLWBB-CHWSQXEVSA-N 1 2 346.269 0.806 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)c3c(C)n[nH]c3C)C2)nn1 ZINC001105344150 748280337 /nfs/dbraw/zinc/28/03/37/748280337.db2.gz PRKQHXKLAZUFBR-LLVKDONJSA-N 1 2 341.419 0.528 20 30 ECEDLO C#CCNC(=O)CC(=O)N[C@H](C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001126618456 748508081 /nfs/dbraw/zinc/50/80/81/748508081.db2.gz ZTNMGFGSOMIGIU-CYBMUJFWSA-N 1 2 343.431 0.646 20 30 ECEDLO N#Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2)C3)c[nH]1 ZINC001003742804 748851065 /nfs/dbraw/zinc/85/10/65/748851065.db2.gz XHJBFLHMUCYNJC-KFWWJZLASA-N 1 2 338.371 0.645 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001003788930 748897268 /nfs/dbraw/zinc/89/72/68/748897268.db2.gz SFZXLCONWLUIHL-HOTGVXAUSA-N 1 2 333.436 0.877 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001027889930 749152753 /nfs/dbraw/zinc/15/27/53/749152753.db2.gz JPVSUPVBEHEAHV-MCIONIFRSA-N 1 2 349.435 0.170 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001027889930 749152758 /nfs/dbraw/zinc/15/27/58/749152758.db2.gz JPVSUPVBEHEAHV-MCIONIFRSA-N 1 2 349.435 0.170 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC000980473648 749623327 /nfs/dbraw/zinc/62/33/27/749623327.db2.gz QKILQTDQDVUDNW-CTYIDZIISA-N 1 2 337.383 0.653 20 30 ECEDLO Cn1cc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)n(C)c1=O ZINC001004618595 749695047 /nfs/dbraw/zinc/69/50/47/749695047.db2.gz GEDRIQNLWPCZJX-AWEZNQCLSA-N 1 2 331.420 0.564 20 30 ECEDLO Cn1cc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)n(C)c1=O ZINC001004618595 749695048 /nfs/dbraw/zinc/69/50/48/749695048.db2.gz GEDRIQNLWPCZJX-AWEZNQCLSA-N 1 2 331.420 0.564 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3nnn(C)c3C)CC2)C1=O ZINC000980888327 750309951 /nfs/dbraw/zinc/30/99/51/750309951.db2.gz BHLXOSKECYYONL-CQSZACIVSA-N 1 2 346.435 0.058 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3nnn(C)c3C)CC2)C1=O ZINC000980888327 750309958 /nfs/dbraw/zinc/30/99/58/750309958.db2.gz BHLXOSKECYYONL-CQSZACIVSA-N 1 2 346.435 0.058 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccc4nccnc43)C2)nn1 ZINC001105347466 750315887 /nfs/dbraw/zinc/31/58/87/750315887.db2.gz FKEQZMPOTMUWOI-UHFFFAOYSA-N 1 2 347.382 0.641 20 30 ECEDLO C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001005211213 750380119 /nfs/dbraw/zinc/38/01/19/750380119.db2.gz ZWJILNQJZCSWLB-RISCZKNCSA-N 1 2 340.387 0.819 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1CC[NH+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC001005223331 750396535 /nfs/dbraw/zinc/39/65/35/750396535.db2.gz GWILJGJUQARGFR-UHFFFAOYSA-N 1 2 343.391 0.045 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCO[C@@H](CCC)C3)C2)nn1 ZINC001105350198 750438300 /nfs/dbraw/zinc/43/83/00/750438300.db2.gz XVDYZFPPBCTOSH-YOEHRIQHSA-N 1 2 345.447 0.980 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2nc(=O)n(C)[nH]2)cc1 ZINC001028067432 750461002 /nfs/dbraw/zinc/46/10/02/750461002.db2.gz UJTQVCSZPOXKJU-HNNXBMFYSA-N 1 2 339.399 0.484 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2nc(=O)n(C)[nH]2)cc1 ZINC001028067432 750461007 /nfs/dbraw/zinc/46/10/07/750461007.db2.gz UJTQVCSZPOXKJU-HNNXBMFYSA-N 1 2 339.399 0.484 20 30 ECEDLO COCCN(CCNC(=O)CCc1[nH]cc[nH+]1)c1ccc(C#N)nn1 ZINC001126307723 750496711 /nfs/dbraw/zinc/49/67/11/750496711.db2.gz BATKXQPIOYQXMO-UHFFFAOYSA-N 1 2 343.391 0.273 20 30 ECEDLO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001005937902 750819421 /nfs/dbraw/zinc/81/94/21/750819421.db2.gz JDHCVDIDWUYKBS-SNVBAGLBSA-N 1 2 326.360 0.429 20 30 ECEDLO C#CCCCCC(=O)NC[C@@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001105831116 762088260 /nfs/dbraw/zinc/08/82/60/762088260.db2.gz XGPUUUMRFUADAH-GFCCVEGCSA-N 1 2 330.392 0.446 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3n[nH]nc3C)CC2)C1=O ZINC000981731051 751028210 /nfs/dbraw/zinc/02/82/10/751028210.db2.gz YMZSWWZBYSTPMA-CYBMUJFWSA-N 1 2 332.408 0.048 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3n[nH]nc3C)CC2)C1=O ZINC000981731051 751028218 /nfs/dbraw/zinc/02/82/18/751028218.db2.gz YMZSWWZBYSTPMA-CYBMUJFWSA-N 1 2 332.408 0.048 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC[N@@H+](CC(=O)N2CCO[C@@H](C)C2)CC1 ZINC000981754498 751058704 /nfs/dbraw/zinc/05/87/04/751058704.db2.gz GPCFHZKJBBXBHX-HNNXBMFYSA-N 1 2 337.464 0.980 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC[N@H+](CC(=O)N2CCO[C@@H](C)C2)CC1 ZINC000981754498 751058710 /nfs/dbraw/zinc/05/87/10/751058710.db2.gz GPCFHZKJBBXBHX-HNNXBMFYSA-N 1 2 337.464 0.980 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001059832944 751193665 /nfs/dbraw/zinc/19/36/65/751193665.db2.gz MJVATXOCGTVZNT-HUUCEWRRSA-N 1 2 334.420 0.829 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001059832945 751193815 /nfs/dbraw/zinc/19/38/15/751193815.db2.gz MJVATXOCGTVZNT-LSDHHAIUSA-N 1 2 334.420 0.829 20 30 ECEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001212023954 752417898 /nfs/dbraw/zinc/41/78/98/752417898.db2.gz FRZLVYGLYCHGGR-RBSFLKMASA-N 1 2 325.453 0.929 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N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCNC(=O)C3)C2)c(F)c1 ZINC001010547576 756227873 /nfs/dbraw/zinc/22/78/73/756227873.db2.gz UUKKPPOVMVEUKN-DZGCQCFKSA-N 1 2 344.390 0.914 20 30 ECEDLO CC(C)c1noc(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC001051609314 762458346 /nfs/dbraw/zinc/45/83/46/762458346.db2.gz RCILCDIQQPGTNQ-CQSZACIVSA-N 1 2 332.404 0.923 20 30 ECEDLO CO[C@H](C)c1noc(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC001051610916 762462775 /nfs/dbraw/zinc/46/27/75/762462775.db2.gz FQCFFLFFUXRMKP-TZMCWYRMSA-N 1 2 348.403 0.507 20 30 ECEDLO C[C@@H](CCNC(=O)CCc1[nH]cc[nH+]1)NC(=O)c1c[nH]c(C#N)c1 ZINC001076321782 756370450 /nfs/dbraw/zinc/37/04/50/756370450.db2.gz RXUCMNZWGVFFIJ-NSHDSACASA-N 1 2 328.376 0.867 20 30 ECEDLO N#Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CCCC3)C2)c[nH]1 ZINC001010691375 756403638 /nfs/dbraw/zinc/40/36/38/756403638.db2.gz RCWLXGBSDCGEGF-AWEZNQCLSA-N 1 2 329.404 0.749 20 30 ECEDLO N#Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CCCC3)C2)c[nH]1 ZINC001010691375 756403641 /nfs/dbraw/zinc/40/36/41/756403641.db2.gz RCWLXGBSDCGEGF-AWEZNQCLSA-N 1 2 329.404 0.749 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc(OC)no3)C2)C1=O ZINC001010698633 756414512 /nfs/dbraw/zinc/41/45/12/756414512.db2.gz BWQFZXFWZWSKEO-RYUDHWBXSA-N 1 2 334.376 0.274 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(OC)no3)C2)C1=O ZINC001010698633 756414515 /nfs/dbraw/zinc/41/45/15/756414515.db2.gz BWQFZXFWZWSKEO-RYUDHWBXSA-N 1 2 334.376 0.274 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3cn[nH]c(=O)c3)[C@@H](O)C2)s1 ZINC001083547148 756466208 /nfs/dbraw/zinc/46/62/08/756466208.db2.gz WPAAXYPMYNIAOM-OLZOCXBDSA-N 1 2 345.384 0.090 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)c3cn[nH]c(=O)c3)[C@@H](O)C2)s1 ZINC001083547148 756466211 /nfs/dbraw/zinc/46/62/11/756466211.db2.gz WPAAXYPMYNIAOM-OLZOCXBDSA-N 1 2 345.384 0.090 20 30 ECEDLO Cn1cc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)nn1 ZINC001010851385 756601146 /nfs/dbraw/zinc/60/11/46/756601146.db2.gz LQFMFDGNYIHBHE-HNNXBMFYSA-N 1 2 327.363 0.810 20 30 ECEDLO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)nn1 ZINC001010851385 756601150 /nfs/dbraw/zinc/60/11/50/756601150.db2.gz LQFMFDGNYIHBHE-HNNXBMFYSA-N 1 2 327.363 0.810 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001076546300 756641251 /nfs/dbraw/zinc/64/12/51/756641251.db2.gz XMNQZMDVNRGZBT-LSDHHAIUSA-N 1 2 334.420 0.885 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001011063037 756861727 /nfs/dbraw/zinc/86/17/27/756861727.db2.gz HTSHHFYEMQNWQT-CABCVRRESA-N 1 2 346.431 0.994 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000990932628 756913598 /nfs/dbraw/zinc/91/35/98/756913598.db2.gz ORNBKRCCWVECKD-JTQLQIEISA-N 1 2 326.360 0.429 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000990932628 756913601 /nfs/dbraw/zinc/91/36/01/756913601.db2.gz ORNBKRCCWVECKD-JTQLQIEISA-N 1 2 326.360 0.429 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3CC(OCC)C3)C2)nn1 ZINC001098666595 756945444 /nfs/dbraw/zinc/94/54/44/756945444.db2.gz BOAJOXKTDZNNRR-OGVSOVDVSA-N 1 2 331.420 0.589 20 30 ECEDLO C=CCOCC(=O)NCc1cn(C2C[NH+](CCOCC3CC3)C2)nn1 ZINC001107146207 757037373 /nfs/dbraw/zinc/03/73/73/757037373.db2.gz ASBNXCAZMZHTRV-UHFFFAOYSA-N 1 2 349.435 0.380 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3nnc(C)o3)C2)nn1 ZINC001098666906 757174664 /nfs/dbraw/zinc/17/46/64/757174664.db2.gz KLHNNJFYYYOQNN-CQSZACIVSA-N 1 2 343.391 0.099 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccon3)C2)cc1F ZINC001076818680 757246303 /nfs/dbraw/zinc/24/63/03/757246303.db2.gz ICRZVNJZEXWWGZ-HZPDHXFCSA-N 1 2 344.346 0.589 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccon3)C2)cc1F ZINC001076818680 757246305 /nfs/dbraw/zinc/24/63/05/757246305.db2.gz ICRZVNJZEXWWGZ-HZPDHXFCSA-N 1 2 344.346 0.589 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCc3ccnn3C)nn2)C1 ZINC001107176898 757259072 /nfs/dbraw/zinc/25/90/72/757259072.db2.gz SCCWVWVSPCITFO-UHFFFAOYSA-N 1 2 343.435 0.693 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)Cc3cc(CC)nn3C)nn2)C1 ZINC001107188464 757424141 /nfs/dbraw/zinc/42/41/41/757424141.db2.gz TXYSUNIDEYSIQH-UHFFFAOYSA-N 1 2 343.435 0.476 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2COC(=O)C2)C1 ZINC001076883934 757458025 /nfs/dbraw/zinc/45/80/25/757458025.db2.gz DWDFKZSJDLOBSA-APHBMKBZSA-N 1 2 343.383 0.173 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2COC(=O)C2)C1 ZINC001076883934 757458033 /nfs/dbraw/zinc/45/80/33/757458033.db2.gz DWDFKZSJDLOBSA-APHBMKBZSA-N 1 2 343.383 0.173 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCCO3)C2)cc1F ZINC001076886052 757467941 /nfs/dbraw/zinc/46/79/41/757467941.db2.gz WNRZNPCHLIIEOQ-ZACQAIPSSA-N 1 2 347.390 0.928 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCCO3)C2)cc1F ZINC001076886052 757467943 /nfs/dbraw/zinc/46/79/43/757467943.db2.gz WNRZNPCHLIIEOQ-ZACQAIPSSA-N 1 2 347.390 0.928 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cccnc2)C1 ZINC001076891863 757486481 /nfs/dbraw/zinc/48/64/81/757486481.db2.gz FYPOOPDXPHRBNW-QZTJIDSGSA-N 1 2 336.395 0.857 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cccnc2)C1 ZINC001076891863 757486484 /nfs/dbraw/zinc/48/64/84/757486484.db2.gz FYPOOPDXPHRBNW-QZTJIDSGSA-N 1 2 336.395 0.857 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3cnsn3)C(C)(C)C2)nn1 ZINC000996390751 757523321 /nfs/dbraw/zinc/52/33/21/757523321.db2.gz VRSKZUOUVSMWBH-ZDUSSCGKSA-N 1 2 347.448 0.956 20 30 ECEDLO N#CCN1C[C@@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)C[C@@H]2C1 ZINC001048960738 757525188 /nfs/dbraw/zinc/52/51/88/757525188.db2.gz KYFSGOZKTDRBEV-BBWFWOEESA-N 1 2 332.448 0.401 20 30 ECEDLO N#CCN1C[C@@H]2CN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)C[C@@H]2C1 ZINC001048960738 757525192 /nfs/dbraw/zinc/52/51/92/757525192.db2.gz KYFSGOZKTDRBEV-BBWFWOEESA-N 1 2 332.448 0.401 20 30 ECEDLO C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O)n1cncn1 ZINC001076904726 757553240 /nfs/dbraw/zinc/55/32/40/757553240.db2.gz QWYGGPZKHMVOSE-LERXQTSPSA-N 1 2 346.416 0.134 20 30 ECEDLO C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O)n1cncn1 ZINC001076904726 757553244 /nfs/dbraw/zinc/55/32/44/757553244.db2.gz QWYGGPZKHMVOSE-LERXQTSPSA-N 1 2 346.416 0.134 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2OCCCO2)C1 ZINC001076922830 757622537 /nfs/dbraw/zinc/62/25/37/757622537.db2.gz QNCPXGBZYPIUEX-HZPDHXFCSA-N 1 2 345.399 0.373 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2OCCCO2)C1 ZINC001076922830 757622541 /nfs/dbraw/zinc/62/25/41/757622541.db2.gz QNCPXGBZYPIUEX-HZPDHXFCSA-N 1 2 345.399 0.373 20 30 ECEDLO N#CCN1C[C@@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)C[C@@H]2C1 ZINC001049003833 757664672 /nfs/dbraw/zinc/66/46/72/757664672.db2.gz QNYFNPRKINENSL-UXLLHSPISA-N 1 2 332.448 0.544 20 30 ECEDLO N#CCN1C[C@@H]2CN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001049003833 757664677 /nfs/dbraw/zinc/66/46/77/757664677.db2.gz QNYFNPRKINENSL-UXLLHSPISA-N 1 2 332.448 0.544 20 30 ECEDLO C#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CCS(=O)(=O)CC2)C1 ZINC001021682295 757776842 /nfs/dbraw/zinc/77/68/42/757776842.db2.gz ONUKIXLYPBZONM-HOTGVXAUSA-N 1 2 338.473 0.757 20 30 ECEDLO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CCS(=O)(=O)CC2)C1 ZINC001021682295 757776850 /nfs/dbraw/zinc/77/68/50/757776850.db2.gz ONUKIXLYPBZONM-HOTGVXAUSA-N 1 2 338.473 0.757 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+]([C@H](C)c3nnnn3C)C[C@@H]2C1 ZINC001049068012 757868719 /nfs/dbraw/zinc/86/87/19/757868719.db2.gz HZDIXGRGIKKCAI-QMIVOQANSA-N 1 2 346.435 0.252 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)c3nnnn3C)C[C@@H]2C1 ZINC001049068012 757868728 /nfs/dbraw/zinc/86/87/28/757868728.db2.gz HZDIXGRGIKKCAI-QMIVOQANSA-N 1 2 346.435 0.252 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ocnc2C)C[C@H]1O ZINC001077016591 757943782 /nfs/dbraw/zinc/94/37/82/757943782.db2.gz UGVUJKYPVLOHOJ-TUVASFSCSA-N 1 2 335.404 0.626 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@H]1O ZINC001077016591 757943786 /nfs/dbraw/zinc/94/37/86/757943786.db2.gz UGVUJKYPVLOHOJ-TUVASFSCSA-N 1 2 335.404 0.626 20 30 ECEDLO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001049111870 757989057 /nfs/dbraw/zinc/98/90/57/757989057.db2.gz VVWPSQISZIVWIE-STQMWFEESA-N 1 2 334.420 0.684 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCCC(=O)N(C)C)nn2)C1 ZINC001107229496 757991664 /nfs/dbraw/zinc/99/16/64/757991664.db2.gz MKIQHYCVOQGTTJ-UHFFFAOYSA-N 1 2 346.435 0.033 20 30 ECEDLO N#Cc1nccc(NC[C@H]2CCC[C@H]2NC(=O)CCn2cc[nH+]c2)n1 ZINC001105686783 758018434 /nfs/dbraw/zinc/01/84/34/758018434.db2.gz OMDIPGWOZJFELT-ZIAGYGMSSA-N 1 2 339.403 0.754 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)cc2NC(C)=O)C1 ZINC001077090241 758137911 /nfs/dbraw/zinc/13/79/11/758137911.db2.gz VOMNKZIEVCMDRC-HZPDHXFCSA-N 1 2 333.363 0.582 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(F)cc2NC(C)=O)C1 ZINC001077090241 758137923 /nfs/dbraw/zinc/13/79/23/758137923.db2.gz VOMNKZIEVCMDRC-HZPDHXFCSA-N 1 2 333.363 0.582 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)Cc4ncn[nH]4)C[C@H]3C2)s1 ZINC001049163138 758185013 /nfs/dbraw/zinc/18/50/13/758185013.db2.gz NVXIAYPEXSYSEK-TXEJJXNPSA-N 1 2 342.428 0.871 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)Cc4ncn[nH]4)C[C@H]3C2)s1 ZINC001049163138 758185022 /nfs/dbraw/zinc/18/50/22/758185022.db2.gz NVXIAYPEXSYSEK-TXEJJXNPSA-N 1 2 342.428 0.871 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1O ZINC001049163755 758188679 /nfs/dbraw/zinc/18/86/79/758188679.db2.gz OOOQQTHPIWQTHH-KBPBESRZSA-N 1 2 348.447 0.975 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001011669194 758257115 /nfs/dbraw/zinc/25/71/15/758257115.db2.gz NASWKIRMTYMLAC-ZWNOBZJWSA-N 1 2 326.360 0.571 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccsn3)C2)cc1 ZINC001077204963 758499178 /nfs/dbraw/zinc/49/91/78/758499178.db2.gz GKZSZEJHYVZGPW-HUUCEWRRSA-N 1 2 328.397 0.990 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccsn3)C2)cc1 ZINC001077204963 758499181 /nfs/dbraw/zinc/49/91/81/758499181.db2.gz GKZSZEJHYVZGPW-HUUCEWRRSA-N 1 2 328.397 0.990 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H]2C)nn1 ZINC001011761053 758507007 /nfs/dbraw/zinc/50/70/07/758507007.db2.gz JFCVZIHPSIVOOK-VXGBXAGGSA-N 1 2 343.391 0.149 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001049321021 758516654 /nfs/dbraw/zinc/51/66/54/758516654.db2.gz GIDLUPQWWRPKQR-IHRRRGAJSA-N 1 2 334.420 0.585 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)nn1 ZINC001011772917 758541679 /nfs/dbraw/zinc/54/16/79/758541679.db2.gz SLOGHRXMFITWMO-CHWSQXEVSA-N 1 2 343.391 0.080 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)nc1 ZINC001011804464 758625956 /nfs/dbraw/zinc/62/59/56/758625956.db2.gz BBNACGPUEIEHLR-UHFFFAOYSA-N 1 2 337.383 0.622 20 30 ECEDLO Cn1cc(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)c2ccc(C#N)[nH]2)nn1 ZINC001049425190 758667739 /nfs/dbraw/zinc/66/77/39/758667739.db2.gz LCHUJILQGGXQLU-HZPDHXFCSA-N 1 2 339.403 0.894 20 30 ECEDLO Cn1cc(C[N@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)c2ccc(C#N)[nH]2)nn1 ZINC001049425190 758667746 /nfs/dbraw/zinc/66/77/46/758667746.db2.gz LCHUJILQGGXQLU-HZPDHXFCSA-N 1 2 339.403 0.894 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3cc(C)ccc3O2)C1 ZINC001077388157 758960736 /nfs/dbraw/zinc/96/07/36/758960736.db2.gz PIYMNJKAULHZJK-NUJGCVRESA-N 1 2 328.412 0.873 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3cc(C)ccc3O2)C1 ZINC001077388157 758960742 /nfs/dbraw/zinc/96/07/42/758960742.db2.gz PIYMNJKAULHZJK-NUJGCVRESA-N 1 2 328.412 0.873 20 30 ECEDLO Cc1nc(NC[C@@H](O)CNC(=O)Cc2c[nH+]cn2C)ccc1C#N ZINC001105914105 762695943 /nfs/dbraw/zinc/69/59/43/762695943.db2.gz OWNSPKLGTQIXHH-CQSZACIVSA-N 1 2 328.376 0.127 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]2C[N@H+](CC(=O)Nc3cnccn3)C[C@H]21 ZINC001050000542 759527105 /nfs/dbraw/zinc/52/71/05/759527105.db2.gz YKLZWNXKVJATMY-MELADBBJSA-N 1 2 342.403 0.498 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]2C[N@@H+](CC(=O)Nc3cnccn3)C[C@H]21 ZINC001050000542 759527107 /nfs/dbraw/zinc/52/71/07/759527107.db2.gz YKLZWNXKVJATMY-MELADBBJSA-N 1 2 342.403 0.498 20 30 ECEDLO C#CC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC001050178132 759873339 /nfs/dbraw/zinc/87/33/39/759873339.db2.gz ZKBBOVXQJJOYHG-OWCLPIDISA-N 1 2 338.473 0.757 20 30 ECEDLO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC001050178132 759873344 /nfs/dbraw/zinc/87/33/44/759873344.db2.gz ZKBBOVXQJJOYHG-OWCLPIDISA-N 1 2 338.473 0.757 20 30 ECEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001032226817 759960335 /nfs/dbraw/zinc/96/03/35/759960335.db2.gz XQJGFLPDLDNOKO-INIZCTEOSA-N 1 2 341.415 0.649 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001012443599 760011145 /nfs/dbraw/zinc/01/11/45/760011145.db2.gz WRWYJCWHIQLDMA-AAEUAGOBSA-N 1 2 326.360 0.502 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001050297630 760079627 /nfs/dbraw/zinc/07/96/27/760079627.db2.gz OCQNTTSVGHSUNZ-HUUCEWRRSA-N 1 2 348.447 0.909 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)COC(C)(C)C)[C@H](OC)C1 ZINC001212141042 760180924 /nfs/dbraw/zinc/18/09/24/760180924.db2.gz BTWYFGBATHOCCT-BFHYXJOUSA-N 1 2 341.452 0.308 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)COC(C)(C)C)[C@H](OC)C1 ZINC001212141042 760180930 /nfs/dbraw/zinc/18/09/30/760180930.db2.gz BTWYFGBATHOCCT-BFHYXJOUSA-N 1 2 341.452 0.308 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCOC2)C1=O ZINC001017402292 767937674 /nfs/dbraw/zinc/93/76/74/767937674.db2.gz UTLNYMYZBIQXQZ-LVQVYYBASA-N 1 2 333.432 0.485 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCOC2)C1=O ZINC001017402292 767937677 /nfs/dbraw/zinc/93/76/77/767937677.db2.gz UTLNYMYZBIQXQZ-LVQVYYBASA-N 1 2 333.432 0.485 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCOC2)C1=O ZINC001017402293 767937903 /nfs/dbraw/zinc/93/79/03/767937903.db2.gz UTLNYMYZBIQXQZ-WCVJEAGWSA-N 1 2 333.432 0.485 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCOC2)C1=O ZINC001017402293 767937907 /nfs/dbraw/zinc/93/79/07/767937907.db2.gz UTLNYMYZBIQXQZ-WCVJEAGWSA-N 1 2 333.432 0.485 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@@H]3OCC)nn2)C1 ZINC001107132597 760551258 /nfs/dbraw/zinc/55/12/58/760551258.db2.gz ZXUAYTGIVPXGLR-CVEARBPZSA-N 1 2 349.435 0.379 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001050735636 760755847 /nfs/dbraw/zinc/75/58/47/760755847.db2.gz LQLWNMPHJOKZRA-UONOGXRCSA-N 1 2 332.404 0.345 20 30 ECEDLO Cn1c[nH+]cc1CN1CCOC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001050880791 761064030 /nfs/dbraw/zinc/06/40/30/761064030.db2.gz XNMTXXVMNJFWAN-CQSZACIVSA-N 1 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ZINC001051109552 761505806 /nfs/dbraw/zinc/50/58/06/761505806.db2.gz IOQNKIYKLZOQOQ-ZDUSSCGKSA-N 1 2 329.404 0.975 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc2ncn(C)c2n1 ZINC001051109552 761505814 /nfs/dbraw/zinc/50/58/14/761505814.db2.gz IOQNKIYKLZOQOQ-ZDUSSCGKSA-N 1 2 329.404 0.975 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CNc1ccc(C#N)nn1 ZINC001054571351 768046013 /nfs/dbraw/zinc/04/60/13/768046013.db2.gz LTKJRVXCVSWVHX-VXGBXAGGSA-N 1 2 325.376 0.820 20 30 ECEDLO C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001054571611 768046117 /nfs/dbraw/zinc/04/61/17/768046117.db2.gz KWPONKAGKVPQRL-GXFFZTMASA-N 1 2 343.391 0.586 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2COCC[N@@H+]2C[C@@H]2CCCOC2)nn1 ZINC001051156561 761579381 /nfs/dbraw/zinc/57/93/81/761579381.db2.gz UFIRXRDERZAXST-GJZGRUSLSA-N 1 2 349.435 0.321 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2COCC[N@H+]2C[C@@H]2CCCOC2)nn1 ZINC001051156561 761579386 /nfs/dbraw/zinc/57/93/86/761579386.db2.gz UFIRXRDERZAXST-GJZGRUSLSA-N 1 2 349.435 0.321 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccnc2nc(C)nn21 ZINC001051204234 761682809 /nfs/dbraw/zinc/68/28/09/761682809.db2.gz MPVGHMOEPDJGNG-CYBMUJFWSA-N 1 2 330.392 0.439 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccnc2nc(C)nn21 ZINC001051204234 761682815 /nfs/dbraw/zinc/68/28/15/761682815.db2.gz MPVGHMOEPDJGNG-CYBMUJFWSA-N 1 2 330.392 0.439 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(C(=O)NC)nc1 ZINC001051210041 761693935 /nfs/dbraw/zinc/69/39/35/761693935.db2.gz BNGNSVVNDXJQHL-OAHLLOKOSA-N 1 2 346.431 0.838 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(C(=O)NC)nc1 ZINC001051210041 761693937 /nfs/dbraw/zinc/69/39/37/761693937.db2.gz BNGNSVVNDXJQHL-OAHLLOKOSA-N 1 2 346.431 0.838 20 30 ECEDLO C=CCCOCC(=O)N[C@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001051251652 761765966 /nfs/dbraw/zinc/76/59/66/761765966.db2.gz QWMNPDLXYADECE-CABCVRRESA-N 1 2 348.447 0.909 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001060287142 761791162 /nfs/dbraw/zinc/79/11/62/761791162.db2.gz YLQZRVWSCPFRHE-KGLIPLIRSA-N 1 2 331.420 0.867 20 30 ECEDLO N#Cc1c(F)cccc1N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001051699186 762726545 /nfs/dbraw/zinc/72/65/45/762726545.db2.gz FLUFFQPRRSFFAC-GDBMZVCRSA-N 1 2 343.362 0.650 20 30 ECEDLO N#Cc1c(F)cccc1N1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001051699188 762726672 /nfs/dbraw/zinc/72/66/72/762726672.db2.gz FLUFFQPRRSFFAC-GOEBONIOSA-N 1 2 343.362 0.650 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(c2ccc(C#N)cn2)C[C@@H]1O ZINC001051712053 762766003 /nfs/dbraw/zinc/76/60/03/762766003.db2.gz JYEUGBCVCLKWGX-ZFWWWQNUSA-N 1 2 340.387 0.283 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)CNc1ncc(C#N)cc1F ZINC001105920552 762774165 /nfs/dbraw/zinc/77/41/65/762774165.db2.gz IQRPBSLGKACGRF-NSHDSACASA-N 1 2 332.339 0.256 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)CNc1cccc(F)c1C#N ZINC001105921031 762774199 /nfs/dbraw/zinc/77/41/99/762774199.db2.gz VYAOPLBPYWLADQ-LLVKDONJSA-N 1 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COCCc1noc(C[NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C)n1 ZINC001054640215 768114576 /nfs/dbraw/zinc/11/45/76/768114576.db2.gz XMNFIFZOKYACRD-GXTWGEPZSA-N 1 2 332.404 0.608 20 30 ECEDLO C[C@H](C(N)=O)[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001046930332 763407743 /nfs/dbraw/zinc/40/77/43/763407743.db2.gz ZICIEGDJNWBQSO-MWLCHTKSSA-N 1 2 339.346 0.447 20 30 ECEDLO C[C@H](C(N)=O)[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001046930332 763407746 /nfs/dbraw/zinc/40/77/46/763407746.db2.gz ZICIEGDJNWBQSO-MWLCHTKSSA-N 1 2 339.346 0.447 20 30 ECEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CC[C@H]3C(N)=O)C2)ccc1F ZINC001031896551 763425072 /nfs/dbraw/zinc/42/50/72/763425072.db2.gz HSZYUVOAXQRCPC-CABCVRRESA-N 1 2 344.390 0.757 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CCNC3=O)C2)cc1F ZINC001031899773 763449203 /nfs/dbraw/zinc/44/92/03/763449203.db2.gz GBRXFEPBVZPSQS-AWEZNQCLSA-N 1 2 330.363 0.381 20 30 ECEDLO Cn1nnc(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)n1 ZINC001031905101 763482146 /nfs/dbraw/zinc/48/21/46/763482146.db2.gz XBEYKILEBOOBIU-UHFFFAOYSA-N 1 2 329.339 0.083 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)CCn2cc[nH+]c2)cn1 ZINC001077573177 763525230 /nfs/dbraw/zinc/52/52/30/763525230.db2.gz CRPNPRDWGLQLGV-AWEZNQCLSA-N 1 2 339.399 0.974 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(Cc3csnn3)CC2)C1 ZINC001051998027 763549825 /nfs/dbraw/zinc/54/98/25/763549825.db2.gz MRLBZATXVHVGJK-TZMCWYRMSA-N 1 2 334.449 0.416 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)CCn3ccnn3)C2)CC1 ZINC001052019466 763600537 /nfs/dbraw/zinc/60/05/37/763600537.db2.gz ZUIZYXNWFZNVLO-INIZCTEOSA-N 1 2 332.452 0.463 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c(Cl)cnn3C)C2)CC1 ZINC001052026150 763618569 /nfs/dbraw/zinc/61/85/69/763618569.db2.gz AVVWZXZGBHAEPU-AWEZNQCLSA-N 1 2 349.866 0.929 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)CCc3ccncn3)C2)CC1 ZINC001052032741 763635127 /nfs/dbraw/zinc/63/51/27/763635127.db2.gz JKBRHXMFPISKBA-SFHVURJKSA-N 1 2 341.459 0.651 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccnn3CCC)C2)CC1 ZINC001052032757 763635148 /nfs/dbraw/zinc/63/51/48/763635148.db2.gz JQAZAWKWZAOXBI-INIZCTEOSA-N 1 2 329.448 0.758 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cn(C)nc3C3CC3)C2)CC1 ZINC001052035295 763640306 /nfs/dbraw/zinc/64/03/06/763640306.db2.gz GYGLOUFUFJUWRR-INIZCTEOSA-N 1 2 341.459 0.763 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(F)cncc3F)C2)CC1 ZINC001052035151 763640477 /nfs/dbraw/zinc/64/04/77/763640477.db2.gz BQDGQCAYSWMZNZ-GFCCVEGCSA-N 1 2 335.358 0.715 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)CCc3ccn(C)n3)C2)CC1 ZINC001052036011 763646869 /nfs/dbraw/zinc/64/68/69/763646869.db2.gz WVRWTZLPCIIHEI-SFHVURJKSA-N 1 2 343.475 0.595 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ncc(OC)cc3F)C2)CC1 ZINC001052036317 763647594 /nfs/dbraw/zinc/64/75/94/763647594.db2.gz LDJRUDFSNZZSNZ-CQSZACIVSA-N 1 2 346.406 0.695 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ncc(OC)cc3F)C2)CC1 ZINC001052036317 763647598 /nfs/dbraw/zinc/64/75/98/763647598.db2.gz LDJRUDFSNZZSNZ-CQSZACIVSA-N 1 2 346.406 0.695 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnc4n3CCC4)C2)CC1 ZINC001052037418 763655188 /nfs/dbraw/zinc/65/51/88/763655188.db2.gz LWNOVIITXPPOOJ-MRXNPFEDSA-N 1 2 341.459 0.685 20 30 ECEDLO CCc1cccc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052037338 763655652 /nfs/dbraw/zinc/65/56/52/763655652.db2.gz LBUXDXUULBHDKI-INIZCTEOSA-N 1 2 327.432 1.000 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccnn3CCOC)C2)CC1 ZINC001052040767 763663927 /nfs/dbraw/zinc/66/39/27/763663927.db2.gz JWYVJGQEEJIXPX-MRXNPFEDSA-N 1 2 347.463 0.548 20 30 ECEDLO N#Cc1ccc(NC[C@H](O)CNC(=O)[C@H]2CCn3c[nH+]cc3C2)cn1 ZINC001106008015 763664248 /nfs/dbraw/zinc/66/42/48/763664248.db2.gz UORDOUFOJDDJGR-LRDDRELGSA-N 1 2 340.387 0.301 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3CCN(C)C3=O)C2)CC1 ZINC001052041213 763664955 /nfs/dbraw/zinc/66/49/55/763664955.db2.gz VYMUEIIMEVJDPW-DLBZAZTESA-N 1 2 346.475 0.097 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ncc(F)cc3F)C2)CC1 ZINC001052042789 763672151 /nfs/dbraw/zinc/67/21/51/763672151.db2.gz GOSGITMSMFCJCV-CQSZACIVSA-N 1 2 334.370 0.825 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ncc(F)cc3F)C2)CC1 ZINC001052042789 763672155 /nfs/dbraw/zinc/67/21/55/763672155.db2.gz GOSGITMSMFCJCV-CQSZACIVSA-N 1 2 334.370 0.825 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)C2)CC1 ZINC001052047045 763688634 /nfs/dbraw/zinc/68/86/34/763688634.db2.gz HNDOMJSOEADOKI-QZTJIDSGSA-N 1 2 346.475 0.097 20 30 ECEDLO N#Cc1ccc(NC[C@H](O)CNC(=O)c2cccc3[nH+]ccn32)nc1 ZINC001106017340 763703631 /nfs/dbraw/zinc/70/36/31/763703631.db2.gz HMYKPMHTUVKXQN-ZDUSSCGKSA-N 1 2 336.355 0.804 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccnc(OC)n3)C2)CC1 ZINC001052050155 763704561 /nfs/dbraw/zinc/70/45/61/763704561.db2.gz SDOYNIFSBSXCCI-OAHLLOKOSA-N 1 2 343.431 0.341 20 30 ECEDLO N#Cc1ccc(NC[C@H](O)CNC(=O)[C@H]2CCc3[nH+]ccn3C2)nc1 ZINC001106016087 763717885 /nfs/dbraw/zinc/71/78/85/763717885.db2.gz NSYDPMMWAGRPHQ-KBPBESRZSA-N 1 2 340.387 0.301 20 30 ECEDLO N#Cc1ccc(NC[C@H](O)CNC(=O)c2cccc3[nH+]ccn32)cn1 ZINC001106017739 763724858 /nfs/dbraw/zinc/72/48/58/763724858.db2.gz MWSFTGCUAYJUMR-AWEZNQCLSA-N 1 2 336.355 0.804 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)c(F)c1 ZINC001015041984 763734415 /nfs/dbraw/zinc/73/44/15/763734415.db2.gz HONDWOSCLFBDKO-HIFRSBDPSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)c(F)c1 ZINC001015041984 763734422 /nfs/dbraw/zinc/73/44/22/763734422.db2.gz HONDWOSCLFBDKO-HIFRSBDPSA-N 1 2 344.390 0.914 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@H]3CCC(=O)N3C)C2)CC1 ZINC001052060401 763739966 /nfs/dbraw/zinc/73/99/66/763739966.db2.gz CUHKXZTZCXJPCG-IAGOWNOFSA-N 1 2 346.475 0.239 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn4cccnc34)C2)CC1 ZINC001052060677 763741948 /nfs/dbraw/zinc/74/19/48/763741948.db2.gz JUKSLLRLVYLJBF-OAHLLOKOSA-N 1 2 338.415 0.195 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@]3(C)CCCOC3)C2)nn1 ZINC001098758286 763765259 /nfs/dbraw/zinc/76/52/59/763765259.db2.gz YWDUBWCNRDVOOX-SJLPKXTDSA-N 1 2 345.447 0.981 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3nccs3)C2)nn1 ZINC001098758292 763765273 /nfs/dbraw/zinc/76/52/73/763765273.db2.gz ZAWPVTVSARBXRA-CYBMUJFWSA-N 1 2 330.417 0.935 20 30 ECEDLO C=C1CCC(C(=O)N2CC[C@H]([NH+]3CCN([C@H](C)C(N)=O)CC3)C2)CC1 ZINC001052072909 763777030 /nfs/dbraw/zinc/77/70/30/763777030.db2.gz CCXLENSTTWSUIE-WBVHZDCISA-N 1 2 348.491 0.825 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)CC3=CCOCC3)C2)CC1 ZINC001052074332 763779322 /nfs/dbraw/zinc/77/93/22/763779322.db2.gz AMSQXKPZJIDEQF-SFHVURJKSA-N 1 2 331.460 0.965 20 30 ECEDLO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cn[nH]n3)C2)cc1C#N ZINC001015060017 763781933 /nfs/dbraw/zinc/78/19/33/763781933.db2.gz IYJQRIKVGBLOTF-CYBMUJFWSA-N 1 2 326.360 0.689 20 30 ECEDLO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cn[nH]n3)C2)cc1C#N ZINC001015060017 763781935 /nfs/dbraw/zinc/78/19/35/763781935.db2.gz IYJQRIKVGBLOTF-CYBMUJFWSA-N 1 2 326.360 0.689 20 30 ECEDLO CC(C)(C)n1cnc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052082015 763801307 /nfs/dbraw/zinc/80/13/07/763801307.db2.gz IDBUVWYYRVHTGC-AWEZNQCLSA-N 1 2 345.451 0.389 20 30 ECEDLO C=CCN1CC[C@H](N2CC(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1=O ZINC001030527509 763814270 /nfs/dbraw/zinc/81/42/70/763814270.db2.gz LVVKGWRGHCPMIW-INIZCTEOSA-N 1 2 339.399 0.764 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(C)nc3OC)C2)CC1 ZINC001052092870 763834972 /nfs/dbraw/zinc/83/49/72/763834972.db2.gz GURGVFBXFQVNFG-MRXNPFEDSA-N 1 2 342.443 0.864 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3nc(C)ncc3Cl)C2)CC1 ZINC001052093035 763835221 /nfs/dbraw/zinc/83/52/21/763835221.db2.gz JCWOFSQSWYRWQU-CQSZACIVSA-N 1 2 347.850 0.904 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3nc(C)ncc3Cl)C2)CC1 ZINC001052093035 763835230 /nfs/dbraw/zinc/83/52/30/763835230.db2.gz JCWOFSQSWYRWQU-CQSZACIVSA-N 1 2 347.850 0.904 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc4cccnn43)C2)CC1 ZINC001052094119 763839524 /nfs/dbraw/zinc/83/95/24/763839524.db2.gz XXNBGTZJSQIWRP-KRWDZBQOSA-N 1 2 337.427 0.800 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn4ccccc34)C2)CC1 ZINC001052098936 763855538 /nfs/dbraw/zinc/85/55/38/763855538.db2.gz REKUBKORZUCRDQ-OAHLLOKOSA-N 1 2 338.415 0.690 20 30 ECEDLO CCc1cc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)n(C)n1 ZINC001052101385 763863114 /nfs/dbraw/zinc/86/31/14/763863114.db2.gz OVROKOOSGOAXLO-OAHLLOKOSA-N 1 2 330.436 0.338 20 30 ECEDLO Cc1c(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)nnn1C(C)C ZINC001052102257 763866164 /nfs/dbraw/zinc/86/61/64/763866164.db2.gz CXOCXJCAUSUECL-OAHLLOKOSA-N 1 2 345.451 0.523 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c[nH]c(C)cc3=O)C2)CC1 ZINC001052105468 763876995 /nfs/dbraw/zinc/87/69/95/763876995.db2.gz LJFNCZNTNKMTOB-HNNXBMFYSA-N 1 2 328.416 0.149 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCN(CC#CC)CC3)C2)nc1 ZINC001052107658 763886524 /nfs/dbraw/zinc/88/65/24/763886524.db2.gz GWXUWYANJRKSCO-SFHVURJKSA-N 1 2 336.439 0.918 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](N3CC[NH+](CC#CC)CC3)C2)nc1 ZINC001052107658 763886534 /nfs/dbraw/zinc/88/65/34/763886534.db2.gz GWXUWYANJRKSCO-SFHVURJKSA-N 1 2 336.439 0.918 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)C2)CC1 ZINC001052118971 763934978 /nfs/dbraw/zinc/93/49/78/763934978.db2.gz FCDJBBJUKMGIMW-WBVHZDCISA-N 1 2 343.475 0.919 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)N3CCCCC3=O)C2)CC1 ZINC001052119065 763935458 /nfs/dbraw/zinc/93/54/58/763935458.db2.gz ISNOJLJCHPTUHO-SJORKVTESA-N 1 2 346.475 0.239 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)n1nnnc1C(C)(C)C ZINC001017602214 768177760 /nfs/dbraw/zinc/17/77/60/768177760.db2.gz SZLAPUXHXWPMQO-MCIONIFRSA-N 1 2 330.436 0.840 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)n1nnnc1C(C)(C)C ZINC001017602214 768177765 /nfs/dbraw/zinc/17/77/65/768177765.db2.gz SZLAPUXHXWPMQO-MCIONIFRSA-N 1 2 330.436 0.840 20 30 ECEDLO N#Cc1nccc(NC2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC001052136510 763969153 /nfs/dbraw/zinc/96/91/53/763969153.db2.gz HVJNPFBDAUBRIE-FIYWTHMPSA-N 1 2 337.387 0.604 20 30 ECEDLO N#Cc1nccc(NC2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)n1 ZINC001052136510 763969157 /nfs/dbraw/zinc/96/91/57/763969157.db2.gz HVJNPFBDAUBRIE-FIYWTHMPSA-N 1 2 337.387 0.604 20 30 ECEDLO C#CCCN1C[C@H](O)[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001047398605 764216986 /nfs/dbraw/zinc/21/69/86/764216986.db2.gz XFTULLVXALBYAZ-GJZGRUSLSA-N 1 2 335.473 0.950 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]cn1C)C2 ZINC001047399269 764219002 /nfs/dbraw/zinc/21/90/02/764219002.db2.gz MXYRYIRXYANFLR-ZNMIVQPWSA-N 1 2 346.431 0.661 20 30 ECEDLO Cn1ncc(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)n1 ZINC001032051088 764323955 /nfs/dbraw/zinc/32/39/55/764323955.db2.gz RJELXQJCNHFVKW-UHFFFAOYSA-N 1 2 328.351 0.688 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1CNC(=O)CSCC#N ZINC001052473414 764579289 /nfs/dbraw/zinc/57/92/89/764579289.db2.gz YHWOSEGBYHDGKQ-STQMWFEESA-N 1 2 349.460 0.810 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1CNC(=O)CSCC#N ZINC001052473413 764579713 /nfs/dbraw/zinc/57/97/13/764579713.db2.gz YHWOSEGBYHDGKQ-QWHCGFSZSA-N 1 2 349.460 0.810 20 30 ECEDLO C=CCOc1cccnc1C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001032115347 764629146 /nfs/dbraw/zinc/62/91/46/764629146.db2.gz WPCNBLHHUVCWMO-ZDUSSCGKSA-N 1 2 330.388 0.197 20 30 ECEDLO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nnc3ccccc3c2O)C1 ZINC001047548886 764662819 /nfs/dbraw/zinc/66/28/19/764662819.db2.gz KORXELRJCUXQCG-KBPBESRZSA-N 1 2 328.372 0.639 20 30 ECEDLO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nnc3ccccc3c2O)C1 ZINC001047548886 764662821 /nfs/dbraw/zinc/66/28/21/764662821.db2.gz KORXELRJCUXQCG-KBPBESRZSA-N 1 2 328.372 0.639 20 30 ECEDLO C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C)CCCS2(=O)=O)C1 ZINC001047561059 764695638 /nfs/dbraw/zinc/69/56/38/764695638.db2.gz QHHDVGXGUDBQOD-OFQRWUPVSA-N 1 2 344.477 0.423 20 30 ECEDLO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C)CCCS2(=O)=O)C1 ZINC001047561059 764695642 /nfs/dbraw/zinc/69/56/42/764695642.db2.gz QHHDVGXGUDBQOD-OFQRWUPVSA-N 1 2 344.477 0.423 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3ccc(OC)nn3)C2)nc1 ZINC001032135101 764783564 /nfs/dbraw/zinc/78/35/64/764783564.db2.gz JMFACUDRUZRWIJ-UHFFFAOYSA-N 1 2 337.383 0.723 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3c(C)nnn3CC)C2)cn1 ZINC001032137255 764790518 /nfs/dbraw/zinc/79/05/18/764790518.db2.gz MIPBDVVDCRENTM-UHFFFAOYSA-N 1 2 338.415 0.845 20 30 ECEDLO C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1CN(c1ccc(C#N)nn1)C2 ZINC001052596003 764822811 /nfs/dbraw/zinc/82/28/11/764822811.db2.gz BXTXBXZQTQMHPV-PXAZEXFGSA-N 1 2 337.387 0.599 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3ccccc3)n2)C1 ZINC001047624761 764915244 /nfs/dbraw/zinc/91/52/44/764915244.db2.gz YQVAJSWBFBLUOW-HOTGVXAUSA-N 1 2 325.372 0.018 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3ccccc3)n2)C1 ZINC001047624761 764915254 /nfs/dbraw/zinc/91/52/54/764915254.db2.gz YQVAJSWBFBLUOW-HOTGVXAUSA-N 1 2 325.372 0.018 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c[nH]1 ZINC001015546534 764927178 /nfs/dbraw/zinc/92/71/78/764927178.db2.gz SWXLQFHMLLRKGW-DGCLKSJQSA-N 1 2 340.387 0.867 20 30 ECEDLO Cn1nnc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)n1 ZINC001015554572 764951740 /nfs/dbraw/zinc/95/17/40/764951740.db2.gz OEAYHKOZVKSPLT-LBPRGKRZSA-N 1 2 329.339 0.225 20 30 ECEDLO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)n1 ZINC001015554572 764951746 /nfs/dbraw/zinc/95/17/46/764951746.db2.gz OEAYHKOZVKSPLT-LBPRGKRZSA-N 1 2 329.339 0.225 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1CNC(=O)CSCC#N ZINC001052812705 765166402 /nfs/dbraw/zinc/16/64/02/765166402.db2.gz ASZMTMPFAGTLFY-QWHCGFSZSA-N 1 2 349.460 0.810 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1CNC(=O)CSCC#N ZINC001052812705 765166404 /nfs/dbraw/zinc/16/64/04/765166404.db2.gz ASZMTMPFAGTLFY-QWHCGFSZSA-N 1 2 349.460 0.810 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)NC2CCCC2)C1 ZINC001015722117 765239114 /nfs/dbraw/zinc/23/91/14/765239114.db2.gz SWUUXSKUXZSYGX-XHSDSOJGSA-N 1 2 335.448 0.827 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC001015722117 765239120 /nfs/dbraw/zinc/23/91/20/765239120.db2.gz SWUUXSKUXZSYGX-XHSDSOJGSA-N 1 2 335.448 0.827 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ncnn3C)CC2)nc1 ZINC001052876406 765278068 /nfs/dbraw/zinc/27/80/68/765278068.db2.gz VNJBLSAVYJMOIF-HNNXBMFYSA-N 1 2 338.415 0.976 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ncnn3C)CC2)nc1 ZINC001052876406 765278076 /nfs/dbraw/zinc/27/80/76/765278076.db2.gz VNJBLSAVYJMOIF-HNNXBMFYSA-N 1 2 338.415 0.976 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001017675569 768281727 /nfs/dbraw/zinc/28/17/27/768281727.db2.gz IFBRJCUFOJRSOO-MELADBBJSA-N 1 2 329.404 0.245 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001017675569 768281731 /nfs/dbraw/zinc/28/17/31/768281731.db2.gz IFBRJCUFOJRSOO-MELADBBJSA-N 1 2 329.404 0.245 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3nccnc3C)C2)nn1 ZINC001015810272 765368984 /nfs/dbraw/zinc/36/89/84/765368984.db2.gz DSDDFAZKLQRFSY-ZDUSSCGKSA-N 1 2 327.392 0.567 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3nccnc3C)C2)nn1 ZINC001015810272 765368991 /nfs/dbraw/zinc/36/89/91/765368991.db2.gz DSDDFAZKLQRFSY-ZDUSSCGKSA-N 1 2 327.392 0.567 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C)cc3=O)C2)C1=O ZINC001015937276 765579806 /nfs/dbraw/zinc/57/98/06/765579806.db2.gz AHSIDYGIVGNOCN-ZFWWWQNUSA-N 1 2 344.415 0.274 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3c[nH]c(C)cc3=O)C2)C1=O ZINC001015937276 765579811 /nfs/dbraw/zinc/57/98/11/765579811.db2.gz AHSIDYGIVGNOCN-ZFWWWQNUSA-N 1 2 344.415 0.274 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccnc(C)n3)C2)nn1 ZINC001098785877 768304389 /nfs/dbraw/zinc/30/43/89/768304389.db2.gz ZQJZYFCXMXQXBA-CQSZACIVSA-N 1 2 325.376 0.187 20 30 ECEDLO C=C1CC(C)(C(=O)NC[C@H](O)CNc2[nH+]cnc3c2cnn3C)C1 ZINC001106095389 765619308 /nfs/dbraw/zinc/61/93/08/765619308.db2.gz ZOARNZSXHURDEG-LLVKDONJSA-N 1 2 330.392 0.609 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1nccn3ccnc13)CCO2 ZINC001053434528 766126456 /nfs/dbraw/zinc/12/64/56/766126456.db2.gz ORNHREMSDIBEPR-UHFFFAOYSA-N 1 2 327.388 0.832 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 ZINC001053470297 766187959 /nfs/dbraw/zinc/18/79/59/766187959.db2.gz KCKTZGHVBABIEV-UHFFFAOYSA-N 1 2 327.388 0.832 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C1(N3CCOCC3)CCC1)CCO2 ZINC001053493025 766232297 /nfs/dbraw/zinc/23/22/97/766232297.db2.gz IPNLRSMKVXDJKW-UHFFFAOYSA-N 1 2 349.475 0.731 20 30 ECEDLO C=CC[N@@H+]1CC[C@@]2(NC(=O)Cn3[nH]cc4c(=O)ncnc3-4)CCC[C@H]12 ZINC000992313902 766240727 /nfs/dbraw/zinc/24/07/27/766240727.db2.gz BLDGLUVZXGNYPP-GUYCJALGSA-N 1 2 342.403 0.370 20 30 ECEDLO C=CC[N@H+]1CC[C@@]2(NC(=O)Cn3[nH]cc4c(=O)ncnc3-4)CCC[C@H]12 ZINC000992313902 766240732 /nfs/dbraw/zinc/24/07/32/766240732.db2.gz BLDGLUVZXGNYPP-GUYCJALGSA-N 1 2 342.403 0.370 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001016405899 766241894 /nfs/dbraw/zinc/24/18/94/766241894.db2.gz BBAOQAYAYFXHGV-UHFFFAOYSA-N 1 2 340.387 0.582 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cnc(OCC)cn1)CCO2 ZINC001053550893 766319421 /nfs/dbraw/zinc/31/94/21/766319421.db2.gz DKPMULXJAQQHNF-UHFFFAOYSA-N 1 2 332.404 0.978 20 30 ECEDLO CO[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@H]1NC(=O)C#CC1CC1 ZINC001212250560 766408385 /nfs/dbraw/zinc/40/83/85/766408385.db2.gz AVFHECQRIAPCAH-HUUCEWRRSA-N 1 2 349.456 0.447 20 30 ECEDLO CO[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@H]1NC(=O)C#CC1CC1 ZINC001212250560 766408391 /nfs/dbraw/zinc/40/83/91/766408391.db2.gz AVFHECQRIAPCAH-HUUCEWRRSA-N 1 2 349.456 0.447 20 30 ECEDLO C=CCn1cc(C(=O)N(C)C2CC(NC(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC001016522916 766427562 /nfs/dbraw/zinc/42/75/62/766427562.db2.gz NYAPKMQKLZGZDW-UHFFFAOYSA-N 1 2 343.391 0.149 20 30 ECEDLO C=CCC(C)(C)C(=O)NC[C@@H](O)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001106129186 766435341 /nfs/dbraw/zinc/43/53/41/766435341.db2.gz DMLLQSPFPGHGEJ-ZDUSSCGKSA-N 1 2 347.463 0.956 20 30 ECEDLO C=CCC(C)(C)C(=O)NC[C@@H](O)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106129186 766435346 /nfs/dbraw/zinc/43/53/46/766435346.db2.gz DMLLQSPFPGHGEJ-ZDUSSCGKSA-N 1 2 347.463 0.956 20 30 ECEDLO C#CCN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCn3cc[nH+]c3C1)O2 ZINC001053619709 766450775 /nfs/dbraw/zinc/45/07/75/766450775.db2.gz VDIDCOJCDGBYDW-HUUCEWRRSA-N 1 2 328.416 0.428 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnn3c1OCCC3)O2 ZINC001053624399 766464008 /nfs/dbraw/zinc/46/40/08/766464008.db2.gz QKRUXKCPXIPYLP-CYBMUJFWSA-N 1 2 332.404 0.815 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCc2sc(C[NH2+][C@@H]3CCN(C)C3=O)nc2C1 ZINC001089273855 766469816 /nfs/dbraw/zinc/46/98/16/766469816.db2.gz HXRYNCCLDLENSH-WDEREUQCSA-N 1 2 347.444 0.508 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnc3nccn3c1)O2 ZINC001053630185 766476744 /nfs/dbraw/zinc/47/67/44/766476744.db2.gz HNHDEEKEABAYSK-AWEZNQCLSA-N 1 2 327.388 0.879 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c(C)c(C)n[nH]c1=O)O2 ZINC001053640618 766497630 /nfs/dbraw/zinc/49/76/30/766497630.db2.gz CNVZWTPUDVOABM-CYBMUJFWSA-N 1 2 332.404 0.948 20 30 ECEDLO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCc3nn[nH]c31)O2 ZINC001053654751 766521963 /nfs/dbraw/zinc/52/19/63/766521963.db2.gz VFAYFUZUIIVZRT-UONOGXRCSA-N 1 2 343.431 0.598 20 30 ECEDLO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCc3n[nH]nc31)O2 ZINC001053654751 766521970 /nfs/dbraw/zinc/52/19/70/766521970.db2.gz VFAYFUZUIIVZRT-UONOGXRCSA-N 1 2 343.431 0.598 20 30 ECEDLO Cn1ncnc1C[NH+]1CCC2(C[C@H]2NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001016576226 766525502 /nfs/dbraw/zinc/52/55/02/766525502.db2.gz MYSZIIXHNAOGBJ-CQSZACIVSA-N 1 2 339.403 0.799 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CC1)O2 ZINC001053674322 766556089 /nfs/dbraw/zinc/55/60/89/766556089.db2.gz LPJVJBJYAHFSOD-HOTGVXAUSA-N 1 2 347.459 0.923 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)n2)C[C@H]1OC ZINC001212256026 766561658 /nfs/dbraw/zinc/56/16/58/766561658.db2.gz SVGPCFAOFGKBKQ-FVQBIDKESA-N 1 2 347.415 0.444 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)n2)C[C@H]1OC ZINC001212256026 766561661 /nfs/dbraw/zinc/56/16/61/766561661.db2.gz SVGPCFAOFGKBKQ-FVQBIDKESA-N 1 2 347.415 0.444 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)nc2)C[C@H]1OC ZINC001212255831 766563617 /nfs/dbraw/zinc/56/36/17/766563617.db2.gz RGWGNARBTMSHSC-FVQBIDKESA-N 1 2 347.415 0.444 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)nc2)C[C@H]1OC ZINC001212255831 766563620 /nfs/dbraw/zinc/56/36/20/766563620.db2.gz RGWGNARBTMSHSC-FVQBIDKESA-N 1 2 347.415 0.444 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cn(CC3CC3)nn1)O2 ZINC001053683757 766579313 /nfs/dbraw/zinc/57/93/13/766579313.db2.gz HSWXHYFRVGMSTH-CQSZACIVSA-N 1 2 331.420 0.837 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001212257543 766598300 /nfs/dbraw/zinc/59/83/00/766598300.db2.gz DKJFZHNFEJZWGI-DAXOMENPSA-N 1 2 347.440 0.973 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001212257543 766598306 /nfs/dbraw/zinc/59/83/06/766598306.db2.gz DKJFZHNFEJZWGI-DAXOMENPSA-N 1 2 347.440 0.973 20 30 ECEDLO Cc1nc(C[N@H+]2CC[C@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)co1 ZINC001046011248 766636111 /nfs/dbraw/zinc/63/61/11/766636111.db2.gz AZZOJGTWMZBUPP-CJNGLKHVSA-N 1 2 331.420 0.861 20 30 ECEDLO Cc1nc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)co1 ZINC001046011248 766636112 /nfs/dbraw/zinc/63/61/12/766636112.db2.gz AZZOJGTWMZBUPP-CJNGLKHVSA-N 1 2 331.420 0.861 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[NH+]([C@H]2CCN(Cc3cnsn3)C2)CC1 ZINC001046012262 766638241 /nfs/dbraw/zinc/63/82/41/766638241.db2.gz MPTCRLQAYOBNHT-JSGCOSHPSA-N 1 2 334.449 0.416 20 30 ECEDLO Cc1nonc1C[N@@H+]1CC[C@H](N2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001046027137 766685547 /nfs/dbraw/zinc/68/55/47/766685547.db2.gz ILGSVFUZFIXESK-INIZCTEOSA-N 1 2 343.431 0.510 20 30 ECEDLO Cc1nonc1C[N@H+]1CC[C@H](N2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001046027137 766685552 /nfs/dbraw/zinc/68/55/52/766685552.db2.gz ILGSVFUZFIXESK-INIZCTEOSA-N 1 2 343.431 0.510 20 30 ECEDLO O=C(C#CC1CC1)N1CCN([C@@H]2CC[N@H+](Cc3ccon3)C2)CC1 ZINC001046028070 766689781 /nfs/dbraw/zinc/68/97/81/766689781.db2.gz XIZVIDQZPRNQBG-QGZVFWFLSA-N 1 2 328.416 0.807 20 30 ECEDLO O=C(C#CC1CC1)N1CCN([C@@H]2CC[N@@H+](Cc3ccon3)C2)CC1 ZINC001046028070 766689786 /nfs/dbraw/zinc/68/97/86/766689786.db2.gz XIZVIDQZPRNQBG-QGZVFWFLSA-N 1 2 328.416 0.807 20 30 ECEDLO Cc1ccn(C[C@H](C)C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)n1 ZINC001046032350 766704971 /nfs/dbraw/zinc/70/49/71/766704971.db2.gz BQCFTNGBKIWDEU-DOTOQJQBSA-N 1 2 344.463 0.570 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cn4c(n3)CCCC4)CC2)C1 ZINC001046034207 766712365 /nfs/dbraw/zinc/71/23/65/766712365.db2.gz RLZYXCJEACTAOD-HNNXBMFYSA-N 1 2 342.447 0.575 20 30 ECEDLO CCOc1ccc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)cn1 ZINC001046034692 766716874 /nfs/dbraw/zinc/71/68/74/766716874.db2.gz XSORDSMSHJSTMH-INIZCTEOSA-N 1 2 343.431 0.836 20 30 ECEDLO COc1ccncc1CC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046039310 766742402 /nfs/dbraw/zinc/74/24/02/766742402.db2.gz VPIKUVCPNOPVOH-MRXNPFEDSA-N 1 2 343.431 0.375 20 30 ECEDLO Cn1cnnc1C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 ZINC001042001477 782582451 /nfs/dbraw/zinc/58/24/51/782582451.db2.gz YVHOGXUQAPDGBZ-ZFWWWQNUSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1cnnc1C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 ZINC001042001477 782582453 /nfs/dbraw/zinc/58/24/53/782582453.db2.gz YVHOGXUQAPDGBZ-ZFWWWQNUSA-N 1 2 339.403 0.751 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc(OC(C)C)cn1)CO2 ZINC001053801986 766886147 /nfs/dbraw/zinc/88/61/47/766886147.db2.gz XERRHYLDGXPUIX-CQSZACIVSA-N 1 2 344.415 0.860 20 30 ECEDLO C#CCN1CC2(C1)C[C@H](NC(=O)c1cc([C@@H]3CCC[N@H+]3C)n[nH]1)CO2 ZINC001053805201 766894606 /nfs/dbraw/zinc/89/46/06/766894606.db2.gz MSVPOVIFCAQMRH-BBRMVZONSA-N 1 2 343.431 0.383 20 30 ECEDLO C#CCN1CC2(C1)C[C@H](NC(=O)c1cc([C@@H]3CCC[N@@H+]3C)n[nH]1)CO2 ZINC001053805201 766894617 /nfs/dbraw/zinc/89/46/17/766894617.db2.gz MSVPOVIFCAQMRH-BBRMVZONSA-N 1 2 343.431 0.383 20 30 ECEDLO CC#CCN1CC2(C1)C[C@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)CO2 ZINC001053807129 766898035 /nfs/dbraw/zinc/89/80/35/766898035.db2.gz BISBXVOKZPKUSJ-INIZCTEOSA-N 1 2 342.443 0.745 20 30 ECEDLO C[C@@H](Oc1ccccn1)C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046076771 766904982 /nfs/dbraw/zinc/90/49/82/766904982.db2.gz PSULXHKQXBPYGJ-HZPDHXFCSA-N 1 2 343.431 0.591 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cc1nnn(C(C)(C)C)n1)CO2 ZINC001053814530 766911849 /nfs/dbraw/zinc/91/18/49/766911849.db2.gz PINFKSKRFWVISR-ZDUSSCGKSA-N 1 2 348.451 0.506 20 30 ECEDLO Cc1n[nH]c(C)c1CCC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046082560 766921989 /nfs/dbraw/zinc/92/19/89/766921989.db2.gz UJIQGOFILDARJU-INIZCTEOSA-N 1 2 344.463 0.701 20 30 ECEDLO CC(C)c1ncncc1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046084190 766924204 /nfs/dbraw/zinc/92/42/04/766924204.db2.gz LWABNWBXDOGYIL-OAHLLOKOSA-N 1 2 342.447 0.956 20 30 ECEDLO CN(C)c1ncccc1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046084499 766924682 /nfs/dbraw/zinc/92/46/82/766924682.db2.gz QZODILUZBIVFHK-HNNXBMFYSA-N 1 2 342.447 0.503 20 30 ECEDLO CCOc1cnc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)cn1 ZINC001046089557 766931516 /nfs/dbraw/zinc/93/15/16/766931516.db2.gz GXJNFACEJZIAKV-AWEZNQCLSA-N 1 2 344.419 0.231 20 30 ECEDLO Cn1ncc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)c1C1CC1 ZINC001046090593 766932376 /nfs/dbraw/zinc/93/23/76/766932376.db2.gz ZDZJFFVAISOFJJ-HNNXBMFYSA-N 1 2 342.447 0.653 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)c2c(C)nn(C)c2C)C1=O ZINC001038569728 766938451 /nfs/dbraw/zinc/93/84/51/766938451.db2.gz UWJMPEIARTYEHD-CABCVRRESA-N 1 2 345.447 0.628 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)c2c(C)nn(C)c2C)C1=O ZINC001038569728 766938459 /nfs/dbraw/zinc/93/84/59/766938459.db2.gz UWJMPEIARTYEHD-CABCVRRESA-N 1 2 345.447 0.628 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)CO2 ZINC001053822392 766940444 /nfs/dbraw/zinc/94/04/44/766940444.db2.gz MGXHFDVPCPMABE-HUUCEWRRSA-N 1 2 347.459 0.616 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1cnn3c1CCCC3)CO2 ZINC001053834534 766972436 /nfs/dbraw/zinc/97/24/36/766972436.db2.gz OUKWLAWHUIGOPJ-MRXNPFEDSA-N 1 2 342.443 0.745 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1nc(OC)cc(OC)n1)CO2 ZINC001053846442 767004274 /nfs/dbraw/zinc/00/42/74/767004274.db2.gz FPSTXTJFPJJCIN-LBPRGKRZSA-N 1 2 346.387 0.090 20 30 ECEDLO CC#CCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3[nH+]ccn3C1)CO2 ZINC001053852214 767021658 /nfs/dbraw/zinc/02/16/58/767021658.db2.gz ILMQEMXFFRHFFE-HUUCEWRRSA-N 1 2 328.416 0.428 20 30 ECEDLO CC#CCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3c[nH+]cn3C1)CO2 ZINC001053853041 767026024 /nfs/dbraw/zinc/02/60/24/767026024.db2.gz WCOJZLHNEQIFAI-HUUCEWRRSA-N 1 2 328.416 0.428 20 30 ECEDLO C#CCCN1CC2(C1)C[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)CO2 ZINC001053853900 767028454 /nfs/dbraw/zinc/02/84/54/767028454.db2.gz PUMYIHBUSAXIGQ-CYBMUJFWSA-N 1 2 332.404 0.333 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccnc3c1CC(=O)N3)CO2 ZINC001053857291 767041128 /nfs/dbraw/zinc/04/11/28/767041128.db2.gz AQHORGYJHJKJHV-LBPRGKRZSA-N 1 2 340.383 0.173 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@@H](O)C2)cc1F ZINC001083709249 767075443 /nfs/dbraw/zinc/07/54/43/767075443.db2.gz GSKYLBFLZMECJP-FITYOTRXSA-N 1 2 345.374 0.251 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@@H](O)C2)cc1F ZINC001083709249 767075453 /nfs/dbraw/zinc/07/54/53/767075453.db2.gz GSKYLBFLZMECJP-FITYOTRXSA-N 1 2 345.374 0.251 20 30 ECEDLO C[C@@H](C#N)C(=O)NCC1=CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001127582817 767094672 /nfs/dbraw/zinc/09/46/72/767094672.db2.gz RXRBDFOWYVBWPU-NSHDSACASA-N 1 2 325.376 0.776 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001046320634 767146116 /nfs/dbraw/zinc/14/61/16/767146116.db2.gz XBWBIKPUYLCQNO-IGCXYCKISA-N 1 2 349.435 0.170 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001046320634 767146119 /nfs/dbraw/zinc/14/61/19/767146119.db2.gz XBWBIKPUYLCQNO-IGCXYCKISA-N 1 2 349.435 0.170 20 30 ECEDLO C#CCN1CC2(C1)C[C@@H](NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1)CO2 ZINC001053882058 767158292 /nfs/dbraw/zinc/15/82/92/767158292.db2.gz RZXAAYBTWSPLRI-IAGOWNOFSA-N 1 2 347.459 0.080 20 30 ECEDLO C#CCN1CC2(C1)C[C@@H](NC(=O)[C@H]1COCC[N@H+]1CC1CCC1)CO2 ZINC001053882058 767158294 /nfs/dbraw/zinc/15/82/94/767158294.db2.gz RZXAAYBTWSPLRI-IAGOWNOFSA-N 1 2 347.459 0.080 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001046359893 767167825 /nfs/dbraw/zinc/16/78/25/767167825.db2.gz LSXJOXKEUXLSDW-SMDDNHRTSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001046359893 767167827 /nfs/dbraw/zinc/16/78/27/767167827.db2.gz LSXJOXKEUXLSDW-SMDDNHRTSA-N 1 2 344.253 0.954 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Cn2ccc(C)n2)[C@H](OC)C1 ZINC001212330072 767227486 /nfs/dbraw/zinc/22/74/86/767227486.db2.gz LGWCSSDZOMSSTC-USXIJHARSA-N 1 2 348.447 0.293 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cn2ccc(C)n2)[C@H](OC)C1 ZINC001212330072 767227488 /nfs/dbraw/zinc/22/74/88/767227488.db2.gz LGWCSSDZOMSSTC-USXIJHARSA-N 1 2 348.447 0.293 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](CC)C(N)=O)C[C@H]1OC ZINC001212337341 767253445 /nfs/dbraw/zinc/25/34/45/767253445.db2.gz IXRJETRCVWGSAW-IJLUTSLNSA-N 1 2 331.844 0.844 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](CC)C(N)=O)C[C@H]1OC ZINC001212337341 767253449 /nfs/dbraw/zinc/25/34/49/767253449.db2.gz IXRJETRCVWGSAW-IJLUTSLNSA-N 1 2 331.844 0.844 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1OC ZINC001212337655 767254047 /nfs/dbraw/zinc/25/40/47/767254047.db2.gz ZQFOEKRMIUBUAA-JHJVBQTASA-N 1 2 343.855 0.811 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1OC ZINC001212337655 767254048 /nfs/dbraw/zinc/25/40/48/767254048.db2.gz ZQFOEKRMIUBUAA-JHJVBQTASA-N 1 2 343.855 0.811 20 30 ECEDLO Cn1nnc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC001046544951 767295942 /nfs/dbraw/zinc/29/59/42/767295942.db2.gz VGROVBIUCFYTBJ-INIZCTEOSA-N 1 2 343.366 0.615 20 30 ECEDLO Cn1nnc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC001046544951 767295944 /nfs/dbraw/zinc/29/59/44/767295944.db2.gz VGROVBIUCFYTBJ-INIZCTEOSA-N 1 2 343.366 0.615 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2COC3(C[NH+]([C@H](C)COC)C3)C2)c1 ZINC001053918859 767357384 /nfs/dbraw/zinc/35/73/84/767357384.db2.gz XLHSMQVDQIHFDN-CZUORRHYSA-N 1 2 329.400 0.671 20 30 ECEDLO N#Cc1cnc(NC[C@@H](O)CNC(=O)CCc2c[nH]c[nH+]2)c(F)c1 ZINC001106150125 767363714 /nfs/dbraw/zinc/36/37/14/767363714.db2.gz LQQJNESJIGYPCI-LBPRGKRZSA-N 1 2 332.339 0.337 20 30 ECEDLO N#Cc1cnc(NC[C@@H](O)CNC(=O)CCc2c[nH+]c[nH]2)c(F)c1 ZINC001106150125 767363724 /nfs/dbraw/zinc/36/37/24/767363724.db2.gz LQQJNESJIGYPCI-LBPRGKRZSA-N 1 2 332.339 0.337 20 30 ECEDLO Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)CCc2c[nH]c[nH+]2)n1 ZINC001106150262 767364474 /nfs/dbraw/zinc/36/44/74/767364474.db2.gz PETGRZDNZRLDMM-AWEZNQCLSA-N 1 2 328.376 0.507 20 30 ECEDLO Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)CCc2c[nH+]c[nH]2)n1 ZINC001106150262 767364482 /nfs/dbraw/zinc/36/44/82/767364482.db2.gz PETGRZDNZRLDMM-AWEZNQCLSA-N 1 2 328.376 0.507 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC001046619658 767374607 /nfs/dbraw/zinc/37/46/07/767374607.db2.gz XVUKKTIHEVMZTE-DVOMOZLQSA-N 1 2 343.855 0.955 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC001046619658 767374611 /nfs/dbraw/zinc/37/46/11/767374611.db2.gz XVUKKTIHEVMZTE-DVOMOZLQSA-N 1 2 343.855 0.955 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC(=O)N(CCC)C1)CO2 ZINC001053940607 767409340 /nfs/dbraw/zinc/40/93/40/767409340.db2.gz ICARUKMLNREBDL-HUUCEWRRSA-N 1 2 335.448 0.781 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C1CCS(=O)(=O)CC1)CO2 ZINC001053943391 767415210 /nfs/dbraw/zinc/41/52/10/767415210.db2.gz DLODUUPGAZLEPX-CQSZACIVSA-N 1 2 342.461 0.347 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1ccc(C)cc1=O)CO2 ZINC001053944682 767418548 /nfs/dbraw/zinc/41/85/48/767418548.db2.gz FWJGWHPRSTUWPG-OAHLLOKOSA-N 1 2 331.416 0.692 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1c(C)nn(C)c1OC)CO2 ZINC001053945425 767422199 /nfs/dbraw/zinc/42/21/99/767422199.db2.gz WOLNPUGEXRWCSY-ZDUSSCGKSA-N 1 2 332.404 0.334 20 30 ECEDLO N#CCN1CC2(C1)C[C@@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)CO2 ZINC001053972657 767499084 /nfs/dbraw/zinc/49/90/84/767499084.db2.gz JAFANEQSHGNVOX-CYBMUJFWSA-N 1 2 338.371 0.364 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001053985734 767535841 /nfs/dbraw/zinc/53/58/41/767535841.db2.gz XZXLFEOECYUCGK-KBPBESRZSA-N 1 2 345.399 0.048 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@@H](C[N@H+](C)Cc2nnnn2C2CC2)C1 ZINC001017076431 767555315 /nfs/dbraw/zinc/55/53/15/767555315.db2.gz HCMWMDBHTWCRPI-OLZOCXBDSA-N 1 2 331.424 0.838 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2nnnn2C2CC2)C1 ZINC001017076431 767555322 /nfs/dbraw/zinc/55/53/22/767555322.db2.gz HCMWMDBHTWCRPI-OLZOCXBDSA-N 1 2 331.424 0.838 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1c(C)csc1=O)CO2 ZINC001054003989 767569802 /nfs/dbraw/zinc/56/98/02/767569802.db2.gz DWYLYQOEMMLAOP-CYBMUJFWSA-N 1 2 337.445 0.754 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(=O)n(CCC)n1)CO2 ZINC001054005062 767573685 /nfs/dbraw/zinc/57/36/85/767573685.db2.gz DTHNOLJGPKDBNE-CQSZACIVSA-N 1 2 344.415 0.250 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCCNC1=O ZINC001054043117 767642166 /nfs/dbraw/zinc/64/21/66/767642166.db2.gz QFSGEIWTHPTTAR-IRXDYDNUSA-N 1 2 325.412 0.689 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCCNC1=O ZINC001054043117 767642170 /nfs/dbraw/zinc/64/21/70/767642170.db2.gz QFSGEIWTHPTTAR-IRXDYDNUSA-N 1 2 325.412 0.689 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@@]2(CC[N@H+](Cc3nnnn3C3CC3)C2)C1 ZINC001054101606 767691651 /nfs/dbraw/zinc/69/16/51/767691651.db2.gz BEMSRKHIMPGMPK-DYVFJYSZSA-N 1 2 343.435 0.982 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@@]2(CC[N@@H+](Cc3nnnn3C3CC3)C2)C1 ZINC001054101606 767691655 /nfs/dbraw/zinc/69/16/55/767691655.db2.gz BEMSRKHIMPGMPK-DYVFJYSZSA-N 1 2 343.435 0.982 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)CCOCCNc1ccc(C#N)nn1 ZINC001127351954 768418143 /nfs/dbraw/zinc/41/81/43/768418143.db2.gz UXTKWULTTMCSAA-UHFFFAOYSA-N 1 2 343.391 0.509 20 30 ECEDLO CN(CCOCCNc1ncc(C#N)cc1F)C(=O)Cc1[nH]cc[nH+]1 ZINC001127357001 768464109 /nfs/dbraw/zinc/46/41/09/768464109.db2.gz JOWPKRDAZSETFP-UHFFFAOYSA-N 1 2 346.366 0.945 20 30 ECEDLO 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N#Cc1nccnc1N1C[C@@H]2CCC[C@]2(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001055550355 769092980 /nfs/dbraw/zinc/09/29/80/769092980.db2.gz FYPWMQYDGQUBGH-SJCJKPOMSA-N 1 2 337.387 0.789 20 30 ECEDLO C[C@@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001018364379 769205586 /nfs/dbraw/zinc/20/55/86/769205586.db2.gz RRNAIRWZJBBJJJ-YPMHNXCESA-N 1 2 340.387 0.961 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3cnco3)C2)CC1 ZINC001018371769 769230356 /nfs/dbraw/zinc/23/03/56/769230356.db2.gz ZNOGCENVMBCVGD-AWEZNQCLSA-N 1 2 332.404 0.857 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3nc(C)c[nH]3)C2)CC1 ZINC001018376799 769247105 /nfs/dbraw/zinc/24/71/05/769247105.db2.gz YJGMHZSMTNKBBO-OAHLLOKOSA-N 1 2 345.447 0.901 20 30 ECEDLO CCC(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1c1c[nH+]cn1C ZINC000993607407 769353199 /nfs/dbraw/zinc/35/31/99/769353199.db2.gz RWKULTCZABLGMT-TZMCWYRMSA-N 1 2 340.387 0.754 20 30 ECEDLO Cc1noc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCCO2)n1 ZINC001078373580 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C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2cc(CC)n(C)n2)CC1 ZINC001071024053 784451234 /nfs/dbraw/zinc/45/12/34/784451234.db2.gz BIQTVTMSVJQICJ-UHFFFAOYSA-N 1 2 347.463 0.823 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)C2CCOCC2)CC1 ZINC001071027003 784456982 /nfs/dbraw/zinc/45/69/82/784456982.db2.gz VSFOFXGMVIEDLE-OAHLLOKOSA-N 1 2 337.464 0.886 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)C2CCOCC2)CC1 ZINC001071027003 784456988 /nfs/dbraw/zinc/45/69/88/784456988.db2.gz VSFOFXGMVIEDLE-OAHLLOKOSA-N 1 2 337.464 0.886 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ccncc2F)C[C@H]1NCC#N ZINC001070633936 784469504 /nfs/dbraw/zinc/46/95/04/784469504.db2.gz APYWBGYJVRQPID-TZMCWYRMSA-N 1 2 328.351 0.676 20 30 ECEDLO Cc1cc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)c(C)nn1 ZINC001070652113 784499685 /nfs/dbraw/zinc/49/96/85/784499685.db2.gz AKOBVHSPSAJCLN-HUUCEWRRSA-N 1 2 339.403 0.548 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CCc2ccnn2C)C[C@H]1NCC#N ZINC001070653479 784501735 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0.873 20 30 ECEDLO CC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)C(=O)C1 ZINC001071260123 784870614 /nfs/dbraw/zinc/87/06/14/784870614.db2.gz IYXJWJVCNPGLJS-AWEZNQCLSA-N 1 2 329.404 0.655 20 30 ECEDLO CC[N@H+]1CCN([C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)C(=O)C1 ZINC001071260123 784870616 /nfs/dbraw/zinc/87/06/16/784870616.db2.gz IYXJWJVCNPGLJS-AWEZNQCLSA-N 1 2 329.404 0.655 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CCCCO3)C2)C(=O)C1 ZINC001071262662 784876825 /nfs/dbraw/zinc/87/68/25/784876825.db2.gz PXZVXGWRBYPZJE-SJORKVTESA-N 1 2 347.459 0.714 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CCCCO3)C2)C(=O)C1 ZINC001071262662 784876833 /nfs/dbraw/zinc/87/68/33/784876833.db2.gz PXZVXGWRBYPZJE-SJORKVTESA-N 1 2 347.459 0.714 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@]3(C)CCOC3)C2)C(=O)C1 ZINC001071275251 784914404 /nfs/dbraw/zinc/91/44/04/784914404.db2.gz AMAQNNJVAVBHDV-VQIMIIECSA-N 1 2 347.459 0.572 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@]3(C)CCOC3)C2)C(=O)C1 ZINC001071275251 784914410 /nfs/dbraw/zinc/91/44/10/784914410.db2.gz AMAQNNJVAVBHDV-VQIMIIECSA-N 1 2 347.459 0.572 20 30 ECEDLO C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)Cc3nnc[nH]3)C2)C(=O)C1 ZINC001071275877 784917497 /nfs/dbraw/zinc/91/74/97/784917497.db2.gz RRBGEHULCXQOCH-CQSZACIVSA-N 1 2 346.435 0.059 20 30 ECEDLO C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)Cc3nnc[nH]3)C2)C(=O)C1 ZINC001071275877 784917498 /nfs/dbraw/zinc/91/74/98/784917498.db2.gz RRBGEHULCXQOCH-CQSZACIVSA-N 1 2 346.435 0.059 20 30 ECEDLO C=CCN1CCN([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C(=O)C1 ZINC001071279253 784926357 /nfs/dbraw/zinc/92/63/57/784926357.db2.gz QPDHMOIXJGCANT-OAHLLOKOSA-N 1 2 331.420 0.204 20 30 ECEDLO C=CCOCCCC(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001071874458 785252490 /nfs/dbraw/zinc/25/24/90/785252490.db2.gz KBULJTOWKCVBAU-ZIAGYGMSSA-N 1 2 334.420 0.898 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)CC[C@H]1C ZINC001071625587 785410813 /nfs/dbraw/zinc/41/08/13/785410813.db2.gz PYSUTDMCSSILEL-NEPJUHHUSA-N 1 2 327.816 0.303 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)CC[C@H]1C ZINC001071625587 785410819 /nfs/dbraw/zinc/41/08/19/785410819.db2.gz PYSUTDMCSSILEL-NEPJUHHUSA-N 1 2 327.816 0.303 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)CC[C@@H]1C ZINC001071969021 785439693 /nfs/dbraw/zinc/43/96/93/785439693.db2.gz YFOMKNYJVLZGNO-RYUDHWBXSA-N 1 2 342.827 0.650 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)CC[C@@H]1C ZINC001071969021 785439697 /nfs/dbraw/zinc/43/96/97/785439697.db2.gz YFOMKNYJVLZGNO-RYUDHWBXSA-N 1 2 342.827 0.650 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001071994186 785493492 /nfs/dbraw/zinc/49/34/92/785493492.db2.gz AHCPVDPNPDSISH-ZIAGYGMSSA-N 1 2 332.404 0.345 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cn2nc(C)n(C)c2=O)CC[C@H]1C ZINC001072033840 785556360 /nfs/dbraw/zinc/55/63/60/785556360.db2.gz PQHBHSSJVFJLMO-DGCLKSJQSA-N 1 2 341.843 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ZINC001074279079 786575310 /nfs/dbraw/zinc/57/53/10/786575310.db2.gz FULIDAFIJRYCPG-HZPDHXFCSA-N 1 2 344.415 0.352 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn4c(n3)COCC4)C[C@H]21 ZINC001074279079 786575317 /nfs/dbraw/zinc/57/53/17/786575317.db2.gz FULIDAFIJRYCPG-HZPDHXFCSA-N 1 2 344.415 0.352 20 30 ECEDLO CC#CCN1CCO[C@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@@H]21 ZINC001074301763 786629553 /nfs/dbraw/zinc/62/95/53/786629553.db2.gz GPIVMLWNVVNMPB-HOTGVXAUSA-N 1 2 330.432 0.678 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(CC=C)nn3)C[C@@H]21 ZINC001074353028 786736527 /nfs/dbraw/zinc/73/65/27/786736527.db2.gz BAPZCSYHZUBEJJ-JKSUJKDBSA-N 1 2 329.404 0.403 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(CC=C)nn3)C[C@@H]21 ZINC001074353028 786736535 /nfs/dbraw/zinc/73/65/35/786736535.db2.gz BAPZCSYHZUBEJJ-JKSUJKDBSA-N 1 2 329.404 0.403 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccn(C)c3=O)C[C@@H]21 ZINC001074383398 786815552 /nfs/dbraw/zinc/81/55/52/786815552.db2.gz 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C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3c(C)n[nH]c3C)C[C@H]21 ZINC001074405544 786879833 /nfs/dbraw/zinc/87/98/33/786879833.db2.gz STQHURMGZNLJGH-SJORKVTESA-N 1 2 330.432 0.894 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3c(C)n[nH]c3C)C[C@H]21 ZINC001074405544 786879846 /nfs/dbraw/zinc/87/98/46/786879846.db2.gz STQHURMGZNLJGH-SJORKVTESA-N 1 2 330.432 0.894 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCn3cc(C)cn3)C[C@@H]21 ZINC001074415150 786912476 /nfs/dbraw/zinc/91/24/76/786912476.db2.gz LMMRHNPMBCUFHG-IRXDYDNUSA-N 1 2 330.432 0.907 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCn3cc(C)cn3)C[C@@H]21 ZINC001074415150 786912481 /nfs/dbraw/zinc/91/24/81/786912481.db2.gz LMMRHNPMBCUFHG-IRXDYDNUSA-N 1 2 330.432 0.907 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(C(N)=O)n3)C[C@H]21 ZINC001074417041 786917096 /nfs/dbraw/zinc/91/70/96/786917096.db2.gz HOFGABDZDUGBOE-HZPDHXFCSA-N 1 2 342.399 0.119 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(C(N)=O)n3)C[C@H]21 ZINC001074417041 786917104 /nfs/dbraw/zinc/91/71/04/786917104.db2.gz HOFGABDZDUGBOE-HZPDHXFCSA-N 1 2 342.399 0.119 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1CN(CC#N)CCCO1)C2 ZINC001073670698 786925182 /nfs/dbraw/zinc/92/51/82/786925182.db2.gz LXRAHDIPSQFIFD-KGLIPLIRSA-N 1 2 331.420 0.554 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1CN(CC#N)CCCO1)CC2 ZINC001073670698 786925186 /nfs/dbraw/zinc/92/51/86/786925186.db2.gz LXRAHDIPSQFIFD-KGLIPLIRSA-N 1 2 331.420 0.554 20 30 ECEDLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1NC(=O)CSCC#N ZINC001073743674 787103323 /nfs/dbraw/zinc/10/33/23/787103323.db2.gz CKCSBJCFYTXZKP-UONOGXRCSA-N 1 2 349.460 0.883 20 30 ECEDLO C=CCCC(=O)N1CCC(O)(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001074512212 787133287 /nfs/dbraw/zinc/13/32/87/787133287.db2.gz LZMYWDQHEZVHAE-UHFFFAOYSA-N 1 2 334.420 0.778 20 30 ECEDLO C=CCCC(=O)N1CCC(O)(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001074512212 787133290 /nfs/dbraw/zinc/13/32/90/787133290.db2.gz LZMYWDQHEZVHAE-UHFFFAOYSA-N 1 2 334.420 0.778 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001073766524 787161175 /nfs/dbraw/zinc/16/11/75/787161175.db2.gz HUMJRLBEWYIHIU-LLVKDONJSA-N 1 2 340.811 0.687 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001073766524 787161179 /nfs/dbraw/zinc/16/11/79/787161179.db2.gz HUMJRLBEWYIHIU-LLVKDONJSA-N 1 2 340.811 0.687 20 30 ECEDLO C#CCCCC(=O)N1CCC(O)(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001074565698 787272165 /nfs/dbraw/zinc/27/21/65/787272165.db2.gz RFZASJVFTMFPDG-UHFFFAOYSA-N 1 2 346.431 0.546 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCCO[C@@H](CNC(=O)c3nnc[nH]3)C2)s1 ZINC001073825030 787279467 /nfs/dbraw/zinc/27/94/67/787279467.db2.gz CMVSRECTJLCEDE-NSHDSACASA-N 1 2 346.416 0.759 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCCO[C@@H](CNC(=O)c3nnc[nH]3)C2)s1 ZINC001073825030 787279471 /nfs/dbraw/zinc/27/94/71/787279471.db2.gz CMVSRECTJLCEDE-NSHDSACASA-N 1 2 346.416 0.759 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NCC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001074632092 787454319 /nfs/dbraw/zinc/45/43/19/787454319.db2.gz UMZZYTRXLYDRCE-KRWDZBQOSA-N 1 2 348.447 0.955 20 30 ECEDLO C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001073895794 787463758 /nfs/dbraw/zinc/46/37/58/787463758.db2.gz BLAHMDODPQJXEQ-KBPBESRZSA-N 1 2 330.450 0.347 20 30 ECEDLO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001073895794 787463765 /nfs/dbraw/zinc/46/37/65/787463765.db2.gz BLAHMDODPQJXEQ-KBPBESRZSA-N 1 2 330.450 0.347 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001073960098 787586516 /nfs/dbraw/zinc/58/65/16/787586516.db2.gz KSBTUAPHFROQHS-LSDHHAIUSA-N 1 2 332.404 0.276 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001074149905 787946168 /nfs/dbraw/zinc/94/61/68/787946168.db2.gz PYAVYMFHPXTNKD-KBPBESRZSA-N 1 2 334.420 0.898 20 30 ECEDLO C[C@@H](c1nncn1C)[N@@H+]1CCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001072595237 788392049 /nfs/dbraw/zinc/39/20/49/788392049.db2.gz IZLGYBVSEYVHLR-LBPRGKRZSA-N 1 2 339.403 0.924 20 30 ECEDLO C[C@@H](c1nncn1C)[N@H+]1CCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001072595237 788392056 /nfs/dbraw/zinc/39/20/56/788392056.db2.gz IZLGYBVSEYVHLR-LBPRGKRZSA-N 1 2 339.403 0.924 20 30 ECEDLO C=CCn1cc(C(=O)N2CC3(C2)CC[N@@H+](Cc2nnc(C)o2)C3)nn1 ZINC001073043456 789335072 /nfs/dbraw/zinc/33/50/72/789335072.db2.gz ZXBWKNCRWTWOJR-UHFFFAOYSA-N 1 2 343.391 0.504 20 30 ECEDLO C=CCn1cc(C(=O)N2CC3(C2)CC[N@H+](Cc2nnc(C)o2)C3)nn1 ZINC001073043456 789335082 /nfs/dbraw/zinc/33/50/82/789335082.db2.gz ZXBWKNCRWTWOJR-UHFFFAOYSA-N 1 2 343.391 0.504 20 30 ECEDLO N#CCN[C@@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001075414998 789343426 /nfs/dbraw/zinc/34/34/26/789343426.db2.gz CIUWSRADNQPYEQ-NVXWUHKLSA-N 1 2 331.420 0.852 20 30 ECEDLO N#CCN[C@H]1CCCO[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001075414999 789343475 /nfs/dbraw/zinc/34/34/75/789343475.db2.gz CIUWSRADNQPYEQ-RDJZCZTQSA-N 1 2 331.420 0.852 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001073102968 789445464 /nfs/dbraw/zinc/44/54/64/789445464.db2.gz LTHKUSBZNUVAFV-AWEZNQCLSA-N 1 2 346.431 0.878 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001073102968 789445468 /nfs/dbraw/zinc/44/54/68/789445468.db2.gz LTHKUSBZNUVAFV-AWEZNQCLSA-N 1 2 346.431 0.878 20 30 ECEDLO N#Cc1ccc(N2CC[C@@]3(NC(=O)Cc4c[nH]c[nH+]4)CCC[C@@H]23)nn1 ZINC001069291824 789735663 /nfs/dbraw/zinc/73/56/63/789735663.db2.gz RWUKIEHLOBLYCM-PBHICJAKSA-N 1 2 337.387 0.932 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC001073347094 789748803 /nfs/dbraw/zinc/74/88/03/789748803.db2.gz JMXJOHHDAVXHGY-ZDUSSCGKSA-N 1 2 334.420 0.898 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCCN1c1cnc(C#N)cn1 ZINC001069375242 789783252 /nfs/dbraw/zinc/78/32/52/789783252.db2.gz GHDFIVIKVXQEQM-WFASDCNBSA-N 1 2 339.403 0.798 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1c1cnc(C#N)cn1 ZINC001069415179 789811537 /nfs/dbraw/zinc/81/15/37/789811537.db2.gz MEUMZDIIZSXXCQ-RISCZKNCSA-N 1 2 325.376 0.788 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC001073421321 789814903 /nfs/dbraw/zinc/81/49/03/789814903.db2.gz SXSZRPZJGQAZPR-CQSZACIVSA-N 1 2 334.420 0.829 20 30 ECEDLO CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1Nc1nccnc1C#N ZINC001069583800 789918675 /nfs/dbraw/zinc/91/86/75/789918675.db2.gz NXYKQBZBQKKDMD-LBPRGKRZSA-N 1 2 325.376 0.963 20 30 ECEDLO C#CCN1CCn2ncc(CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)c2C1 ZINC001069865645 790122080 /nfs/dbraw/zinc/12/20/80/790122080.db2.gz MAKQMZDDODQKHA-CQSZACIVSA-N 1 2 338.415 0.407 20 30 ECEDLO C=CCN1CCn2ncc(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)c2C1 ZINC001069865891 790122832 /nfs/dbraw/zinc/12/28/32/790122832.db2.gz REVJLZNOWOTGFK-AWEZNQCLSA-N 1 2 340.431 0.960 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2cccs2)[C@@H](n2ccnn2)C1 ZINC001069890090 790158840 /nfs/dbraw/zinc/15/88/40/790158840.db2.gz BYZUKOFEDPENFQ-CABCVRRESA-N 1 2 329.429 0.947 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2cccs2)[C@@H](n2ccnn2)C1 ZINC001069890090 790158842 /nfs/dbraw/zinc/15/88/42/790158842.db2.gz BYZUKOFEDPENFQ-CABCVRRESA-N 1 2 329.429 0.947 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C(C)C)[C@@H](n3ccnn3)C2)C1=O ZINC001069897389 790165307 /nfs/dbraw/zinc/16/53/07/790165307.db2.gz NWOVEYGBHSYRSO-KFWWJZLASA-N 1 2 346.435 0.063 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C(C)C)[C@@H](n3ccnn3)C2)C1=O ZINC001069897389 790165310 /nfs/dbraw/zinc/16/53/10/790165310.db2.gz NWOVEYGBHSYRSO-KFWWJZLASA-N 1 2 346.435 0.063 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)n2cccc2)[C@@H](n2ccnn2)C1 ZINC001069910409 790179260 /nfs/dbraw/zinc/17/92/60/790179260.db2.gz SXBGWIPNIAUHJC-OAGGEKHMSA-N 1 2 326.404 0.706 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)n2cccc2)[C@@H](n2ccnn2)C1 ZINC001069910409 790179263 /nfs/dbraw/zinc/17/92/63/790179263.db2.gz SXBGWIPNIAUHJC-OAGGEKHMSA-N 1 2 326.404 0.706 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(F)cn2)[C@@H](n2ccnn2)C1 ZINC001069913100 790182229 /nfs/dbraw/zinc/18/22/29/790182229.db2.gz PZDSLIMWSXKEMN-CABCVRRESA-N 1 2 328.351 0.491 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(F)cn2)[C@@H](n2ccnn2)C1 ZINC001069913100 790182231 /nfs/dbraw/zinc/18/22/31/790182231.db2.gz PZDSLIMWSXKEMN-CABCVRRESA-N 1 2 328.351 0.491 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccn(C(F)F)n2)[C@@H](n2ccnn2)C1 ZINC001069937916 790211781 /nfs/dbraw/zinc/21/17/81/790211781.db2.gz VKXAAMNAYPLCCH-NEPJUHHUSA-N 1 2 335.318 0.158 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccn(C(F)F)n2)[C@@H](n2ccnn2)C1 ZINC001069937916 790211782 /nfs/dbraw/zinc/21/17/82/790211782.db2.gz VKXAAMNAYPLCCH-NEPJUHHUSA-N 1 2 335.318 0.158 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccnc(CCC)c2)[C@@H](n2ccnn2)C1 ZINC001069950318 790230321 /nfs/dbraw/zinc/23/03/21/790230321.db2.gz NWKNSVANKFTKDK-SJORKVTESA-N 1 2 338.415 0.914 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccnc(CCC)c2)[C@@H](n2ccnn2)C1 ZINC001069950318 790230323 /nfs/dbraw/zinc/23/03/23/790230323.db2.gz NWKNSVANKFTKDK-SJORKVTESA-N 1 2 338.415 0.914 20 30 ECEDLO C[C@H]1[C@H](Nc2ccnc(C#N)n2)CCN1C(=O)CCc1c[nH+]cn1C ZINC001068881754 791335674 /nfs/dbraw/zinc/33/56/74/791335674.db2.gz RKTXSXYKHHOENI-GXTWGEPZSA-N 1 2 339.403 0.538 20 30 ECEDLO CC(C)(C)C#CC(=O)N1CC2(C1)C[C@H](NC(=O)Cc1[nH]cc[nH+]1)CO2 ZINC001068983761 791549675 /nfs/dbraw/zinc/54/96/75/791549675.db2.gz MUEFYMGGEFTWSI-ZDUSSCGKSA-N 1 2 344.415 0.488 20 30 ECEDLO C[C@@H]1C[C@H]1C(=O)N1CC[C@H]([NH+]2CCN(c3nccnc3C#N)CC2)C1 ZINC001066702648 792031780 /nfs/dbraw/zinc/03/17/80/792031780.db2.gz NXSYBUGIYCQBGK-QLFBSQMISA-N 1 2 340.431 0.727 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCN(c2cncc(C#N)n2)CC1 ZINC001066755532 792108925 /nfs/dbraw/zinc/10/89/25/792108925.db2.gz LPSYUWOYPLYYNM-CYBMUJFWSA-N 1 2 339.403 0.800 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCN(c2nccnc2C#N)CC1 ZINC001066755704 792110739 /nfs/dbraw/zinc/11/07/39/792110739.db2.gz MJAJYGMCJUPWHV-CYBMUJFWSA-N 1 2 339.403 0.800 20 30 ECEDLO CN(CCCN(C)C(=O)CSCC#N)C(=O)CCc1[nH]cc[nH+]1 ZINC001066871342 792243183 /nfs/dbraw/zinc/24/31/83/792243183.db2.gz FQUGTAMZOZPQAR-UHFFFAOYSA-N 1 2 337.449 0.906 20 30 ECEDLO C[C@H]1CCN(c2ccnc(C#N)n2)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067966676 792520046 /nfs/dbraw/zinc/52/00/46/792520046.db2.gz FBLFKOCBOULCRD-NWDGAFQWSA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1Nc1cncc(C#N)n1 ZINC001067129527 792731428 /nfs/dbraw/zinc/73/14/28/792731428.db2.gz WWCFFQXCICDCGT-DOMZBBRYSA-N 1 2 339.403 0.973 20 30 ECEDLO Cc1cc(C#N)nc(N[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)n1 ZINC001067138772 792740889 /nfs/dbraw/zinc/74/08/89/792740889.db2.gz MBXVBRMLMYMXBN-GWCFXTLKSA-N 1 2 325.376 0.881 20 30 ECEDLO C[C@H](Nc1ncccc1C#N)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001068245856 792927288 /nfs/dbraw/zinc/92/72/88/792927288.db2.gz RASDPHDEZDMVDM-SWLSCSKDSA-N 1 2 340.387 0.947 20 30 ECEDLO C[C@H]1C[C@@H](CNc2ccc(C#N)nn2)CN1C(=O)Cc1c[nH+]cn1C ZINC001068336604 793072241 /nfs/dbraw/zinc/07/22/41/793072241.db2.gz BRNYPHLKEHVBMF-STQMWFEESA-N 1 2 339.403 0.973 20 30 ECEDLO C[C@@H]1CN(c2ccnc(C#N)n2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067405386 793108712 /nfs/dbraw/zinc/10/87/12/793108712.db2.gz HGZSHXIUVHGQAB-TZMCWYRMSA-N 1 2 339.403 0.655 20 30 ECEDLO C[C@@H]1CN(c2ccnc(C#N)n2)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067405385 793109098 /nfs/dbraw/zinc/10/90/98/793109098.db2.gz HGZSHXIUVHGQAB-OCCSQVGLSA-N 1 2 339.403 0.655 20 30 ECEDLO C#CCOCCC(=O)N(C)CCCN(C)C(=O)CCc1[nH+]ccn1C ZINC001067425601 793137821 /nfs/dbraw/zinc/13/78/21/793137821.db2.gz YBAADOZMEQSQDY-UHFFFAOYSA-N 1 2 348.447 0.700 20 30 ECEDLO C[C@H]1C[C@@H](CNc2nccnc2C#N)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001068375744 793150813 /nfs/dbraw/zinc/15/08/13/793150813.db2.gz MBJLYXFHAAKJNY-RYUDHWBXSA-N 1 2 325.376 0.963 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CCOC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001068401894 793226704 /nfs/dbraw/zinc/22/67/04/793226704.db2.gz GRECIFUFJSHSSE-UHFFFAOYSA-N 1 2 346.431 0.925 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CN(C(=O)Cn1cc[nH+]c1)CCO2 ZINC001068409876 793254107 /nfs/dbraw/zinc/25/41/07/793254107.db2.gz YPBVNKASJGZBKH-OAHLLOKOSA-N 1 2 346.431 0.925 20 30 ECEDLO CCCN(C(=O)C#CC1CC1)[C@H]1CC[N@H+](CC(=O)NC(=O)NCC)C1 ZINC001267458647 837444503 /nfs/dbraw/zinc/44/45/03/837444503.db2.gz CRMDMVLULPATDR-HNNXBMFYSA-N 1 2 348.447 0.558 20 30 ECEDLO CCCN(C(=O)C#CC1CC1)[C@H]1CC[N@@H+](CC(=O)NC(=O)NCC)C1 ZINC001267458647 837444507 /nfs/dbraw/zinc/44/45/07/837444507.db2.gz CRMDMVLULPATDR-HNNXBMFYSA-N 1 2 348.447 0.558 20 30 ECEDLO C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001267495812 837566136 /nfs/dbraw/zinc/56/61/36/837566136.db2.gz GTMSTTAZQQFEEQ-HUUCEWRRSA-N 1 2 326.462 0.900 20 30 ECEDLO C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001267495812 837566142 /nfs/dbraw/zinc/56/61/42/837566142.db2.gz GTMSTTAZQQFEEQ-HUUCEWRRSA-N 1 2 326.462 0.900 20 30 ECEDLO C=CCOCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCC1 ZINC001267528755 837698090 /nfs/dbraw/zinc/69/80/90/837698090.db2.gz OYIXVIXZJPJZBR-IYBDPMFKSA-N 1 2 335.448 0.877 20 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/nfs/dbraw/zinc/80/65/37/837806537.db2.gz FEKZICULFXSASO-UHFFFAOYSA-N 1 2 348.495 0.993 20 30 ECEDLO COCC#CC[NH+]1CCN(CCN(C)C(=O)c2cc(C)on2)CC1 ZINC001267574102 837819811 /nfs/dbraw/zinc/81/98/11/837819811.db2.gz VOOXDNQAWQIKDP-UHFFFAOYSA-N 1 2 334.420 0.322 20 30 ECEDLO COCC#CCN1CC[NH+](CCN(C)C(=O)c2cc(C)on2)CC1 ZINC001267574102 837819820 /nfs/dbraw/zinc/81/98/20/837819820.db2.gz VOOXDNQAWQIKDP-UHFFFAOYSA-N 1 2 334.420 0.322 20 30 ECEDLO CC(=O)NC1CCC(C(=O)N(C)CC[NH+]2CCN(CC#N)CC2)CC1 ZINC001267577865 837834092 /nfs/dbraw/zinc/83/40/92/837834092.db2.gz UENMPLHAHVBBJZ-UHFFFAOYSA-N 1 2 349.479 0.281 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C)cc2OC)C1 ZINC001266246596 835552505 /nfs/dbraw/zinc/55/25/05/835552505.db2.gz SQKCDZMDABBTFZ-OAHLLOKOSA-N 1 2 343.427 0.947 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)cc2OC)C1 ZINC001266246596 835552514 /nfs/dbraw/zinc/55/25/14/835552514.db2.gz SQKCDZMDABBTFZ-OAHLLOKOSA-N 1 2 343.427 0.947 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001266246439 835552827 /nfs/dbraw/zinc/55/28/27/835552827.db2.gz PRHPUWIJEQCJLG-HNNXBMFYSA-N 1 2 342.443 0.837 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001266246439 835552834 /nfs/dbraw/zinc/55/28/34/835552834.db2.gz PRHPUWIJEQCJLG-HNNXBMFYSA-N 1 2 342.443 0.837 20 30 ECEDLO C#CCCCC(=O)NCCCN1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC001266263139 835574466 /nfs/dbraw/zinc/57/44/66/835574466.db2.gz VWRMGDIBDFTJDP-INIZCTEOSA-N 1 2 336.480 0.391 20 30 ECEDLO C#CCCN1CC[NH+](CCCNC(=O)[C@@H]2CCCc3nn[nH]c32)CC1 ZINC001266272191 835594496 /nfs/dbraw/zinc/59/44/96/835594496.db2.gz YEGIEPFOYDFPJQ-OAHLLOKOSA-N 1 2 344.463 0.372 20 30 ECEDLO COCC#CCN1CC[NH+](CCNC(=O)C[C@H](C)SC)CC1 ZINC001266283019 835613562 /nfs/dbraw/zinc/61/35/62/835613562.db2.gz AZCPTWLLMPGPNY-HNNXBMFYSA-N 1 2 327.494 0.512 20 30 ECEDLO COCC#CC[NH+]1CCN(CCNC(=O)C[C@H](C)SC)CC1 ZINC001266283019 835613567 /nfs/dbraw/zinc/61/35/67/835613567.db2.gz AZCPTWLLMPGPNY-HNNXBMFYSA-N 1 2 327.494 0.512 20 30 ECEDLO CCc1occc1C(=O)NCCN1CC[NH+](CC#CCOC)CC1 ZINC001266283897 835615937 /nfs/dbraw/zinc/61/59/37/835615937.db2.gz YFBZTZIGHOZFLH-UHFFFAOYSA-N 1 2 333.432 0.839 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CO[C@@H](C)C1 ZINC001266291041 835635484 /nfs/dbraw/zinc/63/54/84/835635484.db2.gz SJWORWBQDRSPPV-GJZGRUSLSA-N 1 2 325.453 0.884 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CO[C@@H](C)C1 ZINC001266291041 835635488 /nfs/dbraw/zinc/63/54/88/835635488.db2.gz SJWORWBQDRSPPV-GJZGRUSLSA-N 1 2 325.453 0.884 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(CCNC(=O)[C@@H](C)C(C)C)CC1 ZINC001266294698 835640991 /nfs/dbraw/zinc/64/09/91/835640991.db2.gz HWFLSMLVQDSGHF-HOTGVXAUSA-N 1 2 338.496 0.703 20 30 ECEDLO COCC#CC[NH+]1CCN(CCNC(=O)C2(C)CC(F)(F)C2)CC1 ZINC001266296685 835644624 /nfs/dbraw/zinc/64/46/24/835644624.db2.gz DAHHNBVZZCZMGI-UHFFFAOYSA-N 1 2 343.418 0.805 20 30 ECEDLO COCC#CCN1CC[NH+](CCNC(=O)C2(C)CC(F)(F)C2)CC1 ZINC001266296685 835644628 /nfs/dbraw/zinc/64/46/28/835644628.db2.gz DAHHNBVZZCZMGI-UHFFFAOYSA-N 1 2 343.418 0.805 20 30 ECEDLO C#CCCOc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)cc1 ZINC001266320008 835690057 /nfs/dbraw/zinc/69/00/57/835690057.db2.gz XAPIRKLTGLYOPA-UKRRQHHQSA-N 1 2 329.400 0.767 20 30 ECEDLO C#CCCOc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(N)=O)C2)cc1 ZINC001266320008 835690059 /nfs/dbraw/zinc/69/00/59/835690059.db2.gz XAPIRKLTGLYOPA-UKRRQHHQSA-N 1 2 329.400 0.767 20 30 ECEDLO N#CCNC(=O)CN1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001266326092 835704158 /nfs/dbraw/zinc/70/41/58/835704158.db2.gz XOVKDUWGOCVWFC-LBPRGKRZSA-N 1 2 326.360 0.007 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nc(C)n3ccccc23)C1 ZINC001266331105 835712138 /nfs/dbraw/zinc/71/21/38/835712138.db2.gz MEANPEZDPTWLTE-AWEZNQCLSA-N 1 2 341.415 0.749 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nc(C)n3ccccc23)C1 ZINC001266331105 835712147 /nfs/dbraw/zinc/71/21/47/835712147.db2.gz MEANPEZDPTWLTE-AWEZNQCLSA-N 1 2 341.415 0.749 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C1(Cc2ccccc2F)CC1 ZINC001266335430 835718995 /nfs/dbraw/zinc/71/89/95/835718995.db2.gz VRCKYMKEUPFWGN-UHFFFAOYSA-N 1 2 345.418 0.946 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C1(Cc2ccccc2F)CC1 ZINC001266335430 835719003 /nfs/dbraw/zinc/71/90/03/835719003.db2.gz VRCKYMKEUPFWGN-UHFFFAOYSA-N 1 2 345.418 0.946 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCOc2ccc(F)cc2)C1 ZINC001266338767 835723576 /nfs/dbraw/zinc/72/35/76/835723576.db2.gz CEPOERKJTAZZOG-OAHLLOKOSA-N 1 2 347.390 0.535 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCOc2ccc(F)cc2)C1 ZINC001266338767 835723586 /nfs/dbraw/zinc/72/35/86/835723586.db2.gz CEPOERKJTAZZOG-OAHLLOKOSA-N 1 2 347.390 0.535 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001266341152 835727261 /nfs/dbraw/zinc/72/72/61/835727261.db2.gz AZZSBMFKIBHICG-UONOGXRCSA-N 1 2 348.447 0.934 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001266341152 835727267 /nfs/dbraw/zinc/72/72/67/835727267.db2.gz AZZSBMFKIBHICG-UONOGXRCSA-N 1 2 348.447 0.934 20 30 ECEDLO C[N@H+](CCNC(=O)C1(c2ccccc2F)CCC1)CC(=O)NCC#N ZINC001266347999 835741980 /nfs/dbraw/zinc/74/19/80/835741980.db2.gz WARCCDXSJKCPDS-UHFFFAOYSA-N 1 2 346.406 0.935 20 30 ECEDLO C[N@@H+](CCNC(=O)C1(c2ccccc2F)CCC1)CC(=O)NCC#N ZINC001266347999 835741985 /nfs/dbraw/zinc/74/19/85/835741985.db2.gz WARCCDXSJKCPDS-UHFFFAOYSA-N 1 2 346.406 0.935 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C)nc2OCC)C1 ZINC001266349808 835745519 /nfs/dbraw/zinc/74/55/19/835745519.db2.gz MSKRNZPGDCVLFW-CQSZACIVSA-N 1 2 346.431 0.895 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)nc2OCC)C1 ZINC001266349808 835745522 /nfs/dbraw/zinc/74/55/22/835745522.db2.gz MSKRNZPGDCVLFW-CQSZACIVSA-N 1 2 346.431 0.895 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cn(CCC)nn2)C1 ZINC001266350387 835747036 /nfs/dbraw/zinc/74/70/36/835747036.db2.gz SPKJTIRFYRLBMH-CHWSQXEVSA-N 1 2 334.424 0.183 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cn(CCC)nn2)C1 ZINC001266350387 835747041 /nfs/dbraw/zinc/74/70/41/835747041.db2.gz SPKJTIRFYRLBMH-CHWSQXEVSA-N 1 2 334.424 0.183 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)COc2ccc(C)cc2C)C1 ZINC001266358982 835767600 /nfs/dbraw/zinc/76/76/00/835767600.db2.gz KVFJGZPCIKYHKN-MRXNPFEDSA-N 1 2 343.427 0.622 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COc2ccc(C)cc2C)C1 ZINC001266358982 835767609 /nfs/dbraw/zinc/76/76/09/835767609.db2.gz KVFJGZPCIKYHKN-MRXNPFEDSA-N 1 2 343.427 0.622 20 30 ECEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)c2c1CCC2 ZINC001266361786 835772790 /nfs/dbraw/zinc/77/27/90/835772790.db2.gz RZHAYHOVZBGFQB-CQSZACIVSA-N 1 2 340.427 0.928 20 30 ECEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)c2c1CCC2 ZINC001266361786 835772800 /nfs/dbraw/zinc/77/28/00/835772800.db2.gz RZHAYHOVZBGFQB-CQSZACIVSA-N 1 2 340.427 0.928 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(OC)ccn1 ZINC001266474531 835877136 /nfs/dbraw/zinc/87/71/36/835877136.db2.gz QBWUHIGJCNERII-ZDUSSCGKSA-N 1 2 332.404 0.587 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(OC)ccn1 ZINC001266474531 835877143 /nfs/dbraw/zinc/87/71/43/835877143.db2.gz QBWUHIGJCNERII-ZDUSSCGKSA-N 1 2 332.404 0.587 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1c(C)nn(C)c1F ZINC001266492344 835892887 /nfs/dbraw/zinc/89/28/87/835892887.db2.gz NGVPCXKOMHVQDI-GFCCVEGCSA-N 1 2 337.399 0.364 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)nn(C)c1F ZINC001266492344 835892896 /nfs/dbraw/zinc/89/28/96/835892896.db2.gz NGVPCXKOMHVQDI-GFCCVEGCSA-N 1 2 337.399 0.364 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2nnnn2CCC)C1 ZINC001266513857 835924533 /nfs/dbraw/zinc/92/45/33/835924533.db2.gz IAOXCACGYWAUNY-UONOGXRCSA-N 1 2 334.424 0.060 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2nnnn2CCC)C1 ZINC001266513857 835924537 /nfs/dbraw/zinc/92/45/37/835924537.db2.gz IAOXCACGYWAUNY-UONOGXRCSA-N 1 2 334.424 0.060 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC001266538066 835957172 /nfs/dbraw/zinc/95/71/72/835957172.db2.gz XWFRWORXSRFABC-HIFRSBDPSA-N 1 2 335.408 0.479 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001266538066 835957177 /nfs/dbraw/zinc/95/71/77/835957177.db2.gz XWFRWORXSRFABC-HIFRSBDPSA-N 1 2 335.408 0.479 20 30 ECEDLO COCC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001266769807 836278792 /nfs/dbraw/zinc/27/87/92/836278792.db2.gz IRLJIZXOMFXFOW-CABCVRRESA-N 1 2 342.461 0.042 20 30 ECEDLO COCC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001266769807 836278798 /nfs/dbraw/zinc/27/87/98/836278798.db2.gz IRLJIZXOMFXFOW-CABCVRRESA-N 1 2 342.461 0.042 20 30 ECEDLO O=C(C#CC1CC1)NC[C@@H]1CCCC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC001266842953 836369431 /nfs/dbraw/zinc/36/94/31/836369431.db2.gz XWYLQHJEPGQDFC-HNNXBMFYSA-N 1 2 346.431 0.359 20 30 ECEDLO O=C(C#CC1CC1)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC001266842953 836369439 /nfs/dbraw/zinc/36/94/39/836369439.db2.gz XWYLQHJEPGQDFC-HNNXBMFYSA-N 1 2 346.431 0.359 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC001266855503 836389389 /nfs/dbraw/zinc/38/93/89/836389389.db2.gz DHSBUTGVIJMCMO-KFWWJZLASA-N 1 2 334.420 0.188 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC001266855503 836389401 /nfs/dbraw/zinc/38/94/01/836389401.db2.gz DHSBUTGVIJMCMO-KFWWJZLASA-N 1 2 334.420 0.188 20 30 ECEDLO C[N@H+](CCNC(=O)C#CC(C)(C)C)CC(=O)N1CCOC[C@H]1C1CC1 ZINC001267193721 836957419 /nfs/dbraw/zinc/95/74/19/836957419.db2.gz BIKDRCNNUQAMDO-INIZCTEOSA-N 1 2 349.475 0.721 20 30 ECEDLO C[N@@H+](CCNC(=O)C#CC(C)(C)C)CC(=O)N1CCOC[C@H]1C1CC1 ZINC001267193721 836957427 /nfs/dbraw/zinc/95/74/27/836957427.db2.gz BIKDRCNNUQAMDO-INIZCTEOSA-N 1 2 349.475 0.721 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1CC ZINC001267193840 836958045 /nfs/dbraw/zinc/95/80/45/836958045.db2.gz DXJYCOGJHWMPEC-CVEARBPZSA-N 1 2 337.464 0.864 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CC ZINC001267193840 836958057 /nfs/dbraw/zinc/95/80/57/836958057.db2.gz DXJYCOGJHWMPEC-CVEARBPZSA-N 1 2 337.464 0.864 20 30 ECEDLO C#Cc1ccccc1CC(=O)NCC[N@@H+](CC)Cc1nc(=O)n(C)[nH]1 ZINC001267255193 837076094 /nfs/dbraw/zinc/07/60/94/837076094.db2.gz TWYHBQRDMPGKBQ-UHFFFAOYSA-N 1 2 341.415 0.271 20 30 ECEDLO C#Cc1ccccc1CC(=O)NCC[N@H+](CC)Cc1nc(=O)n(C)[nH]1 ZINC001267255193 837076108 /nfs/dbraw/zinc/07/61/08/837076108.db2.gz TWYHBQRDMPGKBQ-UHFFFAOYSA-N 1 2 341.415 0.271 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1CC[N@H+](CC(=O)Nc2cnccn2)C1 ZINC001267291413 837143654 /nfs/dbraw/zinc/14/36/54/837143654.db2.gz FYTDMDQUEPOXJJ-GUYCJALGSA-N 1 2 347.419 0.180 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1CC[N@@H+](CC(=O)Nc2cnccn2)C1 ZINC001267291413 837143657 /nfs/dbraw/zinc/14/36/57/837143657.db2.gz FYTDMDQUEPOXJJ-GUYCJALGSA-N 1 2 347.419 0.180 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCCC1 ZINC001267400832 837341804 /nfs/dbraw/zinc/34/18/04/837341804.db2.gz FIHWVSDFHUBYRK-RVKKMQEKSA-N 1 2 335.448 0.611 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CCCC1 ZINC001267400832 837341818 /nfs/dbraw/zinc/34/18/18/837341818.db2.gz FIHWVSDFHUBYRK-RVKKMQEKSA-N 1 2 335.448 0.611 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(CCN(C)C(=O)c2ccco2)CC1 ZINC001267604802 837938512 /nfs/dbraw/zinc/93/85/12/837938512.db2.gz FRCZOMCDZBFRKP-OAHLLOKOSA-N 1 2 348.447 0.660 20 30 ECEDLO CC#CCN1CC[NH+](CCN(C)C(=O)[C@@H]2CCC(=O)N2C(C)C)CC1 ZINC001267608879 837964683 /nfs/dbraw/zinc/96/46/83/837964683.db2.gz FZQZBTUXMPQGQK-KRWDZBQOSA-N 1 2 348.491 0.485 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)c2n[nH]c(C)c2C)C1 ZINC001267623434 838065823 /nfs/dbraw/zinc/06/58/23/838065823.db2.gz ORJQCNNYTYROSK-KBPBESRZSA-N 1 2 333.436 0.911 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2n[nH]c(C)c2C)C1 ZINC001267623434 838065836 /nfs/dbraw/zinc/06/58/36/838065836.db2.gz ORJQCNNYTYROSK-KBPBESRZSA-N 1 2 333.436 0.911 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)c2cc(OC)n(C)n2)C1 ZINC001267629371 838085472 /nfs/dbraw/zinc/08/54/72/838085472.db2.gz VVFHTWOOFFZLAL-OLZOCXBDSA-N 1 2 349.435 0.314 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2cc(OC)n(C)n2)C1 ZINC001267629371 838085486 /nfs/dbraw/zinc/08/54/86/838085486.db2.gz VVFHTWOOFFZLAL-OLZOCXBDSA-N 1 2 349.435 0.314 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@](C)(C=C)CCOC)C1 ZINC001267628912 838085636 /nfs/dbraw/zinc/08/56/36/838085636.db2.gz NALYPFAENXIJIK-MAUKXSAKSA-N 1 2 335.448 0.545 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@](C)(C=C)CCOC)C1 ZINC001267628912 838085643 /nfs/dbraw/zinc/08/56/43/838085643.db2.gz NALYPFAENXIJIK-MAUKXSAKSA-N 1 2 335.448 0.545 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)c2ocnc2C2CC2)C1 ZINC001267632244 838092602 /nfs/dbraw/zinc/09/26/02/838092602.db2.gz STCHBEKNARVYBD-JSGCOSHPSA-N 1 2 344.415 0.884 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2ocnc2C2CC2)C1 ZINC001267632244 838092614 /nfs/dbraw/zinc/09/26/14/838092614.db2.gz STCHBEKNARVYBD-JSGCOSHPSA-N 1 2 344.415 0.884 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)Cc2csc(C)n2)C1 ZINC001267634212 838100348 /nfs/dbraw/zinc/10/03/48/838100348.db2.gz LFGLFYMOTUWPCV-ZDUSSCGKSA-N 1 2 336.461 0.877 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cc2csc(C)n2)C1 ZINC001267634212 838100353 /nfs/dbraw/zinc/10/03/53/838100353.db2.gz LFGLFYMOTUWPCV-ZDUSSCGKSA-N 1 2 336.461 0.877 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@H](C)SC)C1 ZINC001267673666 838219146 /nfs/dbraw/zinc/21/91/46/838219146.db2.gz FNRVTVFRTFZUHG-MNOVXSKESA-N 1 2 342.465 0.186 20 30 ECEDLO CC(C)C#CC(=O)NCC1C[NH+](CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001267680637 838239998 /nfs/dbraw/zinc/23/99/98/838239998.db2.gz SDFJPNDGJMRIIG-CQSZACIVSA-N 1 2 326.462 0.519 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC1C[NH+]([C@@H](C)C(=O)NCc2ccco2)C1 ZINC001267681439 838241602 /nfs/dbraw/zinc/24/16/02/838241602.db2.gz MZCYUVROXWGACZ-KBPBESRZSA-N 1 2 347.415 0.371 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2nc(Cl)cs2)C1 ZINC001267689723 838257494 /nfs/dbraw/zinc/25/74/94/838257494.db2.gz PHCKYPRSZMHUBQ-VIFPVBQESA-N 1 2 340.836 0.596 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2csc3cncn32)C1 ZINC001267694070 838276390 /nfs/dbraw/zinc/27/63/90/838276390.db2.gz ZRTJRGQSIAZLJP-UHFFFAOYSA-N 1 2 333.417 0.360 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2ccc3c(c2)C[C@H](C)O3)C1 ZINC001267694900 838279106 /nfs/dbraw/zinc/27/91/06/838279106.db2.gz UBINZYPNFGOJQF-ZDUSSCGKSA-N 1 2 343.427 0.974 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cccc3ncn(C)c32)C1 ZINC001267725670 838395939 /nfs/dbraw/zinc/39/59/39/838395939.db2.gz WWCIDRFDSDNIDH-ZDUSSCGKSA-N 1 2 339.399 0.127 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccc3ncn(C)c32)C1 ZINC001267725670 838395948 /nfs/dbraw/zinc/39/59/48/838395948.db2.gz WWCIDRFDSDNIDH-ZDUSSCGKSA-N 1 2 339.399 0.127 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccccc2)C1 ZINC001267726325 838402358 /nfs/dbraw/zinc/40/23/58/838402358.db2.gz BHHAANUKAUNPIU-AWEZNQCLSA-N 1 2 330.388 0.118 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccccc2)C1 ZINC001267726325 838402363 /nfs/dbraw/zinc/40/23/63/838402363.db2.gz BHHAANUKAUNPIU-AWEZNQCLSA-N 1 2 330.388 0.118 20 30 ECEDLO CNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001267734574 838427804 /nfs/dbraw/zinc/42/78/04/838427804.db2.gz OXRPDXCGCGMQFD-HNNXBMFYSA-N 1 2 342.399 0.074 20 30 ECEDLO CNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001267734574 838427809 /nfs/dbraw/zinc/42/78/09/838427809.db2.gz OXRPDXCGCGMQFD-HNNXBMFYSA-N 1 2 342.399 0.074 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C2(C3CC3)CC2)C1 ZINC001267744184 838446268 /nfs/dbraw/zinc/44/62/68/838446268.db2.gz IARIZHKELRGOPM-TZMCWYRMSA-N 1 2 348.447 0.767 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C2(C3CC3)CC2)C1 ZINC001267744184 838446270 /nfs/dbraw/zinc/44/62/70/838446270.db2.gz IARIZHKELRGOPM-TZMCWYRMSA-N 1 2 348.447 0.767 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N[C@@H](C)C3CC3)C2)c1 ZINC001267749513 838465775 /nfs/dbraw/zinc/46/57/75/838465775.db2.gz RBGZFGWYGFHVPP-SUMWQHHRSA-N 1 2 340.427 0.782 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N[C@@H](C)C3CC3)C2)c1 ZINC001267749513 838465780 /nfs/dbraw/zinc/46/57/80/838465780.db2.gz RBGZFGWYGFHVPP-SUMWQHHRSA-N 1 2 340.427 0.782 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C(C)(C)C)on2)C1 ZINC001267767779 838505918 /nfs/dbraw/zinc/50/59/18/838505918.db2.gz KYMSXEYUSJRKBG-CYBMUJFWSA-N 1 2 346.431 0.868 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C(C)(C)C)on2)C1 ZINC001267767779 838505926 /nfs/dbraw/zinc/50/59/26/838505926.db2.gz KYMSXEYUSJRKBG-CYBMUJFWSA-N 1 2 346.431 0.868 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(COC)c2)C1 ZINC001267768614 838509372 /nfs/dbraw/zinc/50/93/72/838509372.db2.gz QEUXHCYTOJPOLC-QGZVFWFLSA-N 1 2 343.427 0.729 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(COC)c2)C1 ZINC001267768614 838509378 /nfs/dbraw/zinc/50/93/78/838509378.db2.gz QEUXHCYTOJPOLC-QGZVFWFLSA-N 1 2 343.427 0.729 20 30 ECEDLO Cc1nc(CCC(=O)N(C)[C@H]2CC[N@H+](CC(=O)NCC#N)C2)cs1 ZINC001267773094 838530774 /nfs/dbraw/zinc/53/07/74/838530774.db2.gz JLOCIFNDOZDDQL-AWEZNQCLSA-N 1 2 349.460 0.557 20 30 ECEDLO Cc1nc(CCC(=O)N(C)[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)cs1 ZINC001267773094 838530778 /nfs/dbraw/zinc/53/07/78/838530778.db2.gz JLOCIFNDOZDDQL-AWEZNQCLSA-N 1 2 349.460 0.557 20 30 ECEDLO COc1ccccc1C(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267776526 838539041 /nfs/dbraw/zinc/53/90/41/838539041.db2.gz KMADGLDAXQFLIV-CYBMUJFWSA-N 1 2 330.388 0.481 20 30 ECEDLO COc1ccccc1C(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267776526 838539042 /nfs/dbraw/zinc/53/90/42/838539042.db2.gz KMADGLDAXQFLIV-CYBMUJFWSA-N 1 2 330.388 0.481 20 30 ECEDLO CCN(C(=O)C1CCC(O)CC1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267784851 838560694 /nfs/dbraw/zinc/56/06/94/838560694.db2.gz RLEWBOLHUOFTRJ-SLTAFYQDSA-N 1 2 336.436 0.100 20 30 ECEDLO CCN(C(=O)C1CCC(O)CC1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267784851 838560700 /nfs/dbraw/zinc/56/07/00/838560700.db2.gz RLEWBOLHUOFTRJ-SLTAFYQDSA-N 1 2 336.436 0.100 20 30 ECEDLO CCN(C(=O)C[C@H]1CCCCO1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267785738 838561443 /nfs/dbraw/zinc/56/14/43/838561443.db2.gz QGMWLNBIPDEFQD-HUUCEWRRSA-N 1 2 336.436 0.508 20 30 ECEDLO CCN(C(=O)C[C@H]1CCCCO1)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267785738 838561449 /nfs/dbraw/zinc/56/14/49/838561449.db2.gz QGMWLNBIPDEFQD-HUUCEWRRSA-N 1 2 336.436 0.508 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(OC)o2)C1 ZINC001267790354 838567618 /nfs/dbraw/zinc/56/76/18/838567618.db2.gz MHGJNYURWDRQDV-ZDUSSCGKSA-N 1 2 333.388 0.574 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(OC)o2)C1 ZINC001267790354 838567621 /nfs/dbraw/zinc/56/76/21/838567621.db2.gz MHGJNYURWDRQDV-ZDUSSCGKSA-N 1 2 333.388 0.574 20 30 ECEDLO CCN(C(=O)c1ncccc1OC)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267791216 838571898 /nfs/dbraw/zinc/57/18/98/838571898.db2.gz WIWOMFCVKSEHKE-ZDUSSCGKSA-N 1 2 345.403 0.266 20 30 ECEDLO CCN(C(=O)c1ncccc1OC)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267791216 838571906 /nfs/dbraw/zinc/57/19/06/838571906.db2.gz WIWOMFCVKSEHKE-ZDUSSCGKSA-N 1 2 345.403 0.266 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001267793397 838574965 /nfs/dbraw/zinc/57/49/65/838574965.db2.gz HSHAHGLECMOSCP-VXGBXAGGSA-N 1 2 327.812 0.715 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001267793397 838574968 /nfs/dbraw/zinc/57/49/68/838574968.db2.gz HSHAHGLECMOSCP-VXGBXAGGSA-N 1 2 327.812 0.715 20 30 ECEDLO CCO[C@H](CC)C(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105178879 838726653 /nfs/dbraw/zinc/72/66/53/838726653.db2.gz WKHYOZRWEORQHX-MRXNPFEDSA-N 1 2 349.435 0.216 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](C)n3cccn3)C2)nn1 ZINC001098619187 838727603 /nfs/dbraw/zinc/72/76/03/838727603.db2.gz VQELCEZPJCEECA-HIFRSBDPSA-N 1 2 327.392 0.232 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc[nH]2)C1 ZINC001267901844 838741720 /nfs/dbraw/zinc/74/17/20/838741720.db2.gz NGUHKSGQHCMAAA-GFCCVEGCSA-N 1 2 333.392 0.221 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ccc[nH]2)C1 ZINC001267901844 838741727 /nfs/dbraw/zinc/74/17/27/838741727.db2.gz NGUHKSGQHCMAAA-GFCCVEGCSA-N 1 2 333.392 0.221 20 30 ECEDLO C=CCCO[C@H](C)C(=O)NC[C@H]1CN(Cc2c[nH+]cn2C)CCO1 ZINC001268017443 838982969 /nfs/dbraw/zinc/98/29/69/838982969.db2.gz DDWBAPBQTBHUIY-ZBFHGGJFSA-N 1 2 336.436 0.718 20 30 ECEDLO C=C1CC(C)(C(=O)NC[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)CCO2)C1 ZINC001268025536 839022274 /nfs/dbraw/zinc/02/22/74/839022274.db2.gz ITFFFVUNTIJPBY-HUUCEWRRSA-N 1 2 345.447 0.939 20 30 ECEDLO C=C1CC(C)(C(=O)NC[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)CCO2)C1 ZINC001268025536 839022287 /nfs/dbraw/zinc/02/22/87/839022287.db2.gz ITFFFVUNTIJPBY-HUUCEWRRSA-N 1 2 345.447 0.939 20 30 ECEDLO C=CCC[C@@H](C)[N@H+]1CCO[C@@H](CNC(=O)CS(=O)(=O)C(C)C)C1 ZINC001268028845 839044044 /nfs/dbraw/zinc/04/40/44/839044044.db2.gz OQJWJMBGECYVPR-CABCVRRESA-N 1 2 346.493 0.981 20 30 ECEDLO C=CCC[C@@H](C)[N@@H+]1CCO[C@@H](CNC(=O)CS(=O)(=O)C(C)C)C1 ZINC001268028845 839044060 /nfs/dbraw/zinc/04/40/60/839044060.db2.gz OQJWJMBGECYVPR-CABCVRRESA-N 1 2 346.493 0.981 20 30 ECEDLO C[C@@H](NC(=O)N1C[C@@H](C)O[C@@]2(CCOC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000330002123 295691868 /nfs/dbraw/zinc/69/18/68/295691868.db2.gz YPBVIFFGGVCRKF-AIANPOQGSA-N 1 2 341.452 0.889 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)CNc2cccc(C#N)c2)CC1 ZINC000426861738 210167602 /nfs/dbraw/zinc/16/76/02/210167602.db2.gz MIQLHMNCOUQFRQ-UHFFFAOYSA-N 1 2 329.404 0.378 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)C(=O)NCC(=O)OC)c1 ZINC000298796156 202349137 /nfs/dbraw/zinc/34/91/37/202349137.db2.gz LPMCFRJCSNAKLY-LBPRGKRZSA-N 1 2 331.372 0.216 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H](C)C(=O)NCC(=O)OC)c1 ZINC000298796156 202349141 /nfs/dbraw/zinc/34/91/41/202349141.db2.gz LPMCFRJCSNAKLY-LBPRGKRZSA-N 1 2 331.372 0.216 20 30 ECEDLO CC(=O)N1CC[NH+](CCNC(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000268563580 201227654 /nfs/dbraw/zinc/22/76/54/201227654.db2.gz SZGXSWIXUVWAQP-UHFFFAOYSA-N 1 2 343.383 0.047 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)NCCCNc1cccc[nH+]1 ZINC000272804338 201258146 /nfs/dbraw/zinc/25/81/46/201258146.db2.gz FOKRPPJAWBOBBP-UHFFFAOYSA-N 1 2 326.422 0.784 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000272833699 201258458 /nfs/dbraw/zinc/25/84/58/201258458.db2.gz LOGWHYWPDJDLFA-UHFFFAOYSA-N 1 2 349.416 0.667 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000277805880 201307625 /nfs/dbraw/zinc/30/76/25/201307625.db2.gz PQRGJHFMCQKFON-NWDGAFQWSA-N 1 2 331.438 0.286 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000277805880 201307627 /nfs/dbraw/zinc/30/76/27/201307627.db2.gz PQRGJHFMCQKFON-NWDGAFQWSA-N 1 2 331.438 0.286 20 30 ECEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000193249819 240078949 /nfs/dbraw/zinc/07/89/49/240078949.db2.gz WFRDEERVQXXXJM-UHFFFAOYSA-N 1 2 347.419 0.190 20 30 ECEDLO C[C@@H]1CN(C(=O)C[NH+]2CCN(c3ncccc3C#N)CC2)C[C@H](C)O1 ZINC000253604511 244037349 /nfs/dbraw/zinc/03/73/49/244037349.db2.gz XMCNOAMBZAHNAS-GASCZTMLSA-N 1 2 343.431 0.711 20 30 ECEDLO CS(=O)(=O)NCC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000107298747 204231547 /nfs/dbraw/zinc/23/15/47/204231547.db2.gz ABHKJOQWSKJZJR-UHFFFAOYSA-N 1 2 326.397 0.369 20 30 ECEDLO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000155787953 206035205 /nfs/dbraw/zinc/03/52/05/206035205.db2.gz YYPQMFFOILRMAN-MRXNPFEDSA-N 1 2 342.399 0.820 20 30 ECEDLO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000264288880 246299630 /nfs/dbraw/zinc/29/96/30/246299630.db2.gz GESOKODHQKGJPZ-HNNXBMFYSA-N 1 2 344.419 0.115 20 30 ECEDLO C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000264288880 246299634 /nfs/dbraw/zinc/29/96/34/246299634.db2.gz GESOKODHQKGJPZ-HNNXBMFYSA-N 1 2 344.419 0.115 20 30 ECEDLO C[C@H]1C[NH+](CCCNS(=O)(=O)c2ccc(C#N)nc2)C[C@H](C)O1 ZINC000170658070 206598769 /nfs/dbraw/zinc/59/87/69/206598769.db2.gz AJMNLKVEFRIRRX-STQMWFEESA-N 1 2 338.433 0.731 20 30 ECEDLO Cn1c(C#N)ccc1C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000451283261 211375166 /nfs/dbraw/zinc/37/51/66/211375166.db2.gz FKIISHVOZZNAOF-UHFFFAOYSA-N 1 2 337.383 0.992 20 30 ECEDLO Cn1c(C#N)ccc1C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000451283261 211375169 /nfs/dbraw/zinc/37/51/69/211375169.db2.gz FKIISHVOZZNAOF-UHFFFAOYSA-N 1 2 337.383 0.992 20 30 ECEDLO COC(=O)Cn1cc(C[N@H+](C)CCOCc2ccc(C#N)cc2)nn1 ZINC000449331455 211280469 /nfs/dbraw/zinc/28/04/69/211280469.db2.gz YUJCIZXUZKOEAY-UHFFFAOYSA-N 1 2 343.387 0.971 20 30 ECEDLO COC(=O)Cn1cc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)nn1 ZINC000449331455 211280473 /nfs/dbraw/zinc/28/04/73/211280473.db2.gz YUJCIZXUZKOEAY-UHFFFAOYSA-N 1 2 343.387 0.971 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000336923735 285002483 /nfs/dbraw/zinc/00/24/83/285002483.db2.gz UZIIFWANKYIOOG-LSDHHAIUSA-N 1 2 346.497 0.659 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000337154653 285043287 /nfs/dbraw/zinc/04/32/87/285043287.db2.gz NAVOCRGRWIAFAT-CQSZACIVSA-N 1 2 346.497 0.755 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000337154653 285043288 /nfs/dbraw/zinc/04/32/88/285043288.db2.gz NAVOCRGRWIAFAT-CQSZACIVSA-N 1 2 346.497 0.755 20 30 ECEDLO COc1ccc(C(N)=[NH+]OCC(=O)NCC(=O)OC(C)(C)C)cc1 ZINC000272970576 254536988 /nfs/dbraw/zinc/53/69/88/254536988.db2.gz RIFWVDFHBZDFOP-UHFFFAOYSA-N 1 2 337.376 0.790 20 30 ECEDLO CC(C)N1C[C@H](NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1=O ZINC000331203824 254650084 /nfs/dbraw/zinc/65/00/84/254650084.db2.gz WUQGPFMHKXBLFV-BFHYXJOUSA-N 1 2 326.441 0.609 20 30 ECEDLO C[C@H](NC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1)c1cnn(C)c1 ZINC000331255321 254651529 /nfs/dbraw/zinc/65/15/29/254651529.db2.gz YJDPRLXRUNAWEY-WCQYABFASA-N 1 2 338.412 0.563 20 30 ECEDLO C[C@H](NC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1)c1cnn(C)c1 ZINC000331255321 254651531 /nfs/dbraw/zinc/65/15/31/254651531.db2.gz YJDPRLXRUNAWEY-WCQYABFASA-N 1 2 338.412 0.563 20 30 ECEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000340228181 254676447 /nfs/dbraw/zinc/67/64/47/254676447.db2.gz JDWJJGNXNCNGSE-UKRRQHHQSA-N 1 2 346.431 0.861 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000425909183 254785205 /nfs/dbraw/zinc/78/52/05/254785205.db2.gz MTIQVFGMRHJZMJ-IHRRRGAJSA-N 1 2 332.404 0.823 20 30 ECEDLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1 ZINC000451275672 254804811 /nfs/dbraw/zinc/80/48/11/254804811.db2.gz RUCVXDZZBJSKNG-ZDUSSCGKSA-N 1 2 343.449 0.579 20 30 ECEDLO C[N@@H+]1CCN(S(=O)(=O)CCC#N)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496976527 255147138 /nfs/dbraw/zinc/14/71/38/255147138.db2.gz WMFAYZZBSJFOTD-LBPRGKRZSA-N 1 2 346.453 0.371 20 30 ECEDLO C[N@H+]1CCN(S(=O)(=O)CCC#N)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496976527 255147140 /nfs/dbraw/zinc/14/71/40/255147140.db2.gz WMFAYZZBSJFOTD-LBPRGKRZSA-N 1 2 346.453 0.371 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000284004533 264179759 /nfs/dbraw/zinc/17/97/59/264179759.db2.gz NKBGRSCVUIMNTG-AWEZNQCLSA-N 1 2 344.415 0.354 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(S(=O)(=O)Cc3ccc(C#N)cc3)C[C@@H]21 ZINC000289272549 264558099 /nfs/dbraw/zinc/55/80/99/264558099.db2.gz WGJKLONXNBANAA-JKSUJKDBSA-N 1 2 335.429 0.793 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(S(=O)(=O)Cc3ccc(C#N)cc3)C[C@@H]21 ZINC000289272549 264558100 /nfs/dbraw/zinc/55/81/00/264558100.db2.gz WGJKLONXNBANAA-JKSUJKDBSA-N 1 2 335.429 0.793 20 30 ECEDLO N#Cc1cccnc1N1CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC000328600915 270005727 /nfs/dbraw/zinc/00/57/27/270005727.db2.gz DNIGXIQMGQDZSU-UHFFFAOYSA-N 1 2 335.433 0.111 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)c2ccnc(C#N)c2)C1=O ZINC000517210304 270007861 /nfs/dbraw/zinc/00/78/61/270007861.db2.gz MYJYCQATFFUWFF-AWEZNQCLSA-N 1 2 338.371 0.608 20 30 ECEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1sccc1C#N ZINC000293691806 267079086 /nfs/dbraw/zinc/07/90/86/267079086.db2.gz LFBXSCYHLSTUTC-DGCLKSJQSA-N 1 2 348.428 0.880 20 30 ECEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000287746645 267088786 /nfs/dbraw/zinc/08/87/86/267088786.db2.gz AOMZIBFRTAJPSA-CJNGLKHVSA-N 1 2 342.399 0.818 20 30 ECEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000340728741 267140760 /nfs/dbraw/zinc/14/07/60/267140760.db2.gz NLOFUGOIWLAJLS-LLVKDONJSA-N 1 2 341.371 0.559 20 30 ECEDLO C[C@H](O)CNc1cc(N2CCN(c3ccc(C#N)cn3)CC2)nc[nH+]1 ZINC000294164666 267191590 /nfs/dbraw/zinc/19/15/90/267191590.db2.gz BZUVHUJVFBPAPT-ZDUSSCGKSA-N 1 2 339.403 0.863 20 30 ECEDLO C[C@H](O)CNc1cc(N2CCN(c3ccc(C#N)cn3)CC2)[nH+]cn1 ZINC000294164666 267191592 /nfs/dbraw/zinc/19/15/92/267191592.db2.gz BZUVHUJVFBPAPT-ZDUSSCGKSA-N 1 2 339.403 0.863 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)c2cncc(C#N)c2)CC[N@@H+]1CC(C)(C)O ZINC000289479725 267237438 /nfs/dbraw/zinc/23/74/38/267237438.db2.gz NXVIBAVIYGARNW-LBPRGKRZSA-N 1 2 338.433 0.419 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)c2cncc(C#N)c2)CC[N@H+]1CC(C)(C)O ZINC000289479725 267237441 /nfs/dbraw/zinc/23/74/41/267237441.db2.gz NXVIBAVIYGARNW-LBPRGKRZSA-N 1 2 338.433 0.419 20 30 ECEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000332481406 267303245 /nfs/dbraw/zinc/30/32/45/267303245.db2.gz VMGWBCOKIYHSDD-JKSUJKDBSA-N 1 2 342.399 0.737 20 30 ECEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000332481406 267303248 /nfs/dbraw/zinc/30/32/48/267303248.db2.gz VMGWBCOKIYHSDD-JKSUJKDBSA-N 1 2 342.399 0.737 20 30 ECEDLO N#Cc1ccc(Cl)c(S(=O)(=O)NCC[NH+]2CCC(O)CC2)c1 ZINC000295257797 268099079 /nfs/dbraw/zinc/09/90/79/268099079.db2.gz GOKSCJZLFYRVRB-UHFFFAOYSA-N 1 2 343.836 0.947 20 30 ECEDLO N#CCC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528522834 268156757 /nfs/dbraw/zinc/15/67/57/268156757.db2.gz SZQJSKKRENQTNR-HNNXBMFYSA-N 1 2 328.372 0.356 20 30 ECEDLO N#Cc1ccc(OCC(=O)N2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000353509675 268169135 /nfs/dbraw/zinc/16/91/35/268169135.db2.gz LAGLNTOPWDUBGV-UHFFFAOYSA-N 1 2 340.387 0.373 20 30 ECEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(C[C@@H]2CCCNC2=O)c1=O ZINC000516492720 268180066 /nfs/dbraw/zinc/18/00/66/268180066.db2.gz SXYPPOLTZMUMOA-AWEZNQCLSA-N 1 2 330.388 0.078 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CCN2CC[NH+](CC3CC3)CC2)nc1 ZINC000290429882 268187404 /nfs/dbraw/zinc/18/74/04/268187404.db2.gz UZDFZPZWKYIESV-UHFFFAOYSA-N 1 2 334.445 0.755 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CCCO)CC2)cc1F ZINC000292475711 268193458 /nfs/dbraw/zinc/19/34/58/268193458.db2.gz FCVLZTAAPSRTTA-UHFFFAOYSA-N 1 2 327.381 0.386 20 30 ECEDLO N#Cc1ccc([C@@H](O)CN2CC[NH+]([C@@H]3CCCCNC3=O)CC2)cc1 ZINC000372006538 268211964 /nfs/dbraw/zinc/21/19/64/268211964.db2.gz LLOMEABXZCIPPT-MSOLQXFVSA-N 1 2 342.443 0.878 20 30 ECEDLO N#Cc1ccc([C@@H](O)C[NH+]2CCN([C@@H]3CCCCNC3=O)CC2)cc1 ZINC000372006538 268211965 /nfs/dbraw/zinc/21/19/65/268211965.db2.gz LLOMEABXZCIPPT-MSOLQXFVSA-N 1 2 342.443 0.878 20 30 ECEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c1 ZINC000355096338 268250927 /nfs/dbraw/zinc/25/09/27/268250927.db2.gz JULROCFEDWCDQG-MRXNPFEDSA-N 1 2 341.415 0.710 20 30 ECEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c1 ZINC000355096338 268250932 /nfs/dbraw/zinc/25/09/32/268250932.db2.gz JULROCFEDWCDQG-MRXNPFEDSA-N 1 2 341.415 0.710 20 30 ECEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000363248895 268284752 /nfs/dbraw/zinc/28/47/52/268284752.db2.gz ORDWQFDOGWGUSN-GJZGRUSLSA-N 1 2 335.429 0.778 20 30 ECEDLO N#Cc1ccnc(N2CC[NH+](CC(=O)N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000268478118 268293512 /nfs/dbraw/zinc/29/35/12/268293512.db2.gz KXJKRWOEIGZOSN-UHFFFAOYSA-N 1 2 344.375 0.606 20 30 ECEDLO N#Cc1ncccc1S(=O)(=O)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000365429833 268329437 /nfs/dbraw/zinc/32/94/37/268329437.db2.gz UFTKIXAAGIIXIX-GFCCVEGCSA-N 1 2 338.458 0.765 20 30 ECEDLO COC(=O)c1cc(CNC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)oc1C ZINC000330712554 437597788 /nfs/dbraw/zinc/59/77/88/437597788.db2.gz AXFWQWMYUIQQTL-LBPRGKRZSA-N 1 2 338.408 0.624 20 30 ECEDLO COC(=O)c1cc(CNC(=O)NC[C@H]2CN(C)CC[N@H+]2C)oc1C ZINC000330712554 437597792 /nfs/dbraw/zinc/59/77/92/437597792.db2.gz AXFWQWMYUIQQTL-LBPRGKRZSA-N 1 2 338.408 0.624 20 30 ECEDLO C[C@H]([C@H](C)NC(=O)C(=O)Nc1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000105740294 290201910 /nfs/dbraw/zinc/20/19/10/290201910.db2.gz WPHDZMXCUOWMIO-QWHCGFSZSA-N 1 2 330.388 0.722 20 30 ECEDLO N#CCSCC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000340276427 437615553 /nfs/dbraw/zinc/61/55/53/437615553.db2.gz FGPAHOUAOUJBAA-UHFFFAOYSA-N 1 2 347.444 0.493 20 30 ECEDLO C[C@H]1CS(=O)(=O)CCN1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000330812642 437620994 /nfs/dbraw/zinc/62/09/94/437620994.db2.gz KTHBPQZFIXUHPS-NSHDSACASA-N 1 2 326.422 0.681 20 30 ECEDLO C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000069865467 435971856 /nfs/dbraw/zinc/97/18/56/435971856.db2.gz ORTKZMJJQNPYCZ-OCCSQVGLSA-N 1 2 326.418 0.663 20 30 ECEDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000069865467 435971863 /nfs/dbraw/zinc/97/18/63/435971863.db2.gz ORTKZMJJQNPYCZ-OCCSQVGLSA-N 1 2 326.418 0.663 20 30 ECEDLO Cn1cc[nH+]c1CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000070979500 435997508 /nfs/dbraw/zinc/99/75/08/435997508.db2.gz IGMSLNNAZVCSQX-UHFFFAOYSA-N 1 2 345.428 0.798 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN([C@@H](C(=O)OC)c2ccccc2F)CC1 ZINC000072558420 436047892 /nfs/dbraw/zinc/04/78/92/436047892.db2.gz OLLJUMLAYWUEKJ-QGZVFWFLSA-N 1 2 349.406 0.960 20 30 ECEDLO C[C@@](C#N)(NC(=O)CN1CC[NH+](CC(=O)N2CCCC2)CC1)C1CC1 ZINC000022844314 436121591 /nfs/dbraw/zinc/12/15/91/436121591.db2.gz FKIFRCQOYIRRKE-SFHVURJKSA-N 1 2 347.463 0.035 20 30 ECEDLO Cc1cc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)ccc1C#N ZINC000416671000 301395244 /nfs/dbraw/zinc/39/52/44/301395244.db2.gz UYWVGERJTCCWLA-UONOGXRCSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)ccc1C#N ZINC000416671000 301395248 /nfs/dbraw/zinc/39/52/48/301395248.db2.gz UYWVGERJTCCWLA-UONOGXRCSA-N 1 2 337.445 0.942 20 30 ECEDLO CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000078256164 436262991 /nfs/dbraw/zinc/26/29/91/436262991.db2.gz IWTKUJAQUIHGSK-ZDUSSCGKSA-N 1 2 344.419 0.698 20 30 ECEDLO Cc1csc(NC(=O)CN(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000078720553 436275709 /nfs/dbraw/zinc/27/57/09/436275709.db2.gz APKRLWDLKLHKPA-UHFFFAOYSA-N 1 2 337.449 0.938 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)/C=C/c1cccc(C#N)c1 ZINC000082985657 436365553 /nfs/dbraw/zinc/36/55/53/436365553.db2.gz LYMHYIOGKYTYTE-RTRPANQVSA-N 1 2 329.400 0.723 20 30 ECEDLO CN(CCC#N)S(=O)(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000045798625 436377358 /nfs/dbraw/zinc/37/73/58/436377358.db2.gz CONAFYWGAMDRSP-UHFFFAOYSA-N 1 2 328.463 0.956 20 30 ECEDLO CCOCCNC(=O)C[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000084680955 436381439 /nfs/dbraw/zinc/38/14/39/436381439.db2.gz KUEPMZXAPAVGIQ-UHFFFAOYSA-N 1 2 331.420 0.618 20 30 ECEDLO CCOCCNC(=O)C[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000084680955 436381445 /nfs/dbraw/zinc/38/14/45/436381445.db2.gz KUEPMZXAPAVGIQ-UHFFFAOYSA-N 1 2 331.420 0.618 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CSCC(N)=O)CC2)cc1 ZINC000046018756 436382359 /nfs/dbraw/zinc/38/23/59/436382359.db2.gz UFSTXQNDVSJTAK-UHFFFAOYSA-N 1 2 332.429 0.421 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(S(C)(=O)=O)ccc2C)CC1 ZINC000085269935 436388556 /nfs/dbraw/zinc/38/85/56/436388556.db2.gz XLDXYHUTFCUALU-UHFFFAOYSA-N 1 2 349.456 0.588 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2cncc(OCC(C)C)n2)CC1 ZINC000086178884 436392294 /nfs/dbraw/zinc/39/22/94/436392294.db2.gz DCHKYCKNTVDWEF-UHFFFAOYSA-N 1 2 333.436 0.936 20 30 ECEDLO CC(=O)N1CC[NH+](CCNC(=O)COc2ccccc2C#N)CC1 ZINC000046823816 436401060 /nfs/dbraw/zinc/40/10/60/436401060.db2.gz OJDYXWQFTAMSFV-UHFFFAOYSA-N 1 2 330.388 0.217 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)Cc2[nH+]ccn2C)CC1 ZINC000089267690 436407363 /nfs/dbraw/zinc/40/73/63/436407363.db2.gz AWPVIYKEKMYOPH-HNNXBMFYSA-N 1 2 332.452 0.544 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)N1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000081758995 436356358 /nfs/dbraw/zinc/35/63/58/436356358.db2.gz HKEUWHMNBCHNGG-OAHLLOKOSA-N 1 2 329.448 0.996 20 30 ECEDLO CCC[N@H+](CC(=O)NC)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000092617809 436473364 /nfs/dbraw/zinc/47/33/64/436473364.db2.gz UNULDSKUEAJHKG-OAHLLOKOSA-N 1 2 337.468 0.137 20 30 ECEDLO CCC[N@@H+](CC(=O)NC)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000092617809 436473367 /nfs/dbraw/zinc/47/33/67/436473367.db2.gz UNULDSKUEAJHKG-OAHLLOKOSA-N 1 2 337.468 0.137 20 30 ECEDLO COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000050166947 436473637 /nfs/dbraw/zinc/47/36/37/436473637.db2.gz WKPKJMONCDCZCA-LLVKDONJSA-N 1 2 327.344 0.907 20 30 ECEDLO N#Cc1cccc(OCC[NH+]2CCN(CC(=O)NC3CC3)CC2)c1 ZINC000051255257 436487613 /nfs/dbraw/zinc/48/76/13/436487613.db2.gz UTIJSSCJEIHNKX-UHFFFAOYSA-N 1 2 328.416 0.833 20 30 ECEDLO COC(=O)N1CCC(=NNC(=S)NCC[NH+]2CCOCC2)CC1 ZINC000054865790 436559459 /nfs/dbraw/zinc/55/94/59/436559459.db2.gz AZBZOWJCMBVKIC-UHFFFAOYSA-N 1 2 343.453 0.001 20 30 ECEDLO C=CCN(CC=C)C(=O)CN1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000054994565 436564101 /nfs/dbraw/zinc/56/41/01/436564101.db2.gz TZURHSCWEHDCJF-HNNXBMFYSA-N 1 2 334.464 0.472 20 30 ECEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000054994565 436564106 /nfs/dbraw/zinc/56/41/06/436564106.db2.gz TZURHSCWEHDCJF-HNNXBMFYSA-N 1 2 334.464 0.472 20 30 ECEDLO N#CCNC(=O)C[N@@H+](CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000109791345 436625600 /nfs/dbraw/zinc/62/56/00/436625600.db2.gz KGXIMBDWNGFMMY-UHFFFAOYSA-N 1 2 327.388 0.365 20 30 ECEDLO N#CCNC(=O)C[N@H+](CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000109791345 436625602 /nfs/dbraw/zinc/62/56/02/436625602.db2.gz KGXIMBDWNGFMMY-UHFFFAOYSA-N 1 2 327.388 0.365 20 30 ECEDLO CC(C)C[C@H](CNS(=O)(=O)N(C)CCC#N)[NH+]1CCOCC1 ZINC000105938560 436588758 /nfs/dbraw/zinc/58/87/58/436588758.db2.gz FFWFDBJNIQOTJV-CQSZACIVSA-N 1 2 332.470 0.413 20 30 ECEDLO N#C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CCO1 ZINC000106308911 436591098 /nfs/dbraw/zinc/59/10/98/436591098.db2.gz VUCWZPKJCNKHPS-CQSZACIVSA-N 1 2 334.445 0.617 20 30 ECEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCN(CC(N)=O)CC1 ZINC000107676930 436612565 /nfs/dbraw/zinc/61/25/65/436612565.db2.gz YYARYODPCRSXKG-SWKXRBFHSA-N 1 2 349.479 0.409 20 30 ECEDLO COC(=O)c1cccc(C[NH+]2CCC(O)(C(=O)OC)CC2)c1C#N ZINC000539885327 302174706 /nfs/dbraw/zinc/17/47/06/302174706.db2.gz FBHBTYBMSPGREA-UHFFFAOYSA-N 1 2 332.356 0.845 20 30 ECEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCO[C@H](C#N)C1 ZINC000269272995 436653058 /nfs/dbraw/zinc/65/30/58/436653058.db2.gz MJIXKIQCESFJHF-CYBMUJFWSA-N 1 2 331.376 0.983 20 30 ECEDLO CCCNC(=O)NC(=O)C[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000064634238 436649640 /nfs/dbraw/zinc/64/96/40/436649640.db2.gz MFIMLLLVLAINKZ-UHFFFAOYSA-N 1 2 344.419 0.701 20 30 ECEDLO CCCNC(=O)NC(=O)C[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000064634238 436649641 /nfs/dbraw/zinc/64/96/41/436649641.db2.gz MFIMLLLVLAINKZ-UHFFFAOYSA-N 1 2 344.419 0.701 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(C(N)=O)CCC3)CC2)cc1 ZINC000552109783 302384525 /nfs/dbraw/zinc/38/45/25/302384525.db2.gz HCYAGENBQXSMQK-UHFFFAOYSA-N 1 2 326.400 0.858 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC3(CNC(=O)C3)CC2)nc1 ZINC000554738342 302425792 /nfs/dbraw/zinc/42/57/92/302425792.db2.gz VLLURECCPFKDJL-UHFFFAOYSA-N 1 2 348.428 0.329 20 30 ECEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000194844267 436672832 /nfs/dbraw/zinc/67/28/32/436672832.db2.gz MFFKYIQTHXCWCK-AWEZNQCLSA-N 1 2 340.427 0.912 20 30 ECEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000068085842 436733671 /nfs/dbraw/zinc/73/36/71/436733671.db2.gz QLQWIBJNGUIVKQ-CYBMUJFWSA-N 1 2 330.388 0.345 20 30 ECEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000068085842 436733677 /nfs/dbraw/zinc/73/36/77/436733677.db2.gz QLQWIBJNGUIVKQ-CYBMUJFWSA-N 1 2 330.388 0.345 20 30 ECEDLO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000152811647 436742054 /nfs/dbraw/zinc/74/20/54/436742054.db2.gz ZLMAFXYZRPHMBV-NVXWUHKLSA-N 1 2 348.443 0.680 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCN(CC(F)(F)F)[C@H](C)C2)CC1 ZINC000128377082 436815574 /nfs/dbraw/zinc/81/55/74/436815574.db2.gz QDCUXWGHVOUUTE-CQSZACIVSA-N 1 2 346.397 0.332 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCC[C@H]2C(N)=O)CC1 ZINC000245968865 436769434 /nfs/dbraw/zinc/76/94/34/436769434.db2.gz FJNCHJVMSMBKDB-LSDHHAIUSA-N 1 2 335.452 0.019 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCCC[C@H]2C(N)=O)CC1 ZINC000245968865 436769437 /nfs/dbraw/zinc/76/94/37/436769437.db2.gz FJNCHJVMSMBKDB-LSDHHAIUSA-N 1 2 335.452 0.019 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+](CCOC)Cc2ccc(C)o2)CC1 ZINC000125422037 436771674 /nfs/dbraw/zinc/77/16/74/436771674.db2.gz AARMGDVEHXTRAH-UHFFFAOYSA-N 1 2 333.432 0.814 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+](CCOC)Cc2ccc(C)o2)CC1 ZINC000125422037 436771677 /nfs/dbraw/zinc/77/16/77/436771677.db2.gz AARMGDVEHXTRAH-UHFFFAOYSA-N 1 2 333.432 0.814 20 30 ECEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C2(C#N)CCOCC2)CC1 ZINC000154858108 436787285 /nfs/dbraw/zinc/78/72/85/436787285.db2.gz XTPPUIXRGMNNQW-HNNXBMFYSA-N 1 2 348.447 0.462 20 30 ECEDLO C=CCn1c(=O)c2ccc(C(=O)N[C@@H]3CC[NH2+]C3)cc2[nH]c1=S ZINC000126986696 436795644 /nfs/dbraw/zinc/79/56/44/436795644.db2.gz KWQAIOYNOMYQKP-LLVKDONJSA-N 1 2 330.413 0.963 20 30 ECEDLO C#CC[NH+]1CCN(Cn2nc(N3CCOCC3)sc2=S)CC1 ZINC000131167460 436848029 /nfs/dbraw/zinc/84/80/29/436848029.db2.gz AFSLUPAFQUAWCV-UHFFFAOYSA-N 1 2 339.490 0.719 20 30 ECEDLO CC#CC[N@@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC ZINC000293242142 436858749 /nfs/dbraw/zinc/85/87/49/436858749.db2.gz STEHTATVRKSUNY-UHFFFAOYSA-N 1 2 325.390 0.236 20 30 ECEDLO CC#CC[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC ZINC000293242142 436858751 /nfs/dbraw/zinc/85/87/51/436858751.db2.gz STEHTATVRKSUNY-UHFFFAOYSA-N 1 2 325.390 0.236 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000280261682 436876536 /nfs/dbraw/zinc/87/65/36/436876536.db2.gz XTHZLQMXGQMLFH-OLZOCXBDSA-N 1 2 334.424 0.109 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000280261682 436876538 /nfs/dbraw/zinc/87/65/38/436876538.db2.gz XTHZLQMXGQMLFH-OLZOCXBDSA-N 1 2 334.424 0.109 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000274951545 436898021 /nfs/dbraw/zinc/89/80/21/436898021.db2.gz HAOFVLRVEZOXEF-LBPRGKRZSA-N 1 2 329.404 0.859 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000274951545 436898026 /nfs/dbraw/zinc/89/80/26/436898026.db2.gz HAOFVLRVEZOXEF-LBPRGKRZSA-N 1 2 329.404 0.859 20 30 ECEDLO C#CCNc1nc(N(C)[C@H](CC)CO)nc(N(C)[C@H](CC)CO)[nH+]1 ZINC000294831108 436961762 /nfs/dbraw/zinc/96/17/62/436961762.db2.gz ACGRVSDHHBNIMK-CHWSQXEVSA-N 1 2 336.440 0.331 20 30 ECEDLO C#CCNc1nc(N(C)[C@H](CC)CO)[nH+]c(N(C)[C@H](CC)CO)n1 ZINC000294831108 436961764 /nfs/dbraw/zinc/96/17/64/436961764.db2.gz ACGRVSDHHBNIMK-CHWSQXEVSA-N 1 2 336.440 0.331 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCCCC(=O)OCC)C1=O ZINC000281280397 436959356 /nfs/dbraw/zinc/95/93/56/436959356.db2.gz IRXMFMWPZWVCDT-CYBMUJFWSA-N 1 2 325.409 0.165 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCCCC(=O)OCC)C1=O ZINC000281280397 436959358 /nfs/dbraw/zinc/95/93/58/436959358.db2.gz IRXMFMWPZWVCDT-CYBMUJFWSA-N 1 2 325.409 0.165 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(C#N)cc2)C1=O ZINC000281294660 436959792 /nfs/dbraw/zinc/95/97/92/436959792.db2.gz JMCIIYIZXPSRLD-MRXNPFEDSA-N 1 2 326.400 0.893 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)C1=O ZINC000281294660 436959795 /nfs/dbraw/zinc/95/97/95/436959795.db2.gz JMCIIYIZXPSRLD-MRXNPFEDSA-N 1 2 326.400 0.893 20 30 ECEDLO C[C@@H]1c2cccn2CCN1C(=O)C(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000297778752 437018706 /nfs/dbraw/zinc/01/87/06/437018706.db2.gz HRCSASPXELHEHI-CQSZACIVSA-N 1 2 343.431 0.838 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(CC)CC)n2CC)CC1 ZINC000282746660 437020849 /nfs/dbraw/zinc/02/08/49/437020849.db2.gz JRTPZIDSWCUGNN-UHFFFAOYSA-N 1 2 332.452 0.972 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)C1=O ZINC000298074797 437024748 /nfs/dbraw/zinc/02/47/48/437024748.db2.gz LFOXIAMPRPRUNA-AWEZNQCLSA-N 1 2 331.376 0.899 20 30 ECEDLO C=C(C)Cn1c(C)nnc1N1CC[NH+](CC(=O)NCCOC)CC1 ZINC000283565678 437030306 /nfs/dbraw/zinc/03/03/06/437030306.db2.gz JDDYNQLQWCLOCC-UHFFFAOYSA-N 1 2 336.440 0.047 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(CNC(C)=O)cc2)CC1 ZINC000299330388 437070825 /nfs/dbraw/zinc/07/08/25/437070825.db2.gz KLDGDFFXWNGUGA-UHFFFAOYSA-N 1 2 349.456 0.652 20 30 ECEDLO CNC(=O)NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285349441 437077735 /nfs/dbraw/zinc/07/77/35/437077735.db2.gz AOJIAQXBVTWXMR-UHFFFAOYSA-N 1 2 334.351 0.996 20 30 ECEDLO CCN(CC)C(=O)CON=C(N)C[NH+]1CCN(c2ccccc2)CC1 ZINC000177559290 437190108 /nfs/dbraw/zinc/19/01/08/437190108.db2.gz QOPZAVKKIMNFEJ-UHFFFAOYSA-N 1 2 347.463 0.966 20 30 ECEDLO C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)O1 ZINC000328638977 437245176 /nfs/dbraw/zinc/24/51/76/437245176.db2.gz BVOQXFHGRPHIQM-DSJMHWKBSA-N 1 2 339.436 0.690 20 30 ECEDLO O=C(NC1CCCCC1)N1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000329086859 437316061 /nfs/dbraw/zinc/31/60/61/437316061.db2.gz HBNXZWCOLRQKIM-UHFFFAOYSA-N 1 2 337.424 0.607 20 30 ECEDLO N#C[C@H]1CN(S(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CCO1 ZINC000336946357 437317577 /nfs/dbraw/zinc/31/75/77/437317577.db2.gz OHJXCIMSPVTBPJ-KGLIPLIRSA-N 1 2 338.389 0.004 20 30 ECEDLO CCOC(=O)CON=C(C(=O)NCc1[nH]c[nH+]c1C)c1cc[nH]n1 ZINC000278020371 437272048 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30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000329278453 437347147 /nfs/dbraw/zinc/34/71/47/437347147.db2.gz MBGVORTZMLXYAL-GDBMZVCRSA-N 1 2 327.425 0.503 20 30 ECEDLO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2C)CC1 ZINC000182405505 437347808 /nfs/dbraw/zinc/34/78/08/437347808.db2.gz KIEONJDEWDWUDK-OAHLLOKOSA-N 1 2 337.445 0.944 20 30 ECEDLO CC(=O)N1CC[NH+](CCNC(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000267965341 437349334 /nfs/dbraw/zinc/34/93/34/437349334.db2.gz ROAVSGPDBDFPJT-UHFFFAOYSA-N 1 2 336.342 0.730 20 30 ECEDLO C[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)c1nnc2ccccn21 ZINC000329361281 437357777 /nfs/dbraw/zinc/35/77/77/437357777.db2.gz ILPWQFSBGXAZJS-QWHCGFSZSA-N 1 2 331.424 0.540 20 30 ECEDLO C[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)c1nnc2ccccn21 ZINC000329361281 437357779 /nfs/dbraw/zinc/35/77/79/437357779.db2.gz ILPWQFSBGXAZJS-QWHCGFSZSA-N 1 2 331.424 0.540 20 30 ECEDLO CN(C(=O)CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)C1CCCCC1 ZINC000329423690 437367881 /nfs/dbraw/zinc/36/78/81/437367881.db2.gz HWXGLYUTQQEKQO-HNNXBMFYSA-N 1 2 339.484 0.527 20 30 ECEDLO CN(C(=O)CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C)C1CCCCC1 ZINC000329423690 437367884 /nfs/dbraw/zinc/36/78/84/437367884.db2.gz HWXGLYUTQQEKQO-HNNXBMFYSA-N 1 2 339.484 0.527 20 30 ECEDLO CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000329146223 437325180 /nfs/dbraw/zinc/32/51/80/437325180.db2.gz OEPIOFIUEWQTST-GDBMZVCRSA-N 1 2 327.425 0.503 20 30 ECEDLO CNC(=O)[C@H]1CN(C(=O)[C@H](C)[NH+]2CCOCC2)C[C@@H]1c1cnn(C)c1 ZINC000329162456 437328790 /nfs/dbraw/zinc/32/87/90/437328790.db2.gz FUPVJOGUYSUGDR-CFVMTHIKSA-N 1 2 349.435 0.269 20 30 ECEDLO CC(C)(CNC(=O)CN1CC[S@](=O)CC1(C)C)[NH+]1CCOCC1 ZINC000329187984 437332351 /nfs/dbraw/zinc/33/23/51/437332351.db2.gz PEGWNTBBPLUKFU-QHCPKHFHSA-N 1 2 345.509 0.897 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)C1=O ZINC000337154081 437335926 /nfs/dbraw/zinc/33/59/26/437335926.db2.gz MNJDIIQJQQBAAI-UONOGXRCSA-N 1 2 327.450 0.273 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)C1=O ZINC000337154081 437335931 /nfs/dbraw/zinc/33/59/31/437335931.db2.gz MNJDIIQJQQBAAI-UONOGXRCSA-N 1 2 327.450 0.273 20 30 ECEDLO C[C@@H]1CS(=O)(=O)CCN1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000329809610 437416349 /nfs/dbraw/zinc/41/63/49/437416349.db2.gz QEDUEYANNJDYBM-VXGBXAGGSA-N 1 2 326.422 0.793 20 30 ECEDLO C[C@H](C[NH+]=C([O-])N[C@@H]1CCc2c[nH]nc2C1)C[NH+]1CCN(C)CC1 ZINC000329834864 437418879 /nfs/dbraw/zinc/41/88/79/437418879.db2.gz LVUHVAQNFAQHLC-UKRRQHHQSA-N 1 2 334.468 0.654 20 30 ECEDLO C[C@H](CNC(=O)N[C@@H]1CCc2c[nH]nc2C1)C[NH+]1CCN(C)CC1 ZINC000329834864 437418884 /nfs/dbraw/zinc/41/88/84/437418884.db2.gz LVUHVAQNFAQHLC-UKRRQHHQSA-N 1 2 334.468 0.654 20 30 ECEDLO CS(=O)(=O)N1CCC(C(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000329889329 437424827 /nfs/dbraw/zinc/42/48/27/437424827.db2.gz DJQVCJYEKRCKLL-UHFFFAOYSA-N 1 2 345.465 0.479 20 30 ECEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329901575 437429422 /nfs/dbraw/zinc/42/94/22/437429422.db2.gz HBBONBSINWKKJW-BFYDXBDKSA-N 1 2 340.468 0.416 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000337771023 437378408 /nfs/dbraw/zinc/37/84/08/437378408.db2.gz OGSHNLRZXOTPMW-MELADBBJSA-N 1 2 332.470 0.506 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000337771023 437378412 /nfs/dbraw/zinc/37/84/12/437378412.db2.gz OGSHNLRZXOTPMW-MELADBBJSA-N 1 2 332.470 0.506 20 30 ECEDLO COCCOCCON=C(N)C[NH+]1CCN(c2ccccc2)CC1 ZINC000183246626 437380327 /nfs/dbraw/zinc/38/03/27/437380327.db2.gz IZRYBPRKGMUIOP-UHFFFAOYSA-N 1 2 336.436 0.760 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(COCC)n2CC=C)CC1 ZINC000337835605 437381629 /nfs/dbraw/zinc/38/16/29/437381629.db2.gz BYRSJABYFSDGFJ-UHFFFAOYSA-N 1 2 348.451 0.425 20 30 ECEDLO Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H]3C[N@H+](C)CCO3)C2)nn1 ZINC000329582927 437387730 /nfs/dbraw/zinc/38/77/30/437387730.db2.gz LORBYZYVCKHXFY-GJZGRUSLSA-N 1 2 348.451 0.588 20 30 ECEDLO Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC000329582927 437387731 /nfs/dbraw/zinc/38/77/31/437387731.db2.gz LORBYZYVCKHXFY-GJZGRUSLSA-N 1 2 348.451 0.588 20 30 ECEDLO [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1CCN(c2ncc(F)cn2)CC1 ZINC000329626823 437393595 /nfs/dbraw/zinc/39/35/95/437393595.db2.gz UCFJHIDKBRHEMJ-LBPRGKRZSA-N 1 2 345.382 0.932 20 30 ECEDLO [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1CCN(c2ncc(F)cn2)CC1 ZINC000329626823 437393598 /nfs/dbraw/zinc/39/35/98/437393598.db2.gz UCFJHIDKBRHEMJ-LBPRGKRZSA-N 1 2 345.382 0.932 20 30 ECEDLO Cc1nnc(CCNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)s1 ZINC000329636336 437394434 /nfs/dbraw/zinc/39/44/34/437394434.db2.gz YEAQCJOGCIWHNH-RYUDHWBXSA-N 1 2 325.438 0.708 20 30 ECEDLO Cc1nnc(CCNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)s1 ZINC000329636336 437394440 /nfs/dbraw/zinc/39/44/40/437394440.db2.gz YEAQCJOGCIWHNH-RYUDHWBXSA-N 1 2 325.438 0.708 20 30 ECEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2cc(OC)ncn2)CC1 ZINC000184063689 437397177 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N#CCCN(CC[NH+]1CCOCC1)C(=O)C[C@@H]1CCCCC(=O)N1 ZINC000366949494 438147801 /nfs/dbraw/zinc/14/78/01/438147801.db2.gz BPXKWKBRFLLTHH-HNNXBMFYSA-N 1 2 336.436 0.510 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000367174370 438176489 /nfs/dbraw/zinc/17/64/89/438176489.db2.gz UXMAHZWFPKKXJS-LSDHHAIUSA-N 1 2 344.481 0.652 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cnn(CC[NH+]2CCOCC2)c1 ZINC000373889266 438172061 /nfs/dbraw/zinc/17/20/61/438172061.db2.gz CLJSLMNCNGCTNQ-WBVHZDCISA-N 1 2 348.447 0.926 20 30 ECEDLO Cc1oc(C#N)cc1C(=O)N1CCO[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000373862474 438172966 /nfs/dbraw/zinc/17/29/66/438172966.db2.gz IPRUMOYGYGNZCU-HNNXBMFYSA-N 1 2 332.404 0.548 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@H]2C[C@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000374503973 438213468 /nfs/dbraw/zinc/21/34/68/438213468.db2.gz KHUFRPFPOQWSQQ-MROQNXINSA-N 1 2 339.392 0.182 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@H]2C[C@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000374503973 438213472 /nfs/dbraw/zinc/21/34/72/438213472.db2.gz KHUFRPFPOQWSQQ-MROQNXINSA-N 1 2 339.392 0.182 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)CC2(C#N)CCCC2)[C@@H](C)C1 ZINC000433366568 438242546 /nfs/dbraw/zinc/24/25/46/438242546.db2.gz RRMRFQWSNGBPLS-UONOGXRCSA-N 1 2 329.466 0.787 20 30 ECEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)CC2(C#N)CCCC2)[C@@H](C)C1 ZINC000433366568 438242548 /nfs/dbraw/zinc/24/25/48/438242548.db2.gz RRMRFQWSNGBPLS-UONOGXRCSA-N 1 2 329.466 0.787 20 30 ECEDLO CC(C)(CCC#N)CNC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000358701556 438285276 /nfs/dbraw/zinc/28/52/76/438285276.db2.gz ZBUIPIBWQNBOBU-UHFFFAOYSA-N 1 2 326.441 0.652 20 30 ECEDLO COCC[C@@H]1COCCN1CC#CC[N@@H+]1CCOC[C@@H]1CCOC ZINC000368270047 438307008 /nfs/dbraw/zinc/30/70/08/438307008.db2.gz RBHAZIZZEQJODK-HDICACEKSA-N 1 2 340.464 0.464 20 30 ECEDLO COCC[C@@H]1COCCN1CC#CC[N@H+]1CCOC[C@@H]1CCOC ZINC000368270047 438307011 /nfs/dbraw/zinc/30/70/11/438307011.db2.gz RBHAZIZZEQJODK-HDICACEKSA-N 1 2 340.464 0.464 20 30 ECEDLO COCC[C@@H]1COCC[N@H+]1CC#CCN1CCOC[C@@H]1CCOC ZINC000368270047 438307014 /nfs/dbraw/zinc/30/70/14/438307014.db2.gz RBHAZIZZEQJODK-HDICACEKSA-N 1 2 340.464 0.464 20 30 ECEDLO COCC[C@@H]1COCC[N@@H+]1CC#CCN1CCOC[C@@H]1CCOC ZINC000368270047 438307016 /nfs/dbraw/zinc/30/70/16/438307016.db2.gz RBHAZIZZEQJODK-HDICACEKSA-N 1 2 340.464 0.464 20 30 ECEDLO Cc1oc(C#N)cc1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000435687133 438378381 /nfs/dbraw/zinc/37/83/81/438378381.db2.gz COJDGCUYDFSGPO-UHFFFAOYSA-N 1 2 329.360 1.241 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378426553 438385069 /nfs/dbraw/zinc/38/50/69/438385069.db2.gz HYGBMWVAHHRDDK-OAHLLOKOSA-N 1 2 337.468 0.099 20 30 ECEDLO C=CCN(CCOC)C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000359273485 438400643 /nfs/dbraw/zinc/40/06/43/438400643.db2.gz OTKDOBAGBDFQQZ-AWEZNQCLSA-N 1 2 349.435 0.755 20 30 ECEDLO N#Cc1ccc(N[C@@H]2CCCN(CC[NH+]3CCOCC3)C2=O)nc1 ZINC000378567101 438402630 /nfs/dbraw/zinc/40/26/30/438402630.db2.gz HWEODEHMJLBTDD-OAHLLOKOSA-N 1 2 329.404 0.688 20 30 ECEDLO CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)n1 ZINC000359350332 438416418 /nfs/dbraw/zinc/41/64/18/438416418.db2.gz QXJORFPNOPBOQQ-UHFFFAOYSA-N 1 2 343.391 1.019 20 30 ECEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000352784915 438474520 /nfs/dbraw/zinc/47/45/20/438474520.db2.gz SKFHQYCBIIZKOM-LSDHHAIUSA-N 1 2 345.399 0.391 20 30 ECEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000352784915 438474526 /nfs/dbraw/zinc/47/45/26/438474526.db2.gz SKFHQYCBIIZKOM-LSDHHAIUSA-N 1 2 345.399 0.391 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000369287318 438447771 /nfs/dbraw/zinc/44/77/71/438447771.db2.gz GHDQFVJBAHXFFY-CHWSQXEVSA-N 1 2 330.454 0.008 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000369287318 438447775 /nfs/dbraw/zinc/44/77/75/438447775.db2.gz GHDQFVJBAHXFFY-CHWSQXEVSA-N 1 2 330.454 0.008 20 30 ECEDLO Cc1ncc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cc1C#N ZINC000408361051 438561064 /nfs/dbraw/zinc/56/10/64/438561064.db2.gz BYZDSEJAVUXBHA-NWDGAFQWSA-N 1 2 338.433 0.337 20 30 ECEDLO Cc1ncc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc1C#N ZINC000408361051 438561067 /nfs/dbraw/zinc/56/10/67/438561067.db2.gz BYZDSEJAVUXBHA-NWDGAFQWSA-N 1 2 338.433 0.337 20 30 ECEDLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000453700786 438689243 /nfs/dbraw/zinc/68/92/43/438689243.db2.gz SLZQNWWXLLSUMY-UHFFFAOYSA-N 1 2 330.388 0.482 20 30 ECEDLO Cn1ncc2c1nc(N)[nH+]c2N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000575002283 438732080 /nfs/dbraw/zinc/73/20/80/438732080.db2.gz DCYAKQJQHMTFGY-LLVKDONJSA-N 1 2 336.359 0.870 20 30 ECEDLO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C=[NH+]n2ccnn2)C1 ZINC000497212482 438779673 /nfs/dbraw/zinc/77/96/73/438779673.db2.gz VJUBEGWQUQJTRF-LBPRGKRZSA-N 1 2 336.396 0.875 20 30 ECEDLO Cc1cc(N(C)CC(=O)N(C)C)c(C#N)c(N(C)CC(=O)N(C)C)[nH+]1 ZINC000589103371 438855690 /nfs/dbraw/zinc/85/56/90/438855690.db2.gz JETNOEOAXGJUCP-UHFFFAOYSA-N 1 2 346.435 0.311 20 30 ECEDLO C=CCNS(=O)(=O)c1cccc(C(=O)NCCc2cn(C)c[nH+]2)c1 ZINC000457876402 438836494 /nfs/dbraw/zinc/83/64/94/438836494.db2.gz GTKANIHUNSALII-UHFFFAOYSA-N 1 2 348.428 0.857 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCN(C(=O)c3cc(C)n[nH]3)C[C@H]2C)C1=O ZINC000562688438 438854121 /nfs/dbraw/zinc/85/41/21/438854121.db2.gz OLKANHPRJWPGQN-HIFRSBDPSA-N 1 2 331.420 0.651 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCN(C(=O)c3cc(C)n[nH]3)C[C@H]2C)C1=O ZINC000562688438 438854124 /nfs/dbraw/zinc/85/41/24/438854124.db2.gz OLKANHPRJWPGQN-HIFRSBDPSA-N 1 2 331.420 0.651 20 30 ECEDLO N#CCCN1CCN(C(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000601458273 438902608 /nfs/dbraw/zinc/90/26/08/438902608.db2.gz DMJWYQHLXAEMHF-UHFFFAOYSA-N 1 2 344.419 0.174 20 30 ECEDLO N#CCCN1CCN(C(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000601458273 438902612 /nfs/dbraw/zinc/90/26/12/438902612.db2.gz DMJWYQHLXAEMHF-UHFFFAOYSA-N 1 2 344.419 0.174 20 30 ECEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2cccc(C#N)n2)CC1 ZINC000589448830 438871583 /nfs/dbraw/zinc/87/15/83/438871583.db2.gz JXWLKUBZPAFFHE-CQSZACIVSA-N 1 2 341.415 0.722 20 30 ECEDLO COCCN(CCC#N)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000589431441 438872882 /nfs/dbraw/zinc/87/28/82/438872882.db2.gz CMIMVVNMAROETP-UHFFFAOYSA-N 1 2 332.404 0.916 20 30 ECEDLO CC1(C)CN(S(=O)(=O)c2ccccc2CC#N)CC[N@@H+]1CCO ZINC000601399793 438876083 /nfs/dbraw/zinc/87/60/83/438876083.db2.gz MSUIWZJXPAQFHY-UHFFFAOYSA-N 1 2 337.445 0.830 20 30 ECEDLO CC1(C)CN(S(=O)(=O)c2ccccc2CC#N)CC[N@H+]1CCO ZINC000601399793 438876086 /nfs/dbraw/zinc/87/60/86/438876086.db2.gz MSUIWZJXPAQFHY-UHFFFAOYSA-N 1 2 337.445 0.830 20 30 ECEDLO N#CCC1(CS(=O)(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000601425370 438888172 /nfs/dbraw/zinc/88/81/72/438888172.db2.gz WRQIIXYOFNEIGL-AWEZNQCLSA-N 1 2 327.450 0.807 20 30 ECEDLO N#CCC1(CS(=O)(=O)N2CC[NH+](CCc3cnccn3)CC2)CC1 ZINC000601519737 438925127 /nfs/dbraw/zinc/92/51/27/438925127.db2.gz GVCSUSRYUQDOAP-UHFFFAOYSA-N 1 2 349.460 0.660 20 30 ECEDLO N#CCCCCS(=O)(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000601519617 438925375 /nfs/dbraw/zinc/92/53/75/438925375.db2.gz CSTXMQJGUDFCFE-UHFFFAOYSA-N 1 2 337.449 0.660 20 30 ECEDLO CCc1nc(C#N)cc(N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)n1 ZINC000596189992 438938034 /nfs/dbraw/zinc/93/80/34/438938034.db2.gz NVSNFHYTXMZZJI-CYBMUJFWSA-N 1 2 339.403 1.247 20 30 ECEDLO N#Cc1cccc(C[NH+]2CCC(NC(=O)C3CS(=O)(=O)C3)CC2)c1 ZINC000601658417 438952003 /nfs/dbraw/zinc/95/20/03/438952003.db2.gz KNLPFUDNRKDPMT-UHFFFAOYSA-N 1 2 347.440 0.683 20 30 ECEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC(C)(C)CC#N)CC1 ZINC000459260553 438954404 /nfs/dbraw/zinc/95/44/04/438954404.db2.gz QQIONXQKZTYZDS-ZDUSSCGKSA-N 1 2 335.452 0.921 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)c2ccn(C)n2)CC1 ZINC000459792629 439000165 /nfs/dbraw/zinc/00/01/65/439000165.db2.gz ODKHFNWKEFKQKR-GDBMZVCRSA-N 1 2 332.452 0.763 20 30 ECEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000566068821 439003348 /nfs/dbraw/zinc/00/33/48/439003348.db2.gz FHFDKYUMPBHCBM-AWEZNQCLSA-N 1 2 348.432 0.503 20 30 ECEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000566068821 439003354 /nfs/dbraw/zinc/00/33/54/439003354.db2.gz FHFDKYUMPBHCBM-AWEZNQCLSA-N 1 2 348.432 0.503 20 30 ECEDLO Cc1nc2ncnn2c(C)c1CCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000579424300 439007081 /nfs/dbraw/zinc/00/70/81/439007081.db2.gz GAFYWYDUKALDNF-MRXNPFEDSA-N 1 2 329.408 0.634 20 30 ECEDLO N#Cc1ccc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)nc1 ZINC000518744293 439008604 /nfs/dbraw/zinc/00/86/04/439008604.db2.gz KOBJMZMDFRDCJK-UHFFFAOYSA-N 1 2 326.360 0.734 20 30 ECEDLO N#CCCN1CCN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000602246223 439046606 /nfs/dbraw/zinc/04/66/06/439046606.db2.gz LTRJMGWGKNZHKF-UHFFFAOYSA-N 1 2 340.387 0.008 20 30 ECEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCC1(C#N)CCCCC1 ZINC000597401107 439092205 /nfs/dbraw/zinc/09/22/05/439092205.db2.gz NJIIHJYEKQTYQB-CQSZACIVSA-N 1 2 336.436 0.414 20 30 ECEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NCC1(C#N)CCCCC1 ZINC000597401107 439092211 /nfs/dbraw/zinc/09/22/11/439092211.db2.gz NJIIHJYEKQTYQB-CQSZACIVSA-N 1 2 336.436 0.414 20 30 ECEDLO Cn1cnn(-c2ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc2)c1=O ZINC000519817274 439067465 /nfs/dbraw/zinc/06/74/65/439067465.db2.gz CGPWPCSXMMBNAC-OAHLLOKOSA-N 1 2 330.392 0.189 20 30 ECEDLO Cn1cnn(-c2ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc2)c1=O ZINC000519817274 439067467 /nfs/dbraw/zinc/06/74/67/439067467.db2.gz CGPWPCSXMMBNAC-OAHLLOKOSA-N 1 2 330.392 0.189 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCC(C)(C)CC#N ZINC000602330711 439067811 /nfs/dbraw/zinc/06/78/11/439067811.db2.gz XRIWBQRAVLQQBJ-QGZVFWFLSA-N 1 2 338.452 0.841 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCC(C)(C)CC#N ZINC000602330711 439067815 /nfs/dbraw/zinc/06/78/15/439067815.db2.gz XRIWBQRAVLQQBJ-QGZVFWFLSA-N 1 2 338.452 0.841 20 30 ECEDLO Cc1cccc2[nH+]c(CCNC(=O)NCCn3cnc(C#N)n3)cn21 ZINC000591994942 439128748 /nfs/dbraw/zinc/12/87/48/439128748.db2.gz SEQCASZGUWNCJR-UHFFFAOYSA-N 1 2 338.375 0.648 20 30 ECEDLO COC(=O)C1CCN(C(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)CC1 ZINC000602854871 439144265 /nfs/dbraw/zinc/14/42/65/439144265.db2.gz DDUBRHCYENECIK-OKILXGFUSA-N 1 2 336.436 0.316 20 30 ECEDLO COC(=O)C1CCN(C(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)CC1 ZINC000602854871 439144268 /nfs/dbraw/zinc/14/42/68/439144268.db2.gz DDUBRHCYENECIK-OKILXGFUSA-N 1 2 336.436 0.316 20 30 ECEDLO C[C@@H]1C[N@@H+](CC(=O)NCCCN2CCCC2=O)C[C@H](C)N1CC#N ZINC000602857608 439144758 /nfs/dbraw/zinc/14/47/58/439144758.db2.gz UCHXQHAITPTOMK-GASCZTMLSA-N 1 2 335.452 0.033 20 30 ECEDLO C[C@@H]1C[N@H+](CC(=O)NCCCN2CCCC2=O)C[C@H](C)N1CC#N ZINC000602857608 439144764 /nfs/dbraw/zinc/14/47/64/439144764.db2.gz UCHXQHAITPTOMK-GASCZTMLSA-N 1 2 335.452 0.033 20 30 ECEDLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)C(=O)N1CCCCC1 ZINC000602854247 439145057 /nfs/dbraw/zinc/14/50/57/439145057.db2.gz AZLFIZHXFRFUNP-OWCLPIDISA-N 1 2 349.479 0.422 20 30 ECEDLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)C(=O)N1CCCCC1 ZINC000602854247 439145063 /nfs/dbraw/zinc/14/50/63/439145063.db2.gz AZLFIZHXFRFUNP-OWCLPIDISA-N 1 2 349.479 0.422 20 30 ECEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](Cn3ccnn3)C2)cc1 ZINC000602902106 439154627 /nfs/dbraw/zinc/15/46/27/439154627.db2.gz GHPNXSYMVBWNCB-RDJZCZTQSA-N 1 2 343.387 0.290 20 30 ECEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@H](Cn3ccnn3)C2)cc1 ZINC000602902106 439154632 /nfs/dbraw/zinc/15/46/32/439154632.db2.gz GHPNXSYMVBWNCB-RDJZCZTQSA-N 1 2 343.387 0.290 20 30 ECEDLO CC(C)CN1C[C@H]2C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CCN2C1=O ZINC000488733818 439200703 /nfs/dbraw/zinc/20/07/03/439200703.db2.gz MNLHVGKDOLUALX-HUUCEWRRSA-N 1 2 335.452 0.825 20 30 ECEDLO CC(C)CN1C[C@H]2C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CCN2C1=O ZINC000488733818 439200706 /nfs/dbraw/zinc/20/07/06/439200706.db2.gz MNLHVGKDOLUALX-HUUCEWRRSA-N 1 2 335.452 0.825 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(=O)n(-c2ccccc2F)n1 ZINC000567995164 439201930 /nfs/dbraw/zinc/20/19/30/439201930.db2.gz CRZAWNOXRJNWDL-KRWDZBQOSA-N 1 2 343.362 0.945 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 ZINC000567995681 439202983 /nfs/dbraw/zinc/20/29/83/439202983.db2.gz RWHOYDBVFIGXQV-QGZVFWFLSA-N 1 2 340.387 0.545 20 30 ECEDLO C[N@H+](CCC#N)C[C@@H](O)CN[C@@H](CO)c1nc(-c2ccccc2)no1 ZINC000592432418 439227639 /nfs/dbraw/zinc/22/76/39/439227639.db2.gz WVISIFLKUUXSRZ-GJZGRUSLSA-N 1 2 345.403 0.566 20 30 ECEDLO C[N@@H+](CCC#N)C[C@@H](O)CN[C@@H](CO)c1nc(-c2ccccc2)no1 ZINC000592432418 439227645 /nfs/dbraw/zinc/22/76/45/439227645.db2.gz WVISIFLKUUXSRZ-GJZGRUSLSA-N 1 2 345.403 0.566 20 30 ECEDLO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H](CO)c1nc(-c2ccccc2)no1 ZINC000592432418 439227646 /nfs/dbraw/zinc/22/76/46/439227646.db2.gz WVISIFLKUUXSRZ-GJZGRUSLSA-N 1 2 345.403 0.566 20 30 ECEDLO C=C[C@H](C(=O)OC)n1cc(Cn2cc[nH+]c2CN2CCOCC2)nn1 ZINC000603233078 439213449 /nfs/dbraw/zinc/21/34/49/439213449.db2.gz HIBSIJAOMGWITF-CQSZACIVSA-N 1 2 346.391 0.255 20 30 ECEDLO C#CCN(C(=O)Cc1cn2cccc(C)c2[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000490615711 439277189 /nfs/dbraw/zinc/27/71/89/439277189.db2.gz HGPQFOVRIBXKAC-OAHLLOKOSA-N 1 2 345.424 0.834 20 30 ECEDLO C#CCN(C(=O)Cc1cn2cccc(C)c2[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC000490615708 439278252 /nfs/dbraw/zinc/27/82/52/439278252.db2.gz HGPQFOVRIBXKAC-HNNXBMFYSA-N 1 2 345.424 0.834 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\c2ccc(C)o2)CC1 ZINC000490615782 439280830 /nfs/dbraw/zinc/28/08/30/439280830.db2.gz HPMIVNDXQBEUTH-FPLPWBNLSA-N 1 2 329.400 0.885 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\c2ccc(C)o2)CC1 ZINC000490615782 439280835 /nfs/dbraw/zinc/28/08/35/439280835.db2.gz HPMIVNDXQBEUTH-FPLPWBNLSA-N 1 2 329.400 0.885 20 30 ECEDLO CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000598585345 439282254 /nfs/dbraw/zinc/28/22/54/439282254.db2.gz CMIOFVYSSPMLGX-CQSZACIVSA-N 1 2 336.436 0.054 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)COc2cccc(F)c2)CC1 ZINC000490651456 439282946 /nfs/dbraw/zinc/28/29/46/439282946.db2.gz SFOVVVWXOPBFSQ-UHFFFAOYSA-N 1 2 347.390 0.488 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)COc2cccc(F)c2)CC1 ZINC000490651456 439282952 /nfs/dbraw/zinc/28/29/52/439282952.db2.gz SFOVVVWXOPBFSQ-UHFFFAOYSA-N 1 2 347.390 0.488 20 30 ECEDLO N#Cc1cn(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)nn1 ZINC000603334886 439242489 /nfs/dbraw/zinc/24/24/89/439242489.db2.gz VGRBDWJAUWJJFV-UHFFFAOYSA-N 1 2 340.387 0.298 20 30 ECEDLO CC[C@@H](C#N)C(=O)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000598362411 439256575 /nfs/dbraw/zinc/25/65/75/439256575.db2.gz AAWDCBIODRNOPS-FUHWJXTLSA-N 1 2 331.416 0.916 20 30 ECEDLO CC[C@@H](C#N)C(=O)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000598362411 439256579 /nfs/dbraw/zinc/25/65/79/439256579.db2.gz AAWDCBIODRNOPS-FUHWJXTLSA-N 1 2 331.416 0.916 20 30 ECEDLO N#Cc1ccc(C(F)(F)F)nc1N1CC2(C1)CC(=O)NCC[NH2+]2 ZINC000603417428 439257942 /nfs/dbraw/zinc/25/79/42/439257942.db2.gz ZMHZTKMWKPQBLU-UHFFFAOYSA-N 1 2 325.294 0.640 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000527298171 439262789 /nfs/dbraw/zinc/26/27/89/439262789.db2.gz SJDTUECLMSUYPC-AWEZNQCLSA-N 1 2 330.436 0.489 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(Cc2cnn(C)c2)CC1 ZINC000527298171 439262795 /nfs/dbraw/zinc/26/27/95/439262795.db2.gz SJDTUECLMSUYPC-AWEZNQCLSA-N 1 2 330.436 0.489 20 30 ECEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000603590968 439273134 /nfs/dbraw/zinc/27/31/34/439273134.db2.gz UEKVEZAXNKRPIH-UHFFFAOYSA-N 1 2 344.375 0.097 20 30 ECEDLO C#CCNS(=O)(=O)c1ccc(C(=O)NCCc2c[nH+]cn2C)cc1 ZINC000490934060 439313728 /nfs/dbraw/zinc/31/37/28/439313728.db2.gz HERHSRIFRGNNBB-UHFFFAOYSA-N 1 2 346.412 0.304 20 30 ECEDLO CC[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2cccc(C#N)n2)CCO1 ZINC000569220630 439314469 /nfs/dbraw/zinc/31/44/69/439314469.db2.gz ZJWDMBVKRYLAEK-ZDUSSCGKSA-N 1 2 331.376 0.119 20 30 ECEDLO CC[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cccc(C#N)n2)CCO1 ZINC000569220630 439314474 /nfs/dbraw/zinc/31/44/74/439314474.db2.gz ZJWDMBVKRYLAEK-ZDUSSCGKSA-N 1 2 331.376 0.119 20 30 ECEDLO C#CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)C1CCCC1 ZINC000491122651 439336155 /nfs/dbraw/zinc/33/61/55/439336155.db2.gz XCUUTQOGYUHUCS-KRWDZBQOSA-N 1 2 349.475 0.864 20 30 ECEDLO C[C@@H](O)C[C@@H]1COCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528450102 439336842 /nfs/dbraw/zinc/33/68/42/439336842.db2.gz KKJWBJFFRPTASK-HUUCEWRRSA-N 1 2 342.395 0.758 20 30 ECEDLO C[C@@H](O)C[C@@H]1COCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528450102 439336847 /nfs/dbraw/zinc/33/68/47/439336847.db2.gz KKJWBJFFRPTASK-HUUCEWRRSA-N 1 2 342.395 0.758 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)COc2ccc(O)cc2)CC1 ZINC000490696291 439288095 /nfs/dbraw/zinc/28/80/95/439288095.db2.gz HFPPEPKUVGRLAI-UHFFFAOYSA-N 1 2 345.399 0.055 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)COc2ccc(O)cc2)CC1 ZINC000490696291 439288098 /nfs/dbraw/zinc/28/80/98/439288098.db2.gz HFPPEPKUVGRLAI-UHFFFAOYSA-N 1 2 345.399 0.055 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(C)Cc2nccn2C(F)F)CC1 ZINC000490742036 439293172 /nfs/dbraw/zinc/29/31/72/439293172.db2.gz UWZSMZFGPUFIOE-UHFFFAOYSA-N 1 2 325.363 0.487 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)N[C@@]3(CCC(C)(C)C3)C2=O)CC1 ZINC000490830970 439302393 /nfs/dbraw/zinc/30/23/93/439302393.db2.gz OCTKQQWWESKPGW-GOSISDBHSA-N 1 2 346.431 0.265 20 30 ECEDLO C#CC[N@@H+](CC)CC(=O)NN1C(=O)N[C@@](CC)(c2ccccc2)C1=O ZINC000490839610 439303512 /nfs/dbraw/zinc/30/35/12/439303512.db2.gz IWNHZWSOZFUAFP-SFHVURJKSA-N 1 2 342.399 0.830 20 30 ECEDLO C#CC[N@H+](CC)CC(=O)NN1C(=O)N[C@@](CC)(c2ccccc2)C1=O ZINC000490839610 439303516 /nfs/dbraw/zinc/30/35/16/439303516.db2.gz IWNHZWSOZFUAFP-SFHVURJKSA-N 1 2 342.399 0.830 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(COCC)n2C[C@@H]2CCCO2)CC1 ZINC000491154390 439339509 /nfs/dbraw/zinc/33/95/09/439339509.db2.gz JHVZDBHALIETHW-HNNXBMFYSA-N 1 2 333.436 0.749 20 30 ECEDLO COc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1N1CCNC1=O ZINC000582488543 439343501 /nfs/dbraw/zinc/34/35/01/439343501.db2.gz JJCFGLYVKLDKOM-KRWDZBQOSA-N 1 2 345.403 0.798 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CC1(Cn2cnnn2)CCCCC1 ZINC000593153353 439350550 /nfs/dbraw/zinc/35/05/50/439350550.db2.gz MBNKIKJIVABCAH-HNNXBMFYSA-N 1 2 333.440 0.974 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(-c3ncnn3C)cc2)CC1 ZINC000491315251 439367347 /nfs/dbraw/zinc/36/73/47/439367347.db2.gz MCBWJESJPGIQAP-UHFFFAOYSA-N 1 2 339.399 0.638 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@@H](C)C(=O)N(CC)CC(=C)C)CC1 ZINC000491387778 439375421 /nfs/dbraw/zinc/37/54/21/439375421.db2.gz YRLZWKNOJTUNJZ-INIZCTEOSA-N 1 2 334.464 0.167 20 30 ECEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000599195529 439379930 /nfs/dbraw/zinc/37/99/30/439379930.db2.gz SGPYCOQELMEZFR-OAHLLOKOSA-N 1 2 344.419 0.115 20 30 ECEDLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000599195529 439379934 /nfs/dbraw/zinc/37/99/34/439379934.db2.gz SGPYCOQELMEZFR-OAHLLOKOSA-N 1 2 344.419 0.115 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+](CC2CC2)[C@](C)(CC)C(=O)OC)CC1 ZINC000491483630 439391714 /nfs/dbraw/zinc/39/17/14/439391714.db2.gz CWWGALSQDAZSNE-LJQANCHMSA-N 1 2 349.475 0.818 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+](CC2CC2)[C@](C)(CC)C(=O)OC)CC1 ZINC000491483630 439391717 /nfs/dbraw/zinc/39/17/17/439391717.db2.gz CWWGALSQDAZSNE-LJQANCHMSA-N 1 2 349.475 0.818 20 30 ECEDLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593551721 439403836 /nfs/dbraw/zinc/40/38/36/439403836.db2.gz KFXILUDRTKNZKV-LLVKDONJSA-N 1 2 329.447 0.697 20 30 ECEDLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593551722 439403874 /nfs/dbraw/zinc/40/38/74/439403874.db2.gz KFXILUDRTKNZKV-NSHDSACASA-N 1 2 329.447 0.697 20 30 ECEDLO C#CCN1C(=O)C[C@H]([N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)C1=O ZINC000491542820 439403930 /nfs/dbraw/zinc/40/39/30/439403930.db2.gz CHTGZLRKFSUEJO-LIRRHRJNSA-N 1 2 338.363 0.857 20 30 ECEDLO C#CCN1C(=O)C[C@H]([N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)C1=O ZINC000491542820 439403935 /nfs/dbraw/zinc/40/39/35/439403935.db2.gz CHTGZLRKFSUEJO-LIRRHRJNSA-N 1 2 338.363 0.857 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC23CCSCC3)CC1 ZINC000491627757 439414943 /nfs/dbraw/zinc/41/49/43/439414943.db2.gz JYDKJLDHUIRAJX-HNNXBMFYSA-N 1 2 349.500 0.803 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC23CCSCC3)CC1 ZINC000491627757 439414948 /nfs/dbraw/zinc/41/49/48/439414948.db2.gz JYDKJLDHUIRAJX-HNNXBMFYSA-N 1 2 349.500 0.803 20 30 ECEDLO N#CCc1ccc(CS(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000593652841 439437901 /nfs/dbraw/zinc/43/79/01/439437901.db2.gz MSXAHWGSDGZERS-MRXNPFEDSA-N 1 2 335.429 0.333 20 30 ECEDLO N#CCc1ccc(CS(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000593652841 439437904 /nfs/dbraw/zinc/43/79/04/439437904.db2.gz MSXAHWGSDGZERS-MRXNPFEDSA-N 1 2 335.429 0.333 20 30 ECEDLO C#CC[NH+]1CCN(CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000491752925 439442372 /nfs/dbraw/zinc/44/23/72/439442372.db2.gz NGKVPLOJPRHUSN-QGZVFWFLSA-N 1 2 344.371 0.740 20 30 ECEDLO C#C[C@H]1COCCN1C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000491761130 439444997 /nfs/dbraw/zinc/44/49/97/439444997.db2.gz UQXZRTWSXZZJHF-HOCLYGCPSA-N 1 2 344.415 0.850 20 30 ECEDLO C#C[C@H](CC)NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000491758996 439445023 /nfs/dbraw/zinc/44/50/23/439445023.db2.gz KUTPIJQJZRWSEF-MRXNPFEDSA-N 1 2 342.443 0.901 20 30 ECEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O ZINC000491779256 439449668 /nfs/dbraw/zinc/44/96/68/439449668.db2.gz ISWJTKCSAMQLCG-FZKQIMNGSA-N 1 2 342.399 0.828 20 30 ECEDLO C#C[C@@H](C)[N@H+](C)CC(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O ZINC000491779256 439449673 /nfs/dbraw/zinc/44/96/73/439449673.db2.gz ISWJTKCSAMQLCG-FZKQIMNGSA-N 1 2 342.399 0.828 20 30 ECEDLO C#CCn1ccc(CN(CCOC)c2cc(NC[C@@H](C)O)[nH+]cn2)n1 ZINC000491794245 439451990 /nfs/dbraw/zinc/45/19/90/439451990.db2.gz PLTYJAOKYVMYRS-CQSZACIVSA-N 1 2 344.419 0.752 20 30 ECEDLO C#CCn1ccc(CN(CCOC)c2cc(NC[C@@H](C)O)nc[nH+]2)n1 ZINC000491794245 439451994 /nfs/dbraw/zinc/45/19/94/439451994.db2.gz PLTYJAOKYVMYRS-CQSZACIVSA-N 1 2 344.419 0.752 20 30 ECEDLO COC(=O)C[C@@H]1COCC[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000599418667 439463747 /nfs/dbraw/zinc/46/37/47/439463747.db2.gz JYGNQIIDZZEPSX-HUUCEWRRSA-N 1 2 334.372 0.562 20 30 ECEDLO COC(=O)C[C@@H]1COCC[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000599418667 439463753 /nfs/dbraw/zinc/46/37/53/439463753.db2.gz JYGNQIIDZZEPSX-HUUCEWRRSA-N 1 2 334.372 0.562 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000599440112 439467218 /nfs/dbraw/zinc/46/72/18/439467218.db2.gz FREXISZVLCQKQK-PBHICJAKSA-N 1 2 332.452 0.970 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(Cc2cn[nH]c2)CC1 ZINC000599440112 439467224 /nfs/dbraw/zinc/46/72/24/439467224.db2.gz FREXISZVLCQKQK-PBHICJAKSA-N 1 2 332.452 0.970 20 30 ECEDLO COC(=O)c1n[nH]c2c1C[N@H+](C[C@H](O)CC1(C#N)CCOCC1)CC2 ZINC000599433775 439468738 /nfs/dbraw/zinc/46/87/38/439468738.db2.gz ZLVUDVZZOKRDHV-GFCCVEGCSA-N 1 2 348.403 0.626 20 30 ECEDLO COC(=O)c1n[nH]c2c1C[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)CC2 ZINC000599433775 439468741 /nfs/dbraw/zinc/46/87/41/439468741.db2.gz ZLVUDVZZOKRDHV-GFCCVEGCSA-N 1 2 348.403 0.626 20 30 ECEDLO CC1(C)C[N@H+](CCNC(=O)C(=O)Nc2cccc(C#N)n2)CCO1 ZINC000571204941 439483436 /nfs/dbraw/zinc/48/34/36/439483436.db2.gz JCSNQGOGEMPUPD-UHFFFAOYSA-N 1 2 331.376 0.119 20 30 ECEDLO CC1(C)C[N@@H+](CCNC(=O)C(=O)Nc2cccc(C#N)n2)CCO1 ZINC000571204941 439483438 /nfs/dbraw/zinc/48/34/38/439483438.db2.gz JCSNQGOGEMPUPD-UHFFFAOYSA-N 1 2 331.376 0.119 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000594024168 439509644 /nfs/dbraw/zinc/50/96/44/439509644.db2.gz DOAFBBIJKVJDJD-CQSZACIVSA-N 1 2 330.454 0.008 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cnc(N3CCCC3)nc2)CC1 ZINC000535068891 439533232 /nfs/dbraw/zinc/53/32/32/439533232.db2.gz FMWPSTUKSVIIKX-UHFFFAOYSA-N 1 2 344.463 0.497 20 30 ECEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)NCC(=O)N1CCCC1)C2 ZINC000599679787 439535287 /nfs/dbraw/zinc/53/52/87/439535287.db2.gz XTIOWNJOPORHFD-UHFFFAOYSA-N 1 2 340.427 0.849 20 30 ECEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)NCC(=O)N1CCCC1)C2 ZINC000599679787 439535292 /nfs/dbraw/zinc/53/52/92/439535292.db2.gz XTIOWNJOPORHFD-UHFFFAOYSA-N 1 2 340.427 0.849 20 30 ECEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1C#N)CC2 ZINC000599718320 439543815 /nfs/dbraw/zinc/54/38/15/439543815.db2.gz PUQNLZHOQUMXOQ-GFCCVEGCSA-N 1 2 341.419 1.022 20 30 ECEDLO Cc1nnc([C@@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)o1 ZINC000542617111 439557239 /nfs/dbraw/zinc/55/72/39/439557239.db2.gz PUKLEWIHPSTKMG-TZMCWYRMSA-N 1 2 334.424 0.721 20 30 ECEDLO CC(=O)NC[C@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000609806976 439588490 /nfs/dbraw/zinc/58/84/90/439588490.db2.gz PWCUMQMKQXRIJW-WMZOPIPTSA-N 1 2 347.415 0.329 20 30 ECEDLO CC(=O)NC[C@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000609806976 439588494 /nfs/dbraw/zinc/58/84/94/439588494.db2.gz PWCUMQMKQXRIJW-WMZOPIPTSA-N 1 2 347.415 0.329 20 30 ECEDLO N#Cc1cnn2cc(C[NH+]3CCN(c4nc(N)ns4)CC3)cnc12 ZINC000573847937 439672109 /nfs/dbraw/zinc/67/21/09/439672109.db2.gz VCSLTYSORUSRGI-UHFFFAOYSA-N 1 2 341.404 0.357 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000611093829 439672569 /nfs/dbraw/zinc/67/25/69/439672569.db2.gz HFICDCOTPJTTOW-UHFFFAOYSA-N 1 2 344.375 0.123 20 30 ECEDLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)NCc1ccc(C#N)cc1F)CC2 ZINC000586864995 439666323 /nfs/dbraw/zinc/66/63/23/439666323.db2.gz WIUDXUUDJYCBNG-UHFFFAOYSA-N 1 2 341.346 0.861 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000574209723 439690704 /nfs/dbraw/zinc/69/07/04/439690704.db2.gz FZQNDIMDJBHILY-IIYDPXPESA-N 1 2 334.420 0.512 20 30 ECEDLO C[C@@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1cccc(C#N)c1 ZINC000611389484 439694669 /nfs/dbraw/zinc/69/46/69/439694669.db2.gz XHOGTKCQMWXGHQ-SNVBAGLBSA-N 1 2 338.371 0.683 20 30 ECEDLO CC(C)[C@@H](C#N)N1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000611432203 439696559 /nfs/dbraw/zinc/69/65/59/439696559.db2.gz SKPWVMPAWHNHPL-OAHLLOKOSA-N 1 2 333.392 0.922 20 30 ECEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3coc(S(N)(=O)=O)c3)C2)nc1 ZINC000595502925 439735054 /nfs/dbraw/zinc/73/50/54/439735054.db2.gz XMGXMFSURJRBIC-ZDUSSCGKSA-N 1 2 348.384 0.847 20 30 ECEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3coc(S(N)(=O)=O)c3)C2)nc1 ZINC000595502925 439735056 /nfs/dbraw/zinc/73/50/56/439735056.db2.gz XMGXMFSURJRBIC-ZDUSSCGKSA-N 1 2 348.384 0.847 20 30 ECEDLO C=CC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000617786224 439973291 /nfs/dbraw/zinc/97/32/91/439973291.db2.gz VYGYDDVTGAINKE-IAGOWNOFSA-N 1 2 349.475 0.982 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C ZINC000627631411 440278918 /nfs/dbraw/zinc/27/89/18/440278918.db2.gz RXHCPZMWSGZFBR-DHMWGJHJSA-N 1 2 348.403 0.168 20 30 ECEDLO C=CCOCCCC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000628578609 440509694 /nfs/dbraw/zinc/50/96/94/440509694.db2.gz OIWPAONSERECEQ-KRWDZBQOSA-N 1 2 326.437 0.701 20 30 ECEDLO C=CCOCCCC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000628578609 440509700 /nfs/dbraw/zinc/50/97/00/440509700.db2.gz OIWPAONSERECEQ-KRWDZBQOSA-N 1 2 326.437 0.701 20 30 ECEDLO C=CCN1C(=O)C(=O)N(CC(=O)Nc2c[nH+]c3n2CCCC3)C1=O ZINC000650569579 440655894 /nfs/dbraw/zinc/65/58/94/440655894.db2.gz PRMUIHKIJDZBAG-UHFFFAOYSA-N 1 2 331.332 0.135 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000645063605 440741494 /nfs/dbraw/zinc/74/14/94/440741494.db2.gz VKYABCICTRJYJR-YOEHRIQHSA-N 1 2 343.427 0.826 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000661882608 440928531 /nfs/dbraw/zinc/92/85/31/440928531.db2.gz UJCXRDVIOYQMDO-APIJFGDWSA-N 1 2 344.477 0.543 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000661882608 440928535 /nfs/dbraw/zinc/92/85/35/440928535.db2.gz UJCXRDVIOYQMDO-APIJFGDWSA-N 1 2 344.477 0.543 20 30 ECEDLO C=CCC[C@H](O)Cn1cc(Cn2cc[nH+]c2CN2CCOCC2)nn1 ZINC000641212486 441074246 /nfs/dbraw/zinc/07/42/46/441074246.db2.gz LPHKNGIQWWQOAT-INIZCTEOSA-N 1 2 346.435 0.682 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccncc2C#N)CC1 ZINC000547824693 322140378 /nfs/dbraw/zinc/14/03/78/322140378.db2.gz NXMFQEFCRFQWKF-CQSZACIVSA-N 1 2 331.420 0.616 20 30 ECEDLO CCOC1CC(CNC(=O)c2cnccc2C#N)([NH+]2CCOCC2)C1 ZINC000561594790 322262605 /nfs/dbraw/zinc/26/26/05/322262605.db2.gz YLEAPWQQPXEYNW-UHFFFAOYSA-N 1 2 344.415 0.953 20 30 ECEDLO COCC(COC)[NH+]1CCN(C(=O)Nc2cccc(C#N)n2)CC1 ZINC000576036990 322800561 /nfs/dbraw/zinc/80/05/61/322800561.db2.gz DZTYTGAQMRDGPN-UHFFFAOYSA-N 1 2 333.392 0.764 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2nc(C)sc2C)CC1 ZINC000163832413 526991345 /nfs/dbraw/zinc/99/13/45/526991345.db2.gz LKCCDZWYZGZZFK-UHFFFAOYSA-N 1 2 348.472 0.586 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2nc(C)sc2C)CC1 ZINC000163832413 526991350 /nfs/dbraw/zinc/99/13/50/526991350.db2.gz LKCCDZWYZGZZFK-UHFFFAOYSA-N 1 2 348.472 0.586 20 30 ECEDLO CC[N@H+](CCS(C)(=O)=O)C[C@H](O)COc1ccc(C#N)cc1 ZINC000154246930 528582567 /nfs/dbraw/zinc/58/25/67/528582567.db2.gz AWAQVQNZQUQBRU-AWEZNQCLSA-N 1 2 326.418 0.664 20 30 ECEDLO CC[N@@H+](CCS(C)(=O)=O)C[C@H](O)COc1ccc(C#N)cc1 ZINC000154246930 528582574 /nfs/dbraw/zinc/58/25/74/528582574.db2.gz AWAQVQNZQUQBRU-AWEZNQCLSA-N 1 2 326.418 0.664 20 30 ECEDLO CC(C)(C)c1ncc(NC(=O)NC[C@@H](O)C[NH+]2CCOCC2)cn1 ZINC000328902964 546008499 /nfs/dbraw/zinc/00/84/99/546008499.db2.gz HGBQBGXXQXQAGL-CYBMUJFWSA-N 1 2 337.424 0.793 20 30 ECEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCC(=O)N3CCCC3)C2)CC1 ZINC000329192887 546016389 /nfs/dbraw/zinc/01/63/89/546016389.db2.gz TUDDALYWOOXBSQ-OAHLLOKOSA-N 1 2 337.468 0.235 20 30 ECEDLO Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000329185710 546017125 /nfs/dbraw/zinc/01/71/25/546017125.db2.gz POAQACZSRGODMY-LLVKDONJSA-N 1 2 333.392 0.551 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000349763476 546133102 /nfs/dbraw/zinc/13/31/02/546133102.db2.gz IELKPPFEPYUBGF-UHFFFAOYSA-N 1 2 345.369 0.865 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000349763476 546133106 /nfs/dbraw/zinc/13/31/06/546133106.db2.gz IELKPPFEPYUBGF-UHFFFAOYSA-N 1 2 345.369 0.865 20 30 ECEDLO C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1 ZINC000623279772 546766580 /nfs/dbraw/zinc/76/65/80/546766580.db2.gz CYIAUCGSLYRLJK-ZDUSSCGKSA-N 1 2 346.412 0.702 20 30 ECEDLO C=CCn1cc(C(=O)N2CCN(Cc3[nH+]ccn3CC)CC2)nn1 ZINC000648779523 547419673 /nfs/dbraw/zinc/41/96/73/547419673.db2.gz UBCKHSCGHGMZDA-UHFFFAOYSA-N 1 2 329.408 0.639 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000668367993 547637131 /nfs/dbraw/zinc/63/71/31/547637131.db2.gz OUEWSJBXUXJQTP-MRXNPFEDSA-N 1 2 333.436 0.535 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cn3cccc(F)c3n2)CC1 ZINC000678128022 549001539 /nfs/dbraw/zinc/00/15/39/549001539.db2.gz IVYUERPSTNNMLQ-UHFFFAOYSA-N 1 2 331.395 0.893 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000678889042 549057655 /nfs/dbraw/zinc/05/76/55/549057655.db2.gz NDDKOZBSAJTKEB-AWEZNQCLSA-N 1 2 332.452 0.820 20 30 ECEDLO C=CCOCCNC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000679949282 549137534 /nfs/dbraw/zinc/13/75/34/549137534.db2.gz XQAZJAKGTSKDDK-ZDUSSCGKSA-N 1 2 335.408 0.413 20 30 ECEDLO COc1cc[nH+]cc1NC(=O)C(=O)NCCNc1ncccc1C#N ZINC000748472072 579325162 /nfs/dbraw/zinc/32/51/62/579325162.db2.gz WDJMNMOPZLZYOY-UHFFFAOYSA-N 1 2 340.343 0.524 20 30 ECEDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(C#N)s2)CC1 ZINC000749386010 579337591 /nfs/dbraw/zinc/33/75/91/579337591.db2.gz OLJAVYMREOQLIK-UHFFFAOYSA-N 1 2 341.458 0.859 20 30 ECEDLO COC[C@@H](C#N)OC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000750815504 579359119 /nfs/dbraw/zinc/35/91/19/579359119.db2.gz PLAVYEHBVXHREZ-CQSZACIVSA-N 1 2 346.387 0.592 20 30 ECEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000750826793 579359121 /nfs/dbraw/zinc/35/91/21/579359121.db2.gz DSDWEGKLURQEDX-OAHLLOKOSA-N 1 2 344.415 0.654 20 30 ECEDLO O=C1Nc2cc3c(cc2C1=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)OCCO3 ZINC000753938576 579409465 /nfs/dbraw/zinc/40/94/65/579409465.db2.gz KCHLBEIFPJQFFQ-GHMZBOCLSA-N 1 2 341.371 0.974 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(OC)ccc2C(=O)OC)CC1 ZINC000754307588 579416220 /nfs/dbraw/zinc/41/62/20/579416220.db2.gz NJQDDTFLGXGVPV-UHFFFAOYSA-N 1 2 345.399 0.671 20 30 ECEDLO N#Cc1cccn(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)c1=O ZINC000758197818 579468625 /nfs/dbraw/zinc/46/86/25/579468625.db2.gz KOYHPBJWEUMIQU-UHFFFAOYSA-N 1 2 344.400 0.880 20 30 ECEDLO COC(=O)C1=C(C)O[C@@H](CN(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000759851769 579499505 /nfs/dbraw/zinc/49/95/05/579499505.db2.gz CTRMYOZFUHGHCD-OAHLLOKOSA-N 1 2 337.420 0.770 20 30 ECEDLO COC(=O)C1=C(C)O[C@@H](C[N@H+](CCC#N)CCN2CCOCC2)C1 ZINC000759851769 579499506 /nfs/dbraw/zinc/49/95/06/579499506.db2.gz CTRMYOZFUHGHCD-OAHLLOKOSA-N 1 2 337.420 0.770 20 30 ECEDLO COC(=O)C1=C(C)O[C@@H](C[N@@H+](CCC#N)CCN2CCOCC2)C1 ZINC000759851769 579499507 /nfs/dbraw/zinc/49/95/07/579499507.db2.gz CTRMYOZFUHGHCD-OAHLLOKOSA-N 1 2 337.420 0.770 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCCS(=O)(=O)N(C)C)c1 ZINC000728688812 578290607 /nfs/dbraw/zinc/29/06/07/578290607.db2.gz YNETVYGGHCLLRA-UHFFFAOYSA-N 1 2 337.445 0.820 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCCS(=O)(=O)N(C)C)c1 ZINC000728688812 578290608 /nfs/dbraw/zinc/29/06/08/578290608.db2.gz YNETVYGGHCLLRA-UHFFFAOYSA-N 1 2 337.445 0.820 20 30 ECEDLO C[C@H](NC(=O)NCCNc1ncccc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000729603382 578297288 /nfs/dbraw/zinc/29/72/88/578297288.db2.gz GRRJPAUKKUKKCV-KBPBESRZSA-N 1 2 346.435 0.774 20 30 ECEDLO N#CCn1c(C[N@H+]2CCC[C@H](OCCO)C2)nc2ccccc2c1=O ZINC000734486039 578361208 /nfs/dbraw/zinc/36/12/08/578361208.db2.gz YRRXNQCFMIVLAN-AWEZNQCLSA-N 1 2 342.399 0.893 20 30 ECEDLO N#CCn1c(C[N@@H+]2CCC[C@H](OCCO)C2)nc2ccccc2c1=O ZINC000734486039 578361210 /nfs/dbraw/zinc/36/12/10/578361210.db2.gz YRRXNQCFMIVLAN-AWEZNQCLSA-N 1 2 342.399 0.893 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(S(=O)(=O)N(C)C)o2)C1=O ZINC000799176353 578660673 /nfs/dbraw/zinc/66/06/73/578660673.db2.gz OOPNJIJDDXLFOF-ZDUSSCGKSA-N 1 2 341.433 0.749 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(S(=O)(=O)N(C)C)o2)C1=O ZINC000799176353 578660674 /nfs/dbraw/zinc/66/06/74/578660674.db2.gz OOPNJIJDDXLFOF-ZDUSSCGKSA-N 1 2 341.433 0.749 20 30 ECEDLO COCC(=NNC(=S)NCC[NH+]1CCOCC1)C1CCOCC1 ZINC000780194039 578689735 /nfs/dbraw/zinc/68/97/35/578689735.db2.gz DRNUXMNYJMFIKT-UHFFFAOYSA-N 1 2 344.481 0.212 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000780917846 578702697 /nfs/dbraw/zinc/70/26/97/578702697.db2.gz VZGJTFDERKKMDA-KRWDZBQOSA-N 1 2 342.399 0.666 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cccc(F)c2C#N)[C@H](C)C1 ZINC000784708443 578755678 /nfs/dbraw/zinc/75/56/78/578755678.db2.gz FESJABYQGHTDIB-NEPJUHHUSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2cccc(F)c2C#N)[C@H](C)C1 ZINC000784708443 578755679 /nfs/dbraw/zinc/75/56/79/578755679.db2.gz FESJABYQGHTDIB-NEPJUHHUSA-N 1 2 341.408 0.773 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)NCc1ccc[nH+]c1N(C)C)[C@H]1CCCO1 ZINC000787632627 578811632 /nfs/dbraw/zinc/81/16/32/578811632.db2.gz DZGSAVBCEDFRGF-ZIAGYGMSSA-N 1 2 330.388 0.061 20 30 ECEDLO C=CCN(C(=O)C(=O)NCCCC[NH+]1CCN(CC)CC1)C(C)C ZINC000787907668 578820118 /nfs/dbraw/zinc/82/01/18/578820118.db2.gz CTKCFLDITZLGGX-UHFFFAOYSA-N 1 2 338.496 0.943 20 30 ECEDLO C=CCN(C(=O)C(=O)NCCCCN1CC[NH+](CC)CC1)C(C)C ZINC000787907668 578820119 /nfs/dbraw/zinc/82/01/19/578820119.db2.gz CTKCFLDITZLGGX-UHFFFAOYSA-N 1 2 338.496 0.943 20 30 ECEDLO Cc1ccc2nc(C=NNC(=S)NCC[NH+]3CCOCC3)cn2c1 ZINC000788952428 578846092 /nfs/dbraw/zinc/84/60/92/578846092.db2.gz UFMAMLXHCHDRFZ-UHFFFAOYSA-N 1 2 346.460 0.773 20 30 ECEDLO N#Cc1c(=O)n(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)cc2c1CCCC2 ZINC000793516419 578930548 /nfs/dbraw/zinc/93/05/48/578930548.db2.gz NQWMFXWZNUSUAE-SFHVURJKSA-N 1 2 326.400 0.768 20 30 ECEDLO N#Cc1c(=O)n(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)cc2c1CCCC2 ZINC000793516419 578930550 /nfs/dbraw/zinc/93/05/50/578930550.db2.gz NQWMFXWZNUSUAE-SFHVURJKSA-N 1 2 326.400 0.768 20 30 ECEDLO C#CCN1CCN(C(=O)C[NH+]2CC(c3nc4ccccc4[nH]3)C2)CC1 ZINC000766942617 579097926 /nfs/dbraw/zinc/09/79/26/579097926.db2.gz XOFONSLDTUTSSG-UHFFFAOYSA-N 1 2 337.427 0.740 20 30 ECEDLO N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CCN1C1CC1 ZINC000774240792 579243834 /nfs/dbraw/zinc/24/38/34/579243834.db2.gz HYQAEKXXWFKVCJ-CQSZACIVSA-N 1 2 338.371 0.472 20 30 ECEDLO COc1ccc(CNC(=O)C(=O)NCCCn2cc[nH+]c2)cc1C#N ZINC000774469371 579248639 /nfs/dbraw/zinc/24/86/39/579248639.db2.gz LOHQQDANXIXKGR-UHFFFAOYSA-N 1 2 341.371 0.586 20 30 ECEDLO N#Cc1ccc(NCCNC(=O)N[C@H]2CCn3cc[nH+]c3C2)nc1 ZINC000777450662 579298501 /nfs/dbraw/zinc/29/85/01/579298501.db2.gz VKQYYTLTSBTVHL-ZDUSSCGKSA-N 1 2 325.376 0.876 20 30 ECEDLO C#CCOc1ccc(NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000778809486 579311309 /nfs/dbraw/zinc/31/13/09/579311309.db2.gz ANVJUSFRPSXUPW-AWEZNQCLSA-N 1 2 338.367 0.965 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000761025915 579519602 /nfs/dbraw/zinc/51/96/02/579519602.db2.gz YBHVTPYGBBJWKH-UHFFFAOYSA-N 1 2 341.408 0.290 20 30 ECEDLO CC(=O)N[C@@H]1CCCN(C(=O)CO[NH+]=C(N)c2ccc(F)cc2)C1 ZINC000762664898 579545592 /nfs/dbraw/zinc/54/55/92/579545592.db2.gz NVJINMYNBGPPEK-CQSZACIVSA-N 1 2 336.367 0.590 20 30 ECEDLO N#Cc1c(NCC2([NH+]3CCOCC3)CC2)cccc1S(N)(=O)=O ZINC000764936234 579581214 /nfs/dbraw/zinc/58/12/14/579581214.db2.gz JYZDGVUTNSDERX-UHFFFAOYSA-N 1 2 336.417 0.482 20 30 ECEDLO C=CCNC(=O)NC(=O)CN1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000748048750 579856378 /nfs/dbraw/zinc/85/63/78/579856378.db2.gz SUTSEXXFJVZKRI-NSHDSACASA-N 1 2 325.438 0.107 20 30 ECEDLO CS(=O)(=O)Nc1cccc(C[NH+]2CCN(C(=O)CC#N)CC2)c1 ZINC000895066250 586159947 /nfs/dbraw/zinc/15/99/47/586159947.db2.gz QTTZJODBMOIKAA-UHFFFAOYSA-N 1 2 336.417 0.616 20 30 ECEDLO Cn1c(=O)c(C#N)c(N2CCC(Nc3cccc[nH+]3)CC2)n(C)c1=O ZINC000895348551 586177760 /nfs/dbraw/zinc/17/77/60/586177760.db2.gz ABAZOEUIGVTCGH-UHFFFAOYSA-N 1 2 340.387 0.432 20 30 ECEDLO Cc1cc(C#N)ccc1N1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000891562252 586178094 /nfs/dbraw/zinc/17/80/94/586178094.db2.gz RJKSNTWGUSRPSX-UHFFFAOYSA-N 1 2 328.416 0.848 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3n[nH]cc3c2)C1 ZINC000891606389 586181566 /nfs/dbraw/zinc/18/15/66/586181566.db2.gz LUJXLYHYFHGFAR-CQSZACIVSA-N 1 2 325.372 0.715 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3n[nH]cc3c2)C1 ZINC000891606389 586181567 /nfs/dbraw/zinc/18/15/67/586181567.db2.gz LUJXLYHYFHGFAR-CQSZACIVSA-N 1 2 325.372 0.715 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cnc(C3CC3)nc2)C1 ZINC000891606398 586181897 /nfs/dbraw/zinc/18/18/97/586181897.db2.gz MCEDWEUNTCGKTG-ZDUSSCGKSA-N 1 2 327.388 0.506 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cnc(C3CC3)nc2)C1 ZINC000891606398 586181900 /nfs/dbraw/zinc/18/19/00/586181900.db2.gz MCEDWEUNTCGKTG-ZDUSSCGKSA-N 1 2 327.388 0.506 20 30 ECEDLO C#CCNc1nc(N[C@H]2COC[C@@H]2C)[nH+]c(N[C@@H]2COC[C@@H]2C)n1 ZINC000895909374 586212346 /nfs/dbraw/zinc/21/23/46/586212346.db2.gz LNZMXAZZODTGQO-ZDEQEGDKSA-N 1 2 332.408 0.810 20 30 ECEDLO C#CCNc1nc(N[C@H]2COC[C@@H]2C)nc(N[C@@H]2COC[C@@H]2C)[nH+]1 ZINC000895909374 586212347 /nfs/dbraw/zinc/21/23/47/586212347.db2.gz LNZMXAZZODTGQO-ZDEQEGDKSA-N 1 2 332.408 0.810 20 30 ECEDLO C#CCNc1nc(N[C@@H]2COC[C@@H]2C)nc(N[C@H]2COC[C@@H]2C)[nH+]1 ZINC000895909374 586212349 /nfs/dbraw/zinc/21/23/49/586212349.db2.gz LNZMXAZZODTGQO-ZDEQEGDKSA-N 1 2 332.408 0.810 20 30 ECEDLO C#CCNS(=O)(=O)N1CCN(Cc2c[nH+]c3c(C)cccn23)CC1 ZINC000895916266 586212885 /nfs/dbraw/zinc/21/28/85/586212885.db2.gz XVFNZXBEKFZXRM-UHFFFAOYSA-N 1 2 347.444 0.228 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1 ZINC000895919694 586213137 /nfs/dbraw/zinc/21/31/37/586213137.db2.gz BJEHVIKCXYQPBI-UHFFFAOYSA-N 1 2 348.428 0.152 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)C1 ZINC000889352989 586253962 /nfs/dbraw/zinc/25/39/62/586253962.db2.gz PVTRUDXIVGAJEP-MELADBBJSA-N 1 2 327.450 0.349 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)C1 ZINC000889352989 586253964 /nfs/dbraw/zinc/25/39/64/586253964.db2.gz PVTRUDXIVGAJEP-MELADBBJSA-N 1 2 327.450 0.349 20 30 ECEDLO Cn1cc[nH+]c1CN1CCN(C(=O)NCc2nc(C#N)cs2)CC1 ZINC000897296241 586295263 /nfs/dbraw/zinc/29/52/63/586295263.db2.gz CXWZEXOBASNIRZ-UHFFFAOYSA-N 1 2 345.432 0.776 20 30 ECEDLO COC(=O)[C@]1(C)C[C@H](OC(=O)c2cnn(CCC#N)c2C)C[N@@H+]1C ZINC000893577128 586341514 /nfs/dbraw/zinc/34/15/14/586341514.db2.gz ASPBZBADSNLVRQ-LRDDRELGSA-N 1 2 334.376 0.898 20 30 ECEDLO COC(=O)[C@]1(C)C[C@H](OC(=O)c2cnn(CCC#N)c2C)C[N@H+]1C ZINC000893577128 586341517 /nfs/dbraw/zinc/34/15/17/586341517.db2.gz ASPBZBADSNLVRQ-LRDDRELGSA-N 1 2 334.376 0.898 20 30 ECEDLO CCc1nc(C#N)cc(N2CC[NH+](C[C@H]3CCCS3(=O)=O)CC2)n1 ZINC000894753479 586409329 /nfs/dbraw/zinc/40/93/29/586409329.db2.gz IUGLIAABWKTBKZ-CQSZACIVSA-N 1 2 349.460 0.610 20 30 ECEDLO COCC[NH+](CCOC)C1CN(C(=O)c2ccc(C#N)c(O)c2)C1 ZINC000898252817 586410409 /nfs/dbraw/zinc/41/04/09/586410409.db2.gz OQLAIIXFVACFPX-UHFFFAOYSA-N 1 2 333.388 0.683 20 30 ECEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000843241785 589054805 /nfs/dbraw/zinc/05/48/05/589054805.db2.gz GMBZENLFUHKKOX-IAGOWNOFSA-N 1 2 347.459 0.572 20 30 ECEDLO C#CC[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000843250156 589056202 /nfs/dbraw/zinc/05/62/02/589056202.db2.gz FCSQAEYLTBUIRA-LSDHHAIUSA-N 1 2 328.416 0.998 20 30 ECEDLO Cn1cc(C[NH+]2CCN(C(=O)c3cccc(C#CCO)c3)CC2)cn1 ZINC000900599496 586646004 /nfs/dbraw/zinc/64/60/04/586646004.db2.gz PYDZTFKCXXZQSU-UHFFFAOYSA-N 1 2 338.411 0.722 20 30 ECEDLO C#CC[NH+]1CCC(NC(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)CC1 ZINC000900667993 586653199 /nfs/dbraw/zinc/65/31/99/586653199.db2.gz VNQPMZQYMVFACH-UHFFFAOYSA-N 1 2 326.356 0.857 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(C)cc(C(=O)OC)c2)CC1 ZINC000901435805 586709505 /nfs/dbraw/zinc/70/95/05/586709505.db2.gz SYUXWFMRNFGQEF-UHFFFAOYSA-N 1 2 329.400 0.971 20 30 ECEDLO C#CCn1ccc(C[N@@H+](CC)Cc2c(CO)[nH]cc(OC)c2=O)n1 ZINC000902242428 586727909 /nfs/dbraw/zinc/72/79/09/586727909.db2.gz DEIKKXWRSBRUFH-UHFFFAOYSA-N 1 2 330.388 0.728 20 30 ECEDLO C#CCn1ccc(C[N@H+](CC)Cc2c(CO)[nH]cc(OC)c2=O)n1 ZINC000902242428 586727910 /nfs/dbraw/zinc/72/79/10/586727910.db2.gz DEIKKXWRSBRUFH-UHFFFAOYSA-N 1 2 330.388 0.728 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000907580104 586739986 /nfs/dbraw/zinc/73/99/86/586739986.db2.gz BTQZPHPDUIQQLG-FUHWJXTLSA-N 1 2 342.399 0.969 20 30 ECEDLO CC(C)CN1C(=O)C(=O)N(C[NH+]2CCC3(CC2)CC(=O)C=CO3)C1=O ZINC000902600117 586746815 /nfs/dbraw/zinc/74/68/15/586746815.db2.gz CJXVTWDGRDFBQK-UHFFFAOYSA-N 1 2 349.387 0.728 20 30 ECEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000805474301 586910407 /nfs/dbraw/zinc/91/04/07/586910407.db2.gz PPTJIKCIXLIIMS-CYBMUJFWSA-N 1 2 335.360 0.971 20 30 ECEDLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000805474301 586910408 /nfs/dbraw/zinc/91/04/08/586910408.db2.gz PPTJIKCIXLIIMS-CYBMUJFWSA-N 1 2 335.360 0.971 20 30 ECEDLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000805479863 586911511 /nfs/dbraw/zinc/91/15/11/586911511.db2.gz VZVXFGFIMVONCA-HZPDHXFCSA-N 1 2 343.383 0.927 20 30 ECEDLO CC[N@H+]1CCO[C@@H](C(=O)O[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000805479863 586911514 /nfs/dbraw/zinc/91/15/14/586911514.db2.gz VZVXFGFIMVONCA-HZPDHXFCSA-N 1 2 343.383 0.927 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000906277301 586938148 /nfs/dbraw/zinc/93/81/48/586938148.db2.gz HWIMVMKCVMPRCU-HOTGVXAUSA-N 1 2 345.447 0.696 20 30 ECEDLO Cc1cc(C#N)cc(C)c1CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000906930056 586995096 /nfs/dbraw/zinc/99/50/96/586995096.db2.gz VTQICQYJZYUDOT-KRWDZBQOSA-N 1 2 345.443 0.869 20 30 ECEDLO Cn1cc[nH+]c1CN1CCN(S(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000906920628 586998239 /nfs/dbraw/zinc/99/82/39/586998239.db2.gz QKYHEMQFECQKRC-UHFFFAOYSA-N 1 2 346.416 0.193 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3cccn3C)n2CCOC)CC1 ZINC000802342997 587016959 /nfs/dbraw/zinc/01/69/59/587016959.db2.gz PXCCXPZRWVVDHX-UHFFFAOYSA-N 1 2 328.420 0.685 20 30 ECEDLO C=CCN1CCN(C[NH+]2CCC(NS(=O)(=O)CCC)CC2)C1=O ZINC000839964236 587017277 /nfs/dbraw/zinc/01/72/77/587017277.db2.gz PMSAWHVXENPCIA-UHFFFAOYSA-N 1 2 344.481 0.661 20 30 ECEDLO CN(C)c1ncc(C=[NH+]NC(=S)NCCc2ccccn2)n1C ZINC000811640798 587222703 /nfs/dbraw/zinc/22/27/03/587222703.db2.gz AIKKKZPBYYHEPI-UHFFFAOYSA-N 1 2 331.449 0.922 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(S(=O)(=O)NC)ccc1O ZINC000812362779 587236268 /nfs/dbraw/zinc/23/62/68/587236268.db2.gz JSULYONBWVVTBX-ZDUSSCGKSA-N 1 2 337.401 0.336 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(S(=O)(=O)NC)ccc1O ZINC000812362779 587236269 /nfs/dbraw/zinc/23/62/69/587236269.db2.gz JSULYONBWVVTBX-ZDUSSCGKSA-N 1 2 337.401 0.336 20 30 ECEDLO Cn1ncc2c1nc(N=NC1CC[NH+](CC(C)(C)O)CC1)[nH]c2=O ZINC000814222756 587271717 /nfs/dbraw/zinc/27/17/17/587271717.db2.gz FIRWUSQCUYBOPP-UHFFFAOYSA-N 1 2 333.396 0.704 20 30 ECEDLO Cc1cccc2c1OCC2=NNC(=S)NCC[NH+]1CCOCC1 ZINC000814716309 587278896 /nfs/dbraw/zinc/27/88/96/587278896.db2.gz HQYYWJKKKXIKKF-UHFFFAOYSA-N 1 2 334.445 0.888 20 30 ECEDLO C#CCN(CC(=O)N(C)CC[NH+]1CCOCC1)C(=O)OC(C)(C)C ZINC000825537561 587949061 /nfs/dbraw/zinc/94/90/61/587949061.db2.gz YKZCQSABDSXGOS-UHFFFAOYSA-N 1 2 339.436 0.647 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000825904866 587971215 /nfs/dbraw/zinc/97/12/15/587971215.db2.gz HILHSYRZZAPDJP-DLBZAZTESA-N 1 2 346.427 0.609 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](C)[C@H]2CCCO2)CC1 ZINC000826550811 588069512 /nfs/dbraw/zinc/06/95/12/588069512.db2.gz WLZPEHMFNKHDJJ-HZPDHXFCSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](C)[C@H]2CCCO2)CC1 ZINC000826550811 588069514 /nfs/dbraw/zinc/06/95/14/588069514.db2.gz WLZPEHMFNKHDJJ-HZPDHXFCSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccncc2Cl)CC1 ZINC000826550704 588069525 /nfs/dbraw/zinc/06/95/25/588069525.db2.gz VSPRAQHSVJDZBJ-UHFFFAOYSA-N 1 2 348.834 0.561 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccncc2Cl)CC1 ZINC000826550704 588069527 /nfs/dbraw/zinc/06/95/27/588069527.db2.gz VSPRAQHSVJDZBJ-UHFFFAOYSA-N 1 2 348.834 0.561 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)C[C@@H](OC)C2CCOCC2)CC1 ZINC000827037961 588096705 /nfs/dbraw/zinc/09/67/05/588096705.db2.gz QIMNLPDCMCZBEH-MRXNPFEDSA-N 1 2 344.477 0.399 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CC[C@@H](c3ccccc3)NC2=O)CC1 ZINC000827518555 588125042 /nfs/dbraw/zinc/12/50/42/588125042.db2.gz ABBXBTRYJPPHEG-KRWDZBQOSA-N 1 2 340.427 0.920 20 30 ECEDLO N#CCc1cccc(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)n1 ZINC000829449561 588325296 /nfs/dbraw/zinc/32/52/96/588325296.db2.gz CMKQYYRJUOLTQA-CABCVRRESA-N 1 2 330.388 0.966 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccn(C(C)(C)C)n2)CC1 ZINC000847445588 589247137 /nfs/dbraw/zinc/24/71/37/589247137.db2.gz CAKVEQLSUROSGG-UHFFFAOYSA-N 1 2 345.447 0.535 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccn(C(C)(C)C)n2)CC1 ZINC000847445588 589247138 /nfs/dbraw/zinc/24/71/38/589247138.db2.gz CAKVEQLSUROSGG-UHFFFAOYSA-N 1 2 345.447 0.535 20 30 ECEDLO C#CCOCC[NH+]1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000851724626 589418306 /nfs/dbraw/zinc/41/83/06/589418306.db2.gz BXUMTNMILLGNQZ-UHFFFAOYSA-N 1 2 343.493 0.763 20 30 ECEDLO C#CCN(CC(=O)NCC[NH+]1CCOCC1)C(=O)OC(C)(C)C ZINC000854169362 589574094 /nfs/dbraw/zinc/57/40/94/589574094.db2.gz OKHZSGAYKDZDSI-UHFFFAOYSA-N 1 2 325.409 0.305 20 30 ECEDLO C#CC[C@@H](CO)NC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000854541731 589591880 /nfs/dbraw/zinc/59/18/80/589591880.db2.gz KJKVQBQGFQBDGA-JJRVBVJISA-N 1 2 346.431 0.610 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2Cc3ccccc3NC(=O)[C@@H]2C)CC1 ZINC000857922437 589717191 /nfs/dbraw/zinc/71/71/91/589717191.db2.gz JYEPNUGGAPCLEX-HNNXBMFYSA-N 1 2 340.427 0.607 20 30 ECEDLO C#CCCCOc1ccc[nH+]c1NC[C@@]12COCCN1C(=O)COC2 ZINC000866189581 589728028 /nfs/dbraw/zinc/72/80/28/589728028.db2.gz ONHKCCNONGKGON-SFHVURJKSA-N 1 2 345.399 0.914 20 30 ECEDLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1 ZINC000117106641 589734294 /nfs/dbraw/zinc/73/42/94/589734294.db2.gz LFJCUVQZHLEEEY-UHFFFAOYSA-N 1 2 341.408 0.775 20 30 ECEDLO C#CCSCCNC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000858242150 589734584 /nfs/dbraw/zinc/73/45/84/589734584.db2.gz FHSVBSFNBJUOSG-INIZCTEOSA-N 1 2 348.472 0.948 20 30 ECEDLO C#CCSCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000858242150 589734588 /nfs/dbraw/zinc/73/45/88/589734588.db2.gz FHSVBSFNBJUOSG-INIZCTEOSA-N 1 2 348.472 0.948 20 30 ECEDLO COc1cc(C#N)ccc1OS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000866402964 589738798 /nfs/dbraw/zinc/73/87/98/589738798.db2.gz FTUDJWGJNNJFKM-GFCCVEGCSA-N 1 2 326.374 0.606 20 30 ECEDLO COc1cc(C#N)ccc1OS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000866402964 589738799 /nfs/dbraw/zinc/73/87/99/589738799.db2.gz FTUDJWGJNNJFKM-GFCCVEGCSA-N 1 2 326.374 0.606 20 30 ECEDLO C[C@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1cccc(C#N)c1O ZINC000866555663 589750984 /nfs/dbraw/zinc/75/09/84/589750984.db2.gz TWXVIKRXRJXSAO-YVEFUNNKSA-N 1 2 331.372 0.542 20 30 ECEDLO C#Cc1cccc(NC(=O)CNC(=O)NC[C@@H]2COCC[N@H+]2C)c1 ZINC000858843592 589778204 /nfs/dbraw/zinc/77/82/04/589778204.db2.gz LMBCIRVAWJUHBZ-OAHLLOKOSA-N 1 2 330.388 0.236 20 30 ECEDLO C#Cc1cccc(NC(=O)CNC(=O)NC[C@@H]2COCC[N@@H+]2C)c1 ZINC000858843592 589778206 /nfs/dbraw/zinc/77/82/06/589778206.db2.gz LMBCIRVAWJUHBZ-OAHLLOKOSA-N 1 2 330.388 0.236 20 30 ECEDLO C#C[C@H](NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C)C(C)(C)C ZINC000861734011 589883092 /nfs/dbraw/zinc/88/30/92/589883092.db2.gz ASHINVBFEZZNSW-QEJZJMRPSA-N 1 2 346.431 0.873 20 30 ECEDLO COc1cccc([C@@H]2CN(C(=O)[C@H](C)n3cnc(C#N)n3)CC[NH2+]2)c1 ZINC000870153484 590003735 /nfs/dbraw/zinc/00/37/35/590003735.db2.gz QOKKVBPCGHDORF-WFASDCNBSA-N 1 2 340.387 0.892 20 30 ECEDLO CCn1ncc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)n1 ZINC000863340162 590006249 /nfs/dbraw/zinc/00/62/49/590006249.db2.gz IWMABZZXPIXKTH-UHFFFAOYSA-N 1 2 328.376 0.212 20 30 ECEDLO C#CCN1C(=O)C[C@H]([N@@H+]2CCc3ccc(NC(C)=O)cc3C2)C1=O ZINC000871600800 590082845 /nfs/dbraw/zinc/08/28/45/590082845.db2.gz DTAJAGPLXRHSRG-INIZCTEOSA-N 1 2 325.368 0.764 20 30 ECEDLO C#CCN1C(=O)C[C@H]([N@H+]2CCc3ccc(NC(C)=O)cc3C2)C1=O ZINC000871600800 590082846 /nfs/dbraw/zinc/08/28/46/590082846.db2.gz DTAJAGPLXRHSRG-INIZCTEOSA-N 1 2 325.368 0.764 20 30 ECEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCNC(=O)CC23CCOCC3)cc1 ZINC000872287429 590110747 /nfs/dbraw/zinc/11/07/47/590110747.db2.gz YZKPCQZJQPENJC-UHFFFAOYSA-N 1 2 342.399 0.868 20 30 ECEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCNC(=O)CC23CCOCC3)cc1 ZINC000872287429 590110749 /nfs/dbraw/zinc/11/07/49/590110749.db2.gz YZKPCQZJQPENJC-UHFFFAOYSA-N 1 2 342.399 0.868 20 30 ECEDLO CS(=O)(=O)NN=Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872358471 590115082 /nfs/dbraw/zinc/11/50/82/590115082.db2.gz FDZMQYULGAYPRO-UHFFFAOYSA-N 1 2 327.406 0.281 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2ccc(Br)cc2=O)CC1 ZINC000865795448 590157713 /nfs/dbraw/zinc/15/77/13/590157713.db2.gz PBRIGIPGTOHCFG-UHFFFAOYSA-N 1 2 338.205 0.388 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cn1ncc2cccnc21 ZINC000874258669 590228698 /nfs/dbraw/zinc/22/86/98/590228698.db2.gz RNLAGMAVSSQJNQ-UHFFFAOYSA-N 1 2 342.403 0.506 20 30 ECEDLO C#CCNC(=O)CN1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC000874342651 590232877 /nfs/dbraw/zinc/23/28/77/590232877.db2.gz DZAUFRMGFALFAW-INIZCTEOSA-N 1 2 345.447 0.364 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2ccncc2NC(=O)C(F)(F)F)CC1 ZINC000874469018 590243034 /nfs/dbraw/zinc/24/30/34/590243034.db2.gz YLSRJLFKPZQXSA-UHFFFAOYSA-N 1 2 340.305 0.973 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000875599722 590312998 /nfs/dbraw/zinc/31/29/98/590312998.db2.gz LTCWHNXSICVEFW-LSDHHAIUSA-N 1 2 332.404 0.591 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000875600994 590313622 /nfs/dbraw/zinc/31/36/22/590313622.db2.gz GAPDSYMQZKZNQZ-HOCLYGCPSA-N 1 2 329.400 0.444 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000875600994 590313624 /nfs/dbraw/zinc/31/36/24/590313624.db2.gz GAPDSYMQZKZNQZ-HOCLYGCPSA-N 1 2 329.400 0.444 20 30 ECEDLO C[C@@H]1CN(C(=O)C[NH+]2CCN(c3ccc(C#N)cc3)CC2)CCO1 ZINC000879585154 590326042 /nfs/dbraw/zinc/32/60/42/590326042.db2.gz SYMDECJXETVHBR-OAHLLOKOSA-N 1 2 328.416 0.928 20 30 ECEDLO C[C@@H](NC(=O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1)C(=O)N(C)C ZINC000879586037 590326331 /nfs/dbraw/zinc/32/63/31/590326331.db2.gz WJGKQCCEEVGFJC-CQSZACIVSA-N 1 2 343.431 0.273 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCc2cc(C(=O)OC)ccc2C1 ZINC000880349868 590385189 /nfs/dbraw/zinc/38/51/89/590385189.db2.gz PRYJLMSDZWPEQX-UHFFFAOYSA-N 1 2 331.372 0.843 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCc2cc(C(=O)OC)ccc2C1 ZINC000880349868 590385192 /nfs/dbraw/zinc/38/51/92/590385192.db2.gz PRYJLMSDZWPEQX-UHFFFAOYSA-N 1 2 331.372 0.843 20 30 ECEDLO CO[C@H]1COCC[C@@H]1[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000880437255 590393011 /nfs/dbraw/zinc/39/30/11/590393011.db2.gz IKYBGOTXTDIRDM-KBPBESRZSA-N 1 2 339.417 0.463 20 30 ECEDLO CO[C@H]1COCC[C@@H]1[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000880437255 590393013 /nfs/dbraw/zinc/39/30/13/590393013.db2.gz IKYBGOTXTDIRDM-KBPBESRZSA-N 1 2 339.417 0.463 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](Cc2cn(C[C@H]3CCCO3)nn2)CC1 ZINC000876634664 590393909 /nfs/dbraw/zinc/39/39/09/590393909.db2.gz XZUSSOTUIKQKMI-MRXNPFEDSA-N 1 2 331.420 0.419 20 30 ECEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(S(=O)(=O)N(C)C)o2)nn1 ZINC000881226912 590441020 /nfs/dbraw/zinc/44/10/20/590441020.db2.gz BIYUTNUNIYINTM-UHFFFAOYSA-N 1 2 337.405 0.283 20 30 ECEDLO CCOC(=O)C1CC[NH+](Cc2cn(CCO[C@@H](C)C#N)nn2)CC1 ZINC000881323796 590446838 /nfs/dbraw/zinc/44/68/38/590446838.db2.gz PZEQZUXSVAOJMT-ZDUSSCGKSA-N 1 2 335.408 0.982 20 30 ECEDLO COc1ccc(C(=O)NC(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000878773695 590541414 /nfs/dbraw/zinc/54/14/14/590541414.db2.gz IWAJFERIRZXWCZ-OKILXGFUSA-N 1 2 344.415 0.870 20 30 ECEDLO COc1ccc(C(=O)NC(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000878773695 590541415 /nfs/dbraw/zinc/54/14/15/590541415.db2.gz IWAJFERIRZXWCZ-OKILXGFUSA-N 1 2 344.415 0.870 20 30 ECEDLO C=C(C)C[C@H](CO)NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000883183075 590608577 /nfs/dbraw/zinc/60/85/77/590608577.db2.gz RBLJUZPGIDTRFE-ZBFHGGJFSA-N 1 2 343.493 0.821 20 30 ECEDLO C#CCC1(NS(=O)(=O)CCC[NH+]2CCOCC2)CCOCC1 ZINC000885841033 590771680 /nfs/dbraw/zinc/77/16/80/590771680.db2.gz WREUFTYXSDZKFT-UHFFFAOYSA-N 1 2 330.450 0.201 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CCCCS2(=O)=O)C1 ZINC000884262829 590791420 /nfs/dbraw/zinc/79/14/20/590791420.db2.gz VDXGQSYUGHVFIB-UONOGXRCSA-N 1 2 327.450 0.351 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCCCS2(=O)=O)C1 ZINC000884262829 590791424 /nfs/dbraw/zinc/79/14/24/590791424.db2.gz VDXGQSYUGHVFIB-UONOGXRCSA-N 1 2 327.450 0.351 20 30 ECEDLO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCC2)[C@@H](C(=O)OC)C1 ZINC000886120307 590797365 /nfs/dbraw/zinc/79/73/65/590797365.db2.gz AXXGGDUYOZJAET-MGPQQGTHSA-N 1 2 338.404 0.858 20 30 ECEDLO COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CCC2)[C@@H](C(=O)OC)C1 ZINC000886120307 590797369 /nfs/dbraw/zinc/79/73/69/590797369.db2.gz AXXGGDUYOZJAET-MGPQQGTHSA-N 1 2 338.404 0.858 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000884330730 590807717 /nfs/dbraw/zinc/80/77/17/590807717.db2.gz VNYYDFGUBWGDFZ-QWRGUYRKSA-N 1 2 337.342 0.528 20 30 ECEDLO N#C[C@]12CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@H]1CS(=O)(=O)C2 ZINC000886210524 590815421 /nfs/dbraw/zinc/81/54/21/590815421.db2.gz VENUNOIBMKVCIY-MLGOLLRUSA-N 1 2 348.428 0.159 20 30 ECEDLO C=C[C@@H](O)C(=O)N[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2cc[nH+]c21 ZINC000887299769 590958108 /nfs/dbraw/zinc/95/81/08/590958108.db2.gz HJHBPFZIZFJIOV-VXGBXAGGSA-N 1 2 348.403 0.937 20 30 ECEDLO Cc1ccc(CNC(=O)C(=O)NCCc2cn(C)c[nH+]2)cc1C#N ZINC000930809220 611466626 /nfs/dbraw/zinc/46/66/26/611466626.db2.gz JECGGLJXLXEHET-UHFFFAOYSA-N 1 2 325.372 0.575 20 30 ECEDLO C=C[C@](C)(CCOC)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000187845454 611505850 /nfs/dbraw/zinc/50/58/50/611505850.db2.gz TWAYREYUXKXGNA-MRXNPFEDSA-N 1 2 346.493 0.840 20 30 ECEDLO C#CC1(O)CC[NH+](CC(=O)N[C@H](Cc2ccccc2)C(C)=O)CC1 ZINC000931142438 611510782 /nfs/dbraw/zinc/51/07/82/611510782.db2.gz CEYPXZPRWDIACR-QGZVFWFLSA-N 1 2 328.412 0.763 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C3CC3)nn2C)CC1 ZINC000932039763 611594895 /nfs/dbraw/zinc/59/48/95/611594895.db2.gz VWJKXXFZSNKDMS-UHFFFAOYSA-N 1 2 343.431 0.195 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C3CC3)nn2C)CC1 ZINC000932039763 611594897 /nfs/dbraw/zinc/59/48/97/611594897.db2.gz VWJKXXFZSNKDMS-UHFFFAOYSA-N 1 2 343.431 0.195 20 30 ECEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000948459366 611606045 /nfs/dbraw/zinc/60/60/45/611606045.db2.gz BLCOUXWWLXFPIW-BXUZGUMPSA-N 1 2 326.360 0.360 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCc4cncn4C3)CC2)C1 ZINC000949401982 608669323 /nfs/dbraw/zinc/66/93/23/608669323.db2.gz RWDIFDURSVYHHU-MRXNPFEDSA-N 1 2 342.443 0.772 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCc4cncn4C3)CC2)C1 ZINC000949401982 608669327 /nfs/dbraw/zinc/66/93/27/608669327.db2.gz RWDIFDURSVYHHU-MRXNPFEDSA-N 1 2 342.443 0.772 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)OC(C)(C)C)C1 ZINC000932695627 611657183 /nfs/dbraw/zinc/65/71/83/611657183.db2.gz PCBMHCDZKCLPJN-INIZCTEOSA-N 1 2 325.409 0.087 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)OC(C)(C)C)C1 ZINC000932695627 611657185 /nfs/dbraw/zinc/65/71/85/611657185.db2.gz PCBMHCDZKCLPJN-INIZCTEOSA-N 1 2 325.409 0.087 20 30 ECEDLO N#Cc1cncc(COC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c1 ZINC000923774574 608915730 /nfs/dbraw/zinc/91/57/30/608915730.db2.gz TVQKROCCGXUOMV-CVEARBPZSA-N 1 2 331.372 0.876 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1nncn1C ZINC000947204384 608917343 /nfs/dbraw/zinc/91/73/43/608917343.db2.gz CTULILLJHZBDQK-WCQYABFASA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1nncn1C ZINC000947204384 608917344 /nfs/dbraw/zinc/91/73/44/608917344.db2.gz CTULILLJHZBDQK-WCQYABFASA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1CCS(C)(=O)=O ZINC000947204927 608918642 /nfs/dbraw/zinc/91/86/42/608918642.db2.gz JIRXCMYFTSVJKX-YPMHNXCESA-N 1 2 338.433 0.514 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1CCS(C)(=O)=O ZINC000947204927 608918643 /nfs/dbraw/zinc/91/86/43/608918643.db2.gz JIRXCMYFTSVJKX-YPMHNXCESA-N 1 2 338.433 0.514 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000947216125 608940312 /nfs/dbraw/zinc/94/03/12/608940312.db2.gz CZOVIUQHNRBOTI-MNOVXSKESA-N 1 2 343.391 0.091 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000947216125 608940314 /nfs/dbraw/zinc/94/03/14/608940314.db2.gz CZOVIUQHNRBOTI-MNOVXSKESA-N 1 2 343.391 0.091 20 30 ECEDLO Cn1ncc(C[NH+]2CCC3(CC2)CN(C(=O)C#CC2CC2)CCO3)n1 ZINC000949092425 609015218 /nfs/dbraw/zinc/01/52/18/609015218.db2.gz ZNYAYLAEQLDXML-UHFFFAOYSA-N 1 2 343.431 0.422 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000936331438 609079204 /nfs/dbraw/zinc/07/92/04/609079204.db2.gz HUHHMCNYOUBBHO-MRXNPFEDSA-N 1 2 336.395 0.893 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000928453898 611690103 /nfs/dbraw/zinc/69/01/03/611690103.db2.gz JJRKDKSUHGAIPX-DOMZBBRYSA-N 1 2 335.429 0.682 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC000928453898 611690107 /nfs/dbraw/zinc/69/01/07/611690107.db2.gz JJRKDKSUHGAIPX-DOMZBBRYSA-N 1 2 335.429 0.682 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000938172962 609487059 /nfs/dbraw/zinc/48/70/59/609487059.db2.gz LODOIVQGHCUBBN-CABCVRRESA-N 1 2 326.400 0.576 20 30 ECEDLO COCC(COC)[NH+]1CCN(C(=O)c2cccc(C#CCO)c2)CC1 ZINC000910403371 609718634 /nfs/dbraw/zinc/71/86/34/609718634.db2.gz OQFQZCPVOMIKBA-UHFFFAOYSA-N 1 2 346.427 0.450 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)cn1 ZINC000938387030 609768757 /nfs/dbraw/zinc/76/87/57/609768757.db2.gz GSAVHVPZZMQHLW-HNNXBMFYSA-N 1 2 337.383 0.668 20 30 ECEDLO C[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H](C)N1CC#N ZINC000913876810 609830033 /nfs/dbraw/zinc/83/00/33/609830033.db2.gz MOMILLPLHSHDOF-GASCZTMLSA-N 1 2 337.468 0.725 20 30 ECEDLO CC[C@@H]1CN(S(=O)(=O)CC(C)(C)C#N)C[C@@H]1[NH+]1CCOCC1 ZINC000914266329 609870950 /nfs/dbraw/zinc/87/09/50/609870950.db2.gz QYTKFJXDXYVSNP-KGLIPLIRSA-N 1 2 329.466 0.909 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(OCC)nc3)CC2)C1 ZINC000941428214 610301746 /nfs/dbraw/zinc/30/17/46/610301746.db2.gz MUTHFVMBAIWTAU-UHFFFAOYSA-N 1 2 328.416 0.556 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000941444878 610309561 /nfs/dbraw/zinc/30/95/61/610309561.db2.gz DNAMDTVYMWTRPS-UONOGXRCSA-N 1 2 329.404 0.666 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc4c([nH]3)CCOC4)CC2)C1 ZINC000941432760 610312758 /nfs/dbraw/zinc/31/27/58/610312758.db2.gz FTOFFYJGYIYFJQ-UHFFFAOYSA-N 1 2 342.443 0.553 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c(C4CC4)cnn3C)CC2)C1 ZINC000941433241 610313075 /nfs/dbraw/zinc/31/30/75/610313075.db2.gz SOJWGPFWXIHENU-UHFFFAOYSA-N 1 2 327.432 0.373 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cn(C)nc3C(F)F)CC2)C1 ZINC000941438343 610315589 /nfs/dbraw/zinc/31/55/89/610315589.db2.gz QSIINCNZNYPDHM-UHFFFAOYSA-N 1 2 337.374 0.433 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3c(CC)noc3CC)CC2)C1 ZINC000941440153 610316387 /nfs/dbraw/zinc/31/63/87/610316387.db2.gz ANYQWDJXIMIWLS-UHFFFAOYSA-N 1 2 344.459 0.804 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc4[nH]nc(C)c4c3)CC2)C1 ZINC000941484153 610337221 /nfs/dbraw/zinc/33/72/21/610337221.db2.gz OPVNBDOSOZRLNH-UHFFFAOYSA-N 1 2 337.427 0.947 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCN(C2C[NH+]([C@@H]3CCCN(C)C3=O)C2)CC1 ZINC000941516448 610353816 /nfs/dbraw/zinc/35/38/16/610353816.db2.gz SKTSSWZPNNHLEI-MRXNPFEDSA-N 1 2 348.491 0.648 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000940812507 610385973 /nfs/dbraw/zinc/38/59/73/610385973.db2.gz JHTZTYWDEXFSRC-UHFFFAOYSA-N 1 2 340.387 0.537 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ncn(C(C)(C)C)n3)CC2)C1 ZINC000941567020 610387006 /nfs/dbraw/zinc/38/70/06/610387006.db2.gz OSIUUZLJDJVFMB-UHFFFAOYSA-N 1 2 344.463 0.498 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(C4CC4)n[nH]3)CC2)C1 ZINC000941580065 610392338 /nfs/dbraw/zinc/39/23/38/610392338.db2.gz OEASHQAIFXFIKJ-UHFFFAOYSA-N 1 2 327.432 0.752 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc4c(c3)CCN4C)CC2)C1 ZINC000941630256 610417452 /nfs/dbraw/zinc/41/74/52/610417452.db2.gz KUWXRIXRFYSJHE-UHFFFAOYSA-N 1 2 338.455 0.754 20 30 ECEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000940872938 610421056 /nfs/dbraw/zinc/42/10/56/610421056.db2.gz HHFDKEPXCKEGKZ-KBPBESRZSA-N 1 2 326.462 0.661 20 30 ECEDLO CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000940872938 610421058 /nfs/dbraw/zinc/42/10/58/610421058.db2.gz HHFDKEPXCKEGKZ-KBPBESRZSA-N 1 2 326.462 0.661 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1 ZINC000942370733 610419591 /nfs/dbraw/zinc/41/95/91/610419591.db2.gz SDGROJNGLKOKFU-BZUAXINKSA-N 1 2 349.394 0.920 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1 ZINC000942370733 610419594 /nfs/dbraw/zinc/41/95/94/610419594.db2.gz SDGROJNGLKOKFU-BZUAXINKSA-N 1 2 349.394 0.920 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ncccc3OCC=C)CC2)C1 ZINC000941635839 610421218 /nfs/dbraw/zinc/42/12/18/610421218.db2.gz ZSTYFPZZOSPMOS-UHFFFAOYSA-N 1 2 340.427 0.722 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnn4c3C[C@H](C)CC4)CC2)C1 ZINC000941654245 610429367 /nfs/dbraw/zinc/42/93/67/610429367.db2.gz FAKUJNFOCNTRGC-OAHLLOKOSA-N 1 2 341.459 0.541 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3Cc4cccc(C)c4O3)CC2)C1 ZINC000941700920 610469648 /nfs/dbraw/zinc/46/96/48/610469648.db2.gz VZQGGKGKIFWPAK-GOSISDBHSA-N 1 2 339.439 0.760 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCC2CC2)C[C@H]1OC ZINC000942513162 610492474 /nfs/dbraw/zinc/49/24/74/610492474.db2.gz FYAUAXMAYMWBSW-IXDOHACOSA-N 1 2 347.459 0.616 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCC2CC2)C[C@H]1OC ZINC000942513162 610492476 /nfs/dbraw/zinc/49/24/76/610492476.db2.gz FYAUAXMAYMWBSW-IXDOHACOSA-N 1 2 347.459 0.616 20 30 ECEDLO C[C@H]1C[N@H+](Cc2cnn(C)n2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941965573 610587458 /nfs/dbraw/zinc/58/74/58/610587458.db2.gz ZBXVURYJODYLML-NHYWBVRUSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@H]1C[N@@H+](Cc2cnn(C)n2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941965573 610587460 /nfs/dbraw/zinc/58/74/60/610587460.db2.gz ZBXVURYJODYLML-NHYWBVRUSA-N 1 2 327.392 0.655 20 30 ECEDLO Cc1nc(CC[NH+]2CC(N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)cs1 ZINC000941348353 610684919 /nfs/dbraw/zinc/68/49/19/610684919.db2.gz MEYYMLMRZCAZTH-ZDUSSCGKSA-N 1 2 347.488 0.982 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCN(C2C[NH+](CCO[C@@H]3CC3(F)F)C2)CC1 ZINC000941348625 610685105 /nfs/dbraw/zinc/68/51/05/610685105.db2.gz QODQGVBQZGRMAH-GXTWGEPZSA-N 1 2 342.390 0.399 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)Cc2c[nH+]c[nH]2)[nH]1 ZINC000944327260 610838492 /nfs/dbraw/zinc/83/84/92/610838492.db2.gz IXTTXJHWGKOSPS-CYBMUJFWSA-N 1 2 326.360 0.573 20 30 ECEDLO O=C(C#CC1CC1)N1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC000944970944 610862825 /nfs/dbraw/zinc/86/28/25/610862825.db2.gz QWGHHQLNICDPBU-UHFFFAOYSA-N 1 2 326.400 0.748 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CCCN2C(=O)CCc2c[nH]c[nH+]2)c1 ZINC000944088298 611121151 /nfs/dbraw/zinc/12/11/51/611121151.db2.gz MDSMFVUAFJSYLE-CQSZACIVSA-N 1 2 340.387 0.963 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CCCN2C(=O)CCc2c[nH+]c[nH]2)c1 ZINC000944088298 611121153 /nfs/dbraw/zinc/12/11/53/611121153.db2.gz MDSMFVUAFJSYLE-CQSZACIVSA-N 1 2 340.387 0.963 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NC1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000946120359 611235599 /nfs/dbraw/zinc/23/55/99/611235599.db2.gz VWHGMNVFINCBKK-UHFFFAOYSA-N 1 2 340.387 0.583 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)s2)C1 ZINC000923582264 611269671 /nfs/dbraw/zinc/26/96/71/611269671.db2.gz KZKUJWMDMUIXMD-SNVBAGLBSA-N 1 2 327.431 0.223 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)s2)C1 ZINC000923582264 611269673 /nfs/dbraw/zinc/26/96/73/611269673.db2.gz KZKUJWMDMUIXMD-SNVBAGLBSA-N 1 2 327.431 0.223 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NC1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000946494865 611284247 /nfs/dbraw/zinc/28/42/47/611284247.db2.gz RDMLILDBDJQKEK-UHFFFAOYSA-N 1 2 340.387 0.583 20 30 ECEDLO COC[C@@H](C)NC(=O)NC(=O)C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933655883 611739139 /nfs/dbraw/zinc/73/91/39/611739139.db2.gz FHQWUSVSSPYINA-GFCCVEGCSA-N 1 2 339.392 0.185 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H](O)C2(O)CCOCC2)c1 ZINC000929290662 611742775 /nfs/dbraw/zinc/74/27/75/611742775.db2.gz ZRGYHTRSOUYKCZ-INIZCTEOSA-N 1 2 332.400 0.441 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](O)C2(O)CCOCC2)c1 ZINC000929290662 611742777 /nfs/dbraw/zinc/74/27/77/611742777.db2.gz ZRGYHTRSOUYKCZ-INIZCTEOSA-N 1 2 332.400 0.441 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nncn3C)[C@H](C)C2)cn1 ZINC000947949740 611753200 /nfs/dbraw/zinc/75/32/00/611753200.db2.gz ZQMOBXHRWSTKDB-CJNGLKHVSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nncn3C)[C@H](C)C2)cn1 ZINC000947949740 611753202 /nfs/dbraw/zinc/75/32/02/611753202.db2.gz ZQMOBXHRWSTKDB-CJNGLKHVSA-N 1 2 338.415 0.974 20 30 ECEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000948985321 611785683 /nfs/dbraw/zinc/78/56/83/611785683.db2.gz CMWNAEQHMYGHAQ-HZPDHXFCSA-N 1 2 347.440 0.027 20 30 ECEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000948985321 611785685 /nfs/dbraw/zinc/78/56/85/611785685.db2.gz CMWNAEQHMYGHAQ-HZPDHXFCSA-N 1 2 347.440 0.027 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCOC2(CC[NH+](Cc3cnns3)CC2)C1 ZINC000949053833 611830552 /nfs/dbraw/zinc/83/05/52/611830552.db2.gz MBJNVJVBLLXIHZ-LBPRGKRZSA-N 1 2 335.433 0.891 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[nH]1 ZINC000950767568 611898530 /nfs/dbraw/zinc/89/85/30/611898530.db2.gz IBNFYVOUSOJTOO-YNEHKIRRSA-N 1 2 338.371 0.744 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[nH]1 ZINC000950767568 611898533 /nfs/dbraw/zinc/89/85/33/611898533.db2.gz IBNFYVOUSOJTOO-YNEHKIRRSA-N 1 2 338.371 0.744 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CCN2C(=O)Cc2[nH]cc[nH+]2)nn1 ZINC000950195201 611901049 /nfs/dbraw/zinc/90/10/49/611901049.db2.gz WMKHNTMPLCDJIS-GFCCVEGCSA-N 1 2 343.391 0.151 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CC1)CN(Cc1c[nH+]cn1C)CCO2 ZINC000949320339 611938025 /nfs/dbraw/zinc/93/80/25/611938025.db2.gz KZIYOWPWMOFQQG-CQSZACIVSA-N 1 2 331.420 0.773 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)CC2)C1 ZINC000949378931 611957567 /nfs/dbraw/zinc/95/75/67/611957567.db2.gz GCUXYMGTCXYVRN-OAHLLOKOSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)CC2)C1 ZINC000949378931 611957569 /nfs/dbraw/zinc/95/75/69/611957569.db2.gz GCUXYMGTCXYVRN-OAHLLOKOSA-N 1 2 333.432 0.181 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000949387014 611960688 /nfs/dbraw/zinc/96/06/88/611960688.db2.gz FGUBLTAZAHHOQA-DZGCQCFKSA-N 1 2 343.431 0.960 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3COCCN3CC)CC2)C1 ZINC000949401903 611965746 /nfs/dbraw/zinc/96/57/46/611965746.db2.gz PKPVGBLVSCYIFD-INIZCTEOSA-N 1 2 335.448 0.034 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3COCCN3CC)CC2)C1 ZINC000949401903 611965748 /nfs/dbraw/zinc/96/57/48/611965748.db2.gz PKPVGBLVSCYIFD-INIZCTEOSA-N 1 2 335.448 0.034 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC000949419781 611972752 /nfs/dbraw/zinc/97/27/52/611972752.db2.gz UACHPICIWRYYEW-ALYAQQCSSA-N 1 2 330.428 0.736 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC000949419781 611972754 /nfs/dbraw/zinc/97/27/54/611972754.db2.gz UACHPICIWRYYEW-ALYAQQCSSA-N 1 2 330.428 0.736 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)COc3cnn(C)c3)CC2)C1 ZINC000949454422 611986995 /nfs/dbraw/zinc/98/69/95/611986995.db2.gz KOHKFUQAPWAYAG-UHFFFAOYSA-N 1 2 332.404 0.126 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)COc3cnn(C)c3)CC2)C1 ZINC000949454422 611986998 /nfs/dbraw/zinc/98/69/98/611986998.db2.gz KOHKFUQAPWAYAG-UHFFFAOYSA-N 1 2 332.404 0.126 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCc4n[nH]nc4C3)CC2)C1 ZINC000949512280 612016160 /nfs/dbraw/zinc/01/61/60/612016160.db2.gz VBRGTRCYDXUBAC-CQSZACIVSA-N 1 2 343.431 0.236 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCc4n[nH]nc4C3)CC2)C1 ZINC000949512280 612016162 /nfs/dbraw/zinc/01/61/62/612016162.db2.gz VBRGTRCYDXUBAC-CQSZACIVSA-N 1 2 343.431 0.236 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 ZINC000953330713 612252139 /nfs/dbraw/zinc/25/21/39/612252139.db2.gz FWDKGFCHASMZSY-RDJZCZTQSA-N 1 2 340.427 0.825 20 30 ECEDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc(C#N)cs2)CC1 ZINC000084188632 612577167 /nfs/dbraw/zinc/57/71/67/612577167.db2.gz JAXHODODVNNVMC-UHFFFAOYSA-N 1 2 341.458 0.859 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000951817481 612660401 /nfs/dbraw/zinc/66/04/01/612660401.db2.gz VKLTXGCYPITJRZ-MJBXVCDLSA-N 1 2 332.404 0.651 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000955618399 612710792 /nfs/dbraw/zinc/71/07/92/612710792.db2.gz PHNRCESLDJLKLF-DGCLKSJQSA-N 1 2 340.387 0.961 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(C(=O)C4CC4)CC3)C2)[nH]1 ZINC000956574932 612915544 /nfs/dbraw/zinc/91/55/44/612915544.db2.gz WGDWDGZYASGYKQ-OAHLLOKOSA-N 1 2 341.415 0.655 20 30 ECEDLO CC(C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)CC1 ZINC000956580479 612917203 /nfs/dbraw/zinc/91/72/03/612917203.db2.gz DJWDYQGDZCAKDQ-HNNXBMFYSA-N 1 2 343.431 0.901 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccc[nH]3)C2)CC1 ZINC000956606188 612924775 /nfs/dbraw/zinc/92/47/75/612924775.db2.gz PEWBJPLSRYFEQN-GDBMZVCRSA-N 1 2 343.431 0.462 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)C2)C1 ZINC000972394446 736114722 /nfs/dbraw/zinc/11/47/22/736114722.db2.gz HVDYNRNDLGGSMJ-QAPCUYQASA-N 1 2 333.432 0.180 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)C2)C1 ZINC000972394446 736114726 /nfs/dbraw/zinc/11/47/26/736114726.db2.gz HVDYNRNDLGGSMJ-QAPCUYQASA-N 1 2 333.432 0.180 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001024956501 738428801 /nfs/dbraw/zinc/42/88/01/738428801.db2.gz GPYAQWYDIIJBQE-CPUCHLNUSA-N 1 2 334.420 0.551 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001024966489 738437479 /nfs/dbraw/zinc/43/74/79/738437479.db2.gz DVEUBIWYEIRBFM-KFWWJZLASA-N 1 2 348.451 0.662 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cnn(C)n1 ZINC001024987791 738462541 /nfs/dbraw/zinc/46/25/41/738462541.db2.gz URDAEGOABWUNKP-SJORKVTESA-N 1 2 344.463 0.383 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@@H](C)C2C[NH+](CC(=O)NC)C2)cc1 ZINC000970536553 733655840 /nfs/dbraw/zinc/65/58/40/733655840.db2.gz UCKAOBWYXNTCPH-ZDUSSCGKSA-N 1 2 329.400 0.495 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC000970736487 733893929 /nfs/dbraw/zinc/89/39/29/733893929.db2.gz CLFCUKYMVFWCDL-VIFPVBQESA-N 1 2 336.783 0.220 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971047129 734207233 /nfs/dbraw/zinc/20/72/33/734207233.db2.gz WVTFTCNUIRKLDQ-JTQLQIEISA-N 1 2 329.202 0.114 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971047129 734207235 /nfs/dbraw/zinc/20/72/35/734207235.db2.gz WVTFTCNUIRKLDQ-JTQLQIEISA-N 1 2 329.202 0.114 20 30 ECEDLO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCS(=O)(=O)C3)[C@H]2C1 ZINC001083211098 734224621 /nfs/dbraw/zinc/22/46/21/734224621.db2.gz JKLFCYAGYRIYBC-QLFBSQMISA-N 1 2 342.461 0.299 20 30 ECEDLO C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCS(=O)(=O)C3)[C@H]2C1 ZINC001083211098 734224626 /nfs/dbraw/zinc/22/46/26/734224626.db2.gz JKLFCYAGYRIYBC-QLFBSQMISA-N 1 2 342.461 0.299 20 30 ECEDLO N#Cc1ccc(NCC2(O)CCN(C(=O)Cn3cc[nH+]c3)CC2)nn1 ZINC001067477168 734233030 /nfs/dbraw/zinc/23/30/30/734233030.db2.gz SBRPQXFYUWVKQQ-UHFFFAOYSA-N 1 2 341.375 0.010 20 30 ECEDLO Cc1nsc(NCCN(CCO)C(=O)Cc2c[nH+]cn2C)c1C#N ZINC001111488932 734401700 /nfs/dbraw/zinc/40/17/00/734401700.db2.gz AUZPYBKNQQMLHB-UHFFFAOYSA-N 1 2 348.432 0.532 20 30 ECEDLO N#Cc1ccc(N2CCO[C@H](CNC(=O)CCn3cc[nH+]c3)C2)nc1 ZINC001104338328 734436412 /nfs/dbraw/zinc/43/64/12/734436412.db2.gz SNBVBBIOPMKADK-OAHLLOKOSA-N 1 2 340.387 0.561 20 30 ECEDLO Cc1cc(N2CCO[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)c(C#N)cn1 ZINC001104349722 734522673 /nfs/dbraw/zinc/52/26/73/734522673.db2.gz LAEAUIMHEFRLLA-HNNXBMFYSA-N 1 2 340.387 0.549 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000971451323 734608808 /nfs/dbraw/zinc/60/88/08/734608808.db2.gz LHMZMDOKJOKKGE-UWVGGRQHSA-N 1 2 332.198 0.536 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000971451323 734608810 /nfs/dbraw/zinc/60/88/10/734608810.db2.gz LHMZMDOKJOKKGE-UWVGGRQHSA-N 1 2 332.198 0.536 20 30 ECEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971544423 734737385 /nfs/dbraw/zinc/73/73/85/734737385.db2.gz AXRKXTZOPKPQHH-OAHLLOKOSA-N 1 2 343.366 0.417 20 30 ECEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971544423 734737388 /nfs/dbraw/zinc/73/73/88/734737388.db2.gz AXRKXTZOPKPQHH-OAHLLOKOSA-N 1 2 343.366 0.417 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC000971667178 734933012 /nfs/dbraw/zinc/93/30/12/734933012.db2.gz KOGQRHUNHBHLMD-RYUDHWBXSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC000971667178 734933013 /nfs/dbraw/zinc/93/30/13/734933013.db2.gz KOGQRHUNHBHLMD-RYUDHWBXSA-N 1 2 344.253 0.954 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2cnc(C)nc2)C1 ZINC000971703248 734964038 /nfs/dbraw/zinc/96/40/38/734964038.db2.gz BJNDDGSZDQHJRX-ROUUACIJSA-N 1 2 341.459 0.915 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2cnc(C)nc2)C1 ZINC000971703248 734964039 /nfs/dbraw/zinc/96/40/39/734964039.db2.gz BJNDDGSZDQHJRX-ROUUACIJSA-N 1 2 341.459 0.915 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cnc(C)nc2)C1 ZINC000971703248 734964040 /nfs/dbraw/zinc/96/40/40/734964040.db2.gz BJNDDGSZDQHJRX-ROUUACIJSA-N 1 2 341.459 0.915 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cnc(C)nc2)C1 ZINC000971703248 734964041 /nfs/dbraw/zinc/96/40/41/734964041.db2.gz BJNDDGSZDQHJRX-ROUUACIJSA-N 1 2 341.459 0.915 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2cnc(C)nc2)C1 ZINC000971703248 734964045 /nfs/dbraw/zinc/96/40/45/734964045.db2.gz BJNDDGSZDQHJRX-ROUUACIJSA-N 1 2 341.459 0.915 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)c3[nH]nnc3C)C2)C1=O ZINC000972061249 735595197 /nfs/dbraw/zinc/59/51/97/735595197.db2.gz KXXRKLZPZHRLCZ-OLZOCXBDSA-N 1 2 332.408 0.046 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3[nH]nnc3C)C2)C1=O ZINC000972061249 735595200 /nfs/dbraw/zinc/59/52/00/735595200.db2.gz KXXRKLZPZHRLCZ-OLZOCXBDSA-N 1 2 332.408 0.046 20 30 ECEDLO C=C1CCC(C(=O)N2CC[C@H]([N@@H+](C)Cc3nc(=O)n(C)[nH]3)C2)CC1 ZINC000972234555 735818984 /nfs/dbraw/zinc/81/89/84/735818984.db2.gz HTJWFHKAUCANOY-AWEZNQCLSA-N 1 2 333.436 0.888 20 30 ECEDLO C=C1CCC(C(=O)N2CC[C@H]([N@H+](C)Cc3nc(=O)n(C)[nH]3)C2)CC1 ZINC000972234555 735818989 /nfs/dbraw/zinc/81/89/89/735818989.db2.gz HTJWFHKAUCANOY-AWEZNQCLSA-N 1 2 333.436 0.888 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)COc3c(C)nn(C)c3C)C2)C1 ZINC000972381317 736045443 /nfs/dbraw/zinc/04/54/43/736045443.db2.gz PIFHUZVSXZWQCF-GOSISDBHSA-N 1 2 348.447 0.905 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)COc3c(C)nn(C)c3C)C2)C1 ZINC000972381317 736045448 /nfs/dbraw/zinc/04/54/48/736045448.db2.gz PIFHUZVSXZWQCF-GOSISDBHSA-N 1 2 348.447 0.905 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C4CCC4)nn3)C2)C1 ZINC000972387770 736059507 /nfs/dbraw/zinc/05/95/07/736059507.db2.gz XMKJLPXLXIKVHJ-SFHVURJKSA-N 1 2 343.431 0.943 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C4CCC4)nn3)C2)C1 ZINC000972387770 736059513 /nfs/dbraw/zinc/05/95/13/736059513.db2.gz XMKJLPXLXIKVHJ-SFHVURJKSA-N 1 2 343.431 0.943 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[C@]3(C1)CN(CC#N)CCO3)C2 ZINC000972440967 736200765 /nfs/dbraw/zinc/20/07/65/736200765.db2.gz OAXWQNHXMKHXFX-KBXCAEBGSA-N 1 2 343.431 0.650 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[C@]3(C1)CN(CC#N)CCO3)CC2 ZINC000972440967 736200767 /nfs/dbraw/zinc/20/07/67/736200767.db2.gz OAXWQNHXMKHXFX-KBXCAEBGSA-N 1 2 343.431 0.650 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4cncn4C3)C2)C1 ZINC000972441918 736205373 /nfs/dbraw/zinc/20/53/73/736205373.db2.gz WLVNGRLFHXODIL-MAUKXSAKSA-N 1 2 330.432 0.935 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4cncn4C3)C2)C1 ZINC000972441918 736205375 /nfs/dbraw/zinc/20/53/75/736205375.db2.gz WLVNGRLFHXODIL-MAUKXSAKSA-N 1 2 330.432 0.935 20 30 ECEDLO N#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC000972442068 736205651 /nfs/dbraw/zinc/20/56/51/736205651.db2.gz YKURUNUKFXKLAJ-YOEHRIQHSA-N 1 2 329.404 0.272 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4c(c3)nnn4C)C2)C1 ZINC000972466799 736270544 /nfs/dbraw/zinc/27/05/44/736270544.db2.gz TZDUDYDBRLIUJT-KRWDZBQOSA-N 1 2 342.403 0.466 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4c(c3)nnn4C)C2)C1 ZINC000972466799 736270548 /nfs/dbraw/zinc/27/05/48/736270548.db2.gz TZDUDYDBRLIUJT-KRWDZBQOSA-N 1 2 342.403 0.466 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(OC)cc(OC)c3)[C@H]2C1 ZINC001083257722 736474187 /nfs/dbraw/zinc/47/41/87/736474187.db2.gz RUTKUGSGTSKNFO-DLBZAZTESA-N 1 2 330.384 0.862 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(OC)cc(OC)c3)[C@H]2C1 ZINC001083257722 736474188 /nfs/dbraw/zinc/47/41/88/736474188.db2.gz RUTKUGSGTSKNFO-DLBZAZTESA-N 1 2 330.384 0.862 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3ccc(=O)[nH]c3)C2)C1 ZINC000972516694 736524756 /nfs/dbraw/zinc/52/47/56/736524756.db2.gz BRUZRZPXWVAECG-GOSISDBHSA-N 1 2 329.400 0.656 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3ccc(=O)[nH]c3)C2)C1 ZINC000972516694 736524759 /nfs/dbraw/zinc/52/47/59/736524759.db2.gz BRUZRZPXWVAECG-GOSISDBHSA-N 1 2 329.400 0.656 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)COc3cnn(C)c3)C2)C1 ZINC000972523711 736567373 /nfs/dbraw/zinc/56/73/73/736567373.db2.gz LKPZJHGLTOGRPD-KRWDZBQOSA-N 1 2 332.404 0.126 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)COc3cnn(C)c3)C2)C1 ZINC000972523711 736567374 /nfs/dbraw/zinc/56/73/74/736567374.db2.gz LKPZJHGLTOGRPD-KRWDZBQOSA-N 1 2 332.404 0.126 20 30 ECEDLO Cn1ncnc1C[N@@H+]1CCC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023295963 736655703 /nfs/dbraw/zinc/65/57/03/736655703.db2.gz MBHRKDJNGDBJRP-GFCCVEGCSA-N 1 2 327.392 0.657 20 30 ECEDLO Cn1ncnc1C[N@H+]1CCC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023295963 736655704 /nfs/dbraw/zinc/65/57/04/736655704.db2.gz MBHRKDJNGDBJRP-GFCCVEGCSA-N 1 2 327.392 0.657 20 30 ECEDLO C[C@H](c1nnnn1C)[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001023319928 736680377 /nfs/dbraw/zinc/68/03/77/736680377.db2.gz JOWNFXKNVDCBJA-NEPJUHHUSA-N 1 2 342.407 0.613 20 30 ECEDLO C[C@H](c1nnnn1C)[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001023319928 736680382 /nfs/dbraw/zinc/68/03/82/736680382.db2.gz JOWNFXKNVDCBJA-NEPJUHHUSA-N 1 2 342.407 0.613 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)C1 ZINC000972564862 736817833 /nfs/dbraw/zinc/81/78/33/736817833.db2.gz NCCUZBBMIDHMMG-YQVWRLOYSA-N 1 2 342.443 0.850 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)C1 ZINC000972564862 736817834 /nfs/dbraw/zinc/81/78/34/736817834.db2.gz NCCUZBBMIDHMMG-YQVWRLOYSA-N 1 2 342.443 0.850 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3ccc(C)cc3=O)C2)C1 ZINC000972581177 736939096 /nfs/dbraw/zinc/93/90/96/736939096.db2.gz GFWWKUSVJGPBFB-SFHVURJKSA-N 1 2 331.416 0.646 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3ccc(C)cc3=O)C2)C1 ZINC000972581177 736939098 /nfs/dbraw/zinc/93/90/98/736939098.db2.gz GFWWKUSVJGPBFB-SFHVURJKSA-N 1 2 331.416 0.646 20 30 ECEDLO N#CCN1CCC[C@H](CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001023510562 736941722 /nfs/dbraw/zinc/94/17/22/736941722.db2.gz NDWYIPWRZQNIMF-SJORKVTESA-N 1 2 334.464 0.839 20 30 ECEDLO N#CCN1CCC[C@H](CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001023510562 736941727 /nfs/dbraw/zinc/94/17/27/736941727.db2.gz NDWYIPWRZQNIMF-SJORKVTESA-N 1 2 334.464 0.839 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCCCN3C(C)=O)C2)C1 ZINC000972584950 736965569 /nfs/dbraw/zinc/96/55/69/736965569.db2.gz DDWGCXDGYNKSHO-HKUYNNGSSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCCCN3C(C)=O)C2)C1 ZINC000972584950 736965571 /nfs/dbraw/zinc/96/55/71/736965571.db2.gz DDWGCXDGYNKSHO-HKUYNNGSSA-N 1 2 347.459 0.714 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(=O)n(CC)n3)C2)C1 ZINC000972601396 737061594 /nfs/dbraw/zinc/06/15/94/737061594.db2.gz IHWDYPUVRPQATQ-GOSISDBHSA-N 1 2 344.415 0.203 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(=O)n(CC)n3)C2)C1 ZINC000972601396 737061600 /nfs/dbraw/zinc/06/16/00/737061600.db2.gz IHWDYPUVRPQATQ-GOSISDBHSA-N 1 2 344.415 0.203 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3nc4nccc(C)n4n3)C2)C1 ZINC000972660521 737274122 /nfs/dbraw/zinc/27/41/22/737274122.db2.gz UIQOWGIBHCBXGS-QGZVFWFLSA-N 1 2 342.403 0.536 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3nc4nccc(C)n4n3)C2)C1 ZINC000972660521 737274126 /nfs/dbraw/zinc/27/41/26/737274126.db2.gz UIQOWGIBHCBXGS-QGZVFWFLSA-N 1 2 342.403 0.536 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(=O)Nc3ccc(C)cc3)C2)C1 ZINC000972669328 737313380 /nfs/dbraw/zinc/31/33/80/737313380.db2.gz KTVMJHXUSJLWEH-IBGZPJMESA-N 1 2 341.411 0.870 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(=O)Nc3ccc(C)cc3)C2)C1 ZINC000972669328 737313384 /nfs/dbraw/zinc/31/33/84/737313384.db2.gz KTVMJHXUSJLWEH-IBGZPJMESA-N 1 2 341.411 0.870 20 30 ECEDLO C#CCCN1CCO[C@@]2(CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000972675619 737348181 /nfs/dbraw/zinc/34/81/81/737348181.db2.gz CSDWIYZYTDOOOG-HKUYNNGSSA-N 1 2 349.475 0.281 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3cnn(C)c3)C2)C1 ZINC000972685315 737376538 /nfs/dbraw/zinc/37/65/38/737376538.db2.gz NCRRGDYWZWGJBU-GOSISDBHSA-N 1 2 330.432 0.679 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3cnn(C)c3)C2)C1 ZINC000972685315 737376543 /nfs/dbraw/zinc/37/65/43/737376543.db2.gz NCRRGDYWZWGJBU-GOSISDBHSA-N 1 2 330.432 0.679 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3ccc(C(N)=O)cc3)C2)C1 ZINC000972697455 737413752 /nfs/dbraw/zinc/41/37/52/737413752.db2.gz WZLAYOXKTJFOBI-LJQANCHMSA-N 1 2 343.427 0.817 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3ccc(C(N)=O)cc3)C2)C1 ZINC000972697455 737413758 /nfs/dbraw/zinc/41/37/58/737413758.db2.gz WZLAYOXKTJFOBI-LJQANCHMSA-N 1 2 343.427 0.817 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3cn(C)nn3)C2)C1 ZINC000972705478 737515794 /nfs/dbraw/zinc/51/57/94/737515794.db2.gz YTMASSASHKOHKH-QGZVFWFLSA-N 1 2 331.420 0.074 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3cn(C)nn3)C2)C1 ZINC000972705478 737515795 /nfs/dbraw/zinc/51/57/95/737515795.db2.gz YTMASSASHKOHKH-QGZVFWFLSA-N 1 2 331.420 0.074 20 30 ECEDLO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCC(=O)NC1=O)C2 ZINC001098165798 737796152 /nfs/dbraw/zinc/79/61/52/737796152.db2.gz PIYUDAGBYYUWIB-UTUOFQBUSA-N 1 2 340.811 0.402 20 30 ECEDLO C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCC(=O)NC1=O)C2 ZINC001098165798 737796155 /nfs/dbraw/zinc/79/61/55/737796155.db2.gz PIYUDAGBYYUWIB-UTUOFQBUSA-N 1 2 340.811 0.402 20 30 ECEDLO Cn1nncc1C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001024394790 737938032 /nfs/dbraw/zinc/93/80/32/737938032.db2.gz MFNWUPFJDDFAGF-ZDUSSCGKSA-N 1 2 327.392 0.799 20 30 ECEDLO Cn1nncc1C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001024394790 737938037 /nfs/dbraw/zinc/93/80/37/737938037.db2.gz MFNWUPFJDDFAGF-ZDUSSCGKSA-N 1 2 327.392 0.799 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001024785990 738293511 /nfs/dbraw/zinc/29/35/11/738293511.db2.gz VIZPDQLEHGUTFL-LSDHHAIUSA-N 1 2 343.855 0.957 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001024785990 738293514 /nfs/dbraw/zinc/29/35/14/738293514.db2.gz VIZPDQLEHGUTFL-LSDHHAIUSA-N 1 2 343.855 0.957 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnn(C)n2)C1 ZINC001104700009 739503475 /nfs/dbraw/zinc/50/34/75/739503475.db2.gz VEXXNKAKPDLYAD-TUVASFSCSA-N 1 2 348.451 0.375 20 30 ECEDLO C[C@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001104729853 739556010 /nfs/dbraw/zinc/55/60/10/739556010.db2.gz NCLKJJJHBMOYCP-CHWSQXEVSA-N 1 2 339.403 0.488 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](Cc3cnon3)C2)nn1 ZINC001025555852 739719221 /nfs/dbraw/zinc/71/92/21/739719221.db2.gz QJYLEILHAGPCDH-CHWSQXEVSA-N 1 2 345.407 0.878 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](Cc3cnon3)C2)nn1 ZINC001025555852 739719224 /nfs/dbraw/zinc/71/92/24/739719224.db2.gz QJYLEILHAGPCDH-CHWSQXEVSA-N 1 2 345.407 0.878 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc[nH]2)C1 ZINC000957863882 751480989 /nfs/dbraw/zinc/48/09/89/751480989.db2.gz NWRDSCHJBDKRSS-CMPLNLGQSA-N 1 2 328.210 0.946 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc[nH]2)C1 ZINC000957863882 751480998 /nfs/dbraw/zinc/48/09/98/751480998.db2.gz NWRDSCHJBDKRSS-CMPLNLGQSA-N 1 2 328.210 0.946 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4[nH]c(=O)oc4c3)[C@H]2C1 ZINC001083284836 739805532 /nfs/dbraw/zinc/80/55/32/739805532.db2.gz SMSDAICJLKEUGZ-DZGCQCFKSA-N 1 2 327.340 0.692 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4[nH]c(=O)oc4c3)[C@H]2C1 ZINC001083284836 739805537 /nfs/dbraw/zinc/80/55/37/739805537.db2.gz SMSDAICJLKEUGZ-DZGCQCFKSA-N 1 2 327.340 0.692 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C)nn1 ZINC000988071104 751497584 /nfs/dbraw/zinc/49/75/84/751497584.db2.gz VYHKLRVVFQLQFH-YPMHNXCESA-N 1 2 343.391 0.149 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnc(C)cn3)C2)nn1 ZINC001098604370 739946741 /nfs/dbraw/zinc/94/67/41/739946741.db2.gz NGZLRJUPKIEDNM-AWEZNQCLSA-N 1 2 325.376 0.187 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2cncnc2)[C@@H](n2ccnn2)C1 ZINC001070006580 790307477 /nfs/dbraw/zinc/30/74/77/790307477.db2.gz DXSRTXYTFCPWCH-BMFZPTHFSA-N 1 2 339.403 0.237 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)c2cncnc2)[C@@H](n2ccnn2)C1 ZINC001070006580 790307481 /nfs/dbraw/zinc/30/74/81/790307481.db2.gz DXSRTXYTFCPWCH-BMFZPTHFSA-N 1 2 339.403 0.237 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[C@]34CCOC4)C2)nn1 ZINC001105359726 751520837 /nfs/dbraw/zinc/52/08/37/751520837.db2.gz TXWPKNBIFDVRHF-WBVHZDCISA-N 1 2 329.404 0.201 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001020426961 751591098 /nfs/dbraw/zinc/59/10/98/751591098.db2.gz MEYKMZXQPGHABD-FZKCQIBNSA-N 1 2 346.431 0.970 20 30 ECEDLO CC(C)C[C@H](CNc1ccnc(C#N)n1)NC(=O)Cc1c[nH+]cn1C ZINC001104953594 741016619 /nfs/dbraw/zinc/01/66/19/741016619.db2.gz HRRBJPYWGUNBNM-CYBMUJFWSA-N 1 2 341.419 0.689 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3cnc(C)cn3)C2)C1=O ZINC001006632778 751599165 /nfs/dbraw/zinc/59/91/65/751599165.db2.gz CPFIRVVNCKNDNK-HOCLYGCPSA-N 1 2 343.431 0.766 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cnc(C)cn3)C2)C1=O ZINC001006632778 751599168 /nfs/dbraw/zinc/59/91/68/751599168.db2.gz CPFIRVVNCKNDNK-HOCLYGCPSA-N 1 2 343.431 0.766 20 30 ECEDLO CC(C)C[C@H](CNc1ccnc(C#N)n1)NC(=O)CCn1cc[nH+]c1 ZINC001104977567 741076845 /nfs/dbraw/zinc/07/68/45/741076845.db2.gz ROIWKGYQHFPJKV-CQSZACIVSA-N 1 2 341.419 1.000 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)C3CCC3)C2)nn1 ZINC001105130044 741400144 /nfs/dbraw/zinc/40/01/44/741400144.db2.gz DUNGCLWJELEYJQ-GFCCVEGCSA-N 1 2 346.435 0.242 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C3CC=CC3)C2)nn1 ZINC001105199720 741462275 /nfs/dbraw/zinc/46/22/75/741462275.db2.gz CIEBCFVXTAEBDP-UHFFFAOYSA-N 1 2 344.419 0.019 20 30 ECEDLO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCc3nc[nH]n3)C2)nn1 ZINC001105207561 741474602 /nfs/dbraw/zinc/47/46/02/741474602.db2.gz ZRVYQEDFOQEUAQ-UHFFFAOYSA-N 1 2 330.396 0.078 20 30 ECEDLO C=CCC(CC=C)C(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001105248863 741551448 /nfs/dbraw/zinc/55/14/48/741551448.db2.gz BKEJMHXAFBEDLF-LBPRGKRZSA-N 1 2 346.435 0.393 20 30 ECEDLO C=C(C)CCC(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(=O)NC)nn2)C1 ZINC001105252051 741561199 /nfs/dbraw/zinc/56/11/99/741561199.db2.gz DVMVPRDCILJKEI-LBPRGKRZSA-N 1 2 334.424 0.242 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccn(CC(C)C)n3)C2)nn1 ZINC001105252037 741561228 /nfs/dbraw/zinc/56/12/28/741561228.db2.gz DSDRYNZAPBYYMT-UHFFFAOYSA-N 1 2 341.419 0.551 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[C@@H](CC)O3)C2)nn1 ZINC001105253842 741567646 /nfs/dbraw/zinc/56/76/46/741567646.db2.gz HKNAZPSZYPYYDW-CVEARBPZSA-N 1 2 331.420 0.732 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CCC[C@H](OC)C3)C2)nn1 ZINC001105259509 741581036 /nfs/dbraw/zinc/58/10/36/741581036.db2.gz BEDVIELQADDRRF-PBHICJAKSA-N 1 2 345.447 0.980 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3cn(C)nc3C)C2)nn1 ZINC001105259551 741581156 /nfs/dbraw/zinc/58/11/56/741581156.db2.gz DEFIAQUDIARLFB-UHFFFAOYSA-N 1 2 341.419 0.059 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccc4ncn(C)c43)C2)nn1 ZINC001105272213 741617386 /nfs/dbraw/zinc/61/73/86/741617386.db2.gz CUXMYFRWHUGUCS-UHFFFAOYSA-N 1 2 349.398 0.585 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3ccncc3)C2)nn1 ZINC001105275726 741623951 /nfs/dbraw/zinc/62/39/51/741623951.db2.gz ZMMUSMOXXRUPJW-UHFFFAOYSA-N 1 2 338.415 0.802 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(C)c3CC)C2)nn1 ZINC001105276675 741629832 /nfs/dbraw/zinc/62/98/32/741629832.db2.gz PECADXRYPNSYGQ-UHFFFAOYSA-N 1 2 341.419 0.384 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ncc4ccccn43)C2)nn1 ZINC001105280837 741636277 /nfs/dbraw/zinc/63/62/77/741636277.db2.gz GFXCTERVJNCGKY-UHFFFAOYSA-N 1 2 335.371 0.346 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)nn1 ZINC001105285104 741644462 /nfs/dbraw/zinc/64/44/62/741644462.db2.gz DJFCYFXVIOEGKQ-VBNZEHGJSA-N 1 2 329.404 0.199 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CC(n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001105309842 741718775 /nfs/dbraw/zinc/71/87/75/741718775.db2.gz DVEFPZSGDOAMNC-GFCCVEGCSA-N 1 2 334.424 0.099 20 30 ECEDLO C=CCCCC(=O)N1CC(n2cc(C[NH2+]CC(=O)N(C)CC)nn2)C1 ZINC001105315577 741749443 /nfs/dbraw/zinc/74/94/43/741749443.db2.gz VAWZZKOMEKDTFK-UHFFFAOYSA-N 1 2 348.451 0.586 20 30 ECEDLO CCC[C@@H]1C[C@H]1C(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105323530 741789312 /nfs/dbraw/zinc/78/93/12/741789312.db2.gz FEJSYQIHUFIPPQ-RHSMWYFYSA-N 1 2 345.447 0.837 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC(n3cc(C[NH2+]CC#CCOC)nn3)C2)C1 ZINC001105324093 741790859 /nfs/dbraw/zinc/79/08/59/741790859.db2.gz RKBHPEFBBQOUSP-UHFFFAOYSA-N 1 2 343.431 0.757 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2c[nH]c[nH+]2)C3)c1 ZINC001006720089 751724360 /nfs/dbraw/zinc/72/43/60/751724360.db2.gz JPQSZUGHXUMPQV-NFAWXSAZSA-N 1 2 338.371 0.714 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@]2(C)C[N@@H+]([C@@H](C)c3nnnn3C)C[C@]2(C)C1 ZINC000982237311 751748191 /nfs/dbraw/zinc/74/81/91/751748191.db2.gz ZJSUWHCEMVNYPD-GVAFMPQTSA-N 1 2 331.424 0.601 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@]2(C)C[N@H+]([C@@H](C)c3nnnn3C)C[C@]2(C)C1 ZINC000982237311 751748192 /nfs/dbraw/zinc/74/81/92/751748192.db2.gz ZJSUWHCEMVNYPD-GVAFMPQTSA-N 1 2 331.424 0.601 20 30 ECEDLO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1nc(-c2ccsc2)no1 ZINC001125998621 743178154 /nfs/dbraw/zinc/17/81/54/743178154.db2.gz RNMUYOMTUPOQFW-UHFFFAOYSA-N 1 2 347.400 0.143 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001027291566 743454132 /nfs/dbraw/zinc/45/41/32/743454132.db2.gz RRPJRUOZANOTDM-NSHDSACASA-N 1 2 343.229 0.505 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001027291566 743454134 /nfs/dbraw/zinc/45/41/34/743454134.db2.gz RRPJRUOZANOTDM-NSHDSACASA-N 1 2 343.229 0.505 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@H]([N@H+](C)Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001027337167 743800793 /nfs/dbraw/zinc/80/07/93/743800793.db2.gz ZHCJMXSZCVNZNG-OCCSQVGLSA-N 1 2 342.403 0.605 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@H]([N@@H+](C)Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001027337167 743800797 /nfs/dbraw/zinc/80/07/97/743800797.db2.gz ZHCJMXSZCVNZNG-OCCSQVGLSA-N 1 2 342.403 0.605 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cncnc3C)C2)C1=O ZINC001006812000 751861330 /nfs/dbraw/zinc/86/13/30/751861330.db2.gz ADUWCKJEUMMYKJ-ZBFHGGJFSA-N 1 2 343.431 0.766 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cncnc3C)C2)C1=O ZINC001006812000 751861338 /nfs/dbraw/zinc/86/13/38/751861338.db2.gz ADUWCKJEUMMYKJ-ZBFHGGJFSA-N 1 2 343.431 0.766 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@H]32)c1 ZINC000976325988 743835718 /nfs/dbraw/zinc/83/57/18/743835718.db2.gz AYJGECBMXZIPNZ-ATCWAGBWSA-N 1 2 338.371 0.429 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001027392635 744139675 /nfs/dbraw/zinc/13/96/75/744139675.db2.gz SZRTXJHNDAOMKV-QWRGUYRKSA-N 1 2 346.225 0.926 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001027392635 744139677 /nfs/dbraw/zinc/13/96/77/744139677.db2.gz SZRTXJHNDAOMKV-QWRGUYRKSA-N 1 2 346.225 0.926 20 30 ECEDLO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCCS3(=O)=O)C[C@@]2(C)C1 ZINC000982295152 751897818 /nfs/dbraw/zinc/89/78/18/751897818.db2.gz LDERIBOPSGEAIZ-BHYGNILZSA-N 1 2 338.473 0.757 20 30 ECEDLO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCCS3(=O)=O)C[C@@]2(C)C1 ZINC000982295152 751897828 /nfs/dbraw/zinc/89/78/28/751897828.db2.gz LDERIBOPSGEAIZ-BHYGNILZSA-N 1 2 338.473 0.757 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000976730981 744254277 /nfs/dbraw/zinc/25/42/77/744254277.db2.gz UZBRZEAZIDMJFX-BSXFFOKHSA-N 1 2 338.411 0.432 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cc[nH+]c2)cn1 ZINC000998954792 744426536 /nfs/dbraw/zinc/42/65/36/744426536.db2.gz RNAFVKVQROJHPP-IKGGRYGDSA-N 1 2 349.394 0.821 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@H]32)nc1 ZINC000976914841 744474683 /nfs/dbraw/zinc/47/46/83/744474683.db2.gz ICNVDPOAEKWFDN-HWWDLCQESA-N 1 2 349.394 0.536 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)C(C)(F)F)[C@H](OC)C1 ZINC001213460531 751926765 /nfs/dbraw/zinc/92/67/65/751926765.db2.gz RTMAWYJBZUXKHW-QJPTWQEYSA-N 1 2 333.379 0.395 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](C)C(C)(F)F)[C@H](OC)C1 ZINC001213460531 751926769 /nfs/dbraw/zinc/92/67/69/751926769.db2.gz RTMAWYJBZUXKHW-QJPTWQEYSA-N 1 2 333.379 0.395 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3coc(C4CC4)n3)C2)nn1 ZINC001105339835 744719079 /nfs/dbraw/zinc/71/90/79/744719079.db2.gz YQZSUMGMZGNBEC-UHFFFAOYSA-N 1 2 340.387 0.954 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCCOCC)C2)nn1 ZINC001098626167 744818724 /nfs/dbraw/zinc/81/87/24/744818724.db2.gz LTRWRIHPRGQCCJ-INIZCTEOSA-N 1 2 333.436 0.981 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3scnc3C)C2)nn1 ZINC001098626274 744870414 /nfs/dbraw/zinc/87/04/14/744870414.db2.gz NGPMPHVLMPPIGN-CYBMUJFWSA-N 1 2 330.417 0.853 20 30 ECEDLO C=CCC[N@@H+]1C[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C(C)(C)C1 ZINC000977364712 744906198 /nfs/dbraw/zinc/90/61/98/744906198.db2.gz QCZXBNQLYRWINM-ZDUSSCGKSA-N 1 2 344.419 0.474 20 30 ECEDLO C=CCC[N@H+]1C[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C(C)(C)C1 ZINC000977364712 744906201 /nfs/dbraw/zinc/90/62/01/744906201.db2.gz QCZXBNQLYRWINM-ZDUSSCGKSA-N 1 2 344.419 0.474 20 30 ECEDLO C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3[nH]nc(C)c3C)nn2)C1 ZINC000999961165 745104030 /nfs/dbraw/zinc/10/40/30/745104030.db2.gz HZEFTTJKLDJTCG-AWEZNQCLSA-N 1 2 329.408 0.981 20 30 ECEDLO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3[nH]nc(C)c3C)nn2)C1 ZINC000999961165 745104034 /nfs/dbraw/zinc/10/40/34/745104034.db2.gz HZEFTTJKLDJTCG-AWEZNQCLSA-N 1 2 329.408 0.981 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1C[N@@H+](CC(=O)NC)CC1(C)C ZINC000977510928 745129703 /nfs/dbraw/zinc/12/97/03/745129703.db2.gz GZDGNSMVTPHDEH-AWEZNQCLSA-N 1 2 344.415 0.280 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1C[N@H+](CC(=O)NC)CC1(C)C ZINC000977510928 745129705 /nfs/dbraw/zinc/12/97/05/745129705.db2.gz GZDGNSMVTPHDEH-AWEZNQCLSA-N 1 2 344.415 0.280 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001000009826 745177538 /nfs/dbraw/zinc/17/75/38/745177538.db2.gz SQARZLMPXGSJOA-KQTLUZQSSA-N 1 2 344.415 0.442 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCc3ccccn3)C2)nn1 ZINC001098698103 745253084 /nfs/dbraw/zinc/25/30/84/745253084.db2.gz QBLOGYKOHSWGPL-QGZVFWFLSA-N 1 2 338.415 0.802 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H](n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001098698539 745325750 /nfs/dbraw/zinc/32/57/50/745325750.db2.gz VXLBUKSSJOMZGN-DGCLKSJQSA-N 1 2 334.424 0.227 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)Cc3ccc(C)o3)[C@@H](O)C2)C1=O ZINC001083415017 745561963 /nfs/dbraw/zinc/56/19/63/745561963.db2.gz JKYCAXOGEKTXFS-PMPSAXMXSA-N 1 2 347.415 0.079 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)Cc3ccc(C)o3)[C@@H](O)C2)C1=O ZINC001083415017 745561968 /nfs/dbraw/zinc/56/19/68/745561968.db2.gz JKYCAXOGEKTXFS-PMPSAXMXSA-N 1 2 347.415 0.079 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087548740 745961668 /nfs/dbraw/zinc/96/16/68/745961668.db2.gz LTAYMGBJWQLONK-QWHCGFSZSA-N 1 2 343.391 0.091 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087548740 745961671 /nfs/dbraw/zinc/96/16/71/745961671.db2.gz LTAYMGBJWQLONK-QWHCGFSZSA-N 1 2 343.391 0.091 20 30 ECEDLO N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001059331491 745971715 /nfs/dbraw/zinc/97/17/15/745971715.db2.gz YKWSBPQISRCGAY-AVGNSLFASA-N 1 2 337.387 0.866 20 30 ECEDLO CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000984181918 745996563 /nfs/dbraw/zinc/99/65/63/745996563.db2.gz BXOMCFSKNYUHIN-HNNXBMFYSA-N 1 2 328.416 0.825 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001059337930 746012271 /nfs/dbraw/zinc/01/22/71/746012271.db2.gz UNCYQHLQAUEXCY-OAHLLOKOSA-N 1 2 334.420 0.831 20 30 ECEDLO C=CCn1cccc1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3nnnn3C)C[C@H]21 ZINC000978303614 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C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cn1 ZINC001003471267 748588860 /nfs/dbraw/zinc/58/88/60/748588860.db2.gz FVEVLNMAMJEZKP-HZPDHXFCSA-N 1 2 349.394 0.778 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cn1 ZINC001003471267 748588864 /nfs/dbraw/zinc/58/88/64/748588864.db2.gz FVEVLNMAMJEZKP-HZPDHXFCSA-N 1 2 349.394 0.778 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC([N@@H+](C)Cc3nnnn3C)CC2)cn1 ZINC000985756860 749022457 /nfs/dbraw/zinc/02/24/57/749022457.db2.gz JVQYOZIFLOYZEU-UHFFFAOYSA-N 1 2 339.403 0.323 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC([N@H+](C)Cc3nnnn3C)CC2)cn1 ZINC000985756860 749022464 /nfs/dbraw/zinc/02/24/64/749022464.db2.gz JVQYOZIFLOYZEU-UHFFFAOYSA-N 1 2 339.403 0.323 20 30 ECEDLO CC#CC[NH+]1CCC(NC(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001003920619 749045151 /nfs/dbraw/zinc/04/51/51/749045151.db2.gz XNDJEFASAHAMHK-AWEZNQCLSA-N 1 2 326.462 0.805 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)C#CC3CC3)CC2)CC1 ZINC000985827641 749187314 /nfs/dbraw/zinc/18/73/14/749187314.db2.gz APJOFZCXQPAULN-UHFFFAOYSA-N 1 2 330.432 0.468 20 30 ECEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC2CS(=O)(=O)C2)CC1 ZINC001004476041 749545767 /nfs/dbraw/zinc/54/57/67/749545767.db2.gz WXQSIWWPWVTYCA-HNNXBMFYSA-N 1 2 339.461 0.648 20 30 ECEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC2CS(=O)(=O)C2)CC1 ZINC001004476041 749545771 /nfs/dbraw/zinc/54/57/71/749545771.db2.gz WXQSIWWPWVTYCA-HNNXBMFYSA-N 1 2 339.461 0.648 20 30 ECEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ccc3nnnn3c2)CC1 ZINC001004484918 749556903 /nfs/dbraw/zinc/55/69/03/749556903.db2.gz NMERALCITVUXQM-HNNXBMFYSA-N 1 2 339.403 0.964 20 30 ECEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ccc3nnnn3c2)CC1 ZINC001004484918 749556906 /nfs/dbraw/zinc/55/69/06/749556906.db2.gz NMERALCITVUXQM-HNNXBMFYSA-N 1 2 339.403 0.964 20 30 ECEDLO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001027936766 749627719 /nfs/dbraw/zinc/62/77/19/749627719.db2.gz MBCNFOBEJRCZGT-CYBMUJFWSA-N 1 2 344.419 0.490 20 30 ECEDLO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001027936766 749627722 /nfs/dbraw/zinc/62/77/22/749627722.db2.gz MBCNFOBEJRCZGT-CYBMUJFWSA-N 1 2 344.419 0.490 20 30 ECEDLO C[C@H]1[C@H]([NH2+]Cc2nc(N(C)C)no2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000986176746 749634089 /nfs/dbraw/zinc/63/40/89/749634089.db2.gz PLINBWAGGLYFPH-GXFFZTMASA-N 1 2 343.391 0.728 20 30 ECEDLO Cc1ccc(=O)n(CC(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)n1 ZINC001004600090 749671475 /nfs/dbraw/zinc/67/14/75/749671475.db2.gz DNNYQRIDRGXPIC-MRXNPFEDSA-N 1 2 343.431 0.778 20 30 ECEDLO Cc1ccc(=O)n(CC(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)n1 ZINC001004600090 749671483 /nfs/dbraw/zinc/67/14/83/749671483.db2.gz DNNYQRIDRGXPIC-MRXNPFEDSA-N 1 2 343.431 0.778 20 30 ECEDLO CC(=O)N1CCO[C@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004608681 749679875 /nfs/dbraw/zinc/67/98/75/749679875.db2.gz AUDXNQMGIASSQM-IRXDYDNUSA-N 1 2 348.447 0.460 20 30 ECEDLO CC(=O)N1CCO[C@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004608681 749679880 /nfs/dbraw/zinc/67/98/80/749679880.db2.gz AUDXNQMGIASSQM-IRXDYDNUSA-N 1 2 348.447 0.460 20 30 ECEDLO C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001004720918 749778905 /nfs/dbraw/zinc/77/89/05/749778905.db2.gz AZPSRLOANMBWGX-ABAIWWIYSA-N 1 2 340.387 0.819 20 30 ECEDLO O=C([C@H]1COCCO1)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000980740411 750057305 /nfs/dbraw/zinc/05/73/05/750057305.db2.gz JDEUVTRHKWUSHN-GOSISDBHSA-N 1 2 328.412 0.988 20 30 ECEDLO O=C([C@H]1COCCO1)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000980740411 750057311 /nfs/dbraw/zinc/05/73/11/750057311.db2.gz JDEUVTRHKWUSHN-GOSISDBHSA-N 1 2 328.412 0.988 20 30 ECEDLO C#CCOCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001051415684 762022626 /nfs/dbraw/zinc/02/26/26/762022626.db2.gz CINXXEFXHNFJQG-KGLIPLIRSA-N 1 2 332.404 0.345 20 30 ECEDLO C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001005211210 750380674 /nfs/dbraw/zinc/38/06/74/750380674.db2.gz ZWJILNQJZCSWLB-FZMZJTMJSA-N 1 2 340.387 0.819 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@@H]3C(C)C)C2)nn1 ZINC001105352261 750466834 /nfs/dbraw/zinc/46/68/34/750466834.db2.gz SNRDULMMMKJINL-IAGOWNOFSA-N 1 2 345.447 0.693 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC000981275643 750520960 /nfs/dbraw/zinc/52/09/60/750520960.db2.gz CWXUVNRYUWXGNJ-AWEZNQCLSA-N 1 2 343.855 0.768 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC000981275643 750520961 /nfs/dbraw/zinc/52/09/61/750520961.db2.gz CWXUVNRYUWXGNJ-AWEZNQCLSA-N 1 2 343.855 0.768 20 30 ECEDLO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001005870246 750748341 /nfs/dbraw/zinc/74/83/41/750748341.db2.gz PFAJQBRPCVYCCD-LLVKDONJSA-N 1 2 326.360 0.360 20 30 ECEDLO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001005926855 750809298 /nfs/dbraw/zinc/80/92/98/750809298.db2.gz NAMWPZSPPZQFEH-LLVKDONJSA-N 1 2 340.387 0.819 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCNC3=O)CC2)cc1F ZINC000981746951 751066040 /nfs/dbraw/zinc/06/60/40/751066040.db2.gz SUKPENGAYVICKD-HNNXBMFYSA-N 1 2 344.390 0.868 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCNC3=O)CC2)cc1F ZINC000981746951 751066048 /nfs/dbraw/zinc/06/60/48/751066048.db2.gz SUKPENGAYVICKD-HNNXBMFYSA-N 1 2 344.390 0.868 20 30 ECEDLO Cn1nnc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)n1 ZINC000981780643 751101896 /nfs/dbraw/zinc/10/18/96/751101896.db2.gz ZUMMMEBUKYLRGF-UHFFFAOYSA-N 1 2 331.405 0.491 20 30 ECEDLO Cn1nnc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)n1 ZINC000981780643 751101899 /nfs/dbraw/zinc/10/18/99/751101899.db2.gz ZUMMMEBUKYLRGF-UHFFFAOYSA-N 1 2 331.405 0.491 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3cnccn3)C2)nn1 ZINC001105358222 751157439 /nfs/dbraw/zinc/15/74/39/751157439.db2.gz UHXVERVLKRAPCY-UHFFFAOYSA-N 1 2 339.403 0.197 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC000991609919 762102977 /nfs/dbraw/zinc/10/29/77/762102977.db2.gz FXUJFSPJVFWSSU-KGLIPLIRSA-N 1 2 334.420 0.253 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC000981865039 751215886 /nfs/dbraw/zinc/21/58/86/751215886.db2.gz LCPJBHLRJNHGGQ-UHFFFAOYSA-N 1 2 326.400 0.858 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC000981865039 751215889 /nfs/dbraw/zinc/21/58/89/751215889.db2.gz LCPJBHLRJNHGGQ-UHFFFAOYSA-N 1 2 326.400 0.858 20 30 ECEDLO CC#CC[N@@H+]1CCCC2(CN(C(=O)C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000981878642 751237807 /nfs/dbraw/zinc/23/78/07/751237807.db2.gz TZWOQPHCLZHKIU-OAHLLOKOSA-N 1 2 338.473 0.759 20 30 ECEDLO CC#CC[N@H+]1CCCC2(CN(C(=O)C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000981878642 751237810 /nfs/dbraw/zinc/23/78/10/751237810.db2.gz TZWOQPHCLZHKIU-OAHLLOKOSA-N 1 2 338.473 0.759 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCCOC)[C@H](OC)C1 ZINC001212006876 752399107 /nfs/dbraw/zinc/39/91/07/752399107.db2.gz MWZXZVPMYOTZRW-RBSFLKMASA-N 1 2 341.452 0.309 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCCOC)[C@H](OC)C1 ZINC001212006876 752399114 /nfs/dbraw/zinc/39/91/14/752399114.db2.gz MWZXZVPMYOTZRW-RBSFLKMASA-N 1 2 341.452 0.309 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)C#N)[C@H](OC)C1 ZINC001212045163 752438718 /nfs/dbraw/zinc/43/87/18/752438718.db2.gz HYZWHEDSIXOVKH-RBSFLKMASA-N 1 2 334.420 0.162 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](C)C#N)[C@H](OC)C1 ZINC001212045163 752438721 /nfs/dbraw/zinc/43/87/21/752438721.db2.gz HYZWHEDSIXOVKH-RBSFLKMASA-N 1 2 334.420 0.162 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](NC(=O)C2CC=CC2)[C@H](OC)C1 ZINC001212057783 752451105 /nfs/dbraw/zinc/45/11/05/752451105.db2.gz JHMBSMIRNLNHRF-HZPDHXFCSA-N 1 2 348.447 0.530 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](NC(=O)C2CC=CC2)[C@H](OC)C1 ZINC001212057783 752451110 /nfs/dbraw/zinc/45/11/10/752451110.db2.gz JHMBSMIRNLNHRF-HZPDHXFCSA-N 1 2 348.447 0.530 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3sccc3OC)C2)nn1 ZINC001105366570 752463759 /nfs/dbraw/zinc/46/37/59/752463759.db2.gz XNHDIGWZSFEUEH-UHFFFAOYSA-N 1 2 331.401 0.768 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3ccsc3C)[C@@H](O)C2)C1=O ZINC001083449885 752648475 /nfs/dbraw/zinc/64/84/75/752648475.db2.gz RNYSDRWPPWJPJO-KFWWJZLASA-N 1 2 349.456 0.618 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3ccsc3C)[C@@H](O)C2)C1=O ZINC001083449885 752648480 /nfs/dbraw/zinc/64/84/80/752648480.db2.gz RNYSDRWPPWJPJO-KFWWJZLASA-N 1 2 349.456 0.618 20 30 ECEDLO C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001075919852 752652292 /nfs/dbraw/zinc/65/22/92/752652292.db2.gz DUXFBAWKQQRGJI-KBPBESRZSA-N 1 2 334.420 0.659 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccncc2)[C@H](OC)C1 ZINC001211764253 752661888 /nfs/dbraw/zinc/66/18/88/752661888.db2.gz DVOSUVQJSKUSNU-NWANDNLSSA-N 1 2 332.404 0.201 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccncc2)[C@H](OC)C1 ZINC001211764253 752661891 /nfs/dbraw/zinc/66/18/91/752661891.db2.gz DVOSUVQJSKUSNU-NWANDNLSSA-N 1 2 332.404 0.201 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC2CCCC2)[C@H](OC)C1 ZINC001211787427 752736976 /nfs/dbraw/zinc/73/69/76/752736976.db2.gz JOKKRSYDQHOPGA-FVQBIDKESA-N 1 2 335.448 0.520 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC2CCCC2)[C@H](OC)C1 ZINC001211787427 752736980 /nfs/dbraw/zinc/73/69/80/752736980.db2.gz JOKKRSYDQHOPGA-FVQBIDKESA-N 1 2 335.448 0.520 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001021294074 752756168 /nfs/dbraw/zinc/75/61/68/752756168.db2.gz PICLCCVJFYKLDL-ZNMIVQPWSA-N 1 2 335.448 0.589 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001021294074 752756174 /nfs/dbraw/zinc/75/61/74/752756174.db2.gz PICLCCVJFYKLDL-ZNMIVQPWSA-N 1 2 335.448 0.589 20 30 ECEDLO N#Cc1nccc(N[C@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)n1 ZINC001058995707 752809189 /nfs/dbraw/zinc/80/91/89/752809189.db2.gz SSRQIPNCFOGTAD-STQMWFEESA-N 1 2 337.387 0.242 20 30 ECEDLO CCCn1nnnc1C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001028486650 752822022 /nfs/dbraw/zinc/82/20/22/752822022.db2.gz IPEFRAHSLXNELV-LBPRGKRZSA-N 1 2 342.407 0.535 20 30 ECEDLO CCCn1nnnc1C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001028486650 752822026 /nfs/dbraw/zinc/82/20/26/752822026.db2.gz IPEFRAHSLXNELV-LBPRGKRZSA-N 1 2 342.407 0.535 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cc(OC)ccc2OC)[C@@H](O)C1 ZINC001083458293 752866644 /nfs/dbraw/zinc/86/66/44/752866644.db2.gz GPUQIYRRAAQAQP-SVGFKBNWSA-N 1 2 344.411 0.602 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cc(OC)ccc2OC)[C@@H](O)C1 ZINC001083458293 752866653 /nfs/dbraw/zinc/86/66/53/752866653.db2.gz GPUQIYRRAAQAQP-SVGFKBNWSA-N 1 2 344.411 0.602 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccn(C3CCOCC3)n2)[C@@H](O)C1 ZINC001083460915 752890537 /nfs/dbraw/zinc/89/05/37/752890537.db2.gz FAWVPOCINYQCQH-CVEARBPZSA-N 1 2 332.404 0.033 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccn(C3CCOCC3)n2)[C@@H](O)C1 ZINC001083460915 752890543 /nfs/dbraw/zinc/89/05/43/752890543.db2.gz FAWVPOCINYQCQH-CVEARBPZSA-N 1 2 332.404 0.033 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(F)cc3F)C2)nn1 ZINC001105369394 752972859 /nfs/dbraw/zinc/97/28/59/752972859.db2.gz AXFUKAPKWNKEMW-UHFFFAOYSA-N 1 2 331.326 0.976 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3csnn3)C2)C1=O ZINC001008086617 753291084 /nfs/dbraw/zinc/29/10/84/753291084.db2.gz FMFBDAOMRQYFFN-DGCLKSJQSA-N 1 2 335.433 0.519 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3csnn3)C2)C1=O ZINC001008086617 753291087 /nfs/dbraw/zinc/29/10/87/753291087.db2.gz FMFBDAOMRQYFFN-DGCLKSJQSA-N 1 2 335.433 0.519 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC000991620424 762205346 /nfs/dbraw/zinc/20/53/46/762205346.db2.gz XXOPMQGPOCZJFZ-LSDHHAIUSA-N 1 2 348.447 0.643 20 30 ECEDLO Cn1nnc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001008216145 753474613 /nfs/dbraw/zinc/47/46/13/753474613.db2.gz VKRCSHYRIGFASG-SNVBAGLBSA-N 1 2 331.405 0.538 20 30 ECEDLO Cn1nnc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001008216145 753474622 /nfs/dbraw/zinc/47/46/22/753474622.db2.gz VKRCSHYRIGFASG-SNVBAGLBSA-N 1 2 331.405 0.538 20 30 ECEDLO Cn1nnc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)n1 ZINC001008216685 753475187 /nfs/dbraw/zinc/47/51/87/753475187.db2.gz YZATVSSVTKFEOS-AWEZNQCLSA-N 1 2 325.376 0.476 20 30 ECEDLO Cn1nnc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC001008216685 753475190 /nfs/dbraw/zinc/47/51/90/753475190.db2.gz YZATVSSVTKFEOS-AWEZNQCLSA-N 1 2 325.376 0.476 20 30 ECEDLO C=C(C)CCC(=O)N1CC[C@@H](n2cc(C[NH2+][C@H](C)C(=O)NC)nn2)C1 ZINC001098681906 753648169 /nfs/dbraw/zinc/64/81/69/753648169.db2.gz ZQQYYHMWDFKAKS-UKRRQHHQSA-N 1 2 348.451 0.632 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3nc(CC)c[nH]3)C2)nn1 ZINC001098682663 753682604 /nfs/dbraw/zinc/68/26/04/753682604.db2.gz CERFBOWVDQMWOC-HNNXBMFYSA-N 1 2 341.419 0.303 20 30 ECEDLO CN(CCN(C)c1nccnc1C#N)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001105492493 753729438 /nfs/dbraw/zinc/72/94/38/753729438.db2.gz OVPKYIVOVMUBCY-CYBMUJFWSA-N 1 2 339.403 0.702 20 30 ECEDLO CN(CCN(C)c1nccnc1C#N)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001105492494 753729520 /nfs/dbraw/zinc/72/95/20/753729520.db2.gz OVPKYIVOVMUBCY-ZDUSSCGKSA-N 1 2 339.403 0.702 20 30 ECEDLO O=C(C[C@@H]1CCOC1)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001083379865 753736314 /nfs/dbraw/zinc/73/63/14/753736314.db2.gz BWLQHLZLAXWRPX-JQHSSLGASA-N 1 2 346.402 0.765 20 30 ECEDLO O=C(C[C@@H]1CCOC1)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001083379865 753736316 /nfs/dbraw/zinc/73/63/16/753736316.db2.gz BWLQHLZLAXWRPX-JQHSSLGASA-N 1 2 346.402 0.765 20 30 ECEDLO O=C(C[C@@H]1CCOC1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083380468 753737341 /nfs/dbraw/zinc/73/73/41/753737341.db2.gz XODIZXFEOXJUKB-KSZLIROESA-N 1 2 328.412 0.626 20 30 ECEDLO O=C(C[C@@H]1CCOC1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083380468 753737344 /nfs/dbraw/zinc/73/73/44/753737344.db2.gz XODIZXFEOXJUKB-KSZLIROESA-N 1 2 328.412 0.626 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3CC3)C2)c1 ZINC001008469412 753773396 /nfs/dbraw/zinc/77/33/96/753773396.db2.gz RHUFYKNTCKTZAB-SUMWQHHRSA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)c1 ZINC001008469412 753773401 /nfs/dbraw/zinc/77/34/01/753773401.db2.gz RHUFYKNTCKTZAB-SUMWQHHRSA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+]([C@H](C)C(=O)NC3CC3)C2)c1 ZINC001008469409 753773419 /nfs/dbraw/zinc/77/34/19/753773419.db2.gz RHUFYKNTCKTZAB-CXAGYDPISA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)C(=O)NC3CC3)C2)c1 ZINC001008469409 753773425 /nfs/dbraw/zinc/77/34/25/753773425.db2.gz RHUFYKNTCKTZAB-CXAGYDPISA-N 1 2 340.427 0.924 20 30 ECEDLO CCc1onc(C)c1C[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001083390240 753776405 /nfs/dbraw/zinc/77/64/05/753776405.db2.gz IDTPNOKWFOASNE-CABCVRRESA-N 1 2 343.387 0.720 20 30 ECEDLO CCc1onc(C)c1C[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001083390240 753776407 /nfs/dbraw/zinc/77/64/07/753776407.db2.gz IDTPNOKWFOASNE-CABCVRRESA-N 1 2 343.387 0.720 20 30 ECEDLO Cc1ncsc1C[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001083392427 753793334 /nfs/dbraw/zinc/79/33/34/753793334.db2.gz HKJUMPBOKRIJPI-OLZOCXBDSA-N 1 2 331.401 0.626 20 30 ECEDLO Cc1ncsc1C[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001083392427 753793337 /nfs/dbraw/zinc/79/33/37/753793337.db2.gz HKJUMPBOKRIJPI-OLZOCXBDSA-N 1 2 331.401 0.626 20 30 ECEDLO COc1cc(C[N@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)ccn1 ZINC001083392490 753793632 /nfs/dbraw/zinc/79/36/32/753793632.db2.gz KZTNAIMDGZTIIG-CABCVRRESA-N 1 2 341.371 0.265 20 30 ECEDLO COc1cc(C[N@@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)ccn1 ZINC001083392490 753793637 /nfs/dbraw/zinc/79/36/37/753793637.db2.gz KZTNAIMDGZTIIG-CABCVRRESA-N 1 2 341.371 0.265 20 30 ECEDLO COCCN(CCNC(=O)Cc1[nH]c[nH+]c1C)c1ccncc1C#N ZINC001126394222 753924054 /nfs/dbraw/zinc/92/40/54/753924054.db2.gz ABVXEJZPRNCYCR-UHFFFAOYSA-N 1 2 342.403 0.797 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC001008614479 753959371 /nfs/dbraw/zinc/95/93/71/753959371.db2.gz XSWNWIRRFQFLJW-RDBSUJKOSA-N 1 2 346.431 0.897 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N(C)CCN(C)c1ccnc(C#N)n1 ZINC001105602182 754031181 /nfs/dbraw/zinc/03/11/81/754031181.db2.gz LUADLBSIEJMYEV-UHFFFAOYSA-N 1 2 340.387 0.889 20 30 ECEDLO C[C@@H](CCNC(=O)CSCC#N)NC(=O)CCCn1cc[nH+]c1 ZINC001075679048 754085277 /nfs/dbraw/zinc/08/52/77/754085277.db2.gz DKMUUXWIOGWUIC-ZDUSSCGKSA-N 1 2 337.449 0.931 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(C)ncn3)C2)nn1 ZINC001008794494 754125857 /nfs/dbraw/zinc/12/58/57/754125857.db2.gz MLRYWVUBMNDTHX-CQSZACIVSA-N 1 2 341.419 0.957 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(C)ncn3)C2)nn1 ZINC001008794494 754125859 /nfs/dbraw/zinc/12/58/59/754125859.db2.gz MLRYWVUBMNDTHX-CQSZACIVSA-N 1 2 341.419 0.957 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](Nc2cncc(C#N)n2)C1 ZINC001059070638 754224390 /nfs/dbraw/zinc/22/43/90/754224390.db2.gz QKMXBDVXFCTUTK-IACUBPJLSA-N 1 2 337.387 0.898 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C)c1 ZINC000989805826 754480357 /nfs/dbraw/zinc/48/03/57/754480357.db2.gz ZCMUBQQVMLYIRF-WBMJQRKESA-N 1 2 337.383 0.748 20 30 ECEDLO N#CCSCC(=O)NCC[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001060001937 754558740 /nfs/dbraw/zinc/55/87/40/754558740.db2.gz JTBMOUJQCDFBEV-AWEZNQCLSA-N 1 2 349.460 0.885 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3csnn3)C2)[nH]1 ZINC001051556162 762331611 /nfs/dbraw/zinc/33/16/11/762331611.db2.gz ROPWBZAINZWXQE-LBPRGKRZSA-N 1 2 332.389 0.369 20 30 ECEDLO C[C@H]([NH2+]C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1)c1csnn1 ZINC001051561778 762343158 /nfs/dbraw/zinc/34/31/58/762343158.db2.gz COBDCFROVIMSHX-GWCFXTLKSA-N 1 2 346.416 0.930 20 30 ECEDLO C[C@@H]([NH2+]C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1)c1csnn1 ZINC001051561782 762343400 /nfs/dbraw/zinc/34/34/00/762343400.db2.gz COBDCFROVIMSHX-MFKMUULPSA-N 1 2 346.416 0.930 20 30 ECEDLO Cn1ncc(C[N@@H+]2CC[C@]3(NC(=O)c4c[nH]c(C#N)c4)CCC[C@@H]23)n1 ZINC000990286810 754923327 /nfs/dbraw/zinc/92/33/27/754923327.db2.gz DZDVQJNJGCGWDJ-NVXWUHKLSA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1ncc(C[N@H+]2CC[C@]3(NC(=O)c4c[nH]c(C#N)c4)CCC[C@@H]23)n1 ZINC000990286810 754923330 /nfs/dbraw/zinc/92/33/30/754923330.db2.gz DZDVQJNJGCGWDJ-NVXWUHKLSA-N 1 2 339.403 0.942 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3nonc3C)C2)C1=O ZINC001009725274 755306313 /nfs/dbraw/zinc/30/63/13/755306313.db2.gz PZFZQTBCHWVXFW-QWHCGFSZSA-N 1 2 333.392 0.359 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3nonc3C)C2)C1=O ZINC001009725274 755306316 /nfs/dbraw/zinc/30/63/16/755306316.db2.gz PZFZQTBCHWVXFW-QWHCGFSZSA-N 1 2 333.392 0.359 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3nc(CC)no3)C2)nn1 ZINC001028852673 755311372 /nfs/dbraw/zinc/31/13/72/755311372.db2.gz LZGFQKDRMZCLPF-GFCCVEGCSA-N 1 2 345.407 0.661 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3nc(CC)no3)C2)nn1 ZINC001028852673 755311377 /nfs/dbraw/zinc/31/13/77/755311377.db2.gz LZGFQKDRMZCLPF-GFCCVEGCSA-N 1 2 345.407 0.661 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3nnc(C)o3)C2)nn1 ZINC001028852511 755311619 /nfs/dbraw/zinc/31/16/19/755311619.db2.gz KENYFHAFNAYCLJ-GFCCVEGCSA-N 1 2 331.380 0.407 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3nnc(C)o3)C2)nn1 ZINC001028852511 755311622 /nfs/dbraw/zinc/31/16/22/755311622.db2.gz KENYFHAFNAYCLJ-GFCCVEGCSA-N 1 2 331.380 0.407 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(C)(C)COC)C2)nn1 ZINC001098691169 755353747 /nfs/dbraw/zinc/35/37/47/755353747.db2.gz YKAYCSWWUNATIT-OAHLLOKOSA-N 1 2 333.436 0.837 20 30 ECEDLO COc1nc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)co1 ZINC001077458995 762392187 /nfs/dbraw/zinc/39/21/87/762392187.db2.gz NSPNZZDWPLIVLI-UKRRQHHQSA-N 1 2 342.355 0.530 20 30 ECEDLO COc1nc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)co1 ZINC001077458995 762392191 /nfs/dbraw/zinc/39/21/91/762392191.db2.gz NSPNZZDWPLIVLI-UKRRQHHQSA-N 1 2 342.355 0.530 20 30 ECEDLO N#Cc1cncc(NC[C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001060048003 755471692 /nfs/dbraw/zinc/47/16/92/755471692.db2.gz BWZOGSSGPPBRKP-GFCCVEGCSA-N 1 2 325.376 0.965 20 30 ECEDLO N#Cc1nccc(NC[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)n1 ZINC001060093807 756005679 /nfs/dbraw/zinc/00/56/79/756005679.db2.gz PDNVWFMYWNMJNU-GFCCVEGCSA-N 1 2 325.376 0.386 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCNC(=O)c1cc(C#N)c[nH]1 ZINC001076070899 756056482 /nfs/dbraw/zinc/05/64/82/756056482.db2.gz DDQNVWLHUKMOQD-JTQLQIEISA-N 1 2 328.376 0.785 20 30 ECEDLO C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001010688261 756399308 /nfs/dbraw/zinc/39/93/08/756399308.db2.gz IQGZJMKRRWDJBE-UKRRQHHQSA-N 1 2 343.431 0.949 20 30 ECEDLO C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001010688261 756399312 /nfs/dbraw/zinc/39/93/12/756399312.db2.gz IQGZJMKRRWDJBE-UKRRQHHQSA-N 1 2 343.431 0.949 20 30 ECEDLO Cn1oc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)cc1=O ZINC001010775251 756506579 /nfs/dbraw/zinc/50/65/79/756506579.db2.gz WUHPOEXBBYGYGD-OAHLLOKOSA-N 1 2 343.358 0.973 20 30 ECEDLO Cn1oc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)cc1=O ZINC001010775251 756506584 /nfs/dbraw/zinc/50/65/84/756506584.db2.gz WUHPOEXBBYGYGD-OAHLLOKOSA-N 1 2 343.358 0.973 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@H]32)cn1 ZINC001076476856 756563996 /nfs/dbraw/zinc/56/39/96/756563996.db2.gz FWANHXHLNVPZEK-GOEBONIOSA-N 1 2 347.440 0.254 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@H]32)cn1 ZINC001076476856 756563998 /nfs/dbraw/zinc/56/39/98/756563998.db2.gz FWANHXHLNVPZEK-GOEBONIOSA-N 1 2 347.440 0.254 20 30 ECEDLO Cn1cnc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC001010870558 756620532 /nfs/dbraw/zinc/62/05/32/756620532.db2.gz QCKKMFVDKUMGGR-HNNXBMFYSA-N 1 2 327.363 0.810 20 30 ECEDLO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC001010870558 756620535 /nfs/dbraw/zinc/62/05/35/756620535.db2.gz QCKKMFVDKUMGGR-HNNXBMFYSA-N 1 2 327.363 0.810 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](OC)C3CC3)C2)nn1 ZINC001098664074 756649037 /nfs/dbraw/zinc/64/90/37/756649037.db2.gz LTMLEMOUBCEVBQ-JKSUJKDBSA-N 1 2 331.420 0.589 20 30 ECEDLO Cc1nc(NC[C@@H](O)CNC(=O)CCCn2cc[nH+]c2)ccc1C#N ZINC001105893776 762490354 /nfs/dbraw/zinc/49/03/54/762490354.db2.gz GYTRYXKXQWXDKX-OAHLLOKOSA-N 1 2 342.403 0.828 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3nccc(C)n3)C2)nn1 ZINC001098665145 756769719 /nfs/dbraw/zinc/76/97/19/756769719.db2.gz ULFIPOMFZLLXCU-CQSZACIVSA-N 1 2 325.376 0.187 20 30 ECEDLO N#Cc1cc(C(=O)NC2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)c[nH]1 ZINC000990933101 756904265 /nfs/dbraw/zinc/90/42/65/756904265.db2.gz QXMUHPNOWKZOBV-LLVKDONJSA-N 1 2 338.371 0.286 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCO3)C2)cc1F ZINC001076716014 756910774 /nfs/dbraw/zinc/91/07/74/756910774.db2.gz BAWAVIXHRWDOPW-BZUAXINKSA-N 1 2 333.363 0.538 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCO3)C2)cc1F ZINC001076716014 756910776 /nfs/dbraw/zinc/91/07/76/756910776.db2.gz BAWAVIXHRWDOPW-BZUAXINKSA-N 1 2 333.363 0.538 20 30 ECEDLO CCCn1ncnc1C[N@H+]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 ZINC001048810409 757068380 /nfs/dbraw/zinc/06/83/80/757068380.db2.gz LSKXNBCRZZDUFB-IYBDPMFKSA-N 1 2 327.432 0.992 20 30 ECEDLO CCCn1ncnc1C[N@@H+]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 ZINC001048810409 757068389 /nfs/dbraw/zinc/06/83/89/757068389.db2.gz LSKXNBCRZZDUFB-IYBDPMFKSA-N 1 2 327.432 0.992 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001076792212 757137095 /nfs/dbraw/zinc/13/70/95/757137095.db2.gz RZRASOAQNLCGMC-NUEKZKHPSA-N 1 2 345.399 0.265 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001076792212 757137099 /nfs/dbraw/zinc/13/70/99/757137099.db2.gz RZRASOAQNLCGMC-NUEKZKHPSA-N 1 2 345.399 0.265 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O)[C@@H]1CCOC1 ZINC001076792688 757139448 /nfs/dbraw/zinc/13/94/48/757139448.db2.gz XZKCPBMXOBNIFG-DJIMGWMZSA-N 1 2 348.830 0.889 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O)[C@@H]1CCOC1 ZINC001076792688 757139451 /nfs/dbraw/zinc/13/94/51/757139451.db2.gz XZKCPBMXOBNIFG-DJIMGWMZSA-N 1 2 348.830 0.889 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)C3=CCOCC3)nn2)C1 ZINC001107160836 757184953 /nfs/dbraw/zinc/18/49/53/757184953.db2.gz LZYOWCYNRDTBRB-UHFFFAOYSA-N 1 2 347.419 0.300 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CCCCCC3)C2)C1=O ZINC001076802798 757186287 /nfs/dbraw/zinc/18/62/87/757186287.db2.gz TWUNWJMQZDDUPC-BRWVUGGUSA-N 1 2 349.475 0.905 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3CCCCCC3)C2)C1=O ZINC001076802798 757186292 /nfs/dbraw/zinc/18/62/92/757186292.db2.gz TWUNWJMQZDDUPC-BRWVUGGUSA-N 1 2 349.475 0.905 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccn(C)n3)C[C@@H]2C1 ZINC001048868682 757232416 /nfs/dbraw/zinc/23/24/16/757232416.db2.gz IOKXQAZQOKSVHH-JZXOWHBKSA-N 1 2 341.459 0.408 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccn(C)n3)C[C@@H]2C1 ZINC001048868682 757232421 /nfs/dbraw/zinc/23/24/21/757232421.db2.gz IOKXQAZQOKSVHH-JZXOWHBKSA-N 1 2 341.459 0.408 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](C)Cn3ccc(C)n3)nn2)C1 ZINC001107175642 757251924 /nfs/dbraw/zinc/25/19/24/757251924.db2.gz REWYUJPKKYZKDB-CYBMUJFWSA-N 1 2 343.435 0.778 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001011240571 757272671 /nfs/dbraw/zinc/27/26/71/757272671.db2.gz YHPYGMRMDAQQEV-NWDGAFQWSA-N 1 2 349.328 0.655 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001011240571 757272674 /nfs/dbraw/zinc/27/26/74/757272674.db2.gz YHPYGMRMDAQQEV-NWDGAFQWSA-N 1 2 349.328 0.655 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC001076823993 757275094 /nfs/dbraw/zinc/27/50/94/757275094.db2.gz SNHRNRSMQGWYSO-IAOVAPTHSA-N 1 2 329.400 0.646 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC001076823993 757275100 /nfs/dbraw/zinc/27/51/00/757275100.db2.gz SNHRNRSMQGWYSO-IAOVAPTHSA-N 1 2 329.400 0.646 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCOC2)C1 ZINC001076823994 757275157 /nfs/dbraw/zinc/27/51/57/757275157.db2.gz SNHRNRSMQGWYSO-KBRIMQKVSA-N 1 2 329.400 0.646 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCOC2)C1 ZINC001076823994 757275162 /nfs/dbraw/zinc/27/51/62/757275162.db2.gz SNHRNRSMQGWYSO-KBRIMQKVSA-N 1 2 329.400 0.646 20 30 ECEDLO C#CCC1(C(=O)NCc2cn(C3C[NH+](CCOC)C3)nn2)CCC1 ZINC001107178281 757332820 /nfs/dbraw/zinc/33/28/20/757332820.db2.gz QEKVUHLTYJRAOF-UHFFFAOYSA-N 1 2 331.420 0.591 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3cncn3C)nn2)C1 ZINC001107184459 757416809 /nfs/dbraw/zinc/41/68/09/757416809.db2.gz LIQXHBHYCOUCOO-UHFFFAOYSA-N 1 2 345.407 0.001 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](OCC)[C@H]3CCOC3)nn2)C1 ZINC001107189577 757425689 /nfs/dbraw/zinc/42/56/89/757425689.db2.gz CXKDFEXDVAAECS-BBRMVZONSA-N 1 2 349.435 0.379 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cccnc3)C2)s1 ZINC001076892445 757490033 /nfs/dbraw/zinc/49/00/33/757490033.db2.gz LZMVILZHLVJVOY-HZPDHXFCSA-N 1 2 342.424 0.919 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cccnc3)C2)s1 ZINC001076892445 757490035 /nfs/dbraw/zinc/49/00/35/757490035.db2.gz LZMVILZHLVJVOY-HZPDHXFCSA-N 1 2 342.424 0.919 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccc(C)o3)C2)C1=O ZINC001076900339 757540801 /nfs/dbraw/zinc/54/08/01/757540801.db2.gz JKYCAXOGEKTXFS-OWCLPIDISA-N 1 2 347.415 0.079 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccc(C)o3)C2)C1=O ZINC001076900339 757540807 /nfs/dbraw/zinc/54/08/07/757540807.db2.gz JKYCAXOGEKTXFS-OWCLPIDISA-N 1 2 347.415 0.079 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=CCOCC2)C1 ZINC001076920282 757598661 /nfs/dbraw/zinc/59/86/61/757598661.db2.gz ABJMDMHSEUYJQY-IAGOWNOFSA-N 1 2 327.384 0.566 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2=CCOCC2)C1 ZINC001076920282 757598667 /nfs/dbraw/zinc/59/86/67/757598667.db2.gz ABJMDMHSEUYJQY-IAGOWNOFSA-N 1 2 327.384 0.566 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cncnc3)C2)s1 ZINC001076934743 757662160 /nfs/dbraw/zinc/66/21/60/757662160.db2.gz VOZORMZFCXDSGV-HUUCEWRRSA-N 1 2 343.412 0.314 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cncnc3)C2)s1 ZINC001076934743 757662163 /nfs/dbraw/zinc/66/21/63/757662163.db2.gz VOZORMZFCXDSGV-HUUCEWRRSA-N 1 2 343.412 0.314 20 30 ECEDLO C=C1CC(C)(C(=O)NCc2cn(C3C[NH+](C[C@@H](O)COC)C3)nn2)C1 ZINC001107211508 757700887 /nfs/dbraw/zinc/70/08/87/757700887.db2.gz VFYPVYQTWXLDNP-OAHLLOKOSA-N 1 2 349.435 0.115 20 30 ECEDLO Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)nn1 ZINC001076979550 757792760 /nfs/dbraw/zinc/79/27/60/757792760.db2.gz PRLYJCMTIFYJRS-IAGOWNOFSA-N 1 2 337.383 0.632 20 30 ECEDLO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)nn1 ZINC001076979550 757792768 /nfs/dbraw/zinc/79/27/68/757792768.db2.gz PRLYJCMTIFYJRS-IAGOWNOFSA-N 1 2 337.383 0.632 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)Cc3nonc3C)nn2)C1 ZINC001107225858 757879098 /nfs/dbraw/zinc/87/90/98/757879098.db2.gz IFGXRCIJBYERMR-UHFFFAOYSA-N 1 2 331.380 0.261 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2csc([C@@H]3CCCO3)n2)C1 ZINC001077000590 757881770 /nfs/dbraw/zinc/88/17/70/757881770.db2.gz IEPBABQNSGKSDZ-BNOWGMLFSA-N 1 2 335.429 0.793 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2csc([C@@H]3CCCO3)n2)C1 ZINC001077000590 757881781 /nfs/dbraw/zinc/88/17/81/757881781.db2.gz IEPBABQNSGKSDZ-BNOWGMLFSA-N 1 2 335.429 0.793 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)Cc3cnn(CC)c3)nn2)C1 ZINC001107227439 757980452 /nfs/dbraw/zinc/98/04/52/757980452.db2.gz LGLHWYQYDUHLFP-UHFFFAOYSA-N 1 2 341.419 0.233 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nncn3C)C[C@@H]2C1 ZINC001049111464 757987799 /nfs/dbraw/zinc/98/77/99/757987799.db2.gz RNFLIUYNUADGEG-IVSAIRAKSA-N 1 2 345.447 0.687 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nncn3C)C[C@@H]2C1 ZINC001049111464 757987802 /nfs/dbraw/zinc/98/78/02/757987802.db2.gz RNFLIUYNUADGEG-IVSAIRAKSA-N 1 2 345.447 0.687 20 30 ECEDLO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)C[C@H]2C1 ZINC001049118460 758016600 /nfs/dbraw/zinc/01/66/00/758016600.db2.gz YARRTZOKNNVGIF-BETUJISGSA-N 1 2 342.403 0.038 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)C[C@H]2C1 ZINC001049118460 758016613 /nfs/dbraw/zinc/01/66/13/758016613.db2.gz YARRTZOKNNVGIF-BETUJISGSA-N 1 2 342.403 0.038 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CNC(=O)[C@H](C)CC)nn2)C1 ZINC001107235177 758021031 /nfs/dbraw/zinc/02/10/31/758021031.db2.gz CTYHWHSRUPGMOI-GFCCVEGCSA-N 1 2 334.424 0.099 20 30 ECEDLO C=CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001077065945 758078866 /nfs/dbraw/zinc/07/88/66/758078866.db2.gz CCKLRVJYJMTRQO-UONOGXRCSA-N 1 2 336.436 0.955 20 30 ECEDLO CC(C)(C)n1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001021948296 758090217 /nfs/dbraw/zinc/09/02/17/758090217.db2.gz NFXOROGANTXWSQ-TXEJJXNPSA-N 1 2 342.407 0.678 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001011650651 758211335 /nfs/dbraw/zinc/21/13/35/758211335.db2.gz LLBUNJGLQQLIQM-KGLIPLIRSA-N 1 2 346.431 0.949 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001011662648 758239605 /nfs/dbraw/zinc/23/96/05/758239605.db2.gz WNYCWJKSHOHPAG-ZWNOBZJWSA-N 1 2 326.360 0.571 20 30 ECEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC001077157261 758371452 /nfs/dbraw/zinc/37/14/52/758371452.db2.gz BCLOAQVYJKUYML-TVFCKZIOSA-N 1 2 328.412 0.949 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC001077157261 758371459 /nfs/dbraw/zinc/37/14/59/758371459.db2.gz BCLOAQVYJKUYML-TVFCKZIOSA-N 1 2 328.412 0.949 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2c(C)noc2C)C[C@H]1O ZINC001077158445 758373809 /nfs/dbraw/zinc/37/38/09/758373809.db2.gz GHGDQSHDPIWCFA-IXDOHACOSA-N 1 2 346.431 0.050 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2c(C)noc2C)C[C@H]1O ZINC001077158445 758373818 /nfs/dbraw/zinc/37/38/18/758373818.db2.gz GHGDQSHDPIWCFA-IXDOHACOSA-N 1 2 346.431 0.050 20 30 ECEDLO CC#CCCCC(=O)N(C)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC001049246662 758426002 /nfs/dbraw/zinc/42/60/02/758426002.db2.gz XUXAIUBOOJZBLX-KBPBESRZSA-N 1 2 332.404 0.176 20 30 ECEDLO N#Cc1nccc(NC/C=C\CNC(=O)[C@H]2CCc3[nH+]ccn3C2)n1 ZINC001107394752 758453055 /nfs/dbraw/zinc/45/30/55/758453055.db2.gz PBBBUMIOZVYQRL-FYDYADQUSA-N 1 2 337.387 0.314 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(F)CCCC3)C2)C1=O ZINC001077270293 758649532 /nfs/dbraw/zinc/64/95/32/758649532.db2.gz PRRREGNRBNMDAU-HZSPNIEDSA-N 1 2 339.411 0.217 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3(F)CCCC3)C2)C1=O ZINC001077270293 758649533 /nfs/dbraw/zinc/64/95/33/758649533.db2.gz PRRREGNRBNMDAU-HZSPNIEDSA-N 1 2 339.411 0.217 20 30 ECEDLO C=CCC1(C(=O)N(C)[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2O)CCC1 ZINC001049459119 758745046 /nfs/dbraw/zinc/74/50/46/758745046.db2.gz RBOUJFZAIOSISK-GJZGRUSLSA-N 1 2 346.431 0.660 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C34CCC(CC3)C4)[C@@H](O)C2)C1=O ZINC001083574191 758861584 /nfs/dbraw/zinc/86/15/84/758861584.db2.gz LJJYJPFZNXUQST-UGLNBPRTSA-N 1 2 347.459 0.515 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C34CCC(CC3)C4)[C@@H](O)C2)C1=O ZINC001083574191 758861595 /nfs/dbraw/zinc/86/15/95/758861595.db2.gz LJJYJPFZNXUQST-UGLNBPRTSA-N 1 2 347.459 0.515 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C3(F)CCCC3)[C@@H](O)C2)C1=O ZINC001083588548 759122209 /nfs/dbraw/zinc/12/22/09/759122209.db2.gz PRRREGNRBNMDAU-MCIONIFRSA-N 1 2 339.411 0.217 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C3(F)CCCC3)[C@@H](O)C2)C1=O ZINC001083588548 759122214 /nfs/dbraw/zinc/12/22/14/759122214.db2.gz PRRREGNRBNMDAU-MCIONIFRSA-N 1 2 339.411 0.217 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001012002945 759172908 /nfs/dbraw/zinc/17/29/08/759172908.db2.gz HWUUENJQZYPCEK-CVEARBPZSA-N 1 2 346.431 0.615 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CCS(=O)(=O)CC1 ZINC001049770467 759185647 /nfs/dbraw/zinc/18/56/47/759185647.db2.gz VEJYAXURNXOOEN-HZPDHXFCSA-N 1 2 338.473 0.900 20 30 ECEDLO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CCS(=O)(=O)CC1 ZINC001049770467 759185651 /nfs/dbraw/zinc/18/56/51/759185651.db2.gz VEJYAXURNXOOEN-HZPDHXFCSA-N 1 2 338.473 0.900 20 30 ECEDLO C#CCOCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001051687212 762691620 /nfs/dbraw/zinc/69/16/20/762691620.db2.gz VBFGEOURABSJLL-ZIAGYGMSSA-N 1 2 332.404 0.345 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C)cn1 ZINC001012009818 759192541 /nfs/dbraw/zinc/19/25/41/759192541.db2.gz YAMMYQTUFGZBJX-SWLSCSKDSA-N 1 2 337.383 0.748 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C)nn1 ZINC001012012655 759202711 /nfs/dbraw/zinc/20/27/11/759202711.db2.gz OYSCNTSKVLILRU-NWDGAFQWSA-N 1 2 343.391 0.149 20 30 ECEDLO Cc1nc(N(C)C[C@@H](O)CN(C)C(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001125030149 759478935 /nfs/dbraw/zinc/47/89/35/759478935.db2.gz QGJGYKPFCJODMV-CYBMUJFWSA-N 1 2 328.376 0.554 20 30 ECEDLO Cn1cc(C[N@@H+]2C[C@@H]3CCCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)nn1 ZINC001050008976 759545913 /nfs/dbraw/zinc/54/59/13/759545913.db2.gz JPBHAOFAOXPOTC-XJKSGUPXSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1cc(C[N@H+]2C[C@@H]3CCCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)nn1 ZINC001050008976 759545915 /nfs/dbraw/zinc/54/59/15/759545915.db2.gz JPBHAOFAOXPOTC-XJKSGUPXSA-N 1 2 339.403 0.751 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnn3cccc(Cl)c23)[C@@H](O)C1 ZINC001083626412 759600372 /nfs/dbraw/zinc/60/03/72/759600372.db2.gz VVKXLMHCXGCXCQ-KGLIPLIRSA-N 1 2 332.791 0.786 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnn3cccc(Cl)c23)[C@@H](O)C1 ZINC001083626412 759600375 /nfs/dbraw/zinc/60/03/75/759600375.db2.gz VVKXLMHCXGCXCQ-KGLIPLIRSA-N 1 2 332.791 0.786 20 30 ECEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cn(CCOC)nn3)cc2C1 ZINC001054264056 767881029 /nfs/dbraw/zinc/88/10/29/767881029.db2.gz REXCHDPEUGEPNT-UHFFFAOYSA-N 1 2 339.399 0.803 20 30 ECEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cn(CCOC)nn3)cc2C1 ZINC001054264056 767881036 /nfs/dbraw/zinc/88/10/36/767881036.db2.gz REXCHDPEUGEPNT-UHFFFAOYSA-N 1 2 339.399 0.803 20 30 ECEDLO C[C@H](NC(=O)CCc1c[nH]c[nH+]1)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001050105532 759713524 /nfs/dbraw/zinc/71/35/24/759713524.db2.gz XGCZQPGKEKNVPQ-QWHCGFSZSA-N 1 2 349.460 0.952 20 30 ECEDLO C[C@H](NC(=O)CCc1c[nH+]c[nH]1)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001050105532 759713529 /nfs/dbraw/zinc/71/35/29/759713529.db2.gz XGCZQPGKEKNVPQ-QWHCGFSZSA-N 1 2 349.460 0.952 20 30 ECEDLO C[C@H]1CN(C(=O)C#CC2CC2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000945316026 760067852 /nfs/dbraw/zinc/06/78/52/760067852.db2.gz ILEPNBLHTFCWGS-XJKSGUPXSA-N 1 2 328.416 0.729 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001012491017 760078494 /nfs/dbraw/zinc/07/84/94/760078494.db2.gz XXCRZEJBVWYERJ-PWSUYJOCSA-N 1 2 326.360 0.571 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001012498887 760099581 /nfs/dbraw/zinc/09/95/81/760099581.db2.gz ZXTXGTOBFMRSBM-GXFFZTMASA-N 1 2 326.360 0.571 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C)nn1 ZINC001012615844 760433924 /nfs/dbraw/zinc/43/39/24/760433924.db2.gz BFLCQVPJEUIBAJ-CHWSQXEVSA-N 1 2 343.391 0.080 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1nn(C)cc1Br ZINC001127046666 760464842 /nfs/dbraw/zinc/46/48/42/760464842.db2.gz UKCMFPJPHCSYSC-SNVBAGLBSA-N 1 2 343.225 0.427 20 30 ECEDLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC2(C1)CCN(CC#N)CC2 ZINC001050604031 760558670 /nfs/dbraw/zinc/55/86/70/760558670.db2.gz KJSMVKTUZJCRRL-MRXNPFEDSA-N 1 2 334.464 0.935 20 30 ECEDLO CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC2(C1)CCN(CC#N)CC2 ZINC001050604031 760558675 /nfs/dbraw/zinc/55/86/75/760558675.db2.gz KJSMVKTUZJCRRL-MRXNPFEDSA-N 1 2 334.464 0.935 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)c2cn(C)nc2CC)C1=O ZINC001038384586 760715456 /nfs/dbraw/zinc/71/54/56/760715456.db2.gz NYYDRWOGQRUHBS-CZUORRHYSA-N 1 2 345.447 0.574 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)c2cn(C)nc2CC)C1=O ZINC001038384586 760715461 /nfs/dbraw/zinc/71/54/61/760715461.db2.gz NYYDRWOGQRUHBS-CZUORRHYSA-N 1 2 345.447 0.574 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001050735634 760755886 /nfs/dbraw/zinc/75/58/86/760755886.db2.gz LQLWNMPHJOKZRA-KGLIPLIRSA-N 1 2 332.404 0.345 20 30 ECEDLO CC(C)Cn1ncnc1C[N@H+]1C[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C1 ZINC001048726624 761051530 /nfs/dbraw/zinc/05/15/30/761051530.db2.gz GGFOUZLWTIRMSL-KFWWJZLASA-N 1 2 330.436 0.984 20 30 ECEDLO CC(C)Cn1ncnc1C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C1 ZINC001048726624 761051537 /nfs/dbraw/zinc/05/15/37/761051537.db2.gz GGFOUZLWTIRMSL-KFWWJZLASA-N 1 2 330.436 0.984 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(=O)n4[nH]ccc4n3)C[C@@H]2C1 ZINC001048728294 761056845 /nfs/dbraw/zinc/05/68/45/761056845.db2.gz YVVTXROLWWQAGP-UPJWGTAASA-N 1 2 340.387 0.072 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3cc(=O)n4[nH]ccc4n3)C[C@@H]2C1 ZINC001048728294 761056852 /nfs/dbraw/zinc/05/68/52/761056852.db2.gz YVVTXROLWWQAGP-UPJWGTAASA-N 1 2 340.387 0.072 20 30 ECEDLO Cn1c[nH+]cc1CN1CCOC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001050880788 761063889 /nfs/dbraw/zinc/06/38/89/761063889.db2.gz XNMTXXVMNJFWAN-AWEZNQCLSA-N 1 2 328.376 0.251 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1OC ZINC001212143947 761123980 /nfs/dbraw/zinc/12/39/80/761123980.db2.gz WILPUHDXBREDDM-HZPDHXFCSA-N 1 2 335.448 0.618 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1OC ZINC001212143947 761123984 /nfs/dbraw/zinc/12/39/84/761123984.db2.gz WILPUHDXBREDDM-HZPDHXFCSA-N 1 2 335.448 0.618 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001050919339 761143116 /nfs/dbraw/zinc/14/31/16/761143116.db2.gz HSKLYROKDMKNAI-UKRRQHHQSA-N 1 2 347.419 0.156 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001050919339 761143121 /nfs/dbraw/zinc/14/31/21/761143121.db2.gz HSKLYROKDMKNAI-UKRRQHHQSA-N 1 2 347.419 0.156 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc2c(n1)OCCO2 ZINC001051002358 761314065 /nfs/dbraw/zinc/31/40/65/761314065.db2.gz CMZBZSKNVHPECU-CYBMUJFWSA-N 1 2 333.388 0.860 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc2c(n1)OCCO2 ZINC001051002358 761314073 /nfs/dbraw/zinc/31/40/73/761314073.db2.gz CMZBZSKNVHPECU-CYBMUJFWSA-N 1 2 333.388 0.860 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc2c(n1)OCCO2 ZINC001051002359 761314090 /nfs/dbraw/zinc/31/40/90/761314090.db2.gz CMZBZSKNVHPECU-ZDUSSCGKSA-N 1 2 333.388 0.860 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc2c(n1)OCCO2 ZINC001051002359 761314097 /nfs/dbraw/zinc/31/40/97/761314097.db2.gz CMZBZSKNVHPECU-ZDUSSCGKSA-N 1 2 333.388 0.860 20 30 ECEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@@H](COC)OC)CC2)C1 ZINC001105723889 761338362 /nfs/dbraw/zinc/33/83/62/761338362.db2.gz JJKUKPTXUKQHJE-MRXNPFEDSA-N 1 2 326.437 0.916 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@H]([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001051016741 761342654 /nfs/dbraw/zinc/34/26/54/761342654.db2.gz IIUSEYNYPHRTEU-KBPBESRZSA-N 1 2 334.420 0.898 20 30 ECEDLO CCNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001212154075 761438413 /nfs/dbraw/zinc/43/84/13/761438413.db2.gz BJKCPWKTYGIGOF-HZPDHXFCSA-N 1 2 344.415 0.400 20 30 ECEDLO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001212154075 761438417 /nfs/dbraw/zinc/43/84/17/761438417.db2.gz BJKCPWKTYGIGOF-HZPDHXFCSA-N 1 2 344.415 0.400 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C)nc1 ZINC001013469488 761456665 /nfs/dbraw/zinc/45/66/65/761456665.db2.gz MGHVTZHLGFJIAU-UKRRQHHQSA-N 1 2 337.383 0.679 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@@H]2C)cn1 ZINC001013471746 761460252 /nfs/dbraw/zinc/46/02/52/761460252.db2.gz WGQPOUOWOSVORX-BLLLJJGKSA-N 1 2 337.383 0.748 20 30 ECEDLO CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(C#N)[nH]2)C1=O ZINC001017484151 768051945 /nfs/dbraw/zinc/05/19/45/768051945.db2.gz YZLGGUKBJSPLLR-LZWOXQAQSA-N 1 2 341.415 0.796 20 30 ECEDLO CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(C#N)[nH]2)C1=O ZINC001017484151 768051950 /nfs/dbraw/zinc/05/19/50/768051950.db2.gz YZLGGUKBJSPLLR-LZWOXQAQSA-N 1 2 341.415 0.796 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCN1c1ccnc(C#N)n1 ZINC001051177117 761621135 /nfs/dbraw/zinc/62/11/35/761621135.db2.gz PMMQKDDIFXUILW-LPWJVIDDSA-N 1 2 337.387 0.958 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCN1c1ccnc(C#N)n1 ZINC001051177117 761621137 /nfs/dbraw/zinc/62/11/37/761621137.db2.gz PMMQKDDIFXUILW-LPWJVIDDSA-N 1 2 337.387 0.958 20 30 ECEDLO C[C@H](NC(=O)C#CC1CC1)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001051259305 761782675 /nfs/dbraw/zinc/78/26/75/761782675.db2.gz JNOREWVPWKBMCR-ZFWWWQNUSA-N 1 2 328.416 0.729 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C(N)=O)ccn1 ZINC001051272332 761803917 /nfs/dbraw/zinc/80/39/17/761803917.db2.gz BEFOBWYFBALCQX-AWEZNQCLSA-N 1 2 332.404 0.577 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C(N)=O)ccn1 ZINC001051272332 761803927 /nfs/dbraw/zinc/80/39/27/761803927.db2.gz BEFOBWYFBALCQX-AWEZNQCLSA-N 1 2 332.404 0.577 20 30 ECEDLO C=CCOCC(=O)N[C@H](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001051288180 761830519 /nfs/dbraw/zinc/83/05/19/761830519.db2.gz MKLVSUXJRJNIOX-CABCVRRESA-N 1 2 334.420 0.829 20 30 ECEDLO C#Cc1cncc(C(=O)NCc2cccc3c2CC[N@@H+](CC(N)=O)C3)c1 ZINC001051298886 761851158 /nfs/dbraw/zinc/85/11/58/761851158.db2.gz OLBWCTGKEKLXHZ-UHFFFAOYSA-N 1 2 348.406 0.836 20 30 ECEDLO C#Cc1cncc(C(=O)NCc2cccc3c2CC[N@H+](CC(N)=O)C3)c1 ZINC001051298886 761851173 /nfs/dbraw/zinc/85/11/73/761851173.db2.gz OLBWCTGKEKLXHZ-UHFFFAOYSA-N 1 2 348.406 0.836 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)CNc1ncc(C#N)cc1Cl ZINC001105920918 762776513 /nfs/dbraw/zinc/77/65/13/762776513.db2.gz SBYUVPNSHAOQAY-NSHDSACASA-N 1 2 348.794 0.770 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)Cn3nccn3)C2)c1 ZINC001014564590 762836074 /nfs/dbraw/zinc/83/60/74/762836074.db2.gz JMGXSQPDXOSMCP-CQSZACIVSA-N 1 2 328.351 0.680 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)Cn3nccn3)C2)c1 ZINC001014564590 762836081 /nfs/dbraw/zinc/83/60/81/762836081.db2.gz JMGXSQPDXOSMCP-CQSZACIVSA-N 1 2 328.351 0.680 20 30 ECEDLO N#Cc1cnc(NC[C@H](O)CNC(=O)Cc2[nH]cc[nH+]2)c(Cl)c1 ZINC001105937526 762936362 /nfs/dbraw/zinc/93/63/62/762936362.db2.gz OFCUCUIBEJGSMU-SNVBAGLBSA-N 1 2 334.767 0.461 20 30 ECEDLO N#Cc1c(F)cccc1N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001051790656 762973885 /nfs/dbraw/zinc/97/38/85/762973885.db2.gz XPMFXQLUMQUWQC-HOCLYGCPSA-N 1 2 343.362 0.719 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCO[C@H](C[NH2+]Cc3csnn3)C2)c1 ZINC001051817884 763034322 /nfs/dbraw/zinc/03/43/22/763034322.db2.gz WMUVSOYQYJBUDC-OAHLLOKOSA-N 1 2 343.412 0.545 20 30 ECEDLO C#CCOCCC(=O)NC[C@H](O)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001105965622 763095874 /nfs/dbraw/zinc/09/58/74/763095874.db2.gz FIQGHQFPDPETNY-AWEZNQCLSA-N 1 2 346.431 0.593 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCNC3=O)C2)c(F)c1 ZINC001014810486 763210860 /nfs/dbraw/zinc/21/08/60/763210860.db2.gz HMNRJAAYIQBQLP-CABCVRRESA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCCNC3=O)C2)c(F)c1 ZINC001014810486 763210867 /nfs/dbraw/zinc/21/08/67/763210867.db2.gz HMNRJAAYIQBQLP-CABCVRRESA-N 1 2 344.390 0.914 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@H](C)CCNc1[nH+]cnc2c1cnn2C ZINC001106305172 768118893 /nfs/dbraw/zinc/11/88/93/768118893.db2.gz VQHLJOGGDKSKLO-BDJLRTHQSA-N 1 2 332.408 0.997 20 30 ECEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2O)CC1 ZINC000991755372 763267316 /nfs/dbraw/zinc/26/73/16/763267316.db2.gz OSHQAYLNOJFRLW-JKSUJKDBSA-N 1 2 346.431 0.777 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NCC1=CCN(c2nccnc2C#N)CC1 ZINC001127674294 763275328 /nfs/dbraw/zinc/27/53/28/763275328.db2.gz HQXKGKCPPLVCIN-UHFFFAOYSA-N 1 2 337.387 0.875 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001014854418 763306586 /nfs/dbraw/zinc/30/65/86/763306586.db2.gz XUYZZFGAAMBTSH-FZMZJTMJSA-N 1 2 340.387 0.961 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001046936951 763420085 /nfs/dbraw/zinc/42/00/85/763420085.db2.gz ZBLPYGGHTGWAJW-ZJUUUORDSA-N 1 2 337.754 0.921 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001046936951 763420091 /nfs/dbraw/zinc/42/00/91/763420091.db2.gz ZBLPYGGHTGWAJW-ZJUUUORDSA-N 1 2 337.754 0.921 20 30 ECEDLO NC(=O)[C@H]1CC[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031896720 763426124 /nfs/dbraw/zinc/42/61/24/763426124.db2.gz JEXVHAPDXNCLMV-DLBZAZTESA-N 1 2 343.402 0.737 20 30 ECEDLO CN1C(=O)CC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031901506 763475587 /nfs/dbraw/zinc/47/55/87/763475587.db2.gz AOMQWMNYUICFRP-INIZCTEOSA-N 1 2 326.400 0.727 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C2)CC1 ZINC001051976740 763494374 /nfs/dbraw/zinc/49/43/74/763494374.db2.gz KBVLRWVPRDRTIS-CQSZACIVSA-N 1 2 329.404 0.038 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCOC3)C2)CC1 ZINC001051991823 763533694 /nfs/dbraw/zinc/53/36/94/763533694.db2.gz MGQOEBYUBCSNJD-CABCVRRESA-N 1 2 327.856 0.994 20 30 ECEDLO CCc1nc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)no1 ZINC001051997589 763546972 /nfs/dbraw/zinc/54/69/72/763546972.db2.gz DWXLNLYIRAFAGH-UONOGXRCSA-N 1 2 346.435 0.510 20 30 ECEDLO CCn1nncc1CN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001051998475 763551642 /nfs/dbraw/zinc/55/16/42/763551642.db2.gz UUUDGEALQVJKIR-CABCVRRESA-N 1 2 345.451 0.176 20 30 ECEDLO CCn1ccc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)n1 ZINC001051998484 763551701 /nfs/dbraw/zinc/55/17/01/763551701.db2.gz UXBJGHVSOVJHDR-NVXWUHKLSA-N 1 2 344.463 0.781 20 30 ECEDLO CC(C)Cc1nc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)c[nH]1 ZINC001052028062 763623446 /nfs/dbraw/zinc/62/34/46/763623446.db2.gz NKSBSQZAMHMOAY-HNNXBMFYSA-N 1 2 344.463 0.964 20 30 ECEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052028386 763624013 /nfs/dbraw/zinc/62/40/13/763624013.db2.gz PDEYXAYTMLUGLL-IKGGRYGDSA-N 1 2 334.464 0.790 20 30 ECEDLO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)c(C)nn1 ZINC001052033310 763636103 /nfs/dbraw/zinc/63/61/03/763636103.db2.gz OMJDICTWCDBWDL-OAHLLOKOSA-N 1 2 328.420 0.449 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C4CC4)n(C)n3)C2)CC1 ZINC001052035832 763645489 /nfs/dbraw/zinc/64/54/89/763645489.db2.gz QZEFPRFMYZAWMZ-INIZCTEOSA-N 1 2 341.459 0.763 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3CCC(=O)NC3)C2)CC1 ZINC001052036850 763650729 /nfs/dbraw/zinc/65/07/29/763650729.db2.gz WHSGEJAPQDVUJA-DLBZAZTESA-N 1 2 348.491 0.697 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)C(C)(C)C(N)=O)C2)CC1 ZINC001052040695 763664303 /nfs/dbraw/zinc/66/43/03/763664303.db2.gz FIXBXSVHWKSRGI-ZDUSSCGKSA-N 1 2 342.871 0.469 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3CCN(C)C3=O)C2)CC1 ZINC001052041215 763665440 /nfs/dbraw/zinc/66/54/40/763665440.db2.gz VYMUEIIMEVJDPW-IRXDYDNUSA-N 1 2 346.475 0.097 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cccc(C(N)=O)c3)C2)CC1 ZINC001052044762 763680433 /nfs/dbraw/zinc/68/04/33/763680433.db2.gz LUHRUEMENLNOMJ-KRWDZBQOSA-N 1 2 342.443 0.804 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001052045697 763684094 /nfs/dbraw/zinc/68/40/94/763684094.db2.gz SXQNFKHSOKWYJX-KBPBESRZSA-N 1 2 349.460 0.741 20 30 ECEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)[C@H]1CNC(=O)N1 ZINC001031939687 763690436 /nfs/dbraw/zinc/69/04/36/763690436.db2.gz GBKCEIDKXJKPED-OAHLLOKOSA-N 1 2 346.818 0.421 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(Cl)n(C)n3)C2)CC1 ZINC001052049741 763703589 /nfs/dbraw/zinc/70/35/89/763703589.db2.gz PJOZSXIJZAZOHR-CYBMUJFWSA-N 1 2 335.839 0.539 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(Cl)n(C)n3)C2)CC1 ZINC001052049741 763703595 /nfs/dbraw/zinc/70/35/95/763703595.db2.gz PJOZSXIJZAZOHR-CYBMUJFWSA-N 1 2 335.839 0.539 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(OC)nc3)C2)CC1 ZINC001052049807 763704110 /nfs/dbraw/zinc/70/41/10/763704110.db2.gz QHJDZNVQVIWGMK-KRWDZBQOSA-N 1 2 342.443 0.946 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C2)CC1 ZINC001052050799 763708586 /nfs/dbraw/zinc/70/85/86/763708586.db2.gz ZKXKVXKUCBRBIK-OAHLLOKOSA-N 1 2 343.431 0.131 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C2)CC1 ZINC001052050799 763708589 /nfs/dbraw/zinc/70/85/89/763708589.db2.gz ZKXKVXKUCBRBIK-OAHLLOKOSA-N 1 2 343.431 0.131 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnc(Cl)n3C)C2)CC1 ZINC001052052505 763715548 /nfs/dbraw/zinc/71/55/48/763715548.db2.gz OICCPFVXIRLCMU-CYBMUJFWSA-N 1 2 335.839 0.539 20 30 ECEDLO C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001015036346 763719945 /nfs/dbraw/zinc/71/99/45/763719945.db2.gz QMCFVQZMKOAWKG-GXTWGEPZSA-N 1 2 340.387 0.892 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cn(CC)nn3)C2)CC1 ZINC001052055541 763724945 /nfs/dbraw/zinc/72/49/45/763724945.db2.gz NRHDJQXTHFBIJT-QGZVFWFLSA-N 1 2 346.479 0.635 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCNC(=O)CC3)C2)CC1 ZINC001052056805 763728706 /nfs/dbraw/zinc/72/87/06/763728706.db2.gz HQVMHKFKYOEAEQ-IAGOWNOFSA-N 1 2 348.491 0.697 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cn(C(C)C)nn3)C2)nn1 ZINC001098757841 763732558 /nfs/dbraw/zinc/73/25/58/763732558.db2.gz SXOIWYUTPPMQDH-AWEZNQCLSA-N 1 2 342.407 0.261 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ncccn3)C2)nn1 ZINC001098757852 763733414 /nfs/dbraw/zinc/73/34/14/763733414.db2.gz TVVFXUGPRULIDZ-CQSZACIVSA-N 1 2 325.376 0.268 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)c1 ZINC001015042082 763734051 /nfs/dbraw/zinc/73/40/51/763734051.db2.gz HXTCJSKVCHZJIW-UKRRQHHQSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)c1 ZINC001015042082 763734056 /nfs/dbraw/zinc/73/40/56/763734056.db2.gz HXTCJSKVCHZJIW-UKRRQHHQSA-N 1 2 344.390 0.914 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CCC[C@@H](C)C3)C2)CC1 ZINC001052093474 763836654 /nfs/dbraw/zinc/83/66/54/763836654.db2.gz PKCTXMPVKRMWKR-SJORKVTESA-N 1 2 346.475 0.097 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)C(=O)N3CCC[C@@H](C)C3)C2)CC1 ZINC001052093474 763836664 /nfs/dbraw/zinc/83/66/64/763836664.db2.gz PKCTXMPVKRMWKR-SJORKVTESA-N 1 2 346.475 0.097 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnc4cccnn34)C2)CC1 ZINC001052094454 763839039 /nfs/dbraw/zinc/83/90/39/763839039.db2.gz SZWPNVCGCHSXOS-HNNXBMFYSA-N 1 2 338.415 0.195 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn(CC4CC4)nn3)C2)CC1 ZINC001052102341 763866082 /nfs/dbraw/zinc/86/60/82/763866082.db2.gz DXEMZKSUOHWNGQ-MRXNPFEDSA-N 1 2 344.463 0.706 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(OC)nn3)C2)CC1 ZINC001052105193 763875300 /nfs/dbraw/zinc/87/53/00/763875300.db2.gz HRAHKRIMCMUERK-OAHLLOKOSA-N 1 2 343.431 0.341 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@]3(C)CCN(C(C)=O)C3)C2)CC1 ZINC001052106271 763880668 /nfs/dbraw/zinc/88/06/68/763880668.db2.gz GXAOJAQMNQOPPW-IEBWSBKVSA-N 1 2 346.475 0.097 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCc4n[nH]cc4C3)C2)CC1 ZINC001052106969 763883051 /nfs/dbraw/zinc/88/30/51/763883051.db2.gz YFYCVVAKDKRUSP-RDJZCZTQSA-N 1 2 343.475 0.919 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn(CC)cn3)C2)CC1 ZINC001052108960 763892947 /nfs/dbraw/zinc/89/29/47/763892947.db2.gz UWVUYOGETCIPSI-MRXNPFEDSA-N 1 2 329.448 0.758 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3oncc3C)C2)nn1 ZINC001098761182 763897961 /nfs/dbraw/zinc/89/79/61/763897961.db2.gz BTBXRRJHMVJXFG-AWEZNQCLSA-N 1 2 328.376 0.775 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)CC1 ZINC001052109897 763898024 /nfs/dbraw/zinc/89/80/24/763898024.db2.gz JQBHTPXUWSAISG-KBPBESRZSA-N 1 2 340.855 0.236 20 30 ECEDLO CN(C(=O)[C@@H]1CCCO1)[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001047296175 763913442 /nfs/dbraw/zinc/91/34/42/763913442.db2.gz ZHIVBEPKGXSVOG-ULQDDVLXSA-N 1 2 347.390 0.880 20 30 ECEDLO CN(C(=O)[C@@H]1CCCO1)[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001047296175 763913447 /nfs/dbraw/zinc/91/34/47/763913447.db2.gz ZHIVBEPKGXSVOG-ULQDDVLXSA-N 1 2 347.390 0.880 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc4n[nH]nc4c3)C2)CC1 ZINC001052117166 763927363 /nfs/dbraw/zinc/92/73/63/763927363.db2.gz HXEVLVYBRZWLJH-OAHLLOKOSA-N 1 2 338.415 0.423 20 30 ECEDLO 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ZINC001053442625 766139901 /nfs/dbraw/zinc/13/99/01/766139901.db2.gz MLGVWUFKOVAZOB-CQSZACIVSA-N 1 2 346.435 0.115 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cn2)[C@@H](O)C1 ZINC001083685293 766155794 /nfs/dbraw/zinc/15/57/94/766155794.db2.gz NNRPDQMLIMXQTP-OLZOCXBDSA-N 1 2 327.306 0.899 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)cn2)[C@@H](O)C1 ZINC001083685293 766155797 /nfs/dbraw/zinc/15/57/97/766155797.db2.gz NNRPDQMLIMXQTP-OLZOCXBDSA-N 1 2 327.306 0.899 20 30 ECEDLO Cc1n[nH]cc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083686440 766218905 /nfs/dbraw/zinc/21/89/05/766218905.db2.gz RNHQYRCBMPOACI-CVEARBPZSA-N 1 2 325.372 0.565 20 30 ECEDLO Cc1n[nH]cc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083686440 766218907 /nfs/dbraw/zinc/21/89/07/766218907.db2.gz RNHQYRCBMPOACI-CVEARBPZSA-N 1 2 325.372 0.565 20 30 ECEDLO C=C1CCC(C(=O)NCC2(O)CN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001045768938 766346106 /nfs/dbraw/zinc/34/61/06/766346106.db2.gz UQDRVOPGBJRGTK-UHFFFAOYSA-N 1 2 346.431 0.709 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(F)c1 ZINC001031661590 766381100 /nfs/dbraw/zinc/38/11/00/766381100.db2.gz DASCSZSOFSSTIQ-UKRRQHHQSA-N 1 2 332.335 0.911 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnc(N(C)C)cn1)O2 ZINC001053601040 766410281 /nfs/dbraw/zinc/41/02/81/766410281.db2.gz YKYVZMANHYABHL-CYBMUJFWSA-N 1 2 331.420 0.692 20 30 ECEDLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CCCC2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212251314 766442188 /nfs/dbraw/zinc/44/21/88/766442188.db2.gz WPWWJJVOSOMKQI-IAOVAPTHSA-N 1 2 347.459 0.663 20 30 ECEDLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CCCC2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212251314 766442193 /nfs/dbraw/zinc/44/21/93/766442193.db2.gz WPWWJJVOSOMKQI-IAOVAPTHSA-N 1 2 347.459 0.663 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCc3nccn3C1)O2 ZINC001053618905 766447263 /nfs/dbraw/zinc/44/72/63/766447263.db2.gz FZSGOSLCLNGASH-GJZGRUSLSA-N 1 2 330.432 0.981 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCS(=O)(=O)C1)O2 ZINC001053670037 766548703 /nfs/dbraw/zinc/54/87/03/766548703.db2.gz KBMNHGMZBXKAHX-ZIAGYGMSSA-N 1 2 342.461 0.347 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCc3n[nH]nc3C1)O2 ZINC001053686052 766586414 /nfs/dbraw/zinc/58/64/14/766586414.db2.gz FQRKITUKKIRKIT-UONOGXRCSA-N 1 2 345.447 0.835 20 30 ECEDLO C=CCN1CC[C@@H](N2CC(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1=O ZINC001030936274 766616706 /nfs/dbraw/zinc/61/67/06/766616706.db2.gz PTNYTHUBISJHSW-UKRRQHHQSA-N 1 2 343.431 0.417 20 30 ECEDLO Cc1ccn(C[C@@H](C)C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)n1 ZINC001046032353 766704241 /nfs/dbraw/zinc/70/42/41/766704241.db2.gz BQCFTNGBKIWDEU-WBVHZDCISA-N 1 2 344.463 0.570 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)CCc3ccncn3)CC2)C1 ZINC001046034236 766713015 /nfs/dbraw/zinc/71/30/15/766713015.db2.gz QCQIWIFPTXSOHN-MRXNPFEDSA-N 1 2 328.420 0.151 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cnc4n3CCC4)CC2)C1 ZINC001046036406 766727077 /nfs/dbraw/zinc/72/70/77/766727077.db2.gz JCGFVGBHGVLKRN-AWEZNQCLSA-N 1 2 328.420 0.185 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cnc4n3CCC4)CC2)C1 ZINC001046036407 766727373 /nfs/dbraw/zinc/72/73/73/766727373.db2.gz JCGFVGBHGVLKRN-CQSZACIVSA-N 1 2 328.420 0.185 20 30 ECEDLO N#CCN1CC[C@H](N2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)C1 ZINC001046038346 766738438 /nfs/dbraw/zinc/73/84/38/766738438.db2.gz KVVXSNXKRLGHJL-HNNXBMFYSA-N 1 2 338.415 0.919 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cc4c[nH]ccc-4n3)CC2)C1 ZINC001046038346 766738441 /nfs/dbraw/zinc/73/84/41/766738441.db2.gz KVVXSNXKRLGHJL-HNNXBMFYSA-N 1 2 338.415 0.919 20 30 ECEDLO CC(C)(C)n1cc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)cn1 ZINC001046040532 766748337 /nfs/dbraw/zinc/74/83/37/766748337.db2.gz DIMOIOJDYNDJQL-INIZCTEOSA-N 1 2 344.463 0.994 20 30 ECEDLO CCc1cnccc1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046041800 766753754 /nfs/dbraw/zinc/75/37/54/766753754.db2.gz TXBAEXZJYYCDEI-INIZCTEOSA-N 1 2 327.432 1.000 20 30 ECEDLO CCc1cnccc1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046041801 766753796 /nfs/dbraw/zinc/75/37/96/766753796.db2.gz TXBAEXZJYYCDEI-MRXNPFEDSA-N 1 2 327.432 1.000 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)C3CCC(C(N)=O)CC3)CC2)C1 ZINC001046042392 766755349 /nfs/dbraw/zinc/75/53/49/766755349.db2.gz YTYYYGQRECPSEX-GPANFISMSA-N 1 2 347.463 0.020 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)C3(c4cccnc4)CC3)CC2)C1 ZINC001046054840 766802509 /nfs/dbraw/zinc/80/25/09/766802509.db2.gz CNKBCSFZJIXULT-KRWDZBQOSA-N 1 2 339.443 0.855 20 30 ECEDLO Cn1ncc(C[N@@H+]2CC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@H]32)n1 ZINC001042000219 782579441 /nfs/dbraw/zinc/57/94/41/782579441.db2.gz LHZYRNNXRHXITG-CZUORRHYSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1ncc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@H]32)n1 ZINC001042000219 782579447 /nfs/dbraw/zinc/57/94/47/782579447.db2.gz LHZYRNNXRHXITG-CZUORRHYSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1ncc(C[N@@H+]2CC[C@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)n1 ZINC001042000213 782579476 /nfs/dbraw/zinc/57/94/76/782579476.db2.gz LHZYRNNXRHXITG-BBRMVZONSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1ncc(C[N@H+]2CC[C@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)n1 ZINC001042000213 782579484 /nfs/dbraw/zinc/57/94/84/782579484.db2.gz LHZYRNNXRHXITG-BBRMVZONSA-N 1 2 339.403 0.751 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3ccc4c(c3)CCO4)CC2)C1 ZINC001046066247 766853826 /nfs/dbraw/zinc/85/38/26/766853826.db2.gz BFLDCHZWIRBSRU-KRWDZBQOSA-N 1 2 340.427 0.977 20 30 ECEDLO Cc1ncc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)c(C)n1 ZINC001046072372 766880563 /nfs/dbraw/zinc/88/05/63/766880563.db2.gz ZJQOELRQUHEORO-OAHLLOKOSA-N 1 2 328.420 0.449 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccnn1CC(F)F)CO2 ZINC001053801209 766884661 /nfs/dbraw/zinc/88/46/61/766884661.db2.gz HLCUFHQDAAJVKU-GFCCVEGCSA-N 1 2 338.358 0.745 20 30 ECEDLO Cn1nc2c(c1C(=O)N1CC[NH+]([C@@H]3CCN(CC#N)C3)CC1)CCC2 ZINC001046077237 766906653 /nfs/dbraw/zinc/90/66/53/766906653.db2.gz SUYPWTBLYZIIIY-CQSZACIVSA-N 1 2 342.447 0.264 20 30 ECEDLO C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)C1 ZINC001046081918 766920759 /nfs/dbraw/zinc/92/07/59/766920759.db2.gz LWCKWCCSUMQYHH-OAHLLOKOSA-N 1 2 338.415 0.423 20 30 ECEDLO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)C1 ZINC001046081918 766920760 /nfs/dbraw/zinc/92/07/60/766920760.db2.gz LWCKWCCSUMQYHH-OAHLLOKOSA-N 1 2 338.415 0.423 20 30 ECEDLO C[C@@H](C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1)N1CCCCC1=O ZINC001046086190 766928285 /nfs/dbraw/zinc/92/82/85/766928285.db2.gz MYLLUIUIXFGBKP-JKSUJKDBSA-N 1 2 347.463 0.129 20 30 ECEDLO C[C@H](C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1)C1CCOCC1 ZINC001046089909 766932009 /nfs/dbraw/zinc/93/20/09/766932009.db2.gz LDCGWBWAMMGLJA-RDJZCZTQSA-N 1 2 334.464 0.791 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)N1C(=O)CCC1=O)CO2 ZINC001053820783 766935661 /nfs/dbraw/zinc/93/56/61/766935661.db2.gz LTEFHKQBXZBPOQ-STQMWFEESA-N 1 2 335.404 0.060 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccnn1CCOC)CO2 ZINC001053839241 766985694 /nfs/dbraw/zinc/98/56/94/766985694.db2.gz ZZYSNSDCJKEYQL-CQSZACIVSA-N 1 2 334.420 0.679 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](Cc1nncn1C)CC2 ZINC001016833328 767013681 /nfs/dbraw/zinc/01/36/81/767013681.db2.gz QJIMHJYQBWJEPD-ILXRZTDVSA-N 1 2 345.447 0.877 20 30 ECEDLO C=C(C)CN1CC2(C1)C[C@@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)CO2 ZINC001053851743 767021954 /nfs/dbraw/zinc/02/19/54/767021954.db2.gz ZLIQFYXBKWHKSU-LSDHHAIUSA-N 1 2 330.432 0.981 20 30 ECEDLO C=C(C)CN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3c[nH+]cn3C1)CO2 ZINC001053853156 767025717 /nfs/dbraw/zinc/02/57/17/767025717.db2.gz XZOLTTCUSJSGQV-HUUCEWRRSA-N 1 2 330.432 0.981 20 30 ECEDLO CC#CCN1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)CO2 ZINC001053853042 767026160 /nfs/dbraw/zinc/02/61/60/767026160.db2.gz WCOJZLHNEQIFAI-LSDHHAIUSA-N 1 2 328.416 0.428 20 30 ECEDLO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(=O)c(OC)c[nH]1)CO2 ZINC001053872117 767094186 /nfs/dbraw/zinc/09/41/86/767094186.db2.gz SIBWOODQXGKYFL-ZDUSSCGKSA-N 1 2 347.415 0.923 20 30 ECEDLO CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001089713723 767111202 /nfs/dbraw/zinc/11/12/02/767111202.db2.gz WDOKLFUEZNQAAR-CYBMUJFWSA-N 1 2 327.392 0.966 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1nc([C@@H](C)OC)no1 ZINC001127605319 767143688 /nfs/dbraw/zinc/14/36/88/767143688.db2.gz XSIOTLLUBKPKSY-UPJWGTAASA-N 1 2 338.408 0.964 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1c[nH]nc1[C@@H]1CCOC1)CO2 ZINC001053881556 767150490 /nfs/dbraw/zinc/15/04/90/767150490.db2.gz LXZWYOBONVXOOA-KGLIPLIRSA-N 1 2 344.415 0.510 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001046372120 767177807 /nfs/dbraw/zinc/17/78/07/767177807.db2.gz ZGIJOQNRHNXKFK-LBPRGKRZSA-N 1 2 346.431 0.731 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c2)[C@H](OC)C1 ZINC001212311607 767199573 /nfs/dbraw/zinc/19/95/73/767199573.db2.gz RZGZRFJOZXHRTE-HUUCEWRRSA-N 1 2 347.419 0.206 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](NC(=O)c2cc[nH]c2)[C@H](OC)C1 ZINC001212311607 767199576 /nfs/dbraw/zinc/19/95/76/767199576.db2.gz RZGZRFJOZXHRTE-HUUCEWRRSA-N 1 2 347.419 0.206 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2ccnn2C(C)C)[C@H](OC)C1 ZINC001212322668 767216387 /nfs/dbraw/zinc/21/63/87/767216387.db2.gz FVFICTZQRSKBBH-GDBMZVCRSA-N 1 2 334.420 0.543 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2ccnn2C(C)C)[C@H](OC)C1 ZINC001212322668 767216388 /nfs/dbraw/zinc/21/63/88/767216388.db2.gz FVFICTZQRSKBBH-GDBMZVCRSA-N 1 2 334.420 0.543 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2C=CC=CC=C2)[C@H](OC)C1 ZINC001212340282 767265615 /nfs/dbraw/zinc/26/56/15/767265615.db2.gz IRYVCEVGHPAUTG-DJIMGWMZSA-N 1 2 343.427 0.238 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2C=CC=CC=C2)[C@H](OC)C1 ZINC001212340282 767265617 /nfs/dbraw/zinc/26/56/17/767265617.db2.gz IRYVCEVGHPAUTG-DJIMGWMZSA-N 1 2 343.427 0.238 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCc3nn[nH]c31)CO2 ZINC001053907799 767325932 /nfs/dbraw/zinc/32/59/32/767325932.db2.gz DNGIFICLCHIBKQ-OLZOCXBDSA-N 1 2 331.420 0.760 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1nnc3c1CCCC3)CO2 ZINC001053924363 767371737 /nfs/dbraw/zinc/37/17/37/767371737.db2.gz RIXUSELXWHTHFN-AWEZNQCLSA-N 1 2 343.431 0.140 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC(=O)N(CCC)C1)CO2 ZINC001053940588 767409668 /nfs/dbraw/zinc/40/96/68/767409668.db2.gz HWEHHJXXPNJAGO-GJZGRUSLSA-N 1 2 333.432 0.228 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3[nH]c(=O)[nH]c3c1)CO2 ZINC001053942556 767413938 /nfs/dbraw/zinc/41/39/38/767413938.db2.gz RINLXAMUXLXKTK-ZDUSSCGKSA-N 1 2 340.383 0.865 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nn(C)c(C)c1Cl)CO2 ZINC001053943761 767416295 /nfs/dbraw/zinc/41/62/95/767416295.db2.gz LGAYNCOYLNPJMX-GFCCVEGCSA-N 1 2 336.823 0.978 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc3cccnn31)CO2 ZINC001053949075 767430804 /nfs/dbraw/zinc/43/08/04/767430804.db2.gz XKTILJVWDMWUTL-CYBMUJFWSA-N 1 2 325.372 0.326 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2COC3(C[NH+]([C@@H](C)COC)C3)C2)nn1 ZINC001053949636 767432892 /nfs/dbraw/zinc/43/28/92/767432892.db2.gz MEEDBHCHYDMPEY-QWHCGFSZSA-N 1 2 335.408 0.072 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060463455 767485763 /nfs/dbraw/zinc/48/57/63/767485763.db2.gz WANVWLNHEKZVMZ-CXAGYDPISA-N 1 2 334.420 0.634 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2COC3(C[NH+]([C@@H](C)COC)C3)C2)cn1 ZINC001053984765 767533057 /nfs/dbraw/zinc/53/30/57/767533057.db2.gz DWOODAHKUNRTHA-BBRMVZONSA-N 1 2 329.400 0.671 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2COC3(C[NH+](C[C@@H](C)OC)C3)C2)cn1 ZINC001053985510 767534039 /nfs/dbraw/zinc/53/40/39/767534039.db2.gz SEVVQOHFUZDPND-CJNGLKHVSA-N 1 2 329.400 0.671 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2COC3(C[NH+](C[C@@H](C)OC)C3)C2)cn1 ZINC001053985511 767534698 /nfs/dbraw/zinc/53/46/98/767534698.db2.gz SEVVQOHFUZDPND-CZUORRHYSA-N 1 2 329.400 0.671 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnn(CCOC)c1)CO2 ZINC001053996401 767554144 /nfs/dbraw/zinc/55/41/44/767554144.db2.gz NFHLTZYBBSSKCJ-OAHLLOKOSA-N 1 2 332.404 0.126 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001017103335 767587004 /nfs/dbraw/zinc/58/70/04/767587004.db2.gz JTMORHSXWALWHF-AXVKAWJUSA-N 1 2 332.404 0.649 20 30 ECEDLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001017104173 767589113 /nfs/dbraw/zinc/58/91/13/767589113.db2.gz XBUGWIFEBMDIGF-UHFFFAOYSA-N 1 2 326.360 0.571 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc(C(=O)NC)c1)CO2 ZINC001054012922 767596479 /nfs/dbraw/zinc/59/64/79/767596479.db2.gz LAIZKCSWZVBWII-MRXNPFEDSA-N 1 2 341.411 0.643 20 30 ECEDLO C=CCOc1ccc(CC(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)cc1 ZINC001054017568 767609760 /nfs/dbraw/zinc/60/97/60/767609760.db2.gz FGVYPBBWYDOAMN-INIZCTEOSA-N 1 2 346.427 0.746 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc(COC)s1)CO2 ZINC001054023205 767620509 /nfs/dbraw/zinc/62/05/09/767620509.db2.gz VGWNFVZRHWROMS-LBPRGKRZSA-N 1 2 335.429 0.886 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc(COC)s1)CO2 ZINC001054023204 767620557 /nfs/dbraw/zinc/62/05/57/767620557.db2.gz VGWNFVZRHWROMS-GFCCVEGCSA-N 1 2 335.429 0.886 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc(OCC)cn1)CO2 ZINC001054023946 767622483 /nfs/dbraw/zinc/62/24/83/767622483.db2.gz DGMYVFJROPUVGQ-ZDUSSCGKSA-N 1 2 330.388 0.472 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1COCCN1C ZINC001054038231 767637010 /nfs/dbraw/zinc/63/70/10/767637010.db2.gz XQEDPXXNHXMLAH-MSOLQXFVSA-N 1 2 327.428 0.493 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1COCCN1C ZINC001054038231 767637015 /nfs/dbraw/zinc/63/70/15/767637015.db2.gz XQEDPXXNHXMLAH-MSOLQXFVSA-N 1 2 327.428 0.493 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001054048410 767646658 /nfs/dbraw/zinc/64/66/58/767646658.db2.gz AUGPYBVUXPQQDP-HZPDHXFCSA-N 1 2 326.400 0.186 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001054048410 767646660 /nfs/dbraw/zinc/64/66/60/767646660.db2.gz AUGPYBVUXPQQDP-HZPDHXFCSA-N 1 2 326.400 0.186 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC(C2(NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC001017144887 767648393 /nfs/dbraw/zinc/64/83/93/767648393.db2.gz BWMPCJDEXWOKLD-ZFWWWQNUSA-N 1 2 348.447 0.364 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC(C2(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC001017144887 767648397 /nfs/dbraw/zinc/64/83/97/767648397.db2.gz BWMPCJDEXWOKLD-ZFWWWQNUSA-N 1 2 348.447 0.364 20 30 ECEDLO CC1(C)CN(S(=O)(=O)Cc2csc(C#N)c2)CC[N@@H+]1CCO ZINC000914412260 767658104 /nfs/dbraw/zinc/65/81/04/767658104.db2.gz SRAFOQZTPCVUFN-UHFFFAOYSA-N 1 2 343.474 0.838 20 30 ECEDLO CC1(C)CN(S(=O)(=O)Cc2csc(C#N)c2)CC[N@H+]1CCO ZINC000914412260 767658107 /nfs/dbraw/zinc/65/81/07/767658107.db2.gz SRAFOQZTPCVUFN-UHFFFAOYSA-N 1 2 343.474 0.838 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C(N)=O)ccn1 ZINC001054060581 767658493 /nfs/dbraw/zinc/65/84/93/767658493.db2.gz BOJOUWMUKCNAQP-QGZVFWFLSA-N 1 2 348.406 0.970 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C(N)=O)ccn1 ZINC001054060581 767658500 /nfs/dbraw/zinc/65/85/00/767658500.db2.gz BOJOUWMUKCNAQP-QGZVFWFLSA-N 1 2 348.406 0.970 20 30 ECEDLO Cc1cc(C)c(C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)c(C)[nH+]1 ZINC001106183192 767735522 /nfs/dbraw/zinc/73/55/22/767735522.db2.gz SDTIHCRUFTVGJO-CQSZACIVSA-N 1 2 340.387 0.871 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C)C1 ZINC000993201997 768452518 /nfs/dbraw/zinc/45/25/18/768452518.db2.gz RJZIQOOEKHMEKF-BEFAXECRSA-N 1 2 340.427 0.981 20 30 ECEDLO C[C@@H](CCNc1ccnc(C#N)n1)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001106583447 768463042 /nfs/dbraw/zinc/46/30/42/768463042.db2.gz ZHJPXGWNEQTEME-RYUDHWBXSA-N 1 2 339.403 0.920 20 30 ECEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CNC(=O)N2)c1 ZINC001017867937 768491525 /nfs/dbraw/zinc/49/15/25/768491525.db2.gz QVADSIONKLSFCP-OWCLPIDISA-N 1 2 339.399 0.415 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CNC(=O)N2)c1 ZINC001017867937 768491530 /nfs/dbraw/zinc/49/15/30/768491530.db2.gz QVADSIONKLSFCP-OWCLPIDISA-N 1 2 339.399 0.415 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1 ZINC001055075153 768557525 /nfs/dbraw/zinc/55/75/25/768557525.db2.gz QASSZAUZIQJFFP-SNPRPXQTSA-N 1 2 337.387 0.848 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001055314294 768771274 /nfs/dbraw/zinc/77/12/74/768771274.db2.gz VLQUEVGVFZHWIL-GASCZTMLSA-N 1 2 344.415 0.299 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCCCC(=O)NC)C2)nn1 ZINC001098790600 768771639 /nfs/dbraw/zinc/77/16/39/768771639.db2.gz WQXSQSARLNCYSE-OAHLLOKOSA-N 1 2 346.435 0.081 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C1 ZINC001055327757 768785368 /nfs/dbraw/zinc/78/53/68/768785368.db2.gz ANDPRPUAVZDIKJ-IYBDPMFKSA-N 1 2 342.443 0.929 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000993344783 768818680 /nfs/dbraw/zinc/81/86/80/768818680.db2.gz PTNYYKZOTUONHI-AHIWAGSCSA-N 1 2 329.404 0.429 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C(=O)NC)n1 ZINC001018227099 768919764 /nfs/dbraw/zinc/91/97/64/768919764.db2.gz CGDOLNSVXFRVOG-OKILXGFUSA-N 1 2 326.400 0.753 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C(=O)NC)n1 ZINC001018227099 768919767 /nfs/dbraw/zinc/91/97/67/768919767.db2.gz CGDOLNSVXFRVOG-OKILXGFUSA-N 1 2 326.400 0.753 20 30 ECEDLO C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001018228700 768922681 /nfs/dbraw/zinc/92/26/81/768922681.db2.gz CFJUSQFCUHYUDW-TZMCWYRMSA-N 1 2 340.387 0.892 20 30 ECEDLO C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001018228756 768922803 /nfs/dbraw/zinc/92/28/03/768922803.db2.gz CXDBHKOGURUFQU-TZMCWYRMSA-N 1 2 340.387 0.892 20 30 ECEDLO C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001018240246 768947322 /nfs/dbraw/zinc/94/73/22/768947322.db2.gz VAJKDHOYNVECQU-JSGCOSHPSA-N 1 2 340.387 0.892 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3n[nH]nc3C)C2)CC1 ZINC001018369963 769224033 /nfs/dbraw/zinc/22/40/33/769224033.db2.gz OBDZTRTYYGRLBG-AWEZNQCLSA-N 1 2 346.435 0.296 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@]3(C)CCOC3)C2)CC1 ZINC001018376351 769246082 /nfs/dbraw/zinc/24/60/82/769246082.db2.gz SYHBGSWNEKHAOY-QFBILLFUSA-N 1 2 349.475 0.982 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)c2cocn2)C1 ZINC000993632968 769444847 /nfs/dbraw/zinc/44/48/47/769444847.db2.gz SEZUFXLABHWLHJ-IJLUTSLNSA-N 1 2 342.359 0.292 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CCCO[C@@H](C[NH2+]Cc3cnsn3)C2)c1 ZINC001078369287 782794210 /nfs/dbraw/zinc/79/42/10/782794210.db2.gz JDYBMDRMILZTEI-ZDUSSCGKSA-N 1 2 346.416 0.759 20 30 ECEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H]1C ZINC000994005174 769994448 /nfs/dbraw/zinc/99/44/48/769994448.db2.gz HFSRQPAGVPDHOT-DGCLKSJQSA-N 1 2 330.392 0.226 20 30 ECEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H]1C ZINC000994005174 769994458 /nfs/dbraw/zinc/99/44/58/769994458.db2.gz HFSRQPAGVPDHOT-DGCLKSJQSA-N 1 2 330.392 0.226 20 30 ECEDLO C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C[C@H]21 ZINC001042113875 782795875 /nfs/dbraw/zinc/79/58/75/782795875.db2.gz DVOYHODIFMRIHT-UKRRQHHQSA-N 1 2 336.457 0.367 20 30 ECEDLO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C[C@H]21 ZINC001042113875 782795883 /nfs/dbraw/zinc/79/58/83/782795883.db2.gz DVOYHODIFMRIHT-UKRRQHHQSA-N 1 2 336.457 0.367 20 30 ECEDLO C#Cc1ccccc1CC(=O)NC1C[NH+](C[C@@H]2CCc3ncnn32)C1 ZINC001031314240 770447357 /nfs/dbraw/zinc/44/73/57/770447357.db2.gz ORZRZJUUTMXSHA-KRWDZBQOSA-N 1 2 335.411 0.790 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001055997970 770500489 /nfs/dbraw/zinc/50/04/89/770500489.db2.gz KTFBJOYFBRZWKD-MAUKXSAKSA-N 1 2 348.447 0.955 20 30 ECEDLO CC(C)(C)C#CC(=O)N1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001055998321 770501642 /nfs/dbraw/zinc/50/16/42/770501642.db2.gz PVBOBIPDJLDILZ-GOSISDBHSA-N 1 2 346.431 0.402 20 30 ECEDLO C#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001056020526 770576832 /nfs/dbraw/zinc/57/68/32/770576832.db2.gz YEKYEFAFBJGRRX-GOSISDBHSA-N 1 2 346.431 0.236 20 30 ECEDLO C=CCCC(=O)N1CCC[C@](CO)(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001056041610 770649479 /nfs/dbraw/zinc/64/94/79/770649479.db2.gz DSZWINOSIJZPLZ-SFHVURJKSA-N 1 2 348.447 0.789 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@@H]1C ZINC000994381722 770699839 /nfs/dbraw/zinc/69/98/39/770699839.db2.gz YPRVTYQMYNAARU-NWDGAFQWSA-N 1 2 327.812 0.857 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@@H]1C ZINC000994381722 770699840 /nfs/dbraw/zinc/69/98/40/770699840.db2.gz YPRVTYQMYNAARU-NWDGAFQWSA-N 1 2 327.812 0.857 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N[C@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001056065843 770725787 /nfs/dbraw/zinc/72/57/87/770725787.db2.gz PMAIIMDXJWRHEC-CRAIPNDOSA-N 1 2 348.447 0.955 20 30 ECEDLO C#CCCCCC(=O)N1CCC[C@](CO)(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001056080589 770780786 /nfs/dbraw/zinc/78/07/86/770780786.db2.gz VRKFPJBPMSTDHO-SFHVURJKSA-N 1 2 346.431 0.616 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC3(C2)CCN(C(=O)Cn2cc[nH+]c2)C3)nc1 ZINC001019235576 771039345 /nfs/dbraw/zinc/03/93/45/771039345.db2.gz ZQVLQNPPTDFPAY-UHFFFAOYSA-N 1 2 349.394 0.634 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCC3(CN(C(=O)Cc4[nH]cc[nH+]4)C3)C2)[nH]1 ZINC001019333384 771170564 /nfs/dbraw/zinc/17/05/64/771170564.db2.gz UWBAVJWYAPFLPE-UHFFFAOYSA-N 1 2 338.371 0.527 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC3(CN(C(=O)Cc4[nH]cc[nH+]4)C3)C2)c1 ZINC001019335260 771174748 /nfs/dbraw/zinc/17/47/48/771174748.db2.gz VWTZYRJXENXGIE-UHFFFAOYSA-N 1 2 349.394 0.703 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056403729 771231567 /nfs/dbraw/zinc/23/15/67/771231567.db2.gz ZVENLCORWHCTIH-HZPDHXFCSA-N 1 2 344.415 0.584 20 30 ECEDLO N#CCSCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001056455257 771285840 /nfs/dbraw/zinc/28/58/40/771285840.db2.gz AZXUQHCWEWLVOO-KBPBESRZSA-N 1 2 347.444 0.732 20 30 ECEDLO N#CCSCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056527500 771355390 /nfs/dbraw/zinc/35/53/90/771355390.db2.gz RZWKXBYZWPFRJN-STQMWFEESA-N 1 2 347.444 0.801 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001060733812 771373190 /nfs/dbraw/zinc/37/31/90/771373190.db2.gz ZEGKLTGBONKGPW-JYJNAYRXSA-N 1 2 346.431 0.713 20 30 ECEDLO N#CCSCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056573880 771395278 /nfs/dbraw/zinc/39/52/78/771395278.db2.gz YZHZDAPPUMPLSX-KBPBESRZSA-N 1 2 347.444 0.801 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056574725 771395866 /nfs/dbraw/zinc/39/58/66/771395866.db2.gz KVZAMLPYTOYQPB-KBMXLJTQSA-N 1 2 344.415 0.582 20 30 ECEDLO C[C@H](C[C@H](C)Nc1ccnc(C#N)n1)NC(=O)CCc1[nH+]ccn1C ZINC001089523683 771398357 /nfs/dbraw/zinc/39/83/57/771398357.db2.gz IWUSJXPGOIWIJQ-QWHCGFSZSA-N 1 2 341.419 0.832 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]21 ZINC001056630414 771448867 /nfs/dbraw/zinc/44/88/67/771448867.db2.gz DEBRPBGSUBTHOD-GOEBONIOSA-N 1 2 346.431 0.913 20 30 ECEDLO N#Cc1cnc(N[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)cn1 ZINC001056726307 771560465 /nfs/dbraw/zinc/56/04/65/771560465.db2.gz YVWGZNCVCITBOX-QWHCGFSZSA-N 1 2 337.387 0.820 20 30 ECEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)[C@H]1COC(=O)N1 ZINC001031647676 771591777 /nfs/dbraw/zinc/59/17/77/771591777.db2.gz PQDHGIKQCRUVBH-OAHLLOKOSA-N 1 2 347.802 0.848 20 30 ECEDLO Cc1cc(C#N)nc(N(C)[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)n1 ZINC001056942187 771839701 /nfs/dbraw/zinc/83/97/01/771839701.db2.gz RSWVMMYZQOOXLZ-CQSZACIVSA-N 1 2 339.403 0.670 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](N(C)c2nccnc2C#N)C1 ZINC001056949831 771853550 /nfs/dbraw/zinc/85/35/50/771853550.db2.gz WOBCYPOGKFBQGD-LBPRGKRZSA-N 1 2 325.376 0.660 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](N(C)c2cnc(C#N)cn2)C1 ZINC001057047091 771992849 /nfs/dbraw/zinc/99/28/49/771992849.db2.gz OKBAHFRUYDNASU-WFASDCNBSA-N 1 2 339.403 0.987 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](N(C)c2cnc(C#N)cn2)C1 ZINC001057047091 771992852 /nfs/dbraw/zinc/99/28/52/771992852.db2.gz OKBAHFRUYDNASU-WFASDCNBSA-N 1 2 339.403 0.987 20 30 ECEDLO COCCc1nc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)no1 ZINC001020085094 772139335 /nfs/dbraw/zinc/13/93/35/772139335.db2.gz CCZAFNOIBRNQMN-HAQNSBGRSA-N 1 2 344.375 0.509 20 30 ECEDLO C#CCCCCC(=O)N(CCO)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001057390541 772559287 /nfs/dbraw/zinc/55/92/87/772559287.db2.gz FGTJWMPGCOJOMU-UHFFFAOYSA-N 1 2 334.420 0.473 20 30 ECEDLO C#CCCCCC(=O)N(CCO)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001057390541 772559289 /nfs/dbraw/zinc/55/92/89/772559289.db2.gz FGTJWMPGCOJOMU-UHFFFAOYSA-N 1 2 334.420 0.473 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(Nc2ccnc(C#N)n2)CC1 ZINC001057438330 772615238 /nfs/dbraw/zinc/61/52/38/772615238.db2.gz IBZSXOZNJVAJHR-LBPRGKRZSA-N 1 2 339.403 0.775 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(Nc2ccnc(C#N)n2)CC1 ZINC001057438330 772615239 /nfs/dbraw/zinc/61/52/39/772615239.db2.gz IBZSXOZNJVAJHR-LBPRGKRZSA-N 1 2 339.403 0.775 20 30 ECEDLO C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001057446552 772623251 /nfs/dbraw/zinc/62/32/51/772623251.db2.gz FHCGJOUAMMJLTC-OAHLLOKOSA-N 1 2 346.431 0.186 20 30 ECEDLO N#Cc1cncc(NCC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC001057511396 772701407 /nfs/dbraw/zinc/70/14/07/772701407.db2.gz BYJWHHVCUDKFJL-UHFFFAOYSA-N 1 2 325.376 0.965 20 30 ECEDLO CC(C)C#CC(=O)N(CCO)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001057524429 772716105 /nfs/dbraw/zinc/71/61/05/772716105.db2.gz FFVIVZUEXUFRDN-HNNXBMFYSA-N 1 2 334.420 0.431 20 30 ECEDLO CC(C)(C)C#CC(=O)N(CCO)CCNC(=O)CCn1cc[nH+]c1 ZINC001057540266 772735810 /nfs/dbraw/zinc/73/58/10/772735810.db2.gz MSDOEXXAFVKUAS-UHFFFAOYSA-N 1 2 334.420 0.260 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@H](Nc2nccnc2C#N)C1 ZINC001057672021 772898564 /nfs/dbraw/zinc/89/85/64/772898564.db2.gz ZKEXXXLMPPPFSC-LBPRGKRZSA-N 1 2 325.376 0.727 20 30 ECEDLO C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001057806960 773006306 /nfs/dbraw/zinc/00/63/06/773006306.db2.gz YQRNVYNJTWHHCW-HNNXBMFYSA-N 1 2 348.447 0.739 20 30 ECEDLO N#Cc1nccc(N2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)n1 ZINC001057971424 773312557 /nfs/dbraw/zinc/31/25/57/773312557.db2.gz KJFXXVHGWCOLPE-CHWSQXEVSA-N 1 2 337.387 0.960 20 30 ECEDLO N#Cc1nccc(N2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)n1 ZINC001057971424 773312565 /nfs/dbraw/zinc/31/25/65/773312565.db2.gz KJFXXVHGWCOLPE-CHWSQXEVSA-N 1 2 337.387 0.960 20 30 ECEDLO CC(C)C#CC(=O)NCCN(CCO)C(=O)c1cccc2[nH+]ccn21 ZINC001058081737 773497218 /nfs/dbraw/zinc/49/72/18/773497218.db2.gz VEMHIJYFYLFBIY-UHFFFAOYSA-N 1 2 342.399 0.544 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCN(c2nccnc2C#N)C1 ZINC001058181853 773719743 /nfs/dbraw/zinc/71/97/43/773719743.db2.gz KAMWZWQMHOHIKX-LBPRGKRZSA-N 1 2 325.376 0.708 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NCCN(CCO)C(=O)CCn1cc[nH+]c1 ZINC001058200351 773757750 /nfs/dbraw/zinc/75/77/50/773757750.db2.gz BPIWNAPZTAZKBX-KRWDZBQOSA-N 1 2 336.436 0.813 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NCCN(CCO)C(=O)CCn1cc[nH+]c1 ZINC001058200670 773758521 /nfs/dbraw/zinc/75/85/21/773758521.db2.gz PTVBIJUEZLHKOK-HNNXBMFYSA-N 1 2 336.436 0.813 20 30 ECEDLO N#Cc1cncc(N2CCC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC001058265354 773879504 /nfs/dbraw/zinc/87/95/04/773879504.db2.gz GREBARUGQVBAIW-IACUBPJLSA-N 1 2 337.387 0.960 20 30 ECEDLO N#Cc1cncc(N2CCC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)n1 ZINC001058265354 773879513 /nfs/dbraw/zinc/87/95/13/773879513.db2.gz GREBARUGQVBAIW-IACUBPJLSA-N 1 2 337.387 0.960 20 30 ECEDLO CC#CCCCC(=O)N(CCO)CCNC(=O)Cc1c[nH+]cn1C ZINC001058442740 774189805 /nfs/dbraw/zinc/18/98/05/774189805.db2.gz PCYAPTUSQVCSAL-UHFFFAOYSA-N 1 2 334.420 0.093 20 30 ECEDLO N#Cc1nccnc1N1CC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001058475019 774257697 /nfs/dbraw/zinc/25/76/97/774257697.db2.gz YGYUPXXBPXVIDN-QWHCGFSZSA-N 1 2 337.387 0.502 20 30 ECEDLO C#CCCCC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001039830977 783169887 /nfs/dbraw/zinc/16/98/87/783169887.db2.gz MVQFRUMUIOQBLT-KDOFPFPSSA-N 1 2 346.431 0.471 20 30 ECEDLO C#CCCCC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001039830977 783169891 /nfs/dbraw/zinc/16/98/91/783169891.db2.gz MVQFRUMUIOQBLT-KDOFPFPSSA-N 1 2 346.431 0.471 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 ZINC001039831398 783173035 /nfs/dbraw/zinc/17/30/35/783173035.db2.gz UJJBSRLXKWMPKC-FZKQIMNGSA-N 1 2 344.415 0.081 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 ZINC001039831398 783173037 /nfs/dbraw/zinc/17/30/37/783173037.db2.gz UJJBSRLXKWMPKC-FZKQIMNGSA-N 1 2 344.415 0.081 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N[C@H]2CCN(c3cncc(C#N)n3)C2)c[nH+]1 ZINC001058584163 774477352 /nfs/dbraw/zinc/47/73/52/774477352.db2.gz DUMVAKFNMXXKSJ-ZDUSSCGKSA-N 1 2 339.403 0.983 20 30 ECEDLO C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H](C)C1 ZINC001044777229 774600941 /nfs/dbraw/zinc/60/09/41/774600941.db2.gz QWTRBMUCXDWNCP-CHWSQXEVSA-N 1 2 344.419 0.616 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001045043675 774890320 /nfs/dbraw/zinc/89/03/20/774890320.db2.gz LUOZMWJMNMXBBD-MJBXVCDLSA-N 1 2 334.424 0.272 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001045064391 774920631 /nfs/dbraw/zinc/92/06/31/774920631.db2.gz QVYFCKPXEFPDNI-MGPQQGTHSA-N 1 2 346.431 0.805 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001045064391 774920636 /nfs/dbraw/zinc/92/06/36/774920636.db2.gz QVYFCKPXEFPDNI-MGPQQGTHSA-N 1 2 346.431 0.805 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001045069244 774928871 /nfs/dbraw/zinc/92/88/71/774928871.db2.gz QQVPVMFCWNLLRE-ZDUSSCGKSA-N 1 2 334.420 0.254 20 30 ECEDLO C=CCn1cc(C(=O)N(C)C2C[NH+](CCn3nc(C)cc3C)C2)nn1 ZINC001044022975 775535986 /nfs/dbraw/zinc/53/59/86/775535986.db2.gz WZZAFSBOOHFJDQ-UHFFFAOYSA-N 1 2 343.435 0.734 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2Cc3ccncc3C2)[C@@H](n2ccnn2)C1 ZINC001070025698 790368689 /nfs/dbraw/zinc/36/86/89/790368689.db2.gz FILRDWDJOXGSPS-UAGQMJEPSA-N 1 2 336.399 0.063 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2Cc3ccncc3C2)[C@@H](n2ccnn2)C1 ZINC001070025698 790368701 /nfs/dbraw/zinc/36/87/01/790368701.db2.gz FILRDWDJOXGSPS-UAGQMJEPSA-N 1 2 336.399 0.063 20 30 ECEDLO Cn1[nH]c(C[NH+]2CCC(C)(NC(=O)c3c[nH]c(C#N)c3)CC2)nc1=O ZINC001045411715 775558519 /nfs/dbraw/zinc/55/85/19/775558519.db2.gz QXVARHQIMNJALM-UHFFFAOYSA-N 1 2 343.391 0.093 20 30 ECEDLO C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001045458873 775641132 /nfs/dbraw/zinc/64/11/32/775641132.db2.gz PAJATQBWYYFHHV-CQSZACIVSA-N 1 2 346.431 0.491 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001044409501 776283901 /nfs/dbraw/zinc/28/39/01/776283901.db2.gz HRWBQIHNGRPCFN-CYBMUJFWSA-N 1 2 348.447 0.880 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001044409501 776283911 /nfs/dbraw/zinc/28/39/11/776283911.db2.gz HRWBQIHNGRPCFN-CYBMUJFWSA-N 1 2 348.447 0.880 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(COC)on2)[C@@H](n2ccnn2)C1 ZINC001070047968 790445867 /nfs/dbraw/zinc/44/58/67/790445867.db2.gz RWKIVZYPAVSEAR-KGLIPLIRSA-N 1 2 332.364 0.254 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(COC)on2)[C@@H](n2ccnn2)C1 ZINC001070047968 790445874 /nfs/dbraw/zinc/44/58/74/790445874.db2.gz RWKIVZYPAVSEAR-KGLIPLIRSA-N 1 2 332.364 0.254 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001079689338 776690433 /nfs/dbraw/zinc/69/04/33/776690433.db2.gz ASGAPNAXHCEULY-HBUWYVDXSA-N 1 2 346.431 0.900 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001079689338 776690440 /nfs/dbraw/zinc/69/04/40/776690440.db2.gz ASGAPNAXHCEULY-HBUWYVDXSA-N 1 2 346.431 0.900 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001079777661 776854531 /nfs/dbraw/zinc/85/45/31/776854531.db2.gz CKFKPCREXKVDJF-AWEZNQCLSA-N 1 2 332.404 0.371 20 30 ECEDLO CCN(C(=O)[C@@H](c1cccnc1)[NH+](C)C)C1CN(C(=O)[C@H](C)C#N)C1 ZINC001079938917 777114348 /nfs/dbraw/zinc/11/43/48/777114348.db2.gz YRXBRNJSPLPZFF-CZUORRHYSA-N 1 2 343.431 0.903 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc3c([nH]2)CCC3)[C@@H](n2ccnn2)C1 ZINC001070073291 790511342 /nfs/dbraw/zinc/51/13/42/790511342.db2.gz DEVMWDPBQDIDMD-SJORKVTESA-N 1 2 338.415 0.774 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc3c([nH]2)CCC3)[C@@H](n2ccnn2)C1 ZINC001070073291 790511351 /nfs/dbraw/zinc/51/13/51/790511351.db2.gz DEVMWDPBQDIDMD-SJORKVTESA-N 1 2 338.415 0.774 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)CCc2[nH+]ccn2C)C1 ZINC001080241872 777596684 /nfs/dbraw/zinc/59/66/84/777596684.db2.gz WCUYYKJHYPICME-GOSISDBHSA-N 1 2 348.447 0.739 20 30 ECEDLO CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001080415667 777819216 /nfs/dbraw/zinc/81/92/16/777819216.db2.gz AZJXDKDRWTUXOK-CHWSQXEVSA-N 1 2 329.404 0.664 20 30 ECEDLO Cc1nc(N(C)C)nc(N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)[nH+]1 ZINC001043169548 777872014 /nfs/dbraw/zinc/87/20/14/777872014.db2.gz LWTJMWGVLXEHEY-BXUZGUMPSA-N 1 2 328.420 0.918 20 30 ECEDLO C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1Nc1ccnc(C#N)n1 ZINC001043249230 778045874 /nfs/dbraw/zinc/04/58/74/778045874.db2.gz QQTWEMHMTTXMCE-VXGBXAGGSA-N 1 2 339.403 0.730 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1Nc1ccc(C#N)nn1 ZINC001043252912 778049087 /nfs/dbraw/zinc/04/90/87/778049087.db2.gz WDAVILJGVYUFCU-BXUZGUMPSA-N 1 2 325.376 0.583 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001043526323 778469972 /nfs/dbraw/zinc/46/99/72/778469972.db2.gz VWIGAJHNIFYCPD-STQMWFEESA-N 1 2 334.420 0.490 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001043526323 778469974 /nfs/dbraw/zinc/46/99/74/778469974.db2.gz VWIGAJHNIFYCPD-STQMWFEESA-N 1 2 334.420 0.490 20 30 ECEDLO C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001043619715 778605685 /nfs/dbraw/zinc/60/56/85/778605685.db2.gz OBMZKESWDCDGBJ-CYBMUJFWSA-N 1 2 332.404 0.101 20 30 ECEDLO C=CCCC(=O)N1CC2(C1)CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)O2 ZINC001068613587 790711262 /nfs/dbraw/zinc/71/12/62/790711262.db2.gz ZIPNHZRLWDIXFT-CYBMUJFWSA-N 1 2 332.404 0.795 20 30 ECEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)O1 ZINC001068620448 790729181 /nfs/dbraw/zinc/72/91/81/790729181.db2.gz MTDMFFYSTQAYKY-CHWSQXEVSA-N 1 2 345.403 0.378 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CC[C@H](CNC(=O)[C@H](C)C#N)O2 ZINC001068620945 790732010 /nfs/dbraw/zinc/73/20/10/790732010.db2.gz ULKBOJQVXUPGPP-DGCLKSJQSA-N 1 2 345.403 0.297 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001042826523 780897098 /nfs/dbraw/zinc/89/70/98/780897098.db2.gz KBADASAKAMVGAV-MRXNPFEDSA-N 1 2 334.420 0.634 20 30 ECEDLO CO[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001042861825 780956837 /nfs/dbraw/zinc/95/68/37/780956837.db2.gz SZAPUAIZYSXBRP-HUUCEWRRSA-N 1 2 340.387 0.249 20 30 ECEDLO CO[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001042872109 780971919 /nfs/dbraw/zinc/97/19/19/780971919.db2.gz IVOUVWYXEHFNSQ-UKRRQHHQSA-N 1 2 343.362 0.983 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@H](C)c2n[nH]c(CC)n2)C1 ZINC001042959808 781100857 /nfs/dbraw/zinc/10/08/57/781100857.db2.gz FDIIVPZAPWMCPY-HIFRSBDPSA-N 1 2 344.463 0.668 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@H](C)c2n[nH]c(CC)n2)C1 ZINC001042959808 781100862 /nfs/dbraw/zinc/10/08/62/781100862.db2.gz FDIIVPZAPWMCPY-HIFRSBDPSA-N 1 2 344.463 0.668 20 30 ECEDLO Cn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)[nH]c1=O ZINC001077624390 781371485 /nfs/dbraw/zinc/37/14/85/781371485.db2.gz IICDLDSBJJGAOK-DGCLKSJQSA-N 1 2 347.400 0.034 20 30 ECEDLO Cn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)[nH]c1=O ZINC001077624390 781371497 /nfs/dbraw/zinc/37/14/97/781371497.db2.gz IICDLDSBJJGAOK-DGCLKSJQSA-N 1 2 347.400 0.034 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)C[C@H]2O)CC1 ZINC001077626020 781377265 /nfs/dbraw/zinc/37/72/65/781377265.db2.gz QCXFMKTUVCASTR-DAXOMENPSA-N 1 2 335.448 0.561 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC3CC3)C[C@H]2O)CC1 ZINC001077626020 781377272 /nfs/dbraw/zinc/37/72/72/781377272.db2.gz QCXFMKTUVCASTR-DAXOMENPSA-N 1 2 335.448 0.561 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC[C@@H](C)C3)C[C@H]2O)C1 ZINC001077642110 781411204 /nfs/dbraw/zinc/41/12/04/781411204.db2.gz WXTJHPMKCQNEID-FVQBIDKESA-N 1 2 349.475 0.763 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC[C@@H](C)C3)C[C@H]2O)C1 ZINC001077642110 781411211 /nfs/dbraw/zinc/41/12/11/781411211.db2.gz WXTJHPMKCQNEID-FVQBIDKESA-N 1 2 349.475 0.763 20 30 ECEDLO CN(c1cncc(C#N)n1)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001068682958 790891208 /nfs/dbraw/zinc/89/12/08/790891208.db2.gz DQUPEKAISVNNKJ-UHFFFAOYSA-N 1 2 325.376 0.672 20 30 ECEDLO N#Cc1ccc(NC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CCCO2)nc1 ZINC001041509981 781667080 /nfs/dbraw/zinc/66/70/80/781667080.db2.gz GIPIHZZEQCSITD-CQSZACIVSA-N 1 2 340.387 0.948 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)CCc1[nH+]ccn1C ZINC001077792254 781706032 /nfs/dbraw/zinc/70/60/32/781706032.db2.gz SAAJNTNKMJXFCK-UONOGXRCSA-N 1 2 334.420 0.402 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2O)nn1 ZINC001077812720 781740297 /nfs/dbraw/zinc/74/02/97/781740297.db2.gz PUXALPDKHCIUEB-GDBMZVCRSA-N 1 2 342.403 0.224 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2O)nn1 ZINC001077812720 781740303 /nfs/dbraw/zinc/74/03/03/781740303.db2.gz PUXALPDKHCIUEB-GDBMZVCRSA-N 1 2 342.403 0.224 20 30 ECEDLO N#Cc1ccc(F)cc1CN1C[C@@H](O)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001077899765 781901536 /nfs/dbraw/zinc/90/15/36/781901536.db2.gz WFPRMJJGAWZMAF-HUUCEWRRSA-N 1 2 343.362 0.324 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040696835 783287277 /nfs/dbraw/zinc/28/72/77/783287277.db2.gz NQSARRZEGGIMSJ-DYVFJYSZSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)NC ZINC001039923474 783300347 /nfs/dbraw/zinc/30/03/47/783300347.db2.gz SRDMTVJXQLZAMT-RBZJEDDUSA-N 1 2 335.448 0.777 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)NC ZINC001039923474 783300357 /nfs/dbraw/zinc/30/03/57/783300357.db2.gz SRDMTVJXQLZAMT-RBZJEDDUSA-N 1 2 335.448 0.777 20 30 ECEDLO C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001040047725 783437495 /nfs/dbraw/zinc/43/74/95/783437495.db2.gz NVWAWUIJDCPFBB-HBUWYVDXSA-N 1 2 346.431 0.949 20 30 ECEDLO C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001040047725 783437499 /nfs/dbraw/zinc/43/74/99/783437499.db2.gz NVWAWUIJDCPFBB-HBUWYVDXSA-N 1 2 346.431 0.949 20 30 ECEDLO C=CCC1(C(=O)NC[C@@]2(O)CCN(C(=O)Cn3cc[nH+]c3)C2)CCC1 ZINC001040814664 783493408 /nfs/dbraw/zinc/49/34/08/783493408.db2.gz JFLRHPJODINSOZ-SFHVURJKSA-N 1 2 346.431 0.709 20 30 ECEDLO C=C1CC(C)(C(=O)NC[C@@]2(O)CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001040850242 783558221 /nfs/dbraw/zinc/55/82/21/783558221.db2.gz KJHFYGRLNHYMGR-SFHVURJKSA-N 1 2 346.431 0.778 20 30 ECEDLO C#CCCCCC(=O)NCC1(NC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001070219267 783682594 /nfs/dbraw/zinc/68/25/94/783682594.db2.gz IFNSHGVPPUTEMM-UHFFFAOYSA-N 1 2 346.431 0.927 20 30 ECEDLO C[C@H](C#N)C(=O)NC1(CNC(=O)CCc2c[nH]c[nH+]2)CCOCC1 ZINC001070233672 783710476 /nfs/dbraw/zinc/71/04/76/783710476.db2.gz BONZSHYXNVJDPX-GFCCVEGCSA-N 1 2 333.392 0.284 20 30 ECEDLO C[C@H](C#N)C(=O)NC1(CNC(=O)CCc2c[nH+]c[nH]2)CCOCC1 ZINC001070233672 783710483 /nfs/dbraw/zinc/71/04/83/783710483.db2.gz BONZSHYXNVJDPX-GFCCVEGCSA-N 1 2 333.392 0.284 20 30 ECEDLO C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(F)F)[nH]n2)C[C@@H]1n1ccnn1 ZINC001070272246 783773459 /nfs/dbraw/zinc/77/34/59/783773459.db2.gz DFWJLYNEMQNBKH-NEPJUHHUSA-N 1 2 335.318 0.227 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1COCCO1 ZINC001038056720 783802488 /nfs/dbraw/zinc/80/24/88/783802488.db2.gz DCTFMCUKAMJVIC-RDJZCZTQSA-N 1 2 345.399 0.673 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1COCCO1 ZINC001038056720 783802494 /nfs/dbraw/zinc/80/24/94/783802494.db2.gz DCTFMCUKAMJVIC-RDJZCZTQSA-N 1 2 345.399 0.673 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)c2ccc(C)n2C)C1=O ZINC001038059575 783806249 /nfs/dbraw/zinc/80/62/49/783806249.db2.gz AOXGNKWGZQXOFQ-GDBMZVCRSA-N 1 2 330.432 0.925 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)c2ccc(C)n2C)C1=O ZINC001038059575 783806257 /nfs/dbraw/zinc/80/62/57/783806257.db2.gz AOXGNKWGZQXOFQ-GDBMZVCRSA-N 1 2 330.432 0.925 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)c2cccc(C)n2)C1=O ZINC001038079917 783829067 /nfs/dbraw/zinc/82/90/67/783829067.db2.gz NKRLYKZNDIZSRN-HOCLYGCPSA-N 1 2 328.416 0.981 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)c2cccc(C)n2)C1=O ZINC001038079917 783829074 /nfs/dbraw/zinc/82/90/74/783829074.db2.gz NKRLYKZNDIZSRN-HOCLYGCPSA-N 1 2 328.416 0.981 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001038222346 784016194 /nfs/dbraw/zinc/01/61/94/784016194.db2.gz PMSMMWUPWCMNHU-ZIAGYGMSSA-N 1 2 344.371 0.366 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001038222346 784016200 /nfs/dbraw/zinc/01/62/00/784016200.db2.gz PMSMMWUPWCMNHU-ZIAGYGMSSA-N 1 2 344.371 0.366 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cnns2)C1 ZINC001070905658 784086900 /nfs/dbraw/zinc/08/69/00/784086900.db2.gz FNRIRUASXAPHBE-TUAOUCFPSA-N 1 2 349.416 0.444 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cnns2)C1 ZINC001070905658 784086904 /nfs/dbraw/zinc/08/69/04/784086904.db2.gz FNRIRUASXAPHBE-TUAOUCFPSA-N 1 2 349.416 0.444 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1cn(C)cn1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070444122 784093005 /nfs/dbraw/zinc/09/30/05/784093005.db2.gz IIFPWJRPMZSNFR-CYBMUJFWSA-N 1 2 339.403 0.021 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2n[nH]cc2C)C1 ZINC001070913619 784104679 /nfs/dbraw/zinc/10/46/79/784104679.db2.gz RIMNPRNTKKKKHX-MCIONIFRSA-N 1 2 345.403 0.624 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2n[nH]cc2C)C1 ZINC001070913619 784104681 /nfs/dbraw/zinc/10/46/81/784104681.db2.gz RIMNPRNTKKKKHX-MCIONIFRSA-N 1 2 345.403 0.624 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2n[nH]nc2C)C1 ZINC001070916770 784109836 /nfs/dbraw/zinc/10/98/36/784109836.db2.gz WQNOGOPSYABQPR-XQQFMLRXSA-N 1 2 346.391 0.019 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2n[nH]nc2C)C1 ZINC001070916770 784109838 /nfs/dbraw/zinc/10/98/38/784109838.db2.gz WQNOGOPSYABQPR-XQQFMLRXSA-N 1 2 346.391 0.019 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C(=O)C(C)(C)C)C1 ZINC001070921621 784119370 /nfs/dbraw/zinc/11/93/70/784119370.db2.gz GHUXFVQMDUJOMQ-CABCVRRESA-N 1 2 347.459 0.806 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C(=O)C(C)(C)C)C1 ZINC001070921621 784119377 /nfs/dbraw/zinc/11/93/77/784119377.db2.gz GHUXFVQMDUJOMQ-CABCVRRESA-N 1 2 347.459 0.806 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2cc[n+]([O-])cc2)CC1 ZINC001070936609 784159722 /nfs/dbraw/zinc/15/97/22/784159722.db2.gz OIDYPGUNDXWDBT-UHFFFAOYSA-N 1 2 332.404 0.160 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2cc[n+]([O-])cc2)CC1 ZINC001070936609 784159724 /nfs/dbraw/zinc/15/97/24/784159724.db2.gz OIDYPGUNDXWDBT-UHFFFAOYSA-N 1 2 332.404 0.160 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccnn2CCC)CC1 ZINC001070968053 784260014 /nfs/dbraw/zinc/26/00/14/784260014.db2.gz LVPRGEXISQUXPG-UHFFFAOYSA-N 1 2 333.436 0.743 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)c2ccnn2CCC)CC1 ZINC001070968053 784260024 /nfs/dbraw/zinc/26/00/24/784260024.db2.gz LVPRGEXISQUXPG-UHFFFAOYSA-N 1 2 333.436 0.743 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2ccnn2C)CC1 ZINC001070968317 784261229 /nfs/dbraw/zinc/26/12/29/784261229.db2.gz ZFZSWVIWFRWZFP-UHFFFAOYSA-N 1 2 333.436 0.189 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCc2ccnn2C)CC1 ZINC001070968317 784261234 /nfs/dbraw/zinc/26/12/34/784261234.db2.gz ZFZSWVIWFRWZFP-UHFFFAOYSA-N 1 2 333.436 0.189 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCO[C@H]2C(C)C)CC1 ZINC001070969423 784264179 /nfs/dbraw/zinc/26/41/79/784264179.db2.gz QHSFPXXLNGNKPP-RDJZCZTQSA-N 1 2 337.464 0.884 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCO[C@H]2C(C)C)CC1 ZINC001070969423 784264185 /nfs/dbraw/zinc/26/41/85/784264185.db2.gz QHSFPXXLNGNKPP-RDJZCZTQSA-N 1 2 337.464 0.884 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)c2cnn3ccncc23)CC1 ZINC001070970696 784270446 /nfs/dbraw/zinc/27/04/46/784270446.db2.gz SPDVFBAWBJLBJE-UHFFFAOYSA-N 1 2 342.403 0.179 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)c2cnn3ccncc23)CC1 ZINC001070970696 784270456 /nfs/dbraw/zinc/27/04/56/784270456.db2.gz SPDVFBAWBJLBJE-UHFFFAOYSA-N 1 2 342.403 0.179 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2ccncc2)CC1 ZINC001070976580 784293388 /nfs/dbraw/zinc/29/33/88/784293388.db2.gz IUWWDLKQXLMFPW-UHFFFAOYSA-N 1 2 330.432 0.851 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCc2ccncc2)CC1 ZINC001070976580 784293394 /nfs/dbraw/zinc/29/33/94/784293394.db2.gz IUWWDLKQXLMFPW-UHFFFAOYSA-N 1 2 330.432 0.851 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001070981370 784311177 /nfs/dbraw/zinc/31/11/77/784311177.db2.gz WOXNSTHATDKTSP-NMNMXBMNSA-N 1 2 333.432 0.246 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001070981370 784311183 /nfs/dbraw/zinc/31/11/83/784311183.db2.gz WOXNSTHATDKTSP-NMNMXBMNSA-N 1 2 333.432 0.246 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)COc2cccnc2)CC1 ZINC001071008286 784394568 /nfs/dbraw/zinc/39/45/68/784394568.db2.gz RJAYAYXKTCQSJK-UHFFFAOYSA-N 1 2 332.404 0.297 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)COc2cccnc2)CC1 ZINC001071008286 784394574 /nfs/dbraw/zinc/39/45/74/784394574.db2.gz RJAYAYXKTCQSJK-UHFFFAOYSA-N 1 2 332.404 0.297 20 30 ECEDLO C=C(Cl)CN1CCNC(=O)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001071010740 784403570 /nfs/dbraw/zinc/40/35/70/784403570.db2.gz VRBINDVNQFUAPA-UHFFFAOYSA-N 1 2 339.827 0.355 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001071016975 784427247 /nfs/dbraw/zinc/42/72/47/784427247.db2.gz ZTKMFIQDLLTEGL-CQSZACIVSA-N 1 2 332.404 0.110 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCc3c[nH]nc3C2)CC1 ZINC001071021810 784444050 /nfs/dbraw/zinc/44/40/50/784444050.db2.gz HKERFHSMLXDNRQ-CQSZACIVSA-N 1 2 345.447 0.351 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCc3c[nH]nc3C2)CC1 ZINC001071021810 784444056 /nfs/dbraw/zinc/44/40/56/784444056.db2.gz HKERFHSMLXDNRQ-CQSZACIVSA-N 1 2 345.447 0.351 20 30 ECEDLO C[C@@H](CC(=O)N1C[C@@H](c2cncn2C)[C@H](NCC#N)C1)n1cc[nH+]c1 ZINC001070696165 784564249 /nfs/dbraw/zinc/56/42/49/784564249.db2.gz FQKXWKPCHWBEST-RRFJBIMHSA-N 1 2 341.419 0.675 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ncccc2F)C[C@H]1NCC#N ZINC001070705240 784572884 /nfs/dbraw/zinc/57/28/84/784572884.db2.gz KMCABQHMFXEDDQ-DGCLKSJQSA-N 1 2 328.351 0.676 20 30 ECEDLO Cc1cc(=O)c(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)c[nH]1 ZINC001070707417 784575213 /nfs/dbraw/zinc/57/52/13/784575213.db2.gz QQLCNOILWXHCFV-ZIAGYGMSSA-N 1 2 340.387 0.138 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001070731500 784620205 /nfs/dbraw/zinc/62/02/05/784620205.db2.gz CCMXQCCSQJEZGR-UKRRQHHQSA-N 1 2 332.404 0.488 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001070731500 784620215 /nfs/dbraw/zinc/62/02/15/784620215.db2.gz CCMXQCCSQJEZGR-UKRRQHHQSA-N 1 2 332.404 0.488 20 30 ECEDLO C[N@@H+]1CCCC[C@H]1C(=O)NCc1nc([C@H]2C[C@H](F)CN2CC#N)n[nH]1 ZINC001070732630 784625615 /nfs/dbraw/zinc/62/56/15/784625615.db2.gz WXEMCJBLRKZKBG-RWMBFGLXSA-N 1 2 349.414 0.514 20 30 ECEDLO C[N@H+]1CCCC[C@H]1C(=O)NCc1nc([C@H]2C[C@H](F)CN2CC#N)n[nH]1 ZINC001070732630 784625622 /nfs/dbraw/zinc/62/56/22/784625622.db2.gz WXEMCJBLRKZKBG-RWMBFGLXSA-N 1 2 349.414 0.514 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1=NC(=O)N(C)C1)C[C@@H](C)O2 ZINC001071209312 784740906 /nfs/dbraw/zinc/74/09/06/784740906.db2.gz IAFYDVLVUJSTPU-CXAGYDPISA-N 1 2 332.404 0.454 20 30 ECEDLO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C1=NC(=O)N(C)C1)C[C@@H](C)O2 ZINC001071209312 784740915 /nfs/dbraw/zinc/74/09/15/784740915.db2.gz IAFYDVLVUJSTPU-CXAGYDPISA-N 1 2 332.404 0.454 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2CCC2)C1 ZINC001070900434 784807637 /nfs/dbraw/zinc/80/76/37/784807637.db2.gz MFOUPJPZRNRRKK-OAGGEKHMSA-N 1 2 331.416 0.916 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2CCC2)C1 ZINC001070900434 784807643 /nfs/dbraw/zinc/80/76/43/784807643.db2.gz MFOUPJPZRNRRKK-OAGGEKHMSA-N 1 2 331.416 0.916 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@H](C)SC)C2)C(=O)C1 ZINC001071255324 784849958 /nfs/dbraw/zinc/84/99/58/784849958.db2.gz KZMQNCPUXQEJAU-LSDHHAIUSA-N 1 2 337.489 0.896 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@H](C)SC)C2)C(=O)C1 ZINC001071255324 784849968 /nfs/dbraw/zinc/84/99/68/784849968.db2.gz KZMQNCPUXQEJAU-LSDHHAIUSA-N 1 2 337.489 0.896 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3n[nH]cc3C)C2)C(=O)C1 ZINC001071264331 784884180 /nfs/dbraw/zinc/88/41/80/784884180.db2.gz TZUHQPSSIWGMLL-HNNXBMFYSA-N 1 2 343.431 0.490 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3n[nH]cc3C)C2)C(=O)C1 ZINC001071264331 784884187 /nfs/dbraw/zinc/88/41/87/784884187.db2.gz TZUHQPSSIWGMLL-HNNXBMFYSA-N 1 2 343.431 0.490 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@H](OC)C3CC3)C2)C(=O)C1 ZINC001071264223 784884593 /nfs/dbraw/zinc/88/45/93/784884593.db2.gz QYFSMGLLFQXKMZ-SJLPKXTDSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@H](OC)C3CC3)C2)C(=O)C1 ZINC001071264223 784884596 /nfs/dbraw/zinc/88/45/96/784884596.db2.gz QYFSMGLLFQXKMZ-SJLPKXTDSA-N 1 2 347.459 0.570 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(=O)NC3CC3)C2)c1 ZINC001071814735 785146883 /nfs/dbraw/zinc/14/68/83/785146883.db2.gz KRSJTGREVARNQY-CXAGYDPISA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(=O)NC3CC3)C2)c1 ZINC001071814735 785146888 /nfs/dbraw/zinc/14/68/88/785146888.db2.gz KRSJTGREVARNQY-CXAGYDPISA-N 1 2 340.427 0.924 20 30 ECEDLO C=CCOCCCC(=O)N1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001071874455 785252508 /nfs/dbraw/zinc/25/25/08/785252508.db2.gz KBULJTOWKCVBAU-KBPBESRZSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CC[N@H+]1C[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC[C@@H]1C ZINC001071901049 785295267 /nfs/dbraw/zinc/29/52/67/785295267.db2.gz MYTGEJKTOYZAIT-NWDGAFQWSA-N 1 2 330.392 0.226 20 30 ECEDLO C=CC[N@@H+]1C[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC[C@@H]1C ZINC001071901049 785295276 /nfs/dbraw/zinc/29/52/76/785295276.db2.gz MYTGEJKTOYZAIT-NWDGAFQWSA-N 1 2 330.392 0.226 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CN2CCC(=O)NC2=O)CC[C@@H]1C ZINC001071969020 785439642 /nfs/dbraw/zinc/43/96/42/785439642.db2.gz YFOMKNYJVLZGNO-NWDGAFQWSA-N 1 2 342.827 0.650 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CN2CCC(=O)NC2=O)CC[C@@H]1C ZINC001071969020 785439647 /nfs/dbraw/zinc/43/96/47/785439647.db2.gz YFOMKNYJVLZGNO-NWDGAFQWSA-N 1 2 342.827 0.650 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CC[C@@H]1C ZINC001072069741 785616231 /nfs/dbraw/zinc/61/62/31/785616231.db2.gz LEAANJCVBGHGGX-QWRGUYRKSA-N 1 2 340.811 0.821 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CC[C@@H]1C ZINC001072069741 785616235 /nfs/dbraw/zinc/61/62/35/785616235.db2.gz LEAANJCVBGHGGX-QWRGUYRKSA-N 1 2 340.811 0.821 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](C)C1 ZINC001072094813 785659752 /nfs/dbraw/zinc/65/97/52/785659752.db2.gz WQMITAIPQJHSCJ-HOTGVXAUSA-N 1 2 346.431 0.666 20 30 ECEDLO C=CCCOCC(=O)N1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC001072340516 786045590 /nfs/dbraw/zinc/04/55/90/786045590.db2.gz VZBSBDLJHATHJT-ZFWWWQNUSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCCOCC(=O)N1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC001072340516 786045594 /nfs/dbraw/zinc/04/55/94/786045594.db2.gz VZBSBDLJHATHJT-ZFWWWQNUSA-N 1 2 334.420 0.898 20 30 ECEDLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1NC(=O)CSCC#N ZINC001072452968 786206863 /nfs/dbraw/zinc/20/68/63/786206863.db2.gz GDPKBMSZAIHVHJ-QWHCGFSZSA-N 1 2 335.433 0.493 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnc4[nH]cnc4c3)C[C@@H]21 ZINC001074259008 786533790 /nfs/dbraw/zinc/53/37/90/786533790.db2.gz GLSFFKOORMHWKD-HOTGVXAUSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnc4[nH]cnc4c3)C[C@@H]21 ZINC001074259008 786533797 /nfs/dbraw/zinc/53/37/97/786533797.db2.gz GLSFFKOORMHWKD-HOTGVXAUSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn4c(n3)COCC4)C[C@@H]21 ZINC001074279080 786575577 /nfs/dbraw/zinc/57/55/77/786575577.db2.gz FULIDAFIJRYCPG-JKSUJKDBSA-N 1 2 344.415 0.352 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn4c(n3)COCC4)C[C@@H]21 ZINC001074279080 786575583 /nfs/dbraw/zinc/57/55/83/786575583.db2.gz FULIDAFIJRYCPG-JKSUJKDBSA-N 1 2 344.415 0.352 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3nccn3C)C[C@@H]21 ZINC001074302093 786632864 /nfs/dbraw/zinc/63/28/64/786632864.db2.gz LDFSGSFSXLFIMQ-JKSUJKDBSA-N 1 2 330.432 0.678 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3nccn3C)C[C@@H]21 ZINC001074302093 786632871 /nfs/dbraw/zinc/63/28/71/786632871.db2.gz LDFSGSFSXLFIMQ-JKSUJKDBSA-N 1 2 330.432 0.678 20 30 ECEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)co3)C[C@H]21 ZINC001074339217 786705325 /nfs/dbraw/zinc/70/53/25/786705325.db2.gz RLFFJNHYQBXXJG-KGLIPLIRSA-N 1 2 333.388 0.870 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)co3)C[C@H]21 ZINC001074339217 786705333 /nfs/dbraw/zinc/70/53/33/786705333.db2.gz RLFFJNHYQBXXJG-KGLIPLIRSA-N 1 2 333.388 0.870 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3nnnc3C(C)C)C[C@@H]21 ZINC001074354134 786738673 /nfs/dbraw/zinc/73/86/73/786738673.db2.gz LIZWSTJJJAVKSM-LSDHHAIUSA-N 1 2 348.451 0.674 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3nnnc3C(C)C)C[C@@H]21 ZINC001074354134 786738677 /nfs/dbraw/zinc/73/86/77/786738677.db2.gz LIZWSTJJJAVKSM-LSDHHAIUSA-N 1 2 348.451 0.674 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(CC4CC4)nn3)C[C@@H]21 ZINC001074372586 786785741 /nfs/dbraw/zinc/78/57/41/786785741.db2.gz ZNVCMLRUHKDGJQ-DLBZAZTESA-N 1 2 343.431 0.627 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(CC4CC4)nn3)C[C@@H]21 ZINC001074372586 786785749 /nfs/dbraw/zinc/78/57/49/786785749.db2.gz ZNVCMLRUHKDGJQ-DLBZAZTESA-N 1 2 343.431 0.627 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3c(OC)cc[nH]c3=O)C[C@@H]21 ZINC001074384348 786818750 /nfs/dbraw/zinc/81/87/50/786818750.db2.gz FZRWFDFQUYQWBI-UONOGXRCSA-N 1 2 345.399 0.734 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c(OC)cc[nH]c3=O)C[C@@H]21 ZINC001074384348 786818758 /nfs/dbraw/zinc/81/87/58/786818758.db2.gz FZRWFDFQUYQWBI-UONOGXRCSA-N 1 2 345.399 0.734 20 30 ECEDLO C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC001073631854 786820209 /nfs/dbraw/zinc/82/02/09/786820209.db2.gz URIMWWVVMPTMKE-ZIAGYGMSSA-N 1 2 330.450 0.347 20 30 ECEDLO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC001073631854 786820215 /nfs/dbraw/zinc/82/02/15/786820215.db2.gz URIMWWVVMPTMKE-ZIAGYGMSSA-N 1 2 330.450 0.347 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3c(C)n[nH]c3C)C[C@H]21 ZINC001074405542 786879926 /nfs/dbraw/zinc/87/99/26/786879926.db2.gz STQHURMGZNLJGH-IAGOWNOFSA-N 1 2 330.432 0.894 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3c(C)n[nH]c3C)C[C@H]21 ZINC001074405542 786879936 /nfs/dbraw/zinc/87/99/36/786879936.db2.gz STQHURMGZNLJGH-IAGOWNOFSA-N 1 2 330.432 0.894 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)ccn3)C[C@H]21 ZINC001074416925 786917460 /nfs/dbraw/zinc/91/74/60/786917460.db2.gz FNSLCTVKPTZVCU-HZPDHXFCSA-N 1 2 342.399 0.119 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)ccn3)C[C@H]21 ZINC001074416925 786917463 /nfs/dbraw/zinc/91/74/63/786917463.db2.gz FNSLCTVKPTZVCU-HZPDHXFCSA-N 1 2 342.399 0.119 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1NC(=O)CSCC#N ZINC001073744886 787107867 /nfs/dbraw/zinc/10/78/67/787107867.db2.gz RQSQMCGTGPXTGA-OCCSQVGLSA-N 1 2 349.460 0.573 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)NCC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001074632085 787454270 /nfs/dbraw/zinc/45/42/70/787454270.db2.gz UDWPIPQYIAKZFU-GJZGRUSLSA-N 1 2 348.447 0.811 20 30 ECEDLO C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001073895796 787462814 /nfs/dbraw/zinc/46/28/14/787462814.db2.gz BLAHMDODPQJXEQ-UONOGXRCSA-N 1 2 330.450 0.347 20 30 ECEDLO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001073895796 787462819 /nfs/dbraw/zinc/46/28/19/787462819.db2.gz BLAHMDODPQJXEQ-UONOGXRCSA-N 1 2 330.450 0.347 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC001074038090 787737381 /nfs/dbraw/zinc/73/73/81/787737381.db2.gz CJLNMRNMTDQECQ-GJZGRUSLSA-N 1 2 334.420 0.829 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC001074090010 787853827 /nfs/dbraw/zinc/85/38/27/787853827.db2.gz KUCAGSVBLHOWGR-JSGCOSHPSA-N 1 2 334.420 0.816 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001075078952 788862818 /nfs/dbraw/zinc/86/28/18/788862818.db2.gz FUWGCGRBDGELEN-CABCVRRESA-N 1 2 346.431 0.498 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001075088875 788886349 /nfs/dbraw/zinc/88/63/49/788886349.db2.gz OGOSZECOAUVNRU-OCCSQVGLSA-N 1 2 334.420 0.959 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC3(C2)CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C3)C1 ZINC001072964289 789174224 /nfs/dbraw/zinc/17/42/24/789174224.db2.gz QWWMHWPEIOTOTI-UHFFFAOYSA-N 1 2 331.420 0.499 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC3(C2)CC[N@H+](Cc2nc(=O)n(C)[nH]2)C3)C1 ZINC001072964289 789174227 /nfs/dbraw/zinc/17/42/27/789174227.db2.gz QWWMHWPEIOTOTI-UHFFFAOYSA-N 1 2 331.420 0.499 20 30 ECEDLO C=CCO[C@H](C)C(=O)NC1(C)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001073129620 789493389 /nfs/dbraw/zinc/49/33/89/789493389.db2.gz FTDIKOPVKXMYRZ-CQSZACIVSA-N 1 2 334.420 0.972 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC1(C)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001073165098 789558225 /nfs/dbraw/zinc/55/82/25/789558225.db2.gz TVFBXOYOHQAARA-AWEZNQCLSA-N 1 2 346.431 0.498 20 30 ECEDLO CCn1nncc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC001075658789 789624591 /nfs/dbraw/zinc/62/45/91/789624591.db2.gz SVQWEEBJCHISKR-XJKSGUPXSA-N 1 2 339.403 0.844 20 30 ECEDLO CCn1nncc1C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC001075658789 789624594 /nfs/dbraw/zinc/62/45/94/789624594.db2.gz SVQWEEBJCHISKR-XJKSGUPXSA-N 1 2 339.403 0.844 20 30 ECEDLO N#Cc1cnc(N2CC[C@]3(NC(=O)Cc4[nH]cc[nH+]4)CCC[C@@H]23)cn1 ZINC001069270799 789721860 /nfs/dbraw/zinc/72/18/60/789721860.db2.gz HFACQRAVXQXXSE-CXAGYDPISA-N 1 2 337.387 0.932 20 30 ECEDLO CCC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN(C(=O)C#CC(C)C)CC1 ZINC001069360624 789770421 /nfs/dbraw/zinc/77/04/21/789770421.db2.gz ZFQOXWQNPDJOBK-INIZCTEOSA-N 1 2 349.475 0.864 20 30 ECEDLO CCC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN(C(=O)C#CC(C)C)CC1 ZINC001069360624 789770427 /nfs/dbraw/zinc/77/04/27/789770427.db2.gz ZFQOXWQNPDJOBK-INIZCTEOSA-N 1 2 349.475 0.864 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCCN1c1cncc(C#N)n1 ZINC001069378039 789785496 /nfs/dbraw/zinc/78/54/96/789785496.db2.gz JNEYOEGGQZPPLE-IUODEOHRSA-N 1 2 339.403 0.798 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC001073435962 789838445 /nfs/dbraw/zinc/83/84/45/789838445.db2.gz HMXXOUUMEMAHDF-OAHLLOKOSA-N 1 2 348.447 0.909 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC001073435961 789838493 /nfs/dbraw/zinc/83/84/93/789838493.db2.gz HMXXOUUMEMAHDF-HNNXBMFYSA-N 1 2 348.447 0.909 20 30 ECEDLO CC1(C)CN(C(=O)CSCC#N)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001073473288 789877467 /nfs/dbraw/zinc/87/74/67/789877467.db2.gz XOAGQGKMPBKPSC-GFCCVEGCSA-N 1 2 349.460 0.952 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC1(CC)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001069646765 789947677 /nfs/dbraw/zinc/94/76/77/789947677.db2.gz SBYZPSROSNEOBI-AWEZNQCLSA-N 1 2 346.431 0.878 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3cc[n+]([O-])cc3)c2C1 ZINC001069851473 790097273 /nfs/dbraw/zinc/09/72/73/790097273.db2.gz HYSFGISOORKRFI-UHFFFAOYSA-N 1 2 327.388 0.838 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3cc[n+]([O-])cc3)c2C1 ZINC001069851473 790097278 /nfs/dbraw/zinc/09/72/78/790097278.db2.gz HYSFGISOORKRFI-UHFFFAOYSA-N 1 2 327.388 0.838 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3ccc(=O)[nH]n3)c2C1 ZINC001069852539 790098642 /nfs/dbraw/zinc/09/86/42/790098642.db2.gz VWCYILYWJZCJGX-UHFFFAOYSA-N 1 2 328.376 0.700 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3ccc(=O)[nH]n3)c2C1 ZINC001069852539 790098648 /nfs/dbraw/zinc/09/86/48/790098648.db2.gz VWCYILYWJZCJGX-UHFFFAOYSA-N 1 2 328.376 0.700 20 30 ECEDLO C#CCN1CCn2ncc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)c2C1 ZINC001069874785 790136710 /nfs/dbraw/zinc/13/67/10/790136710.db2.gz VVIREQPSSNVSNQ-HUUCEWRRSA-N 1 2 338.415 0.485 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(F)nc2)[C@@H](n2ccnn2)C1 ZINC001069902540 790171307 /nfs/dbraw/zinc/17/13/07/790171307.db2.gz CEQONXQDWPVRTH-KGLIPLIRSA-N 1 2 328.351 0.491 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(F)nc2)[C@@H](n2ccnn2)C1 ZINC001069902540 790171310 /nfs/dbraw/zinc/17/13/10/790171310.db2.gz CEQONXQDWPVRTH-KGLIPLIRSA-N 1 2 328.351 0.491 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3cc[nH]c3n2)[C@@H](n2ccnn2)C1 ZINC001069950389 790230329 /nfs/dbraw/zinc/23/03/29/790230329.db2.gz RFICCYCORYFNDG-CABCVRRESA-N 1 2 335.371 0.443 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3cc[nH]c3n2)[C@@H](n2ccnn2)C1 ZINC001069950389 790230331 /nfs/dbraw/zinc/23/03/31/790230331.db2.gz RFICCYCORYFNDG-CABCVRRESA-N 1 2 335.371 0.443 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3cc[nH]c3n2)[C@@H](n2ccnn2)C1 ZINC001069952601 790233828 /nfs/dbraw/zinc/23/38/28/790233828.db2.gz VFUCYYYDIZLUOP-CVEARBPZSA-N 1 2 349.398 0.833 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc3cc[nH]c3n2)[C@@H](n2ccnn2)C1 ZINC001069952601 790233830 /nfs/dbraw/zinc/23/38/30/790233830.db2.gz VFUCYYYDIZLUOP-CVEARBPZSA-N 1 2 349.398 0.833 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](Nc2ccnc(C#N)n2)[C@H]1C ZINC001068871871 791315446 /nfs/dbraw/zinc/31/54/46/791315446.db2.gz BVXSZRJOILZNQI-NEPJUHHUSA-N 1 2 325.376 0.446 20 30 ECEDLO C[C@H]1C[C@@H](Nc2nccnc2C#N)CN1C(=O)Cc1c[nH+]cn1C ZINC001069121822 791722356 /nfs/dbraw/zinc/72/23/56/791722356.db2.gz LNSDRHCYAYCZBI-NWDGAFQWSA-N 1 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ZINC001067748855 792221505 /nfs/dbraw/zinc/22/15/05/792221505.db2.gz GXXUAERRNFBEDZ-KBPBESRZSA-N 1 2 344.419 0.106 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccnc(C#N)n1 ZINC001067748855 792221513 /nfs/dbraw/zinc/22/15/13/792221513.db2.gz GXXUAERRNFBEDZ-KBPBESRZSA-N 1 2 344.419 0.106 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1)c1ccc(C#N)nn1 ZINC001067749535 792224543 /nfs/dbraw/zinc/22/45/43/792224543.db2.gz STFVEZSNYFUKPI-LSDHHAIUSA-N 1 2 344.419 0.106 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1)c1ccc(C#N)nn1 ZINC001067749535 792224549 /nfs/dbraw/zinc/22/45/49/792224549.db2.gz STFVEZSNYFUKPI-LSDHHAIUSA-N 1 2 344.419 0.106 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1)c1ccnc(C#N)n1 ZINC001067772497 792262224 /nfs/dbraw/zinc/26/22/24/792262224.db2.gz VONUPAGPPKSXOZ-GFCCVEGCSA-N 1 2 325.376 0.741 20 30 ECEDLO N#Cc1cnc(N[C@@]2(CO)CCCN(C(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001066909143 792352108 /nfs/dbraw/zinc/35/21/08/792352108.db2.gz PMFIMJXHCRTUQA-INIZCTEOSA-N 1 2 341.375 0.010 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC1CC(CNc2nccnc2C#N)C1 ZINC001067860034 792386193 /nfs/dbraw/zinc/38/61/93/792386193.db2.gz HQZIZHZLUPCILS-UHFFFAOYSA-N 1 2 325.376 0.929 20 30 ECEDLO Cc1cc(C#N)nc(NCC2CC(NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001067890197 792431455 /nfs/dbraw/zinc/43/14/55/792431455.db2.gz SCSQXTKYEKUPCF-UHFFFAOYSA-N 1 2 325.376 0.929 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001067126319 792725824 /nfs/dbraw/zinc/72/58/24/792725824.db2.gz DEFKZKBXWFNNKW-MFKMUULPSA-N 1 2 325.376 0.303 20 30 ECEDLO C[C@@H](Nc1ccc(C#N)nc1)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001068245265 792925178 /nfs/dbraw/zinc/92/51/78/792925178.db2.gz JAVWSWKBGXGCCD-WBMJQRKESA-N 1 2 340.387 0.947 20 30 ECEDLO C[C@@H](Nc1ccncc1C#N)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001068246049 792926891 /nfs/dbraw/zinc/92/68/91/792926891.db2.gz SKSBFTQRZOIVQQ-MLGOLLRUSA-N 1 2 340.387 0.369 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N(C)CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001067292449 792946387 /nfs/dbraw/zinc/94/63/87/792946387.db2.gz NMBBMYCJVRABGF-KRWDZBQOSA-N 1 2 336.436 0.895 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001067299712 792958001 /nfs/dbraw/zinc/95/80/01/792958001.db2.gz HLYUROXXNUHZJF-AWEZNQCLSA-N 1 2 334.420 0.688 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(c2nccnc2C#N)C[C@H]1C ZINC001067407682 793110934 /nfs/dbraw/zinc/11/09/34/793110934.db2.gz JXGRIDYLKVEJHH-YPMHNXCESA-N 1 2 339.403 0.954 20 30 ECEDLO C[C@H]1CN(c2cncc(C#N)n2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067407293 793111445 /nfs/dbraw/zinc/11/14/45/793111445.db2.gz DXPOSVMAPKNWAI-AAEUAGOBSA-N 1 2 325.376 0.645 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)n1 ZINC001067408617 793114125 /nfs/dbraw/zinc/11/41/25/793114125.db2.gz VNSPNQATAKFADE-BXUZGUMPSA-N 1 2 339.403 0.954 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](C)C2)n1 ZINC001067440533 793163547 /nfs/dbraw/zinc/16/35/47/793163547.db2.gz MFELDUYIQNRZRE-ABAIWWIYSA-N 1 2 339.403 0.954 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CN(C(=O)Cn1cc[nH+]c1)CCO2 ZINC001068409333 793250801 /nfs/dbraw/zinc/25/08/01/793250801.db2.gz BQTGQOUVINBSTQ-HNNXBMFYSA-N 1 2 346.431 0.925 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CN(C(=O)Cn1cc[nH+]c1)CCO2 ZINC001068409831 793253535 /nfs/dbraw/zinc/25/35/35/793253535.db2.gz WMQVDLLXNFNABB-LSDHHAIUSA-N 1 2 346.431 0.781 20 30 ECEDLO C#CCCCC(=O)N1CC2(C1)CN(C(=O)Cc1[nH]c[nH+]c1C)CCO2 ZINC001068420426 793277973 /nfs/dbraw/zinc/27/79/73/793277973.db2.gz PNWOHSZGMPHPGH-UHFFFAOYSA-N 1 2 344.415 0.504 20 30 ECEDLO CC#CCCCC(=O)N1CCOC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001068436957 793312579 /nfs/dbraw/zinc/31/25/79/793312579.db2.gz VDAYTPCNOAOCBD-UHFFFAOYSA-N 1 2 344.415 0.586 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)CCO2 ZINC001068442041 793320616 /nfs/dbraw/zinc/32/06/16/793320616.db2.gz MTJFGXMBBLPMAS-UONOGXRCSA-N 1 2 346.431 0.850 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(CCC)C(=O)c2csnn2)C1 ZINC001267475033 837503009 /nfs/dbraw/zinc/50/30/09/837503009.db2.gz MHSHGTBHRLRSOZ-CHWSQXEVSA-N 1 2 349.460 0.603 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(CCC)C(=O)c2csnn2)C1 ZINC001267475033 837503016 /nfs/dbraw/zinc/50/30/16/837503016.db2.gz MHSHGTBHRLRSOZ-CHWSQXEVSA-N 1 2 349.460 0.603 20 30 ECEDLO CCCN(C(=O)Cn1nccc1C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267481308 837535591 /nfs/dbraw/zinc/53/55/91/837535591.db2.gz HRCPCJFKZVRHEX-HNNXBMFYSA-N 1 2 346.435 0.144 20 30 ECEDLO CCCN(C(=O)Cn1nccc1C)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267481308 837535598 /nfs/dbraw/zinc/53/55/98/837535598.db2.gz HRCPCJFKZVRHEX-HNNXBMFYSA-N 1 2 346.435 0.144 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)CC)c1 ZINC001267533118 837708429 /nfs/dbraw/zinc/70/84/29/837708429.db2.gz TVYHCCMDGGJKSY-CALCHBBNSA-N 1 2 340.427 0.830 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)CC)c1 ZINC001267533118 837708437 /nfs/dbraw/zinc/70/84/37/837708437.db2.gz TVYHCCMDGGJKSY-CALCHBBNSA-N 1 2 340.427 0.830 20 30 ECEDLO C=CCN1CC[NH+](CCN(C)C(=O)c2ccnc3c2ncn3C)CC1 ZINC001267574738 837823524 /nfs/dbraw/zinc/82/35/24/837823524.db2.gz RGUUGMKVNWDGGY-UHFFFAOYSA-N 1 2 342.447 0.844 20 30 ECEDLO C#CCN1CC[NH+](CCN(C)C(=O)c2cccnc2N(C)C)CC1 ZINC001267576398 837830809 /nfs/dbraw/zinc/83/08/09/837830809.db2.gz XJWPBJRSQOYLLZ-UHFFFAOYSA-N 1 2 329.448 0.470 20 30 ECEDLO C=CCCO[C@H](C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2nnnn2C)C1 ZINC001267577933 837833868 /nfs/dbraw/zinc/83/38/68/837833868.db2.gz GNDPFYNLTVVIMN-KGLIPLIRSA-N 1 2 336.440 0.472 20 30 ECEDLO C=CCCO[C@H](C)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2nnnn2C)C1 ZINC001267577933 837833881 /nfs/dbraw/zinc/83/38/81/837833881.db2.gz GNDPFYNLTVVIMN-KGLIPLIRSA-N 1 2 336.440 0.472 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H](C)Oc2ccccc2)C1 ZINC001266248309 835555004 /nfs/dbraw/zinc/55/50/04/835555004.db2.gz JKDQWQUVWZIBRA-HOTGVXAUSA-N 1 2 343.427 0.784 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)Oc2ccccc2)C1 ZINC001266248309 835555008 /nfs/dbraw/zinc/55/50/08/835555008.db2.gz JKDQWQUVWZIBRA-HOTGVXAUSA-N 1 2 343.427 0.784 20 30 ECEDLO CN(C)[C@H](C(=O)NCCC[NH+]1CCN(CC#N)CC1)c1ccccc1 ZINC001266277454 835603213 /nfs/dbraw/zinc/60/32/13/835603213.db2.gz ATXHBQOHQHGQMZ-SFHVURJKSA-N 1 2 343.475 0.937 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(CCNC(=O)C2CC(C)C2)CC1 ZINC001266283136 835613600 /nfs/dbraw/zinc/61/36/00/835613600.db2.gz FWDRHYUWLIZSAX-PCKAHOCUSA-N 1 2 336.480 0.457 20 30 ECEDLO C#CCCCCC(=O)NCC[NH+]1CCN(Cc2cnn(C)n2)CC1 ZINC001266283575 835614721 /nfs/dbraw/zinc/61/47/21/835614721.db2.gz RMTDUTHDYRAZAI-UHFFFAOYSA-N 1 2 332.452 0.243 20 30 ECEDLO N#CCN1CC[NH+](CCNC(=O)Cc2cnn3c2CCCC3)CC1 ZINC001266285862 835621936 /nfs/dbraw/zinc/62/19/36/835621936.db2.gz PWYXKNJLOUFOMI-UHFFFAOYSA-N 1 2 330.436 0.019 20 30 ECEDLO C=C1CCC(C(=O)NCCN2CC[NH+]([C@H]3CCNC3=O)CC2)CC1 ZINC001266292405 835636897 /nfs/dbraw/zinc/63/68/97/835636897.db2.gz HOXJUYKFKYKSIL-INIZCTEOSA-N 1 2 334.464 0.355 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCN1CC[NH+](Cc2cccnc2)CC1 ZINC001266292552 835636942 /nfs/dbraw/zinc/63/69/42/835636942.db2.gz MGUHGPMFFHVYGF-MSOLQXFVSA-N 1 2 344.459 0.907 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCN(Cc2cccnc2)CC1 ZINC001266292552 835636946 /nfs/dbraw/zinc/63/69/46/835636946.db2.gz MGUHGPMFFHVYGF-MSOLQXFVSA-N 1 2 344.459 0.907 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1ccn(-c2ccccc2)n1 ZINC001266293373 835638763 /nfs/dbraw/zinc/63/87/63/835638763.db2.gz VBTKSHFXYQGPPP-UHFFFAOYSA-N 1 2 341.415 0.836 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccn(-c2ccccc2)n1 ZINC001266293373 835638766 /nfs/dbraw/zinc/63/87/66/835638766.db2.gz VBTKSHFXYQGPPP-UHFFFAOYSA-N 1 2 341.415 0.836 20 30 ECEDLO C=CC(C)(C)C(=O)NCC[N@@H+](C)CC(=O)NCC(=O)NC(C)(C)C ZINC001266308757 835674529 /nfs/dbraw/zinc/67/45/29/835674529.db2.gz CEXXJPMDAQXKAX-UHFFFAOYSA-N 1 2 340.468 0.278 20 30 ECEDLO C=CC(C)(C)C(=O)NCC[N@H+](C)CC(=O)NCC(=O)NC(C)(C)C ZINC001266308757 835674531 /nfs/dbraw/zinc/67/45/31/835674531.db2.gz CEXXJPMDAQXKAX-UHFFFAOYSA-N 1 2 340.468 0.278 20 30 ECEDLO CC(C)C#CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC001266319407 835688963 /nfs/dbraw/zinc/68/89/63/835688963.db2.gz LMWDDOGIBRCHNE-MRXNPFEDSA-N 1 2 345.447 0.228 20 30 ECEDLO CC(C)C#CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC001266319407 835688967 /nfs/dbraw/zinc/68/89/67/835688967.db2.gz LMWDDOGIBRCHNE-MRXNPFEDSA-N 1 2 345.447 0.228 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccn(CC(C)C)n2)C1 ZINC001266320776 835691949 /nfs/dbraw/zinc/69/19/49/835691949.db2.gz FYLDDBWLBBMGAO-CABCVRRESA-N 1 2 345.447 0.481 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2ccn(CC(C)C)n2)C1 ZINC001266320776 835691952 /nfs/dbraw/zinc/69/19/52/835691952.db2.gz FYLDDBWLBBMGAO-CABCVRRESA-N 1 2 345.447 0.481 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC001266320825 835692144 /nfs/dbraw/zinc/69/21/44/835692144.db2.gz GZCGLLGLCVRKRS-LBPRGKRZSA-N 1 2 331.420 0.261 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC001266320825 835692148 /nfs/dbraw/zinc/69/21/48/835692148.db2.gz GZCGLLGLCVRKRS-LBPRGKRZSA-N 1 2 331.420 0.261 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccnn2C(C)C)C1 ZINC001266321698 835695695 /nfs/dbraw/zinc/69/56/95/835695695.db2.gz USOMTRTWIKDXRF-KBPBESRZSA-N 1 2 331.420 0.406 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2ccnn2C(C)C)C1 ZINC001266321698 835695698 /nfs/dbraw/zinc/69/56/98/835695698.db2.gz USOMTRTWIKDXRF-KBPBESRZSA-N 1 2 331.420 0.406 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccc(COC)o2)C1 ZINC001266327621 835708153 /nfs/dbraw/zinc/70/81/53/835708153.db2.gz IIFMLHSJXOWGBP-STQMWFEESA-N 1 2 335.404 0.921 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2ccc(COC)o2)C1 ZINC001266327621 835708157 /nfs/dbraw/zinc/70/81/57/835708157.db2.gz IIFMLHSJXOWGBP-STQMWFEESA-N 1 2 335.404 0.921 20 30 ECEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CCNS(C)(=O)=O)C2)CCC1 ZINC001266341255 835727330 /nfs/dbraw/zinc/72/73/30/835727330.db2.gz DDFAPPDWRSDACP-ZDUSSCGKSA-N 1 2 329.466 0.473 20 30 ECEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](CCNS(C)(=O)=O)C2)CCC1 ZINC001266341255 835727334 /nfs/dbraw/zinc/72/73/34/835727334.db2.gz DDFAPPDWRSDACP-ZDUSSCGKSA-N 1 2 329.466 0.473 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCOc2ccccc2)C1 ZINC001266356071 835760371 /nfs/dbraw/zinc/76/03/71/835760371.db2.gz PQWOQKZKRXPNID-INIZCTEOSA-N 1 2 343.427 0.786 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCOc2ccccc2)C1 ZINC001266356071 835760378 /nfs/dbraw/zinc/76/03/78/835760378.db2.gz PQWOQKZKRXPNID-INIZCTEOSA-N 1 2 343.427 0.786 20 30 ECEDLO N#CCSCC(=O)NC[C@H]1CC[N@H+](CC(=O)Nc2cnccn2)C1 ZINC001266500269 835900708 /nfs/dbraw/zinc/90/07/08/835900708.db2.gz PLIWHBHFJREZGK-GFCCVEGCSA-N 1 2 348.432 0.110 20 30 ECEDLO N#CCSCC(=O)NC[C@H]1CC[N@@H+](CC(=O)Nc2cnccn2)C1 ZINC001266500269 835900714 /nfs/dbraw/zinc/90/07/14/835900714.db2.gz PLIWHBHFJREZGK-GFCCVEGCSA-N 1 2 348.432 0.110 20 30 ECEDLO N#CCSCC(=O)NC[C@@H]1CC[N@H+](CC(=O)Nc2cnccn2)C1 ZINC001266500270 835900746 /nfs/dbraw/zinc/90/07/46/835900746.db2.gz PLIWHBHFJREZGK-LBPRGKRZSA-N 1 2 348.432 0.110 20 30 ECEDLO N#CCSCC(=O)NC[C@@H]1CC[N@@H+](CC(=O)Nc2cnccn2)C1 ZINC001266500270 835900754 /nfs/dbraw/zinc/90/07/54/835900754.db2.gz PLIWHBHFJREZGK-LBPRGKRZSA-N 1 2 348.432 0.110 20 30 ECEDLO C#CCOCCC(=O)NC[C@H]1CC[N@@H+](Cc2nc(N(C)C)no2)C1 ZINC001266514029 835924614 /nfs/dbraw/zinc/92/46/14/835924614.db2.gz KOBZPBXMEGKDTQ-CYBMUJFWSA-N 1 2 335.408 0.114 20 30 ECEDLO C#CCOCCC(=O)NC[C@H]1CC[N@H+](Cc2nc(N(C)C)no2)C1 ZINC001266514029 835924622 /nfs/dbraw/zinc/92/46/22/835924622.db2.gz KOBZPBXMEGKDTQ-CYBMUJFWSA-N 1 2 335.408 0.114 20 30 ECEDLO CC(C)C#CC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001299155119 835952438 /nfs/dbraw/zinc/95/24/38/835952438.db2.gz GZKDVYWNCDGYKS-ZIAGYGMSSA-N 1 2 328.416 0.948 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+](CCNC(=O)c1c[nH]c(C)cc1=O)C1CC1 ZINC001266615166 836050167 /nfs/dbraw/zinc/05/01/67/836050167.db2.gz BGLXYNXXHYHKFI-ZDUSSCGKSA-N 1 2 346.431 0.568 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)c1c[nH]c(C)cc1=O)C1CC1 ZINC001266615166 836050179 /nfs/dbraw/zinc/05/01/79/836050179.db2.gz BGLXYNXXHYHKFI-ZDUSSCGKSA-N 1 2 346.431 0.568 20 30 ECEDLO C=C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1)c1ccccc1 ZINC001266733363 836214380 /nfs/dbraw/zinc/21/43/80/836214380.db2.gz RSVSOLVOQOJSBU-QLFBSQMISA-N 1 2 326.404 0.917 20 30 ECEDLO C#CCOCCC(=O)NC[C@H]1CCC[N@@H+](Cc2nn(CC)nc2C)C1 ZINC001266749937 836240555 /nfs/dbraw/zinc/24/05/55/836240555.db2.gz OKUQVEZTEQTIGN-MRXNPFEDSA-N 1 2 347.463 0.975 20 30 ECEDLO C#CCOCCC(=O)NC[C@H]1CCC[N@H+](Cc2nn(CC)nc2C)C1 ZINC001266749937 836240568 /nfs/dbraw/zinc/24/05/68/836240568.db2.gz OKUQVEZTEQTIGN-MRXNPFEDSA-N 1 2 347.463 0.975 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001266839275 836365437 /nfs/dbraw/zinc/36/54/37/836365437.db2.gz URSUJAKNLQZJKB-KGLIPLIRSA-N 1 2 345.403 0.162 20 30 ECEDLO COc1ccc(C#N)cc1C[NH2+]CCN(C)C(=O)Cc1ncn[nH]1 ZINC001266965693 836534401 /nfs/dbraw/zinc/53/44/01/836534401.db2.gz AZGAALKOAMCVKN-UHFFFAOYSA-N 1 2 328.376 0.476 20 30 ECEDLO C[C@@H](CC(=O)N1CCC[C@@H](C(=O)NCCNCC#N)C1)n1cc[nH+]c1 ZINC001267002361 836597374 /nfs/dbraw/zinc/59/73/74/836597374.db2.gz JWXZJCZMXADIDN-LSDHHAIUSA-N 1 2 346.435 0.302 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCC1(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001299162595 836739119 /nfs/dbraw/zinc/73/91/19/836739119.db2.gz SLLLWIPIDDRUKD-ZDUSSCGKSA-N 1 2 347.419 0.188 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1ccc(-n2cccn2)cc1 ZINC001267199466 836969201 /nfs/dbraw/zinc/96/92/01/836969201.db2.gz OMIJBNJKPIXFPU-UHFFFAOYSA-N 1 2 341.415 0.836 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccc(-n2cccn2)cc1 ZINC001267199466 836969212 /nfs/dbraw/zinc/96/92/12/836969212.db2.gz OMIJBNJKPIXFPU-UHFFFAOYSA-N 1 2 341.415 0.836 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H](c1ccccc1)C1CC1 ZINC001267206777 836989221 /nfs/dbraw/zinc/98/92/21/836989221.db2.gz OPFRBNIEVLSQNR-SFHVURJKSA-N 1 2 327.428 0.978 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H](c1ccccc1)C1CC1 ZINC001267206777 836989228 /nfs/dbraw/zinc/98/92/28/836989228.db2.gz OPFRBNIEVLSQNR-SFHVURJKSA-N 1 2 327.428 0.978 20 30 ECEDLO C[N@H+](CCNC(=O)c1ccc2scnc2c1)CC(=O)NCC#N ZINC001267225326 837024317 /nfs/dbraw/zinc/02/43/17/837024317.db2.gz UCRAPLRSKDZENA-UHFFFAOYSA-N 1 2 331.401 0.598 20 30 ECEDLO C[N@@H+](CCNC(=O)c1ccc2scnc2c1)CC(=O)NCC#N ZINC001267225326 837024330 /nfs/dbraw/zinc/02/43/30/837024330.db2.gz UCRAPLRSKDZENA-UHFFFAOYSA-N 1 2 331.401 0.598 20 30 ECEDLO COc1cncc(C[N@@H+]2CCC[C@H]2CNC(=O)CSCC#N)n1 ZINC001267259356 837085644 /nfs/dbraw/zinc/08/56/44/837085644.db2.gz ADJLDGPFRHEVBQ-ZDUSSCGKSA-N 1 2 335.433 0.823 20 30 ECEDLO COc1cncc(C[N@H+]2CCC[C@H]2CNC(=O)CSCC#N)n1 ZINC001267259356 837085645 /nfs/dbraw/zinc/08/56/45/837085645.db2.gz ADJLDGPFRHEVBQ-ZDUSSCGKSA-N 1 2 335.433 0.823 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(COC)cs1 ZINC001267270831 837110632 /nfs/dbraw/zinc/11/06/32/837110632.db2.gz MTOZDFCKNAYPNL-CQSZACIVSA-N 1 2 349.456 0.838 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(COC)cs1 ZINC001267270831 837110641 /nfs/dbraw/zinc/11/06/41/837110641.db2.gz MTOZDFCKNAYPNL-CQSZACIVSA-N 1 2 349.456 0.838 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1Cc2ccccc21 ZINC001267274110 837117141 /nfs/dbraw/zinc/11/71/41/837117141.db2.gz KVKBJOVAVPNRHB-GDBMZVCRSA-N 1 2 326.400 0.547 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1Cc2ccccc21 ZINC001267274110 837117146 /nfs/dbraw/zinc/11/71/46/837117146.db2.gz KVKBJOVAVPNRHB-GDBMZVCRSA-N 1 2 326.400 0.547 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CCN(C)C(=O)C(C)=C2CCC2)CC1 ZINC001267607454 837950583 /nfs/dbraw/zinc/95/05/83/837950583.db2.gz JFUOAGDXUSIITG-UHFFFAOYSA-N 1 2 348.491 0.865 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NCCC)C2)nc1 ZINC001267633764 838101650 /nfs/dbraw/zinc/10/16/50/838101650.db2.gz NWNYHJWMHRGGPQ-HNNXBMFYSA-N 1 2 328.416 0.783 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=O)NCCC)C2)nc1 ZINC001267633764 838101657 /nfs/dbraw/zinc/10/16/57/838101657.db2.gz NWNYHJWMHRGGPQ-HNNXBMFYSA-N 1 2 328.416 0.783 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC1C[NH+](Cc2cn(C)nc2C(F)F)C1 ZINC001267681724 838240966 /nfs/dbraw/zinc/24/09/66/838240966.db2.gz PVIZRALUTPFDCO-NSHDSACASA-N 1 2 340.374 0.944 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2ocnc2C(F)(F)F)C1 ZINC001267686930 838250747 /nfs/dbraw/zinc/25/07/47/838250747.db2.gz UVJSURRIPXRESU-UHFFFAOYSA-N 1 2 346.309 0.657 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[NH+]1CC(CNC(=O)Cc2c[nH]cn2)C1 ZINC001267693716 838274186 /nfs/dbraw/zinc/27/41/86/838274186.db2.gz OGTZFEZMKCEEMJ-UHFFFAOYSA-N 1 2 333.436 0.425 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)CC[C@@H]2CCCCO2)C1 ZINC001267693934 838275392 /nfs/dbraw/zinc/27/53/92/838275392.db2.gz VXOZHIMDUTWDQS-HOCLYGCPSA-N 1 2 335.448 0.522 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)CC[C@@H]2CCCCO2)C1 ZINC001267693935 838275500 /nfs/dbraw/zinc/27/55/00/838275500.db2.gz VXOZHIMDUTWDQS-ZBFHGGJFSA-N 1 2 335.448 0.522 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001267693408 838277080 /nfs/dbraw/zinc/27/70/80/838277080.db2.gz DDRPXPBIHIOLFK-RRQGHBQHSA-N 1 2 340.427 0.371 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2cc(CC)c[nH]c2=O)C1 ZINC001267694295 838280287 /nfs/dbraw/zinc/28/02/87/838280287.db2.gz AMHRZFNPOIUHMX-UHFFFAOYSA-N 1 2 332.404 0.313 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(F)nc2)C1 ZINC001267737731 838435160 /nfs/dbraw/zinc/43/51/60/838435160.db2.gz AAOZWXKPDRUPET-GFCCVEGCSA-N 1 2 349.366 0.037 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)nc2)C1 ZINC001267737731 838435163 /nfs/dbraw/zinc/43/51/63/838435163.db2.gz AAOZWXKPDRUPET-GFCCVEGCSA-N 1 2 349.366 0.037 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(Cl)cc2)C1 ZINC001267752291 838473956 /nfs/dbraw/zinc/47/39/56/838473956.db2.gz WJDIWIWEQAOYGU-OAHLLOKOSA-N 1 2 333.819 0.822 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(Cl)cc2)C1 ZINC001267752291 838473957 /nfs/dbraw/zinc/47/39/57/838473957.db2.gz WJDIWIWEQAOYGU-OAHLLOKOSA-N 1 2 333.819 0.822 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](Cc2ccccc2)OC)C1 ZINC001267754506 838477725 /nfs/dbraw/zinc/47/77/25/838477725.db2.gz NZRIQZABIBASOY-IAGOWNOFSA-N 1 2 343.427 0.184 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](Cc2ccccc2)OC)C1 ZINC001267754506 838477730 /nfs/dbraw/zinc/47/77/30/838477730.db2.gz NZRIQZABIBASOY-IAGOWNOFSA-N 1 2 343.427 0.184 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C3CC3)nn2C)C1 ZINC001267764638 838497315 /nfs/dbraw/zinc/49/73/15/838497315.db2.gz WVNCZNJDWZZPKR-CQSZACIVSA-N 1 2 345.447 0.746 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C3CC3)nn2C)C1 ZINC001267764638 838497319 /nfs/dbraw/zinc/49/73/19/838497319.db2.gz WVNCZNJDWZZPKR-CQSZACIVSA-N 1 2 345.447 0.746 20 30 ECEDLO CN(C(=O)CCc1ccccn1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267767329 838503439 /nfs/dbraw/zinc/50/34/39/838503439.db2.gz FDHDZNXIYXJQTN-OAHLLOKOSA-N 1 2 329.404 0.187 20 30 ECEDLO CN(C(=O)CCc1ccccn1)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267767329 838503444 /nfs/dbraw/zinc/50/34/44/838503444.db2.gz FDHDZNXIYXJQTN-OAHLLOKOSA-N 1 2 329.404 0.187 20 30 ECEDLO C=CCC1(C(=O)N(C)[C@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)CCC1 ZINC001267772036 838524543 /nfs/dbraw/zinc/52/45/43/838524543.db2.gz RSQNJCVQIBCXJP-ZDUSSCGKSA-N 1 2 333.436 0.888 20 30 ECEDLO C=CCC1(C(=O)N(C)[C@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)CCC1 ZINC001267772036 838524546 /nfs/dbraw/zinc/52/45/46/838524546.db2.gz RSQNJCVQIBCXJP-ZDUSSCGKSA-N 1 2 333.436 0.888 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(F)c(OC)c2)C1 ZINC001267774798 838537445 /nfs/dbraw/zinc/53/74/45/838537445.db2.gz ZHSUVOXFDZOLBX-CQSZACIVSA-N 1 2 347.390 0.730 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(F)c(OC)c2)C1 ZINC001267774798 838537450 /nfs/dbraw/zinc/53/74/50/838537450.db2.gz ZHSUVOXFDZOLBX-CQSZACIVSA-N 1 2 347.390 0.730 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)ncn2)C1 ZINC001267924815 838801319 /nfs/dbraw/zinc/80/13/19/838801319.db2.gz JMGPDDHGTKBGSG-ZIAGYGMSSA-N 1 2 331.420 0.670 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cc(C)ncn2)C1 ZINC001267924815 838801334 /nfs/dbraw/zinc/80/13/34/838801334.db2.gz JMGPDDHGTKBGSG-ZIAGYGMSSA-N 1 2 331.420 0.670 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ccn(CC(C)C)n2)C1 ZINC001267937634 838819849 /nfs/dbraw/zinc/81/98/49/838819849.db2.gz QAOAEDCMRHZLAK-OAHLLOKOSA-N 1 2 345.447 0.483 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ccn(CC(C)C)n2)C1 ZINC001267937634 838819853 /nfs/dbraw/zinc/81/98/53/838819853.db2.gz QAOAEDCMRHZLAK-OAHLLOKOSA-N 1 2 345.447 0.483 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)C2(C)CC2)C1 ZINC001267937507 838820472 /nfs/dbraw/zinc/82/04/72/838820472.db2.gz ODTMUHVLPLJVDN-CHWSQXEVSA-N 1 2 336.436 0.767 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C2(C)CC2)C1 ZINC001267937507 838820488 /nfs/dbraw/zinc/82/04/88/838820488.db2.gz ODTMUHVLPLJVDN-CHWSQXEVSA-N 1 2 336.436 0.767 20 30 ECEDLO CCCN(CCNC(=O)Cn1cc[nH+]c1)C(=O)c1ccc(C#N)[nH]1 ZINC001408874834 838895223 /nfs/dbraw/zinc/89/52/23/838895223.db2.gz ZTWWOCWHJBOBEZ-UHFFFAOYSA-N 1 2 328.376 0.751 20 30 ECEDLO C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)CN2CCCCC2=O)C1 ZINC001268025345 839020342 /nfs/dbraw/zinc/02/03/42/839020342.db2.gz PLNBAMMPUICBEV-HNNXBMFYSA-N 1 2 339.436 0.019 20 30 ECEDLO C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)CN2CCCCC2=O)C1 ZINC001268025345 839020352 /nfs/dbraw/zinc/02/03/52/839020352.db2.gz PLNBAMMPUICBEV-HNNXBMFYSA-N 1 2 339.436 0.019 20 30 ECEDLO C=CCCC(=O)N1CCC2(C[NH+](CC(=O)NC(=O)NCC)C2)CC1 ZINC001268044759 839204394 /nfs/dbraw/zinc/20/43/94/839204394.db2.gz ZYAQOIKAWOQPMI-UHFFFAOYSA-N 1 2 336.436 0.723 20 30 ECEDLO N#CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)c1ccsn1)CC2 ZINC001268045137 839206336 /nfs/dbraw/zinc/20/63/36/839206336.db2.gz RZVBNZKVBXXYHK-UHFFFAOYSA-N 1 2 333.417 0.321 20 30 ECEDLO CN1CCOC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000981013930 839339132 /nfs/dbraw/zinc/33/91/32/839339132.db2.gz NFSCBRJLOVLOMQ-INIZCTEOSA-N 1 2 348.472 0.985 20 30 ECEDLO CN1CCOC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000981013930 839339145 /nfs/dbraw/zinc/33/91/45/839339145.db2.gz NFSCBRJLOVLOMQ-INIZCTEOSA-N 1 2 348.472 0.985 20 30 ECEDLO C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000104938634 219437593 /nfs/dbraw/zinc/43/75/93/219437593.db2.gz XWLWKLAAHRCCGR-ZIAGYGMSSA-N 1 2 344.415 0.513 20 30 ECEDLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)CC(C)(C)CC#N)[C@@H](C)C1 ZINC000451372788 291028063 /nfs/dbraw/zinc/02/80/63/291028063.db2.gz HHYYOEVNFZVHIQ-ZDUSSCGKSA-N 1 2 345.465 0.825 20 30 ECEDLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)CC(C)(C)CC#N)[C@@H](C)C1 ZINC000451372788 291028065 /nfs/dbraw/zinc/02/80/65/291028065.db2.gz HHYYOEVNFZVHIQ-ZDUSSCGKSA-N 1 2 345.465 0.825 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2c(C)noc2C)CC1 ZINC000264127560 246089770 /nfs/dbraw/zinc/08/97/70/246089770.db2.gz GBWUOLCRQIJNSB-UHFFFAOYSA-N 1 2 346.431 0.508 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2c(C)noc2C)CC1 ZINC000264127560 246089775 /nfs/dbraw/zinc/08/97/75/246089775.db2.gz GBWUOLCRQIJNSB-UHFFFAOYSA-N 1 2 346.431 0.508 20 30 ECEDLO COCCOC[C@@H](O)C[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000451043466 211357769 /nfs/dbraw/zinc/35/77/69/211357769.db2.gz GTWIBZIPOJNOEH-ZDUSSCGKSA-N 1 2 340.449 0.469 20 30 ECEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000444215469 211059147 /nfs/dbraw/zinc/05/91/47/211059147.db2.gz QVBBIOHJOQUMCV-GFCCVEGCSA-N 1 2 339.417 0.254 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000267433484 251052996 /nfs/dbraw/zinc/05/29/96/251052996.db2.gz FCDGQVZBJXJHSP-NEPJUHHUSA-N 1 2 339.465 0.496 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000374454079 285050844 /nfs/dbraw/zinc/05/08/44/285050844.db2.gz UJHOEIZCFJYTKU-QLFBSQMISA-N 1 2 344.481 0.556 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000374454079 285050848 /nfs/dbraw/zinc/05/08/48/285050848.db2.gz UJHOEIZCFJYTKU-QLFBSQMISA-N 1 2 344.481 0.556 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2(CCOCC)CCC2)CC1 ZINC000125287888 254496166 /nfs/dbraw/zinc/49/61/66/254496166.db2.gz DRXKYJPQWFADKL-UHFFFAOYSA-N 1 2 349.475 0.867 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(CCOCC)CCC2)CC1 ZINC000125287888 254496168 /nfs/dbraw/zinc/49/61/68/254496168.db2.gz DRXKYJPQWFADKL-UHFFFAOYSA-N 1 2 349.475 0.867 20 30 ECEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)CN1CCS(=O)(=O)CC1)CCC2 ZINC000328642675 254589351 /nfs/dbraw/zinc/58/93/51/254589351.db2.gz AATWYYCSLYEMRC-CYBMUJFWSA-N 1 2 340.449 0.756 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000352617175 254712042 /nfs/dbraw/zinc/71/20/42/254712042.db2.gz MRVHTONHSZYDHR-RBSFLKMASA-N 1 2 344.481 0.508 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2csc([C@H](C)OC)n2)CC1 ZINC000491360350 254910266 /nfs/dbraw/zinc/91/02/66/254910266.db2.gz FMRXPYJFKHPUOQ-ZDUSSCGKSA-N 1 2 336.461 0.718 20 30 ECEDLO CN(C)C(=O)O[C@@H]1CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000496551283 255109540 /nfs/dbraw/zinc/10/95/40/255109540.db2.gz PKVMHVZUQWMJPQ-OAHLLOKOSA-N 1 2 330.388 0.947 20 30 ECEDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000496551283 255109543 /nfs/dbraw/zinc/10/95/43/255109543.db2.gz PKVMHVZUQWMJPQ-OAHLLOKOSA-N 1 2 330.388 0.947 20 30 ECEDLO C#CCCN1CC[NH+](C[C@H](O)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000496880812 255138680 /nfs/dbraw/zinc/13/86/80/255138680.db2.gz FAYKLTMJUMZYEJ-OAHLLOKOSA-N 1 2 325.453 0.855 20 30 ECEDLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(C)c2C#N)CC1 ZINC000177133261 263153858 /nfs/dbraw/zinc/15/38/58/263153858.db2.gz HOGSJXKHYKTFKN-UHFFFAOYSA-N 1 2 330.388 0.596 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000283686960 264141483 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C[C@H](C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)[NH+]1CCN(C)CC1 ZINC000293664002 267128381 /nfs/dbraw/zinc/12/83/81/267128381.db2.gz HXUFODIXTMFKMO-ZBFHGGJFSA-N 1 2 343.431 0.569 20 30 ECEDLO C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355098221 267129825 /nfs/dbraw/zinc/12/98/25/267129825.db2.gz LKGQTQVYVIAFRV-GFCCVEGCSA-N 1 2 342.403 0.452 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000340393734 267156898 /nfs/dbraw/zinc/15/68/98/267156898.db2.gz KMUAXKNKTBLVPE-GFCCVEGCSA-N 1 2 331.376 0.071 20 30 ECEDLO C[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)C[NH+]1CCOCC1 ZINC000288437234 267162855 /nfs/dbraw/zinc/16/28/55/267162855.db2.gz UDDZVAYNQWHJPI-CQSZACIVSA-N 1 2 337.445 0.946 20 30 ECEDLO C[C@H]1C[NH+](CCN(C)S(=O)(=O)c2cncc(C#N)c2)C[C@H](C)O1 ZINC000352907796 267232556 /nfs/dbraw/zinc/23/25/56/267232556.db2.gz GDMDDUAXMGTJIC-STQMWFEESA-N 1 2 338.433 0.683 20 30 ECEDLO Cc1c(C#N)cccc1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000338183840 267275861 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N#Cc1ccc(N2CC[NH+](CC(=O)NC3CCCCC3)CC2)nn1 ZINC000302005687 268116574 /nfs/dbraw/zinc/11/65/74/268116574.db2.gz SVUBFOHBGYRLRF-UHFFFAOYSA-N 1 2 328.420 0.919 20 30 ECEDLO N#Cc1ccc([C@H](O)C[NH+]2CCN(CC(=O)NC3CC3)CC2)cc1 ZINC000268659444 268214033 /nfs/dbraw/zinc/21/40/33/268214033.db2.gz XVONKJIABZWDHT-QGZVFWFLSA-N 1 2 328.416 0.488 20 30 ECEDLO N#Cc1cccc(-n2ccc(C(=O)NCC[NH+]3CCOCC3)n2)c1 ZINC000342363042 268230943 /nfs/dbraw/zinc/23/09/43/268230943.db2.gz CDBCATYGESKPOI-UHFFFAOYSA-N 1 2 325.372 0.806 20 30 ECEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)c1 ZINC000292918342 268266499 /nfs/dbraw/zinc/26/64/99/268266499.db2.gz HZRGEZIOSVYAAO-INIZCTEOSA-N 1 2 340.387 0.918 20 30 ECEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)c1 ZINC000292918342 268266501 /nfs/dbraw/zinc/26/65/01/268266501.db2.gz HZRGEZIOSVYAAO-INIZCTEOSA-N 1 2 340.387 0.918 20 30 ECEDLO N#Cc1ccccc1N1CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC000332114260 268277179 /nfs/dbraw/zinc/27/71/79/268277179.db2.gz 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Cc1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1S(C)(=O)=O ZINC000330710993 437595582 /nfs/dbraw/zinc/59/55/82/437595582.db2.gz XMFXNTDLFGYELX-AWEZNQCLSA-N 1 2 339.461 0.949 20 30 ECEDLO Cc1ccc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1S(C)(=O)=O ZINC000330710993 437595584 /nfs/dbraw/zinc/59/55/84/437595584.db2.gz XMFXNTDLFGYELX-AWEZNQCLSA-N 1 2 339.461 0.949 20 30 ECEDLO C=C[C@H](CO)NC(=O)[C@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000356838987 277911991 /nfs/dbraw/zinc/91/19/91/277911991.db2.gz QBXVYAQTPBPHDQ-PVXIVEMSSA-N 1 2 332.404 0.525 20 30 ECEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C([O-])=[NH+][C@@H]1CCc2c[nH]nc2C1 ZINC000329543041 289044317 /nfs/dbraw/zinc/04/43/17/289044317.db2.gz FCHMAJSBJSVHLM-XNRPHZJLSA-N 1 2 333.436 0.976 20 30 ECEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000329543041 289044319 /nfs/dbraw/zinc/04/43/19/289044319.db2.gz FCHMAJSBJSVHLM-XNRPHZJLSA-N 1 2 333.436 0.976 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000329960953 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CNC(=O)NC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000078269183 436263584 /nfs/dbraw/zinc/26/35/84/436263584.db2.gz DFXABTRKLQWEHD-HIFRSBDPSA-N 1 2 329.404 0.713 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(CC(=O)NC(C)C)CC1 ZINC000042474597 436303659 /nfs/dbraw/zinc/30/36/59/436303659.db2.gz MWTMGZNEEDDYRR-INIZCTEOSA-N 1 2 336.480 0.718 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCCC#N)CC2)C[C@H](C)O1 ZINC000045944124 436380948 /nfs/dbraw/zinc/38/09/48/436380948.db2.gz UWZFAKUWYJQHJB-OKILXGFUSA-N 1 2 330.454 0.262 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)N1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000091582112 436454272 /nfs/dbraw/zinc/45/42/72/436454272.db2.gz LBBXPPUBTPFZCD-MRXNPFEDSA-N 1 2 342.443 0.923 20 30 ECEDLO C[C@H](CN1CCOCC1)[N@@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000091582112 436454276 /nfs/dbraw/zinc/45/42/76/436454276.db2.gz LBBXPPUBTPFZCD-MRXNPFEDSA-N 1 2 342.443 0.923 20 30 ECEDLO C[C@H](CN1CCOCC1)[N@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000091582112 436454279 /nfs/dbraw/zinc/45/42/79/436454279.db2.gz LBBXPPUBTPFZCD-MRXNPFEDSA-N 1 2 342.443 0.923 20 30 ECEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(CC(=O)N2CCCCC2)CC1 ZINC000053430370 436532859 /nfs/dbraw/zinc/53/28/59/436532859.db2.gz FHPDJHYHCVLGJZ-UHFFFAOYSA-N 1 2 348.491 0.817 20 30 ECEDLO C=CCN(CC=C)C(=O)CN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000053430370 436532864 /nfs/dbraw/zinc/53/28/64/436532864.db2.gz FHPDJHYHCVLGJZ-UHFFFAOYSA-N 1 2 348.491 0.817 20 30 ECEDLO C=CCNC(=O)CN1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000105786614 436576335 /nfs/dbraw/zinc/57/63/35/436576335.db2.gz SNUSUVJYTKVYEE-UHFFFAOYSA-N 1 2 344.463 0.891 20 30 ECEDLO Cc1cccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c1C#N ZINC000249262400 302010940 /nfs/dbraw/zinc/01/09/40/302010940.db2.gz ZEGBVIIAFVYGFE-KGLIPLIRSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c1C#N ZINC000249262400 302010942 /nfs/dbraw/zinc/01/09/42/302010942.db2.gz ZEGBVIIAFVYGFE-KGLIPLIRSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2nccn2C)c1C#N ZINC000262128795 302011120 /nfs/dbraw/zinc/01/11/20/302011120.db2.gz XYXTXRDWOZQZCM-AWEZNQCLSA-N 1 2 345.428 0.935 20 30 ECEDLO CC(C)C(=O)NCC[N@H+](C)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000535771955 302127360 /nfs/dbraw/zinc/12/73/60/302127360.db2.gz LIIYLEVAOSUDOU-HNNXBMFYSA-N 1 2 342.399 0.894 20 30 ECEDLO CC(C)C(=O)NCC[N@@H+](C)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000535771955 302127362 /nfs/dbraw/zinc/12/73/62/302127362.db2.gz LIIYLEVAOSUDOU-HNNXBMFYSA-N 1 2 342.399 0.894 20 30 ECEDLO C=CCCC[NH+]1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000117873110 436659697 /nfs/dbraw/zinc/65/96/97/436659697.db2.gz QVXKMVDVLUZWCZ-UHFFFAOYSA-N 1 2 327.406 0.651 20 30 ECEDLO C#CC[NH+]1CCN(Cn2cc(I)cn2)CC1 ZINC000151384962 436701639 /nfs/dbraw/zinc/70/16/39/436701639.db2.gz GJNXSPUDAQOZKT-UHFFFAOYSA-N 1 2 330.173 0.696 20 30 ECEDLO Cc1nc(S(=O)(=O)N2CC[NH+](CCC(C)(C)C#N)CC2)cn1C ZINC000272056788 436702374 /nfs/dbraw/zinc/70/23/74/436702374.db2.gz VRVCBXJTYGTWON-UHFFFAOYSA-N 1 2 339.465 0.975 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(C(N)=O)nc1 ZINC000271238731 436680066 /nfs/dbraw/zinc/68/00/66/436680066.db2.gz SVDROJYGKHYMNI-UHFFFAOYSA-N 1 2 346.391 0.260 20 30 ECEDLO C=CCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000122668063 436738177 /nfs/dbraw/zinc/73/81/77/436738177.db2.gz OGOFMMCTJUNXJM-CQSZACIVSA-N 1 2 325.434 0.715 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCNC(=O)[C@@H]2C(C)C)CC1 ZINC000245569789 436764916 /nfs/dbraw/zinc/76/49/16/436764916.db2.gz WMXGJBNRVDKXSX-WBVHZDCISA-N 1 2 349.479 0.135 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCNC(=O)[C@@H]2C(C)C)CC1 ZINC000245569789 436764920 /nfs/dbraw/zinc/76/49/20/436764920.db2.gz WMXGJBNRVDKXSX-WBVHZDCISA-N 1 2 349.479 0.135 20 30 ECEDLO CCS(=O)(=O)CC[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000128431450 436815055 /nfs/dbraw/zinc/81/50/55/436815055.db2.gz VOSZZAAFZFXOBA-CQSZACIVSA-N 1 2 326.418 0.664 20 30 ECEDLO CCS(=O)(=O)CC[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000128431450 436815058 /nfs/dbraw/zinc/81/50/58/436815058.db2.gz VOSZZAAFZFXOBA-CQSZACIVSA-N 1 2 326.418 0.664 20 30 ECEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC000246839532 436785657 /nfs/dbraw/zinc/78/56/57/436785657.db2.gz RWDILRWYMDUBAT-JSGCOSHPSA-N 1 2 328.372 0.120 20 30 ECEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC000246839532 436785659 /nfs/dbraw/zinc/78/56/59/436785659.db2.gz RWDILRWYMDUBAT-JSGCOSHPSA-N 1 2 328.372 0.120 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCNC(=O)c1ccco1 ZINC000247708923 436796911 /nfs/dbraw/zinc/79/69/11/436796911.db2.gz HFPDHCPZCAJLEZ-UHFFFAOYSA-N 1 2 348.403 0.474 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2oc(CCC)nc2C)CC1 ZINC000292972430 436839052 /nfs/dbraw/zinc/83/90/52/436839052.db2.gz CGKAUCBZHXIMAL-UHFFFAOYSA-N 1 2 346.431 0.833 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2oc(CCC)nc2C)CC1 ZINC000292972430 436839055 /nfs/dbraw/zinc/83/90/55/436839055.db2.gz CGKAUCBZHXIMAL-UHFFFAOYSA-N 1 2 346.431 0.833 20 30 ECEDLO COC(=O)c1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)n1C ZINC000293390874 436872980 /nfs/dbraw/zinc/87/29/80/436872980.db2.gz KRLLFEXZGNUIFG-UHFFFAOYSA-N 1 2 348.403 0.500 20 30 ECEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCc3n[nH]c(=O)cc3C2)C1=O ZINC000274816731 436877221 /nfs/dbraw/zinc/87/72/21/436877221.db2.gz ANIMYAROHXPRJC-CYBMUJFWSA-N 1 2 341.396 0.867 20 30 ECEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCc3n[nH]c(=O)cc3C2)C1=O ZINC000274816731 436877224 /nfs/dbraw/zinc/87/72/24/436877224.db2.gz ANIMYAROHXPRJC-CYBMUJFWSA-N 1 2 341.396 0.867 20 30 ECEDLO CCC(=O)N1CC[C@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000161166196 436885204 /nfs/dbraw/zinc/88/52/04/436885204.db2.gz NYRJJBMHAZXZJZ-HNNXBMFYSA-N 1 2 336.436 0.319 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NC(=O)c2ccc(OC)cc2)C1=O ZINC000281352401 436963356 /nfs/dbraw/zinc/96/33/56/436963356.db2.gz NEXYNKDEUGPHRB-OAHLLOKOSA-N 1 2 345.399 0.670 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NC(=O)c2ccc(OC)cc2)C1=O ZINC000281352401 436963359 /nfs/dbraw/zinc/96/33/59/436963359.db2.gz NEXYNKDEUGPHRB-OAHLLOKOSA-N 1 2 345.399 0.670 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1=O ZINC000281439233 436969635 /nfs/dbraw/zinc/96/96/35/436969635.db2.gz TVXZTWDCFGKCIL-SWLSCSKDSA-N 1 2 344.415 0.831 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1=O ZINC000281439233 436969637 /nfs/dbraw/zinc/96/96/37/436969637.db2.gz TVXZTWDCFGKCIL-SWLSCSKDSA-N 1 2 344.415 0.831 20 30 ECEDLO C#CCCOc1ccc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)cc1 ZINC000295527321 436970540 /nfs/dbraw/zinc/97/05/40/436970540.db2.gz SLRAIUFVJZQDHL-UHFFFAOYSA-N 1 2 329.400 0.640 20 30 ECEDLO C#CCCOc1ccc(C(=O)NCCC[N@H+]2CCNC(=O)C2)cc1 ZINC000295527321 436970544 /nfs/dbraw/zinc/97/05/44/436970544.db2.gz SLRAIUFVJZQDHL-UHFFFAOYSA-N 1 2 329.400 0.640 20 30 ECEDLO C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2c[nH+]ccc2OC)C1=O ZINC000281459660 436972631 /nfs/dbraw/zinc/97/26/31/436972631.db2.gz NRNAYVSSLLHUBW-LBPRGKRZSA-N 1 2 332.360 0.274 20 30 ECEDLO C=CCNc1ncc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)s1 ZINC000136314438 436931359 /nfs/dbraw/zinc/93/13/59/436931359.db2.gz FFXZOVAUOXKTPZ-HNNXBMFYSA-N 1 2 340.449 0.554 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000166037625 436937064 /nfs/dbraw/zinc/93/70/64/436937064.db2.gz NBZZRZACECQEQL-CQSZACIVSA-N 1 2 331.420 0.912 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@@H](CC(C)C)C(=O)OC)C1=O ZINC000281210631 436955603 /nfs/dbraw/zinc/95/56/03/436955603.db2.gz DBFMUGRSHRCWSG-UONOGXRCSA-N 1 2 339.436 0.409 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@@H](CC(C)C)C(=O)OC)C1=O ZINC000281210631 436955607 /nfs/dbraw/zinc/95/56/07/436955607.db2.gz DBFMUGRSHRCWSG-UONOGXRCSA-N 1 2 339.436 0.409 20 30 ECEDLO C[C@@H]1CN(c2ccc(CNC(=O)N3CCO[C@H](C#N)C3)c[nH+]2)CCO1 ZINC000264430347 437028769 /nfs/dbraw/zinc/02/87/69/437028769.db2.gz WZIDHQCSXVHXEF-UKRRQHHQSA-N 1 2 345.403 0.741 20 30 ECEDLO Cn1c(NCCCCNc2cccc[nH+]2)c(C#N)c(=O)n(C)c1=O ZINC000263923201 437004126 /nfs/dbraw/zinc/00/41/26/437004126.db2.gz PSFVRYNUWHPYAG-UHFFFAOYSA-N 1 2 328.376 0.655 20 30 ECEDLO C=CCOc1cccc(NC(=O)C(=O)N(C)CC[NH+]2CCOCC2)c1 ZINC000275736907 437007857 /nfs/dbraw/zinc/00/78/57/437007857.db2.gz BDYOCMZBDRBOOC-UHFFFAOYSA-N 1 2 347.415 0.981 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCN(CC(=O)Nc3cc(C)on3)CC2)C1=O ZINC000281962073 437010456 /nfs/dbraw/zinc/01/04/56/437010456.db2.gz KMQWRHMTGOKANK-AWEZNQCLSA-N 1 2 347.419 0.326 20 30 ECEDLO COCCN(CCC#N)S(=O)(=O)NCCc1cccc(C)[nH+]1 ZINC000282480394 437013047 /nfs/dbraw/zinc/01/30/47/437013047.db2.gz XOBSPAUCFNBNPL-UHFFFAOYSA-N 1 2 326.422 0.629 20 30 ECEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000284355548 437054191 /nfs/dbraw/zinc/05/41/91/437054191.db2.gz SKRHWBKVGZNEON-GFCCVEGCSA-N 1 2 332.364 0.198 20 30 ECEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000284355548 437054196 /nfs/dbraw/zinc/05/41/96/437054196.db2.gz SKRHWBKVGZNEON-GFCCVEGCSA-N 1 2 332.364 0.198 20 30 ECEDLO CS(=O)(=O)N1CCC(C/[NH+]=C/c2ccc(O)c(O)c2O)CC1 ZINC000299522482 437085553 /nfs/dbraw/zinc/08/55/53/437085553.db2.gz OWEBLWHWIHETSJ-OQLLNIDSSA-N 1 2 328.390 0.894 20 30 ECEDLO CN(C)c1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)ccn1 ZINC000299517240 437085648 /nfs/dbraw/zinc/08/56/48/437085648.db2.gz KKONLGYWZAWBGL-UHFFFAOYSA-N 1 2 331.420 0.836 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000331516613 437112474 /nfs/dbraw/zinc/11/24/74/437112474.db2.gz CERKTJGXDIEMOX-RLCCDNCMSA-N 1 2 335.408 0.103 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000331516613 437112477 /nfs/dbraw/zinc/11/24/77/437112477.db2.gz CERKTJGXDIEMOX-RLCCDNCMSA-N 1 2 335.408 0.103 20 30 ECEDLO COC(=O)COCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000286850329 437138745 /nfs/dbraw/zinc/13/87/45/437138745.db2.gz ALXUPFJHQIZSBC-UHFFFAOYSA-N 1 2 331.372 0.392 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000177472112 437185542 /nfs/dbraw/zinc/18/55/42/437185542.db2.gz KSMOHHMPLWLTQB-CYBMUJFWSA-N 1 2 337.424 0.587 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000177472112 437185545 /nfs/dbraw/zinc/18/55/45/437185545.db2.gz KSMOHHMPLWLTQB-CYBMUJFWSA-N 1 2 337.424 0.587 20 30 ECEDLO C#CCCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000265802537 437193881 /nfs/dbraw/zinc/19/38/81/437193881.db2.gz NRKSTABMDBSSBK-UHFFFAOYSA-N 1 2 344.419 0.168 20 30 ECEDLO C#CCCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000265802537 437193886 /nfs/dbraw/zinc/19/38/86/437193886.db2.gz NRKSTABMDBSSBK-UHFFFAOYSA-N 1 2 344.419 0.168 20 30 ECEDLO N#CCN1CCN(C(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000266921368 437265448 /nfs/dbraw/zinc/26/54/48/437265448.db2.gz WHHKOUPJQRBQQY-UHFFFAOYSA-N 1 2 328.416 0.800 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)C1=O ZINC000328815458 437267902 /nfs/dbraw/zinc/26/79/02/437267902.db2.gz NQCQKHXEXHDDLK-UONOGXRCSA-N 1 2 327.450 0.273 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)C1=O ZINC000328815458 437267903 /nfs/dbraw/zinc/26/79/03/437267903.db2.gz NQCQKHXEXHDDLK-UONOGXRCSA-N 1 2 327.450 0.273 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCC(c2nc(C(=O)OCC)n[nH]2)CC1 ZINC000277839449 437258422 /nfs/dbraw/zinc/25/84/22/437258422.db2.gz SCLACKJHPHVUTD-NSHDSACASA-N 1 2 333.392 0.299 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1COCCN1CC(F)(F)F ZINC000328784398 437263391 /nfs/dbraw/zinc/26/33/91/437263391.db2.gz NVUWJJQMZCVSOA-VXGBXAGGSA-N 1 2 339.358 0.927 20 30 ECEDLO C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cc[nH+]cc2O)cc1 ZINC000336889981 437306791 /nfs/dbraw/zinc/30/67/91/437306791.db2.gz GXGMXVYSSUZOQH-UHFFFAOYSA-N 1 2 333.369 0.926 20 30 ECEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CCc2n[nH]nc2C1 ZINC000329058316 437309025 /nfs/dbraw/zinc/30/90/25/437309025.db2.gz YJOHOXGMXFIDPM-LBPRGKRZSA-N 1 2 345.407 0.727 20 30 ECEDLO C#CCNc1nc(NC[C@H](C)CCO)[nH+]c(NC[C@@H](C)CCO)n1 ZINC000288402786 437318460 /nfs/dbraw/zinc/31/84/60/437318460.db2.gz MYIZOIGMHNKOKI-BETUJISGSA-N 1 2 336.440 0.778 20 30 ECEDLO C#CCNc1nc(NC[C@H](C)CCO)nc(NC[C@@H](C)CCO)[nH+]1 ZINC000288402786 437318468 /nfs/dbraw/zinc/31/84/68/437318468.db2.gz MYIZOIGMHNKOKI-BETUJISGSA-N 1 2 336.440 0.778 20 30 ECEDLO C#CCNc1nc(NC[C@@H](C)CCO)nc(NC[C@H](C)CCO)[nH+]1 ZINC000288402786 437318470 /nfs/dbraw/zinc/31/84/70/437318470.db2.gz MYIZOIGMHNKOKI-BETUJISGSA-N 1 2 336.440 0.778 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCC[NH+]3CCOC(C)(C)C3)C[C@H]21 ZINC000328877566 437277035 /nfs/dbraw/zinc/27/70/35/437277035.db2.gz KPJUOLUUDWXZDO-HUUCEWRRSA-N 1 2 340.468 0.416 20 30 ECEDLO CN1CCO[C@@H]2CCN(C(=O)NCC[N@@H+]3CCOC(C)(C)C3)C[C@H]21 ZINC000328877566 437277045 /nfs/dbraw/zinc/27/70/45/437277045.db2.gz KPJUOLUUDWXZDO-HUUCEWRRSA-N 1 2 340.468 0.416 20 30 ECEDLO CN1CCO[C@@H]2CCN(C(=O)NCC[N@H+]3CCOC(C)(C)C3)C[C@H]21 ZINC000328877566 437277048 /nfs/dbraw/zinc/27/70/48/437277048.db2.gz KPJUOLUUDWXZDO-HUUCEWRRSA-N 1 2 340.468 0.416 20 30 ECEDLO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)CC1=O ZINC000328892405 437280696 /nfs/dbraw/zinc/28/06/96/437280696.db2.gz TVKXQOPAWNCEJP-QMIVOQANSA-N 1 2 336.436 0.315 20 30 ECEDLO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CC1=O ZINC000328892405 437280699 /nfs/dbraw/zinc/28/06/99/437280699.db2.gz TVKXQOPAWNCEJP-QMIVOQANSA-N 1 2 336.436 0.315 20 30 ECEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000329278477 437345609 /nfs/dbraw/zinc/34/56/09/437345609.db2.gz LFHWVVGHBOCMPD-GFCCVEGCSA-N 1 2 329.466 0.689 20 30 ECEDLO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000329347765 437355138 /nfs/dbraw/zinc/35/51/38/437355138.db2.gz CMXSCCZAYVQWSZ-VIRABCJISA-N 1 2 339.436 0.424 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)CC1 ZINC000278924894 437356991 /nfs/dbraw/zinc/35/69/91/437356991.db2.gz APZXPSJKVFEKPY-LBPRGKRZSA-N 1 2 333.354 0.857 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337384550 437358555 /nfs/dbraw/zinc/35/85/55/437358555.db2.gz DMMGEPJITLTMRD-STQMWFEESA-N 1 2 327.450 0.836 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337384550 437358560 /nfs/dbraw/zinc/35/85/60/437358560.db2.gz DMMGEPJITLTMRD-STQMWFEESA-N 1 2 327.450 0.836 20 30 ECEDLO Cn1cc(C[NH+]2CCN(C([O-])=[NH+][C@H]3CCc4ncnn4C3)CC2)cn1 ZINC000329397971 437362412 /nfs/dbraw/zinc/36/24/12/437362412.db2.gz AFLARTZORGBBAY-AWEZNQCLSA-N 1 2 344.423 0.058 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000337056805 437324321 /nfs/dbraw/zinc/32/43/21/437324321.db2.gz CSBQJIXEZJKPFY-KBPBESRZSA-N 1 2 332.470 0.271 20 30 ECEDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)ccc1C#N ZINC000278647544 437331056 /nfs/dbraw/zinc/33/10/56/437331056.db2.gz DTVKOQRFZZTONZ-ZIAGYGMSSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)ccc1C#N ZINC000278647544 437331062 /nfs/dbraw/zinc/33/10/62/437331062.db2.gz DTVKOQRFZZTONZ-ZIAGYGMSSA-N 1 2 337.445 0.942 20 30 ECEDLO C[C@H](CNC(=O)N1CCOC[C@@H]1[C@H]1CCCO1)[NH+]1CCOCC1 ZINC000329224358 437337299 /nfs/dbraw/zinc/33/72/99/437337299.db2.gz ZNVJUZAXSSKLMA-RBSFLKMASA-N 1 2 327.425 0.501 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000337162187 437337822 /nfs/dbraw/zinc/33/78/22/437337822.db2.gz VJAZGWJEBHYERJ-CYBMUJFWSA-N 1 2 332.470 0.365 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000337162187 437337826 /nfs/dbraw/zinc/33/78/26/437337826.db2.gz VJAZGWJEBHYERJ-CYBMUJFWSA-N 1 2 332.470 0.365 20 30 ECEDLO Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329226872 437337889 /nfs/dbraw/zinc/33/78/89/437337889.db2.gz HSRKPMNUDBPNNH-FQUUOJAGSA-N 1 2 335.408 0.179 20 30 ECEDLO Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329226872 437337893 /nfs/dbraw/zinc/33/78/93/437337893.db2.gz HSRKPMNUDBPNNH-FQUUOJAGSA-N 1 2 335.408 0.179 20 30 ECEDLO C[C@H](C#N)CN(C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C1CC1 ZINC000338355564 437405221 /nfs/dbraw/zinc/40/52/21/437405221.db2.gz GRFRAPOLQKAHLD-CQSZACIVSA-N 1 2 346.435 1.371 20 30 ECEDLO C[C@H](NC(=O)N1CCN2CCOC[C@@H]2C1)[C@H](C)[NH+]1CCOCC1 ZINC000329781021 437412674 /nfs/dbraw/zinc/41/26/74/437412674.db2.gz NASIRGWYEOGHQC-KKUMJFAQSA-N 1 2 326.441 0.026 20 30 ECEDLO O=C(C[C@@H]1CCOC1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329784232 437412987 /nfs/dbraw/zinc/41/29/87/437412987.db2.gz PDVMGUDKDLTZKX-KBPBESRZSA-N 1 2 325.409 0.303 20 30 ECEDLO Cc1noc([C@@H]2CN(C([O-])=[NH+][C@@H]3CCc4[nH]c[nH+]c4C3)CCN2C)n1 ZINC000329629748 437392616 /nfs/dbraw/zinc/39/26/16/437392616.db2.gz VEZVBCZQAFRAMZ-RISCZKNCSA-N 1 2 345.407 0.861 20 30 ECEDLO Cc1noc([C@@H]2CN(C([O-])=[NH+][C@@H]3CCc4[nH+]c[nH]c4C3)CCN2C)n1 ZINC000329629748 437392620 /nfs/dbraw/zinc/39/26/20/437392620.db2.gz VEZVBCZQAFRAMZ-RISCZKNCSA-N 1 2 345.407 0.861 20 30 ECEDLO C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000329624991 437393826 /nfs/dbraw/zinc/39/38/26/437393826.db2.gz VCGCHQJXRBGLRQ-IFMYKAFSSA-N 1 2 331.482 0.853 20 30 ECEDLO C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000329624991 437393830 /nfs/dbraw/zinc/39/38/30/437393830.db2.gz VCGCHQJXRBGLRQ-IFMYKAFSSA-N 1 2 331.482 0.853 20 30 ECEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCO[C@H](Cn2cccn2)C1 ZINC000329638390 437394391 /nfs/dbraw/zinc/39/43/91/437394391.db2.gz WCNAYEVYLGLELN-OLZOCXBDSA-N 1 2 330.392 0.779 20 30 ECEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCO[C@H](Cn2cccn2)C1 ZINC000329638390 437394394 /nfs/dbraw/zinc/39/43/94/437394394.db2.gz WCNAYEVYLGLELN-OLZOCXBDSA-N 1 2 330.392 0.779 20 30 ECEDLO CC(=O)N1CCC[C@@H](CNC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000329914839 437431192 /nfs/dbraw/zinc/43/11/92/437431192.db2.gz CSIJGHLTDONCJG-HNNXBMFYSA-N 1 2 340.468 0.859 20 30 ECEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCc2nnn(C)n2)CC1 ZINC000330246169 437474345 /nfs/dbraw/zinc/47/43/45/437474345.db2.gz YBRNWEZIFRKECO-LBPRGKRZSA-N 1 2 330.396 0.398 20 30 ECEDLO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC1=O ZINC000330247660 437474654 /nfs/dbraw/zinc/47/46/54/437474654.db2.gz LVYIIPGDEGNTME-TUVASFSCSA-N 1 2 336.436 0.316 20 30 ECEDLO Cn1cc[nH+]c1CN1CCN(S(=O)(=O)c2cccnc2C#N)CC1 ZINC000330298952 437480057 /nfs/dbraw/zinc/48/00/57/437480057.db2.gz HSYFWFHHVFQHBX-UHFFFAOYSA-N 1 2 346.416 0.193 20 30 ECEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)CN1CCCC1=O ZINC000329932016 437432857 /nfs/dbraw/zinc/43/28/57/437432857.db2.gz BLLUZOGRINOJDJ-STQMWFEESA-N 1 2 337.399 0.911 20 30 ECEDLO C[C@@H]1C[C@@H](O)CN1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329935099 437433695 /nfs/dbraw/zinc/43/36/95/437433695.db2.gz KDPCSRNYSAJDCZ-TZMCWYRMSA-N 1 2 347.419 0.470 20 30 ECEDLO CC(=O)N1CCC[C@H](CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000329952833 437435814 /nfs/dbraw/zinc/43/58/14/437435814.db2.gz IZCFPVNJNUABIJ-OAHLLOKOSA-N 1 2 340.468 0.859 20 30 ECEDLO CC(=O)N1CCC[C@H](CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000329952833 437435818 /nfs/dbraw/zinc/43/58/18/437435818.db2.gz IZCFPVNJNUABIJ-OAHLLOKOSA-N 1 2 340.468 0.859 20 30 ECEDLO C[C@H](CN1CCCC1=O)NC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000329995496 437443318 /nfs/dbraw/zinc/44/33/18/437443318.db2.gz NGWXBTGVJBUDCH-ZIAGYGMSSA-N 1 2 348.451 0.634 20 30 ECEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCC2(S(C)(=O)=O)CC2)C1 ZINC000330004864 437444290 /nfs/dbraw/zinc/44/42/90/437444290.db2.gz BLQFQVSSQHLPJU-NSHDSACASA-N 1 2 326.422 0.701 20 30 ECEDLO C[C@@H]1CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H](C)S1=O ZINC000330100309 437453568 /nfs/dbraw/zinc/45/35/68/437453568.db2.gz DULMKSXDJXMEHK-ZIAGYGMSSA-N 1 2 345.509 0.895 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC(O[C@H]2CCOC2)CC1 ZINC000330125443 437457778 /nfs/dbraw/zinc/45/77/78/437457778.db2.gz CQAAKRDVJDJZIR-ZBFHGGJFSA-N 1 2 341.452 0.891 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000330383880 437498392 /nfs/dbraw/zinc/49/83/92/437498392.db2.gz KDRPDKWTAGEEJY-ZDUSSCGKSA-N 1 2 332.470 0.413 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000330383880 437498396 /nfs/dbraw/zinc/49/83/96/437498396.db2.gz KDRPDKWTAGEEJY-ZDUSSCGKSA-N 1 2 332.470 0.413 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000339989681 437542168 /nfs/dbraw/zinc/54/21/68/437542168.db2.gz SXHJNAZLVRRSIX-UHFFFAOYSA-N 1 2 346.431 0.959 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000330511991 437536087 /nfs/dbraw/zinc/53/60/87/437536087.db2.gz JZQJJNVPHQFZJV-SMDDNHRTSA-N 1 2 330.454 0.182 20 30 ECEDLO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000330568241 437554190 /nfs/dbraw/zinc/55/41/90/437554190.db2.gz LTMWJVRWQCZFAT-CHWSQXEVSA-N 1 2 326.441 0.516 20 30 ECEDLO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000330568241 437554194 /nfs/dbraw/zinc/55/41/94/437554194.db2.gz LTMWJVRWQCZFAT-CHWSQXEVSA-N 1 2 326.441 0.516 20 30 ECEDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000330632908 437572427 /nfs/dbraw/zinc/57/24/27/437572427.db2.gz RNWNEOTWDJSKSB-NWDGAFQWSA-N 1 2 348.469 0.075 20 30 ECEDLO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000330632908 437572431 /nfs/dbraw/zinc/57/24/31/437572431.db2.gz RNWNEOTWDJSKSB-NWDGAFQWSA-N 1 2 348.469 0.075 20 30 ECEDLO C=C(C)CN(C)C(=O)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000340104051 437573225 /nfs/dbraw/zinc/57/32/25/437573225.db2.gz IIJYWVDOSICINW-AWEZNQCLSA-N 1 2 346.431 0.957 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000330644804 437576625 /nfs/dbraw/zinc/57/66/25/437576625.db2.gz FSGVAOKIDPPMPE-YJBOKZPZSA-N 1 2 346.479 0.981 20 30 ECEDLO Cn1c(NCc2cccc(-n3cc[nH+]c3)c2)c(C#N)c(=O)n(C)c1=O ZINC000360353981 437588269 /nfs/dbraw/zinc/58/82/69/437588269.db2.gz NUOITMVIYATYSZ-UHFFFAOYSA-N 1 2 336.355 0.753 20 30 ECEDLO C[C@@H]1CS(=O)(=O)CCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000330833755 437626628 /nfs/dbraw/zinc/62/66/28/437626628.db2.gz VTVCCGXJYODZMQ-NEPJUHHUSA-N 1 2 346.453 0.409 20 30 ECEDLO C[C@@H]1CS(=O)(=O)CCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000330833755 437626633 /nfs/dbraw/zinc/62/66/33/437626633.db2.gz VTVCCGXJYODZMQ-NEPJUHHUSA-N 1 2 346.453 0.409 20 30 ECEDLO Cn1ncc2c1nc(N1CC[C@H](Oc3ccc(C#N)cn3)C1)[nH+]c2N ZINC000291931479 437640323 /nfs/dbraw/zinc/64/03/23/437640323.db2.gz SFXJGLJMRVMJKU-NSHDSACASA-N 1 2 336.359 0.870 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000360753990 437646198 /nfs/dbraw/zinc/64/61/98/437646198.db2.gz KREJMPGHODDXNE-LLVKDONJSA-N 1 2 347.400 0.607 20 30 ECEDLO CNC(=O)N[C@H]1CC[N@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000330957847 437658124 /nfs/dbraw/zinc/65/81/24/437658124.db2.gz WCGFSZIEXGNKOR-ZDUSSCGKSA-N 1 2 340.449 0.645 20 30 ECEDLO CNC(=O)N[C@H]1CC[N@@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000330957847 437658130 /nfs/dbraw/zinc/65/81/30/437658130.db2.gz WCGFSZIEXGNKOR-ZDUSSCGKSA-N 1 2 340.449 0.645 20 30 ECEDLO CC(C)CNC(=O)NC(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355109588 437670923 /nfs/dbraw/zinc/67/09/23/437670923.db2.gz VMNPPSIFBKTJEG-UHFFFAOYSA-N 1 2 344.419 0.557 20 30 ECEDLO CC(C)N(C)c1cnn([C@@H]2CCC[N@H+](CC(=O)NCC#N)C2)c(=O)c1 ZINC000331106739 437690202 /nfs/dbraw/zinc/69/02/02/437690202.db2.gz IXPYPUIMOPHSIR-CQSZACIVSA-N 1 2 346.435 0.365 20 30 ECEDLO CC(C)N(C)c1cnn([C@@H]2CCC[N@@H+](CC(=O)NCC#N)C2)c(=O)c1 ZINC000331106739 437690204 /nfs/dbraw/zinc/69/02/04/437690204.db2.gz IXPYPUIMOPHSIR-CQSZACIVSA-N 1 2 346.435 0.365 20 30 ECEDLO Cc1ccc(NC(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)c(C)[nH+]1 ZINC000331131165 437695738 /nfs/dbraw/zinc/69/57/38/437695738.db2.gz QEKUPHIADOULRZ-GFCCVEGCSA-N 1 2 327.406 0.725 20 30 ECEDLO Cc1nc(C)c(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)c(=O)[nH]1 ZINC000355323231 437697590 /nfs/dbraw/zinc/69/75/90/437697590.db2.gz WJBPPNXBDBJXDK-UHFFFAOYSA-N 1 2 347.419 0.416 20 30 ECEDLO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC1 ZINC000331169001 437705945 /nfs/dbraw/zinc/70/59/45/437705945.db2.gz UBPQTIYEDYJLKI-CQSZACIVSA-N 1 2 338.433 0.339 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)NCCCC#N)CC1 ZINC000343991286 437713634 /nfs/dbraw/zinc/71/36/34/437713634.db2.gz KVNQVPHEGHEAFA-AWEZNQCLSA-N 1 2 339.440 0.159 20 30 ECEDLO N#Cc1c(F)cccc1CN1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000362288859 437728754 /nfs/dbraw/zinc/72/87/54/437728754.db2.gz YXVQFHWSGOXSKU-UHFFFAOYSA-N 1 2 346.406 0.674 20 30 ECEDLO N#CCNC(=O)CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000344165856 437741281 /nfs/dbraw/zinc/74/12/81/437741281.db2.gz CBNJQECLCFSARW-OAHLLOKOSA-N 1 2 332.429 0.532 20 30 ECEDLO CC1CCN(c2ccc(CNC(=O)NCC(=O)NCC#N)c[nH+]2)CC1 ZINC000344273322 437750313 /nfs/dbraw/zinc/75/03/13/437750313.db2.gz TVLPJQOIRPXKII-UHFFFAOYSA-N 1 2 344.419 0.757 20 30 ECEDLO C=C[C@@](C)(CCOC)C(=O)N1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000364843738 437824685 /nfs/dbraw/zinc/82/46/85/437824685.db2.gz YTBLSQCMRMVPRG-SFHVURJKSA-N 1 2 337.464 0.980 20 30 ECEDLO C=C[C@@](C)(CCOC)C(=O)N1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000364843738 437824690 /nfs/dbraw/zinc/82/46/90/437824690.db2.gz YTBLSQCMRMVPRG-SFHVURJKSA-N 1 2 337.464 0.980 20 30 ECEDLO COCCC[N@H+](CC(=O)NC1(C#N)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000346993373 437825780 /nfs/dbraw/zinc/82/57/80/437825780.db2.gz ZMNGXFCQICHBFR-CYBMUJFWSA-N 1 2 343.449 0.074 20 30 ECEDLO COCCC[N@@H+](CC(=O)NC1(C#N)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000346993373 437825790 /nfs/dbraw/zinc/82/57/90/437825790.db2.gz ZMNGXFCQICHBFR-CYBMUJFWSA-N 1 2 343.449 0.074 20 30 ECEDLO Cc1ccc(C(=O)NCCc2[nH]cc[nH+]2)cc1S(=O)(=O)NCC#N ZINC000345176978 437780964 /nfs/dbraw/zinc/78/09/64/437780964.db2.gz ZZGHXAZEDXJQKQ-UHFFFAOYSA-N 1 2 347.400 0.493 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000345274986 437785863 /nfs/dbraw/zinc/78/58/63/437785863.db2.gz TYWFBQQQGXIMLE-ZIAGYGMSSA-N 1 2 330.454 0.262 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000345835014 437800240 /nfs/dbraw/zinc/80/02/40/437800240.db2.gz BLJKEEYKYYZVAM-HNNXBMFYSA-N 1 2 347.463 0.177 20 30 ECEDLO CC(C)NC(=O)C[NH+]1CCN([C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000345805963 437800809 /nfs/dbraw/zinc/80/08/09/437800809.db2.gz DLMDAECTVVCVRU-CQSZACIVSA-N 1 2 335.452 0.080 20 30 ECEDLO CCc1nc(C[NH+]2C[C@H]3CN(c4nccnc4C#N)C[C@@H]3C2)no1 ZINC000370771056 437836129 /nfs/dbraw/zinc/83/61/29/437836129.db2.gz HPSPYDWPKWMEIA-RYUDHWBXSA-N 1 2 325.376 0.862 20 30 ECEDLO C[C@](C#N)(NC(=O)CN1CC[NH+](C2(C(N)=O)CCCC2)CC1)C1CC1 ZINC000370790846 437838666 /nfs/dbraw/zinc/83/86/66/437838666.db2.gz RRTRHRBXPHSWNI-QGZVFWFLSA-N 1 2 347.463 0.211 20 30 ECEDLO C=CC[C@@H](CO)CNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000341860126 437914558 /nfs/dbraw/zinc/91/45/58/437914558.db2.gz OISIBFOCRGKFAA-OAHLLOKOSA-N 1 2 334.420 0.902 20 30 ECEDLO CCN(CC#N)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000365306428 437892609 /nfs/dbraw/zinc/89/26/09/437892609.db2.gz MGUPLKLAJLTBAK-QGZVFWFLSA-N 1 2 330.432 0.849 20 30 ECEDLO CCN(CC#N)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000365306428 437892615 /nfs/dbraw/zinc/89/26/15/437892615.db2.gz MGUPLKLAJLTBAK-QGZVFWFLSA-N 1 2 330.432 0.849 20 30 ECEDLO COC[C@@H]1CN(CC#CC[N@@H+]2C[C@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000342137515 437972879 /nfs/dbraw/zinc/97/28/79/437972879.db2.gz UVVSQDPWAASHIH-XSLAGTTESA-N 1 2 340.464 0.461 20 30 ECEDLO COC[C@@H]1CN(CC#CC[N@H+]2C[C@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000342137515 437972884 /nfs/dbraw/zinc/97/28/84/437972884.db2.gz UVVSQDPWAASHIH-XSLAGTTESA-N 1 2 340.464 0.461 20 30 ECEDLO Cc1cc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)ccc1C#N ZINC000416670998 437985822 /nfs/dbraw/zinc/98/58/22/437985822.db2.gz UYWVGERJTCCWLA-KBPBESRZSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)ccc1C#N ZINC000416670998 437985825 /nfs/dbraw/zinc/98/58/25/437985825.db2.gz UYWVGERJTCCWLA-KBPBESRZSA-N 1 2 337.445 0.942 20 30 ECEDLO O=C(C#Cc1ccccc1)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000365922376 437990340 /nfs/dbraw/zinc/99/03/40/437990340.db2.gz SOAHODXYVOSPFO-QGZVFWFLSA-N 1 2 325.412 0.851 20 30 ECEDLO CC[N@H+](CCCSCC#N)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000342632721 438040409 /nfs/dbraw/zinc/04/04/09/438040409.db2.gz NAVSTTCSNRFYMJ-LBPRGKRZSA-N 1 2 333.479 0.258 20 30 ECEDLO CC[N@@H+](CCCSCC#N)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000342632721 438040414 /nfs/dbraw/zinc/04/04/14/438040414.db2.gz NAVSTTCSNRFYMJ-LBPRGKRZSA-N 1 2 333.479 0.258 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000429409762 438102662 /nfs/dbraw/zinc/10/26/62/438102662.db2.gz YXEKRHNABQFKOM-UMVBOHGHSA-N 1 2 329.466 0.796 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000429409762 438102663 /nfs/dbraw/zinc/10/26/63/438102663.db2.gz YXEKRHNABQFKOM-UMVBOHGHSA-N 1 2 329.466 0.796 20 30 ECEDLO CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(CC#N)cc1 ZINC000342765234 438060075 /nfs/dbraw/zinc/06/00/75/438060075.db2.gz MWUAKPJQNAETDS-MRXNPFEDSA-N 1 2 349.456 0.878 20 30 ECEDLO CC[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(CC#N)cc1 ZINC000342765234 438060077 /nfs/dbraw/zinc/06/00/77/438060077.db2.gz MWUAKPJQNAETDS-MRXNPFEDSA-N 1 2 349.456 0.878 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1CCS(C)(=O)=O ZINC000366377940 438062055 /nfs/dbraw/zinc/06/20/55/438062055.db2.gz NDBUHKLLVWWLSE-GFCCVEGCSA-N 1 2 331.438 0.287 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1CCS(C)(=O)=O ZINC000366377940 438062062 /nfs/dbraw/zinc/06/20/62/438062062.db2.gz NDBUHKLLVWWLSE-GFCCVEGCSA-N 1 2 331.438 0.287 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)C1=O ZINC000367252768 438189539 /nfs/dbraw/zinc/18/95/39/438189539.db2.gz OAPOXQPQLHZAEQ-AWEZNQCLSA-N 1 2 327.450 0.273 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)C1=O ZINC000367252768 438189544 /nfs/dbraw/zinc/18/95/44/438189544.db2.gz OAPOXQPQLHZAEQ-AWEZNQCLSA-N 1 2 327.450 0.273 20 30 ECEDLO N#CCNC(=O)CNC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000358274997 438192931 /nfs/dbraw/zinc/19/29/31/438192931.db2.gz MMLNQKTWJFCBAF-UHFFFAOYSA-N 1 2 333.367 0.293 20 30 ECEDLO N#C[C@@H]1CN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCO1 ZINC000358294154 438195114 /nfs/dbraw/zinc/19/51/14/438195114.db2.gz BJJPOGFUBFNKOA-HIFRSBDPSA-N 1 2 340.449 0.128 20 30 ECEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC(=O)NCC#N)c1cccc(F)c1 ZINC000358318769 438199881 /nfs/dbraw/zinc/19/98/81/438199881.db2.gz WYCBYZYIBFIFBE-CQSZACIVSA-N 1 2 344.350 0.588 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000374415709 438206445 /nfs/dbraw/zinc/20/64/45/438206445.db2.gz OIGLUFQTOSUHRW-KFWWJZLASA-N 1 2 344.481 0.556 20 30 ECEDLO N#Cc1ncn(CCNC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000367854935 438258287 /nfs/dbraw/zinc/25/82/87/438258287.db2.gz DLIMFTSWICNUCB-CYBMUJFWSA-N 1 2 340.391 0.513 20 30 ECEDLO Cc1[nH+]c[nH]c1CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000358590476 438262820 /nfs/dbraw/zinc/26/28/20/438262820.db2.gz DTRXYOPVMQZKNG-UHFFFAOYSA-N 1 2 332.385 0.821 20 30 ECEDLO CCN(CCC#N)C(=O)CN1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000375866698 438264045 /nfs/dbraw/zinc/26/40/45/438264045.db2.gz AZQPNGXTOSKKEP-HNNXBMFYSA-N 1 2 335.452 0.035 20 30 ECEDLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)NC3(C#N)CCCCC3)CCN2C1=O ZINC000375873404 438264225 /nfs/dbraw/zinc/26/42/25/438264225.db2.gz OLVLJRDHUMBABR-CYBMUJFWSA-N 1 2 347.419 0.297 20 30 ECEDLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)NC3(C#N)CCCCC3)CCN2C1=O ZINC000375873404 438264230 /nfs/dbraw/zinc/26/42/30/438264230.db2.gz OLVLJRDHUMBABR-CYBMUJFWSA-N 1 2 347.419 0.297 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2C[C@@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000368477592 438335809 /nfs/dbraw/zinc/33/58/09/438335809.db2.gz LECFLCOIDNPHAS-KBXIAJHMSA-N 1 2 337.420 0.932 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2C[C@@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000368477592 438335812 /nfs/dbraw/zinc/33/58/12/438335812.db2.gz LECFLCOIDNPHAS-KBXIAJHMSA-N 1 2 337.420 0.932 20 30 ECEDLO C#CCC(CC#C)C(=O)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000376994175 438298169 /nfs/dbraw/zinc/29/81/69/438298169.db2.gz SSROTLNWEBCUQH-QGZVFWFLSA-N 1 2 345.443 0.089 20 30 ECEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](O)C[C@H]2CO)cc1 ZINC000352031620 438371971 /nfs/dbraw/zinc/37/19/71/438371971.db2.gz GDMDFOPPLYDBHN-JKSUJKDBSA-N 1 2 347.415 0.759 20 30 ECEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](O)C[C@H]2CO)cc1 ZINC000352031620 438371976 /nfs/dbraw/zinc/37/19/76/438371976.db2.gz GDMDFOPPLYDBHN-JKSUJKDBSA-N 1 2 347.415 0.759 20 30 ECEDLO C[C@H]1COCC[N@@H+]1CCN1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000369190507 438434533 /nfs/dbraw/zinc/43/45/33/438434533.db2.gz YZUZVCUPYICXQB-INIZCTEOSA-N 1 2 342.443 0.923 20 30 ECEDLO C[C@H]1COCC[N@H+]1CCN1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000369190507 438434540 /nfs/dbraw/zinc/43/45/40/438434540.db2.gz YZUZVCUPYICXQB-INIZCTEOSA-N 1 2 342.443 0.923 20 30 ECEDLO C=CCCCCNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000352184337 438395013 /nfs/dbraw/zinc/39/50/13/438395013.db2.gz PMZQCSKVBLOUIT-UHFFFAOYSA-N 1 2 349.435 0.626 20 30 ECEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352889413 438488159 /nfs/dbraw/zinc/48/81/59/438488159.db2.gz YNFMWGJFWMNJQP-XYPHTWIQSA-N 1 2 328.416 0.880 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN([C@H](CC)C(=O)OC)CC1 ZINC000352666134 438458130 /nfs/dbraw/zinc/45/81/30/438458130.db2.gz GNPBGERFFARPJZ-OAHLLOKOSA-N 1 2 325.453 0.980 20 30 ECEDLO C=CCCO[C@H](C)C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000353213110 438503606 /nfs/dbraw/zinc/50/36/06/438503606.db2.gz ZMMOFJNDQVKOCJ-HZPDHXFCSA-N 1 2 326.437 0.917 20 30 ECEDLO N#Cc1cc(C(=O)N2CC[NH+](CCn3cncn3)CC2)ccc1F ZINC000353238588 438503895 /nfs/dbraw/zinc/50/38/95/438503895.db2.gz YGUIQZREWNAFPI-UHFFFAOYSA-N 1 2 328.351 0.747 20 30 ECEDLO C[C@@H]1C[N@H+](C[C@H]2CN(C)CCO2)CCN1C(=O)C1(C#N)CCCC1 ZINC000370050925 438544924 /nfs/dbraw/zinc/54/49/24/438544924.db2.gz UGDUNJJXFUXEPN-HZPDHXFCSA-N 1 2 334.464 0.934 20 30 ECEDLO C[C@@H]1C[N@@H+](C[C@H]2CN(C)CCO2)CCN1C(=O)C1(C#N)CCCC1 ZINC000370050925 438544926 /nfs/dbraw/zinc/54/49/26/438544926.db2.gz UGDUNJJXFUXEPN-HZPDHXFCSA-N 1 2 334.464 0.934 20 30 ECEDLO C=CCCCN(C)C(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000410689034 438628465 /nfs/dbraw/zinc/62/84/65/438628465.db2.gz PBCLETYZVZXTHY-UHFFFAOYSA-N 1 2 325.453 0.980 20 30 ECEDLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000452100742 438641167 /nfs/dbraw/zinc/64/11/67/438641167.db2.gz FEJTZZTUJWDORT-NSHDSACASA-N 1 2 343.836 0.899 20 30 ECEDLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000452100742 438641168 /nfs/dbraw/zinc/64/11/68/438641168.db2.gz FEJTZZTUJWDORT-NSHDSACASA-N 1 2 343.836 0.899 20 30 ECEDLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cc(C)cc(C#N)c2)CC1 ZINC000453685533 438688503 /nfs/dbraw/zinc/68/85/03/438688503.db2.gz CJLNCRGWISXWDA-UHFFFAOYSA-N 1 2 330.388 0.596 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000450233829 438690719 /nfs/dbraw/zinc/69/07/19/438690719.db2.gz OWVXFNYZKSGSDI-UHFFFAOYSA-N 1 2 329.360 0.891 20 30 ECEDLO COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1 ZINC000451268889 438696778 /nfs/dbraw/zinc/69/67/78/438696778.db2.gz NJXJSWMILWDIIK-CYBMUJFWSA-N 1 2 345.465 0.825 20 30 ECEDLO COc1ccc(-n2nnnc2SC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000414097543 438699272 /nfs/dbraw/zinc/69/92/72/438699272.db2.gz NOQWCXXKFHSKCD-CYBMUJFWSA-N 1 2 348.432 0.969 20 30 ECEDLO COc1ccc(-n2nnnc2SC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000414097543 438699277 /nfs/dbraw/zinc/69/92/77/438699277.db2.gz NOQWCXXKFHSKCD-CYBMUJFWSA-N 1 2 348.432 0.969 20 30 ECEDLO COC(=O)c1cc(OC[C@@H](O)C[N@H+](C)CCC#N)ccc1[N+](=O)[O-] ZINC000414144030 438699889 /nfs/dbraw/zinc/69/98/89/438699889.db2.gz JHGVAJIHFKGDIY-NSHDSACASA-N 1 2 337.332 0.967 20 30 ECEDLO COC(=O)c1cc(OC[C@@H](O)C[N@@H+](C)CCC#N)ccc1[N+](=O)[O-] ZINC000414144030 438699890 /nfs/dbraw/zinc/69/98/90/438699890.db2.gz JHGVAJIHFKGDIY-NSHDSACASA-N 1 2 337.332 0.967 20 30 ECEDLO Cn1ncc2c1nc(N)[nH+]c2N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000575002284 438732348 /nfs/dbraw/zinc/73/23/48/438732348.db2.gz DCYAKQJQHMTFGY-NSHDSACASA-N 1 2 336.359 0.870 20 30 ECEDLO C=CCn1c(C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000548848957 438734079 /nfs/dbraw/zinc/73/40/79/438734079.db2.gz MUDYQFJEMWKDSH-CQSZACIVSA-N 1 2 348.451 0.142 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2CCO)s1 ZINC000451673717 438707189 /nfs/dbraw/zinc/70/71/89/438707189.db2.gz VYYSZSDTJFOESJ-NSHDSACASA-N 1 2 329.447 0.745 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000554518550 438766457 /nfs/dbraw/zinc/76/64/57/438766457.db2.gz WFHIVUWEPCZBDU-HUUCEWRRSA-N 1 2 344.481 0.700 20 30 ECEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)CCCCC1 ZINC000576236642 438773411 /nfs/dbraw/zinc/77/34/11/438773411.db2.gz YBHGATVNWALAFE-OAHLLOKOSA-N 1 2 346.435 0.750 20 30 ECEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)CCCCC1 ZINC000576236642 438773414 /nfs/dbraw/zinc/77/34/14/438773414.db2.gz YBHGATVNWALAFE-OAHLLOKOSA-N 1 2 346.435 0.750 20 30 ECEDLO C=CCn1c(CC)nnc1N1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000558674981 438820718 /nfs/dbraw/zinc/82/07/18/438820718.db2.gz VULSBIGRFHZOFT-UHFFFAOYSA-N 1 2 348.451 0.007 20 30 ECEDLO C=C(C)Cn1c(CC)nnc1N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000559007078 438833402 /nfs/dbraw/zinc/83/34/02/438833402.db2.gz FQIHTWLQTJOKHA-UHFFFAOYSA-N 1 2 332.452 0.817 20 30 ECEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000514820980 438833619 /nfs/dbraw/zinc/83/36/19/438833619.db2.gz WQBZTNHTIQISSA-LBPRGKRZSA-N 1 2 347.400 0.238 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)nc1 ZINC000595729902 438852739 /nfs/dbraw/zinc/85/27/39/438852739.db2.gz WOCMATTYZWUKIV-UONOGXRCSA-N 1 2 348.428 0.327 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)nc1 ZINC000595729902 438852741 /nfs/dbraw/zinc/85/27/41/438852741.db2.gz WOCMATTYZWUKIV-UONOGXRCSA-N 1 2 348.428 0.327 20 30 ECEDLO COC(=O)[C@H]1C[C@@H]([N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000595857397 438870953 /nfs/dbraw/zinc/87/09/53/438870953.db2.gz WNZWXPUWQWVFKK-BETUJISGSA-N 1 2 337.401 0.610 20 30 ECEDLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000595857397 438870956 /nfs/dbraw/zinc/87/09/56/438870956.db2.gz WNZWXPUWQWVFKK-BETUJISGSA-N 1 2 337.401 0.610 20 30 ECEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCOC[C@@H]1C#N ZINC000589433049 438871901 /nfs/dbraw/zinc/87/19/01/438871901.db2.gz WVCJNHPXRQVBHQ-KBPBESRZSA-N 1 2 333.392 0.234 20 30 ECEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCOC[C@@H]1C#N ZINC000589433049 438871902 /nfs/dbraw/zinc/87/19/02/438871902.db2.gz WVCJNHPXRQVBHQ-KBPBESRZSA-N 1 2 333.392 0.234 20 30 ECEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(c3c(C#N)cnn3C)CC2)C1 ZINC000596060994 438920046 /nfs/dbraw/zinc/92/00/46/438920046.db2.gz MGYGEFIAKFVMHJ-HUUCEWRRSA-N 1 2 344.463 0.918 20 30 ECEDLO N#CCCN(CCN1CCOCC1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000565366858 438947153 /nfs/dbraw/zinc/94/71/53/438947153.db2.gz HURZIONQNIZCCG-HNNXBMFYSA-N 1 2 331.420 0.520 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000565541557 438960085 /nfs/dbraw/zinc/96/00/85/438960085.db2.gz SICOGFUMAUNEIK-INIZCTEOSA-N 1 2 329.360 0.062 20 30 ECEDLO C[C@@H](C#N)CNC(=O)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000596552202 438976263 /nfs/dbraw/zinc/97/62/63/438976263.db2.gz SVSCVSOWLHGVSW-MAUKXSAKSA-N 1 2 346.431 0.709 20 30 ECEDLO C[C@@H](C#N)CNC(=O)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000596552202 438976269 /nfs/dbraw/zinc/97/62/69/438976269.db2.gz SVSCVSOWLHGVSW-MAUKXSAKSA-N 1 2 346.431 0.709 20 30 ECEDLO C=CCCOCC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000591211412 438992120 /nfs/dbraw/zinc/99/21/20/438992120.db2.gz UDOJFSPRLSUMQQ-UHFFFAOYSA-N 1 2 346.431 0.992 20 30 ECEDLO Cc1cc(NC(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)nn1CCC#N ZINC000596817041 439004699 /nfs/dbraw/zinc/00/46/99/439004699.db2.gz SXFUQJMFZUHQFV-ZIAGYGMSSA-N 1 2 334.424 1.336 20 30 ECEDLO Cc1cc(NC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)nn1CCC#N ZINC000596817041 439004701 /nfs/dbraw/zinc/00/47/01/439004701.db2.gz SXFUQJMFZUHQFV-ZIAGYGMSSA-N 1 2 334.424 1.336 20 30 ECEDLO C=CCN(CC=C)C(=O)C(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000459820063 439006859 /nfs/dbraw/zinc/00/68/59/439006859.db2.gz WXHKSLXWRLEJEF-CQSZACIVSA-N 1 2 331.420 0.816 20 30 ECEDLO Cc1cn2ccc(NC(=O)C(=O)N3CCN(CCC#N)CC3)cc2[nH+]1 ZINC000602081078 439007929 /nfs/dbraw/zinc/00/79/29/439007929.db2.gz YTOSUJOFVGWZQQ-UHFFFAOYSA-N 1 2 340.387 0.639 20 30 ECEDLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000579475461 439012012 /nfs/dbraw/zinc/01/20/12/439012012.db2.gz WGXHEQLRZDLDKM-ZDUSSCGKSA-N 1 2 334.405 0.115 20 30 ECEDLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000579475461 439012022 /nfs/dbraw/zinc/01/20/22/439012022.db2.gz WGXHEQLRZDLDKM-ZDUSSCGKSA-N 1 2 334.405 0.115 20 30 ECEDLO Cc1nn(C)c(N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)c1C#N ZINC000602142435 439021119 /nfs/dbraw/zinc/02/11/19/439021119.db2.gz QALHIJNEMARLJT-CHWSQXEVSA-N 1 2 339.403 0.776 20 30 ECEDLO Cc1nn(C)c(N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)c1C#N ZINC000602142435 439021123 /nfs/dbraw/zinc/02/11/23/439021123.db2.gz QALHIJNEMARLJT-CHWSQXEVSA-N 1 2 339.403 0.776 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CCC#N)CCN1CCOCC1 ZINC000597022287 439029660 /nfs/dbraw/zinc/02/96/60/439029660.db2.gz OFSDRENZSFOFPS-HUUCEWRRSA-N 1 2 331.420 0.598 20 30 ECEDLO COc1ccc(CNC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1OC ZINC000592148607 439167566 /nfs/dbraw/zinc/16/75/66/439167566.db2.gz XNVLFRUZRCXWER-KRWDZBQOSA-N 1 2 333.388 0.670 20 30 ECEDLO COc1ccc(CNC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)cc1OC ZINC000592148607 439167570 /nfs/dbraw/zinc/16/75/70/439167570.db2.gz XNVLFRUZRCXWER-KRWDZBQOSA-N 1 2 333.388 0.670 20 30 ECEDLO CC[N@@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)C[C@H](C)C#N ZINC000602770356 439131406 /nfs/dbraw/zinc/13/14/06/439131406.db2.gz QLWPVARXDAYNBZ-GFCCVEGCSA-N 1 2 330.454 0.008 20 30 ECEDLO CC[N@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)C[C@H](C)C#N ZINC000602770356 439131411 /nfs/dbraw/zinc/13/14/11/439131411.db2.gz QLWPVARXDAYNBZ-GFCCVEGCSA-N 1 2 330.454 0.008 20 30 ECEDLO N#Cc1ccncc1N1CC[NH+](CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000567327264 439133278 /nfs/dbraw/zinc/13/32/78/439133278.db2.gz PXRRCAFFRROWPL-CALCHBBNSA-N 1 2 327.432 0.938 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)c(C)n2)CC1 ZINC000488053175 439173561 /nfs/dbraw/zinc/17/35/61/439173561.db2.gz SZWDIRTXKYCAJJ-OAHLLOKOSA-N 1 2 345.447 0.925 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1)C1CC1 ZINC000602924311 439163076 /nfs/dbraw/zinc/16/30/76/439163076.db2.gz NWEITYJEHCIUHD-NUJGCVRESA-N 1 2 329.400 0.919 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1)C1CC1 ZINC000602924311 439163083 /nfs/dbraw/zinc/16/30/83/439163083.db2.gz NWEITYJEHCIUHD-NUJGCVRESA-N 1 2 329.400 0.919 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000592192286 439174980 /nfs/dbraw/zinc/17/49/80/439174980.db2.gz BTVKGHMYTCZKOC-CYZMBNFOSA-N 1 2 349.387 0.951 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000592192286 439174985 /nfs/dbraw/zinc/17/49/85/439174985.db2.gz BTVKGHMYTCZKOC-CYZMBNFOSA-N 1 2 349.387 0.951 20 30 ECEDLO Cn1cc[nH+]c1[C@H](NC(=O)CNc1ccc(C#N)cn1)C(C)(C)CO ZINC000597847712 439192525 /nfs/dbraw/zinc/19/25/25/439192525.db2.gz RDOBRXFCCKVSJY-HNNXBMFYSA-N 1 2 342.403 0.975 20 30 ECEDLO C=CCCCS(=O)(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC000489135008 439214321 /nfs/dbraw/zinc/21/43/21/439214321.db2.gz OXJRORRBXJDMKK-UHFFFAOYSA-N 1 2 331.482 0.863 20 30 ECEDLO C[C@H]1CC[N@H+](CCNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC000525805431 439217785 /nfs/dbraw/zinc/21/77/85/439217785.db2.gz CIKIUJSBCVGSTH-AWEZNQCLSA-N 1 2 349.456 0.931 20 30 ECEDLO C[C@H]1CC[N@@H+](CCNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC000525805431 439217790 /nfs/dbraw/zinc/21/77/90/439217790.db2.gz CIKIUJSBCVGSTH-AWEZNQCLSA-N 1 2 349.456 0.931 20 30 ECEDLO 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/nfs/dbraw/zinc/28/50/58/439285058.db2.gz XAXIKUNRUYWNBJ-HNNXBMFYSA-N 1 2 340.424 0.557 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2C(=O)NC2CC2)CC1 ZINC000490762722 439296845 /nfs/dbraw/zinc/29/68/45/439296845.db2.gz KSNZEURYYVLRQB-UHFFFAOYSA-N 1 2 340.427 0.768 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(-n3cnnn3)c2C)CC1 ZINC000490780218 439299214 /nfs/dbraw/zinc/29/92/14/439299214.db2.gz GPMCRLZKQHGUSC-UHFFFAOYSA-N 1 2 339.403 0.160 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000582249915 439311076 /nfs/dbraw/zinc/31/10/76/439311076.db2.gz CTLSSEPPYBREDC-QWHCGFSZSA-N 1 2 339.403 0.987 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000582249915 439311080 /nfs/dbraw/zinc/31/10/80/439311080.db2.gz CTLSSEPPYBREDC-QWHCGFSZSA-N 1 2 339.403 0.987 20 30 ECEDLO CC(=O)NCC(=O)N1CCC[N@H+](Cc2ccc(F)cc2C#N)CC1 ZINC000528730047 439362544 /nfs/dbraw/zinc/36/25/44/439362544.db2.gz OFIHJNMSBIIFAF-UHFFFAOYSA-N 1 2 332.379 0.868 20 30 ECEDLO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2C#N)CC1 ZINC000528730047 439362547 /nfs/dbraw/zinc/36/25/47/439362547.db2.gz OFIHJNMSBIIFAF-UHFFFAOYSA-N 1 2 332.379 0.868 20 30 ECEDLO CCOC[C@H]1CN(CC#CC[N@@H+]2CCO[C@@H](COCC)C2)CCO1 ZINC000528725851 439364321 /nfs/dbraw/zinc/36/43/21/439364321.db2.gz VGLGVXCXBFBAES-QZTJIDSGSA-N 1 2 340.464 0.464 20 30 ECEDLO CCOC[C@H]1CN(CC#CC[N@H+]2CCO[C@@H](COCC)C2)CCO1 ZINC000528725851 439364326 /nfs/dbraw/zinc/36/43/26/439364326.db2.gz VGLGVXCXBFBAES-QZTJIDSGSA-N 1 2 340.464 0.464 20 30 ECEDLO CN(C)C(=O)C[NH+]1CCN(c2nc3c(cc2C#N)COCC3)CC1 ZINC000599015282 439343135 /nfs/dbraw/zinc/34/31/35/439343135.db2.gz IZWYERPXLLANJE-UHFFFAOYSA-N 1 2 329.404 0.236 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(C(=O)N(C)OC)cc2)CC1 ZINC000491210550 439349701 /nfs/dbraw/zinc/34/97/01/439349701.db2.gz VYZBTUUSUMZKHW-UHFFFAOYSA-N 1 2 344.415 0.509 20 30 ECEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000528635298 439355934 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C=CC[NH+]1CCC(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599232422 439392142 /nfs/dbraw/zinc/39/21/42/439392142.db2.gz LHCSGSMTELMLOP-UHFFFAOYSA-N 1 2 329.382 0.257 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(CCOC)Cc2ccccn2)CC1 ZINC000491654853 439419196 /nfs/dbraw/zinc/41/91/96/439419196.db2.gz FPOAOTNZSKOKAU-UHFFFAOYSA-N 1 2 330.432 0.307 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c(Cl)c1 ZINC000593651274 439436046 /nfs/dbraw/zinc/43/60/46/439436046.db2.gz BCFJVHZILRPNIZ-GFCCVEGCSA-N 1 2 341.820 0.651 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c(Cl)c1 ZINC000593651274 439436053 /nfs/dbraw/zinc/43/60/53/439436053.db2.gz BCFJVHZILRPNIZ-GFCCVEGCSA-N 1 2 341.820 0.651 20 30 ECEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc(CC#N)cc1 ZINC000583262032 439441327 /nfs/dbraw/zinc/44/13/27/439441327.db2.gz HZQKJRWYGLQVRT-ZDUSSCGKSA-N 1 2 325.372 0.770 20 30 ECEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)NN1C(=O)N[C@@](CC)(c2ccccc2)C1=O ZINC000491779253 439449170 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/nfs/dbraw/zinc/57/12/21/439571221.db2.gz SSWLICPYJIMGOM-OAGGEKHMSA-N 1 2 349.479 0.265 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000594815833 439619219 /nfs/dbraw/zinc/61/92/19/439619219.db2.gz BTBMKXFTZXITQR-MGPQQGTHSA-N 1 2 332.470 0.412 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000594815833 439619222 /nfs/dbraw/zinc/61/92/22/439619222.db2.gz BTBMKXFTZXITQR-MGPQQGTHSA-N 1 2 332.470 0.412 20 30 ECEDLO CCS(=O)(=O)NCCC[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000584387290 439582830 /nfs/dbraw/zinc/58/28/30/439582830.db2.gz LCXSODNCWQGTRG-UHFFFAOYSA-N 1 2 337.449 0.405 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCn1nnc2ccccc2c1=O ZINC000584386184 439583581 /nfs/dbraw/zinc/58/35/81/439583581.db2.gz VFGFWPGEQSWTSM-INIZCTEOSA-N 1 2 328.376 0.142 20 30 ECEDLO C[N@H+](C[C@H]1COCCO1)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000594660873 439588540 /nfs/dbraw/zinc/58/85/40/439588540.db2.gz RZHNIRZMAGVXJF-LSDHHAIUSA-N 1 2 329.356 0.537 20 30 ECEDLO 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/nfs/dbraw/zinc/05/27/35/441052735.db2.gz XTZOUPJPDWEIHY-AWEZNQCLSA-N 1 2 327.392 0.493 20 30 ECEDLO N#Cc1cncc(S(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000289619609 320670763 /nfs/dbraw/zinc/67/07/63/320670763.db2.gz YXJUTBAAFSYGEG-CYBMUJFWSA-N 1 2 329.385 0.905 20 30 ECEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3cncc(C#N)n3)CC2)C1 ZINC000574558010 322781201 /nfs/dbraw/zinc/78/12/01/322781201.db2.gz ZLFQZIAWCSUFME-GJZGRUSLSA-N 1 2 342.447 0.975 20 30 ECEDLO C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000576293943 322804990 /nfs/dbraw/zinc/80/49/90/322804990.db2.gz VGIDZQJYFKKZLA-HOCLYGCPSA-N 1 2 343.431 0.759 20 30 ECEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2nc(C)cc(C)n2)CC1 ZINC000159023467 528361116 /nfs/dbraw/zinc/36/11/16/528361116.db2.gz BLJAWMWFHHZPLN-UHFFFAOYSA-N 1 2 330.436 0.978 20 30 ECEDLO O=C(CNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)N1CCCC1 ZINC000328780150 546005253 /nfs/dbraw/zinc/00/52/53/546005253.db2.gz FDRBJPVZBBTUFF-UHFFFAOYSA-N 1 2 347.419 0.544 20 30 ECEDLO Cn1cc(C[NH+]2CCN(C(=O)N[C@H]3CCC(=O)N(C)C3)CC2)cn1 ZINC000329832601 546035146 /nfs/dbraw/zinc/03/51/46/546035146.db2.gz KLUKHBVMNSZQSV-AWEZNQCLSA-N 1 2 334.424 0.073 20 30 ECEDLO CC(=O)N1CCC[C@H](CNC(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000329944485 546037372 /nfs/dbraw/zinc/03/73/72/546037372.db2.gz FGGAMEZCVBGNKS-DZGCQCFKSA-N 1 2 326.441 0.469 20 30 ECEDLO C[C@H](C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)n1cnc(C#N)n1 ZINC000619593641 546344996 /nfs/dbraw/zinc/34/49/96/546344996.db2.gz RBBPCIITZXLPEF-ZIAGYGMSSA-N 1 2 332.408 0.424 20 30 ECEDLO C[C@H](C(=O)NC(N)=O)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000619647516 546355093 /nfs/dbraw/zinc/35/50/93/546355093.db2.gz XHFJWXGNWWEMBE-BXUZGUMPSA-N 1 2 333.367 0.591 20 30 ECEDLO C=CCN(C)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000625383970 547085457 /nfs/dbraw/zinc/08/54/57/547085457.db2.gz SHGNFIIIDJFACQ-OAHLLOKOSA-N 1 2 332.404 0.043 20 30 ECEDLO C=CCN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000625383970 547085462 /nfs/dbraw/zinc/08/54/62/547085462.db2.gz SHGNFIIIDJFACQ-OAHLLOKOSA-N 1 2 332.404 0.043 20 30 ECEDLO Cn1nccc1[C@H](CO)[NH2+]CC#CCN1C(=O)c2ccccc2C1=O ZINC000625467354 547109430 /nfs/dbraw/zinc/10/94/30/547109430.db2.gz XOZJCHINQYIENL-HNNXBMFYSA-N 1 2 338.367 0.343 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)CCN1CCCS1(=O)=O ZINC000674495435 548636333 /nfs/dbraw/zinc/63/63/33/548636333.db2.gz GTSPVGRZCGFVJJ-AWEZNQCLSA-N 1 2 329.466 0.543 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CCN1CCCS1(=O)=O ZINC000674495435 548636336 /nfs/dbraw/zinc/63/63/36/548636336.db2.gz GTSPVGRZCGFVJJ-AWEZNQCLSA-N 1 2 329.466 0.543 20 30 ECEDLO O=C1Nc2cc3c(cc2C1=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)OCCO3 ZINC000753938578 579409396 /nfs/dbraw/zinc/40/93/96/579409396.db2.gz KCHLBEIFPJQFFQ-PHIMTYICSA-N 1 2 341.371 0.974 20 30 ECEDLO C[C@H](Nc1cccc(S(N)(=O)=O)c1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000754993814 579427481 /nfs/dbraw/zinc/42/74/81/579427481.db2.gz QJNZKRRFTBBUGB-RYUDHWBXSA-N 1 2 338.433 0.727 20 30 ECEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1nc(C)cc(=O)[nH]1 ZINC000755463908 579433783 /nfs/dbraw/zinc/43/37/83/579433783.db2.gz NPAMRAXEKISBOQ-UHFFFAOYSA-N 1 2 331.380 0.815 20 30 ECEDLO CC(=O)Nc1ccccc1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000755498732 579434298 /nfs/dbraw/zinc/43/42/98/579434298.db2.gz KCPAENKABBSTGK-UHFFFAOYSA-N 1 2 349.460 0.775 20 30 ECEDLO CCOC(=O)CNC(=O)C1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758238825 579469376 /nfs/dbraw/zinc/46/93/76/579469376.db2.gz KLLLZPYVTGTEHW-UHFFFAOYSA-N 1 2 346.387 0.069 20 30 ECEDLO CC(C)n1ncc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1N ZINC000758255005 579469796 /nfs/dbraw/zinc/46/97/96/579469796.db2.gz VRCNIRAGIBWLQB-UHFFFAOYSA-N 1 2 334.424 0.734 20 30 ECEDLO COCC1(O)CC[NH+](Cc2nc3ccccc3c(=O)n2CC#N)CC1 ZINC000759317547 579489355 /nfs/dbraw/zinc/48/93/55/579489355.db2.gz MTPNBIAPXUSJFY-UHFFFAOYSA-N 1 2 342.399 0.893 20 30 ECEDLO N#Cc1ccc(NCCNC(=O)c2ccc(-n3cc[nH+]c3)nn2)nc1 ZINC000725884441 578134603 /nfs/dbraw/zinc/13/46/03/578134603.db2.gz ZQJSWVZHSJWYFK-UHFFFAOYSA-N 1 2 334.343 0.771 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(c2ncnc3ccc(F)cc32)CC1 ZINC000728566091 578289734 /nfs/dbraw/zinc/28/97/34/578289734.db2.gz BMZDPLNSMFELGU-UHFFFAOYSA-N 1 2 327.363 0.640 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2cnn(-c3ccccc3)n2)CC1 ZINC000728570413 578289822 /nfs/dbraw/zinc/28/98/22/578289822.db2.gz CLRUTGYUIXOQOX-UHFFFAOYSA-N 1 2 338.415 0.134 20 30 ECEDLO N#C[C@H](C(=O)C[N@H+]1CCC[C@@H]1CO)c1nc2ccccc2c(=O)[nH]1 ZINC000728917411 578291879 /nfs/dbraw/zinc/29/18/79/578291879.db2.gz CQPSPEYEIQQMTO-DGCLKSJQSA-N 1 2 326.356 0.968 20 30 ECEDLO N#C[C@H](C(=O)C[N@@H+]1CCC[C@@H]1CO)c1nc2ccccc2c(=O)[nH]1 ZINC000728917411 578291880 /nfs/dbraw/zinc/29/18/80/578291880.db2.gz CQPSPEYEIQQMTO-DGCLKSJQSA-N 1 2 326.356 0.968 20 30 ECEDLO N#Cc1ccccc1/C=C\C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000732155413 578320432 /nfs/dbraw/zinc/32/04/32/578320432.db2.gz CITRPBPGJWXSBP-WAYWQWQTSA-N 1 2 342.399 0.136 20 30 ECEDLO C=CCNC(=O)NC(=O)COC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000735956914 578401021 /nfs/dbraw/zinc/40/10/21/578401021.db2.gz JVRZMOMYXVXOPQ-CYBMUJFWSA-N 1 2 345.399 0.988 20 30 ECEDLO C=CCNC(=O)NC(=O)COC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000735956914 578401022 /nfs/dbraw/zinc/40/10/22/578401022.db2.gz JVRZMOMYXVXOPQ-CYBMUJFWSA-N 1 2 345.399 0.988 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@H](CO)Cc3ccccc32)CC1 ZINC000794579937 578594195 /nfs/dbraw/zinc/59/41/95/578594195.db2.gz QDZJMKHEOBATIM-MRXNPFEDSA-N 1 2 327.428 0.435 20 30 ECEDLO C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000799283391 578661823 /nfs/dbraw/zinc/66/18/23/578661823.db2.gz FGOUVNCABMOZGB-ZDUSSCGKSA-N 1 2 328.372 0.711 20 30 ECEDLO CC[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1[nH]cc[nH+]1 ZINC000781985832 578718068 /nfs/dbraw/zinc/71/80/68/578718068.db2.gz TYWRAWZKAHTFTH-NSHDSACASA-N 1 2 347.400 0.716 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000782054683 578719581 /nfs/dbraw/zinc/71/95/81/578719581.db2.gz KSAHXIRUANYQLW-OAHLLOKOSA-N 1 2 335.429 0.642 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000782054683 578719582 /nfs/dbraw/zinc/71/95/82/578719582.db2.gz KSAHXIRUANYQLW-OAHLLOKOSA-N 1 2 335.429 0.642 20 30 ECEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@@H](C(=O)OC)CC1=O ZINC000782262961 578721942 /nfs/dbraw/zinc/72/19/42/578721942.db2.gz DBBNMELGVZRFED-INIZCTEOSA-N 1 2 345.399 0.986 20 30 ECEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CN1C[C@@H](C(=O)OC)CC1=O ZINC000782262961 578721944 /nfs/dbraw/zinc/72/19/44/578721944.db2.gz DBBNMELGVZRFED-INIZCTEOSA-N 1 2 345.399 0.986 20 30 ECEDLO C=C(Cl)CNC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000783002084 578737238 /nfs/dbraw/zinc/73/72/38/578737238.db2.gz BXUPXTTUCBLDJG-NSHDSACASA-N 1 2 325.800 0.963 20 30 ECEDLO N#Cc1c(N2CCN(c3cccc[nH+]3)CC2)cccc1S(N)(=O)=O ZINC000784548634 578754031 /nfs/dbraw/zinc/75/40/31/578754031.db2.gz WQDNRNRRSAWWDU-UHFFFAOYSA-N 1 2 343.412 0.927 20 30 ECEDLO C=CC[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1)c1ccncc1 ZINC000787757055 578815646 /nfs/dbraw/zinc/81/56/46/578815646.db2.gz LSTOHQQPGKMKHM-GOEBONIOSA-N 1 2 346.431 0.652 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)CCCCCC(=O)OC)CC1 ZINC000788039305 578826035 /nfs/dbraw/zinc/82/60/35/578826035.db2.gz FYGSCAYFDQBGAM-UHFFFAOYSA-N 1 2 330.450 0.691 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1)[C@H]1CCCO1 ZINC000793744164 578938419 /nfs/dbraw/zinc/93/84/19/578938419.db2.gz OKDAQHZFQHZSAH-LSDHHAIUSA-N 1 2 340.383 0.556 20 30 ECEDLO C#C[C@H](NC(=O)NCc1ccc[nH+]c1N1CCOCC1)[C@H]1CCCO1 ZINC000773168036 579221712 /nfs/dbraw/zinc/22/17/12/579221712.db2.gz YKGXKCDSAOPFPV-JKSUJKDBSA-N 1 2 344.415 0.898 20 30 ECEDLO N#Cc1cccn(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1=O ZINC000777564813 579299950 /nfs/dbraw/zinc/29/99/50/579299950.db2.gz PGTHWZZXVYCCKS-NSHDSACASA-N 1 2 328.294 0.678 20 30 ECEDLO N#Cc1cccn(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1=O ZINC000777564813 579299951 /nfs/dbraw/zinc/29/99/51/579299951.db2.gz PGTHWZZXVYCCKS-NSHDSACASA-N 1 2 328.294 0.678 20 30 ECEDLO O=C(C#Cc1ccccc1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000778335845 579308365 /nfs/dbraw/zinc/30/83/65/579308365.db2.gz NOPOKYRAZZPXAT-GOSISDBHSA-N 1 2 328.412 0.988 20 30 ECEDLO C#CCOc1cccc(NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000778811275 579311323 /nfs/dbraw/zinc/31/13/23/579311323.db2.gz PKQAEYOQHHLGPY-AWEZNQCLSA-N 1 2 338.367 0.965 20 30 ECEDLO C#CCOc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1 ZINC000778947469 579312742 /nfs/dbraw/zinc/31/27/42/579312742.db2.gz LMPGCDGWQOKPMP-AWEZNQCLSA-N 1 2 345.399 0.162 20 30 ECEDLO C#CCOc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC000778947469 579312743 /nfs/dbraw/zinc/31/27/43/579312743.db2.gz LMPGCDGWQOKPMP-AWEZNQCLSA-N 1 2 345.399 0.162 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000761032691 579519917 /nfs/dbraw/zinc/51/99/17/579519917.db2.gz LLZUSAWSEQRJPT-UHFFFAOYSA-N 1 2 341.408 0.420 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](CCOc2cccc(C)c2)CC1 ZINC000761033871 579519945 /nfs/dbraw/zinc/51/99/45/579519945.db2.gz ZYGAUNBZUVJDSB-UHFFFAOYSA-N 1 2 337.445 0.459 20 30 ECEDLO COc1cccc([C@@H](O)C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000764947348 579581301 /nfs/dbraw/zinc/58/13/01/579581301.db2.gz MIUNIDJOZBNASR-QGZVFWFLSA-N 1 2 347.415 0.803 20 30 ECEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000739904348 579721423 /nfs/dbraw/zinc/72/14/23/579721423.db2.gz SVCSKLQGHIWBGZ-QGZVFWFLSA-N 1 2 344.415 0.478 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000742799014 579792150 /nfs/dbraw/zinc/79/21/50/579792150.db2.gz SBMBUQYMOMYLKM-KBPBESRZSA-N 1 2 329.404 0.048 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000742799014 579792151 /nfs/dbraw/zinc/79/21/51/579792151.db2.gz SBMBUQYMOMYLKM-KBPBESRZSA-N 1 2 329.404 0.048 20 30 ECEDLO C[NH+](C)CCCNC(=O)C[C@H]1S/C(=N/C2CCCC2)NC1=O ZINC000743277166 579796176 /nfs/dbraw/zinc/79/61/76/579796176.db2.gz KIADHVDVOSZUGF-GFCCVEGCSA-N 1 2 326.466 0.975 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)CC1 ZINC000744422497 579809412 /nfs/dbraw/zinc/80/94/12/579809412.db2.gz YYFFKPLSGZPMMD-KDOFPFPSSA-N 1 2 346.431 0.265 20 30 ECEDLO C=CCNC(=O)NC(=O)CN1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000746464781 579839727 /nfs/dbraw/zinc/83/97/27/579839727.db2.gz ZNNSJENDUYHIAG-UHFFFAOYSA-N 1 2 339.465 0.497 20 30 ECEDLO C#CC[C@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)C(=O)OC ZINC000837939268 588966092 /nfs/dbraw/zinc/96/60/92/588966092.db2.gz BEUBBRLNJOJGCK-INIZCTEOSA-N 1 2 330.384 0.814 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000891606485 586181572 /nfs/dbraw/zinc/18/15/72/586181572.db2.gz NVCGNKDONBIHJG-CYBMUJFWSA-N 1 2 329.356 0.568 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000891606485 586181573 /nfs/dbraw/zinc/18/15/73/586181573.db2.gz NVCGNKDONBIHJG-CYBMUJFWSA-N 1 2 329.356 0.568 20 30 ECEDLO C#CCOc1cccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](CC#C)C2)c1 ZINC000891607046 586181605 /nfs/dbraw/zinc/18/16/05/586181605.db2.gz QLCNQRZIQUZOOC-INIZCTEOSA-N 1 2 339.395 0.851 20 30 ECEDLO C#CCOc1cccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](CC#C)C2)c1 ZINC000891607046 586181607 /nfs/dbraw/zinc/18/16/07/586181607.db2.gz QLCNQRZIQUZOOC-INIZCTEOSA-N 1 2 339.395 0.851 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cnc(C(C)(C)C)nc2)C1 ZINC000891607025 586181693 /nfs/dbraw/zinc/18/16/93/586181693.db2.gz QEAIFEQTEFHCFS-ZDUSSCGKSA-N 1 2 343.431 0.926 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cnc(C(C)(C)C)nc2)C1 ZINC000891607025 586181695 /nfs/dbraw/zinc/18/16/95/586181695.db2.gz QEAIFEQTEFHCFS-ZDUSSCGKSA-N 1 2 343.431 0.926 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(NC(C)=O)cc2)C1 ZINC000891606876 586181855 /nfs/dbraw/zinc/18/18/55/586181855.db2.gz PSWXVIGMUMILRA-INIZCTEOSA-N 1 2 342.399 0.797 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(NC(C)=O)cc2)C1 ZINC000891606876 586181858 /nfs/dbraw/zinc/18/18/58/586181858.db2.gz PSWXVIGMUMILRA-INIZCTEOSA-N 1 2 342.399 0.797 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)N2CCC3(CC2)CC(=O)C=CO3)CCO1 ZINC000892596298 586275729 /nfs/dbraw/zinc/27/57/29/586275729.db2.gz OSSNTABIXXZSFV-CQSZACIVSA-N 1 2 337.420 0.754 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCC3(CC2)CC(=O)C=CO3)CCO1 ZINC000892596298 586275731 /nfs/dbraw/zinc/27/57/31/586275731.db2.gz OSSNTABIXXZSFV-CQSZACIVSA-N 1 2 337.420 0.754 20 30 ECEDLO COC(=O)[C@@]1(C)C[C@H](OC(=O)c2cnn(CCC#N)c2C)C[N@@H+]1C ZINC000893577127 586341575 /nfs/dbraw/zinc/34/15/75/586341575.db2.gz ASPBZBADSNLVRQ-BLLLJJGKSA-N 1 2 334.376 0.898 20 30 ECEDLO COC(=O)[C@@]1(C)C[C@H](OC(=O)c2cnn(CCC#N)c2C)C[N@H+]1C ZINC000893577127 586341578 /nfs/dbraw/zinc/34/15/78/586341578.db2.gz ASPBZBADSNLVRQ-BLLLJJGKSA-N 1 2 334.376 0.898 20 30 ECEDLO C[N@H+](CCC#N)C[C@H](O)CN1C(=O)[C@@H]2C[C@]2(c2ccccc2)C1=O ZINC000899917430 586512970 /nfs/dbraw/zinc/51/29/70/586512970.db2.gz ZVMQPZQYLPXOAP-RLFYNMQTSA-N 1 2 327.384 0.519 20 30 ECEDLO C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)[C@@H]2C[C@]2(c2ccccc2)C1=O ZINC000899917430 586512971 /nfs/dbraw/zinc/51/29/71/586512971.db2.gz ZVMQPZQYLPXOAP-RLFYNMQTSA-N 1 2 327.384 0.519 20 30 ECEDLO C=CCNC(=O)CN1CCN(C(=O)c2ccc(C)[nH+]c2NC)CC1 ZINC000900039561 586520121 /nfs/dbraw/zinc/52/01/21/586520121.db2.gz ZTDHIGZSHRYLOG-UHFFFAOYSA-N 1 2 331.420 0.492 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc([S@@](C)(=O)=NC)c2)CC1 ZINC000902144028 586721893 /nfs/dbraw/zinc/72/18/93/586721893.db2.gz LZLMFADZXXAHJR-XMMPIXPASA-N 1 2 348.472 0.962 20 30 ECEDLO C#CCOCCNC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000838548569 586813860 /nfs/dbraw/zinc/81/38/60/586813860.db2.gz NQZFEDXVEYFGNN-UHFFFAOYSA-N 1 2 335.404 0.773 20 30 ECEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC000757995827 586895737 /nfs/dbraw/zinc/89/57/37/586895737.db2.gz OQEMHUTWMJXBOP-QWHCGFSZSA-N 1 2 348.407 0.941 20 30 ECEDLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)C1 ZINC000805470003 586910304 /nfs/dbraw/zinc/91/03/04/586910304.db2.gz UAWAUQYUTSVRDY-YPMHNXCESA-N 1 2 337.401 0.892 20 30 ECEDLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)C1 ZINC000805470003 586910306 /nfs/dbraw/zinc/91/03/06/586910306.db2.gz UAWAUQYUTSVRDY-YPMHNXCESA-N 1 2 337.401 0.892 20 30 ECEDLO Cc1nn(C)c(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c1C#N ZINC000906011411 586929741 /nfs/dbraw/zinc/92/97/41/586929741.db2.gz MANIMGZQVLNVHU-OCCSQVGLSA-N 1 2 333.392 0.419 20 30 ECEDLO COc1ncc(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)cc1C#N ZINC000906147536 586934410 /nfs/dbraw/zinc/93/44/10/586934410.db2.gz UJOZAQNWBATOCV-CABCVRRESA-N 1 2 346.387 0.780 20 30 ECEDLO CCS(=O)(=O)N1CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000805771329 586938164 /nfs/dbraw/zinc/93/81/64/586938164.db2.gz GCRYXZSOZVGLCP-CZUORRHYSA-N 1 2 337.445 0.947 20 30 ECEDLO CCS(=O)(=O)N1CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000805771329 586938165 /nfs/dbraw/zinc/93/81/65/586938165.db2.gz GCRYXZSOZVGLCP-CZUORRHYSA-N 1 2 337.445 0.947 20 30 ECEDLO COCC[C@H]1CCCC1=NNC(=S)NCC[NH+]1CCOCC1 ZINC000799868347 586960630 /nfs/dbraw/zinc/96/06/30/586960630.db2.gz NHFNTORZQJMLSU-CYBMUJFWSA-N 1 2 328.482 0.975 20 30 ECEDLO C#Cc1ccc(S(=O)(=O)N2CC[NH+](CCC(=O)OC)CC2)cc1 ZINC000906862712 586990490 /nfs/dbraw/zinc/99/04/90/586990490.db2.gz ZGBXLIOKBAPIBY-UHFFFAOYSA-N 1 2 336.413 0.537 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](CCN3CCCS3(=O)=O)CC2)cn1 ZINC000801552411 586998983 /nfs/dbraw/zinc/99/89/83/586998983.db2.gz KSNLEWRQFYMMNK-UHFFFAOYSA-N 1 2 335.433 0.111 20 30 ECEDLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000907252364 587029974 /nfs/dbraw/zinc/02/99/74/587029974.db2.gz BAOCCQUUSZCYEF-UHFFFAOYSA-N 1 2 338.433 0.685 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)NCc1ccn2cc[nH+]c2c1)[C@H]1CCCO1 ZINC000806987480 587114027 /nfs/dbraw/zinc/11/40/27/587114027.db2.gz HKENVPORTLRMTL-UONOGXRCSA-N 1 2 326.356 0.248 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2cnnn2-c2ccccc2)CC1 ZINC000808717324 587159722 /nfs/dbraw/zinc/15/97/22/587159722.db2.gz HNEOPHVUBXPISR-UHFFFAOYSA-N 1 2 338.415 0.134 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)[C@@H]1CCCO1 ZINC000809312270 587174763 /nfs/dbraw/zinc/17/47/63/587174763.db2.gz LZGODDWCLBBBMP-JONQDZQNSA-N 1 2 344.415 0.590 20 30 ECEDLO CON=CC(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000809672055 587181615 /nfs/dbraw/zinc/18/16/15/587181615.db2.gz KDRPLHZSUZYRPB-UHFFFAOYSA-N 1 2 336.367 0.332 20 30 ECEDLO C#Cc1ccccc1CC(=O)O[C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000810836481 587205862 /nfs/dbraw/zinc/20/58/62/587205862.db2.gz YTPRIATVGGYWOM-HNNXBMFYSA-N 1 2 344.411 0.591 20 30 ECEDLO C#C[C@@H](C)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000812019944 587230412 /nfs/dbraw/zinc/23/04/12/587230412.db2.gz UOQBKWSRZCOPHE-CQSZACIVSA-N 1 2 329.404 0.441 20 30 ECEDLO C#CC[C@H](CO)NC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000816675100 587319023 /nfs/dbraw/zinc/31/90/23/587319023.db2.gz SJELWNGCNNYOQA-OAHLLOKOSA-N 1 2 332.400 0.562 20 30 ECEDLO C#CC[C@H](CO)NC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000816675100 587319025 /nfs/dbraw/zinc/31/90/25/587319025.db2.gz SJELWNGCNNYOQA-OAHLLOKOSA-N 1 2 332.400 0.562 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3CCC(=O)N3)CC2)cc1 ZINC000816805646 587325097 /nfs/dbraw/zinc/32/50/97/587325097.db2.gz CUAHFIPYBSTKDK-INIZCTEOSA-N 1 2 326.400 0.871 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NCCC(N)=O)cc1 ZINC000817119342 587333965 /nfs/dbraw/zinc/33/39/65/587333965.db2.gz ZRBKJQNKBZNFEO-HNNXBMFYSA-N 1 2 342.399 0.328 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NCCC(N)=O)cc1 ZINC000817119342 587333967 /nfs/dbraw/zinc/33/39/67/587333967.db2.gz ZRBKJQNKBZNFEO-HNNXBMFYSA-N 1 2 342.399 0.328 20 30 ECEDLO COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000819230585 587473216 /nfs/dbraw/zinc/47/32/16/587473216.db2.gz XAXHMRKACIOUIU-MGPQQGTHSA-N 1 2 343.424 0.359 20 30 ECEDLO Cc1ccc(-c2nn[nH]n2)c(N(C)CCCc2[nH]nc(N)c2C#N)[nH+]1 ZINC000822214982 587648338 /nfs/dbraw/zinc/64/83/38/587648338.db2.gz HCTXGUXDVOJQTO-UHFFFAOYSA-N 1 2 338.379 0.816 20 30 ECEDLO C#CCNC(=O)C1CCN(c2[nH+]c(C)ccc2-c2nn[nH]n2)CC1 ZINC000823850273 587745882 /nfs/dbraw/zinc/74/58/82/587745882.db2.gz MAVXCQSOYJSSAU-UHFFFAOYSA-N 1 2 325.376 0.536 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](C)n2ccc(C)n2)CC1 ZINC000826555770 588069846 /nfs/dbraw/zinc/06/98/46/588069846.db2.gz VIYOLPLUFVOMPE-MRXNPFEDSA-N 1 2 345.447 0.426 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](C)n2ccc(C)n2)CC1 ZINC000826555770 588069848 /nfs/dbraw/zinc/06/98/48/588069848.db2.gz VIYOLPLUFVOMPE-MRXNPFEDSA-N 1 2 345.447 0.426 20 30 ECEDLO COc1cc(C(=O)N2CC[NH+](CC[S@](C)=O)CC2)ccc1C#N ZINC000828521706 588186778 /nfs/dbraw/zinc/18/67/78/588186778.db2.gz BRLJCWHSZZFXAK-QHCPKHFHSA-N 1 2 335.429 0.703 20 30 ECEDLO C[C@@](O)(C[N@@H+]1CC[C@@](O)(CC#N)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000829991627 588352349 /nfs/dbraw/zinc/35/23/49/588352349.db2.gz LATISEDSPSGCGD-CVEARBPZSA-N 1 2 338.429 0.648 20 30 ECEDLO C[C@@](O)(C[N@H+]1CC[C@@](O)(CC#N)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000829991627 588352351 /nfs/dbraw/zinc/35/23/51/588352351.db2.gz LATISEDSPSGCGD-CVEARBPZSA-N 1 2 338.429 0.648 20 30 ECEDLO CC(C)(C)OC(=O)CS(=O)(=O)CC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000829999197 588353002 /nfs/dbraw/zinc/35/30/02/588353002.db2.gz YTWUVHBLVBPOTJ-CQSZACIVSA-N 1 2 332.422 0.093 20 30 ECEDLO CC(C)(C)OC(=O)CS(=O)(=O)CC[N@H+]1CC[C@](O)(CC#N)C1 ZINC000829999197 588353004 /nfs/dbraw/zinc/35/30/04/588353004.db2.gz YTWUVHBLVBPOTJ-CQSZACIVSA-N 1 2 332.422 0.093 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)CC1 ZINC000830195004 588365005 /nfs/dbraw/zinc/36/50/05/588365005.db2.gz HHIZXZUWZSGTLF-UHFFFAOYSA-N 1 2 347.440 0.535 20 30 ECEDLO C[NH+](C)CC(=O)N1CC[NH+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000830596122 588377510 /nfs/dbraw/zinc/37/75/10/588377510.db2.gz FRKQNNWYBCCNSM-MRXNPFEDSA-N 1 2 330.388 0.390 20 30 ECEDLO C=CCN(C(=O)C(=O)N1CC[NH+](CCc2cnccn2)CC1)C(C)C ZINC000867364216 589115507 /nfs/dbraw/zinc/11/55/07/589115507.db2.gz NYQSOPWYUDKNBR-UHFFFAOYSA-N 1 2 345.447 0.586 20 30 ECEDLO C#CCCCS(=O)(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000844835095 589123052 /nfs/dbraw/zinc/12/30/52/589123052.db2.gz UUQZGPNHTORXOO-UHFFFAOYSA-N 1 2 335.433 0.862 20 30 ECEDLO C=CCN(C(=O)C(=O)N1CC[NH+](CCOCCOC)CC1)C(C)C ZINC000846243400 589193030 /nfs/dbraw/zinc/19/30/30/589193030.db2.gz ARQBNCYLFPGMCI-UHFFFAOYSA-N 1 2 341.452 0.217 20 30 ECEDLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000867414769 589198616 /nfs/dbraw/zinc/19/86/16/589198616.db2.gz AVOBDMCUZMOFIZ-RYUDHWBXSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000867414769 589198618 /nfs/dbraw/zinc/19/86/18/589198618.db2.gz AVOBDMCUZMOFIZ-RYUDHWBXSA-N 1 2 341.408 0.773 20 30 ECEDLO CC1(C)OC[C@H](Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)O1 ZINC000849899797 589353171 /nfs/dbraw/zinc/35/31/71/589353171.db2.gz MBIBCZSXDSLBCJ-HNNXBMFYSA-N 1 2 333.388 0.704 20 30 ECEDLO C#CCOCC[N@@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000851857772 589429355 /nfs/dbraw/zinc/42/93/55/589429355.db2.gz ZCNHMUCSYSQVKJ-AWEZNQCLSA-N 1 2 328.368 0.633 20 30 ECEDLO C#CCOCC[N@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000851857772 589429357 /nfs/dbraw/zinc/42/93/57/589429357.db2.gz ZCNHMUCSYSQVKJ-AWEZNQCLSA-N 1 2 328.368 0.633 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cc(F)ncn2)CC1 ZINC000852128882 589445172 /nfs/dbraw/zinc/44/51/72/589445172.db2.gz CIWWJEOOTAPLPI-NSHDSACASA-N 1 2 336.371 0.138 20 30 ECEDLO C#CCNC(=O)CC[N@@H+]1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1 ZINC000852340531 589491632 /nfs/dbraw/zinc/49/16/32/589491632.db2.gz KVEKCLSLXLFAKB-NXEZZACHSA-N 1 2 326.340 0.033 20 30 ECEDLO C#CCNC(=O)CC[N@H+]1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1 ZINC000852340531 589491633 /nfs/dbraw/zinc/49/16/33/589491633.db2.gz KVEKCLSLXLFAKB-NXEZZACHSA-N 1 2 326.340 0.033 20 30 ECEDLO N#CCCNC(=O)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000852339429 589491795 /nfs/dbraw/zinc/49/17/95/589491795.db2.gz LZESFGBHLXXCIS-SJORKVTESA-N 1 2 328.416 0.601 20 30 ECEDLO N#CCCNC(=O)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000852339429 589491797 /nfs/dbraw/zinc/49/17/97/589491797.db2.gz LZESFGBHLXXCIS-SJORKVTESA-N 1 2 328.416 0.601 20 30 ECEDLO C=C[C@H](CO)[NH2+]CC1=NC(=O)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000852713952 589507261 /nfs/dbraw/zinc/50/72/61/589507261.db2.gz SDDULJKYMPMRMY-CJNGLKHVSA-N 1 2 345.399 0.994 20 30 ECEDLO Cn1cc(C[C@H]2CC(=O)N(C[N@@H+]3CCC[C@@H](CC#N)C3)C2=O)cn1 ZINC000853523792 589545834 /nfs/dbraw/zinc/54/58/34/589545834.db2.gz GYSCUFBCYKNXRU-ZFWWWQNUSA-N 1 2 329.404 0.921 20 30 ECEDLO Cn1cc(C[C@H]2CC(=O)N(C[N@H+]3CCC[C@@H](CC#N)C3)C2=O)cn1 ZINC000853523792 589545835 /nfs/dbraw/zinc/54/58/35/589545835.db2.gz GYSCUFBCYKNXRU-ZFWWWQNUSA-N 1 2 329.404 0.921 20 30 ECEDLO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)cc1 ZINC000857988157 589720927 /nfs/dbraw/zinc/72/09/27/589720927.db2.gz GNSITHNUFZTXLP-CQSZACIVSA-N 1 2 344.396 0.669 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000860656444 589790948 /nfs/dbraw/zinc/79/09/48/589790948.db2.gz LQEVBBPLHYTFAT-HNNXBMFYSA-N 1 2 349.435 0.765 20 30 ECEDLO N#CC1(C[C@H](O)C[N@H+]2Cc3ccccc3C[C@H]2C(N)=O)CCOCC1 ZINC000859069543 589797304 /nfs/dbraw/zinc/79/73/04/589797304.db2.gz QSFHQZFXRUHRIG-IRXDYDNUSA-N 1 2 343.427 0.970 20 30 ECEDLO N#CC1(C[C@H](O)C[N@@H+]2Cc3ccccc3C[C@H]2C(N)=O)CCOCC1 ZINC000859069543 589797306 /nfs/dbraw/zinc/79/73/06/589797306.db2.gz QSFHQZFXRUHRIG-IRXDYDNUSA-N 1 2 343.427 0.970 20 30 ECEDLO C#CCCN(CCOC)C(=O)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000867641031 589820093 /nfs/dbraw/zinc/82/00/93/589820093.db2.gz ROZXWRYRXMOUFI-QGZVFWFLSA-N 1 2 343.427 0.788 20 30 ECEDLO C#CCCN(CCOC)C(=O)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000867641031 589820094 /nfs/dbraw/zinc/82/00/94/589820094.db2.gz ROZXWRYRXMOUFI-QGZVFWFLSA-N 1 2 343.427 0.788 20 30 ECEDLO CN(CCC#N)S(=O)(=O)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1 ZINC000867758149 589838236 /nfs/dbraw/zinc/83/82/36/589838236.db2.gz OAWBUHVMDYEIQV-AWEZNQCLSA-N 1 2 335.433 0.956 20 30 ECEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1 ZINC000867863254 589855381 /nfs/dbraw/zinc/85/53/81/589855381.db2.gz XMJPNCABHBNCGM-JKSUJKDBSA-N 1 2 335.429 0.275 20 30 ECEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1 ZINC000867863254 589855383 /nfs/dbraw/zinc/85/53/83/589855383.db2.gz XMJPNCABHBNCGM-JKSUJKDBSA-N 1 2 335.429 0.275 20 30 ECEDLO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000869129439 589949168 /nfs/dbraw/zinc/94/91/68/589949168.db2.gz NYFNJPPNOUZRLE-SVEBXFOSSA-N 1 2 329.400 0.938 20 30 ECEDLO N#C[C@]1(C(=O)N2CC[NH+](CCc3cnccn3)CC2)CCCOC1 ZINC000871219344 590056268 /nfs/dbraw/zinc/05/62/68/590056268.db2.gz BHVSNPHODGVYGV-QGZVFWFLSA-N 1 2 329.404 0.484 20 30 ECEDLO C#CCN1C(=O)C[C@H]([N@H+]2Cc3ccccc3[C@H](C(=O)OC)C2)C1=O ZINC000864351402 590076837 /nfs/dbraw/zinc/07/68/37/590076837.db2.gz RRDIEWBDAFOIFS-CABCVRRESA-N 1 2 326.352 0.520 20 30 ECEDLO C#CCN1C(=O)C[C@H]([N@@H+]2Cc3ccccc3[C@H](C(=O)OC)C2)C1=O ZINC000864351402 590076840 /nfs/dbraw/zinc/07/68/40/590076840.db2.gz RRDIEWBDAFOIFS-CABCVRRESA-N 1 2 326.352 0.520 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(C)cc(S(C)(=O)=O)c2)CC1 ZINC000871863827 590090265 /nfs/dbraw/zinc/09/02/65/590090265.db2.gz DQJKJDZAXPLQQT-UHFFFAOYSA-N 1 2 349.456 0.588 20 30 ECEDLO CC[C@@H]1COCC[N@@H+]1CCNS(=O)(=O)N(CC)C[C@@H](C)C#N ZINC000872645939 590137456 /nfs/dbraw/zinc/13/74/56/590137456.db2.gz VAFRXXKZZIOQSW-UONOGXRCSA-N 1 2 332.470 0.413 20 30 ECEDLO CC[C@@H]1COCC[N@H+]1CCNS(=O)(=O)N(CC)C[C@@H](C)C#N ZINC000872645939 590137458 /nfs/dbraw/zinc/13/74/58/590137458.db2.gz VAFRXXKZZIOQSW-UONOGXRCSA-N 1 2 332.470 0.413 20 30 ECEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000874347977 590233107 /nfs/dbraw/zinc/23/31/07/590233107.db2.gz QQGJXWXBDMAPID-ZDUSSCGKSA-N 1 2 348.378 0.863 20 30 ECEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000874347977 590233109 /nfs/dbraw/zinc/23/31/09/590233109.db2.gz QQGJXWXBDMAPID-ZDUSSCGKSA-N 1 2 348.378 0.863 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000875118182 590272909 /nfs/dbraw/zinc/27/29/09/590272909.db2.gz QKCGLMZLIWUOFB-AWEZNQCLSA-N 1 2 349.456 0.377 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000875118182 590272910 /nfs/dbraw/zinc/27/29/10/590272910.db2.gz QKCGLMZLIWUOFB-AWEZNQCLSA-N 1 2 349.456 0.377 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000875595772 590312043 /nfs/dbraw/zinc/31/20/43/590312043.db2.gz CQRAEKVZYZITCD-DOTOQJQBSA-N 1 2 343.427 0.834 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000875595772 590312046 /nfs/dbraw/zinc/31/20/46/590312046.db2.gz CQRAEKVZYZITCD-DOTOQJQBSA-N 1 2 343.427 0.834 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000875600060 590312961 /nfs/dbraw/zinc/31/29/61/590312961.db2.gz OTWZASCJUBYOIY-AWEZNQCLSA-N 1 2 332.404 0.660 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000875602201 590314092 /nfs/dbraw/zinc/31/40/92/590314092.db2.gz BEZGOGWXSMAEAT-DZGCQCFKSA-N 1 2 331.372 0.216 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000875603139 590314099 /nfs/dbraw/zinc/31/40/99/590314099.db2.gz RPWLOQSDVQNAIW-OAHLLOKOSA-N 1 2 344.415 0.193 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN[C@@H](C(=O)OCC)c2ccccc2)CC1 ZINC000879974999 590357254 /nfs/dbraw/zinc/35/72/54/590357254.db2.gz BFEWAXOMPKTLSP-GOSISDBHSA-N 1 2 343.427 0.658 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)CC1 ZINC000128203455 590369991 /nfs/dbraw/zinc/36/99/91/590369991.db2.gz OUYWHPAWFHCUHZ-UHFFFAOYSA-N 1 2 332.448 0.692 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)NCc2ccc(N(C)C)cc2)nn1 ZINC000881094776 590436028 /nfs/dbraw/zinc/43/60/28/590436028.db2.gz RQLIVAFDONFTMO-UHFFFAOYSA-N 1 2 340.431 0.773 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2nccn2CC(F)F)CC1 ZINC000877892646 590484728 /nfs/dbraw/zinc/48/47/28/590484728.db2.gz CCIYPRQJGVCSBW-UHFFFAOYSA-N 1 2 327.379 0.568 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@H]3CCNC3=O)CC2)cc1 ZINC000877896097 590485194 /nfs/dbraw/zinc/48/51/94/590485194.db2.gz QRSADTXESFXXGK-MRXNPFEDSA-N 1 2 326.400 0.729 20 30 ECEDLO CNC(=O)[C@H]1C[N@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)CCO1 ZINC000878397272 590519898 /nfs/dbraw/zinc/51/98/98/590519898.db2.gz TXLZAJLAFOOKPP-AEFFLSMTSA-N 1 2 329.400 0.874 20 30 ECEDLO CNC(=O)[C@H]1C[N@@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)CCO1 ZINC000878397272 590519900 /nfs/dbraw/zinc/51/99/00/590519900.db2.gz TXLZAJLAFOOKPP-AEFFLSMTSA-N 1 2 329.400 0.874 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc3c2OCCO3)C1 ZINC000885511082 590728562 /nfs/dbraw/zinc/72/85/62/590728562.db2.gz BPIIQEMPHCPKPT-CYBMUJFWSA-N 1 2 336.413 0.834 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc3c2OCCO3)C1 ZINC000885511082 590728565 /nfs/dbraw/zinc/72/85/65/590728565.db2.gz BPIIQEMPHCPKPT-CYBMUJFWSA-N 1 2 336.413 0.834 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cc(Cl)cnc2N)C1 ZINC000885511598 590730093 /nfs/dbraw/zinc/73/00/93/590730093.db2.gz KMBVPGNYMMDTSV-NSHDSACASA-N 1 2 328.825 0.693 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(Cl)cnc2N)C1 ZINC000885511598 590730094 /nfs/dbraw/zinc/73/00/94/590730094.db2.gz KMBVPGNYMMDTSV-NSHDSACASA-N 1 2 328.825 0.693 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2c[nH]c(C(=O)OC)c2)C1 ZINC000885512758 590730461 /nfs/dbraw/zinc/73/04/61/590730461.db2.gz YQUYRTLYOUSIIC-NSHDSACASA-N 1 2 325.390 0.177 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2c[nH]c(C(=O)OC)c2)C1 ZINC000885512758 590730463 /nfs/dbraw/zinc/73/04/63/590730463.db2.gz YQUYRTLYOUSIIC-NSHDSACASA-N 1 2 325.390 0.177 20 30 ECEDLO C[C@H](ON=C(N)C[NH+]1CCSCC1)C(=O)NCC(F)(F)F ZINC000136085199 590745199 /nfs/dbraw/zinc/74/51/99/590745199.db2.gz ZZKYBGSMIMEWRW-QMMMGPOBSA-N 1 2 328.360 0.391 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](OCc2ccccn2)C1 ZINC000884328810 590807031 /nfs/dbraw/zinc/80/70/31/590807031.db2.gz XWJIQJJGGNEKIE-GJZGRUSLSA-N 1 2 333.388 0.646 20 30 ECEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935790151 611401424 /nfs/dbraw/zinc/40/14/24/611401424.db2.gz XTWCFNTWHMJJDM-VVLHAWIVSA-N 1 2 338.448 0.964 20 30 ECEDLO O=C(C#CC1CC1)N1CCC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000946696717 611418362 /nfs/dbraw/zinc/41/83/62/611418362.db2.gz YUMBQEQNFZSJAU-OAHLLOKOSA-N 1 2 340.427 0.966 20 30 ECEDLO CC[C@@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1cccc(C#N)c1O ZINC000926799148 611568112 /nfs/dbraw/zinc/56/81/12/611568112.db2.gz ALGWZETWQOBYDP-CRAIPNDOSA-N 1 2 345.399 0.932 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)Cc3cn(C)nc3C)CC2)C1 ZINC000949385876 608663728 /nfs/dbraw/zinc/66/37/28/608663728.db2.gz GBUTWOWTZNCCRG-UHFFFAOYSA-N 1 2 330.432 0.598 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)Cc3cn(C)nc3C)CC2)C1 ZINC000949385876 608663731 /nfs/dbraw/zinc/66/37/31/608663731.db2.gz GBUTWOWTZNCCRG-UHFFFAOYSA-N 1 2 330.432 0.598 20 30 ECEDLO Cc1cc(C(N)=[NH+]OCC(=O)NCC(=O)NC(C)(C)C)ccc1F ZINC000160723373 608705428 /nfs/dbraw/zinc/70/54/28/608705428.db2.gz WQRMGBUBUPHOKM-UHFFFAOYSA-N 1 2 338.383 0.802 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)C[C@H]1C ZINC000947308928 608944374 /nfs/dbraw/zinc/94/43/74/608944374.db2.gz BCFXDZHRRKTEIT-MNOVXSKESA-N 1 2 343.229 0.551 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)C[C@H]1C ZINC000947308928 608944376 /nfs/dbraw/zinc/94/43/76/608944376.db2.gz BCFXDZHRRKTEIT-MNOVXSKESA-N 1 2 343.229 0.551 20 30 ECEDLO CCOc1ccc(C[NH+]2CCN(C(=O)NCC#CCO)CC2)cc1 ZINC000923786105 608948296 /nfs/dbraw/zinc/94/82/96/608948296.db2.gz BPHCPKPRLASLRS-UHFFFAOYSA-N 1 2 331.416 0.908 20 30 ECEDLO Cc1nn(CCC#N)c(C)c1OS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000908389446 609652545 /nfs/dbraw/zinc/65/25/45/609652545.db2.gz JGXKGGMNORWDFV-ZDUSSCGKSA-N 1 2 342.421 0.453 20 30 ECEDLO Cc1nn(CCC#N)c(C)c1OS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000908389446 609652546 /nfs/dbraw/zinc/65/25/46/609652546.db2.gz JGXKGGMNORWDFV-ZDUSSCGKSA-N 1 2 342.421 0.453 20 30 ECEDLO Cn1cc([C@H]2CN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC[NH2+]2)cn1 ZINC000913464656 609676568 /nfs/dbraw/zinc/67/65/68/609676568.db2.gz WLLGGTSTHGLNSQ-CVEARBPZSA-N 1 2 325.372 0.498 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3ncon3)n2C[C@@H]2CCCO2)CC1 ZINC000909780957 609697280 /nfs/dbraw/zinc/69/72/80/609697280.db2.gz SYCFFYXNESSFRU-ZDUSSCGKSA-N 1 2 343.391 0.262 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000938288128 609727623 /nfs/dbraw/zinc/72/76/23/609727623.db2.gz DPFFIIFDMRQENK-OLZOCXBDSA-N 1 2 338.371 0.758 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)c1 ZINC000938385015 609766905 /nfs/dbraw/zinc/76/69/05/609766905.db2.gz CBRRBEXFGWBNHP-HNNXBMFYSA-N 1 2 337.383 0.668 20 30 ECEDLO CN1CC[C@H]([NH+]2CCC(NS(=O)(=O)CC(C)(C)C#N)CC2)C1=O ZINC000916582486 609943223 /nfs/dbraw/zinc/94/32/23/609943223.db2.gz MKIQHERQTBDFBS-ZDUSSCGKSA-N 1 2 342.465 0.151 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c(F)c1 ZINC000917050705 609959262 /nfs/dbraw/zinc/95/92/62/609959262.db2.gz JHUSHCJZEXXBDS-CYBMUJFWSA-N 1 2 338.408 0.366 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c(F)c1 ZINC000917050705 609959264 /nfs/dbraw/zinc/95/92/64/609959264.db2.gz JHUSHCJZEXXBDS-CYBMUJFWSA-N 1 2 338.408 0.366 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC000938916962 610043701 /nfs/dbraw/zinc/04/37/01/610043701.db2.gz CDCDDUAHRNDOHZ-GJZGRUSLSA-N 1 2 348.447 0.508 20 30 ECEDLO CC(C)NC(=O)CON=C(N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181842512 610177151 /nfs/dbraw/zinc/17/71/51/610177151.db2.gz NJMRRHNCZZQAAD-HNNXBMFYSA-N 1 2 334.420 0.701 20 30 ECEDLO CC(C)NC(=O)CON=C(N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181842512 610177153 /nfs/dbraw/zinc/17/71/53/610177153.db2.gz NJMRRHNCZZQAAD-HNNXBMFYSA-N 1 2 334.420 0.701 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@@H](N(C)C(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000939564867 610239422 /nfs/dbraw/zinc/23/94/22/610239422.db2.gz KKFFJTLSDYGHPH-OAHLLOKOSA-N 1 2 337.383 0.702 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccn(C(C)(C)C)n3)CC2)C1 ZINC000941426868 610301084 /nfs/dbraw/zinc/30/10/84/610301084.db2.gz KMYBMURGIIXZAY-UHFFFAOYSA-N 1 2 329.448 0.713 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C3(c4ccccn4)CC3)CC2)C1 ZINC000941410861 610302000 /nfs/dbraw/zinc/30/20/00/610302000.db2.gz PTVXVKOOXHIATK-UHFFFAOYSA-N 1 2 338.455 0.965 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(C(F)F)ncn3)CC2)C1 ZINC000941455876 610318172 /nfs/dbraw/zinc/31/81/72/610318172.db2.gz IYXJLZZWRWQIOH-UHFFFAOYSA-N 1 2 349.385 0.880 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000941449437 610323686 /nfs/dbraw/zinc/32/36/86/610323686.db2.gz HLRLJDXEKVANBS-ZIAGYGMSSA-N 1 2 329.404 0.666 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3ccc(OC)c(F)c3)CC2)C1 ZINC000941480423 610335374 /nfs/dbraw/zinc/33/53/74/610335374.db2.gz LWABBLFFZWIAAG-UHFFFAOYSA-N 1 2 345.418 0.838 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccc4oc(=O)[nH]c43)CC2)C1 ZINC000941484226 610337044 /nfs/dbraw/zinc/33/70/44/610337044.db2.gz SNKPPQXFBUKIHS-UHFFFAOYSA-N 1 2 340.383 0.609 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3nc(C)n4ccccc34)CC2)C1 ZINC000941484631 610337537 /nfs/dbraw/zinc/33/75/37/610337537.db2.gz DPKDMOAKADTUOL-UHFFFAOYSA-N 1 2 337.427 0.718 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)CC2)C1 ZINC000941500269 610344777 /nfs/dbraw/zinc/34/47/77/610344777.db2.gz OWEMDZUFPXOQSO-IAGOWNOFSA-N 1 2 341.459 0.375 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccn4cc(C)nc4c3)CC2)C1 ZINC000941566353 610386655 /nfs/dbraw/zinc/38/66/55/610386655.db2.gz CQYOBYHGEOFVRQ-UHFFFAOYSA-N 1 2 337.427 0.718 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc4c(c3)CCO4)CC2)C1 ZINC000941580152 610392906 /nfs/dbraw/zinc/39/29/06/610392906.db2.gz SBPFWWJZRGIUNA-UHFFFAOYSA-N 1 2 325.412 0.697 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccnc(N(C)C)c3)CC2)C1 ZINC000941590193 610398954 /nfs/dbraw/zinc/39/89/54/610398954.db2.gz FYFNOJGTLOLAGT-UHFFFAOYSA-N 1 2 327.432 0.223 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)C1 ZINC000941657577 610431653 /nfs/dbraw/zinc/43/16/53/610431653.db2.gz BRIUIUFNPBWFEU-INIZCTEOSA-N 1 2 327.428 0.916 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ncccc3OC)CC2)C1 ZINC000941649139 610440040 /nfs/dbraw/zinc/44/00/40/610440040.db2.gz OOIKQPURZUCORQ-UHFFFAOYSA-N 1 2 328.416 0.556 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C[C@H]3CCCCC(=O)N3)CC2)C1 ZINC000941653485 610443305 /nfs/dbraw/zinc/44/33/05/610443305.db2.gz WEZJIKOJWLRUDP-MRXNPFEDSA-N 1 2 346.475 0.287 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCn3cc(C)cn3)CC2)C1 ZINC000941676916 610449495 /nfs/dbraw/zinc/44/94/95/610449495.db2.gz HWUUHKVWFDZUJN-UHFFFAOYSA-N 1 2 329.448 0.433 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C)C[C@H]1OC ZINC000942516882 610496338 /nfs/dbraw/zinc/49/63/38/610496338.db2.gz ZKXJWRZIZYASGG-DGXTUMSLSA-N 1 2 333.432 0.082 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C)C[C@H]1OC ZINC000942516882 610496340 /nfs/dbraw/zinc/49/63/40/610496340.db2.gz ZKXJWRZIZYASGG-DGXTUMSLSA-N 1 2 333.432 0.082 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC000942549177 610508740 /nfs/dbraw/zinc/50/87/40/610508740.db2.gz JAOBIAHUCHFXDP-CKEIUWERSA-N 1 2 334.420 0.827 20 30 ECEDLO CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000942593194 610527481 /nfs/dbraw/zinc/52/74/81/610527481.db2.gz YPPBMWZAFWLHJU-COLVAYQJSA-N 1 2 341.371 0.678 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(C)n3)C[C@@H]2C)c1 ZINC000942616335 610538683 /nfs/dbraw/zinc/53/86/83/610538683.db2.gz KTKQMAPJTYBMKF-GUYCJALGSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3cnn(C)n3)C[C@@H]2C)c1 ZINC000942616335 610538685 /nfs/dbraw/zinc/53/86/85/610538685.db2.gz KTKQMAPJTYBMKF-GUYCJALGSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)nc1 ZINC000941875353 610549092 /nfs/dbraw/zinc/54/90/92/610549092.db2.gz ZNVRYWKHOFMPKZ-CQSZACIVSA-N 1 2 337.383 0.750 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000941202569 610593837 /nfs/dbraw/zinc/59/38/37/610593837.db2.gz DWNLAQIWOJKVNR-YOEHRIQHSA-N 1 2 346.431 0.994 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccnn3CC3CCC3)CC2)C1 ZINC000941408498 610722603 /nfs/dbraw/zinc/72/26/03/610722603.db2.gz IWIMRCCWCVJGLI-UHFFFAOYSA-N 1 2 341.459 0.758 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ncnn3C)C[C@H]2C)cn1 ZINC000944213859 610785980 /nfs/dbraw/zinc/78/59/80/610785980.db2.gz GWZCPQJHZLGDPB-CJNGLKHVSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ncnn3C)C[C@H]2C)cn1 ZINC000944213859 610785981 /nfs/dbraw/zinc/78/59/81/610785981.db2.gz GWZCPQJHZLGDPB-CJNGLKHVSA-N 1 2 338.415 0.832 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cc(C)[nH]n2)CC1 ZINC000944829491 610801764 /nfs/dbraw/zinc/80/17/64/610801764.db2.gz UTORIEJVPDQJQZ-INIZCTEOSA-N 1 2 343.431 0.537 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2cc(C)[nH]n2)CC1 ZINC000944829491 610801765 /nfs/dbraw/zinc/80/17/65/610801765.db2.gz UTORIEJVPDQJQZ-INIZCTEOSA-N 1 2 343.431 0.537 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)Cc2[nH]cc[nH+]2)[nH]1 ZINC000944237359 610803554 /nfs/dbraw/zinc/80/35/54/610803554.db2.gz XBPOYXKIZMOWAP-GFCCVEGCSA-N 1 2 326.360 0.573 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3nccn3C)C[C@@H]2C)nn1 ZINC000943480268 610867702 /nfs/dbraw/zinc/86/77/02/610867702.db2.gz BNPALCAMERAABM-KBPBESRZSA-N 1 2 343.435 0.838 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3nccn3C)C[C@@H]2C)nn1 ZINC000943480268 610867705 /nfs/dbraw/zinc/86/77/05/610867705.db2.gz BNPALCAMERAABM-KBPBESRZSA-N 1 2 343.435 0.838 20 30 ECEDLO C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H](C)C1 ZINC000943689617 610947994 /nfs/dbraw/zinc/94/79/94/610947994.db2.gz LEBVCENIGQFPHY-TZMCWYRMSA-N 1 2 344.419 0.474 20 30 ECEDLO C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H](C)C1 ZINC000943689617 610947996 /nfs/dbraw/zinc/94/79/96/610947996.db2.gz LEBVCENIGQFPHY-TZMCWYRMSA-N 1 2 344.419 0.474 20 30 ECEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H](C)C1 ZINC000943690304 610948512 /nfs/dbraw/zinc/94/85/12/610948512.db2.gz RLAUWNCGTJUYFO-DGCLKSJQSA-N 1 2 330.392 0.084 20 30 ECEDLO C=CC[N@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H](C)C1 ZINC000943690304 610948514 /nfs/dbraw/zinc/94/85/14/610948514.db2.gz RLAUWNCGTJUYFO-DGCLKSJQSA-N 1 2 330.392 0.084 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cn(C)nn3)[C@H](C)C2)cn1 ZINC000947948671 611752584 /nfs/dbraw/zinc/75/25/84/611752584.db2.gz PCTNJGMQVCIDLG-CZUORRHYSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cn(C)nn3)[C@H](C)C2)cn1 ZINC000947948671 611752585 /nfs/dbraw/zinc/75/25/85/611752585.db2.gz PCTNJGMQVCIDLG-CZUORRHYSA-N 1 2 338.415 0.974 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000950746167 611882340 /nfs/dbraw/zinc/88/23/40/611882340.db2.gz FKXRVLDAMVEMOI-GOEBONIOSA-N 1 2 326.400 0.576 20 30 ECEDLO CCN1CC[C@H]([N@@H+]2CCOC3(CCN(C(=O)[C@H](C)C#N)CC3)C2)C1=O ZINC000949320626 611938241 /nfs/dbraw/zinc/93/82/41/611938241.db2.gz QSKDKBNRBDZWMF-CABCVRRESA-N 1 2 348.447 0.460 20 30 ECEDLO CCN1CC[C@H]([N@H+]2CCOC3(CCN(C(=O)[C@H](C)C#N)CC3)C2)C1=O ZINC000949320626 611938242 /nfs/dbraw/zinc/93/82/42/611938242.db2.gz QSKDKBNRBDZWMF-CABCVRRESA-N 1 2 348.447 0.460 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)CCc3cnn(C)c3C)CC2)C1 ZINC000949379161 611957343 /nfs/dbraw/zinc/95/73/43/611957343.db2.gz QGSCEBGLGHQDPA-UHFFFAOYSA-N 1 2 344.459 0.988 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)CCc3cnn(C)c3C)CC2)C1 ZINC000949379161 611957346 /nfs/dbraw/zinc/95/73/46/611957346.db2.gz QGSCEBGLGHQDPA-UHFFFAOYSA-N 1 2 344.459 0.988 20 30 ECEDLO C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1 ZINC000949394840 611962995 /nfs/dbraw/zinc/96/29/95/611962995.db2.gz GOTUNMQJJRCGLE-HZPDHXFCSA-N 1 2 337.464 0.585 20 30 ECEDLO C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1 ZINC000949394840 611962997 /nfs/dbraw/zinc/96/29/97/611962997.db2.gz GOTUNMQJJRCGLE-HZPDHXFCSA-N 1 2 337.464 0.585 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3nc(C)c(C)[nH]c3=O)CC2)C1 ZINC000949395456 611963403 /nfs/dbraw/zinc/96/34/03/611963403.db2.gz UMJVGZHJCKHVRW-UHFFFAOYSA-N 1 2 344.415 0.327 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3nc(C)c(C)[nH]c3=O)CC2)C1 ZINC000949395456 611963405 /nfs/dbraw/zinc/96/34/05/611963405.db2.gz UMJVGZHJCKHVRW-UHFFFAOYSA-N 1 2 344.415 0.327 20 30 ECEDLO CC(C)(C(=O)N1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1)c1c[nH+]c[nH]1 ZINC000949453115 611986503 /nfs/dbraw/zinc/98/65/03/611986503.db2.gz YLDJEOVTWILMCT-LBPRGKRZSA-N 1 2 340.387 0.918 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCCCC(=O)N3)CC2)C1 ZINC000949468261 611990240 /nfs/dbraw/zinc/99/02/40/611990240.db2.gz BLZHLSHERSFVMW-OAHLLOKOSA-N 1 2 333.432 0.372 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCCCC(=O)N3)CC2)C1 ZINC000949468261 611990242 /nfs/dbraw/zinc/99/02/42/611990242.db2.gz BLZHLSHERSFVMW-OAHLLOKOSA-N 1 2 333.432 0.372 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3nnn(CC)c3CC)CC2)C1 ZINC000949470698 611991374 /nfs/dbraw/zinc/99/13/74/611991374.db2.gz HNPFDMSOFZXNDF-UHFFFAOYSA-N 1 2 345.447 0.801 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3nnn(CC)c3CC)CC2)C1 ZINC000949470698 611991377 /nfs/dbraw/zinc/99/13/77/611991377.db2.gz HNPFDMSOFZXNDF-UHFFFAOYSA-N 1 2 345.447 0.801 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3c[nH]c(=O)cc3OC)CC2)C1 ZINC000949475029 611993579 /nfs/dbraw/zinc/99/35/79/611993579.db2.gz UYXFMKUIYXDYDY-UHFFFAOYSA-N 1 2 345.399 0.736 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3c[nH]c(=O)cc3OC)CC2)C1 ZINC000949475029 611993582 /nfs/dbraw/zinc/99/35/82/611993582.db2.gz UYXFMKUIYXDYDY-UHFFFAOYSA-N 1 2 345.399 0.736 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCc4nncn4C3)CC2)C1 ZINC000949529549 612022640 /nfs/dbraw/zinc/02/26/40/612022640.db2.gz ZIMAWBGKWNDHNZ-OAHLLOKOSA-N 1 2 343.431 0.167 20 30 ECEDLO 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/nfs/dbraw/zinc/34/49/40/612344940.db2.gz QQOYXKCECYKDNU-UHFFFAOYSA-N 1 2 342.403 0.121 20 30 ECEDLO CN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)C1CN(C(=O)C#CC2CC2)C1 ZINC000955267736 612398043 /nfs/dbraw/zinc/39/80/43/612398043.db2.gz KJYIZEOTUAVQFZ-CQSZACIVSA-N 1 2 326.400 0.912 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](CCN2CCCC2=O)CC1 ZINC000951699404 612483760 /nfs/dbraw/zinc/48/37/60/612483760.db2.gz CGEJVOVXZVBSQP-RDJZCZTQSA-N 1 2 335.448 0.734 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000953994043 612532176 /nfs/dbraw/zinc/53/21/76/612532176.db2.gz IFWZQXHWZKGNFF-CHWSQXEVSA-N 1 2 338.371 0.696 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000953994043 612532182 /nfs/dbraw/zinc/53/21/82/612532182.db2.gz IFWZQXHWZKGNFF-CHWSQXEVSA-N 1 2 338.371 0.696 20 30 ECEDLO O=C(C#CC1CC1)N1CCC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000956004016 612595762 /nfs/dbraw/zinc/59/57/62/612595762.db2.gz 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0.181 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3nc4ncc(C)cn4n3)C2)C1 ZINC000972428664 736177595 /nfs/dbraw/zinc/17/75/95/736177595.db2.gz MNOVSXOCLGKMHZ-QGZVFWFLSA-N 1 2 342.403 0.536 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3nc4ncc(C)cn4n3)C2)C1 ZINC000972428664 736177598 /nfs/dbraw/zinc/17/75/98/736177598.db2.gz MNOVSXOCLGKMHZ-QGZVFWFLSA-N 1 2 342.403 0.536 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccnn3CCOC)C2)C1 ZINC000972429010 736178330 /nfs/dbraw/zinc/17/83/30/736178330.db2.gz UHHHZSIOWRGUSF-QGZVFWFLSA-N 1 2 332.404 0.080 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccnn3CCOC)C2)C1 ZINC000972429010 736178333 /nfs/dbraw/zinc/17/83/33/736178333.db2.gz UHHHZSIOWRGUSF-QGZVFWFLSA-N 1 2 332.404 0.080 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)CC3CS(=O)(=O)C3)C2)C1 ZINC000972441391 736201841 /nfs/dbraw/zinc/20/18/41/736201841.db2.gz RVQPQVGEJIWUSU-MRXNPFEDSA-N 1 2 342.461 0.301 20 30 ECEDLO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)CC3CS(=O)(=O)C3)C2)C1 ZINC000972441391 736201844 /nfs/dbraw/zinc/20/18/44/736201844.db2.gz RVQPQVGEJIWUSU-MRXNPFEDSA-N 1 2 342.461 0.301 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 ZINC000972449752 736229121 /nfs/dbraw/zinc/22/91/21/736229121.db2.gz NVLNDAQJIRMIDQ-GOSISDBHSA-N 1 2 339.399 0.670 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 ZINC000972449752 736229124 /nfs/dbraw/zinc/22/91/24/736229124.db2.gz NVLNDAQJIRMIDQ-GOSISDBHSA-N 1 2 339.399 0.670 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)C2)C1 ZINC000972455456 736241674 /nfs/dbraw/zinc/24/16/74/736241674.db2.gz CXHMOFAHXVJRNT-AEFFLSMTSA-N 1 2 335.448 0.734 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)C2)C1 ZINC000972455456 736241676 /nfs/dbraw/zinc/24/16/76/736241676.db2.gz CXHMOFAHXVJRNT-AEFFLSMTSA-N 1 2 335.448 0.734 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)ccc3=O)C2)C1 ZINC000972457172 736249064 /nfs/dbraw/zinc/24/90/64/736249064.db2.gz AGFQCGJICDQCHE-SFHVURJKSA-N 1 2 329.400 0.326 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)ccc3=O)C2)C1 ZINC000972457172 736249068 /nfs/dbraw/zinc/24/90/68/736249068.db2.gz AGFQCGJICDQCHE-SFHVURJKSA-N 1 2 329.400 0.326 20 30 ECEDLO C=CCn1cc(C(=O)N(C)CCCN(C)C(=O)Cc2[nH]cc[nH+]2)nn1 ZINC001067458176 736404256 /nfs/dbraw/zinc/40/42/56/736404256.db2.gz NUAZDYLLGVRVKT-UHFFFAOYSA-N 1 2 345.407 0.350 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3cc(OC)no3)C2)nn1 ZINC000972507447 736461902 /nfs/dbraw/zinc/46/19/02/736461902.db2.gz VEGONALVABHXNN-GFCCVEGCSA-N 1 2 346.391 0.807 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([N@H+](C)Cc3cc(OC)no3)C2)nn1 ZINC000972507447 736461904 /nfs/dbraw/zinc/46/19/04/736461904.db2.gz VEGONALVABHXNN-GFCCVEGCSA-N 1 2 346.391 0.807 20 30 ECEDLO Cn1nnnc1C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001023318017 736674149 /nfs/dbraw/zinc/67/41/49/736674149.db2.gz AHDYXHBLOXUYSL-NSHDSACASA-N 1 2 328.380 0.052 20 30 ECEDLO Cn1nnnc1C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001023318017 736674152 /nfs/dbraw/zinc/67/41/52/736674152.db2.gz AHDYXHBLOXUYSL-NSHDSACASA-N 1 2 328.380 0.052 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3nccn4ccnc34)C2)C1 ZINC000972556099 736745496 /nfs/dbraw/zinc/74/54/96/736745496.db2.gz CFDOFVAOUYTKQB-KRWDZBQOSA-N 1 2 327.388 0.832 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3nccn4ccnc34)C2)C1 ZINC000972556099 736745498 /nfs/dbraw/zinc/74/54/98/736745498.db2.gz CFDOFVAOUYTKQB-KRWDZBQOSA-N 1 2 327.388 0.832 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)C1 ZINC000972573086 736890265 /nfs/dbraw/zinc/89/02/65/736890265.db2.gz TVFPRBVMLYZVLK-JZXOWHBKSA-N 1 2 328.416 0.460 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)C1 ZINC000972573086 736890266 /nfs/dbraw/zinc/89/02/66/736890266.db2.gz TVFPRBVMLYZVLK-JZXOWHBKSA-N 1 2 328.416 0.460 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)C2)C1 ZINC000972574435 736892251 /nfs/dbraw/zinc/89/22/51/736892251.db2.gz ZXTRDYPMPOXLRM-VQIMIIECSA-N 1 2 347.459 0.572 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)C2)C1 ZINC000972574435 736892252 /nfs/dbraw/zinc/89/22/52/736892252.db2.gz ZXTRDYPMPOXLRM-VQIMIIECSA-N 1 2 347.459 0.572 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(C)nn(C)c3OC)C2)C1 ZINC000972579025 736919832 /nfs/dbraw/zinc/91/98/32/736919832.db2.gz WLPFKDDGNXIHMW-QGZVFWFLSA-N 1 2 334.420 0.840 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(C)nn(C)c3OC)C2)C1 ZINC000972579025 736919836 /nfs/dbraw/zinc/91/98/36/736919836.db2.gz WLPFKDDGNXIHMW-QGZVFWFLSA-N 1 2 334.420 0.840 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3cnn(CC)c3)C2)C1 ZINC000972632909 737173812 /nfs/dbraw/zinc/17/38/12/737173812.db2.gz XDBUXVPEFKVFOH-SFHVURJKSA-N 1 2 330.432 0.772 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cnn(CC)c3)C2)C1 ZINC000972632909 737173814 /nfs/dbraw/zinc/17/38/14/737173814.db2.gz XDBUXVPEFKVFOH-SFHVURJKSA-N 1 2 330.432 0.772 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnn4cc[nH]c34)C2)C1 ZINC000972654982 737262030 /nfs/dbraw/zinc/26/20/30/737262030.db2.gz ZCFGQIIGSPOOJZ-KRWDZBQOSA-N 1 2 327.388 0.603 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnn4cc[nH]c34)C2)C1 ZINC000972654982 737262035 /nfs/dbraw/zinc/26/20/35/737262035.db2.gz ZCFGQIIGSPOOJZ-KRWDZBQOSA-N 1 2 327.388 0.603 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(C(=O)NC)n3)C2)C1 ZINC000972658755 737268841 /nfs/dbraw/zinc/26/88/41/737268841.db2.gz GTXUUGTUFRSGPV-SFHVURJKSA-N 1 2 344.415 0.544 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(C(=O)NC)n3)C2)C1 ZINC000972658755 737268842 /nfs/dbraw/zinc/26/88/42/737268842.db2.gz GTXUUGTUFRSGPV-SFHVURJKSA-N 1 2 344.415 0.544 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CCN(C(C)=O)CC3)C2)C1 ZINC000972670218 737320626 /nfs/dbraw/zinc/32/06/26/737320626.db2.gz ZMPXKRQSKOHOPI-SFHVURJKSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CCN(C(C)=O)CC3)C2)C1 ZINC000972670218 737320628 /nfs/dbraw/zinc/32/06/28/737320628.db2.gz ZMPXKRQSKOHOPI-SFHVURJKSA-N 1 2 333.432 0.181 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)C2)C1 ZINC000972687723 737378024 /nfs/dbraw/zinc/37/80/24/737378024.db2.gz IIZJPPBZHWDRGL-CRAIPNDOSA-N 1 2 333.432 0.181 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)C2)C1 ZINC000972687723 737378029 /nfs/dbraw/zinc/37/80/29/737378029.db2.gz IIZJPPBZHWDRGL-CRAIPNDOSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)N3CCCCC3=O)C2)C1 ZINC000972688847 737385995 /nfs/dbraw/zinc/38/59/95/737385995.db2.gz RAXPHHBEJLFSSD-CRAIPNDOSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)N3CCCCC3=O)C2)C1 ZINC000972688847 737386000 /nfs/dbraw/zinc/38/60/00/737386000.db2.gz RAXPHHBEJLFSSD-CRAIPNDOSA-N 1 2 333.432 0.324 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc(C(N)=O)n3)C2)C1 ZINC000972692943 737400631 /nfs/dbraw/zinc/40/06/31/737400631.db2.gz TUWQSKIZLQGCAU-GOSISDBHSA-N 1 2 342.399 0.121 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc(C(N)=O)n3)C2)C1 ZINC000972692943 737400638 /nfs/dbraw/zinc/40/06/38/737400638.db2.gz TUWQSKIZLQGCAU-GOSISDBHSA-N 1 2 342.399 0.121 20 30 ECEDLO C[NH+](C)[C@H](C(=O)N1CC[C@]2(C1)CN(CC#N)CCO2)c1cccnc1 ZINC000972695481 737405578 /nfs/dbraw/zinc/40/55/78/737405578.db2.gz TVGDDFYIBXINRY-FUHWJXTLSA-N 1 2 343.431 0.511 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(C)CC=CC2)C[C@H]1O ZINC001024358070 737920331 /nfs/dbraw/zinc/92/03/31/737920331.db2.gz AKTDCZJJLKGIAX-OWCLPIDISA-N 1 2 345.443 0.128 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(C)CC=CC2)C[C@H]1O ZINC001024358070 737920335 /nfs/dbraw/zinc/92/03/35/737920335.db2.gz AKTDCZJJLKGIAX-OWCLPIDISA-N 1 2 345.443 0.128 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(C)CCCC2)C[C@H]1O ZINC001024358504 737920858 /nfs/dbraw/zinc/92/08/58/737920858.db2.gz METRCPUDYLXLII-OWCLPIDISA-N 1 2 347.459 0.352 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(C)CCCC2)C[C@H]1O ZINC001024358504 737920860 /nfs/dbraw/zinc/92/08/60/737920860.db2.gz METRCPUDYLXLII-OWCLPIDISA-N 1 2 347.459 0.352 20 30 ECEDLO C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001104613429 739211224 /nfs/dbraw/zinc/21/12/24/739211224.db2.gz KXXQAAUNTTUVRK-ZDUSSCGKSA-N 1 2 346.435 0.718 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NC2CC2)nn1 ZINC001028192334 751432221 /nfs/dbraw/zinc/43/22/21/751432221.db2.gz KPTAMBPTDHYANU-CQSZACIVSA-N 1 2 346.435 0.327 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NC2CC2)nn1 ZINC001028192334 751432228 /nfs/dbraw/zinc/43/22/28/751432228.db2.gz KPTAMBPTDHYANU-CQSZACIVSA-N 1 2 346.435 0.327 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CCc3nnnn3CC2)CC1 ZINC000982003484 751445365 /nfs/dbraw/zinc/44/53/65/751445365.db2.gz XYOFCZYLBMGYGW-CYBMUJFWSA-N 1 2 338.843 0.912 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CCc3nnnn3CC2)CC1 ZINC000982003484 751445367 /nfs/dbraw/zinc/44/53/67/751445367.db2.gz XYOFCZYLBMGYGW-CYBMUJFWSA-N 1 2 338.843 0.912 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nncn1C)C2 ZINC001112018043 739468403 /nfs/dbraw/zinc/46/84/03/739468403.db2.gz YMDTWPQIOQWYRN-ZQIUZPCESA-N 1 2 333.436 0.877 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nncn1C)C2 ZINC001112018043 739468405 /nfs/dbraw/zinc/46/84/05/739468405.db2.gz YMDTWPQIOQWYRN-ZQIUZPCESA-N 1 2 333.436 0.877 20 30 ECEDLO N#Cc1ccc(N2CCC3(C[C@H]3NC(=O)Cn3cc[nH+]c3)CC2)nn1 ZINC001058638291 739637294 /nfs/dbraw/zinc/63/72/94/739637294.db2.gz RJRBJXUMHZQBDS-CQSZACIVSA-N 1 2 337.387 0.720 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2O)CC1 ZINC001025485618 739648910 /nfs/dbraw/zinc/64/89/10/739648910.db2.gz WJYSHZVMIGYSLE-HUUCEWRRSA-N 1 2 346.431 0.777 20 30 ECEDLO Cc1c[nH+]c2cc(C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)ccn12 ZINC001058656602 739835480 /nfs/dbraw/zinc/83/54/80/739835480.db2.gz HDIFUJFQIDKSAA-GFCCVEGCSA-N 1 2 343.387 0.353 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2ncccc2F)[C@@H](n2ccnn2)C1 ZINC001070008065 790309624 /nfs/dbraw/zinc/30/96/24/790309624.db2.gz PEHZSPNNYILIRH-CVEARBPZSA-N 1 2 342.378 0.420 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2ncccc2F)[C@@H](n2ccnn2)C1 ZINC001070008065 790309631 /nfs/dbraw/zinc/30/96/31/790309631.db2.gz PEHZSPNNYILIRH-CVEARBPZSA-N 1 2 342.378 0.420 20 30 ECEDLO CN(C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(=O)c1ccc(C#N)[nH]1 ZINC000988096624 751528986 /nfs/dbraw/zinc/52/89/86/751528986.db2.gz VHHCQGDOYAKISX-ZDUSSCGKSA-N 1 2 340.387 0.704 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000974045585 740834786 /nfs/dbraw/zinc/83/47/86/740834786.db2.gz YAXZAOXXLCMEEM-TXEJJXNPSA-N 1 2 326.360 0.240 20 30 ECEDLO C=CCCC(=O)N1CC(n2cc(C[NH2+]CC(=O)NCCC)nn2)C1 ZINC001105183342 741448923 /nfs/dbraw/zinc/44/89/23/741448923.db2.gz MHOXOXSIJVYONA-UHFFFAOYSA-N 1 2 334.424 0.243 20 30 ECEDLO C=CCCC(=O)N1CC(n2cc(C[NH2+][C@H](CCCC)C(N)=O)nn2)C1 ZINC001105185653 741449046 /nfs/dbraw/zinc/44/90/46/741449046.db2.gz OSPSWKJWVTZESN-OAHLLOKOSA-N 1 2 348.451 0.761 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C[C@H](C)CC)C2)nn1 ZINC001105227300 741508506 /nfs/dbraw/zinc/50/85/06/741508506.db2.gz FNSXBGVTQYPRDB-CYBMUJFWSA-N 1 2 348.451 0.489 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccnn3CC(C)C)C2)nn1 ZINC001105252357 741561948 /nfs/dbraw/zinc/56/19/48/741561948.db2.gz MOLMQUHDMOPYCA-UHFFFAOYSA-N 1 2 341.419 0.551 20 30 ECEDLO C#CCC1(C(=O)N2CC(n3cc(C[NH2+]CC#CC)nn3)C2)CCC1 ZINC001105259996 741583074 /nfs/dbraw/zinc/58/30/74/741583074.db2.gz WIZIWZLDQBFMTM-UHFFFAOYSA-N 1 2 325.416 0.968 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C4CC4)cnn3C)C2)nn1 ZINC001105259919 741583084 /nfs/dbraw/zinc/58/30/84/741583084.db2.gz RRCPLMHRWSCTNQ-UHFFFAOYSA-N 1 2 339.403 0.309 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccc(F)cn3)C2)nn1 ZINC001105272959 741618474 /nfs/dbraw/zinc/61/84/74/741618474.db2.gz VASGEZCQYCZLOR-UHFFFAOYSA-N 1 2 328.351 0.161 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](OC)[C@H](C)CC)C2)nn1 ZINC001105275437 741622099 /nfs/dbraw/zinc/62/20/99/741622099.db2.gz QEKUDOVKUWIYNR-CJNGLKHVSA-N 1 2 333.436 0.835 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(Cl)cn3C)C2)nn1 ZINC001105278387 741632995 /nfs/dbraw/zinc/63/29/95/741632995.db2.gz AIWKYTOFWWIEIX-UHFFFAOYSA-N 1 2 332.795 0.690 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc4ncccc4o3)C2)nn1 ZINC001105283349 741640892 /nfs/dbraw/zinc/64/08/92/741640892.db2.gz KIRIIMXSXAVZJU-UHFFFAOYSA-N 1 2 336.355 0.839 20 30 ECEDLO C=C1CCC(C(=O)N(CCO)CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001058725361 741643645 /nfs/dbraw/zinc/64/36/45/741643645.db2.gz DAIMUVQJTRGLRP-UHFFFAOYSA-N 1 2 348.447 0.944 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC(n2cc(C[NH2+]CC(=O)N(C)C)nn2)C1 ZINC001105310085 741719452 /nfs/dbraw/zinc/71/94/52/741719452.db2.gz OGCLULUFOMPIEU-ZDUSSCGKSA-N 1 2 348.451 0.442 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)CCn1cc[nH+]c1 ZINC001058730989 741757427 /nfs/dbraw/zinc/75/74/27/741757427.db2.gz OAPIEUUBFGHOMX-QGZVFWFLSA-N 1 2 336.436 0.813 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)CC(C)(F)F)C2)nn1 ZINC001105318954 741765141 /nfs/dbraw/zinc/76/51/41/741765141.db2.gz VIZXEXGBTGHONG-UHFFFAOYSA-N 1 2 341.362 0.446 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CC(n2cc(C[NH2+]CC(=O)NCC)nn2)C1 ZINC001105322436 741781133 /nfs/dbraw/zinc/78/11/33/741781133.db2.gz PLTJIRLAUNNCOO-KRWDZBQOSA-N 1 2 348.451 0.489 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnnc4ccccc43)C2)nn1 ZINC001105335392 742137788 /nfs/dbraw/zinc/13/77/88/742137788.db2.gz ZGAHEWYJLBGLLY-UHFFFAOYSA-N 1 2 347.382 0.641 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC000974765393 742154666 /nfs/dbraw/zinc/15/46/66/742154666.db2.gz LRYXILLEUFWWIS-BFHYXJOUSA-N 1 2 329.404 0.572 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2cnnn2C)CC1(C)C ZINC000975064183 742469792 /nfs/dbraw/zinc/46/97/92/742469792.db2.gz LXRKJYNSIHHGAF-ILXRZTDVSA-N 1 2 333.436 0.733 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2cnnn2C)CC1(C)C ZINC000975064183 742469796 /nfs/dbraw/zinc/46/97/96/742469796.db2.gz LXRKJYNSIHHGAF-ILXRZTDVSA-N 1 2 333.436 0.733 20 30 ECEDLO C=CCCCC[NH+]1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001167772125 742561484 /nfs/dbraw/zinc/56/14/84/742561484.db2.gz HCGJKINSHVYORH-OAHLLOKOSA-N 1 2 343.493 0.264 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)c1 ZINC000975417776 742826821 /nfs/dbraw/zinc/82/68/21/742826821.db2.gz LLCCYMDQPBGSET-IUODEOHRSA-N 1 2 338.371 0.525 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)nc1 ZINC000997094260 743227639 /nfs/dbraw/zinc/22/76/39/743227639.db2.gz XLORFOGRIXZFMN-ZDUSSCGKSA-N 1 2 337.383 0.851 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)n3nc(C)cc3C)C2)nn1 ZINC001105381041 743440116 /nfs/dbraw/zinc/44/01/16/743440116.db2.gz MBGBPOTZMYFCOZ-CQSZACIVSA-N 1 2 341.419 0.459 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn(CCOC)nn2)[C@H]1C ZINC001088560413 751830475 /nfs/dbraw/zinc/83/04/75/751830475.db2.gz OPRMWPSFZRXHHR-NEPJUHHUSA-N 1 2 327.816 0.870 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn(CCOC)nn2)[C@H]1C ZINC001088560413 751830482 /nfs/dbraw/zinc/83/04/82/751830482.db2.gz OPRMWPSFZRXHHR-NEPJUHHUSA-N 1 2 327.816 0.870 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@H]3CCOC3)C2)nn1 ZINC001098641662 751853359 /nfs/dbraw/zinc/85/33/59/751853359.db2.gz WHSNQPAKDUNRJM-GDBMZVCRSA-N 1 2 331.420 0.591 20 30 ECEDLO Cn1cc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001027372431 744021650 /nfs/dbraw/zinc/02/16/50/744021650.db2.gz SDIRCDRKEMSOQJ-CQSZACIVSA-N 1 2 327.392 0.751 20 30 ECEDLO Cn1cc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001027372431 744021653 /nfs/dbraw/zinc/02/16/53/744021653.db2.gz SDIRCDRKEMSOQJ-CQSZACIVSA-N 1 2 327.392 0.751 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC000976864772 744418337 /nfs/dbraw/zinc/41/83/37/744418337.db2.gz CZHHKUISMOEODQ-VIKVFOODSA-N 1 2 338.371 0.049 20 30 ECEDLO C#Cc1cncc(C(=O)NC2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)c1 ZINC000999319910 744624211 /nfs/dbraw/zinc/62/42/11/744624211.db2.gz NZDLDYZIEFCLGO-LBPRGKRZSA-N 1 2 337.383 0.605 20 30 ECEDLO C#Cc1cncc(C(=O)NC2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)c1 ZINC000999319910 744624213 /nfs/dbraw/zinc/62/42/13/744624213.db2.gz NZDLDYZIEFCLGO-LBPRGKRZSA-N 1 2 337.383 0.605 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000977158360 744726672 /nfs/dbraw/zinc/72/66/72/744726672.db2.gz CHEBHBQLRFAOAY-SSKLVLDBSA-N 1 2 327.388 0.562 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nnn(C)n2)C1 ZINC000999524049 744737943 /nfs/dbraw/zinc/73/79/43/744737943.db2.gz OVLXZVXEABKVON-UJJWPFCGSA-N 1 2 348.451 0.660 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2CC(=O)NC(=O)C2)C(C)(C)C1 ZINC000977330506 744873044 /nfs/dbraw/zinc/87/30/44/744873044.db2.gz UPLUWTPGPUEMQP-NSHDSACASA-N 1 2 327.812 0.618 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2CC(=O)NC(=O)C2)C(C)(C)C1 ZINC000977330506 744873048 /nfs/dbraw/zinc/87/30/48/744873048.db2.gz UPLUWTPGPUEMQP-NSHDSACASA-N 1 2 327.812 0.618 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C(C)(C)C1 ZINC000977538365 745161349 /nfs/dbraw/zinc/16/13/49/745161349.db2.gz HUGPLZLQECACTO-GFCCVEGCSA-N 1 2 341.843 0.469 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C(C)(C)C1 ZINC000977538365 745161352 /nfs/dbraw/zinc/16/13/52/745161352.db2.gz HUGPLZLQECACTO-GFCCVEGCSA-N 1 2 341.843 0.469 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3oc(CCC)nc3C)C2)nn1 ZINC001105360636 751978783 /nfs/dbraw/zinc/97/87/83/751978783.db2.gz DFIRYSJDKJSQNJ-UHFFFAOYSA-N 1 2 342.403 0.947 20 30 ECEDLO CN(C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(=O)c1cc(C#N)c[nH]1 ZINC000988391458 751984567 /nfs/dbraw/zinc/98/45/67/751984567.db2.gz CMKNDUKRDPHMPW-LBPRGKRZSA-N 1 2 340.387 0.773 20 30 ECEDLO CN(C[C@@H]1CCN1C(=O)CCn1cc[nH+]c1)C(=O)c1ccc(C#N)[nH]1 ZINC000977609161 745264783 /nfs/dbraw/zinc/26/47/83/745264783.db2.gz XHOCSFBHHOXMKI-AWEZNQCLSA-N 1 2 340.387 0.846 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001000134925 745285155 /nfs/dbraw/zinc/28/51/55/745285155.db2.gz QSFXCEODPWCIJE-FXUDXRNXSA-N 1 2 347.459 0.921 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001000134925 745285156 /nfs/dbraw/zinc/28/51/56/745285156.db2.gz QSFXCEODPWCIJE-FXUDXRNXSA-N 1 2 347.459 0.921 20 30 ECEDLO CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000977933544 745691011 /nfs/dbraw/zinc/69/10/11/745691011.db2.gz VEGIMXVPCFRBKR-RRFJBIMHSA-N 1 2 326.400 0.986 20 30 ECEDLO CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000977933544 745691015 /nfs/dbraw/zinc/69/10/15/745691015.db2.gz VEGIMXVPCFRBKR-RRFJBIMHSA-N 1 2 326.400 0.986 20 30 ECEDLO Cn1cnnc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC000977951914 745706675 /nfs/dbraw/zinc/70/66/75/745706675.db2.gz GVWZRKCCLSNFGN-XYYAHUGASA-N 1 2 325.376 0.123 20 30 ECEDLO Cn1cnnc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC000977951914 745706678 /nfs/dbraw/zinc/70/66/78/745706678.db2.gz GVWZRKCCLSNFGN-XYYAHUGASA-N 1 2 325.376 0.123 20 30 ECEDLO N#Cc1nccnc1N1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001058792857 745762749 /nfs/dbraw/zinc/76/27/49/745762749.db2.gz RSBQUKBGEKBUOB-OKILXGFUSA-N 1 2 337.387 0.815 20 30 ECEDLO N#CCN1CC=C(CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001000998392 745963362 /nfs/dbraw/zinc/96/33/62/745963362.db2.gz DGOYIYWADJVSIN-KRWDZBQOSA-N 1 2 332.448 0.759 20 30 ECEDLO N#CCN1CC=C(CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001000998392 745963365 /nfs/dbraw/zinc/96/33/65/745963365.db2.gz DGOYIYWADJVSIN-KRWDZBQOSA-N 1 2 332.448 0.759 20 30 ECEDLO N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001059336896 746000850 /nfs/dbraw/zinc/00/08/50/746000850.db2.gz WSDOILQNZLOHJT-AVGNSLFASA-N 1 2 337.387 0.866 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@H+](CCS(C)(=O)=O)CC1 ZINC001001164837 746128667 /nfs/dbraw/zinc/12/86/67/746128667.db2.gz ZONXWWXFPQWHFB-CABCVRRESA-N 1 2 342.461 0.370 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+](CCS(C)(=O)=O)CC1 ZINC001001164837 746128668 /nfs/dbraw/zinc/12/86/68/746128668.db2.gz ZONXWWXFPQWHFB-CABCVRRESA-N 1 2 342.461 0.370 20 30 ECEDLO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001211944690 752066815 /nfs/dbraw/zinc/06/68/15/752066815.db2.gz IFGWWFCCZFUOSH-HUUCEWRRSA-N 1 2 346.387 0.230 20 30 ECEDLO COC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001211944690 752066824 /nfs/dbraw/zinc/06/68/24/752066824.db2.gz IFGWWFCCZFUOSH-HUUCEWRRSA-N 1 2 346.387 0.230 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)[C@@H]1CC ZINC001087729461 746255184 /nfs/dbraw/zinc/25/51/84/746255184.db2.gz DMNYKFHWLTUYPT-RQJABVFESA-N 1 2 349.435 0.169 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)[C@@H]1CC ZINC001087729461 746255185 /nfs/dbraw/zinc/25/51/85/746255185.db2.gz DMNYKFHWLTUYPT-RQJABVFESA-N 1 2 349.435 0.169 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2CC[NH+](Cc3nnnn3C)CC2)cc1 ZINC001001703527 746618189 /nfs/dbraw/zinc/61/81/89/746618189.db2.gz VUXUZAWLOWWJRU-UHFFFAOYSA-N 1 2 338.415 0.833 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000978727838 746638380 /nfs/dbraw/zinc/63/83/80/746638380.db2.gz AENOTPORYHODLR-BJHJDKERSA-N 1 2 340.387 0.487 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](CC(=O)Nc3ccon3)CC[C@@H]2C1 ZINC001087909667 746640215 /nfs/dbraw/zinc/64/02/15/746640215.db2.gz SVTSXJXGDLBLGP-XQQFMLRXSA-N 1 2 331.376 0.553 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](CC(=O)Nc3ccon3)CC[C@@H]2C1 ZINC001087909667 746640217 /nfs/dbraw/zinc/64/02/17/746640217.db2.gz SVTSXJXGDLBLGP-XQQFMLRXSA-N 1 2 331.376 0.553 20 30 ECEDLO CCc1nnc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]3C2)n1C ZINC001087911562 746646240 /nfs/dbraw/zinc/64/62/40/746646240.db2.gz ZRUWZZTVARQEMT-MCIONIFRSA-N 1 2 330.436 0.817 20 30 ECEDLO CCc1nnc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]3C2)n1C ZINC001087911562 746646243 /nfs/dbraw/zinc/64/62/43/746646243.db2.gz ZRUWZZTVARQEMT-MCIONIFRSA-N 1 2 330.436 0.817 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)[nH]1 ZINC000978733617 746647288 /nfs/dbraw/zinc/64/72/88/746647288.db2.gz TYGLMCIBFYZIHZ-KLPPZKSPSA-N 1 2 326.360 0.477 20 30 ECEDLO C=CCn1cc(C(=O)NCC2CC[NH+](Cc3nc(C)no3)CC2)nn1 ZINC001001918278 746806726 /nfs/dbraw/zinc/80/67/26/746806726.db2.gz GQSFWMYBAWIZAY-UHFFFAOYSA-N 1 2 345.407 0.798 20 30 ECEDLO C=CCn1cc(C(=O)NCC2CC[NH+](Cc3cnns3)CC2)nn1 ZINC001001919803 746808182 /nfs/dbraw/zinc/80/81/82/746808182.db2.gz ZKDGPJDKCDZJCE-UHFFFAOYSA-N 1 2 347.448 0.958 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001007154204 752134969 /nfs/dbraw/zinc/13/49/69/752134969.db2.gz DVYHPDUQJVGNEO-QZTJIDSGSA-N 1 2 342.443 0.969 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001007154204 752134973 /nfs/dbraw/zinc/13/49/73/752134973.db2.gz DVYHPDUQJVGNEO-QZTJIDSGSA-N 1 2 342.443 0.969 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001002216895 747093838 /nfs/dbraw/zinc/09/38/38/747093838.db2.gz ZJAGZJOPMQTSGY-CABCVRRESA-N 1 2 346.431 0.898 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000985066780 747314109 /nfs/dbraw/zinc/31/41/09/747314109.db2.gz JMAVYYGPEUMBST-LSDHHAIUSA-N 1 2 340.387 0.892 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3ncccc3O)C2)C1=O ZINC001007187914 752172584 /nfs/dbraw/zinc/17/25/84/752172584.db2.gz HRWOKRXCBPXTJR-ZIAGYGMSSA-N 1 2 344.415 0.768 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3ncccc3O)C2)C1=O ZINC001007187914 752172586 /nfs/dbraw/zinc/17/25/86/752172586.db2.gz HRWOKRXCBPXTJR-ZIAGYGMSSA-N 1 2 344.415 0.768 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnn(C)n3)CC[C@@H]2C1 ZINC001088112740 747411544 /nfs/dbraw/zinc/41/15/44/747411544.db2.gz VDMDQMLYRZYBFQ-WTTBNOFXSA-N 1 2 345.447 0.687 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnn(C)n3)CC[C@@H]2C1 ZINC001088112740 747411546 /nfs/dbraw/zinc/41/15/46/747411546.db2.gz VDMDQMLYRZYBFQ-WTTBNOFXSA-N 1 2 345.447 0.687 20 30 ECEDLO O=C([C@@H]1CCC(=O)N1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029557584 747489149 /nfs/dbraw/zinc/48/91/49/747489149.db2.gz FMGYBZPTNNAEFK-KSZLIROESA-N 1 2 337.423 0.992 20 30 ECEDLO O=C([C@@H]1CCC(=O)N1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029557584 747489154 /nfs/dbraw/zinc/48/91/54/747489154.db2.gz FMGYBZPTNNAEFK-KSZLIROESA-N 1 2 337.423 0.992 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000985340984 747743811 /nfs/dbraw/zinc/74/38/11/747743811.db2.gz JDZPLRPBDXUXJJ-UONOGXRCSA-N 1 2 340.387 0.961 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000985340983 747743865 /nfs/dbraw/zinc/74/38/65/747743865.db2.gz JCVTWBAGKRVWJQ-GXTWGEPZSA-N 1 2 340.387 0.961 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)CCN(C)c1[nH+]cnc2c1cnn2C ZINC001105468897 752214286 /nfs/dbraw/zinc/21/42/86/752214286.db2.gz GPWGQGVGXLZDKA-GFCCVEGCSA-N 1 2 330.392 0.296 20 30 ECEDLO C#CCOCCC(=O)N(C)CCN(C)c1ncnc2c1C[N@H+](C)CC2 ZINC001105468874 752214594 /nfs/dbraw/zinc/21/45/94/752214594.db2.gz FPUXRFSOEQDNTQ-UHFFFAOYSA-N 1 2 345.447 0.399 20 30 ECEDLO C#CCOCCC(=O)N(C)CCN(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC001105468874 752214600 /nfs/dbraw/zinc/21/46/00/752214600.db2.gz FPUXRFSOEQDNTQ-UHFFFAOYSA-N 1 2 345.447 0.399 20 30 ECEDLO CCCCn1nnnc1C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC001029677365 748041029 /nfs/dbraw/zinc/04/10/29/748041029.db2.gz KXZRACYBIIIJEI-KGLIPLIRSA-N 1 2 333.440 0.913 20 30 ECEDLO CCCCn1nnnc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC001029677365 748041037 /nfs/dbraw/zinc/04/10/37/748041037.db2.gz KXZRACYBIIIJEI-KGLIPLIRSA-N 1 2 333.440 0.913 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)COC(C)C)C2)nn1 ZINC001098630059 748056072 /nfs/dbraw/zinc/05/60/72/748056072.db2.gz OMIZJZHVUMIFLS-INIZCTEOSA-N 1 2 349.435 0.216 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1)C(=O)c1cc(C#N)c[nH]1 ZINC001003064991 748134351 /nfs/dbraw/zinc/13/43/51/748134351.db2.gz QEWWDDCLPSWBIH-AWEZNQCLSA-N 1 2 340.387 0.915 20 30 ECEDLO CCCn1nnnc1C[N@H+](C)C[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001029734391 748177429 /nfs/dbraw/zinc/17/74/29/748177429.db2.gz WPRQAOCMISDMRO-OAHLLOKOSA-N 1 2 330.436 0.777 20 30 ECEDLO CCCn1nnnc1C[N@@H+](C)C[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001029734391 748177431 /nfs/dbraw/zinc/17/74/31/748177431.db2.gz WPRQAOCMISDMRO-OAHLLOKOSA-N 1 2 330.436 0.777 20 30 ECEDLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC ZINC001212166115 761904766 /nfs/dbraw/zinc/90/47/66/761904766.db2.gz SNCVGQWRUIATGD-HUUCEWRRSA-N 1 2 348.378 0.149 20 30 ECEDLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1OC ZINC001212166115 761904767 /nfs/dbraw/zinc/90/47/67/761904767.db2.gz SNCVGQWRUIATGD-HUUCEWRRSA-N 1 2 348.378 0.149 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3nncn3C)C2)nn1 ZINC001029859692 748952350 /nfs/dbraw/zinc/95/23/50/748952350.db2.gz HIEMCDUWPPGOPD-CYBMUJFWSA-N 1 2 344.423 0.187 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H](C[N@H+](C)Cc3nncn3C)C2)nn1 ZINC001029859692 748952359 /nfs/dbraw/zinc/95/23/59/748952359.db2.gz HIEMCDUWPPGOPD-CYBMUJFWSA-N 1 2 344.423 0.187 20 30 ECEDLO C=CCOCC(=O)N[C@H](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001051335671 761909257 /nfs/dbraw/zinc/90/92/57/761909257.db2.gz SNPSJQFDJXPMGY-CABCVRRESA-N 1 2 348.447 0.909 20 30 ECEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)CC1 ZINC001003962404 749086695 /nfs/dbraw/zinc/08/66/95/749086695.db2.gz SJAPFEHREZTFSE-UHFFFAOYSA-N 1 2 342.783 0.843 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001059645947 749092117 /nfs/dbraw/zinc/09/21/17/749092117.db2.gz KFEVVVKNIMHTDY-GJZGRUSLSA-N 1 2 346.431 0.356 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001059648407 749114642 /nfs/dbraw/zinc/11/46/42/749114642.db2.gz RLSKTVHJCMSSJL-GJZGRUSLSA-N 1 2 346.431 0.735 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001059648407 749114649 /nfs/dbraw/zinc/11/46/49/749114649.db2.gz RLSKTVHJCMSSJL-GJZGRUSLSA-N 1 2 346.431 0.735 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccns3)CC2)CC1 ZINC000985828027 749188416 /nfs/dbraw/zinc/18/84/16/749188416.db2.gz FBTGQBAVRKGDCG-UHFFFAOYSA-N 1 2 349.460 0.825 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[C@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC001013929822 761927908 /nfs/dbraw/zinc/92/79/08/761927908.db2.gz UVSCTYCUKIFJFM-NWDGAFQWSA-N 1 2 343.391 0.149 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC001013931877 761932206 /nfs/dbraw/zinc/93/22/06/761932206.db2.gz DXXHOSFETPAEEZ-DOMZBBRYSA-N 1 2 337.383 0.748 20 30 ECEDLO C[C@@H]1[C@H]([NH2+]Cc2nc(N(C)C)no2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000986176758 749634047 /nfs/dbraw/zinc/63/40/47/749634047.db2.gz PLINBWAGGLYFPH-ZWNOBZJWSA-N 1 2 343.391 0.728 20 30 ECEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCn2cnccc2=O)CC1 ZINC001004592074 749663431 /nfs/dbraw/zinc/66/34/31/749663431.db2.gz KTHSEVXZARONPE-INIZCTEOSA-N 1 2 343.431 0.860 20 30 ECEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCn2cnccc2=O)CC1 ZINC001004592074 749663433 /nfs/dbraw/zinc/66/34/33/749663433.db2.gz KTHSEVXZARONPE-INIZCTEOSA-N 1 2 343.431 0.860 20 30 ECEDLO C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CCN(c2nccnc2C#N)CC1 ZINC001126639443 749711215 /nfs/dbraw/zinc/71/12/15/749711215.db2.gz OSDFWCADMILMJJ-CYBMUJFWSA-N 1 2 339.403 0.966 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3cnc(C)cn3)CC2)C1=O ZINC000980652561 749922118 /nfs/dbraw/zinc/92/21/18/749922118.db2.gz IDWMIOSQCRVKBL-MRXNPFEDSA-N 1 2 343.431 0.720 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3cnc(C)cn3)CC2)C1=O ZINC000980652561 749922126 /nfs/dbraw/zinc/92/21/26/749922126.db2.gz IDWMIOSQCRVKBL-MRXNPFEDSA-N 1 2 343.431 0.720 20 30 ECEDLO CN(CCN(C)c1ccc(C#N)nn1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001105432167 750056375 /nfs/dbraw/zinc/05/63/75/750056375.db2.gz HERLJSCJWXZCCW-UHFFFAOYSA-N 1 2 327.392 0.944 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3cc(C)n[nH]3)CC2)C1=O ZINC000980772516 750132200 /nfs/dbraw/zinc/13/22/00/750132200.db2.gz NESUPBZEVXFTKL-OAHLLOKOSA-N 1 2 331.420 0.653 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3cc(C)n[nH]3)CC2)C1=O ZINC000980772516 750132203 /nfs/dbraw/zinc/13/22/03/750132203.db2.gz NESUPBZEVXFTKL-OAHLLOKOSA-N 1 2 331.420 0.653 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3cc(C)[nH]n3)CC2)C1=O ZINC000980772516 750132206 /nfs/dbraw/zinc/13/22/06/750132206.db2.gz NESUPBZEVXFTKL-OAHLLOKOSA-N 1 2 331.420 0.653 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3cc(C)[nH]n3)CC2)C1=O ZINC000980772516 750132210 /nfs/dbraw/zinc/13/22/10/750132210.db2.gz NESUPBZEVXFTKL-OAHLLOKOSA-N 1 2 331.420 0.653 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@H]2C1 ZINC000986593690 750164156 /nfs/dbraw/zinc/16/41/56/750164156.db2.gz JFTLFLICUIROOB-KFWWJZLASA-N 1 2 343.431 0.819 20 30 ECEDLO C[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001005058672 750190188 /nfs/dbraw/zinc/19/01/88/750190188.db2.gz VZPCXSKVYCXJTO-XJKSGUPXSA-N 1 2 328.416 0.729 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3cn(C)nc3C)CC2)C1=O ZINC000980850082 750260093 /nfs/dbraw/zinc/26/00/93/750260093.db2.gz PQLAEKJMZJILDE-MRXNPFEDSA-N 1 2 345.447 0.663 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3cn(C)nc3C)CC2)C1=O ZINC000980850082 750260095 /nfs/dbraw/zinc/26/00/95/750260095.db2.gz PQLAEKJMZJILDE-MRXNPFEDSA-N 1 2 345.447 0.663 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001051415685 762022567 /nfs/dbraw/zinc/02/25/67/762022567.db2.gz CINXXEFXHNFJQG-UONOGXRCSA-N 1 2 332.404 0.345 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@]3(C)CCCOC3)C2)nn1 ZINC001105351702 750464248 /nfs/dbraw/zinc/46/42/48/750464248.db2.gz GUZGEVFDUIANDA-QGZVFWFLSA-N 1 2 331.420 0.591 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nc(C)no3)[C@@H]2C)nn1 ZINC000987133945 750529419 /nfs/dbraw/zinc/52/94/19/750529419.db2.gz MGMTVTZHJNFKKF-CMPLNLGQSA-N 1 2 331.380 0.548 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3cnsn3)[C@H]2C)nn1 ZINC000987137818 750534039 /nfs/dbraw/zinc/53/40/39/750534039.db2.gz ZPTDUOFVOQENSK-ZYHUDNBSSA-N 1 2 333.421 0.708 20 30 ECEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001005905776 750783748 /nfs/dbraw/zinc/78/37/48/750783748.db2.gz KAQWPLHSCYHRGM-LLVKDONJSA-N 1 2 345.241 0.499 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ncoc3C(C)(C)C)C2)nn1 ZINC001105357327 750892409 /nfs/dbraw/zinc/89/24/09/750892409.db2.gz AEPFYIMNIGBPOU-UHFFFAOYSA-N 1 2 342.403 0.984 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001006016150 750926499 /nfs/dbraw/zinc/92/64/99/750926499.db2.gz LNRZJRUNDJXVRI-CVEARBPZSA-N 1 2 333.436 0.829 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1C ZINC000987533100 750946523 /nfs/dbraw/zinc/94/65/23/750946523.db2.gz RRJHOWLRPVSYAR-YPMHNXCESA-N 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/nfs/dbraw/zinc/94/47/69/753944769.db2.gz NSTOJAUSPYLDHK-VXGBXAGGSA-N 1 2 325.376 0.770 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H]2C)c1 ZINC000989494896 754031086 /nfs/dbraw/zinc/03/10/86/754031086.db2.gz IAZKBNZWVODSNE-DOMZBBRYSA-N 1 2 337.383 0.748 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3nc(CC)no3)C[C@@H]2C)nn1 ZINC000989537118 754081567 /nfs/dbraw/zinc/08/15/67/754081567.db2.gz RPFKTLPBNUETTC-NWDGAFQWSA-N 1 2 345.407 0.802 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@@H+]([C@H](C)C(=O)NC)C2)nn1 ZINC001008824086 754161483 /nfs/dbraw/zinc/16/14/83/754161483.db2.gz KEJPYMAXXASTPB-CHWSQXEVSA-N 1 2 334.424 0.183 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)C(=O)NC)C2)nn1 ZINC001008824086 754161488 /nfs/dbraw/zinc/16/14/88/754161488.db2.gz KEJPYMAXXASTPB-CHWSQXEVSA-N 1 2 334.424 0.183 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)c1 ZINC000983034521 754478585 /nfs/dbraw/zinc/47/85/85/754478585.db2.gz WEGBGLOHRPCJAO-CYBMUJFWSA-N 1 2 340.387 0.751 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001009126757 754557938 /nfs/dbraw/zinc/55/79/38/754557938.db2.gz WKKLJRSZDMJJHI-OLZOCXBDSA-N 1 2 332.404 0.714 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001009126757 754557943 /nfs/dbraw/zinc/55/79/43/754557943.db2.gz WKKLJRSZDMJJHI-OLZOCXBDSA-N 1 2 332.404 0.714 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](Nc2ccnc(C#N)n2)C1 ZINC001059087903 754595485 /nfs/dbraw/zinc/59/54/85/754595485.db2.gz FKMDPPSDSUEIOK-NEPJUHHUSA-N 1 2 325.376 0.385 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](Nc2ccnc(C#N)n2)C1 ZINC001059087903 754595493 /nfs/dbraw/zinc/59/54/93/754595493.db2.gz FKMDPPSDSUEIOK-NEPJUHHUSA-N 1 2 325.376 0.385 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@@H]1O ZINC001083470385 755282422 /nfs/dbraw/zinc/28/24/22/755282422.db2.gz OQLOMSZRIJKYDI-WCVJEAGWSA-N 1 2 334.420 0.063 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@H](CNc2cnc(C#N)cn2)C1 ZINC001060040835 755318986 /nfs/dbraw/zinc/31/89/86/755318986.db2.gz HMOCHMMAAFACKI-CYBMUJFWSA-N 1 2 339.403 0.975 20 30 ECEDLO C#CCNC(=O)CC(=O)N[C@@H]1CCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001105662699 755394800 /nfs/dbraw/zinc/39/48/00/755394800.db2.gz DRYNJRWOXZOGBS-ZIAGYGMSSA-N 1 2 329.404 0.621 20 30 ECEDLO C#CCC[N@H+]1CC[C@@H](CNC(=O)c2cn[nH]c2-c2cnn(C)c2)C1 ZINC001028920457 755479005 /nfs/dbraw/zinc/47/90/05/755479005.db2.gz XNGSNQIVTHBZRI-ZDUSSCGKSA-N 1 2 326.404 0.885 20 30 ECEDLO C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2cn[nH]c2-c2cnn(C)c2)C1 ZINC001028920457 755479008 /nfs/dbraw/zinc/47/90/08/755479008.db2.gz XNGSNQIVTHBZRI-ZDUSSCGKSA-N 1 2 326.404 0.885 20 30 ECEDLO CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ncn[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001105668365 755642736 /nfs/dbraw/zinc/64/27/36/755642736.db2.gz WMJBTAPIWPPQHH-KJWYOANISA-N 1 2 345.447 0.337 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3COCCO3)C2)cc1F ZINC001010251042 755884010 /nfs/dbraw/zinc/88/40/10/755884010.db2.gz GRILYWDENXRYFJ-ZBFHGGJFSA-N 1 2 333.363 0.803 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3COCCO3)C2)cc1F ZINC001010251042 755884017 /nfs/dbraw/zinc/88/40/17/755884017.db2.gz GRILYWDENXRYFJ-ZBFHGGJFSA-N 1 2 333.363 0.803 20 30 ECEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1COCCO1 ZINC001010259402 755897526 /nfs/dbraw/zinc/89/75/26/755897526.db2.gz VDNZSDSAGSVOTF-DLBZAZTESA-N 1 2 332.375 0.783 20 30 ECEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1COCCO1 ZINC001010259402 755897531 /nfs/dbraw/zinc/89/75/31/755897531.db2.gz VDNZSDSAGSVOTF-DLBZAZTESA-N 1 2 332.375 0.783 20 30 ECEDLO N#Cc1cncc(NC[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)n1 ZINC001060093929 756013343 /nfs/dbraw/zinc/01/33/43/756013343.db2.gz RYMLEWPWLMGROZ-GFCCVEGCSA-N 1 2 325.376 0.965 20 30 ECEDLO C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)CCc1c[nH+]cn1C ZINC001076070908 756056350 /nfs/dbraw/zinc/05/63/50/756056350.db2.gz DGGZWHSHBJOUGQ-LBPRGKRZSA-N 1 2 342.403 0.877 20 30 ECEDLO C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001010456852 756151144 /nfs/dbraw/zinc/15/11/44/756151144.db2.gz JARXTAAVVPXOSC-ZFWWWQNUSA-N 1 2 343.431 0.949 20 30 ECEDLO C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001010456852 756151145 /nfs/dbraw/zinc/15/11/45/756151145.db2.gz JARXTAAVVPXOSC-ZFWWWQNUSA-N 1 2 343.431 0.949 20 30 ECEDLO CN1CCOC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010690902 756404015 /nfs/dbraw/zinc/40/40/15/756404015.db2.gz KUAYUBSJTWYCQU-MSOLQXFVSA-N 1 2 345.418 0.698 20 30 ECEDLO CN1CCOC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010690902 756404018 /nfs/dbraw/zinc/40/40/18/756404018.db2.gz KUAYUBSJTWYCQU-MSOLQXFVSA-N 1 2 345.418 0.698 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010695041 756408918 /nfs/dbraw/zinc/40/89/18/756408918.db2.gz PSCLHODIAVMQFS-NVXWUHKLSA-N 1 2 346.406 0.718 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010695041 756408923 /nfs/dbraw/zinc/40/89/23/756408923.db2.gz PSCLHODIAVMQFS-NVXWUHKLSA-N 1 2 346.406 0.718 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001010739242 756467215 /nfs/dbraw/zinc/46/72/15/756467215.db2.gz FUWHETZBFKLLQQ-CYBMUJFWSA-N 1 2 329.404 0.573 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)[C@@H]2C1 ZINC001076458603 756546790 /nfs/dbraw/zinc/54/67/90/756546790.db2.gz CMHSDBYVLZQAGO-CMPLNLGQSA-N 1 2 348.794 0.316 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)[C@@H]2C1 ZINC001076458603 756546795 /nfs/dbraw/zinc/54/67/95/756546795.db2.gz CMHSDBYVLZQAGO-CMPLNLGQSA-N 1 2 348.794 0.316 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001076508940 756581168 /nfs/dbraw/zinc/58/11/68/756581168.db2.gz JSDJQUAWKPGASQ-UONOGXRCSA-N 1 2 334.420 0.402 20 30 ECEDLO Cn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)nn1 ZINC001010850570 756600081 /nfs/dbraw/zinc/60/00/81/756600081.db2.gz KABXEDYTGRVTRX-CYBMUJFWSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)nn1 ZINC001010850570 756600084 /nfs/dbraw/zinc/60/00/84/756600084.db2.gz KABXEDYTGRVTRX-CYBMUJFWSA-N 1 2 328.351 0.830 20 30 ECEDLO N#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)[nH]1 ZINC000990891965 756709474 /nfs/dbraw/zinc/70/94/74/756709474.db2.gz HOQPPIBQYLAONR-NSHDSACASA-N 1 2 338.371 0.286 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C3CCC(O)CC3)C2)nn1 ZINC001098665072 756755810 /nfs/dbraw/zinc/75/58/10/756755810.db2.gz SZYUTNFFDFZXBJ-SIWZUTFBSA-N 1 2 331.420 0.325 20 30 ECEDLO COC1CC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]2O)C1 ZINC001083551590 756767615 /nfs/dbraw/zinc/76/76/15/756767615.db2.gz SNHZZDMIUSXKCF-MMADZMRASA-N 1 2 347.390 0.784 20 30 ECEDLO COC1CC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]2O)C1 ZINC001083551590 756767619 /nfs/dbraw/zinc/76/76/19/756767619.db2.gz SNHZZDMIUSXKCF-MMADZMRASA-N 1 2 347.390 0.784 20 30 ECEDLO O=C(C#CC1CC1)N1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001011109459 756939278 /nfs/dbraw/zinc/93/92/78/756939278.db2.gz GJJNLAWTDKOJJE-UHFFFAOYSA-N 1 2 349.394 0.965 20 30 ECEDLO C[NH+](C)[C@@H](C(=O)N1CCN(C(=O)C#CC2CC2)CC1)c1cccnc1 ZINC001011111872 756942639 /nfs/dbraw/zinc/94/26/39/756942639.db2.gz WXFBHYBBHJJCNB-GOSISDBHSA-N 1 2 340.427 0.769 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)C3CC=CC3)nn2)C1 ZINC001107146078 757037252 /nfs/dbraw/zinc/03/72/52/757037252.db2.gz UTURAFBUOHYXSR-UHFFFAOYSA-N 1 2 331.420 0.920 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC/C=C\CNc1[nH+]cnc2c1cnn2C ZINC001107148577 757082703 /nfs/dbraw/zinc/08/27/03/757082703.db2.gz MJPWTFVHAJWMBS-KJPDOMRESA-N 1 2 330.392 0.775 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC(C)(C)C)C1 ZINC001048832603 757137304 /nfs/dbraw/zinc/13/73/04/757137304.db2.gz PJQLEIKXBOJUFI-GJZGRUSLSA-N 1 2 346.431 0.340 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nnnn3C)C[C@@H]2C1 ZINC001048841381 757151380 /nfs/dbraw/zinc/15/13/80/757151380.db2.gz SXTZKXSQKNSRCL-TXEJJXNPSA-N 1 2 338.843 0.879 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnnn3C)C[C@@H]2C1 ZINC001048841381 757151383 /nfs/dbraw/zinc/15/13/83/757151383.db2.gz SXTZKXSQKNSRCL-TXEJJXNPSA-N 1 2 338.843 0.879 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H](C)n3cncn3)nn2)C1 ZINC001107158846 757162606 /nfs/dbraw/zinc/16/26/06/757162606.db2.gz BOQOKQKKQUARTG-LBPRGKRZSA-N 1 2 330.396 0.180 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001011194002 757170750 /nfs/dbraw/zinc/17/07/50/757170750.db2.gz GFBQBGSNXZUFCV-BMFZPTHFSA-N 1 2 346.431 0.850 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001011194002 757170753 /nfs/dbraw/zinc/17/07/53/757170753.db2.gz GFBQBGSNXZUFCV-BMFZPTHFSA-N 1 2 346.431 0.850 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCNC(=O)[C@H]3C[C@@H]3C)nn2)C1 ZINC001107176975 757258600 /nfs/dbraw/zinc/25/86/00/757258600.db2.gz VVTDNSCLCQMZBX-WFASDCNBSA-N 1 2 346.435 0.099 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCOC3)C2)cc1F ZINC001076824067 757275881 /nfs/dbraw/zinc/27/58/81/757275881.db2.gz VHJONSRVMCKBPA-IAOVAPTHSA-N 1 2 347.390 0.785 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCOC3)C2)cc1F ZINC001076824067 757275889 /nfs/dbraw/zinc/27/58/89/757275889.db2.gz VHJONSRVMCKBPA-IAOVAPTHSA-N 1 2 347.390 0.785 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCCn3ccnn3)nn2)C1 ZINC001107178360 757335542 /nfs/dbraw/zinc/33/55/42/757335542.db2.gz ULDBMOVFFUQELU-UHFFFAOYSA-N 1 2 330.396 0.009 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)c1cc[nH]c(=O)c1 ZINC001076872601 757428598 /nfs/dbraw/zinc/42/85/98/757428598.db2.gz IGRMDCBYABKZPP-IAGOWNOFSA-N 1 2 337.379 0.614 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)c1cc[nH]c(=O)c1 ZINC001076872601 757428605 /nfs/dbraw/zinc/42/86/05/757428605.db2.gz IGRMDCBYABKZPP-IAGOWNOFSA-N 1 2 337.379 0.614 20 30 ECEDLO C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1O ZINC001048937258 757462593 /nfs/dbraw/zinc/46/25/93/757462593.db2.gz CDGKPUUIDWOWNJ-GJZGRUSLSA-N 1 2 334.420 0.729 20 30 ECEDLO C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1O ZINC001048937258 757462599 /nfs/dbraw/zinc/46/25/99/757462599.db2.gz CDGKPUUIDWOWNJ-GJZGRUSLSA-N 1 2 334.420 0.729 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3nnc(C)o3)C(C)(C)C2)nn1 ZINC000996388680 757517936 /nfs/dbraw/zinc/51/79/36/757517936.db2.gz KQEBBLWNALYUFP-CYBMUJFWSA-N 1 2 345.407 0.796 20 30 ECEDLO C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O)n1cncn1 ZINC001076904727 757553016 /nfs/dbraw/zinc/55/30/16/757553016.db2.gz QWYGGPZKHMVOSE-ZLKJLUDKSA-N 1 2 346.416 0.134 20 30 ECEDLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O)n1cncn1 ZINC001076904727 757553025 /nfs/dbraw/zinc/55/30/25/757553025.db2.gz QWYGGPZKHMVOSE-ZLKJLUDKSA-N 1 2 346.416 0.134 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)cnn1 ZINC001076930203 757633033 /nfs/dbraw/zinc/63/30/33/757633033.db2.gz UGDNRTOUNQQJJK-IAGOWNOFSA-N 1 2 337.383 0.632 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)cnn1 ZINC001076930203 757633035 /nfs/dbraw/zinc/63/30/35/757633035.db2.gz UGDNRTOUNQQJJK-IAGOWNOFSA-N 1 2 337.383 0.632 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)[C@@H]3CCCO3)nn2)C1 ZINC001107208316 757677802 /nfs/dbraw/zinc/67/78/02/757677802.db2.gz YMNUXFVLFLZCBO-BBRMVZONSA-N 1 2 331.420 0.589 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001049034132 757748711 /nfs/dbraw/zinc/74/87/11/757748711.db2.gz DOKIDFQJKRWTCO-ILXRZTDVSA-N 1 2 334.420 0.516 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)COC3CCOCC3)nn2)C1 ZINC001107215347 757792747 /nfs/dbraw/zinc/79/27/47/757792747.db2.gz DIFGFIJDWYUJPM-UHFFFAOYSA-N 1 2 349.435 0.523 20 30 ECEDLO Cn1ccc(CC(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)n1 ZINC001076981959 757801681 /nfs/dbraw/zinc/80/16/81/757801681.db2.gz YIAPOQKNGMVKPU-QZTJIDSGSA-N 1 2 338.411 0.176 20 30 ECEDLO Cn1ccc(CC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)n1 ZINC001076981959 757801692 /nfs/dbraw/zinc/80/16/92/757801692.db2.gz YIAPOQKNGMVKPU-QZTJIDSGSA-N 1 2 338.411 0.176 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C(=O)N3CCC[C@@H]3CC)nn2)C1 ZINC001107227047 757886436 /nfs/dbraw/zinc/88/64/36/757886436.db2.gz BQGHYWREIHJAFJ-AWEZNQCLSA-N 1 2 346.435 0.338 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C[C@H](C)[C@H]3CCCO3)nn2)C1 ZINC001107232159 757950526 /nfs/dbraw/zinc/95/05/26/757950526.db2.gz VKOOYJXGEJSVFF-WMLDXEAASA-N 1 2 345.447 0.980 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1O)c1cc[nH]c1 ZINC001077041356 758024770 /nfs/dbraw/zinc/02/47/70/758024770.db2.gz LOKJSQHMPYLMSM-IAGOWNOFSA-N 1 2 327.359 0.980 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1O)c1cc[nH]c1 ZINC001077041356 758024778 /nfs/dbraw/zinc/02/47/78/758024778.db2.gz LOKJSQHMPYLMSM-IAGOWNOFSA-N 1 2 327.359 0.980 20 30 ECEDLO C=CCCOCC(=O)NCC[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001077062883 758069114 /nfs/dbraw/zinc/06/91/14/758069114.db2.gz OLAOFRXEQHHNHS-AWEZNQCLSA-N 1 2 336.436 0.956 20 30 ECEDLO Cc1cc(C#N)nc(NC/C=C\CNC(=O)Cc2c[nH+]cn2C)n1 ZINC001107262705 758091956 /nfs/dbraw/zinc/09/19/56/758091956.db2.gz FTWIJNVTFDLALH-ARJAWSKDSA-N 1 2 325.376 0.717 20 30 ECEDLO C[C@@H](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)NC(=O)C#CC1CC1 ZINC001077116219 758225994 /nfs/dbraw/zinc/22/59/94/758225994.db2.gz KWBMPQQCCDLQSN-DZGCQCFKSA-N 1 2 328.416 0.870 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001077116690 758230940 /nfs/dbraw/zinc/23/09/40/758230940.db2.gz WGVAJQIMNQZKLM-LSDHHAIUSA-N 1 2 346.431 0.496 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC001049193294 758265027 /nfs/dbraw/zinc/26/50/27/758265027.db2.gz LEOIOWPVFAKCQM-HOTGVXAUSA-N 1 2 346.431 0.042 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCc1c[nH]cn1 ZINC001077125265 758290514 /nfs/dbraw/zinc/29/05/14/758290514.db2.gz QQQGJIUVFOLYEP-HOCLYGCPSA-N 1 2 345.447 0.451 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCc1c[nH]cn1 ZINC001077125265 758290525 /nfs/dbraw/zinc/29/05/25/758290525.db2.gz QQQGJIUVFOLYEP-HOCLYGCPSA-N 1 2 345.447 0.451 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1O ZINC001077138594 758294852 /nfs/dbraw/zinc/29/48/52/758294852.db2.gz KIDFWIBFCJMYRM-XNRPHZJLSA-N 1 2 346.431 0.116 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1O ZINC001077138594 758294862 /nfs/dbraw/zinc/29/48/62/758294862.db2.gz KIDFWIBFCJMYRM-XNRPHZJLSA-N 1 2 346.431 0.116 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1O ZINC001077133649 758302906 /nfs/dbraw/zinc/30/29/06/758302906.db2.gz UWHVCQWEYXGMLC-GDBMZVCRSA-N 1 2 329.404 0.383 20 30 ECEDLO N#Cc1ccc(NC/C=C/CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)nn1 ZINC001107393273 758448622 /nfs/dbraw/zinc/44/86/22/758448622.db2.gz BKBACEPAEMOBSR-ZIYVKSGCSA-N 1 2 337.387 0.892 20 30 ECEDLO N#Cc1ccc(NC/C=C/CNC(=O)[C@H]2CCc3[nH+]ccn3C2)nn1 ZINC001107393382 758450174 /nfs/dbraw/zinc/45/01/74/758450174.db2.gz CAIBZQSZZSWWNR-AORQRIRUSA-N 1 2 337.387 0.892 20 30 ECEDLO CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O ZINC001049316265 758506313 /nfs/dbraw/zinc/50/63/13/758506313.db2.gz JOIULJJNEVOACB-STQMWFEESA-N 1 2 332.404 0.032 20 30 ECEDLO C=CCCCC(=O)N(C)[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1O ZINC001049360841 758566524 /nfs/dbraw/zinc/56/65/24/758566524.db2.gz LEVNEHRGRYTYSN-GJZGRUSLSA-N 1 2 334.420 0.660 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(F)CCCC3)C2)C1=O ZINC001077270294 758649344 /nfs/dbraw/zinc/64/93/44/758649344.db2.gz PRRREGNRBNMDAU-MGPQQGTHSA-N 1 2 339.411 0.217 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3(F)CCCC3)C2)C1=O ZINC001077270294 758649351 /nfs/dbraw/zinc/64/93/51/758649351.db2.gz PRRREGNRBNMDAU-MGPQQGTHSA-N 1 2 339.411 0.217 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001011929856 758978286 /nfs/dbraw/zinc/97/82/86/758978286.db2.gz JFRMUCBBOIXNEL-GXTWGEPZSA-N 1 2 340.387 0.892 20 30 ECEDLO C#CCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)CCC1 ZINC001049632415 759022560 /nfs/dbraw/zinc/02/25/60/759022560.db2.gz YLJCVPKFYIYMDW-GJZGRUSLSA-N 1 2 344.415 0.176 20 30 ECEDLO C=C(Cl)CN1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@@H](O)C1 ZINC001083583692 759094666 /nfs/dbraw/zinc/09/46/66/759094666.db2.gz NZSYPNZSUKTCLV-DFBGVHRSSA-N 1 2 338.839 0.737 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)nc1 ZINC001022841240 759162591 /nfs/dbraw/zinc/16/25/91/759162591.db2.gz ILFPNDYZIRIUCU-WMLDXEAASA-N 1 2 349.394 0.702 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2NC/C=C\CNC(=O)CSCC#N ZINC001107049572 759541855 /nfs/dbraw/zinc/54/18/55/759541855.db2.gz TTYCENMERFXENY-IHWYPQMZSA-N 1 2 331.405 0.704 20 30 ECEDLO C#CCCCC(=O)N1CCC(OC2C[NH+](CCn3cncn3)C2)CC1 ZINC001105704565 759542206 /nfs/dbraw/zinc/54/22/06/759542206.db2.gz ZHMOCEGJFIHALU-UHFFFAOYSA-N 1 2 345.447 0.773 20 30 ECEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)c3ncn(C)n3)CC2)C1 ZINC001105705683 759548083 /nfs/dbraw/zinc/54/80/83/759548083.db2.gz JXYDKBHYPKREQE-UHFFFAOYSA-N 1 2 349.435 0.323 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2NC/C=C/CNC(=O)c1cc(C#N)c[nH]1 ZINC001107096226 759912815 /nfs/dbraw/zinc/91/28/15/759912815.db2.gz HZYJHKYEKRWDPM-NSCUHMNNSA-N 1 2 336.359 0.961 20 30 ECEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001032222719 759931038 /nfs/dbraw/zinc/93/10/38/759931038.db2.gz JVNIOJHNIPSALB-UHFFFAOYSA-N 1 2 349.394 0.914 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001012444337 760012664 /nfs/dbraw/zinc/01/26/64/760012664.db2.gz BAUKHCISLRBMDE-CMPLNLGQSA-N 1 2 326.360 0.571 20 30 ECEDLO C#CCOCCC(=O)NCC[NH2+]Cc1nnc(C(F)(F)F)s1 ZINC001127031943 760033713 /nfs/dbraw/zinc/03/37/13/760033713.db2.gz LXHZKKDPGDQNMX-UHFFFAOYSA-N 1 2 336.339 0.803 20 30 ECEDLO COCCc1noc(C[NH+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)CC2)n1 ZINC001050463691 760308021 /nfs/dbraw/zinc/30/80/21/760308021.db2.gz XPPXVRFWGOXQGT-ZDUSSCGKSA-N 1 2 347.419 0.843 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCCOC2)C1=O ZINC001017408621 767943852 /nfs/dbraw/zinc/94/38/52/767943852.db2.gz QTMCZZKOYNZPQH-MWDXBVQZSA-N 1 2 347.459 0.875 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCCOC2)C1=O ZINC001017408621 767943861 /nfs/dbraw/zinc/94/38/61/767943861.db2.gz QTMCZZKOYNZPQH-MWDXBVQZSA-N 1 2 347.459 0.875 20 30 ECEDLO COc1nc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)co1 ZINC001083673431 760961368 /nfs/dbraw/zinc/96/13/68/760961368.db2.gz CLLWNYASDCECHP-HIFRSBDPSA-N 1 2 342.355 0.530 20 30 ECEDLO COc1nc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)co1 ZINC001083673431 760961374 /nfs/dbraw/zinc/96/13/74/760961374.db2.gz CLLWNYASDCECHP-HIFRSBDPSA-N 1 2 342.355 0.530 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1c1cnc(C#N)cn1 ZINC001048759632 761126430 /nfs/dbraw/zinc/12/64/30/761126430.db2.gz LQBCFHZREKEEMH-LSDHHAIUSA-N 1 2 339.403 0.798 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCCCC)C[C@H]1OC ZINC001212145879 761199891 /nfs/dbraw/zinc/19/98/91/761199891.db2.gz BYFFQGZMZDTVMC-HZPDHXFCSA-N 1 2 337.464 0.912 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](CC(=O)NCCCC)C[C@H]1OC ZINC001212145879 761199895 /nfs/dbraw/zinc/19/98/95/761199895.db2.gz BYFFQGZMZDTVMC-HZPDHXFCSA-N 1 2 337.464 0.912 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnc2n[nH]nc2c1 ZINC001050954583 761214899 /nfs/dbraw/zinc/21/48/99/761214899.db2.gz ADTULUGVIBTZNF-CYBMUJFWSA-N 1 2 330.392 0.750 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cnc2n[nH]nc2c1 ZINC001050954583 761214905 /nfs/dbraw/zinc/21/49/05/761214905.db2.gz ADTULUGVIBTZNF-CYBMUJFWSA-N 1 2 330.392 0.750 20 30 ECEDLO N#Cc1nccc(NC[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)n1 ZINC001060257626 761221358 /nfs/dbraw/zinc/22/13/58/761221358.db2.gz MBCFQKBLCAGRRQ-ZDUSSCGKSA-N 1 2 325.376 0.460 20 30 ECEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)c3cn[nH]n3)CC2)C1 ZINC001105714284 761249283 /nfs/dbraw/zinc/24/92/83/761249283.db2.gz SCTBYBYUJSPMMW-UHFFFAOYSA-N 1 2 335.408 0.313 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001051006466 761324074 /nfs/dbraw/zinc/32/40/74/761324074.db2.gz QUOCHRUMHGJNQV-ZDUSSCGKSA-N 1 2 346.387 0.419 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001051006466 761324083 /nfs/dbraw/zinc/32/40/83/761324083.db2.gz QUOCHRUMHGJNQV-ZDUSSCGKSA-N 1 2 346.387 0.419 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)CCn1cc[nH+]c1 ZINC001013407954 761375673 /nfs/dbraw/zinc/37/56/73/761375673.db2.gz RUDJGXZOGYVACC-GXTWGEPZSA-N 1 2 340.387 0.892 20 30 ECEDLO COc1ccc(C#N)cc1CN1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001031145926 768034001 /nfs/dbraw/zinc/03/40/01/768034001.db2.gz YZXQABOLLPYEOJ-UHFFFAOYSA-N 1 2 325.372 0.833 20 30 ECEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)CS(=O)(=O)CC)CC2)C1 ZINC001105734367 761410827 /nfs/dbraw/zinc/41/08/27/761410827.db2.gz NYGQZLOGUMGJND-UHFFFAOYSA-N 1 2 344.477 0.689 20 30 ECEDLO C=CCCO[C@H](C)C(=O)NC[C@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001105737553 761426665 /nfs/dbraw/zinc/42/66/65/761426665.db2.gz HOLDKWWLDCNWPL-VXGBXAGGSA-N 1 2 348.407 0.234 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@H]2C)cn1 ZINC001013471751 761460320 /nfs/dbraw/zinc/46/03/20/761460320.db2.gz WGQPOUOWOSVORX-WBMJQRKESA-N 1 2 337.383 0.748 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C[C@@H]1C ZINC001013494163 761486816 /nfs/dbraw/zinc/48/68/16/761486816.db2.gz ZLCUHBFNUVRNND-IINYFYTJSA-N 1 2 340.387 0.880 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC001051155397 761577418 /nfs/dbraw/zinc/57/74/18/761577418.db2.gz FXAPGWLLMFMAAW-HOTGVXAUSA-N 1 2 335.448 0.781 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC001051155397 761577424 /nfs/dbraw/zinc/57/74/24/761577424.db2.gz FXAPGWLLMFMAAW-HOTGVXAUSA-N 1 2 335.448 0.781 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2C[C@H](CC)OC)nc1 ZINC001051213623 761702198 /nfs/dbraw/zinc/70/21/98/761702198.db2.gz BUUNEQAMRWMRQL-HOTGVXAUSA-N 1 2 331.416 0.919 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2C[C@H](CC)OC)nc1 ZINC001051213623 761702203 /nfs/dbraw/zinc/70/22/03/761702203.db2.gz BUUNEQAMRWMRQL-HOTGVXAUSA-N 1 2 331.416 0.919 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NCc2cccc3c2CC[N@@H+](CC(N)=O)C3)c1 ZINC001051284665 761825476 /nfs/dbraw/zinc/82/54/76/761825476.db2.gz AIQMQEYRZWFKAT-UHFFFAOYSA-N 1 2 337.383 0.660 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NCc2cccc3c2CC[N@H+](CC(N)=O)C3)c1 ZINC001051284665 761825484 /nfs/dbraw/zinc/82/54/84/761825484.db2.gz AIQMQEYRZWFKAT-UHFFFAOYSA-N 1 2 337.383 0.660 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1cccc2c1CC[N@@H+](CC(N)=O)C2 ZINC001051300736 761850785 /nfs/dbraw/zinc/85/07/85/761850785.db2.gz OIUSSZBZJQRHCR-SJORKVTESA-N 1 2 343.427 0.737 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1cccc2c1CC[N@H+](CC(N)=O)C2 ZINC001051300736 761850798 /nfs/dbraw/zinc/85/07/98/761850798.db2.gz OIUSSZBZJQRHCR-SJORKVTESA-N 1 2 343.427 0.737 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(c3cc[nH+]c(C)n3)C[C@@H]2O)nc1 ZINC001051713671 762771027 /nfs/dbraw/zinc/77/10/27/762771027.db2.gz UJBNXFWPPGDPQA-ZBFHGGJFSA-N 1 2 337.383 0.531 20 30 ECEDLO C=CCOCC(=O)NC[C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001060765804 763161887 /nfs/dbraw/zinc/16/18/87/763161887.db2.gz UIGCMLCIMLGQQZ-SHTZXODSSA-N 1 2 348.447 0.956 20 30 ECEDLO COCCc1noc(C[NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)n1 ZINC001054640219 768115222 /nfs/dbraw/zinc/11/52/22/768115222.db2.gz XMNFIFZOKYACRD-TZMCWYRMSA-N 1 2 332.404 0.608 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCNC3=O)C2)c1 ZINC001014812921 763216173 /nfs/dbraw/zinc/21/61/73/763216173.db2.gz WHWQBEOCWHIMQG-CABCVRRESA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCCNC3=O)C2)c1 ZINC001014812921 763216181 /nfs/dbraw/zinc/21/61/81/763216181.db2.gz WHWQBEOCWHIMQG-CABCVRRESA-N 1 2 344.390 0.914 20 30 ECEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2O)CC1 ZINC000991753585 763242559 /nfs/dbraw/zinc/24/25/59/763242559.db2.gz LYYHLLODGIGMTN-LSDHHAIUSA-N 1 2 346.431 0.777 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]2O)C1 ZINC000991766235 763334783 /nfs/dbraw/zinc/33/47/83/763334783.db2.gz XVQWSBDHMXGDKG-ZIAGYGMSSA-N 1 2 332.404 0.317 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001014878532 763357404 /nfs/dbraw/zinc/35/74/04/763357404.db2.gz BEDIVMVGCUOOMX-SMDDNHRTSA-N 1 2 340.387 0.961 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2C[N@H+](CC(N)=O)CCC2(F)F)c1 ZINC001046927749 763401613 /nfs/dbraw/zinc/40/16/13/763401613.db2.gz CUYYYQDVIGSOQK-JTQLQIEISA-N 1 2 325.319 0.059 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)CCC2(F)F)c1 ZINC001046927749 763401616 /nfs/dbraw/zinc/40/16/16/763401616.db2.gz CUYYYQDVIGSOQK-JTQLQIEISA-N 1 2 325.319 0.059 20 30 ECEDLO Cn1c(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)c[nH]c1=O ZINC001031899367 763445652 /nfs/dbraw/zinc/44/56/52/763445652.db2.gz YRKZFHFCMXUHAM-UHFFFAOYSA-N 1 2 325.372 0.859 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCNC3=O)C2)cc1F ZINC001031899776 763448700 /nfs/dbraw/zinc/44/87/00/763448700.db2.gz GBRXFEPBVZPSQS-CQSZACIVSA-N 1 2 330.363 0.381 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001046968738 763485714 /nfs/dbraw/zinc/48/57/14/763485714.db2.gz NMTZJXMPAOCTQH-ZJUUUORDSA-N 1 2 336.770 0.494 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001046968738 763485717 /nfs/dbraw/zinc/48/57/17/763485717.db2.gz NMTZJXMPAOCTQH-ZJUUUORDSA-N 1 2 336.770 0.494 20 30 ECEDLO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCc3n[nH]nc32)C1 ZINC001046972995 763493312 /nfs/dbraw/zinc/49/33/12/763493312.db2.gz WZEADEIOQRIDRL-NWDGAFQWSA-N 1 2 337.374 0.931 20 30 ECEDLO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCc3n[nH]nc32)C1 ZINC001046972995 763493314 /nfs/dbraw/zinc/49/33/14/763493314.db2.gz WZEADEIOQRIDRL-NWDGAFQWSA-N 1 2 337.374 0.931 20 30 ECEDLO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001046994866 763532587 /nfs/dbraw/zinc/53/25/87/763532587.db2.gz HMFXIKPIYRIENT-GJZGRUSLSA-N 1 2 343.418 0.804 20 30 ECEDLO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001046994866 763532594 /nfs/dbraw/zinc/53/25/94/763532594.db2.gz HMFXIKPIYRIENT-GJZGRUSLSA-N 1 2 343.418 0.804 20 30 ECEDLO CC#CCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001046994866 763532602 /nfs/dbraw/zinc/53/26/02/763532602.db2.gz HMFXIKPIYRIENT-GJZGRUSLSA-N 1 2 343.418 0.804 20 30 ECEDLO CC#CCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001046994866 763532610 /nfs/dbraw/zinc/53/26/10/763532610.db2.gz HMFXIKPIYRIENT-GJZGRUSLSA-N 1 2 343.418 0.804 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(Cc3ncccn3)CC2)C1 ZINC001051997544 763547052 /nfs/dbraw/zinc/54/70/52/763547052.db2.gz DCUSNGSXLIIYLM-GJZGRUSLSA-N 1 2 328.420 0.355 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)C3CCC(O)CC3)C2)CC1 ZINC001052022048 763606937 /nfs/dbraw/zinc/60/69/37/763606937.db2.gz TUXGUOAULURMMY-LXPRWKDFSA-N 1 2 333.476 0.779 20 30 ECEDLO Cn1cc(CN2CC[NH+]([C@H]3CCN(C(=O)C#CC4CC4)C3)CC2)cn1 ZINC001052026608 763619482 /nfs/dbraw/zinc/61/94/82/763619482.db2.gz RHGRFGDXPONHDX-SFHVURJKSA-N 1 2 341.459 0.552 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)CO[C@H]3CCOC3)C2)CC1 ZINC001052026799 763620232 /nfs/dbraw/zinc/62/02/32/763620232.db2.gz TVHPSGODQMCFAW-SJORKVTESA-N 1 2 337.464 0.587 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccnn3C(F)F)C2)CC1 ZINC001052032210 763633967 /nfs/dbraw/zinc/63/39/67/763633967.db2.gz DEUMBDBPHMVVEI-GFCCVEGCSA-N 1 2 338.362 0.634 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)C2)CC1 ZINC001052033997 763638122 /nfs/dbraw/zinc/63/81/22/763638122.db2.gz YUGJBMLESNGOAG-DLBZAZTESA-N 1 2 346.475 0.095 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)CCc3ccnn3C)C2)CC1 ZINC001052035840 763645462 /nfs/dbraw/zinc/64/54/62/763645462.db2.gz RMPUCXXXMIYBSQ-GOSISDBHSA-N 1 2 343.475 0.595 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCCNC3=O)C2)CC1 ZINC001052037273 763653812 /nfs/dbraw/zinc/65/38/12/763653812.db2.gz JLRMZAPQPQAJPN-CVEARBPZSA-N 1 2 334.464 0.307 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnc4n[nH]cc4c3)C2)CC1 ZINC001052041047 763665342 /nfs/dbraw/zinc/66/53/42/763665342.db2.gz QMUQIJCAUKNRSZ-INIZCTEOSA-N 1 2 338.415 0.423 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3CCN(C)C3=O)C2)CC1 ZINC001052041214 763665802 /nfs/dbraw/zinc/66/58/02/763665802.db2.gz VYMUEIIMEVJDPW-IAGOWNOFSA-N 1 2 346.475 0.097 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn(C)nc3CC)C2)CC1 ZINC001052041616 763668348 /nfs/dbraw/zinc/66/83/48/763668348.db2.gz MUQFAYVCLBEBTM-OAHLLOKOSA-N 1 2 329.448 0.448 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC001017582487 768151880 /nfs/dbraw/zinc/15/18/80/768151880.db2.gz OMWGTGNKRRUXGJ-YESZJQIVSA-N 1 2 329.444 0.943 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC001017582487 768151885 /nfs/dbraw/zinc/15/18/85/768151885.db2.gz OMWGTGNKRRUXGJ-YESZJQIVSA-N 1 2 329.444 0.943 20 30 ECEDLO Cn1ncc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)c1Cl ZINC001052044044 763676677 /nfs/dbraw/zinc/67/66/77/763676677.db2.gz BMHGCUUDQVHHBS-GFCCVEGCSA-N 1 2 336.827 0.429 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CN(C(=O)CSCC#N)C[C@H]1C ZINC001052045243 763682252 /nfs/dbraw/zinc/68/22/52/763682252.db2.gz PFLPWNHPCMXGBO-YPMHNXCESA-N 1 2 349.460 0.728 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3snnc3CC)C2)CC1 ZINC001052047412 763689969 /nfs/dbraw/zinc/68/99/69/763689969.db2.gz MCZMZQDPDIGAFE-CYBMUJFWSA-N 1 2 333.461 0.566 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ncnc4[nH]ccc43)C2)CC1 ZINC001052047240 763690291 /nfs/dbraw/zinc/69/02/91/763690291.db2.gz JUDKFLDOLCVYEM-AWEZNQCLSA-N 1 2 338.415 0.375 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)CC1 ZINC001052047630 763691046 /nfs/dbraw/zinc/69/10/46/763691046.db2.gz ULGLWPXTZCZASY-HKUYNNGSSA-N 1 2 339.439 0.842 20 30 ECEDLO CCN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001015025897 763694868 /nfs/dbraw/zinc/69/48/68/763694868.db2.gz SPZHHVNXPCHCDU-ZWKOTPCHSA-N 1 2 342.443 0.969 20 30 ECEDLO CCN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001015025897 763694871 /nfs/dbraw/zinc/69/48/71/763694871.db2.gz SPZHHVNXPCHCDU-ZWKOTPCHSA-N 1 2 342.443 0.969 20 30 ECEDLO C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCCN1C(=O)c1c[nH]c(C#N)c1 ZINC001015036982 763721315 /nfs/dbraw/zinc/72/13/15/763721315.db2.gz SXNKWOSORKGCBM-SWLSCSKDSA-N 1 2 340.387 0.892 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCCN1C(=O)c1cc(C#N)c[nH]1 ZINC001015037338 763722297 /nfs/dbraw/zinc/72/22/97/763722297.db2.gz VROFUPQNJPOZCZ-TZMCWYRMSA-N 1 2 340.387 0.892 20 30 ECEDLO N#Cc1nccnc1NC[C@@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC001106017793 763724982 /nfs/dbraw/zinc/72/49/82/763724982.db2.gz OKCKEKZELZPYIJ-LLVKDONJSA-N 1 2 337.343 0.199 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)CC3)C2)CC1 ZINC001052056799 763728456 /nfs/dbraw/zinc/72/84/56/763728456.db2.gz HQVMHKFKYOEAEQ-DLBZAZTESA-N 1 2 348.491 0.697 20 30 ECEDLO CCc1cc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)c(C)nn1 ZINC001052057036 763729590 /nfs/dbraw/zinc/72/95/90/763729590.db2.gz JVBFBWRWMKHYRP-INIZCTEOSA-N 1 2 342.447 0.703 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](O)C2)C1 ZINC000991817887 763742779 /nfs/dbraw/zinc/74/27/79/763742779.db2.gz QEGZMOCDNXJLHT-UONOGXRCSA-N 1 2 332.404 0.387 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc4n3CCCC4)C2)CC1 ZINC001052068299 763762203 /nfs/dbraw/zinc/76/22/03/763762203.db2.gz DXJHFYSSRSSEMX-OAHLLOKOSA-N 1 2 342.447 0.575 20 30 ECEDLO C#CCOCCC(=O)N1CCC(O)(CNc2cc[nH+]c(C)n2)CC1 ZINC001112450600 763792460 /nfs/dbraw/zinc/79/24/60/763792460.db2.gz HCHKPOQMFJVJPU-UHFFFAOYSA-N 1 2 332.404 0.590 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ocnc3C(F)F)C2)CC1 ZINC001052081697 763799326 /nfs/dbraw/zinc/79/93/26/763799326.db2.gz FLWFYUVCAPTSRM-LLVKDONJSA-N 1 2 339.346 0.968 20 30 ECEDLO C[C@@H](Oc1cccnc1)C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052082636 763803286 /nfs/dbraw/zinc/80/32/86/763803286.db2.gz VAYULESPCGUCBZ-HZPDHXFCSA-N 1 2 343.431 0.591 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cn3cc(Cl)cn3)C2)CC1 ZINC001052087402 763818597 /nfs/dbraw/zinc/81/85/97/763818597.db2.gz VKAYQYAFAZPGPY-MRXNPFEDSA-N 1 2 349.866 0.778 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)Cc3nonc3C)C2)CC1 ZINC001052103096 763868304 /nfs/dbraw/zinc/86/83/04/763868304.db2.gz LXOLMJRPZXEDFS-HNNXBMFYSA-N 1 2 333.436 0.715 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3coc(COC)n3)C2)CC1 ZINC001052103911 763870683 /nfs/dbraw/zinc/87/06/83/763870683.db2.gz VVVINKSMLMHIJG-AWEZNQCLSA-N 1 2 334.420 0.839 20 30 ECEDLO CCCc1nc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)co1 ZINC001052106081 763878304 /nfs/dbraw/zinc/87/83/04/763878304.db2.gz APBSAPBLBQUKOP-AWEZNQCLSA-N 1 2 331.420 0.983 20 30 ECEDLO Cn1cc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)c(Cl)n1 ZINC001052106090 763878501 /nfs/dbraw/zinc/87/85/01/763878501.db2.gz BBCQSEPKKCJCSB-LBPRGKRZSA-N 1 2 336.827 0.429 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn(C)nc3Cl)C2)CC1 ZINC001052106943 763884134 /nfs/dbraw/zinc/88/41/34/763884134.db2.gz XGILDUNOZIZKHC-CYBMUJFWSA-N 1 2 335.839 0.539 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn(C)nc3Cl)C2)CC1 ZINC001052106943 763884144 /nfs/dbraw/zinc/88/41/44/763884144.db2.gz XGILDUNOZIZKHC-CYBMUJFWSA-N 1 2 335.839 0.539 20 30 ECEDLO C=CCN1CC[C@@H](N2CC(NC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1=O ZINC001030544215 763893988 /nfs/dbraw/zinc/89/39/88/763893988.db2.gz FHMJHLMFKRFKOO-XJKSGUPXSA-N 1 2 343.431 0.033 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3ccsc3)C2)C1=O ZINC001047293141 763905819 /nfs/dbraw/zinc/90/58/19/763905819.db2.gz WAVVOZXHTVTPRD-ILXRZTDVSA-N 1 2 349.456 0.652 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3ccsc3)C2)C1=O ZINC001047293141 763905825 /nfs/dbraw/zinc/90/58/25/763905825.db2.gz WAVVOZXHTVTPRD-ILXRZTDVSA-N 1 2 349.456 0.652 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC[C@H]([NH+]2CCN(CCO)CC2)C1 ZINC001052113178 763910703 /nfs/dbraw/zinc/91/07/03/763910703.db2.gz OSVRASFUVAXFOF-IBGZPJMESA-N 1 2 341.455 0.421 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn(C)c3OC)C2)CC1 ZINC001052113152 763911137 /nfs/dbraw/zinc/91/11/37/763911137.db2.gz NUNOHPGXQXQRNX-AWEZNQCLSA-N 1 2 333.436 0.447 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCN(C(C)=O)C3)C2)CC1 ZINC001052113412 763912044 /nfs/dbraw/zinc/91/20/44/763912044.db2.gz USBSXIIUUKUAPA-ZWKOTPCHSA-N 1 2 348.491 0.649 20 30 ECEDLO CC(C)c1nn(C)cc1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052113968 763915197 /nfs/dbraw/zinc/91/51/97/763915197.db2.gz FZPCCUDRTUCGEL-OAHLLOKOSA-N 1 2 344.463 0.899 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3c(C)n[nH]c3C)C2)CC1 ZINC001052117146 763927088 /nfs/dbraw/zinc/92/70/88/763927088.db2.gz HQQIPEQEVYEDRC-MRXNPFEDSA-N 1 2 329.448 0.421 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1OC ZINC001212187237 763975531 /nfs/dbraw/zinc/97/55/31/763975531.db2.gz MMYRKPYESHLDIR-HZPDHXFCSA-N 1 2 335.448 0.664 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1OC ZINC001212187237 763975535 /nfs/dbraw/zinc/97/55/35/763975535.db2.gz MMYRKPYESHLDIR-HZPDHXFCSA-N 1 2 335.448 0.664 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2=CCN(C(=O)Cn3cc[nH+]c3)CC2)nc1 ZINC001017606737 768181258 /nfs/dbraw/zinc/18/12/58/768181258.db2.gz VQYYEPBDUOPONU-UHFFFAOYSA-N 1 2 349.394 0.848 20 30 ECEDLO Cc1nsc(NC[C@@H](O)CNC(=O)CCn2cc[nH+]c2)c1C#N ZINC001106037642 764020096 /nfs/dbraw/zinc/02/00/96/764020096.db2.gz DZBGTKWYSZBAEE-NSHDSACASA-N 1 2 334.405 0.499 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1C(=O)c1cc(C#N)c[nH]1 ZINC001015177587 764080238 /nfs/dbraw/zinc/08/02/38/764080238.db2.gz VVGUHWQLTZEYSG-AAEUAGOBSA-N 1 2 340.387 0.961 20 30 ECEDLO N#Cc1cncc(N2CC=C(CCNC(=O)Cc3c[nH]c[nH+]3)CC2)n1 ZINC001089864796 764140711 /nfs/dbraw/zinc/14/07/11/764140711.db2.gz FVMZQADPULVWFC-UHFFFAOYSA-N 1 2 337.387 0.957 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)COCCOCC)C2)nn1 ZINC001098784784 768190860 /nfs/dbraw/zinc/19/08/60/768190860.db2.gz LIPIGGIDRYFYGU-INIZCTEOSA-N 1 2 349.435 0.218 20 30 ECEDLO Cn1[nH]c(C[N@@H+]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)CC2)nc1=O ZINC001052288495 764201073 /nfs/dbraw/zinc/20/10/73/764201073.db2.gz NEQQHQAUUSVOJS-GFCCVEGCSA-N 1 2 343.391 0.093 20 30 ECEDLO Cn1[nH]c(C[N@H+]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)CC2)nc1=O ZINC001052288495 764201081 /nfs/dbraw/zinc/20/10/81/764201081.db2.gz NEQQHQAUUSVOJS-GFCCVEGCSA-N 1 2 343.391 0.093 20 30 ECEDLO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]c2-c2ccccn2)C1 ZINC001047405831 764238769 /nfs/dbraw/zinc/23/87/69/764238769.db2.gz XJPNPXVRDVPQMR-HOTGVXAUSA-N 1 2 339.399 0.612 20 30 ECEDLO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]c2-c2ccccn2)C1 ZINC001047405831 764238776 /nfs/dbraw/zinc/23/87/76/764238776.db2.gz XJPNPXVRDVPQMR-HOTGVXAUSA-N 1 2 339.399 0.612 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncn(-c3ccccc3)n2)C1 ZINC001047421371 764294086 /nfs/dbraw/zinc/29/40/86/764294086.db2.gz CPXSGMFISPSIIB-HOTGVXAUSA-N 1 2 339.399 0.408 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncn(-c3ccccc3)n2)C1 ZINC001047421371 764294091 /nfs/dbraw/zinc/29/40/91/764294091.db2.gz CPXSGMFISPSIIB-HOTGVXAUSA-N 1 2 339.399 0.408 20 30 ECEDLO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001052393113 764405245 /nfs/dbraw/zinc/40/52/45/764405245.db2.gz YCBUQWXLJGBPSR-YPMHNXCESA-N 1 2 340.387 0.676 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@H+](Cc3cnn(C)c3)C[C@@H]2O)cc1 ZINC001047481184 764473120 /nfs/dbraw/zinc/47/31/20/764473120.db2.gz YCVPPTINPJKDEC-ROUUACIJSA-N 1 2 338.411 0.719 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@H]2O)cc1 ZINC001047481184 764473124 /nfs/dbraw/zinc/47/31/24/764473124.db2.gz YCVPPTINPJKDEC-ROUUACIJSA-N 1 2 338.411 0.719 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2ocnc2C)C[C@@H]1O ZINC001047561837 764697064 /nfs/dbraw/zinc/69/70/64/764697064.db2.gz YHPPFFIXZPFKPZ-JKQORVJESA-N 1 2 349.431 0.968 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2ocnc2C)C[C@@H]1O ZINC001047561837 764697069 /nfs/dbraw/zinc/69/70/69/764697069.db2.gz YHPPFFIXZPFKPZ-JKQORVJESA-N 1 2 349.431 0.968 20 30 ECEDLO C=C1CCC(C(=O)NC[C@@H](O)CNc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001106081063 764733042 /nfs/dbraw/zinc/73/30/42/764733042.db2.gz WLFZRZPGXLOIAU-CQSZACIVSA-N 1 2 348.451 0.881 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3ccnc(OC)n3)C2)cn1 ZINC001032137608 764790183 /nfs/dbraw/zinc/79/01/83/764790183.db2.gz URLMMFRSGAKHTO-UHFFFAOYSA-N 1 2 337.383 0.723 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H](C)[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001052600315 764832354 /nfs/dbraw/zinc/83/23/54/764832354.db2.gz WBCAHNSQAUGMAX-KBPBESRZSA-N 1 2 332.404 0.203 20 30 ECEDLO CN(C(=O)c1ccn(C)n1)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047625954 764918871 /nfs/dbraw/zinc/91/88/71/764918871.db2.gz QHEIVQXIEFCAPN-ROUUACIJSA-N 1 2 338.411 0.589 20 30 ECEDLO CN(C(=O)c1ccn(C)n1)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047625954 764918879 /nfs/dbraw/zinc/91/88/79/764918879.db2.gz QHEIVQXIEFCAPN-ROUUACIJSA-N 1 2 338.411 0.589 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)[nH]1 ZINC001015544321 764920382 /nfs/dbraw/zinc/92/03/82/764920382.db2.gz GZMZMJRZYCOQHX-NEPJUHHUSA-N 1 2 340.387 0.867 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](n3cc(C[NH2+]CCF)nn3)C2)cn1 ZINC001098774123 764934530 /nfs/dbraw/zinc/93/45/30/764934530.db2.gz NPSRXZIUTYDRBE-MRXNPFEDSA-N 1 2 342.378 0.801 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)COc3ccccc3)C2)nn1 ZINC001098774108 764934594 /nfs/dbraw/zinc/93/45/94/764934594.db2.gz NIZOACIGDDYABF-INIZCTEOSA-N 1 2 339.399 0.853 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2CC2)C[C@H]1Nc1ccc(C#N)nn1 ZINC001052714287 765033916 /nfs/dbraw/zinc/03/39/16/765033916.db2.gz LSTCLBAOYMULEJ-ZIAGYGMSSA-N 1 2 337.387 0.898 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001017663229 768264651 /nfs/dbraw/zinc/26/46/51/768264651.db2.gz QIVFFLNBPJVLFR-XQHKEYJVSA-N 1 2 332.322 0.641 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001017663229 768264654 /nfs/dbraw/zinc/26/46/54/768264654.db2.gz QIVFFLNBPJVLFR-XQHKEYJVSA-N 1 2 332.322 0.641 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(=O)cn3)C2)c1 ZINC001015626383 765097970 /nfs/dbraw/zinc/09/79/70/765097970.db2.gz LUOZZZOJPLMQQV-CYBMUJFWSA-N 1 2 341.346 0.785 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)c3c[nH]c(=O)cn3)C2)c1 ZINC001015626383 765097979 /nfs/dbraw/zinc/09/79/79/765097979.db2.gz LUOZZZOJPLMQQV-CYBMUJFWSA-N 1 2 341.346 0.785 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cncc(OC)n2)C1 ZINC001015726505 765242758 /nfs/dbraw/zinc/24/27/58/765242758.db2.gz OAIBWGDOJDIBNI-CFVMTHIKSA-N 1 2 332.404 0.767 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cncc(OC)n2)C1 ZINC001015726505 765242762 /nfs/dbraw/zinc/24/27/62/765242762.db2.gz OAIBWGDOJDIBNI-CFVMTHIKSA-N 1 2 332.404 0.767 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cnoc3CC)C2)C1=O ZINC001015779887 765306302 /nfs/dbraw/zinc/30/63/02/765306302.db2.gz ULCJFFCBNXRQNV-OCCSQVGLSA-N 1 2 332.404 0.828 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cnoc3CC)C2)C1=O ZINC001015779887 765306308 /nfs/dbraw/zinc/30/63/08/765306308.db2.gz ULCJFFCBNXRQNV-OCCSQVGLSA-N 1 2 332.404 0.828 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CCCC3)C2)nn1 ZINC001015812412 765372023 /nfs/dbraw/zinc/37/20/23/765372023.db2.gz WTXFFQLSTZRURY-AWEZNQCLSA-N 1 2 346.435 0.327 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CCCC3)C2)nn1 ZINC001015812412 765372033 /nfs/dbraw/zinc/37/20/33/765372033.db2.gz WTXFFQLSTZRURY-AWEZNQCLSA-N 1 2 346.435 0.327 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001015816821 765379520 /nfs/dbraw/zinc/37/95/20/765379520.db2.gz PPCAIYHVHINAPZ-VYDXJSESSA-N 1 2 335.448 0.827 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001015816821 765379530 /nfs/dbraw/zinc/37/95/30/765379530.db2.gz PPCAIYHVHINAPZ-VYDXJSESSA-N 1 2 335.448 0.827 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cncn3C)C2)nn1 ZINC001015820599 765383952 /nfs/dbraw/zinc/38/39/52/765383952.db2.gz JDHYPUMOGYBLEE-CYBMUJFWSA-N 1 2 329.408 0.592 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cncn3C)C2)nn1 ZINC001015820599 765383958 /nfs/dbraw/zinc/38/39/58/765383958.db2.gz JDHYPUMOGYBLEE-CYBMUJFWSA-N 1 2 329.408 0.592 20 30 ECEDLO C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCCc3[nH]ncc32)C1=O ZINC001127338319 768288919 /nfs/dbraw/zinc/28/89/19/768288919.db2.gz CTNIGXXKMPMJOO-WFASDCNBSA-N 1 2 331.420 0.322 20 30 ECEDLO C#CCOCCC(=O)N[C@H](C)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106442825 768308410 /nfs/dbraw/zinc/30/84/10/768308410.db2.gz LWQTZCKVJXRTKI-GFCCVEGCSA-N 1 2 334.424 0.593 20 30 ECEDLO O=C(Cc1nc[nH]n1)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001015968223 765636320 /nfs/dbraw/zinc/63/63/20/765636320.db2.gz SPCBAHDUGHGMEP-OAHLLOKOSA-N 1 2 327.363 0.729 20 30 ECEDLO O=C(Cc1nc[nH]n1)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001015968223 765636325 /nfs/dbraw/zinc/63/63/25/765636325.db2.gz SPCBAHDUGHGMEP-OAHLLOKOSA-N 1 2 327.363 0.729 20 30 ECEDLO C=C1CC(C)(C(=O)NC[C@H](O)CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001106096738 765640876 /nfs/dbraw/zinc/64/08/76/765640876.db2.gz ODQLKLSECKFRHW-LBPRGKRZSA-N 1 2 334.424 0.491 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc(CC)on3)C2)C1=O ZINC001016015890 765723250 /nfs/dbraw/zinc/72/32/50/765723250.db2.gz CTQXPMAUZPLJJU-WFASDCNBSA-N 1 2 332.404 0.828 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(CC)on3)C2)C1=O ZINC001016015890 765723252 /nfs/dbraw/zinc/72/32/52/765723252.db2.gz CTQXPMAUZPLJJU-WFASDCNBSA-N 1 2 332.404 0.828 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CCCC3)C2)cn1 ZINC001016031152 765733606 /nfs/dbraw/zinc/73/36/06/765733606.db2.gz OJODUUPWPWFVLI-KRWDZBQOSA-N 1 2 340.427 0.926 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CCCC3)C2)cn1 ZINC001016031152 765733610 /nfs/dbraw/zinc/73/36/10/765733610.db2.gz OJODUUPWPWFVLI-KRWDZBQOSA-N 1 2 340.427 0.926 20 30 ECEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)nc1 ZINC001106104517 765750972 /nfs/dbraw/zinc/75/09/72/765750972.db2.gz NKIGOLLERJSZMF-OLZOCXBDSA-N 1 2 340.387 0.685 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC(=O)N(C(C)C)C1)CCO2 ZINC001053281163 765895203 /nfs/dbraw/zinc/89/52/03/765895203.db2.gz RSEWKKCMPXQEOZ-OAHLLOKOSA-N 1 2 335.448 0.733 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCN(C(C)=O)C1)CCO2 ZINC001053331948 765989440 /nfs/dbraw/zinc/98/94/40/765989440.db2.gz DVLFFIJONFVABP-MRXNPFEDSA-N 1 2 335.448 0.734 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](OC)c1cnn(C)c1)CCO2 ZINC001053358397 766028290 /nfs/dbraw/zinc/02/82/90/766028290.db2.gz QCRMRBFVJGMMKJ-OAHLLOKOSA-N 1 2 334.420 0.597 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)Cc2ccn[nH]2)C1 ZINC001016352313 766169670 /nfs/dbraw/zinc/16/96/70/766169670.db2.gz OQSASPGJXIQKSY-GPANFISMSA-N 1 2 343.431 0.155 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(N(C)C(=O)Cc2ccn[nH]2)C1 ZINC001016352313 766169672 /nfs/dbraw/zinc/16/96/72/766169672.db2.gz OQSASPGJXIQKSY-GPANFISMSA-N 1 2 343.431 0.155 20 30 ECEDLO C=CC[N@@H+]1CC[C@]2(NC(=O)Cn3[nH]cc4c(=O)ncnc3-4)CCC[C@@H]12 ZINC000992313892 766240952 /nfs/dbraw/zinc/24/09/52/766240952.db2.gz BLDGLUVZXGNYPP-CXAGYDPISA-N 1 2 342.403 0.370 20 30 ECEDLO C=CC[N@H+]1CC[C@]2(NC(=O)Cn3[nH]cc4c(=O)ncnc3-4)CCC[C@@H]12 ZINC000992313892 766240958 /nfs/dbraw/zinc/24/09/58/766240958.db2.gz BLDGLUVZXGNYPP-CXAGYDPISA-N 1 2 342.403 0.370 20 30 ECEDLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CNC(=O)CSCC#N ZINC001053504885 766250868 /nfs/dbraw/zinc/25/08/68/766250868.db2.gz VOHVNFJNQCHNJQ-NWDGAFQWSA-N 1 2 335.433 0.420 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3nn(CC)nc3C)C2)C1=O ZINC001016425551 766277692 /nfs/dbraw/zinc/27/76/92/766277692.db2.gz ZSYWTLOUUKTECS-ZIAGYGMSSA-N 1 2 346.435 0.197 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3nn(CC)nc3C)C2)C1=O ZINC001016425551 766277697 /nfs/dbraw/zinc/27/76/97/766277697.db2.gz ZSYWTLOUUKTECS-ZIAGYGMSSA-N 1 2 346.435 0.197 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001045778272 766359165 /nfs/dbraw/zinc/35/91/65/766359165.db2.gz WNVRFAMBENBFHF-QGZVFWFLSA-N 1 2 348.447 0.645 20 30 ECEDLO CO[C@@H]1C[N@@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212248990 766364278 /nfs/dbraw/zinc/36/42/78/766364278.db2.gz SEMIDAIZZSNSBT-OWCLPIDISA-N 1 2 349.475 0.861 20 30 ECEDLO CO[C@@H]1C[N@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212248990 766364290 /nfs/dbraw/zinc/36/42/90/766364290.db2.gz SEMIDAIZZSNSBT-OWCLPIDISA-N 1 2 349.475 0.861 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCc2sc(C[NH2+][C@H]3CCN(C)C3=O)nc2C1 ZINC001089273853 766469857 /nfs/dbraw/zinc/46/98/57/766469857.db2.gz HXRYNCCLDLENSH-MNOVXSKESA-N 1 2 347.444 0.508 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cn(C)c(=O)cn1)O2 ZINC001053629237 766476183 /nfs/dbraw/zinc/47/61/83/766476183.db2.gz JTXOOPFLMAFIES-ZDUSSCGKSA-N 1 2 332.404 0.320 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccn(CCOC)n1)O2 ZINC001053631221 766479398 /nfs/dbraw/zinc/47/93/98/766479398.db2.gz UIQYKZOWAJGFKY-CQSZACIVSA-N 1 2 334.420 0.679 20 30 ECEDLO Cn1ncnc1C[NH+]1CCC2(C[C@@H]2NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001016576224 766525406 /nfs/dbraw/zinc/52/54/06/766525406.db2.gz MYSZIIXHNAOGBJ-AWEZNQCLSA-N 1 2 339.403 0.799 20 30 ECEDLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1NC(=O)C#CC1CC1 ZINC001212254497 766526793 /nfs/dbraw/zinc/52/67/93/766526793.db2.gz YKKIDLRJYNZYFE-USXIJHARSA-N 1 2 349.475 0.766 20 30 ECEDLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1NC(=O)C#CC1CC1 ZINC001212254497 766526797 /nfs/dbraw/zinc/52/67/97/766526797.db2.gz YKKIDLRJYNZYFE-USXIJHARSA-N 1 2 349.475 0.766 20 30 ECEDLO Cn1ncc(C[NH+]2CCC3(C[C@@H]3NC(=O)c3ccc(C#N)[nH]3)CC2)n1 ZINC001016577299 766526875 /nfs/dbraw/zinc/52/68/75/766526875.db2.gz WCKYTKCWUSNQHA-HNNXBMFYSA-N 1 2 339.403 0.799 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCc3nnnn3CC1)O2 ZINC001053664307 766538464 /nfs/dbraw/zinc/53/84/64/766538464.db2.gz QQMIIFYRLYQJJT-KGLIPLIRSA-N 1 2 346.435 0.161 20 30 ECEDLO Cn1cnnc1C[NH+]1CCC2(C[C@H]2NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001016586984 766545289 /nfs/dbraw/zinc/54/52/89/766545289.db2.gz JMNIBRUEFMHCIP-CQSZACIVSA-N 1 2 339.403 0.799 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@H]1OC ZINC001212257872 766595235 /nfs/dbraw/zinc/59/52/35/766595235.db2.gz KDXVGPHQZPAGGC-NUEKZKHPSA-N 1 2 332.404 0.139 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(C)ncn2)C[C@H]1OC ZINC001212257872 766595242 /nfs/dbraw/zinc/59/52/42/766595242.db2.gz KDXVGPHQZPAGGC-NUEKZKHPSA-N 1 2 332.404 0.139 20 30 ECEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1OC ZINC001213271310 766692454 /nfs/dbraw/zinc/69/24/54/766692454.db2.gz RXNJNULCSSUDKD-BFHYXJOUSA-N 1 2 344.477 0.449 20 30 ECEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1OC ZINC001213271310 766692459 /nfs/dbraw/zinc/69/24/59/766692459.db2.gz RXNJNULCSSUDKD-BFHYXJOUSA-N 1 2 344.477 0.449 20 30 ECEDLO CN1C[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)CC1=O ZINC001031712403 766704844 /nfs/dbraw/zinc/70/48/44/766704844.db2.gz YGRPJLQHJOUSDN-OAHLLOKOSA-N 1 2 344.390 0.724 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3ccnn3C(F)F)CC2)C1 ZINC001046032630 766706150 /nfs/dbraw/zinc/70/61/50/766706150.db2.gz GMVDNMOCJMOLGP-LBPRGKRZSA-N 1 2 338.362 0.634 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(Cc3nnn(C)n3)C2)CC1 ZINC001046050465 766787298 /nfs/dbraw/zinc/78/72/98/766787298.db2.gz BHYSQEFXZRDLJN-AWEZNQCLSA-N 1 2 347.467 0.141 20 30 ECEDLO Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046063794 766839172 /nfs/dbraw/zinc/83/91/72/766839172.db2.gz XUBLOZWIUQXRGJ-BZUAXINKSA-N 1 2 342.447 0.266 20 30 ECEDLO Cc1ncccc1CC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046064292 766842416 /nfs/dbraw/zinc/84/24/16/766842416.db2.gz KFAWRWDXTPEJBS-KRWDZBQOSA-N 1 2 327.432 0.675 20 30 ECEDLO Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)c(=O)[nH]1 ZINC001046067527 766859518 /nfs/dbraw/zinc/85/95/18/766859518.db2.gz OFJVGJXFPLPPEP-CQSZACIVSA-N 1 2 329.404 0.451 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3ccc4nncn4c3)CC2)C1 ZINC001046069248 766868271 /nfs/dbraw/zinc/86/82/71/766868271.db2.gz FJSZCAZMYVGOCI-HNNXBMFYSA-N 1 2 339.403 0.085 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cnn(C(F)F)c3)CC2)C1 ZINC001046075022 766893827 /nfs/dbraw/zinc/89/38/27/766893827.db2.gz NBENHPISUFGWER-CYBMUJFWSA-N 1 2 338.362 0.634 20 30 ECEDLO C[C@H](CC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1)n1cccn1 ZINC001046075384 766894454 /nfs/dbraw/zinc/89/44/54/766894454.db2.gz RWEBCVRGGGJHDE-HZPDHXFCSA-N 1 2 330.436 0.576 20 30 ECEDLO C[C@H](Cc1cnn(C)c1)C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046075499 766896091 /nfs/dbraw/zinc/89/60/91/766896091.db2.gz VAELYYJSDUXCLC-NVXWUHKLSA-N 1 2 344.463 0.341 20 30 ECEDLO CC(C)c1cc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)n(C)n1 ZINC001046076539 766904299 /nfs/dbraw/zinc/90/42/99/766904299.db2.gz FGPMHTGCNVMLJA-HNNXBMFYSA-N 1 2 344.463 0.899 20 30 ECEDLO Cc1noc(C)c1CCC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046082115 766920858 /nfs/dbraw/zinc/92/08/58/766920858.db2.gz NOTNYTPVQYYJSR-MRXNPFEDSA-N 1 2 345.447 0.966 20 30 ECEDLO C[C@H](C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1)N1CCCCC1=O ZINC001046086189 766928060 /nfs/dbraw/zinc/92/80/60/766928060.db2.gz MYLLUIUIXFGBKP-HZPDHXFCSA-N 1 2 347.463 0.129 20 30 ECEDLO C[C@@H](C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1)C1CCOCC1 ZINC001046089910 766932207 /nfs/dbraw/zinc/93/22/07/766932207.db2.gz LDCGWBWAMMGLJA-WBVHZDCISA-N 1 2 334.464 0.791 20 30 ECEDLO N#Cc1cc(CN2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)ccc1F ZINC001078270262 782595087 /nfs/dbraw/zinc/59/50/87/782595087.db2.gz JTKKPHAYQDXBTC-HZPDHXFCSA-N 1 2 343.362 0.255 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C2CC(NC(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC001016809911 766966295 /nfs/dbraw/zinc/96/62/95/766966295.db2.gz MXGWTDPSUDPWFL-UHFFFAOYSA-N 1 2 337.383 0.748 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn3c(n1)COCC3)CO2 ZINC001053847286 767007211 /nfs/dbraw/zinc/00/72/11/767007211.db2.gz CIPLHZRWALKLHR-CYBMUJFWSA-N 1 2 332.404 0.563 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3nccn3C1)CO2 ZINC001053851785 767022045 /nfs/dbraw/zinc/02/20/45/767022045.db2.gz AVTAOHNEYCVMNM-GJZGRUSLSA-N 1 2 328.416 0.428 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1Cc3ccccc3O1)CO2 ZINC001053865091 767070155 /nfs/dbraw/zinc/07/01/55/767070155.db2.gz QUHIRADBADOUBY-WBVHZDCISA-N 1 2 326.396 0.973 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1ccn(C(C)C)n1)CO2 ZINC001053877115 767119348 /nfs/dbraw/zinc/11/93/48/767119348.db2.gz RDBHGPQUWQUDDL-INIZCTEOSA-N 1 2 330.432 0.989 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3nc(C)nn3C1)CO2 ZINC001053878813 767127166 /nfs/dbraw/zinc/12/71/66/767127166.db2.gz KDXJBDYEJYVMKM-LSDHHAIUSA-N 1 2 345.447 0.685 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CCS(C)(=O)=O)C1 ZINC001046327232 767150673 /nfs/dbraw/zinc/15/06/73/767150673.db2.gz IKPRBNHBEBULJR-IJEWVQPXSA-N 1 2 344.477 0.593 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001046327232 767150676 /nfs/dbraw/zinc/15/06/76/767150676.db2.gz IKPRBNHBEBULJR-IJEWVQPXSA-N 1 2 344.477 0.593 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1COCCN1CCCC)CO2 ZINC001053881801 767154290 /nfs/dbraw/zinc/15/42/90/767154290.db2.gz PFBREBNHTHVGBB-IRXDYDNUSA-N 1 2 349.475 0.470 20 30 ECEDLO CN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)NC1=O ZINC001038590706 767174569 /nfs/dbraw/zinc/17/45/69/767174569.db2.gz BFBHFSHJPNBSHK-MFKMUULPSA-N 1 2 333.417 0.334 20 30 ECEDLO CN1C[C@@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)NC1=O ZINC001038590706 767174570 /nfs/dbraw/zinc/17/45/70/767174570.db2.gz BFBHFSHJPNBSHK-MFKMUULPSA-N 1 2 333.417 0.334 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1c(C)nn(C)c1C)CO2 ZINC001053885716 767188905 /nfs/dbraw/zinc/18/89/05/767188905.db2.gz VAIRNXJUGDJIHV-OAHLLOKOSA-N 1 2 330.432 0.562 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001046543919 767294720 /nfs/dbraw/zinc/29/47/20/767294720.db2.gz RWLTYZYJCGPFAG-GWCFXTLKSA-N 1 2 345.241 0.499 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001046543919 767294722 /nfs/dbraw/zinc/29/47/22/767294722.db2.gz RWLTYZYJCGPFAG-GWCFXTLKSA-N 1 2 345.241 0.499 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001046543926 767295049 /nfs/dbraw/zinc/29/50/49/767295049.db2.gz RWLTYZYJCGPFAG-MFKMUULPSA-N 1 2 345.241 0.499 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001046543926 767295051 /nfs/dbraw/zinc/29/50/51/767295051.db2.gz 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C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C(=O)N1CCC(C)CC1)CO2 ZINC001053947445 767426785 /nfs/dbraw/zinc/42/67/85/767426785.db2.gz BXVDMPBVOFLEQL-HNNXBMFYSA-N 1 2 335.448 0.781 20 30 ECEDLO C#CCOCCC(=O)NCC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060462522 767434088 /nfs/dbraw/zinc/43/40/88/767434088.db2.gz FDNREYSDNGONQB-AWEZNQCLSA-N 1 2 332.404 0.347 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2COC3(C[NH+](C[C@@H](C)OC)C3)C2)nn1 ZINC001053951117 767436120 /nfs/dbraw/zinc/43/61/20/767436120.db2.gz QHWMVDYOGZVOQL-ZIAGYGMSSA-N 1 2 349.435 0.462 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C(N)=O)s1)CO2 ZINC001053956103 767447010 /nfs/dbraw/zinc/44/70/10/767447010.db2.gz ZKXKQEXPPQPVOF-NSHDSACASA-N 1 2 333.413 0.443 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3cnnn3CC)C2)nn1 ZINC001046681656 767471068 /nfs/dbraw/zinc/47/10/68/767471068.db2.gz RBQNFUINUNZMEH-INIZCTEOSA-N 1 2 344.423 0.470 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@H+](Cc3cnnn3CC)C2)nn1 ZINC001046681656 767471070 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ZINC001058200569 773758198 /nfs/dbraw/zinc/75/81/98/773758198.db2.gz LGIYUFGHBSOPET-UHFFFAOYSA-N 1 2 336.436 0.813 20 30 ECEDLO C=C[C@H](CC)CC(=O)NCCN(CCO)C(=O)CCn1cc[nH+]c1 ZINC001058200671 773758490 /nfs/dbraw/zinc/75/84/90/773758490.db2.gz PTVBIJUEZLHKOK-OAHLLOKOSA-N 1 2 336.436 0.813 20 30 ECEDLO CCc1nc(C#N)cc(N2CCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001058247187 773836348 /nfs/dbraw/zinc/83/63/48/773836348.db2.gz LMWYPEYQCUOUFA-LBPRGKRZSA-N 1 2 339.403 0.961 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001058470261 774246713 /nfs/dbraw/zinc/24/67/13/774246713.db2.gz FWBZQXFBQUKQJM-AWEZNQCLSA-N 1 2 336.436 0.882 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001058470261 774246721 /nfs/dbraw/zinc/24/67/21/774246721.db2.gz FWBZQXFBQUKQJM-AWEZNQCLSA-N 1 2 336.436 0.882 20 30 ECEDLO N#Cc1nccc(N2CC[C@@H](NC(=O)[C@H]3CCc4[nH+]ccn4C3)C2)n1 ZINC001058481126 774271472 /nfs/dbraw/zinc/27/14/72/774271472.db2.gz JXOMZSMVYFQJQP-QWHCGFSZSA-N 1 2 337.387 0.502 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 ZINC001058586286 774482004 /nfs/dbraw/zinc/48/20/04/774482004.db2.gz JWUKYNXYFBBXMC-CYBMUJFWSA-N 1 2 338.371 0.689 20 30 ECEDLO COCc1noc(C[NH2+]C[C@@H]2CCCN2C(=O)c2ccc(C#N)[nH]2)n1 ZINC001045000381 774817538 /nfs/dbraw/zinc/81/75/38/774817538.db2.gz GCLUSHKWEINZGM-LBPRGKRZSA-N 1 2 344.375 0.810 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)CCO2 ZINC001068471067 790338113 /nfs/dbraw/zinc/33/81/13/790338113.db2.gz ZTVZINWDVVUCTD-UHFFFAOYSA-N 1 2 346.431 0.994 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@H]2C[NH2+]Cc2nnc(C)o2)nn1 ZINC001045231587 775187946 /nfs/dbraw/zinc/18/79/46/775187946.db2.gz BZORXFUZAZAMLN-LBPRGKRZSA-N 1 2 331.380 0.550 20 30 ECEDLO C=C1CCC(C(=O)N2CC(O)(CNC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001045281249 775308647 /nfs/dbraw/zinc/30/86/47/775308647.db2.gz BCOBLZNCGBRHPL-UHFFFAOYSA-N 1 2 332.404 0.388 20 30 ECEDLO C#Cc1cncc(C(=O)NC2(C)CC[NH+](Cc3cnn(C)n3)CC2)c1 ZINC001045551055 775778793 /nfs/dbraw/zinc/77/87/93/775778793.db2.gz HTNSOOMNZYRBNT-UHFFFAOYSA-N 1 2 338.415 0.976 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001070035320 790402197 /nfs/dbraw/zinc/40/21/97/790402197.db2.gz VPONWCVORILNDG-CVEARBPZSA-N 1 2 339.403 0.557 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001070035320 790402203 /nfs/dbraw/zinc/40/22/03/790402203.db2.gz VPONWCVORILNDG-CVEARBPZSA-N 1 2 339.403 0.557 20 30 ECEDLO N#Cc1c(F)cccc1N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001044605134 776508951 /nfs/dbraw/zinc/50/89/51/776508951.db2.gz YQJLNHYGRSITJR-HIFRSBDPSA-N 1 2 329.335 0.329 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001079687032 776685863 /nfs/dbraw/zinc/68/58/63/776685863.db2.gz OMCWRRDKJXURPI-KRWDZBQOSA-N 1 2 334.420 0.349 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001044714356 776686298 /nfs/dbraw/zinc/68/62/98/776686298.db2.gz ITOVIKRLBJSDEI-KGLIPLIRSA-N 1 2 348.447 0.500 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2nccn2)C1 ZINC001079774003 776843371 /nfs/dbraw/zinc/84/33/71/776843371.db2.gz KCSIJEGJWVNCOB-MWLCHTKSSA-N 1 2 328.214 0.623 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2nccn2)C1 ZINC001079774003 776843378 /nfs/dbraw/zinc/84/33/78/776843378.db2.gz KCSIJEGJWVNCOB-MWLCHTKSSA-N 1 2 328.214 0.623 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001079777974 776855374 /nfs/dbraw/zinc/85/53/74/776855374.db2.gz MKVSAVJPEAVGGY-HNNXBMFYSA-N 1 2 346.431 0.761 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001079840973 776961051 /nfs/dbraw/zinc/96/10/51/776961051.db2.gz CQKGCYGGVLXRMN-YUSALJHKSA-N 1 2 344.253 0.858 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001079840973 776961052 /nfs/dbraw/zinc/96/10/52/776961052.db2.gz CQKGCYGGVLXRMN-YUSALJHKSA-N 1 2 344.253 0.858 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(Cl)cn2)[C@@H](n2ccnn2)C1 ZINC001070079780 790532395 /nfs/dbraw/zinc/53/23/95/790532395.db2.gz SQRUVOUGXDGQFY-KGLIPLIRSA-N 1 2 330.779 0.615 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(Cl)cn2)[C@@H](n2ccnn2)C1 ZINC001070079780 790532409 /nfs/dbraw/zinc/53/24/09/790532409.db2.gz SQRUVOUGXDGQFY-KGLIPLIRSA-N 1 2 330.779 0.615 20 30 ECEDLO C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001043205457 777955578 /nfs/dbraw/zinc/95/55/78/777955578.db2.gz CAWMSSOVPADMJH-UHFFFAOYSA-N 1 2 348.447 0.979 20 30 ECEDLO C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001043225936 777999920 /nfs/dbraw/zinc/99/99/20/777999920.db2.gz JMWRULYVGRLAEC-ZDUSSCGKSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001043225936 777999928 /nfs/dbraw/zinc/99/99/28/777999928.db2.gz JMWRULYVGRLAEC-ZDUSSCGKSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001043228565 778012543 /nfs/dbraw/zinc/01/25/43/778012543.db2.gz OMEHUQYWDVKTIT-UONOGXRCSA-N 1 2 348.447 0.880 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001043228565 778012547 /nfs/dbraw/zinc/01/25/47/778012547.db2.gz OMEHUQYWDVKTIT-UONOGXRCSA-N 1 2 348.447 0.880 20 30 ECEDLO C=C(C)CCC(=O)NCC1(O)CN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001043320647 778153708 /nfs/dbraw/zinc/15/37/08/778153708.db2.gz XIFUZVZQIHGWIJ-UHFFFAOYSA-N 1 2 342.399 0.994 20 30 ECEDLO O=C(C#CC1CC1)NC[C@H]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)O1 ZINC001068570812 790598562 /nfs/dbraw/zinc/59/85/62/790598562.db2.gz CSJWKSOUDFIRDZ-OAHLLOKOSA-N 1 2 342.399 0.242 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)cc(=O)[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001070100684 790604721 /nfs/dbraw/zinc/60/47/21/790604721.db2.gz ZOTKEPLEFAJOBZ-KGLIPLIRSA-N 1 2 340.387 0.284 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)cc(=O)[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001070100684 790604725 /nfs/dbraw/zinc/60/47/25/790604725.db2.gz ZOTKEPLEFAJOBZ-KGLIPLIRSA-N 1 2 340.387 0.284 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001043526321 778470187 /nfs/dbraw/zinc/47/01/87/778470187.db2.gz VWIGAJHNIFYCPD-QWHCGFSZSA-N 1 2 334.420 0.490 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001043526321 778470191 /nfs/dbraw/zinc/47/01/91/778470191.db2.gz VWIGAJHNIFYCPD-QWHCGFSZSA-N 1 2 334.420 0.490 20 30 ECEDLO CC(C)C#CC(=O)NC1(CNC(=O)Cc2c[nH+]cn2C)CCOCC1 ZINC001070108457 790630286 /nfs/dbraw/zinc/63/02/86/790630286.db2.gz CXQCUUXTOCASTE-UHFFFAOYSA-N 1 2 346.431 0.404 20 30 ECEDLO CC(C)C#CC(=O)NC1(CNC(=O)Cn2cc[nH+]c2)CCOCC1 ZINC001070108594 790630323 /nfs/dbraw/zinc/63/03/23/790630323.db2.gz IDKDVLRIPSMFCO-UHFFFAOYSA-N 1 2 332.404 0.324 20 30 ECEDLO CC(C)C#CC(=O)NC1(CNC(=O)CCc2[nH]cc[nH+]2)CCOCC1 ZINC001070108931 790632588 /nfs/dbraw/zinc/63/25/88/790632588.db2.gz WKQBMQLEZLHLNS-UHFFFAOYSA-N 1 2 346.431 0.783 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C/C=C(\C)C=C)C1 ZINC001043651145 778668862 /nfs/dbraw/zinc/66/88/62/778668862.db2.gz DQNPLJJQODZNSW-AHQMPEJBSA-N 1 2 345.443 0.296 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C/C=C(\C)C=C)C1 ZINC001043651145 778668865 /nfs/dbraw/zinc/66/88/65/778668865.db2.gz DQNPLJJQODZNSW-AHQMPEJBSA-N 1 2 345.443 0.296 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)C2C[NH+](C[C@H](O)Cn3cccn3)C2)c1 ZINC001043823380 778915659 /nfs/dbraw/zinc/91/56/59/778915659.db2.gz FIHIIBINPQZCAI-KRWDZBQOSA-N 1 2 339.399 0.077 20 30 ECEDLO CC(C)C#CC(=O)N1CC2(C1)CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)O2 ZINC001068613594 790711177 /nfs/dbraw/zinc/71/11/77/790711177.db2.gz ZLDLLGHKKXKPTD-CQSZACIVSA-N 1 2 344.415 0.488 20 30 ECEDLO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)C[C@H]21 ZINC001042273634 779958009 /nfs/dbraw/zinc/95/80/09/779958009.db2.gz UFRYPXBIIFBEFG-TZMCWYRMSA-N 1 2 342.403 0.180 20 30 ECEDLO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)C[C@H]21 ZINC001042273634 779958015 /nfs/dbraw/zinc/95/80/15/779958015.db2.gz UFRYPXBIIFBEFG-TZMCWYRMSA-N 1 2 342.403 0.180 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2nccs2)[C@@H](n2ccnn2)C1 ZINC001070159572 790786937 /nfs/dbraw/zinc/78/69/37/790786937.db2.gz IOVBRTXGLVZLCF-UTUOFQBUSA-N 1 2 331.405 0.436 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC(N(C)c2[nH+]cnc3c2cnn3C)CC1 ZINC001068653560 790806009 /nfs/dbraw/zinc/80/60/09/790806009.db2.gz NAROKLRQQZYXLQ-NSHDSACASA-N 1 2 327.392 0.950 20 30 ECEDLO C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001042801302 780846008 /nfs/dbraw/zinc/84/60/08/780846008.db2.gz JNHQCLCEVPUZJP-ZIAGYGMSSA-N 1 2 344.415 0.017 20 30 ECEDLO C#CCCCC(=O)NCC1(O)CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001042807799 780859767 /nfs/dbraw/zinc/85/97/67/780859767.db2.gz YVRBMCUFYVIWTK-UHFFFAOYSA-N 1 2 346.431 0.420 20 30 ECEDLO C#CCCCCCC(=O)N1CC(O)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001042829072 780902825 /nfs/dbraw/zinc/90/28/25/780902825.db2.gz CMXJMMXNJUMKEN-UHFFFAOYSA-N 1 2 346.431 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784661361 /nfs/dbraw/zinc/66/13/61/784661361.db2.gz XPAYZVPILOQORU-DZGCQCFKSA-N 1 2 339.827 0.722 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1nccn1)C[C@H](C)O2 ZINC001071174415 784661364 /nfs/dbraw/zinc/66/13/64/784661364.db2.gz XPAYZVPILOQORU-DZGCQCFKSA-N 1 2 339.827 0.722 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C(C)(C)F)C1 ZINC001070900756 784809286 /nfs/dbraw/zinc/80/92/86/784809286.db2.gz WUONDUFCMDSCQQ-MCIONIFRSA-N 1 2 337.395 0.864 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C(C)(C)F)C1 ZINC001070900756 784809294 /nfs/dbraw/zinc/80/92/94/784809294.db2.gz WUONDUFCMDSCQQ-MCIONIFRSA-N 1 2 337.395 0.864 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)C[C@@H]3CCCO3)C2)C(=O)C1 ZINC001071252906 784842234 /nfs/dbraw/zinc/84/22/34/784842234.db2.gz AWVLDVKBRZYDQC-IRXDYDNUSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)C[C@@H]3CCCO3)C2)C(=O)C1 ZINC001071252906 784842239 /nfs/dbraw/zinc/84/22/39/784842239.db2.gz AWVLDVKBRZYDQC-IRXDYDNUSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CCOC3)C2)C(=O)C1 ZINC001071255029 784849702 /nfs/dbraw/zinc/84/97/02/784849702.db2.gz CNQNFRODJPKOIG-CVEARBPZSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CCOC3)C2)C(=O)C1 ZINC001071255029 784849706 /nfs/dbraw/zinc/84/97/06/784849706.db2.gz CNQNFRODJPKOIG-CVEARBPZSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@H]3CCCCO3)C2)C(=O)C1 ZINC001071262659 784877165 /nfs/dbraw/zinc/87/71/65/784877165.db2.gz PXZVXGWRBYPZJE-DLBZAZTESA-N 1 2 347.459 0.714 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@H]3CCCCO3)C2)C(=O)C1 ZINC001071262659 784877175 /nfs/dbraw/zinc/87/71/75/784877175.db2.gz PXZVXGWRBYPZJE-DLBZAZTESA-N 1 2 347.459 0.714 20 30 ECEDLO COC[C@H](C)[N@@H+]1CCN([C@H]2CCCN(C(=O)C#CC3CC3)C2)C(=O)C1 ZINC001071264367 784884217 /nfs/dbraw/zinc/88/42/17/784884217.db2.gz UTVZEXCGUVQHQY-RDJZCZTQSA-N 1 2 347.459 0.570 20 30 ECEDLO COC[C@H](C)[N@H+]1CCN([C@H]2CCCN(C(=O)C#CC3CC3)C2)C(=O)C1 ZINC001071264367 784884222 /nfs/dbraw/zinc/88/42/22/784884222.db2.gz UTVZEXCGUVQHQY-RDJZCZTQSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@H](OC)C(C)C)C2)C(=O)C1 ZINC001071272357 784906917 /nfs/dbraw/zinc/90/69/17/784906917.db2.gz MNRPVUFWNWQGHB-FUHWJXTLSA-N 1 2 349.475 0.816 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@H](OC)C(C)C)C2)C(=O)C1 ZINC001071272357 784906920 /nfs/dbraw/zinc/90/69/20/784906920.db2.gz MNRPVUFWNWQGHB-FUHWJXTLSA-N 1 2 349.475 0.816 20 30 ECEDLO C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001071873872 785251503 /nfs/dbraw/zinc/25/15/03/785251503.db2.gz CKAHYTBZXQEPMZ-FZMZJTMJSA-N 1 2 340.387 0.819 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1C ZINC001071661648 785473161 /nfs/dbraw/zinc/47/31/61/785473161.db2.gz MVDQEEVIDFZLOL-GXFFZTMASA-N 1 2 335.433 0.481 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3cnnn3C)C2)cn1 ZINC001072002728 785509925 /nfs/dbraw/zinc/50/99/25/785509925.db2.gz NYJPOBLUTCALRV-CJNGLKHVSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3cnnn3C)C2)cn1 ZINC001072002728 785509934 /nfs/dbraw/zinc/50/99/34/785509934.db2.gz NYJPOBLUTCALRV-CJNGLKHVSA-N 1 2 338.415 0.974 20 30 ECEDLO C=CCCOCC(=O)N1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001072336741 786042003 /nfs/dbraw/zinc/04/20/03/786042003.db2.gz NHCHBZPSGARKGZ-GDBMZVCRSA-N 1 2 348.447 0.909 20 30 ECEDLO C=CCCOCC(=O)N[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001072510266 786301906 /nfs/dbraw/zinc/30/19/06/786301906.db2.gz LDHNVTRSKGKTHP-CABCVRRESA-N 1 2 348.447 0.909 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1NC(=O)C#CC1CC1 ZINC001072515697 786314395 /nfs/dbraw/zinc/31/43/95/786314395.db2.gz KFVUNNWHUWIOHW-CJNGLKHVSA-N 1 2 328.416 0.729 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnc(N(C)C)cn3)C[C@@H]21 ZINC001074244884 786499215 /nfs/dbraw/zinc/49/92/15/786499215.db2.gz KRUYOVHHJMUVBD-HOTGVXAUSA-N 1 2 343.431 0.481 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnc(N(C)C)cn3)C[C@@H]21 ZINC001074244884 786499219 /nfs/dbraw/zinc/49/92/19/786499219.db2.gz KRUYOVHHJMUVBD-HOTGVXAUSA-N 1 2 343.431 0.481 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc4n[nH]nc4n3)C[C@@H]21 ZINC001074260704 786536796 /nfs/dbraw/zinc/53/67/96/786536796.db2.gz YTIYAFGOQMAGHR-GJZGRUSLSA-N 1 2 340.387 0.292 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc4n[nH]nc4n3)C[C@@H]21 ZINC001074260704 786536799 /nfs/dbraw/zinc/53/67/99/786536799.db2.gz YTIYAFGOQMAGHR-GJZGRUSLSA-N 1 2 340.387 0.292 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C[C@H]21 ZINC001074268262 786550303 /nfs/dbraw/zinc/55/03/03/786550303.db2.gz HEYAHXBBCMBMGK-CABCVRRESA-N 1 2 332.404 0.272 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C[C@H]21 ZINC001074268262 786550308 /nfs/dbraw/zinc/55/03/08/786550308.db2.gz HEYAHXBBCMBMGK-CABCVRRESA-N 1 2 332.404 0.272 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnc4n[nH]cc4c3)C[C@H]21 ZINC001074276463 786569401 /nfs/dbraw/zinc/56/94/01/786569401.db2.gz NLBPYDRBUCHEMG-CVEARBPZSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnc4n[nH]cc4c3)C[C@H]21 ZINC001074276463 786569406 /nfs/dbraw/zinc/56/94/06/786569406.db2.gz NLBPYDRBUCHEMG-CVEARBPZSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCCN1CCO[C@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]21 ZINC001074282067 786583486 /nfs/dbraw/zinc/58/34/86/786583486.db2.gz LJOAMVCFCIORIN-IRXDYDNUSA-N 1 2 346.431 0.675 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3cc(C)nn3C)C[C@@H]21 ZINC001074296127 786619807 /nfs/dbraw/zinc/61/98/07/786619807.db2.gz BKHJCIVTXPGMIV-DLBZAZTESA-N 1 2 330.432 0.596 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3cc(C)nn3C)C[C@@H]21 ZINC001074296127 786619812 /nfs/dbraw/zinc/61/98/12/786619812.db2.gz BKHJCIVTXPGMIV-DLBZAZTESA-N 1 2 330.432 0.596 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCc3nccn3C)C[C@@H]21 ZINC001074302091 786631461 /nfs/dbraw/zinc/63/14/61/786631461.db2.gz LDFSGSFSXLFIMQ-HOTGVXAUSA-N 1 2 330.432 0.678 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCc3nccn3C)C[C@@H]21 ZINC001074302091 786631468 /nfs/dbraw/zinc/63/14/68/786631468.db2.gz LDFSGSFSXLFIMQ-HOTGVXAUSA-N 1 2 330.432 0.678 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccn4nnnc4c3)C[C@@H]21 ZINC001074315405 786657945 /nfs/dbraw/zinc/65/79/45/786657945.db2.gz VRCDUDZTEUSSTP-GJZGRUSLSA-N 1 2 340.387 0.063 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccn4nnnc4c3)C[C@@H]21 ZINC001074315405 786657952 /nfs/dbraw/zinc/65/79/52/786657952.db2.gz VRCDUDZTEUSSTP-GJZGRUSLSA-N 1 2 340.387 0.063 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H]3OCC[N@@H+](CCCO)[C@H]3C2)c1 ZINC001074335945 786699020 /nfs/dbraw/zinc/69/90/20/786699020.db2.gz HSJXNPONSZZNCQ-DLBZAZTESA-N 1 2 329.400 0.361 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H]3OCC[N@H+](CCCO)[C@H]3C2)c1 ZINC001074335945 786699024 /nfs/dbraw/zinc/69/90/24/786699024.db2.gz HSJXNPONSZZNCQ-DLBZAZTESA-N 1 2 329.400 0.361 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3nnn(CC)c3CC)C[C@@H]21 ZINC001074338818 786705019 /nfs/dbraw/zinc/70/50/19/786705019.db2.gz NYMJBCJEVQGLSN-JKSUJKDBSA-N 1 2 345.447 0.799 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3nnn(CC)c3CC)C[C@@H]21 ZINC001074338818 786705027 /nfs/dbraw/zinc/70/50/27/786705027.db2.gz NYMJBCJEVQGLSN-JKSUJKDBSA-N 1 2 345.447 0.799 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(CCC=C)nn3)C[C@H]21 ZINC001074353834 786738101 /nfs/dbraw/zinc/73/81/01/786738101.db2.gz HIIUFNMKSRYNQA-SJORKVTESA-N 1 2 343.431 0.793 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(CCC=C)nn3)C[C@H]21 ZINC001074353834 786738110 /nfs/dbraw/zinc/73/81/10/786738110.db2.gz HIIUFNMKSRYNQA-SJORKVTESA-N 1 2 343.431 0.793 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(CC)nn3C)C[C@@H]21 ZINC001074366957 786771910 /nfs/dbraw/zinc/77/19/10/786771910.db2.gz ZNEIZGCDGILFJM-DLBZAZTESA-N 1 2 330.432 0.921 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(CC)nn3C)C[C@@H]21 ZINC001074366957 786771917 /nfs/dbraw/zinc/77/19/17/786771917.db2.gz ZNEIZGCDGILFJM-DLBZAZTESA-N 1 2 330.432 0.921 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnc(OC)nc3)C[C@H]21 ZINC001074376786 786796837 /nfs/dbraw/zinc/79/68/37/786796837.db2.gz AGTGMSSKWSASPP-HUUCEWRRSA-N 1 2 330.388 0.424 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnc(OC)nc3)C[C@H]21 ZINC001074376786 786796845 /nfs/dbraw/zinc/79/68/45/786796845.db2.gz AGTGMSSKWSASPP-HUUCEWRRSA-N 1 2 330.388 0.424 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3c4c(nn3C)CCC4)C[C@H]21 ZINC001074381876 786811487 /nfs/dbraw/zinc/81/14/87/786811487.db2.gz ARDTZISXSXIOAV-IAGOWNOFSA-N 1 2 342.443 0.847 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c4c(nn3C)CCC4)C[C@H]21 ZINC001074381876 786811496 /nfs/dbraw/zinc/81/14/96/786811496.db2.gz ARDTZISXSXIOAV-IAGOWNOFSA-N 1 2 342.443 0.847 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001073636655 786834226 /nfs/dbraw/zinc/83/42/26/786834226.db2.gz CSQAYKIECAKNKG-GFCCVEGCSA-N 1 2 340.811 0.849 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001073636655 786834234 /nfs/dbraw/zinc/83/42/34/786834234.db2.gz CSQAYKIECAKNKG-GFCCVEGCSA-N 1 2 340.811 0.849 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnn(CCOC)c3)C[C@@H]21 ZINC001074395501 786844481 /nfs/dbraw/zinc/84/44/81/786844481.db2.gz SPSGQMHQSARMMV-IRXDYDNUSA-N 1 2 346.431 0.468 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnn(CCOC)c3)C[C@@H]21 ZINC001074395501 786844495 /nfs/dbraw/zinc/84/44/95/786844495.db2.gz SPSGQMHQSARMMV-IRXDYDNUSA-N 1 2 346.431 0.468 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C[C@H]21 ZINC001074401113 786859303 /nfs/dbraw/zinc/85/93/03/786859303.db2.gz YPPATIBNPRHSEN-CABCVRRESA-N 1 2 332.404 0.272 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C[C@H]21 ZINC001074401113 786859312 /nfs/dbraw/zinc/85/93/12/786859312.db2.gz YPPATIBNPRHSEN-CABCVRRESA-N 1 2 332.404 0.272 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C[C@H]21 ZINC001074414790 786911382 /nfs/dbraw/zinc/91/13/82/786911382.db2.gz FKBQBFGQNJMXTO-UKRRQHHQSA-N 1 2 334.420 0.215 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C[C@H]21 ZINC001074414790 786911390 /nfs/dbraw/zinc/91/13/90/786911390.db2.gz FKBQBFGQNJMXTO-UKRRQHHQSA-N 1 2 334.420 0.215 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2CCCO[C@H](CNC(=O)c3cn[nH]n3)C2)c1 ZINC001073674640 786940975 /nfs/dbraw/zinc/94/09/75/786940975.db2.gz JIDUTBRURARBPT-OAHLLOKOSA-N 1 2 340.387 0.697 20 30 ECEDLO N#Cc1cccc(C[N@H+]2CCCO[C@H](CNC(=O)c3cn[nH]n3)C2)c1 ZINC001073674640 786940980 /nfs/dbraw/zinc/94/09/80/786940980.db2.gz JIDUTBRURARBPT-OAHLLOKOSA-N 1 2 340.387 0.697 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2CCCO[C@H](CNC(=O)c3cnn[nH]3)C2)c1 ZINC001073674640 786940985 /nfs/dbraw/zinc/94/09/85/786940985.db2.gz JIDUTBRURARBPT-OAHLLOKOSA-N 1 2 340.387 0.697 20 30 ECEDLO N#Cc1cccc(C[N@H+]2CCCO[C@H](CNC(=O)c3cnn[nH]3)C2)c1 ZINC001073674640 786940990 /nfs/dbraw/zinc/94/09/90/786940990.db2.gz JIDUTBRURARBPT-OAHLLOKOSA-N 1 2 340.387 0.697 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001073703805 787008543 /nfs/dbraw/zinc/00/85/43/787008543.db2.gz YMQFESPJQIULRB-GFCCVEGCSA-N 1 2 340.811 0.354 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001073703805 787008552 /nfs/dbraw/zinc/00/85/52/787008552.db2.gz YMQFESPJQIULRB-GFCCVEGCSA-N 1 2 340.811 0.354 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCCO[C@@H](CNC(=O)c2cnon2)C1 ZINC001073827939 787290173 /nfs/dbraw/zinc/29/01/73/787290173.db2.gz BDZOYYVLSBLSRM-HNNXBMFYSA-N 1 2 341.371 0.962 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCCO[C@@H](CNC(=O)c2cnon2)C1 ZINC001073827939 787290180 /nfs/dbraw/zinc/29/01/80/787290180.db2.gz BDZOYYVLSBLSRM-HNNXBMFYSA-N 1 2 341.371 0.962 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001073886417 787437490 /nfs/dbraw/zinc/43/74/90/787437490.db2.gz NVAZUVHPQVSICA-LBPRGKRZSA-N 1 2 340.811 0.687 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001073886417 787437494 /nfs/dbraw/zinc/43/74/94/787437494.db2.gz NVAZUVHPQVSICA-LBPRGKRZSA-N 1 2 340.811 0.687 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001073904906 787489198 /nfs/dbraw/zinc/48/91/98/787489198.db2.gz PVHZCCXHDRSSQU-GFCCVEGCSA-N 1 2 342.827 0.297 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001073904906 787489200 /nfs/dbraw/zinc/48/92/00/787489200.db2.gz PVHZCCXHDRSSQU-GFCCVEGCSA-N 1 2 342.827 0.297 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001073959704 787585388 /nfs/dbraw/zinc/58/53/88/787585388.db2.gz HEXNJGXMUZWYFL-JKSUJKDBSA-N 1 2 346.431 0.666 20 30 ECEDLO CC(C)C#CC(=O)NCC1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001074758662 787772972 /nfs/dbraw/zinc/77/29/72/787772972.db2.gz FJWHVCLJLRKMEN-UHFFFAOYSA-N 1 2 332.404 0.081 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001074759315 787775029 /nfs/dbraw/zinc/77/50/29/787775029.db2.gz RLPDZZAUMRLBFZ-UONOGXRCSA-N 1 2 348.447 0.880 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001074089727 787852800 /nfs/dbraw/zinc/85/28/00/787852800.db2.gz HJKHKRZCMOJJKD-UKRRQHHQSA-N 1 2 346.431 0.654 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC001074089725 787852895 /nfs/dbraw/zinc/85/28/95/787852895.db2.gz HJKHKRZCMOJJKD-DZGCQCFKSA-N 1 2 346.431 0.654 20 30 ECEDLO N#CCN1CC[NH+](Cc2ccc(CNC(=O)c3nnc[nH]3)cc2)CC1 ZINC001074115925 787904331 /nfs/dbraw/zinc/90/43/31/787904331.db2.gz TZPJEYJGJXSDTR-UHFFFAOYSA-N 1 2 339.403 0.376 20 30 ECEDLO N#CCN1CC[NH+](Cc2ccc(CNC(=O)c3ncn[nH]3)cc2)CC1 ZINC001074115925 787904338 /nfs/dbraw/zinc/90/43/38/787904338.db2.gz TZPJEYJGJXSDTR-UHFFFAOYSA-N 1 2 339.403 0.376 20 30 ECEDLO N#CCN1CC[NH+](Cc2ccc(CNC(=O)c3nc[nH]n3)cc2)CC1 ZINC001074115925 787904345 /nfs/dbraw/zinc/90/43/45/787904345.db2.gz TZPJEYJGJXSDTR-UHFFFAOYSA-N 1 2 339.403 0.376 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001074990647 788678103 /nfs/dbraw/zinc/67/81/03/788678103.db2.gz JKERBRSRANVIQZ-HUUCEWRRSA-N 1 2 332.404 0.419 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001074991351 788679936 /nfs/dbraw/zinc/67/99/36/788679936.db2.gz SUJRGRIMMQWGMT-HUUCEWRRSA-N 1 2 346.431 0.878 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001074991351 788679945 /nfs/dbraw/zinc/67/99/45/788679945.db2.gz SUJRGRIMMQWGMT-HUUCEWRRSA-N 1 2 346.431 0.878 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001075083860 788874506 /nfs/dbraw/zinc/87/45/06/788874506.db2.gz NCHVIGMOVLEFJI-HZPDHXFCSA-N 1 2 346.431 0.809 20 30 ECEDLO N#CCN[C@H]1CCCO[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001075417741 789346350 /nfs/dbraw/zinc/34/63/50/789346350.db2.gz OFRIZDYRUFJJSE-DOTOQJQBSA-N 1 2 331.420 0.782 20 30 ECEDLO COc1coc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)cc1=O ZINC001075616094 789574971 /nfs/dbraw/zinc/57/49/71/789574971.db2.gz JIHWKBUVQGHRFM-MBNYWOFBSA-N 1 2 331.372 0.841 20 30 ECEDLO COc1coc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C#N)[C@@H]3C2)cc1=O ZINC001075616094 789574976 /nfs/dbraw/zinc/57/49/76/789574976.db2.gz JIHWKBUVQGHRFM-MBNYWOFBSA-N 1 2 331.372 0.841 20 30 ECEDLO N#Cc1nccc(N2CC[C@]3(NC(=O)Cc4c[nH]c[nH+]4)CCC[C@H]23)n1 ZINC001069291403 789735678 /nfs/dbraw/zinc/73/56/78/789735678.db2.gz LSEMBYUSDBLFQQ-SUMWQHHRSA-N 1 2 337.387 0.932 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC001073392952 789784421 /nfs/dbraw/zinc/78/44/21/789784421.db2.gz BPUOBVKWNYDLFN-KBPBESRZSA-N 1 2 346.431 0.734 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1c1ccnc(C#N)n1 ZINC001069383326 789789330 /nfs/dbraw/zinc/78/93/30/789789330.db2.gz HSACUTSRRVAONP-NEPJUHHUSA-N 1 2 325.376 0.788 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](CNc2ccnc(C#N)n2)C1 ZINC001069478452 789851592 /nfs/dbraw/zinc/85/15/92/789851592.db2.gz QPJNRGFEWRCXAS-CHWSQXEVSA-N 1 2 339.403 0.741 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1C[C@@H](Nc2cnc(C#N)cn2)C(C)(C)C1 ZINC001069577991 789914323 /nfs/dbraw/zinc/91/43/23/789914323.db2.gz QGVVLXFKUDRPTG-CQSZACIVSA-N 1 2 339.403 0.973 20 30 ECEDLO C#CC[NH2+][C@H]1CCN(c2cccc(CNC(=O)c3[nH]ncc3F)n2)C1 ZINC001069840296 790073990 /nfs/dbraw/zinc/07/39/90/790073990.db2.gz WWASRWMNEIWMOR-ZDUSSCGKSA-N 1 2 342.378 0.675 20 30 ECEDLO CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](n2ccnn2)C1 ZINC001069911448 790180129 /nfs/dbraw/zinc/18/01/29/790180129.db2.gz PYGOXKSXJKCHAW-DFBGVHRSSA-N 1 2 345.382 0.881 20 30 ECEDLO CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](n2ccnn2)C1 ZINC001069911448 790180131 /nfs/dbraw/zinc/18/01/31/790180131.db2.gz PYGOXKSXJKCHAW-DFBGVHRSSA-N 1 2 345.382 0.881 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2c(C)[nH]nc2Cl)[C@@H](n2ccnn2)C1 ZINC001069943153 790220235 /nfs/dbraw/zinc/22/02/35/790220235.db2.gz DODNOENCOGYEMH-MNOVXSKESA-N 1 2 335.799 0.804 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2c(C)[nH]nc2Cl)[C@@H](n2ccnn2)C1 ZINC001069943153 790220239 /nfs/dbraw/zinc/22/02/39/790220239.db2.gz DODNOENCOGYEMH-MNOVXSKESA-N 1 2 335.799 0.804 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2c(C)nnn2CC)[C@@H](n2ccnn2)C1 ZINC001069945572 790224072 /nfs/dbraw/zinc/22/40/72/790224072.db2.gz PVGDUMOAFACOJW-OLZOCXBDSA-N 1 2 330.396 0.039 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2c(C)nnn2CC)[C@@H](n2ccnn2)C1 ZINC001069945572 790224076 /nfs/dbraw/zinc/22/40/76/790224076.db2.gz PVGDUMOAFACOJW-OLZOCXBDSA-N 1 2 330.396 0.039 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c3c[nH]nc3ccc2C)[C@@H](n2ccnn2)C1 ZINC001069965796 790251970 /nfs/dbraw/zinc/25/19/70/790251970.db2.gz GVGYMWPTKXAVEI-CVEARBPZSA-N 1 2 349.398 0.751 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c3c[nH]nc3ccc2C)[C@@H](n2ccnn2)C1 ZINC001069965796 790251975 /nfs/dbraw/zinc/25/19/75/790251975.db2.gz GVGYMWPTKXAVEI-CVEARBPZSA-N 1 2 349.398 0.751 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001068839560 791236381 /nfs/dbraw/zinc/23/63/81/791236381.db2.gz QSKTVDFPAVTKQJ-AWEZNQCLSA-N 1 2 330.388 0.242 20 30 ECEDLO C=CCCC(=O)N1CC2(C1)C[C@@H](NC(=O)Cc1c[nH+]cn1C)CO2 ZINC001068935813 791455684 /nfs/dbraw/zinc/45/56/84/791455684.db2.gz UUZAHYDQLMGTRZ-CYBMUJFWSA-N 1 2 332.404 0.415 20 30 ECEDLO C=CC(C)(C)C(=O)N[C@@H]1COC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001068949439 791486959 /nfs/dbraw/zinc/48/69/59/791486959.db2.gz DCWXACKOROXLGR-ZDUSSCGKSA-N 1 2 332.404 0.651 20 30 ECEDLO N#Cc1cnc(N2CCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)cn1 ZINC001066758789 792115336 /nfs/dbraw/zinc/11/53/36/792115336.db2.gz JWVUIETWFNRCQN-GFCCVEGCSA-N 1 2 325.376 0.789 20 30 ECEDLO N#Cc1nccc(N2CCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC001066758545 792115419 /nfs/dbraw/zinc/11/54/19/792115419.db2.gz HTQCZSWIUQMGDB-LBPRGKRZSA-N 1 2 325.376 0.789 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1[nH]nnc1C ZINC001067709315 792164968 /nfs/dbraw/zinc/16/49/68/792164968.db2.gz NTHPKOQKGPFPHH-AWEZNQCLSA-N 1 2 346.435 0.131 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)c1[nH]nnc1C ZINC001067709315 792164972 /nfs/dbraw/zinc/16/49/72/792164972.db2.gz NTHPKOQKGPFPHH-AWEZNQCLSA-N 1 2 346.435 0.131 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1)c1nccnc1C#N ZINC001067771801 792260870 /nfs/dbraw/zinc/26/08/70/792260870.db2.gz GBJJXEFENWUQKN-LBPRGKRZSA-N 1 2 325.376 0.741 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)CC[C@@H]1C ZINC001067962835 792512784 /nfs/dbraw/zinc/51/27/84/792512784.db2.gz GCAUCCROOABNFO-XHDPSFHLSA-N 1 2 339.403 0.954 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[C@H](C)[C@@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001067966134 792518365 /nfs/dbraw/zinc/51/83/65/792518365.db2.gz WCDYVHPRTGDQQA-WFASDCNBSA-N 1 2 339.403 0.884 20 30 ECEDLO C[C@@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067966675 792519837 /nfs/dbraw/zinc/51/98/37/792519837.db2.gz FBLFKOCBOULCRD-NEPJUHHUSA-N 1 2 325.376 0.645 20 30 ECEDLO Cc1nc(N(C)C)nc(N[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)[nH+]1 ZINC001067089608 792687386 /nfs/dbraw/zinc/68/73/86/792687386.db2.gz LWTJMWGVLXEHEY-RISCZKNCSA-N 1 2 328.420 0.918 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CN(c2ccnc(C#N)n2)CC1(C)C ZINC001068116853 792698968 /nfs/dbraw/zinc/69/89/68/792698968.db2.gz JJCQGOVCSRKULV-ZDUSSCGKSA-N 1 2 339.403 0.655 20 30 ECEDLO CC1(C)CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001068119838 792705115 /nfs/dbraw/zinc/70/51/15/792705115.db2.gz YXYUXGPXTGSROC-GFCCVEGCSA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1Nc1ccnc(C#N)n1 ZINC001067168486 792771740 /nfs/dbraw/zinc/77/17/40/792771740.db2.gz LDPAMODMJFRXGR-QWHCGFSZSA-N 1 2 347.382 0.990 20 30 ECEDLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1Nc1nccnc1C#N ZINC001067174794 792776632 /nfs/dbraw/zinc/77/66/32/792776632.db2.gz KYNRYDUYJIJOGO-OCCSQVGLSA-N 1 2 325.376 0.894 20 30 ECEDLO CN(CCCN(C)C(=O)c1c[nH]c(C#N)c1)C(=O)Cc1[nH]cc[nH+]1 ZINC001067239493 792867803 /nfs/dbraw/zinc/86/78/03/792867803.db2.gz ZQDMCLPMEIPTNJ-UHFFFAOYSA-N 1 2 328.376 0.773 20 30 ECEDLO C[C@@H](Nc1nccnc1C#N)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001068234608 792886166 /nfs/dbraw/zinc/88/61/66/792886166.db2.gz JANMQEIBWAOWRD-OCCSQVGLSA-N 1 2 341.375 0.273 20 30 ECEDLO C[C@@H]1C[C@H](CNc2ccc(C#N)nn2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001068349070 793098280 /nfs/dbraw/zinc/09/82/80/793098280.db2.gz WNPYATWIHMYOLB-VXGBXAGGSA-N 1 2 325.376 0.963 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C[C@@H]1C ZINC001067408471 793114209 /nfs/dbraw/zinc/11/42/09/793114209.db2.gz UOHRMKYXDJFSER-SMDDNHRTSA-N 1 2 339.403 0.954 20 30 ECEDLO CC(C)C#CC(=O)N1CCOC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001068395365 793203187 /nfs/dbraw/zinc/20/31/87/793203187.db2.gz YTMCBVFMZRPWTC-UHFFFAOYSA-N 1 2 330.388 0.051 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2ccn(C)n2)C1 ZINC001267496395 837567230 /nfs/dbraw/zinc/56/72/30/837567230.db2.gz RZMZPEDQCXOZES-CQSZACIVSA-N 1 2 331.420 0.096 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccn(C)n2)C1 ZINC001267496395 837567233 /nfs/dbraw/zinc/56/72/33/837567233.db2.gz RZMZPEDQCXOZES-CQSZACIVSA-N 1 2 331.420 0.096 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCNC(=O)C1CC1 ZINC001267530073 837701992 /nfs/dbraw/zinc/70/19/92/837701992.db2.gz KNWWBGGVBNLNMK-BMFZPTHFSA-N 1 2 333.432 0.226 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCNC(=O)C1CC1 ZINC001267530073 837701997 /nfs/dbraw/zinc/70/19/97/837701997.db2.gz KNWWBGGVBNLNMK-BMFZPTHFSA-N 1 2 333.432 0.226 20 30 ECEDLO C#CC[NH+]1CCN(CCN(C)C(=O)C[C@@H](C)c2cnn(C)c2)CC1 ZINC001267572991 837812456 /nfs/dbraw/zinc/81/24/56/837812456.db2.gz FCZRDAOJECIPHM-MRXNPFEDSA-N 1 2 331.464 0.623 20 30 ECEDLO CC[C@H](C)CC(=O)N(C)CC[NH+]1CCN(CC(=O)NCC#N)CC1 ZINC001267572726 837812639 /nfs/dbraw/zinc/81/26/39/837812639.db2.gz UYJDOWZRLMIVMM-HNNXBMFYSA-N 1 2 337.468 0.138 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)c1cnc(C2CC2)[nH]c1=O ZINC001267575517 837827363 /nfs/dbraw/zinc/82/73/63/837827363.db2.gz DZIAMLHZNBVFQG-UHFFFAOYSA-N 1 2 344.419 0.273 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(CCNC(=O)c2cc(C)no2)CC1 ZINC001266279232 835606597 /nfs/dbraw/zinc/60/65/97/835606597.db2.gz JBHDWNWKNGCBAP-CQSZACIVSA-N 1 2 349.435 0.021 20 30 ECEDLO CC(C)C#CC(=O)NCC[NH+]1CCN(Cc2nnc(C(C)C)[nH]2)CC1 ZINC001266283237 835614301 /nfs/dbraw/zinc/61/43/01/835614301.db2.gz JUEDOHJQPUELEC-UHFFFAOYSA-N 1 2 346.479 0.821 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCCN1CC[NH+](Cc2conc2C)CC1 ZINC001266283510 835614771 /nfs/dbraw/zinc/61/47/71/835614771.db2.gz PVNPJTGBXBSIJU-HNNXBMFYSA-N 1 2 334.420 0.255 20 30 ECEDLO N#CCN1CC[NH+](CCNC(=O)c2cn(-c3ccccc3)cn2)CC1 ZINC001266285641 835620227 /nfs/dbraw/zinc/62/02/27/835620227.db2.gz HTMWNEWMFBUWQL-UHFFFAOYSA-N 1 2 338.415 0.743 20 30 ECEDLO C=CC(C)(C)CC(=O)NCC[NH+]1CCN(Cc2cnnn2C)CC1 ZINC001266285736 835620627 /nfs/dbraw/zinc/62/06/27/835620627.db2.gz LCZVPBHTPRSRMY-UHFFFAOYSA-N 1 2 334.468 0.651 20 30 ECEDLO C[N@H+](CCNC(=O)Cc1ccc2c(c1)CCCO2)CC(=O)NCC#N ZINC001266286459 835623852 /nfs/dbraw/zinc/62/38/52/835623852.db2.gz NDZZNIBRIKJHDF-UHFFFAOYSA-N 1 2 344.415 0.242 20 30 ECEDLO C[N@@H+](CCNC(=O)Cc1ccc2c(c1)CCCO2)CC(=O)NCC#N ZINC001266286459 835623856 /nfs/dbraw/zinc/62/38/56/835623856.db2.gz NDZZNIBRIKJHDF-UHFFFAOYSA-N 1 2 344.415 0.242 20 30 ECEDLO N#CCN1CC[NH+](CCNC(=O)[C@@H]2COC[C@@H]2c2ccccc2)CC1 ZINC001266288464 835632031 /nfs/dbraw/zinc/63/20/31/835632031.db2.gz XUZYXOGVEJDSNE-QZTJIDSGSA-N 1 2 342.443 0.674 20 30 ECEDLO Cc1n[nH]c(C)c1C[C@H](C)C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001266297050 835645087 /nfs/dbraw/zinc/64/50/87/835645087.db2.gz JBBIRAIRZPBTJK-ZDUSSCGKSA-N 1 2 332.452 0.463 20 30 ECEDLO C#CCN1CC[NH+](CCNC(=O)Cc2csc3nccn23)CC1 ZINC001266297868 835649275 /nfs/dbraw/zinc/64/92/75/835649275.db2.gz WGILRQCKPFEPGY-UHFFFAOYSA-N 1 2 331.445 0.305 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cnc(C)cn2)C1 ZINC001266299304 835656071 /nfs/dbraw/zinc/65/60/71/835656071.db2.gz OTVQXTVGYVNMDV-HNNXBMFYSA-N 1 2 343.431 0.790 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnc(C)cn2)C1 ZINC001266299304 835656074 /nfs/dbraw/zinc/65/60/74/835656074.db2.gz OTVQXTVGYVNMDV-HNNXBMFYSA-N 1 2 343.431 0.790 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1CC[N@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC001266318011 835686643 /nfs/dbraw/zinc/68/66/43/835686643.db2.gz XMIXUPOAKFNCHF-UKRRQHHQSA-N 1 2 344.477 0.329 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1CC[N@@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC001266318011 835686651 /nfs/dbraw/zinc/68/66/51/835686651.db2.gz XMIXUPOAKFNCHF-UKRRQHHQSA-N 1 2 344.477 0.329 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CC[N@H+](CC(=O)NCc2ccco2)C1 ZINC001266319398 835688927 /nfs/dbraw/zinc/68/89/27/835688927.db2.gz LMCAFPVHIOEZLL-AWEZNQCLSA-N 1 2 333.388 0.126 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCc2ccco2)C1 ZINC001266319398 835688930 /nfs/dbraw/zinc/68/89/30/835688930.db2.gz LMCAFPVHIOEZLL-AWEZNQCLSA-N 1 2 333.388 0.126 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+](C)CC(=O)N1CCC(C)CC1 ZINC001266326386 835705196 /nfs/dbraw/zinc/70/51/96/835705196.db2.gz BIQXZSSKVGCDNM-CVEARBPZSA-N 1 2 337.464 0.884 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](C)CC(=O)N1CCC(C)CC1 ZINC001266326386 835705200 /nfs/dbraw/zinc/70/52/00/835705200.db2.gz BIQXZSSKVGCDNM-CVEARBPZSA-N 1 2 337.464 0.884 20 30 ECEDLO C=CCn1cc(C(=O)NCC[N@@H+](C)CC(=O)N2CCCCCC2)nn1 ZINC001266335110 835717612 /nfs/dbraw/zinc/71/76/12/835717612.db2.gz IRXKYZWAYPUZSD-UHFFFAOYSA-N 1 2 348.451 0.528 20 30 ECEDLO C=CCn1cc(C(=O)NCC[N@H+](C)CC(=O)N2CCCCCC2)nn1 ZINC001266335110 835717617 /nfs/dbraw/zinc/71/76/17/835717617.db2.gz IRXKYZWAYPUZSD-UHFFFAOYSA-N 1 2 348.451 0.528 20 30 ECEDLO Cc1cc(C)n(CCCC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)n1 ZINC001266344556 835732960 /nfs/dbraw/zinc/73/29/60/835732960.db2.gz JBFSARCRYCPIMJ-OAHLLOKOSA-N 1 2 346.435 0.110 20 30 ECEDLO Cc1cc(C)n(CCCC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)n1 ZINC001266344556 835732966 /nfs/dbraw/zinc/73/29/66/835732966.db2.gz JBFSARCRYCPIMJ-OAHLLOKOSA-N 1 2 346.435 0.110 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)CC)C2)nn1 ZINC001266348185 835741220 /nfs/dbraw/zinc/74/12/20/835741220.db2.gz XNXQLLWXPWKUEU-CYBMUJFWSA-N 1 2 334.424 0.137 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)CC)C2)nn1 ZINC001266348185 835741229 /nfs/dbraw/zinc/74/12/29/835741229.db2.gz XNXQLLWXPWKUEU-CYBMUJFWSA-N 1 2 334.424 0.137 20 30 ECEDLO C#Cc1ccccc1CC(=O)NCC[N@@H+](C)CC(=O)NCC1CC1 ZINC001266354609 835757176 /nfs/dbraw/zinc/75/71/76/835757176.db2.gz GGTOIHWFMLPFFW-UHFFFAOYSA-N 1 2 327.428 0.785 20 30 ECEDLO C#Cc1ccccc1CC(=O)NCC[N@H+](C)CC(=O)NCC1CC1 ZINC001266354609 835757187 /nfs/dbraw/zinc/75/71/87/835757187.db2.gz GGTOIHWFMLPFFW-UHFFFAOYSA-N 1 2 327.428 0.785 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn3ccccc3n2)C1 ZINC001266355313 835759215 /nfs/dbraw/zinc/75/92/15/835759215.db2.gz FSSYOSCLDXBBOL-CYBMUJFWSA-N 1 2 327.388 0.441 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn3ccccc3n2)C1 ZINC001266355313 835759221 /nfs/dbraw/zinc/75/92/21/835759221.db2.gz FSSYOSCLDXBBOL-CYBMUJFWSA-N 1 2 327.388 0.441 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)CCNC(=O)c1ccnc(C)n1 ZINC001266360019 835769533 /nfs/dbraw/zinc/76/95/33/835769533.db2.gz OCTMLSAOSRVBJG-UHFFFAOYSA-N 1 2 333.436 0.871 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)CCNC(=O)c1ccnc(C)n1 ZINC001266360019 835769537 /nfs/dbraw/zinc/76/95/37/835769537.db2.gz OCTMLSAOSRVBJG-UHFFFAOYSA-N 1 2 333.436 0.871 20 30 ECEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CC12CC[NH+](Cc1nnnn1C)CC2 ZINC001266366477 835778057 /nfs/dbraw/zinc/77/80/57/835778057.db2.gz TUZDJQCZKRGZEL-ZIAGYGMSSA-N 1 2 348.451 0.662 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1coc(C)c1 ZINC001266457807 835860488 /nfs/dbraw/zinc/86/04/88/835860488.db2.gz MVQGYBNPYWOGEX-CQSZACIVSA-N 1 2 348.403 0.794 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1coc(C)c1 ZINC001266457807 835860493 /nfs/dbraw/zinc/86/04/93/835860493.db2.gz MVQGYBNPYWOGEX-CQSZACIVSA-N 1 2 348.403 0.794 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001266494653 835894560 /nfs/dbraw/zinc/89/45/60/835894560.db2.gz VWDJUTFJIBOWOX-DBHDPKECSA-N 1 2 347.459 0.920 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001266494653 835894567 /nfs/dbraw/zinc/89/45/67/835894567.db2.gz VWDJUTFJIBOWOX-DBHDPKECSA-N 1 2 347.459 0.920 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001266553930 835980952 /nfs/dbraw/zinc/98/09/52/835980952.db2.gz YWWHJYLFUJQPIH-UONOGXRCSA-N 1 2 335.408 0.539 20 30 ECEDLO C=CCOCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnnn1C ZINC001266645832 836080564 /nfs/dbraw/zinc/08/05/64/836080564.db2.gz KWFFFTLOOYKSHK-GOOCMWNKSA-N 1 2 348.451 0.805 20 30 ECEDLO C=CCOCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnnn1C ZINC001266645832 836080572 /nfs/dbraw/zinc/08/05/72/836080572.db2.gz KWFFFTLOOYKSHK-GOOCMWNKSA-N 1 2 348.451 0.805 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CCOC ZINC001266826048 836351229 /nfs/dbraw/zinc/35/12/29/836351229.db2.gz NJNVEDRNRUODEN-CYBMUJFWSA-N 1 2 340.424 0.005 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCOC ZINC001266826048 836351242 /nfs/dbraw/zinc/35/12/42/836351242.db2.gz NJNVEDRNRUODEN-CYBMUJFWSA-N 1 2 340.424 0.005 20 30 ECEDLO C#CCOCCC(=O)N[C@H](C)[C@H]1CCC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC001266890019 836438720 /nfs/dbraw/zinc/43/87/20/836438720.db2.gz IBPCFOCOMTVKJM-HIFRSBDPSA-N 1 2 333.436 0.870 20 30 ECEDLO C#CCOCCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC001266890019 836438726 /nfs/dbraw/zinc/43/87/26/836438726.db2.gz IBPCFOCOMTVKJM-HIFRSBDPSA-N 1 2 333.436 0.870 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@@H]([NH2+]Cc2nc(CCOC)no2)C1 ZINC001267008913 836607840 /nfs/dbraw/zinc/60/78/40/836607840.db2.gz JGDLRNQBMKFHLT-MLGOLLRUSA-N 1 2 338.408 0.276 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1cnn2ccc(C)cc12 ZINC001267200441 836973665 /nfs/dbraw/zinc/97/36/65/836973665.db2.gz LEDRULKFKKSDJR-UHFFFAOYSA-N 1 2 327.388 0.054 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1cnn2ccc(C)cc12 ZINC001267200441 836973671 /nfs/dbraw/zinc/97/36/71/836973671.db2.gz LEDRULKFKKSDJR-UHFFFAOYSA-N 1 2 327.388 0.054 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cnc2n1CCCCC2 ZINC001267204351 836981960 /nfs/dbraw/zinc/98/19/60/836981960.db2.gz YNWVAMBPKWRHCC-UHFFFAOYSA-N 1 2 333.436 0.573 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cnc2n1CCCCC2 ZINC001267204351 836981968 /nfs/dbraw/zinc/98/19/68/836981968.db2.gz YNWVAMBPKWRHCC-UHFFFAOYSA-N 1 2 333.436 0.573 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001267210017 836998258 /nfs/dbraw/zinc/99/82/58/836998258.db2.gz WLGKTSVPZQACFJ-LSDHHAIUSA-N 1 2 349.381 0.866 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001267210017 836998272 /nfs/dbraw/zinc/99/82/72/836998272.db2.gz WLGKTSVPZQACFJ-LSDHHAIUSA-N 1 2 349.381 0.866 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@@H+](C)CC(=O)NCC(C)C ZINC001267220690 837012594 /nfs/dbraw/zinc/01/25/94/837012594.db2.gz CSHJTALCDGAMKY-HOCLYGCPSA-N 1 2 325.453 0.788 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@H+](C)CC(=O)NCC(C)C ZINC001267220690 837012597 /nfs/dbraw/zinc/01/25/97/837012597.db2.gz CSHJTALCDGAMKY-HOCLYGCPSA-N 1 2 325.453 0.788 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cnn(C)c1C(F)F ZINC001267226249 837023949 /nfs/dbraw/zinc/02/39/49/837023949.db2.gz PDSUAXMHYRNPMA-UHFFFAOYSA-N 1 2 329.351 0.322 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cnn(C)c1C(F)F ZINC001267226249 837023959 /nfs/dbraw/zinc/02/39/59/837023959.db2.gz PDSUAXMHYRNPMA-UHFFFAOYSA-N 1 2 329.351 0.322 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CCc1ccsc1 ZINC001267268571 837105303 /nfs/dbraw/zinc/10/53/03/837105303.db2.gz ASZLCQRYBKTNPG-CQSZACIVSA-N 1 2 334.445 0.901 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1ccsc1 ZINC001267268571 837105311 /nfs/dbraw/zinc/10/53/11/837105311.db2.gz ASZLCQRYBKTNPG-CQSZACIVSA-N 1 2 334.445 0.901 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ncnn2CCC)C1 ZINC001267292437 837143642 /nfs/dbraw/zinc/14/36/42/837143642.db2.gz AUZDTOSLHJBTSU-CABCVRRESA-N 1 2 333.436 0.665 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2ncnn2CCC)C1 ZINC001267292437 837143644 /nfs/dbraw/zinc/14/36/44/837143644.db2.gz AUZDTOSLHJBTSU-CABCVRRESA-N 1 2 333.436 0.665 20 30 ECEDLO Cc1noc2ncc(C(=O)N(C)CC[NH+]3CCN(CC#N)CC3)cc12 ZINC001267608767 837959463 /nfs/dbraw/zinc/95/94/63/837959463.db2.gz CAXHLHJXOFIFMD-UHFFFAOYSA-N 1 2 342.403 0.744 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccnc(OC)n2)C1 ZINC001267611706 837976586 /nfs/dbraw/zinc/97/65/86/837976586.db2.gz GHFNBXSEUMGNNE-DYVFJYSZSA-N 1 2 334.420 0.893 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccnc(OC)n2)C1 ZINC001267611706 837976591 /nfs/dbraw/zinc/97/65/91/837976591.db2.gz GHFNBXSEUMGNNE-DYVFJYSZSA-N 1 2 334.420 0.893 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)CCc3nnc[nH]3)C2)C1=O ZINC001267624275 838068286 /nfs/dbraw/zinc/06/82/86/838068286.db2.gz XYCPHJCJXMZUEF-KBPBESRZSA-N 1 2 346.435 0.105 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)CCc3nnc[nH]3)C2)C1=O ZINC001267624275 838068298 /nfs/dbraw/zinc/06/82/98/838068298.db2.gz XYCPHJCJXMZUEF-KBPBESRZSA-N 1 2 346.435 0.105 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)CCc3nc[nH]n3)C2)C1=O ZINC001267624275 838068310 /nfs/dbraw/zinc/06/83/10/838068310.db2.gz XYCPHJCJXMZUEF-KBPBESRZSA-N 1 2 346.435 0.105 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)CCc3nc[nH]n3)C2)C1=O ZINC001267624275 838068320 /nfs/dbraw/zinc/06/83/20/838068320.db2.gz XYCPHJCJXMZUEF-KBPBESRZSA-N 1 2 346.435 0.105 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)[C@@H]2CCCCO2)C1 ZINC001267626151 838076110 /nfs/dbraw/zinc/07/61/10/838076110.db2.gz NWQVKAWMYJGLGP-HOTGVXAUSA-N 1 2 349.475 0.912 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[C@@H]2CCCCO2)C1 ZINC001267626151 838076121 /nfs/dbraw/zinc/07/61/21/838076121.db2.gz NWQVKAWMYJGLGP-HOTGVXAUSA-N 1 2 349.475 0.912 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)c2ccc(C#C)nc2)C1 ZINC001267633766 838101500 /nfs/dbraw/zinc/10/15/00/838101500.db2.gz NYUIBJKFFWIBHW-YOEHRIQHSA-N 1 2 338.411 0.395 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2ccc(C#C)nc2)C1 ZINC001267633766 838101508 /nfs/dbraw/zinc/10/15/08/838101508.db2.gz NYUIBJKFFWIBHW-YOEHRIQHSA-N 1 2 338.411 0.395 20 30 ECEDLO COc1cccc(CC(=O)N[C@H]2CCC[N@H+](CC(=O)NCC#N)C2)c1 ZINC001267634327 838101569 /nfs/dbraw/zinc/10/15/69/838101569.db2.gz RJYMXUKRHIUFHR-HNNXBMFYSA-N 1 2 344.415 0.458 20 30 ECEDLO COc1cccc(CC(=O)N[C@H]2CCC[N@@H+](CC(=O)NCC#N)C2)c1 ZINC001267634327 838101577 /nfs/dbraw/zinc/10/15/77/838101577.db2.gz RJYMXUKRHIUFHR-HNNXBMFYSA-N 1 2 344.415 0.458 20 30 ECEDLO Cc1ccc(CC(=O)N[C@H]2CCC[N@H+](CC(=O)NCC#N)C2)cn1 ZINC001267634733 838103589 /nfs/dbraw/zinc/10/35/89/838103589.db2.gz MCUIEUKLZGAWCJ-HNNXBMFYSA-N 1 2 329.404 0.153 20 30 ECEDLO Cc1ccc(CC(=O)N[C@H]2CCC[N@@H+](CC(=O)NCC#N)C2)cn1 ZINC001267634733 838103593 /nfs/dbraw/zinc/10/35/93/838103593.db2.gz MCUIEUKLZGAWCJ-HNNXBMFYSA-N 1 2 329.404 0.153 20 30 ECEDLO C=CCCCC(=O)NC1C[NH+](C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001267657211 838167463 /nfs/dbraw/zinc/16/74/63/838167463.db2.gz MCUGWRLPRONJLP-CYBMUJFWSA-N 1 2 329.466 0.425 20 30 ECEDLO CCN(CCNC(=O)c1c[nH]c(C#N)c1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001408734220 838172046 /nfs/dbraw/zinc/17/20/46/838172046.db2.gz MJCDTXBWJZPSNJ-ZIAGYGMSSA-N 1 2 340.387 0.991 20 30 ECEDLO CCN(CCNC(=O)c1c[nH]c(C#N)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001408734220 838172050 /nfs/dbraw/zinc/17/20/50/838172050.db2.gz MJCDTXBWJZPSNJ-ZIAGYGMSSA-N 1 2 340.387 0.991 20 30 ECEDLO C=CCOCC[NH+]1CC(NC(=O)c2cccc(-n3cnnn3)c2)C1 ZINC001267669436 838196531 /nfs/dbraw/zinc/19/65/31/838196531.db2.gz ILNWRIYVFGLCCK-UHFFFAOYSA-N 1 2 328.376 0.279 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[NH+]1CC(CNC(=O)c2nccnc2N)C1 ZINC001267678222 838231915 /nfs/dbraw/zinc/23/19/15/838231915.db2.gz CAVBMFVFXCFANB-UHFFFAOYSA-N 1 2 346.435 0.145 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@H](OCC)C2CCCC2)C1 ZINC001267685923 838252856 /nfs/dbraw/zinc/25/28/56/838252856.db2.gz JJJSZRNGNQJTJV-RHSMWYFYSA-N 1 2 349.475 0.768 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)CC[C@H]2CCCCO2)C1 ZINC001267693933 838275600 /nfs/dbraw/zinc/27/56/00/838275600.db2.gz VXOZHIMDUTWDQS-GOEBONIOSA-N 1 2 335.448 0.522 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](OC)c1cnn(C)c1 ZINC001267710844 838325572 /nfs/dbraw/zinc/32/55/72/838325572.db2.gz AZGMVGNHDWUGBG-HRCADAONSA-N 1 2 332.404 0.043 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](OC)c1cnn(C)c1 ZINC001267710844 838325577 /nfs/dbraw/zinc/32/55/77/838325577.db2.gz AZGMVGNHDWUGBG-HRCADAONSA-N 1 2 332.404 0.043 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@H](C)c2c(C)n[nH]c2C)C1 ZINC001267725618 838395146 /nfs/dbraw/zinc/39/51/46/838395146.db2.gz UJFPVQIJPDLFOJ-WFASDCNBSA-N 1 2 345.447 0.460 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@H](C)c2c(C)n[nH]c2C)C1 ZINC001267725618 838395155 /nfs/dbraw/zinc/39/51/55/838395155.db2.gz UJFPVQIJPDLFOJ-WFASDCNBSA-N 1 2 345.447 0.460 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncc(OC)cc2F)C1 ZINC001267725741 838395671 /nfs/dbraw/zinc/39/56/71/838395671.db2.gz AJQBJKSHMDYWQV-NSHDSACASA-N 1 2 336.367 0.336 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncc(OC)cc2F)C1 ZINC001267725741 838395678 /nfs/dbraw/zinc/39/56/78/838395678.db2.gz AJQBJKSHMDYWQV-NSHDSACASA-N 1 2 336.367 0.336 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C2(CC)CCC2)C1 ZINC001267729224 838413679 /nfs/dbraw/zinc/41/36/79/838413679.db2.gz PSPONYRQKFYBHB-ZDUSSCGKSA-N 1 2 336.436 0.769 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(CC)CCC2)C1 ZINC001267729224 838413682 /nfs/dbraw/zinc/41/36/82/838413682.db2.gz PSPONYRQKFYBHB-ZDUSSCGKSA-N 1 2 336.436 0.769 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2c(C)nn(C)c2F)C1 ZINC001267734195 838426675 /nfs/dbraw/zinc/42/66/75/838426675.db2.gz XSZAQEJPZJRPJR-RYUDHWBXSA-N 1 2 337.399 0.362 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2c(C)nn(C)c2F)C1 ZINC001267734195 838426680 /nfs/dbraw/zinc/42/66/80/838426680.db2.gz XSZAQEJPZJRPJR-RYUDHWBXSA-N 1 2 337.399 0.362 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001267734848 838429116 /nfs/dbraw/zinc/42/91/16/838429116.db2.gz BNRLACRATGWLAW-YESZJQIVSA-N 1 2 343.402 0.869 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001267734848 838429119 /nfs/dbraw/zinc/42/91/19/838429119.db2.gz BNRLACRATGWLAW-YESZJQIVSA-N 1 2 343.402 0.869 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc3ccccc3o2)C1 ZINC001267746184 838451524 /nfs/dbraw/zinc/45/15/24/838451524.db2.gz BQPCYQYNNDFSSF-CQSZACIVSA-N 1 2 340.383 0.806 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cc3ccccc3o2)C1 ZINC001267746184 838451532 /nfs/dbraw/zinc/45/15/32/838451532.db2.gz BQPCYQYNNDFSSF-CQSZACIVSA-N 1 2 340.383 0.806 20 30 ECEDLO Cc1cc(=O)oc(C)c1C(=O)N(C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267767451 838504269 /nfs/dbraw/zinc/50/42/69/838504269.db2.gz JFFMHXODVLCZTG-ZDUSSCGKSA-N 1 2 346.387 0.043 20 30 ECEDLO Cc1cc(=O)oc(C)c1C(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267767451 838504278 /nfs/dbraw/zinc/50/42/78/838504278.db2.gz JFFMHXODVLCZTG-ZDUSSCGKSA-N 1 2 346.387 0.043 20 30 ECEDLO Cc1cnc(C(=O)N(C)[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)c(C)c1 ZINC001267769698 838516119 /nfs/dbraw/zinc/51/61/19/838516119.db2.gz ZCNLNHKUKLNDJS-CQSZACIVSA-N 1 2 329.404 0.485 20 30 ECEDLO Cc1cnc(C(=O)N(C)[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)c(C)c1 ZINC001267769698 838516124 /nfs/dbraw/zinc/51/61/24/838516124.db2.gz ZCNLNHKUKLNDJS-CQSZACIVSA-N 1 2 329.404 0.485 20 30 ECEDLO CCN(C(=O)[C@@H](C)OCC1CC1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267782439 838556026 /nfs/dbraw/zinc/55/60/26/838556026.db2.gz VSYGVKHUXUALFK-UKRRQHHQSA-N 1 2 336.436 0.364 20 30 ECEDLO CCN(C(=O)[C@@H](C)OCC1CC1)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267782439 838556031 /nfs/dbraw/zinc/55/60/31/838556031.db2.gz VSYGVKHUXUALFK-UKRRQHHQSA-N 1 2 336.436 0.364 20 30 ECEDLO CCc1cncc(C(=O)N(CC)[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)c1 ZINC001267788169 838565313 /nfs/dbraw/zinc/56/53/13/838565313.db2.gz RLRJSWSOSURJDP-MRXNPFEDSA-N 1 2 343.431 0.820 20 30 ECEDLO CCc1cncc(C(=O)N(CC)[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)c1 ZINC001267788169 838565319 /nfs/dbraw/zinc/56/53/19/838565319.db2.gz RLRJSWSOSURJDP-MRXNPFEDSA-N 1 2 343.431 0.820 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001267924861 838800985 /nfs/dbraw/zinc/80/09/85/838800985.db2.gz LCASHOCZXSECJI-JKSUJKDBSA-N 1 2 335.448 0.618 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001267924861 838800997 /nfs/dbraw/zinc/80/09/97/838800997.db2.gz LCASHOCZXSECJI-JKSUJKDBSA-N 1 2 335.448 0.618 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC001267931233 838813654 /nfs/dbraw/zinc/81/36/54/838813654.db2.gz NSONYECPUQSNLJ-ZIAGYGMSSA-N 1 2 343.431 0.160 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC001267931233 838813672 /nfs/dbraw/zinc/81/36/72/838813672.db2.gz NSONYECPUQSNLJ-ZIAGYGMSSA-N 1 2 343.431 0.160 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cc[nH]c2)C1 ZINC001267936828 838822647 /nfs/dbraw/zinc/82/26/47/838822647.db2.gz BURQVDFOQMMCDW-TZMCWYRMSA-N 1 2 347.419 0.609 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cc[nH]c2)C1 ZINC001267936828 838822653 /nfs/dbraw/zinc/82/26/53/838822653.db2.gz BURQVDFOQMMCDW-TZMCWYRMSA-N 1 2 347.419 0.609 20 30 ECEDLO COCC#CC[NH+]1CC2(C1)CCN(C(=O)c1c[nH]c(C)cc1=O)CC2 ZINC001268047282 839216948 /nfs/dbraw/zinc/21/69/48/839216948.db2.gz YICUDOGFWQSJOU-UHFFFAOYSA-N 1 2 343.427 0.871 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNCc1ncnn1CCC ZINC001268066543 839253326 /nfs/dbraw/zinc/25/33/26/839253326.db2.gz AYZLZPWDMWOLLE-HOTGVXAUSA-N 1 2 346.479 0.722 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNCc1ncnn1CCC ZINC001268066543 839253336 /nfs/dbraw/zinc/25/33/36/839253336.db2.gz AYZLZPWDMWOLLE-HOTGVXAUSA-N 1 2 346.479 0.722 20 30 ECEDLO C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000052442410 214127903 /nfs/dbraw/zinc/12/79/03/214127903.db2.gz BXALAGTXAVBGBO-GDBMZVCRSA-N 1 2 343.431 0.759 20 30 ECEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCN4C(=O)NC[C@@H]4C3)C2=O)cc1 ZINC000175873461 283166803 /nfs/dbraw/zinc/16/68/03/283166803.db2.gz SVWIXPOBWSVRBD-CABCVRRESA-N 1 2 325.372 0.373 20 30 ECEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCN4C(=O)NC[C@@H]4C3)C2=O)cc1 ZINC000175873461 283166805 /nfs/dbraw/zinc/16/68/05/283166805.db2.gz SVWIXPOBWSVRBD-CABCVRRESA-N 1 2 325.372 0.373 20 30 ECEDLO N#Cc1ccc(Br)c(CN2CC[NH+](CC(N)=O)CC2)c1 ZINC000191773017 239288075 /nfs/dbraw/zinc/28/80/75/239288075.db2.gz ILXBYGOKWQLSFI-UHFFFAOYSA-N 1 2 337.221 0.924 20 30 ECEDLO Cn1cc[nH+]c1CNC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000264182311 246149838 /nfs/dbraw/zinc/14/98/38/246149838.db2.gz NJLSLFKZROHDHE-UHFFFAOYSA-N 1 2 325.376 0.719 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(OC)cc2C)CC1 ZINC000266170849 248147230 /nfs/dbraw/zinc/14/72/30/248147230.db2.gz WBUVWOMCKSUFFA-UHFFFAOYSA-N 1 2 343.427 0.901 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(OC)cc2C)CC1 ZINC000266170849 248147231 /nfs/dbraw/zinc/14/72/31/248147231.db2.gz WBUVWOMCKSUFFA-UHFFFAOYSA-N 1 2 343.427 0.901 20 30 ECEDLO N#Cc1ccc(C2(C(=O)NCCC[N@@H+]3CCNC(=O)C3)CC2)cc1 ZINC000444236792 211061913 /nfs/dbraw/zinc/06/19/13/211061913.db2.gz JTPGTWXGCAVJGU-UHFFFAOYSA-N 1 2 326.400 0.528 20 30 ECEDLO N#Cc1ccc(C2(C(=O)NCCC[N@H+]3CCNC(=O)C3)CC2)cc1 ZINC000444236792 211061920 /nfs/dbraw/zinc/06/19/20/211061920.db2.gz JTPGTWXGCAVJGU-UHFFFAOYSA-N 1 2 326.400 0.528 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000416648612 284849409 /nfs/dbraw/zinc/84/94/09/284849409.db2.gz OYQZBCRGDIDRMR-UHFFFAOYSA-N 1 2 332.470 0.509 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000337104956 284850703 /nfs/dbraw/zinc/85/07/03/284850703.db2.gz YZBSPZDPGQDNSB-OAHLLOKOSA-N 1 2 344.481 0.653 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000267433485 251052200 /nfs/dbraw/zinc/05/22/00/251052200.db2.gz FCDGQVZBJXJHSP-NWDGAFQWSA-N 1 2 339.465 0.496 20 30 ECEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000187540050 207720431 /nfs/dbraw/zinc/72/04/31/207720431.db2.gz OVGKIVMAKCTHOG-GFCCVEGCSA-N 1 2 330.388 0.330 20 30 ECEDLO C[C@H](O)CNc1cc(N2CCN(c3cccc(C#N)n3)CC2)nc[nH+]1 ZINC000413225831 208298646 /nfs/dbraw/zinc/29/86/46/208298646.db2.gz GOKPMGGJUXHQSS-ZDUSSCGKSA-N 1 2 339.403 0.863 20 30 ECEDLO C[C@H](O)CNc1cc(N2CCN(c3cccc(C#N)n3)CC2)[nH+]cn1 ZINC000413225831 208298651 /nfs/dbraw/zinc/29/86/51/208298651.db2.gz GOKPMGGJUXHQSS-ZDUSSCGKSA-N 1 2 339.403 0.863 20 30 ECEDLO Cn1cc[nH+]c1[C@@H]1CN(CC(=O)N[C@@](C)(C#N)C2CC2)CCN1C ZINC000279976092 254547498 /nfs/dbraw/zinc/54/74/98/254547498.db2.gz HXDIGDAONOGXLG-YOEHRIQHSA-N 1 2 330.436 0.517 20 30 ECEDLO C=C[C@@H](CO)NC(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000291432224 254576792 /nfs/dbraw/zinc/57/67/92/254576792.db2.gz ZGVXZYBZIODTMN-ZDUSSCGKSA-N 1 2 342.440 0.385 20 30 ECEDLO O=C(NC[C@H]1CCCCS1(=O)=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000329766832 254617732 /nfs/dbraw/zinc/61/77/32/254617732.db2.gz YQNCPHPOAHBBEL-ZIAGYGMSSA-N 1 2 327.450 0.814 20 30 ECEDLO CC1(C)C[N@H+](CCNC(=O)N2CCC[C@H](OCCO)C2)CCO1 ZINC000331240076 254651466 /nfs/dbraw/zinc/65/14/66/254651466.db2.gz WOOJBKHFHCRLKH-AWEZNQCLSA-N 1 2 329.441 0.485 20 30 ECEDLO CC1(C)C[N@@H+](CCNC(=O)N2CCC[C@H](OCCO)C2)CCO1 ZINC000331240076 254651467 /nfs/dbraw/zinc/65/14/67/254651467.db2.gz WOOJBKHFHCRLKH-AWEZNQCLSA-N 1 2 329.441 0.485 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000337056807 254663083 /nfs/dbraw/zinc/66/30/83/254663083.db2.gz CSBQJIXEZJKPFY-KGLIPLIRSA-N 1 2 332.470 0.271 20 30 ECEDLO CC(C)(CC#N)CNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000422357855 254777386 /nfs/dbraw/zinc/77/73/86/254777386.db2.gz BLAXVCMQKSYWEE-ZDUSSCGKSA-N 1 2 329.404 0.833 20 30 ECEDLO COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1 ZINC000451275661 254805366 /nfs/dbraw/zinc/80/53/66/254805366.db2.gz RUCVXDZZBJSKNG-CYBMUJFWSA-N 1 2 343.449 0.579 20 30 ECEDLO C=C(CO)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000495702638 255034592 /nfs/dbraw/zinc/03/45/92/255034592.db2.gz XDLJHQIJVJYJLF-CQSZACIVSA-N 1 2 339.436 0.689 20 30 ECEDLO CC(C)NC(=O)C[NH+]1CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000119583723 221354339 /nfs/dbraw/zinc/35/43/39/221354339.db2.gz YOEDAQPUZJTIHK-UHFFFAOYSA-N 1 2 340.431 0.848 20 30 ECEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000249197582 292046011 /nfs/dbraw/zinc/04/60/11/292046011.db2.gz QJRNSEJOXKMMCD-ZIAGYGMSSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000249197582 292046012 /nfs/dbraw/zinc/04/60/12/292046012.db2.gz QJRNSEJOXKMMCD-ZIAGYGMSSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416658690 292046109 /nfs/dbraw/zinc/04/61/09/292046109.db2.gz GBUIIDRUGADTPO-ZIAGYGMSSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000416658690 292046110 /nfs/dbraw/zinc/04/61/10/292046110.db2.gz GBUIIDRUGADTPO-ZIAGYGMSSA-N 1 2 337.445 0.942 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](Cc3nncn3C)C2)C1 ZINC001041695755 782013825 /nfs/dbraw/zinc/01/38/25/782013825.db2.gz GNGSOQKKSBUIDF-VKJFTORMSA-N 1 2 345.447 0.831 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](Cc3nncn3C)C2)C1 ZINC001041695755 782013834 /nfs/dbraw/zinc/01/38/34/782013834.db2.gz GNGSOQKKSBUIDF-VKJFTORMSA-N 1 2 345.447 0.831 20 30 ECEDLO COCCNC(=O)C[NH+]1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000159248724 225179499 /nfs/dbraw/zinc/17/94/99/225179499.db2.gz MKURDNQDXZAOMT-UHFFFAOYSA-N 1 2 333.407 0.557 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CC[C@H](C(N)=O)O3)CC2)cc1 ZINC000280085696 263911938 /nfs/dbraw/zinc/91/19/38/263911938.db2.gz AJFSDPFCMGAJBO-HZPDHXFCSA-N 1 2 342.399 0.235 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(O)CCOCC3)CC2)cc1 ZINC000332143548 270005829 /nfs/dbraw/zinc/00/58/29/270005829.db2.gz SDDGMYBFRASFLW-UHFFFAOYSA-N 1 2 329.400 0.744 20 30 ECEDLO CN(C)c1cc(C#N)cc(C(=O)N(CCO)CC[NH+]2CCOCC2)c1 ZINC000343201103 270006090 /nfs/dbraw/zinc/00/60/90/270006090.db2.gz UTADSSGRBYUUDB-UHFFFAOYSA-N 1 2 346.431 0.391 20 30 ECEDLO N#Cc1cccc(CS(=O)(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000378297274 270007804 /nfs/dbraw/zinc/00/78/04/270007804.db2.gz XCALCRFOINHDPG-INIZCTEOSA-N 1 2 335.429 0.795 20 30 ECEDLO CCOCCOCC[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289510203 266280586 /nfs/dbraw/zinc/28/05/86/266280586.db2.gz VBIVUPBCSNYLHU-UHFFFAOYSA-N 1 2 341.433 0.712 20 30 ECEDLO CCOCCOCC[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289510203 266280592 /nfs/dbraw/zinc/28/05/92/266280592.db2.gz VBIVUPBCSNYLHU-UHFFFAOYSA-N 1 2 341.433 0.712 20 30 ECEDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@@H+]1C[C@@H](C)O ZINC000288176611 266381121 /nfs/dbraw/zinc/38/11/21/266381121.db2.gz PADACPQPOMMJRN-VXGBXAGGSA-N 1 2 327.406 0.617 20 30 ECEDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@H+]1C[C@@H](C)O ZINC000288176611 266381124 /nfs/dbraw/zinc/38/11/24/266381124.db2.gz PADACPQPOMMJRN-VXGBXAGGSA-N 1 2 327.406 0.617 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCc1c[nH+]cn1C ZINC000328808165 267064749 /nfs/dbraw/zinc/06/47/49/267064749.db2.gz DSALMXZVLIWRBH-CYBMUJFWSA-N 1 2 339.403 0.752 20 30 ECEDLO C[C@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)[NH+]1CCN(C)CC1 ZINC000355309866 267127404 /nfs/dbraw/zinc/12/74/04/267127404.db2.gz NWCZWUPJBQUZTB-OAHLLOKOSA-N 1 2 342.447 0.238 20 30 ECEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000366755746 267138723 /nfs/dbraw/zinc/13/87/23/267138723.db2.gz IYACPBWXYKJNRH-KCPJHIHWSA-N 1 2 328.372 0.475 20 30 ECEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000366755746 267138725 /nfs/dbraw/zinc/13/87/25/267138725.db2.gz IYACPBWXYKJNRH-KCPJHIHWSA-N 1 2 328.372 0.475 20 30 ECEDLO C[C@H](NC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C)c1ccc(C#N)cc1 ZINC000340153943 267169667 /nfs/dbraw/zinc/16/96/67/267169667.db2.gz BNUXDNDHBRGALW-KGLIPLIRSA-N 1 2 344.415 0.572 20 30 ECEDLO C[C@H](NC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C)c1ccc(C#N)cc1 ZINC000340153943 267169671 /nfs/dbraw/zinc/16/96/71/267169671.db2.gz BNUXDNDHBRGALW-KGLIPLIRSA-N 1 2 344.415 0.572 20 30 ECEDLO C[C@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@@H]1O ZINC000351821030 267228626 /nfs/dbraw/zinc/22/86/26/267228626.db2.gz QHYBTWPQLWYXKW-WFASDCNBSA-N 1 2 325.372 0.995 20 30 ECEDLO C[C@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@@H]1O ZINC000351821030 267228628 /nfs/dbraw/zinc/22/86/28/267228628.db2.gz QHYBTWPQLWYXKW-WFASDCNBSA-N 1 2 325.372 0.995 20 30 ECEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332497717 267280326 /nfs/dbraw/zinc/28/03/26/267280326.db2.gz ZLGOCLDXYILKMV-HOTGVXAUSA-N 1 2 342.399 0.737 20 30 ECEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332497717 267280329 /nfs/dbraw/zinc/28/03/29/267280329.db2.gz ZLGOCLDXYILKMV-HOTGVXAUSA-N 1 2 342.399 0.737 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccc(C#N)nc1 ZINC000529751305 267330648 /nfs/dbraw/zinc/33/06/48/267330648.db2.gz JFFSBMOOMSGWIT-KRWDZBQOSA-N 1 2 330.388 0.299 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccc(C#N)nc1 ZINC000529751305 267330650 /nfs/dbraw/zinc/33/06/50/267330650.db2.gz JFFSBMOOMSGWIT-KRWDZBQOSA-N 1 2 330.388 0.299 20 30 ECEDLO N#Cc1ccc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)s1 ZINC000362950931 268034839 /nfs/dbraw/zinc/03/48/39/268034839.db2.gz IWBDKFHOOLOYDJ-UHFFFAOYSA-N 1 2 342.428 0.962 20 30 ECEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CC[C@@H](n4cncn4)C3)C2=O)cc1 ZINC000368883102 268105122 /nfs/dbraw/zinc/10/51/22/268105122.db2.gz WBHXFDTXDMHSSB-HUUCEWRRSA-N 1 2 336.355 0.729 20 30 ECEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CC[C@@H](n4cncn4)C3)C2=O)cc1 ZINC000368883102 268105126 /nfs/dbraw/zinc/10/51/26/268105126.db2.gz WBHXFDTXDMHSSB-HUUCEWRRSA-N 1 2 336.355 0.729 20 30 ECEDLO Cn1ncc(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)c1C#N ZINC000527231060 268133132 /nfs/dbraw/zinc/13/31/32/268133132.db2.gz SBLURIYKOJPLKB-UHFFFAOYSA-N 1 2 338.415 0.844 20 30 ECEDLO N#Cc1ccc(NCC(=O)N2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000354192802 268152757 /nfs/dbraw/zinc/15/27/57/268152757.db2.gz RJMAXDMKPULHDW-UHFFFAOYSA-N 1 2 339.403 0.406 20 30 ECEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CC(=O)NC2CCCC2)c1=O ZINC000515183452 268179802 /nfs/dbraw/zinc/17/98/02/268179802.db2.gz CEOMGPFBDCWZLH-UHFFFAOYSA-N 1 2 344.415 0.611 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H]3C(=O)NC[C@H]3C2)cc1 ZINC000377670303 268188485 /nfs/dbraw/zinc/18/84/85/268188485.db2.gz IRKPWDKTINYUQR-DZGCQCFKSA-N 1 2 333.413 0.400 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H]3C(=O)NC[C@H]3C2)cc1 ZINC000377670303 268188492 /nfs/dbraw/zinc/18/84/92/268188492.db2.gz IRKPWDKTINYUQR-DZGCQCFKSA-N 1 2 333.413 0.400 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000363096410 268193634 /nfs/dbraw/zinc/19/36/34/268193634.db2.gz QUMQZDXSUOVHTE-HZPDHXFCSA-N 1 2 335.429 0.778 20 30 ECEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)c1 ZINC000363956294 268249741 /nfs/dbraw/zinc/24/97/41/268249741.db2.gz AYOMLVISQKVEOK-MRXNPFEDSA-N 1 2 326.400 0.917 20 30 ECEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)c1 ZINC000363956294 268249746 /nfs/dbraw/zinc/24/97/46/268249746.db2.gz AYOMLVISQKVEOK-MRXNPFEDSA-N 1 2 326.400 0.917 20 30 ECEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)c1 ZINC000363956284 268250325 /nfs/dbraw/zinc/25/03/25/268250325.db2.gz AYOMLVISQKVEOK-INIZCTEOSA-N 1 2 326.400 0.917 20 30 ECEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H]2C(=O)NC2CC2)c1 ZINC000363956284 268250326 /nfs/dbraw/zinc/25/03/26/268250326.db2.gz AYOMLVISQKVEOK-INIZCTEOSA-N 1 2 326.400 0.917 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)c1 ZINC000377658733 268275394 /nfs/dbraw/zinc/27/53/94/268275394.db2.gz YFQOGKLKKWALID-HIFRSBDPSA-N 1 2 333.413 0.400 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)c1 ZINC000377658733 268275399 /nfs/dbraw/zinc/27/53/99/268275399.db2.gz YFQOGKLKKWALID-HIFRSBDPSA-N 1 2 333.413 0.400 20 30 ECEDLO N#Cc1ncccc1S(=O)(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000373012922 268329384 /nfs/dbraw/zinc/32/93/84/268329384.db2.gz JJVZVPNZTSRCGH-KBPBESRZSA-N 1 2 336.417 0.173 20 30 ECEDLO C=C(C)CN(CC)C(=O)CN1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000374111848 277769397 /nfs/dbraw/zinc/76/93/97/277769397.db2.gz UPYTZOZTGLRTTI-MRXNPFEDSA-N 1 2 336.480 0.697 20 30 ECEDLO C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(C[C@H](O)C[N@H+](C)CCC#N)C2=O ZINC000331711662 278004698 /nfs/dbraw/zinc/00/46/98/278004698.db2.gz YRYVZLKUDOAFNG-UMPJEAMMSA-N 1 2 336.436 0.939 20 30 ECEDLO C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(C[C@H](O)C[N@@H+](C)CCC#N)C2=O ZINC000331711662 278004699 /nfs/dbraw/zinc/00/46/99/278004699.db2.gz YRYVZLKUDOAFNG-UMPJEAMMSA-N 1 2 336.436 0.939 20 30 ECEDLO CCN1CCN(C(=O)NCCCS(C)(=O)=O)C[C@@H]1c1[nH]cc[nH+]1 ZINC000331022314 279336682 /nfs/dbraw/zinc/33/66/82/279336682.db2.gz LFKRHHZWHNUFSA-GFCCVEGCSA-N 1 2 343.453 0.437 20 30 ECEDLO COc1cnc(NC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)s1 ZINC000330738000 437603906 /nfs/dbraw/zinc/60/39/06/437603906.db2.gz YRBKPXMVUGAGQC-SECBINFHSA-N 1 2 343.409 0.865 20 30 ECEDLO COc1cnc(NC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)s1 ZINC000330738000 437603912 /nfs/dbraw/zinc/60/39/12/437603912.db2.gz YRBKPXMVUGAGQC-SECBINFHSA-N 1 2 343.409 0.865 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189733183 437608991 /nfs/dbraw/zinc/60/89/91/437608991.db2.gz VIUPIEWRQSWJGE-GFCCVEGCSA-N 1 2 346.435 0.809 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(O)c(CC)c2)CC1 ZINC000291606367 437610093 /nfs/dbraw/zinc/61/00/93/437610093.db2.gz XTFUDTIRURGITH-UHFFFAOYSA-N 1 2 343.427 0.852 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(O)c(CC)c2)CC1 ZINC000291606367 437610098 /nfs/dbraw/zinc/61/00/98/437610098.db2.gz XTFUDTIRURGITH-UHFFFAOYSA-N 1 2 343.427 0.852 20 30 ECEDLO C[C@@](C#N)(NC(=O)CN1CCCC[C@@H]1C[NH+]1CCOCC1)C1CC1 ZINC000109819977 289107322 /nfs/dbraw/zinc/10/73/22/289107322.db2.gz REZLKHFTGNTGJZ-AEFFLSMTSA-N 1 2 334.464 0.982 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000340228179 437614264 /nfs/dbraw/zinc/61/42/64/437614264.db2.gz JDWJJGNXNCNGSE-HIFRSBDPSA-N 1 2 346.431 0.861 20 30 ECEDLO C[C@H](C[S@](C)=O)NC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000331049958 289739334 /nfs/dbraw/zinc/73/93/34/289739334.db2.gz XLYRJPYSADEJDN-ZSDNHXBWSA-N 1 2 327.454 0.390 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccnn1C ZINC000330260727 298622400 /nfs/dbraw/zinc/62/24/00/298622400.db2.gz SVNIJDWENMNXBM-IOASZLSFSA-N 1 2 349.435 0.617 20 30 ECEDLO COC(=O)CNC(=O)[C@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000073620332 436085751 /nfs/dbraw/zinc/08/57/51/436085751.db2.gz XQOSIZBZJVGDCT-AWEZNQCLSA-N 1 2 344.415 0.354 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000024238844 436132370 /nfs/dbraw/zinc/13/23/70/436132370.db2.gz GAGCNABFHQEKSP-ZDUSSCGKSA-N 1 2 332.404 0.915 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000024249594 436133208 /nfs/dbraw/zinc/13/32/08/436133208.db2.gz JKIIRDLWMBGJQO-OAHLLOKOSA-N 1 2 330.432 0.933 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000076945337 436218147 /nfs/dbraw/zinc/21/81/47/436218147.db2.gz SPNXETJJKYUTIX-OAHLLOKOSA-N 1 2 337.468 0.090 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000076945337 436218150 /nfs/dbraw/zinc/21/81/50/436218150.db2.gz SPNXETJJKYUTIX-OAHLLOKOSA-N 1 2 337.468 0.090 20 30 ECEDLO N#Cc1c(F)cccc1N1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000030968026 436223051 /nfs/dbraw/zinc/22/30/51/436223051.db2.gz JZXQMGGWBJCSQK-OAHLLOKOSA-N 1 2 348.422 0.512 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](OCCO)C2)cc1 ZINC000081513516 436348924 /nfs/dbraw/zinc/34/89/24/436348924.db2.gz MQVUFBNVZLKMJU-OAHLLOKOSA-N 1 2 338.429 0.805 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](OCCO)C2)cc1 ZINC000081513516 436348928 /nfs/dbraw/zinc/34/89/28/436348928.db2.gz MQVUFBNVZLKMJU-OAHLLOKOSA-N 1 2 338.429 0.805 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000081600660 436352280 /nfs/dbraw/zinc/35/22/80/436352280.db2.gz NZTCSDXYHCHVPL-LBPRGKRZSA-N 1 2 325.363 0.534 20 30 ECEDLO C[N@@H+](Cc1nnc2n1CCC2)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000079916313 436307485 /nfs/dbraw/zinc/30/74/85/436307485.db2.gz KILNWBOADDKLPC-CQSZACIVSA-N 1 2 327.388 0.968 20 30 ECEDLO C[N@H+](Cc1nnc2n1CCC2)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000079916313 436307489 /nfs/dbraw/zinc/30/74/89/436307489.db2.gz KILNWBOADDKLPC-CQSZACIVSA-N 1 2 327.388 0.968 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCN(c3nc(C)cs3)CC2)CC1 ZINC000081649329 436353240 /nfs/dbraw/zinc/35/32/40/436353240.db2.gz PHRCRJHEVVKQEF-UHFFFAOYSA-N 1 2 347.488 0.351 20 30 ECEDLO C#CCN(CC#C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000080736278 436327273 /nfs/dbraw/zinc/32/72/73/436327273.db2.gz MBIJYZHRFJVUID-UHFFFAOYSA-N 1 2 339.439 0.703 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCc1ccc(C#N)cc1 ZINC000082984542 436366081 /nfs/dbraw/zinc/36/60/81/436366081.db2.gz ZVSLBISKNBXHLV-KRWDZBQOSA-N 1 2 331.416 0.642 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(CNC(=O)OC)cc2)CC1 ZINC000085277698 436387383 /nfs/dbraw/zinc/38/73/83/436387383.db2.gz ILVARDLVKFLCRY-UHFFFAOYSA-N 1 2 344.415 0.732 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(C(=O)NCC)cc2C)CC1 ZINC000085273722 436387576 /nfs/dbraw/zinc/38/75/76/436387576.db2.gz DBEOWTWYYSLZIN-UHFFFAOYSA-N 1 2 342.443 0.934 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(OC)c2F)CC1 ZINC000090553079 436433445 /nfs/dbraw/zinc/43/34/45/436433445.db2.gz FSNWNJXACTVOBB-UHFFFAOYSA-N 1 2 347.390 0.732 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(OC)c2F)CC1 ZINC000090553079 436433447 /nfs/dbraw/zinc/43/34/47/436433447.db2.gz FSNWNJXACTVOBB-UHFFFAOYSA-N 1 2 347.390 0.732 20 30 ECEDLO COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000050166946 436474018 /nfs/dbraw/zinc/47/40/18/436474018.db2.gz WKPKJMONCDCZCA-NSHDSACASA-N 1 2 327.344 0.907 20 30 ECEDLO Cc1nc(C(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)ccc1C#N ZINC000106100058 436589889 /nfs/dbraw/zinc/58/98/89/436589889.db2.gz ULAYOYDGBVWRLP-UHFFFAOYSA-N 1 2 329.404 0.498 20 30 ECEDLO Cc1nc(C(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)ccc1C#N ZINC000106100058 436589891 /nfs/dbraw/zinc/58/98/91/436589891.db2.gz ULAYOYDGBVWRLP-UHFFFAOYSA-N 1 2 329.404 0.498 20 30 ECEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N3CCC(C#N)CC3)nc2)CC1 ZINC000057856294 436617774 /nfs/dbraw/zinc/61/77/74/436617774.db2.gz QDYHMGKWMSBGPB-UHFFFAOYSA-N 1 2 349.460 0.758 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+]([C@@H](C)C(=O)NC2CCCCC2)CC1 ZINC000057975648 436619560 /nfs/dbraw/zinc/61/95/60/436619560.db2.gz HTDACJCDHCMJJM-HNNXBMFYSA-N 1 2 336.480 0.744 20 30 ECEDLO C#CCN(C(=O)Cn1c(C)[nH+]c2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000060559992 436633941 /nfs/dbraw/zinc/63/39/41/436633941.db2.gz YXGKPXMKXGQEQR-AWEZNQCLSA-N 1 2 345.424 0.994 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(Cc2noc(C)n2)CC1 ZINC000114465499 436641899 /nfs/dbraw/zinc/64/18/99/436641899.db2.gz BGUUPEUUCAMXMP-ZDUSSCGKSA-N 1 2 334.424 0.504 20 30 ECEDLO C=CC[C@H](C)NC(=O)N1CC[NH+]([C@H](C)C(=O)NCCCOC)CC1 ZINC000116971976 436655892 /nfs/dbraw/zinc/65/58/92/436655892.db2.gz ABXPFDNKXCNNRX-LSDHHAIUSA-N 1 2 340.468 0.819 20 30 ECEDLO C#CC[C@@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1ccccc1 ZINC000271736131 436694471 /nfs/dbraw/zinc/69/44/71/436694471.db2.gz UDIUGQSEYHNZKQ-CYBMUJFWSA-N 1 2 337.383 0.815 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCC(n2[nH]cc(C(=O)OCC)c2=N)CC1 ZINC000118838872 436663569 /nfs/dbraw/zinc/66/35/69/436663569.db2.gz VCAWZGBYTFIXGT-UHFFFAOYSA-N 1 2 335.408 0.411 20 30 ECEDLO C#CCNC(=O)c1ccc(NCC(C)(C)[NH+]2CCS(=O)CC2)nc1 ZINC000269569811 436667631 /nfs/dbraw/zinc/66/76/31/436667631.db2.gz MDNOPMNOCZESCB-UHFFFAOYSA-N 1 2 348.472 0.699 20 30 ECEDLO Cc1cc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)nn1CCC#N ZINC000271036191 436677306 /nfs/dbraw/zinc/67/73/06/436677306.db2.gz JEVGFNKSCUHKHC-UHFFFAOYSA-N 1 2 330.392 0.350 20 30 ECEDLO C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cc(OC)cc(C)[nH+]2)c1=O ZINC000271210205 436679099 /nfs/dbraw/zinc/67/90/99/436679099.db2.gz LLZWVFAGZJDHQI-UHFFFAOYSA-N 1 2 344.371 0.304 20 30 ECEDLO CC(C)(C)OC(=O)CNC(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000272917548 436728688 /nfs/dbraw/zinc/72/86/88/436728688.db2.gz FIMWYXOGAFKOOS-UHFFFAOYSA-N 1 2 349.387 0.716 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2c(CC)nn(C)c2CC)CC1 ZINC000122258654 436734401 /nfs/dbraw/zinc/73/44/01/436734401.db2.gz MAEPAGJSOHOKJB-UHFFFAOYSA-N 1 2 333.480 0.965 20 30 ECEDLO N#CCCN(C(=O)C[NH+](CCO)CCO)c1cccc(Cl)c1 ZINC000153980662 436767877 /nfs/dbraw/zinc/76/78/77/436767877.db2.gz WHTZZAAUHMLUNM-UHFFFAOYSA-N 1 2 325.796 0.873 20 30 ECEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000248830600 436811095 /nfs/dbraw/zinc/81/10/95/436811095.db2.gz LFNSRTAKZVOBHA-DZKIICNBSA-N 1 2 332.404 0.916 20 30 ECEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000248830600 436811097 /nfs/dbraw/zinc/81/10/97/436811097.db2.gz LFNSRTAKZVOBHA-DZKIICNBSA-N 1 2 332.404 0.916 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1 ZINC000128442968 436814894 /nfs/dbraw/zinc/81/48/94/436814894.db2.gz DFYHJBDKKKNKDJ-UHFFFAOYSA-N 1 2 336.395 0.688 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000125893538 436777786 /nfs/dbraw/zinc/77/77/86/436777786.db2.gz HHDKLBWVRLKODK-MFKMUULPSA-N 1 2 327.381 0.695 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000125893538 436777793 /nfs/dbraw/zinc/77/77/93/436777793.db2.gz HHDKLBWVRLKODK-MFKMUULPSA-N 1 2 327.381 0.695 20 30 ECEDLO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)CC(C)(CO)CO ZINC000135913487 436924802 /nfs/dbraw/zinc/92/48/02/436924802.db2.gz INJJYCWKMVVNKM-UHFFFAOYSA-N 1 2 326.418 0.255 20 30 ECEDLO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)CC(C)(CO)CO ZINC000135913487 436924805 /nfs/dbraw/zinc/92/48/05/436924805.db2.gz INJJYCWKMVVNKM-UHFFFAOYSA-N 1 2 326.418 0.255 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCn1cc[nH+]c1 ZINC000133437966 436878752 /nfs/dbraw/zinc/87/87/52/436878752.db2.gz PEVHKAQBOQJXJF-GFCCVEGCSA-N 1 2 347.400 0.238 20 30 ECEDLO COc1cc(NC(=O)CO[NH+]=C(N)CCO)c(OC)cc1Cl ZINC000275482545 436974400 /nfs/dbraw/zinc/97/44/00/436974400.db2.gz NHTWZLZTKCUJTF-UHFFFAOYSA-N 1 2 331.756 0.967 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N2CCC(C(=O)OC)CC2)C1=O ZINC000281491297 436974725 /nfs/dbraw/zinc/97/47/25/436974725.db2.gz XKJNEIFFSICMJG-CQSZACIVSA-N 1 2 337.420 0.117 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N2CCC(C(=O)OC)CC2)C1=O ZINC000281491297 436974727 /nfs/dbraw/zinc/97/47/27/436974727.db2.gz XKJNEIFFSICMJG-CQSZACIVSA-N 1 2 337.420 0.117 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2F)CC1 ZINC000281561800 436980356 /nfs/dbraw/zinc/98/03/56/436980356.db2.gz LRTDFMCBCWBXPY-UHFFFAOYSA-N 1 2 339.392 0.254 20 30 ECEDLO COCCN(CCC#N)S(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000282635362 437017270 /nfs/dbraw/zinc/01/72/70/437017270.db2.gz KUTHFOYULACDBU-UHFFFAOYSA-N 1 2 341.437 0.627 20 30 ECEDLO C[C@@H](C#N)CN(C)C(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000297758632 437018647 /nfs/dbraw/zinc/01/86/47/437018647.db2.gz LKBBCOARABMZQL-GJZGRUSLSA-N 1 2 343.431 0.905 20 30 ECEDLO COCCN(C)C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000297907741 437019810 /nfs/dbraw/zinc/01/98/10/437019810.db2.gz SGBZLIYGRJGOEU-UHFFFAOYSA-N 1 2 344.415 0.307 20 30 ECEDLO Cn1nnc2c1nccc2C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000283086832 437024719 /nfs/dbraw/zinc/02/47/19/437024719.db2.gz DXTXIVDWMOIPGT-UHFFFAOYSA-N 1 2 343.391 0.051 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc3nccn3c2)CC1 ZINC000171975994 436993780 /nfs/dbraw/zinc/99/37/80/436993780.db2.gz IBMVVBSQDVBUPW-UHFFFAOYSA-N 1 2 339.399 0.232 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc3nccn3c2)CC1 ZINC000171975994 436993789 /nfs/dbraw/zinc/99/37/89/436993789.db2.gz IBMVVBSQDVBUPW-UHFFFAOYSA-N 1 2 339.399 0.232 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCN(c3ccc4nncn4n3)CC2)C1=O ZINC000281893763 437005943 /nfs/dbraw/zinc/00/59/43/437005943.db2.gz FAYNSJORUBZZIO-ZDUSSCGKSA-N 1 2 327.392 0.033 20 30 ECEDLO CS(=O)(=O)C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000298751998 437051746 /nfs/dbraw/zinc/05/17/46/437051746.db2.gz MONXXCJKOKLHLO-INIZCTEOSA-N 1 2 349.456 0.931 20 30 ECEDLO CS(=O)(=O)C[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000298751998 437051748 /nfs/dbraw/zinc/05/17/48/437051748.db2.gz MONXXCJKOKLHLO-INIZCTEOSA-N 1 2 349.456 0.931 20 30 ECEDLO CS(=O)(=O)c1cccc(OCCO[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000284416644 437054072 /nfs/dbraw/zinc/05/40/72/437054072.db2.gz 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20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](S(C)(=O)=O)CC1)C1CC1 ZINC000337416769 437359756 /nfs/dbraw/zinc/35/97/56/437359756.db2.gz RUQIMMCRJKUHHP-HIFRSBDPSA-N 1 2 327.450 0.694 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000337076828 437328690 /nfs/dbraw/zinc/32/86/90/437328690.db2.gz SLZCIMKASGXHDS-UHFFFAOYSA-N 1 2 326.426 0.008 20 30 ECEDLO CCC(=O)N1CC[C@H](NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)C1 ZINC000329229690 437338918 /nfs/dbraw/zinc/33/89/18/437338918.db2.gz JMLKOFMZIOGTIL-QLFBSQMISA-N 1 2 338.452 0.706 20 30 ECEDLO C[C@H](CN1CCCC1=O)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000329234673 437339510 /nfs/dbraw/zinc/33/95/10/437339510.db2.gz MWKOTQAJWJLZIH-RBSFLKMASA-N 1 2 338.452 0.706 20 30 ECEDLO CCC[N@H+](CC(=O)N(CCC#N)CCC#N)[C@@H]1CC(=O)N(C)C1=O ZINC000338326848 437405845 /nfs/dbraw/zinc/40/58/45/437405845.db2.gz FFFDJYAMOVDSOJ-CYBMUJFWSA-N 1 2 333.392 0.112 20 30 ECEDLO CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@@H]1CC(=O)N(C)C1=O ZINC000338326848 437405850 /nfs/dbraw/zinc/40/58/50/437405850.db2.gz FFFDJYAMOVDSOJ-CYBMUJFWSA-N 1 2 333.392 0.112 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@](F)(CO)C2)CC1 ZINC000338592946 437413917 /nfs/dbraw/zinc/41/39/17/437413917.db2.gz HRJHRMXPPPCODW-GDBMZVCRSA-N 1 2 326.416 0.085 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@](F)(CO)C2)CC1 ZINC000338592946 437413919 /nfs/dbraw/zinc/41/39/19/437413919.db2.gz HRJHRMXPPPCODW-GDBMZVCRSA-N 1 2 326.416 0.085 20 30 ECEDLO Cn1cc(N2CCC[C@H](NC(=O)NC[C@@H]3CN(C)CC[N@@H+]3C)C2)cn1 ZINC000329810496 437416517 /nfs/dbraw/zinc/41/65/17/437416517.db2.gz QSIPHZSBTPIQMH-LSDHHAIUSA-N 1 2 349.483 0.138 20 30 ECEDLO Cn1cc(N2CCC[C@H](NC(=O)NC[C@@H]3CN(C)CC[N@H+]3C)C2)cn1 ZINC000329810496 437416521 /nfs/dbraw/zinc/41/65/21/437416521.db2.gz QSIPHZSBTPIQMH-LSDHHAIUSA-N 1 2 349.483 0.138 20 30 ECEDLO C=CCn1c([C@@H]2COCCO2)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000337858030 437383313 /nfs/dbraw/zinc/38/33/13/437383313.db2.gz MEJJFDWHHSDFQL-CABCVRRESA-N 1 2 349.435 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/nfs/dbraw/zinc/39/92/45/437399245.db2.gz LSZUZHSVCXARQD-HNNXBMFYSA-N 1 2 340.468 0.070 20 30 ECEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](O)C[C@H]2CO)c1C ZINC000186507758 437474319 /nfs/dbraw/zinc/47/43/19/437474319.db2.gz MFWXOHWPKQAFHP-HOTGVXAUSA-N 1 2 331.416 0.978 20 30 ECEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](O)C[C@H]2CO)c1C ZINC000186507758 437474323 /nfs/dbraw/zinc/47/43/23/437474323.db2.gz MFWXOHWPKQAFHP-HOTGVXAUSA-N 1 2 331.416 0.978 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@]23CCOC3=O)CC1 ZINC000186631985 437479297 /nfs/dbraw/zinc/47/92/97/437479297.db2.gz LWKSBYAFXZMXLF-YJBOKZPZSA-N 1 2 348.447 0.460 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@]23CCOC3=O)CC1 ZINC000186631985 437479299 /nfs/dbraw/zinc/47/92/99/437479299.db2.gz LWKSBYAFXZMXLF-YJBOKZPZSA-N 1 2 348.447 0.460 20 30 ECEDLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2cccnc2C#N)C1 ZINC000330297867 437480341 /nfs/dbraw/zinc/48/03/41/437480341.db2.gz HCTFLTJNSDVVMP-ZDUSSCGKSA-N 1 2 338.433 0.588 20 30 ECEDLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2cccnc2C#N)C1 ZINC000330297867 437480344 /nfs/dbraw/zinc/48/03/44/437480344.db2.gz HCTFLTJNSDVVMP-ZDUSSCGKSA-N 1 2 338.433 0.588 20 30 ECEDLO N#CCCOCC[N@@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000339045334 437438220 /nfs/dbraw/zinc/43/82/20/437438220.db2.gz UFPSGHJMJXFEJZ-AWEZNQCLSA-N 1 2 343.383 0.914 20 30 ECEDLO N#CCCOCC[N@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000339045334 437438226 /nfs/dbraw/zinc/43/82/26/437438226.db2.gz UFPSGHJMJXFEJZ-AWEZNQCLSA-N 1 2 343.383 0.914 20 30 ECEDLO CC(=O)N1CC(C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)C1 ZINC000329984708 437442163 /nfs/dbraw/zinc/44/21/63/437442163.db2.gz QNKUZIDYEYJLDN-GJZGRUSLSA-N 1 2 337.399 0.767 20 30 ECEDLO CC(=O)N1CC(C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)C1 ZINC000329984708 437442166 /nfs/dbraw/zinc/44/21/66/437442166.db2.gz QNKUZIDYEYJLDN-GJZGRUSLSA-N 1 2 337.399 0.767 20 30 ECEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 ZINC000330001685 437444972 /nfs/dbraw/zinc/44/49/72/437444972.db2.gz YEVNRLMFMAOYAM-AAEUAGOBSA-N 1 2 337.424 0.595 20 30 ECEDLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000339247501 437448779 /nfs/dbraw/zinc/44/87/79/437448779.db2.gz PUSRKQXPKXKMQH-INIZCTEOSA-N 1 2 325.372 0.987 20 30 ECEDLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000339247501 437448782 /nfs/dbraw/zinc/44/87/82/437448782.db2.gz PUSRKQXPKXKMQH-INIZCTEOSA-N 1 2 325.372 0.987 20 30 ECEDLO O=C(NCc1cn2c([nH+]1)CCCC2)NC[C@H]1CCCS1(=O)=O ZINC000330068132 437450514 /nfs/dbraw/zinc/45/05/14/437450514.db2.gz GCQRJRQVHBNXEE-GFCCVEGCSA-N 1 2 326.422 0.800 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000330389961 437497858 /nfs/dbraw/zinc/49/78/58/437497858.db2.gz OESBCBDBCZCBNM-GJZGRUSLSA-N 1 2 344.481 0.509 20 30 ECEDLO C=CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000187279355 437498258 /nfs/dbraw/zinc/49/82/58/437498258.db2.gz KYOHQCJEQWZAMC-UHFFFAOYSA-N 1 2 344.415 0.591 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000330391570 437500101 /nfs/dbraw/zinc/50/01/01/437500101.db2.gz PHTRSQURAXIASP-HUUCEWRRSA-N 1 2 344.481 0.367 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000290602192 437503848 /nfs/dbraw/zinc/50/38/48/437503848.db2.gz CCCFZMQVWZUHRB-UHFFFAOYSA-N 1 2 339.439 0.977 20 30 ECEDLO C[C@H](CNC(=O)N1CCC[C@@H](CNC(N)=O)C1)[NH+]1CCOCC1 ZINC000330465450 437518918 /nfs/dbraw/zinc/51/89/18/437518918.db2.gz PZMVNWZJJKLRHH-OLZOCXBDSA-N 1 2 327.429 0.415 20 30 ECEDLO C=C[C@@H](CO)NC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000290876562 437537648 /nfs/dbraw/zinc/53/76/48/437537648.db2.gz CPNRNEMCYKDKSQ-INIZCTEOSA-N 1 2 349.431 0.744 20 30 ECEDLO Cc1cc(=O)n(C)cc1NC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000330357418 437489516 /nfs/dbraw/zinc/48/95/16/437489516.db2.gz STGJMACUBQJBLJ-CQSZACIVSA-N 1 2 344.419 0.961 20 30 ECEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCCC(=O)N(C)C)C2)CC1 ZINC000330644878 437578058 /nfs/dbraw/zinc/57/80/58/437578058.db2.gz HUUORSICGLCIAJ-CQSZACIVSA-N 1 2 325.457 0.091 20 30 ECEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCc1cccc(C#N)c1 ZINC000340151272 437586661 /nfs/dbraw/zinc/58/66/61/437586661.db2.gz SYOZOUCDFIOVKF-ZDUSSCGKSA-N 1 2 330.388 0.011 20 30 ECEDLO C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NCc1cccc(C#N)c1 ZINC000340151272 437586666 /nfs/dbraw/zinc/58/66/66/437586666.db2.gz SYOZOUCDFIOVKF-ZDUSSCGKSA-N 1 2 330.388 0.011 20 30 ECEDLO C#CC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000192236316 437672823 /nfs/dbraw/zinc/67/28/23/437672823.db2.gz DSWQNJRJOIMJHI-UHFFFAOYSA-N 1 2 349.456 0.226 20 30 ECEDLO C#CC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000192236316 437672826 /nfs/dbraw/zinc/67/28/26/437672826.db2.gz DSWQNJRJOIMJHI-UHFFFAOYSA-N 1 2 349.456 0.226 20 30 ECEDLO O=C(C[N@H+]1CCSC[C@H]1CCO)NC(=O)NCC(F)(F)F ZINC000330978280 437661768 /nfs/dbraw/zinc/66/17/68/437661768.db2.gz OWGIHWWYUKYWDG-MRVPVSSYSA-N 1 2 329.344 0.379 20 30 ECEDLO O=C(C[N@@H+]1CCSC[C@H]1CCO)NC(=O)NCC(F)(F)F ZINC000330978280 437661772 /nfs/dbraw/zinc/66/17/72/437661772.db2.gz OWGIHWWYUKYWDG-MRVPVSSYSA-N 1 2 329.344 0.379 20 30 ECEDLO CCN1CCN(C(=O)N[C@H](C)C[S@](C)=O)C[C@@H]1c1[nH]cc[nH+]1 ZINC000331033076 437675190 /nfs/dbraw/zinc/67/51/90/437675190.db2.gz IZDDMEUBCZEWTI-ZSDNHXBWSA-N 1 2 327.454 0.769 20 30 ECEDLO Cc1c(C(=O)N(CCC#N)CC[NH+]2CCOCC2)nnn1C(C)C ZINC000292271893 437675993 /nfs/dbraw/zinc/67/59/93/437675993.db2.gz NYMAQBUSYJCOHX-UHFFFAOYSA-N 1 2 334.424 0.856 20 30 ECEDLO CC(C)N(C)c1cnn([C@H]2CCC[N@H+](CC(=O)NCC#N)C2)c(=O)c1 ZINC000331106738 437689573 /nfs/dbraw/zinc/68/95/73/437689573.db2.gz IXPYPUIMOPHSIR-AWEZNQCLSA-N 1 2 346.435 0.365 20 30 ECEDLO CC(C)N(C)c1cnn([C@H]2CCC[N@@H+](CC(=O)NCC#N)C2)c(=O)c1 ZINC000331106738 437689575 /nfs/dbraw/zinc/68/95/75/437689575.db2.gz IXPYPUIMOPHSIR-AWEZNQCLSA-N 1 2 346.435 0.365 20 30 ECEDLO Cn1ncc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c1C#N ZINC000355611798 437717815 /nfs/dbraw/zinc/71/78/15/437717815.db2.gz VZWWOHSNSYKDNC-UHFFFAOYSA-N 1 2 329.364 0.073 20 30 ECEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000340725558 437717883 /nfs/dbraw/zinc/71/78/83/437717883.db2.gz FVVZXNHTQPEOAC-ZDUSSCGKSA-N 1 2 342.355 0.446 20 30 ECEDLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2ccccc2OCC#N)CC1 ZINC000363100029 437767739 /nfs/dbraw/zinc/76/77/39/437767739.db2.gz SKDZBAWQSKCIME-UHFFFAOYSA-N 1 2 330.388 0.483 20 30 ECEDLO CNC(=O)C[N@H+]1CCCN(C(=O)c2ccccc2OCC#N)CC1 ZINC000363100029 437767745 /nfs/dbraw/zinc/76/77/45/437767745.db2.gz SKDZBAWQSKCIME-UHFFFAOYSA-N 1 2 330.388 0.483 20 30 ECEDLO C[C@H](C#N)CN(C)C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000340805217 437740766 /nfs/dbraw/zinc/74/07/66/437740766.db2.gz WQWQUHMKYOXENG-OLZOCXBDSA-N 1 2 332.408 0.712 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000346172759 437805197 /nfs/dbraw/zinc/80/51/97/437805197.db2.gz BOTJVBOFBMEGOC-UHFFFAOYSA-N 1 2 344.419 0.495 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000341187934 437810767 /nfs/dbraw/zinc/81/07/67/437810767.db2.gz OKIXCYREDRFEAO-DOMZBBRYSA-N 1 2 344.481 0.430 20 30 ECEDLO Cc1ccc(N[C@@H]2CCCN(CC[NH+]3CCOCC3)C2=O)nc1C#N ZINC000364282284 437814342 /nfs/dbraw/zinc/81/43/42/437814342.db2.gz NGRMPZVOJPNBGT-OAHLLOKOSA-N 1 2 343.431 0.997 20 30 ECEDLO C#CCNC(=O)[C@@H](C)N1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000365162027 437867886 /nfs/dbraw/zinc/86/78/86/437867886.db2.gz HWCXDZUQDJBIAD-CZUORRHYSA-N 1 2 339.399 0.254 20 30 ECEDLO CC(C)[C@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1nc(-c2nc[nH]n2)no1 ZINC000347184189 437846999 /nfs/dbraw/zinc/84/69/99/437846999.db2.gz BRDBEQPJDUBLHR-NSHDSACASA-N 1 2 344.379 0.704 20 30 ECEDLO C=CC[N@H+](Cc1nc(=O)n(C)[nH]1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000347458316 437894722 /nfs/dbraw/zinc/89/47/22/437894722.db2.gz FMKQAOVTBZRJDS-LBPRGKRZSA-N 1 2 340.391 0.833 20 30 ECEDLO C=CC[N@@H+](Cc1nc(=O)n(C)[nH]1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000347458316 437894728 /nfs/dbraw/zinc/89/47/28/437894728.db2.gz FMKQAOVTBZRJDS-LBPRGKRZSA-N 1 2 340.391 0.833 20 30 ECEDLO Cc1ccc(C(=O)N(C)Cc2[nH]cc[nH+]2)cc1S(=O)(=O)NCC#N ZINC000347513071 437902014 /nfs/dbraw/zinc/90/20/14/437902014.db2.gz MXBGNKKSLNSICJ-UHFFFAOYSA-N 1 2 347.400 0.792 20 30 ECEDLO C=CCCOCCNC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000342019352 437944720 /nfs/dbraw/zinc/94/47/20/437944720.db2.gz IYUOERVVBQJLQR-UHFFFAOYSA-N 1 2 341.452 0.265 20 30 ECEDLO C=CCCOCCNC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000342019352 437944724 /nfs/dbraw/zinc/94/47/24/437944724.db2.gz IYUOERVVBQJLQR-UHFFFAOYSA-N 1 2 341.452 0.265 20 30 ECEDLO Cn1ccnc1C[NH+]1CCC(C(=O)N2CCN(C)[C@@H](C#N)C2)CC1 ZINC000372146741 438040590 /nfs/dbraw/zinc/04/05/90/438040590.db2.gz ONTQEWOEBRASKH-HNNXBMFYSA-N 1 2 330.436 0.298 20 30 ECEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000365990377 438003487 /nfs/dbraw/zinc/00/34/87/438003487.db2.gz UEZAOKUBDMGFRT-NUJGCVRESA-N 1 2 338.448 0.965 20 30 ECEDLO CC[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(CC#N)cc1 ZINC000342765233 438058682 /nfs/dbraw/zinc/05/86/82/438058682.db2.gz MWUAKPJQNAETDS-INIZCTEOSA-N 1 2 349.456 0.878 20 30 ECEDLO CC[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(CC#N)cc1 ZINC000342765233 438058688 /nfs/dbraw/zinc/05/86/88/438058688.db2.gz MWUAKPJQNAETDS-INIZCTEOSA-N 1 2 349.456 0.878 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCN2C(=O)N(C)C[C@H]2C1 ZINC000373242903 438138298 /nfs/dbraw/zinc/13/82/98/438138298.db2.gz MLLWSLIFCXHFAJ-KBPBESRZSA-N 1 2 333.436 0.769 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCN2C(=O)N(C)C[C@H]2C1 ZINC000373242903 438138302 /nfs/dbraw/zinc/13/83/02/438138302.db2.gz MLLWSLIFCXHFAJ-KBPBESRZSA-N 1 2 333.436 0.769 20 30 ECEDLO CC(C)(C#N)CC(=O)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000373377770 438146742 /nfs/dbraw/zinc/14/67/42/438146742.db2.gz OVQKEYOVYFQRSZ-CQSZACIVSA-N 1 2 336.436 0.366 20 30 ECEDLO CC[C@](C)(C#N)C(=O)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000367740809 438244798 /nfs/dbraw/zinc/24/47/98/438244798.db2.gz QIKAFTNUJWHOBO-WMLDXEAASA-N 1 2 336.436 0.366 20 30 ECEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC(=O)NCC#N)c1cccc(F)c1 ZINC000358318768 438199502 /nfs/dbraw/zinc/19/95/02/438199502.db2.gz WYCBYZYIBFIFBE-AWEZNQCLSA-N 1 2 344.350 0.588 20 30 ECEDLO CN(C)C(=O)Cn1nc2n(c1=O)CC[N@@H+](CCCCC(C)(C)C#N)C2 ZINC000375946895 438268679 /nfs/dbraw/zinc/26/86/79/438268679.db2.gz IWMXCNTUOJHZHE-UHFFFAOYSA-N 1 2 348.451 0.669 20 30 ECEDLO CN(C)C(=O)Cn1nc2n(c1=O)CC[N@H+](CCCCC(C)(C)C#N)C2 ZINC000375946895 438268681 /nfs/dbraw/zinc/26/86/81/438268681.db2.gz IWMXCNTUOJHZHE-UHFFFAOYSA-N 1 2 348.451 0.669 20 30 ECEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000433903374 438268998 /nfs/dbraw/zinc/26/89/98/438268998.db2.gz IIRSLSDDZPWPHC-LLVKDONJSA-N 1 2 334.351 0.473 20 30 ECEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000433903374 438269002 /nfs/dbraw/zinc/26/90/02/438269002.db2.gz IIRSLSDDZPWPHC-LLVKDONJSA-N 1 2 334.351 0.473 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(COC)o2)CC1 ZINC000377653761 438319000 /nfs/dbraw/zinc/31/90/00/438319000.db2.gz VEEAXIJCSPTSTP-UHFFFAOYSA-N 1 2 333.388 0.323 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(COC)o2)CC1 ZINC000377653761 438319004 /nfs/dbraw/zinc/31/90/04/438319004.db2.gz VEEAXIJCSPTSTP-UHFFFAOYSA-N 1 2 333.388 0.323 20 30 ECEDLO Cc1oc(C#N)cc1C(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000377065995 438302240 /nfs/dbraw/zinc/30/22/40/438302240.db2.gz GHOBBVLGNOGMLV-OAHLLOKOSA-N 1 2 330.388 0.886 20 30 ECEDLO CNC(=O)C[N@@H+]1CCCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000368831661 438388526 /nfs/dbraw/zinc/38/85/26/438388526.db2.gz XOVRFGXMYDCULV-AWEZNQCLSA-N 1 2 343.431 0.639 20 30 ECEDLO CNC(=O)C[N@H+]1CCCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000368831661 438388532 /nfs/dbraw/zinc/38/85/32/438388532.db2.gz XOVRFGXMYDCULV-AWEZNQCLSA-N 1 2 343.431 0.639 20 30 ECEDLO CNC(=O)CN1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000368831661 438388535 /nfs/dbraw/zinc/38/85/35/438388535.db2.gz XOVRFGXMYDCULV-AWEZNQCLSA-N 1 2 343.431 0.639 20 30 ECEDLO CNC(=O)CN1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000368831661 438388540 /nfs/dbraw/zinc/38/85/40/438388540.db2.gz XOVRFGXMYDCULV-AWEZNQCLSA-N 1 2 343.431 0.639 20 30 ECEDLO N#Cc1cc(C(=O)N2CC[NH+](C3(C(N)=O)CCCCC3)CC2)c[nH]1 ZINC000378479529 438392521 /nfs/dbraw/zinc/39/25/21/438392521.db2.gz XLEDKJPXEBRWCW-UHFFFAOYSA-N 1 2 329.404 0.832 20 30 ECEDLO N#C[C@H]1C[N@@H+](CCN2CCNC2=O)C[C@]12c1ccccc1NC2=O ZINC000368570237 438346705 /nfs/dbraw/zinc/34/67/05/438346705.db2.gz ZRTRENUOLKTLHP-YVEFUNNKSA-N 1 2 325.372 0.357 20 30 ECEDLO N#C[C@H]1C[N@H+](CCN2CCNC2=O)C[C@]12c1ccccc1NC2=O ZINC000368570237 438346710 /nfs/dbraw/zinc/34/67/10/438346710.db2.gz ZRTRENUOLKTLHP-YVEFUNNKSA-N 1 2 325.372 0.357 20 30 ECEDLO N#CC1(F)CC[NH+](CC(=O)NCc2ccc(OCC(N)=O)cc2)CC1 ZINC000352469072 438425789 /nfs/dbraw/zinc/42/57/89/438425789.db2.gz VSHINAPOWVKUIQ-UHFFFAOYSA-N 1 2 348.378 0.495 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000437981721 438463006 /nfs/dbraw/zinc/46/30/06/438463006.db2.gz BFMAUSBYXOMYIL-OAGGEKHMSA-N 1 2 341.452 0.302 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CCN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000405347449 438467222 /nfs/dbraw/zinc/46/72/22/438467222.db2.gz LSVUSJHGDZCEKU-LSDHHAIUSA-N 1 2 335.429 0.083 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CCN2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000405347449 438467228 /nfs/dbraw/zinc/46/72/28/438467228.db2.gz LSVUSJHGDZCEKU-LSDHHAIUSA-N 1 2 335.429 0.083 20 30 ECEDLO N#CC1(NC(=O)C[NH+]2CCC(S(N)(=O)=O)CC2)CCCCC1 ZINC000408017207 438487083 /nfs/dbraw/zinc/48/70/83/438487083.db2.gz QAJQIEGUDVYSQV-UHFFFAOYSA-N 1 2 328.438 0.082 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000352602533 438448409 /nfs/dbraw/zinc/44/84/09/438448409.db2.gz BNLGQXSDSSQLEP-HZSPNIEDSA-N 1 2 330.454 0.260 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2cncc(OC)n2)CC1 ZINC000369357517 438460053 /nfs/dbraw/zinc/46/00/53/438460053.db2.gz GOZWCIOIRMPUQU-CQSZACIVSA-N 1 2 346.435 0.615 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)CC(C)(C)CC#N)C[C@@H]1[NH+]1CCOCC1 ZINC000408459304 438576298 /nfs/dbraw/zinc/57/62/98/438576298.db2.gz ICEOOKZWNRVEFG-KBPBESRZSA-N 1 2 329.466 0.909 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000410911007 438667645 /nfs/dbraw/zinc/66/76/45/438667645.db2.gz PVGUTWPDROWHFR-OAHLLOKOSA-N 1 2 333.388 0.722 20 30 ECEDLO N#Cc1cc(NC[C@H]2C[NH+]3CCN2CC3)nc2ccc([N+](=O)[O-])cc12 ZINC000446872026 438672535 /nfs/dbraw/zinc/67/25/35/438672535.db2.gz JOJCZWWQNSDZSC-AWEZNQCLSA-N 1 2 338.371 1.426 20 30 ECEDLO N#Cc1cc(NC[C@H]2CN3CC[NH+]2CC3)nc2ccc([N+](=O)[O-])cc12 ZINC000446872026 438672538 /nfs/dbraw/zinc/67/25/38/438672538.db2.gz JOJCZWWQNSDZSC-AWEZNQCLSA-N 1 2 338.371 1.426 20 30 ECEDLO C[C@H](NC(=O)C(=O)Nc1cccc(CC#N)c1)[C@H](C)[NH+]1CCOCC1 ZINC000453639162 438686476 /nfs/dbraw/zinc/68/64/76/438686476.db2.gz KBDLIQGDQAKJRS-KBPBESRZSA-N 1 2 344.415 0.917 20 30 ECEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000494341154 438687485 /nfs/dbraw/zinc/68/74/85/438687485.db2.gz NGMPQKQAWHDOQH-LBPRGKRZSA-N 1 2 339.417 0.254 20 30 ECEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000494341154 438687487 /nfs/dbraw/zinc/68/74/87/438687487.db2.gz NGMPQKQAWHDOQH-LBPRGKRZSA-N 1 2 339.417 0.254 20 30 ECEDLO C=CCOc1ccc(CC(=O)N(CCO)CC[NH+]2CCOCC2)cc1 ZINC000450257657 438690221 /nfs/dbraw/zinc/69/02/21/438690221.db2.gz WWWQLWCKELOJEW-UHFFFAOYSA-N 1 2 348.443 0.947 20 30 ECEDLO C[N@H+](CCC#N)C[C@H](O)CN1C(=O)C[C@@](C)(c2ccccc2)C1=O ZINC000414158568 438699639 /nfs/dbraw/zinc/69/96/39/438699639.db2.gz ZHAGDGNXZGIREY-YJBOKZPZSA-N 1 2 329.400 0.910 20 30 ECEDLO C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)C[C@@](C)(c2ccccc2)C1=O ZINC000414158568 438699641 /nfs/dbraw/zinc/69/96/41/438699641.db2.gz ZHAGDGNXZGIREY-YJBOKZPZSA-N 1 2 329.400 0.910 20 30 ECEDLO CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)CC2(C#N)CCC2)CC1 ZINC000548441157 438729202 /nfs/dbraw/zinc/72/92/02/438729202.db2.gz BNMVLARIIBZGLM-UHFFFAOYSA-N 1 2 342.465 0.154 20 30 ECEDLO CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)CC2(C#N)CCC2)CC1 ZINC000548441157 438729207 /nfs/dbraw/zinc/72/92/07/438729207.db2.gz BNMVLARIIBZGLM-UHFFFAOYSA-N 1 2 342.465 0.154 20 30 ECEDLO C=CCOC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)C(=O)OC ZINC000576682715 438793688 /nfs/dbraw/zinc/79/36/88/438793688.db2.gz ZESSKSBQKVNWOF-GFCCVEGCSA-N 1 2 331.332 0.136 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N[C@@H]3CCOC3)CC2)cc1 ZINC000588045537 438815126 /nfs/dbraw/zinc/81/51/26/438815126.db2.gz YFYHDQVAUNNBQD-MRXNPFEDSA-N 1 2 342.399 0.108 20 30 ECEDLO N#Cc1cc(Br)cnc1N[C@H](CO)C[NH+]1CCOCC1 ZINC000601177529 438827129 /nfs/dbraw/zinc/82/71/29/438827129.db2.gz WEZCJPKIULGFGU-LBPRGKRZSA-N 1 2 341.209 0.821 20 30 ECEDLO CN(c1ccc(OC[C@H](O)C[N@H+](C)CCC#N)cc1)S(C)(=O)=O ZINC000577377876 438838116 /nfs/dbraw/zinc/83/81/16/438838116.db2.gz CVSILKRQCQNPLG-CQSZACIVSA-N 1 2 341.433 0.668 20 30 ECEDLO CN(c1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)cc1)S(C)(=O)=O ZINC000577377876 438838120 /nfs/dbraw/zinc/83/81/20/438838120.db2.gz CVSILKRQCQNPLG-CQSZACIVSA-N 1 2 341.433 0.668 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000577580468 438853735 /nfs/dbraw/zinc/85/37/35/438853735.db2.gz DYRAMWRESOWAKJ-CABCVRRESA-N 1 2 346.435 0.241 20 30 ECEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@@H](CO)C1 ZINC000601469096 438908549 /nfs/dbraw/zinc/90/85/49/438908549.db2.gz KAGUMXNHFVRHCH-LLVKDONJSA-N 1 2 329.809 0.509 20 30 ECEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@@H](CO)C1 ZINC000601469096 438908552 /nfs/dbraw/zinc/90/85/52/438908552.db2.gz KAGUMXNHFVRHCH-LLVKDONJSA-N 1 2 329.809 0.509 20 30 ECEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000601417799 438885253 /nfs/dbraw/zinc/88/52/53/438885253.db2.gz DBAZRGMDXWGJGE-UHFFFAOYSA-N 1 2 335.429 0.819 20 30 ECEDLO Cc1cc(N(C)C[C@@H](O)C[NH+]2CCOCC2)cc(C#N)c1[N+](=O)[O-] ZINC000596158778 438934115 /nfs/dbraw/zinc/93/41/15/438934115.db2.gz JWQTWNKJLBHAJO-OAHLLOKOSA-N 1 2 334.376 0.904 20 30 ECEDLO C[C@@H]1NC(=O)N(CC[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)C1=O ZINC000459313115 438958437 /nfs/dbraw/zinc/95/84/37/438958437.db2.gz OQPYBIKVLUVHGM-AWEZNQCLSA-N 1 2 341.415 0.616 20 30 ECEDLO N#CCNC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000517522204 438968319 /nfs/dbraw/zinc/96/83/19/438968319.db2.gz QZFOJCNVCURQQN-UHFFFAOYSA-N 1 2 330.388 0.215 20 30 ECEDLO Cn1ncc(C#N)c1NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000596515643 438971912 /nfs/dbraw/zinc/97/19/12/438971912.db2.gz PSMOLDHJIOBDFU-GOSISDBHSA-N 1 2 341.415 0.967 20 30 ECEDLO Cn1ncc(C#N)c1NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000596515643 438971918 /nfs/dbraw/zinc/97/19/18/438971918.db2.gz PSMOLDHJIOBDFU-GOSISDBHSA-N 1 2 341.415 0.967 20 30 ECEDLO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000579081017 438978310 /nfs/dbraw/zinc/97/83/10/438978310.db2.gz RRNDHEWWDVQGAT-SJORKVTESA-N 1 2 349.456 0.737 20 30 ECEDLO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000579081017 438978316 /nfs/dbraw/zinc/97/83/16/438978316.db2.gz RRNDHEWWDVQGAT-SJORKVTESA-N 1 2 349.456 0.737 20 30 ECEDLO C=CCCSCCNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000596716934 438992865 /nfs/dbraw/zinc/99/28/65/438992865.db2.gz JXJWKDOWNYUTEX-UHFFFAOYSA-N 1 2 328.482 0.887 20 30 ECEDLO COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000579297416 438997225 /nfs/dbraw/zinc/99/72/25/438997225.db2.gz SXOQBIPPTGOFOC-LLVKDONJSA-N 1 2 339.355 0.902 20 30 ECEDLO COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000579297416 438997230 /nfs/dbraw/zinc/99/72/30/438997230.db2.gz SXOQBIPPTGOFOC-LLVKDONJSA-N 1 2 339.355 0.902 20 30 ECEDLO N#Cc1ccnc(N2CCN(C(=O)[C@@H]([NH3+])c3cscn3)CC2)c1 ZINC000519602882 439046378 /nfs/dbraw/zinc/04/63/78/439046378.db2.gz SDFFUXZPXKNKJP-AWEZNQCLSA-N 1 2 328.401 0.758 20 30 ECEDLO C[NH+]1CCC(C#N)(NC(=O)CCS(=O)(=O)C2CCCC2)CC1 ZINC000520711464 439095198 /nfs/dbraw/zinc/09/51/98/439095198.db2.gz HHMAVAQVWPIHIP-UHFFFAOYSA-N 1 2 327.450 0.838 20 30 ECEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(NS(C)(=O)=O)c1 ZINC000566968942 439103560 /nfs/dbraw/zinc/10/35/60/439103560.db2.gz MTBNNBZNRRCXEJ-AWEZNQCLSA-N 1 2 326.422 0.676 20 30 ECEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(NS(C)(=O)=O)c1 ZINC000566968942 439103563 /nfs/dbraw/zinc/10/35/63/439103563.db2.gz MTBNNBZNRRCXEJ-AWEZNQCLSA-N 1 2 326.422 0.676 20 30 ECEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000592147715 439168189 /nfs/dbraw/zinc/16/81/89/439168189.db2.gz RNRXZNHSPAHPNU-QFBILLFUSA-N 1 2 342.443 0.980 20 30 ECEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000592147715 439168193 /nfs/dbraw/zinc/16/81/93/439168193.db2.gz RNRXZNHSPAHPNU-QFBILLFUSA-N 1 2 342.443 0.980 20 30 ECEDLO C[C@@H]1Oc2ccccc2N(CC(=O)N[C@](C)(C#N)C[NH+](C)C)C1=O ZINC000567165381 439118948 /nfs/dbraw/zinc/11/89/48/439118948.db2.gz MEQCKGWLXGGHJA-YVEFUNNKSA-N 1 2 330.388 0.761 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCS(=O)(=O)N1CCCC1 ZINC000567239648 439126517 /nfs/dbraw/zinc/12/65/17/439126517.db2.gz XKNAAFRAJKOSKU-CQSZACIVSA-N 1 2 330.454 0.152 20 30 ECEDLO C[C@@](O)(C[C@@H](O)CN(CCC#N)CC[NH+]1CCOCC1)C1CC1 ZINC000602779870 439134897 /nfs/dbraw/zinc/13/48/97/439134897.db2.gz UAGYERSRAIYLRF-IAGOWNOFSA-N 1 2 325.453 0.446 20 30 ECEDLO C[C@@](O)(C[C@@H](O)C[N@H+](CCC#N)CCN1CCOCC1)C1CC1 ZINC000602779870 439134903 /nfs/dbraw/zinc/13/49/03/439134903.db2.gz UAGYERSRAIYLRF-IAGOWNOFSA-N 1 2 325.453 0.446 20 30 ECEDLO C[C@@](O)(C[C@@H](O)C[N@@H+](CCC#N)CCN1CCOCC1)C1CC1 ZINC000602779870 439134909 /nfs/dbraw/zinc/13/49/09/439134909.db2.gz UAGYERSRAIYLRF-IAGOWNOFSA-N 1 2 325.453 0.446 20 30 ECEDLO C[C@](O)(C[C@@H](O)CN(CCC#N)CC[NH+]1CCOCC1)C1CC1 ZINC000602780427 439135451 /nfs/dbraw/zinc/13/54/51/439135451.db2.gz UAGYERSRAIYLRF-SJORKVTESA-N 1 2 325.453 0.446 20 30 ECEDLO C[C@](O)(C[C@@H](O)C[N@H+](CCC#N)CCN1CCOCC1)C1CC1 ZINC000602780427 439135456 /nfs/dbraw/zinc/13/54/56/439135456.db2.gz UAGYERSRAIYLRF-SJORKVTESA-N 1 2 325.453 0.446 20 30 ECEDLO C[C@](O)(C[C@@H](O)C[N@@H+](CCC#N)CCN1CCOCC1)C1CC1 ZINC000602780427 439135461 /nfs/dbraw/zinc/13/54/61/439135461.db2.gz UAGYERSRAIYLRF-SJORKVTESA-N 1 2 325.453 0.446 20 30 ECEDLO C[C@H](NC(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1)C(=O)N1CCCCC1 ZINC000602854238 439143937 /nfs/dbraw/zinc/14/39/37/439143937.db2.gz AZLFIZHXFRFUNP-JYJNAYRXSA-N 1 2 349.479 0.422 20 30 ECEDLO C[C@@H]1C[NH+](CC(=O)N2CC(=O)Nc3ccccc32)C[C@@H](C)N1CC#N ZINC000602860007 439146584 /nfs/dbraw/zinc/14/65/84/439146584.db2.gz HJYHNUVEAFCWPX-ZIAGYGMSSA-N 1 2 341.415 0.890 20 30 ECEDLO COc1cc(C#N)ccc1NC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000526137325 439242451 /nfs/dbraw/zinc/24/24/51/439242451.db2.gz ACZSEXODNBKRCN-UHFFFAOYSA-N 1 2 346.387 0.296 20 30 ECEDLO Cc1nc(N2CCN([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)cc[nH+]1 ZINC000527049885 439251419 /nfs/dbraw/zinc/25/14/19/439251419.db2.gz PLKBHKZCOMXWIC-ZDUSSCGKSA-N 1 2 328.420 0.858 20 30 ECEDLO CC[C@@H](C#N)C(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000598362416 439255592 /nfs/dbraw/zinc/25/55/92/439255592.db2.gz AAWDCBIODRNOPS-WMZOPIPTSA-N 1 2 331.416 0.916 20 30 ECEDLO CC[C@@H](C#N)C(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000598362416 439255599 /nfs/dbraw/zinc/25/55/99/439255599.db2.gz AAWDCBIODRNOPS-WMZOPIPTSA-N 1 2 331.416 0.916 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\c2cnccc2C)CC1 ZINC000490934565 439315205 /nfs/dbraw/zinc/31/52/05/439315205.db2.gz JJVOOKKPMVLVQQ-WAYWQWQTSA-N 1 2 340.427 0.687 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\c2cnccc2C)CC1 ZINC000490934565 439315209 /nfs/dbraw/zinc/31/52/09/439315209.db2.gz JJVOOKKPMVLVQQ-WAYWQWQTSA-N 1 2 340.427 0.687 20 30 ECEDLO C#C[C@H](NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)C(C)C ZINC000490973278 439320337 /nfs/dbraw/zinc/32/03/37/439320337.db2.gz JUHNCXSPUUJNQK-INIZCTEOSA-N 1 2 334.464 0.888 20 30 ECEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(Cn2cccnc2=O)c1 ZINC000569332865 439323928 /nfs/dbraw/zinc/32/39/28/439323928.db2.gz DXPHRSKURRFCML-KRWDZBQOSA-N 1 2 341.415 0.910 20 30 ECEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(Cn2cccnc2=O)c1 ZINC000569332865 439323936 /nfs/dbraw/zinc/32/39/36/439323936.db2.gz DXPHRSKURRFCML-KRWDZBQOSA-N 1 2 341.415 0.910 20 30 ECEDLO CN1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C(C)(C)C1=O ZINC000528401669 439333245 /nfs/dbraw/zinc/33/32/45/439333245.db2.gz YXXSKIBHUDTFIJ-UHFFFAOYSA-N 1 2 339.395 0.839 20 30 ECEDLO CN1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C(C)(C)C1=O ZINC000528401669 439333247 /nfs/dbraw/zinc/33/32/47/439333247.db2.gz YXXSKIBHUDTFIJ-UHFFFAOYSA-N 1 2 339.395 0.839 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](Cc2ccc(C(=O)OC)cc2)CC1 ZINC000491128148 439337940 /nfs/dbraw/zinc/33/79/40/439337940.db2.gz ZEQLNUCREKWFDZ-UHFFFAOYSA-N 1 2 329.400 0.340 20 30 ECEDLO CC(C)(C#N)C[C@@H](O)C[NH+]1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000598608204 439286675 /nfs/dbraw/zinc/28/66/75/439286675.db2.gz MDPWGSQIATWWPA-CYBMUJFWSA-N 1 2 329.466 0.833 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(C)cc2C(=O)OC)CC1 ZINC000490762706 439296425 /nfs/dbraw/zinc/29/64/25/439296425.db2.gz KEOBIXWAEACIJD-UHFFFAOYSA-N 1 2 330.384 0.938 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000598644890 439296541 /nfs/dbraw/zinc/29/65/41/439296541.db2.gz UDBQNSVKZVWMRC-CYBMUJFWSA-N 1 2 337.401 0.258 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(C(=O)OC)cc2OC)CC1 ZINC000490778921 439298797 /nfs/dbraw/zinc/29/87/97/439298797.db2.gz OSUMSHNAINQQNX-UHFFFAOYSA-N 1 2 346.383 0.638 20 30 ECEDLO C#CCN1CCN(C(=O)CO[NH+]=C(N)c2ccc(Cl)cc2)CC1 ZINC000490800978 439300106 /nfs/dbraw/zinc/30/01/06/439300106.db2.gz ZBJQIIJSDJHUNK-UHFFFAOYSA-N 1 2 334.807 0.754 20 30 ECEDLO C#CC[N@@H+](CC)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000490850502 439303047 /nfs/dbraw/zinc/30/30/47/439303047.db2.gz BHRKXYVJEKEYIJ-UHFFFAOYSA-N 1 2 329.809 0.881 20 30 ECEDLO C#CC[N@H+](CC)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000490850502 439303051 /nfs/dbraw/zinc/30/30/51/439303051.db2.gz BHRKXYVJEKEYIJ-UHFFFAOYSA-N 1 2 329.809 0.881 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2ccccc2OCCOC)CC1 ZINC000490865783 439304758 /nfs/dbraw/zinc/30/47/58/439304758.db2.gz HKEANNNEEKIGLD-INIZCTEOSA-N 1 2 345.443 0.972 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000582249913 439310371 /nfs/dbraw/zinc/31/03/71/439310371.db2.gz CTLSSEPPYBREDC-CHWSQXEVSA-N 1 2 339.403 0.987 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000582249913 439310378 /nfs/dbraw/zinc/31/03/78/439310378.db2.gz CTLSSEPPYBREDC-CHWSQXEVSA-N 1 2 339.403 0.987 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cn3c(n2)CCCC3)CC1 ZINC000491285123 439362162 /nfs/dbraw/zinc/36/21/62/439362162.db2.gz BNLJCZNVILULLY-UHFFFAOYSA-N 1 2 343.431 0.117 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cn3c(n2)CCCC3)CC1 ZINC000491285123 439362166 /nfs/dbraw/zinc/36/21/66/439362166.db2.gz BNLJCZNVILULLY-UHFFFAOYSA-N 1 2 343.431 0.117 20 30 ECEDLO C#C[C@H](C)[N@H+](C)Cn1c2ccc(S(=O)(=O)N(C)C)cc2oc1=O ZINC000491286109 439362457 /nfs/dbraw/zinc/36/24/57/439362457.db2.gz GXEWCQCBXNXLMZ-NSHDSACASA-N 1 2 337.401 0.756 20 30 ECEDLO C#C[C@H](C)[N@@H+](C)Cn1c2ccc(S(=O)(=O)N(C)C)cc2oc1=O ZINC000491286109 439362461 /nfs/dbraw/zinc/36/24/61/439362461.db2.gz GXEWCQCBXNXLMZ-NSHDSACASA-N 1 2 337.401 0.756 20 30 ECEDLO CCC(C#N)(CC)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000528600764 439351172 /nfs/dbraw/zinc/35/11/72/439351172.db2.gz XHUFXJHONBXNKF-CQSZACIVSA-N 1 2 336.436 0.366 20 30 ECEDLO C[C@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1ccc(C#N)cc1F ZINC000599090129 439355611 /nfs/dbraw/zinc/35/56/11/439355611.db2.gz JKICOIYQLDZKNW-JTQLQIEISA-N 1 2 326.397 0.839 20 30 ECEDLO C[C@@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1ccc(C#N)cc1F ZINC000599090134 439356157 /nfs/dbraw/zinc/35/61/57/439356157.db2.gz JKICOIYQLDZKNW-SNVBAGLBSA-N 1 2 326.397 0.839 20 30 ECEDLO CC(=O)NCC(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000528734301 439366556 /nfs/dbraw/zinc/36/65/56/439366556.db2.gz KJDIIXWLQNHFEF-UHFFFAOYSA-N 1 2 331.391 0.848 20 30 ECEDLO CC(=O)NCC(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000528734301 439366558 /nfs/dbraw/zinc/36/65/58/439366558.db2.gz KJDIIXWLQNHFEF-UHFFFAOYSA-N 1 2 331.391 0.848 20 30 ECEDLO C#CCN1C(=O)C[C@@H]([NH+]2CCN(c3ccc(Cl)cn3)CC2)C1=O ZINC000491392141 439375449 /nfs/dbraw/zinc/37/54/49/439375449.db2.gz AEUFBNOXVHBPSE-CYBMUJFWSA-N 1 2 332.791 0.618 20 30 ECEDLO COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000593523586 439392745 /nfs/dbraw/zinc/39/27/45/439392745.db2.gz PRNUKDSGCMRMDT-UHFFFAOYSA-N 1 2 348.384 0.910 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCC[C@@]3(CCCCO3)[C@@H]2C#N)CC1 ZINC000491506082 439396586 /nfs/dbraw/zinc/39/65/86/439396586.db2.gz OJMHYTZWEQTPLO-HKUYNNGSSA-N 1 2 344.459 0.691 20 30 ECEDLO C#C[C@@H]1COCCN1C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000491507009 439396606 /nfs/dbraw/zinc/39/66/06/439396606.db2.gz SKIJUIQIVLCUDF-CYBMUJFWSA-N 1 2 326.356 0.681 20 30 ECEDLO CCOC(=O)C[C@H](O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000599260813 439405122 /nfs/dbraw/zinc/40/51/22/439405122.db2.gz GEFWTEZSUPJIOH-KRWDZBQOSA-N 1 2 331.416 0.990 20 30 ECEDLO CCOC(=O)C[C@H](O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000599260813 439405126 /nfs/dbraw/zinc/40/51/26/439405126.db2.gz GEFWTEZSUPJIOH-KRWDZBQOSA-N 1 2 331.416 0.990 20 30 ECEDLO C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000491627073 439415025 /nfs/dbraw/zinc/41/50/25/439415025.db2.gz JQLVXPPGMRQHMO-OAHLLOKOSA-N 1 2 344.419 0.960 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000491724683 439435077 /nfs/dbraw/zinc/43/50/77/439435077.db2.gz ABCQTVPNXQZPSN-UHFFFAOYSA-N 1 2 338.751 0.799 20 30 ECEDLO C#CC[N@@H+](CCNS(=O)(=O)c1cnn(C)c1)Cc1ccccc1 ZINC000491736272 439436948 /nfs/dbraw/zinc/43/69/48/439436948.db2.gz VAIPJQFNVJXPNJ-UHFFFAOYSA-N 1 2 332.429 0.834 20 30 ECEDLO C#CC[N@H+](CCNS(=O)(=O)c1cnn(C)c1)Cc1ccccc1 ZINC000491736272 439436950 /nfs/dbraw/zinc/43/69/50/439436950.db2.gz VAIPJQFNVJXPNJ-UHFFFAOYSA-N 1 2 332.429 0.834 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](CN2C(=O)N[C@@](C)(C(C)(C)C)C2=O)CC1 ZINC000491746117 439439379 /nfs/dbraw/zinc/43/93/79/439439379.db2.gz QCQFTABJNCBRSH-GOSISDBHSA-N 1 2 348.447 0.762 20 30 ECEDLO C#CCN1C(=O)C[C@H]([N@@H+]2CCc3c(cccc3C(=O)OC)C2)C1=O ZINC000491772802 439445780 /nfs/dbraw/zinc/44/57/80/439445780.db2.gz RAFUIXFEEHXMPG-HNNXBMFYSA-N 1 2 326.352 0.592 20 30 ECEDLO C#CCN1C(=O)C[C@H]([N@H+]2CCc3c(cccc3C(=O)OC)C2)C1=O ZINC000491772802 439445781 /nfs/dbraw/zinc/44/57/81/439445781.db2.gz RAFUIXFEEHXMPG-HNNXBMFYSA-N 1 2 326.352 0.592 20 30 ECEDLO C#CCN1CCN(C(=O)C[NH+]2CCC(c3nnc(CC)[nH]3)CC2)CC1 ZINC000491777589 439448364 /nfs/dbraw/zinc/44/83/64/439448364.db2.gz DMGAFVIDPGJTIU-UHFFFAOYSA-N 1 2 344.463 0.324 20 30 ECEDLO C#CCN1CCN(C(=O)C[NH+]2CCC(c3nc(CC)n[nH]3)CC2)CC1 ZINC000491777589 439448372 /nfs/dbraw/zinc/44/83/72/439448372.db2.gz DMGAFVIDPGJTIU-UHFFFAOYSA-N 1 2 344.463 0.324 20 30 ECEDLO Cc1oc(C#N)cc1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000529749593 439449278 /nfs/dbraw/zinc/44/92/78/439449278.db2.gz BBBDQRKNSPCELV-KRWDZBQOSA-N 1 2 333.388 0.805 20 30 ECEDLO Cc1oc(C#N)cc1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000529749593 439449283 /nfs/dbraw/zinc/44/92/83/439449283.db2.gz BBBDQRKNSPCELV-KRWDZBQOSA-N 1 2 333.388 0.805 20 30 ECEDLO C#C[C@@H]1COCCN1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000491787045 439451159 /nfs/dbraw/zinc/45/11/59/439451159.db2.gz XFDMBUVXIYFZJK-GDBMZVCRSA-N 1 2 339.461 0.238 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000583600080 439484283 /nfs/dbraw/zinc/48/42/83/439484283.db2.gz HJTUJPYAXGAOFM-YOEHRIQHSA-N 1 2 335.452 0.874 20 30 ECEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000530671687 439502714 /nfs/dbraw/zinc/50/27/14/439502714.db2.gz FHZNPYZTXBPOMW-CQSZACIVSA-N 1 2 340.427 0.912 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CC(=O)N([C@@H](C)C2CC2)C2CC2)CC1 ZINC000491814853 439457237 /nfs/dbraw/zinc/45/72/37/439457237.db2.gz OKQNIZJBEKYYAW-HNNXBMFYSA-N 1 2 346.475 0.143 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnc3n2CCCC3)CC1 ZINC000491817188 439458344 /nfs/dbraw/zinc/45/83/44/439458344.db2.gz XWZUPCYQOOEOQB-UHFFFAOYSA-N 1 2 343.431 0.117 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnc3n2CCCC3)CC1 ZINC000491817188 439458351 /nfs/dbraw/zinc/45/83/51/439458351.db2.gz XWZUPCYQOOEOQB-UHFFFAOYSA-N 1 2 343.431 0.117 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1=O ZINC000531957520 439514494 /nfs/dbraw/zinc/51/44/94/439514494.db2.gz RTOQFAQNADLDID-PMPSAXMXSA-N 1 2 335.448 0.875 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1=O ZINC000531957520 439514499 /nfs/dbraw/zinc/51/44/99/439514499.db2.gz RTOQFAQNADLDID-PMPSAXMXSA-N 1 2 335.448 0.875 20 30 ECEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000609485576 439570874 /nfs/dbraw/zinc/57/08/74/439570874.db2.gz SSWLICPYJIMGOM-PMPSAXMXSA-N 1 2 349.479 0.265 20 30 ECEDLO N#Cc1ccncc1N1CC[NH+](CCn2nc3ccccn3c2=O)CC1 ZINC000572314037 439572994 /nfs/dbraw/zinc/57/29/94/439572994.db2.gz LUTSEZUVWDIKNA-UHFFFAOYSA-N 1 2 349.398 0.585 20 30 ECEDLO COc1cc(NC(=O)C(=O)N2CCn3c[nH+]cc3C2)c(F)cc1C#N ZINC000599983445 439590108 /nfs/dbraw/zinc/59/01/08/439590108.db2.gz UIMJDPJIIBIDNA-UHFFFAOYSA-N 1 2 343.318 0.883 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCN1CCCS1(=O)=O ZINC000610615281 439631266 /nfs/dbraw/zinc/63/12/66/439631266.db2.gz ZELYYQHAQXWITQ-DZGCQCFKSA-N 1 2 344.481 0.397 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CCN1CCCS1(=O)=O ZINC000610615281 439631269 /nfs/dbraw/zinc/63/12/69/439631269.db2.gz ZELYYQHAQXWITQ-DZGCQCFKSA-N 1 2 344.481 0.397 20 30 ECEDLO Cc1nccc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)n1 ZINC000594902258 439641988 /nfs/dbraw/zinc/64/19/88/439641988.db2.gz TWTYOVSLCYYPAW-UHFFFAOYSA-N 1 2 325.372 0.699 20 30 ECEDLO Cc1cn2ccc(NC(=O)C(=O)N3CC[C@](O)(CC#N)C3)cc2[nH+]1 ZINC000595045284 439650985 /nfs/dbraw/zinc/65/09/85/439650985.db2.gz SUCIEIIOLMTXJI-MRXNPFEDSA-N 1 2 327.344 0.458 20 30 ECEDLO Cc1cc(NC(=O)C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)ncc1C#N ZINC000595124411 439657031 /nfs/dbraw/zinc/65/70/31/439657031.db2.gz CIODINMEJWFEOQ-QWHCGFSZSA-N 1 2 345.403 0.426 20 30 ECEDLO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)ncc1C#N ZINC000595124411 439657034 /nfs/dbraw/zinc/65/70/34/439657034.db2.gz CIODINMEJWFEOQ-QWHCGFSZSA-N 1 2 345.403 0.426 20 30 ECEDLO N#Cc1cccnc1N1CCN(C(=O)C2([NH+]3CCOCC3)CC2)CC1 ZINC000600978540 439720537 /nfs/dbraw/zinc/72/05/37/439720537.db2.gz VIZOEUNTLFRTQJ-UHFFFAOYSA-N 1 2 341.415 0.467 20 30 ECEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611174682 439677458 /nfs/dbraw/zinc/67/74/58/439677458.db2.gz ORWUBYZQBGALBP-CABCVRRESA-N 1 2 335.452 0.922 20 30 ECEDLO C[C@@H](C#N)CN(C)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000611369998 439693488 /nfs/dbraw/zinc/69/34/88/439693488.db2.gz JOMWZQYRSHMYPW-ZDUSSCGKSA-N 1 2 337.449 0.614 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000611431317 439697219 /nfs/dbraw/zinc/69/72/19/439697219.db2.gz OMCOHXZTPKVERX-ZDUSSCGKSA-N 1 2 333.440 0.239 20 30 ECEDLO C=CCOCCCNC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000658643359 440045223 /nfs/dbraw/zinc/04/52/23/440045223.db2.gz GUPMXKOYJKPXBK-UHFFFAOYSA-N 1 2 347.419 0.143 20 30 ECEDLO Cn1c[nH+]c(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000618904929 440174072 /nfs/dbraw/zinc/17/40/72/440174072.db2.gz JTDXCNAFVWJUEM-UHFFFAOYSA-N 1 2 345.428 0.798 20 30 ECEDLO C=CCCCS(=O)(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000632491334 440250531 /nfs/dbraw/zinc/25/05/31/440250531.db2.gz FQMRCWGOGLVPEL-CQSZACIVSA-N 1 2 329.466 0.567 20 30 ECEDLO C=CC(C)(C)CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000628317079 440454239 /nfs/dbraw/zinc/45/42/39/440454239.db2.gz VJZYEUQULUYHQA-OAHLLOKOSA-N 1 2 337.464 0.886 20 30 ECEDLO CC#CC[C@@H](CO)NC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000645155998 440755596 /nfs/dbraw/zinc/75/55/96/440755596.db2.gz FWZBPHMCEAXHCM-ZBFHGGJFSA-N 1 2 346.431 0.880 20 30 ECEDLO C=CC[N@H+](CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)[C@H](C)COC ZINC000661244427 440820410 /nfs/dbraw/zinc/82/04/10/440820410.db2.gz UCJGUJDHECQGCJ-SNVBAGLBSA-N 1 2 336.392 0.572 20 30 ECEDLO C=CC[N@@H+](CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)[C@H](C)COC ZINC000661244427 440820411 /nfs/dbraw/zinc/82/04/11/440820411.db2.gz UCJGUJDHECQGCJ-SNVBAGLBSA-N 1 2 336.392 0.572 20 30 ECEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1cccc(C#N)n1 ZINC000573367781 322760833 /nfs/dbraw/zinc/76/08/33/322760833.db2.gz PBOMBFLWHVYYRZ-TZMCWYRMSA-N 1 2 343.387 0.213 20 30 ECEDLO N#Cc1ccc(CN2CC[NH+](CC(=O)NC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000573851885 322769264 /nfs/dbraw/zinc/76/92/64/322769264.db2.gz AIZRNWIKQGNEMG-UHFFFAOYSA-N 1 2 343.387 0.863 20 30 ECEDLO Cc1cc(NC(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)ncc1C#N ZINC000577863273 322848708 /nfs/dbraw/zinc/84/87/08/322848708.db2.gz XZCNUZPBVDCPKI-ZDUSSCGKSA-N 1 2 345.403 0.379 20 30 ECEDLO Cn1cncc1CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001078008750 782125379 /nfs/dbraw/zinc/12/53/79/782125379.db2.gz VLKXCTZXBPROLV-QZTJIDSGSA-N 1 2 338.411 0.176 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O ZINC001078008750 782125384 /nfs/dbraw/zinc/12/53/84/782125384.db2.gz VLKXCTZXBPROLV-QZTJIDSGSA-N 1 2 338.411 0.176 20 30 ECEDLO Cn1cncc1CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001078008750 782125372 /nfs/dbraw/zinc/12/53/72/782125372.db2.gz VLKXCTZXBPROLV-QZTJIDSGSA-N 1 2 338.411 0.176 20 30 ECEDLO CC[N@H+](CCS(C)(=O)=O)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000154247033 528580270 /nfs/dbraw/zinc/58/02/70/528580270.db2.gz AWAQVQNZQUQBRU-CQSZACIVSA-N 1 2 326.418 0.664 20 30 ECEDLO CC[N@@H+](CCS(C)(=O)=O)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000154247033 528580274 /nfs/dbraw/zinc/58/02/74/528580274.db2.gz AWAQVQNZQUQBRU-CQSZACIVSA-N 1 2 326.418 0.664 20 30 ECEDLO N#Cc1ccnc(N2CC[NH+](CC(=O)NC3CCOCC3)CC2)c1 ZINC000076292295 545691413 /nfs/dbraw/zinc/69/14/13/545691413.db2.gz PQZWZWOOYCNOPE-UHFFFAOYSA-N 1 2 329.404 0.370 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NC2CCOCC2)CC1 ZINC000328889697 546008722 /nfs/dbraw/zinc/00/87/22/546008722.db2.gz RADQRNAIIBQUAS-UHFFFAOYSA-N 1 2 345.407 0.578 20 30 ECEDLO O=C(CCNC(=O)[C@H]1COCCO1)N1CCN(c2cccc[nH+]2)CC1 ZINC000328899773 546009303 /nfs/dbraw/zinc/00/93/03/546009303.db2.gz ZDZXMYNUYQXMAD-CQSZACIVSA-N 1 2 348.403 0.492 20 30 ECEDLO Cc1noc([C@H](C)NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)n1 ZINC000329576632 546027603 /nfs/dbraw/zinc/02/76/03/546027603.db2.gz SJGQCMKFLPCFHN-NSHDSACASA-N 1 2 349.395 0.994 20 30 ECEDLO N#CC1(CS(=O)(=O)NC[C@@H](O)C[NH+]2CCOCC2)CCCCC1 ZINC000330018710 546037168 /nfs/dbraw/zinc/03/71/68/546037168.db2.gz TZLZITDGFHIUIM-CQSZACIVSA-N 1 2 345.465 0.073 20 30 ECEDLO C[C@@H](CNC(=O)Nc1ccc(C(F)(F)F)nn1)[NH+]1CCOCC1 ZINC000330083912 546039474 /nfs/dbraw/zinc/03/94/74/546039474.db2.gz BQNRUCXKDASUJL-VIFPVBQESA-N 1 2 333.314 1.542 20 30 ECEDLO C=C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1)C(=O)OC ZINC000619703300 546358953 /nfs/dbraw/zinc/35/89/53/546358953.db2.gz ZQNWQMUNAOTGEF-CQSZACIVSA-N 1 2 346.449 0.277 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000624159276 546884978 /nfs/dbraw/zinc/88/49/78/546884978.db2.gz XWZSJLYNMUJZNI-ZACQAIPSSA-N 1 2 346.431 0.925 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000624159276 546884982 /nfs/dbraw/zinc/88/49/82/546884982.db2.gz XWZSJLYNMUJZNI-ZACQAIPSSA-N 1 2 346.431 0.925 20 30 ECEDLO C=CCOCCCNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000668648248 547711724 /nfs/dbraw/zinc/71/17/24/547711724.db2.gz XMIPGSFEBCECIA-UHFFFAOYSA-N 1 2 331.416 0.827 20 30 ECEDLO C=C(C)Cn1c(-c2cn(C)nn2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000669331229 547877825 /nfs/dbraw/zinc/87/78/25/547877825.db2.gz CPQQRKZQOYYWDT-UHFFFAOYSA-N 1 2 346.439 0.418 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3c(C)noc3C)C[C@H]2O)nc1 ZINC001078030296 782174950 /nfs/dbraw/zinc/17/49/50/782174950.db2.gz RRBCGPJASOCPHY-IAGOWNOFSA-N 1 2 340.383 0.643 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3c(C)noc3C)C[C@H]2O)nc1 ZINC001078030296 782174953 /nfs/dbraw/zinc/17/49/53/782174953.db2.gz RRBCGPJASOCPHY-IAGOWNOFSA-N 1 2 340.383 0.643 20 30 ECEDLO Cc1c(N[NH+]=Cc2c(N)n(C)c(=O)n(C)c2=O)cccc1[N+](=O)[O-] ZINC000749815360 579343640 /nfs/dbraw/zinc/34/36/40/579343640.db2.gz NIIKIHMYJDDPIR-UHFFFAOYSA-N 1 2 332.320 0.329 20 30 ECEDLO CC(CCO)N=Nc1ncccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000749860218 579344234 /nfs/dbraw/zinc/34/42/34/579344234.db2.gz XNJBMZOCGKHXAQ-UHFFFAOYSA-N 1 2 341.437 0.188 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)Nc1cc(OC)cc(OC)c1 ZINC000752742731 579390298 /nfs/dbraw/zinc/39/02/98/579390298.db2.gz COPVFMCSEVUWQB-INIZCTEOSA-N 1 2 345.399 0.856 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)Nc1cc(OC)cc(OC)c1 ZINC000752742731 579390300 /nfs/dbraw/zinc/39/03/00/579390300.db2.gz COPVFMCSEVUWQB-INIZCTEOSA-N 1 2 345.399 0.856 20 30 ECEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(NN=Cc3cc[nH]n3)cc2)CC1 ZINC000755699311 579437611 /nfs/dbraw/zinc/43/76/11/579437611.db2.gz XSOVYLDRGCPKEZ-UHFFFAOYSA-N 1 2 348.432 0.792 20 30 ECEDLO COC(=O)c1cccc(CN2CC[NH+](CC[S@](C)=O)CC2)c1C#N ZINC000756602494 579451987 /nfs/dbraw/zinc/45/19/87/579451987.db2.gz VNRLEOUGCJWMJT-DEOSSOPVSA-N 1 2 349.456 0.841 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000756884409 579456274 /nfs/dbraw/zinc/45/62/74/579456274.db2.gz IUJWLLMDHKBMCE-ZNMIVQPWSA-N 1 2 346.431 0.959 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000756884409 579456275 /nfs/dbraw/zinc/45/62/75/579456275.db2.gz IUJWLLMDHKBMCE-ZNMIVQPWSA-N 1 2 346.431 0.959 20 30 ECEDLO CC1(C)C[N@H+](CCNC(=O)NCCNc2ccc(C#N)cn2)CCO1 ZINC000726096741 578138027 /nfs/dbraw/zinc/13/80/27/578138027.db2.gz WUAVZKLXGDVAND-UHFFFAOYSA-N 1 2 346.435 0.775 20 30 ECEDLO CC1(C)C[N@@H+](CCNC(=O)NCCNc2ccc(C#N)cn2)CCO1 ZINC000726096741 578138029 /nfs/dbraw/zinc/13/80/29/578138029.db2.gz WUAVZKLXGDVAND-UHFFFAOYSA-N 1 2 346.435 0.775 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000730104694 578303447 /nfs/dbraw/zinc/30/34/47/578303447.db2.gz WEDOCAUORVEEBP-NSHDSACASA-N 1 2 327.431 0.109 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000730104694 578303448 /nfs/dbraw/zinc/30/34/48/578303448.db2.gz WEDOCAUORVEEBP-NSHDSACASA-N 1 2 327.431 0.109 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000730276300 578304315 /nfs/dbraw/zinc/30/43/15/578304315.db2.gz JWJHBXOOGOCJEJ-KSSFIOAISA-N 1 2 340.383 0.777 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000730276300 578304316 /nfs/dbraw/zinc/30/43/16/578304316.db2.gz JWJHBXOOGOCJEJ-KSSFIOAISA-N 1 2 340.383 0.777 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CSCN2C(=O)C2CCCC2)CC1 ZINC000730292319 578304809 /nfs/dbraw/zinc/30/48/09/578304809.db2.gz ABFAWHQOTUZJFZ-HNNXBMFYSA-N 1 2 335.473 0.856 20 30 ECEDLO C#Cc1ccc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cn1 ZINC000731334856 578312309 /nfs/dbraw/zinc/31/23/09/578312309.db2.gz AHKVDNAGTGYPDO-UHFFFAOYSA-N 1 2 325.372 0.844 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COCCNC(=O)OC(C)(C)C)CC1 ZINC000732577308 578327668 /nfs/dbraw/zinc/32/76/68/578327668.db2.gz BUWFWQBKAAGKAV-UHFFFAOYSA-N 1 2 325.409 0.305 20 30 ECEDLO O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC(n2cc[nH+]c2)C1 ZINC000733885106 578348855 /nfs/dbraw/zinc/34/88/55/578348855.db2.gz PCPZKUWXAJBVLS-UHFFFAOYSA-N 1 2 345.384 0.005 20 30 ECEDLO Cc1ccc(C#N)cc1S(=O)(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000734151325 578353263 /nfs/dbraw/zinc/35/32/63/578353263.db2.gz JOAHYVYPZYJVSC-UHFFFAOYSA-N 1 2 336.417 0.095 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000735427770 578384117 /nfs/dbraw/zinc/38/41/17/578384117.db2.gz FCLIAJNHDVZLTB-CYBMUJFWSA-N 1 2 341.419 0.679 20 30 ECEDLO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]Nc1nc2[nH][nH]cc-2c(=O)n1 ZINC000794909985 578601107 /nfs/dbraw/zinc/60/11/07/578601107.db2.gz VLNDUORWEYTWLP-UHFFFAOYSA-N 1 2 349.358 0.954 20 30 ECEDLO N#Cc1ccccc1S(=O)(=O)NCC(=O)OCCCn1cc[nH+]c1 ZINC000782606483 578729051 /nfs/dbraw/zinc/72/90/51/578729051.db2.gz XZECJVSONXODHT-UHFFFAOYSA-N 1 2 348.384 0.667 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000783307953 578741154 /nfs/dbraw/zinc/74/11/54/578741154.db2.gz BRTRLIHRSWZGRI-CYBMUJFWSA-N 1 2 326.422 0.830 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COCCNC(=O)c2ccccc2)CC1 ZINC000785367300 578766793 /nfs/dbraw/zinc/76/67/93/578766793.db2.gz PAAWNEUKSDVSCG-UHFFFAOYSA-N 1 2 329.400 0.210 20 30 ECEDLO N#CCCCCOC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000786999584 578798831 /nfs/dbraw/zinc/79/88/31/578798831.db2.gz UBCGBJAEUZHLQM-HNNXBMFYSA-N 1 2 337.420 0.937 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1)[C@H]1CCCO1 ZINC000787632551 578811619 /nfs/dbraw/zinc/81/16/19/578811619.db2.gz DHAIDTRUYGJSRK-ZIAGYGMSSA-N 1 2 330.388 0.061 20 30 ECEDLO COCCN(C)c1ccc(C=[NH+]Nc2nc3[nH][nH]cc-3c(=O)n2)cn1 ZINC000790162156 578869059 /nfs/dbraw/zinc/86/90/59/578869059.db2.gz QFQGVOCXFLLWRZ-UHFFFAOYSA-N 1 2 342.363 0.356 20 30 ECEDLO C[N@H+](CC(=O)OCC(=O)N(CCC#N)CCC#N)[C@H]1CCSC1 ZINC000772051136 579199543 /nfs/dbraw/zinc/19/95/43/579199543.db2.gz YSHYBFJWNHBWJA-ZDUSSCGKSA-N 1 2 338.433 0.623 20 30 ECEDLO C[N@@H+](CC(=O)OCC(=O)N(CCC#N)CCC#N)[C@H]1CCSC1 ZINC000772051136 579199544 /nfs/dbraw/zinc/19/95/44/579199544.db2.gz YSHYBFJWNHBWJA-ZDUSSCGKSA-N 1 2 338.433 0.623 20 30 ECEDLO C#C[C@H](NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)[C@@H]1CCCO1 ZINC000773554978 579229921 /nfs/dbraw/zinc/22/99/21/579229921.db2.gz DKAWZNLDYCIVFP-HOTGVXAUSA-N 1 2 348.447 0.117 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3CC(O)(C(C)C)C3)CC2)o1 ZINC000773894037 579235867 /nfs/dbraw/zinc/23/58/67/579235867.db2.gz RCCUHOLPWKEHFE-UHFFFAOYSA-N 1 2 347.419 0.206 20 30 ECEDLO CCOCCCNC(=O)[C@H](C#N)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000773972640 579237716 /nfs/dbraw/zinc/23/77/16/579237716.db2.gz ZDOVIKRLUOZKFE-CHWSQXEVSA-N 1 2 327.450 0.675 20 30 ECEDLO CCOCCCNC(=O)[C@H](C#N)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000773972640 579237717 /nfs/dbraw/zinc/23/77/17/579237717.db2.gz ZDOVIKRLUOZKFE-CHWSQXEVSA-N 1 2 327.450 0.675 20 30 ECEDLO C#C[C@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1CCCO1 ZINC000775627395 579269119 /nfs/dbraw/zinc/26/91/19/579269119.db2.gz UUOFYGAUCPWOEV-GJZGRUSLSA-N 1 2 347.419 0.518 20 30 ECEDLO C#C[C@H](NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)[C@@H]1CCCO1 ZINC000776236219 579278377 /nfs/dbraw/zinc/27/83/77/579278377.db2.gz ZLQWSOGZWTXOSW-GJZGRUSLSA-N 1 2 329.404 0.797 20 30 ECEDLO CC[C@@H]1C[C@H](C=NNC(=S)NCC[NH+]2CCOCC2)CCO1 ZINC000779759371 579320253 /nfs/dbraw/zinc/32/02/53/579320253.db2.gz UJMFPXPJEPLROG-ZIAGYGMSSA-N 1 2 328.482 0.974 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+]([C@H](C)c2ccccc2F)CC1 ZINC000761024311 579519580 /nfs/dbraw/zinc/51/95/80/579519580.db2.gz MGIWLGJKLYNHAZ-CYBMUJFWSA-N 1 2 325.409 0.972 20 30 ECEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(C(=O)NCCO)CC1 ZINC000739912195 579721790 /nfs/dbraw/zinc/72/17/90/579721790.db2.gz GGGIIULVAWZEAT-MRXNPFEDSA-N 1 2 345.399 0.593 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)c2ccc(C)o2)CC1 ZINC000742642594 579789888 /nfs/dbraw/zinc/78/98/88/579789888.db2.gz SQBGBGOSGHSENK-OAHLLOKOSA-N 1 2 331.416 0.975 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)c2ccc(C)o2)CC1 ZINC000742642594 579789889 /nfs/dbraw/zinc/78/98/89/579789889.db2.gz SQBGBGOSGHSENK-OAHLLOKOSA-N 1 2 331.416 0.975 20 30 ECEDLO C#CCOc1ccc(F)cc1NC(=O)C(=O)NCc1[nH+]ccn1C ZINC000743906584 579803260 /nfs/dbraw/zinc/80/32/60/579803260.db2.gz OAWROORQMGXTFA-UHFFFAOYSA-N 1 2 330.319 0.826 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)CCC)CC1 ZINC000744419209 579809381 /nfs/dbraw/zinc/80/93/81/579809381.db2.gz RONKRKBXQLJNHJ-HNNXBMFYSA-N 1 2 341.477 0.358 20 30 ECEDLO C[S@@](=O)CC[NH+]1CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000746474755 579840406 /nfs/dbraw/zinc/84/04/06/579840406.db2.gz OQLRDHAFAQIDBD-XMMPIXPASA-N 1 2 348.472 0.883 20 30 ECEDLO C[S@@](=O)CCN1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000746474755 579840407 /nfs/dbraw/zinc/84/04/07/579840407.db2.gz OQLRDHAFAQIDBD-XMMPIXPASA-N 1 2 348.472 0.883 20 30 ECEDLO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCN(CCCCO)CC2)cc1 ZINC000746488594 579840757 /nfs/dbraw/zinc/84/07/57/579840757.db2.gz MITYTKAJUFIZTC-KRWDZBQOSA-N 1 2 333.432 0.688 20 30 ECEDLO CO[C@]1(C)CC(=NNC(=S)NCC[NH+]2CCOCC2)C1(C)C ZINC000746559528 579841770 /nfs/dbraw/zinc/84/17/70/579841770.db2.gz XPFYDIJMHYFUIS-OAHLLOKOSA-N 1 2 328.482 0.974 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 ZINC000748052986 579856320 /nfs/dbraw/zinc/85/63/20/579856320.db2.gz GGSJKKFLFUWTJL-UHFFFAOYSA-N 1 2 340.401 0.786 20 30 ECEDLO COc1cc(OS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)ccc1C#N ZINC000867196420 588937064 /nfs/dbraw/zinc/93/70/64/588937064.db2.gz YDNRMOPDUSNWQU-CYBMUJFWSA-N 1 2 326.374 0.606 20 30 ECEDLO COc1cc(OS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC000867196420 588937065 /nfs/dbraw/zinc/93/70/65/588937065.db2.gz YDNRMOPDUSNWQU-CYBMUJFWSA-N 1 2 326.374 0.606 20 30 ECEDLO C=CC[N@@H+](C)CC(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O ZINC000121447583 588932576 /nfs/dbraw/zinc/93/25/76/588932576.db2.gz WFELJUUPQOJHPQ-QGZVFWFLSA-N 1 2 330.388 0.993 20 30 ECEDLO C=CC[N@H+](C)CC(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O ZINC000121447583 588932577 /nfs/dbraw/zinc/93/25/77/588932577.db2.gz WFELJUUPQOJHPQ-QGZVFWFLSA-N 1 2 330.388 0.993 20 30 ECEDLO CC(C)CN(C(=O)CON=C(N)C[NH+]1CCSCC1)C1CC1 ZINC000121511423 588991712 /nfs/dbraw/zinc/99/17/12/588991712.db2.gz VNVJGBAOZOLRLI-UHFFFAOYSA-N 1 2 328.482 0.971 20 30 ECEDLO CNC(=S)N(C)[NH+]=Cc1c(N2CCOCC2)nc2ccccn21 ZINC000841646963 588997136 /nfs/dbraw/zinc/99/71/36/588997136.db2.gz CDZCJCKTJRWRDQ-UHFFFAOYSA-N 1 2 332.433 0.941 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(=O)n(CC)c2)C1 ZINC000891606630 586181437 /nfs/dbraw/zinc/18/14/37/586181437.db2.gz OMPHIWTVSLMJIM-CYBMUJFWSA-N 1 2 330.388 0.021 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(=O)n(CC)c2)C1 ZINC000891606630 586181440 /nfs/dbraw/zinc/18/14/40/586181440.db2.gz OMPHIWTVSLMJIM-CYBMUJFWSA-N 1 2 330.388 0.021 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(N(C)C)nc2)C1 ZINC000891608846 586181548 /nfs/dbraw/zinc/18/15/48/586181548.db2.gz ZQNKGLUGOZDTSS-AWEZNQCLSA-N 1 2 329.404 0.300 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(N(C)C)nc2)C1 ZINC000891608846 586181549 /nfs/dbraw/zinc/18/15/49/586181549.db2.gz ZQNKGLUGOZDTSS-AWEZNQCLSA-N 1 2 329.404 0.300 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nc(Cl)nc3nc[nH]c32)CC1 ZINC000891617418 586182279 /nfs/dbraw/zinc/18/22/79/586182279.db2.gz UXDODYBZGHTLSD-UHFFFAOYSA-N 1 2 335.799 0.431 20 30 ECEDLO C#CCCCOc1ccc[nH+]c1N1CCN2[C@H](CNS2(=O)=O)C1 ZINC000896596685 586261711 /nfs/dbraw/zinc/26/17/11/586261711.db2.gz ITAIQBLRGMMDRI-CYBMUJFWSA-N 1 2 336.417 0.212 20 30 ECEDLO Cn1cc(C[NH+]2CCN(C(=O)NCc3nc(C#N)cs3)CC2)cn1 ZINC000897296552 586295044 /nfs/dbraw/zinc/29/50/44/586295044.db2.gz XCBKBUFRNCGXLB-UHFFFAOYSA-N 1 2 345.432 0.776 20 30 ECEDLO Cc1nc(C#N)cc(N2CC[NH+](C[C@H]3CCCS3(=O)=O)CC2)n1 ZINC000894752274 586409368 /nfs/dbraw/zinc/40/93/68/586409368.db2.gz BVTXCUCUCNDOHK-CQSZACIVSA-N 1 2 335.433 0.356 20 30 ECEDLO O=C1C=COC2(CCN(C(=S)NCC[NH+]3CCOCC3)CC2)C1 ZINC000899639648 586493658 /nfs/dbraw/zinc/49/36/58/586493658.db2.gz SBQVKSHHPMURSC-UHFFFAOYSA-N 1 2 339.461 0.531 20 30 ECEDLO C/C(=C\C(=O)NCCNc1ncccc1C#N)C[NH+]1CCOCC1 ZINC000900368030 586627853 /nfs/dbraw/zinc/62/78/53/586627853.db2.gz YYRXAMOZYJPVKH-SDNWHVSQSA-N 1 2 329.404 0.760 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C)nc2NC)CC1 ZINC000900584817 586647587 /nfs/dbraw/zinc/64/75/87/586647587.db2.gz BNVUJEFNSKZEIX-UHFFFAOYSA-N 1 2 343.431 0.329 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C)nc2NC)CC1 ZINC000900584817 586647589 /nfs/dbraw/zinc/64/75/89/586647589.db2.gz BNVUJEFNSKZEIX-UHFFFAOYSA-N 1 2 343.431 0.329 20 30 ECEDLO NC(=NOCC[C@H]1CCNC1=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000902226934 586725841 /nfs/dbraw/zinc/72/58/41/586725841.db2.gz SPBSMXFMJHSKRZ-MRXNPFEDSA-N 1 2 346.431 0.682 20 30 ECEDLO O=C1C=COC2(CCN(S(=O)(=O)CCn3cc[nH+]c3)CC2)C1 ZINC000907513604 586731783 /nfs/dbraw/zinc/73/17/83/586731783.db2.gz WLOMCFNXVAIYAJ-UHFFFAOYSA-N 1 2 325.390 0.551 20 30 ECEDLO C[S@@](=O)CC[NH+]1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000838894458 586829836 /nfs/dbraw/zinc/82/98/36/586829836.db2.gz GLXHMJKHDOCELV-HSZRJFAPSA-N 1 2 336.417 0.963 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C[C@H](O)C[C@]3(O)CCOC3)CC2)cc1 ZINC000905899807 586920814 /nfs/dbraw/zinc/92/08/14/586920814.db2.gz ZCAORKGXFJTTER-RTBURBONSA-N 1 2 345.443 0.578 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000906798580 586984534 /nfs/dbraw/zinc/98/45/34/586984534.db2.gz XZBUGRNGXBEHGB-UHFFFAOYSA-N 1 2 329.385 0.859 20 30 ECEDLO C#Cc1ccc(S(=O)(=O)N2CCN(Cc3[nH+]ccn3C)CC2)cc1 ZINC000906919247 586998474 /nfs/dbraw/zinc/99/84/74/586998474.db2.gz FGAFDRJCDFMYTF-UHFFFAOYSA-N 1 2 344.440 0.908 20 30 ECEDLO C[C@H](CNS(=O)(=O)c1ccc(C#N)cn1)C[NH+]1CCN(C)CC1 ZINC000906986119 587003431 /nfs/dbraw/zinc/00/34/31/587003431.db2.gz CTRMUJPYROCTOO-CYBMUJFWSA-N 1 2 337.449 0.115 20 30 ECEDLO C[C@H](C#N)OCC[NH+]1CCN(c2ccccc2S(N)(=O)=O)CC1 ZINC000801945730 587006316 /nfs/dbraw/zinc/00/63/16/587006316.db2.gz CMMBZDQHMLDSGU-CYBMUJFWSA-N 1 2 338.433 0.385 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)[C@H]1CCCO1 ZINC000809307683 587173948 /nfs/dbraw/zinc/17/39/48/587173948.db2.gz CDTZPGPLGUFODH-MELADBBJSA-N 1 2 330.388 0.760 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)CCOCC(F)(F)F)CC1 ZINC000809810111 587183285 /nfs/dbraw/zinc/18/32/85/587183285.db2.gz KXMQCFJIOLZFBH-UHFFFAOYSA-N 1 2 328.356 0.536 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C)CC1 ZINC000818091272 587401892 /nfs/dbraw/zinc/40/18/92/587401892.db2.gz JFTQCZVNLORUTC-KRWDZBQOSA-N 1 2 333.436 0.611 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCn3nccc32)CC1 ZINC000818753628 587449976 /nfs/dbraw/zinc/44/99/76/587449976.db2.gz WUPNLJCFFABZGX-HNNXBMFYSA-N 1 2 343.431 0.044 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCn3nccc32)CC1 ZINC000818753628 587449977 /nfs/dbraw/zinc/44/99/77/587449977.db2.gz WUPNLJCFFABZGX-HNNXBMFYSA-N 1 2 343.431 0.044 20 30 ECEDLO COCC[N@H+](CCC#N)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821689403 587622785 /nfs/dbraw/zinc/62/27/85/587622785.db2.gz YZJPCPVOJPJIIX-AWEZNQCLSA-N 1 2 346.391 0.468 20 30 ECEDLO COCC[N@@H+](CCC#N)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821689403 587622787 /nfs/dbraw/zinc/62/27/87/587622787.db2.gz YZJPCPVOJPJIIX-AWEZNQCLSA-N 1 2 346.391 0.468 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[NH2+]C2(C(=O)[O-])CCC(CC)CC2)CC1 ZINC000825620235 587953512 /nfs/dbraw/zinc/95/35/12/587953512.db2.gz YSUGYGTWIHSNIL-UHFFFAOYSA-N 1 2 335.448 0.777 20 30 ECEDLO C#CCN(CC(=O)NCC[N@H+]1CCOC[C@H]1C)C(=O)OC(C)(C)C ZINC000826135974 587996389 /nfs/dbraw/zinc/99/63/89/587996389.db2.gz XOYAPOIHHXCXTI-CQSZACIVSA-N 1 2 339.436 0.694 20 30 ECEDLO C#CCN(CC(=O)NCC[N@@H+]1CCOC[C@H]1C)C(=O)OC(C)(C)C ZINC000826135974 587996390 /nfs/dbraw/zinc/99/63/90/587996390.db2.gz XOYAPOIHHXCXTI-CQSZACIVSA-N 1 2 339.436 0.694 20 30 ECEDLO C#CCCN(CCOC)C(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000826947050 588091144 /nfs/dbraw/zinc/09/11/44/588091144.db2.gz MXXJGCGTFKDYNI-UHFFFAOYSA-N 1 2 332.404 0.262 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3cn(C)nn3)n2CC(=C)C)CC1 ZINC000829154131 588316888 /nfs/dbraw/zinc/31/68/88/588316888.db2.gz DLACNPVDZZIEKB-UHFFFAOYSA-N 1 2 326.408 0.405 20 30 ECEDLO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000829982982 588351981 /nfs/dbraw/zinc/35/19/81/588351981.db2.gz JUWQITFUXOQTBK-MGPLVRAMSA-N 1 2 329.360 0.946 20 30 ECEDLO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000829982982 588351983 /nfs/dbraw/zinc/35/19/83/588351983.db2.gz JUWQITFUXOQTBK-MGPLVRAMSA-N 1 2 329.360 0.946 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc([C@H]3COCCO3)n2CC2CC2)CC1 ZINC000831045163 588401492 /nfs/dbraw/zinc/40/14/92/588401492.db2.gz PTTKVDHVEFNLCU-OAHLLOKOSA-N 1 2 331.420 0.531 20 30 ECEDLO CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCC[NH+]1CCOCC1 ZINC000844280071 589106074 /nfs/dbraw/zinc/10/60/74/589106074.db2.gz RQRWSEHFGNRLHT-MRXNPFEDSA-N 1 2 332.404 0.565 20 30 ECEDLO C[N@@H+](CC(=O)NCC(=O)N1CCCC1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371419 589109538 /nfs/dbraw/zinc/10/95/38/589109538.db2.gz YNVSOYNNVAZHAF-MRXNPFEDSA-N 1 2 344.415 0.262 20 30 ECEDLO C[N@H+](CC(=O)NCC(=O)N1CCCC1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371419 589109539 /nfs/dbraw/zinc/10/95/39/589109539.db2.gz YNVSOYNNVAZHAF-MRXNPFEDSA-N 1 2 344.415 0.262 20 30 ECEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000846989086 589232220 /nfs/dbraw/zinc/23/22/20/589232220.db2.gz XRTOBHSMPNJDFS-BGMSHATGSA-N 1 2 335.408 0.800 20 30 ECEDLO Cn1cc[nH+]c1[C@H](CC(=O)N[C@H]1CCCN(O)C1=O)C(F)(F)F ZINC000848131615 589279073 /nfs/dbraw/zinc/27/90/73/589279073.db2.gz AUKQSZUFVUJYJT-IUCAKERBSA-N 1 2 334.298 0.953 20 30 ECEDLO C#CCCN(CCOC)C(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000850711527 589381383 /nfs/dbraw/zinc/38/13/83/589381383.db2.gz DPZYTWDSYRUCJF-HNNXBMFYSA-N 1 2 346.431 0.624 20 30 ECEDLO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CCC[C@@H](CC#N)C2)c1=O ZINC000853525574 589546510 /nfs/dbraw/zinc/54/65/10/589546510.db2.gz GCFUZLOMLUZTMY-AWEZNQCLSA-N 1 2 345.403 0.127 20 30 ECEDLO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CCC[C@@H](CC#N)C2)c1=O ZINC000853525574 589546511 /nfs/dbraw/zinc/54/65/11/589546511.db2.gz GCFUZLOMLUZTMY-AWEZNQCLSA-N 1 2 345.403 0.127 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CCCNC(=O)c2ccc(OC)cc2)CC1 ZINC000112920066 589616898 /nfs/dbraw/zinc/61/68/98/589616898.db2.gz UQPKXYVJEWIRHP-UHFFFAOYSA-N 1 2 343.427 0.983 20 30 ECEDLO CCOC(=O)CON=C(C(=O)N(C)Cc1c[nH+]c[nH]1)c1ccn[nH]1 ZINC000855136153 589620816 /nfs/dbraw/zinc/62/08/16/589620816.db2.gz MMNREGGMVLFFNO-UHFFFAOYSA-N 1 2 334.336 0.075 20 30 ECEDLO CCOC(=O)CON=C(C(=O)N(C)Cc1c[nH]c[nH+]1)c1ccn[nH]1 ZINC000855136153 589620817 /nfs/dbraw/zinc/62/08/17/589620817.db2.gz MMNREGGMVLFFNO-UHFFFAOYSA-N 1 2 334.336 0.075 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000856615625 589668776 /nfs/dbraw/zinc/66/87/76/589668776.db2.gz VQOLXFPRDDSARF-JJXSEGSLSA-N 1 2 329.400 0.955 20 30 ECEDLO CN(OCC(F)(F)F)C(=O)C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000857248336 589690857 /nfs/dbraw/zinc/69/08/57/589690857.db2.gz GPBFTBJHZUBAOS-GFCCVEGCSA-N 1 2 344.293 0.627 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc(NS(C)(=O)=O)nc1 ZINC000860529391 589780043 /nfs/dbraw/zinc/78/00/43/589780043.db2.gz GHNCKUANUUAYDN-CYBMUJFWSA-N 1 2 337.401 0.708 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccc(NS(C)(=O)=O)nc1 ZINC000860529391 589780050 /nfs/dbraw/zinc/78/00/50/589780050.db2.gz GHNCKUANUUAYDN-CYBMUJFWSA-N 1 2 337.401 0.708 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000858925017 589783326 /nfs/dbraw/zinc/78/33/26/589783326.db2.gz XEDRFWWXRNHZOX-IRXDYDNUSA-N 1 2 346.431 0.620 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000858925017 589783328 /nfs/dbraw/zinc/78/33/28/589783328.db2.gz XEDRFWWXRNHZOX-IRXDYDNUSA-N 1 2 346.431 0.620 20 30 ECEDLO C#CC[C@H](COC)NC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000859028444 589794158 /nfs/dbraw/zinc/79/41/58/589794158.db2.gz PVVJXUMEUHMAAI-UKRRQHHQSA-N 1 2 336.436 0.019 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(C)c(F)c2)CC1 ZINC000859215283 589808184 /nfs/dbraw/zinc/80/81/84/589808184.db2.gz AZMANXUTWABFAL-UHFFFAOYSA-N 1 2 325.409 0.719 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)CC1 ZINC000859226372 589809381 /nfs/dbraw/zinc/80/93/81/589809381.db2.gz XSPWWTSTBMFTJG-AIANPOQGSA-N 1 2 335.448 0.330 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)CC1 ZINC000859226372 589809382 /nfs/dbraw/zinc/80/93/82/589809382.db2.gz XSPWWTSTBMFTJG-AIANPOQGSA-N 1 2 335.448 0.330 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ocnc2C(F)F)CC1 ZINC000859226055 589809541 /nfs/dbraw/zinc/80/95/41/589809541.db2.gz WMKUNGLFXRKVHU-UHFFFAOYSA-N 1 2 340.330 0.510 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ocnc2C(F)F)CC1 ZINC000859226055 589809545 /nfs/dbraw/zinc/80/95/45/589809545.db2.gz WMKUNGLFXRKVHU-UHFFFAOYSA-N 1 2 340.330 0.510 20 30 ECEDLO CC(C)(C(=O)N[C@H](CO)C[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000861517067 589858543 /nfs/dbraw/zinc/85/85/43/589858543.db2.gz DANMMSDNOWXZGV-INIZCTEOSA-N 1 2 331.416 0.645 20 30 ECEDLO C=CCOC[C@H](NC(=O)Cc1cn2cc(F)ccc2[nH+]1)C(=O)OC ZINC000867968397 589865991 /nfs/dbraw/zinc/86/59/91/589865991.db2.gz BSDGCTWHCDUYMK-ZDUSSCGKSA-N 1 2 335.335 0.876 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@@]1(C#N)CCCOC1 ZINC000869400167 589963643 /nfs/dbraw/zinc/96/36/43/589963643.db2.gz AKBYDPLYXBQHKD-WBVHZDCISA-N 1 2 337.420 0.039 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@@]1(C#N)CCCOC1 ZINC000869400167 589963644 /nfs/dbraw/zinc/96/36/44/589963644.db2.gz AKBYDPLYXBQHKD-WBVHZDCISA-N 1 2 337.420 0.039 20 30 ECEDLO C#CCO[C@@H](C)C(=O)O[C@@H]1C[C@@H]2C(=O)NCc3ccc[nH+]c3N2C1 ZINC000870520247 590021017 /nfs/dbraw/zinc/02/10/17/590021017.db2.gz LDKZAUNFPZJAGH-IACUBPJLSA-N 1 2 329.356 0.240 20 30 ECEDLO Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000864049708 590052756 /nfs/dbraw/zinc/05/27/56/590052756.db2.gz XPWWTYGGPQIVQI-UHFFFAOYSA-N 1 2 346.435 0.123 20 30 ECEDLO N#Cc1ccc(N2CCN(C(=O)NCC[NH+]3CCOCC3)CC2)cn1 ZINC000871624332 590083285 /nfs/dbraw/zinc/08/32/85/590083285.db2.gz WOOCQHSNTOMUAA-UHFFFAOYSA-N 1 2 344.419 0.117 20 30 ECEDLO COCC(COC)[NH+]1CCN(C(=O)Nc2cc(CC#N)ccn2)CC1 ZINC000871734577 590085784 /nfs/dbraw/zinc/08/57/84/590085784.db2.gz UCNFFINITWOYEU-UHFFFAOYSA-N 1 2 347.419 0.959 20 30 ECEDLO N#C[C@@]1(C(=O)NCc2ccc[nH+]c2N2CCOCC2)CCCOC1 ZINC000864772733 590102711 /nfs/dbraw/zinc/10/27/11/590102711.db2.gz LHTFUXSNFYBWHE-KRWDZBQOSA-N 1 2 330.388 0.855 20 30 ECEDLO Cc1cccc(C#N)c1S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000872494779 590121148 /nfs/dbraw/zinc/12/11/48/590121148.db2.gz JYXMGTDZWYAWRM-OKILXGFUSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cccc(C#N)c1S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000872494779 590121149 /nfs/dbraw/zinc/12/11/49/590121149.db2.gz JYXMGTDZWYAWRM-OKILXGFUSA-N 1 2 337.445 0.942 20 30 ECEDLO C[N@H+](CCc1cccc(C#N)c1)CN1CC2(CCOCC2)[C@@H](O)C1=O ZINC000872705714 590143296 /nfs/dbraw/zinc/14/32/96/590143296.db2.gz WHRVLCHSVDMTCM-KRWDZBQOSA-N 1 2 343.427 0.990 20 30 ECEDLO C[N@@H+](CCc1cccc(C#N)c1)CN1CC2(CCOCC2)[C@@H](O)C1=O ZINC000872705714 590143299 /nfs/dbraw/zinc/14/32/99/590143299.db2.gz WHRVLCHSVDMTCM-KRWDZBQOSA-N 1 2 343.427 0.990 20 30 ECEDLO C=CCNC(=O)NC(=O)CN1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000879450342 590312764 /nfs/dbraw/zinc/31/27/64/590312764.db2.gz HCBBISCMVVUZOU-UHFFFAOYSA-N 1 2 346.431 0.825 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000875601689 590314038 /nfs/dbraw/zinc/31/40/38/590314038.db2.gz QCPWALPIQZXMFJ-OAHLLOKOSA-N 1 2 344.415 0.275 20 30 ECEDLO CNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000879589299 590326181 /nfs/dbraw/zinc/32/61/81/590326181.db2.gz YHLHXLCZSWAYIA-LLVKDONJSA-N 1 2 333.367 0.663 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000875919885 590346176 /nfs/dbraw/zinc/34/61/76/590346176.db2.gz QRMHFZBYQNXECD-MRXNPFEDSA-N 1 2 333.436 0.676 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)CC1 ZINC000128178702 590366160 /nfs/dbraw/zinc/36/61/60/590366160.db2.gz MUAFIAOREDNUCP-UHFFFAOYSA-N 1 2 326.404 0.818 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)CC1 ZINC000128372887 590386622 /nfs/dbraw/zinc/38/66/22/590386622.db2.gz LNZCZWBDCIZUGL-OAHLLOKOSA-N 1 2 341.411 0.826 20 30 ECEDLO C=C(Br)Cn1cc(C[NH2+][C@H]2CCS(=O)(=O)C2)nn1 ZINC000881427482 590454781 /nfs/dbraw/zinc/45/47/81/590454781.db2.gz MOKHQUDOMANDMC-VIFPVBQESA-N 1 2 335.227 0.463 20 30 ECEDLO Cc1nc(C#N)cc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1 ZINC000881786478 590473593 /nfs/dbraw/zinc/47/35/93/590473593.db2.gz JSUMDGYDWGALLQ-UHFFFAOYSA-N 1 2 335.375 0.660 20 30 ECEDLO C#CC[N@H+](C[C@H]1CCC2(CCOCC2)O1)[C@H]1CCS(=O)(=O)C1 ZINC000878236849 590508536 /nfs/dbraw/zinc/50/85/36/590508536.db2.gz CADJXHOWNGTRMQ-LSDHHAIUSA-N 1 2 327.446 0.837 20 30 ECEDLO C#CC[N@@H+](C[C@H]1CCC2(CCOCC2)O1)[C@H]1CCS(=O)(=O)C1 ZINC000878236849 590508537 /nfs/dbraw/zinc/50/85/37/590508537.db2.gz CADJXHOWNGTRMQ-LSDHHAIUSA-N 1 2 327.446 0.837 20 30 ECEDLO C=C(C)C[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)C(=O)OCC ZINC000882644320 590568556 /nfs/dbraw/zinc/56/85/56/590568556.db2.gz APTQUNSLAWZIRY-AWEZNQCLSA-N 1 2 348.465 0.526 20 30 ECEDLO C[NH+](C)[C@@H](C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccccc1 ZINC000885317389 590715294 /nfs/dbraw/zinc/71/52/94/590715294.db2.gz UHRBIRLOSDIKPY-INMHGKMJSA-N 1 2 347.440 0.686 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1 ZINC000885513752 590730385 /nfs/dbraw/zinc/73/03/85/590730385.db2.gz FBNYWHHVWUVGMJ-GFCCVEGCSA-N 1 2 349.412 0.507 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1 ZINC000885513752 590730387 /nfs/dbraw/zinc/73/03/87/590730387.db2.gz FBNYWHHVWUVGMJ-GFCCVEGCSA-N 1 2 349.412 0.507 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(C(=O)N(CC)CC)CC1 ZINC000884109726 590743278 /nfs/dbraw/zinc/74/32/78/590743278.db2.gz PDBDTTDLNUPLOM-AWEZNQCLSA-N 1 2 339.436 0.540 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)NCC2(CS(C)(=O)=O)CC2)C1 ZINC000884187338 590766913 /nfs/dbraw/zinc/76/69/13/590766913.db2.gz BHMHUILSJZPPJY-CYBMUJFWSA-N 1 2 327.450 0.208 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC2(CS(C)(=O)=O)CC2)C1 ZINC000884187338 590766915 /nfs/dbraw/zinc/76/69/15/590766915.db2.gz BHMHUILSJZPPJY-CYBMUJFWSA-N 1 2 327.450 0.208 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000884228091 590782885 /nfs/dbraw/zinc/78/28/85/590782885.db2.gz IBGMSUSZSVESCT-KGLIPLIRSA-N 1 2 347.415 0.837 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1ccc(Cl)cn1 ZINC000884381086 590817423 /nfs/dbraw/zinc/81/74/23/590817423.db2.gz UTQAQZOWGKGDLJ-UHFFFAOYSA-N 1 2 327.841 0.865 20 30 ECEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2nc(C)cc(=O)[nH]2)CC1 ZINC000886655513 590868605 /nfs/dbraw/zinc/86/86/05/590868605.db2.gz SXOHJWLTWXLWOZ-UHFFFAOYSA-N 1 2 332.408 0.375 20 30 ECEDLO COC(=O)[C@@H]1CSCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000887079347 590939163 /nfs/dbraw/zinc/93/91/63/590939163.db2.gz PDQBAKGXECBCNQ-STQMWFEESA-N 1 2 328.434 0.648 20 30 ECEDLO COC(=O)[C@@H]1CSCC[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000887079347 590939167 /nfs/dbraw/zinc/93/91/67/590939167.db2.gz PDQBAKGXECBCNQ-STQMWFEESA-N 1 2 328.434 0.648 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000948102196 611428420 /nfs/dbraw/zinc/42/84/20/611428420.db2.gz FPIDUSFDXRNQTG-OLZOCXBDSA-N 1 2 329.404 0.712 20 30 ECEDLO C[NH+](C)Cc1csc(CNC(=O)N2CCN(CCC#N)CC2)n1 ZINC000924789077 611431101 /nfs/dbraw/zinc/43/11/01/611431101.db2.gz RBDBEEARHQHFHS-UHFFFAOYSA-N 1 2 336.465 0.946 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)c(C)cn2)CC1 ZINC000932038112 611594791 /nfs/dbraw/zinc/59/47/91/611594791.db2.gz HNNBZAYFXUEPNM-UHFFFAOYSA-N 1 2 328.416 0.596 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)c(C)cn2)CC1 ZINC000932038112 611594794 /nfs/dbraw/zinc/59/47/94/611594794.db2.gz HNNBZAYFXUEPNM-UHFFFAOYSA-N 1 2 328.416 0.596 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@]23CCO[C@H]2CCCC3)CC1 ZINC000932039798 611594931 /nfs/dbraw/zinc/59/49/31/611594931.db2.gz XNQBGTXOUACFIH-LPHOPBHVSA-N 1 2 347.459 0.619 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@]23CCO[C@H]2CCCC3)CC1 ZINC000932039798 611594932 /nfs/dbraw/zinc/59/49/32/611594932.db2.gz XNQBGTXOUACFIH-LPHOPBHVSA-N 1 2 347.459 0.619 20 30 ECEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000937351427 608612377 /nfs/dbraw/zinc/61/23/77/608612377.db2.gz BXOWRRKSTOXINM-BZUAXINKSA-N 1 2 340.427 0.996 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nn3)[C@@H](C)C2)c1 ZINC000947711753 611663194 /nfs/dbraw/zinc/66/31/94/611663194.db2.gz YELBUNANDOIKKJ-BBRMVZONSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3cn(C)nn3)[C@@H](C)C2)c1 ZINC000947711753 611663197 /nfs/dbraw/zinc/66/31/97/611663197.db2.gz YELBUNANDOIKKJ-BBRMVZONSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)Cc2c[nH+]c[nH]2)cn1 ZINC000937539930 608881967 /nfs/dbraw/zinc/88/19/67/608881967.db2.gz HLYQAMZWWHWOAV-HOTGVXAUSA-N 1 2 335.367 0.454 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1CCS(C)(=O)=O ZINC000947204926 608918396 /nfs/dbraw/zinc/91/83/96/608918396.db2.gz JIRXCMYFTSVJKX-WCQYABFASA-N 1 2 338.433 0.514 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1CCS(C)(=O)=O ZINC000947204926 608918398 /nfs/dbraw/zinc/91/83/98/608918398.db2.gz JIRXCMYFTSVJKX-WCQYABFASA-N 1 2 338.433 0.514 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000947205330 608919434 /nfs/dbraw/zinc/91/94/34/608919434.db2.gz PBUYUPKVKFKTED-PWSUYJOCSA-N 1 2 343.391 0.091 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000947205330 608919436 /nfs/dbraw/zinc/91/94/36/608919436.db2.gz PBUYUPKVKFKTED-PWSUYJOCSA-N 1 2 343.391 0.091 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1ncnn1C ZINC000947217796 608969222 /nfs/dbraw/zinc/96/92/22/608969222.db2.gz RGJFMSBNMQSNKK-NEPJUHHUSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1ncnn1C ZINC000947217796 608969224 /nfs/dbraw/zinc/96/92/24/608969224.db2.gz RGJFMSBNMQSNKK-NEPJUHHUSA-N 1 2 327.392 0.798 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CCN(C(=O)C#CC3CC3)C1)C2 ZINC000938173422 609487583 /nfs/dbraw/zinc/48/75/83/609487583.db2.gz OGEMFGBSWIDJNA-CABCVRRESA-N 1 2 340.427 0.954 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CCN(C(=O)C#CC3CC3)C1)CC2 ZINC000938173422 609487585 /nfs/dbraw/zinc/48/75/85/609487585.db2.gz OGEMFGBSWIDJNA-CABCVRRESA-N 1 2 340.427 0.954 20 30 ECEDLO C/C(=C\C(=O)NCc1ccc(C(=O)NO)cc1)C[NH+]1CCOCC1 ZINC000907812097 609623686 /nfs/dbraw/zinc/62/36/86/609623686.db2.gz IYZSHGDUKKWZMP-JLHYYAGUSA-N 1 2 333.388 0.700 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3ncnc4[nH]cnc43)n2CC=C)CC1 ZINC000908712247 609659119 /nfs/dbraw/zinc/65/91/19/609659119.db2.gz PTJUNDXJOCWKEG-UHFFFAOYSA-N 1 2 349.402 0.504 20 30 ECEDLO Cn1cc([C@H]2CN(C(=O)CNc3ccc(C#N)cn3)CC[NH2+]2)cn1 ZINC000913463932 609676683 /nfs/dbraw/zinc/67/66/83/609676683.db2.gz LGELZAXMKZBZMI-CQSZACIVSA-N 1 2 325.376 0.272 20 30 ECEDLO N#Cc1cncc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c1 ZINC000921321738 609703189 /nfs/dbraw/zinc/70/31/89/609703189.db2.gz JGOVCSRCYWNYTD-KGLIPLIRSA-N 1 2 338.458 0.811 20 30 ECEDLO N#Cc1cncc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)c1 ZINC000921321738 609703190 /nfs/dbraw/zinc/70/31/90/609703190.db2.gz JGOVCSRCYWNYTD-KGLIPLIRSA-N 1 2 338.458 0.811 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000938713043 609958268 /nfs/dbraw/zinc/95/82/68/609958268.db2.gz PCYLPQFAMKNABZ-CQSZACIVSA-N 1 2 340.387 0.915 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000938713043 609958270 /nfs/dbraw/zinc/95/82/70/609958270.db2.gz PCYLPQFAMKNABZ-CQSZACIVSA-N 1 2 340.387 0.915 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000938861420 610000586 /nfs/dbraw/zinc/00/05/86/610000586.db2.gz LQNFECBQWQRTRP-GUTXKFCHSA-N 1 2 332.404 0.569 20 30 ECEDLO C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000918906297 610023536 /nfs/dbraw/zinc/02/35/36/610023536.db2.gz MJWSMPSONSOBKU-QGZVFWFLSA-N 1 2 347.507 0.552 20 30 ECEDLO C=CCn1cc(C(=O)N(C)[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC000939306683 610157430 /nfs/dbraw/zinc/15/74/30/610157430.db2.gz KFPCKSRHDXGHEW-LBPRGKRZSA-N 1 2 343.391 0.103 20 30 ECEDLO C=CCn1cc(C(=O)N(C)[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC000939911863 610166265 /nfs/dbraw/zinc/16/62/65/610166265.db2.gz ZQUWGHTUGRISER-ZDUSSCGKSA-N 1 2 343.391 0.103 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cn4c(n3)CCC4)CC2)C1 ZINC000941412488 610302656 /nfs/dbraw/zinc/30/26/56/610302656.db2.gz HOFMJRIZLUXGFO-UHFFFAOYSA-N 1 2 327.432 0.295 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)c3ccnn3C)CC2)C1 ZINC000941413156 610302998 /nfs/dbraw/zinc/30/29/98/610302998.db2.gz RZMGWTYSCRGMDO-OAHLLOKOSA-N 1 2 329.448 0.375 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(C)nnc3C)CC2)C1 ZINC000941422203 610307568 /nfs/dbraw/zinc/30/75/68/610307568.db2.gz HYONPHJCUVBWIL-UHFFFAOYSA-N 1 2 327.432 0.559 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc4oc(=O)[nH]c4c3)CC2)C1 ZINC000941444068 610309069 /nfs/dbraw/zinc/30/90/69/610309069.db2.gz CJNROLUTFSWQJM-UHFFFAOYSA-N 1 2 340.383 0.609 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000940691424 610331961 /nfs/dbraw/zinc/33/19/61/610331961.db2.gz SJFWYIBMBDKRNZ-VYDXJSESSA-N 1 2 346.431 0.972 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4nccn4C3)CC2)C1 ZINC000941464449 610333670 /nfs/dbraw/zinc/33/36/70/610333670.db2.gz KCWBPJSKZJVEDW-MRXNPFEDSA-N 1 2 341.459 0.297 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CC[C@H](C4CC4)O3)CC2)C1 ZINC000941499322 610344204 /nfs/dbraw/zinc/34/42/04/610344204.db2.gz SHDIYDJSKCSNPW-ZWKOTPCHSA-N 1 2 331.460 0.796 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCc3ccc(=O)[nH]c3)CC2)C1 ZINC000941532207 610363851 /nfs/dbraw/zinc/36/38/51/610363851.db2.gz SETKSTGMXZGEGH-UHFFFAOYSA-N 1 2 342.443 0.572 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cn3cc(Cl)cn3)CC2)C1 ZINC000941587311 610397268 /nfs/dbraw/zinc/39/72/68/610397268.db2.gz PNTVVASPGUGDNQ-UHFFFAOYSA-N 1 2 335.839 0.388 20 30 ECEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)CC2CS(=O)(=O)C2)C(C)(C)C1 ZINC000940847333 610397749 /nfs/dbraw/zinc/39/77/49/610397749.db2.gz VMIWIQBEMYJWNT-AWEZNQCLSA-N 1 2 326.462 0.661 20 30 ECEDLO CC#CC[N@H+]1CC[C@H](NC(=O)CC2CS(=O)(=O)C2)C(C)(C)C1 ZINC000940847333 610397750 /nfs/dbraw/zinc/39/77/50/610397750.db2.gz VMIWIQBEMYJWNT-AWEZNQCLSA-N 1 2 326.462 0.661 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cccn4ccnc34)CC2)C1 ZINC000941601497 610402044 /nfs/dbraw/zinc/40/20/44/610402044.db2.gz QUMMFURHPRVDIP-UHFFFAOYSA-N 1 2 337.427 0.800 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc4[nH]c(C)nc4c3)CC2)C1 ZINC000941613251 610409002 /nfs/dbraw/zinc/40/90/02/610409002.db2.gz LAONYHLJCJZMOS-UHFFFAOYSA-N 1 2 337.427 0.947 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3ccc(OC)cc3F)CC2)C1 ZINC000941627589 610415944 /nfs/dbraw/zinc/41/59/44/610415944.db2.gz IHPJXWHGNJAAEC-UHFFFAOYSA-N 1 2 345.418 0.838 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)c1 ZINC000942369429 610418437 /nfs/dbraw/zinc/41/84/37/610418437.db2.gz QUWHELLYXHFGIX-OAHLLOKOSA-N 1 2 337.383 0.370 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)C1 ZINC000941657578 610431469 /nfs/dbraw/zinc/43/14/69/610431469.db2.gz BRIUIUFNPBWFEU-MRXNPFEDSA-N 1 2 327.428 0.916 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnc4n[nH]c(C)c4c3)CC2)C1 ZINC000941666402 610457802 /nfs/dbraw/zinc/45/78/02/610457802.db2.gz YASFLVLHNGRPLQ-UHFFFAOYSA-N 1 2 338.415 0.342 20 30 ECEDLO C=CCn1cccc1C(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000942516053 610495701 /nfs/dbraw/zinc/49/57/01/610495701.db2.gz VEAFLXQTPMARAK-CYBMUJFWSA-N 1 2 327.388 0.971 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000941088352 610530421 /nfs/dbraw/zinc/53/04/21/610530421.db2.gz AIUMACMJODZSDP-CYBMUJFWSA-N 1 2 327.388 0.971 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000941088782 610530908 /nfs/dbraw/zinc/53/09/08/610530908.db2.gz LYNZOXVHSZBZBP-CQSZACIVSA-N 1 2 327.388 0.902 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC000941243133 610615196 /nfs/dbraw/zinc/61/51/96/610615196.db2.gz WEFOBLWCGKFBIL-GDBMZVCRSA-N 1 2 348.447 0.318 20 30 ECEDLO CO[C@H](C)C(=O)N1CCN(C2C[NH+](Cc3cccc(C#N)c3)C2)CC1 ZINC000941332125 610668512 /nfs/dbraw/zinc/66/85/12/610668512.db2.gz BWNYBLGOSAEDFJ-OAHLLOKOSA-N 1 2 342.443 0.922 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)c2ccn[nH]2)C1 ZINC000943338787 610808395 /nfs/dbraw/zinc/80/83/95/610808395.db2.gz ZASJSSRMDICCBD-ZBFHGGJFSA-N 1 2 343.431 0.618 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)c2ccn[nH]2)C1 ZINC000943338787 610808398 /nfs/dbraw/zinc/80/83/98/610808398.db2.gz ZASJSSRMDICCBD-ZBFHGGJFSA-N 1 2 343.431 0.618 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)[nH]1 ZINC000943477563 610866432 /nfs/dbraw/zinc/86/64/32/610866432.db2.gz LWKZUBGSVUBMGN-ZDUSSCGKSA-N 1 2 340.387 0.963 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(C)no3)C[C@@H]2C)nn1 ZINC000943482617 610869290 /nfs/dbraw/zinc/86/92/90/610869290.db2.gz PRIVUGNYVQOPDC-WCQYABFASA-N 1 2 345.407 0.796 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3nc(C)no3)C[C@@H]2C)nn1 ZINC000943482617 610869291 /nfs/dbraw/zinc/86/92/91/610869291.db2.gz PRIVUGNYVQOPDC-WCQYABFASA-N 1 2 345.407 0.796 20 30 ECEDLO C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945249806 610982141 /nfs/dbraw/zinc/98/21/41/610982141.db2.gz BTPHIOOJJPBDRY-GXTWGEPZSA-N 1 2 340.387 0.750 20 30 ECEDLO C#CC[C@H]1NC(=O)N(C[C@@H]2CN(C)CC[N@@H+]2Cc2ccccc2)C1=O ZINC000925371825 611208845 /nfs/dbraw/zinc/20/88/45/611208845.db2.gz QUTBIZKQZPDGJV-DLBZAZTESA-N 1 2 340.427 0.746 20 30 ECEDLO C#CC[C@H]1NC(=O)N(C[C@@H]2CN(C)CC[N@H+]2Cc2ccccc2)C1=O ZINC000925371825 611208847 /nfs/dbraw/zinc/20/88/47/611208847.db2.gz QUTBIZKQZPDGJV-DLBZAZTESA-N 1 2 340.427 0.746 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)NC)o2)C1 ZINC000923583136 611269587 /nfs/dbraw/zinc/26/95/87/611269587.db2.gz RWHMIHXVQOYNQO-NSHDSACASA-N 1 2 325.390 0.015 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)NC)o2)C1 ZINC000923583136 611269589 /nfs/dbraw/zinc/26/95/89/611269589.db2.gz RWHMIHXVQOYNQO-NSHDSACASA-N 1 2 325.390 0.015 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCC(NC(=O)Cn3cc[nH+]c3)CC2)[nH]1 ZINC000946494853 611284291 /nfs/dbraw/zinc/28/42/91/611284291.db2.gz QQOVOIFSAXGCHN-UHFFFAOYSA-N 1 2 326.360 0.504 20 30 ECEDLO CCn1c(=O)c2ccc(C(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)cc2[nH]c1=S ZINC000834512482 611289736 /nfs/dbraw/zinc/28/97/36/611289736.db2.gz XPWDRVHSNBHEGI-ZWNOBZJWSA-N 1 2 343.412 0.546 20 30 ECEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000834543078 611291404 /nfs/dbraw/zinc/29/14/04/611291404.db2.gz MYRUPKVLPSXEEA-IAGOWNOFSA-N 1 2 349.475 0.721 20 30 ECEDLO C#CC[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000834543079 611291408 /nfs/dbraw/zinc/29/14/08/611291408.db2.gz MYRUPKVLPSXEEA-IRXDYDNUSA-N 1 2 349.475 0.721 20 30 ECEDLO CCn1cc(C[NH+]2CCC3(CC2)CN(C(=O)[C@@H](C)C#N)CCO3)nn1 ZINC000949053706 611830597 /nfs/dbraw/zinc/83/05/97/611830597.db2.gz GRHBAKCPDRVKSM-AWEZNQCLSA-N 1 2 346.435 0.651 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cc(OC)ncn3)CC2)C1 ZINC000949365868 611953775 /nfs/dbraw/zinc/95/37/75/611953775.db2.gz JZZNUGFXRSTFHT-UHFFFAOYSA-N 1 2 330.388 0.425 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cc(OC)ncn3)CC2)C1 ZINC000949365868 611953778 /nfs/dbraw/zinc/95/37/78/611953778.db2.gz JZZNUGFXRSTFHT-UHFFFAOYSA-N 1 2 330.388 0.425 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000949448724 611984549 /nfs/dbraw/zinc/98/45/49/611984549.db2.gz GUVQSGFJCUYZGL-RISCZKNCSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000949448724 611984550 /nfs/dbraw/zinc/98/45/50/611984550.db2.gz GUVQSGFJCUYZGL-RISCZKNCSA-N 1 2 340.387 0.819 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)CC2)C1 ZINC000949475025 611993567 /nfs/dbraw/zinc/99/35/67/611993567.db2.gz UQOZRQLVZGUUJV-HZPDHXFCSA-N 1 2 342.443 0.850 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)CC2)C1 ZINC000949475025 611993570 /nfs/dbraw/zinc/99/35/70/611993570.db2.gz UQOZRQLVZGUUJV-HZPDHXFCSA-N 1 2 342.443 0.850 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000950477965 612034521 /nfs/dbraw/zinc/03/45/21/612034521.db2.gz QECDNBBYACWDGA-CYBMUJFWSA-N 1 2 340.387 0.583 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)[nH]1 ZINC000950482083 612035276 /nfs/dbraw/zinc/03/52/76/612035276.db2.gz JLMVXDYDNPSZKR-LBPRGKRZSA-N 1 2 326.360 0.573 20 30 ECEDLO O=C(C#CC1CC1)N1[C@@H]2CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2 ZINC000952741496 612087112 /nfs/dbraw/zinc/08/71/12/612087112.db2.gz QHLUVJJNOZCKGU-IYBDPMFKSA-N 1 2 326.400 0.888 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000952784548 612100204 /nfs/dbraw/zinc/10/02/04/612100204.db2.gz MWOBXOOOGHRQDI-XQLPTFJDSA-N 1 2 334.420 0.069 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000952784548 612100206 /nfs/dbraw/zinc/10/02/06/612100206.db2.gz MWOBXOOOGHRQDI-XQLPTFJDSA-N 1 2 334.420 0.069 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)cn1 ZINC000951252343 612105730 /nfs/dbraw/zinc/10/57/30/612105730.db2.gz CSZWVDPILIPKCU-MRXNPFEDSA-N 1 2 337.383 0.680 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000952958700 612138600 /nfs/dbraw/zinc/13/86/00/612138600.db2.gz VXKOAFBICQFXCU-CXAGYDPISA-N 1 2 329.404 0.953 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC000951957492 612152485 /nfs/dbraw/zinc/15/24/85/612152485.db2.gz BLLQFCWPQXKJTR-OAHLLOKOSA-N 1 2 337.383 0.750 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@]2(CCN(C(=O)[C@@H](C)C#N)C2)C1 ZINC000953199316 612201173 /nfs/dbraw/zinc/20/11/73/612201173.db2.gz LRDITJHIGJGSFS-YVEFUNNKSA-N 1 2 329.404 0.871 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@]2(CCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC000953201859 612201883 /nfs/dbraw/zinc/20/18/83/612201883.db2.gz PAFQYBVYHUUZFS-RDTXWAMCSA-N 1 2 343.431 0.963 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCN(Cc3c[nH+]cn3C)CC2)nn1 ZINC000951607897 612394643 /nfs/dbraw/zinc/39/46/43/612394643.db2.gz YXWVFCFVKXSHAM-UHFFFAOYSA-N 1 2 329.408 0.546 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nc1 ZINC000954640329 612480850 /nfs/dbraw/zinc/48/08/50/612480850.db2.gz JAOGNUXZENVLSV-HUUCEWRRSA-N 1 2 349.394 0.873 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nc1 ZINC000954640329 612480852 /nfs/dbraw/zinc/48/08/52/612480852.db2.gz JAOGNUXZENVLSV-HUUCEWRRSA-N 1 2 349.394 0.873 20 30 ECEDLO C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000956834156 612605703 /nfs/dbraw/zinc/60/57/03/612605703.db2.gz MJJRIDSZYBVZBI-KRWDZBQOSA-N 1 2 340.387 0.963 20 30 ECEDLO C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000956835368 612606457 /nfs/dbraw/zinc/60/64/57/612606457.db2.gz LBINMICKBLSSMP-MRXNPFEDSA-N 1 2 326.360 0.573 20 30 ECEDLO C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000956842337 612616145 /nfs/dbraw/zinc/61/61/45/612616145.db2.gz DGXOIKVGRUKJFE-KRWDZBQOSA-N 1 2 340.387 0.894 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000954079902 612640286 /nfs/dbraw/zinc/64/02/86/612640286.db2.gz LRAWGPQIEPDVOP-UHFFFAOYSA-N 1 2 340.387 0.535 20 30 ECEDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)cn1)C1CN(C(=O)C#CC2CC2)C1 ZINC000954791571 612685974 /nfs/dbraw/zinc/68/59/74/612685974.db2.gz WOZROQHAYOGAEA-UHFFFAOYSA-N 1 2 349.394 0.964 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000954823879 612716649 /nfs/dbraw/zinc/71/66/49/612716649.db2.gz ZRESUVQVLVDUFO-CZUORRHYSA-N 1 2 348.447 0.316 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000954823879 612716650 /nfs/dbraw/zinc/71/66/50/612716650.db2.gz ZRESUVQVLVDUFO-CZUORRHYSA-N 1 2 348.447 0.316 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)COC)C2)CC1 ZINC000956601166 612923428 /nfs/dbraw/zinc/92/34/28/612923428.db2.gz LESQXOGLVOGUDV-HNNXBMFYSA-N 1 2 337.464 0.980 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[NH+]([C@H]3CCN(C(=O)CC)C3)CC2)c1 ZINC000956603599 612924227 /nfs/dbraw/zinc/92/42/27/612924227.db2.gz CUVIUARAYYLYTH-KRWDZBQOSA-N 1 2 340.427 0.832 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(OC)nc2)[C@@H](n2ccnn2)C1 ZINC001069973872 790265615 /nfs/dbraw/zinc/26/56/15/790265615.db2.gz KMLYAFHTIDOUHO-CABCVRRESA-N 1 2 340.387 0.360 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)nc2)[C@@H](n2ccnn2)C1 ZINC001069973872 790265618 /nfs/dbraw/zinc/26/56/18/790265618.db2.gz KMLYAFHTIDOUHO-CABCVRRESA-N 1 2 340.387 0.360 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2nc(C)c(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001069974593 790266892 /nfs/dbraw/zinc/26/68/92/790266892.db2.gz GWTQOHNIWJYRBG-CABCVRRESA-N 1 2 339.403 0.282 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2nc(C)c(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001069974593 790266896 /nfs/dbraw/zinc/26/68/96/790266896.db2.gz GWTQOHNIWJYRBG-CABCVRRESA-N 1 2 339.403 0.282 20 30 ECEDLO CN(C[C@H](O)CN(C)c1cccc(F)c1C#N)C(=O)Cc1c[nH+]c[nH]1 ZINC001125299428 731913679 /nfs/dbraw/zinc/91/36/79/731913679.db2.gz NUMMHZOZXKYBKA-CYBMUJFWSA-N 1 2 345.378 0.919 20 30 ECEDLO CCOCC(=O)N1CC[C@@H]([NH+]2CCN(c3ncccc3C#N)CC2)C1 ZINC001111963784 738556244 /nfs/dbraw/zinc/55/62/44/738556244.db2.gz WDMRHTSKHVQPTA-MRXNPFEDSA-N 1 2 343.431 0.713 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)cc1 ZINC000969543126 731961985 /nfs/dbraw/zinc/96/19/85/731961985.db2.gz WZBDVWDZAAZTHH-CQSZACIVSA-N 1 2 325.372 0.094 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cn3nc(C)c(Cl)c3C)[C@H]2C1 ZINC001083277214 738574901 /nfs/dbraw/zinc/57/49/01/738574901.db2.gz UNGKYPXERZXKDM-UONOGXRCSA-N 1 2 336.823 0.698 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3nc(C)c(Cl)c3C)[C@H]2C1 ZINC001083277214 738574902 /nfs/dbraw/zinc/57/49/02/738574902.db2.gz UNGKYPXERZXKDM-UONOGXRCSA-N 1 2 336.823 0.698 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2[nH]cc[nH+]2)cn1 ZINC000969744670 732309580 /nfs/dbraw/zinc/30/95/80/732309580.db2.gz HATUKSZVNGHVRB-IYBDPMFKSA-N 1 2 349.394 0.844 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1O ZINC001078082630 782274782 /nfs/dbraw/zinc/27/47/82/782274782.db2.gz QQTASZYPYLPXHJ-QZTJIDSGSA-N 1 2 338.411 0.305 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1O ZINC001078082630 782274791 /nfs/dbraw/zinc/27/47/91/782274791.db2.gz QQTASZYPYLPXHJ-QZTJIDSGSA-N 1 2 338.411 0.305 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1O ZINC001078082630 782274795 /nfs/dbraw/zinc/27/47/95/782274795.db2.gz QQTASZYPYLPXHJ-QZTJIDSGSA-N 1 2 338.411 0.305 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)c(C)cn2)[C@@H](n2ccnn2)C1 ZINC001069984776 790279090 /nfs/dbraw/zinc/27/90/90/790279090.db2.gz JCRQWACVXMHMCM-SJORKVTESA-N 1 2 338.415 0.969 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)c(C)cn2)[C@@H](n2ccnn2)C1 ZINC001069984776 790279092 /nfs/dbraw/zinc/27/90/92/790279092.db2.gz JCRQWACVXMHMCM-SJORKVTESA-N 1 2 338.415 0.969 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sc(COC)nc2C)C1 ZINC001078089707 782286396 /nfs/dbraw/zinc/28/63/96/782286396.db2.gz QDYAYTXTAYIOLK-VXGBXAGGSA-N 1 2 325.434 0.949 20 30 ECEDLO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sc(COC)nc2C)C1 ZINC001078089707 782286401 /nfs/dbraw/zinc/28/64/01/782286401.db2.gz QDYAYTXTAYIOLK-VXGBXAGGSA-N 1 2 325.434 0.949 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@@H]2O)C1 ZINC000970394857 733461780 /nfs/dbraw/zinc/46/17/80/733461780.db2.gz HQXMAMHVQVVFIB-KGLIPLIRSA-N 1 2 346.431 0.397 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@H]2O)C1 ZINC000970398322 733465670 /nfs/dbraw/zinc/46/56/70/733465670.db2.gz CGGYVNZOSHYBMO-ZNMIVQPWSA-N 1 2 346.431 0.878 20 30 ECEDLO C[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970431528 733514155 /nfs/dbraw/zinc/51/41/55/733514155.db2.gz OMVDEWQJSPLZPY-VQISRLSMSA-N 1 2 344.390 0.755 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H](C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC000970753477 733909696 /nfs/dbraw/zinc/90/96/96/733909696.db2.gz JMHXTOYHMKUJIH-VXGBXAGGSA-N 1 2 330.388 0.018 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2COCCN2C(C)=O)C1 ZINC000970902156 734061458 /nfs/dbraw/zinc/06/14/58/734061458.db2.gz QQYGZRDMVMGZHC-BXUZGUMPSA-N 1 2 329.828 0.423 20 30 ECEDLO CC(C)N(CCN(C)c1ccc(C#N)nc1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125438775 734070297 /nfs/dbraw/zinc/07/02/97/734070297.db2.gz DQMAFUBDUGWTFE-KRWDZBQOSA-N 1 2 345.447 0.957 20 30 ECEDLO CC(C)N(CCN(C)c1ccc(C#N)nc1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125438775 734070299 /nfs/dbraw/zinc/07/02/99/734070299.db2.gz DQMAFUBDUGWTFE-KRWDZBQOSA-N 1 2 345.447 0.957 20 30 ECEDLO CC(C)N(CCN(C)c1ccc(C#N)cn1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125439475 734075811 /nfs/dbraw/zinc/07/58/11/734075811.db2.gz OVJGQQWFUHVVMD-MRXNPFEDSA-N 1 2 345.447 0.957 20 30 ECEDLO CC(C)N(CCN(C)c1ccc(C#N)cn1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125439475 734075814 /nfs/dbraw/zinc/07/58/14/734075814.db2.gz OVJGQQWFUHVVMD-MRXNPFEDSA-N 1 2 345.447 0.957 20 30 ECEDLO N#Cc1cnc(N2CCO[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)c(F)c1 ZINC001104325930 734321473 /nfs/dbraw/zinc/32/14/73/734321473.db2.gz AZTZDQITVFYEHV-LBPRGKRZSA-N 1 2 344.350 0.380 20 30 ECEDLO Cc1nsc(N2CCO[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)c1C#N ZINC001104326487 734324733 /nfs/dbraw/zinc/32/47/33/734324733.db2.gz MWJITAZOYUTQNF-LLVKDONJSA-N 1 2 346.416 0.610 20 30 ECEDLO Cc1cc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NCC#N)CCCO2)c(C)o1 ZINC001149131752 734340256 /nfs/dbraw/zinc/34/02/56/734340256.db2.gz SUZCKWMVAGRDDL-CQSZACIVSA-N 1 2 348.403 0.357 20 30 ECEDLO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NCC#N)CCCO2)c(C)o1 ZINC001149131752 734340259 /nfs/dbraw/zinc/34/02/59/734340259.db2.gz SUZCKWMVAGRDDL-CQSZACIVSA-N 1 2 348.403 0.357 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)CCO1 ZINC001104330005 734367988 /nfs/dbraw/zinc/36/79/88/734367988.db2.gz FFJXZTULTFLAEI-MRXNPFEDSA-N 1 2 346.431 0.763 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cncc(N4CCCC4)n3)[C@H]2C1 ZINC001083215293 734420700 /nfs/dbraw/zinc/42/07/00/734420700.db2.gz QJLMXWRMLIHBLF-JKSUJKDBSA-N 1 2 341.415 0.235 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cncc(N4CCCC4)n3)[C@H]2C1 ZINC001083215293 734420702 /nfs/dbraw/zinc/42/07/02/734420702.db2.gz QJLMXWRMLIHBLF-JKSUJKDBSA-N 1 2 341.415 0.235 20 30 ECEDLO CCn1nncc1C[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000971365056 734475694 /nfs/dbraw/zinc/47/56/94/734475694.db2.gz AZSBNTVUYTYCHH-ZDUSSCGKSA-N 1 2 327.392 0.844 20 30 ECEDLO CCn1nncc1C[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000971365056 734475695 /nfs/dbraw/zinc/47/56/95/734475695.db2.gz AZSBNTVUYTYCHH-ZDUSSCGKSA-N 1 2 327.392 0.844 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)CCc3cnc[nH]3)C2)C1=O ZINC000971651210 734879384 /nfs/dbraw/zinc/87/93/84/734879384.db2.gz HHEHISSTFADXFD-JKSUJKDBSA-N 1 2 345.447 0.662 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)CCc3cnc[nH]3)C2)C1=O ZINC000971651210 734879386 /nfs/dbraw/zinc/87/93/86/734879386.db2.gz HHEHISSTFADXFD-JKSUJKDBSA-N 1 2 345.447 0.662 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2cnn(C)c2)C1 ZINC000971703222 734964527 /nfs/dbraw/zinc/96/45/27/734964527.db2.gz AOAMPVRZAWWYAL-SJORKVTESA-N 1 2 329.448 0.550 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2cnn(C)c2)C1 ZINC000971703222 734964528 /nfs/dbraw/zinc/96/45/28/734964528.db2.gz AOAMPVRZAWWYAL-SJORKVTESA-N 1 2 329.448 0.550 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cnn(C)c2)C1 ZINC000971703222 734964533 /nfs/dbraw/zinc/96/45/33/734964533.db2.gz AOAMPVRZAWWYAL-SJORKVTESA-N 1 2 329.448 0.550 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2cnc(C)cn2)C1 ZINC000971703266 734964584 /nfs/dbraw/zinc/96/45/84/734964584.db2.gz BUYCDJZFXUBWHK-ROUUACIJSA-N 1 2 341.459 0.915 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2cnc(C)cn2)C1 ZINC000971703266 734964586 /nfs/dbraw/zinc/96/45/86/734964586.db2.gz BUYCDJZFXUBWHK-ROUUACIJSA-N 1 2 341.459 0.915 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N(CCO)CCNc1[nH+]cnc2c1cnn2C ZINC001111483754 735070508 /nfs/dbraw/zinc/07/05/08/735070508.db2.gz GQMAOVQIUZOSTH-LBPRGKRZSA-N 1 2 348.407 0.187 20 30 ECEDLO 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328.416 0.382 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3COCCN3CC)C2)C1 ZINC000972442083 736205662 /nfs/dbraw/zinc/20/56/62/736205662.db2.gz YMGNFUGOZLFWEK-WMZOPIPTSA-N 1 2 335.448 0.034 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3COCCN3CC)C2)C1 ZINC000972442083 736205664 /nfs/dbraw/zinc/20/56/64/736205664.db2.gz YMGNFUGOZLFWEK-WMZOPIPTSA-N 1 2 335.448 0.034 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccn(CCOC)n3)C2)C1 ZINC000972457381 736250048 /nfs/dbraw/zinc/25/00/48/736250048.db2.gz CFSHYYLWJNJSCW-SFHVURJKSA-N 1 2 346.431 0.470 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccn(CCOC)n3)C2)C1 ZINC000972457381 736250050 /nfs/dbraw/zinc/25/00/50/736250050.db2.gz CFSHYYLWJNJSCW-SFHVURJKSA-N 1 2 346.431 0.470 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3nccn3C)C2)C1 ZINC000972479917 736307035 /nfs/dbraw/zinc/30/70/35/736307035.db2.gz DZUOIMZXBQBYDE-GOSISDBHSA-N 1 2 330.432 0.679 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3nccn3C)C2)C1 ZINC000972479917 736307037 /nfs/dbraw/zinc/30/70/37/736307037.db2.gz DZUOIMZXBQBYDE-GOSISDBHSA-N 1 2 330.432 0.679 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](OC)c3cnn(C)c3)C2)C1 ZINC000972480923 736309013 /nfs/dbraw/zinc/30/90/13/736309013.db2.gz WDCSFUVKYBTOJK-NVXWUHKLSA-N 1 2 332.404 0.044 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](OC)c3cnn(C)c3)C2)C1 ZINC000972480923 736309015 /nfs/dbraw/zinc/30/90/15/736309015.db2.gz WDCSFUVKYBTOJK-NVXWUHKLSA-N 1 2 332.404 0.044 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([N@H+](C)Cc3snnc3C)C2)nn1 ZINC000972507517 736463405 /nfs/dbraw/zinc/46/34/05/736463405.db2.gz XABYWQZVSVGQLL-GFCCVEGCSA-N 1 2 347.448 0.971 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3snnc3C)C2)nn1 ZINC000972507517 736463409 /nfs/dbraw/zinc/46/34/09/736463409.db2.gz XABYWQZVSVGQLL-GFCCVEGCSA-N 1 2 347.448 0.971 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C(C)C)C2)C1 ZINC000972517059 736527712 /nfs/dbraw/zinc/52/77/12/736527712.db2.gz CIVJMMYSMNMLCH-MAUKXSAKSA-N 1 2 333.432 0.322 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C(C)C)C2)C1 ZINC000972517059 736527714 /nfs/dbraw/zinc/52/77/14/736527714.db2.gz CIVJMMYSMNMLCH-MAUKXSAKSA-N 1 2 333.432 0.322 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccoc3CC(N)=O)C2)C1 ZINC000972523724 736567678 /nfs/dbraw/zinc/56/76/78/736567678.db2.gz LTMXQJSQDSHOHL-SFHVURJKSA-N 1 2 345.399 0.248 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccoc3CC(N)=O)C2)C1 ZINC000972523724 736567680 /nfs/dbraw/zinc/56/76/80/736567680.db2.gz LTMXQJSQDSHOHL-SFHVURJKSA-N 1 2 345.399 0.248 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3nnn(CC)c3CC)C2)C1 ZINC000972549689 736683120 /nfs/dbraw/zinc/68/31/20/736683120.db2.gz QFTGVKDGFPMJPV-QGZVFWFLSA-N 1 2 333.436 0.963 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3nnn(CC)c3CC)C2)C1 ZINC000972549689 736683121 /nfs/dbraw/zinc/68/31/21/736683121.db2.gz QFTGVKDGFPMJPV-QGZVFWFLSA-N 1 2 333.436 0.963 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nnnn4CC3)C2)C1 ZINC000972563475 736802020 /nfs/dbraw/zinc/80/20/20/736802020.db2.gz WGTMLGSXRTWGSU-RHSMWYFYSA-N 1 2 346.435 0.115 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nnnn4CC3)C2)C1 ZINC000972563475 736802021 /nfs/dbraw/zinc/80/20/21/736802021.db2.gz WGTMLGSXRTWGSU-RHSMWYFYSA-N 1 2 346.435 0.115 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)C2)C1 ZINC000972574124 736896505 /nfs/dbraw/zinc/89/65/05/736896505.db2.gz WYVKVGFJPXUQBU-CRAIPNDOSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)C2)C1 ZINC000972574124 736896509 /nfs/dbraw/zinc/89/65/09/736896509.db2.gz WYVKVGFJPXUQBU-CRAIPNDOSA-N 1 2 333.432 0.181 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4cccnn43)C2)C1 ZINC000972581890 736938391 /nfs/dbraw/zinc/93/83/91/736938391.db2.gz FNIRVUBRXONCRS-SFHVURJKSA-N 1 2 339.399 0.670 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4cccnn43)C2)C1 ZINC000972581890 736938395 /nfs/dbraw/zinc/93/83/95/736938395.db2.gz FNIRVUBRXONCRS-SFHVURJKSA-N 1 2 339.399 0.670 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cnon3)C2)nn1 ZINC001023637073 737123582 /nfs/dbraw/zinc/12/35/82/737123582.db2.gz CQKTZNMLGKVRGK-LBPRGKRZSA-N 1 2 331.380 0.489 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cnon3)C2)nn1 ZINC001023637073 737123586 /nfs/dbraw/zinc/12/35/86/737123586.db2.gz CQKTZNMLGKVRGK-LBPRGKRZSA-N 1 2 331.380 0.489 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)c3cnn(C)c3)C2)C1 ZINC000972622186 737127979 /nfs/dbraw/zinc/12/79/79/737127979.db2.gz SDRUBVZJSDLLCC-GOSISDBHSA-N 1 2 330.432 0.634 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)c3cnn(C)c3)C2)C1 ZINC000972622186 737127982 /nfs/dbraw/zinc/12/79/82/737127982.db2.gz SDRUBVZJSDLLCC-GOSISDBHSA-N 1 2 330.432 0.634 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3cnccn3)C2)C1 ZINC000972628306 737152889 /nfs/dbraw/zinc/15/28/89/737152889.db2.gz QHZNAABLKLOPSX-SFHVURJKSA-N 1 2 328.416 0.736 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3cnccn3)C2)C1 ZINC000972628306 737152893 /nfs/dbraw/zinc/15/28/93/737152893.db2.gz QHZNAABLKLOPSX-SFHVURJKSA-N 1 2 328.416 0.736 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCN(C(C)=O)C3)C2)C1 ZINC000972628482 737153851 /nfs/dbraw/zinc/15/38/51/737153851.db2.gz SJENLRPREOZZGD-ZWKOTPCHSA-N 1 2 335.448 0.734 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCN(C(C)=O)C3)C2)C1 ZINC000972628482 737153853 /nfs/dbraw/zinc/15/38/53/737153853.db2.gz SJENLRPREOZZGD-ZWKOTPCHSA-N 1 2 335.448 0.734 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCN(C(=O)CC)C3)C2)C1 ZINC000972629844 737161643 /nfs/dbraw/zinc/16/16/43/737161643.db2.gz DMHFVHRLELLQBW-YJBOKZPZSA-N 1 2 335.448 0.734 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCN(C(=O)CC)C3)C2)C1 ZINC000972629844 737161644 /nfs/dbraw/zinc/16/16/44/737161644.db2.gz DMHFVHRLELLQBW-YJBOKZPZSA-N 1 2 335.448 0.734 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 ZINC000972659562 737270896 /nfs/dbraw/zinc/27/08/96/737270896.db2.gz NXSMFICVJWTSEO-IEBWSBKVSA-N 1 2 342.395 0.763 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 ZINC000972659562 737270903 /nfs/dbraw/zinc/27/09/03/737270903.db2.gz NXSMFICVJWTSEO-IEBWSBKVSA-N 1 2 342.395 0.763 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CCN(C(C)=O)CC3)C2)C1 ZINC000972669655 737316951 /nfs/dbraw/zinc/31/69/51/737316951.db2.gz QLXUASNRLBZUQV-IBGZPJMESA-N 1 2 347.459 0.572 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CCN(C(C)=O)CC3)C2)C1 ZINC000972669655 737316952 /nfs/dbraw/zinc/31/69/52/737316952.db2.gz QLXUASNRLBZUQV-IBGZPJMESA-N 1 2 347.459 0.572 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CCCCC3=O)C2)C1 ZINC000972682950 737371626 /nfs/dbraw/zinc/37/16/26/737371626.db2.gz ARFBPWNYAZMMLE-LPHOPBHVSA-N 1 2 347.459 0.714 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CCCCC3=O)C2)C1 ZINC000972682950 737371629 /nfs/dbraw/zinc/37/16/29/737371629.db2.gz ARFBPWNYAZMMLE-LPHOPBHVSA-N 1 2 347.459 0.714 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cncnc3CC)C2)C1 ZINC000972682889 737371936 /nfs/dbraw/zinc/37/19/36/737371936.db2.gz JLPRUJTVQLBXBX-GOSISDBHSA-N 1 2 328.416 0.979 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cncnc3CC)C2)C1 ZINC000972682889 737371942 /nfs/dbraw/zinc/37/19/42/737371942.db2.gz JLPRUJTVQLBXBX-GOSISDBHSA-N 1 2 328.416 0.979 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3cnn(C)c3)C2)C1 ZINC000972685316 737376160 /nfs/dbraw/zinc/37/61/60/737376160.db2.gz NCRRGDYWZWGJBU-SFHVURJKSA-N 1 2 330.432 0.679 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3cnn(C)c3)C2)C1 ZINC000972685316 737376166 /nfs/dbraw/zinc/37/61/66/737376166.db2.gz NCRRGDYWZWGJBU-SFHVURJKSA-N 1 2 330.432 0.679 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C3CC3)N3CCOCC3)C2)C1 ZINC000972685751 737377051 /nfs/dbraw/zinc/37/70/51/737377051.db2.gz SVPQERNAWQRBAC-PKOBYXMFSA-N 1 2 349.475 0.587 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C3CC3)N3CCOCC3)C2)C1 ZINC000972685751 737377062 /nfs/dbraw/zinc/37/70/62/737377062.db2.gz SVPQERNAWQRBAC-PKOBYXMFSA-N 1 2 349.475 0.587 20 30 ECEDLO C#CCN1CCO[C@@]2(CCN(C(=O)[C@H](c3cccnc3)[NH+](C)C)C2)C1 ZINC000972695926 737408033 /nfs/dbraw/zinc/40/80/33/737408033.db2.gz VOZWPAYTPFAQJA-HKUYNNGSSA-N 1 2 342.443 0.621 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccs2)C[C@H]1O ZINC001024357258 737920289 /nfs/dbraw/zinc/92/02/89/737920289.db2.gz OEDOCVTWCVCXMW-HZSPNIEDSA-N 1 2 347.440 0.147 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccs2)C[C@H]1O ZINC001024357258 737920291 /nfs/dbraw/zinc/92/02/91/737920291.db2.gz OEDOCVTWCVCXMW-HZSPNIEDSA-N 1 2 347.440 0.147 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)c[nH+]1 ZINC001024384174 737930304 /nfs/dbraw/zinc/93/03/04/737930304.db2.gz PXFXWRCRRJBXKH-HUUCEWRRSA-N 1 2 344.415 0.028 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2cn[nH]n2)C1=O ZINC001024527356 738062346 /nfs/dbraw/zinc/06/23/46/738062346.db2.gz QWKQKGMGAQLRLJ-OCCSQVGLSA-N 1 2 332.408 0.176 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2cn[nH]n2)C1=O ZINC001024527356 738062353 /nfs/dbraw/zinc/06/23/53/738062353.db2.gz QWKQKGMGAQLRLJ-OCCSQVGLSA-N 1 2 332.408 0.176 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2cnn[nH]2)C1=O ZINC001024527356 738062357 /nfs/dbraw/zinc/06/23/57/738062357.db2.gz QWKQKGMGAQLRLJ-OCCSQVGLSA-N 1 2 332.408 0.176 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2cnn[nH]2)C1=O ZINC001024527356 738062360 /nfs/dbraw/zinc/06/23/60/738062360.db2.gz QWKQKGMGAQLRLJ-OCCSQVGLSA-N 1 2 332.408 0.176 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(=O)n(CCC)n3)[C@H]2C1 ZINC001083271439 738241323 /nfs/dbraw/zinc/24/13/23/738241323.db2.gz JDKILQTWXSOGFP-JKSUJKDBSA-N 1 2 344.415 0.202 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(=O)n(CCC)n3)[C@H]2C1 ZINC001083271439 738241325 /nfs/dbraw/zinc/24/13/25/738241325.db2.gz JDKILQTWXSOGFP-JKSUJKDBSA-N 1 2 344.415 0.202 20 30 ECEDLO C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001104614632 739217148 /nfs/dbraw/zinc/21/71/48/739217148.db2.gz ZUMALLYHGLWEIN-CYBMUJFWSA-N 1 2 346.435 0.718 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000973413456 739231420 /nfs/dbraw/zinc/23/14/20/739231420.db2.gz WSIJIWDFQJGHEA-XFBSOKCSSA-N 1 2 344.415 0.868 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000973413456 739231423 /nfs/dbraw/zinc/23/14/23/739231423.db2.gz WSIJIWDFQJGHEA-XFBSOKCSSA-N 1 2 344.415 0.868 20 30 ECEDLO C=CCO[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](CCS(C)(=O)=O)C2 ZINC001112017950 739467349 /nfs/dbraw/zinc/46/73/49/739467349.db2.gz WEJOWBKTJXTWHP-YCPHGPKFSA-N 1 2 344.477 0.593 20 30 ECEDLO C=CCO[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCS(C)(=O)=O)C2 ZINC001112017950 739467353 /nfs/dbraw/zinc/46/73/53/739467353.db2.gz WEJOWBKTJXTWHP-YCPHGPKFSA-N 1 2 344.477 0.593 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)[C@H](C)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001104682777 739478552 /nfs/dbraw/zinc/47/85/52/739478552.db2.gz CDWHXTLSYFAWNL-KGLIPLIRSA-N 1 2 345.447 0.762 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)[C@H](C)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001104682777 739478555 /nfs/dbraw/zinc/47/85/55/739478555.db2.gz CDWHXTLSYFAWNL-KGLIPLIRSA-N 1 2 345.447 0.762 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc(OC)c(Cl)c3)[C@H]2C1 ZINC001083282218 739581865 /nfs/dbraw/zinc/58/18/65/739581865.db2.gz UMXXOUCTTDATNB-UONOGXRCSA-N 1 2 335.791 0.902 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc(OC)c(Cl)c3)[C@H]2C1 ZINC001083282218 739581868 /nfs/dbraw/zinc/58/18/68/739581868.db2.gz UMXXOUCTTDATNB-UONOGXRCSA-N 1 2 335.791 0.902 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H](C)C2CN(C(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC001006533671 751488821 /nfs/dbraw/zinc/48/88/21/751488821.db2.gz KUHQAZDUNLCEHB-LBPRGKRZSA-N 1 2 337.383 0.605 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C=C(C)C)C2)nn1 ZINC001098604146 739896745 /nfs/dbraw/zinc/89/67/45/739896745.db2.gz IFCXJCUOOZVOIJ-INIZCTEOSA-N 1 2 331.420 0.757 20 30 ECEDLO C=CC[NH2+]CC[C@@H]1CN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@H]1C ZINC001104802222 740539414 /nfs/dbraw/zinc/53/94/14/740539414.db2.gz BRYQKMKHOXFEIQ-CHWSQXEVSA-N 1 2 344.419 0.331 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3cnccn3)C2)C1=O ZINC001006617745 751575635 /nfs/dbraw/zinc/57/56/35/751575635.db2.gz YBCPFGVZCVRGHQ-ZFWWWQNUSA-N 1 2 329.404 0.458 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cnccn3)C2)C1=O ZINC001006617745 751575636 /nfs/dbraw/zinc/57/56/36/751575636.db2.gz YBCPFGVZCVRGHQ-ZFWWWQNUSA-N 1 2 329.404 0.458 20 30 ECEDLO CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCc4[nH]nnc4C3)C2)C1 ZINC000982116588 751609810 /nfs/dbraw/zinc/60/98/10/751609810.db2.gz NHRWAAQKCXVPGU-AWEZNQCLSA-N 1 2 327.432 0.857 20 30 ECEDLO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCc4[nH]nnc4C3)C2)C1 ZINC000982116588 751609818 /nfs/dbraw/zinc/60/98/18/751609818.db2.gz NHRWAAQKCXVPGU-AWEZNQCLSA-N 1 2 327.432 0.857 20 30 ECEDLO CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCc4nn[nH]c4C3)C2)C1 ZINC000982116588 751609827 /nfs/dbraw/zinc/60/98/27/751609827.db2.gz NHRWAAQKCXVPGU-AWEZNQCLSA-N 1 2 327.432 0.857 20 30 ECEDLO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCc4nn[nH]c4C3)C2)C1 ZINC000982116588 751609833 /nfs/dbraw/zinc/60/98/33/751609833.db2.gz NHRWAAQKCXVPGU-AWEZNQCLSA-N 1 2 327.432 0.857 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnn(C)n2)C1 ZINC001105090255 741336864 /nfs/dbraw/zinc/33/68/64/741336864.db2.gz OHSHWXQNHHRKLQ-MGPQQGTHSA-N 1 2 336.440 0.375 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)CC(F)(F)F)C2)nn1 ZINC001105178852 741443820 /nfs/dbraw/zinc/44/38/20/741443820.db2.gz VCSLOAGUIJMNKG-UHFFFAOYSA-N 1 2 345.325 0.353 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[N@@H+]([C@@H]3CCCNC3=O)CC2)nn1 ZINC000982142889 751638726 /nfs/dbraw/zinc/63/87/26/751638726.db2.gz LJOBNVIXCWSQHH-OAHLLOKOSA-N 1 2 346.435 0.281 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[N@H+]([C@@H]3CCCNC3=O)CC2)nn1 ZINC000982142889 751638731 /nfs/dbraw/zinc/63/87/31/751638731.db2.gz LJOBNVIXCWSQHH-OAHLLOKOSA-N 1 2 346.435 0.281 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC(n2cc(C[NH2+]C[C@H](F)CC)nn2)C1 ZINC001105240473 741531779 /nfs/dbraw/zinc/53/17/79/741531779.db2.gz OONCFTCNAATUBV-CHWSQXEVSA-N 1 2 337.399 0.537 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC(n2cc(C[NH2+][C@H](C)C(=O)NC)nn2)C1 ZINC001105249621 741558680 /nfs/dbraw/zinc/55/86/80/741558680.db2.gz YULZTPVTIKGGQL-GFCCVEGCSA-N 1 2 348.451 0.488 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc4[nH]ccc4c3)C2)nn1 ZINC001105264305 741598847 /nfs/dbraw/zinc/59/88/47/741598847.db2.gz DYPGJFWOJNNCHI-UHFFFAOYSA-N 1 2 335.371 0.526 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(OC)nc3)C2)nn1 ZINC001105278908 741635389 /nfs/dbraw/zinc/63/53/89/741635389.db2.gz YSBOOPDIYVDJMD-UHFFFAOYSA-N 1 2 340.387 0.492 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(CC)nnc3C)C2)nn1 ZINC001105292619 741654647 /nfs/dbraw/zinc/65/46/47/741654647.db2.gz XVEXTUKNGOUSDY-UHFFFAOYSA-N 1 2 339.403 0.359 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)nn(C)c3Cl)C2)nn1 ZINC001105295102 741667425 /nfs/dbraw/zinc/66/74/25/741667425.db2.gz YUIUBPUVRFEQFF-UHFFFAOYSA-N 1 2 347.810 0.393 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(CCC)n[nH]3)C2)nn1 ZINC001105297766 741676083 /nfs/dbraw/zinc/67/60/83/741676083.db2.gz VFGHQFUVONRUTC-UHFFFAOYSA-N 1 2 341.419 0.764 20 30 ECEDLO C=CCCC1(C(=O)N(CCO)CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001058728029 741685382 /nfs/dbraw/zinc/68/53/82/741685382.db2.gz IHMBEOSODBRORD-UHFFFAOYSA-N 1 2 348.447 0.944 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@]3(C)C=CCC3)C2)nn1 ZINC001105303304 741698417 /nfs/dbraw/zinc/69/84/17/741698417.db2.gz IUESRGYTDMWANA-SFHVURJKSA-N 1 2 343.431 0.757 20 30 ECEDLO CC#CCCCC(=O)N1CC(n2cc(C[NH2+]CC(=O)N(C)C)nn2)C1 ZINC001105307953 741709246 /nfs/dbraw/zinc/70/92/46/741709246.db2.gz FOMDRMOOLMKMGA-UHFFFAOYSA-N 1 2 346.435 0.033 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CC(n2cc(C[NH2+][C@H](C)C(=O)NC)nn2)C1 ZINC001105309823 741718237 /nfs/dbraw/zinc/71/82/37/741718237.db2.gz DCBABPRYBSDHIJ-OLZOCXBDSA-N 1 2 348.451 0.488 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccc(OC)cn3)C2)nn1 ZINC001105312355 741722483 /nfs/dbraw/zinc/72/24/83/741722483.db2.gz LNNNISZQTVUMQF-UHFFFAOYSA-N 1 2 340.387 0.031 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)CC)C2)nn1 ZINC001105314038 741734019 /nfs/dbraw/zinc/73/40/19/741734019.db2.gz LUPFPJFQYBRTAK-UHFFFAOYSA-N 1 2 348.451 0.489 20 30 ECEDLO C=CCCCC(=O)N1CC(n2cc(C[NH2+]CC(=O)N(C)C)nn2)C1 ZINC001105317091 741751224 /nfs/dbraw/zinc/75/12/24/741751224.db2.gz HWGQBJQYXIREID-UHFFFAOYSA-N 1 2 334.424 0.196 20 30 ECEDLO C=CCCCC(=O)N1CC(n2cc(C[NH2+]CC(=O)NCC)nn2)C1 ZINC001105317065 741751303 /nfs/dbraw/zinc/75/13/03/741751303.db2.gz GKDMDFNKNAMVGK-UHFFFAOYSA-N 1 2 334.424 0.243 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)cn1 ZINC000974670029 741975868 /nfs/dbraw/zinc/97/58/68/741975868.db2.gz KMIPMEGHHZTIJF-RHSMWYFYSA-N 1 2 349.394 0.702 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC34CC4)C2)nn1 ZINC001105333592 741983230 /nfs/dbraw/zinc/98/32/30/741983230.db2.gz MAQSIQREJWMWQM-HNNXBMFYSA-N 1 2 329.404 0.201 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccnc(N(C)C)c3)C2)nn1 ZINC001105336582 742380438 /nfs/dbraw/zinc/38/04/38/742380438.db2.gz IAPJHDFUWAITLT-UHFFFAOYSA-N 1 2 339.403 0.159 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C(C)(C)C1 ZINC000975033221 742464027 /nfs/dbraw/zinc/46/40/27/742464027.db2.gz YWTBEUJKSXEKOD-TUAOUCFPSA-N 1 2 329.828 0.598 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C(C)(C)C1 ZINC000975033221 742464028 /nfs/dbraw/zinc/46/40/28/742464028.db2.gz YWTBEUJKSXEKOD-TUAOUCFPSA-N 1 2 329.828 0.598 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001028928563 742884200 /nfs/dbraw/zinc/88/42/00/742884200.db2.gz LGQXEMFVRFSFCS-SNVBAGLBSA-N 1 2 336.783 0.222 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]([C@H](C)c3nnnn3C)C2)nc1 ZINC001028936273 742923050 /nfs/dbraw/zinc/92/30/50/742923050.db2.gz STHATQPSPPQNFA-TZMCWYRMSA-N 1 2 339.403 0.399 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@H](C)c3nnnn3C)C2)nc1 ZINC001028936273 742923054 /nfs/dbraw/zinc/92/30/54/742923054.db2.gz STHATQPSPPQNFA-TZMCWYRMSA-N 1 2 339.403 0.399 20 30 ECEDLO C#CCNC(=O)CC(=O)NCC[NH2+][C@H](C)c1ncc(C(C)(C)C)o1 ZINC001125998360 743158098 /nfs/dbraw/zinc/15/80/98/743158098.db2.gz PFUGXJYAXHXUDZ-GFCCVEGCSA-N 1 2 334.420 0.878 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nc1 ZINC000997086264 743213103 /nfs/dbraw/zinc/21/31/03/743213103.db2.gz AWIUTKSKNMFEBB-ZIAGYGMSSA-N 1 2 335.367 0.530 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nc1 ZINC000997086264 743213109 /nfs/dbraw/zinc/21/31/09/743213109.db2.gz AWIUTKSKNMFEBB-ZIAGYGMSSA-N 1 2 335.367 0.530 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)cn1 ZINC000997102993 743238679 /nfs/dbraw/zinc/23/86/79/743238679.db2.gz YMJFAKDUDNEVCW-OAHLLOKOSA-N 1 2 349.394 0.847 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1 ZINC000975974074 743423582 /nfs/dbraw/zinc/42/35/82/743423582.db2.gz NXGUFNATFQLIHZ-IPYPFGDCSA-N 1 2 329.404 0.572 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)CCc3[nH+]ccn3C)[C@H]2C1 ZINC000975976042 743424990 /nfs/dbraw/zinc/42/49/90/743424990.db2.gz WSUXENHTTVCDAU-ILXRZTDVSA-N 1 2 343.431 0.962 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC000983551545 743429822 /nfs/dbraw/zinc/42/98/22/743429822.db2.gz AYMLXAPAHFKUDI-KGLIPLIRSA-N 1 2 340.387 0.940 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@H]2C1 ZINC000975968579 743435575 /nfs/dbraw/zinc/43/55/75/743435575.db2.gz PNJYAHIVTWHTPN-ILXRZTDVSA-N 1 2 329.404 0.882 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](Cc2nnnn2C)CC1 ZINC000997309406 743474234 /nfs/dbraw/zinc/47/42/34/743474234.db2.gz QUPGTLFZADOHEV-YUELXQCFSA-N 1 2 348.451 0.518 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]([N@H+](C)Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001027337166 743799974 /nfs/dbraw/zinc/79/99/74/743799974.db2.gz ZHCJMXSZCVNZNG-JSGCOSHPSA-N 1 2 342.403 0.605 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]([N@@H+](C)Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001027337166 743799975 /nfs/dbraw/zinc/79/99/75/743799975.db2.gz ZHCJMXSZCVNZNG-JSGCOSHPSA-N 1 2 342.403 0.605 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@H]32)c1 ZINC000976337247 743834923 /nfs/dbraw/zinc/83/49/23/743834923.db2.gz TXYWMDZPZWWLER-VIKVFOODSA-N 1 2 338.371 0.429 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@H]32)c1 ZINC000976337247 743834929 /nfs/dbraw/zinc/83/49/29/743834929.db2.gz TXYWMDZPZWWLER-VIKVFOODSA-N 1 2 338.371 0.429 20 30 ECEDLO C=C1CC(C)(C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001058773750 744190828 /nfs/dbraw/zinc/19/08/28/744190828.db2.gz VYOWLUJDAHSMGM-ZIAGYGMSSA-N 1 2 346.431 0.807 20 30 ECEDLO C=C1CC(C)(C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001058773750 744190830 /nfs/dbraw/zinc/19/08/30/744190830.db2.gz VYOWLUJDAHSMGM-ZIAGYGMSSA-N 1 2 346.431 0.807 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000976727892 744251085 /nfs/dbraw/zinc/25/10/85/744251085.db2.gz NPIBENWFOCSGQC-WPTOEGHWSA-N 1 2 327.388 0.178 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]31)C2 ZINC000976724333 744271119 /nfs/dbraw/zinc/27/11/19/744271119.db2.gz APKAQPHORCSMKE-ONCMJBGHSA-N 1 2 341.415 0.556 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]31)CC2 ZINC000976724333 744271123 /nfs/dbraw/zinc/27/11/23/744271123.db2.gz APKAQPHORCSMKE-ONCMJBGHSA-N 1 2 341.415 0.556 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@H]32)cn1 ZINC000976914493 744474259 /nfs/dbraw/zinc/47/42/59/744474259.db2.gz RJVWVGAVQQVNDB-VQFNDLOPSA-N 1 2 349.394 0.605 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@H]32)cn1 ZINC000976914493 744474261 /nfs/dbraw/zinc/47/42/61/744474261.db2.gz RJVWVGAVQQVNDB-VQFNDLOPSA-N 1 2 349.394 0.605 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc4cccnn43)C2)nn1 ZINC001105339674 744604572 /nfs/dbraw/zinc/60/45/72/744604572.db2.gz VXUJPRVLWBOSNP-UHFFFAOYSA-N 1 2 335.371 0.346 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000977057200 744624949 /nfs/dbraw/zinc/62/49/49/744624949.db2.gz QMLQBIMXMUCPSN-WSGDXGOYSA-N 1 2 330.388 0.116 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)nc1 ZINC000999355535 744648601 /nfs/dbraw/zinc/64/86/01/744648601.db2.gz MZTMTTSHANPOKG-CQSZACIVSA-N 1 2 349.394 0.847 20 30 ECEDLO C=C(C)C[NH2+]C1CC(N(C)C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC000999566331 744762757 /nfs/dbraw/zinc/76/27/57/744762757.db2.gz LRRBRMXQZUWHLA-UHFFFAOYSA-N 1 2 330.392 0.226 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3nnc[nH]3)C(C)(C)C2)C1=O ZINC000977354885 744891314 /nfs/dbraw/zinc/89/13/14/744891314.db2.gz JDAJDDQWFIERRS-NWDGAFQWSA-N 1 2 332.408 0.032 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3nnc[nH]3)C(C)(C)C2)C1=O ZINC000977354885 744891316 /nfs/dbraw/zinc/89/13/16/744891316.db2.gz JDAJDDQWFIERRS-NWDGAFQWSA-N 1 2 332.408 0.032 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[C@H]3COC(=O)C3)[C@@H](O)C2)s1 ZINC001083407133 745020628 /nfs/dbraw/zinc/02/06/28/745020628.db2.gz IVXPMSRSANHDHW-HONMWMINSA-N 1 2 349.412 0.234 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C[C@H]3COC(=O)C3)[C@@H](O)C2)s1 ZINC001083407133 745020634 /nfs/dbraw/zinc/02/06/34/745020634.db2.gz IVXPMSRSANHDHW-HONMWMINSA-N 1 2 349.412 0.234 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C(C)(C)C1 ZINC000977472602 745063496 /nfs/dbraw/zinc/06/34/96/745063496.db2.gz WCMSNGJUWWIHCH-LLVKDONJSA-N 1 2 342.827 0.460 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C(C)(C)C1 ZINC000977472602 745063497 /nfs/dbraw/zinc/06/34/97/745063497.db2.gz WCMSNGJUWWIHCH-LLVKDONJSA-N 1 2 342.827 0.460 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001000008348 745175824 /nfs/dbraw/zinc/17/58/24/745175824.db2.gz AIIOHNKEDKNDCQ-OLZOCXBDSA-N 1 2 332.404 0.605 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001098697753 745235732 /nfs/dbraw/zinc/23/57/32/745235732.db2.gz KWUHJDNCQNOHEK-CQSZACIVSA-N 1 2 348.451 0.489 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nncs4)C[C@H]32)c[nH]1 ZINC000978033425 745806998 /nfs/dbraw/zinc/80/69/98/745806998.db2.gz CHJHGCWBRIACRR-XYYAHUGASA-N 1 2 328.401 0.846 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nncs4)C[C@H]32)c[nH]1 ZINC000978033425 745807005 /nfs/dbraw/zinc/80/70/05/745807005.db2.gz CHJHGCWBRIACRR-XYYAHUGASA-N 1 2 328.401 0.846 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1CCS(C)(=O)=O ZINC001087545348 745937681 /nfs/dbraw/zinc/93/76/81/745937681.db2.gz FBEPLDDOJAHMNA-GXTWGEPZSA-N 1 2 338.433 0.514 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1CCS(C)(=O)=O ZINC001087545348 745937683 /nfs/dbraw/zinc/93/76/83/745937683.db2.gz FBEPLDDOJAHMNA-GXTWGEPZSA-N 1 2 338.433 0.514 20 30 ECEDLO N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)n1 ZINC001059338416 746020369 /nfs/dbraw/zinc/02/03/69/746020369.db2.gz DFEHWUHXENPRPF-JHJVBQTASA-N 1 2 337.387 0.866 20 30 ECEDLO N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)cn1 ZINC001059339280 746021370 /nfs/dbraw/zinc/02/13/70/746021370.db2.gz TYQLTLWCOFRYLF-JHJVBQTASA-N 1 2 337.387 0.866 20 30 ECEDLO CCn1nncc1C[N@@H+]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001007031492 752054769 /nfs/dbraw/zinc/05/47/69/752054769.db2.gz VTYMSVCFVIROAC-ZDUSSCGKSA-N 1 2 327.392 0.892 20 30 ECEDLO CCn1nncc1C[N@H+]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001007031492 752054776 /nfs/dbraw/zinc/05/47/76/752054776.db2.gz VTYMSVCFVIROAC-ZDUSSCGKSA-N 1 2 327.392 0.892 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3ncccn3)CC2)C1=O ZINC000982370009 752061383 /nfs/dbraw/zinc/06/13/83/752061383.db2.gz NQCAHJHYQCASID-CQSZACIVSA-N 1 2 329.404 0.411 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3ncccn3)CC2)C1=O ZINC000982370009 752061388 /nfs/dbraw/zinc/06/13/88/752061388.db2.gz NQCAHJHYQCASID-CQSZACIVSA-N 1 2 329.404 0.411 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CCN1CC#N ZINC001087672727 746169947 /nfs/dbraw/zinc/16/99/47/746169947.db2.gz GRVBHBOMKISWQH-GVDBMIGSSA-N 1 2 334.464 0.980 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CCN1CC#N ZINC001087672727 746169948 /nfs/dbraw/zinc/16/99/48/746169948.db2.gz GRVBHBOMKISWQH-GVDBMIGSSA-N 1 2 334.464 0.980 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCS(C)(=O)=O)[C@@H]1C ZINC001088576010 752067846 /nfs/dbraw/zinc/06/78/46/752067846.db2.gz RKWYBGYOYGMRGG-KBXIAJHMSA-N 1 2 344.477 0.591 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCS(C)(=O)=O)[C@@H]1C ZINC001088576010 752067851 /nfs/dbraw/zinc/06/78/51/752067851.db2.gz RKWYBGYOYGMRGG-KBXIAJHMSA-N 1 2 344.477 0.591 20 30 ECEDLO C#CC[N@@H+](C)[C@H]1CCCN(C(=O)C2(S(C)(=O)=O)CCCC2)C1 ZINC001027613558 746235305 /nfs/dbraw/zinc/23/53/05/746235305.db2.gz KACHAVFXJPJHLU-AWEZNQCLSA-N 1 2 326.462 0.900 20 30 ECEDLO C#CC[N@H+](C)[C@H]1CCCN(C(=O)C2(S(C)(=O)=O)CCCC2)C1 ZINC001027613558 746235307 /nfs/dbraw/zinc/23/53/07/746235307.db2.gz KACHAVFXJPJHLU-AWEZNQCLSA-N 1 2 326.462 0.900 20 30 ECEDLO O=C([C@H]1CCNC1=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029420513 746339125 /nfs/dbraw/zinc/33/91/25/746339125.db2.gz DABIXHUOKHTRJD-KSZLIROESA-N 1 2 337.423 0.849 20 30 ECEDLO O=C([C@H]1CCNC1=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029420513 746339129 /nfs/dbraw/zinc/33/91/29/746339129.db2.gz DABIXHUOKHTRJD-KSZLIROESA-N 1 2 337.423 0.849 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C3CCC(O)CC3)[C@@H](O)C2)s1 ZINC001083435567 752086456 /nfs/dbraw/zinc/08/64/56/752086456.db2.gz ZVQQKZUQXKUXEU-TUHYSUIHSA-N 1 2 349.456 0.832 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C3CCC(O)CC3)[C@@H](O)C2)s1 ZINC001083435567 752086464 /nfs/dbraw/zinc/08/64/64/752086464.db2.gz ZVQQKZUQXKUXEU-TUHYSUIHSA-N 1 2 349.456 0.832 20 30 ECEDLO N#Cc1cc(C(=O)NCC2CN(C(=O)CCc3[nH]cc[nH+]3)C2)c[nH]1 ZINC001001506087 746444514 /nfs/dbraw/zinc/44/45/14/746444514.db2.gz KFUHAHRWEFXUOT-UHFFFAOYSA-N 1 2 326.360 0.430 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2CC[NH+](Cc3ncnn3C)CC2)cn1 ZINC001002054760 746932365 /nfs/dbraw/zinc/93/23/65/746932365.db2.gz JEGJYWWDFBANTB-UHFFFAOYSA-N 1 2 338.415 0.833 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2[nH]cc[nH+]2)c[nH]1 ZINC001002136083 747015913 /nfs/dbraw/zinc/01/59/13/747015913.db2.gz QLRCHJCJCIBPRB-MCIONIFRSA-N 1 2 338.371 0.714 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](CC)C(N)=O)nn1 ZINC001029507603 747199554 /nfs/dbraw/zinc/19/95/54/747199554.db2.gz SGGQVUDTRLWAAP-SCRDCRAPSA-N 1 2 332.408 0.017 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](CC)C(N)=O)nn1 ZINC001029507603 747199555 /nfs/dbraw/zinc/19/95/55/747199555.db2.gz SGGQVUDTRLWAAP-SCRDCRAPSA-N 1 2 332.408 0.017 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3ncccc3O)C2)C1=O ZINC001007187905 752172639 /nfs/dbraw/zinc/17/26/39/752172639.db2.gz HRWOKRXCBPXTJR-KBPBESRZSA-N 1 2 344.415 0.768 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3ncccc3O)C2)C1=O ZINC001007187905 752172641 /nfs/dbraw/zinc/17/26/41/752172641.db2.gz HRWOKRXCBPXTJR-KBPBESRZSA-N 1 2 344.415 0.768 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H](CC)C(N)=O)nc1 ZINC001029558666 747510459 /nfs/dbraw/zinc/51/04/59/747510459.db2.gz PCDZNIPXLHXETG-IJEWVQPXSA-N 1 2 326.400 0.616 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](CC)C(N)=O)nc1 ZINC001029558666 747510462 /nfs/dbraw/zinc/51/04/62/747510462.db2.gz PCDZNIPXLHXETG-IJEWVQPXSA-N 1 2 326.400 0.616 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000979326260 747616720 /nfs/dbraw/zinc/61/67/20/747616720.db2.gz YRTIXBUFXUVLNY-CLWVCHIJSA-N 1 2 346.431 0.565 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC([N@H+](C)Cc2nnc3n2CCOC3)CC1 ZINC000985338428 747738593 /nfs/dbraw/zinc/73/85/93/747738593.db2.gz IJWPWCGCEXLTQU-LBPRGKRZSA-N 1 2 332.408 0.391 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC([N@@H+](C)Cc2nnc3n2CCOC3)CC1 ZINC000985338428 747738597 /nfs/dbraw/zinc/73/85/97/747738597.db2.gz IJWPWCGCEXLTQU-LBPRGKRZSA-N 1 2 332.408 0.391 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](C[N@H+](C)Cc2nnc3n2CCOC3)C1 ZINC001029676874 748039719 /nfs/dbraw/zinc/03/97/19/748039719.db2.gz GZBFIUNAVBWHNB-STQMWFEESA-N 1 2 332.408 0.248 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2nnc3n2CCOC3)C1 ZINC001029676874 748039728 /nfs/dbraw/zinc/03/97/28/748039728.db2.gz GZBFIUNAVBWHNB-STQMWFEESA-N 1 2 332.408 0.248 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1)C(=O)c1cc(C#N)c[nH]1 ZINC001003064993 748134959 /nfs/dbraw/zinc/13/49/59/748134959.db2.gz QEWWDDCLPSWBIH-CQSZACIVSA-N 1 2 340.387 0.915 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000979664993 748185648 /nfs/dbraw/zinc/18/56/48/748185648.db2.gz OFWLVSXMINZURG-AULYBMBSSA-N 1 2 340.387 0.785 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001059561579 748429760 /nfs/dbraw/zinc/42/97/60/748429760.db2.gz YLJKMJOTJYROQB-LSDHHAIUSA-N 1 2 346.431 0.735 20 30 ECEDLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12 ZINC000979823263 748470068 /nfs/dbraw/zinc/47/00/68/748470068.db2.gz NCNUZEJKYJOLBG-RBSFLKMASA-N 1 2 326.400 0.719 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12 ZINC000979823902 748471624 /nfs/dbraw/zinc/47/16/24/748471624.db2.gz NNSATPOTFZMADS-DJIMGWMZSA-N 1 2 340.427 0.729 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CC[NH+](Cc3nc(=O)n(C)[nH]3)CC2)cc1 ZINC001003410755 748519832 /nfs/dbraw/zinc/51/98/32/748519832.db2.gz GFLJHTSAEVXPIM-UHFFFAOYSA-N 1 2 339.399 0.484 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc[nH]n1 ZINC001003674985 748783891 /nfs/dbraw/zinc/78/38/91/748783891.db2.gz NNPILQHNRPWXDJ-OJLVUWQFSA-N 1 2 341.415 0.369 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc[nH]n1 ZINC001003674985 748783896 /nfs/dbraw/zinc/78/38/96/748783896.db2.gz NNPILQHNRPWXDJ-OJLVUWQFSA-N 1 2 341.415 0.369 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccn[nH]1 ZINC001003674985 748783901 /nfs/dbraw/zinc/78/39/01/748783901.db2.gz NNPILQHNRPWXDJ-OJLVUWQFSA-N 1 2 341.415 0.369 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccn[nH]1 ZINC001003674985 748783906 /nfs/dbraw/zinc/78/39/06/748783906.db2.gz NNPILQHNRPWXDJ-OJLVUWQFSA-N 1 2 341.415 0.369 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](C)OCC(C)C)C2)nn1 ZINC001098631007 748792447 /nfs/dbraw/zinc/79/24/47/748792447.db2.gz ZGEWFNWHYFBOGP-GOEBONIOSA-N 1 2 333.436 0.835 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001003780618 748886477 /nfs/dbraw/zinc/88/64/77/748886477.db2.gz ZPDANYYIJLIAFN-XJKSGUPXSA-N 1 2 348.447 0.364 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001003780618 748886481 /nfs/dbraw/zinc/88/64/81/748886481.db2.gz ZPDANYYIJLIAFN-XJKSGUPXSA-N 1 2 348.447 0.364 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCCO2)[C@H](OC)C1 ZINC001211903157 748963218 /nfs/dbraw/zinc/96/32/18/748963218.db2.gz GQRUNNYWKHVVTK-RBSFLKMASA-N 1 2 339.436 0.063 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCCO2)[C@H](OC)C1 ZINC001211903157 748963223 /nfs/dbraw/zinc/96/32/23/748963223.db2.gz GQRUNNYWKHVVTK-RBSFLKMASA-N 1 2 339.436 0.063 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(CC)n[nH]2)[C@H](OC)C1 ZINC001211903267 748964344 /nfs/dbraw/zinc/96/43/44/748964344.db2.gz HYJCMPUQSJONFM-NILFDRSVSA-N 1 2 349.435 0.092 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(CC)n[nH]2)[C@H](OC)C1 ZINC001211903267 748964349 /nfs/dbraw/zinc/96/43/49/748964349.db2.gz HYJCMPUQSJONFM-NILFDRSVSA-N 1 2 349.435 0.092 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccco3)C2)nn1 ZINC001105345585 748999489 /nfs/dbraw/zinc/99/94/89/748999489.db2.gz IGRFIEBRYPRXNY-UHFFFAOYSA-N 1 2 343.387 0.237 20 30 ECEDLO C#CC[NH2+][C@H]1CCCCCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001088400596 749039354 /nfs/dbraw/zinc/03/93/54/749039354.db2.gz SZYNQDATVVYWQK-ZDUSSCGKSA-N 1 2 342.403 0.065 20 30 ECEDLO Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)CCc2[nH]cc[nH+]2)n1 ZINC001105803716 761913940 /nfs/dbraw/zinc/91/39/40/761913940.db2.gz HSISMLDOMXBILL-ZDUSSCGKSA-N 1 2 328.376 0.507 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001059648527 749109392 /nfs/dbraw/zinc/10/93/92/749109392.db2.gz UORAMVVJXLPUHA-GJZGRUSLSA-N 1 2 332.404 0.276 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H](CC)OC)CC2)CC1 ZINC000985827492 749190300 /nfs/dbraw/zinc/19/03/00/749190300.db2.gz YPTZMBAZZJVQJF-HNNXBMFYSA-N 1 2 338.452 0.479 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3ncc[nH]3)CC2)CC1 ZINC000985830047 749194541 /nfs/dbraw/zinc/19/45/41/749194541.db2.gz WKWMRXLPSOKETR-UHFFFAOYSA-N 1 2 332.408 0.091 20 30 ECEDLO C#Cc1cncc(C(=O)NCC2CN(C(=O)CCc3[nH]cc[nH+]3)C2)c1 ZINC001004198322 749304483 /nfs/dbraw/zinc/30/44/83/749304483.db2.gz BXTPGDTZEZYNTG-UHFFFAOYSA-N 1 2 337.383 0.607 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3nncn3C)C2)nc1 ZINC001029889376 749436589 /nfs/dbraw/zinc/43/65/89/749436589.db2.gz BRWLFSVUCPZWKD-OAHLLOKOSA-N 1 2 338.415 0.786 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)Cc3nncn3C)C2)nc1 ZINC001029889376 749436595 /nfs/dbraw/zinc/43/65/95/749436595.db2.gz BRWLFSVUCPZWKD-OAHLLOKOSA-N 1 2 338.415 0.786 20 30 ECEDLO C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CCN(c2cncc(C#N)n2)CC1 ZINC001126639702 749695686 /nfs/dbraw/zinc/69/56/86/749695686.db2.gz SJNLBUIGPLPGAV-CYBMUJFWSA-N 1 2 339.403 0.966 20 30 ECEDLO C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001004747588 749813780 /nfs/dbraw/zinc/81/37/80/749813780.db2.gz VMVBYPIOZIMJAW-SMDDNHRTSA-N 1 2 340.387 0.819 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CC3CCCC3)[C@@H](O)C2)C1=O ZINC001083318381 749851902 /nfs/dbraw/zinc/85/19/02/749851902.db2.gz PIKDKXGOZWWSKJ-PMPSAXMXSA-N 1 2 335.448 0.515 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CC3CCCC3)[C@@H](O)C2)C1=O ZINC001083318381 749851906 /nfs/dbraw/zinc/85/19/06/749851906.db2.gz PIKDKXGOZWWSKJ-PMPSAXMXSA-N 1 2 335.448 0.515 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001149137332 749869514 /nfs/dbraw/zinc/86/95/14/749869514.db2.gz OBIDNVRLIYTUFF-HZPDHXFCSA-N 1 2 333.432 0.299 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001149137332 749869523 /nfs/dbraw/zinc/86/95/23/749869523.db2.gz OBIDNVRLIYTUFF-HZPDHXFCSA-N 1 2 333.432 0.299 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cn3cnnn3)CC2)s1 ZINC000980677154 749962189 /nfs/dbraw/zinc/96/21/89/749962189.db2.gz HPPORECUSHFXSO-UHFFFAOYSA-N 1 2 331.405 0.341 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cn3cnnn3)CC2)s1 ZINC000980677154 749962193 /nfs/dbraw/zinc/96/21/93/749962193.db2.gz HPPORECUSHFXSO-UHFFFAOYSA-N 1 2 331.405 0.341 20 30 ECEDLO C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001004989947 750108228 /nfs/dbraw/zinc/10/82/28/750108228.db2.gz KDCUSZBVYPVZHW-IUODEOHRSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001004993063 750113067 /nfs/dbraw/zinc/11/30/67/750113067.db2.gz RVYGGVYKMRXPQL-SWLSCSKDSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001005209875 750377774 /nfs/dbraw/zinc/37/77/74/750377774.db2.gz VPOKJUTUMVVJAI-FZMZJTMJSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000980978712 750415641 /nfs/dbraw/zinc/41/56/41/750415641.db2.gz DHOPDQRMYNSDBB-GFCCVEGCSA-N 1 2 329.404 0.701 20 30 ECEDLO C[C@H](C(=O)NC1CC1)[N@H+]1CCCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000980978712 750415644 /nfs/dbraw/zinc/41/56/44/750415644.db2.gz DHOPDQRMYNSDBB-GFCCVEGCSA-N 1 2 329.404 0.701 20 30 ECEDLO CN(C(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C#N)[nH]2)CC1)C1CC1 ZINC000980980103 750419700 /nfs/dbraw/zinc/41/97/00/750419700.db2.gz WGXRQMDETZDRQG-UHFFFAOYSA-N 1 2 329.404 0.655 20 30 ECEDLO CN(C(=O)C[N@H+]1CCCN(C(=O)c2ccc(C#N)[nH]2)CC1)C1CC1 ZINC000980980103 750419706 /nfs/dbraw/zinc/41/97/06/750419706.db2.gz WGXRQMDETZDRQG-UHFFFAOYSA-N 1 2 329.404 0.655 20 30 ECEDLO C=C(C)C[NH2+][C@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H]1C ZINC000987188280 750571162 /nfs/dbraw/zinc/57/11/62/750571162.db2.gz IBSUNXYHJGEVRV-AAEUAGOBSA-N 1 2 330.392 0.226 20 30 ECEDLO C=C(Br)C[NH2+][C@H]1CCN(C(=O)Cc2ncn[nH]2)[C@H]1C ZINC000987323173 750711034 /nfs/dbraw/zinc/71/10/34/750711034.db2.gz UZEPBYWOILMYQF-UWVGGRQHSA-N 1 2 328.214 0.835 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC001006015066 750925777 /nfs/dbraw/zinc/92/57/77/750925777.db2.gz BTGUUUIHKNUZPW-KGLIPLIRSA-N 1 2 349.435 0.122 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H](C)C2CN(C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC001006102577 751017245 /nfs/dbraw/zinc/01/72/45/751017245.db2.gz CZXNQQQURIWRES-NSHDSACASA-N 1 2 343.391 0.007 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001028140110 751192120 /nfs/dbraw/zinc/19/21/20/751192120.db2.gz IMWUMTWRWGJJIM-XHSDSOJGSA-N 1 2 344.390 0.899 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001028140110 751192124 /nfs/dbraw/zinc/19/21/24/751192124.db2.gz IMWUMTWRWGJJIM-XHSDSOJGSA-N 1 2 344.390 0.899 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001059832943 751193920 /nfs/dbraw/zinc/19/39/20/751193920.db2.gz MJVATXOCGTVZNT-GJZGRUSLSA-N 1 2 334.420 0.829 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3n[nH]cc3F)CC2)C1=O ZINC000981900221 751257484 /nfs/dbraw/zinc/25/74/84/751257484.db2.gz QPJHMKUDFLMJFV-CYBMUJFWSA-N 1 2 335.383 0.484 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3n[nH]cc3F)CC2)C1=O ZINC000981900221 751257488 /nfs/dbraw/zinc/25/74/88/751257488.db2.gz QPJHMKUDFLMJFV-CYBMUJFWSA-N 1 2 335.383 0.484 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2CCCCCC2)[C@H](OC)C1 ZINC001211997558 752340088 /nfs/dbraw/zinc/34/00/88/752340088.db2.gz ZFGBMFDUBCGKDA-DJIMGWMZSA-N 1 2 349.475 0.910 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2CCCCCC2)[C@H](OC)C1 ZINC001211997558 752340096 /nfs/dbraw/zinc/34/00/96/752340096.db2.gz ZFGBMFDUBCGKDA-DJIMGWMZSA-N 1 2 349.475 0.910 20 30 ECEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1OC ZINC001212022404 752412285 /nfs/dbraw/zinc/41/22/85/752412285.db2.gz PBHRJRJUYPNAFW-RRFJBIMHSA-N 1 2 339.436 0.015 20 30 ECEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](C)C2)C[C@H]1OC ZINC001212022404 752412287 /nfs/dbraw/zinc/41/22/87/752412287.db2.gz PBHRJRJUYPNAFW-RRFJBIMHSA-N 1 2 339.436 0.015 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC2=CCCCC2)[C@H](OC)C1 ZINC001212017212 752415314 /nfs/dbraw/zinc/41/53/14/752415314.db2.gz BJWSXGMTWZXTND-HZPDHXFCSA-N 1 2 335.448 0.995 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC2=CCCCC2)[C@H](OC)C1 ZINC001212017212 752415321 /nfs/dbraw/zinc/41/53/21/752415321.db2.gz BJWSXGMTWZXTND-HZPDHXFCSA-N 1 2 335.448 0.995 20 30 ECEDLO CN(CCN(C)c1[nH+]cnc2c1cnn2C)C(=O)c1c[nH]c(C#N)c1 ZINC001105368701 752477688 /nfs/dbraw/zinc/47/76/88/752477688.db2.gz XBCVDKWAIUCOLL-UHFFFAOYSA-N 1 2 338.375 0.771 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CCN1C(=O)C#CC1CC1 ZINC000988716826 752604833 /nfs/dbraw/zinc/60/48/33/752604833.db2.gz XRGZQIZTAZOFFM-KMFMINBZSA-N 1 2 340.427 0.965 20 30 ECEDLO C=CCOCCCC(=O)N[C@@H]1C[N@@H+]([C@H](CC)C(N)=O)C[C@H]1OC ZINC001212092730 752713010 /nfs/dbraw/zinc/71/30/10/752713010.db2.gz OLVXZSVCCIJAQW-MGPQQGTHSA-N 1 2 327.425 0.049 20 30 ECEDLO C=CCOCCCC(=O)N[C@@H]1C[N@H+]([C@H](CC)C(N)=O)C[C@H]1OC ZINC001212092730 752713013 /nfs/dbraw/zinc/71/30/13/752713013.db2.gz OLVXZSVCCIJAQW-MGPQQGTHSA-N 1 2 327.425 0.049 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC(F)(F)F)[C@H](OC)C1 ZINC001212085357 752717259 /nfs/dbraw/zinc/71/72/59/752717259.db2.gz PRTAGXDYKKQROZ-QJPTWQEYSA-N 1 2 349.353 0.282 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC(F)(F)F)[C@H](OC)C1 ZINC001212085357 752717264 /nfs/dbraw/zinc/71/72/64/752717264.db2.gz PRTAGXDYKKQROZ-QJPTWQEYSA-N 1 2 349.353 0.282 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cccc(F)c2)[C@H](OC)C1 ZINC001211783942 752726852 /nfs/dbraw/zinc/72/68/52/752726852.db2.gz KJWAFAZSBLVAPU-APHBMKBZSA-N 1 2 349.406 0.945 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccc(F)c2)[C@H](OC)C1 ZINC001211783942 752726856 /nfs/dbraw/zinc/72/68/56/752726856.db2.gz KJWAFAZSBLVAPU-APHBMKBZSA-N 1 2 349.406 0.945 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC2CCC2)[C@H](OC)C1 ZINC001212098981 752735635 /nfs/dbraw/zinc/73/56/35/752735635.db2.gz UQSIJHCMXDWQRV-FVQBIDKESA-N 1 2 335.448 0.520 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC2CCC2)[C@H](OC)C1 ZINC001212098981 752735640 /nfs/dbraw/zinc/73/56/40/752735640.db2.gz UQSIJHCMXDWQRV-FVQBIDKESA-N 1 2 335.448 0.520 20 30 ECEDLO N#Cc1cncc(N[C@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)n1 ZINC001058995506 752795885 /nfs/dbraw/zinc/79/58/85/752795885.db2.gz JLJKZKPHXQXICM-OLZOCXBDSA-N 1 2 337.387 0.820 20 30 ECEDLO N#Cc1nccc(N[C@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)n1 ZINC001058995718 752809929 /nfs/dbraw/zinc/80/99/29/752809929.db2.gz UBYKRDICXNMYPJ-OLZOCXBDSA-N 1 2 337.387 0.242 20 30 ECEDLO C[C@H](c1nnnn1C)[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001028490283 752830513 /nfs/dbraw/zinc/83/05/13/752830513.db2.gz IEGCZZIUOMWJST-MNOVXSKESA-N 1 2 328.380 0.223 20 30 ECEDLO C[C@H](c1nnnn1C)[N@H+]1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001028490283 752830521 /nfs/dbraw/zinc/83/05/21/752830521.db2.gz IEGCZZIUOMWJST-MNOVXSKESA-N 1 2 328.380 0.223 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)Nc3ccon3)C2)c[nH]1 ZINC001028491696 752835755 /nfs/dbraw/zinc/83/57/55/752835755.db2.gz HJLLPKNQCUGFRA-NSHDSACASA-N 1 2 342.359 0.565 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)Nc3ccon3)C2)c[nH]1 ZINC001028491696 752835763 /nfs/dbraw/zinc/83/57/63/752835763.db2.gz HJLLPKNQCUGFRA-NSHDSACASA-N 1 2 342.359 0.565 20 30 ECEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H](C)NC(C)=O ZINC001211814051 752937704 /nfs/dbraw/zinc/93/77/04/752937704.db2.gz QPIFGSPBROTYCP-BMGDILEWSA-N 1 2 343.427 0.378 20 30 ECEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H](C)NC(C)=O ZINC001211814051 752937707 /nfs/dbraw/zinc/93/77/07/752937707.db2.gz QPIFGSPBROTYCP-BMGDILEWSA-N 1 2 343.427 0.378 20 30 ECEDLO C=CCn1cccc1C(=O)N1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C[C@@H]1C ZINC000988969841 753091875 /nfs/dbraw/zinc/09/18/75/753091875.db2.gz WUZSQGLAVRTUKA-STQMWFEESA-N 1 2 344.419 0.489 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2nn(C)cc2Cl)C1 ZINC001051494976 762207612 /nfs/dbraw/zinc/20/76/12/762207612.db2.gz PSPGKPAGKMFJTF-GHMZBOCLSA-N 1 2 325.800 0.550 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001008369785 753665593 /nfs/dbraw/zinc/66/55/93/753665593.db2.gz CYTMDVJKSQCGQP-HUUCEWRRSA-N 1 2 327.388 0.320 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001008369785 753665601 /nfs/dbraw/zinc/66/56/01/753665601.db2.gz CYTMDVJKSQCGQP-HUUCEWRRSA-N 1 2 327.388 0.320 20 30 ECEDLO Cc1ncc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)[nH]1 ZINC001083371243 753709535 /nfs/dbraw/zinc/70/95/35/753709535.db2.gz HCGPWHDNJODPCM-CVEARBPZSA-N 1 2 325.372 0.565 20 30 ECEDLO Cc1ncc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)[nH]1 ZINC001083371243 753709541 /nfs/dbraw/zinc/70/95/41/753709541.db2.gz HCGPWHDNJODPCM-CVEARBPZSA-N 1 2 325.372 0.565 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC(C)C)[C@H](OC)C1 ZINC001211835983 753715745 /nfs/dbraw/zinc/71/57/45/753715745.db2.gz RDBAUXCBSSFTFU-RBSFLKMASA-N 1 2 325.453 0.929 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC(C)C)[C@H](OC)C1 ZINC001211835983 753715746 /nfs/dbraw/zinc/71/57/46/753715746.db2.gz RDBAUXCBSSFTFU-RBSFLKMASA-N 1 2 325.453 0.929 20 30 ECEDLO CC1(C)CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001008495655 753812364 /nfs/dbraw/zinc/81/23/64/753812364.db2.gz AUEUKTZIFRTWRB-ZDUSSCGKSA-N 1 2 340.387 0.819 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3cc[nH]c(=O)c3)[C@@H](O)C2)s1 ZINC001083397182 753813134 /nfs/dbraw/zinc/81/31/34/753813134.db2.gz WOEVIUBDTXNKFL-KGLIPLIRSA-N 1 2 344.396 0.695 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)c3cc[nH]c(=O)c3)[C@@H](O)C2)s1 ZINC001083397182 753813138 /nfs/dbraw/zinc/81/31/38/753813138.db2.gz WOEVIUBDTXNKFL-KGLIPLIRSA-N 1 2 344.396 0.695 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001008549077 753902489 /nfs/dbraw/zinc/90/24/89/753902489.db2.gz AKSPKMHDBSDPFU-OAGGEKHMSA-N 1 2 326.400 0.760 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001008549077 753902496 /nfs/dbraw/zinc/90/24/96/753902496.db2.gz AKSPKMHDBSDPFU-OAGGEKHMSA-N 1 2 326.400 0.760 20 30 ECEDLO COCCN(CCNC(=O)Cc1[nH]cc[nH+]1)c1nc(C)cc(C#N)n1 ZINC001126395454 753958923 /nfs/dbraw/zinc/95/89/23/753958923.db2.gz MZMHYTCFSQUWDO-UHFFFAOYSA-N 1 2 343.391 0.192 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+]([C@@H](C)C(=O)NC3CC3)CC2)nc1 ZINC000989513199 754063849 /nfs/dbraw/zinc/06/38/49/754063849.db2.gz ZZYAHQQXRIXSOE-AWEZNQCLSA-N 1 2 340.427 0.878 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@H+]([C@@H](C)C(=O)NC3CC3)CC2)nc1 ZINC000989513199 754063856 /nfs/dbraw/zinc/06/38/56/754063856.db2.gz ZZYAHQQXRIXSOE-AWEZNQCLSA-N 1 2 340.427 0.878 20 30 ECEDLO Cc1nc(NCc2cn([C@H]3CCN(C(=O)[C@H](C)C#N)C3)nn2)cc[nH+]1 ZINC001051519603 762268431 /nfs/dbraw/zinc/26/84/31/762268431.db2.gz XWCUDQNANIJXBD-RISCZKNCSA-N 1 2 340.391 0.922 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC001008845491 754194710 /nfs/dbraw/zinc/19/47/10/754194710.db2.gz JXYRQEKDXQTCGG-ZOBUZTSGSA-N 1 2 335.448 0.827 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001008845491 754194712 /nfs/dbraw/zinc/19/47/12/754194712.db2.gz JXYRQEKDXQTCGG-ZOBUZTSGSA-N 1 2 335.448 0.827 20 30 ECEDLO C=CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001008893944 754273599 /nfs/dbraw/zinc/27/35/99/754273599.db2.gz UXOLGUXXTPGTSI-GFCCVEGCSA-N 1 2 330.392 0.228 20 30 ECEDLO C=CCC[N@H+]1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001008893944 754273605 /nfs/dbraw/zinc/27/36/05/754273605.db2.gz UXOLGUXXTPGTSI-GFCCVEGCSA-N 1 2 330.392 0.228 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3ccncn3)C2)C1=O ZINC001008922357 754314174 /nfs/dbraw/zinc/31/41/74/754314174.db2.gz HQJBDLXZRWWYOI-DZGCQCFKSA-N 1 2 329.404 0.458 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3ccncn3)C2)C1=O ZINC001008922357 754314179 /nfs/dbraw/zinc/31/41/79/754314179.db2.gz HQJBDLXZRWWYOI-DZGCQCFKSA-N 1 2 329.404 0.458 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3ncccn3)C2)C1=O ZINC001008956672 754357194 /nfs/dbraw/zinc/35/71/94/754357194.db2.gz OUYGDVXOQBHKRP-KGLIPLIRSA-N 1 2 329.404 0.458 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3ncccn3)C2)C1=O ZINC001008956672 754357200 /nfs/dbraw/zinc/35/72/00/754357200.db2.gz OUYGDVXOQBHKRP-KGLIPLIRSA-N 1 2 329.404 0.458 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C)C1 ZINC000989791116 754449716 /nfs/dbraw/zinc/44/97/16/754449716.db2.gz RRYGMHGJIZHWIP-ILXRZTDVSA-N 1 2 335.448 0.779 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C)C1 ZINC000989791116 754449718 /nfs/dbraw/zinc/44/97/18/754449718.db2.gz RRYGMHGJIZHWIP-ILXRZTDVSA-N 1 2 335.448 0.779 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3oncc3C)C2)C1=O ZINC001009077331 754514268 /nfs/dbraw/zinc/51/42/68/754514268.db2.gz XABNGDDYPWNGBQ-UONOGXRCSA-N 1 2 332.404 0.964 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3oncc3C)C2)C1=O ZINC001009077331 754514269 /nfs/dbraw/zinc/51/42/69/754514269.db2.gz XABNGDDYPWNGBQ-UONOGXRCSA-N 1 2 332.404 0.964 20 30 ECEDLO Cc1noc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)n1 ZINC001051555832 762330913 /nfs/dbraw/zinc/33/09/13/762330913.db2.gz OXJCEYXUZRUZNC-GFCCVEGCSA-N 1 2 330.348 0.209 20 30 ECEDLO Cn1cnnc1C[N@@H+]1CC[C@]2(NC(=O)c3cc(C#N)c[nH]3)CCC[C@@H]12 ZINC000990160618 754785349 /nfs/dbraw/zinc/78/53/49/754785349.db2.gz JZAPQSYOVQGLSK-RHSMWYFYSA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1cnnc1C[N@H+]1CC[C@]2(NC(=O)c3cc(C#N)c[nH]3)CCC[C@@H]12 ZINC000990160618 754785354 /nfs/dbraw/zinc/78/53/54/754785354.db2.gz JZAPQSYOVQGLSK-RHSMWYFYSA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1cc(C[N@@H+]2CC[C@@]3(NC(=O)c4c[nH]c(C#N)c4)CCC[C@@H]23)nn1 ZINC000990288452 754925883 /nfs/dbraw/zinc/92/58/83/754925883.db2.gz LNDIBCGGBSZXBG-WBVHZDCISA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1cc(C[N@H+]2CC[C@@]3(NC(=O)c4c[nH]c(C#N)c4)CCC[C@@H]23)nn1 ZINC000990288452 754925887 /nfs/dbraw/zinc/92/58/87/754925887.db2.gz LNDIBCGGBSZXBG-WBVHZDCISA-N 1 2 339.403 0.942 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](CNC(=O)c3[nH]ncc3F)C2)C1=O ZINC001028783818 755117575 /nfs/dbraw/zinc/11/75/75/755117575.db2.gz HBNWUFRJFMAEGR-YPMHNXCESA-N 1 2 335.383 0.387 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](CNC(=O)c3[nH]ncc3F)C2)C1=O ZINC001028783818 755117576 /nfs/dbraw/zinc/11/75/76/755117576.db2.gz HBNWUFRJFMAEGR-YPMHNXCESA-N 1 2 335.383 0.387 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2nnnn2C(C)C)C1 ZINC001028810084 755197883 /nfs/dbraw/zinc/19/78/83/755197883.db2.gz WHNXRXFAPZVPES-KFWWJZLASA-N 1 2 348.451 0.783 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2nnnn2C(C)C)C1 ZINC001028810084 755197887 /nfs/dbraw/zinc/19/78/87/755197887.db2.gz WHNXRXFAPZVPES-KFWWJZLASA-N 1 2 348.451 0.783 20 30 ECEDLO N#Cc1nccc(NC[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC001060038731 755256655 /nfs/dbraw/zinc/25/66/55/755256655.db2.gz HXDZRMBQEGDXGQ-CYBMUJFWSA-N 1 2 325.376 0.317 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCC[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001060039751 755280793 /nfs/dbraw/zinc/28/07/93/755280793.db2.gz IENVJXXYUHZLQN-KSSFIOAISA-N 1 2 348.447 0.943 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3nonc3C)C2)nn1 ZINC001028851616 755308416 /nfs/dbraw/zinc/30/84/16/755308416.db2.gz RQCKPDIBNCHGSA-GFCCVEGCSA-N 1 2 331.380 0.407 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3nonc3C)C2)nn1 ZINC001028851616 755308419 /nfs/dbraw/zinc/30/84/19/755308419.db2.gz RQCKPDIBNCHGSA-GFCCVEGCSA-N 1 2 331.380 0.407 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3nc(C)no3)C2)nn1 ZINC001028855317 755318187 /nfs/dbraw/zinc/31/81/87/755318187.db2.gz YSMJISHGLVXJRC-CYBMUJFWSA-N 1 2 345.407 0.798 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3nc(C)no3)C2)nn1 ZINC001028855317 755318194 /nfs/dbraw/zinc/31/81/94/755318194.db2.gz YSMJISHGLVXJRC-CYBMUJFWSA-N 1 2 345.407 0.798 20 30 ECEDLO C#CCOCCC(=O)NCC[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001060042085 755355191 /nfs/dbraw/zinc/35/51/91/755355191.db2.gz LXMXUQBHCXTKSK-HNNXBMFYSA-N 1 2 346.431 0.655 20 30 ECEDLO COc1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3nc[nH]n3)C2)cc1C#N ZINC001028875668 755359600 /nfs/dbraw/zinc/35/96/00/755359600.db2.gz LGHLRKVKKAYTLV-CYBMUJFWSA-N 1 2 340.387 0.937 20 30 ECEDLO COc1ccc(C[N@H+]2CC[C@H](CNC(=O)c3nc[nH]n3)C2)cc1C#N ZINC001028875668 755359608 /nfs/dbraw/zinc/35/96/08/755359608.db2.gz LGHLRKVKKAYTLV-CYBMUJFWSA-N 1 2 340.387 0.937 20 30 ECEDLO CN(CC[NH+]1CCN(c2cnc(C#N)cn2)CC1)C(=O)C1(C)CC1 ZINC001102428177 755632659 /nfs/dbraw/zinc/63/26/59/755632659.db2.gz TZWMFERHBDMJGO-UHFFFAOYSA-N 1 2 328.420 0.729 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C(F)(F)F)nn2C)[C@@H](O)C1 ZINC001083489486 755677669 /nfs/dbraw/zinc/67/76/69/755677669.db2.gz GVQHEZNLCIORLG-KOLCDFICSA-N 1 2 330.310 0.237 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(F)(F)F)nn2C)[C@@H](O)C1 ZINC001083489486 755677670 /nfs/dbraw/zinc/67/76/70/755677670.db2.gz GVQHEZNLCIORLG-KOLCDFICSA-N 1 2 330.310 0.237 20 30 ECEDLO C[C@@H]1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)CN1C(=O)Cn1cc[nH+]c1 ZINC001010198542 755795920 /nfs/dbraw/zinc/79/59/20/755795920.db2.gz BCWBWCOISQBDFM-OLZOCXBDSA-N 1 2 340.387 0.750 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cncnc3)C2)nn1 ZINC001098659422 755818631 /nfs/dbraw/zinc/81/86/31/755818631.db2.gz OWYFFGFVZJANHY-HNNXBMFYSA-N 1 2 325.376 0.268 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3c(C)ccn3C)C2)nn1 ZINC001098661430 756048849 /nfs/dbraw/zinc/04/88/49/756048849.db2.gz MBBYPKOHRBHSAI-OAHLLOKOSA-N 1 2 326.404 0.735 20 30 ECEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(Cc3cc(C#N)ccc3F)C2)C1 ZINC001010427592 756124277 /nfs/dbraw/zinc/12/42/77/756124277.db2.gz LZUBPGRALBCYKO-NVXWUHKLSA-N 1 2 346.406 0.718 20 30 ECEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(Cc3cc(C#N)ccc3F)C2)C1 ZINC001010427592 756124279 /nfs/dbraw/zinc/12/42/79/756124279.db2.gz LZUBPGRALBCYKO-NVXWUHKLSA-N 1 2 346.406 0.718 20 30 ECEDLO C[C@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001060101976 756136614 /nfs/dbraw/zinc/13/66/14/756136614.db2.gz LHZRNVIGXUCVEH-KGLIPLIRSA-N 1 2 331.420 0.867 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001076305301 756337037 /nfs/dbraw/zinc/33/70/37/756337037.db2.gz WAQTXIVEQPTSOE-GUYCJALGSA-N 1 2 336.436 0.691 20 30 ECEDLO COc1cncc(C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001010697440 756412562 /nfs/dbraw/zinc/41/25/62/756412562.db2.gz KUCUCAZZTRYAGJ-GFCCVEGCSA-N 1 2 326.360 0.689 20 30 ECEDLO COc1cncc(C[N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001010697440 756412565 /nfs/dbraw/zinc/41/25/65/756412565.db2.gz KUCUCAZZTRYAGJ-GFCCVEGCSA-N 1 2 326.360 0.689 20 30 ECEDLO Cn1ncc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)c1N ZINC001010709242 756428903 /nfs/dbraw/zinc/42/89/03/756428903.db2.gz RSUXERUBJCGZNK-HNNXBMFYSA-N 1 2 341.390 0.997 20 30 ECEDLO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)c1N ZINC001010709242 756428904 /nfs/dbraw/zinc/42/89/04/756428904.db2.gz RSUXERUBJCGZNK-HNNXBMFYSA-N 1 2 341.390 0.997 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)c1cn[nH]c(=O)c1 ZINC001083548582 756573224 /nfs/dbraw/zinc/57/32/24/756573224.db2.gz SULCDABVDALTIV-CVEARBPZSA-N 1 2 338.367 0.009 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)c1cn[nH]c(=O)c1 ZINC001083548582 756573232 /nfs/dbraw/zinc/57/32/32/756573232.db2.gz SULCDABVDALTIV-CVEARBPZSA-N 1 2 338.367 0.009 20 30 ECEDLO Cn1nncc1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010828195 756576032 /nfs/dbraw/zinc/57/60/32/756576032.db2.gz GVNYYOZENXLHKM-ZDUSSCGKSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1nncc1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010828195 756576035 /nfs/dbraw/zinc/57/60/35/756576035.db2.gz GVNYYOZENXLHKM-ZDUSSCGKSA-N 1 2 328.351 0.830 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)c(F)c1 ZINC001010831802 756579351 /nfs/dbraw/zinc/57/93/51/756579351.db2.gz APZJXRWPIBZUEE-TZMCWYRMSA-N 1 2 332.335 0.496 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)c(F)c1 ZINC001010831802 756579356 /nfs/dbraw/zinc/57/93/56/756579356.db2.gz APZJXRWPIBZUEE-TZMCWYRMSA-N 1 2 332.335 0.496 20 30 ECEDLO C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001076506329 756591179 /nfs/dbraw/zinc/59/11/79/756591179.db2.gz SAOMOWQUYGZENQ-KGLIPLIRSA-N 1 2 334.420 0.639 20 30 ECEDLO C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001076506329 756591182 /nfs/dbraw/zinc/59/11/82/756591182.db2.gz SAOMOWQUYGZENQ-KGLIPLIRSA-N 1 2 334.420 0.639 20 30 ECEDLO C[C@H](CC(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1)n1cc[nH+]c1 ZINC000990894790 756730259 /nfs/dbraw/zinc/73/02/59/756730259.db2.gz YZXTVTBEEPIYFT-LLVKDONJSA-N 1 2 326.360 0.675 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C3(C4CC4)CC3)[C@@H](O)C2)C1=O ZINC001083552002 756791725 /nfs/dbraw/zinc/79/17/25/756791725.db2.gz MRHPQWBZXPAOLK-ILXRZTDVSA-N 1 2 333.432 0.125 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C3(C4CC4)CC3)[C@@H](O)C2)C1=O ZINC001083552002 756791726 /nfs/dbraw/zinc/79/17/26/756791726.db2.gz MRHPQWBZXPAOLK-ILXRZTDVSA-N 1 2 333.432 0.125 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cccs3)C2)C1=O ZINC001076685524 756843121 /nfs/dbraw/zinc/84/31/21/756843121.db2.gz JNIBYOPTTOWFIH-RBSFLKMASA-N 1 2 349.456 0.239 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cccs3)C2)C1=O ZINC001076685524 756843125 /nfs/dbraw/zinc/84/31/25/756843125.db2.gz JNIBYOPTTOWFIH-RBSFLKMASA-N 1 2 349.456 0.239 20 30 ECEDLO C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001048769958 756942114 /nfs/dbraw/zinc/94/21/14/756942114.db2.gz XALQMUCYKNHFLN-KBPBESRZSA-N 1 2 334.420 0.729 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)NCc1cn(C2C[NH+](CCOC)C2)nn1 ZINC001107140649 756961990 /nfs/dbraw/zinc/96/19/90/756961990.db2.gz OULJELKUEGNGHW-ZDUSSCGKSA-N 1 2 337.424 0.379 20 30 ECEDLO O=C(C[C@H]1CCCO1)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001076758083 756977528 /nfs/dbraw/zinc/97/75/28/756977528.db2.gz LVCAFATYQQMZGJ-KZNAEPCWSA-N 1 2 346.402 0.908 20 30 ECEDLO O=C(C[C@H]1CCCO1)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001076758083 756977536 /nfs/dbraw/zinc/97/75/36/756977536.db2.gz LVCAFATYQQMZGJ-KZNAEPCWSA-N 1 2 346.402 0.908 20 30 ECEDLO N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cc[nH+]c2)c[nH]1 ZINC000996128108 757001571 /nfs/dbraw/zinc/00/15/71/757001571.db2.gz XCXUFRWARVTSNH-ILXRZTDVSA-N 1 2 338.371 0.645 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCCO3)C2)s1 ZINC001076759692 757025448 /nfs/dbraw/zinc/02/54/48/757025448.db2.gz ZDXPGQKNEBKREL-KCPJHIHWSA-N 1 2 335.429 0.850 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCCO3)C2)s1 ZINC001076759692 757025459 /nfs/dbraw/zinc/02/54/59/757025459.db2.gz ZDXPGQKNEBKREL-KCPJHIHWSA-N 1 2 335.429 0.850 20 30 ECEDLO C[C@H](C#N)C(=O)NCc1cn(C2C[NH+](C[C@@H]3CCCCO3)C2)nn1 ZINC001107149835 757052523 /nfs/dbraw/zinc/05/25/23/757052523.db2.gz SBNOICULPOFBHV-DOMZBBRYSA-N 1 2 332.408 0.480 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c3)C2)cc1C#N ZINC001076770005 757065830 /nfs/dbraw/zinc/06/58/30/757065830.db2.gz YRYXGRPEVYAMTL-HUUCEWRRSA-N 1 2 341.371 0.265 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c3)C2)cc1C#N ZINC001076770005 757065835 /nfs/dbraw/zinc/06/58/35/757065835.db2.gz YRYXGRPEVYAMTL-HUUCEWRRSA-N 1 2 341.371 0.265 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)n3cccc3)nn2)C1 ZINC001107159180 757131902 /nfs/dbraw/zinc/13/19/02/757131902.db2.gz MNBSKEPKAXGHFT-CQSZACIVSA-N 1 2 326.404 0.837 20 30 ECEDLO CC(C)C#CC(=O)NCc1cn(C2CN(Cc3c[nH+]cn3C)C2)nn1 ZINC001107169449 757206736 /nfs/dbraw/zinc/20/67/36/757206736.db2.gz IYLAEFFOZMJKLM-UHFFFAOYSA-N 1 2 341.419 0.344 20 30 ECEDLO CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)cn1 ZINC001076817306 757240664 /nfs/dbraw/zinc/24/06/64/757240664.db2.gz PSFTUTOESUBYRI-IAGOWNOFSA-N 1 2 339.399 0.750 20 30 ECEDLO CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)cn1 ZINC001076817306 757240670 /nfs/dbraw/zinc/24/06/70/757240670.db2.gz PSFTUTOESUBYRI-IAGOWNOFSA-N 1 2 339.399 0.750 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCc3ccnn3C)nn2)C1 ZINC001107176630 757255932 /nfs/dbraw/zinc/25/59/32/757255932.db2.gz FIYXNGZLJFMBLT-UHFFFAOYSA-N 1 2 341.419 0.141 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCNC(=O)[C@@H]3C[C@H]3C)nn2)C1 ZINC001107176973 757258775 /nfs/dbraw/zinc/25/87/75/757258775.db2.gz VVTDNSCLCQMZBX-IUODEOHRSA-N 1 2 346.435 0.099 20 30 ECEDLO C[C@H](C#N)C(=O)N[C@@H](C)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001076859858 757381111 /nfs/dbraw/zinc/38/11/11/757381111.db2.gz FAZQMSHQQGBFDG-OLZOCXBDSA-N 1 2 331.420 0.933 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@]3(C)CCO[C@@H]3C)nn2)C1 ZINC001107186958 757387989 /nfs/dbraw/zinc/38/79/89/757387989.db2.gz HREZEUQGGSRXGB-CXAGYDPISA-N 1 2 331.420 0.589 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](OC)[C@@H](C)CC)nn2)C1 ZINC001107183849 757393833 /nfs/dbraw/zinc/39/38/33/757393833.db2.gz WEMMUCZBXMMPFE-BBRMVZONSA-N 1 2 333.436 0.835 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@@H](C)CO3)nn2)C1 ZINC001107187832 757418435 /nfs/dbraw/zinc/41/84/35/757418435.db2.gz KAFSTPWFFLYOEZ-CJNGLKHVSA-N 1 2 349.435 0.379 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCN(C(=O)[C@@H](C)C#N)CC1)C2 ZINC001011304877 757463979 /nfs/dbraw/zinc/46/39/79/757463979.db2.gz NZWNVVSVBVYAOU-WCQYABFASA-N 1 2 329.404 0.654 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCN(C(=O)[C@@H](C)C#N)CC1)CC2 ZINC001011304877 757463982 /nfs/dbraw/zinc/46/39/82/757463982.db2.gz NZWNVVSVBVYAOU-WCQYABFASA-N 1 2 329.404 0.654 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)[C@@H]1CCCCO1 ZINC001076885552 757464637 /nfs/dbraw/zinc/46/46/37/757464637.db2.gz DYBGPHMEYYSYJF-KURKYZTESA-N 1 2 328.412 0.769 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)[C@@H]1CCCCO1 ZINC001076885552 757464644 /nfs/dbraw/zinc/46/46/44/757464644.db2.gz DYBGPHMEYYSYJF-KURKYZTESA-N 1 2 328.412 0.769 20 30 ECEDLO C#CCC1(C(=O)N(C)[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2O)CCC1 ZINC001048949256 757491644 /nfs/dbraw/zinc/49/16/44/757491644.db2.gz GETMDASEDIRUKV-GJZGRUSLSA-N 1 2 344.415 0.176 20 30 ECEDLO Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)sn1 ZINC001076905793 757557678 /nfs/dbraw/zinc/55/76/78/757557678.db2.gz APCJODKVZVUGJI-ZIAGYGMSSA-N 1 2 331.401 0.626 20 30 ECEDLO Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)sn1 ZINC001076905793 757557687 /nfs/dbraw/zinc/55/76/87/757557687.db2.gz APCJODKVZVUGJI-ZIAGYGMSSA-N 1 2 331.401 0.626 20 30 ECEDLO Cn1nccc1CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001076935541 757666411 /nfs/dbraw/zinc/66/64/11/757666411.db2.gz CATXKUICIFKWKQ-QZTJIDSGSA-N 1 2 338.411 0.176 20 30 ECEDLO Cn1nccc1CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001076935541 757666419 /nfs/dbraw/zinc/66/64/19/757666419.db2.gz CATXKUICIFKWKQ-QZTJIDSGSA-N 1 2 338.411 0.176 20 30 ECEDLO C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001049023477 757724845 /nfs/dbraw/zinc/72/48/45/757724845.db2.gz DPQCPQIIKOGGDU-VDERGJSUSA-N 1 2 346.431 0.900 20 30 ECEDLO C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001049023477 757724850 /nfs/dbraw/zinc/72/48/50/757724850.db2.gz DPQCPQIIKOGGDU-VDERGJSUSA-N 1 2 346.431 0.900 20 30 ECEDLO C=C1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4nnnn4C)C[C@@H]3C2)CC1 ZINC001049026400 757729504 /nfs/dbraw/zinc/72/95/04/757729504.db2.gz ORYYBSOAIQYBGL-GASCZTMLSA-N 1 2 330.436 0.847 20 30 ECEDLO C=C1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4nnnn4C)C[C@@H]3C2)CC1 ZINC001049026400 757729512 /nfs/dbraw/zinc/72/95/12/757729512.db2.gz ORYYBSOAIQYBGL-GASCZTMLSA-N 1 2 330.436 0.847 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1O ZINC001077018775 757948443 /nfs/dbraw/zinc/94/84/43/757948443.db2.gz AQSDYULZEGFJOS-VQHPVUNQSA-N 1 2 331.416 0.724 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1O ZINC001077018775 757948449 /nfs/dbraw/zinc/94/84/49/757948449.db2.gz AQSDYULZEGFJOS-VQHPVUNQSA-N 1 2 331.416 0.724 20 30 ECEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)COCC)CC2)C1 ZINC001105685791 757956610 /nfs/dbraw/zinc/95/66/10/757956610.db2.gz HEYJDRMJLKHMQY-UHFFFAOYSA-N 1 2 326.437 0.917 20 30 ECEDLO N#Cc1nccc(NC[C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)n1 ZINC001060318149 762588367 /nfs/dbraw/zinc/58/83/67/762588367.db2.gz YCEJIIABFKZRQM-AWEZNQCLSA-N 1 2 339.403 0.919 20 30 ECEDLO N#Cc1nccc(NC[C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)n1 ZINC001060318149 762588370 /nfs/dbraw/zinc/58/83/70/762588370.db2.gz YCEJIIABFKZRQM-AWEZNQCLSA-N 1 2 339.403 0.919 20 30 ECEDLO Cc1nc(N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H](O)C2)cc[nH+]1 ZINC001051650712 762588411 /nfs/dbraw/zinc/58/84/11/762588411.db2.gz KRJDHIWAGAHQNA-UONOGXRCSA-N 1 2 326.360 0.354 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C(C)(C)c3c[nH]cn3)nn2)C1 ZINC001107229100 757989992 /nfs/dbraw/zinc/98/99/92/757989992.db2.gz CDWNDNSJPHPYAI-UHFFFAOYSA-N 1 2 341.419 0.475 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCCC(=O)N(C)C)nn2)C1 ZINC001107229842 757993845 /nfs/dbraw/zinc/99/38/45/757993845.db2.gz SXMWZZSCGIRAMY-UHFFFAOYSA-N 1 2 348.451 0.586 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCc3cn(C)nn3)nn2)C1 ZINC001107241700 757998042 /nfs/dbraw/zinc/99/80/42/757998042.db2.gz CTRXKNVZHJOQIV-UHFFFAOYSA-N 1 2 344.423 0.088 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3ccn(C)n3)nn2)C1 ZINC001107234472 758016241 /nfs/dbraw/zinc/01/62/41/758016241.db2.gz DJFRJEZOVHLDOI-UHFFFAOYSA-N 1 2 345.407 0.001 20 30 ECEDLO C=CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001077065944 758078911 /nfs/dbraw/zinc/07/89/11/758078911.db2.gz CCKLRVJYJMTRQO-KBPBESRZSA-N 1 2 336.436 0.955 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001011626135 758161726 /nfs/dbraw/zinc/16/17/26/758161726.db2.gz QWUIFXMVMFTHOX-AAEUAGOBSA-N 1 2 326.360 0.502 20 30 ECEDLO C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1O ZINC001049171258 758210553 /nfs/dbraw/zinc/21/05/53/758210553.db2.gz BEMWUXKTKNSZMC-KBPBESRZSA-N 1 2 334.420 0.205 20 30 ECEDLO C[C@@H](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)NC(=O)CSCC#N ZINC001077116267 758225550 /nfs/dbraw/zinc/22/55/50/758225550.db2.gz LWNCMKRIPWWNES-QWHCGFSZSA-N 1 2 349.460 0.713 20 30 ECEDLO C[C@@H](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)NC(=O)CSCC#N ZINC001077116490 758228758 /nfs/dbraw/zinc/22/87/58/758228758.db2.gz QPQVFELXJWXFJF-STQMWFEESA-N 1 2 349.460 0.713 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4nncn4C)C[C@@H]3C2)cn1 ZINC001049177927 758233804 /nfs/dbraw/zinc/23/38/04/758233804.db2.gz VKDMOOJKBNWQLJ-GASCZTMLSA-N 1 2 336.399 0.395 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4nncn4C)C[C@@H]3C2)cn1 ZINC001049177927 758233811 /nfs/dbraw/zinc/23/38/11/758233811.db2.gz VKDMOOJKBNWQLJ-GASCZTMLSA-N 1 2 336.399 0.395 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@H+](Cc3nncn3C)C[C@@H]2C1 ZINC001049190262 758257837 /nfs/dbraw/zinc/25/78/37/758257837.db2.gz LRVGKJOXQGRUBZ-HDICACEKSA-N 1 2 349.438 0.929 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@@H+](Cc3nncn3C)C[C@@H]2C1 ZINC001049190262 758257840 /nfs/dbraw/zinc/25/78/40/758257840.db2.gz LRVGKJOXQGRUBZ-HDICACEKSA-N 1 2 349.438 0.929 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)ncn2)C[C@H]1O ZINC001077138822 758295320 /nfs/dbraw/zinc/29/53/20/758295320.db2.gz OUNITKNUUQUEHI-NVXWUHKLSA-N 1 2 341.415 0.748 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@H]1O ZINC001077138822 758295331 /nfs/dbraw/zinc/29/53/31/758295331.db2.gz OUNITKNUUQUEHI-NVXWUHKLSA-N 1 2 341.415 0.748 20 30 ECEDLO C=CCOCC(=O)N[C@@H](C)CCNC(=O)Cc1c[nH+]ccc1OC ZINC001077144889 758318549 /nfs/dbraw/zinc/31/85/49/758318549.db2.gz CSRXDFBOXZYCRQ-ZDUSSCGKSA-N 1 2 335.404 0.846 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)Cc1c[nH+]ccc1OC ZINC001077146145 758322022 /nfs/dbraw/zinc/32/20/22/758322022.db2.gz GRCAKYROMIIANB-UONOGXRCSA-N 1 2 347.415 0.682 20 30 ECEDLO N#Cc1cncc(NC/C=C\CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)n1 ZINC001107389376 758414990 /nfs/dbraw/zinc/41/49/90/758414990.db2.gz JPZQLKYXTQBEQP-UIIMQBOASA-N 1 2 337.387 0.892 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cnc[nH]c3=O)C2)s1 ZINC001077200429 758510588 /nfs/dbraw/zinc/51/05/88/758510588.db2.gz RJPDMCPDPAKYSH-CHWSQXEVSA-N 1 2 345.384 0.090 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cnc[nH]c3=O)C2)s1 ZINC001077200429 758510592 /nfs/dbraw/zinc/51/05/92/758510592.db2.gz RJPDMCPDPAKYSH-CHWSQXEVSA-N 1 2 345.384 0.090 20 30 ECEDLO COCCc1noc(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@H](C)C#N)n1 ZINC001049379952 758597523 /nfs/dbraw/zinc/59/75/23/758597523.db2.gz CDUFRQMYDYNOMZ-HZSPNIEDSA-N 1 2 347.419 0.983 20 30 ECEDLO COCCc1noc(C[N@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@H](C)C#N)n1 ZINC001049379952 758597530 /nfs/dbraw/zinc/59/75/30/758597530.db2.gz CDUFRQMYDYNOMZ-HZSPNIEDSA-N 1 2 347.419 0.983 20 30 ECEDLO N#Cc1nccnc1N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001049416959 758656297 /nfs/dbraw/zinc/65/62/97/758656297.db2.gz YKHCAAONWRVPNQ-KGLIPLIRSA-N 1 2 337.387 0.530 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001011829690 758686680 /nfs/dbraw/zinc/68/66/80/758686680.db2.gz FWOZAYHEATXUNN-IAQYHMDHSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001011829690 758686689 /nfs/dbraw/zinc/68/66/89/758686689.db2.gz FWOZAYHEATXUNN-IAQYHMDHSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001011849420 758755004 /nfs/dbraw/zinc/75/50/04/758755004.db2.gz BRFGEVHAKXZGEO-DGCLKSJQSA-N 1 2 326.360 0.502 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c(C)nc3ccnn3c2C)[C@@H](O)C1 ZINC001083586542 759110721 /nfs/dbraw/zinc/11/07/21/759110721.db2.gz ZOBHZQJCUMNPKF-KGLIPLIRSA-N 1 2 327.388 0.144 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)nc3ccnn3c2C)[C@@H](O)C1 ZINC001083586542 759110728 /nfs/dbraw/zinc/11/07/28/759110728.db2.gz ZOBHZQJCUMNPKF-KGLIPLIRSA-N 1 2 327.388 0.144 20 30 ECEDLO N#Cc1cncc(N2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)n1 ZINC001049701146 759112182 /nfs/dbraw/zinc/11/21/82/759112182.db2.gz ITDDCZPAIRHFKP-OLZOCXBDSA-N 1 2 337.387 0.599 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C)nc1 ZINC001012006015 759180558 /nfs/dbraw/zinc/18/05/58/759180558.db2.gz AUWRUTHZYQYZGU-GXTWGEPZSA-N 1 2 337.383 0.748 20 30 ECEDLO C[C@H](NC(=O)CCc1c[nH]c[nH+]1)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001050105533 759713658 /nfs/dbraw/zinc/71/36/58/759713658.db2.gz XGCZQPGKEKNVPQ-STQMWFEESA-N 1 2 349.460 0.952 20 30 ECEDLO C[C@H](NC(=O)CCc1c[nH+]c[nH]1)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001050105533 759713663 /nfs/dbraw/zinc/71/36/63/759713663.db2.gz XGCZQPGKEKNVPQ-STQMWFEESA-N 1 2 349.460 0.952 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC3(COC)CC3)C2)nn1 ZINC001098672236 759761377 /nfs/dbraw/zinc/76/13/77/759761377.db2.gz CMJGJPJUMHFNHJ-OAHLLOKOSA-N 1 2 331.420 0.591 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001012443602 760011177 /nfs/dbraw/zinc/01/11/77/760011177.db2.gz WRWYJCWHIQLDMA-YPMHNXCESA-N 1 2 326.360 0.502 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001012491014 760078310 /nfs/dbraw/zinc/07/83/10/760078310.db2.gz XXCRZEJBVWYERJ-CMPLNLGQSA-N 1 2 326.360 0.571 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001012498889 760099197 /nfs/dbraw/zinc/09/91/97/760099197.db2.gz ZXTXGTOBFMRSBM-ZWNOBZJWSA-N 1 2 326.360 0.571 20 30 ECEDLO N#Cc1cc(C(=O)NCC2=CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)c[nH]1 ZINC001017397338 767928495 /nfs/dbraw/zinc/92/84/95/767928495.db2.gz CWOONGWHMDBJTR-UHFFFAOYSA-N 1 2 338.371 0.741 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001012539244 760231256 /nfs/dbraw/zinc/23/12/56/760231256.db2.gz OSALXRXEAOHXQM-SMDDNHRTSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001050403580 760233150 /nfs/dbraw/zinc/23/31/50/760233150.db2.gz JTQJXXBQTLPAGV-WCQYABFASA-N 1 2 340.387 0.819 20 30 ECEDLO Cn1cnnc1C[NH+]1CCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)CC1 ZINC001050491831 760355164 /nfs/dbraw/zinc/35/51/64/760355164.db2.gz FKJAIOBKIXUQDS-UHFFFAOYSA-N 1 2 339.403 0.753 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nc(CC(F)(F)F)no1 ZINC001127052454 760499107 /nfs/dbraw/zinc/49/91/07/760499107.db2.gz XVCQJQUITOWHPT-VIFPVBQESA-N 1 2 334.298 0.419 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ccc(C)nn3)C2)nn1 ZINC001098673607 760499392 /nfs/dbraw/zinc/49/93/92/760499392.db2.gz SEROSCTUQOWANA-HNNXBMFYSA-N 1 2 339.403 0.577 20 30 ECEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2COCCO2)c1 ZINC001032290464 760562435 /nfs/dbraw/zinc/56/24/35/760562435.db2.gz PWSRWCWSFNGZPI-YESZJQIVSA-N 1 2 327.384 0.759 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2COCCO2)c1 ZINC001032290464 760562438 /nfs/dbraw/zinc/56/24/38/760562438.db2.gz PWSRWCWSFNGZPI-YESZJQIVSA-N 1 2 327.384 0.759 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3cc(C)n[nH]3)nn2)C1 ZINC001107134849 760578979 /nfs/dbraw/zinc/57/89/79/760578979.db2.gz GQJDTGUHJPQXCS-UHFFFAOYSA-N 1 2 345.407 0.299 20 30 ECEDLO C=CCCC(=O)N(C)[C@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@@H]1O ZINC001048530716 760668761 /nfs/dbraw/zinc/66/87/61/760668761.db2.gz LHCRCSWMYVGKRV-ILXRZTDVSA-N 1 2 334.420 0.831 20 30 ECEDLO C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@@H]1O ZINC001048530342 760668788 /nfs/dbraw/zinc/66/87/88/760668788.db2.gz CYWZUFLXFQZIEX-KKUMJFAQSA-N 1 2 346.431 0.442 20 30 ECEDLO C=CCCC(=O)N(C)[C@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1O ZINC001048540529 760685001 /nfs/dbraw/zinc/68/50/01/760685001.db2.gz WWESLKFRQWJDMH-GJZGRUSLSA-N 1 2 347.415 0.629 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H]([C@H](C)NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001050728983 760742263 /nfs/dbraw/zinc/74/22/63/760742263.db2.gz ONMSOOUXIUMJNR-GJZGRUSLSA-N 1 2 346.431 0.735 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001050735444 760755703 /nfs/dbraw/zinc/75/57/03/760755703.db2.gz KGXUEPIIMMUTSE-LSDHHAIUSA-N 1 2 346.431 0.735 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001050735444 760755709 /nfs/dbraw/zinc/75/57/09/760755709.db2.gz KGXUEPIIMMUTSE-LSDHHAIUSA-N 1 2 346.431 0.735 20 30 ECEDLO CN(C(=O)CCc1c[nH]c[nH+]1)C1CC(Nc2ccnc(C#N)n2)C1 ZINC001127091757 761158680 /nfs/dbraw/zinc/15/86/80/761158680.db2.gz AJLDCKUSFKSEHV-UHFFFAOYSA-N 1 2 325.376 0.527 20 30 ECEDLO CN(C(=O)CCc1c[nH+]c[nH]1)C1CC(Nc2ccnc(C#N)n2)C1 ZINC001127091757 761158683 /nfs/dbraw/zinc/15/86/83/761158683.db2.gz AJLDCKUSFKSEHV-UHFFFAOYSA-N 1 2 325.376 0.527 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCC=C)C[C@H]1OC ZINC001212148979 761274089 /nfs/dbraw/zinc/27/40/89/761274089.db2.gz XBMYMBUBDBPBBA-BZUAXINKSA-N 1 2 335.448 0.686 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCC=C)C[C@H]1OC ZINC001212148979 761274092 /nfs/dbraw/zinc/27/40/92/761274092.db2.gz XBMYMBUBDBPBBA-BZUAXINKSA-N 1 2 335.448 0.686 20 30 ECEDLO COCC#CCN1CC(OC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001105727702 761368582 /nfs/dbraw/zinc/36/85/82/761368582.db2.gz BRTDJAOCVYOPOJ-UHFFFAOYSA-N 1 2 346.431 0.294 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]nc1[C@H]1CCOC1 ZINC001051046223 761387780 /nfs/dbraw/zinc/38/77/80/761387780.db2.gz JVQJJKICFVBHAH-KBPBESRZSA-N 1 2 334.420 0.920 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]nc1[C@H]1CCOC1 ZINC001051046223 761387788 /nfs/dbraw/zinc/38/77/88/761387788.db2.gz JVQJJKICFVBHAH-KBPBESRZSA-N 1 2 334.420 0.920 20 30 ECEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)Cc3nnc[nH]3)CC2)C1 ZINC001105731137 761392175 /nfs/dbraw/zinc/39/21/75/761392175.db2.gz NPIDLUUFEQJKDU-UHFFFAOYSA-N 1 2 349.435 0.242 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001051113131 761511550 /nfs/dbraw/zinc/51/15/50/761511550.db2.gz UQUWZTZOVOJLBN-ZNMIVQPWSA-N 1 2 339.436 0.015 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001051113131 761511554 /nfs/dbraw/zinc/51/15/54/761511554.db2.gz UQUWZTZOVOJLBN-ZNMIVQPWSA-N 1 2 339.436 0.015 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1COCCN1Cc1c[nH+]cn1C ZINC001051161383 761587410 /nfs/dbraw/zinc/58/74/10/761587410.db2.gz FCDPLMNVOSGBAK-IKGGRYGDSA-N 1 2 348.447 0.718 20 30 ECEDLO C=CCOCCCC(=O)NC[C@@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001105772327 761686582 /nfs/dbraw/zinc/68/65/82/761686582.db2.gz ZOYRSWRZNCAXBB-GFCCVEGCSA-N 1 2 348.407 0.235 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2CC[C@H]2CCOC2)cn1 ZINC001051216291 761707143 /nfs/dbraw/zinc/70/71/43/761707143.db2.gz FNUSFOYNQLOYIH-YJBOKZPZSA-N 1 2 343.427 0.920 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2CC[C@H]2CCOC2)cn1 ZINC001051216291 761707148 /nfs/dbraw/zinc/70/71/48/761707148.db2.gz FNUSFOYNQLOYIH-YJBOKZPZSA-N 1 2 343.427 0.920 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cnn(CCOC)c1 ZINC001051228992 761724316 /nfs/dbraw/zinc/72/43/16/761724316.db2.gz SZEKRDWMSXHQNH-MRXNPFEDSA-N 1 2 336.436 0.926 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnn(CCOC)c1 ZINC001051228992 761724324 /nfs/dbraw/zinc/72/43/24/761724324.db2.gz SZEKRDWMSXHQNH-MRXNPFEDSA-N 1 2 336.436 0.926 20 30 ECEDLO Cc1ccc(C#N)c(N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)n1 ZINC001051698165 762722619 /nfs/dbraw/zinc/72/26/19/762722619.db2.gz ALGOHEUUKWDEOA-GJZGRUSLSA-N 1 2 340.387 0.214 20 30 ECEDLO N#Cc1cnc(N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)c(F)c1 ZINC001051700197 762728848 /nfs/dbraw/zinc/72/88/48/762728848.db2.gz KIEKINUMDFXHED-KBPBESRZSA-N 1 2 344.350 0.045 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(c3cc[nH+]c(C)n3)C[C@H]2O)nc1 ZINC001051713669 762770897 /nfs/dbraw/zinc/77/08/97/762770897.db2.gz UJBNXFWPPGDPQA-GOEBONIOSA-N 1 2 337.383 0.531 20 30 ECEDLO Cc1nsc(N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](O)C2)c1C#N ZINC001051716838 762784207 /nfs/dbraw/zinc/78/42/07/762784207.db2.gz BKDWVGJPMOSPBA-VXGBXAGGSA-N 1 2 346.416 0.345 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001014639324 762948617 /nfs/dbraw/zinc/94/86/17/762948617.db2.gz XMDBJMTUCULESM-OLZOCXBDSA-N 1 2 329.828 0.424 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001014639324 762948622 /nfs/dbraw/zinc/94/86/22/762948622.db2.gz XMDBJMTUCULESM-OLZOCXBDSA-N 1 2 329.828 0.424 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCO[C@@H](C[NH2+]Cc3nc(N(C)C)no3)C2)C1 ZINC001051815132 763029315 /nfs/dbraw/zinc/02/93/15/763029315.db2.gz PEKXEWBNSXQNQB-ZDUSSCGKSA-N 1 2 349.435 0.809 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCNC3=O)C2)c(F)c1 ZINC001014810491 763211395 /nfs/dbraw/zinc/21/13/95/763211395.db2.gz HMNRJAAYIQBQLP-LSDHHAIUSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCCNC3=O)C2)c(F)c1 ZINC001014810491 763211402 /nfs/dbraw/zinc/21/14/02/763211402.db2.gz HMNRJAAYIQBQLP-LSDHHAIUSA-N 1 2 344.390 0.914 20 30 ECEDLO C=CCn1cccc1C(=O)NC1C[NH+](C[C@@H]2CCc3ncnn32)C1 ZINC001030447881 763367783 /nfs/dbraw/zinc/36/77/83/763367783.db2.gz PWAQBNQABIHUEJ-AWEZNQCLSA-N 1 2 326.404 0.867 20 30 ECEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCS(C)(=O)=O ZINC001098982085 763435620 /nfs/dbraw/zinc/43/56/20/763435620.db2.gz IJDPQKPFPHGSSB-OLZOCXBDSA-N 1 2 329.466 0.797 20 30 ECEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCS(C)(=O)=O ZINC001098982085 763435630 /nfs/dbraw/zinc/43/56/30/763435630.db2.gz IJDPQKPFPHGSSB-OLZOCXBDSA-N 1 2 329.466 0.797 20 30 ECEDLO C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)O1 ZINC001014925066 763466011 /nfs/dbraw/zinc/46/60/11/763466011.db2.gz OBAYJDRBQSFJFE-FHLIZLRMSA-N 1 2 342.443 0.968 20 30 ECEDLO C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)O1 ZINC001014925066 763466018 /nfs/dbraw/zinc/46/60/18/763466018.db2.gz OBAYJDRBQSFJFE-FHLIZLRMSA-N 1 2 342.443 0.968 20 30 ECEDLO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCc3n[nH]nc32)C1 ZINC001046972990 763492762 /nfs/dbraw/zinc/49/27/62/763492762.db2.gz WZEADEIOQRIDRL-NEPJUHHUSA-N 1 2 337.374 0.931 20 30 ECEDLO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCc3n[nH]nc32)C1 ZINC001046972990 763492767 /nfs/dbraw/zinc/49/27/67/763492767.db2.gz WZEADEIOQRIDRL-NEPJUHHUSA-N 1 2 337.374 0.931 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)Cn3cccn3)C2)CC1 ZINC001051982276 763511543 /nfs/dbraw/zinc/51/15/43/763511543.db2.gz CGEBRIUTTCVDAA-HNNXBMFYSA-N 1 2 337.855 0.854 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)CCn3cccn3)C2)CC1 ZINC001051986568 763519971 /nfs/dbraw/zinc/51/99/71/763519971.db2.gz IEWLHOLLUXSXIS-KRWDZBQOSA-N 1 2 329.448 0.515 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cnn(C)c3)C2)CC1 ZINC001051995970 763544322 /nfs/dbraw/zinc/54/43/22/763544322.db2.gz HVODPDRIEOGOKT-QGZVFWFLSA-N 1 2 329.448 0.204 20 30 ECEDLO Cc1nnc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)o1 ZINC001051998192 763550276 /nfs/dbraw/zinc/55/02/76/763550276.db2.gz OVOBRRHORCTDOF-JSGCOSHPSA-N 1 2 332.408 0.256 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(Cc3cccnc3)CC2)C1 ZINC001051998586 763551348 /nfs/dbraw/zinc/55/13/48/763551348.db2.gz VYHJMOYCTUOJGU-RDJZCZTQSA-N 1 2 327.432 0.960 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)CC1 ZINC001052013253 763584644 /nfs/dbraw/zinc/58/46/44/763584644.db2.gz UGIZQCDUPWVPRD-KRWDZBQOSA-N 1 2 325.416 0.742 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)[C@H]1C ZINC001088847872 763616708 /nfs/dbraw/zinc/61/67/08/763616708.db2.gz RDUUPXHVIPRXGH-SCZZXKLOSA-N 1 2 347.828 0.002 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2S(N)(=O)=O)[C@H]1C ZINC001088847872 763616712 /nfs/dbraw/zinc/61/67/12/763616712.db2.gz RDUUPXHVIPRXGH-SCZZXKLOSA-N 1 2 347.828 0.002 20 30 ECEDLO Cc1nnc(CN2CC[NH+]([C@@H]3CCN(C(=O)C#CC4CC4)C3)CC2)[nH]1 ZINC001052026036 763617283 /nfs/dbraw/zinc/61/72/83/763617283.db2.gz MQOOISROKVUUCR-MRXNPFEDSA-N 1 2 342.447 0.245 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C3(c4ccccn4)CC3)C2)CC1 ZINC001052026175 763619083 /nfs/dbraw/zinc/61/90/83/763619083.db2.gz BINFGXPSISCLAS-QGZVFWFLSA-N 1 2 338.455 0.965 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)CO[C@H]3CCOC3)C2)CC1 ZINC001052026798 763619453 /nfs/dbraw/zinc/61/94/53/763619453.db2.gz TVHPSGODQMCFAW-IRXDYDNUSA-N 1 2 337.464 0.587 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)Cn3cccc(C)c3=O)C2)CC1 ZINC001052028495 763624131 /nfs/dbraw/zinc/62/41/31/763624131.db2.gz PVZDCCXVKUDAPN-KRWDZBQOSA-N 1 2 342.443 0.008 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cccc4n[nH]nc43)C2)CC1 ZINC001052031158 763631912 /nfs/dbraw/zinc/63/19/12/763631912.db2.gz GPQSMNFDWIETLK-ZDUSSCGKSA-N 1 2 339.403 0.314 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccnc4ccnn43)C2)CC1 ZINC001052035401 763642255 /nfs/dbraw/zinc/64/22/55/763642255.db2.gz CGRSEEMQDVMZCJ-HNNXBMFYSA-N 1 2 338.415 0.195 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3c(F)cncc3F)C2)CC1 ZINC001052036039 763646510 /nfs/dbraw/zinc/64/65/10/763646510.db2.gz XNSFCPIUDBJUIS-ZDUSSCGKSA-N 1 2 334.370 0.825 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c(F)cncc3F)C2)CC1 ZINC001052036039 763646515 /nfs/dbraw/zinc/64/65/15/763646515.db2.gz XNSFCPIUDBJUIS-ZDUSSCGKSA-N 1 2 334.370 0.825 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3c[nH]c(=O)cn3)C2)cc1F ZINC001031934044 763665247 /nfs/dbraw/zinc/66/52/47/763665247.db2.gz YELOYWHJYCDWNI-UHFFFAOYSA-N 1 2 341.346 0.642 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ncnc4[nH]ccc43)C2)CC1 ZINC001052047241 763689708 /nfs/dbraw/zinc/68/97/08/763689708.db2.gz JUDKFLDOLCVYEM-CQSZACIVSA-N 1 2 338.415 0.375 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccc4ncnn43)C2)CC1 ZINC001052047561 763691545 /nfs/dbraw/zinc/69/15/45/763691545.db2.gz QVLJCZPGWWKDKD-CQSZACIVSA-N 1 2 339.403 0.085 20 30 ECEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@H]2CCc3c[nH+]cn3C2)cn1 ZINC001106015404 763716419 /nfs/dbraw/zinc/71/64/19/763716419.db2.gz IVMMFIRNGJRGDH-BLLLJJGKSA-N 1 2 340.387 0.301 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001015036351 763719694 /nfs/dbraw/zinc/71/96/94/763719694.db2.gz QMCFVQZMKOAWKG-TZMCWYRMSA-N 1 2 340.387 0.892 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN([C@@H]3CCNC3=O)CC2)C1 ZINC001052060189 763740152 /nfs/dbraw/zinc/74/01/52/763740152.db2.gz ZIFHJBJALSMOPI-HZPDHXFCSA-N 1 2 348.491 0.696 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001015045983 763746223 /nfs/dbraw/zinc/74/62/23/763746223.db2.gz XNSPMPFYKCKKQL-GDBMZVCRSA-N 1 2 326.400 0.775 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001015045983 763746230 /nfs/dbraw/zinc/74/62/30/763746230.db2.gz XNSPMPFYKCKKQL-GDBMZVCRSA-N 1 2 326.400 0.775 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCc4cccnc43)C2)CC1 ZINC001052068629 763762902 /nfs/dbraw/zinc/76/29/02/763762902.db2.gz LLAVPPHXKDELBF-QZTJIDSGSA-N 1 2 338.455 0.963 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@]3(C)CCC(=O)NC3)C2)CC1 ZINC001052069212 763764644 /nfs/dbraw/zinc/76/46/44/763764644.db2.gz UAOLIOPSFVWDCY-VQIMIIECSA-N 1 2 346.475 0.145 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@H](N3CC[NH+]([C@H](CC)C(N)=O)CC3)C2)C1 ZINC001052082145 763801240 /nfs/dbraw/zinc/80/12/40/763801240.db2.gz RBNYDRSEXCQBMI-JKSUJKDBSA-N 1 2 348.491 0.825 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@H]([NH+]3CCN([C@H](CC)C(N)=O)CC3)C2)C1 ZINC001052082145 763801249 /nfs/dbraw/zinc/80/12/49/763801249.db2.gz RBNYDRSEXCQBMI-JKSUJKDBSA-N 1 2 348.491 0.825 20 30 ECEDLO CCCn1cc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)cn1 ZINC001052090220 763826847 /nfs/dbraw/zinc/82/68/47/763826847.db2.gz YNWXZPJXQOSBCL-INIZCTEOSA-N 1 2 330.436 0.649 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CCC(C)CC3)C2)CC1 ZINC001052092799 763834758 /nfs/dbraw/zinc/83/47/58/763834758.db2.gz DQBOLGFGWLNUQV-KRWDZBQOSA-N 1 2 346.475 0.097 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)C(=O)N3CCC(C)CC3)C2)CC1 ZINC001052092799 763834764 /nfs/dbraw/zinc/83/47/64/763834764.db2.gz DQBOLGFGWLNUQV-KRWDZBQOSA-N 1 2 346.475 0.097 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]([NH+]3CCN(CC=C)CC3)C2)nn1 ZINC001052093603 763838034 /nfs/dbraw/zinc/83/80/34/763838034.db2.gz RPRSOORWCMQNLD-HNNXBMFYSA-N 1 2 330.436 0.482 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(C)nn(C)c3OC)C2)CC1 ZINC001052094475 763839464 /nfs/dbraw/zinc/83/94/64/763839464.db2.gz UCSILRLKAHEGLK-OAHLLOKOSA-N 1 2 345.447 0.202 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c(C)nn(C)c3OC)C2)CC1 ZINC001052094475 763839468 /nfs/dbraw/zinc/83/94/68/763839468.db2.gz UCSILRLKAHEGLK-OAHLLOKOSA-N 1 2 345.447 0.202 20 30 ECEDLO C#Cc1cncc(C(=O)NCC2C[NH+](CC(=O)N(C)C3CC3)C2)c1 ZINC001031965913 763839510 /nfs/dbraw/zinc/83/95/10/763839510.db2.gz XKBXPYJYJGHKRW-UHFFFAOYSA-N 1 2 326.400 0.345 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCN(CCO)CC2)C1 ZINC001052096129 763846635 /nfs/dbraw/zinc/84/66/35/763846635.db2.gz FKIOEAHMWSQCTK-ULQDDVLXSA-N 1 2 337.464 0.178 20 30 ECEDLO CCCn1cc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)nn1 ZINC001052101951 763865580 /nfs/dbraw/zinc/86/55/80/763865580.db2.gz ARGBYLHELTUZLR-AWEZNQCLSA-N 1 2 331.424 0.044 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn4c3CCCC4)C2)CC1 ZINC001052105177 763875549 /nfs/dbraw/zinc/87/55/49/763875549.db2.gz GUZAISLTEXSPHZ-OAHLLOKOSA-N 1 2 342.447 0.575 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc4nccn4c3)C2)CC1 ZINC001052105610 763877013 /nfs/dbraw/zinc/87/70/13/763877013.db2.gz MLVDASKXRAREFF-MRXNPFEDSA-N 1 2 338.415 0.690 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#CC)CC3)C2)nc1 ZINC001052107655 763887178 /nfs/dbraw/zinc/88/71/78/763887178.db2.gz GWXUWYANJRKSCO-GOSISDBHSA-N 1 2 336.439 0.918 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](N3CC[NH+](CC#CC)CC3)C2)nc1 ZINC001052107655 763887187 /nfs/dbraw/zinc/88/71/87/763887187.db2.gz GWXUWYANJRKSCO-GOSISDBHSA-N 1 2 336.439 0.918 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C3CCN(C(C)=O)CC3)C2)CC1 ZINC001052116946 763925767 /nfs/dbraw/zinc/92/57/67/763925767.db2.gz BUUXKLHYQZSSII-GOSISDBHSA-N 1 2 346.475 0.097 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](CC)N3CCCC3=O)C2)CC1 ZINC001052120127 763938300 /nfs/dbraw/zinc/93/83/00/763938300.db2.gz ZABOUUZIIJJNDQ-SJORKVTESA-N 1 2 346.475 0.239 20 30 ECEDLO N#CCSCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1)C2 ZINC001047340503 764051684 /nfs/dbraw/zinc/05/16/84/764051684.db2.gz HNESRZPVNAERNV-IHRRRGAJSA-N 1 2 347.444 0.636 20 30 ECEDLO Cc1ncc(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001047353503 764088650 /nfs/dbraw/zinc/08/86/50/764088650.db2.gz CQBYSTNXYZUGMZ-GJZGRUSLSA-N 1 2 329.360 0.500 20 30 ECEDLO Cc1ncc(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001047353503 764088661 /nfs/dbraw/zinc/08/86/61/764088661.db2.gz CQBYSTNXYZUGMZ-GJZGRUSLSA-N 1 2 329.360 0.500 20 30 ECEDLO C=CC(C)(C)C(=O)NC[C@H](O)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001106051173 764119367 /nfs/dbraw/zinc/11/93/67/764119367.db2.gz BKBDXSNTVDUZFI-GFCCVEGCSA-N 1 2 333.436 0.566 20 30 ECEDLO C=CC(C)(C)C(=O)NC[C@H](O)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106051173 764119372 /nfs/dbraw/zinc/11/93/72/764119372.db2.gz BKBDXSNTVDUZFI-GFCCVEGCSA-N 1 2 333.436 0.566 20 30 ECEDLO CN(C(=O)c1cn(C)nn1)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047367370 764131659 /nfs/dbraw/zinc/13/16/59/764131659.db2.gz ISEDFBDZOKPVIR-KBPBESRZSA-N 1 2 346.416 0.066 20 30 ECEDLO CN(C(=O)c1cn(C)nn1)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047367370 764131663 /nfs/dbraw/zinc/13/16/63/764131663.db2.gz ISEDFBDZOKPVIR-KBPBESRZSA-N 1 2 346.416 0.066 20 30 ECEDLO C[C@H](c1nnnn1C)[N@@H+]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001052289730 764200997 /nfs/dbraw/zinc/20/09/97/764200997.db2.gz DTWRWABDZZXDIL-YPMHNXCESA-N 1 2 342.407 0.755 20 30 ECEDLO C[C@H](c1nnnn1C)[N@H+]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001052289730 764201004 /nfs/dbraw/zinc/20/10/04/764201004.db2.gz DTWRWABDZZXDIL-YPMHNXCESA-N 1 2 342.407 0.755 20 30 ECEDLO C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC001047407096 764247501 /nfs/dbraw/zinc/24/75/01/764247501.db2.gz ZBLSAAGPPYSMIN-KKUMJFAQSA-N 1 2 344.477 0.423 20 30 ECEDLO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC001047407096 764247506 /nfs/dbraw/zinc/24/75/06/764247506.db2.gz ZBLSAAGPPYSMIN-KKUMJFAQSA-N 1 2 344.477 0.423 20 30 ECEDLO C=CCn1cccc1C(=O)N(C)[C@H]1C[N@H+](Cc2cncn2C)C[C@@H]1O ZINC001047408853 764254096 /nfs/dbraw/zinc/25/40/96/764254096.db2.gz GJINDGCHQKNCSF-IRXDYDNUSA-N 1 2 343.431 0.725 20 30 ECEDLO C=CCn1cccc1C(=O)N(C)[C@H]1C[N@@H+](Cc2cncn2C)C[C@@H]1O ZINC001047408853 764254100 /nfs/dbraw/zinc/25/41/00/764254100.db2.gz GJINDGCHQKNCSF-IRXDYDNUSA-N 1 2 343.431 0.725 20 30 ECEDLO C=CCn1cccc1C(=O)N(C)[C@H]1CN(Cc2c[nH+]cn2C)C[C@@H]1O ZINC001047408853 764254105 /nfs/dbraw/zinc/25/41/05/764254105.db2.gz GJINDGCHQKNCSF-IRXDYDNUSA-N 1 2 343.431 0.725 20 30 ECEDLO CN(CCOCCNc1ccncc1C#N)C(=O)Cn1cc[nH+]c1 ZINC001127328686 768200947 /nfs/dbraw/zinc/20/09/47/768200947.db2.gz IKXVDZDYDZURRY-UHFFFAOYSA-N 1 2 328.376 0.159 20 30 ECEDLO C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1CN(c1ccnc(C#N)n1)C2 ZINC001052380801 764371998 /nfs/dbraw/zinc/37/19/98/764371998.db2.gz WJFCHKXJTALEQM-DYVFJYSZSA-N 1 2 337.387 0.530 20 30 ECEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001052385095 764384852 /nfs/dbraw/zinc/38/48/52/764384852.db2.gz QOZHSZQFWOQFKA-NEPJUHHUSA-N 1 2 340.387 0.676 20 30 ECEDLO CN(CCOCCNc1ccc(C#N)nn1)C(=O)Cn1cc[nH+]c1 ZINC001127329197 768209856 /nfs/dbraw/zinc/20/98/56/768209856.db2.gz VQXHCONEFBTHIN-UHFFFAOYSA-N 1 2 329.364 0.132 20 30 ECEDLO C#CCOCCC(=O)NC[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC001052471194 764573392 /nfs/dbraw/zinc/57/33/92/764573392.db2.gz HVRRWLIYPJZHCT-GJZGRUSLSA-N 1 2 346.431 0.593 20 30 ECEDLO C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C)CCCS2(=O)=O)C1 ZINC001047560140 764693872 /nfs/dbraw/zinc/69/38/72/764693872.db2.gz ALYBMQCQVQJMSN-KCQAQPDRSA-N 1 2 330.450 0.033 20 30 ECEDLO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C)CCCS2(=O)=O)C1 ZINC001047560140 764693878 /nfs/dbraw/zinc/69/38/78/764693878.db2.gz ALYBMQCQVQJMSN-KCQAQPDRSA-N 1 2 330.450 0.033 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001047588364 764790531 /nfs/dbraw/zinc/79/05/31/764790531.db2.gz KIQLZFNNNXSKNI-ILXRZTDVSA-N 1 2 344.477 0.281 20 30 ECEDLO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001047588364 764790539 /nfs/dbraw/zinc/79/05/39/764790539.db2.gz KIQLZFNNNXSKNI-ILXRZTDVSA-N 1 2 344.477 0.281 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2C(=O)N(C)C)C1 ZINC001047599547 764837886 /nfs/dbraw/zinc/83/78/86/764837886.db2.gz YPKAKFYSJCPYRM-HOTGVXAUSA-N 1 2 329.400 0.139 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2C(=O)N(C)C)C1 ZINC001047599547 764837889 /nfs/dbraw/zinc/83/78/89/764837889.db2.gz YPKAKFYSJCPYRM-HOTGVXAUSA-N 1 2 329.400 0.139 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cn3ccnc3C)[C@H]2C)C1=O ZINC001089041314 764867282 /nfs/dbraw/zinc/86/72/82/764867282.db2.gz OVPDGBYQQBYVCH-KBMXLJTQSA-N 1 2 345.447 0.557 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cn3ccnc3C)[C@H]2C)C1=O ZINC001089041314 764867289 /nfs/dbraw/zinc/86/72/89/764867289.db2.gz OVPDGBYQQBYVCH-KBMXLJTQSA-N 1 2 345.447 0.557 20 30 ECEDLO CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2nc(C)cc(C#N)n2)C1 ZINC001052714245 765033899 /nfs/dbraw/zinc/03/38/99/765033899.db2.gz KMSRBGBNMADMRK-ZIAGYGMSSA-N 1 2 325.376 0.817 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3nnc(C)o3)CC2)nn1 ZINC001052774639 765096936 /nfs/dbraw/zinc/09/69/36/765096936.db2.gz FONKWOICRRZPBJ-CYBMUJFWSA-N 1 2 345.407 0.940 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3nnc(C)o3)CC2)nn1 ZINC001052774639 765096946 /nfs/dbraw/zinc/09/69/46/765096946.db2.gz FONKWOICRRZPBJ-CYBMUJFWSA-N 1 2 345.407 0.940 20 30 ECEDLO C=CCCn1cc(C(=O)NC2CN(C(=O)CCc3c[nH]c[nH+]3)C2)nn1 ZINC000991997623 765104839 /nfs/dbraw/zinc/10/48/39/765104839.db2.gz DVTGVUXVESSHSO-UHFFFAOYSA-N 1 2 343.391 0.151 20 30 ECEDLO C=CCCn1cc(C(=O)NC2CN(C(=O)CCc3c[nH+]c[nH]3)C2)nn1 ZINC000991997623 765104840 /nfs/dbraw/zinc/10/48/40/765104840.db2.gz DVTGVUXVESSHSO-UHFFFAOYSA-N 1 2 343.391 0.151 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001052865502 765250499 /nfs/dbraw/zinc/25/04/99/765250499.db2.gz AGTQAHTWSUKVQJ-HUUCEWRRSA-N 1 2 332.404 0.134 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3nnnn3C)CC2)nc1 ZINC001052876463 765278201 /nfs/dbraw/zinc/27/82/01/765278201.db2.gz WZTALALSMSUTJL-CQSZACIVSA-N 1 2 339.403 0.371 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3nnnn3C)CC2)nc1 ZINC001052876463 765278207 /nfs/dbraw/zinc/27/82/07/765278207.db2.gz WZTALALSMSUTJL-CQSZACIVSA-N 1 2 339.403 0.371 20 30 ECEDLO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCCc3[nH]ncc32)C1=O ZINC001127338317 768288586 /nfs/dbraw/zinc/28/85/86/768288586.db2.gz CTNIGXXKMPMJOO-IUODEOHRSA-N 1 2 331.420 0.322 20 30 ECEDLO C#CCOCCC(=O)NC[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001053073163 765546829 /nfs/dbraw/zinc/54/68/29/765546829.db2.gz HSRPMZCCFXALSI-HOTGVXAUSA-N 1 2 346.431 0.524 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cnoc3C)C[C@H]2O)cc1 ZINC001077493603 765584893 /nfs/dbraw/zinc/58/48/93/765584893.db2.gz CMIKEPAGVUMKID-IAGOWNOFSA-N 1 2 325.368 0.939 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cnoc3C)C[C@H]2O)cc1 ZINC001077493603 765584898 /nfs/dbraw/zinc/58/48/98/765584898.db2.gz CMIKEPAGVUMKID-IAGOWNOFSA-N 1 2 325.368 0.939 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@H](CNC(=O)CSCC#N)C1 ZINC001053110009 765591852 /nfs/dbraw/zinc/59/18/52/765591852.db2.gz XBBPOHFUAXWYSO-WCQYABFASA-N 1 2 349.460 0.728 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(CC)C3=O)C[C@H]2O)cc1 ZINC001077494030 765593476 /nfs/dbraw/zinc/59/34/76/765593476.db2.gz XEOWNHDOIBMWTL-IXDOHACOSA-N 1 2 341.411 0.064 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(CC)C3=O)C[C@H]2O)cc1 ZINC001077494030 765593480 /nfs/dbraw/zinc/59/34/80/765593480.db2.gz XEOWNHDOIBMWTL-IXDOHACOSA-N 1 2 341.411 0.064 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C3CC3)C2)nc1 ZINC001016025505 765728622 /nfs/dbraw/zinc/72/86/22/765728622.db2.gz YFDIBQGUXSKPGG-AWEZNQCLSA-N 1 2 326.400 0.488 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)C2)nc1 ZINC001016025505 765728629 /nfs/dbraw/zinc/72/86/29/765728629.db2.gz YFDIBQGUXSKPGG-AWEZNQCLSA-N 1 2 326.400 0.488 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)C2)cn1 ZINC001016029221 765732401 /nfs/dbraw/zinc/73/24/01/765732401.db2.gz DHJONSSFWQDMCQ-CJNGLKHVSA-N 1 2 347.440 0.302 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)C2)cn1 ZINC001016029221 765732405 /nfs/dbraw/zinc/73/24/05/765732405.db2.gz DHJONSSFWQDMCQ-CJNGLKHVSA-N 1 2 347.440 0.302 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccnc(OC)n3)C2)cn1 ZINC001016032127 765733959 /nfs/dbraw/zinc/73/39/59/765733959.db2.gz VYXFAEKUSJBHSF-INIZCTEOSA-N 1 2 337.383 0.866 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccnc(OC)n3)C2)cn1 ZINC001016032127 765733963 /nfs/dbraw/zinc/73/39/63/765733963.db2.gz VYXFAEKUSJBHSF-INIZCTEOSA-N 1 2 337.383 0.866 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)c(F)c1 ZINC001016031442 765734270 /nfs/dbraw/zinc/73/42/70/765734270.db2.gz PJSWCPHDQZJWAX-ZFWWWQNUSA-N 1 2 330.363 0.666 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)c(F)c1 ZINC001016031442 765734278 /nfs/dbraw/zinc/73/42/78/765734278.db2.gz PJSWCPHDQZJWAX-ZFWWWQNUSA-N 1 2 330.363 0.666 20 30 ECEDLO N#Cc1nccnc1NC[C@@H](O)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001106104486 765750638 /nfs/dbraw/zinc/75/06/38/765750638.db2.gz MOZIMRAJCVIGEJ-GHMZBOCLSA-N 1 2 341.375 0.080 20 30 ECEDLO CC[C@@H](C[NH+]1CC2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2)OC ZINC001053210733 765768315 /nfs/dbraw/zinc/76/83/15/765768315.db2.gz NKZFKRKTOMYLRD-AWEZNQCLSA-N 1 2 332.404 0.838 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cn(CCOC)nc1C)CCO2 ZINC001053257568 765855746 /nfs/dbraw/zinc/85/57/46/765855746.db2.gz RGJMQXSCULUYDP-UHFFFAOYSA-N 1 2 348.447 0.941 20 30 ECEDLO C#CCCN1CC2(C1)CN(C(=O)C(C)(C)n1c[nH+]c(C)c1)CCO2 ZINC001053304176 765939589 /nfs/dbraw/zinc/93/95/89/765939589.db2.gz FDIFKDREXPSCMH-UHFFFAOYSA-N 1 2 330.432 0.863 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1CCCCC(=O)N1)CCO2 ZINC001053517308 766268965 /nfs/dbraw/zinc/26/89/65/766268965.db2.gz NRKNMXQPXBDFDZ-HNNXBMFYSA-N 1 2 335.448 0.925 20 30 ECEDLO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1)N1CCOCC1 ZINC001016437364 766300378 /nfs/dbraw/zinc/30/03/78/766300378.db2.gz NPMKYBPJEFKKHH-MAUKXSAKSA-N 1 2 342.443 0.969 20 30 ECEDLO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1)N1CCOCC1 ZINC001016437364 766300386 /nfs/dbraw/zinc/30/03/86/766300386.db2.gz NPMKYBPJEFKKHH-MAUKXSAKSA-N 1 2 342.443 0.969 20 30 ECEDLO C=CCCC1(C(=O)NCC2(O)CN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001045784402 766367478 /nfs/dbraw/zinc/36/74/78/766367478.db2.gz AVARGBXHDCHBOJ-UHFFFAOYSA-N 1 2 332.404 0.319 20 30 ECEDLO CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C1 ZINC001212249119 766367728 /nfs/dbraw/zinc/36/77/28/766367728.db2.gz XWUFWMWRAVHAKE-RBSFLKMASA-N 1 2 337.464 0.895 20 30 ECEDLO CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C1 ZINC001212249119 766367735 /nfs/dbraw/zinc/36/77/35/766367735.db2.gz XWUFWMWRAVHAKE-RBSFLKMASA-N 1 2 337.464 0.895 20 30 ECEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001031661752 766378255 /nfs/dbraw/zinc/37/82/55/766378255.db2.gz HCZQFYSYIIZJLH-UKRRQHHQSA-N 1 2 332.335 0.911 20 30 ECEDLO O=C(Cc1cnoc1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077555479 766403001 /nfs/dbraw/zinc/40/30/01/766403001.db2.gz QFYGTZDYWNFOBA-IAGOWNOFSA-N 1 2 325.368 0.430 20 30 ECEDLO O=C(Cc1cnoc1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077555479 766403004 /nfs/dbraw/zinc/40/30/04/766403004.db2.gz QFYGTZDYWNFOBA-IAGOWNOFSA-N 1 2 325.368 0.430 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccn(CCOC)n1)O2 ZINC001053631220 766479518 /nfs/dbraw/zinc/47/95/18/766479518.db2.gz UIQYKZOWAJGFKY-AWEZNQCLSA-N 1 2 334.420 0.679 20 30 ECEDLO CCC(CC)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 ZINC001212253403 766498648 /nfs/dbraw/zinc/49/86/48/766498648.db2.gz FFAMRYHNNUTLEO-KBRIMQKVSA-N 1 2 349.475 0.909 20 30 ECEDLO CCC(CC)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 ZINC001212253403 766498653 /nfs/dbraw/zinc/49/86/53/766498653.db2.gz FFAMRYHNNUTLEO-KBRIMQKVSA-N 1 2 349.475 0.909 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c[nH]c(=O)cc1OC)O2 ZINC001053660819 766532102 /nfs/dbraw/zinc/53/21/02/766532102.db2.gz PYKKFEVYKMKFBL-GFCCVEGCSA-N 1 2 333.388 0.945 20 30 ECEDLO N#CCN1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCc3[nH+]c[nH]c31)O2 ZINC001053662173 766533580 /nfs/dbraw/zinc/53/35/80/766533580.db2.gz DVFXSEWPXKUBAA-OLZOCXBDSA-N 1 2 329.404 0.703 20 30 ECEDLO Cn1cnnc1C[NH+]1CCC2(C[C@@H]2NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001016586982 766545221 /nfs/dbraw/zinc/54/52/21/766545221.db2.gz JMNIBRUEFMHCIP-AWEZNQCLSA-N 1 2 339.403 0.799 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)s2)C[C@H]1OC ZINC001212255070 766545422 /nfs/dbraw/zinc/54/54/22/766545422.db2.gz BYDPMKKNCASLQI-NILFDRSVSA-N 1 2 337.445 0.805 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cnc(C)s2)C[C@H]1OC ZINC001212255070 766545427 /nfs/dbraw/zinc/54/54/27/766545427.db2.gz BYDPMKKNCASLQI-NILFDRSVSA-N 1 2 337.445 0.805 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)n2)C[C@H]1OC ZINC001212256028 766561548 /nfs/dbraw/zinc/56/15/48/766561548.db2.gz SVGPCFAOFGKBKQ-NUEKZKHPSA-N 1 2 347.415 0.444 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)n2)C[C@H]1OC ZINC001212256028 766561551 /nfs/dbraw/zinc/56/15/51/766561551.db2.gz SVGPCFAOFGKBKQ-NUEKZKHPSA-N 1 2 347.415 0.444 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCCN(C)C1=O)O2 ZINC001053685930 766584871 /nfs/dbraw/zinc/58/48/71/766584871.db2.gz BWUKYPWDJAVQAR-HUUCEWRRSA-N 1 2 335.448 0.781 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(N(C)C)nn1)O2 ZINC001053686039 766586366 /nfs/dbraw/zinc/58/63/66/766586366.db2.gz FGAALAGFIOOVTG-ZDUSSCGKSA-N 1 2 331.420 0.692 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCN(C(C)=O)C1)O2 ZINC001053689937 766595548 /nfs/dbraw/zinc/59/55/48/766595548.db2.gz FWFZWDDSEVXNOK-HZPDHXFCSA-N 1 2 335.448 0.781 20 30 ECEDLO Cc1cc(NC[C@H](O)CNC(=O)C[C@H](C)n2cc[nH+]c2)c(C#N)cn1 ZINC001106131864 766597044 /nfs/dbraw/zinc/59/70/44/766597044.db2.gz LVWPXBHSVBEPRF-ZFWWWQNUSA-N 1 2 342.403 0.420 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1CCN(C(N)=O)CC1)O2 ZINC001053697138 766610782 /nfs/dbraw/zinc/61/07/82/766610782.db2.gz WQXONMNJSTWTEX-AWEZNQCLSA-N 1 2 336.436 0.313 20 30 ECEDLO CCn1ccnc1C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001046011751 766637387 /nfs/dbraw/zinc/63/73/87/766637387.db2.gz HBJUDFZIAKZZEP-HZPDHXFCSA-N 1 2 344.463 0.781 20 30 ECEDLO CCn1ccnc1C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001046011751 766637390 /nfs/dbraw/zinc/63/73/90/766637390.db2.gz HBJUDFZIAKZZEP-HZPDHXFCSA-N 1 2 344.463 0.781 20 30 ECEDLO C=CCOCC(=O)NC[C@@H](C)N(CC)c1ncnc2c1C[N@H+](C)CC2 ZINC001089618960 766671872 /nfs/dbraw/zinc/67/18/72/766671872.db2.gz VUIPCXPBGPFJAM-CQSZACIVSA-N 1 2 347.463 0.998 20 30 ECEDLO C=CCOCC(=O)NC[C@@H](C)N(CC)c1ncnc2c1C[N@@H+](C)CC2 ZINC001089618960 766671879 /nfs/dbraw/zinc/67/18/79/766671879.db2.gz VUIPCXPBGPFJAM-CQSZACIVSA-N 1 2 347.463 0.998 20 30 ECEDLO CN1C[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)CC1=O ZINC001031712469 766705422 /nfs/dbraw/zinc/70/54/22/766705422.db2.gz ZVIFJLDRDKFGJA-HNNXBMFYSA-N 1 2 344.390 0.724 20 30 ECEDLO C#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cccc4nn[nH]c43)CC2)C1 ZINC001046033691 766709927 /nfs/dbraw/zinc/70/99/27/766709927.db2.gz YXSPURNKVQNGCO-AWEZNQCLSA-N 1 2 338.415 0.423 20 30 ECEDLO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cccc4nn[nH]c43)CC2)C1 ZINC001046033691 766709931 /nfs/dbraw/zinc/70/99/31/766709931.db2.gz YXSPURNKVQNGCO-AWEZNQCLSA-N 1 2 338.415 0.423 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cc4n(n3)CCC4)CC2)C1 ZINC001046034743 766716402 /nfs/dbraw/zinc/71/64/02/766716402.db2.gz ZPAHHLCJCPONCK-OAHLLOKOSA-N 1 2 328.420 0.185 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cc4c([nH]3)CCOC4)CC2)C1 ZINC001046035944 766723734 /nfs/dbraw/zinc/72/37/34/766723734.db2.gz XAUKQAOOHCVFJL-OAHLLOKOSA-N 1 2 343.431 0.443 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)C1 ZINC001046037060 766731373 /nfs/dbraw/zinc/73/13/73/766731373.db2.gz KOKCTIHIRRQXBU-INIZCTEOSA-N 1 2 342.447 0.575 20 30 ECEDLO CCc1nn(C)cc1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046037711 766734840 /nfs/dbraw/zinc/73/48/40/766734840.db2.gz WSEFONGVSVDYJH-CQSZACIVSA-N 1 2 330.436 0.338 20 30 ECEDLO CC(C)c1n[nH]cc1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046040695 766748263 /nfs/dbraw/zinc/74/82/63/766748263.db2.gz HIEYNKXESXUSMI-CQSZACIVSA-N 1 2 330.436 0.889 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3Cc4ccccc4O3)CC2)C1 ZINC001046041405 766751536 /nfs/dbraw/zinc/75/15/36/766751536.db2.gz IIDJDDUQEHSLLT-AEFFLSMTSA-N 1 2 340.427 0.732 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](OC)C3CCCC3)C2)nn1 ZINC001098779483 766761103 /nfs/dbraw/zinc/76/11/03/766761103.db2.gz HMJVVKOXXZKDAF-SJORKVTESA-N 1 2 345.447 0.980 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ns2)C[C@H]1OC ZINC001212265061 766767095 /nfs/dbraw/zinc/76/70/95/766767095.db2.gz YLXPUXOWBFPTJE-BPLDGKMQSA-N 1 2 337.445 0.805 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(C)ns2)C[C@H]1OC ZINC001212265061 766767098 /nfs/dbraw/zinc/76/70/98/766767098.db2.gz YLXPUXOWBFPTJE-BPLDGKMQSA-N 1 2 337.445 0.805 20 30 ECEDLO COc1ccc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)cn1 ZINC001046045519 766771419 /nfs/dbraw/zinc/77/14/19/766771419.db2.gz YWTWGCOYLJHCGE-HNNXBMFYSA-N 1 2 329.404 0.446 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cccc4[nH]ncc43)CC2)C1 ZINC001046050309 766787352 /nfs/dbraw/zinc/78/73/52/766787352.db2.gz KHWOROKQRJQEDP-CQSZACIVSA-N 1 2 338.415 0.919 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cc(C(F)F)n[nH]3)CC2)C1 ZINC001046060825 766828555 /nfs/dbraw/zinc/82/85/55/766828555.db2.gz DOQMATUWFNIVKN-NSHDSACASA-N 1 2 338.362 0.703 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cn(CC4CC4)nn3)CC2)C1 ZINC001046075040 766894169 /nfs/dbraw/zinc/89/41/69/766894169.db2.gz NOZCEUDAZKPIBA-HNNXBMFYSA-N 1 2 343.435 0.044 20 30 ECEDLO Cc1nc(NC[C@@H](O)CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)ccc1C#N ZINC001106135175 766900464 /nfs/dbraw/zinc/90/04/64/766900464.db2.gz NXEOEBUQSDMTRN-XHDPSFHLSA-N 1 2 342.403 0.753 20 30 ECEDLO Cc1nc(NC[C@@H](O)CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)ccc1C#N ZINC001106135175 766900470 /nfs/dbraw/zinc/90/04/70/766900470.db2.gz NXEOEBUQSDMTRN-XHDPSFHLSA-N 1 2 342.403 0.753 20 30 ECEDLO Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)n1 ZINC001106135695 766910261 /nfs/dbraw/zinc/91/02/61/766910261.db2.gz ZGBVZEMRLNNXRS-HZMBPMFUSA-N 1 2 343.391 0.148 20 30 ECEDLO Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)n1 ZINC001106135695 766910265 /nfs/dbraw/zinc/91/02/65/766910265.db2.gz ZGBVZEMRLNNXRS-HZMBPMFUSA-N 1 2 343.391 0.148 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)CN3CCCCCC3=O)CC2)C1 ZINC001046080741 766917630 /nfs/dbraw/zinc/91/76/30/766917630.db2.gz BSFWUTWKULAOEH-MRXNPFEDSA-N 1 2 347.463 0.131 20 30 ECEDLO Cc1ccc(CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)cn1 ZINC001046083825 766923417 /nfs/dbraw/zinc/92/34/17/766923417.db2.gz BLAAUJBXXBBFOO-KRWDZBQOSA-N 1 2 327.432 0.675 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC(=O)N(C(C)C)C1)CO2 ZINC001053818545 766925557 /nfs/dbraw/zinc/92/55/57/766925557.db2.gz MZGRDZKFOUKDCN-HUUCEWRRSA-N 1 2 333.432 0.226 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC001046085066 766925765 /nfs/dbraw/zinc/92/57/65/766925765.db2.gz DNZMMAPQDNZBJS-GOEBONIOSA-N 1 2 342.447 0.257 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001016815656 766975148 /nfs/dbraw/zinc/97/51/48/766975148.db2.gz IIULAHBWQXBVIT-UHFFFAOYSA-N 1 2 340.387 0.880 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(=O)[nH]c(C3CC3)n1)CO2 ZINC001053842143 766992822 /nfs/dbraw/zinc/99/28/22/766992822.db2.gz DHHPVXAWGMBIRI-CYBMUJFWSA-N 1 2 342.399 0.656 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cn(C)nc1COC)CO2 ZINC001053851518 767020538 /nfs/dbraw/zinc/02/05/38/767020538.db2.gz UEZKRPISAQFOHN-ZDUSSCGKSA-N 1 2 332.404 0.163 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(N(C)C)nc1)CO2 ZINC001053854930 767030794 /nfs/dbraw/zinc/03/07/94/767030794.db2.gz ALOUGMKDUOTUQW-HNNXBMFYSA-N 1 2 328.416 0.744 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1c(OC)ccnc1OC)CO2 ZINC001053869970 767084898 /nfs/dbraw/zinc/08/48/98/767084898.db2.gz YYHVPGCUZYREIY-ZDUSSCGKSA-N 1 2 345.399 0.695 20 30 ECEDLO C[C@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046289460 767129981 /nfs/dbraw/zinc/12/99/81/767129981.db2.gz VOHLPQDWNOVFNP-YOEHRIQHSA-N 1 2 346.362 0.886 20 30 ECEDLO C[C@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046289460 767129983 /nfs/dbraw/zinc/12/99/83/767129983.db2.gz VOHLPQDWNOVFNP-YOEHRIQHSA-N 1 2 346.362 0.886 20 30 ECEDLO CCN1CCOC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031797228 767225455 /nfs/dbraw/zinc/22/54/55/767225455.db2.gz KXRCKFRJQRXGRA-MRXNPFEDSA-N 1 2 348.472 0.888 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1c(C)cc(C)[nH]c1=O)CO2 ZINC001053904007 767311292 /nfs/dbraw/zinc/31/12/92/767311292.db2.gz CMLZSQUTLNPVHN-OAHLLOKOSA-N 1 2 343.427 0.929 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCc3nn[nH]c31)CO2 ZINC001053908158 767327659 /nfs/dbraw/zinc/32/76/59/767327659.db2.gz LQRZSZUHDYIJFA-STQMWFEESA-N 1 2 329.404 0.207 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn(CCC(C)C)nn1)CO2 ZINC001053922642 767367699 /nfs/dbraw/zinc/36/76/99/767367699.db2.gz FTMUTIUNLMRTFD-OAHLLOKOSA-N 1 2 345.447 0.921 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1Cc3ccncc3C1)CO2 ZINC001053924473 767373312 /nfs/dbraw/zinc/37/33/12/767373312.db2.gz UPKJTJPGQIYHHF-NVXWUHKLSA-N 1 2 325.412 0.779 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)NC[C@@H](O)CNc2nccnc2C#N)c[nH+]1 ZINC001106160232 767414539 /nfs/dbraw/zinc/41/45/39/767414539.db2.gz YKCPLMGEBSCCNU-LBPRGKRZSA-N 1 2 343.391 0.178 20 30 ECEDLO N#Cc1cnc(N2CC=C(CCNC(=O)Cn3cc[nH+]c3)CC2)cn1 ZINC001089834553 767420207 /nfs/dbraw/zinc/42/02/07/767420207.db2.gz IOUWPKOZJYRCNJ-UHFFFAOYSA-N 1 2 337.387 0.888 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3n[nH]c(=O)n3c1)CO2 ZINC001053955321 767443993 /nfs/dbraw/zinc/44/39/93/767443993.db2.gz IDQKEBGUJWIGQU-CYBMUJFWSA-N 1 2 341.371 0.031 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3nncn3c1)CO2 ZINC001053955740 767445822 /nfs/dbraw/zinc/44/58/22/767445822.db2.gz QQKUNZUGWLBQJA-AWEZNQCLSA-N 1 2 325.372 0.326 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(CNC(C)=O)o1)CO2 ZINC001053958802 767452978 /nfs/dbraw/zinc/45/29/78/767452978.db2.gz MBLQOTGGCIYECA-AWEZNQCLSA-N 1 2 345.399 0.512 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccn(C)n3)C2)nn1 ZINC001046681580 767471169 /nfs/dbraw/zinc/47/11/69/767471169.db2.gz PLWKCUPNMOPSTK-INIZCTEOSA-N 1 2 329.408 0.592 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccn(C)n3)C2)nn1 ZINC001046681580 767471172 /nfs/dbraw/zinc/47/11/72/767471172.db2.gz PLWKCUPNMOPSTK-INIZCTEOSA-N 1 2 329.408 0.592 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(CC)c[nH]c1=O)CO2 ZINC001053969473 767490152 /nfs/dbraw/zinc/49/01/52/767490152.db2.gz OOQPBPVVGMCYDY-CQSZACIVSA-N 1 2 329.400 0.946 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001017056506 767524339 /nfs/dbraw/zinc/52/43/39/767524339.db2.gz MAVOKMRQZOWRLS-PQAZSJQKSA-N 1 2 332.404 0.649 20 30 ECEDLO Cc1cc(C)c(C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)c(C)[nH+]1 ZINC001106182837 767742686 /nfs/dbraw/zinc/74/26/86/767742686.db2.gz HYTYWABYCWLSLT-AWEZNQCLSA-N 1 2 340.387 0.871 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=COCCO2)C1=O ZINC001017326553 767847183 /nfs/dbraw/zinc/84/71/83/767847183.db2.gz DVLZEKIUQKNSIB-ZNMIVQPWSA-N 1 2 347.415 0.337 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=COCCO2)C1=O ZINC001017326553 767847188 /nfs/dbraw/zinc/84/71/88/767847188.db2.gz DVLZEKIUQKNSIB-ZNMIVQPWSA-N 1 2 347.415 0.337 20 30 ECEDLO N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001017840947 768446844 /nfs/dbraw/zinc/44/68/44/768446844.db2.gz KBJCFGXLNHHTMI-BBWFWOEESA-N 1 2 332.448 0.829 20 30 ECEDLO N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001017840947 768446849 /nfs/dbraw/zinc/44/68/49/768446849.db2.gz KBJCFGXLNHHTMI-BBWFWOEESA-N 1 2 332.448 0.829 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@]2(C)C1 ZINC000993246668 768638019 /nfs/dbraw/zinc/63/80/19/768638019.db2.gz PQROPVXICNQOAR-SUNYJGFJSA-N 1 2 343.431 0.819 20 30 ECEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001055223252 768681797 /nfs/dbraw/zinc/68/17/97/768681797.db2.gz VWMZADRIHRCNEM-KFWWJZLASA-N 1 2 346.431 0.850 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001055313074 768767732 /nfs/dbraw/zinc/76/77/32/768767732.db2.gz AVEHKZZOXAZLGS-IYOUNJFTSA-N 1 2 346.431 0.586 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001055313236 768768670 /nfs/dbraw/zinc/76/86/70/768768670.db2.gz HVLWOOBGTCFHKN-AHIWAGSCSA-N 1 2 332.404 0.196 20 30 ECEDLO N#Cc1cnc(N[C@@H]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]23)cn1 ZINC001060556785 768803685 /nfs/dbraw/zinc/80/36/85/768803685.db2.gz HHTHZHBNYBWMPN-BYCMXARLSA-N 1 2 337.387 0.963 20 30 ECEDLO C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001018228753 768922776 /nfs/dbraw/zinc/92/27/76/768922776.db2.gz CXDBHKOGURUFQU-GXTWGEPZSA-N 1 2 340.387 0.892 20 30 ECEDLO C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001018240248 768947418 /nfs/dbraw/zinc/94/74/18/768947418.db2.gz VAJKDHOYNVECQU-TZMCWYRMSA-N 1 2 340.387 0.892 20 30 ECEDLO C#Cc1ccc(C(=O)NC2C[NH+](CCCN3CCCC3=O)C2)nc1 ZINC001031279088 769052458 /nfs/dbraw/zinc/05/24/58/769052458.db2.gz MYBNEJWAIKEIIS-UHFFFAOYSA-N 1 2 326.400 0.489 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3cc[nH]n3)C2)CC1 ZINC001018359914 769190672 /nfs/dbraw/zinc/19/06/72/769190672.db2.gz PNVYAEMTYZXPBH-AWEZNQCLSA-N 1 2 331.420 0.592 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3n[nH]cc3F)C2)CC1 ZINC001018371714 769229278 /nfs/dbraw/zinc/22/92/78/769229278.db2.gz IAMOQKKACGFRCA-CYBMUJFWSA-N 1 2 349.410 0.731 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cnco3)C2)CC1 ZINC001018371770 769230615 /nfs/dbraw/zinc/23/06/15/769230615.db2.gz ZNOGCENVMBCVGD-CQSZACIVSA-N 1 2 332.404 0.857 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@@]3(C)CCOC3)C2)CC1 ZINC001018376348 769246255 /nfs/dbraw/zinc/24/62/55/769246255.db2.gz SYHBGSWNEKHAOY-LPHOPBHVSA-N 1 2 349.475 0.982 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c2CC)[C@H](OC)C1 ZINC001212214716 769276549 /nfs/dbraw/zinc/27/65/49/769276549.db2.gz VSYAUVONHIEWIL-APHBMKBZSA-N 1 2 346.431 0.144 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cc[nH]c2CC)[C@H](OC)C1 ZINC001212214716 769276559 /nfs/dbraw/zinc/27/65/59/769276559.db2.gz VSYAUVONHIEWIL-APHBMKBZSA-N 1 2 346.431 0.144 20 30 ECEDLO CC(=O)CCCC(=O)NC1CC[NH+](CCNC(=O)[C@@H](C)C#N)CC1 ZINC001055629560 769295743 /nfs/dbraw/zinc/29/57/43/769295743.db2.gz DGMCQBUKPXTUHY-ZDUSSCGKSA-N 1 2 336.436 0.602 20 30 ECEDLO C[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001018441853 769355924 /nfs/dbraw/zinc/35/59/24/769355924.db2.gz QMAXKMMOWFBPKJ-AAEUAGOBSA-N 1 2 340.387 0.961 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+](Cc3cnnn3C)[C@H]2C)c1 ZINC000993773374 769597678 /nfs/dbraw/zinc/59/76/78/769597678.db2.gz QITAYGATCSFSEU-GUYCJALGSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+](Cc3cnnn3C)[C@H]2C)c1 ZINC000993773374 769597682 /nfs/dbraw/zinc/59/76/82/769597682.db2.gz QITAYGATCSFSEU-GUYCJALGSA-N 1 2 338.415 0.974 20 30 ECEDLO COCc1noc([C@@H](C)[NH2+][C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001018739160 769832854 /nfs/dbraw/zinc/83/28/54/769832854.db2.gz XUTPYNAAZVDJCB-PWSUYJOCSA-N 1 2 344.375 0.981 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NC)[C@@H]2C)nn1 ZINC000993991371 769974216 /nfs/dbraw/zinc/97/42/16/769974216.db2.gz UKJKAAWNKIWFEQ-CHWSQXEVSA-N 1 2 334.424 0.183 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC)[C@@H]2C)nn1 ZINC000993991371 769974228 /nfs/dbraw/zinc/97/42/28/769974228.db2.gz UKJKAAWNKIWFEQ-CHWSQXEVSA-N 1 2 334.424 0.183 20 30 ECEDLO CC(C)(C(=O)N1CCN(c2ccnc(C#N)n2)CC1)c1c[nH+]c[nH]1 ZINC001055861065 770009273 /nfs/dbraw/zinc/00/92/73/770009273.db2.gz IRECPYRUXIYFBG-UHFFFAOYSA-N 1 2 325.376 0.698 20 30 ECEDLO Cc1noc(C[NH2+]C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCCO2)n1 ZINC001078373581 782797815 /nfs/dbraw/zinc/79/78/15/782797815.db2.gz CPGIFGJWKMEUIM-ZDUSSCGKSA-N 1 2 344.375 0.599 20 30 ECEDLO CC(C)(C)C#CC(=O)N[C@]1(CO)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001055940512 770299511 /nfs/dbraw/zinc/29/95/11/770299511.db2.gz NCICGBRDAZOEGP-GOSISDBHSA-N 1 2 346.431 0.471 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC3CC3)[C@H]2C)nc1 ZINC000994261268 770484510 /nfs/dbraw/zinc/48/45/10/770484510.db2.gz ZWTTTXSBLAGPRV-XJKSGUPXSA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NC3CC3)[C@H]2C)nc1 ZINC000994261268 770484518 /nfs/dbraw/zinc/48/45/18/770484518.db2.gz ZWTTTXSBLAGPRV-XJKSGUPXSA-N 1 2 340.427 0.924 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@H]1C ZINC000994381720 770699736 /nfs/dbraw/zinc/69/97/36/770699736.db2.gz YPRVTYQMYNAARU-NEPJUHHUSA-N 1 2 327.812 0.857 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@H]1C ZINC000994381720 770699738 /nfs/dbraw/zinc/69/97/38/770699738.db2.gz YPRVTYQMYNAARU-NEPJUHHUSA-N 1 2 327.812 0.857 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CCN(c2cncc(C#N)n2)CC1 ZINC001056095835 770813467 /nfs/dbraw/zinc/81/34/67/770813467.db2.gz NVUJEIOLEJUGSP-UHFFFAOYSA-N 1 2 325.376 0.363 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC001019135590 770894761 /nfs/dbraw/zinc/89/47/61/770894761.db2.gz BHDKAGPREOTBRF-UONOGXRCSA-N 1 2 341.415 0.666 20 30 ECEDLO N#Cc1cccnc1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001056326498 771129028 /nfs/dbraw/zinc/12/90/28/771129028.db2.gz DHRSDXJHTZYHMU-KKBVYLPWSA-N 1 2 348.410 0.963 20 30 ECEDLO N#CCOc1ccc(CN2CC(NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001031476217 771142230 /nfs/dbraw/zinc/14/22/30/771142230.db2.gz BHXIOTQTVNYPPJ-UHFFFAOYSA-N 1 2 325.372 0.786 20 30 ECEDLO N#Cc1nccnc1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc2[nH+]ccn21 ZINC001056344307 771151289 /nfs/dbraw/zinc/15/12/89/771151289.db2.gz GAXUVPOFSBILKQ-ATCWAGBWSA-N 1 2 345.366 0.861 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001056480222 771320632 /nfs/dbraw/zinc/32/06/32/771320632.db2.gz YCNDIRDZAYXNKU-JKSUJKDBSA-N 1 2 346.431 0.757 20 30 ECEDLO N#Cc1nccc(NC2CC3(CC(NC(=O)Cn4cc[nH+]c4)C3)C2)n1 ZINC001056522631 771351531 /nfs/dbraw/zinc/35/15/31/771351531.db2.gz INEFGLWCQIZWCJ-UHFFFAOYSA-N 1 2 337.387 0.506 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC3(CN(C(=O)Cc4c[nH+]c[nH]4)C3)C2)cn1 ZINC001019495569 771363451 /nfs/dbraw/zinc/36/34/51/771363451.db2.gz GJZQUJINOPNVKO-UHFFFAOYSA-N 1 2 349.394 0.703 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056572144 771392979 /nfs/dbraw/zinc/39/29/79/771392979.db2.gz GDHVYYWUZFBZGM-HUUCEWRRSA-N 1 2 332.404 0.747 20 30 ECEDLO N#Cc1cccnc1N1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001089543049 771433429 /nfs/dbraw/zinc/43/34/29/771433429.db2.gz DANGAQGMERAGES-HNNXBMFYSA-N 1 2 340.387 0.561 20 30 ECEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCNC(=O)C1 ZINC001031613349 771453895 /nfs/dbraw/zinc/45/38/95/771453895.db2.gz MALZQEXQGKJKAJ-MRXNPFEDSA-N 1 2 343.402 0.751 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001056665521 771488314 /nfs/dbraw/zinc/48/83/14/771488314.db2.gz ZZSTUPGSJJKIQY-JKSUJKDBSA-N 1 2 344.415 0.372 20 30 ECEDLO C=CCOCC(=O)N1C[C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001056679611 771506211 /nfs/dbraw/zinc/50/62/11/771506211.db2.gz YDWIZPHYCYHLAR-GOEBONIOSA-N 1 2 346.431 0.994 20 30 ECEDLO C=CCOCC(=O)N1C[C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001056679611 771506217 /nfs/dbraw/zinc/50/62/17/771506217.db2.gz YDWIZPHYCYHLAR-GOEBONIOSA-N 1 2 346.431 0.994 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1CCC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001056681927 771509024 /nfs/dbraw/zinc/50/90/24/771509024.db2.gz YAAFTQODRPVKOZ-QLFBSQMISA-N 1 2 346.431 0.993 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1C[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001056707751 771538399 /nfs/dbraw/zinc/53/83/99/771538399.db2.gz WCHZUJUCQDVCOS-IYOUNJFTSA-N 1 2 346.431 0.729 20 30 ECEDLO C=CCN1CC[C@@H]([NH2+]Cc2cn([C@@H]3CCN(C(=O)CC)C3)nn2)C1=O ZINC001089573571 771541143 /nfs/dbraw/zinc/54/11/43/771541143.db2.gz HRKYCMBEALZXFS-HUUCEWRRSA-N 1 2 346.435 0.338 20 30 ECEDLO N#Cc1nccnc1N[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001056724668 771559704 /nfs/dbraw/zinc/55/97/04/771559704.db2.gz FCPGNZGJZRJGJV-CHWSQXEVSA-N 1 2 337.387 0.820 20 30 ECEDLO CC(=O)N1CC(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001031637341 771561480 /nfs/dbraw/zinc/56/14/80/771561480.db2.gz XYWFKZOGGXKXDD-UHFFFAOYSA-N 1 2 344.390 0.724 20 30 ECEDLO Cn1nncc1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031643449 771581297 /nfs/dbraw/zinc/58/12/97/771581297.db2.gz SDTHJXNQSDHQRZ-UHFFFAOYSA-N 1 2 327.363 0.668 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3COC(=O)N3)C2)cc1F ZINC001031646376 771590862 /nfs/dbraw/zinc/59/08/62/771590862.db2.gz ARSFTXANOYUZIS-AWEZNQCLSA-N 1 2 332.335 0.354 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCCN(c2nccnc2C#N)CC1 ZINC001057157848 772188700 /nfs/dbraw/zinc/18/87/00/772188700.db2.gz QPAWOCDFJRVMLA-UHFFFAOYSA-N 1 2 325.376 0.363 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC(Nc2ccnc(C#N)n2)CC1 ZINC001057351725 772503711 /nfs/dbraw/zinc/50/37/11/772503711.db2.gz CKNZQWOIPMECTP-UHFFFAOYSA-N 1 2 325.376 0.447 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(Nc2ccnc(C#N)n2)CC1 ZINC001057438329 772615163 /nfs/dbraw/zinc/61/51/63/772615163.db2.gz IBZSXOZNJVAJHR-GFCCVEGCSA-N 1 2 339.403 0.775 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(Nc2ccnc(C#N)n2)CC1 ZINC001057438329 772615165 /nfs/dbraw/zinc/61/51/65/772615165.db2.gz IBZSXOZNJVAJHR-GFCCVEGCSA-N 1 2 339.403 0.775 20 30 ECEDLO CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001057524628 772716635 /nfs/dbraw/zinc/71/66/35/772716635.db2.gz KXUIFZWVHVBWQG-HNNXBMFYSA-N 1 2 346.431 0.042 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCN(CCO)C(=O)C#CC(C)(C)C ZINC001057540705 772736465 /nfs/dbraw/zinc/73/64/65/772736465.db2.gz BUZGXKCJVXNVLO-CQSZACIVSA-N 1 2 348.447 0.575 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCN(CCO)C(=O)C#CC(C)(C)C ZINC001057540705 772736468 /nfs/dbraw/zinc/73/64/68/772736468.db2.gz BUZGXKCJVXNVLO-CQSZACIVSA-N 1 2 348.447 0.575 20 30 ECEDLO C#CCC1(C(=O)N(CCO)CCNC(=O)Cc2[nH]c[nH+]c2C)CCC1 ZINC001057821451 773030672 /nfs/dbraw/zinc/03/06/72/773030672.db2.gz FHXRBRUSQJNXIM-UHFFFAOYSA-N 1 2 346.431 0.391 20 30 ECEDLO C#CCC1(C(=O)N(CCO)CCNC(=O)Cn2cc[nH+]c2)CCC1 ZINC001057823459 773034587 /nfs/dbraw/zinc/03/45/87/773034587.db2.gz SVIDVTWABPNDML-UHFFFAOYSA-N 1 2 332.404 0.014 20 30 ECEDLO C[C@H](Nc1ccnc(C#N)n1)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001058014123 773369692 /nfs/dbraw/zinc/36/96/92/773369692.db2.gz IUXCGFCXPNVGOU-KBPBESRZSA-N 1 2 339.403 0.848 20 30 ECEDLO CN(C(=O)Cn1cc[nH+]c1)C1CCN(c2ccc(C#N)nn2)CC1 ZINC001058058574 773449586 /nfs/dbraw/zinc/44/95/86/773449586.db2.gz RPGVLGVAJORKSO-UHFFFAOYSA-N 1 2 325.376 0.672 20 30 ECEDLO C=C[C@H](CC)CC(=O)NC[C@]1(O)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001040629830 783135006 /nfs/dbraw/zinc/13/50/06/783135006.db2.gz NPYJFUGDRQKDJV-CRAIPNDOSA-N 1 2 348.447 0.955 20 30 ECEDLO C[C@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CN1c1cnc(C#N)cn1 ZINC001039819981 783150311 /nfs/dbraw/zinc/15/03/11/783150311.db2.gz YZKQCZQDMZTARA-NWDGAFQWSA-N 1 2 325.376 0.788 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)Cc1c[nH+]cn1C ZINC001058436232 774176705 /nfs/dbraw/zinc/17/67/05/774176705.db2.gz YRBJEAHJZZSACE-ZIAGYGMSSA-N 1 2 336.436 0.358 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001058468294 774243559 /nfs/dbraw/zinc/24/35/59/774243559.db2.gz FQUBOQACIZNRSU-AWEZNQCLSA-N 1 2 336.436 0.800 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)nn1 ZINC001058474576 774256719 /nfs/dbraw/zinc/25/67/19/774256719.db2.gz LUCDNJLPXSEYKM-TZMCWYRMSA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)nn1 ZINC001058541846 774394579 /nfs/dbraw/zinc/39/45/79/774394579.db2.gz VFNVBMPKIKQSMD-OLZOCXBDSA-N 1 2 337.387 0.886 20 30 ECEDLO N#Cc1cnc(N2CC[C@H](NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)cn1 ZINC001058542023 774395499 /nfs/dbraw/zinc/39/54/99/774395499.db2.gz YXNRHDPYLRVXTJ-AAEUAGOBSA-N 1 2 337.387 0.886 20 30 ECEDLO C=CCn1cccc1C(=O)NCCN(CCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001058547282 774409461 /nfs/dbraw/zinc/40/94/61/774409461.db2.gz AORFKEVPAJBIJC-UHFFFAOYSA-N 1 2 345.403 0.191 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 ZINC001058586453 774482934 /nfs/dbraw/zinc/48/29/34/774482934.db2.gz PUAVKGQNAFEFOM-CQSZACIVSA-N 1 2 338.371 0.689 20 30 ECEDLO C=CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001058623513 774561727 /nfs/dbraw/zinc/56/17/27/774561727.db2.gz VMQOXFJQHJCDMY-HUUCEWRRSA-N 1 2 348.447 0.817 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001044979154 774792329 /nfs/dbraw/zinc/79/23/29/774792329.db2.gz COBTZFIFYCMCPP-OLZOCXBDSA-N 1 2 334.420 0.490 20 30 ECEDLO C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1CNc1ccnc(C#N)n1 ZINC001039870680 783209387 /nfs/dbraw/zinc/20/93/87/783209387.db2.gz ISEIGNOKYRGMBK-KBPBESRZSA-N 1 2 339.403 0.563 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001045064809 774920443 /nfs/dbraw/zinc/92/04/43/774920443.db2.gz ZWPSYZIKUXCPLF-OAHLLOKOSA-N 1 2 348.447 0.955 20 30 ECEDLO C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001045072049 774932948 /nfs/dbraw/zinc/93/29/48/774932948.db2.gz ACFUBUYGHZCJFN-MGPQQGTHSA-N 1 2 346.431 0.805 20 30 ECEDLO C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001045072049 774932955 /nfs/dbraw/zinc/93/29/55/774932955.db2.gz ACFUBUYGHZCJFN-MGPQQGTHSA-N 1 2 346.431 0.805 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001045238046 775199865 /nfs/dbraw/zinc/19/98/65/775199865.db2.gz HJGGEYHROCVSGE-YDHLFZDLSA-N 1 2 334.424 0.272 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCC(C)(NC(=O)c3ncn[nH]3)CC2)C1=O ZINC001045592347 775855357 /nfs/dbraw/zinc/85/53/57/775855357.db2.gz VQQWKJIAYPWSMX-LBPRGKRZSA-N 1 2 332.408 0.176 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCC(C)(NC(=O)c3nc[nH]n3)CC2)C1=O ZINC001045592347 775855364 /nfs/dbraw/zinc/85/53/64/775855364.db2.gz VQQWKJIAYPWSMX-LBPRGKRZSA-N 1 2 332.408 0.176 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccncc2Cl)[C@@H](n2ccnn2)C1 ZINC001070037506 790411740 /nfs/dbraw/zinc/41/17/40/790411740.db2.gz ZUUDDHZODPKLOH-KGLIPLIRSA-N 1 2 330.779 0.615 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccncc2Cl)[C@@H](n2ccnn2)C1 ZINC001070037506 790411743 /nfs/dbraw/zinc/41/17/43/790411743.db2.gz ZUUDDHZODPKLOH-KGLIPLIRSA-N 1 2 330.779 0.615 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001044323521 776154276 /nfs/dbraw/zinc/15/42/76/776154276.db2.gz NZYGJDGNBYIMDI-ZDUSSCGKSA-N 1 2 334.420 0.552 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2csc3cncn32)[C@@H](n2ccnn2)C1 ZINC001070043793 790432564 /nfs/dbraw/zinc/43/25/64/790432564.db2.gz JRQCDPBTSIWAEC-NEPJUHHUSA-N 1 2 341.400 0.276 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2csc3cncn32)[C@@H](n2ccnn2)C1 ZINC001070043793 790432572 /nfs/dbraw/zinc/43/25/72/790432572.db2.gz JRQCDPBTSIWAEC-NEPJUHHUSA-N 1 2 341.400 0.276 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)c2c(C)noc2C)[C@@H](n2ccnn2)C1 ZINC001070054286 790464047 /nfs/dbraw/zinc/46/40/47/790464047.db2.gz QBJROSYSOFQRQO-GLQYFDAESA-N 1 2 342.403 0.661 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2c(C)noc2C)[C@@H](n2ccnn2)C1 ZINC001070054286 790464051 /nfs/dbraw/zinc/46/40/51/790464051.db2.gz QBJROSYSOFQRQO-GLQYFDAESA-N 1 2 342.403 0.661 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001044674197 776619174 /nfs/dbraw/zinc/61/91/74/776619174.db2.gz XHKSRAFKSVXMNO-CQSZACIVSA-N 1 2 348.447 0.645 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001079689377 776691609 /nfs/dbraw/zinc/69/16/09/776691609.db2.gz BPESBPBGEGUTTO-KRWDZBQOSA-N 1 2 334.420 0.729 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001079689377 776691613 /nfs/dbraw/zinc/69/16/13/776691613.db2.gz BPESBPBGEGUTTO-KRWDZBQOSA-N 1 2 334.420 0.729 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnoc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070067986 790496783 /nfs/dbraw/zinc/49/67/83/790496783.db2.gz ACCJLDFLITXDJO-CABCVRRESA-N 1 2 340.387 0.822 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnoc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070067986 790496785 /nfs/dbraw/zinc/49/67/85/790496785.db2.gz ACCJLDFLITXDJO-CABCVRRESA-N 1 2 340.387 0.822 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001079895048 777035601 /nfs/dbraw/zinc/03/56/01/777035601.db2.gz QAHXOWFOTRNYOU-YUSALJHKSA-N 1 2 344.253 0.858 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001079895048 777035607 /nfs/dbraw/zinc/03/56/07/777035607.db2.gz QAHXOWFOTRNYOU-YUSALJHKSA-N 1 2 344.253 0.858 20 30 ECEDLO CCN(C(=O)[C@@H](c1cccnc1)[NH+](C)C)C1CN(C(=O)[C@@H](C)C#N)C1 ZINC001079938918 777114140 /nfs/dbraw/zinc/11/41/40/777114140.db2.gz YRXBRNJSPLPZFF-XJKSGUPXSA-N 1 2 343.431 0.903 20 30 ECEDLO C=CCCC(=O)NC[C@H]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)O1 ZINC001068537660 790510414 /nfs/dbraw/zinc/51/04/14/790510414.db2.gz JUDDBNMKMDZKSG-CYBMUJFWSA-N 1 2 332.404 0.795 20 30 ECEDLO C=CCCOCC(=O)N1CC(N(CC)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001079964841 777162308 /nfs/dbraw/zinc/16/23/08/777162308.db2.gz LQIHVIOMKWXEKW-UHFFFAOYSA-N 1 2 334.420 0.994 20 30 ECEDLO C=CCCOCC(=O)N1CC(N(CC)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001079964841 777162312 /nfs/dbraw/zinc/16/23/12/777162312.db2.gz LQIHVIOMKWXEKW-UHFFFAOYSA-N 1 2 334.420 0.994 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)CCc2[nH+]ccn2C)C1 ZINC001080243248 777598560 /nfs/dbraw/zinc/59/85/60/777598560.db2.gz ZCODDDSXLVRUCE-AWEZNQCLSA-N 1 2 346.431 0.450 20 30 ECEDLO CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001080417092 777821955 /nfs/dbraw/zinc/82/19/55/777821955.db2.gz VRPDUDZQLWCLGH-QWHCGFSZSA-N 1 2 329.404 0.664 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1Nc1ccnc(C#N)n1 ZINC001043163948 777857180 /nfs/dbraw/zinc/85/71/80/777857180.db2.gz HZTKBIRKBXIUHU-VXGBXAGGSA-N 1 2 325.376 0.385 20 30 ECEDLO C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001043187676 777912522 /nfs/dbraw/zinc/91/25/22/777912522.db2.gz OHNQRYQCPHKXER-UHFFFAOYSA-N 1 2 346.431 0.719 20 30 ECEDLO C#CCCCC(=O)NC1(CNC(=O)Cn2cc[nH+]c2)CCOCC1 ZINC001070093662 790579069 /nfs/dbraw/zinc/57/90/69/790579069.db2.gz ZPQUNUXDKCMLPE-UHFFFAOYSA-N 1 2 332.404 0.468 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001043228564 778013240 /nfs/dbraw/zinc/01/32/40/778013240.db2.gz OMEHUQYWDVKTIT-KGLIPLIRSA-N 1 2 348.447 0.880 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001043228564 778013250 /nfs/dbraw/zinc/01/32/50/778013250.db2.gz OMEHUQYWDVKTIT-KGLIPLIRSA-N 1 2 348.447 0.880 20 30 ECEDLO C#CCC1(C(=O)NCC2(O)CN(C(=O)CCc3c[nH]c[nH+]3)C2)CCC1 ZINC001043351574 778208418 /nfs/dbraw/zinc/20/84/18/778208418.db2.gz DHSDKRNERDVOCC-UHFFFAOYSA-N 1 2 344.415 0.225 20 30 ECEDLO C#CCC1(C(=O)NCC2(O)CN(C(=O)CCc3c[nH+]c[nH]3)C2)CCC1 ZINC001043351574 778208423 /nfs/dbraw/zinc/20/84/23/778208423.db2.gz DHSDKRNERDVOCC-UHFFFAOYSA-N 1 2 344.415 0.225 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001043620316 778606734 /nfs/dbraw/zinc/60/67/34/778606734.db2.gz ANVHEZRDQCTUCV-CYBMUJFWSA-N 1 2 346.431 0.347 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CCCC=C)C1 ZINC001043646380 778659475 /nfs/dbraw/zinc/65/94/75/778659475.db2.gz CSOIQQUEFKDQEV-HNNXBMFYSA-N 1 2 333.432 0.130 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CCCC=C)C1 ZINC001043646380 778659479 /nfs/dbraw/zinc/65/94/79/778659479.db2.gz CSOIQQUEFKDQEV-HNNXBMFYSA-N 1 2 333.432 0.130 20 30 ECEDLO C=C(C)CCC(=O)N1CC(O)(CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001043670303 778693699 /nfs/dbraw/zinc/69/36/99/778693699.db2.gz KYTKQOSVYZVXEQ-UHFFFAOYSA-N 1 2 347.415 0.679 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC2(C1)CC[C@@H](CNC(=O)Cn1cc[nH+]c1)O2 ZINC001068588606 790644272 /nfs/dbraw/zinc/64/42/72/790644272.db2.gz BYUGFXXTODCBES-AWEZNQCLSA-N 1 2 346.431 0.972 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001043701027 778743553 /nfs/dbraw/zinc/74/35/53/778743553.db2.gz XAVZBMYNYZWMTM-HUUCEWRRSA-N 1 2 348.447 0.811 20 30 ECEDLO C#CCCCC(=O)N1CC2(C1)CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)O2 ZINC001068640970 790775497 /nfs/dbraw/zinc/77/54/97/790775497.db2.gz QOCTWBMVGHUMRF-HNNXBMFYSA-N 1 2 344.415 0.632 20 30 ECEDLO Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2n2ccnn2)s1 ZINC001070159850 790787684 /nfs/dbraw/zinc/78/76/84/790787684.db2.gz TYYAKYVFWJRBAE-RTXFEEFZSA-N 1 2 345.432 0.744 20 30 ECEDLO C=CC[NH2+][C@H]1C[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C12CCC2 ZINC001078749147 780429741 /nfs/dbraw/zinc/42/97/41/780429741.db2.gz JNLKKZVZYJEHBK-STQMWFEESA-N 1 2 342.403 0.274 20 30 ECEDLO C#CCC1(C(=O)N[C@@H](C)CCNC(=O)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001078754426 780443007 /nfs/dbraw/zinc/44/30/07/780443007.db2.gz WHPBRTSATOVFQU-AWEZNQCLSA-N 1 2 346.431 0.783 20 30 ECEDLO Cc1noc(CCC[NH+]2CC(N(C)C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001042590056 780493308 /nfs/dbraw/zinc/49/33/08/780493308.db2.gz SEKXUNOFNAYJGJ-UHFFFAOYSA-N 1 2 328.376 0.967 20 30 ECEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnon2)C1 ZINC001079146188 780813423 /nfs/dbraw/zinc/81/34/23/780813423.db2.gz YEWCCICNOJEMAM-HZPDHXFCSA-N 1 2 326.356 0.390 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnon2)C1 ZINC001079146188 780813432 /nfs/dbraw/zinc/81/34/32/780813432.db2.gz YEWCCICNOJEMAM-HZPDHXFCSA-N 1 2 326.356 0.390 20 30 ECEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccncn2)C1 ZINC001079146096 780813546 /nfs/dbraw/zinc/81/35/46/780813546.db2.gz RQNFCZREMJSWLZ-QZTJIDSGSA-N 1 2 336.395 0.797 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccncn2)C1 ZINC001079146096 780813559 /nfs/dbraw/zinc/81/35/59/780813559.db2.gz RQNFCZREMJSWLZ-QZTJIDSGSA-N 1 2 336.395 0.797 20 30 ECEDLO C#CCC1(C(=O)N2CC(O)(CNC(=O)CCc3[nH]cc[nH+]3)C2)CCC1 ZINC001042825574 780895414 /nfs/dbraw/zinc/89/54/14/780895414.db2.gz AGNHSOINKWCNFD-UHFFFAOYSA-N 1 2 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CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2C(F)(F)F)C1 ZINC001077674016 781476376 /nfs/dbraw/zinc/47/63/76/781476376.db2.gz ABKKQZBMJRNODX-NXEZZACHSA-N 1 2 330.310 0.535 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2C(F)(F)F)C1 ZINC001077674016 781476383 /nfs/dbraw/zinc/47/63/83/781476383.db2.gz ABKKQZBMJRNODX-NXEZZACHSA-N 1 2 330.310 0.535 20 30 ECEDLO N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001041426375 781483088 /nfs/dbraw/zinc/48/30/88/781483088.db2.gz XPMQCUNXLLYRHF-NVXWUHKLSA-N 1 2 348.366 0.809 20 30 ECEDLO Cc1ccn(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)n1 ZINC001077695065 781531714 /nfs/dbraw/zinc/53/17/14/781531714.db2.gz VTLZUUYAAGEHDQ-HUUCEWRRSA-N 1 2 345.428 0.486 20 30 ECEDLO Cc1ccn(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)n1 ZINC001077695065 781531718 /nfs/dbraw/zinc/53/17/18/781531718.db2.gz VTLZUUYAAGEHDQ-HUUCEWRRSA-N 1 2 345.428 0.486 20 30 ECEDLO CN(c1ccc(C#N)nn1)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001068689464 790908631 /nfs/dbraw/zinc/90/86/31/790908631.db2.gz YURLVXOVFBUENB-UHFFFAOYSA-N 1 2 325.376 0.741 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1O ZINC001077821811 781757950 /nfs/dbraw/zinc/75/79/50/781757950.db2.gz HZKMYFGDWCRHPR-JJXSEGSLSA-N 1 2 334.420 0.063 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1O ZINC001077821811 781757958 /nfs/dbraw/zinc/75/79/58/781757958.db2.gz HZKMYFGDWCRHPR-JJXSEGSLSA-N 1 2 334.420 0.063 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2nccnc2C)C[C@H]1O ZINC001077822009 781759443 /nfs/dbraw/zinc/75/94/43/781759443.db2.gz SRCAMASBTJHFMD-SVGFKBNWSA-N 1 2 346.431 0.428 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@H]1O ZINC001077822009 781759448 /nfs/dbraw/zinc/75/94/48/781759448.db2.gz SRCAMASBTJHFMD-SVGFKBNWSA-N 1 2 346.431 0.428 20 30 ECEDLO C[C@@]1(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)CCOC1 ZINC001077901984 781905468 /nfs/dbraw/zinc/90/54/68/781905468.db2.gz MUBJJMQVVVMHGI-ZHALLVOQSA-N 1 2 328.412 0.626 20 30 ECEDLO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)CCOC1 ZINC001077901984 781905475 /nfs/dbraw/zinc/90/54/75/781905475.db2.gz MUBJJMQVVVMHGI-ZHALLVOQSA-N 1 2 328.412 0.626 20 30 ECEDLO C[C@]1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2O)CCOC1 ZINC001077901852 781905819 /nfs/dbraw/zinc/90/58/19/781905819.db2.gz HVLLKHNLMGWWOI-NUJGCVRESA-N 1 2 347.390 0.785 20 30 ECEDLO C[C@]1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2O)CCOC1 ZINC001077901852 781905825 /nfs/dbraw/zinc/90/58/25/781905825.db2.gz HVLLKHNLMGWWOI-NUJGCVRESA-N 1 2 347.390 0.785 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@H]1CCNC1=O ZINC001039923206 783299366 /nfs/dbraw/zinc/29/93/66/783299366.db2.gz OZSGPOHBFBKFLI-LEOABGAYSA-N 1 2 333.432 0.531 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O ZINC001039923206 783299371 /nfs/dbraw/zinc/29/93/71/783299371.db2.gz OZSGPOHBFBKFLI-LEOABGAYSA-N 1 2 333.432 0.531 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@H](CC)C(N)=O ZINC001039923551 783300453 /nfs/dbraw/zinc/30/04/53/783300453.db2.gz WTPHYRIYMBGMOU-JKJDWNRSSA-N 1 2 335.448 0.907 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@H](CC)C(N)=O ZINC001039923551 783300462 /nfs/dbraw/zinc/30/04/62/783300462.db2.gz WTPHYRIYMBGMOU-JKJDWNRSSA-N 1 2 335.448 0.907 20 30 ECEDLO C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001039987663 783361134 /nfs/dbraw/zinc/36/11/34/783361134.db2.gz VKOSQHVPYFEYDW-KRWDZBQOSA-N 1 2 334.420 0.778 20 30 ECEDLO C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001040768926 783399467 /nfs/dbraw/zinc/39/94/67/783399467.db2.gz GRJIGNDZXNDZDT-GTNSWQLSSA-N 1 2 341.371 0.416 20 30 ECEDLO Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2n2ccnn2)c(C)o1 ZINC001070161128 783566771 /nfs/dbraw/zinc/56/67/71/783566771.db2.gz WBLGKQKRKRBEBZ-VQISRLSMSA-N 1 2 343.391 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ZINC001038174697 783950764 /nfs/dbraw/zinc/95/07/64/783950764.db2.gz IUFZXFFKTXLACQ-INIZCTEOSA-N 1 2 337.383 0.990 20 30 ECEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2COC(=O)N2)cc1C#N ZINC001038223399 784017771 /nfs/dbraw/zinc/01/77/71/784017771.db2.gz SUMIBTZLIBFWNI-KBPBESRZSA-N 1 2 344.371 0.366 20 30 ECEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2COC(=O)N2)cc1C#N ZINC001038223399 784017777 /nfs/dbraw/zinc/01/77/77/784017777.db2.gz SUMIBTZLIBFWNI-KBPBESRZSA-N 1 2 344.371 0.366 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1ccco1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070439801 784075140 /nfs/dbraw/zinc/07/51/40/784075140.db2.gz ZMCNAGONXZSDIR-CYBMUJFWSA-N 1 2 325.372 0.881 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1cnccn1)C[C@H]2c1nnc(C)[nH]1 ZINC001070441624 784083186 /nfs/dbraw/zinc/08/31/86/784083186.db2.gz ZCGHFOAUHZZHOA-ZDUSSCGKSA-N 1 2 337.387 0.078 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1cocn1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442655 784086665 /nfs/dbraw/zinc/08/66/65/784086665.db2.gz LUVHHPNDUKFLMA-GFCCVEGCSA-N 1 2 326.360 0.276 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@@H](CC)OC)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442956 784087729 /nfs/dbraw/zinc/08/77/29/784087729.db2.gz UEMLRTNAPIZUDB-ZIAGYGMSSA-N 1 2 331.420 0.399 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccn(C)c2)C1 ZINC001070910477 784099771 /nfs/dbraw/zinc/09/97/71/784099771.db2.gz UNYCHTGMTGVWFM-OAGGEKHMSA-N 1 2 344.415 0.931 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccn(C)c2)C1 ZINC001070910477 784099779 /nfs/dbraw/zinc/09/97/79/784099779.db2.gz UNYCHTGMTGVWFM-OAGGEKHMSA-N 1 2 344.415 0.931 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC13CC3)C[C@H]2c1nnc(C)[nH]1 ZINC001070449568 784107208 /nfs/dbraw/zinc/10/72/08/784107208.db2.gz SZJAGABOWXDBER-KBPBESRZSA-N 1 2 325.416 0.774 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)c2cnc3[nH]ccc3c2)CC1 ZINC001070971806 784276435 /nfs/dbraw/zinc/27/64/35/784276435.db2.gz SMTYJYTTZYKNDY-UHFFFAOYSA-N 1 2 341.415 0.965 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)c2cnc3[nH]ccc3c2)CC1 ZINC001070971806 784276438 /nfs/dbraw/zinc/27/64/38/784276438.db2.gz SMTYJYTTZYKNDY-UHFFFAOYSA-N 1 2 341.415 0.965 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)c2cccc(C(N)=O)c2)CC1 ZINC001070975472 784289627 /nfs/dbraw/zinc/28/96/27/784289627.db2.gz QASXMGBDJXHGGW-UHFFFAOYSA-N 1 2 344.415 0.236 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)c2cccc(C(N)=O)c2)CC1 ZINC001070975472 784289634 /nfs/dbraw/zinc/28/96/34/784289634.db2.gz QASXMGBDJXHGGW-UHFFFAOYSA-N 1 2 344.415 0.236 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)c2c[nH]c(=O)cc2OC)CC1 ZINC001071001039 784374447 /nfs/dbraw/zinc/37/44/47/784374447.db2.gz BPVHAWOHPIYXIA-UHFFFAOYSA-N 1 2 348.403 0.246 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)c2c[nH]c(=O)cc2OC)CC1 ZINC001071001039 784374452 /nfs/dbraw/zinc/37/44/52/784374452.db2.gz BPVHAWOHPIYXIA-UHFFFAOYSA-N 1 2 348.403 0.246 20 30 ECEDLO CO[C@H]1C[C@@H](Cn2ccc(NC(=O)Cc3[nH]cc[nH+]3)n2)N(CC#N)C1 ZINC001070599146 784412406 /nfs/dbraw/zinc/41/24/06/784412406.db2.gz KJQFYBJOJSDPDY-STQMWFEESA-N 1 2 343.391 0.400 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C(C)(C)c2cnn(C)c2)CC1 ZINC001071013339 784412987 /nfs/dbraw/zinc/41/29/87/784412987.db2.gz ZDTSKKDPHKWFTI-UHFFFAOYSA-N 1 2 347.463 0.534 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C(C)(C)c2cnn(C)c2)CC1 ZINC001071013339 784412991 /nfs/dbraw/zinc/41/29/91/784412991.db2.gz ZDTSKKDPHKWFTI-UHFFFAOYSA-N 1 2 347.463 0.534 20 30 ECEDLO Cc1noc(C)c1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070619995 784446638 /nfs/dbraw/zinc/44/66/38/784446638.db2.gz VVQIVJXZPKHWFP-CHWSQXEVSA-N 1 2 328.376 0.746 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2cscn2)CC1 ZINC001071024339 784450635 /nfs/dbraw/zinc/45/06/35/784450635.db2.gz PQOATJZPCIHHIO-UHFFFAOYSA-N 1 2 336.461 0.912 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCc2cscn2)CC1 ZINC001071024339 784450640 /nfs/dbraw/zinc/45/06/40/784450640.db2.gz PQOATJZPCIHHIO-UHFFFAOYSA-N 1 2 336.461 0.912 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001071031844 784461136 /nfs/dbraw/zinc/46/11/36/784461136.db2.gz GFLULKWQGCWJLO-HUUCEWRRSA-N 1 2 332.404 0.419 20 30 ECEDLO CCn1cc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)cn1 ZINC001070631663 784465076 /nfs/dbraw/zinc/46/50/76/784465076.db2.gz KHLZCSQJMCESDN-ZIAGYGMSSA-N 1 2 327.392 0.358 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001071088902 784532312 /nfs/dbraw/zinc/53/23/12/784532312.db2.gz UXZJPWSBLYPWIQ-KDOFPFPSSA-N 1 2 348.447 0.787 20 30 ECEDLO CCc1nocc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070686792 784550267 /nfs/dbraw/zinc/55/02/67/784550267.db2.gz CKRXLBCGDYJWIA-BXUZGUMPSA-N 1 2 328.376 0.692 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001070708069 784576348 /nfs/dbraw/zinc/57/63/48/784576348.db2.gz VUJKRGUIJVRZSR-OAHLLOKOSA-N 1 2 328.416 0.873 20 30 ECEDLO Cc1noc(C)c1CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070718106 784591597 /nfs/dbraw/zinc/59/15/97/784591597.db2.gz NJUWVDFHZSGFJO-HUUCEWRRSA-N 1 2 342.403 0.675 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)nn1)C[C@H](C)O2 ZINC001071164756 784638343 /nfs/dbraw/zinc/63/83/43/784638343.db2.gz RZTQUOPMMVZEEP-WFASDCNBSA-N 1 2 339.827 0.873 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)nn1)C[C@H](C)O2 ZINC001071164756 784638347 /nfs/dbraw/zinc/63/83/47/784638347.db2.gz RZTQUOPMMVZEEP-WFASDCNBSA-N 1 2 339.827 0.873 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cnnn1C)C[C@@H](C)O2 ZINC001071166684 784641775 /nfs/dbraw/zinc/64/17/75/784641775.db2.gz MBFTXNWHYWTHNK-IUODEOHRSA-N 1 2 339.827 0.873 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnnn1C)C[C@@H](C)O2 ZINC001071166684 784641784 /nfs/dbraw/zinc/64/17/84/784641784.db2.gz MBFTXNWHYWTHNK-IUODEOHRSA-N 1 2 339.827 0.873 20 30 ECEDLO C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CC1CS(=O)(=O)C1)C[C@H](C)O2 ZINC001071183967 784686122 /nfs/dbraw/zinc/68/61/22/784686122.db2.gz WBJQSFIZXYEQTB-XJKSGUPXSA-N 1 2 342.461 0.299 20 30 ECEDLO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC1CS(=O)(=O)C1)C[C@H](C)O2 ZINC001071183967 784686128 /nfs/dbraw/zinc/68/61/28/784686128.db2.gz WBJQSFIZXYEQTB-XJKSGUPXSA-N 1 2 342.461 0.299 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)c1nnn(C)n1)C[C@@H](C)O2 ZINC001071197208 784716290 /nfs/dbraw/zinc/71/62/90/784716290.db2.gz OPNVXTLMCWMUDR-RISCZKNCSA-N 1 2 340.815 0.268 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nnn(C)n1)C[C@@H](C)O2 ZINC001071197208 784716296 /nfs/dbraw/zinc/71/62/96/784716296.db2.gz OPNVXTLMCWMUDR-RISCZKNCSA-N 1 2 340.815 0.268 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CCOC3)C2)C(=O)C1 ZINC001071255031 784849479 /nfs/dbraw/zinc/84/94/79/784849479.db2.gz CNQNFRODJPKOIG-HZPDHXFCSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CCOC3)C2)C(=O)C1 ZINC001071255031 784849487 /nfs/dbraw/zinc/84/94/87/784849487.db2.gz CNQNFRODJPKOIG-HZPDHXFCSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3ocnc3C)C2)C(=O)C1 ZINC001071260065 784870509 /nfs/dbraw/zinc/87/05/09/784870509.db2.gz HHWICJYLTCISRT-HNNXBMFYSA-N 1 2 344.415 0.755 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3ocnc3C)C2)C(=O)C1 ZINC001071260065 784870515 /nfs/dbraw/zinc/87/05/15/784870515.db2.gz HHWICJYLTCISRT-HNNXBMFYSA-N 1 2 344.415 0.755 20 30 ECEDLO C=CCN1CCN([C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C(=O)C1 ZINC001071264115 784883356 /nfs/dbraw/zinc/88/33/56/784883356.db2.gz NVJCSWJDSYXLLS-HNNXBMFYSA-N 1 2 345.447 0.664 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3cncn3C)C2)C(=O)C1 ZINC001071267084 784892192 /nfs/dbraw/zinc/89/21/92/784892192.db2.gz DEUZOBJPAKLPKW-OAHLLOKOSA-N 1 2 343.431 0.192 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3cncn3C)C2)C(=O)C1 ZINC001071267084 784892196 /nfs/dbraw/zinc/89/21/96/784892196.db2.gz DEUZOBJPAKLPKW-OAHLLOKOSA-N 1 2 343.431 0.192 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)C3CC(OC)C3)C2)C(=O)C1 ZINC001071267766 784894049 /nfs/dbraw/zinc/89/40/49/784894049.db2.gz PVIFYPUGHZMTQP-AQFXKWCLSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)C3CC(OC)C3)C2)C(=O)C1 ZINC001071267766 784894055 /nfs/dbraw/zinc/89/40/55/784894055.db2.gz PVIFYPUGHZMTQP-AQFXKWCLSA-N 1 2 347.459 0.570 20 30 ECEDLO C=CCOCCCC(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001071875939 785255361 /nfs/dbraw/zinc/25/53/61/785255361.db2.gz ZYAMMDMPEXOLLK-GDBMZVCRSA-N 1 2 348.447 0.909 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3cnnn3C)C2)nn1 ZINC001071879748 785262192 /nfs/dbraw/zinc/26/21/92/785262192.db2.gz JTPNYJKEVQLHGG-OLZOCXBDSA-N 1 2 344.423 0.376 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3cnnn3C)C2)nn1 ZINC001071879748 785262199 /nfs/dbraw/zinc/26/21/99/785262199.db2.gz JTPNYJKEVQLHGG-OLZOCXBDSA-N 1 2 344.423 0.376 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3cncn3C)C2)nn1 ZINC001071880193 785263262 /nfs/dbraw/zinc/26/32/62/785263262.db2.gz PUEAGEDDMNKQFP-ZIAGYGMSSA-N 1 2 343.435 0.981 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3cncn3C)C2)nn1 ZINC001071880193 785263268 /nfs/dbraw/zinc/26/32/68/785263268.db2.gz PUEAGEDDMNKQFP-ZIAGYGMSSA-N 1 2 343.435 0.981 20 30 ECEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC[C@@H]1C ZINC001071908086 785309758 /nfs/dbraw/zinc/30/97/58/785309758.db2.gz MMAYXAKPVIXSCJ-STQMWFEESA-N 1 2 344.419 0.616 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC[C@@H]1C ZINC001071908086 785309768 /nfs/dbraw/zinc/30/97/68/785309768.db2.gz MMAYXAKPVIXSCJ-STQMWFEESA-N 1 2 344.419 0.616 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CN2C(=O)CN(C)C2=O)CC[C@@H]1C ZINC001072055332 785585677 /nfs/dbraw/zinc/58/56/77/785585677.db2.gz SOICLQFTUPCFRN-NWDGAFQWSA-N 1 2 342.827 0.602 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CN2C(=O)CN(C)C2=O)CC[C@@H]1C ZINC001072055332 785585687 /nfs/dbraw/zinc/58/56/87/785585687.db2.gz SOICLQFTUPCFRN-NWDGAFQWSA-N 1 2 342.827 0.602 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1NC(=O)CSCC#N ZINC001072510779 786302593 /nfs/dbraw/zinc/30/25/93/786302593.db2.gz RQOIJGJJNTYIKO-OLZOCXBDSA-N 1 2 349.460 0.573 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccn4nnnc34)C[C@H]21 ZINC001074251725 786520350 /nfs/dbraw/zinc/52/03/50/786520350.db2.gz BQUROIWBNDSGLT-HUUCEWRRSA-N 1 2 342.403 0.616 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccn4nnnc34)C[C@H]21 ZINC001074251725 786520353 /nfs/dbraw/zinc/52/03/53/786520353.db2.gz BQUROIWBNDSGLT-HUUCEWRRSA-N 1 2 342.403 0.616 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3cc(OC)no3)C[C@@H]21 ZINC001074256462 786527496 /nfs/dbraw/zinc/52/74/96/786527496.db2.gz TWSHJDCTAQAYQW-JKSUJKDBSA-N 1 2 347.415 0.941 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3cc(OC)no3)C[C@@H]21 ZINC001074256462 786527500 /nfs/dbraw/zinc/52/75/00/786527500.db2.gz TWSHJDCTAQAYQW-JKSUJKDBSA-N 1 2 347.415 0.941 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnc4[nH]cnc4c3)C[C@@H]21 ZINC001074259010 786533663 /nfs/dbraw/zinc/53/36/63/786533663.db2.gz GLSFFKOORMHWKD-JKSUJKDBSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnc4[nH]cnc4c3)C[C@@H]21 ZINC001074259010 786533668 /nfs/dbraw/zinc/53/36/68/786533668.db2.gz GLSFFKOORMHWKD-JKSUJKDBSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnn4c3CCC4)C[C@H]21 ZINC001074259386 786535224 /nfs/dbraw/zinc/53/52/24/786535224.db2.gz MFIBMPWOWWFPPD-SJORKVTESA-N 1 2 328.416 0.768 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnn4c3CCC4)C[C@H]21 ZINC001074259386 786535227 /nfs/dbraw/zinc/53/52/27/786535227.db2.gz MFIBMPWOWWFPPD-SJORKVTESA-N 1 2 328.416 0.768 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnc4n3CCOC4)C[C@H]21 ZINC001074268016 786549123 /nfs/dbraw/zinc/54/91/23/786549123.db2.gz BHJUVMHUJYZMJM-HZPDHXFCSA-N 1 2 344.415 0.352 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnc4n3CCOC4)C[C@H]21 ZINC001074268016 786549128 /nfs/dbraw/zinc/54/91/28/786549128.db2.gz BHJUVMHUJYZMJM-HZPDHXFCSA-N 1 2 344.415 0.352 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)COc3cc(C)on3)C[C@H]21 ZINC001074271952 786559362 /nfs/dbraw/zinc/55/93/62/786559362.db2.gz VBFKSQOOOGLWST-HUUCEWRRSA-N 1 2 333.388 0.687 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)COc3cc(C)on3)C[C@H]21 ZINC001074271952 786559371 /nfs/dbraw/zinc/55/93/71/786559371.db2.gz VBFKSQOOOGLWST-HUUCEWRRSA-N 1 2 333.388 0.687 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccnc4n[nH]nc43)C[C@H]21 ZINC001074291741 786608256 /nfs/dbraw/zinc/60/82/56/786608256.db2.gz JPSXPRJILCWLDE-KGLIPLIRSA-N 1 2 340.387 0.292 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccnc4n[nH]nc43)C[C@H]21 ZINC001074291741 786608260 /nfs/dbraw/zinc/60/82/60/786608260.db2.gz JPSXPRJILCWLDE-KGLIPLIRSA-N 1 2 340.387 0.292 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3ccc(=O)[nH]c3)C[C@@H]21 ZINC001074298849 786627153 /nfs/dbraw/zinc/62/71/53/786627153.db2.gz CCQFYBJMLXUOJM-HOTGVXAUSA-N 1 2 329.400 0.655 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3ccc(=O)[nH]c3)C[C@@H]21 ZINC001074298849 786627157 /nfs/dbraw/zinc/62/71/57/786627157.db2.gz CCQFYBJMLXUOJM-HOTGVXAUSA-N 1 2 329.400 0.655 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001073572268 786645329 /nfs/dbraw/zinc/64/53/29/786645329.db2.gz VVMRCGXISQDNGB-QWHCGFSZSA-N 1 2 329.828 0.472 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001073572268 786645341 /nfs/dbraw/zinc/64/53/41/786645341.db2.gz VVMRCGXISQDNGB-QWHCGFSZSA-N 1 2 329.828 0.472 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2COCCN2C)C1 ZINC001073578630 786665874 /nfs/dbraw/zinc/66/58/74/786665874.db2.gz RPSVYIGYMLVUCB-UONOGXRCSA-N 1 2 331.844 0.277 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2COCCN2C)C1 ZINC001073578630 786665882 /nfs/dbraw/zinc/66/58/82/786665882.db2.gz RPSVYIGYMLVUCB-UONOGXRCSA-N 1 2 331.844 0.277 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn(C)c2N)C1 ZINC001073580814 786675411 /nfs/dbraw/zinc/67/54/11/786675411.db2.gz LSDVEOBYIJDLHD-NSHDSACASA-N 1 2 327.816 0.576 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2cnn(C)c2N)C1 ZINC001073580814 786675418 /nfs/dbraw/zinc/67/54/18/786675418.db2.gz LSDVEOBYIJDLHD-NSHDSACASA-N 1 2 327.816 0.576 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)COC3CCOCC3)C[C@H]21 ZINC001074347795 786726004 /nfs/dbraw/zinc/72/60/04/786726004.db2.gz AZLMSVWOEYVVFP-SJORKVTESA-N 1 2 336.432 0.507 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)COC3CCOCC3)C[C@H]21 ZINC001074347795 786726011 /nfs/dbraw/zinc/72/60/11/786726011.db2.gz AZLMSVWOEYVVFP-SJORKVTESA-N 1 2 336.432 0.507 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCn3cnccc3=O)C[C@H]21 ZINC001074371946 786783975 /nfs/dbraw/zinc/78/39/75/786783975.db2.gz ORAOMFNEIQCPPX-CVEARBPZSA-N 1 2 346.431 0.511 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCn3cnccc3=O)C[C@H]21 ZINC001074371946 786783982 /nfs/dbraw/zinc/78/39/82/786783982.db2.gz ORAOMFNEIQCPPX-CVEARBPZSA-N 1 2 346.431 0.511 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001073629365 786809403 /nfs/dbraw/zinc/80/94/03/786809403.db2.gz AGMBUFFZOJSXGW-QWHCGFSZSA-N 1 2 329.828 0.424 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001073629365 786809411 /nfs/dbraw/zinc/80/94/11/786809411.db2.gz AGMBUFFZOJSXGW-QWHCGFSZSA-N 1 2 329.828 0.424 20 30 ECEDLO C=CCOc1ccccc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001073664829 786913478 /nfs/dbraw/zinc/91/34/78/786913478.db2.gz QAYWLPJEWSYMHR-CQSZACIVSA-N 1 2 347.415 0.557 20 30 ECEDLO C=CCOc1ccccc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001073664829 786913484 /nfs/dbraw/zinc/91/34/84/786913484.db2.gz QAYWLPJEWSYMHR-CQSZACIVSA-N 1 2 347.415 0.557 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2cc(=O)n3[nH]ccc3n2)[C@@H]1C ZINC001074567056 787276747 /nfs/dbraw/zinc/27/67/47/787276747.db2.gz SMYTXKKSDXGYQV-MDZLAQPJSA-N 1 2 328.376 0.261 20 30 ECEDLO C#CCC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001073886465 787436931 /nfs/dbraw/zinc/43/69/31/787436931.db2.gz PFQYYDPIFGTLHR-CQSZACIVSA-N 1 2 327.388 0.802 20 30 ECEDLO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001073886465 787436936 /nfs/dbraw/zinc/43/69/36/787436936.db2.gz PFQYYDPIFGTLHR-CQSZACIVSA-N 1 2 327.388 0.802 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001073901758 787482732 /nfs/dbraw/zinc/48/27/32/787482732.db2.gz DOJDIVPKKUMVPX-UONOGXRCSA-N 1 2 343.855 0.814 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001073901758 787482737 /nfs/dbraw/zinc/48/27/37/787482737.db2.gz DOJDIVPKKUMVPX-UONOGXRCSA-N 1 2 343.855 0.814 20 30 ECEDLO C#CCCCC(=O)NCC1(O)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001074647401 787498586 /nfs/dbraw/zinc/49/85/86/787498586.db2.gz WYURKIQJXSNAJQ-UHFFFAOYSA-N 1 2 346.431 0.236 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001074692778 787617043 /nfs/dbraw/zinc/61/70/43/787617043.db2.gz QCJZHHQUZVJFRD-UONOGXRCSA-N 1 2 348.447 0.880 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001074707409 787650560 /nfs/dbraw/zinc/65/05/60/787650560.db2.gz ZQGSIILNEKVCTJ-AWEZNQCLSA-N 1 2 347.419 0.293 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001074077433 787818677 /nfs/dbraw/zinc/81/86/77/787818677.db2.gz SRQPDVVSFOFBBN-ZBFHGGJFSA-N 1 2 348.447 0.909 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(C(=O)CSCC#N)C[C@H]1C ZINC001074090937 787859034 /nfs/dbraw/zinc/85/90/34/787859034.db2.gz RRVGRPUHFLLBSE-DGCLKSJQSA-N 1 2 349.460 0.871 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)CSCC#N ZINC001075129268 788948821 /nfs/dbraw/zinc/94/88/21/788948821.db2.gz GRWOMEASITVNCV-VXGBXAGGSA-N 1 2 335.433 0.705 20 30 ECEDLO N#CCN1CCC2(CN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C2)C1 ZINC001072911028 789093598 /nfs/dbraw/zinc/09/35/98/789093598.db2.gz HHRZOWUCQMTZLA-MRXNPFEDSA-N 1 2 332.448 0.688 20 30 ECEDLO N#CCN1CCC2(CN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)C2)C1 ZINC001072911028 789093609 /nfs/dbraw/zinc/09/36/09/789093609.db2.gz HHRZOWUCQMTZLA-MRXNPFEDSA-N 1 2 332.448 0.688 20 30 ECEDLO CC(C)C#CC(=O)N1CCC(C)(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001073008041 789266964 /nfs/dbraw/zinc/26/69/64/789266964.db2.gz KUEDQGSGRMXOIX-OAHLLOKOSA-N 1 2 335.448 0.474 20 30 ECEDLO CC(C)C#CC(=O)N1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001073008041 789266971 /nfs/dbraw/zinc/26/69/71/789266971.db2.gz KUEDQGSGRMXOIX-OAHLLOKOSA-N 1 2 335.448 0.474 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CCC(C)(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001073025737 789296855 /nfs/dbraw/zinc/29/68/55/789296855.db2.gz UMOYGDFOOHOLLO-HNNXBMFYSA-N 1 2 346.431 0.809 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC([C@H]2C[C@H](NCC#N)CCO2)CC1 ZINC001075397984 789324941 /nfs/dbraw/zinc/32/49/41/789324941.db2.gz VFLDZLBHQIUEDM-NVXWUHKLSA-N 1 2 345.447 0.862 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@@H+](CCS(C)(=O)=O)C3)nc1 ZINC001073134895 789504736 /nfs/dbraw/zinc/50/47/36/789504736.db2.gz XHLMNPLHJPKWLN-UHFFFAOYSA-N 1 2 347.440 0.255 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+](CCS(C)(=O)=O)C3)nc1 ZINC001073134895 789504744 /nfs/dbraw/zinc/50/47/44/789504744.db2.gz XHLMNPLHJPKWLN-UHFFFAOYSA-N 1 2 347.440 0.255 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@@H+](Cc2cnn(C)n2)C3)cn1 ZINC001073137802 789510911 /nfs/dbraw/zinc/51/09/11/789510911.db2.gz LTTSGDZNPBHPJU-UHFFFAOYSA-N 1 2 336.399 0.540 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+](Cc2cnn(C)n2)C3)cn1 ZINC001073137802 789510919 /nfs/dbraw/zinc/51/09/19/789510919.db2.gz LTTSGDZNPBHPJU-UHFFFAOYSA-N 1 2 336.399 0.540 20 30 ECEDLO N#Cc1nccc(N2CC[C@]3(NC(=O)Cn4cc[nH+]c4)CCC[C@@H]23)n1 ZINC001069269126 789720479 /nfs/dbraw/zinc/72/04/79/789720479.db2.gz QLHYHIQWMAQGJU-CXAGYDPISA-N 1 2 337.387 0.863 20 30 ECEDLO C[C@H]1[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1c1ccnc(C#N)n1 ZINC001069383327 789789276 /nfs/dbraw/zinc/78/92/76/789789276.db2.gz HSACUTSRRVAONP-NWDGAFQWSA-N 1 2 325.376 0.788 20 30 ECEDLO C[C@H]1[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1c1nccnc1C#N ZINC001069415411 789811268 /nfs/dbraw/zinc/81/12/68/789811268.db2.gz PKKOBVCYSDHGAD-WCQYABFASA-N 1 2 325.376 0.788 20 30 ECEDLO N#Cc1nccc(NC[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001069475167 789849533 /nfs/dbraw/zinc/84/95/33/789849533.db2.gz BXHYIABPABOOQT-CHWSQXEVSA-N 1 2 325.376 0.364 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@@H](CNc2ccnc(C#N)n2)C1 ZINC001069475288 789849981 /nfs/dbraw/zinc/84/99/81/789849981.db2.gz DOCBLRZUFPFVDI-OLZOCXBDSA-N 1 2 339.403 0.443 20 30 ECEDLO N#Cc1cnc(NC[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001069476148 789851193 /nfs/dbraw/zinc/85/11/93/789851193.db2.gz QRPUZNMHZUHIBS-OLZOCXBDSA-N 1 2 325.376 0.942 20 30 ECEDLO N#Cc1nccc(NC[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001069483111 789855419 /nfs/dbraw/zinc/85/54/19/789855419.db2.gz DNYZKHTVVQPZJN-NEPJUHHUSA-N 1 2 325.376 0.433 20 30 ECEDLO CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1Nc1ccnc(C#N)n1 ZINC001069574873 789911181 /nfs/dbraw/zinc/91/11/81/789911181.db2.gz YQFRPYBAPYRSFK-LBPRGKRZSA-N 1 2 325.376 0.316 20 30 ECEDLO CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1Nc1cncc(C#N)n1 ZINC001069620195 789935894 /nfs/dbraw/zinc/93/58/94/789935894.db2.gz ZNYXHTOIYCYHNH-ZDUSSCGKSA-N 1 2 325.376 0.963 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001069732191 789993972 /nfs/dbraw/zinc/99/39/72/789993972.db2.gz HIJZHUVQCVITBO-GOSISDBHSA-N 1 2 346.431 0.927 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001069732953 789994534 /nfs/dbraw/zinc/99/45/34/789994534.db2.gz VECIMTOAFCTVMU-GOSISDBHSA-N 1 2 346.431 0.996 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccnn2CC)[C@@H](n2ccnn2)C1 ZINC001069915026 790183745 /nfs/dbraw/zinc/18/37/45/790183745.db2.gz GYWBQZZNJZMDNT-HIFRSBDPSA-N 1 2 327.392 0.173 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccnn2CC)[C@@H](n2ccnn2)C1 ZINC001069915026 790183747 /nfs/dbraw/zinc/18/37/47/790183747.db2.gz GYWBQZZNJZMDNT-HIFRSBDPSA-N 1 2 327.392 0.173 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2nn(C)cc2Cl)[C@@H](n2ccnn2)C1 ZINC001069936659 790210221 /nfs/dbraw/zinc/21/02/21/790210221.db2.gz MZUCITDTSURLOZ-NEPJUHHUSA-N 1 2 335.799 0.506 20 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ZINC001068829609 791214766 /nfs/dbraw/zinc/21/47/66/791214766.db2.gz OLPNYHDQDWZKKL-VXGBXAGGSA-N 1 2 325.376 0.527 20 30 ECEDLO C=C(C)CCC(=O)N[C@H]1COC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001068891994 791355795 /nfs/dbraw/zinc/35/57/95/791355795.db2.gz YQABQXQRRITKHA-CQSZACIVSA-N 1 2 346.431 0.805 20 30 ECEDLO C[C@H]1C[C@H](Nc2cnc(C#N)cn2)CN1C(=O)Cc1c[nH+]cn1C ZINC001069122361 791722741 /nfs/dbraw/zinc/72/27/41/791722741.db2.gz RJROBKADAJPARR-RYUDHWBXSA-N 1 2 325.376 0.726 20 30 ECEDLO N#Cc1nccnc1N1CC[NH+]([C@@H]2CCN(C(=O)C3CC3)C2)CC1 ZINC001066693695 792008435 /nfs/dbraw/zinc/00/84/35/792008435.db2.gz DOAYORAIHQLHOG-CQSZACIVSA-N 1 2 326.404 0.481 20 30 ECEDLO N#Cc1nccnc1N1CC[NH+]([C@@H]2CCN(C(=O)CC3CC3)C2)CC1 ZINC001066696172 792011482 /nfs/dbraw/zinc/01/14/82/792011482.db2.gz BOOHGYACYMIGTN-OAHLLOKOSA-N 1 2 340.431 0.871 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001066698670 792019774 /nfs/dbraw/zinc/01/97/74/792019774.db2.gz NGYVSFJXMAQBFA-ZIAGYGMSSA-N 1 2 339.403 0.231 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1)c1nccnc1C#N ZINC001067771800 792260848 /nfs/dbraw/zinc/26/08/48/792260848.db2.gz GBJJXEFENWUQKN-GFCCVEGCSA-N 1 2 325.376 0.741 20 30 ECEDLO N#Cc1ccc(N[C@@]2(CO)CCCN(C(=O)Cn3cc[nH+]c3)C2)nc1 ZINC001066909525 792355078 /nfs/dbraw/zinc/35/50/78/792355078.db2.gz TUNWSVYLIZXJJQ-KRWDZBQOSA-N 1 2 340.387 0.615 20 30 ECEDLO Cc1cc(C#N)nc(NCC2CC(NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001067854998 792377501 /nfs/dbraw/zinc/37/75/01/792377501.db2.gz KWCRLLVKFNRAEJ-UHFFFAOYSA-N 1 2 325.376 0.860 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NC1CC(CNc2nccnc2C#N)C1 ZINC001067856913 792381781 /nfs/dbraw/zinc/38/17/81/792381781.db2.gz SCRRGEMIVHKRAL-UHFFFAOYSA-N 1 2 325.376 0.631 20 30 ECEDLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1Nc1nccnc1C#N ZINC001067123593 792721616 /nfs/dbraw/zinc/72/16/16/792721616.db2.gz WKAMOGFQBJSJOA-FZMZJTMJSA-N 1 2 325.376 0.583 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](Nc2cncc(C#N)n2)[C@@H](C)C1 ZINC001067127763 792728728 /nfs/dbraw/zinc/72/87/28/792728728.db2.gz SSLZXOGVDTVLGQ-HZMBPMFUSA-N 1 2 325.376 0.881 20 30 ECEDLO C[C@@H](Nc1ncccc1C#N)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001068234358 792885391 /nfs/dbraw/zinc/88/53/91/792885391.db2.gz GTFPEZFVXVNYJU-HIFRSBDPSA-N 1 2 340.387 0.878 20 30 ECEDLO C[C@@H](Nc1ccc(C#N)nc1)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001068235710 792891186 /nfs/dbraw/zinc/89/11/86/792891186.db2.gz YMZPPSIFAJHNJC-CJNGLKHVSA-N 1 2 340.387 0.878 20 30 ECEDLO C[C@@H](Nc1cncc(C#N)n1)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001068235830 792892553 /nfs/dbraw/zinc/89/25/53/792892553.db2.gz AZJFFHWLESUNDL-DGCLKSJQSA-N 1 2 341.375 0.342 20 30 ECEDLO C[C@@H]1C[C@H](CNc2ccnc(C#N)n2)CN1C(=O)Cn1cc[nH+]c1 ZINC001068334861 793070041 /nfs/dbraw/zinc/07/00/41/793070041.db2.gz CWIURTHUNCWNGV-CHWSQXEVSA-N 1 2 325.376 0.316 20 30 ECEDLO C[C@@H]1C[C@H](CNc2ccnc(C#N)n2)CN1C(=O)Cc1c[nH+]cn1C ZINC001068339481 793078884 /nfs/dbraw/zinc/07/88/84/793078884.db2.gz XOLCDRNRYJBLAC-CHWSQXEVSA-N 1 2 339.403 0.395 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067439724 793162320 /nfs/dbraw/zinc/16/23/20/793162320.db2.gz FTTRHXMXDIMPKM-YPMHNXCESA-N 1 2 325.376 0.645 20 30 ECEDLO C#CCCCC(=O)N1CCOC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001068388408 793179008 /nfs/dbraw/zinc/17/90/08/793179008.db2.gz BZYYXZPONZDHFJ-UHFFFAOYSA-N 1 2 344.415 0.517 20 30 ECEDLO CCCN(C(=O)CCc1cn[nH]c1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267487210 837549204 /nfs/dbraw/zinc/54/92/04/837549204.db2.gz BMZUSNYWOSQXEU-OAHLLOKOSA-N 1 2 346.435 0.295 20 30 ECEDLO CCCN(C(=O)CCc1cn[nH]c1)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267487210 837549214 /nfs/dbraw/zinc/54/92/14/837549214.db2.gz BMZUSNYWOSQXEU-OAHLLOKOSA-N 1 2 346.435 0.295 20 30 ECEDLO CCCN(C(=O)c1[nH]ccc1C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267540985 837726466 /nfs/dbraw/zinc/72/64/66/837726466.db2.gz SBESHHQGUNNINR-CQSZACIVSA-N 1 2 331.420 0.889 20 30 ECEDLO CCCN(C(=O)c1[nH]ccc1C)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267540985 837726473 /nfs/dbraw/zinc/72/64/73/837726473.db2.gz SBESHHQGUNNINR-CQSZACIVSA-N 1 2 331.420 0.889 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N(C)CC[NH+]1CCN(CCn2cccn2)CC1 ZINC001267572015 837806695 /nfs/dbraw/zinc/80/66/95/837806695.db2.gz DEJQEPRLWWECMK-SFHVURJKSA-N 1 2 349.479 0.286 20 30 ECEDLO CC#CCCCC(=O)N(C)CCN1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001267574324 837819866 /nfs/dbraw/zinc/81/98/66/837819866.db2.gz CKHDSTVXKSFXQO-QGZVFWFLSA-N 1 2 348.491 0.487 20 30 ECEDLO CC#CCCCC(=O)N(C)CC[NH+]1CCN([C@@H]2CCN(C)C2=O)CC1 ZINC001267574324 837819877 /nfs/dbraw/zinc/81/98/77/837819877.db2.gz CKHDSTVXKSFXQO-QGZVFWFLSA-N 1 2 348.491 0.487 20 30 ECEDLO C#CCN1CC[NH+](CCN(C)C(=O)c2ccc3c(c2)CCO3)CC1 ZINC001267574327 837820637 /nfs/dbraw/zinc/82/06/37/837820637.db2.gz CLMGDMVMYJIXQO-UHFFFAOYSA-N 1 2 327.428 0.944 20 30 ECEDLO CCC1(C(=O)N(C)CC[NH+]2CCN(CC(=O)NCC#N)CC2)CCC1 ZINC001267574568 837822306 /nfs/dbraw/zinc/82/23/06/837822306.db2.gz LXECDBHXMVWBMK-UHFFFAOYSA-N 1 2 349.479 0.282 20 30 ECEDLO CCCC(=O)N1CCC[C@H]1C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001267578013 837833174 /nfs/dbraw/zinc/83/31/74/837833174.db2.gz UYLQIGZIHOFFJL-INIZCTEOSA-N 1 2 349.479 0.377 20 30 ECEDLO C#CCCCC(=O)NCCCN1CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC001266263140 835574898 /nfs/dbraw/zinc/57/48/98/835574898.db2.gz VWRMGDIBDFTJDP-MRXNPFEDSA-N 1 2 336.480 0.391 20 30 ECEDLO C#CCCOc1ccc(C(=O)NCC[N@@H+](C)CC(=O)N2CCC2)cc1 ZINC001266275274 835598858 /nfs/dbraw/zinc/59/88/58/835598858.db2.gz SXUSVPOIVNZXBV-UHFFFAOYSA-N 1 2 343.427 0.983 20 30 ECEDLO C#CCCOc1ccc(C(=O)NCC[N@H+](C)CC(=O)N2CCC2)cc1 ZINC001266275274 835598862 /nfs/dbraw/zinc/59/88/62/835598862.db2.gz SXUSVPOIVNZXBV-UHFFFAOYSA-N 1 2 343.427 0.983 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1ccn(C2CCCC2)n1 ZINC001266278905 835605245 /nfs/dbraw/zinc/60/52/45/835605245.db2.gz WAKRJVKYPVSHNR-UHFFFAOYSA-N 1 2 331.420 0.409 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccn(C2CCCC2)n1 ZINC001266278905 835605246 /nfs/dbraw/zinc/60/52/46/835605246.db2.gz WAKRJVKYPVSHNR-UHFFFAOYSA-N 1 2 331.420 0.409 20 30 ECEDLO CCc1nc(C(=O)NCCN2CC[NH+](CC#CCOC)CC2)c(C)o1 ZINC001266294990 835641641 /nfs/dbraw/zinc/64/16/41/835641641.db2.gz RVGRSSJMSVKDCK-UHFFFAOYSA-N 1 2 348.447 0.543 20 30 ECEDLO CN(C)c1ccc(C(=O)NCC[NH+]2CCN(CC#N)CC2)cc1F ZINC001266297955 835650118 /nfs/dbraw/zinc/65/01/18/835650118.db2.gz ZGBOSUMFKBNJLC-UHFFFAOYSA-N 1 2 333.411 0.763 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCC[N@@H+](C)CC(=O)NC[C@@H]1CCOC1 ZINC001266306209 835670289 /nfs/dbraw/zinc/67/02/89/835670289.db2.gz HNSJHYTXOKQDNK-AWEZNQCLSA-N 1 2 325.453 0.789 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCC[N@H+](C)CC(=O)NC[C@@H]1CCOC1 ZINC001266306209 835670291 /nfs/dbraw/zinc/67/02/91/835670291.db2.gz HNSJHYTXOKQDNK-AWEZNQCLSA-N 1 2 325.453 0.789 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2sc(C)nc2C)C1 ZINC001266331079 835711587 /nfs/dbraw/zinc/71/15/87/835711587.db2.gz LZPDCWZBYQUBGX-CYBMUJFWSA-N 1 2 334.445 0.242 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2sc(C)nc2C)C1 ZINC001266331079 835711592 /nfs/dbraw/zinc/71/15/92/835711592.db2.gz LZPDCWZBYQUBGX-CYBMUJFWSA-N 1 2 334.445 0.242 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c(C)cc(F)cc2C)C1 ZINC001266333238 835714339 /nfs/dbraw/zinc/71/43/39/835714339.db2.gz JHXOFFYDRZBDRQ-HNNXBMFYSA-N 1 2 331.391 0.996 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c(C)cc(F)cc2C)C1 ZINC001266333238 835714344 /nfs/dbraw/zinc/71/43/44/835714344.db2.gz JHXOFFYDRZBDRQ-HNNXBMFYSA-N 1 2 331.391 0.996 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)CC)C2)nn1 ZINC001266348187 835741667 /nfs/dbraw/zinc/74/16/67/835741667.db2.gz XNXQLLWXPWKUEU-ZDUSSCGKSA-N 1 2 334.424 0.137 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)CC)C2)nn1 ZINC001266348187 835741671 /nfs/dbraw/zinc/74/16/71/835741671.db2.gz XNXQLLWXPWKUEU-ZDUSSCGKSA-N 1 2 334.424 0.137 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c(C)nn(CCC)c2C)C1 ZINC001266349547 835744745 /nfs/dbraw/zinc/74/47/45/835744745.db2.gz ISMGQWOTPKFNEH-HNNXBMFYSA-N 1 2 345.447 0.463 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c(C)nn(CCC)c2C)C1 ZINC001266349547 835744751 /nfs/dbraw/zinc/74/47/51/835744751.db2.gz ISMGQWOTPKFNEH-HNNXBMFYSA-N 1 2 345.447 0.463 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1ccc(NC(N)=O)cc1 ZINC001266357463 835762378 /nfs/dbraw/zinc/76/23/78/835762378.db2.gz ZPEQGAMHBBKKAH-UHFFFAOYSA-N 1 2 333.392 0.141 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccc(NC(N)=O)cc1 ZINC001266357463 835762384 /nfs/dbraw/zinc/76/23/84/835762384.db2.gz ZPEQGAMHBBKKAH-UHFFFAOYSA-N 1 2 333.392 0.141 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C#CC(C)(C)C ZINC001266461634 835863336 /nfs/dbraw/zinc/86/33/36/835863336.db2.gz SOGCWXXBNGYEQH-AWEZNQCLSA-N 1 2 348.447 0.628 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C#CC(C)(C)C ZINC001266461634 835863341 /nfs/dbraw/zinc/86/33/41/835863341.db2.gz SOGCWXXBNGYEQH-AWEZNQCLSA-N 1 2 348.447 0.628 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](F)CC ZINC001266477779 835879542 /nfs/dbraw/zinc/87/95/42/835879542.db2.gz VHPTYOAZSUFFTF-VXGBXAGGSA-N 1 2 328.388 0.327 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](F)CC ZINC001266477779 835879547 /nfs/dbraw/zinc/87/95/47/835879547.db2.gz VHPTYOAZSUFFTF-VXGBXAGGSA-N 1 2 328.388 0.327 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)SC ZINC001266484171 835883765 /nfs/dbraw/zinc/88/37/65/835883765.db2.gz QZGLRIOPOQLGJV-BARDWOONSA-N 1 2 337.489 0.941 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)SC ZINC001266484171 835883771 /nfs/dbraw/zinc/88/37/71/835883771.db2.gz QZGLRIOPOQLGJV-BARDWOONSA-N 1 2 337.489 0.941 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(F)cc1F ZINC001266492359 835893470 /nfs/dbraw/zinc/89/34/70/835893470.db2.gz NNCKYGJUGSEDSG-LBPRGKRZSA-N 1 2 336.342 0.799 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(F)cc1F ZINC001266492359 835893477 /nfs/dbraw/zinc/89/34/77/835893477.db2.gz NNCKYGJUGSEDSG-LBPRGKRZSA-N 1 2 336.342 0.799 20 30 ECEDLO C=CCOCC(=O)NC[C@@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC001266505392 835906297 /nfs/dbraw/zinc/90/62/97/835906297.db2.gz JQKGXLNTOSLKOG-SUMWQHHRSA-N 1 2 349.406 0.993 20 30 ECEDLO C=CCOCC(=O)NC[C@@H]1CC[N@H+]([C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC001266505392 835906308 /nfs/dbraw/zinc/90/63/08/835906308.db2.gz JQKGXLNTOSLKOG-SUMWQHHRSA-N 1 2 349.406 0.993 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@H]1CC[N@@H+](Cc2ncnn2CCC)C1 ZINC001266512083 835920743 /nfs/dbraw/zinc/92/07/43/835920743.db2.gz XLEBTGKLQGTMCD-RHSMWYFYSA-N 1 2 335.452 0.953 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@H]1CC[N@H+](Cc2ncnn2CCC)C1 ZINC001266512083 835920747 /nfs/dbraw/zinc/92/07/47/835920747.db2.gz XLEBTGKLQGTMCD-RHSMWYFYSA-N 1 2 335.452 0.953 20 30 ECEDLO Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=O)NCC#N)n1C ZINC001266833708 836358611 /nfs/dbraw/zinc/35/86/11/836358611.db2.gz WWLILRYCISWBPI-AWEZNQCLSA-N 1 2 331.420 0.558 20 30 ECEDLO Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(=O)NCC#N)n1C ZINC001266833708 836358625 /nfs/dbraw/zinc/35/86/25/836358625.db2.gz WWLILRYCISWBPI-AWEZNQCLSA-N 1 2 331.420 0.558 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccn(CC)n1 ZINC001266855441 836388842 /nfs/dbraw/zinc/38/88/42/836388842.db2.gz BVILMRUCAGWTEQ-AWEZNQCLSA-N 1 2 331.420 0.237 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccn(CC)n1 ZINC001266855441 836388855 /nfs/dbraw/zinc/38/88/55/836388855.db2.gz BVILMRUCAGWTEQ-AWEZNQCLSA-N 1 2 331.420 0.237 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC001266855504 836389524 /nfs/dbraw/zinc/38/95/24/836389524.db2.gz DHSBUTGVIJMCMO-ZNMIVQPWSA-N 1 2 334.420 0.188 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC001266855504 836389536 /nfs/dbraw/zinc/38/95/36/836389536.db2.gz DHSBUTGVIJMCMO-ZNMIVQPWSA-N 1 2 334.420 0.188 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cnoc1-c1ccco1 ZINC001267203235 836979864 /nfs/dbraw/zinc/97/98/64/836979864.db2.gz QCDADEYYPQTRQZ-UHFFFAOYSA-N 1 2 332.360 0.898 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cnoc1-c1ccco1 ZINC001267203235 836979870 /nfs/dbraw/zinc/97/98/70/836979870.db2.gz QCDADEYYPQTRQZ-UHFFFAOYSA-N 1 2 332.360 0.898 20 30 ECEDLO Cc1c(F)cccc1C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001267266185 837103681 /nfs/dbraw/zinc/10/36/81/837103681.db2.gz AYVSTLHZWJJRFO-ZDUSSCGKSA-N 1 2 332.379 0.968 20 30 ECEDLO Cc1c(F)cccc1C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001267266185 837103687 /nfs/dbraw/zinc/10/36/87/837103687.db2.gz AYVSTLHZWJJRFO-ZDUSSCGKSA-N 1 2 332.379 0.968 20 30 ECEDLO CCCc1[nH]ccc1C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001267272338 837113905 /nfs/dbraw/zinc/11/39/05/837113905.db2.gz MEFXROCSJCVTRH-CYBMUJFWSA-N 1 2 331.420 0.801 20 30 ECEDLO CCCc1[nH]ccc1C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001267272338 837113908 /nfs/dbraw/zinc/11/39/08/837113908.db2.gz MEFXROCSJCVTRH-CYBMUJFWSA-N 1 2 331.420 0.801 20 30 ECEDLO C#CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)NC(=O)NC ZINC001267401966 837344492 /nfs/dbraw/zinc/34/44/92/837344492.db2.gz XHUSQTYDGDEHTD-KFWWJZLASA-N 1 2 348.447 0.699 20 30 ECEDLO C#CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)NC(=O)NC ZINC001267401966 837344504 /nfs/dbraw/zinc/34/45/04/837344504.db2.gz XHUSQTYDGDEHTD-KFWWJZLASA-N 1 2 348.447 0.699 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)CC1CC1 ZINC001267405941 837375141 /nfs/dbraw/zinc/37/51/41/837375141.db2.gz RWJNOTNAIFAJFV-CALCHBBNSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)CC1CC1 ZINC001267405941 837375155 /nfs/dbraw/zinc/37/51/55/837375155.db2.gz RWJNOTNAIFAJFV-CALCHBBNSA-N 1 2 347.459 0.570 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CCN(C)C(=O)c2cccn2C)CC1 ZINC001267604837 837938574 /nfs/dbraw/zinc/93/85/74/837938574.db2.gz GHZBVCZKCNKPPN-UHFFFAOYSA-N 1 2 347.463 0.017 20 30 ECEDLO C=CCN1CC[NH+](CCN(C)C(=O)C[C@H]2CCOC[C@H]2OC)CC1 ZINC001267607372 837949916 /nfs/dbraw/zinc/94/99/16/837949916.db2.gz GZUZSFZUYSTARA-IAGOWNOFSA-N 1 2 339.480 0.690 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)c1ccn(C(F)F)n1 ZINC001267607483 837950512 /nfs/dbraw/zinc/95/05/12/837950512.db2.gz KATDPAYFEDQGQC-UHFFFAOYSA-N 1 2 326.351 0.491 20 30 ECEDLO CN(CCN1CC[NH+](CC(=O)N(C)C2CC2)CC1)C(=O)C#CC1CC1 ZINC001267607358 837950565 /nfs/dbraw/zinc/95/05/65/837950565.db2.gz GHDHCCJSJPIFPF-UHFFFAOYSA-N 1 2 346.475 0.097 20 30 ECEDLO C=CCN1CC[NH+](CCN(C)C(=O)c2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC001267607460 837950605 /nfs/dbraw/zinc/95/06/05/837950605.db2.gz JKVGNNGDQBZTCM-UHFFFAOYSA-N 1 2 345.447 0.935 20 30 ECEDLO C#CC[NH+]1CCN(CCN(C)C(=O)Cc2c(C)cc(C)[nH]c2=O)CC1 ZINC001267609375 837969891 /nfs/dbraw/zinc/96/98/91/837969891.db2.gz YDPLYRJBTAWGRP-UHFFFAOYSA-N 1 2 344.459 0.656 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cc(C3CC3)n(C)n2)C1 ZINC001267613435 837985896 /nfs/dbraw/zinc/98/58/96/837985896.db2.gz IVYFAACFRSONOE-CQSZACIVSA-N 1 2 343.431 0.241 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C3CC3)n(C)n2)C1 ZINC001267613435 837985906 /nfs/dbraw/zinc/98/59/06/837985906.db2.gz IVYFAACFRSONOE-CQSZACIVSA-N 1 2 343.431 0.241 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)CNC(=O)NC)C1 ZINC001420036058 838045984 /nfs/dbraw/zinc/04/59/84/838045984.db2.gz QBUXKDHHAKXUIK-NSHDSACASA-N 1 2 347.257 0.747 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)CNC(=O)NC)C1 ZINC001420036058 838045996 /nfs/dbraw/zinc/04/59/96/838045996.db2.gz QBUXKDHHAKXUIK-NSHDSACASA-N 1 2 347.257 0.747 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cnn(C(C)C)c2)C1 ZINC001267619413 838054927 /nfs/dbraw/zinc/05/49/27/838054927.db2.gz KYKQXRSQSCUIKF-OAHLLOKOSA-N 1 2 333.436 0.960 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cnn(C(C)C)c2)C1 ZINC001267619413 838054940 /nfs/dbraw/zinc/05/49/40/838054940.db2.gz KYKQXRSQSCUIKF-OAHLLOKOSA-N 1 2 333.436 0.960 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2c[nH]cc2C)C1 ZINC001267622386 838062929 /nfs/dbraw/zinc/06/29/29/838062929.db2.gz XVNPRWZQDSGSHX-CYBMUJFWSA-N 1 2 347.419 0.529 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]cc2C)C1 ZINC001267622386 838062938 /nfs/dbraw/zinc/06/29/38/838062938.db2.gz XVNPRWZQDSGSHX-CYBMUJFWSA-N 1 2 347.419 0.529 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)/C(C)=C/C)C1 ZINC001267624124 838069329 /nfs/dbraw/zinc/06/93/29/838069329.db2.gz RAAFZIBQPKJOFB-DCOFTTSXSA-N 1 2 336.436 0.934 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)/C(C)=C/C)C1 ZINC001267624124 838069340 /nfs/dbraw/zinc/06/93/40/838069340.db2.gz RAAFZIBQPKJOFB-DCOFTTSXSA-N 1 2 336.436 0.934 20 30 ECEDLO CC(C)C#CC(=O)N[C@H]1CCC[N@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001267626263 838075767 /nfs/dbraw/zinc/07/57/67/838075767.db2.gz RKXGHIFANXAWKF-CABCVRRESA-N 1 2 326.462 0.661 20 30 ECEDLO CC(C)C#CC(=O)N[C@H]1CCC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001267626263 838075782 /nfs/dbraw/zinc/07/57/82/838075782.db2.gz RKXGHIFANXAWKF-CABCVRRESA-N 1 2 326.462 0.661 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC1C[NH+](C[C@@H](O)COc2ccccc2C)C1 ZINC001267642788 838125207 /nfs/dbraw/zinc/12/52/07/838125207.db2.gz CDQMEQPMYLTORH-VQIMIIECSA-N 1 2 348.443 0.862 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[NH+]1CC(CNC(=O)c2cnccn2)C1 ZINC001267674226 838219952 /nfs/dbraw/zinc/21/99/52/838219952.db2.gz VPTQYYRZBOLWPY-UHFFFAOYSA-N 1 2 331.420 0.563 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2cccn2C)C1 ZINC001267674357 838220034 /nfs/dbraw/zinc/22/00/34/838220034.db2.gz COKKENSNEHDSGV-GFCCVEGCSA-N 1 2 347.419 0.087 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C[C@@H](C)n2cccn2)C1 ZINC001267695931 838284156 /nfs/dbraw/zinc/28/41/56/838284156.db2.gz MNRUZNQOAMJZRW-KGLIPLIRSA-N 1 2 331.420 0.020 20 30 ECEDLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CSCC#N)C1 ZINC001267719351 838372376 /nfs/dbraw/zinc/37/23/76/838372376.db2.gz WRYVCVGBFYSGIH-STQMWFEESA-N 1 2 326.466 0.594 20 30 ECEDLO CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@H](NC(=O)CSCC#N)C1 ZINC001267719351 838372384 /nfs/dbraw/zinc/37/23/84/838372384.db2.gz WRYVCVGBFYSGIH-STQMWFEESA-N 1 2 326.466 0.594 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncccc2NC(C)=O)C1 ZINC001267726220 838398949 /nfs/dbraw/zinc/39/89/49/838398949.db2.gz WLXSNCLFCZJBJU-ZDUSSCGKSA-N 1 2 345.403 0.146 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncccc2NC(C)=O)C1 ZINC001267726220 838398956 /nfs/dbraw/zinc/39/89/56/838398956.db2.gz WLXSNCLFCZJBJU-ZDUSSCGKSA-N 1 2 345.403 0.146 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccc(OC)nc2)C1 ZINC001267726844 838406525 /nfs/dbraw/zinc/40/65/25/838406525.db2.gz VWGFZHCOVWKVHR-JSGCOSHPSA-N 1 2 330.388 0.032 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2ccc(OC)nc2)C1 ZINC001267726844 838406530 /nfs/dbraw/zinc/40/65/30/838406530.db2.gz VWGFZHCOVWKVHR-JSGCOSHPSA-N 1 2 330.388 0.032 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2csc(CC)n2)C1 ZINC001267734847 838429042 /nfs/dbraw/zinc/42/90/42/838429042.db2.gz BMPGNYDMCJABRM-LBPRGKRZSA-N 1 2 334.445 0.188 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2csc(CC)n2)C1 ZINC001267734847 838429047 /nfs/dbraw/zinc/42/90/47/838429047.db2.gz BMPGNYDMCJABRM-LBPRGKRZSA-N 1 2 334.445 0.188 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cnn(C3CCC3)c2)C1 ZINC001267741522 838441786 /nfs/dbraw/zinc/44/17/86/838441786.db2.gz BQFABKQSDPEDLS-UKRRQHHQSA-N 1 2 343.431 0.550 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cnn(C3CCC3)c2)C1 ZINC001267741522 838441790 /nfs/dbraw/zinc/44/17/90/838441790.db2.gz BQFABKQSDPEDLS-UKRRQHHQSA-N 1 2 343.431 0.550 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc3ccccc3nn2)C1 ZINC001267746614 838452850 /nfs/dbraw/zinc/45/28/50/838452850.db2.gz NDGSOSPZAOVAJL-CQSZACIVSA-N 1 2 337.383 0.183 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc3ccccc3nn2)C1 ZINC001267746614 838452854 /nfs/dbraw/zinc/45/28/54/838452854.db2.gz NDGSOSPZAOVAJL-CQSZACIVSA-N 1 2 337.383 0.183 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2coc(CC3CC3)n2)C1 ZINC001267751254 838471836 /nfs/dbraw/zinc/47/18/36/838471836.db2.gz PNBZOUZCOOBJFN-CYBMUJFWSA-N 1 2 332.404 0.733 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2coc(CC3CC3)n2)C1 ZINC001267751254 838471840 /nfs/dbraw/zinc/47/18/40/838471840.db2.gz PNBZOUZCOOBJFN-CYBMUJFWSA-N 1 2 332.404 0.733 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)Oc2cccc(C)c2)C1 ZINC001267754362 838476719 /nfs/dbraw/zinc/47/67/19/838476719.db2.gz FQRALTBARRHRCW-HZPDHXFCSA-N 1 2 343.427 0.702 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)Oc2cccc(C)c2)C1 ZINC001267754362 838476724 /nfs/dbraw/zinc/47/67/24/838476724.db2.gz FQRALTBARRHRCW-HZPDHXFCSA-N 1 2 343.427 0.702 20 30 ECEDLO COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C(N)=O)s2)C1 ZINC001267774595 838537126 /nfs/dbraw/zinc/53/71/26/838537126.db2.gz XRTVQEGLSZZCMA-LBPRGKRZSA-N 1 2 335.429 0.643 20 30 ECEDLO COCC#CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C(N)=O)s2)C1 ZINC001267774595 838537133 /nfs/dbraw/zinc/53/71/33/838537133.db2.gz XRTVQEGLSZZCMA-LBPRGKRZSA-N 1 2 335.429 0.643 20 30 ECEDLO CCOc1ncccc1C(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267776118 838539097 /nfs/dbraw/zinc/53/90/97/838539097.db2.gz FGFHNOOHVCAPKW-CYBMUJFWSA-N 1 2 345.403 0.266 20 30 ECEDLO CCOc1ncccc1C(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267776118 838539101 /nfs/dbraw/zinc/53/91/01/838539101.db2.gz FGFHNOOHVCAPKW-CYBMUJFWSA-N 1 2 345.403 0.266 20 30 ECEDLO CCN(C(=O)C[C@@H]1CCCCO1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267785736 838561300 /nfs/dbraw/zinc/56/13/00/838561300.db2.gz QGMWLNBIPDEFQD-CABCVRRESA-N 1 2 336.436 0.508 20 30 ECEDLO CCN(C(=O)C[C@@H]1CCCCO1)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267785736 838561309 /nfs/dbraw/zinc/56/13/09/838561309.db2.gz QGMWLNBIPDEFQD-CABCVRRESA-N 1 2 336.436 0.508 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CCC[N@H+](CCCS(C)(=O)=O)C1 ZINC001267931102 838811651 /nfs/dbraw/zinc/81/16/51/838811651.db2.gz JTTGOLKZOWLQET-ZIAGYGMSSA-N 1 2 330.450 0.040 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](CCCS(C)(=O)=O)C1 ZINC001267931102 838811663 /nfs/dbraw/zinc/81/16/63/838811663.db2.gz JTTGOLKZOWLQET-ZIAGYGMSSA-N 1 2 330.450 0.040 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1C[N@H+](CCc2cnn(CC)c2)CCO1 ZINC001268022551 839000668 /nfs/dbraw/zinc/00/06/68/839000668.db2.gz UNDHBQIZGHJAMU-NVXWUHKLSA-N 1 2 348.447 0.301 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1C[N@@H+](CCc2cnn(CC)c2)CCO1 ZINC001268022551 839000680 /nfs/dbraw/zinc/00/06/80/839000680.db2.gz UNDHBQIZGHJAMU-NVXWUHKLSA-N 1 2 348.447 0.301 20 30 ECEDLO C=CCOCC[N@@H+]1CCO[C@H](CNC(=O)c2cncc(OC)n2)C1 ZINC001268024841 839016474 /nfs/dbraw/zinc/01/64/74/839016474.db2.gz DDPXNLHZAJYBKZ-CYBMUJFWSA-N 1 2 336.392 0.118 20 30 ECEDLO C=CCOCC[N@H+]1CCO[C@H](CNC(=O)c2cncc(OC)n2)C1 ZINC001268024841 839016485 /nfs/dbraw/zinc/01/64/85/839016485.db2.gz DDPXNLHZAJYBKZ-CYBMUJFWSA-N 1 2 336.392 0.118 20 30 ECEDLO C=C1CC(C)(C(=O)NC[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)CCO2)C1 ZINC001268025538 839022189 /nfs/dbraw/zinc/02/21/89/839022189.db2.gz ITFFFVUNTIJPBY-LSDHHAIUSA-N 1 2 345.447 0.939 20 30 ECEDLO C=C1CC(C)(C(=O)NC[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)CCO2)C1 ZINC001268025538 839022197 /nfs/dbraw/zinc/02/21/97/839022197.db2.gz ITFFFVUNTIJPBY-LSDHHAIUSA-N 1 2 345.447 0.939 20 30 ECEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)CNC(=O)Cc2ccccc2)C1 ZINC001268029850 839048083 /nfs/dbraw/zinc/04/80/83/839048083.db2.gz ZXYLWMWWPUVEPG-MRXNPFEDSA-N 1 2 331.416 0.348 20 30 ECEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)CNC(=O)Cc2ccccc2)C1 ZINC001268029850 839048096 /nfs/dbraw/zinc/04/80/96/839048096.db2.gz ZXYLWMWWPUVEPG-MRXNPFEDSA-N 1 2 331.416 0.348 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+](CCOCC=C)CCO2)cn1 ZINC001268030420 839050609 /nfs/dbraw/zinc/05/06/09/839050609.db2.gz RBEDASHVVBGXJI-KRWDZBQOSA-N 1 2 329.400 0.696 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](CCOCC=C)CCO2)cn1 ZINC001268030420 839050618 /nfs/dbraw/zinc/05/06/18/839050618.db2.gz RBEDASHVVBGXJI-KRWDZBQOSA-N 1 2 329.400 0.696 20 30 ECEDLO CC[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(F)cc2C#N)CCO1 ZINC000427895702 210230345 /nfs/dbraw/zinc/23/03/45/210230345.db2.gz OMUWFYRFTBZXEI-CQSZACIVSA-N 1 2 348.378 0.863 20 30 ECEDLO CC[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(F)cc2C#N)CCO1 ZINC000427895702 210230347 /nfs/dbraw/zinc/23/03/47/210230347.db2.gz OMUWFYRFTBZXEI-CQSZACIVSA-N 1 2 348.378 0.863 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](CCN3C(=O)CNC3=O)CC2)c(F)c1 ZINC000101558303 219136803 /nfs/dbraw/zinc/13/68/03/219136803.db2.gz DSUYZOUWPOWTLC-UHFFFAOYSA-N 1 2 331.351 0.371 20 30 ECEDLO N#Cc1ncn(CC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)n1 ZINC000425951932 210125791 /nfs/dbraw/zinc/12/57/91/210125791.db2.gz NYYUVOHDSFXMCC-HNNXBMFYSA-N 1 2 340.387 0.339 20 30 ECEDLO C=CC[N@@H+](CCC(=O)Nc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 ZINC000066560639 215054395 /nfs/dbraw/zinc/05/43/95/215054395.db2.gz QODGDHSAKDPNHO-GFCCVEGCSA-N 1 2 327.406 0.987 20 30 ECEDLO C=CC[N@H+](CCC(=O)Nc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 ZINC000066560639 215054399 /nfs/dbraw/zinc/05/43/99/215054399.db2.gz QODGDHSAKDPNHO-GFCCVEGCSA-N 1 2 327.406 0.987 20 30 ECEDLO CN1CCO[C@@H]2C[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C[C@@H]21 ZINC000154473856 283015610 /nfs/dbraw/zinc/01/56/10/283015610.db2.gz TXISMLOESNDBBT-HZSPNIEDSA-N 1 2 332.429 0.740 20 30 ECEDLO CN1CCO[C@@H]2C[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C[C@@H]21 ZINC000154473856 283015613 /nfs/dbraw/zinc/01/56/13/283015613.db2.gz TXISMLOESNDBBT-HZSPNIEDSA-N 1 2 332.429 0.740 20 30 ECEDLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)CC(C)(C)CC#N)[C@H](C)C1 ZINC000451372787 291027682 /nfs/dbraw/zinc/02/76/82/291027682.db2.gz HHYYOEVNFZVHIQ-CYBMUJFWSA-N 1 2 345.465 0.825 20 30 ECEDLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)CC(C)(C)CC#N)[C@H](C)C1 ZINC000451372787 291027686 /nfs/dbraw/zinc/02/76/86/291027686.db2.gz HHYYOEVNFZVHIQ-CYBMUJFWSA-N 1 2 345.465 0.825 20 30 ECEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247178782 243385711 /nfs/dbraw/zinc/38/57/11/243385711.db2.gz RPHPQTCJXWJRQK-BXUZGUMPSA-N 1 2 336.417 0.509 20 30 ECEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247178782 243385716 /nfs/dbraw/zinc/38/57/16/243385716.db2.gz RPHPQTCJXWJRQK-BXUZGUMPSA-N 1 2 336.417 0.509 20 30 ECEDLO CC[N@H+](CC(=O)NCC#N)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000342176554 284398013 /nfs/dbraw/zinc/39/80/13/284398013.db2.gz SPYRWSFLKIJRBY-UHFFFAOYSA-N 1 2 331.376 0.545 20 30 ECEDLO CC[N@@H+](CC(=O)NCC#N)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000342176554 284398014 /nfs/dbraw/zinc/39/80/14/284398014.db2.gz SPYRWSFLKIJRBY-UHFFFAOYSA-N 1 2 331.376 0.545 20 30 ECEDLO COc1cc(C#N)ccc1S(=O)(=O)NCC[N@@H+]1CCCOCC1 ZINC000445706753 211120684 /nfs/dbraw/zinc/12/06/84/211120684.db2.gz HGNWXXLKAJNMOO-UHFFFAOYSA-N 1 2 339.417 0.567 20 30 ECEDLO COc1cc(C#N)ccc1S(=O)(=O)NCC[N@H+]1CCCOCC1 ZINC000445706753 211120685 /nfs/dbraw/zinc/12/06/85/211120685.db2.gz HGNWXXLKAJNMOO-UHFFFAOYSA-N 1 2 339.417 0.567 20 30 ECEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000267582343 251168804 /nfs/dbraw/zinc/16/88/04/251168804.db2.gz GVHFRNKDRWWPIM-HNNXBMFYSA-N 1 2 344.415 0.654 20 30 ECEDLO COCC(COC)[NH+]1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1 ZINC000413475432 208334028 /nfs/dbraw/zinc/33/40/28/208334028.db2.gz KPFYYCCRUFQIQL-UHFFFAOYSA-N 1 2 335.364 0.645 20 30 ECEDLO CS(=O)(=O)C[C@H]1CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000429366618 210314733 /nfs/dbraw/zinc/31/47/33/210314733.db2.gz ZBYVCXPFELFUTK-HNNXBMFYSA-N 1 2 335.429 0.541 20 30 ECEDLO CS(=O)(=O)C[C@H]1CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000429366618 210314737 /nfs/dbraw/zinc/31/47/37/210314737.db2.gz ZBYVCXPFELFUTK-HNNXBMFYSA-N 1 2 335.429 0.541 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(F)c(NC(C)=O)c2)CC1 ZINC000490800009 254886756 /nfs/dbraw/zinc/88/67/56/254886756.db2.gz KVWLEMQDCYMXNQ-UHFFFAOYSA-N 1 2 332.379 0.973 20 30 ECEDLO C#C[C@H]1COCCN1C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000491761131 254933122 /nfs/dbraw/zinc/93/31/22/254933122.db2.gz UQXZRTWSXZZJHF-ZBFHGGJFSA-N 1 2 344.415 0.850 20 30 ECEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000249197580 292046035 /nfs/dbraw/zinc/04/60/35/292046035.db2.gz QJRNSEJOXKMMCD-KGLIPLIRSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000249197580 292046036 /nfs/dbraw/zinc/04/60/36/292046036.db2.gz QJRNSEJOXKMMCD-KGLIPLIRSA-N 1 2 337.445 0.942 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)[C@@H](C)C1 ZINC000408404517 287096122 /nfs/dbraw/zinc/09/61/22/287096122.db2.gz OMCDBXYGLJFHOR-WDEREUQCSA-N 1 2 329.447 0.695 20 30 ECEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)[C@@H](C)C1 ZINC000408404517 287096125 /nfs/dbraw/zinc/09/61/25/287096125.db2.gz OMCDBXYGLJFHOR-WDEREUQCSA-N 1 2 329.447 0.695 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(C3CCOCC3)n2)C1 ZINC001077960527 782018385 /nfs/dbraw/zinc/01/83/85/782018385.db2.gz YXUZCGGVGHQIOP-UKRRQHHQSA-N 1 2 333.388 0.367 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(C3CCOCC3)n2)C1 ZINC001077960527 782018394 /nfs/dbraw/zinc/01/83/94/782018394.db2.gz YXUZCGGVGHQIOP-UKRRQHHQSA-N 1 2 333.388 0.367 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000159588821 225245220 /nfs/dbraw/zinc/24/52/20/225245220.db2.gz FCOPOXNCHFZSLW-LLVKDONJSA-N 1 2 326.397 0.702 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000159588821 225245225 /nfs/dbraw/zinc/24/52/25/225245225.db2.gz FCOPOXNCHFZSLW-LLVKDONJSA-N 1 2 326.397 0.702 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(NC(N)=O)CC3)CC2)cc1 ZINC000270977778 263290509 /nfs/dbraw/zinc/29/05/09/263290509.db2.gz UXMAOVNVAFBVMV-UHFFFAOYSA-N 1 2 327.388 0.403 20 30 ECEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000284043498 264183891 /nfs/dbraw/zinc/18/38/91/264183891.db2.gz SJGWUGWZVFKPGU-ZDUSSCGKSA-N 1 2 325.372 0.918 20 30 ECEDLO CC(C)(CNC(=O)C(=O)NCc1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000284407122 264209567 /nfs/dbraw/zinc/20/95/67/264209567.db2.gz NKDAOCMBSQXGFZ-UHFFFAOYSA-N 1 2 344.415 0.401 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)c2ccc(C#N)o2)C1=O ZINC000346306920 270006464 /nfs/dbraw/zinc/00/64/64/270006464.db2.gz WWVVDLZOMHXZLA-GFCCVEGCSA-N 1 2 327.344 0.806 20 30 ECEDLO N#Cc1cccc(F)c1CC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000354357624 270006762 /nfs/dbraw/zinc/00/67/62/270006762.db2.gz DHEMQOJYBSTMLO-UHFFFAOYSA-N 1 2 335.379 0.393 20 30 ECEDLO N#Cc1ccc(CN2CC[N@@H+](C[C@H](O)Cn3cccn3)CC2=O)cc1 ZINC000363057732 270007370 /nfs/dbraw/zinc/00/73/70/270007370.db2.gz HLNYMHSKLMZOOZ-KRWDZBQOSA-N 1 2 339.399 0.460 20 30 ECEDLO N#Cc1ccc(CN2CC[N@H+](C[C@H](O)Cn3cccn3)CC2=O)cc1 ZINC000363057732 270007371 /nfs/dbraw/zinc/00/73/71/270007371.db2.gz HLNYMHSKLMZOOZ-KRWDZBQOSA-N 1 2 339.399 0.460 20 30 ECEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000530845648 270008294 /nfs/dbraw/zinc/00/82/94/270008294.db2.gz SKRRYUYRSKRXFO-ZDUSSCGKSA-N 1 2 330.388 0.642 20 30 ECEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000530845648 270008295 /nfs/dbraw/zinc/00/82/95/270008295.db2.gz SKRRYUYRSKRXFO-ZDUSSCGKSA-N 1 2 330.388 0.642 20 30 ECEDLO CC[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)CC[N@@H+]1C[C@@H](C)O ZINC000277125524 266381472 /nfs/dbraw/zinc/38/14/72/266381472.db2.gz ZRHACHRZBSQEJC-CHWSQXEVSA-N 1 2 338.433 0.419 20 30 ECEDLO CC[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)CC[N@H+]1C[C@@H](C)O ZINC000277125524 266381479 /nfs/dbraw/zinc/38/14/79/266381479.db2.gz ZRHACHRZBSQEJC-CHWSQXEVSA-N 1 2 338.433 0.419 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC[N@@H+]1CCO ZINC000331196585 267058168 /nfs/dbraw/zinc/05/81/68/267058168.db2.gz YKOMIRFSQUBGKB-GFCCVEGCSA-N 1 2 341.408 0.526 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC[N@H+]1CCO ZINC000331196585 267058171 /nfs/dbraw/zinc/05/81/71/267058171.db2.gz YKOMIRFSQUBGKB-GFCCVEGCSA-N 1 2 341.408 0.526 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)CC[N@@H+]1CC(C)(C)O ZINC000276968262 267059003 /nfs/dbraw/zinc/05/90/03/267059003.db2.gz DLMMUIPBISVXEG-GFCCVEGCSA-N 1 2 338.433 0.419 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)CC[N@H+]1CC(C)(C)O ZINC000276968262 267059006 /nfs/dbraw/zinc/05/90/06/267059006.db2.gz DLMMUIPBISVXEG-GFCCVEGCSA-N 1 2 338.433 0.419 20 30 ECEDLO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343992402 267220210 /nfs/dbraw/zinc/22/02/10/267220210.db2.gz VCJBSQTWFVMCNU-WCQYABFASA-N 1 2 336.417 0.313 20 30 ECEDLO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343992402 267220214 /nfs/dbraw/zinc/22/02/14/267220214.db2.gz VCJBSQTWFVMCNU-WCQYABFASA-N 1 2 336.417 0.313 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cccc(C#N)n1 ZINC000529749510 267332476 /nfs/dbraw/zinc/33/24/76/267332476.db2.gz ABZXEWXQNVEPKW-QGZVFWFLSA-N 1 2 330.388 0.299 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cccc(C#N)n1 ZINC000529749510 267332478 /nfs/dbraw/zinc/33/24/78/267332478.db2.gz ABZXEWXQNVEPKW-QGZVFWFLSA-N 1 2 330.388 0.299 20 30 ECEDLO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cnn(C)c2)ccc1C#N ZINC000367690545 267355496 /nfs/dbraw/zinc/35/54/96/267355496.db2.gz SEOSEWPEOMJDBO-INIZCTEOSA-N 1 2 345.428 0.935 20 30 ECEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000420449391 267577478 /nfs/dbraw/zinc/57/74/78/267577478.db2.gz XMJQRGZRDFZMNM-CQSZACIVSA-N 1 2 327.381 0.889 20 30 ECEDLO N#Cc1ccc(NC(=O)C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000355579821 268131538 /nfs/dbraw/zinc/13/15/38/268131538.db2.gz SPSMFIJCIGKLFG-UHFFFAOYSA-N 1 2 338.371 0.564 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1 ZINC000368964600 268188324 /nfs/dbraw/zinc/18/83/24/268188324.db2.gz PPAXEVVYUGRBDZ-NUEKZKHPSA-N 1 2 347.440 0.918 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1 ZINC000368964600 268188326 /nfs/dbraw/zinc/18/83/26/268188326.db2.gz PPAXEVVYUGRBDZ-NUEKZKHPSA-N 1 2 347.440 0.918 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)o1 ZINC000288016908 268194062 /nfs/dbraw/zinc/19/40/62/268194062.db2.gz HBNGEBADFJZCCT-GFCCVEGCSA-N 1 2 325.390 0.494 20 30 ECEDLO N#Cc1cccc(C(=O)N2CC[NH+]([C@H]3CCCCNC3=O)CC2)c1 ZINC000371809613 268237255 /nfs/dbraw/zinc/23/72/55/268237255.db2.gz DZQPDQPSYFZCMK-INIZCTEOSA-N 1 2 326.400 0.985 20 30 ECEDLO N#Cc1cccc(N2CC[NH+](CCn3nc4ccccn4c3=O)CC2)n1 ZINC000355106812 268261743 /nfs/dbraw/zinc/26/17/43/268261743.db2.gz QCFFAQYLMMKAHB-UHFFFAOYSA-N 1 2 349.398 0.585 20 30 ECEDLO CC(C)(C)N1C[C@H](NC(=O)NCC2([NH+]3CCOCC3)CC2)CC1=O ZINC000330263140 277161492 /nfs/dbraw/zinc/16/14/92/277161492.db2.gz WDWRZWJHLDQBSC-CYBMUJFWSA-N 1 2 338.452 0.754 20 30 ECEDLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000330725426 437599937 /nfs/dbraw/zinc/59/99/37/437599937.db2.gz ZNCBJZJMUQQFPS-GHMZBOCLSA-N 1 2 329.426 0.284 20 30 ECEDLO CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCCCS2(=O)=O)CC1 ZINC000329571984 288104686 /nfs/dbraw/zinc/10/46/86/288104686.db2.gz QXWQFUUARNLAOV-KBPBESRZSA-N 1 2 347.481 0.256 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000352603993 279173406 /nfs/dbraw/zinc/17/34/06/279173406.db2.gz RBFIJKBPTVDFNB-KGLIPLIRSA-N 1 2 330.454 0.262 20 30 ECEDLO C[C@@H](CCO)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330738720 437604242 /nfs/dbraw/zinc/60/42/42/437604242.db2.gz PHEQLXUNPISWPZ-LBPRGKRZSA-N 1 2 335.408 0.566 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)CSc2nnc(CCC)n2N)CC1 ZINC000291589841 437608150 /nfs/dbraw/zinc/60/81/50/437608150.db2.gz VXDOAPRELUKHGA-UHFFFAOYSA-N 1 2 336.465 0.204 20 30 ECEDLO N#C[C@@]1(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)CCc2ccccc2C1 ZINC000376167690 294834484 /nfs/dbraw/zinc/83/44/84/294834484.db2.gz SGSKVAMGHZMHNA-IEBWSBKVSA-N 1 2 343.427 0.495 20 30 ECEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CC(=O)N1CCOCC1 ZINC000007607623 436012057 /nfs/dbraw/zinc/01/20/57/436012057.db2.gz KQPWXVLAALOTFV-CYBMUJFWSA-N 1 2 330.388 0.676 20 30 ECEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CC(=O)N1CCOCC1 ZINC000007607623 436012062 /nfs/dbraw/zinc/01/20/62/436012062.db2.gz KQPWXVLAALOTFV-CYBMUJFWSA-N 1 2 330.388 0.676 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000073350367 436075166 /nfs/dbraw/zinc/07/51/66/436075166.db2.gz SYHXXYXXYLOHIA-UONOGXRCSA-N 1 2 335.452 0.032 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000073350367 436075173 /nfs/dbraw/zinc/07/51/73/436075173.db2.gz SYHXXYXXYLOHIA-UONOGXRCSA-N 1 2 335.452 0.032 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2O)CC1 ZINC000024249608 436131728 /nfs/dbraw/zinc/13/17/28/436131728.db2.gz GIYPKSJAJRUJPW-CYBMUJFWSA-N 1 2 332.404 0.915 20 30 ECEDLO CN(C)C(=O)CN1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000026301107 436163673 /nfs/dbraw/zinc/16/36/73/436163673.db2.gz WYEXOLVOASIMDK-UHFFFAOYSA-N 1 2 349.460 0.654 20 30 ECEDLO CN(C)C(=O)C[NH+]1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000026301107 436163678 /nfs/dbraw/zinc/16/36/78/436163678.db2.gz WYEXOLVOASIMDK-UHFFFAOYSA-N 1 2 349.460 0.654 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000028179372 436187164 /nfs/dbraw/zinc/18/71/64/436187164.db2.gz OBGAFSHJOQZNIG-MRXNPFEDSA-N 1 2 342.443 0.058 20 30 ECEDLO C[C@H]1CN(C(=O)C[NH+]2CCN(c3cc(C#N)ccn3)CC2)C[C@H](C)O1 ZINC000029447221 436202994 /nfs/dbraw/zinc/20/29/94/436202994.db2.gz RYIOFOOOBFZJGQ-GJZGRUSLSA-N 1 2 343.431 0.711 20 30 ECEDLO CCCCNC(=O)NC(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029447495 436203218 /nfs/dbraw/zinc/20/32/18/436203218.db2.gz UMNCGRBHHUKNAM-UHFFFAOYSA-N 1 2 344.419 0.701 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@H]1CNS(C)(=O)=O ZINC000076911677 436217355 /nfs/dbraw/zinc/21/73/55/436217355.db2.gz KVVBRKNHNOYLBF-ZDUSSCGKSA-N 1 2 330.454 0.152 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1CNS(C)(=O)=O ZINC000076911677 436217360 /nfs/dbraw/zinc/21/73/60/436217360.db2.gz KVVBRKNHNOYLBF-ZDUSSCGKSA-N 1 2 330.454 0.152 20 30 ECEDLO Cn1nc2c(cc1=O)C[N@H+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000078622772 436272633 /nfs/dbraw/zinc/27/26/33/436272633.db2.gz NPOPZMKGBLIZOS-QGZVFWFLSA-N 1 2 349.394 0.816 20 30 ECEDLO Cn1nc2c(cc1=O)C[N@@H+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000078622772 436272639 /nfs/dbraw/zinc/27/26/39/436272639.db2.gz NPOPZMKGBLIZOS-QGZVFWFLSA-N 1 2 349.394 0.816 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+]([C@@H](C)C(=O)N(CC=C)CC=C)CC1 ZINC000042541417 436306069 /nfs/dbraw/zinc/30/60/69/436306069.db2.gz IRTCNVDJEXGCCH-INIZCTEOSA-N 1 2 334.464 0.495 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000042570867 436307020 /nfs/dbraw/zinc/30/70/20/436307020.db2.gz MPXTVVCIYKZEHO-HOTGVXAUSA-N 1 2 348.491 0.860 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(CC(=O)NC2CC2)CC1 ZINC000042627698 436309266 /nfs/dbraw/zinc/30/92/66/436309266.db2.gz HFRPWYSNKCUPMR-OAHLLOKOSA-N 1 2 334.464 0.472 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000081157962 436337361 /nfs/dbraw/zinc/33/73/61/436337361.db2.gz OTHRYLHNUMSOCT-CYBMUJFWSA-N 1 2 348.369 0.697 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000081157964 436338258 /nfs/dbraw/zinc/33/82/58/436338258.db2.gz OTHRYLHNUMSOCT-ZDUSSCGKSA-N 1 2 348.369 0.697 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(C(=O)OC)ccc2F)CC1 ZINC000085271246 436388358 /nfs/dbraw/zinc/38/83/58/436388358.db2.gz UWZYGZIKZZFGQX-UHFFFAOYSA-N 1 2 333.363 0.802 20 30 ECEDLO COCC(=O)N1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000047996851 436436514 /nfs/dbraw/zinc/43/65/14/436436514.db2.gz BPOXOIRSROAUEO-INIZCTEOSA-N 1 2 347.415 0.283 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)Cc2cnn(C)c2)CC1 ZINC000091515993 436451961 /nfs/dbraw/zinc/45/19/61/436451961.db2.gz MCKNGQLANUVQNH-INIZCTEOSA-N 1 2 332.452 0.544 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)Cc2cnn(C)c2)CC1 ZINC000091515993 436451962 /nfs/dbraw/zinc/45/19/62/436451962.db2.gz MCKNGQLANUVQNH-INIZCTEOSA-N 1 2 332.452 0.544 20 30 ECEDLO C#CC[N@@H+](CCCNC(=O)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000091618934 436454683 /nfs/dbraw/zinc/45/46/83/436454683.db2.gz DBGDRWNPHDRXMC-JTQLQIEISA-N 1 2 326.340 0.177 20 30 ECEDLO C#CC[N@H+](CCCNC(=O)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000091618934 436454685 /nfs/dbraw/zinc/45/46/85/436454685.db2.gz DBGDRWNPHDRXMC-JTQLQIEISA-N 1 2 326.340 0.177 20 30 ECEDLO COC(=O)[C@H]1CCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000092618554 436473639 /nfs/dbraw/zinc/47/36/39/436473639.db2.gz IRWHKCWQWZDMSL-HUUCEWRRSA-N 1 2 336.436 0.316 20 30 ECEDLO COC(=O)[C@H]1CCC[N@H+]1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000092618554 436473644 /nfs/dbraw/zinc/47/36/44/436473644.db2.gz IRWHKCWQWZDMSL-HUUCEWRRSA-N 1 2 336.436 0.316 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](S(=O)(=O)NCC)C1 ZINC000092843599 436477504 /nfs/dbraw/zinc/47/75/04/436477504.db2.gz ORTNYTZUZXTQOG-UONOGXRCSA-N 1 2 331.482 0.813 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](S(=O)(=O)NCC)C1 ZINC000092843599 436477507 /nfs/dbraw/zinc/47/75/07/436477507.db2.gz ORTNYTZUZXTQOG-UONOGXRCSA-N 1 2 331.482 0.813 20 30 ECEDLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000052644943 436512032 /nfs/dbraw/zinc/51/20/32/436512032.db2.gz MVWBEGNBBHQAOE-UHFFFAOYSA-N 1 2 328.416 0.989 20 30 ECEDLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000052644943 436512036 /nfs/dbraw/zinc/51/20/36/436512036.db2.gz MVWBEGNBBHQAOE-UHFFFAOYSA-N 1 2 328.416 0.989 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CC[S@](=O)c2ccccc2)CC1 ZINC000104663973 436560014 /nfs/dbraw/zinc/56/00/14/436560014.db2.gz BENREBVRTXVHBM-HSZRJFAPSA-N 1 2 335.473 0.714 20 30 ECEDLO CC(C)c1[nH+]c2c(n1C)CCN(S(=O)(=O)N(C)CCC#N)C2 ZINC000113299734 436636972 /nfs/dbraw/zinc/63/69/72/436636972.db2.gz OLBLBLRULHMSSU-UHFFFAOYSA-N 1 2 325.438 0.992 20 30 ECEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000063759553 436646151 /nfs/dbraw/zinc/64/61/51/436646151.db2.gz QLQWIBJNGUIVKQ-ZDUSSCGKSA-N 1 2 330.388 0.345 20 30 ECEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000063759553 436646152 /nfs/dbraw/zinc/64/61/52/436646152.db2.gz QLQWIBJNGUIVKQ-ZDUSSCGKSA-N 1 2 330.388 0.345 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2nccc(OC)n2)CC1 ZINC000064248345 436648062 /nfs/dbraw/zinc/64/80/62/436648062.db2.gz MJNCWZDDNLAIBU-LBPRGKRZSA-N 1 2 348.407 0.008 20 30 ECEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(N3CCNC3=O)CC2)cc1 ZINC000115536547 436647490 /nfs/dbraw/zinc/64/74/90/436647490.db2.gz HJYNYPNJNGFTQT-OAHLLOKOSA-N 1 2 327.388 0.574 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000064353477 436649155 /nfs/dbraw/zinc/64/91/55/436649155.db2.gz PJLQRYILRONZRQ-UHFFFAOYSA-N 1 2 337.445 0.685 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000064353477 436649157 /nfs/dbraw/zinc/64/91/57/436649157.db2.gz PJLQRYILRONZRQ-UHFFFAOYSA-N 1 2 337.445 0.685 20 30 ECEDLO C[N@@H+]1CCO[C@H](CNS(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000120834239 436699287 /nfs/dbraw/zinc/69/92/87/436699287.db2.gz LKVVDEGAPJQJJU-CYBMUJFWSA-N 1 2 327.381 0.447 20 30 ECEDLO C[N@H+]1CCO[C@H](CNS(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000120834239 436699291 /nfs/dbraw/zinc/69/92/91/436699291.db2.gz LKVVDEGAPJQJJU-CYBMUJFWSA-N 1 2 327.381 0.447 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000065545104 436666110 /nfs/dbraw/zinc/66/61/10/436666110.db2.gz KVWBKPDWRMCDFC-CYBMUJFWSA-N 1 2 349.435 0.809 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000269610951 436667863 /nfs/dbraw/zinc/66/78/63/436667863.db2.gz BCCQXHCUKOMLHW-STQMWFEESA-N 1 2 329.408 0.326 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000269610951 436667867 /nfs/dbraw/zinc/66/78/67/436667867.db2.gz BCCQXHCUKOMLHW-STQMWFEESA-N 1 2 329.408 0.326 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000269610949 436667946 /nfs/dbraw/zinc/66/79/46/436667946.db2.gz BCCQXHCUKOMLHW-QWHCGFSZSA-N 1 2 329.408 0.326 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000269610949 436667949 /nfs/dbraw/zinc/66/79/49/436667949.db2.gz BCCQXHCUKOMLHW-QWHCGFSZSA-N 1 2 329.408 0.326 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2SCCS2)CC1 ZINC000270465158 436673641 /nfs/dbraw/zinc/67/36/41/436673641.db2.gz LAZRTRHSGLOXQX-UHFFFAOYSA-N 1 2 327.475 0.076 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2SCCS2)CC1 ZINC000270465158 436673643 /nfs/dbraw/zinc/67/36/43/436673643.db2.gz LAZRTRHSGLOXQX-UHFFFAOYSA-N 1 2 327.475 0.076 20 30 ECEDLO CC(=O)N1CCC[C@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000195166656 436681272 /nfs/dbraw/zinc/68/12/72/436681272.db2.gz LONRLBAODDABJD-INIZCTEOSA-N 1 2 336.436 0.319 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000066318616 436682310 /nfs/dbraw/zinc/68/23/10/436682310.db2.gz MXZXFAHSEUZQHP-HNNXBMFYSA-N 1 2 333.436 0.696 20 30 ECEDLO CC(=O)N1CC[NH+](CCNC(=O)CNc2ccc(C#N)cc2)CC1 ZINC000068353504 436743059 /nfs/dbraw/zinc/74/30/59/436743059.db2.gz FGEKOSDUYFOGLT-UHFFFAOYSA-N 1 2 329.404 0.250 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(CC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000154000418 436768051 /nfs/dbraw/zinc/76/80/51/436768051.db2.gz VNJWBQDUQHVMTE-UHFFFAOYSA-N 1 2 337.464 0.816 20 30 ECEDLO C=C(C)C[N@@H+](C)CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000245543447 436765076 /nfs/dbraw/zinc/76/50/76/436765076.db2.gz KRSONDZCGDHDMD-LSDHHAIUSA-N 1 2 344.477 0.689 20 30 ECEDLO C=C(C)C[N@H+](C)CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000245543447 436765078 /nfs/dbraw/zinc/76/50/78/436765078.db2.gz KRSONDZCGDHDMD-LSDHHAIUSA-N 1 2 344.477 0.689 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1[nH]cc[nH+]1 ZINC000125369625 436768398 /nfs/dbraw/zinc/76/83/98/436768398.db2.gz NNPZNJBMXFXHCN-SNVBAGLBSA-N 1 2 333.373 0.265 20 30 ECEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1F)[C@H]1C[N@H+](C)CCO1 ZINC000125893798 436777916 /nfs/dbraw/zinc/77/79/16/436777916.db2.gz HHDKLBWVRLKODK-GXFFZTMASA-N 1 2 327.381 0.695 20 30 ECEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000125893798 436777919 /nfs/dbraw/zinc/77/79/19/436777919.db2.gz HHDKLBWVRLKODK-GXFFZTMASA-N 1 2 327.381 0.695 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc3c(c2)C(=O)N(C)C3=O)CC1 ZINC000154749675 436784159 /nfs/dbraw/zinc/78/41/59/436784159.db2.gz BDDXGJNOLDCTSU-UHFFFAOYSA-N 1 2 340.383 0.102 20 30 ECEDLO Cn1cc(N2CC[C@@H](O[NH+]=C(N)c3ccc4c(c3)CCO4)C2=O)cn1 ZINC000158167283 436840761 /nfs/dbraw/zinc/84/07/61/436840761.db2.gz KAONGZCZRXXGNG-OAHLLOKOSA-N 1 2 341.371 0.797 20 30 ECEDLO N#Cc1ccc(OC2C[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000158583137 436846325 /nfs/dbraw/zinc/84/63/25/436846325.db2.gz PVTMJUADTZVCKD-AWEZNQCLSA-N 1 2 343.343 0.787 20 30 ECEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)CC1 ZINC000132417806 436865176 /nfs/dbraw/zinc/86/51/76/436865176.db2.gz VWVTYLGHIFCTAX-UHFFFAOYSA-N 1 2 343.343 0.620 20 30 ECEDLO C#Cc1cccc(NC(=O)CNC(=O)[C@H](c2c[nH+]cn2C)N(C)C)c1 ZINC000280750887 436918343 /nfs/dbraw/zinc/91/83/43/436918343.db2.gz KOOUBZYRBGUHBX-KRWDZBQOSA-N 1 2 339.399 0.759 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000171112257 436968387 /nfs/dbraw/zinc/96/83/87/436968387.db2.gz KOBNHXQIKCYWRA-CYBMUJFWSA-N 1 2 330.388 0.125 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](C(=O)OC)[C@@H](C)CC)C1=O ZINC000281449027 436970895 /nfs/dbraw/zinc/97/08/95/436970895.db2.gz UNABWFRJEGKCJU-KCQAQPDRSA-N 1 2 339.436 0.409 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@@H](C(=O)OC)[C@@H](C)CC)C1=O ZINC000281449027 436970898 /nfs/dbraw/zinc/97/08/98/436970898.db2.gz UNABWFRJEGKCJU-KCQAQPDRSA-N 1 2 339.436 0.409 20 30 ECEDLO NC(CCO)=[NH+]OCC(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000275548578 436982245 /nfs/dbraw/zinc/98/22/45/436982245.db2.gz URIIJBZIXZAQBF-UHFFFAOYSA-N 1 2 335.282 0.873 20 30 ECEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000275497418 436976899 /nfs/dbraw/zinc/97/68/99/436976899.db2.gz GMQXKOWUUXJZGT-IMJJTQAJSA-N 1 2 334.372 0.296 20 30 ECEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000275497418 436976901 /nfs/dbraw/zinc/97/69/01/436976901.db2.gz GMQXKOWUUXJZGT-IMJJTQAJSA-N 1 2 334.372 0.296 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NC(=O)NCc2ccccc2)C1=O ZINC000281222155 436954742 /nfs/dbraw/zinc/95/47/42/436954742.db2.gz DVDBXMGEVRTPQK-HNNXBMFYSA-N 1 2 344.415 0.731 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NC(=O)NCc2ccccc2)C1=O ZINC000281222155 436954746 /nfs/dbraw/zinc/95/47/46/436954746.db2.gz DVDBXMGEVRTPQK-HNNXBMFYSA-N 1 2 344.415 0.731 20 30 ECEDLO C=C(C)CN(CC)C(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000297936140 437022555 /nfs/dbraw/zinc/02/25/55/437022555.db2.gz SREMYIVCLHUNCR-UHFFFAOYSA-N 1 2 331.420 0.858 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000264478765 437035059 /nfs/dbraw/zinc/03/50/59/437035059.db2.gz VVVUVBQXHSWOIX-AWEZNQCLSA-N 1 2 346.431 0.698 20 30 ECEDLO Cc1nc(N2CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC2)cc[nH+]1 ZINC000282391191 437012488 /nfs/dbraw/zinc/01/24/88/437012488.db2.gz XVQHVYRKFUPKHS-LBPRGKRZSA-N 1 2 338.437 0.386 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000173541423 437055386 /nfs/dbraw/zinc/05/53/86/437055386.db2.gz GAKBCKGLCHDGKQ-HNNXBMFYSA-N 1 2 335.429 0.901 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC000173542714 437056224 /nfs/dbraw/zinc/05/62/24/437056224.db2.gz SDMBFMWYBWRELZ-ZDUSSCGKSA-N 1 2 336.417 0.296 20 30 ECEDLO C#CCN(CC)C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000299209534 437060685 /nfs/dbraw/zinc/06/06/85/437060685.db2.gz SMWMFZCYIFCGBW-UHFFFAOYSA-N 1 2 342.443 0.854 20 30 ECEDLO Cc1ncc(S(=O)(=O)NCC[NH+]2CCSCC2)cc1C#N ZINC000313969861 437175095 /nfs/dbraw/zinc/17/50/95/437175095.db2.gz KHDAQSLFDFRVQG-UHFFFAOYSA-N 1 2 326.447 0.589 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc2oc(=O)[nH]c2c1 ZINC000287531522 437201934 /nfs/dbraw/zinc/20/19/34/437201934.db2.gz IDRDBPGXLYGCSN-UHFFFAOYSA-N 1 2 344.371 0.809 20 30 ECEDLO N#CCC[N@@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)CC1CC1 ZINC000266922853 437265924 /nfs/dbraw/zinc/26/59/24/437265924.db2.gz MQOJWCBJLJPMOF-UHFFFAOYSA-N 1 2 344.415 0.793 20 30 ECEDLO N#CCC[N@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)CC1CC1 ZINC000266922853 437265928 /nfs/dbraw/zinc/26/59/28/437265928.db2.gz MQOJWCBJLJPMOF-UHFFFAOYSA-N 1 2 344.415 0.793 20 30 ECEDLO CC(=O)N1CC[C@H](CN(C)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000328831042 437269267 /nfs/dbraw/zinc/26/92/67/437269267.db2.gz KURULEQVESKXKZ-IIAWOOMASA-N 1 2 340.468 0.810 20 30 ECEDLO N#CCOc1ccc(/C=C/C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1 ZINC000178612435 437219803 /nfs/dbraw/zinc/21/98/03/437219803.db2.gz XPSLUMULUIHUDB-GIZXNFQBSA-N 1 2 326.400 0.718 20 30 ECEDLO CC[N@H+](Cc1nnc(C)o1)[C@H]1CN(C(=O)NCc2ccco2)C[C@H]1O ZINC000328651087 437246250 /nfs/dbraw/zinc/24/62/50/437246250.db2.gz VVMLPHFCNODEHK-UONOGXRCSA-N 1 2 349.391 0.952 20 30 ECEDLO CC[N@@H+](Cc1nnc(C)o1)[C@H]1CN(C(=O)NCc2ccco2)C[C@H]1O ZINC000328651087 437246253 /nfs/dbraw/zinc/24/62/53/437246253.db2.gz VVMLPHFCNODEHK-UONOGXRCSA-N 1 2 349.391 0.952 20 30 ECEDLO CC(C)(C)n1ncnc1CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000328679901 437251239 /nfs/dbraw/zinc/25/12/39/437251239.db2.gz UGUTXNJQYYYGMZ-UHFFFAOYSA-N 1 2 336.440 0.902 20 30 ECEDLO O=C(C#Cc1ccc2c(c1)OCO2)NCC1([NH+]2CCOCC2)CC1 ZINC000277785426 437253478 /nfs/dbraw/zinc/25/34/78/437253478.db2.gz FLMRTDFEQHLASF-UHFFFAOYSA-N 1 2 328.368 0.748 20 30 ECEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)n1cnc(C#N)n1 ZINC000336880685 437303071 /nfs/dbraw/zinc/30/30/71/437303071.db2.gz CNMBAGPVCTXWCL-AWEZNQCLSA-N 1 2 349.398 0.927 20 30 ECEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCCS(=O)(=O)CC1 ZINC000329020627 437304720 /nfs/dbraw/zinc/30/47/20/437304720.db2.gz SMZMMGSXCZVTRX-CYBMUJFWSA-N 1 2 338.433 0.695 20 30 ECEDLO C[C@@H]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@H]1n1cc[nH+]c1 ZINC000336912230 437309524 /nfs/dbraw/zinc/30/95/24/437309524.db2.gz YRURNLYIYIQJHF-HZSPNIEDSA-N 1 2 339.421 0.235 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCOC[C@@H]2C2CC2)CC1 ZINC000181140225 437312166 /nfs/dbraw/zinc/31/21/66/437312166.db2.gz KOOWRXKMFKTQIP-IAGOWNOFSA-N 1 2 334.464 0.790 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCOC[C@@H]2C2CC2)CC1 ZINC000181140225 437312171 /nfs/dbraw/zinc/31/21/71/437312171.db2.gz KOOWRXKMFKTQIP-IAGOWNOFSA-N 1 2 334.464 0.790 20 30 ECEDLO N#Cc1nc(N2CC[NH+](CCS(N)(=O)=O)CC2)ccc1Cl ZINC000267255198 437312832 /nfs/dbraw/zinc/31/28/32/437312832.db2.gz VKMZQSVVGFTOSG-UHFFFAOYSA-N 1 2 329.813 0.017 20 30 ECEDLO C=CCNC(=O)CNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000181176225 437313924 /nfs/dbraw/zinc/31/39/24/437313924.db2.gz VVLBVAFVVGVGBB-CQSZACIVSA-N 1 2 331.420 0.772 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000333562433 437275337 /nfs/dbraw/zinc/27/53/37/437275337.db2.gz OISZLQHIMYXCCI-OAGGEKHMSA-N 1 2 335.448 0.733 20 30 ECEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@H]1COCCO1 ZINC000328918574 437284377 /nfs/dbraw/zinc/28/43/77/437284377.db2.gz LEJVREOPCQIREZ-CQSZACIVSA-N 1 2 325.409 0.303 20 30 ECEDLO COc1cccc(C(=O)NCC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000328927337 437286005 /nfs/dbraw/zinc/28/60/05/437286005.db2.gz WZUZOXZJPGBFEO-CVEARBPZSA-N 1 2 347.415 0.931 20 30 ECEDLO COc1cccc(C(=O)NCC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000328927337 437286007 /nfs/dbraw/zinc/28/60/07/437286007.db2.gz WZUZOXZJPGBFEO-CVEARBPZSA-N 1 2 347.415 0.931 20 30 ECEDLO C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(C#N)s3)[C@@H]2C1 ZINC000328956329 437292340 /nfs/dbraw/zinc/29/23/40/437292340.db2.gz ZGIPSSIKIGQWHM-VXGBXAGGSA-N 1 2 327.431 0.713 20 30 ECEDLO C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(C#N)s3)[C@@H]2C1 ZINC000328956329 437292343 /nfs/dbraw/zinc/29/23/43/437292343.db2.gz ZGIPSSIKIGQWHM-VXGBXAGGSA-N 1 2 327.431 0.713 20 30 ECEDLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000278253992 437297044 /nfs/dbraw/zinc/29/70/44/437297044.db2.gz HQDFOADFHPFZHN-NVXWUHKLSA-N 1 2 347.415 0.843 20 30 ECEDLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000278253992 437297049 /nfs/dbraw/zinc/29/70/49/437297049.db2.gz HQDFOADFHPFZHN-NVXWUHKLSA-N 1 2 347.415 0.843 20 30 ECEDLO O=C(C[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)NCC1CC1 ZINC000329247869 437340439 /nfs/dbraw/zinc/34/04/39/437340439.db2.gz ACGMRKISUAMRAL-AWEZNQCLSA-N 1 2 345.465 0.479 20 30 ECEDLO O=C(C[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)NCC1CC1 ZINC000329247869 437340444 /nfs/dbraw/zinc/34/04/44/437340444.db2.gz ACGMRKISUAMRAL-AWEZNQCLSA-N 1 2 345.465 0.479 20 30 ECEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000329280179 437346401 /nfs/dbraw/zinc/34/64/01/437346401.db2.gz MUFINYSDXDZQRM-NFAWXSAZSA-N 1 2 336.436 0.459 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1)C1CC1 ZINC000337416771 437360273 /nfs/dbraw/zinc/36/02/73/437360273.db2.gz RUQIMMCRJKUHHP-ZFWWWQNUSA-N 1 2 327.450 0.694 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H](S(C)(=O)=O)CC1)C1CC1 ZINC000337416771 437360279 /nfs/dbraw/zinc/36/02/79/437360279.db2.gz RUQIMMCRJKUHHP-ZFWWWQNUSA-N 1 2 327.450 0.694 20 30 ECEDLO C[C@H](C#N)CNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000182817084 437362043 /nfs/dbraw/zinc/36/20/43/437362043.db2.gz ABIPFZFOCVPZEE-LLVKDONJSA-N 1 2 328.380 0.355 20 30 ECEDLO C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2COCCN2CC(F)(F)F)C1 ZINC000329405480 437363068 /nfs/dbraw/zinc/36/30/68/437363068.db2.gz BTVONKHIZKEGKT-GHMZBOCLSA-N 1 2 325.331 0.537 20 30 ECEDLO C[N@H+]1CCO[C@H](CNC(=O)[C@H]2COCCN2CC(F)(F)F)C1 ZINC000329405480 437363073 /nfs/dbraw/zinc/36/30/73/437363073.db2.gz BTVONKHIZKEGKT-GHMZBOCLSA-N 1 2 325.331 0.537 20 30 ECEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NC3(CO)CC3)ccn2)CC1 ZINC000329470994 437373450 /nfs/dbraw/zinc/37/34/50/437373450.db2.gz YQUMZJPVRPZDNT-UHFFFAOYSA-N 1 2 333.392 0.129 20 30 ECEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCc3ccnc(C)n3)C2)CC1 ZINC000329133698 437323267 /nfs/dbraw/zinc/32/32/67/437323267.db2.gz BIOGWDXQUWJEAS-INIZCTEOSA-N 1 2 332.452 0.911 20 30 ECEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000278640510 437330517 /nfs/dbraw/zinc/33/05/17/437330517.db2.gz GWRWMIXYZZPODQ-QEJZJMRPSA-N 1 2 333.388 0.368 20 30 ECEDLO Cn1ccnc(N2CCC[C@H](NC(=O)NCCn3cc[nH+]c3)C2)c1=O ZINC000329240458 437339565 /nfs/dbraw/zinc/33/95/65/437339565.db2.gz QYTQSEOOTZIHGK-ZDUSSCGKSA-N 1 2 345.407 0.149 20 30 ECEDLO Cn1ccnc(N2CCC[C@H](NC([O-])=[NH+]CCn3cc[nH+]c3)C2)c1=O ZINC000329240458 437339568 /nfs/dbraw/zinc/33/95/68/437339568.db2.gz QYTQSEOOTZIHGK-ZDUSSCGKSA-N 1 2 345.407 0.149 20 30 ECEDLO C[C@H](CO[C@@H]1CCOC1)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000329238186 437339669 /nfs/dbraw/zinc/33/96/69/437339669.db2.gz PNBCHVDCVWBNFA-KLHDSHLOSA-N 1 2 341.452 0.889 20 30 ECEDLO C[C@H](NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)c1nnc2ccccn21 ZINC000329723266 437405676 /nfs/dbraw/zinc/40/56/76/437405676.db2.gz NQBHQAYXVKCAOX-RWMBFGLXSA-N 1 2 330.392 0.719 20 30 ECEDLO C[C@H](NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)c1nnc2ccccn21 ZINC000329723266 437405680 /nfs/dbraw/zinc/40/56/80/437405680.db2.gz NQBHQAYXVKCAOX-RWMBFGLXSA-N 1 2 330.392 0.719 20 30 ECEDLO Cc1cc(=O)[nH]cc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329865718 437424167 /nfs/dbraw/zinc/42/41/67/437424167.db2.gz ANKDPRKVKHXDLW-CYBMUJFWSA-N 1 2 348.403 0.333 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(CC(C)(C)C)n2C)CC1 ZINC000337928602 437384165 /nfs/dbraw/zinc/38/41/65/437384165.db2.gz RBWJVFUTFAHQBT-UHFFFAOYSA-N 1 2 334.468 0.828 20 30 ECEDLO C[C@@H](NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)c1nc[nH]n1 ZINC000329577966 437385328 /nfs/dbraw/zinc/38/53/28/437385328.db2.gz WGANPKKNKPCCQI-GFCCVEGCSA-N 1 2 349.439 0.314 20 30 ECEDLO C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000329631351 437392704 /nfs/dbraw/zinc/39/27/04/437392704.db2.gz WMHZFNNLYXMQSP-IFMYKAFSSA-N 1 2 331.482 0.853 20 30 ECEDLO CCO[C@@H]1C[C@](O)(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)C1(C)C ZINC000329942791 437434063 /nfs/dbraw/zinc/43/40/63/437434063.db2.gz VVCOFWHSXLTVRK-ZENOOKHLSA-N 1 2 329.441 0.387 20 30 ECEDLO CCO[C@@H]1C[C@](O)(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)C1(C)C ZINC000329942791 437434068 /nfs/dbraw/zinc/43/40/68/437434068.db2.gz VVCOFWHSXLTVRK-ZENOOKHLSA-N 1 2 329.441 0.387 20 30 ECEDLO C[C@@H]1C[C@H](O)CN1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329935097 437434805 /nfs/dbraw/zinc/43/48/05/437434805.db2.gz KDPCSRNYSAJDCZ-OCCSQVGLSA-N 1 2 347.419 0.470 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CC(=O)N(CC(C)C)C(C)C)CC1 ZINC000339030541 437436142 /nfs/dbraw/zinc/43/61/42/437436142.db2.gz XLLWUFVHRVUDDJ-UHFFFAOYSA-N 1 2 338.496 0.799 20 30 ECEDLO CC(C)[C@@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)[NH+]1CCN(C)CC1 ZINC000330393644 437500261 /nfs/dbraw/zinc/50/02/61/437500261.db2.gz QOGUPAPTWLDSFV-HUUCEWRRSA-N 1 2 345.513 0.184 20 30 ECEDLO Cc1c(C(=O)N[C@@H](C)C[NH+]2CCOCC2)cccc1S(N)(=O)=O ZINC000330417567 437505135 /nfs/dbraw/zinc/50/51/35/437505135.db2.gz DAAIYIXTUWJXQM-NSHDSACASA-N 1 2 341.433 0.668 20 30 ECEDLO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000330421051 437506426 /nfs/dbraw/zinc/50/64/26/437506426.db2.gz AMEMIQHFLPUESC-GFCCVEGCSA-N 1 2 343.453 0.541 20 30 ECEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000330421051 437506430 /nfs/dbraw/zinc/50/64/30/437506430.db2.gz AMEMIQHFLPUESC-GFCCVEGCSA-N 1 2 343.453 0.541 20 30 ECEDLO Cc1c(C(=O)NC[C@@H](C)[NH+]2CCOCC2)cccc1S(N)(=O)=O ZINC000330443646 437514347 /nfs/dbraw/zinc/51/43/47/437514347.db2.gz ULPLMBLZBPREEA-LLVKDONJSA-N 1 2 341.433 0.668 20 30 ECEDLO C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cn1)[C@H](C)[NH+]1CCOCC1 ZINC000340001633 437543802 /nfs/dbraw/zinc/54/38/02/437543802.db2.gz XVONXSOEMKKGJN-NEPJUHHUSA-N 1 2 331.376 0.117 20 30 ECEDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000354148181 437544435 /nfs/dbraw/zinc/54/44/35/437544435.db2.gz KNQGTFMFUYWPAJ-HNNXBMFYSA-N 1 2 333.436 0.975 20 30 ECEDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000354148181 437544441 /nfs/dbraw/zinc/54/44/41/437544441.db2.gz KNQGTFMFUYWPAJ-HNNXBMFYSA-N 1 2 333.436 0.975 20 30 ECEDLO CCCNC(=O)NC(=O)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000330582727 437558106 /nfs/dbraw/zinc/55/81/06/437558106.db2.gz RDOKKBKJYWCVRX-BFHYXJOUSA-N 1 2 327.425 0.679 20 30 ECEDLO CCCNC(=O)NC(=O)C[N@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000330582727 437558109 /nfs/dbraw/zinc/55/81/09/437558109.db2.gz RDOKKBKJYWCVRX-BFHYXJOUSA-N 1 2 327.425 0.679 20 30 ECEDLO Cn1c[nH+]cc1CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC000291188745 437568147 /nfs/dbraw/zinc/56/81/47/437568147.db2.gz CSSOXZISXLTPIB-UHFFFAOYSA-N 1 2 347.400 0.542 20 30 ECEDLO CNS(=O)(=O)c1cccc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000330644499 437578423 /nfs/dbraw/zinc/57/84/23/437578423.db2.gz SSBZODZCOCWAKA-LBPRGKRZSA-N 1 2 342.421 0.251 20 30 ECEDLO CNS(=O)(=O)c1cccc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000330644499 437578428 /nfs/dbraw/zinc/57/84/28/437578428.db2.gz SSBZODZCOCWAKA-LBPRGKRZSA-N 1 2 342.421 0.251 20 30 ECEDLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(C#N)o2)C1 ZINC000330674048 437584475 /nfs/dbraw/zinc/58/44/75/437584475.db2.gz QCBAKMRCCXALAC-ZDUSSCGKSA-N 1 2 327.406 0.786 20 30 ECEDLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(C#N)o2)C1 ZINC000330674048 437584481 /nfs/dbraw/zinc/58/44/81/437584481.db2.gz QCBAKMRCCXALAC-ZDUSSCGKSA-N 1 2 327.406 0.786 20 30 ECEDLO C[C@H](O)C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)CO ZINC000190857587 437640979 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C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2CCC[C@@H](OC)C2)CC1 ZINC000369797423 438516753 /nfs/dbraw/zinc/51/67/53/438516753.db2.gz VGTWPWOXGOREMI-IAGOWNOFSA-N 1 2 349.475 0.865 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2CCC[C@@H](OC)C2)CC1 ZINC000369797423 438516758 /nfs/dbraw/zinc/51/67/58/438516758.db2.gz VGTWPWOXGOREMI-IAGOWNOFSA-N 1 2 349.475 0.865 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000369946253 438533934 /nfs/dbraw/zinc/53/39/34/438533934.db2.gz AIFKXQHYBLJONP-LBPRGKRZSA-N 1 2 325.438 0.987 20 30 ECEDLO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000408425930 438572272 /nfs/dbraw/zinc/57/22/72/438572272.db2.gz IBCIHUAGXGSEHU-OAHLLOKOSA-N 1 2 342.399 0.642 20 30 ECEDLO COC(=O)[C@H](O)C1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000441264460 438580591 /nfs/dbraw/zinc/58/05/91/438580591.db2.gz KSPRFHVBXVBTAQ-HUUCEWRRSA-N 1 2 331.372 0.331 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000444807914 438665898 /nfs/dbraw/zinc/66/58/98/438665898.db2.gz YEQBLCOYUOUHQJ-STQMWFEESA-N 1 2 327.450 0.836 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000444807914 438665903 /nfs/dbraw/zinc/66/59/03/438665903.db2.gz YEQBLCOYUOUHQJ-STQMWFEESA-N 1 2 327.450 0.836 20 30 ECEDLO C[C@@H](CCC#N)[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000411168374 438671178 /nfs/dbraw/zinc/67/11/78/438671178.db2.gz NTWMKJIQSODQGW-SOUVJXGZSA-N 1 2 344.481 0.650 20 30 ECEDLO CC(C)(CNC(=O)C(=O)Nc1cccc(CC#N)c1)[NH+]1CCOCC1 ZINC000453584582 438684593 /nfs/dbraw/zinc/68/45/93/438684593.db2.gz WJOBOTXUHKZWMG-UHFFFAOYSA-N 1 2 344.415 0.918 20 30 ECEDLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000453722422 438692156 /nfs/dbraw/zinc/69/21/56/438692156.db2.gz TZRHLIPQXSMINY-CYBMUJFWSA-N 1 2 330.388 0.216 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000451024481 438694816 /nfs/dbraw/zinc/69/48/16/438694816.db2.gz WYDVUYBHPBVGGH-CQSZACIVSA-N 1 2 329.404 0.775 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000451024481 438694820 /nfs/dbraw/zinc/69/48/20/438694820.db2.gz WYDVUYBHPBVGGH-CQSZACIVSA-N 1 2 329.404 0.775 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000451204438 438696293 /nfs/dbraw/zinc/69/62/93/438696293.db2.gz UHPMIRUMZIBWQR-UHFFFAOYSA-N 1 2 330.388 0.762 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000451204438 438696296 /nfs/dbraw/zinc/69/62/96/438696296.db2.gz UHPMIRUMZIBWQR-UHFFFAOYSA-N 1 2 330.388 0.762 20 30 ECEDLO C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@](C)(c2ccccc2F)C1=O ZINC000414130314 438699767 /nfs/dbraw/zinc/69/97/67/438699767.db2.gz JIFVDFBJVKHJLT-SJKOYZFVSA-N 1 2 348.378 0.799 20 30 ECEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@](C)(c2ccccc2F)C1=O ZINC000414130314 438699770 /nfs/dbraw/zinc/69/97/70/438699770.db2.gz JIFVDFBJVKHJLT-SJKOYZFVSA-N 1 2 348.378 0.799 20 30 ECEDLO C=CC[C@@H](CO)NC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000500577340 438797067 /nfs/dbraw/zinc/79/70/67/438797067.db2.gz ACHOMFAMGJNBOF-DXCKQFNASA-N 1 2 346.431 0.915 20 30 ECEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC000555021674 438771826 /nfs/dbraw/zinc/77/18/26/438771826.db2.gz OBQHAWWILUNUAV-GASCZTMLSA-N 1 2 342.447 0.975 20 30 ECEDLO C[C@H](O)[C@@H]1CCN(c2cc(N3CCN(CCC#N)CC3)nc[nH+]2)C1 ZINC000601262329 438836384 /nfs/dbraw/zinc/83/63/84/438836384.db2.gz ZWXOQDVNVRYUSF-LSDHHAIUSA-N 1 2 330.436 0.719 20 30 ECEDLO N#Cc1sccc1N1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000595633092 438836396 /nfs/dbraw/zinc/83/63/96/438836396.db2.gz LXVMMGWWLSPHAY-CQSZACIVSA-N 1 2 336.461 0.435 20 30 ECEDLO CCn1cnc2c(c1=O)CC[N@@H+]([C@H](C)C(=O)NC1(C#N)CCC1)C2 ZINC000560405129 438840158 /nfs/dbraw/zinc/84/01/58/438840158.db2.gz MLUPGHGOQDIRSA-GFCCVEGCSA-N 1 2 329.404 0.572 20 30 ECEDLO CCn1cnc2c(c1=O)CC[N@H+]([C@H](C)C(=O)NC1(C#N)CCC1)C2 ZINC000560405129 438840163 /nfs/dbraw/zinc/84/01/63/438840163.db2.gz MLUPGHGOQDIRSA-GFCCVEGCSA-N 1 2 329.404 0.572 20 30 ECEDLO CO[C@@]1(CO)CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000595659919 438840958 /nfs/dbraw/zinc/84/09/58/438840958.db2.gz QYFLNEZSTKLJFS-HNNXBMFYSA-N 1 2 339.417 0.200 20 30 ECEDLO CO[C@@]1(CO)CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000595659919 438840961 /nfs/dbraw/zinc/84/09/61/438840961.db2.gz QYFLNEZSTKLJFS-HNNXBMFYSA-N 1 2 339.417 0.200 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)nc1 ZINC000595729900 438851889 /nfs/dbraw/zinc/85/18/89/438851889.db2.gz WOCMATTYZWUKIV-KBPBESRZSA-N 1 2 348.428 0.327 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)nc1 ZINC000595729900 438851894 /nfs/dbraw/zinc/85/18/94/438851894.db2.gz WOCMATTYZWUKIV-KBPBESRZSA-N 1 2 348.428 0.327 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccccc2CC#N)[C@@H](C)C[N@@H+]1CCO ZINC000601443991 438896592 /nfs/dbraw/zinc/89/65/92/438896592.db2.gz MRLHYXYENHSDDR-KGLIPLIRSA-N 1 2 337.445 0.828 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccccc2CC#N)[C@@H](C)C[N@H+]1CCO ZINC000601443991 438896595 /nfs/dbraw/zinc/89/65/95/438896595.db2.gz MRLHYXYENHSDDR-KGLIPLIRSA-N 1 2 337.445 0.828 20 30 ECEDLO CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C1 ZINC000563220823 438860476 /nfs/dbraw/zinc/86/04/76/438860476.db2.gz VYEQXLZCSRSUOS-JSGCOSHPSA-N 1 2 330.454 0.008 20 30 ECEDLO N#Cc1cnnc(N2CC[NH+](CC(=O)NCc3ccccc3)CC2)c1 ZINC000596065746 438920455 /nfs/dbraw/zinc/92/04/55/438920455.db2.gz JWZZERVMRQRNRJ-UHFFFAOYSA-N 1 2 336.399 0.787 20 30 ECEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1 ZINC000578544416 438934373 /nfs/dbraw/zinc/93/43/73/438934373.db2.gz GEAXBRKCNQOFDS-CABCVRRESA-N 1 2 327.388 0.574 20 30 ECEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1 ZINC000578544416 438934376 /nfs/dbraw/zinc/93/43/76/438934376.db2.gz GEAXBRKCNQOFDS-CABCVRRESA-N 1 2 327.388 0.574 20 30 ECEDLO C=C[C@@](C)(O)C(=O)NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000601645154 438947638 /nfs/dbraw/zinc/94/76/38/438947638.db2.gz JLOPYRPKCXLGOU-QGZVFWFLSA-N 1 2 336.457 0.804 20 30 ECEDLO Cn1c[nH+]cc1CCn1cc(CN2CCOCC2)cc(C#N)c1=O ZINC000596287747 438950484 /nfs/dbraw/zinc/95/04/84/438950484.db2.gz YZOLGLGKDKAQRO-UHFFFAOYSA-N 1 2 327.388 0.528 20 30 ECEDLO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000565517086 438957963 /nfs/dbraw/zinc/95/79/63/438957963.db2.gz UMJBQRXMFQSIDY-GFCCVEGCSA-N 1 2 330.392 0.309 20 30 ECEDLO CN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCC[C@@H]1C#N ZINC000601810676 438975579 /nfs/dbraw/zinc/97/55/79/438975579.db2.gz ORJSGENKAGIZCJ-BZUAXINKSA-N 1 2 348.447 0.318 20 30 ECEDLO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)CC[N@@H+]1CCO ZINC000602034748 439001267 /nfs/dbraw/zinc/00/12/67/439001267.db2.gz KIWCGYUTQNWSLV-LLVKDONJSA-N 1 2 334.351 0.161 20 30 ECEDLO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)CC[N@H+]1CCO ZINC000602034748 439001271 /nfs/dbraw/zinc/00/12/71/439001271.db2.gz KIWCGYUTQNWSLV-LLVKDONJSA-N 1 2 334.351 0.161 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1cccc(CC#N)c1 ZINC000591333841 439006227 /nfs/dbraw/zinc/00/62/27/439006227.db2.gz YSQVKKUGZVAZAX-UONOGXRCSA-N 1 2 337.445 0.828 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1cccc(CC#N)c1 ZINC000591333841 439006229 /nfs/dbraw/zinc/00/62/29/439006229.db2.gz YSQVKKUGZVAZAX-UONOGXRCSA-N 1 2 337.445 0.828 20 30 ECEDLO C=C(C)CN(CC)C(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000459826206 439009342 /nfs/dbraw/zinc/00/93/42/439009342.db2.gz WJQXMXHBSMUAKU-UHFFFAOYSA-N 1 2 325.453 0.980 20 30 ECEDLO C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)n1nnc(-c2ccccc2)n1 ZINC000566306191 439038225 /nfs/dbraw/zinc/03/82/25/439038225.db2.gz ITTXUUZNEHYOFY-BLLLJJGKSA-N 1 2 327.392 0.861 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(Cc2cccc(C#N)n2)CC1 ZINC000602464506 439091145 /nfs/dbraw/zinc/09/11/45/439091145.db2.gz YOFNPSPJYMPVRB-HNNXBMFYSA-N 1 2 345.447 0.612 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(C(=O)OC)n2C)CC1 ZINC000602429028 439083902 /nfs/dbraw/zinc/08/39/02/439083902.db2.gz BWLQXMSWKNTNAF-UHFFFAOYSA-N 1 2 334.420 0.232 20 30 ECEDLO Cc1cc(N2CC[C@H]([NH+]3C[C@@H](C)N(CC#N)[C@H](C)C3)C2=O)n(C)n1 ZINC000602866538 439146409 /nfs/dbraw/zinc/14/64/09/439146409.db2.gz VUJDWYNQIPBLHS-KFWWJZLASA-N 1 2 330.436 0.752 20 30 ECEDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907774 439156367 /nfs/dbraw/zinc/15/63/67/439156367.db2.gz VYUTWZMRQSYZHF-JKSUJKDBSA-N 1 2 335.429 0.945 20 30 ECEDLO COc1ccc(CCNC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)cc1OC ZINC000592148466 439166365 /nfs/dbraw/zinc/16/63/65/439166365.db2.gz VLAYTUXADGBOHP-GOSISDBHSA-N 1 2 347.415 0.713 20 30 ECEDLO COc1ccc(CCNC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)cc1OC ZINC000592148466 439166370 /nfs/dbraw/zinc/16/63/70/439166370.db2.gz VLAYTUXADGBOHP-GOSISDBHSA-N 1 2 347.415 0.713 20 30 ECEDLO CNC(=O)NC[C@@H]1COCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000603000122 439181004 /nfs/dbraw/zinc/18/10/04/439181004.db2.gz VNRBXXUERACMOW-OAHLLOKOSA-N 1 2 332.404 0.957 20 30 ECEDLO CNC(=O)NC[C@@H]1COCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000603000122 439181009 /nfs/dbraw/zinc/18/10/09/439181009.db2.gz VNRBXXUERACMOW-OAHLLOKOSA-N 1 2 332.404 0.957 20 30 ECEDLO CCOC(=O)[C@@]1(C)C[N@H+](C[C@@H](O)COc2ccccc2C#N)CCO1 ZINC000603005892 439182688 /nfs/dbraw/zinc/18/26/88/439182688.db2.gz SPEILDZJGLFQPO-CRAIPNDOSA-N 1 2 348.399 0.952 20 30 ECEDLO CCOC(=O)[C@@]1(C)C[N@@H+](C[C@@H](O)COc2ccccc2C#N)CCO1 ZINC000603005892 439182693 /nfs/dbraw/zinc/18/26/93/439182693.db2.gz SPEILDZJGLFQPO-CRAIPNDOSA-N 1 2 348.399 0.952 20 30 ECEDLO N#Cc1cnn2cc(C[N@H+]3CC[C@@H](NC(=O)NC4CC4)C3)cnc12 ZINC000581251483 439189503 /nfs/dbraw/zinc/18/95/03/439189503.db2.gz SNCMRTIGGCWMBC-CQSZACIVSA-N 1 2 325.376 0.637 20 30 ECEDLO N#Cc1cnn2cc(C[N@@H+]3CC[C@@H](NC(=O)NC4CC4)C3)cnc12 ZINC000581251483 439189506 /nfs/dbraw/zinc/18/95/06/439189506.db2.gz SNCMRTIGGCWMBC-CQSZACIVSA-N 1 2 325.376 0.637 20 30 ECEDLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000567895782 439193645 /nfs/dbraw/zinc/19/36/45/439193645.db2.gz XRBDUDQDOXIDMH-CQSZACIVSA-N 1 2 348.432 0.505 20 30 ECEDLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000567895782 439193652 /nfs/dbraw/zinc/19/36/52/439193652.db2.gz XRBDUDQDOXIDMH-CQSZACIVSA-N 1 2 348.432 0.505 20 30 ECEDLO C[C@H](C(=O)N1CCN(c2ccsc2C#N)CC1)[NH+]1CCN(C)CC1 ZINC000597937383 439201815 /nfs/dbraw/zinc/20/18/15/439201815.db2.gz OHWPIIPEBZXICA-CQSZACIVSA-N 1 2 347.488 0.904 20 30 ECEDLO COCC[NH+]1CCN(C(=O)C(=O)NCc2ccc(CC#N)cc2)CC1 ZINC000568510391 439252392 /nfs/dbraw/zinc/25/23/92/439252392.db2.gz LFKVAQBDFYCEJO-UHFFFAOYSA-N 1 2 344.415 0.159 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCc3c(cccc3OC)C2)CC1 ZINC000490935425 439316161 /nfs/dbraw/zinc/31/61/61/439316161.db2.gz MITZYQZNBAQFKM-UHFFFAOYSA-N 1 2 327.428 0.831 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCc3c(cccc3OC)C2)CC1 ZINC000490935425 439316166 /nfs/dbraw/zinc/31/61/66/439316166.db2.gz MITZYQZNBAQFKM-UHFFFAOYSA-N 1 2 327.428 0.831 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](CN2C(=O)N[C@H](CCCC)C2=O)CC1 ZINC000491121927 439335005 /nfs/dbraw/zinc/33/50/05/439335005.db2.gz SRDRRRRWSMZBOG-CQSZACIVSA-N 1 2 334.420 0.516 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCCC[C@@H]2c2nc(C)no2)CC1 ZINC000491125025 439335930 /nfs/dbraw/zinc/33/59/30/439335930.db2.gz APCNIJJMAXFAIO-OAHLLOKOSA-N 1 2 331.420 0.682 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2cccc(-c3ncn(C)n3)c2)CC1 ZINC000490742434 439294172 /nfs/dbraw/zinc/29/41/72/439294172.db2.gz XQUOONMURYFOBB-UHFFFAOYSA-N 1 2 339.399 0.638 20 30 ECEDLO C#CCN1CCN(C(=O)CO[NH+]=C(N)c2ccc(OC)cc2)CC1 ZINC000490778780 439297607 /nfs/dbraw/zinc/29/76/07/439297607.db2.gz LBSVOAXISRDCKJ-UHFFFAOYSA-N 1 2 330.388 0.110 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2nnnc2/C=C\c2ccccc2)CC1 ZINC000490819932 439301233 /nfs/dbraw/zinc/30/12/33/439301233.db2.gz LMZALTHVCQXVQV-HJWRWDBZSA-N 1 2 336.399 0.621 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCC(=O)C[C@H]2C)CC1 ZINC000490873338 439307122 /nfs/dbraw/zinc/30/71/22/439307122.db2.gz ILXWBFGEZCSXHA-ZBFHGGJFSA-N 1 2 333.432 0.275 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC(=O)C[C@H]2C)CC1 ZINC000490873338 439307127 /nfs/dbraw/zinc/30/71/27/439307127.db2.gz ILXWBFGEZCSXHA-ZBFHGGJFSA-N 1 2 333.432 0.275 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(CC)c2O)CC1 ZINC000490915281 439311785 /nfs/dbraw/zinc/31/17/85/439311785.db2.gz MUCLSTJPUBOKOL-UHFFFAOYSA-N 1 2 343.427 0.852 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(CC)c2O)CC1 ZINC000490915281 439311791 /nfs/dbraw/zinc/31/17/91/439311791.db2.gz MUCLSTJPUBOKOL-UHFFFAOYSA-N 1 2 343.427 0.852 20 30 ECEDLO CNC(=O)NC[C@@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)CCO1 ZINC000528621329 439351766 /nfs/dbraw/zinc/35/17/66/439351766.db2.gz GJGSZUXALXGDLB-OAHLLOKOSA-N 1 2 345.403 0.517 20 30 ECEDLO CNC(=O)NC[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CCO1 ZINC000528621329 439351769 /nfs/dbraw/zinc/35/17/69/439351769.db2.gz GJGSZUXALXGDLB-OAHLLOKOSA-N 1 2 345.403 0.517 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000491241080 439353827 /nfs/dbraw/zinc/35/38/27/439353827.db2.gz GQPGCZOQWYGBAI-ZIAGYGMSSA-N 1 2 325.430 0.842 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000491241080 439353832 /nfs/dbraw/zinc/35/38/32/439353832.db2.gz GQPGCZOQWYGBAI-ZIAGYGMSSA-N 1 2 325.430 0.842 20 30 ECEDLO CC[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(C)c(C#N)c1 ZINC000599257263 439404139 /nfs/dbraw/zinc/40/41/39/439404139.db2.gz KXGJFZOYHIBQCL-INIZCTEOSA-N 1 2 349.456 0.992 20 30 ECEDLO CC[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(C)c(C#N)c1 ZINC000599257263 439404142 /nfs/dbraw/zinc/40/41/42/439404142.db2.gz KXGJFZOYHIBQCL-INIZCTEOSA-N 1 2 349.456 0.992 20 30 ECEDLO Cc1ncc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cc1C#N ZINC000570057832 439388270 /nfs/dbraw/zinc/38/82/70/439388270.db2.gz IAWWNLYINUNFHW-INIZCTEOSA-N 1 2 343.412 0.992 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN[C@@](C)(c2noc(C)n2)C2CC2)CC1 ZINC000491675277 439424313 /nfs/dbraw/zinc/42/43/13/439424313.db2.gz ZAMLDWXVHAOFLG-QGZVFWFLSA-N 1 2 331.420 0.370 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cnc3c(Cl)nccc3c2=O)CC1 ZINC000491708150 439432698 /nfs/dbraw/zinc/43/26/98/439432698.db2.gz OMNLKXXQYIYGKM-UHFFFAOYSA-N 1 2 345.790 0.222 20 30 ECEDLO C#C[C@@H]1COCCN1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000491787061 439450920 /nfs/dbraw/zinc/45/09/20/439450920.db2.gz XFDMBUVXIYFZJK-ZBFHGGJFSA-N 1 2 339.461 0.238 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000599440114 439467699 /nfs/dbraw/zinc/46/76/99/439467699.db2.gz FREXISZVLCQKQK-WMLDXEAASA-N 1 2 332.452 0.970 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(Cc2cn[nH]c2)CC1 ZINC000599440114 439467702 /nfs/dbraw/zinc/46/77/02/439467702.db2.gz FREXISZVLCQKQK-WMLDXEAASA-N 1 2 332.452 0.970 20 30 ECEDLO CNC(=O)COc1cccc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000583568063 439481804 /nfs/dbraw/zinc/48/18/04/439481804.db2.gz VGZGWXHACDEZKK-KRWDZBQOSA-N 1 2 332.404 0.314 20 30 ECEDLO N#CCc1ccc(CNC(=O)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000583629767 439491017 /nfs/dbraw/zinc/49/10/17/439491017.db2.gz DOPADUIUKLCZJK-UHFFFAOYSA-N 1 2 325.372 0.772 20 30 ECEDLO Cc1nnc([C@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)o1 ZINC000542617108 439556983 /nfs/dbraw/zinc/55/69/83/439556983.db2.gz PUKLEWIHPSTKMG-GXTWGEPZSA-N 1 2 334.424 0.721 20 30 ECEDLO CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCN([C@@H](C#N)C(C)C)CC2)CC1 ZINC000609485079 439571339 /nfs/dbraw/zinc/57/13/39/439571339.db2.gz IMLSAHYRYVIBCN-RDJZCZTQSA-N 1 2 349.479 0.231 20 30 ECEDLO N#CC1(CS(=O)(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000547331484 439574384 /nfs/dbraw/zinc/57/43/84/439574384.db2.gz TURCJYKWOJEFLW-KGLIPLIRSA-N 1 2 327.450 0.853 20 30 ECEDLO N#Cc1ccc(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)nc1 ZINC000609577746 439577557 /nfs/dbraw/zinc/57/75/57/439577557.db2.gz PDOXXBBXINWVEA-UHFFFAOYSA-N 1 2 341.415 0.627 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000572579904 439592945 /nfs/dbraw/zinc/59/29/45/439592945.db2.gz USUQHIJIKGSVCX-ZDUSSCGKSA-N 1 2 342.403 0.476 20 30 ECEDLO C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@@](C)(c2nccs2)C1=O ZINC000594716292 439595999 /nfs/dbraw/zinc/59/59/99/439595999.db2.gz OHJLTMCLRVYIEG-YGRLFVJLSA-N 1 2 337.405 0.116 20 30 ECEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@@](C)(c2nccs2)C1=O ZINC000594716292 439596000 /nfs/dbraw/zinc/59/60/00/439596000.db2.gz OHJLTMCLRVYIEG-YGRLFVJLSA-N 1 2 337.405 0.116 20 30 ECEDLO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2nc(C(N)=O)cs2)cc1 ZINC000594733503 439598723 /nfs/dbraw/zinc/59/87/23/439598723.db2.gz WMRBNDIJEBDGMU-GFCCVEGCSA-N 1 2 346.412 0.838 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NC3CCC3)CC2)cc1 ZINC000585723546 439645117 /nfs/dbraw/zinc/64/51/17/439645117.db2.gz QLIMXHOADLJNDJ-UHFFFAOYSA-N 1 2 326.400 0.871 20 30 ECEDLO CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(C#N)n1)[NH+]1CCOCC1 ZINC000574634625 439719122 /nfs/dbraw/zinc/71/91/22/439719122.db2.gz DOTTXSGARYNBOU-AWEZNQCLSA-N 1 2 345.403 0.365 20 30 ECEDLO N#Cc1ccc(N2CCN(C(=O)C3([NH+]4CCOCC4)CC3)CC2)nc1 ZINC000601008312 439723138 /nfs/dbraw/zinc/72/31/38/439723138.db2.gz MAULKHAGRDQPBY-UHFFFAOYSA-N 1 2 341.415 0.467 20 30 ECEDLO COc1ccccc1CCNC(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611175462 439677773 /nfs/dbraw/zinc/67/77/73/439677773.db2.gz YZULRPNGAKCBSX-UHFFFAOYSA-N 1 2 330.432 0.885 20 30 ECEDLO N#Cc1ccncc1C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000600680477 439688224 /nfs/dbraw/zinc/68/82/24/439688224.db2.gz CLUHVYBAVDJONB-MRXNPFEDSA-N 1 2 337.383 0.979 20 30 ECEDLO N#Cc1ccncc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000600680477 439688226 /nfs/dbraw/zinc/68/82/26/439688226.db2.gz CLUHVYBAVDJONB-MRXNPFEDSA-N 1 2 337.383 0.979 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)c1 ZINC000600681505 439688315 /nfs/dbraw/zinc/68/83/15/439688315.db2.gz JHESWUXVRLDYGN-OAHLLOKOSA-N 1 2 325.372 0.912 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)c1 ZINC000600681505 439688319 /nfs/dbraw/zinc/68/83/19/439688319.db2.gz JHESWUXVRLDYGN-OAHLLOKOSA-N 1 2 325.372 0.912 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2[nH]nc(C)c2C(=O)OCC)CC1 ZINC000595285246 439690836 /nfs/dbraw/zinc/69/08/36/439690836.db2.gz RXGKCAQAKFLVRN-UHFFFAOYSA-N 1 2 349.435 0.315 20 30 ECEDLO Cc1nn(C)c(N2CC[NH+](CCN3C[C@H](C)O[C@@H](C)C3)CC2)c1C#N ZINC000595459390 439729617 /nfs/dbraw/zinc/72/96/17/439729617.db2.gz ZEWVHPUQVUDMFZ-GJZGRUSLSA-N 1 2 346.479 0.831 20 30 ECEDLO C=CC[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCOCC)CC2)C1 ZINC000658459076 439947627 /nfs/dbraw/zinc/94/76/27/439947627.db2.gz CJYNCFQXSAVISS-INIZCTEOSA-N 1 2 337.464 0.982 20 30 ECEDLO C=CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000642721157 440014311 /nfs/dbraw/zinc/01/43/11/440014311.db2.gz IEBPFNFLDHKXRT-UHFFFAOYSA-N 1 2 330.388 0.315 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633316755 440480109 /nfs/dbraw/zinc/48/01/09/440480109.db2.gz BVNSEYOCWIHMPT-RDJZCZTQSA-N 1 2 345.447 0.937 20 30 ECEDLO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)c(=O)[nH]c1=O ZINC000661156843 440803960 /nfs/dbraw/zinc/80/39/60/440803960.db2.gz YXRWLCFXKIABSR-LBPRGKRZSA-N 1 2 347.419 0.995 20 30 ECEDLO CC(C)Cn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](CC#N)C2)c(=O)[nH]c1=O ZINC000661156843 440803966 /nfs/dbraw/zinc/80/39/66/440803966.db2.gz YXRWLCFXKIABSR-LBPRGKRZSA-N 1 2 347.419 0.995 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O ZINC000661881091 440928756 /nfs/dbraw/zinc/92/87/56/440928756.db2.gz BHBBPRQVNKPCAJ-XQLPTFJDSA-N 1 2 342.461 0.319 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O ZINC000661881091 440928761 /nfs/dbraw/zinc/92/87/61/440928761.db2.gz BHBBPRQVNKPCAJ-XQLPTFJDSA-N 1 2 342.461 0.319 20 30 ECEDLO CC#CC[NH2+]Cc1cn(Cc2cc(=O)n3c(C)csc3n2)nn1 ZINC000640838168 441003392 /nfs/dbraw/zinc/00/33/92/441003392.db2.gz HZDJQTYMVIVBMN-UHFFFAOYSA-N 1 2 328.401 0.817 20 30 ECEDLO C=CCCn1cc(C[NH2+][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)nn1 ZINC000657381073 441004092 /nfs/dbraw/zinc/00/40/92/441004092.db2.gz CAWNOUPMNIJTED-WFASDCNBSA-N 1 2 329.408 0.871 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)NCC(=O)c2cccs2)nn1 ZINC000641040109 441048930 /nfs/dbraw/zinc/04/89/30/441048930.db2.gz YDWQYIATUCCEFS-UHFFFAOYSA-N 1 2 331.401 0.452 20 30 ECEDLO C[C@H]1C[N@H+](CCNC(=O)CNC(=O)c2ccc(C#N)cc2)CCO1 ZINC000547453263 322128012 /nfs/dbraw/zinc/12/80/12/322128012.db2.gz WKKZBUSSBNWFTO-ZDUSSCGKSA-N 1 2 330.388 0.125 20 30 ECEDLO C[C@H]1C[N@@H+](CCNC(=O)CNC(=O)c2ccc(C#N)cc2)CCO1 ZINC000547453263 322128015 /nfs/dbraw/zinc/12/80/15/322128015.db2.gz WKKZBUSSBNWFTO-ZDUSSCGKSA-N 1 2 330.388 0.125 20 30 ECEDLO Cn1cc(Cl)c(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)n1 ZINC000574822690 322786059 /nfs/dbraw/zinc/78/60/59/322786059.db2.gz BUXQZDDVCTWWMH-UHFFFAOYSA-N 1 2 347.806 0.987 20 30 ECEDLO Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000328705680 546004514 /nfs/dbraw/zinc/00/45/14/546004514.db2.gz LERFXYJASUIXTP-LBPRGKRZSA-N 1 2 334.424 0.560 20 30 ECEDLO Cc1cc(=O)c(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)cn1C1CC1 ZINC000328795240 546007122 /nfs/dbraw/zinc/00/71/22/546007122.db2.gz TVUFARVQTFYHIC-CQSZACIVSA-N 1 2 335.404 0.489 20 30 ECEDLO CC1(C)COCC[N@@H+]1CCNC(=O)CCC(=O)N1CCOCC1 ZINC000328915800 546010033 /nfs/dbraw/zinc/01/00/33/546010033.db2.gz JWKQXGOFJGTBPK-UHFFFAOYSA-N 1 2 327.425 0.693 20 30 ECEDLO CC1(C)COCC[N@H+]1CCNC(=O)CCC(=O)N1CCOCC1 ZINC000328915800 546010039 /nfs/dbraw/zinc/01/00/39/546010039.db2.gz JWKQXGOFJGTBPK-UHFFFAOYSA-N 1 2 327.425 0.693 20 30 ECEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)Cn2cnc3sccc3c2=O)C1 ZINC000329390704 546022931 /nfs/dbraw/zinc/02/29/31/546022931.db2.gz VATBKTPWDMOTCY-NSHDSACASA-N 1 2 335.433 0.660 20 30 ECEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)Cn2cnc3sccc3c2=O)C1 ZINC000329390704 546022934 /nfs/dbraw/zinc/02/29/34/546022934.db2.gz VATBKTPWDMOTCY-NSHDSACASA-N 1 2 335.433 0.660 20 30 ECEDLO CCOC1CC(CNC(=O)[C@@H]2CCC(=O)N2C)([NH+]2CCOCC2)C1 ZINC000329520305 546026578 /nfs/dbraw/zinc/02/65/78/546026578.db2.gz QIECXTFEANEPIB-UUCFBXCCSA-N 1 2 339.436 0.834 20 30 ECEDLO COCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)C1 ZINC000329701007 546031838 /nfs/dbraw/zinc/03/18/38/546031838.db2.gz HDURBJWTMYCKRP-AVGNSLFASA-N 1 2 333.454 0.129 20 30 ECEDLO COCC[N@H+]1CC[C@H](NC(=O)N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)C1 ZINC000329701007 546031843 /nfs/dbraw/zinc/03/18/43/546031843.db2.gz HDURBJWTMYCKRP-AVGNSLFASA-N 1 2 333.454 0.129 20 30 ECEDLO C=CC[N@@H+](C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000440290417 546229155 /nfs/dbraw/zinc/22/91/55/546229155.db2.gz BQWVXCGQPFJHEI-YHUYYLMFSA-N 1 2 346.493 0.132 20 30 ECEDLO C=CC[N@H+](C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000440290417 546229158 /nfs/dbraw/zinc/22/91/58/546229158.db2.gz BQWVXCGQPFJHEI-YHUYYLMFSA-N 1 2 346.493 0.132 20 30 ECEDLO C=C[C@H](C(=O)OC)N1CC[NH+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000619716495 546363402 /nfs/dbraw/zinc/36/34/02/546363402.db2.gz MJJAQFAHNRDCGX-BZUAXINKSA-N 1 2 337.464 0.836 20 30 ECEDLO C=CCN(C(=O)[C@H]1CCn2cc(C)[nH+]c2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000624489992 546928811 /nfs/dbraw/zinc/92/88/11/546928811.db2.gz KEPPSXUUMXAJBG-UONOGXRCSA-N 1 2 337.445 0.956 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCN(C)c3cc(F)ccc32)CC1 ZINC000748822866 579329536 /nfs/dbraw/zinc/32/95/36/579329536.db2.gz IPFUOVOZVKYRHE-UHFFFAOYSA-N 1 2 330.407 0.859 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)N3C)CC1 ZINC000749993365 579345807 /nfs/dbraw/zinc/34/58/07/579345807.db2.gz DJJGPUYGQFFKRS-ZDUSSCGKSA-N 1 2 326.400 0.854 20 30 ECEDLO C#CCOCCNC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000753230761 579397474 /nfs/dbraw/zinc/39/74/74/579397474.db2.gz KAMANSNGXYTZBY-UHFFFAOYSA-N 1 2 338.429 0.402 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1ccc2c[nH]nc2c1 ZINC000755497798 579434291 /nfs/dbraw/zinc/43/42/91/579434291.db2.gz ALSQCFDFRUEBGH-UHFFFAOYSA-N 1 2 332.433 0.693 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000755954214 579442415 /nfs/dbraw/zinc/44/24/15/579442415.db2.gz NQZGAMCXABHOIR-IVZQSRNASA-N 1 2 327.494 0.572 20 30 ECEDLO C=CCCOCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000757027051 579458287 /nfs/dbraw/zinc/45/82/87/579458287.db2.gz LOQPOTBUZKZZOV-UHFFFAOYSA-N 1 2 347.481 0.387 20 30 ECEDLO C=C(C)CNC(=S)N1CC[NH+]([C@@H](C)C(=O)NCCCOC)CC1 ZINC000728796392 578291133 /nfs/dbraw/zinc/29/11/33/578291133.db2.gz YTXCRTLVIZNFKN-AWEZNQCLSA-N 1 2 342.509 0.596 20 30 ECEDLO C#CCN(C(=O)c1ccnc(-n2cc[nH+]c2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000729334808 578295217 /nfs/dbraw/zinc/29/52/17/578295217.db2.gz VOOWZBGLOJDHNM-CQSZACIVSA-N 1 2 344.396 0.530 20 30 ECEDLO N#CCn1c(C[N@H+]2CCC[C@@H](OCCO)C2)nc2ccccc2c1=O ZINC000734486040 578361198 /nfs/dbraw/zinc/36/11/98/578361198.db2.gz YRRXNQCFMIVLAN-CQSZACIVSA-N 1 2 342.399 0.893 20 30 ECEDLO N#CCn1c(C[N@@H+]2CCC[C@@H](OCCO)C2)nc2ccccc2c1=O ZINC000734486040 578361200 /nfs/dbraw/zinc/36/12/00/578361200.db2.gz YRRXNQCFMIVLAN-CQSZACIVSA-N 1 2 342.399 0.893 20 30 ECEDLO N#Cc1cc(F)cc(C2(C(=O)N3CCC[N@@H+](CC(N)=O)CC3)CC2)c1 ZINC000796137450 578623001 /nfs/dbraw/zinc/62/30/01/578623001.db2.gz HSEGFJKDAPZDEC-UHFFFAOYSA-N 1 2 344.390 0.749 20 30 ECEDLO N#Cc1cc(F)cc(C2(C(=O)N3CCC[N@H+](CC(N)=O)CC3)CC2)c1 ZINC000796137450 578623002 /nfs/dbraw/zinc/62/30/02/578623002.db2.gz HSEGFJKDAPZDEC-UHFFFAOYSA-N 1 2 344.390 0.749 20 30 ECEDLO C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000799287880 578662635 /nfs/dbraw/zinc/66/26/35/578662635.db2.gz UWOYXIJZBFGJBV-OAHLLOKOSA-N 1 2 326.356 0.701 20 30 ECEDLO COc1cc(C=NNC(=S)NCC[NH+]2CCOCC2)ccc1C#N ZINC000799468516 578665489 /nfs/dbraw/zinc/66/54/89/578665489.db2.gz YTQPAKHLJHDFFP-UHFFFAOYSA-N 1 2 347.444 0.697 20 30 ECEDLO C#CCC[C@@H](O)CNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000799821508 578670549 /nfs/dbraw/zinc/67/05/49/578670549.db2.gz WUPTXPNJAXTUKP-OAHLLOKOSA-N 1 2 333.413 0.984 20 30 ECEDLO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000780044235 578684806 /nfs/dbraw/zinc/68/48/06/578684806.db2.gz KGYOTHONMFFUMT-GFCCVEGCSA-N 1 2 327.344 0.929 20 30 ECEDLO C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cc[nH+]c(N(C)C)c2)c1=O ZINC000782109574 578720234 /nfs/dbraw/zinc/72/02/34/578720234.db2.gz DNDKWOICLKWOJX-UHFFFAOYSA-N 1 2 343.387 0.053 20 30 ECEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782610154 578729303 /nfs/dbraw/zinc/72/93/03/578729303.db2.gz VEAYLMLCFOAAIQ-KDOFPFPSSA-N 1 2 337.383 0.997 20 30 ECEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782610154 578729305 /nfs/dbraw/zinc/72/93/05/578729305.db2.gz VEAYLMLCFOAAIQ-KDOFPFPSSA-N 1 2 337.383 0.997 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000785478987 578769831 /nfs/dbraw/zinc/76/98/31/578769831.db2.gz SIHAEQMIDSMGQH-CQSZACIVSA-N 1 2 332.429 0.704 20 30 ECEDLO C=CCN(C(=O)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)C(C)C ZINC000785851782 578776358 /nfs/dbraw/zinc/77/63/58/578776358.db2.gz NQIKPGFZDADBEA-UHFFFAOYSA-N 1 2 346.431 0.957 20 30 ECEDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@](F)(C#N)C2)CC1 ZINC000786122634 578780931 /nfs/dbraw/zinc/78/09/31/578780931.db2.gz XUHNNWYSJVTDPM-CQSZACIVSA-N 1 2 346.428 0.143 20 30 ECEDLO C=CCN(CC(=O)OCC)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000766039848 579079370 /nfs/dbraw/zinc/07/93/70/579079370.db2.gz KBHKJSQFDVWWOK-UHFFFAOYSA-N 1 2 334.438 0.090 20 30 ECEDLO CC1(C)C[NH+]=C(N2CCN(C(=O)Cn3cnc(C#N)n3)CC2)S1 ZINC000769224011 579141348 /nfs/dbraw/zinc/14/13/48/579141348.db2.gz AWEWNGKAXBWWEO-UHFFFAOYSA-N 1 2 333.421 0.175 20 30 ECEDLO C[N@H+](CC(=O)OCC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCSC1 ZINC000772050781 579199534 /nfs/dbraw/zinc/19/95/34/579199534.db2.gz YGVJPEMFFRMWCX-SWLSCSKDSA-N 1 2 325.434 0.775 20 30 ECEDLO C[N@@H+](CC(=O)OCC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCSC1 ZINC000772050781 579199535 /nfs/dbraw/zinc/19/95/35/579199535.db2.gz YGVJPEMFFRMWCX-SWLSCSKDSA-N 1 2 325.434 0.775 20 30 ECEDLO CCOCCCNC(=O)[C@@H](C#N)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000773972645 579237616 /nfs/dbraw/zinc/23/76/16/579237616.db2.gz ZDOVIKRLUOZKFE-STQMWFEESA-N 1 2 327.450 0.675 20 30 ECEDLO CCOCCCNC(=O)[C@@H](C#N)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000773972645 579237619 /nfs/dbraw/zinc/23/76/19/579237619.db2.gz ZDOVIKRLUOZKFE-STQMWFEESA-N 1 2 327.450 0.675 20 30 ECEDLO C#CCCCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000774867591 579257910 /nfs/dbraw/zinc/25/79/10/579257910.db2.gz YSZPULIJELTNIT-QGZVFWFLSA-N 1 2 343.427 0.533 20 30 ECEDLO C#CCCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000774867591 579257912 /nfs/dbraw/zinc/25/79/12/579257912.db2.gz YSZPULIJELTNIT-QGZVFWFLSA-N 1 2 343.427 0.533 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccn(C(F)F)n2)CC1 ZINC000775716310 579270411 /nfs/dbraw/zinc/27/04/11/579270411.db2.gz IQOBBKLMVXNPMD-UHFFFAOYSA-N 1 2 339.346 0.176 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccn(C(F)F)n2)CC1 ZINC000775716310 579270412 /nfs/dbraw/zinc/27/04/12/579270412.db2.gz IQOBBKLMVXNPMD-UHFFFAOYSA-N 1 2 339.346 0.176 20 30 ECEDLO C#C[C@@H]([NH2+]CC(=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O)[C@@H]1CCCO1 ZINC000775794380 579271597 /nfs/dbraw/zinc/27/15/97/579271597.db2.gz QHCUETINGMZXRU-YPMHNXCESA-N 1 2 348.403 0.140 20 30 ECEDLO C#CCNS(=O)(=O)N1CCN(Cc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000761023293 579519475 /nfs/dbraw/zinc/51/94/75/579519475.db2.gz GIBKWWQQSHEFNQ-UHFFFAOYSA-N 1 2 347.444 0.228 20 30 ECEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC(C(=O)NCCO)CC1 ZINC000739912194 579721866 /nfs/dbraw/zinc/72/18/66/579721866.db2.gz GGGIIULVAWZEAT-INIZCTEOSA-N 1 2 345.399 0.593 20 30 ECEDLO C#CCSCCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000743168401 579795165 /nfs/dbraw/zinc/79/51/65/579795165.db2.gz FSOMTFOGNGLAAZ-UHFFFAOYSA-N 1 2 337.449 0.703 20 30 ECEDLO COC[C@H](C)/N=C1/NC(=O)[C@H](CC(=O)NCCC[NH+](C)C)S1 ZINC000743277442 579796235 /nfs/dbraw/zinc/79/62/35/579796235.db2.gz QOUCEGKEXNQTKW-QWRGUYRKSA-N 1 2 330.454 0.067 20 30 ECEDLO C=C(Br)CNC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000804772945 586064000 /nfs/dbraw/zinc/06/40/00/586064000.db2.gz PESYJZOGZFFPJF-QWRGUYRKSA-N 1 2 348.241 0.237 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](Nc2nc(Cl)ccc2S(N)(=O)=O)C1 ZINC000895202084 586169111 /nfs/dbraw/zinc/16/91/11/586169111.db2.gz PEVMKUFUFOZSLR-SNVBAGLBSA-N 1 2 328.825 0.892 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](Nc2nc(Cl)ccc2S(N)(=O)=O)C1 ZINC000895202084 586169114 /nfs/dbraw/zinc/16/91/14/586169114.db2.gz PEVMKUFUFOZSLR-SNVBAGLBSA-N 1 2 328.825 0.892 20 30 ECEDLO N#Cc1ccc(N2CC[NH+]([C@H]3CCS(=O)(=O)C3)CC2)c(CO)c1 ZINC000891578431 586178795 /nfs/dbraw/zinc/17/87/95/586178795.db2.gz ZAUYKPMCCJXCGL-HNNXBMFYSA-N 1 2 335.429 0.360 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cnc(CC)s2)CC1 ZINC000895916241 586212613 /nfs/dbraw/zinc/21/26/13/586212613.db2.gz XEPPCVQKYHKQKS-UHFFFAOYSA-N 1 2 328.463 0.291 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc3cnccc3c2)CC1 ZINC000895921076 586214356 /nfs/dbraw/zinc/21/43/56/586214356.db2.gz NCJGKZRQKYODCN-UHFFFAOYSA-N 1 2 344.440 0.820 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1[nH]c2ccccc2c1C#N ZINC000897233917 586290001 /nfs/dbraw/zinc/29/00/01/586290001.db2.gz AWURFKQATRNCTK-ZDUSSCGKSA-N 1 2 342.399 0.805 20 30 ECEDLO O=c1[nH]c2cccc(C=NNC(=S)NCC[NH+]3CCOCC3)c2o1 ZINC000901129535 586695843 /nfs/dbraw/zinc/69/58/43/586695843.db2.gz DCXPBIQDSGXONH-UHFFFAOYSA-N 1 2 349.416 0.664 20 30 ECEDLO C#CCN1CCN(C(=O)CO[NH+]=C(N)Cc2ccccc2F)CC1 ZINC000902623443 586746520 /nfs/dbraw/zinc/74/65/20/586746520.db2.gz QXJWPMRKZYWKJS-UHFFFAOYSA-N 1 2 332.379 0.644 20 30 ECEDLO NC(=NOCCO[C@@H]1CCOC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000902703431 586754975 /nfs/dbraw/zinc/75/49/75/586754975.db2.gz KJXMHBFSTPWBTD-QGZVFWFLSA-N 1 2 349.431 0.961 20 30 ECEDLO C=CCOCC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735437470 586763684 /nfs/dbraw/zinc/76/36/84/586763684.db2.gz JRFYIYZBVRUHCU-UHFFFAOYSA-N 1 2 342.403 0.714 20 30 ECEDLO C[C@H](NS(=O)(=O)c1cc(F)cc(C#N)c1)[C@H]1C[N@H+](C)CCO1 ZINC000866989117 586819105 /nfs/dbraw/zinc/81/91/05/586819105.db2.gz VMMGWUJOJVVUDW-IINYFYTJSA-N 1 2 327.381 0.695 20 30 ECEDLO C[C@H](NS(=O)(=O)c1cc(F)cc(C#N)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000866989117 586819109 /nfs/dbraw/zinc/81/91/09/586819109.db2.gz VMMGWUJOJVVUDW-IINYFYTJSA-N 1 2 327.381 0.695 20 30 ECEDLO COc1ccc(CNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)cc1C#N ZINC000866994083 586823978 /nfs/dbraw/zinc/82/39/78/586823978.db2.gz OMRVAGJXEVVJKO-CQSZACIVSA-N 1 2 339.417 0.317 20 30 ECEDLO COc1ccc(CNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)cc1C#N ZINC000866994083 586823979 /nfs/dbraw/zinc/82/39/79/586823979.db2.gz OMRVAGJXEVVJKO-CQSZACIVSA-N 1 2 339.417 0.317 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)nc1 ZINC000906991790 587004029 /nfs/dbraw/zinc/00/40/29/587004029.db2.gz OTVCSMKGPHTCDV-AWEZNQCLSA-N 1 2 336.417 0.296 20 30 ECEDLO COCCCNC(=O)[C@@H](C)N1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000801918816 587005801 /nfs/dbraw/zinc/00/58/01/587005801.db2.gz ZPKZLCGZIBHRSL-LSDHHAIUSA-N 1 2 326.441 0.074 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(CCO[C@@H](C)C#N)CC1 ZINC000801918816 587005804 /nfs/dbraw/zinc/00/58/04/587005804.db2.gz ZPKZLCGZIBHRSL-LSDHHAIUSA-N 1 2 326.441 0.074 20 30 ECEDLO C=CCN1CCN(C[NH+]2CCC(N(CC)S(C)(=O)=O)CC2)C1=O ZINC000839991515 587053799 /nfs/dbraw/zinc/05/37/99/587053799.db2.gz DXCFAECRLJGWDA-UHFFFAOYSA-N 1 2 344.481 0.613 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)NCc1[nH+]cc(C)c(OC)c1C)[C@@H]1CCCO1 ZINC000803670009 587066284 /nfs/dbraw/zinc/06/62/84/587066284.db2.gz IMCUBUCDWCYGCD-ZFWWWQNUSA-N 1 2 345.399 0.620 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)NCc1ccn2cc[nH+]c2c1)[C@H]1CCCO1 ZINC000806987481 587114002 /nfs/dbraw/zinc/11/40/02/587114002.db2.gz HKENVPORTLRMTL-ZIAGYGMSSA-N 1 2 326.356 0.248 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000807247312 587122745 /nfs/dbraw/zinc/12/27/45/587122745.db2.gz UBSOERJOJATKLY-AAEUAGOBSA-N 1 2 333.392 0.838 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)NCc1[nH+]ccn1CC(C)C)[C@H]1CCCO1 ZINC000807388460 587126261 /nfs/dbraw/zinc/12/62/61/587126261.db2.gz XSLWMCBKUQJHLK-ZIAGYGMSSA-N 1 2 332.404 0.452 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)[C@H]1CCCO1 ZINC000807676461 587134529 /nfs/dbraw/zinc/13/45/29/587134529.db2.gz NOLDLRRGSBZUCQ-YESZJQIVSA-N 1 2 341.411 0.586 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)[C@H]1CCCO1 ZINC000807676461 587134531 /nfs/dbraw/zinc/13/45/31/587134531.db2.gz NOLDLRRGSBZUCQ-YESZJQIVSA-N 1 2 341.411 0.586 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)[C@H]1CCCO1 ZINC000809310085 587174571 /nfs/dbraw/zinc/17/45/71/587174571.db2.gz ASEJAQGPIUYOEN-QLFBSQMISA-N 1 2 330.388 0.344 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCO1 ZINC000809312522 587174845 /nfs/dbraw/zinc/17/48/45/587174845.db2.gz NQVOSPQCGHKVAM-LSDHHAIUSA-N 1 2 342.399 0.027 20 30 ECEDLO C#C[C@H](NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C)[C@@H]1CCCO1 ZINC000811185369 587213939 /nfs/dbraw/zinc/21/39/39/587213939.db2.gz JXOSTGGRBMSYPN-XHSDSOJGSA-N 1 2 346.431 0.780 20 30 ECEDLO C#C[C@H](NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C)[C@@H]1CCCO1 ZINC000811185369 587213941 /nfs/dbraw/zinc/21/39/41/587213941.db2.gz JXOSTGGRBMSYPN-XHSDSOJGSA-N 1 2 346.431 0.780 20 30 ECEDLO CCNc1nc(N=NCc2c[nH+]c(N(C)C)n2C)nc(NCC)n1 ZINC000811631996 587222705 /nfs/dbraw/zinc/22/27/05/587222705.db2.gz VNJYKJIQPXRYSW-UHFFFAOYSA-N 1 2 332.416 0.981 20 30 ECEDLO COc1cc(CNC(=S)NCC[NH+]2CCOCC2)ccc1C#N ZINC000811710876 587223749 /nfs/dbraw/zinc/22/37/49/587223749.db2.gz VIGCJMVAFNXWLY-UHFFFAOYSA-N 1 2 334.445 0.863 20 30 ECEDLO CCC(CC)[C@@H](C(=O)N[C@H]1CCCN(O)C1=O)[NH+]1CCOCC1 ZINC000816757563 587324378 /nfs/dbraw/zinc/32/43/78/587324378.db2.gz VPYQDBUPKJUXQN-KBPBESRZSA-N 1 2 327.425 0.620 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@](C)(O)c2ccccc2)CC1 ZINC000817527695 587342899 /nfs/dbraw/zinc/34/28/99/587342899.db2.gz ALWDQZMTFOGIOS-IBGZPJMESA-N 1 2 343.427 0.178 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@](C)(O)c2ccccc2)CC1 ZINC000817527695 587342901 /nfs/dbraw/zinc/34/29/01/587342901.db2.gz ALWDQZMTFOGIOS-IBGZPJMESA-N 1 2 343.427 0.178 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000819702208 587486112 /nfs/dbraw/zinc/48/61/12/587486112.db2.gz TZJSXIFVVREVAC-UHFFFAOYSA-N 1 2 325.376 0.056 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(-c3nn[nH]n3)ccc2C)CC1 ZINC000819702180 587486155 /nfs/dbraw/zinc/48/61/55/587486155.db2.gz RWNYFKBEXRAEJF-UHFFFAOYSA-N 1 2 339.403 0.364 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)CC1 ZINC000823455281 587721592 /nfs/dbraw/zinc/72/15/92/587721592.db2.gz BORKCBHXDGLCKI-LSDHHAIUSA-N 1 2 336.436 0.132 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)CC1 ZINC000823455281 587721593 /nfs/dbraw/zinc/72/15/93/587721593.db2.gz BORKCBHXDGLCKI-LSDHHAIUSA-N 1 2 336.436 0.132 20 30 ECEDLO C=CCNC(=O)CNc1c(-c2nn[nH]n2)c[nH+]c2c(C)cc(F)cc12 ZINC000823919979 587844041 /nfs/dbraw/zinc/84/40/41/587844041.db2.gz VHVBHCZRXKLGMX-UHFFFAOYSA-N 1 2 341.350 0.998 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000825620153 587953627 /nfs/dbraw/zinc/95/36/27/587953627.db2.gz XQDCPMIFPFIVIL-UHFFFAOYSA-N 1 2 329.400 0.594 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000825620153 587953628 /nfs/dbraw/zinc/95/36/28/587953628.db2.gz XQDCPMIFPFIVIL-UHFFFAOYSA-N 1 2 329.400 0.594 20 30 ECEDLO C#CCCN(CCOC)C(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000826674808 588077033 /nfs/dbraw/zinc/07/70/33/588077033.db2.gz YLNODUQDPHYTQA-UHFFFAOYSA-N 1 2 328.372 0.449 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](CCCc2cc(CC)no2)CC1 ZINC000828524781 588187303 /nfs/dbraw/zinc/18/73/03/588187303.db2.gz PPZYYLFGBRPZEQ-UHFFFAOYSA-N 1 2 340.449 0.255 20 30 ECEDLO CCOC(=O)N1CCC(NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000829975049 588351296 /nfs/dbraw/zinc/35/12/96/588351296.db2.gz NQLCZBFSDJDJIO-MRXNPFEDSA-N 1 2 338.408 0.074 20 30 ECEDLO CCOC(=O)N1CCC(NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000829975049 588351298 /nfs/dbraw/zinc/35/12/98/588351298.db2.gz NQLCZBFSDJDJIO-MRXNPFEDSA-N 1 2 338.408 0.074 20 30 ECEDLO C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2noc(CCC(=O)[O-])n2)cc1 ZINC000830620208 588378999 /nfs/dbraw/zinc/37/89/99/588378999.db2.gz RAQZZSGJRJLMPI-UHFFFAOYSA-N 1 2 347.375 0.986 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000847488748 589251388 /nfs/dbraw/zinc/25/13/88/589251388.db2.gz DLWCDTUZSAIHOC-UHFFFAOYSA-N 1 2 341.820 0.378 20 30 ECEDLO C#CC[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000848636218 589304927 /nfs/dbraw/zinc/30/49/27/589304927.db2.gz KKNGPXZYRUSPJH-NCOADZHNSA-N 1 2 349.475 0.862 20 30 ECEDLO C#CC[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000848636218 589304928 /nfs/dbraw/zinc/30/49/28/589304928.db2.gz KKNGPXZYRUSPJH-NCOADZHNSA-N 1 2 349.475 0.862 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)C[C@@H](OC)[C@H]2CCOC2)CC1 ZINC000849371838 589327233 /nfs/dbraw/zinc/32/72/33/589327233.db2.gz ALYYFVSYJCMOBM-LSDHHAIUSA-N 1 2 330.450 0.009 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@H](C)O[C@](C)(C(F)F)C2)CC1 ZINC000852779468 589511862 /nfs/dbraw/zinc/51/18/62/589511862.db2.gz GKHTYFARJGZYIB-BBRMVZONSA-N 1 2 329.391 0.508 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCc2nnc(-c3cnn(C)c3)cc2C1 ZINC000854127747 589572246 /nfs/dbraw/zinc/57/22/46/589572246.db2.gz KGLGDTOUSCEVBX-LBPRGKRZSA-N 1 2 326.404 0.926 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCc2nnc(-c3cnn(C)c3)cc2C1 ZINC000854127747 589572248 /nfs/dbraw/zinc/57/22/48/589572248.db2.gz KGLGDTOUSCEVBX-LBPRGKRZSA-N 1 2 326.404 0.926 20 30 ECEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000855496695 589633939 /nfs/dbraw/zinc/63/39/39/589633939.db2.gz XXBDOCFURDDLPB-OAHLLOKOSA-N 1 2 334.420 0.826 20 30 ECEDLO CCOC(=O)CON=C(C(=O)N[C@H]1CCn2c[nH+]cc21)c1cc[nH]n1 ZINC000857982185 589720748 /nfs/dbraw/zinc/72/07/48/589720748.db2.gz NMDLFXIFVAPKNQ-JTQLQIEISA-N 1 2 346.347 0.151 20 30 ECEDLO C#CC[C@H](COC)NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000858128520 589725439 /nfs/dbraw/zinc/72/54/39/589725439.db2.gz QTXNTURKYOEPFA-OAHLLOKOSA-N 1 2 332.404 0.756 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2ccnc(N3CCOCC3)n2)CC1 ZINC000859003099 589792013 /nfs/dbraw/zinc/79/20/13/589792013.db2.gz DZGCSGNOLRORFB-UHFFFAOYSA-N 1 2 329.404 0.094 20 30 ECEDLO C#CC[C@H](COC)NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000859028491 589794172 /nfs/dbraw/zinc/79/41/72/589794172.db2.gz UDOITPCKFYRXTO-OAHLLOKOSA-N 1 2 332.404 0.756 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1cccc2n[nH]cc21 ZINC000863067324 589989431 /nfs/dbraw/zinc/98/94/31/589989431.db2.gz SFODEGVXSVDPSS-UHFFFAOYSA-N 1 2 332.433 0.693 20 30 ECEDLO N#CCc1cccc(C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000870070676 589997006 /nfs/dbraw/zinc/99/70/06/589997006.db2.gz ZKOFLVCXPGFXGB-KRWDZBQOSA-N 1 2 329.400 0.926 20 30 ECEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000863341935 590007048 /nfs/dbraw/zinc/00/70/48/590007048.db2.gz XLDPVIVXKOKKQB-CYBMUJFWSA-N 1 2 338.433 0.247 20 30 ECEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000863341935 590007051 /nfs/dbraw/zinc/00/70/51/590007051.db2.gz XLDPVIVXKOKKQB-CYBMUJFWSA-N 1 2 338.433 0.247 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2cc3c(c(C)c2)C(=O)CO3)CC1 ZINC000871802416 590087835 /nfs/dbraw/zinc/08/78/35/590087835.db2.gz FRJXDESIEQYQPJ-UHFFFAOYSA-N 1 2 328.368 0.726 20 30 ECEDLO N#C[C@]1(C(=O)NCc2ccc[nH+]c2N2CCOCC2)CCCOC1 ZINC000864772734 590102386 /nfs/dbraw/zinc/10/23/86/590102386.db2.gz LHTFUXSNFYBWHE-QGZVFWFLSA-N 1 2 330.388 0.855 20 30 ECEDLO Cc1cccc(C#N)c1S(=O)(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000872498539 590121663 /nfs/dbraw/zinc/12/16/63/590121663.db2.gz XGFBHFLJAKJHFC-KBPBESRZSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cccc(C#N)c1S(=O)(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000872498539 590121665 /nfs/dbraw/zinc/12/16/65/590121665.db2.gz XGFBHFLJAKJHFC-KBPBESRZSA-N 1 2 337.445 0.942 20 30 ECEDLO C#Cc1ccc(CNC(=O)C(=O)Nc2cc3n(n2)CC[N@@H+](C)C3)cc1 ZINC000873898895 590209569 /nfs/dbraw/zinc/20/95/69/590209569.db2.gz JWVFZHHDQIZVFW-UHFFFAOYSA-N 1 2 337.383 0.565 20 30 ECEDLO C#Cc1ccc(CNC(=O)C(=O)Nc2cc3n(n2)CC[N@H+](C)C3)cc1 ZINC000873898895 590209571 /nfs/dbraw/zinc/20/95/71/590209571.db2.gz JWVFZHHDQIZVFW-UHFFFAOYSA-N 1 2 337.383 0.565 20 30 ECEDLO C#CC[C@H]1CCCN(C(=O)C(=O)Nc2cc3n(n2)CC[N@@H+](C)C3)C1 ZINC000873928216 590211766 /nfs/dbraw/zinc/21/17/66/590211766.db2.gz QEKZYKGEXAJAMQ-ZDUSSCGKSA-N 1 2 329.404 0.529 20 30 ECEDLO C#CC[C@H]1CCCN(C(=O)C(=O)Nc2cc3n(n2)CC[N@H+](C)C3)C1 ZINC000873928216 590211768 /nfs/dbraw/zinc/21/17/68/590211768.db2.gz QEKZYKGEXAJAMQ-ZDUSSCGKSA-N 1 2 329.404 0.529 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000875026292 590263546 /nfs/dbraw/zinc/26/35/46/590263546.db2.gz NUZVSZQUQJSFRL-HNNXBMFYSA-N 1 2 344.415 0.453 20 30 ECEDLO C#CCCCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000875239295 590285924 /nfs/dbraw/zinc/28/59/24/590285924.db2.gz BWLCRNBKQKQKLB-INIZCTEOSA-N 1 2 343.427 0.915 20 30 ECEDLO C#CCCCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000875239295 590285926 /nfs/dbraw/zinc/28/59/26/590285926.db2.gz BWLCRNBKQKQKLB-INIZCTEOSA-N 1 2 343.427 0.915 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879763726 590342509 /nfs/dbraw/zinc/34/25/09/590342509.db2.gz PTXIKGQNVMOYTK-GWCFXTLKSA-N 1 2 334.342 0.890 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879763726 590342511 /nfs/dbraw/zinc/34/25/11/590342511.db2.gz PTXIKGQNVMOYTK-GWCFXTLKSA-N 1 2 334.342 0.890 20 30 ECEDLO C[C@@]1(NC(=O)C(F)(F)F)CC[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000879767411 590344042 /nfs/dbraw/zinc/34/40/42/590344042.db2.gz YGTMWYLWIZCWQN-GFCCVEGCSA-N 1 2 332.326 0.692 20 30 ECEDLO C[C@@]1(NC(=O)C(F)(F)F)CC[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000879767411 590344044 /nfs/dbraw/zinc/34/40/44/590344044.db2.gz YGTMWYLWIZCWQN-GFCCVEGCSA-N 1 2 332.326 0.692 20 30 ECEDLO C#CC[N@@H+](Cc1cccn(C(F)F)c1=O)[C@H]1CCS(=O)(=O)C1 ZINC000876625600 590392931 /nfs/dbraw/zinc/39/29/31/590392931.db2.gz ZKFKKIDTPZGSAV-LBPRGKRZSA-N 1 2 330.356 0.866 20 30 ECEDLO C#CC[N@H+](Cc1cccn(C(F)F)c1=O)[C@H]1CCS(=O)(=O)C1 ZINC000876625600 590392934 /nfs/dbraw/zinc/39/29/34/590392934.db2.gz ZKFKKIDTPZGSAV-LBPRGKRZSA-N 1 2 330.356 0.866 20 30 ECEDLO C#CCC1(O)CC[NH+](Cc2ccc(S(=O)(=O)N(C)C)o2)CC1 ZINC000880479135 590394961 /nfs/dbraw/zinc/39/49/61/590394961.db2.gz KMUAHZDINYVIBY-UHFFFAOYSA-N 1 2 326.418 0.880 20 30 ECEDLO COC(=O)Cn1cc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)nn1 ZINC000877744914 590480952 /nfs/dbraw/zinc/48/09/52/590480952.db2.gz ASXNWURPXMCXPB-UHFFFAOYSA-N 1 2 340.387 0.645 20 30 ECEDLO C=C(C)C[C@@H](CO)NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000883183074 590608589 /nfs/dbraw/zinc/60/85/89/590608589.db2.gz RBLJUZPGIDTRFE-HOCLYGCPSA-N 1 2 343.493 0.821 20 30 ECEDLO COc1ccc(C[NH+]2CCN(CC(=O)NCCC#N)CC2)cc1F ZINC000027363861 590612323 /nfs/dbraw/zinc/61/23/23/590612323.db2.gz APQJCMADMDOKPM-UHFFFAOYSA-N 1 2 334.395 0.982 20 30 ECEDLO COc1ccc(CN2CC[NH+](CC(=O)NCCC#N)CC2)cc1F ZINC000027363861 590612325 /nfs/dbraw/zinc/61/23/25/590612325.db2.gz APQJCMADMDOKPM-UHFFFAOYSA-N 1 2 334.395 0.982 20 30 ECEDLO N#CCCNC(=O)CN1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000027374736 590612337 /nfs/dbraw/zinc/61/23/37/590612337.db2.gz HZHRMDWRDYFQLR-UHFFFAOYSA-N 1 2 335.452 0.036 20 30 ECEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000885320283 590716218 /nfs/dbraw/zinc/71/62/18/590716218.db2.gz JNTMDQLVXCPLQA-NFAWXSAZSA-N 1 2 325.434 0.258 20 30 ECEDLO CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000885320283 590716221 /nfs/dbraw/zinc/71/62/21/590716221.db2.gz JNTMDQLVXCPLQA-NFAWXSAZSA-N 1 2 325.434 0.258 20 30 ECEDLO C[C@H]1C[N@H+](CCOC(=O)CCNC(=O)C2N=CC=CC2=O)CCO1 ZINC000800172795 590723770 /nfs/dbraw/zinc/72/37/70/590723770.db2.gz CENPBSIKDXPUCL-SUQMRRJOSA-N 1 2 337.376 0.167 20 30 ECEDLO C[C@H]1C[N@@H+](CCOC(=O)CCNC(=O)C2N=CC=CC2=O)CCO1 ZINC000800172795 590723772 /nfs/dbraw/zinc/72/37/72/590723772.db2.gz CENPBSIKDXPUCL-SUQMRRJOSA-N 1 2 337.376 0.167 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc3c(c2)ncn3C)C1 ZINC000885511089 590728582 /nfs/dbraw/zinc/72/85/82/590728582.db2.gz BUDBAMUYLYOPCG-ZDUSSCGKSA-N 1 2 332.429 0.949 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc3c(c2)ncn3C)C1 ZINC000885511089 590728585 /nfs/dbraw/zinc/72/85/85/590728585.db2.gz BUDBAMUYLYOPCG-ZDUSSCGKSA-N 1 2 332.429 0.949 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2occc2C(=O)OC)C1 ZINC000885508440 590729284 /nfs/dbraw/zinc/72/92/84/590729284.db2.gz HCXLMSVIJAEWFX-NSHDSACASA-N 1 2 326.374 0.442 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2occc2C(=O)OC)C1 ZINC000885508440 590729287 /nfs/dbraw/zinc/72/92/87/590729287.db2.gz HCXLMSVIJAEWFX-NSHDSACASA-N 1 2 326.374 0.442 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000884144166 590753964 /nfs/dbraw/zinc/75/39/64/590753964.db2.gz CQILHGFGMIIRRS-LBPRGKRZSA-N 1 2 325.409 0.291 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1ccc(C(=O)OC)cc1 ZINC000884307368 590800513 /nfs/dbraw/zinc/80/05/13/590800513.db2.gz HRFFGFOAPQYGPM-AWEZNQCLSA-N 1 2 334.372 0.878 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@](C(=O)OCC)(C(C)C)C1 ZINC000884334352 590808533 /nfs/dbraw/zinc/80/85/33/590808533.db2.gz NIBMHWYDWSTMTI-SUMWQHHRSA-N 1 2 340.420 0.871 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)NCC2(S(C)(=O)=O)CCCC2)C1 ZINC000884344665 590810504 /nfs/dbraw/zinc/81/05/04/590810504.db2.gz MNIKQDOTUMSMKP-CQSZACIVSA-N 1 2 341.477 0.741 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC2(S(C)(=O)=O)CCCC2)C1 ZINC000884344665 590810510 /nfs/dbraw/zinc/81/05/10/590810510.db2.gz MNIKQDOTUMSMKP-CQSZACIVSA-N 1 2 341.477 0.741 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000884398161 590819194 /nfs/dbraw/zinc/81/91/94/590819194.db2.gz XFMHSUGCXNBVTL-CJNGLKHVSA-N 1 2 347.415 0.837 20 30 ECEDLO C=CCC1(O)CC[NH+]([C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000886755970 590880473 /nfs/dbraw/zinc/88/04/73/590880473.db2.gz YHJYLMAHWMTPCC-KGLIPLIRSA-N 1 2 344.477 0.423 20 30 ECEDLO C#CCC1(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCC1 ZINC000886790249 590883266 /nfs/dbraw/zinc/88/32/66/590883266.db2.gz XNUPMHJQYFSTIP-OAHLLOKOSA-N 1 2 333.432 0.229 20 30 ECEDLO C=CCCO[C@H](C)C(=O)N1CCN(c2nc(N)[nH+]c(C3CC3)n2)CC1 ZINC000887620587 590982407 /nfs/dbraw/zinc/98/24/07/590982407.db2.gz JASDKIMCIYTIGP-GFCCVEGCSA-N 1 2 346.435 0.961 20 30 ECEDLO C=CCCO[C@H](C)C(=O)N1CCN(c2nc(N)nc(C3CC3)[nH+]2)CC1 ZINC000887620587 590982408 /nfs/dbraw/zinc/98/24/08/590982408.db2.gz JASDKIMCIYTIGP-GFCCVEGCSA-N 1 2 346.435 0.961 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCn2nc(C(=O)OC)cc21 ZINC000889853596 591106220 /nfs/dbraw/zinc/10/62/20/591106220.db2.gz SGGBIIODLISULU-JSGCOSHPSA-N 1 2 330.388 0.718 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCn2nc(C(=O)OC)cc21 ZINC000889853596 591106224 /nfs/dbraw/zinc/10/62/24/591106224.db2.gz SGGBIIODLISULU-JSGCOSHPSA-N 1 2 330.388 0.718 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC000948469848 611611872 /nfs/dbraw/zinc/61/18/72/611611872.db2.gz VOIPNYUTPGOYCS-CVEARBPZSA-N 1 2 346.431 0.661 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cnon3)[C@@H](C)C2)nn1 ZINC000947791421 608737100 /nfs/dbraw/zinc/73/71/00/608737100.db2.gz BZSZNBHQXYTEDX-NWDGAFQWSA-N 1 2 331.380 0.630 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnon3)[C@@H](C)C2)nn1 ZINC000947791421 608737101 /nfs/dbraw/zinc/73/71/01/608737101.db2.gz BZSZNBHQXYTEDX-NWDGAFQWSA-N 1 2 331.380 0.630 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1cnn(C)n1 ZINC000947217542 608964229 /nfs/dbraw/zinc/96/42/29/608964229.db2.gz OCVHJSSDFOQUKL-RYUDHWBXSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1cnn(C)n1 ZINC000947217542 608964233 /nfs/dbraw/zinc/96/42/33/608964233.db2.gz OCVHJSSDFOQUKL-RYUDHWBXSA-N 1 2 327.392 0.798 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3nonc3C)[C@@H](C)C2)nn1 ZINC000947793161 611692949 /nfs/dbraw/zinc/69/29/49/611692949.db2.gz ZQZCKARRBZALGF-AAEUAGOBSA-N 1 2 345.407 0.938 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3nonc3C)[C@@H](C)C2)nn1 ZINC000947793161 611692950 /nfs/dbraw/zinc/69/29/50/611692950.db2.gz ZQZCKARRBZALGF-AAEUAGOBSA-N 1 2 345.407 0.938 20 30 ECEDLO C#CC[C@H](CO)NC(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000923919410 609470629 /nfs/dbraw/zinc/47/06/29/609470629.db2.gz PYJSPJCFNHSLAI-MSOLQXFVSA-N 1 2 345.443 0.879 20 30 ECEDLO C#CC[C@H](CO)NC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000923919410 609470631 /nfs/dbraw/zinc/47/06/31/609470631.db2.gz PYJSPJCFNHSLAI-MSOLQXFVSA-N 1 2 345.443 0.879 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C)[nH]n2)C1 ZINC000938171769 609484469 /nfs/dbraw/zinc/48/44/69/609484469.db2.gz KNRHKBSANGWXPM-ZFWWWQNUSA-N 1 2 329.404 0.146 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(C)[nH]n2)C1 ZINC000938171769 609484472 /nfs/dbraw/zinc/48/44/72/609484472.db2.gz KNRHKBSANGWXPM-ZFWWWQNUSA-N 1 2 329.404 0.146 20 30 ECEDLO Cn1cc([C@H]2CN(C(=O)C#Cc3ccc4c(c3)OCO4)CC[NH2+]2)cn1 ZINC000913467080 609677282 /nfs/dbraw/zinc/67/72/82/609677282.db2.gz JKWKBTUIPFSSDD-OAHLLOKOSA-N 1 2 338.367 0.673 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000938318352 609732097 /nfs/dbraw/zinc/73/20/97/609732097.db2.gz KLQCRQKOYVMPRL-QRTARXTBSA-N 1 2 346.431 0.661 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000938388676 609770062 /nfs/dbraw/zinc/77/00/62/609770062.db2.gz ICAKWKIENJCRIG-ZQIUZPCESA-N 1 2 346.431 0.959 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000938713656 609959376 /nfs/dbraw/zinc/95/93/76/609959376.db2.gz GQWOZJNSVHPZDF-KBPBESRZSA-N 1 2 326.400 0.960 20 30 ECEDLO N#Cc1ccc([C@H](O)C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)cc1 ZINC000912897022 610018414 /nfs/dbraw/zinc/01/84/14/610018414.db2.gz QOHHIRKROOGDSR-HNNXBMFYSA-N 1 2 331.372 0.157 20 30 ECEDLO N#Cc1ccc([C@H](O)C(=O)NCC[N@H+]2CCC3(C2)OCCO3)cc1 ZINC000912897022 610018417 /nfs/dbraw/zinc/01/84/17/610018417.db2.gz QOHHIRKROOGDSR-HNNXBMFYSA-N 1 2 331.372 0.157 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000938904977 610026648 /nfs/dbraw/zinc/02/66/48/610026648.db2.gz AHXJXXUJDKVZNC-CYBMUJFWSA-N 1 2 340.387 0.535 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000939304253 610155498 /nfs/dbraw/zinc/15/54/98/610155498.db2.gz UIZAFXBOUPQHSW-ZNMIVQPWSA-N 1 2 346.431 0.993 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000939304501 610156064 /nfs/dbraw/zinc/15/60/64/610156064.db2.gz XCOGQAMDPDKIOB-KEYYUXOJSA-N 1 2 346.431 0.993 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)COc3cc(C)on3)CC2)C1 ZINC000941444170 610309121 /nfs/dbraw/zinc/30/91/21/610309121.db2.gz IADZLCWGBRIPPW-UHFFFAOYSA-N 1 2 332.404 0.214 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C[C@H]3CCOC[C@H]3OC)CC2)C1 ZINC000941432753 610312734 /nfs/dbraw/zinc/31/27/34/610312734.db2.gz FRJZZTNGVKPQOM-SJLPKXTDSA-N 1 2 349.475 0.280 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CCCN(C(=O)Cc3c[nH+]c[nH]3)CC2)c1 ZINC000940651725 610324187 /nfs/dbraw/zinc/32/41/87/610324187.db2.gz KKNHUYHSHZVTQI-UHFFFAOYSA-N 1 2 326.360 0.527 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3cnccc3OC)CC2)C1 ZINC000941451161 610325718 /nfs/dbraw/zinc/32/57/18/610325718.db2.gz JCUNWRJGFVQOCA-UHFFFAOYSA-N 1 2 342.443 0.484 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C(=O)Nc3ccccc3)CC2)C1 ZINC000941471522 610330057 /nfs/dbraw/zinc/33/00/57/610330057.db2.gz CXZGXSQFQYYLTI-UHFFFAOYSA-N 1 2 340.427 0.477 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3snnc3CC)CC2)C1 ZINC000941480229 610335157 /nfs/dbraw/zinc/33/51/57/610335157.db2.gz IYNSLJNTBGEYLT-UHFFFAOYSA-N 1 2 333.461 0.566 20 30 ECEDLO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000940705501 610338001 /nfs/dbraw/zinc/33/80/01/610338001.db2.gz TXDWMQXWEWSHQG-QMTHXVAHSA-N 1 2 326.360 0.429 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3conc3C(F)(F)F)CC2)C1 ZINC000941489255 610339851 /nfs/dbraw/zinc/33/98/51/610339851.db2.gz CNCHAJQWOVTVMV-UHFFFAOYSA-N 1 2 342.321 0.769 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCc3nccn3C)CC2)C1 ZINC000941499771 610344484 /nfs/dbraw/zinc/34/44/84/610344484.db2.gz CFGLXAAXUNXWME-UHFFFAOYSA-N 1 2 329.448 0.204 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CCN(C2C[NH+]([C@H]3CCCNC3=O)C2)CC1 ZINC000941512440 610351955 /nfs/dbraw/zinc/35/19/55/610351955.db2.gz HYXZGABGRXBUFS-INIZCTEOSA-N 1 2 348.491 0.696 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnn4cccnc34)CC2)C1 ZINC000941512436 610352104 /nfs/dbraw/zinc/35/21/04/610352104.db2.gz HQHVFEKWABYQFN-UHFFFAOYSA-N 1 2 338.415 0.195 20 30 ECEDLO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCS2(=O)=O)C(C)(C)C1 ZINC000940795244 610377464 /nfs/dbraw/zinc/37/74/64/610377464.db2.gz HKSFAXCUDFXLJR-KBPBESRZSA-N 1 2 326.462 0.804 20 30 ECEDLO C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCS2(=O)=O)C(C)(C)C1 ZINC000940795244 610377467 /nfs/dbraw/zinc/37/74/67/610377467.db2.gz HKSFAXCUDFXLJR-KBPBESRZSA-N 1 2 326.462 0.804 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC000942280202 610380320 /nfs/dbraw/zinc/38/03/20/610380320.db2.gz RKBNMSMMUGXZRL-GFCCVEGCSA-N 1 2 343.391 0.151 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3ccnc(OC)c3)CC2)C1 ZINC000941566309 610386371 /nfs/dbraw/zinc/38/63/71/610386371.db2.gz BAMRWNXIQHOKAY-UHFFFAOYSA-N 1 2 342.443 0.484 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnn(CCC)c3C)CC2)C1 ZINC000941615009 610410841 /nfs/dbraw/zinc/41/08/41/610410841.db2.gz MTPGRSPBPGGUDH-UHFFFAOYSA-N 1 2 329.448 0.677 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCN(C(=O)CC)C3)CC2)C1 ZINC000941632524 610418610 /nfs/dbraw/zinc/41/86/10/610418610.db2.gz IZMWTXOXQFJNOD-INIZCTEOSA-N 1 2 346.475 0.097 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3cnn(CC)c3)CC2)C1 ZINC000941634429 610419965 /nfs/dbraw/zinc/41/99/65/610419965.db2.gz GDQOPCWNNDCWKV-UHFFFAOYSA-N 1 2 329.448 0.297 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3ccc(OC)cc3)CC2)C1 ZINC000941650578 610440932 /nfs/dbraw/zinc/44/09/32/610440932.db2.gz FDCZJUJKQKHGQR-UHFFFAOYSA-N 1 2 327.428 0.699 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c(C)n(C)nc3Cl)CC2)C1 ZINC000941653116 610442816 /nfs/dbraw/zinc/44/28/16/610442816.db2.gz CHHCLGYZVRHQLE-UHFFFAOYSA-N 1 2 335.839 0.457 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)c3cnn(C)c3)CC2)C1 ZINC000941693788 610467366 /nfs/dbraw/zinc/46/73/66/610467366.db2.gz YAKSAAGNMGWNJP-HNNXBMFYSA-N 1 2 329.448 0.375 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3Cc4cccc(C)c4O3)CC2)C1 ZINC000941700921 610469611 /nfs/dbraw/zinc/46/96/11/610469611.db2.gz VZQGGKGKIFWPAK-SFHVURJKSA-N 1 2 339.439 0.760 20 30 ECEDLO O=C(C#CC1CC1)N1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000941004351 610488669 /nfs/dbraw/zinc/48/86/69/610488669.db2.gz ZCSPUGHOOHAIEQ-INIZCTEOSA-N 1 2 340.427 0.920 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC2CCC2)C[C@H]1OC ZINC000942513265 610492534 /nfs/dbraw/zinc/49/25/34/610492534.db2.gz JGFWAVCJIZEUSJ-IXDOHACOSA-N 1 2 347.459 0.616 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC2CCC2)C[C@H]1OC ZINC000942513265 610492536 /nfs/dbraw/zinc/49/25/36/610492536.db2.gz JGFWAVCJIZEUSJ-IXDOHACOSA-N 1 2 347.459 0.616 20 30 ECEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000942750570 610598804 /nfs/dbraw/zinc/59/88/04/610598804.db2.gz YHGMVIVRPKPEGY-OAHLLOKOSA-N 1 2 340.387 0.846 20 30 ECEDLO N#Cc1cc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c[nH]1 ZINC000941262746 610631034 /nfs/dbraw/zinc/63/10/34/610631034.db2.gz ZFBBFONUAZPOOM-MRVWCRGKSA-N 1 2 338.371 0.744 20 30 ECEDLO N#Cc1cc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c[nH]1 ZINC000941262746 610631037 /nfs/dbraw/zinc/63/10/37/610631037.db2.gz ZFBBFONUAZPOOM-MRVWCRGKSA-N 1 2 338.371 0.744 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCN(C2C[NH+](CCO[C@@H]3CC3(F)F)C2)CC1 ZINC000941348805 610685062 /nfs/dbraw/zinc/68/50/62/610685062.db2.gz QODQGVBQZGRMAH-TZMCWYRMSA-N 1 2 342.390 0.399 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CCCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC000943339995 610808807 /nfs/dbraw/zinc/80/88/07/610808807.db2.gz NEJQMBYRFQLNON-AWEZNQCLSA-N 1 2 340.387 0.894 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000943343461 610811990 /nfs/dbraw/zinc/81/19/90/610811990.db2.gz VFAXSPLCWGNJOU-OAGGEKHMSA-N 1 2 346.431 0.972 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)CCc1[nH]cc[nH+]1)CC2 ZINC000944923260 610832313 /nfs/dbraw/zinc/83/23/13/610832313.db2.gz QUNNBRZMMPBUKV-CYBMUJFWSA-N 1 2 329.404 0.953 20 30 ECEDLO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000945250230 610982000 /nfs/dbraw/zinc/98/20/00/610982000.db2.gz CPOGQDMFENRLDY-DGCLKSJQSA-N 1 2 340.387 0.819 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)CN(C)c2ncnc3[nH]cnc32)C1 ZINC000923582195 611269543 /nfs/dbraw/zinc/26/95/43/611269543.db2.gz GNISDQVDVWGPTQ-GFCCVEGCSA-N 1 2 327.392 0.003 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)CN(C)c2ncnc3[nH]cnc32)C1 ZINC000923582195 611269545 /nfs/dbraw/zinc/26/95/45/611269545.db2.gz GNISDQVDVWGPTQ-GFCCVEGCSA-N 1 2 327.392 0.003 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nncn3C)[C@@H](C)C2)nc1 ZINC000947948640 611752523 /nfs/dbraw/zinc/75/25/23/611752523.db2.gz OQMSLEREMDNYTL-ZFWWWQNUSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nncn3C)[C@@H](C)C2)nc1 ZINC000947948640 611752525 /nfs/dbraw/zinc/75/25/25/611752525.db2.gz OQMSLEREMDNYTL-ZFWWWQNUSA-N 1 2 338.415 0.974 20 30 ECEDLO CCn1cc(C[NH+]2CCC3(CC2)CN(C(=O)[C@H](C)C#N)CCO3)nn1 ZINC000949053707 611830499 /nfs/dbraw/zinc/83/04/99/611830499.db2.gz GRHBAKCPDRVKSM-CQSZACIVSA-N 1 2 346.435 0.651 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000949283061 611927485 /nfs/dbraw/zinc/92/74/85/611927485.db2.gz GADGOBHBHRNCAL-CQSZACIVSA-N 1 2 340.387 0.583 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CC1)C[N@@H+]([C@@H](C)C(=O)N(C)C)CCO2 ZINC000949320190 611937846 /nfs/dbraw/zinc/93/78/46/611937846.db2.gz HUFUKGBKFWJNDQ-KBPBESRZSA-N 1 2 336.436 0.316 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CC1)C[N@H+]([C@@H](C)C(=O)N(C)C)CCO2 ZINC000949320190 611937847 /nfs/dbraw/zinc/93/78/47/611937847.db2.gz HUFUKGBKFWJNDQ-KBPBESRZSA-N 1 2 336.436 0.316 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CC1)C[N@H+](Cc1cnn(C)c1)CCO2 ZINC000949320106 611937887 /nfs/dbraw/zinc/93/78/87/611937887.db2.gz FVJFBXDWSINCOI-AWEZNQCLSA-N 1 2 331.420 0.773 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CC1)C[N@@H+](Cc1cnn(C)c1)CCO2 ZINC000949320106 611937888 /nfs/dbraw/zinc/93/78/88/611937888.db2.gz FVJFBXDWSINCOI-AWEZNQCLSA-N 1 2 331.420 0.773 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cccn4nnnc34)CC2)C1 ZINC000949375675 611956411 /nfs/dbraw/zinc/95/64/11/611956411.db2.gz IEQABGJHGLIOFX-UHFFFAOYSA-N 1 2 340.387 0.065 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cccn4nnnc34)CC2)C1 ZINC000949375675 611956413 /nfs/dbraw/zinc/95/64/13/611956413.db2.gz IEQABGJHGLIOFX-UHFFFAOYSA-N 1 2 340.387 0.065 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccoc3CC(N)=O)CC2)C1 ZINC000949455240 611987483 /nfs/dbraw/zinc/98/74/83/611987483.db2.gz XWQTVJQOIIXQPC-UHFFFAOYSA-N 1 2 345.399 0.248 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccoc3CC(N)=O)CC2)C1 ZINC000949455240 611987485 /nfs/dbraw/zinc/98/74/85/611987485.db2.gz XWQTVJQOIIXQPC-UHFFFAOYSA-N 1 2 345.399 0.248 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CCN2C(=O)CCn2cc[nH+]c2)c[nH]1 ZINC000949485392 611999855 /nfs/dbraw/zinc/99/98/55/611999855.db2.gz FJGWLGJABGDBCP-AWEZNQCLSA-N 1 2 326.360 0.504 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)CCc3cnccn3)CC2)C1 ZINC000949506861 612013605 /nfs/dbraw/zinc/01/36/05/612013605.db2.gz QVXLSQROMNHJCZ-UHFFFAOYSA-N 1 2 328.416 0.736 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)CCc3cnccn3)CC2)C1 ZINC000949506861 612013606 /nfs/dbraw/zinc/01/36/06/612013606.db2.gz QVXLSQROMNHJCZ-UHFFFAOYSA-N 1 2 328.416 0.736 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000953168853 612190212 /nfs/dbraw/zinc/19/02/12/612190212.db2.gz UUQHZSCANDEJBW-GOSISDBHSA-N 1 2 326.400 0.748 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@]2(CCN(C(=O)[C@H](C)C#N)C2)C1 ZINC000953199313 612201201 /nfs/dbraw/zinc/20/12/01/612201201.db2.gz LRDITJHIGJGSFS-SJKOYZFVSA-N 1 2 329.404 0.871 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@]2(CCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC000953201857 612201919 /nfs/dbraw/zinc/20/19/19/612201919.db2.gz PAFQYBVYHUUZFS-KSSFIOAISA-N 1 2 343.431 0.963 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000951414607 612215558 /nfs/dbraw/zinc/21/55/58/612215558.db2.gz YMYGVUBCYOYNNG-ZDUSSCGKSA-N 1 2 340.387 0.583 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)nc1 ZINC000952149492 612248688 /nfs/dbraw/zinc/24/86/88/612248688.db2.gz QTJDBKUUAXNGDJ-AWEZNQCLSA-N 1 2 337.383 0.750 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC000953340658 612257872 /nfs/dbraw/zinc/25/78/72/612257872.db2.gz QIRNMLBZCMHYHH-JKSUJKDBSA-N 1 2 326.400 0.746 20 30 ECEDLO C[C@@]1(NC(=O)c2c[nH]c(C#N)c2)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000956841539 612614450 /nfs/dbraw/zinc/61/44/50/612614450.db2.gz LSAFAWIFLNEYMR-MRXNPFEDSA-N 1 2 326.360 0.573 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000955633185 612720773 /nfs/dbraw/zinc/72/07/73/612720773.db2.gz SKSKJJRATBFJBG-YPMHNXCESA-N 1 2 340.387 0.961 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000954392708 612889314 /nfs/dbraw/zinc/88/93/14/612889314.db2.gz XXXHYZHGFYTZHN-YOEHRIQHSA-N 1 2 346.431 0.911 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@H]([NH+]3CCN(C(=O)COC)CC3)C2)C1 ZINC000956577880 612916356 /nfs/dbraw/zinc/91/63/56/612916356.db2.gz JVJQDVWZFJFHHB-HNNXBMFYSA-N 1 2 335.448 0.734 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001078036223 782189647 /nfs/dbraw/zinc/18/96/47/782189647.db2.gz LWNQBLJHOSPOBD-GXTWGEPZSA-N 1 2 349.435 0.434 20 30 ECEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccnc1C#N ZINC001164699919 719839840 /nfs/dbraw/zinc/83/98/40/719839840.db2.gz IXRBHDIGBQBWJQ-SUMWQHHRSA-N 1 2 345.403 0.581 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC000971997100 735482021 /nfs/dbraw/zinc/48/20/21/735482021.db2.gz RPBASKYJGOMVOX-FZMZJTMJSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC000971997100 735482024 /nfs/dbraw/zinc/48/20/24/735482024.db2.gz RPBASKYJGOMVOX-FZMZJTMJSA-N 1 2 344.253 0.954 20 30 ECEDLO Cc1cc(C)c(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2O)c(C)[nH+]1 ZINC001025043537 738531881 /nfs/dbraw/zinc/53/18/81/738531881.db2.gz LEYKSHZHUDDQOW-LERXQTSPSA-N 1 2 330.388 0.468 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC(C)(C)CO2)[C@@H](n2ccnn2)C1 ZINC001069982526 790276336 /nfs/dbraw/zinc/27/63/36/790276336.db2.gz GUKNTWQQYUSVDN-XHSDSOJGSA-N 1 2 345.447 0.848 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC(C)(C)CO2)[C@@H](n2ccnn2)C1 ZINC001069982526 790276340 /nfs/dbraw/zinc/27/63/40/790276340.db2.gz GUKNTWQQYUSVDN-XHSDSOJGSA-N 1 2 345.447 0.848 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(CC)nc2C)C1 ZINC001208963483 732438951 /nfs/dbraw/zinc/43/89/51/732438951.db2.gz LYWRUIHEVKUOAV-IUODEOHRSA-N 1 2 331.420 0.011 20 30 ECEDLO C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(CC)nc2C)C1 ZINC001208963483 732438955 /nfs/dbraw/zinc/43/89/55/732438955.db2.gz LYWRUIHEVKUOAV-IUODEOHRSA-N 1 2 331.420 0.011 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC000970048487 732673302 /nfs/dbraw/zinc/67/33/02/732673302.db2.gz UDXRZMWEUCXVLE-SECBINFHSA-N 1 2 347.824 0.730 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](Cc2ocnc2C)C[C@H]1O ZINC001078082196 782274263 /nfs/dbraw/zinc/27/42/63/782274263.db2.gz HEXQYYCXYLFQOJ-IAGOWNOFSA-N 1 2 339.395 0.868 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@H]1O ZINC001078082196 782274270 /nfs/dbraw/zinc/27/42/70/782274270.db2.gz HEXQYYCXYLFQOJ-IAGOWNOFSA-N 1 2 339.395 0.868 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H](C)C2C[NH+](CC(=O)NC3CC3)C2)nn1 ZINC000970553543 733669408 /nfs/dbraw/zinc/66/94/08/733669408.db2.gz XSECUEMQICQYMH-LBPRGKRZSA-N 1 2 346.435 0.183 20 30 ECEDLO C=C1CCC(C(=O)N2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](O)C2)CC1 ZINC000970956414 734120853 /nfs/dbraw/zinc/12/08/53/734120853.db2.gz IMRICXQDMOYYLK-CABCVRRESA-N 1 2 332.404 0.387 20 30 ECEDLO C=CCOCC(=O)NC[C@H]1CN(c2nc(C)[nH+]c(C)c2C)CCO1 ZINC001104310095 734206939 /nfs/dbraw/zinc/20/69/39/734206939.db2.gz OFJMBYWVARLXNR-HNNXBMFYSA-N 1 2 334.420 0.926 20 30 ECEDLO N#Cc1cnccc1NCC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001067477055 734225231 /nfs/dbraw/zinc/22/52/31/734225231.db2.gz PYXZZFIHEYTREH-UHFFFAOYSA-N 1 2 340.387 0.037 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([N@H+](C)Cc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000971221248 734366694 /nfs/dbraw/zinc/36/66/94/734366694.db2.gz NSQOLROUURBKGR-QWRGUYRKSA-N 1 2 343.391 0.261 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([N@@H+](C)Cc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000971221248 734366697 /nfs/dbraw/zinc/36/66/97/734366697.db2.gz NSQOLROUURBKGR-QWRGUYRKSA-N 1 2 343.391 0.261 20 30 ECEDLO CC(C)(C(=O)N(CCO)CCNc1nccnc1C#N)c1c[nH+]c[nH]1 ZINC001111489258 734407626 /nfs/dbraw/zinc/40/76/26/734407626.db2.gz QFWNUTXRRWOZJU-UHFFFAOYSA-N 1 2 343.391 0.282 20 30 ECEDLO N#Cc1ccc(N2CCO[C@@H](CNC(=O)CCn3cc[nH+]c3)C2)cn1 ZINC001104338351 734436526 /nfs/dbraw/zinc/43/65/26/734436526.db2.gz SYZYFYOYHFAZSR-INIZCTEOSA-N 1 2 340.387 0.561 20 30 ECEDLO N#Cc1nccc(N2CCO[C@H](CNC(=O)CCc3c[nH]c[nH+]3)C2)n1 ZINC001104353232 734597916 /nfs/dbraw/zinc/59/79/16/734597916.db2.gz RUNFNXCEYLHPJG-CYBMUJFWSA-N 1 2 341.375 0.026 20 30 ECEDLO N#Cc1nccc(N2CCO[C@H](CNC(=O)CCc3c[nH+]c[nH]3)C2)n1 ZINC001104353232 734597919 /nfs/dbraw/zinc/59/79/19/734597919.db2.gz RUNFNXCEYLHPJG-CYBMUJFWSA-N 1 2 341.375 0.026 20 30 ECEDLO N#Cc1nccnc1N1CCO[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001104352729 734600212 /nfs/dbraw/zinc/60/02/12/734600212.db2.gz GJWOLYVAHYHOMK-ZDUSSCGKSA-N 1 2 341.375 0.026 20 30 ECEDLO N#Cc1nccnc1N1CCO[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001104352729 734600214 /nfs/dbraw/zinc/60/02/14/734600214.db2.gz GJWOLYVAHYHOMK-ZDUSSCGKSA-N 1 2 341.375 0.026 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC000972083624 735622304 /nfs/dbraw/zinc/62/23/04/735622304.db2.gz CZVQKGCPWKYRET-GDBMZVCRSA-N 1 2 326.400 0.435 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC4CC4)c3)[C@H]2C1 ZINC001083242784 735662831 /nfs/dbraw/zinc/66/28/31/735662831.db2.gz ZBOHOXIFUKDJQZ-DLBZAZTESA-N 1 2 328.416 0.842 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC4CC4)c3)[C@H]2C1 ZINC001083242784 735662834 /nfs/dbraw/zinc/66/28/34/735662834.db2.gz ZBOHOXIFUKDJQZ-DLBZAZTESA-N 1 2 328.416 0.842 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)C1 ZINC001078209368 782496646 /nfs/dbraw/zinc/49/66/46/782496646.db2.gz GLJLHKXUIGKSDT-JFIYKMOQSA-N 1 2 328.412 0.792 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)C1 ZINC001078209368 782496650 /nfs/dbraw/zinc/49/66/50/782496650.db2.gz GLJLHKXUIGKSDT-JFIYKMOQSA-N 1 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ZINC000972322016 735941637 /nfs/dbraw/zinc/94/16/37/735941637.db2.gz YGMLZIOKTPLRJJ-FZMZJTMJSA-N 1 2 344.253 0.954 20 30 ECEDLO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4nn[nH]c4C3)[C@H]2C1 ZINC001083247388 735989209 /nfs/dbraw/zinc/98/92/09/735989209.db2.gz NJEYLCNUMMZIOT-VBNZEHGJSA-N 1 2 331.420 0.397 20 30 ECEDLO C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4nn[nH]c4C3)[C@H]2C1 ZINC001083247388 735989212 /nfs/dbraw/zinc/98/92/12/735989212.db2.gz NJEYLCNUMMZIOT-VBNZEHGJSA-N 1 2 331.420 0.397 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)C2)C1 ZINC000972394696 736115972 /nfs/dbraw/zinc/11/59/72/736115972.db2.gz NZHFXRZEIPPKJD-CRAIPNDOSA-N 1 2 335.448 0.733 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)C2)C1 ZINC000972394696 736115974 /nfs/dbraw/zinc/11/59/74/736115974.db2.gz NZHFXRZEIPPKJD-CRAIPNDOSA-N 1 2 335.448 0.733 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCC4)C2)C1 ZINC000972406090 736138818 /nfs/dbraw/zinc/13/88/18/736138818.db2.gz 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C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc4[nH]c(=O)[nH]c4c3)C2)C1 ZINC000972443974 736210547 /nfs/dbraw/zinc/21/05/47/736210547.db2.gz NDLPCNUMOAQUBA-QGZVFWFLSA-N 1 2 343.387 0.766 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3n[nH]c4c3CCC4)C2)C1 ZINC000972447005 736218478 /nfs/dbraw/zinc/21/84/78/736218478.db2.gz OUDNPYUBSUKTLM-SFHVURJKSA-N 1 2 328.416 0.839 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3n[nH]c4c3CCC4)C2)C1 ZINC000972447005 736218482 /nfs/dbraw/zinc/21/84/82/736218482.db2.gz OUDNPYUBSUKTLM-SFHVURJKSA-N 1 2 328.416 0.839 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(CC)[nH]c(=O)c3)C2)C1 ZINC000972463487 736262960 /nfs/dbraw/zinc/26/29/60/736262960.db2.gz UWNOLOFEYVCTHK-SFHVURJKSA-N 1 2 329.400 0.900 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(CC)[nH]c(=O)c3)C2)C1 ZINC000972463487 736262962 /nfs/dbraw/zinc/26/29/62/736262962.db2.gz UWNOLOFEYVCTHK-SFHVURJKSA-N 1 2 329.400 0.900 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](OC)c3cnn(C)c3)C2)C1 ZINC000972481148 736310147 /nfs/dbraw/zinc/31/01/47/736310147.db2.gz YDUKOEFRRITFCZ-DOTOQJQBSA-N 1 2 334.420 0.597 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](OC)c3cnn(C)c3)C2)C1 ZINC000972481148 736310150 /nfs/dbraw/zinc/31/01/50/736310150.db2.gz YDUKOEFRRITFCZ-DOTOQJQBSA-N 1 2 334.420 0.597 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCC(=O)NC3)C2)C1 ZINC000972513521 736509440 /nfs/dbraw/zinc/50/94/40/736509440.db2.gz HSRGTSBPIPBLCH-ROUUACIJSA-N 1 2 333.432 0.229 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCC(=O)NC3)C2)C1 ZINC000972513521 736509443 /nfs/dbraw/zinc/50/94/43/736509443.db2.gz HSRGTSBPIPBLCH-ROUUACIJSA-N 1 2 333.432 0.229 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(c4cc(C)no4)CC3)C2)C1 ZINC000972517584 736535558 /nfs/dbraw/zinc/53/55/58/736535558.db2.gz DRFIPHITPVKYAJ-QGZVFWFLSA-N 1 2 329.400 0.951 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(c4cc(C)no4)CC3)C2)C1 ZINC000972517584 736535559 /nfs/dbraw/zinc/53/55/59/736535559.db2.gz DRFIPHITPVKYAJ-QGZVFWFLSA-N 1 2 329.400 0.951 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nnn(C)c4C3)C2)C1 ZINC000972517805 736537128 /nfs/dbraw/zinc/53/71/28/736537128.db2.gz HPVKSDOCZLRHTC-KBXCAEBGSA-N 1 2 345.447 0.409 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nnn(C)c4C3)C2)C1 ZINC000972517805 736537131 /nfs/dbraw/zinc/53/71/31/736537131.db2.gz HPVKSDOCZLRHTC-KBXCAEBGSA-N 1 2 345.447 0.409 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3ncccc3OC)C2)C1 ZINC000972519730 736543716 /nfs/dbraw/zinc/54/37/16/736543716.db2.gz YLYRDNKKRNHZLM-GOSISDBHSA-N 1 2 329.400 0.569 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3ncccc3OC)C2)C1 ZINC000972519730 736543720 /nfs/dbraw/zinc/54/37/20/736543720.db2.gz YLYRDNKKRNHZLM-GOSISDBHSA-N 1 2 329.400 0.569 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC000972544643 736657106 /nfs/dbraw/zinc/65/71/06/736657106.db2.gz NJFDMLTYCVICOP-JTQLQIEISA-N 1 2 328.214 0.870 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC000972544643 736657107 /nfs/dbraw/zinc/65/71/07/736657107.db2.gz NJFDMLTYCVICOP-JTQLQIEISA-N 1 2 328.214 0.870 20 30 ECEDLO Cn1nnnc1C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001023318016 736674263 /nfs/dbraw/zinc/67/42/63/736674263.db2.gz AHDYXHBLOXUYSL-LLVKDONJSA-N 1 2 328.380 0.052 20 30 ECEDLO Cn1nnnc1C[N@H+]1CCC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001023318016 736674267 /nfs/dbraw/zinc/67/42/67/736674267.db2.gz AHDYXHBLOXUYSL-LLVKDONJSA-N 1 2 328.380 0.052 20 30 ECEDLO Cn1ncc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001023319057 736679296 /nfs/dbraw/zinc/67/92/96/736679296.db2.gz SOJGAZCLZFDKEZ-GFCCVEGCSA-N 1 2 327.392 0.657 20 30 ECEDLO Cn1ncc(C[N@H+]2CCC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001023319057 736679301 /nfs/dbraw/zinc/67/93/01/736679301.db2.gz SOJGAZCLZFDKEZ-GFCCVEGCSA-N 1 2 327.392 0.657 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3ccnc(OC)c3)C2)C1 ZINC000972551548 736700053 /nfs/dbraw/zinc/70/00/53/736700053.db2.gz CHMQNXITVNTMDJ-GOSISDBHSA-N 1 2 329.400 0.569 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3ccnc(OC)c3)C2)C1 ZINC000972551548 736700056 /nfs/dbraw/zinc/70/00/56/736700056.db2.gz CHMQNXITVNTMDJ-GOSISDBHSA-N 1 2 329.400 0.569 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3nnnc3C(C)C)C2)C1 ZINC000972586388 736976789 /nfs/dbraw/zinc/97/67/89/736976789.db2.gz XKVJZCUGUCLJIE-MRXNPFEDSA-N 1 2 334.424 0.286 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3nnnc3C(C)C)C2)C1 ZINC000972586388 736976791 /nfs/dbraw/zinc/97/67/91/736976791.db2.gz XKVJZCUGUCLJIE-MRXNPFEDSA-N 1 2 334.424 0.286 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4nncn4c3)C2)C1 ZINC000972592406 737012767 /nfs/dbraw/zinc/01/27/67/737012767.db2.gz JJVYTMASRBYIGM-GOSISDBHSA-N 1 2 339.399 0.670 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4nncn4c3)C2)C1 ZINC000972592406 737012770 /nfs/dbraw/zinc/01/27/70/737012770.db2.gz JJVYTMASRBYIGM-GOSISDBHSA-N 1 2 339.399 0.670 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)N3CCOCC3)C2)C1 ZINC000972599760 737057622 /nfs/dbraw/zinc/05/76/22/737057622.db2.gz YYQGESFNKURJGY-IBGZPJMESA-N 1 2 349.475 0.424 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)N3CCOCC3)C2)C1 ZINC000972599760 737057628 /nfs/dbraw/zinc/05/76/28/737057628.db2.gz YYQGESFNKURJGY-IBGZPJMESA-N 1 2 349.475 0.424 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3ncccn3)C2)C1 ZINC000972605431 737078521 /nfs/dbraw/zinc/07/85/21/737078521.db2.gz NQWHNHQYXKTVHJ-SFHVURJKSA-N 1 2 328.416 0.736 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3ncccn3)C2)C1 ZINC000972605431 737078524 /nfs/dbraw/zinc/07/85/24/737078524.db2.gz NQWHNHQYXKTVHJ-SFHVURJKSA-N 1 2 328.416 0.736 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3nnc(C)[nH]3)C2)nn1 ZINC001023637030 737122945 /nfs/dbraw/zinc/12/29/45/737122945.db2.gz BIEAWKQNAXXEKS-CYBMUJFWSA-N 1 2 344.423 0.533 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3nnc(C)[nH]3)C2)nn1 ZINC001023637030 737122948 /nfs/dbraw/zinc/12/29/48/737122948.db2.gz BIEAWKQNAXXEKS-CYBMUJFWSA-N 1 2 344.423 0.533 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(C)CCN(C(C)=O)C3)C2)C1 ZINC000972628111 737150580 /nfs/dbraw/zinc/15/05/80/737150580.db2.gz NZTDKJKJGLBWLP-MOPGFXCFSA-N 1 2 347.459 0.572 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(C)CCN(C(C)=O)C3)C2)C1 ZINC000972628111 737150582 /nfs/dbraw/zinc/15/05/82/737150582.db2.gz NZTDKJKJGLBWLP-MOPGFXCFSA-N 1 2 347.459 0.572 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CCC[C@@H]3CC)C2)C1 ZINC000972628437 737153971 /nfs/dbraw/zinc/15/39/71/737153971.db2.gz RQZHOLRCAUTAFJ-QFBILLFUSA-N 1 2 347.459 0.714 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CCC[C@@H]3CC)C2)C1 ZINC000972628437 737153973 /nfs/dbraw/zinc/15/39/73/737153973.db2.gz RQZHOLRCAUTAFJ-QFBILLFUSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)C2)C1 ZINC000972684346 737374514 /nfs/dbraw/zinc/37/45/14/737374514.db2.gz RPKYNYJDYJVHPQ-RDTXWAMCSA-N 1 2 328.416 0.451 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)C2)C1 ZINC000972684346 737374518 /nfs/dbraw/zinc/37/45/18/737374518.db2.gz RPKYNYJDYJVHPQ-RDTXWAMCSA-N 1 2 328.416 0.451 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(=O)NC2CC2)nc1 ZINC001024764338 738275896 /nfs/dbraw/zinc/27/58/96/738275896.db2.gz PIEVTIVBEZVBOT-INIZCTEOSA-N 1 2 340.427 0.926 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=O)NC2CC2)nc1 ZINC001024764338 738275900 /nfs/dbraw/zinc/27/59/00/738275900.db2.gz PIEVTIVBEZVBOT-INIZCTEOSA-N 1 2 340.427 0.926 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cnnn2C)cn1 ZINC001024769540 738277520 /nfs/dbraw/zinc/27/75/20/738277520.db2.gz ITSFYTIUMKAPAC-INIZCTEOSA-N 1 2 338.415 0.976 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cnnn2C)cn1 ZINC001024769540 738277524 /nfs/dbraw/zinc/27/75/24/738277524.db2.gz ITSFYTIUMKAPAC-INIZCTEOSA-N 1 2 338.415 0.976 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001024777867 738285232 /nfs/dbraw/zinc/28/52/32/738285232.db2.gz KBHDAWHIDAKMKI-CKEIUWERSA-N 1 2 334.420 0.253 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C(C)(F)F)C2)nn1 ZINC001098592342 738386170 /nfs/dbraw/zinc/38/61/70/738386170.db2.gz UWLYHUDRZUFCMO-ZDUSSCGKSA-N 1 2 341.362 0.446 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000973325951 739098268 /nfs/dbraw/zinc/09/82/68/739098268.db2.gz PSCNDJYTAPWMRV-XOUADPBQSA-N 1 2 346.431 0.707 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2cnnn2CC)nn1 ZINC001028188176 751422750 /nfs/dbraw/zinc/42/27/50/751422750.db2.gz VUTIPXJCJRZDGJ-ZDUSSCGKSA-N 1 2 344.423 0.470 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cnnn2CC)nn1 ZINC001028188176 751422753 /nfs/dbraw/zinc/42/27/53/751422753.db2.gz VUTIPXJCJRZDGJ-ZDUSSCGKSA-N 1 2 344.423 0.470 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)[C@H](C)CNc1[nH+]cnc2c1cnn2C ZINC001104683398 739479746 /nfs/dbraw/zinc/47/97/46/739479746.db2.gz JBXHDCHSIYTWAE-NEPJUHHUSA-N 1 2 330.392 0.660 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2O)CC1 ZINC001025491411 739654873 /nfs/dbraw/zinc/65/48/73/739654873.db2.gz ZDIJSWGNCSOJLJ-HZPDHXFCSA-N 1 2 346.431 0.777 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2O)CC1 ZINC001025491411 739654878 /nfs/dbraw/zinc/65/48/78/739654878.db2.gz ZDIJSWGNCSOJLJ-HZPDHXFCSA-N 1 2 346.431 0.777 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000988098927 751531799 /nfs/dbraw/zinc/53/17/99/751531799.db2.gz LHPJAXLBFBMEQX-OAGGEKHMSA-N 1 2 346.431 0.781 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1C ZINC001104891895 740838517 /nfs/dbraw/zinc/83/85/17/740838517.db2.gz ZKJDMXQWUMTCDC-MGPQQGTHSA-N 1 2 348.451 0.112 20 30 ECEDLO C#CCOc1ccc(C(=O)N2CCC[N@@H+]([C@H](C)C(N)=O)CC2)cc1 ZINC000982111065 751604500 /nfs/dbraw/zinc/60/45/00/751604500.db2.gz MUNTYJPAURKQIA-CQSZACIVSA-N 1 2 329.400 0.720 20 30 ECEDLO C#CCOc1ccc(C(=O)N2CCC[N@H+]([C@H](C)C(N)=O)CC2)cc1 ZINC000982111065 751604506 /nfs/dbraw/zinc/60/45/06/751604506.db2.gz MUNTYJPAURKQIA-CQSZACIVSA-N 1 2 329.400 0.720 20 30 ECEDLO C#CCOc1ccc(C(=O)N2CCC[N@@H+]([C@@H]3CCNC3=O)CC2)cc1 ZINC000982111088 751605266 /nfs/dbraw/zinc/60/52/66/751605266.db2.gz NHHKPGQCWNEWLC-QGZVFWFLSA-N 1 2 341.411 0.735 20 30 ECEDLO C#CCOc1ccc(C(=O)N2CCC[N@H+]([C@@H]3CCNC3=O)CC2)cc1 ZINC000982111088 751605268 /nfs/dbraw/zinc/60/52/68/751605268.db2.gz NHHKPGQCWNEWLC-QGZVFWFLSA-N 1 2 341.411 0.735 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cncs3)C2)nn1 ZINC001105176418 741439309 /nfs/dbraw/zinc/43/93/09/741439309.db2.gz KFDJSDJPXSTYKA-UHFFFAOYSA-N 1 2 346.416 0.171 20 30 ECEDLO CC/C=C(/C)C(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105182006 741446536 /nfs/dbraw/zinc/44/65/36/741446536.db2.gz TXWGKOPCDNLPQC-AUWJEWJLSA-N 1 2 331.420 0.757 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)C3CC3)C2)nn1 ZINC001105202214 741465397 /nfs/dbraw/zinc/46/53/97/741465397.db2.gz GHXUQOTYOOXKPI-GFCCVEGCSA-N 1 2 346.435 0.099 20 30 ECEDLO CC(C)[C@@H](CNC(=O)CCc1c[nH+]cn1C)Nc1ccnc(C#N)n1 ZINC001105210347 741473707 /nfs/dbraw/zinc/47/37/07/741473707.db2.gz MMBABGMEWBBYPT-CQSZACIVSA-N 1 2 341.419 0.689 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)C3=CCCC3)C2)nn1 ZINC001105211219 741480564 /nfs/dbraw/zinc/48/05/64/741480564.db2.gz KPKRAIJIIIDJPQ-UHFFFAOYSA-N 1 2 329.404 0.511 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(C)nn3)C2)nn1 ZINC001105235771 741527964 /nfs/dbraw/zinc/52/79/64/741527964.db2.gz RUPSZARRMVOOGV-UHFFFAOYSA-N 1 2 325.376 0.187 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCc4cn[nH]c43)C2)nn1 ZINC001105240342 741531147 /nfs/dbraw/zinc/53/11/47/741531147.db2.gz IWRYUHMXRLGHJP-HNNXBMFYSA-N 1 2 339.403 0.227 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3onc(C)c3C)C2)nn1 ZINC001105266465 741604360 /nfs/dbraw/zinc/60/43/60/741604360.db2.gz XTEBFEHKPZCOSV-UHFFFAOYSA-N 1 2 328.376 0.693 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3nc(C)sc3C)C2)nn1 ZINC001105271039 741615682 /nfs/dbraw/zinc/61/56/82/741615682.db2.gz UXSFAQLKJDCRTR-UHFFFAOYSA-N 1 2 344.444 0.700 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)C3(CCF)CC3)C2)nn1 ZINC001105292316 741656263 /nfs/dbraw/zinc/65/62/63/741656263.db2.gz JLQNKMGASMGPBT-UHFFFAOYSA-N 1 2 349.410 0.541 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC3(C)C)C2)nn1 ZINC001105305687 741700276 /nfs/dbraw/zinc/70/02/76/741700276.db2.gz MFTIFFFIBXOQSW-INIZCTEOSA-N 1 2 345.447 0.837 20 30 ECEDLO CC#CCCCC(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105308056 741709426 /nfs/dbraw/zinc/70/94/26/741709426.db2.gz HNLFZEACMOQISQ-UHFFFAOYSA-N 1 2 343.431 0.594 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CC(n2cc(C[NH2+][C@@H](CC)C(N)=O)nn2)C1 ZINC001105309778 741718154 /nfs/dbraw/zinc/71/81/54/741718154.db2.gz BZNBYHSCQBNHMJ-DOMZBBRYSA-N 1 2 348.451 0.617 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000982155531 751663886 /nfs/dbraw/zinc/66/38/86/751663886.db2.gz CUBJMELLTAELJN-JJXSEGSLSA-N 1 2 346.431 0.875 20 30 ECEDLO Cn1nncc1C[N@@H+]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC000974471597 741777064 /nfs/dbraw/zinc/77/70/64/741777064.db2.gz IBFVVMMFWNRAFU-AWEZNQCLSA-N 1 2 327.392 0.655 20 30 ECEDLO Cn1nncc1C[N@H+]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC000974471597 741777067 /nfs/dbraw/zinc/77/70/67/741777067.db2.gz IBFVVMMFWNRAFU-AWEZNQCLSA-N 1 2 327.392 0.655 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccncc3Cl)C2)nn1 ZINC001105327136 741811897 /nfs/dbraw/zinc/81/18/97/741811897.db2.gz UDPVLCJLAKLRAF-UHFFFAOYSA-N 1 2 344.806 0.675 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001006687091 751674270 /nfs/dbraw/zinc/67/42/70/751674270.db2.gz WREOVVHUGFUQSL-OAHLLOKOSA-N 1 2 325.376 0.326 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001006687091 751674275 /nfs/dbraw/zinc/67/42/75/751674275.db2.gz WREOVVHUGFUQSL-OAHLLOKOSA-N 1 2 325.376 0.326 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C)nn3CC)C2)nn1 ZINC001105333362 741983823 /nfs/dbraw/zinc/98/38/23/741983823.db2.gz JPHSPQQBTADJRT-UHFFFAOYSA-N 1 2 341.419 0.613 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cn2ncn(C)c2=O)C(C)(C)C1 ZINC000974758567 742141971 /nfs/dbraw/zinc/14/19/71/742141971.db2.gz MVZMSZAIBSLNNS-NSHDSACASA-N 1 2 327.816 0.161 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cn2ncn(C)c2=O)C(C)(C)C1 ZINC000974758567 742141973 /nfs/dbraw/zinc/14/19/73/742141973.db2.gz MVZMSZAIBSLNNS-NSHDSACASA-N 1 2 327.816 0.161 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C(C)(C)C1 ZINC000974800011 742202946 /nfs/dbraw/zinc/20/29/46/742202946.db2.gz UGNFYKQFCCPJHB-OAHLLOKOSA-N 1 2 332.448 0.835 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C(C)(C)C1 ZINC000974800011 742202947 /nfs/dbraw/zinc/20/29/47/742202947.db2.gz UGNFYKQFCCPJHB-OAHLLOKOSA-N 1 2 332.448 0.835 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)c1 ZINC000975182891 742595777 /nfs/dbraw/zinc/59/57/77/742595777.db2.gz HTSFPTGVMCYCNO-CYBMUJFWSA-N 1 2 340.387 0.751 20 30 ECEDLO N#Cc1cncc(N2C[C@H]3CC[C@@H](C2)N3C(=O)CCc2[nH]cc[nH+]2)n1 ZINC001058752125 742817750 /nfs/dbraw/zinc/81/77/50/742817750.db2.gz KYVQGRRRJKGYTF-OKILXGFUSA-N 1 2 337.387 0.884 20 30 ECEDLO N#Cc1cc(C(=O)NCC[NH2+]Cc2nc(-c3ccncn3)no2)c[nH]1 ZINC001125994631 743121979 /nfs/dbraw/zinc/12/19/79/743121979.db2.gz HIBOXIKWTCRHMI-UHFFFAOYSA-N 1 2 338.331 0.246 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)cn1 ZINC000997102255 743238060 /nfs/dbraw/zinc/23/80/60/743238060.db2.gz ORLZOFWFDLLTIH-CYBMUJFWSA-N 1 2 337.383 0.851 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)CC2CCCC2)C1 ZINC001149129292 743253290 /nfs/dbraw/zinc/25/32/90/743253290.db2.gz GUNPDFKSSCCUNM-INIZCTEOSA-N 1 2 335.448 0.523 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)CC2CCCC2)C1 ZINC001149129292 743253296 /nfs/dbraw/zinc/25/32/96/743253296.db2.gz GUNPDFKSSCCUNM-INIZCTEOSA-N 1 2 335.448 0.523 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCCS2(=O)=O)CC1 ZINC000998187724 744038489 /nfs/dbraw/zinc/03/84/89/744038489.db2.gz FYPNICYDTBCGAI-HUUCEWRRSA-N 1 2 326.462 0.900 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCCS2(=O)=O)CC1 ZINC000998187724 744038493 /nfs/dbraw/zinc/03/84/93/744038493.db2.gz FYPNICYDTBCGAI-HUUCEWRRSA-N 1 2 326.462 0.900 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H](C)C2CN(C(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC001006831505 751885518 /nfs/dbraw/zinc/88/55/18/751885518.db2.gz GISQDKLISLBEMH-GFCCVEGCSA-N 1 2 337.383 0.605 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000976726811 744249656 /nfs/dbraw/zinc/24/96/56/744249656.db2.gz JNXPPBHQYAWJHH-KBEGMRNHSA-N 1 2 338.411 0.432 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CC[C@H]3CCCCO3)C2)nn1 ZINC001105339689 744591122 /nfs/dbraw/zinc/59/11/22/744591122.db2.gz WBSZWUJRZWNGIZ-MRXNPFEDSA-N 1 2 331.420 0.734 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001098697606 745233721 /nfs/dbraw/zinc/23/37/21/745233721.db2.gz JLKHKGUCOBFKIV-OCCSQVGLSA-N 1 2 348.451 0.617 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C(C)(C)C1 ZINC000977599603 745280660 /nfs/dbraw/zinc/28/06/60/745280660.db2.gz DAUAEADQVBSRFI-WDEREUQCSA-N 1 2 335.857 0.257 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C(C)(C)C1 ZINC000977599603 745280663 /nfs/dbraw/zinc/28/06/63/745280663.db2.gz DAUAEADQVBSRFI-WDEREUQCSA-N 1 2 335.857 0.257 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001029244466 745429189 /nfs/dbraw/zinc/42/91/89/745429189.db2.gz HUNTXOGRSAIONT-RFQIPJPRSA-N 1 2 325.434 0.256 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001029244466 745429192 /nfs/dbraw/zinc/42/91/92/745429192.db2.gz HUNTXOGRSAIONT-RFQIPJPRSA-N 1 2 325.434 0.256 20 30 ECEDLO Cc1cncc(C[N@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)c1 ZINC001083414611 745546736 /nfs/dbraw/zinc/54/67/36/745546736.db2.gz MJTJZIYVEGMVPL-CVEARBPZSA-N 1 2 325.372 0.565 20 30 ECEDLO Cc1cncc(C[N@@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)c1 ZINC001083414611 745546740 /nfs/dbraw/zinc/54/67/40/745546740.db2.gz MJTJZIYVEGMVPL-CVEARBPZSA-N 1 2 325.372 0.565 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCCF)C2)nn1 ZINC001098700690 745645933 /nfs/dbraw/zinc/64/59/33/745645933.db2.gz RNGOHZREGQEVGQ-HNNXBMFYSA-N 1 2 337.399 0.541 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2C(=O)Cc2[nH]cc[nH+]2)cn1 ZINC000978098320 745914681 /nfs/dbraw/zinc/91/46/81/745914681.db2.gz PINSZZPBUIDDAN-HNNXBMFYSA-N 1 2 337.383 0.702 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2C(=O)Cc2[nH]cc[nH+]2)cn1 ZINC000978098322 745914692 /nfs/dbraw/zinc/91/46/92/745914692.db2.gz PINSZZPBUIDDAN-OAHLLOKOSA-N 1 2 337.383 0.702 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](CCC)OCC)C2)nn1 ZINC001098703224 745960097 /nfs/dbraw/zinc/96/00/97/745960097.db2.gz LVYRIKIRQAGUKK-JKSUJKDBSA-N 1 2 333.436 0.980 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001059337402 746010360 /nfs/dbraw/zinc/01/03/60/746010360.db2.gz HNAKECUYMDAJTB-OAHLLOKOSA-N 1 2 348.447 0.910 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)nn1 ZINC001098703570 746016540 /nfs/dbraw/zinc/01/65/40/746016540.db2.gz VTBYQEPABPAXFB-WCVJEAGWSA-N 1 2 329.404 0.057 20 30 ECEDLO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001211945218 752068617 /nfs/dbraw/zinc/06/86/17/752068617.db2.gz YJTDBLBKVUTKNA-HZPDHXFCSA-N 1 2 345.399 0.210 20 30 ECEDLO COC(=O)NCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001211945218 752068621 /nfs/dbraw/zinc/06/86/21/752068621.db2.gz YJTDBLBKVUTKNA-HZPDHXFCSA-N 1 2 345.399 0.210 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3cccnn3)CC2)C1=O ZINC000982372421 752065831 /nfs/dbraw/zinc/06/58/31/752065831.db2.gz OAFIJYMZQNNDMV-OAHLLOKOSA-N 1 2 329.404 0.411 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3cccnn3)CC2)C1=O ZINC000982372421 752065836 /nfs/dbraw/zinc/06/58/36/752065836.db2.gz OAFIJYMZQNNDMV-OAHLLOKOSA-N 1 2 329.404 0.411 20 30 ECEDLO C#CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCCS(=O)(=O)C2)[C@H]1CC ZINC001087787851 746334179 /nfs/dbraw/zinc/33/41/79/746334179.db2.gz SSTHITQDSWXWLX-SOUVJXGZSA-N 1 2 326.462 0.804 20 30 ECEDLO C#CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCS(=O)(=O)C2)[C@H]1CC ZINC001087787851 746334183 /nfs/dbraw/zinc/33/41/83/746334183.db2.gz SSTHITQDSWXWLX-SOUVJXGZSA-N 1 2 326.462 0.804 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2CC)C1=O ZINC001087829586 746438752 /nfs/dbraw/zinc/43/87/52/746438752.db2.gz LZQXUMLIHXWVQG-GVDBMIGSSA-N 1 2 348.491 0.838 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nncn4C)C[C@H]32)cc1 ZINC000978579061 746458785 /nfs/dbraw/zinc/45/87/85/746458785.db2.gz DJGFBRYQQDLGFB-OSYLJGHBSA-N 1 2 335.411 0.904 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nncn4C)C[C@H]32)cc1 ZINC000978579061 746458792 /nfs/dbraw/zinc/45/87/92/746458792.db2.gz DJGFBRYQQDLGFB-OSYLJGHBSA-N 1 2 335.411 0.904 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC000978698358 746593441 /nfs/dbraw/zinc/59/34/41/746593441.db2.gz SLGAXQDQQWLPTD-BJHJDKERSA-N 1 2 326.360 0.408 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3CCF)CC[C@@H]2C1 ZINC001087911068 746645692 /nfs/dbraw/zinc/64/56/92/746645692.db2.gz JDOXRWMIGZCIKF-MCIONIFRSA-N 1 2 334.399 0.688 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3CCF)CC[C@@H]2C1 ZINC001087911068 746645695 /nfs/dbraw/zinc/64/56/95/746645695.db2.gz JDOXRWMIGZCIKF-MCIONIFRSA-N 1 2 334.399 0.688 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C)OC)[C@H](OC)C2)cc1C#N ZINC001211956604 752110443 /nfs/dbraw/zinc/11/04/43/752110443.db2.gz FDIIUVXUAAHTGD-SRCQZFHVSA-N 1 2 347.415 0.917 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C)OC)[C@H](OC)C2)cc1C#N ZINC001211956604 752110445 /nfs/dbraw/zinc/11/04/45/752110445.db2.gz FDIIUVXUAAHTGD-SRCQZFHVSA-N 1 2 347.415 0.917 20 30 ECEDLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029476383 746814706 /nfs/dbraw/zinc/81/47/06/746814706.db2.gz PNADIFTWBZBCKB-XDNAFOTISA-N 1 2 337.423 0.835 20 30 ECEDLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029476383 746814709 /nfs/dbraw/zinc/81/47/09/746814709.db2.gz PNADIFTWBZBCKB-XDNAFOTISA-N 1 2 337.423 0.835 20 30 ECEDLO N#Cc1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4ncn[nH]4)[C@@H]3C2)ccc1F ZINC000978877298 746844038 /nfs/dbraw/zinc/84/40/38/746844038.db2.gz IJPKZCWKIFUVKL-ZSOGYDGISA-N 1 2 340.362 0.923 20 30 ECEDLO N#Cc1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ncn[nH]4)[C@@H]3C2)ccc1F ZINC000978877298 746844046 /nfs/dbraw/zinc/84/40/46/746844046.db2.gz IJPKZCWKIFUVKL-ZSOGYDGISA-N 1 2 340.362 0.923 20 30 ECEDLO N#Cc1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4nc[nH]n4)[C@@H]3C2)ccc1F ZINC000978877298 746844053 /nfs/dbraw/zinc/84/40/53/746844053.db2.gz IJPKZCWKIFUVKL-ZSOGYDGISA-N 1 2 340.362 0.923 20 30 ECEDLO N#Cc1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4nc[nH]n4)[C@@H]3C2)ccc1F ZINC000978877298 746844060 /nfs/dbraw/zinc/84/40/60/746844060.db2.gz IJPKZCWKIFUVKL-ZSOGYDGISA-N 1 2 340.362 0.923 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCC1 ZINC001029480994 746896126 /nfs/dbraw/zinc/89/61/26/746896126.db2.gz UWPXNVYDJQNABL-QXSJWSMHSA-N 1 2 333.432 0.485 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CCC1 ZINC001029480994 746896130 /nfs/dbraw/zinc/89/61/30/746896130.db2.gz UWPXNVYDJQNABL-QXSJWSMHSA-N 1 2 333.432 0.485 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001007154209 752135267 /nfs/dbraw/zinc/13/52/67/752135267.db2.gz DVYHPDUQJVGNEO-ZWKOTPCHSA-N 1 2 342.443 0.969 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001007154209 752135269 /nfs/dbraw/zinc/13/52/69/752135269.db2.gz DVYHPDUQJVGNEO-ZWKOTPCHSA-N 1 2 342.443 0.969 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N[C@H]1C[C@H](Nc2ccnc(C#N)n2)C1 ZINC001059461730 747129054 /nfs/dbraw/zinc/12/90/54/747129054.db2.gz XRPZLVPVNJZAFI-JOCQHMNTSA-N 1 2 338.371 0.476 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ccnn3C)C2)nn1 ZINC001098629491 747582147 /nfs/dbraw/zinc/58/21/47/747582147.db2.gz KPZMQYLGMAIHDC-AWEZNQCLSA-N 1 2 327.392 0.212 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCO2)[C@@H](O)C1 ZINC001083326555 752198023 /nfs/dbraw/zinc/19/80/23/752198023.db2.gz HOZDHNLFMSLSAM-HLLBOEOZSA-N 1 2 345.399 0.407 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCO2)[C@@H](O)C1 ZINC001083326555 752198024 /nfs/dbraw/zinc/19/80/24/752198024.db2.gz HOZDHNLFMSLSAM-HLLBOEOZSA-N 1 2 345.399 0.407 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ocnc3CC)C2)nn1 ZINC001098722275 747663165 /nfs/dbraw/zinc/66/31/65/747663165.db2.gz MRTUWKKSPSYCGV-ZDUSSCGKSA-N 1 2 328.376 0.639 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001002847835 747873405 /nfs/dbraw/zinc/87/34/05/747873405.db2.gz FXNWQPBDJRCSNF-CVEARBPZSA-N 1 2 333.436 0.877 20 30 ECEDLO C#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001088240134 747942949 /nfs/dbraw/zinc/94/29/49/747942949.db2.gz PRDWEBZMAOGSJB-OAHLLOKOSA-N 1 2 331.420 0.310 20 30 ECEDLO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001088240134 747942952 /nfs/dbraw/zinc/94/29/52/747942952.db2.gz PRDWEBZMAOGSJB-OAHLLOKOSA-N 1 2 331.420 0.310 20 30 ECEDLO C=C(Br)C[NH+]1CCC(NC(=O)Cn2nccn2)CC1 ZINC001002916385 747956076 /nfs/dbraw/zinc/95/60/76/747956076.db2.gz DGGVDKPUAFUHDU-UHFFFAOYSA-N 1 2 328.214 0.767 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)c1 ZINC001007264704 752236931 /nfs/dbraw/zinc/23/69/31/752236931.db2.gz VTMYIHXEYQTURK-DZGCQCFKSA-N 1 2 346.362 0.886 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)c1 ZINC001007264704 752236935 /nfs/dbraw/zinc/23/69/35/752236935.db2.gz VTMYIHXEYQTURK-DZGCQCFKSA-N 1 2 346.362 0.886 20 30 ECEDLO Cc1nnc(C[N@H+](C)C[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)[nH]1 ZINC001029690999 748078846 /nfs/dbraw/zinc/07/88/46/748078846.db2.gz LPNGXNSEQDLKJA-GFCCVEGCSA-N 1 2 327.392 0.907 20 30 ECEDLO Cc1nnc(C[N@@H+](C)C[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)[nH]1 ZINC001029690999 748078851 /nfs/dbraw/zinc/07/88/51/748078851.db2.gz LPNGXNSEQDLKJA-GFCCVEGCSA-N 1 2 327.392 0.907 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001059554142 748301551 /nfs/dbraw/zinc/30/15/51/748301551.db2.gz CEMPUZFXOSBWQC-GUYCJALGSA-N 1 2 334.420 0.634 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001059561576 748429444 /nfs/dbraw/zinc/42/94/44/748429444.db2.gz YLJKMJOTJYROQB-CABCVRRESA-N 1 2 346.431 0.735 20 30 ECEDLO CC[C@@H](OC)C(=O)N1CC[C@@H](n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001098630658 748587749 /nfs/dbraw/zinc/58/77/49/748587749.db2.gz VMQWAOLIKMUKFL-HZPDHXFCSA-N 1 2 349.435 0.216 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3ncoc3C)CC2)CC1 ZINC000985825722 749182849 /nfs/dbraw/zinc/18/28/49/749182849.db2.gz NOMXFTAMHJQJHV-UHFFFAOYSA-N 1 2 347.419 0.664 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ccc(F)nc3)C2)nn1 ZINC001098632713 749465981 /nfs/dbraw/zinc/46/59/81/749465981.db2.gz DZYMLPKPZIRJKF-AWEZNQCLSA-N 1 2 328.351 0.622 20 30 ECEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCC[N@H+]1CCS(C)(=O)=O ZINC001027936310 749601285 /nfs/dbraw/zinc/60/12/85/749601285.db2.gz HUHKZXXAQOAOKL-AWEZNQCLSA-N 1 2 339.461 0.913 20 30 ECEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCC[N@@H+]1CCS(C)(=O)=O ZINC001027936310 749601288 /nfs/dbraw/zinc/60/12/88/749601288.db2.gz HUHKZXXAQOAOKL-AWEZNQCLSA-N 1 2 339.461 0.913 20 30 ECEDLO CN(CCN(C)c1nccnc1C#N)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001105432177 750056454 /nfs/dbraw/zinc/05/64/54/750056454.db2.gz HPJXCYSIJZJBCA-UHFFFAOYSA-N 1 2 327.392 0.944 20 30 ECEDLO C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001004992967 750113211 /nfs/dbraw/zinc/11/32/11/750113211.db2.gz RCCHQGATWFASLY-WFASDCNBSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001004993062 750113404 /nfs/dbraw/zinc/11/34/04/750113404.db2.gz RVYGGVYKMRXPQL-IUODEOHRSA-N 1 2 340.387 0.750 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001027976666 750132930 /nfs/dbraw/zinc/13/29/30/750132930.db2.gz FIWUPBRBGBZHGW-NSHDSACASA-N 1 2 347.824 0.874 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001027976666 750132936 /nfs/dbraw/zinc/13/29/36/750132936.db2.gz FIWUPBRBGBZHGW-NSHDSACASA-N 1 2 347.824 0.874 20 30 ECEDLO O=C([C@H]1CCC(=O)N1)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000980840353 750247670 /nfs/dbraw/zinc/24/76/70/750247670.db2.gz YNVZFHGUFUDUIT-QGZVFWFLSA-N 1 2 325.412 0.851 20 30 ECEDLO O=C([C@H]1CCC(=O)N1)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000980840353 750247671 /nfs/dbraw/zinc/24/76/71/750247671.db2.gz YNVZFHGUFUDUIT-QGZVFWFLSA-N 1 2 325.412 0.851 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCC3CC3)C2)nn1 ZINC001098639976 750458710 /nfs/dbraw/zinc/45/87/10/750458710.db2.gz CDANQCYVGBZAGK-KRWDZBQOSA-N 1 2 345.447 0.981 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC ZINC001098240165 750949583 /nfs/dbraw/zinc/94/95/83/750949583.db2.gz JHOHXBCTXLPCSH-YUELXQCFSA-N 1 2 342.399 0.175 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC ZINC001098240165 750949586 /nfs/dbraw/zinc/94/95/86/750949586.db2.gz JHOHXBCTXLPCSH-YUELXQCFSA-N 1 2 342.399 0.175 20 30 ECEDLO C#CCCCCC(=O)NC[C@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001105831117 762088488 /nfs/dbraw/zinc/08/84/88/762088488.db2.gz XGPUUUMRFUADAH-LBPRGKRZSA-N 1 2 330.392 0.446 20 30 ECEDLO C=CC[NH+]1CCC(N(C)C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001006146468 751069724 /nfs/dbraw/zinc/06/97/24/751069724.db2.gz HHOKYWCOBBNKGH-UHFFFAOYSA-N 1 2 330.392 0.180 20 30 ECEDLO N#CCSCC(=O)NCC[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001059820284 751077543 /nfs/dbraw/zinc/07/75/43/751077543.db2.gz UBNYQORCOMAPPJ-ZDUSSCGKSA-N 1 2 349.460 0.954 20 30 ECEDLO N#CCSCC(=O)NCC[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001059820284 751077550 /nfs/dbraw/zinc/07/75/50/751077550.db2.gz UBNYQORCOMAPPJ-ZDUSSCGKSA-N 1 2 349.460 0.954 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H](C)n3cccn3)C2)nn1 ZINC001105358047 751111064 /nfs/dbraw/zinc/11/10/64/751111064.db2.gz QWJYDKGMZUQYOE-AWEZNQCLSA-N 1 2 341.419 0.622 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)c2c[nH]c(=O)cn2)CC1 ZINC000981838359 751171550 /nfs/dbraw/zinc/17/15/50/751171550.db2.gz RIDWESIUBSJQNQ-UHFFFAOYSA-N 1 2 337.383 0.990 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2c[nH]c(=O)cn2)CC1 ZINC000981838359 751171554 /nfs/dbraw/zinc/17/15/54/751171554.db2.gz RIDWESIUBSJQNQ-UHFFFAOYSA-N 1 2 337.383 0.990 20 30 ECEDLO C#CC[NH+]1CCC(N(C)C(=O)c2cn[nH]c2-c2cnn(C)c2)CC1 ZINC001006275137 751191692 /nfs/dbraw/zinc/19/16/92/751191692.db2.gz SPMLZJAQCGVIBK-UHFFFAOYSA-N 1 2 326.404 0.980 20 30 ECEDLO C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CN(C(=O)C#CC2CC2)C1 ZINC001006311099 751228459 /nfs/dbraw/zinc/22/84/59/751228459.db2.gz JEGYAEGOHAEJFW-ZFWWWQNUSA-N 1 2 340.427 0.822 20 30 ECEDLO C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CN(C(=O)C#CC2CC2)C1 ZINC001006315008 751234836 /nfs/dbraw/zinc/23/48/36/751234836.db2.gz IFAGUZGZPQCWCY-ZFWWWQNUSA-N 1 2 340.427 0.822 20 30 ECEDLO CC#CC[N@@H+]1CCCC2(CN(C(=O)C[C@H]3CCCS3(=O)=O)C2)C1 ZINC000981914033 751272026 /nfs/dbraw/zinc/27/20/26/751272026.db2.gz DGXMLVFEXOIXAI-OAHLLOKOSA-N 1 2 338.473 0.901 20 30 ECEDLO CC#CC[N@H+]1CCCC2(CN(C(=O)C[C@H]3CCCS3(=O)=O)C2)C1 ZINC000981914033 751272029 /nfs/dbraw/zinc/27/20/29/751272029.db2.gz DGXMLVFEXOIXAI-OAHLLOKOSA-N 1 2 338.473 0.901 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC[N@@H+]([C@@H](C)C(=O)NC3CC3)CC2)c1 ZINC000981925838 751279905 /nfs/dbraw/zinc/27/99/05/751279905.db2.gz MLYUIRSDRDBVCK-AWEZNQCLSA-N 1 2 340.427 0.878 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC[N@H+]([C@@H](C)C(=O)NC3CC3)CC2)c1 ZINC000981925838 751279908 /nfs/dbraw/zinc/27/99/08/751279908.db2.gz MLYUIRSDRDBVCK-AWEZNQCLSA-N 1 2 340.427 0.878 20 30 ECEDLO COCc1noc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000988614106 752380809 /nfs/dbraw/zinc/38/08/09/752380809.db2.gz SRMQJNHLUWYDPN-ZWNOBZJWSA-N 1 2 344.375 0.809 20 30 ECEDLO CO[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212041236 752434111 /nfs/dbraw/zinc/43/41/11/752434111.db2.gz JIQVHIVAPJIBBE-YNEHKIRRSA-N 1 2 339.440 0.059 20 30 ECEDLO CO[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212041236 752434116 /nfs/dbraw/zinc/43/41/16/752434116.db2.gz JIQVHIVAPJIBBE-YNEHKIRRSA-N 1 2 339.440 0.059 20 30 ECEDLO CO[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212045227 752438710 /nfs/dbraw/zinc/43/87/10/752438710.db2.gz JXEADNHCIFFKAR-JGGQBBKZSA-N 1 2 345.399 0.933 20 30 ECEDLO CO[C@@H]1C[N@@H+](Cc2cccc3c2OCCO3)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212045227 752438712 /nfs/dbraw/zinc/43/87/12/752438712.db2.gz JXEADNHCIFFKAR-JGGQBBKZSA-N 1 2 345.399 0.933 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CC3(F)F)[C@@H](O)C2)s1 ZINC001083448138 752609161 /nfs/dbraw/zinc/60/91/61/752609161.db2.gz AOXNGIHUZHAHAO-UTUOFQBUSA-N 1 2 327.356 0.936 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CC3(F)F)[C@@H](O)C2)s1 ZINC001083448138 752609164 /nfs/dbraw/zinc/60/91/64/752609164.db2.gz AOXNGIHUZHAHAO-UTUOFQBUSA-N 1 2 327.356 0.936 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CCN1C(=O)C#CC1CC1 ZINC000988726113 752623849 /nfs/dbraw/zinc/62/38/49/752623849.db2.gz QPTCCXMMPFYUBJ-KBMXLJTQSA-N 1 2 340.427 0.965 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc[nH]n2)[C@@H]1C ZINC000988737975 752639676 /nfs/dbraw/zinc/63/96/76/752639676.db2.gz ISMVCRNWJUYYKM-IPYPFGDCSA-N 1 2 329.404 0.227 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc[nH]n2)[C@@H]1C ZINC000988737975 752639680 /nfs/dbraw/zinc/63/96/80/752639680.db2.gz ISMVCRNWJUYYKM-IPYPFGDCSA-N 1 2 329.404 0.227 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccn[nH]2)[C@@H]1C ZINC000988737975 752639684 /nfs/dbraw/zinc/63/96/84/752639684.db2.gz ISMVCRNWJUYYKM-IPYPFGDCSA-N 1 2 329.404 0.227 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccn[nH]2)[C@@H]1C ZINC000988737975 752639690 /nfs/dbraw/zinc/63/96/90/752639690.db2.gz ISMVCRNWJUYYKM-IPYPFGDCSA-N 1 2 329.404 0.227 20 30 ECEDLO C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001075919773 752653328 /nfs/dbraw/zinc/65/33/28/752653328.db2.gz BJKNDXMBFDHYPC-UONOGXRCSA-N 1 2 334.420 0.659 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)/C=C\c2ccco2)[C@H](OC)C1 ZINC001211779983 752709197 /nfs/dbraw/zinc/70/91/97/752709197.db2.gz SFOHGYOWRRQKLF-YOVCOIKASA-N 1 2 333.388 0.410 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)/C=C\c2ccco2)[C@H](OC)C1 ZINC001211779983 752709200 /nfs/dbraw/zinc/70/92/00/752709200.db2.gz SFOHGYOWRRQKLF-YOVCOIKASA-N 1 2 333.388 0.410 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3cc[nH]n3)C2)nn1 ZINC001098645484 752730116 /nfs/dbraw/zinc/73/01/16/752730116.db2.gz NERADQIWLQVKPY-HNNXBMFYSA-N 1 2 327.392 0.130 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)Nc3ccon3)C2)[nH]1 ZINC001028486684 752806553 /nfs/dbraw/zinc/80/65/53/752806553.db2.gz JGMWXTZVFPILLB-NSHDSACASA-N 1 2 342.359 0.565 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(=O)Nc3ccon3)C2)[nH]1 ZINC001028486684 752806561 /nfs/dbraw/zinc/80/65/61/752806561.db2.gz JGMWXTZVFPILLB-NSHDSACASA-N 1 2 342.359 0.565 20 30 ECEDLO N#Cc1ccc(N[C@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)nn1 ZINC001058995757 752811614 /nfs/dbraw/zinc/81/16/14/752811614.db2.gz WNXUDJOCTPTGLY-JSGCOSHPSA-N 1 2 337.387 0.820 20 30 ECEDLO COCCN(CCNC(=O)Cc1c[nH+]cn1C)c1ccncc1C#N ZINC001126373129 752814334 /nfs/dbraw/zinc/81/43/34/752814334.db2.gz ODMVOLXKEQXFOT-UHFFFAOYSA-N 1 2 342.403 0.498 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CC[N@H+](Cc3nnnn3C3CC3)C2)c[nH]1 ZINC001028489277 752825791 /nfs/dbraw/zinc/82/57/91/752825791.db2.gz YCCVRUZVETYNGP-LLVKDONJSA-N 1 2 340.391 0.460 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3nnnn3C3CC3)C2)c[nH]1 ZINC001028489277 752825799 /nfs/dbraw/zinc/82/57/99/752825799.db2.gz YCCVRUZVETYNGP-LLVKDONJSA-N 1 2 340.391 0.460 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001007744430 752889118 /nfs/dbraw/zinc/88/91/18/752889118.db2.gz MAXAWAZGJRAHBB-GOSISDBHSA-N 1 2 346.431 0.994 20 30 ECEDLO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC000982611797 753020945 /nfs/dbraw/zinc/02/09/45/753020945.db2.gz SAZIRPOAVMBOFJ-BHYGNILZSA-N 1 2 338.473 0.615 20 30 ECEDLO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC000982611797 753020949 /nfs/dbraw/zinc/02/09/49/753020949.db2.gz SAZIRPOAVMBOFJ-BHYGNILZSA-N 1 2 338.473 0.615 20 30 ECEDLO CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001008022957 753206985 /nfs/dbraw/zinc/20/69/85/753206985.db2.gz PFYZXXDTSPFGHJ-CYBMUJFWSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC001051495102 762207268 /nfs/dbraw/zinc/20/72/68/762207268.db2.gz QSZHOIJFRCTEDT-RYUDHWBXSA-N 1 2 335.408 0.844 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2nc(C(F)F)no2)C1 ZINC001051495938 762210928 /nfs/dbraw/zinc/21/09/28/762210928.db2.gz YZFDFIRHJJWZHZ-RKDXNWHRSA-N 1 2 329.307 0.484 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)c(F)c1 ZINC001008180212 753430686 /nfs/dbraw/zinc/43/06/86/753430686.db2.gz YKPZWMSDZAZHQA-CABCVRRESA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)c(F)c1 ZINC001008180212 753430691 /nfs/dbraw/zinc/43/06/91/753430691.db2.gz YKPZWMSDZAZHQA-CABCVRRESA-N 1 2 344.390 0.914 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](NC(=O)c3cn[nH]c3)[C@@H](O)C2)cc1C#N ZINC001083353326 753649470 /nfs/dbraw/zinc/64/94/70/753649470.db2.gz YRYXGRPEVYAMTL-CABCVRRESA-N 1 2 341.371 0.265 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3cn[nH]c3)[C@@H](O)C2)cc1C#N ZINC001083353326 753649475 /nfs/dbraw/zinc/64/94/75/753649475.db2.gz YRYXGRPEVYAMTL-CABCVRRESA-N 1 2 341.371 0.265 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3cnsn3)[C@@H](O)C2)cc1 ZINC001083355096 753656612 /nfs/dbraw/zinc/65/66/12/753656612.db2.gz DSMLHSGRDIRSHX-KGLIPLIRSA-N 1 2 329.385 0.385 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)c3cnsn3)[C@@H](O)C2)cc1 ZINC001083355096 753656613 /nfs/dbraw/zinc/65/66/13/753656613.db2.gz DSMLHSGRDIRSHX-KGLIPLIRSA-N 1 2 329.385 0.385 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3scnc3Cl)C2)nn1 ZINC001105372691 753680345 /nfs/dbraw/zinc/68/03/45/753680345.db2.gz SPBSQYWRPNBVKT-UHFFFAOYSA-N 1 2 336.808 0.808 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ocnc3C)C2)nn1 ZINC001098649969 753720226 /nfs/dbraw/zinc/72/02/26/753720226.db2.gz XENYTCQENKGMFV-AWEZNQCLSA-N 1 2 328.376 0.775 20 30 ECEDLO CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001105490066 753733109 /nfs/dbraw/zinc/73/31/09/753733109.db2.gz ZMZSIHWCUSDWNC-CYBMUJFWSA-N 1 2 339.403 0.702 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2nnc(C)[nH]2)C1 ZINC001028602110 753883753 /nfs/dbraw/zinc/88/37/53/753883753.db2.gz XCDGYXCUFPNOQB-GJZGRUSLSA-N 1 2 330.436 0.149 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2nnc(C)[nH]2)C1 ZINC001028602110 753883762 /nfs/dbraw/zinc/88/37/62/753883762.db2.gz XCDGYXCUFPNOQB-GJZGRUSLSA-N 1 2 330.436 0.149 20 30 ECEDLO COCCN(CCNC(=O)Cc1[nH]cc[nH+]1)c1ccc(C#N)cn1 ZINC001126395485 753959658 /nfs/dbraw/zinc/95/96/58/753959658.db2.gz NJFOYVVYDOUPCO-UHFFFAOYSA-N 1 2 328.376 0.488 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cncn3C)C2)nn1 ZINC001008791897 754122682 /nfs/dbraw/zinc/12/26/82/754122682.db2.gz BBSXILKMTBAVCJ-ZDUSSCGKSA-N 1 2 329.408 0.592 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cncn3C)C2)nn1 ZINC001008791897 754122685 /nfs/dbraw/zinc/12/26/85/754122685.db2.gz BBSXILKMTBAVCJ-ZDUSSCGKSA-N 1 2 329.408 0.592 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCCN(Cc3c[nH+]cn3C)C2)nn1 ZINC001008791897 754122690 /nfs/dbraw/zinc/12/26/90/754122690.db2.gz BBSXILKMTBAVCJ-ZDUSSCGKSA-N 1 2 329.408 0.592 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000983069328 754550742 /nfs/dbraw/zinc/55/07/42/754550742.db2.gz ZMSVBPNEHRLBAH-GFCCVEGCSA-N 1 2 340.387 0.739 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001009126996 754558079 /nfs/dbraw/zinc/55/80/79/754558079.db2.gz WSOXHUMSTGAMML-UONOGXRCSA-N 1 2 344.415 0.729 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001009126996 754558085 /nfs/dbraw/zinc/55/80/85/754558085.db2.gz WSOXHUMSTGAMML-UONOGXRCSA-N 1 2 344.415 0.729 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC000990135030 754760607 /nfs/dbraw/zinc/76/06/07/754760607.db2.gz MEYKMZXQPGHABD-WCVJEAGWSA-N 1 2 346.431 0.970 20 30 ECEDLO Cn1cnnc1C[N@@H+]1CC[C@@]2(NC(=O)c3cc(C#N)c[nH]3)CCC[C@H]12 ZINC000990160620 754785675 /nfs/dbraw/zinc/78/56/75/754785675.db2.gz JZAPQSYOVQGLSK-YOEHRIQHSA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1cnnc1C[N@H+]1CC[C@@]2(NC(=O)c3cc(C#N)c[nH]3)CCC[C@H]12 ZINC000990160620 754785678 /nfs/dbraw/zinc/78/56/78/754785678.db2.gz JZAPQSYOVQGLSK-YOEHRIQHSA-N 1 2 339.403 0.942 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001009420573 754870281 /nfs/dbraw/zinc/87/02/81/754870281.db2.gz XJTCIHXFSKEAMC-NSHDSACASA-N 1 2 342.827 0.650 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001009420573 754870286 /nfs/dbraw/zinc/87/02/86/754870286.db2.gz XJTCIHXFSKEAMC-NSHDSACASA-N 1 2 342.827 0.650 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)c1 ZINC001009496150 754950439 /nfs/dbraw/zinc/95/04/39/754950439.db2.gz PUCBAUWZZIFMOV-OSYLJGHBSA-N 1 2 349.394 0.463 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3csnn3)C2)cc1 ZINC001077463532 755192055 /nfs/dbraw/zinc/19/20/55/755192055.db2.gz KKXRYSGOFNCKRP-TZMCWYRMSA-N 1 2 329.385 0.385 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3csnn3)C2)cc1 ZINC001077463532 755192057 /nfs/dbraw/zinc/19/20/57/755192057.db2.gz KKXRYSGOFNCKRP-TZMCWYRMSA-N 1 2 329.385 0.385 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2nnnn2C2CC2)C1 ZINC001028808570 755197054 /nfs/dbraw/zinc/19/70/54/755197054.db2.gz ALYMMQGRCFUCJZ-YUELXQCFSA-N 1 2 346.435 0.537 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC001028808570 755197057 /nfs/dbraw/zinc/19/70/57/755197057.db2.gz ALYMMQGRCFUCJZ-YUELXQCFSA-N 1 2 346.435 0.537 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3nonc3C)C2)C1=O ZINC001009725270 755306422 /nfs/dbraw/zinc/30/64/22/755306422.db2.gz PZFZQTBCHWVXFW-CHWSQXEVSA-N 1 2 333.392 0.359 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3nonc3C)C2)C1=O ZINC001009725270 755306425 /nfs/dbraw/zinc/30/64/25/755306425.db2.gz PZFZQTBCHWVXFW-CHWSQXEVSA-N 1 2 333.392 0.359 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3nnc(C)[nH]3)C2)nn1 ZINC001028858262 755323393 /nfs/dbraw/zinc/32/33/93/755323393.db2.gz OXBWYWPDTXMDRC-ZDUSSCGKSA-N 1 2 344.423 0.533 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3nnc(C)[nH]3)C2)nn1 ZINC001028858262 755323397 /nfs/dbraw/zinc/32/33/97/755323397.db2.gz OXBWYWPDTXMDRC-ZDUSSCGKSA-N 1 2 344.423 0.533 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@H](CNc2cncc(C#N)n2)C1 ZINC001060041405 755335363 /nfs/dbraw/zinc/33/53/63/755335363.db2.gz WMNZYZZZXLZZDK-CYBMUJFWSA-N 1 2 339.403 0.975 20 30 ECEDLO COCCN(CCNC(=O)CCn1cc[nH+]c1)c1ccnc(C#N)n1 ZINC001126450716 755480003 /nfs/dbraw/zinc/48/00/03/755480003.db2.gz JDEOWNHPNKAKAG-UHFFFAOYSA-N 1 2 343.391 0.204 20 30 ECEDLO O=C(Cn1cnnn1)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010108161 755658244 /nfs/dbraw/zinc/65/82/44/755658244.db2.gz QRZDIFWTLRWFHW-OAHLLOKOSA-N 1 2 328.351 0.054 20 30 ECEDLO O=C(Cn1cnnn1)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010108161 755658247 /nfs/dbraw/zinc/65/82/47/755658247.db2.gz QRZDIFWTLRWFHW-OAHLLOKOSA-N 1 2 328.351 0.054 20 30 ECEDLO CCCCNC(=O)Cc1noc(C[NH2+]CCNC(=O)C#CC2CC2)n1 ZINC001126881142 755777909 /nfs/dbraw/zinc/77/79/09/755777909.db2.gz LTMDOSZMKZRZBP-UHFFFAOYSA-N 1 2 347.419 0.148 20 30 ECEDLO C[C@H]1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cn1cc[nH+]c1 ZINC001010206676 755811521 /nfs/dbraw/zinc/81/15/21/755811521.db2.gz NEFQIIBRZYNXKT-STQMWFEESA-N 1 2 340.387 0.750 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccsc2)C1 ZINC001149137828 755827240 /nfs/dbraw/zinc/82/72/40/755827240.db2.gz RMOGSEVDYPISIQ-AWEZNQCLSA-N 1 2 337.445 0.871 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccsc2)C1 ZINC001149137828 755827246 /nfs/dbraw/zinc/82/72/46/755827246.db2.gz RMOGSEVDYPISIQ-AWEZNQCLSA-N 1 2 337.445 0.871 20 30 ECEDLO N#Cc1nccnc1NC[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060093362 756008013 /nfs/dbraw/zinc/00/80/13/756008013.db2.gz DQYKQTKUVIOCBO-LBPRGKRZSA-N 1 2 325.376 0.965 20 30 ECEDLO CN(CCCN(C)c1cnc(C#N)cn1)C(=O)CCc1c[nH+]cn1C ZINC001112110046 762448081 /nfs/dbraw/zinc/44/80/81/762448081.db2.gz WIWVHXMNGKEBSX-UHFFFAOYSA-N 1 2 341.419 0.999 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001010548272 756228886 /nfs/dbraw/zinc/22/88/86/756228886.db2.gz XIQJSAMRVXUDLB-XJKSGUPXSA-N 1 2 326.400 0.775 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001010548272 756228889 /nfs/dbraw/zinc/22/88/89/756228889.db2.gz XIQJSAMRVXUDLB-XJKSGUPXSA-N 1 2 326.400 0.775 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001010633551 756329536 /nfs/dbraw/zinc/32/95/36/756329536.db2.gz VHGWGLGZIFOSFS-CYBMUJFWSA-N 1 2 329.404 0.953 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cc(OC)no3)C2)C1=O ZINC001010698631 756414210 /nfs/dbraw/zinc/41/42/10/756414210.db2.gz BWQFZXFWZWSKEO-NWDGAFQWSA-N 1 2 334.376 0.274 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(OC)no3)C2)C1=O ZINC001010698631 756414214 /nfs/dbraw/zinc/41/42/14/756414214.db2.gz BWQFZXFWZWSKEO-NWDGAFQWSA-N 1 2 334.376 0.274 20 30 ECEDLO C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001076429910 756499295 /nfs/dbraw/zinc/49/92/95/756499295.db2.gz MUASWTXJATXBMM-DZGCQCFKSA-N 1 2 328.416 0.870 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3nccn3CC)C2)nn1 ZINC001098664854 756727164 /nfs/dbraw/zinc/72/71/64/756727164.db2.gz QQNALSCKWGARBO-HNNXBMFYSA-N 1 2 341.419 0.695 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@]2(C)CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC001011003816 756752164 /nfs/dbraw/zinc/75/21/64/756752164.db2.gz SGAHZPDDDHRLQM-JLZZUVOBSA-N 1 2 329.404 0.809 20 30 ECEDLO Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)CCCn2cc[nH+]c2)n1 ZINC001105894711 762495202 /nfs/dbraw/zinc/49/52/02/762495202.db2.gz SBGLISQJWSSNRP-OAHLLOKOSA-N 1 2 342.403 0.828 20 30 ECEDLO N#Cc1cc(C(=O)NC2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)c[nH]1 ZINC000990936168 756916240 /nfs/dbraw/zinc/91/62/40/756916240.db2.gz SVENFEDMJWUIDI-ZDUSSCGKSA-N 1 2 338.371 0.670 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)COCCC)nn2)C1 ZINC001107141086 756953645 /nfs/dbraw/zinc/95/36/45/756953645.db2.gz MMZTVQAMRSBJAF-UHFFFAOYSA-N 1 2 337.424 0.380 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)Cc3cnn(C)c3)nn2)C1 ZINC001107142815 757012694 /nfs/dbraw/zinc/01/26/94/757012694.db2.gz QXCZUUNWYWEWKV-UHFFFAOYSA-N 1 2 329.408 0.303 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@H](CC)OC)nn2)C1 ZINC001107144014 757023258 /nfs/dbraw/zinc/02/32/58/757023258.db2.gz APHJYBQHJOOFLB-HNNXBMFYSA-N 1 2 337.424 0.379 20 30 ECEDLO C[C@H](C#N)C(=O)NCc1cn(C2C[NH+](CCc3ccns3)C2)nn1 ZINC001107149604 757051931 /nfs/dbraw/zinc/05/19/31/757051931.db2.gz KMKAEZOPCRBPNR-LLVKDONJSA-N 1 2 345.432 0.610 20 30 ECEDLO CC(C)COCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)C#N)nn2)C1 ZINC001107149933 757054734 /nfs/dbraw/zinc/05/47/34/757054734.db2.gz VWCQSAURPRJCJU-ZDUSSCGKSA-N 1 2 334.424 0.583 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)/C=C/C3CC3)nn2)C1 ZINC001107153810 757118950 /nfs/dbraw/zinc/11/89/50/757118950.db2.gz OKQMADITTVTWSD-AATRIKPKSA-N 1 2 331.420 0.920 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=COCCC2)C1 ZINC001076791849 757131799 /nfs/dbraw/zinc/13/17/99/757131799.db2.gz JXSFTXVPZNOLRI-IAGOWNOFSA-N 1 2 327.384 0.914 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2=COCCC2)C1 ZINC001076791849 757131803 /nfs/dbraw/zinc/13/18/03/757131803.db2.gz JXSFTXVPZNOLRI-IAGOWNOFSA-N 1 2 327.384 0.914 20 30 ECEDLO C#CCCCC(=O)NCc1cn(C2C[NH+](CCOCC=C)C2)nn1 ZINC001107165336 757178599 /nfs/dbraw/zinc/17/85/99/757178599.db2.gz STVIUXPWCBMVGG-UHFFFAOYSA-N 1 2 331.420 0.757 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H](OC)C3CC3)nn2)C1 ZINC001107167338 757233658 /nfs/dbraw/zinc/23/36/58/757233658.db2.gz QZWRUMYMVREEPK-INIZCTEOSA-N 1 2 349.435 0.379 20 30 ECEDLO O=C(C[C@@H]1CCOC1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001076824150 757276765 /nfs/dbraw/zinc/27/67/65/757276765.db2.gz XODIZXFEOXJUKB-RCCFBDPRSA-N 1 2 328.412 0.626 20 30 ECEDLO O=C(C[C@@H]1CCOC1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001076824150 757276767 /nfs/dbraw/zinc/27/67/67/757276767.db2.gz XODIZXFEOXJUKB-RCCFBDPRSA-N 1 2 328.412 0.626 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)Cc3cnccc3C)nn2)C1 ZINC001107179540 757295002 /nfs/dbraw/zinc/29/50/02/757295002.db2.gz MFLIOVNSHDGTRF-UHFFFAOYSA-N 1 2 338.415 0.720 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)COc3cc(C)on3)nn2)C1 ZINC001107180265 757299752 /nfs/dbraw/zinc/29/97/52/757299752.db2.gz KDJMYVOZVBFWSG-UHFFFAOYSA-N 1 2 332.364 0.312 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCc3ccon3)nn2)C1 ZINC001107185542 757359139 /nfs/dbraw/zinc/35/91/39/757359139.db2.gz XFGKNTGBHJEEIZ-UHFFFAOYSA-N 1 2 328.376 0.395 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)CCC(F)F)nn2)C1 ZINC001107185491 757359345 /nfs/dbraw/zinc/35/93/45/757359345.db2.gz UKMQPZCXVKYKFY-UHFFFAOYSA-N 1 2 343.378 0.999 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)c1 ZINC001011280199 757387825 /nfs/dbraw/zinc/38/78/25/757387825.db2.gz DONYPDVZTVXORM-UHFFFAOYSA-N 1 2 337.383 0.703 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)c1 ZINC001011280199 757387832 /nfs/dbraw/zinc/38/78/32/757387832.db2.gz DONYPDVZTVXORM-UHFFFAOYSA-N 1 2 337.383 0.703 20 30 ECEDLO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001048917041 757405003 /nfs/dbraw/zinc/40/50/03/757405003.db2.gz ZESQVKOCJRSFPD-SNPRPXQTSA-N 1 2 334.420 0.585 20 30 ECEDLO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001048917041 757405010 /nfs/dbraw/zinc/40/50/10/757405010.db2.gz ZESQVKOCJRSFPD-SNPRPXQTSA-N 1 2 334.420 0.585 20 30 ECEDLO C=CCn1cccc1C(=O)N1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC000996451365 757716998 /nfs/dbraw/zinc/71/69/98/757716998.db2.gz ZMKQPTSQGTYJJU-UHFFFAOYSA-N 1 2 327.388 0.591 20 30 ECEDLO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)o1 ZINC001076961897 757733763 /nfs/dbraw/zinc/73/37/63/757733763.db2.gz GGFAWXPCUHVABJ-CHWSQXEVSA-N 1 2 347.400 0.215 20 30 ECEDLO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)o1 ZINC001076961897 757733769 /nfs/dbraw/zinc/73/37/69/757733769.db2.gz GGFAWXPCUHVABJ-CHWSQXEVSA-N 1 2 347.400 0.215 20 30 ECEDLO C#CCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001049031554 757745335 /nfs/dbraw/zinc/74/53/35/757745335.db2.gz YXWCBUNJRKZKQJ-GJZGRUSLSA-N 1 2 332.404 0.107 20 30 ECEDLO CC#CCN1CC(n2cc(CNC(=O)C[C@@H](C)n3cc[nH+]c3)nn2)C1 ZINC001107215842 757794025 /nfs/dbraw/zinc/79/40/25/757794025.db2.gz ORXLIWZUMSNSKT-CQSZACIVSA-N 1 2 341.419 0.622 20 30 ECEDLO C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127737171 757833264 /nfs/dbraw/zinc/83/32/64/757833264.db2.gz LOXZEVPOCHEWHL-NSHDSACASA-N 1 2 325.306 0.793 20 30 ECEDLO C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@H](F)C(F)(F)F ZINC001127737171 757833280 /nfs/dbraw/zinc/83/32/80/757833280.db2.gz LOXZEVPOCHEWHL-NSHDSACASA-N 1 2 325.306 0.793 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1O ZINC001077019454 757951400 /nfs/dbraw/zinc/95/14/00/757951400.db2.gz VXLPKNWCFAAZIA-FPCVCCKLSA-N 1 2 334.420 0.063 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1O ZINC001077019454 757951405 /nfs/dbraw/zinc/95/14/05/757951405.db2.gz VXLPKNWCFAAZIA-FPCVCCKLSA-N 1 2 334.420 0.063 20 30 ECEDLO C=C(Cl)CN1CC(n2cc(CNC(=O)Cc3[nH]c[nH+]c3C)nn2)C1 ZINC001107234221 757977643 /nfs/dbraw/zinc/97/76/43/757977643.db2.gz XLFWEIWGMOQOKF-UHFFFAOYSA-N 1 2 349.826 0.778 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3C)C[C@@H]2C1 ZINC001049111261 757986280 /nfs/dbraw/zinc/98/62/80/757986280.db2.gz MTHOXHDHMFYSKX-IVSAIRAKSA-N 1 2 345.447 0.687 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3C)C[C@@H]2C1 ZINC001049111261 757986286 /nfs/dbraw/zinc/98/62/86/757986286.db2.gz MTHOXHDHMFYSKX-IVSAIRAKSA-N 1 2 345.447 0.687 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCCC(=O)NCC)nn2)C1 ZINC001107229171 757989972 /nfs/dbraw/zinc/98/99/72/757989972.db2.gz DZDGYCWCAZFCMX-UHFFFAOYSA-N 1 2 334.424 0.243 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)OC[C@H]3CCCO3)nn2)C1 ZINC001107241094 758042950 /nfs/dbraw/zinc/04/29/50/758042950.db2.gz MHPFQYBQZOGMLV-CZUORRHYSA-N 1 2 349.435 0.521 20 30 ECEDLO C=CCC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001049125885 758045504 /nfs/dbraw/zinc/04/55/04/758045504.db2.gz LVKCIZGRAIZEHO-GJZGRUSLSA-N 1 2 348.447 0.906 20 30 ECEDLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](OC)C1 ZINC001212127224 758191108 /nfs/dbraw/zinc/19/11/08/758191108.db2.gz HGDCVNWLRMYXCH-HUUCEWRRSA-N 1 2 347.419 0.184 20 30 ECEDLO CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](OC)C1 ZINC001212127224 758191116 /nfs/dbraw/zinc/19/11/16/758191116.db2.gz HGDCVNWLRMYXCH-HUUCEWRRSA-N 1 2 347.419 0.184 20 30 ECEDLO C#CCCCCCC(=O)N(C)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001049185464 758247256 /nfs/dbraw/zinc/24/72/56/758247256.db2.gz WOTLROUGPLLXNK-HOTGVXAUSA-N 1 2 346.431 0.566 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC/C=C\CNc1[nH+]cnc2c1cnn2C ZINC001107346077 758357842 /nfs/dbraw/zinc/35/78/42/758357842.db2.gz LURFBQOECRIJRS-FJOGCWAESA-N 1 2 328.376 0.486 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC/C=C/CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001107346182 758358590 /nfs/dbraw/zinc/35/85/90/758358590.db2.gz MQSFYNCMNNWUEL-GUOLPTJISA-N 1 2 332.408 0.369 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2CC(F)(F)F)C1 ZINC001077178751 758416683 /nfs/dbraw/zinc/41/66/83/758416683.db2.gz ZCPRMXDJZXFHLU-ZYHUDNBSSA-N 1 2 330.310 0.244 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2CC(F)(F)F)C1 ZINC001077178751 758416688 /nfs/dbraw/zinc/41/66/88/758416688.db2.gz ZCPRMXDJZXFHLU-ZYHUDNBSSA-N 1 2 330.310 0.244 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CC(F)F)nc2C)C1 ZINC001077188663 758454283 /nfs/dbraw/zinc/45/42/83/758454283.db2.gz QRQCLIJKZJWKLY-CHWSQXEVSA-N 1 2 326.347 0.255 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(CC(F)F)nc2C)C1 ZINC001077188663 758454291 /nfs/dbraw/zinc/45/42/91/758454291.db2.gz QRQCLIJKZJWKLY-CHWSQXEVSA-N 1 2 326.347 0.255 20 30 ECEDLO COC1CC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)C1 ZINC001077193993 758476771 /nfs/dbraw/zinc/47/67/71/758476771.db2.gz USRPHKAWUHCAOF-FWFPMQDGSA-N 1 2 335.429 0.706 20 30 ECEDLO COC1CC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)C1 ZINC001077193993 758476778 /nfs/dbraw/zinc/47/67/78/758476778.db2.gz USRPHKAWUHCAOF-FWFPMQDGSA-N 1 2 335.429 0.706 20 30 ECEDLO C#CCCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001049320752 758515709 /nfs/dbraw/zinc/51/57/09/758515709.db2.gz CBDQMELPOOZOMX-GJZGRUSLSA-N 1 2 346.431 0.566 20 30 ECEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC)C[C@H]1O ZINC001077246785 758598522 /nfs/dbraw/zinc/59/85/22/758598522.db2.gz GRVZARFHKWTLBX-BPLDGKMQSA-N 1 2 347.415 0.161 20 30 ECEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC)C[C@H]1O ZINC001077246785 758598525 /nfs/dbraw/zinc/59/85/25/758598525.db2.gz GRVZARFHKWTLBX-BPLDGKMQSA-N 1 2 347.415 0.161 20 30 ECEDLO C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1O ZINC001049401087 758633001 /nfs/dbraw/zinc/63/30/01/758633001.db2.gz BCCKOFVLDPLESV-UBHSHLNASA-N 1 2 341.371 0.138 20 30 ECEDLO C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001077260626 758638555 /nfs/dbraw/zinc/63/85/55/758638555.db2.gz NZSYPNZSUKTCLV-NILFDRSVSA-N 1 2 338.839 0.737 20 30 ECEDLO N#Cc1cnc(N2CC=C(CNC(=O)CCc3c[nH]c[nH+]3)CC2)cn1 ZINC001127782369 758707126 /nfs/dbraw/zinc/70/71/26/758707126.db2.gz SNVQLKJGCDOJFW-UHFFFAOYSA-N 1 2 337.387 0.957 20 30 ECEDLO N#Cc1cnc(N2CC=C(CNC(=O)CCc3c[nH+]c[nH]3)CC2)cn1 ZINC001127782369 758707129 /nfs/dbraw/zinc/70/71/29/758707129.db2.gz SNVQLKJGCDOJFW-UHFFFAOYSA-N 1 2 337.387 0.957 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]21 ZINC001022565039 758893880 /nfs/dbraw/zinc/89/38/80/758893880.db2.gz RLQWUEFNHTWVGW-VNHYZAJKSA-N 1 2 329.404 0.572 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001011916010 758940553 /nfs/dbraw/zinc/94/05/53/758940553.db2.gz YUNOXIBIRLSEPA-BXUZGUMPSA-N 1 2 340.387 0.582 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@H](n2cc(C[NH2+]CCF)nn2)C1 ZINC001098669306 758952068 /nfs/dbraw/zinc/95/20/68/758952068.db2.gz MRMYQGUPJYUGCO-DZGCQCFKSA-N 1 2 325.388 0.438 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H]1C ZINC001011938296 759003354 /nfs/dbraw/zinc/00/33/54/759003354.db2.gz DIPFXWSEQZCWHI-WCQYABFASA-N 1 2 340.387 0.880 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001012008854 759189395 /nfs/dbraw/zinc/18/93/95/759189395.db2.gz PVVSEBZDJLPVDJ-GXFFZTMASA-N 1 2 326.360 0.571 20 30 ECEDLO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001049791864 759215154 /nfs/dbraw/zinc/21/51/54/759215154.db2.gz CIZBEXZWLQSYMS-KBPBESRZSA-N 1 2 342.403 0.323 20 30 ECEDLO C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001049791864 759215159 /nfs/dbraw/zinc/21/51/59/759215159.db2.gz CIZBEXZWLQSYMS-KBPBESRZSA-N 1 2 342.403 0.323 20 30 ECEDLO Cc1nonc1C(=O)N(C)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047648387 759405886 /nfs/dbraw/zinc/40/58/86/759405886.db2.gz MDWONWVACABCGN-GJZGRUSLSA-N 1 2 341.371 0.567 20 30 ECEDLO Cc1nonc1C(=O)N(C)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047648387 759405888 /nfs/dbraw/zinc/40/58/88/759405888.db2.gz MDWONWVACABCGN-GJZGRUSLSA-N 1 2 341.371 0.567 20 30 ECEDLO C#CCOCCC(=O)NCC[NH2+]Cc1nc(CC(F)(F)F)no1 ZINC001127023563 759523770 /nfs/dbraw/zinc/52/37/70/759523770.db2.gz NWAHNUGIJPEDBV-UHFFFAOYSA-N 1 2 334.298 0.420 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCC(OC2C[NH+](CCOCC)C2)CC1 ZINC001105708623 759662153 /nfs/dbraw/zinc/66/21/53/759662153.db2.gz RCUUFXQDGIKZPR-OAHLLOKOSA-N 1 2 338.448 0.753 20 30 ECEDLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001050097108 759694221 /nfs/dbraw/zinc/69/42/21/759694221.db2.gz CXQABZWMQZRWLO-NWDGAFQWSA-N 1 2 335.433 0.562 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCCS3(=O)=O)[C@@H]2C1 ZINC001050105501 759713460 /nfs/dbraw/zinc/71/34/60/759713460.db2.gz HIARBOMBCIHLCO-HRCADAONSA-N 1 2 338.473 0.900 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCCS3(=O)=O)[C@@H]2C1 ZINC001050105501 759713467 /nfs/dbraw/zinc/71/34/67/759713467.db2.gz HIARBOMBCIHLCO-HRCADAONSA-N 1 2 338.473 0.900 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000995541821 759745581 /nfs/dbraw/zinc/74/55/81/759745581.db2.gz VCVCZZPGJVINID-HIFRSBDPSA-N 1 2 340.383 0.866 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@@H+](Cc3nncn3C)C[C@H]21 ZINC001050144789 759797296 /nfs/dbraw/zinc/79/72/96/759797296.db2.gz XNDZDSJQLXKBNY-JJXSEGSLSA-N 1 2 345.447 0.829 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@H+](Cc3nncn3C)C[C@H]21 ZINC001050144789 759797302 /nfs/dbraw/zinc/79/73/02/759797302.db2.gz XNDZDSJQLXKBNY-JJXSEGSLSA-N 1 2 345.447 0.829 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](OC)C1 ZINC001212139301 759962981 /nfs/dbraw/zinc/96/29/81/759962981.db2.gz VUJQVGOLYGFLIC-NILFDRSVSA-N 1 2 345.403 0.006 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](OC)C1 ZINC001212139301 759962987 /nfs/dbraw/zinc/96/29/87/759962987.db2.gz VUJQVGOLYGFLIC-NILFDRSVSA-N 1 2 345.403 0.006 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001012489734 760074249 /nfs/dbraw/zinc/07/42/49/760074249.db2.gz OHJGBSNJBQOYHU-AAEUAGOBSA-N 1 2 340.387 0.582 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H]([C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001050296074 760076027 /nfs/dbraw/zinc/07/60/27/760076027.db2.gz AXBMCTMBIGNFSH-JSGCOSHPSA-N 1 2 334.420 0.816 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001012491019 760078001 /nfs/dbraw/zinc/07/80/01/760078001.db2.gz XXCRZEJBVWYERJ-ZYHUDNBSSA-N 1 2 326.360 0.571 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001012491630 760079820 /nfs/dbraw/zinc/07/98/20/760079820.db2.gz ZPIBUGIZPNQAFW-ZWNOBZJWSA-N 1 2 326.360 0.571 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H]([C@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001050298194 760080263 /nfs/dbraw/zinc/08/02/63/760080263.db2.gz SFAHYAAIQYMHOK-UONOGXRCSA-N 1 2 334.420 0.518 20 30 ECEDLO Cn1ncc(C[NH+]2CCC3(CN(C(=O)c4c[nH]c(C#N)c4)C3)CC2)n1 ZINC001050492803 760357763 /nfs/dbraw/zinc/35/77/63/760357763.db2.gz OWUHEFYVZMWIDX-UHFFFAOYSA-N 1 2 339.403 0.753 20 30 ECEDLO C[C@H](c1nnnn1C)[NH+]1CCC2(CN(C(=O)C#CC3CC3)C2)CC1 ZINC001050514994 760409172 /nfs/dbraw/zinc/40/91/72/760409172.db2.gz BHTKDVMAVZPSCQ-CYBMUJFWSA-N 1 2 328.420 0.609 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)OCC)nn2)C1 ZINC001107132269 760549537 /nfs/dbraw/zinc/54/95/37/760549537.db2.gz PBZSGJKXGPNQIU-ZDUSSCGKSA-N 1 2 337.424 0.379 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2COCCO2)cc1 ZINC001032290490 760562596 /nfs/dbraw/zinc/56/25/96/760562596.db2.gz QMUXCMOHOBBZOJ-YESZJQIVSA-N 1 2 327.384 0.759 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2COCCO2)cc1 ZINC001032290490 760562597 /nfs/dbraw/zinc/56/25/97/760562597.db2.gz QMUXCMOHOBBZOJ-YESZJQIVSA-N 1 2 327.384 0.759 20 30 ECEDLO C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@@H]1O ZINC001048530880 760669610 /nfs/dbraw/zinc/66/96/10/760669610.db2.gz OBLGGBJFGCPXQS-ILXRZTDVSA-N 1 2 346.431 0.442 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001050728111 760740119 /nfs/dbraw/zinc/74/01/19/760740119.db2.gz JSFUZSAVAHVQJL-KGLIPLIRSA-N 1 2 332.404 0.345 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001050735796 760755400 /nfs/dbraw/zinc/75/54/00/760755400.db2.gz NHNJTYSOTDJXRA-JKSUJKDBSA-N 1 2 346.431 0.666 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001050735638 760755545 /nfs/dbraw/zinc/75/55/45/760755545.db2.gz LQLWNMPHJOKZRA-ZIAGYGMSSA-N 1 2 332.404 0.345 20 30 ECEDLO C=CCO[C@@H](C)C(=O)NCC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001060235187 760806604 /nfs/dbraw/zinc/80/66/04/760806604.db2.gz KEGWGZJZNCPXNZ-KBPBESRZSA-N 1 2 334.420 0.898 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2COCC[N@@H+]2CC[C@@H]2CCCO2)c1 ZINC001050864808 761033215 /nfs/dbraw/zinc/03/32/15/761033215.db2.gz FXJYBYXSCGPPKK-CABCVRRESA-N 1 2 332.404 0.886 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2COCC[N@H+]2CC[C@@H]2CCCO2)c1 ZINC001050864808 761033223 /nfs/dbraw/zinc/03/32/23/761033223.db2.gz FXJYBYXSCGPPKK-CABCVRRESA-N 1 2 332.404 0.886 20 30 ECEDLO CC(C)Cn1ncnc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C1 ZINC001048726625 761051561 /nfs/dbraw/zinc/05/15/61/761051561.db2.gz GGFOUZLWTIRMSL-SOUVJXGZSA-N 1 2 330.436 0.984 20 30 ECEDLO CC(C)Cn1ncnc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C1 ZINC001048726625 761051571 /nfs/dbraw/zinc/05/15/71/761051571.db2.gz GGFOUZLWTIRMSL-SOUVJXGZSA-N 1 2 330.436 0.984 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2COCC[N@@H+]2CC[C@@H]2CCCO2)c[nH]1 ZINC001050880181 761061308 /nfs/dbraw/zinc/06/13/08/761061308.db2.gz NRGZAKWKJASSNB-HOTGVXAUSA-N 1 2 332.404 0.886 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2COCC[N@H+]2CC[C@@H]2CCCO2)c[nH]1 ZINC001050880181 761061315 /nfs/dbraw/zinc/06/13/15/761061315.db2.gz NRGZAKWKJASSNB-HOTGVXAUSA-N 1 2 332.404 0.886 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC001050944906 761186943 /nfs/dbraw/zinc/18/69/43/761186943.db2.gz GDSPHCKVXUFVBQ-CVEARBPZSA-N 1 2 337.464 0.884 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC001050944906 761186948 /nfs/dbraw/zinc/18/69/48/761186948.db2.gz GDSPHCKVXUFVBQ-CVEARBPZSA-N 1 2 337.464 0.884 20 30 ECEDLO C=CC[NH+]1CC(OC2CCN(C(=O)COCc3ccnn3C)CC2)C1 ZINC001105714134 761247334 /nfs/dbraw/zinc/24/73/34/761247334.db2.gz KZABADHVDQOVRG-UHFFFAOYSA-N 1 2 348.447 0.815 20 30 ECEDLO Cc1nc(N2CC[C@@H](n3cc(CNC(=O)[C@H](C)C#N)nn3)C2)cc[nH+]1 ZINC001127103747 761279217 /nfs/dbraw/zinc/27/92/17/761279217.db2.gz GGZACSSXHQGFNJ-BXUZGUMPSA-N 1 2 340.391 0.604 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1sccc1-n1cnnn1 ZINC001050999863 761307849 /nfs/dbraw/zinc/30/78/49/761307849.db2.gz CMRIWRLIOFCANJ-LBPRGKRZSA-N 1 2 348.432 0.731 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1sccc1-n1cnnn1 ZINC001050999863 761307859 /nfs/dbraw/zinc/30/78/59/761307859.db2.gz CMRIWRLIOFCANJ-LBPRGKRZSA-N 1 2 348.432 0.731 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cc1c[nH+]cn1C ZINC001013324264 761307797 /nfs/dbraw/zinc/30/77/97/761307797.db2.gz FPFWUTGUUYSSTB-BXUZGUMPSA-N 1 2 340.387 0.582 20 30 ECEDLO CC#CCN1CCOC[C@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001051191759 761655860 /nfs/dbraw/zinc/65/58/60/761655860.db2.gz KZRUBKOTFYIOAK-MRXNPFEDSA-N 1 2 339.399 0.721 20 30 ECEDLO N#CCN1CCOC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001051208127 761691101 /nfs/dbraw/zinc/69/11/01/761691101.db2.gz YCMZEIOEWRQWPD-CQSZACIVSA-N 1 2 326.360 0.221 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCc2nnc(C)n2C1 ZINC001051253477 761770687 /nfs/dbraw/zinc/77/06/87/761770687.db2.gz REIHEMAMGJHDDC-LSDHHAIUSA-N 1 2 333.436 0.542 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCc2nnc(C)n2C1 ZINC001051253477 761770691 /nfs/dbraw/zinc/77/06/91/761770691.db2.gz REIHEMAMGJHDDC-LSDHHAIUSA-N 1 2 333.436 0.542 20 30 ECEDLO C=CCOCC(=O)N[C@H](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001051312836 761867433 /nfs/dbraw/zinc/86/74/33/761867433.db2.gz YPNYVAHGSTWXCP-OCCSQVGLSA-N 1 2 334.420 0.816 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)CNc1nc(C)ccc1C#N ZINC001105920204 762771485 /nfs/dbraw/zinc/77/14/85/762771485.db2.gz BGSVTQBCIQKNBT-CYBMUJFWSA-N 1 2 328.376 0.425 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCO[C@H](C[NH2+]Cc3nc(C)no3)C2)c1 ZINC001051817461 763033489 /nfs/dbraw/zinc/03/34/89/763033489.db2.gz SKFMEFIUPNBELJ-OAHLLOKOSA-N 1 2 341.371 0.385 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014743002 763070984 /nfs/dbraw/zinc/07/09/84/763070984.db2.gz XQLOVDXHTWCLIP-INIZCTEOSA-N 1 2 342.399 0.108 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014743002 763070993 /nfs/dbraw/zinc/07/09/93/763070993.db2.gz XQLOVDXHTWCLIP-INIZCTEOSA-N 1 2 342.399 0.108 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001046772765 763098782 /nfs/dbraw/zinc/09/87/82/763098782.db2.gz WRUCIWFCDUFYHJ-CQSZACIVSA-N 1 2 342.783 0.843 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001046772765 763098791 /nfs/dbraw/zinc/09/87/91/763098791.db2.gz WRUCIWFCDUFYHJ-CQSZACIVSA-N 1 2 342.783 0.843 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@@H](O)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001105971398 763118195 /nfs/dbraw/zinc/11/81/95/763118195.db2.gz YXCIOHASTKDLKA-OCCSQVGLSA-N 1 2 346.431 0.591 20 30 ECEDLO C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001046804382 763143028 /nfs/dbraw/zinc/14/30/28/763143028.db2.gz POJKUBUZYFTIFS-ZIAGYGMSSA-N 1 2 346.431 0.569 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@@H]3CCCOC3)C2)nn1 ZINC001098784348 768113907 /nfs/dbraw/zinc/11/39/07/768113907.db2.gz DEYFZDDOEQGPMF-RDJZCZTQSA-N 1 2 345.447 0.981 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]2O)C1 ZINC000991766234 763334827 /nfs/dbraw/zinc/33/48/27/763334827.db2.gz XVQWSBDHMXGDKG-UONOGXRCSA-N 1 2 332.404 0.317 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2C[NH+](CC(=O)N3CCOCC3)C2)cc1 ZINC001031892719 763360399 /nfs/dbraw/zinc/36/03/99/763360399.db2.gz PIADCKNCTHLUEW-UHFFFAOYSA-N 1 2 341.411 0.188 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2O)C1 ZINC000991773066 763378520 /nfs/dbraw/zinc/37/85/20/763378520.db2.gz UZJQMQGQNDBSMU-GJZGRUSLSA-N 1 2 346.431 0.397 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000940551068 763412240 /nfs/dbraw/zinc/41/22/40/763412240.db2.gz LCOKMZYFHIMZIC-CVEARBPZSA-N 1 2 343.431 0.006 20 30 ECEDLO C=CCn1cccc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)CCC1(F)F ZINC001046947090 763437783 /nfs/dbraw/zinc/43/77/83/763437783.db2.gz FLXIDYMWSZGUQP-LBPRGKRZSA-N 1 2 340.374 0.846 20 30 ECEDLO C=CCn1cccc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCC1(F)F ZINC001046947090 763437785 /nfs/dbraw/zinc/43/77/85/763437785.db2.gz FLXIDYMWSZGUQP-LBPRGKRZSA-N 1 2 340.374 0.846 20 30 ECEDLO C=CCN1CC[C@H](N2CC[NH+]([C@@H]3CCN(C(=O)C4CC4)C3)CC2)C1=O ZINC001051962294 763460145 /nfs/dbraw/zinc/46/01/45/763460145.db2.gz DAPFFZIDXIIRNU-SJORKVTESA-N 1 2 346.475 0.402 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCN([C@@H]3CCN(C(=O)C4CC4)C3)CC2)C1=O ZINC001051962294 763460150 /nfs/dbraw/zinc/46/01/50/763460150.db2.gz DAPFFZIDXIIRNU-SJORKVTESA-N 1 2 346.475 0.402 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001046974359 763494294 /nfs/dbraw/zinc/49/42/94/763494294.db2.gz KTUFUPQXKFMEBW-MXWKQRLJSA-N 1 2 335.782 0.934 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001046974359 763494300 /nfs/dbraw/zinc/49/43/00/763494300.db2.gz KTUFUPQXKFMEBW-MXWKQRLJSA-N 1 2 335.782 0.934 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)CCn3cccn3)C2)CC1 ZINC001051988460 763523559 /nfs/dbraw/zinc/52/35/59/763523559.db2.gz WEEDSKAKMFCPAJ-QGZVFWFLSA-N 1 2 329.448 0.515 20 30 ECEDLO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001046994868 763532679 /nfs/dbraw/zinc/53/26/79/763532679.db2.gz HMFXIKPIYRIENT-HUUCEWRRSA-N 1 2 343.418 0.804 20 30 ECEDLO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001046994868 763532685 /nfs/dbraw/zinc/53/26/85/763532685.db2.gz HMFXIKPIYRIENT-HUUCEWRRSA-N 1 2 343.418 0.804 20 30 ECEDLO CC#CCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001046994868 763532692 /nfs/dbraw/zinc/53/26/92/763532692.db2.gz HMFXIKPIYRIENT-HUUCEWRRSA-N 1 2 343.418 0.804 20 30 ECEDLO CC#CCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001046994868 763532697 /nfs/dbraw/zinc/53/26/97/763532697.db2.gz HMFXIKPIYRIENT-HUUCEWRRSA-N 1 2 343.418 0.804 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(CCc3cnn(C)c3)CC2)C1 ZINC001051997351 763547038 /nfs/dbraw/zinc/54/70/38/763547038.db2.gz AMMYXCMFXSOWAQ-NVXWUHKLSA-N 1 2 344.463 0.341 20 30 ECEDLO Cc1ncc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)o1 ZINC001051997781 763548342 /nfs/dbraw/zinc/54/83/42/763548342.db2.gz IEMWUIPSZGVOQU-DZGCQCFKSA-N 1 2 331.420 0.861 20 30 ECEDLO Cc1ncc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)o1 ZINC001051997783 763548374 /nfs/dbraw/zinc/54/83/74/763548374.db2.gz IEMWUIPSZGVOQU-UKRRQHHQSA-N 1 2 331.420 0.861 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(Cc3nccn3C)CC2)C1 ZINC001051997785 763549002 /nfs/dbraw/zinc/54/90/02/763549002.db2.gz IGZUXVXLPORWEE-CABCVRRESA-N 1 2 330.436 0.298 20 30 ECEDLO CCc1nnc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)o1 ZINC001051997828 763549263 /nfs/dbraw/zinc/54/92/63/763549263.db2.gz JFGUMWHSBJSDAS-KGLIPLIRSA-N 1 2 346.435 0.510 20 30 ECEDLO C=CCOc1ccccc1C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001014981171 763605209 /nfs/dbraw/zinc/60/52/09/763605209.db2.gz QCOTVDZEJRALGU-HIFRSBDPSA-N 1 2 329.400 0.944 20 30 ECEDLO C=CCOc1ccccc1C(=O)N[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001014981171 763605213 /nfs/dbraw/zinc/60/52/13/763605213.db2.gz QCOTVDZEJRALGU-HIFRSBDPSA-N 1 2 329.400 0.944 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]([NH+]2CCN(Cc3csnn3)CC2)C1 ZINC001052025463 763615703 /nfs/dbraw/zinc/61/57/03/763615703.db2.gz FFOFHZBWQGCBCN-INIZCTEOSA-N 1 2 345.472 0.670 20 30 ECEDLO Cc1nonc1CN1CC[NH+]([C@H]2CCN(C(=O)C#CC3CC3)C2)CC1 ZINC001052026943 763619786 /nfs/dbraw/zinc/61/97/86/763619786.db2.gz VNNYQRRQDWCABJ-INIZCTEOSA-N 1 2 343.431 0.510 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn(C4CCC4)nn3)C2)CC1 ZINC001052028486 763623617 /nfs/dbraw/zinc/62/36/17/763623617.db2.gz PVPVROMUJRMOKD-HNNXBMFYSA-N 1 2 343.435 0.359 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(OC)ncn3)C2)CC1 ZINC001052028956 763625395 /nfs/dbraw/zinc/62/53/95/763625395.db2.gz VFWRAAKAVSQYSC-AWEZNQCLSA-N 1 2 331.420 0.503 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)C2)CC1 ZINC001052033999 763638029 /nfs/dbraw/zinc/63/80/29/763638029.db2.gz YUGJBMLESNGOAG-IRXDYDNUSA-N 1 2 346.475 0.095 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C4CC4)n(C)n3)C2)CC1 ZINC001052035833 763644431 /nfs/dbraw/zinc/64/44/31/763644431.db2.gz QZEFPRFMYZAWMZ-MRXNPFEDSA-N 1 2 341.459 0.763 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc(C)nc3OC)C2)CC1 ZINC001052035781 763644553 /nfs/dbraw/zinc/64/45/53/763644553.db2.gz POCQOTQOESBJOC-OAHLLOKOSA-N 1 2 345.447 0.812 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc4n(n3)CCC4)C2)CC1 ZINC001052036018 763646799 /nfs/dbraw/zinc/64/67/99/763646799.db2.gz XCWXMSCJSVIFDU-KRWDZBQOSA-N 1 2 341.459 0.685 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)CC1 ZINC001052036037 763646834 /nfs/dbraw/zinc/64/68/34/763646834.db2.gz XJUFRRUBBVWGAW-JKSUJKDBSA-N 1 2 334.464 0.259 20 30 ECEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)c3c[nH]c(=O)cn3)C2)c1 ZINC001031933732 763657260 /nfs/dbraw/zinc/65/72/60/763657260.db2.gz KHFJKEUETSHURZ-UHFFFAOYSA-N 1 2 341.346 0.642 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnn(C(F)F)c3)C2)nn1 ZINC001098757343 763662532 /nfs/dbraw/zinc/66/25/32/763662532.db2.gz KJWZSLBDAFPXDB-CYBMUJFWSA-N 1 2 349.345 0.680 20 30 ECEDLO CC1(C)CC[C@@H](CNC(=O)Cc2cc[nH]n2)[N@H+](CC(=O)NCC#N)C1 ZINC001098993372 763673073 /nfs/dbraw/zinc/67/30/73/763673073.db2.gz NROZEICQVQXANJ-AWEZNQCLSA-N 1 2 346.435 0.199 20 30 ECEDLO CC1(C)CC[C@@H](CNC(=O)Cc2cc[nH]n2)[N@@H+](CC(=O)NCC#N)C1 ZINC001098993372 763673077 /nfs/dbraw/zinc/67/30/77/763673077.db2.gz NROZEICQVQXANJ-AWEZNQCLSA-N 1 2 346.435 0.199 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCc4cncn4C3)C2)CC1 ZINC001052044062 763676313 /nfs/dbraw/zinc/67/63/13/763676313.db2.gz BYJPLBKLEXIXIP-RDJZCZTQSA-N 1 2 342.447 0.188 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@@H]3CCCC(=O)N3)C2)CC1 ZINC001052050741 763708461 /nfs/dbraw/zinc/70/84/61/763708461.db2.gz YNEOXXFECWTUPK-DLBZAZTESA-N 1 2 346.475 0.287 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3cncnc3)C2)CC1 ZINC001052052059 763714372 /nfs/dbraw/zinc/71/43/72/763714372.db2.gz GYQWIIGIWGPIPW-GOSISDBHSA-N 1 2 341.459 0.651 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(Cc3cnn(C)n3)CC2)C1 ZINC001052063357 763749827 /nfs/dbraw/zinc/74/98/27/763749827.db2.gz UKFYZCGCAUHILG-INIZCTEOSA-N 1 2 346.479 0.746 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCCCC(=O)N3)C2)CC1 ZINC001052078726 763790753 /nfs/dbraw/zinc/79/07/53/763790753.db2.gz AGRBIBWXXRHJFC-DLBZAZTESA-N 1 2 346.475 0.287 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)CC1 ZINC001052086564 763815269 /nfs/dbraw/zinc/81/52/69/763815269.db2.gz VBYADFGMIBNHBL-MJBXVCDLSA-N 1 2 340.855 0.079 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@H](C2CC[NH+](Cc3nnnn3C)CC2)C1 ZINC001047226602 763816182 /nfs/dbraw/zinc/81/61/82/763816182.db2.gz RSCGUOLBARJNHE-HIFRSBDPSA-N 1 2 345.451 0.820 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc4cccnn34)C2)CC1 ZINC001052093065 763835557 /nfs/dbraw/zinc/83/55/57/763835557.db2.gz JVZIFBIFAZQNNN-OAHLLOKOSA-N 1 2 340.431 0.747 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C(F)F)C2)cc1C#N ZINC001047268508 763850134 /nfs/dbraw/zinc/85/01/34/763850134.db2.gz NQMIZIYLZSVRQY-STQMWFEESA-N 1 2 339.342 0.835 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C(F)F)C2)cc1C#N ZINC001047268508 763850144 /nfs/dbraw/zinc/85/01/44/763850144.db2.gz NQMIZIYLZSVRQY-STQMWFEESA-N 1 2 339.342 0.835 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc4nncn4c3)C2)CC1 ZINC001052097956 763851652 /nfs/dbraw/zinc/85/16/52/763851652.db2.gz ATBHMZTVHORBAG-HNNXBMFYSA-N 1 2 339.403 0.085 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnc(C)nc3C)C2)CC1 ZINC001052099403 763856938 /nfs/dbraw/zinc/85/69/38/763856938.db2.gz IKTHWZHAYJONTD-MRXNPFEDSA-N 1 2 327.432 0.559 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn(CC4CC4)nn3)C2)CC1 ZINC001052101933 763865354 /nfs/dbraw/zinc/86/53/54/763865354.db2.gz ALFHASLYXKYCIO-HNNXBMFYSA-N 1 2 343.435 0.044 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCN(C(=O)CC)C3)C2)CC1 ZINC001052105307 763875943 /nfs/dbraw/zinc/87/59/43/763875943.db2.gz HVVJZMIJRBTVNR-DLBZAZTESA-N 1 2 346.475 0.097 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc4c([nH]3)CCC4)C2)CC1 ZINC001052106951 763883382 /nfs/dbraw/zinc/88/33/82/763883382.db2.gz XRGJUICQNJSQHQ-INIZCTEOSA-N 1 2 326.444 0.969 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3csc(C)n3)C2)CC1 ZINC001052115121 763919028 /nfs/dbraw/zinc/91/90/28/763919028.db2.gz SZXTZNMCFLGFLR-INIZCTEOSA-N 1 2 332.473 0.846 20 30 ECEDLO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc4n[nH]nc4c3)C2)CC1 ZINC001052117323 763927065 /nfs/dbraw/zinc/92/70/65/763927065.db2.gz KPDFRYBQZIMLGI-OAHLLOKOSA-N 1 2 340.431 0.976 20 30 ECEDLO C=CCN1CC[C@@H](N2CC(NC(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1=O ZINC001030553192 763931178 /nfs/dbraw/zinc/93/11/78/763931178.db2.gz SKSUOHLUJGJLJR-DZGCQCFKSA-N 1 2 343.431 0.033 20 30 ECEDLO CCc1cc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)nn1C ZINC001052123389 763948803 /nfs/dbraw/zinc/94/88/03/763948803.db2.gz GSIKNEZWSQHTME-HNNXBMFYSA-N 1 2 330.436 0.338 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn(C)c3C3CC3)C2)CC1 ZINC001052123856 763951493 /nfs/dbraw/zinc/95/14/93/763951493.db2.gz RQMOFCWQURTRED-INIZCTEOSA-N 1 2 341.459 0.763 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1OC ZINC001212187119 763955630 /nfs/dbraw/zinc/95/56/30/763955630.db2.gz KGHRMXGEDMANCI-GVDBMIGSSA-N 1 2 349.475 0.864 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1OC ZINC001212187119 763955634 /nfs/dbraw/zinc/95/56/34/763955634.db2.gz KGHRMXGEDMANCI-GVDBMIGSSA-N 1 2 349.475 0.864 20 30 ECEDLO Cc1cc(C(=O)N(C)[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)n[nH]1 ZINC001047315684 763970619 /nfs/dbraw/zinc/97/06/19/763970619.db2.gz LPUWQUSIQAYANE-IRXDYDNUSA-N 1 2 339.399 0.907 20 30 ECEDLO Cc1cc(C(=O)N(C)[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)n[nH]1 ZINC001047315684 763970625 /nfs/dbraw/zinc/97/06/25/763970625.db2.gz LPUWQUSIQAYANE-IRXDYDNUSA-N 1 2 339.399 0.907 20 30 ECEDLO CN(C(=O)[C@H]1CCCOC1)[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047323784 763996788 /nfs/dbraw/zinc/99/67/88/763996788.db2.gz YEKWKWGDDLCKRL-BZSNNMDCSA-N 1 2 343.427 0.988 20 30 ECEDLO CN(C(=O)[C@H]1CCCOC1)[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047323784 763996795 /nfs/dbraw/zinc/99/67/95/763996795.db2.gz YEKWKWGDDLCKRL-BZSNNMDCSA-N 1 2 343.427 0.988 20 30 ECEDLO N#Cc1cnc(NC[C@H](O)CNC(=O)CCn2cc[nH+]c2)c(Cl)c1 ZINC001106037404 764018888 /nfs/dbraw/zinc/01/88/88/764018888.db2.gz CHDFYPHUNOKZID-GFCCVEGCSA-N 1 2 348.794 0.782 20 30 ECEDLO Cc1ncc(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)s1 ZINC001047353134 764087023 /nfs/dbraw/zinc/08/70/23/764087023.db2.gz ANHURGMLZXEHNL-GJZGRUSLSA-N 1 2 345.428 0.969 20 30 ECEDLO Cc1ncc(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)s1 ZINC001047353134 764087029 /nfs/dbraw/zinc/08/70/29/764087029.db2.gz ANHURGMLZXEHNL-GJZGRUSLSA-N 1 2 345.428 0.969 20 30 ECEDLO C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001052312643 764229724 /nfs/dbraw/zinc/22/97/24/764229724.db2.gz DHQQBRDTZUCBAD-WCQYABFASA-N 1 2 340.387 0.676 20 30 ECEDLO C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001052319558 764243518 /nfs/dbraw/zinc/24/35/18/764243518.db2.gz DHZGOXKSUJKVJR-GXTWGEPZSA-N 1 2 340.387 0.607 20 30 ECEDLO Cn1nnnc1C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001052320587 764245000 /nfs/dbraw/zinc/24/50/00/764245000.db2.gz SRFZCFYVSVGSHC-NSHDSACASA-N 1 2 328.380 0.194 20 30 ECEDLO Cn1nnnc1C[N@H+]1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001052320587 764245004 /nfs/dbraw/zinc/24/50/04/764245004.db2.gz SRFZCFYVSVGSHC-NSHDSACASA-N 1 2 328.380 0.194 20 30 ECEDLO CCN(CCNc1ccnc(C#N)n1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001106987696 764273912 /nfs/dbraw/zinc/27/39/12/764273912.db2.gz USPMOIOGOMHUCY-VXGBXAGGSA-N 1 2 325.376 0.557 20 30 ECEDLO CCN(CCNc1ccnc(C#N)n1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001106987696 764273913 /nfs/dbraw/zinc/27/39/13/764273913.db2.gz USPMOIOGOMHUCY-VXGBXAGGSA-N 1 2 325.376 0.557 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H](O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106066346 764275020 /nfs/dbraw/zinc/27/50/20/764275020.db2.gz BYYFJIGISDCRTR-YPMHNXCESA-N 1 2 336.440 0.737 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](O)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001106066554 764275945 /nfs/dbraw/zinc/27/59/45/764275945.db2.gz GXBNDFOBBCVPRY-KGLIPLIRSA-N 1 2 347.463 0.956 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](O)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106066554 764275952 /nfs/dbraw/zinc/27/59/52/764275952.db2.gz GXBNDFOBBCVPRY-KGLIPLIRSA-N 1 2 347.463 0.956 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C)n(C)n3)[C@@H]2C)nn1 ZINC001088907399 764419698 /nfs/dbraw/zinc/41/96/98/764419698.db2.gz QSMDDBRPOMBSHZ-HIFRSBDPSA-N 1 2 343.435 0.899 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C)n(C)n3)[C@@H]2C)nn1 ZINC001088907399 764419701 /nfs/dbraw/zinc/41/97/01/764419701.db2.gz QSMDDBRPOMBSHZ-HIFRSBDPSA-N 1 2 343.435 0.899 20 30 ECEDLO C[C@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]1CN(c1nccnc1C#N)C2 ZINC001052424562 764464593 /nfs/dbraw/zinc/46/45/93/764464593.db2.gz BSCNFRLRPGVMBR-YVEFUNNKSA-N 1 2 337.387 0.599 20 30 ECEDLO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)C[C@@H]2O)C1 ZINC001047519893 764575349 /nfs/dbraw/zinc/57/53/49/764575349.db2.gz WSXOJGJQJBHNHM-SNPRPXQTSA-N 1 2 335.448 0.513 20 30 ECEDLO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@@H+]([C@H](C)C(=O)NC3CC3)C[C@@H]2O)C1 ZINC001047519893 764575356 /nfs/dbraw/zinc/57/53/56/764575356.db2.gz WSXOJGJQJBHNHM-SNPRPXQTSA-N 1 2 335.448 0.513 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@H]1C ZINC001088960920 764626399 /nfs/dbraw/zinc/62/63/99/764626399.db2.gz HPDGBNKQPOZOAW-MNOVXSKESA-N 1 2 328.800 0.260 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@H]1C ZINC001088960920 764626406 /nfs/dbraw/zinc/62/64/06/764626406.db2.gz HPDGBNKQPOZOAW-MNOVXSKESA-N 1 2 328.800 0.260 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3cncn3C)C2)nn1 ZINC001098769121 764689700 /nfs/dbraw/zinc/68/97/00/764689700.db2.gz YLLPWBMEQOQBQI-HNNXBMFYSA-N 1 2 341.419 0.141 20 30 ECEDLO CN(C(=O)c1ccncn1)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047570029 764721889 /nfs/dbraw/zinc/72/18/89/764721889.db2.gz IKWICIXBGKXGRK-GJZGRUSLSA-N 1 2 343.412 0.727 20 30 ECEDLO CN(C(=O)c1ccncn1)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047570029 764721896 /nfs/dbraw/zinc/72/18/96/764721896.db2.gz IKWICIXBGKXGRK-GJZGRUSLSA-N 1 2 343.412 0.727 20 30 ECEDLO C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001052554019 764747145 /nfs/dbraw/zinc/74/71/45/764747145.db2.gz MXWMVMIZCLUYKL-HOCLYGCPSA-N 1 2 328.416 0.897 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H](C)[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001052597745 764824633 /nfs/dbraw/zinc/82/46/33/764824633.db2.gz ATAOFWNWTUZHCD-UONOGXRCSA-N 1 2 332.404 0.203 20 30 ECEDLO C#CCOCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001052598751 764826974 /nfs/dbraw/zinc/82/69/74/764826974.db2.gz IUIOHPNRQGODHY-HIFRSBDPSA-N 1 2 346.431 0.511 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@H+](Cc3cnn(C)c3)C[C@@H]2O)nc1 ZINC001047600629 764842431 /nfs/dbraw/zinc/84/24/31/764842431.db2.gz UGDYZXWJXGGZOU-IRXDYDNUSA-N 1 2 339.399 0.114 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@H]2O)nc1 ZINC001047600629 764842440 /nfs/dbraw/zinc/84/24/40/764842440.db2.gz UGDYZXWJXGGZOU-IRXDYDNUSA-N 1 2 339.399 0.114 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@H+](Cc3ccccn3)C[C@@H]2O)cn1 ZINC001047602008 764847419 /nfs/dbraw/zinc/84/74/19/764847419.db2.gz UZDYEEKISGWMLC-ROUUACIJSA-N 1 2 336.395 0.775 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2O)cn1 ZINC001047602008 764847427 /nfs/dbraw/zinc/84/74/27/764847427.db2.gz UZDYEEKISGWMLC-ROUUACIJSA-N 1 2 336.395 0.775 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ncnn2C)CC1 ZINC001052721272 765042167 /nfs/dbraw/zinc/04/21/67/765042167.db2.gz BSVHTIWLDPVIAI-ZNMIVQPWSA-N 1 2 333.436 0.877 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ncnn2C)CC1 ZINC001052721272 765042174 /nfs/dbraw/zinc/04/21/74/765042174.db2.gz BSVHTIWLDPVIAI-ZNMIVQPWSA-N 1 2 333.436 0.877 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000991980191 765042614 /nfs/dbraw/zinc/04/26/14/765042614.db2.gz WGDKGESDPVYONY-RDJZCZTQSA-N 1 2 346.431 0.661 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC001052724404 765044598 /nfs/dbraw/zinc/04/45/98/765044598.db2.gz ZZOPFULYSCHEHM-MJBXVCDLSA-N 1 2 349.435 0.170 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC001052724404 765044606 /nfs/dbraw/zinc/04/46/06/765044606.db2.gz ZZOPFULYSCHEHM-MJBXVCDLSA-N 1 2 349.435 0.170 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NCC2CC(NC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC000992008343 765138505 /nfs/dbraw/zinc/13/85/05/765138505.db2.gz ZTDACWBBSWNKBJ-UHFFFAOYSA-N 1 2 326.360 0.477 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000992074910 765386081 /nfs/dbraw/zinc/38/60/81/765386081.db2.gz RHHPZQGIGMFIEC-CABCVRRESA-N 1 2 332.404 0.581 20 30 ECEDLO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3nnc[nH]3)C2)cc1C#N ZINC001015871114 765472368 /nfs/dbraw/zinc/47/23/68/765472368.db2.gz HOBREMBDISIHTN-ZDUSSCGKSA-N 1 2 326.360 0.689 20 30 ECEDLO COc1ccc(C[N@H+]2CC[C@H](NC(=O)c3nnc[nH]3)C2)cc1C#N ZINC001015871114 765472373 /nfs/dbraw/zinc/47/23/73/765472373.db2.gz HOBREMBDISIHTN-ZDUSSCGKSA-N 1 2 326.360 0.689 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)Cc3nc[nH]n3)C2)c1 ZINC001015967373 765634177 /nfs/dbraw/zinc/63/41/77/765634177.db2.gz IRGGXRTYZJPWTC-ZDUSSCGKSA-N 1 2 328.351 0.749 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)Cc3nc[nH]n3)C2)c1 ZINC001015967373 765634181 /nfs/dbraw/zinc/63/41/81/765634181.db2.gz IRGGXRTYZJPWTC-ZDUSSCGKSA-N 1 2 328.351 0.749 20 30 ECEDLO C#CCOCCC(=O)N[C@H](C)CCNc1[nH+]cnc2c1cnn2C ZINC001106441809 768308363 /nfs/dbraw/zinc/30/83/63/768308363.db2.gz GBEBRISOMGJCAM-GFCCVEGCSA-N 1 2 330.392 0.710 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001015968977 765638975 /nfs/dbraw/zinc/63/89/75/765638975.db2.gz LVSUVVDAADZSIZ-ZDUSSCGKSA-N 1 2 332.404 0.539 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001015968977 765638980 /nfs/dbraw/zinc/63/89/80/765638980.db2.gz LVSUVVDAADZSIZ-ZDUSSCGKSA-N 1 2 332.404 0.539 20 30 ECEDLO C=CCCOCC(=O)NC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001053268147 765872235 /nfs/dbraw/zinc/87/22/35/765872235.db2.gz OMNDEWCRHDXARG-UONOGXRCSA-N 1 2 334.420 0.756 20 30 ECEDLO N#CCOc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3cnco3)[C@@H](O)C2)cc1 ZINC001083681908 765883128 /nfs/dbraw/zinc/88/31/28/765883128.db2.gz ZQILAFGXYYOZFH-CABCVRRESA-N 1 2 342.355 0.552 20 30 ECEDLO N#CCOc1ccc(C[N@H+]2C[C@@H](NC(=O)c3cnco3)[C@@H](O)C2)cc1 ZINC001083681908 765883138 /nfs/dbraw/zinc/88/31/38/765883138.db2.gz ZQILAFGXYYOZFH-CABCVRRESA-N 1 2 342.355 0.552 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCc3nccn3C1)CCO2 ZINC001053313984 765953748 /nfs/dbraw/zinc/95/37/48/765953748.db2.gz JCOUCVRDEQCGIQ-OAHLLOKOSA-N 1 2 330.432 0.935 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cccc3ncnn31)CCO2 ZINC001053329157 765983556 /nfs/dbraw/zinc/98/35/56/765983556.db2.gz QZALTHPMBXGAAD-UHFFFAOYSA-N 1 2 327.388 0.832 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cn1ncc3cccnc31)CCO2 ZINC001053343514 766005929 /nfs/dbraw/zinc/00/59/29/766005929.db2.gz PQHAUUBTZVWJLN-UHFFFAOYSA-N 1 2 341.415 0.921 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2CC(NC(=O)Cn3cc[nH+]c3)C2)nc1 ZINC000992262521 766093397 /nfs/dbraw/zinc/09/33/97/766093397.db2.gz GZKFGVUCQPEHCZ-UHFFFAOYSA-N 1 2 337.383 0.584 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@H](C)N1CCCC1=O)CCO2 ZINC001053506818 766255589 /nfs/dbraw/zinc/25/55/89/766255589.db2.gz RALVCLHACXFXSL-HNNXBMFYSA-N 1 2 335.448 0.877 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc(N(C)C)nn1)CCO2 ZINC001053510806 766262898 /nfs/dbraw/zinc/26/28/98/766262898.db2.gz CDWIOUUGSOMUQY-UHFFFAOYSA-N 1 2 331.420 0.646 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001045777212 766357939 /nfs/dbraw/zinc/35/79/39/766357939.db2.gz GAQVRPPBQUTQLC-KRWDZBQOSA-N 1 2 348.447 0.645 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC2(C[NH+](CCOC)C2)O1 ZINC001053600684 766408784 /nfs/dbraw/zinc/40/87/84/766408784.db2.gz PCWYKDDBHGSFQT-OAGGEKHMSA-N 1 2 338.448 0.964 20 30 ECEDLO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccc3n[nH]nc31)O2 ZINC001053604468 766414018 /nfs/dbraw/zinc/41/40/18/766414018.db2.gz HBIFLSRXTRZGSA-ZDUSSCGKSA-N 1 2 339.399 0.944 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CC(=O)N(C(C)C)C1)O2 ZINC001053604396 766414456 /nfs/dbraw/zinc/41/44/56/766414456.db2.gz DZIWVCSLTALHDQ-LSDHHAIUSA-N 1 2 335.448 0.779 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1nc3ncc(C)cn3n1)O2 ZINC001053616323 766441741 /nfs/dbraw/zinc/44/17/41/766441741.db2.gz ZLECQMUAVZWUFY-CYBMUJFWSA-N 1 2 342.403 0.582 20 30 ECEDLO N#CCN1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCn3cc[nH+]c3C1)O2 ZINC001053618938 766446705 /nfs/dbraw/zinc/44/67/05/766446705.db2.gz GLRABSQJJCBKFL-UONOGXRCSA-N 1 2 329.404 0.319 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(C(N)=O)[nH]1)O2 ZINC001053660766 766532377 /nfs/dbraw/zinc/53/23/77/766532377.db2.gz PGWBIHGZZCISKI-LBPRGKRZSA-N 1 2 332.404 0.653 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c(C)nn(C)c1OC)O2 ZINC001053671260 766551210 /nfs/dbraw/zinc/55/12/10/766551210.db2.gz FILHSZLCOUYPKX-ZDUSSCGKSA-N 1 2 334.420 0.886 20 30 ECEDLO C[C@@H](CC(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F)n1cc[nH+]c1 ZINC001106132067 766603674 /nfs/dbraw/zinc/60/36/74/766603674.db2.gz RGMGVCSBJMZERC-WCQYABFASA-N 1 2 346.366 0.829 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1noc3c1COCC3)O2 ZINC001053699567 766617177 /nfs/dbraw/zinc/61/71/77/766617177.db2.gz GJCJXFRCNUCQPE-GFCCVEGCSA-N 1 2 333.388 0.897 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCN([C@H]2CC[N@H+](Cc3ncccn3)C2)CC1 ZINC001046012465 766639763 /nfs/dbraw/zinc/63/97/63/766639763.db2.gz OLDGCBQRBBARLG-CABCVRRESA-N 1 2 328.420 0.355 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ncccn3)C2)CC1 ZINC001046012465 766639769 /nfs/dbraw/zinc/63/97/69/766639769.db2.gz OLDGCBQRBBARLG-CABCVRRESA-N 1 2 328.420 0.355 20 30 ECEDLO CC(C)c1cc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)nn1C ZINC001046028327 766689862 /nfs/dbraw/zinc/68/98/62/766689862.db2.gz ZHFTYZXPIVDHSI-HNNXBMFYSA-N 1 2 344.463 0.899 20 30 ECEDLO Cn1nc(C2CC2)cc1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046033596 766709769 /nfs/dbraw/zinc/70/97/69/766709769.db2.gz ISENQTHEQZCBEZ-HNNXBMFYSA-N 1 2 342.447 0.653 20 30 ECEDLO CC(C)(C)n1cc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)cn1 ZINC001046040533 766748327 /nfs/dbraw/zinc/74/83/27/766748327.db2.gz DIMOIOJDYNDJQL-MRXNPFEDSA-N 1 2 344.463 0.994 20 30 ECEDLO Cn1c(Cl)ncc1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046043288 766760489 /nfs/dbraw/zinc/76/04/89/766760489.db2.gz APCAEJJKUWTTBP-LBPRGKRZSA-N 1 2 336.827 0.429 20 30 ECEDLO CCc1cncc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)c1 ZINC001046043310 766760816 /nfs/dbraw/zinc/76/08/16/766760816.db2.gz BPEUWOCNPMTKOP-QGZVFWFLSA-N 1 2 327.432 1.000 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)C1 ZINC001046043262 766760964 /nfs/dbraw/zinc/76/09/64/766760964.db2.gz ZYSUITINEWJTBQ-ZDUSSCGKSA-N 1 2 328.420 0.254 20 30 ECEDLO Cc1noc(CCC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)n1 ZINC001046048787 766781823 /nfs/dbraw/zinc/78/18/23/766781823.db2.gz CMKAFKLMVYPREI-CQSZACIVSA-N 1 2 332.408 0.053 20 30 ECEDLO Cc1ccn([C@@H](C)CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)n1 ZINC001046050652 766788006 /nfs/dbraw/zinc/78/80/06/766788006.db2.gz MZZSPOWVKYXMGC-DLBZAZTESA-N 1 2 344.463 0.885 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3ccc4nncn4c3)CC2)C1 ZINC001046069249 766867424 /nfs/dbraw/zinc/86/74/24/766867424.db2.gz FJSZCAZMYVGOCI-OAHLLOKOSA-N 1 2 339.403 0.085 20 30 ECEDLO CN(C(=O)Cc1c[nH+]cn1C)C1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001016765777 766878425 /nfs/dbraw/zinc/87/84/25/766878425.db2.gz HXXOKCWVLIULGU-UHFFFAOYSA-N 1 2 340.387 0.582 20 30 ECEDLO C[C@@H](CC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1)n1cccn1 ZINC001046075383 766894396 /nfs/dbraw/zinc/89/43/96/766894396.db2.gz RWEBCVRGGGJHDE-HOTGVXAUSA-N 1 2 330.436 0.576 20 30 ECEDLO C[C@@H](CC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1)n1cccn1 ZINC001046075385 766894416 /nfs/dbraw/zinc/89/44/16/766894416.db2.gz RWEBCVRGGGJHDE-JKSUJKDBSA-N 1 2 330.436 0.576 20 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FBQKIOVXOUUFSY-ZDUSSCGKSA-N 1 2 342.399 0.853 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@H]1CCn3c[nH+]cc3C1)C2 ZINC001019366252 771210773 /nfs/dbraw/zinc/21/07/73/771210773.db2.gz BCKZFPSDLPHBDW-KBPBESRZSA-N 1 2 341.415 0.666 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001019367187 771212045 /nfs/dbraw/zinc/21/20/45/771212045.db2.gz RYAOPANKLKJHRC-KBPBESRZSA-N 1 2 341.415 0.666 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056402628 771229062 /nfs/dbraw/zinc/22/90/62/771229062.db2.gz QUQXASBGXBVVRS-ILXRZTDVSA-N 1 2 344.415 0.582 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nc(COC)no2)C1 ZINC001019406024 771259792 /nfs/dbraw/zinc/25/97/92/771259792.db2.gz ZINFZWHPUYPTJZ-XQQFMLRXSA-N 1 2 336.392 0.498 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]([NH2+][C@@H](C)c3nc(C)no3)C2)nn1 ZINC001019482537 771345946 /nfs/dbraw/zinc/34/59/46/771345946.db2.gz YYPVUBGDXFNTRS-JQWIXIFHSA-N 1 2 331.380 0.721 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C#CC(C)C)[C@H](OC)C2)C1=O ZINC001212241110 771363775 /nfs/dbraw/zinc/36/37/75/771363775.db2.gz LDHCWTJDRHMORF-BZUAXINKSA-N 1 2 333.432 0.248 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C#CC(C)C)[C@H](OC)C2)C1=O ZINC001212241110 771363781 /nfs/dbraw/zinc/36/37/81/771363781.db2.gz LDHCWTJDRHMORF-BZUAXINKSA-N 1 2 333.432 0.248 20 30 ECEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CN(c2[nH+]cnc3c2cnn3C)CCCO1 ZINC001089529421 771407346 /nfs/dbraw/zinc/40/73/46/771407346.db2.gz JPSGPAZZCNIVFG-NWDGAFQWSA-N 1 2 343.391 0.234 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CN(c2cc[nH+]c(C)n2)CCCO1 ZINC001089536395 771412358 /nfs/dbraw/zinc/41/23/58/771412358.db2.gz FZNSQUDFHVHYHQ-RHSMWYFYSA-N 1 2 334.420 0.824 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001056637278 771454833 /nfs/dbraw/zinc/45/48/33/771454833.db2.gz SRWNYXFJNBOJJU-GVDBMIGSSA-N 1 2 347.459 0.426 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001056637278 771454836 /nfs/dbraw/zinc/45/48/36/771454836.db2.gz SRWNYXFJNBOJJU-GVDBMIGSSA-N 1 2 347.459 0.426 20 30 ECEDLO N#Cc1cnccc1N1CCCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001089558401 771482111 /nfs/dbraw/zinc/48/21/11/771482111.db2.gz NMXGITUULFFJLQ-HNNXBMFYSA-N 1 2 340.387 0.631 20 30 ECEDLO N#Cc1ccc(N2CCCO[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)cn1 ZINC001089558112 771487344 /nfs/dbraw/zinc/48/73/44/771487344.db2.gz JADMIVSGPQTSBD-MRXNPFEDSA-N 1 2 340.387 0.631 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C(C)=C2CCC2)[C@H](OC)C1 ZINC001212244186 771502505 /nfs/dbraw/zinc/50/25/05/771502505.db2.gz IPBFPWQLBCSSMB-NUEKZKHPSA-N 1 2 335.448 0.993 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)=C2CCC2)[C@H](OC)C1 ZINC001212244186 771502507 /nfs/dbraw/zinc/50/25/07/771502507.db2.gz IPBFPWQLBCSSMB-NUEKZKHPSA-N 1 2 335.448 0.993 20 30 ECEDLO N#Cc1cnccc1N[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001056725908 771560872 /nfs/dbraw/zinc/56/08/72/771560872.db2.gz KBAYURIFRDHEOG-UKRRQHHQSA-N 1 2 336.399 0.847 20 30 ECEDLO N#Cc1cncc(N[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)n1 ZINC001056727241 771562425 /nfs/dbraw/zinc/56/24/25/771562425.db2.gz QSUIBEOSZOSUGS-QWHCGFSZSA-N 1 2 337.387 0.820 20 30 ECEDLO CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001056942094 771840025 /nfs/dbraw/zinc/84/00/25/771840025.db2.gz PPZVYZDSTSHHJT-GFCCVEGCSA-N 1 2 325.376 0.362 20 30 ECEDLO CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001056953143 771858568 /nfs/dbraw/zinc/85/85/68/771858568.db2.gz XSZSUUFGTAVQQU-HNNXBMFYSA-N 1 2 339.403 0.752 20 30 ECEDLO CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)C3CCS(=O)(=O)CC3)C[C@H]21 ZINC001042254995 782990308 /nfs/dbraw/zinc/99/03/08/782990308.db2.gz PQTLBKRHKFNWIP-GOEBONIOSA-N 1 2 338.473 0.757 20 30 ECEDLO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)C3CCS(=O)(=O)CC3)C[C@H]21 ZINC001042254995 782990314 /nfs/dbraw/zinc/99/03/14/782990314.db2.gz PQTLBKRHKFNWIP-GOEBONIOSA-N 1 2 338.473 0.757 20 30 ECEDLO C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001057172663 772213221 /nfs/dbraw/zinc/21/32/21/772213221.db2.gz MNZUWWSNKKKMTQ-AWEZNQCLSA-N 1 2 334.420 0.349 20 30 ECEDLO CC(C)(C)C#CC(=O)N(CCO)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001057540204 772735108 /nfs/dbraw/zinc/73/51/08/772735108.db2.gz KRCCFYAJZJWTDC-UHFFFAOYSA-N 1 2 334.420 0.329 20 30 ECEDLO CC(C)(C)C#CC(=O)N(CCO)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001057540204 772735112 /nfs/dbraw/zinc/73/51/12/772735112.db2.gz KRCCFYAJZJWTDC-UHFFFAOYSA-N 1 2 334.420 0.329 20 30 ECEDLO N#Cc1nccnc1NCC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001057545102 772741069 /nfs/dbraw/zinc/74/10/69/772741069.db2.gz MWEOSSVQMVMSPP-UHFFFAOYSA-N 1 2 325.376 0.965 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N(CCO)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001057692522 772916779 /nfs/dbraw/zinc/91/67/79/772916779.db2.gz JFEMTKFUERSRKN-UHFFFAOYSA-N 1 2 342.827 0.668 20 30 ECEDLO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)Cc1c[nH+]ccc1OC ZINC001057971986 773313353 /nfs/dbraw/zinc/31/33/53/773313353.db2.gz LLHKRFHTMWPSND-UHFFFAOYSA-N 1 2 349.431 0.782 20 30 ECEDLO C=CCCC(=O)NCCN(CCO)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001057972291 773313728 /nfs/dbraw/zinc/31/37/28/773313728.db2.gz WQCIOMINACFBEQ-UHFFFAOYSA-N 1 2 336.436 0.830 20 30 ECEDLO C=C1CC(C)(C(=O)NCCN(CCO)C(=O)Cc2c[nH+]cn2C)C1 ZINC001058158302 773661323 /nfs/dbraw/zinc/66/13/23/773661323.db2.gz VMWMLCOZRCMHED-UHFFFAOYSA-N 1 2 334.420 0.256 20 30 ECEDLO C#CCC1(C(=O)NCCN(CCO)C(=O)CCn2cc[nH+]c2)CCC1 ZINC001058200889 773758852 /nfs/dbraw/zinc/75/88/52/773758852.db2.gz ZENTVMVJUGOQTN-UHFFFAOYSA-N 1 2 346.431 0.404 20 30 ECEDLO C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)CCn1cc[nH+]c1 ZINC001058200864 773759303 /nfs/dbraw/zinc/75/93/03/773759303.db2.gz YCUWRCRZKWLKHE-UHFFFAOYSA-N 1 2 336.436 0.813 20 30 ECEDLO C#Cc1ccc(C(=O)N(CCO)CCNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001058273410 773900235 /nfs/dbraw/zinc/90/02/35/773900235.db2.gz KKBPNQBBRCJXFK-UHFFFAOYSA-N 1 2 340.383 0.184 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001058435083 774173698 /nfs/dbraw/zinc/17/36/98/774173698.db2.gz DKMOZRYNPXBRTQ-KBPBESRZSA-N 1 2 336.436 0.738 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)Cc1c[nH+]cn1C ZINC001058436230 774176679 /nfs/dbraw/zinc/17/66/79/774176679.db2.gz YRBJEAHJZZSACE-KGLIPLIRSA-N 1 2 336.436 0.358 20 30 ECEDLO CC#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001058444081 774193553 /nfs/dbraw/zinc/19/35/53/774193553.db2.gz BNNZEISMDRSILG-HUUCEWRRSA-N 1 2 346.431 0.644 20 30 ECEDLO CC#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001058444081 774193556 /nfs/dbraw/zinc/19/35/56/774193556.db2.gz BNNZEISMDRSILG-HUUCEWRRSA-N 1 2 346.431 0.644 20 30 ECEDLO N#Cc1nccnc1N1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001058481215 774272478 /nfs/dbraw/zinc/27/24/78/774272478.db2.gz MBKLFUCQMGREEI-STQMWFEESA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1cncc(N2CC[C@H](NC(=O)[C@H]3CCc4c[nH+]cn4C3)C2)n1 ZINC001058481671 774273707 /nfs/dbraw/zinc/27/37/07/774273707.db2.gz XFNYOYUIAUGXET-STQMWFEESA-N 1 2 337.387 0.502 20 30 ECEDLO C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001039830429 783167068 /nfs/dbraw/zinc/16/70/68/783167068.db2.gz GYJXLMUWMOICCN-DYVFJYSZSA-N 1 2 334.420 0.634 20 30 ECEDLO C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001039830429 783167074 /nfs/dbraw/zinc/16/70/74/783167074.db2.gz GYJXLMUWMOICCN-DYVFJYSZSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001044979209 774792282 /nfs/dbraw/zinc/79/22/82/774792282.db2.gz DDUOKDARLRSDRQ-UONOGXRCSA-N 1 2 348.447 0.500 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001044979155 774792468 /nfs/dbraw/zinc/79/24/68/774792468.db2.gz COBTZFIFYCMCPP-QWHCGFSZSA-N 1 2 334.420 0.490 20 30 ECEDLO C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1CNc1ccnc(C#N)n1 ZINC001039870683 783209092 /nfs/dbraw/zinc/20/90/92/783209092.db2.gz ISEIGNOKYRGMBK-ZIAGYGMSSA-N 1 2 339.403 0.563 20 30 ECEDLO C=CCCC1(C(=O)N2CC(O)(CNC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001045281489 775309807 /nfs/dbraw/zinc/30/98/07/775309807.db2.gz KQBDRKXJYCXKDR-UHFFFAOYSA-N 1 2 332.404 0.388 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2cccnc2C)[C@@H](n2ccnn2)C1 ZINC001070025646 790370138 /nfs/dbraw/zinc/37/01/38/790370138.db2.gz BSQVNCDKPWRMKU-SJORKVTESA-N 1 2 338.415 0.589 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2cccnc2C)[C@@H](n2ccnn2)C1 ZINC001070025646 790370150 /nfs/dbraw/zinc/37/01/50/790370150.db2.gz BSQVNCDKPWRMKU-SJORKVTESA-N 1 2 338.415 0.589 20 30 ECEDLO C=CCN1CC[C@@H](N2CC(N(C)C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1=O ZINC001044188715 775882164 /nfs/dbraw/zinc/88/21/64/775882164.db2.gz MUKRWHBZEGVIBI-CQSZACIVSA-N 1 2 345.447 0.617 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001044323689 776154446 /nfs/dbraw/zinc/15/44/46/776154446.db2.gz QZCBSVCEXZVYCE-NWDGAFQWSA-N 1 2 334.420 0.408 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cn(CC)nc2C)[C@@H](n2ccnn2)C1 ZINC001070040698 790422437 /nfs/dbraw/zinc/42/24/37/790422437.db2.gz BEKXLZXSMKYDDJ-CVEARBPZSA-N 1 2 341.419 0.482 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cn(CC)nc2C)[C@@H](n2ccnn2)C1 ZINC001070040698 790422439 /nfs/dbraw/zinc/42/24/39/790422439.db2.gz BEKXLZXSMKYDDJ-CVEARBPZSA-N 1 2 341.419 0.482 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)cc3c[nH]nc32)[C@@H](n2ccnn2)C1 ZINC001070052912 790460459 /nfs/dbraw/zinc/46/04/59/790460459.db2.gz SEBHDBBXCRSIFU-CVEARBPZSA-N 1 2 349.398 0.751 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)cc3c[nH]nc32)[C@@H](n2ccnn2)C1 ZINC001070052912 790460461 /nfs/dbraw/zinc/46/04/61/790460461.db2.gz SEBHDBBXCRSIFU-CVEARBPZSA-N 1 2 349.398 0.751 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001079687217 776685498 /nfs/dbraw/zinc/68/54/98/776685498.db2.gz QJCCZUBBLQAVDG-GOSISDBHSA-N 1 2 348.447 0.739 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2nnn(C(C)C)c2C)[C@@H](n2ccnn2)C1 ZINC001070065952 790491871 /nfs/dbraw/zinc/49/18/71/790491871.db2.gz LXJRBUGJYCQEBN-KGLIPLIRSA-N 1 2 344.423 0.600 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2nnn(C(C)C)c2C)[C@@H](n2ccnn2)C1 ZINC001070065952 790491878 /nfs/dbraw/zinc/49/18/78/790491878.db2.gz LXJRBUGJYCQEBN-KGLIPLIRSA-N 1 2 344.423 0.600 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@]2(C)CCCOC2)[C@@H](n2ccnn2)C1 ZINC001070065684 790491923 /nfs/dbraw/zinc/49/19/23/790491923.db2.gz DGAVOCVSWCBXMN-VYDXJSESSA-N 1 2 331.420 0.460 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@]2(C)CCCOC2)[C@@H](n2ccnn2)C1 ZINC001070065684 790491927 /nfs/dbraw/zinc/49/19/27/790491927.db2.gz DGAVOCVSWCBXMN-VYDXJSESSA-N 1 2 331.420 0.460 20 30 ECEDLO C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001079855349 776985297 /nfs/dbraw/zinc/98/52/97/776985297.db2.gz WHXQMXNQGMWMOY-AWEZNQCLSA-N 1 2 346.431 0.688 20 30 ECEDLO C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001079855349 776985301 /nfs/dbraw/zinc/98/53/01/776985301.db2.gz 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343.427 0.958 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H]3OCC[N@@H+](CCCO)[C@@H]3C2)c1 ZINC001074335946 786699136 /nfs/dbraw/zinc/69/91/36/786699136.db2.gz HSJXNPONSZZNCQ-IAGOWNOFSA-N 1 2 329.400 0.361 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H]3OCC[N@H+](CCCO)[C@@H]3C2)c1 ZINC001074335946 786699140 /nfs/dbraw/zinc/69/91/40/786699140.db2.gz HSJXNPONSZZNCQ-IAGOWNOFSA-N 1 2 329.400 0.361 20 30 ECEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)co3)C[C@@H]21 ZINC001074339215 786705267 /nfs/dbraw/zinc/70/52/67/786705267.db2.gz RLFFJNHYQBXXJG-KBPBESRZSA-N 1 2 333.388 0.870 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)co3)C[C@@H]21 ZINC001074339215 786705272 /nfs/dbraw/zinc/70/52/72/786705272.db2.gz RLFFJNHYQBXXJG-KBPBESRZSA-N 1 2 333.388 0.870 20 30 ECEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)co3)C[C@@H]21 ZINC001074339219 786705484 /nfs/dbraw/zinc/70/54/84/786705484.db2.gz RLFFJNHYQBXXJG-UONOGXRCSA-N 1 2 333.388 0.870 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)co3)C[C@@H]21 ZINC001074339219 786705490 /nfs/dbraw/zinc/70/54/90/786705490.db2.gz RLFFJNHYQBXXJG-UONOGXRCSA-N 1 2 333.388 0.870 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)COC3CCOCC3)C[C@@H]21 ZINC001074347794 786725971 /nfs/dbraw/zinc/72/59/71/786725971.db2.gz AZLMSVWOEYVVFP-IRXDYDNUSA-N 1 2 336.432 0.507 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)COC3CCOCC3)C[C@@H]21 ZINC001074347794 786725975 /nfs/dbraw/zinc/72/59/75/786725975.db2.gz AZLMSVWOEYVVFP-IRXDYDNUSA-N 1 2 336.432 0.507 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)COC3CCOCC3)C[C@H]21 ZINC001074347793 786726326 /nfs/dbraw/zinc/72/63/26/786726326.db2.gz AZLMSVWOEYVVFP-IAGOWNOFSA-N 1 2 336.432 0.507 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)COC3CCOCC3)C[C@H]21 ZINC001074347793 786726332 /nfs/dbraw/zinc/72/63/32/786726332.db2.gz AZLMSVWOEYVVFP-IAGOWNOFSA-N 1 2 336.432 0.507 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3c(C)nn(C)c3OC)C[C@H]21 ZINC001074348944 786729682 /nfs/dbraw/zinc/72/96/82/786729682.db2.gz UUSFKCWUUXGHNF-CABCVRRESA-N 1 2 346.431 0.676 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3c(C)nn(C)c3OC)C[C@H]21 ZINC001074348944 786729685 /nfs/dbraw/zinc/72/96/85/786729685.db2.gz UUSFKCWUUXGHNF-CABCVRRESA-N 1 2 346.431 0.676 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@H]3OCC[N@@H+](CCOC)[C@H]3C2)nn1 ZINC001074353392 786737403 /nfs/dbraw/zinc/73/74/03/786737403.db2.gz DQQQITGLMCMMCD-JKSUJKDBSA-N 1 2 349.435 0.416 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@H]3OCC[N@H+](CCOC)[C@H]3C2)nn1 ZINC001074353392 786737407 /nfs/dbraw/zinc/73/74/07/786737407.db2.gz DQQQITGLMCMMCD-JKSUJKDBSA-N 1 2 349.435 0.416 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)Cn3nnnc3C(C)C)C[C@H]21 ZINC001074354131 786738702 /nfs/dbraw/zinc/73/87/02/786738702.db2.gz LIZWSTJJJAVKSM-CABCVRRESA-N 1 2 348.451 0.674 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3nnnc3C(C)C)C[C@H]21 ZINC001074354131 786738706 /nfs/dbraw/zinc/73/87/06/786738706.db2.gz LIZWSTJJJAVKSM-CABCVRRESA-N 1 2 348.451 0.674 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 ZINC001074361277 786755288 /nfs/dbraw/zinc/75/52/88/786755288.db2.gz ZMXFUNRDEZTAGH-DLBZAZTESA-N 1 2 337.464 0.587 20 30 ECEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 ZINC001074361277 786755296 /nfs/dbraw/zinc/75/52/96/786755296.db2.gz ZMXFUNRDEZTAGH-DLBZAZTESA-N 1 2 337.464 0.587 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)N3CCOCC3)C[C@H]21 ZINC001074363908 786762149 /nfs/dbraw/zinc/76/21/49/786762149.db2.gz QPVUMXODUUAQQZ-SJORKVTESA-N 1 2 349.475 0.422 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)N3CCOCC3)C[C@H]21 ZINC001074363908 786762154 /nfs/dbraw/zinc/76/21/54/786762154.db2.gz QPVUMXODUUAQQZ-SJORKVTESA-N 1 2 349.475 0.422 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3cnccn3)C[C@@H]21 ZINC001074373968 786789207 /nfs/dbraw/zinc/78/92/07/786789207.db2.gz BBSNWVKQNFZKTF-DLBZAZTESA-N 1 2 328.416 0.734 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3cnccn3)C[C@@H]21 ZINC001074373968 786789211 /nfs/dbraw/zinc/78/92/11/786789211.db2.gz BBSNWVKQNFZKTF-DLBZAZTESA-N 1 2 328.416 0.734 20 30 ECEDLO C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC001073631852 786820773 /nfs/dbraw/zinc/82/07/73/786820773.db2.gz URIMWWVVMPTMKE-KGLIPLIRSA-N 1 2 330.450 0.347 20 30 ECEDLO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC001073631852 786820780 /nfs/dbraw/zinc/82/07/80/786820780.db2.gz URIMWWVVMPTMKE-KGLIPLIRSA-N 1 2 330.450 0.347 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C3CCN(C(N)=O)CC3)C[C@H]21 ZINC001074402034 786863545 /nfs/dbraw/zinc/86/35/45/786863545.db2.gz CDBSTFCWXKYZRI-CVEARBPZSA-N 1 2 348.447 0.102 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3CCN(C(N)=O)CC3)C[C@H]21 ZINC001074402034 786863556 /nfs/dbraw/zinc/86/35/56/786863556.db2.gz CDBSTFCWXKYZRI-CVEARBPZSA-N 1 2 348.447 0.102 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001073729399 787074887 /nfs/dbraw/zinc/07/48/87/787074887.db2.gz KREMSSXDKFLWBV-NSHDSACASA-N 1 2 328.800 0.699 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001073729399 787074889 /nfs/dbraw/zinc/07/48/89/787074889.db2.gz KREMSSXDKFLWBV-NSHDSACASA-N 1 2 328.800 0.699 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CCC(O)(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001074589413 787339189 /nfs/dbraw/zinc/33/91/89/787339189.db2.gz HBBHNZNLOXNIPS-UHFFFAOYSA-N 1 2 348.447 0.955 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001073880755 787426815 /nfs/dbraw/zinc/42/68/15/787426815.db2.gz RVPZMYGUHBRRKM-LBPRGKRZSA-N 1 2 340.811 0.354 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001073880755 787426819 /nfs/dbraw/zinc/42/68/19/787426819.db2.gz RVPZMYGUHBRRKM-LBPRGKRZSA-N 1 2 340.811 0.354 20 30 ECEDLO C=CC(C)(C)CC(=O)NCC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001074632212 787454889 /nfs/dbraw/zinc/45/48/89/787454889.db2.gz YSBBPBILLITUTD-UHFFFAOYSA-N 1 2 348.447 0.955 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001073927007 787538977 /nfs/dbraw/zinc/53/89/77/787538977.db2.gz NMKHYNIUQSJXKI-HUUCEWRRSA-N 1 2 346.431 0.735 20 30 ECEDLO CC(C)C#CC(=O)N1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC001074080861 787831009 /nfs/dbraw/zinc/83/10/09/787831009.db2.gz YVUDUJURZGHOGN-HOCLYGCPSA-N 1 2 330.432 0.975 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)CC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001074085514 787843942 /nfs/dbraw/zinc/84/39/42/787843942.db2.gz VNBDQMRSZCXLCK-ZIAGYGMSSA-N 1 2 349.460 0.883 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC001074090009 787854267 /nfs/dbraw/zinc/85/42/67/787854267.db2.gz KUCAGSVBLHOWGR-GXTWGEPZSA-N 1 2 334.420 0.816 20 30 ECEDLO C=CCOCCCC(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001072603209 788409978 /nfs/dbraw/zinc/40/99/78/788409978.db2.gz OUJJRWFSCOGEMJ-UONOGXRCSA-N 1 2 334.420 0.898 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001075038608 788778920 /nfs/dbraw/zinc/77/89/20/788778920.db2.gz JMJYPLVGOQKSEH-GJZGRUSLSA-N 1 2 346.431 0.878 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001075038608 788778929 /nfs/dbraw/zinc/77/89/29/788778929.db2.gz JMJYPLVGOQKSEH-GJZGRUSLSA-N 1 2 346.431 0.878 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001075211710 789069600 /nfs/dbraw/zinc/06/96/00/789069600.db2.gz ZVUHAVHNFVGAGB-KGLIPLIRSA-N 1 2 332.404 0.488 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001073215059 789617309 /nfs/dbraw/zinc/61/73/09/789617309.db2.gz FSPONBBZGACFQN-KRWDZBQOSA-N 1 2 334.420 0.777 20 30 ECEDLO CS(=O)(=O)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC001075658548 789624356 /nfs/dbraw/zinc/62/43/56/789624356.db2.gz HNBMNRAZFWYSSQ-GXTWGEPZSA-N 1 2 336.417 0.077 20 30 ECEDLO CS(=O)(=O)CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC001075658548 789624360 /nfs/dbraw/zinc/62/43/60/789624360.db2.gz HNBMNRAZFWYSSQ-GXTWGEPZSA-N 1 2 336.417 0.077 20 30 ECEDLO N#Cc1nccnc1N1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC001069268348 789719698 /nfs/dbraw/zinc/71/96/98/789719698.db2.gz FFRYNVLVRHDSMB-WMLDXEAASA-N 1 2 337.387 0.863 20 30 ECEDLO N#Cc1cnc(N2CC[C@@]3(NC(=O)Cc4c[nH]c[nH+]4)CCC[C@@H]23)cn1 ZINC001069291596 789735637 /nfs/dbraw/zinc/73/56/37/789735637.db2.gz OQXHJGDEZUZCNG-PBHICJAKSA-N 1 2 337.387 0.932 20 30 ECEDLO N#Cc1nccc(N2CC[C@@]3(NC(=O)Cc4c[nH]c[nH+]4)CCC[C@@H]23)n1 ZINC001069291401 789735714 /nfs/dbraw/zinc/73/57/14/789735714.db2.gz LSEMBYUSDBLFQQ-DYVFJYSZSA-N 1 2 337.387 0.932 20 30 ECEDLO C#CCOCCC(=O)NC1(CC)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001069452591 789831150 /nfs/dbraw/zinc/83/11/50/789831150.db2.gz RBQXFRUGCKLNOX-UHFFFAOYSA-N 1 2 346.431 0.810 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(=O)[nH]2)[C@@H](n2ccnn2)C1 ZINC001069907217 790176285 /nfs/dbraw/zinc/17/62/85/790176285.db2.gz QQXFKPVGVZUTBU-KGLIPLIRSA-N 1 2 326.360 0.057 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cccc(=O)[nH]2)[C@@H](n2ccnn2)C1 ZINC001069907217 790176286 /nfs/dbraw/zinc/17/62/86/790176286.db2.gz QQXFKPVGVZUTBU-KGLIPLIRSA-N 1 2 326.360 0.057 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2ccn(CC)n2)[C@@H](n2ccnn2)C1 ZINC001069931857 790204686 /nfs/dbraw/zinc/20/46/86/790204686.db2.gz OAJXVNVWSWUQBF-CVEARBPZSA-N 1 2 341.419 0.102 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2ccn(CC)n2)[C@@H](n2ccnn2)C1 ZINC001069931857 790204690 /nfs/dbraw/zinc/20/46/90/790204690.db2.gz OAJXVNVWSWUQBF-CVEARBPZSA-N 1 2 341.419 0.102 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc3cc(C)ccn32)[C@@H](n2ccnn2)C1 ZINC001069936347 790210167 /nfs/dbraw/zinc/21/01/67/790210167.db2.gz WSZOEHGFRPBOLG-ZBFHGGJFSA-N 1 2 349.398 0.523 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3cc(C)ccn32)[C@@H](n2ccnn2)C1 ZINC001069936347 790210169 /nfs/dbraw/zinc/21/01/69/790210169.db2.gz WSZOEHGFRPBOLG-ZBFHGGJFSA-N 1 2 349.398 0.523 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(CC)ccn2)[C@@H](n2ccnn2)C1 ZINC001069937766 790211831 /nfs/dbraw/zinc/21/18/31/790211831.db2.gz MMVVQACEKBSOPG-SJORKVTESA-N 1 2 338.415 0.914 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(CC)ccn2)[C@@H](n2ccnn2)C1 ZINC001069937766 790211835 /nfs/dbraw/zinc/21/18/35/790211835.db2.gz MMVVQACEKBSOPG-SJORKVTESA-N 1 2 338.415 0.914 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2onc(C)c2C)[C@@H](n2ccnn2)C1 ZINC001069955804 790238116 /nfs/dbraw/zinc/23/81/16/790238116.db2.gz OFNDYVOGKFNEKB-KGLIPLIRSA-N 1 2 328.376 0.562 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2onc(C)c2C)[C@@H](n2ccnn2)C1 ZINC001069955804 790238123 /nfs/dbraw/zinc/23/81/23/790238123.db2.gz OFNDYVOGKFNEKB-KGLIPLIRSA-N 1 2 328.376 0.562 20 30 ECEDLO C[C@@H]1[C@H](Nc2nccnc2C#N)CCN1C(=O)Cc1c[nH+]cn1C ZINC001068872846 791316110 /nfs/dbraw/zinc/31/61/10/791316110.db2.gz RJLQHWLXFYEQFI-DGCLKSJQSA-N 1 2 325.376 0.726 20 30 ECEDLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1COC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001068906353 791388418 /nfs/dbraw/zinc/38/84/18/791388418.db2.gz UGAZPPKBQUAHBN-OAHLLOKOSA-N 1 2 342.399 0.242 20 30 ECEDLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1COC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001068906353 791388425 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C#CCOCCC(=O)N1CCC[C@H]2C[N@@H+](Cc3nnc(C)[nH]3)CC[C@@H]21 ZINC001266658876 836095177 /nfs/dbraw/zinc/09/51/77/836095177.db2.gz JMLKWJYAQOZHPI-HOTGVXAUSA-N 1 2 345.447 0.966 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)n1cccc1 ZINC001266839437 836365305 /nfs/dbraw/zinc/36/53/05/836365305.db2.gz AUFNUXOOFIPDGH-HZPDHXFCSA-N 1 2 330.432 0.769 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)n1cccc1 ZINC001266839437 836365313 /nfs/dbraw/zinc/36/53/13/836365313.db2.gz AUFNUXOOFIPDGH-HZPDHXFCSA-N 1 2 330.432 0.769 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)Cc1cn2cc(C)sc2n1 ZINC001267205459 836985907 /nfs/dbraw/zinc/98/59/07/836985907.db2.gz KSYVFGDZFICGFW-UHFFFAOYSA-N 1 2 349.460 0.597 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)Cc1cn2cc(C)sc2n1 ZINC001267205459 836985913 /nfs/dbraw/zinc/98/59/13/836985913.db2.gz KSYVFGDZFICGFW-UHFFFAOYSA-N 1 2 349.460 0.597 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccc2c(c1)CCN2C ZINC001267225397 837023601 /nfs/dbraw/zinc/02/36/01/837023601.db2.gz VHOXRQLUXNWYDD-UHFFFAOYSA-N 1 2 330.432 0.643 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1ccc2c(c1)CCN2C ZINC001267225397 837023607 /nfs/dbraw/zinc/02/36/07/837023607.db2.gz VHOXRQLUXNWYDD-UHFFFAOYSA-N 1 2 330.432 0.643 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(OC)nn1 ZINC001267266502 837103794 /nfs/dbraw/zinc/10/37/94/837103794.db2.gz FCTXVZWQQXWEIL-ZFWWWQNUSA-N 1 2 332.404 0.604 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(OC)nn1 ZINC001267266502 837103798 /nfs/dbraw/zinc/10/37/98/837103798.db2.gz FCTXVZWQQXWEIL-ZFWWWQNUSA-N 1 2 332.404 0.604 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnc(N(C)C)cn1 ZINC001267268364 837106952 /nfs/dbraw/zinc/10/69/52/837106952.db2.gz ZEQOYTGDWUTIGO-CYBMUJFWSA-N 1 2 346.435 0.039 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc(N(C)C)cn1 ZINC001267268364 837106957 /nfs/dbraw/zinc/10/69/57/837106957.db2.gz ZEQOYTGDWUTIGO-CYBMUJFWSA-N 1 2 346.435 0.039 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1Cc2ccccc21 ZINC001267274116 837116544 /nfs/dbraw/zinc/11/65/44/837116544.db2.gz KVKBJOVAVPNRHB-ZBFHGGJFSA-N 1 2 326.400 0.547 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1Cc2ccccc21 ZINC001267274116 837116553 /nfs/dbraw/zinc/11/65/53/837116553.db2.gz KVKBJOVAVPNRHB-ZBFHGGJFSA-N 1 2 326.400 0.547 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2nc(CC3CC3)no2)C1 ZINC001267292561 837144721 /nfs/dbraw/zinc/14/47/21/837144721.db2.gz CGCAPJLGEQCISG-DZGCQCFKSA-N 1 2 346.431 0.999 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2nc(CC3CC3)no2)C1 ZINC001267292561 837144726 /nfs/dbraw/zinc/14/47/26/837144726.db2.gz CGCAPJLGEQCISG-DZGCQCFKSA-N 1 2 346.431 0.999 20 30 ECEDLO C#CCN1CC[NH+](CCN(C)C(=O)c2cncc(OC)c2C)CC1 ZINC001267607832 837951577 /nfs/dbraw/zinc/95/15/77/837951577.db2.gz WRHXVWMWFSHEAR-UHFFFAOYSA-N 1 2 330.432 0.721 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cc(CC)n[nH]2)C1 ZINC001267611156 837975781 /nfs/dbraw/zinc/97/57/81/837975781.db2.gz IHHIALLOBFVCSJ-GXTWGEPZSA-N 1 2 333.436 0.857 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cc(CC)n[nH]2)C1 ZINC001267611156 837975784 /nfs/dbraw/zinc/97/57/84/837975784.db2.gz IHHIALLOBFVCSJ-GXTWGEPZSA-N 1 2 333.436 0.857 20 30 ECEDLO C#CC[NH+]1CCN(CCN(C)C(=O)CCCc2nc(C)no2)CC1 ZINC001267617745 838044087 /nfs/dbraw/zinc/04/40/87/838044087.db2.gz HQJCPNTZTXLQKG-UHFFFAOYSA-N 1 2 333.436 0.410 20 30 ECEDLO C=CCN1CC[NH+](CCN(C)C(=O)[C@@H]2CCc3nncn3C2)CC1 ZINC001267618845 838052366 /nfs/dbraw/zinc/05/23/66/838052366.db2.gz SWSQGGWRVWKNKO-OAHLLOKOSA-N 1 2 332.452 0.103 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2OC)C1 ZINC001267619885 838057139 /nfs/dbraw/zinc/05/71/39/838057139.db2.gz IIIRCLIWKONQPE-CQSZACIVSA-N 1 2 329.400 0.639 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2OC)C1 ZINC001267619885 838057152 /nfs/dbraw/zinc/05/71/52/838057152.db2.gz IIIRCLIWKONQPE-CQSZACIVSA-N 1 2 329.400 0.639 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CCC[N@@H+](CC#CCOC)C2)nn1 ZINC001267632783 838096302 /nfs/dbraw/zinc/09/63/02/838096302.db2.gz UOEQGSZNXPKARV-HNNXBMFYSA-N 1 2 331.420 0.698 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CCC[N@H+](CC#CCOC)C2)nn1 ZINC001267632783 838096310 /nfs/dbraw/zinc/09/63/10/838096310.db2.gz UOEQGSZNXPKARV-HNNXBMFYSA-N 1 2 331.420 0.698 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccnn2C)C1 ZINC001267633052 838098606 /nfs/dbraw/zinc/09/86/06/838098606.db2.gz ZKIKNQXWOPKNGC-RDJZCZTQSA-N 1 2 347.463 0.972 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccnn2C)C1 ZINC001267633052 838098617 /nfs/dbraw/zinc/09/86/17/838098617.db2.gz ZKIKNQXWOPKNGC-RDJZCZTQSA-N 1 2 347.463 0.972 20 30 ECEDLO C#Cc1ccc(C(=O)NC2C[NH+](CCOCCNC(C)=O)C2)cc1 ZINC001267655764 838164709 /nfs/dbraw/zinc/16/47/09/838164709.db2.gz ROKHGBQBWWEELB-UHFFFAOYSA-N 1 2 329.400 0.235 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267663201 838186557 /nfs/dbraw/zinc/18/65/57/838186557.db2.gz KPFOXMACEFBMPM-ZDUSSCGKSA-N 1 2 333.436 0.566 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC(CNC(=O)C(C)(C)F)C1 ZINC001267674202 838219960 /nfs/dbraw/zinc/21/99/60/838219960.db2.gz UULHSEAMQMVVJU-JTQLQIEISA-N 1 2 328.388 0.183 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2cc(CC)[nH]c(=O)c2)C1 ZINC001267687013 838250510 /nfs/dbraw/zinc/25/05/10/838250510.db2.gz WSBRWUJSTQGLSR-UHFFFAOYSA-N 1 2 332.404 0.313 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2cc(CC)nnc2C)C1 ZINC001267686052 838252686 /nfs/dbraw/zinc/25/26/86/838252686.db2.gz KRSDPFRYUMITTI-UHFFFAOYSA-N 1 2 331.420 0.311 20 30 ECEDLO C=CCCOCC(=O)NCC1C[NH+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001267701342 838294725 /nfs/dbraw/zinc/29/47/25/838294725.db2.gz PXBYNDQTPRKVIE-ZDUSSCGKSA-N 1 2 330.450 0.062 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](OC)c1cnn(C)c1 ZINC001267710845 838325227 /nfs/dbraw/zinc/32/52/27/838325227.db2.gz AZGMVGNHDWUGBG-JYJNAYRXSA-N 1 2 332.404 0.043 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](OC)c1cnn(C)c1 ZINC001267710845 838325233 /nfs/dbraw/zinc/32/52/33/838325233.db2.gz AZGMVGNHDWUGBG-JYJNAYRXSA-N 1 2 332.404 0.043 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nsc3ccccc32)C1 ZINC001267723960 838382533 /nfs/dbraw/zinc/38/25/33/838382533.db2.gz PMOUHAWWJGRDAD-LBPRGKRZSA-N 1 2 342.424 0.850 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nsc3ccccc32)C1 ZINC001267723960 838382535 /nfs/dbraw/zinc/38/25/35/838382535.db2.gz PMOUHAWWJGRDAD-LBPRGKRZSA-N 1 2 342.424 0.850 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cc3cccn3cn2)C1 ZINC001267725067 838389799 /nfs/dbraw/zinc/38/97/99/838389799.db2.gz GHFPNVDIQIJCAI-KBPBESRZSA-N 1 2 339.399 0.276 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cc3cccn3cn2)C1 ZINC001267725067 838389804 /nfs/dbraw/zinc/38/98/04/838389804.db2.gz GHFPNVDIQIJCAI-KBPBESRZSA-N 1 2 339.399 0.276 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2[nH]cnc2C(F)(F)F)C1 ZINC001267726186 838398866 /nfs/dbraw/zinc/39/88/66/838398866.db2.gz VMQQPHXUFGKSEP-VIFPVBQESA-N 1 2 345.325 0.535 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2[nH]cnc2C(F)(F)F)C1 ZINC001267726186 838398873 /nfs/dbraw/zinc/39/88/73/838398873.db2.gz VMQQPHXUFGKSEP-VIFPVBQESA-N 1 2 345.325 0.535 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nn(C)c(C)c2Cl)C1 ZINC001267731312 838419260 /nfs/dbraw/zinc/41/92/60/838419260.db2.gz XHADTGFRKGDGEO-NSHDSACASA-N 1 2 339.827 0.488 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nn(C)c(C)c2Cl)C1 ZINC001267731312 838419262 /nfs/dbraw/zinc/41/92/62/838419262.db2.gz XHADTGFRKGDGEO-NSHDSACASA-N 1 2 339.827 0.488 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCCC)C2)nn1 ZINC001267749724 838467140 /nfs/dbraw/zinc/46/71/40/838467140.db2.gz OLHNTQJIEMMRMZ-CYBMUJFWSA-N 1 2 334.424 0.185 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCCC)C2)nn1 ZINC001267749724 838467148 /nfs/dbraw/zinc/46/71/48/838467148.db2.gz OLHNTQJIEMMRMZ-CYBMUJFWSA-N 1 2 334.424 0.185 20 30 ECEDLO CN(C(=O)C#CC1CC1)[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCOC2)C1 ZINC001267761083 838488880 /nfs/dbraw/zinc/48/88/80/838488880.db2.gz ARMSZDYVQKROPR-CVEARBPZSA-N 1 2 333.432 0.085 20 30 ECEDLO CN(C(=O)C#CC1CC1)[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCOC2)C1 ZINC001267761083 838488886 /nfs/dbraw/zinc/48/88/86/838488886.db2.gz ARMSZDYVQKROPR-CVEARBPZSA-N 1 2 333.432 0.085 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)ccn2)C1 ZINC001267768275 838504170 /nfs/dbraw/zinc/50/41/70/838504170.db2.gz NBOQRQKJGFIKML-CYBMUJFWSA-N 1 2 332.404 0.539 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)ccn2)C1 ZINC001267768275 838504172 /nfs/dbraw/zinc/50/41/72/838504172.db2.gz NBOQRQKJGFIKML-CYBMUJFWSA-N 1 2 332.404 0.539 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3nonc3c2)C1 ZINC001267770518 838519381 /nfs/dbraw/zinc/51/93/81/838519381.db2.gz MTYKDHYJJDQGRR-ZDUSSCGKSA-N 1 2 343.387 0.671 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3nonc3c2)C1 ZINC001267770518 838519388 /nfs/dbraw/zinc/51/93/88/838519388.db2.gz MTYKDHYJJDQGRR-ZDUSSCGKSA-N 1 2 343.387 0.671 20 30 ECEDLO Cc1ccc(CC(=O)N(C)[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)cn1 ZINC001267777698 838545089 /nfs/dbraw/zinc/54/50/89/838545089.db2.gz QKAXWERQNGZSSV-OAHLLOKOSA-N 1 2 329.404 0.105 20 30 ECEDLO Cc1ccc(CC(=O)N(C)[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)cn1 ZINC001267777698 838545093 /nfs/dbraw/zinc/54/50/93/838545093.db2.gz QKAXWERQNGZSSV-OAHLLOKOSA-N 1 2 329.404 0.105 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc(C)nnc2C)C1 ZINC001267786235 838562438 /nfs/dbraw/zinc/56/24/38/838562438.db2.gz KHUIDXGIEOCVKS-HNNXBMFYSA-N 1 2 343.431 0.379 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C)nnc2C)C1 ZINC001267786235 838562441 /nfs/dbraw/zinc/56/24/41/838562441.db2.gz KHUIDXGIEOCVKS-HNNXBMFYSA-N 1 2 343.431 0.379 20 30 ECEDLO CCN(C(=O)c1ccncc1C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267785895 838562552 /nfs/dbraw/zinc/56/25/52/838562552.db2.gz XKMDSYXGSBDXIL-AWEZNQCLSA-N 1 2 329.404 0.566 20 30 ECEDLO CCN(C(=O)c1ccncc1C)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267785895 838562555 /nfs/dbraw/zinc/56/25/55/838562555.db2.gz XKMDSYXGSBDXIL-AWEZNQCLSA-N 1 2 329.404 0.566 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(CC)nn2C)C1 ZINC001267789305 838569197 /nfs/dbraw/zinc/56/91/97/838569197.db2.gz DOSAZHJZJBWMPI-OAHLLOKOSA-N 1 2 345.447 0.268 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(CC)nn2C)C1 ZINC001267789305 838569203 /nfs/dbraw/zinc/56/92/03/838569203.db2.gz DOSAZHJZJBWMPI-OAHLLOKOSA-N 1 2 345.447 0.268 20 30 ECEDLO CCN(C(=O)Cc1occc1C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267792223 838572493 /nfs/dbraw/zinc/57/24/93/838572493.db2.gz WKWKXWNGHPCEOY-CQSZACIVSA-N 1 2 332.404 0.693 20 30 ECEDLO CCN(C(=O)Cc1occc1C)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267792223 838572497 /nfs/dbraw/zinc/57/24/97/838572497.db2.gz WKWKXWNGHPCEOY-CQSZACIVSA-N 1 2 332.404 0.693 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2n[nH]c(C)c2C)C1 ZINC001267919756 838794194 /nfs/dbraw/zinc/79/41/94/838794194.db2.gz UEZOUCQGPAXKTL-ZIAGYGMSSA-N 1 2 331.420 0.359 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2n[nH]c(C)c2C)C1 ZINC001267919756 838794204 /nfs/dbraw/zinc/79/42/04/838794204.db2.gz UEZOUCQGPAXKTL-ZIAGYGMSSA-N 1 2 331.420 0.359 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]nc2CCC)C1 ZINC001267949393 838841091 /nfs/dbraw/zinc/84/10/91/838841091.db2.gz JECSDCCUJHZBGC-ZIAGYGMSSA-N 1 2 345.447 0.694 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2c[nH]nc2CCC)C1 ZINC001267949393 838841103 /nfs/dbraw/zinc/84/11/03/838841103.db2.gz JECSDCCUJHZBGC-ZIAGYGMSSA-N 1 2 345.447 0.694 20 30 ECEDLO C=CCOCC[N@@H+]1CCO[C@H](CNC(=O)C2(C)CCOCC2)C1 ZINC001268025793 839024211 /nfs/dbraw/zinc/02/42/11/839024211.db2.gz KPCDZQKDOXKTDH-OAHLLOKOSA-N 1 2 326.437 0.823 20 30 ECEDLO C=CCOCC[N@H+]1CCO[C@H](CNC(=O)C2(C)CCOCC2)C1 ZINC001268025793 839024216 /nfs/dbraw/zinc/02/42/16/839024216.db2.gz KPCDZQKDOXKTDH-OAHLLOKOSA-N 1 2 326.437 0.823 20 30 ECEDLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173763006 231026701 /nfs/dbraw/zinc/02/67/01/231026701.db2.gz FBAVTJJQRNARLZ-CYBMUJFWSA-N 1 2 347.400 0.732 20 30 ECEDLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173763006 231026703 /nfs/dbraw/zinc/02/67/03/231026703.db2.gz FBAVTJJQRNARLZ-CYBMUJFWSA-N 1 2 347.400 0.732 20 30 ECEDLO CC[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cccc(C#N)c2)CCO1 ZINC000427853804 210223772 /nfs/dbraw/zinc/22/37/72/210223772.db2.gz XXIHFUMGLAQOJG-OAHLLOKOSA-N 1 2 330.388 0.724 20 30 ECEDLO CC[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cccc(C#N)c2)CCO1 ZINC000427853804 210223775 /nfs/dbraw/zinc/22/37/75/210223775.db2.gz XXIHFUMGLAQOJG-OAHLLOKOSA-N 1 2 330.388 0.724 20 30 ECEDLO N#Cc1cc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)ccc1Cl ZINC000180915384 234029108 /nfs/dbraw/zinc/02/91/08/234029108.db2.gz BEJQENRECCVNAW-UHFFFAOYSA-N 1 2 336.779 0.287 20 30 ECEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000181339258 234156762 /nfs/dbraw/zinc/15/67/62/234156762.db2.gz VWDLKLDAZHKOFE-CYBMUJFWSA-N 1 2 329.404 0.655 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2c(C)noc2C)CC1 ZINC000264171725 246136919 /nfs/dbraw/zinc/13/69/19/246136919.db2.gz MAROXVXCXMYMQH-UHFFFAOYSA-N 1 2 332.404 0.118 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2c(C)noc2C)CC1 ZINC000264171725 246136922 /nfs/dbraw/zinc/13/69/22/246136922.db2.gz MAROXVXCXMYMQH-UHFFFAOYSA-N 1 2 332.404 0.118 20 30 ECEDLO N#Cc1cnn(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000450948690 211352010 /nfs/dbraw/zinc/35/20/10/211352010.db2.gz HERCGNWFPOOSIW-UHFFFAOYSA-N 1 2 339.399 0.903 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000337093730 285053816 /nfs/dbraw/zinc/05/38/16/285053816.db2.gz NXGCQHOJYWLZMG-MCIONIFRSA-N 1 2 332.470 0.412 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000097131925 218965838 /nfs/dbraw/zinc/96/58/38/218965838.db2.gz XUQHUMFRBQSEEP-LBPRGKRZSA-N 1 2 329.429 0.951 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000281853028 254551879 /nfs/dbraw/zinc/55/18/79/254551879.db2.gz BJPQVILFHYQBOT-OLZOCXBDSA-N 1 2 340.453 0.045 20 30 ECEDLO C[C@@H](CNC(=O)N1CCOCC2(CCOCC2)C1)[NH+]1CCOCC1 ZINC000329724144 254616031 /nfs/dbraw/zinc/61/60/31/254616031.db2.gz CYRINVKKSXMKAH-HNNXBMFYSA-N 1 2 341.452 0.750 20 30 ECEDLO CCc1nc(CN2CC[NH+](CC(=O)NC3CCOCC3)CC2)no1 ZINC000329900451 254621280 /nfs/dbraw/zinc/62/12/80/254621280.db2.gz GECGZWXCFBMDTP-UHFFFAOYSA-N 1 2 337.424 0.885 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCOC[C@H]2c2nc(C)cs2)CC1 ZINC000491039158 254895015 /nfs/dbraw/zinc/89/50/15/254895015.db2.gz NXEICOQZVQHNON-HNNXBMFYSA-N 1 2 348.472 0.602 20 30 ECEDLO C#C[C@@H](CC)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000491408870 254913044 /nfs/dbraw/zinc/91/30/44/254913044.db2.gz XHHVHFFCDFOMBA-HNNXBMFYSA-N 1 2 329.400 0.985 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN([C@@H](C(=O)OC)c2ccc(F)cc2)CC1 ZINC000491615573 254922268 /nfs/dbraw/zinc/92/22/68/254922268.db2.gz FFFLAIYTOBXREA-QGZVFWFLSA-N 1 2 347.390 0.407 20 30 ECEDLO NC(=NOC[C@H]1CNC(=O)O1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000495583394 255021694 /nfs/dbraw/zinc/02/16/94/255021694.db2.gz MRUDTWHVTVHICV-CQSZACIVSA-N 1 2 334.376 0.264 20 30 ECEDLO C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNc1ncncc1C#N ZINC000496267564 255086278 /nfs/dbraw/zinc/08/62/78/255086278.db2.gz ZIFUCCZYMNABAG-ZDUSSCGKSA-N 1 2 332.408 0.733 20 30 ECEDLO C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNc1ncncc1C#N ZINC000496267564 255086280 /nfs/dbraw/zinc/08/62/80/255086280.db2.gz ZIFUCCZYMNABAG-ZDUSSCGKSA-N 1 2 332.408 0.733 20 30 ECEDLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000123236614 296650716 /nfs/dbraw/zinc/65/07/16/296650716.db2.gz VAFLTEGAFMVGPJ-CYBMUJFWSA-N 1 2 341.408 0.775 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(CC(N)=O)CC2)c1 ZINC000128486420 296659262 /nfs/dbraw/zinc/65/92/62/296659262.db2.gz ZPQMKVBHOALQNL-UHFFFAOYSA-N 1 2 335.429 0.919 20 30 ECEDLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2cccc(C)c2C#N)CC1 ZINC000123266819 222246479 /nfs/dbraw/zinc/24/64/79/222246479.db2.gz USKMGZBAJZALIN-CQSZACIVSA-N 1 2 337.445 0.944 20 30 ECEDLO COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[NH+](C)CC1 ZINC000273066773 263392576 /nfs/dbraw/zinc/39/25/76/263392576.db2.gz NQMWONOBPGCJJA-UHFFFAOYSA-N 1 2 346.387 0.296 20 30 ECEDLO CC(=O)N1CC[NH+](CCNc2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000283406950 264114160 /nfs/dbraw/zinc/11/41/60/264114160.db2.gz ANPHBGAWZYROPH-UHFFFAOYSA-N 1 2 332.364 0.625 20 30 ECEDLO N#Cc1ccnc(N2CC[NH+](C[C@@H]3CCCS(=O)(=O)C3)CC2)c1 ZINC000283915642 264168426 /nfs/dbraw/zinc/16/84/26/264168426.db2.gz BZBCOAIFPVKGHT-HNNXBMFYSA-N 1 2 334.445 0.900 20 30 ECEDLO CNS(=O)(=O)C1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000339497787 270006047 /nfs/dbraw/zinc/00/60/47/270006047.db2.gz IZYXACJARDHFFK-CQSZACIVSA-N 1 2 336.417 0.098 20 30 ECEDLO CNS(=O)(=O)C1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000363626645 270007366 /nfs/dbraw/zinc/00/73/66/270007366.db2.gz CYUXGMFLIHNUJD-UHFFFAOYSA-N 1 2 336.417 0.510 20 30 ECEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C#N)c(C)n2)CC1 ZINC000299318918 266162355 /nfs/dbraw/zinc/16/23/55/266162355.db2.gz XEYUXSFEIQUHKM-UHFFFAOYSA-N 1 2 329.404 0.546 20 30 ECEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C#N)c(C)n2)CC1 ZINC000299318918 266162359 /nfs/dbraw/zinc/16/23/59/266162359.db2.gz XEYUXSFEIQUHKM-UHFFFAOYSA-N 1 2 329.404 0.546 20 30 ECEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC000301822316 267086651 /nfs/dbraw/zinc/08/66/51/267086651.db2.gz BVLHOONJNBXGAL-GASCZTMLSA-N 1 2 342.447 0.975 20 30 ECEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000348193015 267142228 /nfs/dbraw/zinc/14/22/28/267142228.db2.gz ZCPOKXZRGOXVOY-ABKXIKBNSA-N 1 2 348.428 0.358 20 30 ECEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000348193015 267142233 /nfs/dbraw/zinc/14/22/33/267142233.db2.gz ZCPOKXZRGOXVOY-ABKXIKBNSA-N 1 2 348.428 0.358 20 30 ECEDLO C[C@H](NC(=O)C(=O)NCc1cccc(C#N)c1)[C@H](C)[NH+]1CCOCC1 ZINC000284080344 267170053 /nfs/dbraw/zinc/17/00/53/267170053.db2.gz RZNNSDBPUBAGHZ-KBPBESRZSA-N 1 2 344.415 0.400 20 30 ECEDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000514862740 267284665 /nfs/dbraw/zinc/28/46/65/267284665.db2.gz HJLVFTVKARJCDZ-CQSZACIVSA-N 1 2 348.432 0.457 20 30 ECEDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000514862740 267284667 /nfs/dbraw/zinc/28/46/67/267284667.db2.gz HJLVFTVKARJCDZ-CQSZACIVSA-N 1 2 348.432 0.457 20 30 ECEDLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)/C=C\c2ccc(C#N)cc2)CCO1 ZINC000492665698 267301546 /nfs/dbraw/zinc/30/15/46/267301546.db2.gz CZRCZMFWLCYUBZ-WLMCBFPDSA-N 1 2 342.399 0.216 20 30 ECEDLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)/C=C\c2ccc(C#N)cc2)CCO1 ZINC000492665698 267301547 /nfs/dbraw/zinc/30/15/47/267301547.db2.gz CZRCZMFWLCYUBZ-WLMCBFPDSA-N 1 2 342.399 0.216 20 30 ECEDLO Cc1nn(C)c(N2CCN(C(=O)NCCn3cc[nH+]c3)CC2)c1C#N ZINC000527315414 268090328 /nfs/dbraw/zinc/09/03/28/268090328.db2.gz FHNVYWYWXCGFRR-UHFFFAOYSA-N 1 2 342.407 0.329 20 30 ECEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)cc1 ZINC000358199319 268139175 /nfs/dbraw/zinc/13/91/75/268139175.db2.gz QXKSYFNJQJBXMC-CYBMUJFWSA-N 1 2 336.417 0.497 20 30 ECEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)cc1 ZINC000358199319 268139178 /nfs/dbraw/zinc/13/91/78/268139178.db2.gz QXKSYFNJQJBXMC-CYBMUJFWSA-N 1 2 336.417 0.497 20 30 ECEDLO N#CCC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528522878 268156970 /nfs/dbraw/zinc/15/69/70/268156970.db2.gz SZQJSKKRENQTNR-OAHLLOKOSA-N 1 2 328.372 0.356 20 30 ECEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(C[C@H]2CCCNC2=O)c1=O ZINC000516492721 268180070 /nfs/dbraw/zinc/18/00/70/268180070.db2.gz SXYPPOLTZMUMOA-CQSZACIVSA-N 1 2 330.388 0.078 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(OCCO)CC2)cc1 ZINC000336869346 268187657 /nfs/dbraw/zinc/18/76/57/268187657.db2.gz BDTGGNNTQPWBKJ-UHFFFAOYSA-N 1 2 338.429 0.805 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC3(CNC(=O)C3)CC2)cc1 ZINC000357901395 268187982 /nfs/dbraw/zinc/18/79/82/268187982.db2.gz DOHGMIOILYZVQL-UHFFFAOYSA-N 1 2 347.440 0.934 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)s1 ZINC000373826544 268193842 /nfs/dbraw/zinc/19/38/42/268193842.db2.gz XYFQVXRXRBDJII-OLZOCXBDSA-N 1 2 341.458 0.839 20 30 ECEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H](CO)C[NH+]2CCOCC2)c1 ZINC000519764538 268289055 /nfs/dbraw/zinc/28/90/55/268289055.db2.gz MNDAFPDPBXFSLL-IXDOHACOSA-N 1 2 329.400 0.471 20 30 ECEDLO N#Cc1cnc(N[C@@H]2CCCN(CC[NH+]3CCOCC3)C2=O)cn1 ZINC000368925494 268312486 /nfs/dbraw/zinc/31/24/86/268312486.db2.gz SCMAXBCUBWRRLB-CQSZACIVSA-N 1 2 330.392 0.083 20 30 ECEDLO CCN1CCN(C(=O)N[C@@H]2CCC(=O)N(C)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329984747 279336832 /nfs/dbraw/zinc/33/68/32/279336832.db2.gz COPCGDBARWHKHL-CHWSQXEVSA-N 1 2 334.424 0.623 20 30 ECEDLO CC(C)[C@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)[NH+]1CCOCC1 ZINC000330427295 280254252 /nfs/dbraw/zinc/25/42/52/280254252.db2.gz WZFWQYWDDIAAHK-KBPBESRZSA-N 1 2 332.470 0.412 20 30 ECEDLO CN(C)C(=O)c1cc(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)ccn1 ZINC000329930173 282001004 /nfs/dbraw/zinc/00/10/04/282001004.db2.gz OFPSPJWVHXNYIR-KBPBESRZSA-N 1 2 333.392 0.344 20 30 ECEDLO CN(C)C(=O)c1cc(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)ccn1 ZINC000329930173 282001006 /nfs/dbraw/zinc/00/10/06/282001006.db2.gz OFPSPJWVHXNYIR-KBPBESRZSA-N 1 2 333.392 0.344 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000330273053 289606062 /nfs/dbraw/zinc/60/60/62/289606062.db2.gz YPCVDKVXHHPNBB-HUUCEWRRSA-N 1 2 341.452 0.939 20 30 ECEDLO CN1CCN(CC#CC[N@@H+]2CCN(C)C(=O)C2(C)C)C(C)(C)C1=O ZINC000351474316 290038684 /nfs/dbraw/zinc/03/86/84/290038684.db2.gz YKSXRHQBRGUFJG-UHFFFAOYSA-N 1 2 334.464 0.095 20 30 ECEDLO CN1CCN(CC#CC[N@H+]2CCN(C)C(=O)C2(C)C)C(C)(C)C1=O ZINC000351474316 290038685 /nfs/dbraw/zinc/03/86/85/290038685.db2.gz YKSXRHQBRGUFJG-UHFFFAOYSA-N 1 2 334.464 0.095 20 30 ECEDLO Cc1cccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1C#N ZINC000190037018 437616883 /nfs/dbraw/zinc/61/68/83/437616883.db2.gz PHIKKEQZZVBESI-ZDUSSCGKSA-N 1 2 330.388 0.330 20 30 ECEDLO Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1C#N ZINC000190037018 437616886 /nfs/dbraw/zinc/61/68/86/437616886.db2.gz PHIKKEQZZVBESI-ZDUSSCGKSA-N 1 2 330.388 0.330 20 30 ECEDLO COC[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CC2)CC(C)(C)O1 ZINC000329209766 293218944 /nfs/dbraw/zinc/21/89/44/293218944.db2.gz YOQYUODJFQWICY-CQSZACIVSA-N 1 2 341.452 0.891 20 30 ECEDLO C[C@H](CNC(=O)N1CCS(=O)(=O)C(C)(C)C1)C[NH+]1CCOCC1 ZINC000329692570 298244629 /nfs/dbraw/zinc/24/46/29/298244629.db2.gz DUKDUGCQHMMOQR-CYBMUJFWSA-N 1 2 347.481 0.378 20 30 ECEDLO C[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000072702202 436050916 /nfs/dbraw/zinc/05/09/16/436050916.db2.gz BXSYTUZCSBKKRN-CABCVRRESA-N 1 2 338.429 0.611 20 30 ECEDLO C[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000072702202 436050923 /nfs/dbraw/zinc/05/09/23/436050923.db2.gz BXSYTUZCSBKKRN-CABCVRRESA-N 1 2 338.429 0.611 20 30 ECEDLO C=CCN1C(=O)c2ccc(C(=O)NCC[NH+]3CCOCC3)cc2C1=O ZINC000020902851 436111494 /nfs/dbraw/zinc/11/14/94/436111494.db2.gz VMBVLTPKWGUXCA-UHFFFAOYSA-N 1 2 343.383 0.531 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN([C@@H](C)C(=O)Nc2nccs2)CC1 ZINC000027900528 436182373 /nfs/dbraw/zinc/18/23/73/436182373.db2.gz NVIMGBHKYOBHNP-LBPRGKRZSA-N 1 2 337.449 0.390 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029450298 436203417 /nfs/dbraw/zinc/20/34/17/436203417.db2.gz ZGHZBBDJCLEZGM-AWEZNQCLSA-N 1 2 331.420 0.616 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000076945334 436218957 /nfs/dbraw/zinc/21/89/57/436218957.db2.gz SPNXETJJKYUTIX-HNNXBMFYSA-N 1 2 337.468 0.090 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000076945334 436218961 /nfs/dbraw/zinc/21/89/61/436218961.db2.gz SPNXETJJKYUTIX-HNNXBMFYSA-N 1 2 337.468 0.090 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000078334407 436264365 /nfs/dbraw/zinc/26/43/65/436264365.db2.gz UMOPWOMWJGBICL-PBHICJAKSA-N 1 2 337.468 0.135 20 30 ECEDLO Cc1nn(C)c(C)c1NC(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000078719958 436276437 /nfs/dbraw/zinc/27/64/37/436276437.db2.gz IYCHPRKPYCGDRR-UHFFFAOYSA-N 1 2 348.451 0.523 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@H](O)COc1ccccc1 ZINC000081515405 436348278 /nfs/dbraw/zinc/34/82/78/436348278.db2.gz VRFDSAVKPBVRJI-KRWDZBQOSA-N 1 2 333.432 0.974 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000042331477 436300639 /nfs/dbraw/zinc/30/06/39/436300639.db2.gz WXGIDSAODZLTCD-JKSUJKDBSA-N 1 2 335.448 0.899 20 30 ECEDLO CCNC(=O)C[N@H+](CC)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000092617014 436472846 /nfs/dbraw/zinc/47/28/46/436472846.db2.gz FLUBLWHTQCAJLX-OAHLLOKOSA-N 1 2 337.468 0.137 20 30 ECEDLO CCNC(=O)C[N@@H+](CC)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000092617014 436472849 /nfs/dbraw/zinc/47/28/49/436472849.db2.gz FLUBLWHTQCAJLX-OAHLLOKOSA-N 1 2 337.468 0.137 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCNC(=O)[C@H]2C(C)C)CC1 ZINC000092618600 436473895 /nfs/dbraw/zinc/47/38/95/436473895.db2.gz WMXGJBNRVDKXSX-DOTOQJQBSA-N 1 2 349.479 0.135 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCNC(=O)[C@H]2C(C)C)CC1 ZINC000092618600 436473901 /nfs/dbraw/zinc/47/39/01/436473901.db2.gz WMXGJBNRVDKXSX-DOTOQJQBSA-N 1 2 349.479 0.135 20 30 ECEDLO CCn1c(N)c(C(=O)C[N@H+](C)Cc2cccc(C#N)c2)c(=O)[nH]c1=O ZINC000052580327 436511573 /nfs/dbraw/zinc/51/15/73/436511573.db2.gz BGMVMFVBFPQTQF-UHFFFAOYSA-N 1 2 341.371 0.325 20 30 ECEDLO CCn1c(N)c(C(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c(=O)[nH]c1=O ZINC000052580327 436511575 /nfs/dbraw/zinc/51/15/75/436511575.db2.gz BGMVMFVBFPQTQF-UHFFFAOYSA-N 1 2 341.371 0.325 20 30 ECEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]O[C@H]3CCN(C)C3=O)cn2)n1 ZINC000116267805 436649468 /nfs/dbraw/zinc/64/94/68/436649468.db2.gz RWMYNUSDFICZPX-ZDUSSCGKSA-N 1 2 328.376 0.752 20 30 ECEDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1cc(C#N)ccn1)C2 ZINC000552147574 302385626 /nfs/dbraw/zinc/38/56/26/302385626.db2.gz OAYPXRJMOPILHZ-ZDUSSCGKSA-N 1 2 325.372 0.738 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000195335439 436688597 /nfs/dbraw/zinc/68/85/97/436688597.db2.gz KSBJIAMDEAJPNE-UHFFFAOYSA-N 1 2 332.404 0.019 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000269610947 436666998 /nfs/dbraw/zinc/66/69/98/436666998.db2.gz BCCQXHCUKOMLHW-OLZOCXBDSA-N 1 2 329.408 0.326 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000269610947 436667002 /nfs/dbraw/zinc/66/70/02/436667002.db2.gz BCCQXHCUKOMLHW-OLZOCXBDSA-N 1 2 329.408 0.326 20 30 ECEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCN(C)C(=O)C2)c(OC)c1 ZINC000119482506 436668208 /nfs/dbraw/zinc/66/82/08/436668208.db2.gz OYBCIHZNDILWTE-OAHLLOKOSA-N 1 2 334.416 0.937 20 30 ECEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCN(C)C(=O)C2)c(OC)c1 ZINC000119482506 436668210 /nfs/dbraw/zinc/66/82/10/436668210.db2.gz OYBCIHZNDILWTE-OAHLLOKOSA-N 1 2 334.416 0.937 20 30 ECEDLO N#CC1CC[NH+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000142036865 436671807 /nfs/dbraw/zinc/67/18/07/436671807.db2.gz UWKHZTHAEXSIIS-UHFFFAOYSA-N 1 2 348.428 0.459 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)c2cccc(OC)c2)CC1 ZINC000142171467 436672015 /nfs/dbraw/zinc/67/20/15/436672015.db2.gz UNDNTVYKCICAJH-HNNXBMFYSA-N 1 2 343.427 0.981 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)c2cccc(OC)c2)CC1 ZINC000142171467 436672021 /nfs/dbraw/zinc/67/20/21/436672021.db2.gz UNDNTVYKCICAJH-HNNXBMFYSA-N 1 2 343.427 0.981 20 30 ECEDLO C=CC[N@@H+](C[C@H]1CC(C(=O)OC)=C(C)O1)[C@H]1CCS(=O)(=O)C1 ZINC000270464396 436673563 /nfs/dbraw/zinc/67/35/63/436673563.db2.gz PMDGSNGTJSVNCZ-QWHCGFSZSA-N 1 2 329.418 0.897 20 30 ECEDLO C=CC[N@H+](C[C@H]1CC(C(=O)OC)=C(C)O1)[C@H]1CCS(=O)(=O)C1 ZINC000270464396 436673567 /nfs/dbraw/zinc/67/35/67/436673567.db2.gz PMDGSNGTJSVNCZ-QWHCGFSZSA-N 1 2 329.418 0.897 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000271321592 436679789 /nfs/dbraw/zinc/67/97/89/436679789.db2.gz XIJKIZXXOCHFOC-UHFFFAOYSA-N 1 2 345.399 0.304 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC000271321592 436679793 /nfs/dbraw/zinc/67/97/93/436679793.db2.gz XIJKIZXXOCHFOC-UHFFFAOYSA-N 1 2 345.399 0.304 20 30 ECEDLO Cc1c(CCC(=O)N(CCC#N)CC[NH+]2CCOCC2)cnn1C ZINC000122729295 436736623 /nfs/dbraw/zinc/73/66/23/436736623.db2.gz UAQDPKXSBZCFAL-UHFFFAOYSA-N 1 2 333.436 0.736 20 30 ECEDLO C#CC[NH+]1CCN(CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)CC1 ZINC000124339276 436748743 /nfs/dbraw/zinc/74/87/43/436748743.db2.gz OUPYITFBFXZIDP-INIZCTEOSA-N 1 2 326.400 0.358 20 30 ECEDLO COC(=O)CNC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000121512774 436717937 /nfs/dbraw/zinc/71/79/37/436717937.db2.gz PIFZPYLWHRGHKP-ZBFHGGJFSA-N 1 2 344.415 0.547 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCO[C@@H](C)[C@H]3C)CC2)o1 ZINC000246545691 436782012 /nfs/dbraw/zinc/78/20/12/436782012.db2.gz AUIXPEDMOURJLC-OLZOCXBDSA-N 1 2 347.419 0.613 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCO[C@@H](C)[C@H]3C)CC2)o1 ZINC000246545691 436782015 /nfs/dbraw/zinc/78/20/15/436782015.db2.gz AUIXPEDMOURJLC-OLZOCXBDSA-N 1 2 347.419 0.613 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(C(=O)OC)c(C)c2)CC1 ZINC000154873819 436787352 /nfs/dbraw/zinc/78/73/52/436787352.db2.gz WGIXAVPQMWKJPI-UHFFFAOYSA-N 1 2 329.400 0.971 20 30 ECEDLO CC#CCC[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000155095008 436789628 /nfs/dbraw/zinc/78/96/28/436789628.db2.gz KYOTYLLBAHDFME-GASCZTMLSA-N 1 2 329.466 0.371 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000126973824 436794341 /nfs/dbraw/zinc/79/43/41/436794341.db2.gz UMVUDYUFLYLIEH-MRXNPFEDSA-N 1 2 336.480 0.671 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000126973824 436794343 /nfs/dbraw/zinc/79/43/43/436794343.db2.gz UMVUDYUFLYLIEH-MRXNPFEDSA-N 1 2 336.480 0.671 20 30 ECEDLO C#CCN1CCN(C(=O)CO[NH+]=C(N)c2ccc3c(c2)CCO3)CC1 ZINC000158168330 436840621 /nfs/dbraw/zinc/84/06/21/436840621.db2.gz GTNWXRNRBDOWDO-UHFFFAOYSA-N 1 2 342.399 0.036 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000293127553 436851600 /nfs/dbraw/zinc/85/16/00/436851600.db2.gz ZNYLKJOERXJLOY-HOCLYGCPSA-N 1 2 334.424 0.462 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000293127553 436851603 /nfs/dbraw/zinc/85/16/03/436851603.db2.gz ZNYLKJOERXJLOY-HOCLYGCPSA-N 1 2 334.424 0.462 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\c2cncc(O)c2)CC1 ZINC000255379708 436852518 /nfs/dbraw/zinc/85/25/18/436852518.db2.gz CGJOHUAAQURXCH-PLNGDYQASA-N 1 2 342.399 0.084 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\c2cncc(O)c2)CC1 ZINC000255379708 436852519 /nfs/dbraw/zinc/85/25/19/436852519.db2.gz CGJOHUAAQURXCH-PLNGDYQASA-N 1 2 342.399 0.084 20 30 ECEDLO C=CCC(F)(F)c1nc(CC(=O)NCC[NH+]2CCOCC2)no1 ZINC000293311698 436866463 /nfs/dbraw/zinc/86/64/63/436866463.db2.gz XGOQGIOLKUNFPX-UHFFFAOYSA-N 1 2 330.335 0.728 20 30 ECEDLO C=CC[N@@H+](C)CC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC000275057930 436915260 /nfs/dbraw/zinc/91/52/60/436915260.db2.gz OAHJJSONBWSGPG-QGZVFWFLSA-N 1 2 346.387 0.611 20 30 ECEDLO C=CC[N@H+](C)CC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC000275057930 436915262 /nfs/dbraw/zinc/91/52/62/436915262.db2.gz OAHJJSONBWSGPG-QGZVFWFLSA-N 1 2 346.387 0.611 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NC(=O)c2ccc(OC)cc2)C1=O ZINC000281352397 436963765 /nfs/dbraw/zinc/96/37/65/436963765.db2.gz NEXYNKDEUGPHRB-HNNXBMFYSA-N 1 2 345.399 0.670 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NC(=O)c2ccc(OC)cc2)C1=O ZINC000281352397 436963769 /nfs/dbraw/zinc/96/37/69/436963769.db2.gz NEXYNKDEUGPHRB-HNNXBMFYSA-N 1 2 345.399 0.670 20 30 ECEDLO C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000171094545 436966487 /nfs/dbraw/zinc/96/64/87/436966487.db2.gz FESKIJFXQPJHQA-LLVKDONJSA-N 1 2 329.809 0.821 20 30 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ZINC000330892332 437643978 /nfs/dbraw/zinc/64/39/78/437643978.db2.gz XSFULPFMBUAVJN-UHFFFAOYSA-N 1 2 329.466 0.790 20 30 ECEDLO COC(=O)[C@H]1CCCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000330900735 437645795 /nfs/dbraw/zinc/64/57/95/437645795.db2.gz WKRITRZRNGXNEM-ZDUSSCGKSA-N 1 2 327.425 0.896 20 30 ECEDLO COC(=O)[C@H]1CCCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000330900735 437645798 /nfs/dbraw/zinc/64/57/98/437645798.db2.gz WKRITRZRNGXNEM-ZDUSSCGKSA-N 1 2 327.425 0.896 20 30 ECEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCC(C)(C)O)ccn2)CC1 ZINC000330902318 437646089 /nfs/dbraw/zinc/64/60/89/437646089.db2.gz XOGDQAAAZYLPRS-UHFFFAOYSA-N 1 2 335.408 0.566 20 30 ECEDLO COc1nn(C)cc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000354710417 437649410 /nfs/dbraw/zinc/64/94/10/437649410.db2.gz MMRYYLORUCKGKM-UHFFFAOYSA-N 1 2 336.396 0.508 20 30 ECEDLO CCN(C)C(=O)[C@@H](C)NC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000331024940 437673084 /nfs/dbraw/zinc/67/30/84/437673084.db2.gz TUUOHUILJDXRBX-HUUCEWRRSA-N 1 2 339.484 0.479 20 30 ECEDLO C=CCCOCCNC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000361104400 437656604 /nfs/dbraw/zinc/65/66/04/437656604.db2.gz SSBJKNFTCSPRGU-CQSZACIVSA-N 1 2 349.435 0.803 20 30 ECEDLO C=CCNC(=O)c1cccc(S(=O)(=O)NCc2[nH+]ccn2C)c1 ZINC000355105898 437670666 /nfs/dbraw/zinc/67/06/66/437670666.db2.gz MURDPDPBPVKQLC-UHFFFAOYSA-N 1 2 334.401 0.814 20 30 ECEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1[C@H](C)C(=O)NC(=O)NC(C)C ZINC000331051005 437679427 /nfs/dbraw/zinc/67/94/27/437679427.db2.gz IJSIHCFHGCKSBH-GHMZBOCLSA-N 1 2 331.438 0.794 20 30 ECEDLO COC(=O)C[C@@H]1CSCC[N@H+]1[C@H](C)C(=O)NC(=O)NC(C)C ZINC000331051005 437679431 /nfs/dbraw/zinc/67/94/31/437679431.db2.gz IJSIHCFHGCKSBH-GHMZBOCLSA-N 1 2 331.438 0.794 20 30 ECEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000362046282 437714283 /nfs/dbraw/zinc/71/42/83/437714283.db2.gz IXDQHFIFJLPURO-UHFFFAOYSA-N 1 2 327.406 0.407 20 30 ECEDLO C=CC[N@H+](CCOC)CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000362046282 437714286 /nfs/dbraw/zinc/71/42/86/437714286.db2.gz IXDQHFIFJLPURO-UHFFFAOYSA-N 1 2 327.406 0.407 20 30 ECEDLO C=C(C)CN(C)C(=O)C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000341011400 437774461 /nfs/dbraw/zinc/77/44/61/437774461.db2.gz WHJBCFXURPEHIL-CYBMUJFWSA-N 1 2 347.419 0.062 20 30 ECEDLO C=CCCOCCNC(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000362177236 437721992 /nfs/dbraw/zinc/72/19/92/437721992.db2.gz IEJLBVVDGNOBBI-QGZVFWFLSA-N 1 2 341.452 0.760 20 30 ECEDLO COCCC(=O)N1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000355776896 437732794 /nfs/dbraw/zinc/73/27/94/437732794.db2.gz VZKCLKSXAGPHGT-INIZCTEOSA-N 1 2 347.415 0.479 20 30 ECEDLO COC[C@](C)(C#N)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000362882439 437759722 /nfs/dbraw/zinc/75/97/22/437759722.db2.gz GYSCEUODAFTUDG-CJNGLKHVSA-N 1 2 335.408 0.528 20 30 ECEDLO COC[C@](C)(C#N)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000362882439 437759723 /nfs/dbraw/zinc/75/97/23/437759723.db2.gz GYSCEUODAFTUDG-CJNGLKHVSA-N 1 2 335.408 0.528 20 30 ECEDLO CCS(=O)(=O)N(C)C1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000346982648 437822864 /nfs/dbraw/zinc/82/28/64/437822864.db2.gz NWFDXUHAZZXYFE-UHFFFAOYSA-N 1 2 342.465 0.295 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364337877 437815330 /nfs/dbraw/zinc/81/53/30/437815330.db2.gz NTBBUYZHUFEBDD-LLVKDONJSA-N 1 2 336.352 0.440 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364337877 437815333 /nfs/dbraw/zinc/81/53/33/437815333.db2.gz NTBBUYZHUFEBDD-LLVKDONJSA-N 1 2 336.352 0.440 20 30 ECEDLO C=CCNC(=O)[C@@H](C)N1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000365163083 437867248 /nfs/dbraw/zinc/86/72/48/437867248.db2.gz NUHROKNZFJMOLP-CJNGLKHVSA-N 1 2 341.415 0.806 20 30 ECEDLO Cc1nc(C(=O)N2CCO[C@H](C[NH+]3CCN(C)CC3)C2)ccc1C#N ZINC000370769068 437836520 /nfs/dbraw/zinc/83/65/20/437836520.db2.gz YMKKQCPRNSAQSM-MRXNPFEDSA-N 1 2 343.431 0.350 20 30 ECEDLO CN1CC[NH+](C[C@H]2CN(c3c(C#N)cccc3C#N)CCO2)CC1 ZINC000365026961 437848296 /nfs/dbraw/zinc/84/82/96/437848296.db2.gz FLPGWIVRBFLWIN-KRWDZBQOSA-N 1 2 325.416 0.883 20 30 ECEDLO Cc1nc(C(=O)N2CC[NH+](C3(C(N)=O)CCCC3)CC2)ccc1C#N ZINC000370881816 437852514 /nfs/dbraw/zinc/85/25/14/437852514.db2.gz RHYVHADQJVQNEO-UHFFFAOYSA-N 1 2 341.415 0.818 20 30 ECEDLO C=CCCOCCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000342001777 437938181 /nfs/dbraw/zinc/93/81/81/437938181.db2.gz QILWDMWNWTZXHQ-HNNXBMFYSA-N 1 2 339.436 0.019 20 30 ECEDLO C=CCCOCCNC(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000342006533 437940320 /nfs/dbraw/zinc/94/03/20/437940320.db2.gz PWNUUTSZJVJARC-UHFFFAOYSA-N 1 2 346.431 0.748 20 30 ECEDLO COC[C@@H]1CN(CC#CC[N@@H+]2C[C@@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000342137511 437972489 /nfs/dbraw/zinc/97/24/89/437972489.db2.gz UVVSQDPWAASHIH-MHORFTMASA-N 1 2 340.464 0.461 20 30 ECEDLO COC[C@@H]1CN(CC#CC[N@H+]2C[C@@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000342137511 437972494 /nfs/dbraw/zinc/97/24/94/437972494.db2.gz UVVSQDPWAASHIH-MHORFTMASA-N 1 2 340.464 0.461 20 30 ECEDLO COC[C@@H]1CN(CC#CC[N@@H+]2C[C@H](C)O[C@H](COC)C2)C[C@@H](C)O1 ZINC000342137511 437972497 /nfs/dbraw/zinc/97/24/97/437972497.db2.gz UVVSQDPWAASHIH-MHORFTMASA-N 1 2 340.464 0.461 20 30 ECEDLO COC[C@@H]1CN(CC#CC[N@H+]2C[C@H](C)O[C@H](COC)C2)C[C@@H](C)O1 ZINC000342137511 437972503 /nfs/dbraw/zinc/97/25/03/437972503.db2.gz UVVSQDPWAASHIH-MHORFTMASA-N 1 2 340.464 0.461 20 30 ECEDLO C=CCCC(=O)N[C@H](C(=O)NCC[NH+]1CCOCC1)[C@@H](C)CC ZINC000347887167 437974209 /nfs/dbraw/zinc/97/42/09/437974209.db2.gz AKHGIHJIGCDPFM-HOCLYGCPSA-N 1 2 325.453 0.932 20 30 ECEDLO C=CCCC(=O)N[C@@H](C(=O)NCC[NH+]1CCOCC1)[C@@H](C)CC ZINC000347887165 437975232 /nfs/dbraw/zinc/97/52/32/437975232.db2.gz AKHGIHJIGCDPFM-GOEBONIOSA-N 1 2 325.453 0.932 20 30 ECEDLO Cc1ncc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)cc1C#N ZINC000416672636 437985453 /nfs/dbraw/zinc/98/54/53/437985453.db2.gz YZXILLWWENZPGD-VXGBXAGGSA-N 1 2 338.433 0.337 20 30 ECEDLO Cc1ncc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cc1C#N ZINC000416672636 437985458 /nfs/dbraw/zinc/98/54/58/437985458.db2.gz YZXILLWWENZPGD-VXGBXAGGSA-N 1 2 338.433 0.337 20 30 ECEDLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc(F)cc1C#N ZINC000416671021 437985777 /nfs/dbraw/zinc/98/57/77/437985777.db2.gz VBCUEVWRRVYYFN-RYUDHWBXSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc(F)cc1C#N ZINC000416671021 437985783 /nfs/dbraw/zinc/98/57/83/437985783.db2.gz VBCUEVWRRVYYFN-RYUDHWBXSA-N 1 2 341.408 0.773 20 30 ECEDLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1 ZINC000425199747 438018573 /nfs/dbraw/zinc/01/85/73/438018573.db2.gz GCPMLTMEZWHSFH-CYBMUJFWSA-N 1 2 332.470 0.365 20 30 ECEDLO CN1CC[NH+](C2(C(=O)Nc3ccn(CCC#N)n3)CCCC2)CC1 ZINC000371818790 437996461 /nfs/dbraw/zinc/99/64/61/437996461.db2.gz LNLYJQAYYZHXGA-UHFFFAOYSA-N 1 2 330.436 1.295 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ncc(C)cc2OC)CC1 ZINC000372833367 438111315 /nfs/dbraw/zinc/11/13/15/438111315.db2.gz AOGFPSBOSCTILD-UHFFFAOYSA-N 1 2 344.415 0.296 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ncc(C)cc2OC)CC1 ZINC000372833367 438111319 /nfs/dbraw/zinc/11/13/19/438111319.db2.gz AOGFPSBOSCTILD-UHFFFAOYSA-N 1 2 344.415 0.296 20 30 ECEDLO C=CCOCCNC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000373068950 438127495 /nfs/dbraw/zinc/12/74/95/438127495.db2.gz HMAISHJGBFBSDT-UHFFFAOYSA-N 1 2 341.452 0.758 20 30 ECEDLO CN(C(=O)C[N@@H+]1CCN2C(=O)N(C)C[C@@H]2C1)C1(C#N)CCCCC1 ZINC000373239879 438138263 /nfs/dbraw/zinc/13/82/63/438138263.db2.gz FLNOVJPQMPIITH-CQSZACIVSA-N 1 2 333.436 0.723 20 30 ECEDLO CN(C(=O)C[N@H+]1CCN2C(=O)N(C)C[C@@H]2C1)C1(C#N)CCCCC1 ZINC000373239879 438138267 /nfs/dbraw/zinc/13/82/67/438138267.db2.gz FLNOVJPQMPIITH-CQSZACIVSA-N 1 2 333.436 0.723 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2nccnc2C)CC1 ZINC000366922661 438144144 /nfs/dbraw/zinc/14/41/44/438144144.db2.gz QHJICBVEEJHBJE-CQSZACIVSA-N 1 2 330.436 0.915 20 30 ECEDLO N#CCNC(=O)CNC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000358306606 438196255 /nfs/dbraw/zinc/19/62/55/438196255.db2.gz FWLWDFMXOQOYQL-UHFFFAOYSA-N 1 2 349.822 0.807 20 30 ECEDLO C=C(C)CS(=O)(=O)NC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000373808289 438169247 /nfs/dbraw/zinc/16/92/47/438169247.db2.gz ADGUPEPYZBVCDG-UHFFFAOYSA-N 1 2 329.466 0.569 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000432995850 438219800 /nfs/dbraw/zinc/21/98/00/438219800.db2.gz DFDDAEFVDISDRP-MRVPVSSYSA-N 1 2 342.197 0.902 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000432995852 438220470 /nfs/dbraw/zinc/22/04/70/438220470.db2.gz DFDDAEFVDISDRP-QMMMGPOBSA-N 1 2 342.197 0.902 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2n[nH]cc2NC(C)=O)C1 ZINC000374776143 438228639 /nfs/dbraw/zinc/22/86/39/438228639.db2.gz FKNFGHSAGZGVSV-GFCCVEGCSA-N 1 2 348.407 0.559 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(C)=O)C1 ZINC000374776143 438228642 /nfs/dbraw/zinc/22/86/42/438228642.db2.gz FKNFGHSAGZGVSV-GFCCVEGCSA-N 1 2 348.407 0.559 20 30 ECEDLO N#Cc1ncn(CCNC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000376386975 438281277 /nfs/dbraw/zinc/28/12/77/438281277.db2.gz UFROFWRMRNTDDH-CYBMUJFWSA-N 1 2 325.376 0.578 20 30 ECEDLO C#CC[C@H](C)NC(=O)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000376494419 438283123 /nfs/dbraw/zinc/28/31/23/438283123.db2.gz FJBWPTVXURQFGC-GJZGRUSLSA-N 1 2 336.436 0.021 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000377208478 438303606 /nfs/dbraw/zinc/30/36/06/438303606.db2.gz RVFPROLFIREWEJ-UONOGXRCSA-N 1 2 347.481 0.050 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000377208478 438303611 /nfs/dbraw/zinc/30/36/11/438303611.db2.gz RVFPROLFIREWEJ-UONOGXRCSA-N 1 2 347.481 0.050 20 30 ECEDLO C#CCC(CC#C)C(=O)N1C[C@@H](O)[C@@H]([N@H+](CC)Cc2nnc(C)o2)C1 ZINC000377308706 438307681 /nfs/dbraw/zinc/30/76/81/438307681.db2.gz XNMDNQQBUKHINT-JKSUJKDBSA-N 1 2 344.415 0.434 20 30 ECEDLO C#CCC(CC#C)C(=O)N1C[C@@H](O)[C@@H]([N@@H+](CC)Cc2nnc(C)o2)C1 ZINC000377308706 438307687 /nfs/dbraw/zinc/30/76/87/438307687.db2.gz XNMDNQQBUKHINT-JKSUJKDBSA-N 1 2 344.415 0.434 20 30 ECEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1)C1CC1 ZINC000434716034 438317757 /nfs/dbraw/zinc/31/77/57/438317757.db2.gz CYXMKDYBRGDBSJ-SJLPKXTDSA-N 1 2 348.447 0.146 20 30 ECEDLO C=CCOC[C@@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C(=O)OC ZINC000435947258 438392435 /nfs/dbraw/zinc/39/24/35/438392435.db2.gz DGSLEUVKOQIOMR-HUUCEWRRSA-N 1 2 340.420 0.490 20 30 ECEDLO C=CCOC[C@@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C(=O)OC ZINC000435947258 438392438 /nfs/dbraw/zinc/39/24/38/438392438.db2.gz DGSLEUVKOQIOMR-HUUCEWRRSA-N 1 2 340.420 0.490 20 30 ECEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC2(C#N)CCC2)CC1 ZINC000419631723 438365683 /nfs/dbraw/zinc/36/56/83/438365683.db2.gz VWVSFAWNGMMWHS-CYBMUJFWSA-N 1 2 333.436 0.675 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378426552 438385732 /nfs/dbraw/zinc/38/57/32/438385732.db2.gz HYGBMWVAHHRDDK-HNNXBMFYSA-N 1 2 337.468 0.099 20 30 ECEDLO C=CCOC[C@H](NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1)C(=O)OC ZINC000435948930 438394582 /nfs/dbraw/zinc/39/45/82/438394582.db2.gz JYJADCNMESRNOU-LSDHHAIUSA-N 1 2 340.420 0.348 20 30 ECEDLO C=CCOC[C@H](NC(=O)[C@H]1COCC[N@H+]1CC1CCC1)C(=O)OC ZINC000435948930 438394584 /nfs/dbraw/zinc/39/45/84/438394584.db2.gz JYJADCNMESRNOU-LSDHHAIUSA-N 1 2 340.420 0.348 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000352551435 438439757 /nfs/dbraw/zinc/43/97/57/438439757.db2.gz XUUUYTKAUJHNQU-OLZOCXBDSA-N 1 2 342.465 0.293 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000352551435 438439761 /nfs/dbraw/zinc/43/97/61/438439761.db2.gz XUUUYTKAUJHNQU-OLZOCXBDSA-N 1 2 342.465 0.293 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000368875803 438396090 /nfs/dbraw/zinc/39/60/90/438396090.db2.gz IAWGUZFLYWWVOV-UHFFFAOYSA-N 1 2 331.420 0.925 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000368875803 438396096 /nfs/dbraw/zinc/39/60/96/438396096.db2.gz IAWGUZFLYWWVOV-UHFFFAOYSA-N 1 2 331.420 0.925 20 30 ECEDLO C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CC[NH+](CC)CC ZINC000352327410 438410500 /nfs/dbraw/zinc/41/05/00/438410500.db2.gz ZHTVGLRQFJJVJO-CYBMUJFWSA-N 1 2 338.495 0.333 20 30 ECEDLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000352571032 438446652 /nfs/dbraw/zinc/44/66/52/438446652.db2.gz OZQJYGAQHOXNEM-ZFWWWQNUSA-N 1 2 342.465 0.151 20 30 ECEDLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000352571032 438446656 /nfs/dbraw/zinc/44/66/56/438446656.db2.gz OZQJYGAQHOXNEM-ZFWWWQNUSA-N 1 2 342.465 0.151 20 30 ECEDLO N#Cc1ccc(CS(=O)(=O)N2CC[NH+](CCCO)CC2)c(F)c1 ZINC000440049217 438529158 /nfs/dbraw/zinc/52/91/58/438529158.db2.gz HZBZXFXEOMZTRR-UHFFFAOYSA-N 1 2 341.408 0.527 20 30 ECEDLO C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000440251136 438537938 /nfs/dbraw/zinc/53/79/38/438537938.db2.gz AURUXYBEASASOH-CQSZACIVSA-N 1 2 349.435 0.625 20 30 ECEDLO Cc1cccc(NC(=O)C(=O)NCC[N@H+]2CCOC[C@@H]2C)c1C#N ZINC000441818842 438592490 /nfs/dbraw/zinc/59/24/90/438592490.db2.gz JCKASKOPGZCDCM-ZDUSSCGKSA-N 1 2 330.388 0.642 20 30 ECEDLO Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCOC[C@@H]2C)c1C#N ZINC000441818842 438592492 /nfs/dbraw/zinc/59/24/92/438592492.db2.gz JCKASKOPGZCDCM-ZDUSSCGKSA-N 1 2 330.388 0.642 20 30 ECEDLO C=CCNC(=O)CNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000443053083 438638809 /nfs/dbraw/zinc/63/88/09/438638809.db2.gz VGQVWVVROANZHC-UHFFFAOYSA-N 1 2 334.401 0.512 20 30 ECEDLO C[C@H]1C[C@]1(C#N)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000448836906 438686223 /nfs/dbraw/zinc/68/62/23/438686223.db2.gz RDQZFDMQHWDSNH-KBXCAEBGSA-N 1 2 341.415 0.786 20 30 ECEDLO CC(=O)N1CC[NH+](CCNC(=O)CNc2cccc(C#N)c2)CC1 ZINC000494527949 438696304 /nfs/dbraw/zinc/69/63/04/438696304.db2.gz KSCPQUBQKPQPNJ-UHFFFAOYSA-N 1 2 329.404 0.250 20 30 ECEDLO Cc1ccc([C@]2(C)NC(=O)N(C[C@H](O)C[N@H+](C)CCC#N)C2=O)o1 ZINC000414156609 438699130 /nfs/dbraw/zinc/69/91/30/438699130.db2.gz VAVJCVBYCIGXDB-WBMJQRKESA-N 1 2 334.376 0.561 20 30 ECEDLO Cc1ccc([C@]2(C)NC(=O)N(C[C@H](O)C[N@@H+](C)CCC#N)C2=O)o1 ZINC000414156609 438699133 /nfs/dbraw/zinc/69/91/33/438699133.db2.gz VAVJCVBYCIGXDB-WBMJQRKESA-N 1 2 334.376 0.561 20 30 ECEDLO COC(=O)c1cccc(OC[C@H](O)C[N@H+](C)CCC#N)c1[N+](=O)[O-] ZINC000414184171 438699260 /nfs/dbraw/zinc/69/92/60/438699260.db2.gz NQRMHFKQENOTLX-LLVKDONJSA-N 1 2 337.332 0.967 20 30 ECEDLO COC(=O)c1cccc(OC[C@H](O)C[N@@H+](C)CCC#N)c1[N+](=O)[O-] ZINC000414184171 438699263 /nfs/dbraw/zinc/69/92/63/438699263.db2.gz NQRMHFKQENOTLX-LLVKDONJSA-N 1 2 337.332 0.967 20 30 ECEDLO C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@@H](CCc2ccccc2)C1=O ZINC000414108715 438699394 /nfs/dbraw/zinc/69/93/94/438699394.db2.gz MIYQFSBQRQWHCL-CVEARBPZSA-N 1 2 344.415 0.746 20 30 ECEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@@H](CCc2ccccc2)C1=O ZINC000414108715 438699397 /nfs/dbraw/zinc/69/93/97/438699397.db2.gz MIYQFSBQRQWHCL-CVEARBPZSA-N 1 2 344.415 0.746 20 30 ECEDLO C[C@@H](C#N)CNC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495106729 438718903 /nfs/dbraw/zinc/71/89/03/438718903.db2.gz SDMZOJVBOBRIHE-QWHCGFSZSA-N 1 2 339.440 0.996 20 30 ECEDLO C[C@@H](C#N)CNC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495106729 438718904 /nfs/dbraw/zinc/71/89/04/438718904.db2.gz SDMZOJVBOBRIHE-QWHCGFSZSA-N 1 2 339.440 0.996 20 30 ECEDLO C=C(C)CCNC(=O)N1CC[NH+]([C@@H](C)C(=O)NCCCOC)CC1 ZINC000455303710 438741685 /nfs/dbraw/zinc/74/16/85/438741685.db2.gz ATMKWZDYFDYTOL-HNNXBMFYSA-N 1 2 340.468 0.821 20 30 ECEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1S(=O)(=O)CC1(C#N)CCC1 ZINC000554907084 438770803 /nfs/dbraw/zinc/77/08/03/438770803.db2.gz BAZMEQAHPWAJCJ-KBPBESRZSA-N 1 2 327.450 0.805 20 30 ECEDLO CC(C)Nc1nc(N[C@@H](C)c2cccc(C#N)c2)nc(NCCO)[nH+]1 ZINC000587989099 438811760 /nfs/dbraw/zinc/81/17/60/438811760.db2.gz ISUPXMQSDGPKNM-LBPRGKRZSA-N 1 2 341.419 0.407 20 30 ECEDLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@@H](C)c2cccc(C#N)c2)n1 ZINC000587989099 438811771 /nfs/dbraw/zinc/81/17/71/438811771.db2.gz ISUPXMQSDGPKNM-LBPRGKRZSA-N 1 2 341.419 0.407 20 30 ECEDLO CC(C)Nc1nc(NCCO)nc(N[C@@H](C)c2cccc(C#N)c2)[nH+]1 ZINC000587989099 438811778 /nfs/dbraw/zinc/81/17/78/438811778.db2.gz ISUPXMQSDGPKNM-LBPRGKRZSA-N 1 2 341.419 0.407 20 30 ECEDLO COC(=O)C[C@H]1COCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000588214380 438826011 /nfs/dbraw/zinc/82/60/11/438826011.db2.gz GYZSMIOTVPESDB-JKSUJKDBSA-N 1 2 348.399 0.756 20 30 ECEDLO COC(=O)C[C@H]1COCC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000588214380 438826017 /nfs/dbraw/zinc/82/60/17/438826017.db2.gz GYZSMIOTVPESDB-JKSUJKDBSA-N 1 2 348.399 0.756 20 30 ECEDLO COC(=O)c1cccc(CN(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000562322149 438851268 /nfs/dbraw/zinc/85/12/68/438851268.db2.gz QQNSKGSHOZZTBP-UHFFFAOYSA-N 1 2 332.404 0.916 20 30 ECEDLO Cn1cc[nH+]c1CN1CCN(C(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000589179256 438861500 /nfs/dbraw/zinc/86/15/00/438861500.db2.gz IKYGIIMSDHGDHB-UHFFFAOYSA-N 1 2 325.372 0.955 20 30 ECEDLO CC[C@H](CC#N)[NH2+]CC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000563363723 438862248 /nfs/dbraw/zinc/86/22/48/438862248.db2.gz ADFWRUGZGVGXFP-KGLIPLIRSA-N 1 2 329.466 0.940 20 30 ECEDLO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595842018 438870359 /nfs/dbraw/zinc/87/03/59/438870359.db2.gz XPQSKKOJFCNUAU-RHSMWYFYSA-N 1 2 328.420 0.749 20 30 ECEDLO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595842018 438870363 /nfs/dbraw/zinc/87/03/63/438870363.db2.gz XPQSKKOJFCNUAU-RHSMWYFYSA-N 1 2 328.420 0.749 20 30 ECEDLO N#Cc1cccc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)n1 ZINC000589387217 438870935 /nfs/dbraw/zinc/87/09/35/438870935.db2.gz ADUSJZYJXYEXEO-UHFFFAOYSA-N 1 2 326.360 0.734 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC(C[NH+]3CCOCC3)C2)c(F)c1 ZINC000601418344 438885036 /nfs/dbraw/zinc/88/50/36/438885036.db2.gz PRTUVZXRPRFIPT-UHFFFAOYSA-N 1 2 339.392 0.650 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2cc(C#N)cnn2)CC1 ZINC000596108304 438925662 /nfs/dbraw/zinc/92/56/62/438925662.db2.gz UEJJVODDRVTGAQ-CYBMUJFWSA-N 1 2 332.408 0.011 20 30 ECEDLO Cc1nc(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)ccc1C#N ZINC000590915658 438967952 /nfs/dbraw/zinc/96/79/52/438967952.db2.gz WMASFVTVZLBBGI-UHFFFAOYSA-N 1 2 344.415 0.873 20 30 ECEDLO C[C@H](O)CN(C)C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000590974747 438973631 /nfs/dbraw/zinc/97/36/31/438973631.db2.gz MMGAAAQCFJUEGQ-AWEZNQCLSA-N 1 2 344.415 0.042 20 30 ECEDLO N#Cc1ccc(CC(=O)N2CC[NH+](CCc3cnccn3)CC2)cn1 ZINC000601888148 438983752 /nfs/dbraw/zinc/98/37/52/438983752.db2.gz RRRHACCWWKNDJM-UHFFFAOYSA-N 1 2 336.399 0.673 20 30 ECEDLO C[C@H]([C@H](C)NC(=O)C(=O)Nc1cc(F)cc(C#N)c1)[NH+]1CCOCC1 ZINC000602025671 438999654 /nfs/dbraw/zinc/99/96/54/438999654.db2.gz ZULGKEGCCQMWLW-NWDGAFQWSA-N 1 2 348.378 0.861 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cc(F)cc(C#N)c2)[C@H](C)CO1 ZINC000602049999 439003123 /nfs/dbraw/zinc/00/31/23/439003123.db2.gz GKFIUPKQGSKNTG-VXGBXAGGSA-N 1 2 348.378 0.861 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cc(F)cc(C#N)c2)[C@H](C)CO1 ZINC000602049999 439003126 /nfs/dbraw/zinc/00/31/26/439003126.db2.gz GKFIUPKQGSKNTG-VXGBXAGGSA-N 1 2 348.378 0.861 20 30 ECEDLO C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)C2=O ZINC000566308111 439039481 /nfs/dbraw/zinc/03/94/81/439039481.db2.gz CPBURNNZKRYDAP-DQYPLSBCSA-N 1 2 349.435 0.447 20 30 ECEDLO N#CCn1c(C(=O)N[C@H](CO)C[NH+]2CCOCC2)cc2ccccc21 ZINC000591833116 439086266 /nfs/dbraw/zinc/08/62/66/439086266.db2.gz GPIWWJXABFRTIC-HNNXBMFYSA-N 1 2 342.399 0.588 20 30 ECEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc(CN2C(=O)CNC2=O)c1 ZINC000591773501 439082500 /nfs/dbraw/zinc/08/25/00/439082500.db2.gz BYQUBLCYJVNRNQ-OAHLLOKOSA-N 1 2 345.403 0.357 20 30 ECEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(CN2C(=O)CNC2=O)c1 ZINC000591773501 439082504 /nfs/dbraw/zinc/08/25/04/439082504.db2.gz BYQUBLCYJVNRNQ-OAHLLOKOSA-N 1 2 345.403 0.357 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(C)c(C(=O)OC)[nH]2)CC1 ZINC000602430417 439083369 /nfs/dbraw/zinc/08/33/69/439083369.db2.gz MBFZNDQCEJSENS-UHFFFAOYSA-N 1 2 334.420 0.530 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc2c(cn1)OCCO2 ZINC000602426181 439084370 /nfs/dbraw/zinc/08/43/70/439084370.db2.gz YKMXIFIJCRFNFB-UHFFFAOYSA-N 1 2 332.404 0.901 20 30 ECEDLO N#CCC(=O)N1CC[NH+](CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000522010417 439139888 /nfs/dbraw/zinc/13/98/88/439139888.db2.gz CNCDRMQJWQJXAH-UHFFFAOYSA-N 1 2 326.356 0.340 20 30 ECEDLO COC(=O)c1ccsc1N1CC[C@@H]([N@@H+]2CC[C@](O)(CC#N)C2)C1=O ZINC000592150771 439166272 /nfs/dbraw/zinc/16/62/72/439166272.db2.gz ITTSPYLXKPGKQT-MLGOLLRUSA-N 1 2 349.412 0.990 20 30 ECEDLO COC(=O)c1ccsc1N1CC[C@@H]([N@H+]2CC[C@](O)(CC#N)C2)C1=O ZINC000592150771 439166277 /nfs/dbraw/zinc/16/62/77/439166277.db2.gz ITTSPYLXKPGKQT-MLGOLLRUSA-N 1 2 349.412 0.990 20 30 ECEDLO N#CC[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000597910963 439197477 /nfs/dbraw/zinc/19/74/77/439197477.db2.gz DKQPEVZWWVXQAI-HZPDHXFCSA-N 1 2 348.447 0.319 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000603171964 439200915 /nfs/dbraw/zinc/20/09/15/439200915.db2.gz QSWPVFOOVUCBMH-INIZCTEOSA-N 1 2 334.424 0.207 20 30 ECEDLO CN(C(=O)Cn1cc(C[N@H+](C)CCO)nn1)C1(C#N)CCCCC1 ZINC000603182175 439203770 /nfs/dbraw/zinc/20/37/70/439203770.db2.gz XEORKAPXBSTJHG-UHFFFAOYSA-N 1 2 334.424 0.387 20 30 ECEDLO CN(C(=O)Cn1cc(C[N@@H+](C)CCO)nn1)C1(C#N)CCCCC1 ZINC000603182175 439203776 /nfs/dbraw/zinc/20/37/76/439203776.db2.gz XEORKAPXBSTJHG-UHFFFAOYSA-N 1 2 334.424 0.387 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC[N@@H+]1CCO ZINC000489659752 439237682 /nfs/dbraw/zinc/23/76/82/439237682.db2.gz VYALYYQNPZTHDU-NSHDSACASA-N 1 2 327.381 0.384 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC[N@H+]1CCO ZINC000489659752 439237686 /nfs/dbraw/zinc/23/76/86/439237686.db2.gz VYALYYQNPZTHDU-NSHDSACASA-N 1 2 327.381 0.384 20 30 ECEDLO CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592498188 439241617 /nfs/dbraw/zinc/24/16/17/439241617.db2.gz ZQUMRBVFZJKFDJ-CYBMUJFWSA-N 1 2 334.405 0.115 20 30 ECEDLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592498188 439241622 /nfs/dbraw/zinc/24/16/22/439241622.db2.gz ZQUMRBVFZJKFDJ-CYBMUJFWSA-N 1 2 334.405 0.115 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCN(C(=O)C3CC3)CC2(C)C)CC1 ZINC000490924035 439314166 /nfs/dbraw/zinc/31/41/66/439314166.db2.gz NOKIYZCXDOZFAJ-UHFFFAOYSA-N 1 2 346.475 0.097 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCN(C(=O)C3CC3)CC2(C)C)CC1 ZINC000490924035 439314169 /nfs/dbraw/zinc/31/41/69/439314169.db2.gz NOKIYZCXDOZFAJ-UHFFFAOYSA-N 1 2 346.475 0.097 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCN(C(=O)C3CC3)CC2(C)C)CC1 ZINC000490924035 439314175 /nfs/dbraw/zinc/31/41/75/439314175.db2.gz NOKIYZCXDOZFAJ-UHFFFAOYSA-N 1 2 346.475 0.097 20 30 ECEDLO O=C1CC[C@H]2C[N@H+](CC#CCN3C(=O)c4ccccc4C3=O)CCN12 ZINC000528432310 439336069 /nfs/dbraw/zinc/33/60/69/439336069.db2.gz PJEBJLIARDEBHR-AWEZNQCLSA-N 1 2 337.379 0.593 20 30 ECEDLO O=C1CC[C@H]2C[N@@H+](CC#CCN3C(=O)c4ccccc4C3=O)CCN12 ZINC000528432310 439336074 /nfs/dbraw/zinc/33/60/74/439336074.db2.gz PJEBJLIARDEBHR-AWEZNQCLSA-N 1 2 337.379 0.593 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000603876704 439286988 /nfs/dbraw/zinc/28/69/88/439286988.db2.gz LKRDUWXLODYGCW-UMVBOHGHSA-N 1 2 344.481 0.443 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000603876704 439286994 /nfs/dbraw/zinc/28/69/94/439286994.db2.gz LKRDUWXLODYGCW-UMVBOHGHSA-N 1 2 344.481 0.443 20 30 ECEDLO COCC(=O)NC1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000603882435 439287082 /nfs/dbraw/zinc/28/70/82/439287082.db2.gz MLHOCVUTJXTJOE-UHFFFAOYSA-N 1 2 330.388 0.724 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+](C)C[C@@H]2COc3ccccc3O2)CC1 ZINC000490760461 439295184 /nfs/dbraw/zinc/29/51/84/439295184.db2.gz LTIGPZHUKOCWRR-MRXNPFEDSA-N 1 2 343.427 0.536 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+](C)C[C@@H]2COc3ccccc3O2)CC1 ZINC000490760461 439295190 /nfs/dbraw/zinc/29/51/90/439295190.db2.gz LTIGPZHUKOCWRR-MRXNPFEDSA-N 1 2 343.427 0.536 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(CCC#N)Cc2ccccn2)CC1 ZINC000490761224 439295881 /nfs/dbraw/zinc/29/58/81/439295881.db2.gz SRPKOWHHCFOSEA-UHFFFAOYSA-N 1 2 325.416 0.575 20 30 ECEDLO N#CC1(NC(=O)C[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)CCC1 ZINC000598642895 439296924 /nfs/dbraw/zinc/29/69/24/439296924.db2.gz IRMUGQSURPZTRZ-CQSZACIVSA-N 1 2 333.413 0.808 20 30 ECEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCC2(C#N)CC2)CC1 ZINC000569063447 439299689 /nfs/dbraw/zinc/29/96/89/439299689.db2.gz OFWZPZLUHFBIGO-AWEZNQCLSA-N 1 2 333.436 0.628 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000491165081 439342758 /nfs/dbraw/zinc/34/27/58/439342758.db2.gz IKKKRWHTHJPAJW-UHFFFAOYSA-N 1 2 326.400 0.304 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CC1(Cn2cnnn2)CCCCC1 ZINC000593153354 439350102 /nfs/dbraw/zinc/35/01/02/439350102.db2.gz MBNKIKJIVABCAH-OAHLLOKOSA-N 1 2 333.440 0.974 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](Cc2cccc(NC(C)=O)c2)CC1 ZINC000491210134 439350855 /nfs/dbraw/zinc/35/08/55/439350855.db2.gz QIWWKMFRYJARNY-UHFFFAOYSA-N 1 2 328.416 0.512 20 30 ECEDLO Cc1c(-c2cc(C[NH+]3CCN(C(=O)CC#N)CC3)on2)cnn1C ZINC000582733490 439373001 /nfs/dbraw/zinc/37/30/01/439373001.db2.gz DMHVQUDTCXRSSI-UHFFFAOYSA-N 1 2 328.376 0.941 20 30 ECEDLO C#CCN(C(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)C1CCCC1 ZINC000491371683 439373510 /nfs/dbraw/zinc/37/35/10/439373510.db2.gz GHDANIYEWYJUQC-UHFFFAOYSA-N 1 2 349.475 0.960 20 30 ECEDLO C#CCN(C(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)C1CCCC1 ZINC000491371683 439373515 /nfs/dbraw/zinc/37/35/15/439373515.db2.gz GHDANIYEWYJUQC-UHFFFAOYSA-N 1 2 349.475 0.960 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000491507508 439397359 /nfs/dbraw/zinc/39/73/59/439397359.db2.gz VPVQPQYLQBRRSA-UHFFFAOYSA-N 1 2 342.447 0.357 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCCCC(=O)C2)CC1 ZINC000491514763 439397420 /nfs/dbraw/zinc/39/74/20/439397420.db2.gz JYHQJYYDWCHPGN-INIZCTEOSA-N 1 2 347.459 0.810 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCCCC(=O)C2)CC1 ZINC000491514763 439397425 /nfs/dbraw/zinc/39/74/25/439397425.db2.gz JYHQJYYDWCHPGN-INIZCTEOSA-N 1 2 347.459 0.810 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(C(=O)OC)s2)CC1 ZINC000491555327 439406193 /nfs/dbraw/zinc/40/61/93/439406193.db2.gz QMWWARSXYWEPOS-LBPRGKRZSA-N 1 2 335.429 0.795 20 30 ECEDLO C#CCn1ccc(CN(CCOC)C(=O)NCc2c[nH+]cn2C)n1 ZINC000491426163 439382460 /nfs/dbraw/zinc/38/24/60/439382460.db2.gz DUNABXVVPABDBL-UHFFFAOYSA-N 1 2 330.392 0.608 20 30 ECEDLO CC[C@@H](C)[C@H](NC(=O)[C@@H](C#N)CC)C(=O)NCC[NH+]1CCOCC1 ZINC000593461539 439385157 /nfs/dbraw/zinc/38/51/57/439385157.db2.gz QVSAWSVQPIOOSD-KFWWJZLASA-N 1 2 338.452 0.515 20 30 ECEDLO N#CCC(=O)N1CC[NH+](C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000570056369 439387029 /nfs/dbraw/zinc/38/70/29/439387029.db2.gz FTQOAHAOLRDWRX-CQSZACIVSA-N 1 2 342.399 0.965 20 30 ECEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000570048492 439387061 /nfs/dbraw/zinc/38/70/61/439387061.db2.gz WZHLDJSQQXSDGL-CYBMUJFWSA-N 1 2 338.389 0.980 20 30 ECEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000570048492 439387069 /nfs/dbraw/zinc/38/70/69/439387069.db2.gz WZHLDJSQQXSDGL-CYBMUJFWSA-N 1 2 338.389 0.980 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)c3ccc(OC)cc3C2=O)CC1 ZINC000491616478 439411976 /nfs/dbraw/zinc/41/19/76/439411976.db2.gz AYGZOXORPCIJGM-UHFFFAOYSA-N 1 2 341.367 0.069 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(CCO)c2ccccc2OC)CC1 ZINC000491618050 439412663 /nfs/dbraw/zinc/41/26/63/439412663.db2.gz CIRCEIAMMVRCIL-UHFFFAOYSA-N 1 2 331.416 0.271 20 30 ECEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2ncncc2C#N)CC1 ZINC000583049681 439414276 /nfs/dbraw/zinc/41/42/76/439414276.db2.gz BRYFEAWVCSPILH-CQSZACIVSA-N 1 2 328.420 0.871 20 30 ECEDLO C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000491627072 439415064 /nfs/dbraw/zinc/41/50/64/439415064.db2.gz JQLVXPPGMRQHMO-HNNXBMFYSA-N 1 2 344.419 0.960 20 30 ECEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cc(=O)n3nccc3[nH]2)n1 ZINC000491626330 439415558 /nfs/dbraw/zinc/41/55/58/439415558.db2.gz IVKJHDBPCJSOPP-UHFFFAOYSA-N 1 2 340.387 0.501 20 30 ECEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cc(=O)n3nccc3[nH]2)n1 ZINC000491626330 439415566 /nfs/dbraw/zinc/41/55/66/439415566.db2.gz IVKJHDBPCJSOPP-UHFFFAOYSA-N 1 2 340.387 0.501 20 30 ECEDLO C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000599293584 439421188 /nfs/dbraw/zinc/42/11/88/439421188.db2.gz ZZSUVYXQKYPTKJ-OCCSQVGLSA-N 1 2 326.418 0.663 20 30 ECEDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000599293584 439421195 /nfs/dbraw/zinc/42/11/95/439421195.db2.gz ZZSUVYXQKYPTKJ-OCCSQVGLSA-N 1 2 326.418 0.663 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCOC[C@H]2c2ccc(F)cc2)CC1 ZINC000491669627 439424789 /nfs/dbraw/zinc/42/47/89/439424789.db2.gz PVYBVPCJWXMKPN-SFHVURJKSA-N 1 2 345.418 0.976 20 30 ECEDLO COC(=O)[C@@H](COC(C)C)[N@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599322027 439432596 /nfs/dbraw/zinc/43/25/96/439432596.db2.gz WYJHYGUXFCRWQL-LSDHHAIUSA-N 1 2 342.436 0.956 20 30 ECEDLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599322027 439432601 /nfs/dbraw/zinc/43/26/01/439432601.db2.gz WYJHYGUXFCRWQL-LSDHHAIUSA-N 1 2 342.436 0.956 20 30 ECEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C(=O)N(CCc2ccc(OC)cc2)C1=O ZINC000491708816 439432789 /nfs/dbraw/zinc/43/27/89/439432789.db2.gz IGBUZJHSOGVHLD-CYBMUJFWSA-N 1 2 343.383 0.940 20 30 ECEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C(=O)N(CCc2ccc(OC)cc2)C1=O ZINC000491708816 439432794 /nfs/dbraw/zinc/43/27/94/439432794.db2.gz IGBUZJHSOGVHLD-CYBMUJFWSA-N 1 2 343.383 0.940 20 30 ECEDLO Cc1[nH]c(C#N)cc1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000529754188 439453952 /nfs/dbraw/zinc/45/39/52/439453952.db2.gz UPCVEOHENFAUMQ-QGZVFWFLSA-N 1 2 332.404 0.540 20 30 ECEDLO Cc1[nH]c(C#N)cc1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000529754188 439453958 /nfs/dbraw/zinc/45/39/58/439453958.db2.gz UPCVEOHENFAUMQ-QGZVFWFLSA-N 1 2 332.404 0.540 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)/C=C/c2cccc(C#N)c2)CC1 ZINC000491943276 439476192 /nfs/dbraw/zinc/47/61/92/439476192.db2.gz YZIOQICWCCOESB-VOTSOKGWSA-N 1 2 326.400 0.980 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(c3nccnn3)CC2)c([N+](=O)[O-])c1 ZINC000599512360 439497536 /nfs/dbraw/zinc/49/75/36/439497536.db2.gz IZDDDQAEQDFWJN-UHFFFAOYSA-N 1 2 325.332 0.974 20 30 ECEDLO Cc1nn(C)c(N2CC[NH+](CC(=O)N(C)CC3CC3)CC2)c1C#N ZINC000530465951 439499806 /nfs/dbraw/zinc/49/98/06/439499806.db2.gz SADLLNJTABXNPG-UHFFFAOYSA-N 1 2 330.436 0.591 20 30 ECEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000530670290 439502592 /nfs/dbraw/zinc/50/25/92/439502592.db2.gz QFNWXSPZQVXZLC-UHFFFAOYSA-N 1 2 328.416 0.771 20 30 ECEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000530670290 439502595 /nfs/dbraw/zinc/50/25/95/439502595.db2.gz QFNWXSPZQVXZLC-UHFFFAOYSA-N 1 2 328.416 0.771 20 30 ECEDLO C=CCCn1cc(C[N@H+]2CC[C@H](n3cc(C(=O)OC)nn3)C2)nn1 ZINC000593970366 439503560 /nfs/dbraw/zinc/50/35/60/439503560.db2.gz TVWQCICVCMMGPZ-ZDUSSCGKSA-N 1 2 331.380 0.679 20 30 ECEDLO C=CCCn1cc(C[N@@H+]2CC[C@H](n3cc(C(=O)OC)nn3)C2)nn1 ZINC000593970366 439503562 /nfs/dbraw/zinc/50/35/62/439503562.db2.gz TVWQCICVCMMGPZ-ZDUSSCGKSA-N 1 2 331.380 0.679 20 30 ECEDLO Cc1nn(C)c(N2CCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)c1C#N ZINC000492890324 439585655 /nfs/dbraw/zinc/58/56/55/439585655.db2.gz BJYSYKLEXOAMFS-ONEGZZNKSA-N 1 2 325.376 0.685 20 30 ECEDLO CCN1C(=O)[C@H]2C[N@@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)CCN2C1=O ZINC000610616015 439630533 /nfs/dbraw/zinc/63/05/33/439630533.db2.gz BICDKBFUAGMORG-KGLIPLIRSA-N 1 2 341.371 0.053 20 30 ECEDLO CCN1C(=O)[C@H]2C[N@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)CCN2C1=O ZINC000610616015 439630538 /nfs/dbraw/zinc/63/05/38/439630538.db2.gz BICDKBFUAGMORG-KGLIPLIRSA-N 1 2 341.371 0.053 20 30 ECEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000600419185 439653545 /nfs/dbraw/zinc/65/35/45/439653545.db2.gz FLXFGJIISJOLGC-LSDHHAIUSA-N 1 2 346.406 0.970 20 30 ECEDLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000600419185 439653547 /nfs/dbraw/zinc/65/35/47/439653547.db2.gz FLXFGJIISJOLGC-LSDHHAIUSA-N 1 2 346.406 0.970 20 30 ECEDLO C[C@@H](NC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C)c1cccc(C#N)c1 ZINC000587705481 439669776 /nfs/dbraw/zinc/66/97/76/439669776.db2.gz SAZVYHQGKARGRX-ZIAGYGMSSA-N 1 2 344.415 0.572 20 30 ECEDLO C[C@@H](NC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C)c1cccc(C#N)c1 ZINC000587705481 439669783 /nfs/dbraw/zinc/66/97/83/439669783.db2.gz SAZVYHQGKARGRX-ZIAGYGMSSA-N 1 2 344.415 0.572 20 30 ECEDLO COc1cc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)on1 ZINC000600561509 439677416 /nfs/dbraw/zinc/67/74/16/439677416.db2.gz OBVJFKYITMFFJB-UHFFFAOYSA-N 1 2 330.344 0.597 20 30 ECEDLO CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCN(CCC#N)CC2)c1 ZINC000611174448 439678279 /nfs/dbraw/zinc/67/82/79/439678279.db2.gz IWFFSQLOOWNIOK-CQSZACIVSA-N 1 2 343.431 0.904 20 30 ECEDLO COc1ccc(CNC(=O)C[NH+]2CCN(CCC#N)CC2)cc1OC ZINC000611175057 439678373 /nfs/dbraw/zinc/67/83/73/439678373.db2.gz RVXMXACXFNOEQT-UHFFFAOYSA-N 1 2 346.431 0.851 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000574132119 439685687 /nfs/dbraw/zinc/68/56/87/439685687.db2.gz WNUOVUBYAGQJHR-YCPHGPKFSA-N 1 2 341.477 0.837 20 30 ECEDLO Cc1ccc(C#N)nc1N1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000611398955 439695663 /nfs/dbraw/zinc/69/56/63/439695663.db2.gz DRHCONIHRQWGRS-UHFFFAOYSA-N 1 2 329.404 0.243 20 30 ECEDLO C[C@@]1(C#N)CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000612370901 439696298 /nfs/dbraw/zinc/69/62/98/439696298.db2.gz CVYNPSYETFMJJM-YJBOKZPZSA-N 1 2 348.447 0.319 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000613751962 439762985 /nfs/dbraw/zinc/76/29/85/439762985.db2.gz SQYGTQBXNYVUCO-CVEARBPZSA-N 1 2 345.447 0.980 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000613751962 439762986 /nfs/dbraw/zinc/76/29/86/439762986.db2.gz SQYGTQBXNYVUCO-CVEARBPZSA-N 1 2 345.447 0.980 20 30 ECEDLO C[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000616425565 439817387 /nfs/dbraw/zinc/81/73/87/439817387.db2.gz SCARDCPWARIACN-NHYWBVRUSA-N 1 2 341.408 0.836 20 30 ECEDLO C[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000616425565 439817388 /nfs/dbraw/zinc/81/73/88/439817388.db2.gz SCARDCPWARIACN-NHYWBVRUSA-N 1 2 341.408 0.836 20 30 ECEDLO C=CC(C)(C)CCNC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000636673535 439989034 /nfs/dbraw/zinc/98/90/34/439989034.db2.gz UUPWGKVVCIAXCX-ZIAGYGMSSA-N 1 2 325.453 0.930 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(=O)[nH]c3cccnc32)CC1 ZINC000663359739 440059386 /nfs/dbraw/zinc/05/93/86/440059386.db2.gz ITVFYODJYFMYBV-UHFFFAOYSA-N 1 2 327.388 0.760 20 30 ECEDLO CC#CC[C@@H](CO)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000645114456 440751489 /nfs/dbraw/zinc/75/14/89/440751489.db2.gz FZRHXRSBEOPXJZ-ROUUACIJSA-N 1 2 345.443 0.961 20 30 ECEDLO CC#CC[C@@H](CO)NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000645114456 440751491 /nfs/dbraw/zinc/75/14/91/440751491.db2.gz FZRHXRSBEOPXJZ-ROUUACIJSA-N 1 2 345.443 0.961 20 30 ECEDLO C=CCOCCCNC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000661013048 440777898 /nfs/dbraw/zinc/77/78/98/440777898.db2.gz VUVSQDRNXJPDAJ-AWEZNQCLSA-N 1 2 349.435 0.803 20 30 ECEDLO C=CCCn1cc(C[NH2+][C@H]2CCCN(Cc3nccn3C)C2=O)nn1 ZINC000657433082 441005374 /nfs/dbraw/zinc/00/53/74/441005374.db2.gz UTTLWFQLVORXLL-HNNXBMFYSA-N 1 2 343.435 0.869 20 30 ECEDLO Cc1cc(C#N)cnc1C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000559949239 322227312 /nfs/dbraw/zinc/22/73/12/322227312.db2.gz HMWKJFSMTVPHOA-UHFFFAOYSA-N 1 2 325.376 0.311 20 30 ECEDLO CN1CC[NH+](CCCCNS(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000561476616 322260954 /nfs/dbraw/zinc/26/09/54/322260954.db2.gz FBHGTVBXDIGYHC-UHFFFAOYSA-N 1 2 326.422 0.457 20 30 ECEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)cc1C#N ZINC000563897629 322351674 /nfs/dbraw/zinc/35/16/74/322351674.db2.gz RSSFWACCCWMPIB-MRXNPFEDSA-N 1 2 348.428 0.567 20 30 ECEDLO N#Cc1ccncc1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000565457332 322457456 /nfs/dbraw/zinc/45/74/56/322457456.db2.gz XZPSSWSHAJPHHX-UHFFFAOYSA-N 1 2 341.415 0.627 20 30 ECEDLO Cn1cc(CC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)cn1 ZINC000328920376 546010180 /nfs/dbraw/zinc/01/01/80/546010180.db2.gz LVIJSGRRCBZKEZ-UHFFFAOYSA-N 1 2 333.436 0.863 20 30 ECEDLO O=C(NC[C@H](O)C[NH+]1CCOCC1)Nc1cnc2c(c1)CCCC2 ZINC000329489687 546024889 /nfs/dbraw/zinc/02/48/89/546024889.db2.gz YMVDXXSRGMWUBR-HNNXBMFYSA-N 1 2 334.420 0.979 20 30 ECEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCOC3(CCOCC3)C2)C1 ZINC000330178127 546040689 /nfs/dbraw/zinc/04/06/89/546040689.db2.gz LHZSRRZTSHDBNE-OAHLLOKOSA-N 1 2 339.436 0.835 20 30 ECEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCOC3(CCOCC3)C2)C1 ZINC000330178127 546040693 /nfs/dbraw/zinc/04/06/93/546040693.db2.gz LHZSRRZTSHDBNE-OAHLLOKOSA-N 1 2 339.436 0.835 20 30 ECEDLO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCOC3(CCOCC3)C2)C1 ZINC000330178126 546040745 /nfs/dbraw/zinc/04/07/45/546040745.db2.gz LHZSRRZTSHDBNE-HNNXBMFYSA-N 1 2 339.436 0.835 20 30 ECEDLO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCOC3(CCOCC3)C2)C1 ZINC000330178126 546040747 /nfs/dbraw/zinc/04/07/47/546040747.db2.gz LHZSRRZTSHDBNE-HNNXBMFYSA-N 1 2 339.436 0.835 20 30 ECEDLO Cc1nnc([C@H]2CCC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C2)[nH]1 ZINC000330727396 546044561 /nfs/dbraw/zinc/04/45/61/546044561.db2.gz IFTOEMBBEHMDTR-VIFPVBQESA-N 1 2 348.329 0.885 20 30 ECEDLO Cc1nnc([C@H]2CCC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C2)[nH]1 ZINC000330727396 546044564 /nfs/dbraw/zinc/04/45/64/546044564.db2.gz IFTOEMBBEHMDTR-VIFPVBQESA-N 1 2 348.329 0.885 20 30 ECEDLO Cc1n[nH]c([C@H]2CCC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C2)n1 ZINC000330727396 546044566 /nfs/dbraw/zinc/04/45/66/546044566.db2.gz IFTOEMBBEHMDTR-VIFPVBQESA-N 1 2 348.329 0.885 20 30 ECEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C2)n1 ZINC000330727396 546044569 /nfs/dbraw/zinc/04/45/69/546044569.db2.gz IFTOEMBBEHMDTR-VIFPVBQESA-N 1 2 348.329 0.885 20 30 ECEDLO Cc1nc([C@H]2CCC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C2)n[nH]1 ZINC000330727396 546044572 /nfs/dbraw/zinc/04/45/72/546044572.db2.gz IFTOEMBBEHMDTR-VIFPVBQESA-N 1 2 348.329 0.885 20 30 ECEDLO Cc1nc([C@H]2CCC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C2)n[nH]1 ZINC000330727396 546044574 /nfs/dbraw/zinc/04/45/74/546044574.db2.gz IFTOEMBBEHMDTR-VIFPVBQESA-N 1 2 348.329 0.885 20 30 ECEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCOC[C@]23CCOC3)cc1 ZINC000619655609 546354967 /nfs/dbraw/zinc/35/49/67/546354967.db2.gz PWOLBBKQYPSIRR-FUHWJXTLSA-N 1 2 332.400 0.984 20 30 ECEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCOC[C@]23CCOC3)cc1 ZINC000619655609 546354969 /nfs/dbraw/zinc/35/49/69/546354969.db2.gz PWOLBBKQYPSIRR-FUHWJXTLSA-N 1 2 332.400 0.984 20 30 ECEDLO C=CCN(C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1)[C@H]1CCS(=O)(=O)C1 ZINC000624489991 546929089 /nfs/dbraw/zinc/92/90/89/546929089.db2.gz KEPPSXUUMXAJBG-KGLIPLIRSA-N 1 2 337.445 0.956 20 30 ECEDLO C=CC[C@@H](CO)NC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000624928417 546992863 /nfs/dbraw/zinc/99/28/63/546992863.db2.gz BLFYUELKCHTXBT-JKSUJKDBSA-N 1 2 334.420 0.519 20 30 ECEDLO C=CC[C@@H](CO)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000624928417 546992866 /nfs/dbraw/zinc/99/28/66/546992866.db2.gz BLFYUELKCHTXBT-JKSUJKDBSA-N 1 2 334.420 0.519 20 30 ECEDLO CC[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)CC(=O)N(C)C ZINC000625081717 547018640 /nfs/dbraw/zinc/01/86/40/547018640.db2.gz TZVRVHKFBHSCMU-UHFFFAOYSA-N 1 2 327.384 0.696 20 30 ECEDLO CC[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)CC(=O)N(C)C ZINC000625081717 547018644 /nfs/dbraw/zinc/01/86/44/547018644.db2.gz TZVRVHKFBHSCMU-UHFFFAOYSA-N 1 2 327.384 0.696 20 30 ECEDLO NS(=O)(=O)NC1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000626035332 547275456 /nfs/dbraw/zinc/27/54/56/547275456.db2.gz LALGYQHZUGSPFK-UHFFFAOYSA-N 1 2 327.837 0.949 20 30 ECEDLO C=CCCOCCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000636983459 547391769 /nfs/dbraw/zinc/39/17/69/547391769.db2.gz IYUYKCUZYPEXFD-QGZVFWFLSA-N 1 2 341.452 0.494 20 30 ECEDLO C=CCCOCCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000636983459 547391776 /nfs/dbraw/zinc/39/17/76/547391776.db2.gz IYUYKCUZYPEXFD-QGZVFWFLSA-N 1 2 341.452 0.494 20 30 ECEDLO C=CCOCCCNC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000669188742 547848620 /nfs/dbraw/zinc/84/86/20/547848620.db2.gz FMZYSNXCQKFVTO-INIZCTEOSA-N 1 2 331.416 0.998 20 30 ECEDLO C=CCOCCCNC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000669188742 547848624 /nfs/dbraw/zinc/84/86/24/547848624.db2.gz FMZYSNXCQKFVTO-INIZCTEOSA-N 1 2 331.416 0.998 20 30 ECEDLO C=CCOCCNC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000679503508 549097905 /nfs/dbraw/zinc/09/79/05/549097905.db2.gz BGUWDIQLLDJAFJ-OAHLLOKOSA-N 1 2 338.452 0.527 20 30 ECEDLO C=CCOCCNC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000679648877 549114298 /nfs/dbraw/zinc/11/42/98/549114298.db2.gz OJQXNBFUSVUOAE-UHFFFAOYSA-N 1 2 340.445 0.954 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCC(=O)Nc3cc(F)ccc32)CC1 ZINC000749847131 579344060 /nfs/dbraw/zinc/34/40/60/579344060.db2.gz WSHKJHKEGURZRT-UHFFFAOYSA-N 1 2 344.390 0.752 20 30 ECEDLO Cn1c(C=NNC(=S)NCC[NH+]2CCOCC2)nc2ccccc21 ZINC000755499735 579434269 /nfs/dbraw/zinc/43/42/69/579434269.db2.gz SJIZYTYWZNRYFF-UHFFFAOYSA-N 1 2 346.460 0.704 20 30 ECEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000755955598 579442533 /nfs/dbraw/zinc/44/25/33/579442533.db2.gz HPGOUYDDSPTOLC-GYCJOSAFSA-N 1 2 349.456 0.768 20 30 ECEDLO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000758192308 579468463 /nfs/dbraw/zinc/46/84/63/579468463.db2.gz KUNNPWODAHKVKW-CABCVRRESA-N 1 2 346.431 0.849 20 30 ECEDLO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000758192308 579468465 /nfs/dbraw/zinc/46/84/65/579468465.db2.gz KUNNPWODAHKVKW-CABCVRRESA-N 1 2 346.431 0.849 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)nc1 ZINC000728858571 578291461 /nfs/dbraw/zinc/29/14/61/578291461.db2.gz SFENBMPVVOCKRY-UHFFFAOYSA-N 1 2 347.382 0.702 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CN(C)c2ccccc2)CC1 ZINC000729281712 578294914 /nfs/dbraw/zinc/29/49/14/578294914.db2.gz NBKLEZOZKVSDLV-UHFFFAOYSA-N 1 2 342.443 0.407 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CN(C)c2ccccc2)CC1 ZINC000729281712 578294915 /nfs/dbraw/zinc/29/49/15/578294915.db2.gz NBKLEZOZKVSDLV-UHFFFAOYSA-N 1 2 342.443 0.407 20 30 ECEDLO C[C@H]([C@H](C)NC(=O)NCCNc1ccc(C#N)cn1)[NH+]1CCOCC1 ZINC000729592078 578297198 /nfs/dbraw/zinc/29/71/98/578297198.db2.gz FNFDQSTVYYEKHQ-UONOGXRCSA-N 1 2 346.435 0.774 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000730099022 578303267 /nfs/dbraw/zinc/30/32/67/578303267.db2.gz WZECLYYXEPQSGY-INIZCTEOSA-N 1 2 343.431 0.978 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000730099022 578303268 /nfs/dbraw/zinc/30/32/68/578303268.db2.gz WZECLYYXEPQSGY-INIZCTEOSA-N 1 2 343.431 0.978 20 30 ECEDLO C#CCOc1ccc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000731124947 578310516 /nfs/dbraw/zinc/31/05/16/578310516.db2.gz SENQWTJOAHRORX-AWEZNQCLSA-N 1 2 345.399 0.474 20 30 ECEDLO C#CCNC(=O)COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000731248457 578311928 /nfs/dbraw/zinc/31/19/28/578311928.db2.gz OFOVYXDFVCYJMI-QGZVFWFLSA-N 1 2 330.384 0.477 20 30 ECEDLO C#CCNC(=O)C[N@@H+](CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000731846575 578315728 /nfs/dbraw/zinc/31/57/28/578315728.db2.gz JOJGYYNPKVMLFH-UHFFFAOYSA-N 1 2 326.400 0.475 20 30 ECEDLO C#CCNC(=O)C[N@H+](CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000731846575 578315729 /nfs/dbraw/zinc/31/57/29/578315729.db2.gz JOJGYYNPKVMLFH-UHFFFAOYSA-N 1 2 326.400 0.475 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 ZINC000732052527 578318570 /nfs/dbraw/zinc/31/85/70/578318570.db2.gz NCFYDHTXAUJOTA-AWEZNQCLSA-N 1 2 335.429 0.939 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 ZINC000732052527 578318571 /nfs/dbraw/zinc/31/85/71/578318571.db2.gz NCFYDHTXAUJOTA-AWEZNQCLSA-N 1 2 335.429 0.939 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2ccc(N3NC(=O)CCC3=O)cc2)CC1 ZINC000733161585 578333199 /nfs/dbraw/zinc/33/31/99/578333199.db2.gz NCTGSIILVNELOW-UHFFFAOYSA-N 1 2 340.383 0.236 20 30 ECEDLO C[NH+]1CCN(S(=O)(=O)c2cccnc2N=NC2CCOC2)CC1 ZINC000734751147 578368086 /nfs/dbraw/zinc/36/80/86/578368086.db2.gz LRJPZMOXAOTBMN-UHFFFAOYSA-N 1 2 339.421 0.206 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@H](C(F)(F)F)OC[C@@H]2C)CC1 ZINC000796307452 578624335 /nfs/dbraw/zinc/62/43/35/578624335.db2.gz KTLUQRNGSXQOBP-QWHCGFSZSA-N 1 2 333.354 0.415 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)c1 ZINC000798297137 578642861 /nfs/dbraw/zinc/64/28/61/578642861.db2.gz DFCMHVIESUMXBD-HNNXBMFYSA-N 1 2 340.427 0.832 20 30 ECEDLO N#Cc1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)nc1 ZINC000780647290 578698516 /nfs/dbraw/zinc/69/85/16/578698516.db2.gz BOZQAFHYKACZNY-INIZCTEOSA-N 1 2 329.404 0.959 20 30 ECEDLO N#CCCNC(=O)C[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000782053470 578719567 /nfs/dbraw/zinc/71/95/67/578719567.db2.gz NLOKKNSYZRPSKS-CQSZACIVSA-N 1 2 342.465 0.343 20 30 ECEDLO N#CCCNC(=O)C[N@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000782053470 578719568 /nfs/dbraw/zinc/71/95/68/578719568.db2.gz NLOKKNSYZRPSKS-CQSZACIVSA-N 1 2 342.465 0.343 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=C1COCc2ccccc21 ZINC000782127570 578720375 /nfs/dbraw/zinc/72/03/75/578720375.db2.gz HIBQWWCIJPCQDI-UHFFFAOYSA-N 1 2 334.445 0.717 20 30 ECEDLO C=CCCOCCNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000786013321 578778711 /nfs/dbraw/zinc/77/87/11/578778711.db2.gz BXJDZOLGRFGTQP-UHFFFAOYSA-N 1 2 343.387 0.592 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCNc1ncccc1C#N ZINC000788904875 578845046 /nfs/dbraw/zinc/84/50/46/578845046.db2.gz KRYLYTPEAXDSGT-CQSZACIVSA-N 1 2 346.435 0.727 20 30 ECEDLO COC(=O)c1ncn(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000793589361 578931603 /nfs/dbraw/zinc/93/16/03/578931603.db2.gz GRIQJBYPLVLTSA-GFCCVEGCSA-N 1 2 328.332 0.442 20 30 ECEDLO COC(=O)c1ncn(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000793589361 578931604 /nfs/dbraw/zinc/93/16/04/578931604.db2.gz GRIQJBYPLVLTSA-GFCCVEGCSA-N 1 2 328.332 0.442 20 30 ECEDLO COC(=O)[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793590028 578931611 /nfs/dbraw/zinc/93/16/11/578931611.db2.gz KLUKNNKHNUIUKW-KGLIPLIRSA-N 1 2 344.371 0.385 20 30 ECEDLO COC(=O)[C@@H]1CC(=O)N(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793590028 578931612 /nfs/dbraw/zinc/93/16/12/578931612.db2.gz KLUKNNKHNUIUKW-KGLIPLIRSA-N 1 2 344.371 0.385 20 30 ECEDLO O=C1N=C(N[NH+]=Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)NC1=O ZINC000765595229 579069675 /nfs/dbraw/zinc/06/96/75/579069675.db2.gz HOGKDEIURZSNQD-UHFFFAOYSA-N 1 2 344.331 0.521 20 30 ECEDLO C[N@H+](CC(=O)OCC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCSC1 ZINC000772050780 579199512 /nfs/dbraw/zinc/19/95/12/579199512.db2.gz YGVJPEMFFRMWCX-IUODEOHRSA-N 1 2 325.434 0.775 20 30 ECEDLO C[N@@H+](CC(=O)OCC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCSC1 ZINC000772050780 579199513 /nfs/dbraw/zinc/19/95/13/579199513.db2.gz YGVJPEMFFRMWCX-IUODEOHRSA-N 1 2 325.434 0.775 20 30 ECEDLO CC(C)(C#N)CS(=O)(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000776424037 579281346 /nfs/dbraw/zinc/28/13/46/579281346.db2.gz VIECGBMBJHXXRF-UHFFFAOYSA-N 1 2 338.433 0.887 20 30 ECEDLO C=CCn1c(=O)n(CC=C)c(=O)n(C[NH+]2CCC(C)(C#N)CC2)c1=O ZINC000779879664 579322155 /nfs/dbraw/zinc/32/21/55/579322155.db2.gz NRXQAQXAIVMHMU-UHFFFAOYSA-N 1 2 345.403 0.127 20 30 ECEDLO C[S@@](=O)CC[NH+]1CCN(C(=O)COc2ccc(C#N)cc2)CC1 ZINC000741290713 579771075 /nfs/dbraw/zinc/77/10/75/579771075.db2.gz ZAFRIVHIMHNWIQ-HSZRJFAPSA-N 1 2 335.429 0.460 20 30 ECEDLO COCc1ccc(C=NNC(=S)NCC[NH+]2CCOCC2)cc1 ZINC000741760478 579777135 /nfs/dbraw/zinc/77/71/35/579777135.db2.gz NKSKXWGXLCSNRX-UHFFFAOYSA-N 1 2 336.461 0.963 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000742799015 579792117 /nfs/dbraw/zinc/79/21/17/579792117.db2.gz SBMBUQYMOMYLKM-KGLIPLIRSA-N 1 2 329.404 0.048 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000742799015 579792118 /nfs/dbraw/zinc/79/21/18/579792118.db2.gz SBMBUQYMOMYLKM-KGLIPLIRSA-N 1 2 329.404 0.048 20 30 ECEDLO NC(C[NH+]1CCSCC1)=NOCC(=O)N1CCc2ccccc2C1 ZINC000121473357 588937748 /nfs/dbraw/zinc/93/77/48/588937748.db2.gz FROPJGBPWPPRAC-UHFFFAOYSA-N 1 2 348.472 0.909 20 30 ECEDLO C#CC[C@@H]1NC(=O)N(Cc2ccccc2C[NH+]2CCOCC2)C1=O ZINC000842235967 589023859 /nfs/dbraw/zinc/02/38/59/589023859.db2.gz OFXUYLVDFJDLMN-INIZCTEOSA-N 1 2 327.384 0.963 20 30 ECEDLO Cc1[nH]c([C@@H]2CCCN2c2c(C#N)c(=O)n(C)c(=O)n2C)[nH+]c1C ZINC000895192096 586168493 /nfs/dbraw/zinc/16/84/93/586168493.db2.gz FKIANYIONOOGQC-LBPRGKRZSA-N 1 2 328.376 0.637 20 30 ECEDLO COC(=O)c1ccc(NCC[N@@H+]2CCC3(C2)OCCO3)c(C#N)n1 ZINC000895253310 586172213 /nfs/dbraw/zinc/17/22/13/586172213.db2.gz AMYYFCHVGYYSEQ-UHFFFAOYSA-N 1 2 332.360 0.601 20 30 ECEDLO COC(=O)c1ccc(NCC[N@H+]2CCC3(C2)OCCO3)c(C#N)n1 ZINC000895253310 586172214 /nfs/dbraw/zinc/17/22/14/586172214.db2.gz AMYYFCHVGYYSEQ-UHFFFAOYSA-N 1 2 332.360 0.601 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CCO3)C1 ZINC000891608204 586180972 /nfs/dbraw/zinc/18/09/72/586180972.db2.gz YBFIOPXUFSVTAJ-HNNXBMFYSA-N 1 2 327.384 0.774 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CCO3)C1 ZINC000891608204 586180974 /nfs/dbraw/zinc/18/09/74/586180974.db2.gz YBFIOPXUFSVTAJ-HNNXBMFYSA-N 1 2 327.384 0.774 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000895916019 586212758 /nfs/dbraw/zinc/21/27/58/586212758.db2.gz SQRYSLKRJMJHLH-UKRRQHHQSA-N 1 2 337.445 0.988 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000896417562 586240424 /nfs/dbraw/zinc/24/04/24/586240424.db2.gz VIUPXOQMKAHMAI-QGZVFWFLSA-N 1 2 341.411 0.331 20 30 ECEDLO C#CCSCC(=O)O[C@@H]1C[C@@H]2C(=O)NCc3ccc[nH+]c3N2C1 ZINC000893286017 586321722 /nfs/dbraw/zinc/32/17/22/586321722.db2.gz IDCYDNIVMSWFOW-CHWSQXEVSA-N 1 2 331.397 0.568 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2c3c(nn2C)CCSC3)CC1 ZINC000893914054 586366757 /nfs/dbraw/zinc/36/67/57/586366757.db2.gz AVOSCBSESXUKQQ-UHFFFAOYSA-N 1 2 349.504 0.629 20 30 ECEDLO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2csc(C#N)c2)CC1 ZINC000894553667 586399923 /nfs/dbraw/zinc/39/99/23/586399923.db2.gz SJDIFHZZNKIUIP-UHFFFAOYSA-N 1 2 328.463 0.934 20 30 ECEDLO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2csc(C#N)c2)CC1 ZINC000894553667 586399926 /nfs/dbraw/zinc/39/99/26/586399926.db2.gz SJDIFHZZNKIUIP-UHFFFAOYSA-N 1 2 328.463 0.934 20 30 ECEDLO Cc1ccc(C(=O)/C=C/C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000900984301 586680813 /nfs/dbraw/zinc/68/08/13/586680813.db2.gz LXZWLCXLKKLVJT-OZSKJFCKSA-N 1 2 346.427 0.885 20 30 ECEDLO NC(=NOCCO[C@H]1CCOC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000902703430 586755068 /nfs/dbraw/zinc/75/50/68/586755068.db2.gz KJXMHBFSTPWBTD-KRWDZBQOSA-N 1 2 349.431 0.961 20 30 ECEDLO C#CCN1C(=O)C[C@@H]([N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1=O ZINC000905025169 586865805 /nfs/dbraw/zinc/86/58/05/586865805.db2.gz RGQFJRVTCLEVSN-QWHCGFSZSA-N 1 2 335.404 0.736 20 30 ECEDLO C#CCN1C(=O)C[C@@H]([N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1=O ZINC000905025169 586865807 /nfs/dbraw/zinc/86/58/07/586865807.db2.gz RGQFJRVTCLEVSN-QWHCGFSZSA-N 1 2 335.404 0.736 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 ZINC000800687480 586972044 /nfs/dbraw/zinc/97/20/44/586972044.db2.gz MHTKBOGKMHCCQH-HNNXBMFYSA-N 1 2 342.399 0.199 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 ZINC000800687480 586972046 /nfs/dbraw/zinc/97/20/46/586972046.db2.gz MHTKBOGKMHCCQH-HNNXBMFYSA-N 1 2 342.399 0.199 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2cccc(OCCOC)c2)CC1 ZINC000800871952 586975720 /nfs/dbraw/zinc/97/57/20/586975720.db2.gz MPRDHMQPNZCGGZ-UHFFFAOYSA-N 1 2 332.400 0.868 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CCCO1 ZINC000807695158 587134911 /nfs/dbraw/zinc/13/49/11/587134911.db2.gz RCVXCXXCVFTOQQ-KKUMJFAQSA-N 1 2 342.399 0.074 20 30 ECEDLO Cn1c(CC#N)nn(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1=S ZINC000808205555 587149093 /nfs/dbraw/zinc/14/90/93/587149093.db2.gz AUCWMVNHYWNQGZ-GFCCVEGCSA-N 1 2 334.449 0.919 20 30 ECEDLO Cn1c(CC#N)nn(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1=S ZINC000808205555 587149094 /nfs/dbraw/zinc/14/90/94/587149094.db2.gz AUCWMVNHYWNQGZ-GFCCVEGCSA-N 1 2 334.449 0.919 20 30 ECEDLO N#Cc1nc(F)ccc1OS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000808345081 587153401 /nfs/dbraw/zinc/15/34/01/587153401.db2.gz LZSRSAHFJOBESA-UHFFFAOYSA-N 1 2 329.353 0.523 20 30 ECEDLO N#CC[C@@H](O)C[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000809575506 587180606 /nfs/dbraw/zinc/18/06/06/587180606.db2.gz GIHOEWQIUDTDLK-UONOGXRCSA-N 1 2 341.408 0.843 20 30 ECEDLO N#CC[C@@H](O)C[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000809575506 587180607 /nfs/dbraw/zinc/18/06/07/587180607.db2.gz GIHOEWQIUDTDLK-UONOGXRCSA-N 1 2 341.408 0.843 20 30 ECEDLO C#Cc1ccccc1CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000810377185 587194320 /nfs/dbraw/zinc/19/43/20/587194320.db2.gz VGEBOHUHUIGRFQ-UHFFFAOYSA-N 1 2 348.468 0.836 20 30 ECEDLO C[C@@H](C(=O)O[C@H]1CCC[N@H+](Cc2ncccn2)C1)n1cnc(C#N)n1 ZINC000810741025 587202420 /nfs/dbraw/zinc/20/24/20/587202420.db2.gz VSDNIZFNCJRFMM-STQMWFEESA-N 1 2 341.375 0.709 20 30 ECEDLO C[C@@H](C(=O)O[C@H]1CCC[N@@H+](Cc2ncccn2)C1)n1cnc(C#N)n1 ZINC000810741025 587202422 /nfs/dbraw/zinc/20/24/22/587202422.db2.gz VSDNIZFNCJRFMM-STQMWFEESA-N 1 2 341.375 0.709 20 30 ECEDLO C#Cc1cccc(CNC(=O)C(=O)NCC[N@H+]2CCOC[C@@H]2C)c1 ZINC000817843760 587388928 /nfs/dbraw/zinc/38/89/28/587388928.db2.gz HRMBELCXYYXTBG-AWEZNQCLSA-N 1 2 329.400 0.121 20 30 ECEDLO C#Cc1cccc(CNC(=O)C(=O)NCC[N@@H+]2CCOC[C@@H]2C)c1 ZINC000817843760 587388930 /nfs/dbraw/zinc/38/89/30/587388930.db2.gz HRMBELCXYYXTBG-AWEZNQCLSA-N 1 2 329.400 0.121 20 30 ECEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@@H]2CCCN(O)C2=O)cc1 ZINC000823160278 587706486 /nfs/dbraw/zinc/70/64/86/587706486.db2.gz CAARAZWDTYDNHO-HUUCEWRRSA-N 1 2 333.388 0.766 20 30 ECEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@@H]2CCCN(O)C2=O)cc1 ZINC000823160278 587706488 /nfs/dbraw/zinc/70/64/88/587706488.db2.gz CAARAZWDTYDNHO-HUUCEWRRSA-N 1 2 333.388 0.766 20 30 ECEDLO C#C[C@H](NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1)C1CCOCC1 ZINC000823186464 587708037 /nfs/dbraw/zinc/70/80/37/587708037.db2.gz MMZQALMVNYJKEN-KRWDZBQOSA-N 1 2 345.447 0.676 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)CC1 ZINC000823455278 587721460 /nfs/dbraw/zinc/72/14/60/587721460.db2.gz BORKCBHXDGLCKI-CABCVRRESA-N 1 2 336.436 0.132 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)CC1 ZINC000823455278 587721462 /nfs/dbraw/zinc/72/14/62/587721462.db2.gz BORKCBHXDGLCKI-CABCVRRESA-N 1 2 336.436 0.132 20 30 ECEDLO C#CCCN(CCOC)C(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000827347384 588113848 /nfs/dbraw/zinc/11/38/48/588113848.db2.gz PRQOFRZMXUFKQN-UHFFFAOYSA-N 1 2 342.399 0.757 20 30 ECEDLO C[S@@](=O)CC[NH+]1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)CC1 ZINC000828521997 588187040 /nfs/dbraw/zinc/18/70/40/588187040.db2.gz DUGMHYDYZUBVHG-HSZRJFAPSA-N 1 2 341.383 0.973 20 30 ECEDLO C[S@@](=O)CC[NH+]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000844306624 589106961 /nfs/dbraw/zinc/10/69/61/589106961.db2.gz BTEUUBPVAQWNRN-HSZRJFAPSA-N 1 2 336.417 0.963 20 30 ECEDLO C=C(C)CONC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000845590127 589164585 /nfs/dbraw/zinc/16/45/85/589164585.db2.gz NFMLHATXFAYQFX-UHFFFAOYSA-N 1 2 331.380 0.703 20 30 ECEDLO C#C[C@@H]1CCCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000847314196 589241577 /nfs/dbraw/zinc/24/15/77/589241577.db2.gz JYVRWFJPKZRLBE-CQSZACIVSA-N 1 2 341.477 0.550 20 30 ECEDLO C[NH+](C)CCNC(=O)C[C@H]1S/C(=N\CCc2ccccc2)NC1=O ZINC000106898499 589251463 /nfs/dbraw/zinc/25/14/63/589251463.db2.gz IIGTWWBONDRPND-CQSZACIVSA-N 1 2 348.472 0.885 20 30 ECEDLO C#C[C@H]1CCCN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)C1 ZINC000848749962 589309376 /nfs/dbraw/zinc/30/93/76/589309376.db2.gz JQWNTUGXEMWABI-HNNXBMFYSA-N 1 2 348.472 0.867 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(/C=C/C(=O)OC)o2)CC1 ZINC000848879861 589314738 /nfs/dbraw/zinc/31/47/38/589314738.db2.gz FONTZRLCNKQIGP-VOTSOKGWSA-N 1 2 347.415 0.886 20 30 ECEDLO C#CCOCC[N@@H+](C)Cc1nnnn1-c1cc(OC)cc(OC)c1 ZINC000851805222 589425069 /nfs/dbraw/zinc/42/50/69/589425069.db2.gz OTSIWHQKPKXHBS-UHFFFAOYSA-N 1 2 331.376 0.761 20 30 ECEDLO C#CCOCC[N@H+](C)Cc1nnnn1-c1cc(OC)cc(OC)c1 ZINC000851805222 589425070 /nfs/dbraw/zinc/42/50/70/589425070.db2.gz OTSIWHQKPKXHBS-UHFFFAOYSA-N 1 2 331.376 0.761 20 30 ECEDLO C=CC[N@@H+](C[C@@](O)(C(N)=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000851840844 589427702 /nfs/dbraw/zinc/42/77/02/589427702.db2.gz JNCNPMNAOWWFEJ-ZBFHGGJFSA-N 1 2 338.429 0.035 20 30 ECEDLO C=CC[N@H+](C[C@@](O)(C(N)=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000851840844 589427704 /nfs/dbraw/zinc/42/77/04/589427704.db2.gz JNCNPMNAOWWFEJ-ZBFHGGJFSA-N 1 2 338.429 0.035 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)NCCNc2ccc(C#N)cn2)[C@H](C)CO1 ZINC000853384328 589542300 /nfs/dbraw/zinc/54/23/00/589542300.db2.gz OFQMEXLJGWWONT-ZIAGYGMSSA-N 1 2 346.435 0.774 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCCNc2ccc(C#N)cn2)[C@H](C)CO1 ZINC000853384328 589542302 /nfs/dbraw/zinc/54/23/02/589542302.db2.gz OFQMEXLJGWWONT-ZIAGYGMSSA-N 1 2 346.435 0.774 20 30 ECEDLO COC(=O)CC[C@@]1(C)NC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853525155 589546174 /nfs/dbraw/zinc/54/61/74/589546174.db2.gz TXGBMBNKMCOAJR-MLGOLLRUSA-N 1 2 336.392 0.833 20 30 ECEDLO COC(=O)CC[C@@]1(C)NC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853525155 589546175 /nfs/dbraw/zinc/54/61/75/589546175.db2.gz TXGBMBNKMCOAJR-MLGOLLRUSA-N 1 2 336.392 0.833 20 30 ECEDLO C=C[C@@H](O)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000854484893 589589300 /nfs/dbraw/zinc/58/93/00/589589300.db2.gz QTBPFJXAQPRUGI-UONOGXRCSA-N 1 2 339.436 0.687 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)CC1 ZINC000112920917 589617737 /nfs/dbraw/zinc/61/77/37/589617737.db2.gz UUBKJINVLQIJQO-GFCCVEGCSA-N 1 2 347.337 0.927 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)CC1 ZINC000859226371 589809040 /nfs/dbraw/zinc/80/90/40/589809040.db2.gz XSPWWTSTBMFTJG-AESZEHBQSA-N 1 2 335.448 0.330 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)CC1 ZINC000859226371 589809043 /nfs/dbraw/zinc/80/90/43/589809043.db2.gz XSPWWTSTBMFTJG-AESZEHBQSA-N 1 2 335.448 0.330 20 30 ECEDLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)[C@]2(C#N)CCCOC2)cn1 ZINC000868135800 589876137 /nfs/dbraw/zinc/87/61/37/589876137.db2.gz CMMZAAIMMNQBCQ-KRWDZBQOSA-N 1 2 342.403 0.966 20 30 ECEDLO C#C[C@@H]1CCCN(C(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2[nH+]ccn2C)C1 ZINC000862140848 589923133 /nfs/dbraw/zinc/92/31/33/589923133.db2.gz BINUTKSQSJCVNF-KBMXLJTQSA-N 1 2 344.415 0.580 20 30 ECEDLO COCC(COC)N[NH+]=Cc1c(Cl)nc(N)nc1N1CCCC1 ZINC000863198020 589992611 /nfs/dbraw/zinc/99/26/11/589992611.db2.gz ZODBUQLFZPQHHJ-UHFFFAOYSA-N 1 2 342.831 0.897 20 30 ECEDLO COC(=O)CCN(CC#N)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000871342157 590060780 /nfs/dbraw/zinc/06/07/80/590060780.db2.gz HMLTXGGLERXBQX-MRXNPFEDSA-N 1 2 345.399 0.803 20 30 ECEDLO COC(=O)CCN(CC#N)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000871342157 590060782 /nfs/dbraw/zinc/06/07/82/590060782.db2.gz HMLTXGGLERXBQX-MRXNPFEDSA-N 1 2 345.399 0.803 20 30 ECEDLO C[N@H+](CC(=O)N(CCC#N)CCC#N)CC(C)(C)S(C)(=O)=O ZINC000123915811 590095429 /nfs/dbraw/zinc/09/54/29/590095429.db2.gz ASAASKDIKXGVKD-UHFFFAOYSA-N 1 2 328.438 0.397 20 30 ECEDLO C[N@@H+](CC(=O)N(CCC#N)CCC#N)CC(C)(C)S(C)(=O)=O ZINC000123915811 590095432 /nfs/dbraw/zinc/09/54/32/590095432.db2.gz ASAASKDIKXGVKD-UHFFFAOYSA-N 1 2 328.438 0.397 20 30 ECEDLO Oc1c(C=NNC(=S)NCC[NH+]2CCOCC2)ccc(F)c1F ZINC000872329108 590114823 /nfs/dbraw/zinc/11/48/23/590114823.db2.gz JZWHDXNSLDGRJS-UHFFFAOYSA-N 1 2 344.387 0.801 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccccc2CC#N)CC1 ZINC000865178397 590129953 /nfs/dbraw/zinc/12/99/53/590129953.db2.gz ZHUZZYLPFYZFCU-UHFFFAOYSA-N 1 2 338.411 0.650 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccccc2CC#N)CC1 ZINC000865178397 590129955 /nfs/dbraw/zinc/12/99/55/590129955.db2.gz ZHUZZYLPFYZFCU-UHFFFAOYSA-N 1 2 338.411 0.650 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2ncnc3[nH]c(Cl)cc32)CC1 ZINC000865420153 590144784 /nfs/dbraw/zinc/14/47/84/590144784.db2.gz MHZKJDXHFCUOJR-UHFFFAOYSA-N 1 2 334.811 0.987 20 30 ECEDLO CONC(=O)C1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000872791768 590149052 /nfs/dbraw/zinc/14/90/52/590149052.db2.gz NPOYXLDEJJOVOZ-UHFFFAOYSA-N 1 2 330.388 0.556 20 30 ECEDLO C#CCN(C(=O)c1ccn2cc(C)[nH+]c2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000874147809 590222703 /nfs/dbraw/zinc/22/27/03/590222703.db2.gz NGTLHFHPYKEPQD-CQSZACIVSA-N 1 2 331.397 0.905 20 30 ECEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000874707549 590249704 /nfs/dbraw/zinc/24/97/04/590249704.db2.gz MRYCVOZSDSZFQU-INIZCTEOSA-N 1 2 344.415 0.515 20 30 ECEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000874707549 590249705 /nfs/dbraw/zinc/24/97/05/590249705.db2.gz MRYCVOZSDSZFQU-INIZCTEOSA-N 1 2 344.415 0.515 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000875121010 590272667 /nfs/dbraw/zinc/27/26/67/590272667.db2.gz LBPNTQVZYAQIKB-QGZVFWFLSA-N 1 2 343.427 0.663 20 30 ECEDLO C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@H+](C)CCc1cccc(C#N)c1 ZINC000879434231 590311952 /nfs/dbraw/zinc/31/19/52/590311952.db2.gz GJNHBQCQZRPVIW-XJKSGUPXSA-N 1 2 349.456 0.724 20 30 ECEDLO C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879434231 590311954 /nfs/dbraw/zinc/31/19/54/590311954.db2.gz GJNHBQCQZRPVIW-XJKSGUPXSA-N 1 2 349.456 0.724 20 30 ECEDLO CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000875864143 590341197 /nfs/dbraw/zinc/34/11/97/590341197.db2.gz NSKIUVSYMBCBDZ-JKSUJKDBSA-N 1 2 332.404 0.564 20 30 ECEDLO CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000875864143 590341200 /nfs/dbraw/zinc/34/12/00/590341200.db2.gz NSKIUVSYMBCBDZ-JKSUJKDBSA-N 1 2 332.404 0.564 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(CC(=O)NC)Cc2ccccc2)CC1 ZINC000879753988 590341722 /nfs/dbraw/zinc/34/17/22/590341722.db2.gz IMXGOYMTDQUFFF-UHFFFAOYSA-N 1 2 342.443 0.012 20 30 ECEDLO C#C[C@@H]1COCCN1C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000875886310 590342291 /nfs/dbraw/zinc/34/22/91/590342291.db2.gz JATQONNLUKCWNB-SJORKVTESA-N 1 2 344.415 0.326 20 30 ECEDLO C#C[C@@H]1COCCN1C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000875886310 590342294 /nfs/dbraw/zinc/34/22/94/590342294.db2.gz JATQONNLUKCWNB-SJORKVTESA-N 1 2 344.415 0.326 20 30 ECEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1)C1CC1 ZINC000879764457 590343519 /nfs/dbraw/zinc/34/35/19/590343519.db2.gz XTJNPRUOEKHDHA-UONOGXRCSA-N 1 2 346.353 0.938 20 30 ECEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1)C1CC1 ZINC000879764457 590343521 /nfs/dbraw/zinc/34/35/21/590343521.db2.gz XTJNPRUOEKHDHA-UONOGXRCSA-N 1 2 346.353 0.938 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000880015325 590361423 /nfs/dbraw/zinc/36/14/23/590361423.db2.gz IEQXPBKYFRDUPC-YUELXQCFSA-N 1 2 327.450 0.504 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000880015325 590361424 /nfs/dbraw/zinc/36/14/24/590361424.db2.gz IEQXPBKYFRDUPC-YUELXQCFSA-N 1 2 327.450 0.504 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)/C(=C/c2ccccc2)n2nnnc2C)CC1 ZINC000128210640 590369942 /nfs/dbraw/zinc/36/99/42/590369942.db2.gz XLHNOBHRYHDMHQ-VKAVYKQESA-N 1 2 336.399 0.757 20 30 ECEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2c(C(=O)OCC)cnn2C)CC1 ZINC000880478818 590395210 /nfs/dbraw/zinc/39/52/10/590395210.db2.gz HBWOILVOJIHVNU-UHFFFAOYSA-N 1 2 348.403 0.386 20 30 ECEDLO COc1cc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)n(C)n1 ZINC000881250293 590443231 /nfs/dbraw/zinc/44/32/31/590443231.db2.gz ZPCZZRBRDRZBGH-UHFFFAOYSA-N 1 2 336.396 0.508 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)[C@@H](CCC)C(=O)OCC)CC1 ZINC000881811919 590476089 /nfs/dbraw/zinc/47/60/89/590476089.db2.gz VOVZROOSKOGOKC-AWEZNQCLSA-N 1 2 330.450 0.689 20 30 ECEDLO CC(C)C[N@H+](CCC#N)CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000878121917 590499808 /nfs/dbraw/zinc/49/98/08/590499808.db2.gz RAUYGHWMGGFNCV-UHFFFAOYSA-N 1 2 344.481 0.398 20 30 ECEDLO CC(C)C[N@@H+](CCC#N)CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000878121917 590499809 /nfs/dbraw/zinc/49/98/09/590499809.db2.gz RAUYGHWMGGFNCV-UHFFFAOYSA-N 1 2 344.481 0.398 20 30 ECEDLO C#CC[N@H+](C[C@@H]1CC2(CO1)CCOCC2)[C@H]1CCS(=O)(=O)C1 ZINC000878237706 590508388 /nfs/dbraw/zinc/50/83/88/590508388.db2.gz ORUBDBZGNFIBMY-GJZGRUSLSA-N 1 2 327.446 0.694 20 30 ECEDLO C#CC[N@@H+](C[C@@H]1CC2(CO1)CCOCC2)[C@H]1CCS(=O)(=O)C1 ZINC000878237706 590508390 /nfs/dbraw/zinc/50/83/90/590508390.db2.gz ORUBDBZGNFIBMY-GJZGRUSLSA-N 1 2 327.446 0.694 20 30 ECEDLO C=C(C)C[C@H](NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)C(=O)OCC ZINC000882645029 590568965 /nfs/dbraw/zinc/56/89/65/590568965.db2.gz IGCTYZHDUKJFJO-OLZOCXBDSA-N 1 2 334.438 0.134 20 30 ECEDLO C=C(C)C[C@H](NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)C(=O)OCC ZINC000882645029 590568968 /nfs/dbraw/zinc/56/89/68/590568968.db2.gz IGCTYZHDUKJFJO-OLZOCXBDSA-N 1 2 334.438 0.134 20 30 ECEDLO COC(=O)[C@H]1C[N@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)CCO1 ZINC000131137423 590608221 /nfs/dbraw/zinc/60/82/21/590608221.db2.gz YRCLINCLKNFJGR-OAHLLOKOSA-N 1 2 341.371 0.957 20 30 ECEDLO COC(=O)[C@H]1C[N@@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)CCO1 ZINC000131137423 590608222 /nfs/dbraw/zinc/60/82/22/590608222.db2.gz YRCLINCLKNFJGR-OAHLLOKOSA-N 1 2 341.371 0.957 20 30 ECEDLO CC[N@H+](CC(=O)NCCC#N)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000027349671 590612249 /nfs/dbraw/zinc/61/22/49/590612249.db2.gz HXUMFMAWRKWAGR-UHFFFAOYSA-N 1 2 346.387 0.748 20 30 ECEDLO CC[N@@H+](CC(=O)NCCC#N)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000027349671 590612250 /nfs/dbraw/zinc/61/22/50/590612250.db2.gz HXUMFMAWRKWAGR-UHFFFAOYSA-N 1 2 346.387 0.748 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)[C@H](CCC)C(=O)OCC)C1 ZINC000885509833 590728963 /nfs/dbraw/zinc/72/89/63/590728963.db2.gz XTRFESSKYNBRPT-UONOGXRCSA-N 1 2 330.450 0.735 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)[C@H](CCC)C(=O)OCC)C1 ZINC000885509833 590728966 /nfs/dbraw/zinc/72/89/66/590728966.db2.gz XTRFESSKYNBRPT-UONOGXRCSA-N 1 2 330.450 0.735 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC000885511732 590729741 /nfs/dbraw/zinc/72/97/41/590729741.db2.gz LWMOSMPDDDLJDF-ZDUSSCGKSA-N 1 2 347.444 0.653 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC000885511732 590729746 /nfs/dbraw/zinc/72/97/46/590729746.db2.gz LWMOSMPDDDLJDF-ZDUSSCGKSA-N 1 2 347.444 0.653 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1 ZINC000885512849 590730234 /nfs/dbraw/zinc/73/02/34/590730234.db2.gz YYSJXOLHDHYRHA-KGLIPLIRSA-N 1 2 338.433 0.220 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1 ZINC000885512849 590730236 /nfs/dbraw/zinc/73/02/36/590730236.db2.gz YYSJXOLHDHYRHA-KGLIPLIRSA-N 1 2 338.433 0.220 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cnc3onc(C)c3c2)C1 ZINC000885511321 590730324 /nfs/dbraw/zinc/73/03/24/590730324.db2.gz FVHOADTWIOUSHH-LBPRGKRZSA-N 1 2 334.401 0.907 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cnc3onc(C)c3c2)C1 ZINC000885511321 590730326 /nfs/dbraw/zinc/73/03/26/590730326.db2.gz FVHOADTWIOUSHH-LBPRGKRZSA-N 1 2 334.401 0.907 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCN(C(=O)C(C)C)CC1 ZINC000884096878 590739211 /nfs/dbraw/zinc/73/92/11/590739211.db2.gz LUGBPLYETDIGTN-ZDUSSCGKSA-N 1 2 325.409 0.150 20 30 ECEDLO CCS(=O)(=O)N1CC[N@H+](C[C@@H](O)CC2(C#N)CCC2)[C@H](C)C1 ZINC000886206393 590812968 /nfs/dbraw/zinc/81/29/68/590812968.db2.gz RXRSMRRFCDRASD-KGLIPLIRSA-N 1 2 329.466 0.787 20 30 ECEDLO CCS(=O)(=O)N1CC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)[C@H](C)C1 ZINC000886206393 590812972 /nfs/dbraw/zinc/81/29/72/590812972.db2.gz RXRSMRRFCDRASD-KGLIPLIRSA-N 1 2 329.466 0.787 20 30 ECEDLO COC(=O)[C@@H]1CCC(=NNC(=S)NCC[NH+]2CCOCC2)C1 ZINC000884381071 590817125 /nfs/dbraw/zinc/81/71/25/590817125.db2.gz UNCWJHOHTMUBNF-LLVKDONJSA-N 1 2 328.438 0.112 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](C(=O)OC)[C@H]2CCC[C@@H]21 ZINC000884440900 590828844 /nfs/dbraw/zinc/82/88/44/590828844.db2.gz URCQRILIEWYNMB-RFGFWPKPSA-N 1 2 338.404 0.623 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)NC1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC000948109474 611431230 /nfs/dbraw/zinc/43/12/30/611431230.db2.gz HHFYSAQRHUGGTN-LBPRGKRZSA-N 1 2 330.388 0.900 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCC[N@H+](Cc2nnnn2C)CC1 ZINC000948283390 611501083 /nfs/dbraw/zinc/50/10/83/611501083.db2.gz VEDWMWWEZRMKPS-CYBMUJFWSA-N 1 2 342.407 0.537 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCC[N@@H+](Cc2nnnn2C)CC1 ZINC000948283390 611501086 /nfs/dbraw/zinc/50/10/86/611501086.db2.gz VEDWMWWEZRMKPS-CYBMUJFWSA-N 1 2 342.407 0.537 20 30 ECEDLO CC[C@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1cccc(C#N)c1O ZINC000926799155 611568086 /nfs/dbraw/zinc/56/80/86/611568086.db2.gz ALGWZETWQOBYDP-YJBOKZPZSA-N 1 2 345.399 0.932 20 30 ECEDLO C#CCNC(=O)CN1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000931878526 611579973 /nfs/dbraw/zinc/57/99/73/611579973.db2.gz DLAJNICSVAUWBH-UHFFFAOYSA-N 1 2 325.372 0.070 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@]23CCO[C@@H]2CCCC3)CC1 ZINC000932039800 611594558 /nfs/dbraw/zinc/59/45/58/611594558.db2.gz XNQBGTXOUACFIH-VQIMIIECSA-N 1 2 347.459 0.619 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@]23CCO[C@@H]2CCCC3)CC1 ZINC000932039800 611594561 /nfs/dbraw/zinc/59/45/61/611594561.db2.gz XNQBGTXOUACFIH-VQIMIIECSA-N 1 2 347.459 0.619 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3ncon3)n2CCCOCC)CC1 ZINC000909364186 608663314 /nfs/dbraw/zinc/66/33/14/608663314.db2.gz ZCDBAVNUWGLJRQ-UHFFFAOYSA-N 1 2 345.407 0.510 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)[nH]1 ZINC000937464500 608795214 /nfs/dbraw/zinc/79/52/14/608795214.db2.gz YMZFSUIYELPEOP-ZDUSSCGKSA-N 1 2 340.387 0.963 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC000936985261 608848838 /nfs/dbraw/zinc/84/88/38/608848838.db2.gz KZUFMSZTGSDGNE-HOTGVXAUSA-N 1 2 343.431 0.109 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC000936985261 608848841 /nfs/dbraw/zinc/84/88/41/608848841.db2.gz KZUFMSZTGSDGNE-HOTGVXAUSA-N 1 2 343.431 0.109 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NCC#CCO ZINC000923782401 608941783 /nfs/dbraw/zinc/94/17/83/608941783.db2.gz MQOZDZVUIAKSDV-KRWDZBQOSA-N 1 2 345.443 0.915 20 30 ECEDLO C=CC[N@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@H]1C ZINC000947825669 608966553 /nfs/dbraw/zinc/96/65/53/608966553.db2.gz VDGCFDCGBYENFF-NEPJUHHUSA-N 1 2 330.392 0.226 20 30 ECEDLO C=CC[N@@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@H]1C ZINC000947825669 608966557 /nfs/dbraw/zinc/96/65/57/608966557.db2.gz VDGCFDCGBYENFF-NEPJUHHUSA-N 1 2 330.392 0.226 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)c1 ZINC000937795419 609089051 /nfs/dbraw/zinc/08/90/51/609089051.db2.gz APHUCSPGIOSLAN-LBPRGKRZSA-N 1 2 326.360 0.573 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3nccn3C)[C@H](C)C2)nn1 ZINC000947791308 611692391 /nfs/dbraw/zinc/69/23/91/611692391.db2.gz AWLRDCPAYRBPCU-ZIAGYGMSSA-N 1 2 343.435 0.981 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3nccn3C)[C@H](C)C2)nn1 ZINC000947791308 611692394 /nfs/dbraw/zinc/69/23/94/611692394.db2.gz AWLRDCPAYRBPCU-ZIAGYGMSSA-N 1 2 343.435 0.981 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3nnc(C)o3)[C@@H](C)C2)nn1 ZINC000947792847 611692960 /nfs/dbraw/zinc/69/29/60/611692960.db2.gz TYFHYBXVORUQIH-WCQYABFASA-N 1 2 345.407 0.938 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3nnc(C)o3)[C@@H](C)C2)nn1 ZINC000947792847 611692961 /nfs/dbraw/zinc/69/29/61/611692961.db2.gz TYFHYBXVORUQIH-WCQYABFASA-N 1 2 345.407 0.938 20 30 ECEDLO C[NH+](C)CC#CCNC(=O)CS(=O)(=O)CCCc1ccccc1 ZINC000913517080 609685110 /nfs/dbraw/zinc/68/51/10/609685110.db2.gz RKQNQHHPFGIZQN-UHFFFAOYSA-N 1 2 336.457 0.715 20 30 ECEDLO C[N@@H+]1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C[C@H]1CO ZINC000913542546 609689073 /nfs/dbraw/zinc/68/90/73/609689073.db2.gz MOPSVHKQPKCROQ-NSHDSACASA-N 1 2 328.294 0.721 20 30 ECEDLO C[N@H+]1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C[C@H]1CO ZINC000913542546 609689074 /nfs/dbraw/zinc/68/90/74/609689074.db2.gz MOPSVHKQPKCROQ-NSHDSACASA-N 1 2 328.294 0.721 20 30 ECEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc(C(=O)OC)o2)CC1 ZINC000921438493 609716671 /nfs/dbraw/zinc/71/66/71/609716671.db2.gz BWOOCFLVEUXZFW-UHFFFAOYSA-N 1 2 326.374 0.442 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000938631883 609909231 /nfs/dbraw/zinc/90/92/31/609909231.db2.gz YZMBXTZWYIUVDZ-STQMWFEESA-N 1 2 338.371 0.758 20 30 ECEDLO N#CCc1cccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000917061491 609959933 /nfs/dbraw/zinc/95/99/33/609959933.db2.gz KWQIJOMKBHWBDC-OAHLLOKOSA-N 1 2 334.445 0.421 20 30 ECEDLO N#CCc1cccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c1 ZINC000917061491 609959934 /nfs/dbraw/zinc/95/99/34/609959934.db2.gz KWQIJOMKBHWBDC-OAHLLOKOSA-N 1 2 334.445 0.421 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)nc1 ZINC000938779803 609995467 /nfs/dbraw/zinc/99/54/67/609995467.db2.gz IJFAZXIJUGWWFS-HNNXBMFYSA-N 1 2 337.383 0.633 20 30 ECEDLO Cc1[nH]nc(NC(=O)c2cccn2CC[NH+]2CCOCC2)c1C#N ZINC000912833233 610012742 /nfs/dbraw/zinc/01/27/42/610012742.db2.gz JNZDNWLVIVTAGN-UHFFFAOYSA-N 1 2 328.376 0.976 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000938940775 610052975 /nfs/dbraw/zinc/05/29/75/610052975.db2.gz OIAGXHRBCWLPHL-HNNXBMFYSA-N 1 2 340.387 0.846 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000938941404 610053200 /nfs/dbraw/zinc/05/32/00/610053200.db2.gz XVIWGOIZCMOBFX-CQSZACIVSA-N 1 2 340.387 0.846 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc(CC)o3)C2)nn1 ZINC000939276502 610146217 /nfs/dbraw/zinc/14/62/17/610146217.db2.gz FXSHFTRSFUWNGK-VXGBXAGGSA-N 1 2 345.407 0.660 20 30 ECEDLO C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnsn3)C2)nn1 ZINC000939292702 610149217 /nfs/dbraw/zinc/14/92/17/610149217.db2.gz MNXKNWYCRJBAOC-DGCLKSJQSA-N 1 2 347.448 0.956 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1 ZINC000939934099 610170710 /nfs/dbraw/zinc/17/07/10/610170710.db2.gz KFVXVZUVGMGUHW-JHJVBQTASA-N 1 2 338.371 0.744 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1 ZINC000939934099 610170712 /nfs/dbraw/zinc/17/07/12/610170712.db2.gz KFVXVZUVGMGUHW-JHJVBQTASA-N 1 2 338.371 0.744 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000939509647 610222012 /nfs/dbraw/zinc/22/20/12/610222012.db2.gz KAUXORUXOZNQMR-SYQHCUMBSA-N 1 2 332.404 0.506 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC000939616805 610249403 /nfs/dbraw/zinc/24/94/03/610249403.db2.gz RUCGVMCBJDKTDW-CZUORRHYSA-N 1 2 338.415 0.371 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCCN(C(=O)Cn3cc[nH+]c3)CC2)nc1 ZINC000941507822 610348661 /nfs/dbraw/zinc/34/86/61/610348661.db2.gz CWKOCDKXOZPFFB-UHFFFAOYSA-N 1 2 337.383 0.634 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnc4onc(C)c4c3)CC2)C1 ZINC000941509502 610350030 /nfs/dbraw/zinc/35/00/30/610350030.db2.gz NYFUWCSXVHWPGW-UHFFFAOYSA-N 1 2 339.399 0.606 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCc4cccnc43)CC2)C1 ZINC000941532196 610364130 /nfs/dbraw/zinc/36/41/30/610364130.db2.gz ROCAXYKTQZMSLC-GOSISDBHSA-N 1 2 338.455 0.963 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc4c([nH]3)CCCC4)CC2)C1 ZINC000941632964 610419218 /nfs/dbraw/zinc/41/92/18/610419218.db2.gz XYRIDUDTBMZQMS-UHFFFAOYSA-N 1 2 326.444 0.969 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cn3cc4ccccc4n3)CC2)C1 ZINC000941640822 610420081 /nfs/dbraw/zinc/42/00/81/610420081.db2.gz DWQDBQLZUGGGOX-UHFFFAOYSA-N 1 2 337.427 0.498 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3c(C)nn(CC)c3C)CC2)C1 ZINC000941639443 610424711 /nfs/dbraw/zinc/42/47/11/610424711.db2.gz SCQYDVMGNZCGJT-UHFFFAOYSA-N 1 2 343.475 0.524 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)Cc3cnn(C)c3)CC2)C1 ZINC000941623080 610427068 /nfs/dbraw/zinc/42/70/68/610427068.db2.gz TXKGCWCLDYYPBE-HNNXBMFYSA-N 1 2 329.448 0.060 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cccnc3OCC)CC2)C1 ZINC000941654186 610429457 /nfs/dbraw/zinc/42/94/57/610429457.db2.gz AIEKPJFQANQLHA-UHFFFAOYSA-N 1 2 342.443 0.946 20 30 ECEDLO C[C@H]1C[N@H+](Cc2cn(C)nn2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941929456 610566743 /nfs/dbraw/zinc/56/67/43/610566743.db2.gz MNHSAORWMPQRDR-SMDDNHRTSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@H]1C[N@@H+](Cc2cn(C)nn2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941929456 610566745 /nfs/dbraw/zinc/56/67/45/610566745.db2.gz MNHSAORWMPQRDR-SMDDNHRTSA-N 1 2 327.392 0.655 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000941219007 610604584 /nfs/dbraw/zinc/60/45/84/610604584.db2.gz QFOFTAUSTRCGHS-HUUCEWRRSA-N 1 2 326.400 0.576 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC000944161321 610759768 /nfs/dbraw/zinc/75/97/68/610759768.db2.gz DBRSBSKKDYHJPB-OAGGEKHMSA-N 1 2 346.431 0.972 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000944659783 611075899 /nfs/dbraw/zinc/07/58/99/611075899.db2.gz UYPVPVXOFGATMP-DGCLKSJQSA-N 1 2 341.371 0.680 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]2[C@@H](CCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000945941022 611162396 /nfs/dbraw/zinc/16/23/96/611162396.db2.gz BGQXIDURTMXAPN-GOEBONIOSA-N 1 2 326.400 0.815 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CCC[C@H]2NC(=O)Cc2c[nH]c[nH+]2)c[nH]1 ZINC000946325953 611219026 /nfs/dbraw/zinc/21/90/26/611219026.db2.gz OKDXBUGQHHYOJN-IAQYHMDHSA-N 1 2 340.387 0.867 20 30 ECEDLO C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](OC)C2)C1 ZINC000946438970 611267200 /nfs/dbraw/zinc/26/72/00/611267200.db2.gz LENJPORGGGHQMV-CHWSQXEVSA-N 1 2 332.404 0.651 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)Cn2cc[nH+]c2)[nH]1 ZINC000946240286 611314692 /nfs/dbraw/zinc/31/46/92/611314692.db2.gz NYCRHAWAZHUOBW-JSGCOSHPSA-N 1 2 340.387 0.798 20 30 ECEDLO C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCCS2(=O)=O)CC1 ZINC000921907796 611324924 /nfs/dbraw/zinc/32/49/24/611324924.db2.gz JWDKLLKUWJKVER-AWEZNQCLSA-N 1 2 327.450 0.351 20 30 ECEDLO Cn1ncc2c1ncnc2N1CC[NH+](Cc2cncc(C#N)c2)CC1 ZINC000929166002 611734773 /nfs/dbraw/zinc/73/47/73/611734773.db2.gz YXFZXASGWBXMOE-UHFFFAOYSA-N 1 2 334.387 0.952 20 30 ECEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cn(C)c(=O)n1C ZINC000948986639 611787192 /nfs/dbraw/zinc/78/71/92/611787192.db2.gz NDWBHKKIZCQNRQ-INIZCTEOSA-N 1 2 338.411 0.686 20 30 ECEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1cn(C)c(=O)n1C ZINC000948986639 611787195 /nfs/dbraw/zinc/78/71/95/611787195.db2.gz NDWBHKKIZCQNRQ-INIZCTEOSA-N 1 2 338.411 0.686 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000950745904 611881920 /nfs/dbraw/zinc/88/19/20/611881920.db2.gz AWGXNHNYVWHKSD-CABCVRRESA-N 1 2 326.400 0.576 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000950747222 611884131 /nfs/dbraw/zinc/88/41/31/611884131.db2.gz TWARCNHNSAPBHD-HUUCEWRRSA-N 1 2 326.400 0.576 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000950747220 611884521 /nfs/dbraw/zinc/88/45/21/611884521.db2.gz TWARCNHNSAPBHD-CABCVRRESA-N 1 2 326.400 0.576 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC000950780130 611906072 /nfs/dbraw/zinc/90/60/72/611906072.db2.gz LCKCIXGVATXCRC-BZUAXINKSA-N 1 2 349.394 0.920 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC000950780130 611906074 /nfs/dbraw/zinc/90/60/74/611906074.db2.gz LCKCIXGVATXCRC-BZUAXINKSA-N 1 2 349.394 0.920 20 30 ECEDLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000950798085 611911724 /nfs/dbraw/zinc/91/17/24/611911724.db2.gz VPKDXAZVRHMIGA-BXUZGUMPSA-N 1 2 326.360 0.360 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)nn1 ZINC000950854984 611947219 /nfs/dbraw/zinc/94/72/19/611947219.db2.gz VWMACJSINBSLAD-ZDUSSCGKSA-N 1 2 343.391 0.082 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000949387937 611960989 /nfs/dbraw/zinc/96/09/89/611960989.db2.gz WWUBXQGDXITLDZ-DZGCQCFKSA-N 1 2 343.431 0.960 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccnn3CCOC)CC2)C1 ZINC000949391442 611962288 /nfs/dbraw/zinc/96/22/88/611962288.db2.gz ATQUEMLNBMUPER-UHFFFAOYSA-N 1 2 346.431 0.470 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccnn3CCOC)CC2)C1 ZINC000949391442 611962290 /nfs/dbraw/zinc/96/22/90/611962290.db2.gz ATQUEMLNBMUPER-UHFFFAOYSA-N 1 2 346.431 0.470 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cn(C)nc3OC)CC2)C1 ZINC000949433377 611978506 /nfs/dbraw/zinc/97/85/06/611978506.db2.gz RCPNDWUNPTVECD-UHFFFAOYSA-N 1 2 332.404 0.369 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cn(C)nc3OC)CC2)C1 ZINC000949433377 611978508 /nfs/dbraw/zinc/97/85/08/611978508.db2.gz RCPNDWUNPTVECD-UHFFFAOYSA-N 1 2 332.404 0.369 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)CCc2[nH]cc[nH+]2)[nH]1 ZINC000949451982 611985727 /nfs/dbraw/zinc/98/57/27/611985727.db2.gz DMSZVNLRXQRPDS-GFCCVEGCSA-N 1 2 326.360 0.573 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000949453138 611986715 /nfs/dbraw/zinc/98/67/15/611986715.db2.gz ZBXKGIGMJQZUIU-CYBMUJFWSA-N 1 2 340.387 0.583 20 30 ECEDLO CC(C)(C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1)c1c[nH+]c[nH]1 ZINC000949491240 612004070 /nfs/dbraw/zinc/00/40/70/612004070.db2.gz NGVZZCSQUBLAGA-ZDUSSCGKSA-N 1 2 340.387 0.918 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCCN3C(C)=O)CC2)C1 ZINC000949534108 612023659 /nfs/dbraw/zinc/02/36/59/612023659.db2.gz PLCFZVWLKYSWLK-MRXNPFEDSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCCN3C(C)=O)CC2)C1 ZINC000949534108 612023660 /nfs/dbraw/zinc/02/36/60/612023660.db2.gz PLCFZVWLKYSWLK-MRXNPFEDSA-N 1 2 333.432 0.324 20 30 ECEDLO C=CCN1CC[C@H](N2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1=O ZINC000949554485 612030733 /nfs/dbraw/zinc/03/07/33/612030733.db2.gz KJFZEEAZEASWSO-HNNXBMFYSA-N 1 2 331.420 0.204 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)CCn2cc[nH+]c2)nc1 ZINC000951377803 612194457 /nfs/dbraw/zinc/19/44/57/612194457.db2.gz HLHOUNNEEXRKJJ-OAHLLOKOSA-N 1 2 337.383 0.680 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000953193666 612199302 /nfs/dbraw/zinc/19/93/02/612199302.db2.gz AHBQMFWMOGRLLL-DYVFJYSZSA-N 1 2 329.404 0.573 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000952065023 612209709 /nfs/dbraw/zinc/20/97/09/612209709.db2.gz QTMBKBBGCPRSPQ-CFVMTHIKSA-N 1 2 332.404 0.651 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C1 ZINC000953330676 612252344 /nfs/dbraw/zinc/25/23/44/612252344.db2.gz FKKBICLGOOPPBF-GJZGRUSLSA-N 1 2 326.400 0.815 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC000953401502 612311009 /nfs/dbraw/zinc/31/10/09/612311009.db2.gz CBKZTBVYTVXNBY-GJZGRUSLSA-N 1 2 326.400 0.815 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)C2CN(C(=O)CCc3c[nH]c[nH+]3)C2)c1 ZINC000955263483 612392533 /nfs/dbraw/zinc/39/25/33/612392533.db2.gz FPESVHHESCIBOY-UHFFFAOYSA-N 1 2 337.383 0.702 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)C2CN(C(=O)CCc3c[nH+]c[nH]3)C2)c1 ZINC000955263483 612392537 /nfs/dbraw/zinc/39/25/37/612392537.db2.gz FPESVHHESCIBOY-UHFFFAOYSA-N 1 2 337.383 0.702 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000954080068 612640123 /nfs/dbraw/zinc/64/01/23/612640123.db2.gz TXGSUYNVGZDIBK-UHFFFAOYSA-N 1 2 326.360 0.145 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCCN2C(=O)Cc2[nH]cc[nH+]2)nn1 ZINC000956178749 612761224 /nfs/dbraw/zinc/76/12/24/612761224.db2.gz GCRQBKVFYXCDBP-LBPRGKRZSA-N 1 2 343.391 0.151 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)COC)CC2)C1 ZINC000956579336 612916845 /nfs/dbraw/zinc/91/68/45/612916845.db2.gz XHDAZCJLLAKWOK-YJBOKZPZSA-N 1 2 337.464 0.980 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)Cc3ccc[nH]3)CC2)C1 ZINC000956594091 612921478 /nfs/dbraw/zinc/92/14/78/612921478.db2.gz KYBZUZWXIPPBBQ-HOCLYGCPSA-N 1 2 343.431 0.462 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001078037087 782191379 /nfs/dbraw/zinc/19/13/79/782191379.db2.gz GAMUGVXXTKLXHF-XEZPLFJOSA-N 1 2 334.420 0.944 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC(=O)NC1=O ZINC001039477799 735390406 /nfs/dbraw/zinc/39/04/06/735390406.db2.gz MQRPNQJZIDARRB-XQQFMLRXSA-N 1 2 339.823 0.857 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC(=O)NC1=O ZINC001039477799 735390407 /nfs/dbraw/zinc/39/04/07/735390407.db2.gz MQRPNQJZIDARRB-XQQFMLRXSA-N 1 2 339.823 0.857 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ncc3ccccn32)[C@@H](n2ccnn2)C1 ZINC001069977936 790270431 /nfs/dbraw/zinc/27/04/31/790270431.db2.gz NNBQXQYEADIRJB-CVEARBPZSA-N 1 2 349.398 0.604 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ncc3ccccn32)[C@@H](n2ccnn2)C1 ZINC001069977936 790270434 /nfs/dbraw/zinc/27/04/34/790270434.db2.gz NNBQXQYEADIRJB-CVEARBPZSA-N 1 2 349.398 0.604 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@]23CCC[C@H]2OCC3)[C@@H](n2ccnn2)C1 ZINC001069978073 790270713 /nfs/dbraw/zinc/27/07/13/790270713.db2.gz VJWLKYSGSZKRRZ-HPFXQQBRSA-N 1 2 343.431 0.602 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@]23CCC[C@H]2OCC3)[C@@H](n2ccnn2)C1 ZINC001069978073 790270715 /nfs/dbraw/zinc/27/07/15/790270715.db2.gz VJWLKYSGSZKRRZ-HPFXQQBRSA-N 1 2 343.431 0.602 20 30 ECEDLO C[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C)C1CCOCC1 ZINC001211497786 731735528 /nfs/dbraw/zinc/73/55/28/731735528.db2.gz QEMQMTFHLBEDDK-VNHYZAJKSA-N 1 2 336.436 0.125 20 30 ECEDLO C[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C)C1CCOCC1 ZINC001211497786 731735531 /nfs/dbraw/zinc/73/55/31/731735531.db2.gz QEMQMTFHLBEDDK-VNHYZAJKSA-N 1 2 336.436 0.125 20 30 ECEDLO Cn1nncc1C[N@@H+]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000973007434 738537244 /nfs/dbraw/zinc/53/72/44/738537244.db2.gz XPCSMZFBORNFTN-AWEZNQCLSA-N 1 2 327.392 0.655 20 30 ECEDLO Cn1nncc1C[N@H+]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000973007434 738537246 /nfs/dbraw/zinc/53/72/46/738537246.db2.gz XPCSMZFBORNFTN-AWEZNQCLSA-N 1 2 327.392 0.655 20 30 ECEDLO CC(C)C#CC(=O)N1CC[C@H]([NH+]2CCN(c3cc(F)ncn3)CC2)C1 ZINC001111965242 738564402 /nfs/dbraw/zinc/56/44/02/738564402.db2.gz VNBRPRFNJLNAOT-HNNXBMFYSA-N 1 2 345.422 0.998 20 30 ECEDLO COC(=O)[C@H]1CCS(=O)(=O)C12CN(c1[nH+]c(C)ccc1CC#N)C2 ZINC001167197529 733046197 /nfs/dbraw/zinc/04/61/97/733046197.db2.gz JLMDLKMHZRWFNE-CYBMUJFWSA-N 1 2 349.412 0.623 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H](C)C2C[NH+](CC(=O)NC3CC3)C2)c1 ZINC000970397762 733464751 /nfs/dbraw/zinc/46/47/51/733464751.db2.gz GQOXZSQCDIYTEJ-GFCCVEGCSA-N 1 2 326.400 0.392 20 30 ECEDLO C#CCOc1ncccc1C(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC000970511981 733631014 /nfs/dbraw/zinc/63/10/14/733631014.db2.gz RLXUOVUDELTGIF-CYBMUJFWSA-N 1 2 341.371 0.789 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC000970568979 733683361 /nfs/dbraw/zinc/68/33/61/733683361.db2.gz JCMDPGZNPFCUIY-CMPLNLGQSA-N 1 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C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3cn4cccc(C)c4n3)[C@H]2C1 ZINC001083224208 735038446 /nfs/dbraw/zinc/03/84/46/735038446.db2.gz LPXQQHZACVJSDO-DLBZAZTESA-N 1 2 338.411 0.730 20 30 ECEDLO CC(C)N(CCN(C)c1ccc(C#N)nn1)C(=O)Cc1c[nH+]cn1C ZINC001125551728 735275835 /nfs/dbraw/zinc/27/58/35/735275835.db2.gz UXCCYUPQQWTMNF-UHFFFAOYSA-N 1 2 341.419 0.998 20 30 ECEDLO N#CCN1C[C@H]2OCCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@H]2C1 ZINC001083238387 735547403 /nfs/dbraw/zinc/54/74/03/735547403.db2.gz AYVDVTIUHWZDET-DLBZAZTESA-N 1 2 337.383 0.921 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)c3[nH]nnc3C)C2)C1=O ZINC000972061253 735595159 /nfs/dbraw/zinc/59/51/59/735595159.db2.gz KXXRKLZPZHRLCZ-STQMWFEESA-N 1 2 332.408 0.046 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3[nH]nnc3C)C2)C1=O ZINC000972061253 735595163 /nfs/dbraw/zinc/59/51/63/735595163.db2.gz KXXRKLZPZHRLCZ-STQMWFEESA-N 1 2 332.408 0.046 20 30 ECEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972078353 735618192 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/nfs/dbraw/zinc/17/93/57/737179357.db2.gz GEQOAVWXGXNVNX-KBXCAEBGSA-N 1 2 328.416 0.451 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4n[nH]cc4C3)C2)C1 ZINC000972633622 737179359 /nfs/dbraw/zinc/17/93/59/737179359.db2.gz GEQOAVWXGXNVNX-KBXCAEBGSA-N 1 2 328.416 0.451 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C(N)=O)C2)C1 ZINC000972634794 737181218 /nfs/dbraw/zinc/18/12/18/737181218.db2.gz MWYKHXXCSKDNIU-YJBOKZPZSA-N 1 2 348.447 0.246 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C(N)=O)C2)C1 ZINC000972634794 737181220 /nfs/dbraw/zinc/18/12/20/737181220.db2.gz MWYKHXXCSKDNIU-YJBOKZPZSA-N 1 2 348.447 0.246 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)N3CCCC3=O)C2)C1 ZINC000972634934 737183256 /nfs/dbraw/zinc/18/32/56/737183256.db2.gz NWHUWGHBTZMPLZ-CRAIPNDOSA-N 1 2 335.448 0.877 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)N3CCCC3=O)C2)C1 ZINC000972634934 737183259 /nfs/dbraw/zinc/18/32/59/737183259.db2.gz NWHUWGHBTZMPLZ-CRAIPNDOSA-N 1 2 335.448 0.877 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4n[nH]nc4C3)C2)C1 ZINC000972638241 737197218 /nfs/dbraw/zinc/19/72/18/737197218.db2.gz IEEJNVMAPKZYCK-GUYCJALGSA-N 1 2 331.420 0.399 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4n[nH]nc4C3)C2)C1 ZINC000972638241 737197221 /nfs/dbraw/zinc/19/72/21/737197221.db2.gz IEEJNVMAPKZYCK-GUYCJALGSA-N 1 2 331.420 0.399 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ncc4n3CCCC4)C2)C1 ZINC000972683526 737373034 /nfs/dbraw/zinc/37/30/34/737373034.db2.gz NGIPPSXBACJFBX-SFHVURJKSA-N 1 2 328.416 0.770 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ncc4n3CCCC4)C2)C1 ZINC000972683526 737373037 /nfs/dbraw/zinc/37/30/37/737373037.db2.gz NGIPPSXBACJFBX-SFHVURJKSA-N 1 2 328.416 0.770 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3nc(C4CC4)nn3C)C2)C1 ZINC000972684744 737374947 /nfs/dbraw/zinc/37/49/47/737374947.db2.gz WUWUCRCQTPTWHG-GOSISDBHSA-N 1 2 345.447 0.724 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3nc(C4CC4)nn3C)C2)C1 ZINC000972684744 737374953 /nfs/dbraw/zinc/37/49/53/737374953.db2.gz WUWUCRCQTPTWHG-GOSISDBHSA-N 1 2 345.447 0.724 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)ccn3)C2)C1 ZINC000972707084 737518238 /nfs/dbraw/zinc/51/82/38/737518238.db2.gz GGCFYWDMVDMQOJ-QGZVFWFLSA-N 1 2 330.388 0.283 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)ccn3)C2)C1 ZINC000972707084 737518241 /nfs/dbraw/zinc/51/82/41/737518241.db2.gz GGCFYWDMVDMQOJ-QGZVFWFLSA-N 1 2 330.388 0.283 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[NH2+]Cc1cn([C@H]2CCN(C(C)=O)C2)nn1 ZINC001098587889 738111229 /nfs/dbraw/zinc/11/12/29/738111229.db2.gz BDRXRNHDRYFOJC-INIZCTEOSA-N 1 2 348.451 0.586 20 30 ECEDLO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)CC1=O ZINC001038308417 738176295 /nfs/dbraw/zinc/17/62/95/738176295.db2.gz CWERAIFUHSNCGU-IRXDYDNUSA-N 1 2 325.412 0.707 20 30 ECEDLO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CC#Cc2ccccc2)CC1=O ZINC001038308417 738176298 /nfs/dbraw/zinc/17/62/98/738176298.db2.gz CWERAIFUHSNCGU-IRXDYDNUSA-N 1 2 325.412 0.707 20 30 ECEDLO C#CCOc1ncccc1C(=O)NC[C@H]1CCCC[N@H+]1CC(N)=O ZINC001024766340 738278448 /nfs/dbraw/zinc/27/84/48/738278448.db2.gz PTIWGKVOBNLILF-CYBMUJFWSA-N 1 2 330.388 0.163 20 30 ECEDLO C#CCOc1ncccc1C(=O)NC[C@H]1CCCC[N@@H+]1CC(N)=O ZINC001024766340 738278452 /nfs/dbraw/zinc/27/84/52/738278452.db2.gz PTIWGKVOBNLILF-CYBMUJFWSA-N 1 2 330.388 0.163 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001024805906 738311239 /nfs/dbraw/zinc/31/12/39/738311239.db2.gz FKDYSJMBHIVHKA-VXGBXAGGSA-N 1 2 335.857 0.401 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001024805906 738311243 /nfs/dbraw/zinc/31/12/43/738311243.db2.gz FKDYSJMBHIVHKA-VXGBXAGGSA-N 1 2 335.857 0.401 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](Cc3ccccc3)OC)[C@H]2C1 ZINC001083280445 739274603 /nfs/dbraw/zinc/27/46/03/739274603.db2.gz RUKMRZODGJVPIQ-OKZBNKHCSA-N 1 2 328.412 0.789 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](Cc3ccccc3)OC)[C@H]2C1 ZINC001083280445 739274604 /nfs/dbraw/zinc/27/46/04/739274604.db2.gz RUKMRZODGJVPIQ-OKZBNKHCSA-N 1 2 328.412 0.789 20 30 ECEDLO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@@H]1CCC[N@H+](Cc2nnnn2C)C1 ZINC001025383651 739337106 /nfs/dbraw/zinc/33/71/06/739337106.db2.gz XMJMEBPKUQXCFK-DGCLKSJQSA-N 1 2 342.407 0.440 20 30 ECEDLO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@@H]1CCC[N@@H+](Cc2nnnn2C)C1 ZINC001025383651 739337111 /nfs/dbraw/zinc/33/71/11/739337111.db2.gz XMJMEBPKUQXCFK-DGCLKSJQSA-N 1 2 342.407 0.440 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2O)CC1 ZINC001025491237 739657495 /nfs/dbraw/zinc/65/74/95/739657495.db2.gz UDXLHNKMTBAVLH-HZPDHXFCSA-N 1 2 346.431 0.708 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC001025705744 739885032 /nfs/dbraw/zinc/88/50/32/739885032.db2.gz XTMWMVXDWUERPK-LVEVGFFFSA-N 1 2 343.221 0.751 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC001025705744 739885034 /nfs/dbraw/zinc/88/50/34/739885034.db2.gz XTMWMVXDWUERPK-LVEVGFFFSA-N 1 2 343.221 0.751 20 30 ECEDLO CN(C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)c1ccc(C#N)nn1 ZINC001058694698 740576210 /nfs/dbraw/zinc/57/62/10/740576210.db2.gz CVLACWPSBODXHK-ZDUSSCGKSA-N 1 2 339.403 0.989 20 30 ECEDLO CN(C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)c1nccnc1C#N ZINC001058694898 740579858 /nfs/dbraw/zinc/57/98/58/740579858.db2.gz JCOBGGTZDPQGOL-ZDUSSCGKSA-N 1 2 339.403 0.989 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)CC(C)C)C2)nn1 ZINC001105140011 741413117 /nfs/dbraw/zinc/41/31/17/741413117.db2.gz SKDWBDBKFDWHQJ-UHFFFAOYSA-N 1 2 334.424 0.099 20 30 ECEDLO C=CCOCC(=O)N1CC(n2cc(C[NH2+]C/C=C/Cl)nn2)C1 ZINC001105192422 741458923 /nfs/dbraw/zinc/45/89/23/741458923.db2.gz QCXAVRACRYSBRB-ONEGZZNKSA-N 1 2 325.800 0.706 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccn(C)c3)C2)nn1 ZINC001105209761 741472746 /nfs/dbraw/zinc/47/27/46/741472746.db2.gz PNYMPEJOEAUYKJ-UHFFFAOYSA-N 1 2 342.403 0.053 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC(n2cc(C[NH2+]C[C@@H](F)CC)nn2)C1 ZINC001105240474 741531802 /nfs/dbraw/zinc/53/18/02/741531802.db2.gz OONCFTCNAATUBV-OLZOCXBDSA-N 1 2 337.399 0.537 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccn(C(C)(C)C)n3)C2)nn1 ZINC001105254110 741564925 /nfs/dbraw/zinc/56/49/25/741564925.db2.gz OLZYAXWRMUGWES-UHFFFAOYSA-N 1 2 341.419 0.650 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCO[C@@H]3C(C)C)C2)nn1 ZINC001105256826 741572152 /nfs/dbraw/zinc/57/21/52/741572152.db2.gz UQSSGHWNJJERMN-IAGOWNOFSA-N 1 2 345.447 0.835 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CCC[C@H](OC)C3)C2)nn1 ZINC001105259512 741581166 /nfs/dbraw/zinc/58/11/66/741581166.db2.gz BEDVIELQADDRRF-YOEHRIQHSA-N 1 2 345.447 0.980 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[C@H]3OC)C2)nn1 ZINC001105271090 741615663 /nfs/dbraw/zinc/61/56/63/741615663.db2.gz WBDDFVOEFZJUPJ-HZPDHXFCSA-N 1 2 331.420 0.589 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(CCF)c3)C2)nn1 ZINC001105275727 741623803 /nfs/dbraw/zinc/62/38/03/741623803.db2.gz ZOPONXQRJLYRAW-UHFFFAOYSA-N 1 2 345.382 0.254 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@]34CCO[C@@H]3CCCC4)C2)nn1 ZINC001105280762 741637014 /nfs/dbraw/zinc/63/70/14/741637014.db2.gz BKYTZRLKXPXGSK-SJLPKXTDSA-N 1 2 343.431 0.734 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@]34CCO[C@@H]3CCCC4)C2)nn1 ZINC001105280760 741637064 /nfs/dbraw/zinc/63/70/64/741637064.db2.gz BKYTZRLKXPXGSK-AEFFLSMTSA-N 1 2 343.431 0.734 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccn(C(C)C)n3)C2)nn1 ZINC001105288482 741649034 /nfs/dbraw/zinc/64/90/34/741649034.db2.gz NNNXOPODEZOGIR-UHFFFAOYSA-N 1 2 341.419 0.404 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](OC)C3CCC3)C2)nn1 ZINC001105292639 741656201 /nfs/dbraw/zinc/65/62/01/741656201.db2.gz YPKSGDFIMJPDEF-INIZCTEOSA-N 1 2 331.420 0.589 20 30 ECEDLO C=CCCC1(C(=O)N(CCO)CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001058728243 741691060 /nfs/dbraw/zinc/69/10/60/741691060.db2.gz NKPZKIVOJFNVQR-UHFFFAOYSA-N 1 2 348.447 0.646 20 30 ECEDLO C=C/C(C)=C/CC(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105306034 741703224 /nfs/dbraw/zinc/70/32/24/741703224.db2.gz XRLGWQRRBHXBOP-VIZOYTHASA-N 1 2 343.431 0.923 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](F)C(C)C)C2)nn1 ZINC001105308797 741710836 /nfs/dbraw/zinc/71/08/36/741710836.db2.gz YLDMOCBPHIZKNY-OAHLLOKOSA-N 1 2 337.399 0.395 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3cnnn3)C2)c(F)c1 ZINC001006686816 751674210 /nfs/dbraw/zinc/67/42/10/751674210.db2.gz VGZUPOGZZAKPSR-CQSZACIVSA-N 1 2 343.366 0.465 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)Cn3cnnn3)C2)c(F)c1 ZINC001006686816 751674214 /nfs/dbraw/zinc/67/42/14/751674214.db2.gz VGZUPOGZZAKPSR-CQSZACIVSA-N 1 2 343.366 0.465 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C3CCOCC3)[C@@H](O)C2)s1 ZINC001083303655 741869135 /nfs/dbraw/zinc/86/91/35/741869135.db2.gz KYDLFSNMJCSRQA-CABCVRRESA-N 1 2 335.429 0.708 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C3CCOCC3)[C@@H](O)C2)s1 ZINC001083303655 741869141 /nfs/dbraw/zinc/86/91/41/741869141.db2.gz KYDLFSNMJCSRQA-CABCVRRESA-N 1 2 335.429 0.708 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3noc4c3CCCC4)C2)nn1 ZINC001105334032 741992925 /nfs/dbraw/zinc/99/29/25/741992925.db2.gz VDHDHQRVLPFUQV-UHFFFAOYSA-N 1 2 340.387 0.565 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@H]21 ZINC000974977888 742405590 /nfs/dbraw/zinc/40/55/90/742405590.db2.gz ODVOKFFMKPBROR-BFHYXJOUSA-N 1 2 329.404 0.572 20 30 ECEDLO C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2c[nH]c[nH+]2)C3)cn1 ZINC001006721293 751726403 /nfs/dbraw/zinc/72/64/03/751726403.db2.gz TWDDYANIILOREI-ZACQAIPSSA-N 1 2 349.394 0.890 20 30 ECEDLO C[C@@H](CC(=O)N1CC(n2cc(CNCC#N)nn2)C1)n1cc[nH+]c1 ZINC001105337298 742458689 /nfs/dbraw/zinc/45/86/89/742458689.db2.gz YVQGVBQHCAOIDO-LBPRGKRZSA-N 1 2 328.380 0.122 20 30 ECEDLO COCCN(CCNC(=O)CCn1cc[nH+]c1)c1cncc(C#N)n1 ZINC001126451128 742851103 /nfs/dbraw/zinc/85/11/03/742851103.db2.gz OXZYFRPNOVLQGD-UHFFFAOYSA-N 1 2 343.391 0.204 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]([C@@H](C)c3nnnn3C)C2)cn1 ZINC001028941623 742936812 /nfs/dbraw/zinc/93/68/12/742936812.db2.gz ZOPUDUDMDXVRJB-STQMWFEESA-N 1 2 339.403 0.399 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@@H](C)c3nnnn3C)C2)cn1 ZINC001028941623 742936813 /nfs/dbraw/zinc/93/68/13/742936813.db2.gz ZOPUDUDMDXVRJB-STQMWFEESA-N 1 2 339.403 0.399 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C1 ZINC000975968519 743435856 /nfs/dbraw/zinc/43/58/56/743435856.db2.gz PJCCADFOVNLXRY-YDHLFZDLSA-N 1 2 329.404 0.951 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@H]2C1 ZINC000975968519 743435859 /nfs/dbraw/zinc/43/58/59/743435859.db2.gz PJCCADFOVNLXRY-YDHLFZDLSA-N 1 2 329.404 0.951 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001059867271 751828526 /nfs/dbraw/zinc/82/85/26/751828526.db2.gz LDGVTMGSFBBPKZ-LSDHHAIUSA-N 1 2 332.404 0.276 20 30 ECEDLO C=CCO[C@@H](C)C(=O)NCC[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001059867280 751829140 /nfs/dbraw/zinc/82/91/40/751829140.db2.gz LFGUNMCFSDVYPU-GJZGRUSLSA-N 1 2 334.420 0.829 20 30 ECEDLO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CC[NH+](Cc2nnnn2C)CC1 ZINC000997549409 743669940 /nfs/dbraw/zinc/66/99/40/743669940.db2.gz IZIAYFFKAQYAIH-NSHDSACASA-N 1 2 342.407 0.440 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C#N)[nH]1 ZINC000976362684 743857083 /nfs/dbraw/zinc/85/70/83/743857083.db2.gz PKVSIANGTSPMFI-VIKVFOODSA-N 1 2 338.371 0.049 20 30 ECEDLO CCc1nc(C#N)cc(N[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)n1 ZINC001058929881 751867876 /nfs/dbraw/zinc/86/78/76/751867876.db2.gz TYEYHRWKZOCNNB-LBPRGKRZSA-N 1 2 339.403 0.900 20 30 ECEDLO C=C1CC(C)(C(=O)N(CCO)CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001058770822 744049007 /nfs/dbraw/zinc/04/90/07/744049007.db2.gz GGLGOTVLMLNMFH-UHFFFAOYSA-N 1 2 348.447 0.646 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000976592907 744118698 /nfs/dbraw/zinc/11/86/98/744118698.db2.gz STCLUYXFKFZLJI-QDEPRCCBSA-N 1 2 344.415 0.506 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 ZINC000976864786 744418212 /nfs/dbraw/zinc/41/82/12/744418212.db2.gz DAOQEQBXKOIINT-FOLVSLTJSA-N 1 2 338.371 0.049 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000977053491 744620412 /nfs/dbraw/zinc/62/04/12/744620412.db2.gz WYPMYLIFDWOKOR-HNKZQRQQSA-N 1 2 344.415 0.506 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2C[N@@H+](CC(=O)NC3CC3)CC2(C)C)nn1 ZINC000977273832 744828709 /nfs/dbraw/zinc/82/87/09/744828709.db2.gz QHQDBLUCEHYNKN-AWEZNQCLSA-N 1 2 346.435 0.183 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2C[N@H+](CC(=O)NC3CC3)CC2(C)C)nn1 ZINC000977273832 744828711 /nfs/dbraw/zinc/82/87/11/744828711.db2.gz QHQDBLUCEHYNKN-AWEZNQCLSA-N 1 2 346.435 0.183 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3COc4ccccc43)C2)nn1 ZINC001105382667 744992915 /nfs/dbraw/zinc/99/29/15/744992915.db2.gz LTZPTXHDKBPZJY-MRXNPFEDSA-N 1 2 337.383 0.560 20 30 ECEDLO CN(C[C@H]1CCN1C(=O)Cn1cc[nH+]c1)C(=O)c1cc(C#N)c[nH]1 ZINC000977531635 745152706 /nfs/dbraw/zinc/15/27/06/745152706.db2.gz SCVQKZXHLUQJRZ-CYBMUJFWSA-N 1 2 326.360 0.456 20 30 ECEDLO C#CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3[nH]ncc3F)nn2)C1 ZINC001000022552 745193727 /nfs/dbraw/zinc/19/37/27/745193727.db2.gz WMWLZGTUSSVPGJ-GFCCVEGCSA-N 1 2 331.355 0.340 20 30 ECEDLO C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3[nH]ncc3F)nn2)C1 ZINC001000022552 745193729 /nfs/dbraw/zinc/19/37/29/745193729.db2.gz WMWLZGTUSSVPGJ-GFCCVEGCSA-N 1 2 331.355 0.340 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)C3CCOCC3)C2)nn1 ZINC001105384702 745257782 /nfs/dbraw/zinc/25/77/82/745257782.db2.gz MUEOLTBLCPDQAD-CYBMUJFWSA-N 1 2 331.420 0.447 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C(C)(C)C1 ZINC000977599600 745280534 /nfs/dbraw/zinc/28/05/34/745280534.db2.gz DAUAEADQVBSRFI-QWRGUYRKSA-N 1 2 335.857 0.257 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C(C)(C)C1 ZINC000977599600 745280538 /nfs/dbraw/zinc/28/05/38/745280538.db2.gz DAUAEADQVBSRFI-QWRGUYRKSA-N 1 2 335.857 0.257 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3nccnc3N)C2)C1=O ZINC001006944334 751994241 /nfs/dbraw/zinc/99/42/41/751994241.db2.gz HFWSPTMFVYRACM-CHWSQXEVSA-N 1 2 344.419 0.040 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3nccnc3N)C2)C1=O ZINC001006944334 751994248 /nfs/dbraw/zinc/99/42/48/751994248.db2.gz HFWSPTMFVYRACM-CHWSQXEVSA-N 1 2 344.419 0.040 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cc(C)n(C)n3)C2)nn1 ZINC001098626539 745452951 /nfs/dbraw/zinc/45/29/51/745452951.db2.gz ULQWYICEOBEBEJ-OAHLLOKOSA-N 1 2 341.419 0.520 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCOCC)[C@H](OC)C1 ZINC001211925382 752022381 /nfs/dbraw/zinc/02/23/81/752022381.db2.gz VXJUORITCXQFFI-RRFJBIMHSA-N 1 2 341.452 0.309 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCOCC)[C@H](OC)C1 ZINC001211925382 752022388 /nfs/dbraw/zinc/02/23/88/752022388.db2.gz VXJUORITCXQFFI-RRFJBIMHSA-N 1 2 341.452 0.309 20 30 ECEDLO C#CCOc1ncccc1C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NC ZINC001028270944 752028022 /nfs/dbraw/zinc/02/80/22/752028022.db2.gz WOWYORKVYWDKAA-CYBMUJFWSA-N 1 2 330.388 0.034 20 30 ECEDLO C#CCOc1ncccc1C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NC ZINC001028270944 752028029 /nfs/dbraw/zinc/02/80/29/752028029.db2.gz WOWYORKVYWDKAA-CYBMUJFWSA-N 1 2 330.388 0.034 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3nnn(C)c3C)C2)C1=O ZINC001006993807 752031315 /nfs/dbraw/zinc/03/13/15/752031315.db2.gz JLEBKFNLUKEXBP-ZIAGYGMSSA-N 1 2 346.435 0.105 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3nnn(C)c3C)C2)C1=O ZINC001006993807 752031321 /nfs/dbraw/zinc/03/13/21/752031321.db2.gz JLEBKFNLUKEXBP-ZIAGYGMSSA-N 1 2 346.435 0.105 20 30 ECEDLO N#Cc1cncc(N2C[C@H]3CC[C@@H](C2)N3C(=O)CCn2cc[nH+]c2)n1 ZINC001058792743 745786314 /nfs/dbraw/zinc/78/63/14/745786314.db2.gz LETWJBSDXRVQJU-GASCZTMLSA-N 1 2 337.387 0.815 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2C(=O)Cc2[nH]cc[nH+]2)nc1 ZINC000978104400 745902028 /nfs/dbraw/zinc/90/20/28/745902028.db2.gz HRRSONIXTLKHSE-AWEZNQCLSA-N 1 2 337.383 0.702 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001059335199 745989338 /nfs/dbraw/zinc/98/93/38/745989338.db2.gz PEMFYTMZJDHZDP-AWEZNQCLSA-N 1 2 334.420 0.520 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000978432536 746316213 /nfs/dbraw/zinc/31/62/13/746316213.db2.gz KITMPMZZIJBIOH-OAGGEKHMSA-N 1 2 346.431 0.993 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000978432536 746316219 /nfs/dbraw/zinc/31/62/19/746316219.db2.gz KITMPMZZIJBIOH-OAGGEKHMSA-N 1 2 346.431 0.993 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000978432538 746316508 /nfs/dbraw/zinc/31/65/08/746316508.db2.gz KITMPMZZIJBIOH-XHSDSOJGSA-N 1 2 346.431 0.993 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000978432538 746316514 /nfs/dbraw/zinc/31/65/14/746316514.db2.gz KITMPMZZIJBIOH-XHSDSOJGSA-N 1 2 346.431 0.993 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@H](Nc2cncc(C#N)n2)C1 ZINC001058941365 752080197 /nfs/dbraw/zinc/08/01/97/752080197.db2.gz FFXIEYUTIKVAEV-LBPRGKRZSA-N 1 2 325.376 0.727 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001001478572 746418115 /nfs/dbraw/zinc/41/81/15/746418115.db2.gz RWMWPWAHKIMLGW-UHFFFAOYSA-N 1 2 340.387 0.441 20 30 ECEDLO C[C@@H](CC(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1)n1cc[nH+]c1 ZINC001001509114 746447269 /nfs/dbraw/zinc/44/72/69/746447269.db2.gz NUENMKNZKTVZMZ-LBPRGKRZSA-N 1 2 340.387 0.922 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000984565891 746622809 /nfs/dbraw/zinc/62/28/09/746622809.db2.gz GRBDWQZVXWJNHH-AWEZNQCLSA-N 1 2 340.387 0.915 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000978742609 746669467 /nfs/dbraw/zinc/66/94/67/746669467.db2.gz HLZLUUAIJQDGGS-BJHJDKERSA-N 1 2 340.387 0.785 20 30 ECEDLO COCCN(CCNC(=O)CCc1c[nH]c[nH+]1)c1cnc(C#N)cn1 ZINC001126562316 746738138 /nfs/dbraw/zinc/73/81/38/746738138.db2.gz ZGYBGAHOZYWTFD-UHFFFAOYSA-N 1 2 343.391 0.273 20 30 ECEDLO COCCN(CCNC(=O)CCc1c[nH+]c[nH]1)c1cnc(C#N)cn1 ZINC001126562316 746738143 /nfs/dbraw/zinc/73/81/43/746738143.db2.gz ZGYBGAHOZYWTFD-UHFFFAOYSA-N 1 2 343.391 0.273 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3nncn3C)C[C@H]21 ZINC000978832648 746777048 /nfs/dbraw/zinc/77/70/48/746777048.db2.gz VXKUWLVVJACLAC-JGFGOLAASA-N 1 2 345.447 0.590 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nncn3C)C[C@H]21 ZINC000978832648 746777052 /nfs/dbraw/zinc/77/70/52/746777052.db2.gz VXKUWLVVJACLAC-JGFGOLAASA-N 1 2 345.447 0.590 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cc[nH+]c2)c1 ZINC001001905557 746797151 /nfs/dbraw/zinc/79/71/51/746797151.db2.gz RTLIQPJNANHIFR-NFAWXSAZSA-N 1 2 338.371 0.645 20 30 ECEDLO C=CCn1cc(C(=O)NCC2CC[NH+](Cc3nnc(C)o3)CC2)nn1 ZINC001001918164 746806503 /nfs/dbraw/zinc/80/65/03/746806503.db2.gz BREFXUKOGAWVSL-UHFFFAOYSA-N 1 2 345.407 0.798 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2CC[NH+](Cc3cnn(C)n3)CC2)cn1 ZINC001002056467 746934518 /nfs/dbraw/zinc/93/45/18/746934518.db2.gz WJHDVUWUZHBYJD-UHFFFAOYSA-N 1 2 338.415 0.833 20 30 ECEDLO C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn[nH]c3-c3cnn(C)c3)[C@@H]2C1 ZINC000978948966 746939217 /nfs/dbraw/zinc/93/92/17/746939217.db2.gz ZGOPXGNYFSKQCT-MKZZRHPPSA-N 1 2 338.415 0.741 20 30 ECEDLO C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn[nH]c3-c3cnn(C)c3)[C@@H]2C1 ZINC000978948966 746939221 /nfs/dbraw/zinc/93/92/21/746939221.db2.gz ZGOPXGNYFSKQCT-MKZZRHPPSA-N 1 2 338.415 0.741 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cnn(C)n4)C[C@H]32)cn1 ZINC000978999408 747048946 /nfs/dbraw/zinc/04/89/46/747048946.db2.gz FSARVVWZQNVTRO-OSYLJGHBSA-N 1 2 336.399 0.299 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cnn(C)n4)C[C@H]32)cn1 ZINC000978999408 747048951 /nfs/dbraw/zinc/04/89/51/747048951.db2.gz FSARVVWZQNVTRO-OSYLJGHBSA-N 1 2 336.399 0.299 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nncn4C)C[C@H]32)cn1 ZINC000979019278 747067001 /nfs/dbraw/zinc/06/70/01/747067001.db2.gz OUGWPQYVERKFLC-PHZGNYQRSA-N 1 2 336.399 0.299 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nncn4C)C[C@H]32)cn1 ZINC000979019278 747067007 /nfs/dbraw/zinc/06/70/07/747067007.db2.gz OUGWPQYVERKFLC-PHZGNYQRSA-N 1 2 336.399 0.299 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)C#CC1CC1 ZINC000985161637 747490737 /nfs/dbraw/zinc/49/07/37/747490737.db2.gz FDXBNJNSDUOGIN-JKSUJKDBSA-N 1 2 328.416 0.872 20 30 ECEDLO CCn1cc(C[NH+]2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)nn1 ZINC001002551757 747503124 /nfs/dbraw/zinc/50/31/24/747503124.db2.gz QGKMRUWBQSPNLI-UHFFFAOYSA-N 1 2 327.392 0.892 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CNC(=O)CCC)C2)nn1 ZINC001098629442 747577460 /nfs/dbraw/zinc/57/74/60/747577460.db2.gz JZESFXBVALUWJV-OAHLLOKOSA-N 1 2 346.435 0.081 20 30 ECEDLO C=C(Br)C[NH+]1CCC(NC(=O)CN2CN=NC2=O)CC1 ZINC001002649047 747615732 /nfs/dbraw/zinc/61/57/32/747615732.db2.gz PVRYXEJDEAPMOX-UHFFFAOYSA-N 1 2 344.213 0.473 20 30 ECEDLO CCc1nnc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)C#CC3CC3)CCO2)o1 ZINC000979330820 747623990 /nfs/dbraw/zinc/62/39/90/747623990.db2.gz KGWGGVVXLPHDDR-OCCSQVGLSA-N 1 2 332.404 0.751 20 30 ECEDLO C[NH+](C)[C@@H](C(=O)N1C[C@H]2CCN(CC#N)C[C@H]2C1)c1cccnc1 ZINC001088214238 747753786 /nfs/dbraw/zinc/75/37/86/747753786.db2.gz CNQIERNXOXELAD-IXDOHACOSA-N 1 2 327.432 0.988 20 30 ECEDLO C#CCC[N@H+]1CC[C@@H](OCC2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001088239752 747936587 /nfs/dbraw/zinc/93/65/87/747936587.db2.gz FSOSSOJZFUDPNU-MRXNPFEDSA-N 1 2 345.447 0.700 20 30 ECEDLO C#CCC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001088239752 747936592 /nfs/dbraw/zinc/93/65/92/747936592.db2.gz FSOSSOJZFUDPNU-MRXNPFEDSA-N 1 2 345.447 0.700 20 30 ECEDLO N#Cc1cnc(N2C[C@H]3CC[C@@H](C2)N3C(=O)CCc2c[nH]c[nH+]2)cn1 ZINC001058811214 747993632 /nfs/dbraw/zinc/99/36/32/747993632.db2.gz GSKGYCGAQWCMLZ-GASCZTMLSA-N 1 2 337.387 0.884 20 30 ECEDLO N#Cc1cnc(N2C[C@H]3CC[C@@H](C2)N3C(=O)CCc2c[nH+]c[nH]2)cn1 ZINC001058811214 747993635 /nfs/dbraw/zinc/99/36/35/747993635.db2.gz GSKGYCGAQWCMLZ-GASCZTMLSA-N 1 2 337.387 0.884 20 30 ECEDLO Cn1nnnc1C[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001029710815 748119282 /nfs/dbraw/zinc/11/92/82/748119282.db2.gz VGDALHQWDNXDPH-LLVKDONJSA-N 1 2 328.380 0.004 20 30 ECEDLO Cn1nnnc1C[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001029710815 748119287 /nfs/dbraw/zinc/11/92/87/748119287.db2.gz VGDALHQWDNXDPH-LLVKDONJSA-N 1 2 328.380 0.004 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2CN(C(=O)CCn3cc[nH+]c3)C2)nc1 ZINC001003472169 748589497 /nfs/dbraw/zinc/58/94/97/748589497.db2.gz XKJBJLQUMBYUIR-UHFFFAOYSA-N 1 2 337.383 0.538 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3ncnn3C)C2)c1 ZINC001029835042 748668429 /nfs/dbraw/zinc/66/84/29/748668429.db2.gz LROSWVCGHXZEER-OAHLLOKOSA-N 1 2 338.415 0.786 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H](C[N@H+](C)Cc3ncnn3C)C2)c1 ZINC001029835042 748668433 /nfs/dbraw/zinc/66/84/33/748668433.db2.gz LROSWVCGHXZEER-OAHLLOKOSA-N 1 2 338.415 0.786 20 30 ECEDLO C=C1CCC(C(=O)NC2CC[NH+](Cc3nc(=O)n(C)[nH]3)CC2)CC1 ZINC001003551902 748673968 /nfs/dbraw/zinc/67/39/68/748673968.db2.gz USWGTOCTOPDVDY-UHFFFAOYSA-N 1 2 333.436 0.935 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3nncn3C)C2)cn1 ZINC001029891185 749459896 /nfs/dbraw/zinc/45/98/96/749459896.db2.gz CHHJSMRFEIHTMC-CQSZACIVSA-N 1 2 338.415 0.786 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)Cc3nncn3C)C2)cn1 ZINC001029891185 749459898 /nfs/dbraw/zinc/45/98/98/749459898.db2.gz CHHJSMRFEIHTMC-CQSZACIVSA-N 1 2 338.415 0.786 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3snnc3C)[C@H]2C)C1=O ZINC001088464564 749501419 /nfs/dbraw/zinc/50/14/19/749501419.db2.gz DRYRMEIFKIMNLW-FRRDWIJNSA-N 1 2 349.460 0.826 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3snnc3C)[C@H]2C)C1=O ZINC001088464564 749501423 /nfs/dbraw/zinc/50/14/23/749501423.db2.gz DRYRMEIFKIMNLW-FRRDWIJNSA-N 1 2 349.460 0.826 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001004520361 749590599 /nfs/dbraw/zinc/59/05/99/749590599.db2.gz ATMVFOQYAQEQCH-KGLIPLIRSA-N 1 2 346.431 0.853 20 30 ECEDLO C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262746954 749621356 /nfs/dbraw/zinc/62/13/56/749621356.db2.gz AQAUMDJAEPNRAN-XJKSGUPXSA-N 1 2 325.526 0.825 20 30 ECEDLO COCc1noc(C[NH2+][C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@H]2C)n1 ZINC000986174510 749630978 /nfs/dbraw/zinc/63/09/78/749630978.db2.gz JPKLWEBRMVSRRA-GXFFZTMASA-N 1 2 344.375 0.809 20 30 ECEDLO C[C@@H]1[C@H]([NH2+]Cc2nnn(C(C)(C)C)n2)CCN1C(=O)C#CC1CC1 ZINC000986287437 749755760 /nfs/dbraw/zinc/75/57/60/749755760.db2.gz RMQRPKFUKGAVJO-TZMCWYRMSA-N 1 2 330.436 0.921 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3cc(C)n(C)n3)CC2)C1=O ZINC000980787769 750164292 /nfs/dbraw/zinc/16/42/92/750164292.db2.gz MCSVWTROCPKWOQ-MRXNPFEDSA-N 1 2 345.447 0.663 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3cc(C)n(C)n3)CC2)C1=O ZINC000980787769 750164297 /nfs/dbraw/zinc/16/42/97/750164297.db2.gz MCSVWTROCPKWOQ-MRXNPFEDSA-N 1 2 345.447 0.663 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3ncoc3C)CC2)C1=O ZINC000980800554 750181484 /nfs/dbraw/zinc/18/14/84/750181484.db2.gz MPZAFRLFFOFYIT-AWEZNQCLSA-N 1 2 332.404 0.918 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3ncoc3C)CC2)C1=O ZINC000980800554 750181489 /nfs/dbraw/zinc/18/14/89/750181489.db2.gz MPZAFRLFFOFYIT-AWEZNQCLSA-N 1 2 332.404 0.918 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCC(=O)N3)CC2)s1 ZINC000980839600 750247040 /nfs/dbraw/zinc/24/70/40/750247040.db2.gz KPZHHEMDJOJUFU-CQSZACIVSA-N 1 2 332.429 0.933 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCC(=O)N3)CC2)s1 ZINC000980839600 750247045 /nfs/dbraw/zinc/24/70/45/750247045.db2.gz KPZHHEMDJOJUFU-CQSZACIVSA-N 1 2 332.429 0.933 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001005224548 750398782 /nfs/dbraw/zinc/39/87/82/750398782.db2.gz LJZPMTIDYLIGEN-UHFFFAOYSA-N 1 2 338.433 0.467 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3coc(CC4CC4)n3)C2)nn1 ZINC001105351920 750466428 /nfs/dbraw/zinc/46/64/28/750466428.db2.gz MVAQHOVZCFRBBF-UHFFFAOYSA-N 1 2 340.387 0.639 20 30 ECEDLO C[C@H](NC(=O)CSCC#N)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001051428083 762053535 /nfs/dbraw/zinc/05/35/35/762053535.db2.gz UZVQCRBZQUOZRL-RYUDHWBXSA-N 1 2 335.433 0.562 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3c[nH]nc3C)CC2)C1=O ZINC000981725140 751012731 /nfs/dbraw/zinc/01/27/31/751012731.db2.gz NVCFFLAOUPROEO-OAHLLOKOSA-N 1 2 331.420 0.653 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3c[nH]nc3C)CC2)C1=O ZINC000981725140 751012737 /nfs/dbraw/zinc/01/27/37/751012737.db2.gz NVCFFLAOUPROEO-OAHLLOKOSA-N 1 2 331.420 0.653 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CNC(=O)N3)CC2)c(F)c1 ZINC000981850505 751189245 /nfs/dbraw/zinc/18/92/45/751189245.db2.gz KBBKCBGOUISZEK-HNNXBMFYSA-N 1 2 345.378 0.413 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CNC(=O)N3)CC2)c(F)c1 ZINC000981850505 751189247 /nfs/dbraw/zinc/18/92/47/751189247.db2.gz KBBKCBGOUISZEK-HNNXBMFYSA-N 1 2 345.378 0.413 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1cnnn1CC ZINC001028144442 751207198 /nfs/dbraw/zinc/20/71/98/751207198.db2.gz DSLBYXFQFAFDIL-BMFZPTHFSA-N 1 2 333.436 0.970 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cnnn1CC ZINC001028144442 751207202 /nfs/dbraw/zinc/20/72/02/751207202.db2.gz DSLBYXFQFAFDIL-BMFZPTHFSA-N 1 2 333.436 0.970 20 30 ECEDLO N#CCN1CCCC2(CN(C(=O)[C@H]3COCC[N@@H+]3CC3CCC3)C2)C1 ZINC000981914248 751272632 /nfs/dbraw/zinc/27/26/32/751272632.db2.gz DVVXGBBCKXFUFV-QGZVFWFLSA-N 1 2 346.475 0.935 20 30 ECEDLO N#CCN1CCCC2(CN(C(=O)[C@H]3COCC[N@H+]3CC3CCC3)C2)C1 ZINC000981914248 751272635 /nfs/dbraw/zinc/27/26/35/751272635.db2.gz DVVXGBBCKXFUFV-QGZVFWFLSA-N 1 2 346.475 0.935 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(n3cc(C[NH2+]CCF)nn3)C2)cn1 ZINC001105362860 752317906 /nfs/dbraw/zinc/31/79/06/752317906.db2.gz MFOUOGNWDHDSAR-UHFFFAOYSA-N 1 2 328.351 0.411 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC001007360387 752326663 /nfs/dbraw/zinc/32/66/63/752326663.db2.gz QOSILLDAZGGHIX-OAGGEKHMSA-N 1 2 335.448 0.827 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001007360387 752326671 /nfs/dbraw/zinc/32/66/71/752326671.db2.gz QOSILLDAZGGHIX-OAGGEKHMSA-N 1 2 335.448 0.827 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C3CC(C)(C)C3)[C@@H](O)C2)C1=O ZINC001083441561 752356431 /nfs/dbraw/zinc/35/64/31/752356431.db2.gz UDRYIWYFRVFRKI-ILXRZTDVSA-N 1 2 335.448 0.371 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C3CC(C)(C)C3)[C@@H](O)C2)C1=O ZINC001083441561 752356437 /nfs/dbraw/zinc/35/64/37/752356437.db2.gz UDRYIWYFRVFRKI-ILXRZTDVSA-N 1 2 335.448 0.371 20 30 ECEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)CNC(C)=O ZINC001211774136 752697104 /nfs/dbraw/zinc/69/71/04/752697104.db2.gz NGIDCPFAVRSKNO-HZPDHXFCSA-N 1 2 348.378 0.149 20 30 ECEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)CNC(C)=O ZINC001211774136 752697107 /nfs/dbraw/zinc/69/71/07/752697107.db2.gz NGIDCPFAVRSKNO-HZPDHXFCSA-N 1 2 348.378 0.149 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@]2(C1)CN(C(=O)Cn1cc[nH+]c1)CCO2 ZINC001007653605 752716864 /nfs/dbraw/zinc/71/68/64/752716864.db2.gz JICZPNNNRCFVQA-GOSISDBHSA-N 1 2 342.399 0.126 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](NC(=O)/C=C/C2CC2)[C@H](OC)C1 ZINC001212085397 752717171 /nfs/dbraw/zinc/71/71/71/752717171.db2.gz QOLVTHWGEWKKRL-XLBHYRNJSA-N 1 2 348.447 0.530 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](NC(=O)/C=C/C2CC2)[C@H](OC)C1 ZINC001212085397 752717176 /nfs/dbraw/zinc/71/71/76/752717176.db2.gz QOLVTHWGEWKKRL-XLBHYRNJSA-N 1 2 348.447 0.530 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cccc(F)c2)[C@H](OC)C1 ZINC001211783943 752726836 /nfs/dbraw/zinc/72/68/36/752726836.db2.gz KJWAFAZSBLVAPU-DAXOMENPSA-N 1 2 349.406 0.945 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccc(F)c2)[C@H](OC)C1 ZINC001211783943 752726841 /nfs/dbraw/zinc/72/68/41/752726841.db2.gz KJWAFAZSBLVAPU-DAXOMENPSA-N 1 2 349.406 0.945 20 30 ECEDLO C[C@H](c1nnnn1C)[N@@H+]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001028490282 752830612 /nfs/dbraw/zinc/83/06/12/752830612.db2.gz IEGCZZIUOMWJST-GHMZBOCLSA-N 1 2 328.380 0.223 20 30 ECEDLO C[C@H](c1nnnn1C)[N@H+]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001028490282 752830619 /nfs/dbraw/zinc/83/06/19/752830619.db2.gz IEGCZZIUOMWJST-GHMZBOCLSA-N 1 2 328.380 0.223 20 30 ECEDLO CCn1ncnc1C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001028491211 752834004 /nfs/dbraw/zinc/83/40/04/752834004.db2.gz UAVXJXSENJVKDZ-LBPRGKRZSA-N 1 2 327.392 0.750 20 30 ECEDLO CCn1ncnc1C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001028491211 752834007 /nfs/dbraw/zinc/83/40/07/752834007.db2.gz UAVXJXSENJVKDZ-LBPRGKRZSA-N 1 2 327.392 0.750 20 30 ECEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H](C)NC(C)=O ZINC001211813779 752929861 /nfs/dbraw/zinc/92/98/61/752929861.db2.gz JUIIIRVXTGVFDC-CSMYWGQOSA-N 1 2 344.415 0.398 20 30 ECEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H](C)NC(C)=O ZINC001211813779 752929867 /nfs/dbraw/zinc/92/98/67/752929867.db2.gz JUIIIRVXTGVFDC-CSMYWGQOSA-N 1 2 344.415 0.398 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2nc(CC3CC3)no2)C1 ZINC001051494338 762205571 /nfs/dbraw/zinc/20/55/71/762205571.db2.gz HWCVFGYQDSSWKN-DGCLKSJQSA-N 1 2 333.392 0.499 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3c(C)noc3C)C2)nn1 ZINC001105372406 753675325 /nfs/dbraw/zinc/67/53/25/753675325.db2.gz FLMAVKDOJMDXIL-UHFFFAOYSA-N 1 2 328.376 0.232 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3cscn3)[C@@H](O)C2)cc1 ZINC001083364897 753693343 /nfs/dbraw/zinc/69/33/43/753693343.db2.gz MDGJYPONTNLKRX-HIFRSBDPSA-N 1 2 328.397 0.990 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)c3cscn3)[C@@H](O)C2)cc1 ZINC001083364897 753693348 /nfs/dbraw/zinc/69/33/48/753693348.db2.gz MDGJYPONTNLKRX-HIFRSBDPSA-N 1 2 328.397 0.990 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC[C@H]3CCOC3)C2)nn1 ZINC001098649904 753714421 /nfs/dbraw/zinc/71/44/21/753714421.db2.gz WIOIAURPDYNVED-RDJZCZTQSA-N 1 2 345.447 0.981 20 30 ECEDLO CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001105488264 753726857 /nfs/dbraw/zinc/72/68/57/753726857.db2.gz MSLSLECAUZLDPJ-ZDUSSCGKSA-N 1 2 339.403 0.702 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+]([C@H](C)C(=O)NC3CC3)C2)c1 ZINC001008469410 753773558 /nfs/dbraw/zinc/77/35/58/753773558.db2.gz RHUFYKNTCKTZAB-DYVFJYSZSA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+]([C@H](C)C(=O)NC3CC3)C2)c1 ZINC001008469410 753773564 /nfs/dbraw/zinc/77/35/64/753773564.db2.gz RHUFYKNTCKTZAB-DYVFJYSZSA-N 1 2 340.427 0.924 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)c1cccc(=O)[nH]1 ZINC001083389694 753777980 /nfs/dbraw/zinc/77/79/80/753777980.db2.gz MZXBOFPFXRTKBN-SJORKVTESA-N 1 2 337.379 0.614 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)c1cccc(=O)[nH]1 ZINC001083389694 753777984 /nfs/dbraw/zinc/77/79/84/753777984.db2.gz MZXBOFPFXRTKBN-SJORKVTESA-N 1 2 337.379 0.614 20 30 ECEDLO C=CCOc1cccnc1C(=O)N1CCC[N@@H+]([C@@H](C)C(=O)NC)CC1 ZINC000989452208 753955688 /nfs/dbraw/zinc/95/56/88/753955688.db2.gz SRZQWKWOQCFNRS-AWEZNQCLSA-N 1 2 346.431 0.929 20 30 ECEDLO C=CCOc1cccnc1C(=O)N1CCC[N@H+]([C@@H](C)C(=O)NC)CC1 ZINC000989452208 753955695 /nfs/dbraw/zinc/95/56/95/753955695.db2.gz SRZQWKWOQCFNRS-AWEZNQCLSA-N 1 2 346.431 0.929 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001014100971 762249231 /nfs/dbraw/zinc/24/92/31/762249231.db2.gz SHWCLVKZAXUEFW-MFKMUULPSA-N 1 2 326.360 0.571 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3nc(C)no3)C[C@@H]2C)nn1 ZINC000989536555 754080558 /nfs/dbraw/zinc/08/05/58/754080558.db2.gz NQZQLZGLALCFLU-JQWIXIFHSA-N 1 2 331.380 0.548 20 30 ECEDLO C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC000989569849 754127991 /nfs/dbraw/zinc/12/79/91/754127991.db2.gz YBLBXYYJFPENDE-NWDGAFQWSA-N 1 2 330.392 0.226 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+]([C@H]3CCN(CC)C3=O)C2)nn1 ZINC001008800890 754132836 /nfs/dbraw/zinc/13/28/36/754132836.db2.gz SEMKTHPOXQRLFS-ZFWWWQNUSA-N 1 2 346.435 0.279 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCN(CC)C3=O)C2)nn1 ZINC001008800890 754132838 /nfs/dbraw/zinc/13/28/38/754132838.db2.gz SEMKTHPOXQRLFS-ZFWWWQNUSA-N 1 2 346.435 0.279 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cncn3C)C2)nn1 ZINC001008815457 754148415 /nfs/dbraw/zinc/14/84/15/754148415.db2.gz QNZAVWXIJZEROM-CQSZACIVSA-N 1 2 343.435 0.982 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cncn3C)C2)nn1 ZINC001008815457 754148420 /nfs/dbraw/zinc/14/84/20/754148420.db2.gz QNZAVWXIJZEROM-CQSZACIVSA-N 1 2 343.435 0.982 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CCCN(Cc3c[nH+]cn3C)C2)nn1 ZINC001008815457 754148425 /nfs/dbraw/zinc/14/84/25/754148425.db2.gz QNZAVWXIJZEROM-CQSZACIVSA-N 1 2 343.435 0.982 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](Nc2nccnc2C#N)C1 ZINC001059068889 754165238 /nfs/dbraw/zinc/16/52/38/754165238.db2.gz DUQUSKNEEWQWPL-YNEHKIRRSA-N 1 2 337.387 0.898 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3ccncn3)C2)C1=O ZINC001008922369 754314391 /nfs/dbraw/zinc/31/43/91/754314391.db2.gz HQJBDLXZRWWYOI-UKRRQHHQSA-N 1 2 329.404 0.458 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3ccncn3)C2)C1=O ZINC001008922369 754314397 /nfs/dbraw/zinc/31/43/97/754314397.db2.gz HQJBDLXZRWWYOI-UKRRQHHQSA-N 1 2 329.404 0.458 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000983034404 754478690 /nfs/dbraw/zinc/47/86/90/754478690.db2.gz UINGHMWKGLFKFW-XHSDSOJGSA-N 1 2 346.431 0.829 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3csnn3)C2)[nH]1 ZINC001051556161 762331745 /nfs/dbraw/zinc/33/17/45/762331745.db2.gz ROPWBZAINZWXQE-GFCCVEGCSA-N 1 2 332.389 0.369 20 30 ECEDLO Cn1cc(C[N@@H+]2CC[C@]3(NC(=O)c4cc(C#N)c[nH]4)CCC[C@@H]23)nn1 ZINC000990161948 754787164 /nfs/dbraw/zinc/78/71/64/754787164.db2.gz NJUZKPQSRRQNBR-NVXWUHKLSA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1cc(C[N@H+]2CC[C@]3(NC(=O)c4cc(C#N)c[nH]4)CCC[C@@H]23)nn1 ZINC000990161948 754787169 /nfs/dbraw/zinc/78/71/69/754787169.db2.gz NJUZKPQSRRQNBR-NVXWUHKLSA-N 1 2 339.403 0.942 20 30 ECEDLO Cc1noc(C[NH2+]C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)n1 ZINC001051558525 762337179 /nfs/dbraw/zinc/33/71/79/762337179.db2.gz NSXOWIPHGYCOQS-ZDUSSCGKSA-N 1 2 330.348 0.209 20 30 ECEDLO Cc1cc(C#N)nc(N(C)CCN(C)C(=O)CCc2[nH+]ccn2C)n1 ZINC001105612064 754831148 /nfs/dbraw/zinc/83/11/48/754831148.db2.gz RPDDSDSQYOBCDQ-UHFFFAOYSA-N 1 2 341.419 0.918 20 30 ECEDLO Cn1cnnc1C[N@@H+]1CC[C@]2(NC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12 ZINC000990268050 754910672 /nfs/dbraw/zinc/91/06/72/754910672.db2.gz UXXCSRDUYPIACT-RHSMWYFYSA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1cnnc1C[N@H+]1CC[C@]2(NC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12 ZINC000990268050 754910674 /nfs/dbraw/zinc/91/06/74/754910674.db2.gz UXXCSRDUYPIACT-RHSMWYFYSA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1ncc(C[N@@H+]2CC[C@]3(NC(=O)c4c[nH]c(C#N)c4)CCC[C@H]23)n1 ZINC000990286809 754923501 /nfs/dbraw/zinc/92/35/01/754923501.db2.gz DZDVQJNJGCGWDJ-DOTOQJQBSA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1ncc(C[N@H+]2CC[C@]3(NC(=O)c4c[nH]c(C#N)c4)CCC[C@H]23)n1 ZINC000990286809 754923504 /nfs/dbraw/zinc/92/35/04/754923504.db2.gz DZDVQJNJGCGWDJ-DOTOQJQBSA-N 1 2 339.403 0.942 20 30 ECEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@@H]2N(C(=O)C#CC2CC2)CC3)C1 ZINC001014223823 762374513 /nfs/dbraw/zinc/37/45/13/762374513.db2.gz FCUNYEXSDXEXSE-BXWFABGCSA-N 1 2 345.443 0.370 20 30 ECEDLO C[N@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@@H]2N(C(=O)C#CC2CC2)CC3)C1 ZINC001014223823 762374518 /nfs/dbraw/zinc/37/45/18/762374518.db2.gz FCUNYEXSDXEXSE-BXWFABGCSA-N 1 2 345.443 0.370 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3nonc3C)C2)C1=O ZINC001009725276 755306182 /nfs/dbraw/zinc/30/61/82/755306182.db2.gz PZFZQTBCHWVXFW-STQMWFEESA-N 1 2 333.392 0.359 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3nonc3C)C2)C1=O ZINC001009725276 755306184 /nfs/dbraw/zinc/30/61/84/755306184.db2.gz PZFZQTBCHWVXFW-STQMWFEESA-N 1 2 333.392 0.359 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001028875601 755362946 /nfs/dbraw/zinc/36/29/46/755362946.db2.gz IQBZQABXQGTWTM-ZDUSSCGKSA-N 1 2 340.387 0.937 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001028875601 755362948 /nfs/dbraw/zinc/36/29/48/755362948.db2.gz IQBZQABXQGTWTM-ZDUSSCGKSA-N 1 2 340.387 0.937 20 30 ECEDLO COCCN(CCNC(=O)CCn1cc[nH+]c1)c1ccc(C#N)nc1 ZINC001126450432 755473476 /nfs/dbraw/zinc/47/34/76/755473476.db2.gz FEKPMRKNWHHIHM-UHFFFAOYSA-N 1 2 342.403 0.809 20 30 ECEDLO Cc1ncc(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)o1 ZINC001083520349 755875988 /nfs/dbraw/zinc/87/59/88/755875988.db2.gz FPUXAWFKUZXZDL-CABCVRRESA-N 1 2 346.412 0.820 20 30 ECEDLO Cc1ncc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)o1 ZINC001083520349 755875994 /nfs/dbraw/zinc/87/59/94/755875994.db2.gz FPUXAWFKUZXZDL-CABCVRRESA-N 1 2 346.412 0.820 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@@H]1O ZINC001083525613 755917428 /nfs/dbraw/zinc/91/74/28/755917428.db2.gz BPMITANJYRGAKT-ZBFHGGJFSA-N 1 2 330.388 0.946 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@@H]1O ZINC001083525613 755917433 /nfs/dbraw/zinc/91/74/33/755917433.db2.gz BPMITANJYRGAKT-ZBFHGGJFSA-N 1 2 330.388 0.946 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)C[C@@H]1O ZINC001083526291 755922172 /nfs/dbraw/zinc/92/21/72/755922172.db2.gz KIDFWIBFCJMYRM-BJJXKVORSA-N 1 2 346.431 0.116 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC2)C[C@@H]1O ZINC001083526291 755922176 /nfs/dbraw/zinc/92/21/76/755922176.db2.gz KIDFWIBFCJMYRM-BJJXKVORSA-N 1 2 346.431 0.116 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)[C@H]1C ZINC001088828600 755959785 /nfs/dbraw/zinc/95/97/85/755959785.db2.gz OLAIHPBZESGINB-UTLUCORTSA-N 1 2 331.214 0.155 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)[C@H]1C ZINC001088828600 755959787 /nfs/dbraw/zinc/95/97/87/755959787.db2.gz OLAIHPBZESGINB-UTLUCORTSA-N 1 2 331.214 0.155 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)COC(C)(C)C)C2)nn1 ZINC001098661495 756061488 /nfs/dbraw/zinc/06/14/88/756061488.db2.gz OBCUJYUHFPQCDB-HNNXBMFYSA-N 1 2 333.436 0.980 20 30 ECEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(Cc3cc(C#N)ccc3F)C2)C1 ZINC001010427594 756124521 /nfs/dbraw/zinc/12/45/21/756124521.db2.gz LZUBPGRALBCYKO-RDJZCZTQSA-N 1 2 346.406 0.718 20 30 ECEDLO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(Cc3cc(C#N)ccc3F)C2)C1 ZINC001010427594 756124526 /nfs/dbraw/zinc/12/45/26/756124526.db2.gz LZUBPGRALBCYKO-RDJZCZTQSA-N 1 2 346.406 0.718 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001076305302 756337064 /nfs/dbraw/zinc/33/70/64/756337064.db2.gz WAQTXIVEQPTSOE-SUMWQHHRSA-N 1 2 336.436 0.691 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3coc(CC)n3)C2)C1=O ZINC001010700523 756416729 /nfs/dbraw/zinc/41/67/29/756416729.db2.gz NXPVYQFNMHDETJ-TZMCWYRMSA-N 1 2 332.404 0.828 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3coc(CC)n3)C2)C1=O ZINC001010700523 756416731 /nfs/dbraw/zinc/41/67/31/756416731.db2.gz NXPVYQFNMHDETJ-TZMCWYRMSA-N 1 2 332.404 0.828 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@H]32)nc1 ZINC001076476001 756562347 /nfs/dbraw/zinc/56/23/47/756562347.db2.gz PVJUWVKRXVZSRS-GOEBONIOSA-N 1 2 347.440 0.254 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@H]32)nc1 ZINC001076476001 756562350 /nfs/dbraw/zinc/56/23/50/756562350.db2.gz PVJUWVKRXVZSRS-GOEBONIOSA-N 1 2 347.440 0.254 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001076495093 756566769 /nfs/dbraw/zinc/56/67/69/756566769.db2.gz FHLALNDDFOBLIZ-SWLSCSKDSA-N 1 2 349.435 0.434 20 30 ECEDLO C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001076506125 756590350 /nfs/dbraw/zinc/59/03/50/756590350.db2.gz LWGPZHTWQYIVKW-LSDHHAIUSA-N 1 2 346.431 0.496 20 30 ECEDLO N#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4nncs4)C[C@@H]3C2)[nH]1 ZINC001048771338 756944439 /nfs/dbraw/zinc/94/44/39/756944439.db2.gz HUWSIWHDZKDGPI-PHIMTYICSA-N 1 2 328.401 0.942 20 30 ECEDLO N#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4nncs4)C[C@@H]3C2)[nH]1 ZINC001048771338 756944444 /nfs/dbraw/zinc/94/44/44/756944444.db2.gz HUWSIWHDZKDGPI-PHIMTYICSA-N 1 2 328.401 0.942 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)OCCCC)nn2)C1 ZINC001107140766 756963351 /nfs/dbraw/zinc/96/33/51/756963351.db2.gz UAZFSRGVSOUETH-CQSZACIVSA-N 1 2 333.436 0.980 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)COC)nn2)C1 ZINC001107146275 757038905 /nfs/dbraw/zinc/03/89/05/757038905.db2.gz CYHYBTCDVXSHTH-ZDUSSCGKSA-N 1 2 337.424 0.236 20 30 ECEDLO CC(C)CCOCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)C#N)nn2)C1 ZINC001107149285 757084496 /nfs/dbraw/zinc/08/44/96/757084496.db2.gz AFXPGBJJYUYSGO-CQSZACIVSA-N 1 2 348.451 0.973 20 30 ECEDLO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cncs3)C2)c1 ZINC001076782627 757107444 /nfs/dbraw/zinc/10/74/44/757107444.db2.gz SRGATYCSPUMPEE-ZIAGYGMSSA-N 1 2 328.397 0.990 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cncs3)C2)c1 ZINC001076782627 757107448 /nfs/dbraw/zinc/10/74/48/757107448.db2.gz SRGATYCSPUMPEE-ZIAGYGMSSA-N 1 2 328.397 0.990 20 30 ECEDLO C=C(C)CC[NH+]1CC(n2cc(CNC(=O)CCc3nc[nH]n3)nn2)C1 ZINC001107156200 757134463 /nfs/dbraw/zinc/13/44/63/757134463.db2.gz RVOBVWKOLYEFDV-UHFFFAOYSA-N 1 2 344.423 0.468 20 30 ECEDLO Cn1nccc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001076799177 757178034 /nfs/dbraw/zinc/17/80/34/757178034.db2.gz LCTJNXSIZVRSKF-TZMCWYRMSA-N 1 2 331.401 0.328 20 30 ECEDLO Cn1nccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001076799177 757178040 /nfs/dbraw/zinc/17/80/40/757178040.db2.gz LCTJNXSIZVRSKF-TZMCWYRMSA-N 1 2 331.401 0.328 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C3(COC)CCC3)nn2)C1 ZINC001107185251 757358181 /nfs/dbraw/zinc/35/81/81/757358181.db2.gz MMOFKADYQQTHCR-UHFFFAOYSA-N 1 2 331.420 0.591 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](OC)C3CCC3)nn2)C1 ZINC001107187299 757389926 /nfs/dbraw/zinc/38/99/26/757389926.db2.gz XCXQJCFASNZQJU-INIZCTEOSA-N 1 2 331.420 0.589 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)Cc3cncc(C)c3)nn2)C1 ZINC001107189758 757428036 /nfs/dbraw/zinc/42/80/36/757428036.db2.gz HGVUXZXNTFJZDK-UHFFFAOYSA-N 1 2 326.404 0.883 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3COC(=O)C3)C2)s1 ZINC001076884082 757457377 /nfs/dbraw/zinc/45/73/77/757457377.db2.gz IVXPMSRSANHDHW-LERXQTSPSA-N 1 2 349.412 0.234 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3COC(=O)C3)C2)s1 ZINC001076884082 757457389 /nfs/dbraw/zinc/45/73/89/757457389.db2.gz IVXPMSRSANHDHW-LERXQTSPSA-N 1 2 349.412 0.234 20 30 ECEDLO C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@@H]1O ZINC001048941114 757474113 /nfs/dbraw/zinc/47/41/13/757474113.db2.gz KAXMCCPFIYJCAS-BPUTZDHNSA-N 1 2 348.447 0.975 20 30 ECEDLO C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001048941114 757474115 /nfs/dbraw/zinc/47/41/15/757474115.db2.gz KAXMCCPFIYJCAS-BPUTZDHNSA-N 1 2 348.447 0.975 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@H]2O)[nH]1 ZINC001076898282 757516021 /nfs/dbraw/zinc/51/60/21/757516021.db2.gz BMNIOPZLCHWGCU-ZIAGYGMSSA-N 1 2 348.794 0.211 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@H]2O)[nH]1 ZINC001076898282 757516028 /nfs/dbraw/zinc/51/60/28/757516028.db2.gz BMNIOPZLCHWGCU-ZIAGYGMSSA-N 1 2 348.794 0.211 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)c3cncnc3)nn2)C1 ZINC001107199829 757589768 /nfs/dbraw/zinc/58/97/68/757589768.db2.gz PSOCPVJHGFRDCE-ZDUSSCGKSA-N 1 2 339.403 0.368 20 30 ECEDLO Cc1nc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)co1 ZINC001076918157 757591758 /nfs/dbraw/zinc/59/17/58/757591758.db2.gz NVNIJMVPEALYFQ-GDBMZVCRSA-N 1 2 326.356 0.830 20 30 ECEDLO Cc1nc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)co1 ZINC001076918157 757591763 /nfs/dbraw/zinc/59/17/63/757591763.db2.gz NVNIJMVPEALYFQ-GDBMZVCRSA-N 1 2 326.356 0.830 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cc[nH]c3CC)C2)nn1 ZINC001098667275 757637620 /nfs/dbraw/zinc/63/76/20/757637620.db2.gz WBAAUEBSPMWECA-AWEZNQCLSA-N 1 2 326.404 0.979 20 30 ECEDLO C=CCC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001049000957 757655132 /nfs/dbraw/zinc/65/51/32/757655132.db2.gz WVBHIQQHGBYINA-GJZGRUSLSA-N 1 2 348.447 0.975 20 30 ECEDLO C=CCC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001049000957 757655138 /nfs/dbraw/zinc/65/51/38/757655138.db2.gz WVBHIQQHGBYINA-GJZGRUSLSA-N 1 2 348.447 0.975 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C[C@@H]3CC[C@H](C)O3)nn2)C1 ZINC001107205293 757660039 /nfs/dbraw/zinc/66/00/39/757660039.db2.gz SAGYBECPXUCEKS-BBRMVZONSA-N 1 2 331.420 0.732 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)C[C@@H]3C[C@H]3C)nn2)C1 ZINC001107205480 757660344 /nfs/dbraw/zinc/66/03/44/757660344.db2.gz XPISLJWQZHOCHE-KGLIPLIRSA-N 1 2 333.436 1.000 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1c1cnc(C#N)cn1 ZINC001049021745 757719881 /nfs/dbraw/zinc/71/98/81/757719881.db2.gz FHUDKAOJOKKOGU-UONOGXRCSA-N 1 2 325.376 0.788 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001049034133 757748947 /nfs/dbraw/zinc/74/89/47/757748947.db2.gz DOKIDFQJKRWTCO-KKUMJFAQSA-N 1 2 334.420 0.516 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3C)C[C@@H]2C1 ZINC001049069328 757871761 /nfs/dbraw/zinc/87/17/61/757871761.db2.gz BRYKWVMNMWCECU-BARDWOONSA-N 1 2 331.420 0.296 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3C)C[C@@H]2C1 ZINC001049069328 757871771 /nfs/dbraw/zinc/87/17/71/757871771.db2.gz BRYKWVMNMWCECU-BARDWOONSA-N 1 2 331.420 0.296 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C[C@H](OC)C(F)(F)F)nn2)C1 ZINC001107227040 757885750 /nfs/dbraw/zinc/88/57/50/757885750.db2.gz BHZQPTUDGXWDPU-LBPRGKRZSA-N 1 2 347.341 0.904 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)COCc3cccnc3)nn2)C1 ZINC001107234223 757977608 /nfs/dbraw/zinc/97/76/08/757977608.db2.gz XNIJNIOUVSAMNU-UHFFFAOYSA-N 1 2 342.403 0.549 20 30 ECEDLO C=CCC[NH+]1CC(n2cc(CNC(=O)Cn3ccnc3C)nn2)C1 ZINC001107236352 758026950 /nfs/dbraw/zinc/02/69/50/758026950.db2.gz WTPPDYNHHJOKPY-UHFFFAOYSA-N 1 2 329.408 0.532 20 30 ECEDLO C=CCCN1CC(n2cc(CNC(=O)Cn3cc[nH+]c3C)nn2)C1 ZINC001107236352 758026967 /nfs/dbraw/zinc/02/69/67/758026967.db2.gz WTPPDYNHHJOKPY-UHFFFAOYSA-N 1 2 329.408 0.532 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)C[C@H]3CCCO3)nn2)C1 ZINC001107241438 758044251 /nfs/dbraw/zinc/04/42/51/758044251.db2.gz UUHJZWFGDXJFOK-RHSMWYFYSA-N 1 2 345.447 0.980 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)nc1 ZINC001022035979 758191718 /nfs/dbraw/zinc/19/17/18/758191718.db2.gz GMCJXIPGAWNIPY-DOTOQJQBSA-N 1 2 349.394 0.633 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCN(C(=O)Cc3c[nH+]cn3C)CC2)nc1 ZINC001011644548 758198580 /nfs/dbraw/zinc/19/85/80/758198580.db2.gz QEFLTGRVDUVRAM-UHFFFAOYSA-N 1 2 337.383 0.324 20 30 ECEDLO C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001077114302 758218314 /nfs/dbraw/zinc/21/83/14/758218314.db2.gz NAIMUZXJBOXZAB-KBPBESRZSA-N 1 2 334.420 0.659 20 30 ECEDLO C#CCOc1ccc(C(=O)NC2CN(C(=O)Cc3[nH]cc[nH+]3)C2)cc1 ZINC000991671918 762614693 /nfs/dbraw/zinc/61/46/93/762614693.db2.gz LVJOHESKTFXMBX-UHFFFAOYSA-N 1 2 338.367 0.605 20 30 ECEDLO CO[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001212127645 758379206 /nfs/dbraw/zinc/37/92/06/758379206.db2.gz UDAZNTSXFCUDQF-ZIAGYGMSSA-N 1 2 347.419 0.230 20 30 ECEDLO CO[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001212127645 758379214 /nfs/dbraw/zinc/37/92/14/758379214.db2.gz UDAZNTSXFCUDQF-ZIAGYGMSSA-N 1 2 347.419 0.230 20 30 ECEDLO C=CCn1cc(C(=O)NC2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)nn1 ZINC000991673171 762625065 /nfs/dbraw/zinc/62/50/65/762625065.db2.gz JWFDQARXSJIHCX-UHFFFAOYSA-N 1 2 343.391 0.106 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCN(c3[nH+]cnc4c3cnn4C)C[C@H]2C1 ZINC001049249071 758432562 /nfs/dbraw/zinc/43/25/62/758432562.db2.gz VFSMYRPDQYMQMU-XQQFMLRXSA-N 1 2 339.403 0.808 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2nnc(CC)[nH]2)C1 ZINC001022220422 758439339 /nfs/dbraw/zinc/43/93/39/758439339.db2.gz CCWATJOFDWSTNJ-KBXIAJHMSA-N 1 2 344.463 0.763 20 30 ECEDLO N#Cc1cnccc1NC/C=C\CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001107393180 758449092 /nfs/dbraw/zinc/44/90/92/758449092.db2.gz ALZKBIQSZOOINH-BOPNBLERSA-N 1 2 336.399 0.919 20 30 ECEDLO Cn1ncc(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)c2cc(C#N)c[nH]2)n1 ZINC001049399690 758632321 /nfs/dbraw/zinc/63/23/21/758632321.db2.gz AXVCYVQZIYJKQQ-HOTGVXAUSA-N 1 2 339.403 0.894 20 30 ECEDLO Cn1ncc(C[N@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)c2cc(C#N)c[nH]2)n1 ZINC001049399690 758632331 /nfs/dbraw/zinc/63/23/31/758632331.db2.gz AXVCYVQZIYJKQQ-HOTGVXAUSA-N 1 2 339.403 0.894 20 30 ECEDLO Cn1[nH]c(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)C#CC2CC2)nc1=O ZINC001049468005 758763399 /nfs/dbraw/zinc/76/33/99/758763399.db2.gz SAETWSFJYYYUDW-ZIAGYGMSSA-N 1 2 329.404 0.087 20 30 ECEDLO Cn1[nH]c(C[N@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)C#CC2CC2)nc1=O ZINC001049468005 758763408 /nfs/dbraw/zinc/76/34/08/758763408.db2.gz SAETWSFJYYYUDW-ZIAGYGMSSA-N 1 2 329.404 0.087 20 30 ECEDLO C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001049549197 758908927 /nfs/dbraw/zinc/90/89/27/758908927.db2.gz OGLZPQQCRDFTOU-CABCVRRESA-N 1 2 336.457 0.510 20 30 ECEDLO C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001049549197 758908935 /nfs/dbraw/zinc/90/89/35/758908935.db2.gz OGLZPQQCRDFTOU-CABCVRRESA-N 1 2 336.457 0.510 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001011916012 758940471 /nfs/dbraw/zinc/94/04/71/758940471.db2.gz YUNOXIBIRLSEPA-SMDDNHRTSA-N 1 2 340.387 0.582 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H]2C)cn1 ZINC001011935762 758997094 /nfs/dbraw/zinc/99/70/94/758997094.db2.gz GTYNVZPKSVFIRY-XJKSGUPXSA-N 1 2 337.383 0.679 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C)nc1 ZINC001011939190 759006696 /nfs/dbraw/zinc/00/66/96/759006696.db2.gz XLGKHYCOMBOARA-SWLSCSKDSA-N 1 2 337.383 0.748 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(N)=O ZINC001049692127 759105711 /nfs/dbraw/zinc/10/57/11/759105711.db2.gz QAZRDWQYFPNHOF-GJZGRUSLSA-N 1 2 330.363 0.748 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(N)=O ZINC001049692127 759105713 /nfs/dbraw/zinc/10/57/13/759105713.db2.gz QAZRDWQYFPNHOF-GJZGRUSLSA-N 1 2 330.363 0.748 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCS(=O)(=O)C1 ZINC001049770508 759185548 /nfs/dbraw/zinc/18/55/48/759185548.db2.gz VGUNIZPWRPGMMW-HRCADAONSA-N 1 2 338.473 0.900 20 30 ECEDLO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCS(=O)(=O)C1 ZINC001049770508 759185550 /nfs/dbraw/zinc/18/55/50/759185550.db2.gz VGUNIZPWRPGMMW-HRCADAONSA-N 1 2 338.473 0.900 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(Br)c[nH]2)[C@@H](O)C1 ZINC001083614585 759314855 /nfs/dbraw/zinc/31/48/55/759314855.db2.gz DAKIWJVKZMFHAK-NEPJUHHUSA-N 1 2 326.194 0.575 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(Br)c[nH]2)[C@@H](O)C1 ZINC001083614585 759314865 /nfs/dbraw/zinc/31/48/65/759314865.db2.gz DAKIWJVKZMFHAK-NEPJUHHUSA-N 1 2 326.194 0.575 20 30 ECEDLO N#Cc1nccc(N[C@H]2CCCCCN(C(=O)Cc3c[nH+]c[nH]3)C2)n1 ZINC001049971532 759476387 /nfs/dbraw/zinc/47/63/87/759476387.db2.gz BJPKUCPMRAYORN-ZDUSSCGKSA-N 1 2 339.403 0.919 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2NC/C=C/CNC(=O)CSCC#N ZINC001107049573 759542121 /nfs/dbraw/zinc/54/21/21/759542121.db2.gz TTYCENMERFXENY-NSCUHMNNSA-N 1 2 331.405 0.704 20 30 ECEDLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001050097107 759694881 /nfs/dbraw/zinc/69/48/81/759694881.db2.gz CXQABZWMQZRWLO-NEPJUHHUSA-N 1 2 335.433 0.562 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001050099362 759700887 /nfs/dbraw/zinc/70/08/87/759700887.db2.gz YYVXWAWHHXVXED-AAEUAGOBSA-N 1 2 349.460 0.871 20 30 ECEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCN3C(N)=O)cc2C1 ZINC001054293381 767901527 /nfs/dbraw/zinc/90/15/27/767901527.db2.gz HQKMJMXIVPRWJJ-INIZCTEOSA-N 1 2 326.400 0.795 20 30 ECEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCN3C(N)=O)cc2C1 ZINC001054293381 767901530 /nfs/dbraw/zinc/90/15/30/767901530.db2.gz HQKMJMXIVPRWJJ-INIZCTEOSA-N 1 2 326.400 0.795 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NCC2=CCN(C(=O)Cn3cc[nH+]c3)CC2)c1 ZINC001017367473 767897647 /nfs/dbraw/zinc/89/76/47/767897647.db2.gz NUGGJHXDQFLYSG-UHFFFAOYSA-N 1 2 338.371 0.672 20 30 ECEDLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000945387875 760188579 /nfs/dbraw/zinc/18/85/79/760188579.db2.gz YCMBRLSHYNMCTK-GXTWGEPZSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001050493547 760359718 /nfs/dbraw/zinc/35/97/18/760359718.db2.gz ZQJAOCQDXGBSIU-VXGBXAGGSA-N 1 2 340.387 0.819 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)[C@@H]1C ZINC001050502424 760376892 /nfs/dbraw/zinc/37/68/92/760376892.db2.gz GTXGKTZYVGCKLG-NEPJUHHUSA-N 1 2 325.376 0.706 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3ccc[nH]3)nn2)C1 ZINC001107122602 760466924 /nfs/dbraw/zinc/46/69/24/760466924.db2.gz GTGVZVMEPOGSHL-UHFFFAOYSA-N 1 2 330.392 0.596 20 30 ECEDLO C#CCOCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001050579395 760525638 /nfs/dbraw/zinc/52/56/38/760525638.db2.gz BARMRSWVKINRIY-CABCVRRESA-N 1 2 346.431 0.735 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3OCC)nn2)C1 ZINC001107132599 760551681 /nfs/dbraw/zinc/55/16/81/760551681.db2.gz ZXUAYTGIVPXGLR-HZPDHXFCSA-N 1 2 349.435 0.379 20 30 ECEDLO N#CCN1CCC2(CN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)C2)CC1 ZINC001050604289 760559013 /nfs/dbraw/zinc/55/90/13/760559013.db2.gz MPIBNFNCXMKKKT-KRWDZBQOSA-N 1 2 346.475 0.935 20 30 ECEDLO N#CCN1CCC2(CN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)C2)CC1 ZINC001050604289 760559022 /nfs/dbraw/zinc/55/90/22/760559022.db2.gz MPIBNFNCXMKKKT-KRWDZBQOSA-N 1 2 346.475 0.935 20 30 ECEDLO C[C@@H](CCNc1[nH+]cnc2c1cnn2C)NC(=O)CSCC#N ZINC001106230066 767991906 /nfs/dbraw/zinc/99/19/06/767991906.db2.gz GQEHFGRNTQPCJA-JTQLQIEISA-N 1 2 333.421 0.927 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnc(N(C)C)cn1 ZINC001050916244 761135395 /nfs/dbraw/zinc/13/53/95/761135395.db2.gz CBZJWYJRMIQBQH-AWEZNQCLSA-N 1 2 333.436 0.939 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnc(N(C)C)cn1 ZINC001050916244 761135397 /nfs/dbraw/zinc/13/53/97/761135397.db2.gz CBZJWYJRMIQBQH-AWEZNQCLSA-N 1 2 333.436 0.939 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)CC)C[C@H]1OC ZINC001212146678 761211595 /nfs/dbraw/zinc/21/15/95/761211595.db2.gz UYIWEXBDWJFPOK-HZPDHXFCSA-N 1 2 337.464 0.864 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)CC)C[C@H]1OC ZINC001212146678 761211602 /nfs/dbraw/zinc/21/16/02/761211602.db2.gz UYIWEXBDWJFPOK-HZPDHXFCSA-N 1 2 337.464 0.864 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(CC=C)C2=O)C[C@H]1OC ZINC001212146796 761213827 /nfs/dbraw/zinc/21/38/27/761213827.db2.gz YOWGCHAQWTWHLX-BRWVUGGUSA-N 1 2 347.459 0.782 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(CC=C)C2=O)C[C@H]1OC ZINC001212146796 761213829 /nfs/dbraw/zinc/21/38/29/761213829.db2.gz YOWGCHAQWTWHLX-BRWVUGGUSA-N 1 2 347.459 0.782 20 30 ECEDLO C[C@@H](NC(=O)CSCC#N)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001050993436 761289253 /nfs/dbraw/zinc/28/92/53/761289253.db2.gz MZYAHJJHLSOMJX-CHWSQXEVSA-N 1 2 349.460 0.952 20 30 ECEDLO C[C@@H](NC(=O)CSCC#N)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001050993436 761289258 /nfs/dbraw/zinc/28/92/58/761289258.db2.gz MZYAHJJHLSOMJX-CHWSQXEVSA-N 1 2 349.460 0.952 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@H]([C@@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001051019183 761348091 /nfs/dbraw/zinc/34/80/91/761348091.db2.gz VDRHDHDOFKIROZ-CABCVRRESA-N 1 2 348.447 0.909 20 30 ECEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](C)OCCOC)CC2)C1 ZINC001105726897 761360635 /nfs/dbraw/zinc/36/06/35/761360635.db2.gz WCVSRIRREYUQTH-AWEZNQCLSA-N 1 2 326.437 0.916 20 30 ECEDLO C[C@@H](NC(=O)CSCC#N)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001051058675 761411286 /nfs/dbraw/zinc/41/12/86/761411286.db2.gz FEZZOGQUMYSSSA-CHWSQXEVSA-N 1 2 335.433 0.493 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2COCC[N@@H+]2CC[C@@H]2CCOC2)c1 ZINC001051106894 761502128 /nfs/dbraw/zinc/50/21/28/761502128.db2.gz QFSVAYBOTZHPEV-SJLPKXTDSA-N 1 2 343.427 0.920 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2COCC[N@H+]2CC[C@@H]2CCOC2)c1 ZINC001051106894 761502130 /nfs/dbraw/zinc/50/21/30/761502130.db2.gz QFSVAYBOTZHPEV-SJLPKXTDSA-N 1 2 343.427 0.920 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2COCC[N@@H+]2C[C@@H]2CCOC2)c1 ZINC001051108039 761504655 /nfs/dbraw/zinc/50/46/55/761504655.db2.gz XPASMCSYCSIHOM-RDJZCZTQSA-N 1 2 329.400 0.530 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2COCC[N@H+]2C[C@@H]2CCOC2)c1 ZINC001051108039 761504663 /nfs/dbraw/zinc/50/46/63/761504663.db2.gz XPASMCSYCSIHOM-RDJZCZTQSA-N 1 2 329.400 0.530 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001051162191 761588137 /nfs/dbraw/zinc/58/81/37/761588137.db2.gz PUYGCVDYNSKQRT-IXDOHACOSA-N 1 2 348.447 0.681 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001051162191 761588141 /nfs/dbraw/zinc/58/81/41/761588141.db2.gz PUYGCVDYNSKQRT-IXDOHACOSA-N 1 2 348.447 0.681 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001051185752 761641310 /nfs/dbraw/zinc/64/13/10/761641310.db2.gz YPPOCQYZNNNJLC-HUUCEWRRSA-N 1 2 349.435 0.321 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001051185752 761641315 /nfs/dbraw/zinc/64/13/15/761641315.db2.gz YPPOCQYZNNNJLC-HUUCEWRRSA-N 1 2 349.435 0.321 20 30 ECEDLO C#CCN1CCOC[C@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001051191379 761654858 /nfs/dbraw/zinc/65/48/58/761654858.db2.gz DPEBSSCHRKZLMM-OAHLLOKOSA-N 1 2 325.372 0.331 20 30 ECEDLO Cc1nc(-n2cccn2)c(C)c(NC[C@H](O)CNC(=O)[C@@H](C)C#N)[nH+]1 ZINC001105773597 761699641 /nfs/dbraw/zinc/69/96/41/761699641.db2.gz KCJYLTGKPPAZNV-GWCFXTLKSA-N 1 2 343.391 0.328 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCCN2Cc2c[nH+]cn2C)nc1 ZINC001051214923 761704385 /nfs/dbraw/zinc/70/43/85/761704385.db2.gz PLFIHHRKURJQBI-MRXNPFEDSA-N 1 2 339.399 0.427 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001060286789 761789310 /nfs/dbraw/zinc/78/93/10/761789310.db2.gz SMFYNGZEPIOUGD-KBPBESRZSA-N 1 2 331.420 0.867 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CC(C)(C)O)C1=O ZINC001017516794 768077387 /nfs/dbraw/zinc/07/73/87/768077387.db2.gz WPGOUGCLSMOJSQ-ZNMIVQPWSA-N 1 2 335.448 0.610 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CC(C)(C)O)C1=O ZINC001017516794 768077391 /nfs/dbraw/zinc/07/73/91/768077391.db2.gz WPGOUGCLSMOJSQ-ZNMIVQPWSA-N 1 2 335.448 0.610 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)/C=C\c2ccc[nH]2)[C@H](OC)C1 ZINC001212175090 762708789 /nfs/dbraw/zinc/70/87/89/762708789.db2.gz GJDSSJOIYONAPN-GORQFHSWSA-N 1 2 346.431 0.534 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)/C=C\c2ccc[nH]2)[C@H](OC)C1 ZINC001212175090 762708792 /nfs/dbraw/zinc/70/87/92/762708792.db2.gz GJDSSJOIYONAPN-GORQFHSWSA-N 1 2 346.431 0.534 20 30 ECEDLO Cc1nsc(N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](O)C2)c1C#N ZINC001051716835 762784149 /nfs/dbraw/zinc/78/41/49/762784149.db2.gz BKDWVGJPMOSPBA-NEPJUHHUSA-N 1 2 346.416 0.345 20 30 ECEDLO Cc1nsc(NC[C@@H](O)CNC(=O)CCc2c[nH+]cn2C)c1C#N ZINC001105928260 762839251 /nfs/dbraw/zinc/83/92/51/762839251.db2.gz SDLBFHHLSDYORJ-LBPRGKRZSA-N 1 2 348.432 0.579 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCO[C@H](C[NH2+]Cc2nc(COC)no2)C1 ZINC001051756035 762887466 /nfs/dbraw/zinc/88/74/66/762887466.db2.gz NHEOLVIHCTYNDK-GFCCVEGCSA-N 1 2 338.408 0.745 20 30 ECEDLO N#Cc1sc(NC[C@H](O)CNC(=O)Cc2[nH]cc[nH+]2)nc1Cl ZINC001105938261 762941338 /nfs/dbraw/zinc/94/13/38/762941338.db2.gz WLDSGQABTZITEG-SSDOTTSWSA-N 1 2 340.796 0.523 20 30 ECEDLO C=CC(C)(C)CC(=O)NC[C@@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001105980227 763213944 /nfs/dbraw/zinc/21/39/44/763213944.db2.gz NOUGVGXRRBPDJL-LLVKDONJSA-N 1 2 332.408 0.855 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001014878530 763356685 /nfs/dbraw/zinc/35/66/85/763356685.db2.gz BEDIVMVGCUOOMX-FZMZJTMJSA-N 1 2 340.387 0.961 20 30 ECEDLO C=CCn1cccc1C(=O)NC1C[NH+](C[C@H]2CCc3ncnn32)C1 ZINC001030447882 763367249 /nfs/dbraw/zinc/36/72/49/763367249.db2.gz PWAQBNQABIHUEJ-CQSZACIVSA-N 1 2 326.404 0.867 20 30 ECEDLO C=CCN1CC[C@@H](N2CC[NH+]([C@H]3CCN(C(=O)CCC)C3)CC2)C1=O ZINC001051971638 763483030 /nfs/dbraw/zinc/48/30/30/763483030.db2.gz XGSRSNMRZRGKNU-DLBZAZTESA-N 1 2 348.491 0.792 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN([C@H]3CCN(C(=O)CCC)C3)CC2)C1=O ZINC001051971638 763483035 /nfs/dbraw/zinc/48/30/35/763483035.db2.gz XGSRSNMRZRGKNU-DLBZAZTESA-N 1 2 348.491 0.792 20 30 ECEDLO C=CCN1CC[C@H](N2CC[NH+]([C@@H]3CCN(C(=O)CCC)C3)CC2)C1=O ZINC001051971641 763483212 /nfs/dbraw/zinc/48/32/12/763483212.db2.gz XGSRSNMRZRGKNU-SJORKVTESA-N 1 2 348.491 0.792 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCN([C@@H]3CCN(C(=O)CCC)C3)CC2)C1=O ZINC001051971641 763483220 /nfs/dbraw/zinc/48/32/20/763483220.db2.gz XGSRSNMRZRGKNU-SJORKVTESA-N 1 2 348.491 0.792 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)CN3CCCC3=O)C2)CC1 ZINC001051976797 763495591 /nfs/dbraw/zinc/49/55/91/763495591.db2.gz AMYDHJDYDJYQKQ-INIZCTEOSA-N 1 2 334.464 0.403 20 30 ECEDLO C[C@@H](C#N)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C2 ZINC001054658444 768139595 /nfs/dbraw/zinc/13/95/95/768139595.db2.gz REEZRAZIVJIXAD-VIRABCJISA-N 1 2 329.404 0.998 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)CCn3cncn3)C2)CC1 ZINC001051982137 763511150 /nfs/dbraw/zinc/51/11/50/763511150.db2.gz YXJQZYKOYULSRN-MRXNPFEDSA-N 1 2 332.452 0.463 20 30 ECEDLO Cc1cnc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)nc1 ZINC001051997390 763547684 /nfs/dbraw/zinc/54/76/84/763547684.db2.gz BFVFCKDARRCXBJ-HZPDHXFCSA-N 1 2 342.447 0.663 20 30 ECEDLO Cc1ncc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)cn1 ZINC001051997906 763549179 /nfs/dbraw/zinc/54/91/79/763549179.db2.gz KNIJWKGUBIMYAJ-WMLDXEAASA-N 1 2 342.447 0.663 20 30 ECEDLO Cc1nc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)co1 ZINC001051998253 763550074 /nfs/dbraw/zinc/55/00/74/763550074.db2.gz QBQRMNIQABQLAB-BBRMVZONSA-N 1 2 331.420 0.861 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(Cc3cnn(C)c3)CC2)C1 ZINC001051998239 763550453 /nfs/dbraw/zinc/55/04/53/763550453.db2.gz PYKJTGNHFADARO-HOCLYGCPSA-N 1 2 330.436 0.298 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(CCc3ccnn3C)CC2)C1 ZINC001051998287 763551226 /nfs/dbraw/zinc/55/12/26/763551226.db2.gz QZEQVNKVGCDTRE-RDJZCZTQSA-N 1 2 344.463 0.341 20 30 ECEDLO Cc1cnc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)cn1 ZINC001051998580 763551556 /nfs/dbraw/zinc/55/15/56/763551556.db2.gz VWSASDCYJVDEGO-PBHICJAKSA-N 1 2 342.447 0.663 20 30 ECEDLO Cc1nn(C)cc1CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001051998371 763551580 /nfs/dbraw/zinc/55/15/80/763551580.db2.gz SAKLKIXZIPAUGQ-RHSMWYFYSA-N 1 2 344.463 0.607 20 30 ECEDLO Cc1nn(C)cc1C[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001051998371 763551584 /nfs/dbraw/zinc/55/15/84/763551584.db2.gz SAKLKIXZIPAUGQ-RHSMWYFYSA-N 1 2 344.463 0.607 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)n3cncn3)C2)CC1 ZINC001052017895 763595673 /nfs/dbraw/zinc/59/56/73/763595673.db2.gz YCOMAQQHRVZWGP-CVEARBPZSA-N 1 2 332.452 0.634 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)Cc3cncnc3)C2)CC1 ZINC001052019799 763601026 /nfs/dbraw/zinc/60/10/26/763601026.db2.gz BGGYAVBMZHJLQC-INIZCTEOSA-N 1 2 349.866 0.990 20 30 ECEDLO Cc1nnc(CN2CC[NH+]([C@H]3CCN(C(=O)C#CC4CC4)C3)CC2)o1 ZINC001052026291 763619096 /nfs/dbraw/zinc/61/90/96/763619096.db2.gz OCHCKDLNOJSPTA-INIZCTEOSA-N 1 2 343.431 0.510 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCO[C@H]3C=C)C2)CC1 ZINC001052030823 763630467 /nfs/dbraw/zinc/63/04/67/763630467.db2.gz WBUPCPRUBFNFIU-KURKYZTESA-N 1 2 331.460 0.819 20 30 ECEDLO Cn1nc(C2CC2)cc1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052036017 763646889 /nfs/dbraw/zinc/64/68/89/763646889.db2.gz XABZIQMRVUYJIM-OAHLLOKOSA-N 1 2 342.447 0.653 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3cn(C)nc3C)C2)CC1 ZINC001052037049 763653573 /nfs/dbraw/zinc/65/35/73/763653573.db2.gz CUJDOKLURMZKRK-QGZVFWFLSA-N 1 2 329.448 0.123 20 30 ECEDLO N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)cn1 ZINC001106008018 763663982 /nfs/dbraw/zinc/66/39/82/763663982.db2.gz UORDOUFOJDDJGR-WBMJQRKESA-N 1 2 340.387 0.301 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCn4cncc4C3)C2)CC1 ZINC001052042907 763672331 /nfs/dbraw/zinc/67/23/31/763672331.db2.gz KACJDOPBLYHFLP-JKSUJKDBSA-N 1 2 342.447 0.188 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCc4cncn4C3)C2)CC1 ZINC001052044063 763676359 /nfs/dbraw/zinc/67/63/59/763676359.db2.gz BYJPLBKLEXIXIP-WBVHZDCISA-N 1 2 342.447 0.188 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001052045782 763684431 /nfs/dbraw/zinc/68/44/31/763684431.db2.gz ULVXKEPDVHXARJ-QWHCGFSZSA-N 1 2 335.433 0.351 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1CNc1ccnc(C#N)n1 ZINC001054673796 768153617 /nfs/dbraw/zinc/15/36/17/768153617.db2.gz AVBYZYZRTNFROT-CHWSQXEVSA-N 1 2 339.403 0.632 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1CNc1ccnc(C#N)n1 ZINC001054673796 768153620 /nfs/dbraw/zinc/15/36/20/768153620.db2.gz AVBYZYZRTNFROT-CHWSQXEVSA-N 1 2 339.403 0.632 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(OC)n(C)n3)C2)CC1 ZINC001052048920 763698643 /nfs/dbraw/zinc/69/86/43/763698643.db2.gz GOOMDAQCBPJBHF-CQSZACIVSA-N 1 2 333.436 0.447 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C2)CC1 ZINC001052049813 763703639 /nfs/dbraw/zinc/70/36/39/763703639.db2.gz QHOAAOMITAORHT-OAHLLOKOSA-N 1 2 345.447 0.684 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1nc(COC)no1 ZINC001124487635 763742549 /nfs/dbraw/zinc/74/25/49/763742549.db2.gz GCQQPEJYUMWJFS-NEPJUHHUSA-N 1 2 326.397 0.964 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(OC)ccn3)C2)CC1 ZINC001052061027 763743164 /nfs/dbraw/zinc/74/31/64/763743164.db2.gz QRIKVLBSMUZVOD-OAHLLOKOSA-N 1 2 328.416 0.556 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(OC)ccn3)C2)CC1 ZINC001052061027 763743170 /nfs/dbraw/zinc/74/31/70/763743170.db2.gz QRIKVLBSMUZVOD-OAHLLOKOSA-N 1 2 328.416 0.556 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(Cc3nnn(C)n3)CC2)C1 ZINC001052063527 763749312 /nfs/dbraw/zinc/74/93/12/763749312.db2.gz VKJHNTXKBLTGIM-AWEZNQCLSA-N 1 2 347.467 0.141 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@]3(C)CCC(=O)NC3)C2)CC1 ZINC001052068344 763761314 /nfs/dbraw/zinc/76/13/14/763761314.db2.gz GGHFJRQRDPHGSV-QFBILLFUSA-N 1 2 348.491 0.697 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc4n[nH]cc4c3)C2)CC1 ZINC001052069206 763764940 /nfs/dbraw/zinc/76/49/40/763764940.db2.gz TWGOJSQNQZKIIY-MRXNPFEDSA-N 1 2 338.415 0.919 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)c3c(C)nc[nH]c3=O)C2)CC1 ZINC001052069246 763764984 /nfs/dbraw/zinc/76/49/84/763764984.db2.gz VCZVNEOJQFQBMM-OAHLLOKOSA-N 1 2 345.447 0.899 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)CC1 ZINC001052073704 763778311 /nfs/dbraw/zinc/77/83/11/763778311.db2.gz MVSCCFBAODFWQC-CYBMUJFWSA-N 1 2 340.855 0.223 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([NH+]3CCN(CC(=O)NC)CC3)C2)C1 ZINC001052080693 763795961 /nfs/dbraw/zinc/79/59/61/763795961.db2.gz GFLQNGAOHJWLNA-OAHLLOKOSA-N 1 2 334.464 0.307 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)Cn3cc(Cl)cn3)C2)CC1 ZINC001052087382 763818306 /nfs/dbraw/zinc/81/83/06/763818306.db2.gz UYMQKXQALBJUSO-MRXNPFEDSA-N 1 2 349.866 0.778 20 30 ECEDLO C#CCOCCC(=O)N(C)C[C@@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001124520954 763820269 /nfs/dbraw/zinc/82/02/69/763820269.db2.gz YRNCXDZTOUOMFP-HNNXBMFYSA-N 1 2 346.431 0.934 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cncc(OC)n3)C2)CC1 ZINC001052093993 763837855 /nfs/dbraw/zinc/83/78/55/763837855.db2.gz VEDCFNGGEFQWSN-HNNXBMFYSA-N 1 2 343.431 0.341 20 30 ECEDLO COc1c(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)c(C)nn1C ZINC001052094591 763841630 /nfs/dbraw/zinc/84/16/30/763841630.db2.gz VQXDYLMSNGRORR-AWEZNQCLSA-N 1 2 346.435 0.093 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)c3c(C)n[nH]c3C)C2)CC1 ZINC001052097974 763851962 /nfs/dbraw/zinc/85/19/62/763851962.db2.gz AWTMBMHNBBFUPF-RHSMWYFYSA-N 1 2 343.475 0.982 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn(CC)nn3)C2)CC1 ZINC001052103305 763869111 /nfs/dbraw/zinc/86/91/11/763869111.db2.gz OXXBDYWJKKTLNT-OAHLLOKOSA-N 1 2 330.436 0.153 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ncccc3OC)C2)CC1 ZINC001052111883 763905132 /nfs/dbraw/zinc/90/51/32/763905132.db2.gz GIIFMLYJJOFTTB-MRXNPFEDSA-N 1 2 342.443 0.946 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3ccc(C)o3)C2)C1=O ZINC001047292659 763905444 /nfs/dbraw/zinc/90/54/44/763905444.db2.gz LCXJBBBZADIMQJ-KKUMJFAQSA-N 1 2 347.415 0.492 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3ccc(C)o3)C2)C1=O ZINC001047292659 763905448 /nfs/dbraw/zinc/90/54/48/763905448.db2.gz LCXJBBBZADIMQJ-KKUMJFAQSA-N 1 2 347.415 0.492 20 30 ECEDLO CN(C(=O)[C@H]1CCCO1)[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@@H]1O ZINC001047295465 763911788 /nfs/dbraw/zinc/91/17/88/763911788.db2.gz MAUWLKSBGNRLLA-YESZJQIVSA-N 1 2 347.390 0.880 20 30 ECEDLO CN(C(=O)[C@H]1CCCO1)[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1O ZINC001047295465 763911791 /nfs/dbraw/zinc/91/17/91/763911791.db2.gz MAUWLKSBGNRLLA-YESZJQIVSA-N 1 2 347.390 0.880 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)n3nc(C)cc3C)C2)CC1 ZINC001052121817 763943302 /nfs/dbraw/zinc/94/33/02/763943302.db2.gz HVQLQLIEUVGOIH-MSOLQXFVSA-N 1 2 343.475 0.913 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C2)CC1 ZINC001052121669 763943631 /nfs/dbraw/zinc/94/36/31/763943631.db2.gz GOAJSFWRYAIWDJ-HNNXBMFYSA-N 1 2 347.463 0.132 20 30 ECEDLO CN(C(=O)c1cc[nH]n1)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047310958 763953658 /nfs/dbraw/zinc/95/36/58/763953658.db2.gz KJNLLGVDWAYOSU-KBPBESRZSA-N 1 2 331.401 0.660 20 30 ECEDLO CN(C(=O)c1cc[nH]n1)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047310958 763953664 /nfs/dbraw/zinc/95/36/64/763953664.db2.gz KJNLLGVDWAYOSU-KBPBESRZSA-N 1 2 331.401 0.660 20 30 ECEDLO CN(C(=O)[C@@H]1CCOC1)[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001047320910 763985319 /nfs/dbraw/zinc/98/53/19/763985319.db2.gz AJLYIRLTXDWADU-COXVUDFISA-N 1 2 347.390 0.737 20 30 ECEDLO CN(C(=O)[C@@H]1CCOC1)[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001047320910 763985322 /nfs/dbraw/zinc/98/53/22/763985322.db2.gz AJLYIRLTXDWADU-COXVUDFISA-N 1 2 347.390 0.737 20 30 ECEDLO Cc1ncc(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)cn1 ZINC001047337999 764046259 /nfs/dbraw/zinc/04/62/59/764046259.db2.gz OTBYEHDXVWTIHW-HOTGVXAUSA-N 1 2 340.387 0.302 20 30 ECEDLO Cc1ncc(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)cn1 ZINC001047337999 764046267 /nfs/dbraw/zinc/04/62/67/764046267.db2.gz OTBYEHDXVWTIHW-HOTGVXAUSA-N 1 2 340.387 0.302 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1C(=O)c1c[nH]c(C#N)c1 ZINC001015172735 764067460 /nfs/dbraw/zinc/06/74/60/764067460.db2.gz GNVMGJCVJFZRBX-BXUZGUMPSA-N 1 2 340.387 0.961 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001032040683 764246452 /nfs/dbraw/zinc/24/64/52/764246452.db2.gz QETMPHKMSVEHGR-RDJZCZTQSA-N 1 2 335.448 0.638 20 30 ECEDLO C=CCCn1cc(C(=O)NCC2C[NH+](CC(=O)N3CCCC3)C2)nn1 ZINC001032041431 764252143 /nfs/dbraw/zinc/25/21/43/764252143.db2.gz NLWJXDAVXXIVOP-UHFFFAOYSA-N 1 2 346.435 0.138 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NC[C@H](O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106066922 764279865 /nfs/dbraw/zinc/27/98/65/764279865.db2.gz NHSSSRSSZVABIG-STQMWFEESA-N 1 2 336.440 0.737 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(-c3ccccn3)n2)C1 ZINC001047442192 764358138 /nfs/dbraw/zinc/35/81/38/764358138.db2.gz SUJCPRGNXLYJEZ-GJZGRUSLSA-N 1 2 326.356 0.487 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(-c3ccccn3)n2)C1 ZINC001047442192 764358149 /nfs/dbraw/zinc/35/81/49/764358149.db2.gz SUJCPRGNXLYJEZ-GJZGRUSLSA-N 1 2 326.356 0.487 20 30 ECEDLO Cc1n[nH]cc1C(=O)N(C)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047479067 764462663 /nfs/dbraw/zinc/46/26/63/764462663.db2.gz JNUDFBOSFJMXQJ-ROUUACIJSA-N 1 2 338.411 0.887 20 30 ECEDLO Cc1n[nH]cc1C(=O)N(C)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047479067 764462667 /nfs/dbraw/zinc/46/26/67/764462667.db2.gz JNUDFBOSFJMXQJ-ROUUACIJSA-N 1 2 338.411 0.887 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC001047483529 764482724 /nfs/dbraw/zinc/48/27/24/764482724.db2.gz PBXOWMNDVANCRM-GJZGRUSLSA-N 1 2 325.372 0.222 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC001047483529 764482728 /nfs/dbraw/zinc/48/27/28/764482728.db2.gz PBXOWMNDVANCRM-GJZGRUSLSA-N 1 2 325.372 0.222 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001015395711 764521338 /nfs/dbraw/zinc/52/13/38/764521338.db2.gz FIVDNVJKMYRSHH-RYUDHWBXSA-N 1 2 337.798 0.895 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001015395711 764521344 /nfs/dbraw/zinc/52/13/44/764521344.db2.gz FIVDNVJKMYRSHH-RYUDHWBXSA-N 1 2 337.798 0.895 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)[C@H]2C[N@H+](Cc3cccnc3)C[C@@H]2O)c1 ZINC001047520920 764578255 /nfs/dbraw/zinc/57/82/55/764578255.db2.gz GQFXZLQCUUBTDM-ROUUACIJSA-N 1 2 336.395 0.775 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)[C@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2O)c1 ZINC001047520920 764578263 /nfs/dbraw/zinc/57/82/63/764578263.db2.gz GQFXZLQCUUBTDM-ROUUACIJSA-N 1 2 336.395 0.775 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2ccnn2C)C[C@@H]1O ZINC001047529761 764609234 /nfs/dbraw/zinc/60/92/34/764609234.db2.gz MOIJWSKCTUULAJ-UGUYLWEFSA-N 1 2 334.420 0.015 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2ccnn2C)C[C@@H]1O ZINC001047529761 764609241 /nfs/dbraw/zinc/60/92/41/764609241.db2.gz MOIJWSKCTUULAJ-UGUYLWEFSA-N 1 2 334.420 0.015 20 30 ECEDLO C=CCCOCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1)C2 ZINC001047578845 764758953 /nfs/dbraw/zinc/75/89/53/764758953.db2.gz GMXFLVDNGSHEKG-JYJNAYRXSA-N 1 2 346.431 0.972 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3c(C)nn(C)c3F)C2)nn1 ZINC001098773577 764894889 /nfs/dbraw/zinc/89/48/89/764894889.db2.gz GDPOLLCJFLPVMA-CYBMUJFWSA-N 1 2 345.382 0.269 20 30 ECEDLO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)n1 ZINC001015552444 764944546 /nfs/dbraw/zinc/94/45/46/764944546.db2.gz DUSBLHMMMGTSRL-GFCCVEGCSA-N 1 2 329.339 0.225 20 30 ECEDLO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)n1 ZINC001015552444 764944548 /nfs/dbraw/zinc/94/45/48/764944548.db2.gz DUSBLHMMMGTSRL-GFCCVEGCSA-N 1 2 329.339 0.225 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C3CC3)C2)c1 ZINC001015678943 765150009 /nfs/dbraw/zinc/15/00/09/765150009.db2.gz QYFBSHNIAMNFPV-HNNXBMFYSA-N 1 2 326.400 0.488 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)C2)c1 ZINC001015678943 765150016 /nfs/dbraw/zinc/15/00/16/765150016.db2.gz QYFBSHNIAMNFPV-HNNXBMFYSA-N 1 2 326.400 0.488 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1CNC(=O)C#CC1CC1 ZINC001052815809 765173905 /nfs/dbraw/zinc/17/39/05/765173905.db2.gz XCFSYDAMDWJVEZ-DZGCQCFKSA-N 1 2 328.416 0.966 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1CNC(=O)C#CC1CC1 ZINC001052815809 765173908 /nfs/dbraw/zinc/17/39/08/765173908.db2.gz XCFSYDAMDWJVEZ-DZGCQCFKSA-N 1 2 328.416 0.966 20 30 ECEDLO C=CCCOCC(=O)N1C[C@H](C)[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001052841015 765212192 /nfs/dbraw/zinc/21/21/92/765212192.db2.gz JXDPDMMSSFSRQF-LSDHHAIUSA-N 1 2 334.420 0.687 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cnn(C)n3)CC2)nc1 ZINC001052876260 765278333 /nfs/dbraw/zinc/27/83/33/765278333.db2.gz UQEDZASFLCYBRN-HNNXBMFYSA-N 1 2 338.415 0.976 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cnn(C)n3)CC2)nc1 ZINC001052876260 765278338 /nfs/dbraw/zinc/27/83/38/765278338.db2.gz UQEDZASFLCYBRN-HNNXBMFYSA-N 1 2 338.415 0.976 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C)ncn3)C2)nn1 ZINC001015810193 765367617 /nfs/dbraw/zinc/36/76/17/765367617.db2.gz CADKLCBHSADAPX-CYBMUJFWSA-N 1 2 327.392 0.567 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C)ncn3)C2)nn1 ZINC001015810193 765367622 /nfs/dbraw/zinc/36/76/22/765367622.db2.gz CADKLCBHSADAPX-CYBMUJFWSA-N 1 2 327.392 0.567 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001015895670 765509037 /nfs/dbraw/zinc/50/90/37/765509037.db2.gz OAXFXSPMNSBJIZ-SNVBAGLBSA-N 1 2 326.784 0.682 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001015895670 765509041 /nfs/dbraw/zinc/50/90/41/765509041.db2.gz OAXFXSPMNSBJIZ-SNVBAGLBSA-N 1 2 326.784 0.682 20 30 ECEDLO C=CCOCC(=O)NC[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001053035243 765510005 /nfs/dbraw/zinc/51/00/05/765510005.db2.gz UNBQTGNQHFJYDR-KBPBESRZSA-N 1 2 334.420 0.376 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3coc(COC)n3)C2)C1=O ZINC001015917692 765550347 /nfs/dbraw/zinc/55/03/47/765550347.db2.gz HPEZDQUDTMNHID-JSGCOSHPSA-N 1 2 348.403 0.412 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3coc(COC)n3)C2)C1=O ZINC001015917692 765550353 /nfs/dbraw/zinc/55/03/53/765550353.db2.gz HPEZDQUDTMNHID-JSGCOSHPSA-N 1 2 348.403 0.412 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001015967256 765634162 /nfs/dbraw/zinc/63/41/62/765634162.db2.gz BDLGNDDJZLVFAK-QWHCGFSZSA-N 1 2 330.388 0.339 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001015967256 765634166 /nfs/dbraw/zinc/63/41/66/765634166.db2.gz BDLGNDDJZLVFAK-QWHCGFSZSA-N 1 2 330.388 0.339 20 30 ECEDLO C=C1CC(C)(C(=O)NC[C@@H](O)CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001106096737 765640931 /nfs/dbraw/zinc/64/09/31/765640931.db2.gz ODQLKLSECKFRHW-GFCCVEGCSA-N 1 2 334.424 0.491 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)C2)cn1 ZINC001016029220 765732213 /nfs/dbraw/zinc/73/22/13/765732213.db2.gz DHJONSSFWQDMCQ-BBRMVZONSA-N 1 2 347.440 0.302 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C2)cn1 ZINC001016029220 765732216 /nfs/dbraw/zinc/73/22/16/765732216.db2.gz DHJONSSFWQDMCQ-BBRMVZONSA-N 1 2 347.440 0.302 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CCCC3)C2)cn1 ZINC001016031153 765732954 /nfs/dbraw/zinc/73/29/54/765732954.db2.gz OJODUUPWPWFVLI-QGZVFWFLSA-N 1 2 340.427 0.926 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CCCC3)C2)cn1 ZINC001016031153 765732961 /nfs/dbraw/zinc/73/29/61/765732961.db2.gz OJODUUPWPWFVLI-QGZVFWFLSA-N 1 2 340.427 0.926 20 30 ECEDLO N#Cc1cnc(NC[C@H](O)CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)cn1 ZINC001106104109 765754774 /nfs/dbraw/zinc/75/47/74/765754774.db2.gz HPOPPHOXIFWMLW-NWDGAFQWSA-N 1 2 341.375 0.080 20 30 ECEDLO C#CCNC(=O)CC(=O)N1CC[C@@H](C)[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001089179086 765825698 /nfs/dbraw/zinc/82/56/98/765825698.db2.gz FRYXOFQNRBNUFO-HIFRSBDPSA-N 1 2 343.431 0.821 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3c(C)nn(C)c3F)C2)C1=O ZINC001016131017 765826925 /nfs/dbraw/zinc/82/69/25/765826925.db2.gz NJECDXRWGSILIA-OLZOCXBDSA-N 1 2 349.410 0.459 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3c(C)nn(C)c3F)C2)C1=O ZINC001016131017 765826928 /nfs/dbraw/zinc/82/69/28/765826928.db2.gz NJECDXRWGSILIA-OLZOCXBDSA-N 1 2 349.410 0.459 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1nc(OC)cc(OC)n1)CCO2 ZINC001053310559 765948884 /nfs/dbraw/zinc/94/88/84/765948884.db2.gz GBGWGBPSJQVRQV-UHFFFAOYSA-N 1 2 348.403 0.597 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cnc3nccn3c1)CCO2 ZINC001053340857 766002047 /nfs/dbraw/zinc/00/20/47/766002047.db2.gz QNCXZBSCAJGLFA-UHFFFAOYSA-N 1 2 327.388 0.832 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001016271921 766014166 /nfs/dbraw/zinc/01/41/66/766014166.db2.gz IEBVMMBHHVRLTH-OAHLLOKOSA-N 1 2 337.383 0.990 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001016271921 766014173 /nfs/dbraw/zinc/01/41/73/766014173.db2.gz IEBVMMBHHVRLTH-OAHLLOKOSA-N 1 2 337.383 0.990 20 30 ECEDLO CC#CCN1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CCO2 ZINC001053434971 766127111 /nfs/dbraw/zinc/12/71/11/766127111.db2.gz GHTBEEYGLGHNJM-HUUCEWRRSA-N 1 2 328.416 0.460 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCN1C(=O)C1CC1)CCO2 ZINC001053462016 766172723 /nfs/dbraw/zinc/17/27/23/766172723.db2.gz ZAQGIFADXCUHDF-INIZCTEOSA-N 1 2 347.459 0.877 20 30 ECEDLO C=CCn1cc(C(=O)N2CCOC3(C[NH+](C[C@H](CC)OC)C3)C2)nn1 ZINC001053463989 766176318 /nfs/dbraw/zinc/17/63/18/766176318.db2.gz UMWOPNVZFBTSBS-AWEZNQCLSA-N 1 2 349.435 0.416 20 30 ECEDLO N#CCN1CC2(C1)CN(C(=O)c1cc(-n3cc[nH+]c3)ccn1)CCO2 ZINC001053495591 766234714 /nfs/dbraw/zinc/23/47/14/766234714.db2.gz VOAIVNONFFHLBQ-UHFFFAOYSA-N 1 2 338.371 0.318 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc(C(=O)NC)nc1)CCO2 ZINC001053510796 766262864 /nfs/dbraw/zinc/26/28/64/766262864.db2.gz BJXHCKQQWWDWES-UHFFFAOYSA-N 1 2 344.415 0.544 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCOC3(C[NH+](C[C@@H](C)OC)C3)C2)cn1 ZINC001053512482 766264851 /nfs/dbraw/zinc/26/48/51/766264851.db2.gz RNOLSLPNOQQDRV-CQSZACIVSA-N 1 2 329.400 0.625 20 30 ECEDLO Cn1cc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)nn1 ZINC001031650103 766345288 /nfs/dbraw/zinc/34/52/88/766345288.db2.gz TYSPMWWCRZQNMT-UHFFFAOYSA-N 1 2 327.363 0.668 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cnoc3C)C[C@@H]2O)cc1 ZINC001083691185 766354049 /nfs/dbraw/zinc/35/40/49/766354049.db2.gz CMIKEPAGVUMKID-SJORKVTESA-N 1 2 325.368 0.939 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cnoc3C)C[C@@H]2O)cc1 ZINC001083691185 766354059 /nfs/dbraw/zinc/35/40/59/766354059.db2.gz CMIKEPAGVUMKID-SJORKVTESA-N 1 2 325.368 0.939 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001045777215 766357604 /nfs/dbraw/zinc/35/76/04/766357604.db2.gz GDKKXUAAFPFMSZ-KRWDZBQOSA-N 1 2 348.447 0.979 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnc(N(C)C)cn1)O2 ZINC001053601041 766410074 /nfs/dbraw/zinc/41/00/74/766410074.db2.gz YKYVZMANHYABHL-ZDUSSCGKSA-N 1 2 331.420 0.692 20 30 ECEDLO C#Cc1cncc(C(=O)NCC2CC(NC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC000992382761 766443640 /nfs/dbraw/zinc/44/36/40/766443640.db2.gz QKILQTDQDVUDNW-UHFFFAOYSA-N 1 2 337.383 0.653 20 30 ECEDLO C#CCN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCc3c[nH+]cn3C1)O2 ZINC001053619815 766450378 /nfs/dbraw/zinc/45/03/78/766450378.db2.gz XDXFNOGOUZOUSC-GDBMZVCRSA-N 1 2 328.416 0.428 20 30 ECEDLO N#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCc3c[nH+]cn3C1)O2 ZINC001053619764 766450461 /nfs/dbraw/zinc/45/04/61/766450461.db2.gz WIJGTRFCWXYVTM-ZFWWWQNUSA-N 1 2 329.404 0.319 20 30 ECEDLO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCc3nn[nH]c31)O2 ZINC001053654752 766521383 /nfs/dbraw/zinc/52/13/83/766521383.db2.gz VFAYFUZUIIVZRT-ZIAGYGMSSA-N 1 2 343.431 0.598 20 30 ECEDLO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCc3n[nH]nc31)O2 ZINC001053654752 766521391 /nfs/dbraw/zinc/52/13/91/766521391.db2.gz VFAYFUZUIIVZRT-ZIAGYGMSSA-N 1 2 343.431 0.598 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCCN(C)C1=O)O2 ZINC001053685929 766584812 /nfs/dbraw/zinc/58/48/12/766584812.db2.gz BWUKYPWDJAVQAR-GJZGRUSLSA-N 1 2 335.448 0.781 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCC(=O)N(C)C1)O2 ZINC001053701045 766622231 /nfs/dbraw/zinc/62/22/31/766622231.db2.gz KTHSZNQMTBPSDH-LSDHHAIUSA-N 1 2 335.448 0.781 20 30 ECEDLO Cc1nc(C[N@H+]2CC[C@@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)co1 ZINC001046011250 766636139 /nfs/dbraw/zinc/63/61/39/766636139.db2.gz AZZOJGTWMZBUPP-CZUORRHYSA-N 1 2 331.420 0.861 20 30 ECEDLO Cc1nc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)co1 ZINC001046011250 766636143 /nfs/dbraw/zinc/63/61/43/766636143.db2.gz AZZOJGTWMZBUPP-CZUORRHYSA-N 1 2 331.420 0.861 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC(C)(C)C3)C2)C1=O ZINC001077560311 766652994 /nfs/dbraw/zinc/65/29/94/766652994.db2.gz YIIVKZVGEFHGDW-BZUAXINKSA-N 1 2 349.475 0.761 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC(C)(C)C3)C2)C1=O ZINC001077560311 766652999 /nfs/dbraw/zinc/65/29/99/766652999.db2.gz YIIVKZVGEFHGDW-BZUAXINKSA-N 1 2 349.475 0.761 20 30 ECEDLO Cn1ncc(Cl)c1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046029728 766695468 /nfs/dbraw/zinc/69/54/68/766695468.db2.gz AGTIKVXKMIODGE-LBPRGKRZSA-N 1 2 336.827 0.429 20 30 ECEDLO CCc1ccnc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)c1 ZINC001046032290 766704581 /nfs/dbraw/zinc/70/45/81/766704581.db2.gz ILSPJUDTKGFWLX-INIZCTEOSA-N 1 2 327.432 1.000 20 30 ECEDLO CCc1cccc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)n1 ZINC001046036337 766725419 /nfs/dbraw/zinc/72/54/19/766725419.db2.gz HLTDJEHOKRKWFA-MRXNPFEDSA-N 1 2 327.432 1.000 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cc4cccn4cn3)CC2)C1 ZINC001046038012 766736964 /nfs/dbraw/zinc/73/69/64/766736964.db2.gz FSTVSHZQJQRVLN-INIZCTEOSA-N 1 2 338.415 0.690 20 30 ECEDLO Cn1ncc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)c1Cl ZINC001046040408 766746743 /nfs/dbraw/zinc/74/67/43/766746743.db2.gz HODLCQAAYASANR-GFCCVEGCSA-N 1 2 336.827 0.429 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)C1 ZINC001046043261 766761111 /nfs/dbraw/zinc/76/11/11/766761111.db2.gz ZYSUITINEWJTBQ-CYBMUJFWSA-N 1 2 328.420 0.254 20 30 ECEDLO CC(C)n1cnc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)c1 ZINC001046048164 766780497 /nfs/dbraw/zinc/78/04/97/766780497.db2.gz RLBHLLORGRLICP-OAHLLOKOSA-N 1 2 330.436 0.820 20 30 ECEDLO Cc1cc(=O)[nH]cc1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046063452 766837994 /nfs/dbraw/zinc/83/79/94/766837994.db2.gz ZPLYPKKSTSFNRS-AWEZNQCLSA-N 1 2 329.404 0.451 20 30 ECEDLO CCn1ncc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)c1C ZINC001046073735 766887109 /nfs/dbraw/zinc/88/71/09/766887109.db2.gz LCSCFALWCHAOIF-OAHLLOKOSA-N 1 2 330.436 0.567 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1nnn(C(C)(C)C)n1)CO2 ZINC001053814529 766911598 /nfs/dbraw/zinc/91/15/98/766911598.db2.gz PINFKSKRFWVISR-CYBMUJFWSA-N 1 2 348.451 0.506 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046080127 766915538 /nfs/dbraw/zinc/91/55/38/766915538.db2.gz AGWLKTPNODHOLM-IBGZPJMESA-N 1 2 336.439 0.952 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3ncc4n3CCCC4)CC2)C1 ZINC001046084996 766926017 /nfs/dbraw/zinc/92/60/17/766926017.db2.gz CJYCIIMJZPNBGO-MRXNPFEDSA-N 1 2 342.447 0.575 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cncc(COC)c1)CO2 ZINC001053832805 766970799 /nfs/dbraw/zinc/97/07/99/766970799.db2.gz ONYGDORDLFVPDL-INIZCTEOSA-N 1 2 329.400 0.824 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3c(c1)nnn3C)CO2 ZINC001053847187 767007095 /nfs/dbraw/zinc/00/70/95/767007095.db2.gz ALBMZNQIKGIBHW-AWEZNQCLSA-N 1 2 339.399 0.565 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCn3ccnc3C1)CO2 ZINC001053852470 767022536 /nfs/dbraw/zinc/02/25/36/767022536.db2.gz LNVUKVXFLRBYNY-LSDHHAIUSA-N 1 2 330.432 0.981 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001046196954 767046907 /nfs/dbraw/zinc/04/69/07/767046907.db2.gz HQSNXCDTTAGYTE-MFKMUULPSA-N 1 2 330.226 0.754 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001046196954 767046914 /nfs/dbraw/zinc/04/69/14/767046914.db2.gz HQSNXCDTTAGYTE-MFKMUULPSA-N 1 2 330.226 0.754 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccn(CCOC)n1)CO2 ZINC001053867579 767078067 /nfs/dbraw/zinc/07/80/67/767078067.db2.gz NWOIFPFWWFVKLW-CQSZACIVSA-N 1 2 332.404 0.126 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc3n(n1)CCCO3)CO2 ZINC001053867999 767079384 /nfs/dbraw/zinc/07/93/84/767079384.db2.gz ZLQSKZFOMVDRIE-CYBMUJFWSA-N 1 2 332.404 0.815 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3ncccc3O)C2)C1=O ZINC001046262948 767116522 /nfs/dbraw/zinc/11/65/22/767116522.db2.gz ZEFUOYKQFHBREO-FZKQIMNGSA-N 1 2 344.415 0.768 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3ncccc3O)C2)C1=O ZINC001046262948 767116523 /nfs/dbraw/zinc/11/65/23/767116523.db2.gz ZEFUOYKQFHBREO-FZKQIMNGSA-N 1 2 344.415 0.768 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001127604744 767142136 /nfs/dbraw/zinc/14/21/36/767142136.db2.gz LZVWBVOCICSAPH-KGLIPLIRSA-N 1 2 345.403 0.210 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CS(C)(=O)=O)C1 ZINC001089781696 767167716 /nfs/dbraw/zinc/16/77/16/767167716.db2.gz OGOQWDUECJCRAR-XUXIUFHCSA-N 1 2 346.880 0.952 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CS(C)(=O)=O)C1 ZINC001089781696 767167717 /nfs/dbraw/zinc/16/77/17/767167717.db2.gz OGOQWDUECJCRAR-XUXIUFHCSA-N 1 2 346.880 0.952 20 30 ECEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1OC ZINC001212320919 767212685 /nfs/dbraw/zinc/21/26/85/767212685.db2.gz JMLPSXPOIRHTIG-BZUAXINKSA-N 1 2 335.448 0.801 20 30 ECEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1OC ZINC001212320919 767212686 /nfs/dbraw/zinc/21/26/86/767212686.db2.gz JMLPSXPOIRHTIG-BZUAXINKSA-N 1 2 335.448 0.801 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CCC(=O)NC3)C2)cc1F ZINC001031803874 767240404 /nfs/dbraw/zinc/24/04/04/767240404.db2.gz NDCDKNUTJOTAIY-HNNXBMFYSA-N 1 2 344.390 0.772 20 30 ECEDLO C=C1CCC(C(=O)N[C@]2(C)CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)CC1 ZINC001046595179 767349257 /nfs/dbraw/zinc/34/92/57/767349257.db2.gz XSZCBPFLZPSCRW-QGZVFWFLSA-N 1 2 333.436 0.935 20 30 ECEDLO C=C1CCC(C(=O)N[C@]2(C)CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)CC1 ZINC001046595179 767349266 /nfs/dbraw/zinc/34/92/66/767349266.db2.gz XSZCBPFLZPSCRW-QGZVFWFLSA-N 1 2 333.436 0.935 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C)c(C(N)=O)cn1)CO2 ZINC001053929538 767389989 /nfs/dbraw/zinc/38/99/89/767389989.db2.gz CAJYRSVBPDGOMA-CYBMUJFWSA-N 1 2 344.415 0.638 20 30 ECEDLO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C ZINC001106154731 767392024 /nfs/dbraw/zinc/39/20/24/767392024.db2.gz JOQJOWLGSYJWJX-CKYFFXLPSA-N 1 2 337.317 0.320 20 30 ECEDLO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C ZINC001106154731 767392032 /nfs/dbraw/zinc/39/20/32/767392032.db2.gz JOQJOWLGSYJWJX-CKYFFXLPSA-N 1 2 337.317 0.320 20 30 ECEDLO CC#CCN1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CO2 ZINC001053931449 767392714 /nfs/dbraw/zinc/39/27/14/767392714.db2.gz YJEYMPHOZXLPTA-RRFJBIMHSA-N 1 2 328.416 0.506 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)NC[C@@H](O)CNc2ccc(C#N)nc2)c[nH+]1 ZINC001106160093 767413174 /nfs/dbraw/zinc/41/31/74/767413174.db2.gz UOCFDINXURCRRA-HNNXBMFYSA-N 1 2 342.403 0.783 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccnc(N(C)C)c1)CO2 ZINC001053944820 767419557 /nfs/dbraw/zinc/41/95/57/767419557.db2.gz IZUBQAWAOFSKQW-HNNXBMFYSA-N 1 2 328.416 0.744 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnn3cc(C)cnc13)CO2 ZINC001053945536 767422167 /nfs/dbraw/zinc/42/21/67/767422167.db2.gz ZKVXKQATMCPNJG-CQSZACIVSA-N 1 2 339.399 0.634 20 30 ECEDLO N#Cc1cnc(N2CC=C(CCNC(=O)Cc3[nH]cc[nH+]3)CC2)cn1 ZINC001089840429 767450535 /nfs/dbraw/zinc/45/05/35/767450535.db2.gz QGPHITIMTYOCSQ-UHFFFAOYSA-N 1 2 337.387 0.957 20 30 ECEDLO N#CCSCC(=O)NCC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060463030 767452034 /nfs/dbraw/zinc/45/20/34/767452034.db2.gz PDJKOEJTWRBRDO-LBPRGKRZSA-N 1 2 335.433 0.564 20 30 ECEDLO C=CCn1cc(C(=O)N[C@]2(C)CC[N@@H+](Cc3cc(C)n(C)n3)C2)nn1 ZINC001046680770 767468822 /nfs/dbraw/zinc/46/88/22/767468822.db2.gz HVIHSUDFCPLIPV-QGZVFWFLSA-N 1 2 343.435 0.900 20 30 ECEDLO C=CCn1cc(C(=O)N[C@]2(C)CC[N@H+](Cc3cc(C)n(C)n3)C2)nn1 ZINC001046680770 767468829 /nfs/dbraw/zinc/46/88/29/767468829.db2.gz HVIHSUDFCPLIPV-QGZVFWFLSA-N 1 2 343.435 0.900 20 30 ECEDLO N#Cc1cnccc1NC[C@@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001106174648 767487565 /nfs/dbraw/zinc/48/75/65/767487565.db2.gz IWHQNWATGJGIMS-CYBMUJFWSA-N 1 2 336.355 0.454 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1COC2(C[NH+](CCOC)C2)C1 ZINC001053976934 767510628 /nfs/dbraw/zinc/51/06/28/767510628.db2.gz KHIKCKVXSCTUHN-AWEZNQCLSA-N 1 2 347.415 0.866 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@]1(C)CCN(C(C)=O)C1)CO2 ZINC001053977215 767510655 /nfs/dbraw/zinc/51/06/55/767510655.db2.gz PHCKNEUJTPDNTL-DOTOQJQBSA-N 1 2 335.448 0.781 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCCN(C)C1=O)CO2 ZINC001053981954 767524111 /nfs/dbraw/zinc/52/41/11/767524111.db2.gz ZGIHOOOLPURESV-GJZGRUSLSA-N 1 2 335.448 0.781 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2COC3(C[NH+]([C@H](C)COC)C3)C2)cn1 ZINC001053984767 767532817 /nfs/dbraw/zinc/53/28/17/767532817.db2.gz DWOODAHKUNRTHA-CZUORRHYSA-N 1 2 329.400 0.671 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1c(C)nc(C)[nH]c1=O)CO2 ZINC001054006135 767575988 /nfs/dbraw/zinc/57/59/88/767575988.db2.gz TUUMXQFBTNTYQO-AWEZNQCLSA-N 1 2 344.415 0.324 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1c(C)nn3cccnc13)CO2 ZINC001054010323 767591975 /nfs/dbraw/zinc/59/19/75/767591975.db2.gz QVMLHWDTLQZQSB-AWEZNQCLSA-N 1 2 339.399 0.634 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001054044878 767644139 /nfs/dbraw/zinc/64/41/39/767644139.db2.gz GKAKCZIZEFTYBU-NVXWUHKLSA-N 1 2 325.412 0.689 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001054044878 767644142 /nfs/dbraw/zinc/64/41/42/767644142.db2.gz GKAKCZIZEFTYBU-NVXWUHKLSA-N 1 2 325.412 0.689 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC(C2(NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC001017144874 767647884 /nfs/dbraw/zinc/64/78/84/767647884.db2.gz BWMPCJDEXWOKLD-DZGCQCFKSA-N 1 2 348.447 0.364 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC(C2(NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC001017144874 767647887 /nfs/dbraw/zinc/64/78/87/767647887.db2.gz BWMPCJDEXWOKLD-DZGCQCFKSA-N 1 2 348.447 0.364 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)CCOCCNc1nccnc1C#N ZINC001127347587 768379795 /nfs/dbraw/zinc/37/97/95/768379795.db2.gz QBDXVEXEKUNIRP-UHFFFAOYSA-N 1 2 343.391 0.509 20 30 ECEDLO C[C@@H]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001018069604 768683866 /nfs/dbraw/zinc/68/38/66/768683866.db2.gz LEMSSFAMAFOSQF-YPMHNXCESA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)Cn1cc[nH+]c1 ZINC001018087175 768704528 /nfs/dbraw/zinc/70/45/28/768704528.db2.gz IJZQWPUZCYXAQH-TZMCWYRMSA-N 1 2 340.387 0.892 20 30 ECEDLO C[C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1CNCC#N ZINC001106721352 768717507 /nfs/dbraw/zinc/71/75/07/768717507.db2.gz COLOSHOYUKSFGF-HZPDHXFCSA-N 1 2 334.464 0.839 20 30 ECEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001018121043 768757451 /nfs/dbraw/zinc/75/74/51/768757451.db2.gz COSXQMATBUMMQO-KFWWJZLASA-N 1 2 331.420 0.789 20 30 ECEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001018121043 768757455 /nfs/dbraw/zinc/75/74/55/768757455.db2.gz COSXQMATBUMMQO-KFWWJZLASA-N 1 2 331.420 0.789 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC001055313491 768769563 /nfs/dbraw/zinc/76/95/63/768769563.db2.gz SLBPFMONGQQSTG-IYOUNJFTSA-N 1 2 346.431 0.505 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCOCCOC)C2)nn1 ZINC001098790601 768771516 /nfs/dbraw/zinc/77/15/16/768771516.db2.gz WROHFBMDTQTXMY-INIZCTEOSA-N 1 2 349.435 0.218 20 30 ECEDLO N#Cc1nccc(N[C@@H]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]23)n1 ZINC001060557862 768809233 /nfs/dbraw/zinc/80/92/33/768809233.db2.gz RNRKZDAAXXUDTC-KWCYVHTRSA-N 1 2 337.387 0.385 20 30 ECEDLO N#Cc1ccc(N[C@@H]2CC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)nn1 ZINC001060558508 768821308 /nfs/dbraw/zinc/82/13/08/768821308.db2.gz ZPIMPWQNTPIRMC-NILFDRSVSA-N 1 2 337.387 0.963 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@]2(C)C1 ZINC000993347029 768835215 /nfs/dbraw/zinc/83/52/15/768835215.db2.gz BCMTWRXXARKRLC-PPHDSNJXSA-N 1 2 329.404 0.727 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC000993347040 768836114 /nfs/dbraw/zinc/83/61/14/768836114.db2.gz LKMQJDAZEPVAAK-XNJGSVPQSA-N 1 2 329.404 0.809 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000993347040 768836127 /nfs/dbraw/zinc/83/61/27/768836127.db2.gz LKMQJDAZEPVAAK-XNJGSVPQSA-N 1 2 329.404 0.809 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c2CC)[C@H](OC)C1 ZINC001212214692 769124930 /nfs/dbraw/zinc/12/49/30/769124930.db2.gz USANIXDUXSKBIJ-DAXOMENPSA-N 1 2 348.447 0.697 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cc[nH]c2CC)[C@H](OC)C1 ZINC001212214692 769124934 /nfs/dbraw/zinc/12/49/34/769124934.db2.gz USANIXDUXSKBIJ-DAXOMENPSA-N 1 2 348.447 0.697 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@H](CC)OC)C2)CC1 ZINC001018357876 769182575 /nfs/dbraw/zinc/18/25/75/769182575.db2.gz JCABOWWJBNJLHF-CVEARBPZSA-N 1 2 337.464 0.980 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@H](OC)C3CC3)C2)CC1 ZINC001018364011 769204818 /nfs/dbraw/zinc/20/48/18/769204818.db2.gz AMRYGWDQZXHSJD-DLBZAZTESA-N 1 2 349.475 0.980 20 30 ECEDLO CC#CCCCC(=O)NCC[NH+]1CCC(NC(=O)c2nc[nH]n2)CC1 ZINC001055618947 769270031 /nfs/dbraw/zinc/27/00/31/769270031.db2.gz RCTOYDAJMKGLQR-UHFFFAOYSA-N 1 2 346.435 0.309 20 30 ECEDLO C=CCN1CCN(C(=O)[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001018388349 769272306 /nfs/dbraw/zinc/27/23/06/769272306.db2.gz LLLLNNZQOPYZFJ-INIZCTEOSA-N 1 2 345.447 0.452 20 30 ECEDLO CCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000993578976 769287411 /nfs/dbraw/zinc/28/74/11/769287411.db2.gz YXVOVYOLUBPGLT-ZIAGYGMSSA-N 1 2 340.387 0.754 20 30 ECEDLO CCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1c1c[nH+]cn1C ZINC000993599804 769343519 /nfs/dbraw/zinc/34/35/19/769343519.db2.gz BHUKPVDEGDHIPJ-ZIAGYGMSSA-N 1 2 340.387 0.754 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C(F)F)C1 ZINC000993631870 769444279 /nfs/dbraw/zinc/44/42/79/769444279.db2.gz OGDVSWWZMSJNQC-OPRDCNLKSA-N 1 2 325.319 0.255 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000993688148 769518971 /nfs/dbraw/zinc/51/89/71/769518971.db2.gz NCPAYUSWRGCBIX-MFKMUULPSA-N 1 2 345.432 0.926 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000993688148 769518978 /nfs/dbraw/zinc/51/89/78/769518978.db2.gz NCPAYUSWRGCBIX-MFKMUULPSA-N 1 2 345.432 0.926 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccnn3C)[C@@H]2C)nn1 ZINC000993949560 769930417 /nfs/dbraw/zinc/93/04/17/769930417.db2.gz KLDVZSGBLKMFBV-UKRRQHHQSA-N 1 2 343.435 0.981 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccnn3C)[C@@H]2C)nn1 ZINC000993949560 769930429 /nfs/dbraw/zinc/93/04/29/769930429.db2.gz KLDVZSGBLKMFBV-UKRRQHHQSA-N 1 2 343.435 0.981 20 30 ECEDLO CC(C)(C(=O)N1CCN(c2cncc(C#N)n2)CC1)c1c[nH+]c[nH]1 ZINC001055861156 770009313 /nfs/dbraw/zinc/00/93/13/770009313.db2.gz QNSGPIIRBIPDLS-UHFFFAOYSA-N 1 2 325.376 0.698 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cc(CC)n(C)n3)C2)nn1 ZINC001098796528 770251068 /nfs/dbraw/zinc/25/10/68/770251068.db2.gz KXTYCLVTLRCOIC-OAHLLOKOSA-N 1 2 341.419 0.384 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@](CO)(NC(=O)C#CC2CC2)C1 ZINC001055938527 770290811 /nfs/dbraw/zinc/29/08/11/770290811.db2.gz HDZJIDQDSMXHIV-GOSISDBHSA-N 1 2 344.415 0.144 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cnnn3C)[C@H]2C)nc1 ZINC000994256113 770457291 /nfs/dbraw/zinc/45/72/91/770457291.db2.gz RKRWCSAPNQRUHA-XJKSGUPXSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cnnn3C)[C@H]2C)nc1 ZINC000994256113 770457295 /nfs/dbraw/zinc/45/72/95/770457295.db2.gz RKRWCSAPNQRUHA-XJKSGUPXSA-N 1 2 338.415 0.974 20 30 ECEDLO CC(C)C#CC(=O)N1CCC[C@](CO)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001055987809 770463272 /nfs/dbraw/zinc/46/32/72/770463272.db2.gz SEAPAWKQAZRACA-SFHVURJKSA-N 1 2 346.431 0.471 20 30 ECEDLO CC(C)C#CC(=O)N1CCC[C@](CO)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001055987809 770463279 /nfs/dbraw/zinc/46/32/79/770463279.db2.gz SEAPAWKQAZRACA-SFHVURJKSA-N 1 2 346.431 0.471 20 30 ECEDLO C=CCCC(=O)N1CCC[C@](CO)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001056024316 770597886 /nfs/dbraw/zinc/59/78/86/770597886.db2.gz BQPUYOFPPGIBOG-KRWDZBQOSA-N 1 2 334.420 0.709 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(c2cnc(C#N)cn2)CC1 ZINC001056046704 770665184 /nfs/dbraw/zinc/66/51/84/770665184.db2.gz WWCXCRFALUCUGF-GFCCVEGCSA-N 1 2 325.376 0.599 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2cnc(C#N)cn2)CC1 ZINC001056046704 770665191 /nfs/dbraw/zinc/66/51/91/770665191.db2.gz WWCXCRFALUCUGF-GFCCVEGCSA-N 1 2 325.376 0.599 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(c2cnc(C#N)cn2)CC1 ZINC001056046706 770665478 /nfs/dbraw/zinc/66/54/78/770665478.db2.gz WWCXCRFALUCUGF-LBPRGKRZSA-N 1 2 325.376 0.599 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2cnc(C#N)cn2)CC1 ZINC001056046706 770665484 /nfs/dbraw/zinc/66/54/84/770665484.db2.gz WWCXCRFALUCUGF-LBPRGKRZSA-N 1 2 325.376 0.599 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001019134497 770892670 /nfs/dbraw/zinc/89/26/70/770892670.db2.gz NNZMANCTRRUIHI-KGLIPLIRSA-N 1 2 341.415 0.666 20 30 ECEDLO C#CCCCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001056329021 771133892 /nfs/dbraw/zinc/13/38/92/771133892.db2.gz RDEPHHGUEUIAEC-GVDBMIGSSA-N 1 2 347.459 0.712 20 30 ECEDLO C#CCCCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001056329021 771133894 /nfs/dbraw/zinc/13/38/94/771133894.db2.gz RDEPHHGUEUIAEC-GVDBMIGSSA-N 1 2 347.459 0.712 20 30 ECEDLO N#Cc1cncc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cccc3[nH+]ccn32)n1 ZINC001056344918 771152297 /nfs/dbraw/zinc/15/22/97/771152297.db2.gz SYQOOFOQETYSLG-LAQFHYBYSA-N 1 2 345.366 0.861 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]([NH2+][C@@H](C)c3nc(CC)no3)C2)nn1 ZINC001019482493 771346050 /nfs/dbraw/zinc/34/60/50/771346050.db2.gz XCMZJRYMKJIEDH-RYUDHWBXSA-N 1 2 345.407 0.975 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056526629 771354218 /nfs/dbraw/zinc/35/42/18/771354218.db2.gz HGWFUOLJJMGGEE-HUUCEWRRSA-N 1 2 344.415 0.584 20 30 ECEDLO Cc1c(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)nnn1C ZINC001031592369 771357817 /nfs/dbraw/zinc/35/78/17/771357817.db2.gz JFZMISAVULUIJT-UHFFFAOYSA-N 1 2 330.417 0.919 20 30 ECEDLO Cc1c(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)nnn1C ZINC001031592511 771358538 /nfs/dbraw/zinc/35/85/38/771358538.db2.gz PYBHWDROVBKTQJ-UHFFFAOYSA-N 1 2 342.378 0.996 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001060732778 771363203 /nfs/dbraw/zinc/36/32/03/771363203.db2.gz UNBRTPOWLDJAEE-WKILWMFISA-N 1 2 346.431 0.714 20 30 ECEDLO C[C@@H]1CCCN(C(=O)C[NH+]2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001031603390 771391515 /nfs/dbraw/zinc/39/15/15/771391515.db2.gz NUBZFUUFSYTPET-CYBMUJFWSA-N 1 2 343.431 0.806 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000994616803 771439834 /nfs/dbraw/zinc/43/98/34/771439834.db2.gz SFMMAQXJLVTVRP-YUELXQCFSA-N 1 2 344.415 0.364 20 30 ECEDLO N#Cc1nccnc1N1CCCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001089548225 771450695 /nfs/dbraw/zinc/45/06/95/771450695.db2.gz KDZBCPBRHWKSIB-GFCCVEGCSA-N 1 2 341.375 0.026 20 30 ECEDLO N#Cc1ccc(N2CCCO[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC001089548444 771451230 /nfs/dbraw/zinc/45/12/30/771451230.db2.gz LLZYBGWPXFISFD-CQSZACIVSA-N 1 2 340.387 0.631 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H](n2cc(CNCc3c[nH+]cn3C)nn2)C1 ZINC001089579798 771563963 /nfs/dbraw/zinc/56/39/63/771563963.db2.gz IIUXNRJYHVNKTH-JSGCOSHPSA-N 1 2 342.407 0.234 20 30 ECEDLO Cn1oc(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)cc1=O ZINC001031637037 771566176 /nfs/dbraw/zinc/56/61/76/771566176.db2.gz RPTACLDKOQAQIV-UHFFFAOYSA-N 1 2 344.346 0.851 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H](n2cc(C[NH2+]Cc3cccnc3)nn2)C1 ZINC001089580577 771567134 /nfs/dbraw/zinc/56/71/34/771567134.db2.gz STZNRSRDYTVFDW-BBRMVZONSA-N 1 2 339.403 0.896 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H](n2cc(C[NH2+]Cc3ccnn3C)nn2)C1 ZINC001089581120 771568400 /nfs/dbraw/zinc/56/84/00/771568400.db2.gz YXLCNLDYBHPXJO-WFASDCNBSA-N 1 2 342.407 0.234 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)C1 ZINC001056781702 771633850 /nfs/dbraw/zinc/63/38/50/771633850.db2.gz INZPNXBXMQAHPF-MRVWCRGKSA-N 1 2 337.387 0.898 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](Nc2cncc(C#N)n2)C1 ZINC001056797693 771657062 /nfs/dbraw/zinc/65/70/62/771657062.db2.gz YGRSXIBXIIGQMF-VXGBXAGGSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](Nc2cncc(C#N)n2)C1 ZINC001056797693 771657066 /nfs/dbraw/zinc/65/70/66/771657066.db2.gz YGRSXIBXIIGQMF-VXGBXAGGSA-N 1 2 325.376 0.963 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]2OCCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001019881268 771953437 /nfs/dbraw/zinc/95/34/37/771953437.db2.gz ASZWALSVCHHIJK-CVEARBPZSA-N 1 2 342.399 0.194 20 30 ECEDLO O=C(C#CC1CC1)N1CCO[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001019894021 771981294 /nfs/dbraw/zinc/98/12/94/771981294.db2.gz QQHIGRVEJUBIGM-HOTGVXAUSA-N 1 2 342.399 0.125 20 30 ECEDLO CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001057059365 772011710 /nfs/dbraw/zinc/01/17/10/772011710.db2.gz QICFLLYIHKZOHG-AWEZNQCLSA-N 1 2 325.376 0.741 20 30 ECEDLO CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001057059365 772011714 /nfs/dbraw/zinc/01/17/14/772011714.db2.gz QICFLLYIHKZOHG-AWEZNQCLSA-N 1 2 325.376 0.741 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCN(c2ncnc3c2C[N@H+](C)CC3)CC1 ZINC001057107020 772094717 /nfs/dbraw/zinc/09/47/17/772094717.db2.gz DIQUCEQASNIJBY-ZDUSSCGKSA-N 1 2 328.420 0.663 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCN(c2ncnc3c2C[N@@H+](C)CC3)CC1 ZINC001057107020 772094721 /nfs/dbraw/zinc/09/47/21/772094721.db2.gz DIQUCEQASNIJBY-ZDUSSCGKSA-N 1 2 328.420 0.663 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)CCc1[nH]cc[nH+]1 ZINC001057459249 772644997 /nfs/dbraw/zinc/64/49/97/772644997.db2.gz FNQZLWROZKPAEO-CQSZACIVSA-N 1 2 336.436 0.882 20 30 ECEDLO CC(C)(C)C#CC(=O)N(CCO)CCNC(=O)CCCn1cc[nH+]c1 ZINC001057540242 772735959 /nfs/dbraw/zinc/73/59/59/772735959.db2.gz MGOAUSDSOKGWGW-UHFFFAOYSA-N 1 2 348.447 0.650 20 30 ECEDLO CCc1nc(C#N)cc(N2CCC(NC(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC001057894026 773146032 /nfs/dbraw/zinc/14/60/32/773146032.db2.gz VGKPYYMGPRSPJJ-UHFFFAOYSA-N 1 2 339.403 0.961 20 30 ECEDLO C=CCn1cccc1C(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1 ZINC001057902676 773162000 /nfs/dbraw/zinc/16/20/00/773162000.db2.gz UOLHFTWBQRAWNI-UHFFFAOYSA-N 1 2 345.403 0.122 20 30 ECEDLO C=CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001057941206 773231314 /nfs/dbraw/zinc/23/13/14/773231314.db2.gz LADIBRQXWJWRNU-HNNXBMFYSA-N 1 2 348.447 0.739 20 30 ECEDLO CC#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001040604481 783087449 /nfs/dbraw/zinc/08/74/49/783087449.db2.gz BFTQDDFVHPBYHU-SFHVURJKSA-N 1 2 346.431 0.236 20 30 ECEDLO CN(C(=O)Cc1c[nH+]cn1C)C1CCN(c2cnc(C#N)cn2)CC1 ZINC001058059394 773452016 /nfs/dbraw/zinc/45/20/16/773452016.db2.gz BXZIXHYPQUEIAA-UHFFFAOYSA-N 1 2 339.403 0.752 20 30 ECEDLO CN(C(=O)Cc1c[nH+]cn1C)C1CCN(c2ccnc(C#N)n2)CC1 ZINC001058059692 773452037 /nfs/dbraw/zinc/45/20/37/773452037.db2.gz ROPSSOCRRLEGRV-UHFFFAOYSA-N 1 2 339.403 0.752 20 30 ECEDLO CN(C(=O)Cc1c[nH+]cn1C)C1CCN(c2ccc(C#N)nn2)CC1 ZINC001058059510 773452071 /nfs/dbraw/zinc/45/20/71/773452071.db2.gz IYCGRGDIZXCNQU-UHFFFAOYSA-N 1 2 339.403 0.752 20 30 ECEDLO N#Cc1cncc(N2C[C@@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)n1 ZINC001040609358 783097247 /nfs/dbraw/zinc/09/72/47/783097247.db2.gz IJWWOIRSJGOXFF-GXTWGEPZSA-N 1 2 337.387 0.741 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)Cc1c[nH+]cn1C ZINC001058159560 773663612 /nfs/dbraw/zinc/66/36/12/773663612.db2.gz NVEIDZRSQPIUMO-ZIAGYGMSSA-N 1 2 336.436 0.358 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NCCN(CCO)C(=O)CCn1cc[nH+]c1 ZINC001058200352 773757424 /nfs/dbraw/zinc/75/74/24/773757424.db2.gz BPIWNAPZTAZKBX-QGZVFWFLSA-N 1 2 336.436 0.813 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)CCn1cc[nH+]c1 ZINC001058200596 773758019 /nfs/dbraw/zinc/75/80/19/773758019.db2.gz MPXUOOFWUJWTNR-GJZGRUSLSA-N 1 2 336.436 0.669 20 30 ECEDLO C=C[C@H](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001040628854 783132653 /nfs/dbraw/zinc/13/26/53/783132653.db2.gz CKNIKAWINZMWER-KDOFPFPSSA-N 1 2 348.447 0.943 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N(CCO)CCNC(=O)CCn1cc[nH+]c1 ZINC001058466910 774240315 /nfs/dbraw/zinc/24/03/15/774240315.db2.gz XDXWJUGDARMGFT-HNNXBMFYSA-N 1 2 336.436 0.813 20 30 ECEDLO N#Cc1nccc(N2CC[C@@H](NC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)n1 ZINC001058475091 774257391 /nfs/dbraw/zinc/25/73/91/774257391.db2.gz ZQTUFMCITDKUMW-CHWSQXEVSA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1cncc(N2CC[C@H](NC(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)n1 ZINC001058481027 774271451 /nfs/dbraw/zinc/27/14/51/774271451.db2.gz HIVFLIJCNJRVBB-OLZOCXBDSA-N 1 2 337.387 0.502 20 30 ECEDLO C=CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001058623436 774560562 /nfs/dbraw/zinc/56/05/62/774560562.db2.gz RZNWJKGLHASACN-OAHLLOKOSA-N 1 2 348.447 0.739 20 30 ECEDLO CC(C)C[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H](C)C#N)C1)n1cc[nH+]c1 ZINC001045552994 775784790 /nfs/dbraw/zinc/78/47/90/775784790.db2.gz ZBHXBWOQDGCHLB-UONOGXRCSA-N 1 2 347.419 0.319 20 30 ECEDLO C=CCn1cc(C(=O)NC2(C)CC[NH+](Cc3nnc(C)o3)CC2)nn1 ZINC001045580832 775829267 /nfs/dbraw/zinc/82/92/67/775829267.db2.gz SXFQECQFNGDFCX-UHFFFAOYSA-N 1 2 345.407 0.940 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001044326511 776160795 /nfs/dbraw/zinc/16/07/95/776160795.db2.gz PBTYFDFQMSMWKF-UHFFFAOYSA-N 1 2 334.420 0.552 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)nc2OC)[C@@H](n2ccnn2)C1 ZINC001070047764 790446727 /nfs/dbraw/zinc/44/67/27/790446727.db2.gz ITLCVNIQUVAVBN-CABCVRRESA-N 1 2 342.403 0.831 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)nc2OC)[C@@H](n2ccnn2)C1 ZINC001070047764 790446732 /nfs/dbraw/zinc/44/67/32/790446732.db2.gz ITLCVNIQUVAVBN-CABCVRRESA-N 1 2 342.403 0.831 20 30 ECEDLO N#Cc1cnc(N2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](O)C2)c(Cl)c1 ZINC001044604703 776507811 /nfs/dbraw/zinc/50/78/11/776507811.db2.gz MVVSWASNGVZVIL-OLZOCXBDSA-N 1 2 346.778 0.238 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)c2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001070055968 790467898 /nfs/dbraw/zinc/46/78/98/790467898.db2.gz ZQQSLZVRANKFSR-GLQYFDAESA-N 1 2 341.419 0.396 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001070055968 790467902 /nfs/dbraw/zinc/46/79/02/790467902.db2.gz ZQQSLZVRANKFSR-GLQYFDAESA-N 1 2 341.419 0.396 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc3[nH]cnc32)[C@@H](n2ccnn2)C1 ZINC001070058508 790473137 /nfs/dbraw/zinc/47/31/37/790473137.db2.gz HEQSXTBCEAXXHV-CABCVRRESA-N 1 2 335.371 0.443 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc3[nH]cnc32)[C@@H](n2ccnn2)C1 ZINC001070058508 790473142 /nfs/dbraw/zinc/47/31/42/790473142.db2.gz HEQSXTBCEAXXHV-CABCVRRESA-N 1 2 335.371 0.443 20 30 ECEDLO C=C(Cl)CN1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](n2ccnn2)C1 ZINC001070060130 790476830 /nfs/dbraw/zinc/47/68/30/790476830.db2.gz FXYRJUUALMZPGP-NEPJUHHUSA-N 1 2 335.799 0.338 20 30 ECEDLO CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001079741781 776785678 /nfs/dbraw/zinc/78/56/78/776785678.db2.gz VBEAKIZMMCZYPD-HNNXBMFYSA-N 1 2 340.427 0.918 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001079774618 776846110 /nfs/dbraw/zinc/84/61/10/776846110.db2.gz HRPMFLWOEQXTIZ-CYBMUJFWSA-N 1 2 332.404 0.060 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001079981132 777187943 /nfs/dbraw/zinc/18/79/43/777187943.db2.gz JWRAXFWEYLBDKO-ZDUSSCGKSA-N 1 2 334.420 0.911 20 30 ECEDLO CCN(C(=O)Cn1cc[nH+]c1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001080031475 777268059 /nfs/dbraw/zinc/26/80/59/777268059.db2.gz AXQZWYKRAJHFMM-UHFFFAOYSA-N 1 2 326.360 0.456 20 30 ECEDLO CCN(C(=O)Cc1c[nH+]cn1C)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001080140187 777448921 /nfs/dbraw/zinc/44/89/21/777448921.db2.gz KYQVXFDNWWJJIO-UHFFFAOYSA-N 1 2 340.387 0.535 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ncccc2OC)[C@@H](n2ccnn2)C1 ZINC001070082292 790541020 /nfs/dbraw/zinc/54/10/20/790541020.db2.gz IGMJIOKCYKIHKX-KGLIPLIRSA-N 1 2 340.387 0.360 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ncccc2OC)[C@@H](n2ccnn2)C1 ZINC001070082292 790541025 /nfs/dbraw/zinc/54/10/25/790541025.db2.gz IGMJIOKCYKIHKX-KGLIPLIRSA-N 1 2 340.387 0.360 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001080199475 777543519 /nfs/dbraw/zinc/54/35/19/777543519.db2.gz CCIWTMAJUPATTK-ZDUSSCGKSA-N 1 2 332.404 0.358 20 30 ECEDLO C=CCn1cc(C(=O)N2CC(N(CC)C(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC001080354036 777740857 /nfs/dbraw/zinc/74/08/57/777740857.db2.gz VYTDTGAILRUIPK-UHFFFAOYSA-N 1 2 343.391 0.103 20 30 ECEDLO CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001080415670 777819135 /nfs/dbraw/zinc/81/91/35/777819135.db2.gz AZJXDKDRWTUXOK-STQMWFEESA-N 1 2 329.404 0.664 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2csc(C)n2)[C@@H](n2ccnn2)C1 ZINC001070091564 790572477 /nfs/dbraw/zinc/57/24/77/790572477.db2.gz RUPMUPPJTMOCFR-KGLIPLIRSA-N 1 2 330.417 0.260 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2csc(C)n2)[C@@H](n2ccnn2)C1 ZINC001070091564 790572485 /nfs/dbraw/zinc/57/24/85/790572485.db2.gz RUPMUPPJTMOCFR-KGLIPLIRSA-N 1 2 330.417 0.260 20 30 ECEDLO C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001043206695 777959242 /nfs/dbraw/zinc/95/92/42/777959242.db2.gz AGWGTMXZZFAXBK-CYBMUJFWSA-N 1 2 348.447 0.880 20 30 ECEDLO C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001043206695 777959250 /nfs/dbraw/zinc/95/92/50/777959250.db2.gz AGWGTMXZZFAXBK-CYBMUJFWSA-N 1 2 348.447 0.880 20 30 ECEDLO C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001043209480 777967120 /nfs/dbraw/zinc/96/71/20/777967120.db2.gz YRMSDYJUZDFOHV-CHWSQXEVSA-N 1 2 346.431 0.805 20 30 ECEDLO C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001043209480 777967130 /nfs/dbraw/zinc/96/71/30/777967130.db2.gz YRMSDYJUZDFOHV-CHWSQXEVSA-N 1 2 346.431 0.805 20 30 ECEDLO C[C@H](C#N)C(=O)NCC1(NC(=O)CCc2[nH]cc[nH+]2)CCOCC1 ZINC001070094327 790582041 /nfs/dbraw/zinc/58/20/41/790582041.db2.gz JXJNPOMGPJFHAC-GFCCVEGCSA-N 1 2 333.392 0.284 20 30 ECEDLO C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001043225935 778000960 /nfs/dbraw/zinc/00/09/60/778000960.db2.gz JMWRULYVGRLAEC-CYBMUJFWSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001043225935 778000971 /nfs/dbraw/zinc/00/09/71/778000971.db2.gz JMWRULYVGRLAEC-CYBMUJFWSA-N 1 2 334.420 0.634 20 30 ECEDLO O=C(C#CC1CC1)NC[C@@H]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)O1 ZINC001068570811 790598446 /nfs/dbraw/zinc/59/84/46/790598446.db2.gz CSJWKSOUDFIRDZ-HNNXBMFYSA-N 1 2 342.399 0.242 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)n2c(C)ccc2C)[C@@H](n2ccnn2)C1 ZINC001070102835 790614456 /nfs/dbraw/zinc/61/44/56/790614456.db2.gz YXZYYXWFSLEAQU-BBWFWOEESA-N 1 2 340.431 0.932 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)n2c(C)ccc2C)[C@@H](n2ccnn2)C1 ZINC001070102835 790614462 /nfs/dbraw/zinc/61/44/62/790614462.db2.gz YXZYYXWFSLEAQU-BBWFWOEESA-N 1 2 340.431 0.932 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(C#N)n2)C1 ZINC001043556032 778509830 /nfs/dbraw/zinc/50/98/30/778509830.db2.gz KXWHSLVQXVPPOY-YRGRVCCFSA-N 1 2 339.403 0.631 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(C#N)n2)C1 ZINC001043556032 778509832 /nfs/dbraw/zinc/50/98/32/778509832.db2.gz KXWHSLVQXVPPOY-YRGRVCCFSA-N 1 2 339.403 0.631 20 30 ECEDLO C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001043611116 778589150 /nfs/dbraw/zinc/58/91/50/778589150.db2.gz NDWUBKXSQZNCJM-CQSZACIVSA-N 1 2 346.431 0.491 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H](C)CCCC)C1 ZINC001043646330 778659328 /nfs/dbraw/zinc/65/93/28/778659328.db2.gz CFAIAWDTZNYLFD-HOTGVXAUSA-N 1 2 349.475 0.600 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H](C)CCCC)C1 ZINC001043646330 778659329 /nfs/dbraw/zinc/65/93/29/778659329.db2.gz CFAIAWDTZNYLFD-HOTGVXAUSA-N 1 2 349.475 0.600 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccccc2)C1 ZINC001043650221 778667625 /nfs/dbraw/zinc/66/76/25/778667625.db2.gz RQHJQUOELQTMFV-INIZCTEOSA-N 1 2 341.411 0.087 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccccc2)C1 ZINC001043650221 778667628 /nfs/dbraw/zinc/66/76/28/778667628.db2.gz RQHJQUOELQTMFV-INIZCTEOSA-N 1 2 341.411 0.087 20 30 ECEDLO Cc1nc(N2C[C@H]3OCCN(C(=O)[C@@H](C)C#N)[C@H]3C2)c(C)c(C)[nH+]1 ZINC001043678466 778707662 /nfs/dbraw/zinc/70/76/62/778707662.db2.gz PZMRZVNTDGHDMN-NZVBXONLSA-N 1 2 329.404 0.978 20 30 ECEDLO CC(C)(C)C#CC(=O)NC1(CNC(=O)Cn2cc[nH+]c2)CCOCC1 ZINC001070112999 790647352 /nfs/dbraw/zinc/64/73/52/790647352.db2.gz BQKJWQKGZMLMJU-UHFFFAOYSA-N 1 2 346.431 0.714 20 30 ECEDLO C#CCCCCCC(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001043715932 778764761 /nfs/dbraw/zinc/76/47/61/778764761.db2.gz ZLDXCVXSJALFRU-UHFFFAOYSA-N 1 2 332.404 0.156 20 30 ECEDLO C=CCCC(=O)N1CC2(C1)CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)O2 ZINC001068613588 790711691 /nfs/dbraw/zinc/71/16/91/790711691.db2.gz ZIPNHZRLWDIXFT-ZDUSSCGKSA-N 1 2 332.404 0.795 20 30 ECEDLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C23CCC3)n1 ZINC001078595842 780189325 /nfs/dbraw/zinc/18/93/25/780189325.db2.gz CPPJXQFVTBTJHZ-QWHCGFSZSA-N 1 2 340.391 0.241 20 30 ECEDLO C=CCOCC(=O)N1CC2(C1)CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)O2 ZINC001068641304 790778721 /nfs/dbraw/zinc/77/87/21/790778721.db2.gz XSLOFUURXCXEMX-AWEZNQCLSA-N 1 2 348.403 0.031 20 30 ECEDLO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cnc(C)[nH]2)C[C@@H]1n1ccnn1 ZINC001070159725 790787598 /nfs/dbraw/zinc/78/75/98/790787598.db2.gz PBGDFAXDBLYWJI-OLZOCXBDSA-N 1 2 335.799 0.717 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001042826522 780897208 /nfs/dbraw/zinc/89/72/08/780897208.db2.gz KBADASAKAMVGAV-INIZCTEOSA-N 1 2 334.420 0.634 20 30 ECEDLO C#CC[NH2+][C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1c1ccccc1F ZINC001079317505 780992081 /nfs/dbraw/zinc/99/20/81/780992081.db2.gz JSRUGNLDJNZNHN-DZGCQCFKSA-N 1 2 327.363 0.704 20 30 ECEDLO CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001042970065 781117596 /nfs/dbraw/zinc/11/75/96/781117596.db2.gz IDEQHKGPPBJBOO-CHWSQXEVSA-N 1 2 344.415 0.252 20 30 ECEDLO CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001042970065 781117600 /nfs/dbraw/zinc/11/76/00/781117600.db2.gz IDEQHKGPPBJBOO-CHWSQXEVSA-N 1 2 344.415 0.252 20 30 ECEDLO C=CCOCC(=O)N(CC)C1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001079492715 781179605 /nfs/dbraw/zinc/17/96/05/781179605.db2.gz JDNVGDQFVOJUTB-CQSZACIVSA-N 1 2 346.431 0.707 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001079547113 781254797 /nfs/dbraw/zinc/25/47/97/781254797.db2.gz KGLVREYWSMQMOB-ZBFHGGJFSA-N 1 2 337.464 0.979 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001079547113 781254804 /nfs/dbraw/zinc/25/48/04/781254804.db2.gz KGLVREYWSMQMOB-ZBFHGGJFSA-N 1 2 337.464 0.979 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001079547461 781255352 /nfs/dbraw/zinc/25/53/52/781255352.db2.gz WNMSXOZRMNJKGE-ZBFHGGJFSA-N 1 2 337.464 0.979 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001079547461 781255356 /nfs/dbraw/zinc/25/53/56/781255356.db2.gz WNMSXOZRMNJKGE-ZBFHGGJFSA-N 1 2 337.464 0.979 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001079588559 781290314 /nfs/dbraw/zinc/29/03/14/781290314.db2.gz IXQFUOAVXIBDGY-IAQYHMDHSA-N 1 2 340.387 0.935 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001079588559 781290320 /nfs/dbraw/zinc/29/03/20/781290320.db2.gz IXQFUOAVXIBDGY-IAQYHMDHSA-N 1 2 340.387 0.935 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CCC(=C)CC3)C2)C1=O ZINC001077624971 781374007 /nfs/dbraw/zinc/37/40/07/781374007.db2.gz KYCXVQUNSXZNGM-BRWVUGGUSA-N 1 2 347.459 0.681 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3CCC(=C)CC3)C2)C1=O ZINC001077624971 781374017 /nfs/dbraw/zinc/37/40/17/781374017.db2.gz KYCXVQUNSXZNGM-BRWVUGGUSA-N 1 2 347.459 0.681 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(CC)C3=O)C[C@H]2O)CC1 ZINC001077624930 781374220 /nfs/dbraw/zinc/37/42/20/781374220.db2.gz IZJJYOMDYYLBBI-OWCLPIDISA-N 1 2 335.448 0.515 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(CC)C3=O)C[C@H]2O)CC1 ZINC001077624930 781374229 /nfs/dbraw/zinc/37/42/29/781374229.db2.gz IZJJYOMDYYLBBI-OWCLPIDISA-N 1 2 335.448 0.515 20 30 ECEDLO 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/nfs/dbraw/zinc/59/25/28/784592528.db2.gz BYDZYPIYFFLCNX-RRFJBIMHSA-N 1 2 331.420 0.644 20 30 ECEDLO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)c(C)cc1=O)C[C@@H](C)O2 ZINC001071178491 784672790 /nfs/dbraw/zinc/67/27/90/784672790.db2.gz QFKWZCHYCGWJKA-DNVCBOLYSA-N 1 2 343.427 0.632 20 30 ECEDLO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)c(C)cc1=O)C[C@@H](C)O2 ZINC001071178491 784672793 /nfs/dbraw/zinc/67/27/93/784672793.db2.gz QFKWZCHYCGWJKA-DNVCBOLYSA-N 1 2 343.427 0.632 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cnn[nH]1)C[C@@H](C)O2 ZINC001071212416 784749342 /nfs/dbraw/zinc/74/93/42/784749342.db2.gz XHHXNTHOYCHIPJ-RHSMWYFYSA-N 1 2 331.420 0.452 20 30 ECEDLO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cnn[nH]1)C[C@@H](C)O2 ZINC001071212416 784749346 /nfs/dbraw/zinc/74/93/46/784749346.db2.gz XHHXNTHOYCHIPJ-RHSMWYFYSA-N 1 2 331.420 0.452 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C(F)F)C1 ZINC001070900707 784807686 /nfs/dbraw/zinc/80/76/86/784807686.db2.gz 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C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3cc[nH]c3)C2)C(=O)C1 ZINC001071264468 784885046 /nfs/dbraw/zinc/88/50/46/784885046.db2.gz XHUZBKHQKLQVRB-MRXNPFEDSA-N 1 2 328.416 0.787 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3cc[nH]c3)C2)C(=O)C1 ZINC001071264468 784885050 /nfs/dbraw/zinc/88/50/50/784885050.db2.gz XHUZBKHQKLQVRB-MRXNPFEDSA-N 1 2 328.416 0.787 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@]34C[C@H]3COC4)C2)C(=O)C1 ZINC001071265399 784888177 /nfs/dbraw/zinc/88/81/77/784888177.db2.gz HCPFDROJBKEDCP-BXWFABGCSA-N 1 2 345.443 0.181 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@]34C[C@H]3COC4)C2)C(=O)C1 ZINC001071265399 784888191 /nfs/dbraw/zinc/88/81/91/784888191.db2.gz HCPFDROJBKEDCP-BXWFABGCSA-N 1 2 345.443 0.181 20 30 ECEDLO C[C@H]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C[N@@H+]1Cc1cnnn1C ZINC001071414177 785062184 /nfs/dbraw/zinc/06/21/84/785062184.db2.gz QDNOYEVSUGYUMZ-WCQYABFASA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@H]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C[N@H+]1Cc1cnnn1C ZINC001071414177 785062189 /nfs/dbraw/zinc/06/21/89/785062189.db2.gz QDNOYEVSUGYUMZ-WCQYABFASA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001071919211 785334356 /nfs/dbraw/zinc/33/43/56/785334356.db2.gz YJTMPEBSNZETAB-BXUZGUMPSA-N 1 2 340.387 0.819 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)CC[C@@H]1C ZINC001071605980 785386537 /nfs/dbraw/zinc/38/65/37/785386537.db2.gz FCNHKPZLKYKYIQ-JSGCOSHPSA-N 1 2 326.462 0.966 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)CC[C@@H]1C ZINC001071605980 785386546 /nfs/dbraw/zinc/38/65/46/785386546.db2.gz FCNHKPZLKYKYIQ-JSGCOSHPSA-N 1 2 326.462 0.966 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cn2ncn(C)c2=O)CC[C@@H]1C ZINC001071625589 785411067 /nfs/dbraw/zinc/41/10/67/785411067.db2.gz PYSUTDMCSSILEL-NWDGAFQWSA-N 1 2 327.816 0.303 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cn2ncn(C)c2=O)CC[C@@H]1C ZINC001071625589 785411072 /nfs/dbraw/zinc/41/10/72/785411072.db2.gz PYSUTDMCSSILEL-NWDGAFQWSA-N 1 2 327.816 0.303 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001072005961 785514869 /nfs/dbraw/zinc/51/48/69/785514869.db2.gz QNBNFLYHZOBTDI-OLZOCXBDSA-N 1 2 330.388 0.162 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001072005961 785514876 /nfs/dbraw/zinc/51/48/76/785514876.db2.gz QNBNFLYHZOBTDI-OLZOCXBDSA-N 1 2 330.388 0.162 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC001072093522 785657537 /nfs/dbraw/zinc/65/75/37/785657537.db2.gz HNAZQVJXIMKBIP-ZFWWWQNUSA-N 1 2 332.404 0.345 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC001072093522 785657540 /nfs/dbraw/zinc/65/75/40/785657540.db2.gz HNAZQVJXIMKBIP-ZFWWWQNUSA-N 1 2 332.404 0.345 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001072096479 785660938 /nfs/dbraw/zinc/66/09/38/785660938.db2.gz AAQUXKXXKULKHN-KBPBESRZSA-N 1 2 332.404 0.345 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001072452647 786205872 /nfs/dbraw/zinc/20/58/72/786205872.db2.gz DQNSWECHKAFCTC-HUUCEWRRSA-N 1 2 332.404 0.276 20 30 ECEDLO C=CCCOCC(=O)N[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001072484666 786260164 /nfs/dbraw/zinc/26/01/64/786260164.db2.gz QYBFKBZYHNIFLX-DOMZBBRYSA-N 1 2 334.420 0.816 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3nc(CC)c[nH]3)C[C@@H]21 ZINC001074269208 786552875 /nfs/dbraw/zinc/55/28/75/786552875.db2.gz SXPFJOZDZIVNPY-JKSUJKDBSA-N 1 2 330.432 0.840 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3nc(CC)c[nH]3)C[C@@H]21 ZINC001074269208 786552884 /nfs/dbraw/zinc/55/28/84/786552884.db2.gz SXPFJOZDZIVNPY-JKSUJKDBSA-N 1 2 330.432 0.840 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3nc(CC)c[nH]3)C[C@H]21 ZINC001074269204 786553199 /nfs/dbraw/zinc/55/31/99/786553199.db2.gz SXPFJOZDZIVNPY-CVEARBPZSA-N 1 2 330.432 0.840 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3nc(CC)c[nH]3)C[C@H]21 ZINC001074269204 786553203 /nfs/dbraw/zinc/55/32/03/786553203.db2.gz SXPFJOZDZIVNPY-CVEARBPZSA-N 1 2 330.432 0.840 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc(C(N)=O)c3)C[C@@H]21 ZINC001074278959 786575194 /nfs/dbraw/zinc/57/51/94/786575194.db2.gz CSLNFKOXVXLLOH-IRXDYDNUSA-N 1 2 341.411 0.724 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc(C(N)=O)c3)C[C@@H]21 ZINC001074278959 786575200 /nfs/dbraw/zinc/57/52/00/786575200.db2.gz CSLNFKOXVXLLOH-IRXDYDNUSA-N 1 2 341.411 0.724 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnn(CCF)c3)C[C@@H]21 ZINC001074282792 786585203 /nfs/dbraw/zinc/58/52/03/786585203.db2.gz STEAYDRSIMFPOM-JKSUJKDBSA-N 1 2 334.395 0.791 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnn(CCF)c3)C[C@@H]21 ZINC001074282792 786585208 /nfs/dbraw/zinc/58/52/08/786585208.db2.gz STEAYDRSIMFPOM-JKSUJKDBSA-N 1 2 334.395 0.791 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C[C@@H]21 ZINC001074283360 786586678 /nfs/dbraw/zinc/58/66/78/786586678.db2.gz CFPILVXKXAJXJQ-JKSUJKDBSA-N 1 2 329.400 0.324 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C[C@@H]21 ZINC001074283360 786586684 /nfs/dbraw/zinc/58/66/84/786586684.db2.gz CFPILVXKXAJXJQ-JKSUJKDBSA-N 1 2 329.400 0.324 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn4cccnc4n3)C[C@@H]21 ZINC001074285208 786593635 /nfs/dbraw/zinc/59/36/35/786593635.db2.gz WVRGLSLGBOVKQE-HOTGVXAUSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn4cccnc4n3)C[C@@H]21 ZINC001074285208 786593638 /nfs/dbraw/zinc/59/36/38/786593638.db2.gz WVRGLSLGBOVKQE-HOTGVXAUSA-N 1 2 339.399 0.668 20 30 ECEDLO C=CCCCC(=O)N1CCN(C2CN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001073596910 786732467 /nfs/dbraw/zinc/73/24/67/786732467.db2.gz LKUXLNHUDGSPHV-UHFFFAOYSA-N 1 2 345.447 0.594 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnc4cccnn43)C[C@H]21 ZINC001074354181 786739980 /nfs/dbraw/zinc/73/99/80/786739980.db2.gz MJMXUKMGZFCFBG-HZPDHXFCSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnc4cccnn43)C[C@H]21 ZINC001074354181 786739987 /nfs/dbraw/zinc/73/99/87/786739987.db2.gz MJMXUKMGZFCFBG-HZPDHXFCSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(CCC)nn3)C[C@@H]21 ZINC001074372071 786783599 /nfs/dbraw/zinc/78/35/99/786783599.db2.gz QWOVPAZSSGWRAE-HOTGVXAUSA-N 1 2 331.420 0.627 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(CCC)nn3)C[C@@H]21 ZINC001074372071 786783604 /nfs/dbraw/zinc/78/36/04/786783604.db2.gz QWOVPAZSSGWRAE-HOTGVXAUSA-N 1 2 331.420 0.627 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnc(OC)nc3)C[C@@H]21 ZINC001074376787 786796294 /nfs/dbraw/zinc/79/62/94/786796294.db2.gz AGTGMSSKWSASPP-LSDHHAIUSA-N 1 2 330.388 0.424 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnc(OC)nc3)C[C@@H]21 ZINC001074376787 786796297 /nfs/dbraw/zinc/79/62/97/786796297.db2.gz AGTGMSSKWSASPP-LSDHHAIUSA-N 1 2 330.388 0.424 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001073636656 786834578 /nfs/dbraw/zinc/83/45/78/786834578.db2.gz CSQAYKIECAKNKG-LBPRGKRZSA-N 1 2 340.811 0.849 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001073636656 786834587 /nfs/dbraw/zinc/83/45/87/786834587.db2.gz CSQAYKIECAKNKG-LBPRGKRZSA-N 1 2 340.811 0.849 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C[C@@H]21 ZINC001074401114 786860214 /nfs/dbraw/zinc/86/02/14/786860214.db2.gz YPPATIBNPRHSEN-GJZGRUSLSA-N 1 2 332.404 0.272 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C[C@@H]21 ZINC001074401114 786860223 /nfs/dbraw/zinc/86/02/23/786860223.db2.gz YPPATIBNPRHSEN-GJZGRUSLSA-N 1 2 332.404 0.272 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3c(C)csc3=O)C[C@@H]21 ZINC001074404986 786875951 /nfs/dbraw/zinc/87/59/51/786875951.db2.gz KSVYGWULJGXKNC-GJZGRUSLSA-N 1 2 349.456 0.543 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3c(C)csc3=O)C[C@@H]21 ZINC001074404986 786875958 /nfs/dbraw/zinc/87/59/58/786875958.db2.gz KSVYGWULJGXKNC-GJZGRUSLSA-N 1 2 349.456 0.543 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)ccn3)C[C@@H]21 ZINC001074416924 786917068 /nfs/dbraw/zinc/91/70/68/786917068.db2.gz FNSLCTVKPTZVCU-HOTGVXAUSA-N 1 2 342.399 0.119 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)ccn3)C[C@@H]21 ZINC001074416924 786917082 /nfs/dbraw/zinc/91/70/82/786917082.db2.gz FNSLCTVKPTZVCU-HOTGVXAUSA-N 1 2 342.399 0.119 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3cn(C)nn3)C[C@H]21 ZINC001074419447 786927838 /nfs/dbraw/zinc/92/78/38/786927838.db2.gz LUTGHMYIUWZUGF-HZPDHXFCSA-N 1 2 331.420 0.073 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3cn(C)nn3)C[C@H]21 ZINC001074419447 786927844 /nfs/dbraw/zinc/92/78/44/786927844.db2.gz LUTGHMYIUWZUGF-HZPDHXFCSA-N 1 2 331.420 0.073 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001073772617 787173636 /nfs/dbraw/zinc/17/36/36/787173636.db2.gz SZFLKFGYEHFDLK-RDBSUJKOSA-N 1 2 343.855 0.848 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001073772617 787173640 /nfs/dbraw/zinc/17/36/40/787173640.db2.gz SZFLKFGYEHFDLK-RDBSUJKOSA-N 1 2 343.855 0.848 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001073837805 787318472 /nfs/dbraw/zinc/31/84/72/787318472.db2.gz UYIVFSUVGHBYLS-GFCCVEGCSA-N 1 2 340.811 0.687 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001073837805 787318482 /nfs/dbraw/zinc/31/84/82/787318482.db2.gz UYIVFSUVGHBYLS-GFCCVEGCSA-N 1 2 340.811 0.687 20 30 ECEDLO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2[nH]nc3c2C[C@@H](C)CC3)C1 ZINC001073837829 787319532 /nfs/dbraw/zinc/31/95/32/787319532.db2.gz VJECXALFCDTOLD-KBPBESRZSA-N 1 2 330.432 0.988 20 30 ECEDLO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2[nH]nc3c2C[C@@H](C)CC3)C1 ZINC001073837829 787319542 /nfs/dbraw/zinc/31/95/42/787319542.db2.gz VJECXALFCDTOLD-KBPBESRZSA-N 1 2 330.432 0.988 20 30 ECEDLO N#CCN1CCCO[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001073843603 787333716 /nfs/dbraw/zinc/33/37/16/787333716.db2.gz CGYMHTIEJMTJRH-HNNXBMFYSA-N 1 2 340.387 0.612 20 30 ECEDLO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001073899341 787474916 /nfs/dbraw/zinc/47/49/16/787474916.db2.gz QWDJNOUBSFWOEE-OAHLLOKOSA-N 1 2 339.399 0.926 20 30 ECEDLO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001073899341 787474919 /nfs/dbraw/zinc/47/49/19/787474919.db2.gz QWDJNOUBSFWOEE-OAHLLOKOSA-N 1 2 339.399 0.926 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001074692779 787616917 /nfs/dbraw/zinc/61/69/17/787616917.db2.gz QCJZHHQUZVJFRD-ZIAGYGMSSA-N 1 2 348.447 0.880 20 30 ECEDLO C=CCCOCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001074031309 787726597 /nfs/dbraw/zinc/72/65/97/787726597.db2.gz YULIJJMUAWDZMX-ZBFHGGJFSA-N 1 2 348.447 0.909 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001074150595 787948026 /nfs/dbraw/zinc/94/80/26/787948026.db2.gz ZLJMOCJQECRQPQ-UONOGXRCSA-N 1 2 332.404 0.345 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)CSCC#N)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001074844373 788421702 /nfs/dbraw/zinc/42/17/02/788421702.db2.gz ZHVMIEXKVUMAHY-RYUDHWBXSA-N 1 2 335.433 0.705 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001074990269 788676972 /nfs/dbraw/zinc/67/69/72/788676972.db2.gz DATYSARGRBTWJR-CABCVRRESA-N 1 2 346.431 0.498 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001075078954 788863000 /nfs/dbraw/zinc/86/30/00/788863000.db2.gz FUWGCGRBDGELEN-HUUCEWRRSA-N 1 2 346.431 0.498 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001075081796 788869947 /nfs/dbraw/zinc/86/99/47/788869947.db2.gz NKZQXOFHADHTBR-KBPBESRZSA-N 1 2 334.420 0.661 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CCC(C)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001072987233 789229424 /nfs/dbraw/zinc/22/94/24/789229424.db2.gz SEAUAOOXWAIOFO-QGZVFWFLSA-N 1 2 334.420 0.777 20 30 ECEDLO C[N@@H+]1CCO[C@@H](C(=O)NC2(C)CCN(C(=O)C#CC(C)(C)C)CC2)C1 ZINC001073015791 789276449 /nfs/dbraw/zinc/27/64/49/789276449.db2.gz UJMJUFUFJILJMX-OAHLLOKOSA-N 1 2 349.475 0.864 20 30 ECEDLO C[N@H+]1CCO[C@@H](C(=O)NC2(C)CCN(C(=O)C#CC(C)(C)C)CC2)C1 ZINC001073015791 789276457 /nfs/dbraw/zinc/27/64/57/789276457.db2.gz UJMJUFUFJILJMX-OAHLLOKOSA-N 1 2 349.475 0.864 20 30 ECEDLO C#CCOCCC(=O)N1CCC(C)(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001073027798 789301102 /nfs/dbraw/zinc/30/11/02/789301102.db2.gz SNBJUVMFQXWEJP-UHFFFAOYSA-N 1 2 346.431 0.798 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COCCO3)[C@@H]2C1 ZINC001075574800 789522570 /nfs/dbraw/zinc/52/25/70/789522570.db2.gz ADSPXOXBAAFTAH-XQQFMLRXSA-N 1 2 345.237 0.843 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COCCO3)[C@@H]2C1 ZINC001075574800 789522579 /nfs/dbraw/zinc/52/25/79/789522579.db2.gz ADSPXOXBAAFTAH-XQQFMLRXSA-N 1 2 345.237 0.843 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001073277148 789693088 /nfs/dbraw/zinc/69/30/88/789693088.db2.gz NGVYDAWBYTZZOU-ZDUSSCGKSA-N 1 2 332.404 0.488 20 30 ECEDLO C[C@H]1C[C@@H](Nc2ccnc(C#N)n2)CN1C(=O)CCc1[nH+]ccn1C ZINC001069243772 789696890 /nfs/dbraw/zinc/69/68/90/789696890.db2.gz XYSCSBWDOAIXKT-QWHCGFSZSA-N 1 2 339.403 0.538 20 30 ECEDLO N#Cc1cnc(N2CC[C@]3(NC(=O)Cn4cc[nH+]c4)CCC[C@@H]23)cn1 ZINC001069268683 789720167 /nfs/dbraw/zinc/72/01/67/789720167.db2.gz JNHFHXKCYWCTIW-RHSMWYFYSA-N 1 2 337.387 0.863 20 30 ECEDLO N#Cc1cncc(N2CC[C@@]3(NC(=O)Cn4cc[nH+]c4)CCC[C@@H]23)n1 ZINC001069268714 789720236 /nfs/dbraw/zinc/72/02/36/789720236.db2.gz JVBBXOPPRZQIRW-PBHICJAKSA-N 1 2 337.387 0.863 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001073377188 789772476 /nfs/dbraw/zinc/77/24/76/789772476.db2.gz KRYOCIPSRHETTH-RDTXWAMCSA-N 1 2 348.447 0.954 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCCN1c1ccnc(C#N)n1 ZINC001069376555 789784306 /nfs/dbraw/zinc/78/43/06/789784306.db2.gz ZKRMFEFZLCWIEV-CHWSQXEVSA-N 1 2 325.376 0.718 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC001073473348 789876884 /nfs/dbraw/zinc/87/68/84/789876884.db2.gz YTBMEJPVOQZUJM-KBPBESRZSA-N 1 2 346.431 0.734 20 30 ECEDLO C[C@H](C#N)C(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC001073484688 789889102 /nfs/dbraw/zinc/88/91/02/789889102.db2.gz KCKUMXKLZVBOLW-TZMCWYRMSA-N 1 2 331.420 0.866 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1C[C@H](Nc2ccnc(C#N)n2)C(C)(C)C1 ZINC001069578381 789914954 /nfs/dbraw/zinc/91/49/54/789914954.db2.gz UYDILBJETUSXFW-ZDUSSCGKSA-N 1 2 339.403 0.395 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CC[C@@H]3C(N)=O)c2C1 ZINC001069869379 790129027 /nfs/dbraw/zinc/12/90/27/790129027.db2.gz KAQIBEONWMWETI-KBPBESRZSA-N 1 2 331.420 0.403 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CC[C@@H]3C(N)=O)c2C1 ZINC001069869379 790129029 /nfs/dbraw/zinc/12/90/29/790129029.db2.gz KAQIBEONWMWETI-KBPBESRZSA-N 1 2 331.420 0.403 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cncnc2C)[C@@H](n2ccnn2)C1 ZINC001069897801 790165753 /nfs/dbraw/zinc/16/57/53/790165753.db2.gz IIWBVQWYYRSEIZ-CABCVRRESA-N 1 2 325.376 0.055 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cncnc2C)[C@@H](n2ccnn2)C1 ZINC001069897801 790165757 /nfs/dbraw/zinc/16/57/57/790165757.db2.gz IIWBVQWYYRSEIZ-CABCVRRESA-N 1 2 325.376 0.055 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cnc(C)nc2OC)[C@@H](n2ccnn2)C1 ZINC001069943253 790219991 /nfs/dbraw/zinc/21/99/91/790219991.db2.gz JKKZYLKWFGISPP-KGLIPLIRSA-N 1 2 343.391 0.226 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnc(C)nc2OC)[C@@H](n2ccnn2)C1 ZINC001069943253 790219994 /nfs/dbraw/zinc/21/99/94/790219994.db2.gz JKKZYLKWFGISPP-KGLIPLIRSA-N 1 2 343.391 0.226 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccn3c2CCCC3)[C@@H](n2ccnn2)C1 ZINC001069948288 790227877 /nfs/dbraw/zinc/22/78/77/790227877.db2.gz UJGWHOPJUNSJEL-WBVHZDCISA-N 1 2 338.415 0.704 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccn3c2CCCC3)[C@@H](n2ccnn2)C1 ZINC001069948288 790227882 /nfs/dbraw/zinc/22/78/82/790227882.db2.gz UJGWHOPJUNSJEL-WBVHZDCISA-N 1 2 338.415 0.704 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2cnn3ccccc23)[C@@H](n2ccnn2)C1 ZINC001069948059 790228014 /nfs/dbraw/zinc/22/80/14/790228014.db2.gz CUKFLJZCZHNRTJ-WBVHZDCISA-N 1 2 349.398 0.143 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2cnn3ccccc23)[C@@H](n2ccnn2)C1 ZINC001069948059 790228019 /nfs/dbraw/zinc/22/80/19/790228019.db2.gz CUKFLJZCZHNRTJ-WBVHZDCISA-N 1 2 349.398 0.143 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)C[C@@H](NC(=O)C#CC(C)C)CO2 ZINC001068859241 791280437 /nfs/dbraw/zinc/28/04/37/791280437.db2.gz OZDPOBSPRJMOQV-CQSZACIVSA-N 1 2 344.415 0.406 20 30 ECEDLO C#CCCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)Cn1cc[nH+]c1)CO2 ZINC001068913451 791406887 /nfs/dbraw/zinc/40/68/87/791406887.db2.gz RSGQHLKVNBFLMA-OAHLLOKOSA-N 1 2 344.415 0.563 20 30 ECEDLO C=C(C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)Cc1c[nH+]cn1C)CO2 ZINC001068936122 791456791 /nfs/dbraw/zinc/45/67/91/791456791.db2.gz WVLQREOLAHNZQF-AWEZNQCLSA-N 1 2 346.431 0.805 20 30 ECEDLO O=C(C#CC1CC1)N1CC2(C1)C[C@@H](NC(=O)CCn1cc[nH+]c1)CO2 ZINC001068937471 791461564 /nfs/dbraw/zinc/46/15/64/791461564.db2.gz PDZBHWNIDGPOOY-OAHLLOKOSA-N 1 2 342.399 0.173 20 30 ECEDLO C=CCCC(=O)N1CC2(C1)C[C@@H](NC(=O)CCc1[nH+]ccn1C)CO2 ZINC001068952169 791492491 /nfs/dbraw/zinc/49/24/91/791492491.db2.gz SRNNTLASAWKGKP-CQSZACIVSA-N 1 2 346.431 0.805 20 30 ECEDLO Cc1nc(NC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CCO2)ccc1C#N ZINC001066681253 791977276 /nfs/dbraw/zinc/97/72/76/791977276.db2.gz VXOLYXHUSFYWSR-HNNXBMFYSA-N 1 2 340.387 0.867 20 30 ECEDLO Cc1cc(C#N)nc(NC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CCO2)n1 ZINC001066681042 791977555 /nfs/dbraw/zinc/97/75/55/791977555.db2.gz RJFBPPKDKIHPII-CQSZACIVSA-N 1 2 341.375 0.262 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[NH+]([C@H]3CCN(C(=O)C4CC4)C3)CC2)n1 ZINC001066693880 792007535 /nfs/dbraw/zinc/00/75/35/792007535.db2.gz HBIOQMWVRRDIQC-INIZCTEOSA-N 1 2 340.431 0.790 20 30 ECEDLO CC1(C(=O)N2CC[C@H]([NH+]3CCN(c4ccnc(C#N)n4)CC3)C2)CC1 ZINC001066709144 792035325 /nfs/dbraw/zinc/03/53/25/792035325.db2.gz PUFGRJXTWMQBBO-AWEZNQCLSA-N 1 2 340.431 0.871 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1)c1cnc(C#N)cn1 ZINC001067748695 792219848 /nfs/dbraw/zinc/21/98/48/792219848.db2.gz COGWSRZUJJNTTF-GJZGRUSLSA-N 1 2 344.419 0.106 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1)c1cnc(C#N)cn1 ZINC001067748695 792219856 /nfs/dbraw/zinc/21/98/56/792219856.db2.gz COGWSRZUJJNTTF-GJZGRUSLSA-N 1 2 344.419 0.106 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1)c1ccnc(C#N)n1 ZINC001067802287 792307147 /nfs/dbraw/zinc/30/71/47/792307147.db2.gz FMMYMHKQZWMBSP-CYBMUJFWSA-N 1 2 325.376 0.741 20 30 ECEDLO C[C@@H]1CCN(c2nccnc2C#N)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067967102 792520896 /nfs/dbraw/zinc/52/08/96/792520896.db2.gz JSMQYAWYGYLNJP-YPMHNXCESA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@@H]1CCN(c2ccnc(C#N)n2)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067994673 792554240 /nfs/dbraw/zinc/55/42/40/792554240.db2.gz YAAVTJFQRPGWOD-DGCLKSJQSA-N 1 2 325.376 0.645 20 30 ECEDLO Cc1cc(C#N)nc(N2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)C2)n1 ZINC001068140483 792736839 /nfs/dbraw/zinc/73/68/39/792736839.db2.gz YIRZPBXXSFPMJV-CQSZACIVSA-N 1 2 339.403 0.954 20 30 ECEDLO C[C@@H]1C[C@H](CNc2nccnc2C#N)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001068347809 793095040 /nfs/dbraw/zinc/09/50/40/793095040.db2.gz NUUQJRQJDABFDK-VXGBXAGGSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@H]1CN(c2ccc(C#N)nn2)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067405570 793108796 /nfs/dbraw/zinc/10/87/96/793108796.db2.gz JWMLLXUCPLCRKA-WFASDCNBSA-N 1 2 339.403 0.655 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001067431343 793148038 /nfs/dbraw/zinc/14/80/38/793148038.db2.gz PUEUHUMJNKXRJL-RBSFLKMASA-N 1 2 346.431 0.858 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001067431343 793148043 /nfs/dbraw/zinc/14/80/43/793148043.db2.gz PUEUHUMJNKXRJL-RBSFLKMASA-N 1 2 346.431 0.858 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067439722 793162221 /nfs/dbraw/zinc/16/22/21/793162221.db2.gz FTTRHXMXDIMPKM-DGCLKSJQSA-N 1 2 325.376 0.645 20 30 ECEDLO C#CCCCCC(=O)N1CCOC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001068384385 793167035 /nfs/dbraw/zinc/16/70/35/793167035.db2.gz VUFDEFDCEPRCSE-UHFFFAOYSA-N 1 2 344.415 0.586 20 30 ECEDLO C=CCCC(=O)N1CC2(C1)CN(C(=O)CCc1[nH]cc[nH+]1)CCO2 ZINC001068389195 793182454 /nfs/dbraw/zinc/18/24/54/793182454.db2.gz ZJVOQWYKOUTVKQ-UHFFFAOYSA-N 1 2 332.404 0.748 20 30 ECEDLO CC#CCCCC(=O)N1CC2(C1)CN(C(=O)Cn1cc[nH+]c1)CCO2 ZINC001068409581 793252345 /nfs/dbraw/zinc/25/23/45/793252345.db2.gz MELQGARALLYDMH-UHFFFAOYSA-N 1 2 344.415 0.517 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)CCO2 ZINC001068441925 793320338 /nfs/dbraw/zinc/32/03/38/793320338.db2.gz JMUMWUJVLXXHOS-AWEZNQCLSA-N 1 2 346.431 0.994 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cncc(F)c2)C1 ZINC001267454123 837437249 /nfs/dbraw/zinc/43/72/49/837437249.db2.gz LLYLJNRLMUZWCZ-MRXNPFEDSA-N 1 2 346.406 0.897 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cncc(F)c2)C1 ZINC001267454123 837437253 /nfs/dbraw/zinc/43/72/53/837437253.db2.gz LLYLJNRLMUZWCZ-MRXNPFEDSA-N 1 2 346.406 0.897 20 30 ECEDLO CN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(=O)c1cc(C#N)c[nH]1 ZINC001408609937 837463664 /nfs/dbraw/zinc/46/36/64/837463664.db2.gz XGBGDRVINWWZGV-VXGBXAGGSA-N 1 2 326.360 0.601 20 30 ECEDLO CN(CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(=O)c1cc(C#N)c[nH]1 ZINC001408609937 837463671 /nfs/dbraw/zinc/46/36/71/837463671.db2.gz XGBGDRVINWWZGV-VXGBXAGGSA-N 1 2 326.360 0.601 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001267465875 837471081 /nfs/dbraw/zinc/47/10/81/837471081.db2.gz KEZTZZYXYYFNKG-RYRKJORJSA-N 1 2 349.475 0.864 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001267465875 837471087 /nfs/dbraw/zinc/47/10/87/837471087.db2.gz KEZTZZYXYYFNKG-RYRKJORJSA-N 1 2 349.475 0.864 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2[nH]cnc2CC)C1 ZINC001267548695 837746729 /nfs/dbraw/zinc/74/67/29/837746729.db2.gz KZAFNRQTIDTLHX-CQSZACIVSA-N 1 2 345.447 0.648 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2[nH]cnc2CC)C1 ZINC001267548695 837746731 /nfs/dbraw/zinc/74/67/31/837746731.db2.gz KZAFNRQTIDTLHX-CQSZACIVSA-N 1 2 345.447 0.648 20 30 ECEDLO CC(C)C#CC(=O)N(C)CCN1CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC001267572591 837809620 /nfs/dbraw/zinc/80/96/20/837809620.db2.gz QBZZVAACYROITN-MRXNPFEDSA-N 1 2 336.480 0.199 20 30 ECEDLO C=CCCC(=O)N(C)CC[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC001267573840 837817956 /nfs/dbraw/zinc/81/79/56/837817956.db2.gz MJEQERMGYOLZPO-UHFFFAOYSA-N 1 2 336.480 0.651 20 30 ECEDLO C=CCCC(=O)N(C)CCN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001267573840 837817966 /nfs/dbraw/zinc/81/79/66/837817966.db2.gz MJEQERMGYOLZPO-UHFFFAOYSA-N 1 2 336.480 0.651 20 30 ECEDLO C#CCN1CC[NH+](CCN(C)C(=O)c2nccn3cc(C)nc23)CC1 ZINC001267575341 837826047 /nfs/dbraw/zinc/82/60/47/837826047.db2.gz BNDBDSILIAUMAK-UHFFFAOYSA-N 1 2 340.431 0.361 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NC(C)C)C2)nc1 ZINC001266245646 835550525 /nfs/dbraw/zinc/55/05/25/835550525.db2.gz DOLRJXBYYDZPIT-OAHLLOKOSA-N 1 2 328.416 0.782 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC(C)C)C2)nc1 ZINC001266245646 835550531 /nfs/dbraw/zinc/55/05/31/835550531.db2.gz DOLRJXBYYDZPIT-OAHLLOKOSA-N 1 2 328.416 0.782 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2nn(CC)nc2C)C1 ZINC001266254872 835561072 /nfs/dbraw/zinc/56/10/72/835561072.db2.gz YBMRQLHFQLHKGN-UONOGXRCSA-N 1 2 348.451 0.491 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2nn(CC)nc2C)C1 ZINC001266254872 835561073 /nfs/dbraw/zinc/56/10/73/835561073.db2.gz YBMRQLHFQLHKGN-UONOGXRCSA-N 1 2 348.451 0.491 20 30 ECEDLO CCO[C@H](C)C(=O)NCC[N@H+](C)CC(=O)NCC#Cc1ccccc1 ZINC001266258196 835567226 /nfs/dbraw/zinc/56/72/26/835567226.db2.gz HGPKLOVOCMDRJE-MRXNPFEDSA-N 1 2 345.443 0.627 20 30 ECEDLO CCO[C@H](C)C(=O)NCC[N@@H+](C)CC(=O)NCC#Cc1ccccc1 ZINC001266258196 835567228 /nfs/dbraw/zinc/56/72/28/835567228.db2.gz HGPKLOVOCMDRJE-MRXNPFEDSA-N 1 2 345.443 0.627 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)CCNC(=O)c1cccc(=O)[nH]1 ZINC001266266132 835580498 /nfs/dbraw/zinc/58/04/98/835580498.db2.gz VJTDOJJEWFRLSM-UHFFFAOYSA-N 1 2 334.420 0.873 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)CCNC(=O)c1cccc(=O)[nH]1 ZINC001266266132 835580505 /nfs/dbraw/zinc/58/05/05/835580505.db2.gz VJTDOJJEWFRLSM-UHFFFAOYSA-N 1 2 334.420 0.873 20 30 ECEDLO COCC#CCN1CC[NH+](CCNC(=O)CCc2ccccn2)CC1 ZINC001266290044 835633500 /nfs/dbraw/zinc/63/35/00/835633500.db2.gz LGWZOLLNRHSBKW-UHFFFAOYSA-N 1 2 344.459 0.398 20 30 ECEDLO N#CCN1CC[NH+](CCNC(=O)[C@H]2CCCc3cccnc32)CC1 ZINC001266290370 835634281 /nfs/dbraw/zinc/63/42/81/835634281.db2.gz XKJBQDDNLZQKFU-INIZCTEOSA-N 1 2 327.432 0.759 20 30 ECEDLO COCC#CCN1CC[NH+](CCNC(=O)[C@H]2CCOC[C@H]2C)CC1 ZINC001266292748 835637017 /nfs/dbraw/zinc/63/70/17/835637017.db2.gz SVFIPQXEHBHRFZ-SJORKVTESA-N 1 2 337.464 0.043 20 30 ECEDLO COCC#CC[NH+]1CCN(CCNC(=O)[C@H]2CCOC[C@H]2C)CC1 ZINC001266292748 835637018 /nfs/dbraw/zinc/63/70/18/835637018.db2.gz SVFIPQXEHBHRFZ-SJORKVTESA-N 1 2 337.464 0.043 20 30 ECEDLO C=C1CCC(C(=O)NCCN2CC[NH+]([C@@H]3CCNC3=O)CC2)CC1 ZINC001266292406 835637029 /nfs/dbraw/zinc/63/70/29/835637029.db2.gz HOXJUYKFKYKSIL-MRXNPFEDSA-N 1 2 334.464 0.355 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN(CCNC(=O)[C@@H]3C[C@H]3CC)CC2)C1=O ZINC001266292670 835637035 /nfs/dbraw/zinc/63/70/35/835637035.db2.gz PXTOQZCCIWHCEQ-BRWVUGGUSA-N 1 2 348.491 0.553 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC001266321285 835694200 /nfs/dbraw/zinc/69/42/00/835694200.db2.gz NWTPDPBZFRVCJN-OAHLLOKOSA-N 1 2 342.443 0.933 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC001266321285 835694201 /nfs/dbraw/zinc/69/42/01/835694201.db2.gz NWTPDPBZFRVCJN-OAHLLOKOSA-N 1 2 342.443 0.933 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C(C)(C)C)nn2)C1 ZINC001266322104 835695413 /nfs/dbraw/zinc/69/54/13/835695413.db2.gz AWYKGCKXFCLEEA-GFCCVEGCSA-N 1 2 334.424 0.139 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C(C)(C)C)nn2)C1 ZINC001266322104 835695418 /nfs/dbraw/zinc/69/54/18/835695418.db2.gz AWYKGCKXFCLEEA-GFCCVEGCSA-N 1 2 334.424 0.139 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001266327852 835707690 /nfs/dbraw/zinc/70/76/90/835707690.db2.gz NEOJIDHKTOATMI-OCCSQVGLSA-N 1 2 340.383 0.770 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001266327852 835707696 /nfs/dbraw/zinc/70/76/96/835707696.db2.gz NEOJIDHKTOATMI-OCCSQVGLSA-N 1 2 340.383 0.770 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)OCCO3)C1 ZINC001266359438 835768502 /nfs/dbraw/zinc/76/85/02/835768502.db2.gz VJUBREZSNNICRA-CQSZACIVSA-N 1 2 343.383 0.011 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)OCCO3)C1 ZINC001266359438 835768507 /nfs/dbraw/zinc/76/85/07/835768507.db2.gz VJUBREZSNNICRA-CQSZACIVSA-N 1 2 343.383 0.011 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccco1 ZINC001266460795 835863849 /nfs/dbraw/zinc/86/38/49/835863849.db2.gz DFWRFUSCQONVQO-CABCVRRESA-N 1 2 347.415 0.515 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCc1ccco1 ZINC001266460795 835863857 /nfs/dbraw/zinc/86/38/57/835863857.db2.gz DFWRFUSCQONVQO-CABCVRRESA-N 1 2 347.415 0.515 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C(C)(C)C)nn1 ZINC001266468704 835871653 /nfs/dbraw/zinc/87/16/53/835871653.db2.gz WNLRHPZNOOXNMS-CYBMUJFWSA-N 1 2 348.451 0.530 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(C(C)(C)C)nn1 ZINC001266468704 835871661 /nfs/dbraw/zinc/87/16/61/835871661.db2.gz WNLRHPZNOOXNMS-CYBMUJFWSA-N 1 2 348.451 0.530 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CCCC(N)=O)C1=O ZINC001266501870 835902538 /nfs/dbraw/zinc/90/25/38/835902538.db2.gz NAPVEKBPTHVMKR-ZNMIVQPWSA-N 1 2 348.447 0.104 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CCCC(N)=O)C1=O ZINC001266501870 835902546 /nfs/dbraw/zinc/90/25/46/835902546.db2.gz NAPVEKBPTHVMKR-ZNMIVQPWSA-N 1 2 348.447 0.104 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CC[N@@H+](Cc2ncnn2CCC)C1 ZINC001266512084 835920433 /nfs/dbraw/zinc/92/04/33/835920433.db2.gz XLEBTGKLQGTMCD-WMLDXEAASA-N 1 2 335.452 0.953 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CC[N@H+](Cc2ncnn2CCC)C1 ZINC001266512084 835920439 /nfs/dbraw/zinc/92/04/39/835920439.db2.gz XLEBTGKLQGTMCD-WMLDXEAASA-N 1 2 335.452 0.953 20 30 ECEDLO CCOCCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)C#CC1CC1 ZINC001266841761 836367511 /nfs/dbraw/zinc/36/75/11/836367511.db2.gz BXJNMNVOFWAYAX-MRXNPFEDSA-N 1 2 335.448 0.523 20 30 ECEDLO CCOCCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)C#CC1CC1 ZINC001266841761 836367519 /nfs/dbraw/zinc/36/75/19/836367519.db2.gz BXJNMNVOFWAYAX-MRXNPFEDSA-N 1 2 335.448 0.523 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H](C)[NH2+][C@H](C)c2nc(CC)no2)nn1 ZINC001266977724 836549573 /nfs/dbraw/zinc/54/95/73/836549573.db2.gz UQTZLPJFOUGWGR-GHMZBOCLSA-N 1 2 333.396 0.879 20 30 ECEDLO C[C@H](CC(=O)N1CCC[C@@H](C(=O)NCCNCC#N)C1)n1cc[nH+]c1 ZINC001267002360 836597463 /nfs/dbraw/zinc/59/74/63/836597463.db2.gz JWXZJCZMXADIDN-HUUCEWRRSA-N 1 2 346.435 0.302 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cc(-c2ccn(C)n2)on1 ZINC001267197150 836964646 /nfs/dbraw/zinc/96/46/46/836964646.db2.gz HLQVIGGKYXRQKG-UHFFFAOYSA-N 1 2 346.391 0.039 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cc(-c2ccn(C)n2)on1 ZINC001267197150 836964657 /nfs/dbraw/zinc/96/46/57/836964657.db2.gz HLQVIGGKYXRQKG-UHFFFAOYSA-N 1 2 346.391 0.039 20 30 ECEDLO CC(C)Cn1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NCC#N)n1 ZINC001267270444 837109153 /nfs/dbraw/zinc/10/91/53/837109153.db2.gz URUUJHYGINOZLP-AWEZNQCLSA-N 1 2 346.435 0.373 20 30 ECEDLO CC(C)Cn1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NCC#N)n1 ZINC001267270444 837109158 /nfs/dbraw/zinc/10/91/58/837109158.db2.gz URUUJHYGINOZLP-AWEZNQCLSA-N 1 2 346.435 0.373 20 30 ECEDLO CC(C)Cn1nccc1C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001267607634 837951164 /nfs/dbraw/zinc/95/11/64/837951164.db2.gz OSUHICJNQBZTCC-UHFFFAOYSA-N 1 2 332.452 0.752 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)c2cc(CC)n[nH]2)C1 ZINC001267623011 838063915 /nfs/dbraw/zinc/06/39/15/838063915.db2.gz YCWLUNMTUTXUMV-OCCSQVGLSA-N 1 2 331.420 0.304 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2cc(CC)n[nH]2)C1 ZINC001267623011 838063921 /nfs/dbraw/zinc/06/39/21/838063921.db2.gz YCWLUNMTUTXUMV-OCCSQVGLSA-N 1 2 331.420 0.304 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@H](C)C(=O)NCC=C)C2)nc1 ZINC001267633823 838102506 /nfs/dbraw/zinc/10/25/06/838102506.db2.gz QFJBJZCOKDWFON-ZBFHGGJFSA-N 1 2 340.427 0.948 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@H](C)C(=O)NCC=C)C2)nc1 ZINC001267633823 838102514 /nfs/dbraw/zinc/10/25/14/838102514.db2.gz QFJBJZCOKDWFON-ZBFHGGJFSA-N 1 2 340.427 0.948 20 30 ECEDLO C=CCNC(=O)[C@H](C)N1CC(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267648760 838141176 /nfs/dbraw/zinc/14/11/76/838141176.db2.gz CVNBCCYZBGOQFY-GOEBONIOSA-N 1 2 347.463 0.961 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[NH+](CCCNC(=O)C(F)(F)F)C1 ZINC001267660019 838180860 /nfs/dbraw/zinc/18/08/60/838180860.db2.gz JHPFUXQOJYXVCS-NEPJUHHUSA-N 1 2 349.353 0.447 20 30 ECEDLO C#CCCCCC(=O)NCC1C[NH+]([C@H](C)C(=O)NC(=O)NCC)C1 ZINC001267678881 838235010 /nfs/dbraw/zinc/23/50/10/838235010.db2.gz HZDJZLMJWFTTSN-CYBMUJFWSA-N 1 2 336.436 0.462 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCC1C[NH+](CC(=O)NC2CCOCC2)C1 ZINC001267686607 838249557 /nfs/dbraw/zinc/24/95/57/838249557.db2.gz QIBZOFCALZXKMR-UHFFFAOYSA-N 1 2 337.464 0.932 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2cc(C(F)(F)F)no2)C1 ZINC001267685668 838251541 /nfs/dbraw/zinc/25/15/41/838251541.db2.gz JMQKLGYOUTZGAH-UHFFFAOYSA-N 1 2 346.309 0.657 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC(CNC(=O)CCCC#CC)C1 ZINC001267689158 838254988 /nfs/dbraw/zinc/25/49/88/838254988.db2.gz DTWOSTNDHNDHRE-AWEZNQCLSA-N 1 2 348.447 0.628 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2cccc(COC)c2)C1 ZINC001267688440 838256496 /nfs/dbraw/zinc/25/64/96/838256496.db2.gz KQDFMJSUBAQMPJ-AWEZNQCLSA-N 1 2 343.427 0.633 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2ccn(C)c2CC)C1 ZINC001267692291 838266521 /nfs/dbraw/zinc/26/65/21/838266521.db2.gz ASTLGYWZOXDQQR-ZDUSSCGKSA-N 1 2 330.432 0.387 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](CC(=O)NCC(C)(C)C)C1 ZINC001267693766 838274898 /nfs/dbraw/zinc/27/48/98/838274898.db2.gz PPZAQBYAQXIIAL-CABCVRRESA-N 1 2 337.464 0.788 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)Cc2cccc(F)c2F)C1 ZINC001267693573 838278136 /nfs/dbraw/zinc/27/81/36/838278136.db2.gz KEMDUPYXCCPUQS-GFCCVEGCSA-N 1 2 349.381 0.693 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2C[NH+](CC(=O)N[C@H](C)CC)C2)cn1 ZINC001267697361 838290810 /nfs/dbraw/zinc/29/08/10/838290810.db2.gz IJVFKHBGTZPTAG-CYBMUJFWSA-N 1 2 328.416 0.639 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2ncc(C)cc2OC)C1 ZINC001267726164 838399333 /nfs/dbraw/zinc/39/93/33/838399333.db2.gz UHJFVGKXKVLAKD-KGLIPLIRSA-N 1 2 344.415 0.341 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2ncc(C)cc2OC)C1 ZINC001267726164 838399341 /nfs/dbraw/zinc/39/93/41/838399341.db2.gz UHJFVGKXKVLAKD-KGLIPLIRSA-N 1 2 344.415 0.341 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cccnc2OC)C1 ZINC001267730693 838417229 /nfs/dbraw/zinc/41/72/29/838417229.db2.gz VXJUANLPUSHUJO-STQMWFEESA-N 1 2 330.388 0.032 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cccnc2OC)C1 ZINC001267730693 838417232 /nfs/dbraw/zinc/41/72/32/838417232.db2.gz VXJUANLPUSHUJO-STQMWFEESA-N 1 2 330.388 0.032 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccnn2C2CCC2)C1 ZINC001267741666 838442721 /nfs/dbraw/zinc/44/27/21/838442721.db2.gz IACXFRVFQDSNEZ-CYBMUJFWSA-N 1 2 331.420 0.714 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccnn2C2CCC2)C1 ZINC001267741666 838442725 /nfs/dbraw/zinc/44/27/25/838442725.db2.gz IACXFRVFQDSNEZ-CYBMUJFWSA-N 1 2 331.420 0.714 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c(Cl)n[nH]c2C2CC2)C1 ZINC001267743410 838444746 /nfs/dbraw/zinc/44/47/46/838444746.db2.gz SXIZLVWXPPPHQG-LLVKDONJSA-N 1 2 349.822 0.494 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c(Cl)n[nH]c2C2CC2)C1 ZINC001267743410 838444750 /nfs/dbraw/zinc/44/47/50/838444750.db2.gz SXIZLVWXPPPHQG-LLVKDONJSA-N 1 2 349.822 0.494 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cc(OCC)no2)C1 ZINC001267745028 838448999 /nfs/dbraw/zinc/44/89/99/838448999.db2.gz RJFSYSOOUXJRBQ-VXGBXAGGSA-N 1 2 336.392 0.568 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cc(OCC)no2)C1 ZINC001267745028 838449006 /nfs/dbraw/zinc/44/90/06/838449006.db2.gz RJFSYSOOUXJRBQ-VXGBXAGGSA-N 1 2 336.392 0.568 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](F)CC)C1 ZINC001267770284 838517935 /nfs/dbraw/zinc/51/79/35/838517935.db2.gz IKCBDGJZQBVRJZ-VXGBXAGGSA-N 1 2 328.388 0.279 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](F)CC)C1 ZINC001267770284 838517940 /nfs/dbraw/zinc/51/79/40/838517940.db2.gz IKCBDGJZQBVRJZ-VXGBXAGGSA-N 1 2 328.388 0.279 20 30 ECEDLO CCOc1ncccc1C(=O)N(C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267776119 838539679 /nfs/dbraw/zinc/53/96/79/838539679.db2.gz FGFHNOOHVCAPKW-ZDUSSCGKSA-N 1 2 345.403 0.266 20 30 ECEDLO CCOc1ncccc1C(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267776119 838539684 /nfs/dbraw/zinc/53/96/84/838539684.db2.gz FGFHNOOHVCAPKW-ZDUSSCGKSA-N 1 2 345.403 0.266 20 30 ECEDLO C=CCC1(C(=O)N(C)[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)CCOCC1 ZINC001267777087 838541661 /nfs/dbraw/zinc/54/16/61/838541661.db2.gz PKZRTEIFUZIPEW-OAHLLOKOSA-N 1 2 348.447 0.532 20 30 ECEDLO C=CCC1(C(=O)N(C)[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)CCOCC1 ZINC001267777087 838541668 /nfs/dbraw/zinc/54/16/68/838541668.db2.gz PKZRTEIFUZIPEW-OAHLLOKOSA-N 1 2 348.447 0.532 20 30 ECEDLO CCN(C(=O)C#CC1CC1)[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC001267784981 838560827 /nfs/dbraw/zinc/56/08/27/838560827.db2.gz SRMMPCXWITUZRW-IAGOWNOFSA-N 1 2 347.459 0.618 20 30 ECEDLO CCN(C(=O)C#CC1CC1)[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC001267784981 838560835 /nfs/dbraw/zinc/56/08/35/838560835.db2.gz SRMMPCXWITUZRW-IAGOWNOFSA-N 1 2 347.459 0.618 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001267793394 838574709 /nfs/dbraw/zinc/57/47/09/838574709.db2.gz HSHAHGLECMOSCP-NEPJUHHUSA-N 1 2 327.812 0.715 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001267793394 838574715 /nfs/dbraw/zinc/57/47/15/838574715.db2.gz HSHAHGLECMOSCP-NEPJUHHUSA-N 1 2 327.812 0.715 20 30 ECEDLO C#CCNC(=O)C[NH2+]C[C@@](C)(NC(=O)C(F)C(F)(F)F)C1CC1 ZINC001267852500 838650440 /nfs/dbraw/zinc/65/04/40/838650440.db2.gz DTJUGRQCAXIQFC-DGCLKSJQSA-N 1 2 337.317 0.511 20 30 ECEDLO C#CCNC(=O)C[NH2+]C[C@@](C)(NC(=O)[C@@H](F)C(F)(F)F)C1CC1 ZINC001267852500 838650448 /nfs/dbraw/zinc/65/04/48/838650448.db2.gz DTJUGRQCAXIQFC-DGCLKSJQSA-N 1 2 337.317 0.511 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2ccnn2CC)C1 ZINC001267924458 838800387 /nfs/dbraw/zinc/80/03/87/838800387.db2.gz IGWPQRZYTPCMJR-ZIAGYGMSSA-N 1 2 331.420 0.235 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2ccnn2CC)C1 ZINC001267924458 838800398 /nfs/dbraw/zinc/80/03/98/838800398.db2.gz IGWPQRZYTPCMJR-ZIAGYGMSSA-N 1 2 331.420 0.235 20 30 ECEDLO C=CCOCC(=O)NC[C@H]1C[N@H+](C[C@@H](O)c2ccccc2)CCO1 ZINC001268018235 838985789 /nfs/dbraw/zinc/98/57/89/838985789.db2.gz IXDBJAZQGLXPTA-DLBZAZTESA-N 1 2 334.416 0.740 20 30 ECEDLO C=CCOCC(=O)NC[C@H]1C[N@@H+](C[C@@H](O)c2ccccc2)CCO1 ZINC001268018235 838985799 /nfs/dbraw/zinc/98/57/99/838985799.db2.gz IXDBJAZQGLXPTA-DLBZAZTESA-N 1 2 334.416 0.740 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](C[C@@H](O)COC)CCO2)cc1 ZINC001268023102 839003716 /nfs/dbraw/zinc/00/37/16/839003716.db2.gz DJPCYXUVDSPLTK-IAGOWNOFSA-N 1 2 332.400 0.106 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C[C@@H](O)COC)CCO2)cc1 ZINC001268023102 839003728 /nfs/dbraw/zinc/00/37/28/839003728.db2.gz DJPCYXUVDSPLTK-IAGOWNOFSA-N 1 2 332.400 0.106 20 30 ECEDLO CCC1(CC)C(=O)N(C)C(=O)N(C[C@@H](O)C[N@H+](C)CCC#N)C1=O ZINC000414129885 282348545 /nfs/dbraw/zinc/34/85/45/282348545.db2.gz WARRRHLLGJSMRE-LBPRGKRZSA-N 1 2 338.408 0.420 20 30 ECEDLO CCC1(CC)C(=O)N(C)C(=O)N(C[C@@H](O)C[N@@H+](C)CCC#N)C1=O ZINC000414129885 282348547 /nfs/dbraw/zinc/34/85/47/282348547.db2.gz WARRRHLLGJSMRE-LBPRGKRZSA-N 1 2 338.408 0.420 20 30 ECEDLO N#Cc1cnc(N2CC[NH+](CC(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000450224043 283232669 /nfs/dbraw/zinc/23/26/69/283232669.db2.gz RLLAZPXIKPUYJU-UHFFFAOYSA-N 1 2 344.375 0.606 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccccc2OCC)CC1 ZINC000264090014 246056370 /nfs/dbraw/zinc/05/63/70/246056370.db2.gz AMNJLLQQTZWXRE-UHFFFAOYSA-N 1 2 343.427 0.983 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccccc2OCC)CC1 ZINC000264090014 246056375 /nfs/dbraw/zinc/05/63/75/246056375.db2.gz AMNJLLQQTZWXRE-UHFFFAOYSA-N 1 2 343.427 0.983 20 30 ECEDLO COC(=O)CNC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000264266099 246263810 /nfs/dbraw/zinc/26/38/10/246263810.db2.gz KMODCNKBAJIFJW-UHFFFAOYSA-N 1 2 331.372 0.691 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C(C)C)n[nH]2)CC1 ZINC000264882434 247003468 /nfs/dbraw/zinc/00/34/68/247003468.db2.gz IIIUCZZTZMQHTG-UHFFFAOYSA-N 1 2 331.420 0.430 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C(C)C)n[nH]2)CC1 ZINC000264882434 247003471 /nfs/dbraw/zinc/00/34/71/247003471.db2.gz IIIUCZZTZMQHTG-UHFFFAOYSA-N 1 2 331.420 0.430 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C3CC3)on2)CC1 ZINC000264925981 247052028 /nfs/dbraw/zinc/05/20/28/247052028.db2.gz RCJBXDXLAANGBQ-UHFFFAOYSA-N 1 2 330.388 0.449 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C3CC3)on2)CC1 ZINC000264925981 247052030 /nfs/dbraw/zinc/05/20/30/247052030.db2.gz RCJBXDXLAANGBQ-UHFFFAOYSA-N 1 2 330.388 0.449 20 30 ECEDLO N#CCCCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000273102009 254537398 /nfs/dbraw/zinc/53/73/98/254537398.db2.gz LDBMFQQZQGFSIO-UHFFFAOYSA-N 1 2 329.404 0.930 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C)CC1 ZINC000337922680 254670534 /nfs/dbraw/zinc/67/05/34/254670534.db2.gz FYIMXJRNBAMRRF-UHFFFAOYSA-N 1 2 329.408 0.234 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000330644802 254641202 /nfs/dbraw/zinc/64/12/02/254641202.db2.gz FSGVAOKIDPPMPE-MAUKXSAKSA-N 1 2 346.479 0.981 20 30 ECEDLO CCc1cnc(N2CC[NH+]([C@@H](C)C(=O)NC(=O)NC)CC2)s1 ZINC000331262234 254651917 /nfs/dbraw/zinc/65/19/17/254651917.db2.gz CYZORTFXEBPBPZ-JTQLQIEISA-N 1 2 325.438 0.876 20 30 ECEDLO C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc3[nH+]c(C)cn3c2)C1=O ZINC000339390494 254673884 /nfs/dbraw/zinc/67/38/84/254673884.db2.gz AYLZRAZZAXHWBJ-UHFFFAOYSA-N 1 2 341.327 0.558 20 30 ECEDLO Cc1nc(N2CC[NH+]([C@@H](C)C(=O)N3CCOCC3)CC2)ccc1C#N ZINC000488081906 254845652 /nfs/dbraw/zinc/84/56/52/254845652.db2.gz CQZLVQMNZQQBTG-HNNXBMFYSA-N 1 2 343.431 0.631 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2ccc(-c3ccc(F)cn3)n2)CC1 ZINC000491817210 254937818 /nfs/dbraw/zinc/93/78/18/254937818.db2.gz XZPKQHZQXDFQKR-UHFFFAOYSA-N 1 2 327.363 0.862 20 30 ECEDLO CCN1CCN(C(=O)N[C@H](C)CS(C)(=O)=O)C[C@@H]1c1[nH]cc[nH+]1 ZINC000331026118 285289323 /nfs/dbraw/zinc/28/93/23/285289323.db2.gz BFRZHWYIQMKVSU-VXGBXAGGSA-N 1 2 343.453 0.435 20 30 ECEDLO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1OC ZINC000419350576 209067144 /nfs/dbraw/zinc/06/71/44/209067144.db2.gz GBBDHIJNPGIUKD-AWEZNQCLSA-N 1 2 331.372 0.820 20 30 ECEDLO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1OC ZINC000419350576 209067147 /nfs/dbraw/zinc/06/71/47/209067147.db2.gz GBBDHIJNPGIUKD-AWEZNQCLSA-N 1 2 331.372 0.820 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CCO)CC2)cc1Cl ZINC000168603595 226218897 /nfs/dbraw/zinc/21/88/97/226218897.db2.gz IUKLHWQRRKZSRK-UHFFFAOYSA-N 1 2 329.809 0.510 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000543752904 420636243 /nfs/dbraw/zinc/63/62/43/420636243.db2.gz OUBNROFINRCAKC-LBPRGKRZSA-N 1 2 349.439 0.158 20 30 ECEDLO Cn1c[nH+]cc1CNC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000358123426 269936595 /nfs/dbraw/zinc/93/65/95/269936595.db2.gz VYNZYXFNHRJMEK-UHFFFAOYSA-N 1 2 325.376 0.719 20 30 ECEDLO CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283313131 264105496 /nfs/dbraw/zinc/10/54/96/264105496.db2.gz QFKKGXDRARRCKN-UHFFFAOYSA-N 1 2 325.372 0.920 20 30 ECEDLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCc1cccc(C#N)c1 ZINC000283506486 264124510 /nfs/dbraw/zinc/12/45/10/264124510.db2.gz BDMUIECVGQGXLJ-UHFFFAOYSA-N 1 2 325.372 0.920 20 30 ECEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000286143514 264373854 /nfs/dbraw/zinc/37/38/54/264373854.db2.gz XUHOGZKXBBGLRK-GLQYFDAESA-N 1 2 327.388 0.983 20 30 ECEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000286143514 264373858 /nfs/dbraw/zinc/37/38/58/264373858.db2.gz XUHOGZKXBBGLRK-GLQYFDAESA-N 1 2 327.388 0.983 20 30 ECEDLO N#Cc1nncn1CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000363029808 270007309 /nfs/dbraw/zinc/00/73/09/270007309.db2.gz STMUALOJHLNGIN-HNNXBMFYSA-N 1 2 340.387 0.167 20 30 ECEDLO N#Cc1nncn1CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000363029808 270007310 /nfs/dbraw/zinc/00/73/10/270007310.db2.gz STMUALOJHLNGIN-HNNXBMFYSA-N 1 2 340.387 0.167 20 30 ECEDLO N#Cc1cccc(CS(=O)(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000378297276 270007753 /nfs/dbraw/zinc/00/77/53/270007753.db2.gz XCALCRFOINHDPG-MRXNPFEDSA-N 1 2 335.429 0.795 20 30 ECEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295556189 265070940 /nfs/dbraw/zinc/07/09/40/265070940.db2.gz XOKMPKKUFWVFNG-SJORKVTESA-N 1 2 349.456 0.737 20 30 ECEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295556189 265070944 /nfs/dbraw/zinc/07/09/44/265070944.db2.gz XOKMPKKUFWVFNG-SJORKVTESA-N 1 2 349.456 0.737 20 30 ECEDLO CCN1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000337010113 266148075 /nfs/dbraw/zinc/14/80/75/266148075.db2.gz LEWAVCMDFINYBM-VXGBXAGGSA-N 1 2 328.380 0.339 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ncc(C#N)cc1Cl ZINC000330541004 266551940 /nfs/dbraw/zinc/55/19/40/266551940.db2.gz MOPWXHULXYBZFV-GFCCVEGCSA-N 1 2 338.795 0.372 20 30 ECEDLO C[C@@H]1C[NH+]=C(N2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)S1 ZINC000288223520 267068833 /nfs/dbraw/zinc/06/88/33/267068833.db2.gz RMZGOHCXPDWMMY-SNVBAGLBSA-N 1 2 340.430 0.949 20 30 ECEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352036527 267110891 /nfs/dbraw/zinc/11/08/91/267110891.db2.gz HIRQXDUVQPJMHM-KBRIMQKVSA-N 1 2 328.416 0.880 20 30 ECEDLO C[C@H]1NC(=O)N(CC[NH+]2CCN(c3ccc(C#N)cc3F)CC2)C1=O ZINC000332110002 267244250 /nfs/dbraw/zinc/24/42/50/267244250.db2.gz GCVOMPSTYOVYLB-GFCCVEGCSA-N 1 2 345.378 0.760 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[NH+]([C@@H](C)C(=O)N3CCOCC3)CC2)n1 ZINC000342782854 267315377 /nfs/dbraw/zinc/31/53/77/267315377.db2.gz PDNMALSVQQZRMQ-AWEZNQCLSA-N 1 2 344.419 0.026 20 30 ECEDLO Cc1nsc(NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)c1C#N ZINC000297496288 267701884 /nfs/dbraw/zinc/70/18/84/267701884.db2.gz UOLDVQIPCFXRDU-UHFFFAOYSA-N 1 2 336.421 0.737 20 30 ECEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@H](S(N)(=O)=O)C3)C2=O)cc1 ZINC000331545073 268127142 /nfs/dbraw/zinc/12/71/42/268127142.db2.gz IKGKYVYXCZANBX-KGLIPLIRSA-N 1 2 334.401 0.026 20 30 ECEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@@H](S(N)(=O)=O)C3)C2=O)cc1 ZINC000331545073 268127144 /nfs/dbraw/zinc/12/71/44/268127144.db2.gz IKGKYVYXCZANBX-KGLIPLIRSA-N 1 2 334.401 0.026 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1F ZINC000292868976 268200527 /nfs/dbraw/zinc/20/05/27/268200527.db2.gz DNUJARSDSLJSJF-UHFFFAOYSA-N 1 2 327.381 0.698 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC3(CNC(=O)C3)CC2)c1 ZINC000338941167 268275652 /nfs/dbraw/zinc/27/56/52/268275652.db2.gz TZBYHYSNLMALRP-UHFFFAOYSA-N 1 2 347.440 0.934 20 30 ECEDLO N#Cc1ccccc1N1CC[NH+](CC2(O)CCS(=O)(=O)CC2)CC1 ZINC000332355235 268276601 /nfs/dbraw/zinc/27/66/01/268276601.db2.gz ICONBUREQXEVRC-UHFFFAOYSA-N 1 2 349.456 0.620 20 30 ECEDLO N#Cc1ncn(CCNC(=O)Cc2c[nH+]cn2Cc2ccccc2)n1 ZINC000342955083 268336059 /nfs/dbraw/zinc/33/60/59/268336059.db2.gz XQXBZWHAFKDTAZ-UHFFFAOYSA-N 1 2 335.371 0.753 20 30 ECEDLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000330709725 437596152 /nfs/dbraw/zinc/59/61/52/437596152.db2.gz WNNDCRUFHFJMCY-GFCCVEGCSA-N 1 2 342.852 0.736 20 30 ECEDLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000330709725 437596159 /nfs/dbraw/zinc/59/61/59/437596159.db2.gz WNNDCRUFHFJMCY-GFCCVEGCSA-N 1 2 342.852 0.736 20 30 ECEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H]3CCC(=O)N(C)C3)C2)CC1 ZINC000329804445 279366506 /nfs/dbraw/zinc/36/65/06/279366506.db2.gz ABXUOFPGDSKBQN-HUUCEWRRSA-N 1 2 337.468 0.233 20 30 ECEDLO CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)N1CCCS1(=O)=O ZINC000329152525 280133761 /nfs/dbraw/zinc/13/37/61/280133761.db2.gz ASNJPUKCPANZHS-CHWSQXEVSA-N 1 2 333.454 0.334 20 30 ECEDLO CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)N1CCCS1(=O)=O ZINC000329152525 280133764 /nfs/dbraw/zinc/13/37/64/280133764.db2.gz ASNJPUKCPANZHS-CHWSQXEVSA-N 1 2 333.454 0.334 20 30 ECEDLO CN(C)C(=O)C1(CNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)CCCC1 ZINC000330772634 437611520 /nfs/dbraw/zinc/61/15/20/437611520.db2.gz WMWLBZCPUVRGLG-CQSZACIVSA-N 1 2 339.484 0.384 20 30 ECEDLO CN(C)C(=O)C1(CNC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)CCCC1 ZINC000330772634 437611522 /nfs/dbraw/zinc/61/15/22/437611522.db2.gz WMWLBZCPUVRGLG-CQSZACIVSA-N 1 2 339.484 0.384 20 30 ECEDLO C[C@H](NC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C)[C@H](C)[NH+]1CCOCC1 ZINC000329137352 297946530 /nfs/dbraw/zinc/94/65/30/297946530.db2.gz RJKHSOLOGYVGJQ-FQUUOJAGSA-N 1 2 339.440 0.312 20 30 ECEDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000070017611 435984161 /nfs/dbraw/zinc/98/41/61/435984161.db2.gz YBROLPJFESFZFD-ZFWWWQNUSA-N 1 2 340.445 0.857 20 30 ECEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000070017611 435984165 /nfs/dbraw/zinc/98/41/65/435984165.db2.gz YBROLPJFESFZFD-ZFWWWQNUSA-N 1 2 340.445 0.857 20 30 ECEDLO COCC[N@H+](CCC#N)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000072689588 436052770 /nfs/dbraw/zinc/05/27/70/436052770.db2.gz WATVRMOQPZLMRF-UHFFFAOYSA-N 1 2 345.447 0.982 20 30 ECEDLO COCC[N@@H+](CCC#N)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000072689588 436052774 /nfs/dbraw/zinc/05/27/74/436052774.db2.gz WATVRMOQPZLMRF-UHFFFAOYSA-N 1 2 345.447 0.982 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)NC(=O)NC3CC3)CC2)cc1 ZINC000023258448 436125833 /nfs/dbraw/zinc/12/58/33/436125833.db2.gz BCWMAUUSDVHSSK-UHFFFAOYSA-N 1 2 341.415 0.664 20 30 ECEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)c1 ZINC000074288370 436117676 /nfs/dbraw/zinc/11/76/76/436117676.db2.gz KWHOQYRJYANHFB-ZDUSSCGKSA-N 1 2 336.417 0.497 20 30 ECEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)c1 ZINC000074288370 436117681 /nfs/dbraw/zinc/11/76/81/436117681.db2.gz KWHOQYRJYANHFB-ZDUSSCGKSA-N 1 2 336.417 0.497 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCC[C@@H]1CNS(C)(=O)=O)C1CC1 ZINC000026173003 436162006 /nfs/dbraw/zinc/16/20/06/436162006.db2.gz RANUORAQFNAYFI-HIFRSBDPSA-N 1 2 342.465 0.199 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCCC[C@@H]1CNS(C)(=O)=O)C1CC1 ZINC000026173003 436162009 /nfs/dbraw/zinc/16/20/09/436162009.db2.gz RANUORAQFNAYFI-HIFRSBDPSA-N 1 2 342.465 0.199 20 30 ECEDLO C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000078256182 436263148 /nfs/dbraw/zinc/26/31/48/436263148.db2.gz IOWCXRCWNAORMI-GFCCVEGCSA-N 1 2 342.403 0.452 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](CC(N)=O)C2)cc1 ZINC000081517307 436348210 /nfs/dbraw/zinc/34/82/10/436348210.db2.gz WNILUQAKSUQHGV-CQSZACIVSA-N 1 2 335.429 0.919 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](CC(N)=O)C2)cc1 ZINC000081517307 436348214 /nfs/dbraw/zinc/34/82/14/436348214.db2.gz WNILUQAKSUQHGV-CQSZACIVSA-N 1 2 335.429 0.919 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@]3(CNC(=O)C3)C2)cc1 ZINC000081517180 436349709 /nfs/dbraw/zinc/34/97/09/436349709.db2.gz FGSFCXDRKHSOCT-QGZVFWFLSA-N 1 2 347.440 0.934 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@]3(CNC(=O)C3)C2)cc1 ZINC000081517180 436349712 /nfs/dbraw/zinc/34/97/12/436349712.db2.gz FGSFCXDRKHSOCT-QGZVFWFLSA-N 1 2 347.440 0.934 20 30 ECEDLO C[C@H](C#N)CN(C)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000080068439 436312298 /nfs/dbraw/zinc/31/22/98/436312298.db2.gz UJKGDFIOTSKCTA-CQSZACIVSA-N 1 2 331.424 0.400 20 30 ECEDLO C#CC[NH+]1CCN(Cn2nnc(-c3ccc(OCC)cc3)n2)CC1 ZINC000045715406 436374552 /nfs/dbraw/zinc/37/45/52/436374552.db2.gz SUGDUSFXOREYCY-UHFFFAOYSA-N 1 2 326.404 0.947 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)cn1 ZINC000090202013 436428991 /nfs/dbraw/zinc/42/89/91/436428991.db2.gz TVFDDBROIXEPNF-KGLIPLIRSA-N 1 2 336.417 0.485 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)cn1 ZINC000090202013 436428996 /nfs/dbraw/zinc/42/89/96/436428996.db2.gz TVFDDBROIXEPNF-KGLIPLIRSA-N 1 2 336.417 0.485 20 30 ECEDLO N#CCCCOc1cccc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)c1 ZINC000091866218 436462866 /nfs/dbraw/zinc/46/28/66/436462866.db2.gz MFMCYVSAHUTNOL-HNNXBMFYSA-N 1 2 342.399 0.512 20 30 ECEDLO N#CCCCOc1cccc(C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)c1 ZINC000091866218 436462870 /nfs/dbraw/zinc/46/28/70/436462870.db2.gz MFMCYVSAHUTNOL-HNNXBMFYSA-N 1 2 342.399 0.512 20 30 ECEDLO C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000052698453 436513912 /nfs/dbraw/zinc/51/39/12/436513912.db2.gz HYMOIJIWJJXAQW-UHFFFAOYSA-N 1 2 330.388 0.315 20 30 ECEDLO CN(C)C(=O)C[NH+]1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000053688011 436537154 /nfs/dbraw/zinc/53/71/54/436537154.db2.gz LRPHPGXLEKXWHO-UHFFFAOYSA-N 1 2 328.416 0.723 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nc(C)nc3c2cnn3C)CC1 ZINC000054045006 436543817 /nfs/dbraw/zinc/54/38/17/436543817.db2.gz IACNRVAIQNVWHM-UHFFFAOYSA-N 1 2 329.408 0.096 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2ncccc2C(N)=O)CC1 ZINC000102399686 436551930 /nfs/dbraw/zinc/55/19/30/436551930.db2.gz BVNWCMOZNZHPPY-UHFFFAOYSA-N 1 2 345.447 0.727 20 30 ECEDLO C=CCNC(=O)c1cccc(S(=O)(=O)NCCn2cc[nH+]c2)c1 ZINC000055217180 436570129 /nfs/dbraw/zinc/57/01/29/436570129.db2.gz CQWBBVVIKSWOMF-UHFFFAOYSA-N 1 2 334.401 0.777 20 30 ECEDLO COCCO[C@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000548684077 302320400 /nfs/dbraw/zinc/32/04/00/302320400.db2.gz OQYQWLQNZZYGKP-JKSUJKDBSA-N 1 2 343.383 0.927 20 30 ECEDLO COCCO[C@H]1CC[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000548684077 302320402 /nfs/dbraw/zinc/32/04/02/302320402.db2.gz OQYQWLQNZZYGKP-JKSUJKDBSA-N 1 2 343.383 0.927 20 30 ECEDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1cc(C#N)ccn1)C2 ZINC000552147573 302385645 /nfs/dbraw/zinc/38/56/45/302385645.db2.gz OAYPXRJMOPILHZ-CYBMUJFWSA-N 1 2 325.372 0.738 20 30 ECEDLO N#C[C@@H](NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000121147073 436707788 /nfs/dbraw/zinc/70/77/88/436707788.db2.gz YASNFAMJHASPQQ-OAHLLOKOSA-N 1 2 341.415 0.929 20 30 ECEDLO CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000067324713 436710807 /nfs/dbraw/zinc/71/08/07/436710807.db2.gz AFBMGIPFEAYFHV-UHFFFAOYSA-N 1 2 327.344 0.908 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cc(C(=O)OC)oc2C)CC1 ZINC000270023854 436670120 /nfs/dbraw/zinc/67/01/20/436670120.db2.gz XFAMBQDZQMWNFM-UHFFFAOYSA-N 1 2 340.401 0.704 20 30 ECEDLO CCOC1CC(CNC(=O)c2cc(C#N)c[nH]2)([NH+]2CCOCC2)C1 ZINC000194792181 436672462 /nfs/dbraw/zinc/67/24/62/436672462.db2.gz VVCZASXYFLPMGO-UHFFFAOYSA-N 1 2 332.404 0.886 20 30 ECEDLO C#CCCN1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000270528826 436674031 /nfs/dbraw/zinc/67/40/31/436674031.db2.gz CYMONXLBIPGNIC-MRXNPFEDSA-N 1 2 333.388 0.975 20 30 ECEDLO C=CCc1cc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)cc(OC)c1O ZINC000271269023 436679624 /nfs/dbraw/zinc/67/96/24/436679624.db2.gz MPZNUDCTBKFTQP-AWEZNQCLSA-N 1 2 345.399 0.272 20 30 ECEDLO C=CCc1cc(C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)cc(OC)c1O ZINC000271269023 436679627 /nfs/dbraw/zinc/67/96/27/436679627.db2.gz MPZNUDCTBKFTQP-AWEZNQCLSA-N 1 2 345.399 0.272 20 30 ECEDLO C=CCNC(=O)CN1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000068388085 436742563 /nfs/dbraw/zinc/74/25/63/436742563.db2.gz AGJCTGIPWDPYSQ-UHFFFAOYSA-N 1 2 327.388 0.394 20 30 ECEDLO CNC(=O)C1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000068383928 436742622 /nfs/dbraw/zinc/74/26/22/436742622.db2.gz RPDAHDNYIXYCLI-UHFFFAOYSA-N 1 2 326.400 0.729 20 30 ECEDLO C[C@H](O)C(=O)N1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000152997043 436745665 /nfs/dbraw/zinc/74/56/65/436745665.db2.gz XLFCBQXSFFTHGF-NSHDSACASA-N 1 2 336.417 0.473 20 30 ECEDLO CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)CC#N)c2)CC1 ZINC000153524523 436757825 /nfs/dbraw/zinc/75/78/25/436757825.db2.gz NHSDYNAAOVCRAJ-UHFFFAOYSA-N 1 2 336.417 0.865 20 30 ECEDLO CC1(C#N)CC[NH+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000272527101 436718243 /nfs/dbraw/zinc/71/82/43/436718243.db2.gz HYZWOILAEOEJIC-UHFFFAOYSA-N 1 2 336.417 0.898 20 30 ECEDLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000249008670 436814405 /nfs/dbraw/zinc/81/44/05/436814405.db2.gz JIACPPISASGSFS-CABCVRRESA-N 1 2 342.465 0.802 20 30 ECEDLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000249008670 436814408 /nfs/dbraw/zinc/81/44/08/436814408.db2.gz JIACPPISASGSFS-CABCVRRESA-N 1 2 342.465 0.802 20 30 ECEDLO COc1ccc(N2CCN(C(=O)CO[NH+]=C(N)CCO)CC2)cc1 ZINC000274330917 436816601 /nfs/dbraw/zinc/81/66/01/436816601.db2.gz FVUXGPSOUBCNHI-UHFFFAOYSA-N 1 2 336.392 0.015 20 30 ECEDLO CS(=O)(=O)N[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000247257361 436792673 /nfs/dbraw/zinc/79/26/73/436792673.db2.gz YDALYWVLGFBCOG-HIFRSBDPSA-N 1 2 348.428 0.287 20 30 ECEDLO CS(=O)(=O)N[C@@H]1CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000247257361 436792676 /nfs/dbraw/zinc/79/26/76/436792676.db2.gz YDALYWVLGFBCOG-HIFRSBDPSA-N 1 2 348.428 0.287 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC(=O)N(C)CC1CC1 ZINC000155544263 436797574 /nfs/dbraw/zinc/79/75/74/436797574.db2.gz YHWQXSMEFGRRCC-ZDUSSCGKSA-N 1 2 328.420 0.727 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CC(=O)N(C)CC1CC1 ZINC000155544263 436797576 /nfs/dbraw/zinc/79/75/76/436797576.db2.gz YHWQXSMEFGRRCC-ZDUSSCGKSA-N 1 2 328.420 0.727 20 30 ECEDLO C=CCNS(=O)(=O)c1cc(C(=O)N2CC[NH+](C)CC2)ccc1F ZINC000248081354 436799243 /nfs/dbraw/zinc/79/92/43/436799243.db2.gz ALCJLTSZBCJRIF-UHFFFAOYSA-N 1 2 341.408 0.678 20 30 ECEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000158090875 436839093 /nfs/dbraw/zinc/83/90/93/436839093.db2.gz PCTYNLDGSBNQJH-CJNGLKHVSA-N 1 2 346.431 0.631 20 30 ECEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000158090875 436839098 /nfs/dbraw/zinc/83/90/98/436839098.db2.gz PCTYNLDGSBNQJH-CJNGLKHVSA-N 1 2 346.431 0.631 20 30 ECEDLO CCNC(=O)C[NH+]1CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000129174527 436824633 /nfs/dbraw/zinc/82/46/33/436824633.db2.gz SCNRAIVIRPOUQO-UHFFFAOYSA-N 1 2 326.404 0.460 20 30 ECEDLO C=CCCCCNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000274515026 436836318 /nfs/dbraw/zinc/83/63/18/436836318.db2.gz MBWTZDPAQVORFT-UHFFFAOYSA-N 1 2 349.435 0.626 20 30 ECEDLO CCN(CC#N)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000163485308 436924118 /nfs/dbraw/zinc/92/41/18/436924118.db2.gz OBEGRVPNSFQESV-UHFFFAOYSA-N 1 2 329.404 0.882 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000280261684 436876893 /nfs/dbraw/zinc/87/68/93/436876893.db2.gz XTHZLQMXGQMLFH-QWHCGFSZSA-N 1 2 334.424 0.109 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000280261684 436876895 /nfs/dbraw/zinc/87/68/95/436876895.db2.gz XTHZLQMXGQMLFH-QWHCGFSZSA-N 1 2 334.424 0.109 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Cl)cn2)CC1 ZINC000134851484 436903872 /nfs/dbraw/zinc/90/38/72/436903872.db2.gz IASLNGUYZNBFAA-UHFFFAOYSA-N 1 2 334.807 0.632 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Cl)cn2)CC1 ZINC000134851484 436903876 /nfs/dbraw/zinc/90/38/76/436903876.db2.gz IASLNGUYZNBFAA-UHFFFAOYSA-N 1 2 334.807 0.632 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(Cl)cn2C)CC1 ZINC000171039927 436965270 /nfs/dbraw/zinc/96/52/70/436965270.db2.gz QPOSPOUGMJOGLN-UHFFFAOYSA-N 1 2 336.823 0.576 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(Cl)cn2C)CC1 ZINC000171039927 436965271 /nfs/dbraw/zinc/96/52/71/436965271.db2.gz QPOSPOUGMJOGLN-UHFFFAOYSA-N 1 2 336.823 0.576 20 30 ECEDLO C[C@@H]1C[NH+](CCCNS(=O)(=O)c2ccc(C#N)nc2)C[C@@H](C)O1 ZINC000170658071 436949286 /nfs/dbraw/zinc/94/92/86/436949286.db2.gz AJMNLKVEFRIRRX-CHWSQXEVSA-N 1 2 338.433 0.731 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NCCCC(=O)OCC)C1=O ZINC000281280400 436959902 /nfs/dbraw/zinc/95/99/02/436959902.db2.gz IRXMFMWPZWVCDT-ZDUSSCGKSA-N 1 2 325.409 0.165 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NCCCC(=O)OCC)C1=O ZINC000281280400 436959905 /nfs/dbraw/zinc/95/99/05/436959905.db2.gz IRXMFMWPZWVCDT-ZDUSSCGKSA-N 1 2 325.409 0.165 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc3c([nH]2)CCCC3)CC1 ZINC000294578391 436960772 /nfs/dbraw/zinc/96/07/72/436960772.db2.gz MEQATEXCJDAAKW-UHFFFAOYSA-N 1 2 342.443 0.791 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc3c([nH]2)CCCC3)CC1 ZINC000294578391 436960775 /nfs/dbraw/zinc/96/07/75/436960775.db2.gz MEQATEXCJDAAKW-UHFFFAOYSA-N 1 2 342.443 0.791 20 30 ECEDLO C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1=O ZINC000263768827 436985709 /nfs/dbraw/zinc/98/57/09/436985709.db2.gz SEWCQWONTPNIRW-LLVKDONJSA-N 1 2 345.359 0.440 20 30 ECEDLO C=CCCN(C)C(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000297711552 437013349 /nfs/dbraw/zinc/01/33/49/437013349.db2.gz GKGVKLCHXRRRHN-ZDUSSCGKSA-N 1 2 325.409 0.117 20 30 ECEDLO C=CCCN(C)C(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000297711552 437013352 /nfs/dbraw/zinc/01/33/52/437013352.db2.gz GKGVKLCHXRRRHN-ZDUSSCGKSA-N 1 2 325.409 0.117 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000298564536 437043939 /nfs/dbraw/zinc/04/39/39/437043939.db2.gz LUCYPNDOZNSZSF-VXGBXAGGSA-N 1 2 331.438 0.143 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000298564536 437043943 /nfs/dbraw/zinc/04/39/43/437043943.db2.gz LUCYPNDOZNSZSF-VXGBXAGGSA-N 1 2 331.438 0.143 20 30 ECEDLO N#Cc1cc(F)ccc1N1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000264599879 437049972 /nfs/dbraw/zinc/04/99/72/437049972.db2.gz BGEAMQOCOQUJAI-UHFFFAOYSA-N 1 2 332.379 0.678 20 30 ECEDLO CCOC(=O)N[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000299074186 437057947 /nfs/dbraw/zinc/05/79/47/437057947.db2.gz FGRSQCCJLTXWHU-CQSZACIVSA-N 1 2 335.408 0.853 20 30 ECEDLO CCOC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000299074186 437057949 /nfs/dbraw/zinc/05/79/49/437057949.db2.gz FGRSQCCJLTXWHU-CQSZACIVSA-N 1 2 335.408 0.853 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000173837084 437066046 /nfs/dbraw/zinc/06/60/46/437066046.db2.gz XPQOPQGXRNMZQL-AWEZNQCLSA-N 1 2 337.445 0.343 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000173837084 437066049 /nfs/dbraw/zinc/06/60/49/437066049.db2.gz XPQOPQGXRNMZQL-AWEZNQCLSA-N 1 2 337.445 0.343 20 30 ECEDLO N#C[C@@H]1CN(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CCO1 ZINC000336950487 303162351 /nfs/dbraw/zinc/16/23/51/303162351.db2.gz SYXQINMOECVXAO-NEPJUHHUSA-N 1 2 325.394 0.406 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(OC)cs2)CC1 ZINC000176772457 437157512 /nfs/dbraw/zinc/15/75/12/437157512.db2.gz BRMKQGRMCZMKMS-UHFFFAOYSA-N 1 2 335.429 0.654 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(OC)cs2)CC1 ZINC000176772457 437157518 /nfs/dbraw/zinc/15/75/18/437157518.db2.gz BRMKQGRMCZMKMS-UHFFFAOYSA-N 1 2 335.429 0.654 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)Oc2cccnc2)CC1 ZINC000265607335 437160290 /nfs/dbraw/zinc/16/02/90/437160290.db2.gz WCBFKXDZYXNGST-OAHLLOKOSA-N 1 2 344.415 0.133 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)Oc2cccnc2)CC1 ZINC000265607335 437160296 /nfs/dbraw/zinc/16/02/96/437160296.db2.gz WCBFKXDZYXNGST-OAHLLOKOSA-N 1 2 344.415 0.133 20 30 ECEDLO C[NH+](C)C1(C#N)CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)CC1 ZINC000331807276 437163020 /nfs/dbraw/zinc/16/30/20/437163020.db2.gz RUXKFRXVGKEMTA-RRFJBIMHSA-N 1 2 348.447 0.507 20 30 ECEDLO C#CCC[NH+]1CCN(c2cnn(C)c(=O)c2Br)CC1 ZINC000301256660 437118544 /nfs/dbraw/zinc/11/85/44/437118544.db2.gz UCQYMOOOSBSJPK-UHFFFAOYSA-N 1 2 325.210 0.688 20 30 ECEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328823495 437268734 /nfs/dbraw/zinc/26/87/34/437268734.db2.gz GTBXOUIVRKBPNM-HZPDHXFCSA-N 1 2 349.435 0.918 20 30 ECEDLO C[NH+](C)[C@@H](CNC(=O)Cn1cnc(C#N)n1)c1c(F)cccc1F ZINC000178585972 437218277 /nfs/dbraw/zinc/21/82/77/437218277.db2.gz SFZXKOCEVPQPBS-LBPRGKRZSA-N 1 2 334.330 0.847 20 30 ECEDLO N#C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CCO1 ZINC000332458085 437224670 /nfs/dbraw/zinc/22/46/70/437224670.db2.gz ICBNKPXVEYNJBO-OAHLLOKOSA-N 1 2 334.445 0.617 20 30 ECEDLO Cn1cnc2c1nccc2C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000287747918 437228810 /nfs/dbraw/zinc/22/88/10/437228810.db2.gz SVOPUHCOIRUYET-UHFFFAOYSA-N 1 2 342.403 0.656 20 30 ECEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@]2(O)CCOC2)CC1=O ZINC000178808064 437231455 /nfs/dbraw/zinc/23/14/55/437231455.db2.gz OKWONBWSKPKQPP-GOSISDBHSA-N 1 2 342.399 0.798 20 30 ECEDLO CC[N@H+](Cc1nnc(C)o1)[C@@H]1CN(C(=O)NCc2ccco2)C[C@H]1O ZINC000328651089 437245842 /nfs/dbraw/zinc/24/58/42/437245842.db2.gz VVMLPHFCNODEHK-ZIAGYGMSSA-N 1 2 349.391 0.952 20 30 ECEDLO CC[N@@H+](Cc1nnc(C)o1)[C@@H]1CN(C(=O)NCc2ccco2)C[C@H]1O ZINC000328651089 437245843 /nfs/dbraw/zinc/24/58/43/437245843.db2.gz VVMLPHFCNODEHK-ZIAGYGMSSA-N 1 2 349.391 0.952 20 30 ECEDLO C[C@@](O)(CNC(=O)c1cc(F)cc2n[nH]nc21)C[NH+]1CCOCC1 ZINC000328646701 437246221 /nfs/dbraw/zinc/24/62/21/437246221.db2.gz HBDQAZAXKMFJLA-OAHLLOKOSA-N 1 2 337.355 0.485 20 30 ECEDLO C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)C1 ZINC000328726814 437257768 /nfs/dbraw/zinc/25/77/68/437257768.db2.gz ZVEBICHIKNFAQZ-RRFJBIMHSA-N 1 2 341.452 0.388 20 30 ECEDLO C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)C1 ZINC000328726814 437257772 /nfs/dbraw/zinc/25/77/72/437257772.db2.gz ZVEBICHIKNFAQZ-RRFJBIMHSA-N 1 2 341.452 0.388 20 30 ECEDLO C[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000328763018 437260619 /nfs/dbraw/zinc/26/06/19/437260619.db2.gz ZDZAUPLPOUDDIH-AAVRWANBSA-N 1 2 337.420 0.837 20 30 ECEDLO C[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000328763018 437260621 /nfs/dbraw/zinc/26/06/21/437260621.db2.gz ZDZAUPLPOUDDIH-AAVRWANBSA-N 1 2 337.420 0.837 20 30 ECEDLO C[C@@H]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C[C@@H]1n1cc[nH+]c1 ZINC000336912231 437309123 /nfs/dbraw/zinc/30/91/23/437309123.db2.gz YRURNLYIYIQJHF-MCIONIFRSA-N 1 2 339.421 0.235 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000336948279 437316639 /nfs/dbraw/zinc/31/66/39/437316639.db2.gz QGYUVTMWRIZYSH-HUUCEWRRSA-N 1 2 345.513 0.328 20 30 ECEDLO Cn1cc(C[N@@H+]2CCO[C@@H](C(N)=O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180021451 437279011 /nfs/dbraw/zinc/27/90/11/437279011.db2.gz FKEWANNDDLABPR-OAHLLOKOSA-N 1 2 325.372 0.645 20 30 ECEDLO Cn1cc(C[N@H+]2CCO[C@@H](C(N)=O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180021451 437279014 /nfs/dbraw/zinc/27/90/14/437279014.db2.gz FKEWANNDDLABPR-OAHLLOKOSA-N 1 2 325.372 0.645 20 30 ECEDLO Cc1cc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)nn1CCC#N ZINC000328936948 437287882 /nfs/dbraw/zinc/28/78/82/437287882.db2.gz CTQOGXZJHOOEQU-KGLIPLIRSA-N 1 2 332.408 1.042 20 30 ECEDLO Cc1cc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)nn1CCC#N ZINC000328936948 437287885 /nfs/dbraw/zinc/28/78/85/437287885.db2.gz CTQOGXZJHOOEQU-KGLIPLIRSA-N 1 2 332.408 1.042 20 30 ECEDLO Cc1nsc(N2CC[NH+](CCN3C(=O)N[C@H](C)C3=O)CC2)c1C#N ZINC000333832242 437290248 /nfs/dbraw/zinc/29/02/48/437290248.db2.gz LMKJTNWKECKGDO-LLVKDONJSA-N 1 2 348.432 0.386 20 30 ECEDLO Cc1cc(=O)c(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cn1C1CC1 ZINC000329245855 437341012 /nfs/dbraw/zinc/34/10/12/437341012.db2.gz AJXVEISTFPRNQB-SFHVURJKSA-N 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30 ECEDLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)o2)[C@@H](C)C1 ZINC000344725871 437762742 /nfs/dbraw/zinc/76/27/42/437762742.db2.gz OVHFDBRYILVQQX-NSHDSACASA-N 1 2 341.389 0.409 20 30 ECEDLO C[C@@H]1C[C@H](CNC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)CCO1 ZINC000331224552 437722373 /nfs/dbraw/zinc/72/23/73/437722373.db2.gz DSBHZSYXQLHLSW-MCIONIFRSA-N 1 2 342.440 0.883 20 30 ECEDLO C[C@@H]1C[C@H](CNC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)CCO1 ZINC000331224552 437722377 /nfs/dbraw/zinc/72/23/77/437722377.db2.gz DSBHZSYXQLHLSW-MCIONIFRSA-N 1 2 342.440 0.883 20 30 ECEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)c1cnn(C)c1C#N ZINC000356090306 437746264 /nfs/dbraw/zinc/74/62/64/437746264.db2.gz MDLVPEINULVXTN-RYUDHWBXSA-N 1 2 345.382 0.368 20 30 ECEDLO COc1cc([C@H](C#N)NC(=O)[C@@H]2C[N@H+](C)CCO2)cc(OC)c1OC ZINC000345261944 437786507 /nfs/dbraw/zinc/78/65/07/437786507.db2.gz VTFGWGZZWOKZES-WFASDCNBSA-N 1 2 349.387 0.724 20 30 ECEDLO COc1cc([C@H](C#N)NC(=O)[C@@H]2C[N@@H+](C)CCO2)cc(OC)c1OC ZINC000345261944 437786513 /nfs/dbraw/zinc/78/65/13/437786513.db2.gz VTFGWGZZWOKZES-WFASDCNBSA-N 1 2 349.387 0.724 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH2+][C@H](c1nc(C)no1)C1CCOCC1 ZINC000345797241 437798539 /nfs/dbraw/zinc/79/85/39/437798539.db2.gz SODGXPZQMZSXNY-ZDUSSCGKSA-N 1 2 337.380 0.447 20 30 ECEDLO CC(C)NC(=O)C[NH+]1CCN([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000345805962 437800086 /nfs/dbraw/zinc/80/00/86/437800086.db2.gz DLMDAECTVVCVRU-AWEZNQCLSA-N 1 2 335.452 0.080 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)N1CC[NH+](C2(C(N)=O)CCCCC2)CC1 ZINC000363594429 437800170 /nfs/dbraw/zinc/80/01/70/437800170.db2.gz AVZBNODDUZJVQJ-UHFFFAOYSA-N 1 2 343.431 0.843 20 30 ECEDLO C=C[C@@H](CO)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000356877841 437852428 /nfs/dbraw/zinc/85/24/28/437852428.db2.gz VUORPONJBGADHF-DZGCQCFKSA-N 1 2 334.420 0.680 20 30 ECEDLO C=C[C@@H](CO)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000356877841 437852431 /nfs/dbraw/zinc/85/24/31/437852431.db2.gz 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ZINC000372478521 438088322 /nfs/dbraw/zinc/08/83/22/438088322.db2.gz SSQFVSGWONZYBO-GOSISDBHSA-N 1 2 345.399 0.517 20 30 ECEDLO CCOC(=O)[C@](C)(O)C[N@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000372478521 438088326 /nfs/dbraw/zinc/08/83/26/438088326.db2.gz SSQFVSGWONZYBO-GOSISDBHSA-N 1 2 345.399 0.517 20 30 ECEDLO COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)CC(=O)NCC#N)C2=O)c1 ZINC000357916312 438098256 /nfs/dbraw/zinc/09/82/56/438098256.db2.gz QNJHCRAJMZWEEK-OAHLLOKOSA-N 1 2 346.387 0.381 20 30 ECEDLO COc1cc(OC)cc(N2CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C2=O)c1 ZINC000357916312 438098259 /nfs/dbraw/zinc/09/82/59/438098259.db2.gz QNJHCRAJMZWEEK-OAHLLOKOSA-N 1 2 346.387 0.381 20 30 ECEDLO C=CCC[N@@H+](C)CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000342728660 438055159 /nfs/dbraw/zinc/05/51/59/438055159.db2.gz XFCUFUGQOMOISI-GJZGRUSLSA-N 1 2 344.477 0.689 20 30 ECEDLO C=CCC[N@H+](C)CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000342728660 438055163 /nfs/dbraw/zinc/05/51/63/438055163.db2.gz XFCUFUGQOMOISI-GJZGRUSLSA-N 1 2 344.477 0.689 20 30 ECEDLO N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000372315413 438067256 /nfs/dbraw/zinc/06/72/56/438067256.db2.gz LEKHAQREJICHHZ-OAHLLOKOSA-N 1 2 331.420 0.520 20 30 ECEDLO CCOC(=O)C1(O)CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000348540630 438073293 /nfs/dbraw/zinc/07/32/93/438073293.db2.gz ZXOTUWISFBKNTH-OAHLLOKOSA-N 1 2 325.409 0.431 20 30 ECEDLO COC(=O)C[C@H]1CSCC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000348583102 438078327 /nfs/dbraw/zinc/07/83/27/438078327.db2.gz WJQNSJMWBOIXNY-SWLSCSKDSA-N 1 2 325.434 0.775 20 30 ECEDLO COC(=O)C[C@H]1CSCC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000348583102 438078330 /nfs/dbraw/zinc/07/83/30/438078330.db2.gz WJQNSJMWBOIXNY-SWLSCSKDSA-N 1 2 325.434 0.775 20 30 ECEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000366659670 438110644 /nfs/dbraw/zinc/11/06/44/438110644.db2.gz ZXJFQGZVQKKDNW-GDBMZVCRSA-N 1 2 338.452 0.431 20 30 ECEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000366659670 438110649 /nfs/dbraw/zinc/11/06/49/438110649.db2.gz ZXJFQGZVQKKDNW-GDBMZVCRSA-N 1 2 338.452 0.431 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)C2CCOCC2)CC1 ZINC000366841758 438134653 /nfs/dbraw/zinc/13/46/53/438134653.db2.gz KSAGCDQXYHPDLE-OAHLLOKOSA-N 1 2 335.448 0.333 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)C2CCOCC2)CC1 ZINC000366841758 438134658 /nfs/dbraw/zinc/13/46/58/438134658.db2.gz KSAGCDQXYHPDLE-OAHLLOKOSA-N 1 2 335.448 0.333 20 30 ECEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)NCC(=O)NCC#N ZINC000358287370 438192090 /nfs/dbraw/zinc/19/20/90/438192090.db2.gz CFTFYLVRVQWNLH-UHFFFAOYSA-N 1 2 340.387 0.713 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000374534140 438215495 /nfs/dbraw/zinc/21/54/95/438215495.db2.gz KYQUFJYPHARDKN-IAGOWNOFSA-N 1 2 348.491 0.862 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000374534140 438215499 /nfs/dbraw/zinc/21/54/99/438215499.db2.gz KYQUFJYPHARDKN-IAGOWNOFSA-N 1 2 348.491 0.862 20 30 ECEDLO CN(CCC#N)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000350136354 438197747 /nfs/dbraw/zinc/19/77/47/438197747.db2.gz BNKDEVFSCVUINY-UHFFFAOYSA-N 1 2 330.392 0.847 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000374415711 438206316 /nfs/dbraw/zinc/20/63/16/438206316.db2.gz OIGLUFQTOSUHRW-RBSFLKMASA-N 1 2 344.481 0.556 20 30 ECEDLO C=CCNC(=O)Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000375795427 438262623 /nfs/dbraw/zinc/26/26/23/438262623.db2.gz QQJSVUQMSZSXQY-HNNXBMFYSA-N 1 2 342.403 0.549 20 30 ECEDLO C=CCNC(=O)Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000375795427 438262629 /nfs/dbraw/zinc/26/26/29/438262629.db2.gz QQJSVUQMSZSXQY-HNNXBMFYSA-N 1 2 342.403 0.549 20 30 ECEDLO CN1C(=O)[C@H]2C[N@H+](CC(=O)Nc3cccc(C#N)c3)CCN2C1=O ZINC000375863196 438264892 /nfs/dbraw/zinc/26/48/92/438264892.db2.gz WYZROJNNRNXMBG-CYBMUJFWSA-N 1 2 327.344 0.075 20 30 ECEDLO CN1C(=O)[C@H]2C[N@@H+](CC(=O)Nc3cccc(C#N)c3)CCN2C1=O ZINC000375863196 438264898 /nfs/dbraw/zinc/26/48/98/438264898.db2.gz WYZROJNNRNXMBG-CYBMUJFWSA-N 1 2 327.344 0.075 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000351065835 438249788 /nfs/dbraw/zinc/24/97/88/438249788.db2.gz RMLDYECIYALDFK-OIISXLGYSA-N 1 2 348.399 0.950 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000351065835 438249793 /nfs/dbraw/zinc/24/97/93/438249793.db2.gz RMLDYECIYALDFK-OIISXLGYSA-N 1 2 348.399 0.950 20 30 ECEDLO CO/N=C/C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000378128250 438353053 /nfs/dbraw/zinc/35/30/53/438353053.db2.gz NLRWUPSWMMJFNQ-VVBXCHJUSA-N 1 2 340.424 0.772 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000378227914 438365746 /nfs/dbraw/zinc/36/57/46/438365746.db2.gz DEJDEMIETZCXQN-DGCLKSJQSA-N 1 2 336.417 0.509 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000378227914 438365751 /nfs/dbraw/zinc/36/57/51/438365751.db2.gz DEJDEMIETZCXQN-DGCLKSJQSA-N 1 2 336.417 0.509 20 30 ECEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](O)C[C@@H]2CO)cc1 ZINC000352031619 438372271 /nfs/dbraw/zinc/37/22/71/438372271.db2.gz GDMDFOPPLYDBHN-HZPDHXFCSA-N 1 2 347.415 0.759 20 30 ECEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](O)C[C@@H]2CO)cc1 ZINC000352031619 438372274 /nfs/dbraw/zinc/37/22/74/438372274.db2.gz GDMDFOPPLYDBHN-HZPDHXFCSA-N 1 2 347.415 0.759 20 30 ECEDLO CNC(=O)C[N@@H+]1CCCN([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000368828818 438384941 /nfs/dbraw/zinc/38/49/41/438384941.db2.gz HJJFMGHVKUCRQA-CQSZACIVSA-N 1 2 343.431 0.639 20 30 ECEDLO CNC(=O)C[N@H+]1CCCN([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000368828818 438384943 /nfs/dbraw/zinc/38/49/43/438384943.db2.gz HJJFMGHVKUCRQA-CQSZACIVSA-N 1 2 343.431 0.639 20 30 ECEDLO CC[C@@H](C(=O)OC)N1CC[NH+](CC(=O)N(CC)C[C@@H](C)C#N)CC1 ZINC000352722953 438466259 /nfs/dbraw/zinc/46/62/59/438466259.db2.gz GWCIJBYRFPFYGT-GJZGRUSLSA-N 1 2 338.452 0.564 20 30 ECEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352889411 438487794 /nfs/dbraw/zinc/48/77/94/438487794.db2.gz YNFMWGJFWMNJQP-XOKHGSTOSA-N 1 2 328.416 0.880 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cnc2nccnc2c1 ZINC000352947273 438492309 /nfs/dbraw/zinc/49/23/09/438492309.db2.gz YFLDILGIEMNPLQ-UHFFFAOYSA-N 1 2 340.387 0.713 20 30 ECEDLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C#N)cn2C)CC1 ZINC000370248470 438565371 /nfs/dbraw/zinc/56/53/71/438565371.db2.gz FSHNWLJYVQRZBX-UHFFFAOYSA-N 1 2 331.420 0.569 20 30 ECEDLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)c2cc(C#N)cn2C)CC1 ZINC000370248470 438565373 /nfs/dbraw/zinc/56/53/73/438565373.db2.gz FSHNWLJYVQRZBX-UHFFFAOYSA-N 1 2 331.420 0.569 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(c2nc([C@@H](C)OC)ns2)CC1 ZINC000370286592 438568124 /nfs/dbraw/zinc/56/81/24/438568124.db2.gz XCDAMSXPDGWXPH-GFCCVEGCSA-N 1 2 337.449 0.507 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2nc([C@@H](C)OC)ns2)CC1 ZINC000370286592 438568128 /nfs/dbraw/zinc/56/81/28/438568128.db2.gz XCDAMSXPDGWXPH-GFCCVEGCSA-N 1 2 337.449 0.507 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000451899127 438614067 /nfs/dbraw/zinc/61/40/67/438614067.db2.gz WRFQEJBKSXBELV-MCIONIFRSA-N 1 2 330.454 0.166 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000451899127 438614076 /nfs/dbraw/zinc/61/40/76/438614076.db2.gz WRFQEJBKSXBELV-MCIONIFRSA-N 1 2 330.454 0.166 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000442814141 438626700 /nfs/dbraw/zinc/62/67/00/438626700.db2.gz UPVUKYXWFCXITK-UHFFFAOYSA-N 1 2 331.342 0.848 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000493732825 438645741 /nfs/dbraw/zinc/64/57/41/438645741.db2.gz IIKCPWACHAZARB-NSHDSACASA-N 1 2 326.397 0.597 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000493732825 438645745 /nfs/dbraw/zinc/64/57/45/438645745.db2.gz IIKCPWACHAZARB-NSHDSACASA-N 1 2 326.397 0.597 20 30 ECEDLO CS(=O)(=O)[C@H]1CCCC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000444796262 438664989 /nfs/dbraw/zinc/66/49/89/438664989.db2.gz WDEVAEOOURGDPK-AWEZNQCLSA-N 1 2 340.449 0.541 20 30 ECEDLO CS(=O)(=O)[C@H]1CCCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000444796262 438664992 /nfs/dbraw/zinc/66/49/92/438664992.db2.gz WDEVAEOOURGDPK-AWEZNQCLSA-N 1 2 340.449 0.541 20 30 ECEDLO C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)C[C@H](Cc2ccc(F)cc2)C1=O ZINC000414124837 438699337 /nfs/dbraw/zinc/69/93/37/438699337.db2.gz CQPUJWURCSXRCY-GOEBONIOSA-N 1 2 347.390 0.950 20 30 ECEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)C[C@H](Cc2ccc(F)cc2)C1=O ZINC000414124837 438699339 /nfs/dbraw/zinc/69/93/39/438699339.db2.gz CQPUJWURCSXRCY-GOEBONIOSA-N 1 2 347.390 0.950 20 30 ECEDLO COc1ccc(S(=O)(=O)N(C)C[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000414163063 438699736 /nfs/dbraw/zinc/69/97/36/438699736.db2.gz MUMVYKIZWRIWOZ-ZDUSSCGKSA-N 1 2 341.433 0.522 20 30 ECEDLO COc1ccc(S(=O)(=O)N(C)C[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000414163063 438699738 /nfs/dbraw/zinc/69/97/38/438699738.db2.gz MUMVYKIZWRIWOZ-ZDUSSCGKSA-N 1 2 341.433 0.522 20 30 ECEDLO C[N@H+](CCC#N)C[C@H](O)CN1C(=O)C[C@H](Cc2ccc(F)cc2)C1=O ZINC000414124838 438700213 /nfs/dbraw/zinc/70/02/13/438700213.db2.gz CQPUJWURCSXRCY-HOCLYGCPSA-N 1 2 347.390 0.950 20 30 ECEDLO C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)C[C@H](Cc2ccc(F)cc2)C1=O ZINC000414124838 438700214 /nfs/dbraw/zinc/70/02/14/438700214.db2.gz CQPUJWURCSXRCY-HOCLYGCPSA-N 1 2 347.390 0.950 20 30 ECEDLO C[C@H](C#N)CNC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495106727 438718460 /nfs/dbraw/zinc/71/84/60/438718460.db2.gz SDMZOJVBOBRIHE-CHWSQXEVSA-N 1 2 339.440 0.996 20 30 ECEDLO C[C@H](C#N)CNC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495106727 438718462 /nfs/dbraw/zinc/71/84/62/438718462.db2.gz SDMZOJVBOBRIHE-CHWSQXEVSA-N 1 2 339.440 0.996 20 30 ECEDLO N#CCNC(=O)C[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000507266023 438806894 /nfs/dbraw/zinc/80/68/94/438806894.db2.gz HPZHAXHOMBAKDK-LLVKDONJSA-N 1 2 325.166 0.205 20 30 ECEDLO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[NH+]2CC(O)(CC#N)C2)CC1 ZINC000497051044 438761094 /nfs/dbraw/zinc/76/10/94/438761094.db2.gz ASPRIIUQKFVVKA-AWEZNQCLSA-N 1 2 339.436 0.955 20 30 ECEDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cc(C)c(C#N)cn2)CC1 ZINC000457622371 438815723 /nfs/dbraw/zinc/81/57/23/438815723.db2.gz VOWZQPFTKGDFFV-ZDUSSCGKSA-N 1 2 330.388 0.971 20 30 ECEDLO Cc1nccnc1Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000601082514 438817909 /nfs/dbraw/zinc/81/79/09/438817909.db2.gz IIMBCAFTVSTLAU-UHFFFAOYSA-N 1 2 325.372 0.699 20 30 ECEDLO N#CC1(CNC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000559334203 438835022 /nfs/dbraw/zinc/83/50/22/438835022.db2.gz KFPXXIJCJYTZLU-UHFFFAOYSA-N 1 2 333.436 0.534 20 30 ECEDLO C=CCC[C@H](CO)NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000457953473 438844736 /nfs/dbraw/zinc/84/47/36/438844736.db2.gz RJCKFQIGQYNKLZ-ZBFHGGJFSA-N 1 2 343.493 0.821 20 30 ECEDLO CC1(C)[C@@H](NS(=O)(=O)c2ccc(C#N)o2)C[C@@H]1[NH+]1CCOCC1 ZINC000601452012 438899516 /nfs/dbraw/zinc/89/95/16/438899516.db2.gz DAKAXXDGZZSTMZ-STQMWFEESA-N 1 2 339.417 0.929 20 30 ECEDLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2ccccc2CC#N)CC1 ZINC000601359760 438861949 /nfs/dbraw/zinc/86/19/49/438861949.db2.gz ZDIKTHMTTFMCDO-OAHLLOKOSA-N 1 2 337.445 0.830 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000564870577 438881245 /nfs/dbraw/zinc/88/12/45/438881245.db2.gz CRWCTWVUBNFEGW-CRAIPNDOSA-N 1 2 328.416 0.995 20 30 ECEDLO C=CCNC(=O)CN1CCN(C(=O)NCc2c[nH+]ccc2OC)CC1 ZINC000458813797 438919100 /nfs/dbraw/zinc/91/91/00/438919100.db2.gz PGFXDQGNLPUOLH-UHFFFAOYSA-N 1 2 347.419 0.220 20 30 ECEDLO CCNC(=O)CN(C)c1cc(C)[nH+]c(N(C)CC(=O)NCC)c1C#N ZINC000596088532 438922491 /nfs/dbraw/zinc/92/24/91/438922491.db2.gz PUQQRYGNZRUSPY-UHFFFAOYSA-N 1 2 346.435 0.406 20 30 ECEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2cc(C#N)cnn2)CC1 ZINC000596071739 438923143 /nfs/dbraw/zinc/92/31/43/438923143.db2.gz VJHYEGIBRDOQMV-AWEZNQCLSA-N 1 2 328.420 0.871 20 30 ECEDLO C=CCNC(=O)CN1CCN(C(=O)NCc2c[nH+]c(C)cc2C)CC1 ZINC000459072382 438941459 /nfs/dbraw/zinc/94/14/59/438941459.db2.gz IJFBANXOABLNMQ-UHFFFAOYSA-N 1 2 345.447 0.828 20 30 ECEDLO CN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCC[C@@H]1C#N ZINC000601810681 438975685 /nfs/dbraw/zinc/97/56/85/438975685.db2.gz ORJSGENKAGIZCJ-OAGGEKHMSA-N 1 2 348.447 0.318 20 30 ECEDLO CCCCNC(=O)Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000579047749 438976768 /nfs/dbraw/zinc/97/67/68/438976768.db2.gz IJDFVYHVVMILQE-UHFFFAOYSA-N 1 2 332.404 0.468 20 30 ECEDLO N#CC1(CC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)CCOCC1 ZINC000596661905 438985266 /nfs/dbraw/zinc/98/52/66/438985266.db2.gz DJWRVJFTOYHIHQ-UHFFFAOYSA-N 1 2 348.447 0.463 20 30 ECEDLO CN(CCC#N)C[C@H](O)C[NH2+]Cc1nn(C)cc1Br ZINC000579464931 439011863 /nfs/dbraw/zinc/01/18/63/439011863.db2.gz AQMBDUVSPUXDSZ-SNVBAGLBSA-N 1 2 330.230 0.479 20 30 ECEDLO Cn1cc(Br)c(CNC[C@@H](O)C[N@H+](C)CCC#N)n1 ZINC000579464931 439011868 /nfs/dbraw/zinc/01/18/68/439011868.db2.gz AQMBDUVSPUXDSZ-SNVBAGLBSA-N 1 2 330.230 0.479 20 30 ECEDLO Cn1cc(Br)c(CNC[C@@H](O)C[N@@H+](C)CCC#N)n1 ZINC000579464931 439011872 /nfs/dbraw/zinc/01/18/72/439011872.db2.gz AQMBDUVSPUXDSZ-SNVBAGLBSA-N 1 2 330.230 0.479 20 30 ECEDLO CCOC(=O)C1(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)CCOCC1 ZINC000602335021 439067016 /nfs/dbraw/zinc/06/70/16/439067016.db2.gz SYOCCGZAQWRPNR-HNNXBMFYSA-N 1 2 325.409 0.696 20 30 ECEDLO Cc1n[nH]cc1C[N@@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000602944552 439166989 /nfs/dbraw/zinc/16/69/89/439166989.db2.gz UGTGEUXTYRNRJN-MRXNPFEDSA-N 1 2 332.452 0.842 20 30 ECEDLO Cc1n[nH]cc1C[N@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000602944552 439166993 /nfs/dbraw/zinc/16/69/93/439166993.db2.gz UGTGEUXTYRNRJN-MRXNPFEDSA-N 1 2 332.452 0.842 20 30 ECEDLO CO[C@@H]1C[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)[C@@](C)(CO)C1 ZINC000602961228 439169893 /nfs/dbraw/zinc/16/98/93/439169893.db2.gz AUJYSSRFMBSYQL-GOEBONIOSA-N 1 2 338.429 0.804 20 30 ECEDLO CO[C@@H]1C[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)[C@@](C)(CO)C1 ZINC000602961228 439169896 /nfs/dbraw/zinc/16/98/96/439169896.db2.gz AUJYSSRFMBSYQL-GOEBONIOSA-N 1 2 338.429 0.804 20 30 ECEDLO CCC[N@H+](Cc1cnc2c(C#N)cnn2c1)[C@H]1CC(=O)N(C)C1=O ZINC000580834443 439137407 /nfs/dbraw/zinc/13/74/07/439137407.db2.gz FAZXWFGMTPMDNX-ZDUSSCGKSA-N 1 2 326.360 0.570 20 30 ECEDLO CCC[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@H]1CC(=O)N(C)C1=O ZINC000580834443 439137412 /nfs/dbraw/zinc/13/74/12/439137412.db2.gz FAZXWFGMTPMDNX-ZDUSSCGKSA-N 1 2 326.360 0.570 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2nnc3n2CCC3)cc1 ZINC000567464354 439143283 /nfs/dbraw/zinc/14/32/83/439143283.db2.gz PCPWOWQYMNVZFR-UHFFFAOYSA-N 1 2 331.401 0.659 20 30 ECEDLO CCN(CC(=O)NC(C)C)C(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602856969 439144282 /nfs/dbraw/zinc/14/42/82/439144282.db2.gz NIKWFEZBJQGGED-HUUCEWRRSA-N 1 2 337.468 0.278 20 30 ECEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000602862820 439147695 /nfs/dbraw/zinc/14/76/95/439147695.db2.gz KCGREQXFCJZYGR-HZSPNIEDSA-N 1 2 343.449 0.073 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2nnc(C)n2C)CC1 ZINC000602945495 439166181 /nfs/dbraw/zinc/16/61/81/439166181.db2.gz WWLVQCIKZXXNRS-CYBMUJFWSA-N 1 2 333.440 0.254 20 30 ECEDLO C[N@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602982067 439175302 /nfs/dbraw/zinc/17/53/02/439175302.db2.gz MWVSCSUXQMIKAD-TZMCWYRMSA-N 1 2 342.465 0.151 20 30 ECEDLO C[N@@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602982067 439175306 /nfs/dbraw/zinc/17/53/06/439175306.db2.gz MWVSCSUXQMIKAD-TZMCWYRMSA-N 1 2 342.465 0.151 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597865057 439196260 /nfs/dbraw/zinc/19/62/60/439196260.db2.gz QTSVWYHRSHEZEX-LLVKDONJSA-N 1 2 347.400 0.607 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597865057 439196265 /nfs/dbraw/zinc/19/62/65/439196265.db2.gz QTSVWYHRSHEZEX-LLVKDONJSA-N 1 2 347.400 0.607 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000567995626 439202828 /nfs/dbraw/zinc/20/28/28/439202828.db2.gz QJLVGMACHULCAU-KDOFPFPSSA-N 1 2 342.399 0.465 20 30 ECEDLO Cc1nnnn1-c1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c(F)c1 ZINC000581432598 439210685 /nfs/dbraw/zinc/21/06/85/439210685.db2.gz DEINDZKOXHMKLG-OAHLLOKOSA-N 1 2 331.355 0.684 20 30 ECEDLO N#CC1(NC(=O)C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)CCC1 ZINC000526136115 439242631 /nfs/dbraw/zinc/24/26/31/439242631.db2.gz KYQKSCRYXMDPEM-CQSZACIVSA-N 1 2 334.420 0.262 20 30 ECEDLO N#CC1(NC(=O)C[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)CCC1 ZINC000526136115 439242632 /nfs/dbraw/zinc/24/26/32/439242632.db2.gz KYQKSCRYXMDPEM-CQSZACIVSA-N 1 2 334.420 0.262 20 30 ECEDLO C[C@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H](CO)O1 ZINC000528477220 439338610 /nfs/dbraw/zinc/33/86/10/439338610.db2.gz WCNJTSBVWBFNIG-KBPBESRZSA-N 1 2 328.368 0.368 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2c(=O)onc2-c2cccs2)CC1 ZINC000490923020 439314308 /nfs/dbraw/zinc/31/43/08/439314308.db2.gz ICQGTVHPZQEBBU-UHFFFAOYSA-N 1 2 332.385 0.342 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000491125207 439334023 /nfs/dbraw/zinc/33/40/23/439334023.db2.gz BLYPXDKRIXFILZ-MRXNPFEDSA-N 1 2 348.491 0.533 20 30 ECEDLO O=C1CC[C@@H]2C[N@H+](CC#CCN3C(=O)c4ccccc4C3=O)CCN12 ZINC000528432315 439336426 /nfs/dbraw/zinc/33/64/26/439336426.db2.gz PJEBJLIARDEBHR-CQSZACIVSA-N 1 2 337.379 0.593 20 30 ECEDLO O=C1CC[C@@H]2C[N@@H+](CC#CCN3C(=O)c4ccccc4C3=O)CCN12 ZINC000528432315 439336429 /nfs/dbraw/zinc/33/64/29/439336429.db2.gz PJEBJLIARDEBHR-CQSZACIVSA-N 1 2 337.379 0.593 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CON=C(N)c2cccc(OC)c2)CC1 ZINC000490761782 439296256 /nfs/dbraw/zinc/29/62/56/439296256.db2.gz BOPVFNSIHAXSBS-UHFFFAOYSA-N 1 2 330.388 0.319 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CON=CC(=O)Nc2cccc(F)c2)CC1 ZINC000490760278 439296965 /nfs/dbraw/zinc/29/69/65/439296965.db2.gz KLAFRGARLDSOSE-UHFFFAOYSA-N 1 2 346.362 0.544 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(Cl)ccc2C(N)=O)CC1 ZINC000490779470 439298054 /nfs/dbraw/zinc/29/80/54/439298054.db2.gz WUJBXNWBBXMUMW-UHFFFAOYSA-N 1 2 334.807 0.628 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2cc(C)sc2C(=O)OC)CC1 ZINC000490800984 439299534 /nfs/dbraw/zinc/29/95/34/439299534.db2.gz ZNAQKZYNTCXJPF-UHFFFAOYSA-N 1 2 336.413 0.999 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(C)Cc2cc(C(=O)OC)c(C)o2)CC1 ZINC000490841113 439303299 /nfs/dbraw/zinc/30/32/99/439303299.db2.gz RUHUSVMMYVERIU-UHFFFAOYSA-N 1 2 347.415 0.584 20 30 ECEDLO C[C@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H](CO)O1 ZINC000528477220 439338608 /nfs/dbraw/zinc/33/86/08/439338608.db2.gz WCNJTSBVWBFNIG-KBPBESRZSA-N 1 2 328.368 0.368 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)CC1 ZINC000490917540 439311518 /nfs/dbraw/zinc/31/15/18/439311518.db2.gz YPTVZTXARDPKJM-OAHLLOKOSA-N 1 2 330.436 0.070 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)CC1 ZINC000490917540 439311522 /nfs/dbraw/zinc/31/15/22/439311522.db2.gz YPTVZTXARDPKJM-OAHLLOKOSA-N 1 2 330.436 0.070 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)CC1 ZINC000490917540 439311527 /nfs/dbraw/zinc/31/15/27/439311527.db2.gz YPTVZTXARDPKJM-OAHLLOKOSA-N 1 2 330.436 0.070 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)CC1 ZINC000490917540 439311533 /nfs/dbraw/zinc/31/15/33/439311533.db2.gz YPTVZTXARDPKJM-OAHLLOKOSA-N 1 2 330.436 0.070 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](CC(=O)NCC(=O)c2ccccc2)CC1 ZINC000491200829 439345531 /nfs/dbraw/zinc/34/55/31/439345531.db2.gz CRPKKEJUYZXOAB-UHFFFAOYSA-N 1 2 341.411 0.447 20 30 ECEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000528634026 439356031 /nfs/dbraw/zinc/35/60/31/439356031.db2.gz JZLRSKJZBLHJGC-QGJIUJSSSA-N 1 2 336.436 0.226 20 30 ECEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000528634026 439356039 /nfs/dbraw/zinc/35/60/39/439356039.db2.gz JZLRSKJZBLHJGC-QGJIUJSSSA-N 1 2 336.436 0.226 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)nn1 ZINC000570390023 439415470 /nfs/dbraw/zinc/41/54/70/439415470.db2.gz ITHFVDLGWRNGCT-UHFFFAOYSA-N 1 2 329.408 0.546 20 30 ECEDLO C#CCN(C)C(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000491706728 439430572 /nfs/dbraw/zinc/43/05/72/439430572.db2.gz MHXFWCMIIJLBDV-UHFFFAOYSA-N 1 2 329.400 0.301 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1F ZINC000593653444 439437767 /nfs/dbraw/zinc/43/77/67/439437767.db2.gz XMTHJFLIRKBPFK-GFCCVEGCSA-N 1 2 325.365 0.137 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1F ZINC000593653444 439437771 /nfs/dbraw/zinc/43/77/71/439437771.db2.gz XMTHJFLIRKBPFK-GFCCVEGCSA-N 1 2 325.365 0.137 20 30 ECEDLO N#CCCN1CC[NH+](CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000599336603 439439411 /nfs/dbraw/zinc/43/94/11/439439411.db2.gz LHDNZXWTGNNOQF-UHFFFAOYSA-N 1 2 336.395 0.817 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCO[C@@H]2CC)CC1 ZINC000491755100 439444124 /nfs/dbraw/zinc/44/41/24/439444124.db2.gz XVPVMTMCDXRXDR-JKSUJKDBSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCO[C@@H]2CC)CC1 ZINC000491755100 439444128 /nfs/dbraw/zinc/44/41/28/439444128.db2.gz XVPVMTMCDXRXDR-JKSUJKDBSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2nnc3c(Cl)cccc3c2=O)CC1 ZINC000491774295 439446792 /nfs/dbraw/zinc/44/67/92/439446792.db2.gz UAZGTNDAXQBLOE-UHFFFAOYSA-N 1 2 345.790 0.222 20 30 ECEDLO N#Cc1ccc(/C=C/C(=O)NCC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000491793618 439451402 /nfs/dbraw/zinc/45/14/02/439451402.db2.gz IVIKHWZSNGJTHE-AATRIKPKSA-N 1 2 342.399 0.136 20 30 ECEDLO C#CCNS(=O)(=O)c1cccc(C(=O)NCc2c[nH+]cn2C)c1 ZINC000491789577 439452131 /nfs/dbraw/zinc/45/21/31/439452131.db2.gz ZCOSHZXUATZIRE-UHFFFAOYSA-N 1 2 332.385 0.262 20 30 ECEDLO Cn1nccc1[C@@H]1c2[nH]c[nH+]c2CCN1CC(=O)NC1(C#N)CCC1 ZINC000599445166 439472173 /nfs/dbraw/zinc/47/21/73/439472173.db2.gz LEDHRUTYFOQULD-MRXNPFEDSA-N 1 2 339.403 0.653 20 30 ECEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCO[C@H](CC(N)=O)C3)C2=O)cc1 ZINC000599664010 439531071 /nfs/dbraw/zinc/53/10/71/439531071.db2.gz KOLNPBXDOVZYKA-CVEARBPZSA-N 1 2 342.399 0.630 20 30 ECEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCO[C@H](CC(N)=O)C3)C2=O)cc1 ZINC000599664010 439531080 /nfs/dbraw/zinc/53/10/80/439531080.db2.gz KOLNPBXDOVZYKA-CVEARBPZSA-N 1 2 342.399 0.630 20 30 ECEDLO COC(=O)c1cncc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000536554814 439538333 /nfs/dbraw/zinc/53/83/33/439538333.db2.gz IDIHRJRRKJOITO-UHFFFAOYSA-N 1 2 346.387 0.556 20 30 ECEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Nc2cccc(C#N)n2)CC1 ZINC000571917764 439543036 /nfs/dbraw/zinc/54/30/36/439543036.db2.gz JZRHCRMSNUDBIW-GFCCVEGCSA-N 1 2 342.403 0.770 20 30 ECEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000540966518 439550275 /nfs/dbraw/zinc/55/02/75/439550275.db2.gz UAVVFQOVKBGYQZ-LLVKDONJSA-N 1 2 330.396 0.723 20 30 ECEDLO COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1 ZINC000572080048 439553917 /nfs/dbraw/zinc/55/39/17/439553917.db2.gz FDOIVYLJMXVSEY-CYBMUJFWSA-N 1 2 343.449 0.579 20 30 ECEDLO CC1CC(C#N)(C(=O)N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1 ZINC000542174460 439555682 /nfs/dbraw/zinc/55/56/82/439555682.db2.gz NETYKIDXLPLGIV-UIORMTCPSA-N 1 2 329.404 0.967 20 30 ECEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CCOC[C@H]2CCCO2)c1=O ZINC000571538722 439511690 /nfs/dbraw/zinc/51/16/90/439511690.db2.gz TVKHTMFLFWLLFK-QGZVFWFLSA-N 1 2 347.415 0.748 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccccc2CC#N)[C@@H](C)C1 ZINC000585708405 439644199 /nfs/dbraw/zinc/64/41/99/439644199.db2.gz SGUSCCGKFMLMAC-UONOGXRCSA-N 1 2 337.445 0.828 20 30 ECEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccccc2CC#N)[C@@H](C)C1 ZINC000585708405 439644202 /nfs/dbraw/zinc/64/42/02/439644202.db2.gz SGUSCCGKFMLMAC-UONOGXRCSA-N 1 2 337.445 0.828 20 30 ECEDLO N#Cc1ccc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c(F)c1 ZINC000595150402 439661898 /nfs/dbraw/zinc/66/18/98/439661898.db2.gz FZHLSBOTDIABPF-ZDUSSCGKSA-N 1 2 346.362 0.569 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)nn2)CC1 ZINC000611240737 439683445 /nfs/dbraw/zinc/68/34/45/439683445.db2.gz GTABZOXGWSJDKX-ZDUSSCGKSA-N 1 2 332.408 0.011 20 30 ECEDLO CS(=O)(=O)CC1(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC000611243373 439684751 /nfs/dbraw/zinc/68/47/51/439684751.db2.gz JTHRXGHISSPBRF-UHFFFAOYSA-N 1 2 334.445 0.900 20 30 ECEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000611302689 439688131 /nfs/dbraw/zinc/68/81/31/439688131.db2.gz YLOXXBJIWKARPF-CYBMUJFWSA-N 1 2 325.409 0.791 20 30 ECEDLO CN(CCC#N)C(=O)CC[N@H+]1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000611302689 439688136 /nfs/dbraw/zinc/68/81/36/439688136.db2.gz YLOXXBJIWKARPF-CYBMUJFWSA-N 1 2 325.409 0.791 20 30 ECEDLO N#C[C@H]1CCC[C@@H]1NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000613163112 439751582 /nfs/dbraw/zinc/75/15/82/439751582.db2.gz HODCNYRDQSLHJY-CABCVRRESA-N 1 2 333.436 0.628 20 30 ECEDLO COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000613350245 439755411 /nfs/dbraw/zinc/75/54/11/439755411.db2.gz RYGSRTZDCUCZOI-SMDDNHRTSA-N 1 2 339.417 0.564 20 30 ECEDLO COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000613350245 439755412 /nfs/dbraw/zinc/75/54/12/439755412.db2.gz RYGSRTZDCUCZOI-SMDDNHRTSA-N 1 2 339.417 0.564 20 30 ECEDLO C=CCNC(=O)CN1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651039375 440732890 /nfs/dbraw/zinc/73/28/90/440732890.db2.gz FZDMGDGMENYQCH-UHFFFAOYSA-N 1 2 345.447 0.208 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000661881522 440928115 /nfs/dbraw/zinc/92/81/15/440928115.db2.gz RZBMRCHNEAEKTD-HZSPNIEDSA-N 1 2 330.450 0.155 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000661881522 440928120 /nfs/dbraw/zinc/92/81/20/440928120.db2.gz RZBMRCHNEAEKTD-HZSPNIEDSA-N 1 2 330.450 0.155 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CCN2C(=O)NC3(CCCC3)C2=O)nn1 ZINC000641057624 441053562 /nfs/dbraw/zinc/05/35/62/441053562.db2.gz SYIDOVSLOIWJCW-UHFFFAOYSA-N 1 2 330.392 0.256 20 30 ECEDLO CC[C@H](C(=O)OC)N1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000563149098 322301217 /nfs/dbraw/zinc/30/12/17/322301217.db2.gz FDBIUNUFQVUCIG-OAHLLOKOSA-N 1 2 342.403 0.670 20 30 ECEDLO CC(C)[C@H](C)NC(=O)Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000570740009 322698374 /nfs/dbraw/zinc/69/83/74/322698374.db2.gz HETYLLGKVHAPFT-AWEZNQCLSA-N 1 2 346.431 0.713 20 30 ECEDLO CC[C@@H](C)NC(=O)Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000573904235 322769823 /nfs/dbraw/zinc/76/98/23/322769823.db2.gz VCQVQXVLNGKBGX-CYBMUJFWSA-N 1 2 332.404 0.467 20 30 ECEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ncncc2C#N)CC1 ZINC000573958284 322770819 /nfs/dbraw/zinc/77/08/19/322770819.db2.gz APPLNRCMQJINLK-ZDUSSCGKSA-N 1 2 328.420 0.918 20 30 ECEDLO Cc1cc(=O)c(C(=O)NC[C@H](O)C[NH+]2CCOCC2)cn1C1CC1 ZINC000328795239 546006726 /nfs/dbraw/zinc/00/67/26/546006726.db2.gz TVUFARVQTFYHIC-AWEZNQCLSA-N 1 2 335.404 0.489 20 30 ECEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CN2CSCC2=O)CC1 ZINC000328839995 546007945 /nfs/dbraw/zinc/00/79/45/546007945.db2.gz OONKSHJVXJYHFT-NSHDSACASA-N 1 2 340.449 0.171 20 30 ECEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)Nc2cccc(N3CCNC3=O)c2)C1 ZINC000329205778 546016839 /nfs/dbraw/zinc/01/68/39/546016839.db2.gz DNTSGTYIHCGASF-HNNXBMFYSA-N 1 2 346.435 0.992 20 30 ECEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)Nc2cccc(N3CCNC3=O)c2)C1 ZINC000329205778 546016842 /nfs/dbraw/zinc/01/68/42/546016842.db2.gz DNTSGTYIHCGASF-HNNXBMFYSA-N 1 2 346.435 0.992 20 30 ECEDLO Cc1noc([C@@H](C)NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)n1 ZINC000329576631 546027506 /nfs/dbraw/zinc/02/75/06/546027506.db2.gz SJGQCMKFLPCFHN-LLVKDONJSA-N 1 2 349.395 0.994 20 30 ECEDLO CS(=O)(=O)N1CCC[C@H](NC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000329853576 546035657 /nfs/dbraw/zinc/03/56/57/546035657.db2.gz SDBKPRPDSCFBKM-NSHDSACASA-N 1 2 327.410 0.037 20 30 ECEDLO Cc1noc([C@H]2C[C@@H](O)CN2C(=O)NC[C@@H](C)[NH+]2CCOCC2)n1 ZINC000329921968 546036018 /nfs/dbraw/zinc/03/60/18/546036018.db2.gz GARFNHRDNLNMEZ-RAIGVLPGSA-N 1 2 339.396 0.120 20 30 ECEDLO CN1C(=O)CC[C@@H]1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000329994902 546037391 /nfs/dbraw/zinc/03/73/91/546037391.db2.gz MQHPMNPMJKAZDX-CYBMUJFWSA-N 1 2 332.408 0.176 20 30 ECEDLO C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)CC(=O)NC1CC1 ZINC000625065283 547015536 /nfs/dbraw/zinc/01/55/36/547015536.db2.gz KHZSEXXHIOOMML-UHFFFAOYSA-N 1 2 325.368 0.496 20 30 ECEDLO C[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)CC(=O)NC1CC1 ZINC000625065283 547015540 /nfs/dbraw/zinc/01/55/40/547015540.db2.gz KHZSEXXHIOOMML-UHFFFAOYSA-N 1 2 325.368 0.496 20 30 ECEDLO COCC[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)[C@@H](C)C(N)=O ZINC000625149787 547032109 /nfs/dbraw/zinc/03/21/09/547032109.db2.gz LRNWTPODKGXMRA-ZDUSSCGKSA-N 1 2 343.383 0.108 20 30 ECEDLO COCC[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)[C@@H](C)C(N)=O ZINC000625149787 547032112 /nfs/dbraw/zinc/03/21/12/547032112.db2.gz LRNWTPODKGXMRA-ZDUSSCGKSA-N 1 2 343.383 0.108 20 30 ECEDLO COCC[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)[C@H](C)C(N)=O ZINC000625149783 547032920 /nfs/dbraw/zinc/03/29/20/547032920.db2.gz LRNWTPODKGXMRA-CYBMUJFWSA-N 1 2 343.383 0.108 20 30 ECEDLO COCC[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)[C@H](C)C(N)=O ZINC000625149783 547032922 /nfs/dbraw/zinc/03/29/22/547032922.db2.gz LRNWTPODKGXMRA-CYBMUJFWSA-N 1 2 343.383 0.108 20 30 ECEDLO NS(=O)(=O)NC1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000626034777 547273185 /nfs/dbraw/zinc/27/31/85/547273185.db2.gz ORIAAPNXNSZPCL-UHFFFAOYSA-N 1 2 327.837 0.949 20 30 ECEDLO NS(=O)(=O)NC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000626035354 547274981 /nfs/dbraw/zinc/27/49/81/547274981.db2.gz LTYGZPPFUQFIOG-UHFFFAOYSA-N 1 2 327.837 0.949 20 30 ECEDLO C=C[C@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000675003687 548705049 /nfs/dbraw/zinc/70/50/49/548705049.db2.gz IISAZHYYISVRKG-ZDUSSCGKSA-N 1 2 344.415 0.703 20 30 ECEDLO COCC#CC[NH+]1CCN(CCNC(=O)c2ccc(OC)cc2)CC1 ZINC000677818532 548958661 /nfs/dbraw/zinc/95/86/61/548958661.db2.gz BEZQQOHTTLZJEI-UHFFFAOYSA-N 1 2 345.443 0.692 20 30 ECEDLO COCC#CCN1CC[NH+](CCNC(=O)c2ccc(OC)cc2)CC1 ZINC000677818532 548958663 /nfs/dbraw/zinc/95/86/63/548958663.db2.gz BEZQQOHTTLZJEI-UHFFFAOYSA-N 1 2 345.443 0.692 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000748540577 579326222 /nfs/dbraw/zinc/32/62/22/579326222.db2.gz HQONYRYRHZJEKI-UHFFFAOYSA-N 1 2 337.420 0.400 20 30 ECEDLO N#CCOc1ccccc1C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000749397672 579337892 /nfs/dbraw/zinc/33/78/92/579337892.db2.gz RKCZPWXDDVGUQN-UHFFFAOYSA-N 1 2 340.387 0.638 20 30 ECEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000749789165 579343155 /nfs/dbraw/zinc/34/31/55/579343155.db2.gz MNEOMYFQXPMARQ-LBPRGKRZSA-N 1 2 348.403 0.411 20 30 ECEDLO COC(=O)[C@H](c1ccc(C#N)cc1)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000750826791 579359092 /nfs/dbraw/zinc/35/90/92/579359092.db2.gz DSDWEGKLURQEDX-HNNXBMFYSA-N 1 2 344.415 0.654 20 30 ECEDLO COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000755953509 579442406 /nfs/dbraw/zinc/44/24/06/579442406.db2.gz AGWKGXYBHZTHAT-GYCJOSAFSA-N 1 2 349.456 0.768 20 30 ECEDLO C#CCOCCC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000755963335 579442716 /nfs/dbraw/zinc/44/27/16/579442716.db2.gz ZELCYWNPJRWFGU-AWEZNQCLSA-N 1 2 339.436 0.694 20 30 ECEDLO C#CCOCCC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000755963335 579442717 /nfs/dbraw/zinc/44/27/17/579442717.db2.gz ZELCYWNPJRWFGU-AWEZNQCLSA-N 1 2 339.436 0.694 20 30 ECEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1C#N ZINC000725895430 578134905 /nfs/dbraw/zinc/13/49/05/578134905.db2.gz HQTATEPZCWYLNT-RYUDHWBXSA-N 1 2 348.428 0.974 20 30 ECEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1C#N ZINC000725895430 578134906 /nfs/dbraw/zinc/13/49/06/578134906.db2.gz HQTATEPZCWYLNT-RYUDHWBXSA-N 1 2 348.428 0.974 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(-c3nc(C)no3)cn2)CC1 ZINC000727757637 578284436 /nfs/dbraw/zinc/28/44/36/578284436.db2.gz NZIWOYJMGDETQB-UHFFFAOYSA-N 1 2 342.403 0.864 20 30 ECEDLO C#Cc1ccc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)nc1 ZINC000728865533 578291539 /nfs/dbraw/zinc/29/15/39/578291539.db2.gz BLBDDLNKDDXXLS-UHFFFAOYSA-N 1 2 325.372 0.844 20 30 ECEDLO CN(CC[NH+]1CCOCC1)C(=O)NCCNc1ccc(C#N)cn1 ZINC000729592290 578297171 /nfs/dbraw/zinc/29/71/71/578297171.db2.gz ISGXVQNFDVQQRV-UHFFFAOYSA-N 1 2 332.408 0.339 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732812870 578330010 /nfs/dbraw/zinc/33/00/10/578330010.db2.gz IAXUATYRJCEFBY-WDEREUQCSA-N 1 2 334.342 0.842 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732812870 578330011 /nfs/dbraw/zinc/33/00/11/578330011.db2.gz IAXUATYRJCEFBY-WDEREUQCSA-N 1 2 334.342 0.842 20 30 ECEDLO C#CCCNC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000733346994 578336616 /nfs/dbraw/zinc/33/66/16/578336616.db2.gz KUBYJKHYTLTOOO-UHFFFAOYSA-N 1 2 329.404 0.606 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000734551096 578363270 /nfs/dbraw/zinc/36/32/70/578363270.db2.gz HQYNYTKTOXYYSN-AWEZNQCLSA-N 1 2 339.392 0.187 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cc(S(N)(=O)=O)ccc1F ZINC000734551096 578363271 /nfs/dbraw/zinc/36/32/71/578363271.db2.gz HQYNYTKTOXYYSN-AWEZNQCLSA-N 1 2 339.392 0.187 20 30 ECEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)C(C)(C)n1cncn1 ZINC000794470784 578589488 /nfs/dbraw/zinc/58/94/88/578589488.db2.gz XHMGMJPEXVOCEU-UHFFFAOYSA-N 1 2 339.469 0.185 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)CN2C[C@](C)(C(=O)OCC)CC2=O)C1=O ZINC000799144014 578659428 /nfs/dbraw/zinc/65/94/28/578659428.db2.gz WFNJLZAWHQRKFW-CXAGYDPISA-N 1 2 337.420 0.464 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)CN2C[C@](C)(C(=O)OCC)CC2=O)C1=O ZINC000799144014 578659430 /nfs/dbraw/zinc/65/94/30/578659430.db2.gz WFNJLZAWHQRKFW-CXAGYDPISA-N 1 2 337.420 0.464 20 30 ECEDLO N#Cc1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)nc1 ZINC000780647293 578698499 /nfs/dbraw/zinc/69/84/99/578698499.db2.gz BOZQAFHYKACZNY-MRXNPFEDSA-N 1 2 329.404 0.959 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000782266425 578722246 /nfs/dbraw/zinc/72/22/46/578722246.db2.gz KWLZOGVPVWFUIL-ZDUSSCGKSA-N 1 2 331.372 0.552 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000783299184 578741019 /nfs/dbraw/zinc/74/10/19/578741019.db2.gz XDZAYNZKTBVWDP-UHFFFAOYSA-N 1 2 326.422 0.830 20 30 ECEDLO C=CCN(C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C(C)C ZINC000783396150 578741769 /nfs/dbraw/zinc/74/17/69/578741769.db2.gz VDRGCHMVHWIIAX-UHFFFAOYSA-N 1 2 349.435 0.577 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cncc3ccccc32)CC1 ZINC000784223662 578749868 /nfs/dbraw/zinc/74/98/68/578749868.db2.gz RLWQAOYWTTYQAA-UHFFFAOYSA-N 1 2 344.440 0.820 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)NCCc1cn2ccccc2[nH+]1)[C@@H]1CCCO1 ZINC000786145402 578781390 /nfs/dbraw/zinc/78/13/90/578781390.db2.gz SPJNRZCNTBBKJC-GJZGRUSLSA-N 1 2 340.383 0.290 20 30 ECEDLO C#CCCCNC(=O)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000787285168 578803647 /nfs/dbraw/zinc/80/36/47/578803647.db2.gz UCPPRQXPYNMYRW-UHFFFAOYSA-N 1 2 330.388 0.064 20 30 ECEDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)NCCC#N ZINC000787358868 578805590 /nfs/dbraw/zinc/80/55/90/578805590.db2.gz NCTFALGHNSOWBY-CQSZACIVSA-N 1 2 326.360 0.739 20 30 ECEDLO C[C@@H](OC(=O)c1cccc(C#N)c1)C(=O)NCC[NH+]1CCOCC1 ZINC000788111131 578828166 /nfs/dbraw/zinc/82/81/66/578828166.db2.gz YXOHJJDNVUZPRK-CYBMUJFWSA-N 1 2 331.372 0.552 20 30 ECEDLO COCCN(C)c1ccc(C=[NH+]NC(=S)N[C@H](C)COC)cn1 ZINC000790148779 578868846 /nfs/dbraw/zinc/86/88/46/578868846.db2.gz LZSFCTLVPOACBZ-GFCCVEGCSA-N 1 2 339.465 0.997 20 30 ECEDLO C#CCOCCNC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000767860303 579117899 /nfs/dbraw/zinc/11/78/99/579117899.db2.gz YAHBWLIQDBMFDR-UHFFFAOYSA-N 1 2 339.436 0.205 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)COC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000772048185 579199488 /nfs/dbraw/zinc/19/94/88/579199488.db2.gz LWZXTFUIRMBMBD-OLZOCXBDSA-N 1 2 327.450 0.975 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)COC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000772048185 579199490 /nfs/dbraw/zinc/19/94/90/579199490.db2.gz LWZXTFUIRMBMBD-OLZOCXBDSA-N 1 2 327.450 0.975 20 30 ECEDLO C#C[C@H](NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CCCO1 ZINC000775650900 579269583 /nfs/dbraw/zinc/26/95/83/579269583.db2.gz VIJLHGDWTUJPAU-JKSUJKDBSA-N 1 2 347.419 0.518 20 30 ECEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1ccc(OCC#N)cc1 ZINC000779560349 579317710 /nfs/dbraw/zinc/31/77/10/579317710.db2.gz BUHOQXMWBAEMNX-OAHLLOKOSA-N 1 2 342.355 0.686 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)C(=O)OC)cc1 ZINC000779563913 579317966 /nfs/dbraw/zinc/31/79/66/579317966.db2.gz JPKWRIQMPDYHDZ-OAHLLOKOSA-N 1 2 327.340 0.867 20 30 ECEDLO C[S@](=O)CC[NH+]1CCN(C(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000760599875 579513203 /nfs/dbraw/zinc/51/32/03/579513203.db2.gz CYTYOZJXJNDRMH-DEOSSOPVSA-N 1 2 349.456 0.654 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](CCO[C@H]2CCCC[C@@H]2C)CC1 ZINC000761024818 579519650 /nfs/dbraw/zinc/51/96/50/579519650.db2.gz PZJHYLSGEMKYQY-HOTGVXAUSA-N 1 2 343.493 0.667 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(OC)c(C#N)c2)CC1 ZINC000761031301 579519747 /nfs/dbraw/zinc/51/97/47/579519747.db2.gz PVXFKTAOJQTYFC-UHFFFAOYSA-N 1 2 348.428 0.152 20 30 ECEDLO CN(C)S(=O)(=O)N1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000763232132 579557275 /nfs/dbraw/zinc/55/72/75/579557275.db2.gz QWEZPNWUCVHWGQ-HNNXBMFYSA-N 1 2 338.433 0.016 20 30 ECEDLO N#CCCNC(=O)COC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000741333906 579772283 /nfs/dbraw/zinc/77/22/83/579772283.db2.gz LAHLITAVRKBBJP-UHFFFAOYSA-N 1 2 331.372 0.705 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)CCC)CC1 ZINC000744419212 579809320 /nfs/dbraw/zinc/80/93/20/579809320.db2.gz RONKRKBXQLJNHJ-OAHLLOKOSA-N 1 2 341.477 0.358 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000744422906 579809390 /nfs/dbraw/zinc/80/93/90/579809390.db2.gz FGFIZHZVWJOHQA-UHFFFAOYSA-N 1 2 335.429 0.328 20 30 ECEDLO C[S@](=O)CC[NH+]1CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000746474754 579840318 /nfs/dbraw/zinc/84/03/18/579840318.db2.gz OQLRDHAFAQIDBD-DEOSSOPVSA-N 1 2 348.472 0.883 20 30 ECEDLO C[S@](=O)CCN1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000746474754 579840320 /nfs/dbraw/zinc/84/03/20/579840320.db2.gz OQLRDHAFAQIDBD-DEOSSOPVSA-N 1 2 348.472 0.883 20 30 ECEDLO CC(=[NH+]NC(=S)NCC(N)=O)c1ccc(N2CCCC2)cc1O ZINC000748252226 579857446 /nfs/dbraw/zinc/85/74/46/579857446.db2.gz PMPFCXVAANVCGE-UHFFFAOYSA-N 1 2 335.433 0.666 20 30 ECEDLO O=C(C#CC1CC1)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000837424894 588951328 /nfs/dbraw/zinc/95/13/28/588951328.db2.gz FVRFBOGRPQIDNG-QGZVFWFLSA-N 1 2 328.412 0.984 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(COC)c2)C1 ZINC000891606345 586181640 /nfs/dbraw/zinc/18/16/40/586181640.db2.gz GBKUMKZQVZMDGM-INIZCTEOSA-N 1 2 329.400 0.985 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(COC)c2)C1 ZINC000891606345 586181642 /nfs/dbraw/zinc/18/16/42/586181642.db2.gz GBKUMKZQVZMDGM-INIZCTEOSA-N 1 2 329.400 0.985 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC)C1 ZINC000891605356 586181872 /nfs/dbraw/zinc/18/18/72/586181872.db2.gz CXIVLMUJLNWIIP-CQSZACIVSA-N 1 2 340.383 0.719 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC)C1 ZINC000891605356 586181875 /nfs/dbraw/zinc/18/18/75/586181875.db2.gz CXIVLMUJLNWIIP-CQSZACIVSA-N 1 2 340.383 0.719 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2CC(C)(C)CO2)CC1 ZINC000896182106 586225310 /nfs/dbraw/zinc/22/53/10/586225310.db2.gz PJVRDNHOBDAATQ-OAHLLOKOSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2CC(C)(C)CO2)CC1 ZINC000896182106 586225313 /nfs/dbraw/zinc/22/53/13/586225313.db2.gz PJVRDNHOBDAATQ-OAHLLOKOSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CCNC(=O)CN1CCN(c2cc(C)[nH+]c(C3CCC3)n2)CC1 ZINC000892323294 586248953 /nfs/dbraw/zinc/24/89/53/586248953.db2.gz YGSNXEJSGRAFBI-UHFFFAOYSA-N 1 2 327.432 0.924 20 30 ECEDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NCc2cc(C#N)ccc2F)C1 ZINC000866883319 586310663 /nfs/dbraw/zinc/31/06/63/586310663.db2.gz PHNRAVFLMQZQOW-ZDUSSCGKSA-N 1 2 327.381 0.447 20 30 ECEDLO C[N@H+]1CCO[C@H](CS(=O)(=O)NCc2cc(C#N)ccc2F)C1 ZINC000866883319 586310665 /nfs/dbraw/zinc/31/06/65/586310665.db2.gz PHNRAVFLMQZQOW-ZDUSSCGKSA-N 1 2 327.381 0.447 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)O[C@@H]1C[N@H+](C)[C@](C)(C(=O)OC)C1 ZINC000893575044 586341342 /nfs/dbraw/zinc/34/13/42/586341342.db2.gz MFCWUIPCYSPLKK-XEZPLFJOSA-N 1 2 326.393 0.636 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)O[C@@H]1C[N@@H+](C)[C@](C)(C(=O)OC)C1 ZINC000893575044 586341345 /nfs/dbraw/zinc/34/13/45/586341345.db2.gz MFCWUIPCYSPLKK-XEZPLFJOSA-N 1 2 326.393 0.636 20 30 ECEDLO C#CCn1ccc(CN(CCOC)C(=O)NCc2cn(C)c[nH+]2)n1 ZINC000898622879 586439094 /nfs/dbraw/zinc/43/90/94/586439094.db2.gz WZNJZEKLENSXMH-UHFFFAOYSA-N 1 2 330.392 0.608 20 30 ECEDLO C#CC[C@H]1CCCN(C(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000843252134 589056573 /nfs/dbraw/zinc/05/65/73/589056573.db2.gz UKBKHJLBKDDRKU-HOTGVXAUSA-N 1 2 335.448 0.427 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccn2nccc2n1 ZINC000900457577 586632621 /nfs/dbraw/zinc/63/26/21/586632621.db2.gz YZTZKAZAPLXZFB-UHFFFAOYSA-N 1 2 328.376 0.417 20 30 ECEDLO N#Cc1ncn(CCNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000805003295 586871330 /nfs/dbraw/zinc/87/13/30/586871330.db2.gz OBJKLMXGXUETES-UHFFFAOYSA-N 1 2 336.359 0.835 20 30 ECEDLO COc1ccc(-n2cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nn2)cc1 ZINC000905497360 586898312 /nfs/dbraw/zinc/89/83/12/586898312.db2.gz YMKZRSVCNATUTI-INIZCTEOSA-N 1 2 328.376 0.850 20 30 ECEDLO C#CC[N@@H+](CC1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000800355159 586964227 /nfs/dbraw/zinc/96/42/27/586964227.db2.gz ALCUFRBDDWCXFN-AWEZNQCLSA-N 1 2 342.461 0.976 20 30 ECEDLO C#CC[N@H+](CC1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000800355159 586964229 /nfs/dbraw/zinc/96/42/29/586964229.db2.gz ALCUFRBDDWCXFN-AWEZNQCLSA-N 1 2 342.461 0.976 20 30 ECEDLO C#Cc1ccc(S(=O)(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)cc1 ZINC000906931378 586995440 /nfs/dbraw/zinc/99/54/40/586995440.db2.gz JXIBYDZXSRBOTH-UHFFFAOYSA-N 1 2 349.456 0.499 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](CC[C@H]3CCS(=O)(=O)C3)CC2)cn1 ZINC000801553243 586998981 /nfs/dbraw/zinc/99/89/81/586998981.db2.gz QUVXHRCZDCFAIZ-AWEZNQCLSA-N 1 2 334.445 0.900 20 30 ECEDLO C=CCN1CCN(CN2CC[NH+](CC(=O)N3CCCCC3)CC2)C1=O ZINC000839954687 587010380 /nfs/dbraw/zinc/01/03/80/587010380.db2.gz DXJBGYVKDCKOGJ-UHFFFAOYSA-N 1 2 349.479 0.498 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3cccnc3)n2CCOC)CC1 ZINC000802340664 587016807 /nfs/dbraw/zinc/01/68/07/587016807.db2.gz QJOSXXSOTNCPPZ-UHFFFAOYSA-N 1 2 326.404 0.742 20 30 ECEDLO CCO[C@H]1CC(=NNC(=S)NCC[NH+]2CCOCC2)[C@H]1SC ZINC000807947261 587140267 /nfs/dbraw/zinc/14/02/67/587140267.db2.gz NDWSIKTWBHIWKM-QWHCGFSZSA-N 1 2 346.522 0.679 20 30 ECEDLO C#C[C@@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(C)(C)C ZINC000808268229 587151331 /nfs/dbraw/zinc/15/13/31/587151331.db2.gz GTSGTWWYSXRCGE-CQSZACIVSA-N 1 2 343.493 0.843 20 30 ECEDLO C#CC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000844002393 589088169 /nfs/dbraw/zinc/08/81/69/589088169.db2.gz WIEGFGJEOSXGDG-IAGOWNOFSA-N 1 2 347.459 0.429 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCO1 ZINC000809312517 587174808 /nfs/dbraw/zinc/17/48/08/587174808.db2.gz NQVOSPQCGHKVAM-GJZGRUSLSA-N 1 2 342.399 0.027 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)CC2(C(=O)OC)CCC2)CC1 ZINC000812495005 587238391 /nfs/dbraw/zinc/23/83/91/587238391.db2.gz ZWLPQZCMVRNEHQ-UHFFFAOYSA-N 1 2 328.434 0.300 20 30 ECEDLO CCC(CC)[C@H](C(=O)N[C@@H]1CCCN(O)C1=O)[NH+]1CCOCC1 ZINC000816757566 587324049 /nfs/dbraw/zinc/32/40/49/587324049.db2.gz VPYQDBUPKJUXQN-ZIAGYGMSSA-N 1 2 327.425 0.620 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@H]3CCC(=O)N3)CC2)cc1 ZINC000816805647 587325265 /nfs/dbraw/zinc/32/52/65/587325265.db2.gz CUAHFIPYBSTKDK-MRXNPFEDSA-N 1 2 326.400 0.871 20 30 ECEDLO CN(C(=O)[C@](C)(C#N)CC(=O)[O-])[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000820620991 587545105 /nfs/dbraw/zinc/54/51/05/587545105.db2.gz ZTMVRZRAPQLLCJ-YOEHRIQHSA-N 1 2 336.436 0.618 20 30 ECEDLO CN(C(=O)[C@](C)(C#N)CC(=O)[O-])[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000820620991 587545106 /nfs/dbraw/zinc/54/51/06/587545106.db2.gz ZTMVRZRAPQLLCJ-YOEHRIQHSA-N 1 2 336.436 0.618 20 30 ECEDLO C#CC(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000823837735 587745271 /nfs/dbraw/zinc/74/52/71/587745271.db2.gz GMHZSSRUWYWYLV-UHFFFAOYSA-N 1 2 333.355 0.697 20 30 ECEDLO N#CC[C@]1(O)CCN(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000826051985 587985338 /nfs/dbraw/zinc/98/53/38/587985338.db2.gz KPJUZUVKIGOEOQ-INIZCTEOSA-N 1 2 326.360 0.827 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000826381736 588036408 /nfs/dbraw/zinc/03/64/08/588036408.db2.gz XBGLMVKONGWEMP-UHFFFAOYSA-N 1 2 341.419 0.915 20 30 ECEDLO COc1cc(C#N)ccc1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000826943649 588090956 /nfs/dbraw/zinc/09/09/56/588090956.db2.gz ZBNGTWPEYQJIFZ-UHFFFAOYSA-N 1 2 331.372 0.745 20 30 ECEDLO COc1cc(C#N)ccc1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000826943649 588090957 /nfs/dbraw/zinc/09/09/57/588090957.db2.gz ZBNGTWPEYQJIFZ-UHFFFAOYSA-N 1 2 331.372 0.745 20 30 ECEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000829514359 588328014 /nfs/dbraw/zinc/32/80/14/588328014.db2.gz XVDCQPCTXTTYCC-INIZCTEOSA-N 1 2 328.416 0.598 20 30 ECEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000829514359 588328016 /nfs/dbraw/zinc/32/80/16/588328016.db2.gz XVDCQPCTXTTYCC-INIZCTEOSA-N 1 2 328.416 0.598 20 30 ECEDLO C#CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000829769679 588340761 /nfs/dbraw/zinc/34/07/61/588340761.db2.gz ZGPWLUALGNEQOS-RBSFLKMASA-N 1 2 326.462 0.756 20 30 ECEDLO C#CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000829769679 588340763 /nfs/dbraw/zinc/34/07/63/588340763.db2.gz ZGPWLUALGNEQOS-RBSFLKMASA-N 1 2 326.462 0.756 20 30 ECEDLO COC(=O)C1(C#N)CC[NH+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000831691507 588441959 /nfs/dbraw/zinc/44/19/59/588441959.db2.gz PEIRKBOHEPJEFW-HUUCEWRRSA-N 1 2 349.431 0.935 20 30 ECEDLO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCn3cc[nH+]c32)cc1 ZINC000833305685 588534270 /nfs/dbraw/zinc/53/42/70/588534270.db2.gz VRLPJCFMKWTGGW-AWEZNQCLSA-N 1 2 344.396 0.669 20 30 ECEDLO COCCOCC[NH+]1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000846617920 589214516 /nfs/dbraw/zinc/21/45/16/589214516.db2.gz XSYIOUKJPVJPAO-QGZVFWFLSA-N 1 2 347.415 0.399 20 30 ECEDLO CC[C@H](CC#N)[NH2+]CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000846989090 589232081 /nfs/dbraw/zinc/23/20/81/589232081.db2.gz XRTOBHSMPNJDFS-BWBHSNQOSA-N 1 2 335.408 0.800 20 30 ECEDLO N#CCSc1ccccc1C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000847139570 589236418 /nfs/dbraw/zinc/23/64/18/589236418.db2.gz KYOOBOBGFJRPJX-ZDUSSCGKSA-N 1 2 335.429 0.725 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccn2cc[nH+]c2c1)C1CCOCC1 ZINC000850689332 589379843 /nfs/dbraw/zinc/37/98/43/589379843.db2.gz NJHKCLZNHUUDCZ-CQSZACIVSA-N 1 2 326.356 0.817 20 30 ECEDLO N#Cc1ccc(NCCNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)nc1 ZINC000851981903 589435830 /nfs/dbraw/zinc/43/58/30/589435830.db2.gz LNGFGIVQRKUVPP-HNNXBMFYSA-N 1 2 344.419 0.481 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(c2nc(C#N)c(Cl)s2)CC1 ZINC000853325054 589540652 /nfs/dbraw/zinc/54/06/52/589540652.db2.gz CYDDERWBIPAXNZ-UHFFFAOYSA-N 1 2 337.836 0.930 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2nc(C#N)c(Cl)s2)CC1 ZINC000853325054 589540654 /nfs/dbraw/zinc/54/06/54/589540654.db2.gz CYDDERWBIPAXNZ-UHFFFAOYSA-N 1 2 337.836 0.930 20 30 ECEDLO C#C[C@@H](CO)NC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000854775149 589605417 /nfs/dbraw/zinc/60/54/17/589605417.db2.gz FHQQWILWYAHULD-WOSRLPQWSA-N 1 2 332.404 0.220 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccs2)CC1 ZINC000112920068 589616934 /nfs/dbraw/zinc/61/69/34/589616934.db2.gz NNPBGYIKRGXPRW-GFCCVEGCSA-N 1 2 341.458 0.192 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000112921152 589617802 /nfs/dbraw/zinc/61/78/02/589617802.db2.gz PRSRMODWFSGCOO-RMKNXTFCSA-N 1 2 347.440 0.849 20 30 ECEDLO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2[nH+]ccn2C)cc1 ZINC000856276894 589658711 /nfs/dbraw/zinc/65/87/11/589658711.db2.gz SFJMHWVUTVPOGD-GFCCVEGCSA-N 1 2 346.412 0.823 20 30 ECEDLO C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2[nH+]ccn2C)c1 ZINC000856275901 589658822 /nfs/dbraw/zinc/65/88/22/589658822.db2.gz JXHSNFPOGGTKAU-LBPRGKRZSA-N 1 2 346.412 0.823 20 30 ECEDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N(CCC#N)Cc2cccnc2)C1 ZINC000866424458 589741028 /nfs/dbraw/zinc/74/10/28/589741028.db2.gz JFRXHXFDYVDIKP-HNNXBMFYSA-N 1 2 338.433 0.458 20 30 ECEDLO C[N@H+]1CCO[C@H](CS(=O)(=O)N(CCC#N)Cc2cccnc2)C1 ZINC000866424458 589741030 /nfs/dbraw/zinc/74/10/30/589741030.db2.gz JFRXHXFDYVDIKP-HNNXBMFYSA-N 1 2 338.433 0.458 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3cn[nH]c3)n2C[C@H]2CCOC2)CC1 ZINC000859140739 589802360 /nfs/dbraw/zinc/80/23/60/589802360.db2.gz UWHRCCIHPNNXBT-CQSZACIVSA-N 1 2 341.419 0.460 20 30 ECEDLO N#Cc1c(F)cccc1C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870064321 589995373 /nfs/dbraw/zinc/99/53/73/589995373.db2.gz JPBCHIMGMBZLAB-CYBMUJFWSA-N 1 2 333.363 0.871 20 30 ECEDLO COc1cccc([C@H]2CN(C(=O)[C@H](C)n3cnc(C#N)n3)CC[NH2+]2)c1 ZINC000870153483 590003977 /nfs/dbraw/zinc/00/39/77/590003977.db2.gz QOKKVBPCGHDORF-SWLSCSKDSA-N 1 2 340.387 0.892 20 30 ECEDLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(C)cc2C#N)CC1 ZINC000872456507 590118268 /nfs/dbraw/zinc/11/82/68/590118268.db2.gz OWOJVNZCJRMUHK-HNNXBMFYSA-N 1 2 337.445 0.944 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2ccc(CNS(=O)(=O)CC)cc2)CC1 ZINC000120471120 590136713 /nfs/dbraw/zinc/13/67/13/590136713.db2.gz HDPSDCBSINJLFI-UHFFFAOYSA-N 1 2 349.456 0.517 20 30 ECEDLO C#CCC[NH+]1CCN(c2c(F)c(C)ccc2S(N)(=O)=O)CC1 ZINC000865505830 590147868 /nfs/dbraw/zinc/14/78/68/590147868.db2.gz SGSDOSNNFNHOFH-UHFFFAOYSA-N 1 2 325.409 0.927 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(c2ncnc3[nH]c(Cl)cc32)CC1 ZINC000865505387 590148041 /nfs/dbraw/zinc/14/80/41/590148041.db2.gz DTCIZOMEEPEPJT-UHFFFAOYSA-N 1 2 332.795 0.434 20 30 ECEDLO COC[C@]1(C)CC(=O)N(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC000872792897 590149532 /nfs/dbraw/zinc/14/95/32/590149532.db2.gz DVNIUHPBKRRZBH-GOSISDBHSA-N 1 2 343.431 0.918 20 30 ECEDLO N#Cc1c(F)cccc1C[NH2+]CCS(=O)(=O)N1CCOCC1 ZINC000873044117 590180711 /nfs/dbraw/zinc/18/07/11/590180711.db2.gz CYESWZJFPATZEA-UHFFFAOYSA-N 1 2 327.381 0.449 20 30 ECEDLO C[N@@H+]1CCn2nc(NC(=O)C(=O)N3CCC[C@@](C)(C#N)C3)cc2C1 ZINC000873798397 590202255 /nfs/dbraw/zinc/20/22/55/590202255.db2.gz IIEVWGAEQAMUSS-INIZCTEOSA-N 1 2 330.392 0.419 20 30 ECEDLO C[N@H+]1CCn2nc(NC(=O)C(=O)N3CCC[C@@](C)(C#N)C3)cc2C1 ZINC000873798397 590202256 /nfs/dbraw/zinc/20/22/56/590202256.db2.gz IIEVWGAEQAMUSS-INIZCTEOSA-N 1 2 330.392 0.419 20 30 ECEDLO COc1ccc(NC(=O)C(=O)N(C)CC[NH+]2CCOCC2)cc1C#N ZINC000873822415 590203765 /nfs/dbraw/zinc/20/37/65/590203765.db2.gz HLVJRTAVQFCIHK-UHFFFAOYSA-N 1 2 346.387 0.296 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000875289342 590290359 /nfs/dbraw/zinc/29/03/59/590290359.db2.gz DJCBTXJDRIYMSW-GJZGRUSLSA-N 1 2 344.415 0.321 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000875601480 590313704 /nfs/dbraw/zinc/31/37/04/590313704.db2.gz MFPNTKIELJNIOB-CQSZACIVSA-N 1 2 330.388 0.015 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000875602231 590314030 /nfs/dbraw/zinc/31/40/30/590314030.db2.gz ZMNMSNWABQYSMS-OAHLLOKOSA-N 1 2 344.415 0.453 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000875608443 590315466 /nfs/dbraw/zinc/31/54/66/590315466.db2.gz WIYZTSDTJLZTMM-SJORKVTESA-N 1 2 343.427 0.656 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000875608443 590315468 /nfs/dbraw/zinc/31/54/68/590315468.db2.gz WIYZTSDTJLZTMM-SJORKVTESA-N 1 2 343.427 0.656 20 30 ECEDLO C#CC[C@H](COC)NC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000875926410 590347183 /nfs/dbraw/zinc/34/71/83/590347183.db2.gz FJQZGCBVMLWZIH-OAHLLOKOSA-N 1 2 327.425 0.015 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879932160 590351862 /nfs/dbraw/zinc/35/18/62/590351862.db2.gz VJWUYCKGRCJDCU-KKUMJFAQSA-N 1 2 326.462 0.942 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879932160 590351864 /nfs/dbraw/zinc/35/18/64/590351864.db2.gz VJWUYCKGRCJDCU-KKUMJFAQSA-N 1 2 326.462 0.942 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2ccc(C)c(NS(C)(=O)=O)c2)CC1 ZINC000128240039 590370892 /nfs/dbraw/zinc/37/08/92/590370892.db2.gz WPOWXZKXXRSFNH-UHFFFAOYSA-N 1 2 335.429 0.758 20 30 ECEDLO C#CCC1(O)CC[NH+](CC2=Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000880480968 590395053 /nfs/dbraw/zinc/39/50/53/590395053.db2.gz JESFOPYATJBUHX-UHFFFAOYSA-N 1 2 333.413 0.859 20 30 ECEDLO C#CCC1(O)CC[NH+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000880483610 590395421 /nfs/dbraw/zinc/39/54/21/590395421.db2.gz GGWXJAAMYOMGPX-UHFFFAOYSA-N 1 2 333.413 0.577 20 30 ECEDLO C=C(Cl)C[C@@H](NS(=O)(=O)CCn1cc[nH+]c1)C(=O)OCC ZINC000882471559 590552161 /nfs/dbraw/zinc/55/21/61/590552161.db2.gz WMVQPGMZTQFEOL-LLVKDONJSA-N 1 2 335.813 0.877 20 30 ECEDLO C#C[C@H](CO)NC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000879309354 590578717 /nfs/dbraw/zinc/57/87/17/590578717.db2.gz VNPSDFQKUYMJJV-MRXNPFEDSA-N 1 2 344.415 0.466 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)OCC)o2)C1 ZINC000885511558 590729598 /nfs/dbraw/zinc/72/95/98/590729598.db2.gz JMCAPQXAWJOCQY-GFCCVEGCSA-N 1 2 340.401 0.832 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)OCC)o2)C1 ZINC000885511558 590729602 /nfs/dbraw/zinc/72/96/02/590729602.db2.gz JMCAPQXAWJOCQY-GFCCVEGCSA-N 1 2 340.401 0.832 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000884192714 590769472 /nfs/dbraw/zinc/76/94/72/590769472.db2.gz MPPRCBQJJLKYDR-QWRGUYRKSA-N 1 2 337.342 0.433 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cccc(N2CCOCC2)c1 ZINC000884197470 590770658 /nfs/dbraw/zinc/77/06/58/590770658.db2.gz VEURRYGBVQPAAY-HNNXBMFYSA-N 1 2 333.388 0.908 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000884378436 590816621 /nfs/dbraw/zinc/81/66/21/590816621.db2.gz SFWJLHAHSDZQIP-CMPLNLGQSA-N 1 2 338.326 0.595 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(c2cccc(F)c2)CC1 ZINC000884471051 590836617 /nfs/dbraw/zinc/83/66/17/590836617.db2.gz KCPCBPZPZJYOHZ-HNNXBMFYSA-N 1 2 335.379 0.921 20 30 ECEDLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2nc(C#N)cs2)C1 ZINC000887976745 591026160 /nfs/dbraw/zinc/02/61/60/591026160.db2.gz RNOJOHGTXNKHLJ-LLVKDONJSA-N 1 2 336.417 0.906 20 30 ECEDLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2nc(C#N)cs2)C1 ZINC000887976745 591026165 /nfs/dbraw/zinc/02/61/65/591026165.db2.gz RNOJOHGTXNKHLJ-LLVKDONJSA-N 1 2 336.417 0.906 20 30 ECEDLO CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](CO)C[NH+](C)C)c1 ZINC000935981542 611421907 /nfs/dbraw/zinc/42/19/07/611421907.db2.gz QIROTRMHBREOMB-CQSZACIVSA-N 1 2 338.429 0.136 20 30 ECEDLO COC(=O)C1(C#N)CC[NH+](C[C@H]2CN=C(c3cnn(C)c3)O2)CC1 ZINC000930638276 611449286 /nfs/dbraw/zinc/44/92/86/611449286.db2.gz IMICXNTZILIWHM-CYBMUJFWSA-N 1 2 331.376 0.344 20 30 ECEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](C[C@H](O)C2(O)CCOCC2)C1 ZINC000930923717 611483082 /nfs/dbraw/zinc/48/30/82/611483082.db2.gz OAVODUUOLJYJMC-DLBZAZTESA-N 1 2 331.416 0.841 20 30 ECEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](C[C@H](O)C2(O)CCOCC2)C1 ZINC000930923717 611483083 /nfs/dbraw/zinc/48/30/83/611483083.db2.gz OAVODUUOLJYJMC-DLBZAZTESA-N 1 2 331.416 0.841 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000932038955 611594630 /nfs/dbraw/zinc/59/46/30/611594630.db2.gz PGHGSYDRSHPBPK-IRXDYDNUSA-N 1 2 347.459 0.618 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000932038955 611594633 /nfs/dbraw/zinc/59/46/33/611594633.db2.gz PGHGSYDRSHPBPK-IRXDYDNUSA-N 1 2 347.459 0.618 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000932038951 611594986 /nfs/dbraw/zinc/59/49/86/611594986.db2.gz PGHGSYDRSHPBPK-DLBZAZTESA-N 1 2 347.459 0.618 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000932038951 611594988 /nfs/dbraw/zinc/59/49/88/611594988.db2.gz PGHGSYDRSHPBPK-DLBZAZTESA-N 1 2 347.459 0.618 20 30 ECEDLO N#CCNC(=O)C[NH+]1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000932047660 611595790 /nfs/dbraw/zinc/59/57/90/611595790.db2.gz JSXFVGCGWGPMKU-UHFFFAOYSA-N 1 2 328.372 0.283 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C[C@H]1C ZINC000947032069 611619238 /nfs/dbraw/zinc/61/92/38/611619238.db2.gz JPVRYRLSQHPFAB-GHMZBOCLSA-N 1 2 343.229 0.551 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C[C@H]1C ZINC000947032069 611619240 /nfs/dbraw/zinc/61/92/40/611619240.db2.gz JPVRYRLSQHPFAB-GHMZBOCLSA-N 1 2 343.229 0.551 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1nncn1C ZINC000947216012 608937326 /nfs/dbraw/zinc/93/73/26/608937326.db2.gz CVBBZWMRLSIESS-NEPJUHHUSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1nncn1C ZINC000947216012 608937327 /nfs/dbraw/zinc/93/73/27/608937327.db2.gz CVBBZWMRLSIESS-NEPJUHHUSA-N 1 2 327.392 0.798 20 30 ECEDLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000937065177 608945794 /nfs/dbraw/zinc/94/57/94/608945794.db2.gz OZPHBCNLUOLKAM-CYBMUJFWSA-N 1 2 326.360 0.525 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2C3CCC2(C(N)=O)CC3)CC1 ZINC000932937003 611688203 /nfs/dbraw/zinc/68/82/03/611688203.db2.gz IDSKLPJCPNSFLW-SWKXRBFHSA-N 1 2 347.463 0.161 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2C3CCC2(C(N)=O)CC3)CC1 ZINC000932937003 611688207 /nfs/dbraw/zinc/68/82/07/611688207.db2.gz IDSKLPJCPNSFLW-SWKXRBFHSA-N 1 2 347.463 0.161 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000938172963 609486926 /nfs/dbraw/zinc/48/69/26/609486926.db2.gz LODOIVQGHCUBBN-GJZGRUSLSA-N 1 2 326.400 0.576 20 30 ECEDLO Cn1cc([C@@H]2CN(C(=O)CNc3ccc(C#N)cn3)CC[NH2+]2)cn1 ZINC000913463931 609676722 /nfs/dbraw/zinc/67/67/22/609676722.db2.gz LGELZAXMKZBZMI-AWEZNQCLSA-N 1 2 325.376 0.272 20 30 ECEDLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)Cc1csc(C#N)c1 ZINC000914092246 609851641 /nfs/dbraw/zinc/85/16/41/609851641.db2.gz DNZHHOCXXGKCMJ-LBPRGKRZSA-N 1 2 328.463 0.285 20 30 ECEDLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)Cc1csc(C#N)c1 ZINC000914092246 609851643 /nfs/dbraw/zinc/85/16/43/609851643.db2.gz DNZHHOCXXGKCMJ-LBPRGKRZSA-N 1 2 328.463 0.285 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)c1 ZINC000938705546 609953762 /nfs/dbraw/zinc/95/37/62/609953762.db2.gz SLCINTJQEVFVQH-INIZCTEOSA-N 1 2 337.383 0.680 20 30 ECEDLO C[C@H](NC(=O)N1C[C@@H](C)N(CC#N)[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000917016823 609957704 /nfs/dbraw/zinc/95/77/04/609957704.db2.gz XNVSFNDQMBURAU-FZKCQIBNSA-N 1 2 337.468 0.723 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000938713042 609958441 /nfs/dbraw/zinc/95/84/41/609958441.db2.gz PCYLPQFAMKNABZ-AWEZNQCLSA-N 1 2 340.387 0.915 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000938713042 609958443 /nfs/dbraw/zinc/95/84/43/609958443.db2.gz PCYLPQFAMKNABZ-AWEZNQCLSA-N 1 2 340.387 0.915 20 30 ECEDLO C=CCN1C(=O)c2ccc(C(=O)N3CC[N@@H+](C)C[C@H]3CO)cc2C1=O ZINC000912748702 610000585 /nfs/dbraw/zinc/00/05/85/610000585.db2.gz DGYHEOFYHASKOI-ZDUSSCGKSA-N 1 2 343.383 0.217 20 30 ECEDLO C=CCN1C(=O)c2ccc(C(=O)N3CC[N@H+](C)C[C@H]3CO)cc2C1=O ZINC000912748702 610000589 /nfs/dbraw/zinc/00/05/89/610000589.db2.gz DGYHEOFYHASKOI-ZDUSSCGKSA-N 1 2 343.383 0.217 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3)C2)cn1 ZINC000938968895 610058654 /nfs/dbraw/zinc/05/86/54/610058654.db2.gz PXVXRWWFOSDAKV-INIZCTEOSA-N 1 2 337.383 0.633 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3)C2)c1 ZINC000939563927 610238840 /nfs/dbraw/zinc/23/88/40/610238840.db2.gz AALRDINUTOIIIM-INIZCTEOSA-N 1 2 337.383 0.633 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccnn3[C@H](C)CC)CC2)C1 ZINC000941427274 610301165 /nfs/dbraw/zinc/30/11/65/610301165.db2.gz SRAGFUKTVICTKJ-OAHLLOKOSA-N 1 2 329.448 0.929 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnc4ccccc4n3)CC2)C1 ZINC000941437700 610315277 /nfs/dbraw/zinc/31/52/77/610315277.db2.gz CIWWBRATIUEUIN-UHFFFAOYSA-N 1 2 335.411 0.705 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000941449770 610324039 /nfs/dbraw/zinc/32/40/39/610324039.db2.gz TYVDBSWNFJAQAT-UONOGXRCSA-N 1 2 329.404 0.666 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)C1 ZINC000941472255 610330564 /nfs/dbraw/zinc/33/05/64/610330564.db2.gz WLNJALPVJMFXAX-UHFFFAOYSA-N 1 2 327.432 0.364 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)C1 ZINC000941472451 610330693 /nfs/dbraw/zinc/33/06/93/610330693.db2.gz YHLAWVVSRBELEJ-UHFFFAOYSA-N 1 2 341.459 0.754 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@]34CCC[C@H]3OCC4)CC2)C1 ZINC000941485187 610337912 /nfs/dbraw/zinc/33/79/12/610337912.db2.gz MWZDBAQPSUTLDU-MJGOQNOKSA-N 1 2 331.460 0.797 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3Cc4ccc(F)cc43)CC2)C1 ZINC000941534239 610365766 /nfs/dbraw/zinc/36/57/66/610365766.db2.gz PXAPADLHSCNDNR-SFHVURJKSA-N 1 2 327.403 0.927 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc(C)[nH]c3=O)CC2)C1 ZINC000941581966 610393607 /nfs/dbraw/zinc/39/36/07/610393607.db2.gz CUQHUWARCCMLIS-UHFFFAOYSA-N 1 2 328.416 0.561 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccc4nccnc43)CC2)C1 ZINC000941617954 610412983 /nfs/dbraw/zinc/41/29/83/610412983.db2.gz NCNMEVSLPSSOEH-UHFFFAOYSA-N 1 2 335.411 0.705 20 30 ECEDLO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3c[nH]c(C)cc3=O)CC2)C1 ZINC000941626797 610415504 /nfs/dbraw/zinc/41/55/04/610415504.db2.gz VJWZTOBVZPCOIA-UHFFFAOYSA-N 1 2 330.432 0.701 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000940891000 610418389 /nfs/dbraw/zinc/41/83/89/610418389.db2.gz KYJMWAWMHLTBKW-CABCVRRESA-N 1 2 346.431 0.994 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)COc3ccsc3)CC2)C1 ZINC000941639711 610424567 /nfs/dbraw/zinc/42/45/67/610424567.db2.gz WRIBLRSUNKBDJW-UHFFFAOYSA-N 1 2 333.457 0.979 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnn4ccc(C)nc34)CC2)C1 ZINC000941641443 610435490 /nfs/dbraw/zinc/43/54/90/610435490.db2.gz AOILIUCHFTVFFZ-UHFFFAOYSA-N 1 2 338.415 0.113 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC000942474441 610471587 /nfs/dbraw/zinc/47/15/87/610471587.db2.gz CDCDDUAHRNDOHZ-LSDHHAIUSA-N 1 2 348.447 0.508 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3cn(C)nn3)C[C@@H]2C)c1 ZINC000942617505 610539867 /nfs/dbraw/zinc/53/98/67/610539867.db2.gz QCFBHXLSMOVEMI-SUMWQHHRSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3cn(C)nn3)C[C@@H]2C)c1 ZINC000942617505 610539869 /nfs/dbraw/zinc/53/98/69/610539869.db2.gz QCFBHXLSMOVEMI-SUMWQHHRSA-N 1 2 338.415 0.832 20 30 ECEDLO Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)[nH]1 ZINC000941962284 610585247 /nfs/dbraw/zinc/58/52/47/610585247.db2.gz DAWJCQZCEHWZAM-YGRLFVJLSA-N 1 2 327.392 0.953 20 30 ECEDLO Cc1nnc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)[nH]1 ZINC000941962284 610585250 /nfs/dbraw/zinc/58/52/50/610585250.db2.gz DAWJCQZCEHWZAM-YGRLFVJLSA-N 1 2 327.392 0.953 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000941211631 610598048 /nfs/dbraw/zinc/59/80/48/610598048.db2.gz VQZLWGIQAPUINU-CVEARBPZSA-N 1 2 346.431 0.925 20 30 ECEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000942750568 610598282 /nfs/dbraw/zinc/59/82/82/610598282.db2.gz YHGMVIVRPKPEGY-HNNXBMFYSA-N 1 2 340.387 0.846 20 30 ECEDLO N#Cc1cc(C(=O)N[C@H]2CCCCN(C(=O)Cn3cc[nH+]c3)C2)c[nH]1 ZINC000943198724 610744147 /nfs/dbraw/zinc/74/41/47/610744147.db2.gz GDMXKEHDDGNHIQ-AWEZNQCLSA-N 1 2 340.387 0.894 20 30 ECEDLO C[C@H]1CN(CC#N)CC[C@@H]1NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000943252513 610775042 /nfs/dbraw/zinc/77/50/42/610775042.db2.gz BGZCNWYUKVYSFH-HOTGVXAUSA-N 1 2 334.464 0.982 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cn(C)nn3)C[C@@H]2C)cn1 ZINC000944213138 610785443 /nfs/dbraw/zinc/78/54/43/610785443.db2.gz AXRWYNLGAJAKQE-GUYCJALGSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nn3)C[C@@H]2C)cn1 ZINC000944213138 610785445 /nfs/dbraw/zinc/78/54/45/610785445.db2.gz AXRWYNLGAJAKQE-GUYCJALGSA-N 1 2 338.415 0.832 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCCN2C(=O)Cc2c[nH+]c[nH]2)nn1 ZINC000944328856 610838777 /nfs/dbraw/zinc/83/87/77/610838777.db2.gz KMRXYPBRXHSPNB-CYBMUJFWSA-N 1 2 343.391 0.151 20 30 ECEDLO C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000945252201 610982147 /nfs/dbraw/zinc/98/21/47/610982147.db2.gz JQSHFLFVKQQRRM-SMDDNHRTSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000945280117 610995148 /nfs/dbraw/zinc/99/51/48/610995148.db2.gz WOSGSRWMEDXOTM-WCQYABFASA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000945542877 611066921 /nfs/dbraw/zinc/06/69/21/611066921.db2.gz QQKDRKRMGIONAU-RISCZKNCSA-N 1 2 340.387 0.819 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000946290627 611198798 /nfs/dbraw/zinc/19/87/98/611198798.db2.gz GASFHKDSTQEPFU-STQMWFEESA-N 1 2 340.387 0.867 20 30 ECEDLO C#CC[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C)S(=O)(=O)C2)CC1 ZINC000923270826 611222847 /nfs/dbraw/zinc/22/28/47/611222847.db2.gz ZKGSCPMWAAXRCW-OCCSQVGLSA-N 1 2 327.450 0.349 20 30 ECEDLO CC(=O)NCC[N@@H+](C)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000842631133 611317935 /nfs/dbraw/zinc/31/79/35/611317935.db2.gz JFJRGXGAJGGTSG-UHFFFAOYSA-N 1 2 343.387 0.348 20 30 ECEDLO CC(=O)NCC[N@H+](C)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000842631133 611317936 /nfs/dbraw/zinc/31/79/36/611317936.db2.gz JFJRGXGAJGGTSG-UHFFFAOYSA-N 1 2 343.387 0.348 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCS(C)(=O)=O)[C@@H](C)C2)nc1 ZINC000947948188 611752328 /nfs/dbraw/zinc/75/23/28/611752328.db2.gz MMNHSABQTNWBCV-ZFWWWQNUSA-N 1 2 349.456 0.690 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCS(C)(=O)=O)[C@@H](C)C2)nc1 ZINC000947948188 611752329 /nfs/dbraw/zinc/75/23/29/611752329.db2.gz MMNHSABQTNWBCV-ZFWWWQNUSA-N 1 2 349.456 0.690 20 30 ECEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(C)Cc1cc(C#N)cs1 ZINC000929544008 611763334 /nfs/dbraw/zinc/76/33/34/611763334.db2.gz XKSZFLJUODRTGZ-NSHDSACASA-N 1 2 331.401 0.980 20 30 ECEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000948985114 611785739 /nfs/dbraw/zinc/78/57/39/611785739.db2.gz CMWNAEQHMYGHAQ-CVEARBPZSA-N 1 2 347.440 0.027 20 30 ECEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000948985114 611785742 /nfs/dbraw/zinc/78/57/42/611785742.db2.gz CMWNAEQHMYGHAQ-CVEARBPZSA-N 1 2 347.440 0.027 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cc(C)[nH]n1 ZINC000950754175 611889560 /nfs/dbraw/zinc/88/95/60/611889560.db2.gz RSXRPXJAQSUJHE-HIFRSBDPSA-N 1 2 329.404 0.146 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cc(C)[nH]n1 ZINC000950754175 611889564 /nfs/dbraw/zinc/88/95/64/611889564.db2.gz RSXRPXJAQSUJHE-HIFRSBDPSA-N 1 2 329.404 0.146 20 30 ECEDLO C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc(=O)n(CCOC)n2)C1 ZINC000950818221 611924402 /nfs/dbraw/zinc/92/44/02/611924402.db2.gz GWKXRESNSRWUDC-UHFFFAOYSA-N 1 2 334.420 0.612 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCOC3(CCN(C(=O)C4CC4)CC3)C2)C1=O ZINC000949273487 611925280 /nfs/dbraw/zinc/92/52/80/611925280.db2.gz GFGLMCMIIMQQNR-INIZCTEOSA-N 1 2 347.459 0.877 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCOC3(CCN(C(=O)C4CC4)CC3)C2)C1=O ZINC000949273487 611925282 /nfs/dbraw/zinc/92/52/82/611925282.db2.gz GFGLMCMIIMQQNR-INIZCTEOSA-N 1 2 347.459 0.877 20 30 ECEDLO C[C@@H](C(N)=O)[N@@H+]1CCOC2(CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000949338180 611943502 /nfs/dbraw/zinc/94/35/02/611943502.db2.gz JRWNTARGONBKRB-LBPRGKRZSA-N 1 2 345.403 0.067 20 30 ECEDLO C[C@@H](C(N)=O)[N@H+]1CCOC2(CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000949338180 611943505 /nfs/dbraw/zinc/94/35/05/611943505.db2.gz JRWNTARGONBKRB-LBPRGKRZSA-N 1 2 345.403 0.067 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](C)c3ccnn3C)CC2)C1 ZINC000949370471 611954636 /nfs/dbraw/zinc/95/46/36/611954636.db2.gz UCBRFWIZOLZSST-HNNXBMFYSA-N 1 2 330.432 0.850 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](C)c3ccnn3C)CC2)C1 ZINC000949370471 611954637 /nfs/dbraw/zinc/95/46/37/611954637.db2.gz UCBRFWIZOLZSST-HNNXBMFYSA-N 1 2 330.432 0.850 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)C1 ZINC000949398108 611964746 /nfs/dbraw/zinc/96/47/46/611964746.db2.gz HZWJRNUWJVPYGT-HNNXBMFYSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)C1 ZINC000949398108 611964748 /nfs/dbraw/zinc/96/47/48/611964748.db2.gz HZWJRNUWJVPYGT-HNNXBMFYSA-N 1 2 333.432 0.181 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCC3(CC2)C[N@@H+]([C@H]2CCNC2=O)CCO3)C1 ZINC000949468613 611990756 /nfs/dbraw/zinc/99/07/56/611990756.db2.gz JFEUAZKEKXQNON-HNNXBMFYSA-N 1 2 347.459 0.925 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCC3(CC2)C[N@H+]([C@H]2CCNC2=O)CCO3)C1 ZINC000949468613 611990759 /nfs/dbraw/zinc/99/07/59/611990759.db2.gz JFEUAZKEKXQNON-HNNXBMFYSA-N 1 2 347.459 0.925 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)CCn3cc(C)cn3)CC2)C1 ZINC000949532019 612023325 /nfs/dbraw/zinc/02/33/25/612023325.db2.gz VNJIFUCDJAGCDQ-UHFFFAOYSA-N 1 2 330.432 0.908 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)CCn3cc(C)cn3)CC2)C1 ZINC000949532019 612023327 /nfs/dbraw/zinc/02/33/27/612023327.db2.gz VNJIFUCDJAGCDQ-UHFFFAOYSA-N 1 2 330.432 0.908 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](C)N3CCOCC3)CC2)C1 ZINC000949536634 612025424 /nfs/dbraw/zinc/02/54/24/612025424.db2.gz DPTRNQRYOVJEEY-INIZCTEOSA-N 1 2 335.448 0.034 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H](C)N3CCOCC3)CC2)C1 ZINC000949536634 612025426 /nfs/dbraw/zinc/02/54/26/612025426.db2.gz DPTRNQRYOVJEEY-INIZCTEOSA-N 1 2 335.448 0.034 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)c1 ZINC000951249718 612103917 /nfs/dbraw/zinc/10/39/17/612103917.db2.gz DYCBTCLIAKGXEU-ZDUSSCGKSA-N 1 2 326.360 0.504 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)c1 ZINC000951253002 612107135 /nfs/dbraw/zinc/10/71/35/612107135.db2.gz OXHXBWYBBKUYIW-INIZCTEOSA-N 1 2 337.383 0.680 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC000952945253 612135186 /nfs/dbraw/zinc/13/51/86/612135186.db2.gz TZWNVQCUDPJPOE-CXAGYDPISA-N 1 2 329.404 0.953 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 ZINC000953168820 612190345 /nfs/dbraw/zinc/19/03/45/612190345.db2.gz UBOOPQGCEARTAD-LJQANCHMSA-N 1 2 340.427 0.827 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)Cc2c[nH+]cn2C)cn1 ZINC000951381872 612196149 /nfs/dbraw/zinc/19/61/49/612196149.db2.gz NQXYUDOXXZKXCD-OAHLLOKOSA-N 1 2 337.383 0.370 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)CCc2c[nH]c[nH+]2)cn1 ZINC000951386337 612199235 /nfs/dbraw/zinc/19/92/35/612199235.db2.gz ZJMCZDGABJZCGR-INIZCTEOSA-N 1 2 337.383 0.750 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)CCc2c[nH+]c[nH]2)cn1 ZINC000951386337 612199236 /nfs/dbraw/zinc/19/92/36/612199236.db2.gz ZJMCZDGABJZCGR-INIZCTEOSA-N 1 2 337.383 0.750 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CCn1cc[nH+]c1 ZINC000952177343 612265450 /nfs/dbraw/zinc/26/54/50/612265450.db2.gz AHOWFHRIZTZQON-ZNMIVQPWSA-N 1 2 332.404 0.581 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[NH+](C[C@H]3CCc4ncnn43)CC2)nn1 ZINC000951559648 612343951 /nfs/dbraw/zinc/34/39/51/612343951.db2.gz GOSQUVSQTDWPCS-CYBMUJFWSA-N 1 2 342.407 0.001 20 30 ECEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)C[C@@H]3CCC(=O)N3)CC2)c1 ZINC000951721845 612507577 /nfs/dbraw/zinc/50/75/77/612507577.db2.gz GQLHDWQVKILMNC-INIZCTEOSA-N 1 2 326.400 0.871 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCCN2C(=O)Cn2cc[nH+]c2)c1 ZINC000956080221 612684316 /nfs/dbraw/zinc/68/43/16/612684316.db2.gz HIONNVGVTGAOTC-INIZCTEOSA-N 1 2 337.383 0.680 20 30 ECEDLO C#Cc1ccccc1CC(=O)N(C)C1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000954931818 612794986 /nfs/dbraw/zinc/79/49/86/612794986.db2.gz AIWFABXLVOMNNN-UHFFFAOYSA-N 1 2 336.395 0.845 20 30 ECEDLO CC1(NC(=O)c2ccc(C#N)[nH]2)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000956340860 612842238 /nfs/dbraw/zinc/84/22/38/612842238.db2.gz NVRZNTDMQKDDRF-UHFFFAOYSA-N 1 2 340.387 0.963 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000954997112 612842537 /nfs/dbraw/zinc/84/25/37/612842537.db2.gz GWHIPSVLSVYLQR-CVEARBPZSA-N 1 2 346.431 0.993 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000955072972 612882364 /nfs/dbraw/zinc/88/23/64/612882364.db2.gz ZBAFZAAPJWGNQI-BBRMVZONSA-N 1 2 348.447 0.459 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000955072972 612882366 /nfs/dbraw/zinc/88/23/66/612882366.db2.gz ZBAFZAAPJWGNQI-BBRMVZONSA-N 1 2 348.447 0.459 20 30 ECEDLO CC(C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)CC1 ZINC000956580484 612917140 /nfs/dbraw/zinc/91/71/40/612917140.db2.gz DJWDYQGDZCAKDQ-OAHLLOKOSA-N 1 2 343.431 0.901 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3CCOC3)CC2)C1 ZINC000956589532 612920190 /nfs/dbraw/zinc/92/01/90/612920190.db2.gz XFKUPNZRSBDQSP-CVEARBPZSA-N 1 2 349.475 0.980 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccoc3)C2)CC1 ZINC000956605901 612924721 /nfs/dbraw/zinc/92/47/21/612924721.db2.gz NGXYLVOKQUFMKC-GOEBONIOSA-N 1 2 344.415 0.727 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)/C=C/C3CC3)C2)CC1 ZINC000956606940 612925146 /nfs/dbraw/zinc/92/51/46/612925146.db2.gz WQTLWKSQVPRCRA-SBAHZNLJSA-N 1 2 330.432 0.857 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001069973751 790265495 /nfs/dbraw/zinc/26/54/95/790265495.db2.gz JNDOKEFFZVAANA-CVEARBPZSA-N 1 2 345.447 0.706 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001069973751 790265498 /nfs/dbraw/zinc/26/54/98/790265498.db2.gz JNDOKEFFZVAANA-CVEARBPZSA-N 1 2 345.447 0.706 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001069977375 790269601 /nfs/dbraw/zinc/26/96/01/790269601.db2.gz RXTORZBDXXDMGS-HZMVEIRTSA-N 1 2 343.431 0.316 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001069977375 790269606 /nfs/dbraw/zinc/26/96/06/790269606.db2.gz RXTORZBDXXDMGS-HZMVEIRTSA-N 1 2 343.431 0.316 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2onc3c2CCCC3)[C@@H](n2ccnn2)C1 ZINC001069977982 790270773 /nfs/dbraw/zinc/27/07/73/790270773.db2.gz PXFPUAZJEBWWBS-CABCVRRESA-N 1 2 342.403 0.986 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2onc3c2CCCC3)[C@@H](n2ccnn2)C1 ZINC001069977982 790270778 /nfs/dbraw/zinc/27/07/78/790270778.db2.gz PXFPUAZJEBWWBS-CABCVRRESA-N 1 2 342.403 0.986 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(-n4cccn4)ccn3)[C@H]2C1 ZINC001083190323 731901453 /nfs/dbraw/zinc/90/14/53/731901453.db2.gz HYDSGRPSQWEWGH-DLBZAZTESA-N 1 2 337.383 0.426 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(-n4cccn4)ccn3)[C@H]2C1 ZINC001083190323 731901456 /nfs/dbraw/zinc/90/14/56/731901456.db2.gz HYDSGRPSQWEWGH-DLBZAZTESA-N 1 2 337.383 0.426 20 30 ECEDLO C[C@@H](NC(=O)c1nnn(C)n1)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000970289614 733313952 /nfs/dbraw/zinc/31/39/52/733313952.db2.gz JUNLPZHSGKKPPO-GFCCVEGCSA-N 1 2 342.378 0.451 20 30 ECEDLO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CNc1ccnc(C#N)n1 ZINC001104258870 733447814 /nfs/dbraw/zinc/44/78/14/733447814.db2.gz RRZFOHRHANHZMM-IJLUTSLNSA-N 1 2 325.376 0.461 20 30 ECEDLO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CNc1ccnc(C#N)n1 ZINC001104258870 733447816 /nfs/dbraw/zinc/44/78/16/733447816.db2.gz RRZFOHRHANHZMM-IJLUTSLNSA-N 1 2 325.376 0.461 20 30 ECEDLO Cc1cc(C)c(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)c(C)[nH+]1 ZINC001069985913 790280409 /nfs/dbraw/zinc/28/04/09/790280409.db2.gz PSDWNVWFFKGGNL-CABCVRRESA-N 1 2 339.403 0.777 20 30 ECEDLO Cc1nc(N(C)C)nc(NCC2(O)CCN(C(=O)[C@@H](C)C#N)CC2)[nH+]1 ZINC001067471564 733554403 /nfs/dbraw/zinc/55/44/03/733554403.db2.gz HKZRMOHLRPXYLZ-NSHDSACASA-N 1 2 347.423 0.171 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H](C)C2C[NH+](CC(=O)NC3CC3)C2)nn1 ZINC000970553542 733669510 /nfs/dbraw/zinc/66/95/10/733669510.db2.gz XSECUEMQICQYMH-GFCCVEGCSA-N 1 2 346.435 0.183 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC000970736486 733893946 /nfs/dbraw/zinc/89/39/46/733893946.db2.gz CLFCUKYMVFWCDL-SECBINFHSA-N 1 2 336.783 0.220 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H](C)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC000970753475 733909786 /nfs/dbraw/zinc/90/97/86/733909786.db2.gz JMHXTOYHMKUJIH-NWDGAFQWSA-N 1 2 330.388 0.018 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC000970865249 734025153 /nfs/dbraw/zinc/02/51/53/734025153.db2.gz IMBCYLJCXXRABC-SECBINFHSA-N 1 2 326.784 0.289 20 30 ECEDLO CC#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CS(C)(=O)=O ZINC001025210325 738810997 /nfs/dbraw/zinc/81/09/97/738810997.db2.gz PPPFMKDRNSPRCM-LSDHHAIUSA-N 1 2 326.462 0.900 20 30 ECEDLO CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CS(C)(=O)=O ZINC001025210325 738811002 /nfs/dbraw/zinc/81/10/02/738811002.db2.gz PPPFMKDRNSPRCM-LSDHHAIUSA-N 1 2 326.462 0.900 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N(CCO)CCNc1ccc(C#N)nc1 ZINC001111489286 734410623 /nfs/dbraw/zinc/41/06/23/734410623.db2.gz RGPNPGMCPLKCHD-UHFFFAOYSA-N 1 2 328.376 0.162 20 30 ECEDLO C=CCn1cc(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@@H](F)CC)C[C@@H]32)nn1 ZINC001083217984 734565585 /nfs/dbraw/zinc/56/55/85/734565585.db2.gz WTOQXSPUCDUFNL-AEGPPILISA-N 1 2 337.399 0.737 20 30 ECEDLO C=CCn1cc(C(=O)N2CCO[C@@H]3C[N@H+](C[C@@H](F)CC)C[C@@H]32)nn1 ZINC001083217984 734565587 /nfs/dbraw/zinc/56/55/87/734565587.db2.gz WTOQXSPUCDUFNL-AEGPPILISA-N 1 2 337.399 0.737 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC000971465646 734660833 /nfs/dbraw/zinc/66/08/33/734660833.db2.gz NJQDUHAHFIGJIG-JTQLQIEISA-N 1 2 328.214 0.870 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC000971465646 734660834 /nfs/dbraw/zinc/66/08/34/734660834.db2.gz NJQDUHAHFIGJIG-JTQLQIEISA-N 1 2 328.214 0.870 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3nccn4cc(C)nc34)[C@H]2C1 ZINC001083243268 735675093 /nfs/dbraw/zinc/67/50/93/735675093.db2.gz STICDXRZLBYDEQ-LSDHHAIUSA-N 1 2 339.399 0.586 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3nccn4cc(C)nc34)[C@H]2C1 ZINC001083243268 735675094 /nfs/dbraw/zinc/67/50/94/735675094.db2.gz STICDXRZLBYDEQ-LSDHHAIUSA-N 1 2 339.399 0.586 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3cccc(C)c3=O)C2)C1 ZINC000972381295 736044769 /nfs/dbraw/zinc/04/47/69/736044769.db2.gz OVDAWVOHILELBZ-SFHVURJKSA-N 1 2 329.400 0.093 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3cccc(C)c3=O)C2)C1 ZINC000972381295 736044774 /nfs/dbraw/zinc/04/47/74/736044774.db2.gz OVDAWVOHILELBZ-SFHVURJKSA-N 1 2 329.400 0.093 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3cccc(C)c3=O)C2)C1 ZINC000972380696 736049304 /nfs/dbraw/zinc/04/93/04/736049304.db2.gz ISUNGWDLMGZGHB-IBGZPJMESA-N 1 2 343.427 0.483 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3cccc(C)c3=O)C2)C1 ZINC000972380696 736049308 /nfs/dbraw/zinc/04/93/08/736049308.db2.gz ISUNGWDLMGZGHB-IBGZPJMESA-N 1 2 343.427 0.483 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)NC(=O)C4)C2)C1 ZINC000972391984 736108280 /nfs/dbraw/zinc/10/82/80/736108280.db2.gz RINNBCCJZZIFSO-LJQANCHMSA-N 1 2 339.395 0.731 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)NC(=O)C4)C2)C1 ZINC000972391984 736108282 /nfs/dbraw/zinc/10/82/82/736108282.db2.gz RINNBCCJZZIFSO-LJQANCHMSA-N 1 2 339.395 0.731 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(C)nc3OC)C2)C1 ZINC000972404731 736133450 /nfs/dbraw/zinc/13/34/50/736133450.db2.gz IMXCYMKNKJCWGL-KRWDZBQOSA-N 1 2 332.404 0.897 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(C)nc3OC)C2)C1 ZINC000972404731 736133451 /nfs/dbraw/zinc/13/34/51/736133451.db2.gz IMXCYMKNKJCWGL-KRWDZBQOSA-N 1 2 332.404 0.897 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3cn(C)nc3C)C2)C1 ZINC000972415996 736153235 /nfs/dbraw/zinc/15/32/35/736153235.db2.gz BYZSTJPUJLQRCC-GOSISDBHSA-N 1 2 330.432 0.598 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3cn(C)nc3C)C2)C1 ZINC000972415996 736153237 /nfs/dbraw/zinc/15/32/37/736153237.db2.gz BYZSTJPUJLQRCC-GOSISDBHSA-N 1 2 330.432 0.598 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4n3CCOC4)C2)C1 ZINC000972421767 736165737 /nfs/dbraw/zinc/16/57/37/736165737.db2.gz JOURYANWOKVEPD-SFHVURJKSA-N 1 2 344.415 0.354 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4n3CCOC4)C2)C1 ZINC000972421767 736165741 /nfs/dbraw/zinc/16/57/41/736165741.db2.gz JOURYANWOKVEPD-SFHVURJKSA-N 1 2 344.415 0.354 20 30 ECEDLO C#CCN1CCO[C@]2(CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1 ZINC000972428760 736177501 /nfs/dbraw/zinc/17/75/01/736177501.db2.gz PRXYYDRYEUHBIM-GOSISDBHSA-N 1 2 330.432 0.863 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)nc3COC)C2)C1 ZINC000972440602 736202675 /nfs/dbraw/zinc/20/26/75/736202675.db2.gz HDWFCJJTGDOJSV-KRWDZBQOSA-N 1 2 334.420 0.669 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)nc3COC)C2)C1 ZINC000972440602 736202678 /nfs/dbraw/zinc/20/26/78/736202678.db2.gz HDWFCJJTGDOJSV-KRWDZBQOSA-N 1 2 334.420 0.669 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCN(C(C)=O)C3)C2)C1 ZINC000972455980 736245122 /nfs/dbraw/zinc/24/51/22/736245122.db2.gz PDEDISLLKUUTOL-HKUYNNGSSA-N 1 2 347.459 0.572 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCN(C(C)=O)C3)C2)C1 ZINC000972455980 736245124 /nfs/dbraw/zinc/24/51/24/736245124.db2.gz PDEDISLLKUUTOL-HKUYNNGSSA-N 1 2 347.459 0.572 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(F)F)nn3C)C2)C1 ZINC000972463801 736262637 /nfs/dbraw/zinc/26/26/37/736262637.db2.gz XYLIRIHIVZLTCH-INIZCTEOSA-N 1 2 338.358 0.908 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(F)F)nn3C)C2)C1 ZINC000972463801 736262639 /nfs/dbraw/zinc/26/26/39/736262639.db2.gz XYLIRIHIVZLTCH-INIZCTEOSA-N 1 2 338.358 0.908 20 30 ECEDLO C=CCCC(=O)NCC1(O)CN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001041973373 782523313 /nfs/dbraw/zinc/52/33/13/782523313.db2.gz XMUUGTWCWWCWIF-UHFFFAOYSA-N 1 2 333.388 0.288 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3cncnc3)C2)C1 ZINC000972466012 736266856 /nfs/dbraw/zinc/26/68/56/736266856.db2.gz OMHKHFRFQWAERZ-GOSISDBHSA-N 1 2 328.416 0.736 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3cncnc3)C2)C1 ZINC000972466012 736266858 /nfs/dbraw/zinc/26/68/58/736266858.db2.gz OMHKHFRFQWAERZ-GOSISDBHSA-N 1 2 328.416 0.736 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)C2)C1 ZINC000972478192 736302632 /nfs/dbraw/zinc/30/26/32/736302632.db2.gz FHPNTNISTZRDGX-GPMSIDNRSA-N 1 2 342.443 0.850 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)C2)C1 ZINC000972478192 736302634 /nfs/dbraw/zinc/30/26/34/736302634.db2.gz FHPNTNISTZRDGX-GPMSIDNRSA-N 1 2 342.443 0.850 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](OC)c3cnn(C)c3)C2)C1 ZINC000972480924 736308683 /nfs/dbraw/zinc/30/86/83/736308683.db2.gz WDCSFUVKYBTOJK-RDJZCZTQSA-N 1 2 332.404 0.044 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](OC)c3cnn(C)c3)C2)C1 ZINC000972480924 736308686 /nfs/dbraw/zinc/30/86/86/736308686.db2.gz WDCSFUVKYBTOJK-RDJZCZTQSA-N 1 2 332.404 0.044 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](OC)c3cnn(C)c3)C2)C1 ZINC000972481154 736310156 /nfs/dbraw/zinc/31/01/56/736310156.db2.gz YGDZBBYLUBGHTF-SJLPKXTDSA-N 1 2 346.431 0.434 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](OC)c3cnn(C)c3)C2)C1 ZINC000972481154 736310159 /nfs/dbraw/zinc/31/01/59/736310159.db2.gz YGDZBBYLUBGHTF-SJLPKXTDSA-N 1 2 346.431 0.434 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)nc[nH]c3=O)C2)C1 ZINC000972511936 736496138 /nfs/dbraw/zinc/49/61/38/736496138.db2.gz LLJJLDPPJUXIKD-KRWDZBQOSA-N 1 2 330.388 0.431 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)nc[nH]c3=O)C2)C1 ZINC000972511936 736496140 /nfs/dbraw/zinc/49/61/40/736496140.db2.gz LLJJLDPPJUXIKD-KRWDZBQOSA-N 1 2 330.388 0.431 20 30 ECEDLO Cn1ncc(C[N@@H+]2CCC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001023315315 736676096 /nfs/dbraw/zinc/67/60/96/736676096.db2.gz WJAMGZYNESEHOL-LBPRGKRZSA-N 1 2 327.392 0.657 20 30 ECEDLO Cn1ncc(C[N@H+]2CCC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001023315315 736676098 /nfs/dbraw/zinc/67/60/98/736676098.db2.gz WJAMGZYNESEHOL-LBPRGKRZSA-N 1 2 327.392 0.657 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3ccc(C)cc3=O)C2)C1 ZINC000972581349 736940310 /nfs/dbraw/zinc/94/03/10/736940310.db2.gz HKMOCLNSLSRBPS-GOSISDBHSA-N 1 2 329.400 0.093 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3ccc(C)cc3=O)C2)C1 ZINC000972581349 736940315 /nfs/dbraw/zinc/94/03/15/736940315.db2.gz HKMOCLNSLSRBPS-GOSISDBHSA-N 1 2 329.400 0.093 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4cccnn43)C2)C1 ZINC000972582955 736949384 /nfs/dbraw/zinc/94/93/84/736949384.db2.gz PPYJCIOYWCQNLW-KRWDZBQOSA-N 1 2 325.372 0.279 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4cccnn43)C2)C1 ZINC000972582955 736949386 /nfs/dbraw/zinc/94/93/86/736949386.db2.gz PPYJCIOYWCQNLW-KRWDZBQOSA-N 1 2 325.372 0.279 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CCC[C@@H](C)C3)C2)C1 ZINC000972585394 736970205 /nfs/dbraw/zinc/97/02/05/736970205.db2.gz LZCMOMLKYWRSLL-CRAIPNDOSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CCC[C@@H](C)C3)C2)C1 ZINC000972585394 736970210 /nfs/dbraw/zinc/97/02/10/736970210.db2.gz LZCMOMLKYWRSLL-CRAIPNDOSA-N 1 2 333.432 0.181 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cnn(C)n3)C2)c1 ZINC001023582925 737038569 /nfs/dbraw/zinc/03/85/69/737038569.db2.gz SSBZSCVHNQMTSP-HNNXBMFYSA-N 1 2 338.415 0.833 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cnn(C)n3)C2)c1 ZINC001023582925 737038573 /nfs/dbraw/zinc/03/85/73/737038573.db2.gz SSBZSCVHNQMTSP-HNNXBMFYSA-N 1 2 338.415 0.833 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(CC)c[nH]c3=O)C2)C1 ZINC000972615644 737100110 /nfs/dbraw/zinc/10/01/10/737100110.db2.gz RNLWVOBVUCIIGS-GOSISDBHSA-N 1 2 329.400 0.900 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(CC)c[nH]c3=O)C2)C1 ZINC000972615644 737100113 /nfs/dbraw/zinc/10/01/13/737100113.db2.gz RNLWVOBVUCIIGS-GOSISDBHSA-N 1 2 329.400 0.900 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(OC)cc[nH]c3=O)C2)C1 ZINC000972640537 737203898 /nfs/dbraw/zinc/20/38/98/737203898.db2.gz KOTIDGRMPQVZGU-QGZVFWFLSA-N 1 2 331.372 0.346 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(OC)cc[nH]c3=O)C2)C1 ZINC000972640537 737203902 /nfs/dbraw/zinc/20/39/02/737203902.db2.gz KOTIDGRMPQVZGU-QGZVFWFLSA-N 1 2 331.372 0.346 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3nc(C)ccc3=O)C2)C1 ZINC000972646230 737246012 /nfs/dbraw/zinc/24/60/12/737246012.db2.gz FSMYJNBWIKWGJA-KRWDZBQOSA-N 1 2 332.404 0.041 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3nc(C)ccc3=O)C2)C1 ZINC000972646230 737246017 /nfs/dbraw/zinc/24/60/17/737246017.db2.gz FSMYJNBWIKWGJA-KRWDZBQOSA-N 1 2 332.404 0.041 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCN(C(C)=O)C3)C2)C1 ZINC000972655486 737265586 /nfs/dbraw/zinc/26/55/86/737265586.db2.gz LCOPCCKUYYKRIT-FUHWJXTLSA-N 1 2 333.432 0.181 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCN(C(C)=O)C3)C2)C1 ZINC000972655486 737265588 /nfs/dbraw/zinc/26/55/88/737265588.db2.gz LCOPCCKUYYKRIT-FUHWJXTLSA-N 1 2 333.432 0.181 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnn(CCOC)c3)C2)C1 ZINC000972661021 737276038 /nfs/dbraw/zinc/27/60/38/737276038.db2.gz WKVORTMTYVTWDF-QGZVFWFLSA-N 1 2 334.420 0.632 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnn(CCOC)c3)C2)C1 ZINC000972661021 737276040 /nfs/dbraw/zinc/27/60/40/737276040.db2.gz WKVORTMTYVTWDF-QGZVFWFLSA-N 1 2 334.420 0.632 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3c(C)n[nH]c3C)C2)C1 ZINC000972669404 737315918 /nfs/dbraw/zinc/31/59/18/737315918.db2.gz LWZGLHWFTFFIFB-SFHVURJKSA-N 1 2 330.432 0.896 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3c(C)n[nH]c3C)C2)C1 ZINC000972669404 737315920 /nfs/dbraw/zinc/31/59/20/737315920.db2.gz LWZGLHWFTFFIFB-SFHVURJKSA-N 1 2 330.432 0.896 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cncc(C(N)=O)c3)C2)C1 ZINC000972675832 737349096 /nfs/dbraw/zinc/34/90/96/737349096.db2.gz DUZRGSCUZLPTFO-GOSISDBHSA-N 1 2 342.399 0.121 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cncc(C(N)=O)c3)C2)C1 ZINC000972675832 737349101 /nfs/dbraw/zinc/34/91/01/737349101.db2.gz DUZRGSCUZLPTFO-GOSISDBHSA-N 1 2 342.399 0.121 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3noc4c3COCC4)C2)C1 ZINC000972681886 737369079 /nfs/dbraw/zinc/36/90/79/737369079.db2.gz BUQBXWUZRUDLMB-QGZVFWFLSA-N 1 2 333.388 0.850 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3noc4c3COCC4)C2)C1 ZINC000972681886 737369082 /nfs/dbraw/zinc/36/90/82/737369082.db2.gz BUQBXWUZRUDLMB-QGZVFWFLSA-N 1 2 333.388 0.850 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C(C)C)N3CCCC3=O)C2)C1 ZINC000972694334 737402409 /nfs/dbraw/zinc/40/24/09/737402409.db2.gz BDTKUEXZXIAVPS-IEBWSBKVSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C(C)C)N3CCCC3=O)C2)C1 ZINC000972694334 737402411 /nfs/dbraw/zinc/40/24/11/737402411.db2.gz BDTKUEXZXIAVPS-IEBWSBKVSA-N 1 2 347.459 0.570 20 30 ECEDLO Cc1c[nH+]c2cc(C(=O)N[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3O)ccn12 ZINC001023842857 737437226 /nfs/dbraw/zinc/43/72/26/737437226.db2.gz JIFLVAGGOWZRIV-ZLKJLUDKSA-N 1 2 341.371 0.104 20 30 ECEDLO C=C1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001024414173 737949014 /nfs/dbraw/zinc/94/90/14/737949014.db2.gz JTEIIUJZMFHXLJ-HUUCEWRRSA-N 1 2 332.404 0.317 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001024685910 738219310 /nfs/dbraw/zinc/21/93/10/738219310.db2.gz QJSCZHNFNAZADE-QWRGUYRKSA-N 1 2 328.800 0.308 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001024685910 738219312 /nfs/dbraw/zinc/21/93/12/738219312.db2.gz QJSCZHNFNAZADE-QWRGUYRKSA-N 1 2 328.800 0.308 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001024705747 738232980 /nfs/dbraw/zinc/23/29/80/738232980.db2.gz KRSCIOKSCDIJNQ-GFCCVEGCSA-N 1 2 327.812 0.762 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001024705747 738232982 /nfs/dbraw/zinc/23/29/82/738232982.db2.gz KRSCIOKSCDIJNQ-GFCCVEGCSA-N 1 2 327.812 0.762 20 30 ECEDLO Cc1cc(C#N)nc(NC[C@H](C)N(C)C(=O)Cc2c[nH+]cn2C)n1 ZINC001104625046 739261831 /nfs/dbraw/zinc/26/18/31/739261831.db2.gz WMVSCWNSKKIIDK-LBPRGKRZSA-N 1 2 327.392 0.892 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H](C)C2CN(C(=O)Cc3c[nH+]c[nH]3)C2)nc1 ZINC001006526780 751481987 /nfs/dbraw/zinc/48/19/87/751481987.db2.gz ACATVARBRSFBPB-LBPRGKRZSA-N 1 2 337.383 0.605 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(F)c1 ZINC001025775918 739944759 /nfs/dbraw/zinc/94/47/59/739944759.db2.gz QJUCTKPZJDYWBU-QUEVPRLRSA-N 1 2 344.346 0.909 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(F)c1 ZINC001025775918 739944762 /nfs/dbraw/zinc/94/47/62/739944762.db2.gz QJUCTKPZJDYWBU-QUEVPRLRSA-N 1 2 344.346 0.909 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C3CCC(NC(C)=O)CC3)[C@H]2C1 ZINC001083290806 740415990 /nfs/dbraw/zinc/41/59/90/740415990.db2.gz XAKRRABZXSVGNA-SJJHQCBESA-N 1 2 333.432 0.226 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C3CCC(NC(C)=O)CC3)[C@H]2C1 ZINC001083290806 740415991 /nfs/dbraw/zinc/41/59/91/740415991.db2.gz XAKRRABZXSVGNA-SJJHQCBESA-N 1 2 333.432 0.226 20 30 ECEDLO C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)C[C@H]21 ZINC001026376773 741118028 /nfs/dbraw/zinc/11/80/28/741118028.db2.gz GBKDHHCWFZGASH-IACUBPJLSA-N 1 2 342.403 0.084 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](C)CC)C2)nn1 ZINC001098618763 741417604 /nfs/dbraw/zinc/41/76/04/741417604.db2.gz JSRSOYQBVOOSHN-ZFWWWQNUSA-N 1 2 348.451 0.489 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[N@@H+]([C@@H](CC)C(N)=O)CC2)nn1 ZINC000982143250 751639831 /nfs/dbraw/zinc/63/98/31/751639831.db2.gz QPDGZKNOHFCMLU-AWEZNQCLSA-N 1 2 334.424 0.266 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[N@H+]([C@@H](CC)C(N)=O)CC2)nn1 ZINC000982143250 751639837 /nfs/dbraw/zinc/63/98/37/751639837.db2.gz QPDGZKNOHFCMLU-AWEZNQCLSA-N 1 2 334.424 0.266 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3ncc[nH]3)C2)nn1 ZINC001105223815 741501805 /nfs/dbraw/zinc/50/18/05/741501805.db2.gz JXRZUQWDHBGVOK-UHFFFAOYSA-N 1 2 327.392 0.130 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCO[C@H]3C)C2)nn1 ZINC001105225510 741507440 /nfs/dbraw/zinc/50/74/40/741507440.db2.gz WEVBRUFMDIQZPQ-BBRMVZONSA-N 1 2 331.420 0.589 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCO[C@@H]3CC)C2)nn1 ZINC001105256689 741571926 /nfs/dbraw/zinc/57/19/26/741571926.db2.gz NPZVWWJXOOURPC-IAGOWNOFSA-N 1 2 345.447 0.980 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCO[C@H]3C(C)C)C2)nn1 ZINC001105259650 741581609 /nfs/dbraw/zinc/58/16/09/741581609.db2.gz HCCVHWFJQKMGRA-HOTGVXAUSA-N 1 2 331.420 0.445 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ncc(C)cc3OC)C2)nn1 ZINC001105262121 741588102 /nfs/dbraw/zinc/58/81/02/741588102.db2.gz IEGSQRMFWQAWDJ-UHFFFAOYSA-N 1 2 340.387 0.410 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccn4c3CCCC4)C2)nn1 ZINC001105262232 741588850 /nfs/dbraw/zinc/58/88/50/741588850.db2.gz PRWIVPCDBRYDJW-UHFFFAOYSA-N 1 2 338.415 0.836 20 30 ECEDLO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001105268319 741610144 /nfs/dbraw/zinc/61/01/44/741610144.db2.gz JONDGFCIGJNSIY-CZUORRHYSA-N 1 2 348.451 0.046 20 30 ECEDLO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)nn1 ZINC001105268319 741610145 /nfs/dbraw/zinc/61/01/45/741610145.db2.gz JONDGFCIGJNSIY-CZUORRHYSA-N 1 2 348.451 0.046 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(Cl)n(C)n3)C2)nn1 ZINC001105278926 741634094 /nfs/dbraw/zinc/63/40/94/741634094.db2.gz ZJCTYHIFWPRKFA-UHFFFAOYSA-N 1 2 347.810 0.475 20 30 ECEDLO CCC[C@H](OC)C(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105296945 741674146 /nfs/dbraw/zinc/67/41/46/741674146.db2.gz CYLGUTFXUOUPLX-INIZCTEOSA-N 1 2 349.435 0.216 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3nc(C)no3)C2)nn1 ZINC001105297972 741676536 /nfs/dbraw/zinc/67/65/36/741676536.db2.gz ZOVOBNFUQXJMBS-UHFFFAOYSA-N 1 2 343.391 0.099 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC13CCOCC3)C2 ZINC001111521352 741694359 /nfs/dbraw/zinc/69/43/59/741694359.db2.gz USGICOZJVOERCG-BARDWOONSA-N 1 2 346.431 0.164 20 30 ECEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC13CCOCC3)C2 ZINC001111521352 741694360 /nfs/dbraw/zinc/69/43/60/741694360.db2.gz USGICOZJVOERCG-BARDWOONSA-N 1 2 346.431 0.164 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)cnn3C)C2)nn1 ZINC001105303758 741698880 /nfs/dbraw/zinc/69/88/80/741698880.db2.gz RDRLXHNKOYYIRR-UHFFFAOYSA-N 1 2 327.392 0.130 20 30 ECEDLO N#CCNCc1cn(C2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)nn1 ZINC001105325636 741802726 /nfs/dbraw/zinc/80/27/26/741802726.db2.gz UYGOJYHICNMJNP-ZDUSSCGKSA-N 1 2 340.391 0.118 20 30 ECEDLO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCCS2(=O)=O)C(C)(C)C1 ZINC000974660891 741968445 /nfs/dbraw/zinc/96/84/45/741968445.db2.gz FLWOXINTJSZBKP-ZIAGYGMSSA-N 1 2 326.462 0.804 20 30 ECEDLO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCCS2(=O)=O)C(C)(C)C1 ZINC000974660891 741968447 /nfs/dbraw/zinc/96/84/47/741968447.db2.gz FLWOXINTJSZBKP-ZIAGYGMSSA-N 1 2 326.462 0.804 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C(C)(C)C1 ZINC000974755723 742150753 /nfs/dbraw/zinc/15/07/53/742150753.db2.gz WJSWOVZGKCEBFD-CYBMUJFWSA-N 1 2 342.871 0.340 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C(C)(C)C1 ZINC000974755723 742150754 /nfs/dbraw/zinc/15/07/54/742150754.db2.gz WJSWOVZGKCEBFD-CYBMUJFWSA-N 1 2 342.871 0.340 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3cn[nH]n3)C(C)(C)C2)C1=O ZINC000974780586 742181142 /nfs/dbraw/zinc/18/11/42/742181142.db2.gz BXHDHQGTISKKKE-STQMWFEESA-N 1 2 332.408 0.032 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3cn[nH]n3)C(C)(C)C2)C1=O ZINC000974780586 742181144 /nfs/dbraw/zinc/18/11/44/742181144.db2.gz BXHDHQGTISKKKE-STQMWFEESA-N 1 2 332.408 0.032 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3cnn[nH]3)C(C)(C)C2)C1=O ZINC000974780586 742181148 /nfs/dbraw/zinc/18/11/48/742181148.db2.gz BXHDHQGTISKKKE-STQMWFEESA-N 1 2 332.408 0.032 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3cnn[nH]3)C(C)(C)C2)C1=O ZINC000974780586 742181151 /nfs/dbraw/zinc/18/11/51/742181151.db2.gz BXHDHQGTISKKKE-STQMWFEESA-N 1 2 332.408 0.032 20 30 ECEDLO C#CCNCc1cn(C2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)nn1 ZINC001105336272 742356925 /nfs/dbraw/zinc/35/69/25/742356925.db2.gz BGOIBFKHEYIHRS-ZDUSSCGKSA-N 1 2 327.392 0.232 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ncnn3CC)C2)nc1 ZINC001028936514 742919593 /nfs/dbraw/zinc/91/95/93/742919593.db2.gz ZCCCDPHSKYKEFS-HNNXBMFYSA-N 1 2 338.415 0.926 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](Cc3ncnn3CC)C2)nc1 ZINC001028936514 742919601 /nfs/dbraw/zinc/91/96/01/742919601.db2.gz ZCCCDPHSKYKEFS-HNNXBMFYSA-N 1 2 338.415 0.926 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)c2[nH]c(C)nc2C)C1=O ZINC001038703724 743227761 /nfs/dbraw/zinc/22/77/61/743227761.db2.gz GLEIHCSJRMITGS-KGLIPLIRSA-N 1 2 331.420 0.618 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)c2[nH]c(C)nc2C)C1=O ZINC001038703724 743227766 /nfs/dbraw/zinc/22/77/66/743227766.db2.gz GLEIHCSJRMITGS-KGLIPLIRSA-N 1 2 331.420 0.618 20 30 ECEDLO C#Cc1ccccc1CC(=O)NC1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000997236566 743389018 /nfs/dbraw/zinc/38/90/18/743389018.db2.gz UTKZSONBLQIJRE-UHFFFAOYSA-N 1 2 336.395 0.514 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3oncc3C)CC2)C1=O ZINC000983552777 743432578 /nfs/dbraw/zinc/43/25/78/743432578.db2.gz AJBDAWHFXHIKDJ-CQSZACIVSA-N 1 2 332.404 0.918 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3oncc3C)CC2)C1=O ZINC000983552777 743432585 /nfs/dbraw/zinc/43/25/85/743432585.db2.gz AJBDAWHFXHIKDJ-CQSZACIVSA-N 1 2 332.404 0.918 20 30 ECEDLO C=CCO[C@H](C)C(=O)NCC[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001059867279 751828477 /nfs/dbraw/zinc/82/84/77/751828477.db2.gz LFGUNMCFSDVYPU-CABCVRRESA-N 1 2 334.420 0.829 20 30 ECEDLO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CC[NH+](Cc2nnnn2C)CC1 ZINC000997552474 743671407 /nfs/dbraw/zinc/67/14/07/743671407.db2.gz OLCNIKPOZOMOJP-NSHDSACASA-N 1 2 342.407 0.440 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc[nH]n1 ZINC000997769662 743799551 /nfs/dbraw/zinc/79/95/51/743799551.db2.gz NNPILQHNRPWXDJ-OEAJRASXSA-N 1 2 341.415 0.369 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc[nH]n1 ZINC000997769662 743799553 /nfs/dbraw/zinc/79/95/53/743799553.db2.gz NNPILQHNRPWXDJ-OEAJRASXSA-N 1 2 341.415 0.369 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccn[nH]1 ZINC000997769662 743799557 /nfs/dbraw/zinc/79/95/57/743799557.db2.gz NNPILQHNRPWXDJ-OEAJRASXSA-N 1 2 341.415 0.369 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccn[nH]1 ZINC000997769662 743799561 /nfs/dbraw/zinc/79/95/61/743799561.db2.gz NNPILQHNRPWXDJ-OEAJRASXSA-N 1 2 341.415 0.369 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2[C@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@H]32)c[nH]1 ZINC000976407165 743917166 /nfs/dbraw/zinc/91/71/66/743917166.db2.gz GCCKBIPFNPYZSY-FOLVSLTJSA-N 1 2 338.371 0.429 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2[C@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@H]32)c[nH]1 ZINC000976407165 743917170 /nfs/dbraw/zinc/91/71/70/743917170.db2.gz GCCKBIPFNPYZSY-FOLVSLTJSA-N 1 2 338.371 0.429 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H](C)C2CN(C(=O)Cn3cc[nH+]c3)C2)c1 ZINC001006831957 751884804 /nfs/dbraw/zinc/88/48/04/751884804.db2.gz HETRTYHXCHXDOI-ZDUSSCGKSA-N 1 2 337.383 0.536 20 30 ECEDLO C#CC[NH2+][C@H]1CN(C(=O)CCc2nc[nH]n2)CC[C@@H]1C(F)(F)F ZINC000998257710 744082105 /nfs/dbraw/zinc/08/21/05/744082105.db2.gz PWDNVVZRCMZHCT-QWRGUYRKSA-N 1 2 329.326 0.740 20 30 ECEDLO C=C1CC(C)(C(=O)N(CCO)CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001058773621 744189051 /nfs/dbraw/zinc/18/90/51/744189051.db2.gz QLXIHVZXOPUMJS-UHFFFAOYSA-N 1 2 334.420 0.567 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cc[nH+]c2)nc1 ZINC000976766429 744308520 /nfs/dbraw/zinc/30/85/20/744308520.db2.gz SIYHPTJSHNJTFU-HALDLXJZSA-N 1 2 335.367 0.146 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2ncccn2)C1 ZINC000998923248 744407841 /nfs/dbraw/zinc/40/78/41/744407841.db2.gz PUQXYBWKRVKNSF-GPANFISMSA-N 1 2 327.432 0.653 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2ncccn2)C1 ZINC000998923248 744407842 /nfs/dbraw/zinc/40/78/42/744407842.db2.gz PUQXYBWKRVKNSF-GPANFISMSA-N 1 2 327.432 0.653 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC000976928456 744500685 /nfs/dbraw/zinc/50/06/85/744500685.db2.gz USBMLXYPWYRETQ-UWRURVRSSA-N 1 2 344.415 0.425 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1C[N@@H+]([C@@H](C)C(N)=O)CC1(C)C ZINC000977512433 745131853 /nfs/dbraw/zinc/13/18/53/745131853.db2.gz JUEPRMCCAXGPEO-JSGCOSHPSA-N 1 2 344.415 0.408 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1C[N@H+]([C@@H](C)C(N)=O)CC1(C)C ZINC000977512433 745131857 /nfs/dbraw/zinc/13/18/57/745131857.db2.gz JUEPRMCCAXGPEO-JSGCOSHPSA-N 1 2 344.415 0.408 20 30 ECEDLO C#CC[NH+]1CCC(C2(NC(=O)[C@H]3CCCCS3(=O)=O)CC2)CC1 ZINC001000174813 745312642 /nfs/dbraw/zinc/31/26/42/745312642.db2.gz PEMJHMWGLKYPPE-OAHLLOKOSA-N 1 2 338.473 0.948 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@H]([NH2+]Cc3nnc(C)o3)C2)nn1 ZINC001000401998 745477478 /nfs/dbraw/zinc/47/74/78/745477478.db2.gz HFNAYWVCMUFELG-LBPRGKRZSA-N 1 2 331.380 0.550 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](Nc2nc(C)cc(C#N)n2)C1 ZINC001058937671 752006218 /nfs/dbraw/zinc/00/62/18/752006218.db2.gz LEAMUSGWGCEHQD-LBPRGKRZSA-N 1 2 325.376 0.944 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3nc(C)no3)C2)nn1 ZINC001000425804 745490150 /nfs/dbraw/zinc/49/01/50/745490150.db2.gz IZXZUKIQTGUDQF-CYBMUJFWSA-N 1 2 345.407 0.940 20 30 ECEDLO CCc1nc(C#N)cc(N[C@H]2C[C@H](NC(=O)Cc3c[nH+]cn3C)C2)n1 ZINC001059263327 745492598 /nfs/dbraw/zinc/49/25/98/745492598.db2.gz PGESUZSJUWGHCV-HAQNSBGRSA-N 1 2 339.403 0.946 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@H]3CCCO3)C2)nn1 ZINC001098626653 745557436 /nfs/dbraw/zinc/55/74/36/745557436.db2.gz XRXYBPAIAVPLPU-JKSUJKDBSA-N 1 2 331.420 0.734 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCOCC)[C@H](OC)C1 ZINC001211925381 752022762 /nfs/dbraw/zinc/02/27/62/752022762.db2.gz VXJUORITCXQFFI-RBSFLKMASA-N 1 2 341.452 0.309 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCOCC)[C@H](OC)C1 ZINC001211925381 752022768 /nfs/dbraw/zinc/02/27/68/752022768.db2.gz VXJUORITCXQFFI-RBSFLKMASA-N 1 2 341.452 0.309 20 30 ECEDLO CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000977912562 745665692 /nfs/dbraw/zinc/66/56/92/745665692.db2.gz ZRLDJLLTEQYNET-HZPDHXFCSA-N 1 2 340.427 0.918 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001027579563 745789176 /nfs/dbraw/zinc/78/91/76/745789176.db2.gz LPLVRYYTKCVXMV-UTUOFQBUSA-N 1 2 344.253 0.939 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001027579563 745789181 /nfs/dbraw/zinc/78/91/81/745789181.db2.gz LPLVRYYTKCVXMV-UTUOFQBUSA-N 1 2 344.253 0.939 20 30 ECEDLO C#Cc1ccc(C(=O)NCCC2(C[NH2+]Cc3nnn(C)n3)CC2)nc1 ZINC001167784623 745878141 /nfs/dbraw/zinc/87/81/41/745878141.db2.gz WJZLJBLPMVOUOC-UHFFFAOYSA-N 1 2 339.403 0.276 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2C(=O)Cn2cc[nH+]c2)cn1 ZINC000978100247 745916982 /nfs/dbraw/zinc/91/69/82/745916982.db2.gz WOBSLIMNIWXORI-MRXNPFEDSA-N 1 2 337.383 0.633 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nnc(C)[nH]2)[C@@H]1CC ZINC001087607209 746115483 /nfs/dbraw/zinc/11/54/83/746115483.db2.gz QYSSUHHJKAIGJW-XHSDSOJGSA-N 1 2 344.463 0.680 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2nnc(C)[nH]2)[C@@H]1CC ZINC001087607209 746115484 /nfs/dbraw/zinc/11/54/84/746115484.db2.gz QYSSUHHJKAIGJW-XHSDSOJGSA-N 1 2 344.463 0.680 20 30 ECEDLO C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C2(S(C)(=O)=O)CCCC2)C1 ZINC001027613560 746235233 /nfs/dbraw/zinc/23/52/33/746235233.db2.gz KACHAVFXJPJHLU-CQSZACIVSA-N 1 2 326.462 0.900 20 30 ECEDLO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C2(S(C)(=O)=O)CCCC2)C1 ZINC001027613560 746235235 /nfs/dbraw/zinc/23/52/35/746235235.db2.gz KACHAVFXJPJHLU-CQSZACIVSA-N 1 2 326.462 0.900 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2nncn2C)[C@@H]1CC ZINC001087729799 746254870 /nfs/dbraw/zinc/25/48/70/746254870.db2.gz XLBZATYDKNXKKU-BARDWOONSA-N 1 2 333.436 0.875 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nncn2C)[C@@H]1CC ZINC001087729799 746254873 /nfs/dbraw/zinc/25/48/73/746254873.db2.gz XLBZATYDKNXKKU-BARDWOONSA-N 1 2 333.436 0.875 20 30 ECEDLO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)[C@H]1CC ZINC001087758991 746288537 /nfs/dbraw/zinc/28/85/37/746288537.db2.gz WXICUPADLVIHGW-SQWLQELKSA-N 1 2 326.462 0.946 20 30 ECEDLO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)[C@H]1CC ZINC001087758991 746288540 /nfs/dbraw/zinc/28/85/40/746288540.db2.gz WXICUPADLVIHGW-SQWLQELKSA-N 1 2 326.462 0.946 20 30 ECEDLO C[C@@H](CC(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1)n1cc[nH+]c1 ZINC001001358092 746305425 /nfs/dbraw/zinc/30/54/25/746305425.db2.gz VEQOEKMWFZVGNC-LBPRGKRZSA-N 1 2 340.387 0.922 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ncn[nH]3)[C@H]2CC)C1=O ZINC001087767501 746306001 /nfs/dbraw/zinc/30/60/01/746306001.db2.gz FUJUFBFHSQDCQN-XQQFMLRXSA-N 1 2 332.408 0.174 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ncn[nH]3)[C@H]2CC)C1=O ZINC001087767501 746306006 /nfs/dbraw/zinc/30/60/06/746306006.db2.gz FUJUFBFHSQDCQN-XQQFMLRXSA-N 1 2 332.408 0.174 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001001485200 746423710 /nfs/dbraw/zinc/42/37/10/746423710.db2.gz SRKXECZWRRUOKG-LLVKDONJSA-N 1 2 340.387 0.676 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001001485200 746423712 /nfs/dbraw/zinc/42/37/12/746423712.db2.gz SRKXECZWRRUOKG-LLVKDONJSA-N 1 2 340.387 0.676 20 30 ECEDLO C=CCCCC(=O)N1CC[C@H](n2cc(C[NH2+][C@@H](C)C(=O)NC)nn2)C1 ZINC001098710688 746712288 /nfs/dbraw/zinc/71/22/88/746712288.db2.gz JJXJLYTYTFOEBW-ZFWWWQNUSA-N 1 2 348.451 0.632 20 30 ECEDLO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)Cc3c[nH]cn3)C2)nn1 ZINC001105340670 746761062 /nfs/dbraw/zinc/76/10/62/746761062.db2.gz 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C=CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)C)C2)nn1 ZINC001105366510 752463895 /nfs/dbraw/zinc/46/38/95/752463895.db2.gz TVHIXJBYBTUBBY-UHFFFAOYSA-N 1 2 334.424 0.099 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](OC)C3CCCC3)C2)nn1 ZINC001105367792 752465170 /nfs/dbraw/zinc/46/51/70/752465170.db2.gz AQSLCTARRBWNJV-MRXNPFEDSA-N 1 2 331.420 0.589 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(F)cc2)[C@H](OC)C1 ZINC001211764986 752662944 /nfs/dbraw/zinc/66/29/44/752662944.db2.gz YAQHZXLHWOEHJT-DAXOMENPSA-N 1 2 347.390 0.393 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(F)cc2)[C@H](OC)C1 ZINC001211764986 752662948 /nfs/dbraw/zinc/66/29/48/752662948.db2.gz YAQHZXLHWOEHJT-DAXOMENPSA-N 1 2 347.390 0.393 20 30 ECEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)CNC(C)=O ZINC001211774157 752696648 /nfs/dbraw/zinc/69/66/48/752696648.db2.gz OELYYYHNHKLTEZ-IAGOWNOFSA-N 1 2 347.390 0.129 20 30 ECEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)CNC(C)=O ZINC001211774157 752696653 /nfs/dbraw/zinc/69/66/53/752696653.db2.gz OELYYYHNHKLTEZ-IAGOWNOFSA-N 1 2 347.390 0.129 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccccc2)[C@H](OC)C1 ZINC001211779863 752708408 /nfs/dbraw/zinc/70/84/08/752708408.db2.gz NMCFCHBNUPYVJA-NUEKZKHPSA-N 1 2 329.400 0.254 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccccc2)[C@H](OC)C1 ZINC001211779863 752708415 /nfs/dbraw/zinc/70/84/15/752708415.db2.gz NMCFCHBNUPYVJA-NUEKZKHPSA-N 1 2 329.400 0.254 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccccc2C)[C@H](OC)C1 ZINC001211780189 752711044 /nfs/dbraw/zinc/71/10/44/752711044.db2.gz WSMZSYHETUCJHT-USXIJHARSA-N 1 2 343.427 0.562 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccccc2C)[C@H](OC)C1 ZINC001211780189 752711050 /nfs/dbraw/zinc/71/10/50/752711050.db2.gz WSMZSYHETUCJHT-USXIJHARSA-N 1 2 343.427 0.562 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)/C=C\C2CC2)[C@H](OC)C1 ZINC001212090130 752712006 /nfs/dbraw/zinc/71/20/06/752712006.db2.gz NCCPXPQJMLBFIS-MGSINWNPSA-N 1 2 347.459 0.969 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)/C=C\C2CC2)[C@H](OC)C1 ZINC001212090130 752712009 /nfs/dbraw/zinc/71/20/09/752712009.db2.gz NCCPXPQJMLBFIS-MGSINWNPSA-N 1 2 347.459 0.969 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@]2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)CCO2 ZINC001007655647 752722255 /nfs/dbraw/zinc/72/22/55/752722255.db2.gz SWKUGGKGSWIRHI-SFHVURJKSA-N 1 2 342.399 0.196 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001021294209 752756221 /nfs/dbraw/zinc/75/62/21/752756221.db2.gz SPNLJXINLRTPIQ-XHSDSOJGSA-N 1 2 349.475 0.979 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001021294209 752756227 /nfs/dbraw/zinc/75/62/27/752756227.db2.gz SPNLJXINLRTPIQ-XHSDSOJGSA-N 1 2 349.475 0.979 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@@H+](Cc3ncnn3CCF)C2)c1 ZINC001028471224 752773032 /nfs/dbraw/zinc/77/30/32/752773032.db2.gz UIVBBCKGVCFAGU-LBPRGKRZSA-N 1 2 345.382 0.699 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@H+](Cc3ncnn3CCF)C2)c1 ZINC001028471224 752773036 /nfs/dbraw/zinc/77/30/36/752773036.db2.gz UIVBBCKGVCFAGU-LBPRGKRZSA-N 1 2 345.382 0.699 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@@H+](Cc3ncnn3CCF)C2)c1 ZINC001028471223 752773397 /nfs/dbraw/zinc/77/33/97/752773397.db2.gz UIVBBCKGVCFAGU-GFCCVEGCSA-N 1 2 345.382 0.699 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@H+](Cc3ncnn3CCF)C2)c1 ZINC001028471223 752773400 /nfs/dbraw/zinc/77/34/00/752773400.db2.gz UIVBBCKGVCFAGU-GFCCVEGCSA-N 1 2 345.382 0.699 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)CCO2 ZINC001007684852 752785387 /nfs/dbraw/zinc/78/53/87/752785387.db2.gz LXDWMGATPMZMNY-SFHVURJKSA-N 1 2 346.431 0.994 20 30 ECEDLO N#Cc1cnc(N[C@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)cn1 ZINC001058995813 752811682 /nfs/dbraw/zinc/81/16/82/752811682.db2.gz YVWGZNCVCITBOX-OLZOCXBDSA-N 1 2 337.387 0.820 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3nnnn3C3CC3)C2)c[nH]1 ZINC001028489278 752825747 /nfs/dbraw/zinc/82/57/47/752825747.db2.gz YCCVRUZVETYNGP-NSHDSACASA-N 1 2 340.391 0.460 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3nnnn3C3CC3)C2)c[nH]1 ZINC001028489278 752825751 /nfs/dbraw/zinc/82/57/51/752825751.db2.gz YCCVRUZVETYNGP-NSHDSACASA-N 1 2 340.391 0.460 20 30 ECEDLO N#Cc1nccc(N[C@H]2CCN(C(=O)c3cccc4[nH+]ccn43)C2)n1 ZINC001059004490 752929145 /nfs/dbraw/zinc/92/91/45/752929145.db2.gz ICZZLVKORVFFRA-LBPRGKRZSA-N 1 2 333.355 0.744 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C3(F)CCOCC3)C2)nn1 ZINC001098680188 753243834 /nfs/dbraw/zinc/24/38/34/753243834.db2.gz CAQXUHAFNIBFJP-AWEZNQCLSA-N 1 2 335.383 0.293 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3csnn3)C2)C1=O ZINC001008086616 753291368 /nfs/dbraw/zinc/29/13/68/753291368.db2.gz FMFBDAOMRQYFFN-AAEUAGOBSA-N 1 2 335.433 0.519 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3csnn3)C2)C1=O ZINC001008086616 753291372 /nfs/dbraw/zinc/29/13/72/753291372.db2.gz FMFBDAOMRQYFFN-AAEUAGOBSA-N 1 2 335.433 0.519 20 30 ECEDLO CC(C)Cc1noc(C[NH2+]C[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)n1 ZINC001051494852 762206410 /nfs/dbraw/zinc/20/64/10/762206410.db2.gz OCTAPCGKEQXOEL-OLZOCXBDSA-N 1 2 335.408 0.745 20 30 ECEDLO CCCCc1noc(C[NH2+]C[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n1 ZINC001051495896 762210709 /nfs/dbraw/zinc/21/07/09/762210709.db2.gz YOGLKIMFVLPRDB-STQMWFEESA-N 1 2 335.408 0.889 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2nc(C(F)F)no2)C1 ZINC001051495934 762210997 /nfs/dbraw/zinc/21/09/97/762210997.db2.gz YZFDFIRHJJWZHZ-DTWKUNHWSA-N 1 2 329.307 0.484 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000982738883 753448940 /nfs/dbraw/zinc/44/89/40/753448940.db2.gz HTCZIXUDKVQKKY-HOTGVXAUSA-N 1 2 340.427 0.824 20 30 ECEDLO CC1(C)CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001008293901 753559901 /nfs/dbraw/zinc/55/99/01/753559901.db2.gz VVQXUWSDVOAIPC-AWEZNQCLSA-N 1 2 340.387 0.750 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3cncs3)[C@@H](O)C2)cc1 ZINC001083360041 753673240 /nfs/dbraw/zinc/67/32/40/753673240.db2.gz MMLRHKWHHLXJQD-KGLIPLIRSA-N 1 2 328.397 0.990 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)c3cncs3)[C@@H](O)C2)cc1 ZINC001083360041 753673242 /nfs/dbraw/zinc/67/32/42/753673242.db2.gz MMLRHKWHHLXJQD-KGLIPLIRSA-N 1 2 328.397 0.990 20 30 ECEDLO CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001105495746 753737582 /nfs/dbraw/zinc/73/75/82/753737582.db2.gz ZKLUONLHIVOGFL-CYBMUJFWSA-N 1 2 339.403 0.702 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)c1 ZINC001008467719 753770627 /nfs/dbraw/zinc/77/06/27/753770627.db2.gz GLVQJYBXJAFESD-GJZGRUSLSA-N 1 2 340.383 0.062 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCC(=O)NC3=O)C2)c1 ZINC001008467719 753770633 /nfs/dbraw/zinc/77/06/33/753770633.db2.gz GLVQJYBXJAFESD-GJZGRUSLSA-N 1 2 340.383 0.062 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N3CCC3)C2)c1 ZINC001008470069 753774330 /nfs/dbraw/zinc/77/43/30/753774330.db2.gz SCZSZHMLYVUHDT-INIZCTEOSA-N 1 2 326.400 0.489 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCC3)C2)c1 ZINC001008470069 753774335 /nfs/dbraw/zinc/77/43/35/753774335.db2.gz SCZSZHMLYVUHDT-INIZCTEOSA-N 1 2 326.400 0.489 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000982935878 754230057 /nfs/dbraw/zinc/23/00/57/754230057.db2.gz QQYZEMBNBLYRSC-VYDXJSESSA-N 1 2 346.431 0.829 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)cn1 ZINC000982934871 754237344 /nfs/dbraw/zinc/23/73/44/754237344.db2.gz JORDBPXCHWRPQZ-CQSZACIVSA-N 1 2 337.383 0.538 20 30 ECEDLO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001008894678 754274356 /nfs/dbraw/zinc/27/43/56/754274356.db2.gz YAMCLDDLQLZHPN-GFCCVEGCSA-N 1 2 330.392 0.228 20 30 ECEDLO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001008894678 754274360 /nfs/dbraw/zinc/27/43/60/754274360.db2.gz YAMCLDDLQLZHPN-GFCCVEGCSA-N 1 2 330.392 0.228 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3cn(CC)nn3)CC2)C1=O ZINC000983049800 754508979 /nfs/dbraw/zinc/50/89/79/754508979.db2.gz LTLHBFPVDRJYMN-OAHLLOKOSA-N 1 2 346.435 0.233 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3cn(CC)nn3)CC2)C1=O ZINC000983049800 754508985 /nfs/dbraw/zinc/50/89/85/754508985.db2.gz LTLHBFPVDRJYMN-OAHLLOKOSA-N 1 2 346.435 0.233 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cccc4[nH+]ccn43)[C@@H]2C1 ZINC001009251154 754710020 /nfs/dbraw/zinc/71/00/20/754710020.db2.gz OAKYMCQRFPVJQH-XDQVBPFNSA-N 1 2 337.383 0.928 20 30 ECEDLO Cc1nnc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)o1 ZINC001051554403 762328376 /nfs/dbraw/zinc/32/83/76/762328376.db2.gz DWBGEZOOLRWQOK-GXFFZTMASA-N 1 2 344.375 0.770 20 30 ECEDLO Cn1ncc(C[N@@H+]2CC[C@@]3(NC(=O)c4cc(C#N)c[nH]4)CCC[C@H]23)n1 ZINC000990158875 754784649 /nfs/dbraw/zinc/78/46/49/754784649.db2.gz AVUFZGPTWDWSDN-RDJZCZTQSA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1ncc(C[N@H+]2CC[C@@]3(NC(=O)c4cc(C#N)c[nH]4)CCC[C@H]23)n1 ZINC000990158875 754784653 /nfs/dbraw/zinc/78/46/53/754784653.db2.gz AVUFZGPTWDWSDN-RDJZCZTQSA-N 1 2 339.403 0.942 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)nsc3C)C2)nn1 ZINC001105378379 755063606 /nfs/dbraw/zinc/06/36/06/755063606.db2.gz CBXCHKSMDVOFLZ-UHFFFAOYSA-N 1 2 330.417 0.771 20 30 ECEDLO N#Cc1cnc(NC[C@H](O)CNC(=O)Cn2cc[nH+]c2)c(Cl)c1 ZINC001105882539 762389365 /nfs/dbraw/zinc/38/93/65/762389365.db2.gz HOUVZEVTNHISMO-LLVKDONJSA-N 1 2 334.767 0.392 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)[nH]1 ZINC000983365929 755411556 /nfs/dbraw/zinc/41/15/56/755411556.db2.gz VVZXNJVEEBGDSK-LLVKDONJSA-N 1 2 326.360 0.430 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC2CN(C(=O)c3cccc4[nH+]ccn43)C2)c1 ZINC000990702994 755653266 /nfs/dbraw/zinc/65/32/66/755653266.db2.gz GTPDYVHBASDBBH-UHFFFAOYSA-N 1 2 334.339 0.788 20 30 ECEDLO COc1cc(-c2noc(C[NH2+]CCNC(=O)C#CC3CC3)n2)ncn1 ZINC001126881497 755778366 /nfs/dbraw/zinc/77/83/66/755778366.db2.gz VFFWQRSTXGFJDK-UHFFFAOYSA-N 1 2 342.359 0.154 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](O)C1 ZINC000991646060 762427480 /nfs/dbraw/zinc/42/74/80/762427480.db2.gz NOXHCJRPDVOFBX-UKRRQHHQSA-N 1 2 348.447 0.941 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2ocnc2C)C[C@@H]1O ZINC001083526498 755923656 /nfs/dbraw/zinc/92/36/56/755923656.db2.gz VJYZJSOISNYOAF-HIFRSBDPSA-N 1 2 330.388 0.946 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@@H]1O ZINC001083526498 755923658 /nfs/dbraw/zinc/92/36/58/755923658.db2.gz VJYZJSOISNYOAF-HIFRSBDPSA-N 1 2 330.388 0.946 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CC2(CCN(CC#N)CC2)O1 ZINC001098660523 755937064 /nfs/dbraw/zinc/93/70/64/755937064.db2.gz UUJHLCQHICQFAX-OAHLLOKOSA-N 1 2 345.447 0.958 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(C)cs2)C[C@@H]1O ZINC001083535393 755972325 /nfs/dbraw/zinc/97/23/25/755972325.db2.gz OFGZEPNALPKVQD-ILXRZTDVSA-N 1 2 348.472 0.210 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(C)cs2)C[C@@H]1O ZINC001083535393 755972328 /nfs/dbraw/zinc/97/23/28/755972328.db2.gz OFGZEPNALPKVQD-ILXRZTDVSA-N 1 2 348.472 0.210 20 30 ECEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3F)C2)C1 ZINC001010429207 756128054 /nfs/dbraw/zinc/12/80/54/756128054.db2.gz SABXHXZSWIBFBB-NVXWUHKLSA-N 1 2 346.406 0.718 20 30 ECEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3F)C2)C1 ZINC001010429207 756128059 /nfs/dbraw/zinc/12/80/59/756128059.db2.gz SABXHXZSWIBFBB-NVXWUHKLSA-N 1 2 346.406 0.718 20 30 ECEDLO CCc1nnc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCO2)o1 ZINC001051609488 762459242 /nfs/dbraw/zinc/45/92/42/762459242.db2.gz UINMVGCLSAPQFH-GXTWGEPZSA-N 1 2 332.404 0.923 20 30 ECEDLO CCc1nnc([C@H](C)[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCO2)o1 ZINC001051609489 762459335 /nfs/dbraw/zinc/45/93/35/762459335.db2.gz UINMVGCLSAPQFH-JSGCOSHPSA-N 1 2 332.404 0.923 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)CN3CCOCC3)C2)c1 ZINC001010672084 756379244 /nfs/dbraw/zinc/37/92/44/756379244.db2.gz UYMGECIGAKEUOY-MRXNPFEDSA-N 1 2 346.406 0.720 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)CN3CCOCC3)C2)c1 ZINC001010672084 756379246 /nfs/dbraw/zinc/37/92/46/756379246.db2.gz UYMGECIGAKEUOY-MRXNPFEDSA-N 1 2 346.406 0.720 20 30 ECEDLO Cn1ncc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)c1N ZINC001010709904 756429226 /nfs/dbraw/zinc/42/92/26/756429226.db2.gz VVZLEVKMKOKURJ-SNVBAGLBSA-N 1 2 330.417 0.940 20 30 ECEDLO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)c1N ZINC001010709904 756429232 /nfs/dbraw/zinc/42/92/32/756429232.db2.gz VVZLEVKMKOKURJ-SNVBAGLBSA-N 1 2 330.417 0.940 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)[C@@H]2C1 ZINC001076370458 756430530 /nfs/dbraw/zinc/43/05/30/756430530.db2.gz XEGXQJVCQGMQFZ-GXTWGEPZSA-N 1 2 342.403 0.180 20 30 ECEDLO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)[C@@H]2C1 ZINC001076370458 756430532 /nfs/dbraw/zinc/43/05/32/756430532.db2.gz XEGXQJVCQGMQFZ-GXTWGEPZSA-N 1 2 342.403 0.180 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001010750733 756479319 /nfs/dbraw/zinc/47/93/19/756479319.db2.gz OPWGSHCODGFIHS-CQSZACIVSA-N 1 2 329.404 0.884 20 30 ECEDLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)C#CC1CC1 ZINC001076432514 756507214 /nfs/dbraw/zinc/50/72/14/756507214.db2.gz UGAAHLRLFLVKRK-DOTOQJQBSA-N 1 2 349.475 0.912 20 30 ECEDLO CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)C#CC1CC1 ZINC001076432514 756507218 /nfs/dbraw/zinc/50/72/18/756507218.db2.gz UGAAHLRLFLVKRK-DOTOQJQBSA-N 1 2 349.475 0.912 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC001076440174 756518040 /nfs/dbraw/zinc/51/80/40/756518040.db2.gz WXEKVWWMZYOQNN-HRCADAONSA-N 1 2 338.473 0.757 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC001076440174 756518043 /nfs/dbraw/zinc/51/80/43/756518043.db2.gz WXEKVWWMZYOQNN-HRCADAONSA-N 1 2 338.473 0.757 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001010838838 756586929 /nfs/dbraw/zinc/58/69/29/756586929.db2.gz WADDQSKWUUOJJC-AWEZNQCLSA-N 1 2 329.404 0.884 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001076512033 756606634 /nfs/dbraw/zinc/60/66/34/756606634.db2.gz MYXCORUROUKXIV-KBPBESRZSA-N 1 2 347.415 0.682 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCO3)C2)cc1C#N ZINC001076716718 756912364 /nfs/dbraw/zinc/91/23/64/756912364.db2.gz XEWSPEKMYBDIPL-BFYDXBDKSA-N 1 2 345.399 0.407 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCO3)C2)cc1C#N ZINC001076716718 756912370 /nfs/dbraw/zinc/91/23/70/756912370.db2.gz XEWSPEKMYBDIPL-BFYDXBDKSA-N 1 2 345.399 0.407 20 30 ECEDLO C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O)n1cccn1 ZINC001076765571 757019020 /nfs/dbraw/zinc/01/90/20/757019020.db2.gz IUNWMYDZFOSVOO-KCPJHIHWSA-N 1 2 345.428 0.739 20 30 ECEDLO C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O)n1cccn1 ZINC001076765571 757019031 /nfs/dbraw/zinc/01/90/31/757019031.db2.gz IUNWMYDZFOSVOO-KCPJHIHWSA-N 1 2 345.428 0.739 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O)[C@@H]1CCOC1 ZINC001076792404 757139102 /nfs/dbraw/zinc/13/91/02/757139102.db2.gz UZDOWFGJLHIWRF-DJIMGWMZSA-N 1 2 348.830 0.889 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O)[C@@H]1CCOC1 ZINC001076792404 757139106 /nfs/dbraw/zinc/13/91/06/757139106.db2.gz UZDOWFGJLHIWRF-DJIMGWMZSA-N 1 2 348.830 0.889 20 30 ECEDLO CCOCC[NH+]1CC(n2cc(CNC(=O)c3c[nH]c(C#N)c3)nn2)C1 ZINC001107160744 757183980 /nfs/dbraw/zinc/18/39/80/757183980.db2.gz HOTKHCOPVQXBKK-UHFFFAOYSA-N 1 2 343.391 0.301 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCOCC(F)F)nn2)C1 ZINC001107172585 757222575 /nfs/dbraw/zinc/22/25/75/757222575.db2.gz AVJVGPGPQDMIMG-UHFFFAOYSA-N 1 2 329.351 0.609 20 30 ECEDLO O=C(C[C@H]1CCOC1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001076824149 757276666 /nfs/dbraw/zinc/27/66/66/757276666.db2.gz XODIZXFEOXJUKB-KZNAEPCWSA-N 1 2 328.412 0.626 20 30 ECEDLO O=C(C[C@H]1CCOC1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001076824149 757276673 /nfs/dbraw/zinc/27/66/73/757276673.db2.gz XODIZXFEOXJUKB-KZNAEPCWSA-N 1 2 328.412 0.626 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)NCc2cn(C3CN(CC#N)C3)nn2)c[nH+]1 ZINC001107182575 757317764 /nfs/dbraw/zinc/31/77/64/757317764.db2.gz XCWACVPVPZZNQZ-UHFFFAOYSA-N 1 2 342.407 0.215 20 30 ECEDLO CCc1onc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001076855691 757398246 /nfs/dbraw/zinc/39/82/46/757398246.db2.gz IDTPNOKWFOASNE-HUUCEWRRSA-N 1 2 343.387 0.720 20 30 ECEDLO CCc1onc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001076855691 757398256 /nfs/dbraw/zinc/39/82/56/757398256.db2.gz IDTPNOKWFOASNE-HUUCEWRRSA-N 1 2 343.387 0.720 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)Cc3c(C)nn(C)c3C)nn2)C1 ZINC001107190571 757437632 /nfs/dbraw/zinc/43/76/32/757437632.db2.gz XSEHZODRZJMLGN-UHFFFAOYSA-N 1 2 343.435 0.530 20 30 ECEDLO CCc1onc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076898694 757518148 /nfs/dbraw/zinc/51/81/48/757518148.db2.gz VWPQZTYWENYZDK-HUUCEWRRSA-N 1 2 343.387 0.720 20 30 ECEDLO CCc1onc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076898694 757518155 /nfs/dbraw/zinc/51/81/55/757518155.db2.gz VWPQZTYWENYZDK-HUUCEWRRSA-N 1 2 343.387 0.720 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H](C)c3cncnc3)nn2)C1 ZINC001107200123 757589453 /nfs/dbraw/zinc/58/94/53/757589453.db2.gz ZFCSUFUCELAYCM-CYBMUJFWSA-N 1 2 341.419 0.921 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3=CCOCC3)C2)s1 ZINC001076920797 757600515 /nfs/dbraw/zinc/60/05/15/757600515.db2.gz ZHVRCKLOFLOKQV-HUUCEWRRSA-N 1 2 333.413 0.628 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3=CCOCC3)C2)s1 ZINC001076920797 757600522 /nfs/dbraw/zinc/60/05/22/757600522.db2.gz ZHVRCKLOFLOKQV-HUUCEWRRSA-N 1 2 333.413 0.628 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)Cn3ccc(C)n3)nn2)C1 ZINC001107212223 757745243 /nfs/dbraw/zinc/74/52/43/757745243.db2.gz UMQQINVXTDUJSE-UHFFFAOYSA-N 1 2 329.408 0.532 20 30 ECEDLO C#CCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)Cn3cc[nH+]c3)C2)CCC1 ZINC001049034723 757750127 /nfs/dbraw/zinc/75/01/27/757750127.db2.gz KEPJWEXPSHZPOH-GJZGRUSLSA-N 1 2 344.415 0.107 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cncs2)C1=O ZINC001032299035 757777697 /nfs/dbraw/zinc/77/76/97/757777697.db2.gz CYWOGRHBQZMCFE-RWMBFGLXSA-N 1 2 332.429 0.829 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cncs2)C1=O ZINC001032299035 757777701 /nfs/dbraw/zinc/77/77/01/757777701.db2.gz CYWOGRHBQZMCFE-RWMBFGLXSA-N 1 2 332.429 0.829 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1cn(C2C[NH+](CCOCC)C2)nn1 ZINC001107211897 757800741 /nfs/dbraw/zinc/80/07/41/757800741.db2.gz DHZDRYNIHOMMDD-CVEARBPZSA-N 1 2 349.435 0.379 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](NC(C)=O)C(C)C)nn2)C1 ZINC001107231882 757949099 /nfs/dbraw/zinc/94/90/99/757949099.db2.gz PKTGJQNTFRPXPQ-OAHLLOKOSA-N 1 2 334.424 0.098 20 30 ECEDLO N#Cc1nccc(NC[C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)n1 ZINC001060318150 762588269 /nfs/dbraw/zinc/58/82/69/762588269.db2.gz YCEJIIABFKZRQM-CQSZACIVSA-N 1 2 339.403 0.919 20 30 ECEDLO N#Cc1nccc(NC[C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)n1 ZINC001060318150 762588272 /nfs/dbraw/zinc/58/82/72/762588272.db2.gz YCEJIIABFKZRQM-CQSZACIVSA-N 1 2 339.403 0.919 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCCCC(N)=O)nn2)C1 ZINC001107227624 757981957 /nfs/dbraw/zinc/98/19/57/757981957.db2.gz NJJLFODWYLVWEY-UHFFFAOYSA-N 1 2 334.424 0.373 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCOC3CCOCC3)nn2)C1 ZINC001107228026 757983490 /nfs/dbraw/zinc/98/34/90/757983490.db2.gz YRQBDSOTTOPRSW-UHFFFAOYSA-N 1 2 349.435 0.523 20 30 ECEDLO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(S(C)(=O)=O)c2)C1 ZINC001077029170 757990898 /nfs/dbraw/zinc/99/08/98/757990898.db2.gz WNQLPYGAWCJKMY-VXGBXAGGSA-N 1 2 328.390 0.034 20 30 ECEDLO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(S(C)(=O)=O)c2)C1 ZINC001077029170 757990903 /nfs/dbraw/zinc/99/09/03/757990903.db2.gz WNQLPYGAWCJKMY-VXGBXAGGSA-N 1 2 328.390 0.034 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCc3cnn(C)c3)nn2)C1 ZINC001107238635 758031829 /nfs/dbraw/zinc/03/18/29/758031829.db2.gz IAHAWCMSKHRMCB-UHFFFAOYSA-N 1 2 329.408 0.303 20 30 ECEDLO C=CCCOCC(=O)NCc1cn(C2C[NH+](CCOCC=C)C2)nn1 ZINC001107240521 758039937 /nfs/dbraw/zinc/03/99/37/758039937.db2.gz BUQXXBBCFPUVMT-UHFFFAOYSA-N 1 2 349.435 0.546 20 30 ECEDLO C=CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001077065901 758078485 /nfs/dbraw/zinc/07/84/85/758078485.db2.gz BDFDGRRTQBONTD-UONOGXRCSA-N 1 2 336.436 0.955 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001049153015 758144420 /nfs/dbraw/zinc/14/44/20/758144420.db2.gz QNOMEGLZJGTUNG-KCXAZCMYSA-N 1 2 348.447 0.893 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@H]2C1 ZINC001049170384 758205678 /nfs/dbraw/zinc/20/56/78/758205678.db2.gz OTCXSIZXRJMZOW-PHIMTYICSA-N 1 2 348.794 0.174 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@H]2C1 ZINC001049170384 758205686 /nfs/dbraw/zinc/20/56/86/758205686.db2.gz OTCXSIZXRJMZOW-PHIMTYICSA-N 1 2 348.794 0.174 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)Cc1c[nH+]ccc1OC ZINC001077146234 758323734 /nfs/dbraw/zinc/32/37/34/758323734.db2.gz KMYCMOJRMXWWDI-AWEZNQCLSA-N 1 2 347.415 0.684 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC(F)(F)F)c2)C1 ZINC001077140958 758326740 /nfs/dbraw/zinc/32/67/40/758326740.db2.gz NKXSUMZCEBJZSM-VXGBXAGGSA-N 1 2 330.310 0.244 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC(F)(F)F)c2)C1 ZINC001077140958 758326746 /nfs/dbraw/zinc/32/67/46/758326746.db2.gz NKXSUMZCEBJZSM-VXGBXAGGSA-N 1 2 330.310 0.244 20 30 ECEDLO N#Cc1ccc(NC/C=C\CNC(=O)[C@H]2CCn3c[nH+]cc3C2)nn1 ZINC001107389331 758415558 /nfs/dbraw/zinc/41/55/58/758415558.db2.gz JBFJKJMUGFTIRL-FYDYADQUSA-N 1 2 337.387 0.892 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H](C)CCNC(=O)Cn2cc[nH+]c2)c1 ZINC001077184898 758442546 /nfs/dbraw/zinc/44/25/46/758442546.db2.gz ZNRVHFVHRUAVJE-ZDUSSCGKSA-N 1 2 325.372 0.584 20 30 ECEDLO 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758841829 /nfs/dbraw/zinc/84/18/29/758841829.db2.gz MJHFSIJIAKMHHH-IIAWOOMASA-N 1 2 334.803 0.828 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)C1 ZINC001077335341 758841836 /nfs/dbraw/zinc/84/18/36/758841836.db2.gz MJHFSIJIAKMHHH-IIAWOOMASA-N 1 2 334.803 0.828 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H]2C)nc1 ZINC001011935975 758998400 /nfs/dbraw/zinc/99/84/00/758998400.db2.gz IMCSQIZVCMNUMN-ZFWWWQNUSA-N 1 2 337.383 0.679 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1nc(=O)n(C)[nH]1 ZINC001049634059 759025371 /nfs/dbraw/zinc/02/53/71/759025371.db2.gz CSSSALDBPWIOOW-CHWSQXEVSA-N 1 2 333.436 0.886 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1nc(=O)n(C)[nH]1 ZINC001049634059 759025379 /nfs/dbraw/zinc/02/53/79/759025379.db2.gz CSSSALDBPWIOOW-CHWSQXEVSA-N 1 2 333.436 0.886 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C3(F)CCCC3)[C@@H](O)C2)C1=O ZINC001083588549 759122374 /nfs/dbraw/zinc/12/23/74/759122374.db2.gz PRRREGNRBNMDAU-RDBSUJKOSA-N 1 2 339.411 0.217 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C3(F)CCCC3)[C@@H](O)C2)C1=O ZINC001083588549 759122378 /nfs/dbraw/zinc/12/23/78/759122378.db2.gz PRRREGNRBNMDAU-RDBSUJKOSA-N 1 2 339.411 0.217 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)c3noc(C)n3)C2)nn1 ZINC001022824970 759147463 /nfs/dbraw/zinc/14/74/63/759147463.db2.gz RAEYEXUZQKVWAW-ZMLRMANQSA-N 1 2 331.380 0.767 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001012008379 759187073 /nfs/dbraw/zinc/18/70/73/759187073.db2.gz MVFXQAGPOOYFNG-ZYHUDNBSSA-N 1 2 326.360 0.571 20 30 ECEDLO C=CCOCC(=O)N1CCC(OC2CN(Cc3c[nH+]cn3C)C2)CC1 ZINC001105696893 759220035 /nfs/dbraw/zinc/22/00/35/759220035.db2.gz HHXDXWKKMAVECL-UHFFFAOYSA-N 1 2 348.447 0.815 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(NC(C)=O)ccc2F)C1 ZINC001047644219 759391516 /nfs/dbraw/zinc/39/15/16/759391516.db2.gz DCNFPOZYUGTSMR-HOTGVXAUSA-N 1 2 333.363 0.534 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(NC(C)=O)ccc2F)C1 ZINC001047644219 759391521 /nfs/dbraw/zinc/39/15/21/759391521.db2.gz DCNFPOZYUGTSMR-HOTGVXAUSA-N 1 2 333.363 0.534 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001012100041 759407171 /nfs/dbraw/zinc/40/71/71/759407171.db2.gz BAQZARYJBUBMJV-GWCFXTLKSA-N 1 2 326.360 0.571 20 30 ECEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)c3cn(C)cn3)CC2)C1 ZINC001105700854 759422755 /nfs/dbraw/zinc/42/27/55/759422755.db2.gz AZAABNSWJWMLEI-UHFFFAOYSA-N 1 2 348.447 0.928 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CCC(OC2C[NH+](CCOC)C2)CC1 ZINC001105704395 759533167 /nfs/dbraw/zinc/53/31/67/759533167.db2.gz VBRCHYAECCHGQT-QGZVFWFLSA-N 1 2 326.437 0.652 20 30 ECEDLO COCCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)CC2(C)C)n1 ZINC000995563796 759777049 /nfs/dbraw/zinc/77/70/49/759777049.db2.gz QCJQFJDBSKBBNT-VXGBXAGGSA-N 1 2 335.408 0.745 20 30 ECEDLO C=CCOCC(=O)NC/C=C/CNc1ncnc2c1C[N@H+](C)CC2 ZINC001107075592 759789276 /nfs/dbraw/zinc/78/92/76/759789276.db2.gz UJGXBVWTOLZFRN-SNAWJCMRSA-N 1 2 331.420 0.751 20 30 ECEDLO C=CCOCC(=O)NC/C=C/CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001107075592 759789283 /nfs/dbraw/zinc/78/92/83/759789283.db2.gz UJGXBVWTOLZFRN-SNAWJCMRSA-N 1 2 331.420 0.751 20 30 ECEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CNC(=O)c3ccoc3)CC2)C1 ZINC001105709818 759860804 /nfs/dbraw/zinc/86/08/04/759860804.db2.gz WPLGGSQMJDBPLB-UHFFFAOYSA-N 1 2 347.415 0.887 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001012444569 760012085 /nfs/dbraw/zinc/01/20/85/760012085.db2.gz CQUBWHSJIIKTOE-WCQYABFASA-N 1 2 340.387 0.582 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001012444571 760012809 /nfs/dbraw/zinc/01/28/09/760012809.db2.gz CQUBWHSJIIKTOE-YPMHNXCESA-N 1 2 340.387 0.582 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H](C)N(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001012490952 760078059 /nfs/dbraw/zinc/07/80/59/760078059.db2.gz XELZNDCOGABMBH-GXFFZTMASA-N 1 2 340.387 0.880 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H]([C@@H](C)NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001050298760 760081308 /nfs/dbraw/zinc/08/13/08/760081308.db2.gz XYTIVGIWTYWJGY-KGLIPLIRSA-N 1 2 334.420 0.898 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H](C)N(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001012497150 760095287 /nfs/dbraw/zinc/09/52/87/760095287.db2.gz INSNHDOBVNHYLE-IINYFYTJSA-N 1 2 340.387 0.880 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001012538341 760227392 /nfs/dbraw/zinc/22/73/92/760227392.db2.gz FHVMJTAIYBOLRD-WCQYABFASA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[NH+](CC(=O)Nc1ccon1)CC2 ZINC001050460195 760300391 /nfs/dbraw/zinc/30/03/91/760300391.db2.gz TUJBZRDNUPJXCO-GFCCVEGCSA-N 1 2 331.376 0.697 20 30 ECEDLO CCc1nnc(C[NH+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)CC2)n1C ZINC001050463493 760307053 /nfs/dbraw/zinc/30/70/53/760307053.db2.gz SNWLLRXLEHYLKM-ZDUSSCGKSA-N 1 2 330.436 0.962 20 30 ECEDLO C[C@H]([NH2+]Cc1cn([C@@H]2CCN(C(=O)C#CC(C)(C)C)C2)nn1)C(N)=O ZINC001098673463 760390412 /nfs/dbraw/zinc/39/04/12/760390412.db2.gz QQJUAYFPCHHBAM-GXTWGEPZSA-N 1 2 346.435 0.064 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCCO3)nn2)C1 ZINC001107120065 760457682 /nfs/dbraw/zinc/45/76/82/760457682.db2.gz UCAGCUXSPVKKPW-HNNXBMFYSA-N 1 2 335.408 0.133 20 30 ECEDLO C[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@H]2CNc2ccncc2C#N)C1 ZINC001060225491 760489723 /nfs/dbraw/zinc/48/97/23/760489723.db2.gz SOQSVEOSDQIZAH-RDJZCZTQSA-N 1 2 343.431 0.499 20 30 ECEDLO C[N@H+]1CCO[C@H](C(=O)N2CCCC[C@H]2CNc2ccncc2C#N)C1 ZINC001060225491 760489728 /nfs/dbraw/zinc/48/97/28/760489728.db2.gz SOQSVEOSDQIZAH-RDJZCZTQSA-N 1 2 343.431 0.499 20 30 ECEDLO C#CCOCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001050579398 760525250 /nfs/dbraw/zinc/52/52/50/760525250.db2.gz BARMRSWVKINRIY-HUUCEWRRSA-N 1 2 346.431 0.735 20 30 ECEDLO C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@@H]1O ZINC001048528066 760666188 /nfs/dbraw/zinc/66/61/88/760666188.db2.gz VHYGKMQJPZQHCK-QEJZJMRPSA-N 1 2 346.431 0.826 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)c2cn(C)nc2CC)C1=O ZINC001038384595 760717046 /nfs/dbraw/zinc/71/70/46/760717046.db2.gz NYYDRWOGQRUHBS-XJKSGUPXSA-N 1 2 345.447 0.574 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)c2cn(C)nc2CC)C1=O ZINC001038384595 760717053 /nfs/dbraw/zinc/71/70/53/760717053.db2.gz NYYDRWOGQRUHBS-XJKSGUPXSA-N 1 2 345.447 0.574 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001050728984 760742209 /nfs/dbraw/zinc/74/22/09/760742209.db2.gz ONMSOOUXIUMJNR-HUUCEWRRSA-N 1 2 346.431 0.735 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001050728982 760742418 /nfs/dbraw/zinc/74/24/18/760742418.db2.gz ONMSOOUXIUMJNR-CABCVRRESA-N 1 2 346.431 0.735 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001050728985 760742643 /nfs/dbraw/zinc/74/26/43/760742643.db2.gz ONMSOOUXIUMJNR-LSDHHAIUSA-N 1 2 346.431 0.735 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H]([C@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001050735794 760755874 /nfs/dbraw/zinc/75/58/74/760755874.db2.gz NHNJTYSOTDJXRA-HOTGVXAUSA-N 1 2 346.431 0.666 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001012910190 760811943 /nfs/dbraw/zinc/81/19/43/760811943.db2.gz VIWZYZDVKBBQAB-SMDDNHRTSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001012910190 760811958 /nfs/dbraw/zinc/81/19/58/760811958.db2.gz VIWZYZDVKBBQAB-SMDDNHRTSA-N 1 2 340.387 0.961 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H](C)N(C(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001013048996 761009401 /nfs/dbraw/zinc/00/94/01/761009401.db2.gz LMBKIUZSBVAVMU-XJKSGUPXSA-N 1 2 337.383 0.679 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)SC)[C@H](OC)C1 ZINC001212143767 761089168 /nfs/dbraw/zinc/08/91/68/761089168.db2.gz PAMUBEBVCJBYPG-JHJVBQTASA-N 1 2 329.466 0.246 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H](C)SC)[C@H](OC)C1 ZINC001212143767 761089176 /nfs/dbraw/zinc/08/91/76/761089176.db2.gz PAMUBEBVCJBYPG-JHJVBQTASA-N 1 2 329.466 0.246 20 30 ECEDLO CN(C(=O)CCc1[nH]cc[nH+]1)[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O ZINC001048769789 761149468 /nfs/dbraw/zinc/14/94/68/761149468.db2.gz QRZVNFNBMLQKRB-KBPBESRZSA-N 1 2 346.431 0.422 20 30 ECEDLO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1c(CC)c(CC)n[nH]c1=O ZINC001050943213 761183276 /nfs/dbraw/zinc/18/32/76/761183276.db2.gz KVHDKLPJJVBLMV-ZDUSSCGKSA-N 1 2 346.431 0.761 20 30 ECEDLO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c(CC)c(CC)n[nH]c1=O ZINC001050943213 761183281 /nfs/dbraw/zinc/18/32/81/761183281.db2.gz KVHDKLPJJVBLMV-ZDUSSCGKSA-N 1 2 346.431 0.761 20 30 ECEDLO CN(C(=O)CCc1[nH+]ccn1C)C1CC(Nc2ccnc(C#N)n2)C1 ZINC001127098304 761239529 /nfs/dbraw/zinc/23/95/29/761239529.db2.gz QIWUXWPMGOIWGT-UHFFFAOYSA-N 1 2 339.403 0.538 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cn2c(n1)COCC2 ZINC001050981886 761270706 /nfs/dbraw/zinc/27/07/06/761270706.db2.gz MRJLECNBDICGPK-CQSZACIVSA-N 1 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ZINC001051030618 761366483 /nfs/dbraw/zinc/36/64/83/761366483.db2.gz BTYWAWHQBFETFI-GJZGRUSLSA-N 1 2 333.436 0.624 20 30 ECEDLO CC#CCN1CCOC[C@H]1CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001051075044 761442020 /nfs/dbraw/zinc/44/20/20/761442020.db2.gz GWYYFOKRGDSACG-MSOLQXFVSA-N 1 2 349.475 0.470 20 30 ECEDLO CC#CCN1CCOC[C@H]1CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001051075044 761442025 /nfs/dbraw/zinc/44/20/25/761442025.db2.gz GWYYFOKRGDSACG-MSOLQXFVSA-N 1 2 349.475 0.470 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccoc1CC(N)=O ZINC001051083697 761458376 /nfs/dbraw/zinc/45/83/76/761458376.db2.gz ILWMFVWTQDRMTG-CYBMUJFWSA-N 1 2 335.404 0.704 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccoc1CC(N)=O ZINC001051083697 761458378 /nfs/dbraw/zinc/45/83/78/761458378.db2.gz ILWMFVWTQDRMTG-CYBMUJFWSA-N 1 2 335.404 0.704 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccnc2c1ncn2C ZINC001051101900 761493567 /nfs/dbraw/zinc/49/35/67/761493567.db2.gz GAQITDXGMPJSQD-CYBMUJFWSA-N 1 2 329.404 0.975 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccnc2c1ncn2C ZINC001051101900 761493575 /nfs/dbraw/zinc/49/35/75/761493575.db2.gz GAQITDXGMPJSQD-CYBMUJFWSA-N 1 2 329.404 0.975 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)c(C(N)=O)cn1 ZINC001051119475 761520990 /nfs/dbraw/zinc/52/09/90/761520990.db2.gz COAKLVOHYKDCBM-ZDUSSCGKSA-N 1 2 332.404 0.496 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)c(C(N)=O)cn1 ZINC001051119475 761520994 /nfs/dbraw/zinc/52/09/94/761520994.db2.gz COAKLVOHYKDCBM-ZDUSSCGKSA-N 1 2 332.404 0.496 20 30 ECEDLO COCc1noc(C[NH2+][C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C)n1 ZINC001054576738 768048554 /nfs/dbraw/zinc/04/85/54/768048554.db2.gz WEJSCNMRZMZOTA-GWCFXTLKSA-N 1 2 344.375 0.666 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(Cn2cccn2)on1 ZINC001051204662 761683753 /nfs/dbraw/zinc/68/37/53/761683753.db2.gz YYKRKTMOFLBMNW-CQSZACIVSA-N 1 2 345.403 0.926 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(Cn2cccn2)on1 ZINC001051204662 761683757 /nfs/dbraw/zinc/68/37/57/761683757.db2.gz YYKRKTMOFLBMNW-CQSZACIVSA-N 1 2 345.403 0.926 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2CC[C@H]2CCOC2)cn1 ZINC001051216289 761706970 /nfs/dbraw/zinc/70/69/70/761706970.db2.gz FNUSFOYNQLOYIH-MAUKXSAKSA-N 1 2 343.427 0.920 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2CC[C@H]2CCOC2)cn1 ZINC001051216289 761706974 /nfs/dbraw/zinc/70/69/74/761706974.db2.gz FNUSFOYNQLOYIH-MAUKXSAKSA-N 1 2 343.427 0.920 20 30 ECEDLO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc2c([nH]c1=O)CCC2 ZINC001051240529 761741877 /nfs/dbraw/zinc/74/18/77/761741877.db2.gz GUYVLIMWNHCTFN-AWEZNQCLSA-N 1 2 329.400 0.730 20 30 ECEDLO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc2c([nH]c1=O)CCC2 ZINC001051240529 761741882 /nfs/dbraw/zinc/74/18/82/761741882.db2.gz GUYVLIMWNHCTFN-AWEZNQCLSA-N 1 2 329.400 0.730 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001051252863 761769502 /nfs/dbraw/zinc/76/95/02/761769502.db2.gz XGPYULHCWIBFDX-GJZGRUSLSA-N 1 2 346.431 0.356 20 30 ECEDLO CC(C)C#CC(=O)N[C@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001051261711 761786144 /nfs/dbraw/zinc/78/61/44/761786144.db2.gz UKALKSXPSIQRON-CABCVRRESA-N 1 2 330.432 0.975 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(C(N)=O)nc1 ZINC001051269322 761798514 /nfs/dbraw/zinc/79/85/14/761798514.db2.gz SHDLPMQKALMSIT-CQSZACIVSA-N 1 2 332.404 0.577 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(C(N)=O)nc1 ZINC001051269322 761798516 /nfs/dbraw/zinc/79/85/16/761798516.db2.gz SHDLPMQKALMSIT-CQSZACIVSA-N 1 2 332.404 0.577 20 30 ECEDLO N#Cc1cnc(N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](O)C2)c(F)c1 ZINC001051700200 762729047 /nfs/dbraw/zinc/72/90/47/762729047.db2.gz KIEKINUMDFXHED-ZIAGYGMSSA-N 1 2 344.350 0.045 20 30 ECEDLO CN1C[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CC1=O ZINC001014619684 762915408 /nfs/dbraw/zinc/91/54/08/762915408.db2.gz VOQWCGIPGNBXRK-GJZGRUSLSA-N 1 2 344.390 0.866 20 30 ECEDLO CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CC1=O ZINC001014619684 762915412 /nfs/dbraw/zinc/91/54/12/762915412.db2.gz VOQWCGIPGNBXRK-GJZGRUSLSA-N 1 2 344.390 0.866 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCN(c3cc[nH+]c(C)n3)C[C@@H]2O)c1 ZINC001051781261 762938544 /nfs/dbraw/zinc/93/85/44/762938544.db2.gz OYEZCAMXCOFHHD-HOTGVXAUSA-N 1 2 337.383 0.531 20 30 ECEDLO Cc1ccc(C#N)c(N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](O)C2)n1 ZINC001051790828 762974559 /nfs/dbraw/zinc/97/45/59/762974559.db2.gz YLPOZWGYYURQMI-HUUCEWRRSA-N 1 2 340.387 0.283 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)C[C@@H]3CCNC3=O)C2)c1 ZINC001014711178 763025377 /nfs/dbraw/zinc/02/53/77/763025377.db2.gz MCPCTEIQJAYTCL-DZGCQCFKSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)C[C@@H]3CCNC3=O)C2)c1 ZINC001014711178 763025383 /nfs/dbraw/zinc/02/53/83/763025383.db2.gz MCPCTEIQJAYTCL-DZGCQCFKSA-N 1 2 344.390 0.914 20 30 ECEDLO C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001046793445 763128958 /nfs/dbraw/zinc/12/89/58/763128958.db2.gz QNECKTQLACKYSA-ZIAGYGMSSA-N 1 2 344.415 0.017 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]2O)C1 ZINC000991745680 763153517 /nfs/dbraw/zinc/15/35/17/763153517.db2.gz HNSGEYLATYVRHT-KGLIPLIRSA-N 1 2 346.431 0.777 20 30 ECEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@H]1OC ZINC001212347011 763162430 /nfs/dbraw/zinc/16/24/30/763162430.db2.gz OERSPQDFIWMECU-HUUCEWRRSA-N 1 2 339.436 0.017 20 30 ECEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1OC ZINC001212347011 763162438 /nfs/dbraw/zinc/16/24/38/763162438.db2.gz OERSPQDFIWMECU-HUUCEWRRSA-N 1 2 339.436 0.017 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCCn3cccn3)C2)nn1 ZINC001098784414 768118040 /nfs/dbraw/zinc/11/80/40/768118040.db2.gz FSVCJTUVOXQFDN-MRXNPFEDSA-N 1 2 341.419 0.451 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@H](C)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106305029 768118152 /nfs/dbraw/zinc/11/81/52/768118152.db2.gz UMJZHCQGHYOKIM-BZNIZROVSA-N 1 2 336.440 0.880 20 30 ECEDLO N#Cc1ccccc1C[NH2+]C[C@H]1CN(C(=O)Cc2ncn[nH]2)CCO1 ZINC001051895906 763253923 /nfs/dbraw/zinc/25/39/23/763253923.db2.gz CDLXPNXEJXMTSJ-HNNXBMFYSA-N 1 2 340.387 0.236 20 30 ECEDLO Cn1c(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)c[nH]c1=O ZINC001031898689 763434619 /nfs/dbraw/zinc/43/46/19/763434619.db2.gz MEVHAMAJHNVRCK-UHFFFAOYSA-N 1 2 343.362 0.998 20 30 ECEDLO C=CCN1CC[C@H](N2CC[NH+]([C@H]3CCN(C(=O)CC)C3)CC2)C1=O ZINC001051957312 763449514 /nfs/dbraw/zinc/44/95/14/763449514.db2.gz DYFTYJUQRYUJIK-HOTGVXAUSA-N 1 2 334.464 0.402 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCN([C@H]3CCN(C(=O)CC)C3)CC2)C1=O ZINC001051957312 763449518 /nfs/dbraw/zinc/44/95/18/763449518.db2.gz DYFTYJUQRYUJIK-HOTGVXAUSA-N 1 2 334.464 0.402 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@]3(C)CCCOC3)C2)nn1 ZINC001098756741 763530535 /nfs/dbraw/zinc/53/05/35/763530535.db2.gz CVCSOHRSECCYEH-WBVHZDCISA-N 1 2 331.420 0.591 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(CCc3ccnn3C)CC2)C1 ZINC001051998285 763551302 /nfs/dbraw/zinc/55/13/02/763551302.db2.gz QZEQVNKVGCDTRE-DOTOQJQBSA-N 1 2 344.463 0.341 20 30 ECEDLO C=CCOc1ccccc1C(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001014981173 763605553 /nfs/dbraw/zinc/60/55/53/763605553.db2.gz QCOTVDZEJRALGU-ZFWWWQNUSA-N 1 2 329.400 0.944 20 30 ECEDLO C=CCOc1ccccc1C(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001014981173 763605563 /nfs/dbraw/zinc/60/55/63/763605563.db2.gz QCOTVDZEJRALGU-ZFWWWQNUSA-N 1 2 329.400 0.944 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccn(C(F)F)n3)C2)CC1 ZINC001052033821 763638303 /nfs/dbraw/zinc/63/83/03/763638303.db2.gz VONSUBROMDGUQE-ZDUSSCGKSA-N 1 2 337.374 0.744 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccn(C(F)F)n3)C2)CC1 ZINC001052033821 763638309 /nfs/dbraw/zinc/63/83/09/763638309.db2.gz VONSUBROMDGUQE-ZDUSSCGKSA-N 1 2 337.374 0.744 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC(=O)N(CC)C3)C2)CC1 ZINC001052035870 763644971 /nfs/dbraw/zinc/64/49/71/763644971.db2.gz SDOHGDURUPVICN-IRXDYDNUSA-N 1 2 346.475 0.097 20 30 ECEDLO Cn1nc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)cc1C1CC1 ZINC001052035839 763645480 /nfs/dbraw/zinc/64/54/80/763645480.db2.gz RKFXLKORGSMFHW-OAHLLOKOSA-N 1 2 342.447 0.653 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(CC)C3)C2)CC1 ZINC001052035934 763645959 /nfs/dbraw/zinc/64/59/59/763645959.db2.gz UQZBYTOHZVYBBC-DLBZAZTESA-N 1 2 348.491 0.649 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc4n(n3)CCC4)C2)CC1 ZINC001052036019 763646536 /nfs/dbraw/zinc/64/65/36/763646536.db2.gz XCWXMSCJSVIFDU-QGZVFWFLSA-N 1 2 341.459 0.685 20 30 ECEDLO COCc1cncc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)c1 ZINC001052037361 763654986 /nfs/dbraw/zinc/65/49/86/763654986.db2.gz LJDRDPVRQOCNPV-QGZVFWFLSA-N 1 2 343.431 0.584 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCn4nccc43)C2)CC1 ZINC001052044979 763681236 /nfs/dbraw/zinc/68/12/36/763681236.db2.gz PFKWIOAICASOAI-IAGOWNOFSA-N 1 2 341.459 0.612 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn(CCF)c3)C2)CC1 ZINC001052045414 763682319 /nfs/dbraw/zinc/68/23/19/763682319.db2.gz SHGRUZPRDQVJFU-INIZCTEOSA-N 1 2 335.427 0.871 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001212185534 763684993 /nfs/dbraw/zinc/68/49/93/763684993.db2.gz WIRGAYXOPQOCII-RBSFLKMASA-N 1 2 337.464 0.909 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001212185534 763684998 /nfs/dbraw/zinc/68/49/98/763684998.db2.gz WIRGAYXOPQOCII-RBSFLKMASA-N 1 2 337.464 0.909 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccc4ncnn43)C2)CC1 ZINC001052047281 763690133 /nfs/dbraw/zinc/69/01/33/763690133.db2.gz LBDIDMDPZJPMFY-OAHLLOKOSA-N 1 2 338.415 0.195 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)C(=O)Nc3ccccc3)C2)CC1 ZINC001052048215 763695468 /nfs/dbraw/zinc/69/54/68/763695468.db2.gz ODIAGJVOTZVQHB-MRXNPFEDSA-N 1 2 341.415 0.367 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn(C)c3CCC)C2)CC1 ZINC001052048558 763698099 /nfs/dbraw/zinc/69/80/99/763698099.db2.gz XOWPEVSSDXXIDW-MRXNPFEDSA-N 1 2 343.475 0.838 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ncc(OC)cn3)C2)CC1 ZINC001052049154 763700147 /nfs/dbraw/zinc/70/01/47/763700147.db2.gz IHTNAHSMLAMUNE-HNNXBMFYSA-N 1 2 343.431 0.341 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3CCCC(=O)N3)C2)CC1 ZINC001052049416 763701148 /nfs/dbraw/zinc/70/11/48/763701148.db2.gz LFYFMKFYQIHAHJ-IRXDYDNUSA-N 1 2 348.491 0.840 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C2)CC1 ZINC001052050796 763708318 /nfs/dbraw/zinc/70/83/18/763708318.db2.gz ZKXKVXKUCBRBIK-HNNXBMFYSA-N 1 2 343.431 0.131 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C2)CC1 ZINC001052050796 763708325 /nfs/dbraw/zinc/70/83/25/763708325.db2.gz ZKXKVXKUCBRBIK-HNNXBMFYSA-N 1 2 343.431 0.131 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnc4nccn4c3)C2)CC1 ZINC001052052510 763715943 /nfs/dbraw/zinc/71/59/43/763715943.db2.gz OPCQWWJOHCYRNC-MRXNPFEDSA-N 1 2 338.415 0.195 20 30 ECEDLO N#Cc1ccc(NC[C@H](O)CNC(=O)[C@H]2CCc3c[nH+]cn3C2)cn1 ZINC001106015407 763716785 /nfs/dbraw/zinc/71/67/85/763716785.db2.gz IVMMFIRNGJRGDH-LRDDRELGSA-N 1 2 340.387 0.301 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCCN1C(=O)c1c[nH]c(C#N)c1 ZINC001015036980 763720659 /nfs/dbraw/zinc/72/06/59/763720659.db2.gz SXNKWOSORKGCBM-DOMZBBRYSA-N 1 2 340.387 0.892 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3ccn(C(C)C)n3)C2)CC1 ZINC001052055501 763724932 /nfs/dbraw/zinc/72/49/32/763724932.db2.gz MZZALMKFFHKQAJ-SFHVURJKSA-N 1 2 343.475 0.858 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3coc(C(N)=O)c3)C2)CC1 ZINC001052056597 763728799 /nfs/dbraw/zinc/72/87/99/763728799.db2.gz FXABCVCKQVPHHM-HNNXBMFYSA-N 1 2 344.415 0.234 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccn4nnnc4c3)C2)CC1 ZINC001052060267 763739756 /nfs/dbraw/zinc/73/97/56/763739756.db2.gz BBYNGFVDALRUFR-HNNXBMFYSA-N 1 2 341.419 0.142 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(OC)ccn3)C2)CC1 ZINC001052061478 763744573 /nfs/dbraw/zinc/74/45/73/763744573.db2.gz ZAGWRSZTFWIZCH-INIZCTEOSA-N 1 2 342.443 0.946 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc4nonc4c3)C2)CC1 ZINC001052074149 763779471 /nfs/dbraw/zinc/77/94/71/763779471.db2.gz VCARQADOWYRLEI-AWEZNQCLSA-N 1 2 340.387 0.578 20 30 ECEDLO CC(C)(C)n1cnc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052082017 763801194 /nfs/dbraw/zinc/80/11/94/763801194.db2.gz IDBUVWYYRVHTGC-CQSZACIVSA-N 1 2 345.451 0.389 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn(CCC=C)nn3)C2)CC1 ZINC001052095916 763845592 /nfs/dbraw/zinc/84/55/92/763845592.db2.gz BNSAGPAWPRAYAP-INIZCTEOSA-N 1 2 342.447 0.320 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cn(CCC=C)nn3)C2)CC1 ZINC001052095916 763845602 /nfs/dbraw/zinc/84/56/02/763845602.db2.gz BNSAGPAWPRAYAP-INIZCTEOSA-N 1 2 342.447 0.320 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCN(CCO)CC2)C1 ZINC001052096127 763846542 /nfs/dbraw/zinc/84/65/42/763846542.db2.gz FKIOEAHMWSQCTK-IKGGRYGDSA-N 1 2 337.464 0.178 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn(CCC)nn3)C2)CC1 ZINC001052102618 763866901 /nfs/dbraw/zinc/86/69/01/763866901.db2.gz FXXZLANDWGGFRZ-OAHLLOKOSA-N 1 2 332.452 0.706 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCCCN(C)C3=O)C2)CC1 ZINC001052106231 763880135 /nfs/dbraw/zinc/88/01/35/763880135.db2.gz GDQDTWOXBKWJCE-DLBZAZTESA-N 1 2 346.475 0.097 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@@H](C)COC)C2)nn1 ZINC001098761232 763906951 /nfs/dbraw/zinc/90/69/51/763906951.db2.gz CVTXBTSUGWFFBY-GDBMZVCRSA-N 1 2 333.436 0.837 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)C2)CC1 ZINC001052112849 763909090 /nfs/dbraw/zinc/90/90/90/763909090.db2.gz GFRKJOVKMFMYCW-MSOLQXFVSA-N 1 2 346.475 0.097 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc4n[nH]nc4c3)C2)CC1 ZINC001052117163 763926704 /nfs/dbraw/zinc/92/67/04/763926704.db2.gz HXEVLVYBRZWLJH-HNNXBMFYSA-N 1 2 338.415 0.423 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)N3CCCCC3=O)C2)CC1 ZINC001052119063 763935136 /nfs/dbraw/zinc/93/51/36/763935136.db2.gz ISNOJLJCHPTUHO-IAGOWNOFSA-N 1 2 346.475 0.239 20 30 ECEDLO CN(C)c1ccc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)nc1 ZINC001052123369 763948177 /nfs/dbraw/zinc/94/81/77/763948177.db2.gz FZTFJJGMBMLFHQ-INIZCTEOSA-N 1 2 342.447 0.503 20 30 ECEDLO CCOc1cccnc1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052126018 763954696 /nfs/dbraw/zinc/95/46/96/763954696.db2.gz GBFAQUSCZCUSEI-OAHLLOKOSA-N 1 2 343.431 0.836 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)CCc3cn(C)nn3)C2)CC1 ZINC001052125731 763954988 /nfs/dbraw/zinc/95/49/88/763954988.db2.gz ZGTFNMIJJRDYLK-KRWDZBQOSA-N 1 2 346.479 0.542 20 30 ECEDLO CN(C(=O)c1cnsn1)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047311731 763957689 /nfs/dbraw/zinc/95/76/89/763957689.db2.gz BTPHLFSIEVKXEV-STQMWFEESA-N 1 2 349.441 0.789 20 30 ECEDLO CN(C(=O)c1cnsn1)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047311731 763957693 /nfs/dbraw/zinc/95/76/93/763957693.db2.gz BTPHLFSIEVKXEV-STQMWFEESA-N 1 2 349.441 0.789 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1C(=O)c1c[nH]c(C#N)c1 ZINC001015258588 764259204 /nfs/dbraw/zinc/25/92/04/764259204.db2.gz AHXRPBWXALTGDE-ABAIWWIYSA-N 1 2 340.387 0.961 20 30 ECEDLO C=CCCn1cc(C(=O)NCC2C[NH+](Cc3cc(C)ncn3)C2)nn1 ZINC001032042342 764267354 /nfs/dbraw/zinc/26/73/54/764267354.db2.gz ZDRCRKDYDVBOEI-UHFFFAOYSA-N 1 2 341.419 0.814 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106066345 764275071 /nfs/dbraw/zinc/27/50/71/764275071.db2.gz BYYFJIGISDCRTR-WCQYABFASA-N 1 2 336.440 0.737 20 30 ECEDLO C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001047434968 764335772 /nfs/dbraw/zinc/33/57/72/764335772.db2.gz CTFRPKOWXWTZFJ-SNPRPXQTSA-N 1 2 338.839 0.702 20 30 ECEDLO CN(CCOCCNc1ncc(C#N)cc1F)C(=O)Cn1cc[nH+]c1 ZINC001127329203 768209982 /nfs/dbraw/zinc/20/99/82/768209982.db2.gz VXETWQQVIDOUCS-UHFFFAOYSA-N 1 2 346.366 0.876 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001015395708 764521061 /nfs/dbraw/zinc/52/10/61/764521061.db2.gz FIVDNVJKMYRSHH-NWDGAFQWSA-N 1 2 337.798 0.895 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001015395708 764521068 /nfs/dbraw/zinc/52/10/68/764521068.db2.gz FIVDNVJKMYRSHH-NWDGAFQWSA-N 1 2 337.798 0.895 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C2CCCC2)CCNC1=O ZINC001017631409 768219897 /nfs/dbraw/zinc/21/98/97/768219897.db2.gz JADSBBVTYGTTMC-JTDSTZFVSA-N 1 2 329.444 0.991 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C2CCCC2)CCNC1=O ZINC001017631409 768219901 /nfs/dbraw/zinc/21/99/01/768219901.db2.gz JADSBBVTYGTTMC-JTDSTZFVSA-N 1 2 329.444 0.991 20 30 ECEDLO C=C1CCC(C(=O)N(C)[C@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)C[C@@H]2O)CC1 ZINC001047513217 764556802 /nfs/dbraw/zinc/55/68/02/764556802.db2.gz FPDFCFGRJZEOEF-COXVUDFISA-N 1 2 349.475 0.903 20 30 ECEDLO C=C1CCC(C(=O)N(C)[C@H]2C[N@@H+]([C@H](C)C(=O)NC3CC3)C[C@@H]2O)CC1 ZINC001047513217 764556809 /nfs/dbraw/zinc/55/68/09/764556809.db2.gz FPDFCFGRJZEOEF-COXVUDFISA-N 1 2 349.475 0.903 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC001047545699 764651783 /nfs/dbraw/zinc/65/17/83/764651783.db2.gz VRQUMFAPXNCGDC-QWRGUYRKSA-N 1 2 330.310 0.189 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC001047545699 764651787 /nfs/dbraw/zinc/65/17/87/764651787.db2.gz VRQUMFAPXNCGDC-QWRGUYRKSA-N 1 2 330.310 0.189 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NC[C@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001106079887 764684373 /nfs/dbraw/zinc/68/43/73/764684373.db2.gz FEEPNASJBPWLFG-BDJLRTHQSA-N 1 2 332.408 0.855 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001015473178 764719386 /nfs/dbraw/zinc/71/93/86/764719386.db2.gz IHLNARRYVYRONI-OCCSQVGLSA-N 1 2 340.387 0.798 20 30 ECEDLO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001052547957 764731875 /nfs/dbraw/zinc/73/18/75/764731875.db2.gz LAYAEOVLTKDDFM-HIFRSBDPSA-N 1 2 328.416 0.587 20 30 ECEDLO CN(C(=O)c1cccnn1)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047573539 764736692 /nfs/dbraw/zinc/73/66/92/764736692.db2.gz PWNWZSPVZSYSSI-ROUUACIJSA-N 1 2 336.395 0.645 20 30 ECEDLO CN(C(=O)c1cccnn1)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047573539 764736697 /nfs/dbraw/zinc/73/66/97/764736697.db2.gz PWNWZSPVZSYSSI-ROUUACIJSA-N 1 2 336.395 0.645 20 30 ECEDLO C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001052555520 764749492 /nfs/dbraw/zinc/74/94/92/764749492.db2.gz ZALTVTPAMJZVFO-DZGCQCFKSA-N 1 2 328.416 0.966 20 30 ECEDLO C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001052555520 764749501 /nfs/dbraw/zinc/74/95/01/764749501.db2.gz ZALTVTPAMJZVFO-DZGCQCFKSA-N 1 2 328.416 0.966 20 30 ECEDLO C#CCOCCC(=O)N1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001052598758 764827277 /nfs/dbraw/zinc/82/72/77/764827277.db2.gz IVMFENFEZHBRCC-HUUCEWRRSA-N 1 2 346.431 0.593 20 30 ECEDLO C#CCOCCC(=O)N1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001052598758 764827284 /nfs/dbraw/zinc/82/72/84/764827284.db2.gz IVMFENFEZHBRCC-HUUCEWRRSA-N 1 2 346.431 0.593 20 30 ECEDLO C=CCOCC(=O)N(C)C[C@@H](O)CN(C)c1nc(C)[nH+]c(C)c1C ZINC001124988810 764868603 /nfs/dbraw/zinc/86/86/03/764868603.db2.gz NKGCYOVBBIEZLO-OAHLLOKOSA-N 1 2 336.436 0.860 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](n3cc(C[NH2+]CCF)nn3)C2)nc1 ZINC001098773539 764887547 /nfs/dbraw/zinc/88/75/47/764887547.db2.gz FBZBTIAKPWKZGW-HNNXBMFYSA-N 1 2 342.378 0.801 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(C)(C)C)C2)nn1 ZINC001098773580 764897293 /nfs/dbraw/zinc/89/72/93/764897293.db2.gz GDTBCKJENWPVJE-CQSZACIVSA-N 1 2 348.451 0.489 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2OC)C[C@H]1OC ZINC001212194894 764906175 /nfs/dbraw/zinc/90/61/75/764906175.db2.gz ZNXLXKVHNHVISI-RKVPGOIHSA-N 1 2 349.431 0.733 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2cccnc2OC)C[C@H]1OC ZINC001212194894 764906183 /nfs/dbraw/zinc/90/61/83/764906183.db2.gz ZNXLXKVHNHVISI-RKVPGOIHSA-N 1 2 349.431 0.733 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn2c(n1)C[C@@H](OC)CC2 ZINC001017653973 768256121 /nfs/dbraw/zinc/25/61/21/768256121.db2.gz XMQXDPIYNOZZLF-ZNMIVQPWSA-N 1 2 328.416 0.766 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn2c(n1)C[C@@H](OC)CC2 ZINC001017653973 768256126 /nfs/dbraw/zinc/25/61/26/768256126.db2.gz XMQXDPIYNOZZLF-ZNMIVQPWSA-N 1 2 328.416 0.766 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cnc(F)cn2)C1 ZINC001052728356 765048393 /nfs/dbraw/zinc/04/83/93/765048393.db2.gz VDIZWJQRZQNBGI-QJPTWQEYSA-N 1 2 343.366 0.915 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1CNC(=O)CSCC#N ZINC001052812706 765166473 /nfs/dbraw/zinc/16/64/73/765166473.db2.gz ASZMTMPFAGTLFY-STQMWFEESA-N 1 2 349.460 0.810 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1CNC(=O)CSCC#N ZINC001052812706 765166477 /nfs/dbraw/zinc/16/64/77/765166477.db2.gz ASZMTMPFAGTLFY-STQMWFEESA-N 1 2 349.460 0.810 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000992063131 765336181 /nfs/dbraw/zinc/33/61/81/765336181.db2.gz QQBHLWISNROZJA-KGLIPLIRSA-N 1 2 332.404 0.651 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001015816822 765379657 /nfs/dbraw/zinc/37/96/57/765379657.db2.gz PPCAIYHVHINAPZ-ZOBUZTSGSA-N 1 2 335.448 0.827 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001015816822 765379665 /nfs/dbraw/zinc/37/96/65/765379665.db2.gz PPCAIYHVHINAPZ-ZOBUZTSGSA-N 1 2 335.448 0.827 20 30 ECEDLO C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001127338599 768293354 /nfs/dbraw/zinc/29/33/54/768293354.db2.gz GLBGCGJMTLFLFX-AWEZNQCLSA-N 1 2 345.447 0.736 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3nccnc3C)C[C@H]2O)cc1 ZINC001077493698 765584693 /nfs/dbraw/zinc/58/46/93/765584693.db2.gz GXGINNGFJMJSFU-QZTJIDSGSA-N 1 2 336.395 0.741 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3nccnc3C)C[C@H]2O)cc1 ZINC001077493698 765584699 /nfs/dbraw/zinc/58/46/99/765584699.db2.gz GXGINNGFJMJSFU-QZTJIDSGSA-N 1 2 336.395 0.741 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(OC)nn3)C2)cn1 ZINC001016025893 765730175 /nfs/dbraw/zinc/73/01/75/765730175.db2.gz CEUYOHBARXLHTN-HNNXBMFYSA-N 1 2 337.383 0.866 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(OC)nn3)C2)cn1 ZINC001016025893 765730178 /nfs/dbraw/zinc/73/01/78/765730178.db2.gz CEUYOHBARXLHTN-HNNXBMFYSA-N 1 2 337.383 0.866 20 30 ECEDLO N#Cc1cnc(NC[C@H](O)CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)cn1 ZINC001106104110 765754651 /nfs/dbraw/zinc/75/46/51/765754651.db2.gz HPOPPHOXIFWMLW-RYUDHWBXSA-N 1 2 341.375 0.080 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cn1cc(C3CC3)nn1)CCO2 ZINC001053287247 765910474 /nfs/dbraw/zinc/91/04/74/765910474.db2.gz QMZCYMFADMAALU-UHFFFAOYSA-N 1 2 331.420 0.645 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cnc3[nH]c(=O)[nH]c3c1)CCO2 ZINC001053324256 765973124 /nfs/dbraw/zinc/97/31/24/765973124.db2.gz XWBJGNYYXMKTSP-UHFFFAOYSA-N 1 2 343.387 0.766 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccnc3c1CC(=O)N3)CCO2 ZINC001053326325 765977692 /nfs/dbraw/zinc/97/76/92/765977692.db2.gz BRNUDWMAEXDGJC-UHFFFAOYSA-N 1 2 342.399 0.679 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2CC(NC(=O)Cc3c[nH]c[nH+]3)C2)cn1 ZINC000992266005 766102744 /nfs/dbraw/zinc/10/27/44/766102744.db2.gz GFGHMQSFYRQOSM-UHFFFAOYSA-N 1 2 337.383 0.653 20 30 ECEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@@H]3COC(=O)N3)C2)c1 ZINC001031647375 766333396 /nfs/dbraw/zinc/33/33/96/766333396.db2.gz LJFDJZJVILXAHT-AWEZNQCLSA-N 1 2 332.335 0.354 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCN(C)C(=O)C1)O2 ZINC001053618995 766448164 /nfs/dbraw/zinc/44/81/64/766448164.db2.gz ICHZAOLJCUKSNH-GJZGRUSLSA-N 1 2 335.448 0.781 20 30 ECEDLO C#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCn3cc[nH+]c3C1)O2 ZINC001053619707 766450466 /nfs/dbraw/zinc/45/04/66/766450466.db2.gz VDIDCOJCDGBYDW-CABCVRRESA-N 1 2 328.416 0.428 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCN(C(C)=O)C1)O2 ZINC001053625988 766467663 /nfs/dbraw/zinc/46/76/63/766467663.db2.gz KWOSUZSZFBGZSR-JKSUJKDBSA-N 1 2 335.448 0.781 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCc2sc(C[NH2+][C@@H]3CCNC3=O)nc2C1 ZINC001089273929 766470626 /nfs/dbraw/zinc/47/06/26/766470626.db2.gz KNRMRGWZXPYXMW-VHSXEESVSA-N 1 2 333.417 0.166 20 30 ECEDLO O=C(C#CC1CC1)N1CCc2sc(C[NH2+][C@H]3CCNC3=O)nc2C1 ZINC001089274837 766473639 /nfs/dbraw/zinc/47/36/39/766473639.db2.gz CXRCLGVGQLFGQP-LBPRGKRZSA-N 1 2 344.440 0.419 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc3n(n1)CCCO3)O2 ZINC001053631392 766479104 /nfs/dbraw/zinc/47/91/04/766479104.db2.gz WGVWZIPDEWJLPB-ZDUSSCGKSA-N 1 2 332.404 0.815 20 30 ECEDLO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCc3n[nH]nc3C1)O2 ZINC001053686595 766589037 /nfs/dbraw/zinc/58/90/37/766589037.db2.gz UMWCVRNCUFILRY-KGLIPLIRSA-N 1 2 343.431 0.283 20 30 ECEDLO C[C@H](CC(=O)NC[C@H](O)CNc1cnc(C#N)cn1)n1cc[nH+]c1 ZINC001106131614 766591084 /nfs/dbraw/zinc/59/10/84/766591084.db2.gz GGKCKRGFBRCDSE-DGCLKSJQSA-N 1 2 329.364 0.085 20 30 ECEDLO C=CCOc1cccnc1C(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001053687303 766591320 /nfs/dbraw/zinc/59/13/20/766591320.db2.gz NMWUMOJZRWZKHU-AWEZNQCLSA-N 1 2 347.415 0.602 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCC(=O)N1C)O2 ZINC001053693642 766602535 /nfs/dbraw/zinc/60/25/35/766602535.db2.gz HJRXOFYUFXKCLR-HUUCEWRRSA-N 1 2 335.448 0.923 20 30 ECEDLO Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)C[C@@H](C)n2cc[nH+]c2)n1 ZINC001106132081 766603921 /nfs/dbraw/zinc/60/39/21/766603921.db2.gz RUYABXVJXQFPFG-OCCSQVGLSA-N 1 2 343.391 0.394 20 30 ECEDLO C[C@@H](CC(=O)NC[C@H](O)CNc1ccc(C#N)nc1)n1cc[nH+]c1 ZINC001106132399 766620432 /nfs/dbraw/zinc/62/04/32/766620432.db2.gz ZVBMBSYIQIPDRA-SWLSCSKDSA-N 1 2 328.376 0.690 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3c(C)noc3C)C2)nn1 ZINC001098779161 766622920 /nfs/dbraw/zinc/62/29/20/766622920.db2.gz FNJNFRSKAUQJDG-OAHLLOKOSA-N 1 2 342.403 0.622 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)O2 ZINC001053702676 766625278 /nfs/dbraw/zinc/62/52/78/766625278.db2.gz APWNZIZXNJTQDB-ZDUSSCGKSA-N 1 2 330.388 0.330 20 30 ECEDLO CCc1nnc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)o1 ZINC001046011548 766635414 /nfs/dbraw/zinc/63/54/14/766635414.db2.gz DTWXGZKQQSBHRD-KBPBESRZSA-N 1 2 346.435 0.510 20 30 ECEDLO CCc1nnc(C[N@H+]2CC[C@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)o1 ZINC001046011548 766635419 /nfs/dbraw/zinc/63/54/19/766635419.db2.gz DTWXGZKQQSBHRD-KBPBESRZSA-N 1 2 346.435 0.510 20 30 ECEDLO CCn1ncnc1CN1CC[C@@H]([NH+]2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001046011922 766638046 /nfs/dbraw/zinc/63/80/46/766638046.db2.gz IRBUKYARUUJLOB-LSDHHAIUSA-N 1 2 345.451 0.176 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cn(C4CCC4)nn3)CC2)C1 ZINC001046030414 766697244 /nfs/dbraw/zinc/69/72/44/766697244.db2.gz QXSQXTIDNZLHEA-HNNXBMFYSA-N 1 2 343.435 0.359 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3ccn(C(F)F)n3)CC2)C1 ZINC001046033703 766710253 /nfs/dbraw/zinc/71/02/53/766710253.db2.gz ZEAKPFARMZPEKT-GFCCVEGCSA-N 1 2 338.362 0.634 20 30 ECEDLO Cc1c(CCC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)cnn1C ZINC001046033894 766711007 /nfs/dbraw/zinc/71/10/07/766711007.db2.gz LPZRTQFPLQEDJW-QGZVFWFLSA-N 1 2 344.463 0.403 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3CCc4nccn4C3)CC2)C1 ZINC001046040040 766745303 /nfs/dbraw/zinc/74/53/03/766745303.db2.gz DQPYMSIRBMRYDF-CVEARBPZSA-N 1 2 342.447 0.188 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)Cc3ccc(=O)[nH]c3)CC2)C1 ZINC001046043293 766760402 /nfs/dbraw/zinc/76/04/02/766760402.db2.gz AYEJMUDQTQTWDG-HNNXBMFYSA-N 1 2 329.404 0.072 20 30 ECEDLO Cc1ccn([C@H](C)CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)n1 ZINC001046050655 766787196 /nfs/dbraw/zinc/78/71/96/766787196.db2.gz MZZSPOWVKYXMGC-SJORKVTESA-N 1 2 344.463 0.885 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)Cc3ncccc3F)CC2)C1 ZINC001046054850 766803060 /nfs/dbraw/zinc/80/30/60/766803060.db2.gz QOXXCWQQSMJKCV-CQSZACIVSA-N 1 2 331.395 0.505 20 30 ECEDLO C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C(F)F)[nH]n3)CC2)C1 ZINC001046060474 766826548 /nfs/dbraw/zinc/82/65/48/766826548.db2.gz AJTHOPLKTNUCIX-GFCCVEGCSA-N 1 2 337.374 0.813 20 30 ECEDLO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C(F)F)[nH]n3)CC2)C1 ZINC001046060474 766826557 /nfs/dbraw/zinc/82/65/57/766826557.db2.gz AJTHOPLKTNUCIX-GFCCVEGCSA-N 1 2 337.374 0.813 20 30 ECEDLO CC(C)c1cc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)[nH]n1 ZINC001046065284 766849772 /nfs/dbraw/zinc/84/97/72/766849772.db2.gz JWTVKTLZCPHFFQ-AWEZNQCLSA-N 1 2 330.436 0.889 20 30 ECEDLO Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046072040 766878474 /nfs/dbraw/zinc/87/84/74/766878474.db2.gz PPIVWAKSJRVAHN-XJKSGUPXSA-N 1 2 344.463 0.872 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)CCc3ncccn3)CC2)C1 ZINC001046072928 766884188 /nfs/dbraw/zinc/88/41/88/766884188.db2.gz RBTSGHLPMXFHMG-HNNXBMFYSA-N 1 2 328.420 0.151 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cccc4nc[nH]c43)CC2)C1 ZINC001046073231 766885357 /nfs/dbraw/zinc/88/53/57/766885357.db2.gz YQSDHDNLUVPKDX-AWEZNQCLSA-N 1 2 338.415 0.919 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F ZINC001106134717 766893273 /nfs/dbraw/zinc/89/32/73/766893273.db2.gz DVVJKCZCDZABBN-GWCFXTLKSA-N 1 2 346.366 0.583 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F ZINC001106134717 766893285 /nfs/dbraw/zinc/89/32/85/766893285.db2.gz DVVJKCZCDZABBN-GWCFXTLKSA-N 1 2 346.366 0.583 20 30 ECEDLO COc1cccnc1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046079945 766914629 /nfs/dbraw/zinc/91/46/29/766914629.db2.gz IAVXPGVAWNNOGO-AWEZNQCLSA-N 1 2 329.404 0.446 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)CO2 ZINC001053822391 766940644 /nfs/dbraw/zinc/94/06/44/766940644.db2.gz MGXHFDVPCPMABE-GJZGRUSLSA-N 1 2 347.459 0.616 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc3[nH]c(=O)[nH]c3c1)CO2 ZINC001053853394 767026699 /nfs/dbraw/zinc/02/66/99/767026699.db2.gz DXZHDDTUJQUFJO-GFCCVEGCSA-N 1 2 343.387 0.813 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccn(CCOC)n1)CO2 ZINC001053867336 767078113 /nfs/dbraw/zinc/07/81/13/767078113.db2.gz INMRBMAFYYUKLE-AWEZNQCLSA-N 1 2 334.420 0.679 20 30 ECEDLO CCN(c1nccnc1C#N)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001089713661 767111076 /nfs/dbraw/zinc/11/10/76/767111076.db2.gz SNUIXVYMQASRDI-CYBMUJFWSA-N 1 2 327.392 0.966 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3ncccc3O)C2)C1=O ZINC001046262947 767116508 /nfs/dbraw/zinc/11/65/08/767116508.db2.gz ZEFUOYKQFHBREO-ACJLOTCBSA-N 1 2 344.415 0.768 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3ncccc3O)C2)C1=O ZINC001046262947 767116510 /nfs/dbraw/zinc/11/65/10/767116510.db2.gz ZEFUOYKQFHBREO-ACJLOTCBSA-N 1 2 344.415 0.768 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCCNC3=O)C2)c(F)c1 ZINC001031748792 767141816 /nfs/dbraw/zinc/14/18/16/767141816.db2.gz IOPDFCHCGWMUCQ-OAHLLOKOSA-N 1 2 344.390 0.772 20 30 ECEDLO C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001046376540 767180235 /nfs/dbraw/zinc/18/02/35/767180235.db2.gz UHLSIOIAPKOFGA-CYBMUJFWSA-N 1 2 346.431 0.875 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2C=CC=CC=C2)[C@H](OC)C1 ZINC001212340283 767265611 /nfs/dbraw/zinc/26/56/11/767265611.db2.gz IRYVCEVGHPAUTG-USXIJHARSA-N 1 2 343.427 0.238 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2C=CC=CC=C2)[C@H](OC)C1 ZINC001212340283 767265612 /nfs/dbraw/zinc/26/56/12/767265612.db2.gz IRYVCEVGHPAUTG-USXIJHARSA-N 1 2 343.427 0.238 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1c(C)c[nH]c1CC(N)=O)CO2 ZINC001053934641 767395607 /nfs/dbraw/zinc/39/56/07/767395607.db2.gz SJQNEOHHIBTRGV-CYBMUJFWSA-N 1 2 346.431 0.500 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc3cccnn31)CO2 ZINC001053948155 767428051 /nfs/dbraw/zinc/42/80/51/767428051.db2.gz GINXPKGOKFJWSC-ZDUSSCGKSA-N 1 2 327.388 0.879 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2COC3(C[NH+](C[C@H](C)OC)C3)C2)nn1 ZINC001053951114 767436545 /nfs/dbraw/zinc/43/65/45/767436545.db2.gz QHWMVDYOGZVOQL-KBPBESRZSA-N 1 2 349.435 0.462 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CCCCN1C(C)=O)CO2 ZINC001053951690 767437508 /nfs/dbraw/zinc/43/75/08/767437508.db2.gz CNJDRHYRSFIXRU-SJORKVTESA-N 1 2 347.459 0.760 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C(=O)N1CCC[C@@H]1CC)CO2 ZINC001053974535 767502334 /nfs/dbraw/zinc/50/23/34/767502334.db2.gz POGFTAQUXQJPHJ-GJZGRUSLSA-N 1 2 333.432 0.370 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(N(C)C)nn1)CO2 ZINC001053985441 767534057 /nfs/dbraw/zinc/53/40/57/767534057.db2.gz QDOQMLSJPJDPSM-CYBMUJFWSA-N 1 2 331.420 0.692 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2COC3(C[NH+](C[C@@H](C)OC)C3)C2)nc1 ZINC001053985211 767534227 /nfs/dbraw/zinc/53/42/27/767534227.db2.gz LLHHZDGLWNHHPD-UKRRQHHQSA-N 1 2 329.400 0.671 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1noc3c1COCC3)CO2 ZINC001054014799 767601913 /nfs/dbraw/zinc/60/19/13/767601913.db2.gz RNIPYRBNZRXMEY-GFCCVEGCSA-N 1 2 333.388 0.897 20 30 ECEDLO Cn1ncnc1C[N@H+](C)C[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001017109791 767602529 /nfs/dbraw/zinc/60/25/29/767602529.db2.gz POGQGTLOEHYLIH-CYBMUJFWSA-N 1 2 341.419 0.999 20 30 ECEDLO Cn1ncnc1C[N@@H+](C)C[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001017109791 767602534 /nfs/dbraw/zinc/60/25/34/767602534.db2.gz POGQGTLOEHYLIH-CYBMUJFWSA-N 1 2 341.419 0.999 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1CCC(NC(C)=O)CC1)CO2 ZINC001054022594 767618397 /nfs/dbraw/zinc/61/83/97/767618397.db2.gz LHLHQMZKCBQNMZ-JCYILVPMSA-N 1 2 347.459 0.664 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc(OCC)cn1)CO2 ZINC001054023945 767622574 /nfs/dbraw/zinc/62/25/74/767622574.db2.gz DGMYVFJROPUVGQ-CYBMUJFWSA-N 1 2 330.388 0.472 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C(N)=O)nc1)CO2 ZINC001054024494 767624258 /nfs/dbraw/zinc/62/42/58/767624258.db2.gz QWXWCOBKNDAHRU-ZDUSSCGKSA-N 1 2 330.388 0.330 20 30 ECEDLO C[C@H](c1nnnn1C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C#CC1CC1)C2 ZINC001054130709 767726074 /nfs/dbraw/zinc/72/60/74/767726074.db2.gz WYJROUDZYAPUHI-RDTXWAMCSA-N 1 2 342.447 0.999 20 30 ECEDLO C[C@H](c1nnnn1C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C#CC1CC1)C2 ZINC001054130709 767726078 /nfs/dbraw/zinc/72/60/78/767726078.db2.gz WYJROUDZYAPUHI-RDTXWAMCSA-N 1 2 342.447 0.999 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)NC[C@H](O)CNc1cccc(F)c1C#N ZINC001106185365 767768219 /nfs/dbraw/zinc/76/82/19/767768219.db2.gz XTDSUYRFPUXHNA-GFCCVEGCSA-N 1 2 345.378 0.953 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)CCOCCNc1cncc(C#N)n1 ZINC001127351630 768420276 /nfs/dbraw/zinc/42/02/76/768420276.db2.gz NUQJIBMLNKYDJI-UHFFFAOYSA-N 1 2 343.391 0.509 20 30 ECEDLO C#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001017840234 768444990 /nfs/dbraw/zinc/44/49/90/768444990.db2.gz BCCKNGSODZXCAL-KSZLIROESA-N 1 2 331.460 0.938 20 30 ECEDLO C#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001017840234 768444994 /nfs/dbraw/zinc/44/49/94/768444994.db2.gz BCCKNGSODZXCAL-KSZLIROESA-N 1 2 331.460 0.938 20 30 ECEDLO N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001017840948 768446889 /nfs/dbraw/zinc/44/68/89/768446889.db2.gz KBJCFGXLNHHTMI-IXDOHACOSA-N 1 2 332.448 0.829 20 30 ECEDLO N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001017840948 768446893 /nfs/dbraw/zinc/44/68/93/768446893.db2.gz KBJCFGXLNHHTMI-IXDOHACOSA-N 1 2 332.448 0.829 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@]2(C)C1 ZINC000993238903 768622900 /nfs/dbraw/zinc/62/29/00/768622900.db2.gz LQVBANOLCFBXIY-QWQRMKEZSA-N 1 2 343.431 0.819 20 30 ECEDLO C[C@H]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cn1cc[nH+]c1 ZINC001018071279 768685553 /nfs/dbraw/zinc/68/55/53/768685553.db2.gz RHERWDXWQOLFAC-GXTWGEPZSA-N 1 2 340.387 0.892 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001055313740 768770388 /nfs/dbraw/zinc/77/03/88/768770388.db2.gz DBNKZGUDBIUUTK-KFWWJZLASA-N 1 2 346.431 0.850 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1 ZINC001055364040 768814966 /nfs/dbraw/zinc/81/49/66/768814966.db2.gz OHUCAKIJUSJCHX-YUELXQCFSA-N 1 2 337.387 0.550 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1 ZINC001055370878 768822351 /nfs/dbraw/zinc/82/23/51/768822351.db2.gz ULJKTLDMWIZWIW-YUELXQCFSA-N 1 2 337.387 0.848 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1C ZINC000993364183 768876190 /nfs/dbraw/zinc/87/61/90/768876190.db2.gz JWOZXOPRXAHVPK-MNOVXSKESA-N 1 2 340.815 0.099 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1C ZINC000993364183 768876201 /nfs/dbraw/zinc/87/62/01/768876201.db2.gz JWOZXOPRXAHVPK-MNOVXSKESA-N 1 2 340.815 0.099 20 30 ECEDLO C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001018228754 768922520 /nfs/dbraw/zinc/92/25/20/768922520.db2.gz CXDBHKOGURUFQU-JSGCOSHPSA-N 1 2 340.387 0.892 20 30 ECEDLO N#Cc1nccnc1N1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001055541841 769066006 /nfs/dbraw/zinc/06/60/06/769066006.db2.gz RPUCEPRQFXINNF-GUYCJALGSA-N 1 2 337.387 0.720 20 30 ECEDLO CCN(CCNc1nccnc1C#N)C(=O)CCc1c[nH+]cn1C ZINC001106814079 769106169 /nfs/dbraw/zinc/10/61/69/769106169.db2.gz LJUWQWRYROOTLR-UHFFFAOYSA-N 1 2 327.392 0.975 20 30 ECEDLO CC(C)(C)C#CC(=O)NCC[NH+]1CCC(NC(=O)c2ncn[nH]2)CC1 ZINC001055575415 769161669 /nfs/dbraw/zinc/16/16/69/769161669.db2.gz VFFMWNMHXMLGIF-UHFFFAOYSA-N 1 2 346.435 0.165 20 30 ECEDLO CC(C)(C)C#CC(=O)NCC[NH+]1CCC(NC(=O)c2nc[nH]n2)CC1 ZINC001055575415 769161676 /nfs/dbraw/zinc/16/16/76/769161676.db2.gz VFFMWNMHXMLGIF-UHFFFAOYSA-N 1 2 346.435 0.165 20 30 ECEDLO C[C@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001018361790 769196169 /nfs/dbraw/zinc/19/61/69/769196169.db2.gz ILPSLCFNJYBJTH-WCQYABFASA-N 1 2 340.387 0.961 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3cnon3)C2)CC1 ZINC001018371265 769227921 /nfs/dbraw/zinc/22/79/21/769227921.db2.gz FIDLXZWHYINYOT-ZDUSSCGKSA-N 1 2 333.392 0.252 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCC[C@@H](C(=O)N3CC[NH+](CCO)CC3)C2)C1 ZINC001018371602 769229194 /nfs/dbraw/zinc/22/91/94/769229194.db2.gz GMOIXFPETKQPHC-MRXNPFEDSA-N 1 2 349.475 0.718 20 30 ECEDLO Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)n1 ZINC001042084210 782734422 /nfs/dbraw/zinc/73/44/22/782734422.db2.gz PLAPYJPNFKQYSX-IAQYHMDHSA-N 1 2 339.403 0.574 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2nc(N(C)C)no2)C1 ZINC001078360338 782772462 /nfs/dbraw/zinc/77/24/62/782772462.db2.gz QPLPBDBULKJHLO-VXGBXAGGSA-N 1 2 336.396 0.002 20 30 ECEDLO C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001055825350 769866151 /nfs/dbraw/zinc/86/61/51/769866151.db2.gz GNTDHBYCRLORBF-QGZVFWFLSA-N 1 2 334.420 0.709 20 30 ECEDLO C=CC[N@H+]1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H]1C ZINC000994005173 769994319 /nfs/dbraw/zinc/99/43/19/769994319.db2.gz HFSRQPAGVPDHOT-AAEUAGOBSA-N 1 2 330.392 0.226 20 30 ECEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H]1C ZINC000994005173 769994326 /nfs/dbraw/zinc/99/43/26/769994326.db2.gz HFSRQPAGVPDHOT-AAEUAGOBSA-N 1 2 330.392 0.226 20 30 ECEDLO CC(C)(C(=O)N1CCN(c2nccnc2C#N)CC1)c1c[nH+]c[nH]1 ZINC001055861021 770009934 /nfs/dbraw/zinc/00/99/34/770009934.db2.gz FUVCZYBRHJGTEU-UHFFFAOYSA-N 1 2 325.376 0.698 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCCO[C@H](C[NH2+]Cc3csnn3)C2)[nH]1 ZINC001078382729 782816963 /nfs/dbraw/zinc/81/69/63/782816963.db2.gz KHSKWVIDYYVJDC-CYBMUJFWSA-N 1 2 346.416 0.759 20 30 ECEDLO N#Cc1nccc(N2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)CC2)n1 ZINC001055940852 770300542 /nfs/dbraw/zinc/30/05/42/770300542.db2.gz UCGRTGIMHVRKPP-ZDUSSCGKSA-N 1 2 337.387 0.456 20 30 ECEDLO Cc1cc(C#N)nc(N2CCN(C(=O)CCn3cc[nH+]c3)CC2)n1 ZINC001055967988 770395167 /nfs/dbraw/zinc/39/51/67/770395167.db2.gz NOFPLCSDIIHOTF-UHFFFAOYSA-N 1 2 325.376 0.592 20 30 ECEDLO C=C(C)CCC(=O)N[C@]1(CO)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001055972842 770407221 /nfs/dbraw/zinc/40/72/21/770407221.db2.gz MNWTXNRTVLERHS-QGZVFWFLSA-N 1 2 334.420 0.778 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=O)NC3CC3)[C@@H]2C)nc1 ZINC000994261261 770484328 /nfs/dbraw/zinc/48/43/28/770484328.db2.gz ZWTTTXSBLAGPRV-CJNGLKHVSA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NC3CC3)[C@@H]2C)nc1 ZINC000994261261 770484333 /nfs/dbraw/zinc/48/43/33/770484333.db2.gz ZWTTTXSBLAGPRV-CJNGLKHVSA-N 1 2 340.427 0.924 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001055998587 770502668 /nfs/dbraw/zinc/50/26/68/770502668.db2.gz TWOCMWGDNZAUIV-GOSISDBHSA-N 1 2 348.447 0.955 20 30 ECEDLO O=C(C#CC1CC1)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001019011542 770563826 /nfs/dbraw/zinc/56/38/26/770563826.db2.gz OCBGWWRZYPUJPL-HUUCEWRRSA-N 1 2 338.411 0.988 20 30 ECEDLO O=C(C#CC1CC1)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001019011542 770563831 /nfs/dbraw/zinc/56/38/31/770563831.db2.gz OCBGWWRZYPUJPL-HUUCEWRRSA-N 1 2 338.411 0.988 20 30 ECEDLO O=C(C#CC1CC1)N1CCC[C@](CO)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001056025444 770602615 /nfs/dbraw/zinc/60/26/15/770602615.db2.gz NZDIHRCBJXPWSE-SFHVURJKSA-N 1 2 344.415 0.156 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@]1(CO)CCCN(C(=O)C#CC2CC2)C1 ZINC001056031668 770615988 /nfs/dbraw/zinc/61/59/88/770615988.db2.gz CAJIOZHETDPYOX-SFHVURJKSA-N 1 2 344.415 0.144 20 30 ECEDLO CC#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001056061165 770712017 /nfs/dbraw/zinc/71/20/17/770712017.db2.gz CSSGRUCHARMLHO-GOSISDBHSA-N 1 2 346.431 0.546 20 30 ECEDLO C=C[C@H](CC)CC(=O)N[C@@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001056064841 770723670 /nfs/dbraw/zinc/72/36/70/770723670.db2.gz GNNUXSSJTZSWQU-QAPCUYQASA-N 1 2 348.447 0.955 20 30 ECEDLO CO[C@@H]1C[N@H+](CCNC(=O)NC(C)C)C[C@H]1NC(=O)C#CC(C)C ZINC001212240923 771353236 /nfs/dbraw/zinc/35/32/36/771353236.db2.gz GGWFYJXOIQRDRI-HUUCEWRRSA-N 1 2 338.452 0.169 20 30 ECEDLO CO[C@@H]1C[N@@H+](CCNC(=O)NC(C)C)C[C@H]1NC(=O)C#CC(C)C ZINC001212240923 771353242 /nfs/dbraw/zinc/35/32/42/771353242.db2.gz GGWFYJXOIQRDRI-HUUCEWRRSA-N 1 2 338.452 0.169 20 30 ECEDLO C[C@H](C[C@H](C)NC(=O)CCc1[nH+]ccn1C)Nc1ccnc(C#N)n1 ZINC001089523682 771397984 /nfs/dbraw/zinc/39/79/84/771397984.db2.gz IWUSJXPGOIWIJQ-OLZOCXBDSA-N 1 2 341.419 0.832 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NCC2C[NH+](CC(=O)NC3CCCCC3)C2)c1 ZINC001031603649 771399048 /nfs/dbraw/zinc/39/90/48/771399048.db2.gz UVSPMPXRDYVZNR-UHFFFAOYSA-N 1 2 343.431 0.997 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001056682953 771510421 /nfs/dbraw/zinc/51/04/21/771510421.db2.gz VDONYKVPHLXNTA-JKSUJKDBSA-N 1 2 328.416 0.992 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1C[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001056707180 771537427 /nfs/dbraw/zinc/53/74/27/771537427.db2.gz CDSFHBYKUXPSNZ-QLFBSQMISA-N 1 2 344.415 0.440 20 30 ECEDLO C=CCN1CC[C@H]([NH2+]Cc2cn([C@H]3CCN(C(=O)CC)C3)nn2)C1=O ZINC001089573570 771541037 /nfs/dbraw/zinc/54/10/37/771541037.db2.gz HRKYCMBEALZXFS-GJZGRUSLSA-N 1 2 346.435 0.338 20 30 ECEDLO N#Cc1nccnc1N[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001056726253 771561011 /nfs/dbraw/zinc/56/10/11/771561011.db2.gz XJFYZJSJZVPTRN-QWHCGFSZSA-N 1 2 337.387 0.820 20 30 ECEDLO CCc1nc(C#N)cc(N[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)n1 ZINC001056790570 771645445 /nfs/dbraw/zinc/64/54/45/771645445.db2.gz KVLDQVCPBJBYJV-LLVKDONJSA-N 1 2 325.376 0.889 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](Nc2nccnc2C#N)C1 ZINC001056796154 771654558 /nfs/dbraw/zinc/65/45/58/771654558.db2.gz BXNWGIDXRCKLHI-NWDGAFQWSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](Nc2nccnc2C#N)C1 ZINC001056796154 771654561 /nfs/dbraw/zinc/65/45/61/771654561.db2.gz BXNWGIDXRCKLHI-NWDGAFQWSA-N 1 2 325.376 0.963 20 30 ECEDLO CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001056942171 771839872 /nfs/dbraw/zinc/83/98/72/771839872.db2.gz RPHXYYMJAYRASA-ZDUSSCGKSA-N 1 2 325.376 0.362 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H](N(C)c3cc[nH+]c(C)n3)C2)nn1 ZINC001057044907 771988116 /nfs/dbraw/zinc/98/81/16/771988116.db2.gz IQRQVNUVEVHQON-ZDUSSCGKSA-N 1 2 327.392 0.913 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](N(C)c2ccnc(C#N)n2)C1 ZINC001057046929 771992363 /nfs/dbraw/zinc/99/23/63/771992363.db2.gz JUFXZXSCFPAOSN-JSGCOSHPSA-N 1 2 339.403 0.987 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](N(C)c2ccnc(C#N)n2)C1 ZINC001057046929 771992368 /nfs/dbraw/zinc/99/23/68/771992368.db2.gz JUFXZXSCFPAOSN-JSGCOSHPSA-N 1 2 339.403 0.987 20 30 ECEDLO C=CCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001057172631 772213103 /nfs/dbraw/zinc/21/31/03/772213103.db2.gz LIRIEALJBRKLGU-CQSZACIVSA-N 1 2 348.447 0.726 20 30 ECEDLO C=CCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001057172631 772213106 /nfs/dbraw/zinc/21/31/06/772213106.db2.gz LIRIEALJBRKLGU-CQSZACIVSA-N 1 2 348.447 0.726 20 30 ECEDLO C=CCOCC(=O)N(CCO)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001057193882 772253594 /nfs/dbraw/zinc/25/35/94/772253594.db2.gz RZQYCUHENLWOOJ-UHFFFAOYSA-N 1 2 349.431 0.760 20 30 ECEDLO C=CCn1cc(C(=O)N2CCCN(c3cc[nH+]c(C)n3)CC2)nn1 ZINC001057244511 772334455 /nfs/dbraw/zinc/33/44/55/772334455.db2.gz KIBHVFXMNOBZMH-UHFFFAOYSA-N 1 2 327.392 0.915 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCN(c2nccnc2C#N)CC1 ZINC001057245868 772336809 /nfs/dbraw/zinc/33/68/09/772336809.db2.gz YSJHAVNVPATEJW-ZDUSSCGKSA-N 1 2 339.403 0.989 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCN(c2nccnc2C#N)CC1 ZINC001057245868 772336814 /nfs/dbraw/zinc/33/68/14/772336814.db2.gz YSJHAVNVPATEJW-ZDUSSCGKSA-N 1 2 339.403 0.989 20 30 ECEDLO N#Cc1nccc(NCC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)n1 ZINC001057497027 772686849 /nfs/dbraw/zinc/68/68/49/772686849.db2.gz OHDYIPJVRTYYGK-UHFFFAOYSA-N 1 2 339.403 0.777 20 30 ECEDLO CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001057524206 772715732 /nfs/dbraw/zinc/71/57/32/772715732.db2.gz BEZQHUJRCQJDFK-OAHLLOKOSA-N 1 2 346.431 0.042 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H](Nc2ccc(C#N)nn2)C1 ZINC001057670411 772897395 /nfs/dbraw/zinc/89/73/95/772897395.db2.gz BHGSFFJEFBGMON-CYBMUJFWSA-N 1 2 325.376 0.727 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@H](Nc2ccnc(C#N)n2)C1 ZINC001057670374 772897568 /nfs/dbraw/zinc/89/75/68/772897568.db2.gz AZPWDLITKJUEQF-LBPRGKRZSA-N 1 2 325.376 0.149 20 30 ECEDLO C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001057710866 772934029 /nfs/dbraw/zinc/93/40/29/772934029.db2.gz BLAXOIUAFCERNJ-AWEZNQCLSA-N 1 2 334.420 0.329 20 30 ECEDLO C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001057710866 772934033 /nfs/dbraw/zinc/93/40/33/772934033.db2.gz BLAXOIUAFCERNJ-AWEZNQCLSA-N 1 2 334.420 0.329 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H](Nc2ccnc(C#N)n2)C1 ZINC001057765715 772969813 /nfs/dbraw/zinc/96/98/13/772969813.db2.gz BQAWDRUMZTYYCI-STQMWFEESA-N 1 2 339.403 0.775 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](Nc2ccnc(C#N)n2)C1 ZINC001057765715 772969816 /nfs/dbraw/zinc/96/98/16/772969816.db2.gz BQAWDRUMZTYYCI-STQMWFEESA-N 1 2 339.403 0.775 20 30 ECEDLO CC(C)C[C@@H](C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)n1cc[nH+]c1 ZINC001057887907 773135242 /nfs/dbraw/zinc/13/52/42/773135242.db2.gz ROFYVAXDZBIPSH-CABCVRRESA-N 1 2 349.435 0.567 20 30 ECEDLO C#CCCCC(=O)NCCN(CCO)C(=O)Cc1c[nH+]ccc1OC ZINC001057971973 773313302 /nfs/dbraw/zinc/31/33/02/773313302.db2.gz LBJCNKXTZHPTDH-UHFFFAOYSA-N 1 2 347.415 0.373 20 30 ECEDLO C#CCCCC(=O)NCCN(CCO)C(=O)c1cccc2[nH+]ccn21 ZINC001058081781 773497315 /nfs/dbraw/zinc/49/73/15/773497315.db2.gz WRIJWEFHBAIHHM-UHFFFAOYSA-N 1 2 342.399 0.689 20 30 ECEDLO C=CCC(CC=C)C(=O)NC[C@]1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039805553 783128353 /nfs/dbraw/zinc/12/83/53/783128353.db2.gz CFLHGWBPHGASJE-GOSISDBHSA-N 1 2 346.431 0.800 20 30 ECEDLO C=CCC1(C(=O)NCCN(CCO)C(=O)Cc2[nH]c[nH+]c2C)CCC1 ZINC001058263397 773873262 /nfs/dbraw/zinc/87/32/62/773873262.db2.gz JCYWWLJKDDVGCW-UHFFFAOYSA-N 1 2 348.447 0.944 20 30 ECEDLO N#Cc1nccnc1N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001058265906 773879767 /nfs/dbraw/zinc/87/97/67/773879767.db2.gz WIDOCABEEMDIGA-JHJVBQTASA-N 1 2 337.387 0.960 20 30 ECEDLO N#Cc1nccnc1N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001058265906 773879773 /nfs/dbraw/zinc/87/97/73/773879773.db2.gz WIDOCABEEMDIGA-JHJVBQTASA-N 1 2 337.387 0.960 20 30 ECEDLO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001058303651 773938333 /nfs/dbraw/zinc/93/83/33/773938333.db2.gz FJCWMVDNJIJJNC-ZIAGYGMSSA-N 1 2 348.447 0.673 20 30 ECEDLO C#CCCCCCC(=O)N(CCO)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001058307517 773945306 /nfs/dbraw/zinc/94/53/06/773945306.db2.gz NLLFWMWLCBJIQL-UHFFFAOYSA-N 1 2 348.447 0.863 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001040634972 783145123 /nfs/dbraw/zinc/14/51/23/783145123.db2.gz CFUXHZNWXUKWSL-MAUKXSAKSA-N 1 2 348.447 0.955 20 30 ECEDLO C[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CN1c1cnc(C#N)cn1 ZINC001039819982 783150430 /nfs/dbraw/zinc/15/04/30/783150430.db2.gz YZKQCZQDMZTARA-RYUDHWBXSA-N 1 2 325.376 0.788 20 30 ECEDLO N#Cc1cncc(N2CC[C@@H](NC(=O)[C@H]3CCn4cc[nH+]c4C3)C2)n1 ZINC001058480902 774270653 /nfs/dbraw/zinc/27/06/53/774270653.db2.gz DSYDOLDFLFIOEZ-QWHCGFSZSA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1cncc(N2CC[C@@H](NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)n1 ZINC001058541304 774393761 /nfs/dbraw/zinc/39/37/61/774393761.db2.gz HSCWWSLBFBRIFL-YPMHNXCESA-N 1 2 337.387 0.886 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+](C[C@H]2CCc3ncnn32)C1 ZINC001043923069 775324698 /nfs/dbraw/zinc/32/46/98/775324698.db2.gz LOBAJMMVDKHQQW-YUELXQCFSA-N 1 2 331.420 0.499 20 30 ECEDLO C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001045458625 775641263 /nfs/dbraw/zinc/64/12/63/775641263.db2.gz JDVIKCJOSHFHPR-AWEZNQCLSA-N 1 2 346.431 0.491 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(c2cccc(F)c2C#N)C[C@@H]1O ZINC001044100267 775697642 /nfs/dbraw/zinc/69/76/42/775697642.db2.gz AMPUKUYWPMLDEY-ZBFHGGJFSA-N 1 2 343.362 0.637 20 30 ECEDLO C#CCC1(C(=O)N2CC(O)(CNC(=O)CCn3cc[nH+]c3)C2)CCC1 ZINC001044137803 775769700 /nfs/dbraw/zinc/76/97/00/775769700.db2.gz QQOWDTWICGTPPL-UHFFFAOYSA-N 1 2 344.415 0.156 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001044323575 776153968 /nfs/dbraw/zinc/15/39/68/776153968.db2.gz PFZPTBDDPIBVSR-INIZCTEOSA-N 1 2 334.420 0.552 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001044418835 776289882 /nfs/dbraw/zinc/28/98/82/776289882.db2.gz TURUDELOLOOWSE-CHWSQXEVSA-N 1 2 346.431 0.805 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001044418835 776289887 /nfs/dbraw/zinc/28/98/87/776289887.db2.gz TURUDELOLOOWSE-CHWSQXEVSA-N 1 2 346.431 0.805 20 30 ECEDLO C=C(C)CCC(=O)N1CC(O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001044665981 776607989 /nfs/dbraw/zinc/60/79/89/776607989.db2.gz DHCGFSVKTSHARK-UHFFFAOYSA-N 1 2 334.420 0.399 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001079690627 776695412 /nfs/dbraw/zinc/69/54/12/776695412.db2.gz ZLUREYKSZPOQGQ-FZKQIMNGSA-N 1 2 348.447 0.975 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001079690627 776695420 /nfs/dbraw/zinc/69/54/20/776695420.db2.gz ZLUREYKSZPOQGQ-FZKQIMNGSA-N 1 2 348.447 0.975 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001079777671 776854349 /nfs/dbraw/zinc/85/43/49/776854349.db2.gz CQMFPFBGTPBLKT-ZDUSSCGKSA-N 1 2 332.404 0.440 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001079777671 776854358 /nfs/dbraw/zinc/85/43/58/776854358.db2.gz CQMFPFBGTPBLKT-ZDUSSCGKSA-N 1 2 332.404 0.440 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3nccn3c2)[C@@H](n2ccnn2)C1 ZINC001070072568 790509306 /nfs/dbraw/zinc/50/93/06/790509306.db2.gz OSWWBCPSCLBRSL-CABCVRRESA-N 1 2 335.371 0.214 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3nccn3c2)[C@@H](n2ccnn2)C1 ZINC001070072568 790509311 /nfs/dbraw/zinc/50/93/11/790509311.db2.gz OSWWBCPSCLBRSL-CABCVRRESA-N 1 2 335.371 0.214 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)c2c[nH]cn2)[C@@H](n2ccnn2)C1 ZINC001070076849 790524171 /nfs/dbraw/zinc/52/41/71/790524171.db2.gz XVRXTGXLUQPRGL-KGLIPLIRSA-N 1 2 341.419 0.344 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)c2c[nH]cn2)[C@@H](n2ccnn2)C1 ZINC001070076849 790524181 /nfs/dbraw/zinc/52/41/81/790524181.db2.gz XVRXTGXLUQPRGL-KGLIPLIRSA-N 1 2 341.419 0.344 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2ccccc2OC)[C@@H](n2ccnn2)C1 ZINC001070090119 790569588 /nfs/dbraw/zinc/56/95/88/790569588.db2.gz QBMJYNORRGBFJD-CVEARBPZSA-N 1 2 339.399 0.504 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2ccccc2OC)[C@@H](n2ccnn2)C1 ZINC001070090119 790569600 /nfs/dbraw/zinc/56/96/00/790569600.db2.gz QBMJYNORRGBFJD-CVEARBPZSA-N 1 2 339.399 0.504 20 30 ECEDLO C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001043205916 777956381 /nfs/dbraw/zinc/95/63/81/777956381.db2.gz OLNXEHYLTXBIDS-UHFFFAOYSA-N 1 2 348.447 0.645 20 30 ECEDLO C#CCC1(C(=O)NCC2(O)CN(C(=O)CCc3[nH]cc[nH+]3)C2)CCC1 ZINC001043348765 778202855 /nfs/dbraw/zinc/20/28/55/778202855.db2.gz UPVFVWMJRJGKSJ-UHFFFAOYSA-N 1 2 344.415 0.225 20 30 ECEDLO C=CCCC(=O)N1CC(O)(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001043373406 778236610 /nfs/dbraw/zinc/23/66/10/778236610.db2.gz JKCIQTGMBYEIPW-UHFFFAOYSA-N 1 2 346.431 0.418 20 30 ECEDLO C=CCCCC(=O)N1CC(O)(CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001043671670 778696491 /nfs/dbraw/zinc/69/64/91/778696491.db2.gz WVPAQWQUSHEEEX-UHFFFAOYSA-N 1 2 347.415 0.679 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001078535122 780096581 /nfs/dbraw/zinc/09/65/81/780096581.db2.gz ABFWZGCOTKBIDF-LNSITVRQSA-N 1 2 334.420 0.863 20 30 ECEDLO CC(C)C#CC(=O)N1CC2(C1)CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)O2 ZINC001068641290 790778494 /nfs/dbraw/zinc/77/84/94/790778494.db2.gz XOTMSNVCDVZQAP-HNNXBMFYSA-N 1 2 344.415 0.488 20 30 ECEDLO C[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001042542519 780412622 /nfs/dbraw/zinc/41/26/22/780412622.db2.gz IFLKYQJRENPQRL-QMTHXVAHSA-N 1 2 328.351 0.999 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1C[NH+](C[C@@H]2CCc3ncnn32)C1 ZINC001042638828 780574772 /nfs/dbraw/zinc/57/47/72/780574772.db2.gz VEPQHLCVJDFZMS-ZDUSSCGKSA-N 1 2 325.376 0.422 20 30 ECEDLO C#CCCCCC(=O)NCC1(O)CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001042654838 780592991 /nfs/dbraw/zinc/59/29/91/780592991.db2.gz BHJXZGOPELEYDG-UHFFFAOYSA-N 1 2 332.404 0.225 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CCC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001079045363 780720513 /nfs/dbraw/zinc/72/05/13/780720513.db2.gz FBQPZEVFTDNRKI-LSDHHAIUSA-N 1 2 346.431 0.830 20 30 ECEDLO C=CCCC1(C(=O)N2CC(O)(CNC(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001042827817 780900069 /nfs/dbraw/zinc/90/00/69/780900069.db2.gz ZFWJDPXXTYYNSA-UHFFFAOYSA-N 1 2 346.431 0.778 20 30 ECEDLO CO[C@@H]1CN(c2nc(C)ccc2C#N)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001042850549 780942513 /nfs/dbraw/zinc/94/25/13/780942513.db2.gz HEKQNQYOECRRAX-HUUCEWRRSA-N 1 2 340.387 0.478 20 30 ECEDLO Cc1cc(C)c(C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)c(C)[nH+]1 ZINC001042958312 781098811 /nfs/dbraw/zinc/09/88/11/781098811.db2.gz JHLCJORLFLKWGP-UHFFFAOYSA-N 1 2 341.411 0.723 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001079493592 781181719 /nfs/dbraw/zinc/18/17/19/781181719.db2.gz YCBMYBUMMKBMAL-HFBAOOFYSA-N 1 2 344.390 0.912 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001079493592 781181724 /nfs/dbraw/zinc/18/17/24/781181724.db2.gz YCBMYBUMMKBMAL-HFBAOOFYSA-N 1 2 344.390 0.912 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C)CCCCC3)C2)C1=O ZINC001077617723 781360117 /nfs/dbraw/zinc/36/01/17/781360117.db2.gz HTMHIMURZKRODW-OWCLPIDISA-N 1 2 349.475 0.905 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C)CCCCC3)C2)C1=O ZINC001077617723 781360128 /nfs/dbraw/zinc/36/01/28/781360128.db2.gz HTMHIMURZKRODW-OWCLPIDISA-N 1 2 349.475 0.905 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccnc(OC)c2)C[C@H]1O ZINC001077694432 781530236 /nfs/dbraw/zinc/53/02/36/781530236.db2.gz 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338.415 0.958 20 30 ECEDLO C[C@H](C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1)C1CCOCC1 ZINC001070726414 784603089 /nfs/dbraw/zinc/60/30/89/784603089.db2.gz YOHAOKGQOQGCCN-NUEKZKHPSA-N 1 2 345.447 0.890 20 30 ECEDLO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cccc3n[nH]nc31)C[C@H](C)O2 ZINC001071169224 784648429 /nfs/dbraw/zinc/64/84/29/784648429.db2.gz NSHIBYVZOKOVAR-SCLBCKFNSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cccc3n[nH]nc31)C[C@H](C)O2 ZINC001071169224 784648436 /nfs/dbraw/zinc/64/84/36/784648436.db2.gz NSHIBYVZOKOVAR-SCLBCKFNSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cccc3nn[nH]c31)C[C@H](C)O2 ZINC001071169224 784648442 /nfs/dbraw/zinc/64/84/42/784648442.db2.gz NSHIBYVZOKOVAR-SCLBCKFNSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cccc3nn[nH]c31)C[C@H](C)O2 ZINC001071169224 784648448 /nfs/dbraw/zinc/64/84/48/784648448.db2.gz NSHIBYVZOKOVAR-SCLBCKFNSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)C[C@H]3CCCO3)C2)C(=O)C1 ZINC001071252904 784841753 /nfs/dbraw/zinc/84/17/53/784841753.db2.gz AWVLDVKBRZYDQC-DLBZAZTESA-N 1 2 347.459 0.714 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)C[C@H]3CCCO3)C2)C(=O)C1 ZINC001071252904 784841758 /nfs/dbraw/zinc/84/17/58/784841758.db2.gz AWVLDVKBRZYDQC-DLBZAZTESA-N 1 2 347.459 0.714 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)C3=COCCC3)C2)C(=O)C1 ZINC001071255302 784850533 /nfs/dbraw/zinc/85/05/33/784850533.db2.gz KKXHXWADOMCDDS-QGZVFWFLSA-N 1 2 345.443 0.839 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)C3=COCCC3)C2)C(=O)C1 ZINC001071255302 784850538 /nfs/dbraw/zinc/85/05/38/784850538.db2.gz KKXHXWADOMCDDS-QGZVFWFLSA-N 1 2 345.443 0.839 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)Cc3ccoc3)C2)C(=O)C1 ZINC001071263014 784879815 /nfs/dbraw/zinc/87/98/15/784879815.db2.gz ZBTAYGMFOJPFOJ-QGZVFWFLSA-N 1 2 343.427 0.981 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)Cc3ccoc3)C2)C(=O)C1 ZINC001071263014 784879823 /nfs/dbraw/zinc/87/98/23/784879823.db2.gz ZBTAYGMFOJPFOJ-QGZVFWFLSA-N 1 2 343.427 0.981 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@H]3OCC[C@H]3C)C2)C(=O)C1 ZINC001071273891 784911132 /nfs/dbraw/zinc/91/11/32/784911132.db2.gz KBNKEHUEMFWCSR-NUJGCVRESA-N 1 2 347.459 0.570 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@H]3OCC[C@H]3C)C2)C(=O)C1 ZINC001071273891 784911136 /nfs/dbraw/zinc/91/11/36/784911136.db2.gz KBNKEHUEMFWCSR-NUJGCVRESA-N 1 2 347.459 0.570 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3cccnn3)C2)C(=O)C1 ZINC001071275536 784915507 /nfs/dbraw/zinc/91/55/07/784915507.db2.gz JIRYSJBIXABULE-HNNXBMFYSA-N 1 2 341.415 0.249 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3cccnn3)C2)C(=O)C1 ZINC001071275536 784915509 /nfs/dbraw/zinc/91/55/09/784915509.db2.gz JIRYSJBIXABULE-HNNXBMFYSA-N 1 2 341.415 0.249 20 30 ECEDLO C=CCN1CCN([C@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C(=O)C1 ZINC001071277321 784923644 /nfs/dbraw/zinc/92/36/44/784923644.db2.gz QEEPXACNOCXWBN-HNNXBMFYSA-N 1 2 345.447 0.284 20 30 ECEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001071918608 785332367 /nfs/dbraw/zinc/33/23/67/785332367.db2.gz QJHCJHYZXSXUPY-IUODEOHRSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001071659630 785467361 /nfs/dbraw/zinc/46/73/61/785467361.db2.gz YODHPHXKXUSZNG-AAEUAGOBSA-N 1 2 335.433 0.562 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001071659630 785467366 /nfs/dbraw/zinc/46/73/66/785467366.db2.gz YODHPHXKXUSZNG-AAEUAGOBSA-N 1 2 335.433 0.562 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)CCc1c[nH+]cn1C ZINC001071662049 785474862 /nfs/dbraw/zinc/47/48/62/785474862.db2.gz RPKRVQNDWQJGRK-OCCSQVGLSA-N 1 2 349.460 0.573 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](C)C1 ZINC001072035408 785557725 /nfs/dbraw/zinc/55/77/25/785557725.db2.gz LJDVGWNHBACNSG-GJZGRUSLSA-N 1 2 330.432 0.975 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1NC(=O)CSCC#N ZINC001072316458 786029631 /nfs/dbraw/zinc/02/96/31/786029631.db2.gz CMJVMPYCAYFOFD-DGCLKSJQSA-N 1 2 335.433 0.562 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1NC(=O)CSCC#N ZINC001072316458 786029634 /nfs/dbraw/zinc/02/96/34/786029634.db2.gz CMJVMPYCAYFOFD-DGCLKSJQSA-N 1 2 335.433 0.562 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001072452648 786205989 /nfs/dbraw/zinc/20/59/89/786205989.db2.gz DQNSWECHKAFCTC-LSDHHAIUSA-N 1 2 332.404 0.276 20 30 ECEDLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1NC(=O)CSCC#N ZINC001072452966 786206644 /nfs/dbraw/zinc/20/66/44/786206644.db2.gz GDPKBMSZAIHVHJ-CHWSQXEVSA-N 1 2 335.433 0.493 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001072484590 786260369 /nfs/dbraw/zinc/26/03/69/786260369.db2.gz PYERFWDYSOWGFY-WFASDCNBSA-N 1 2 332.404 0.264 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1NC(=O)CSCC#N ZINC001072510781 786302512 /nfs/dbraw/zinc/30/25/12/786302512.db2.gz RQOIJGJJNTYIKO-STQMWFEESA-N 1 2 349.460 0.573 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1NC(=O)CSCC#N ZINC001072513888 786309146 /nfs/dbraw/zinc/30/91/46/786309146.db2.gz UCTGYAUFDGFZRO-GXTWGEPZSA-N 1 2 349.460 0.573 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1cc(=O)n3[nH]ccc3n1)C2 ZINC001072551516 786355852 /nfs/dbraw/zinc/35/58/52/786355852.db2.gz GKBHEAOIFGGDSJ-GFCCVEGCSA-N 1 2 340.387 0.217 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](Cc1cc(=O)n3[nH]ccc3n1)C2 ZINC001072551516 786355857 /nfs/dbraw/zinc/35/58/57/786355857.db2.gz GKBHEAOIFGGDSJ-GFCCVEGCSA-N 1 2 340.387 0.217 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cncc4nc[nH]c43)C[C@H]21 ZINC001074244747 786498930 /nfs/dbraw/zinc/49/89/30/786498930.db2.gz JWFUYLQNTZFCJF-CVEARBPZSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cncc4nc[nH]c43)C[C@H]21 ZINC001074244747 786498934 /nfs/dbraw/zinc/49/89/34/786498934.db2.gz JWFUYLQNTZFCJF-CVEARBPZSA-N 1 2 339.399 0.897 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C[C@H]21 ZINC001074285645 786596302 /nfs/dbraw/zinc/59/63/02/786596302.db2.gz FEBFCXKXHROFJE-HZPDHXFCSA-N 1 2 346.431 0.615 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C[C@H]21 ZINC001074285645 786596307 /nfs/dbraw/zinc/59/63/07/786596307.db2.gz FEBFCXKXHROFJE-HZPDHXFCSA-N 1 2 346.431 0.615 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccnc4n[nH]nc43)C[C@@H]21 ZINC001074291740 786607676 /nfs/dbraw/zinc/60/76/76/786607676.db2.gz JPSXPRJILCWLDE-KBPBESRZSA-N 1 2 340.387 0.292 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccnc4n[nH]nc43)C[C@@H]21 ZINC001074291740 786607680 /nfs/dbraw/zinc/60/76/80/786607680.db2.gz JPSXPRJILCWLDE-KBPBESRZSA-N 1 2 340.387 0.292 20 30 ECEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)ccc3=O)C[C@H]21 ZINC001074292553 786610705 /nfs/dbraw/zinc/61/07/05/786610705.db2.gz XIQJASSUNMMNRF-NVXWUHKLSA-N 1 2 331.416 0.877 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)ccc3=O)C[C@H]21 ZINC001074292553 786610713 /nfs/dbraw/zinc/61/07/13/786610713.db2.gz XIQJASSUNMMNRF-NVXWUHKLSA-N 1 2 331.416 0.877 20 30 ECEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)ccc3=O)C[C@@H]21 ZINC001074292554 786611004 /nfs/dbraw/zinc/61/10/04/786611004.db2.gz XIQJASSUNMMNRF-RDJZCZTQSA-N 1 2 331.416 0.877 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)ccc3=O)C[C@@H]21 ZINC001074292554 786611012 /nfs/dbraw/zinc/61/10/12/786611012.db2.gz XIQJASSUNMMNRF-RDJZCZTQSA-N 1 2 331.416 0.877 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(OC)n(C)n3)C[C@H]21 ZINC001074294108 786613935 /nfs/dbraw/zinc/61/39/35/786613935.db2.gz IQIFOGYNIHZMCP-CABCVRRESA-N 1 2 332.404 0.367 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(OC)n(C)n3)C[C@H]21 ZINC001074294108 786613940 /nfs/dbraw/zinc/61/39/40/786613940.db2.gz IQIFOGYNIHZMCP-CABCVRRESA-N 1 2 332.404 0.367 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@H]21 ZINC001074294558 786615575 /nfs/dbraw/zinc/61/55/75/786615575.db2.gz PGUVOPZZBLACLT-HZPDHXFCSA-N 1 2 344.415 0.604 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@H]21 ZINC001074294558 786615581 /nfs/dbraw/zinc/61/55/81/786615581.db2.gz PGUVOPZZBLACLT-HZPDHXFCSA-N 1 2 344.415 0.604 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)COc3cnn(C)c3)C[C@H]21 ZINC001074322836 786673078 /nfs/dbraw/zinc/67/30/78/786673078.db2.gz YHLLVRFYBYUQDQ-CVEARBPZSA-N 1 2 332.404 0.124 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)COc3cnn(C)c3)C[C@H]21 ZINC001074322836 786673086 /nfs/dbraw/zinc/67/30/86/786673086.db2.gz YHLLVRFYBYUQDQ-CVEARBPZSA-N 1 2 332.404 0.124 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(=O)n3C)C[C@@H]21 ZINC001074335928 786698898 /nfs/dbraw/zinc/69/88/98/786698898.db2.gz HEVCQPPVCMWZQE-JKSUJKDBSA-N 1 2 331.416 0.877 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(=O)n3C)C[C@@H]21 ZINC001074335928 786698904 /nfs/dbraw/zinc/69/89/04/786698904.db2.gz HEVCQPPVCMWZQE-JKSUJKDBSA-N 1 2 331.416 0.877 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3cnn(C)n3)C[C@@H]21 ZINC001074340344 786708277 /nfs/dbraw/zinc/70/82/77/786708277.db2.gz ICTZNQDLJMCWIW-JKSUJKDBSA-N 1 2 331.420 0.073 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3cnn(C)n3)C[C@@H]21 ZINC001074340344 786708281 /nfs/dbraw/zinc/70/82/81/786708281.db2.gz ICTZNQDLJMCWIW-JKSUJKDBSA-N 1 2 331.420 0.073 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCc3cnn(C)n3)C[C@@H]21 ZINC001074340341 786708374 /nfs/dbraw/zinc/70/83/74/786708374.db2.gz ICTZNQDLJMCWIW-HOTGVXAUSA-N 1 2 331.420 0.073 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCc3cnn(C)n3)C[C@@H]21 ZINC001074340341 786708379 /nfs/dbraw/zinc/70/83/79/786708379.db2.gz ICTZNQDLJMCWIW-HOTGVXAUSA-N 1 2 331.420 0.073 20 30 ECEDLO C=CCOCC(=O)N1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)CC[C@@H]2C1 ZINC001074344824 786719860 /nfs/dbraw/zinc/71/98/60/786719860.db2.gz VVTCVRQHJYBPEV-IYBDPMFKSA-N 1 2 346.431 0.783 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)Cn3nnnc3C(C)C)C[C@@H]21 ZINC001074354132 786738180 /nfs/dbraw/zinc/73/81/80/786738180.db2.gz LIZWSTJJJAVKSM-GJZGRUSLSA-N 1 2 348.451 0.674 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3nnnc3C(C)C)C[C@@H]21 ZINC001074354132 786738185 /nfs/dbraw/zinc/73/81/85/786738185.db2.gz LIZWSTJJJAVKSM-GJZGRUSLSA-N 1 2 348.451 0.674 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001073605664 786760116 /nfs/dbraw/zinc/76/01/16/786760116.db2.gz QGVWJRAEIXKSDV-MRVWCRGKSA-N 1 2 343.855 0.861 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001073605664 786760122 /nfs/dbraw/zinc/76/01/22/786760122.db2.gz QGVWJRAEIXKSDV-MRVWCRGKSA-N 1 2 343.855 0.861 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001073605663 786760776 /nfs/dbraw/zinc/76/07/76/786760776.db2.gz QGVWJRAEIXKSDV-KWCYVHTRSA-N 1 2 343.855 0.861 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001073605663 786760784 /nfs/dbraw/zinc/76/07/84/786760784.db2.gz QGVWJRAEIXKSDV-KWCYVHTRSA-N 1 2 343.855 0.861 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCc3cnccn3)C[C@@H]21 ZINC001074373970 786789265 /nfs/dbraw/zinc/78/92/65/786789265.db2.gz BBSNWVKQNFZKTF-IRXDYDNUSA-N 1 2 328.416 0.734 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCc3cnccn3)C[C@@H]21 ZINC001074373970 786789270 /nfs/dbraw/zinc/78/92/70/786789270.db2.gz BBSNWVKQNFZKTF-IRXDYDNUSA-N 1 2 328.416 0.734 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3cnn(CC)c3)C[C@@H]21 ZINC001074380745 786807130 /nfs/dbraw/zinc/80/71/30/786807130.db2.gz TVAUXDKLJWJXCS-IRXDYDNUSA-N 1 2 330.432 0.771 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3cnn(CC)c3)C[C@@H]21 ZINC001074380745 786807137 /nfs/dbraw/zinc/80/71/37/786807137.db2.gz TVAUXDKLJWJXCS-IRXDYDNUSA-N 1 2 330.432 0.771 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCN3CCCC3=O)C[C@@H]21 ZINC001074402065 786863758 /nfs/dbraw/zinc/86/37/58/786863758.db2.gz CJARHLWZYWHEMR-HOTGVXAUSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCN3CCCC3=O)C[C@@H]21 ZINC001074402065 786863770 /nfs/dbraw/zinc/86/37/70/786863770.db2.gz CJARHLWZYWHEMR-HOTGVXAUSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)CC(C)C)CC1 ZINC001074436319 786958523 /nfs/dbraw/zinc/95/85/23/786958523.db2.gz FGDXBXSBLMYSNK-INIZCTEOSA-N 1 2 349.475 0.600 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)CC(C)C)CC1 ZINC001074436319 786958527 /nfs/dbraw/zinc/95/85/27/786958527.db2.gz FGDXBXSBLMYSNK-INIZCTEOSA-N 1 2 349.475 0.600 20 30 ECEDLO C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCS(=O)(=O)C2)C1 ZINC001073797022 787220902 /nfs/dbraw/zinc/22/09/02/787220902.db2.gz SZZGJKIQQZDKSU-LSDHHAIUSA-N 1 2 344.477 0.594 20 30 ECEDLO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCS(=O)(=O)C2)C1 ZINC001073797022 787220905 /nfs/dbraw/zinc/22/09/05/787220905.db2.gz SZZGJKIQQZDKSU-LSDHHAIUSA-N 1 2 344.477 0.594 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001073820802 787265650 /nfs/dbraw/zinc/26/56/50/787265650.db2.gz WTKAPYONFBGNPK-ZBFHGGJFSA-N 1 2 348.447 0.909 20 30 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/nfs/dbraw/zinc/51/73/02/792517302.db2.gz OHYODFQFMOLIAB-GXTWGEPZSA-N 1 2 325.376 0.576 20 30 ECEDLO C[C@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067994705 792554312 /nfs/dbraw/zinc/55/43/12/792554312.db2.gz YLHIBCPPEKNJCJ-FZMZJTMJSA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067994672 792554996 /nfs/dbraw/zinc/55/49/96/792554996.db2.gz YAAVTJFQRPGWOD-AAEUAGOBSA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001068060144 792612475 /nfs/dbraw/zinc/61/24/75/792612475.db2.gz DGCSUELJWJPSTB-BFHYXJOUSA-N 1 2 331.420 0.990 20 30 ECEDLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1Nc1ccc(C#N)nn1 ZINC001067123580 792721716 /nfs/dbraw/zinc/72/17/16/792721716.db2.gz WDAVILJGVYUFCU-SMDDNHRTSA-N 1 2 325.376 0.583 20 30 ECEDLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1Nc1cncc(C#N)n1 ZINC001067123575 792721773 /nfs/dbraw/zinc/72/17/73/792721773.db2.gz WBYFSVJZXVIQNV-FZMZJTMJSA-N 1 2 325.376 0.583 20 30 ECEDLO C[C@H]1C[C@@H](CNc2cnc(C#N)cn2)CN1C(=O)Cc1c[nH+]cn1C ZINC001068339722 793079657 /nfs/dbraw/zinc/07/96/57/793079657.db2.gz ZBPIGWBXODPLNE-STQMWFEESA-N 1 2 339.403 0.973 20 30 ECEDLO C[C@@H]1C[C@@H](CNc2nccnc2C#N)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001068347803 793095225 /nfs/dbraw/zinc/09/52/25/793095225.db2.gz NUUQJRQJDABFDK-NEPJUHHUSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@@H]1CN(c2ccc(C#N)nn2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067408864 793114713 /nfs/dbraw/zinc/11/47/13/793114713.db2.gz WEZLOVVQEQQAPR-YPMHNXCESA-N 1 2 325.376 0.645 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001067427286 793140642 /nfs/dbraw/zinc/14/06/42/793140642.db2.gz QAWQPDHLHKEOHH-CQSZACIVSA-N 1 2 334.420 0.308 20 30 ECEDLO CC(C)C#CC(=O)N1CCOC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001068395329 793203146 /nfs/dbraw/zinc/20/31/46/793203146.db2.gz XMTLJVTUZGLUDK-UHFFFAOYSA-N 1 2 344.415 0.062 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCOC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001068433106 793306804 /nfs/dbraw/zinc/30/68/04/793306804.db2.gz GTNXEDPNTKIKBO-GJZGRUSLSA-N 1 2 346.431 0.781 20 30 ECEDLO CCCN(C(=O)c1[nH]cnc1C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267496406 837568172 /nfs/dbraw/zinc/56/81/72/837568172.db2.gz SHKCNMDRVZFECZ-CYBMUJFWSA-N 1 2 332.408 0.284 20 30 ECEDLO CCCN(C(=O)c1[nH]cnc1C)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267496406 837568180 /nfs/dbraw/zinc/56/81/80/837568180.db2.gz SHKCNMDRVZFECZ-CYBMUJFWSA-N 1 2 332.408 0.284 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(C)nnn1CC ZINC001267530218 837702412 /nfs/dbraw/zinc/70/24/12/837702412.db2.gz NUJFMCVCJFOOJM-IYBDPMFKSA-N 1 2 345.447 0.822 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(C)nnn1CC ZINC001267530218 837702419 /nfs/dbraw/zinc/70/24/19/837702419.db2.gz NUJFMCVCJFOOJM-IYBDPMFKSA-N 1 2 345.447 0.822 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCCc2ccccn2)C1 ZINC001266245454 835550720 /nfs/dbraw/zinc/55/07/20/835550720.db2.gz BDNADMZAUCFSSE-QGZVFWFLSA-N 1 2 342.443 0.734 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCCc2ccccn2)C1 ZINC001266245454 835550727 /nfs/dbraw/zinc/55/07/27/835550727.db2.gz BDNADMZAUCFSSE-QGZVFWFLSA-N 1 2 342.443 0.734 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCC[N@@H+](C)CC(=O)N1CCCC[C@H]1C ZINC001266271573 835592803 /nfs/dbraw/zinc/59/28/03/835592803.db2.gz JTSMVVMFNPKADJ-PBHICJAKSA-N 1 2 325.453 0.763 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCC[N@H+](C)CC(=O)N1CCCC[C@H]1C ZINC001266271573 835592809 /nfs/dbraw/zinc/59/28/09/835592809.db2.gz JTSMVVMFNPKADJ-PBHICJAKSA-N 1 2 325.453 0.763 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCC[N@@H+](C)CC(=O)Nc1ccc(O)cc1 ZINC001266271652 835593622 /nfs/dbraw/zinc/59/36/22/835593622.db2.gz MSRBRKFDEHIMBD-KRWDZBQOSA-N 1 2 335.404 0.706 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCC[N@H+](C)CC(=O)Nc1ccc(O)cc1 ZINC001266271652 835593630 /nfs/dbraw/zinc/59/36/30/835593630.db2.gz MSRBRKFDEHIMBD-KRWDZBQOSA-N 1 2 335.404 0.706 20 30 ECEDLO C[C@@H]1CN(C(=O)C[N@H+](C)CCNC(=O)C#CC(C)(C)C)C[C@H](C)O1 ZINC001266272907 835595185 /nfs/dbraw/zinc/59/51/85/835595185.db2.gz GFDZZYVPLRZFTJ-GASCZTMLSA-N 1 2 337.464 0.720 20 30 ECEDLO C[C@@H]1CN(C(=O)C[N@@H+](C)CCNC(=O)C#CC(C)(C)C)C[C@H](C)O1 ZINC001266272907 835595189 /nfs/dbraw/zinc/59/51/89/835595189.db2.gz GFDZZYVPLRZFTJ-GASCZTMLSA-N 1 2 337.464 0.720 20 30 ECEDLO COc1ccc(CN2CC[NH+](CCNC(=O)C#CC3CC3)CC2)nn1 ZINC001266283199 835614259 /nfs/dbraw/zinc/61/42/59/835614259.db2.gz IHKFKESJUARSLK-UHFFFAOYSA-N 1 2 343.431 0.132 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C2CCCC2)C1 ZINC001266299390 835655850 /nfs/dbraw/zinc/65/58/50/835655850.db2.gz PTAKEZZGHFOXJW-JSGCOSHPSA-N 1 2 336.436 0.767 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C2CCCC2)C1 ZINC001266299390 835655855 /nfs/dbraw/zinc/65/58/55/835655855.db2.gz PTAKEZZGHFOXJW-JSGCOSHPSA-N 1 2 336.436 0.767 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2COc3ccccc3C2)C1 ZINC001266327350 835706577 /nfs/dbraw/zinc/70/65/77/835706577.db2.gz CZFZIRYBIIFFAL-CABCVRRESA-N 1 2 342.399 0.068 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2COc3ccccc3C2)C1 ZINC001266327350 835706581 /nfs/dbraw/zinc/70/65/81/835706581.db2.gz CZFZIRYBIIFFAL-CABCVRRESA-N 1 2 342.399 0.068 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COc3ccccc3C2)C1 ZINC001266327353 835706830 /nfs/dbraw/zinc/70/68/30/835706830.db2.gz CZFZIRYBIIFFAL-LSDHHAIUSA-N 1 2 342.399 0.068 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2COc3ccccc3C2)C1 ZINC001266327353 835706836 /nfs/dbraw/zinc/70/68/36/835706836.db2.gz CZFZIRYBIIFFAL-LSDHHAIUSA-N 1 2 342.399 0.068 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001266327851 835708168 /nfs/dbraw/zinc/70/81/68/835708168.db2.gz NEOJIDHKTOATMI-JSGCOSHPSA-N 1 2 340.383 0.770 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001266327851 835708173 /nfs/dbraw/zinc/70/81/73/835708173.db2.gz NEOJIDHKTOATMI-JSGCOSHPSA-N 1 2 340.383 0.770 20 30 ECEDLO C#Cc1ccc(C(=O)NCC[N@@H+](C)CC(=O)NC[C@H]2CCCO2)cn1 ZINC001266351062 835748365 /nfs/dbraw/zinc/74/83/65/835748365.db2.gz ZQGOMSVSPCENMS-MRXNPFEDSA-N 1 2 344.415 0.020 20 30 ECEDLO C#Cc1ccc(C(=O)NCC[N@H+](C)CC(=O)NC[C@H]2CCCO2)cn1 ZINC001266351062 835748370 /nfs/dbraw/zinc/74/83/70/835748370.db2.gz ZQGOMSVSPCENMS-MRXNPFEDSA-N 1 2 344.415 0.020 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc3c(cn2)OCCC3)C1 ZINC001266356301 835760160 /nfs/dbraw/zinc/76/01/60/835760160.db2.gz SQLCDFDAAWZEJF-AWEZNQCLSA-N 1 2 344.415 0.513 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc3c(cn2)OCCC3)C1 ZINC001266356301 835760167 /nfs/dbraw/zinc/76/01/67/835760167.db2.gz SQLCDFDAAWZEJF-AWEZNQCLSA-N 1 2 344.415 0.513 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)Cn1ccc(C(F)(F)F)n1 ZINC001266357055 835762172 /nfs/dbraw/zinc/76/21/72/835762172.db2.gz LNTMSSNZPRQVAL-UHFFFAOYSA-N 1 2 347.341 0.252 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)Cn1ccc(C(F)(F)F)n1 ZINC001266357055 835762184 /nfs/dbraw/zinc/76/21/84/835762184.db2.gz LNTMSSNZPRQVAL-UHFFFAOYSA-N 1 2 347.341 0.252 20 30 ECEDLO CCc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NCC#N)cc(=O)[nH]1 ZINC001266473944 835876287 /nfs/dbraw/zinc/87/62/87/835876287.db2.gz DNLHJMUMIVAFGK-AWEZNQCLSA-N 1 2 345.403 0.184 20 30 ECEDLO CCc1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NCC#N)cc(=O)[nH]1 ZINC001266473944 835876293 /nfs/dbraw/zinc/87/62/93/835876293.db2.gz DNLHJMUMIVAFGK-AWEZNQCLSA-N 1 2 345.403 0.184 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cn[nH]c1 ZINC001266496432 835896619 /nfs/dbraw/zinc/89/66/19/835896619.db2.gz NAFYPMNGFDWVMT-CWRNSKLLSA-N 1 2 343.431 0.155 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cn[nH]c1 ZINC001266496432 835896627 /nfs/dbraw/zinc/89/66/27/835896627.db2.gz NAFYPMNGFDWVMT-CWRNSKLLSA-N 1 2 343.431 0.155 20 30 ECEDLO C=CCCOCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001266640293 836076917 /nfs/dbraw/zinc/07/69/17/836076917.db2.gz RPLKVRJOFJCKMX-JOCQHMNTSA-N 1 2 345.403 0.352 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)C1CCC1 ZINC001266825491 836351728 /nfs/dbraw/zinc/35/17/28/836351728.db2.gz FZJOEHGPLFSCOA-AWEZNQCLSA-N 1 2 336.436 0.769 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)C1CCC1 ZINC001266825491 836351739 /nfs/dbraw/zinc/35/17/39/836351739.db2.gz FZJOEHGPLFSCOA-AWEZNQCLSA-N 1 2 336.436 0.769 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(F)cn1 ZINC001266840259 836365816 /nfs/dbraw/zinc/36/58/16/836365816.db2.gz QXJIXMSMLLIJEJ-AWEZNQCLSA-N 1 2 332.379 0.554 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(F)cn1 ZINC001266840259 836365822 /nfs/dbraw/zinc/36/58/22/836365822.db2.gz QXJIXMSMLLIJEJ-AWEZNQCLSA-N 1 2 332.379 0.554 20 30 ECEDLO C[C@@H]1CN(C(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)C#CC2CC2)CCO1 ZINC001266841912 836367232 /nfs/dbraw/zinc/36/72/32/836367232.db2.gz FBLSJJPITQABLA-NVXWUHKLSA-N 1 2 347.459 0.618 20 30 ECEDLO C[C@@H]1CN(C(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)C#CC2CC2)CCO1 ZINC001266841912 836367241 /nfs/dbraw/zinc/36/72/41/836367241.db2.gz FBLSJJPITQABLA-NVXWUHKLSA-N 1 2 347.459 0.618 20 30 ECEDLO C=CCn1cc(C(=O)N(C)CC[NH2+]Cc2nn(C)cc2Cl)nn1 ZINC001266862012 836403543 /nfs/dbraw/zinc/40/35/43/836403543.db2.gz QOKBIXZCCKBTAQ-UHFFFAOYSA-N 1 2 337.815 0.713 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CS(=O)(=O)CC ZINC001266889654 836437658 /nfs/dbraw/zinc/43/76/58/836437658.db2.gz KHZUXDQJKKPGFD-GJZGRUSLSA-N 1 2 326.462 0.900 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CS(=O)(=O)CC ZINC001266889654 836437660 /nfs/dbraw/zinc/43/76/60/836437660.db2.gz KHZUXDQJKKPGFD-GJZGRUSLSA-N 1 2 326.462 0.900 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NC[C@H](C)[NH2+]Cc1nc(CC(=O)NC)no1 ZINC001266961575 836530583 /nfs/dbraw/zinc/53/05/83/836530583.db2.gz UCHQZMIWLXCNJB-NSHDSACASA-N 1 2 337.424 0.555 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001266973126 836543540 /nfs/dbraw/zinc/54/35/40/836543540.db2.gz IFDGIHFAQMEHIV-YUTCNCBUSA-N 1 2 345.403 0.208 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N(C)CCNC(=O)c1ccc(C#N)[nH]1 ZINC001408551107 836605527 /nfs/dbraw/zinc/60/55/27/836605527.db2.gz GEUKOVBTSYDUHS-UHFFFAOYSA-N 1 2 341.371 0.721 20 30 ECEDLO C[C@H]1C[C@@H]1C(=O)NCC[N@H+](C)CC(=O)NCC#Cc1ccccc1 ZINC001267183691 836936958 /nfs/dbraw/zinc/93/69/58/836936958.db2.gz YEUZUZLMSHJRTC-RDJZCZTQSA-N 1 2 327.428 0.858 20 30 ECEDLO C[C@H]1C[C@@H]1C(=O)NCC[N@@H+](C)CC(=O)NCC#Cc1ccccc1 ZINC001267183691 836936964 /nfs/dbraw/zinc/93/69/64/836936964.db2.gz YEUZUZLMSHJRTC-RDJZCZTQSA-N 1 2 327.428 0.858 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)CC(N)=O)c1 ZINC001267210496 836998292 /nfs/dbraw/zinc/99/82/92/836998292.db2.gz IBYSUNGRNBRAPU-ZDUSSCGKSA-N 1 2 344.415 0.166 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)CC(N)=O)c1 ZINC001267210496 836998295 /nfs/dbraw/zinc/99/82/95/836998295.db2.gz IBYSUNGRNBRAPU-ZDUSSCGKSA-N 1 2 344.415 0.166 20 30 ECEDLO C[N@H+](CCNC(=O)c1c(F)ccc(F)c1F)CC(=O)NCC#N ZINC001267213718 837002236 /nfs/dbraw/zinc/00/22/36/837002236.db2.gz AJAPLPHXPRDBQT-UHFFFAOYSA-N 1 2 328.294 0.405 20 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/nfs/dbraw/zinc/12/50/90/837125090.db2.gz CNZFTOKTYKMATD-OAHLLOKOSA-N 1 2 348.447 0.414 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C1CC2(C1)CCOCC2 ZINC001267279364 837125095 /nfs/dbraw/zinc/12/50/95/837125095.db2.gz CNZFTOKTYKMATD-OAHLLOKOSA-N 1 2 348.447 0.414 20 30 ECEDLO C[C@]1(C(=O)NCC2=CC[N@H+](CC(=O)NCC#N)CC2)CCCOC1 ZINC001279660915 837244237 /nfs/dbraw/zinc/24/42/37/837244237.db2.gz HMUXYHMURQOHQG-KRWDZBQOSA-N 1 2 334.420 0.191 20 30 ECEDLO C[C@]1(C(=O)NCC2=CC[N@@H+](CC(=O)NCC#N)CC2)CCCOC1 ZINC001279660915 837244244 /nfs/dbraw/zinc/24/42/44/837244244.db2.gz HMUXYHMURQOHQG-KRWDZBQOSA-N 1 2 334.420 0.191 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)CC[NH2+]Cc1nc(CC(F)(F)F)no1 ZINC001267372003 837270464 /nfs/dbraw/zinc/27/04/64/837270464.db2.gz CAYTWVSKKOWNEA-SNVBAGLBSA-N 1 2 348.325 0.761 20 30 ECEDLO CC#CCCCC(=O)N[C@@H]1CCC[N@@H+](CCNS(=O)(=O)CC)C1 ZINC001267617016 838030997 /nfs/dbraw/zinc/03/09/97/838030997.db2.gz CAFHITSHQNWTAR-OAHLLOKOSA-N 1 2 343.493 0.700 20 30 ECEDLO 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/nfs/dbraw/zinc/31/30/82/286313082.db2.gz INZDRADSGBENEP-LVNYTYFRSA-N 1 2 339.436 0.642 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000173539738 164857191 /nfs/dbraw/zinc/85/71/91/164857191.db2.gz FQSZYRZEBVGFMT-HNNXBMFYSA-N 1 2 335.429 0.901 20 30 ECEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000194856372 165071899 /nfs/dbraw/zinc/07/18/99/165071899.db2.gz UMTRZFFYIOJHOT-UHFFFAOYSA-N 1 2 328.416 0.771 20 30 ECEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000194856372 165071902 /nfs/dbraw/zinc/07/19/02/165071902.db2.gz UMTRZFFYIOJHOT-UHFFFAOYSA-N 1 2 328.416 0.771 20 30 ECEDLO COCC[N@H+]([C@@H](C)C(N)=O)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248799893 165185471 /nfs/dbraw/zinc/18/54/71/165185471.db2.gz ZWTUTQRYLSUHHG-BBRMVZONSA-N 1 2 344.415 0.876 20 30 ECEDLO COCC[N@@H+]([C@@H](C)C(N)=O)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248799893 165185472 /nfs/dbraw/zinc/18/54/72/165185472.db2.gz ZWTUTQRYLSUHHG-BBRMVZONSA-N 1 2 344.415 0.876 20 30 ECEDLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)Cc1cccc(C#N)c1 ZINC000262097109 165290952 /nfs/dbraw/zinc/29/09/52/165290952.db2.gz VHKBDLAUNHYHBE-OAHLLOKOSA-N 1 2 345.428 0.768 20 30 ECEDLO COCC[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)Cc1ccc(C#N)cc1 ZINC000123407454 222272430 /nfs/dbraw/zinc/27/24/30/222272430.db2.gz NXNRNTIGPBMYME-CQSZACIVSA-N 1 2 346.431 0.600 20 30 ECEDLO COCC[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)Cc1ccc(C#N)cc1 ZINC000123407454 222272432 /nfs/dbraw/zinc/27/24/32/222272432.db2.gz NXNRNTIGPBMYME-CQSZACIVSA-N 1 2 346.431 0.600 20 30 ECEDLO C[C@H](O)C[NH+]1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000189287008 263163136 /nfs/dbraw/zinc/16/31/36/263163136.db2.gz XCVXWXQXKGEHRJ-AWEZNQCLSA-N 1 2 337.445 0.330 20 30 ECEDLO CCC[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@H]1CC(=O)N(C)C1=O ZINC000282378879 264038374 /nfs/dbraw/zinc/03/83/74/264038374.db2.gz CSUHHRVKWIRCIR-AWEZNQCLSA-N 1 2 328.372 0.966 20 30 ECEDLO CCC[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@H]1CC(=O)N(C)C1=O ZINC000282378879 264038375 /nfs/dbraw/zinc/03/83/75/264038375.db2.gz CSUHHRVKWIRCIR-AWEZNQCLSA-N 1 2 328.372 0.966 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000283499471 264123072 /nfs/dbraw/zinc/12/30/72/264123072.db2.gz AOLQZYWYVDMCRG-ZIAGYGMSSA-N 1 2 344.415 0.572 20 30 ECEDLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000288466791 264528272 /nfs/dbraw/zinc/52/82/72/264528272.db2.gz WLYUSWOHTXLGDR-INIZCTEOSA-N 1 2 337.445 0.777 20 30 ECEDLO C[C@@H]1COCC[N@@H+]1CCN1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000369190508 267068011 /nfs/dbraw/zinc/06/80/11/267068011.db2.gz YZUZVCUPYICXQB-MRXNPFEDSA-N 1 2 342.443 0.923 20 30 ECEDLO C[C@@H]1COCC[N@H+]1CCN1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000369190508 267068014 /nfs/dbraw/zinc/06/80/14/267068014.db2.gz YZUZVCUPYICXQB-MRXNPFEDSA-N 1 2 342.443 0.923 20 30 ECEDLO C[C@@H]1OCC[C@H]1[N@H+](CCO)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000361579166 267099847 /nfs/dbraw/zinc/09/98/47/267099847.db2.gz BIYSRMLLRVJNNH-XJKSGUPXSA-N 1 2 338.429 0.804 20 30 ECEDLO C[C@@H]1OCC[C@H]1[N@@H+](CCO)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000361579166 267099849 /nfs/dbraw/zinc/09/98/49/267099849.db2.gz BIYSRMLLRVJNNH-XJKSGUPXSA-N 1 2 338.429 0.804 20 30 ECEDLO C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352036528 267105139 /nfs/dbraw/zinc/10/51/39/267105139.db2.gz HIRQXDUVQPJMHM-XOKHGSTOSA-N 1 2 328.416 0.880 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC000341894865 267241982 /nfs/dbraw/zinc/24/19/82/267241982.db2.gz JYTZOYBSDWKBHI-KBPBESRZSA-N 1 2 349.460 0.684 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC000341894865 267241984 /nfs/dbraw/zinc/24/19/84/267241984.db2.gz JYTZOYBSDWKBHI-KBPBESRZSA-N 1 2 349.460 0.684 20 30 ECEDLO C[C@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000340508960 267252532 /nfs/dbraw/zinc/25/25/32/267252532.db2.gz BWIIGBHZBFYMFM-GXTWGEPZSA-N 1 2 343.387 0.213 20 30 ECEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000332481404 267303004 /nfs/dbraw/zinc/30/30/04/267303004.db2.gz VMGWBCOKIYHSDD-HOTGVXAUSA-N 1 2 342.399 0.737 20 30 ECEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000332481404 267303008 /nfs/dbraw/zinc/30/30/08/267303008.db2.gz VMGWBCOKIYHSDD-HOTGVXAUSA-N 1 2 342.399 0.737 20 30 ECEDLO N#Cc1ccc(C(=O)NCC(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cc1 ZINC000374383392 268030354 /nfs/dbraw/zinc/03/03/54/268030354.db2.gz DYWPGUBGDWYPJE-KRWDZBQOSA-N 1 2 349.394 0.856 20 30 ECEDLO Cc1nn(C)c(N2CCN(C(=O)CCc3c[nH+]cn3C)CC2)c1C#N ZINC000530295265 268090187 /nfs/dbraw/zinc/09/01/87/268090187.db2.gz RXOJYXBVMQZOTN-UHFFFAOYSA-N 1 2 341.419 0.615 20 30 ECEDLO Cn1[nH]c([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccccc2C#N)nc1=N ZINC000528485379 268108569 /nfs/dbraw/zinc/10/85/69/268108569.db2.gz BIMBZLCJBTXWDJ-KGLIPLIRSA-N 1 2 342.403 0.676 20 30 ECEDLO Cn1[nH]c([C@@H]2CCC[N@H+]2C[C@@H](O)COc2ccccc2C#N)nc1=N ZINC000528485379 268108571 /nfs/dbraw/zinc/10/85/71/268108571.db2.gz BIMBZLCJBTXWDJ-KGLIPLIRSA-N 1 2 342.403 0.676 20 30 ECEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@H](S(N)(=O)=O)C3)C2=O)cc1 ZINC000331479246 268110231 /nfs/dbraw/zinc/11/02/31/268110231.db2.gz QCIJONGLCORUPR-LSDHHAIUSA-N 1 2 348.428 0.416 20 30 ECEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CC[C@H](S(N)(=O)=O)C3)C2=O)cc1 ZINC000331479246 268110233 /nfs/dbraw/zinc/11/02/33/268110233.db2.gz QCIJONGLCORUPR-LSDHHAIUSA-N 1 2 348.428 0.416 20 30 ECEDLO N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)nc1 ZINC000340137714 268136164 /nfs/dbraw/zinc/13/61/64/268136164.db2.gz IGVSKFQGUZSQGD-CYBMUJFWSA-N 1 2 336.355 0.682 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@]3(CNC(=O)C3)C2)cc1 ZINC000278756363 268188347 /nfs/dbraw/zinc/18/83/47/268188347.db2.gz BEUZELYCCSZANC-INIZCTEOSA-N 1 2 333.413 0.544 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@]3(CNC(=O)C3)C2)cc1 ZINC000278756363 268188350 /nfs/dbraw/zinc/18/83/50/268188350.db2.gz BEUZELYCCSZANC-INIZCTEOSA-N 1 2 333.413 0.544 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)o1 ZINC000288128635 268195240 /nfs/dbraw/zinc/19/52/40/268195240.db2.gz MMOGJOQYMXRCAU-LBPRGKRZSA-N 1 2 325.390 0.494 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)o1 ZINC000376359367 268203245 /nfs/dbraw/zinc/20/32/45/268203245.db2.gz NFPLPQWRMGVSKQ-WCQYABFASA-N 1 2 325.390 0.683 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)o1 ZINC000376359367 268203246 /nfs/dbraw/zinc/20/32/46/268203246.db2.gz NFPLPQWRMGVSKQ-WCQYABFASA-N 1 2 325.390 0.683 20 30 ECEDLO N#Cc1ccc([C@H](O)CN2CC[NH+]([C@H]3CCCCNC3=O)CC2)cc1 ZINC000372006541 268214715 /nfs/dbraw/zinc/21/47/15/268214715.db2.gz LLOMEABXZCIPPT-ZWKOTPCHSA-N 1 2 342.443 0.878 20 30 ECEDLO N#Cc1ccc([C@H](O)C[NH+]2CCN([C@H]3CCCCNC3=O)CC2)cc1 ZINC000372006541 268214718 /nfs/dbraw/zinc/21/47/18/268214718.db2.gz LLOMEABXZCIPPT-ZWKOTPCHSA-N 1 2 342.443 0.878 20 30 ECEDLO N#Cc1ncccc1S(=O)(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000277206190 268329138 /nfs/dbraw/zinc/32/91/38/268329138.db2.gz QDWNACVNCBMEPH-ZDUSSCGKSA-N 1 2 336.417 0.296 20 30 ECEDLO N#Cc1ncccc1S(=O)(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000277167707 268330992 /nfs/dbraw/zinc/33/09/92/268330992.db2.gz MLOMSCUGLNYSAE-LBPRGKRZSA-N 1 2 329.385 0.905 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CC(=O)N(c4ccccc4)C3)C[C@@H]21 ZINC000329726477 277121712 /nfs/dbraw/zinc/12/17/12/277121712.db2.gz OMEMMDFHARCWQA-VNQPRFMTSA-N 1 2 344.415 0.721 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CC(=O)N(c4ccccc4)C3)C[C@@H]21 ZINC000329726477 277121713 /nfs/dbraw/zinc/12/17/13/277121713.db2.gz OMEMMDFHARCWQA-VNQPRFMTSA-N 1 2 344.415 0.721 20 30 ECEDLO C[C@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@@H]1n1cc[nH+]c1 ZINC000134035875 278369374 /nfs/dbraw/zinc/36/93/74/278369374.db2.gz JYMKPVWIOINKST-AAEUAGOBSA-N 1 2 328.376 0.240 20 30 ECEDLO CC(C)(CC#N)CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000422491797 278593096 /nfs/dbraw/zinc/59/30/96/278593096.db2.gz UQHIWXWCLOLERQ-AWEZNQCLSA-N 1 2 336.436 0.366 20 30 ECEDLO Cc1onc(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1C#N ZINC000354388315 437604145 /nfs/dbraw/zinc/60/41/45/437604145.db2.gz LAXQARYGBQSMID-UHFFFAOYSA-N 1 2 331.376 0.472 20 30 ECEDLO CCCn1c(N)c(C(=O)C[NH+]2CCC(C)(C#N)CC2)c(=O)[nH]c1=O ZINC000330772312 437612692 /nfs/dbraw/zinc/61/26/92/437612692.db2.gz DHEYQPNIPIHWBX-UHFFFAOYSA-N 1 2 333.392 0.749 20 30 ECEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C([O-])=[NH+][C@H]1CCc2c[nH]nc2C1 ZINC000329543040 289044355 /nfs/dbraw/zinc/04/43/55/289044355.db2.gz FCHMAJSBJSVHLM-IVMMDQJWSA-N 1 2 333.436 0.976 20 30 ECEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000329543040 289044357 /nfs/dbraw/zinc/04/43/57/289044357.db2.gz FCHMAJSBJSVHLM-IVMMDQJWSA-N 1 2 333.436 0.976 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000333168485 298135641 /nfs/dbraw/zinc/13/56/41/298135641.db2.gz PFRGWKMNEVXZAK-PXAZEXFGSA-N 1 2 347.419 0.392 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000333168485 298135644 /nfs/dbraw/zinc/13/56/44/298135644.db2.gz PFRGWKMNEVXZAK-PXAZEXFGSA-N 1 2 347.419 0.392 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2O)CC1 ZINC000024249612 436132829 /nfs/dbraw/zinc/13/28/29/436132829.db2.gz GIYPKSJAJRUJPW-ZDUSSCGKSA-N 1 2 332.404 0.915 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCO[C@H](C)C3)CC2)o1 ZINC000029711685 436206967 /nfs/dbraw/zinc/20/69/67/436206967.db2.gz OJTQLLVKPXWXRD-GFCCVEGCSA-N 1 2 333.392 0.224 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCO[C@H](C)C3)CC2)o1 ZINC000029711685 436206970 /nfs/dbraw/zinc/20/69/70/436206970.db2.gz OJTQLLVKPXWXRD-GFCCVEGCSA-N 1 2 333.392 0.224 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1nnnn1-c1ccccc1 ZINC000078720771 436275688 /nfs/dbraw/zinc/27/56/88/436275688.db2.gz GWVYNVFXSFAMHY-UHFFFAOYSA-N 1 2 341.419 0.710 20 30 ECEDLO C[C@@H](C(=O)Nc1ccccc1C#N)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000083245862 436371111 /nfs/dbraw/zinc/37/11/11/436371111.db2.gz BTUHNQQEBBBYIX-HOCLYGCPSA-N 1 2 346.431 0.510 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CC1 ZINC000089996297 436425557 /nfs/dbraw/zinc/42/55/57/436425557.db2.gz URKOVTWTLCMBPK-UHFFFAOYSA-N 1 2 325.372 0.946 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000052685261 436514690 /nfs/dbraw/zinc/51/46/90/436514690.db2.gz MZYZVLAZBIKUCO-MRXNPFEDSA-N 1 2 336.480 0.697 20 30 ECEDLO C=CCNC(=O)[C@@H](C)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000052685261 436514693 /nfs/dbraw/zinc/51/46/93/436514693.db2.gz MZYZVLAZBIKUCO-MRXNPFEDSA-N 1 2 336.480 0.697 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000051734643 436496065 /nfs/dbraw/zinc/49/60/65/436496065.db2.gz HMPHSASGNJDGMY-HIFRSBDPSA-N 1 2 344.481 0.445 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000051734643 436496067 /nfs/dbraw/zinc/49/60/67/436496067.db2.gz HMPHSASGNJDGMY-HIFRSBDPSA-N 1 2 344.481 0.445 20 30 ECEDLO CN(CCC#N)S(=O)(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000053673420 436537887 /nfs/dbraw/zinc/53/78/87/436537887.db2.gz YEBDNHAQTHVTGT-UHFFFAOYSA-N 1 2 328.463 0.786 20 30 ECEDLO CN(CCC#N)S(=O)(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000053673420 436537891 /nfs/dbraw/zinc/53/78/91/436537891.db2.gz YEBDNHAQTHVTGT-UHFFFAOYSA-N 1 2 328.463 0.786 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000097131926 436538816 /nfs/dbraw/zinc/53/88/16/436538816.db2.gz XUQHUMFRBQSEEP-GFCCVEGCSA-N 1 2 329.429 0.951 20 30 ECEDLO Cc1noc([C@H](C)N2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)n1 ZINC000105864256 436581375 /nfs/dbraw/zinc/58/13/75/436581375.db2.gz PAQODXRUOJOZQF-STQMWFEESA-N 1 2 334.424 0.817 20 30 ECEDLO Cc1cc(C)n(C[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO2)n1 ZINC000105893457 436584653 /nfs/dbraw/zinc/58/46/53/436584653.db2.gz IHPUIIBAXJLESJ-HOTGVXAUSA-N 1 2 333.436 0.961 20 30 ECEDLO Cc1cc(C)n(C[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO2)n1 ZINC000105893457 436584655 /nfs/dbraw/zinc/58/46/55/436584655.db2.gz IHPUIIBAXJLESJ-HOTGVXAUSA-N 1 2 333.436 0.961 20 30 ECEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2nccc(OC)n2)CC1 ZINC000064248513 436647723 /nfs/dbraw/zinc/64/77/23/436647723.db2.gz HDXCYNFZGKHJFY-UHFFFAOYSA-N 1 2 332.408 0.369 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3CF)CC2)o1 ZINC000550410064 302345808 /nfs/dbraw/zinc/34/58/08/302345808.db2.gz KODZNGSKOVBVKR-CYBMUJFWSA-N 1 2 335.383 0.937 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@@H]3CF)CC2)o1 ZINC000550410064 302345809 /nfs/dbraw/zinc/34/58/09/302345809.db2.gz KODZNGSKOVBVKR-CYBMUJFWSA-N 1 2 335.383 0.937 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[C@@H]3C(N)=O)CC2)cc1 ZINC000552798092 302397791 /nfs/dbraw/zinc/39/77/91/302397791.db2.gz BRKITRNYXOIINI-JKSUJKDBSA-N 1 2 326.400 0.714 20 30 ECEDLO C#CC[N@@H+](C[C@@H](O)COc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000066538231 436688201 /nfs/dbraw/zinc/68/82/01/436688201.db2.gz JBESXHASBRQEQH-HZPDHXFCSA-N 1 2 337.441 0.857 20 30 ECEDLO C#CC[N@H+](C[C@@H](O)COc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000066538231 436688205 /nfs/dbraw/zinc/68/82/05/436688205.db2.gz JBESXHASBRQEQH-HZPDHXFCSA-N 1 2 337.441 0.857 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000120678954 436695224 /nfs/dbraw/zinc/69/52/24/436695224.db2.gz CQZPAGDJWKCZEA-DZGCQCFKSA-N 1 2 342.465 0.197 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000120678954 436695228 /nfs/dbraw/zinc/69/52/28/436695228.db2.gz CQZPAGDJWKCZEA-DZGCQCFKSA-N 1 2 342.465 0.197 20 30 ECEDLO CCN(CCC#N)C(=O)C[NH2+][C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000120782822 436697297 /nfs/dbraw/zinc/69/72/97/436697297.db2.gz YLMXNTGGMOLHPZ-GFCCVEGCSA-N 1 2 346.395 0.904 20 30 ECEDLO C=CCNC(=O)CNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000272218533 436709849 /nfs/dbraw/zinc/70/98/49/436709849.db2.gz HJHDNFGZLXNUTB-UHFFFAOYSA-N 1 2 333.392 0.650 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000067411460 436713233 /nfs/dbraw/zinc/71/32/33/436713233.db2.gz ZGCOHOLBMUICDS-UHFFFAOYSA-N 1 2 345.834 0.855 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000194498011 436667930 /nfs/dbraw/zinc/66/79/30/436667930.db2.gz DAEVRIUQHDVFIA-ZDUSSCGKSA-N 1 2 344.419 0.993 20 30 ECEDLO COc1ccc(C(N)=[NH+]OCCCN2C(=O)CNC2=O)cc1OC ZINC000270304761 436672224 /nfs/dbraw/zinc/67/22/24/436672224.db2.gz XMYAEWOVLLWAPF-UHFFFAOYSA-N 1 2 336.348 0.283 20 30 ECEDLO N#CCCCCS(=O)(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000068898336 436758108 /nfs/dbraw/zinc/75/81/08/436758108.db2.gz AOAHVTSEBKKZML-AWEZNQCLSA-N 1 2 347.506 0.808 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cc1 ZINC000274235399 436808448 /nfs/dbraw/zinc/80/84/48/436808448.db2.gz PZZQEMPHNAKTQB-MRXNPFEDSA-N 1 2 341.415 0.710 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cc1 ZINC000274235399 436808451 /nfs/dbraw/zinc/80/84/51/436808451.db2.gz PZZQEMPHNAKTQB-MRXNPFEDSA-N 1 2 341.415 0.710 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(NC(N)=O)CC2)c1 ZINC000156832127 436821232 /nfs/dbraw/zinc/82/12/32/436821232.db2.gz PORZLUZKMOFRGO-UHFFFAOYSA-N 1 2 336.417 0.465 20 30 ECEDLO C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000126304661 436784622 /nfs/dbraw/zinc/78/46/22/436784622.db2.gz UROOOMSBDCKHIF-SWLSCSKDSA-N 1 2 335.429 0.682 20 30 ECEDLO C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000126304661 436784625 /nfs/dbraw/zinc/78/46/25/436784625.db2.gz UROOOMSBDCKHIF-SWLSCSKDSA-N 1 2 335.429 0.682 20 30 ECEDLO C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000126305308 436785176 /nfs/dbraw/zinc/78/51/76/436785176.db2.gz UROOOMSBDCKHIF-DOMZBBRYSA-N 1 2 335.429 0.682 20 30 ECEDLO C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000126305308 436785177 /nfs/dbraw/zinc/78/51/77/436785177.db2.gz UROOOMSBDCKHIF-DOMZBBRYSA-N 1 2 335.429 0.682 20 30 ECEDLO C[C@H](NC(=O)N(CCO)CC[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000158507364 436847445 /nfs/dbraw/zinc/84/74/45/436847445.db2.gz UPIOGMWITBPMFN-HNNXBMFYSA-N 1 2 346.431 0.955 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccn(CC(F)(F)F)n2)CC1 ZINC000161848859 436899136 /nfs/dbraw/zinc/89/91/36/436899136.db2.gz IBUUVOZDNOMHDL-UHFFFAOYSA-N 1 2 329.326 0.635 20 30 ECEDLO NC(CCO)=[NH+]OCC(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC000275432234 436967158 /nfs/dbraw/zinc/96/71/58/436967158.db2.gz GFSNFDFHBAABHC-UHFFFAOYSA-N 1 2 349.309 0.872 20 30 ECEDLO COc1cc(C)c([C@@H](C)NC(=O)CO[NH+]=C(N)CCO)cc1OC ZINC000275487261 436974472 /nfs/dbraw/zinc/97/44/72/436974472.db2.gz OEJQECWNTSWCSW-LLVKDONJSA-N 1 2 339.392 0.861 20 30 ECEDLO COc1cc(C)c([C@H](C)NC(=O)CO[NH+]=C(N)CCO)cc1OC ZINC000275487264 436974696 /nfs/dbraw/zinc/97/46/96/436974696.db2.gz OEJQECWNTSWCSW-NSHDSACASA-N 1 2 339.392 0.861 20 30 ECEDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000295787453 436979009 /nfs/dbraw/zinc/97/90/09/436979009.db2.gz ZJZXUTDTPGQXJI-CQSZACIVSA-N 1 2 335.408 0.805 20 30 ECEDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000295787453 436979011 /nfs/dbraw/zinc/97/90/11/436979011.db2.gz ZJZXUTDTPGQXJI-CQSZACIVSA-N 1 2 335.408 0.805 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000294216673 436941925 /nfs/dbraw/zinc/94/19/25/436941925.db2.gz AOTTXCMNGSKYQN-GFCCVEGCSA-N 1 2 328.376 0.050 20 30 ECEDLO C=CCn1c(=O)n(CC=C)c(=O)n(Cc2[nH+]ccn2C(F)F)c1=O ZINC000281566185 436981557 /nfs/dbraw/zinc/98/15/57/436981557.db2.gz YOQLGTVHLFZCCF-UHFFFAOYSA-N 1 2 339.302 0.184 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NC(=O)NCc2ccco2)C1=O ZINC000281282785 436959971 /nfs/dbraw/zinc/95/99/71/436959971.db2.gz IUNFUUFNCMJGCD-CYBMUJFWSA-N 1 2 334.376 0.324 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NC(=O)NCc2ccco2)C1=O ZINC000281282785 436959975 /nfs/dbraw/zinc/95/99/75/436959975.db2.gz IUNFUUFNCMJGCD-CYBMUJFWSA-N 1 2 334.376 0.324 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000283080783 437023156 /nfs/dbraw/zinc/02/31/56/437023156.db2.gz VSRPFTQCPPZIGT-AWEZNQCLSA-N 1 2 337.449 0.678 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000298151468 437028918 /nfs/dbraw/zinc/02/89/18/437028918.db2.gz AVLLNJBRWNDHGJ-ZDUSSCGKSA-N 1 2 332.404 0.915 20 30 ECEDLO COCC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000172995637 437034786 /nfs/dbraw/zinc/03/47/86/437034786.db2.gz JRRFGPHMEXMIRF-UHFFFAOYSA-N 1 2 327.381 0.650 20 30 ECEDLO COC(=O)CN(CCOc1ccccc1C#N)CC[NH+]1CCOCC1 ZINC000264597595 437050562 /nfs/dbraw/zinc/05/05/62/437050562.db2.gz ITACONXPSXKWEI-UHFFFAOYSA-N 1 2 347.415 0.744 20 30 ECEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000299337518 437071344 /nfs/dbraw/zinc/07/13/44/437071344.db2.gz QDKWSCDARDRHPN-KBPBESRZSA-N 1 2 347.440 0.468 20 30 ECEDLO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1COC[C@H]1O ZINC000285434732 437079711 /nfs/dbraw/zinc/07/97/11/437079711.db2.gz CMHZWWXTPMDFFB-HUUCEWRRSA-N 1 2 341.371 0.374 20 30 ECEDLO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1COC[C@H]1O ZINC000285434732 437079714 /nfs/dbraw/zinc/07/97/14/437079714.db2.gz CMHZWWXTPMDFFB-HUUCEWRRSA-N 1 2 341.371 0.374 20 30 ECEDLO N#CCCN(C(=O)C[N@H+]1CC[C@H](S(N)(=O)=O)C1)c1ccccc1 ZINC000357360244 303151890 /nfs/dbraw/zinc/15/18/90/303151890.db2.gz CIEOEAPRNNHMNC-AWEZNQCLSA-N 1 2 336.417 0.296 20 30 ECEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@H](S(N)(=O)=O)C1)c1ccccc1 ZINC000357360244 303151893 /nfs/dbraw/zinc/15/18/93/303151893.db2.gz CIEOEAPRNNHMNC-AWEZNQCLSA-N 1 2 336.417 0.296 20 30 ECEDLO C#CCNc1nc(N(C)[C@@H](C)COC)nc(N(C)[C@@H](C)COC)[nH+]1 ZINC000286221076 437089239 /nfs/dbraw/zinc/08/92/39/437089239.db2.gz GYNHCBJDCQWQSX-STQMWFEESA-N 1 2 336.440 0.859 20 30 ECEDLO C#CCNc1nc(N(C)[C@@H](C)COC)[nH+]c(N(C)[C@@H](C)COC)n1 ZINC000286221076 437089243 /nfs/dbraw/zinc/08/92/43/437089243.db2.gz GYNHCBJDCQWQSX-STQMWFEESA-N 1 2 336.440 0.859 20 30 ECEDLO CC(C)[C@H](CNS(=O)(=O)c1ccc(C#N)o1)[NH+]1CCOCC1 ZINC000286536177 437098508 /nfs/dbraw/zinc/09/85/08/437098508.db2.gz GSTATBWJDJCSOQ-ZDUSSCGKSA-N 1 2 327.406 0.786 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CCN1c1[nH+]cnc2c1cnn2C ZINC000176801146 437157553 /nfs/dbraw/zinc/15/75/53/437157553.db2.gz HSDNPFDMHISBIB-NSHDSACASA-N 1 2 335.375 0.740 20 30 ECEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@@H](CNC(C)=O)C1 ZINC000265867847 437204238 /nfs/dbraw/zinc/20/42/38/437204238.db2.gz UTTBQICUNNMBGC-HNNXBMFYSA-N 1 2 333.388 0.783 20 30 ECEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@@H](CNC(C)=O)C1 ZINC000265867847 437204243 /nfs/dbraw/zinc/20/42/43/437204243.db2.gz UTTBQICUNNMBGC-HNNXBMFYSA-N 1 2 333.388 0.783 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c1 ZINC000325831401 437232142 /nfs/dbraw/zinc/23/21/42/437232142.db2.gz VDKAPSXPUBVCGB-HOCLYGCPSA-N 1 2 347.440 0.932 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c1 ZINC000325831401 437232144 /nfs/dbraw/zinc/23/21/44/437232144.db2.gz VDKAPSXPUBVCGB-HOCLYGCPSA-N 1 2 347.440 0.932 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCn3cc[nH+]c3C2)CC1 ZINC000332700986 437244882 /nfs/dbraw/zinc/24/48/82/437244882.db2.gz SLYAKZZSRXIJIF-HNNXBMFYSA-N 1 2 330.436 0.391 20 30 ECEDLO N#CCN1CCC[C@@H](CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000332836425 437251345 /nfs/dbraw/zinc/25/13/45/437251345.db2.gz FGMCKGOPLBFXAU-RDJZCZTQSA-N 1 2 334.464 0.982 20 30 ECEDLO N#CCN1CCC[C@@H](CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000332836425 437251350 /nfs/dbraw/zinc/25/13/50/437251350.db2.gz FGMCKGOPLBFXAU-RDJZCZTQSA-N 1 2 334.464 0.982 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000266849735 437254090 /nfs/dbraw/zinc/25/40/90/437254090.db2.gz CNBHPLJFLVBILS-UHFFFAOYSA-N 1 2 343.431 0.768 20 30 ECEDLO Cc1[nH]c2ccnn2c(=O)c1CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000329078719 437313774 /nfs/dbraw/zinc/31/37/74/437313774.db2.gz BRDONVIXYATSDL-LLVKDONJSA-N 1 2 333.392 0.551 20 30 ECEDLO Cc1[nH]c2ccnn2c(=O)c1CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000329078719 437313781 /nfs/dbraw/zinc/31/37/81/437313781.db2.gz BRDONVIXYATSDL-LLVKDONJSA-N 1 2 333.392 0.551 20 30 ECEDLO CCOC1CC(CNC(=O)c2ccc(C#N)[nH]2)([NH+]2CCOCC2)C1 ZINC000278522136 437319547 /nfs/dbraw/zinc/31/95/47/437319547.db2.gz YWOHLABCMRTULQ-UHFFFAOYSA-N 1 2 332.404 0.886 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCC(=O)N3CCCCC3)C[C@@H]21 ZINC000328867945 437274786 /nfs/dbraw/zinc/27/47/86/437274786.db2.gz HDPOKUGRXPXBPK-LSDHHAIUSA-N 1 2 338.452 0.708 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCC(=O)N3CCCCC3)C[C@@H]21 ZINC000328867945 437274791 /nfs/dbraw/zinc/27/47/91/437274791.db2.gz HDPOKUGRXPXBPK-LSDHHAIUSA-N 1 2 338.452 0.708 20 30 ECEDLO N#Cc1cccc(-c2nc(CC(=O)NCC[NH+]3CCOCC3)no2)c1 ZINC000278093520 437279234 /nfs/dbraw/zinc/27/92/34/437279234.db2.gz XWEJFDQCGPXIPI-UHFFFAOYSA-N 1 2 341.371 0.599 20 30 ECEDLO CC[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)C[C@@H](C)S1(=O)=O ZINC000329243454 437341022 /nfs/dbraw/zinc/34/10/22/437341022.db2.gz SWVFJUNAZIESRT-MGPQQGTHSA-N 1 2 347.481 0.519 20 30 ECEDLO CC[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)C[C@@H](C)S1(=O)=O ZINC000329243454 437341027 /nfs/dbraw/zinc/34/10/27/437341027.db2.gz SWVFJUNAZIESRT-MGPQQGTHSA-N 1 2 347.481 0.519 20 30 ECEDLO COCCNC(=O)C[NH+]1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000267973740 437349045 /nfs/dbraw/zinc/34/90/45/437349045.db2.gz WGQIYCBGFFAXKM-UHFFFAOYSA-N 1 2 347.375 0.351 20 30 ECEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cc(-n4cnnn4)ccc3F)C[C@@H]21 ZINC000329367790 437357042 /nfs/dbraw/zinc/35/70/42/437357042.db2.gz JAMDMMCETTYHGK-KBPBESRZSA-N 1 2 347.354 0.362 20 30 ECEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cc(-n4cnnn4)ccc3F)C[C@@H]21 ZINC000329367790 437357047 /nfs/dbraw/zinc/35/70/47/437357047.db2.gz JAMDMMCETTYHGK-KBPBESRZSA-N 1 2 347.354 0.362 20 30 ECEDLO CN1C(=O)N[C@]2(CCN(C(=O)NCc3cn4ccccc4[nH+]3)C2)C1=O ZINC000329434816 437369907 /nfs/dbraw/zinc/36/99/07/437369907.db2.gz JHHWTNGICUZDAI-INIZCTEOSA-N 1 2 342.359 0.579 20 30 ECEDLO N#Cc1cccc(-c2cc(C(=O)NC[C@@H]3C[NH+]4CCN3CC4)on2)c1 ZINC000279085903 437371229 /nfs/dbraw/zinc/37/12/29/437371229.db2.gz BUUUPPCJYOXOLN-OAHLLOKOSA-N 1 2 337.383 0.943 20 30 ECEDLO C[C@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)CCN1S(C)(=O)=O ZINC000181930072 437332273 /nfs/dbraw/zinc/33/22/73/437332273.db2.gz RQXCZYQPOHJSPF-LBPRGKRZSA-N 1 2 333.417 0.672 20 30 ECEDLO CC(C)[C@H](C(=O)NCC[NH+]1CCOCC1)N1CCCS1(=O)=O ZINC000329204490 437334146 /nfs/dbraw/zinc/33/41/46/437334146.db2.gz WRNJSVOBBTUNOR-CYBMUJFWSA-N 1 2 333.454 0.335 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCCc3ccc4c(c3)OCCO4)C[C@@H]21 ZINC000329744330 437407963 /nfs/dbraw/zinc/40/79/63/437407963.db2.gz XTGXBWXAOWIGBW-WMLDXEAASA-N 1 2 347.415 0.929 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCCc3ccc4c(c3)OCCO4)C[C@@H]21 ZINC000329744330 437407965 /nfs/dbraw/zinc/40/79/65/437407965.db2.gz XTGXBWXAOWIGBW-WMLDXEAASA-N 1 2 347.415 0.929 20 30 ECEDLO N#Cc1cncc(S(=O)(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000289511636 437417890 /nfs/dbraw/zinc/41/78/90/437417890.db2.gz QZVSNMCDHVHSRO-CYBMUJFWSA-N 1 2 336.417 0.296 20 30 ECEDLO CC[C@@H]1CC[C@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)O1 ZINC000329828104 437417998 /nfs/dbraw/zinc/41/79/98/437417998.db2.gz RSZPNCZMQBRHRN-RRFJBIMHSA-N 1 2 339.436 0.834 20 30 ECEDLO CN(C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)[C@@H]1CCOC1 ZINC000329847202 437420192 /nfs/dbraw/zinc/42/01/92/437420192.db2.gz PFRJVZBPZCJALO-CQSZACIVSA-N 1 2 347.419 0.735 20 30 ECEDLO O=C(N[C@H]1CCCS(=O)(=O)C1)N1CC[NH+](C2CCOCC2)CC1 ZINC000329858988 437422721 /nfs/dbraw/zinc/42/27/21/437422721.db2.gz WJQDRCYPLUTRQU-ZDUSSCGKSA-N 1 2 345.465 0.274 20 30 ECEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC000329510980 437378763 /nfs/dbraw/zinc/37/87/63/437378763.db2.gz KGAPUTYCQSMGQD-OFQRWUPVSA-N 1 2 339.436 0.549 20 30 ECEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC000329510980 437378767 /nfs/dbraw/zinc/37/87/67/437378767.db2.gz KGAPUTYCQSMGQD-OFQRWUPVSA-N 1 2 339.436 0.549 20 30 ECEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccccn2)CC1)n1cnc(C#N)n1 ZINC000337887115 437382344 /nfs/dbraw/zinc/38/23/44/437382344.db2.gz DXIFEDXHXNUQSU-ZDUSSCGKSA-N 1 2 325.376 0.450 20 30 ECEDLO COCCOCC[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289121826 437382805 /nfs/dbraw/zinc/38/28/05/437382805.db2.gz WZCSRRAUSAVSNZ-UHFFFAOYSA-N 1 2 327.406 0.322 20 30 ECEDLO COCCOCC[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289121826 437382810 /nfs/dbraw/zinc/38/28/10/437382810.db2.gz WZCSRRAUSAVSNZ-UHFFFAOYSA-N 1 2 327.406 0.322 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000279263078 437387720 /nfs/dbraw/zinc/38/77/20/437387720.db2.gz IOAVNIQNWOLNQF-CQSZACIVSA-N 1 2 330.384 0.946 20 30 ECEDLO Cc1nnc2n1C[C@@H](C[NH+]=C([O-])N1C[C@H]3OCC[N@@H+](C)[C@H]3C1)CC2 ZINC000329595279 437389528 /nfs/dbraw/zinc/38/95/28/437389528.db2.gz ICUBKYDBJHHPLM-HZSPNIEDSA-N 1 2 334.424 0.078 20 30 ECEDLO Cc1nnc2n1C[C@@H](C[NH+]=C([O-])N1C[C@H]3OCC[N@H+](C)[C@H]3C1)CC2 ZINC000329595279 437389532 /nfs/dbraw/zinc/38/95/32/437389532.db2.gz ICUBKYDBJHHPLM-HZSPNIEDSA-N 1 2 334.424 0.078 20 30 ECEDLO Cc1nnc2n1C[C@@H](CNC(=O)N1C[C@H]3OCC[N@@H+](C)[C@H]3C1)CC2 ZINC000329595279 437389534 /nfs/dbraw/zinc/38/95/34/437389534.db2.gz ICUBKYDBJHHPLM-HZSPNIEDSA-N 1 2 334.424 0.078 20 30 ECEDLO Cc1nnc2n1C[C@@H](CNC(=O)N1C[C@H]3OCC[N@H+](C)[C@H]3C1)CC2 ZINC000329595279 437389537 /nfs/dbraw/zinc/38/95/37/437389537.db2.gz ICUBKYDBJHHPLM-HZSPNIEDSA-N 1 2 334.424 0.078 20 30 ECEDLO COCc1nc(CNC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cs1 ZINC000329607206 437391269 /nfs/dbraw/zinc/39/12/69/437391269.db2.gz CHSSTROIYNTYIY-NWDGAFQWSA-N 1 2 326.422 0.718 20 30 ECEDLO COCc1nc(CNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cs1 ZINC000329607206 437391271 /nfs/dbraw/zinc/39/12/71/437391271.db2.gz CHSSTROIYNTYIY-NWDGAFQWSA-N 1 2 326.422 0.718 20 30 ECEDLO C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329624402 437393421 /nfs/dbraw/zinc/39/34/21/437393421.db2.gz SJGUMUBJFOWNDD-CMPLNLGQSA-N 1 2 326.422 0.656 20 30 ECEDLO COc1cc(N2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)ncn1 ZINC000184071933 437395101 /nfs/dbraw/zinc/39/51/01/437395101.db2.gz BVLKNMUIKZVXCF-CYBMUJFWSA-N 1 2 332.408 0.368 20 30 ECEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000184057542 437396391 /nfs/dbraw/zinc/39/63/91/437396391.db2.gz NXGHENYLQYVNDT-DOTOQJQBSA-N 1 2 334.416 0.602 20 30 ECEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000184057542 437396392 /nfs/dbraw/zinc/39/63/92/437396392.db2.gz NXGHENYLQYVNDT-DOTOQJQBSA-N 1 2 334.416 0.602 20 30 ECEDLO CO[C@@H]1CC[C@@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000329927567 437433030 /nfs/dbraw/zinc/43/30/30/437433030.db2.gz XCERHJCLOLWRTC-ZIAGYGMSSA-N 1 2 337.424 1.109 20 30 ECEDLO C[C@H]1C[C@H](O)CN1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329935095 437434104 /nfs/dbraw/zinc/43/41/04/437434104.db2.gz KDPCSRNYSAJDCZ-JSGCOSHPSA-N 1 2 347.419 0.470 20 30 ECEDLO O=C(NCc1cn2c([nH+]1)CCCC2)NC[C@@H]1CCCS1(=O)=O ZINC000330068133 437450443 /nfs/dbraw/zinc/45/04/43/437450443.db2.gz GCQRJRQVHBNXEE-LBPRGKRZSA-N 1 2 326.422 0.800 20 30 ECEDLO COC(=O)C[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290015704 437456906 /nfs/dbraw/zinc/45/69/06/437456906.db2.gz SLQNKRJGZNSDKL-ZDUSSCGKSA-N 1 2 337.401 0.754 20 30 ECEDLO COC(=O)C[C@@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290015704 437456908 /nfs/dbraw/zinc/45/69/08/437456908.db2.gz SLQNKRJGZNSDKL-ZDUSSCGKSA-N 1 2 337.401 0.754 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000330391569 437499244 /nfs/dbraw/zinc/49/92/44/437499244.db2.gz PHTRSQURAXIASP-GJZGRUSLSA-N 1 2 344.481 0.367 20 30 ECEDLO CCC(=O)N[C@@H]1CCCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000330457119 437518135 /nfs/dbraw/zinc/51/81/35/437518135.db2.gz GVEXWLUXLSWJHO-ZIAGYGMSSA-N 1 2 326.441 0.612 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC[N@@H+]1CCO ZINC000188719018 437566497 /nfs/dbraw/zinc/56/64/97/437566497.db2.gz CPFTUOUXHUCOCV-LLVKDONJSA-N 1 2 343.836 0.899 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC[N@H+]1CCO ZINC000188719018 437566503 /nfs/dbraw/zinc/56/65/03/437566503.db2.gz CPFTUOUXHUCOCV-LLVKDONJSA-N 1 2 343.836 0.899 20 30 ECEDLO C[N@H+](CCc1cnccn1)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343711365 437634844 /nfs/dbraw/zinc/63/48/44/437634844.db2.gz FYYDABKAFKDSAS-UHFFFAOYSA-N 1 2 331.401 0.691 20 30 ECEDLO C[N@@H+](CCc1cnccn1)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343711365 437634849 /nfs/dbraw/zinc/63/48/49/437634849.db2.gz FYYDABKAFKDSAS-UHFFFAOYSA-N 1 2 331.401 0.691 20 30 ECEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000191229286 437652758 /nfs/dbraw/zinc/65/27/58/437652758.db2.gz LFNSRTAKZVOBHA-FMKPAKJESA-N 1 2 332.404 0.916 20 30 ECEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000191229286 437652761 /nfs/dbraw/zinc/65/27/61/437652761.db2.gz LFNSRTAKZVOBHA-FMKPAKJESA-N 1 2 332.404 0.916 20 30 ECEDLO C[C@](C#N)(NC(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1)C1CC1 ZINC000355099838 437671925 /nfs/dbraw/zinc/67/19/25/437671925.db2.gz HKIHWXBUZLSFGJ-GOSISDBHSA-N 1 2 338.415 0.884 20 30 ECEDLO COc1ccccc1[C@@H](CNS(=O)(=O)N(C)CCC#N)[NH+](C)C ZINC000355228033 437689421 /nfs/dbraw/zinc/68/94/21/437689421.db2.gz VLYFWDBGZQHUDJ-CQSZACIVSA-N 1 2 340.449 0.978 20 30 ECEDLO COCC[N@H+]([C@H](C)C(N)=O)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192578599 437683315 /nfs/dbraw/zinc/68/33/15/437683315.db2.gz ZWTUTQRYLSUHHG-CZUORRHYSA-N 1 2 344.415 0.876 20 30 ECEDLO COCC[N@@H+]([C@H](C)C(N)=O)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192578599 437683321 /nfs/dbraw/zinc/68/33/21/437683321.db2.gz ZWTUTQRYLSUHHG-CZUORRHYSA-N 1 2 344.415 0.876 20 30 ECEDLO N#CCCOCC[NH+]1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000292659027 437708911 /nfs/dbraw/zinc/70/89/11/437708911.db2.gz AGHFEYUNFVCBON-UHFFFAOYSA-N 1 2 328.394 0.052 20 30 ECEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000362049544 437714033 /nfs/dbraw/zinc/71/40/33/437714033.db2.gz WZSJZFPPAOPDLR-LBPRGKRZSA-N 1 2 341.433 0.795 20 30 ECEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000362049544 437714035 /nfs/dbraw/zinc/71/40/35/437714035.db2.gz WZSJZFPPAOPDLR-LBPRGKRZSA-N 1 2 341.433 0.795 20 30 ECEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000331199657 437714447 /nfs/dbraw/zinc/71/44/47/437714447.db2.gz ZZMDNEXOGJAAJS-CYBMUJFWSA-N 1 2 342.465 0.343 20 30 ECEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000331199657 437714453 /nfs/dbraw/zinc/71/44/53/437714453.db2.gz ZZMDNEXOGJAAJS-CYBMUJFWSA-N 1 2 342.465 0.343 20 30 ECEDLO CNS(=O)(=O)NC1CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000356421249 437764686 /nfs/dbraw/zinc/76/46/86/437764686.db2.gz ISQNRAGDBVEBHR-UHFFFAOYSA-N 1 2 348.432 0.224 20 30 ECEDLO Cc1nc(S(=O)(=O)N2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)cn1C ZINC000292789549 437722169 /nfs/dbraw/zinc/72/21/69/437722169.db2.gz LHYOWONDFRVGTR-UONOGXRCSA-N 1 2 337.449 0.727 20 30 ECEDLO COC(=O)[C@H]1CC[C@@H](NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000331224969 437722645 /nfs/dbraw/zinc/72/26/45/437722645.db2.gz XEKRAVVSSPNQBA-YIYPIFLZSA-N 1 2 327.425 0.941 20 30 ECEDLO COC[C@@H]1CN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C[C@H](C)O1 ZINC000331257588 437727509 /nfs/dbraw/zinc/72/75/09/437727509.db2.gz DDXJZJQMIZDORD-XGUBFFRZSA-N 1 2 329.441 0.745 20 30 ECEDLO CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000331290602 437735667 /nfs/dbraw/zinc/73/56/67/437735667.db2.gz KECAMFDMDVTXPN-GFCCVEGCSA-N 1 2 348.469 0.075 20 30 ECEDLO CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000331290602 437735670 /nfs/dbraw/zinc/73/56/70/437735670.db2.gz KECAMFDMDVTXPN-GFCCVEGCSA-N 1 2 348.469 0.075 20 30 ECEDLO C=C[C@@H](C)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000362671973 437750089 /nfs/dbraw/zinc/75/00/89/437750089.db2.gz QCWJQNUPEZYTKO-CQSZACIVSA-N 1 2 331.420 0.994 20 30 ECEDLO C[C@H](NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)[C@H](C)[NH+]1CCOCC1 ZINC000362731261 437751909 /nfs/dbraw/zinc/75/19/09/437751909.db2.gz NZFBUAYROUKCRU-DZKIICNBSA-N 1 2 335.452 0.477 20 30 ECEDLO Cn1cc([C@@H]2C[C@@H]2C(=O)N(CCC#N)CC[NH+]2CCOCC2)cn1 ZINC000363376907 437784930 /nfs/dbraw/zinc/78/49/30/437784930.db2.gz SSTHKICBDGITRH-HOTGVXAUSA-N 1 2 331.420 0.598 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000345266180 437786865 /nfs/dbraw/zinc/78/68/65/437786865.db2.gz MSAUAZGUGMZEDN-KBPBESRZSA-N 1 2 330.454 0.119 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000363533179 437794327 /nfs/dbraw/zinc/79/43/27/437794327.db2.gz ASGHMLKKKZVEPN-UONOGXRCSA-N 1 2 329.466 0.589 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000363533179 437794331 /nfs/dbraw/zinc/79/43/31/437794331.db2.gz ASGHMLKKKZVEPN-UONOGXRCSA-N 1 2 329.466 0.589 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000346244312 437805969 /nfs/dbraw/zinc/80/59/69/437805969.db2.gz IVGIUJSQLRCNAR-CYBMUJFWSA-N 1 2 345.403 0.306 20 30 ECEDLO CNC(=O)C[N@@H+]1CCCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000364026099 437811275 /nfs/dbraw/zinc/81/12/75/437811275.db2.gz RXAFAIZMODOUCD-UHFFFAOYSA-N 1 2 349.479 0.425 20 30 ECEDLO CNC(=O)C[N@H+]1CCCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000364026099 437811279 /nfs/dbraw/zinc/81/12/79/437811279.db2.gz RXAFAIZMODOUCD-UHFFFAOYSA-N 1 2 349.479 0.425 20 30 ECEDLO CNC(=O)CN1CCC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000364026099 437811282 /nfs/dbraw/zinc/81/12/82/437811282.db2.gz RXAFAIZMODOUCD-UHFFFAOYSA-N 1 2 349.479 0.425 20 30 ECEDLO CNC(=O)CN1CCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000364026099 437811285 /nfs/dbraw/zinc/81/12/85/437811285.db2.gz RXAFAIZMODOUCD-UHFFFAOYSA-N 1 2 349.479 0.425 20 30 ECEDLO C=CC[C@@H](CO)NC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000346431934 437811468 /nfs/dbraw/zinc/81/14/68/437811468.db2.gz OPXGHYBQZNEBPU-QWHCGFSZSA-N 1 2 335.408 0.147 20 30 ECEDLO C[C@H](OC[C@@H]1CCCO1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000346498036 437812015 /nfs/dbraw/zinc/81/20/15/437812015.db2.gz CEYQRLNYGOPDIU-HOTGVXAUSA-N 1 2 339.436 0.645 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2ccnc(COC)n2)C1 ZINC000364358057 437814982 /nfs/dbraw/zinc/81/49/82/437814982.db2.gz IRBAVSOMVMRBBK-CYBMUJFWSA-N 1 2 347.419 0.814 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2ccnc(COC)n2)C1 ZINC000364358057 437814987 /nfs/dbraw/zinc/81/49/87/437814987.db2.gz IRBAVSOMVMRBBK-CYBMUJFWSA-N 1 2 347.419 0.814 20 30 ECEDLO C=CCNC(=O)[C@H](C)N1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000365163085 437867875 /nfs/dbraw/zinc/86/78/75/437867875.db2.gz NUHROKNZFJMOLP-XJKSGUPXSA-N 1 2 341.415 0.806 20 30 ECEDLO C=CCCC[N@@H+](C)CC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000347334059 437875287 /nfs/dbraw/zinc/87/52/87/437875287.db2.gz RFDSJXWTHDJAHC-AWEZNQCLSA-N 1 2 332.466 0.547 20 30 ECEDLO C=CCCC[N@H+](C)CC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000347334059 437875289 /nfs/dbraw/zinc/87/52/89/437875289.db2.gz RFDSJXWTHDJAHC-AWEZNQCLSA-N 1 2 332.466 0.547 20 30 ECEDLO N#C[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CC2)CCN1C1CC1 ZINC000365044406 437850561 /nfs/dbraw/zinc/85/05/61/437850561.db2.gz MEHKYMVUWZOBSD-OAHLLOKOSA-N 1 2 333.436 0.233 20 30 ECEDLO C[C@@H](C#N)S(=O)(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000416368841 437922367 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C=CCCn1cc(C(=O)NC(C)(C)c2noc(C[NH+](C)C)n2)nn1 ZINC000424636837 437980528 /nfs/dbraw/zinc/98/05/28/437980528.db2.gz ISMWJFRVFNIOBD-UHFFFAOYSA-N 1 2 333.396 0.964 20 30 ECEDLO CN(C(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1cccnc1C#N ZINC000416653975 437982252 /nfs/dbraw/zinc/98/22/52/437982252.db2.gz VKOVZXAOCMNYPK-UHFFFAOYSA-N 1 2 338.433 0.685 20 30 ECEDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000425836304 438044694 /nfs/dbraw/zinc/04/46/94/438044694.db2.gz BGYRTZNLMVKYMR-LSDHHAIUSA-N 1 2 335.452 0.874 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000425910231 438049152 /nfs/dbraw/zinc/04/91/52/438049152.db2.gz UPBWYEWOOKYIEF-IHRRRGAJSA-N 1 2 332.404 0.443 20 30 ECEDLO CNC(=O)N[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000342361713 438011808 /nfs/dbraw/zinc/01/18/08/438011808.db2.gz YUTSLOCCGMJWKF-AWEZNQCLSA-N 1 2 329.404 0.937 20 30 ECEDLO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000342361713 438011812 /nfs/dbraw/zinc/01/18/12/438011812.db2.gz YUTSLOCCGMJWKF-AWEZNQCLSA-N 1 2 329.404 0.937 20 30 ECEDLO COC(=O)C[C@H](C)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000348738436 438090816 /nfs/dbraw/zinc/09/08/16/438090816.db2.gz HOPQRAJBVWKICO-CQSZACIVSA-N 1 2 325.409 0.650 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000428861368 438095856 /nfs/dbraw/zinc/09/58/56/438095856.db2.gz PSFSKAQBGAKUHL-UHFFFAOYSA-N 1 2 348.378 0.901 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000428861368 438095861 /nfs/dbraw/zinc/09/58/61/438095861.db2.gz PSFSKAQBGAKUHL-UHFFFAOYSA-N 1 2 348.378 0.901 20 30 ECEDLO C=CCOC[C@@H]1NC(=O)N(Cc2ccc[nH+]c2N2CCOCC2)C1=O ZINC000348418817 438057937 /nfs/dbraw/zinc/05/79/37/438057937.db2.gz AXTSYILLULEYFK-AWEZNQCLSA-N 1 2 346.387 0.541 20 30 ECEDLO C=CCOC[C@@H]1NC(=O)N(Cc2ccc(N3CCOCC3)[nH+]c2)C1=O ZINC000348490151 438068894 /nfs/dbraw/zinc/06/88/94/438068894.db2.gz HFYLCWMTDPMGAI-AWEZNQCLSA-N 1 2 346.387 0.541 20 30 ECEDLO C=C(C)CNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000427055310 438076534 /nfs/dbraw/zinc/07/65/34/438076534.db2.gz ULJBRUMKPVTVGG-UHFFFAOYSA-N 1 2 345.403 0.100 20 30 ECEDLO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000418118979 438109043 /nfs/dbraw/zinc/10/90/43/438109043.db2.gz FULXWYUFBKDXHU-CQSZACIVSA-N 1 2 341.371 0.460 20 30 ECEDLO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000418118979 438109049 /nfs/dbraw/zinc/10/90/49/438109049.db2.gz FULXWYUFBKDXHU-CQSZACIVSA-N 1 2 341.371 0.460 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(NC#N)cc2)CC1 ZINC000372983621 438120714 /nfs/dbraw/zinc/12/07/14/438120714.db2.gz RUHJFKBFIOMGFX-UHFFFAOYSA-N 1 2 339.399 0.477 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(NC#N)cc2)CC1 ZINC000372983621 438120719 /nfs/dbraw/zinc/12/07/19/438120719.db2.gz RUHJFKBFIOMGFX-UHFFFAOYSA-N 1 2 339.399 0.477 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(CO)c2)CC1 ZINC000374042548 438183972 /nfs/dbraw/zinc/18/39/72/438183972.db2.gz AZMWCZCTJXEMQN-UHFFFAOYSA-N 1 2 329.400 0.076 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(CO)c2)CC1 ZINC000374042548 438183975 /nfs/dbraw/zinc/18/39/75/438183975.db2.gz AZMWCZCTJXEMQN-UHFFFAOYSA-N 1 2 329.400 0.076 20 30 ECEDLO Cc1nn(C)c(N2CC[NH+](C[C@H](C)CS(C)(=O)=O)CC2)c1C#N ZINC000349886349 438186918 /nfs/dbraw/zinc/18/69/18/438186918.db2.gz WHZUJOGVTQNTTM-LBPRGKRZSA-N 1 2 339.465 0.403 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH2+][C@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000373607784 438161819 /nfs/dbraw/zinc/16/18/19/438161819.db2.gz IHAFODLTGOPIFI-JTQLQIEISA-N 1 2 348.367 0.153 20 30 ECEDLO C=CC[C@@H](CO)NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000349589586 438163354 /nfs/dbraw/zinc/16/33/54/438163354.db2.gz RDSJLCPFCCQFDA-ZDUSSCGKSA-N 1 2 340.445 0.689 20 30 ECEDLO C=CC[N@@H+](C[C@@H](O)COCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000432836383 438213708 /nfs/dbraw/zinc/21/37/08/438213708.db2.gz UBBKSTDRDZIARG-GHMZBOCLSA-N 1 2 331.356 0.601 20 30 ECEDLO C=CC[N@H+](C[C@@H](O)COCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000432836383 438213711 /nfs/dbraw/zinc/21/37/11/438213711.db2.gz UBBKSTDRDZIARG-GHMZBOCLSA-N 1 2 331.356 0.601 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000350661506 438227305 /nfs/dbraw/zinc/22/73/05/438227305.db2.gz QRMLVSLWYWKZMN-LSDHHAIUSA-N 1 2 336.480 0.742 20 30 ECEDLO C=CCNC(=O)[C@H](C)N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000350661506 438227308 /nfs/dbraw/zinc/22/73/08/438227308.db2.gz QRMLVSLWYWKZMN-LSDHHAIUSA-N 1 2 336.480 0.742 20 30 ECEDLO C#CCCCS(=O)(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000376357152 438279815 /nfs/dbraw/zinc/27/98/15/438279815.db2.gz DEZTVYACXFNHKC-MRXNPFEDSA-N 1 2 327.494 0.832 20 30 ECEDLO Cc1cc(C#N)nc(NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)n1 ZINC000367799749 438251099 /nfs/dbraw/zinc/25/10/99/438251099.db2.gz BZUNWWIHOLUDHW-ZFWWWQNUSA-N 1 2 329.383 1.415 20 30 ECEDLO Cc1cc(C#N)nc(NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)n1 ZINC000367799749 438251104 /nfs/dbraw/zinc/25/11/04/438251104.db2.gz BZUNWWIHOLUDHW-ZFWWWQNUSA-N 1 2 329.383 1.415 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)cn1 ZINC000377978520 438335293 /nfs/dbraw/zinc/33/52/93/438335293.db2.gz PWGYHBVSSIFZMP-OAHLLOKOSA-N 1 2 327.388 0.380 20 30 ECEDLO CC[N@H+](Cc1nnc(C)o1)[C@H]1CN(C(=O)CC(C)(C)C#N)C[C@H]1O ZINC000377302788 438307171 /nfs/dbraw/zinc/30/71/71/438307171.db2.gz GYHQIDZBZZVLJG-QWHCGFSZSA-N 1 2 335.408 0.712 20 30 ECEDLO CC[N@@H+](Cc1nnc(C)o1)[C@H]1CN(C(=O)CC(C)(C)C#N)C[C@H]1O ZINC000377302788 438307176 /nfs/dbraw/zinc/30/71/76/438307176.db2.gz GYHQIDZBZZVLJG-QWHCGFSZSA-N 1 2 335.408 0.712 20 30 ECEDLO C=CCN1CC[C@@H](N(C)C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)C1=O ZINC000377392861 438308581 /nfs/dbraw/zinc/30/85/81/438308581.db2.gz NWBOKUGLSPUZCP-HUUCEWRRSA-N 1 2 336.436 0.278 20 30 ECEDLO C=CCN1CC[C@@H](N(C)C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C1=O ZINC000377392861 438308587 /nfs/dbraw/zinc/30/85/87/438308587.db2.gz NWBOKUGLSPUZCP-HUUCEWRRSA-N 1 2 336.436 0.278 20 30 ECEDLO C=CCN1CC[C@H](N(C)C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)C1=O ZINC000377392860 438309033 /nfs/dbraw/zinc/30/90/33/438309033.db2.gz NWBOKUGLSPUZCP-GJZGRUSLSA-N 1 2 336.436 0.278 20 30 ECEDLO C=CCN1CC[C@H](N(C)C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)C1=O ZINC000377392860 438309035 /nfs/dbraw/zinc/30/90/35/438309035.db2.gz NWBOKUGLSPUZCP-GJZGRUSLSA-N 1 2 336.436 0.278 20 30 ECEDLO C=CCOC[C@@H](NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1)C(=O)OC ZINC000435948929 438393932 /nfs/dbraw/zinc/39/39/32/438393932.db2.gz JYJADCNMESRNOU-HUUCEWRRSA-N 1 2 340.420 0.348 20 30 ECEDLO C=CCOC[C@@H](NC(=O)[C@H]1COCC[N@H+]1CC1CCC1)C(=O)OC ZINC000435948929 438393937 /nfs/dbraw/zinc/39/39/37/438393937.db2.gz JYJADCNMESRNOU-HUUCEWRRSA-N 1 2 340.420 0.348 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCN(c2ccc(=O)[nH]n2)CC1 ZINC000369138851 438427568 /nfs/dbraw/zinc/42/75/68/438427568.db2.gz XBIUHSHEEVCPES-MRXNPFEDSA-N 1 2 332.408 0.359 20 30 ECEDLO C=CCC(C)(C)CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000352546538 438438268 /nfs/dbraw/zinc/43/82/68/438438268.db2.gz WQSQPRIKXVYKMG-OAHLLOKOSA-N 1 2 337.464 0.886 20 30 ECEDLO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1COC[C@H]1O ZINC000352795171 438477500 /nfs/dbraw/zinc/47/75/00/438477500.db2.gz CMHZWWXTPMDFFB-LSDHHAIUSA-N 1 2 341.371 0.374 20 30 ECEDLO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1COC[C@H]1O ZINC000352795171 438477504 /nfs/dbraw/zinc/47/75/04/438477504.db2.gz CMHZWWXTPMDFFB-LSDHHAIUSA-N 1 2 341.371 0.374 20 30 ECEDLO C[C@@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)CC2(CCOCC2)O1 ZINC000369281424 438448772 /nfs/dbraw/zinc/44/87/72/438448772.db2.gz CIMYGIYBEVIQEL-OAHLLOKOSA-N 1 2 334.420 0.912 20 30 ECEDLO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)CC2(CCOCC2)O1 ZINC000369281424 438448775 /nfs/dbraw/zinc/44/87/75/438448775.db2.gz CIMYGIYBEVIQEL-OAHLLOKOSA-N 1 2 334.420 0.912 20 30 ECEDLO C[C@@H]1OCC[C@]12C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H](C)O2 ZINC000369297278 438450576 /nfs/dbraw/zinc/45/05/76/438450576.db2.gz DDRPOBMHODBGFK-VYDXJSESSA-N 1 2 334.420 0.911 20 30 ECEDLO C[C@@H]1OCC[C@]12C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H](C)O2 ZINC000369297278 438450580 /nfs/dbraw/zinc/45/05/80/438450580.db2.gz DDRPOBMHODBGFK-VYDXJSESSA-N 1 2 334.420 0.911 20 30 ECEDLO CC(C)(CC#N)CNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422476746 438576437 /nfs/dbraw/zinc/57/64/37/438576437.db2.gz ABRIQVPOARKOAM-UHFFFAOYSA-N 1 2 329.404 0.786 20 30 ECEDLO C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000410482244 438589525 /nfs/dbraw/zinc/58/95/25/438589525.db2.gz IANUPBNAGKCSEP-GJZGRUSLSA-N 1 2 336.436 0.318 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[NH+](CCn3cncn3)CC2)cc1O ZINC000442645405 438614780 /nfs/dbraw/zinc/61/47/80/438614780.db2.gz GCMYXNZJXQDEDX-UHFFFAOYSA-N 1 2 326.360 0.313 20 30 ECEDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)N(CCC#N)CCOC ZINC000451926595 438615433 /nfs/dbraw/zinc/61/54/33/438615433.db2.gz IPBACFSPCCYPIW-LBPRGKRZSA-N 1 2 329.426 0.660 20 30 ECEDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)N(CCC#N)CCOC ZINC000451926553 438616076 /nfs/dbraw/zinc/61/60/76/438616076.db2.gz IPBACFSPCCYPIW-GFCCVEGCSA-N 1 2 329.426 0.660 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCC2CCC(C#N)CC2)CC1 ZINC000442717285 438619341 /nfs/dbraw/zinc/61/93/41/438619341.db2.gz DUBWGJUHXKPVNH-UHFFFAOYSA-N 1 2 335.452 0.907 20 30 ECEDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)nc1 ZINC000452062686 438631805 /nfs/dbraw/zinc/63/18/05/438631805.db2.gz ZAGBQHITMNQJFV-AWEZNQCLSA-N 1 2 331.420 0.973 20 30 ECEDLO Cc1ccc(C(=O)NCc2c[nH+]c[nH]2)cc1S(=O)(=O)NCC#N ZINC000443541737 438655019 /nfs/dbraw/zinc/65/50/19/438655019.db2.gz UPYRPLTWLGWHQX-UHFFFAOYSA-N 1 2 333.373 0.450 20 30 ECEDLO Cc1ccc(C(=O)NCc2c[nH]c[nH+]2)cc1S(=O)(=O)NCC#N ZINC000443541737 438655020 /nfs/dbraw/zinc/65/50/20/438655020.db2.gz UPYRPLTWLGWHQX-UHFFFAOYSA-N 1 2 333.373 0.450 20 30 ECEDLO C[C@H](CCC#N)[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000411168370 438672175 /nfs/dbraw/zinc/67/21/75/438672175.db2.gz NTWMKJIQSODQGW-RBSFLKMASA-N 1 2 344.481 0.650 20 30 ECEDLO CN(C[C@H](O)C[N@H+](C)CCC#N)S(=O)(=O)Cc1ccccc1 ZINC000414171190 438699356 /nfs/dbraw/zinc/69/93/56/438699356.db2.gz WYVNJHWRAWWLDC-OAHLLOKOSA-N 1 2 325.434 0.655 20 30 ECEDLO CN(C[C@H](O)C[N@@H+](C)CCC#N)S(=O)(=O)Cc1ccccc1 ZINC000414171190 438699358 /nfs/dbraw/zinc/69/93/58/438699358.db2.gz WYVNJHWRAWWLDC-OAHLLOKOSA-N 1 2 325.434 0.655 20 30 ECEDLO C[C@@H](C#N)S(=O)(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000496995338 438754669 /nfs/dbraw/zinc/75/46/69/438754669.db2.gz IOVAAPJBCXPDEO-RYUDHWBXSA-N 1 2 346.453 0.369 20 30 ECEDLO C[C@@H](C#N)S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000496995338 438754672 /nfs/dbraw/zinc/75/46/72/438754672.db2.gz IOVAAPJBCXPDEO-RYUDHWBXSA-N 1 2 346.453 0.369 20 30 ECEDLO CC(C)(CC#N)CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000457994214 438845917 /nfs/dbraw/zinc/84/59/17/438845917.db2.gz XNVWPMOPVXPZEP-AWEZNQCLSA-N 1 2 336.436 0.223 20 30 ECEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCN2CCNC2=O)CC1 ZINC000588962215 438851384 /nfs/dbraw/zinc/85/13/84/438851384.db2.gz LCKWCWHQYFRVLT-UHFFFAOYSA-N 1 2 330.392 0.571 20 30 ECEDLO CN(CCC#N)S(=O)(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000601452150 438900681 /nfs/dbraw/zinc/90/06/81/438900681.db2.gz FYMWUCUAXNYCQB-QWHCGFSZSA-N 1 2 330.454 0.166 20 30 ECEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)[C@H](CO)C1 ZINC000601469797 438907049 /nfs/dbraw/zinc/90/70/49/438907049.db2.gz UYCCEUHOYSZHPO-AWEZNQCLSA-N 1 2 337.445 0.785 20 30 ECEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)[C@H](CO)C1 ZINC000601469797 438907055 /nfs/dbraw/zinc/90/70/55/438907055.db2.gz UYCCEUHOYSZHPO-AWEZNQCLSA-N 1 2 337.445 0.785 20 30 ECEDLO CC#CCN(C)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000458111413 438856793 /nfs/dbraw/zinc/85/67/93/438856793.db2.gz TWBLSARDBDCDCQ-UHFFFAOYSA-N 1 2 343.431 0.785 20 30 ECEDLO Cc1nn(C)c(N2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)c1C#N ZINC000577862932 438878097 /nfs/dbraw/zinc/87/80/97/438878097.db2.gz NGPQKXKYFJWJJY-LBPRGKRZSA-N 1 2 341.419 0.851 20 30 ECEDLO Cc1nn(C)c(N2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)c1C#N ZINC000577862932 438878100 /nfs/dbraw/zinc/87/81/00/438878100.db2.gz NGPQKXKYFJWJJY-LBPRGKRZSA-N 1 2 341.419 0.851 20 30 ECEDLO CCOc1ccc(N2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)nn1 ZINC000595890498 438879497 /nfs/dbraw/zinc/87/94/97/438879497.db2.gz HPWCOIURLDSKRX-AWEZNQCLSA-N 1 2 346.435 0.758 20 30 ECEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CC2(C#N)CCOCC2)CC1 ZINC000596692921 438989207 /nfs/dbraw/zinc/98/92/07/438989207.db2.gz BWNYLDSRADQIGM-CQSZACIVSA-N 1 2 348.447 0.508 20 30 ECEDLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1)n1cnc(C#N)n1 ZINC000601728971 438960578 /nfs/dbraw/zinc/96/05/78/438960578.db2.gz ONCYPLUISBYMMW-CYBMUJFWSA-N 1 2 340.387 0.761 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC000597021467 439029516 /nfs/dbraw/zinc/02/95/16/439029516.db2.gz MKIREYGYKNJDDV-ZDUSSCGKSA-N 1 2 332.408 0.299 20 30 ECEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc([N+](=O)[O-])cc1-n1cnnn1 ZINC000566318774 439041858 /nfs/dbraw/zinc/04/18/58/439041858.db2.gz VTPIRBKPQQYEOK-LBPRGKRZSA-N 1 2 347.335 0.156 20 30 ECEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc([N+](=O)[O-])cc1-n1cnnn1 ZINC000566318774 439041863 /nfs/dbraw/zinc/04/18/63/439041863.db2.gz VTPIRBKPQQYEOK-LBPRGKRZSA-N 1 2 347.335 0.156 20 30 ECEDLO C=CCn1cc(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)nn1 ZINC000567743231 439173042 /nfs/dbraw/zinc/17/30/42/439173042.db2.gz CQELRULQNXBCMQ-HNNXBMFYSA-N 1 2 334.424 0.470 20 30 ECEDLO C[C@H](NS(=O)(=O)Cc1ccc(CC#N)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000592037638 439138778 /nfs/dbraw/zinc/13/87/78/439138778.db2.gz UTGDARAIYGBVTL-XJKSGUPXSA-N 1 2 337.445 0.891 20 30 ECEDLO C[C@H](NS(=O)(=O)Cc1ccc(CC#N)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000592037638 439138782 /nfs/dbraw/zinc/13/87/82/439138782.db2.gz UTGDARAIYGBVTL-XJKSGUPXSA-N 1 2 337.445 0.891 20 30 ECEDLO C[N@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)CC(C)(C)C#N ZINC000602831587 439142421 /nfs/dbraw/zinc/14/24/21/439142421.db2.gz JNEJXCRMHNDHQQ-UHFFFAOYSA-N 1 2 330.454 0.008 20 30 ECEDLO C[N@@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)CC(C)(C)C#N ZINC000602831587 439142426 /nfs/dbraw/zinc/14/24/26/439142426.db2.gz JNEJXCRMHNDHQQ-UHFFFAOYSA-N 1 2 330.454 0.008 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000592057223 439142739 /nfs/dbraw/zinc/14/27/39/439142739.db2.gz PEGQHWPIFXHTET-CQSZACIVSA-N 1 2 337.445 0.581 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000592057223 439142745 /nfs/dbraw/zinc/14/27/45/439142745.db2.gz PEGQHWPIFXHTET-CQSZACIVSA-N 1 2 337.445 0.581 20 30 ECEDLO CC[C@H](C)[C@H](NC(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1)C(=O)OC ZINC000602856717 439145576 /nfs/dbraw/zinc/14/55/76/439145576.db2.gz MMFYXUUPYLPSME-YXWQFLTLSA-N 1 2 338.452 0.608 20 30 ECEDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000592209398 439185321 /nfs/dbraw/zinc/18/53/21/439185321.db2.gz RTCFGTODYRBVPX-UONOGXRCSA-N 1 2 337.420 0.527 20 30 ECEDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000592209398 439185325 /nfs/dbraw/zinc/18/53/25/439185325.db2.gz RTCFGTODYRBVPX-UONOGXRCSA-N 1 2 337.420 0.527 20 30 ECEDLO C#CC[NH+]1CCN(Cn2nc(C)n(CC(=O)N(C)C)c2=S)CC1 ZINC000490589913 439274412 /nfs/dbraw/zinc/27/44/12/439274412.db2.gz IGEYPRWDBLWDKB-UHFFFAOYSA-N 1 2 336.465 0.019 20 30 ECEDLO C#CCN(C(=O)Cc1cn2ccccc2[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC000490615001 439277339 /nfs/dbraw/zinc/27/73/39/439277339.db2.gz CUNRWFKXPLZZDN-AWEZNQCLSA-N 1 2 331.397 0.526 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2c(C)onc2CC)CC1 ZINC000490616308 439280144 /nfs/dbraw/zinc/28/01/44/439280144.db2.gz JZPLLAJWCPHHSQ-UHFFFAOYSA-N 1 2 332.404 0.443 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c(C)onc2CC)CC1 ZINC000490616308 439280147 /nfs/dbraw/zinc/28/01/47/439280147.db2.gz JZPLLAJWCPHHSQ-UHFFFAOYSA-N 1 2 332.404 0.443 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c[nH]c3ncccc23)CC1 ZINC000490650991 439282719 /nfs/dbraw/zinc/28/27/19/439282719.db2.gz PKQPZVLXTYGHOD-UHFFFAOYSA-N 1 2 339.399 0.460 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2c[nH]c3ncccc23)CC1 ZINC000490650991 439282723 /nfs/dbraw/zinc/28/27/23/439282723.db2.gz PKQPZVLXTYGHOD-UHFFFAOYSA-N 1 2 339.399 0.460 20 30 ECEDLO COc1cccc(-n2cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nn2)c1 ZINC000568518900 439255993 /nfs/dbraw/zinc/25/59/93/439255993.db2.gz RUHXHJFQZFQMDW-MRXNPFEDSA-N 1 2 328.376 0.850 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(COCC)n2C2CC2)CC1 ZINC000581889984 439261974 /nfs/dbraw/zinc/26/19/74/439261974.db2.gz VNAKXSVUPYGPLW-UHFFFAOYSA-N 1 2 348.451 0.574 20 30 ECEDLO Cc1c(C#N)c(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)nn1C ZINC000592648175 439263620 /nfs/dbraw/zinc/26/36/20/439263620.db2.gz ZZASKRYBJXRJDE-INIZCTEOSA-N 1 2 339.399 1.440 20 30 ECEDLO Cc1c(C#N)c(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nn1C ZINC000592648175 439263625 /nfs/dbraw/zinc/26/36/25/439263625.db2.gz ZZASKRYBJXRJDE-INIZCTEOSA-N 1 2 339.399 1.440 20 30 ECEDLO Cc1noc(C)c1C[NH+]1CCN(CC(=O)NC2(C#N)CCC2)CC1 ZINC000527384847 439269060 /nfs/dbraw/zinc/26/90/60/439269060.db2.gz JWRNFTOOAKYCPE-UHFFFAOYSA-N 1 2 331.420 0.972 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2ccnc2[C@H](O)c2ccccc2)CC1 ZINC000491039432 439324026 /nfs/dbraw/zinc/32/40/26/439324026.db2.gz OVJUSFLZKPICDA-GOSISDBHSA-N 1 2 338.411 0.742 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2ncnn2-c2ccccc2)CC1 ZINC000491046853 439326675 /nfs/dbraw/zinc/32/66/75/439326675.db2.gz RMZLHECQQSOVHK-UHFFFAOYSA-N 1 2 338.415 0.134 20 30 ECEDLO CCNC(=O)CN1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528337743 439328801 /nfs/dbraw/zinc/32/88/01/439328801.db2.gz KGMAMGCORCANFV-INIZCTEOSA-N 1 2 346.431 0.052 20 30 ECEDLO C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000491092169 439330832 /nfs/dbraw/zinc/33/08/32/439330832.db2.gz BNIXEYRFDPHNNH-LLVKDONJSA-N 1 2 332.385 0.812 20 30 ECEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCc4cnc(N)nc4C3)C2=O)cc1 ZINC000598950301 439333138 /nfs/dbraw/zinc/33/31/38/439333138.db2.gz PYCQESMWMAFCLE-INIZCTEOSA-N 1 2 334.383 1.094 20 30 ECEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCc4cnc(N)nc4C3)C2=O)cc1 ZINC000598950301 439333141 /nfs/dbraw/zinc/33/31/41/439333141.db2.gz PYCQESMWMAFCLE-INIZCTEOSA-N 1 2 334.383 1.094 20 30 ECEDLO C#CCN(CC#CC)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000490712210 439289177 /nfs/dbraw/zinc/28/91/77/439289177.db2.gz DEHKNVWVGCBAHV-QGZVFWFLSA-N 1 2 335.473 0.862 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(-n3cncn3)cc2)CC1 ZINC000490761594 439296638 /nfs/dbraw/zinc/29/66/38/439296638.db2.gz VGULNIVRNKSMRF-UHFFFAOYSA-N 1 2 325.372 0.424 20 30 ECEDLO C#CCN(C(=O)C[N@@H+](C)[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 ZINC000490891427 439306615 /nfs/dbraw/zinc/30/66/15/439306615.db2.gz FTDBAXFLGIEQPM-CHWSQXEVSA-N 1 2 330.475 0.073 20 30 ECEDLO C#CCN(C(=O)C[N@H+](C)[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 ZINC000490891427 439306620 /nfs/dbraw/zinc/30/66/20/439306620.db2.gz FTDBAXFLGIEQPM-CHWSQXEVSA-N 1 2 330.475 0.073 20 30 ECEDLO C#CCN(C(=O)NCc1cn2ccccc2[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000490916590 439310927 /nfs/dbraw/zinc/31/09/27/439310927.db2.gz TTXJFXHWGULZOP-CQSZACIVSA-N 1 2 346.412 0.666 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000491164802 439342809 /nfs/dbraw/zinc/34/28/09/439342809.db2.gz FTJTYGFUNQKJNX-ZACQAIPSSA-N 1 2 348.491 0.437 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000491164800 439343579 /nfs/dbraw/zinc/34/35/79/439343579.db2.gz FTJTYGFUNQKJNX-BRWVUGGUSA-N 1 2 348.491 0.437 20 30 ECEDLO C#CCNC(=O)C1CCN(C(=O)NCc2ccc(N(C)C)[nH+]c2)CC1 ZINC000491202080 439348716 /nfs/dbraw/zinc/34/87/16/439348716.db2.gz LPGSUDAOVXIHRD-UHFFFAOYSA-N 1 2 343.431 0.819 20 30 ECEDLO N#CC1(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCCC1 ZINC000593162793 439349209 /nfs/dbraw/zinc/34/92/09/439349209.db2.gz QWXVCHWOPRUWMB-UHFFFAOYSA-N 1 2 346.435 1.421 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1nccc(C#N)c1[N+](=O)[O-] ZINC000599131822 439368024 /nfs/dbraw/zinc/36/80/24/439368024.db2.gz UXHRJUZKYUJRIC-MRXNPFEDSA-N 1 2 347.375 0.889 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1nccc(C#N)c1[N+](=O)[O-] ZINC000599131822 439368028 /nfs/dbraw/zinc/36/80/28/439368028.db2.gz UXHRJUZKYUJRIC-MRXNPFEDSA-N 1 2 347.375 0.889 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc3c2CCNC3=O)CC1 ZINC000491388036 439375589 /nfs/dbraw/zinc/37/55/89/439375589.db2.gz ZTKQWSYZQFSIDN-UHFFFAOYSA-N 1 2 326.400 0.162 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)CCC2CCC2)CC1 ZINC000491568522 439407761 /nfs/dbraw/zinc/40/77/61/439407761.db2.gz QVXALNKJUKKLHT-UHFFFAOYSA-N 1 2 341.477 0.264 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)CC1 ZINC000491473181 439389639 /nfs/dbraw/zinc/38/96/39/439389639.db2.gz BKYCOEAKNFOLAX-OAHLLOKOSA-N 1 2 335.839 0.561 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)CC1 ZINC000491473181 439389648 /nfs/dbraw/zinc/38/96/48/439389648.db2.gz BKYCOEAKNFOLAX-OAHLLOKOSA-N 1 2 335.839 0.561 20 30 ECEDLO COCCOCC[NH+]1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1 ZINC000593516252 439391926 /nfs/dbraw/zinc/39/19/26/439391926.db2.gz CHZMHPCWZSXXRS-UHFFFAOYSA-N 1 2 335.364 0.646 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)CCC2CCC2)CC1 ZINC000491568522 439407757 /nfs/dbraw/zinc/40/77/57/439407757.db2.gz QVXALNKJUKKLHT-UHFFFAOYSA-N 1 2 341.477 0.264 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNC(C)(C)c2nocc2C(=O)OC)CC1 ZINC000491624309 439414353 /nfs/dbraw/zinc/41/43/53/439414353.db2.gz HFBJFXJMUOCYAD-UHFFFAOYSA-N 1 2 348.403 0.063 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CC(=O)N(C)[C@H](C)CC(C)C)CC1 ZINC000491635188 439417120 /nfs/dbraw/zinc/41/71/20/439417120.db2.gz RXZBUXBDIQAQHD-MRXNPFEDSA-N 1 2 336.480 0.246 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CC(=O)N(C)[C@@H](C)CC(C)C)CC1 ZINC000491635173 439417178 /nfs/dbraw/zinc/41/71/78/439417178.db2.gz RXZBUXBDIQAQHD-INIZCTEOSA-N 1 2 336.480 0.246 20 30 ECEDLO N#Cc1cc(F)ccc1S(=O)(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593651599 439435111 /nfs/dbraw/zinc/43/51/11/439435111.db2.gz LZFFJFXOLKYJHA-CYBMUJFWSA-N 1 2 325.365 0.137 20 30 ECEDLO N#Cc1cc(F)ccc1S(=O)(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593651599 439435116 /nfs/dbraw/zinc/43/51/16/439435116.db2.gz LZFFJFXOLKYJHA-CYBMUJFWSA-N 1 2 325.365 0.137 20 30 ECEDLO C[C@@H](NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1)C(=O)N(C)C ZINC000599679003 439536624 /nfs/dbraw/zinc/53/66/24/439536624.db2.gz NRDXRHPZAKDINL-CYBMUJFWSA-N 1 2 328.416 0.704 20 30 ECEDLO C[C@@H](NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1)C(=O)N(C)C ZINC000599679003 439536628 /nfs/dbraw/zinc/53/66/28/439536628.db2.gz NRDXRHPZAKDINL-CYBMUJFWSA-N 1 2 328.416 0.704 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nc(N)c3ccccc3n2)CC1 ZINC000535719927 439536626 /nfs/dbraw/zinc/53/66/26/439536626.db2.gz DYFYYYIIRJCHMU-UHFFFAOYSA-N 1 2 326.404 0.636 20 30 ECEDLO CC[C@@H](C(=O)N1CCN(C(=O)CC#N)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000572176487 439562857 /nfs/dbraw/zinc/56/28/57/439562857.db2.gz BQNCHXHIBNPWPJ-CABCVRRESA-N 1 2 336.436 0.460 20 30 ECEDLO CC[C@@H](C(=O)N1CCN(C(=O)CC#N)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000572176487 439562863 /nfs/dbraw/zinc/56/28/63/439562863.db2.gz BQNCHXHIBNPWPJ-CABCVRRESA-N 1 2 336.436 0.460 20 30 ECEDLO Cc1cc(NC[C@H]2CCCCN2S(=O)(=O)N(C)C)c(C#N)c[nH+]1 ZINC000571635898 439517472 /nfs/dbraw/zinc/51/74/72/439517472.db2.gz ZSVAAAXEENQDKL-CQSZACIVSA-N 1 2 337.449 0.756 20 30 ECEDLO C[C@@H](CNS(=O)(=O)c1cccnc1C#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594472137 439566822 /nfs/dbraw/zinc/56/68/22/439566822.db2.gz XQDPUECLWDTIEC-RWMBFGLXSA-N 1 2 338.433 0.729 20 30 ECEDLO N#CCNC(=O)CN1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000609564271 439576496 /nfs/dbraw/zinc/57/64/96/439576496.db2.gz DQSMRPPXCBVPAG-OAHLLOKOSA-N 1 2 336.823 0.631 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1c[nH+]cn1C ZINC000572386690 439577887 /nfs/dbraw/zinc/57/78/87/439577887.db2.gz RKLDOJGDFPMCGP-GFCCVEGCSA-N 1 2 325.376 0.362 20 30 ECEDLO N#Cc1ccc(OC[C@H](O)C[NH2+]Cc2nc(C(N)=O)cs2)cc1 ZINC000594733058 439596772 /nfs/dbraw/zinc/59/67/72/439596772.db2.gz QEHSSCAZBCDTIT-LLVKDONJSA-N 1 2 332.385 0.643 20 30 ECEDLO CCN1C(=O)CO[C@H](C(=O)N[C@@H]2CC[C@H](C#N)C2)[C@H]1c1[nH+]ccn1C ZINC000600036189 439601621 /nfs/dbraw/zinc/60/16/21/439601621.db2.gz VOWAAAZKSCKZBZ-NEBZKDRISA-N 1 2 345.403 0.517 20 30 ECEDLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(c2cccnc2C#N)CC1 ZINC000572808397 439610129 /nfs/dbraw/zinc/61/01/29/439610129.db2.gz GMCSFCMYPUTOCT-AWEZNQCLSA-N 1 2 329.404 0.323 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000594815775 439618551 /nfs/dbraw/zinc/61/85/51/439618551.db2.gz BTBMKXFTZXITQR-MCIONIFRSA-N 1 2 332.470 0.412 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000594815775 439618555 /nfs/dbraw/zinc/61/85/55/439618555.db2.gz BTBMKXFTZXITQR-MCIONIFRSA-N 1 2 332.470 0.412 20 30 ECEDLO CCN1C(=O)[C@@H]2C[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CCN2C1=O ZINC000610605684 439631689 /nfs/dbraw/zinc/63/16/89/439631689.db2.gz TWINEOQXRMYREO-GDZNZVCISA-N 1 2 349.435 0.398 20 30 ECEDLO CCN1C(=O)[C@@H]2C[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CCN2C1=O ZINC000610605684 439631692 /nfs/dbraw/zinc/63/16/92/439631692.db2.gz TWINEOQXRMYREO-GDZNZVCISA-N 1 2 349.435 0.398 20 30 ECEDLO N#Cc1ncn(CC(=O)N2CCC[N@H+](Cc3cscn3)CC2)n1 ZINC000610883590 439652826 /nfs/dbraw/zinc/65/28/26/439652826.db2.gz SOLREFNBVYTZEG-UHFFFAOYSA-N 1 2 331.405 0.341 20 30 ECEDLO N#Cc1ncn(CC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)n1 ZINC000610883590 439652829 /nfs/dbraw/zinc/65/28/29/439652829.db2.gz SOLREFNBVYTZEG-UHFFFAOYSA-N 1 2 331.405 0.341 20 30 ECEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1C#N ZINC000610914036 439657943 /nfs/dbraw/zinc/65/79/43/439657943.db2.gz YTDDQEJYCAVENL-CABZTGNLSA-N 1 2 336.417 0.830 20 30 ECEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1C#N ZINC000610914036 439657944 /nfs/dbraw/zinc/65/79/44/439657944.db2.gz YTDDQEJYCAVENL-CABZTGNLSA-N 1 2 336.417 0.830 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)[C@H](C)CO1 ZINC000595126797 439658803 /nfs/dbraw/zinc/65/88/03/439658803.db2.gz VFISRPHFLQYUGA-VXGBXAGGSA-N 1 2 348.378 0.861 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)[C@H](C)CO1 ZINC000595126797 439658807 /nfs/dbraw/zinc/65/88/07/439658807.db2.gz VFISRPHFLQYUGA-VXGBXAGGSA-N 1 2 348.378 0.861 20 30 ECEDLO C[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000595126240 439659002 /nfs/dbraw/zinc/65/90/02/439659002.db2.gz NETRVXMDEGFOBN-STQMWFEESA-N 1 2 330.388 0.722 20 30 ECEDLO C[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000595126240 439659007 /nfs/dbraw/zinc/65/90/07/439659007.db2.gz NETRVXMDEGFOBN-STQMWFEESA-N 1 2 330.388 0.722 20 30 ECEDLO N#Cc1cccc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000595152946 439663572 /nfs/dbraw/zinc/66/35/72/439663572.db2.gz MQUMZSXQWFXGCR-OAHLLOKOSA-N 1 2 328.372 0.430 20 30 ECEDLO CNC(=O)N1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000610989169 439665307 /nfs/dbraw/zinc/66/53/07/439665307.db2.gz QQRPJHRIPLKDRN-OAHLLOKOSA-N 1 2 332.404 0.449 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cc(O)cc(C#N)c1 ZINC000600231230 439626280 /nfs/dbraw/zinc/62/62/80/439626280.db2.gz HPZTYDQBSDZNNY-GOSISDBHSA-N 1 2 345.399 0.609 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cc(O)cc(C#N)c1 ZINC000600231230 439626283 /nfs/dbraw/zinc/62/62/83/439626283.db2.gz HPZTYDQBSDZNNY-GOSISDBHSA-N 1 2 345.399 0.609 20 30 ECEDLO C[C@@H]1CN(CC[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)C[C@H](C)O1 ZINC000595338463 439705968 /nfs/dbraw/zinc/70/59/68/439705968.db2.gz ILPDXHJCGHBTEG-HRCADAONSA-N 1 2 344.463 0.968 20 30 ECEDLO C[C@@H]1CN(CC[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)C[C@H](C)O1 ZINC000595338463 439705972 /nfs/dbraw/zinc/70/59/72/439705972.db2.gz ILPDXHJCGHBTEG-HRCADAONSA-N 1 2 344.463 0.968 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000595355757 439712513 /nfs/dbraw/zinc/71/25/13/439712513.db2.gz QTMMNDACABBORT-AWEZNQCLSA-N 1 2 344.481 0.509 20 30 ECEDLO COCCN1C(=O)C[C@H]([N@@H+]2CCc3c(CC#N)cccc3C2)C1=O ZINC000600887784 439712689 /nfs/dbraw/zinc/71/26/89/439712689.db2.gz UAASVTDUYXLSQG-INIZCTEOSA-N 1 2 327.384 0.885 20 30 ECEDLO COCCN1C(=O)C[C@H]([N@H+]2CCc3c(CC#N)cccc3C2)C1=O ZINC000600887784 439712694 /nfs/dbraw/zinc/71/26/94/439712694.db2.gz UAASVTDUYXLSQG-INIZCTEOSA-N 1 2 327.384 0.885 20 30 ECEDLO COCCN1C(=O)C[C@@H]([N@@H+]2CCc3c(CC#N)cccc3C2)C1=O ZINC000600887785 439712807 /nfs/dbraw/zinc/71/28/07/439712807.db2.gz UAASVTDUYXLSQG-MRXNPFEDSA-N 1 2 327.384 0.885 20 30 ECEDLO COCCN1C(=O)C[C@@H]([N@H+]2CCc3c(CC#N)cccc3C2)C1=O ZINC000600887785 439712809 /nfs/dbraw/zinc/71/28/09/439712809.db2.gz UAASVTDUYXLSQG-MRXNPFEDSA-N 1 2 327.384 0.885 20 30 ECEDLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)CCC(C)(C)C#N)[C@@H](C)C1 ZINC000573884387 439672977 /nfs/dbraw/zinc/67/29/77/439672977.db2.gz GLIZGNKYKTURPB-ZDUSSCGKSA-N 1 2 345.465 0.825 20 30 ECEDLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)CCC(C)(C)C#N)[C@@H](C)C1 ZINC000573884387 439672980 /nfs/dbraw/zinc/67/29/80/439672980.db2.gz GLIZGNKYKTURPB-ZDUSSCGKSA-N 1 2 345.465 0.825 20 30 ECEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000614854141 439788928 /nfs/dbraw/zinc/78/89/28/439788928.db2.gz SSYUFVYBNFMHFE-UHFFFAOYSA-N 1 2 337.445 0.944 20 30 ECEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000614854141 439788929 /nfs/dbraw/zinc/78/89/29/439788929.db2.gz SSYUFVYBNFMHFE-UHFFFAOYSA-N 1 2 337.445 0.944 20 30 ECEDLO N#C[C@@]1(F)CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000615538568 439802181 /nfs/dbraw/zinc/80/21/81/439802181.db2.gz PRKUOLHATQGREJ-LSDHHAIUSA-N 1 2 342.440 0.841 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)nn1 ZINC000648350966 440283118 /nfs/dbraw/zinc/28/31/18/440283118.db2.gz ARDPOZBKJQABHY-LBPRGKRZSA-N 1 2 343.391 0.119 20 30 ECEDLO C=C(C)[C@@H](CO)[N@@H+]1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000649233680 440420692 /nfs/dbraw/zinc/42/06/92/440420692.db2.gz RFKKWLVQAFVLOY-CQSZACIVSA-N 1 2 343.449 0.925 20 30 ECEDLO C=C(C)[C@@H](CO)[N@H+]1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000649233680 440420700 /nfs/dbraw/zinc/42/07/00/440420700.db2.gz RFKKWLVQAFVLOY-CQSZACIVSA-N 1 2 343.449 0.925 20 30 ECEDLO CC#CC[C@@H](CO)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000649181045 440407848 /nfs/dbraw/zinc/40/78/48/440407848.db2.gz SGVOGXMIEZPLLE-DZGCQCFKSA-N 1 2 334.420 0.374 20 30 ECEDLO CC#CC[C@@H](CO)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000649181045 440407855 /nfs/dbraw/zinc/40/78/55/440407855.db2.gz SGVOGXMIEZPLLE-DZGCQCFKSA-N 1 2 334.420 0.374 20 30 ECEDLO C=C(C)COCCNC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633119448 440455355 /nfs/dbraw/zinc/45/53/55/440455355.db2.gz DRVQQTNOWPJNJA-UHFFFAOYSA-N 1 2 333.436 0.939 20 30 ECEDLO CC#CC[C@@H](CO)NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000645142716 440752347 /nfs/dbraw/zinc/75/23/47/440752347.db2.gz KOCVKWCYRGMXEY-HNNXBMFYSA-N 1 2 332.404 0.492 20 30 ECEDLO C=CC[N@@H+](CC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000661755100 440916695 /nfs/dbraw/zinc/91/66/95/440916695.db2.gz JYZZBBQSKAESJE-AWEZNQCLSA-N 1 2 346.493 0.935 20 30 ECEDLO C=CC[N@H+](CC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000661755100 440916698 /nfs/dbraw/zinc/91/66/98/440916698.db2.gz JYZZBBQSKAESJE-AWEZNQCLSA-N 1 2 346.493 0.935 20 30 ECEDLO COc1cc(C#N)ccc1NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000546711380 322120294 /nfs/dbraw/zinc/12/02/94/322120294.db2.gz KNPZEHMBKUFERO-UHFFFAOYSA-N 1 2 345.403 0.980 20 30 ECEDLO C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)n1)[C@H](C)[NH+]1CCOCC1 ZINC000579107862 322886011 /nfs/dbraw/zinc/88/60/11/322886011.db2.gz IHJWBOAATKDDME-NEPJUHHUSA-N 1 2 331.376 0.117 20 30 ECEDLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000332465885 537703827 /nfs/dbraw/zinc/70/38/27/537703827.db2.gz LERBRFSBGNQZNV-HNNXBMFYSA-N 1 2 345.447 0.262 20 30 ECEDLO C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000332465885 537703832 /nfs/dbraw/zinc/70/38/32/537703832.db2.gz LERBRFSBGNQZNV-HNNXBMFYSA-N 1 2 345.447 0.262 20 30 ECEDLO Cn1ncc2c1nc(N1CC[NH+](CC(=O)NC3CC3)CC1)[nH]c2=O ZINC000328897336 546008544 /nfs/dbraw/zinc/00/85/44/546008544.db2.gz COPYNWUXHKOKRI-UHFFFAOYSA-N 1 2 331.380 0.310 20 30 ECEDLO O=C(CNC(=O)c1cccc(O)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000329999882 546037260 /nfs/dbraw/zinc/03/72/60/546037260.db2.gz VNFIRAMMYRSWLK-AWEZNQCLSA-N 1 2 333.388 0.630 20 30 ECEDLO C[C@H](CNC(=O)Nc1ccc(C(F)(F)F)nn1)[NH+]1CCOCC1 ZINC000330083911 546039126 /nfs/dbraw/zinc/03/91/26/546039126.db2.gz BQNRUCXKDASUJL-SECBINFHSA-N 1 2 333.314 1.542 20 30 ECEDLO C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)c1 ZINC000606444253 546301946 /nfs/dbraw/zinc/30/19/46/546301946.db2.gz MTEFNIOLGCVMKE-ZDUSSCGKSA-N 1 2 346.412 0.702 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2C(N)=O)CC1 ZINC000621385878 546511950 /nfs/dbraw/zinc/51/19/50/546511950.db2.gz YSNVQAOSAQNHTG-LBPRGKRZSA-N 1 2 334.395 0.737 20 30 ECEDLO C=CC[C@@H]1CC[N@@H+](CC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000625702496 547205089 /nfs/dbraw/zinc/20/50/89/547205089.db2.gz GQCCACVEOUFJLB-CABCVRRESA-N 1 2 344.477 0.547 20 30 ECEDLO C=CC[C@@H]1CC[N@H+](CC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000625702496 547205096 /nfs/dbraw/zinc/20/50/96/547205096.db2.gz GQCCACVEOUFJLB-CABCVRRESA-N 1 2 344.477 0.547 20 30 ECEDLO C=CCCn1cc(C[N@H+]2CCC[C@H](CS(=O)(=O)NC)C2)nn1 ZINC000626165813 547304638 /nfs/dbraw/zinc/30/46/38/547304638.db2.gz GQKLEMQVLBRMDY-ZDUSSCGKSA-N 1 2 327.454 0.615 20 30 ECEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H](CS(=O)(=O)NC)C2)nn1 ZINC000626165813 547304642 /nfs/dbraw/zinc/30/46/42/547304642.db2.gz GQKLEMQVLBRMDY-ZDUSSCGKSA-N 1 2 327.454 0.615 20 30 ECEDLO CC#CC[C@H](CO)NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000645203241 547413351 /nfs/dbraw/zinc/41/33/51/547413351.db2.gz JWAKPJCDPGOTDL-GDBMZVCRSA-N 1 2 341.477 0.268 20 30 ECEDLO C=C[C@](C)(O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000667671102 547542634 /nfs/dbraw/zinc/54/26/34/547542634.db2.gz HWUMBHKADGJONM-KRWDZBQOSA-N 1 2 332.404 0.174 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000668187651 547600974 /nfs/dbraw/zinc/60/09/74/547600974.db2.gz MVCDGMNVANXSRC-MRXNPFEDSA-N 1 2 349.435 0.625 20 30 ECEDLO C=CCn1c(COC)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000669803964 547936511 /nfs/dbraw/zinc/93/65/11/547936511.db2.gz DEDJYRJDKHDWAL-CYBMUJFWSA-N 1 2 348.451 0.400 20 30 ECEDLO C=C(C)[C@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000677476691 548934636 /nfs/dbraw/zinc/93/46/36/548934636.db2.gz ZLWADRMEWISLMM-INIZCTEOSA-N 1 2 340.445 0.939 20 30 ECEDLO COCC#CCn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000677806563 548957625 /nfs/dbraw/zinc/95/76/25/548957625.db2.gz FLGPEEOWVOPVHG-MRXNPFEDSA-N 1 2 327.388 0.896 20 30 ECEDLO COCC#CCn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000677806563 548957628 /nfs/dbraw/zinc/95/76/28/548957628.db2.gz FLGPEEOWVOPVHG-MRXNPFEDSA-N 1 2 327.388 0.896 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C ZINC000749914749 579344642 /nfs/dbraw/zinc/34/46/42/579344642.db2.gz OLVODWYRGQXOIR-CQSZACIVSA-N 1 2 329.400 0.733 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C ZINC000749914749 579344644 /nfs/dbraw/zinc/34/46/44/579344644.db2.gz OLVODWYRGQXOIR-CQSZACIVSA-N 1 2 329.400 0.733 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000753023015 579393647 /nfs/dbraw/zinc/39/36/47/579393647.db2.gz PDYXJYPYZFJPSG-SJORKVTESA-N 1 2 340.427 0.786 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000753023015 579393648 /nfs/dbraw/zinc/39/36/48/579393648.db2.gz PDYXJYPYZFJPSG-SJORKVTESA-N 1 2 340.427 0.786 20 30 ECEDLO C=C(C)[C@H](CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)OCC ZINC000755880473 579440568 /nfs/dbraw/zinc/44/05/68/579440568.db2.gz ONWORDSHLBNANS-HNNXBMFYSA-N 1 2 346.493 0.983 20 30 ECEDLO Cc1ccn(CN2CCN(Cc3[nH+]ccn3C)CC2)c(=O)c1C#N ZINC000758220711 579468853 /nfs/dbraw/zinc/46/88/53/579468853.db2.gz RLSJKQGJZBNHHZ-UHFFFAOYSA-N 1 2 326.404 0.537 20 30 ECEDLO N#CCOc1ccc(CNC(=S)NCC[NH+]2CCOCC2)cc1 ZINC000727659725 578283883 /nfs/dbraw/zinc/28/38/83/578283883.db2.gz JOJHNPQIQVWDLB-UHFFFAOYSA-N 1 2 334.445 0.885 20 30 ECEDLO N#C[C@@H](C(=O)C[N@@H+](CCO)C1CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000728913277 578291818 /nfs/dbraw/zinc/29/18/18/578291818.db2.gz RNBWXCVNICTSME-ZDUSSCGKSA-N 1 2 326.356 0.968 20 30 ECEDLO N#C[C@@H](C(=O)C[N@H+](CCO)C1CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000728913277 578291819 /nfs/dbraw/zinc/29/18/19/578291819.db2.gz RNBWXCVNICTSME-ZDUSSCGKSA-N 1 2 326.356 0.968 20 30 ECEDLO NC(=[NH+]OCC(=O)N1CCN(C(=O)C2CC2)CC1)c1ccc(F)cc1 ZINC000729673805 578297773 /nfs/dbraw/zinc/29/77/73/578297773.db2.gz JDTRNQLSTVDQIN-UHFFFAOYSA-N 1 2 348.378 0.543 20 30 ECEDLO C=CCn1nnn(CN2CCN(Cc3[nH+]ccn3C)CC2)c1=S ZINC000729983550 578302047 /nfs/dbraw/zinc/30/20/47/578302047.db2.gz WEYTUKBFFFWHNI-UHFFFAOYSA-N 1 2 334.453 0.504 20 30 ECEDLO CC(=[NH+]NC(=S)NCC(N)=O)c1ccc(N2CCOCC2)cc1 ZINC000731929125 578317816 /nfs/dbraw/zinc/31/78/16/578317816.db2.gz AIRXDZYUWFBIPN-UHFFFAOYSA-N 1 2 335.433 0.197 20 30 ECEDLO C#CC[N@H+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000735374122 578382832 /nfs/dbraw/zinc/38/28/32/578382832.db2.gz CLMZZOUACGLXBJ-CYBMUJFWSA-N 1 2 331.401 0.489 20 30 ECEDLO C#CC[N@@H+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000735374122 578382833 /nfs/dbraw/zinc/38/28/33/578382833.db2.gz CLMZZOUACGLXBJ-CYBMUJFWSA-N 1 2 331.401 0.489 20 30 ECEDLO C#CCC[C@H](O)CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000799287879 578662670 /nfs/dbraw/zinc/66/26/70/578662670.db2.gz UWOYXIJZBFGJBV-HNNXBMFYSA-N 1 2 326.356 0.701 20 30 ECEDLO CCCCCCCS(=O)(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000799785121 578670080 /nfs/dbraw/zinc/67/00/80/578670080.db2.gz GZQNAGZQIRXWKH-HNNXBMFYSA-N 1 2 336.498 0.912 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCn3c(C(C)C)nnc3[C@H]2C)CC1 ZINC000784377938 578751151 /nfs/dbraw/zinc/75/11/51/578751151.db2.gz CZYHRYYTONABMZ-OAHLLOKOSA-N 1 2 344.463 0.556 20 30 ECEDLO C#CCCCNC(=O)C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000787194695 578801836 /nfs/dbraw/zinc/80/18/36/578801836.db2.gz BDTYGYFPSMVKNF-CQSZACIVSA-N 1 2 344.415 0.453 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@H]1CCCO1 ZINC000788846392 578844367 /nfs/dbraw/zinc/84/43/67/578844367.db2.gz HPPDRHIEEXNAJU-LSDHHAIUSA-N 1 2 344.415 0.175 20 30 ECEDLO N#Cc1c(=O)n(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc2c1CCCC2 ZINC000793517019 578930619 /nfs/dbraw/zinc/93/06/19/578930619.db2.gz OSZYVVCLIQRZCL-CJNGLKHVSA-N 1 2 342.399 0.987 20 30 ECEDLO N#Cc1c(=O)n(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc2c1CCCC2 ZINC000793517019 578930621 /nfs/dbraw/zinc/93/06/21/578930621.db2.gz OSZYVVCLIQRZCL-CJNGLKHVSA-N 1 2 342.399 0.987 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1c[nH+]cn1C ZINC000766383365 579086920 /nfs/dbraw/zinc/08/69/20/579086920.db2.gz WDBDALQILHAFNC-LLVKDONJSA-N 1 2 348.384 0.702 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000772060971 579199801 /nfs/dbraw/zinc/19/98/01/579199801.db2.gz LENDKELJKVWXAX-MNOVXSKESA-N 1 2 329.422 0.367 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000772060971 579199802 /nfs/dbraw/zinc/19/98/02/579199802.db2.gz LENDKELJKVWXAX-MNOVXSKESA-N 1 2 329.422 0.367 20 30 ECEDLO C#C[C@H]([NH2+]Cc1nnc2n1c1ccsc1c(=O)n2C)[C@@H]1CCCO1 ZINC000775791386 579271211 /nfs/dbraw/zinc/27/12/11/579271211.db2.gz UXHJFDWKFWNARO-JQWIXIFHSA-N 1 2 343.412 0.913 20 30 ECEDLO C#C[C@@H](NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)[C@H]1CCCO1 ZINC000776236220 579278562 /nfs/dbraw/zinc/27/85/62/579278562.db2.gz ZLQWSOGZWTXOSW-HUUCEWRRSA-N 1 2 329.404 0.797 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNC(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000760431240 579510584 /nfs/dbraw/zinc/51/05/84/579510584.db2.gz WBJIVOSHQPXXAX-UHFFFAOYSA-N 1 2 345.399 0.211 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000761025928 579519670 /nfs/dbraw/zinc/51/96/70/579519670.db2.gz YGNYUNWLBNVASS-UHFFFAOYSA-N 1 2 348.428 0.022 20 30 ECEDLO CCOC(=O)[C@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000741246388 579769113 /nfs/dbraw/zinc/76/91/13/579769113.db2.gz GLXJZIMCGIKSJB-GOEBONIOSA-N 1 2 334.372 0.562 20 30 ECEDLO CCOC(=O)[C@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000741246388 579769114 /nfs/dbraw/zinc/76/91/14/579769114.db2.gz GLXJZIMCGIKSJB-GOEBONIOSA-N 1 2 334.372 0.562 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000742143371 579780332 /nfs/dbraw/zinc/78/03/32/579780332.db2.gz VTOKRGXFFLLEMC-KBPBESRZSA-N 1 2 329.404 0.129 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000742143371 579780333 /nfs/dbraw/zinc/78/03/33/579780333.db2.gz VTOKRGXFFLLEMC-KBPBESRZSA-N 1 2 329.404 0.129 20 30 ECEDLO C[S@](=O)CC[NH+]1CCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000746466350 579839897 /nfs/dbraw/zinc/83/98/97/579839897.db2.gz DAJDSYDSEFHBMO-QHCPKHFHSA-N 1 2 334.445 0.493 20 30 ECEDLO C#Cc1cccc(NC(=O)C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000835823255 588918246 /nfs/dbraw/zinc/91/82/46/588918246.db2.gz FSYXNTQTUINFQS-IYBDPMFKSA-N 1 2 327.384 0.586 20 30 ECEDLO C#Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000835823255 588918248 /nfs/dbraw/zinc/91/82/48/588918248.db2.gz FSYXNTQTUINFQS-IYBDPMFKSA-N 1 2 327.384 0.586 20 30 ECEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000840526403 588969258 /nfs/dbraw/zinc/96/92/58/588969258.db2.gz VAJOFEGKLNLQTK-UHFFFAOYSA-N 1 2 330.384 0.994 20 30 ECEDLO O=C(C[NH+]1CCN(c2ccccn2)CC1)NCC#C[C@@H]1CCCCO1 ZINC000891127355 586084129 /nfs/dbraw/zinc/08/41/29/586084129.db2.gz VBWHLPXOKHZILO-KRWDZBQOSA-N 1 2 342.443 0.892 20 30 ECEDLO C#CC1(O)CC[NH+](Cc2cn(C)nc2I)CC1 ZINC000895385416 586180163 /nfs/dbraw/zinc/18/01/63/586180163.db2.gz AQFFCDIPJDZSLS-UHFFFAOYSA-N 1 2 345.184 0.985 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccnc2OCC)C1 ZINC000891608682 586181668 /nfs/dbraw/zinc/18/16/68/586181668.db2.gz XGBXENMESLUQRV-CYBMUJFWSA-N 1 2 330.388 0.633 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccnc2OCC)C1 ZINC000891608682 586181671 /nfs/dbraw/zinc/18/16/71/586181671.db2.gz XGBXENMESLUQRV-CYBMUJFWSA-N 1 2 330.388 0.633 20 30 ECEDLO N#Cc1ccccc1OCC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899052432 586464937 /nfs/dbraw/zinc/46/49/37/586464937.db2.gz BGPYZNYDBKOCCG-UHFFFAOYSA-N 1 2 331.372 0.502 20 30 ECEDLO N#Cc1ccccc1OCC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899052432 586464939 /nfs/dbraw/zinc/46/49/39/586464939.db2.gz BGPYZNYDBKOCCG-UHFFFAOYSA-N 1 2 331.372 0.502 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@]2(c3ccc(OC)cc3)C[C@H](O)C2)CC1 ZINC000900691476 586656919 /nfs/dbraw/zinc/65/69/19/586656919.db2.gz YLUABCIDPCJCKM-RUCARUNLSA-N 1 2 328.412 0.865 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1cn2ccnc2s1 ZINC000901130882 586696887 /nfs/dbraw/zinc/69/68/87/586696887.db2.gz ZHTRAWPOSNQXTH-UHFFFAOYSA-N 1 2 338.462 0.526 20 30 ECEDLO C=CC[C@H]([NH2+]CCCc1ccc(S(N)(=O)=O)cc1)C(=O)OC ZINC000901687888 586713893 /nfs/dbraw/zinc/71/38/93/586713893.db2.gz HYBRYEMLWUVSTF-AWEZNQCLSA-N 1 2 326.418 0.974 20 30 ECEDLO COCC[C@H]1CCN(C[NH+]2CCN(c3cccc(C#N)n3)CC2)C1=O ZINC000902222137 586725150 /nfs/dbraw/zinc/72/51/50/586725150.db2.gz JGNFBCNMLDTUOL-OAHLLOKOSA-N 1 2 343.431 0.918 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1cc(F)cc(C#N)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000866989119 586819351 /nfs/dbraw/zinc/81/93/51/586819351.db2.gz VMMGWUJOJVVUDW-YGRLFVJLSA-N 1 2 327.381 0.695 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1cc(F)cc(C#N)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000866989119 586819352 /nfs/dbraw/zinc/81/93/52/586819352.db2.gz VMMGWUJOJVVUDW-YGRLFVJLSA-N 1 2 327.381 0.695 20 30 ECEDLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000805474302 586910231 /nfs/dbraw/zinc/91/02/31/586910231.db2.gz PPTJIKCIXLIIMS-ZDUSSCGKSA-N 1 2 335.360 0.971 20 30 ECEDLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000805474302 586910233 /nfs/dbraw/zinc/91/02/33/586910233.db2.gz PPTJIKCIXLIIMS-ZDUSSCGKSA-N 1 2 335.360 0.971 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C[C@@H](O)C[C@@]3(O)CCOC3)CC2)cc1 ZINC000905899805 586920964 /nfs/dbraw/zinc/92/09/64/586920964.db2.gz ZCAORKGXFJTTER-OALUTQOASA-N 1 2 345.443 0.578 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cn2)CC[N@@H+]1CC(C)(C)O ZINC000907139956 587017462 /nfs/dbraw/zinc/01/74/62/587017462.db2.gz ADFPCILHDGCUTI-LBPRGKRZSA-N 1 2 338.433 0.419 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cn2)CC[N@H+]1CC(C)(C)O ZINC000907139956 587017463 /nfs/dbraw/zinc/01/74/63/587017463.db2.gz ADFPCILHDGCUTI-LBPRGKRZSA-N 1 2 338.433 0.419 20 30 ECEDLO CN(C(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1ccc(C#N)cn1 ZINC000907250684 587029695 /nfs/dbraw/zinc/02/96/95/587029695.db2.gz ZAYIGWHJDQZOGO-UHFFFAOYSA-N 1 2 338.433 0.685 20 30 ECEDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000807284836 587124426 /nfs/dbraw/zinc/12/44/26/587124426.db2.gz QLMFWYOEWGACMB-JSGCOSHPSA-N 1 2 342.355 0.880 20 30 ECEDLO N#Cc1ccc(-c2ccn(C[N@H+]3CC[C@H]4OCC(=O)N[C@@H]4C3)n2)cc1 ZINC000840152327 587166081 /nfs/dbraw/zinc/16/60/81/587166081.db2.gz IQWPQXYLLXRJEV-IAGOWNOFSA-N 1 2 337.383 0.969 20 30 ECEDLO N#Cc1ccc(-c2ccn(C[N@@H+]3CC[C@H]4OCC(=O)N[C@@H]4C3)n2)cc1 ZINC000840152327 587166083 /nfs/dbraw/zinc/16/60/83/587166083.db2.gz IQWPQXYLLXRJEV-IAGOWNOFSA-N 1 2 337.383 0.969 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)[C@@H]1CCCO1 ZINC000809312272 587174901 /nfs/dbraw/zinc/17/49/01/587174901.db2.gz LZGODDWCLBBBMP-VGWMRTNUSA-N 1 2 344.415 0.590 20 30 ECEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)c1csc(C)n1 ZINC000812390307 587236693 /nfs/dbraw/zinc/23/66/93/587236693.db2.gz ZPANGTHZPIZNHV-UHFFFAOYSA-N 1 2 327.479 0.972 20 30 ECEDLO CON=C(C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1csc(N)n1 ZINC000820837644 587559131 /nfs/dbraw/zinc/55/91/31/587559131.db2.gz MNNCDGRJEWMDBG-JTQLQIEISA-N 1 2 339.421 0.009 20 30 ECEDLO C#C[C@H](NC(=O)N1CCN(Cc2[nH+]ccn2C)CC1)C1CCOCC1 ZINC000823186998 587708056 /nfs/dbraw/zinc/70/80/56/587708056.db2.gz YFSHEJUMJAYTKD-INIZCTEOSA-N 1 2 345.447 0.676 20 30 ECEDLO C#Cc1cnc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)nc1 ZINC000827326766 588112712 /nfs/dbraw/zinc/11/27/12/588112712.db2.gz HNLPIRLYMWPLAZ-UHFFFAOYSA-N 1 2 327.432 0.983 20 30 ECEDLO C#Cc1cnc(N2CC[NH+]([C@H](C)C(=O)NCCCOC)CC2)nc1 ZINC000827557193 588127745 /nfs/dbraw/zinc/12/77/45/588127745.db2.gz JPUGEMQBLAROPC-CQSZACIVSA-N 1 2 331.420 0.121 20 30 ECEDLO C=C(C)C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(=O)OC ZINC000828111688 588159315 /nfs/dbraw/zinc/15/93/15/588159315.db2.gz QABAZLJXWBPCSC-ILXRZTDVSA-N 1 2 340.420 0.490 20 30 ECEDLO COc1cc(C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)ccc1C#N ZINC000829220392 588319046 /nfs/dbraw/zinc/31/90/46/588319046.db2.gz IVYJTWATLZLGNP-UHFFFAOYSA-N 1 2 330.388 0.589 20 30 ECEDLO COC(=O)Nc1ccc(CNC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000829987486 588352251 /nfs/dbraw/zinc/35/22/51/588352251.db2.gz GBDRNXVVLRPCIG-QGZVFWFLSA-N 1 2 346.387 0.832 20 30 ECEDLO COC(=O)Nc1ccc(CNC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000829987486 588352253 /nfs/dbraw/zinc/35/22/53/588352253.db2.gz GBDRNXVVLRPCIG-QGZVFWFLSA-N 1 2 346.387 0.832 20 30 ECEDLO C[C@](O)(C[N@@H+]1CC[C@](O)(CC#N)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000829991632 588352677 /nfs/dbraw/zinc/35/26/77/588352677.db2.gz LATISEDSPSGCGD-JKSUJKDBSA-N 1 2 338.429 0.648 20 30 ECEDLO C[C@](O)(C[N@H+]1CC[C@](O)(CC#N)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000829991632 588352679 /nfs/dbraw/zinc/35/26/79/588352679.db2.gz LATISEDSPSGCGD-JKSUJKDBSA-N 1 2 338.429 0.648 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000831472805 588427910 /nfs/dbraw/zinc/42/79/10/588427910.db2.gz NKGZKZAOOMDYDY-LBPRGKRZSA-N 1 2 335.383 0.743 20 30 ECEDLO CN(C)c1nc(N)nc(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)n1 ZINC000844368189 589109513 /nfs/dbraw/zinc/10/95/13/589109513.db2.gz XBQMTWYTBGBHGY-ZDUSSCGKSA-N 1 2 327.392 0.557 20 30 ECEDLO CN(C)c1nc(N)nc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)n1 ZINC000844368189 589109514 /nfs/dbraw/zinc/10/95/14/589109514.db2.gz XBQMTWYTBGBHGY-ZDUSSCGKSA-N 1 2 327.392 0.557 20 30 ECEDLO C[C@H]1C[N@H+](CCNC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)CCO1 ZINC000844943667 589126372 /nfs/dbraw/zinc/12/63/72/589126372.db2.gz PRXSBOSMRCLGQN-WMLDXEAASA-N 1 2 346.431 0.954 20 30 ECEDLO C[C@H]1C[N@@H+](CCNC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)CCO1 ZINC000844943667 589126374 /nfs/dbraw/zinc/12/63/74/589126374.db2.gz PRXSBOSMRCLGQN-WMLDXEAASA-N 1 2 346.431 0.954 20 30 ECEDLO COCCOCC[NH+]1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000846617919 589214339 /nfs/dbraw/zinc/21/43/39/589214339.db2.gz XSYIOUKJPVJPAO-KRWDZBQOSA-N 1 2 347.415 0.399 20 30 ECEDLO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000846723934 589220580 /nfs/dbraw/zinc/22/05/80/589220580.db2.gz PBBLVVHZOYGXLN-HNNXBMFYSA-N 1 2 341.371 0.063 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](Cc2[nH]nc(C)c2C(=O)OCC)CC1 ZINC000851739442 589419381 /nfs/dbraw/zinc/41/93/81/589419381.db2.gz AMQIXGYQWQSIHF-UHFFFAOYSA-N 1 2 332.404 0.856 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(C2CC2)C2(C(=O)OC)CCC2)CC1 ZINC000852178211 589447420 /nfs/dbraw/zinc/44/74/20/589447420.db2.gz YXUOXBYHLLUCND-UHFFFAOYSA-N 1 2 333.432 0.324 20 30 ECEDLO COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852329242 589491319 /nfs/dbraw/zinc/49/13/19/589491319.db2.gz WSXLMYHUNKMDLM-SFHVURJKSA-N 1 2 344.415 0.960 20 30 ECEDLO COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852329242 589491321 /nfs/dbraw/zinc/49/13/21/589491321.db2.gz WSXLMYHUNKMDLM-SFHVURJKSA-N 1 2 344.415 0.960 20 30 ECEDLO COC(=O)CNC(=O)CC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328856 589491363 /nfs/dbraw/zinc/49/13/63/589491363.db2.gz OJIAUMNEOSUQNN-QGZVFWFLSA-N 1 2 330.388 0.618 20 30 ECEDLO COC(=O)CNC(=O)CC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328856 589491365 /nfs/dbraw/zinc/49/13/65/589491365.db2.gz OJIAUMNEOSUQNN-QGZVFWFLSA-N 1 2 330.388 0.618 20 30 ECEDLO N#Cc1sccc1N1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)CC1 ZINC000852846107 589517489 /nfs/dbraw/zinc/51/74/89/589517489.db2.gz QTRSWUJWIWAXEJ-UHFFFAOYSA-N 1 2 342.428 0.951 20 30 ECEDLO Cn1c(CC#N)nn(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)c1=S ZINC000853593711 589550783 /nfs/dbraw/zinc/55/07/83/589550783.db2.gz PGIYOTBNXNUAKZ-GFCCVEGCSA-N 1 2 334.449 0.919 20 30 ECEDLO Cn1c(CC#N)nn(C[N@H+]2CC[C@@H](CN3CCCC3=O)C2)c1=S ZINC000853593711 589550785 /nfs/dbraw/zinc/55/07/85/589550785.db2.gz PGIYOTBNXNUAKZ-GFCCVEGCSA-N 1 2 334.449 0.919 20 30 ECEDLO C#CCC[N@@H+](CCOC)CN1C(=O)C(=O)N(Cc2cccs2)C1=O ZINC000853620122 589552472 /nfs/dbraw/zinc/55/24/72/589552472.db2.gz RUDAQRFKRXWLDB-UHFFFAOYSA-N 1 2 349.412 0.968 20 30 ECEDLO C#CCC[N@H+](CCOC)CN1C(=O)C(=O)N(Cc2cccs2)C1=O ZINC000853620122 589552473 /nfs/dbraw/zinc/55/24/73/589552473.db2.gz RUDAQRFKRXWLDB-UHFFFAOYSA-N 1 2 349.412 0.968 20 30 ECEDLO C#CC[C@H](CO)NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000854543764 589591989 /nfs/dbraw/zinc/59/19/89/589591989.db2.gz FRHUDXGUQSLVHI-CYBMUJFWSA-N 1 2 338.429 0.136 20 30 ECEDLO N#Cc1ccc([C@H](O)C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000854726489 589602974 /nfs/dbraw/zinc/60/29/74/589602974.db2.gz DQGWVWOCLLHABB-IRXDYDNUSA-N 1 2 329.400 0.915 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNC(=O)CCc2ccc(C)cc2)CC1 ZINC000112920323 589617389 /nfs/dbraw/zinc/61/73/89/589617389.db2.gz RNYDEGYQDJGMCH-UHFFFAOYSA-N 1 2 327.428 0.821 20 30 ECEDLO C[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1[nH+]ccn1C ZINC000856277144 589658753 /nfs/dbraw/zinc/65/87/53/589658753.db2.gz VVHUIYFIPLKWBO-SNVBAGLBSA-N 1 2 347.400 0.336 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2C(N)=O)CC1 ZINC000856810662 589676710 /nfs/dbraw/zinc/67/67/10/589676710.db2.gz RYTKOAXEGBCVAO-LBPRGKRZSA-N 1 2 332.379 0.185 20 30 ECEDLO CC[C@@H](CC#N)OC(=O)[C@@H]1OCC(=O)N(CC)[C@H]1c1[nH+]ccn1C ZINC000860695273 589793690 /nfs/dbraw/zinc/79/36/90/589793690.db2.gz SMQLUAKHVVSFMF-IACUBPJLSA-N 1 2 334.376 0.944 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3cn[nH]c3)n2C[C@@H]2CCCO2)CC1 ZINC000859085192 589798316 /nfs/dbraw/zinc/79/83/16/589798316.db2.gz MAOJOINISWNKON-HNNXBMFYSA-N 1 2 341.419 0.602 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000859224631 589809191 /nfs/dbraw/zinc/80/91/91/589809191.db2.gz FPJYANHXDKBNJP-OAHLLOKOSA-N 1 2 349.475 0.864 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000859224631 589809193 /nfs/dbraw/zinc/80/91/93/589809193.db2.gz FPJYANHXDKBNJP-OAHLLOKOSA-N 1 2 349.475 0.864 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H](C)C(F)(F)F)CC1 ZINC000859224716 589809506 /nfs/dbraw/zinc/80/95/06/589809506.db2.gz HRAINPNEUWQCJX-LBPRGKRZSA-N 1 2 333.354 0.859 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](C)C(F)(F)F)CC1 ZINC000859224716 589809511 /nfs/dbraw/zinc/80/95/11/589809511.db2.gz HRAINPNEUWQCJX-LBPRGKRZSA-N 1 2 333.354 0.859 20 30 ECEDLO C[N@@H+]1Cc2ccccc2[C@@H]1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000867796428 589843976 /nfs/dbraw/zinc/84/39/76/589843976.db2.gz YWTXNKGFAZMPGM-ZFWWWQNUSA-N 1 2 336.417 0.232 20 30 ECEDLO C[N@H+]1Cc2ccccc2[C@@H]1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000867796428 589843978 /nfs/dbraw/zinc/84/39/78/589843978.db2.gz YWTXNKGFAZMPGM-ZFWWWQNUSA-N 1 2 336.417 0.232 20 30 ECEDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1 ZINC000867863246 589855253 /nfs/dbraw/zinc/85/52/53/589855253.db2.gz XMJPNCABHBNCGM-CVEARBPZSA-N 1 2 335.429 0.275 20 30 ECEDLO C[N@H+]1CCO[C@H](CS(=O)(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1 ZINC000867863246 589855257 /nfs/dbraw/zinc/85/52/57/589855257.db2.gz XMJPNCABHBNCGM-CVEARBPZSA-N 1 2 335.429 0.275 20 30 ECEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1 ZINC000868235614 589883335 /nfs/dbraw/zinc/88/33/35/589883335.db2.gz BTJKZJCXVGYPGA-IRXDYDNUSA-N 1 2 327.432 0.570 20 30 ECEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1 ZINC000868235614 589883338 /nfs/dbraw/zinc/88/33/38/589883338.db2.gz BTJKZJCXVGYPGA-IRXDYDNUSA-N 1 2 327.432 0.570 20 30 ECEDLO CON=Cc1ccc(C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000870076820 589998256 /nfs/dbraw/zinc/99/82/56/589998256.db2.gz YRXUIGHQQWNDIT-KRWDZBQOSA-N 1 2 347.415 0.840 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC000863866530 590043762 /nfs/dbraw/zinc/04/37/62/590043762.db2.gz VKIHFEPQBRMMEN-HUUCEWRRSA-N 1 2 329.400 0.667 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC000863866530 590043765 /nfs/dbraw/zinc/04/37/65/590043765.db2.gz VKIHFEPQBRMMEN-HUUCEWRRSA-N 1 2 329.400 0.667 20 30 ECEDLO Cc1cccc(C#N)c1S(=O)(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000871807584 590087626 /nfs/dbraw/zinc/08/76/26/590087626.db2.gz PXIMGCSFEUSDRA-AWEZNQCLSA-N 1 2 345.428 0.935 20 30 ECEDLO C#CCN(C(=O)Cc1cn2cc(F)ccc2[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000864974227 590118861 /nfs/dbraw/zinc/11/88/61/590118861.db2.gz BXNZIMBOQBFWRR-CQSZACIVSA-N 1 2 349.387 0.665 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ncc(OC)cc2F)CC1 ZINC000865177473 590129214 /nfs/dbraw/zinc/12/92/14/590129214.db2.gz CVRQRXPMRYTKRS-UHFFFAOYSA-N 1 2 348.378 0.127 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ncc(OC)cc2F)CC1 ZINC000865177473 590129216 /nfs/dbraw/zinc/12/92/16/590129216.db2.gz CVRQRXPMRYTKRS-UHFFFAOYSA-N 1 2 348.378 0.127 20 30 ECEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@H]2C[C@H](C(N)=O)C2)CC1=O ZINC000865288860 590137723 /nfs/dbraw/zinc/13/77/23/590137723.db2.gz UYGLQCBCHOISCY-XYPYZODXSA-N 1 2 339.399 0.910 20 30 ECEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1 ZINC000873083325 590182274 /nfs/dbraw/zinc/18/22/74/590182274.db2.gz OKKZVAGCZZSWDG-MRXNPFEDSA-N 1 2 344.419 0.115 20 30 ECEDLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1 ZINC000873083325 590182275 /nfs/dbraw/zinc/18/22/75/590182275.db2.gz OKKZVAGCZZSWDG-MRXNPFEDSA-N 1 2 344.419 0.115 20 30 ECEDLO C=CCN(C(=O)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2)[C@@H](C)COC ZINC000873940024 590212919 /nfs/dbraw/zinc/21/29/19/590212919.db2.gz LOBLXVUFRFLVMZ-LBPRGKRZSA-N 1 2 335.408 0.317 20 30 ECEDLO C=CCN(C(=O)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2)[C@@H](C)COC ZINC000873940024 590212920 /nfs/dbraw/zinc/21/29/20/590212920.db2.gz LOBLXVUFRFLVMZ-LBPRGKRZSA-N 1 2 335.408 0.317 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000875426426 590301386 /nfs/dbraw/zinc/30/13/86/590301386.db2.gz KULVIVUDESXDGB-JQFCIGGWSA-N 1 2 343.427 0.997 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000875426426 590301388 /nfs/dbraw/zinc/30/13/88/590301388.db2.gz KULVIVUDESXDGB-JQFCIGGWSA-N 1 2 343.427 0.997 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cn1ccc(Br)cc1=O ZINC000875705944 590323182 /nfs/dbraw/zinc/32/31/82/590323182.db2.gz WLSGCHLTRSIUAA-CYBMUJFWSA-N 1 2 341.209 0.571 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879932765 590352192 /nfs/dbraw/zinc/35/21/92/590352192.db2.gz MOUXEFGORQRTOU-MCIONIFRSA-N 1 2 327.450 0.361 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879932765 590352193 /nfs/dbraw/zinc/35/21/93/590352193.db2.gz MOUXEFGORQRTOU-MCIONIFRSA-N 1 2 327.450 0.361 20 30 ECEDLO CCNC(=O)CN1CC[NH+](Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000876568132 590387413 /nfs/dbraw/zinc/38/74/13/590387413.db2.gz KDHZVGDHLONUKD-UHFFFAOYSA-N 1 2 329.448 0.878 20 30 ECEDLO CN(C(=O)C[N@H+](CC(N)=O)C1CCOCC1)C1(C#N)CCCCC1 ZINC000880391262 590388153 /nfs/dbraw/zinc/38/81/53/590388153.db2.gz GTIXRTJDGWNARU-UHFFFAOYSA-N 1 2 336.436 0.638 20 30 ECEDLO CN(C(=O)C[N@@H+](CC(N)=O)C1CCOCC1)C1(C#N)CCCCC1 ZINC000880391262 590388154 /nfs/dbraw/zinc/38/81/54/590388154.db2.gz GTIXRTJDGWNARU-UHFFFAOYSA-N 1 2 336.436 0.638 20 30 ECEDLO C#CCC1(O)CC[NH+](C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000880479676 590395092 /nfs/dbraw/zinc/39/50/92/590395092.db2.gz ZSRHLIUFMLJAKE-MRXNPFEDSA-N 1 2 337.441 0.974 20 30 ECEDLO C=CC[C@H](C(=O)OC)[NH+]1CCN(c2ncnc3c2cnn3C)CC1 ZINC000877917619 590486598 /nfs/dbraw/zinc/48/65/98/590486598.db2.gz ZPJKHBGGWVVDGR-CYBMUJFWSA-N 1 2 330.392 0.603 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnc(C3CC3)o2)CC1 ZINC000878737393 590539083 /nfs/dbraw/zinc/53/90/83/590539083.db2.gz LKZDKGQYLRAQNF-UHFFFAOYSA-N 1 2 330.388 0.449 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnc(C3CC3)o2)CC1 ZINC000878737393 590539086 /nfs/dbraw/zinc/53/90/86/590539086.db2.gz LKZDKGQYLRAQNF-UHFFFAOYSA-N 1 2 330.388 0.449 20 30 ECEDLO COc1ccc(C(=O)NC(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)cc1 ZINC000878773696 590541373 /nfs/dbraw/zinc/54/13/73/590541373.db2.gz IWAJFERIRZXWCZ-ZIAGYGMSSA-N 1 2 344.415 0.870 20 30 ECEDLO C=C(C)C[C@@H](NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)C(=O)OCC ZINC000882645030 590569002 /nfs/dbraw/zinc/56/90/02/590569002.db2.gz IGCTYZHDUKJFJO-QWHCGFSZSA-N 1 2 334.438 0.134 20 30 ECEDLO C=C(C)C[C@@H](NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)C(=O)OCC ZINC000882645030 590569004 /nfs/dbraw/zinc/56/90/04/590569004.db2.gz IGCTYZHDUKJFJO-QWHCGFSZSA-N 1 2 334.438 0.134 20 30 ECEDLO C#CCOc1ccc([C@@H](C)[NH2+]Cc2nnc3n2CCNC3=O)cc1 ZINC000883303235 590611934 /nfs/dbraw/zinc/61/19/34/590611934.db2.gz SDOMVGUSOUUCIY-GFCCVEGCSA-N 1 2 325.372 0.884 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)Cc2ccc(C(=O)NC)cc2)C1 ZINC000885507966 590729208 /nfs/dbraw/zinc/72/92/08/590729208.db2.gz AJBWUPHVLKYRAK-INIZCTEOSA-N 1 2 349.456 0.563 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)Cc2ccc(C(=O)NC)cc2)C1 ZINC000885507966 590729212 /nfs/dbraw/zinc/72/92/12/590729212.db2.gz AJBWUPHVLKYRAK-INIZCTEOSA-N 1 2 349.456 0.563 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CC2(OCC)CCOCC2)C1 ZINC000885509616 590729257 /nfs/dbraw/zinc/72/92/57/590729257.db2.gz UVCDKKUGWSSCJN-HNNXBMFYSA-N 1 2 344.477 0.589 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CC2(OCC)CCOCC2)C1 ZINC000885509616 590729260 /nfs/dbraw/zinc/72/92/60/590729260.db2.gz UVCDKKUGWSSCJN-HNNXBMFYSA-N 1 2 344.477 0.589 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)NC)cc2)C1 ZINC000885514396 590730435 /nfs/dbraw/zinc/73/04/35/590730435.db2.gz ZOVYPBMGUIBBMX-AWEZNQCLSA-N 1 2 335.429 0.422 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)NC)cc2)C1 ZINC000885514396 590730438 /nfs/dbraw/zinc/73/04/38/590730438.db2.gz ZOVYPBMGUIBBMX-AWEZNQCLSA-N 1 2 335.429 0.422 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(c2ccc(O)cc2)CC1 ZINC000884176074 590762825 /nfs/dbraw/zinc/76/28/25/590762825.db2.gz UHYHOXZWYWNADV-HNNXBMFYSA-N 1 2 333.388 0.487 20 30 ECEDLO C=CCOC(=O)[C@@H](N)CC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000884211155 590776838 /nfs/dbraw/zinc/77/68/38/590776838.db2.gz VIIIOOZLPMYGOT-CABCVRRESA-N 1 2 339.436 0.146 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](C)C2(S(C)(=O)=O)CC2)C1 ZINC000884342088 590810610 /nfs/dbraw/zinc/81/06/10/590810610.db2.gz PRSVQTQVVQGTPR-CHWSQXEVSA-N 1 2 327.450 0.349 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)C2(S(C)(=O)=O)CC2)C1 ZINC000884342088 590810615 /nfs/dbraw/zinc/81/06/15/590810615.db2.gz PRSVQTQVVQGTPR-CHWSQXEVSA-N 1 2 327.450 0.349 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccccc2S(C)(=O)=O)C1 ZINC000884413967 590823455 /nfs/dbraw/zinc/82/34/55/590823455.db2.gz HLVQNMKZKWRMHS-OAHLLOKOSA-N 1 2 349.456 0.987 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccccc2S(C)(=O)=O)C1 ZINC000884413967 590823459 /nfs/dbraw/zinc/82/34/59/590823459.db2.gz HLVQNMKZKWRMHS-OAHLLOKOSA-N 1 2 349.456 0.987 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCn3nncc3C2)CC1 ZINC000886462940 590851305 /nfs/dbraw/zinc/85/13/05/590851305.db2.gz JYUHIWFXZUJVDV-MRXNPFEDSA-N 1 2 345.451 0.176 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCCn3nncc3C2)CC1 ZINC000886462940 590851308 /nfs/dbraw/zinc/85/13/08/590851308.db2.gz JYUHIWFXZUJVDV-MRXNPFEDSA-N 1 2 345.451 0.176 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2OC)CC1 ZINC000946587271 611355889 /nfs/dbraw/zinc/35/58/89/611355889.db2.gz AQPJCIXTIBAHMW-HZPDHXFCSA-N 1 2 346.431 0.972 20 30 ECEDLO C#CC1CC[NH+](CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)CC1 ZINC000930821824 611468552 /nfs/dbraw/zinc/46/85/52/611468552.db2.gz PYBVLXCUANPFMA-UHFFFAOYSA-N 1 2 333.354 0.811 20 30 ECEDLO C#CC1(O)CC[NH+](Cc2c(C)nn(CCS(C)(=O)=O)c2C)CC1 ZINC000931148947 611511524 /nfs/dbraw/zinc/51/15/24/611511524.db2.gz ABLYGFNZIZBVPM-UHFFFAOYSA-N 1 2 339.461 0.505 20 30 ECEDLO COC1(OC)CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C[C@@H]1O ZINC000931635554 611558798 /nfs/dbraw/zinc/55/87/98/611558798.db2.gz JSTTYLDJWFEMIH-WFASDCNBSA-N 1 2 333.388 0.941 20 30 ECEDLO COC1(OC)CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C[C@@H]1O ZINC000931635554 611558799 /nfs/dbraw/zinc/55/87/99/611558799.db2.gz JSTTYLDJWFEMIH-WFASDCNBSA-N 1 2 333.388 0.941 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000948475168 611613819 /nfs/dbraw/zinc/61/38/19/611613819.db2.gz BVMSIUUTFYMWRO-CABCVRRESA-N 1 2 332.404 0.651 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C=CC(=O)Nc2ccc3n[nH]cc3c2)CC1 ZINC000162126844 608902157 /nfs/dbraw/zinc/90/21/57/608902157.db2.gz STWHTTMCCOAAFQ-AATRIKPKSA-N 1 2 337.383 0.835 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1cn(C)nn1 ZINC000947217345 608960559 /nfs/dbraw/zinc/96/05/59/608960559.db2.gz MHNFSNMOLPFRLS-NEPJUHHUSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1cn(C)nn1 ZINC000947217345 608960561 /nfs/dbraw/zinc/96/05/61/608960561.db2.gz MHNFSNMOLPFRLS-NEPJUHHUSA-N 1 2 327.392 0.798 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000937272194 609096665 /nfs/dbraw/zinc/09/66/65/609096665.db2.gz LIXQLXANHAAGJP-AWEZNQCLSA-N 1 2 340.387 0.915 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cnn(C)n3)[C@@H](C)C2)nn1 ZINC000947792855 611692987 /nfs/dbraw/zinc/69/29/87/611692987.db2.gz UEQRSLOUERHZOD-QWHCGFSZSA-N 1 2 344.423 0.376 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnn(C)n3)[C@@H](C)C2)nn1 ZINC000947792855 611692988 /nfs/dbraw/zinc/69/29/88/611692988.db2.gz UEQRSLOUERHZOD-QWHCGFSZSA-N 1 2 344.423 0.376 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(=O)n(C)c3)n2CC=C)CC1 ZINC000908734794 609659668 /nfs/dbraw/zinc/65/96/68/609659668.db2.gz MJOOHUFZRBGFEJ-UHFFFAOYSA-N 1 2 338.415 0.585 20 30 ECEDLO C=CCC[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)[O-] ZINC000908990268 609673479 /nfs/dbraw/zinc/67/34/79/609673479.db2.gz VMLKLEKKZKRYDH-DZGCQCFKSA-N 1 2 338.452 0.874 20 30 ECEDLO C=CCC[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)[O-] ZINC000908990268 609673480 /nfs/dbraw/zinc/67/34/80/609673480.db2.gz VMLKLEKKZKRYDH-DZGCQCFKSA-N 1 2 338.452 0.874 20 30 ECEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000928642184 611705833 /nfs/dbraw/zinc/70/58/33/611705833.db2.gz NBFVAPIZJDWTQU-HNNXBMFYSA-N 1 2 330.384 0.994 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)cn1 ZINC000938968170 610058526 /nfs/dbraw/zinc/05/85/26/610058526.db2.gz BKICAOUJWXUKOV-MRXNPFEDSA-N 1 2 337.383 0.702 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCc4n[nH]cc43)CC2)C1 ZINC000941411071 610301837 /nfs/dbraw/zinc/30/18/37/610301837.db2.gz UPAUFQRSRZMBCZ-INIZCTEOSA-N 1 2 341.459 0.681 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnc4n3[C@H](C)CCC4)CC2)C1 ZINC000941416593 610304594 /nfs/dbraw/zinc/30/45/94/610304594.db2.gz HNTTXWFATCLBKG-OAHLLOKOSA-N 1 2 341.459 0.856 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)Cn3ccc(C)n3)CC2)C1 ZINC000941423029 610307850 /nfs/dbraw/zinc/30/78/50/610307850.db2.gz TUBAUTUODLYFEH-OAHLLOKOSA-N 1 2 329.448 0.289 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnc(C)nc3OC)CC2)C1 ZINC000941431032 610312306 /nfs/dbraw/zinc/31/23/06/610312306.db2.gz IFNHRBPPQRQTMP-UHFFFAOYSA-N 1 2 343.431 0.259 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnc4nccnc4c3)CC2)C1 ZINC000941440812 610316715 /nfs/dbraw/zinc/31/67/15/610316715.db2.gz SISNMYWHSUZXGB-UHFFFAOYSA-N 1 2 336.399 0.100 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccnn3-c3ccccc3)CC2)C1 ZINC000941460747 610320123 /nfs/dbraw/zinc/32/01/23/610320123.db2.gz QWXNHHUFZCNIGF-UHFFFAOYSA-N 1 2 349.438 0.948 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3nc(C)c(C)nc3C)CC2)C1 ZINC000941479485 610334561 /nfs/dbraw/zinc/33/45/61/610334561.db2.gz FSYUDSFMUVVXGI-UHFFFAOYSA-N 1 2 341.459 0.867 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3COc4ccccc4C3)CC2)C1 ZINC000941480921 610335524 /nfs/dbraw/zinc/33/55/24/610335524.db2.gz RGQUNPMFFYIJSV-KRWDZBQOSA-N 1 2 339.439 0.699 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000942332632 610405209 /nfs/dbraw/zinc/40/52/09/610405209.db2.gz YZMBXTZWYIUVDZ-CHWSQXEVSA-N 1 2 338.371 0.758 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3cccc(COC)c3)CC2)C1 ZINC000941636397 610422162 /nfs/dbraw/zinc/42/21/62/610422162.db2.gz KPSHIQQNBWAYAY-UHFFFAOYSA-N 1 2 341.455 0.837 20 30 ECEDLO C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4[nH]nnc4C3)CC2)C1 ZINC000941636643 610422399 /nfs/dbraw/zinc/42/23/99/610422399.db2.gz RAZMEJSYENWHQP-CQSZACIVSA-N 1 2 344.463 0.314 20 30 ECEDLO C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4nn[nH]c4C3)CC2)C1 ZINC000941636643 610422402 /nfs/dbraw/zinc/42/24/02/610422402.db2.gz RAZMEJSYENWHQP-CQSZACIVSA-N 1 2 344.463 0.314 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cn(C)nc3Cl)CC2)C1 ZINC000941636616 610422488 /nfs/dbraw/zinc/42/24/88/610422488.db2.gz PHMCZMQSLNETBL-UHFFFAOYSA-N 1 2 335.839 0.539 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c4c(nn3C)CCC4)CC2)C1 ZINC000941636801 610422778 /nfs/dbraw/zinc/42/27/78/610422778.db2.gz USNDLFSXRHAVFC-UHFFFAOYSA-N 1 2 341.459 0.374 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCCN(C)C3=O)CC2)C1 ZINC000941638259 610423709 /nfs/dbraw/zinc/42/37/09/610423709.db2.gz AJSPYYYXYNKHDI-KRWDZBQOSA-N 1 2 346.475 0.097 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(CC)c[nH]c3=O)CC2)C1 ZINC000941621130 610425910 /nfs/dbraw/zinc/42/59/10/610425910.db2.gz SYKALSKDGKZNKR-UHFFFAOYSA-N 1 2 328.416 0.425 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000941673727 610447012 /nfs/dbraw/zinc/44/70/12/610447012.db2.gz OTVIMXPXHDGBOJ-GFCCVEGCSA-N 1 2 326.360 0.193 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)n3nc(C)cc3C)CC2)C1 ZINC000941682044 610461419 /nfs/dbraw/zinc/46/14/19/610461419.db2.gz CWUMSSYIEHZMEK-KRWDZBQOSA-N 1 2 343.475 0.913 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(CC)n(C)n3)CC2)C1 ZINC000941690602 610465643 /nfs/dbraw/zinc/46/56/43/610465643.db2.gz LSRXILJZZIBWRC-UHFFFAOYSA-N 1 2 329.448 0.448 20 30 ECEDLO C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](OC)C2)C1 ZINC000942549355 610509180 /nfs/dbraw/zinc/50/91/80/610509180.db2.gz QEWZANXRJWFNAN-ZIAGYGMSSA-N 1 2 332.404 0.581 20 30 ECEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000942751332 610598522 /nfs/dbraw/zinc/59/85/22/610598522.db2.gz DVGKVBSJDFGNPY-HNNXBMFYSA-N 1 2 340.387 0.915 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000941219008 610604571 /nfs/dbraw/zinc/60/45/71/610604571.db2.gz QFOFTAUSTRCGHS-LSDHHAIUSA-N 1 2 326.400 0.576 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@H]2CCCCN(C(=O)Cc3[nH]cc[nH+]3)C2)[nH]1 ZINC000943186325 610739699 /nfs/dbraw/zinc/73/96/99/610739699.db2.gz CPQYHTLGPJLKRW-ZDUSSCGKSA-N 1 2 340.387 0.963 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)c2ccn[nH]2)C1 ZINC000943338786 610808353 /nfs/dbraw/zinc/80/83/53/610808353.db2.gz ZASJSSRMDICCBD-HOCLYGCPSA-N 1 2 343.431 0.618 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)c2ccn[nH]2)C1 ZINC000943338786 610808356 /nfs/dbraw/zinc/80/83/56/610808356.db2.gz ZASJSSRMDICCBD-HOCLYGCPSA-N 1 2 343.431 0.618 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CCCN2C(=O)Cc2c[nH+]c[nH]2)c1 ZINC000944327046 610838620 /nfs/dbraw/zinc/83/86/20/610838620.db2.gz DKZKLUMTKBJRIX-CYBMUJFWSA-N 1 2 326.360 0.573 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC000945035997 610890593 /nfs/dbraw/zinc/89/05/93/610890593.db2.gz VQLLNYLHDOKZFR-CYBMUJFWSA-N 1 2 329.404 0.953 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC000945035997 610890594 /nfs/dbraw/zinc/89/05/94/610890594.db2.gz VQLLNYLHDOKZFR-CYBMUJFWSA-N 1 2 329.404 0.953 20 30 ECEDLO C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000945252199 610981908 /nfs/dbraw/zinc/98/19/08/610981908.db2.gz JQSHFLFVKQQRRM-FZMZJTMJSA-N 1 2 340.387 0.819 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC000945699754 611127935 /nfs/dbraw/zinc/12/79/35/611127935.db2.gz AVYSUYPJIWNPSD-INIZCTEOSA-N 1 2 343.431 0.157 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC000945699754 611127937 /nfs/dbraw/zinc/12/79/37/611127937.db2.gz AVYSUYPJIWNPSD-INIZCTEOSA-N 1 2 343.431 0.157 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2[C@@H](CCN2C(=O)Cn2cc[nH+]c2)C1 ZINC000945942615 611162765 /nfs/dbraw/zinc/16/27/65/611162765.db2.gz OHIOZJHLVQTAJA-HOTGVXAUSA-N 1 2 326.400 0.746 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NC1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000946512825 611294176 /nfs/dbraw/zinc/29/41/76/611294176.db2.gz YJILINUIGQLQFY-UHFFFAOYSA-N 1 2 340.387 0.583 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C3CCC(C(N)=O)CC3)CC2)C1 ZINC000949401506 611965759 /nfs/dbraw/zinc/96/57/59/611965759.db2.gz DXQUMEGTKGRSNM-UHFFFAOYSA-N 1 2 347.459 0.605 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C3CCC(C(N)=O)CC3)CC2)C1 ZINC000949401506 611965761 /nfs/dbraw/zinc/96/57/61/611965761.db2.gz DXQUMEGTKGRSNM-UHFFFAOYSA-N 1 2 347.459 0.605 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCC3(CC2)C[N@H+]([C@H](C)C(N)=O)CCO3)C1 ZINC000949466661 611990353 /nfs/dbraw/zinc/99/03/53/611990353.db2.gz PAOSWTUHNOPJMM-CQSZACIVSA-N 1 2 335.448 0.910 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCC3(CC2)C[N@@H+]([C@H](C)C(N)=O)CCO3)C1 ZINC000949466661 611990355 /nfs/dbraw/zinc/99/03/55/611990355.db2.gz PAOSWTUHNOPJMM-CQSZACIVSA-N 1 2 335.448 0.910 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)Cc3ccnc(OC)c3)CC2)C1 ZINC000949471341 611991696 /nfs/dbraw/zinc/99/16/96/611991696.db2.gz YKNIIMZXSNCZKR-UHFFFAOYSA-N 1 2 343.427 0.959 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)Cc3ccnc(OC)c3)CC2)C1 ZINC000949471341 611991699 /nfs/dbraw/zinc/99/16/99/611991699.db2.gz YKNIIMZXSNCZKR-UHFFFAOYSA-N 1 2 343.427 0.959 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC2(CC1)CN(CC#N)CCO2 ZINC000949474577 611993215 /nfs/dbraw/zinc/99/32/15/611993215.db2.gz ASSMCIWVCXEOBX-HUUCEWRRSA-N 1 2 343.431 0.741 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCC[C@H](C(N)=O)C3)CC2)C1 ZINC000949487139 612000389 /nfs/dbraw/zinc/00/03/89/612000389.db2.gz OEXAINZBOQKFGO-HOTGVXAUSA-N 1 2 347.459 0.605 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCC[C@H](C(N)=O)C3)CC2)C1 ZINC000949487139 612000392 /nfs/dbraw/zinc/00/03/92/612000392.db2.gz OEXAINZBOQKFGO-HOTGVXAUSA-N 1 2 347.459 0.605 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000949491792 612004275 /nfs/dbraw/zinc/00/42/75/612004275.db2.gz UDXWNBTUTRMHRA-HNNXBMFYSA-N 1 2 340.387 0.583 20 30 ECEDLO N#Cc1cc(C(=O)NCC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)c[nH]1 ZINC000949568668 612032942 /nfs/dbraw/zinc/03/29/42/612032942.db2.gz NQGOODOSZZJZCI-UHFFFAOYSA-N 1 2 340.387 0.821 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000952941126 612132484 /nfs/dbraw/zinc/13/24/84/612132484.db2.gz IBMGBFXNFWGFLF-GUYCJALGSA-N 1 2 329.404 0.953 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCN2C(=O)CCc2[nH]cc[nH+]2)c1 ZINC000952012401 612175685 /nfs/dbraw/zinc/17/56/85/612175685.db2.gz PYHGOKHUNVUPHN-HNNXBMFYSA-N 1 2 337.383 0.750 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CCN2C(=O)CCc2[nH]cc[nH+]2)c1 ZINC000952012402 612175739 /nfs/dbraw/zinc/17/57/39/612175739.db2.gz PYHGOKHUNVUPHN-OAHLLOKOSA-N 1 2 337.383 0.750 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000951416932 612218082 /nfs/dbraw/zinc/21/80/82/612218082.db2.gz UORBNDYDCAPHPR-BMFZPTHFSA-N 1 2 346.431 0.661 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000951459089 612248970 /nfs/dbraw/zinc/24/89/70/612248970.db2.gz QRHHXLOVALSQIY-OAGGEKHMSA-N 1 2 346.431 0.972 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cc1c[nH+]cn1C ZINC000952174874 612264566 /nfs/dbraw/zinc/26/45/66/612264566.db2.gz VPPWVPQWHWLDIO-YUELXQCFSA-N 1 2 332.404 0.271 20 30 ECEDLO CN(C(=O)Cc1cn2c([nH+]1)CCCC2)C1CN(C(=O)C#CC2CC2)C1 ZINC000954469734 612306662 /nfs/dbraw/zinc/30/66/62/612306662.db2.gz HIUBOTPYLSDAJQ-UHFFFAOYSA-N 1 2 340.427 0.845 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000953452699 612360275 /nfs/dbraw/zinc/36/02/75/612360275.db2.gz QCORFEZGRVLIGS-GDBMZVCRSA-N 1 2 326.400 0.815 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)C2CN(C(=O)CCc3[nH]cc[nH+]3)C2)c1 ZINC000955263953 612393277 /nfs/dbraw/zinc/39/32/77/612393277.db2.gz PEJUTBMWUWNJEC-UHFFFAOYSA-N 1 2 337.383 0.702 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@](C)(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000956791350 612548970 /nfs/dbraw/zinc/54/89/70/612548970.db2.gz AUCVMGBPVWBWKH-KSSFIOAISA-N 1 2 335.448 0.781 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@](C)(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000956791350 612548978 /nfs/dbraw/zinc/54/89/78/612548978.db2.gz AUCVMGBPVWBWKH-KSSFIOAISA-N 1 2 335.448 0.781 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000955631447 612719689 /nfs/dbraw/zinc/71/96/89/612719689.db2.gz PENYLPXNBJKXLM-DGCLKSJQSA-N 1 2 340.387 0.961 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000956254143 612802201 /nfs/dbraw/zinc/80/22/01/612802201.db2.gz DCHYSEHXXXYSII-ZNMIVQPWSA-N 1 2 332.404 0.651 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@H](C)OC)CC2)C1 ZINC000956582651 612917741 /nfs/dbraw/zinc/91/77/41/612917741.db2.gz DBNMPJVXCLTVED-GJZGRUSLSA-N 1 2 337.464 0.979 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)CC(F)(F)F)CC2)C1 ZINC000956585514 612919041 /nfs/dbraw/zinc/91/90/41/612919041.db2.gz BLRLYDAOXVIECP-NEPJUHHUSA-N 1 2 346.353 0.844 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)CC(F)(F)F)CC2)C1 ZINC000956585519 612919110 /nfs/dbraw/zinc/91/91/10/612919110.db2.gz BLRLYDAOXVIECP-RYUDHWBXSA-N 1 2 346.353 0.844 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)Cc3ccc[nH]3)CC2)C1 ZINC000956594092 612921484 /nfs/dbraw/zinc/92/14/84/612921484.db2.gz KYBZUZWXIPPBBQ-ZBFHGGJFSA-N 1 2 343.431 0.462 20 30 ECEDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncccc3C#N)C2)C1 ZINC001164718505 720215975 /nfs/dbraw/zinc/21/59/75/720215975.db2.gz MNUDMTBDIKZQGO-SFHVURJKSA-N 1 2 343.431 0.618 20 30 ECEDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncccc3C#N)C2)C1 ZINC001164718505 720215981 /nfs/dbraw/zinc/21/59/81/720215981.db2.gz 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C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC000969787730 732348775 /nfs/dbraw/zinc/34/87/75/732348775.db2.gz FVGNIISPRYOIGU-OLZOCXBDSA-N 1 2 343.855 0.670 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC000970048489 732673474 /nfs/dbraw/zinc/67/34/74/732673474.db2.gz UDXRZMWEUCXVLE-VIFPVBQESA-N 1 2 347.824 0.730 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2c[nH+]c[nH]2)nc1 ZINC000970150701 732995577 /nfs/dbraw/zinc/99/55/77/732995577.db2.gz XLXAKLSMKRSNPY-IYBDPMFKSA-N 1 2 349.394 0.844 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3nc(N(C)C)no3)C2)nc1 ZINC000970518145 733637999 /nfs/dbraw/zinc/63/79/99/733637999.db2.gz HJLOEODJUNBQAG-CYBMUJFWSA-N 1 2 340.387 0.516 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC000970567858 733681353 /nfs/dbraw/zinc/68/13/53/733681353.db2.gz VYIQONDANXEKOY-SBTGLGLWSA-N 1 2 340.811 0.164 20 30 ECEDLO C[C@@H](CNC(=O)CCc1[nH+]ccn1C)CNc1ccncc1C#N ZINC001104289786 733951628 /nfs/dbraw/zinc/95/16/28/733951628.db2.gz UNLUYWWYHMQTKX-CYBMUJFWSA-N 1 2 326.404 0.906 20 30 ECEDLO N#Cc1cncc(N2CCO[C@@H](CNC(=O)CCc3[nH]cc[nH+]3)C2)n1 ZINC001104308201 734197678 /nfs/dbraw/zinc/19/76/78/734197678.db2.gz DXPIOQPZZVRJBT-ZDUSSCGKSA-N 1 2 341.375 0.026 20 30 ECEDLO Cc1cc(N2CCO[C@H](CNC(=O)Cn3cc[nH+]c3)C2)c(C#N)cn1 ZINC001104321631 734296240 /nfs/dbraw/zinc/29/62/40/734296240.db2.gz JWUWILUNMYWBCD-OAHLLOKOSA-N 1 2 340.387 0.480 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001098551974 734558821 /nfs/dbraw/zinc/55/88/21/734558821.db2.gz RAKHQYBLRWIUIW-AWEZNQCLSA-N 1 2 346.435 0.546 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2cnn(C)c2)C1 ZINC000971703221 734964174 /nfs/dbraw/zinc/96/41/74/734964174.db2.gz AOAMPVRZAWWYAL-IRXDYDNUSA-N 1 2 329.448 0.550 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2cnn(C)c2)C1 ZINC000971703221 734964177 /nfs/dbraw/zinc/96/41/77/734964177.db2.gz AOAMPVRZAWWYAL-IRXDYDNUSA-N 1 2 329.448 0.550 20 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736105659 /nfs/dbraw/zinc/10/56/59/736105659.db2.gz NGIUGCNGGUNYPW-GOSISDBHSA-N 1 2 328.416 0.770 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3cc(OC)no3)C2)C1 ZINC000972400073 736126659 /nfs/dbraw/zinc/12/66/59/736126659.db2.gz RHGTXXAVDVVWDD-QGZVFWFLSA-N 1 2 333.388 0.552 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3cc(OC)no3)C2)C1 ZINC000972400073 736126663 /nfs/dbraw/zinc/12/66/63/736126663.db2.gz RHGTXXAVDVVWDD-QGZVFWFLSA-N 1 2 333.388 0.552 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3cc(C4CC4)nn3)C2)C1 ZINC000972411333 736145757 /nfs/dbraw/zinc/14/57/57/736145757.db2.gz YKMJIDIPODBRGP-QGZVFWFLSA-N 1 2 329.404 0.092 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3cc(C4CC4)nn3)C2)C1 ZINC000972411333 736145758 /nfs/dbraw/zinc/14/57/58/736145758.db2.gz YKMJIDIPODBRGP-QGZVFWFLSA-N 1 2 329.404 0.092 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N1CC[C@@]2(C1)CN(CC#N)CCO2 ZINC000972429175 736178456 /nfs/dbraw/zinc/17/84/56/736178456.db2.gz ZCDLKCTYOHIUJV-KRWDZBQOSA-N 1 2 330.388 0.460 20 30 ECEDLO 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/nfs/dbraw/zinc/25/88/61/736258861.db2.gz VXQRAOBDLBXKDF-KRWDZBQOSA-N 1 2 340.387 0.293 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccnc4n[nH]nc43)C2)C1 ZINC000972461631 736258862 /nfs/dbraw/zinc/25/88/62/736258862.db2.gz VXQRAOBDLBXKDF-KRWDZBQOSA-N 1 2 340.387 0.293 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1 ZINC000972476294 736294911 /nfs/dbraw/zinc/29/49/11/736294911.db2.gz WXRRYOFEKLSZBC-ORVJBUBXSA-N 1 2 330.428 0.736 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1 ZINC000972476294 736294916 /nfs/dbraw/zinc/29/49/16/736294916.db2.gz WXRRYOFEKLSZBC-ORVJBUBXSA-N 1 2 330.428 0.736 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3cn(CC)nn3)C2)C1 ZINC000972479612 736302909 /nfs/dbraw/zinc/30/29/09/736302909.db2.gz XCAYYGXRXDEPNJ-QGZVFWFLSA-N 1 2 331.420 0.167 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3cn(CC)nn3)C2)C1 ZINC000972479612 736302912 /nfs/dbraw/zinc/30/29/12/736302912.db2.gz XCAYYGXRXDEPNJ-QGZVFWFLSA-N 1 2 331.420 0.167 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc4c(c3)ncn4C)C2)C1 ZINC000972493843 736388939 /nfs/dbraw/zinc/38/89/39/736388939.db2.gz JSWBGIJEJRFWRR-GOSISDBHSA-N 1 2 339.399 0.518 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc4c(c3)ncn4C)C2)C1 ZINC000972493843 736388944 /nfs/dbraw/zinc/38/89/44/736388944.db2.gz JSWBGIJEJRFWRR-GOSISDBHSA-N 1 2 339.399 0.518 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)[nH]3)C2)C1 ZINC000972553464 736723428 /nfs/dbraw/zinc/72/34/28/736723428.db2.gz FWPNEWWRKYIGIN-QGZVFWFLSA-N 1 2 330.388 0.054 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)[nH]3)C2)C1 ZINC000972553464 736723431 /nfs/dbraw/zinc/72/34/31/736723431.db2.gz FWPNEWWRKYIGIN-QGZVFWFLSA-N 1 2 330.388 0.054 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC(=O)N(CCC)C3)C2)C1 ZINC000972574433 736892196 /nfs/dbraw/zinc/89/21/96/736892196.db2.gz ZXTRDYPMPOXLRM-LPHOPBHVSA-N 1 2 347.459 0.572 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC(=O)N(CCC)C3)C2)C1 ZINC000972574433 736892199 /nfs/dbraw/zinc/89/21/99/736892199.db2.gz ZXTRDYPMPOXLRM-LPHOPBHVSA-N 1 2 347.459 0.572 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3ncc4ccccc43)C2)C1 ZINC000972603172 737068950 /nfs/dbraw/zinc/06/89/50/737068950.db2.gz UEBBEPXGBQYTNL-LJQANCHMSA-N 1 2 338.411 0.973 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3ncc4ccccc43)C2)C1 ZINC000972603172 737068951 /nfs/dbraw/zinc/06/89/51/737068951.db2.gz UEBBEPXGBQYTNL-LJQANCHMSA-N 1 2 338.411 0.973 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC[C@H]3CC)C2)C1 ZINC000972628435 737154007 /nfs/dbraw/zinc/15/40/07/737154007.db2.gz RQZHOLRCAUTAFJ-APWZRJJASA-N 1 2 347.459 0.714 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC[C@H]3CC)C2)C1 ZINC000972628435 737154009 /nfs/dbraw/zinc/15/40/09/737154009.db2.gz RQZHOLRCAUTAFJ-APWZRJJASA-N 1 2 347.459 0.714 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ncnn3C)C2)nc1 ZINC001023709558 737228124 /nfs/dbraw/zinc/22/81/24/737228124.db2.gz WHFQOXOVXPPSKW-OAHLLOKOSA-N 1 2 338.415 0.833 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3ncnn3C)C2)nc1 ZINC001023709558 737228127 /nfs/dbraw/zinc/22/81/27/737228127.db2.gz WHFQOXOVXPPSKW-OAHLLOKOSA-N 1 2 338.415 0.833 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CN3CCCCCC3=O)C2)C1 ZINC000972668193 737306525 /nfs/dbraw/zinc/30/65/25/737306525.db2.gz VSYWBIILIQKDSX-LJQANCHMSA-N 1 2 347.459 0.716 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)CN3CCCCCC3=O)C2)C1 ZINC000972668193 737306527 /nfs/dbraw/zinc/30/65/27/737306527.db2.gz VSYWBIILIQKDSX-LJQANCHMSA-N 1 2 347.459 0.716 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3c(C)c(C)sc3=O)C2)C1 ZINC000972688335 737382347 /nfs/dbraw/zinc/38/23/47/737382347.db2.gz NYLJSTSGFGUKMY-KRWDZBQOSA-N 1 2 349.456 0.463 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3c(C)c(C)sc3=O)C2)C1 ZINC000972688335 737382352 /nfs/dbraw/zinc/38/23/52/737382352.db2.gz NYLJSTSGFGUKMY-KRWDZBQOSA-N 1 2 349.456 0.463 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCn3cc(C)cn3)C2)C1 ZINC000972694642 737403703 /nfs/dbraw/zinc/40/37/03/737403703.db2.gz OFICIAKOOLCGRA-SFHVURJKSA-N 1 2 330.432 0.908 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCn3cc(C)cn3)C2)C1 ZINC000972694642 737403704 /nfs/dbraw/zinc/40/37/04/737403704.db2.gz OFICIAKOOLCGRA-SFHVURJKSA-N 1 2 330.432 0.908 20 30 ECEDLO C#CCOc1ncccc1C(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NC ZINC001024766854 738278931 /nfs/dbraw/zinc/27/89/31/738278931.db2.gz WELAQEAABIXMTQ-AWEZNQCLSA-N 1 2 344.415 0.424 20 30 ECEDLO C#CCOc1ncccc1C(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC ZINC001024766854 738278938 /nfs/dbraw/zinc/27/89/38/738278938.db2.gz WELAQEAABIXMTQ-AWEZNQCLSA-N 1 2 344.415 0.424 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC001112011202 739346768 /nfs/dbraw/zinc/34/67/68/739346768.db2.gz DSKYKFWRJKSSJE-YCPHGPKFSA-N 1 2 326.462 0.661 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC001112011202 739346772 /nfs/dbraw/zinc/34/67/72/739346772.db2.gz DSKYKFWRJKSSJE-YCPHGPKFSA-N 1 2 326.462 0.661 20 30 ECEDLO C#CCOCCC(=O)N(C)[C@H](C)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001104678497 739460915 /nfs/dbraw/zinc/46/09/15/739460915.db2.gz UYJSVURUCOJTLK-CQSZACIVSA-N 1 2 345.447 0.763 20 30 ECEDLO C#CCOCCC(=O)N(C)[C@H](C)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001104678497 739460917 /nfs/dbraw/zinc/46/09/17/739460917.db2.gz UYJSVURUCOJTLK-CQSZACIVSA-N 1 2 345.447 0.763 20 30 ECEDLO C[C@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001104729855 739555958 /nfs/dbraw/zinc/55/59/58/739555958.db2.gz NCLKJJJHBMOYCP-OLZOCXBDSA-N 1 2 339.403 0.488 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001025568220 739724817 /nfs/dbraw/zinc/72/48/17/739724817.db2.gz RYVBXOPHLDDTMO-MRVWCRGKSA-N 1 2 346.431 0.730 20 30 ECEDLO CS(=O)(=O)N1CCC(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001207444606 739741201 /nfs/dbraw/zinc/74/12/01/739741201.db2.gz GBGQZPIPSOSKGP-ZDUSSCGKSA-N 1 2 330.475 0.932 20 30 ECEDLO CS(=O)(=O)N1CCC(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001207444606 739741204 /nfs/dbraw/zinc/74/12/04/739741204.db2.gz GBGQZPIPSOSKGP-ZDUSSCGKSA-N 1 2 330.475 0.932 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3ccnnc3)CC2)C1=O ZINC000982020625 751482305 /nfs/dbraw/zinc/48/23/05/751482305.db2.gz AKGYJZRIPXUVKZ-OAHLLOKOSA-N 1 2 329.404 0.411 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3ccnnc3)CC2)C1=O ZINC000982020625 751482310 /nfs/dbraw/zinc/48/23/10/751482310.db2.gz AKGYJZRIPXUVKZ-OAHLLOKOSA-N 1 2 329.404 0.411 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C=C(C)C)C2)nn1 ZINC001098604147 739896587 /nfs/dbraw/zinc/89/65/87/739896587.db2.gz IFCXJCUOOZVOIJ-MRXNPFEDSA-N 1 2 331.420 0.757 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)C=C(C)C)C2)nn1 ZINC001098604278 739917709 /nfs/dbraw/zinc/91/77/09/739917709.db2.gz LEIIUTICEXHBQM-HNNXBMFYSA-N 1 2 346.435 0.410 20 30 ECEDLO C#CCNC(=O)CC(=O)N[C@@H](CNc1cc[nH+]c(C)n1)C(C)(C)C ZINC001125866807 740458807 /nfs/dbraw/zinc/45/88/07/740458807.db2.gz CNVJYKKJADQGBW-ZDUSSCGKSA-N 1 2 331.420 0.867 20 30 ECEDLO CN(C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)c1cnc(C#N)cn1 ZINC001058691922 740516156 /nfs/dbraw/zinc/51/61/56/740516156.db2.gz JPIGWKBSVZUYSW-CQSZACIVSA-N 1 2 339.403 0.920 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3=COCCO3)C2)nn1 ZINC001098608039 740544308 /nfs/dbraw/zinc/54/43/08/740544308.db2.gz LKBZMKQTXNYORV-CQSZACIVSA-N 1 2 331.376 0.053 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3snnc3C)C2)nn1 ZINC001098608185 740559165 /nfs/dbraw/zinc/55/91/65/740559165.db2.gz PGVSOGWMRJPCNS-LBPRGKRZSA-N 1 2 331.405 0.248 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cnccn3)C2)C1=O ZINC001006617744 751575997 /nfs/dbraw/zinc/57/59/97/751575997.db2.gz YBCPFGVZCVRGHQ-UKRRQHHQSA-N 1 2 329.404 0.458 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cnccn3)C2)C1=O ZINC001006617744 751576001 /nfs/dbraw/zinc/57/60/01/751576001.db2.gz YBCPFGVZCVRGHQ-UKRRQHHQSA-N 1 2 329.404 0.458 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3cccc4nsnc43)[C@H]2C1 ZINC001083294807 741025312 /nfs/dbraw/zinc/02/53/12/741025312.db2.gz VTBAMTLJRXXEMJ-LSDHHAIUSA-N 1 2 342.424 0.779 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3cccc4nsnc43)[C@H]2C1 ZINC001083294807 741025318 /nfs/dbraw/zinc/02/53/18/741025318.db2.gz VTBAMTLJRXXEMJ-LSDHHAIUSA-N 1 2 342.424 0.779 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[N@@H+]([C@@H](C)C(=O)N(C)C)CC2)nn1 ZINC000982117633 751611158 /nfs/dbraw/zinc/61/11/58/751611158.db2.gz FOUALCCNYNFPDP-ZDUSSCGKSA-N 1 2 334.424 0.089 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[N@H+]([C@@H](C)C(=O)N(C)C)CC2)nn1 ZINC000982117633 751611162 /nfs/dbraw/zinc/61/11/62/751611162.db2.gz FOUALCCNYNFPDP-ZDUSSCGKSA-N 1 2 334.424 0.089 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[N@@H+]([C@H](C)C(=O)NC3CC3)CC2)nn1 ZINC000982118227 751611324 /nfs/dbraw/zinc/61/13/24/751611324.db2.gz ZRLZXNMPUKYGKT-CYBMUJFWSA-N 1 2 346.435 0.279 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[N@H+]([C@H](C)C(=O)NC3CC3)CC2)nn1 ZINC000982118227 751611328 /nfs/dbraw/zinc/61/13/28/751611328.db2.gz ZRLZXNMPUKYGKT-CYBMUJFWSA-N 1 2 346.435 0.279 20 30 ECEDLO C#CCNC(=O)CC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@@H](C)C1 ZINC001105039574 741222654 /nfs/dbraw/zinc/22/26/54/741222654.db2.gz DFRZRSOIQLFHIG-JSGCOSHPSA-N 1 2 329.404 0.573 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000974350172 741370455 /nfs/dbraw/zinc/37/04/55/741370455.db2.gz QMRVTCZQOIQNEE-IYBDPMFKSA-N 1 2 336.395 0.940 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(F)F)C2)nn1 ZINC001105130128 741399921 /nfs/dbraw/zinc/39/99/21/741399921.db2.gz FYYCINPTKZYPKG-UHFFFAOYSA-N 1 2 327.335 0.056 20 30 ECEDLO C=CCCC(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(=O)NCC=C)nn2)C1 ZINC001105185710 741449421 /nfs/dbraw/zinc/44/94/21/741449421.db2.gz SDTMYDVONXCXHO-ZDUSSCGKSA-N 1 2 346.435 0.408 20 30 ECEDLO C=CCCC(=O)N1CC(n2cc(C[NH2+]CC(=O)NC(C)C)nn2)C1 ZINC001105185394 741450919 /nfs/dbraw/zinc/45/09/19/741450919.db2.gz LPTUAVXNOWSCCI-UHFFFAOYSA-N 1 2 334.424 0.242 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CCCCO3)C2)nn1 ZINC001105207260 741473663 /nfs/dbraw/zinc/47/36/63/741473663.db2.gz KZZNYSSXWDCAES-MRXNPFEDSA-N 1 2 331.420 0.734 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(OC)no3)C2)nn1 ZINC001105216528 741488977 /nfs/dbraw/zinc/48/89/77/741488977.db2.gz VMFOXKUHFFAPJS-UHFFFAOYSA-N 1 2 330.348 0.085 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnnc(C)c3)C2)nn1 ZINC001105221608 741496333 /nfs/dbraw/zinc/49/63/33/741496333.db2.gz QWAHWAJMFRFRHP-UHFFFAOYSA-N 1 2 325.376 0.187 20 30 ECEDLO C#CCCCC(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105225030 741506264 /nfs/dbraw/zinc/50/62/64/741506264.db2.gz ICDFBJJZOLFDOQ-UHFFFAOYSA-N 1 2 329.404 0.204 20 30 ECEDLO CC[C@@H]([NH2+]Cc1cn(C2CN(C(=O)C#CC(C)(C)C)C2)nn1)C(N)=O ZINC001105238314 741533056 /nfs/dbraw/zinc/53/30/56/741533056.db2.gz VJPKQMPZUKYCBF-CQSZACIVSA-N 1 2 346.435 0.064 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3c(F)cncc3F)C2)nn1 ZINC001105249620 741558570 /nfs/dbraw/zinc/55/85/70/741558570.db2.gz YRWIPQLFKDTZCW-UHFFFAOYSA-N 1 2 346.341 0.761 20 30 ECEDLO C=C(C)CCC(=O)N1CC(n2cc(C[NH2+]CC(=O)N3CCC3)nn2)C1 ZINC001105252599 741562376 /nfs/dbraw/zinc/56/23/76/741562376.db2.gz ZBIPPLMWNUESHH-UHFFFAOYSA-N 1 2 346.435 0.340 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[C@H](CC)O3)C2)nn1 ZINC001105253845 741567466 /nfs/dbraw/zinc/56/74/66/741567466.db2.gz HKNAZPSZYPYYDW-JKSUJKDBSA-N 1 2 331.420 0.732 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)Cc1c[nH+]cn1C ZINC001058728046 741685191 /nfs/dbraw/zinc/68/51/91/741685191.db2.gz ITCWCGAAMBQODL-QGZVFWFLSA-N 1 2 336.436 0.502 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC3(C)C)C2)nn1 ZINC001105305688 741700601 /nfs/dbraw/zinc/70/06/01/741700601.db2.gz MFTIFFFIBXOQSW-MRXNPFEDSA-N 1 2 345.447 0.837 20 30 ECEDLO CCC(C)(C)C(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105313607 741739934 /nfs/dbraw/zinc/73/99/34/741739934.db2.gz FCYUFAKBKCCDPM-UHFFFAOYSA-N 1 2 333.436 0.837 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[C@H](OC)C3)C2)nn1 ZINC001105313599 741740020 /nfs/dbraw/zinc/74/00/20/741740020.db2.gz FCKJLFWXVGOIDV-PBHICJAKSA-N 1 2 345.447 0.980 20 30 ECEDLO C=C1CCC(C(=O)N2CC(n3cc(C[NH2+][C@@H](C)C(N)=O)nn3)C2)CC1 ZINC001105322185 741779003 /nfs/dbraw/zinc/77/90/03/741779003.db2.gz CRLFAEVFHZULRU-LBPRGKRZSA-N 1 2 346.435 0.371 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](CC(C)C)OC)C2)nn1 ZINC001105323660 741789306 /nfs/dbraw/zinc/78/93/06/741789306.db2.gz FTEIOPXXPPILPU-INIZCTEOSA-N 1 2 333.436 0.835 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCOCC(C)C)C2)nn1 ZINC001098622508 741854430 /nfs/dbraw/zinc/85/44/30/741854430.db2.gz KLALRDNHIPDAPD-INIZCTEOSA-N 1 2 333.436 0.837 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001006687088 751674402 /nfs/dbraw/zinc/67/44/02/751674402.db2.gz WREOVVHUGFUQSL-HNNXBMFYSA-N 1 2 325.376 0.326 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001006687088 751674405 /nfs/dbraw/zinc/67/44/05/751674405.db2.gz WREOVVHUGFUQSL-HNNXBMFYSA-N 1 2 325.376 0.326 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)nc1 ZINC000974669887 741976052 /nfs/dbraw/zinc/97/60/52/741976052.db2.gz VBQUMFUZZPYBAG-GDBMZVCRSA-N 1 2 349.394 0.702 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC(n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001105335195 742125574 /nfs/dbraw/zinc/12/55/74/742125574.db2.gz UNQJANGPPJVHBI-LLVKDONJSA-N 1 2 334.424 0.227 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)[C@H]2CCNC2=O)C(C)(C)C1 ZINC000974914856 742354734 /nfs/dbraw/zinc/35/47/34/742354734.db2.gz UOOWFQCKDOSZPR-QWRGUYRKSA-N 1 2 344.253 0.858 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)[C@H]2CCNC2=O)C(C)(C)C1 ZINC000974914856 742354727 /nfs/dbraw/zinc/35/47/27/742354727.db2.gz UOOWFQCKDOSZPR-QWRGUYRKSA-N 1 2 344.253 0.858 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[C@H](C)C3)C2)nn1 ZINC001105336316 742361572 /nfs/dbraw/zinc/36/15/72/742361572.db2.gz CIQORORCJHSZBM-LSDHHAIUSA-N 1 2 345.447 0.837 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(CC)nc3C)C2)nn1 ZINC001105337299 742458247 /nfs/dbraw/zinc/45/82/47/742458247.db2.gz YVZUOBFWGAWMOU-UHFFFAOYSA-N 1 2 327.392 0.223 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000975191284 742583497 /nfs/dbraw/zinc/58/34/97/742583497.db2.gz ZTXCKBBOWLEWQB-LBPRGKRZSA-N 1 2 340.387 0.821 20 30 ECEDLO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001087466935 743030870 /nfs/dbraw/zinc/03/08/70/743030870.db2.gz WMCFSRNTHKEONG-HUUCEWRRSA-N 1 2 342.378 0.570 20 30 ECEDLO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001087466935 743030877 /nfs/dbraw/zinc/03/08/77/743030877.db2.gz WMCFSRNTHKEONG-HUUCEWRRSA-N 1 2 342.378 0.570 20 30 ECEDLO COCCN(CCNC(=O)C#CC1CC1)c1[nH+]cnc2c1cnn2C ZINC001126337868 751811454 /nfs/dbraw/zinc/81/14/54/751811454.db2.gz LGKLZCLDCPCIHO-UHFFFAOYSA-N 1 2 342.403 0.346 20 30 ECEDLO Cn1[nH]c(C[N@H+](C)[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)nc1=O ZINC001027375833 744054996 /nfs/dbraw/zinc/05/49/96/744054996.db2.gz YVDIPMDJVKTJBL-ZDUSSCGKSA-N 1 2 343.391 0.045 20 30 ECEDLO Cn1[nH]c(C[N@@H+](C)[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)nc1=O ZINC001027375833 744054999 /nfs/dbraw/zinc/05/49/99/744054999.db2.gz YVDIPMDJVKTJBL-ZDUSSCGKSA-N 1 2 343.391 0.045 20 30 ECEDLO C=C1CC(C)(C(=O)N(CCO)CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001058771214 744067890 /nfs/dbraw/zinc/06/78/90/744067890.db2.gz VYPPWTWDQXRRJH-UHFFFAOYSA-N 1 2 334.420 0.554 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2nccc(C)n2)C1 ZINC000998922104 744407431 /nfs/dbraw/zinc/40/74/31/744407431.db2.gz FVNXPPPAPNYVJA-JCYILVPMSA-N 1 2 341.459 0.962 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2nccc(C)n2)C1 ZINC000998922104 744407432 /nfs/dbraw/zinc/40/74/32/744407432.db2.gz FVNXPPPAPNYVJA-JCYILVPMSA-N 1 2 341.459 0.962 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@H]32)cn1 ZINC000976911736 744487526 /nfs/dbraw/zinc/48/75/26/744487526.db2.gz KEMSVEMBLMYQMH-VQFNDLOPSA-N 1 2 349.394 0.226 20 30 ECEDLO C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)CS(=O)(=O)C2CCCC2)C1 ZINC001027463164 744594439 /nfs/dbraw/zinc/59/44/39/744594439.db2.gz SUKSDSUYAZUQIX-CQSZACIVSA-N 1 2 326.462 0.900 20 30 ECEDLO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)CS(=O)(=O)C2CCCC2)C1 ZINC001027463164 744594440 /nfs/dbraw/zinc/59/44/40/744594440.db2.gz SUKSDSUYAZUQIX-CQSZACIVSA-N 1 2 326.462 0.900 20 30 ECEDLO C#Cc1cncc(C(=O)NC2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)c1 ZINC000999319862 744624231 /nfs/dbraw/zinc/62/42/31/744624231.db2.gz MVJJNOWWRCCPDT-AWEZNQCLSA-N 1 2 349.394 0.463 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)c1 ZINC000999359928 744652251 /nfs/dbraw/zinc/65/22/51/744652251.db2.gz YQRRZXZRTRYTJU-GFCCVEGCSA-N 1 2 338.371 0.670 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cn(CC)nn2)C1 ZINC000999390708 744670915 /nfs/dbraw/zinc/67/09/15/744670915.db2.gz GYCCWIIJJZAHJY-WBVHZDCISA-N 1 2 344.463 0.476 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000977218513 744783929 /nfs/dbraw/zinc/78/39/29/744783929.db2.gz OZBAUWUQDZWAOB-BQVODAHPSA-N 1 2 327.388 0.256 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2C[N@@H+](Cc3ccnn3C)CC2(C)C)nn1 ZINC000977250462 744807666 /nfs/dbraw/zinc/80/76/66/744807666.db2.gz KVIQBVSXELJNAZ-HNNXBMFYSA-N 1 2 343.435 0.838 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2C[N@H+](Cc3ccnn3C)CC2(C)C)nn1 ZINC000977250462 744807668 /nfs/dbraw/zinc/80/76/68/744807668.db2.gz KVIQBVSXELJNAZ-HNNXBMFYSA-N 1 2 343.435 0.838 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2C[N@@H+](Cc3cnnn3C)CC2(C)C)nn1 ZINC000977252771 744816733 /nfs/dbraw/zinc/81/67/33/744816733.db2.gz QQPCCARQCHXODA-AWEZNQCLSA-N 1 2 344.423 0.233 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2C[N@H+](Cc3cnnn3C)CC2(C)C)nn1 ZINC000977252771 744816734 /nfs/dbraw/zinc/81/67/34/744816734.db2.gz QQPCCARQCHXODA-AWEZNQCLSA-N 1 2 344.423 0.233 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1C[N@@H+]([C@@H](C)C(N)=O)CC1(C)C ZINC000977442744 744994413 /nfs/dbraw/zinc/99/44/13/744994413.db2.gz XMYGCHVJLAKUMU-JSGCOSHPSA-N 1 2 346.431 0.960 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1C[N@H+]([C@@H](C)C(N)=O)CC1(C)C ZINC000977442744 744994416 /nfs/dbraw/zinc/99/44/16/744994416.db2.gz XMYGCHVJLAKUMU-JSGCOSHPSA-N 1 2 346.431 0.960 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+](Cc3cnnn3C)CC2(C)C)cn1 ZINC000977523852 745141579 /nfs/dbraw/zinc/14/15/79/745141579.db2.gz KWUNIVHKXXFRAH-INIZCTEOSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[N@H+](Cc3cnnn3C)CC2(C)C)cn1 ZINC000977523852 745141582 /nfs/dbraw/zinc/14/15/82/745141582.db2.gz KWUNIVHKXXFRAH-INIZCTEOSA-N 1 2 338.415 0.832 20 30 ECEDLO CN(C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(=O)c1c[nH]c(C#N)c1 ZINC000988387196 751976842 /nfs/dbraw/zinc/97/68/42/751976842.db2.gz BANMVUUYQAVIHC-GFCCVEGCSA-N 1 2 340.387 0.773 20 30 ECEDLO CN(C[C@@H]1CCN1C(=O)Cc1c[nH+]c[nH]1)C(=O)c1ccc(C#N)[nH]1 ZINC000977600449 745282558 /nfs/dbraw/zinc/28/25/58/745282558.db2.gz NPPHRIAQLKHGDZ-ZDUSSCGKSA-N 1 2 326.360 0.525 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cccc(C)n2)[C@H](OC)C1 ZINC001211859760 745290809 /nfs/dbraw/zinc/29/08/09/745290809.db2.gz PGFBAJLGBZLUCQ-FVQBIDKESA-N 1 2 346.431 0.510 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccc(C)n2)[C@H](OC)C1 ZINC001211859760 745290812 /nfs/dbraw/zinc/29/08/12/745290812.db2.gz PGFBAJLGBZLUCQ-FVQBIDKESA-N 1 2 346.431 0.510 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)ncn1 ZINC001083411539 745295301 /nfs/dbraw/zinc/29/53/01/745295301.db2.gz VIBCWMGLWFDRBT-SJORKVTESA-N 1 2 337.383 0.632 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)ncn1 ZINC001083411539 745295306 /nfs/dbraw/zinc/29/53/06/745295306.db2.gz VIBCWMGLWFDRBT-SJORKVTESA-N 1 2 337.383 0.632 20 30 ECEDLO C#CCCCCCC(=O)N1CC[C@@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098698486 745315244 /nfs/dbraw/zinc/31/52/44/745315244.db2.gz USVCSNUDAOZXAC-OAHLLOKOSA-N 1 2 346.435 0.210 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001029244468 745429207 /nfs/dbraw/zinc/42/92/07/745429207.db2.gz HUNTXOGRSAIONT-SYQHCUMBSA-N 1 2 325.434 0.256 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001029244468 745429209 /nfs/dbraw/zinc/42/92/09/745429209.db2.gz HUNTXOGRSAIONT-SYQHCUMBSA-N 1 2 325.434 0.256 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001029244467 745429447 /nfs/dbraw/zinc/42/94/47/745429447.db2.gz HUNTXOGRSAIONT-RQJABVFESA-N 1 2 325.434 0.256 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001029244467 745429448 /nfs/dbraw/zinc/42/94/48/745429448.db2.gz HUNTXOGRSAIONT-RQJABVFESA-N 1 2 325.434 0.256 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3nnc(C)o3)C2)nn1 ZINC001000401994 745477394 /nfs/dbraw/zinc/47/73/94/745477394.db2.gz HFNAYWVCMUFELG-GFCCVEGCSA-N 1 2 331.380 0.550 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)cn1 ZINC001083414653 745546802 /nfs/dbraw/zinc/54/68/02/745546802.db2.gz OGLFWGIOPYYDPT-CABCVRRESA-N 1 2 341.371 0.265 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)cn1 ZINC001083414653 745546809 /nfs/dbraw/zinc/54/68/09/745546809.db2.gz OGLFWGIOPYYDPT-CABCVRRESA-N 1 2 341.371 0.265 20 30 ECEDLO CS(=O)(=O)CC[N@H+]1CC=C(CNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001000564872 745600332 /nfs/dbraw/zinc/60/03/32/745600332.db2.gz WCDSNYPDSXFWLU-UHFFFAOYSA-N 1 2 336.417 0.293 20 30 ECEDLO CS(=O)(=O)CC[N@@H+]1CC=C(CNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001000564872 745600335 /nfs/dbraw/zinc/60/03/35/745600335.db2.gz WCDSNYPDSXFWLU-UHFFFAOYSA-N 1 2 336.417 0.293 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cc1ccn[nH]1 ZINC000977931089 745687805 /nfs/dbraw/zinc/68/78/05/745687805.db2.gz SXWRMLYGNUZARO-HOTGVXAUSA-N 1 2 343.431 0.109 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cc1ccn[nH]1 ZINC000977931089 745687808 /nfs/dbraw/zinc/68/78/08/745687808.db2.gz SXWRMLYGNUZARO-HOTGVXAUSA-N 1 2 343.431 0.109 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CCCOC)[C@H](OC)C2)C1=O ZINC001211935259 752046501 /nfs/dbraw/zinc/04/65/01/752046501.db2.gz PLZGJTMRUTYBDL-QLFBSQMISA-N 1 2 339.436 0.015 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CCCOC)[C@H](OC)C2)C1=O ZINC001211935259 752046510 /nfs/dbraw/zinc/04/65/10/752046510.db2.gz PLZGJTMRUTYBDL-QLFBSQMISA-N 1 2 339.436 0.015 20 30 ECEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001001217332 746170974 /nfs/dbraw/zinc/17/09/74/746170974.db2.gz WYUDKLHJTQVQLC-NSHDSACASA-N 1 2 326.784 0.085 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001001217332 746170975 /nfs/dbraw/zinc/17/09/75/746170975.db2.gz WYUDKLHJTQVQLC-NSHDSACASA-N 1 2 326.784 0.085 20 30 ECEDLO Cn1ncc(C[NH+]2CCC(CNC(=O)c3ccc(C#N)[nH]3)CC2)n1 ZINC001001319213 746275650 /nfs/dbraw/zinc/27/56/50/746275650.db2.gz BFCAJLCADNQGQH-UHFFFAOYSA-N 1 2 327.392 0.657 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@]3(F)CCOC3)C2)nn1 ZINC001098705939 746375678 /nfs/dbraw/zinc/37/56/78/746375678.db2.gz NKOQPQFBFPFZJU-GOEBONIOSA-N 1 2 335.383 0.293 20 30 ECEDLO N#Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)[nH]1 ZINC001001463078 746404124 /nfs/dbraw/zinc/40/41/24/746404124.db2.gz MYCGADBCBSYEEA-CHWSQXEVSA-N 1 2 338.371 0.601 20 30 ECEDLO N#Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)[nH]1 ZINC001001463078 746404126 /nfs/dbraw/zinc/40/41/26/746404126.db2.gz MYCGADBCBSYEEA-CHWSQXEVSA-N 1 2 338.371 0.601 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001001506739 746444846 /nfs/dbraw/zinc/44/48/46/746444846.db2.gz APHHZPQHBFGSSN-UHFFFAOYSA-N 1 2 326.360 0.349 20 30 ECEDLO CCCCn1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2C1 ZINC001087909244 746639702 /nfs/dbraw/zinc/63/97/02/746639702.db2.gz FOMAQVSQUAJWBV-KFWWJZLASA-N 1 2 345.451 0.913 20 30 ECEDLO CCCCn1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2C1 ZINC001087909244 746639704 /nfs/dbraw/zinc/63/97/04/746639704.db2.gz FOMAQVSQUAJWBV-KFWWJZLASA-N 1 2 345.451 0.913 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)OCC(C)C)[C@H](OC)C1 ZINC001211961827 752116481 /nfs/dbraw/zinc/11/64/81/752116481.db2.gz FRPMONGXKIHKOS-ARFHVFGLSA-N 1 2 326.437 0.513 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)OCC(C)C)[C@H](OC)C1 ZINC001211961827 752116487 /nfs/dbraw/zinc/11/64/87/752116487.db2.gz FRPMONGXKIHKOS-ARFHVFGLSA-N 1 2 326.437 0.513 20 30 ECEDLO N#Cc1nccc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)n1 ZINC001059404963 746685173 /nfs/dbraw/zinc/68/51/73/746685173.db2.gz GYGPYFKJKDNYER-IJLUTSLNSA-N 1 2 337.387 0.672 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H](C)C(=O)N(C)C)c1 ZINC001029466732 746699185 /nfs/dbraw/zinc/69/91/85/746699185.db2.gz KDOCTEKOWPTEQJ-XYPHTWIQSA-N 1 2 340.427 0.828 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)C(=O)N(C)C)c1 ZINC001029466732 746699187 /nfs/dbraw/zinc/69/91/87/746699187.db2.gz KDOCTEKOWPTEQJ-XYPHTWIQSA-N 1 2 340.427 0.828 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)nn1 ZINC001105340708 746744695 /nfs/dbraw/zinc/74/46/95/746744695.db2.gz MOJPPXVHYWAOSG-DLBZAZTESA-N 1 2 343.431 0.447 20 30 ECEDLO C=CCCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](CC)C(N)=O)nn1 ZINC001029508834 747202565 /nfs/dbraw/zinc/20/25/65/747202565.db2.gz QYKHXHKGCLOFFZ-GUTXKFCHSA-N 1 2 346.435 0.407 20 30 ECEDLO C=CCCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](CC)C(N)=O)nn1 ZINC001029508834 747202568 /nfs/dbraw/zinc/20/25/68/747202568.db2.gz QYKHXHKGCLOFFZ-GUTXKFCHSA-N 1 2 346.435 0.407 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cncnc3)C2)C1=O ZINC001007177076 752160681 /nfs/dbraw/zinc/16/06/81/752160681.db2.gz JVTGLEPKJKQVLN-HUUCEWRRSA-N 1 2 329.404 0.458 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cncnc3)C2)C1=O ZINC001007177076 752160685 /nfs/dbraw/zinc/16/06/85/752160685.db2.gz JVTGLEPKJKQVLN-HUUCEWRRSA-N 1 2 329.404 0.458 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[C@H](CCNC(=O)Cc3[nH]cc[nH+]3)C2)[nH]1 ZINC001059485550 747330760 /nfs/dbraw/zinc/33/07/60/747330760.db2.gz WUULTYSFIQFULI-LBPRGKRZSA-N 1 2 340.387 0.821 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H](CC)C(N)=O)cn1 ZINC001029558583 747499841 /nfs/dbraw/zinc/49/98/41/747499841.db2.gz MPHZYKJMHNHLSO-OWCLPIDISA-N 1 2 326.400 0.616 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](CC)C(N)=O)cn1 ZINC001029558583 747499847 /nfs/dbraw/zinc/49/98/47/747499847.db2.gz MPHZYKJMHNHLSO-OWCLPIDISA-N 1 2 326.400 0.616 20 30 ECEDLO C[C@@H]([NH2+]Cc1csnn1)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979280345 747505646 /nfs/dbraw/zinc/50/56/46/747505646.db2.gz VGJRZLPBJVFVNP-QMTHXVAHSA-N 1 2 346.416 0.757 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](CC)C(N)=O)nc1 ZINC001029558667 747510769 /nfs/dbraw/zinc/51/07/69/747510769.db2.gz PCDZNIPXLHXETG-LZWOXQAQSA-N 1 2 326.400 0.616 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](CC)C(N)=O)nc1 ZINC001029558667 747510772 /nfs/dbraw/zinc/51/07/72/747510772.db2.gz PCDZNIPXLHXETG-LZWOXQAQSA-N 1 2 326.400 0.616 20 30 ECEDLO Cc1nnc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)o1 ZINC000979287212 747539007 /nfs/dbraw/zinc/53/90/07/747539007.db2.gz DJSLMJRWWXAHPJ-IINYFYTJSA-N 1 2 344.375 0.597 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CCF)nn2)C1 ZINC001105342655 747585153 /nfs/dbraw/zinc/58/51/53/747585153.db2.gz PXTRAMARMPNXMF-GJZGRUSLSA-N 1 2 337.399 0.702 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](C)OCCC=C)C2)nn1 ZINC001098629642 747602245 /nfs/dbraw/zinc/60/22/45/747602245.db2.gz LHGNEBJKWKRTJR-GOEBONIOSA-N 1 2 331.420 0.756 20 30 ECEDLO Cn1nnnc1C[N@H+](C)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000985360188 747797787 /nfs/dbraw/zinc/79/77/87/747797787.db2.gz DBIDIBLCIMCPDM-UHFFFAOYSA-N 1 2 328.380 0.146 20 30 ECEDLO Cn1nnnc1C[N@@H+](C)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000985360188 747797793 /nfs/dbraw/zinc/79/77/93/747797793.db2.gz DBIDIBLCIMCPDM-UHFFFAOYSA-N 1 2 328.380 0.146 20 30 ECEDLO N#Cc1cc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c[nH]1 ZINC001002855789 747882984 /nfs/dbraw/zinc/88/29/84/747882984.db2.gz XEVAJQDHNODPBU-ZIAGYGMSSA-N 1 2 338.371 0.601 20 30 ECEDLO N#Cc1cc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c[nH]1 ZINC001002855789 747882993 /nfs/dbraw/zinc/88/29/93/747882993.db2.gz XEVAJQDHNODPBU-ZIAGYGMSSA-N 1 2 338.371 0.601 20 30 ECEDLO C#CCC1(C(=O)NCCN(CCO)C(=O)Cc2c[nH+]c[nH]2)CCC1 ZINC001058949249 752225457 /nfs/dbraw/zinc/22/54/57/752225457.db2.gz NKQZQCOYXLZPAM-UHFFFAOYSA-N 1 2 332.404 0.083 20 30 ECEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C)C2)CC1 ZINC001002956332 748007023 /nfs/dbraw/zinc/00/70/23/748007023.db2.gz WYGIMYVNBFWBDN-LLVKDONJSA-N 1 2 344.253 0.954 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3ncccn3)C2)nn1 ZINC001105344131 748279016 /nfs/dbraw/zinc/27/90/16/748279016.db2.gz OKFKIMUVGPQEQZ-UHFFFAOYSA-N 1 2 339.403 0.197 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000979852539 748555083 /nfs/dbraw/zinc/55/50/83/748555083.db2.gz DTQPZSGFBJDULU-HPZZRFSDSA-N 1 2 346.431 0.944 20 30 ECEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)C1CN(C(C)=O)C1 ZINC001027847480 748578034 /nfs/dbraw/zinc/57/80/34/748578034.db2.gz KWGBTCBHXTYLGW-CYBMUJFWSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CN(C(C)=O)C1 ZINC001027847480 748578037 /nfs/dbraw/zinc/57/80/37/748578037.db2.gz KWGBTCBHXTYLGW-CYBMUJFWSA-N 1 2 344.253 0.954 20 30 ECEDLO Cc1nc(N(C)C)nc(N[C@H]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)[nH+]1 ZINC001059593118 748678209 /nfs/dbraw/zinc/67/82/09/748678209.db2.gz YBTYRBMXXSTFGP-TXEJJXNPSA-N 1 2 340.391 0.819 20 30 ECEDLO CN(CCN(C)c1nccnc1C#N)C(=O)CCCn1cc[nH+]c1 ZINC001105417794 748680799 /nfs/dbraw/zinc/68/07/99/748680799.db2.gz PGLSVCQWIYDDOK-UHFFFAOYSA-N 1 2 327.392 0.920 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2)C3)c1 ZINC001003739990 748847394 /nfs/dbraw/zinc/84/73/94/748847394.db2.gz FUOFJZFHXABIJB-NFAWXSAZSA-N 1 2 338.371 0.645 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC001003779924 748886284 /nfs/dbraw/zinc/88/62/84/748886284.db2.gz MBTXWNUMKHJHEU-ZFWWWQNUSA-N 1 2 349.435 0.170 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C3CCCCC3)[C@@H](O)C2)C1=O ZINC001083316757 748940686 /nfs/dbraw/zinc/94/06/86/748940686.db2.gz RJFQFXHQYTXACE-PMPSAXMXSA-N 1 2 335.448 0.515 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C3CCCCC3)[C@@H](O)C2)C1=O ZINC001083316757 748940694 /nfs/dbraw/zinc/94/06/94/748940694.db2.gz RJFQFXHQYTXACE-PMPSAXMXSA-N 1 2 335.448 0.515 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001059645868 749091332 /nfs/dbraw/zinc/09/13/32/749091332.db2.gz JHABHEPDYQFSLK-CABCVRRESA-N 1 2 346.431 0.735 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001059647933 749103707 /nfs/dbraw/zinc/10/37/07/749103707.db2.gz JMXSMQMCYHBKME-MRXNPFEDSA-N 1 2 346.431 0.668 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000985824251 749176377 /nfs/dbraw/zinc/17/63/77/749176377.db2.gz FCGSOUQSGOYNDJ-UHFFFAOYSA-N 1 2 332.404 0.961 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccoc3)CC2)CC1 ZINC000985825800 749184000 /nfs/dbraw/zinc/18/40/00/749184000.db2.gz QTIKYBUJTNFABV-UHFFFAOYSA-N 1 2 332.404 0.961 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnoc3CC)C2)nn1 ZINC001098739404 749332378 /nfs/dbraw/zinc/33/23/78/749332378.db2.gz GGRWDKZSOSYADR-ZDUSSCGKSA-N 1 2 328.376 0.639 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001088461313 749478545 /nfs/dbraw/zinc/47/85/45/749478545.db2.gz AUDXUGJEJLYIJP-ABAIWWIYSA-N 1 2 343.366 0.463 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001088461313 749478549 /nfs/dbraw/zinc/47/85/49/749478549.db2.gz AUDXUGJEJLYIJP-ABAIWWIYSA-N 1 2 343.366 0.463 20 30 ECEDLO COCc1noc(C[NH2+][C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C)n1 ZINC000986188212 749646726 /nfs/dbraw/zinc/64/67/26/749646726.db2.gz UBXYTJOIXWWGOH-PWSUYJOCSA-N 1 2 344.375 0.809 20 30 ECEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2nc3ncccn3n2)CC1 ZINC001004578355 749652003 /nfs/dbraw/zinc/65/20/03/749652003.db2.gz VGUZAVPTIGGDQI-AWEZNQCLSA-N 1 2 339.403 0.964 20 30 ECEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2nc3ncccn3n2)CC1 ZINC001004578355 749652005 /nfs/dbraw/zinc/65/20/05/749652005.db2.gz VGUZAVPTIGGDQI-AWEZNQCLSA-N 1 2 339.403 0.964 20 30 ECEDLO COCCc1noc(C[NH2+][C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C)n1 ZINC000986276329 749744238 /nfs/dbraw/zinc/74/42/38/749744238.db2.gz HSUBZMGVSCCWFP-TZMCWYRMSA-N 1 2 332.404 0.751 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H](C)C#N)CC[C@@H]2C1 ZINC000986464800 749933353 /nfs/dbraw/zinc/93/33/53/749933353.db2.gz DBDKALJJVNJFNP-YUTCNCBUSA-N 1 2 329.404 0.727 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nc(C)no3)[C@H]2C)nn1 ZINC000987133949 750529475 /nfs/dbraw/zinc/52/94/75/750529475.db2.gz MGMTVTZHJNFKKF-PWSUYJOCSA-N 1 2 331.380 0.548 20 30 ECEDLO C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC000981395137 750659263 /nfs/dbraw/zinc/65/92/63/750659263.db2.gz JHJVXWKBTRMLFG-NEPJUHHUSA-N 1 2 330.392 0.274 20 30 ECEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001005905777 750783798 /nfs/dbraw/zinc/78/37/98/750783798.db2.gz KAQWPLHSCYHRGM-NSHDSACASA-N 1 2 345.241 0.499 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)C2CC[NH+](Cc3cn(C)nn3)CC2)c1 ZINC001005968791 750864886 /nfs/dbraw/zinc/86/48/86/750864886.db2.gz SHDXZCSSCWGHND-UHFFFAOYSA-N 1 2 338.415 0.928 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001028109001 750893472 /nfs/dbraw/zinc/89/34/72/750893472.db2.gz BVTIDKCNNWIYEP-HUUCEWRRSA-N 1 2 345.378 0.459 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001028109001 750893477 /nfs/dbraw/zinc/89/34/77/750893477.db2.gz BVTIDKCNNWIYEP-HUUCEWRRSA-N 1 2 345.378 0.459 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000987546223 750943812 /nfs/dbraw/zinc/94/38/12/750943812.db2.gz FHTSZPANUQAQSG-RISCZKNCSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000987546223 750943814 /nfs/dbraw/zinc/94/38/14/750943814.db2.gz FHTSZPANUQAQSG-RISCZKNCSA-N 1 2 340.387 0.961 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCO[C@@H](CC)C3)C2)nn1 ZINC001105357675 750944841 /nfs/dbraw/zinc/94/48/41/750944841.db2.gz JLBZNDIOKWNLRU-CJNGLKHVSA-N 1 2 331.420 0.589 20 30 ECEDLO C=CCn1cc(C(=O)N(C)C2CC[NH+](Cc3ncccn3)CC2)nn1 ZINC001006104504 751019451 /nfs/dbraw/zinc/01/94/51/751019451.db2.gz PTACQFNFIKVJSJ-UHFFFAOYSA-N 1 2 341.419 0.991 20 30 ECEDLO CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCCS3(=O)=O)C2)C1 ZINC000981808269 751127960 /nfs/dbraw/zinc/12/79/60/751127960.db2.gz KNLKPJZXJKGCRA-HNNXBMFYSA-N 1 2 338.473 0.901 20 30 ECEDLO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCCS3(=O)=O)C2)C1 ZINC000981808269 751127961 /nfs/dbraw/zinc/12/79/61/751127961.db2.gz KNLKPJZXJKGCRA-HNNXBMFYSA-N 1 2 338.473 0.901 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001059830757 751166610 /nfs/dbraw/zinc/16/66/10/751166610.db2.gz IRCSLXXPSSTEID-CQSZACIVSA-N 1 2 334.420 0.900 20 30 ECEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CNC(=O)N3)CC2)ccc1F ZINC000981850392 751189281 /nfs/dbraw/zinc/18/92/81/751189281.db2.gz GPRGETHGOXKXMB-HNNXBMFYSA-N 1 2 345.378 0.413 20 30 ECEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CNC(=O)N3)CC2)ccc1F ZINC000981850392 751189282 /nfs/dbraw/zinc/18/92/82/751189282.db2.gz GPRGETHGOXKXMB-HNNXBMFYSA-N 1 2 345.378 0.413 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CCO[C@@H](CC)C3)C2)nn1 ZINC001105358344 751195823 /nfs/dbraw/zinc/19/58/23/751195823.db2.gz XJKCQIQCPPPKLO-YOEHRIQHSA-N 1 2 345.447 0.980 20 30 ECEDLO NC(=O)C1(C(=O)N2CCC[N@H+](CC#Cc3ccc(F)cc3)CC2)CC1 ZINC000981865315 751217362 /nfs/dbraw/zinc/21/73/62/751217362.db2.gz UQKMULUZCHOONK-UHFFFAOYSA-N 1 2 343.402 0.977 20 30 ECEDLO NC(=O)C1(C(=O)N2CCC[N@@H+](CC#Cc3ccc(F)cc3)CC2)CC1 ZINC000981865315 751217365 /nfs/dbraw/zinc/21/73/65/751217365.db2.gz UQKMULUZCHOONK-UHFFFAOYSA-N 1 2 343.402 0.977 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H](C)n3cccc3)C2)nn1 ZINC001105362589 752306300 /nfs/dbraw/zinc/30/63/00/752306300.db2.gz FUEDMZSXICCWSN-AWEZNQCLSA-N 1 2 326.404 0.837 20 30 ECEDLO CO[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212039790 752432770 /nfs/dbraw/zinc/43/27/70/752432770.db2.gz TYHHBNBZPCWRBD-RRFJBIMHSA-N 1 2 336.436 0.364 20 30 ECEDLO CO[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212039790 752432773 /nfs/dbraw/zinc/43/27/73/752432773.db2.gz TYHHBNBZPCWRBD-RRFJBIMHSA-N 1 2 336.436 0.364 20 30 ECEDLO CO[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212041656 752435361 /nfs/dbraw/zinc/43/53/61/752435361.db2.gz WZYXPXFFVDRNPW-CYZMBNFOSA-N 1 2 325.800 0.512 20 30 ECEDLO CO[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212041656 752435365 /nfs/dbraw/zinc/43/53/65/752435365.db2.gz WZYXPXFFVDRNPW-CYZMBNFOSA-N 1 2 325.800 0.512 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000938028099 752671601 /nfs/dbraw/zinc/67/16/01/752671601.db2.gz HALWYAHNJGHQFN-QRTARXTBSA-N 1 2 346.431 0.661 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N[C@H]1CCN(C(=O)[C@H](C)C#N)[C@@H]1C ZINC000988749855 752678255 /nfs/dbraw/zinc/67/82/55/752678255.db2.gz BECPSHPSWXYCPO-BZPMIXESSA-N 1 2 330.388 0.898 20 30 ECEDLO C=CCOCCCC(=O)N[C@@H]1C[N@@H+](Cc2cncn2C)C[C@H]1OC ZINC001212092885 752714341 /nfs/dbraw/zinc/71/43/41/752714341.db2.gz VLQJGWUFYGTHDH-HZPDHXFCSA-N 1 2 336.436 0.718 20 30 ECEDLO C=CCOCCCC(=O)N[C@@H]1C[N@H+](Cc2cncn2C)C[C@H]1OC ZINC001212092885 752714349 /nfs/dbraw/zinc/71/43/49/752714349.db2.gz VLQJGWUFYGTHDH-HZPDHXFCSA-N 1 2 336.436 0.718 20 30 ECEDLO CCn1ncnc1C[N@@H+]1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028470884 752772463 /nfs/dbraw/zinc/77/24/63/752772463.db2.gz OMKPEKHJBYUTBF-LBPRGKRZSA-N 1 2 327.392 0.750 20 30 ECEDLO CCn1ncnc1C[N@H+]1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028470884 752772465 /nfs/dbraw/zinc/77/24/65/752772465.db2.gz OMKPEKHJBYUTBF-LBPRGKRZSA-N 1 2 327.392 0.750 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCO[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001007685404 752787324 /nfs/dbraw/zinc/78/73/24/752787324.db2.gz QXRSOWIFXJZSCC-YOEHRIQHSA-N 1 2 345.403 0.263 20 30 ECEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H](C)NC(C)=O ZINC001211814052 752938473 /nfs/dbraw/zinc/93/84/73/752938473.db2.gz QPIFGSPBROTYCP-ZTFGCOKTSA-N 1 2 343.427 0.378 20 30 ECEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H](C)NC(C)=O ZINC001211814052 752938477 /nfs/dbraw/zinc/93/84/77/752938477.db2.gz QPIFGSPBROTYCP-ZTFGCOKTSA-N 1 2 343.427 0.378 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3ccnnc3C)C2)C1=O ZINC001007813836 752955552 /nfs/dbraw/zinc/95/55/52/752955552.db2.gz QCXVHBPYUTYGKR-GDBMZVCRSA-N 1 2 343.431 0.766 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3ccnnc3C)C2)C1=O ZINC001007813836 752955555 /nfs/dbraw/zinc/95/55/55/752955555.db2.gz QCXVHBPYUTYGKR-GDBMZVCRSA-N 1 2 343.431 0.766 20 30 ECEDLO CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001008021102 753204794 /nfs/dbraw/zinc/20/47/94/753204794.db2.gz KYLUCYQCLXCRCU-AWEZNQCLSA-N 1 2 340.387 0.750 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000938131164 753385749 /nfs/dbraw/zinc/38/57/49/753385749.db2.gz LYNZOXVHSZBZBP-AWEZNQCLSA-N 1 2 327.388 0.902 20 30 ECEDLO C=C(C)CCC(=O)N1CC[C@H](n2cc(C[NH2+]CC(=O)NCC)nn2)C1 ZINC001098681134 753613102 /nfs/dbraw/zinc/61/31/02/753613102.db2.gz OMAJNLGAAXOURE-HNNXBMFYSA-N 1 2 348.451 0.634 20 30 ECEDLO C[C@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)n1cccn1 ZINC001083350733 753642114 /nfs/dbraw/zinc/64/21/14/753642114.db2.gz ZKAMDSIVNUUBCM-NXHRZFHOSA-N 1 2 338.411 0.657 20 30 ECEDLO C[C@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)n1cccn1 ZINC001083350733 753642117 /nfs/dbraw/zinc/64/21/17/753642117.db2.gz ZKAMDSIVNUUBCM-NXHRZFHOSA-N 1 2 338.411 0.657 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnc(C4CC4)o3)C2)nn1 ZINC001098683037 753692081 /nfs/dbraw/zinc/69/20/81/753692081.db2.gz OBUUNYDUHVVAMG-AWEZNQCLSA-N 1 2 340.387 0.954 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccnc(C)n3)C2)nn1 ZINC001105374380 753752241 /nfs/dbraw/zinc/75/22/41/753752241.db2.gz XODPLNQQQLZCGS-UHFFFAOYSA-N 1 2 325.376 0.187 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c(F)c1 ZINC001008560944 753915079 /nfs/dbraw/zinc/91/50/79/753915079.db2.gz UKZXHMUHUSBQQJ-KFWWJZLASA-N 1 2 344.390 0.899 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c(F)c1 ZINC001008560944 753915083 /nfs/dbraw/zinc/91/50/83/753915083.db2.gz UKZXHMUHUSBQQJ-KFWWJZLASA-N 1 2 344.390 0.899 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001014100969 762249185 /nfs/dbraw/zinc/24/91/85/762249185.db2.gz SHWCLVKZAXUEFW-GWCFXTLKSA-N 1 2 326.360 0.571 20 30 ECEDLO C[C@@H](CCNC(=O)CSCC#N)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001075677989 754014593 /nfs/dbraw/zinc/01/45/93/754014593.db2.gz HZYKDDFZVRFDOT-RYUDHWBXSA-N 1 2 337.449 0.856 20 30 ECEDLO C[C@@H](CCNC(=O)CSCC#N)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001075677989 754014599 /nfs/dbraw/zinc/01/45/99/754014599.db2.gz HZYKDDFZVRFDOT-RYUDHWBXSA-N 1 2 337.449 0.856 20 30 ECEDLO O=C([C@@H]1CCC(=O)N1)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000989517391 754068758 /nfs/dbraw/zinc/06/87/58/754068758.db2.gz YNVZFHGUFUDUIT-KRWDZBQOSA-N 1 2 325.412 0.851 20 30 ECEDLO O=C([C@@H]1CCC(=O)N1)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000989517391 754068759 /nfs/dbraw/zinc/06/87/59/754068759.db2.gz YNVZFHGUFUDUIT-KRWDZBQOSA-N 1 2 325.412 0.851 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3nc(CC)no3)C[C@H]2C)nn1 ZINC000989537116 754081320 /nfs/dbraw/zinc/08/13/20/754081320.db2.gz RPFKTLPBNUETTC-NEPJUHHUSA-N 1 2 345.407 0.802 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CCO[C@H](C[NH2+]Cc3csnn3)C2)c1 ZINC001051523918 762274025 /nfs/dbraw/zinc/27/40/25/762274025.db2.gz MSGRDHOTYXAHPB-GFCCVEGCSA-N 1 2 332.389 0.369 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](Nc2ccc(C#N)nn2)C1 ZINC001059070524 754218381 /nfs/dbraw/zinc/21/83/81/754218381.db2.gz KNEVKQJAOZGDIM-BFHYXJOUSA-N 1 2 337.387 0.898 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3ncccn3)C2)C1=O ZINC001008956681 754357045 /nfs/dbraw/zinc/35/70/45/754357045.db2.gz OUYGDVXOQBHKRP-ZIAGYGMSSA-N 1 2 329.404 0.458 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3ncccn3)C2)C1=O ZINC001008956681 754357051 /nfs/dbraw/zinc/35/70/51/754357051.db2.gz OUYGDVXOQBHKRP-ZIAGYGMSSA-N 1 2 329.404 0.458 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3nocc3C)C2)C1=O ZINC001009104938 754541166 /nfs/dbraw/zinc/54/11/66/754541166.db2.gz AYPIYCZRQZPTHR-KGLIPLIRSA-N 1 2 332.404 0.964 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3nocc3C)C2)C1=O ZINC001009104938 754541169 /nfs/dbraw/zinc/54/11/69/754541169.db2.gz AYPIYCZRQZPTHR-KGLIPLIRSA-N 1 2 332.404 0.964 20 30 ECEDLO N#CCSCC(=O)NCC[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001060001938 754558820 /nfs/dbraw/zinc/55/88/20/754558820.db2.gz JTBMOUJQCDFBEV-CQSZACIVSA-N 1 2 349.460 0.885 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@H](C)C(=O)NC3CC3)C2)nc1 ZINC001009268456 754724642 /nfs/dbraw/zinc/72/46/42/754724642.db2.gz JGEGLDHRJZEXNV-CJNGLKHVSA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@H](C)C(=O)NC3CC3)C2)nc1 ZINC001009268456 754724643 /nfs/dbraw/zinc/72/46/43/754724643.db2.gz JGEGLDHRJZEXNV-CJNGLKHVSA-N 1 2 340.427 0.924 20 30 ECEDLO C[C@H]([NH2+]C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1)c1csnn1 ZINC001051554389 762328302 /nfs/dbraw/zinc/32/83/02/762328302.db2.gz DMHGXAKSFQMFSN-JQWIXIFHSA-N 1 2 346.416 0.930 20 30 ECEDLO Cc1nnc([C@H](C)[NH2+]C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)o1 ZINC001051554402 762328412 /nfs/dbraw/zinc/32/84/12/762328412.db2.gz DWBGEZOOLRWQOK-GWCFXTLKSA-N 1 2 344.375 0.770 20 30 ECEDLO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)o1 ZINC001051563427 762347088 /nfs/dbraw/zinc/34/70/88/762347088.db2.gz RZCCTJSBGUPOQK-ZDUSSCGKSA-N 1 2 330.348 0.209 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@@H]1O ZINC001083469148 755254497 /nfs/dbraw/zinc/25/44/97/755254497.db2.gz ILNTZJLEEYTHBE-WCVJEAGWSA-N 1 2 335.404 0.626 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@@H]1O ZINC001083469148 755254504 /nfs/dbraw/zinc/25/45/04/755254504.db2.gz ILNTZJLEEYTHBE-WCVJEAGWSA-N 1 2 335.404 0.626 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](CCNC(=O)CSCC#N)C1 ZINC001060039171 755272591 /nfs/dbraw/zinc/27/25/91/755272591.db2.gz AMKAJUVTRWCYRW-ZDUSSCGKSA-N 1 2 349.460 0.872 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+]([C@H](C)c3nncn3C)C2)nn1 ZINC001028852505 755310777 /nfs/dbraw/zinc/31/07/77/755310777.db2.gz KCRYYFGMVOZDIP-CHWSQXEVSA-N 1 2 344.423 0.406 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+]([C@H](C)c3nncn3C)C2)nn1 ZINC001028852505 755310781 /nfs/dbraw/zinc/31/07/81/755310781.db2.gz KCRYYFGMVOZDIP-CHWSQXEVSA-N 1 2 344.423 0.406 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)C[C@@H]1O ZINC001083470931 755323206 /nfs/dbraw/zinc/32/32/06/755323206.db2.gz VXLPKNWCFAAZIA-WCVJEAGWSA-N 1 2 334.420 0.063 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@@H]1O ZINC001083470931 755323212 /nfs/dbraw/zinc/32/32/12/755323212.db2.gz VXLPKNWCFAAZIA-WCVJEAGWSA-N 1 2 334.420 0.063 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3cnns3)C2)nn1 ZINC001028858398 755324736 /nfs/dbraw/zinc/32/47/36/755324736.db2.gz QEQZVMQAMZWBSK-LBPRGKRZSA-N 1 2 347.448 0.958 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3cnns3)C2)nn1 ZINC001028858398 755324742 /nfs/dbraw/zinc/32/47/42/755324742.db2.gz QEQZVMQAMZWBSK-LBPRGKRZSA-N 1 2 347.448 0.958 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@@H]3CCCCO3)C2)nn1 ZINC001098654025 755455777 /nfs/dbraw/zinc/45/57/77/755455777.db2.gz ZNLKKXZISUSHKI-CVEARBPZSA-N 1 2 331.420 0.734 20 30 ECEDLO N#Cc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@]34C[C@H]3COC4)[C@@H](O)C2)ccc1F ZINC001083475299 755598546 /nfs/dbraw/zinc/59/85/46/755598546.db2.gz DPQVJNBMHPZXRE-DNMXQMFDSA-N 1 2 345.374 0.395 20 30 ECEDLO N#Cc1cc(C[N@H+]2C[C@@H](NC(=O)[C@]34C[C@H]3COC4)[C@@H](O)C2)ccc1F ZINC001083475299 755598551 /nfs/dbraw/zinc/59/85/51/755598551.db2.gz DPQVJNBMHPZXRE-DNMXQMFDSA-N 1 2 345.374 0.395 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(Cn3cccn3)o2)[C@@H](O)C1 ZINC001083480885 755620058 /nfs/dbraw/zinc/62/00/58/755620058.db2.gz HGHQBOCTSKZMBH-CABCVRRESA-N 1 2 328.372 0.323 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(Cn3cccn3)o2)[C@@H](O)C1 ZINC001083480885 755620061 /nfs/dbraw/zinc/62/00/61/755620061.db2.gz HGHQBOCTSKZMBH-CABCVRRESA-N 1 2 328.372 0.323 20 30 ECEDLO O=C(Cn1cnnn1)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010108157 755658123 /nfs/dbraw/zinc/65/81/23/755658123.db2.gz QRZDIFWTLRWFHW-HNNXBMFYSA-N 1 2 328.351 0.054 20 30 ECEDLO O=C(Cn1cnnn1)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010108157 755658124 /nfs/dbraw/zinc/65/81/24/755658124.db2.gz QRZDIFWTLRWFHW-HNNXBMFYSA-N 1 2 328.351 0.054 20 30 ECEDLO C[C@@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001060101975 756136632 /nfs/dbraw/zinc/13/66/32/756136632.db2.gz LHZRNVIGXUCVEH-KBPBESRZSA-N 1 2 331.420 0.867 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)C2)c1 ZINC001010468018 756159978 /nfs/dbraw/zinc/15/99/78/756159978.db2.gz FNAYTMHSNZPKIH-AAEUAGOBSA-N 1 2 336.417 0.125 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C2)c1 ZINC001010468018 756159980 /nfs/dbraw/zinc/15/99/80/756159980.db2.gz FNAYTMHSNZPKIH-AAEUAGOBSA-N 1 2 336.417 0.125 20 30 ECEDLO O=C(C#CC1CC1)N1CCO[C@H](C[NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001051612784 762469990 /nfs/dbraw/zinc/46/99/90/762469990.db2.gz UIHNWBKTSJOGJS-CQSZACIVSA-N 1 2 330.388 0.677 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCCN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001010832050 756579234 /nfs/dbraw/zinc/57/92/34/756579234.db2.gz XVBDZYHFMZSAFF-AWEZNQCLSA-N 1 2 343.431 0.963 20 30 ECEDLO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)n1 ZINC001010873000 756624717 /nfs/dbraw/zinc/62/47/17/756624717.db2.gz AZRRWVFSWIPKKO-CYBMUJFWSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)n1 ZINC001010873000 756624721 /nfs/dbraw/zinc/62/47/21/756624721.db2.gz AZRRWVFSWIPKKO-CYBMUJFWSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)n1 ZINC001010878041 756635105 /nfs/dbraw/zinc/63/51/05/756635105.db2.gz QVZGYNOIZZHBHE-CYBMUJFWSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)n1 ZINC001010878041 756635107 /nfs/dbraw/zinc/63/51/07/756635107.db2.gz QVZGYNOIZZHBHE-CYBMUJFWSA-N 1 2 328.351 0.830 20 30 ECEDLO N#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)[nH]1 ZINC000990893899 756723052 /nfs/dbraw/zinc/72/30/52/756723052.db2.gz VHIGQFUBUATHAQ-LLVKDONJSA-N 1 2 338.371 0.286 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@]2(C)CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC001011003815 756752305 /nfs/dbraw/zinc/75/23/05/756752305.db2.gz SGAHZPDDDHRLQM-AFAVFJNCSA-N 1 2 329.404 0.809 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1O)C1CCOCC1 ZINC001076667905 756807555 /nfs/dbraw/zinc/80/75/55/756807555.db2.gz QEBMDZWCYKWMNE-QZTJIDSGSA-N 1 2 346.402 0.765 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1O)C1CCOCC1 ZINC001076667905 756807563 /nfs/dbraw/zinc/80/75/63/756807563.db2.gz QEBMDZWCYKWMNE-QZTJIDSGSA-N 1 2 346.402 0.765 20 30 ECEDLO C[C@@H](C#N)C(=O)NCc1cn(C2C[NH+](CCOCC3CCC3)C2)nn1 ZINC001107149885 757053972 /nfs/dbraw/zinc/05/39/72/757053972.db2.gz ULWBFQJVNZVKFO-ZDUSSCGKSA-N 1 2 346.435 0.727 20 30 ECEDLO COCCc1noc(C[N@H+]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)n1 ZINC001048810019 757068100 /nfs/dbraw/zinc/06/81/00/757068100.db2.gz DWFYBRWUHWYAGF-GASCZTMLSA-N 1 2 344.415 0.562 20 30 ECEDLO COCCc1noc(C[N@@H+]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)n1 ZINC001048810019 757068109 /nfs/dbraw/zinc/06/81/09/757068109.db2.gz DWFYBRWUHWYAGF-GASCZTMLSA-N 1 2 344.415 0.562 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)C3CC3)nn2)C1 ZINC001107153969 757119112 /nfs/dbraw/zinc/11/91/12/757119112.db2.gz RRNCHBUAPFGXBI-ZDUSSCGKSA-N 1 2 333.436 1.000 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCOC3)C2)cc1F ZINC001076794293 757193863 /nfs/dbraw/zinc/19/38/63/757193863.db2.gz WZKLOCBUSULULY-DJIMGWMZSA-N 1 2 347.390 0.785 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCOC3)C2)cc1F ZINC001076794293 757193873 /nfs/dbraw/zinc/19/38/73/757193873.db2.gz WZKLOCBUSULULY-DJIMGWMZSA-N 1 2 347.390 0.785 20 30 ECEDLO O=C(C#CC1CC1)NCc1cn(C2C[NH+](CCOCC3CC3)C2)nn1 ZINC001107171304 757218879 /nfs/dbraw/zinc/21/88/79/757218879.db2.gz RPEVHLSTTQLTGI-UHFFFAOYSA-N 1 2 343.431 0.591 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H](C)NC(=O)CC)nn2)C1 ZINC001107174699 757289255 /nfs/dbraw/zinc/28/92/55/757289255.db2.gz XRDLFEJVRLXFPF-LBPRGKRZSA-N 1 2 334.424 0.242 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)COc3cc(C)on3)nn2)C1 ZINC001107180531 757300387 /nfs/dbraw/zinc/30/03/87/757300387.db2.gz XHQSODYQOVEGAU-UHFFFAOYSA-N 1 2 344.375 0.150 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C[C@@H]3CCOC[C@@H]3OC)nn2)C1 ZINC001107178103 757330572 /nfs/dbraw/zinc/33/05/72/757330572.db2.gz HMOQTDGLNYLXNU-BBRMVZONSA-N 1 2 349.435 0.379 20 30 ECEDLO Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)sn1 ZINC001076855955 757400137 /nfs/dbraw/zinc/40/01/37/757400137.db2.gz UMYNLTIXIOXXGL-ZIAGYGMSSA-N 1 2 331.401 0.626 20 30 ECEDLO Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)sn1 ZINC001076855955 757400147 /nfs/dbraw/zinc/40/01/47/757400147.db2.gz UMYNLTIXIOXXGL-ZIAGYGMSSA-N 1 2 331.401 0.626 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C(=O)Nc3ccccc3)nn2)C1 ZINC001107184665 757416756 /nfs/dbraw/zinc/41/67/56/757416756.db2.gz PRNSEEFIRUGXAC-UHFFFAOYSA-N 1 2 340.387 0.576 20 30 ECEDLO Cc1ncsc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076898343 757516915 /nfs/dbraw/zinc/51/69/15/757516915.db2.gz DSHGATOHCMPBCD-CHWSQXEVSA-N 1 2 331.401 0.626 20 30 ECEDLO Cc1ncsc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076898343 757516920 /nfs/dbraw/zinc/51/69/20/757516920.db2.gz DSHGATOHCMPBCD-CHWSQXEVSA-N 1 2 331.401 0.626 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001049000011 757649623 /nfs/dbraw/zinc/64/96/23/757649623.db2.gz IHMBQORQYSYCIG-BPUTZDHNSA-N 1 2 348.447 0.975 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001049000011 757649631 /nfs/dbraw/zinc/64/96/31/757649631.db2.gz IHMBQORQYSYCIG-BPUTZDHNSA-N 1 2 348.447 0.975 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](C)Oc3cccnc3)nn2)C1 ZINC001107207657 757737964 /nfs/dbraw/zinc/73/79/64/757737964.db2.gz ANSPMPRLUDJASE-ZDUSSCGKSA-N 1 2 342.403 0.800 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C(C)(C)CNC(C)=O)nn2)C1 ZINC001107220109 757838904 /nfs/dbraw/zinc/83/89/04/757838904.db2.gz ZYGSFJIZRHQXLS-UHFFFAOYSA-N 1 2 348.451 0.489 20 30 ECEDLO CN(CC(F)(F)F)C(=O)C[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127737529 757852121 /nfs/dbraw/zinc/85/21/21/757852121.db2.gz QLLCBXOKHIZEHD-SSDOTTSWSA-N 1 2 341.227 0.613 20 30 ECEDLO CN(CC(F)(F)F)C(=O)C[NH2+]CCNC(=O)[C@@H](F)C(F)(F)F ZINC001127737529 757852131 /nfs/dbraw/zinc/85/21/31/757852131.db2.gz QLLCBXOKHIZEHD-SSDOTTSWSA-N 1 2 341.227 0.613 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3cccnn3)nn2)C1 ZINC001107221446 757861912 /nfs/dbraw/zinc/86/19/12/757861912.db2.gz ZRCBFSVRAHDFPG-UHFFFAOYSA-N 1 2 343.391 0.057 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2nccnc2C)C[C@H]1O ZINC001077016659 757942996 /nfs/dbraw/zinc/94/29/96/757942996.db2.gz WPTIHMLIWOPIHX-DZUCGIPZSA-N 1 2 346.431 0.428 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@H]1O ZINC001077016659 757943007 /nfs/dbraw/zinc/94/30/07/757943007.db2.gz WPTIHMLIWOPIHX-DZUCGIPZSA-N 1 2 346.431 0.428 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)CCCOC)nn2)C1 ZINC001107228027 757984095 /nfs/dbraw/zinc/98/40/95/757984095.db2.gz YRYSSAJYXOKDJR-AWEZNQCLSA-N 1 2 333.436 0.837 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3[nH]cnc3C)nn2)C1 ZINC001107241807 757998400 /nfs/dbraw/zinc/99/84/00/757998400.db2.gz FLSGKOBNNHVHSE-UHFFFAOYSA-N 1 2 345.407 0.299 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001022039371 758195762 /nfs/dbraw/zinc/19/57/62/758195762.db2.gz RHOUWHRBEFXZEI-JJXSEGSLSA-N 1 2 344.415 0.534 20 30 ECEDLO Cc1nc(N2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](O)C2)cc[nH+]1 ZINC001051656519 762608572 /nfs/dbraw/zinc/60/85/72/762608572.db2.gz AKPFMEPPNVBWLF-TZMCWYRMSA-N 1 2 326.360 0.354 20 30 ECEDLO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2scnc2C(F)(F)F)C1 ZINC001077154290 758366535 /nfs/dbraw/zinc/36/65/35/758366535.db2.gz MIEOTEIDVBYZPR-RKDXNWHRSA-N 1 2 333.335 0.960 20 30 ECEDLO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2scnc2C(F)(F)F)C1 ZINC001077154290 758366545 /nfs/dbraw/zinc/36/65/45/758366545.db2.gz MIEOTEIDVBYZPR-RKDXNWHRSA-N 1 2 333.335 0.960 20 30 ECEDLO N#Cc1nccc(NC/C=C/CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC001107394754 758453258 /nfs/dbraw/zinc/45/32/58/758453258.db2.gz PBBBUMIOZVYQRL-ZIYVKSGCSA-N 1 2 337.387 0.314 20 30 ECEDLO C=C[C@H](CC)CC(=O)N(C)[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC001049268359 758460159 /nfs/dbraw/zinc/46/01/59/758460159.db2.gz MLYJRKXYCKUAGC-ILXRZTDVSA-N 1 2 334.420 0.516 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1O ZINC001049274923 758464681 /nfs/dbraw/zinc/46/46/81/758464681.db2.gz FBQWAXUYUSCGFN-KBMXLJTQSA-N 1 2 348.447 0.975 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1O ZINC001049274923 758464688 /nfs/dbraw/zinc/46/46/88/758464688.db2.gz FBQWAXUYUSCGFN-KBMXLJTQSA-N 1 2 348.447 0.975 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001049274723 758465038 /nfs/dbraw/zinc/46/50/38/758465038.db2.gz BUYDAJQQMWEPBT-QEJZJMRPSA-N 1 2 334.420 0.585 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC001077296353 758723647 /nfs/dbraw/zinc/72/36/47/758723647.db2.gz GRWXNTSRQWHJFT-GHMZBOCLSA-N 1 2 330.310 0.237 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC001077296353 758723658 /nfs/dbraw/zinc/72/36/58/758723658.db2.gz GRWXNTSRQWHJFT-GHMZBOCLSA-N 1 2 330.310 0.237 20 30 ECEDLO C=CCCC1(C(=O)N(C)[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2O)CC1 ZINC001049453558 758731460 /nfs/dbraw/zinc/73/14/60/758731460.db2.gz HMGRKMZKHDAQCY-KBPBESRZSA-N 1 2 346.431 0.729 20 30 ECEDLO C[C@H](NC(=O)CSCC#N)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001051671563 762655900 /nfs/dbraw/zinc/65/59/00/762655900.db2.gz JSEYYOSRIOJBPN-RYUDHWBXSA-N 1 2 335.433 0.562 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC(N)=O)cc1C#N ZINC001032323970 758778192 /nfs/dbraw/zinc/77/81/92/758778192.db2.gz SCPOTMBOPGYLAG-KBPBESRZSA-N 1 2 328.372 0.227 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC(N)=O)cc1C#N ZINC001032323970 758778194 /nfs/dbraw/zinc/77/81/94/758778194.db2.gz SCPOTMBOPGYLAG-KBPBESRZSA-N 1 2 328.372 0.227 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)[nH]nc2C(F)(F)F)C1 ZINC001077397215 758992971 /nfs/dbraw/zinc/99/29/71/758992971.db2.gz PVRRTJZXMRPSOH-NXEZZACHSA-N 1 2 330.310 0.535 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)[nH]nc2C(F)(F)F)C1 ZINC001077397215 758992979 /nfs/dbraw/zinc/99/29/79/758992979.db2.gz PVRRTJZXMRPSOH-NXEZZACHSA-N 1 2 330.310 0.535 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H]2C)cn1 ZINC001011935752 758997340 /nfs/dbraw/zinc/99/73/40/758997340.db2.gz GTYNVZPKSVFIRY-BBRMVZONSA-N 1 2 337.383 0.679 20 30 ECEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)c3ccnn3C)CC2)C1 ZINC001105693616 759056142 /nfs/dbraw/zinc/05/61/42/759056142.db2.gz CKRNIHMEJNHEFV-UHFFFAOYSA-N 1 2 348.447 0.928 20 30 ECEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCCn2cnc(C#N)n2)C1 ZINC000347619302 759121621 /nfs/dbraw/zinc/12/16/21/759121621.db2.gz BPDMMPJNDRVKNG-LBPRGKRZSA-N 1 2 328.380 0.472 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1cnn(C)n1 ZINC001049733026 759145156 /nfs/dbraw/zinc/14/51/56/759145156.db2.gz URIRCNXTVDVWDI-TWMKSMIVSA-N 1 2 345.447 0.972 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cnn(C)n1 ZINC001049733026 759145161 /nfs/dbraw/zinc/14/51/61/759145161.db2.gz URIRCNXTVDVWDI-TWMKSMIVSA-N 1 2 345.447 0.972 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C)c1 ZINC001012010991 759196804 /nfs/dbraw/zinc/19/68/04/759196804.db2.gz FNJIOTWLPKDFAO-IUODEOHRSA-N 1 2 337.383 0.748 20 30 ECEDLO C=CCCC(=O)N1CCC(OC2C[NH+](CCn3cncn3)C2)CC1 ZINC001105697004 759231379 /nfs/dbraw/zinc/23/13/79/759231379.db2.gz KFTFHIABALXVOZ-UHFFFAOYSA-N 1 2 333.436 0.936 20 30 ECEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)c3cncnc3)CC2)C1 ZINC001105703173 759481367 /nfs/dbraw/zinc/48/13/67/759481367.db2.gz PXGYMHDHCMUTRJ-UHFFFAOYSA-N 1 2 346.431 0.985 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)Cc3cnoc3)[C@@H](O)C2)s1 ZINC001083719928 767864201 /nfs/dbraw/zinc/86/42/01/767864201.db2.gz CLENUAXXYOGKCK-KGLIPLIRSA-N 1 2 332.385 0.512 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)Cc3cnoc3)[C@@H](O)C2)s1 ZINC001083719928 767864209 /nfs/dbraw/zinc/86/42/09/767864209.db2.gz CLENUAXXYOGKCK-KGLIPLIRSA-N 1 2 332.385 0.512 20 30 ECEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[C@H](C)NC(N)=O)CC2)C1 ZINC001105707020 759560090 /nfs/dbraw/zinc/56/00/90/759560090.db2.gz JGJYRRXACGBWRE-ZDUSSCGKSA-N 1 2 338.452 0.701 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NCC2=CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)c1 ZINC001017365518 767896360 /nfs/dbraw/zinc/89/63/60/767896360.db2.gz QXSYYXBLIOLZLE-UHFFFAOYSA-N 1 2 338.371 0.741 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001012500521 760105718 /nfs/dbraw/zinc/10/57/18/760105718.db2.gz JTVXLOJBQITKOR-RISCZKNCSA-N 1 2 326.360 0.502 20 30 ECEDLO N#Cc1ccc(C(=O)NCC2=CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)[nH]1 ZINC001017392363 767923859 /nfs/dbraw/zinc/92/38/59/767923859.db2.gz WOPPIPYQHWVRKU-UHFFFAOYSA-N 1 2 338.371 0.741 20 30 ECEDLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001050484306 760339813 /nfs/dbraw/zinc/33/98/13/760339813.db2.gz SLIPIIMYCFBIOB-NWDGAFQWSA-N 1 2 340.387 0.819 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCCOC2)C1=O ZINC001017408622 767944096 /nfs/dbraw/zinc/94/40/96/767944096.db2.gz QTMCZZKOYNZPQH-NCOADZHNSA-N 1 2 347.459 0.875 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCCOC2)C1=O ZINC001017408622 767944099 /nfs/dbraw/zinc/94/40/99/767944099.db2.gz QTMCZZKOYNZPQH-NCOADZHNSA-N 1 2 347.459 0.875 20 30 ECEDLO C#CCNC(=O)CC(=O)NC/C=C\CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107130586 760532210 /nfs/dbraw/zinc/53/22/10/760532210.db2.gz 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/nfs/dbraw/zinc/15/32/66/761153266.db2.gz JEJXASFUOWVZAB-XJKSGUPXSA-N 1 2 331.420 0.240 20 30 ECEDLO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(=O)[nH]c2ncn(C)c21 ZINC001050952277 761207314 /nfs/dbraw/zinc/20/73/14/761207314.db2.gz NZTAIXIEUHZWQM-GFCCVEGCSA-N 1 2 343.387 0.128 20 30 ECEDLO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(=O)[nH]c2ncn(C)c21 ZINC001050952277 761207317 /nfs/dbraw/zinc/20/73/17/761207317.db2.gz NZTAIXIEUHZWQM-GFCCVEGCSA-N 1 2 343.387 0.128 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCC#C)C[C@H]1OC ZINC001212148151 761244550 /nfs/dbraw/zinc/24/45/50/761244550.db2.gz BPVMHKNRTWNXGK-BZUAXINKSA-N 1 2 333.432 0.133 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCC#C)C[C@H]1OC ZINC001212148151 761244561 /nfs/dbraw/zinc/24/45/61/761244561.db2.gz BPVMHKNRTWNXGK-BZUAXINKSA-N 1 2 333.432 0.133 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)Cc1c[nH+]cn1C ZINC001013329785 761313767 /nfs/dbraw/zinc/31/37/67/761313767.db2.gz WMQAMIHCHPFVLQ-YPMHNXCESA-N 1 2 340.387 0.582 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@@H]([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001051024041 761354481 /nfs/dbraw/zinc/35/44/81/761354481.db2.gz MAVKYDPJEVMUDW-LSDHHAIUSA-N 1 2 334.420 0.829 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cnc2c(c1)nnn2C ZINC001051026841 761358676 /nfs/dbraw/zinc/35/86/76/761358676.db2.gz XBXWNZPNNFWFBA-CYBMUJFWSA-N 1 2 330.392 0.370 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnc2c(c1)nnn2C ZINC001051026841 761358686 /nfs/dbraw/zinc/35/86/86/761358686.db2.gz XBXWNZPNNFWFBA-CYBMUJFWSA-N 1 2 330.392 0.370 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)CCn1cc[nH+]c1 ZINC001013404894 761372194 /nfs/dbraw/zinc/37/21/94/761372194.db2.gz IAFGUJNEOCRTLR-IUODEOHRSA-N 1 2 340.387 0.892 20 30 ECEDLO C=CCN1CCOC[C@H]1CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001051045339 761384997 /nfs/dbraw/zinc/38/49/97/761384997.db2.gz YEGYVYSHSWVXLO-SJORKVTESA-N 1 2 337.464 0.490 20 30 ECEDLO C=CCN1CCOC[C@H]1CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001051045339 761385005 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C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001051089228 761471369 /nfs/dbraw/zinc/47/13/69/761471369.db2.gz KPUQSAWGAOMYBB-UONOGXRCSA-N 1 2 333.436 0.313 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001051089228 761471374 /nfs/dbraw/zinc/47/13/74/761471374.db2.gz KPUQSAWGAOMYBB-UONOGXRCSA-N 1 2 333.436 0.313 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C[C@@H]1C ZINC001013494199 761486652 /nfs/dbraw/zinc/48/66/52/761486652.db2.gz ZPEUSCHFWNKTRY-GXFFZTMASA-N 1 2 340.387 0.880 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001051185749 761640958 /nfs/dbraw/zinc/64/09/58/761640958.db2.gz YPPOCQYZNNNJLC-CABCVRRESA-N 1 2 349.435 0.321 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001051185749 761640963 /nfs/dbraw/zinc/64/09/63/761640963.db2.gz YPPOCQYZNNNJLC-CABCVRRESA-N 1 2 349.435 0.321 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@]3(F)CCOC3)[C@@H](O)C2)c1 ZINC001083726488 768054876 /nfs/dbraw/zinc/05/48/76/768054876.db2.gz NJEHSJNHYVDTOO-HLLBOEOZSA-N 1 2 333.363 0.348 20 30 ECEDLO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@]3(F)CCOC3)[C@@H](O)C2)c1 ZINC001083726488 768054882 /nfs/dbraw/zinc/05/48/82/768054882.db2.gz NJEHSJNHYVDTOO-HLLBOEOZSA-N 1 2 333.363 0.348 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cn(C2CCOCC2)nn1 ZINC001051198496 761671716 /nfs/dbraw/zinc/67/17/16/761671716.db2.gz UTIMIJFYWNSMAZ-OAHLLOKOSA-N 1 2 349.435 0.636 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cn(C2CCOCC2)nn1 ZINC001051198496 761671722 /nfs/dbraw/zinc/67/17/22/761671722.db2.gz UTIMIJFYWNSMAZ-OAHLLOKOSA-N 1 2 349.435 0.636 20 30 ECEDLO N#CCN1CCOC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001051208126 761691021 /nfs/dbraw/zinc/69/10/21/761691021.db2.gz YCMZEIOEWRQWPD-AWEZNQCLSA-N 1 2 326.360 0.221 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C(=O)NC)nc1 ZINC001051211043 761696570 /nfs/dbraw/zinc/69/65/70/761696570.db2.gz UAWMXGGNLBDOGG-AWEZNQCLSA-N 1 2 332.404 0.448 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C(=O)NC)nc1 ZINC001051211043 761696575 /nfs/dbraw/zinc/69/65/75/761696575.db2.gz UAWMXGGNLBDOGG-AWEZNQCLSA-N 1 2 332.404 0.448 20 30 ECEDLO C=CCCOCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001051251655 761766068 /nfs/dbraw/zinc/76/60/68/761766068.db2.gz QWMNPDLXYADECE-LSDHHAIUSA-N 1 2 348.447 0.909 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(c2ccncc2C#N)C[C@H]1O ZINC001051711068 762762410 /nfs/dbraw/zinc/76/24/10/762762410.db2.gz HAELLZDYHVSGSF-CZUORRHYSA-N 1 2 340.387 0.283 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)C1 ZINC001014542440 762806988 /nfs/dbraw/zinc/80/69/88/762806988.db2.gz INJMSGBKEMVVAA-NSHDSACASA-N 1 2 326.832 0.914 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)C1 ZINC001014542440 762806995 /nfs/dbraw/zinc/80/69/95/762806995.db2.gz INJMSGBKEMVVAA-NSHDSACASA-N 1 2 326.832 0.914 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)NC[C@H](O)CNc1ccc(C#N)nc1 ZINC001105927343 762842779 /nfs/dbraw/zinc/84/27/79/762842779.db2.gz GAAJDKYFCJPCIJ-OAHLLOKOSA-N 1 2 328.376 0.209 20 30 ECEDLO Cc1nsc(N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](O)C2)c1C#N ZINC001051791036 762975613 /nfs/dbraw/zinc/97/56/13/762975613.db2.gz ZXRRFOMXRMWJSS-QWHCGFSZSA-N 1 2 346.416 0.345 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@@H](O)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001105970119 763122332 /nfs/dbraw/zinc/12/23/32/763122332.db2.gz AILZGRBBHCTQED-KGLIPLIRSA-N 1 2 334.420 0.836 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]2O)CC1 ZINC000991746875 763159387 /nfs/dbraw/zinc/15/93/87/763159387.db2.gz DUKACIRZTWCDDS-CVEARBPZSA-N 1 2 346.431 0.708 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC001046815630 763167274 /nfs/dbraw/zinc/16/72/74/763167274.db2.gz YWPHSGOKGRNEDT-UKRRQHHQSA-N 1 2 329.828 0.567 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC001046815630 763167278 /nfs/dbraw/zinc/16/72/78/763167278.db2.gz YWPHSGOKGRNEDT-UKRRQHHQSA-N 1 2 329.828 0.567 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NCC1=CCN(c2ccc(C#N)nn2)CC1 ZINC001127664077 763179770 /nfs/dbraw/zinc/17/97/70/763179770.db2.gz FWUFLGDNKAFNFM-UHFFFAOYSA-N 1 2 337.387 0.577 20 30 ECEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2O)CC1 ZINC000991753571 763242527 /nfs/dbraw/zinc/24/25/27/763242527.db2.gz LYYHLLODGIGMTN-GJZGRUSLSA-N 1 2 346.431 0.777 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2O)CC1 ZINC000991755368 763267292 /nfs/dbraw/zinc/26/72/92/763267292.db2.gz OSHQAYLNOJFRLW-HZPDHXFCSA-N 1 2 346.431 0.777 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NCC1=CCN(c2cnc(C#N)cn2)CC1 ZINC001127675526 763297016 /nfs/dbraw/zinc/29/70/16/763297016.db2.gz UUTOBUJBRLSLNO-UHFFFAOYSA-N 1 2 337.387 0.875 20 30 ECEDLO Cc1nn[nH]c1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031890806 763333676 /nfs/dbraw/zinc/33/36/76/763333676.db2.gz PBJSHAMSZSULTP-UHFFFAOYSA-N 1 2 328.351 0.986 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCC1(F)F ZINC001046940922 763428494 /nfs/dbraw/zinc/42/84/94/763428494.db2.gz BHYLPMXSVSHFCU-UPJWGTAASA-N 1 2 345.390 0.526 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCC1(F)F ZINC001046940922 763428499 /nfs/dbraw/zinc/42/84/99/763428499.db2.gz BHYLPMXSVSHFCU-UPJWGTAASA-N 1 2 345.390 0.526 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@H]3C(N)=O)C2)cc1F ZINC001031896110 763431999 /nfs/dbraw/zinc/43/19/99/763431999.db2.gz BSLNUINSGXFGLC-HUUCEWRRSA-N 1 2 344.390 0.757 20 30 ECEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@H]3C(N)=O)C2)c1 ZINC001031900109 763453978 /nfs/dbraw/zinc/45/39/78/763453978.db2.gz YYIWIKYKAJYNCF-HUUCEWRRSA-N 1 2 344.390 0.757 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)n3cccn3)C2)CC1 ZINC001051990077 763527628 /nfs/dbraw/zinc/52/76/28/763527628.db2.gz LPZBDKJDMYPYQS-SJORKVTESA-N 1 2 329.448 0.686 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)n3cccn3)C2)CC1 ZINC001051990076 763527759 /nfs/dbraw/zinc/52/77/59/763527759.db2.gz LPZBDKJDMYPYQS-IRXDYDNUSA-N 1 2 329.448 0.686 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)CC1 ZINC001052010677 763579507 /nfs/dbraw/zinc/57/95/07/763579507.db2.gz CWPSNHZDOSXEED-HZPDHXFCSA-N 1 2 334.464 0.307 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)C[C@](C)(O)C3CC3)C2)CC1 ZINC001052011583 763581712 /nfs/dbraw/zinc/58/17/12/763581712.db2.gz VZFWPXAFJKJUCO-HKUYNNGSSA-N 1 2 333.476 0.779 20 30 ECEDLO C[C@H](C(=O)N(C)C)[NH+]1CCN([C@H]2CCN(C(=O)C#CC3CC3)C2)CC1 ZINC001052025517 763616161 /nfs/dbraw/zinc/61/61/61/763616161.db2.gz GGMVJXCZLNTEEW-WBVHZDCISA-N 1 2 346.475 0.095 20 30 ECEDLO C[C@H](C(=O)N(C)C)N1CC[NH+]([C@H]2CCN(C(=O)C#CC3CC3)C2)CC1 ZINC001052025517 763616167 /nfs/dbraw/zinc/61/61/67/763616167.db2.gz GGMVJXCZLNTEEW-WBVHZDCISA-N 1 2 346.475 0.095 20 30 ECEDLO Cn1ccc(CN2CC[NH+]([C@H]3CCN(C(=O)C#CC4CC4)C3)CC2)n1 ZINC001052025685 763617705 /nfs/dbraw/zinc/61/77/05/763617705.db2.gz IYITZYPRYLYLNQ-SFHVURJKSA-N 1 2 341.459 0.552 20 30 ECEDLO COc1cc(C)cnc1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052037380 763655696 /nfs/dbraw/zinc/65/56/96/763655696.db2.gz LTAFEAMJUKYKFO-HNNXBMFYSA-N 1 2 343.431 0.754 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn(C)c3Cl)C2)CC1 ZINC001052045154 763682266 /nfs/dbraw/zinc/68/22/66/763682266.db2.gz QNWGRLPABBVZAF-AWEZNQCLSA-N 1 2 349.866 0.929 20 30 ECEDLO COc1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)cn1 ZINC001052047055 763688726 /nfs/dbraw/zinc/68/87/26/763688726.db2.gz HSALNMOQKOBELV-OAHLLOKOSA-N 1 2 329.404 0.446 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccn4nccc34)C2)CC1 ZINC001052047521 763691000 /nfs/dbraw/zinc/69/10/00/763691000.db2.gz PMWYCDJGEJLTTH-MRXNPFEDSA-N 1 2 337.427 0.800 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C2)CC1 ZINC001052048030 763693552 /nfs/dbraw/zinc/69/35/52/763693552.db2.gz JBYHROQUYSUPSO-HNNXBMFYSA-N 1 2 341.459 0.754 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001052051740 763713061 /nfs/dbraw/zinc/71/30/61/763713061.db2.gz VIJXEWWAKREFHJ-NWDGAFQWSA-N 1 2 335.433 0.420 20 30 ECEDLO N#Cc1ccc(NC[C@H](O)CNC(=O)[C@H]2CCc3c[nH+]cn3C2)nc1 ZINC001106015712 763717792 /nfs/dbraw/zinc/71/77/92/763717792.db2.gz LYWUBNCWMQJNNX-ZFWWWQNUSA-N 1 2 340.387 0.301 20 30 ECEDLO N#Cc1cccnc1NC[C@@H](O)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001106016095 763718073 /nfs/dbraw/zinc/71/80/73/763718073.db2.gz NVMWFHOQPLZXER-GXTWGEPZSA-N 1 2 340.387 0.301 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3nc(C)no3)C2)CC1 ZINC001052059542 763736980 /nfs/dbraw/zinc/73/69/80/763736980.db2.gz KKWOMUNOKIYGML-MRXNPFEDSA-N 1 2 345.447 0.552 20 30 ECEDLO CCCc1cc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)[nH]n1 ZINC001052060415 763739731 /nfs/dbraw/zinc/73/97/31/763739731.db2.gz DCVAWMDEPOJBIE-OAHLLOKOSA-N 1 2 330.436 0.718 20 30 ECEDLO COc1ccnc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)c1 ZINC001052060397 763740295 /nfs/dbraw/zinc/74/02/95/763740295.db2.gz CRNMTBUTBBSPMY-CQSZACIVSA-N 1 2 329.404 0.446 20 30 ECEDLO C=CCCO[C@H](C)C(=O)NCC[NH2+][C@H](C)c1nc(COC)no1 ZINC001124487641 763742682 /nfs/dbraw/zinc/74/26/82/763742682.db2.gz GCQQPEJYUMWJFS-VXGBXAGGSA-N 1 2 326.397 0.964 20 30 ECEDLO C=C1CCC(C(=O)N2CC[C@H]([NH+]3CCN(CC(N)=O)CC3)C2)CC1 ZINC001052073585 763777279 /nfs/dbraw/zinc/77/72/79/763777279.db2.gz JODJISXBPLCVLQ-INIZCTEOSA-N 1 2 334.464 0.437 20 30 ECEDLO COc1ncccc1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052074626 763781111 /nfs/dbraw/zinc/78/11/11/763781111.db2.gz IRVQHZIZWXALQY-AWEZNQCLSA-N 1 2 329.404 0.446 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)CC1 ZINC001052085247 763811338 /nfs/dbraw/zinc/81/13/38/763811338.db2.gz BJRVECNGSSWLRK-IKGGRYGDSA-N 1 2 346.475 0.130 20 30 ECEDLO C=C(C)C[NH+]1CCN([C@H]2CCN(C(=O)CCc3cn[nH]n3)C2)CC1 ZINC001052086468 763814870 /nfs/dbraw/zinc/81/48/70/763814870.db2.gz BEJOSXJZNAVATO-INIZCTEOSA-N 1 2 332.452 0.532 20 30 ECEDLO C=C(C)C[NH+]1CCN([C@H]2CCN(C(=O)CCc3c[nH]nn3)C2)CC1 ZINC001052086468 763814880 /nfs/dbraw/zinc/81/48/80/763814880.db2.gz BEJOSXJZNAVATO-INIZCTEOSA-N 1 2 332.452 0.532 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCN(CCOC)CC2)C1 ZINC001052090136 763827272 /nfs/dbraw/zinc/82/72/72/763827272.db2.gz XLUYDDRJVPJOTC-ZACQAIPSSA-N 1 2 337.464 0.442 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)C[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001124525780 763830796 /nfs/dbraw/zinc/83/07/96/763830796.db2.gz RPKGOXULFYWRRE-LSDHHAIUSA-N 1 2 349.435 0.487 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]([NH+]3CCN(CC#CC)CC3)C2)nn1 ZINC001052092955 763834677 /nfs/dbraw/zinc/83/46/77/763834677.db2.gz HTJCAWYUJRINOL-INIZCTEOSA-N 1 2 342.447 0.320 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3csc4cncn43)C2)CC1 ZINC001052094491 763839707 /nfs/dbraw/zinc/83/97/07/763839707.db2.gz UHDBLRGZUWSGHI-ZDUSSCGKSA-N 1 2 344.444 0.751 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)COC3CCOCC3)C2)CC1 ZINC001052094634 763841278 /nfs/dbraw/zinc/84/12/78/763841278.db2.gz WULDGBFTTBCHRA-QGZVFWFLSA-N 1 2 349.475 0.424 20 30 ECEDLO CC(C)n1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052094790 763841650 /nfs/dbraw/zinc/84/16/50/763841650.db2.gz YLUJXHQKOFPORX-OAHLLOKOSA-N 1 2 330.436 0.820 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn4ccccc34)C2)CC1 ZINC001052097989 763852141 /nfs/dbraw/zinc/85/21/41/763852141.db2.gz BCEUUPXQPKJKKL-INIZCTEOSA-N 1 2 337.427 0.800 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(CC)nn3C)C2)CC1 ZINC001052100579 763861424 /nfs/dbraw/zinc/86/14/24/763861424.db2.gz GDAHCEPSCRKMBJ-QGZVFWFLSA-N 1 2 343.475 0.838 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn(CC)nn3)C2)CC1 ZINC001052103304 763869510 /nfs/dbraw/zinc/86/95/10/763869510.db2.gz OXXBDYWJKKTLNT-HNNXBMFYSA-N 1 2 330.436 0.153 20 30 ECEDLO CC(C)c1cc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)n(C)n1 ZINC001052105957 763878807 /nfs/dbraw/zinc/87/88/07/763878807.db2.gz WRDUPUXRJBJUBE-HNNXBMFYSA-N 1 2 344.463 0.899 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ncccc3OC)C2)CC1 ZINC001052111882 763904899 /nfs/dbraw/zinc/90/48/99/763904899.db2.gz GIIFMLYJJOFTTB-INIZCTEOSA-N 1 2 342.443 0.946 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@@H](C)COC)C2)nn1 ZINC001098761240 763909894 /nfs/dbraw/zinc/90/98/94/763909894.db2.gz CVTXBTSUGWFFBY-ZBFHGGJFSA-N 1 2 333.436 0.837 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)CCc3cnn(C)c3)C2)CC1 ZINC001052119157 763934934 /nfs/dbraw/zinc/93/49/34/763934934.db2.gz LGAKYHZGAMVRAH-SFHVURJKSA-N 1 2 343.475 0.595 20 30 ECEDLO CN(C)c1ccnc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)c1 ZINC001052122432 763946475 /nfs/dbraw/zinc/94/64/75/763946475.db2.gz SKKNYSAUNPNVDP-MRXNPFEDSA-N 1 2 342.447 0.503 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCC(=O)N(C)C3)C2)CC1 ZINC001052122765 763947305 /nfs/dbraw/zinc/94/73/05/763947305.db2.gz ZPHXKPGTMAPHDQ-IRXDYDNUSA-N 1 2 346.475 0.097 20 30 ECEDLO CN(C(=O)c1cn[nH]c1)[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047311700 763957763 /nfs/dbraw/zinc/95/77/63/763957763.db2.gz BAJGZTCPFYLDDJ-HOTGVXAUSA-N 1 2 325.372 0.599 20 30 ECEDLO CN(C(=O)c1cn[nH]c1)[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047311700 763957766 /nfs/dbraw/zinc/95/77/66/763957766.db2.gz BAJGZTCPFYLDDJ-HOTGVXAUSA-N 1 2 325.372 0.599 20 30 ECEDLO Cc1oncc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001047353139 764087176 /nfs/dbraw/zinc/08/71/76/764087176.db2.gz AOOMSJZJQSGDNE-GJZGRUSLSA-N 1 2 329.360 0.500 20 30 ECEDLO Cc1oncc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001047353139 764087182 /nfs/dbraw/zinc/08/71/82/764087182.db2.gz AOOMSJZJQSGDNE-GJZGRUSLSA-N 1 2 329.360 0.500 20 30 ECEDLO C=CC(C)(C)C(=O)NC[C@@H](O)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001106051174 764119795 /nfs/dbraw/zinc/11/97/95/764119795.db2.gz BKBDXSNTVDUZFI-LBPRGKRZSA-N 1 2 333.436 0.566 20 30 ECEDLO C=CC(C)(C)C(=O)NC[C@@H](O)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106051174 764119800 /nfs/dbraw/zinc/11/98/00/764119800.db2.gz BKBDXSNTVDUZFI-LBPRGKRZSA-N 1 2 333.436 0.566 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cc(OCC)no3)C2)C1=O ZINC001015301979 764333901 /nfs/dbraw/zinc/33/39/01/764333901.db2.gz ZXFYYTCBXXETIA-QWHCGFSZSA-N 1 2 348.403 0.664 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(OCC)no3)C2)C1=O ZINC001015301979 764333904 /nfs/dbraw/zinc/33/39/04/764333904.db2.gz ZXFYYTCBXXETIA-QWHCGFSZSA-N 1 2 348.403 0.664 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C3(C)CCCC3)C2)C1=O ZINC001047475496 764451154 /nfs/dbraw/zinc/45/11/54/764451154.db2.gz LJNLQNJGMCRABH-JYJNAYRXSA-N 1 2 349.475 0.857 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C3(C)CCCC3)C2)C1=O ZINC001047475496 764451158 /nfs/dbraw/zinc/45/11/58/764451158.db2.gz LJNLQNJGMCRABH-JYJNAYRXSA-N 1 2 349.475 0.857 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1CNC(=O)CSCC#N ZINC001052473411 764579261 /nfs/dbraw/zinc/57/92/61/764579261.db2.gz YHWOSEGBYHDGKQ-CHWSQXEVSA-N 1 2 349.460 0.810 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2cncc(F)c2)C[C@@H]1O ZINC001047530106 764610733 /nfs/dbraw/zinc/61/07/33/764610733.db2.gz NQKSLILHMUFWAJ-QZWWFDLISA-N 1 2 349.406 0.815 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2cncc(F)c2)C[C@@H]1O ZINC001047530106 764610737 /nfs/dbraw/zinc/61/07/37/764610737.db2.gz NQKSLILHMUFWAJ-QZWWFDLISA-N 1 2 349.406 0.815 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnccc2C(F)(F)F)C1 ZINC001047544401 764647084 /nfs/dbraw/zinc/64/70/84/764647084.db2.gz YMZYAPRJPQFKOX-STQMWFEESA-N 1 2 327.306 0.851 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnccc2C(F)(F)F)C1 ZINC001047544401 764647091 /nfs/dbraw/zinc/64/70/91/764647091.db2.gz YMZYAPRJPQFKOX-STQMWFEESA-N 1 2 327.306 0.851 20 30 ECEDLO C=CCCn1cc(C(=O)N(C)[C@H]2C[N@H+](C[C@H](F)CC)C[C@@H]2O)nn1 ZINC001047558077 764689989 /nfs/dbraw/zinc/68/99/89/764689989.db2.gz UUHLOAZGMZLSIW-SNPRPXQTSA-N 1 2 339.415 0.719 20 30 ECEDLO C=CCCn1cc(C(=O)N(C)[C@H]2C[N@@H+](C[C@H](F)CC)C[C@@H]2O)nn1 ZINC001047558077 764689995 /nfs/dbraw/zinc/68/99/95/764689995.db2.gz UUHLOAZGMZLSIW-SNPRPXQTSA-N 1 2 339.415 0.719 20 30 ECEDLO C=CCCC1(C(=O)NC[C@H](O)CNc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001106080000 764691766 /nfs/dbraw/zinc/69/17/66/764691766.db2.gz GPHJFEKDEFBZSR-ZDUSSCGKSA-N 1 2 348.451 0.881 20 30 ECEDLO C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C)CCCS2(=O)=O)C1 ZINC001047561058 764695099 /nfs/dbraw/zinc/69/50/99/764695099.db2.gz QHHDVGXGUDBQOD-DZKIICNBSA-N 1 2 344.477 0.423 20 30 ECEDLO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C)CCCS2(=O)=O)C1 ZINC001047561058 764695107 /nfs/dbraw/zinc/69/51/07/764695107.db2.gz QHHDVGXGUDBQOD-DZKIICNBSA-N 1 2 344.477 0.423 20 30 ECEDLO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001052555522 764749695 /nfs/dbraw/zinc/74/96/95/764749695.db2.gz ZALTVTPAMJZVFO-UKRRQHHQSA-N 1 2 328.416 0.966 20 30 ECEDLO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001052555522 764749700 /nfs/dbraw/zinc/74/97/00/764749700.db2.gz ZALTVTPAMJZVFO-UKRRQHHQSA-N 1 2 328.416 0.966 20 30 ECEDLO CN1C[C@H](C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)NC1=O ZINC001015513368 764847377 /nfs/dbraw/zinc/84/73/77/764847377.db2.gz CTSXAARVCUDYBC-HZPDHXFCSA-N 1 2 344.390 0.391 20 30 ECEDLO CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)NC1=O ZINC001015513368 764847384 /nfs/dbraw/zinc/84/73/84/764847384.db2.gz CTSXAARVCUDYBC-HZPDHXFCSA-N 1 2 344.390 0.391 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3nnc(C)o3)CC2)nn1 ZINC001052774640 765096275 /nfs/dbraw/zinc/09/62/75/765096275.db2.gz FONKWOICRRZPBJ-ZDUSSCGKSA-N 1 2 345.407 0.940 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3nnc(C)o3)CC2)nn1 ZINC001052774640 765096283 /nfs/dbraw/zinc/09/62/83/765096283.db2.gz FONKWOICRRZPBJ-ZDUSSCGKSA-N 1 2 345.407 0.940 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1CNC(=O)C#CC1CC1 ZINC001052815810 765174091 /nfs/dbraw/zinc/17/40/91/765174091.db2.gz XCFSYDAMDWJVEZ-HIFRSBDPSA-N 1 2 328.416 0.966 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1CNC(=O)C#CC1CC1 ZINC001052815810 765174094 /nfs/dbraw/zinc/17/40/94/765174094.db2.gz XCFSYDAMDWJVEZ-HIFRSBDPSA-N 1 2 328.416 0.966 20 30 ECEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(S(N)(=O)=O)c1 ZINC001017673068 768279624 /nfs/dbraw/zinc/27/96/24/768279624.db2.gz WIZPTGMOVZHRCV-TXEJJXNPSA-N 1 2 325.390 0.402 20 30 ECEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(S(N)(=O)=O)c1 ZINC001017673068 768279627 /nfs/dbraw/zinc/27/96/27/768279627.db2.gz WIZPTGMOVZHRCV-TXEJJXNPSA-N 1 2 325.390 0.402 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(OC)ns3)C2)nn1 ZINC001015811457 765371000 /nfs/dbraw/zinc/37/10/00/765371000.db2.gz GSXKHKKTOAPXFU-NSHDSACASA-N 1 2 348.432 0.934 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cc(OC)ns3)C2)nn1 ZINC001015811457 765371004 /nfs/dbraw/zinc/37/10/04/765371004.db2.gz GSXKHKKTOAPXFU-NSHDSACASA-N 1 2 348.432 0.934 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C3CC3)C2)nn1 ZINC001015820193 765382468 /nfs/dbraw/zinc/38/24/68/765382468.db2.gz CQBHEHGYPNASAW-CYBMUJFWSA-N 1 2 346.435 0.279 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C3CC3)C2)nn1 ZINC001015820193 765382475 /nfs/dbraw/zinc/38/24/75/765382475.db2.gz CQBHEHGYPNASAW-CYBMUJFWSA-N 1 2 346.435 0.279 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001015822336 765384478 /nfs/dbraw/zinc/38/44/78/765384478.db2.gz HFBVWNSZYREJKS-LBPRGKRZSA-N 1 2 340.815 0.122 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(n3cnnn3)CCOCC2)C1 ZINC001015822336 765384487 /nfs/dbraw/zinc/38/44/87/765384487.db2.gz HFBVWNSZYREJKS-LBPRGKRZSA-N 1 2 340.815 0.122 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](NC(=O)c2cnon2)C1 ZINC001015877784 765486370 /nfs/dbraw/zinc/48/63/70/765486370.db2.gz ZODIRJQZPBEDJM-CYBMUJFWSA-N 1 2 327.344 0.954 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)c2cnon2)C1 ZINC001015877784 765486376 /nfs/dbraw/zinc/48/63/76/765486376.db2.gz ZODIRJQZPBEDJM-CYBMUJFWSA-N 1 2 327.344 0.954 20 30 ECEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1nc2ncccn2n1 ZINC001015879281 765487766 /nfs/dbraw/zinc/48/77/66/765487766.db2.gz JKMDQGMOYPFEDR-INIZCTEOSA-N 1 2 346.394 0.980 20 30 ECEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1nc2ncccn2n1 ZINC001015879281 765487769 /nfs/dbraw/zinc/48/77/69/765487769.db2.gz JKMDQGMOYPFEDR-INIZCTEOSA-N 1 2 346.394 0.980 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001015908777 765527823 /nfs/dbraw/zinc/52/78/23/765527823.db2.gz UFJCDQQAOASWFA-OAHLLOKOSA-N 1 2 337.383 0.990 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001015908777 765527829 /nfs/dbraw/zinc/52/78/29/765527829.db2.gz UFJCDQQAOASWFA-OAHLLOKOSA-N 1 2 337.383 0.990 20 30 ECEDLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1CNC(=O)CSCC#N ZINC001053076532 765552606 /nfs/dbraw/zinc/55/26/06/765552606.db2.gz ZRUYHCARCHNTOU-KBPBESRZSA-N 1 2 349.460 0.741 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(C)cc3=O)C2)C1=O ZINC001015937273 765580049 /nfs/dbraw/zinc/58/00/49/765580049.db2.gz AHSIDYGIVGNOCN-HIFRSBDPSA-N 1 2 344.415 0.274 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C)cc3=O)C2)C1=O ZINC001015937273 765580054 /nfs/dbraw/zinc/58/00/54/765580054.db2.gz AHSIDYGIVGNOCN-HIFRSBDPSA-N 1 2 344.415 0.274 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@]2(NC(=O)C(N)=O)CCC[C@H]12 ZINC000992140678 765630552 /nfs/dbraw/zinc/63/05/52/765630552.db2.gz AOMNSTPYCKMVLT-WMLDXEAASA-N 1 2 330.363 0.796 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@]2(NC(=O)C(N)=O)CCC[C@H]12 ZINC000992140678 765630560 /nfs/dbraw/zinc/63/05/60/765630560.db2.gz AOMNSTPYCKMVLT-WMLDXEAASA-N 1 2 330.363 0.796 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cc3nc[nH]n3)C2)cc1F ZINC001015968068 765635702 /nfs/dbraw/zinc/63/57/02/765635702.db2.gz PQJCGSFWEMSRFB-CYBMUJFWSA-N 1 2 328.351 0.749 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)Cc3nc[nH]n3)C2)cc1F ZINC001015968068 765635705 /nfs/dbraw/zinc/63/57/05/765635705.db2.gz PQJCGSFWEMSRFB-CYBMUJFWSA-N 1 2 328.351 0.749 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3c(C)nnn3CC)C2)nc1 ZINC001016022311 765726301 /nfs/dbraw/zinc/72/63/01/765726301.db2.gz CMUTULKGVQKMPQ-OAHLLOKOSA-N 1 2 338.415 0.987 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3c(C)nnn3CC)C2)nc1 ZINC001016022311 765726308 /nfs/dbraw/zinc/72/63/08/765726308.db2.gz CMUTULKGVQKMPQ-OAHLLOKOSA-N 1 2 338.415 0.987 20 30 ECEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCC(=O)N1 ZINC001016028504 765731312 /nfs/dbraw/zinc/73/13/12/765731312.db2.gz YYPINYNOPYPNTL-HOTGVXAUSA-N 1 2 329.375 0.646 20 30 ECEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCC(=O)N1 ZINC001016028504 765731314 /nfs/dbraw/zinc/73/13/14/765731314.db2.gz YYPINYNOPYPNTL-HOTGVXAUSA-N 1 2 329.375 0.646 20 30 ECEDLO N#Cc1cncc(NC[C@@H](O)CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)n1 ZINC001106103867 765746422 /nfs/dbraw/zinc/74/64/22/765746422.db2.gz FAKWLEHGOOUWRW-NEPJUHHUSA-N 1 2 341.375 0.080 20 30 ECEDLO C=C(Br)C[NH2+][C@H]1CCN(C(=O)C2=NC(=O)N(C)C2)C1 ZINC001019330262 771166194 /nfs/dbraw/zinc/16/61/94/771166194.db2.gz UUSMRVAHQHCXPF-VIFPVBQESA-N 1 2 329.198 0.838 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc3n[nH]nc3n1)CCO2 ZINC001053281183 765895227 /nfs/dbraw/zinc/89/52/27/765895227.db2.gz SFBSQPJHGXPCPV-UHFFFAOYSA-N 1 2 328.376 0.456 20 30 ECEDLO CC#CCN1CC2(C1)CN(C(=O)[C@@H]1CCc3c[nH+]cn3C1)CCO2 ZINC001053317139 765960481 /nfs/dbraw/zinc/96/04/81/765960481.db2.gz ZMZXQOZMUPPGCY-OAHLLOKOSA-N 1 2 328.416 0.382 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CCN1C(=O)CCC1=O)CCO2 ZINC001053331937 765988275 /nfs/dbraw/zinc/98/82/75/765988275.db2.gz DJHGJXYLPBQTDN-UHFFFAOYSA-N 1 2 335.404 0.015 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)CCO2 ZINC001053353336 766018279 /nfs/dbraw/zinc/01/82/79/766018279.db2.gz MFZDFYLFFULYQL-HRCADAONSA-N 1 2 336.432 0.527 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1c(C)c(C)nn(C)c1=O)CCO2 ZINC001053366965 766041261 /nfs/dbraw/zinc/04/12/61/766041261.db2.gz SXPRBVQTFDUFAV-UHFFFAOYSA-N 1 2 346.431 0.500 20 30 ECEDLO CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCCS(=O)(=O)C3)CCC[C@@H]12 ZINC000992271822 766114176 /nfs/dbraw/zinc/11/41/76/766114176.db2.gz OBEYTXOCSVQJCR-ZMSDIMECSA-N 1 2 338.473 0.948 20 30 ECEDLO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCS(=O)(=O)C3)CCC[C@@H]12 ZINC000992271822 766114180 /nfs/dbraw/zinc/11/41/80/766114180.db2.gz OBEYTXOCSVQJCR-ZMSDIMECSA-N 1 2 338.473 0.948 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1c(C)nn(C)c1OC)CCO2 ZINC001053454796 766162645 /nfs/dbraw/zinc/16/26/45/766162645.db2.gz ZJMHIEFCEHMJPX-UHFFFAOYSA-N 1 2 334.420 0.840 20 30 ECEDLO C=CCN1CC2(C1)CN(C(=O)c1ccc(-n3cc[nH+]c3)cn1)CCO2 ZINC001053506747 766254812 /nfs/dbraw/zinc/25/48/12/766254812.db2.gz OATPAMAJSMJRJA-UHFFFAOYSA-N 1 2 339.399 0.980 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cc1c(C)nc(C)[nH]c1=O)CCO2 ZINC001053531810 766289070 /nfs/dbraw/zinc/28/90/70/766289070.db2.gz VXDYYMTXFIBCIA-UHFFFAOYSA-N 1 2 346.431 0.831 20 30 ECEDLO CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1)C1CC1 ZINC001212250791 766413062 /nfs/dbraw/zinc/41/30/62/766413062.db2.gz ICCUIWLYHWCLFS-HZPDHXFCSA-N 1 2 333.432 0.226 20 30 ECEDLO CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1)C1CC1 ZINC001212250791 766413067 /nfs/dbraw/zinc/41/30/67/766413067.db2.gz ICCUIWLYHWCLFS-HZPDHXFCSA-N 1 2 333.432 0.226 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc3n[nH]nc3n1)O2 ZINC001053608462 766424626 /nfs/dbraw/zinc/42/46/26/766424626.db2.gz BSPUPDJJKIWGFS-LBPRGKRZSA-N 1 2 342.403 0.892 20 30 ECEDLO CC#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCc3c[nH+]cn3C1)O2 ZINC001053619910 766451741 /nfs/dbraw/zinc/45/17/41/766451741.db2.gz ZHDLEQGLDUIWBJ-WBVHZDCISA-N 1 2 342.443 0.818 20 30 ECEDLO C=CCN1CC2(C1)CC[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)O2 ZINC001053620372 766453939 /nfs/dbraw/zinc/45/39/39/766453939.db2.gz LETIQVPMLIKMBE-CYBMUJFWSA-N 1 2 334.420 0.885 20 30 ECEDLO Cn1ncnc1C[NH+]1CCC2(C[C@H]2NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001016562260 766508017 /nfs/dbraw/zinc/50/80/17/766508017.db2.gz LGYKGWUVJHJIOY-CQSZACIVSA-N 1 2 339.403 0.799 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCC3(C[NH+](CCOC)C3)O2)c1 ZINC001053662484 766534715 /nfs/dbraw/zinc/53/47/15/766534715.db2.gz OAPNFCIJYYMQGD-INIZCTEOSA-N 1 2 329.400 0.673 20 30 ECEDLO C#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)O2 ZINC001053664928 766538351 /nfs/dbraw/zinc/53/83/51/766538351.db2.gz JCPXOWNLSHTPNZ-RRFJBIMHSA-N 1 2 328.416 0.506 20 30 ECEDLO C[C@H](CC(=O)NC[C@@H](O)CNc1ccncc1C#N)n1cc[nH+]c1 ZINC001106131699 766590172 /nfs/dbraw/zinc/59/01/72/766590172.db2.gz HXJAYPDZMUXGNK-OCCSQVGLSA-N 1 2 328.376 0.112 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1nc3nccc(C)n3n1)O2 ZINC001053694601 766604432 /nfs/dbraw/zinc/60/44/32/766604432.db2.gz VBZRQQBFWMHYKT-CYBMUJFWSA-N 1 2 342.403 0.582 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccnc(OC)c2)C[C@H]1OC ZINC001212258405 766605675 /nfs/dbraw/zinc/60/56/75/766605675.db2.gz SDIQZKVUGNXLFY-NUEKZKHPSA-N 1 2 347.415 0.444 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccnc(OC)c2)C[C@H]1OC ZINC001212258405 766605685 /nfs/dbraw/zinc/60/56/85/766605685.db2.gz SDIQZKVUGNXLFY-NUEKZKHPSA-N 1 2 347.415 0.444 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1CCN(C(C)=O)CC1)O2 ZINC001053696329 766608612 /nfs/dbraw/zinc/60/86/12/766608612.db2.gz GDRQYHVXURPHDT-INIZCTEOSA-N 1 2 335.448 0.781 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(C(N)=O)nc1)O2 ZINC001053704038 766629031 /nfs/dbraw/zinc/62/90/31/766629031.db2.gz VANMWSFAPUYSQT-CQSZACIVSA-N 1 2 344.415 0.720 20 30 ECEDLO Cc1nonc1C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001046013109 766641342 /nfs/dbraw/zinc/64/13/42/766641342.db2.gz SDZOSUVVGUQADY-GXTWGEPZSA-N 1 2 332.408 0.256 20 30 ECEDLO Cc1nonc1C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001046013109 766641348 /nfs/dbraw/zinc/64/13/48/766641348.db2.gz SDZOSUVVGUQADY-GXTWGEPZSA-N 1 2 332.408 0.256 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCN([C@H]2CC[N@H+](Cc3cnns3)C2)CC1 ZINC001046013184 766641385 /nfs/dbraw/zinc/64/13/85/766641385.db2.gz UNCYKHMKOJBWNN-OLZOCXBDSA-N 1 2 334.449 0.416 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3cnns3)C2)CC1 ZINC001046013184 766641389 /nfs/dbraw/zinc/64/13/89/766641389.db2.gz UNCYKHMKOJBWNN-OLZOCXBDSA-N 1 2 334.449 0.416 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2cnc(C)cn2)C[C@H]1OC ZINC001212262164 766685602 /nfs/dbraw/zinc/68/56/02/766685602.db2.gz FDPQLTHXMHIOIP-DJIMGWMZSA-N 1 2 346.431 0.701 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2cnc(C)cn2)C[C@H]1OC ZINC001212262164 766685604 /nfs/dbraw/zinc/68/56/04/766685604.db2.gz FDPQLTHXMHIOIP-DJIMGWMZSA-N 1 2 346.431 0.701 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3CCCc4cn[nH]c43)CC2)C1 ZINC001046029937 766695864 /nfs/dbraw/zinc/69/58/64/766695864.db2.gz GJDUDRIYHBVTBK-HZPDHXFCSA-N 1 2 342.447 0.572 20 30 ECEDLO Cc1cnccc1CC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046030180 766696652 /nfs/dbraw/zinc/69/66/52/766696652.db2.gz LCJMTSNTKMDXGC-KRWDZBQOSA-N 1 2 327.432 0.675 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3ccnn3C3CCC3)CC2)C1 ZINC001046030142 766697180 /nfs/dbraw/zinc/69/71/80/766697180.db2.gz KIXQZLVRDTZMEO-INIZCTEOSA-N 1 2 342.447 0.964 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cn(C4CCC4)nn3)CC2)C1 ZINC001046030415 766697914 /nfs/dbraw/zinc/69/79/14/766697914.db2.gz QXSQXTIDNZLHEA-OAHLLOKOSA-N 1 2 343.435 0.359 20 30 ECEDLO Cc1ccn(C[C@@H](C)C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)n1 ZINC001046032351 766703978 /nfs/dbraw/zinc/70/39/78/766703978.db2.gz BQCFTNGBKIWDEU-NVXWUHKLSA-N 1 2 344.463 0.570 20 30 ECEDLO CCc1cccnc1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046040798 766749093 /nfs/dbraw/zinc/74/90/93/766749093.db2.gz LEVKJEIGULNZTA-MRXNPFEDSA-N 1 2 327.432 1.000 20 30 ECEDLO CCCc1n[nH]cc1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046040726 766749417 /nfs/dbraw/zinc/74/94/17/766749417.db2.gz HYKGOIBTIQZWSD-CQSZACIVSA-N 1 2 330.436 0.718 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)C1 ZINC001046042608 766756572 /nfs/dbraw/zinc/75/65/72/766756572.db2.gz KANBIRAYTMSCEK-AWEZNQCLSA-N 1 2 342.447 0.644 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(OC2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000994801774 766846694 /nfs/dbraw/zinc/84/66/94/766846694.db2.gz OORKYFREYGKPEV-ZDUSSCGKSA-N 1 2 345.403 0.261 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(OC2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000994801772 766846853 /nfs/dbraw/zinc/84/68/53/766846853.db2.gz OORKYFREYGKPEV-CYBMUJFWSA-N 1 2 345.403 0.261 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cc(C4CC4)n[nH]3)CC2)C1 ZINC001046066684 766855970 /nfs/dbraw/zinc/85/59/70/766855970.db2.gz GYTDUILLHYZNPB-AWEZNQCLSA-N 1 2 328.420 0.643 20 30 ECEDLO C[C@H](C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1)c1cccnc1 ZINC001046076791 766905568 /nfs/dbraw/zinc/90/55/68/766905568.db2.gz PZNMZCPGXYXAOK-DOTOQJQBSA-N 1 2 327.432 0.927 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC001046085068 766926089 /nfs/dbraw/zinc/92/60/89/766926089.db2.gz DNZMMAPQDNZBJS-ZBFHGGJFSA-N 1 2 342.447 0.257 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc3[nH]cnc3c1)CO2 ZINC001053819831 766931323 /nfs/dbraw/zinc/93/13/23/766931323.db2.gz KAAHUQWKUBNKPL-ZDUSSCGKSA-N 1 2 325.372 0.554 20 30 ECEDLO C[C@H](C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1)C1CCOCC1 ZINC001046089907 766932147 /nfs/dbraw/zinc/93/21/47/766932147.db2.gz LDCGWBWAMMGLJA-DOTOQJQBSA-N 1 2 334.464 0.791 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)c2c(C)nn(C)c2C)C1=O ZINC001038569747 766938628 /nfs/dbraw/zinc/93/86/28/766938628.db2.gz UWJMPEIARTYEHD-LSDHHAIUSA-N 1 2 345.447 0.628 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)c2c(C)nn(C)c2C)C1=O ZINC001038569747 766938633 /nfs/dbraw/zinc/93/86/33/766938633.db2.gz UWJMPEIARTYEHD-LSDHHAIUSA-N 1 2 345.447 0.628 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc3n[nH]nc3c1)CO2 ZINC001053830747 766963648 /nfs/dbraw/zinc/96/36/48/766963648.db2.gz KTIBCLMOLFZAIL-LBPRGKRZSA-N 1 2 328.376 0.502 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCn3ccnc3C1)CO2 ZINC001053852693 767025164 /nfs/dbraw/zinc/02/51/64/767025164.db2.gz ORQKXCFTJDEEFO-CABCVRRESA-N 1 2 328.416 0.428 20 30 ECEDLO C=C(C)CN1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3c[nH+]cn3C1)CO2 ZINC001053853154 767025647 /nfs/dbraw/zinc/02/56/47/767025647.db2.gz XZOLTTCUSJSGQV-CABCVRRESA-N 1 2 330.432 0.981 20 30 ECEDLO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(=O)c(OC)co1)CO2 ZINC001053871515 767091522 /nfs/dbraw/zinc/09/15/22/767091522.db2.gz GIMRYRMBARVCCR-GFCCVEGCSA-N 1 2 334.372 0.798 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2COCCN2C)C1 ZINC001046248554 767108343 /nfs/dbraw/zinc/10/83/43/767108343.db2.gz PIWUBOCAYLBCTP-TZMCWYRMSA-N 1 2 346.269 0.806 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2COCCN2C)C1 ZINC001046248554 767108344 /nfs/dbraw/zinc/10/83/44/767108344.db2.gz PIWUBOCAYLBCTP-TZMCWYRMSA-N 1 2 346.269 0.806 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CCCNC3=O)C2)c(F)c1 ZINC001031748791 767141833 /nfs/dbraw/zinc/14/18/33/767141833.db2.gz IOPDFCHCGWMUCQ-HNNXBMFYSA-N 1 2 344.390 0.772 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CS(C)(=O)=O ZINC001089781695 767167732 /nfs/dbraw/zinc/16/77/32/767167732.db2.gz OGOQWDUECJCRAR-FQUUOJAGSA-N 1 2 346.880 0.952 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CS(C)(=O)=O ZINC001089781695 767167733 /nfs/dbraw/zinc/16/77/33/767167733.db2.gz OGOQWDUECJCRAR-FQUUOJAGSA-N 1 2 346.880 0.952 20 30 ECEDLO C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001046375764 767179359 /nfs/dbraw/zinc/17/93/59/767179359.db2.gz FSVVDYKZAIKXFG-ZDUSSCGKSA-N 1 2 346.431 0.875 20 30 ECEDLO C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001046376695 767180705 /nfs/dbraw/zinc/18/07/05/767180705.db2.gz WXHWMLKJJFPSDS-LBPRGKRZSA-N 1 2 332.404 0.485 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)C(C)C)[C@H](OC)C1 ZINC001212327892 767226137 /nfs/dbraw/zinc/22/61/37/767226137.db2.gz WOHMKWRXIZONII-RBSFLKMASA-N 1 2 337.464 0.622 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(C)C)[C@H](OC)C1 ZINC001212327892 767226138 /nfs/dbraw/zinc/22/61/38/767226138.db2.gz WOHMKWRXIZONII-RBSFLKMASA-N 1 2 337.464 0.622 20 30 ECEDLO C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046583607 767330730 /nfs/dbraw/zinc/33/07/30/767330730.db2.gz AAQKYVZXFXDOGO-YOEHRIQHSA-N 1 2 345.378 0.459 20 30 ECEDLO C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046583607 767330734 /nfs/dbraw/zinc/33/07/34/767330734.db2.gz AAQKYVZXFXDOGO-YOEHRIQHSA-N 1 2 345.378 0.459 20 30 ECEDLO C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046583606 767330871 /nfs/dbraw/zinc/33/08/71/767330871.db2.gz AAQKYVZXFXDOGO-WMLDXEAASA-N 1 2 345.378 0.459 20 30 ECEDLO C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046583606 767330876 /nfs/dbraw/zinc/33/08/76/767330876.db2.gz AAQKYVZXFXDOGO-WMLDXEAASA-N 1 2 345.378 0.459 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccnc3c1ncn3C)CO2 ZINC001053921788 767365218 /nfs/dbraw/zinc/36/52/18/767365218.db2.gz NTDHQMPUNKLSSC-CYBMUJFWSA-N 1 2 339.399 0.565 20 30 ECEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1ccc2nnnn2c1 ZINC001031844197 767370012 /nfs/dbraw/zinc/37/00/12/767370012.db2.gz DFAQTDFPAJRIBB-UHFFFAOYSA-N 1 2 346.394 0.838 20 30 ECEDLO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C ZINC001106154736 767391623 /nfs/dbraw/zinc/39/16/23/767391623.db2.gz JOQJOWLGSYJWJX-FOGDFJRCSA-N 1 2 337.317 0.320 20 30 ECEDLO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1C ZINC001106154736 767391636 /nfs/dbraw/zinc/39/16/36/767391636.db2.gz JOQJOWLGSYJWJX-FOGDFJRCSA-N 1 2 337.317 0.320 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1c(C)c[nH]c1CC(N)=O)CO2 ZINC001053934642 767396061 /nfs/dbraw/zinc/39/60/61/767396061.db2.gz SJQNEOHHIBTRGV-ZDUSSCGKSA-N 1 2 346.431 0.500 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC(=O)N(CCC)C1)CO2 ZINC001053940605 767409386 /nfs/dbraw/zinc/40/93/86/767409386.db2.gz ICARUKMLNREBDL-CABCVRRESA-N 1 2 335.448 0.781 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@H]2COC3(C[NH+](CCOC)C3)C2)cc1 ZINC001053945949 767423036 /nfs/dbraw/zinc/42/30/36/767423036.db2.gz KBQFXSWCSOKCJY-MRXNPFEDSA-N 1 2 344.411 0.918 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)cc1 ZINC001053945771 767423318 /nfs/dbraw/zinc/42/33/18/767423318.db2.gz GRCJDWOMYVFGRJ-HNNXBMFYSA-N 1 2 330.384 0.264 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)C2CC(NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001016998148 767451373 /nfs/dbraw/zinc/45/13/73/767451373.db2.gz BQYODFZEJUYXMA-UHFFFAOYSA-N 1 2 337.383 0.679 20 30 ECEDLO C=CCn1cc(C(=O)N[C@]2(C)CC[N@@H+](Cc3cc(OC)no3)C2)nn1 ZINC001046680921 767470147 /nfs/dbraw/zinc/47/01/47/767470147.db2.gz IKIXISTZIWBFEF-MRXNPFEDSA-N 1 2 346.391 0.855 20 30 ECEDLO C=CCn1cc(C(=O)N[C@]2(C)CC[N@H+](Cc3cc(OC)no3)C2)nn1 ZINC001046680921 767470151 /nfs/dbraw/zinc/47/01/51/767470151.db2.gz IKIXISTZIWBFEF-MRXNPFEDSA-N 1 2 346.391 0.855 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)CN1CCCCCC1=O)CO2 ZINC001054001817 767566559 /nfs/dbraw/zinc/56/65/59/767566559.db2.gz LBYODIIUFKFSSH-OAHLLOKOSA-N 1 2 335.448 0.925 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc3n[nH]c(C)c3c1)CO2 ZINC001054010791 767592977 /nfs/dbraw/zinc/59/29/77/767592977.db2.gz YSCIXJYSAPXWPZ-CQSZACIVSA-N 1 2 339.399 0.863 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1noc3c1COCC3)CO2 ZINC001054015049 767602956 /nfs/dbraw/zinc/60/29/56/767602956.db2.gz XRWNDOYRFHUROT-GFCCVEGCSA-N 1 2 331.372 0.344 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc3nnn(C)c31)CO2 ZINC001054026974 767629810 /nfs/dbraw/zinc/62/98/10/767629810.db2.gz IRHVLENDTNQMAQ-ZDUSSCGKSA-N 1 2 339.399 0.565 20 30 ECEDLO CCc1nc(C#N)cc(N2C[C@@H](C)[C@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001042037830 782651958 /nfs/dbraw/zinc/65/19/58/782651958.db2.gz XLGBFNIMZRAOJS-TZMCWYRMSA-N 1 2 339.403 0.748 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccc(=O)[nH]c3)C2)nn1 ZINC001098780595 767802068 /nfs/dbraw/zinc/80/20/68/767802068.db2.gz XJZXHPODNHYEJT-CQSZACIVSA-N 1 2 326.360 0.189 20 30 ECEDLO C=CCOCCCC(=O)N1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001055271395 768727582 /nfs/dbraw/zinc/72/75/82/768727582.db2.gz JJJOAIVQNFBCRR-GASCZTMLSA-N 1 2 346.431 0.852 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]2C1 ZINC001055324726 768782976 /nfs/dbraw/zinc/78/29/76/768782976.db2.gz DVGYKZQPXFFHLY-IYBDPMFKSA-N 1 2 342.443 0.929 20 30 ECEDLO CCN(CCNc1ccnc(C#N)n1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001106798173 769015349 /nfs/dbraw/zinc/01/53/49/769015349.db2.gz QQJGXKMHBIKIMD-UHFFFAOYSA-N 1 2 346.435 0.141 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CN2CCOCC2=O)[C@@H]1C ZINC000993425545 769048351 /nfs/dbraw/zinc/04/83/51/769048351.db2.gz OWNIXJIHBSGKLD-STQMWFEESA-N 1 2 329.828 0.567 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CN2CCOCC2=O)[C@@H]1C ZINC000993425545 769048361 /nfs/dbraw/zinc/04/83/61/769048361.db2.gz OWNIXJIHBSGKLD-STQMWFEESA-N 1 2 329.828 0.567 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CN2CCOCC2=O)[C@H]1C ZINC000993425537 769048580 /nfs/dbraw/zinc/04/85/80/769048580.db2.gz OWNIXJIHBSGKLD-OLZOCXBDSA-N 1 2 329.828 0.567 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CN2CCOCC2=O)[C@H]1C ZINC000993425537 769048589 /nfs/dbraw/zinc/04/85/89/769048589.db2.gz OWNIXJIHBSGKLD-OLZOCXBDSA-N 1 2 329.828 0.567 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@@H]3CCCOC3)C2)CC1 ZINC001018353806 769168386 /nfs/dbraw/zinc/16/83/86/769168386.db2.gz GIQFEUQZUSPXQM-DLBZAZTESA-N 1 2 349.475 0.982 20 30 ECEDLO C=C[C@H](CC)CC(=O)NC1CC[NH+](CCNC(=O)c2cn[nH]n2)CC1 ZINC001055597104 769217228 /nfs/dbraw/zinc/21/72/28/769217228.db2.gz MJFJAXYXGTWVKN-CYBMUJFWSA-N 1 2 348.451 0.717 20 30 ECEDLO C=C[C@H](CC)CC(=O)NC1CC[NH+](CCNC(=O)c2cnn[nH]2)CC1 ZINC001055597104 769217237 /nfs/dbraw/zinc/21/72/37/769217237.db2.gz MJFJAXYXGTWVKN-CYBMUJFWSA-N 1 2 348.451 0.717 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)CC1 ZINC001018368859 769221243 /nfs/dbraw/zinc/22/12/43/769221243.db2.gz HXEYNYGCENAJID-NCOADZHNSA-N 1 2 347.459 0.448 20 30 ECEDLO C=CCC(C)(C)C(=O)NC1CC[NH+](CCNC(=O)c2ncn[nH]2)CC1 ZINC001055615440 769263316 /nfs/dbraw/zinc/26/33/16/769263316.db2.gz VBHSRYWSNKDYAM-UHFFFAOYSA-N 1 2 348.451 0.717 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3[nH]cnc3C)C2)CC1 ZINC001018388812 769272344 /nfs/dbraw/zinc/27/23/44/769272344.db2.gz RCWATUVFEXZYLI-OAHLLOKOSA-N 1 2 345.447 0.901 20 30 ECEDLO C#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001055913137 770192560 /nfs/dbraw/zinc/19/25/60/770192560.db2.gz WNFBREJYUAGMES-QGZVFWFLSA-N 1 2 332.404 0.156 20 30 ECEDLO N#Cc1nccc(N2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)n1 ZINC001055941181 770302892 /nfs/dbraw/zinc/30/28/92/770302892.db2.gz ZWDFZPJLNGYKGL-CYBMUJFWSA-N 1 2 337.387 0.456 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@H]1C ZINC000994381726 770699858 /nfs/dbraw/zinc/69/98/58/770699858.db2.gz YPRVTYQMYNAARU-VXGBXAGGSA-N 1 2 327.812 0.857 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@H]1C ZINC000994381726 770699862 /nfs/dbraw/zinc/69/98/62/770699862.db2.gz YPRVTYQMYNAARU-VXGBXAGGSA-N 1 2 327.812 0.857 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N1CC2(C1)CCN(C(=O)[C@H](C)C#N)C2 ZINC001019149011 770930174 /nfs/dbraw/zinc/93/01/74/770930174.db2.gz JOQYWNASDFGHQE-CYBMUJFWSA-N 1 2 342.399 0.853 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC(C)(C)C2CC2)[C@H](OC)C1 ZINC001212226315 770935615 /nfs/dbraw/zinc/93/56/15/770935615.db2.gz ZDEGGOXWRGMWRH-HUUCEWRRSA-N 1 2 337.464 0.930 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC(C)(C)C2CC2)[C@H](OC)C1 ZINC001212226315 770935619 /nfs/dbraw/zinc/93/56/19/770935619.db2.gz ZDEGGOXWRGMWRH-HUUCEWRRSA-N 1 2 337.464 0.930 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC[C@@H]3C)C[C@@H]2O)C1 ZINC001083756294 770972385 /nfs/dbraw/zinc/97/23/85/770972385.db2.gz MUQHEWCFSLCOEZ-XHSDSOJGSA-N 1 2 349.475 0.905 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC[C@@H]3C)C[C@@H]2O)C1 ZINC001083756294 770972393 /nfs/dbraw/zinc/97/23/93/770972393.db2.gz MUQHEWCFSLCOEZ-XHSDSOJGSA-N 1 2 349.475 0.905 20 30 ECEDLO C#CCCCC(=O)N1CCC[C@](CO)(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001056165303 770972432 /nfs/dbraw/zinc/97/24/32/770972432.db2.gz TVXSMSOFSFQSHC-KRWDZBQOSA-N 1 2 332.404 0.225 20 30 ECEDLO C=CCCCC(=O)N1CCC[C@@](CO)(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001056166037 770974688 /nfs/dbraw/zinc/97/46/88/770974688.db2.gz YJTHFHXLCNPAHC-QGZVFWFLSA-N 1 2 334.420 0.778 20 30 ECEDLO N#Cc1cnccc1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001056327161 771130923 /nfs/dbraw/zinc/13/09/23/771130923.db2.gz QCBXCOACDTTYEZ-ANRZDRKOSA-N 1 2 348.410 0.963 20 30 ECEDLO N#Cc1cccnc1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001056330595 771136827 /nfs/dbraw/zinc/13/68/27/771136827.db2.gz UEQCFZUXUGJMAU-LJIGWXMPSA-N 1 2 348.410 0.963 20 30 ECEDLO N#Cc1cnc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCn3cc[nH+]c3C2)cn1 ZINC001056333159 771139006 /nfs/dbraw/zinc/13/90/06/771139006.db2.gz GLDIVAYIZXUNFU-HVOFVXBASA-N 1 2 349.398 0.358 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC(C)(C)C2CC2)[C@H](OC)C1 ZINC001212233729 771151734 /nfs/dbraw/zinc/15/17/34/771151734.db2.gz FZKOKSUNDUXTMI-FVQBIDKESA-N 1 2 349.475 0.766 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC(C)(C)C2CC2)[C@H](OC)C1 ZINC001212233729 771151735 /nfs/dbraw/zinc/15/17/35/771151735.db2.gz FZKOKSUNDUXTMI-FVQBIDKESA-N 1 2 349.475 0.766 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H]([NH2+]Cc3nc(COC)no3)C2)c1 ZINC001019356806 771197180 /nfs/dbraw/zinc/19/71/80/771197180.db2.gz GTCJLTDCFGIYJW-AWEZNQCLSA-N 1 2 341.371 0.597 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cncc(C#N)n3)C[C@H]21 ZINC001056410317 771241759 /nfs/dbraw/zinc/24/17/59/771241759.db2.gz JFQDVQHAVDEOJS-MAKQCAJESA-N 1 2 349.398 0.436 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001056456055 771287052 /nfs/dbraw/zinc/28/70/52/771287052.db2.gz LPODBJLKMJNACH-RKVPGOIHSA-N 1 2 346.431 0.802 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nc(C4CC4)no3)C2)nn1 ZINC001019483507 771346828 /nfs/dbraw/zinc/34/68/28/771346828.db2.gz RZXYZDPCFJAJCF-LBPRGKRZSA-N 1 2 343.391 0.729 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060732188 771357353 /nfs/dbraw/zinc/35/73/53/771357353.db2.gz AUQSUMRCXJIXGU-SHTZXODSSA-N 1 2 346.431 0.783 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001060733811 771372683 /nfs/dbraw/zinc/37/26/83/771372683.db2.gz ZEGKLTGBONKGPW-BZUAXINKSA-N 1 2 346.431 0.713 20 30 ECEDLO CN(CCOCCNc1ccncc1C#N)C(=O)Cc1c[nH+]c[nH]1 ZINC001127504845 771379674 /nfs/dbraw/zinc/37/96/74/771379674.db2.gz DEEOHMLURHNNHJ-UHFFFAOYSA-N 1 2 328.376 0.228 20 30 ECEDLO Cc1nc(N(C)C)nc(N[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)[nH+]1 ZINC001056594662 771415135 /nfs/dbraw/zinc/41/51/35/771415135.db2.gz QLUOKSQIGOKZHC-GFCCVEGCSA-N 1 2 340.391 0.772 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC(NC(=O)[C@H]3CCn4cc[nH+]c4C3)C2)c1 ZINC000994616852 771440498 /nfs/dbraw/zinc/44/04/98/771440498.db2.gz SOFIMVQXLXQONC-AWEZNQCLSA-N 1 2 349.394 0.463 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC1CN(C(=O)C#CC3CC3)C1)C2 ZINC000994623829 771477949 /nfs/dbraw/zinc/47/79/49/771477949.db2.gz HCGKISSQCAJRAN-CYBMUJFWSA-N 1 2 326.400 0.563 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NC1CN(C(=O)C#CC3CC3)C1)CC2 ZINC000994623829 771477955 /nfs/dbraw/zinc/47/79/55/771477955.db2.gz HCGKISSQCAJRAN-CYBMUJFWSA-N 1 2 326.400 0.563 20 30 ECEDLO C=CCCOCC(=O)N1CCC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001056680594 771507384 /nfs/dbraw/zinc/50/73/84/771507384.db2.gz SWSIETYVCIRTNS-LSDHHAIUSA-N 1 2 346.431 0.994 20 30 ECEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001031624616 771512923 /nfs/dbraw/zinc/51/29/23/771512923.db2.gz ZSOSWCQKXCUTBQ-LBPRGKRZSA-N 1 2 343.431 0.995 20 30 ECEDLO N#Cc1ccc(N[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)nn1 ZINC001056724939 771559811 /nfs/dbraw/zinc/55/98/11/771559811.db2.gz TZEMNDGXSHJASD-GXTWGEPZSA-N 1 2 337.387 0.820 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H](n2cc(C[NH2+][C@H]3CCNC3=O)nn2)C1 ZINC001089585615 771589678 /nfs/dbraw/zinc/58/96/78/771589678.db2.gz APJYYDNBKXMXIV-KGLIPLIRSA-N 1 2 346.435 0.242 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001056837600 771706113 /nfs/dbraw/zinc/70/61/13/771706113.db2.gz LDECCKGQSJUNRZ-GFCCVEGCSA-N 1 2 325.376 0.149 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)C1 ZINC001056837712 771706181 /nfs/dbraw/zinc/70/61/81/771706181.db2.gz OZPNFMKEWKYVSV-GFCCVEGCSA-N 1 2 325.376 0.727 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](N(C)c2cncc(C#N)n2)C1 ZINC001056949622 771853630 /nfs/dbraw/zinc/85/36/30/771853630.db2.gz QIDIOMGFOMSUIT-CYBMUJFWSA-N 1 2 325.376 0.660 20 30 ECEDLO O=C(C#CC1CC1)N1CCO[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001019894020 771981357 /nfs/dbraw/zinc/98/13/57/771981357.db2.gz QQHIGRVEJUBIGM-CVEARBPZSA-N 1 2 342.399 0.125 20 30 ECEDLO C=CCCC(=O)N(CCO)CCNC(=O)Cc1c[nH+]ccc1OC ZINC001057175015 772216346 /nfs/dbraw/zinc/21/63/46/772216346.db2.gz QYBIPCNGKSEGIK-UHFFFAOYSA-N 1 2 335.404 0.536 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)CCc1[nH]cc[nH+]1 ZINC001057459899 772645976 /nfs/dbraw/zinc/64/59/76/772645976.db2.gz PEEDGQKALIZZQX-ZIAGYGMSSA-N 1 2 336.436 0.738 20 30 ECEDLO Cc1cc(C#N)nc(N2CCC(NC(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001057880463 773121535 /nfs/dbraw/zinc/12/15/35/773121535.db2.gz CODOCCHUGZULRY-UHFFFAOYSA-N 1 2 325.376 0.638 20 30 ECEDLO C=CCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001057947040 773250949 /nfs/dbraw/zinc/25/09/49/773250949.db2.gz OVOQUZVHJKPKJP-CQSZACIVSA-N 1 2 334.420 0.349 20 30 ECEDLO CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001057968918 773307183 /nfs/dbraw/zinc/30/71/83/773307183.db2.gz UEKBLXAWXYAAQX-ZIAGYGMSSA-N 1 2 332.404 0.110 20 30 ECEDLO CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001057968918 773307175 /nfs/dbraw/zinc/30/71/75/773307175.db2.gz UEKBLXAWXYAAQX-ZIAGYGMSSA-N 1 2 332.404 0.110 20 30 ECEDLO O=C(C#CC1CC1)NCCN(CCO)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001058035113 773396199 /nfs/dbraw/zinc/39/61/99/773396199.db2.gz SQOWYKQYNMUNMU-UHFFFAOYSA-N 1 2 340.383 0.527 20 30 ECEDLO CC#CCCCC(=O)NCCN(CCO)C(=O)Cc1c[nH+]cn1C ZINC001058159442 773663714 /nfs/dbraw/zinc/66/37/14/773663714.db2.gz JCEIKLJMVPATQS-UHFFFAOYSA-N 1 2 334.420 0.093 20 30 ECEDLO CC(C)(C(=O)N(CCO)CCNC(=O)C#CC1CC1)c1c[nH+]c[nH]1 ZINC001058160692 773666674 /nfs/dbraw/zinc/66/66/74/773666674.db2.gz GYGJWYPDODOKPT-UHFFFAOYSA-N 1 2 332.404 0.038 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCN(c2cncc(C#N)n2)C1 ZINC001058181881 773719847 /nfs/dbraw/zinc/71/98/47/773719847.db2.gz KOQNTMGWJQZNEK-LBPRGKRZSA-N 1 2 325.376 0.708 20 30 ECEDLO C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)Cc1[nH]c[nH+]c1C ZINC001058263400 773873417 /nfs/dbraw/zinc/87/34/17/773873417.db2.gz JECBOWJDIWFUFT-UHFFFAOYSA-N 1 2 336.436 0.800 20 30 ECEDLO C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)Cc1[nH]c[nH+]c1C ZINC001058263646 773874398 /nfs/dbraw/zinc/87/43/98/773874398.db2.gz UFJBKSBGOBLVPR-UHFFFAOYSA-N 1 2 336.436 0.800 20 30 ECEDLO C=C[C@H](CC)CC(=O)NC[C@]1(O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001040630195 783136089 /nfs/dbraw/zinc/13/60/89/783136089.db2.gz QSLLVLNVTKFUDJ-RHSMWYFYSA-N 1 2 334.420 0.565 20 30 ECEDLO N#Cc1nccnc1N1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001058481214 774272287 /nfs/dbraw/zinc/27/22/87/774272287.db2.gz MBKLFUCQMGREEI-QWHCGFSZSA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1cnc(N2CC[C@H](NC(=O)[C@H]3CCn4cc[nH+]c4C3)C2)cn1 ZINC001058481397 774272379 /nfs/dbraw/zinc/27/23/79/774272379.db2.gz QUHDHQMDZSETCQ-STQMWFEESA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1cncc(N2CC[C@@H](NC(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)n1 ZINC001058481668 774273792 /nfs/dbraw/zinc/27/37/92/774273792.db2.gz XFNYOYUIAUGXET-CHWSQXEVSA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)nn1 ZINC001058541848 774394441 /nfs/dbraw/zinc/39/44/41/774394441.db2.gz VFNVBMPKIKQSMD-STQMWFEESA-N 1 2 337.387 0.886 20 30 ECEDLO N#Cc1nccnc1N1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001058541632 774394609 /nfs/dbraw/zinc/39/46/09/774394609.db2.gz POUQWEHUBXXWOA-VXGBXAGGSA-N 1 2 337.387 0.886 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)NCCN(CCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001058547517 774410553 /nfs/dbraw/zinc/41/05/53/774410553.db2.gz KMFAWTULDIPVQT-UHFFFAOYSA-N 1 2 342.827 0.668 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC001058590852 774493377 /nfs/dbraw/zinc/49/33/77/774493377.db2.gz PBKFPZGAYVQHGU-MRVWCRGKSA-N 1 2 337.387 0.878 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)n1 ZINC001058590852 774493380 /nfs/dbraw/zinc/49/33/80/774493380.db2.gz PBKFPZGAYVQHGU-MRVWCRGKSA-N 1 2 337.387 0.878 20 30 ECEDLO C=CC[NH2+][C@@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H](C)C1 ZINC001044778572 774602254 /nfs/dbraw/zinc/60/22/54/774602254.db2.gz ZQERHLWHERMUIF-VXGBXAGGSA-N 1 2 330.392 0.226 20 30 ECEDLO C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1CNc1ccnc(C#N)n1 ZINC001039870681 783209199 /nfs/dbraw/zinc/20/91/99/783209199.db2.gz ISEIGNOKYRGMBK-KGLIPLIRSA-N 1 2 339.403 0.563 20 30 ECEDLO N#Cc1nccc(N2CC[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)n1 ZINC001045062561 774917973 /nfs/dbraw/zinc/91/79/73/774917973.db2.gz RWUOXMNFZUIMHT-KBPBESRZSA-N 1 2 337.387 0.672 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@H]2C[NH2+]Cc2cnsn2)nn1 ZINC001045231913 775188871 /nfs/dbraw/zinc/18/88/71/775188871.db2.gz HGTOVEDOBHYWFD-LBPRGKRZSA-N 1 2 333.421 0.710 20 30 ECEDLO Cc1nc(N2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)c(C)c(C)[nH+]1 ZINC001043907167 775277902 /nfs/dbraw/zinc/27/79/02/775277902.db2.gz HWTPNMAXSRERDF-CABCVRRESA-N 1 2 340.387 0.581 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(F)F)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001070023112 790358963 /nfs/dbraw/zinc/35/89/63/790358963.db2.gz BUKALMHEUXRADI-OLZOCXBDSA-N 1 2 349.345 0.617 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C(F)F)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001070023112 790358974 /nfs/dbraw/zinc/35/89/74/790358974.db2.gz BUKALMHEUXRADI-OLZOCXBDSA-N 1 2 349.345 0.617 20 30 ECEDLO C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001044011672 775510711 /nfs/dbraw/zinc/51/07/11/775510711.db2.gz TWCRHWXASHSFOO-UHFFFAOYSA-N 1 2 346.431 0.421 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001044014600 775519268 /nfs/dbraw/zinc/51/92/68/775519268.db2.gz IFDGOTUKFZNZKW-UHFFFAOYSA-N 1 2 332.404 0.008 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001044014760 775520101 /nfs/dbraw/zinc/52/01/01/775520101.db2.gz IWWUXVGCNRWHBU-UHFFFAOYSA-N 1 2 334.420 0.254 20 30 ECEDLO CC1(NC(=O)c2ccc(C#N)[nH]2)CC[NH+](CCS(C)(=O)=O)CC1 ZINC001045410089 775556176 /nfs/dbraw/zinc/55/61/76/775556176.db2.gz DWQHKMFAWXGHMS-UHFFFAOYSA-N 1 2 338.433 0.515 20 30 ECEDLO C=CCCCC(=O)NCC1(O)CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001045462292 775645489 /nfs/dbraw/zinc/64/54/89/775645489.db2.gz DBFPUZNUHURIER-UHFFFAOYSA-N 1 2 334.420 0.709 20 30 ECEDLO N#Cc1c(F)cccc1N1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001044117543 775727637 /nfs/dbraw/zinc/72/76/37/775727637.db2.gz KLDHSPXUOGMQMD-OCCSQVGLSA-N 1 2 329.335 0.329 20 30 ECEDLO CC(C)C[C@H](C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1)n1cc[nH+]c1 ZINC001045552995 775785167 /nfs/dbraw/zinc/78/51/67/775785167.db2.gz ZBHXBWOQDGCHLB-ZIAGYGMSSA-N 1 2 347.419 0.319 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](C[C@@H]3CCc4ncnn43)C2)nc1 ZINC001044202796 775912719 /nfs/dbraw/zinc/91/27/19/775912719.db2.gz DTXHBZBBMVJBAN-AWEZNQCLSA-N 1 2 336.399 0.598 20 30 ECEDLO C#CCCCCCC(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001044485270 776349116 /nfs/dbraw/zinc/34/91/16/776349116.db2.gz ZFZYAOGVBOYLDH-UHFFFAOYSA-N 1 2 332.404 0.156 20 30 ECEDLO CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001079741756 776785847 /nfs/dbraw/zinc/78/58/47/776785847.db2.gz ULWDVVWGTRNOOP-HNNXBMFYSA-N 1 2 340.427 0.918 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ncoc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070069637 790501375 /nfs/dbraw/zinc/50/13/75/790501375.db2.gz QOOIRSNLJPLBDU-OLZOCXBDSA-N 1 2 328.376 0.985 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ncoc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070069637 790501382 /nfs/dbraw/zinc/50/13/82/790501382.db2.gz QOOIRSNLJPLBDU-OLZOCXBDSA-N 1 2 328.376 0.985 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3c([nH]2)CCCC3)[C@@H](n2ccnn2)C1 ZINC001070070716 790503420 /nfs/dbraw/zinc/50/34/20/790503420.db2.gz QDQRZEUBIWKQLO-SJORKVTESA-N 1 2 338.415 0.774 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3c([nH]2)CCCC3)[C@@H](n2ccnn2)C1 ZINC001070070716 790503427 /nfs/dbraw/zinc/50/34/27/790503427.db2.gz QDQRZEUBIWKQLO-SJORKVTESA-N 1 2 338.415 0.774 20 30 ECEDLO CCN(C(=O)Cc1cn2c([nH+]1)CCCC2)C1CN(C(=O)[C@@H](C)C#N)C1 ZINC001079901581 777048650 /nfs/dbraw/zinc/04/86/50/777048650.db2.gz RVYNZDBDLRAGBP-ZDUSSCGKSA-N 1 2 343.431 0.981 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001079982662 777191020 /nfs/dbraw/zinc/19/10/20/777191020.db2.gz IICBMBWIFXSEKS-AWEZNQCLSA-N 1 2 334.420 0.924 20 30 ECEDLO CCN(C(=O)Cc1c[nH+]cn1C)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001080141920 777455203 /nfs/dbraw/zinc/45/52/03/777455203.db2.gz YALHWSUAZVGBIK-UHFFFAOYSA-N 1 2 340.387 0.535 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)Cc2c[nH+]cn2C)C1 ZINC001080142692 777457185 /nfs/dbraw/zinc/45/71/85/777457185.db2.gz DZRMPWOFGMLYHF-CYBMUJFWSA-N 1 2 334.420 0.613 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)CCn2cc[nH+]c2)C1 ZINC001080167968 777492969 /nfs/dbraw/zinc/49/29/69/777492969.db2.gz JWTUNIRVIGDSGD-CQSZACIVSA-N 1 2 332.404 0.371 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001080199408 777543521 /nfs/dbraw/zinc/54/35/21/777543521.db2.gz ABLOVPUAAATXEX-ZBFHGGJFSA-N 1 2 346.431 0.911 20 30 ECEDLO C#CCOCCC(=O)N1CC(N(CC)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001080199893 777544954 /nfs/dbraw/zinc/54/49/54/777544954.db2.gz TXJRQHMVRZPOJD-UHFFFAOYSA-N 1 2 332.404 0.360 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080281109 777641291 /nfs/dbraw/zinc/64/12/91/777641291.db2.gz OZIAZMOQUNRQKW-BXUZGUMPSA-N 1 2 325.376 0.332 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080281109 777641297 /nfs/dbraw/zinc/64/12/97/777641297.db2.gz OZIAZMOQUNRQKW-BXUZGUMPSA-N 1 2 325.376 0.332 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001043225678 777998755 /nfs/dbraw/zinc/99/87/55/777998755.db2.gz AYQVPFBISBJJAC-GFCCVEGCSA-N 1 2 334.420 0.490 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001043225678 777998759 /nfs/dbraw/zinc/99/87/59/777998759.db2.gz AYQVPFBISBJJAC-GFCCVEGCSA-N 1 2 334.420 0.490 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2nnnc2C(C)C)C1 ZINC001080581474 778086613 /nfs/dbraw/zinc/08/66/13/778086613.db2.gz RPQMJDNKTDDCCO-ZYHUDNBSSA-N 1 2 326.832 0.986 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2nnnc2C(C)C)C1 ZINC001080581474 778086625 /nfs/dbraw/zinc/08/66/25/778086625.db2.gz RPQMJDNKTDDCCO-ZYHUDNBSSA-N 1 2 326.832 0.986 20 30 ECEDLO CC(C)C#CC(=O)NC[C@@H]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)O1 ZINC001068571723 790603886 /nfs/dbraw/zinc/60/38/86/790603886.db2.gz TZCVHNQQVYANBR-HNNXBMFYSA-N 1 2 344.415 0.488 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2noc3c2COCC3)[C@@H](n2ccnn2)C1 ZINC001070101564 790609368 /nfs/dbraw/zinc/60/93/68/790609368.db2.gz HUMGVPNDEKOGGU-OLZOCXBDSA-N 1 2 344.375 0.180 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2noc3c2COCC3)[C@@H](n2ccnn2)C1 ZINC001070101564 790609375 /nfs/dbraw/zinc/60/93/75/790609375.db2.gz HUMGVPNDEKOGGU-OLZOCXBDSA-N 1 2 344.375 0.180 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C(C)(C)CC)C1 ZINC001043646305 778659344 /nfs/dbraw/zinc/65/93/44/778659344.db2.gz BXPHLMZFNYSFAQ-AWEZNQCLSA-N 1 2 335.448 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/nfs/dbraw/zinc/66/72/78/781667278.db2.gz XYVHCYADZLFQON-ZIAGYGMSSA-N 1 2 326.356 0.134 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)CCc1[nH+]ccn1C ZINC001077792253 781705753 /nfs/dbraw/zinc/70/57/53/781705753.db2.gz SAAJNTNKMJXFCK-KBPBESRZSA-N 1 2 334.420 0.402 20 30 ECEDLO N#Cc1ccc(NC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CCCO2)cn1 ZINC001041536190 781722064 /nfs/dbraw/zinc/72/20/64/781722064.db2.gz WTNKDWBKNJZAFS-INIZCTEOSA-N 1 2 340.387 0.948 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3csc(C)c3)C2)C1=O ZINC001077840002 781804129 /nfs/dbraw/zinc/80/41/29/781804129.db2.gz IFGIOTYLSOXGSP-QLFBSQMISA-N 1 2 349.456 0.618 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3csc(C)c3)C2)C1=O ZINC001077840002 781804138 /nfs/dbraw/zinc/80/41/38/781804138.db2.gz IFGIOTYLSOXGSP-QLFBSQMISA-N 1 2 349.456 0.618 20 30 ECEDLO C#CCC1(C(=O)N2CC[C@@](O)(CNC(=O)Cc3[nH]cc[nH+]3)C2)CCC1 ZINC001040696364 783287506 /nfs/dbraw/zinc/28/75/06/783287506.db2.gz LKSXXXKUBQFSMW-GOSISDBHSA-N 1 2 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/nfs/dbraw/zinc/94/82/79/783948279.db2.gz MFUUMWCXKBPERD-UKRRQHHQSA-N 1 2 327.388 0.477 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1ccco1)C[C@H]2c1nnc(C)[nH]1 ZINC001070439802 784075592 /nfs/dbraw/zinc/07/55/92/784075592.db2.gz ZMCNAGONXZSDIR-ZDUSSCGKSA-N 1 2 325.372 0.881 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cc(C)on2)C1 ZINC001070903769 784084324 /nfs/dbraw/zinc/08/43/24/784084324.db2.gz PNMSYAXLBUSHBD-YUELXQCFSA-N 1 2 346.387 0.889 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cc(C)on2)C1 ZINC001070903769 784084330 /nfs/dbraw/zinc/08/43/30/784084330.db2.gz PNMSYAXLBUSHBD-YUELXQCFSA-N 1 2 346.387 0.889 20 30 ECEDLO C=CC[NH+]1CC2(C1)CN(C(=O)c1c[nH]c(C)n1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442407 784085652 /nfs/dbraw/zinc/08/56/52/784085652.db2.gz HGMXZLHVEGYFFW-CYBMUJFWSA-N 1 2 341.419 0.872 20 30 ECEDLO CC#CC[NH+]1CC2(C1)CN(C(=O)c1ccon1)C[C@H]2c1nnc(C)[nH]1 ZINC001070442686 784086534 /nfs/dbraw/zinc/08/65/34/784086534.db2.gz MPLYBVAPJOFGOB-ZDUSSCGKSA-N 1 2 340.387 0.666 20 30 ECEDLO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC001070906275 784090235 /nfs/dbraw/zinc/09/02/35/784090235.db2.gz YZSRWJWVQWPMMY-YUELXQCFSA-N 1 2 343.387 0.153 20 30 ECEDLO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC001070906275 784090243 /nfs/dbraw/zinc/09/02/43/784090243.db2.gz YZSRWJWVQWPMMY-YUELXQCFSA-N 1 2 343.387 0.153 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)Cc2ccon2)C1 ZINC001070907286 784092683 /nfs/dbraw/zinc/09/26/83/784092683.db2.gz OWKMJZNFYZRQRN-KFWWJZLASA-N 1 2 346.387 0.509 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)Cc2ccon2)C1 ZINC001070907286 784092687 /nfs/dbraw/zinc/09/26/87/784092687.db2.gz OWKMJZNFYZRQRN-KFWWJZLASA-N 1 2 346.387 0.509 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccnn2C)C1 ZINC001070907833 784093851 /nfs/dbraw/zinc/09/38/51/784093851.db2.gz ZRAOYIWGPPGVLL-CFVMTHIKSA-N 1 2 345.403 0.326 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccnn2C)C1 ZINC001070907833 784093855 /nfs/dbraw/zinc/09/38/55/784093855.db2.gz ZRAOYIWGPPGVLL-CFVMTHIKSA-N 1 2 345.403 0.326 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ocnc2C)C1 ZINC001070908802 784096720 /nfs/dbraw/zinc/09/67/20/784096720.db2.gz TUNOPIWBZLSZTG-MCIONIFRSA-N 1 2 346.387 0.889 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ocnc2C)C1 ZINC001070908802 784096723 /nfs/dbraw/zinc/09/67/23/784096723.db2.gz TUNOPIWBZLSZTG-MCIONIFRSA-N 1 2 346.387 0.889 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cncnc2)C1 ZINC001070909908 784098172 /nfs/dbraw/zinc/09/81/72/784098172.db2.gz CBPSWRQNSQOOCC-ZNMIVQPWSA-N 1 2 343.387 0.382 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cncnc2)C1 ZINC001070909908 784098175 /nfs/dbraw/zinc/09/81/75/784098175.db2.gz CBPSWRQNSQOOCC-ZNMIVQPWSA-N 1 2 343.387 0.382 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccnnc2)C1 ZINC001070919694 784115509 /nfs/dbraw/zinc/11/55/09/784115509.db2.gz QYHIZCFCPUOBHU-KFWWJZLASA-N 1 2 343.387 0.382 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccnnc2)C1 ZINC001070919694 784115515 /nfs/dbraw/zinc/11/55/15/784115515.db2.gz QYHIZCFCPUOBHU-KFWWJZLASA-N 1 2 343.387 0.382 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(C)nn2C)CC1 ZINC001070944595 784185550 /nfs/dbraw/zinc/18/55/50/784185550.db2.gz FCVKPHNSKNGCOG-UHFFFAOYSA-N 1 2 333.436 0.569 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C)nn2C)CC1 ZINC001070944595 784185555 /nfs/dbraw/zinc/18/55/55/784185555.db2.gz FCVKPHNSKNGCOG-UHFFFAOYSA-N 1 2 333.436 0.569 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[C@@H]2C(=O)OC)CC1 ZINC001070946050 784189780 /nfs/dbraw/zinc/18/97/80/784189780.db2.gz PDKURSLMONHCJT-KBPBESRZSA-N 1 2 337.420 0.022 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[C@@H]2C(=O)OC)CC1 ZINC001070946050 784189782 /nfs/dbraw/zinc/18/97/82/784189782.db2.gz PDKURSLMONHCJT-KBPBESRZSA-N 1 2 337.420 0.022 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(=O)NCC[N@@H+](CCOC2CCC2)CC1 ZINC001070946986 784192935 /nfs/dbraw/zinc/19/29/35/784192935.db2.gz DMSDRUUQKLJSPS-CQSZACIVSA-N 1 2 336.436 0.366 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(=O)NCC[N@H+](CCOC2CCC2)CC1 ZINC001070946986 784192944 /nfs/dbraw/zinc/19/29/44/784192944.db2.gz DMSDRUUQKLJSPS-CQSZACIVSA-N 1 2 336.436 0.366 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2nccc(C)n2)CC1 ZINC001070959821 784231785 /nfs/dbraw/zinc/23/17/85/784231785.db2.gz JPVSNPFFIDWCKV-UHFFFAOYSA-N 1 2 331.420 0.625 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2nccc(C)n2)CC1 ZINC001070959821 784231788 /nfs/dbraw/zinc/23/17/88/784231788.db2.gz JPVSNPFFIDWCKV-UHFFFAOYSA-N 1 2 331.420 0.625 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccnc3[nH]cnc32)CC1 ZINC001070969450 784265316 /nfs/dbraw/zinc/26/53/16/784265316.db2.gz RDWZOAQZVGRPRU-UHFFFAOYSA-N 1 2 342.403 0.408 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)c2ccnc3[nH]cnc32)CC1 ZINC001070969450 784265323 /nfs/dbraw/zinc/26/53/23/784265323.db2.gz RDWZOAQZVGRPRU-UHFFFAOYSA-N 1 2 342.403 0.408 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cnn(CCF)c2)CC1 ZINC001070976630 784292914 /nfs/dbraw/zinc/29/29/14/784292914.db2.gz KRYKXJZHOGEODM-UHFFFAOYSA-N 1 2 349.410 0.140 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cnn(CCF)c2)CC1 ZINC001070976630 784292918 /nfs/dbraw/zinc/29/29/18/784292918.db2.gz KRYKXJZHOGEODM-UHFFFAOYSA-N 1 2 349.410 0.140 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001071016000 784424007 /nfs/dbraw/zinc/42/40/07/784424007.db2.gz CZSYTJMSDGEUBW-UONOGXRCSA-N 1 2 332.404 0.108 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ccccc2O)C[C@H]1NCC#N ZINC001070624805 784453069 /nfs/dbraw/zinc/45/30/69/784453069.db2.gz JGJNJEYSWOQXFR-ZIAGYGMSSA-N 1 2 325.372 0.847 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ccc(F)cn2)C[C@H]1NCC#N ZINC001070640983 784479288 /nfs/dbraw/zinc/47/92/88/784479288.db2.gz JONGAUVDYKELBB-TZMCWYRMSA-N 1 2 328.351 0.676 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CCC([C@@H]2OCC[C@H]2NCC#N)CC1 ZINC001071074618 784520145 /nfs/dbraw/zinc/52/01/45/784520145.db2.gz QKTCLVFLPQBCJY-QAPCUYQASA-N 1 2 345.447 0.862 20 30 ECEDLO Cc1nn(C)c(F)c1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070714950 784586246 /nfs/dbraw/zinc/58/62/46/784586246.db2.gz OCRCVMRSTZWDIZ-VXGBXAGGSA-N 1 2 345.382 0.323 20 30 ECEDLO C=C(C)C[N@H+]1CC[C@]2(C1)CN(C(=O)CS(C)(=O)=O)C[C@H](C)O2 ZINC001071144640 784596923 /nfs/dbraw/zinc/59/69/23/784596923.db2.gz RJPGRWVCHWTKKW-ZFWWWQNUSA-N 1 2 330.450 0.299 20 30 ECEDLO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CS(C)(=O)=O)C[C@H](C)O2 ZINC001071144640 784596928 /nfs/dbraw/zinc/59/69/28/784596928.db2.gz RJPGRWVCHWTKKW-ZFWWWQNUSA-N 1 2 330.450 0.299 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)nn1)C[C@@H](C)O2 ZINC001071164753 784638335 /nfs/dbraw/zinc/63/83/35/784638335.db2.gz RZTQUOPMMVZEEP-DOMZBBRYSA-N 1 2 339.827 0.873 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)nn1)C[C@@H](C)O2 ZINC001071164753 784638337 /nfs/dbraw/zinc/63/83/37/784638337.db2.gz RZTQUOPMMVZEEP-DOMZBBRYSA-N 1 2 339.827 0.873 20 30 ECEDLO C=C1CCC(C(=O)N2C[C@H](C)O[C@@]3(CC[N@H+](CC(N)=O)C3)C2)CC1 ZINC001071201823 784722784 /nfs/dbraw/zinc/72/27/84/784722784.db2.gz LQWIRDZGVCFVAI-KBXCAEBGSA-N 1 2 335.448 0.910 20 30 ECEDLO C=C1CCC(C(=O)N2C[C@H](C)O[C@@]3(CC[N@@H+](CC(N)=O)C3)C2)CC1 ZINC001071201823 784722790 /nfs/dbraw/zinc/72/27/90/784722790.db2.gz LQWIRDZGVCFVAI-KBXCAEBGSA-N 1 2 335.448 0.910 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)c1nc[nH]n1)C[C@@H](C)O2 ZINC001071218217 784760540 /nfs/dbraw/zinc/76/05/40/784760540.db2.gz KPXGCZFTZOBSAT-BXUZGUMPSA-N 1 2 325.800 0.863 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nc[nH]n1)C[C@@H](C)O2 ZINC001071218217 784760543 /nfs/dbraw/zinc/76/05/43/784760543.db2.gz KPXGCZFTZOBSAT-BXUZGUMPSA-N 1 2 325.800 0.863 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C(C)(F)F)C1 ZINC001070900460 784808150 /nfs/dbraw/zinc/80/81/50/784808150.db2.gz NDPWCVNDQWLNKH-UPJWGTAASA-N 1 2 341.358 0.771 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C(C)(F)F)C1 ZINC001070900460 784808162 /nfs/dbraw/zinc/80/81/62/784808162.db2.gz NDPWCVNDQWLNKH-UPJWGTAASA-N 1 2 341.358 0.771 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)Cn3cccn3)C2)C(=O)C1 ZINC001071253828 784845045 /nfs/dbraw/zinc/84/50/45/784845045.db2.gz RTIFMSNIUDIXHJ-INIZCTEOSA-N 1 2 343.431 0.042 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)Cn3cccn3)C2)C(=O)C1 ZINC001071253828 784845056 /nfs/dbraw/zinc/84/50/56/784845056.db2.gz RTIFMSNIUDIXHJ-INIZCTEOSA-N 1 2 343.431 0.042 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3cccn3C)C2)C(=O)C1 ZINC001071255402 784851288 /nfs/dbraw/zinc/85/12/88/784851288.db2.gz NIKDURUKGWRPBX-MRXNPFEDSA-N 1 2 342.443 0.797 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3cccn3C)C2)C(=O)C1 ZINC001071255402 784851294 /nfs/dbraw/zinc/85/12/94/784851294.db2.gz NIKDURUKGWRPBX-MRXNPFEDSA-N 1 2 342.443 0.797 20 30 ECEDLO C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3ccn[nH]3)C2)C(=O)C1 ZINC001071255711 784852637 /nfs/dbraw/zinc/85/26/37/784852637.db2.gz UVUAAMNOJWELJQ-AWEZNQCLSA-N 1 2 331.420 0.735 20 30 ECEDLO C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3ccn[nH]3)C2)C(=O)C1 ZINC001071255711 784852645 /nfs/dbraw/zinc/85/26/45/784852645.db2.gz UVUAAMNOJWELJQ-AWEZNQCLSA-N 1 2 331.420 0.735 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@H]3CC34CC4)C2)C(=O)C1 ZINC001071273906 784910503 /nfs/dbraw/zinc/91/05/03/784910503.db2.gz KHWMADBVXMVCAV-JKSUJKDBSA-N 1 2 329.444 0.945 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@H]3CC34CC4)C2)C(=O)C1 ZINC001071273906 784910505 /nfs/dbraw/zinc/91/05/05/784910505.db2.gz KHWMADBVXMVCAV-JKSUJKDBSA-N 1 2 329.444 0.945 20 30 ECEDLO C=CCCC(=O)N[C@@H]1COC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001068753490 791075311 /nfs/dbraw/zinc/07/53/11/791075311.db2.gz OSILZHRSNDOUCU-ZDUSSCGKSA-N 1 2 332.404 0.415 20 30 ECEDLO C[C@@H]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C[N@@H+]1Cc1cnnn1C ZINC001071414175 785062377 /nfs/dbraw/zinc/06/23/77/785062377.db2.gz QDNOYEVSUGYUMZ-DGCLKSJQSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@@H]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C[N@H+]1Cc1cnnn1C ZINC001071414175 785062381 /nfs/dbraw/zinc/06/23/81/785062381.db2.gz QDNOYEVSUGYUMZ-DGCLKSJQSA-N 1 2 327.392 0.798 20 30 ECEDLO C=CCOCC(=O)N1C[C@H](NC(=O)Cc2c[nH+]ccc2OC)[C@@H](C)C1 ZINC001071805406 785131848 /nfs/dbraw/zinc/13/18/48/785131848.db2.gz NVNPUNWPDBAOCB-ZFWWWQNUSA-N 1 2 347.415 0.798 20 30 ECEDLO C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001071921990 785340456 /nfs/dbraw/zinc/34/04/56/785340456.db2.gz NLFIIERESNWENG-XHDPSFHLSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001071921990 785340466 /nfs/dbraw/zinc/34/04/66/785340466.db2.gz NLFIIERESNWENG-XHDPSFHLSA-N 1 2 340.387 0.819 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001072362151 786082403 /nfs/dbraw/zinc/08/24/03/786082403.db2.gz MFZBZWCUKNTWDY-UKRRQHHQSA-N 1 2 347.415 0.798 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001072514026 786309274 /nfs/dbraw/zinc/30/92/74/786309274.db2.gz VNEZYPJRVVSTAL-UKRRQHHQSA-N 1 2 334.420 0.518 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001073526699 786478020 /nfs/dbraw/zinc/47/80/20/786478020.db2.gz ISWQRPWHVQDGDN-AWEZNQCLSA-N 1 2 325.796 0.893 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001073526699 786478025 /nfs/dbraw/zinc/47/80/25/786478025.db2.gz ISWQRPWHVQDGDN-AWEZNQCLSA-N 1 2 325.796 0.893 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnn4c3OCCC4)C[C@@H]21 ZINC001074287482 786600452 /nfs/dbraw/zinc/60/04/52/786600452.db2.gz YHIBMQDDEVOUJG-JKSUJKDBSA-N 1 2 344.415 0.604 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnn4c3OCCC4)C[C@@H]21 ZINC001074287482 786600456 /nfs/dbraw/zinc/60/04/56/786600456.db2.gz YHIBMQDDEVOUJG-JKSUJKDBSA-N 1 2 344.415 0.604 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C[C@H]21 ZINC001074289277 786604160 /nfs/dbraw/zinc/60/41/60/786604160.db2.gz QGGTXDNTQMMQGY-HZPDHXFCSA-N 1 2 344.415 0.063 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C[C@H]21 ZINC001074289277 786604164 /nfs/dbraw/zinc/60/41/64/786604164.db2.gz QGGTXDNTQMMQGY-HZPDHXFCSA-N 1 2 344.415 0.063 20 30 ECEDLO N#CCN1CCO[C@H]2CCN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]21 ZINC001074295536 786619071 /nfs/dbraw/zinc/61/90/71/786619071.db2.gz ZLJWVHORFOXPTE-GJZGRUSLSA-N 1 2 325.372 0.773 20 30 ECEDLO C=C(C)CCC(=O)N1CCN(C2CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001073576326 786658215 /nfs/dbraw/zinc/65/82/15/786658215.db2.gz DSWAQFVTGXKUGC-UHFFFAOYSA-N 1 2 345.447 0.664 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(CCC=C)nn3)C[C@H]21 ZINC001074353832 786738389 /nfs/dbraw/zinc/73/83/89/786738389.db2.gz HIIUFNMKSRYNQA-IAGOWNOFSA-N 1 2 343.431 0.793 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(CCC=C)nn3)C[C@H]21 ZINC001074353832 786738391 /nfs/dbraw/zinc/73/83/91/786738391.db2.gz HIIUFNMKSRYNQA-IAGOWNOFSA-N 1 2 343.431 0.793 20 30 ECEDLO Cc1c[nH+]c2cc(C(=O)NC[C@H]3CN(CC#N)CCCO3)ccn12 ZINC001073604097 786754763 /nfs/dbraw/zinc/75/47/63/786754763.db2.gz WZURSXHBVCIFGE-HNNXBMFYSA-N 1 2 327.388 0.987 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)C[C@H]21 ZINC001074362508 786758119 /nfs/dbraw/zinc/75/81/19/786758119.db2.gz GKZJXNQOUOHXAT-HZPDHXFCSA-N 1 2 344.415 0.202 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)C[C@H]21 ZINC001074362508 786758125 /nfs/dbraw/zinc/75/81/25/786758125.db2.gz GKZJXNQOUOHXAT-HZPDHXFCSA-N 1 2 344.415 0.202 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)N3CCOCC3)C[C@H]21 ZINC001074363904 786762360 /nfs/dbraw/zinc/76/23/60/786762360.db2.gz QPVUMXODUUAQQZ-IAGOWNOFSA-N 1 2 349.475 0.422 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)N3CCOCC3)C[C@H]21 ZINC001074363904 786762365 /nfs/dbraw/zinc/76/23/65/786762365.db2.gz QPVUMXODUUAQQZ-IAGOWNOFSA-N 1 2 349.475 0.422 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@@H]21 ZINC001074369125 786777236 /nfs/dbraw/zinc/77/72/36/786777236.db2.gz QMBVHEMKODFHRR-LSDHHAIUSA-N 1 2 330.388 0.052 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@@H]21 ZINC001074369125 786777244 /nfs/dbraw/zinc/77/72/44/786777244.db2.gz QMBVHEMKODFHRR-LSDHHAIUSA-N 1 2 330.388 0.052 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3cnn(CC)c3)C[C@H]21 ZINC001074380746 786806340 /nfs/dbraw/zinc/80/63/40/786806340.db2.gz TVAUXDKLJWJXCS-SJORKVTESA-N 1 2 330.432 0.771 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3cnn(CC)c3)C[C@H]21 ZINC001074380746 786806348 /nfs/dbraw/zinc/80/63/48/786806348.db2.gz TVAUXDKLJWJXCS-SJORKVTESA-N 1 2 330.432 0.771 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](NC(=O)CSCC#N)[C@H](C)C1 ZINC001073744863 787106840 /nfs/dbraw/zinc/10/68/40/787106840.db2.gz RIWCCVVVLJNGJH-YPMHNXCESA-N 1 2 349.460 0.871 20 30 ECEDLO C=CCC(C)(C)C(=O)NCC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001074631855 787453107 /nfs/dbraw/zinc/45/31/07/787453107.db2.gz JEBUCJQUJUDRSZ-UHFFFAOYSA-N 1 2 348.447 0.955 20 30 ECEDLO C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001074647176 787497745 /nfs/dbraw/zinc/49/77/45/787497745.db2.gz NJOYMWOPKNDZAY-GFCCVEGCSA-N 1 2 347.419 0.317 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC001074079887 787826621 /nfs/dbraw/zinc/82/66/21/787826621.db2.gz NVLXILUQMLVKCP-ZFWWWQNUSA-N 1 2 334.420 0.518 20 30 ECEDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001072716467 788641830 /nfs/dbraw/zinc/64/18/30/788641830.db2.gz VPXOLBYZHZBYCU-UHFFFAOYSA-N 1 2 343.387 0.776 20 30 ECEDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001072716467 788641833 /nfs/dbraw/zinc/64/18/33/788641833.db2.gz VPXOLBYZHZBYCU-UHFFFAOYSA-N 1 2 343.387 0.776 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC001074992806 788683632 /nfs/dbraw/zinc/68/36/32/788683632.db2.gz JKVPRYAKYFKVAF-KBPBESRZSA-N 1 2 332.404 0.488 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCC(C)(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001073027159 789299898 /nfs/dbraw/zinc/29/98/98/789299898.db2.gz DVJZIXATQHOFBA-CQSZACIVSA-N 1 2 346.431 0.498 20 30 ECEDLO N#Cc1nccnc1N1CC[C@@]2(NC(=O)Cc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001069271544 789722767 /nfs/dbraw/zinc/72/27/67/789722767.db2.gz UDKWMEUWSKMPDY-DYVFJYSZSA-N 1 2 337.387 0.932 20 30 ECEDLO C[C@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCCN1c1cncc(C#N)n1 ZINC001069378040 789785905 /nfs/dbraw/zinc/78/59/05/789785905.db2.gz JNEYOEGGQZPPLE-SWLSCSKDSA-N 1 2 339.403 0.798 20 30 ECEDLO C[C@H]1[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1c1ccnc(C#N)n1 ZINC001069414477 789811709 /nfs/dbraw/zinc/81/17/09/789811709.db2.gz CFWZEESVIAZCJR-WCQYABFASA-N 1 2 325.376 0.788 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1c1cnc(C#N)cn1 ZINC001069415178 789811839 /nfs/dbraw/zinc/81/18/39/789811839.db2.gz MEUMZDIIZSXXCQ-FZMZJTMJSA-N 1 2 325.376 0.788 20 30 ECEDLO CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1Nc1ccc(C#N)nn1 ZINC001069584095 789919055 /nfs/dbraw/zinc/91/90/55/789919055.db2.gz WNXJRKKWTIZWGU-GFCCVEGCSA-N 1 2 325.376 0.963 20 30 ECEDLO CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1Nc1cncc(C#N)n1 ZINC001069584017 789919084 /nfs/dbraw/zinc/91/90/84/789919084.db2.gz URBBBKQGQDQOMJ-GFCCVEGCSA-N 1 2 325.376 0.963 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnc(C)cn2)[C@@H](n2ccnn2)C1 ZINC001069893105 790161853 /nfs/dbraw/zinc/16/18/53/790161853.db2.gz GCVWXMJSYINMEG-CABCVRRESA-N 1 2 325.376 0.055 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnc(C)cn2)[C@@H](n2ccnn2)C1 ZINC001069893105 790161854 /nfs/dbraw/zinc/16/18/54/790161854.db2.gz GCVWXMJSYINMEG-CABCVRRESA-N 1 2 325.376 0.055 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001069893498 790162542 /nfs/dbraw/zinc/16/25/42/790162542.db2.gz BYFAPHIOEDRXIO-KGLIPLIRSA-N 1 2 332.795 0.938 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(Cl)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001069893498 790162543 /nfs/dbraw/zinc/16/25/43/790162543.db2.gz BYFAPHIOEDRXIO-KGLIPLIRSA-N 1 2 332.795 0.938 20 30 ECEDLO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@@H](n2ccnn2)C1 ZINC001069949333 790228993 /nfs/dbraw/zinc/22/89/93/790228993.db2.gz RMGHTBAVATVIPD-XOUADPBQSA-N 1 2 339.403 0.170 20 30 ECEDLO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@@H](n2ccnn2)C1 ZINC001069949333 790228996 /nfs/dbraw/zinc/22/89/96/790228996.db2.gz RMGHTBAVATVIPD-XOUADPBQSA-N 1 2 339.403 0.170 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccn3nccc23)[C@@H](n2ccnn2)C1 ZINC001069969268 790257738 /nfs/dbraw/zinc/25/77/38/790257738.db2.gz LCFPSVHZSHAHOH-ZBFHGGJFSA-N 1 2 335.371 0.214 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccn3nccc23)[C@@H](n2ccnn2)C1 ZINC001069969268 790257740 /nfs/dbraw/zinc/25/77/40/790257740.db2.gz LCFPSVHZSHAHOH-ZBFHGGJFSA-N 1 2 335.371 0.214 20 30 ECEDLO CC(C)C#CC(=O)N[C@@H]1COC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001068859891 791283009 /nfs/dbraw/zinc/28/30/09/791283009.db2.gz XWEMUWWBGHYPKE-HNNXBMFYSA-N 1 2 344.415 0.419 20 30 ECEDLO O=C(C#CC1CC1)N[C@@H]1COC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001068862787 791292619 /nfs/dbraw/zinc/29/26/19/791292619.db2.gz IPJRPLOXTKIWOQ-HNNXBMFYSA-N 1 2 342.399 0.242 20 30 ECEDLO O=C(C#CC1CC1)N[C@@H]1COC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001068862787 791292627 /nfs/dbraw/zinc/29/26/27/791292627.db2.gz IPJRPLOXTKIWOQ-HNNXBMFYSA-N 1 2 342.399 0.242 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)C[C@H](NC(=O)Cn1cc[nH+]c1)CO2 ZINC001068915087 791408783 /nfs/dbraw/zinc/40/87/83/791408783.db2.gz HSYWJCGZDBGVBG-GJZGRUSLSA-N 1 2 346.431 0.972 20 30 ECEDLO C[C@H]1C[C@@H](Nc2cncc(C#N)n2)CN1C(=O)Cc1c[nH+]cn1C ZINC001069121130 791722338 /nfs/dbraw/zinc/72/23/38/791722338.db2.gz HUPIXDSTDQWVRE-NWDGAFQWSA-N 1 2 325.376 0.726 20 30 ECEDLO N#Cc1cnc(NC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CCO2)c(F)c1 ZINC001066680042 791974639 /nfs/dbraw/zinc/97/46/39/791974639.db2.gz FVFGMZBPDKTSBY-ZDUSSCGKSA-N 1 2 344.350 0.697 20 30 ECEDLO CO[C@@H](C)C(=O)N1CC[C@@H]([NH+]2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001066699500 792025089 /nfs/dbraw/zinc/02/50/89/792025089.db2.gz ZOEHMYIPFZRZAE-DZGCQCFKSA-N 1 2 344.419 0.106 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1)c1ncccc1C#N ZINC001067748909 792221198 /nfs/dbraw/zinc/22/11/98/792221198.db2.gz HWWMWPINPXDXRH-CVEARBPZSA-N 1 2 343.431 0.711 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1)c1ncccc1C#N ZINC001067748909 792221205 /nfs/dbraw/zinc/22/12/05/792221205.db2.gz HWWMWPINPXDXRH-CVEARBPZSA-N 1 2 343.431 0.711 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1)c1ccc(C#N)nn1 ZINC001067749534 792223433 /nfs/dbraw/zinc/22/34/33/792223433.db2.gz STFVEZSNYFUKPI-HUUCEWRRSA-N 1 2 344.419 0.106 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1)c1ccc(C#N)nn1 ZINC001067749534 792223442 /nfs/dbraw/zinc/22/34/42/792223442.db2.gz STFVEZSNYFUKPI-HUUCEWRRSA-N 1 2 344.419 0.106 20 30 ECEDLO C[C@H]1CCN(c2ccc(C#N)nn2)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067967989 792523211 /nfs/dbraw/zinc/52/32/11/792523211.db2.gz URYKAVJKFSTXGL-WCQYABFASA-N 1 2 325.376 0.645 20 30 ECEDLO Cc1cc(N[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)c(C#N)cn1 ZINC001067122665 792720232 /nfs/dbraw/zinc/72/02/32/792720232.db2.gz HAFLDODQFNJZTA-SJCJKPOMSA-N 1 2 338.415 0.919 20 30 ECEDLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1Nc1ccc(C#N)nn1 ZINC001067123578 792721498 /nfs/dbraw/zinc/72/14/98/792721498.db2.gz WDAVILJGVYUFCU-FZMZJTMJSA-N 1 2 325.376 0.583 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1Nc1nccnc1C#N ZINC001067227361 792848451 /nfs/dbraw/zinc/84/84/51/792848451.db2.gz KCMTZVBHKCGAFF-OCCSQVGLSA-N 1 2 339.403 0.973 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1Nc1cncc(C#N)n1 ZINC001067228025 792849714 /nfs/dbraw/zinc/84/97/14/792849714.db2.gz ZSOXVGGJKGSHRT-GXTWGEPZSA-N 1 2 339.403 0.973 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1Nc1cncc(C#N)n1 ZINC001067228027 792849980 /nfs/dbraw/zinc/84/99/80/792849980.db2.gz ZSOXVGGJKGSHRT-OCCSQVGLSA-N 1 2 339.403 0.973 20 30 ECEDLO C[C@@H](Nc1nccnc1C#N)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001068234609 792886253 /nfs/dbraw/zinc/88/62/53/792886253.db2.gz JANMQEIBWAOWRD-TZMCWYRMSA-N 1 2 341.375 0.273 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](C)C2)n1 ZINC001067408620 793114915 /nfs/dbraw/zinc/11/49/15/793114915.db2.gz VNSPNQATAKFADE-SMDDNHRTSA-N 1 2 339.403 0.954 20 30 ECEDLO C[C@H]1C[C@@H](CNc2cncc(C#N)n2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001068376149 793150386 /nfs/dbraw/zinc/15/03/86/793150386.db2.gz QAFNLFNMTWWCQB-RYUDHWBXSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@H]1C[C@H](CNc2cnc(C#N)cn2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001068376590 793151919 /nfs/dbraw/zinc/15/19/19/793151919.db2.gz WZBBXHUKBWTLLF-NWDGAFQWSA-N 1 2 325.376 0.963 20 30 ECEDLO C#CCCCC(=O)N1CCOC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001068388806 793181323 /nfs/dbraw/zinc/18/13/23/793181323.db2.gz NLTKFXQMOMGDPC-UHFFFAOYSA-N 1 2 344.415 0.206 20 30 ECEDLO CC#CCCCC(=O)N1CCOC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001068437050 793312911 /nfs/dbraw/zinc/31/29/11/793312911.db2.gz XSAPUBPTFCLJOP-UHFFFAOYSA-N 1 2 344.415 0.586 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)c2ccnnc2)C1 ZINC001267481594 837535806 /nfs/dbraw/zinc/53/58/06/837535806.db2.gz JKEAETVBBFJZEH-HNNXBMFYSA-N 1 2 331.420 0.705 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccnnc2)C1 ZINC001267481594 837535814 /nfs/dbraw/zinc/53/58/14/837535814.db2.gz JKEAETVBBFJZEH-HNNXBMFYSA-N 1 2 331.420 0.705 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(CCC)C(=O)c2cnon2)C1 ZINC001267548157 837744049 /nfs/dbraw/zinc/74/40/49/837744049.db2.gz ZMPYEMUILIYLSB-STQMWFEESA-N 1 2 333.392 0.134 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(CCC)C(=O)c2cnon2)C1 ZINC001267548157 837744058 /nfs/dbraw/zinc/74/40/58/837744058.db2.gz ZMPYEMUILIYLSB-STQMWFEESA-N 1 2 333.392 0.134 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)c1cncc2[nH]ccc21 ZINC001267572941 837810988 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C[N@H+](CCNC(=O)c1ccc(-n2ccnc2)cc1)CC(=O)NCC#N ZINC001266303958 835667033 /nfs/dbraw/zinc/66/70/33/835667033.db2.gz ANCKMIFAVINZOQ-UHFFFAOYSA-N 1 2 340.387 0.174 20 30 ECEDLO C[N@@H+](CCNC(=O)c1ccc(-n2ccnc2)cc1)CC(=O)NCC#N ZINC001266303958 835667035 /nfs/dbraw/zinc/66/70/35/835667035.db2.gz ANCKMIFAVINZOQ-UHFFFAOYSA-N 1 2 340.387 0.174 20 30 ECEDLO Cc1ccc(CCC(=O)NCC[N@@H+](C)CC(=O)NCC#N)c(C)c1 ZINC001266304289 835668069 /nfs/dbraw/zinc/66/80/69/835668069.db2.gz PZDHLKVKRMAZMT-UHFFFAOYSA-N 1 2 330.432 0.924 20 30 ECEDLO Cc1ccc(CCC(=O)NCC[N@H+](C)CC(=O)NCC#N)c(C)c1 ZINC001266304289 835668075 /nfs/dbraw/zinc/66/80/75/835668075.db2.gz PZDHLKVKRMAZMT-UHFFFAOYSA-N 1 2 330.432 0.924 20 30 ECEDLO C[N@H+](CCNC(=O)c1nccc2ccccc21)CC(=O)NCC#N ZINC001266312943 835680007 /nfs/dbraw/zinc/68/00/07/835680007.db2.gz BYXVBOVYLSENDM-UHFFFAOYSA-N 1 2 325.372 0.536 20 30 ECEDLO C[N@@H+](CCNC(=O)c1nccc2ccccc21)CC(=O)NCC#N ZINC001266312943 835680011 /nfs/dbraw/zinc/68/00/11/835680011.db2.gz 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ZINC001266324002 835700059 /nfs/dbraw/zinc/70/00/59/835700059.db2.gz RIZJQMZNKQKMJC-UHFFFAOYSA-N 1 2 343.362 0.830 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccc(COC)o2)C1 ZINC001266327619 835707555 /nfs/dbraw/zinc/70/75/55/835707555.db2.gz IIFMLHSJXOWGBP-OLZOCXBDSA-N 1 2 335.404 0.921 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2ccc(COC)o2)C1 ZINC001266327619 835707562 /nfs/dbraw/zinc/70/75/62/835707562.db2.gz IIFMLHSJXOWGBP-OLZOCXBDSA-N 1 2 335.404 0.921 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC001266342282 835728179 /nfs/dbraw/zinc/72/81/79/835728179.db2.gz QARXUPDHSMZBNM-SUMWQHHRSA-N 1 2 336.436 0.767 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC001266342282 835728182 /nfs/dbraw/zinc/72/81/82/835728182.db2.gz QARXUPDHSMZBNM-SUMWQHHRSA-N 1 2 336.436 0.767 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCn2nc(C)cc2C)C1 ZINC001266345633 835735797 /nfs/dbraw/zinc/73/57/97/835735797.db2.gz 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C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccncn2)C1 ZINC001266348012 835741727 /nfs/dbraw/zinc/74/17/27/835741727.db2.gz UMKBADYDPSIYAK-CQSZACIVSA-N 1 2 331.420 0.705 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccncn2)C1 ZINC001266348012 835741733 /nfs/dbraw/zinc/74/17/33/835741733.db2.gz UMKBADYDPSIYAK-CQSZACIVSA-N 1 2 331.420 0.705 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001266355206 835759563 /nfs/dbraw/zinc/75/95/63/835759563.db2.gz CSRXFUKGXHRPLB-ZBFHGGJFSA-N 1 2 345.830 0.920 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001266355206 835759568 /nfs/dbraw/zinc/75/95/68/835759568.db2.gz CSRXFUKGXHRPLB-ZBFHGGJFSA-N 1 2 345.830 0.920 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c3ccccc23)C1 ZINC001266356916 835761159 /nfs/dbraw/zinc/76/11/59/835761159.db2.gz WUZWYVZJNRCDPA-AWEZNQCLSA-N 1 2 339.399 0.541 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c3ccccc23)C1 ZINC001266356916 835761164 /nfs/dbraw/zinc/76/11/64/835761164.db2.gz WUZWYVZJNRCDPA-AWEZNQCLSA-N 1 2 339.399 0.541 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001266361404 835770286 /nfs/dbraw/zinc/77/02/86/835770286.db2.gz MOFWPYKEQMOJJG-DOMZBBRYSA-N 1 2 345.830 0.920 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001266361404 835770296 /nfs/dbraw/zinc/77/02/96/835770296.db2.gz MOFWPYKEQMOJJG-DOMZBBRYSA-N 1 2 345.830 0.920 20 30 ECEDLO C=CCCO[C@H](C)C(=O)N[C@H]1CC12CC[NH+](Cc1nnnn1C)CC2 ZINC001266366475 835778184 /nfs/dbraw/zinc/77/81/84/835778184.db2.gz TUZDJQCZKRGZEL-KGLIPLIRSA-N 1 2 348.451 0.662 20 30 ECEDLO Cc1ccn(C[C@@H](C)C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NCC#N)n1 ZINC001266465476 835867508 /nfs/dbraw/zinc/86/75/08/835867508.db2.gz WQRGAMCOYSASML-HIFRSBDPSA-N 1 2 346.435 0.048 20 30 ECEDLO Cc1ccn(C[C@@H](C)C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NCC#N)n1 ZINC001266465476 835867514 /nfs/dbraw/zinc/86/75/14/835867514.db2.gz WQRGAMCOYSASML-HIFRSBDPSA-N 1 2 346.435 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304319092 /nfs/dbraw/zinc/31/90/92/304319092.db2.gz LVNBWAMGJQOWQX-CABCVRRESA-N 1 2 339.436 0.835 20 30 ECEDLO O=C(C[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1)NC[C@H]1CCCO1 ZINC000328882631 304319093 /nfs/dbraw/zinc/31/90/93/304319093.db2.gz LVNBWAMGJQOWQX-CABCVRRESA-N 1 2 339.436 0.835 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000191320442 165031121 /nfs/dbraw/zinc/03/11/21/165031121.db2.gz BYSSJBMMOHNYGJ-OAHLLOKOSA-N 1 2 347.463 0.556 20 30 ECEDLO COCCCNC(=O)[C@@H](C)N1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191320442 165031125 /nfs/dbraw/zinc/03/11/25/165031125.db2.gz BYSSJBMMOHNYGJ-OAHLLOKOSA-N 1 2 347.463 0.556 20 30 ECEDLO C[C@@H](C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C)CS(C)(=O)=O ZINC000246568082 165138093 /nfs/dbraw/zinc/13/80/93/165138093.db2.gz NUNHXYIHPKTJJI-STQMWFEESA-N 1 2 337.449 0.539 20 30 ECEDLO C[C@@H](C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C)CS(C)(=O)=O ZINC000246568082 165138096 /nfs/dbraw/zinc/13/80/96/165138096.db2.gz NUNHXYIHPKTJJI-STQMWFEESA-N 1 2 337.449 0.539 20 30 ECEDLO COCC(COC)[NH+]1CCN(C(=O)Nc2nn(C)cc2C#N)CC1 ZINC000602887277 421256697 /nfs/dbraw/zinc/25/66/97/421256697.db2.gz OBOSKUITHNVUBQ-UHFFFAOYSA-N 1 2 336.396 0.103 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000283686961 264141767 /nfs/dbraw/zinc/14/17/67/264141767.db2.gz GODVWOBJALCOTM-CQSZACIVSA-N 1 2 344.415 0.354 20 30 ECEDLO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000289296027 264559968 /nfs/dbraw/zinc/55/99/68/264559968.db2.gz YXOJQHASOKXFDF-MRXNPFEDSA-N 1 2 337.445 0.777 20 30 ECEDLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC1 ZINC000331163901 270005802 /nfs/dbraw/zinc/00/58/02/270005802.db2.gz RYAYTDUCTSZPKJ-AWEZNQCLSA-N 1 2 338.433 0.339 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)c2ccnc(C#N)c2)C1=O ZINC000517210305 270007986 /nfs/dbraw/zinc/00/79/86/270007986.db2.gz MYJYCQATFFUWFF-CQSZACIVSA-N 1 2 338.371 0.608 20 30 ECEDLO Cc1cc[nH+]cc1N1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1 ZINC000533308877 270008450 /nfs/dbraw/zinc/00/84/50/270008450.db2.gz HIZZRWIPBCEQLQ-CYBMUJFWSA-N 1 2 325.376 0.763 20 30 ECEDLO CCN1CCOC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000367749797 266152944 /nfs/dbraw/zinc/15/29/44/266152944.db2.gz NWCQKNCOMYRANG-SFHVURJKSA-N 1 2 342.443 0.923 20 30 ECEDLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N(C)Cc2cccc(C#N)c2)CC1 ZINC000297776577 267191180 /nfs/dbraw/zinc/19/11/80/267191180.db2.gz IRDYTTOLVKPPJP-AWEZNQCLSA-N 1 2 344.415 0.042 20 30 ECEDLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000514862729 267283733 /nfs/dbraw/zinc/28/37/33/267283733.db2.gz HJLVFTVKARJCDZ-AWEZNQCLSA-N 1 2 348.432 0.457 20 30 ECEDLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000514862729 267283737 /nfs/dbraw/zinc/28/37/37/267283737.db2.gz HJLVFTVKARJCDZ-AWEZNQCLSA-N 1 2 348.432 0.457 20 30 ECEDLO Cc1c(Cl)cnc(N2CC[NH+](CCS(N)(=O)=O)CC2)c1C#N ZINC000273397778 267294814 /nfs/dbraw/zinc/29/48/14/267294814.db2.gz VYBJRYBGLPCGEF-UHFFFAOYSA-N 1 2 343.840 0.326 20 30 ECEDLO Cc1nn(C)c(N2CC[NH+]([C@@H]3CCN(C(C)C)C3=O)CC2)c1C#N ZINC000530413746 268090883 /nfs/dbraw/zinc/09/08/83/268090883.db2.gz XGTFZOUMBNVDLV-OAHLLOKOSA-N 1 2 330.436 0.732 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCN4CCOC[C@H]4C3)C2=O)cc1 ZINC000329670557 268123653 /nfs/dbraw/zinc/12/36/53/268123653.db2.gz MXVVTRPIZLCLPQ-IAGOWNOFSA-N 1 2 326.400 0.680 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCN4CCOC[C@H]4C3)C2=O)cc1 ZINC000329670557 268123655 /nfs/dbraw/zinc/12/36/55/268123655.db2.gz MXVVTRPIZLCLPQ-IAGOWNOFSA-N 1 2 326.400 0.680 20 30 ECEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](C(=O)C3CC3)C2)cc1 ZINC000360970287 268177893 /nfs/dbraw/zinc/17/78/93/268177893.db2.gz ZDQCFERHNNQARD-RDJZCZTQSA-N 1 2 330.384 0.978 20 30 ECEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@H](C(=O)C3CC3)C2)cc1 ZINC000360970287 268177895 /nfs/dbraw/zinc/17/78/95/268177895.db2.gz ZDQCFERHNNQARD-RDJZCZTQSA-N 1 2 330.384 0.978 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)o1 ZINC000376353036 268193897 /nfs/dbraw/zinc/19/38/97/268193897.db2.gz PYUWOZQFYAIEIY-QWHCGFSZSA-N 1 2 325.390 0.371 20 30 ECEDLO N#Cc1cccc(C2(C(=O)NC[C@H](O)C[NH+]3CCOCC3)CC2)c1 ZINC000340076415 268239059 /nfs/dbraw/zinc/23/90/59/268239059.db2.gz XVUCUKRZAVQVBV-INIZCTEOSA-N 1 2 329.400 0.399 20 30 ECEDLO N#Cc1cccc(N2CC[NH+](Cc3cc(=O)n4nccc4[nH]3)CC2)n1 ZINC000355080663 268261816 /nfs/dbraw/zinc/26/18/16/268261816.db2.gz MPRADXGPWPOWAP-UHFFFAOYSA-N 1 2 335.371 0.611 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)c1 ZINC000377658735 268275811 /nfs/dbraw/zinc/27/58/11/268275811.db2.gz YFQOGKLKKWALID-ZFWWWQNUSA-N 1 2 333.413 0.400 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)c1 ZINC000377658735 268275812 /nfs/dbraw/zinc/27/58/12/268275812.db2.gz YFQOGKLKKWALID-ZFWWWQNUSA-N 1 2 333.413 0.400 20 30 ECEDLO N#Cc1csc(C(=O)N[C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000370310761 268319076 /nfs/dbraw/zinc/31/90/76/268319076.db2.gz ADTJOUIVLCIVGU-CQSZACIVSA-N 1 2 334.445 0.756 20 30 ECEDLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000160826080 277316706 /nfs/dbraw/zinc/31/67/06/277316706.db2.gz XACVWWXXKCXTDM-UHFFFAOYSA-N 1 2 341.408 0.775 20 30 ECEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000329272011 278015676 /nfs/dbraw/zinc/01/56/76/278015676.db2.gz IIVLUTIBYBUVDZ-RDBSUJKOSA-N 1 2 334.424 0.302 20 30 ECEDLO Cc1nc(S(=O)(=O)N2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)cn1C ZINC000292789546 279104517 /nfs/dbraw/zinc/10/45/17/279104517.db2.gz LHYOWONDFRVGTR-KBPBESRZSA-N 1 2 337.449 0.727 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000408092142 280102679 /nfs/dbraw/zinc/10/26/79/280102679.db2.gz XONFUTPLUNPJSP-UKRRQHHQSA-N 1 2 344.481 0.397 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000408092142 280102683 /nfs/dbraw/zinc/10/26/83/280102683.db2.gz XONFUTPLUNPJSP-UKRRQHHQSA-N 1 2 344.481 0.397 20 30 ECEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000274492080 295366858 /nfs/dbraw/zinc/36/68/58/295366858.db2.gz PGPZXJKDRVDEJP-ILXRZTDVSA-N 1 2 347.415 0.758 20 30 ECEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000274492080 295366859 /nfs/dbraw/zinc/36/68/59/295366859.db2.gz PGPZXJKDRVDEJP-ILXRZTDVSA-N 1 2 347.415 0.758 20 30 ECEDLO COCCN(CCC#N)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000072689547 436052021 /nfs/dbraw/zinc/05/20/21/436052021.db2.gz NNZXLXJOJSYVKG-UHFFFAOYSA-N 1 2 326.441 0.075 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+](CCCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000071119388 436002692 /nfs/dbraw/zinc/00/26/92/436002692.db2.gz QULROCPZHQFZLB-OAHLLOKOSA-N 1 2 346.493 0.937 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CCCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000071119388 436002697 /nfs/dbraw/zinc/00/26/97/436002697.db2.gz QULROCPZHQFZLB-OAHLLOKOSA-N 1 2 346.493 0.937 20 30 ECEDLO C#CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000073028280 436065817 /nfs/dbraw/zinc/06/58/17/436065817.db2.gz AGYMAKILYFBFBJ-GJZGRUSLSA-N 1 2 326.462 0.900 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH+]1CCN(c2ccccc2OC)CC1 ZINC000016444161 436093325 /nfs/dbraw/zinc/09/33/25/436093325.db2.gz CUXUQHJKBFLIKX-UHFFFAOYSA-N 1 2 332.404 0.829 20 30 ECEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000073870477 436096815 /nfs/dbraw/zinc/09/68/15/436096815.db2.gz CSDXOWYVRYRMJB-NSHDSACASA-N 1 2 344.375 0.651 20 30 ECEDLO N#Cc1ccc(F)c(CN2CC[NH+](CC(=O)N3CCOCC3)CC2)c1 ZINC000022845443 436120811 /nfs/dbraw/zinc/12/08/11/436120811.db2.gz ZHAAIPYEKDWTBZ-UHFFFAOYSA-N 1 2 346.406 0.674 20 30 ECEDLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000026976339 436171540 /nfs/dbraw/zinc/17/15/40/436171540.db2.gz YCFXRCSGVJPTQN-UHFFFAOYSA-N 1 2 336.417 0.047 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000028274709 436188076 /nfs/dbraw/zinc/18/80/76/436188076.db2.gz HFGFRFLPXIOCKX-OAHLLOKOSA-N 1 2 328.416 0.381 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(=O)n2ccccc2n1 ZINC000078681692 436275947 /nfs/dbraw/zinc/27/59/47/436275947.db2.gz XTUIWFCWPGUVAS-UHFFFAOYSA-N 1 2 341.415 0.742 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(CC(=O)NC(C)C)CC1 ZINC000042474599 436302943 /nfs/dbraw/zinc/30/29/43/436302943.db2.gz MWTMGZNEEDDYRR-MRXNPFEDSA-N 1 2 336.480 0.718 20 30 ECEDLO C#CCNC(=O)c1ccc(N2CCC[N@@H+](CC(=O)OCC)CC2)nc1 ZINC000081017685 436336945 /nfs/dbraw/zinc/33/69/45/436336945.db2.gz JHTOKOBMJHANLJ-UHFFFAOYSA-N 1 2 344.415 0.520 20 30 ECEDLO C#CCNC(=O)c1ccc(N2CCC[N@H+](CC(=O)OCC)CC2)nc1 ZINC000081017685 436336948 /nfs/dbraw/zinc/33/69/48/436336948.db2.gz JHTOKOBMJHANLJ-UHFFFAOYSA-N 1 2 344.415 0.520 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000083243548 436368965 /nfs/dbraw/zinc/36/89/65/436368965.db2.gz MFXOFFSFAZHOKW-UHFFFAOYSA-N 1 2 328.416 0.793 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000083243548 436368966 /nfs/dbraw/zinc/36/89/66/436368966.db2.gz MFXOFFSFAZHOKW-UHFFFAOYSA-N 1 2 328.416 0.793 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000081710314 436354716 /nfs/dbraw/zinc/35/47/16/436354716.db2.gz JNTLBXWWUXZMTC-MRXNPFEDSA-N 1 2 334.445 0.834 20 30 ECEDLO COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000050165642 436473389 /nfs/dbraw/zinc/47/33/89/436473389.db2.gz BHHKTZADHKPLTF-GFCCVEGCSA-N 1 2 346.387 0.342 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000054671077 436556571 /nfs/dbraw/zinc/55/65/71/436556571.db2.gz IOPWDWKIXJTUGZ-MRXNPFEDSA-N 1 2 344.459 0.611 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2c(C)nsc2NC)CC1 ZINC000104132901 436557981 /nfs/dbraw/zinc/55/79/81/436557981.db2.gz WMBJHEZLLHEAPS-UHFFFAOYSA-N 1 2 349.460 0.391 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c(C)nsc2NC)CC1 ZINC000104132901 436557983 /nfs/dbraw/zinc/55/79/83/436557983.db2.gz WMBJHEZLLHEAPS-UHFFFAOYSA-N 1 2 349.460 0.391 20 30 ECEDLO CCC(CC)[C@H](CNS(=O)(=O)N(C)CCC#N)[NH+]1CCOCC1 ZINC000105935608 436588665 /nfs/dbraw/zinc/58/86/65/436588665.db2.gz MVEQZWBONJVBET-HNNXBMFYSA-N 1 2 346.497 0.803 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)nc1 ZINC000107566959 436613704 /nfs/dbraw/zinc/61/37/04/436613704.db2.gz YKQYGNHJCOMIBZ-MRXNPFEDSA-N 1 2 332.429 0.891 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+]([C@H](C)C(=O)NC2CCCCC2)CC1 ZINC000057975654 436620175 /nfs/dbraw/zinc/62/01/75/436620175.db2.gz HTDACJCDHCMJJM-OAHLLOKOSA-N 1 2 336.480 0.744 20 30 ECEDLO Cc1cccc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c1C#N ZINC000416670830 302014463 /nfs/dbraw/zinc/01/44/63/302014463.db2.gz UTXIAZZJDMOQMP-UONOGXRCSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cccc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)c1C#N ZINC000416670830 302014465 /nfs/dbraw/zinc/01/44/65/302014465.db2.gz UTXIAZZJDMOQMP-UONOGXRCSA-N 1 2 337.445 0.942 20 30 ECEDLO COCC[N@H+](CC(=O)NC(=O)NC1CC1)Cc1ccc(C#N)cc1 ZINC000063754463 436645879 /nfs/dbraw/zinc/64/58/79/436645879.db2.gz CAFRLMBJHOKEMO-UHFFFAOYSA-N 1 2 330.388 0.995 20 30 ECEDLO COCC[N@@H+](CC(=O)NC(=O)NC1CC1)Cc1ccc(C#N)cc1 ZINC000063754463 436645880 /nfs/dbraw/zinc/64/58/80/436645880.db2.gz CAFRLMBJHOKEMO-UHFFFAOYSA-N 1 2 330.388 0.995 20 30 ECEDLO C=CCOc1ccc(C(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1OC ZINC000063759833 436645939 /nfs/dbraw/zinc/64/59/39/436645939.db2.gz PFHPLJWQAAALGI-UHFFFAOYSA-N 1 2 347.415 0.893 20 30 ECEDLO C=CCOc1ccc(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1OC ZINC000063759833 436645940 /nfs/dbraw/zinc/64/59/40/436645940.db2.gz PFHPLJWQAAALGI-UHFFFAOYSA-N 1 2 347.415 0.893 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CC[C@@H]3C(N)=O)CC2)cc1 ZINC000552798090 302397855 /nfs/dbraw/zinc/39/78/55/302397855.db2.gz BRKITRNYXOIINI-HOTGVXAUSA-N 1 2 326.400 0.714 20 30 ECEDLO COC(=O)C1(O)CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000271476141 436690436 /nfs/dbraw/zinc/69/04/36/436690436.db2.gz VECVCVDLRLUJNW-UHFFFAOYSA-N 1 2 345.399 0.933 20 30 ECEDLO Cc1ccsc1CNC(=O)CO[NH+]=C(N)CN1CCOCC1 ZINC000151590706 436705608 /nfs/dbraw/zinc/70/56/08/436705608.db2.gz DVMKUTMFCKXMKR-UHFFFAOYSA-N 1 2 326.422 0.294 20 30 ECEDLO COCC[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000151778254 436711243 /nfs/dbraw/zinc/71/12/43/436711243.db2.gz TZXDPBDWWBUJCP-UHFFFAOYSA-N 1 2 327.381 0.650 20 30 ECEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)c1 ZINC000138985087 436662399 /nfs/dbraw/zinc/66/23/99/436662399.db2.gz HNBGKSCDUCXSBT-HNNXBMFYSA-N 1 2 327.388 0.986 20 30 ECEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](N3CCNC3=O)C2)c1 ZINC000138985087 436662402 /nfs/dbraw/zinc/66/24/02/436662402.db2.gz HNBGKSCDUCXSBT-HNNXBMFYSA-N 1 2 327.388 0.986 20 30 ECEDLO Cc1n[nH]c(C)c1NC(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000119925587 436674012 /nfs/dbraw/zinc/67/40/12/436674012.db2.gz AWABVQDWPBYAEV-UHFFFAOYSA-N 1 2 334.424 0.513 20 30 ECEDLO C=CCNc1ncc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)OC)s1 ZINC000271184341 436679156 /nfs/dbraw/zinc/67/91/56/436679156.db2.gz UXCYFPIYOVYQCG-JTQLQIEISA-N 1 2 335.389 0.978 20 30 ECEDLO C=CCNc1ncc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)OC)s1 ZINC000271184341 436679159 /nfs/dbraw/zinc/67/91/59/436679159.db2.gz UXCYFPIYOVYQCG-JTQLQIEISA-N 1 2 335.389 0.978 20 30 ECEDLO CC(C)(C)[C@H](C#N)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000122410676 436736011 /nfs/dbraw/zinc/73/60/11/436736011.db2.gz OSWZINHYRYJFMN-KGLIPLIRSA-N 1 2 336.436 0.222 20 30 ECEDLO N#CCCN(CCC#N)C(=O)CN1CC[NH+](Cc2cccnc2)CC1 ZINC000125277611 436768029 /nfs/dbraw/zinc/76/80/29/436768029.db2.gz LPYQSXCVCWFLCC-UHFFFAOYSA-N 1 2 340.431 0.855 20 30 ECEDLO C[C@H](CO)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C[C@H](C)O ZINC000248871177 436811832 /nfs/dbraw/zinc/81/18/32/436811832.db2.gz BQJBLGPKTKYSQZ-OLZOCXBDSA-N 1 2 326.418 0.396 20 30 ECEDLO C[C@H](CO)[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C[C@H](C)O ZINC000248871177 436811836 /nfs/dbraw/zinc/81/18/36/436811836.db2.gz BQJBLGPKTKYSQZ-OLZOCXBDSA-N 1 2 326.418 0.396 20 30 ECEDLO CC(C)(C#N)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000154265880 436774017 /nfs/dbraw/zinc/77/40/17/436774017.db2.gz CMRGSYKEGVZKCI-UHFFFAOYSA-N 1 2 344.419 0.512 20 30 ECEDLO CC(C)(C#N)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000154265880 436774020 /nfs/dbraw/zinc/77/40/20/436774020.db2.gz CMRGSYKEGVZKCI-UHFFFAOYSA-N 1 2 344.419 0.512 20 30 ECEDLO CN(C)C(=O)c1ccc(CN(CCC#N)CC[NH+]2CCOCC2)[nH]1 ZINC000154764374 436786165 /nfs/dbraw/zinc/78/61/65/436786165.db2.gz PUNSJLGNVUSYDV-UHFFFAOYSA-N 1 2 333.436 0.764 20 30 ECEDLO CNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000155699131 436800512 /nfs/dbraw/zinc/80/05/12/436800512.db2.gz PVJSBRHSAFXZAB-ZDUSSCGKSA-N 1 2 342.465 0.295 20 30 ECEDLO CNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000155699131 436800513 /nfs/dbraw/zinc/80/05/13/436800513.db2.gz PVJSBRHSAFXZAB-ZDUSSCGKSA-N 1 2 342.465 0.295 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C[C@H]2C(N)=O)CC1 ZINC000249542576 436823116 /nfs/dbraw/zinc/82/31/16/436823116.db2.gz FIWNKXPJINPCQH-OWCLPIDISA-N 1 2 349.479 0.265 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](C)C[C@H]2C(N)=O)CC1 ZINC000249542576 436823118 /nfs/dbraw/zinc/82/31/18/436823118.db2.gz FIWNKXPJINPCQH-OWCLPIDISA-N 1 2 349.479 0.265 20 30 ECEDLO C#CC[N@@H+](C)CCCNC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000293951155 436921547 /nfs/dbraw/zinc/92/15/47/436921547.db2.gz JZFBZYFFOPRJBA-UHFFFAOYSA-N 1 2 344.440 0.907 20 30 ECEDLO C#CC[N@H+](C)CCCNC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000293951155 436921551 /nfs/dbraw/zinc/92/15/51/436921551.db2.gz JZFBZYFFOPRJBA-UHFFFAOYSA-N 1 2 344.440 0.907 20 30 ECEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000134300175 436893721 /nfs/dbraw/zinc/89/37/21/436893721.db2.gz MKWABHULGQPFCG-STQMWFEESA-N 1 2 330.454 0.149 20 30 ECEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000134300175 436893725 /nfs/dbraw/zinc/89/37/25/436893725.db2.gz MKWABHULGQPFCG-STQMWFEESA-N 1 2 330.454 0.149 20 30 ECEDLO C=C(C)COCCNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000135000917 436909371 /nfs/dbraw/zinc/90/93/71/436909371.db2.gz DXDQVLNZXVFVNY-AWEZNQCLSA-N 1 2 338.452 0.573 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NC(=O)NC2CCCCC2)C1=O ZINC000281414625 436968146 /nfs/dbraw/zinc/96/81/46/436968146.db2.gz RKDQOTSZTDYUOM-AWEZNQCLSA-N 1 2 336.436 0.864 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NC(=O)NC2CCCCC2)C1=O ZINC000281414625 436968149 /nfs/dbraw/zinc/96/81/49/436968149.db2.gz RKDQOTSZTDYUOM-AWEZNQCLSA-N 1 2 336.436 0.864 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)c2nncn2C)CC1 ZINC000275165570 436934151 /nfs/dbraw/zinc/93/41/51/436934151.db2.gz JYIVVHBQTNBBLU-KBPBESRZSA-N 1 2 333.440 0.158 20 30 ECEDLO N#Cc1cc(F)ccc1CS(=O)(=O)N1CC[NH+](CCCO)CC1 ZINC000294236708 436943565 /nfs/dbraw/zinc/94/35/65/436943565.db2.gz OVSDDMUNACBOKE-UHFFFAOYSA-N 1 2 341.408 0.527 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=C)C)CC1 ZINC000283019511 437023025 /nfs/dbraw/zinc/02/30/25/437023025.db2.gz SRWKZYLTMNDPOK-UHFFFAOYSA-N 1 2 342.447 0.845 20 30 ECEDLO CN(CCC#N)C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000283226656 437026925 /nfs/dbraw/zinc/02/69/25/437026925.db2.gz JPGBRBNJEZTEAG-UHFFFAOYSA-N 1 2 343.431 0.745 20 30 ECEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000298186752 437030505 /nfs/dbraw/zinc/03/05/05/437030505.db2.gz FADGYYNAUMFZIN-MRXNPFEDSA-N 1 2 345.443 0.726 20 30 ECEDLO CC(C)[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000284062828 437035357 /nfs/dbraw/zinc/03/53/57/437035357.db2.gz QLIORFBSANKJBB-INIZCTEOSA-N 1 2 337.445 0.881 20 30 ECEDLO C=CCN1CC[C@@H](N(C)c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1=O ZINC000281950559 437008777 /nfs/dbraw/zinc/00/87/77/437008777.db2.gz SDXPXBLNUIXFAC-LSDHHAIUSA-N 1 2 345.447 0.908 20 30 ECEDLO C=CCN1CC[C@@H](N(C)c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)C1=O ZINC000281950559 437008779 /nfs/dbraw/zinc/00/87/79/437008779.db2.gz SDXPXBLNUIXFAC-LSDHHAIUSA-N 1 2 345.447 0.908 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000298762263 437051766 /nfs/dbraw/zinc/05/17/66/437051766.db2.gz QAZFESSLBIAHRH-CYBMUJFWSA-N 1 2 344.419 0.063 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H](C)C(=O)NCC(=O)OC)c1 ZINC000298796151 437053043 /nfs/dbraw/zinc/05/30/43/437053043.db2.gz LPMCFRJCSNAKLY-GFCCVEGCSA-N 1 2 331.372 0.216 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)C(=O)NCC(=O)OC)c1 ZINC000298796151 437053045 /nfs/dbraw/zinc/05/30/45/437053045.db2.gz LPMCFRJCSNAKLY-GFCCVEGCSA-N 1 2 331.372 0.216 20 30 ECEDLO N#C[C@H]1CN(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CCO1 ZINC000336950488 303169512 /nfs/dbraw/zinc/16/95/12/303169512.db2.gz SYXQINMOECVXAO-NWDGAFQWSA-N 1 2 325.394 0.406 20 30 ECEDLO N#C[C@]1(C(=O)NC[C@H](O)C[NH+]2CCOCC2)CCc2ccccc2C1 ZINC000376167689 303172668 /nfs/dbraw/zinc/17/26/68/303172668.db2.gz SGSKVAMGHZMHNA-HKUYNNGSSA-N 1 2 343.427 0.495 20 30 ECEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCCn1cnc(C#N)n1 ZINC000286432442 437091358 /nfs/dbraw/zinc/09/13/58/437091358.db2.gz XIWFIGTZZSNFLE-UHFFFAOYSA-N 1 2 345.313 0.903 20 30 ECEDLO CN1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000265801058 437192789 /nfs/dbraw/zinc/19/27/89/437192789.db2.gz NJFZKWZTETUXRS-MRXNPFEDSA-N 1 2 341.415 0.616 20 30 ECEDLO C[N@@H+]1CCO[C@H](CNC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C1 ZINC000328690408 437252546 /nfs/dbraw/zinc/25/25/46/437252546.db2.gz IJMYTKGGVHWFEP-MCIONIFRSA-N 1 2 337.420 0.839 20 30 ECEDLO C[N@H+]1CCO[C@H](CNC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C1 ZINC000328690408 437252549 /nfs/dbraw/zinc/25/25/49/437252549.db2.gz IJMYTKGGVHWFEP-MCIONIFRSA-N 1 2 337.420 0.839 20 30 ECEDLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCCC(=O)N1 ZINC000328789189 437263632 /nfs/dbraw/zinc/26/36/32/437263632.db2.gz PUPSYRVNVNKTRK-CHWSQXEVSA-N 1 2 338.408 0.385 20 30 ECEDLO CN(C)C(=O)c1cc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)ccn1 ZINC000329025849 437306049 /nfs/dbraw/zinc/30/60/49/437306049.db2.gz NWDMCGOVPZNJJC-HUUCEWRRSA-N 1 2 347.419 0.734 20 30 ECEDLO CN(C)C(=O)c1cc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)ccn1 ZINC000329025849 437306051 /nfs/dbraw/zinc/30/60/51/437306051.db2.gz NWDMCGOVPZNJJC-HUUCEWRRSA-N 1 2 347.419 0.734 20 30 ECEDLO CC(C)[C@H](C(=O)NCC[N@@H+]1CCOC[C@@H]1C)N1CCCS1(=O)=O ZINC000329036123 437307120 /nfs/dbraw/zinc/30/71/20/437307120.db2.gz YQYNDUVXKASRRF-UONOGXRCSA-N 1 2 347.481 0.724 20 30 ECEDLO CC(C)[C@H](C(=O)NCC[N@H+]1CCOC[C@@H]1C)N1CCCS1(=O)=O ZINC000329036123 437307124 /nfs/dbraw/zinc/30/71/24/437307124.db2.gz YQYNDUVXKASRRF-UONOGXRCSA-N 1 2 347.481 0.724 20 30 ECEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)CC1 ZINC000336910741 437308925 /nfs/dbraw/zinc/30/89/25/437308925.db2.gz HYKRKCCRAKPDAR-LBPRGKRZSA-N 1 2 343.391 0.660 20 30 ECEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CCc2n[nH]nc2C1 ZINC000329058301 437309111 /nfs/dbraw/zinc/30/91/11/437309111.db2.gz YJOHOXGMXFIDPM-GFCCVEGCSA-N 1 2 345.407 0.727 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCc3nnc4n3CCCC4)C[C@H]21 ZINC000328888168 437278127 /nfs/dbraw/zinc/27/81/27/437278127.db2.gz PZDFBSCPEVMZRK-CHWSQXEVSA-N 1 2 334.424 0.433 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCc3nnc4n3CCCC4)C[C@H]21 ZINC000328888168 437278129 /nfs/dbraw/zinc/27/81/29/437278129.db2.gz PZDFBSCPEVMZRK-CHWSQXEVSA-N 1 2 334.424 0.433 20 30 ECEDLO CN(C)c1[nH+]cccc1CNC(=O)N1CCOC[C@@H]1c1ncnn1C ZINC000328884718 437279393 /nfs/dbraw/zinc/27/93/93/437279393.db2.gz NZPQNNGPPDCFPK-CYBMUJFWSA-N 1 2 345.407 0.764 20 30 ECEDLO COC(=O)c1cccc(OCC(N)=[NH+]OCCCS(C)(=O)=O)c1 ZINC000267042978 437282719 /nfs/dbraw/zinc/28/27/19/437282719.db2.gz ZYPKNCQBFXVDFZ-UHFFFAOYSA-N 1 2 344.389 0.576 20 30 ECEDLO C#CCNC(=O)[C@H](C)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000267078419 437287297 /nfs/dbraw/zinc/28/72/97/437287297.db2.gz XKGSVGQVYXSPNZ-HNNXBMFYSA-N 1 2 345.443 0.959 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(Cc2cc(OC)cc(OC)c2)CC1 ZINC000267078419 437287298 /nfs/dbraw/zinc/28/72/98/437287298.db2.gz XKGSVGQVYXSPNZ-HNNXBMFYSA-N 1 2 345.443 0.959 20 30 ECEDLO CC[C@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@@H+]1C[C@@H](C)O ZINC000288176567 437289567 /nfs/dbraw/zinc/28/95/67/437289567.db2.gz PADACPQPOMMJRN-NEPJUHHUSA-N 1 2 327.406 0.617 20 30 ECEDLO CC[C@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@H+]1C[C@@H](C)O ZINC000288176567 437289570 /nfs/dbraw/zinc/28/95/70/437289570.db2.gz PADACPQPOMMJRN-NEPJUHHUSA-N 1 2 327.406 0.617 20 30 ECEDLO CN1C(=O)N[C@@H]2CN(C(=O)NCC(C)(C)[NH+]3CCOCC3)CC[C@@H]21 ZINC000328968691 437294858 /nfs/dbraw/zinc/29/48/58/437294858.db2.gz NWYIUCCMIXLVJC-OLZOCXBDSA-N 1 2 339.440 0.314 20 30 ECEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000329280177 437346386 /nfs/dbraw/zinc/34/63/86/437346386.db2.gz MUFINYSDXDZQRM-IPYPFGDCSA-N 1 2 336.436 0.459 20 30 ECEDLO C[C@H](NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)c1nnc2ccccn21 ZINC000329361283 437357394 /nfs/dbraw/zinc/35/73/94/437357394.db2.gz ILPWQFSBGXAZJS-STQMWFEESA-N 1 2 331.424 0.540 20 30 ECEDLO C[C@H](NC(=O)NC[C@H]1CN(C)CC[N@H+]1C)c1nnc2ccccn21 ZINC000329361283 437357398 /nfs/dbraw/zinc/35/73/98/437357398.db2.gz ILPWQFSBGXAZJS-STQMWFEESA-N 1 2 331.424 0.540 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCO[C@@H]2C(=C)C)CC1 ZINC000279043081 437368421 /nfs/dbraw/zinc/36/84/21/437368421.db2.gz OQKUCHJXPFSFEC-NVXWUHKLSA-N 1 2 333.432 0.251 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCO[C@@H]2C(=C)C)CC1 ZINC000279043081 437368423 /nfs/dbraw/zinc/36/84/23/437368423.db2.gz OQKUCHJXPFSFEC-NVXWUHKLSA-N 1 2 333.432 0.251 20 30 ECEDLO CN(C(=O)CNC(=O)NC[C@H]1C[N@H+](C)CCO1)C1CCCCC1 ZINC000329441524 437369298 /nfs/dbraw/zinc/36/92/98/437369298.db2.gz NBCQBHKRHBXTER-AWEZNQCLSA-N 1 2 326.441 0.612 20 30 ECEDLO CN(C(=O)CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)C1CCCCC1 ZINC000329441524 437369299 /nfs/dbraw/zinc/36/92/99/437369299.db2.gz NBCQBHKRHBXTER-AWEZNQCLSA-N 1 2 326.441 0.612 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000337642058 437374373 /nfs/dbraw/zinc/37/43/73/437374373.db2.gz GJXDKZZGROKBLI-UHFFFAOYSA-N 1 2 327.388 0.692 20 30 ECEDLO Cn1cc(C[NH+]2CCN(CC(=O)NCC(=O)N3CCCC3)CC2)cn1 ZINC000329142598 437324869 /nfs/dbraw/zinc/32/48/69/437324869.db2.gz LIFSYRIZDYAQLJ-UHFFFAOYSA-N 1 2 348.451 0.117 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1cccc(OCC#N)c1 ZINC000267636106 437330159 /nfs/dbraw/zinc/33/01/59/437330159.db2.gz YHXUSEBHVHMFAI-OAHLLOKOSA-N 1 2 348.403 0.746 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN(CC(=O)N3CCCCCC3)CC2)C1=O ZINC000337121966 437334914 /nfs/dbraw/zinc/33/49/14/437334914.db2.gz AIRFCYOSONYYTA-QGZVFWFLSA-N 1 2 348.491 0.794 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)C1=O ZINC000337189789 437339758 /nfs/dbraw/zinc/33/97/58/437339758.db2.gz RHRHNHURODMHRZ-JKSUJKDBSA-N 1 2 335.448 0.877 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)C1=O ZINC000337189789 437339762 /nfs/dbraw/zinc/33/97/62/437339762.db2.gz RHRHNHURODMHRZ-JKSUJKDBSA-N 1 2 335.448 0.877 20 30 ECEDLO Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N[C@H]1CCCS(=O)(=O)C1 ZINC000329777141 437412302 /nfs/dbraw/zinc/41/23/02/437412302.db2.gz KIHOTPDYPYBXNX-YPMHNXCESA-N 1 2 328.438 0.908 20 30 ECEDLO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000329777141 437412305 /nfs/dbraw/zinc/41/23/05/437412305.db2.gz KIHOTPDYPYBXNX-YPMHNXCESA-N 1 2 328.438 0.908 20 30 ECEDLO COC(=O)[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C[C@H]1C ZINC000289541510 437421637 /nfs/dbraw/zinc/42/16/37/437421637.db2.gz WTISGNAKQRGMSE-DGCLKSJQSA-N 1 2 337.401 0.468 20 30 ECEDLO COC(=O)[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C[C@H]1C ZINC000289541510 437421641 /nfs/dbraw/zinc/42/16/41/437421641.db2.gz WTISGNAKQRGMSE-DGCLKSJQSA-N 1 2 337.401 0.468 20 30 ECEDLO Cn1cc(C[NH+]2CCN(C([O-])=[NH+][C@@H]3CCc4c[nH]nc4C3)CC2)cn1 ZINC000329861418 437422333 /nfs/dbraw/zinc/42/23/33/437422333.db2.gz QGERHWBIGUVEBO-OAHLLOKOSA-N 1 2 343.435 0.732 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183742673 437390443 /nfs/dbraw/zinc/39/04/43/437390443.db2.gz XGIVMKFWUDXBFN-HIFRSBDPSA-N 1 2 341.477 0.451 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183742673 437390447 /nfs/dbraw/zinc/39/04/47/437390447.db2.gz XGIVMKFWUDXBFN-HIFRSBDPSA-N 1 2 341.477 0.451 20 30 ECEDLO Cc1oc(NC(=O)C[NH2+]C2(CO)COC(C)(C)OC2)c(C#N)c1C ZINC000279295079 437391391 /nfs/dbraw/zinc/39/13/91/437391391.db2.gz PSOQREOINQVUGA-UHFFFAOYSA-N 1 2 337.376 0.810 20 30 ECEDLO N#CCNC(=O)CN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000343037160 437485345 /nfs/dbraw/zinc/48/53/45/437485345.db2.gz GVWBTLWPLKDPQJ-UHFFFAOYSA-N 1 2 336.823 0.976 20 30 ECEDLO CN(C)C(=O)c1ccc(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1 ZINC000329956948 437437724 /nfs/dbraw/zinc/43/77/24/437437724.db2.gz PWJQPVIPELMBPB-CVEARBPZSA-N 1 2 346.431 0.817 20 30 ECEDLO CN(C)C(=O)c1ccc(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc1 ZINC000329956948 437437729 /nfs/dbraw/zinc/43/77/29/437437729.db2.gz PWJQPVIPELMBPB-CVEARBPZSA-N 1 2 346.431 0.817 20 30 ECEDLO CC(=O)N1CC[C@H](NC(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000329978718 437440721 /nfs/dbraw/zinc/44/07/21/437440721.db2.gz IBXRPQLVDLHMCA-HNNXBMFYSA-N 1 2 347.419 0.543 20 30 ECEDLO C[C@H](NC(=O)C[N@@H+]1CCc2n[nH]c(=O)cc2C1)C(=O)N1CCCCC1 ZINC000330132866 437458634 /nfs/dbraw/zinc/45/86/34/437458634.db2.gz GGTPLOHIIVJLFL-LBPRGKRZSA-N 1 2 347.419 0.898 20 30 ECEDLO C[C@H](NC(=O)C[N@H+]1CCc2n[nH]c(=O)cc2C1)C(=O)N1CCCCC1 ZINC000330132866 437458638 /nfs/dbraw/zinc/45/86/38/437458638.db2.gz GGTPLOHIIVJLFL-LBPRGKRZSA-N 1 2 347.419 0.898 20 30 ECEDLO CCO[C@@H]1C[C@H](O)C12CCN(C(=O)NC[C@@H]1C[N@H+](C)CCO1)CC2 ZINC000330151273 437461244 /nfs/dbraw/zinc/46/12/44/437461244.db2.gz LJEVYEPQIOKCSA-QLFBSQMISA-N 1 2 341.452 0.483 20 30 ECEDLO CCO[C@@H]1C[C@H](O)C12CCN(C(=O)NC[C@@H]1C[N@@H+](C)CCO1)CC2 ZINC000330151273 437461246 /nfs/dbraw/zinc/46/12/46/437461246.db2.gz LJEVYEPQIOKCSA-QLFBSQMISA-N 1 2 341.452 0.483 20 30 ECEDLO CC[C@H]1CN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC[N@@H+]1CCOC ZINC000330377010 437496038 /nfs/dbraw/zinc/49/60/38/437496038.db2.gz DWGXHCKVUQUJEW-KBPBESRZSA-N 1 2 332.470 0.365 20 30 ECEDLO CC[C@H]1CN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC[N@H+]1CCOC ZINC000330377010 437496047 /nfs/dbraw/zinc/49/60/47/437496047.db2.gz DWGXHCKVUQUJEW-KBPBESRZSA-N 1 2 332.470 0.365 20 30 ECEDLO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)N(CC)C[C@@H](C)C#N)CC1 ZINC000330384728 437496883 /nfs/dbraw/zinc/49/68/83/437496883.db2.gz ZTYGOWOEVZSLPM-KBPBESRZSA-N 1 2 332.470 0.101 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000330397645 437499937 /nfs/dbraw/zinc/49/99/37/437499937.db2.gz BVUUKBVKHDVFOO-CYBMUJFWSA-N 1 2 340.453 0.016 20 30 ECEDLO CCCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000330434870 437511385 /nfs/dbraw/zinc/51/13/85/437511385.db2.gz LZVHATIIXRMKLT-GFCCVEGCSA-N 1 2 334.424 1.069 20 30 ECEDLO CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000330434870 437511389 /nfs/dbraw/zinc/51/13/89/437511389.db2.gz LZVHATIIXRMKLT-GFCCVEGCSA-N 1 2 334.424 1.069 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000353928136 437489133 /nfs/dbraw/zinc/48/91/33/437489133.db2.gz APRIRPFCOBAJHM-UHFFFAOYSA-N 1 2 326.404 0.587 20 30 ECEDLO CCCCNC(=O)NC(=O)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000330556285 437550768 /nfs/dbraw/zinc/55/07/68/437550768.db2.gz HCHMQVZVLHHOFV-BFHYXJOUSA-N 1 2 327.425 0.679 20 30 ECEDLO CCCCNC(=O)NC(=O)C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000330556285 437550774 /nfs/dbraw/zinc/55/07/74/437550774.db2.gz HCHMQVZVLHHOFV-BFHYXJOUSA-N 1 2 327.425 0.679 20 30 ECEDLO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH+]=C([O-])NCCn1cc[nH+]c1 ZINC000330573308 437557480 /nfs/dbraw/zinc/55/74/80/437557480.db2.gz KQFBQJNWRSBGJO-VXGBXAGGSA-N 1 2 329.426 0.247 20 30 ECEDLO CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC([O-])=[NH+]CCn1cc[nH+]c1 ZINC000330573308 437557483 /nfs/dbraw/zinc/55/74/83/437557483.db2.gz KQFBQJNWRSBGJO-VXGBXAGGSA-N 1 2 329.426 0.247 20 30 ECEDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000330638748 437574534 /nfs/dbraw/zinc/57/45/34/437574534.db2.gz WCKUDSNRTDURAA-NFAWXSAZSA-N 1 2 344.481 0.443 20 30 ECEDLO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000330638748 437574538 /nfs/dbraw/zinc/57/45/38/437574538.db2.gz WCKUDSNRTDURAA-NFAWXSAZSA-N 1 2 344.481 0.443 20 30 ECEDLO CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000330848775 437633933 /nfs/dbraw/zinc/63/39/33/437633933.db2.gz DGQIQEPWTVUPNB-RYUDHWBXSA-N 1 2 333.454 0.428 20 30 ECEDLO CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000330848775 437633937 /nfs/dbraw/zinc/63/39/37/437633937.db2.gz DGQIQEPWTVUPNB-RYUDHWBXSA-N 1 2 333.454 0.428 20 30 ECEDLO CC(C)N1C[C@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1=O ZINC000330876017 437639966 /nfs/dbraw/zinc/63/99/66/437639966.db2.gz UZDOJHQZSFSTDX-CYBMUJFWSA-N 1 2 326.441 0.610 20 30 ECEDLO CC(C)NC(=O)N1CCC[C@H]1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330962261 437656771 /nfs/dbraw/zinc/65/67/71/437656771.db2.gz GELJBYIMIJCVCC-KGLIPLIRSA-N 1 2 326.441 0.610 20 30 ECEDLO CC(C)NC(=O)N1CCC[C@H]1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330962261 437656776 /nfs/dbraw/zinc/65/67/76/437656776.db2.gz GELJBYIMIJCVCC-KGLIPLIRSA-N 1 2 326.441 0.610 20 30 ECEDLO CN(CC[NH+]1CCOCC1)C(=O)NC1CCC(S(C)(=O)=O)CC1 ZINC000330975117 437661829 /nfs/dbraw/zinc/66/18/29/437661829.db2.gz JOZXPWSTTHZXGD-UHFFFAOYSA-N 1 2 347.481 0.520 20 30 ECEDLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(CC#Cc2ccccc2)CC1 ZINC000361831324 437691348 /nfs/dbraw/zinc/69/13/48/437691348.db2.gz VLAHDUDGEAGPQM-GOSISDBHSA-N 1 2 341.455 0.903 20 30 ECEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292350065 437682689 /nfs/dbraw/zinc/68/26/89/437682689.db2.gz XJMLORODYQMEOK-CQSZACIVSA-N 1 2 336.417 0.462 20 30 ECEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292350065 437682696 /nfs/dbraw/zinc/68/26/96/437682696.db2.gz XJMLORODYQMEOK-CQSZACIVSA-N 1 2 336.417 0.462 20 30 ECEDLO COCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2OC)CC1 ZINC000361715669 437682774 /nfs/dbraw/zinc/68/27/74/437682774.db2.gz BRNQDNAXHYNECB-UHFFFAOYSA-N 1 2 339.417 0.520 20 30 ECEDLO C=CCSCCNC(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000355297936 437695358 /nfs/dbraw/zinc/69/53/58/437695358.db2.gz MCQGTVNOQWZVQJ-UHFFFAOYSA-N 1 2 337.449 0.089 20 30 ECEDLO CCN1CCN(S(=O)(=O)N(C)CCC#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000331164065 437704871 /nfs/dbraw/zinc/70/48/71/437704871.db2.gz HBSNHZZGHCDYKJ-GFCCVEGCSA-N 1 2 326.426 0.179 20 30 ECEDLO CC(C)NC(=O)C[NH+]1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000193602750 437712443 /nfs/dbraw/zinc/71/24/43/437712443.db2.gz YLMNLQBRGBJQMA-UHFFFAOYSA-N 1 2 343.431 0.639 20 30 ECEDLO CN(CCC#N)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000363022672 437765545 /nfs/dbraw/zinc/76/55/45/437765545.db2.gz KOFNXVXXUBRBNP-KRWDZBQOSA-N 1 2 330.432 0.849 20 30 ECEDLO CN(CCC#N)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000363022672 437765547 /nfs/dbraw/zinc/76/55/47/437765547.db2.gz KOFNXVXXUBRBNP-KRWDZBQOSA-N 1 2 330.432 0.849 20 30 ECEDLO Cn1nc([N+](=O)[O-])cc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000356445131 437765983 /nfs/dbraw/zinc/76/59/83/437765983.db2.gz IMYXDLIBPCMRSD-UHFFFAOYSA-N 1 2 336.352 0.016 20 30 ECEDLO COC(=O)[C@H]1CC[C@@H](NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000331224970 437722757 /nfs/dbraw/zinc/72/27/57/437722757.db2.gz XEKRAVVSSPNQBA-ZOBORPQBSA-N 1 2 327.425 0.941 20 30 ECEDLO C[C@H](CS(C)(=O)=O)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000331242633 437725133 /nfs/dbraw/zinc/72/51/33/437725133.db2.gz YEFUQAZGZXMAHQ-NEPJUHHUSA-N 1 2 335.470 0.111 20 30 ECEDLO C[C@H](CS(C)(=O)=O)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000331242633 437725138 /nfs/dbraw/zinc/72/51/38/437725138.db2.gz YEFUQAZGZXMAHQ-NEPJUHHUSA-N 1 2 335.470 0.111 20 30 ECEDLO Cc1noc(C)c1CNC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000331244363 437726304 /nfs/dbraw/zinc/72/63/04/437726304.db2.gz ONSHBOYWAIJKNA-GFCCVEGCSA-N 1 2 339.396 0.873 20 30 ECEDLO Cc1noc(C)c1CNC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000331244363 437726308 /nfs/dbraw/zinc/72/63/08/437726308.db2.gz ONSHBOYWAIJKNA-GFCCVEGCSA-N 1 2 339.396 0.873 20 30 ECEDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@@]2(C)CCOC2)CCO1 ZINC000331255729 437727372 /nfs/dbraw/zinc/72/73/72/437727372.db2.gz 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30 ECEDLO CCCC[C@H](ON=C(C)C)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000368622109 438354635 /nfs/dbraw/zinc/35/46/35/438354635.db2.gz CCXFWGOTXJMBBM-AWEZNQCLSA-N 1 2 326.441 0.977 20 30 ECEDLO CCCC[C@H](ON=C(C)C)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000368622109 438354640 /nfs/dbraw/zinc/35/46/40/438354640.db2.gz CCXFWGOTXJMBBM-AWEZNQCLSA-N 1 2 326.441 0.977 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(COC)(C(=O)OCC)CC1 ZINC000369148634 438429974 /nfs/dbraw/zinc/42/99/74/438429974.db2.gz VVROZWBGURZXPD-UHFFFAOYSA-N 1 2 341.408 0.290 20 30 ECEDLO C=C[C@H](CO)NC(=O)N[C@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000359473939 438443540 /nfs/dbraw/zinc/44/35/40/438443540.db2.gz FTIYORVNCCRTSF-PVXIVEMSSA-N 1 2 347.419 0.461 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCc2ccc(C#N)s2)CC1 ZINC000422218221 438534215 /nfs/dbraw/zinc/53/42/15/438534215.db2.gz MHRCLPFYSGHANC-UHFFFAOYSA-N 1 2 335.433 0.711 20 30 ECEDLO C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000440277419 438539310 /nfs/dbraw/zinc/53/93/10/438539310.db2.gz PHMYYBQJWXYSNB-CYBMUJFWSA-N 1 2 344.415 0.703 20 30 ECEDLO C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C)cc1 ZINC000440277419 438539314 /nfs/dbraw/zinc/53/93/14/438539314.db2.gz PHMYYBQJWXYSNB-CYBMUJFWSA-N 1 2 344.415 0.703 20 30 ECEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCN2C(=O)N(C)C[C@@H]2C1 ZINC000370085217 438549851 /nfs/dbraw/zinc/54/98/51/438549851.db2.gz SVPKTWRPIDAPLI-CQSZACIVSA-N 1 2 330.388 0.997 20 30 ECEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCN2C(=O)N(C)C[C@@H]2C1 ZINC000370085217 438549853 /nfs/dbraw/zinc/54/98/53/438549853.db2.gz SVPKTWRPIDAPLI-CQSZACIVSA-N 1 2 330.388 0.997 20 30 ECEDLO Cc1nc(N2CCN(C(=O)C(=O)NCC(C)(C)CC#N)CC2)cc[nH+]1 ZINC000422478375 438576931 /nfs/dbraw/zinc/57/69/31/438576931.db2.gz HEGSPRWDSXFVRX-UHFFFAOYSA-N 1 2 344.419 0.490 20 30 ECEDLO C=CCCCN(C)C(=O)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000410504808 438594017 /nfs/dbraw/zinc/59/40/17/438594017.db2.gz GFSONDCHDFMYPY-UHFFFAOYSA-N 1 2 333.436 0.489 20 30 ECEDLO CN(C)C(=O)N[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000451989823 438623669 /nfs/dbraw/zinc/62/36/69/438623669.db2.gz IZAHVYQXFJWGDF-INIZCTEOSA-N 1 2 343.431 0.910 20 30 ECEDLO CN(C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000451989823 438623672 /nfs/dbraw/zinc/62/36/72/438623672.db2.gz IZAHVYQXFJWGDF-INIZCTEOSA-N 1 2 343.431 0.910 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)CC1(C#N)CCCCC1 ZINC000452099581 438639922 /nfs/dbraw/zinc/63/99/22/438639922.db2.gz CNZRSCSXFVGNNM-CQSZACIVSA-N 1 2 329.466 0.789 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)CC1(C#N)CCCCC1 ZINC000452099581 438639925 /nfs/dbraw/zinc/63/99/25/438639925.db2.gz CNZRSCSXFVGNNM-CQSZACIVSA-N 1 2 329.466 0.789 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000410911006 438668400 /nfs/dbraw/zinc/66/84/00/438668400.db2.gz PVGUTWPDROWHFR-HNNXBMFYSA-N 1 2 333.388 0.722 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000410913420 438668464 /nfs/dbraw/zinc/66/84/64/438668464.db2.gz XBPXOCZKXXYLNG-LSDHHAIUSA-N 1 2 334.420 0.954 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000410911414 438668559 /nfs/dbraw/zinc/66/85/59/438668559.db2.gz QOZLDTLIQLBSPJ-AWEZNQCLSA-N 1 2 349.435 0.276 20 30 ECEDLO C=CCCCNC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000448382126 438682787 /nfs/dbraw/zinc/68/27/87/438682787.db2.gz MNRVNLRZACMGTF-HNNXBMFYSA-N 1 2 338.452 0.527 20 30 ECEDLO C=CCCCNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000448377002 438683461 /nfs/dbraw/zinc/68/34/61/438683461.db2.gz UBNNWWLGXABXTB-UHFFFAOYSA-N 1 2 335.408 0.236 20 30 ECEDLO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCOCC2)c1 ZINC000453590785 438684633 /nfs/dbraw/zinc/68/46/33/438684633.db2.gz IHSVNYSFTCSXAI-CYBMUJFWSA-N 1 2 330.388 0.642 20 30 ECEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000448707109 438685033 /nfs/dbraw/zinc/68/50/33/438685033.db2.gz CAEPYDOMLFJSRN-ACJLOTCBSA-N 1 2 326.400 0.979 20 30 ECEDLO CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453635069 438686086 /nfs/dbraw/zinc/68/60/86/438686086.db2.gz KTPWUGZKKMGUPH-UHFFFAOYSA-N 1 2 344.415 0.918 20 30 ECEDLO CC1(C)COCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453635069 438686091 /nfs/dbraw/zinc/68/60/91/438686091.db2.gz KTPWUGZKKMGUPH-UHFFFAOYSA-N 1 2 344.415 0.918 20 30 ECEDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2C#N)C1 ZINC000450542083 438691777 /nfs/dbraw/zinc/69/17/77/438691777.db2.gz UUMBFNQVSHOLHA-LLVKDONJSA-N 1 2 333.348 1.158 20 30 ECEDLO COC(=O)C[N@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2C#N)C1 ZINC000450542083 438691779 /nfs/dbraw/zinc/69/17/79/438691779.db2.gz UUMBFNQVSHOLHA-LLVKDONJSA-N 1 2 333.348 1.158 20 30 ECEDLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)CC2(CC#N)CC2)[C@H](C)C1 ZINC000451380702 438698836 /nfs/dbraw/zinc/69/88/36/438698836.db2.gz WMYLCYYUAXHGPU-CYBMUJFWSA-N 1 2 343.449 0.579 20 30 ECEDLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)CC2(CC#N)CC2)[C@H](C)C1 ZINC000451380702 438698838 /nfs/dbraw/zinc/69/88/38/438698838.db2.gz WMYLCYYUAXHGPU-CYBMUJFWSA-N 1 2 343.449 0.579 20 30 ECEDLO CN(C[C@@H](O)C[N@H+](C)CCC#N)S(=O)(=O)Cc1ccccc1 ZINC000414171186 438699112 /nfs/dbraw/zinc/69/91/12/438699112.db2.gz WYVNJHWRAWWLDC-HNNXBMFYSA-N 1 2 325.434 0.655 20 30 ECEDLO CN(C[C@@H](O)C[N@@H+](C)CCC#N)S(=O)(=O)Cc1ccccc1 ZINC000414171186 438699117 /nfs/dbraw/zinc/69/91/17/438699117.db2.gz WYVNJHWRAWWLDC-HNNXBMFYSA-N 1 2 325.434 0.655 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COc1ccc2c(c1)CCC(=O)N2 ZINC000576044322 438766460 /nfs/dbraw/zinc/76/64/60/438766460.db2.gz PCXMTFYGSWBRLS-QGZVFWFLSA-N 1 2 330.388 0.910 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000497256056 438786205 /nfs/dbraw/zinc/78/62/05/438786205.db2.gz BYHDBNKNELVUFQ-CXAGYDPISA-N 1 2 341.452 0.981 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000497256056 438786207 /nfs/dbraw/zinc/78/62/07/438786207.db2.gz BYHDBNKNELVUFQ-CXAGYDPISA-N 1 2 341.452 0.981 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cn1cc(C(N)=O)c2ccccc21 ZINC000514676685 438823912 /nfs/dbraw/zinc/82/39/12/438823912.db2.gz ZECDTBJBJIRMDS-QGZVFWFLSA-N 1 2 327.388 0.700 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cccc(C(=O)OC)n2)CC1 ZINC000559965483 438838121 /nfs/dbraw/zinc/83/81/21/438838121.db2.gz OPDUWQJSRFNSOL-UHFFFAOYSA-N 1 2 332.404 0.288 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)nc1 ZINC000595729903 438852117 /nfs/dbraw/zinc/85/21/17/438852117.db2.gz WOCMATTYZWUKIV-ZIAGYGMSSA-N 1 2 348.428 0.327 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)nc1 ZINC000595729903 438852121 /nfs/dbraw/zinc/85/21/21/438852121.db2.gz WOCMATTYZWUKIV-ZIAGYGMSSA-N 1 2 348.428 0.327 20 30 ECEDLO C[N@@H+]1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)[C@H](CO)C1 ZINC000601469736 438908349 /nfs/dbraw/zinc/90/83/49/438908349.db2.gz ULGIEOJWLXQGGN-NSHDSACASA-N 1 2 329.809 0.509 20 30 ECEDLO C[N@H+]1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)[C@H](CO)C1 ZINC000601469736 438908355 /nfs/dbraw/zinc/90/83/55/438908355.db2.gz ULGIEOJWLXQGGN-NSHDSACASA-N 1 2 329.809 0.509 20 30 ECEDLO N#Cc1cc(O)cc(C(=O)N2CC[NH+](CCn3cncn3)CC2)c1 ZINC000589184961 438861116 /nfs/dbraw/zinc/86/11/16/438861116.db2.gz FOIUPQMOFVJWJM-UHFFFAOYSA-N 1 2 326.360 0.313 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)c2cc(C#N)ccn2)C1=O ZINC000577766029 438870145 /nfs/dbraw/zinc/87/01/45/438870145.db2.gz PTHMYCFAEBMCOI-CYBMUJFWSA-N 1 2 338.371 0.608 20 30 ECEDLO N#CCCN1CCN(C(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000601437233 438893312 /nfs/dbraw/zinc/89/33/12/438893312.db2.gz OYIQTKFCKQYKBK-AWEZNQCLSA-N 1 2 344.419 0.174 20 30 ECEDLO CCc1nc(C#N)cc(NC[C@@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000596089593 438924223 /nfs/dbraw/zinc/92/42/23/438924223.db2.gz PYKUWADILMGYRF-INIZCTEOSA-N 1 2 333.461 1.530 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCc3[nH+]c[nH]c3C2)CC1 ZINC000590601084 438941546 /nfs/dbraw/zinc/94/15/46/438941546.db2.gz QDQALJISWCXWIT-INIZCTEOSA-N 1 2 330.436 0.460 20 30 ECEDLO N#C[C@@H](CO)NC(=O)c1ccc(NCC[NH+]2CCOCC2)c(F)c1 ZINC000601622480 438943366 /nfs/dbraw/zinc/94/33/66/438943366.db2.gz HQKCFFYOVFVKQP-ZDUSSCGKSA-N 1 2 336.367 0.184 20 30 ECEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)[C@@H](CO)C1 ZINC000601469224 438908816 /nfs/dbraw/zinc/90/88/16/438908816.db2.gz MZYKFHPSDCFMIR-LLVKDONJSA-N 1 2 329.809 0.509 20 30 ECEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)[C@@H](CO)C1 ZINC000601469224 438908821 /nfs/dbraw/zinc/90/88/21/438908821.db2.gz MZYKFHPSDCFMIR-LLVKDONJSA-N 1 2 329.809 0.509 20 30 ECEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC(Nc2cccc(C#N)c2)C1 ZINC000601675774 438953572 /nfs/dbraw/zinc/95/35/72/438953572.db2.gz PKEKQJZCBISAEK-UHFFFAOYSA-N 1 2 343.431 0.637 20 30 ECEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC(Nc2cccc(C#N)c2)C1 ZINC000601675774 438953576 /nfs/dbraw/zinc/95/35/76/438953576.db2.gz PKEKQJZCBISAEK-UHFFFAOYSA-N 1 2 343.431 0.637 20 30 ECEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1)n1cnc(C#N)n1 ZINC000601728976 438960610 /nfs/dbraw/zinc/96/06/10/438960610.db2.gz ONCYPLUISBYMMW-ZDUSSCGKSA-N 1 2 340.387 0.761 20 30 ECEDLO COCCN(CC#N)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000459546429 438974506 /nfs/dbraw/zinc/97/45/06/438974506.db2.gz SMJRBYYRTQEVTK-UHFFFAOYSA-N 1 2 346.431 0.929 20 30 ECEDLO C=CCCSCCNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000596717680 438992908 /nfs/dbraw/zinc/99/29/08/438992908.db2.gz PLNUIQQYEWGRMN-CQSZACIVSA-N 1 2 331.482 0.630 20 30 ECEDLO COC(=O)c1ccc(OC[C@H](O)C[N@H+](C)CCC#N)cc1[N+](=O)[O-] ZINC000591241766 438994439 /nfs/dbraw/zinc/99/44/39/438994439.db2.gz MFDPBNXMKDYAJN-LLVKDONJSA-N 1 2 337.332 0.967 20 30 ECEDLO COC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)cc1[N+](=O)[O-] ZINC000591241766 438994444 /nfs/dbraw/zinc/99/44/44/438994444.db2.gz MFDPBNXMKDYAJN-LLVKDONJSA-N 1 2 337.332 0.967 20 30 ECEDLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3c[nH+]c4ccc(C#N)cn34)C[C@H]21 ZINC000597215466 439058020 /nfs/dbraw/zinc/05/80/20/439058020.db2.gz CJLUPJTTXYBYTG-ZNMIVQPWSA-N 1 2 346.412 0.450 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cnc2cccnn21 ZINC000579720907 439033493 /nfs/dbraw/zinc/03/34/93/439033493.db2.gz GYKPJLKBTOLLNV-UHFFFAOYSA-N 1 2 328.376 0.417 20 30 ECEDLO CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592149755 439166485 /nfs/dbraw/zinc/16/64/85/439166485.db2.gz WAHBFXZBRKALHK-SJKOYZFVSA-N 1 2 330.388 0.724 20 30 ECEDLO CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592149755 439166489 /nfs/dbraw/zinc/16/64/89/439166489.db2.gz WAHBFXZBRKALHK-SJKOYZFVSA-N 1 2 330.388 0.724 20 30 ECEDLO CS(=O)(=O)N1CCC(NC(=O)C[N@H+](CCC#N)CC2CC2)CC1 ZINC000602778676 439135984 /nfs/dbraw/zinc/13/59/84/439135984.db2.gz NCDCVASISZIAFP-UHFFFAOYSA-N 1 2 342.465 0.152 20 30 ECEDLO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+](CCC#N)CC2CC2)CC1 ZINC000602778676 439135989 /nfs/dbraw/zinc/13/59/89/439135989.db2.gz NCDCVASISZIAFP-UHFFFAOYSA-N 1 2 342.465 0.152 20 30 ECEDLO C[C@@H]1C[NH+]([C@@H]2CCCN(c3ccn(C)n3)C2=O)C[C@@H](C)N1CC#N ZINC000602854827 439145339 /nfs/dbraw/zinc/14/53/39/439145339.db2.gz DWCJBYFJQLMYIR-RBSFLKMASA-N 1 2 330.436 0.834 20 30 ECEDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1ccc(C#N)n1C)C2 ZINC000580898909 439145850 /nfs/dbraw/zinc/14/58/50/439145850.db2.gz SVWPHXGCTXDYRF-LBPRGKRZSA-N 1 2 327.388 0.681 20 30 ECEDLO C=CCOCC[NH+]1CCN(S(=O)(=O)NCc2ccccc2)CC1 ZINC000581195129 439183297 /nfs/dbraw/zinc/18/32/97/439183297.db2.gz LLHATDBZBUMCFD-UHFFFAOYSA-N 1 2 339.461 0.841 20 30 ECEDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C[C@H](C)N1CC#N ZINC000603097098 439192425 /nfs/dbraw/zinc/19/24/25/439192425.db2.gz CBHAKPNWWLBSBP-STQMWFEESA-N 1 2 325.376 0.721 20 30 ECEDLO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597865778 439196804 /nfs/dbraw/zinc/19/68/04/439196804.db2.gz WFNPJFAWVYPBBJ-NSHDSACASA-N 1 2 347.400 0.607 20 30 ECEDLO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597865778 439196809 /nfs/dbraw/zinc/19/68/09/439196809.db2.gz WFNPJFAWVYPBBJ-NSHDSACASA-N 1 2 347.400 0.607 20 30 ECEDLO COC1CC[NH+](Cc2cn(CC(=O)N[C@](C)(C#N)C(C)C)nn2)CC1 ZINC000603170384 439200820 /nfs/dbraw/zinc/20/08/20/439200820.db2.gz BSLUKMNUOKMZEB-QGZVFWFLSA-N 1 2 348.451 0.943 20 30 ECEDLO COC1CC[NH+](Cc2cn(CC(=O)N[C@@](C)(C#N)C(C)C)nn2)CC1 ZINC000603170382 439200968 /nfs/dbraw/zinc/20/09/68/439200968.db2.gz BSLUKMNUOKMZEB-KRWDZBQOSA-N 1 2 348.451 0.943 20 30 ECEDLO COC1CC[NH+](Cc2cn(CC(=O)N[C@](C)(C#N)C3CC3)nn2)CC1 ZINC000603185178 439204671 /nfs/dbraw/zinc/20/46/71/439204671.db2.gz YJPBJRZUNYJTRB-QGZVFWFLSA-N 1 2 346.435 0.697 20 30 ECEDLO COCC[N@H+](C)Cc1cn(CC(=O)NCc2ccc(C#N)cc2)nn1 ZINC000603210841 439210163 /nfs/dbraw/zinc/21/01/63/439210163.db2.gz MEDQGLWTVJLZNA-UHFFFAOYSA-N 1 2 342.403 0.544 20 30 ECEDLO COCC[N@@H+](C)Cc1cn(CC(=O)NCc2ccc(C#N)cc2)nn1 ZINC000603210841 439210169 /nfs/dbraw/zinc/21/01/69/439210169.db2.gz MEDQGLWTVJLZNA-UHFFFAOYSA-N 1 2 342.403 0.544 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000488990230 439211343 /nfs/dbraw/zinc/21/13/43/439211343.db2.gz YFUHDNAGPIWZRH-HNNXBMFYSA-N 1 2 346.431 0.337 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\c2ccncc2)CC1 ZINC000490615636 439277141 /nfs/dbraw/zinc/27/71/41/439277141.db2.gz GUDUTFLSRSYMJC-PLNGDYQASA-N 1 2 326.400 0.379 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\c2ccncc2)CC1 ZINC000490615636 439277144 /nfs/dbraw/zinc/27/71/44/439277144.db2.gz GUDUTFLSRSYMJC-PLNGDYQASA-N 1 2 326.400 0.379 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CO[C@@H]2CCCC[C@H]2C)CC1 ZINC000490669118 439284933 /nfs/dbraw/zinc/28/49/33/439284933.db2.gz FQDKCQNQIHGKCX-IAGOWNOFSA-N 1 2 349.475 0.865 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CO[C@@H]2CCCC[C@H]2C)CC1 ZINC000490669118 439284940 /nfs/dbraw/zinc/28/49/40/439284940.db2.gz FQDKCQNQIHGKCX-IAGOWNOFSA-N 1 2 349.475 0.865 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCC1)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000527298172 439264286 /nfs/dbraw/zinc/26/42/86/439264286.db2.gz SJDTUECLMSUYPC-CQSZACIVSA-N 1 2 330.436 0.489 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(Cc2cnn(C)c2)CC1 ZINC000527298172 439264290 /nfs/dbraw/zinc/26/42/90/439264290.db2.gz SJDTUECLMSUYPC-CQSZACIVSA-N 1 2 330.436 0.489 20 30 ECEDLO C#CCN(C(=O)NCc1ccn2cc[nH+]c2c1)[C@H]1CCS(=O)(=O)C1 ZINC000490925026 439313239 /nfs/dbraw/zinc/31/32/39/439313239.db2.gz SZFHYPICFWNZRY-AWEZNQCLSA-N 1 2 346.412 0.666 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(CCC)CC(=O)OC(C)(C)C)CC1 ZINC000490932807 439313288 /nfs/dbraw/zinc/31/32/88/439313288.db2.gz AOBSCNDPGUNYDN-UHFFFAOYSA-N 1 2 337.464 0.818 20 30 ECEDLO C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2nnc3ccccn32)CC1 ZINC000490949892 439318207 /nfs/dbraw/zinc/31/82/07/439318207.db2.gz MRGDVLWKIHGOAW-AWEZNQCLSA-N 1 2 326.404 0.157 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c[nH]c3cccnc23)CC1 ZINC000491038128 439323693 /nfs/dbraw/zinc/32/36/93/439323693.db2.gz HLJAAPDVSYOKBT-UHFFFAOYSA-N 1 2 339.399 0.460 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2c[nH]c3cccnc23)CC1 ZINC000491038128 439323700 /nfs/dbraw/zinc/32/37/00/439323700.db2.gz HLJAAPDVSYOKBT-UHFFFAOYSA-N 1 2 339.399 0.460 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000491071071 439329189 /nfs/dbraw/zinc/32/91/89/439329189.db2.gz HTEJOZAGZGSYJK-UHFFFAOYSA-N 1 2 349.818 0.936 20 30 ECEDLO CC(C)[C@H]1C(=O)NCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528379204 439329710 /nfs/dbraw/zinc/32/97/10/439329710.db2.gz JGGJZTOJLNOPMK-INIZCTEOSA-N 1 2 339.395 0.742 20 30 ECEDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528379204 439329715 /nfs/dbraw/zinc/32/97/15/439329715.db2.gz JGGJZTOJLNOPMK-INIZCTEOSA-N 1 2 339.395 0.742 20 30 ECEDLO CC(=O)NC[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)CCO1 ZINC000528385664 439331357 /nfs/dbraw/zinc/33/13/57/439331357.db2.gz CHBKPTOVZDWISQ-CVEARBPZSA-N 1 2 333.388 0.135 20 30 ECEDLO CC(=O)NC[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)CCO1 ZINC000528385664 439331360 /nfs/dbraw/zinc/33/13/60/439331360.db2.gz CHBKPTOVZDWISQ-CVEARBPZSA-N 1 2 333.388 0.135 20 30 ECEDLO CC(=O)N1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1 ZINC000528404873 439332683 /nfs/dbraw/zinc/33/26/83/439332683.db2.gz OFEYWEKLJOSKMU-AWEZNQCLSA-N 1 2 339.395 0.839 20 30 ECEDLO CC(=O)N1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1 ZINC000528404873 439332686 /nfs/dbraw/zinc/33/26/86/439332686.db2.gz OFEYWEKLJOSKMU-AWEZNQCLSA-N 1 2 339.395 0.839 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)CC1 ZINC000490759763 439296209 /nfs/dbraw/zinc/29/62/09/439296209.db2.gz GJIOLSYPVBTQPF-UHFFFAOYSA-N 1 2 349.456 0.226 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCOC[C@H]2c2ccccc2)CC1 ZINC000490778717 439297574 /nfs/dbraw/zinc/29/75/74/439297574.db2.gz JQHRTJILGOVFRK-SFHVURJKSA-N 1 2 327.428 0.837 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2SCC(N)=O)CC1 ZINC000490799063 439299872 /nfs/dbraw/zinc/29/98/72/439299872.db2.gz AUOXUPUQKCHLLN-UHFFFAOYSA-N 1 2 346.456 0.453 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(C(N)=O)c(Cl)c2)CC1 ZINC000490799342 439300873 /nfs/dbraw/zinc/30/08/73/439300873.db2.gz GKTUCFNZAXLFCQ-UHFFFAOYSA-N 1 2 334.807 0.628 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCC(=O)Nc3ccccc32)CC1 ZINC000490842027 439302730 /nfs/dbraw/zinc/30/27/30/439302730.db2.gz YBULWTBQTSMKLS-UHFFFAOYSA-N 1 2 326.400 0.613 20 30 ECEDLO Cc1nn(C)c(N2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)c1C#N ZINC000598699371 439305861 /nfs/dbraw/zinc/30/58/61/439305861.db2.gz OAKWPFUUCRMVLH-UHFFFAOYSA-N 1 2 341.419 0.950 20 30 ECEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ncc(C#N)cn2)CC1 ZINC000582596158 439354338 /nfs/dbraw/zinc/35/43/38/439354338.db2.gz IKGRPCIJKOQQGT-AWEZNQCLSA-N 1 2 342.447 0.913 20 30 ECEDLO CCN1C(=O)CO[C@H](C(=O)N(C)C[C@@H](C)C#N)[C@H]1c1[nH+]ccn1C ZINC000599142813 439368096 /nfs/dbraw/zinc/36/80/96/439368096.db2.gz WBRZYSUZNXYXOB-UBHSHLNASA-N 1 2 333.392 0.327 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528780758 439368097 /nfs/dbraw/zinc/36/80/97/439368097.db2.gz LFPFCNWUBWQIDU-UPJWGTAASA-N 1 2 325.434 0.589 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528780758 439368105 /nfs/dbraw/zinc/36/81/05/439368105.db2.gz LFPFCNWUBWQIDU-UPJWGTAASA-N 1 2 325.434 0.589 20 30 ECEDLO C#C[C@H]1COCC[N@H+]1C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000491340270 439368391 /nfs/dbraw/zinc/36/83/91/439368391.db2.gz WPIIDSCSICBTHO-LSDHHAIUSA-N 1 2 330.384 0.645 20 30 ECEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000491340270 439368393 /nfs/dbraw/zinc/36/83/93/439368393.db2.gz WPIIDSCSICBTHO-LSDHHAIUSA-N 1 2 330.384 0.645 20 30 ECEDLO N#CC1(CNC(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000569884144 439372286 /nfs/dbraw/zinc/37/22/86/439372286.db2.gz ALSXEPDWUVONBT-UHFFFAOYSA-N 1 2 342.399 0.877 20 30 ECEDLO Cc1ccc(C[NH+]2CCN(CC(=O)N3CCOCC3)CC2)cc1C#N ZINC000599253405 439402635 /nfs/dbraw/zinc/40/26/35/439402635.db2.gz LCVOYFCYVGFMHJ-UHFFFAOYSA-N 1 2 342.443 0.843 20 30 ECEDLO Cc1ccc(CN2CC[NH+](CC(=O)N3CCOCC3)CC2)cc1C#N ZINC000599253405 439402640 /nfs/dbraw/zinc/40/26/40/439402640.db2.gz LCVOYFCYVGFMHJ-UHFFFAOYSA-N 1 2 342.443 0.843 20 30 ECEDLO C#CCN1C(=O)C[C@@H]([N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)C1=O ZINC000491542817 439404007 /nfs/dbraw/zinc/40/40/07/439404007.db2.gz CHTGZLRKFSUEJO-AUUYWEPGSA-N 1 2 338.363 0.857 20 30 ECEDLO C#CCN1C(=O)C[C@@H]([N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)C1=O ZINC000491542817 439404012 /nfs/dbraw/zinc/40/40/12/439404012.db2.gz CHTGZLRKFSUEJO-AUUYWEPGSA-N 1 2 338.363 0.857 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2c3ccccc3CC[C@@H]2CCO)CC1 ZINC000491451279 439384422 /nfs/dbraw/zinc/38/44/22/439384422.db2.gz FFXJMDMCVVMSPH-GOSISDBHSA-N 1 2 341.455 0.968 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2cccc(-c3ncnn3C)c2)CC1 ZINC000491624679 439414909 /nfs/dbraw/zinc/41/49/09/439414909.db2.gz JQVBCTVXIGRWNY-UHFFFAOYSA-N 1 2 339.399 0.638 20 30 ECEDLO CCOC(=O)C[C@@H](O)C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000599313839 439428015 /nfs/dbraw/zinc/42/80/15/439428015.db2.gz OLWJRRCPVYEHKT-CYBMUJFWSA-N 1 2 348.403 0.860 20 30 ECEDLO C#CCN(C(=O)C(=O)N1CC[NH+](CCOCC)CC1)C1CCCC1 ZINC000491711383 439431966 /nfs/dbraw/zinc/43/19/66/439431966.db2.gz WGFGGJURZAYRJL-UHFFFAOYSA-N 1 2 335.448 0.572 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cnc3cccc(F)c3c2=O)CC1 ZINC000491712609 439433094 /nfs/dbraw/zinc/43/30/94/439433094.db2.gz XPTFCVMBEQKOJA-UHFFFAOYSA-N 1 2 328.347 0.313 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000570686561 439441767 /nfs/dbraw/zinc/44/17/67/439441767.db2.gz FMGISTWLWTWEHH-QAPCUYQASA-N 1 2 343.431 0.894 20 30 ECEDLO C#C[C@H]1COCCN1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000491787057 439451027 /nfs/dbraw/zinc/45/10/27/439451027.db2.gz XFDMBUVXIYFZJK-HOCLYGCPSA-N 1 2 339.461 0.238 20 30 ECEDLO C#C[C@@H](C)N(C)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000491794932 439452407 /nfs/dbraw/zinc/45/24/07/439452407.db2.gz TZYFURNNCVPHAJ-OAHLLOKOSA-N 1 2 328.416 0.991 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H]([NH+]3CCN(c4nccnn4)CC3)C2=O)cc1 ZINC000599509248 439495879 /nfs/dbraw/zinc/49/58/79/439495879.db2.gz BQGFKOVUGQXMRK-MRXNPFEDSA-N 1 2 349.398 0.671 20 30 ECEDLO N#CCc1ccc(CS(=O)(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1 ZINC000571438226 439503838 /nfs/dbraw/zinc/50/38/38/439503838.db2.gz AIIUSUCETSAXEZ-INIZCTEOSA-N 1 2 334.445 0.172 20 30 ECEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCN(c2nncn2C)CC1 ZINC000594021934 439509179 /nfs/dbraw/zinc/50/91/79/439509179.db2.gz BTQOPEFUSXXHBR-CYBMUJFWSA-N 1 2 339.403 0.836 20 30 ECEDLO C#C[C@@H](C)N(C)C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000491806753 439456346 /nfs/dbraw/zinc/45/63/46/439456346.db2.gz RPRFWSDITUQUKP-CYBMUJFWSA-N 1 2 343.431 0.946 20 30 ECEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000599647106 439527515 /nfs/dbraw/zinc/52/75/15/439527515.db2.gz PEJJLBDXKKYFPR-UHFFFAOYSA-N 1 2 328.825 0.969 20 30 ECEDLO CCn1cc(C[N@H+](CCO)Cc2cnc3c(C#N)cnn3c2)cn1 ZINC000583935205 439528807 /nfs/dbraw/zinc/52/88/07/439528807.db2.gz VWOHPCOPTAJRLY-UHFFFAOYSA-N 1 2 325.376 0.812 20 30 ECEDLO CCn1cc(C[N@@H+](CCO)Cc2cnc3c(C#N)cnn3c2)cn1 ZINC000583935205 439528810 /nfs/dbraw/zinc/52/88/10/439528810.db2.gz VWOHPCOPTAJRLY-UHFFFAOYSA-N 1 2 325.376 0.812 20 30 ECEDLO C[C@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471336 439565894 /nfs/dbraw/zinc/56/58/94/439565894.db2.gz CTOQOKQYNMMNSP-RFQIPJPRSA-N 1 2 332.470 0.552 20 30 ECEDLO C[C@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471336 439565898 /nfs/dbraw/zinc/56/58/98/439565898.db2.gz CTOQOKQYNMMNSP-RFQIPJPRSA-N 1 2 332.470 0.552 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cnn(CCF)c1 ZINC000599861312 439568503 /nfs/dbraw/zinc/56/85/03/439568503.db2.gz DDQZYXAGBNOEER-UHFFFAOYSA-N 1 2 338.387 0.932 20 30 ECEDLO C[N@H+](C[C@@H]1COCCO1)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000594660870 439588596 /nfs/dbraw/zinc/58/85/96/439588596.db2.gz RZHNIRZMAGVXJF-CABCVRRESA-N 1 2 329.356 0.537 20 30 ECEDLO C[N@@H+](C[C@@H]1COCCO1)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000594660870 439588601 /nfs/dbraw/zinc/58/86/01/439588601.db2.gz RZHNIRZMAGVXJF-CABCVRRESA-N 1 2 329.356 0.537 20 30 ECEDLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1F ZINC000610085735 439597570 /nfs/dbraw/zinc/59/75/70/439597570.db2.gz KXICVFACMDTKKB-LBPRGKRZSA-N 1 2 326.397 0.221 20 30 ECEDLO Cc1cc(NCCNC(=O)Cn2cnc(C#N)n2)nc(C(C)C)[nH+]1 ZINC000600363612 439647712 /nfs/dbraw/zinc/64/77/12/439647712.db2.gz ABOLAYBHLHJXNQ-UHFFFAOYSA-N 1 2 328.380 0.600 20 30 ECEDLO CSc1[nH]c(=O)c(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1C#N ZINC000610914035 439657351 /nfs/dbraw/zinc/65/73/51/439657351.db2.gz YTDDQEJYCAVENL-BXKDBHETSA-N 1 2 336.417 0.830 20 30 ECEDLO CSc1[nH]c(=O)c(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1C#N ZINC000610914035 439657353 /nfs/dbraw/zinc/65/73/53/439657353.db2.gz YTDDQEJYCAVENL-BXKDBHETSA-N 1 2 336.417 0.830 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cn2)[C@@H](C)CO1 ZINC000595124854 439657340 /nfs/dbraw/zinc/65/73/40/439657340.db2.gz GALZVHSEDUVMNR-NWDGAFQWSA-N 1 2 331.376 0.117 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cn2)[C@@H](C)CO1 ZINC000595124854 439657343 /nfs/dbraw/zinc/65/73/43/439657343.db2.gz GALZVHSEDUVMNR-NWDGAFQWSA-N 1 2 331.376 0.117 20 30 ECEDLO C[C@H](NC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C)c1cccc(C#N)c1 ZINC000587705478 439668813 /nfs/dbraw/zinc/66/88/13/439668813.db2.gz SAZVYHQGKARGRX-KBPBESRZSA-N 1 2 344.415 0.572 20 30 ECEDLO C[C@H](NC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C)c1cccc(C#N)c1 ZINC000587705478 439668816 /nfs/dbraw/zinc/66/88/16/439668816.db2.gz SAZVYHQGKARGRX-KBPBESRZSA-N 1 2 344.415 0.572 20 30 ECEDLO N#CC1(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC2(CC2)C1 ZINC000601001089 439720891 /nfs/dbraw/zinc/72/08/91/439720891.db2.gz AFZBFCAJXJHZFI-UHFFFAOYSA-N 1 2 340.431 0.799 20 30 ECEDLO COc1ccc(NC(=O)NC(=O)C[NH+]2CCN(CCC#N)CC2)cc1 ZINC000611176274 439677472 /nfs/dbraw/zinc/67/74/72/439677472.db2.gz YBHQRETZPFCTLF-UHFFFAOYSA-N 1 2 345.403 0.875 20 30 ECEDLO Cn1c[nH+]cc1CS(=O)(=O)C[C@@H](O)COc1ccccc1C#N ZINC000600659510 439684994 /nfs/dbraw/zinc/68/49/94/439684994.db2.gz FNJWFAHKDGSDRY-AWEZNQCLSA-N 1 2 335.385 0.646 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCN(CCC#N)CC2)CC1 ZINC000611374051 439694782 /nfs/dbraw/zinc/69/47/82/439694782.db2.gz CMSPKNGPJZUNSW-KRWDZBQOSA-N 1 2 346.479 0.210 20 30 ECEDLO CNC(=O)N[C@H]1CC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000613500597 439757898 /nfs/dbraw/zinc/75/78/98/439757898.db2.gz KDWYZBCUAGTGHB-RYUDHWBXSA-N 1 2 333.417 0.728 20 30 ECEDLO CNC(=O)N[C@H]1CC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000613500597 439757899 /nfs/dbraw/zinc/75/78/99/439757899.db2.gz KDWYZBCUAGTGHB-RYUDHWBXSA-N 1 2 333.417 0.728 20 30 ECEDLO CC(C)(C#N)c1ccc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 ZINC000614174356 439771384 /nfs/dbraw/zinc/77/13/84/439771384.db2.gz PALMHZYULQJRJR-OAHLLOKOSA-N 1 2 326.400 0.630 20 30 ECEDLO CC(C)(C#N)c1ccc(C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 ZINC000614174356 439771385 /nfs/dbraw/zinc/77/13/85/439771385.db2.gz PALMHZYULQJRJR-OAHLLOKOSA-N 1 2 326.400 0.630 20 30 ECEDLO C[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)[C@H]1C[N@H+](C)CCO1 ZINC000616425566 439817487 /nfs/dbraw/zinc/81/74/87/439817487.db2.gz SCARDCPWARIACN-XHDPSFHLSA-N 1 2 341.408 0.836 20 30 ECEDLO C[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000616425566 439817488 /nfs/dbraw/zinc/81/74/88/439817488.db2.gz SCARDCPWARIACN-XHDPSFHLSA-N 1 2 341.408 0.836 20 30 ECEDLO C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3COCC[N@H+]3C)cc2C1=O ZINC000628926154 440585480 /nfs/dbraw/zinc/58/54/80/440585480.db2.gz PTDFBOIOMBXNFS-CYBMUJFWSA-N 1 2 343.383 0.529 20 30 ECEDLO C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3COCC[N@@H+]3C)cc2C1=O ZINC000628926154 440585487 /nfs/dbraw/zinc/58/54/87/440585487.db2.gz PTDFBOIOMBXNFS-CYBMUJFWSA-N 1 2 343.383 0.529 20 30 ECEDLO C=C[C@H](CO)NC(=O)c1ccc(NCC[NH+]2CCOCC2)c(F)c1 ZINC000633650456 440535881 /nfs/dbraw/zinc/53/58/81/440535881.db2.gz WOTLJZSIWISRRE-CQSZACIVSA-N 1 2 337.395 0.847 20 30 ECEDLO C=CCn1cc(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)nn1 ZINC000639276410 440698411 /nfs/dbraw/zinc/69/84/11/440698411.db2.gz YAGUOERYJRWVMV-UHFFFAOYSA-N 1 2 327.454 0.804 20 30 ECEDLO C=CCNC(=O)Cn1cc(C[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000630610226 440923950 /nfs/dbraw/zinc/92/39/50/440923950.db2.gz IJAUQDPSIZWGBH-UHFFFAOYSA-N 1 2 340.431 0.903 20 30 ECEDLO C#CC[N@H+]1CC[C@]2(CCN(C(=O)C3(S(C)(=O)=O)CCCC3)C2)C1 ZINC001041736896 782087816 /nfs/dbraw/zinc/08/78/16/782087816.db2.gz AUTLYJRMQFQQDR-INIZCTEOSA-N 1 2 338.473 0.901 20 30 ECEDLO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)C3(S(C)(=O)=O)CCCC3)C2)C1 ZINC001041736896 782087829 /nfs/dbraw/zinc/08/78/29/782087829.db2.gz AUTLYJRMQFQQDR-INIZCTEOSA-N 1 2 338.473 0.901 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000548038627 322147261 /nfs/dbraw/zinc/14/72/61/322147261.db2.gz LUPZIUVFVVBPAU-UHFFFAOYSA-N 1 2 340.427 0.998 20 30 ECEDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ncc(C#N)cc2C)C1 ZINC000562709715 322281829 /nfs/dbraw/zinc/28/18/29/322281829.db2.gz AYRDLNQKJLWURN-CYBMUJFWSA-N 1 2 330.388 0.877 20 30 ECEDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ncc(C#N)cc2C)C1 ZINC000562709715 322281831 /nfs/dbraw/zinc/28/18/31/322281831.db2.gz AYRDLNQKJLWURN-CYBMUJFWSA-N 1 2 330.388 0.877 20 30 ECEDLO CCn1nnc(C)c1Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000563438585 322318879 /nfs/dbraw/zinc/31/88/79/322318879.db2.gz HLOBJLAPYZUNIA-UHFFFAOYSA-N 1 2 342.403 0.520 20 30 ECEDLO CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)n1)[NH+]1CCOCC1 ZINC000574634628 322782654 /nfs/dbraw/zinc/78/26/54/322782654.db2.gz DOTTXSGARYNBOU-CQSZACIVSA-N 1 2 345.403 0.365 20 30 ECEDLO N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000579055509 322884605 /nfs/dbraw/zinc/88/46/05/322884605.db2.gz OTPBSEQZSFBRIH-UHFFFAOYSA-N 1 2 344.396 0.712 20 30 ECEDLO CC[C@@H](C#N)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000158895823 529267130 /nfs/dbraw/zinc/26/71/30/529267130.db2.gz UVZIOQZXTPGQLE-AWEZNQCLSA-N 1 2 329.404 0.929 20 30 ECEDLO CCOCCN1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000105830185 545737762 /nfs/dbraw/zinc/73/77/62/545737762.db2.gz DVQZKPBYCYAHTN-QGZVFWFLSA-N 1 2 333.432 0.952 20 30 ECEDLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@]1(O)CCSC1 ZINC000328990235 546011109 /nfs/dbraw/zinc/01/11/09/546011109.db2.gz VEKCNXXXGPXPEJ-HNNXBMFYSA-N 1 2 337.449 0.423 20 30 ECEDLO Cc1[nH]c2ccnn2c(=O)c1CC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000329200646 546016248 /nfs/dbraw/zinc/01/62/48/546016248.db2.gz WIMBIISFVFADBT-NSHDSACASA-N 1 2 333.392 0.551 20 30 ECEDLO C=CC[C@H]1CC[N@@H+](CC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000625702503 547205388 /nfs/dbraw/zinc/20/53/88/547205388.db2.gz GQCCACVEOUFJLB-LSDHHAIUSA-N 1 2 344.477 0.547 20 30 ECEDLO C=CC[C@H]1CC[N@H+](CC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000625702503 547205395 /nfs/dbraw/zinc/20/53/95/547205395.db2.gz GQCCACVEOUFJLB-LSDHHAIUSA-N 1 2 344.477 0.547 20 30 ECEDLO C=C[C@H](O)C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000667137337 547477487 /nfs/dbraw/zinc/47/74/87/547477487.db2.gz ZOEZGDDYVGVFDC-AWEZNQCLSA-N 1 2 339.417 0.108 20 30 ECEDLO C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2[nH+]ccn2C)CC1 ZINC000667255859 547491115 /nfs/dbraw/zinc/49/11/15/547491115.db2.gz YTLYMHCEIBNPRH-CYBMUJFWSA-N 1 2 334.424 0.111 20 30 ECEDLO C=C[C@](C)(O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000667369535 547505357 /nfs/dbraw/zinc/50/53/57/547505357.db2.gz XQBXUAXNOCGURO-SFHVURJKSA-N 1 2 334.416 0.951 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000668338025 547623195 /nfs/dbraw/zinc/62/31/95/547623195.db2.gz RJRZCVRNIZEGIB-MRXNPFEDSA-N 1 2 347.463 0.925 20 30 ECEDLO C=CCOCCCNC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000668421741 547651435 /nfs/dbraw/zinc/65/14/35/547651435.db2.gz DCDVDIWQAIZWMQ-UHFFFAOYSA-N 1 2 330.388 0.702 20 30 ECEDLO C=CCCOCCNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671397646 548137769 /nfs/dbraw/zinc/13/77/69/548137769.db2.gz MRRCFYUBSSMDRJ-UHFFFAOYSA-N 1 2 331.416 0.827 20 30 ECEDLO C=C(C)[C@H](CO)[N@@H+]1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000678050266 548992327 /nfs/dbraw/zinc/99/23/27/548992327.db2.gz WUTZBTJFSQXECM-CJNGLKHVSA-N 1 2 330.384 0.920 20 30 ECEDLO C=C(C)[C@H](CO)[N@H+]1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000678050266 548992329 /nfs/dbraw/zinc/99/23/29/548992329.db2.gz WUTZBTJFSQXECM-CJNGLKHVSA-N 1 2 330.384 0.920 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2nn(C)c3ccccc23)CC1 ZINC000678128177 549001055 /nfs/dbraw/zinc/00/10/55/549001055.db2.gz OJVUYTAQWDXRRD-UHFFFAOYSA-N 1 2 327.432 0.993 20 30 ECEDLO C#CCN(Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCS(=O)(=O)C1 ZINC000750041603 579346624 /nfs/dbraw/zinc/34/66/24/579346624.db2.gz FAXHQXOTPLWJKW-OAHLLOKOSA-N 1 2 330.413 0.890 20 30 ECEDLO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH+]=Cc2ccc(O)c(O)c2O)C1=O ZINC000751889899 579377085 /nfs/dbraw/zinc/37/70/85/579377085.db2.gz DAJGNGIPKWCKLD-UWKZMJEPSA-N 1 2 333.344 0.943 20 30 ECEDLO N#CCn1c(CN2CC[N@@H+]3CCOC[C@@H]3C2)nc2ccccc2c1=O ZINC000755208363 579430751 /nfs/dbraw/zinc/43/07/51/579430751.db2.gz ORQNJINGHOMXQJ-AWEZNQCLSA-N 1 2 339.399 0.436 20 30 ECEDLO N#CCn1c(CN2CC[N@H+]3CCOC[C@@H]3C2)nc2ccccc2c1=O ZINC000755208363 579430752 /nfs/dbraw/zinc/43/07/52/579430752.db2.gz ORQNJINGHOMXQJ-AWEZNQCLSA-N 1 2 339.399 0.436 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cn(-c2ccc(OC)cc2)nn1 ZINC000755461150 579433814 /nfs/dbraw/zinc/43/38/14/579433814.db2.gz MJJVVEGKUFHMMB-KRWDZBQOSA-N 1 2 339.399 0.990 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cn(-c2ccc(OC)cc2)nn1 ZINC000755461150 579433815 /nfs/dbraw/zinc/43/38/15/579433815.db2.gz MJJVVEGKUFHMMB-KRWDZBQOSA-N 1 2 339.399 0.990 20 30 ECEDLO C#CCOCCC(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000755590799 579435877 /nfs/dbraw/zinc/43/58/77/579435877.db2.gz PILAIIUGACVKKI-UHFFFAOYSA-N 1 2 339.436 0.695 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)cn1 ZINC000755593049 579435912 /nfs/dbraw/zinc/43/59/12/579435912.db2.gz HKBNNFXIEXOEOF-HNNXBMFYSA-N 1 2 340.427 0.832 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000755957007 579442496 /nfs/dbraw/zinc/44/24/96/579442496.db2.gz UNGNMVOLFOWYOP-NYHFZMIOSA-N 1 2 329.510 0.796 20 30 ECEDLO COC(=O)[C@H](c1ccc(C#N)cc1)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000755955590 579442516 /nfs/dbraw/zinc/44/25/16/579442516.db2.gz HPGOUYDDSPTOLC-FYSMJZIKSA-N 1 2 349.456 0.768 20 30 ECEDLO C[S@@](=O)CC[NH+]1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000755959745 579442698 /nfs/dbraw/zinc/44/26/98/579442698.db2.gz UUBJIZRKMFGFLA-HSZRJFAPSA-N 1 2 334.445 0.493 20 30 ECEDLO C#CCOCCC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000755963336 579442813 /nfs/dbraw/zinc/44/28/13/579442813.db2.gz ZELCYWNPJRWFGU-CQSZACIVSA-N 1 2 339.436 0.694 20 30 ECEDLO C#CCOCCC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000755963336 579442814 /nfs/dbraw/zinc/44/28/14/579442814.db2.gz ZELCYWNPJRWFGU-CQSZACIVSA-N 1 2 339.436 0.694 20 30 ECEDLO Cn1cc[nH+]c1CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000728546394 578289548 /nfs/dbraw/zinc/28/95/48/578289548.db2.gz HWTMLPNAERYVIB-UHFFFAOYSA-N 1 2 347.400 0.165 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000737492787 578500151 /nfs/dbraw/zinc/50/01/51/578500151.db2.gz RDBZOYQOXAUCIN-HNNXBMFYSA-N 1 2 342.399 0.526 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000737492787 578500152 /nfs/dbraw/zinc/50/01/52/578500152.db2.gz RDBZOYQOXAUCIN-HNNXBMFYSA-N 1 2 342.399 0.526 20 30 ECEDLO COCCN(C)[NH+]=Cc1c(Cl)nc(N)nc1N1CCOCC1 ZINC000794971141 578602241 /nfs/dbraw/zinc/60/22/41/578602241.db2.gz QLFOCULHLFJLQD-UHFFFAOYSA-N 1 2 328.804 0.461 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)CC1 ZINC000796431788 578625075 /nfs/dbraw/zinc/62/50/75/578625075.db2.gz XAMHXFSBUSDNEY-ZDUSSCGKSA-N 1 2 325.409 0.304 20 30 ECEDLO C[C@@H](C(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1)n1cnc(C#N)n1 ZINC000798969243 578654865 /nfs/dbraw/zinc/65/48/65/578654865.db2.gz SYWDFWWECQAVOC-NSHDSACASA-N 1 2 347.448 0.736 20 30 ECEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000799160461 578660050 /nfs/dbraw/zinc/66/00/50/578660050.db2.gz SWVCNCNNUPVIDN-CABCVRRESA-N 1 2 330.363 0.813 20 30 ECEDLO N#C[C@]1(F)CCN(C(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000786438355 578787112 /nfs/dbraw/zinc/78/71/12/578787112.db2.gz CXARSYJDNIBXGS-OAHLLOKOSA-N 1 2 328.307 0.670 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)NCCCNc1cccc[nH+]1)[C@H]1CCCO1 ZINC000788638943 578841526 /nfs/dbraw/zinc/84/15/26/578841526.db2.gz KIVLQUYHIFIKKJ-ZIAGYGMSSA-N 1 2 330.388 0.297 20 30 ECEDLO CN(C)C(=O)C1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000766611304 579089855 /nfs/dbraw/zinc/08/98/55/579089855.db2.gz IQYVUBPELCSWCO-UHFFFAOYSA-N 1 2 328.416 0.966 20 30 ECEDLO C[C@@H]1C[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C[C@H]1O ZINC000768767727 579131293 /nfs/dbraw/zinc/13/12/93/579131293.db2.gz FSDWDYSJOCYBJL-SCDSUCTJSA-N 1 2 326.356 0.824 20 30 ECEDLO C[C@@H]1C[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C[C@H]1O ZINC000768767727 579131295 /nfs/dbraw/zinc/13/12/95/579131295.db2.gz FSDWDYSJOCYBJL-SCDSUCTJSA-N 1 2 326.356 0.824 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(C(=O)OC)nc2)CC1 ZINC000769639418 579149264 /nfs/dbraw/zinc/14/92/64/579149264.db2.gz YIPDRQUXHSUVEF-UHFFFAOYSA-N 1 2 337.401 0.198 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000772060972 579199808 /nfs/dbraw/zinc/19/98/08/579199808.db2.gz LENDKELJKVWXAX-QWRGUYRKSA-N 1 2 329.422 0.367 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000772060972 579199809 /nfs/dbraw/zinc/19/98/09/579199809.db2.gz LENDKELJKVWXAX-QWRGUYRKSA-N 1 2 329.422 0.367 20 30 ECEDLO C=CCN1C(=O)C(=O)N(CC(=O)OCc2ccc(C)[nH+]c2C)C1=O ZINC000772068476 579200029 /nfs/dbraw/zinc/20/00/29/579200029.db2.gz MWCHMHJRXWWYOB-UHFFFAOYSA-N 1 2 331.328 0.718 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCCO1 ZINC000773798815 579234429 /nfs/dbraw/zinc/23/44/29/579234429.db2.gz QYWYZAFSXKUOTJ-KGLIPLIRSA-N 1 2 339.355 0.503 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776276492 579279519 /nfs/dbraw/zinc/27/95/19/579279519.db2.gz NGMDAGWVUUJBEM-INIZCTEOSA-N 1 2 348.403 0.548 20 30 ECEDLO N#Cc1cccnc1NCCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000777666229 579301355 /nfs/dbraw/zinc/30/13/55/579301355.db2.gz VXYHIJJIYOESOH-ZDUSSCGKSA-N 1 2 325.376 0.876 20 30 ECEDLO C#CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000778809487 579311312 /nfs/dbraw/zinc/31/13/12/579311312.db2.gz ANVJUSFRPSXUPW-CQSZACIVSA-N 1 2 338.367 0.965 20 30 ECEDLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC[N@@H+]1CCO ZINC000778942195 579312615 /nfs/dbraw/zinc/31/26/15/579312615.db2.gz SEVLZFXRDONVJR-CYBMUJFWSA-N 1 2 346.387 0.052 20 30 ECEDLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC[N@H+]1CCO ZINC000778942195 579312616 /nfs/dbraw/zinc/31/26/16/579312616.db2.gz SEVLZFXRDONVJR-CYBMUJFWSA-N 1 2 346.387 0.052 20 30 ECEDLO C[C@H](C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)S(C)(=O)=O ZINC000779417196 579315801 /nfs/dbraw/zinc/31/58/01/579315801.db2.gz PQQQCPQYSOOPNM-WOPDTQHZSA-N 1 2 331.438 0.768 20 30 ECEDLO COC(=O)c1cn([C@H]2CC[N@H+](Cn3cccc(C#N)c3=O)C2)nn1 ZINC000760543069 579512341 /nfs/dbraw/zinc/51/23/41/579512341.db2.gz XEAWSTNSFFIBCQ-LBPRGKRZSA-N 1 2 328.332 0.003 20 30 ECEDLO COC(=O)c1cn([C@H]2CC[N@@H+](Cn3cccc(C#N)c3=O)C2)nn1 ZINC000760543069 579512342 /nfs/dbraw/zinc/51/23/42/579512342.db2.gz XEAWSTNSFFIBCQ-LBPRGKRZSA-N 1 2 328.332 0.003 20 30 ECEDLO C#CCOc1ccc(C(=O)N2CC[NH+](CC[S@](C)=O)CC2)cc1 ZINC000743497147 579798446 /nfs/dbraw/zinc/79/84/46/579798446.db2.gz GPIGLHNXIBAECW-QHCPKHFHSA-N 1 2 334.441 0.835 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CCNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000744425446 579809252 /nfs/dbraw/zinc/80/92/52/579809252.db2.gz MTRFWWRBFBGXLH-UHFFFAOYSA-N 1 2 349.456 0.441 20 30 ECEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000746475215 579840574 /nfs/dbraw/zinc/84/05/74/579840574.db2.gz PZHDHRRMBRFUNE-JBEBIEQOSA-N 1 2 348.472 0.881 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)C2CCCCC2)CC1 ZINC000747277823 579851090 /nfs/dbraw/zinc/85/10/90/579851090.db2.gz LMHOISVTRLIBOH-UHFFFAOYSA-N 1 2 341.477 0.406 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)C2CCCCC2)CC1 ZINC000747277823 579851091 /nfs/dbraw/zinc/85/10/91/579851091.db2.gz LMHOISVTRLIBOH-UHFFFAOYSA-N 1 2 341.477 0.406 20 30 ECEDLO N#CC1(COC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCC1 ZINC000837681747 588958303 /nfs/dbraw/zinc/95/83/03/588958303.db2.gz IANAKCALWVLYFE-CQSZACIVSA-N 1 2 335.404 0.404 20 30 ECEDLO C#CCO[C@@H](C)C(=O)OCC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000837844208 588962865 /nfs/dbraw/zinc/96/28/65/588962865.db2.gz XQNMYAJSNMYURN-AWEZNQCLSA-N 1 2 334.372 0.505 20 30 ECEDLO C#Cc1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000891314592 586162533 /nfs/dbraw/zinc/16/25/33/586162533.db2.gz VGBKHAJFLORGNC-MRXNPFEDSA-N 1 2 341.411 0.787 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cnn3c2CCCC3)C1 ZINC000891602260 586181174 /nfs/dbraw/zinc/18/11/74/586181174.db2.gz KHBMISSBWUPALA-CYBMUJFWSA-N 1 2 329.404 0.372 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cnn3c2CCCC3)C1 ZINC000891602260 586181176 /nfs/dbraw/zinc/18/11/76/586181176.db2.gz KHBMISSBWUPALA-CYBMUJFWSA-N 1 2 329.404 0.372 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(C(=O)NC)c2)C1 ZINC000891608498 586181521 /nfs/dbraw/zinc/18/15/21/586181521.db2.gz YBJRUQIBQXKTNT-HNNXBMFYSA-N 1 2 342.399 0.199 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(C(=O)NC)c2)C1 ZINC000891608498 586181523 /nfs/dbraw/zinc/18/15/23/586181523.db2.gz YBJRUQIBQXKTNT-HNNXBMFYSA-N 1 2 342.399 0.199 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000891606564 586181527 /nfs/dbraw/zinc/18/15/27/586181527.db2.gz HFIIJNYYZWZSRK-CQSZACIVSA-N 1 2 343.383 0.610 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000891606564 586181528 /nfs/dbraw/zinc/18/15/28/586181528.db2.gz HFIIJNYYZWZSRK-CQSZACIVSA-N 1 2 343.383 0.610 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(SC)nc2)C1 ZINC000891605345 586181569 /nfs/dbraw/zinc/18/15/69/586181569.db2.gz CUJSWJLXLWRLRJ-CYBMUJFWSA-N 1 2 332.429 0.956 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(SC)nc2)C1 ZINC000891605345 586181570 /nfs/dbraw/zinc/18/15/70/586181570.db2.gz CUJSWJLXLWRLRJ-CYBMUJFWSA-N 1 2 332.429 0.956 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000891606071 586181680 /nfs/dbraw/zinc/18/16/80/586181680.db2.gz KLEKGGMLYSUVAQ-HNNXBMFYSA-N 1 2 343.383 0.626 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000891606071 586181682 /nfs/dbraw/zinc/18/16/82/586181682.db2.gz KLEKGGMLYSUVAQ-HNNXBMFYSA-N 1 2 343.383 0.626 20 30 ECEDLO C#CC1(O)CN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000891907055 586205078 /nfs/dbraw/zinc/20/50/78/586205078.db2.gz KHEKIRIEPGAISN-INIZCTEOSA-N 1 2 329.400 0.449 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(C)cc2OC)CC1 ZINC000895919103 586212830 /nfs/dbraw/zinc/21/28/30/586212830.db2.gz RLDMCNMOKOUSED-UHFFFAOYSA-N 1 2 337.445 0.589 20 30 ECEDLO C[C@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896540955 586250931 /nfs/dbraw/zinc/25/09/31/586250931.db2.gz ZDPCOEFBLGBGDL-GUYCJALGSA-N 1 2 329.448 0.988 20 30 ECEDLO C[C@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896540955 586250934 /nfs/dbraw/zinc/25/09/34/586250934.db2.gz ZDPCOEFBLGBGDL-GUYCJALGSA-N 1 2 329.448 0.988 20 30 ECEDLO Cn1cc(N2C(=O)C[C@H]([NH+]3CCC4(CC3)CC(=O)C=CO4)C2=O)cn1 ZINC000899253237 586478791 /nfs/dbraw/zinc/47/87/91/586478791.db2.gz KWZJDBHXKNZCRP-AWEZNQCLSA-N 1 2 344.371 0.390 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cn(C)nc2-c2cnn(C)c2)CC1 ZINC000902100250 586720519 /nfs/dbraw/zinc/72/05/19/586720519.db2.gz ZLHFQYAUFNQRTL-UHFFFAOYSA-N 1 2 341.419 0.010 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C[C@H](O)C[C@@]3(O)CCOC3)CC2)cc1 ZINC000905899804 586920921 /nfs/dbraw/zinc/92/09/21/586920921.db2.gz ZCAORKGXFJTTER-MOPGFXCFSA-N 1 2 345.443 0.578 20 30 ECEDLO CN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)c1ccc(C#N)nc1 ZINC000905992625 586927869 /nfs/dbraw/zinc/92/78/69/586927869.db2.gz VBZFOBPDKSRZMO-CVEARBPZSA-N 1 2 330.388 0.796 20 30 ECEDLO N#Cc1sccc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000906725670 586975964 /nfs/dbraw/zinc/97/59/64/586975964.db2.gz OVXSBRSLZNEGEB-LBPRGKRZSA-N 1 2 348.428 0.283 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)NCc1ccn2cc[nH+]c2c1)[C@@H]1CCCO1 ZINC000806987478 587113970 /nfs/dbraw/zinc/11/39/70/587113970.db2.gz HKENVPORTLRMTL-KGLIPLIRSA-N 1 2 326.356 0.248 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[C@H]1CCCO1 ZINC000809307911 587174098 /nfs/dbraw/zinc/17/40/98/587174098.db2.gz HZCLBMHFYYCACO-DZGCQCFKSA-N 1 2 330.388 0.413 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[C@H]1CCCO1 ZINC000809307911 587174100 /nfs/dbraw/zinc/17/41/00/587174100.db2.gz HZCLBMHFYYCACO-DZGCQCFKSA-N 1 2 330.388 0.413 20 30 ECEDLO C#CCOc1ccc(F)cc1NC(=O)C(=O)NCc1c[nH+]cn1C ZINC000810432248 587196050 /nfs/dbraw/zinc/19/60/50/587196050.db2.gz RQUNLILJOYQAOK-UHFFFAOYSA-N 1 2 330.319 0.826 20 30 ECEDLO CN(C)c1[nH+]cc(C=NN=C2NS(=O)(=O)c3ccccc32)n1C ZINC000811637984 587222711 /nfs/dbraw/zinc/22/27/11/587222711.db2.gz CRXIKNUYBFIHMK-UHFFFAOYSA-N 1 2 332.389 0.559 20 30 ECEDLO C#C[C@@H](C)NC(=O)N1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000812036370 587230452 /nfs/dbraw/zinc/23/04/52/587230452.db2.gz DORSYSUFNIWLGK-IAQYHMDHSA-N 1 2 325.372 0.847 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2nnn(Cc3cc(C)no3)c2C)CC1 ZINC000814105878 587270242 /nfs/dbraw/zinc/27/02/42/587270242.db2.gz BDOLZAKYPXAKJZ-UHFFFAOYSA-N 1 2 328.376 0.322 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCc3cccnc32)CC1 ZINC000819875375 587494342 /nfs/dbraw/zinc/49/43/42/587494342.db2.gz DXNQRERFVXLXMJ-INIZCTEOSA-N 1 2 340.427 0.395 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCc3cccnc32)CC1 ZINC000819875375 587494344 /nfs/dbraw/zinc/49/43/44/587494344.db2.gz DXNQRERFVXLXMJ-INIZCTEOSA-N 1 2 340.427 0.395 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(-c2nn[nH]n2)o1 ZINC000822810675 587681662 /nfs/dbraw/zinc/68/16/62/587681662.db2.gz KSXFGIVUDAPDOL-UHFFFAOYSA-N 1 2 331.380 0.508 20 30 ECEDLO C#C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C1CCOCC1 ZINC000823178669 587708117 /nfs/dbraw/zinc/70/81/17/587708117.db2.gz UEPVAGKRUDROBM-SJORKVTESA-N 1 2 335.448 0.921 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2[C@@H](C)NC(=O)[O-])CC1 ZINC000823457390 587721671 /nfs/dbraw/zinc/72/16/71/587721671.db2.gz YTGNCCGAFAFPCF-HUUCEWRRSA-N 1 2 336.436 0.274 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H](C)NC(=O)[O-])CC1 ZINC000823457390 587721673 /nfs/dbraw/zinc/72/16/73/587721673.db2.gz YTGNCCGAFAFPCF-HUUCEWRRSA-N 1 2 336.436 0.274 20 30 ECEDLO C#CCCN(CCOC)C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000828714219 588201022 /nfs/dbraw/zinc/20/10/22/588201022.db2.gz VYMJSUUWZBRYNO-OAHLLOKOSA-N 1 2 344.415 0.275 20 30 ECEDLO C#CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000829769678 588340803 /nfs/dbraw/zinc/34/08/03/588340803.db2.gz ZGPWLUALGNEQOS-KFWWJZLASA-N 1 2 326.462 0.756 20 30 ECEDLO C#CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000829769678 588340804 /nfs/dbraw/zinc/34/08/04/588340804.db2.gz ZGPWLUALGNEQOS-KFWWJZLASA-N 1 2 326.462 0.756 20 30 ECEDLO N#CC[C@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(F)(F)F ZINC000830204956 588365365 /nfs/dbraw/zinc/36/53/65/588365365.db2.gz QRGYWOBJUMSDTL-WOPDTQHZSA-N 1 2 335.326 0.827 20 30 ECEDLO COC(=O)Cn1cc(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)nn1 ZINC000844372248 589109525 /nfs/dbraw/zinc/10/95/25/589109525.db2.gz XKNICCFCDGPOKT-HNNXBMFYSA-N 1 2 329.360 0.488 20 30 ECEDLO COC(=O)Cn1cc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)nn1 ZINC000844372248 589109526 /nfs/dbraw/zinc/10/95/26/589109526.db2.gz XKNICCFCDGPOKT-HNNXBMFYSA-N 1 2 329.360 0.488 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC2(CSC)CC2)CC1 ZINC000845443340 589150348 /nfs/dbraw/zinc/15/03/48/589150348.db2.gz WWSFLIIWZKOJKG-UHFFFAOYSA-N 1 2 337.489 0.803 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC2(CSC)CC2)CC1 ZINC000845443340 589150350 /nfs/dbraw/zinc/15/03/50/589150350.db2.gz WWSFLIIWZKOJKG-UHFFFAOYSA-N 1 2 337.489 0.803 20 30 ECEDLO C=C(C)CONC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000846538510 589211251 /nfs/dbraw/zinc/21/12/51/589211251.db2.gz IZAYCJROBGGLGP-AWEZNQCLSA-N 1 2 325.409 0.324 20 30 ECEDLO COc1ccc(OC)c([C@H](O)C[NH+]2CCN(C(=O)CC#N)CC2)c1 ZINC000846963080 589230841 /nfs/dbraw/zinc/23/08/41/589230841.db2.gz UVQUSOAOHVWCLS-OAHLLOKOSA-N 1 2 333.388 0.795 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C(C)=C\c2ccncc2)CC1 ZINC000847445877 589247066 /nfs/dbraw/zinc/24/70/66/589247066.db2.gz IEWOQXMVGVLVHY-PEZBUJJGSA-N 1 2 340.427 0.769 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C(C)=C\c2ccncc2)CC1 ZINC000847445877 589247068 /nfs/dbraw/zinc/24/70/68/589247068.db2.gz IEWOQXMVGVLVHY-PEZBUJJGSA-N 1 2 340.427 0.769 20 30 ECEDLO C[NH+](C)CCNC(=O)C[C@@H]1S/C(=N\Cc2ccccc2)NC1=O ZINC000106898525 589251469 /nfs/dbraw/zinc/25/14/69/589251469.db2.gz XREALANZWVSHBR-ZDUSSCGKSA-N 1 2 334.445 0.842 20 30 ECEDLO CCn1cc[nH+]c1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC000848174553 589281806 /nfs/dbraw/zinc/28/18/06/589281806.db2.gz OCLMJZHYAQVRTJ-UHFFFAOYSA-N 1 2 347.400 0.258 20 30 ECEDLO N#Cc1c2c(cn(C[N@@H+]3CC[C@@H]4NC(=O)CC[C@@H]4C3)c1=O)CCC2 ZINC000853560476 589549134 /nfs/dbraw/zinc/54/91/34/589549134.db2.gz XGNSROQHKOUSAN-CJNGLKHVSA-N 1 2 326.400 0.767 20 30 ECEDLO N#Cc1c2c(cn(C[N@H+]3CC[C@@H]4NC(=O)CC[C@@H]4C3)c1=O)CCC2 ZINC000853560476 589549136 /nfs/dbraw/zinc/54/91/36/589549136.db2.gz XGNSROQHKOUSAN-CJNGLKHVSA-N 1 2 326.400 0.767 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[C@H](NC(N)=O)c2ccccc2C)CC1 ZINC000112921122 589617620 /nfs/dbraw/zinc/61/76/20/589617620.db2.gz MMCOJGYLXRZRTI-INIZCTEOSA-N 1 2 328.416 0.872 20 30 ECEDLO C[C@@H](ON=C(N)c1cccc(C[NH+]2CCOCC2)c1)C(=O)NC1CC1 ZINC000113249865 589626986 /nfs/dbraw/zinc/62/69/86/589626986.db2.gz GSWGUVPODLQOBQ-CYBMUJFWSA-N 1 2 346.431 0.823 20 30 ECEDLO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1 ZINC000857891213 589715598 /nfs/dbraw/zinc/71/55/98/589715598.db2.gz RHYPBDKCIWJXHP-CYBMUJFWSA-N 1 2 344.396 0.149 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+]C(c1ccnn1C)c1ccnn1C ZINC000860075572 589741803 /nfs/dbraw/zinc/74/18/03/589741803.db2.gz HFCIZFCQBGCLMK-KRWDZBQOSA-N 1 2 343.435 0.887 20 30 ECEDLO C#CCOc1ccccc1OS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000866748898 589767688 /nfs/dbraw/zinc/76/76/88/589767688.db2.gz CEXWNJXXULKGIG-ZDUSSCGKSA-N 1 2 325.386 0.738 20 30 ECEDLO C#CCOc1ccccc1OS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000866748898 589767692 /nfs/dbraw/zinc/76/76/92/589767692.db2.gz CEXWNJXXULKGIG-ZDUSSCGKSA-N 1 2 325.386 0.738 20 30 ECEDLO C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2COCC[N@@H+]2C)n1 ZINC000858839296 589777695 /nfs/dbraw/zinc/77/76/95/589777695.db2.gz BDXDQPQNFYQAKX-INIZCTEOSA-N 1 2 349.435 0.005 20 30 ECEDLO C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2COCC[N@H+]2C)n1 ZINC000858839296 589777697 /nfs/dbraw/zinc/77/76/97/589777697.db2.gz BDXDQPQNFYQAKX-INIZCTEOSA-N 1 2 349.435 0.005 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000121800783 589839884 /nfs/dbraw/zinc/83/98/84/589839884.db2.gz YNDIEESBJPSMEB-UHFFFAOYSA-N 1 2 342.424 0.463 20 30 ECEDLO CNC(=O)NC[C@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CCO1 ZINC000859494279 589843775 /nfs/dbraw/zinc/84/37/75/589843775.db2.gz OHTNDCQQCDSDKJ-INIZCTEOSA-N 1 2 332.404 0.957 20 30 ECEDLO CNC(=O)NC[C@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CCO1 ZINC000859494279 589843776 /nfs/dbraw/zinc/84/37/76/589843776.db2.gz OHTNDCQQCDSDKJ-INIZCTEOSA-N 1 2 332.404 0.957 20 30 ECEDLO C#CC1CCN(C(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2[nH+]ccn2C)CC1 ZINC000862100456 589920120 /nfs/dbraw/zinc/92/01/20/589920120.db2.gz RWOSETXFRIQIAH-HOTGVXAUSA-N 1 2 344.415 0.580 20 30 ECEDLO N#Cc1ccc(CC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)cn1 ZINC000870056755 589991252 /nfs/dbraw/zinc/99/12/52/589991252.db2.gz VKLUEWRCSBSGIX-MRXNPFEDSA-N 1 2 330.388 0.055 20 30 ECEDLO C#CCN(C(=O)c1ccn2cc(C)[nH+]c2c1)[C@H]1CCS(=O)(=O)C1 ZINC000874147806 590222756 /nfs/dbraw/zinc/22/27/56/590222756.db2.gz NGTLHFHPYKEPQD-AWEZNQCLSA-N 1 2 331.397 0.905 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@]2(Cc3ccccc3)CCN(C)C2=O)CC1 ZINC000874467982 590243012 /nfs/dbraw/zinc/24/30/12/590243012.db2.gz ZKDQDEMYPBZGCR-FQEVSTJZSA-N 1 2 339.439 0.855 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000875082318 590269004 /nfs/dbraw/zinc/26/90/04/590269004.db2.gz FRZQVTLHECKZFX-OAHLLOKOSA-N 1 2 344.415 0.321 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000875109899 590271996 /nfs/dbraw/zinc/27/19/96/590271996.db2.gz FCZYWJMQSJMPON-HNNXBMFYSA-N 1 2 340.383 0.643 20 30 ECEDLO C#CCN(CC#CC)C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000875886525 590343104 /nfs/dbraw/zinc/34/31/04/590343104.db2.gz PROMEUKLALTKRQ-SFHVURJKSA-N 1 2 340.427 0.951 20 30 ECEDLO C#CCN(CC#CC)C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000875886525 590343107 /nfs/dbraw/zinc/34/31/07/590343107.db2.gz PROMEUKLALTKRQ-SFHVURJKSA-N 1 2 340.427 0.951 20 30 ECEDLO C#CC[C@H](COC)NC(=O)N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000875923523 590346655 /nfs/dbraw/zinc/34/66/55/590346655.db2.gz ILKDOHMVJYEHTK-OAHLLOKOSA-N 1 2 338.452 0.220 20 30 ECEDLO CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000876284885 590371225 /nfs/dbraw/zinc/37/12/25/590371225.db2.gz YVHVYRODUMZYIL-QGZVFWFLSA-N 1 2 328.416 0.999 20 30 ECEDLO C#CCC1(O)CC[NH+](CC(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000880480073 590395065 /nfs/dbraw/zinc/39/50/65/590395065.db2.gz IMRMMNBAJGNOPH-UHFFFAOYSA-N 1 2 327.384 0.822 20 30 ECEDLO COC(=O)[C@]1(O)CC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000880564482 590404901 /nfs/dbraw/zinc/40/49/01/590404901.db2.gz NSQNLNWZWNIKNY-NHYWBVRUSA-N 1 2 335.385 0.335 20 30 ECEDLO COC(=O)[C@]1(O)CC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000880564482 590404904 /nfs/dbraw/zinc/40/49/04/590404904.db2.gz NSQNLNWZWNIKNY-NHYWBVRUSA-N 1 2 335.385 0.335 20 30 ECEDLO COc1ccc(NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1C#N ZINC000880877232 590425635 /nfs/dbraw/zinc/42/56/35/590425635.db2.gz CNBHFDYOPVHJJL-HNNXBMFYSA-N 1 2 348.403 0.724 20 30 ECEDLO CN(C)S(=O)(=O)N1CC([NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000877658931 590476785 /nfs/dbraw/zinc/47/67/85/590476785.db2.gz FVPQGVURLBGTNX-UHFFFAOYSA-N 1 2 329.813 0.187 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC000878737614 590539269 /nfs/dbraw/zinc/53/92/69/590539269.db2.gz PIIGPDRCRAOXPT-YQQAZPJKSA-N 1 2 333.432 0.085 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC000878737614 590539271 /nfs/dbraw/zinc/53/92/71/590539271.db2.gz PIIGPDRCRAOXPT-YQQAZPJKSA-N 1 2 333.432 0.085 20 30 ECEDLO C#CC[N@@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)C1CSC1 ZINC000878912447 590551152 /nfs/dbraw/zinc/55/11/52/590551152.db2.gz ZDALMKUFFQMWFF-UHFFFAOYSA-N 1 2 347.440 0.218 20 30 ECEDLO C#CC[N@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)C1CSC1 ZINC000878912447 590551155 /nfs/dbraw/zinc/55/11/55/590551155.db2.gz ZDALMKUFFQMWFF-UHFFFAOYSA-N 1 2 347.440 0.218 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2nc(Cl)cc(C3CC3)c2=O)CC1 ZINC000883021615 590602157 /nfs/dbraw/zinc/60/21/57/590602157.db2.gz BTTZSCNJCNOXMJ-UHFFFAOYSA-N 1 2 334.807 0.552 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2cc(S(N)(=O)=O)cc(C)c2C)CC1 ZINC000133059264 590676450 /nfs/dbraw/zinc/67/64/50/590676450.db2.gz QOFCZWVLDQLVTP-UHFFFAOYSA-N 1 2 335.429 0.342 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000800073653 590709877 /nfs/dbraw/zinc/70/98/77/590709877.db2.gz YQSVOXDOVVFJSK-NEPJUHHUSA-N 1 2 345.494 0.432 20 30 ECEDLO CC(C)(C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1)[NH+]1CCCCC1 ZINC000885310490 590712345 /nfs/dbraw/zinc/71/23/45/590712345.db2.gz CHKRIOCBGUTZSQ-CJNGLKHVSA-N 1 2 339.461 0.648 20 30 ECEDLO Cc1cn2ccc(C(=O)N3C[C@@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2[nH+]1 ZINC000885311204 590713301 /nfs/dbraw/zinc/71/33/01/590713301.db2.gz QAGVTAHYZOKBCI-CJNGLKHVSA-N 1 2 344.396 0.653 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cc(C)c(C(=O)OC)o2)C1 ZINC000885508043 590728663 /nfs/dbraw/zinc/72/86/63/590728663.db2.gz BOADCHMSJSPVRT-LBPRGKRZSA-N 1 2 340.401 0.751 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(C)c(C(=O)OC)o2)C1 ZINC000885508043 590728664 /nfs/dbraw/zinc/72/86/64/590728664.db2.gz BOADCHMSJSPVRT-LBPRGKRZSA-N 1 2 340.401 0.751 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc(C)cc(C(N)=O)c2)C1 ZINC000885508337 590728783 /nfs/dbraw/zinc/72/87/83/590728783.db2.gz FTUZMBFOKOCLOX-CQSZACIVSA-N 1 2 335.429 0.470 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(C)cc(C(N)=O)c2)C1 ZINC000885508337 590728788 /nfs/dbraw/zinc/72/87/88/590728788.db2.gz FTUZMBFOKOCLOX-CQSZACIVSA-N 1 2 335.429 0.470 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cnnn2-c2ccccc2)C1 ZINC000885509433 590729265 /nfs/dbraw/zinc/72/92/65/590729265.db2.gz SSXOBKUWHYYPRG-CQSZACIVSA-N 1 2 345.428 0.643 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cnnn2-c2ccccc2)C1 ZINC000885509433 590729269 /nfs/dbraw/zinc/72/92/69/590729269.db2.gz SSXOBKUWHYYPRG-CQSZACIVSA-N 1 2 345.428 0.643 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2c(C)nn(COC)c2C)C1 ZINC000885512333 590730159 /nfs/dbraw/zinc/73/01/59/590730159.db2.gz VESXFJGWGGHRFQ-AWEZNQCLSA-N 1 2 340.449 0.480 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2c(C)nn(COC)c2C)C1 ZINC000885512333 590730162 /nfs/dbraw/zinc/73/01/62/590730162.db2.gz VESXFJGWGGHRFQ-AWEZNQCLSA-N 1 2 340.449 0.480 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)NCCS(=O)(=O)C(C)(C)C)C1 ZINC000884146463 590754109 /nfs/dbraw/zinc/75/41/09/590754109.db2.gz JQHZEAQKRWPACK-ZDUSSCGKSA-N 1 2 329.466 0.597 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NCCS(=O)(=O)C(C)(C)C)C1 ZINC000884146463 590754111 /nfs/dbraw/zinc/75/41/11/590754111.db2.gz JQHZEAQKRWPACK-ZDUSSCGKSA-N 1 2 329.466 0.597 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCOCC2(CCOCC2)C1 ZINC000884332982 590807522 /nfs/dbraw/zinc/80/75/22/590807522.db2.gz ZZECXUOWFNVJSY-ZDUSSCGKSA-N 1 2 326.393 0.089 20 30 ECEDLO N#CC1(C[C@@H](O)C[NH+]2CCN(S(=O)(=O)C3CC3)CC2)CCC1 ZINC000886297071 590827565 /nfs/dbraw/zinc/82/75/65/590827565.db2.gz IIFQNXDKNFGFLB-CYBMUJFWSA-N 1 2 327.450 0.541 20 30 ECEDLO C[C@]1(C#N)CN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)CCO1 ZINC000887684888 590991603 /nfs/dbraw/zinc/99/16/03/590991603.db2.gz RJTXXUORCKOIKY-KRWDZBQOSA-N 1 2 330.388 0.668 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)NCC[C@H]2CCCS2(=O)=O)C1 ZINC000889805785 591099137 /nfs/dbraw/zinc/09/91/37/591099137.db2.gz RQOWQVXWZAMPCD-UONOGXRCSA-N 1 2 327.450 0.351 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[C@H]2CCCS2(=O)=O)C1 ZINC000889805785 591099144 /nfs/dbraw/zinc/09/91/44/591099144.db2.gz RQOWQVXWZAMPCD-UONOGXRCSA-N 1 2 327.450 0.351 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000948102197 611428705 /nfs/dbraw/zinc/42/87/05/611428705.db2.gz FPIDUSFDXRNQTG-QWHCGFSZSA-N 1 2 329.404 0.712 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1nncn1C ZINC000947175547 611450529 /nfs/dbraw/zinc/45/05/29/611450529.db2.gz SIBBJQQKHPQCBK-AAEUAGOBSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1Cc1nncn1C ZINC000947175547 611450532 /nfs/dbraw/zinc/45/05/32/611450532.db2.gz SIBBJQQKHPQCBK-AAEUAGOBSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000948209131 611469221 /nfs/dbraw/zinc/46/92/21/611469221.db2.gz LTFQWARRFYFZBZ-BXUZGUMPSA-N 1 2 326.360 0.360 20 30 ECEDLO COC1(OC)CC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C[C@@H]1O ZINC000931635550 611558845 /nfs/dbraw/zinc/55/88/45/611558845.db2.gz JSTTYLDJWFEMIH-DOMZBBRYSA-N 1 2 333.388 0.941 20 30 ECEDLO COC1(OC)CC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C[C@@H]1O ZINC000931635550 611558846 /nfs/dbraw/zinc/55/88/46/611558846.db2.gz JSTTYLDJWFEMIH-DOMZBBRYSA-N 1 2 333.388 0.941 20 30 ECEDLO COC1(OC)CC[N@H+](CC(=O)NC2(C#N)CCCCC2)C[C@H]1O ZINC000931643718 611561146 /nfs/dbraw/zinc/56/11/46/611561146.db2.gz ADWCFYRMBGMFCT-CYBMUJFWSA-N 1 2 325.409 0.385 20 30 ECEDLO COC1(OC)CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C[C@H]1O ZINC000931643718 611561148 /nfs/dbraw/zinc/56/11/48/611561148.db2.gz ADWCFYRMBGMFCT-CYBMUJFWSA-N 1 2 325.409 0.385 20 30 ECEDLO N#CCCNC(=O)C[NH+]1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000932045746 611595247 /nfs/dbraw/zinc/59/52/47/611595247.db2.gz HJPYXEPWGVAXDU-UHFFFAOYSA-N 1 2 342.399 0.673 20 30 ECEDLO CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000937351836 608613099 /nfs/dbraw/zinc/61/30/99/608613099.db2.gz HBTOAGXLTWCVLO-DOTOQJQBSA-N 1 2 340.427 0.918 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@](CO)(NC(=O)OC(C)(C)C)C1 ZINC000932696711 611656874 /nfs/dbraw/zinc/65/68/74/611656874.db2.gz WUAHBCOOGFZVRB-SUMWQHHRSA-N 1 2 339.436 0.476 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@](CO)(NC(=O)OC(C)(C)C)C1 ZINC000932696711 611656876 /nfs/dbraw/zinc/65/68/76/611656876.db2.gz WUAHBCOOGFZVRB-SUMWQHHRSA-N 1 2 339.436 0.476 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)[C@@H](C)C2)C1 ZINC000947701960 611659165 /nfs/dbraw/zinc/65/91/65/611659165.db2.gz HOLUIUXSDYCFFX-STQMWFEESA-N 1 2 333.436 0.934 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)[C@@H](C)C2)C1 ZINC000947701960 611659167 /nfs/dbraw/zinc/65/91/67/611659167.db2.gz HOLUIUXSDYCFFX-STQMWFEESA-N 1 2 333.436 0.934 20 30 ECEDLO C#CC1(O)CN(CC(=O)N2CC[NH+](Cc3ccc(OC)cc3)CC2)C1 ZINC000934450359 608823374 /nfs/dbraw/zinc/82/33/74/608823374.db2.gz ZKRWKFXYBAUXAY-UHFFFAOYSA-N 1 2 343.427 0.019 20 30 ECEDLO C=CC[C@H](OC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(=O)OC ZINC000923774771 608919376 /nfs/dbraw/zinc/91/93/76/608919376.db2.gz XWPVJQGNHKCHGL-RDBSUJKOSA-N 1 2 327.377 0.527 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3cnn(C)n3)[C@H](C)C2)c1 ZINC000947711656 608934361 /nfs/dbraw/zinc/93/43/61/608934361.db2.gz XSTKLWSGCYYUSY-CJNGLKHVSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(C)n3)[C@H](C)C2)c1 ZINC000947711656 608934363 /nfs/dbraw/zinc/93/43/63/608934363.db2.gz XSTKLWSGCYYUSY-CJNGLKHVSA-N 1 2 338.415 0.974 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000936116902 608961697 /nfs/dbraw/zinc/96/16/97/608961697.db2.gz WHQPTIGVFNKGBS-NFAWXSAZSA-N 1 2 332.404 0.569 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000937796502 609089819 /nfs/dbraw/zinc/08/98/19/609089819.db2.gz YIIMWCKHDCBBJK-LBPRGKRZSA-N 1 2 326.360 0.491 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3ncnc4[nH]cnc43)n2CC)CC1 ZINC000908856480 609665535 /nfs/dbraw/zinc/66/55/35/609665535.db2.gz NTPFKPDMNVUIOX-UHFFFAOYSA-N 1 2 337.391 0.338 20 30 ECEDLO Cn1cc([C@@H]2CN(C(=O)COc3ccccc3C#N)CC[NH2+]2)cn1 ZINC000913474899 609679173 /nfs/dbraw/zinc/67/91/73/609679173.db2.gz HSPNXYIYRMOOMU-HNNXBMFYSA-N 1 2 325.372 0.844 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)nn1 ZINC000938993274 610064711 /nfs/dbraw/zinc/06/47/11/610064711.db2.gz KMSVIZNTQCIZES-LBPRGKRZSA-N 1 2 343.391 0.151 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000939306392 610156962 /nfs/dbraw/zinc/15/69/62/610156962.db2.gz HWMWMLLGUREOJE-MCIONIFRSA-N 1 2 332.404 0.603 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000939909918 610169812 /nfs/dbraw/zinc/16/98/12/610169812.db2.gz JCGHQVTWMGBROC-VYDXJSESSA-N 1 2 346.431 0.993 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(C4CC4)nn3C)CC2)C1 ZINC000941427077 610301151 /nfs/dbraw/zinc/30/11/51/610301151.db2.gz NEWKTYYDMXPYJV-UHFFFAOYSA-N 1 2 341.459 0.763 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c(C4CCC4)cnn3C)CC2)C1 ZINC000941419721 610306048 /nfs/dbraw/zinc/30/60/48/610306048.db2.gz CCLYOVAKYMRIRY-UHFFFAOYSA-N 1 2 341.459 0.763 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c(Cl)cnn3CC)CC2)C1 ZINC000941420025 610306167 /nfs/dbraw/zinc/30/61/67/610306167.db2.gz NZNHHBUEJFUBMT-UHFFFAOYSA-N 1 2 335.839 0.632 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3Cc4ccccc4O3)CC2)C1 ZINC000941422371 610307575 /nfs/dbraw/zinc/30/75/75/610307575.db2.gz LNVPURMILJZLPH-SFHVURJKSA-N 1 2 339.439 0.842 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cn3ccc(C(F)F)n3)CC2)C1 ZINC000941430684 610311761 /nfs/dbraw/zinc/31/17/61/610311761.db2.gz BBIFYNGKWHJEIL-UHFFFAOYSA-N 1 2 337.374 0.282 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnc4ccccn34)CC2)C1 ZINC000941467723 610328432 /nfs/dbraw/zinc/32/84/32/610328432.db2.gz GTONOGRWZMXUOT-UHFFFAOYSA-N 1 2 337.427 0.800 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3c(C)nn(C)c3Cl)CC2)C1 ZINC000941475271 610331783 /nfs/dbraw/zinc/33/17/83/610331783.db2.gz MUWONYRDNDNODC-UHFFFAOYSA-N 1 2 349.866 0.386 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(CC)[nH]c(=O)c3)CC2)C1 ZINC000941489689 610339591 /nfs/dbraw/zinc/33/95/91/610339591.db2.gz OFKTXGZTNYUJTO-UHFFFAOYSA-N 1 2 328.416 0.425 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4cccnc43)CC2)C1 ZINC000941537931 610357400 /nfs/dbraw/zinc/35/74/00/610357400.db2.gz QZSUKJXTNOTAPY-SFHVURJKSA-N 1 2 338.455 0.963 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cccnc3OC)CC2)C1 ZINC000941544830 610369559 /nfs/dbraw/zinc/36/95/59/610369559.db2.gz AXVHAONJBODKLY-UHFFFAOYSA-N 1 2 328.416 0.556 20 30 ECEDLO C#CCOc1ccc(C(=O)N2CCN(C3C[NH+](CC#C)C3)CC2)cc1 ZINC000941596475 610414240 /nfs/dbraw/zinc/41/42/40/610414240.db2.gz IDYFIJVKEICCOD-UHFFFAOYSA-N 1 2 337.423 0.774 20 30 ECEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000940873617 610421034 /nfs/dbraw/zinc/42/10/34/610421034.db2.gz RZJUAWLYUMSHHN-ZIAGYGMSSA-N 1 2 326.462 0.661 20 30 ECEDLO C#CC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000940873617 610421036 /nfs/dbraw/zinc/42/10/36/610421036.db2.gz RZJUAWLYUMSHHN-ZIAGYGMSSA-N 1 2 326.462 0.661 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)COc3ccccc3F)CC2)C1 ZINC000941660563 610433691 /nfs/dbraw/zinc/43/36/91/610433691.db2.gz QPCAAMCVZGXLQU-UHFFFAOYSA-N 1 2 331.391 0.666 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ncccc3OC(C)C)CC2)C1 ZINC000941653231 610442580 /nfs/dbraw/zinc/44/25/80/610442580.db2.gz JDOASUUVDGELNM-UHFFFAOYSA-N 1 2 342.443 0.944 20 30 ECEDLO C[NH+](C)[C@@H](C(=O)N1CCN(C2CN(CC#N)C2)CC1)c1cccnc1 ZINC000941676661 610449418 /nfs/dbraw/zinc/44/94/18/610449418.db2.gz DDADYEMGDPPNEW-QGZVFWFLSA-N 1 2 342.447 0.036 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC000942549987 610509139 /nfs/dbraw/zinc/50/91/39/610509139.db2.gz PNDOKCFLCCZYGE-ZIAGYGMSSA-N 1 2 334.420 0.827 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3nncn3C)C[C@H]2C)c1 ZINC000942618778 610537718 /nfs/dbraw/zinc/53/77/18/610537718.db2.gz WVFLMMBCSLSXGV-CJNGLKHVSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3nncn3C)C[C@H]2C)c1 ZINC000942618778 610537721 /nfs/dbraw/zinc/53/77/21/610537721.db2.gz WVFLMMBCSLSXGV-CJNGLKHVSA-N 1 2 338.415 0.832 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ncn[nH]3)C(C)(C)C2)C1=O ZINC000941110983 610542756 /nfs/dbraw/zinc/54/27/56/610542756.db2.gz NJHXWTOZFXAGKY-OLZOCXBDSA-N 1 2 346.435 0.422 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ncn[nH]3)C(C)(C)C2)C1=O ZINC000941110983 610542757 /nfs/dbraw/zinc/54/27/57/610542757.db2.gz NJHXWTOZFXAGKY-OLZOCXBDSA-N 1 2 346.435 0.422 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3nc[nH]n3)C(C)(C)C2)C1=O ZINC000941110983 610542758 /nfs/dbraw/zinc/54/27/58/610542758.db2.gz NJHXWTOZFXAGKY-OLZOCXBDSA-N 1 2 346.435 0.422 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3nc[nH]n3)C(C)(C)C2)C1=O ZINC000941110983 610542760 /nfs/dbraw/zinc/54/27/60/610542760.db2.gz NJHXWTOZFXAGKY-OLZOCXBDSA-N 1 2 346.435 0.422 20 30 ECEDLO Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)[nH]1 ZINC000941929035 610566877 /nfs/dbraw/zinc/56/68/77/610566877.db2.gz IJHDYULQTKSWPF-ZWNOBZJWSA-N 1 2 327.392 0.953 20 30 ECEDLO Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)[nH]1 ZINC000941929035 610566878 /nfs/dbraw/zinc/56/68/78/610566878.db2.gz IJHDYULQTKSWPF-ZWNOBZJWSA-N 1 2 327.392 0.953 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000942720126 610584572 /nfs/dbraw/zinc/58/45/72/610584572.db2.gz OHEIQCLQGLAHHD-HUUCEWRRSA-N 1 2 337.464 0.979 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000942720126 610584574 /nfs/dbraw/zinc/58/45/74/610584574.db2.gz OHEIQCLQGLAHHD-HUUCEWRRSA-N 1 2 337.464 0.979 20 30 ECEDLO C[C@H]1C[N@H+](Cc2ncnn2C)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941962475 610585493 /nfs/dbraw/zinc/58/54/93/610585493.db2.gz FIJIKUGFDKNBNI-FZMZJTMJSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@H]1C[N@@H+](Cc2ncnn2C)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941962475 610585494 /nfs/dbraw/zinc/58/54/94/610585494.db2.gz FIJIKUGFDKNBNI-FZMZJTMJSA-N 1 2 327.392 0.655 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@@H](C)N3CCCCC3=O)CC2)C1 ZINC000941403577 610720269 /nfs/dbraw/zinc/72/02/69/610720269.db2.gz BUBSSOZTOJGEOT-MRXNPFEDSA-N 1 2 346.475 0.239 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000944149304 610748327 /nfs/dbraw/zinc/74/83/27/610748327.db2.gz QQZHHGOSTJDNEG-CQSZACIVSA-N 1 2 340.387 0.583 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cn(C)nn3)C[C@@H]2C)cn1 ZINC000944213139 610785394 /nfs/dbraw/zinc/78/53/94/610785394.db2.gz AXRWYNLGAJAKQE-SUMWQHHRSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cn(C)nn3)C[C@@H]2C)cn1 ZINC000944213139 610785396 /nfs/dbraw/zinc/78/53/96/610785396.db2.gz AXRWYNLGAJAKQE-SUMWQHHRSA-N 1 2 338.415 0.832 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CCN(C(=O)[C@@H](C)C#N)CC2 ZINC000945029801 610886635 /nfs/dbraw/zinc/88/66/35/610886635.db2.gz BYHKPVXAAWTWEN-LBPRGKRZSA-N 1 2 329.404 0.871 20 30 ECEDLO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000945252200 610982133 /nfs/dbraw/zinc/98/21/33/610982133.db2.gz JQSHFLFVKQQRRM-RISCZKNCSA-N 1 2 340.387 0.819 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)Cn2cc[nH+]c2)c[nH]1 ZINC000946243945 611169319 /nfs/dbraw/zinc/16/93/19/611169319.db2.gz YPLLTAWAUAMAIS-DOMZBBRYSA-N 1 2 340.387 0.798 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)Cc2[nH]cc[nH+]2)[nH]1 ZINC000946292623 611200563 /nfs/dbraw/zinc/20/05/63/611200563.db2.gz KJMBLRGVXSNSON-WCQYABFASA-N 1 2 340.387 0.867 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)N1CCOc2ccccc21 ZINC000923226019 611216699 /nfs/dbraw/zinc/21/66/99/611216699.db2.gz YDINMTBEUMYNAU-HNNXBMFYSA-N 1 2 327.384 0.626 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)N1CCOc2ccccc21 ZINC000923226019 611216711 /nfs/dbraw/zinc/21/67/11/611216711.db2.gz YDINMTBEUMYNAU-HNNXBMFYSA-N 1 2 327.384 0.626 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2sccc2S(N)(=O)=O)C1 ZINC000923556244 611262165 /nfs/dbraw/zinc/26/21/65/611262165.db2.gz WRSALBKBIARGCD-JTQLQIEISA-N 1 2 327.431 0.223 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2sccc2S(N)(=O)=O)C1 ZINC000923556244 611262167 /nfs/dbraw/zinc/26/21/67/611262167.db2.gz WRSALBKBIARGCD-JTQLQIEISA-N 1 2 327.431 0.223 20 30 ECEDLO N#Cc1cc(C(=O)N2CCC(NC(=O)Cn3cc[nH+]c3)CC2)c[nH]1 ZINC000946512584 611293836 /nfs/dbraw/zinc/29/38/36/611293836.db2.gz QTSVGZZUHPKPAD-UHFFFAOYSA-N 1 2 326.360 0.504 20 30 ECEDLO COCCS(=O)(=O)CCC[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933652029 611738559 /nfs/dbraw/zinc/73/85/59/611738559.db2.gz NGGPCMHHOROKQT-UHFFFAOYSA-N 1 2 331.434 0.775 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cnn(C)n3)[C@@H](C)C2)cn1 ZINC000947949578 611752910 /nfs/dbraw/zinc/75/29/10/611752910.db2.gz XQJPYVBVWBADDQ-XJKSGUPXSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnn(C)n3)[C@@H](C)C2)cn1 ZINC000947949578 611752912 /nfs/dbraw/zinc/75/29/12/611752912.db2.gz XQJPYVBVWBADDQ-XJKSGUPXSA-N 1 2 338.415 0.974 20 30 ECEDLO CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(Cc2ccc(C#N)s2)C1 ZINC000949830539 611771868 /nfs/dbraw/zinc/77/18/68/611771868.db2.gz QCXKDRGZMSRXSJ-MRXNPFEDSA-N 1 2 348.472 0.983 20 30 ECEDLO CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(Cc2ccc(C#N)s2)C1 ZINC000949830539 611771871 /nfs/dbraw/zinc/77/18/71/611771871.db2.gz QCXKDRGZMSRXSJ-MRXNPFEDSA-N 1 2 348.472 0.983 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCOC2(CC[NH+](Cc3nccn3C)CC2)C1 ZINC000949051696 611829509 /nfs/dbraw/zinc/82/95/09/611829509.db2.gz NWUCNNXOSVHSIW-CQSZACIVSA-N 1 2 331.420 0.773 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000950739739 611874937 /nfs/dbraw/zinc/87/49/37/611874937.db2.gz ACURMADDGVCSOJ-HUUCEWRRSA-N 1 2 326.400 0.576 20 30 ECEDLO O=C(C#CC1CC1)N1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000950764970 611896455 /nfs/dbraw/zinc/89/64/55/611896455.db2.gz YNAOFRCYFLNRJZ-HOTGVXAUSA-N 1 2 340.427 0.966 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000949298028 611931079 /nfs/dbraw/zinc/93/10/79/611931079.db2.gz HTZMPMLCXYQTMA-BXUZGUMPSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000949298028 611931081 /nfs/dbraw/zinc/93/10/81/611931081.db2.gz HTZMPMLCXYQTMA-BXUZGUMPSA-N 1 2 340.387 0.819 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)Cc2ccn[nH]2)C1 ZINC000950277169 611946814 /nfs/dbraw/zinc/94/68/14/611946814.db2.gz JPFDICXDJNKJKO-HOTGVXAUSA-N 1 2 343.431 0.157 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)Cc2ccn[nH]2)C1 ZINC000950277169 611946817 /nfs/dbraw/zinc/94/68/17/611946817.db2.gz JPFDICXDJNKJKO-HOTGVXAUSA-N 1 2 343.431 0.157 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)nn1 ZINC000950854983 611947082 /nfs/dbraw/zinc/94/70/82/611947082.db2.gz VWMACJSINBSLAD-CYBMUJFWSA-N 1 2 343.391 0.082 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000949387324 611960592 /nfs/dbraw/zinc/96/05/92/611960592.db2.gz KPSZPQGGVWNGTK-HIFRSBDPSA-N 1 2 343.431 0.960 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000949387938 611961146 /nfs/dbraw/zinc/96/11/46/611961146.db2.gz WWUBXQGDXITLDZ-HIFRSBDPSA-N 1 2 343.431 0.960 20 30 ECEDLO N#CCN1CCOC2(CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC2)C1 ZINC000949401683 611965803 /nfs/dbraw/zinc/96/58/03/611965803.db2.gz JGZWBYVWJCEOHY-OAHLLOKOSA-N 1 2 343.431 0.662 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CC(=O)N[C@@H](CC)C3)CC2)C1 ZINC000949423491 611973965 /nfs/dbraw/zinc/97/39/65/611973965.db2.gz DQEFSSUGTMEXQI-CVEARBPZSA-N 1 2 347.459 0.618 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CC(=O)N[C@@H](CC)C3)CC2)C1 ZINC000949423491 611973967 /nfs/dbraw/zinc/97/39/67/611973967.db2.gz DQEFSSUGTMEXQI-CVEARBPZSA-N 1 2 347.459 0.618 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000950368850 611989568 /nfs/dbraw/zinc/98/95/68/611989568.db2.gz ABUIKLLZVWRPOT-IAQYHMDHSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000950368850 611989570 /nfs/dbraw/zinc/98/95/70/611989570.db2.gz ABUIKLLZVWRPOT-IAQYHMDHSA-N 1 2 340.387 0.819 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](C)[C@H]3CCC(=O)N3)CC2)C1 ZINC000949480704 611996332 /nfs/dbraw/zinc/99/63/32/611996332.db2.gz XFPOQGBNIINSPR-LSDHHAIUSA-N 1 2 333.432 0.228 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](C)[C@H]3CCC(=O)N3)CC2)C1 ZINC000949480704 611996333 /nfs/dbraw/zinc/99/63/33/611996333.db2.gz XFPOQGBNIINSPR-LSDHHAIUSA-N 1 2 333.432 0.228 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC[C@@H](C(N)=O)C3)CC2)C1 ZINC000949487141 612000643 /nfs/dbraw/zinc/00/06/43/612000643.db2.gz OEXAINZBOQKFGO-HZPDHXFCSA-N 1 2 347.459 0.605 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC[C@@H](C(N)=O)C3)CC2)C1 ZINC000949487141 612000646 /nfs/dbraw/zinc/00/06/46/612000646.db2.gz OEXAINZBOQKFGO-HZPDHXFCSA-N 1 2 347.459 0.605 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000949498264 612007956 /nfs/dbraw/zinc/00/79/56/612007956.db2.gz RHXWLTQCZWVRFN-ABAIWWIYSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000949498264 612007958 /nfs/dbraw/zinc/00/79/58/612007958.db2.gz RHXWLTQCZWVRFN-ABAIWWIYSA-N 1 2 340.387 0.819 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCN(C(C)=O)C3)CC2)C1 ZINC000949520444 612018635 /nfs/dbraw/zinc/01/86/35/612018635.db2.gz SLWBLPJQQGITFE-INIZCTEOSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCN(C(C)=O)C3)CC2)C1 ZINC000949520444 612018637 /nfs/dbraw/zinc/01/86/37/612018637.db2.gz SLWBLPJQQGITFE-INIZCTEOSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cc(C(N)=O)ccn3)CC2)C1 ZINC000949536785 612025263 /nfs/dbraw/zinc/02/52/63/612025263.db2.gz LWDOGBLGINROBH-UHFFFAOYSA-N 1 2 342.399 0.121 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cc(C(N)=O)ccn3)CC2)C1 ZINC000949536785 612025265 /nfs/dbraw/zinc/02/52/65/612025265.db2.gz LWDOGBLGINROBH-UHFFFAOYSA-N 1 2 342.399 0.121 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC000952750520 612089928 /nfs/dbraw/zinc/08/99/28/612089928.db2.gz DRFDAWXCSKMMES-IYBDPMFKSA-N 1 2 340.427 0.968 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000952067366 612210544 /nfs/dbraw/zinc/21/05/44/612210544.db2.gz VCHMKFOXJIBCGK-ZNMIVQPWSA-N 1 2 332.404 0.581 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC000952149591 612248517 /nfs/dbraw/zinc/24/85/17/612248517.db2.gz SRSJBKQSHCSETA-LBPRGKRZSA-N 1 2 326.360 0.573 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CCc1[nH+]ccn1C ZINC000952174249 612264293 /nfs/dbraw/zinc/26/42/93/612264293.db2.gz FSHQICKQWNPDDF-KFWWJZLASA-N 1 2 346.431 0.661 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC000953452712 612360179 /nfs/dbraw/zinc/36/01/79/612360179.db2.gz QCORFEZGRVLIGS-ZBFHGGJFSA-N 1 2 326.400 0.815 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000953989681 612527256 /nfs/dbraw/zinc/52/72/56/612527256.db2.gz ADWYUURLSOVGIY-UHFFFAOYSA-N 1 2 340.387 0.535 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000955442397 612589547 /nfs/dbraw/zinc/58/95/47/612589547.db2.gz GFWQXNMGYPYRFG-HOCLYGCPSA-N 1 2 332.404 0.603 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC000951814320 612654381 /nfs/dbraw/zinc/65/43/81/612654381.db2.gz JLIXCWQTVVVPMF-AWEZNQCLSA-N 1 2 337.383 0.750 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CCCN2C(=O)CCc2c[nH]c[nH+]2)c[nH]1 ZINC000956063442 612667153 /nfs/dbraw/zinc/66/71/53/612667153.db2.gz APOOHTNSYRWZMO-HNNXBMFYSA-N 1 2 340.387 0.963 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CCCN2C(=O)CCc2c[nH+]c[nH]2)c[nH]1 ZINC000956063442 612667156 /nfs/dbraw/zinc/66/71/56/612667156.db2.gz APOOHTNSYRWZMO-HNNXBMFYSA-N 1 2 340.387 0.963 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@]2(C)CCN(C(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC000956930338 612713663 /nfs/dbraw/zinc/71/36/63/612713663.db2.gz VADCETRTNAQBGX-INIZCTEOSA-N 1 2 343.391 0.151 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)Cc2[nH]cc[nH+]2)[nH]1 ZINC000956179765 612762508 /nfs/dbraw/zinc/76/25/08/612762508.db2.gz XBPOYXKIZMOWAP-LBPRGKRZSA-N 1 2 326.360 0.573 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)Cc3c[nH+]cn3C)C2)nc1 ZINC000954916323 612785310 /nfs/dbraw/zinc/78/53/10/612785310.db2.gz GMBLRWYMKAONQI-UHFFFAOYSA-N 1 2 337.383 0.322 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC(N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)c1 ZINC000954931865 612795100 /nfs/dbraw/zinc/79/51/00/612795100.db2.gz CMGIQCUWRLYTDR-UHFFFAOYSA-N 1 2 337.383 0.620 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000954932868 612796059 /nfs/dbraw/zinc/79/60/59/612796059.db2.gz IWLPJLHITSXRFZ-UHFFFAOYSA-N 1 2 326.360 0.443 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CCCN2C(=O)Cc2c[nH+]c[nH]2)c[nH]1 ZINC000956255794 612802995 /nfs/dbraw/zinc/80/29/95/612802995.db2.gz HGZUPPSUSFIYFF-AWEZNQCLSA-N 1 2 326.360 0.573 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000954402592 612892742 /nfs/dbraw/zinc/89/27/42/612892742.db2.gz RJCJMLWIYPISTI-ZBFHGGJFSA-N 1 2 346.431 0.911 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCN(C(C)=O)CC3)C2)nc1 ZINC000956566194 612913290 /nfs/dbraw/zinc/91/32/90/612913290.db2.gz BFBSUZXAJRYBET-INIZCTEOSA-N 1 2 326.400 0.442 20 30 ECEDLO N#Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCN(C(=O)C4CC4)CC3)C2)c[nH]1 ZINC000956572682 612914726 /nfs/dbraw/zinc/91/47/26/612914726.db2.gz BBBXUHYAJRSCTO-MRXNPFEDSA-N 1 2 341.415 0.655 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)CC(C)(C)O)C2)CC1 ZINC000956606420 612924841 /nfs/dbraw/zinc/92/48/41/612924841.db2.gz RWNBILIEKCRORY-KBPBESRZSA-N 1 2 336.436 0.052 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccc[nH]3)C2)CC1 ZINC000956606190 612924902 /nfs/dbraw/zinc/92/49/02/612924902.db2.gz PEWBJPLSRYFEQN-GOEBONIOSA-N 1 2 343.431 0.462 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)/C=C\C3CC3)C2)CC1 ZINC000956606938 612924941 /nfs/dbraw/zinc/92/49/41/612924941.db2.gz WQTLWKSQVPRCRA-PJFORWJISA-N 1 2 330.432 0.857 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC000971997102 735481922 /nfs/dbraw/zinc/48/19/22/735481922.db2.gz RPBASKYJGOMVOX-SMDDNHRTSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC000971997102 735481927 /nfs/dbraw/zinc/48/19/27/735481927.db2.gz RPBASKYJGOMVOX-SMDDNHRTSA-N 1 2 344.253 0.954 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N(CCO)CCNc1ccc(C#N)nc1 ZINC001111492995 738451261 /nfs/dbraw/zinc/45/12/61/738451261.db2.gz ZOQBXEBIBZMGQK-UHFFFAOYSA-N 1 2 328.376 0.460 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cn(C)nn1 ZINC001024987040 738461266 /nfs/dbraw/zinc/46/12/66/738461266.db2.gz AVNRSVMAFTVONK-SJORKVTESA-N 1 2 344.463 0.383 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC3CC3)C2)nn1 ZINC001098595319 738504059 /nfs/dbraw/zinc/50/40/59/738504059.db2.gz KPPBRVZAANBXKB-MRXNPFEDSA-N 1 2 331.420 0.591 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(Cl)cn2C)[C@@H](n2ccnn2)C1 ZINC001069973527 790265645 /nfs/dbraw/zinc/26/56/45/790265645.db2.gz CHRDDGDAQWCISC-OCCSQVGLSA-N 1 2 332.795 0.559 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)cn2C)[C@@H](n2ccnn2)C1 ZINC001069973527 790265650 /nfs/dbraw/zinc/26/56/50/790265650.db2.gz CHRDDGDAQWCISC-OCCSQVGLSA-N 1 2 332.795 0.559 20 30 ECEDLO CCn1nncc1C[NH+]1CC([C@H](C)NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000969526474 731948416 /nfs/dbraw/zinc/94/84/16/731948416.db2.gz MOCWVOPOROXFOC-NSHDSACASA-N 1 2 327.392 0.748 20 30 ECEDLO C[C@@H](NC(=O)[C@@H]1COC(=O)N1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969593513 731991930 /nfs/dbraw/zinc/99/19/30/731991930.db2.gz GTRBFLFTBBQJSA-BMIGLBTASA-N 1 2 346.362 0.742 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC000969787735 732348764 /nfs/dbraw/zinc/34/87/64/732348764.db2.gz FVGNIISPRYOIGU-STQMWFEESA-N 1 2 343.855 0.670 20 30 ECEDLO CN(C[C@@H](O)CN(C)c1ncc(C#N)cc1F)C(=O)Cc1c[nH+]c[nH]1 ZINC001125315559 732880623 /nfs/dbraw/zinc/88/06/23/732880623.db2.gz WCYYBGSHFREUNT-CYBMUJFWSA-N 1 2 346.366 0.314 20 30 ECEDLO C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)CNc1ccnc(C#N)n1 ZINC001104234291 732920685 /nfs/dbraw/zinc/92/06/85/732920685.db2.gz UAJVBZCRNSOFLI-NEPJUHHUSA-N 1 2 327.392 0.536 20 30 ECEDLO C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)CNc1ccnc(C#N)n1 ZINC001104234291 732920687 /nfs/dbraw/zinc/92/06/87/732920687.db2.gz UAJVBZCRNSOFLI-NEPJUHHUSA-N 1 2 327.392 0.536 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(OC)c(C)c(OC)c2)C1 ZINC001078131810 782350252 /nfs/dbraw/zinc/35/02/52/782350252.db2.gz ZQTNGPGCPMLRBY-HUUCEWRRSA-N 1 2 332.400 0.810 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(OC)c(C)c(OC)c2)C1 ZINC001078131810 782350263 /nfs/dbraw/zinc/35/02/63/782350263.db2.gz ZQTNGPGCPMLRBY-HUUCEWRRSA-N 1 2 332.400 0.810 20 30 ECEDLO COc1ccc(C#N)cc1C[NH2+][C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC000970445580 733542395 /nfs/dbraw/zinc/54/23/95/733542395.db2.gz IRUQZCYOCGMLFS-CQSZACIVSA-N 1 2 340.387 0.618 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3nc(N(C)C)no3)C2)cn1 ZINC000970519535 733639092 /nfs/dbraw/zinc/63/90/92/733639092.db2.gz MJQLDFJXYCIXFP-CQSZACIVSA-N 1 2 340.387 0.516 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H](C)C2C[NH+](Cc3ccnn3C)C2)nn1 ZINC000970546886 733664838 /nfs/dbraw/zinc/66/48/38/733664838.db2.gz DNQHQVYMFJCRDI-LBPRGKRZSA-N 1 2 329.408 0.448 20 30 ECEDLO N#Cc1cccnc1N1CCO[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001104308190 734197369 /nfs/dbraw/zinc/19/73/69/734197369.db2.gz DHYGJXHOVRIIQK-AWEZNQCLSA-N 1 2 340.387 0.631 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@H]1CN(c2cc(C)[nH+]c(CC)n2)CCO1 ZINC001104316595 734258669 /nfs/dbraw/zinc/25/86/69/734258669.db2.gz FBYNFMPYLUXXKQ-KBXCAEBGSA-N 1 2 348.447 0.996 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(c2cc(C)[nH+]c(CC)n2)CCO1 ZINC001104316596 734258772 /nfs/dbraw/zinc/25/87/72/734258772.db2.gz FBYNFMPYLUXXKQ-KDOFPFPSSA-N 1 2 348.447 0.996 20 30 ECEDLO N#Cc1cccnc1N1CCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001104321969 734298544 /nfs/dbraw/zinc/29/85/44/734298544.db2.gz SLJYNRDQQWVMMJ-CQSZACIVSA-N 1 2 326.360 0.171 20 30 ECEDLO N#Cc1ccc(N2CCO[C@H](CNC(=O)Cn3cc[nH+]c3)C2)nc1 ZINC001104322243 734300009 /nfs/dbraw/zinc/30/00/09/734300009.db2.gz YORILKGAFKMIQC-CQSZACIVSA-N 1 2 326.360 0.171 20 30 ECEDLO CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CS(C)(=O)=O ZINC001025210322 738810736 /nfs/dbraw/zinc/81/07/36/738810736.db2.gz PPPFMKDRNSPRCM-CABCVRRESA-N 1 2 326.462 0.900 20 30 ECEDLO CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CS(C)(=O)=O ZINC001025210322 738810743 /nfs/dbraw/zinc/81/07/43/738810743.db2.gz PPPFMKDRNSPRCM-CABCVRRESA-N 1 2 326.462 0.900 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)CCc3nc[nH]n3)C2)C1=O ZINC000971302211 734432098 /nfs/dbraw/zinc/43/20/98/734432098.db2.gz ULQYMWDKBDZKLQ-UONOGXRCSA-N 1 2 346.435 0.057 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)CCc3nc[nH]n3)C2)C1=O ZINC000971302211 734432099 /nfs/dbraw/zinc/43/20/99/734432099.db2.gz ULQYMWDKBDZKLQ-UONOGXRCSA-N 1 2 346.435 0.057 20 30 ECEDLO N#Cc1ccc(N2CCO[C@@H](CNC(=O)CCc3c[nH]c[nH+]3)C2)nn1 ZINC001104352624 734599300 /nfs/dbraw/zinc/59/93/00/734599300.db2.gz CYIIHIFOAZULEV-AWEZNQCLSA-N 1 2 341.375 0.026 20 30 ECEDLO N#Cc1ccc(N2CCO[C@@H](CNC(=O)CCc3c[nH+]c[nH]3)C2)nn1 ZINC001104352624 734599304 /nfs/dbraw/zinc/59/93/04/734599304.db2.gz CYIIHIFOAZULEV-AWEZNQCLSA-N 1 2 341.375 0.026 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2cnc(C)nc2)C1 ZINC000971703247 734963990 /nfs/dbraw/zinc/96/39/90/734963990.db2.gz BJNDDGSZDQHJRX-MSOLQXFVSA-N 1 2 341.459 0.915 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2cnc(C)nc2)C1 ZINC000971703247 734963993 /nfs/dbraw/zinc/96/39/93/734963993.db2.gz BJNDDGSZDQHJRX-MSOLQXFVSA-N 1 2 341.459 0.915 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cnc(C)nc2)C1 ZINC000971703247 734963996 /nfs/dbraw/zinc/96/39/96/734963996.db2.gz BJNDDGSZDQHJRX-MSOLQXFVSA-N 1 2 341.459 0.915 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cnc(C)nc2)C1 ZINC000971703247 734963999 /nfs/dbraw/zinc/96/39/99/734963999.db2.gz BJNDDGSZDQHJRX-MSOLQXFVSA-N 1 2 341.459 0.915 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2cnc(C)nc2)C1 ZINC000971703247 734964005 /nfs/dbraw/zinc/96/40/05/734964005.db2.gz BJNDDGSZDQHJRX-MSOLQXFVSA-N 1 2 341.459 0.915 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4ccnc4)cn3)[C@H]2C1 ZINC001083245815 735838765 /nfs/dbraw/zinc/83/87/65/735838765.db2.gz KMYVBEQLQARSBN-DLBZAZTESA-N 1 2 337.383 0.426 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4ccnc4)cn3)[C@H]2C1 ZINC001083245815 735838768 /nfs/dbraw/zinc/83/87/68/735838768.db2.gz KMYVBEQLQARSBN-DLBZAZTESA-N 1 2 337.383 0.426 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCCN3C(=O)CC)C2)C1 ZINC000972395700 736120191 /nfs/dbraw/zinc/12/01/91/736120191.db2.gz GKHOVGYZWPCJFA-QFBILLFUSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCCN3C(=O)CC)C2)C1 ZINC000972395700 736120194 /nfs/dbraw/zinc/12/01/94/736120194.db2.gz GKHOVGYZWPCJFA-QFBILLFUSA-N 1 2 347.459 0.714 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccnc4[nH]cnc43)C2)C1 ZINC000972396881 736121737 /nfs/dbraw/zinc/12/17/37/736121737.db2.gz DHPKCUZAJLLVIY-SFHVURJKSA-N 1 2 339.399 0.898 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccnc4[nH]cnc43)C2)C1 ZINC000972396881 736121740 /nfs/dbraw/zinc/12/17/40/736121740.db2.gz DHPKCUZAJLLVIY-SFHVURJKSA-N 1 2 339.399 0.898 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccnn3CCOC)C2)C1 ZINC000972427997 736174260 /nfs/dbraw/zinc/17/42/60/736174260.db2.gz DQGDXOUCUYBRIF-QGZVFWFLSA-N 1 2 334.420 0.632 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccnn3CCOC)C2)C1 ZINC000972427997 736174262 /nfs/dbraw/zinc/17/42/62/736174262.db2.gz DQGDXOUCUYBRIF-QGZVFWFLSA-N 1 2 334.420 0.632 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)CCNC(=O)C3)C2)C1 ZINC000972431578 736181402 /nfs/dbraw/zinc/18/14/02/736181402.db2.gz RLFZLENZXXTTRT-QZTJIDSGSA-N 1 2 333.432 0.229 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)CCNC(=O)C3)C2)C1 ZINC000972431578 736181404 /nfs/dbraw/zinc/18/14/04/736181404.db2.gz RLFZLENZXXTTRT-QZTJIDSGSA-N 1 2 333.432 0.229 20 30 ECEDLO C=C(C)CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)S(C)(=O)=O)C2)C1 ZINC000972436339 736191231 /nfs/dbraw/zinc/19/12/31/736191231.db2.gz WGVVNAKYUVGLIO-ZBFHGGJFSA-N 1 2 344.477 0.689 20 30 ECEDLO C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)S(C)(=O)=O)C2)C1 ZINC000972436339 736191232 /nfs/dbraw/zinc/19/12/32/736191232.db2.gz WGVVNAKYUVGLIO-ZBFHGGJFSA-N 1 2 344.477 0.689 20 30 ECEDLO N#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC000972437432 736192430 /nfs/dbraw/zinc/19/24/30/736192430.db2.gz KSEICWSGWMYGEB-PBHICJAKSA-N 1 2 329.404 0.272 20 30 ECEDLO C#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000972437225 736195240 /nfs/dbraw/zinc/19/52/40/736195240.db2.gz AAHNHQODUUJPFN-MAUKXSAKSA-N 1 2 328.416 0.382 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(=O)Nc3ccccc3)C2)C1 ZINC000972449456 736228637 /nfs/dbraw/zinc/22/86/37/736228637.db2.gz KRUAMBUPNVIDBR-GOSISDBHSA-N 1 2 327.384 0.562 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(=O)Nc3ccccc3)C2)C1 ZINC000972449456 736228642 /nfs/dbraw/zinc/22/86/42/736228642.db2.gz KRUAMBUPNVIDBR-GOSISDBHSA-N 1 2 327.384 0.562 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ncc(OC)cn3)C2)C1 ZINC000972461992 736259514 /nfs/dbraw/zinc/25/95/14/736259514.db2.gz ZOUYJAQQHHVRPO-QGZVFWFLSA-N 1 2 330.388 0.425 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ncc(OC)cn3)C2)C1 ZINC000972461992 736259515 /nfs/dbraw/zinc/25/95/15/736259515.db2.gz ZOUYJAQQHHVRPO-QGZVFWFLSA-N 1 2 330.388 0.425 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3cccc(NC(C)=O)c3)[C@H]2C1 ZINC001083254316 736292941 /nfs/dbraw/zinc/29/29/41/736292941.db2.gz MDSPFYBKCYAHBH-ZWKOTPCHSA-N 1 2 341.411 0.732 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3cccc(NC(C)=O)c3)[C@H]2C1 ZINC001083254316 736292942 /nfs/dbraw/zinc/29/29/42/736292942.db2.gz MDSPFYBKCYAHBH-ZWKOTPCHSA-N 1 2 341.411 0.732 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1 ZINC000972476291 736294756 /nfs/dbraw/zinc/29/47/56/736294756.db2.gz WXRRYOFEKLSZBC-MPTZMVSHSA-N 1 2 330.428 0.736 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1 ZINC000972476291 736294758 /nfs/dbraw/zinc/29/47/58/736294758.db2.gz WXRRYOFEKLSZBC-MPTZMVSHSA-N 1 2 330.428 0.736 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCC(=O)N3C)C2)C1 ZINC000972493822 736389993 /nfs/dbraw/zinc/38/99/93/736389993.db2.gz IZFJARPFUVGLQO-YJBOKZPZSA-N 1 2 333.432 0.324 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCC(=O)N3C)C2)C1 ZINC000972493822 736389994 /nfs/dbraw/zinc/38/99/94/736389994.db2.gz IZFJARPFUVGLQO-YJBOKZPZSA-N 1 2 333.432 0.324 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCC(=O)NC3)C2)C1 ZINC000972513522 736509705 /nfs/dbraw/zinc/50/97/05/736509705.db2.gz HSRGTSBPIPBLCH-ZWKOTPCHSA-N 1 2 333.432 0.229 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCC(=O)NC3)C2)C1 ZINC000972513522 736509707 /nfs/dbraw/zinc/50/97/07/736509707.db2.gz HSRGTSBPIPBLCH-ZWKOTPCHSA-N 1 2 333.432 0.229 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4[nH]c(=O)[nH]c4n3)C2)C1 ZINC000972517554 736535505 /nfs/dbraw/zinc/53/55/05/736535505.db2.gz GOEQNUWDGLJEML-KRWDZBQOSA-N 1 2 343.387 0.766 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4[nH]c(=O)[nH]c4n3)C2)C1 ZINC000972517554 736535509 /nfs/dbraw/zinc/53/55/09/736535509.db2.gz GOEQNUWDGLJEML-KRWDZBQOSA-N 1 2 343.387 0.766 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)Oc3cccnc3)C2)C1 ZINC000972542910 736652903 /nfs/dbraw/zinc/65/29/03/736652903.db2.gz FUYOSDSLRCMBAK-YJBOKZPZSA-N 1 2 329.400 0.785 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)Oc3cccnc3)C2)C1 ZINC000972542910 736652904 /nfs/dbraw/zinc/65/29/04/736652904.db2.gz FUYOSDSLRCMBAK-YJBOKZPZSA-N 1 2 329.400 0.785 20 30 ECEDLO N#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC000972547137 736667377 /nfs/dbraw/zinc/66/73/77/736667377.db2.gz WCRQZWZMXXBKBJ-GUYCJALGSA-N 1 2 329.404 0.656 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3nnn(CC)c3CC)C2)C1 ZINC000972549688 736683104 /nfs/dbraw/zinc/68/31/04/736683104.db2.gz QFTGVKDGFPMJPV-KRWDZBQOSA-N 1 2 333.436 0.963 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3nnn(CC)c3CC)C2)C1 ZINC000972549688 736683105 /nfs/dbraw/zinc/68/31/05/736683105.db2.gz QFTGVKDGFPMJPV-KRWDZBQOSA-N 1 2 333.436 0.963 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3cn(C)nc3Cl)C2)C1 ZINC000972551769 736700281 /nfs/dbraw/zinc/70/02/81/736700281.db2.gz FSCGOXOIEDKUTQ-MRXNPFEDSA-N 1 2 336.823 0.553 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3cn(C)nc3Cl)C2)C1 ZINC000972551769 736700284 /nfs/dbraw/zinc/70/02/84/736700284.db2.gz FSCGOXOIEDKUTQ-MRXNPFEDSA-N 1 2 336.823 0.553 20 30 ECEDLO CC#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC000972560798 736777431 /nfs/dbraw/zinc/77/74/31/736777431.db2.gz GFJRMXWTSMICCG-MDZRGWNJSA-N 1 2 342.443 0.850 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3ccc(C)cc3=O)C2)C1 ZINC000972581355 736940391 /nfs/dbraw/zinc/94/03/91/736940391.db2.gz HKMOCLNSLSRBPS-SFHVURJKSA-N 1 2 329.400 0.093 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3ccc(C)cc3=O)C2)C1 ZINC000972581355 736940392 /nfs/dbraw/zinc/94/03/92/736940392.db2.gz HKMOCLNSLSRBPS-SFHVURJKSA-N 1 2 329.400 0.093 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3nnnc3C(C)C)C2)C1 ZINC000972595148 737027526 /nfs/dbraw/zinc/02/75/26/737027526.db2.gz VQDHRLZEOILLFJ-KRWDZBQOSA-N 1 2 346.435 0.123 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3nnnc3C(C)C)C2)C1 ZINC000972595148 737027529 /nfs/dbraw/zinc/02/75/29/737027529.db2.gz VQDHRLZEOILLFJ-KRWDZBQOSA-N 1 2 346.435 0.123 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)s1 ZINC000981972461 751386829 /nfs/dbraw/zinc/38/68/29/751386829.db2.gz VGHHILOEMWXWFC-KGLIPLIRSA-N 1 2 332.429 0.775 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)s1 ZINC000981972461 751386833 /nfs/dbraw/zinc/38/68/33/751386833.db2.gz VGHHILOEMWXWFC-KGLIPLIRSA-N 1 2 332.429 0.775 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn([C@H]4CCOC4)nn3)C2)C1 ZINC000972629238 737155278 /nfs/dbraw/zinc/15/52/78/737155278.db2.gz YHPZOZYYEZKIEF-YOEHRIQHSA-N 1 2 347.419 0.342 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn([C@H]4CCOC4)nn3)C2)C1 ZINC000972629238 737155282 /nfs/dbraw/zinc/15/52/82/737155282.db2.gz YHPZOZYYEZKIEF-YOEHRIQHSA-N 1 2 347.419 0.342 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCCN3C(N)=O)C2)C1 ZINC000972634765 737181354 /nfs/dbraw/zinc/18/13/54/737181354.db2.gz MUYBIFDMDPYFDJ-WMLDXEAASA-N 1 2 336.436 0.409 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCCN3C(N)=O)C2)C1 ZINC000972634765 737181357 /nfs/dbraw/zinc/18/13/57/737181357.db2.gz MUYBIFDMDPYFDJ-WMLDXEAASA-N 1 2 336.436 0.409 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)Oc3ccccn3)C2)C1 ZINC000972641681 737210771 /nfs/dbraw/zinc/21/07/71/737210771.db2.gz WCVKTPRCSPFZPO-QAPCUYQASA-N 1 2 329.400 0.785 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)Oc3ccccn3)C2)C1 ZINC000972641681 737210774 /nfs/dbraw/zinc/21/07/74/737210774.db2.gz WCVKTPRCSPFZPO-QAPCUYQASA-N 1 2 329.400 0.785 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nnc(C)n4C3)C2)C1 ZINC000972687018 737379686 /nfs/dbraw/zinc/37/96/86/737379686.db2.gz FFDRMGUQUOULFT-CRAIPNDOSA-N 1 2 343.431 0.085 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nnc(C)n4C3)C2)C1 ZINC000972687018 737379690 /nfs/dbraw/zinc/37/96/90/737379690.db2.gz FFDRMGUQUOULFT-CRAIPNDOSA-N 1 2 343.431 0.085 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C(C)C)N3CCCC3=O)C2)C1 ZINC000972694335 737402319 /nfs/dbraw/zinc/40/23/19/737402319.db2.gz BDTKUEXZXIAVPS-MJGOQNOKSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C(C)C)N3CCCC3=O)C2)C1 ZINC000972694335 737402322 /nfs/dbraw/zinc/40/23/22/737402322.db2.gz BDTKUEXZXIAVPS-MJGOQNOKSA-N 1 2 347.459 0.570 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N1C[C@H]2CCN(C(=O)[C@H](C)C#N)C[C@H]21 ZINC000972856314 737777789 /nfs/dbraw/zinc/77/77/89/737777789.db2.gz MGCBHLQGFYGMNE-UMVBOHGHSA-N 1 2 342.399 0.852 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(C)=O)C2)nn1 ZINC001098587890 738111218 /nfs/dbraw/zinc/11/12/18/738111218.db2.gz BDRXRNHDRYFOJC-MRXNPFEDSA-N 1 2 348.451 0.586 20 30 ECEDLO C[C@H](CNc1nccnc1C#N)N(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001104613754 739211357 /nfs/dbraw/zinc/21/13/57/739211357.db2.gz OKHADGKGORAYHY-CYBMUJFWSA-N 1 2 346.435 0.718 20 30 ECEDLO C[C@@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001104729993 739544926 /nfs/dbraw/zinc/54/49/26/739544926.db2.gz OKOZMIBAFWTIOF-STQMWFEESA-N 1 2 339.403 0.488 20 30 ECEDLO C[C@@H](CNc1ccnc(C#N)n1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001104730650 739546097 /nfs/dbraw/zinc/54/60/97/739546097.db2.gz JKIHVELUPPUUIU-LBPRGKRZSA-N 1 2 335.371 0.990 20 30 ECEDLO N#Cc1nccnc1N1CCC2(C[C@@H]2NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001058650466 739779058 /nfs/dbraw/zinc/77/90/58/739779058.db2.gz NGPTUTNMHUWWQZ-AWEZNQCLSA-N 1 2 337.387 0.789 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnc(C)cn3)C2)nn1 ZINC001098604025 739859573 /nfs/dbraw/zinc/85/95/73/739859573.db2.gz DXVLRKRZBOLTEG-OAHLLOKOSA-N 1 2 339.403 0.577 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)c[nH+]1 ZINC001058663565 740038278 /nfs/dbraw/zinc/03/82/78/740038278.db2.gz WUPVOBKFUZESKT-LBPRGKRZSA-N 1 2 335.408 0.023 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000988098930 751531979 /nfs/dbraw/zinc/53/19/79/751531979.db2.gz LHPJAXLBFBMEQX-XHSDSOJGSA-N 1 2 346.431 0.781 20 30 ECEDLO C[C@H](CNc1ccnc(C#N)n1)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001104834481 740646266 /nfs/dbraw/zinc/64/62/66/740646266.db2.gz VOXQONLRLAGCCR-QWHCGFSZSA-N 1 2 327.392 0.877 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000974045471 740834379 /nfs/dbraw/zinc/83/43/79/740834379.db2.gz NQNLNBXEVONGHR-TXEJJXNPSA-N 1 2 326.360 0.538 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4[nH]c(=O)n(C)c4c3)[C@H]2C1 ZINC001083294234 740968507 /nfs/dbraw/zinc/96/85/07/740968507.db2.gz SGLZCHQDQZXLDT-JKSUJKDBSA-N 1 2 340.383 0.437 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4[nH]c(=O)n(C)c4c3)[C@H]2C1 ZINC001083294234 740968509 /nfs/dbraw/zinc/96/85/09/740968509.db2.gz SGLZCHQDQZXLDT-JKSUJKDBSA-N 1 2 340.383 0.437 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)C3CCC3)C2)nn1 ZINC001105130050 741400042 /nfs/dbraw/zinc/40/00/42/741400042.db2.gz DUNGCLWJELEYJQ-LBPRGKRZSA-N 1 2 346.435 0.242 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[N@@H+]([C@H](C)C(=O)N(C)C)CC2)nn1 ZINC000982143024 751639817 /nfs/dbraw/zinc/63/98/17/751639817.db2.gz MSOOGXKQURPMIW-CQSZACIVSA-N 1 2 348.451 0.479 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[N@H+]([C@H](C)C(=O)N(C)C)CC2)nn1 ZINC000982143024 751639821 /nfs/dbraw/zinc/63/98/21/751639821.db2.gz MSOOGXKQURPMIW-CQSZACIVSA-N 1 2 348.451 0.479 20 30 ECEDLO C#CCOCCC(=O)NC[C@H](Nc1[nH+]cnc2c1cnn2C)C(C)C ZINC001105224483 741505093 /nfs/dbraw/zinc/50/50/93/741505093.db2.gz GCZMIBXKZDVDIY-AWEZNQCLSA-N 1 2 344.419 0.956 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC(n2cc(C[NH2+]C/C=C\Cl)nn2)C1 ZINC001105240753 741529388 /nfs/dbraw/zinc/52/93/88/741529388.db2.gz ZWCNIBAWNTYYLJ-RXNFCKPNSA-N 1 2 337.811 0.542 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)c3ccnn3C)C2)nn1 ZINC001105242731 741539654 /nfs/dbraw/zinc/53/96/54/741539654.db2.gz FQZYUVUEIBOQTN-ZDUSSCGKSA-N 1 2 341.419 0.312 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)[C@@H]3CCCCO3)C2)nn1 ZINC001105242660 741539707 /nfs/dbraw/zinc/53/97/07/741539707.db2.gz CIAMMCZSRCMGGY-INIZCTEOSA-N 1 2 345.447 0.980 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C)nnc3C)C2)nn1 ZINC001105248928 741551985 /nfs/dbraw/zinc/55/19/85/741551985.db2.gz FSCNPIKTYFXHGL-UHFFFAOYSA-N 1 2 339.403 0.495 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3cc(OC)no3)C2)nn1 ZINC001105251951 741560784 /nfs/dbraw/zinc/56/07/84/741560784.db2.gz APBHZTFUCDEPRV-UHFFFAOYSA-N 1 2 344.375 0.014 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[C@@H](CC)O3)C2)nn1 ZINC001105253844 741567509 /nfs/dbraw/zinc/56/75/09/741567509.db2.gz HKNAZPSZYPYYDW-HZPDHXFCSA-N 1 2 331.420 0.732 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C3(CCOC)CC3)C2)nn1 ZINC001105256533 741570991 /nfs/dbraw/zinc/57/09/91/741570991.db2.gz IELXKZOJRNJULV-UHFFFAOYSA-N 1 2 331.420 0.591 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)[C@@H](C)COC)C2)nn1 ZINC001105259654 741581637 /nfs/dbraw/zinc/58/16/37/741581637.db2.gz HESUNSITYOMDDH-KBPBESRZSA-N 1 2 333.436 0.693 20 30 ECEDLO N#CCNCc1cn(C2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)nn1 ZINC001105270599 741616985 /nfs/dbraw/zinc/61/69/85/741616985.db2.gz DEJIJEIPSQSEHL-UHFFFAOYSA-N 1 2 336.359 0.465 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C3(C)CCC3)C2)nn1 ZINC001105299112 741681284 /nfs/dbraw/zinc/68/12/84/741681284.db2.gz FCKSHZWIFOEITG-UHFFFAOYSA-N 1 2 346.435 0.243 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001058728369 741691466 /nfs/dbraw/zinc/69/14/66/741691466.db2.gz RJHBRIYNHVCMET-QGZVFWFLSA-N 1 2 336.436 0.882 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC(n2cc(C[NH2+]CC(=O)N(C)C)nn2)C1 ZINC001105305952 741702543 /nfs/dbraw/zinc/70/25/43/741702543.db2.gz VAPFZNDALKUFMZ-OLZOCXBDSA-N 1 2 348.451 0.297 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC(n2cc(C[NH2+]CC(=O)N(C)C)nn2)C1 ZINC001105305953 741702621 /nfs/dbraw/zinc/70/26/21/741702621.db2.gz VAPFZNDALKUFMZ-QWHCGFSZSA-N 1 2 348.451 0.297 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3c(F)cccc3F)C2)nn1 ZINC001105315301 741743495 /nfs/dbraw/zinc/74/34/95/741743495.db2.gz GNUFELILOVJENP-UHFFFAOYSA-N 1 2 345.353 0.905 20 30 ECEDLO C=CCC1(C(=O)N(CCO)CCNC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001058732639 741821881 /nfs/dbraw/zinc/82/18/81/741821881.db2.gz FANHPCDXZZRATE-UHFFFAOYSA-N 1 2 334.420 0.636 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3cnco3)C(C)(C)C2)C1=O ZINC000974897573 742330396 /nfs/dbraw/zinc/33/03/96/742330396.db2.gz VBFCGEPHEFFFPO-GXTWGEPZSA-N 1 2 332.404 0.902 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3cnco3)C(C)(C)C2)C1=O ZINC000974897573 742330399 /nfs/dbraw/zinc/33/03/99/742330399.db2.gz VBFCGEPHEFFFPO-GXTWGEPZSA-N 1 2 332.404 0.902 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCNC2=O)C(C)(C)C1 ZINC000974914858 742354696 /nfs/dbraw/zinc/35/46/96/742354696.db2.gz UOOWFQCKDOSZPR-WDEREUQCSA-N 1 2 344.253 0.858 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCNC2=O)C(C)(C)C1 ZINC000974914858 742354702 /nfs/dbraw/zinc/35/47/02/742354702.db2.gz UOOWFQCKDOSZPR-WDEREUQCSA-N 1 2 344.253 0.858 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)C(C)C)C2)nn1 ZINC001105336451 742366389 /nfs/dbraw/zinc/36/63/89/742366389.db2.gz FBLPGZJSFHVUIV-AWEZNQCLSA-N 1 2 333.436 0.693 20 30 ECEDLO CC1(C)CN(CC#N)C[C@H]1NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000975099506 742497200 /nfs/dbraw/zinc/49/72/00/742497200.db2.gz GSBKCKAJWKUCIT-OAHLLOKOSA-N 1 2 334.464 0.982 20 30 ECEDLO N#CCN1CC[NH+](C2CCC(NC(=O)c3[nH]ncc3F)CC2)CC1 ZINC000996787156 742864468 /nfs/dbraw/zinc/86/44/68/742864468.db2.gz DLJPECOKQHZBEZ-UHFFFAOYSA-N 1 2 334.399 0.731 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](Cc3cnn(CC)n3)C2)nc1 ZINC001028935625 742915050 /nfs/dbraw/zinc/91/50/50/742915050.db2.gz IVQRONUZIVHWMF-OAHLLOKOSA-N 1 2 338.415 0.926 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](Cc3cnn(CC)n3)C2)nc1 ZINC001028935625 742915054 /nfs/dbraw/zinc/91/50/54/742915054.db2.gz IVQRONUZIVHWMF-OAHLLOKOSA-N 1 2 338.415 0.926 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]([C@@H](C)c3nnnn3C)C2)nc1 ZINC001028936270 742922792 /nfs/dbraw/zinc/92/27/92/742922792.db2.gz STHATQPSPPQNFA-GXTWGEPZSA-N 1 2 339.403 0.399 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@@H](C)c3nnnn3C)C2)nc1 ZINC001028936270 742922797 /nfs/dbraw/zinc/92/27/97/742922797.db2.gz STHATQPSPPQNFA-GXTWGEPZSA-N 1 2 339.403 0.399 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000975558286 743072120 /nfs/dbraw/zinc/07/21/20/743072120.db2.gz NDJCZNWIWYCCCP-BMFZPTHFSA-N 1 2 346.431 0.898 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001149139280 743224933 /nfs/dbraw/zinc/22/49/33/743224933.db2.gz YTDAJYPPOQCCKG-CABCVRRESA-N 1 2 334.420 0.190 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001149139280 743224938 /nfs/dbraw/zinc/22/49/38/743224938.db2.gz YTDAJYPPOQCCKG-CABCVRRESA-N 1 2 334.420 0.190 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC(C)(C)COC)C2)nn1 ZINC001098694887 743475292 /nfs/dbraw/zinc/47/52/92/743475292.db2.gz MAGWVELDRKXCTB-HNNXBMFYSA-N 1 2 333.436 0.837 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000976692952 744208462 /nfs/dbraw/zinc/20/84/62/744208462.db2.gz HADBHWSQRAQHFX-LAQFHYBYSA-N 1 2 339.399 0.827 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)C[C@H]2C=CCC2)C1 ZINC001149137487 751929371 /nfs/dbraw/zinc/92/93/71/751929371.db2.gz PNTPWCFJMLOVKP-HOTGVXAUSA-N 1 2 333.432 0.299 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)C[C@H]2C=CCC2)C1 ZINC001149137487 751929374 /nfs/dbraw/zinc/92/93/74/751929374.db2.gz PNTPWCFJMLOVKP-HOTGVXAUSA-N 1 2 333.432 0.299 20 30 ECEDLO C#Cc1cncc(C(=O)NC2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)c1 ZINC000999320642 744625260 /nfs/dbraw/zinc/62/52/60/744625260.db2.gz WVEQKRDNHBCQQB-ZDUSSCGKSA-N 1 2 337.383 0.851 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ncoc3C)C2)nn1 ZINC001098625822 744638273 /nfs/dbraw/zinc/63/82/73/744638273.db2.gz IZOZCIZPSFGROT-AWEZNQCLSA-N 1 2 328.376 0.775 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(N)=O)CC2(C)C)nn1 ZINC000977287327 744843436 /nfs/dbraw/zinc/84/34/36/744843436.db2.gz SIZZYWWNLQZSJU-DGCLKSJQSA-N 1 2 334.424 0.168 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(N)=O)CC2(C)C)nn1 ZINC000977287327 744843437 /nfs/dbraw/zinc/84/34/37/744843437.db2.gz SIZZYWWNLQZSJU-DGCLKSJQSA-N 1 2 334.424 0.168 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001006896423 751953944 /nfs/dbraw/zinc/95/39/44/751953944.db2.gz ISOLHSZKIWCFCD-YUELXQCFSA-N 1 2 346.431 0.897 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC000977440012 745024825 /nfs/dbraw/zinc/02/48/25/745024825.db2.gz NTCGRKXKZMPOTQ-CYBMUJFWSA-N 1 2 332.404 0.572 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC000977440012 745024830 /nfs/dbraw/zinc/02/48/30/745024830.db2.gz NTCGRKXKZMPOTQ-CYBMUJFWSA-N 1 2 332.404 0.572 20 30 ECEDLO CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001058784865 745136733 /nfs/dbraw/zinc/13/67/33/745136733.db2.gz GGWZFNXTFZUDOW-AWEZNQCLSA-N 1 2 346.431 0.426 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+](CC(=O)NC3CC3)CC2(C)C)cn1 ZINC000977526559 745146006 /nfs/dbraw/zinc/14/60/06/745146006.db2.gz QGSHIAFAEZUGPJ-INIZCTEOSA-N 1 2 340.427 0.782 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[N@H+](CC(=O)NC3CC3)CC2(C)C)cn1 ZINC000977526559 745146010 /nfs/dbraw/zinc/14/60/10/745146010.db2.gz QGSHIAFAEZUGPJ-INIZCTEOSA-N 1 2 340.427 0.782 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC(=O)NC3CC3)CC2(C)C)cn1 ZINC000977526573 745146034 /nfs/dbraw/zinc/14/60/34/745146034.db2.gz QGSHIAFAEZUGPJ-MRXNPFEDSA-N 1 2 340.427 0.782 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC(=O)NC3CC3)CC2(C)C)cn1 ZINC000977526573 745146037 /nfs/dbraw/zinc/14/60/37/745146037.db2.gz QGSHIAFAEZUGPJ-MRXNPFEDSA-N 1 2 340.427 0.782 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001000003991 745170268 /nfs/dbraw/zinc/17/02/68/745170268.db2.gz SDVUPKGXRCESOT-CHWSQXEVSA-N 1 2 338.371 0.364 20 30 ECEDLO CN(C[C@H]1CCN1C(=O)CCc1c[nH]c[nH+]1)C(=O)c1c[nH]c(C#N)c1 ZINC000977579758 745204117 /nfs/dbraw/zinc/20/41/17/745204117.db2.gz GNYZARUYXBBKDE-OAHLLOKOSA-N 1 2 340.387 0.915 20 30 ECEDLO CN(C[C@H]1CCN1C(=O)CCc1c[nH+]c[nH]1)C(=O)c1c[nH]c(C#N)c1 ZINC000977579758 745204124 /nfs/dbraw/zinc/20/41/24/745204124.db2.gz GNYZARUYXBBKDE-OAHLLOKOSA-N 1 2 340.387 0.915 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc4n(c3)CCCC4)C2)nn1 ZINC001105384875 745257926 /nfs/dbraw/zinc/25/79/26/745257926.db2.gz PESXGEZNFANPJB-UHFFFAOYSA-N 1 2 338.415 0.836 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+][C@@H](C)c3noc(C)n3)C2)nn1 ZINC001020700493 751990348 /nfs/dbraw/zinc/99/03/48/751990348.db2.gz RAEYEXUZQKVWAW-DLOVCJGASA-N 1 2 331.380 0.767 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)[C@H](OC)C1 ZINC001213190574 745331672 /nfs/dbraw/zinc/33/16/72/745331672.db2.gz ZOVBFGKHZWRKGO-CAOSSQGBSA-N 1 2 335.448 0.540 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)[C@H](OC)C1 ZINC001213190574 745331676 /nfs/dbraw/zinc/33/16/76/745331676.db2.gz ZOVBFGKHZWRKGO-CAOSSQGBSA-N 1 2 335.448 0.540 20 30 ECEDLO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3[nH]nnc3C)C2)nn1 ZINC001098698847 745392444 /nfs/dbraw/zinc/39/24/44/745392444.db2.gz ZHJRNZZNAQTEOX-CYBMUJFWSA-N 1 2 330.396 0.458 20 30 ECEDLO CCc1nocc1C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001083414874 745544316 /nfs/dbraw/zinc/54/43/16/745544316.db2.gz ZLXDCZPUQUWRIS-CABCVRRESA-N 1 2 329.360 0.412 20 30 ECEDLO CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001083414874 745544321 /nfs/dbraw/zinc/54/43/21/745544321.db2.gz ZLXDCZPUQUWRIS-CABCVRRESA-N 1 2 329.360 0.412 20 30 ECEDLO CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000977912563 745665734 /nfs/dbraw/zinc/66/57/34/745665734.db2.gz ZRLDJLLTEQYNET-JKSUJKDBSA-N 1 2 340.427 0.918 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3c(C)cnn3C)C2)nn1 ZINC001098701079 745705768 /nfs/dbraw/zinc/70/57/68/745705768.db2.gz VPIFIDHMSCXCLX-HNNXBMFYSA-N 1 2 341.419 0.520 20 30 ECEDLO COCCN(CCNC(=O)Cc1c[nH]c[nH+]1)c1snc(C)c1C#N ZINC001126524680 745742714 /nfs/dbraw/zinc/74/27/14/745742714.db2.gz XKTICDFVXNAVMT-UHFFFAOYSA-N 1 2 348.432 0.858 20 30 ECEDLO CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC000982351893 752031116 /nfs/dbraw/zinc/03/11/16/752031116.db2.gz DCASNVPEFKIHCN-BHYGNILZSA-N 1 2 338.473 0.615 20 30 ECEDLO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC000982351893 752031125 /nfs/dbraw/zinc/03/11/25/752031125.db2.gz DCASNVPEFKIHCN-BHYGNILZSA-N 1 2 338.473 0.615 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3ocnc3C)C2)C1=O ZINC001007020913 752050808 /nfs/dbraw/zinc/05/08/08/752050808.db2.gz PEDCMDJACWDQCF-UONOGXRCSA-N 1 2 332.404 0.964 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3ocnc3C)C2)C1=O ZINC001007020913 752050814 /nfs/dbraw/zinc/05/08/14/752050814.db2.gz PEDCMDJACWDQCF-UONOGXRCSA-N 1 2 332.404 0.964 20 30 ECEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001001155406 746121447 /nfs/dbraw/zinc/12/14/47/746121447.db2.gz WYUFWULUALNTGA-NEPJUHHUSA-N 1 2 342.237 0.765 20 30 ECEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001001155406 746121451 /nfs/dbraw/zinc/12/14/51/746121451.db2.gz WYUFWULUALNTGA-NEPJUHHUSA-N 1 2 342.237 0.765 20 30 ECEDLO Cc1nnc(C[NH+]2CCC(CNC(=O)c3cc(C#N)c[nH]3)CC2)[nH]1 ZINC001001286084 746246821 /nfs/dbraw/zinc/24/68/21/746246821.db2.gz LFSSWTWDDQSARM-UHFFFAOYSA-N 1 2 327.392 0.955 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001001340105 746290018 /nfs/dbraw/zinc/29/00/18/746290018.db2.gz DXWYIQJKKJXSMZ-UHFFFAOYSA-N 1 2 340.387 0.441 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cnnn3C)[C@@H]2CC)nc1 ZINC001087800399 746360835 /nfs/dbraw/zinc/36/08/35/746360835.db2.gz PTKYLVLUSCGYSV-DOTOQJQBSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cnnn3C)[C@@H]2CC)nc1 ZINC001087800399 746360841 /nfs/dbraw/zinc/36/08/41/746360841.db2.gz PTKYLVLUSCGYSV-DOTOQJQBSA-N 1 2 338.415 0.974 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H]3[C@@H](CNC(=O)c4[nH]ncc4F)[C@@H]3C2)C1=O ZINC000978671175 746565693 /nfs/dbraw/zinc/56/56/93/746565693.db2.gz AKUUFXLDMMKAQI-FMSGJZPZSA-N 1 2 347.394 0.243 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4[nH]ncc4F)[C@@H]3C2)C1=O ZINC000978671175 746565694 /nfs/dbraw/zinc/56/56/94/746565694.db2.gz AKUUFXLDMMKAQI-FMSGJZPZSA-N 1 2 347.394 0.243 20 30 ECEDLO COCCN(CCNC(=O)CCc1c[nH]c[nH+]1)c1cncc(C#N)n1 ZINC001126561148 746702756 /nfs/dbraw/zinc/70/27/56/746702756.db2.gz CYQVIKVWSJEWKK-UHFFFAOYSA-N 1 2 343.391 0.273 20 30 ECEDLO COCCN(CCNC(=O)CCc1c[nH+]c[nH]1)c1cncc(C#N)n1 ZINC001126561148 746702762 /nfs/dbraw/zinc/70/27/62/746702762.db2.gz CYQVIKVWSJEWKK-UHFFFAOYSA-N 1 2 343.391 0.273 20 30 ECEDLO C=CCCCC(=O)N1CC[C@@H](n2cc(C[NH2+]CC(=O)NCC)nn2)C1 ZINC001098711829 746782958 /nfs/dbraw/zinc/78/29/58/746782958.db2.gz XMCFUNUEJIZBGJ-OAHLLOKOSA-N 1 2 348.451 0.634 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001002150372 747029768 /nfs/dbraw/zinc/02/97/68/747029768.db2.gz LIQSZUULFVBICC-RDJZCZTQSA-N 1 2 346.431 0.829 20 30 ECEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)CS(=O)(=O)C3CCCC3)C[C@@H]2C1 ZINC001088015368 747061416 /nfs/dbraw/zinc/06/14/16/747061416.db2.gz JORSQPPSDVVNGW-CABCVRRESA-N 1 2 338.473 0.757 20 30 ECEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CS(=O)(=O)C3CCCC3)C[C@@H]2C1 ZINC001088015368 747061421 /nfs/dbraw/zinc/06/14/21/747061421.db2.gz JORSQPPSDVVNGW-CABCVRRESA-N 1 2 338.473 0.757 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2snnc2C)C1=O ZINC001027746866 747360192 /nfs/dbraw/zinc/36/01/92/747360192.db2.gz FJTGBAAMOIHZNW-QWHCGFSZSA-N 1 2 349.460 0.828 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2snnc2C)C1=O ZINC001027746866 747360201 /nfs/dbraw/zinc/36/02/01/747360201.db2.gz FJTGBAAMOIHZNW-QWHCGFSZSA-N 1 2 349.460 0.828 20 30 ECEDLO Cc1nnc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)o1 ZINC000979275830 747497435 /nfs/dbraw/zinc/49/74/35/747497435.db2.gz OXKZCJLMXSSPIE-IINYFYTJSA-N 1 2 344.375 0.597 20 30 ECEDLO N#Cc1cc(C[N@@H+]2C[C@@H](NC(=O)C3=CCOCC3)[C@@H](O)C2)ccc1F ZINC001083422557 747499673 /nfs/dbraw/zinc/49/96/73/747499673.db2.gz DMMTXRTYCIMKTR-SJORKVTESA-N 1 2 345.374 0.705 20 30 ECEDLO N#Cc1cc(C[N@H+]2C[C@@H](NC(=O)C3=CCOCC3)[C@@H](O)C2)ccc1F ZINC001083422557 747499678 /nfs/dbraw/zinc/49/96/78/747499678.db2.gz DMMTXRTYCIMKTR-SJORKVTESA-N 1 2 345.374 0.705 20 30 ECEDLO Cc1nnc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)o1 ZINC000979292643 747526735 /nfs/dbraw/zinc/52/67/35/747526735.db2.gz LZUUIYNHOVLWQA-IINYFYTJSA-N 1 2 344.375 0.597 20 30 ECEDLO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCN3CCOCC3)C2)nn1 ZINC001105342464 747571136 /nfs/dbraw/zinc/57/11/36/747571136.db2.gz GCQKSMCNWXJBIF-UHFFFAOYSA-N 1 2 348.451 0.049 20 30 ECEDLO C=CCn1cccc1C(=O)NCC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001002615153 747575341 /nfs/dbraw/zinc/57/53/41/747575341.db2.gz DSXDDMRYGNIBCW-UHFFFAOYSA-N 1 2 327.388 0.828 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CNC(=O)CCC)C2)nn1 ZINC001098629435 747577694 /nfs/dbraw/zinc/57/76/94/747577694.db2.gz JZESFXBVALUWJV-HNNXBMFYSA-N 1 2 346.435 0.081 20 30 ECEDLO C=CCC(CC=C)C(=O)NCCN(CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001058948097 752197141 /nfs/dbraw/zinc/19/71/41/752197141.db2.gz KPFRKNSTGGKMQU-UHFFFAOYSA-N 1 2 334.420 0.658 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)c2ccn[nH]2)[C@H](OC)C1 ZINC001211896950 747713203 /nfs/dbraw/zinc/71/32/03/747713203.db2.gz RTZHHWQQBZJPGX-HUUCEWRRSA-N 1 2 347.419 0.039 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)c2ccn[nH]2)[C@H](OC)C1 ZINC001211896950 747713206 /nfs/dbraw/zinc/71/32/06/747713206.db2.gz RTZHHWQQBZJPGX-HUUCEWRRSA-N 1 2 347.419 0.039 20 30 ECEDLO C=CCC1(C(=O)NCCN(CCO)C(=O)Cc2c[nH+]c[nH]2)CCC1 ZINC001058949112 752218581 /nfs/dbraw/zinc/21/85/81/752218581.db2.gz JJRSQLIDZCGDGU-UHFFFAOYSA-N 1 2 334.420 0.636 20 30 ECEDLO C#Cc1ccc(C(=O)NCCN(CCO)C(=O)Cc2c[nH+]c[nH]2)cc1 ZINC001058948747 752219900 /nfs/dbraw/zinc/21/99/00/752219900.db2.gz CFNYTDWCNIQBHD-UHFFFAOYSA-N 1 2 340.383 0.184 20 30 ECEDLO C#CCOCCC(=O)N(C)CCN(C)c1[nH+]cnc2c1cnn2C ZINC001105469346 752230293 /nfs/dbraw/zinc/23/02/93/752230293.db2.gz QWIWVOJVJNTITR-UHFFFAOYSA-N 1 2 330.392 0.298 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H](C[N@H+](C)Cc2nnnn2C(C)(C)C)C1 ZINC001029678848 748044156 /nfs/dbraw/zinc/04/41/56/748044156.db2.gz UAOGICFDYRJTHO-QWHCGFSZSA-N 1 2 333.440 0.868 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H](C[N@@H+](C)Cc2nnnn2C(C)(C)C)C1 ZINC001029678848 748044162 /nfs/dbraw/zinc/04/41/62/748044162.db2.gz UAOGICFDYRJTHO-QWHCGFSZSA-N 1 2 333.440 0.868 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001059554419 748304978 /nfs/dbraw/zinc/30/49/78/748304978.db2.gz FMTBBCWYWWMAIL-YJBOKZPZSA-N 1 2 348.447 0.955 20 30 ECEDLO CCn1nncc1C[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001027833092 748317437 /nfs/dbraw/zinc/31/74/37/748317437.db2.gz NAUIFEZYBDZMEK-CQSZACIVSA-N 1 2 327.392 0.892 20 30 ECEDLO CCn1nncc1C[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001027833092 748317446 /nfs/dbraw/zinc/31/74/46/748317446.db2.gz NAUIFEZYBDZMEK-CQSZACIVSA-N 1 2 327.392 0.892 20 30 ECEDLO C=CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCc3cnn[nH]3)C2)nn1 ZINC001098727590 748390253 /nfs/dbraw/zinc/39/02/53/748390253.db2.gz FIBVKGPCNXCYDY-HNNXBMFYSA-N 1 2 344.423 0.468 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NCC[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001059623170 748863384 /nfs/dbraw/zinc/86/33/84/748863384.db2.gz YYNARJQFAOMDRY-OAHLLOKOSA-N 1 2 328.416 0.731 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(CC)c3C)C2)nn1 ZINC001105345515 748916938 /nfs/dbraw/zinc/91/69/38/748916938.db2.gz FBVQHIHPFDUMFD-UHFFFAOYSA-N 1 2 327.392 0.223 20 30 ECEDLO N#Cc1cnc(NC[C@@H](O)CNC(=O)CCc2[nH]cc[nH+]2)c(Cl)c1 ZINC001105803654 761913051 /nfs/dbraw/zinc/91/30/51/761913051.db2.gz GQDYDUJYPMJXNE-NSHDSACASA-N 1 2 348.794 0.852 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001059648121 749104692 /nfs/dbraw/zinc/10/46/92/749104692.db2.gz MSPOGCXOALNKAF-CQSZACIVSA-N 1 2 332.404 0.347 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001013930818 761928862 /nfs/dbraw/zinc/92/88/62/761928862.db2.gz YFDJIDCBUQIAOT-JQWIXIFHSA-N 1 2 326.360 0.571 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(=O)C(C)(C)C)C2)nn1 ZINC001098632549 749371540 /nfs/dbraw/zinc/37/15/40/749371540.db2.gz CNXCIWQCHPOWMZ-CQSZACIVSA-N 1 2 331.420 0.780 20 30 ECEDLO C#CCOc1ccc(C(=O)NCCC[NH2+]Cc2nnn(C)n2)cc1 ZINC001167807582 749436793 /nfs/dbraw/zinc/43/67/93/749436793.db2.gz HTVOWZRJZIXUHQ-UHFFFAOYSA-N 1 2 328.376 0.132 20 30 ECEDLO Cn1cc(C(N)=O)cc1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004475758 749544746 /nfs/dbraw/zinc/54/47/46/749544746.db2.gz IOKNXDMNNDYOGY-HNNXBMFYSA-N 1 2 343.431 0.964 20 30 ECEDLO Cn1cc(C(N)=O)cc1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004475758 749544750 /nfs/dbraw/zinc/54/47/50/749544750.db2.gz IOKNXDMNNDYOGY-HNNXBMFYSA-N 1 2 343.431 0.964 20 30 ECEDLO C=C(Cl)CNCc1cn([C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC001098740916 749567452 /nfs/dbraw/zinc/56/74/52/749567452.db2.gz VZERHDYFAFAODJ-CQSZACIVSA-N 1 2 349.826 0.859 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001004522096 749593600 /nfs/dbraw/zinc/59/36/00/749593600.db2.gz VLCUSWSRBRDLJI-CABCVRRESA-N 1 2 346.431 0.518 20 30 ECEDLO C[C@H]1[C@H]([NH2+]Cc2nc(N(C)C)no2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000986130842 749597052 /nfs/dbraw/zinc/59/70/52/749597052.db2.gz HCOBABFBVFQJDX-CMPLNLGQSA-N 1 2 343.391 0.728 20 30 ECEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1 ZINC001004609508 749681583 /nfs/dbraw/zinc/68/15/83/749681583.db2.gz INAQHHXWVNVQTP-ZIAGYGMSSA-N 1 2 347.419 0.201 20 30 ECEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1 ZINC001004609508 749681585 /nfs/dbraw/zinc/68/15/85/749681585.db2.gz INAQHHXWVNVQTP-ZIAGYGMSSA-N 1 2 347.419 0.201 20 30 ECEDLO C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CCN(c2ccc(C#N)nn2)CC1 ZINC001126639442 749711016 /nfs/dbraw/zinc/71/10/16/749711016.db2.gz OQPOMKVYWQCKAR-CYBMUJFWSA-N 1 2 339.403 0.966 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2[nH]cc[nH+]2)nc1 ZINC001004743379 749807275 /nfs/dbraw/zinc/80/72/75/749807275.db2.gz VHTJDIOBKMAXNH-BMFZPTHFSA-N 1 2 349.394 0.890 20 30 ECEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([NH2+]Cc2nnn(C)n2)[C@H]1C ZINC000986362363 749823861 /nfs/dbraw/zinc/82/38/61/749823861.db2.gz FRJYGFFDFVGZFO-CHWSQXEVSA-N 1 2 329.408 0.590 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3cnccn3)CC2)C1=O ZINC000980645630 749908238 /nfs/dbraw/zinc/90/82/38/749908238.db2.gz LLWKWWWLGVMIQZ-OAHLLOKOSA-N 1 2 329.404 0.411 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3cnccn3)CC2)C1=O ZINC000980645630 749908244 /nfs/dbraw/zinc/90/82/44/749908244.db2.gz LLWKWWWLGVMIQZ-OAHLLOKOSA-N 1 2 329.404 0.411 20 30 ECEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)Cn3cnnn3)CC2)ccc1F ZINC000980680667 749952161 /nfs/dbraw/zinc/95/21/61/749952161.db2.gz DQDGXQNBFAFRAB-UHFFFAOYSA-N 1 2 343.366 0.418 20 30 ECEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)Cn3cnnn3)CC2)ccc1F ZINC000980680667 749952165 /nfs/dbraw/zinc/95/21/65/749952165.db2.gz DQDGXQNBFAFRAB-UHFFFAOYSA-N 1 2 343.366 0.418 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2c(C)ccn2C)[C@H](OC)C1 ZINC001212167798 762007846 /nfs/dbraw/zinc/00/78/46/762007846.db2.gz CINCCQPLEBNDQD-RRFJBIMHSA-N 1 2 348.447 0.453 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2c(C)ccn2C)[C@H](OC)C1 ZINC001212167798 762007855 /nfs/dbraw/zinc/00/78/55/762007855.db2.gz CINCCQPLEBNDQD-RRFJBIMHSA-N 1 2 348.447 0.453 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[N@H+](CC(=O)N2CCOC[C@H]2C2CC2)CC1 ZINC000980848862 750259128 /nfs/dbraw/zinc/25/91/28/750259128.db2.gz CIGPWMVGZGJYFM-ZBFHGGJFSA-N 1 2 348.447 0.318 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[N@@H+](CC(=O)N2CCOC[C@H]2C2CC2)CC1 ZINC000980848862 750259130 /nfs/dbraw/zinc/25/91/30/750259130.db2.gz CIGPWMVGZGJYFM-ZBFHGGJFSA-N 1 2 348.447 0.318 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(CCC)nn3)C2)nn1 ZINC001105351752 750465438 /nfs/dbraw/zinc/46/54/38/750465438.db2.gz HTZZABVFNSNXRT-UHFFFAOYSA-N 1 2 342.407 0.090 20 30 ECEDLO C=CCCOCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001051425944 762048674 /nfs/dbraw/zinc/04/86/74/762048674.db2.gz DSHPHIFMUQJUJZ-ZIAGYGMSSA-N 1 2 334.420 0.898 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnoc3C(C)C)C2)nn1 ZINC001105356296 750561894 /nfs/dbraw/zinc/56/18/94/750561894.db2.gz GXYORHXLFLGYRP-UHFFFAOYSA-N 1 2 328.376 0.809 20 30 ECEDLO COCCN(CCNC(=O)CCc1[nH]cc[nH+]1)c1cncc(C#N)n1 ZINC001126308575 750573898 /nfs/dbraw/zinc/57/38/98/750573898.db2.gz XGSBWVNJMXNRRU-UHFFFAOYSA-N 1 2 343.391 0.273 20 30 ECEDLO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001005868385 750746736 /nfs/dbraw/zinc/74/67/36/750746736.db2.gz KIJGUMAUEPHMOZ-GFCCVEGCSA-N 1 2 340.387 0.750 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3ccnnc3C)CC2)C1=O ZINC000981555324 750801214 /nfs/dbraw/zinc/80/12/14/750801214.db2.gz NIBCSPKIDFDWCB-INIZCTEOSA-N 1 2 343.431 0.720 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3ccnnc3C)CC2)C1=O ZINC000981555324 750801221 /nfs/dbraw/zinc/80/12/21/750801221.db2.gz NIBCSPKIDFDWCB-INIZCTEOSA-N 1 2 343.431 0.720 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3csnn3)CC2)C1=O ZINC000981704973 750984760 /nfs/dbraw/zinc/98/47/60/750984760.db2.gz WMHVSDJBBKKDKF-ZDUSSCGKSA-N 1 2 335.433 0.473 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3csnn3)CC2)C1=O ZINC000981704973 750984764 /nfs/dbraw/zinc/98/47/64/750984764.db2.gz WMHVSDJBBKKDKF-ZDUSSCGKSA-N 1 2 335.433 0.473 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(C(=O)[C@@H]3CCNC3=O)CC2)c1 ZINC000981749712 751070644 /nfs/dbraw/zinc/07/06/44/751070644.db2.gz GTEHYZPCDSSWDF-OAHLLOKOSA-N 1 2 344.390 0.868 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C(=O)[C@@H]3CCNC3=O)CC2)c1 ZINC000981749712 751070653 /nfs/dbraw/zinc/07/06/53/751070653.db2.gz GTEHYZPCDSSWDF-OAHLLOKOSA-N 1 2 344.390 0.868 20 30 ECEDLO Cn1nnc(C(=O)N2CCC[N@H+](Cc3ccc(F)c(C#N)c3)CC2)n1 ZINC000981778013 751089648 /nfs/dbraw/zinc/08/96/48/751089648.db2.gz YVUCSHCESVEVJR-UHFFFAOYSA-N 1 2 343.366 0.569 20 30 ECEDLO Cn1nnc(C(=O)N2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)CC2)n1 ZINC000981778013 751089654 /nfs/dbraw/zinc/08/96/54/751089654.db2.gz YVUCSHCESVEVJR-UHFFFAOYSA-N 1 2 343.366 0.569 20 30 ECEDLO CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCCS3(=O)=O)C2)C1 ZINC000981808270 751127864 /nfs/dbraw/zinc/12/78/64/751127864.db2.gz KNLKPJZXJKGCRA-OAHLLOKOSA-N 1 2 338.473 0.901 20 30 ECEDLO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCCS3(=O)=O)C2)C1 ZINC000981808270 751127866 /nfs/dbraw/zinc/12/78/66/751127866.db2.gz KNLKPJZXJKGCRA-OAHLLOKOSA-N 1 2 338.473 0.901 20 30 ECEDLO COCCN(CCNC(=O)Cn1cc[nH+]c1)c1cc(C)ncc1C#N ZINC001126360580 752437033 /nfs/dbraw/zinc/43/70/33/752437033.db2.gz LXEXCLGMTNMQPR-UHFFFAOYSA-N 1 2 342.403 0.727 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)COc3ccccc3)C2)nn1 ZINC001105366212 752461783 /nfs/dbraw/zinc/46/17/83/752461783.db2.gz BRKNIUIWWZMPLS-UHFFFAOYSA-N 1 2 339.399 0.853 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000937845440 752555274 /nfs/dbraw/zinc/55/52/74/752555274.db2.gz XNPQFSWXAFILEF-ZDUSSCGKSA-N 1 2 340.387 0.583 20 30 ECEDLO C=CCOCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]1OC ZINC001212092729 752713033 /nfs/dbraw/zinc/71/30/33/752713033.db2.gz OLVXZSVCCIJAQW-HZSPNIEDSA-N 1 2 327.425 0.049 20 30 ECEDLO C=CCOCCCC(=O)N[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)C[C@H]1OC ZINC001212092729 752713038 /nfs/dbraw/zinc/71/30/38/752713038.db2.gz OLVXZSVCCIJAQW-HZSPNIEDSA-N 1 2 327.425 0.049 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)Nc3ccon3)C2)c1 ZINC001028470044 752771156 /nfs/dbraw/zinc/77/11/56/752771156.db2.gz ZHHHMEUASLNVSE-NSHDSACASA-N 1 2 342.359 0.565 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@H+](CC(=O)Nc3ccon3)C2)c1 ZINC001028470044 752771160 /nfs/dbraw/zinc/77/11/60/752771160.db2.gz ZHHHMEUASLNVSE-NSHDSACASA-N 1 2 342.359 0.565 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](C)COC)C2)nn1 ZINC001098645666 752800802 /nfs/dbraw/zinc/80/08/02/752800802.db2.gz SIVXIUHHLFTAES-GDBMZVCRSA-N 1 2 349.435 0.073 20 30 ECEDLO N#Cc1nccnc1N[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001058995665 752807854 /nfs/dbraw/zinc/80/78/54/752807854.db2.gz QTKNTQIHPLYMDU-OLZOCXBDSA-N 1 2 337.387 0.820 20 30 ECEDLO CN(C)c1noc(C[N@@H+]2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001028488727 752824174 /nfs/dbraw/zinc/82/41/74/752824174.db2.gz FZXIJJSNFWDONU-NSHDSACASA-N 1 2 343.391 0.587 20 30 ECEDLO CN(C)c1noc(C[N@H+]2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001028488727 752824178 /nfs/dbraw/zinc/82/41/78/752824178.db2.gz FZXIJJSNFWDONU-NSHDSACASA-N 1 2 343.391 0.587 20 30 ECEDLO CCc1nnc(C[N@@H+]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1C ZINC001028488982 752825981 /nfs/dbraw/zinc/82/59/81/752825981.db2.gz PKFJAZGNKWDFOL-GFCCVEGCSA-N 1 2 341.419 0.829 20 30 ECEDLO CCc1nnc(C[N@H+]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1C ZINC001028488982 752825987 /nfs/dbraw/zinc/82/59/87/752825987.db2.gz PKFJAZGNKWDFOL-GFCCVEGCSA-N 1 2 341.419 0.829 20 30 ECEDLO O=C(C#CC1CC1)N1CCO[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001007711843 752846209 /nfs/dbraw/zinc/84/62/09/752846209.db2.gz YLZOLCJMQKIUTG-GOSISDBHSA-N 1 2 342.399 0.196 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)CN(C(=O)CCc1c[nH]c[nH+]1)CCO2 ZINC001007720145 752857129 /nfs/dbraw/zinc/85/71/29/752857129.db2.gz WOSHHVZPZOXKEE-GUYCJALGSA-N 1 2 345.403 0.332 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)CN(C(=O)CCc1c[nH+]c[nH]1)CCO2 ZINC001007720145 752857137 /nfs/dbraw/zinc/85/71/37/752857137.db2.gz WOSHHVZPZOXKEE-GUYCJALGSA-N 1 2 345.403 0.332 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC[C@@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098679222 752907197 /nfs/dbraw/zinc/90/71/97/752907197.db2.gz VRPIZDMINICZRZ-CYBMUJFWSA-N 1 2 334.424 0.229 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC[C@H](n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001098679274 752910708 /nfs/dbraw/zinc/91/07/08/752910708.db2.gz XBZJUUHCKLKLTC-AWEZNQCLSA-N 1 2 348.451 0.489 20 30 ECEDLO COCCc1noc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)C#CC3CC3)C2)n1 ZINC000988826124 752939175 /nfs/dbraw/zinc/93/91/75/752939175.db2.gz NKAIAFYPNWBTHS-TZMCWYRMSA-N 1 2 332.404 0.751 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1nc([C@H](C)OCC)no1 ZINC001126377963 753035817 /nfs/dbraw/zinc/03/58/17/753035817.db2.gz HCLALRNHVHVKBH-NHYWBVRUSA-N 1 2 326.397 0.700 20 30 ECEDLO CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001008079005 753283864 /nfs/dbraw/zinc/28/38/64/753283864.db2.gz YVKGVVMFWZEZJK-AWEZNQCLSA-N 1 2 340.387 0.819 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3c(C)noc3C)C2)nn1 ZINC001105370957 753395364 /nfs/dbraw/zinc/39/53/64/753395364.db2.gz CCRBSEYLKUWMPW-UHFFFAOYSA-N 1 2 342.403 0.622 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccsc2)[C@H](OC)C1 ZINC001211822945 753412780 /nfs/dbraw/zinc/41/27/80/753412780.db2.gz OSBPYKOKGUADCR-MRVWCRGKSA-N 1 2 337.445 0.868 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccsc2)[C@H](OC)C1 ZINC001211822945 753412783 /nfs/dbraw/zinc/41/27/83/753412783.db2.gz OSBPYKOKGUADCR-MRVWCRGKSA-N 1 2 337.445 0.868 20 30 ECEDLO Cc1ncncc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083350073 753640084 /nfs/dbraw/zinc/64/00/84/753640084.db2.gz CZDXAOCMLATUJS-SJORKVTESA-N 1 2 337.383 0.632 20 30 ECEDLO Cc1ncncc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083350073 753640090 /nfs/dbraw/zinc/64/00/90/753640090.db2.gz CZDXAOCMLATUJS-SJORKVTESA-N 1 2 337.383 0.632 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)COc3cccc(F)c3)C2)nn1 ZINC001105372543 753672358 /nfs/dbraw/zinc/67/23/58/753672358.db2.gz MLXFXJDRIWBCRM-UHFFFAOYSA-N 1 2 343.362 0.602 20 30 ECEDLO N#Cc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCCOC3)[C@@H](O)C2)ccc1F ZINC001083367624 753697730 /nfs/dbraw/zinc/69/77/30/753697730.db2.gz MQNIFKLYBSBEHJ-XYPHTWIQSA-N 1 2 347.390 0.785 20 30 ECEDLO N#Cc1cc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CCCOC3)[C@@H](O)C2)ccc1F ZINC001083367624 753697733 /nfs/dbraw/zinc/69/77/33/753697733.db2.gz MQNIFKLYBSBEHJ-XYPHTWIQSA-N 1 2 347.390 0.785 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)c2ccc[nH]2)[C@H](OC)C1 ZINC001211835770 753710848 /nfs/dbraw/zinc/71/08/48/753710848.db2.gz MIEWRHOPOKXKNA-HZPDHXFCSA-N 1 2 348.447 0.868 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)c2ccc[nH]2)[C@H](OC)C1 ZINC001211835770 753710852 /nfs/dbraw/zinc/71/08/52/753710852.db2.gz MIEWRHOPOKXKNA-HZPDHXFCSA-N 1 2 348.447 0.868 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCOCC3)C2)C1 ZINC001008438204 753738611 /nfs/dbraw/zinc/73/86/11/753738611.db2.gz TVWYKUOEURLDTG-OAHLLOKOSA-N 1 2 335.448 0.782 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N3CCOCC3)C2)C1 ZINC001008438204 753738617 /nfs/dbraw/zinc/73/86/17/753738617.db2.gz TVWYKUOEURLDTG-OAHLLOKOSA-N 1 2 335.448 0.782 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCN(C)c1ccnc(C#N)n1 ZINC001105577202 753851214 /nfs/dbraw/zinc/85/12/14/753851214.db2.gz MTGIHTQQCMECOJ-GFCCVEGCSA-N 1 2 327.392 0.845 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCN(C)c1ccnc(C#N)n1 ZINC001105577202 753851224 /nfs/dbraw/zinc/85/12/24/753851224.db2.gz MTGIHTQQCMECOJ-GFCCVEGCSA-N 1 2 327.392 0.845 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)cn1 ZINC001014100247 762247044 /nfs/dbraw/zinc/24/70/44/762247044.db2.gz IOPQFPIVMSCACQ-MLGOLLRUSA-N 1 2 337.383 0.748 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001008740075 754062176 /nfs/dbraw/zinc/06/21/76/754062176.db2.gz XUXPOSOFUZNUCG-NSHDSACASA-N 1 2 340.811 0.031 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001008740075 754062182 /nfs/dbraw/zinc/06/21/82/754062182.db2.gz XUXPOSOFUZNUCG-NSHDSACASA-N 1 2 340.811 0.031 20 30 ECEDLO C=CCCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3nc(C)no3)C[C@H]2C)nn1 ZINC000989544299 754092844 /nfs/dbraw/zinc/09/28/44/754092844.db2.gz QMQLONWXTBZTII-YPMHNXCESA-N 1 2 345.407 0.938 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)nn1 ZINC001008815863 754149656 /nfs/dbraw/zinc/14/96/56/754149656.db2.gz SGHUDJYPJHVIOQ-OAHLLOKOSA-N 1 2 343.435 0.982 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)nn1 ZINC001008815863 754149662 /nfs/dbraw/zinc/14/96/62/754149662.db2.gz SGHUDJYPJHVIOQ-OAHLLOKOSA-N 1 2 343.435 0.982 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000983014525 754433997 /nfs/dbraw/zinc/43/39/97/754433997.db2.gz WSSUQXDHLLPZKC-GFCCVEGCSA-N 1 2 340.387 0.441 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C)c1 ZINC000989804290 754444221 /nfs/dbraw/zinc/44/42/21/754444221.db2.gz QKZUFWZQDODCJL-CJNGLKHVSA-N 1 2 337.383 0.679 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001009124726 754556477 /nfs/dbraw/zinc/55/64/77/754556477.db2.gz REYOFCIQRQTGDZ-UONOGXRCSA-N 1 2 346.431 0.975 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001009124726 754556483 /nfs/dbraw/zinc/55/64/83/754556483.db2.gz REYOFCIQRQTGDZ-UONOGXRCSA-N 1 2 346.431 0.975 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001009190401 754633097 /nfs/dbraw/zinc/63/30/97/754633097.db2.gz RKVRSLWVBTWNJF-LLVKDONJSA-N 1 2 328.800 0.214 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001009190401 754633103 /nfs/dbraw/zinc/63/31/03/754633103.db2.gz RKVRSLWVBTWNJF-LLVKDONJSA-N 1 2 328.800 0.214 20 30 ECEDLO C[C@@H]([NH2+]C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1)c1csnn1 ZINC001051554390 762328643 /nfs/dbraw/zinc/32/86/43/762328643.db2.gz DMHGXAKSFQMFSN-PWSUYJOCSA-N 1 2 346.416 0.930 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000983179393 754791947 /nfs/dbraw/zinc/79/19/47/754791947.db2.gz HIAXMYKRFAAFJZ-NSHDSACASA-N 1 2 326.360 0.430 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)c[nH]1 ZINC000983186149 754814002 /nfs/dbraw/zinc/81/40/02/754814002.db2.gz SVGRUQXSTURFDV-NSHDSACASA-N 1 2 326.360 0.430 20 30 ECEDLO Cc1nnc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)o1 ZINC001051562293 762343247 /nfs/dbraw/zinc/34/32/47/762343247.db2.gz GZRBDIMJFPPAEL-QMTHXVAHSA-N 1 2 344.375 0.770 20 30 ECEDLO C=CCOc1ccc(CC(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)cc1 ZINC001009651584 755134633 /nfs/dbraw/zinc/13/46/33/755134633.db2.gz SBGRURFMQSWVQS-HNNXBMFYSA-N 1 2 331.416 0.860 20 30 ECEDLO C=CCOc1ccc(CC(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)cc1 ZINC001009651584 755134635 /nfs/dbraw/zinc/13/46/35/755134635.db2.gz SBGRURFMQSWVQS-HNNXBMFYSA-N 1 2 331.416 0.860 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@@H]1O ZINC001083471012 755335338 /nfs/dbraw/zinc/33/53/38/755335338.db2.gz ZTELWFPSRHAVGS-KBXIAJHMSA-N 1 2 337.445 0.786 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@@H]1O ZINC001083471012 755335345 /nfs/dbraw/zinc/33/53/45/755335345.db2.gz ZTELWFPSRHAVGS-KBXIAJHMSA-N 1 2 337.445 0.786 20 30 ECEDLO N#Cc1nccc(NC[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001060047959 755470539 /nfs/dbraw/zinc/47/05/39/755470539.db2.gz ARGCSTNHDZLEQQ-LBPRGKRZSA-N 1 2 325.376 0.386 20 30 ECEDLO Cc1ccnc(N2CC[NH+](CCN(C)C(=O)CSCC#N)CC2)n1 ZINC001102414946 755624752 /nfs/dbraw/zinc/62/47/52/755624752.db2.gz ICJDBMJINZKBCH-UHFFFAOYSA-N 1 2 348.476 0.622 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccn(C)c3)C2)nn1 ZINC001098655925 755651148 /nfs/dbraw/zinc/65/11/48/755651148.db2.gz JZXWOCNDVWDLPP-MRXNPFEDSA-N 1 2 326.404 0.817 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cc[nH]c(=O)c3)C2)nn1 ZINC001098657509 755714711 /nfs/dbraw/zinc/71/47/11/755714711.db2.gz WLEHHDHKHCKHAY-CQSZACIVSA-N 1 2 326.360 0.189 20 30 ECEDLO CS(=O)(=O)Cc1nc(C[NH2+]CCNC(=O)C#CC2CC2)cs1 ZINC001126881700 755779189 /nfs/dbraw/zinc/77/91/89/755779189.db2.gz YHSXQJQORCWCLP-UHFFFAOYSA-N 1 2 341.458 0.307 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3COCCO3)C2)c(F)c1 ZINC001010258427 755896295 /nfs/dbraw/zinc/89/62/95/755896295.db2.gz UAUJSAMPZBNMTP-ZBFHGGJFSA-N 1 2 333.363 0.803 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3COCCO3)C2)c(F)c1 ZINC001010258427 755896302 /nfs/dbraw/zinc/89/63/02/755896302.db2.gz UAUJSAMPZBNMTP-ZBFHGGJFSA-N 1 2 333.363 0.803 20 30 ECEDLO N#Cc1cncc(NC[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)n1 ZINC001060093930 756013592 /nfs/dbraw/zinc/01/35/92/756013592.db2.gz RYMLEWPWLMGROZ-LBPRGKRZSA-N 1 2 325.376 0.965 20 30 ECEDLO C#CCCCCC(=O)N1CC[C@@H](n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001098661792 756116300 /nfs/dbraw/zinc/11/63/00/756116300.db2.gz SETGRHZOCATLQP-UKRRQHHQSA-N 1 2 346.435 0.209 20 30 ECEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3C#N)C2)C1 ZINC001010427612 756124441 /nfs/dbraw/zinc/12/44/41/756124441.db2.gz MDIJOJGTZXCZIR-IRXDYDNUSA-N 1 2 328.416 0.579 20 30 ECEDLO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3C#N)C2)C1 ZINC001010427612 756124446 /nfs/dbraw/zinc/12/44/46/756124446.db2.gz MDIJOJGTZXCZIR-IRXDYDNUSA-N 1 2 328.416 0.579 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC[C@H](C)OC)C2)nn1 ZINC001098661939 756135129 /nfs/dbraw/zinc/13/51/29/756135129.db2.gz UWWRNHUTVHPMBN-HOCLYGCPSA-N 1 2 333.436 0.980 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CCCC3)C2)c1 ZINC001010457108 756151153 /nfs/dbraw/zinc/15/11/53/756151153.db2.gz JQRYUOGHUUQXFS-AWEZNQCLSA-N 1 2 329.404 0.749 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CCCC3)C2)c1 ZINC001010457108 756151154 /nfs/dbraw/zinc/15/11/54/756151154.db2.gz JQRYUOGHUUQXFS-AWEZNQCLSA-N 1 2 329.404 0.749 20 30 ECEDLO CCn1nnc(C)c1C[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001010457329 756151657 /nfs/dbraw/zinc/15/16/57/756151657.db2.gz KZXMSILHXPYIQJ-ZDUSSCGKSA-N 1 2 327.392 0.811 20 30 ECEDLO CCn1nnc(C)c1C[N@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001010457329 756151661 /nfs/dbraw/zinc/15/16/61/756151661.db2.gz KZXMSILHXPYIQJ-ZDUSSCGKSA-N 1 2 327.392 0.811 20 30 ECEDLO C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001076177801 756177187 /nfs/dbraw/zinc/17/71/87/756177187.db2.gz QGCQJHMUEIVNLT-NSHDSACASA-N 1 2 328.376 0.867 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC001076196654 756202411 /nfs/dbraw/zinc/20/24/11/756202411.db2.gz NAFOKCNPUBLKBQ-GARJFASQSA-N 1 2 343.225 0.109 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC001076196654 756202416 /nfs/dbraw/zinc/20/24/16/756202416.db2.gz NAFOKCNPUBLKBQ-GARJFASQSA-N 1 2 343.225 0.109 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)Cc3cncs3)[C@@H](O)C2)s1 ZINC001083545484 756293139 /nfs/dbraw/zinc/29/31/39/756293139.db2.gz SGPIFHARWJIRGQ-KGLIPLIRSA-N 1 2 348.453 0.980 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)Cc3cncs3)[C@@H](O)C2)s1 ZINC001083545484 756293144 /nfs/dbraw/zinc/29/31/44/756293144.db2.gz SGPIFHARWJIRGQ-KGLIPLIRSA-N 1 2 348.453 0.980 20 30 ECEDLO CCc1nnc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCO2)o1 ZINC001051609491 762459595 /nfs/dbraw/zinc/45/95/95/762459595.db2.gz UINMVGCLSAPQFH-TZMCWYRMSA-N 1 2 332.404 0.923 20 30 ECEDLO CCn1nnc(C)c1C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010646082 756345804 /nfs/dbraw/zinc/34/58/04/756345804.db2.gz VOBIEBAYKRVNHA-CYBMUJFWSA-N 1 2 327.392 0.811 20 30 ECEDLO CCn1nnc(C)c1C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010646082 756345807 /nfs/dbraw/zinc/34/58/07/756345807.db2.gz VOBIEBAYKRVNHA-CYBMUJFWSA-N 1 2 327.392 0.811 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CN3CN=NC3=O)C2)c(F)c1 ZINC001010696014 756409823 /nfs/dbraw/zinc/40/98/23/756409823.db2.gz FVMZZWQCGUYWQJ-CYBMUJFWSA-N 1 2 344.350 0.385 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CN3CN=NC3=O)C2)c(F)c1 ZINC001010696014 756409825 /nfs/dbraw/zinc/40/98/25/756409825.db2.gz FVMZZWQCGUYWQJ-CYBMUJFWSA-N 1 2 344.350 0.385 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N2CC(NC(=O)c3c[nH]c(C#N)c3)C2)c[nH+]1 ZINC000990929385 756895108 /nfs/dbraw/zinc/89/51/08/756895108.db2.gz RKELSCFIJGOWIX-UHFFFAOYSA-N 1 2 340.387 0.767 20 30 ECEDLO C[C@H](C#N)C(=O)NCc1cn(C2C[NH+](CCOCC3CCC3)C2)nn1 ZINC001107149884 757054097 /nfs/dbraw/zinc/05/40/97/757054097.db2.gz ULWBFQJVNZVKFO-CYBMUJFWSA-N 1 2 346.435 0.727 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@@H]2C[N@H+](Cc3ncnn3CCF)C[C@@H]2C1 ZINC001048810450 757067748 /nfs/dbraw/zinc/06/77/48/757067748.db2.gz NEBXETRGOUAWIF-GASCZTMLSA-N 1 2 331.395 0.551 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@@H]2C[N@@H+](Cc3ncnn3CCF)C[C@@H]2C1 ZINC001048810450 757067757 /nfs/dbraw/zinc/06/77/57/757067757.db2.gz NEBXETRGOUAWIF-GASCZTMLSA-N 1 2 331.395 0.551 20 30 ECEDLO Cn1c(C[N@H+]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)nnc1C1CC1 ZINC001048810126 757068050 /nfs/dbraw/zinc/06/80/50/757068050.db2.gz GAQLCTHRQGKSIL-IYBDPMFKSA-N 1 2 339.443 0.996 20 30 ECEDLO Cn1c(C[N@@H+]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)nnc1C1CC1 ZINC001048810126 757068062 /nfs/dbraw/zinc/06/80/62/757068062.db2.gz GAQLCTHRQGKSIL-IYBDPMFKSA-N 1 2 339.443 0.996 20 30 ECEDLO C=CCC[NH+]1CC(n2cc(CNC(=O)CCc3nc[nH]n3)nn2)C1 ZINC001107153210 757115730 /nfs/dbraw/zinc/11/57/30/757115730.db2.gz XVQVGTHBLGGYBM-UHFFFAOYSA-N 1 2 330.396 0.078 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCCCO3)nn2)C1 ZINC001107159947 757133995 /nfs/dbraw/zinc/13/39/95/757133995.db2.gz ZGZQZUDELPMTIF-INIZCTEOSA-N 1 2 349.435 0.523 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CC[C@H]3CCOC3)nn2)C1 ZINC001107157363 757145692 /nfs/dbraw/zinc/14/56/92/757145692.db2.gz NZFRDVQQCTXVFB-AWEZNQCLSA-N 1 2 331.420 0.591 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)C#CC(C)C)nn2)C1 ZINC001107169862 757208166 /nfs/dbraw/zinc/20/81/66/757208166.db2.gz WXCZCVWPGUGFSN-UHFFFAOYSA-N 1 2 331.420 0.613 20 30 ECEDLO CC(C)C#CC(=O)NCc1cn(C2C[NH+](C[C@@H]3CC[C@@H](C)O3)C2)nn1 ZINC001107169756 757208227 /nfs/dbraw/zinc/20/82/27/757208227.db2.gz ROTZVPUVLRYQEU-PBHICJAKSA-N 1 2 345.447 0.978 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)[C@@H](C)COC)nn2)C1 ZINC001107179836 757296964 /nfs/dbraw/zinc/29/69/64/757296964.db2.gz SZJBXXCIWWXESF-UONOGXRCSA-N 1 2 333.436 0.693 20 30 ECEDLO C#CCN1CC(n2cc(CNC(=O)C(C)(C)n3c[nH+]c(C)c3)nn2)C1 ZINC001107182271 757316159 /nfs/dbraw/zinc/31/61/59/757316159.db2.gz QAXQPVTYIUKIMA-UHFFFAOYSA-N 1 2 341.419 0.324 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CC(C)(C)COC)nn2)C1 ZINC001107187048 757388295 /nfs/dbraw/zinc/38/82/95/757388295.db2.gz LUKNQPOCHFIXJC-UHFFFAOYSA-N 1 2 333.436 0.837 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H](OC)[C@@H]3CCOC3)nn2)C1 ZINC001107190535 757437916 /nfs/dbraw/zinc/43/79/16/757437916.db2.gz WLTCPSRFCPXNNB-CZUORRHYSA-N 1 2 349.435 0.379 20 30 ECEDLO C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1O ZINC001048937384 757463759 /nfs/dbraw/zinc/46/37/59/757463759.db2.gz ISRZTFVTIWEGKL-GJZGRUSLSA-N 1 2 348.447 0.739 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]21 ZINC001021593727 757658264 /nfs/dbraw/zinc/65/82/64/757658264.db2.gz NLXARLJFFMCBDX-GOEBONIOSA-N 1 2 326.400 0.815 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]21 ZINC001021593727 757658271 /nfs/dbraw/zinc/65/82/71/757658271.db2.gz NLXARLJFFMCBDX-GOEBONIOSA-N 1 2 326.400 0.815 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)[C@H]3CCCO3)nn2)C1 ZINC001107208319 757676870 /nfs/dbraw/zinc/67/68/70/757676870.db2.gz YMNUXFVLFLZCBO-XJKSGUPXSA-N 1 2 331.420 0.589 20 30 ECEDLO C=CCC[C@@H](C)[NH+]1CC(n2cc(CNC(=O)c3nc[nH]n3)nn2)C1 ZINC001107219323 757835935 /nfs/dbraw/zinc/83/59/35/757835935.db2.gz QJQUPIUJMXTZSD-LLVKDONJSA-N 1 2 330.396 0.538 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CC[C@@H]3CCCOC3)nn2)C1 ZINC001107224817 757926351 /nfs/dbraw/zinc/92/63/51/757926351.db2.gz DIWFXBFMVVTQSY-HNNXBMFYSA-N 1 2 345.447 0.981 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C[C@@H](C)[C@@H]3CCCO3)nn2)C1 ZINC001107232156 757951079 /nfs/dbraw/zinc/95/10/79/757951079.db2.gz VKOOYJXGEJSVFF-PBHICJAKSA-N 1 2 345.447 0.980 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H](CCC)NC(N)=O)nn2)C1 ZINC001107234187 757978141 /nfs/dbraw/zinc/97/81/41/757978141.db2.gz VKVFLIFXPISXMK-CQSZACIVSA-N 1 2 349.439 0.164 20 30 ECEDLO C=CCCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cnon4)C[C@@H]3C2)nn1 ZINC001049110145 757984488 /nfs/dbraw/zinc/98/44/88/757984488.db2.gz RKRNFKYEKMQDPD-BETUJISGSA-N 1 2 343.391 0.441 20 30 ECEDLO C=CCCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4cnon4)C[C@@H]3C2)nn1 ZINC001049110145 757984494 /nfs/dbraw/zinc/98/44/94/757984494.db2.gz RKRNFKYEKMQDPD-BETUJISGSA-N 1 2 343.391 0.441 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CNC(=O)C(C)(C)C)nn2)C1 ZINC001107234527 758017317 /nfs/dbraw/zinc/01/73/17/758017317.db2.gz HQFNJEDFHQCPPX-UHFFFAOYSA-N 1 2 334.424 0.099 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)Cc3csc(C)n3)nn2)C1 ZINC001107234654 758017910 /nfs/dbraw/zinc/01/79/10/758017910.db2.gz OJPPNXJJIZGNDE-UHFFFAOYSA-N 1 2 332.433 0.945 20 30 ECEDLO C=CCCOCC(=O)NC/C=C\CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001107234770 758018200 /nfs/dbraw/zinc/01/82/00/758018200.db2.gz AWZGSXDSHSIJEV-FPLPWBNLSA-N 1 2 334.424 0.923 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCCn3cccn3)nn2)C1 ZINC001107238099 758030393 /nfs/dbraw/zinc/03/03/93/758030393.db2.gz HAFZNPCADWDYTH-UHFFFAOYSA-N 1 2 341.419 0.451 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCCn3cccn3)nn2)C1 ZINC001107238209 758031010 /nfs/dbraw/zinc/03/10/10/758031010.db2.gz LZGAFUBZHTZGGJ-UHFFFAOYSA-N 1 2 329.408 0.614 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1O ZINC001049159130 758167983 /nfs/dbraw/zinc/16/79/83/758167983.db2.gz FBSDLEVFNASBKI-GJZGRUSLSA-N 1 2 348.447 0.975 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1O ZINC001049159130 758167990 /nfs/dbraw/zinc/16/79/90/758167990.db2.gz FBSDLEVFNASBKI-GJZGRUSLSA-N 1 2 348.447 0.975 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@H]1O ZINC001077139120 758296296 /nfs/dbraw/zinc/29/62/96/758296296.db2.gz YETUCQYOFFSLPK-GDBMZVCRSA-N 1 2 330.388 0.946 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@H]1O ZINC001077139120 758296306 /nfs/dbraw/zinc/29/63/06/758296306.db2.gz YETUCQYOFFSLPK-GDBMZVCRSA-N 1 2 330.388 0.946 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001011701909 758352609 /nfs/dbraw/zinc/35/26/09/758352609.db2.gz LWRHFLNJGJIBFA-SMDDNHRTSA-N 1 2 340.387 0.961 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC/C=C/CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001107346181 758358320 /nfs/dbraw/zinc/35/83/20/758358320.db2.gz MQSFYNCMNNWUEL-ABZNLYFFSA-N 1 2 332.408 0.369 20 30 ECEDLO N#Cc1cncc(NC/C=C/CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)n1 ZINC001107389378 758416671 /nfs/dbraw/zinc/41/66/71/758416671.db2.gz JPZQLKYXTQBEQP-ZIYVKSGCSA-N 1 2 337.387 0.892 20 30 ECEDLO N#Cc1ccc(NC/C=C\CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)nn1 ZINC001107393384 758449787 /nfs/dbraw/zinc/44/97/87/758449787.db2.gz CAIBZQSZZSWWNR-UIIMQBOASA-N 1 2 337.387 0.892 20 30 ECEDLO COC1CC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2O)C1 ZINC001077193934 758475702 /nfs/dbraw/zinc/47/57/02/758475702.db2.gz SNHZZDMIUSXKCF-GMGZGELVSA-N 1 2 347.390 0.784 20 30 ECEDLO COC1CC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2O)C1 ZINC001077193934 758475703 /nfs/dbraw/zinc/47/57/03/758475703.db2.gz SNHZZDMIUSXKCF-GMGZGELVSA-N 1 2 347.390 0.784 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nnnn1C)CC2 ZINC001107401566 758500039 /nfs/dbraw/zinc/50/00/39/758500039.db2.gz UNMWXYGHWSITIB-CKEIUWERSA-N 1 2 346.435 0.109 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nnnn1C)CC2 ZINC001107401566 758500048 /nfs/dbraw/zinc/50/00/48/758500048.db2.gz UNMWXYGHWSITIB-CKEIUWERSA-N 1 2 346.435 0.109 20 30 ECEDLO C=CCOc1ccccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001022301296 758540980 /nfs/dbraw/zinc/54/09/80/758540980.db2.gz MBJPKRCRLMCUDY-BETUJISGSA-N 1 2 342.403 0.826 20 30 ECEDLO Cn1ncc(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)c2cc(C#N)c[nH]2)n1 ZINC001049399691 758633068 /nfs/dbraw/zinc/63/30/68/758633068.db2.gz AXVCYVQZIYJKQQ-HZPDHXFCSA-N 1 2 339.403 0.894 20 30 ECEDLO Cn1ncc(C[N@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)c2cc(C#N)c[nH]2)n1 ZINC001049399691 758633072 /nfs/dbraw/zinc/63/30/72/758633072.db2.gz AXVCYVQZIYJKQQ-HZPDHXFCSA-N 1 2 339.403 0.894 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+](C[C@H]2CCc3ncnn32)C1 ZINC001030332813 762648796 /nfs/dbraw/zinc/64/87/96/762648796.db2.gz QMSSIXUDFHOISD-KFWWJZLASA-N 1 2 331.420 0.547 20 30 ECEDLO C=CCn1cc(C(=O)NC2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)nn1 ZINC000991675403 762648997 /nfs/dbraw/zinc/64/89/97/762648997.db2.gz DSRAONKBTOELFI-LBPRGKRZSA-N 1 2 343.391 0.253 20 30 ECEDLO Cn1[nH]c(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)C#CC2CC2)nc1=O ZINC001049468002 758763967 /nfs/dbraw/zinc/76/39/67/758763967.db2.gz SAETWSFJYYYUDW-UONOGXRCSA-N 1 2 329.404 0.087 20 30 ECEDLO Cn1[nH]c(C[N@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)C#CC2CC2)nc1=O ZINC001049468002 758763969 /nfs/dbraw/zinc/76/39/69/758763969.db2.gz SAETWSFJYYYUDW-UONOGXRCSA-N 1 2 329.404 0.087 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001077357379 758898816 /nfs/dbraw/zinc/89/88/16/758898816.db2.gz RZABXBAWHLJMFK-UONOGXRCSA-N 1 2 342.399 0.997 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C#CC3CC3)C2)nn1 ZINC001098669788 759059728 /nfs/dbraw/zinc/05/97/28/759059728.db2.gz XUQMMWQUAPRENZ-KRWDZBQOSA-N 1 2 341.415 0.204 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(N)=O ZINC001049692126 759105781 /nfs/dbraw/zinc/10/57/81/759105781.db2.gz QAZRDWQYFPNHOF-CABCVRRESA-N 1 2 330.363 0.748 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(N)=O ZINC001049692126 759105786 /nfs/dbraw/zinc/10/57/86/759105786.db2.gz QAZRDWQYFPNHOF-CABCVRRESA-N 1 2 330.363 0.748 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001051687211 762691502 /nfs/dbraw/zinc/69/15/02/762691502.db2.gz VBFGEOURABSJLL-UONOGXRCSA-N 1 2 332.404 0.345 20 30 ECEDLO N#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+]1CCOCC1)C2 ZINC001054245011 767861974 /nfs/dbraw/zinc/86/19/74/767861974.db2.gz MURRUGQSCCJTQB-HKUYNNGSSA-N 1 2 346.475 0.935 20 30 ECEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCS(=O)(=O)C3)cc2C1 ZINC001054273103 767887672 /nfs/dbraw/zinc/88/76/72/767887672.db2.gz UMKJXTZDKANBCN-HNNXBMFYSA-N 1 2 332.425 0.686 20 30 ECEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCS(=O)(=O)C3)cc2C1 ZINC001054273103 767887680 /nfs/dbraw/zinc/88/76/80/767887680.db2.gz UMKJXTZDKANBCN-HNNXBMFYSA-N 1 2 332.425 0.686 20 30 ECEDLO NC(=O)c1cccc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)n1 ZINC001032214517 759833837 /nfs/dbraw/zinc/83/38/37/759833837.db2.gz GXQGECVUFCEYCN-UHFFFAOYSA-N 1 2 348.406 0.894 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)[C@@H](O)C1 ZINC001083650478 760512973 /nfs/dbraw/zinc/51/29/73/760512973.db2.gz YDHAXQKOPWLCDW-YRXWBPOGSA-N 1 2 342.439 0.961 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)[C@@H](O)C1 ZINC001083650478 760512980 /nfs/dbraw/zinc/51/29/80/760512980.db2.gz YDHAXQKOPWLCDW-YRXWBPOGSA-N 1 2 342.439 0.961 20 30 ECEDLO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1O ZINC001048758051 761123782 /nfs/dbraw/zinc/12/37/82/761123782.db2.gz VIMZLQNJNDYFEX-HOTGVXAUSA-N 1 2 346.431 0.186 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1c1ccnc(C#N)n1 ZINC001048759842 761126315 /nfs/dbraw/zinc/12/63/15/761126315.db2.gz SJGZYNPTGGIPAV-UONOGXRCSA-N 1 2 339.403 0.798 20 30 ECEDLO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnc2ccccn2c1=O ZINC001050986113 761277552 /nfs/dbraw/zinc/27/75/52/761277552.db2.gz JRLWOFZURIOOAM-AWEZNQCLSA-N 1 2 340.383 0.148 20 30 ECEDLO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnc2ccccn2c1=O ZINC001050986113 761277554 /nfs/dbraw/zinc/27/75/54/761277554.db2.gz JRLWOFZURIOOAM-AWEZNQCLSA-N 1 2 340.383 0.148 20 30 ECEDLO Cc1nc(N2CC[C@H](n3cc(CNC(=O)[C@@H](C)C#N)nn3)C2)cc[nH+]1 ZINC001127103748 761278872 /nfs/dbraw/zinc/27/88/72/761278872.db2.gz GGZACSSXHQGFNJ-FZMZJTMJSA-N 1 2 340.391 0.604 20 30 ECEDLO N#Cc1nccc(NC[C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)n1 ZINC001060268028 761374243 /nfs/dbraw/zinc/37/42/43/761374243.db2.gz KIPBQPCLJSNFPK-GFCCVEGCSA-N 1 2 325.376 0.529 20 30 ECEDLO CC#CCN1CCOC[C@H]1CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001051046845 761390025 /nfs/dbraw/zinc/39/00/25/761390025.db2.gz VNVGNRYIMZOROP-QZTJIDSGSA-N 1 2 349.475 0.328 20 30 ECEDLO CC#CCN1CCOC[C@H]1CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001051046845 761390040 /nfs/dbraw/zinc/39/00/40/761390040.db2.gz VNVGNRYIMZOROP-QZTJIDSGSA-N 1 2 349.475 0.328 20 30 ECEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CS(=O)(=O)C(C)C)CC2)C1 ZINC001105734135 761409427 /nfs/dbraw/zinc/40/94/27/761409427.db2.gz BITRLPBGBOORBC-UHFFFAOYSA-N 1 2 344.477 0.687 20 30 ECEDLO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001054551249 768039375 /nfs/dbraw/zinc/03/93/75/768039375.db2.gz SXDUIOQLHQGFHX-MFKMUULPSA-N 1 2 343.391 0.586 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2COCC[N@@H+]2CC[C@H]2CCOC2)nn1 ZINC001051156584 761579850 /nfs/dbraw/zinc/57/98/50/761579850.db2.gz UQZZVYKNOJCNKG-GJZGRUSLSA-N 1 2 349.435 0.321 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2COCC[N@H+]2CC[C@H]2CCOC2)nn1 ZINC001051156584 761579857 /nfs/dbraw/zinc/57/98/57/761579857.db2.gz UQZZVYKNOJCNKG-GJZGRUSLSA-N 1 2 349.435 0.321 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn([C@H]2CCOC2)nn1 ZINC001051199847 761673575 /nfs/dbraw/zinc/67/35/75/761673575.db2.gz IOQPSANHLLAXJT-KBPBESRZSA-N 1 2 335.408 0.246 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn([C@H]2CCOC2)nn1 ZINC001051199847 761673578 /nfs/dbraw/zinc/67/35/78/761673578.db2.gz IOQPSANHLLAXJT-KBPBESRZSA-N 1 2 335.408 0.246 20 30 ECEDLO Cc1ccc(C#N)c(N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](O)C2)n1 ZINC001051719056 762791008 /nfs/dbraw/zinc/79/10/08/762791008.db2.gz RAJOIHOTXHDJLS-KBPBESRZSA-N 1 2 340.387 0.283 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cn3nccn3)C2)c(F)c1 ZINC001014565768 762837314 /nfs/dbraw/zinc/83/73/14/762837314.db2.gz NRNRYLMGNXTHGS-AWEZNQCLSA-N 1 2 328.351 0.680 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Cn3nccn3)C2)c(F)c1 ZINC001014565768 762837317 /nfs/dbraw/zinc/83/73/17/762837317.db2.gz NRNRYLMGNXTHGS-AWEZNQCLSA-N 1 2 328.351 0.680 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F ZINC001105928554 762842908 /nfs/dbraw/zinc/84/29/08/762842908.db2.gz VKDOSNYAFGGTKO-CYBMUJFWSA-N 1 2 346.366 0.348 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001017532215 768088990 /nfs/dbraw/zinc/08/89/90/768088990.db2.gz AGAMOVWDOQPMCO-UKRRQHHQSA-N 1 2 341.415 0.880 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[C@H]3CCNC3=O)C2)c(F)c1 ZINC001014713867 763031238 /nfs/dbraw/zinc/03/12/38/763031238.db2.gz ZJUOGZJWFTVEOR-HIFRSBDPSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C[C@H]3CCNC3=O)C2)c(F)c1 ZINC001014713867 763031247 /nfs/dbraw/zinc/03/12/47/763031247.db2.gz ZJUOGZJWFTVEOR-HIFRSBDPSA-N 1 2 344.390 0.914 20 30 ECEDLO C=C(C)CCC(=O)NC[C@H](O)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001105986330 763249198 /nfs/dbraw/zinc/24/91/98/763249198.db2.gz GCTBZTCUVPDVCK-ZDUSSCGKSA-N 1 2 333.436 0.710 20 30 ECEDLO C=C(C)CCC(=O)NC[C@H](O)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001105986330 763249205 /nfs/dbraw/zinc/24/92/05/763249205.db2.gz GCTBZTCUVPDVCK-ZDUSSCGKSA-N 1 2 333.436 0.710 20 30 ECEDLO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001054646698 768123882 /nfs/dbraw/zinc/12/38/82/768123882.db2.gz AIVWBQJIQZNWPF-TZMCWYRMSA-N 1 2 330.436 0.778 20 30 ECEDLO CNC(=O)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046930863 763409058 /nfs/dbraw/zinc/40/90/58/763409058.db2.gz KSBDGJICKSNONU-NSHDSACASA-N 1 2 339.346 0.319 20 30 ECEDLO CNC(=O)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046930863 763409061 /nfs/dbraw/zinc/40/90/61/763409061.db2.gz KSBDGJICKSNONU-NSHDSACASA-N 1 2 339.346 0.319 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@@H]3C(N)=O)C2)c(F)c1 ZINC001031899577 763447355 /nfs/dbraw/zinc/44/73/55/763447355.db2.gz QVMWJIKCSGFCCV-LSDHHAIUSA-N 1 2 344.390 0.757 20 30 ECEDLO CN1C(=O)CC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031901621 763475477 /nfs/dbraw/zinc/47/54/77/763475477.db2.gz IVOGDHVRTHHSOI-INIZCTEOSA-N 1 2 344.390 0.866 20 30 ECEDLO CN1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)C1=O ZINC001031909887 763522765 /nfs/dbraw/zinc/52/27/65/763522765.db2.gz FDVXLZSUNALQRK-HNNXBMFYSA-N 1 2 344.390 0.724 20 30 ECEDLO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001046994869 763532515 /nfs/dbraw/zinc/53/25/15/763532515.db2.gz HMFXIKPIYRIENT-LSDHHAIUSA-N 1 2 343.418 0.804 20 30 ECEDLO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001046994869 763532524 /nfs/dbraw/zinc/53/25/24/763532524.db2.gz HMFXIKPIYRIENT-LSDHHAIUSA-N 1 2 343.418 0.804 20 30 ECEDLO CC#CCN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001046994869 763532534 /nfs/dbraw/zinc/53/25/34/763532534.db2.gz HMFXIKPIYRIENT-LSDHHAIUSA-N 1 2 343.418 0.804 20 30 ECEDLO CC#CCN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001046994869 763532541 /nfs/dbraw/zinc/53/25/41/763532541.db2.gz HMFXIKPIYRIENT-LSDHHAIUSA-N 1 2 343.418 0.804 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3n[nH]c(C)c3C)C2)CC1 ZINC001051996761 763546221 /nfs/dbraw/zinc/54/62/21/763546221.db2.gz TWBRGBVTDUHJMK-MRXNPFEDSA-N 1 2 329.448 0.882 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(CCn3cccn3)CC2)C1 ZINC001051997673 763549084 /nfs/dbraw/zinc/54/90/84/763549084.db2.gz FQQZLNGDWUVWPY-HOTGVXAUSA-N 1 2 330.436 0.261 20 30 ECEDLO Cc1nnc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)o1 ZINC001051998193 763549966 /nfs/dbraw/zinc/54/99/66/763549966.db2.gz OVOBRRHORCTDOF-OCCSQVGLSA-N 1 2 332.408 0.256 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cncnc3)C2)CC1 ZINC001052020783 763602692 /nfs/dbraw/zinc/60/26/92/763602692.db2.gz JNQGMPQTWLJTHV-QGZVFWFLSA-N 1 2 329.448 0.814 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)CC1 ZINC001052021523 763605731 /nfs/dbraw/zinc/60/57/31/763605731.db2.gz DORJKBKQZXNVMX-QWHCGFSZSA-N 1 2 342.827 0.066 20 30 ECEDLO Cn1cc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)c(C2CC2)n1 ZINC001052035174 763640605 /nfs/dbraw/zinc/64/06/05/763640605.db2.gz CPZWRSVVCRWSOR-OAHLLOKOSA-N 1 2 342.447 0.653 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3CCNC3=O)C2)CC1 ZINC001052036672 763649582 /nfs/dbraw/zinc/64/95/82/763649582.db2.gz SCUNXUIQDVEBQC-JKSUJKDBSA-N 1 2 334.464 0.307 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)C3(F)CCOCC3)C2)CC1 ZINC001052036770 763650962 /nfs/dbraw/zinc/65/09/62/763650962.db2.gz UTNPUWKMSDSFRF-MRXNPFEDSA-N 1 2 337.439 0.747 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn4c3CCC4)C2)CC1 ZINC001052036838 763651021 /nfs/dbraw/zinc/65/10/21/763651021.db2.gz WAFPRKXAHDFFBH-INIZCTEOSA-N 1 2 341.459 0.685 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@H]3CCC(=O)NC3)C2)CC1 ZINC001052036933 763652655 /nfs/dbraw/zinc/65/26/55/763652655.db2.gz YKKISOFULYTPDC-SJORKVTESA-N 1 2 346.475 0.145 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc4cc[nH]c4c3)C2)CC1 ZINC001052040338 763661047 /nfs/dbraw/zinc/66/10/47/763661047.db2.gz CSXQHTOZUIHNNR-HNNXBMFYSA-N 1 2 338.415 0.919 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(OCC)n[nH]3)C2)CC1 ZINC001052040620 763662847 /nfs/dbraw/zinc/66/28/47/763662847.db2.gz IJULQRSSRRSYHN-AWEZNQCLSA-N 1 2 333.436 0.827 20 30 ECEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)cn1 ZINC001106008017 763664426 /nfs/dbraw/zinc/66/44/26/763664426.db2.gz UORDOUFOJDDJGR-MLGOLLRUSA-N 1 2 340.387 0.301 20 30 ECEDLO N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)nc1 ZINC001106008177 763665779 /nfs/dbraw/zinc/66/57/79/763665779.db2.gz WDDVXELUWDTMHV-HIFRSBDPSA-N 1 2 340.387 0.301 20 30 ECEDLO CCc1nn(C)cc1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052042098 763670800 /nfs/dbraw/zinc/67/08/00/763670800.db2.gz XXEGKDKHYBSIFV-CQSZACIVSA-N 1 2 330.436 0.338 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ncc(F)cc3F)C2)CC1 ZINC001052043425 763674677 /nfs/dbraw/zinc/67/46/77/763674677.db2.gz XWAIFDITUDNIQS-ZDUSSCGKSA-N 1 2 335.358 0.715 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCCn4nccc43)C2)CC1 ZINC001052044980 763681086 /nfs/dbraw/zinc/68/10/86/763681086.db2.gz PFKWIOAICASOAI-IRXDYDNUSA-N 1 2 341.459 0.612 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C2)CC1 ZINC001052048031 763694127 /nfs/dbraw/zinc/69/41/27/763694127.db2.gz JBYHROQUYSUPSO-OAHLLOKOSA-N 1 2 341.459 0.754 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn4cccnc4n3)C2)CC1 ZINC001052048538 763696464 /nfs/dbraw/zinc/69/64/64/763696464.db2.gz XDLXVBPRYLCGCX-OAHLLOKOSA-N 1 2 340.431 0.747 20 30 ECEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cn1 ZINC001106016767 763700486 /nfs/dbraw/zinc/70/04/86/763700486.db2.gz XBPFXAPCEVXNLX-SWLSCSKDSA-N 1 2 340.387 0.301 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc4nnnn4c3)C2)CC1 ZINC001052050180 763706314 /nfs/dbraw/zinc/70/63/14/763706314.db2.gz SIINAXNSAJMAID-HNNXBMFYSA-N 1 2 341.419 0.142 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001052051742 763712656 /nfs/dbraw/zinc/71/26/56/763712656.db2.gz VIJXEWWAKREFHJ-VXGBXAGGSA-N 1 2 335.433 0.420 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3ccon3)C2)CC1 ZINC001052052044 763714323 /nfs/dbraw/zinc/71/43/23/763714323.db2.gz GMTQQSQRDAXXFQ-QGZVFWFLSA-N 1 2 330.432 0.849 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@]34CCC[C@H]3OCC4)C2)CC1 ZINC001052054021 763719737 /nfs/dbraw/zinc/71/97/37/763719737.db2.gz WKHWLTPZELYALN-LMMKCTJWSA-N 1 2 331.460 0.797 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)NCC[NH2+]Cc1nc(CCOC)no1 ZINC001124483205 763735702 /nfs/dbraw/zinc/73/57/02/763735702.db2.gz KYIQOWSCWXGFQC-LBPRGKRZSA-N 1 2 326.397 0.446 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(CC(=O)N3CCC3)CC2)C1 ZINC001052062622 763747049 /nfs/dbraw/zinc/74/70/49/763747049.db2.gz LZZRXIVNIIFGLD-INIZCTEOSA-N 1 2 348.491 0.649 20 30 ECEDLO Cn1cc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)[nH]c1=O ZINC001031950915 763750194 /nfs/dbraw/zinc/75/01/94/763750194.db2.gz DSJPHQJPNZLFIL-UHFFFAOYSA-N 1 2 325.372 0.859 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)CC1 ZINC001052067262 763759191 /nfs/dbraw/zinc/75/91/91/763759191.db2.gz HJPSPVGQJQFHNL-HOTGVXAUSA-N 1 2 334.464 0.402 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3c(C)nc[nH]c3=O)C2)CC1 ZINC001052068731 763763523 /nfs/dbraw/zinc/76/35/23/763763523.db2.gz MXOCYVGNDZISPH-HNNXBMFYSA-N 1 2 343.431 0.346 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)[C@H]1C ZINC001088855355 763768220 /nfs/dbraw/zinc/76/82/20/763768220.db2.gz CNOPVVOIPMTROT-RQJABVFESA-N 1 2 343.855 0.954 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)[C@H]1C ZINC001088855355 763768226 /nfs/dbraw/zinc/76/82/26/763768226.db2.gz CNOPVVOIPMTROT-RQJABVFESA-N 1 2 343.855 0.954 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)COc3cnn(C)c3)C2)CC1 ZINC001052070622 763770003 /nfs/dbraw/zinc/77/00/03/763770003.db2.gz KBKDNKAXAMIYEU-INIZCTEOSA-N 1 2 345.447 0.041 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C3(c4cc(C)no4)CC3)C2)CC1 ZINC001052071184 763770921 /nfs/dbraw/zinc/77/09/21/763770921.db2.gz RACNIQUPTNNSAD-INIZCTEOSA-N 1 2 342.443 0.866 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc4nonc4c3)C2)CC1 ZINC001052074161 763779728 /nfs/dbraw/zinc/77/97/28/763779728.db2.gz VGXNTBWUZFAIDV-HNNXBMFYSA-N 1 2 339.399 0.688 20 30 ECEDLO C#CCCCCCC(=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001047189013 763784716 /nfs/dbraw/zinc/78/47/16/763784716.db2.gz ZLGICXXKHSPDMW-UHFFFAOYSA-N 1 2 332.404 0.225 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@H]([NH+]3CCN([C@@H]4CCNC4=O)CC3)C2)C1 ZINC001052083100 763804644 /nfs/dbraw/zinc/80/46/44/763804644.db2.gz ZYDGCVRBNWDSIV-JKSUJKDBSA-N 1 2 346.475 0.450 20 30 ECEDLO C=C(C)CCC(=O)N(C)C[C@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001124530858 763834495 /nfs/dbraw/zinc/83/44/95/763834495.db2.gz WAAGZKPKPHMMPZ-GFCCVEGCSA-N 1 2 332.408 0.951 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(COC)on3)C2)CC1 ZINC001052094170 763839946 /nfs/dbraw/zinc/83/99/46/763839946.db2.gz ZGQYFLBRLWIYNQ-AWEZNQCLSA-N 1 2 332.404 0.286 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(COC)on3)C2)CC1 ZINC001052094170 763839958 /nfs/dbraw/zinc/83/99/58/763839958.db2.gz ZGQYFLBRLWIYNQ-AWEZNQCLSA-N 1 2 332.404 0.286 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn(CC4CC4)nn3)C2)CC1 ZINC001052101934 763864669 /nfs/dbraw/zinc/86/46/69/763864669.db2.gz ALFHASLYXKYCIO-OAHLLOKOSA-N 1 2 343.435 0.044 20 30 ECEDLO CC[C@@H]1CCCN1C(=O)C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052104268 763871688 /nfs/dbraw/zinc/87/16/88/763871688.db2.gz YJNXMSGFXCVXSM-CVEARBPZSA-N 1 2 347.463 0.129 20 30 ECEDLO COCc1nocc1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052107898 763887715 /nfs/dbraw/zinc/88/77/15/763887715.db2.gz HRIBJEJTFGGVJP-CYBMUJFWSA-N 1 2 333.392 0.177 20 30 ECEDLO CN(C(=O)c1cc[nH]n1)[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC001047310976 763953425 /nfs/dbraw/zinc/95/34/25/763953425.db2.gz KYLCLSZKDLXDAI-HOTGVXAUSA-N 1 2 343.362 0.738 20 30 ECEDLO CN(C(=O)c1cc[nH]n1)[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC001047310976 763953434 /nfs/dbraw/zinc/95/34/34/763953434.db2.gz KYLCLSZKDLXDAI-HOTGVXAUSA-N 1 2 343.362 0.738 20 30 ECEDLO CCN(CCNc1ccnc(C#N)n1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001106964332 763994713 /nfs/dbraw/zinc/99/47/13/763994713.db2.gz IRHUBJFOCNACBB-ZDUSSCGKSA-N 1 2 327.392 0.878 20 30 ECEDLO CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)CCn2cc[nH+]c2)n1 ZINC001106039806 764016654 /nfs/dbraw/zinc/01/66/54/764016654.db2.gz WGYUQIAIQQIZLA-CYBMUJFWSA-N 1 2 343.391 0.086 20 30 ECEDLO C=CCOCC(=O)N1C[C@H](C)[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001052220825 764081235 /nfs/dbraw/zinc/08/12/35/764081235.db2.gz NBCFWJSNRFHVEP-KBPBESRZSA-N 1 2 334.420 0.756 20 30 ECEDLO N#Cc1ccc(N2CC=C(CCNC(=O)Cc3c[nH]c[nH+]3)CC2)nn1 ZINC001089865032 764143364 /nfs/dbraw/zinc/14/33/64/764143364.db2.gz JQCUDFWXYXLGSM-UHFFFAOYSA-N 1 2 337.387 0.957 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc([C@H]3CCCN3C)[nH]n2)C1 ZINC001047388234 764187212 /nfs/dbraw/zinc/18/72/12/764187212.db2.gz MAAUAAGPADTWDZ-IKGGRYGDSA-N 1 2 347.463 0.870 20 30 ECEDLO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc([C@H]3CCCN3C)[nH]n2)C1 ZINC001047388234 764187217 /nfs/dbraw/zinc/18/72/17/764187217.db2.gz MAAUAAGPADTWDZ-IKGGRYGDSA-N 1 2 347.463 0.870 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(C(F)(F)F)nc2)C1 ZINC001047420563 764291478 /nfs/dbraw/zinc/29/14/78/764291478.db2.gz KEECRPYXMMXNKL-QWRGUYRKSA-N 1 2 328.294 0.246 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(C(F)(F)F)nc2)C1 ZINC001047420563 764291484 /nfs/dbraw/zinc/29/14/84/764291484.db2.gz KEECRPYXMMXNKL-QWRGUYRKSA-N 1 2 328.294 0.246 20 30 ECEDLO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C1 ZINC001047445663 764369830 /nfs/dbraw/zinc/36/98/30/764369830.db2.gz IQYWKRQIORXYFM-GJZGRUSLSA-N 1 2 336.436 0.064 20 30 ECEDLO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C1 ZINC001047445663 764369838 /nfs/dbraw/zinc/36/98/38/764369838.db2.gz IQYWKRQIORXYFM-GJZGRUSLSA-N 1 2 336.436 0.064 20 30 ECEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2nc3ncccn3n2)C1 ZINC001032062101 764381960 /nfs/dbraw/zinc/38/19/60/764381960.db2.gz HBIOKAKXIXTQLG-UHFFFAOYSA-N 1 2 347.382 0.858 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2c1NC(=O)CO2 ZINC001017624927 768213574 /nfs/dbraw/zinc/21/35/74/768213574.db2.gz VKZDECBRTPPRNI-BETUJISGSA-N 1 2 325.368 0.940 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2c1NC(=O)CO2 ZINC001017624927 768213582 /nfs/dbraw/zinc/21/35/82/768213582.db2.gz VKZDECBRTPPRNI-BETUJISGSA-N 1 2 325.368 0.940 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)[C@H]1C ZINC001088915075 764448595 /nfs/dbraw/zinc/44/85/95/764448595.db2.gz IMSYOJDAFGYSIQ-VQEBWTGLSA-N 1 2 340.811 0.306 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)[C@H]1C ZINC001088915075 764448598 /nfs/dbraw/zinc/44/85/98/764448598.db2.gz IMSYOJDAFGYSIQ-VQEBWTGLSA-N 1 2 340.811 0.306 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)[C@H]2C[N@H+](Cc3ccccn3)C[C@@H]2O)c1 ZINC001047521527 764581414 /nfs/dbraw/zinc/58/14/14/764581414.db2.gz VAJZUKYXYPPIEY-ROUUACIJSA-N 1 2 336.395 0.775 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)[C@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2O)c1 ZINC001047521527 764581418 /nfs/dbraw/zinc/58/14/18/764581418.db2.gz VAJZUKYXYPPIEY-ROUUACIJSA-N 1 2 336.395 0.775 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NC[C@H](O)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001106080448 764709268 /nfs/dbraw/zinc/70/92/68/764709268.db2.gz NFAGDINKCJDASK-FZKQIMNGSA-N 1 2 347.463 0.956 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NC[C@H](O)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106080448 764709275 /nfs/dbraw/zinc/70/92/75/764709275.db2.gz NFAGDINKCJDASK-FZKQIMNGSA-N 1 2 347.463 0.956 20 30 ECEDLO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001052547243 764730755 /nfs/dbraw/zinc/73/07/55/764730755.db2.gz CXAYZMJQSUWTOC-ZBFHGGJFSA-N 1 2 342.443 0.977 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3ccccn3)no2)C1 ZINC001047581213 764766774 /nfs/dbraw/zinc/76/67/74/764766774.db2.gz OGHBSIIJEIFPMC-HOTGVXAUSA-N 1 2 340.383 0.877 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3ccccn3)no2)C1 ZINC001047581213 764766779 /nfs/dbraw/zinc/76/67/79/764766779.db2.gz OGHBSIIJEIFPMC-HOTGVXAUSA-N 1 2 340.383 0.877 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001047588366 764791215 /nfs/dbraw/zinc/79/12/15/764791215.db2.gz KIQLZFNNNXSKNI-KKUMJFAQSA-N 1 2 344.477 0.281 20 30 ECEDLO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001047588366 764791219 /nfs/dbraw/zinc/79/12/19/764791219.db2.gz KIQLZFNNNXSKNI-KKUMJFAQSA-N 1 2 344.477 0.281 20 30 ECEDLO C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1CN(c1nccnc1C#N)C2 ZINC001052596738 764822837 /nfs/dbraw/zinc/82/28/37/764822837.db2.gz XVDRWZVCHQYOKY-YVEFUNNKSA-N 1 2 337.387 0.599 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3nnc(C)[nH]3)CC2)nn1 ZINC001052773935 765095855 /nfs/dbraw/zinc/09/58/55/765095855.db2.gz BENZWVCJWZDWLG-CYBMUJFWSA-N 1 2 344.423 0.675 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3nnc(C)[nH]3)CC2)nn1 ZINC001052773935 765095862 /nfs/dbraw/zinc/09/58/62/765095862.db2.gz BENZWVCJWZDWLG-CYBMUJFWSA-N 1 2 344.423 0.675 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccnc(OC)n3)C2)c1 ZINC001015678441 765150373 /nfs/dbraw/zinc/15/03/73/765150373.db2.gz IDGYEMPTGKCZLB-INIZCTEOSA-N 1 2 337.383 0.866 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ccnc(OC)n3)C2)c1 ZINC001015678441 765150378 /nfs/dbraw/zinc/15/03/78/765150378.db2.gz IDGYEMPTGKCZLB-INIZCTEOSA-N 1 2 337.383 0.866 20 30 ECEDLO C[C@@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CCNC1=O ZINC001015695474 765176625 /nfs/dbraw/zinc/17/66/25/765176625.db2.gz KSGRMOQHSDDVQH-KBXCAEBGSA-N 1 2 344.390 0.914 20 30 ECEDLO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CCNC1=O ZINC001015695474 765176628 /nfs/dbraw/zinc/17/66/28/765176628.db2.gz KSGRMOQHSDDVQH-KBXCAEBGSA-N 1 2 344.390 0.914 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cncc(OC)n2)C1 ZINC001015726507 765242421 /nfs/dbraw/zinc/24/24/21/765242421.db2.gz OAIBWGDOJDIBNI-YUELXQCFSA-N 1 2 332.404 0.767 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cncc(OC)n2)C1 ZINC001015726507 765242424 /nfs/dbraw/zinc/24/24/24/765242424.db2.gz OAIBWGDOJDIBNI-YUELXQCFSA-N 1 2 332.404 0.767 20 30 ECEDLO C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001053035249 765510117 /nfs/dbraw/zinc/51/01/17/765510117.db2.gz UNBQTGNQHFJYDR-ZIAGYGMSSA-N 1 2 334.420 0.376 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3c2nc(C)cc3C)C1 ZINC001077492447 765543795 /nfs/dbraw/zinc/54/37/95/765543795.db2.gz JUSWEBRRPCRGAR-HUUCEWRRSA-N 1 2 327.388 0.144 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3c2nc(C)cc3C)C1 ZINC001077492447 765543798 /nfs/dbraw/zinc/54/37/98/765543798.db2.gz JUSWEBRRPCRGAR-HUUCEWRRSA-N 1 2 327.388 0.144 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001015967254 765634257 /nfs/dbraw/zinc/63/42/57/765634257.db2.gz BDLGNDDJZLVFAK-CHWSQXEVSA-N 1 2 330.388 0.339 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001015967254 765634262 /nfs/dbraw/zinc/63/42/62/765634262.db2.gz BDLGNDDJZLVFAK-CHWSQXEVSA-N 1 2 330.388 0.339 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C3CC3)C2)cn1 ZINC001016015916 765723635 /nfs/dbraw/zinc/72/36/35/765723635.db2.gz IZAHEFFWNMQOLR-HNNXBMFYSA-N 1 2 326.400 0.488 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)C2)cn1 ZINC001016015916 765723637 /nfs/dbraw/zinc/72/36/37/765723637.db2.gz IZAHEFFWNMQOLR-HNNXBMFYSA-N 1 2 326.400 0.488 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccnc(OC)n3)C2)cn1 ZINC001016032128 765734786 /nfs/dbraw/zinc/73/47/86/765734786.db2.gz VYXFAEKUSJBHSF-MRXNPFEDSA-N 1 2 337.383 0.866 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccnc(OC)n3)C2)cn1 ZINC001016032128 765734788 /nfs/dbraw/zinc/73/47/88/765734788.db2.gz VYXFAEKUSJBHSF-MRXNPFEDSA-N 1 2 337.383 0.866 20 30 ECEDLO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC1CS(=O)(=O)C1 ZINC001099130161 765895286 /nfs/dbraw/zinc/89/52/86/765895286.db2.gz HEHFSLCQWWLZHF-CQSZACIVSA-N 1 2 326.462 0.661 20 30 ECEDLO C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC1CS(=O)(=O)C1 ZINC001099130161 765895292 /nfs/dbraw/zinc/89/52/92/765895292.db2.gz HEHFSLCQWWLZHF-CQSZACIVSA-N 1 2 326.462 0.661 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCc3nncn3CC1)CCO2 ZINC001053345467 766007593 /nfs/dbraw/zinc/00/75/93/766007593.db2.gz SOYUZVCPTFKGQD-OAHLLOKOSA-N 1 2 345.447 0.720 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001017750956 768346449 /nfs/dbraw/zinc/34/64/49/768346449.db2.gz WYJBGSZUCXPOGP-CVEARBPZSA-N 1 2 344.415 0.749 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCOC3(C[NH+](CCC=C)C3)C2)nn1 ZINC001053467373 766181893 /nfs/dbraw/zinc/18/18/93/766181893.db2.gz IFYCJKQOWMOOTP-UHFFFAOYSA-N 1 2 331.420 0.957 20 30 ECEDLO C#CCCN1CC2(C1)CN(C(=O)[C@@H](c1cccnc1)[NH+](C)C)CCO2 ZINC001053542677 766308431 /nfs/dbraw/zinc/30/84/31/766308431.db2.gz MIGXEQCVIKHUOL-QGZVFWFLSA-N 1 2 342.443 0.621 20 30 ECEDLO Cn1cnc(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC001031647997 766335988 /nfs/dbraw/zinc/33/59/88/766335988.db2.gz FLUUFROZPVHDKX-UHFFFAOYSA-N 1 2 328.351 0.688 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn(C)nn1 ZINC001045851253 766433495 /nfs/dbraw/zinc/43/34/95/766433495.db2.gz UFJRLEMZZQGROB-TWMKSMIVSA-N 1 2 345.447 0.972 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn(C)nn1 ZINC001045851253 766433503 /nfs/dbraw/zinc/43/35/03/766433503.db2.gz UFJRLEMZZQGROB-TWMKSMIVSA-N 1 2 345.447 0.972 20 30 ECEDLO C=CCN1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCc3c[nH+]cn3C1)O2 ZINC001053619567 766449710 /nfs/dbraw/zinc/44/97/10/766449710.db2.gz SRONASKSHRFVMV-GOEBONIOSA-N 1 2 330.432 0.981 20 30 ECEDLO N#CCN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCc3c[nH+]cn3C1)O2 ZINC001053619763 766450549 /nfs/dbraw/zinc/45/05/49/766450549.db2.gz WIJGTRFCWXYVTM-UKRRQHHQSA-N 1 2 329.404 0.319 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cn(C)nc1OC)O2 ZINC001053635969 766488401 /nfs/dbraw/zinc/48/84/01/766488401.db2.gz RIKZZJNYXOBQLP-ZDUSSCGKSA-N 1 2 334.420 0.968 20 30 ECEDLO CCC(CC)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 ZINC001212253402 766498130 /nfs/dbraw/zinc/49/81/30/766498130.db2.gz FFAMRYHNNUTLEO-IAOVAPTHSA-N 1 2 349.475 0.909 20 30 ECEDLO CCC(CC)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 ZINC001212253402 766498137 /nfs/dbraw/zinc/49/81/37/766498137.db2.gz FFAMRYHNNUTLEO-IAOVAPTHSA-N 1 2 349.475 0.909 20 30 ECEDLO Cn1nnnc1C[NH+]1CCC2(C[C@@H]2NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001016564902 766509069 /nfs/dbraw/zinc/50/90/69/766509069.db2.gz LZTNECGMKWGCHW-ZDUSSCGKSA-N 1 2 340.391 0.194 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCc3nnn(C)c3C1)O2 ZINC001053651440 766513437 /nfs/dbraw/zinc/51/34/37/766513437.db2.gz CGDHOUNBYCXJMZ-KBPBESRZSA-N 1 2 345.447 0.456 20 30 ECEDLO Cn1nnnc1C[NH+]1CCC2(C[C@@H]2NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001016588819 766548366 /nfs/dbraw/zinc/54/83/66/766548366.db2.gz RDLHCYKRDRCCKZ-ZDUSSCGKSA-N 1 2 340.391 0.194 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC2(C[NH+](CCOC)C2)O1 ZINC001053675587 766558317 /nfs/dbraw/zinc/55/83/17/766558317.db2.gz PSSXOEKNIZUDSX-JYJNAYRXSA-N 1 2 338.448 0.964 20 30 ECEDLO CCn1ccnc1C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001046011750 766637297 /nfs/dbraw/zinc/63/72/97/766637297.db2.gz HBJUDFZIAKZZEP-HOTGVXAUSA-N 1 2 344.463 0.781 20 30 ECEDLO CCn1ccnc1C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001046011750 766637301 /nfs/dbraw/zinc/63/73/01/766637301.db2.gz HBJUDFZIAKZZEP-HOTGVXAUSA-N 1 2 344.463 0.781 20 30 ECEDLO O=C(C#CC1CC1)N1CCN([C@H]2CC[N@H+](Cc3ccon3)C2)CC1 ZINC001046028069 766690045 /nfs/dbraw/zinc/69/00/45/766690045.db2.gz XIZVIDQZPRNQBG-KRWDZBQOSA-N 1 2 328.416 0.807 20 30 ECEDLO O=C(C#CC1CC1)N1CCN([C@H]2CC[N@@H+](Cc3ccon3)C2)CC1 ZINC001046028069 766690047 /nfs/dbraw/zinc/69/00/47/766690047.db2.gz XIZVIDQZPRNQBG-KRWDZBQOSA-N 1 2 328.416 0.807 20 30 ECEDLO C[C@@H](C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1)c1ccnn1C ZINC001046030784 766698338 /nfs/dbraw/zinc/69/83/38/766698338.db2.gz AZAIVQMYHDYNEO-HUUCEWRRSA-N 1 2 330.436 0.266 20 30 ECEDLO Cn1cc(Cl)c(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)n1 ZINC001046032923 766707644 /nfs/dbraw/zinc/70/76/44/766707644.db2.gz KATLNLZFWJXEDT-LBPRGKRZSA-N 1 2 336.827 0.429 20 30 ECEDLO Cn1nccc1CCC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046033471 766709584 /nfs/dbraw/zinc/70/95/84/766709584.db2.gz GHTJRSZMTQKNOY-INIZCTEOSA-N 1 2 330.436 0.095 20 30 ECEDLO CCc1cccc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)n1 ZINC001046036336 766725620 /nfs/dbraw/zinc/72/56/20/766725620.db2.gz HLTDJEHOKRKWFA-INIZCTEOSA-N 1 2 327.432 1.000 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)c[nH+]1 ZINC001046039571 766744119 /nfs/dbraw/zinc/74/41/19/766744119.db2.gz RJUZLILBCGQPCH-MRXNPFEDSA-N 1 2 344.463 0.669 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@H]1OC ZINC001212264443 766744359 /nfs/dbraw/zinc/74/43/59/766744359.db2.gz JIPCGTDPXRLDKB-FVQBIDKESA-N 1 2 332.404 0.139 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2nccnc2C)C[C@H]1OC ZINC001212264443 766744365 /nfs/dbraw/zinc/74/43/65/766744365.db2.gz JIPCGTDPXRLDKB-FVQBIDKESA-N 1 2 332.404 0.139 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3ncnc4[nH]ccc43)CC2)C1 ZINC001046042527 766756226 /nfs/dbraw/zinc/75/62/26/766756226.db2.gz XCPOOBITILZWNN-ZDUSSCGKSA-N 1 2 339.403 0.265 20 30 ECEDLO Cc1n[nH]c(=O)c(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)c1C ZINC001046050764 766789119 /nfs/dbraw/zinc/78/91/19/766789119.db2.gz OQOCFTOPCWBZOJ-AWEZNQCLSA-N 1 2 344.419 0.155 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cnn4cccnc34)CC2)C1 ZINC001046050947 766789415 /nfs/dbraw/zinc/78/94/15/766789415.db2.gz UBKFIGXSQUESSH-CQSZACIVSA-N 1 2 339.403 0.085 20 30 ECEDLO C#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cc(C(F)F)[nH]n3)CC2)C1 ZINC001046060476 766825500 /nfs/dbraw/zinc/82/55/00/766825500.db2.gz AJTHOPLKTNUCIX-LBPRGKRZSA-N 1 2 337.374 0.813 20 30 ECEDLO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(C(F)F)[nH]n3)CC2)C1 ZINC001046060476 766825504 /nfs/dbraw/zinc/82/55/04/766825504.db2.gz AJTHOPLKTNUCIX-LBPRGKRZSA-N 1 2 337.374 0.813 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@H]3Cc4ccncc4C3)CC2)C1 ZINC001046064158 766841097 /nfs/dbraw/zinc/84/10/97/766841097.db2.gz GWPCYUWVVJELCS-FUHWJXTLSA-N 1 2 339.443 0.538 20 30 ECEDLO Cn1cc([C@@H]2C[C@H]2C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)cn1 ZINC001046066273 766853185 /nfs/dbraw/zinc/85/31/85/766853185.db2.gz BYZRIIRWAKKALO-IXDOHACOSA-N 1 2 342.447 0.266 20 30 ECEDLO CCn1cc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)c(C)n1 ZINC001046069423 766867087 /nfs/dbraw/zinc/86/70/87/766867087.db2.gz FXLKWYZARLOIDZ-HNNXBMFYSA-N 1 2 330.436 0.567 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cn(CCOC)nn1)CO2 ZINC001053796341 766867563 /nfs/dbraw/zinc/86/75/63/766867563.db2.gz HGJWFYDBNQETMM-ZDUSSCGKSA-N 1 2 335.408 0.074 20 30 ECEDLO CN(C(=O)Cc1c[nH+]cn1C)C1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001016766501 766880533 /nfs/dbraw/zinc/88/05/33/766880533.db2.gz PDOHBOYONGWRCG-UHFFFAOYSA-N 1 2 340.387 0.582 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc(N(C)C)cn1)CO2 ZINC001053801973 766886505 /nfs/dbraw/zinc/88/65/05/766886505.db2.gz XAUCPDAPQMGCGJ-CYBMUJFWSA-N 1 2 331.420 0.692 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc(N(C)C)cn1)CO2 ZINC001053801974 766886653 /nfs/dbraw/zinc/88/66/53/766886653.db2.gz XAUCPDAPQMGCGJ-ZDUSSCGKSA-N 1 2 331.420 0.692 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](O)CNc1ncccc1C#N ZINC001106135189 766899977 /nfs/dbraw/zinc/89/99/77/766899977.db2.gz OERBMVFFPNYDON-SMDDNHRTSA-N 1 2 328.376 0.444 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](O)CNc1ncccc1C#N ZINC001106135189 766899989 /nfs/dbraw/zinc/89/99/89/766899989.db2.gz OERBMVFFPNYDON-SMDDNHRTSA-N 1 2 328.376 0.444 20 30 ECEDLO C[C@H](CC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1)N1CCCC1=O ZINC001046077216 766906474 /nfs/dbraw/zinc/90/64/74/766906474.db2.gz SQWXKZWTSLFZIY-CVEARBPZSA-N 1 2 347.463 0.129 20 30 ECEDLO Cc1nc(CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)cs1 ZINC001046083076 766922785 /nfs/dbraw/zinc/92/27/85/766922785.db2.gz KSJLMGMRQGMEBH-OAHLLOKOSA-N 1 2 333.461 0.736 20 30 ECEDLO Cc1ccc(CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)cn1 ZINC001046083826 766923511 /nfs/dbraw/zinc/92/35/11/766923511.db2.gz BLAAUJBXXBBFOO-QGZVFWFLSA-N 1 2 327.432 0.675 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC(=O)N(C(C)C)C1)CO2 ZINC001053818543 766925836 /nfs/dbraw/zinc/92/58/36/766925836.db2.gz MZGRDZKFOUKDCN-CABCVRRESA-N 1 2 333.432 0.226 20 30 ECEDLO Cc1cc(C)n([C@H](C)C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)n1 ZINC001046084998 766926120 /nfs/dbraw/zinc/92/61/20/766926120.db2.gz JLHXDAMSXNFLQG-IAGOWNOFSA-N 1 2 344.463 0.803 20 30 ECEDLO C[C@@H](C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1)c1cnn(C)c1 ZINC001046085775 766926695 /nfs/dbraw/zinc/92/66/95/766926695.db2.gz DMOMKHKTKGSUDD-GDBMZVCRSA-N 1 2 330.436 0.266 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn3c(n1)CCCC3)CO2 ZINC001053821941 766939897 /nfs/dbraw/zinc/93/98/97/766939897.db2.gz BMZLYKLGCWYJQC-CQSZACIVSA-N 1 2 328.416 0.816 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnn3ccncc13)CO2 ZINC001053831014 766964851 /nfs/dbraw/zinc/96/48/51/766964851.db2.gz RWDHVDGMGSKCPF-CYBMUJFWSA-N 1 2 327.388 0.879 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3snnc3C)C2)C1=O ZINC001046132453 766965808 /nfs/dbraw/zinc/96/58/08/766965808.db2.gz GWXORRSRDMZKEW-MLGOLLRUSA-N 1 2 349.460 0.828 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3snnc3C)C2)C1=O ZINC001046132453 766965813 /nfs/dbraw/zinc/96/58/13/766965813.db2.gz GWXORRSRDMZKEW-MLGOLLRUSA-N 1 2 349.460 0.828 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc3c(cn1)OCCO3)CO2 ZINC001053831629 766966576 /nfs/dbraw/zinc/96/65/76/766966576.db2.gz LIGLDFLBSFWMCX-CYBMUJFWSA-N 1 2 343.383 0.449 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cncc3ncn(C)c31)CO2 ZINC001053834553 766972594 /nfs/dbraw/zinc/97/25/94/766972594.db2.gz PLJFFYXFFVHSQN-CYBMUJFWSA-N 1 2 339.399 0.565 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc3n[nH]cc3c1)CO2 ZINC001053843042 766996105 /nfs/dbraw/zinc/99/61/05/766996105.db2.gz CVHNBASSZZAFLW-AWEZNQCLSA-N 1 2 325.372 0.554 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn3c(n1)COCC3)CO2 ZINC001053848226 767010479 /nfs/dbraw/zinc/01/04/79/767010479.db2.gz UURAQYWBRFERFN-CYBMUJFWSA-N 1 2 330.388 0.010 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc(C(N)=O)c1)CO2 ZINC001053849854 767014760 /nfs/dbraw/zinc/01/47/60/767014760.db2.gz WGJLSTQIRDBRIM-HNNXBMFYSA-N 1 2 329.400 0.935 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C1CCC(C(N)=O)CC1)CO2 ZINC001053851217 767018772 /nfs/dbraw/zinc/01/87/72/767018772.db2.gz NWZDNOGXUVSXJS-NRXISQOPSA-N 1 2 335.448 0.814 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C1CCC(C(N)=O)CC1)CO2 ZINC001053851218 767019318 /nfs/dbraw/zinc/01/93/18/767019318.db2.gz NWZDNOGXUVSXJS-YMAMQOFZSA-N 1 2 335.448 0.814 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnn3c1OCCC3)CO2 ZINC001053858891 767048534 /nfs/dbraw/zinc/04/85/34/767048534.db2.gz UOSWRAZTJHEHLI-CYBMUJFWSA-N 1 2 330.388 0.262 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc3nccn3c1)CO2 ZINC001053870761 767088208 /nfs/dbraw/zinc/08/82/08/767088208.db2.gz QDWFTHBBQNUSTF-AWEZNQCLSA-N 1 2 325.372 0.326 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc3c(c1)nnn3C)CO2 ZINC001053872063 767093655 /nfs/dbraw/zinc/09/36/55/767093655.db2.gz QZESTBPICRIPOZ-ZDUSSCGKSA-N 1 2 342.403 0.513 20 30 ECEDLO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001046306589 767138202 /nfs/dbraw/zinc/13/82/02/767138202.db2.gz KWKVNZCVUQNIKN-UHFFFAOYSA-N 1 2 346.431 0.733 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(CC)nnc1C)CO2 ZINC001053881517 767150450 /nfs/dbraw/zinc/15/04/50/767150450.db2.gz LACSQKTVBCVOAE-HNNXBMFYSA-N 1 2 328.416 0.944 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C3CCC3)nn2)[C@H](OC)C1 ZINC001212289526 767162092 /nfs/dbraw/zinc/16/20/92/767162092.db2.gz KHIIKGAGOCXOMS-GDBMZVCRSA-N 1 2 347.419 0.082 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2cn(C3CCC3)nn2)[C@H](OC)C1 ZINC001212289526 767162096 /nfs/dbraw/zinc/16/20/96/767162096.db2.gz KHIIKGAGOCXOMS-GDBMZVCRSA-N 1 2 347.419 0.082 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CCOCC(F)F)[C@H](OC)C1 ZINC001212291661 767168455 /nfs/dbraw/zinc/16/84/55/767168455.db2.gz NZGZIRGGKVYIHW-CHWSQXEVSA-N 1 2 334.363 0.123 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CCOCC(F)F)[C@H](OC)C1 ZINC001212291661 767168457 /nfs/dbraw/zinc/16/84/57/767168457.db2.gz NZGZIRGGKVYIHW-CHWSQXEVSA-N 1 2 334.363 0.123 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)Cn2ccc(C)n2)[C@H](OC)C1 ZINC001212330071 767227341 /nfs/dbraw/zinc/22/73/41/767227341.db2.gz LGWCSSDZOMSSTC-DJIMGWMZSA-N 1 2 348.447 0.293 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cn2ccc(C)n2)[C@H](OC)C1 ZINC001212330071 767227343 /nfs/dbraw/zinc/22/73/43/767227343.db2.gz LGWCSSDZOMSSTC-DJIMGWMZSA-N 1 2 348.447 0.293 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)nnc2C)[C@H](OC)C1 ZINC001212332833 767233624 /nfs/dbraw/zinc/23/36/24/767233624.db2.gz MRYSEJFSLLDJBD-HZPDHXFCSA-N 1 2 332.404 0.172 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)nnc2C)[C@H](OC)C1 ZINC001212332833 767233626 /nfs/dbraw/zinc/23/36/26/767233626.db2.gz MRYSEJFSLLDJBD-HZPDHXFCSA-N 1 2 332.404 0.172 20 30 ECEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCC(=O)NC1 ZINC001031804488 767236803 /nfs/dbraw/zinc/23/68/03/767236803.db2.gz ZHRNWCLOOYEQFM-INIZCTEOSA-N 1 2 343.402 0.751 20 30 ECEDLO Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC001106158692 767425333 /nfs/dbraw/zinc/42/53/33/767425333.db2.gz ZJXBQWZMIYIPCB-MGPQQGTHSA-N 1 2 340.387 0.678 20 30 ECEDLO Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1 ZINC001106158692 767425341 /nfs/dbraw/zinc/42/53/41/767425341.db2.gz ZJXBQWZMIYIPCB-MGPQQGTHSA-N 1 2 340.387 0.678 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc3cccnn31)CO2 ZINC001053948154 767428229 /nfs/dbraw/zinc/42/82/29/767428229.db2.gz GINXPKGOKFJWSC-CYBMUJFWSA-N 1 2 327.388 0.879 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C(N)=O)s1)CO2 ZINC001053953991 767440586 /nfs/dbraw/zinc/44/05/86/767440586.db2.gz GCBCDNPYDRTVTM-LLVKDONJSA-N 1 2 335.429 0.996 20 30 ECEDLO C=CCn1cc(C(=O)N[C@]2(C)CC[N@@H+](Cc3cnc(C)nc3)C2)nn1 ZINC001046681488 767471148 /nfs/dbraw/zinc/47/11/48/767471148.db2.gz NUHQAOFTMBFKIK-QGZVFWFLSA-N 1 2 341.419 0.957 20 30 ECEDLO C=CCn1cc(C(=O)N[C@]2(C)CC[N@H+](Cc3cnc(C)nc3)C2)nn1 ZINC001046681488 767471152 /nfs/dbraw/zinc/47/11/52/767471152.db2.gz NUHQAOFTMBFKIK-QGZVFWFLSA-N 1 2 341.419 0.957 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@]1(C)CCN(C(C)=O)C1)CO2 ZINC001053976889 767508882 /nfs/dbraw/zinc/50/88/82/767508882.db2.gz JLMLVEBHJZIIOX-NVXWUHKLSA-N 1 2 333.432 0.228 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cccn3c(=O)[nH]nc13)CO2 ZINC001053981342 767522653 /nfs/dbraw/zinc/52/26/53/767522653.db2.gz IGWLCXMQHAIWFC-LBPRGKRZSA-N 1 2 343.387 0.584 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C3CC4(CCC4)C3)[C@@H](O)C2)C1=O ZINC001083709624 767526034 /nfs/dbraw/zinc/52/60/34/767526034.db2.gz AANPHLJJURPWPP-OAGGEKHMSA-N 1 2 347.459 0.515 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C3CC4(CCC4)C3)[C@@H](O)C2)C1=O ZINC001083709624 767526041 /nfs/dbraw/zinc/52/60/41/767526041.db2.gz AANPHLJJURPWPP-OAGGEKHMSA-N 1 2 347.459 0.515 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2COC3(C[NH+]([C@@H](C)COC)C3)C2)nc1 ZINC001053985658 767535285 /nfs/dbraw/zinc/53/52/85/767535285.db2.gz VZBHXVJOKQGDHG-DZGCQCFKSA-N 1 2 329.400 0.671 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc3c([nH]c1=O)CCC3)CO2 ZINC001054005482 767574300 /nfs/dbraw/zinc/57/43/00/767574300.db2.gz DSMGHONWLARMCN-AWEZNQCLSA-N 1 2 341.411 0.872 20 30 ECEDLO Cn1nnnc1C[N@H+](C)C[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001017092626 767575239 /nfs/dbraw/zinc/57/52/39/767575239.db2.gz IFJCDMONACQTOP-LBPRGKRZSA-N 1 2 342.407 0.394 20 30 ECEDLO Cn1nnnc1C[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001017092626 767575243 /nfs/dbraw/zinc/57/52/43/767575243.db2.gz IFJCDMONACQTOP-LBPRGKRZSA-N 1 2 342.407 0.394 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1csc3nccn13)CO2 ZINC001054008951 767586459 /nfs/dbraw/zinc/58/64/59/767586459.db2.gz KORPPJWCFSWMMM-CYBMUJFWSA-N 1 2 344.440 0.921 20 30 ECEDLO C#Cc1cncc(C(=O)NC2CC(N(C)C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC001017103920 767587806 /nfs/dbraw/zinc/58/78/06/767587806.db2.gz PWTJYVRFTIYNHA-UHFFFAOYSA-N 1 2 337.383 0.748 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C(N)=O)cs1)CO2 ZINC001054017833 767609658 /nfs/dbraw/zinc/60/96/58/767609658.db2.gz NEGOOOUODXICTL-LBPRGKRZSA-N 1 2 335.429 0.996 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001054048408 767646531 /nfs/dbraw/zinc/64/65/31/767646531.db2.gz AUGPYBVUXPQQDP-CVEARBPZSA-N 1 2 326.400 0.186 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001054048408 767646534 /nfs/dbraw/zinc/64/65/34/767646534.db2.gz AUGPYBVUXPQQDP-CVEARBPZSA-N 1 2 326.400 0.186 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)NC[C@H](O)CNc1ncccc1C#N ZINC001106185373 767773253 /nfs/dbraw/zinc/77/32/53/767773253.db2.gz XUCNPROKNYWOTL-ZDUSSCGKSA-N 1 2 328.376 0.209 20 30 ECEDLO C=C(C)C[NH+]1CC(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 ZINC001031086347 767848281 /nfs/dbraw/zinc/84/82/81/767848281.db2.gz PARIALHQAHPDRG-DOTOQJQBSA-N 1 2 328.416 0.978 20 30 ECEDLO CN(CCOCCNc1ccncc1C#N)C(=O)Cc1[nH]cc[nH+]1 ZINC001127357296 768464839 /nfs/dbraw/zinc/46/48/39/768464839.db2.gz MLMQCTCUTYAMDH-UHFFFAOYSA-N 1 2 328.376 0.228 20 30 ECEDLO N#Cc1cnc(N[C@@H]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]23)cn1 ZINC001060534705 768560420 /nfs/dbraw/zinc/56/04/20/768560420.db2.gz DISMNJGLASPLQQ-VHDGCEQUSA-N 1 2 337.387 0.894 20 30 ECEDLO N#Cc1nccc(N[C@@H]2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]23)n1 ZINC001060540617 768644124 /nfs/dbraw/zinc/64/41/24/768644124.db2.gz BDXJZOHGUWIQOP-FRRDWIJNSA-N 1 2 337.387 0.385 20 30 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CN(C)c1nc(C[NH2+][C@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)ns1 ZINC001020057789 772114392 /nfs/dbraw/zinc/11/43/92/772114392.db2.gz KLKXGAOJHYIPJB-XYPYZODXSA-N 1 2 345.432 0.854 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CCCN(c2ccnc(C#N)n2)CC1 ZINC001057263379 772368966 /nfs/dbraw/zinc/36/89/66/772368966.db2.gz LFIOZSTVMRUDIR-UHFFFAOYSA-N 1 2 339.403 0.753 20 30 ECEDLO C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)CCc1[nH]cc[nH+]1 ZINC001057459802 772646237 /nfs/dbraw/zinc/64/62/37/772646237.db2.gz OMCQDJRGBOKXSB-UHFFFAOYSA-N 1 2 336.436 0.882 20 30 ECEDLO N#Cc1nccnc1NCC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001057503606 772691889 /nfs/dbraw/zinc/69/18/89/772691889.db2.gz VWQPKDNDZXAYLY-UHFFFAOYSA-N 1 2 325.376 0.895 20 30 ECEDLO C[C@@H](CC(=O)NCCN(CCO)C(=O)C#CC(C)(C)C)n1cc[nH+]c1 ZINC001057540800 772736425 /nfs/dbraw/zinc/73/64/25/772736425.db2.gz GAXFSDSMIBPULR-HNNXBMFYSA-N 1 2 348.447 0.821 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NCCN(CCO)C(=O)CCc1c[nH]c[nH+]1 ZINC001057901427 773159181 /nfs/dbraw/zinc/15/91/81/773159181.db2.gz SXGMSPBKNOAVPK-AWEZNQCLSA-N 1 2 336.436 0.882 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NCCN(CCO)C(=O)CCc1c[nH+]c[nH]1 ZINC001057901427 773159183 /nfs/dbraw/zinc/15/91/83/773159183.db2.gz SXGMSPBKNOAVPK-AWEZNQCLSA-N 1 2 336.436 0.882 20 30 ECEDLO C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001057946722 773248884 /nfs/dbraw/zinc/24/88/84/773248884.db2.gz IZOJZWWAYIFMBV-OAHLLOKOSA-N 1 2 346.431 0.186 20 30 ECEDLO CC(C)C#CC(=O)NCCN(CCO)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001058035106 773396073 /nfs/dbraw/zinc/39/60/73/773396073.db2.gz SFEXTEXOYVXFTP-UHFFFAOYSA-N 1 2 342.399 0.773 20 30 ECEDLO CN(C(=O)Cc1[nH]cc[nH+]1)C1CCN(c2nccnc2C#N)CC1 ZINC001058061760 773456433 /nfs/dbraw/zinc/45/64/33/773456433.db2.gz OMCRCDGFQCXAOH-UHFFFAOYSA-N 1 2 325.376 0.741 20 30 ECEDLO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001058304238 773938776 /nfs/dbraw/zinc/93/87/76/773938776.db2.gz ZGVHEITTWJFDRI-AWEZNQCLSA-N 1 2 336.436 0.984 20 30 ECEDLO C=CCCCC(=O)NCCN(CCO)C(=O)CCc1[nH+]ccn1C ZINC001058352858 774022457 /nfs/dbraw/zinc/02/24/57/774022457.db2.gz KXLHMUROGXZTQB-UHFFFAOYSA-N 1 2 336.436 0.646 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)nn1 ZINC001058481157 774271529 /nfs/dbraw/zinc/27/15/29/774271529.db2.gz KRUHCMKPLVDXOF-TZMCWYRMSA-N 1 2 337.387 0.502 20 30 ECEDLO CCc1nc(C#N)cc(N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001058562536 774440995 /nfs/dbraw/zinc/44/09/95/774440995.db2.gz MIXYGIQYGOUQAY-LLVKDONJSA-N 1 2 325.376 0.571 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001044985291 774800799 /nfs/dbraw/zinc/80/07/99/774800799.db2.gz JARBAUCAWIHKBJ-ZIAGYGMSSA-N 1 2 334.420 0.421 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001045059079 774910937 /nfs/dbraw/zinc/91/09/37/774910937.db2.gz LOQOAZWJUACKOU-CQSZACIVSA-N 1 2 348.447 0.645 20 30 ECEDLO C[C@@H](c1nnnn1C)[NH+]1CCC(C)(NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001045401365 775542784 /nfs/dbraw/zinc/54/27/84/775542784.db2.gz LHNKISTXPZUVPF-NSHDSACASA-N 1 2 342.407 0.755 20 30 ECEDLO C[C@H](c1nnnn1C)[NH+]1CCC(C)(NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001045411439 775557222 /nfs/dbraw/zinc/55/72/22/775557222.db2.gz FQNKTDMZEVIHAE-LLVKDONJSA-N 1 2 342.407 0.755 20 30 ECEDLO C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001045462495 775646781 /nfs/dbraw/zinc/64/67/81/775646781.db2.gz ISMYHVIJIQVGSO-CHWSQXEVSA-N 1 2 332.404 0.559 20 30 ECEDLO C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001045462495 775646789 /nfs/dbraw/zinc/64/67/89/775646789.db2.gz ISMYHVIJIQVGSO-CHWSQXEVSA-N 1 2 332.404 0.559 20 30 ECEDLO Cc1c[nH+]c2cc(C(=O)N3CC(O)(CNC(=O)[C@@H](C)C#N)C3)ccn12 ZINC001045546017 775771053 /nfs/dbraw/zinc/77/10/53/775771053.db2.gz GPNXCXLUBMYRLC-NSHDSACASA-N 1 2 341.371 0.106 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2cnn(C)n2)CC1 ZINC001045560446 775802742 /nfs/dbraw/zinc/80/27/42/775802742.db2.gz SXKUNYZVJOSWTJ-CABCVRRESA-N 1 2 333.436 0.877 20 30 ECEDLO C=CCN1CC[C@H](N2CC(N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)C1=O ZINC001044231903 775944812 /nfs/dbraw/zinc/94/48/12/775944812.db2.gz CVCWIKOHQBKURH-HNNXBMFYSA-N 1 2 331.420 0.190 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001044714358 776685839 /nfs/dbraw/zinc/68/58/39/776685839.db2.gz ITOVIKRLBJSDEI-ZIAGYGMSSA-N 1 2 348.447 0.500 20 30 ECEDLO N#Cc1ccc(N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H](O)C2)cn1 ZINC001044748687 776738100 /nfs/dbraw/zinc/73/81/00/776738100.db2.gz HBAANGAGTHARID-XOUADPBQSA-N 1 2 338.371 0.146 20 30 ECEDLO N#Cc1ccc(N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H](O)C2)cn1 ZINC001044748687 776738110 /nfs/dbraw/zinc/73/81/10/776738110.db2.gz HBAANGAGTHARID-XOUADPBQSA-N 1 2 338.371 0.146 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnn3c2CCCC3)[C@@H](n2ccnn2)C1 ZINC001070069200 790500426 /nfs/dbraw/zinc/50/04/26/790500426.db2.gz PIKPZGRILURDFD-ZBFHGGJFSA-N 1 2 339.403 0.099 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn3c2CCCC3)[C@@H](n2ccnn2)C1 ZINC001070069200 790500429 /nfs/dbraw/zinc/50/04/29/790500429.db2.gz PIKPZGRILURDFD-ZBFHGGJFSA-N 1 2 339.403 0.099 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001079895047 777035917 /nfs/dbraw/zinc/03/59/17/777035917.db2.gz QAHXOWFOTRNYOU-ADEWGFFLSA-N 1 2 344.253 0.858 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001079895047 777035924 /nfs/dbraw/zinc/03/59/24/777035924.db2.gz QAHXOWFOTRNYOU-ADEWGFFLSA-N 1 2 344.253 0.858 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001080014510 777232528 /nfs/dbraw/zinc/23/25/28/777232528.db2.gz WIVLQEVPNPYJFJ-HBUWYVDXSA-N 1 2 346.431 0.900 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001080014510 777232533 /nfs/dbraw/zinc/23/25/33/777232533.db2.gz WIVLQEVPNPYJFJ-HBUWYVDXSA-N 1 2 346.431 0.900 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)Cc2c[nH+]cn2C)C1 ZINC001080142982 777458059 /nfs/dbraw/zinc/45/80/59/777458059.db2.gz PVCYUGIUEWJJCF-CYBMUJFWSA-N 1 2 332.404 0.060 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2ccc(F)cc2)[C@@H](n2ccnn2)C1 ZINC001070088374 790562628 /nfs/dbraw/zinc/56/26/28/790562628.db2.gz ZBYYSCOPPMTIHK-CVEARBPZSA-N 1 2 327.363 0.635 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2ccc(F)cc2)[C@@H](n2ccnn2)C1 ZINC001070088374 790562635 /nfs/dbraw/zinc/56/26/35/790562635.db2.gz ZBYYSCOPPMTIHK-CVEARBPZSA-N 1 2 327.363 0.635 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)n(C)c2C)[C@@H](n2ccnn2)C1 ZINC001070093778 790580385 /nfs/dbraw/zinc/58/03/85/790580385.db2.gz HEHXNYYCDMGWTQ-CVEARBPZSA-N 1 2 326.404 0.522 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)n(C)c2C)[C@@H](n2ccnn2)C1 ZINC001070093778 790580391 /nfs/dbraw/zinc/58/03/91/790580391.db2.gz HEHXNYYCDMGWTQ-CVEARBPZSA-N 1 2 326.404 0.522 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001043226417 778004261 /nfs/dbraw/zinc/00/42/61/778004261.db2.gz VWEDUNZJXOQQPC-CYBMUJFWSA-N 1 2 348.447 0.880 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001043226417 778004272 /nfs/dbraw/zinc/00/42/72/778004272.db2.gz VWEDUNZJXOQQPC-CYBMUJFWSA-N 1 2 348.447 0.880 20 30 ECEDLO CC(C)C#CC(=O)NC[C@H]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)O1 ZINC001068569500 790596105 /nfs/dbraw/zinc/59/61/05/790596105.db2.gz VZNHBEQUQLDHEV-OAHLLOKOSA-N 1 2 344.415 0.419 20 30 ECEDLO CC(C)C#CC(=O)NC[C@@H]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)O1 ZINC001068570660 790598753 /nfs/dbraw/zinc/59/87/53/790598753.db2.gz AYGTZCICEOPRKP-AWEZNQCLSA-N 1 2 344.415 0.488 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001043525572 778467843 /nfs/dbraw/zinc/46/78/43/778467843.db2.gz PUNJPSKPBVQSBO-UHFFFAOYSA-N 1 2 334.420 0.634 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001043525572 778467845 /nfs/dbraw/zinc/46/78/45/778467845.db2.gz PUNJPSKPBVQSBO-UHFFFAOYSA-N 1 2 334.420 0.634 20 30 ECEDLO C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001043619717 778605658 /nfs/dbraw/zinc/60/56/58/778605658.db2.gz OBMZKESWDCDGBJ-ZDUSSCGKSA-N 1 2 332.404 0.101 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C=C(CC)CC)C1 ZINC001043650234 778667328 /nfs/dbraw/zinc/66/73/28/778667328.db2.gz SLBAOVDXXIWZQP-INIZCTEOSA-N 1 2 347.459 0.520 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C=C(CC)CC)C1 ZINC001043650234 778667333 /nfs/dbraw/zinc/66/73/33/778667333.db2.gz SLBAOVDXXIWZQP-INIZCTEOSA-N 1 2 347.459 0.520 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NCC1(NC(=O)C#CC2CC2)CCOCC1 ZINC001070111827 790642594 /nfs/dbraw/zinc/64/25/94/790642594.db2.gz BOVHUKHCALJBKU-UHFFFAOYSA-N 1 2 344.415 0.158 20 30 ECEDLO C=CCC1(C(=O)NCC2(O)CN(C(=O)Cc3c[nH+]c[nH]3)C2)CCCC1 ZINC001043824036 778917074 /nfs/dbraw/zinc/91/70/74/778917074.db2.gz LAYDSVUFUZDXGM-UHFFFAOYSA-N 1 2 346.431 0.778 20 30 ECEDLO C#CCCCC(=O)N1CC2(C1)CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)O2 ZINC001068612947 790709822 /nfs/dbraw/zinc/70/98/22/790709822.db2.gz OEFDEYRCKLVWLF-CQSZACIVSA-N 1 2 344.415 0.632 20 30 ECEDLO C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C12CCC2 ZINC001078749146 780429291 /nfs/dbraw/zinc/42/92/91/780429291.db2.gz JNLKKZVZYJEHBK-QWHCGFSZSA-N 1 2 342.403 0.274 20 30 ECEDLO Cc1noc(CCC[NH+]2CC(N(C)C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001042637211 780571276 /nfs/dbraw/zinc/57/12/76/780571276.db2.gz CGVFJDMPQRQXTP-UHFFFAOYSA-N 1 2 328.376 0.967 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001078960610 780655113 /nfs/dbraw/zinc/65/51/13/780655113.db2.gz XTWOIWNEENIXSK-CVEARBPZSA-N 1 2 346.431 0.761 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001079093155 780757784 /nfs/dbraw/zinc/75/77/84/780757784.db2.gz OVQNDIPRSBBQNC-INIZCTEOSA-N 1 2 346.431 0.832 20 30 ECEDLO CC#CCCCC(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001079546929 781254205 /nfs/dbraw/zinc/25/42/05/781254205.db2.gz CTGFAPLMJRNEBI-INIZCTEOSA-N 1 2 335.448 0.570 20 30 ECEDLO CC#CCCCC(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001079546929 781254208 /nfs/dbraw/zinc/25/42/08/781254208.db2.gz CTGFAPLMJRNEBI-INIZCTEOSA-N 1 2 335.448 0.570 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001079547460 781255294 /nfs/dbraw/zinc/25/52/94/781255294.db2.gz WNMSXOZRMNJKGE-HOCLYGCPSA-N 1 2 337.464 0.979 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001079547460 781255297 /nfs/dbraw/zinc/25/52/97/781255297.db2.gz WNMSXOZRMNJKGE-HOCLYGCPSA-N 1 2 337.464 0.979 20 30 ECEDLO C=CCOCCCC(=O)N(CC)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001079553572 781258876 /nfs/dbraw/zinc/25/88/76/781258876.db2.gz ZVMMQIYQDVNCDY-UHFFFAOYSA-N 1 2 334.420 0.925 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001043077473 781284766 /nfs/dbraw/zinc/28/47/66/781284766.db2.gz OTAZHIYQQWUCIT-CQSZACIVSA-N 1 2 346.431 0.880 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001043081534 781291758 /nfs/dbraw/zinc/29/17/58/781291758.db2.gz BCHWKIKYTVNRGR-CYBMUJFWSA-N 1 2 334.420 0.736 20 30 ECEDLO N#Cc1c(F)cccc1N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001041370405 781373053 /nfs/dbraw/zinc/37/30/53/781373053.db2.gz YQJLNHYGRSITJR-UKRRQHHQSA-N 1 2 329.335 0.329 20 30 ECEDLO N#Cc1ccc(NC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CCCO2)nn1 ZINC001041504165 781648197 /nfs/dbraw/zinc/64/81/97/781648197.db2.gz BVVQAUPABXPYJZ-AWEZNQCLSA-N 1 2 341.375 0.274 20 30 ECEDLO Cc1ccnn1CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077760997 781656847 /nfs/dbraw/zinc/65/68/47/781656847.db2.gz GWHZOWJQAJVWEM-QZTJIDSGSA-N 1 2 338.411 0.405 20 30 ECEDLO Cc1ccnn1CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077760997 781656853 /nfs/dbraw/zinc/65/68/53/781656853.db2.gz GWHZOWJQAJVWEM-QZTJIDSGSA-N 1 2 338.411 0.405 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(Cl)nn(C)c2Cl)C1 ZINC001077820842 781756402 /nfs/dbraw/zinc/75/64/02/781756402.db2.gz MZDYMIGFJHLDCK-RKDXNWHRSA-N 1 2 331.203 0.525 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(Cl)nn(C)c2Cl)C1 ZINC001077820842 781756408 /nfs/dbraw/zinc/75/64/08/781756408.db2.gz MZDYMIGFJHLDCK-RKDXNWHRSA-N 1 2 331.203 0.525 20 30 ECEDLO N#Cc1nccc(N[C@@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C23CCC3)n1 ZINC001041596735 781819848 /nfs/dbraw/zinc/81/98/48/781819848.db2.gz COBXFDSYQNJYMN-NEPJUHHUSA-N 1 2 337.387 0.575 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040697102 783288724 /nfs/dbraw/zinc/28/87/24/783288724.db2.gz PEJDAAQUZDHMQN-QGZVFWFLSA-N 1 2 334.420 0.634 20 30 ECEDLO C[C@H](c1nnnn1C)[NH+]1CCC2(CCN(C(=O)C#CC3CC3)C2)CC1 ZINC001040697677 783291161 /nfs/dbraw/zinc/29/11/61/783291161.db2.gz XMOIRTRFXLFEOV-CQSZACIVSA-N 1 2 342.447 0.999 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1CCNC1=O ZINC001039923197 783299302 /nfs/dbraw/zinc/29/93/02/783299302.db2.gz OZSGPOHBFBKFLI-JKJDWNRSSA-N 1 2 333.432 0.531 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1CCNC1=O ZINC001039923197 783299314 /nfs/dbraw/zinc/29/93/14/783299314.db2.gz OZSGPOHBFBKFLI-JKJDWNRSSA-N 1 2 333.432 0.531 20 30 ECEDLO C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001040732137 783344334 /nfs/dbraw/zinc/34/43/34/783344334.db2.gz FHFJDUMSQYXMRM-HBUWYVDXSA-N 1 2 346.431 0.949 20 30 ECEDLO C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001040732137 783344346 /nfs/dbraw/zinc/34/43/46/783344346.db2.gz FHFJDUMSQYXMRM-HBUWYVDXSA-N 1 2 346.431 0.949 20 30 ECEDLO C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001039987004 783358997 /nfs/dbraw/zinc/35/89/97/783358997.db2.gz JSWRFCNVXYSVIG-GOSISDBHSA-N 1 2 348.447 0.789 20 30 ECEDLO CC(C)(C)C#CC(=O)NCC1(NC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001070219618 783684080 /nfs/dbraw/zinc/68/40/80/783684080.db2.gz YXMVNUNBEHUKKP-UHFFFAOYSA-N 1 2 346.431 0.783 20 30 ECEDLO CC#CCCCC(=O)NCC1(NC(=O)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001070278665 783784562 /nfs/dbraw/zinc/78/45/62/783784562.db2.gz OWFQSYXVVFOTQZ-UHFFFAOYSA-N 1 2 346.431 0.927 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)c2cnccc2C)C1=O ZINC001038135849 783901525 /nfs/dbraw/zinc/90/15/25/783901525.db2.gz DXSMIGFTCCFWLJ-GDBMZVCRSA-N 1 2 328.416 0.981 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)c2cnccc2C)C1=O ZINC001038135849 783901530 /nfs/dbraw/zinc/90/15/30/783901530.db2.gz DXSMIGFTCCFWLJ-GDBMZVCRSA-N 1 2 328.416 0.981 20 30 ECEDLO CC(C)N1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001038146270 783916601 /nfs/dbraw/zinc/91/66/01/783916601.db2.gz QPKQNAGIOVGOJL-HIFRSBDPSA-N 1 2 329.404 0.700 20 30 ECEDLO CC(C)N1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001038146270 783916603 /nfs/dbraw/zinc/91/66/03/783916603.db2.gz QPKQNAGIOVGOJL-HIFRSBDPSA-N 1 2 329.404 0.700 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)C1=O ZINC001038173056 783948806 /nfs/dbraw/zinc/94/88/06/783948806.db2.gz MFUUMWCXKBPERD-HIFRSBDPSA-N 1 2 327.388 0.477 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)C1=O ZINC001038173056 783948809 /nfs/dbraw/zinc/94/88/09/783948809.db2.gz MFUUMWCXKBPERD-HIFRSBDPSA-N 1 2 327.388 0.477 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)c2c(C)ccn2C)C1=O ZINC001038189956 783973313 /nfs/dbraw/zinc/97/33/13/783973313.db2.gz IVDPSMOFFCUTKH-CABCVRRESA-N 1 2 330.432 0.925 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)c2c(C)ccn2C)C1=O ZINC001038189956 783973320 /nfs/dbraw/zinc/97/33/20/783973320.db2.gz IVDPSMOFFCUTKH-CABCVRRESA-N 1 2 330.432 0.925 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)c2ccncc2C)C1=O ZINC001038232972 784033656 /nfs/dbraw/zinc/03/36/56/784033656.db2.gz ARXUHWSSOYZITE-GDBMZVCRSA-N 1 2 328.416 0.981 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)c2ccncc2C)C1=O ZINC001038232972 784033660 /nfs/dbraw/zinc/03/36/60/784033660.db2.gz ARXUHWSSOYZITE-GDBMZVCRSA-N 1 2 328.416 0.981 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1cccn1C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070440526 784078362 /nfs/dbraw/zinc/07/83/62/784078362.db2.gz IKHJNKKBPBQGPM-CQSZACIVSA-N 1 2 338.415 0.626 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCO1)C[C@H]2c1nnc(C)[nH]1 ZINC001070441320 784081138 /nfs/dbraw/zinc/08/11/38/784081138.db2.gz SMMJIQQQYDPSLW-UONOGXRCSA-N 1 2 329.404 0.153 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2c[nH]c(C)n2)C1 ZINC001070906691 784091662 /nfs/dbraw/zinc/09/16/62/784091662.db2.gz GUZFWHNSXAXSKV-YUELXQCFSA-N 1 2 345.403 0.624 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2c[nH]c(C)n2)C1 ZINC001070906691 784091668 /nfs/dbraw/zinc/09/16/68/784091668.db2.gz GUZFWHNSXAXSKV-YUELXQCFSA-N 1 2 345.403 0.624 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1ocnc1C)C[C@H]2c1nnc(C)[nH]1 ZINC001070444335 784093084 /nfs/dbraw/zinc/09/30/84/784093084.db2.gz NVIULCULDPOKMK-ZDUSSCGKSA-N 1 2 340.387 0.584 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1ccc(C#N)[nH]1)C[C@H]2c1nnc(C)[nH]1 ZINC001070444988 784096022 /nfs/dbraw/zinc/09/60/22/784096022.db2.gz YVBRHSQPQCHQEP-AWEZNQCLSA-N 1 2 349.398 0.488 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC001070912076 784102159 /nfs/dbraw/zinc/10/21/59/784102159.db2.gz SXKXEGHDQFMUEC-MJBXVCDLSA-N 1 2 337.420 0.439 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC001070912076 784102161 /nfs/dbraw/zinc/10/21/61/784102161.db2.gz SXKXEGHDQFMUEC-MJBXVCDLSA-N 1 2 337.420 0.439 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)Cc1ccco1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070451095 784111967 /nfs/dbraw/zinc/11/19/67/784111967.db2.gz UWXYIOYWRFKVRW-OAHLLOKOSA-N 1 2 339.399 0.810 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2(CF)CC2)C1 ZINC001070919806 784114944 /nfs/dbraw/zinc/11/49/44/784114944.db2.gz VGZINODUJCJAHP-KFWWJZLASA-N 1 2 349.406 0.865 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2(CF)CC2)C1 ZINC001070919806 784114949 /nfs/dbraw/zinc/11/49/49/784114949.db2.gz VGZINODUJCJAHP-KFWWJZLASA-N 1 2 349.406 0.865 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ncccn2)C1 ZINC001070921200 784117001 /nfs/dbraw/zinc/11/70/01/784117001.db2.gz QYHSSVSUHLIWNJ-MJBXVCDLSA-N 1 2 343.387 0.382 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ncccn2)C1 ZINC001070921200 784117007 /nfs/dbraw/zinc/11/70/07/784117007.db2.gz QYHSSVSUHLIWNJ-MJBXVCDLSA-N 1 2 343.387 0.382 20 30 ECEDLO N#CCSCC(=O)N1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001070454898 784121952 /nfs/dbraw/zinc/12/19/52/784121952.db2.gz VRMHOAYTSCUQCH-CYBMUJFWSA-N 1 2 335.433 0.706 20 30 ECEDLO N#CCSCC(=O)N1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001070454898 784121954 /nfs/dbraw/zinc/12/19/54/784121954.db2.gz VRMHOAYTSCUQCH-CYBMUJFWSA-N 1 2 335.433 0.706 20 30 ECEDLO Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2cn(C)cn2)o1 ZINC001070476392 784157968 /nfs/dbraw/zinc/15/79/68/784157968.db2.gz KTOJCBXVUMNGBN-CORIIIEPSA-N 1 2 342.403 0.960 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(CC)n[nH]2)CC1 ZINC001070942172 784177660 /nfs/dbraw/zinc/17/76/60/784177660.db2.gz RJBNEMUAOFHCLN-UHFFFAOYSA-N 1 2 331.420 0.260 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(CC)n[nH]2)CC1 ZINC001070942172 784177668 /nfs/dbraw/zinc/17/76/68/784177668.db2.gz RJBNEMUAOFHCLN-UHFFFAOYSA-N 1 2 331.420 0.260 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001070519437 784222008 /nfs/dbraw/zinc/22/20/08/784222008.db2.gz ZOOOZICXLOOPPT-LSDHHAIUSA-N 1 2 334.420 0.972 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccnn2C(C)C)CC1 ZINC001070968100 784259711 /nfs/dbraw/zinc/25/97/11/784259711.db2.gz OEWKISNUJIZION-UHFFFAOYSA-N 1 2 333.436 0.914 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)c2ccnn2C(C)C)CC1 ZINC001070968100 784259716 /nfs/dbraw/zinc/25/97/16/784259716.db2.gz OEWKISNUJIZION-UHFFFAOYSA-N 1 2 333.436 0.914 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001070968197 784259927 /nfs/dbraw/zinc/25/99/27/784259927.db2.gz SLDWPKVCIHNHIX-UHFFFAOYSA-N 1 2 331.844 0.408 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001070968197 784259932 /nfs/dbraw/zinc/25/99/32/784259932.db2.gz SLDWPKVCIHNHIX-UHFFFAOYSA-N 1 2 331.844 0.408 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCCn3nccc32)CC1 ZINC001070973785 784284031 /nfs/dbraw/zinc/28/40/31/784284031.db2.gz UPYCPUULZKWLOY-HNNXBMFYSA-N 1 2 345.447 0.597 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCCn3nccc32)CC1 ZINC001070973785 784284037 /nfs/dbraw/zinc/28/40/37/784284037.db2.gz UPYCPUULZKWLOY-HNNXBMFYSA-N 1 2 345.447 0.597 20 30 ECEDLO C=CCN1CCNC(=O)CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001070974975 784287428 /nfs/dbraw/zinc/28/74/28/784287428.db2.gz AIRFJFNCPLJFLL-HNNXBMFYSA-N 1 2 345.447 0.282 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2cncnc2)CC1 ZINC001070979967 784306643 /nfs/dbraw/zinc/30/66/43/784306643.db2.gz ICPXOOVKHSIHFB-UHFFFAOYSA-N 1 2 331.420 0.246 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCc2cncnc2)CC1 ZINC001070979967 784306652 /nfs/dbraw/zinc/30/66/52/784306652.db2.gz ICPXOOVKHSIHFB-UHFFFAOYSA-N 1 2 331.420 0.246 20 30 ECEDLO C=CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001070580076 784321020 /nfs/dbraw/zinc/32/10/20/784321020.db2.gz HHWXAURELAEZLS-STQMWFEESA-N 1 2 334.424 0.074 20 30 ECEDLO C=CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001070580076 784321025 /nfs/dbraw/zinc/32/10/25/784321025.db2.gz HHWXAURELAEZLS-STQMWFEESA-N 1 2 334.424 0.074 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)c2c(C)c(C)n[nH]c2=O)CC1 ZINC001070985741 784326023 /nfs/dbraw/zinc/32/60/23/784326023.db2.gz UWGGPKUCQPMRDJ-UHFFFAOYSA-N 1 2 347.419 0.249 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)c2c(C)c(C)n[nH]c2=O)CC1 ZINC001070985741 784326031 /nfs/dbraw/zinc/32/60/31/784326031.db2.gz UWGGPKUCQPMRDJ-UHFFFAOYSA-N 1 2 347.419 0.249 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)COc2cnn(C)c2)CC1 ZINC001070992524 784345855 /nfs/dbraw/zinc/34/58/55/784345855.db2.gz MIANUXJCTFPDLA-UHFFFAOYSA-N 1 2 349.435 0.026 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)COc2cnn(C)c2)CC1 ZINC001070992524 784345859 /nfs/dbraw/zinc/34/58/59/784345859.db2.gz MIANUXJCTFPDLA-UHFFFAOYSA-N 1 2 349.435 0.026 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ncccc2F)CC1 ZINC001071010698 784403632 /nfs/dbraw/zinc/40/36/32/784403632.db2.gz UPCWRGRJKXCSBB-UHFFFAOYSA-N 1 2 332.379 0.508 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ncccc2F)CC1 ZINC001071010698 784403638 /nfs/dbraw/zinc/40/36/38/784403638.db2.gz UPCWRGRJKXCSBB-UHFFFAOYSA-N 1 2 332.379 0.508 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)Cc2cnn(C)c2)CC1 ZINC001071011950 784408325 /nfs/dbraw/zinc/40/83/25/784408325.db2.gz ZHDWRTUWNBVJNM-OAHLLOKOSA-N 1 2 347.463 0.435 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)Cc2cnn(C)c2)CC1 ZINC001071011950 784408332 /nfs/dbraw/zinc/40/83/32/784408332.db2.gz ZHDWRTUWNBVJNM-OAHLLOKOSA-N 1 2 347.463 0.435 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001071016626 784426192 /nfs/dbraw/zinc/42/61/92/784426192.db2.gz PZRUUBNIAIPNAZ-CYBMUJFWSA-N 1 2 334.420 0.997 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cnn3c2CCC3)C[C@H]1NCC#N ZINC001070654528 784503947 /nfs/dbraw/zinc/50/39/47/784503947.db2.gz VEPUGYMARVAEMJ-ZIAGYGMSSA-N 1 2 339.403 0.284 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070690873 784559423 /nfs/dbraw/zinc/55/94/23/784559423.db2.gz RHNWOOWAENAIPN-KQTLUZQSSA-N 1 2 329.404 0.419 20 30 ECEDLO Cc1nc(C)c(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)[nH]1 ZINC001070690998 784559542 /nfs/dbraw/zinc/55/95/42/784559542.db2.gz ZJCMXXFNTNBHER-CHWSQXEVSA-N 1 2 327.392 0.481 20 30 ECEDLO C=C(C)C[N@H+]1CC[C@]2(C1)CN(C(=O)CS(C)(=O)=O)C[C@@H](C)O2 ZINC001071144638 784597326 /nfs/dbraw/zinc/59/73/26/784597326.db2.gz RJPGRWVCHWTKKW-HIFRSBDPSA-N 1 2 330.450 0.299 20 30 ECEDLO C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CS(C)(=O)=O)C[C@@H](C)O2 ZINC001071144638 784597329 /nfs/dbraw/zinc/59/73/29/784597329.db2.gz RJPGRWVCHWTKKW-HIFRSBDPSA-N 1 2 330.450 0.299 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001070799108 784696910 /nfs/dbraw/zinc/69/69/10/784696910.db2.gz MISARIIRRDMZNU-HUUCEWRRSA-N 1 2 346.431 0.735 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001070799108 784696915 /nfs/dbraw/zinc/69/69/15/784696915.db2.gz MISARIIRRDMZNU-HUUCEWRRSA-N 1 2 346.431 0.735 20 30 ECEDLO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(=O)c(OC)co1)C[C@H](C)O2 ZINC001071192697 784704674 /nfs/dbraw/zinc/70/46/74/784704674.db2.gz PXXJYJGJQJUHDP-UGSOOPFHSA-N 1 2 346.383 0.587 20 30 ECEDLO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(=O)c(OC)co1)C[C@H](C)O2 ZINC001071192697 784704678 /nfs/dbraw/zinc/70/46/78/784704678.db2.gz PXXJYJGJQJUHDP-UGSOOPFHSA-N 1 2 346.383 0.587 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@]2(CCN(CC#N)C2)O1 ZINC001071194213 784709028 /nfs/dbraw/zinc/70/90/28/784709028.db2.gz DYJNVSDKZYKBMW-PBHICJAKSA-N 1 2 331.420 0.568 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3nc(C)c[nH]3)C2)C(=O)C1 ZINC001071275449 784915534 /nfs/dbraw/zinc/91/55/34/784915534.db2.gz GRVQJDJGVKXVBN-OAHLLOKOSA-N 1 2 343.431 0.490 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3nc(C)c[nH]3)C2)C(=O)C1 ZINC001071275449 784915539 /nfs/dbraw/zinc/91/55/39/784915539.db2.gz GRVQJDJGVKXVBN-OAHLLOKOSA-N 1 2 343.431 0.490 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC[C@@H]1C ZINC001071660237 785468490 /nfs/dbraw/zinc/46/84/90/785468490.db2.gz SBFKXLAUDDQCRK-RYUDHWBXSA-N 1 2 340.811 0.671 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC[C@@H]1C ZINC001071660237 785468497 /nfs/dbraw/zinc/46/84/97/785468497.db2.gz SBFKXLAUDDQCRK-RYUDHWBXSA-N 1 2 340.811 0.671 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC001071994183 785493368 /nfs/dbraw/zinc/49/33/68/785493368.db2.gz AHCPVDPNPDSISH-KBPBESRZSA-N 1 2 332.404 0.345 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001072035410 785558161 /nfs/dbraw/zinc/55/81/61/785558161.db2.gz LJDVGWNHBACNSG-LSDHHAIUSA-N 1 2 330.432 0.975 20 30 ECEDLO C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001072059937 785596261 /nfs/dbraw/zinc/59/62/61/785596261.db2.gz JDVIGDYBFDSCHS-UKRRQHHQSA-N 1 2 330.432 0.975 20 30 ECEDLO C[C@H]1CC[C@@H](NC(=O)c2nnn(C)n2)C[N@@H+]1Cc1ccccc1C#N ZINC001071744329 785625906 /nfs/dbraw/zinc/62/59/06/785625906.db2.gz KQIHVVVDNKEQIX-SWLSCSKDSA-N 1 2 339.403 0.865 20 30 ECEDLO C[C@H]1CC[C@@H](NC(=O)c2nnn(C)n2)C[N@H+]1Cc1ccccc1C#N ZINC001071744329 785625911 /nfs/dbraw/zinc/62/59/11/785625911.db2.gz KQIHVVVDNKEQIX-SWLSCSKDSA-N 1 2 339.403 0.865 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001072317519 786030683 /nfs/dbraw/zinc/03/06/83/786030683.db2.gz QHIGAUQGYMACRL-UKRRQHHQSA-N 1 2 332.404 0.345 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001072317519 786030685 /nfs/dbraw/zinc/03/06/85/786030685.db2.gz QHIGAUQGYMACRL-UKRRQHHQSA-N 1 2 332.404 0.345 20 30 ECEDLO C=CCCOCC(=O)N[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001072453274 786207339 /nfs/dbraw/zinc/20/73/39/786207339.db2.gz INBCHZHOTCPCNY-CABCVRRESA-N 1 2 334.420 0.829 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001072484588 786260141 /nfs/dbraw/zinc/26/01/41/786260141.db2.gz PYERFWDYSOWGFY-IUODEOHRSA-N 1 2 332.404 0.264 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001072512788 786307047 /nfs/dbraw/zinc/30/70/47/786307047.db2.gz JKFTZKPCNAQBII-HOCLYGCPSA-N 1 2 346.431 0.356 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1nnnn1C1CC1)C2 ZINC001072553045 786357741 /nfs/dbraw/zinc/35/77/41/786357741.db2.gz VTUYALRXJRISTO-VXGBXAGGSA-N 1 2 329.408 0.763 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1nnnn1C1CC1)C2 ZINC001072553045 786357747 /nfs/dbraw/zinc/35/77/47/786357747.db2.gz VTUYALRXJRISTO-VXGBXAGGSA-N 1 2 329.408 0.763 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn4c(n3)CCC4)C[C@H]21 ZINC001074244625 786497844 /nfs/dbraw/zinc/49/78/44/786497844.db2.gz ISZQQXQFZGKFOJ-CVEARBPZSA-N 1 2 328.416 0.768 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn4c(n3)CCC4)C[C@H]21 ZINC001074244625 786497847 /nfs/dbraw/zinc/49/78/47/786497847.db2.gz ISZQQXQFZGKFOJ-CVEARBPZSA-N 1 2 328.416 0.768 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccn4nnnc34)C[C@@H]21 ZINC001074251724 786520156 /nfs/dbraw/zinc/52/01/56/786520156.db2.gz BQUROIWBNDSGLT-GJZGRUSLSA-N 1 2 342.403 0.616 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3cccn4nnnc34)C[C@@H]21 ZINC001074251724 786520159 /nfs/dbraw/zinc/52/01/59/786520159.db2.gz BQUROIWBNDSGLT-GJZGRUSLSA-N 1 2 342.403 0.616 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3cn(C)nc3C)C[C@H]21 ZINC001074266885 786546757 /nfs/dbraw/zinc/54/67/57/786546757.db2.gz SQYPVBNCQUWPMJ-IAGOWNOFSA-N 1 2 330.432 0.596 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3cn(C)nc3C)C[C@H]21 ZINC001074266885 786546762 /nfs/dbraw/zinc/54/67/62/786546762.db2.gz SQYPVBNCQUWPMJ-IAGOWNOFSA-N 1 2 330.432 0.596 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnc4n[nH]cc4c3)C[C@@H]21 ZINC001074276466 786569604 /nfs/dbraw/zinc/56/96/04/786569604.db2.gz NLBPYDRBUCHEMG-JKSUJKDBSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnc4n[nH]cc4c3)C[C@@H]21 ZINC001074276466 786569611 /nfs/dbraw/zinc/56/96/11/786569611.db2.gz NLBPYDRBUCHEMG-JKSUJKDBSA-N 1 2 339.399 0.897 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccnc4n[nH]nc43)C[C@H]21 ZINC001074291893 786609549 /nfs/dbraw/zinc/60/95/49/786609549.db2.gz MOGXBCVYFBDUBS-KGLIPLIRSA-N 1 2 342.403 0.844 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccnc4n[nH]nc43)C[C@H]21 ZINC001074291893 786609556 /nfs/dbraw/zinc/60/95/56/786609556.db2.gz MOGXBCVYFBDUBS-KGLIPLIRSA-N 1 2 342.403 0.844 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3nc(C)cc3C)C[C@H]21 ZINC001074292535 786611150 /nfs/dbraw/zinc/61/11/50/786611150.db2.gz XBTMPHPIIFMWFE-SJORKVTESA-N 1 2 330.432 0.825 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3nc(C)cc3C)C[C@H]21 ZINC001074292535 786611157 /nfs/dbraw/zinc/61/11/57/786611157.db2.gz XBTMPHPIIFMWFE-SJORKVTESA-N 1 2 330.432 0.825 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3cncnc3)C[C@@H]21 ZINC001074296754 786621456 /nfs/dbraw/zinc/62/14/56/786621456.db2.gz ILNSSYBURLIYRV-DLBZAZTESA-N 1 2 328.416 0.734 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3cncnc3)C[C@@H]21 ZINC001074296754 786621459 /nfs/dbraw/zinc/62/14/59/786621459.db2.gz ILNSSYBURLIYRV-DLBZAZTESA-N 1 2 328.416 0.734 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnn4cccnc34)C[C@@H]21 ZINC001074311775 786651214 /nfs/dbraw/zinc/65/12/14/786651214.db2.gz CEWTYRGUEIXVNZ-HOTGVXAUSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnn4cccnc34)C[C@@H]21 ZINC001074311775 786651219 /nfs/dbraw/zinc/65/12/19/786651219.db2.gz CEWTYRGUEIXVNZ-HOTGVXAUSA-N 1 2 339.399 0.668 20 30 ECEDLO Cn1ccc(C[N@@H+]2CCCO[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001073577340 786662682 /nfs/dbraw/zinc/66/26/82/786662682.db2.gz YROMFUJOAJLMNT-MRXNPFEDSA-N 1 2 342.403 0.641 20 30 ECEDLO Cn1ccc(C[N@H+]2CCCO[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001073577340 786662687 /nfs/dbraw/zinc/66/26/87/786662687.db2.gz YROMFUJOAJLMNT-MRXNPFEDSA-N 1 2 342.403 0.641 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2COCCN2C)C1 ZINC001073578631 786666368 /nfs/dbraw/zinc/66/63/68/786666368.db2.gz RPSVYIGYMLVUCB-ZIAGYGMSSA-N 1 2 331.844 0.277 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2COCCN2C)C1 ZINC001073578631 786666374 /nfs/dbraw/zinc/66/63/74/786666374.db2.gz RPSVYIGYMLVUCB-ZIAGYGMSSA-N 1 2 331.844 0.277 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3ncccc3OC)C[C@H]21 ZINC001074322661 786673400 /nfs/dbraw/zinc/67/34/00/786673400.db2.gz XOXXFRHHRIMGEO-AEFFLSMTSA-N 1 2 343.427 0.958 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3ncccc3OC)C[C@H]21 ZINC001074322661 786673409 /nfs/dbraw/zinc/67/34/09/786673409.db2.gz XOXXFRHHRIMGEO-AEFFLSMTSA-N 1 2 343.427 0.958 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@@H]21 ZINC001074368141 786772658 /nfs/dbraw/zinc/77/26/58/786772658.db2.gz AOUNITXBTWMPSH-LSDHHAIUSA-N 1 2 332.404 0.605 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@@H]21 ZINC001074368141 786772665 /nfs/dbraw/zinc/77/26/65/786772665.db2.gz AOUNITXBTWMPSH-LSDHHAIUSA-N 1 2 332.404 0.605 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCn3cnccc3=O)C[C@@H]21 ZINC001074371949 786783997 /nfs/dbraw/zinc/78/39/97/786783997.db2.gz ORAOMFNEIQCPPX-JKSUJKDBSA-N 1 2 346.431 0.511 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCn3cnccc3=O)C[C@@H]21 ZINC001074371949 786784001 /nfs/dbraw/zinc/78/40/01/786784001.db2.gz ORAOMFNEIQCPPX-JKSUJKDBSA-N 1 2 346.431 0.511 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnn(CCOC)c3)C[C@H]21 ZINC001074395500 786844262 /nfs/dbraw/zinc/84/42/62/786844262.db2.gz SPSGQMHQSARMMV-IAGOWNOFSA-N 1 2 346.431 0.468 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnn(CCOC)c3)C[C@H]21 ZINC001074395500 786844274 /nfs/dbraw/zinc/84/42/74/786844274.db2.gz SPSGQMHQSARMMV-IAGOWNOFSA-N 1 2 346.431 0.468 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C[C@H]21 ZINC001074401115 786859158 /nfs/dbraw/zinc/85/91/58/786859158.db2.gz YPPATIBNPRHSEN-HUUCEWRRSA-N 1 2 332.404 0.272 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C[C@H]21 ZINC001074401115 786859162 /nfs/dbraw/zinc/85/91/62/786859162.db2.gz YPPATIBNPRHSEN-HUUCEWRRSA-N 1 2 332.404 0.272 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1NC(=O)CSCC#N ZINC001073744623 787107322 /nfs/dbraw/zinc/10/73/22/787107322.db2.gz ONLVYSLEEMWLIG-STQMWFEESA-N 1 2 349.460 0.952 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NCC1(O)CCN(C(=O)C#CC(C)C)CC1 ZINC001074579747 787310877 /nfs/dbraw/zinc/31/08/77/787310877.db2.gz SXJCWTPBGITDAP-UHFFFAOYSA-N 1 2 346.431 0.390 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001073880754 787425887 /nfs/dbraw/zinc/42/58/87/787425887.db2.gz RVPZMYGUHBRRKM-GFCCVEGCSA-N 1 2 340.811 0.354 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001073880754 787425892 /nfs/dbraw/zinc/42/58/92/787425892.db2.gz RVPZMYGUHBRRKM-GFCCVEGCSA-N 1 2 340.811 0.354 20 30 ECEDLO C=CCCC(=O)NCC1(O)CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001074668505 787544779 /nfs/dbraw/zinc/54/47/79/787544779.db2.gz DXHVPGZUIIUKTJ-UHFFFAOYSA-N 1 2 348.447 0.789 20 30 ECEDLO CC(C)C#CC(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001073940285 787553194 /nfs/dbraw/zinc/55/31/94/787553194.db2.gz CSEAZNFFESIPKY-ZBFHGGJFSA-N 1 2 330.432 0.975 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001073960088 787586296 /nfs/dbraw/zinc/58/62/96/787586296.db2.gz KSBTUAPHFROQHS-CABCVRRESA-N 1 2 332.404 0.276 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCC(O)(CNC(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001074723843 787697402 /nfs/dbraw/zinc/69/74/02/787697402.db2.gz MLQIDCQZMLEONC-UHFFFAOYSA-N 1 2 346.431 0.778 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001074024542 787708152 /nfs/dbraw/zinc/70/81/52/787708152.db2.gz FPRXSINBJRBBOL-ZBFHGGJFSA-N 1 2 346.431 0.735 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001074024542 787708156 /nfs/dbraw/zinc/70/81/56/787708156.db2.gz FPRXSINBJRBBOL-ZBFHGGJFSA-N 1 2 346.431 0.735 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](C)C1 ZINC001074107082 787889796 /nfs/dbraw/zinc/88/97/96/787889796.db2.gz LTTGSWLXMAWEMM-LSDHHAIUSA-N 1 2 348.447 0.909 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001074991321 788679561 /nfs/dbraw/zinc/67/95/61/788679561.db2.gz SOEYFOYENDLXSI-CVEARBPZSA-N 1 2 346.431 0.809 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC001074991350 788679667 /nfs/dbraw/zinc/67/96/67/788679667.db2.gz SUJRGRIMMQWGMT-GJZGRUSLSA-N 1 2 346.431 0.878 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC001074991350 788679676 /nfs/dbraw/zinc/67/96/76/788679676.db2.gz SUJRGRIMMQWGMT-GJZGRUSLSA-N 1 2 346.431 0.878 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001075048893 788798633 /nfs/dbraw/zinc/79/86/33/788798633.db2.gz UOHLEGNEEFTILU-LSDHHAIUSA-N 1 2 334.420 0.972 20 30 ECEDLO CC1(NC(=O)Cc2c[nH]c[nH+]2)CCN(C(=O)CSCC#N)CC1 ZINC001072888922 789036677 /nfs/dbraw/zinc/03/66/77/789036677.db2.gz GAWQBFBPFRYKAL-UHFFFAOYSA-N 1 2 335.433 0.706 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1cn(CC)nn1)C2 ZINC001072999736 789255635 /nfs/dbraw/zinc/25/56/35/789255635.db2.gz NQDDMVJCJFHOSH-CVEARBPZSA-N 1 2 345.447 0.923 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1cn(CC)nn1)C2 ZINC001072999736 789255639 /nfs/dbraw/zinc/25/56/39/789255639.db2.gz NQDDMVJCJFHOSH-CVEARBPZSA-N 1 2 345.447 0.923 20 30 ECEDLO C#CCOCCC(=O)N1CCC(C)(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001073027944 789302229 /nfs/dbraw/zinc/30/22/29/789302229.db2.gz WFLBUDMMIWSSHI-UHFFFAOYSA-N 1 2 346.431 0.810 20 30 ECEDLO N#CCN[C@@H]1CCCO[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001075415029 789342936 /nfs/dbraw/zinc/34/29/36/789342936.db2.gz CYXKCPYBHMXQHK-PBHICJAKSA-N 1 2 331.420 0.852 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC([C@H]2OCCC[C@@H]2NCC#N)CC1 ZINC001075416286 789345475 /nfs/dbraw/zinc/34/54/75/789345475.db2.gz WYESIPIVGIDHBL-FUHWJXTLSA-N 1 2 345.447 0.862 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCN(C(=O)CC(N)=O)[C@@H]2C1 ZINC001075632846 789597636 /nfs/dbraw/zinc/59/76/36/789597636.db2.gz QIXHIXVQBOLZQT-SWLSCSKDSA-N 1 2 330.363 0.605 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)CC(N)=O)[C@@H]2C1 ZINC001075632846 789597642 /nfs/dbraw/zinc/59/76/42/789597642.db2.gz QIXHIXVQBOLZQT-SWLSCSKDSA-N 1 2 330.363 0.605 20 30 ECEDLO C[C@@H]1C[C@@H](Nc2ccnc(C#N)n2)CN1C(=O)CCc1[nH+]ccn1C ZINC001069243770 789696795 /nfs/dbraw/zinc/69/67/95/789696795.db2.gz XYSCSBWDOAIXKT-CHWSQXEVSA-N 1 2 339.403 0.538 20 30 ECEDLO N#Cc1nccc(N2CC[C@]3(NC(=O)Cc4[nH]cc[nH+]4)CCC[C@@H]23)n1 ZINC001069271745 789723109 /nfs/dbraw/zinc/72/31/09/789723109.db2.gz WHTPROXNBLBKDV-SJKOYZFVSA-N 1 2 337.387 0.932 20 30 ECEDLO N#Cc1ccc(N2CC[C@]3(NC(=O)Cc4c[nH]c[nH+]4)CCC[C@@H]23)nn1 ZINC001069291825 789735700 /nfs/dbraw/zinc/73/57/00/789735700.db2.gz RWUKIEHLOBLYCM-RHSMWYFYSA-N 1 2 337.387 0.932 20 30 ECEDLO CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1Nc1nccnc1C#N ZINC001069573388 789909639 /nfs/dbraw/zinc/90/96/39/789909639.db2.gz AIANLZBSZPVZCZ-ZDUSSCGKSA-N 1 2 325.376 0.894 20 30 ECEDLO CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1Nc1ccc(C#N)nn1 ZINC001069620039 789935912 /nfs/dbraw/zinc/93/59/12/789935912.db2.gz WBFZDINCJKIPGX-ZDUSSCGKSA-N 1 2 325.376 0.963 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CC(=O)N[C@@H](C)C3)c2C1 ZINC001069866049 790123541 /nfs/dbraw/zinc/12/35/41/790123541.db2.gz VMISFNVHCMFZNT-UONOGXRCSA-N 1 2 345.447 0.806 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CC(=O)N[C@@H](C)C3)c2C1 ZINC001069866049 790123545 /nfs/dbraw/zinc/12/35/45/790123545.db2.gz VMISFNVHCMFZNT-UONOGXRCSA-N 1 2 345.447 0.806 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1cnn2c1C[N@H+](C[C@H](C)OC)CC2 ZINC001069876436 790138586 /nfs/dbraw/zinc/13/85/86/790138586.db2.gz XYLAQXLFXAMJFT-LXZKKBNFSA-N 1 2 348.447 0.941 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1cnn2c1C[N@@H+](C[C@H](C)OC)CC2 ZINC001069876436 790138588 /nfs/dbraw/zinc/13/85/88/790138588.db2.gz XYLAQXLFXAMJFT-LXZKKBNFSA-N 1 2 348.447 0.941 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ncoc2CC)[C@@H](n2ccnn2)C1 ZINC001069904140 790173321 /nfs/dbraw/zinc/17/33/21/790173321.db2.gz JZKUFKFDPGWRJL-OLZOCXBDSA-N 1 2 328.376 0.507 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ncoc2CC)[C@@H](n2ccnn2)C1 ZINC001069904140 790173324 /nfs/dbraw/zinc/17/33/24/790173324.db2.gz JZKUFKFDPGWRJL-OLZOCXBDSA-N 1 2 328.376 0.507 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2ccc(C)o2)[C@@H](n2ccnn2)C1 ZINC001069911190 790180059 /nfs/dbraw/zinc/18/00/59/790180059.db2.gz AELLVFCMAZXYKU-CVEARBPZSA-N 1 2 327.388 0.787 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2ccc(C)o2)[C@@H](n2ccnn2)C1 ZINC001069911190 790180061 /nfs/dbraw/zinc/18/00/61/790180061.db2.gz AELLVFCMAZXYKU-CVEARBPZSA-N 1 2 327.388 0.787 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cn2ccc(C(F)F)n2)[C@@H](n2ccnn2)C1 ZINC001069944266 790221754 /nfs/dbraw/zinc/22/17/54/790221754.db2.gz GITAQJVGRMHGQP-OLZOCXBDSA-N 1 2 349.345 0.087 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cn2ccc(C(F)F)n2)[C@@H](n2ccnn2)C1 ZINC001069944266 790221758 /nfs/dbraw/zinc/22/17/58/790221758.db2.gz GITAQJVGRMHGQP-OLZOCXBDSA-N 1 2 349.345 0.087 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)ncn3C)[C@@H](n2ccnn2)C1 ZINC001069963465 790248133 /nfs/dbraw/zinc/24/81/33/790248133.db2.gz IKXWOUBGNPZLOO-WBVHZDCISA-N 1 2 349.398 0.453 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)ncn3C)[C@@H](n2ccnn2)C1 ZINC001069963465 790248135 /nfs/dbraw/zinc/24/81/35/790248135.db2.gz IKXWOUBGNPZLOO-WBVHZDCISA-N 1 2 349.398 0.453 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ncccc2CC)[C@@H](n2ccnn2)C1 ZINC001069964497 790250090 /nfs/dbraw/zinc/25/00/90/790250090.db2.gz PDEMLWVKJMRZMD-CVEARBPZSA-N 1 2 338.415 0.914 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ncccc2CC)[C@@H](n2ccnn2)C1 ZINC001069964497 790250091 /nfs/dbraw/zinc/25/00/91/790250091.db2.gz PDEMLWVKJMRZMD-CVEARBPZSA-N 1 2 338.415 0.914 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069967140 790254589 /nfs/dbraw/zinc/25/45/89/790254589.db2.gz PHFPFEFFUGRMCS-KGLIPLIRSA-N 1 2 329.408 0.966 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069967140 790254595 /nfs/dbraw/zinc/25/45/95/790254595.db2.gz PHFPFEFFUGRMCS-KGLIPLIRSA-N 1 2 329.408 0.966 20 30 ECEDLO C#CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)CO2 ZINC001068905993 791388389 /nfs/dbraw/zinc/38/83/89/791388389.db2.gz PYJPHJQVXZYLJX-OAHLLOKOSA-N 1 2 344.415 0.632 20 30 ECEDLO C#CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)CO2 ZINC001068905993 791388396 /nfs/dbraw/zinc/38/83/96/791388396.db2.gz PYJPHJQVXZYLJX-OAHLLOKOSA-N 1 2 344.415 0.632 20 30 ECEDLO CC#CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)Cn1cc[nH+]c1)CO2 ZINC001068914750 791408293 /nfs/dbraw/zinc/40/82/93/791408293.db2.gz FBXYRHLOUUNKSW-HNNXBMFYSA-N 1 2 344.415 0.563 20 30 ECEDLO C=CC(C)(C)C(=O)N[C@H]1COC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001068948424 791485547 /nfs/dbraw/zinc/48/55/47/791485547.db2.gz SEXVSKZCKGIQFM-GFCCVEGCSA-N 1 2 332.404 0.651 20 30 ECEDLO CC#CCCCC(=O)N[C@H]1COC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001068971114 791525724 /nfs/dbraw/zinc/52/57/24/791525724.db2.gz ZFXRMFOJZIZJEJ-CQSZACIVSA-N 1 2 344.415 0.632 20 30 ECEDLO CC#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001068971113 791526181 /nfs/dbraw/zinc/52/61/81/791526181.db2.gz ZFXRMFOJZIZJEJ-AWEZNQCLSA-N 1 2 344.415 0.632 20 30 ECEDLO CC#CCCCC(=O)N[C@H]1COC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001068973317 791528947 /nfs/dbraw/zinc/52/89/47/791528947.db2.gz RRAUJHFWFBWLGG-OAHLLOKOSA-N 1 2 344.415 0.563 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1CC2(C1)C[C@H](NC(=O)Cc1[nH]cc[nH+]1)CO2 ZINC001068983388 791548001 /nfs/dbraw/zinc/54/80/01/791548001.db2.gz JJPBUFSKOYACAM-OLZOCXBDSA-N 1 2 348.403 0.029 20 30 ECEDLO N#Cc1nccnc1N1CC[NH+]([C@H]2CCN(C(=O)CC3CC3)C2)CC1 ZINC001066696171 792010478 /nfs/dbraw/zinc/01/04/78/792010478.db2.gz BOOHGYACYMIGTN-HNNXBMFYSA-N 1 2 340.431 0.871 20 30 ECEDLO CC[C@@H](F)C(=O)N1CC[C@H]([NH+]2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001066699803 792025721 /nfs/dbraw/zinc/02/57/21/792025721.db2.gz GFTANFHWXZZCHC-UONOGXRCSA-N 1 2 346.410 0.819 20 30 ECEDLO CC[C@H](F)C(=O)N1CC[C@@H]([NH+]2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001066702496 792032336 /nfs/dbraw/zinc/03/23/36/792032336.db2.gz KETGUHKFBHBVNS-CABCVRRESA-N 1 2 346.410 0.819 20 30 ECEDLO CC1(C(=O)N2CC[C@H]([NH+]3CCN(c4cncc(C#N)n4)CC3)C2)CC1 ZINC001066709869 792035585 /nfs/dbraw/zinc/03/55/85/792035585.db2.gz ZKMMGPWTCOXKPZ-HNNXBMFYSA-N 1 2 340.431 0.871 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1)c1ccnc(C#N)n1 ZINC001067748858 792220814 /nfs/dbraw/zinc/22/08/14/792220814.db2.gz GXXUAERRNFBEDZ-ZIAGYGMSSA-N 1 2 344.419 0.106 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1)c1ccnc(C#N)n1 ZINC001067748858 792220822 /nfs/dbraw/zinc/22/08/22/792220822.db2.gz GXXUAERRNFBEDZ-ZIAGYGMSSA-N 1 2 344.419 0.106 20 30 ECEDLO N#Cc1cncc(N[C@]2(CO)CCCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC001066908191 792347490 /nfs/dbraw/zinc/34/74/90/792347490.db2.gz CELIDPQNTLJOON-MRXNPFEDSA-N 1 2 341.375 0.010 20 30 ECEDLO C[C@H]1CCN(c2cncc(C#N)n2)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067992863 792554785 /nfs/dbraw/zinc/55/47/85/792554785.db2.gz DDLOMLDTVRURKC-SMDDNHRTSA-N 1 2 325.376 0.645 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001068030064 792589150 /nfs/dbraw/zinc/58/91/50/792589150.db2.gz SMZXMCTWRSRGML-KGLIPLIRSA-N 1 2 334.420 0.850 20 30 ECEDLO Cc1cc(C#N)nc(N[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)n1 ZINC001067122854 792721647 /nfs/dbraw/zinc/72/16/47/792721647.db2.gz KSHVFDIWPFRQNP-NHYWBVRUSA-N 1 2 339.403 0.892 20 30 ECEDLO C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1Nc1ccnc(C#N)n1 ZINC001067123140 792721821 /nfs/dbraw/zinc/72/18/21/792721821.db2.gz QQTWEMHMTTXMCE-RYUDHWBXSA-N 1 2 339.403 0.730 20 30 ECEDLO CC1(C)CN(c2ccnc(C#N)n2)C[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001068140019 792735381 /nfs/dbraw/zinc/73/53/81/792735381.db2.gz NJESVSXKQRLGBH-LBPRGKRZSA-N 1 2 325.376 0.645 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N(C)CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001067293446 792948539 /nfs/dbraw/zinc/94/85/39/792948539.db2.gz YNRYWFSYBJQIGB-KRWDZBQOSA-N 1 2 336.436 0.907 20 30 ECEDLO C[C@@H]1C[C@@H](CNc2ccnc(C#N)n2)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001068322735 793043553 /nfs/dbraw/zinc/04/35/53/793043553.db2.gz DKDGAHIHSOINBT-OLZOCXBDSA-N 1 2 339.403 0.775 20 30 ECEDLO C[C@@H]1C[C@H](CNc2cnc(C#N)cn2)CN1C(=O)Cc1c[nH+]cn1C ZINC001068339719 793079861 /nfs/dbraw/zinc/07/98/61/793079861.db2.gz ZBPIGWBXODPLNE-CHWSQXEVSA-N 1 2 339.403 0.973 20 30 ECEDLO C[C@H]1CN(c2cncc(C#N)n2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067403092 793104537 /nfs/dbraw/zinc/10/45/37/793104537.db2.gz LGMMZYBQHFBQHM-GXTWGEPZSA-N 1 2 325.376 0.576 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC001067407681 793111727 /nfs/dbraw/zinc/11/17/27/793111727.db2.gz JXGRIDYLKVEJHH-WCQYABFASA-N 1 2 339.403 0.954 20 30 ECEDLO C[C@@H]1C[C@@H](CNc2nccnc2C#N)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001068375742 793151154 /nfs/dbraw/zinc/15/11/54/793151154.db2.gz MBJLYXFHAAKJNY-NEPJUHHUSA-N 1 2 325.376 0.963 20 30 ECEDLO CCCN(C(=O)Cc1cnc(C)o1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267542199 837729499 /nfs/dbraw/zinc/72/94/99/837729499.db2.gz QXBBHKUBZXTFGF-CQSZACIVSA-N 1 2 347.419 0.478 20 30 ECEDLO CCCN(C(=O)Cc1cnc(C)o1)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267542199 837729503 /nfs/dbraw/zinc/72/95/03/837729503.db2.gz QXBBHKUBZXTFGF-CQSZACIVSA-N 1 2 347.419 0.478 20 30 ECEDLO CC#CCCCC(=O)N(C)CCN1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001267574323 837819301 /nfs/dbraw/zinc/81/93/01/837819301.db2.gz CKHDSTVXKSFXQO-KRWDZBQOSA-N 1 2 348.491 0.487 20 30 ECEDLO CC#CCCCC(=O)N(C)CC[NH+]1CCN([C@H]2CCN(C)C2=O)CC1 ZINC001267574323 837819305 /nfs/dbraw/zinc/81/93/05/837819305.db2.gz CKHDSTVXKSFXQO-KRWDZBQOSA-N 1 2 348.491 0.487 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N(C)CC[NH+]1CCN(CC(=O)NCC)CC1 ZINC001267574667 837822992 /nfs/dbraw/zinc/82/29/92/837822992.db2.gz PCCDKINHIQOTPM-GOSISDBHSA-N 1 2 338.496 0.801 20 30 ECEDLO C=CCN1CC[NH+](CCN(C)C(=O)[C@H]2CC(=O)N(CCC)C2)CC1 ZINC001267576338 837830602 /nfs/dbraw/zinc/83/06/02/837830602.db2.gz WFHRQZJKFZZWBS-INIZCTEOSA-N 1 2 336.480 0.507 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2nnnn2C)C1 ZINC001267577932 837833278 /nfs/dbraw/zinc/83/32/78/837833278.db2.gz GNDPFYNLTVVIMN-KBPBESRZSA-N 1 2 336.440 0.472 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2nnnn2C)C1 ZINC001267577932 837833287 /nfs/dbraw/zinc/83/32/87/837833287.db2.gz GNDPFYNLTVVIMN-KBPBESRZSA-N 1 2 336.440 0.472 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cc(N(C)C)ccn2)C1 ZINC001266252681 835557465 /nfs/dbraw/zinc/55/74/65/835557465.db2.gz YIEIHKSIIIUWLM-CQSZACIVSA-N 1 2 345.447 0.644 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(N(C)C)ccn2)C1 ZINC001266252681 835557466 /nfs/dbraw/zinc/55/74/66/835557466.db2.gz YIEIHKSIIIUWLM-CQSZACIVSA-N 1 2 345.447 0.644 20 30 ECEDLO C[C@H]1CN(C(=O)C[N@H+](C)CCNC(=O)C#CC(C)(C)C)C[C@H](C)O1 ZINC001266272908 835595243 /nfs/dbraw/zinc/59/52/43/835595243.db2.gz GFDZZYVPLRZFTJ-GJZGRUSLSA-N 1 2 337.464 0.720 20 30 ECEDLO C[C@H]1CN(C(=O)C[N@@H+](C)CCNC(=O)C#CC(C)(C)C)C[C@H](C)O1 ZINC001266272908 835595246 /nfs/dbraw/zinc/59/52/46/835595246.db2.gz GFDZZYVPLRZFTJ-GJZGRUSLSA-N 1 2 337.464 0.720 20 30 ECEDLO CC#CC[NH+]1CCN(CCCNC(=O)c2cc3ncccn3n2)CC1 ZINC001266275512 835599676 /nfs/dbraw/zinc/59/96/76/835599676.db2.gz BIIZEWCMPKVMKC-UHFFFAOYSA-N 1 2 340.431 0.490 20 30 ECEDLO COCC#CCN1CC[NH+](CCNC(=O)Cc2ccncc2C)CC1 ZINC001266285548 835620034 /nfs/dbraw/zinc/62/00/34/835620034.db2.gz DFLQYPVEYIKCCE-UHFFFAOYSA-N 1 2 344.459 0.316 20 30 ECEDLO C=CC(C)(C)CC(=O)NCC[NH+]1CCN([C@H](C)c2nnnn2C)CC1 ZINC001266285478 835620303 /nfs/dbraw/zinc/62/03/03/835620303.db2.gz AIKFTJDNPZMRBN-CQSZACIVSA-N 1 2 349.483 0.607 20 30 ECEDLO CC#CCN1CC[NH+](CCNC(=O)c2cccc3ncn(C)c32)CC1 ZINC001266287975 835630690 /nfs/dbraw/zinc/63/06/90/835630690.db2.gz MUTFOPGAAAOLQI-UHFFFAOYSA-N 1 2 339.443 0.944 20 30 ECEDLO N#CCN1CC[NH+](CCNC(=O)[C@H]2CCc3ccccc3O2)CC1 ZINC001266294542 835640564 /nfs/dbraw/zinc/64/05/64/835640564.db2.gz BSLQHLDARARNDA-QGZVFWFLSA-N 1 2 328.416 0.638 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(CCNC(=O)[C@@H](C)C(C)C)CC1 ZINC001266294700 835640949 /nfs/dbraw/zinc/64/09/49/835640949.db2.gz HWFLSMLVQDSGHF-JKSUJKDBSA-N 1 2 338.496 0.703 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)cn2)C1 ZINC001266313379 835681214 /nfs/dbraw/zinc/68/12/14/835681214.db2.gz ABNUIXANPFZTDH-AWEZNQCLSA-N 1 2 333.436 0.649 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C)cn2)C1 ZINC001266313379 835681216 /nfs/dbraw/zinc/68/12/16/835681216.db2.gz ABNUIXANPFZTDH-AWEZNQCLSA-N 1 2 333.436 0.649 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1csc(-c2ccco2)n1 ZINC001266314330 835682148 /nfs/dbraw/zinc/68/21/48/835682148.db2.gz WKMLPSAXOGCEIG-UHFFFAOYSA-N 1 2 346.412 0.814 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1csc(-c2ccco2)n1 ZINC001266314330 835682151 /nfs/dbraw/zinc/68/21/51/835682151.db2.gz WKMLPSAXOGCEIG-UHFFFAOYSA-N 1 2 346.412 0.814 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccnn2C(C)C)C1 ZINC001266321699 835695451 /nfs/dbraw/zinc/69/54/51/835695451.db2.gz USOMTRTWIKDXRF-KGLIPLIRSA-N 1 2 331.420 0.406 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2ccnn2C(C)C)C1 ZINC001266321699 835695457 /nfs/dbraw/zinc/69/54/57/835695457.db2.gz USOMTRTWIKDXRF-KGLIPLIRSA-N 1 2 331.420 0.406 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc3nc[nH]c3n2)C1 ZINC001266324728 835701239 /nfs/dbraw/zinc/70/12/39/835701239.db2.gz BOCLNIVSEXOKKT-NSHDSACASA-N 1 2 328.376 0.064 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc3nc[nH]c3n2)C1 ZINC001266324728 835701242 /nfs/dbraw/zinc/70/12/42/835701242.db2.gz BOCLNIVSEXOKKT-NSHDSACASA-N 1 2 328.376 0.064 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1cn(CC)nc1C(C)C ZINC001266330020 835710400 /nfs/dbraw/zinc/71/04/00/835710400.db2.gz QILABWFQJUXNPL-UHFFFAOYSA-N 1 2 333.436 0.437 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1cn(CC)nc1C(C)C ZINC001266330020 835710406 /nfs/dbraw/zinc/71/04/06/835710406.db2.gz QILABWFQJUXNPL-UHFFFAOYSA-N 1 2 333.436 0.437 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cn(CCC)nn2)C1 ZINC001266350392 835746861 /nfs/dbraw/zinc/74/68/61/835746861.db2.gz SPKJTIRFYRLBMH-STQMWFEESA-N 1 2 334.424 0.183 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cn(CCC)nn2)C1 ZINC001266350392 835746868 /nfs/dbraw/zinc/74/68/68/835746868.db2.gz SPKJTIRFYRLBMH-STQMWFEESA-N 1 2 334.424 0.183 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(CC)c2C2CC2)C1 ZINC001266352543 835752154 /nfs/dbraw/zinc/75/21/54/835752154.db2.gz CWFIAWUPXVVDTA-CQSZACIVSA-N 1 2 345.447 0.887 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC)c2C2CC2)C1 ZINC001266352543 835752163 /nfs/dbraw/zinc/75/21/63/835752163.db2.gz CWFIAWUPXVVDTA-CQSZACIVSA-N 1 2 345.447 0.887 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(N(C)C)c(F)c2)C1 ZINC001266361140 835771051 /nfs/dbraw/zinc/77/10/51/835771051.db2.gz IDYLEAHORIGRJS-AWEZNQCLSA-N 1 2 346.406 0.445 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(N(C)C)c(F)c2)C1 ZINC001266361140 835771059 /nfs/dbraw/zinc/77/10/59/835771059.db2.gz IDYLEAHORIGRJS-AWEZNQCLSA-N 1 2 346.406 0.445 20 30 ECEDLO CC(C)Oc1ncccc1C(=O)NCC[N@H+](C)CC(=O)NCC#N ZINC001266368412 835781244 /nfs/dbraw/zinc/78/12/44/835781244.db2.gz UABRIGHDQBDHHV-UHFFFAOYSA-N 1 2 333.392 0.170 20 30 ECEDLO CC(C)Oc1ncccc1C(=O)NCC[N@@H+](C)CC(=O)NCC#N ZINC001266368412 835781252 /nfs/dbraw/zinc/78/12/52/835781252.db2.gz UABRIGHDQBDHHV-UHFFFAOYSA-N 1 2 333.392 0.170 20 30 ECEDLO CCCN(C(=O)c1ncc[nH]1)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC001266386776 835796298 /nfs/dbraw/zinc/79/62/98/835796298.db2.gz QVHMXCYMWRUKJE-UHFFFAOYSA-N 1 2 332.408 0.366 20 30 ECEDLO C=CCC(CC=C)C(=O)NC[C@H]1CCC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001266465568 835867009 /nfs/dbraw/zinc/86/70/09/835867009.db2.gz XTSZVPRPMOZGII-CQSZACIVSA-N 1 2 333.436 0.957 20 30 ECEDLO C=CCC(CC=C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001266465568 835867015 /nfs/dbraw/zinc/86/70/15/835867015.db2.gz XTSZVPRPMOZGII-CQSZACIVSA-N 1 2 333.436 0.957 20 30 ECEDLO C[C@H](CC(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCC#N)c1ccncc1 ZINC001266468463 835869527 /nfs/dbraw/zinc/86/95/27/835869527.db2.gz QRAGLYSVQIJZMM-ZBFHGGJFSA-N 1 2 343.431 0.796 20 30 ECEDLO C[C@H](CC(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCC#N)c1ccncc1 ZINC001266468463 835869532 /nfs/dbraw/zinc/86/95/32/835869532.db2.gz QRAGLYSVQIJZMM-ZBFHGGJFSA-N 1 2 343.431 0.796 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C1(CC)CC1 ZINC001266479872 835881206 /nfs/dbraw/zinc/88/12/06/835881206.db2.gz FJOSXLJOQDUIJD-ZDUSSCGKSA-N 1 2 336.436 0.769 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C1(CC)CC1 ZINC001266479872 835881213 /nfs/dbraw/zinc/88/12/13/835881213.db2.gz FJOSXLJOQDUIJD-ZDUSSCGKSA-N 1 2 336.436 0.769 20 30 ECEDLO Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NCC#N)c(F)c1 ZINC001266482792 835882283 /nfs/dbraw/zinc/88/22/83/835882283.db2.gz IMXUPDONHPSCPM-ZDUSSCGKSA-N 1 2 332.379 0.968 20 30 ECEDLO Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NCC#N)c(F)c1 ZINC001266482792 835882290 /nfs/dbraw/zinc/88/22/90/835882290.db2.gz IMXUPDONHPSCPM-ZDUSSCGKSA-N 1 2 332.379 0.968 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccnc(C2CC2)n1 ZINC001266483036 835882663 /nfs/dbraw/zinc/88/26/63/835882663.db2.gz MTHVFXSGZXKKDY-AWEZNQCLSA-N 1 2 341.415 0.298 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1ccnc(C2CC2)n1 ZINC001266483036 835882665 /nfs/dbraw/zinc/88/26/65/835882665.db2.gz MTHVFXSGZXKKDY-AWEZNQCLSA-N 1 2 341.415 0.298 20 30 ECEDLO Cn1nc(C2CC2)nc1C[N@@H+]1CC[C@H](CNC(=O)CSCC#N)C1 ZINC001266500343 835900280 /nfs/dbraw/zinc/90/02/80/835900280.db2.gz QYGBLVRLWROQRR-GFCCVEGCSA-N 1 2 348.476 0.887 20 30 ECEDLO Cn1nc(C2CC2)nc1C[N@H+]1CC[C@H](CNC(=O)CSCC#N)C1 ZINC001266500343 835900291 /nfs/dbraw/zinc/90/02/91/835900291.db2.gz QYGBLVRLWROQRR-GFCCVEGCSA-N 1 2 348.476 0.887 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1CC[N@@H+](Cc2ncnn2CCC)C1 ZINC001266512085 835920498 /nfs/dbraw/zinc/92/04/98/835920498.db2.gz XLEBTGKLQGTMCD-YOEHRIQHSA-N 1 2 335.452 0.953 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1CC[N@H+](Cc2ncnn2CCC)C1 ZINC001266512085 835920508 /nfs/dbraw/zinc/92/05/08/835920508.db2.gz XLEBTGKLQGTMCD-YOEHRIQHSA-N 1 2 335.452 0.953 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H]1CC[N@@H+](Cc2nc(N(C)C)no2)C1 ZINC001266514030 835924883 /nfs/dbraw/zinc/92/48/83/835924883.db2.gz KOBZPBXMEGKDTQ-ZDUSSCGKSA-N 1 2 335.408 0.114 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H]1CC[N@H+](Cc2nc(N(C)C)no2)C1 ZINC001266514030 835924890 /nfs/dbraw/zinc/92/48/90/835924890.db2.gz KOBZPBXMEGKDTQ-ZDUSSCGKSA-N 1 2 335.408 0.114 20 30 ECEDLO CC(C)C#CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC001266842537 836368400 /nfs/dbraw/zinc/36/84/00/836368400.db2.gz PWNUPBSYUVYAPW-HNNXBMFYSA-N 1 2 348.447 0.605 20 30 ECEDLO CC(C)C#CC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC001266842537 836368412 /nfs/dbraw/zinc/36/84/12/836368412.db2.gz PWNUPBSYUVYAPW-HNNXBMFYSA-N 1 2 348.447 0.605 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N(C)CC[NH2+]Cc1nncs1 ZINC001266854574 836388290 /nfs/dbraw/zinc/38/82/90/836388290.db2.gz URASGVAXDQVDCN-LBPRGKRZSA-N 1 2 325.438 0.557 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@@H](C)[NH2+]Cc1csc(NC(C)=O)n1 ZINC001266938479 836496708 /nfs/dbraw/zinc/49/67/08/836496708.db2.gz YFOUYEZLOATKNN-MNOVXSKESA-N 1 2 338.433 0.734 20 30 ECEDLO C=CCNC(=O)C[NH2+]CCN(C)C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC001266945232 836506340 /nfs/dbraw/zinc/50/63/40/836506340.db2.gz BSDOWWNFPJGFEE-UHFFFAOYSA-N 1 2 342.403 0.436 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1scnc1C(F)F ZINC001267206844 836988665 /nfs/dbraw/zinc/98/86/65/836988665.db2.gz RQJSNRDOBHWXNR-UHFFFAOYSA-N 1 2 330.360 0.492 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1scnc1C(F)F ZINC001267206844 836988669 /nfs/dbraw/zinc/98/86/69/836988669.db2.gz RQJSNRDOBHWXNR-UHFFFAOYSA-N 1 2 330.360 0.492 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1cnc2ccsc2c1 ZINC001267210674 836998326 /nfs/dbraw/zinc/99/83/26/836998326.db2.gz KWAVIPGTZIXJBP-UHFFFAOYSA-N 1 2 330.413 0.707 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1cnc2ccsc2c1 ZINC001267210674 836998332 /nfs/dbraw/zinc/99/83/32/836998332.db2.gz KWAVIPGTZIXJBP-UHFFFAOYSA-N 1 2 330.413 0.707 20 30 ECEDLO C[N@H+](CCNC(=O)c1ccc(N2CC=CC2)cc1)CC(=O)NCC#N ZINC001267215599 837006278 /nfs/dbraw/zinc/00/62/78/837006278.db2.gz MJHCBYWOXGEKPQ-UHFFFAOYSA-N 1 2 341.415 0.364 20 30 ECEDLO C[N@@H+](CCNC(=O)c1ccc(N2CC=CC2)cc1)CC(=O)NCC#N ZINC001267215599 837006289 /nfs/dbraw/zinc/00/62/89/837006289.db2.gz MJHCBYWOXGEKPQ-UHFFFAOYSA-N 1 2 341.415 0.364 20 30 ECEDLO C=CCOCC(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC001267263512 837097088 /nfs/dbraw/zinc/09/70/88/837097088.db2.gz KFHARGIOOMJSCY-CQSZACIVSA-N 1 2 345.403 0.306 20 30 ECEDLO C=CCOCC(=O)NC[C@H]1CCC[N@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC001267263512 837097092 /nfs/dbraw/zinc/09/70/92/837097092.db2.gz KFHARGIOOMJSCY-CQSZACIVSA-N 1 2 345.403 0.306 20 30 ECEDLO C#CCOCCC(=O)NC[C@H]1CCC[N@H+]1Cc1cc(=O)c(OC)co1 ZINC001267266726 837103107 /nfs/dbraw/zinc/10/31/07/837103107.db2.gz HQPSWEWUESGELB-CQSZACIVSA-N 1 2 348.399 0.769 20 30 ECEDLO C#CCOCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(=O)c(OC)co1 ZINC001267266726 837103111 /nfs/dbraw/zinc/10/31/11/837103111.db2.gz HQPSWEWUESGELB-CQSZACIVSA-N 1 2 348.399 0.769 20 30 ECEDLO Cc1ccc(CC(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NCC#N)cn1 ZINC001267283284 837132352 /nfs/dbraw/zinc/13/23/52/837132352.db2.gz VJJFAGJYXNNHNM-HNNXBMFYSA-N 1 2 329.404 0.153 20 30 ECEDLO Cc1ccc(CC(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NCC#N)cn1 ZINC001267283284 837132358 /nfs/dbraw/zinc/13/23/58/837132358.db2.gz VJJFAGJYXNNHNM-HNNXBMFYSA-N 1 2 329.404 0.153 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[N@H+](Cc1cc2n(n1)CCC2)C1CC1 ZINC001267326216 837202941 /nfs/dbraw/zinc/20/29/41/837202941.db2.gz RPCDRIXIJCBDRI-AWEZNQCLSA-N 1 2 330.432 0.948 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[N@@H+](Cc1cc2n(n1)CCC2)C1CC1 ZINC001267326216 837202944 /nfs/dbraw/zinc/20/29/44/837202944.db2.gz RPCDRIXIJCBDRI-AWEZNQCLSA-N 1 2 330.432 0.948 20 30 ECEDLO COCC#CCN1CC[NH+](CCN(C)C(=O)[C@H](OC)C2CC2)CC1 ZINC001267607887 837952508 /nfs/dbraw/zinc/95/25/08/837952508.db2.gz YVDWYTSLKBKULA-QGZVFWFLSA-N 1 2 337.464 0.137 20 30 ECEDLO COCC#CC[NH+]1CCN(CCN(C)C(=O)[C@H](OC)C2CC2)CC1 ZINC001267607887 837952509 /nfs/dbraw/zinc/95/25/09/837952509.db2.gz YVDWYTSLKBKULA-QGZVFWFLSA-N 1 2 337.464 0.137 20 30 ECEDLO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CSCC#N)C1)C1CC1 ZINC001267611279 837972196 /nfs/dbraw/zinc/97/21/96/837972196.db2.gz NAAMPVZAGISEPU-GXTWGEPZSA-N 1 2 338.477 0.738 20 30 ECEDLO C[C@H](NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CSCC#N)C1)C1CC1 ZINC001267611279 837972201 /nfs/dbraw/zinc/97/22/01/837972201.db2.gz NAAMPVZAGISEPU-GXTWGEPZSA-N 1 2 338.477 0.738 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)c2ccnn2CC)C1 ZINC001267624631 838069719 /nfs/dbraw/zinc/06/97/19/838069719.db2.gz IGWPQRZYTPCMJR-KBPBESRZSA-N 1 2 331.420 0.235 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2ccnn2CC)C1 ZINC001267624631 838069731 /nfs/dbraw/zinc/06/97/31/838069731.db2.gz IGWPQRZYTPCMJR-KBPBESRZSA-N 1 2 331.420 0.235 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCc2ccccc2)C1 ZINC001267634131 838100864 /nfs/dbraw/zinc/10/08/64/838100864.db2.gz GYCWXMGVTPZZQG-INIZCTEOSA-N 1 2 328.416 0.840 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCc2ccccc2)C1 ZINC001267634131 838100869 /nfs/dbraw/zinc/10/08/69/838100869.db2.gz GYCWXMGVTPZZQG-INIZCTEOSA-N 1 2 328.416 0.840 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H](C)SC)C1 ZINC001267673668 838219938 /nfs/dbraw/zinc/21/99/38/838219938.db2.gz FNRVTVFRTFZUHG-WDEREUQCSA-N 1 2 342.465 0.186 20 30 ECEDLO CC(C)C#CC(=O)NCC1C[NH+](CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001267680636 838239483 /nfs/dbraw/zinc/23/94/83/838239483.db2.gz SDFJPNDGJMRIIG-AWEZNQCLSA-N 1 2 326.462 0.519 20 30 ECEDLO CC#CCCCC(=O)NCC1C[NH+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC001267689401 838258344 /nfs/dbraw/zinc/25/83/44/838258344.db2.gz JQHMZRKLMNMLOM-OAHLLOKOSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)Cc2cccc(F)c2F)C1 ZINC001267693574 838278511 /nfs/dbraw/zinc/27/85/11/838278511.db2.gz KEMDUPYXCCPUQS-LBPRGKRZSA-N 1 2 349.381 0.693 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2cn3nccc3nc2C)C1 ZINC001267694588 838281300 /nfs/dbraw/zinc/28/13/00/838281300.db2.gz DJSXCNSBNJLBOF-UHFFFAOYSA-N 1 2 342.403 0.002 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2cn(C(C)C)nc2C)C1 ZINC001267695712 838283177 /nfs/dbraw/zinc/28/31/77/838283177.db2.gz FPKYZKKKDIGUSI-CQSZACIVSA-N 1 2 345.447 0.572 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@H](F)Cc2ccccc2)C1 ZINC001267699449 838294702 /nfs/dbraw/zinc/29/47/02/838294702.db2.gz SVJNAQDRTFCIAC-MRXNPFEDSA-N 1 2 333.407 0.917 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cnccc1C ZINC001267708255 838315957 /nfs/dbraw/zinc/31/59/57/838315957.db2.gz FQSQQPYDLLVJHZ-XIRDDKMYSA-N 1 2 342.443 0.908 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cnccc1C ZINC001267708255 838315967 /nfs/dbraw/zinc/31/59/67/838315967.db2.gz FQSQQPYDLLVJHZ-XIRDDKMYSA-N 1 2 342.443 0.908 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](CC)OC2CCCC2)C1 ZINC001267731197 838418514 /nfs/dbraw/zinc/41/85/14/838418514.db2.gz SQXLJINPPHVTDJ-GOEBONIOSA-N 1 2 335.448 0.664 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)OC2CCCC2)C1 ZINC001267731197 838418517 /nfs/dbraw/zinc/41/85/17/838418517.db2.gz SQXLJINPPHVTDJ-GOEBONIOSA-N 1 2 335.448 0.664 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[C@@H](C)OC)C1 ZINC001267740343 838440132 /nfs/dbraw/zinc/44/01/32/838440132.db2.gz BULGFKBXHBNKOI-CHWSQXEVSA-N 1 2 340.424 0.004 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[C@@H](C)OC)C1 ZINC001267740343 838440135 /nfs/dbraw/zinc/44/01/35/838440135.db2.gz BULGFKBXHBNKOI-CHWSQXEVSA-N 1 2 340.424 0.004 20 30 ECEDLO CC(C)(C)C#CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC001267741080 838442071 /nfs/dbraw/zinc/44/20/71/838442071.db2.gz HZFUQONMPMPRLO-OAHLLOKOSA-N 1 2 335.448 0.522 20 30 ECEDLO CC(C)(C)C#CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CCOCC2)C1 ZINC001267741080 838442078 /nfs/dbraw/zinc/44/20/78/838442078.db2.gz HZFUQONMPMPRLO-OAHLLOKOSA-N 1 2 335.448 0.522 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2)C1 ZINC001267745541 838450341 /nfs/dbraw/zinc/45/03/41/838450341.db2.gz VEMWQZHIGBUEIS-DZGCQCFKSA-N 1 2 344.415 0.506 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2)C1 ZINC001267745541 838450344 /nfs/dbraw/zinc/45/03/44/838450344.db2.gz VEMWQZHIGBUEIS-DZGCQCFKSA-N 1 2 344.415 0.506 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2COc3ccccc32)C1 ZINC001267753565 838475976 /nfs/dbraw/zinc/47/59/76/838475976.db2.gz GQHSBEVFBRFECJ-HIFRSBDPSA-N 1 2 329.400 0.655 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2COc3ccccc32)C1 ZINC001267753565 838475980 /nfs/dbraw/zinc/47/59/80/838475980.db2.gz GQHSBEVFBRFECJ-HIFRSBDPSA-N 1 2 329.400 0.655 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c(C)nn3cccnc23)C1 ZINC001267753649 838476035 /nfs/dbraw/zinc/47/60/35/838476035.db2.gz AZVVHLZUZPXRSG-CYBMUJFWSA-N 1 2 342.403 0.144 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c(C)nn3cccnc23)C1 ZINC001267753649 838476038 /nfs/dbraw/zinc/47/60/38/838476038.db2.gz AZVVHLZUZPXRSG-CYBMUJFWSA-N 1 2 342.403 0.144 20 30 ECEDLO Cc1ccccc1C1(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)CC1 ZINC001267753626 838476220 /nfs/dbraw/zinc/47/62/20/838476220.db2.gz JJMQJRREJASYLG-OAHLLOKOSA-N 1 2 340.427 0.857 20 30 ECEDLO Cc1ccccc1C1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)CC1 ZINC001267753626 838476225 /nfs/dbraw/zinc/47/62/25/838476225.db2.gz JJMQJRREJASYLG-OAHLLOKOSA-N 1 2 340.427 0.857 20 30 ECEDLO COc1ccccc1CC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267777723 838544856 /nfs/dbraw/zinc/54/48/56/838544856.db2.gz QZLFMXKXHXUWDQ-OAHLLOKOSA-N 1 2 344.415 0.410 20 30 ECEDLO COc1ccccc1CC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267777723 838544857 /nfs/dbraw/zinc/54/48/57/838544857.db2.gz QZLFMXKXHXUWDQ-OAHLLOKOSA-N 1 2 344.415 0.410 20 30 ECEDLO C#CCOCCC(=O)N(CC)[C@H]1CC[N@H+](Cc2cnnn2CC)C1 ZINC001267786576 838566263 /nfs/dbraw/zinc/56/62/63/838566263.db2.gz NWPCQWOBMFUDJC-HNNXBMFYSA-N 1 2 333.436 0.761 20 30 ECEDLO C#CCOCCC(=O)N(CC)[C@H]1CC[N@@H+](Cc2cnnn2CC)C1 ZINC001267786576 838566266 /nfs/dbraw/zinc/56/62/66/838566266.db2.gz NWPCQWOBMFUDJC-HNNXBMFYSA-N 1 2 333.436 0.761 20 30 ECEDLO Cn1nnnc1C[NH+]1CCC(CCNC(=O)CSCC#N)CC1 ZINC001267941114 838824695 /nfs/dbraw/zinc/82/46/95/838824695.db2.gz OSDHLXDZBANPNZ-UHFFFAOYSA-N 1 2 337.453 0.185 20 30 ECEDLO C#CCNC(=O)CN1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001267942075 838827491 /nfs/dbraw/zinc/82/74/91/838827491.db2.gz ABHYNQYSPWXDIV-CQSZACIVSA-N 1 2 339.399 0.507 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001267942075 838827507 /nfs/dbraw/zinc/82/75/07/838827507.db2.gz ABHYNQYSPWXDIV-CQSZACIVSA-N 1 2 339.399 0.507 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001267942075 838827519 /nfs/dbraw/zinc/82/75/19/838827519.db2.gz ABHYNQYSPWXDIV-CQSZACIVSA-N 1 2 339.399 0.507 20 30 ECEDLO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)c2nc3ncc(C)cn3n2)C1 ZINC001267942206 838828260 /nfs/dbraw/zinc/82/82/60/838828260.db2.gz CSZOHHRCYAKKIR-CQSZACIVSA-N 1 2 342.403 0.277 20 30 ECEDLO COCC#CC[N@H+]1CCC[C@@H](NC(=O)c2nc3ncc(C)cn3n2)C1 ZINC001267942206 838828271 /nfs/dbraw/zinc/82/82/71/838828271.db2.gz CSZOHHRCYAKKIR-CQSZACIVSA-N 1 2 342.403 0.277 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CCC2(CC[N@@H+](Cc3nnnn3C)C2)CC1 ZINC001267973644 838906142 /nfs/dbraw/zinc/90/61/42/838906142.db2.gz WAZPUVIEJXRHRR-INIZCTEOSA-N 1 2 348.451 0.352 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CCC2(CC[N@H+](Cc3nnnn3C)C2)CC1 ZINC001267973644 838906150 /nfs/dbraw/zinc/90/61/50/838906150.db2.gz WAZPUVIEJXRHRR-INIZCTEOSA-N 1 2 348.451 0.352 20 30 ECEDLO Cn1cc[nH+]c1CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000057625376 214437735 /nfs/dbraw/zinc/43/77/35/214437735.db2.gz QWQYJXVLCIKKEQ-UHFFFAOYSA-N 1 2 345.428 0.798 20 30 ECEDLO N#Cc1ncn(CC(=O)NCc2[nH+]ccn2CCc2ccccc2)n1 ZINC000426887384 210169039 /nfs/dbraw/zinc/16/90/39/210169039.db2.gz VRVPSRLDEQFLSY-UHFFFAOYSA-N 1 2 335.371 0.905 20 30 ECEDLO Cc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1C#N ZINC000187545445 236242021 /nfs/dbraw/zinc/24/20/21/236242021.db2.gz MDJTWCSPPZCTRQ-CYBMUJFWSA-N 1 2 330.388 0.330 20 30 ECEDLO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000329266023 283331842 /nfs/dbraw/zinc/33/18/42/283331842.db2.gz HGKQVSLNOPKFSF-QWHCGFSZSA-N 1 2 345.465 0.463 20 30 ECEDLO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000329266023 283331847 /nfs/dbraw/zinc/33/18/47/283331847.db2.gz HGKQVSLNOPKFSF-QWHCGFSZSA-N 1 2 345.465 0.463 20 30 ECEDLO N#Cc1cc(F)ccc1S(=O)(=O)NCCC[NH+]1CCOCC1 ZINC000130238103 223135453 /nfs/dbraw/zinc/13/54/53/223135453.db2.gz KHRJXAFJUUYRCK-UHFFFAOYSA-N 1 2 327.381 0.698 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(C3CCCC3)n2)C1 ZINC001077918970 781942486 /nfs/dbraw/zinc/94/24/86/781942486.db2.gz MQJSJVXDSRKVGT-HZPDHXFCSA-N 1 2 328.416 0.932 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(C3CCCC3)n2)C1 ZINC001077918970 781942492 /nfs/dbraw/zinc/94/24/92/781942492.db2.gz MQJSJVXDSRKVGT-HZPDHXFCSA-N 1 2 328.416 0.932 20 30 ECEDLO Cc1cccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c1C#N ZINC000246085932 243191407 /nfs/dbraw/zinc/19/14/07/243191407.db2.gz IIMIGIMWAHSJEI-KBPBESRZSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1C#N ZINC000246085932 243191412 /nfs/dbraw/zinc/19/14/12/243191412.db2.gz IIMIGIMWAHSJEI-KBPBESRZSA-N 1 2 337.445 0.942 20 30 ECEDLO Cn1cc[nH+]c1CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000264134716 246096581 /nfs/dbraw/zinc/09/65/81/246096581.db2.gz IHJHWKQWNLZYGA-UHFFFAOYSA-N 1 2 325.376 0.719 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2sc(C)nc2C)CC1 ZINC000264211884 246190415 /nfs/dbraw/zinc/19/04/15/246190415.db2.gz WDMASWJRWVPPHD-UHFFFAOYSA-N 1 2 334.445 0.657 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2sc(C)nc2C)CC1 ZINC000264211884 246190420 /nfs/dbraw/zinc/19/04/20/246190420.db2.gz WDMASWJRWVPPHD-UHFFFAOYSA-N 1 2 334.445 0.657 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc3[nH]ncc32)CC1 ZINC000264933017 247059042 /nfs/dbraw/zinc/05/90/42/247059042.db2.gz SXJVXVHHFSRRMY-UHFFFAOYSA-N 1 2 339.399 0.460 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc3[nH]ncc32)CC1 ZINC000264933017 247059045 /nfs/dbraw/zinc/05/90/45/247059045.db2.gz SXJVXVHHFSRRMY-UHFFFAOYSA-N 1 2 339.399 0.460 20 30 ECEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OC[C@@H]3CNC(=O)O3)cn2)n1 ZINC000282328023 254554165 /nfs/dbraw/zinc/55/41/65/254554165.db2.gz UUYKYDWGCNNFKC-LBPRGKRZSA-N 1 2 330.348 0.629 20 30 ECEDLO C=CCSCCNC(=O)C(=O)N1CC[NH+](CCOCC)CC1 ZINC000286603115 254565210 /nfs/dbraw/zinc/56/52/10/254565210.db2.gz XFJIRUQIWPQRAZ-UHFFFAOYSA-N 1 2 329.466 0.203 20 30 ECEDLO C=CC[C@H](CO)CNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000341869652 254681514 /nfs/dbraw/zinc/68/15/14/254681514.db2.gz PKSMVBYCDLFYKB-GOEBONIOSA-N 1 2 343.493 0.678 20 30 ECEDLO N#CCCN(CC1CC1)C(=O)c1cnn(CC[NH+]2CCOCC2)c1 ZINC000376766069 254755667 /nfs/dbraw/zinc/75/56/67/254755667.db2.gz VDNWURDSZWQFLA-UHFFFAOYSA-N 1 2 331.420 0.981 20 30 ECEDLO N#Cc1ncn(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000495035382 254993888 /nfs/dbraw/zinc/99/38/88/254993888.db2.gz CEDHGQAKMOJDDB-UHFFFAOYSA-N 1 2 335.371 0.366 20 30 ECEDLO CC(C)(C)OC(=O)NCCOCC[NH+]1CCN(C(=O)CC#N)CC1 ZINC000496259033 255086095 /nfs/dbraw/zinc/08/60/95/255086095.db2.gz XSZDLFJUHZOVQG-UHFFFAOYSA-N 1 2 340.424 0.586 20 30 ECEDLO C[C@@H]1C(NNc2ccc(C(N)=O)n[nH+]2)=CC(=O)N1C(=O)OC(C)(C)C ZINC000496957199 255145236 /nfs/dbraw/zinc/14/52/36/255145236.db2.gz QHAUYQWLVAARBE-MRVPVSSYSA-N 1 2 348.363 0.899 20 30 ECEDLO C=C(C)[C@H](CO)[NH+]1CCN(c2ccccc2S(N)(=O)=O)CC1 ZINC000682372389 549392447 /nfs/dbraw/zinc/39/24/47/549392447.db2.gz TZGSWDOOADDXMH-AWEZNQCLSA-N 1 2 325.434 0.393 20 30 ECEDLO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)ccc1C#N ZINC000262380657 165341682 /nfs/dbraw/zinc/34/16/82/165341682.db2.gz XTQJQWONCGTMPJ-OAHLLOKOSA-N 1 2 345.428 0.935 20 30 ECEDLO COC(=O)CN(CC[NH+]1CCOCC1)c1ccc(Cl)c(C#N)n1 ZINC000271728834 263325800 /nfs/dbraw/zinc/32/58/00/263325800.db2.gz MOIALZHROFQVGV-UHFFFAOYSA-N 1 2 338.795 0.918 20 30 ECEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+]([C@@H]2COC[C@@H]2O)CC1 ZINC000340290431 270005979 /nfs/dbraw/zinc/00/59/79/270005979.db2.gz TUMKOZMGLMSKKT-OLZOCXBDSA-N 1 2 330.344 0.688 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1=O ZINC000341642509 270006081 /nfs/dbraw/zinc/00/60/81/270006081.db2.gz VXFIGQVBUBKTHW-CYBMUJFWSA-N 1 2 326.360 0.541 20 30 ECEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000370652161 270007542 /nfs/dbraw/zinc/00/75/42/270007542.db2.gz MYMKDXUJVLEJIF-UHFFFAOYSA-N 1 2 344.415 0.735 20 30 ECEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000370652161 270007543 /nfs/dbraw/zinc/00/75/43/270007543.db2.gz MYMKDXUJVLEJIF-UHFFFAOYSA-N 1 2 344.415 0.735 20 30 ECEDLO CCN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000349886544 266111193 /nfs/dbraw/zinc/11/11/93/266111193.db2.gz XDKXCNWGYRNEIN-CQSZACIVSA-N 1 2 332.452 0.979 20 30 ECEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cnn(C)c2C#N)CC1 ZINC000356103337 266111384 /nfs/dbraw/zinc/11/13/84/266111384.db2.gz YCMKLEAHHXDMMI-UHFFFAOYSA-N 1 2 346.435 0.308 20 30 ECEDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cnn(C)c2C#N)CC1 ZINC000356103337 266111388 /nfs/dbraw/zinc/11/13/88/266111388.db2.gz YCMKLEAHHXDMMI-UHFFFAOYSA-N 1 2 346.435 0.308 20 30 ECEDLO CCN1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)C[C@H]1c1[nH]cc[nH+]1 ZINC000337010110 266146773 /nfs/dbraw/zinc/14/67/73/266146773.db2.gz LEWAVCMDFINYBM-NEPJUHHUSA-N 1 2 328.380 0.339 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000329542520 267240741 /nfs/dbraw/zinc/24/07/41/267240741.db2.gz NSQAXCRGFGUKLI-LBPRGKRZSA-N 1 2 325.376 0.741 20 30 ECEDLO N#Cc1ccc(SCC(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1 ZINC000362958214 268209733 /nfs/dbraw/zinc/20/97/33/268209733.db2.gz PBVDXIXTDSYELZ-UHFFFAOYSA-N 1 2 332.429 0.670 20 30 ECEDLO N#Cc1ccc(SCC(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1 ZINC000362958214 268209737 /nfs/dbraw/zinc/20/97/37/268209737.db2.gz PBVDXIXTDSYELZ-UHFFFAOYSA-N 1 2 332.429 0.670 20 30 ECEDLO N#Cc1cccc(N2CC[NH+](CC(=O)NC[C@H]3CCCO3)CC2)n1 ZINC000355121701 268261791 /nfs/dbraw/zinc/26/17/91/268261791.db2.gz GYEYITBTILADLL-OAHLLOKOSA-N 1 2 329.404 0.370 20 30 ECEDLO N#Cc1cccc(NC(=O)C[N@H+](CCO)CCN2CCOCC2)c1 ZINC000361947870 268264728 /nfs/dbraw/zinc/26/47/28/268264728.db2.gz VPQMGYAKNGBVEB-UHFFFAOYSA-N 1 2 332.404 0.123 20 30 ECEDLO N#Cc1cccc(NC(=O)C[N@@H+](CCO)CCN2CCOCC2)c1 ZINC000361947870 268264731 /nfs/dbraw/zinc/26/47/31/268264731.db2.gz VPQMGYAKNGBVEB-UHFFFAOYSA-N 1 2 332.404 0.123 20 30 ECEDLO CC(C)C[NH+]1CCN(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000329716553 277399262 /nfs/dbraw/zinc/39/92/62/277399262.db2.gz WPBJBTZXBCQIAL-AWEZNQCLSA-N 1 2 331.482 0.999 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000330811795 280102964 /nfs/dbraw/zinc/10/29/64/280102964.db2.gz DWCJUAFQBXNHCF-YRGRVCCFSA-N 1 2 330.454 0.182 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000330811795 280102967 /nfs/dbraw/zinc/10/29/67/280102967.db2.gz DWCJUAFQBXNHCF-YRGRVCCFSA-N 1 2 330.454 0.182 20 30 ECEDLO CN(C)C(=O)NCCN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000330752670 437606282 /nfs/dbraw/zinc/60/62/82/437606282.db2.gz CPIVHAXCKGLDBZ-CQSZACIVSA-N 1 2 326.441 0.564 20 30 ECEDLO CN(C)C(=O)NCCN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000330752670 437606286 /nfs/dbraw/zinc/60/62/86/437606286.db2.gz CPIVHAXCKGLDBZ-CQSZACIVSA-N 1 2 326.441 0.564 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](CCNS(C)(=O)=O)C1CC1 ZINC000340217142 437608442 /nfs/dbraw/zinc/60/84/42/437608442.db2.gz NWCNGFUMBNFPNW-CQSZACIVSA-N 1 2 330.454 0.054 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](CCNS(C)(=O)=O)C1CC1 ZINC000340217142 437608447 /nfs/dbraw/zinc/60/84/47/437608447.db2.gz NWCNGFUMBNFPNW-CQSZACIVSA-N 1 2 330.454 0.054 20 30 ECEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000343636848 437611605 /nfs/dbraw/zinc/61/16/05/437611605.db2.gz RJZRJNGYUQMPLR-KDOFPFPSSA-N 1 2 347.415 0.525 20 30 ECEDLO CN(C)C(=O)C1(CNC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)CCCC1 ZINC000330772632 437612577 /nfs/dbraw/zinc/61/25/77/437612577.db2.gz WMWLBZCPUVRGLG-AWEZNQCLSA-N 1 2 339.484 0.384 20 30 ECEDLO CN(C)C(=O)C1(CNC(=O)NC[C@H]2CN(C)CC[N@H+]2C)CCCC1 ZINC000330772632 437612581 /nfs/dbraw/zinc/61/25/81/437612581.db2.gz WMWLBZCPUVRGLG-AWEZNQCLSA-N 1 2 339.484 0.384 20 30 ECEDLO C[C@H](CNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)[NH+]1CCOCC1 ZINC000329023843 289394547 /nfs/dbraw/zinc/39/45/47/289394547.db2.gz IWKYWKSYICDMLN-QXSJWSMHSA-N 1 2 341.452 0.483 20 30 ECEDLO C#C[C@@H](C)NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000190262482 437618582 /nfs/dbraw/zinc/61/85/82/437618582.db2.gz LDPBZQPQUGVPBB-CQSZACIVSA-N 1 2 328.416 0.510 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000352602568 298277575 /nfs/dbraw/zinc/27/75/75/298277575.db2.gz BNLGQXSDSSQLEP-MGPQQGTHSA-N 1 2 330.454 0.260 20 30 ECEDLO CCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000071014097 435997819 /nfs/dbraw/zinc/99/78/19/435997819.db2.gz RCFZJQLYMXKDLZ-UKRRQHHQSA-N 1 2 329.466 0.940 20 30 ECEDLO CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000071014097 435997826 /nfs/dbraw/zinc/99/78/26/435997826.db2.gz RCFZJQLYMXKDLZ-UKRRQHHQSA-N 1 2 329.466 0.940 20 30 ECEDLO CC(C)CC[N@@H+](CCC#N)CCNS(=O)(=O)c1cnn(C)c1 ZINC000072692537 436050799 /nfs/dbraw/zinc/05/07/99/436050799.db2.gz SFMDAYBMNVMLIZ-UHFFFAOYSA-N 1 2 327.454 0.960 20 30 ECEDLO CC(C)CC[N@H+](CCC#N)CCNS(=O)(=O)c1cnn(C)c1 ZINC000072692537 436050803 /nfs/dbraw/zinc/05/08/03/436050803.db2.gz SFMDAYBMNVMLIZ-UHFFFAOYSA-N 1 2 327.454 0.960 20 30 ECEDLO C[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000072702205 436051668 /nfs/dbraw/zinc/05/16/68/436051668.db2.gz BXSYTUZCSBKKRN-HUUCEWRRSA-N 1 2 338.429 0.611 20 30 ECEDLO C[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000072702205 436051674 /nfs/dbraw/zinc/05/16/74/436051674.db2.gz BXSYTUZCSBKKRN-HUUCEWRRSA-N 1 2 338.429 0.611 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](CC(=O)NC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000018059529 436102388 /nfs/dbraw/zinc/10/23/88/436102388.db2.gz NKGIWGCQIFWGIF-UHFFFAOYSA-N 1 2 329.360 0.867 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(C(=O)NC3CC3)cn2)CC1 ZINC000073343417 436073926 /nfs/dbraw/zinc/07/39/26/436073926.db2.gz XHDZDHLAUSOJMS-UHFFFAOYSA-N 1 2 343.431 0.398 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000073350368 436075328 /nfs/dbraw/zinc/07/53/28/436075328.db2.gz SYHXXYXXYLOHIA-ZIAGYGMSSA-N 1 2 335.452 0.032 20 30 ECEDLO C[C@H](C(=O)NC1CC1)N1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000073350368 436075333 /nfs/dbraw/zinc/07/53/33/436075333.db2.gz SYHXXYXXYLOHIA-ZIAGYGMSSA-N 1 2 335.452 0.032 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000075698131 436173244 /nfs/dbraw/zinc/17/32/44/436173244.db2.gz CAKFIOSATIGBPV-INIZCTEOSA-N 1 2 338.496 0.895 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000075698131 436173248 /nfs/dbraw/zinc/17/32/48/436173248.db2.gz CAKFIOSATIGBPV-INIZCTEOSA-N 1 2 338.496 0.895 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@@H](C)OC[C@@H]3C)CC2)o1 ZINC000029721029 436206725 /nfs/dbraw/zinc/20/67/25/436206725.db2.gz SCIVMSGKFQCUAR-QWHCGFSZSA-N 1 2 347.419 0.613 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@@H](C)OC[C@@H]3C)CC2)o1 ZINC000029721029 436206729 /nfs/dbraw/zinc/20/67/29/436206729.db2.gz SCIVMSGKFQCUAR-QWHCGFSZSA-N 1 2 347.419 0.613 20 30 ECEDLO C[C@@H](CNS(=O)(=O)c1cccc(C#N)c1)C[NH+]1CCN(C)CC1 ZINC000077616099 436245787 /nfs/dbraw/zinc/24/57/87/436245787.db2.gz GMABKMNHDWVLBL-AWEZNQCLSA-N 1 2 336.461 0.720 20 30 ECEDLO N#Cc1cccnc1N1CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000078312167 436265480 /nfs/dbraw/zinc/26/54/80/436265480.db2.gz GUGVALIKLIKNLJ-UHFFFAOYSA-N 1 2 344.419 0.117 20 30 ECEDLO CCn1nc2c(cc1=O)C[N@@H+](CC(=O)N(CCC#N)CCC#N)CC2 ZINC000078614518 436272415 /nfs/dbraw/zinc/27/24/15/436272415.db2.gz YULDWXPVCRPEJF-UHFFFAOYSA-N 1 2 342.403 0.277 20 30 ECEDLO CCn1nc2c(cc1=O)C[N@H+](CC(=O)N(CCC#N)CCC#N)CC2 ZINC000078614518 436272419 /nfs/dbraw/zinc/27/24/19/436272419.db2.gz YULDWXPVCRPEJF-UHFFFAOYSA-N 1 2 342.403 0.277 20 30 ECEDLO C[C@@H]1CN(C(=O)CN(CCC#N)CC[NH+]2CCOCC2)C[C@@H](C)O1 ZINC000078720404 436276063 /nfs/dbraw/zinc/27/60/63/436276063.db2.gz XSBBNCKCJFZFTB-HZPDHXFCSA-N 1 2 338.452 0.170 20 30 ECEDLO C#CCNC(=O)[C@@H](C)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000044741469 436347079 /nfs/dbraw/zinc/34/70/79/436347079.db2.gz VTBKIZLEHJQPQR-JKSUJKDBSA-N 1 2 334.464 0.143 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000044741469 436347082 /nfs/dbraw/zinc/34/70/82/436347082.db2.gz VTBKIZLEHJQPQR-JKSUJKDBSA-N 1 2 334.464 0.143 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000042570870 436306685 /nfs/dbraw/zinc/30/66/85/436306685.db2.gz MPXTVVCIYKZEHO-CVEARBPZSA-N 1 2 348.491 0.860 20 30 ECEDLO CC(=O)NCCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000045137374 436362525 /nfs/dbraw/zinc/36/25/25/436362525.db2.gz HPCXMCBMLFTZJZ-UHFFFAOYSA-N 1 2 343.431 0.912 20 30 ECEDLO COC(=O)N(C)CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000048563009 436455046 /nfs/dbraw/zinc/45/50/46/436455046.db2.gz GWZKBQLTRPZMDW-UHFFFAOYSA-N 1 2 330.388 0.901 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCNC(=O)[C@@H]2C(C)C)CC1 ZINC000092618601 436473462 /nfs/dbraw/zinc/47/34/62/436473462.db2.gz WMXGJBNRVDKXSX-RDJZCZTQSA-N 1 2 349.479 0.135 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCNC(=O)[C@@H]2C(C)C)CC1 ZINC000092618601 436473464 /nfs/dbraw/zinc/47/34/64/436473464.db2.gz WMXGJBNRVDKXSX-RDJZCZTQSA-N 1 2 349.479 0.135 20 30 ECEDLO CN(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1(C#N)CCC1 ZINC000104319809 436559118 /nfs/dbraw/zinc/55/91/18/436559118.db2.gz QELCQKMEARVABS-AWEZNQCLSA-N 1 2 334.420 0.072 20 30 ECEDLO C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000105740404 436576634 /nfs/dbraw/zinc/57/66/34/436576634.db2.gz AQFGVNWGCVWUOV-OLZOCXBDSA-N 1 2 330.388 0.722 20 30 ECEDLO C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1)[C@H](C)[NH+]1CCOCC1 ZINC000105740304 436576924 /nfs/dbraw/zinc/57/69/24/436576924.db2.gz WPHDZMXCUOWMIO-OLZOCXBDSA-N 1 2 330.388 0.722 20 30 ECEDLO C=CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000112506466 436633087 /nfs/dbraw/zinc/63/30/87/436633087.db2.gz QZCQCNHQZUYAGH-AWEZNQCLSA-N 1 2 346.435 0.767 20 30 ECEDLO C=CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000112506466 436633089 /nfs/dbraw/zinc/63/30/89/436633089.db2.gz QZCQCNHQZUYAGH-AWEZNQCLSA-N 1 2 346.435 0.767 20 30 ECEDLO N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000114123404 436639471 /nfs/dbraw/zinc/63/94/71/436639471.db2.gz LLZWZIVXFRFVPW-UHFFFAOYSA-N 1 2 333.373 0.532 20 30 ECEDLO C[C@@H](NC(=O)C#Cc1ccc2c(c1)OCO2)[C@@H](C)[NH+]1CCOCC1 ZINC000136661823 436651464 /nfs/dbraw/zinc/65/14/64/436651464.db2.gz QPHRZGPGOSSQSZ-ZIAGYGMSSA-N 1 2 330.384 0.992 20 30 ECEDLO C=CCNC(=O)CNc1[nH+]cnc2c1c(Br)nn2C ZINC000272007132 436701512 /nfs/dbraw/zinc/70/15/12/436701512.db2.gz LYYVBDXGLAPOMC-UHFFFAOYSA-N 1 2 325.170 0.840 20 30 ECEDLO C[C@H](C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C)CS(C)(=O)=O ZINC000119969893 436676478 /nfs/dbraw/zinc/67/64/78/436676478.db2.gz NUNHXYIHPKTJJI-OLZOCXBDSA-N 1 2 337.449 0.539 20 30 ECEDLO C[C@H](C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C)CS(C)(=O)=O ZINC000119969893 436676481 /nfs/dbraw/zinc/67/64/81/436676481.db2.gz NUNHXYIHPKTJJI-OLZOCXBDSA-N 1 2 337.449 0.539 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000270761931 436676598 /nfs/dbraw/zinc/67/65/98/436676598.db2.gz YENMWOQRGQSXRX-KGLIPLIRSA-N 1 2 339.436 0.411 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000270761931 436676601 /nfs/dbraw/zinc/67/66/01/436676601.db2.gz YENMWOQRGQSXRX-KGLIPLIRSA-N 1 2 339.436 0.411 20 30 ECEDLO COC(=O)[C@@H]1CC[N@H+](CCC(=O)N(C)CCC#N)[C@@H](C(=O)OC)C1 ZINC000272629125 436720901 /nfs/dbraw/zinc/72/09/01/436720901.db2.gz VYNOYDOHLJUDPP-CHWSQXEVSA-N 1 2 339.392 0.175 20 30 ECEDLO COC(=O)[C@@H]1CC[N@@H+](CCC(=O)N(C)CCC#N)[C@@H](C(=O)OC)C1 ZINC000272629125 436720904 /nfs/dbraw/zinc/72/09/04/436720904.db2.gz VYNOYDOHLJUDPP-CHWSQXEVSA-N 1 2 339.392 0.175 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000272884998 436726681 /nfs/dbraw/zinc/72/66/81/436726681.db2.gz WOHFHFKJAXEZQY-UHFFFAOYSA-N 1 2 326.422 0.548 20 30 ECEDLO C=CCC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000122726972 436737488 /nfs/dbraw/zinc/73/74/88/436737488.db2.gz XCPJQDLSOVAJSQ-AWEZNQCLSA-N 1 2 342.465 0.362 20 30 ECEDLO C[C@@H](CC#N)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000123070422 436738345 /nfs/dbraw/zinc/73/83/45/436738345.db2.gz BDQMJMGVQGSZDI-ZDUSSCGKSA-N 1 2 330.388 0.876 20 30 ECEDLO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1nnnn1-c1ccccc1 ZINC000153344169 436754825 /nfs/dbraw/zinc/75/48/25/436754825.db2.gz XOGABRKPHVHNKG-UHFFFAOYSA-N 1 2 337.391 0.904 20 30 ECEDLO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1nnnn1-c1ccccc1 ZINC000153344169 436754828 /nfs/dbraw/zinc/75/48/28/436754828.db2.gz XOGABRKPHVHNKG-UHFFFAOYSA-N 1 2 337.391 0.904 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(OC)cc2)CC1 ZINC000069072498 436760235 /nfs/dbraw/zinc/76/02/35/436760235.db2.gz IMFIEMVVNDVHHO-UHFFFAOYSA-N 1 2 343.427 0.521 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(OC)cc2)CC1 ZINC000069072498 436760238 /nfs/dbraw/zinc/76/02/38/436760238.db2.gz IMFIEMVVNDVHHO-UHFFFAOYSA-N 1 2 343.427 0.521 20 30 ECEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000248830602 436811062 /nfs/dbraw/zinc/81/10/62/436811062.db2.gz LFNSRTAKZVOBHA-LZWOXQAQSA-N 1 2 332.404 0.916 20 30 ECEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000248830602 436811065 /nfs/dbraw/zinc/81/10/65/436811065.db2.gz LFNSRTAKZVOBHA-LZWOXQAQSA-N 1 2 332.404 0.916 20 30 ECEDLO C[C@H](NS(=O)(=O)c1ccc(F)cc1C#N)[C@H]1C[N@H+](C)CCO1 ZINC000128241713 436813737 /nfs/dbraw/zinc/81/37/37/436813737.db2.gz BTJSYPHKVCBYKP-GXFFZTMASA-N 1 2 327.381 0.695 20 30 ECEDLO C[C@H](NS(=O)(=O)c1ccc(F)cc1C#N)[C@H]1C[N@@H+](C)CCO1 ZINC000128241713 436813741 /nfs/dbraw/zinc/81/37/41/436813741.db2.gz BTJSYPHKVCBYKP-GXFFZTMASA-N 1 2 327.381 0.695 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccsc2C(=O)OC)CC1 ZINC000156779751 436820796 /nfs/dbraw/zinc/82/07/96/436820796.db2.gz PVSQLGXZYWOYLM-UHFFFAOYSA-N 1 2 342.442 0.864 20 30 ECEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(=O)N(CCC#N)CCC#N)[C@H]2C1 ZINC000246456401 436779451 /nfs/dbraw/zinc/77/94/51/436779451.db2.gz JBCHWOUYYPEYJZ-OWCLPIDISA-N 1 2 334.420 0.911 20 30 ECEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@H]2C1 ZINC000246456401 436779454 /nfs/dbraw/zinc/77/94/54/436779454.db2.gz JBCHWOUYYPEYJZ-OWCLPIDISA-N 1 2 334.420 0.911 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)Cc2ccccc2C)CC1 ZINC000155127659 436789516 /nfs/dbraw/zinc/78/95/16/436789516.db2.gz PYFYQAWDWDMCPH-MRXNPFEDSA-N 1 2 327.428 0.820 20 30 ECEDLO CCOC(=O)[C@](C)(O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000274678237 436858130 /nfs/dbraw/zinc/85/81/30/436858130.db2.gz VXDRMEMYXHRAGO-GOSISDBHSA-N 1 2 331.416 0.990 20 30 ECEDLO Cc1c(/C=C/C(=O)N(CCC#N)CC[NH+]2CCOCC2)cnn1C ZINC000161831572 436899337 /nfs/dbraw/zinc/89/93/37/436899337.db2.gz MWAVBUXSPOJTKU-SNAWJCMRSA-N 1 2 331.420 0.816 20 30 ECEDLO CCn1c2ccc(F)cc2[nH+]c1Cn1c(=O)c(C#N)cn(C)c1=O ZINC000134726375 436904158 /nfs/dbraw/zinc/90/41/58/436904158.db2.gz JKOHJWDHQUNVRO-UHFFFAOYSA-N 1 2 327.319 0.976 20 30 ECEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000262133219 436908905 /nfs/dbraw/zinc/90/89/05/436908905.db2.gz YKILEQXJEZASGE-CQSZACIVSA-N 1 2 345.428 0.935 20 30 ECEDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CCOc1ccc(C#N)cc1OC ZINC000275527617 436979014 /nfs/dbraw/zinc/97/90/14/436979014.db2.gz JYEZMFIZEHVIGB-XJKSGUPXSA-N 1 2 334.372 0.944 20 30 ECEDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000275527617 436979018 /nfs/dbraw/zinc/97/90/18/436979018.db2.gz JYEZMFIZEHVIGB-XJKSGUPXSA-N 1 2 334.372 0.944 20 30 ECEDLO C[C@@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)[C@H]1C[N@H+](C)CCO1 ZINC000164873009 436932844 /nfs/dbraw/zinc/93/28/44/436932844.db2.gz WLPUGNFGYFILKL-IAQYHMDHSA-N 1 2 341.408 0.836 20 30 ECEDLO C[C@@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000164873009 436932848 /nfs/dbraw/zinc/93/28/48/436932848.db2.gz WLPUGNFGYFILKL-IAQYHMDHSA-N 1 2 341.408 0.836 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCCN(c3ccn(C)n3)C2=O)C1=O ZINC000281233207 436956058 /nfs/dbraw/zinc/95/60/58/436956058.db2.gz FOESEDNPANPBEE-KBPBESRZSA-N 1 2 331.420 0.634 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(c3ccn(C)n3)C2=O)C1=O ZINC000281233207 436956062 /nfs/dbraw/zinc/95/60/62/436956062.db2.gz FOESEDNPANPBEE-KBPBESRZSA-N 1 2 331.420 0.634 20 30 ECEDLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000275582956 436986628 /nfs/dbraw/zinc/98/66/28/436986628.db2.gz PZPJUVUQCNLWFG-GDBMZVCRSA-N 1 2 331.372 0.885 20 30 ECEDLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000275582956 436986632 /nfs/dbraw/zinc/98/66/32/436986632.db2.gz PZPJUVUQCNLWFG-GDBMZVCRSA-N 1 2 331.372 0.885 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)C(C)C ZINC000281648263 436987012 /nfs/dbraw/zinc/98/70/12/436987012.db2.gz XFBSTYWGLZOTDS-CQSZACIVSA-N 1 2 344.415 0.939 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000298564534 437044046 /nfs/dbraw/zinc/04/40/46/437044046.db2.gz LUCYPNDOZNSZSF-RYUDHWBXSA-N 1 2 331.438 0.143 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000298564534 437044049 /nfs/dbraw/zinc/04/40/49/437044049.db2.gz LUCYPNDOZNSZSF-RYUDHWBXSA-N 1 2 331.438 0.143 20 30 ECEDLO N#CCOc1ccc(CN2CC[NH+]([C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000264547214 437044505 /nfs/dbraw/zinc/04/45/05/437044505.db2.gz KDSOGEYNUYLRRO-INIZCTEOSA-N 1 2 349.456 0.894 20 30 ECEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)CCCCC1 ZINC000284328246 437053423 /nfs/dbraw/zinc/05/34/23/437053423.db2.gz QGAQVSLIPFUJPR-LBPRGKRZSA-N 1 2 333.392 0.885 20 30 ECEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)CCCCC1 ZINC000284328246 437053426 /nfs/dbraw/zinc/05/34/26/437053426.db2.gz QGAQVSLIPFUJPR-LBPRGKRZSA-N 1 2 333.392 0.885 20 30 ECEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(/C=N/OC)cc2)CC1 ZINC000299296175 437067737 /nfs/dbraw/zinc/06/77/37/437067737.db2.gz RMXVMUZBZKBKPF-DEDYPNTBSA-N 1 2 346.431 0.951 20 30 ECEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(/C=N/OC)cc2)CC1 ZINC000299296175 437067738 /nfs/dbraw/zinc/06/77/38/437067738.db2.gz RMXVMUZBZKBKPF-DEDYPNTBSA-N 1 2 346.431 0.951 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000285489614 437079552 /nfs/dbraw/zinc/07/95/52/437079552.db2.gz DMALXWGSUMPQJU-CQSZACIVSA-N 1 2 329.466 0.543 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000285489614 437079553 /nfs/dbraw/zinc/07/95/53/437079553.db2.gz DMALXWGSUMPQJU-CQSZACIVSA-N 1 2 329.466 0.543 20 30 ECEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3F)C[C@@H]21 ZINC000285425485 437077343 /nfs/dbraw/zinc/07/73/43/437077343.db2.gz XZBQHSYFIJLKSG-GJZGRUSLSA-N 1 2 346.362 0.567 20 30 ECEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3F)C[C@@H]21 ZINC000285425485 437077348 /nfs/dbraw/zinc/07/73/48/437077348.db2.gz XZBQHSYFIJLKSG-GJZGRUSLSA-N 1 2 346.362 0.567 20 30 ECEDLO C#CCNc1nc(N(CC)CCOC)nc(N(CC)CCOC)[nH+]1 ZINC000286225767 437089222 /nfs/dbraw/zinc/08/92/22/437089222.db2.gz HCYGKQXZKLVSSX-UHFFFAOYSA-N 1 2 336.440 0.862 20 30 ECEDLO C#CCNc1nc(N(CC)CCOC)[nH+]c(N(CC)CCOC)n1 ZINC000286225767 437089230 /nfs/dbraw/zinc/08/92/30/437089230.db2.gz HCYGKQXZKLVSSX-UHFFFAOYSA-N 1 2 336.440 0.862 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cn3ccccc3n2)CC1 ZINC000264820271 437089388 /nfs/dbraw/zinc/08/93/88/437089388.db2.gz DFDNKFCIPPTLTB-UHFFFAOYSA-N 1 2 339.399 0.232 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cn3ccccc3n2)CC1 ZINC000264820271 437089391 /nfs/dbraw/zinc/08/93/91/437089391.db2.gz DFDNKFCIPPTLTB-UHFFFAOYSA-N 1 2 339.399 0.232 20 30 ECEDLO C=CCSCCNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000286432742 437090947 /nfs/dbraw/zinc/09/09/47/437090947.db2.gz HIKKKFGJAIFASM-UHFFFAOYSA-N 1 2 334.445 0.766 20 30 ECEDLO N#CCSCC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000265364374 437112917 /nfs/dbraw/zinc/11/29/17/437112917.db2.gz UNDLXGQHGMMNAQ-HNNXBMFYSA-N 1 2 349.456 0.827 20 30 ECEDLO CNC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000331534965 437114832 /nfs/dbraw/zinc/11/48/32/437114832.db2.gz HALNGOIZVJMCBB-DZGCQCFKSA-N 1 2 327.388 0.667 20 30 ECEDLO CNC(=O)N[C@H]1CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000331534965 437114836 /nfs/dbraw/zinc/11/48/36/437114836.db2.gz HALNGOIZVJMCBB-DZGCQCFKSA-N 1 2 327.388 0.667 20 30 ECEDLO CC1(C)C[N@H+](CCNC(=O)C(=O)Nc2ccc(F)cc2C#N)CCO1 ZINC000175974575 437124826 /nfs/dbraw/zinc/12/48/26/437124826.db2.gz BWHZCGYWLSATAL-UHFFFAOYSA-N 1 2 348.378 0.863 20 30 ECEDLO CC1(C)C[N@@H+](CCNC(=O)C(=O)Nc2ccc(F)cc2C#N)CCO1 ZINC000175974575 437124830 /nfs/dbraw/zinc/12/48/30/437124830.db2.gz BWHZCGYWLSATAL-UHFFFAOYSA-N 1 2 348.378 0.863 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332391050 437216737 /nfs/dbraw/zinc/21/67/37/437216737.db2.gz XETPPOLPMWAGOQ-BBRMVZONSA-N 1 2 331.372 0.487 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332391050 437216743 /nfs/dbraw/zinc/21/67/43/437216743.db2.gz XETPPOLPMWAGOQ-BBRMVZONSA-N 1 2 331.372 0.487 20 30 ECEDLO CN1CCOC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000332094734 437208368 /nfs/dbraw/zinc/20/83/68/437208368.db2.gz BJFCVYAVEBMEIR-KRWDZBQOSA-N 1 2 328.416 0.533 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2cncc(O)c2)CC1 ZINC000179482224 437266168 /nfs/dbraw/zinc/26/61/68/437266168.db2.gz CGJOHUAAQURXCH-SNAWJCMRSA-N 1 2 342.399 0.084 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2cncc(O)c2)CC1 ZINC000179482224 437266170 /nfs/dbraw/zinc/26/61/70/437266170.db2.gz CGJOHUAAQURXCH-SNAWJCMRSA-N 1 2 342.399 0.084 20 30 ECEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@H](CO)C1 ZINC000266941251 437268441 /nfs/dbraw/zinc/26/84/41/437268441.db2.gz RDWPRHKVDHMTDQ-ZDUSSCGKSA-N 1 2 325.372 0.997 20 30 ECEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@H](CO)C1 ZINC000266941251 437268444 /nfs/dbraw/zinc/26/84/44/437268444.db2.gz RDWPRHKVDHMTDQ-ZDUSSCGKSA-N 1 2 325.372 0.997 20 30 ECEDLO C=CCN1CC[C@H](N(C)c2nc(NCCO)[nH+]c(NC(C)C)n2)C1=O ZINC000287724432 437225595 /nfs/dbraw/zinc/22/55/95/437225595.db2.gz LIBOJJNHLSAAPK-LBPRGKRZSA-N 1 2 349.439 0.319 20 30 ECEDLO C=CCN1CC[C@H](N(C)c2nc(NC(C)C)nc(NCCO)[nH+]2)C1=O ZINC000287724432 437225600 /nfs/dbraw/zinc/22/56/00/437225600.db2.gz LIBOJJNHLSAAPK-LBPRGKRZSA-N 1 2 349.439 0.319 20 30 ECEDLO C=CCN1CC[C@H](N(C)c2nc(NCCO)nc(NC(C)C)[nH+]2)C1=O ZINC000287724432 437225605 /nfs/dbraw/zinc/22/56/05/437225605.db2.gz LIBOJJNHLSAAPK-LBPRGKRZSA-N 1 2 349.439 0.319 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1 ZINC000325845601 437232453 /nfs/dbraw/zinc/23/24/53/437232453.db2.gz YYLGEJQOZPPLQO-HOCLYGCPSA-N 1 2 347.440 0.932 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1 ZINC000325845601 437232456 /nfs/dbraw/zinc/23/24/56/437232456.db2.gz YYLGEJQOZPPLQO-HOCLYGCPSA-N 1 2 347.440 0.932 20 30 ECEDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NCC[C@@H]2CCCO2)CCO1 ZINC000328629085 437242127 /nfs/dbraw/zinc/24/21/27/437242127.db2.gz HXNQFUNLCKJBIL-QWHCGFSZSA-N 1 2 328.413 0.637 20 30 ECEDLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NCC[C@@H]2CCCO2)CCO1 ZINC000328629085 437242129 /nfs/dbraw/zinc/24/21/29/437242129.db2.gz HXNQFUNLCKJBIL-QWHCGFSZSA-N 1 2 328.413 0.637 20 30 ECEDLO C#CCC(CC#C)C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000278350746 437306209 /nfs/dbraw/zinc/30/62/09/437306209.db2.gz KUUQDEFMOOZKPW-MRXNPFEDSA-N 1 2 329.444 0.804 20 30 ECEDLO CCc1nn(C)c(CC)c1CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000328838821 437271561 /nfs/dbraw/zinc/27/15/61/437271561.db2.gz NNCBPJNQBQAEMX-ZDUSSCGKSA-N 1 2 336.484 0.794 20 30 ECEDLO CCc1nn(C)c(CC)c1CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000328838821 437271562 /nfs/dbraw/zinc/27/15/62/437271562.db2.gz NNCBPJNQBQAEMX-ZDUSSCGKSA-N 1 2 336.484 0.794 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCc3nnc4ccccn43)C[C@@H]21 ZINC000328874052 437276945 /nfs/dbraw/zinc/27/69/45/437276945.db2.gz JIPKKWWRTJGTIG-QWHCGFSZSA-N 1 2 330.392 0.548 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCc3nnc4ccccn43)C[C@@H]21 ZINC000328874052 437276946 /nfs/dbraw/zinc/27/69/46/437276946.db2.gz JIPKKWWRTJGTIG-QWHCGFSZSA-N 1 2 330.392 0.548 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337387302 437357805 /nfs/dbraw/zinc/35/78/05/437357805.db2.gz FTKQACFVCMLYGY-UONOGXRCSA-N 1 2 329.466 0.894 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337387302 437357808 /nfs/dbraw/zinc/35/78/08/437357808.db2.gz FTKQACFVCMLYGY-UONOGXRCSA-N 1 2 329.466 0.894 20 30 ECEDLO COC(=O)c1cc(CO[NH+]=C(N)CN2CCOCC2)c(C)s1 ZINC000268074881 437364004 /nfs/dbraw/zinc/36/40/04/437364004.db2.gz MHQINZPPNIJFSM-UHFFFAOYSA-N 1 2 327.406 0.964 20 30 ECEDLO CS(=O)(=O)N1CCC[C@H]([NH+]=C([O-])N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329506678 437375736 /nfs/dbraw/zinc/37/57/36/437375736.db2.gz AQGVRGVXLDMVSC-MNOVXSKESA-N 1 2 341.437 0.195 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN(CC(=O)N3CCCC[C@H]3C)CC2)C1=O ZINC000337137438 437334490 /nfs/dbraw/zinc/33/44/90/437334490.db2.gz PLTLKCVYFFSPLL-IAGOWNOFSA-N 1 2 348.491 0.792 20 30 ECEDLO C=CCN1CC[C@@H](N2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)C1=O ZINC000337137438 437334493 /nfs/dbraw/zinc/33/44/93/437334493.db2.gz PLTLKCVYFFSPLL-IAGOWNOFSA-N 1 2 348.491 0.792 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)C1=O ZINC000337154079 437336231 /nfs/dbraw/zinc/33/62/31/437336231.db2.gz MNJDIIQJQQBAAI-KBPBESRZSA-N 1 2 327.450 0.273 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)C1=O ZINC000337154079 437336233 /nfs/dbraw/zinc/33/62/33/437336233.db2.gz MNJDIIQJQQBAAI-KBPBESRZSA-N 1 2 327.450 0.273 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N(C)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000337156066 437336859 /nfs/dbraw/zinc/33/68/59/437336859.db2.gz OKHQZJLRMOLYDH-ZIAGYGMSSA-N 1 2 332.470 0.508 20 30 ECEDLO CC[C@@H]1CN(C(=O)NCC[NH+]2CCSCC2)C[C@@H](C)S1(=O)=O ZINC000329241609 437338519 /nfs/dbraw/zinc/33/85/19/437338519.db2.gz RVGQTQPYGVLJQL-CHWSQXEVSA-N 1 2 349.522 0.847 20 30 ECEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NC[C@H]1CN(C)CCO1 ZINC000329730532 437405861 /nfs/dbraw/zinc/40/58/61/437405861.db2.gz POZHITQHCFVXFN-QLFBSQMISA-N 1 2 326.441 0.026 20 30 ECEDLO Cn1ncc(CON=C(N)c2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000289412956 437406921 /nfs/dbraw/zinc/40/69/21/437406921.db2.gz PQCWMTBVLVOMSO-UHFFFAOYSA-N 1 2 330.392 0.484 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cnn(CC(=O)NC4CC4)c3)C[C@@H]21 ZINC000329771451 437411623 /nfs/dbraw/zinc/41/16/23/437411623.db2.gz GUIMPPGKOKBUPN-UONOGXRCSA-N 1 2 348.407 0.562 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cnn(CC(=O)NC4CC4)c3)C[C@@H]21 ZINC000329771451 437411626 /nfs/dbraw/zinc/41/16/26/437411626.db2.gz GUIMPPGKOKBUPN-UONOGXRCSA-N 1 2 348.407 0.562 20 30 ECEDLO CC1(C)CN(C(=O)NCC[NH+]2CCSCC2)CCS1(=O)=O ZINC000329781307 437412241 /nfs/dbraw/zinc/41/22/41/437412241.db2.gz SOYGXNCLDNJURK-UHFFFAOYSA-N 1 2 335.495 0.458 20 30 ECEDLO CCOC(=O)[C@](C)(O)C[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000289475476 437414342 /nfs/dbraw/zinc/41/43/42/437414342.db2.gz NMSKTGWXIGIVEL-OAHLLOKOSA-N 1 2 338.433 0.759 20 30 ECEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)NC1(CO)CCC1 ZINC000329851071 437420905 /nfs/dbraw/zinc/42/09/05/437420905.db2.gz QMKVAQNKQFWQQE-UHFFFAOYSA-N 1 2 338.452 0.349 20 30 ECEDLO C[C@@H](CNS(=O)(=O)c1cncc(C#N)c1)C[NH+]1CCN(C)CC1 ZINC000289608291 437427465 /nfs/dbraw/zinc/42/74/65/437427465.db2.gz YFJFBGFAMNZJAQ-ZDUSSCGKSA-N 1 2 337.449 0.115 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nc3c(cc2C#N)CCC3)CC1 ZINC000338964360 437429048 /nfs/dbraw/zinc/42/90/48/437429048.db2.gz ZEESBFUHUUYCGC-UHFFFAOYSA-N 1 2 325.416 0.866 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2cc(S(N)(=O)=O)c(C)o2)CC1 ZINC000268190896 437381567 /nfs/dbraw/zinc/38/15/67/437381567.db2.gz XKQKZOXPWOJDMB-UHFFFAOYSA-N 1 2 325.390 0.017 20 30 ECEDLO CC[C@H](NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C(=O)N1CCOCC1 ZINC000329599399 437389605 /nfs/dbraw/zinc/38/96/05/437389605.db2.gz JUJUNHMUCSUOTO-RYUDHWBXSA-N 1 2 335.408 0.408 20 30 ECEDLO CC[C@H](NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C(=O)N1CCOCC1 ZINC000329599399 437389607 /nfs/dbraw/zinc/38/96/07/437389607.db2.gz JUJUNHMUCSUOTO-RYUDHWBXSA-N 1 2 335.408 0.408 20 30 ECEDLO CC(C)N1C[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1=O ZINC000329643233 437395339 /nfs/dbraw/zinc/39/53/39/437395339.db2.gz IDBDSBDJEUNTKK-CABCVRRESA-N 1 2 338.452 0.706 20 30 ECEDLO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000289296015 437397511 /nfs/dbraw/zinc/39/75/11/437397511.db2.gz YXOJQHASOKXFDF-INIZCTEOSA-N 1 2 337.445 0.777 20 30 ECEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)N1CCOCC1 ZINC000329679910 437400230 /nfs/dbraw/zinc/40/02/30/437400230.db2.gz XOYPDYVBSMQOOG-STQMWFEESA-N 1 2 325.388 0.579 20 30 ECEDLO C=C1CC[NH+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)CC1 ZINC000268335828 437401638 /nfs/dbraw/zinc/40/16/38/437401638.db2.gz QZVLLYHISPSYAD-UHFFFAOYSA-N 1 2 339.417 0.933 20 30 ECEDLO O=C(NC[C@@H]1CCCS(=O)(=O)C1)N1CC[NH+](C2CCC2)CC1 ZINC000329691453 437402119 /nfs/dbraw/zinc/40/21/19/437402119.db2.gz BXHRFYBXHFPWAR-ZDUSSCGKSA-N 1 2 329.466 0.895 20 30 ECEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000330219568 437471606 /nfs/dbraw/zinc/47/16/06/437471606.db2.gz POTKXORAKZCYBK-NVXWUHKLSA-N 1 2 337.464 0.980 20 30 ECEDLO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CC1)C(=O)N1CCS(=O)(=O)CC1 ZINC000330247761 437474038 /nfs/dbraw/zinc/47/40/38/437474038.db2.gz YZFAIVCTHIHHIT-WCQYABFASA-N 1 2 343.449 0.215 20 30 ECEDLO C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CC1)C(=O)N1CCS(=O)(=O)CC1 ZINC000330247761 437474042 /nfs/dbraw/zinc/47/40/42/437474042.db2.gz YZFAIVCTHIHHIT-WCQYABFASA-N 1 2 343.449 0.215 20 30 ECEDLO O=C(N[C@H]1CCCC[C@@H]1O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000330276278 437477702 /nfs/dbraw/zinc/47/77/02/437477702.db2.gz MQQIAEVWWPFPBM-KKUMJFAQSA-N 1 2 339.436 0.427 20 30 ECEDLO Cn1cc(CN2CCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)CC2)cn1 ZINC000330268025 437477773 /nfs/dbraw/zinc/47/77/73/437477773.db2.gz ILDGKAQBHHBCQF-OAHLLOKOSA-N 1 2 343.435 0.663 20 30 ECEDLO O=C(NC1CC(F)(F)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000330279127 437479443 /nfs/dbraw/zinc/47/94/43/437479443.db2.gz QOEBUSKONXYKBS-LLVKDONJSA-N 1 2 331.363 0.921 20 30 ECEDLO C[C@H]1C[C@@H](O)CN1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329935093 437435105 /nfs/dbraw/zinc/43/51/05/437435105.db2.gz KDPCSRNYSAJDCZ-GXTWGEPZSA-N 1 2 347.419 0.470 20 30 ECEDLO C#CCOc1ccccc1C[NH+]1CCN(C(=O)Cn2cnnn2)CC1 ZINC000289729896 437438142 /nfs/dbraw/zinc/43/81/42/437438142.db2.gz HUQVHHONWVHTGX-UHFFFAOYSA-N 1 2 340.387 0.030 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCCc3nnc4n3CCCCC4)C[C@H]21 ZINC000329972810 437439893 /nfs/dbraw/zinc/43/98/93/437439893.db2.gz ZGWKDXVXKVZOFZ-ZIAGYGMSSA-N 1 2 348.451 0.476 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCCc3nnc4n3CCCCC4)C[C@H]21 ZINC000329972810 437439897 /nfs/dbraw/zinc/43/98/97/437439897.db2.gz ZGWKDXVXKVZOFZ-ZIAGYGMSSA-N 1 2 348.451 0.476 20 30 ECEDLO COCC1(O)CC[NH+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000289863380 437445767 /nfs/dbraw/zinc/44/57/67/437445767.db2.gz LDXQXQSSQQCZGH-UHFFFAOYSA-N 1 2 339.417 0.200 20 30 ECEDLO C=C[C@@H](CO)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000290065427 437460688 /nfs/dbraw/zinc/46/06/88/437460688.db2.gz NLCMHAGVTTZBTD-AWEZNQCLSA-N 1 2 333.388 0.120 20 30 ECEDLO C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C[C@]2(CCCOC2)O1 ZINC000330159616 437461821 /nfs/dbraw/zinc/46/18/21/437461821.db2.gz RBVLTEWBDBXEAW-FMKPAKJESA-N 1 2 327.425 0.501 20 30 ECEDLO C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C[C@]2(CCCOC2)O1 ZINC000330159616 437461823 /nfs/dbraw/zinc/46/18/23/437461823.db2.gz RBVLTEWBDBXEAW-FMKPAKJESA-N 1 2 327.425 0.501 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000330382864 437497803 /nfs/dbraw/zinc/49/78/03/437497803.db2.gz XQKPUNONQYOACK-CQSZACIVSA-N 1 2 346.497 0.613 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330420679 437507523 /nfs/dbraw/zinc/50/75/23/437507523.db2.gz RKGVLJRWFKBVMQ-LBPRGKRZSA-N 1 2 326.426 0.006 20 30 ECEDLO CC(C)CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000330444019 437513696 /nfs/dbraw/zinc/51/36/96/437513696.db2.gz SJKIVYCTSVZYEO-LBPRGKRZSA-N 1 2 334.424 0.924 20 30 ECEDLO CC(C)CNC(=O)NC(=O)C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000330444019 437513700 /nfs/dbraw/zinc/51/37/00/437513700.db2.gz SJKIVYCTSVZYEO-LBPRGKRZSA-N 1 2 334.424 0.924 20 30 ECEDLO C=CCCCCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000339901337 437515274 /nfs/dbraw/zinc/51/52/74/437515274.db2.gz YLVIIVQDEVZQLV-HNNXBMFYSA-N 1 2 325.453 0.932 20 30 ECEDLO CN(CCC#N)S(=O)(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000330534200 437542762 /nfs/dbraw/zinc/54/27/62/437542762.db2.gz ONRRYCFHPLDHCE-CYBMUJFWSA-N 1 2 341.437 0.568 20 30 ECEDLO C=CCN(C(=O)[C@@H](C)C[NH+]1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000330592852 437560595 /nfs/dbraw/zinc/56/05/95/437560595.db2.gz YRRPUIHVVXPKIT-UONOGXRCSA-N 1 2 330.450 0.156 20 30 ECEDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000330632909 437572785 /nfs/dbraw/zinc/57/27/85/437572785.db2.gz RNWNEOTWDJSKSB-VXGBXAGGSA-N 1 2 348.469 0.075 20 30 ECEDLO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000330632909 437572789 /nfs/dbraw/zinc/57/27/89/437572789.db2.gz RNWNEOTWDJSKSB-VXGBXAGGSA-N 1 2 348.469 0.075 20 30 ECEDLO N#Cc1cc(F)cc(C2(C(=O)NCCC[N@@H+]3CCNC(=O)C3)CC2)c1 ZINC000354343079 437589263 /nfs/dbraw/zinc/58/92/63/437589263.db2.gz IPTJXNAYEUMKKQ-UHFFFAOYSA-N 1 2 344.390 0.667 20 30 ECEDLO N#Cc1cc(F)cc(C2(C(=O)NCCC[N@H+]3CCNC(=O)C3)CC2)c1 ZINC000354343079 437589268 /nfs/dbraw/zinc/58/92/68/437589268.db2.gz IPTJXNAYEUMKKQ-UHFFFAOYSA-N 1 2 344.390 0.667 20 30 ECEDLO CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000330848774 437633810 /nfs/dbraw/zinc/63/38/10/437633810.db2.gz DGQIQEPWTVUPNB-NWDGAFQWSA-N 1 2 333.454 0.428 20 30 ECEDLO CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000330848774 437633815 /nfs/dbraw/zinc/63/38/15/437633815.db2.gz DGQIQEPWTVUPNB-NWDGAFQWSA-N 1 2 333.454 0.428 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000330876367 437639013 /nfs/dbraw/zinc/63/90/13/437639013.db2.gz VDGADCMOKFPGQM-KBXCAEBGSA-N 1 2 337.464 0.905 20 30 ECEDLO C[C@@H](NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)[C@H](C)CO ZINC000330901910 437646350 /nfs/dbraw/zinc/64/63/50/437646350.db2.gz XDQWDFVIEXDNBG-CHWSQXEVSA-N 1 2 349.435 0.812 20 30 ECEDLO CC[N@H+](CC(N)=O)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000191711748 437654854 /nfs/dbraw/zinc/65/48/54/437654854.db2.gz HSGRMJCVXCPKHY-CYBMUJFWSA-N 1 2 349.460 0.264 20 30 ECEDLO CC[N@@H+](CC(N)=O)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000191711748 437654857 /nfs/dbraw/zinc/65/48/57/437654857.db2.gz HSGRMJCVXCPKHY-CYBMUJFWSA-N 1 2 349.460 0.264 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000330978214 437662398 /nfs/dbraw/zinc/66/23/98/437662398.db2.gz URPWBWJBNLZFQD-CRAIPNDOSA-N 1 2 337.464 0.859 20 30 ECEDLO COC(=O)c1cn([C@@H]2CC[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)nn1 ZINC000355034926 437663901 /nfs/dbraw/zinc/66/39/01/437663901.db2.gz LPCSXVIBGXUKCF-MLGOLLRUSA-N 1 2 346.391 0.120 20 30 ECEDLO COC(=O)c1cn([C@@H]2CC[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)nn1 ZINC000355034926 437663906 /nfs/dbraw/zinc/66/39/06/437663906.db2.gz LPCSXVIBGXUKCF-MLGOLLRUSA-N 1 2 346.391 0.120 20 30 ECEDLO C#CC[N@@H+](C)CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000192222141 437672004 /nfs/dbraw/zinc/67/20/04/437672004.db2.gz OEZPATPXKZWDHE-UHFFFAOYSA-N 1 2 346.406 0.473 20 30 ECEDLO C#CC[N@H+](C)CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000192222141 437672009 /nfs/dbraw/zinc/67/20/09/437672009.db2.gz OEZPATPXKZWDHE-UHFFFAOYSA-N 1 2 346.406 0.473 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc3c(cc2OC)OCO3)CC1 ZINC000355373184 437700221 /nfs/dbraw/zinc/70/02/21/437700221.db2.gz SRYSCAYOUFMIJO-UHFFFAOYSA-N 1 2 347.415 0.844 20 30 ECEDLO COC(=O)CN(CC#N)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000355591953 437719019 /nfs/dbraw/zinc/71/90/19/437719019.db2.gz YGTVUVHAZMRVTN-OAHLLOKOSA-N 1 2 331.372 0.413 20 30 ECEDLO COC(=O)CN(CC#N)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000355591953 437719021 /nfs/dbraw/zinc/71/90/21/437719021.db2.gz YGTVUVHAZMRVTN-OAHLLOKOSA-N 1 2 331.372 0.413 20 30 ECEDLO Cc1oc(NC(=O)C[NH+]2CCC3(CC2)NC(=O)NC3=O)c(C#N)c1C ZINC000340726469 437716941 /nfs/dbraw/zinc/71/69/41/437716941.db2.gz JRXPNOASIWGOHY-UHFFFAOYSA-N 1 2 345.359 0.381 20 30 ECEDLO CCOC(=O)CNC(=O)C1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356134025 437751236 /nfs/dbraw/zinc/75/12/36/437751236.db2.gz YEYPFMGZBQDPAE-UHFFFAOYSA-N 1 2 336.417 0.906 20 30 ECEDLO C=CC[C@@H](C)NC(=O)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000364682006 437820627 /nfs/dbraw/zinc/82/06/27/437820627.db2.gz MAIUTXQRPAKGIS-CABCVRRESA-N 1 2 338.452 0.573 20 30 ECEDLO C=CCNC(=O)CNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000346765930 437821268 /nfs/dbraw/zinc/82/12/68/437821268.db2.gz GATHNJONPXVHIH-ZDUSSCGKSA-N 1 2 347.419 0.408 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345656157 437795325 /nfs/dbraw/zinc/79/53/25/437795325.db2.gz CUCLIPXVAAPKHX-LLVKDONJSA-N 1 2 348.363 0.488 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345656157 437795329 /nfs/dbraw/zinc/79/53/29/437795329.db2.gz CUCLIPXVAAPKHX-LLVKDONJSA-N 1 2 348.363 0.488 20 30 ECEDLO C=CCN(C)C(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000346019484 437801719 /nfs/dbraw/zinc/80/17/19/437801719.db2.gz SUKTWMMSZHKFNZ-QGZVFWFLSA-N 1 2 345.443 0.691 20 30 ECEDLO COc1ccnc(N2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)n1 ZINC000346249056 437806295 /nfs/dbraw/zinc/80/62/95/437806295.db2.gz VWVJQXBEDLKWCW-ZDUSSCGKSA-N 1 2 344.419 0.558 20 30 ECEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000346420637 437811532 /nfs/dbraw/zinc/81/15/32/437811532.db2.gz YWXGHYZNYNCTBT-VXGBXAGGSA-N 1 2 325.434 0.918 20 30 ECEDLO COC(=O)C[C@@H]1CSCC[N@H+]1[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000346420637 437811537 /nfs/dbraw/zinc/81/15/37/437811537.db2.gz YWXGHYZNYNCTBT-VXGBXAGGSA-N 1 2 325.434 0.918 20 30 ECEDLO N#CCOc1ccc(/C=C/C(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1 ZINC000370641853 437813574 /nfs/dbraw/zinc/81/35/74/437813574.db2.gz HDWCHWRBFDLTBI-QPJJXVBHSA-N 1 2 342.399 0.622 20 30 ECEDLO N#CCOc1ccc(/C=C/C(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1 ZINC000370641853 437813577 /nfs/dbraw/zinc/81/35/77/437813577.db2.gz HDWCHWRBFDLTBI-QPJJXVBHSA-N 1 2 342.399 0.622 20 30 ECEDLO COc1cc(N2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)ncn1 ZINC000346550905 437814830 /nfs/dbraw/zinc/81/48/30/437814830.db2.gz UEQZNQRUMJBLFW-ZDUSSCGKSA-N 1 2 344.419 0.558 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000370881512 437852566 /nfs/dbraw/zinc/85/25/66/437852566.db2.gz OQUZKPALHRMEQV-HNNXBMFYSA-N 1 2 349.479 0.410 20 30 ECEDLO COC(=O)c1cn([C@H]2CCC[N@H+](CC(=O)NC3(C#N)CCC3)C2)nn1 ZINC000347248666 437859152 /nfs/dbraw/zinc/85/91/52/437859152.db2.gz LXSAYTCKOMJXBA-LBPRGKRZSA-N 1 2 346.391 0.264 20 30 ECEDLO COC(=O)c1cn([C@H]2CCC[N@@H+](CC(=O)NC3(C#N)CCC3)C2)nn1 ZINC000347248666 437859157 /nfs/dbraw/zinc/85/91/57/437859157.db2.gz LXSAYTCKOMJXBA-LBPRGKRZSA-N 1 2 346.391 0.264 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2cc(C#N)cc(C)n2)CC1 ZINC000341979670 437933801 /nfs/dbraw/zinc/93/38/01/437933801.db2.gz FSXQFUDAUQNSQL-HNNXBMFYSA-N 1 2 345.447 0.925 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000365317091 437895299 /nfs/dbraw/zinc/89/52/99/437895299.db2.gz LPVZSGQCRSFWDZ-AWEZNQCLSA-N 1 2 342.465 0.248 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000365317091 437895300 /nfs/dbraw/zinc/89/53/00/437895300.db2.gz LPVZSGQCRSFWDZ-AWEZNQCLSA-N 1 2 342.465 0.248 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[N@@H+](CC(=O)NCC)CC2)nn1 ZINC000424580268 437977085 /nfs/dbraw/zinc/97/70/85/437977085.db2.gz DSMKLHGCFIKZRF-UHFFFAOYSA-N 1 2 334.424 0.138 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[N@H+](CC(=O)NCC)CC2)nn1 ZINC000424580268 437977090 /nfs/dbraw/zinc/97/70/90/437977090.db2.gz DSMKLHGCFIKZRF-UHFFFAOYSA-N 1 2 334.424 0.138 20 30 ECEDLO C#CCSCCNC(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000371762255 437989147 /nfs/dbraw/zinc/98/91/47/437989147.db2.gz GMLVKDCXAROABT-UHFFFAOYSA-N 1 2 338.477 0.478 20 30 ECEDLO O=C(C#Cc1ccccc1)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000365922375 437990735 /nfs/dbraw/zinc/99/07/35/437990735.db2.gz SOAHODXYVOSPFO-KRWDZBQOSA-N 1 2 325.412 0.851 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000425887789 438047046 /nfs/dbraw/zinc/04/70/46/438047046.db2.gz BMGMPMXWFBMHSC-ZFWWWQNUSA-N 1 2 346.431 0.885 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[NH+](C(COC)COC)CC2)nn1 ZINC000424894906 437997460 /nfs/dbraw/zinc/99/74/60/437997460.db2.gz ORSDJIAWUMTAPH-UHFFFAOYSA-N 1 2 337.424 0.273 20 30 ECEDLO CN1C[C@H]2C[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CCN2C1=O ZINC000373244249 438138508 /nfs/dbraw/zinc/13/85/08/438138508.db2.gz KPHZZYBKHUKPQT-HOTGVXAUSA-N 1 2 339.399 0.715 20 30 ECEDLO CN1C[C@H]2C[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CCN2C1=O ZINC000373244249 438138513 /nfs/dbraw/zinc/13/85/13/438138513.db2.gz KPHZZYBKHUKPQT-HOTGVXAUSA-N 1 2 339.399 0.715 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000349775140 438178118 /nfs/dbraw/zinc/17/81/18/438178118.db2.gz JWCVBWPWDYRNDO-MGPQQGTHSA-N 1 2 330.454 0.118 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Cl)nn2)CC1 ZINC000374044823 438184545 /nfs/dbraw/zinc/18/45/45/438184545.db2.gz JYVGDWSQDOPUGT-UHFFFAOYSA-N 1 2 335.795 0.027 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Cl)nn2)CC1 ZINC000374044823 438184550 /nfs/dbraw/zinc/18/45/50/438184550.db2.gz JYVGDWSQDOPUGT-UHFFFAOYSA-N 1 2 335.795 0.027 20 30 ECEDLO C=CCN1CC[C@@H](N(C)C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1=O ZINC000374057705 438185305 /nfs/dbraw/zinc/18/53/05/438185305.db2.gz LDXRFFQHMZHSBG-HZPDHXFCSA-N 1 2 335.448 0.733 20 30 ECEDLO C=CCN1CC[C@@H](N(C)C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1=O ZINC000374057705 438185307 /nfs/dbraw/zinc/18/53/07/438185307.db2.gz LDXRFFQHMZHSBG-HZPDHXFCSA-N 1 2 335.448 0.733 20 30 ECEDLO Cc1nn(C)c(N2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)c1C#N ZINC000349896415 438186033 /nfs/dbraw/zinc/18/60/33/438186033.db2.gz QUNITDWXEIMPRW-CQSZACIVSA-N 1 2 343.435 0.483 20 30 ECEDLO Cc1nc(N2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)cc[nH+]1 ZINC000349496664 438156516 /nfs/dbraw/zinc/15/65/16/438156516.db2.gz LGCXLIANGCWJHY-UHFFFAOYSA-N 1 2 335.433 0.931 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc3c(c(OC)c2)OCO3)CC1 ZINC000349745967 438174063 /nfs/dbraw/zinc/17/40/63/438174063.db2.gz FDRRXTUQGJQBKY-UHFFFAOYSA-N 1 2 347.415 0.844 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2cc3c(c(OC)c2)OCO3)CC1 ZINC000349745967 438174067 /nfs/dbraw/zinc/17/40/67/438174067.db2.gz FDRRXTUQGJQBKY-UHFFFAOYSA-N 1 2 347.415 0.844 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000374531506 438215916 /nfs/dbraw/zinc/21/59/16/438215916.db2.gz UMZOYBSCPHPKFS-JKSUJKDBSA-N 1 2 349.479 0.281 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)c2c(C)n[nH]c2C)CC1 ZINC000374625415 438220904 /nfs/dbraw/zinc/22/09/04/438220904.db2.gz BAJUWPWRFIAZCJ-CYBMUJFWSA-N 1 2 345.447 0.414 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)c2c(C)n[nH]c2C)CC1 ZINC000374625415 438220909 /nfs/dbraw/zinc/22/09/09/438220909.db2.gz BAJUWPWRFIAZCJ-CYBMUJFWSA-N 1 2 345.447 0.414 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000433079251 438222829 /nfs/dbraw/zinc/22/28/29/438222829.db2.gz YUSHYTAHFJCQOC-STQMWFEESA-N 1 2 327.450 0.694 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000433079251 438222833 /nfs/dbraw/zinc/22/28/33/438222833.db2.gz YUSHYTAHFJCQOC-STQMWFEESA-N 1 2 327.450 0.694 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cc(C#N)cn1C ZINC000375283857 438245055 /nfs/dbraw/zinc/24/50/55/438245055.db2.gz GFHJWOOQQCPTBU-IAQYHMDHSA-N 1 2 326.360 0.380 20 30 ECEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1 ZINC000376099417 438270065 /nfs/dbraw/zinc/27/00/65/438270065.db2.gz VFUGANMWKLPRPA-MRXNPFEDSA-N 1 2 339.399 0.260 20 30 ECEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1 ZINC000376099417 438270074 /nfs/dbraw/zinc/27/00/74/438270074.db2.gz VFUGANMWKLPRPA-MRXNPFEDSA-N 1 2 339.399 0.260 20 30 ECEDLO Cn1cc[nH+]c1[C@H]1CN(S(=O)(=O)CCC(C)(C)C#N)CCN1C ZINC000377858295 438330115 /nfs/dbraw/zinc/33/01/15/438330115.db2.gz XSKHBDFFFPWNJT-CYBMUJFWSA-N 1 2 339.465 0.978 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1[C@H]2C[C@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000368477591 438335441 /nfs/dbraw/zinc/33/54/41/438335441.db2.gz LECFLCOIDNPHAS-CBBWQLFWSA-N 1 2 337.420 0.932 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1[C@H]2C[C@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000368477591 438335446 /nfs/dbraw/zinc/33/54/46/438335446.db2.gz LECFLCOIDNPHAS-CBBWQLFWSA-N 1 2 337.420 0.932 20 30 ECEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@@H]2OCC(=O)N[C@@H]2C1)c1ccccc1 ZINC000377394324 438309928 /nfs/dbraw/zinc/30/99/28/438309928.db2.gz XAFZMTRARWRPFY-CVEARBPZSA-N 1 2 342.399 0.523 20 30 ECEDLO N#CCCN(C(=O)C[N@H+]1CC[C@@H]2OCC(=O)N[C@@H]2C1)c1ccccc1 ZINC000377394324 438309931 /nfs/dbraw/zinc/30/99/31/438309931.db2.gz XAFZMTRARWRPFY-CVEARBPZSA-N 1 2 342.399 0.523 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCOCC(F)(F)F)CC1 ZINC000377549718 438312161 /nfs/dbraw/zinc/31/21/61/438312161.db2.gz UXKXGOGWTIWSGY-UHFFFAOYSA-N 1 2 349.353 0.239 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCOCC(F)(F)F)CC1 ZINC000377549718 438312165 /nfs/dbraw/zinc/31/21/65/438312165.db2.gz UXKXGOGWTIWSGY-UHFFFAOYSA-N 1 2 349.353 0.239 20 30 ECEDLO N#CC1(F)CC[NH+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000352458991 438426992 /nfs/dbraw/zinc/42/69/92/438426992.db2.gz RNTAQHQHACLYNY-UHFFFAOYSA-N 1 2 348.378 0.892 20 30 ECEDLO COC1(CO)CC[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000401721756 438462579 /nfs/dbraw/zinc/46/25/79/438462579.db2.gz NXAHQEQFKUUNCC-UHFFFAOYSA-N 1 2 338.429 0.805 20 30 ECEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000352784914 438475273 /nfs/dbraw/zinc/47/52/73/438475273.db2.gz SKFHQYCBIIZKOM-HUUCEWRRSA-N 1 2 345.399 0.391 20 30 ECEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000352784914 438475278 /nfs/dbraw/zinc/47/52/78/438475278.db2.gz SKFHQYCBIIZKOM-HUUCEWRRSA-N 1 2 345.399 0.391 20 30 ECEDLO C[C@H](CNS(=O)(=O)CC1(C#N)CCCC1)C[NH+]1CCOCC1 ZINC000352874804 438486261 /nfs/dbraw/zinc/48/62/61/438486261.db2.gz WLSDBLQHVICVQD-CQSZACIVSA-N 1 2 329.466 0.958 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC(=O)NCc1cccs1 ZINC000353273908 438503476 /nfs/dbraw/zinc/50/34/76/438503476.db2.gz NMQFQJVMPZCEHU-LLVKDONJSA-N 1 2 338.433 0.696 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)NCc1cccs1 ZINC000353273908 438503481 /nfs/dbraw/zinc/50/34/81/438503481.db2.gz NMQFQJVMPZCEHU-LLVKDONJSA-N 1 2 338.433 0.696 20 30 ECEDLO C[C@H](C#N)CN(C)C(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000410482242 438589915 /nfs/dbraw/zinc/58/99/15/438589915.db2.gz IANUPBNAGKCSEP-CABCVRRESA-N 1 2 336.436 0.318 20 30 ECEDLO C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)C1=O ZINC000422589990 438592516 /nfs/dbraw/zinc/59/25/16/438592516.db2.gz NRANPODVQHTVQB-HNNXBMFYSA-N 1 2 344.415 0.560 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)CC2(C#N)CCCCC2)CC[N@@H+]1CCO ZINC000408365956 438562853 /nfs/dbraw/zinc/56/28/53/438562853.db2.gz JHIJISYSMGAGBG-AWEZNQCLSA-N 1 2 329.466 0.789 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)CC2(C#N)CCCCC2)CC[N@H+]1CCO ZINC000408365956 438562856 /nfs/dbraw/zinc/56/28/56/438562856.db2.gz JHIJISYSMGAGBG-AWEZNQCLSA-N 1 2 329.466 0.789 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000451980659 438622039 /nfs/dbraw/zinc/62/20/39/438622039.db2.gz AATLJYHQMCLELV-NEPJUHHUSA-N 1 2 325.413 0.122 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000451980659 438622041 /nfs/dbraw/zinc/62/20/41/438622041.db2.gz AATLJYHQMCLELV-NEPJUHHUSA-N 1 2 325.413 0.122 20 30 ECEDLO N#CC1CCC(CNS(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000443226013 438648863 /nfs/dbraw/zinc/64/88/63/438648863.db2.gz MBGFIKXJWZVTQT-UHFFFAOYSA-N 1 2 329.466 0.958 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000444807912 438665117 /nfs/dbraw/zinc/66/51/17/438665117.db2.gz YEQBLCOYUOUHQJ-OLZOCXBDSA-N 1 2 327.450 0.836 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000444807912 438665119 /nfs/dbraw/zinc/66/51/19/438665119.db2.gz YEQBLCOYUOUHQJ-OLZOCXBDSA-N 1 2 327.450 0.836 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCN3C(=O)OCC[C@@H]3C2)cc1 ZINC000494084442 438671715 /nfs/dbraw/zinc/67/17/15/438671715.db2.gz AIWNFHMXMJDHMS-OAHLLOKOSA-N 1 2 328.372 0.701 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCN3C(=O)OCC[C@@H]3C2)cc1 ZINC000494084442 438671717 /nfs/dbraw/zinc/67/17/17/438671717.db2.gz AIWNFHMXMJDHMS-OAHLLOKOSA-N 1 2 328.372 0.701 20 30 ECEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)c1 ZINC000453737011 438692762 /nfs/dbraw/zinc/69/27/62/438692762.db2.gz MFGAPXRFHPPDRV-CQSZACIVSA-N 1 2 344.415 0.984 20 30 ECEDLO C[C@@H]1CN(c2ccc(CNC(=O)Cn3cnc(C#N)n3)c[nH+]2)CCO1 ZINC000494521485 438695489 /nfs/dbraw/zinc/69/54/89/438695489.db2.gz DEQZPFAWOFLANY-GFCCVEGCSA-N 1 2 341.375 0.086 20 30 ECEDLO C[C@H]1CN(c2ccc(CNC(=O)Cn3cnc(C#N)n3)c[nH+]2)CCO1 ZINC000494521486 438695758 /nfs/dbraw/zinc/69/57/58/438695758.db2.gz DEQZPFAWOFLANY-LBPRGKRZSA-N 1 2 341.375 0.086 20 30 ECEDLO C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)C[C@@](C)(c2ccccc2)C1=O ZINC000414158566 438699692 /nfs/dbraw/zinc/69/96/92/438699692.db2.gz ZHAGDGNXZGIREY-QAPCUYQASA-N 1 2 329.400 0.910 20 30 ECEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)C[C@@](C)(c2ccccc2)C1=O ZINC000414158566 438699696 /nfs/dbraw/zinc/69/96/96/438699696.db2.gz ZHAGDGNXZGIREY-QAPCUYQASA-N 1 2 329.400 0.910 20 30 ECEDLO C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000414101214 438700064 /nfs/dbraw/zinc/70/00/64/438700064.db2.gz TUGBPKQVMSGCCL-PBHICJAKSA-N 1 2 330.388 0.660 20 30 ECEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000414101214 438700066 /nfs/dbraw/zinc/70/00/66/438700066.db2.gz TUGBPKQVMSGCCL-PBHICJAKSA-N 1 2 330.388 0.660 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)s1 ZINC000451666515 438706869 /nfs/dbraw/zinc/70/68/69/438706869.db2.gz HIWVPFZEGGNGKT-LLVKDONJSA-N 1 2 329.447 0.745 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)s1 ZINC000451666515 438706871 /nfs/dbraw/zinc/70/68/71/438706871.db2.gz HIWVPFZEGGNGKT-LLVKDONJSA-N 1 2 329.447 0.745 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000575113832 438736871 /nfs/dbraw/zinc/73/68/71/438736871.db2.gz GSRSSQHOOYPSQA-AWEZNQCLSA-N 1 2 326.404 0.836 20 30 ECEDLO C=C(CC)CNC(=O)N1CC[NH+]([C@@H](C)C(=O)NCCCOC)CC1 ZINC000455522110 438746899 /nfs/dbraw/zinc/74/68/99/438746899.db2.gz LVASEYMHGNCCQC-HNNXBMFYSA-N 1 2 340.468 0.821 20 30 ECEDLO N#Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3ncns3)CC2)cc1 ZINC000595513230 438812646 /nfs/dbraw/zinc/81/26/46/438812646.db2.gz SPOXDUXRCRRJEN-CQSZACIVSA-N 1 2 345.428 0.972 20 30 ECEDLO C=CCN1C(=O)C(=O)N(CC(=O)NCc2c[nH+]c(C)cc2C)C1=O ZINC000514656813 438819887 /nfs/dbraw/zinc/81/98/87/438819887.db2.gz RIUGWICIFHGWGW-UHFFFAOYSA-N 1 2 330.344 0.291 20 30 ECEDLO CN1C[C@@H]([N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)CCC1=O ZINC000514706844 438826341 /nfs/dbraw/zinc/82/63/41/438826341.db2.gz MZYRBTWUHKXUQX-AWEZNQCLSA-N 1 2 335.429 0.885 20 30 ECEDLO CN1C[C@@H]([N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)CCC1=O ZINC000514706844 438826347 /nfs/dbraw/zinc/82/63/47/438826347.db2.gz MZYRBTWUHKXUQX-AWEZNQCLSA-N 1 2 335.429 0.885 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)CN(C)Cc3c[nH+]c[nH]3)CC2)o1 ZINC000595593465 438831575 /nfs/dbraw/zinc/83/15/75/438831575.db2.gz GKRYRWGDXANSFQ-UHFFFAOYSA-N 1 2 343.391 0.358 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)CN(C)Cc3c[nH]c[nH+]3)CC2)o1 ZINC000595593465 438831579 /nfs/dbraw/zinc/83/15/79/438831579.db2.gz GKRYRWGDXANSFQ-UHFFFAOYSA-N 1 2 343.391 0.358 20 30 ECEDLO C=CCC[C@H](CO)NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000457867897 438836533 /nfs/dbraw/zinc/83/65/33/438836533.db2.gz DJIATMVSKZWYSR-OAHLLOKOSA-N 1 2 348.451 0.225 20 30 ECEDLO N#Cc1cc(NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)ncn1 ZINC000562422123 438852100 /nfs/dbraw/zinc/85/21/00/438852100.db2.gz QPOKVKPCCOWEED-UHFFFAOYSA-N 1 2 342.447 1.485 20 30 ECEDLO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NS(=O)(=O)CC1(C#N)CC1 ZINC000601451783 438899786 /nfs/dbraw/zinc/89/97/86/438899786.db2.gz AKKCJIFDEICGEX-QWHCGFSZSA-N 1 2 327.450 0.709 20 30 ECEDLO C[C@@H](CNS(=O)(=O)c1ccccc1CC#N)C[NH+]1CCOCC1 ZINC000601351998 438859476 /nfs/dbraw/zinc/85/94/76/438859476.db2.gz RPOQTIDYRDLBGF-AWEZNQCLSA-N 1 2 337.445 0.999 20 30 ECEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000601354383 438859517 /nfs/dbraw/zinc/85/95/17/438859517.db2.gz ZZWOMXNSQYUOSG-GFCCVEGCSA-N 1 2 341.408 0.693 20 30 ECEDLO N#CC1(CS(=O)(=O)N2CC(C[NH+]3CCOCC3)C2)CCCC1 ZINC000601417821 438884628 /nfs/dbraw/zinc/88/46/28/438884628.db2.gz DHFYUXWUFVDJHY-UHFFFAOYSA-N 1 2 327.450 0.664 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O ZINC000589827794 438887081 /nfs/dbraw/zinc/88/70/81/438887081.db2.gz GLGBKJUOMQSDAG-HNNXBMFYSA-N 1 2 335.408 0.201 20 30 ECEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000601469615 438908936 /nfs/dbraw/zinc/90/89/36/438908936.db2.gz SFIKAYQIMQZEMO-CYBMUJFWSA-N 1 2 327.381 0.303 20 30 ECEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000601469615 438908942 /nfs/dbraw/zinc/90/89/42/438908942.db2.gz SFIKAYQIMQZEMO-CYBMUJFWSA-N 1 2 327.381 0.303 20 30 ECEDLO C[C@@H]1NC(=O)N(CC[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)C1=O ZINC000459374275 438961661 /nfs/dbraw/zinc/96/16/61/438961661.db2.gz JEOWGDCVZIWZCK-HOCLYGCPSA-N 1 2 341.415 0.809 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000565785611 438977899 /nfs/dbraw/zinc/97/78/99/438977899.db2.gz AGPITDQFTNGEGR-RYUDHWBXSA-N 1 2 343.453 0.406 20 30 ECEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](CCO)CCOCCO ZINC000459791999 438997907 /nfs/dbraw/zinc/99/79/07/438997907.db2.gz NRZZRNJPUWYIPT-UHFFFAOYSA-N 1 2 341.795 0.453 20 30 ECEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](CCO)CCOCCO ZINC000459791999 438997913 /nfs/dbraw/zinc/99/79/13/438997913.db2.gz NRZZRNJPUWYIPT-UHFFFAOYSA-N 1 2 341.795 0.453 20 30 ECEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000602024215 439000423 /nfs/dbraw/zinc/00/04/23/439000423.db2.gz OIFBBHFLYYXMOU-NSHDSACASA-N 1 2 334.351 0.473 20 30 ECEDLO C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000602024215 439000429 /nfs/dbraw/zinc/00/04/29/439000429.db2.gz OIFBBHFLYYXMOU-NSHDSACASA-N 1 2 334.351 0.473 20 30 ECEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000602049996 439003157 /nfs/dbraw/zinc/00/31/57/439003157.db2.gz GKFIUPKQGSKNTG-NEPJUHHUSA-N 1 2 348.378 0.861 20 30 ECEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000602049996 439003163 /nfs/dbraw/zinc/00/31/63/439003163.db2.gz GKFIUPKQGSKNTG-NEPJUHHUSA-N 1 2 348.378 0.861 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2cccc(CC#N)c2)[C@@H](C)C[N@@H+]1CCO ZINC000591333840 439006419 /nfs/dbraw/zinc/00/64/19/439006419.db2.gz YSQVKKUGZVAZAX-KGLIPLIRSA-N 1 2 337.445 0.828 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2cccc(CC#N)c2)[C@@H](C)C[N@H+]1CCO ZINC000591333840 439006424 /nfs/dbraw/zinc/00/64/24/439006424.db2.gz YSQVKKUGZVAZAX-KGLIPLIRSA-N 1 2 337.445 0.828 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCC1(C#N)CCCCC1 ZINC000597192881 439055561 /nfs/dbraw/zinc/05/55/61/439055561.db2.gz PPMDUVAAGOMCHQ-AWEZNQCLSA-N 1 2 336.436 0.414 20 30 ECEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000602279941 439056594 /nfs/dbraw/zinc/05/65/94/439056594.db2.gz GIEXHSIALNGTND-UKRRQHHQSA-N 1 2 344.419 0.106 20 30 ECEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000602279941 439056596 /nfs/dbraw/zinc/05/65/96/439056596.db2.gz GIEXHSIALNGTND-UKRRQHHQSA-N 1 2 344.419 0.106 20 30 ECEDLO CC[C@@](C)(C#N)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000521115793 439108252 /nfs/dbraw/zinc/10/82/52/439108252.db2.gz FZCXYXCBIBBDGH-PBHICJAKSA-N 1 2 336.436 0.508 20 30 ECEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)C(C)(C)CO ZINC000566492010 439065183 /nfs/dbraw/zinc/06/51/83/439065183.db2.gz HBBIPHPJOBXKJU-CYBMUJFWSA-N 1 2 349.416 0.725 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000602326872 439065705 /nfs/dbraw/zinc/06/57/05/439065705.db2.gz GRXAATHSUSNBFR-JJRVBVJISA-N 1 2 336.436 0.594 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000602326872 439065723 /nfs/dbraw/zinc/06/57/23/439065723.db2.gz GRXAATHSUSNBFR-JJRVBVJISA-N 1 2 336.436 0.594 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(C(=O)OCC)[nH]2)CC1 ZINC000602429594 439083561 /nfs/dbraw/zinc/08/35/61/439083561.db2.gz HKVJMMMGQXJJFN-UHFFFAOYSA-N 1 2 334.420 0.611 20 30 ECEDLO COC(=O)c1ccsc1N1CC[C@@H]([N@@H+]2CC[C@@](O)(CC#N)C2)C1=O ZINC000592150772 439166836 /nfs/dbraw/zinc/16/68/36/439166836.db2.gz ITTSPYLXKPGKQT-WBMJQRKESA-N 1 2 349.412 0.990 20 30 ECEDLO COC(=O)c1ccsc1N1CC[C@@H]([N@H+]2CC[C@@](O)(CC#N)C2)C1=O ZINC000592150772 439166837 /nfs/dbraw/zinc/16/68/37/439166837.db2.gz ITTSPYLXKPGKQT-WBMJQRKESA-N 1 2 349.412 0.990 20 30 ECEDLO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149332 439168052 /nfs/dbraw/zinc/16/80/52/439168052.db2.gz NDJZVXBEERQRET-LBTNJELSSA-N 1 2 345.399 0.682 20 30 ECEDLO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149332 439168057 /nfs/dbraw/zinc/16/80/57/439168057.db2.gz NDJZVXBEERQRET-LBTNJELSSA-N 1 2 345.399 0.682 20 30 ECEDLO C[C@@](O)(C[C@H](O)CN(CCC#N)CC[NH+]1CCOCC1)C1CC1 ZINC000602779869 439135385 /nfs/dbraw/zinc/13/53/85/439135385.db2.gz UAGYERSRAIYLRF-DLBZAZTESA-N 1 2 325.453 0.446 20 30 ECEDLO C[C@@](O)(C[C@H](O)C[N@H+](CCC#N)CCN1CCOCC1)C1CC1 ZINC000602779869 439135390 /nfs/dbraw/zinc/13/53/90/439135390.db2.gz UAGYERSRAIYLRF-DLBZAZTESA-N 1 2 325.453 0.446 20 30 ECEDLO C[C@@](O)(C[C@H](O)C[N@@H+](CCC#N)CCN1CCOCC1)C1CC1 ZINC000602779869 439135395 /nfs/dbraw/zinc/13/53/95/439135395.db2.gz UAGYERSRAIYLRF-DLBZAZTESA-N 1 2 325.453 0.446 20 30 ECEDLO N#Cc1ccc(N2CC[C@H]([NH+]3CCN(c4nc[nH]n4)CC3)C2=O)cc1 ZINC000602869832 439146503 /nfs/dbraw/zinc/14/65/03/439146503.db2.gz IQHHOLDSADWJCP-HNNXBMFYSA-N 1 2 337.387 0.604 20 30 ECEDLO COC(=O)[C@]1(C)C[C@H](OC)C[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000602938218 439164549 /nfs/dbraw/zinc/16/45/49/439164549.db2.gz WWTIFYWLMPAANU-VKJFTORMSA-N 1 2 348.399 0.950 20 30 ECEDLO COC(=O)[C@]1(C)C[C@H](OC)C[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000602938218 439164553 /nfs/dbraw/zinc/16/45/53/439164553.db2.gz WWTIFYWLMPAANU-VKJFTORMSA-N 1 2 348.399 0.950 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000592199486 439179583 /nfs/dbraw/zinc/17/95/83/439179583.db2.gz QRMNIIAPDHXZHY-KGLIPLIRSA-N 1 2 342.355 0.964 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000592199486 439179588 /nfs/dbraw/zinc/17/95/88/439179588.db2.gz QRMNIIAPDHXZHY-KGLIPLIRSA-N 1 2 342.355 0.964 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)N1CC[NH+](CCc2cnccn2)CC1 ZINC000602999025 439179613 /nfs/dbraw/zinc/17/96/13/439179613.db2.gz WZQKBGIOVGIRBG-CQSZACIVSA-N 1 2 346.435 0.037 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(CCc2cnccn2)CC1 ZINC000602999025 439179617 /nfs/dbraw/zinc/17/96/17/439179617.db2.gz WZQKBGIOVGIRBG-CQSZACIVSA-N 1 2 346.435 0.037 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000592202217 439179716 /nfs/dbraw/zinc/17/97/16/439179716.db2.gz ZLTYHZICAGPHEC-NJZAAPMLSA-N 1 2 331.372 0.741 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000592202217 439179718 /nfs/dbraw/zinc/17/97/18/439179718.db2.gz ZLTYHZICAGPHEC-NJZAAPMLSA-N 1 2 331.372 0.741 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000567989757 439201819 /nfs/dbraw/zinc/20/18/19/439201819.db2.gz PHUDQRFHTWMOEV-UHFFFAOYSA-N 1 2 343.387 0.886 20 30 ECEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CCOCC(F)F)c1=O ZINC000581402150 439207877 /nfs/dbraw/zinc/20/78/77/439207877.db2.gz VLECPZVVKUUINJ-UHFFFAOYSA-N 1 2 327.331 0.834 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)CC1 ZINC000490917531 439312419 /nfs/dbraw/zinc/31/24/19/439312419.db2.gz YPTVZTXARDPKJM-HNNXBMFYSA-N 1 2 330.436 0.070 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)CC1 ZINC000490917531 439312422 /nfs/dbraw/zinc/31/24/22/439312422.db2.gz YPTVZTXARDPKJM-HNNXBMFYSA-N 1 2 330.436 0.070 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)CC1 ZINC000490917531 439312424 /nfs/dbraw/zinc/31/24/24/439312424.db2.gz YPTVZTXARDPKJM-HNNXBMFYSA-N 1 2 330.436 0.070 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)CC1 ZINC000490917531 439312430 /nfs/dbraw/zinc/31/24/30/439312430.db2.gz YPTVZTXARDPKJM-HNNXBMFYSA-N 1 2 330.436 0.070 20 30 ECEDLO N#Cc1nc(C2CC2)oc1N1CCN(CC[NH+]2CCOCC2)CC1 ZINC000604538779 439319473 /nfs/dbraw/zinc/31/94/73/439319473.db2.gz CECPDLSFWUXRFP-UHFFFAOYSA-N 1 2 331.420 0.878 20 30 ECEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCN2CCOCC2)CC1 ZINC000604538779 439319480 /nfs/dbraw/zinc/31/94/80/439319480.db2.gz CECPDLSFWUXRFP-UHFFFAOYSA-N 1 2 331.420 0.878 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)CC(CC)(CC)CC2=O)CC1 ZINC000491020392 439324356 /nfs/dbraw/zinc/32/43/56/439324356.db2.gz GBCVMDYGEHRHED-UHFFFAOYSA-N 1 2 333.432 0.719 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000490799912 439300989 /nfs/dbraw/zinc/30/09/89/439300989.db2.gz KJFMASWLQJDUHI-UHFFFAOYSA-N 1 2 333.344 0.760 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(CC(=O)OC)cc2)CC1 ZINC000490800969 439301002 /nfs/dbraw/zinc/30/10/02/439301002.db2.gz YVUKDACHPVJZLT-UHFFFAOYSA-N 1 2 330.384 0.558 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000490914328 439309468 /nfs/dbraw/zinc/30/94/68/439309468.db2.gz HJYGXTDYVKCJGD-MUJYYYPQSA-N 1 2 335.448 0.474 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000490914328 439309473 /nfs/dbraw/zinc/30/94/73/439309473.db2.gz HJYGXTDYVKCJGD-MUJYYYPQSA-N 1 2 335.448 0.474 20 30 ECEDLO C#CCn1ccc(C[N@H+](CC)C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)n1 ZINC000491285818 439362676 /nfs/dbraw/zinc/36/26/76/439362676.db2.gz FQQNYPYGLUWTNX-BQFCYCMXSA-N 1 2 334.464 0.808 20 30 ECEDLO C#CCn1ccc(C[N@@H+](CC)C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)n1 ZINC000491285818 439362681 /nfs/dbraw/zinc/36/26/81/439362681.db2.gz FQQNYPYGLUWTNX-BQFCYCMXSA-N 1 2 334.464 0.808 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)N[C@](CCC)(C3CC3)C2=O)CC1 ZINC000491154665 439340283 /nfs/dbraw/zinc/34/02/83/439340283.db2.gz LCUKTOPUHYSWCL-GOSISDBHSA-N 1 2 346.431 0.265 20 30 ECEDLO C#CCn1ccc(CN(CCOC)C(=O)CCc2c[nH+]cn2C)n1 ZINC000491165468 439341862 /nfs/dbraw/zinc/34/18/62/439341862.db2.gz LFASCPFHAPSBBL-UHFFFAOYSA-N 1 2 329.404 0.858 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000491209894 439350146 /nfs/dbraw/zinc/35/01/46/439350146.db2.gz NGODQVMLUZYDEX-INIZCTEOSA-N 1 2 334.464 0.000 20 30 ECEDLO C#CCn1ccc(CN(CC)C(=S)NCC[NH+]2CCOCC2)n1 ZINC000491361362 439372706 /nfs/dbraw/zinc/37/27/06/439372706.db2.gz KXYNSDDTAXSESA-UHFFFAOYSA-N 1 2 335.477 0.545 20 30 ECEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000599195526 439379946 /nfs/dbraw/zinc/37/99/46/439379946.db2.gz SGPYCOQELMEZFR-HNNXBMFYSA-N 1 2 344.419 0.115 20 30 ECEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000599195526 439379951 /nfs/dbraw/zinc/37/99/51/439379951.db2.gz SGPYCOQELMEZFR-HNNXBMFYSA-N 1 2 344.419 0.115 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@H](C(F)(F)F)OC(C)(C)C2)CC1 ZINC000491494483 439393343 /nfs/dbraw/zinc/39/33/43/439393343.db2.gz CWQNFVVMBBBBPG-CYBMUJFWSA-N 1 2 347.381 0.806 20 30 ECEDLO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000593530815 439394170 /nfs/dbraw/zinc/39/41/70/439394170.db2.gz MPIWUWJBDQWAEK-LLVKDONJSA-N 1 2 348.384 0.908 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(CO)c2)CC1 ZINC000491627053 439414634 /nfs/dbraw/zinc/41/46/34/439414634.db2.gz JNVWIMAUWXJPCI-UHFFFAOYSA-N 1 2 333.344 0.243 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CC(=O)N(CC)C2CCCCC2)CC1 ZINC000491671556 439425097 /nfs/dbraw/zinc/42/50/97/439425097.db2.gz NRTLYRRUHNQKAE-UHFFFAOYSA-N 1 2 348.491 0.535 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2nc3c(s2)CCC3)CC1 ZINC000491700821 439429619 /nfs/dbraw/zinc/42/96/19/439429619.db2.gz WBTZXMPQFLUIRS-UHFFFAOYSA-N 1 2 346.456 0.529 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2nc3c(s2)CCC3)CC1 ZINC000491700821 439429622 /nfs/dbraw/zinc/42/96/22/439429622.db2.gz WBTZXMPQFLUIRS-UHFFFAOYSA-N 1 2 346.456 0.529 20 30 ECEDLO C#CCN1C(=O)C[C@H]([N@@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)C1=O ZINC000491726375 439434321 /nfs/dbraw/zinc/43/43/21/439434321.db2.gz JIOQWEWTHZJNQC-RWMBFGLXSA-N 1 2 348.305 0.550 20 30 ECEDLO C#CCN1C(=O)C[C@H]([N@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)C1=O ZINC000491726375 439434327 /nfs/dbraw/zinc/43/43/27/439434327.db2.gz JIOQWEWTHZJNQC-RWMBFGLXSA-N 1 2 348.305 0.550 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000491746649 439439039 /nfs/dbraw/zinc/43/90/39/439439039.db2.gz OWPSEHINXPOBFH-UHFFFAOYSA-N 1 2 346.387 0.341 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](CN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000491753182 439441146 /nfs/dbraw/zinc/44/11/46/439441146.db2.gz NXQNOFPHUNIOPY-UHFFFAOYSA-N 1 2 346.431 0.660 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O ZINC000570687514 439441676 /nfs/dbraw/zinc/44/16/76/439441676.db2.gz MGRITGRGAHSNHJ-QGZVFWFLSA-N 1 2 343.387 0.452 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2cc(C#N)ccc2OC)CC1 ZINC000491751827 439442128 /nfs/dbraw/zinc/44/21/28/439442128.db2.gz UZZYAGUMGULJBP-UHFFFAOYSA-N 1 2 326.400 0.434 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](Cc2cc(C#N)ccc2OC)CC1 ZINC000491751827 439442131 /nfs/dbraw/zinc/44/21/31/439442131.db2.gz UZZYAGUMGULJBP-UHFFFAOYSA-N 1 2 326.400 0.434 20 30 ECEDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1cccc(C#N)n1)C2 ZINC000593701471 439447992 /nfs/dbraw/zinc/44/79/92/439447992.db2.gz VCNCLVOWQMJFGN-GFCCVEGCSA-N 1 2 325.372 0.738 20 30 ECEDLO Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)cc1C#N ZINC000599267076 439409466 /nfs/dbraw/zinc/40/94/66/439409466.db2.gz RDYXXKNTFFIFBG-UHFFFAOYSA-N 1 2 326.400 0.790 20 30 ECEDLO Cn1ncc2cc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)cnc21 ZINC000531339488 439510687 /nfs/dbraw/zinc/51/06/87/439510687.db2.gz SZFHXCLUGMWCRY-UHFFFAOYSA-N 1 2 342.403 0.656 20 30 ECEDLO N#CCN1CCC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000530882095 439503469 /nfs/dbraw/zinc/50/34/69/439503469.db2.gz CDAOLNGUFRMMKH-CYBMUJFWSA-N 1 2 325.376 0.628 20 30 ECEDLO COCC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@@H](O)C(F)(F)F ZINC000594017552 439507212 /nfs/dbraw/zinc/50/72/12/439507212.db2.gz HMMLNFYIUMXMPG-DGCLKSJQSA-N 1 2 337.342 0.666 20 30 ECEDLO COCC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@@H](O)C(F)(F)F ZINC000594017552 439507214 /nfs/dbraw/zinc/50/72/14/439507214.db2.gz HMMLNFYIUMXMPG-DGCLKSJQSA-N 1 2 337.342 0.666 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000599633342 439521828 /nfs/dbraw/zinc/52/18/28/439521828.db2.gz RATMIJMUCDRICJ-MCIONIFRSA-N 1 2 327.450 0.646 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000599633342 439521830 /nfs/dbraw/zinc/52/18/30/439521830.db2.gz RATMIJMUCDRICJ-MCIONIFRSA-N 1 2 327.450 0.646 20 30 ECEDLO CC[C@H](CC#N)NC(=O)[C@@H]1OCC(=O)N(CC)[C@H]1c1[nH+]ccn1C ZINC000599760967 439553276 /nfs/dbraw/zinc/55/32/76/439553276.db2.gz UJVYXYIORJDHAT-MRVWCRGKSA-N 1 2 333.392 0.517 20 30 ECEDLO COc1ncc(/C=C\C(=O)N(CCC#N)CC[NH+]2CCOCC2)cn1 ZINC000492684140 439559550 /nfs/dbraw/zinc/55/95/50/439559550.db2.gz UMIRSWCSTOUMQL-ARJAWSKDSA-N 1 2 345.403 0.573 20 30 ECEDLO N#CCC(=O)N1CC[NH+](CCc2nnnn2-c2ccccc2)CC1 ZINC000584789059 439616516 /nfs/dbraw/zinc/61/65/16/439616516.db2.gz VNTKNRATRKQVEX-UHFFFAOYSA-N 1 2 325.376 0.263 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccccc2CC#N)[C@@H](C)C1 ZINC000585708403 439645035 /nfs/dbraw/zinc/64/50/35/439645035.db2.gz SGUSCCGKFMLMAC-KBPBESRZSA-N 1 2 337.445 0.828 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccccc2CC#N)[C@@H](C)C1 ZINC000585708403 439645038 /nfs/dbraw/zinc/64/50/38/439645038.db2.gz SGUSCCGKFMLMAC-KBPBESRZSA-N 1 2 337.445 0.828 20 30 ECEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000600427546 439655556 /nfs/dbraw/zinc/65/55/56/439655556.db2.gz ZIRBUAPSIXNUTP-CYBMUJFWSA-N 1 2 332.404 0.655 20 30 ECEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000600427546 439655560 /nfs/dbraw/zinc/65/55/60/439655560.db2.gz ZIRBUAPSIXNUTP-CYBMUJFWSA-N 1 2 332.404 0.655 20 30 ECEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000595124853 439657617 /nfs/dbraw/zinc/65/76/17/439657617.db2.gz GALZVHSEDUVMNR-NEPJUHHUSA-N 1 2 331.376 0.117 20 30 ECEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000595124853 439657621 /nfs/dbraw/zinc/65/76/21/439657621.db2.gz GALZVHSEDUVMNR-NEPJUHHUSA-N 1 2 331.376 0.117 20 30 ECEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595149179 439661939 /nfs/dbraw/zinc/66/19/39/439661939.db2.gz AHQWYLKLUYCKLW-HNNXBMFYSA-N 1 2 342.399 0.738 20 30 ECEDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)NC[C@H](C)C#N ZINC000611624196 439711539 /nfs/dbraw/zinc/71/15/39/439711539.db2.gz RWDVGBIHKDRAPK-IAQYHMDHSA-N 1 2 340.387 0.985 20 30 ECEDLO N#CCCN1CC[NH+](CC(=O)NCCCN2CCCCCC2=O)CC1 ZINC000611175418 439677846 /nfs/dbraw/zinc/67/78/46/439677846.db2.gz FRWQJEOFWGIWOE-UHFFFAOYSA-N 1 2 349.479 0.427 20 30 ECEDLO Cn1c2ncn(CC[N@@H+]3CCC[C@@](C)(C#N)C3)c2c(=O)n(C)c1=O ZINC000612164821 439681477 /nfs/dbraw/zinc/68/14/77/439681477.db2.gz GKVYTMAOWDZCKD-INIZCTEOSA-N 1 2 330.392 0.059 20 30 ECEDLO Cn1c2ncn(CC[N@H+]3CCC[C@@](C)(C#N)C3)c2c(=O)n(C)c1=O ZINC000612164821 439681482 /nfs/dbraw/zinc/68/14/82/439681482.db2.gz GKVYTMAOWDZCKD-INIZCTEOSA-N 1 2 330.392 0.059 20 30 ECEDLO CN1CC(=O)N(CC[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)C1=O ZINC000595287321 439690968 /nfs/dbraw/zinc/69/09/68/439690968.db2.gz PTIAXPXQURVNBO-UHFFFAOYSA-N 1 2 341.415 0.570 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000574209722 439691432 /nfs/dbraw/zinc/69/14/32/439691432.db2.gz FZQNDIMDJBHILY-DCGLDWPTSA-N 1 2 334.420 0.512 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)N1CC[C@H]([N@H+](C)Cc2nccc(N)n2)C1 ZINC000614784162 439786960 /nfs/dbraw/zinc/78/69/60/439786960.db2.gz WSRWXJPWXOKQSA-ZDUSSCGKSA-N 1 2 339.403 0.615 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)N1CC[C@H]([N@@H+](C)Cc2nccc(N)n2)C1 ZINC000614784162 439786961 /nfs/dbraw/zinc/78/69/61/439786961.db2.gz WSRWXJPWXOKQSA-ZDUSSCGKSA-N 1 2 339.403 0.615 20 30 ECEDLO CC1(C)CN(S(=O)(=O)Cc2cccc(C#N)c2)CC[N@@H+]1CCO ZINC000614853884 439789072 /nfs/dbraw/zinc/78/90/72/439789072.db2.gz MMUUDSJQEIATHQ-UHFFFAOYSA-N 1 2 337.445 0.777 20 30 ECEDLO CC1(C)CN(S(=O)(=O)Cc2cccc(C#N)c2)CC[N@H+]1CCO ZINC000614853884 439789073 /nfs/dbraw/zinc/78/90/73/439789073.db2.gz MMUUDSJQEIATHQ-UHFFFAOYSA-N 1 2 337.445 0.777 20 30 ECEDLO C[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000616425563 439817480 /nfs/dbraw/zinc/81/74/80/439817480.db2.gz SCARDCPWARIACN-ABAIWWIYSA-N 1 2 341.408 0.836 20 30 ECEDLO C[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000616425563 439817481 /nfs/dbraw/zinc/81/74/81/439817481.db2.gz SCARDCPWARIACN-ABAIWWIYSA-N 1 2 341.408 0.836 20 30 ECEDLO C=C(C)CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000656375770 440792836 /nfs/dbraw/zinc/79/28/36/440792836.db2.gz MBEQWMXABHOGLQ-UHFFFAOYSA-N 1 2 347.462 0.473 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2c(C)nn(C)c2C)nn1 ZINC000640877778 441018527 /nfs/dbraw/zinc/01/85/27/441018527.db2.gz JXWYTCKETIVUKE-CYBMUJFWSA-N 1 2 329.408 0.941 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(-c3ccnn3C)nn2)CC1 ZINC000641269357 441084476 /nfs/dbraw/zinc/08/44/76/441084476.db2.gz PWXONDUHBZBTRG-UHFFFAOYSA-N 1 2 341.419 0.301 20 30 ECEDLO N#Cc1ccncc1N1CC[NH+](CC2CCS(=O)(=O)CC2)CC1 ZINC000560454722 322242675 /nfs/dbraw/zinc/24/26/75/322242675.db2.gz FOQZIDCOEJBMIS-UHFFFAOYSA-N 1 2 334.445 0.900 20 30 ECEDLO COC(=O)C(C)(C)N1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000570280685 322682364 /nfs/dbraw/zinc/68/23/64/322682364.db2.gz FFYXQGDIWOCVLX-UHFFFAOYSA-N 1 2 342.403 0.670 20 30 ECEDLO Cc1cc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)n(C)n1 ZINC000570741335 322698324 /nfs/dbraw/zinc/69/83/24/322698324.db2.gz ZPRIQMMPRNUBMJ-UHFFFAOYSA-N 1 2 327.388 0.642 20 30 ECEDLO C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000576293942 322805016 /nfs/dbraw/zinc/80/50/16/322805016.db2.gz VGIDZQJYFKKZLA-GOEBONIOSA-N 1 2 343.431 0.759 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2nc(C)sc2C)CC1 ZINC000178533254 526999683 /nfs/dbraw/zinc/99/96/83/526999683.db2.gz JWZYJJNEYFJZTJ-UHFFFAOYSA-N 1 2 334.445 0.657 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2nc(C)sc2C)CC1 ZINC000178533254 526999687 /nfs/dbraw/zinc/99/96/87/526999687.db2.gz JWZYJJNEYFJZTJ-UHFFFAOYSA-N 1 2 334.445 0.657 20 30 ECEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000181199649 528021882 /nfs/dbraw/zinc/02/18/82/528021882.db2.gz ORESLYUFOUJXBM-UHFFFAOYSA-N 1 2 331.420 0.903 20 30 ECEDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000181199649 528021887 /nfs/dbraw/zinc/02/18/87/528021887.db2.gz ORESLYUFOUJXBM-UHFFFAOYSA-N 1 2 331.420 0.903 20 30 ECEDLO C[C@H](NC(=O)NCC[NH+]1CCOCC1)C(=O)N1CCCC[C@@H]1C ZINC000329034477 546012435 /nfs/dbraw/zinc/01/24/35/546012435.db2.gz BYIANZMXBCBKEQ-KBPBESRZSA-N 1 2 326.441 0.612 20 30 ECEDLO Cc1ncc(C[NH+]2CCN(C(=O)NC[C@@H]3COCCO3)CC2)s1 ZINC000329445300 546024103 /nfs/dbraw/zinc/02/41/03/546024103.db2.gz LRKAWCUGZOMKHD-CYBMUJFWSA-N 1 2 340.449 0.899 20 30 ECEDLO CN(C)c1ccc(CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cn1 ZINC000329738726 546032933 /nfs/dbraw/zinc/03/29/33/546032933.db2.gz MXEXFHMAFDIMHC-HNNXBMFYSA-N 1 2 333.436 0.968 20 30 ECEDLO CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000329853575 546035810 /nfs/dbraw/zinc/03/58/10/546035810.db2.gz SDBKPRPDSCFBKM-LLVKDONJSA-N 1 2 327.410 0.037 20 30 ECEDLO C[C@H](CNC(=O)N1CCC(O[C@@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC000330155781 546039989 /nfs/dbraw/zinc/03/99/89/546039989.db2.gz OXSRAKNHSOAUHS-GDBMZVCRSA-N 1 2 341.452 0.891 20 30 ECEDLO Cc1nccnc1N1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000619651892 546354935 /nfs/dbraw/zinc/35/49/35/546354935.db2.gz XKQFOWNVKOGSAM-CQSZACIVSA-N 1 2 328.420 0.858 20 30 ECEDLO C=C[C@@H]([NH2+]C[C@@H]1CCn2ncc(C(=O)NC(C)C)c2C1)C(=O)OC ZINC000619703682 546358924 /nfs/dbraw/zinc/35/89/24/546358924.db2.gz QQJRMHBNGXOPAM-TZMCWYRMSA-N 1 2 334.420 0.901 20 30 ECEDLO C=C1CCN(C(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2[nH+]ccn2C)CC1 ZINC000625288112 547062087 /nfs/dbraw/zinc/06/20/87/547062087.db2.gz ZCWLOPHMLAGKRO-GJZGRUSLSA-N 1 2 332.404 0.887 20 30 ECEDLO C=C[C@](C)(O)C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000668248200 547609425 /nfs/dbraw/zinc/60/94/25/547609425.db2.gz FINYYPQNDGXPJC-KRWDZBQOSA-N 1 2 332.404 0.337 20 30 ECEDLO C=C[C@@H](O)C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000668483987 547665122 /nfs/dbraw/zinc/66/51/22/547665122.db2.gz ZQNHXPYYFOBRTA-OAHLLOKOSA-N 1 2 335.379 0.247 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3cncc4ncnn43)CC2)C1=O ZINC000685004944 549644875 /nfs/dbraw/zinc/64/48/75/549644875.db2.gz XWJIKLQFAXIDKO-CYBMUJFWSA-N 1 2 327.392 0.033 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cncc(C)c3)C[C@H]2O)cn1 ZINC001078032363 782179780 /nfs/dbraw/zinc/17/97/80/782179780.db2.gz KFDXDQXFGIDSCH-QZTJIDSGSA-N 1 2 336.395 0.741 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cncc(C)c3)C[C@H]2O)cn1 ZINC001078032363 782179785 /nfs/dbraw/zinc/17/97/85/782179785.db2.gz KFDXDQXFGIDSCH-QZTJIDSGSA-N 1 2 336.395 0.741 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2cn(CC(OCC)OCC)nn2)CC1 ZINC000748569382 579326658 /nfs/dbraw/zinc/32/66/58/579326658.db2.gz AJKHPVVYOZPVHY-UHFFFAOYSA-N 1 2 349.435 0.458 20 30 ECEDLO C[C@@]1(O)CC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000748832006 579329836 /nfs/dbraw/zinc/32/98/36/579329836.db2.gz CRZMZUOYHRHUKR-SJKOYZFVSA-N 1 2 326.356 0.968 20 30 ECEDLO C[C@@]1(O)CC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000748832006 579329837 /nfs/dbraw/zinc/32/98/37/579329837.db2.gz CRZMZUOYHRHUKR-SJKOYZFVSA-N 1 2 326.356 0.968 20 30 ECEDLO C=CCNC(=O)NC(=O)COC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000748468408 579325108 /nfs/dbraw/zinc/32/51/08/579325108.db2.gz GTJQPVGYDMKCGR-CQSZACIVSA-N 1 2 341.408 0.335 20 30 ECEDLO Cn1c(=O)c(C#N)c(N2CCC([N@H+](C)CC(F)F)CC2)n(C)c1=O ZINC000749288209 579336127 /nfs/dbraw/zinc/33/61/27/579336127.db2.gz ZARXPVFWROWQLE-UHFFFAOYSA-N 1 2 341.362 0.121 20 30 ECEDLO Cn1c(=O)c(C#N)c(N2CCC([N@@H+](C)CC(F)F)CC2)n(C)c1=O ZINC000749288209 579336128 /nfs/dbraw/zinc/33/61/28/579336128.db2.gz ZARXPVFWROWQLE-UHFFFAOYSA-N 1 2 341.362 0.121 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000755954221 579442423 /nfs/dbraw/zinc/44/24/23/579442423.db2.gz NQZGAMCXABHOIR-QRQCRPRQSA-N 1 2 327.494 0.572 20 30 ECEDLO C#CCNC(=S)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000758219068 579468827 /nfs/dbraw/zinc/46/88/27/579468827.db2.gz UGADJGNKIKUNAM-UHFFFAOYSA-N 1 2 333.457 0.995 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 ZINC000732072472 578318825 /nfs/dbraw/zinc/31/88/25/578318825.db2.gz IDSCJXDOXFRMSZ-HNNXBMFYSA-N 1 2 342.399 0.328 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 ZINC000732072472 578318826 /nfs/dbraw/zinc/31/88/26/578318826.db2.gz IDSCJXDOXFRMSZ-HNNXBMFYSA-N 1 2 342.399 0.328 20 30 ECEDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C[C@@H]21 ZINC000794963881 578602000 /nfs/dbraw/zinc/60/20/00/578602000.db2.gz MAEYTFFNPINVQD-FICVDOATSA-N 1 2 334.397 0.683 20 30 ECEDLO COC(=O)[C@H]1[C@@H]2C[N@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C[C@@H]21 ZINC000794963881 578602001 /nfs/dbraw/zinc/60/20/01/578602001.db2.gz MAEYTFFNPINVQD-FICVDOATSA-N 1 2 334.397 0.683 20 30 ECEDLO C[C@H]1CN(C(=O)C[NH+]2CCN(c3cnccc3C#N)CC2)CCO1 ZINC000795044442 578603233 /nfs/dbraw/zinc/60/32/33/578603233.db2.gz ULAHQXZFFURRSU-AWEZNQCLSA-N 1 2 329.404 0.323 20 30 ECEDLO C#CCC[C@H](O)CNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000798383799 578644901 /nfs/dbraw/zinc/64/49/01/578644901.db2.gz CWAOUUBSNRQQEI-HOCLYGCPSA-N 1 2 341.477 0.268 20 30 ECEDLO CC1(C)CN(S(=O)(=O)c2cccc(F)c2C#N)CC[N@@H+]1CCO ZINC000780913404 578702502 /nfs/dbraw/zinc/70/25/02/578702502.db2.gz UHJLOPULTFGBKH-UHFFFAOYSA-N 1 2 341.408 0.775 20 30 ECEDLO CC1(C)CN(S(=O)(=O)c2cccc(F)c2C#N)CC[N@H+]1CCO ZINC000780913404 578702503 /nfs/dbraw/zinc/70/25/03/578702503.db2.gz UHJLOPULTFGBKH-UHFFFAOYSA-N 1 2 341.408 0.775 20 30 ECEDLO Cc1nc(F)ccc1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000782127439 578720474 /nfs/dbraw/zinc/72/04/74/578720474.db2.gz FHPFCPLKNJCPIJ-UHFFFAOYSA-N 1 2 325.413 0.659 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)NCc1ccc[nH+]c1N(C)C)[C@H]1CCCO1 ZINC000787632624 578811650 /nfs/dbraw/zinc/81/16/50/578811650.db2.gz DZGSAVBCEDFRGF-UONOGXRCSA-N 1 2 330.388 0.061 20 30 ECEDLO C=C(Br)CNC(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000787636639 578811973 /nfs/dbraw/zinc/81/19/73/578811973.db2.gz WFAPUQXTFHCCJM-UHFFFAOYSA-N 1 2 341.209 0.789 20 30 ECEDLO COc1cc(C=NNc2[nH+]ccn2C)cc(OC)c1OCC(N)=O ZINC000790300012 578871526 /nfs/dbraw/zinc/87/15/26/578871526.db2.gz MANVCXNISVQMAY-UHFFFAOYSA-N 1 2 333.348 0.747 20 30 ECEDLO COC(=O)[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793590030 578931593 /nfs/dbraw/zinc/93/15/93/578931593.db2.gz KLUKNNKHNUIUKW-ZIAGYGMSSA-N 1 2 344.371 0.385 20 30 ECEDLO COC(=O)[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793590030 578931594 /nfs/dbraw/zinc/93/15/94/578931594.db2.gz KLUKNNKHNUIUKW-ZIAGYGMSSA-N 1 2 344.371 0.385 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 ZINC000770173297 579161830 /nfs/dbraw/zinc/16/18/30/579161830.db2.gz MUYWATXZAYBPBA-CABCVRRESA-N 1 2 340.383 0.473 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 ZINC000770173297 579161832 /nfs/dbraw/zinc/16/18/32/579161832.db2.gz MUYWATXZAYBPBA-CABCVRRESA-N 1 2 340.383 0.473 20 30 ECEDLO C[NH+]1CCN(c2ccc(C=[NH+][N-]c3ccc(C(N)=O)nn3)cc2)CC1 ZINC000771558070 579190528 /nfs/dbraw/zinc/19/05/28/579190528.db2.gz UFBUGSJNPFHGLP-UHFFFAOYSA-N 1 2 339.403 0.773 20 30 ECEDLO N#CCOc1ccc(CC(=O)NC[C@@H]2CN3CC[N@@H+]2CCC3)cc1 ZINC000773530490 579228773 /nfs/dbraw/zinc/22/87/73/579228773.db2.gz MARCBSQVWQEJNJ-MRXNPFEDSA-N 1 2 328.416 0.638 20 30 ECEDLO N#CCOc1ccc(CC(=O)NC[C@@H]2CN3CC[N@H+]2CCC3)cc1 ZINC000773530490 579228775 /nfs/dbraw/zinc/22/87/75/579228775.db2.gz MARCBSQVWQEJNJ-MRXNPFEDSA-N 1 2 328.416 0.638 20 30 ECEDLO C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000775193108 579263930 /nfs/dbraw/zinc/26/39/30/579263930.db2.gz TVYHPZMBTFUGGY-LBPRGKRZSA-N 1 2 329.360 0.507 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)cn1 ZINC000778330535 579308297 /nfs/dbraw/zinc/30/82/97/579308297.db2.gz MCUKUDOPLLSUPX-KRWDZBQOSA-N 1 2 329.400 0.626 20 30 ECEDLO O=C(C#Cc1ccccc1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000778335846 579308374 /nfs/dbraw/zinc/30/83/74/579308374.db2.gz NOPOKYRAZZPXAT-SFHVURJKSA-N 1 2 328.412 0.988 20 30 ECEDLO CCOC(=O)[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000741246390 579769105 /nfs/dbraw/zinc/76/91/05/579769105.db2.gz GLXJZIMCGIKSJB-HOCLYGCPSA-N 1 2 334.372 0.562 20 30 ECEDLO CCOC(=O)[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000741246390 579769106 /nfs/dbraw/zinc/76/91/06/579769106.db2.gz GLXJZIMCGIKSJB-HOCLYGCPSA-N 1 2 334.372 0.562 20 30 ECEDLO C[NH+](C)CCCNC(=O)C[C@@H]1S/C(=N/C2CCCC2)NC1=O ZINC000743277167 579796186 /nfs/dbraw/zinc/79/61/86/579796186.db2.gz KIADHVDVOSZUGF-LBPRGKRZSA-N 1 2 326.466 0.975 20 30 ECEDLO COCc1cccc(C=NNC(=S)NCC[NH+]2CCOCC2)c1 ZINC000743425377 579797739 /nfs/dbraw/zinc/79/77/39/579797739.db2.gz INZHGAYEIJPIHH-UHFFFAOYSA-N 1 2 336.461 0.963 20 30 ECEDLO C[NH+]1CCN(S(=O)(=O)c2cccnc2N=NCc2cc[nH]c2)CC1 ZINC000745203641 579820057 /nfs/dbraw/zinc/82/00/57/579820057.db2.gz IUBMFVHSORLNHD-UHFFFAOYSA-N 1 2 348.432 0.792 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000746283565 579835263 /nfs/dbraw/zinc/83/52/63/579835263.db2.gz OSIQNPVQRFZMMN-NEPJUHHUSA-N 1 2 331.338 0.754 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000746283565 579835264 /nfs/dbraw/zinc/83/52/64/579835264.db2.gz OSIQNPVQRFZMMN-NEPJUHHUSA-N 1 2 331.338 0.754 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000746468871 579840036 /nfs/dbraw/zinc/84/00/36/579840036.db2.gz QPCRUYANMPQNIN-SWHMAYCHSA-N 1 2 342.509 0.425 20 30 ECEDLO C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000746473383 579840395 /nfs/dbraw/zinc/84/03/95/579840395.db2.gz IILOMYPTUSTMSB-LFPIHBKWSA-N 1 2 348.472 0.881 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(OC)cc(OC)c2)C1 ZINC000891606935 586181530 /nfs/dbraw/zinc/18/15/30/586181530.db2.gz QXDLVLJIKCXINS-CYBMUJFWSA-N 1 2 345.399 0.856 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(OC)cc(OC)c2)C1 ZINC000891606935 586181531 /nfs/dbraw/zinc/18/15/31/586181531.db2.gz QXDLVLJIKCXINS-CYBMUJFWSA-N 1 2 345.399 0.856 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(OC)cc(OC)c2)C1 ZINC000891606936 586181538 /nfs/dbraw/zinc/18/15/38/586181538.db2.gz QXDLVLJIKCXINS-ZDUSSCGKSA-N 1 2 345.399 0.856 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(OC)cc(OC)c2)C1 ZINC000891606936 586181539 /nfs/dbraw/zinc/18/15/39/586181539.db2.gz QXDLVLJIKCXINS-ZDUSSCGKSA-N 1 2 345.399 0.856 20 30 ECEDLO C#CCSCC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000896013484 586217547 /nfs/dbraw/zinc/21/75/47/586217547.db2.gz IRLPCDIYLVFXLM-UHFFFAOYSA-N 1 2 346.456 0.603 20 30 ECEDLO C#CCCCS(=O)(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000867442194 586328682 /nfs/dbraw/zinc/32/86/82/586328682.db2.gz XZELFISZAVCREH-CQSZACIVSA-N 1 2 327.450 0.014 20 30 ECEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)c1c(F)cncc1F ZINC000901130840 586696940 /nfs/dbraw/zinc/69/69/40/586696940.db2.gz XWZHFQMEDXKFIG-UHFFFAOYSA-N 1 2 343.403 0.880 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1ccc(S(C)(=O)=O)cc1 ZINC000905494019 586897907 /nfs/dbraw/zinc/89/79/07/586897907.db2.gz AEJZBZJGHJFXLT-MRXNPFEDSA-N 1 2 337.445 0.983 20 30 ECEDLO N#CCn1cc(NC(=O)c2cccn2CC[NH+]2CCOCC2)cn1 ZINC000906462990 586950000 /nfs/dbraw/zinc/95/00/00/586950000.db2.gz SVYNRLDNFLDNOR-UHFFFAOYSA-N 1 2 328.376 0.793 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=C1CCC12CCOCC2 ZINC000799867854 586960568 /nfs/dbraw/zinc/96/05/68/586960568.db2.gz HKBCYCRENRKOMJ-UHFFFAOYSA-N 1 2 326.466 0.729 20 30 ECEDLO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2ccc(C#N)cn2)C[C@H](C)O1 ZINC000906820879 586987813 /nfs/dbraw/zinc/98/78/13/586987813.db2.gz QYTPMAPSJXBXOW-BETUJISGSA-N 1 2 338.433 0.731 20 30 ECEDLO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(C#N)cn2)C[C@H](C)O1 ZINC000906820879 586987814 /nfs/dbraw/zinc/98/78/14/586987814.db2.gz QYTPMAPSJXBXOW-BETUJISGSA-N 1 2 338.433 0.731 20 30 ECEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(c2ccc(C#N)nc2)CC1 ZINC000801283240 586988872 /nfs/dbraw/zinc/98/88/72/586988872.db2.gz AHMRWYVTIWLHDT-MRXNPFEDSA-N 1 2 329.404 0.323 20 30 ECEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(c2ccc(C#N)nc2)CC1 ZINC000801283240 586988874 /nfs/dbraw/zinc/98/88/74/586988874.db2.gz AHMRWYVTIWLHDT-MRXNPFEDSA-N 1 2 329.404 0.323 20 30 ECEDLO C=CCN1CCN(C[N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)C1=O ZINC000839996773 587057273 /nfs/dbraw/zinc/05/72/73/587057273.db2.gz SQEXOQXVGBWGDB-LLVKDONJSA-N 1 2 334.342 0.963 20 30 ECEDLO C=CCN1CCN(C[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)C1=O ZINC000839996773 587057275 /nfs/dbraw/zinc/05/72/75/587057275.db2.gz SQEXOQXVGBWGDB-LLVKDONJSA-N 1 2 334.342 0.963 20 30 ECEDLO C#CCCCNC(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000806909934 587110839 /nfs/dbraw/zinc/11/08/39/587110839.db2.gz HOBUUFPRWCTMGS-OAHLLOKOSA-N 1 2 328.416 0.816 20 30 ECEDLO N#CCOc1cccc(CC(=O)NC[C@H]2CN3CC[N@@H+]2CCC3)c1 ZINC000808024639 587142501 /nfs/dbraw/zinc/14/25/01/587142501.db2.gz WJKVWEKUMWSSKM-INIZCTEOSA-N 1 2 328.416 0.638 20 30 ECEDLO N#CCOc1cccc(CC(=O)NC[C@H]2CN3CC[N@H+]2CCC3)c1 ZINC000808024639 587142503 /nfs/dbraw/zinc/14/25/03/587142503.db2.gz WJKVWEKUMWSSKM-INIZCTEOSA-N 1 2 328.416 0.638 20 30 ECEDLO C=CCc1cc(C[N@@H+]2CCN(CC(N)=O)C(=O)C2)c(O)c(OC)c1 ZINC000840160203 587170457 /nfs/dbraw/zinc/17/04/57/587170457.db2.gz UKMYTSJVGCSHHJ-UHFFFAOYSA-N 1 2 333.388 0.259 20 30 ECEDLO C=CCc1cc(C[N@H+]2CCN(CC(N)=O)C(=O)C2)c(O)c(OC)c1 ZINC000840160203 587170458 /nfs/dbraw/zinc/17/04/58/587170458.db2.gz UKMYTSJVGCSHHJ-UHFFFAOYSA-N 1 2 333.388 0.259 20 30 ECEDLO Cc1nn(C)c(N)c1C=[NH+]Nc1ccc(S(=O)(=O)NC2CC2)cn1 ZINC000814799874 587279156 /nfs/dbraw/zinc/27/91/56/587279156.db2.gz SWCILMMFEWZQHZ-UHFFFAOYSA-N 1 2 349.420 0.592 20 30 ECEDLO COCCOc1ccc(C#N)cc1NC[C@H](O)C[NH+]1CCOCC1 ZINC000819466611 587480089 /nfs/dbraw/zinc/48/00/89/587480089.db2.gz ADSKEGXSVFKBLL-HNNXBMFYSA-N 1 2 335.404 0.688 20 30 ECEDLO C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000820073605 587507326 /nfs/dbraw/zinc/50/73/26/587507326.db2.gz BOZDCXYXDRBAGY-CQSZACIVSA-N 1 2 345.447 0.269 20 30 ECEDLO C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000820073605 587507327 /nfs/dbraw/zinc/50/73/27/587507327.db2.gz BOZDCXYXDRBAGY-CQSZACIVSA-N 1 2 345.447 0.269 20 30 ECEDLO C#CCCN1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823845023 587745566 /nfs/dbraw/zinc/74/55/66/587745566.db2.gz NFXRAIDIQLDNGF-MRXNPFEDSA-N 1 2 326.404 0.541 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2cc(C(F)(F)F)nn2C)CC1 ZINC000824708874 587889583 /nfs/dbraw/zinc/88/95/83/587889583.db2.gz HKIKPGSFCGQQHE-UHFFFAOYSA-N 1 2 343.353 0.306 20 30 ECEDLO N#Cc1cc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)ccn1 ZINC000826383472 588037302 /nfs/dbraw/zinc/03/73/02/588037302.db2.gz BVZNIOYPMJYDQP-UHFFFAOYSA-N 1 2 347.386 0.851 20 30 ECEDLO C#Cc1cnc(N2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)nc1 ZINC000827360502 588115089 /nfs/dbraw/zinc/11/50/89/588115089.db2.gz KEHOGBNUBDVDCL-OAHLLOKOSA-N 1 2 327.432 0.981 20 30 ECEDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000828984346 588212482 /nfs/dbraw/zinc/21/24/82/588212482.db2.gz ZGZOTJUWHWSODC-HNNXBMFYSA-N 1 2 341.371 0.792 20 30 ECEDLO C#CC[C@@H]1CCC[N@@H+](CC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000829769649 588340743 /nfs/dbraw/zinc/34/07/43/588340743.db2.gz YOPPCSNQDBVZPA-CABCVRRESA-N 1 2 326.462 0.757 20 30 ECEDLO C#CC[C@@H]1CCC[N@H+](CC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000829769649 588340746 /nfs/dbraw/zinc/34/07/46/588340746.db2.gz YOPPCSNQDBVZPA-CABCVRRESA-N 1 2 326.462 0.757 20 30 ECEDLO COC(=O)C1(C#N)CC[NH+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000831691505 588442108 /nfs/dbraw/zinc/44/21/08/588442108.db2.gz PEIRKBOHEPJEFW-GJZGRUSLSA-N 1 2 349.431 0.935 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2[C@H](C)CC[C@@H]2C(=O)OC(C)(C)C)CC1 ZINC000844366124 589109263 /nfs/dbraw/zinc/10/92/63/589109263.db2.gz OVJGVGYSUUPOBJ-HZPDHXFCSA-N 1 2 349.475 0.958 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C(=O)OC(C)(C)C)CC1 ZINC000844366124 589109265 /nfs/dbraw/zinc/10/92/65/589109265.db2.gz OVJGVGYSUUPOBJ-HZPDHXFCSA-N 1 2 349.475 0.958 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C(=O)OC(C)(C)C)CC1 ZINC000844366124 589109267 /nfs/dbraw/zinc/10/92/67/589109267.db2.gz OVJGVGYSUUPOBJ-HZPDHXFCSA-N 1 2 349.475 0.958 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)CCO1 ZINC000844943666 589126479 /nfs/dbraw/zinc/12/64/79/589126479.db2.gz PRXSBOSMRCLGQN-RHSMWYFYSA-N 1 2 346.431 0.954 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)CCO1 ZINC000844943666 589126480 /nfs/dbraw/zinc/12/64/80/589126480.db2.gz PRXSBOSMRCLGQN-RHSMWYFYSA-N 1 2 346.431 0.954 20 30 ECEDLO CCOC(=O)CON=C(C(=O)NC(C)(C)c1[nH]cc[nH+]1)c1cc[nH]n1 ZINC000846245358 589193331 /nfs/dbraw/zinc/19/33/31/589193331.db2.gz WINGFYAXPFXTRU-UHFFFAOYSA-N 1 2 348.363 0.468 20 30 ECEDLO C=C[C@@H](C)ONC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000846544844 589211187 /nfs/dbraw/zinc/21/11/87/589211187.db2.gz KJHDSDAXBSNRJO-ZIAGYGMSSA-N 1 2 325.409 0.322 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(CC(=O)OC(C)(C)C)C2CCC2)CC1 ZINC000847086600 589235039 /nfs/dbraw/zinc/23/50/39/589235039.db2.gz MSIVHYYATPKXPC-UHFFFAOYSA-N 1 2 349.475 0.960 20 30 ECEDLO CS(=O)(=O)NCC(=NNCCCn1cc[nH+]c1)c1ccccc1 ZINC000848417920 589292741 /nfs/dbraw/zinc/29/27/41/589292741.db2.gz HFNGCBKCZRMNOS-UHFFFAOYSA-N 1 2 335.433 0.816 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(CC(=O)OCc2ccccc2)CC1 ZINC000108357406 589322493 /nfs/dbraw/zinc/32/24/93/589322493.db2.gz NVMWUCGIQPBZCW-UHFFFAOYSA-N 1 2 331.416 0.650 20 30 ECEDLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)CC1(C#N)CCOCC1 ZINC000851101199 589395443 /nfs/dbraw/zinc/39/54/43/589395443.db2.gz AIDDRUJDFFCOQI-CABCVRRESA-N 1 2 340.420 0.976 20 30 ECEDLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)CC1(C#N)CCOCC1 ZINC000851101199 589395445 /nfs/dbraw/zinc/39/54/45/589395445.db2.gz AIDDRUJDFFCOQI-CABCVRRESA-N 1 2 340.420 0.976 20 30 ECEDLO CCCCCC[C@@](O)(C[NH+]1CCN(C(=O)CC#N)CC1)C(=O)OC ZINC000852125667 589445021 /nfs/dbraw/zinc/44/50/21/589445021.db2.gz MYMZPOVRDXVPBU-QGZVFWFLSA-N 1 2 339.436 0.919 20 30 ECEDLO C[C@@H]1CCc2ccccc2N1C(=O)CO[NH+]=C(N)CN1CCOCC1 ZINC000111181960 589538332 /nfs/dbraw/zinc/53/83/32/589538332.db2.gz IYWSHNZINJXHOB-CQSZACIVSA-N 1 2 346.431 0.975 20 30 ECEDLO C[C@@H](NC(=O)CO[NH+]=C(N)CN1CCOCC1)c1ccc(F)cc1 ZINC000111182237 589538336 /nfs/dbraw/zinc/53/83/36/589538336.db2.gz RFCFQYDPNUMAMX-GFCCVEGCSA-N 1 2 338.383 0.624 20 30 ECEDLO COC(=O)CCN1CC[C@@H](O[NH+]=C(N)c2ccc(OC)cc2)C1=O ZINC000853654350 589553807 /nfs/dbraw/zinc/55/38/07/589553807.db2.gz HAONVNDHYXDIEI-CYBMUJFWSA-N 1 2 335.360 0.496 20 30 ECEDLO C#CCCCNC(=O)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000853798048 589559208 /nfs/dbraw/zinc/55/92/08/589559208.db2.gz BKVNHHMZZJRGFE-LJQANCHMSA-N 1 2 345.443 0.963 20 30 ECEDLO C#CCCCNC(=O)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000853798048 589559209 /nfs/dbraw/zinc/55/92/09/589559209.db2.gz BKVNHHMZZJRGFE-LJQANCHMSA-N 1 2 345.443 0.963 20 30 ECEDLO C#CCN(CC(=O)NCc1c[nH+]c(C)nc1N)C(=O)OC(C)(C)C ZINC000854429620 589585737 /nfs/dbraw/zinc/58/57/37/589585737.db2.gz IQOMTXNXKLQFQO-UHFFFAOYSA-N 1 2 333.392 0.854 20 30 ECEDLO C=C[C@@H](O)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000854484894 589589305 /nfs/dbraw/zinc/58/93/05/589589305.db2.gz QTBPFJXAQPRUGI-ZIAGYGMSSA-N 1 2 339.436 0.687 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000856078726 589653876 /nfs/dbraw/zinc/65/38/76/589653876.db2.gz XNYGKIWOSHYHKB-QFBILLFUSA-N 1 2 346.427 0.404 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000856078726 589653878 /nfs/dbraw/zinc/65/38/78/589653878.db2.gz XNYGKIWOSHYHKB-QFBILLFUSA-N 1 2 346.427 0.404 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2Cc3ccccc3NC(=O)[C@H]2C)CC1 ZINC000857922438 589716703 /nfs/dbraw/zinc/71/67/03/589716703.db2.gz JYEPNUGGAPCLEX-OAHLLOKOSA-N 1 2 340.427 0.607 20 30 ECEDLO O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCn2c[nH+]cc21 ZINC000857991218 589721881 /nfs/dbraw/zinc/72/18/81/589721881.db2.gz VUFNHIYRXKYPFV-LLVKDONJSA-N 1 2 345.384 0.183 20 30 ECEDLO N#CC1(C[C@@H](O)C[N@H+]2Cc3ccccc3C[C@H]2C(N)=O)CCOCC1 ZINC000859069544 589797338 /nfs/dbraw/zinc/79/73/38/589797338.db2.gz QSFHQZFXRUHRIG-SJORKVTESA-N 1 2 343.427 0.970 20 30 ECEDLO N#CC1(C[C@@H](O)C[N@@H+]2Cc3ccccc3C[C@H]2C(N)=O)CCOCC1 ZINC000859069544 589797341 /nfs/dbraw/zinc/79/73/41/589797341.db2.gz QSFHQZFXRUHRIG-SJORKVTESA-N 1 2 343.427 0.970 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000868819586 589929017 /nfs/dbraw/zinc/92/90/17/589929017.db2.gz XAXHPNGGXFNAOR-INIZCTEOSA-N 1 2 345.447 0.775 20 30 ECEDLO Cc1cc(C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)ncc1C#N ZINC000870058495 589992484 /nfs/dbraw/zinc/99/24/84/589992484.db2.gz RFSGBJCJAIUEID-HNNXBMFYSA-N 1 2 330.388 0.435 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cc(C#N)c3ccsc3c2=O)CC1 ZINC000863375722 590010061 /nfs/dbraw/zinc/01/00/61/590010061.db2.gz BLIOCKVLRORWCQ-UHFFFAOYSA-N 1 2 340.408 0.712 20 30 ECEDLO C#CCOCCC(=O)O[C@@H]1C[C@@H]2C(=O)NCc3ccc[nH+]c3N2C1 ZINC000870521507 590021381 /nfs/dbraw/zinc/02/13/81/590021381.db2.gz NJZMDVLCYXPOQM-ZIAGYGMSSA-N 1 2 329.356 0.242 20 30 ECEDLO N#Cc1cccnc1N1CCN(C(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000864659464 590091429 /nfs/dbraw/zinc/09/14/29/590091429.db2.gz KWCXYRRVWNARAF-DUXPYHPUSA-N 1 2 341.415 0.490 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccsc2COC)CC1 ZINC000865177971 590129910 /nfs/dbraw/zinc/12/99/10/590129910.db2.gz OZOHQQXPTQPKCF-UHFFFAOYSA-N 1 2 349.456 0.792 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccsc2COC)CC1 ZINC000865177971 590129911 /nfs/dbraw/zinc/12/99/11/590129911.db2.gz OZOHQQXPTQPKCF-UHFFFAOYSA-N 1 2 349.456 0.792 20 30 ECEDLO N#Cc1cc(C(F)(F)F)cc(N2CCC[N@@H+](CC(N)=O)CC2)n1 ZINC000865456526 590146261 /nfs/dbraw/zinc/14/62/61/590146261.db2.gz XPROKISIQNRKSW-UHFFFAOYSA-N 1 2 327.310 0.969 20 30 ECEDLO N#Cc1cc(C(F)(F)F)cc(N2CCC[N@H+](CC(N)=O)CC2)n1 ZINC000865456526 590146264 /nfs/dbraw/zinc/14/62/64/590146264.db2.gz XPROKISIQNRKSW-UHFFFAOYSA-N 1 2 327.310 0.969 20 30 ECEDLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cc(C#N)c(F)cc2C)CC1 ZINC000873748447 590199909 /nfs/dbraw/zinc/19/99/09/590199909.db2.gz CRGUBTWDMPEYRR-UHFFFAOYSA-N 1 2 348.378 0.735 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000874468792 590243024 /nfs/dbraw/zinc/24/30/24/590243024.db2.gz RJGOXVPUQZMOMX-UHFFFAOYSA-N 1 2 335.429 0.279 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000875022210 590263262 /nfs/dbraw/zinc/26/32/62/590263262.db2.gz HACLDZNCLFBLHV-AWEZNQCLSA-N 1 2 328.372 0.148 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000875118183 590272893 /nfs/dbraw/zinc/27/28/93/590272893.db2.gz QKCGLMZLIWUOFB-CQSZACIVSA-N 1 2 349.456 0.377 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000875118183 590272894 /nfs/dbraw/zinc/27/28/94/590272894.db2.gz QKCGLMZLIWUOFB-CQSZACIVSA-N 1 2 349.456 0.377 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000875608954 590315942 /nfs/dbraw/zinc/31/59/42/590315942.db2.gz SUGDUPMDMHIODX-AWEZNQCLSA-N 1 2 349.456 0.547 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C2CCN(C(=O)N(CC)CC)CC2)CC1 ZINC000128210135 590370008 /nfs/dbraw/zinc/37/00/08/590370008.db2.gz VTBLAOSZAMXGCV-UHFFFAOYSA-N 1 2 334.464 0.938 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)c2ccc(S(C)(=O)=O)cc2)nn1 ZINC000881409831 590453294 /nfs/dbraw/zinc/45/32/94/590453294.db2.gz VAMUPSQWOYNRIB-INIZCTEOSA-N 1 2 348.428 0.528 20 30 ECEDLO C=CC[C@H](C(=O)OC)[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000878649250 590533257 /nfs/dbraw/zinc/53/32/57/590533257.db2.gz YUZIEQGKNDQNMR-CQSZACIVSA-N 1 2 342.417 0.762 20 30 ECEDLO C=CC[C@H](C(=O)OC)[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000878649250 590533260 /nfs/dbraw/zinc/53/32/60/590533260.db2.gz YUZIEQGKNDQNMR-CQSZACIVSA-N 1 2 342.417 0.762 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1ccc2c(c1)OCCO2 ZINC000884055508 590723496 /nfs/dbraw/zinc/72/34/96/590723496.db2.gz OOKMBRKZCAAAKF-ZDUSSCGKSA-N 1 2 334.372 0.863 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CC2(OC)CCOCC2)C1 ZINC000885508931 590729073 /nfs/dbraw/zinc/72/90/73/590729073.db2.gz NRKNRPIMBDYPPU-AWEZNQCLSA-N 1 2 330.450 0.199 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CC2(OC)CCOCC2)C1 ZINC000885508931 590729077 /nfs/dbraw/zinc/72/90/77/590729077.db2.gz NRKNRPIMBDYPPU-AWEZNQCLSA-N 1 2 330.450 0.199 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)C[C@@H](OC)[C@H]2CCOC2)C1 ZINC000885509843 590729087 /nfs/dbraw/zinc/72/90/87/590729087.db2.gz XWSKISAIGWHEJK-SOUVJXGZSA-N 1 2 330.450 0.055 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)C[C@@H](OC)[C@H]2CCOC2)C1 ZINC000885509843 590729092 /nfs/dbraw/zinc/72/90/92/590729092.db2.gz XWSKISAIGWHEJK-SOUVJXGZSA-N 1 2 330.450 0.055 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2csnc2C(=O)OC)C1 ZINC000885512078 590730182 /nfs/dbraw/zinc/73/01/82/590730182.db2.gz RJLXBEDWWYZZTA-JTQLQIEISA-N 1 2 343.430 0.306 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2csnc2C(=O)OC)C1 ZINC000885512078 590730185 /nfs/dbraw/zinc/73/01/85/590730185.db2.gz RJLXBEDWWYZZTA-JTQLQIEISA-N 1 2 343.430 0.306 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2csc(C(=O)OC)c2)C1 ZINC000885511419 590730525 /nfs/dbraw/zinc/73/05/25/590730525.db2.gz HZPBBIKWQBALQX-LLVKDONJSA-N 1 2 342.442 0.911 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2csc(C(=O)OC)c2)C1 ZINC000885511419 590730527 /nfs/dbraw/zinc/73/05/27/590730527.db2.gz HZPBBIKWQBALQX-LLVKDONJSA-N 1 2 342.442 0.911 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000884127005 590747963 /nfs/dbraw/zinc/74/79/63/590747963.db2.gz RFDGQAMHJCGPTG-LSDHHAIUSA-N 1 2 345.399 0.697 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](CC)N(C(C)=O)C[C@H]1CC ZINC000884157047 590756177 /nfs/dbraw/zinc/75/61/77/590756177.db2.gz REALTDNPCMAHHE-ZNMIVQPWSA-N 1 2 339.436 0.681 20 30 ECEDLO Cc1cn2ccc(C(=O)N3C[C@@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2[nH+]1 ZINC000886210391 590815322 /nfs/dbraw/zinc/81/53/22/590815322.db2.gz QAGVTAHYZOKBCI-CZUORRHYSA-N 1 2 344.396 0.653 20 30 ECEDLO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886297474 590827108 /nfs/dbraw/zinc/82/71/08/590827108.db2.gz SFISVATWXABQJP-RDBSUJKOSA-N 1 2 338.404 0.858 20 30 ECEDLO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886297474 590827110 /nfs/dbraw/zinc/82/71/10/590827110.db2.gz SFISVATWXABQJP-RDBSUJKOSA-N 1 2 338.404 0.858 20 30 ECEDLO COC(=O)[C@H]1CSCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000887079344 590939097 /nfs/dbraw/zinc/93/90/97/590939097.db2.gz PDQBAKGXECBCNQ-CHWSQXEVSA-N 1 2 328.434 0.648 20 30 ECEDLO COC(=O)[C@H]1CSCC[N@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000887079344 590939099 /nfs/dbraw/zinc/93/90/99/590939099.db2.gz PDQBAKGXECBCNQ-CHWSQXEVSA-N 1 2 328.434 0.648 20 30 ECEDLO C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC000922593538 611355203 /nfs/dbraw/zinc/35/52/03/611355203.db2.gz SDVLQLISYUIRNY-HUUCEWRRSA-N 1 2 341.477 0.739 20 30 ECEDLO C#Cc1ccc(NC(=O)CCN2CC[NH+](CC[S@@](C)=O)CC2)cc1 ZINC000929993276 611377159 /nfs/dbraw/zinc/37/71/59/611377159.db2.gz ILOVGLNJLYMWHD-XMMPIXPASA-N 1 2 347.484 0.993 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000948102396 611428572 /nfs/dbraw/zinc/42/85/72/611428572.db2.gz KVMWKZGGCAJZGV-CHWSQXEVSA-N 1 2 329.404 0.712 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC(NC(=O)Cc3[nH]cc[nH+]3)CC2)nn1 ZINC000946787101 611476464 /nfs/dbraw/zinc/47/64/64/611476464.db2.gz YVPOBGCJGBQEHG-UHFFFAOYSA-N 1 2 343.391 0.151 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC(NC(=O)Cc3c[nH]c[nH+]3)CC2)nn1 ZINC000946786941 611478374 /nfs/dbraw/zinc/47/83/74/611478374.db2.gz WWZPZVBOLRCBPE-UHFFFAOYSA-N 1 2 343.391 0.151 20 30 ECEDLO C=CCC[C@H]1NC(=O)N(C2CC[NH+](CCS(C)(=O)=O)CC2)C1=O ZINC000927491386 611606402 /nfs/dbraw/zinc/60/64/02/611606402.db2.gz BZJNIWNMOATANT-CYBMUJFWSA-N 1 2 343.449 0.382 20 30 ECEDLO C=C(Br)C[NH+]1CCC2(CC1)CN(C(=O)C(N)=O)CCO2 ZINC000949174063 608615437 /nfs/dbraw/zinc/61/54/37/608615437.db2.gz CSNPTLWIHLZGGO-UHFFFAOYSA-N 1 2 346.225 0.074 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cnon3)[C@H](C)C2)nn1 ZINC000947791423 608737830 /nfs/dbraw/zinc/73/78/30/608737830.db2.gz BZSZNBHQXYTEDX-VXGBXAGGSA-N 1 2 331.380 0.630 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnon3)[C@H](C)C2)nn1 ZINC000947791423 608737834 /nfs/dbraw/zinc/73/78/34/608737834.db2.gz BZSZNBHQXYTEDX-VXGBXAGGSA-N 1 2 331.380 0.630 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)OC(C)(C)C)C1 ZINC000932695628 611656808 /nfs/dbraw/zinc/65/68/08/611656808.db2.gz PCBMHCDZKCLPJN-MRXNPFEDSA-N 1 2 325.409 0.087 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)OC(C)(C)C)C1 ZINC000932695628 611656810 /nfs/dbraw/zinc/65/68/10/611656810.db2.gz PCBMHCDZKCLPJN-MRXNPFEDSA-N 1 2 325.409 0.087 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000928453905 608746206 /nfs/dbraw/zinc/74/62/06/608746206.db2.gz JJRKDKSUHGAIPX-WFASDCNBSA-N 1 2 335.429 0.682 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC000928453905 608746208 /nfs/dbraw/zinc/74/62/08/608746208.db2.gz JJRKDKSUHGAIPX-WFASDCNBSA-N 1 2 335.429 0.682 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3nncn3C)[C@@H](C)C2)c1 ZINC000947711918 611663321 /nfs/dbraw/zinc/66/33/21/611663321.db2.gz YYLPGYRXQNDYMU-XJKSGUPXSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3nncn3C)[C@@H](C)C2)c1 ZINC000947711918 611663324 /nfs/dbraw/zinc/66/33/24/611663324.db2.gz YYLPGYRXQNDYMU-XJKSGUPXSA-N 1 2 338.415 0.974 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000947205328 608919499 /nfs/dbraw/zinc/91/94/99/608919499.db2.gz PBUYUPKVKFKTED-CMPLNLGQSA-N 1 2 343.391 0.091 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000947205328 608919501 /nfs/dbraw/zinc/91/95/01/608919501.db2.gz PBUYUPKVKFKTED-CMPLNLGQSA-N 1 2 343.391 0.091 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000937850107 609113976 /nfs/dbraw/zinc/11/39/76/609113976.db2.gz UUZRUGMTTSTEFJ-LBPRGKRZSA-N 1 2 326.360 0.193 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@H](CC#N)C(F)(F)F ZINC000932914732 611684186 /nfs/dbraw/zinc/68/41/86/611684186.db2.gz XVQUQQQZOBJLQI-GHMZBOCLSA-N 1 2 338.330 0.165 20 30 ECEDLO C[NH+](C)CC#CCNC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000913516180 609684719 /nfs/dbraw/zinc/68/47/19/609684719.db2.gz FGOKGXDRYNZBFA-UHFFFAOYSA-N 1 2 344.440 0.757 20 30 ECEDLO C#CCN(C)C(=O)C(=O)N1CC[NH+](Cc2ccc(CC)cc2)CC1 ZINC000910776589 609762209 /nfs/dbraw/zinc/76/22/09/609762209.db2.gz WCZHTPQGFOBREV-UHFFFAOYSA-N 1 2 327.428 0.985 20 30 ECEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CCC2)[C@H]([C@@H]2CCCO2)C1 ZINC000933185038 611713786 /nfs/dbraw/zinc/71/37/86/611713786.db2.gz ZZQSNFPMIXIHGT-ILXRZTDVSA-N 1 2 349.431 0.981 20 30 ECEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CCC2)[C@H]([C@@H]2CCCO2)C1 ZINC000933185038 611713788 /nfs/dbraw/zinc/71/37/88/611713788.db2.gz ZZQSNFPMIXIHGT-ILXRZTDVSA-N 1 2 349.431 0.981 20 30 ECEDLO C#CC[NH+](CC#C)C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000929757715 609821274 /nfs/dbraw/zinc/82/12/74/609821274.db2.gz KMKFGBMWEUMXTJ-AWEZNQCLSA-N 1 2 326.462 0.556 20 30 ECEDLO N#CCc1cccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000917061490 609959952 /nfs/dbraw/zinc/95/99/52/609959952.db2.gz KWQIJOMKBHWBDC-HNNXBMFYSA-N 1 2 334.445 0.421 20 30 ECEDLO N#CCc1cccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c1 ZINC000917061490 609959953 /nfs/dbraw/zinc/95/99/53/609959953.db2.gz KWQIJOMKBHWBDC-HNNXBMFYSA-N 1 2 334.445 0.421 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](N(C)C(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC000938967526 610058462 /nfs/dbraw/zinc/05/84/62/610058462.db2.gz ZWEQWAVTEQAABG-AWEZNQCLSA-N 1 2 337.383 0.702 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3csnn3)[C@@H](C)C2)nn1 ZINC000939277529 610146474 /nfs/dbraw/zinc/14/64/74/610146474.db2.gz QPQTUOSRDMNFKY-JQWIXIFHSA-N 1 2 333.421 0.566 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000939910723 610165769 /nfs/dbraw/zinc/16/57/69/610165769.db2.gz OAPZTURKCJCAAE-ZNMIVQPWSA-N 1 2 332.404 0.603 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCc3ccncn3)CC2)C1 ZINC000941427282 610301238 /nfs/dbraw/zinc/30/12/38/610301238.db2.gz TYZWKCMZWCSSCK-UHFFFAOYSA-N 1 2 327.432 0.261 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCCN3C(=O)CC)CC2)C1 ZINC000941422364 610307800 /nfs/dbraw/zinc/30/78/00/610307800.db2.gz LLVUEDMLELTYIX-KRWDZBQOSA-N 1 2 346.475 0.239 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3cc(C4CC4)no3)CC2)C1 ZINC000941433146 610313062 /nfs/dbraw/zinc/31/30/62/610313062.db2.gz OOQBYVUJABKCHK-UHFFFAOYSA-N 1 2 328.416 0.556 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnn4ccncc34)CC2)C1 ZINC000941438052 610315368 /nfs/dbraw/zinc/31/53/68/610315368.db2.gz ISMNNJSPKCWWDZ-UHFFFAOYSA-N 1 2 338.415 0.195 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CC(=C)C)C2)CC1 ZINC000941440219 610316406 /nfs/dbraw/zinc/31/64/06/610316406.db2.gz DDQKGSDZRWMPBT-SFHVURJKSA-N 1 2 330.476 0.489 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2CN(CC(=C)C)C2)CC1 ZINC000941440219 610316408 /nfs/dbraw/zinc/31/64/08/610316408.db2.gz DDQKGSDZRWMPBT-SFHVURJKSA-N 1 2 330.476 0.489 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2CN(CC(=C)C)C2)CC1 ZINC000941440219 610316409 /nfs/dbraw/zinc/31/64/09/610316409.db2.gz DDQKGSDZRWMPBT-SFHVURJKSA-N 1 2 330.476 0.489 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cn4c(n3)C[C@H](C)CC4)CC2)C1 ZINC000941456375 610318864 /nfs/dbraw/zinc/31/88/64/610318864.db2.gz PDZQXEGCSILENM-OAHLLOKOSA-N 1 2 341.459 0.541 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnc4cnccc4c3)CC2)C1 ZINC000941486911 610338542 /nfs/dbraw/zinc/33/85/42/610338542.db2.gz CNAOAIJPTGHXPE-UHFFFAOYSA-N 1 2 335.411 0.705 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3ccc(=O)[nH]c3)CC2)C1 ZINC000941487793 610339021 /nfs/dbraw/zinc/33/90/21/610339021.db2.gz RRGVMARFLDZEEM-UHFFFAOYSA-N 1 2 328.416 0.181 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)nn1 ZINC000940710907 610340349 /nfs/dbraw/zinc/34/03/49/610340349.db2.gz MFMUTTSCZRKVFS-DGCLKSJQSA-N 1 2 343.391 0.007 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccnc(OCC)c3)CC2)C1 ZINC000941559629 610382080 /nfs/dbraw/zinc/38/20/80/610382080.db2.gz HGOJADKZQJVLPJ-UHFFFAOYSA-N 1 2 328.416 0.556 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(C(F)F)n[nH]3)CC2)C1 ZINC000941563964 610384842 /nfs/dbraw/zinc/38/48/42/610384842.db2.gz RPEYKVSGJLTGPO-UHFFFAOYSA-N 1 2 337.374 0.813 20 30 ECEDLO C#CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000940873614 610421098 /nfs/dbraw/zinc/42/10/98/610421098.db2.gz RZJUAWLYUMSHHN-KBPBESRZSA-N 1 2 326.462 0.661 20 30 ECEDLO C#CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000940873614 610421100 /nfs/dbraw/zinc/42/11/00/610421100.db2.gz RZJUAWLYUMSHHN-KBPBESRZSA-N 1 2 326.462 0.661 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3Cc4c(cccc4C)O3)CC2)C1 ZINC000941640856 610421828 /nfs/dbraw/zinc/42/18/28/610421828.db2.gz GKQNXSWQRLTEFE-LJQANCHMSA-N 1 2 339.439 0.760 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cn(C(C)C)nc3C)CC2)C1 ZINC000941636395 610422255 /nfs/dbraw/zinc/42/22/55/610422255.db2.gz KOMFJLRUCYBBEN-UHFFFAOYSA-N 1 2 329.448 0.848 20 30 ECEDLO C=C(Cl)CN1CC(N2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC000941638937 610423889 /nfs/dbraw/zinc/42/38/89/610423889.db2.gz KCJIZNNDKZTMDC-UHFFFAOYSA-N 1 2 337.855 0.544 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cn(CCC)nn3)CC2)C1 ZINC000941620702 610425961 /nfs/dbraw/zinc/42/59/61/610425961.db2.gz LJTNIXZZNOQOLM-UHFFFAOYSA-N 1 2 330.436 0.153 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCc3c(C)n[nH]c3C)CC2)C1 ZINC000941661618 610434588 /nfs/dbraw/zinc/43/45/88/610434588.db2.gz CRSVIGIHCCBHKN-UHFFFAOYSA-N 1 2 343.475 0.811 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCn3cc(Cl)cn3)CC2)C1 ZINC000941677826 610450304 /nfs/dbraw/zinc/45/03/04/610450304.db2.gz WPBSKXICVSKKAO-UHFFFAOYSA-N 1 2 349.866 0.778 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(N(C)C)cn3)CC2)C1 ZINC000941681000 610453527 /nfs/dbraw/zinc/45/35/27/610453527.db2.gz HYYUIMQEZHLPNM-UHFFFAOYSA-N 1 2 327.432 0.223 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccccc3N(C)C)CC2)C1 ZINC000941685164 610462999 /nfs/dbraw/zinc/46/29/99/610462999.db2.gz VIDGVMRXNMRLRW-UHFFFAOYSA-N 1 2 326.444 0.828 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3COc4ccccc43)CC2)C1 ZINC000941686156 610464065 /nfs/dbraw/zinc/46/40/65/610464065.db2.gz DMMWYEKQWNMUOA-QGZVFWFLSA-N 1 2 325.412 0.624 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCCN(C(=O)Cc3[nH]cc[nH+]3)CC2)cn1 ZINC000941776210 610498417 /nfs/dbraw/zinc/49/84/17/610498417.db2.gz TWZOFSDSJOFOMU-UHFFFAOYSA-N 1 2 337.383 0.703 20 30 ECEDLO CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000942528300 610500296 /nfs/dbraw/zinc/50/02/96/610500296.db2.gz BVEKMMPEGWRRBW-RRCSTGOVSA-N 1 2 342.399 0.269 20 30 ECEDLO CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000942528300 610500297 /nfs/dbraw/zinc/50/02/97/610500297.db2.gz BVEKMMPEGWRRBW-RRCSTGOVSA-N 1 2 342.399 0.269 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000942587326 610524669 /nfs/dbraw/zinc/52/46/69/610524669.db2.gz TWAWDECGJVKFOM-CABCVRRESA-N 1 2 332.404 0.604 20 30 ECEDLO C#CC[N@H+]1CC[C@@H](NC(=O)[C@]2(C)CCCS2(=O)=O)C(C)(C)C1 ZINC000941090824 610531884 /nfs/dbraw/zinc/53/18/84/610531884.db2.gz KBQBDKGESLNZQN-CJNGLKHVSA-N 1 2 326.462 0.804 20 30 ECEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)CCCS2(=O)=O)C(C)(C)C1 ZINC000941090824 610531886 /nfs/dbraw/zinc/53/18/86/610531886.db2.gz KBQBDKGESLNZQN-CJNGLKHVSA-N 1 2 326.462 0.804 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)cn1 ZINC000941879812 610550590 /nfs/dbraw/zinc/55/05/90/610550590.db2.gz QKTHAMXEXODAJG-MRXNPFEDSA-N 1 2 337.383 0.750 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)cn1 ZINC000941879812 610550591 /nfs/dbraw/zinc/55/05/91/610550591.db2.gz QKTHAMXEXODAJG-MRXNPFEDSA-N 1 2 337.383 0.750 20 30 ECEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000942744793 610595806 /nfs/dbraw/zinc/59/58/06/610595806.db2.gz PIAMPVUDRMWBLJ-AWEZNQCLSA-N 1 2 340.387 0.846 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000941225012 610609295 /nfs/dbraw/zinc/60/92/95/610609295.db2.gz HBCKUOMTKASXFN-LSDHHAIUSA-N 1 2 326.400 0.576 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(C)n3)C[C@H]2C)nc1 ZINC000944193312 610776583 /nfs/dbraw/zinc/77/65/83/610776583.db2.gz UYJGHIJXYOJBKY-CJNGLKHVSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cnn(C)n3)C[C@H]2C)nc1 ZINC000944193312 610776585 /nfs/dbraw/zinc/77/65/85/610776585.db2.gz UYJGHIJXYOJBKY-CJNGLKHVSA-N 1 2 338.415 0.832 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cn(C)nn3)C[C@H]2C)nn1 ZINC000943483193 610869246 /nfs/dbraw/zinc/86/92/46/610869246.db2.gz UZRQPYAGMJFWAC-TZMCWYRMSA-N 1 2 344.423 0.233 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cn(C)nn3)C[C@H]2C)nn1 ZINC000943483193 610869247 /nfs/dbraw/zinc/86/92/47/610869247.db2.gz UZRQPYAGMJFWAC-TZMCWYRMSA-N 1 2 344.423 0.233 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3nnc(C)o3)C[C@H]2C)nn1 ZINC000943483583 610869611 /nfs/dbraw/zinc/86/96/11/610869611.db2.gz YGVNLZHDPPZHLC-DGCLKSJQSA-N 1 2 345.407 0.796 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3nnc(C)o3)C[C@H]2C)nn1 ZINC000943483583 610869612 /nfs/dbraw/zinc/86/96/12/610869612.db2.gz YGVNLZHDPPZHLC-DGCLKSJQSA-N 1 2 345.407 0.796 20 30 ECEDLO C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000945250227 610982171 /nfs/dbraw/zinc/98/21/71/610982171.db2.gz CPOGQDMFENRLDY-AAEUAGOBSA-N 1 2 340.387 0.819 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000946891762 611232209 /nfs/dbraw/zinc/23/22/09/611232209.db2.gz MRZNADLKBRCJJV-RDJZCZTQSA-N 1 2 346.431 0.972 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cn(C)c3c(cnn3C)c2=O)C1 ZINC000923561332 611262113 /nfs/dbraw/zinc/26/21/13/611262113.db2.gz YCMDHAKHKIVHCW-GFCCVEGCSA-N 1 2 327.388 0.099 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)c3c(cnn3C)c2=O)C1 ZINC000923561332 611262116 /nfs/dbraw/zinc/26/21/16/611262116.db2.gz YCMDHAKHKIVHCW-GFCCVEGCSA-N 1 2 327.388 0.099 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2coc(S(=O)(=O)NC)c2)C1 ZINC000923566743 611262694 /nfs/dbraw/zinc/26/26/94/611262694.db2.gz OXZQILGMPRPMPX-GFCCVEGCSA-N 1 2 325.390 0.015 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2coc(S(=O)(=O)NC)c2)C1 ZINC000923566743 611262695 /nfs/dbraw/zinc/26/26/95/611262695.db2.gz OXZQILGMPRPMPX-GFCCVEGCSA-N 1 2 325.390 0.015 20 30 ECEDLO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000834512309 611289831 /nfs/dbraw/zinc/28/98/31/611289831.db2.gz UTXZOTPOUAMLDO-MFKMUULPSA-N 1 2 343.412 0.303 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cnn(C)n3)[C@@H](C)C2)nc1 ZINC000947946491 611751759 /nfs/dbraw/zinc/75/17/59/611751759.db2.gz AWMLBISYVXWXMG-DZGCQCFKSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnn(C)n3)[C@@H](C)C2)nc1 ZINC000947946491 611751761 /nfs/dbraw/zinc/75/17/61/611751761.db2.gz AWMLBISYVXWXMG-DZGCQCFKSA-N 1 2 338.415 0.974 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)c1 ZINC000950610641 611790733 /nfs/dbraw/zinc/79/07/33/611790733.db2.gz GTPAUZKCRWMPJD-CYBMUJFWSA-N 1 2 340.387 0.963 20 30 ECEDLO N#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CCc3[nH+]ccn3C1)CCO2 ZINC000949126032 611863237 /nfs/dbraw/zinc/86/32/37/611863237.db2.gz HOFMMORLVDEYLS-OAHLLOKOSA-N 1 2 343.431 0.662 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ncccc1O ZINC000950754970 611890210 /nfs/dbraw/zinc/89/02/10/611890210.db2.gz AJJNRYWNFZZVGW-KGLIPLIRSA-N 1 2 342.399 0.216 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ncccc1O ZINC000950754970 611890213 /nfs/dbraw/zinc/89/02/13/611890213.db2.gz AJJNRYWNFZZVGW-KGLIPLIRSA-N 1 2 342.399 0.216 20 30 ECEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC000950766758 611897558 /nfs/dbraw/zinc/89/75/58/611897558.db2.gz WPOATLYCBDALOC-UHFFFAOYSA-N 1 2 328.372 0.582 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cn1 ZINC000950776794 611904574 /nfs/dbraw/zinc/90/45/74/611904574.db2.gz GZBUZRLUVVHZOA-BZUAXINKSA-N 1 2 349.394 0.920 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cn1 ZINC000950776794 611904576 /nfs/dbraw/zinc/90/45/76/611904576.db2.gz GZBUZRLUVVHZOA-BZUAXINKSA-N 1 2 349.394 0.920 20 30 ECEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccccc2OCC(N)=O)C1 ZINC000950810512 611921010 /nfs/dbraw/zinc/92/10/10/611921010.db2.gz NYWQTLJKZTUQCI-UHFFFAOYSA-N 1 2 329.400 0.720 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CC1)C[N@H+](CC(=O)N(C)C1CC1)CCO2 ZINC000949320644 611938405 /nfs/dbraw/zinc/93/84/05/611938405.db2.gz QULAZNHKRPEKTI-AWEZNQCLSA-N 1 2 348.447 0.460 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CC1)C[N@@H+](CC(=O)N(C)C1CC1)CCO2 ZINC000949320644 611938407 /nfs/dbraw/zinc/93/84/07/611938407.db2.gz QULAZNHKRPEKTI-AWEZNQCLSA-N 1 2 348.447 0.460 20 30 ECEDLO CC#CC[N@@H+]1CCOC2(CCN(C(=O)CCc3nnc[nH]3)CC2)C1 ZINC000949332843 611941679 /nfs/dbraw/zinc/94/16/79/611941679.db2.gz VKFWBGYTLVVUMS-UHFFFAOYSA-N 1 2 331.420 0.454 20 30 ECEDLO CC#CC[N@H+]1CCOC2(CCN(C(=O)CCc3nnc[nH]3)CC2)C1 ZINC000949332843 611941681 /nfs/dbraw/zinc/94/16/81/611941681.db2.gz VKFWBGYTLVVUMS-UHFFFAOYSA-N 1 2 331.420 0.454 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)CCc3nccn3C)CC2)C1 ZINC000949427698 611976120 /nfs/dbraw/zinc/97/61/20/611976120.db2.gz VLHCIBWFGQETHG-UHFFFAOYSA-N 1 2 330.432 0.679 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)CCc3nccn3C)CC2)C1 ZINC000949427698 611976121 /nfs/dbraw/zinc/97/61/21/611976121.db2.gz VLHCIBWFGQETHG-UHFFFAOYSA-N 1 2 330.432 0.679 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)CC2)C1 ZINC000949479948 611995609 /nfs/dbraw/zinc/99/56/09/611995609.db2.gz INYQAIVJPFBBHH-DLBZAZTESA-N 1 2 342.443 0.850 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)CC2)C1 ZINC000949479948 611995611 /nfs/dbraw/zinc/99/56/11/611995611.db2.gz INYQAIVJPFBBHH-DLBZAZTESA-N 1 2 342.443 0.850 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)COc3cccnc3)CC2)C1 ZINC000949495843 612006233 /nfs/dbraw/zinc/00/62/33/612006233.db2.gz CXYBBFFWSMFLLE-UHFFFAOYSA-N 1 2 329.400 0.787 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)COc3cccnc3)CC2)C1 ZINC000949495843 612006235 /nfs/dbraw/zinc/00/62/35/612006235.db2.gz CXYBBFFWSMFLLE-UHFFFAOYSA-N 1 2 329.400 0.787 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)CCc3cn(C)nn3)CC2)C1 ZINC000949536888 612025180 /nfs/dbraw/zinc/02/51/80/612025180.db2.gz QLBIFZGAVIXDOD-UHFFFAOYSA-N 1 2 331.420 0.074 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)CCc3cn(C)nn3)CC2)C1 ZINC000949536888 612025182 /nfs/dbraw/zinc/02/51/82/612025182.db2.gz QLBIFZGAVIXDOD-UHFFFAOYSA-N 1 2 331.420 0.074 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC000952946747 612135974 /nfs/dbraw/zinc/13/59/74/612135974.db2.gz VJHCOKYLVSLTRJ-RHSMWYFYSA-N 1 2 329.404 0.884 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cn1 ZINC000951386089 612199226 /nfs/dbraw/zinc/19/92/26/612199226.db2.gz TXOTZEKDUFJNSQ-ARFHVFGLSA-N 1 2 349.394 0.920 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cn1 ZINC000951386089 612199227 /nfs/dbraw/zinc/19/92/27/612199227.db2.gz TXOTZEKDUFJNSQ-ARFHVFGLSA-N 1 2 349.394 0.920 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000953193667 612199252 /nfs/dbraw/zinc/19/92/52/612199252.db2.gz AHBQMFWMOGRLLL-GUYCJALGSA-N 1 2 329.404 0.573 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)nc1 ZINC000952149493 612248467 /nfs/dbraw/zinc/24/84/67/612248467.db2.gz QTJDBKUUAXNGDJ-CQSZACIVSA-N 1 2 337.383 0.750 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000953330678 612252320 /nfs/dbraw/zinc/25/23/20/612252320.db2.gz FKKBICLGOOPPBF-LSDHHAIUSA-N 1 2 326.400 0.815 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 ZINC000953330716 612252446 /nfs/dbraw/zinc/25/24/46/612252446.db2.gz FWDKGFCHASMZSY-WBVHZDCISA-N 1 2 340.427 0.825 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000953370147 612277371 /nfs/dbraw/zinc/27/73/71/612277371.db2.gz OTQKIWBYONTGLT-JKSUJKDBSA-N 1 2 326.400 0.746 20 30 ECEDLO C=CCn1cc(C(=O)N(CC)C2CN(Cc3c[nH+]cn3C)C2)nn1 ZINC000952426676 612426034 /nfs/dbraw/zinc/42/60/34/612426034.db2.gz CWAYUHSAXGKTPH-UHFFFAOYSA-N 1 2 329.408 0.544 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC000954052748 612593800 /nfs/dbraw/zinc/59/38/00/612593800.db2.gz AMSGUAIVBYMEPY-CVEARBPZSA-N 1 2 346.431 0.924 20 30 ECEDLO O=C(C#CC1CC1)N1CCC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000956004181 612595842 /nfs/dbraw/zinc/59/58/42/612595842.db2.gz PBBPOFATYNPZAW-HOTGVXAUSA-N 1 2 340.427 0.966 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000955618398 612710895 /nfs/dbraw/zinc/71/08/95/612710895.db2.gz PHNRCESLDJLKLF-AAEUAGOBSA-N 1 2 340.387 0.961 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000956111886 612717549 /nfs/dbraw/zinc/71/75/49/612717549.db2.gz YBZHGLQVPOQCGH-ZDUSSCGKSA-N 1 2 340.387 0.583 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000955631509 612719847 /nfs/dbraw/zinc/71/98/47/612719847.db2.gz XEQTWQQAASXCLY-VXGBXAGGSA-N 1 2 340.387 0.961 20 30 ECEDLO CC(C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000956587551 612919446 /nfs/dbraw/zinc/91/94/46/612919446.db2.gz KOXPEXGVCBIYRL-HNNXBMFYSA-N 1 2 343.431 0.901 20 30 ECEDLO COCCN1CC[N@H+](C)C2(CCN(c3nccnc3C#N)CC2)C1=O ZINC001164638733 719268745 /nfs/dbraw/zinc/26/87/45/719268745.db2.gz OXXRWSHQZNYPGR-UHFFFAOYSA-N 1 2 344.419 0.108 20 30 ECEDLO COCCN1CC[N@@H+](C)C2(CCN(c3nccnc3C#N)CC2)C1=O ZINC001164638733 719268746 /nfs/dbraw/zinc/26/87/46/719268746.db2.gz OXXRWSHQZNYPGR-UHFFFAOYSA-N 1 2 344.419 0.108 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc4c(cnn4C)c3)[C@H]2C1 ZINC001083234503 735459209 /nfs/dbraw/zinc/45/92/09/735459209.db2.gz GTLDIKWAKHNQCH-LSDHHAIUSA-N 1 2 325.372 0.127 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc4c(cnn4C)c3)[C@H]2C1 ZINC001083234503 735459211 /nfs/dbraw/zinc/45/92/11/735459211.db2.gz GTLDIKWAKHNQCH-LSDHHAIUSA-N 1 2 325.372 0.127 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N(CCO)CCNc1ccc(C#N)c(C)n1 ZINC001111492899 738451148 /nfs/dbraw/zinc/45/11/48/738451148.db2.gz VPZJRKOOTZFOGP-UHFFFAOYSA-N 1 2 342.403 0.769 20 30 ECEDLO CCO[C@H](C)c1noc(C[NH2+]CCNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001125818504 738482997 /nfs/dbraw/zinc/48/29/97/738482997.db2.gz JSSHTYWGRYTUBA-SNVBAGLBSA-N 1 2 332.364 0.886 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3CCC3)C2)nn1 ZINC001098595418 738506626 /nfs/dbraw/zinc/50/66/26/738506626.db2.gz NHTUMKUGZYSITB-MRXNPFEDSA-N 1 2 331.420 0.591 20 30 ECEDLO COc1ccc(C[NH+]2CC([C@@H](C)NC(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC000969514361 731940935 /nfs/dbraw/zinc/94/09/35/731940935.db2.gz NMOGWRIVVMCQMI-LLVKDONJSA-N 1 2 340.387 0.935 20 30 ECEDLO Cc1cc(C)c(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2O)c(C)[nH+]1 ZINC000969597530 731995344 /nfs/dbraw/zinc/99/53/44/731995344.db2.gz LEYKSHZHUDDQOW-GDLCADMTSA-N 1 2 330.388 0.468 20 30 ECEDLO C[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000970356803 733407229 /nfs/dbraw/zinc/40/72/29/733407229.db2.gz DWUCCCAPGKPUQU-BMIGLBTASA-N 1 2 345.378 0.315 20 30 ECEDLO N#Cc1cnccc1N1CCO[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001104308082 734197724 /nfs/dbraw/zinc/19/77/24/734197724.db2.gz AWESRPKCBMXALC-AWEZNQCLSA-N 1 2 340.387 0.631 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(C)oc2C)C1 ZINC001149131388 734304625 /nfs/dbraw/zinc/30/46/25/734304625.db2.gz PGERWMSKISQZMI-HNNXBMFYSA-N 1 2 347.415 0.467 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C)oc2C)C1 ZINC001149131388 734304627 /nfs/dbraw/zinc/30/46/27/734304627.db2.gz PGERWMSKISQZMI-HNNXBMFYSA-N 1 2 347.415 0.467 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCc3nc(C4CC4)no3)[C@H]2C1 ZINC001083216407 734465793 /nfs/dbraw/zinc/46/57/93/734465793.db2.gz YMVZIWRQJMYZHM-UONOGXRCSA-N 1 2 330.388 0.424 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3nc(C4CC4)no3)[C@H]2C1 ZINC001083216407 734465795 /nfs/dbraw/zinc/46/57/95/734465795.db2.gz YMVZIWRQJMYZHM-UONOGXRCSA-N 1 2 330.388 0.424 20 30 ECEDLO N#Cc1cnccc1N1CCO[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001104352811 734595680 /nfs/dbraw/zinc/59/56/80/734595680.db2.gz IITYSBWJTZIFPA-OAHLLOKOSA-N 1 2 340.387 0.631 20 30 ECEDLO N#Cc1cnccc1N1CCO[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001104352811 734595681 /nfs/dbraw/zinc/59/56/81/734595681.db2.gz IITYSBWJTZIFPA-OAHLLOKOSA-N 1 2 340.387 0.631 20 30 ECEDLO C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001041962871 782501238 /nfs/dbraw/zinc/50/12/38/782501238.db2.gz AAHPTJBJKFNJBW-ZDUSSCGKSA-N 1 2 332.404 0.101 20 30 ECEDLO Cc1nc(C)n(CC[N@@H+]2CCO[C@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)n1 ZINC000972297082 735906032 /nfs/dbraw/zinc/90/60/32/735906032.db2.gz GJUFMCORWSWOAM-CXAGYDPISA-N 1 2 346.435 0.358 20 30 ECEDLO Cc1nc(C)n(CC[N@H+]2CCO[C@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)n1 ZINC000972297082 735906033 /nfs/dbraw/zinc/90/60/33/735906033.db2.gz GJUFMCORWSWOAM-CXAGYDPISA-N 1 2 346.435 0.358 20 30 ECEDLO C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001041962900 782500476 /nfs/dbraw/zinc/50/04/76/782500476.db2.gz ASUXXCVYVCFEOE-CYBMUJFWSA-N 1 2 332.404 0.101 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)Oc3ccccn3)[C@H]2C1 ZINC001083249937 736037642 /nfs/dbraw/zinc/03/76/42/736037642.db2.gz HRSCHKWREDMGNT-HRCADAONSA-N 1 2 329.400 0.784 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)Oc3ccccn3)[C@H]2C1 ZINC001083249937 736037647 /nfs/dbraw/zinc/03/76/47/736037647.db2.gz HRSCHKWREDMGNT-HRCADAONSA-N 1 2 329.400 0.784 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)Cn3ccc(C)n3)C2)C1 ZINC000972394213 736114047 /nfs/dbraw/zinc/11/40/47/736114047.db2.gz AOCGCWFGWCBOTM-CRAIPNDOSA-N 1 2 330.432 0.764 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)Cn3ccc(C)n3)C2)C1 ZINC000972394213 736114048 /nfs/dbraw/zinc/11/40/48/736114048.db2.gz AOCGCWFGWCBOTM-CRAIPNDOSA-N 1 2 330.432 0.764 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc4[nH]cnc4c3)C2)C1 ZINC000972394998 736118132 /nfs/dbraw/zinc/11/81/32/736118132.db2.gz VGCWSVKVKSIKRJ-GOSISDBHSA-N 1 2 339.399 0.898 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc4[nH]cnc4c3)C2)C1 ZINC000972394998 736118133 /nfs/dbraw/zinc/11/81/33/736118133.db2.gz VGCWSVKVKSIKRJ-GOSISDBHSA-N 1 2 339.399 0.898 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4n[nH]nc43)C2)C1 ZINC000972395257 736119560 /nfs/dbraw/zinc/11/95/60/736119560.db2.gz CPTNINCORRZOFU-SFHVURJKSA-N 1 2 339.399 0.898 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4n[nH]nc43)C2)C1 ZINC000972395257 736119564 /nfs/dbraw/zinc/11/95/64/736119564.db2.gz CPTNINCORRZOFU-SFHVURJKSA-N 1 2 339.399 0.898 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4nn[nH]c43)C2)C1 ZINC000972395257 736119565 /nfs/dbraw/zinc/11/95/65/736119565.db2.gz CPTNINCORRZOFU-SFHVURJKSA-N 1 2 339.399 0.898 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4nn[nH]c43)C2)C1 ZINC000972395257 736119570 /nfs/dbraw/zinc/11/95/70/736119570.db2.gz CPTNINCORRZOFU-SFHVURJKSA-N 1 2 339.399 0.898 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000972456061 736243433 /nfs/dbraw/zinc/24/34/33/736243433.db2.gz QRPCIEDOEFKVHO-HOCLYGCPSA-N 1 2 342.461 0.301 20 30 ECEDLO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000972456061 736243436 /nfs/dbraw/zinc/24/34/36/736243436.db2.gz QRPCIEDOEFKVHO-HOCLYGCPSA-N 1 2 342.461 0.301 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nncn4CC3)C2)C1 ZINC000972471383 736280620 /nfs/dbraw/zinc/28/06/20/736280620.db2.gz IYMJVLCNZKJLME-MAUKXSAKSA-N 1 2 345.447 0.720 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nncn4CC3)C2)C1 ZINC000972471383 736280624 /nfs/dbraw/zinc/28/06/24/736280624.db2.gz IYMJVLCNZKJLME-MAUKXSAKSA-N 1 2 345.447 0.720 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCNC(=O)CC3)C2)C1 ZINC000972480477 736306249 /nfs/dbraw/zinc/30/62/49/736306249.db2.gz MRWAAMQUOVCDDR-YJBOKZPZSA-N 1 2 333.432 0.229 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCNC(=O)CC3)C2)C1 ZINC000972480477 736306251 /nfs/dbraw/zinc/30/62/51/736306251.db2.gz MRWAAMQUOVCDDR-YJBOKZPZSA-N 1 2 333.432 0.229 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3cncnc3)C2)C1 ZINC000972518675 736539548 /nfs/dbraw/zinc/53/95/48/736539548.db2.gz KAGPEANBCPUEOE-QAPCUYQASA-N 1 2 328.416 0.907 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3cncnc3)C2)C1 ZINC000972518675 736539554 /nfs/dbraw/zinc/53/95/54/736539554.db2.gz KAGPEANBCPUEOE-QAPCUYQASA-N 1 2 328.416 0.907 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccnc(OC)c3)C2)C1 ZINC000972552037 736697541 /nfs/dbraw/zinc/69/75/41/736697541.db2.gz KLBFDXKNBBBSGP-IBGZPJMESA-N 1 2 343.427 0.959 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccnc(OC)c3)C2)C1 ZINC000972552037 736697544 /nfs/dbraw/zinc/69/75/44/736697544.db2.gz KLBFDXKNBBBSGP-IBGZPJMESA-N 1 2 343.427 0.959 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)C1 ZINC000972553204 736712112 /nfs/dbraw/zinc/71/21/12/736712112.db2.gz BSECOKWNTJZNPP-RVKKMQEKSA-N 1 2 333.432 0.037 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)C1 ZINC000972553204 736712115 /nfs/dbraw/zinc/71/21/15/736712115.db2.gz BSECOKWNTJZNPP-RVKKMQEKSA-N 1 2 333.432 0.037 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCN(C(C)=O)C3)C2)C1 ZINC000972626237 737142728 /nfs/dbraw/zinc/14/27/28/737142728.db2.gz ALWGNQFKBLJKOF-ROUUACIJSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCN(C(C)=O)C3)C2)C1 ZINC000972626237 737142730 /nfs/dbraw/zinc/14/27/30/737142730.db2.gz ALWGNQFKBLJKOF-ROUUACIJSA-N 1 2 333.432 0.181 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(OC)nn3)C2)C1 ZINC000972626990 737146190 /nfs/dbraw/zinc/14/61/90/737146190.db2.gz HCIWANXQSYWRKR-KRWDZBQOSA-N 1 2 330.388 0.425 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(OC)nn3)C2)C1 ZINC000972626990 737146193 /nfs/dbraw/zinc/14/61/93/737146193.db2.gz HCIWANXQSYWRKR-KRWDZBQOSA-N 1 2 330.388 0.425 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC[C@H]3CC)C2)C1 ZINC000972627538 737155532 /nfs/dbraw/zinc/15/55/32/737155532.db2.gz JHWGOVAFCIBBHH-QAPCUYQASA-N 1 2 333.432 0.324 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC[C@H]3CC)C2)C1 ZINC000972627538 737155534 /nfs/dbraw/zinc/15/55/34/737155534.db2.gz JHWGOVAFCIBBHH-QAPCUYQASA-N 1 2 333.432 0.324 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCCN(C)C3=O)C2)C1 ZINC000972633924 737179817 /nfs/dbraw/zinc/17/98/17/737179817.db2.gz IXPHLYBTCMTLPI-QAPCUYQASA-N 1 2 335.448 0.734 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCCN(C)C3=O)C2)C1 ZINC000972633924 737179820 /nfs/dbraw/zinc/17/98/20/737179820.db2.gz IXPHLYBTCMTLPI-QAPCUYQASA-N 1 2 335.448 0.734 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)C2)C1 ZINC000972639304 737202636 /nfs/dbraw/zinc/20/26/36/737202636.db2.gz RGMKHICGALAZSH-DNVCBOLYSA-N 1 2 342.443 0.841 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)C2)C1 ZINC000972639304 737202638 /nfs/dbraw/zinc/20/26/38/737202638.db2.gz RGMKHICGALAZSH-DNVCBOLYSA-N 1 2 342.443 0.841 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccn(C)c3=O)C2)C1 ZINC000972643687 737237631 /nfs/dbraw/zinc/23/76/31/737237631.db2.gz SLCFJTZRBUAPAR-SFHVURJKSA-N 1 2 329.400 0.326 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccn(C)c3=O)C2)C1 ZINC000972643687 737237635 /nfs/dbraw/zinc/23/76/35/737237635.db2.gz SLCFJTZRBUAPAR-SFHVURJKSA-N 1 2 329.400 0.326 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCCCC(=O)N3)C2)C1 ZINC000972653565 737260531 /nfs/dbraw/zinc/26/05/31/737260531.db2.gz IRQZIURBCHPPNI-APWZRJJASA-N 1 2 347.459 0.762 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCCCC(=O)N3)C2)C1 ZINC000972653565 737260535 /nfs/dbraw/zinc/26/05/35/737260535.db2.gz IRQZIURBCHPPNI-APWZRJJASA-N 1 2 347.459 0.762 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3Cc4cccnc4C3)C2)C1 ZINC000972654543 737261838 /nfs/dbraw/zinc/26/18/38/737261838.db2.gz RHSAREZFYSZAOX-QFBILLFUSA-N 1 2 325.412 0.733 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3Cc4cccnc4C3)C2)C1 ZINC000972654543 737261841 /nfs/dbraw/zinc/26/18/41/737261841.db2.gz RHSAREZFYSZAOX-QFBILLFUSA-N 1 2 325.412 0.733 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc(C(=O)NC)n3)C2)C1 ZINC000972658752 737268603 /nfs/dbraw/zinc/26/86/03/737268603.db2.gz GTXUUGTUFRSGPV-GOSISDBHSA-N 1 2 344.415 0.544 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc(C(=O)NC)n3)C2)C1 ZINC000972658752 737268608 /nfs/dbraw/zinc/26/86/08/737268608.db2.gz GTXUUGTUFRSGPV-GOSISDBHSA-N 1 2 344.415 0.544 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC(=O)N3C)C2)C1 ZINC000972659583 737271069 /nfs/dbraw/zinc/27/10/69/737271069.db2.gz OFIHTSFBZLGRSV-CRAIPNDOSA-N 1 2 333.432 0.324 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC(=O)N3C)C2)C1 ZINC000972659583 737271074 /nfs/dbraw/zinc/27/10/74/737271074.db2.gz OFIHTSFBZLGRSV-CRAIPNDOSA-N 1 2 333.432 0.324 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC)N3CCCC3=O)C2)C1 ZINC000972672956 737337079 /nfs/dbraw/zinc/33/70/79/737337079.db2.gz BSMBRDNXFGNVJQ-VQIMIIECSA-N 1 2 347.459 0.714 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC)N3CCCC3=O)C2)C1 ZINC000972672956 737337085 /nfs/dbraw/zinc/33/70/85/737337085.db2.gz BSMBRDNXFGNVJQ-VQIMIIECSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)n3nc(C)cc3C)C2)C1 ZINC000972695191 737404641 /nfs/dbraw/zinc/40/46/41/737404641.db2.gz HJMWZPDNHJRPQY-FUHWJXTLSA-N 1 2 330.432 0.997 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)n3nc(C)cc3C)C2)C1 ZINC000972695191 737404642 /nfs/dbraw/zinc/40/46/42/737404642.db2.gz HJMWZPDNHJRPQY-FUHWJXTLSA-N 1 2 330.432 0.997 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc(OCC)cn3)C2)C1 ZINC000972703654 737492858 /nfs/dbraw/zinc/49/28/58/737492858.db2.gz RUJNKPZKIZESIL-QGZVFWFLSA-N 1 2 332.404 0.978 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc(OCC)cn3)C2)C1 ZINC000972703654 737492861 /nfs/dbraw/zinc/49/28/61/737492861.db2.gz RUJNKPZKIZESIL-QGZVFWFLSA-N 1 2 332.404 0.978 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2nn(C)cc2Br)CC1 ZINC000293438775 737591738 /nfs/dbraw/zinc/59/17/38/737591738.db2.gz OLGKFNXAGDEKFR-UHFFFAOYSA-N 1 2 325.210 0.964 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc3n[nH]cc32)[C@@H](n2ccnn2)C1 ZINC001069993861 790289218 /nfs/dbraw/zinc/28/92/18/790289218.db2.gz RFNMETMDCUWGMW-CVEARBPZSA-N 1 2 335.371 0.443 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc3n[nH]cc32)[C@@H](n2ccnn2)C1 ZINC001069993861 790289224 /nfs/dbraw/zinc/28/92/24/790289224.db2.gz RFNMETMDCUWGMW-CVEARBPZSA-N 1 2 335.371 0.443 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2nnc[nH]2)C1=O ZINC001024718588 738247158 /nfs/dbraw/zinc/24/71/58/738247158.db2.gz WPDKTKHKQNUKKS-QWHCGFSZSA-N 1 2 332.408 0.176 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2CNC(=O)c2nnc[nH]2)C1=O ZINC001024718588 738247162 /nfs/dbraw/zinc/24/71/62/738247162.db2.gz WPDKTKHKQNUKKS-QWHCGFSZSA-N 1 2 332.408 0.176 20 30 ECEDLO C=CCOc1cccnc1C(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O ZINC001024749625 738267099 /nfs/dbraw/zinc/26/70/99/738267099.db2.gz AHWUQZOYOIQKGF-ZDUSSCGKSA-N 1 2 332.404 0.716 20 30 ECEDLO C=CCOc1cccnc1C(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O ZINC001024749625 738267103 /nfs/dbraw/zinc/26/71/03/738267103.db2.gz AHWUQZOYOIQKGF-ZDUSSCGKSA-N 1 2 332.404 0.716 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)COc3ccc(OC)cc3)[C@H]2C1 ZINC001083272360 738301138 /nfs/dbraw/zinc/30/11/38/738301138.db2.gz IHECTVBTRCIXOG-DLBZAZTESA-N 1 2 330.384 0.619 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)COc3ccc(OC)cc3)[C@H]2C1 ZINC001083272360 738301143 /nfs/dbraw/zinc/30/11/43/738301143.db2.gz IHECTVBTRCIXOG-DLBZAZTESA-N 1 2 330.384 0.619 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001024795154 738302388 /nfs/dbraw/zinc/30/23/88/738302388.db2.gz BCLKGNUNUBPUQM-NSHDSACASA-N 1 2 340.811 0.823 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001024795154 738302390 /nfs/dbraw/zinc/30/23/90/738302390.db2.gz BCLKGNUNUBPUQM-NSHDSACASA-N 1 2 340.811 0.823 20 30 ECEDLO C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)CCc1c[nH+]cn1C ZINC001104642074 739351090 /nfs/dbraw/zinc/35/10/90/739351090.db2.gz RDSMJDCUYVDODM-LBPRGKRZSA-N 1 2 327.392 0.973 20 30 ECEDLO N#Cc1nccc(N2CCC3(C[C@H]3NC(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC001058639294 739652786 /nfs/dbraw/zinc/65/27/86/739652786.db2.gz CPRHSULTCKFSOL-GFCCVEGCSA-N 1 2 337.387 0.789 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2O)C1 ZINC001025541922 739702802 /nfs/dbraw/zinc/70/28/02/739702802.db2.gz PNCXLZCMVFGKGS-CHWSQXEVSA-N 1 2 346.431 0.732 20 30 ECEDLO N#Cc1cnc(N2CCC3(C[C@H]3NC(=O)Cc3c[nH]c[nH+]3)CC2)cn1 ZINC001058650549 739779014 /nfs/dbraw/zinc/77/90/14/739779014.db2.gz PDINPQVXRPRMON-CQSZACIVSA-N 1 2 337.387 0.789 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN([C@H](C)c3nnc(C)[nH]3)C[C@H]21 ZINC001025814078 739997290 /nfs/dbraw/zinc/99/72/90/739997290.db2.gz OJEVCWIMUFZZFG-VMMWWAARSA-N 1 2 342.447 0.318 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN([C@H](C)c3nnc(C)[nH]3)C[C@H]21 ZINC001025814078 739997293 /nfs/dbraw/zinc/99/72/93/739997293.db2.gz OJEVCWIMUFZZFG-VMMWWAARSA-N 1 2 342.447 0.318 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(F)c2F)[C@@H](n2ccnn2)C1 ZINC001070010508 790315650 /nfs/dbraw/zinc/31/56/50/790315650.db2.gz YFRVXMOKWSMRFB-KGLIPLIRSA-N 1 2 331.326 0.845 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(F)c2F)[C@@H](n2ccnn2)C1 ZINC001070010508 790315656 /nfs/dbraw/zinc/31/56/56/790315656.db2.gz YFRVXMOKWSMRFB-KGLIPLIRSA-N 1 2 331.326 0.845 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3snnc3C)C2)nn1 ZINC001098608184 740559281 /nfs/dbraw/zinc/55/92/81/740559281.db2.gz PGVSOGWMRJPCNS-GFCCVEGCSA-N 1 2 331.405 0.248 20 30 ECEDLO C[C@@H](CNc1ccnc(C#N)n1)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001104834482 740646227 /nfs/dbraw/zinc/64/62/27/740646227.db2.gz VOXQONLRLAGCCR-STQMWFEESA-N 1 2 327.392 0.877 20 30 ECEDLO C[C@H](CNc1ccnc(C#N)n1)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001104834479 740646358 /nfs/dbraw/zinc/64/63/58/740646358.db2.gz VOXQONLRLAGCCR-CHWSQXEVSA-N 1 2 327.392 0.877 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(=O)[nH]c4c3CCCC4)[C@H]2C1 ZINC001083293379 740927694 /nfs/dbraw/zinc/92/76/94/740927694.db2.gz AUHIDDXWTWRUSH-DLBZAZTESA-N 1 2 341.411 0.824 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(=O)[nH]c4c3CCCC4)[C@H]2C1 ZINC001083293379 740927699 /nfs/dbraw/zinc/92/76/99/740927699.db2.gz AUHIDDXWTWRUSH-DLBZAZTESA-N 1 2 341.411 0.824 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCCC(C)=O)C2)nn1 ZINC001098615665 741103204 /nfs/dbraw/zinc/10/32/04/741103204.db2.gz YKWSMABBBNEIPI-MRXNPFEDSA-N 1 2 331.420 0.924 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]nc3C(C)(C)C)C2)nn1 ZINC001105359903 751625810 /nfs/dbraw/zinc/62/58/10/751625810.db2.gz ZPVILKPRACEGJO-UHFFFAOYSA-N 1 2 341.419 0.719 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)c1 ZINC000974349872 741373216 /nfs/dbraw/zinc/37/32/16/741373216.db2.gz ISYBLBZXBBRRTM-GASCZTMLSA-N 1 2 337.383 0.714 20 30 ECEDLO C=CCCC(=O)N1CC(n2cc(C[NH2+][C@@H](CCCC)C(N)=O)nn2)C1 ZINC001105185652 741448986 /nfs/dbraw/zinc/44/89/86/741448986.db2.gz OSPSWKJWVTZESN-HNNXBMFYSA-N 1 2 348.451 0.761 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CCCCO3)C2)nn1 ZINC001105207259 741473560 /nfs/dbraw/zinc/47/35/60/741473560.db2.gz KZZNYSSXWDCAES-INIZCTEOSA-N 1 2 331.420 0.734 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)ccn3C)C2)nn1 ZINC001105219803 741484982 /nfs/dbraw/zinc/48/49/82/741484982.db2.gz QWRGZYQOZKUKGK-UHFFFAOYSA-N 1 2 326.404 0.735 20 30 ECEDLO C#CCCCCC(=O)N1CC(n2cc(C[NH2+][C@H](C)C(=O)NC)nn2)C1 ZINC001105219782 741485200 /nfs/dbraw/zinc/48/52/00/741485200.db2.gz QIOKCXFEANVSNT-CYBMUJFWSA-N 1 2 346.435 0.079 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC(n2cc(C[NH2+]C/C=C/Cl)nn2)C1 ZINC001105223897 741501835 /nfs/dbraw/zinc/50/18/35/741501835.db2.gz NQMPXJDRXBZTQG-RGDDUWESSA-N 1 2 339.827 0.831 20 30 ECEDLO C=C(C)CCC(=O)N1CC(n2cc(C[NH2+]CC(=O)N(C)CC)nn2)C1 ZINC001105252613 741562652 /nfs/dbraw/zinc/56/26/52/741562652.db2.gz ZREDXOZVWVUCCW-UHFFFAOYSA-N 1 2 348.451 0.586 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[C@@H](OC)C3)C2)nn1 ZINC001105275220 741620761 /nfs/dbraw/zinc/62/07/61/741620761.db2.gz HHJYADSNCYKXLE-CZUORRHYSA-N 1 2 331.420 0.589 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3snnc3CC)C2)nn1 ZINC001105278683 741633954 /nfs/dbraw/zinc/63/39/54/741633954.db2.gz RCYURRQOGWLUDA-UHFFFAOYSA-N 1 2 345.432 0.502 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](CCC)OCC)C2)nn1 ZINC001105310075 741719443 /nfs/dbraw/zinc/71/94/43/741719443.db2.gz NZFAERLALDKTTN-INIZCTEOSA-N 1 2 333.436 0.980 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C3CCC(OC)CC3)C2)nn1 ZINC001105313629 741740281 /nfs/dbraw/zinc/74/02/81/741740281.db2.gz FPNBYSOJNNDYNQ-UHFFFAOYSA-N 1 2 345.447 0.980 20 30 ECEDLO CC(C)[C@H](CNC(=O)CCc1[nH+]ccn1C)Nc1ccnc(C#N)n1 ZINC001105315049 741744045 /nfs/dbraw/zinc/74/40/45/741744045.db2.gz SGWDPNFTCDCKDU-ZDUSSCGKSA-N 1 2 341.419 0.689 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CC(n2cc(C[NH2+]CC(=O)N(C)C)nn2)C1 ZINC001105319028 741765196 /nfs/dbraw/zinc/76/51/96/741765196.db2.gz XMUNYDZUJUFZBX-KRWDZBQOSA-N 1 2 348.451 0.442 20 30 ECEDLO C=CCC1(C(=O)N2CC(n3cc(C[NH2+][C@@H](C)C(N)=O)nn3)C2)CCC1 ZINC001105322445 741781180 /nfs/dbraw/zinc/78/11/80/741781180.db2.gz QAEZPAWDNJKPJB-LBPRGKRZSA-N 1 2 346.435 0.371 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC(n3cc(C[NH2+]CC(=O)N(C)C)nn3)C2)C1 ZINC001105323905 741790205 /nfs/dbraw/zinc/79/02/05/741790205.db2.gz KDYHPNCMZPGGTG-UHFFFAOYSA-N 1 2 346.435 0.196 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2nc(C)no2)CC1(C)C ZINC000974687171 742003223 /nfs/dbraw/zinc/00/32/23/742003223.db2.gz RLNLDLRNKRPTOG-GJZGRUSLSA-N 1 2 345.447 0.802 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2nc(C)no2)CC1(C)C ZINC000974687171 742003228 /nfs/dbraw/zinc/00/32/28/742003228.db2.gz RLNLDLRNKRPTOG-GJZGRUSLSA-N 1 2 345.447 0.802 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)[C@@H]3C2)[nH]1 ZINC000974917254 742356797 /nfs/dbraw/zinc/35/67/97/742356797.db2.gz LGGCLHOEZFWPHA-BXUZGUMPSA-N 1 2 338.371 0.525 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)[C@@H]3C2)c1 ZINC000974922192 742362067 /nfs/dbraw/zinc/36/20/67/742362067.db2.gz LHEDMFFGRPVMJS-GDBMZVCRSA-N 1 2 349.394 0.702 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CO[C@@H]3CCCC[C@@H]3C)C2)nn1 ZINC001105336510 742387965 /nfs/dbraw/zinc/38/79/65/742387965.db2.gz GIQJDBMKKGEITB-WMLDXEAASA-N 1 2 345.447 0.980 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C4CC4)no3)C2)nn1 ZINC001105336874 742433596 /nfs/dbraw/zinc/43/35/96/742433596.db2.gz MWWLTWSUOFUFLP-UHFFFAOYSA-N 1 2 326.360 0.563 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2cccc(C)n2)C1 ZINC001149183073 743047541 /nfs/dbraw/zinc/04/75/41/743047541.db2.gz WVJBSNPQBFDUEG-OAHLLOKOSA-N 1 2 346.431 0.513 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2cccc(C)n2)C1 ZINC001149183073 743047549 /nfs/dbraw/zinc/04/75/49/743047549.db2.gz WVJBSNPQBFDUEG-OAHLLOKOSA-N 1 2 346.431 0.513 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)n3nc(C)cc3C)C2)nn1 ZINC001105381039 743440427 /nfs/dbraw/zinc/44/04/27/743440427.db2.gz MBGBPOTZMYFCOZ-AWEZNQCLSA-N 1 2 341.419 0.459 20 30 ECEDLO C#CCCCC(=O)NCC[NH2+]Cc1nc(-c2cc(OC)ncn2)no1 ZINC001126338660 751844603 /nfs/dbraw/zinc/84/46/03/751844603.db2.gz FMBIGGUSIBDDAX-UHFFFAOYSA-N 1 2 344.375 0.545 20 30 ECEDLO C[C@H](c1nnnn1C)[N@@H+]1C[C@@]2(C)CN(C(=O)C#CC3CC3)C[C@@]2(C)C1 ZINC000982278972 751851264 /nfs/dbraw/zinc/85/12/64/751851264.db2.gz VGWDCSKZPCLJRV-XWIAVFTESA-N 1 2 342.447 0.855 20 30 ECEDLO C[C@H](c1nnnn1C)[N@H+]1C[C@@]2(C)CN(C(=O)C#CC3CC3)C[C@@]2(C)C1 ZINC000982278972 751851272 /nfs/dbraw/zinc/85/12/72/751851272.db2.gz VGWDCSKZPCLJRV-XWIAVFTESA-N 1 2 342.447 0.855 20 30 ECEDLO Cn1[nH]c(C[N@H+](C)[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)nc1=O ZINC001027354937 743920276 /nfs/dbraw/zinc/92/02/76/743920276.db2.gz NFMQGQRQTPSKSV-LBPRGKRZSA-N 1 2 343.391 0.045 20 30 ECEDLO Cn1[nH]c(C[N@@H+](C)[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)nc1=O ZINC001027354937 743920279 /nfs/dbraw/zinc/92/02/79/743920279.db2.gz NFMQGQRQTPSKSV-LBPRGKRZSA-N 1 2 343.391 0.045 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001027392634 744139802 /nfs/dbraw/zinc/13/98/02/744139802.db2.gz SZRTXJHNDAOMKV-MNOVXSKESA-N 1 2 346.225 0.926 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001027392634 744139799 /nfs/dbraw/zinc/13/97/99/744139799.db2.gz SZRTXJHNDAOMKV-MNOVXSKESA-N 1 2 346.225 0.926 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000976729377 744252654 /nfs/dbraw/zinc/25/26/54/744252654.db2.gz QPZMBXOWOARVHO-GGAZOKNXSA-N 1 2 327.388 0.178 20 30 ECEDLO COCc1noc(C[NH2+][C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000998850599 744370868 /nfs/dbraw/zinc/37/08/68/744370868.db2.gz UAPZSZVTAJYSSL-LBPRGKRZSA-N 1 2 344.375 0.810 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)C2)nn1 ZINC001105339521 744459407 /nfs/dbraw/zinc/45/94/07/744459407.db2.gz SSOXFLJWIGTSIO-CEXWTWQISA-N 1 2 347.422 0.970 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)cc1 ZINC000976936983 744492467 /nfs/dbraw/zinc/49/24/67/744492467.db2.gz QTXCFWBBMKMFPL-HWWDLCQESA-N 1 2 334.379 0.820 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)cc1 ZINC000976927647 744499394 /nfs/dbraw/zinc/49/93/94/744499394.db2.gz AMOWKTULJPOBRY-VQFNDLOPSA-N 1 2 334.379 0.751 20 30 ECEDLO C#Cc1cncc(C(=O)NC2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)c1 ZINC000999317003 744621793 /nfs/dbraw/zinc/62/17/93/744621793.db2.gz CDFCLVVLEUKHLZ-CQSZACIVSA-N 1 2 349.394 0.463 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC000977215262 744794389 /nfs/dbraw/zinc/79/43/89/744794389.db2.gz HWOLUEOTAAKQHB-QDEPRCCBSA-N 1 2 344.415 0.506 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2C[N@@H+](CC(=O)N(C)C)CC2(C)C)nn1 ZINC000977282235 744840448 /nfs/dbraw/zinc/84/04/48/744840448.db2.gz CFDXOJKFMUQYOB-AWEZNQCLSA-N 1 2 348.451 0.383 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2C[N@H+](CC(=O)N(C)C)CC2(C)C)nn1 ZINC000977282235 744840449 /nfs/dbraw/zinc/84/04/49/744840449.db2.gz CFDXOJKFMUQYOB-AWEZNQCLSA-N 1 2 348.451 0.383 20 30 ECEDLO N#Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C3)c[nH]1 ZINC000999736596 744878229 /nfs/dbraw/zinc/87/82/29/744878229.db2.gz XPZCMCIYZOVGTH-RDBSUJKOSA-N 1 2 338.371 0.714 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001028258255 751959464 /nfs/dbraw/zinc/95/94/64/751959464.db2.gz PWUQMOBWIHSLIP-VIFPVBQESA-N 1 2 342.783 0.843 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001028258255 751959472 /nfs/dbraw/zinc/95/94/72/751959472.db2.gz PWUQMOBWIHSLIP-VIFPVBQESA-N 1 2 342.783 0.843 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001006910276 751967035 /nfs/dbraw/zinc/96/70/35/751967035.db2.gz RWCDKOSOOOIMSP-CFVMTHIKSA-N 1 2 332.404 0.437 20 30 ECEDLO C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3[nH]nc4c3CCC4)nn2)C1 ZINC001000001721 745164899 /nfs/dbraw/zinc/16/48/99/745164899.db2.gz FVJSHORKAZNJHX-ZDUSSCGKSA-N 1 2 341.419 0.853 20 30 ECEDLO C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3[nH]nc4c3CCC4)nn2)C1 ZINC001000001721 745164905 /nfs/dbraw/zinc/16/49/05/745164905.db2.gz FVJSHORKAZNJHX-ZDUSSCGKSA-N 1 2 341.419 0.853 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCCCO3)[C@@H](O)C2)s1 ZINC001083410738 745264050 /nfs/dbraw/zinc/26/40/50/745264050.db2.gz SFFSRKIRRVFZBQ-ILXRZTDVSA-N 1 2 335.429 0.850 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CCCCO3)[C@@H](O)C2)s1 ZINC001083410738 745264055 /nfs/dbraw/zinc/26/40/55/745264055.db2.gz SFFSRKIRRVFZBQ-ILXRZTDVSA-N 1 2 335.429 0.850 20 30 ECEDLO N#Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N2CCC2)c[nH]1 ZINC001029277495 745507880 /nfs/dbraw/zinc/50/78/80/745507880.db2.gz NSVOBTOFODGWDV-GASCZTMLSA-N 1 2 327.388 0.407 20 30 ECEDLO N#Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N2CCC2)c[nH]1 ZINC001029277495 745507883 /nfs/dbraw/zinc/50/78/83/745507883.db2.gz NSVOBTOFODGWDV-GASCZTMLSA-N 1 2 327.388 0.407 20 30 ECEDLO CC[C@@H](F)C(=O)N1CC[C@@H](n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001098700340 745571180 /nfs/dbraw/zinc/57/11/80/745571180.db2.gz JOAYIRBPGPQERL-HUUCEWRRSA-N 1 2 337.399 0.539 20 30 ECEDLO CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000977913276 745666111 /nfs/dbraw/zinc/66/61/11/745666111.db2.gz QYFKBBHEULAYQO-RDJZCZTQSA-N 1 2 340.427 0.918 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3nnn(C)c3C)C2)C1=O ZINC001006993801 752031568 /nfs/dbraw/zinc/03/15/68/752031568.db2.gz JLEBKFNLUKEXBP-UONOGXRCSA-N 1 2 346.435 0.105 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3nnn(C)c3C)C2)C1=O ZINC001006993801 752031574 /nfs/dbraw/zinc/03/15/74/752031574.db2.gz JLEBKFNLUKEXBP-UONOGXRCSA-N 1 2 346.435 0.105 20 30 ECEDLO Cc1nnc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)[nH]1 ZINC000978021220 745806446 /nfs/dbraw/zinc/80/64/46/745806446.db2.gz MZTMJXNRQUZPIG-XYYAHUGASA-N 1 2 325.376 0.421 20 30 ECEDLO Cc1nnc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)[nH]1 ZINC000978021220 745806452 /nfs/dbraw/zinc/80/64/52/745806452.db2.gz MZTMJXNRQUZPIG-XYYAHUGASA-N 1 2 325.376 0.421 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CCS(C)(=O)=O)cn1 ZINC001028272135 752043221 /nfs/dbraw/zinc/04/32/21/752043221.db2.gz DSNAKFQZIPECPP-HNNXBMFYSA-N 1 2 335.429 0.302 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CCS(C)(=O)=O)cn1 ZINC001028272135 752043225 /nfs/dbraw/zinc/04/32/25/752043225.db2.gz DSNAKFQZIPECPP-HNNXBMFYSA-N 1 2 335.429 0.302 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cn(C)nn2)C1 ZINC001027586401 745913317 /nfs/dbraw/zinc/91/33/17/745913317.db2.gz ZZEPAEAVSHDWBR-OAGGEKHMSA-N 1 2 333.436 0.829 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2cn(C)nn2)C1 ZINC001027586401 745913321 /nfs/dbraw/zinc/91/33/21/745913321.db2.gz ZZEPAEAVSHDWBR-OAGGEKHMSA-N 1 2 333.436 0.829 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCSCC)[C@H](OC)C1 ZINC001211942640 752063563 /nfs/dbraw/zinc/06/35/63/752063563.db2.gz SWMLCDVYBGPYMS-BFHYXJOUSA-N 1 2 341.477 0.083 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCSCC)[C@H](OC)C1 ZINC001211942640 752063569 /nfs/dbraw/zinc/06/35/69/752063569.db2.gz SWMLCDVYBGPYMS-BFHYXJOUSA-N 1 2 341.477 0.083 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cn[nH]n3)[C@H]2CC)C1=O ZINC001087638200 746138172 /nfs/dbraw/zinc/13/81/72/746138172.db2.gz GSYVCXANRJFINN-IACUBPJLSA-N 1 2 332.408 0.174 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cn[nH]n3)[C@H]2CC)C1=O ZINC001087638200 746138174 /nfs/dbraw/zinc/13/81/74/746138174.db2.gz GSYVCXANRJFINN-IACUBPJLSA-N 1 2 332.408 0.174 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnn[nH]3)[C@H]2CC)C1=O ZINC001087638200 746138176 /nfs/dbraw/zinc/13/81/76/746138176.db2.gz GSYVCXANRJFINN-IACUBPJLSA-N 1 2 332.408 0.174 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnn[nH]3)[C@H]2CC)C1=O ZINC001087638200 746138177 /nfs/dbraw/zinc/13/81/77/746138177.db2.gz GSYVCXANRJFINN-IACUBPJLSA-N 1 2 332.408 0.174 20 30 ECEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1CCC(=O)NC1 ZINC001038448056 746141030 /nfs/dbraw/zinc/14/10/30/746141030.db2.gz GRCNIWZRYXTNND-IAGOWNOFSA-N 1 2 325.412 0.755 20 30 ECEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1CCC(=O)NC1 ZINC001038448056 746141032 /nfs/dbraw/zinc/14/10/32/746141032.db2.gz GRCNIWZRYXTNND-IAGOWNOFSA-N 1 2 325.412 0.755 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)C[C@@H]2CCN2C(=O)Cc2[nH]cc[nH+]2)c1 ZINC000978371981 746257193 /nfs/dbraw/zinc/25/71/93/746257193.db2.gz XGZKARHMYDFVBZ-HNNXBMFYSA-N 1 2 337.383 0.702 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2=CC[N@H+](Cc3cnnn3C)CC2)nc1 ZINC001001379919 746326418 /nfs/dbraw/zinc/32/64/18/746326418.db2.gz YEYAKPDNDPOEOZ-UHFFFAOYSA-N 1 2 336.399 0.754 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2=CC[N@@H+](Cc3cnnn3C)CC2)nc1 ZINC001001379919 746326423 /nfs/dbraw/zinc/32/64/23/746326423.db2.gz YEYAKPDNDPOEOZ-UHFFFAOYSA-N 1 2 336.399 0.754 20 30 ECEDLO C#CC[N@@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001027641564 746469795 /nfs/dbraw/zinc/46/97/95/746469795.db2.gz LGADBECMBZUCMK-GJZGRUSLSA-N 1 2 326.462 0.757 20 30 ECEDLO C#CC[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001027641564 746469801 /nfs/dbraw/zinc/46/98/01/746469801.db2.gz LGADBECMBZUCMK-GJZGRUSLSA-N 1 2 326.462 0.757 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cnn(CC)n3)C[C@H]21 ZINC000978716672 746630428 /nfs/dbraw/zinc/63/04/28/746630428.db2.gz KQICJEPPAFVEPY-MTSZKFMLSA-N 1 2 345.447 0.683 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cnn(CC)n3)C[C@H]21 ZINC000978716672 746630430 /nfs/dbraw/zinc/63/04/30/746630430.db2.gz KQICJEPPAFVEPY-MTSZKFMLSA-N 1 2 345.447 0.683 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)c[nH]1 ZINC000978738246 746633789 /nfs/dbraw/zinc/63/37/89/746633789.db2.gz KFQLXXGPQFBJRW-BJHJDKERSA-N 1 2 326.360 0.408 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc4n3CCOC4)CC[C@@H]2C1 ZINC001087911298 746645776 /nfs/dbraw/zinc/64/57/76/746645776.db2.gz QBOOBFLPBCQSNX-MJBXVCDLSA-N 1 2 344.419 0.248 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc4n3CCOC4)CC[C@@H]2C1 ZINC001087911298 746645779 /nfs/dbraw/zinc/64/57/79/746645779.db2.gz QBOOBFLPBCQSNX-MJBXVCDLSA-N 1 2 344.419 0.248 20 30 ECEDLO C=CCCn1cc(C(=O)NCC2CN(C(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC001002159672 747039363 /nfs/dbraw/zinc/03/93/63/747039363.db2.gz NALBESVQFOKYBZ-UHFFFAOYSA-N 1 2 343.391 0.008 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H](CC)C(N)=O)nn1 ZINC001029507602 747199537 /nfs/dbraw/zinc/19/95/37/747199537.db2.gz SGGQVUDTRLWAAP-MBNYWOFBSA-N 1 2 332.408 0.017 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](CC)C(N)=O)nn1 ZINC001029507602 747199539 /nfs/dbraw/zinc/19/95/39/747199539.db2.gz SGGQVUDTRLWAAP-MBNYWOFBSA-N 1 2 332.408 0.017 20 30 ECEDLO C[C@@H]([NH2+]Cc1csnn1)[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979280348 747505813 /nfs/dbraw/zinc/50/58/13/747505813.db2.gz VGJRZLPBJVFVNP-YGRLFVJLSA-N 1 2 346.416 0.757 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC(F)(F)F)[C@H](OC)C1 ZINC001211977429 752198957 /nfs/dbraw/zinc/19/89/57/752198957.db2.gz IBWCYACSLUJKRL-GMTAPVOTSA-N 1 2 337.342 0.445 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC(F)(F)F)[C@H](OC)C1 ZINC001211977429 752198960 /nfs/dbraw/zinc/19/89/60/752198960.db2.gz IBWCYACSLUJKRL-GMTAPVOTSA-N 1 2 337.342 0.445 20 30 ECEDLO C[C@@H]([NH2+]Cc1nc(N(C)C)no1)[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979342524 747646884 /nfs/dbraw/zinc/64/68/84/747646884.db2.gz YQLQNZPINNPPGJ-TZMCWYRMSA-N 1 2 347.419 0.255 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ocnc3CC)C2)nn1 ZINC001098722272 747663131 /nfs/dbraw/zinc/66/31/31/747663131.db2.gz MRTUWKKSPSYCGV-CYBMUJFWSA-N 1 2 328.376 0.639 20 30 ECEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2COC(=O)N2)CC1 ZINC001002722253 747699435 /nfs/dbraw/zinc/69/94/35/747699435.db2.gz LLSBOKJBVVWNFJ-SNVBAGLBSA-N 1 2 332.198 0.584 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3cnnn3CC)C2)C1=O ZINC001007282137 752253381 /nfs/dbraw/zinc/25/33/81/752253381.db2.gz WEGHVTUTNUKHRY-KBPBESRZSA-N 1 2 346.435 0.279 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cnnn3CC)C2)C1=O ZINC001007282137 752253388 /nfs/dbraw/zinc/25/33/88/752253388.db2.gz WEGHVTUTNUKHRY-KBPBESRZSA-N 1 2 346.435 0.279 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2cnnn2C)C1 ZINC001029758124 748270587 /nfs/dbraw/zinc/27/05/87/748270587.db2.gz RSWGSNRMJJFLOM-RDJZCZTQSA-N 1 2 344.463 0.193 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cnnn2C)C1 ZINC001029758124 748270589 /nfs/dbraw/zinc/27/05/89/748270589.db2.gz RSWGSNRMJJFLOM-RDJZCZTQSA-N 1 2 344.463 0.193 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001003296948 748391037 /nfs/dbraw/zinc/39/10/37/748391037.db2.gz UFUSPCQQWGUEFH-BBRMVZONSA-N 1 2 348.447 0.222 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001003296948 748391042 /nfs/dbraw/zinc/39/10/42/748391042.db2.gz UFUSPCQQWGUEFH-BBRMVZONSA-N 1 2 348.447 0.222 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 ZINC000979823894 748471961 /nfs/dbraw/zinc/47/19/61/748471961.db2.gz NNSATPOTFZMADS-BHYGNILZSA-N 1 2 340.427 0.729 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000979852385 748555069 /nfs/dbraw/zinc/55/50/69/748555069.db2.gz BEJGGMLERBKVEB-XOUADPBQSA-N 1 2 346.431 0.944 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2CN(C(=O)CCc3c[nH]c[nH+]3)C2)nc1 ZINC001003471374 748588995 /nfs/dbraw/zinc/58/89/95/748588995.db2.gz IJSUSENCOUZBLB-UHFFFAOYSA-N 1 2 337.383 0.607 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2CN(C(=O)CCc3c[nH+]c[nH]3)C2)nc1 ZINC001003471374 748588999 /nfs/dbraw/zinc/58/89/99/748588999.db2.gz IJSUSENCOUZBLB-UHFFFAOYSA-N 1 2 337.383 0.607 20 30 ECEDLO C=CCO[C@H](C)C(=O)N(C)CCN(C)c1ncnc2c1C[N@H+](C)CC2 ZINC001105421807 748944580 /nfs/dbraw/zinc/94/45/80/748944580.db2.gz CVXLORRXEKGURT-CQSZACIVSA-N 1 2 347.463 0.950 20 30 ECEDLO C=CCO[C@H](C)C(=O)N(C)CCN(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC001105421807 748944585 /nfs/dbraw/zinc/94/45/85/748944585.db2.gz CVXLORRXEKGURT-CQSZACIVSA-N 1 2 347.463 0.950 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001013922833 761914992 /nfs/dbraw/zinc/91/49/92/761914992.db2.gz AFSCRAPWANRDFA-PWSUYJOCSA-N 1 2 326.360 0.571 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001059645948 749091857 /nfs/dbraw/zinc/09/18/57/749091857.db2.gz KFEVVVKNIMHTDY-HUUCEWRRSA-N 1 2 346.431 0.356 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3cc(F)c[nH]3)CC2)CC1 ZINC000985829803 749196003 /nfs/dbraw/zinc/19/60/03/749196003.db2.gz MGZRGPXQJFBXNR-UHFFFAOYSA-N 1 2 349.410 0.835 20 30 ECEDLO C=C(Br)C[NH+]1CCC(NC(=O)Cn2cncn2)CC1 ZINC001004101616 749212194 /nfs/dbraw/zinc/21/21/94/749212194.db2.gz DSVAICPVAVOMEJ-UHFFFAOYSA-N 1 2 328.214 0.767 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]c3ccccc3c2OC)C1 ZINC001078251557 782558606 /nfs/dbraw/zinc/55/86/06/782558606.db2.gz RNMBDQKSFGLGFD-HUUCEWRRSA-N 1 2 327.384 0.975 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]c3ccccc3c2OC)C1 ZINC001078251557 782558613 /nfs/dbraw/zinc/55/86/13/782558613.db2.gz RNMBDQKSFGLGFD-HUUCEWRRSA-N 1 2 327.384 0.975 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(CC)c3C)C2)nn1 ZINC001105346096 749366374 /nfs/dbraw/zinc/36/63/74/749366374.db2.gz VDQNEHFOTJKAQQ-UHFFFAOYSA-N 1 2 341.419 0.613 20 30 ECEDLO Cc1nn(CC(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)c(=O)n1C ZINC001004610104 749683269 /nfs/dbraw/zinc/68/32/69/749683269.db2.gz NRAQODQWILVKPK-OAHLLOKOSA-N 1 2 346.435 0.117 20 30 ECEDLO Cc1nn(CC(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)c(=O)n1C ZINC001004610104 749683272 /nfs/dbraw/zinc/68/32/72/749683272.db2.gz NRAQODQWILVKPK-OAHLLOKOSA-N 1 2 346.435 0.117 20 30 ECEDLO C[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1)N1CCOCC1 ZINC001004636322 749715850 /nfs/dbraw/zinc/71/58/50/749715850.db2.gz SNOLTFYQXCCGDB-RDJZCZTQSA-N 1 2 334.464 0.934 20 30 ECEDLO C[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1)N1CCOCC1 ZINC001004636322 749715854 /nfs/dbraw/zinc/71/58/54/749715854.db2.gz SNOLTFYQXCCGDB-RDJZCZTQSA-N 1 2 334.464 0.934 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC000986501115 749979463 /nfs/dbraw/zinc/97/94/63/749979463.db2.gz NLISGBQCLKWFHW-KFWWJZLASA-N 1 2 343.431 0.819 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3cnsn3)CC2)C1=O ZINC000980762233 750111325 /nfs/dbraw/zinc/11/13/25/750111325.db2.gz JRFFFIRVOCJKMI-ZDUSSCGKSA-N 1 2 335.433 0.473 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3cnsn3)CC2)C1=O ZINC000980762233 750111332 /nfs/dbraw/zinc/11/13/32/750111332.db2.gz JRFFFIRVOCJKMI-ZDUSSCGKSA-N 1 2 335.433 0.473 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C1 ZINC000986593162 750163983 /nfs/dbraw/zinc/16/39/83/750163983.db2.gz BVYGAFFJTVBYMQ-ZNMIVQPWSA-N 1 2 343.431 0.819 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCC3CC3)C2)nn1 ZINC001098639977 750459765 /nfs/dbraw/zinc/45/97/65/750459765.db2.gz CDANQCYVGBZAGK-QGZVFWFLSA-N 1 2 345.447 0.981 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@@H](C)OC)C2)nn1 ZINC001098640180 750479553 /nfs/dbraw/zinc/47/95/53/750479553.db2.gz FXEZVQOZMYQLEJ-GDBMZVCRSA-N 1 2 349.435 0.216 20 30 ECEDLO COCCN(CCNC(=O)CCc1[nH]cc[nH+]1)c1ccc(C#N)cn1 ZINC001126308574 750573690 /nfs/dbraw/zinc/57/36/90/750573690.db2.gz XCPLSWAJRCUSEV-UHFFFAOYSA-N 1 2 342.403 0.878 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)CC1 ZINC000981476936 750731181 /nfs/dbraw/zinc/73/11/81/750731181.db2.gz KTSIKDUQZMQTHC-GFCCVEGCSA-N 1 2 339.827 0.833 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)CC1 ZINC000981476936 750731185 /nfs/dbraw/zinc/73/11/85/750731185.db2.gz KTSIKDUQZMQTHC-GFCCVEGCSA-N 1 2 339.827 0.833 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)CC1 ZINC000981476937 750731799 /nfs/dbraw/zinc/73/17/99/750731799.db2.gz KTSIKDUQZMQTHC-LBPRGKRZSA-N 1 2 339.827 0.833 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)CC1 ZINC000981476937 750731802 /nfs/dbraw/zinc/73/18/02/750731802.db2.gz KTSIKDUQZMQTHC-LBPRGKRZSA-N 1 2 339.827 0.833 20 30 ECEDLO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001005862866 750742486 /nfs/dbraw/zinc/74/24/86/750742486.db2.gz OOLXBLRVSAYERI-SNVBAGLBSA-N 1 2 326.360 0.429 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCO[C@H](CC)C3)C2)nn1 ZINC001105357676 750944655 /nfs/dbraw/zinc/94/46/55/750944655.db2.gz JLBZNDIOKWNLRU-CZUORRHYSA-N 1 2 331.420 0.589 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCO[C@@H](CC)C3)C2)nn1 ZINC001105357817 751002820 /nfs/dbraw/zinc/00/28/20/751002820.db2.gz KRFCCAJAOWMPHP-PBHICJAKSA-N 1 2 345.447 0.980 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3CC=CC3)C2)nn1 ZINC001098641105 751019034 /nfs/dbraw/zinc/01/90/34/751019034.db2.gz PWTCZBKETWAEHQ-QGZVFWFLSA-N 1 2 343.431 0.757 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001059819232 751070867 /nfs/dbraw/zinc/07/08/67/751070867.db2.gz GPKWUXSCCDFWGI-LSDHHAIUSA-N 1 2 346.431 0.735 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001059819232 751070873 /nfs/dbraw/zinc/07/08/73/751070873.db2.gz GPKWUXSCCDFWGI-LSDHHAIUSA-N 1 2 346.431 0.735 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3(C(N)=O)CC3)CC2)cc1F ZINC000981865118 751217278 /nfs/dbraw/zinc/21/72/78/751217278.db2.gz PJWOZWXEHLUHCI-UHFFFAOYSA-N 1 2 344.390 0.997 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3(C(N)=O)CC3)CC2)cc1F ZINC000981865118 751217282 /nfs/dbraw/zinc/21/72/82/751217282.db2.gz PJWOZWXEHLUHCI-UHFFFAOYSA-N 1 2 344.390 0.997 20 30 ECEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1OC ZINC001211992564 752303319 /nfs/dbraw/zinc/30/33/19/752303319.db2.gz SAKLCIFSLMBAMP-RBSFLKMASA-N 1 2 339.436 0.015 20 30 ECEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1OC ZINC001211992564 752303323 /nfs/dbraw/zinc/30/33/23/752303323.db2.gz SAKLCIFSLMBAMP-RBSFLKMASA-N 1 2 339.436 0.015 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001020906398 752317692 /nfs/dbraw/zinc/31/76/92/752317692.db2.gz GIGDQZLNUXBWSN-HAQNSBGRSA-N 1 2 343.391 0.221 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnn(CC)c2)[C@H](OC)C1 ZINC001212041466 752434308 /nfs/dbraw/zinc/43/43/08/752434308.db2.gz QNPPPWOLIHTIMY-BPLDGKMQSA-N 1 2 349.435 0.023 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cnn(CC)c2)[C@H](OC)C1 ZINC001212041466 752434312 /nfs/dbraw/zinc/43/43/12/752434312.db2.gz QNPPPWOLIHTIMY-BPLDGKMQSA-N 1 2 349.435 0.023 20 30 ECEDLO CCC(=O)NCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001212041110 752434496 /nfs/dbraw/zinc/43/44/96/752434496.db2.gz FGXGZTWGLUDBGN-IAGOWNOFSA-N 1 2 343.427 0.380 20 30 ECEDLO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001212041110 752434501 /nfs/dbraw/zinc/43/45/01/752434501.db2.gz FGXGZTWGLUDBGN-IAGOWNOFSA-N 1 2 343.427 0.380 20 30 ECEDLO COCCN(CCNC(=O)Cn1cc[nH+]c1)c1ccncc1C#N ZINC001126360917 752440077 /nfs/dbraw/zinc/44/00/77/752440077.db2.gz RBTGLQPUSVYLRJ-UHFFFAOYSA-N 1 2 328.376 0.419 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)/C=C/C(C)(C)C)[C@H](OC)C1 ZINC001212051103 752443843 /nfs/dbraw/zinc/44/38/43/752443843.db2.gz RSTLWBKIMAQIGJ-SCAYIUIISA-N 1 2 335.448 0.542 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)/C=C/C(C)(C)C)[C@H](OC)C1 ZINC001212051103 752443844 /nfs/dbraw/zinc/44/38/44/752443844.db2.gz RSTLWBKIMAQIGJ-SCAYIUIISA-N 1 2 335.448 0.542 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC(n2cc(C[NH2+]CCF)nn2)C1 ZINC001105366275 752461794 /nfs/dbraw/zinc/46/17/94/752461794.db2.gz GGIZETSNQSJJHO-UHFFFAOYSA-N 1 2 341.390 0.945 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccccc2F)[C@H](OC)C1 ZINC001211766144 752669398 /nfs/dbraw/zinc/66/93/98/752669398.db2.gz UEUSFSIZOGOSHW-APHBMKBZSA-N 1 2 347.390 0.393 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccccc2F)[C@H](OC)C1 ZINC001211766144 752669402 /nfs/dbraw/zinc/66/94/02/752669402.db2.gz UEUSFSIZOGOSHW-APHBMKBZSA-N 1 2 347.390 0.393 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000938036804 752705932 /nfs/dbraw/zinc/70/59/32/752705932.db2.gz KEOOWWWGEPEJIL-CFVMTHIKSA-N 1 2 332.404 0.651 20 30 ECEDLO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001087457061 752714991 /nfs/dbraw/zinc/71/49/91/752714991.db2.gz DLLYIHYSLLTRFQ-HUUCEWRRSA-N 1 2 342.378 0.570 20 30 ECEDLO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001087457061 752714994 /nfs/dbraw/zinc/71/49/94/752714994.db2.gz DLLYIHYSLLTRFQ-HUUCEWRRSA-N 1 2 342.378 0.570 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC[C@@H](n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001098678998 752770489 /nfs/dbraw/zinc/77/04/89/752770489.db2.gz QDATXRYNLJBONL-TZMCWYRMSA-N 1 2 348.451 0.617 20 30 ECEDLO N#Cc1cnc(N[C@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)cn1 ZINC001058993962 752781510 /nfs/dbraw/zinc/78/15/10/752781510.db2.gz UJGDDDRBXQNWFO-STQMWFEESA-N 1 2 337.387 0.820 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)C#N)CCO2 ZINC001007691417 752798955 /nfs/dbraw/zinc/79/89/55/752798955.db2.gz OODHFUCCRBNBEI-SJKOYZFVSA-N 1 2 345.403 0.250 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cn(C)nc3C)C2)nn1 ZINC001098645876 752809213 /nfs/dbraw/zinc/80/92/13/752809213.db2.gz XPSKXAXOJDAWPX-HNNXBMFYSA-N 1 2 341.419 0.520 20 30 ECEDLO CCn1ncc(C[N@@H+]2CC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001028491504 752835329 /nfs/dbraw/zinc/83/53/29/752835329.db2.gz ZRRZAJRJVPYJMI-LBPRGKRZSA-N 1 2 327.392 0.750 20 30 ECEDLO CCn1ncc(C[N@H+]2CC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001028491504 752835338 /nfs/dbraw/zinc/83/53/38/752835338.db2.gz ZRRZAJRJVPYJMI-LBPRGKRZSA-N 1 2 327.392 0.750 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2csc([C@@H]3CCCO3)n2)[C@@H](O)C1 ZINC001083460991 752891024 /nfs/dbraw/zinc/89/10/24/752891024.db2.gz IEPBABQNSGKSDZ-XBFCOCLRSA-N 1 2 335.429 0.793 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2csc([C@@H]3CCCO3)n2)[C@@H](O)C1 ZINC001083460991 752891031 /nfs/dbraw/zinc/89/10/31/752891031.db2.gz IEPBABQNSGKSDZ-XBFCOCLRSA-N 1 2 335.429 0.793 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cc(C)nnc3C)C2)nn1 ZINC001098679277 752912267 /nfs/dbraw/zinc/91/22/67/752912267.db2.gz XCKDSCGDUOLOKR-OAHLLOKOSA-N 1 2 339.403 0.495 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC001008293826 753559873 /nfs/dbraw/zinc/55/98/73/753559873.db2.gz VGLSTKWXFIKROB-QLFBSQMISA-N 1 2 346.431 0.827 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CN(C(=O)C#CC2CC2)CC1(C)C ZINC001008350423 753643612 /nfs/dbraw/zinc/64/36/12/753643612.db2.gz DQPDZWHMOGAYCE-HNNXBMFYSA-N 1 2 328.416 0.729 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCCO2)[C@@H](O)C1 ZINC001083351375 753643860 /nfs/dbraw/zinc/64/38/60/753643860.db2.gz BKKWBRCBZKBKAY-BBWFWOEESA-N 1 2 329.400 0.789 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCCO2)[C@@H](O)C1 ZINC001083351375 753643863 /nfs/dbraw/zinc/64/38/63/753643863.db2.gz BKKWBRCBZKBKAY-BBWFWOEESA-N 1 2 329.400 0.789 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCCO2)[C@@H](O)C1 ZINC001083351376 753643979 /nfs/dbraw/zinc/64/39/79/753643979.db2.gz BKKWBRCBZKBKAY-ZACQAIPSSA-N 1 2 329.400 0.789 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)C[C@H]2CCCO2)[C@@H](O)C1 ZINC001083351376 753643982 /nfs/dbraw/zinc/64/39/82/753643982.db2.gz BKKWBRCBZKBKAY-ZACQAIPSSA-N 1 2 329.400 0.789 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c1 ZINC001008370538 753667575 /nfs/dbraw/zinc/66/75/75/753667575.db2.gz GFDXEHYWWRCUBF-HIFRSBDPSA-N 1 2 345.378 0.459 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c1 ZINC001008370538 753667577 /nfs/dbraw/zinc/66/75/77/753667577.db2.gz GFDXEHYWWRCUBF-HIFRSBDPSA-N 1 2 345.378 0.459 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC[C@@H]3CCOC3)C2)nn1 ZINC001098649903 753714017 /nfs/dbraw/zinc/71/40/17/753714017.db2.gz WIOIAURPDYNVED-NVXWUHKLSA-N 1 2 345.447 0.981 20 30 ECEDLO CN(CCN(C)c1nccnc1C#N)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001105489950 753731997 /nfs/dbraw/zinc/73/19/97/753731997.db2.gz TXFGVVUZMKJJJY-CYBMUJFWSA-N 1 2 339.403 0.702 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@H](CCNC(=O)CSCC#N)C1 ZINC001059972598 753741428 /nfs/dbraw/zinc/74/14/28/753741428.db2.gz NJRMTGAWUDDRJA-ZDUSSCGKSA-N 1 2 349.460 0.574 20 30 ECEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@@H+](Cc2nnnn2C)C1 ZINC001028593349 753751883 /nfs/dbraw/zinc/75/18/83/753751883.db2.gz JXPBUHDGXWTUAJ-CYBMUJFWSA-N 1 2 329.408 0.450 20 30 ECEDLO C=CCn1cccc1C(=O)NC[C@H]1CC[N@H+](Cc2nnnn2C)C1 ZINC001028593349 753751886 /nfs/dbraw/zinc/75/18/86/753751886.db2.gz JXPBUHDGXWTUAJ-CYBMUJFWSA-N 1 2 329.408 0.450 20 30 ECEDLO CC1(C)CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001008650248 753990042 /nfs/dbraw/zinc/99/00/42/753990042.db2.gz JHVXTTQVZICRQN-AWEZNQCLSA-N 1 2 340.387 0.819 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+]([C@H](C)C(=O)NC3CC3)CC2)cn1 ZINC000989512237 754062702 /nfs/dbraw/zinc/06/27/02/754062702.db2.gz BCWKTYHRAXRVOG-CQSZACIVSA-N 1 2 340.427 0.878 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@H+]([C@H](C)C(=O)NC3CC3)CC2)cn1 ZINC000989512237 754062707 /nfs/dbraw/zinc/06/27/07/754062707.db2.gz BCWKTYHRAXRVOG-CQSZACIVSA-N 1 2 340.427 0.878 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3nnc(CC)o3)C[C@@H]2C)nn1 ZINC000989536028 754079384 /nfs/dbraw/zinc/07/93/84/754079384.db2.gz HOCUUSLJMXPVOV-RYUDHWBXSA-N 1 2 345.407 0.802 20 30 ECEDLO C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC000989569850 754128024 /nfs/dbraw/zinc/12/80/24/754128024.db2.gz YBLBXYYJFPENDE-RYUDHWBXSA-N 1 2 330.392 0.226 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cccnn3)C2)C1=O ZINC001008946360 754344555 /nfs/dbraw/zinc/34/45/55/754344555.db2.gz RIAFQRXOHGRAIK-HIFRSBDPSA-N 1 2 329.404 0.458 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cccnn3)C2)C1=O ZINC001008946360 754344561 /nfs/dbraw/zinc/34/45/61/754344561.db2.gz RIAFQRXOHGRAIK-HIFRSBDPSA-N 1 2 329.404 0.458 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3cnsn3)C2)[nH]1 ZINC001051554973 762329465 /nfs/dbraw/zinc/32/94/65/762329465.db2.gz KZRLGDANWQHORV-LBPRGKRZSA-N 1 2 332.389 0.369 20 30 ECEDLO Cn1cnnc1C[N@@H+]1CC[C@@]2(NC(=O)c3cc(C#N)c[nH]3)CCC[C@@H]12 ZINC000990160617 754785501 /nfs/dbraw/zinc/78/55/01/754785501.db2.gz JZAPQSYOVQGLSK-PBHICJAKSA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1cnnc1C[N@H+]1CC[C@@]2(NC(=O)c3cc(C#N)c[nH]3)CCC[C@@H]12 ZINC000990160617 754785505 /nfs/dbraw/zinc/78/55/05/754785505.db2.gz JZAPQSYOVQGLSK-PBHICJAKSA-N 1 2 339.403 0.942 20 30 ECEDLO Cc1noc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)n1 ZINC001051558524 762336904 /nfs/dbraw/zinc/33/69/04/762336904.db2.gz NSXOWIPHGYCOQS-CYBMUJFWSA-N 1 2 330.348 0.209 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N1CC[C@H](Nc2ccnc(C#N)n2)C1 ZINC001059104513 754905143 /nfs/dbraw/zinc/90/51/43/754905143.db2.gz YWUIUVWPJYEGJO-ZDUSSCGKSA-N 1 2 338.371 0.429 20 30 ECEDLO CN(CCN(C)c1nccnc1C#N)C(=O)CCc1[nH+]ccn1C ZINC001105612270 754965979 /nfs/dbraw/zinc/96/59/79/754965979.db2.gz XOOFIUVXIIBHBK-UHFFFAOYSA-N 1 2 327.392 0.609 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@@H+](Cc3cnn(CC)n3)C2)c1 ZINC001028792443 755139806 /nfs/dbraw/zinc/13/98/06/755139806.db2.gz IASFNKZOHIQUGY-HNNXBMFYSA-N 1 2 338.415 0.926 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@H+](Cc3cnn(CC)n3)C2)c1 ZINC001028792443 755139812 /nfs/dbraw/zinc/13/98/12/755139812.db2.gz IASFNKZOHIQUGY-HNNXBMFYSA-N 1 2 338.415 0.926 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2nnc(CC)n2C)C1 ZINC001028809925 755199887 /nfs/dbraw/zinc/19/98/87/755199887.db2.gz QNZZZUHFZHLXBF-ZNMIVQPWSA-N 1 2 347.463 0.907 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2nnc(CC)n2C)C1 ZINC001028809925 755199889 /nfs/dbraw/zinc/19/98/89/755199889.db2.gz QNZZZUHFZHLXBF-ZNMIVQPWSA-N 1 2 347.463 0.907 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3nonc3C)C2)C1=O ZINC001009725272 755306590 /nfs/dbraw/zinc/30/65/90/755306590.db2.gz PZFZQTBCHWVXFW-OLZOCXBDSA-N 1 2 333.392 0.359 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3nonc3C)C2)C1=O ZINC001009725272 755306595 /nfs/dbraw/zinc/30/65/95/755306595.db2.gz PZFZQTBCHWVXFW-OLZOCXBDSA-N 1 2 333.392 0.359 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2nccnc2C)C[C@@H]1O ZINC001083470946 755322784 /nfs/dbraw/zinc/32/27/84/755322784.db2.gz WPTIHMLIWOPIHX-SIXLDLHFSA-N 1 2 346.431 0.428 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@@H]1O ZINC001083470946 755322787 /nfs/dbraw/zinc/32/27/87/755322787.db2.gz WPTIHMLIWOPIHX-SIXLDLHFSA-N 1 2 346.431 0.428 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC000983363688 755401723 /nfs/dbraw/zinc/40/17/23/755401723.db2.gz GRGQPAHVFZDHBB-LLVKDONJSA-N 1 2 326.360 0.430 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cnnn3)C2)c(F)c1 ZINC001010103415 755652619 /nfs/dbraw/zinc/65/26/19/755652619.db2.gz FDTPXCMCEJTZBV-CYBMUJFWSA-N 1 2 329.339 0.075 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)Cn3cnnn3)C2)c(F)c1 ZINC001010103415 755652623 /nfs/dbraw/zinc/65/26/23/755652623.db2.gz FDTPXCMCEJTZBV-CYBMUJFWSA-N 1 2 329.339 0.075 20 30 ECEDLO N#Cc1nccc(NC[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)n1 ZINC001060066213 755709472 /nfs/dbraw/zinc/70/94/72/755709472.db2.gz XLHKSRMEYOKTLO-AWEZNQCLSA-N 1 2 339.403 0.707 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2scnc2C)C[C@@H]1O ZINC001083535824 755976435 /nfs/dbraw/zinc/97/64/35/755976435.db2.gz OJMAIZUHZJMCPE-ILXRZTDVSA-N 1 2 348.472 0.210 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2scnc2C)C[C@@H]1O ZINC001083535824 755976438 /nfs/dbraw/zinc/97/64/38/755976438.db2.gz OJMAIZUHZJMCPE-ILXRZTDVSA-N 1 2 348.472 0.210 20 30 ECEDLO C[C@H]1C[C@H](CNC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001010326541 756001309 /nfs/dbraw/zinc/00/13/09/756001309.db2.gz AWFZQQGDGDYEOF-NWDGAFQWSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001076183056 756181205 /nfs/dbraw/zinc/18/12/05/756181205.db2.gz JYOXCQYOBPLSLS-NSHDSACASA-N 1 2 328.376 0.867 20 30 ECEDLO C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001076183056 756181208 /nfs/dbraw/zinc/18/12/08/756181208.db2.gz JYOXCQYOBPLSLS-NSHDSACASA-N 1 2 328.376 0.867 20 30 ECEDLO C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001076219021 756222773 /nfs/dbraw/zinc/22/27/73/756222773.db2.gz QBZYURKQMOCDCV-NSHDSACASA-N 1 2 328.376 0.867 20 30 ECEDLO C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001076219021 756222777 /nfs/dbraw/zinc/22/27/77/756222777.db2.gz QBZYURKQMOCDCV-NSHDSACASA-N 1 2 328.376 0.867 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001010706877 756425871 /nfs/dbraw/zinc/42/58/71/756425871.db2.gz KJZMLWPNQXJNTF-ZDUSSCGKSA-N 1 2 329.404 0.953 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001010706877 756425874 /nfs/dbraw/zinc/42/58/74/756425874.db2.gz KJZMLWPNQXJNTF-ZDUSSCGKSA-N 1 2 329.404 0.953 20 30 ECEDLO CC(C)c1nnc(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCO2)o1 ZINC001051612686 762468798 /nfs/dbraw/zinc/46/87/98/762468798.db2.gz SOFDVOOTCAVAJD-CQSZACIVSA-N 1 2 332.404 0.923 20 30 ECEDLO Cn1oc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)cc1=O ZINC001010774566 756505734 /nfs/dbraw/zinc/50/57/34/756505734.db2.gz SPBFLEKMOIWMPL-ZDUSSCGKSA-N 1 2 344.346 0.993 20 30 ECEDLO Cn1oc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)cc1=O ZINC001010774566 756505737 /nfs/dbraw/zinc/50/57/37/756505737.db2.gz SPBFLEKMOIWMPL-ZDUSSCGKSA-N 1 2 344.346 0.993 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCCN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001010832054 756579144 /nfs/dbraw/zinc/57/91/44/756579144.db2.gz XVBDZYHFMZSAFF-CQSZACIVSA-N 1 2 343.431 0.963 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)[nH]1 ZINC001011019957 756774143 /nfs/dbraw/zinc/77/41/43/756774143.db2.gz BMYQBXGHSLHJSB-CHWSQXEVSA-N 1 2 338.371 0.698 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)[nH]1 ZINC001011019957 756774148 /nfs/dbraw/zinc/77/41/48/756774148.db2.gz BMYQBXGHSLHJSB-CHWSQXEVSA-N 1 2 338.371 0.698 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CCCCC3)C2)C1=O ZINC001076694337 756865174 /nfs/dbraw/zinc/86/51/74/756865174.db2.gz RJFQFXHQYTXACE-BZUAXINKSA-N 1 2 335.448 0.515 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3CCCCC3)C2)C1=O ZINC001076694337 756865182 /nfs/dbraw/zinc/86/51/82/756865182.db2.gz RJFQFXHQYTXACE-BZUAXINKSA-N 1 2 335.448 0.515 20 30 ECEDLO C=CCCn1cc(C(=O)NCC[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)nn1 ZINC001076713754 756905157 /nfs/dbraw/zinc/90/51/57/756905157.db2.gz QXIUKEYHOUKADI-LBPRGKRZSA-N 1 2 345.407 0.445 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCN(C(=O)C#CC3CC3)CC1)C2 ZINC001011110697 756940737 /nfs/dbraw/zinc/94/07/37/756940737.db2.gz LCNNJLLKOSNFNB-OAHLLOKOSA-N 1 2 340.427 0.907 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCN(C(=O)C#CC3CC3)CC1)CC2 ZINC001011110697 756940739 /nfs/dbraw/zinc/94/07/39/756940739.db2.gz LCNNJLLKOSNFNB-OAHLLOKOSA-N 1 2 340.427 0.907 20 30 ECEDLO O=C(C#CC1CC1)N1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001011111820 756942553 /nfs/dbraw/zinc/94/25/53/756942553.db2.gz VDZXGLINGUSMBM-UHFFFAOYSA-N 1 2 340.427 0.846 20 30 ECEDLO O=C(C[C@H]1CCCO1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001076758217 756978451 /nfs/dbraw/zinc/97/84/51/756978451.db2.gz PWJVLFVYJCIFMV-KZNAEPCWSA-N 1 2 328.412 0.769 20 30 ECEDLO O=C(C[C@H]1CCCO1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001076758217 756978458 /nfs/dbraw/zinc/97/84/58/756978458.db2.gz PWJVLFVYJCIFMV-KZNAEPCWSA-N 1 2 328.412 0.769 20 30 ECEDLO C[C@@H](CCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1)NC(=O)C#CC1CC1 ZINC001076771365 757043113 /nfs/dbraw/zinc/04/31/13/757043113.db2.gz IMFVDSUZCNLYQU-KBXCAEBGSA-N 1 2 347.459 0.522 20 30 ECEDLO Cc1ncncc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076773091 757078282 /nfs/dbraw/zinc/07/82/82/757078282.db2.gz IJKHAFAAEIZCSA-IAGOWNOFSA-N 1 2 337.383 0.632 20 30 ECEDLO Cc1ncncc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076773091 757078288 /nfs/dbraw/zinc/07/82/88/757078288.db2.gz IJKHAFAAEIZCSA-IAGOWNOFSA-N 1 2 337.383 0.632 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCN(C(=O)Cn3cc[nH+]c3)CC2)nn1 ZINC001011195248 757173094 /nfs/dbraw/zinc/17/30/94/757173094.db2.gz VOZGRLBNIQESRM-UHFFFAOYSA-N 1 2 343.391 0.035 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CN(C)C(=O)C(C)C)nn2)C1 ZINC001107176835 757257651 /nfs/dbraw/zinc/25/76/51/757257651.db2.gz PICCSQFTNOFGGL-UHFFFAOYSA-N 1 2 348.451 0.442 20 30 ECEDLO C=C(C)CCC(=O)NCc1cn(C2C[NH+](CCOCCO)C2)nn1 ZINC001107176934 757258869 /nfs/dbraw/zinc/25/88/69/757258869.db2.gz UAKVBYASWMVKRZ-UHFFFAOYSA-N 1 2 337.424 0.116 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCc3cc(OC)no3)nn2)C1 ZINC001107174497 757287698 /nfs/dbraw/zinc/28/76/98/757287698.db2.gz SLZQMPGRLSGFFO-UHFFFAOYSA-N 1 2 346.391 0.566 20 30 ECEDLO N#Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cc[nH]n3)C2)ccc1F ZINC001076828752 757291581 /nfs/dbraw/zinc/29/15/81/757291581.db2.gz OIXVMWYVSZLSBL-HZPDHXFCSA-N 1 2 343.362 0.324 20 30 ECEDLO N#Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cc[nH]n3)C2)ccc1F ZINC001076828752 757291587 /nfs/dbraw/zinc/29/15/87/757291587.db2.gz OIXVMWYVSZLSBL-HZPDHXFCSA-N 1 2 343.362 0.324 20 30 ECEDLO COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001076854803 757395304 /nfs/dbraw/zinc/39/53/04/757395304.db2.gz SZLPZWILGIQWED-HUUCEWRRSA-N 1 2 341.371 0.265 20 30 ECEDLO COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001076854803 757395307 /nfs/dbraw/zinc/39/53/07/757395307.db2.gz SZLPZWILGIQWED-HUUCEWRRSA-N 1 2 341.371 0.265 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H](OC)[C@H]3CCOC3)nn2)C1 ZINC001107190533 757437715 /nfs/dbraw/zinc/43/77/15/757437715.db2.gz WLTCPSRFCPXNNB-BBRMVZONSA-N 1 2 349.435 0.379 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCCO3)C2)cc1F ZINC001076886051 757468052 /nfs/dbraw/zinc/46/80/52/757468052.db2.gz WNRZNPCHLIIEOQ-BRWVUGGUSA-N 1 2 347.390 0.928 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCCO3)C2)cc1F ZINC001076886051 757468057 /nfs/dbraw/zinc/46/80/57/757468057.db2.gz WNRZNPCHLIIEOQ-BRWVUGGUSA-N 1 2 347.390 0.928 20 30 ECEDLO Cn1[nH]c(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C(=O)C#CC3CC3)C2)nc1=O ZINC001021583147 757639809 /nfs/dbraw/zinc/63/98/09/757639809.db2.gz FKWPGJFZHPRWFJ-HUUCEWRRSA-N 1 2 343.431 0.335 20 30 ECEDLO Cn1[nH]c(C[N@H+]2CC[C@@H]3[C@H](CCCN3C(=O)C#CC3CC3)C2)nc1=O ZINC001021583147 757639815 /nfs/dbraw/zinc/63/98/15/757639815.db2.gz FKWPGJFZHPRWFJ-HUUCEWRRSA-N 1 2 343.431 0.335 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)[C@@H]3CCCO3)nn2)C1 ZINC001107208317 757677863 /nfs/dbraw/zinc/67/78/63/757677863.db2.gz YMNUXFVLFLZCBO-CJNGLKHVSA-N 1 2 331.420 0.589 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC000996450886 757715895 /nfs/dbraw/zinc/71/58/95/757715895.db2.gz WNDQIRAZYKJWCY-RDJZCZTQSA-N 1 2 346.431 0.661 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3CC(C)(C)C3)C2)C1=O ZINC001076955762 757740382 /nfs/dbraw/zinc/74/03/82/757740382.db2.gz UDRYIWYFRVFRKI-QLFBSQMISA-N 1 2 335.448 0.371 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC(C)(C)C3)C2)C1=O ZINC001076955762 757740390 /nfs/dbraw/zinc/74/03/90/757740390.db2.gz UDRYIWYFRVFRKI-QLFBSQMISA-N 1 2 335.448 0.371 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@H+](Cc4nncn4C)C[C@@H]3C2)c1 ZINC001049047364 757772787 /nfs/dbraw/zinc/77/27/87/757772787.db2.gz FOFVHKCLCFQIFU-IYBDPMFKSA-N 1 2 336.399 0.395 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+](Cc4nncn4C)C[C@@H]3C2)c1 ZINC001049047364 757772796 /nfs/dbraw/zinc/77/27/96/757772796.db2.gz FOFVHKCLCFQIFU-IYBDPMFKSA-N 1 2 336.399 0.395 20 30 ECEDLO C[C@@H](CC(=O)NCc1cn(C2CN(CC#N)C2)nn1)n1cc[nH+]c1 ZINC001107216230 757798615 /nfs/dbraw/zinc/79/86/15/757798615.db2.gz YXWNNUKICSAOGH-LBPRGKRZSA-N 1 2 328.380 0.122 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3C3CC3)nn2)C1 ZINC001107217434 757822720 /nfs/dbraw/zinc/82/27/20/757822720.db2.gz LCEVNZZKRQLMEV-DLBZAZTESA-N 1 2 345.447 1.000 20 30 ECEDLO C#CCCCC(=O)N1CC[C@H](n2cc(C[NH2+]CC(=O)N(C)C)nn2)C1 ZINC001098667377 757827801 /nfs/dbraw/zinc/82/78/01/757827801.db2.gz YKHIGLIEVJXXKZ-HNNXBMFYSA-N 1 2 346.435 0.033 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@]3(C)CCN(C(C)=O)C3)nn2)C1 ZINC001107227096 757886070 /nfs/dbraw/zinc/88/60/70/757886070.db2.gz CWLYGRGCAGSSIG-KRWDZBQOSA-N 1 2 346.435 0.196 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn([C@H](C)COC)nc2C)C1 ZINC001076997034 757898575 /nfs/dbraw/zinc/89/85/75/757898575.db2.gz ZZSOXFLUOVBINW-DAXOMENPSA-N 1 2 334.420 0.197 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn([C@H](C)COC)nc2C)C1 ZINC001076997034 757898590 /nfs/dbraw/zinc/89/85/90/757898590.db2.gz ZZSOXFLUOVBINW-DAXOMENPSA-N 1 2 334.420 0.197 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCn3cc(Cl)cn3)nn2)C1 ZINC001107238631 758031550 /nfs/dbraw/zinc/03/15/50/758031550.db2.gz HWVDRFKQJQHJIT-UHFFFAOYSA-N 1 2 349.826 0.877 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCCCC(=O)NC)nn2)C1 ZINC001107240756 758041567 /nfs/dbraw/zinc/04/15/67/758041567.db2.gz HKRKSTXKFBGTLR-UHFFFAOYSA-N 1 2 334.424 0.243 20 30 ECEDLO C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001049153329 758146552 /nfs/dbraw/zinc/14/65/52/758146552.db2.gz XEGCPORYADXDKU-GJZGRUSLSA-N 1 2 334.420 0.647 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)NC/C=C/CNc1cnc(C#N)cn1 ZINC001107297467 758196034 /nfs/dbraw/zinc/19/60/34/758196034.db2.gz IJDWFWKSQLTESR-NSCUHMNNSA-N 1 2 325.376 0.799 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)NC/C=C\CNc1cncc(C#N)n1 ZINC001107297894 758197367 /nfs/dbraw/zinc/19/73/67/758197367.db2.gz PVDHUOMVIIYNFJ-IHWYPQMZSA-N 1 2 325.376 0.799 20 30 ECEDLO Cc1ncc(CC(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)o1 ZINC001077127822 758264223 /nfs/dbraw/zinc/26/42/23/758264223.db2.gz KCJLFWXEIOCHRQ-QZTJIDSGSA-N 1 2 339.395 0.739 20 30 ECEDLO Cc1ncc(CC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)o1 ZINC001077127822 758264231 /nfs/dbraw/zinc/26/42/31/758264231.db2.gz KCJLFWXEIOCHRQ-QZTJIDSGSA-N 1 2 339.395 0.739 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001049192929 758264843 /nfs/dbraw/zinc/26/48/43/758264843.db2.gz IWAHOWDMOJGAOY-KBPBESRZSA-N 1 2 348.447 0.595 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(CC)C2=O)C[C@H]1O ZINC001077138998 758295425 /nfs/dbraw/zinc/29/54/25/758295425.db2.gz SVIGAAMKSUSVIM-FVQBIDKESA-N 1 2 346.431 0.070 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(CC)C2=O)C[C@H]1O ZINC001077138998 758295429 /nfs/dbraw/zinc/29/54/29/758295429.db2.gz SVIGAAMKSUSVIM-FVQBIDKESA-N 1 2 346.431 0.070 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(C)cs2)C[C@H]1O ZINC001077158615 758374328 /nfs/dbraw/zinc/37/43/28/758374328.db2.gz OFGZEPNALPKVQD-QLFBSQMISA-N 1 2 348.472 0.210 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(C)cs2)C[C@H]1O ZINC001077158615 758374339 /nfs/dbraw/zinc/37/43/39/758374339.db2.gz OFGZEPNALPKVQD-QLFBSQMISA-N 1 2 348.472 0.210 20 30 ECEDLO N#Cc1nccc(NC/C=C\CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC001107394753 758453013 /nfs/dbraw/zinc/45/30/13/758453013.db2.gz PBBBUMIOZVYQRL-UIIMQBOASA-N 1 2 337.387 0.314 20 30 ECEDLO C=CCCCC(=O)N(C)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1O ZINC001049356262 758560765 /nfs/dbraw/zinc/56/07/65/758560765.db2.gz SBMUFPSEOUJGKI-GJZGRUSLSA-N 1 2 334.420 0.349 20 30 ECEDLO C=CC(C)(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001049640773 759041406 /nfs/dbraw/zinc/04/14/06/759041406.db2.gz ZLSOAIYBFZOENT-KBPBESRZSA-N 1 2 334.420 0.585 20 30 ECEDLO Cc1nsc(NC[C@H](O)CNC(=O)Cc2c[nH+]cn2C)c1C#N ZINC001105914554 762703934 /nfs/dbraw/zinc/70/39/34/762703934.db2.gz XSMCFYIJKGMQKI-LLVKDONJSA-N 1 2 334.405 0.188 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](C[C@@H]2CCc3ncnn32)C1 ZINC001031090099 767852837 /nfs/dbraw/zinc/85/28/37/767852837.db2.gz YMBVRLIAEBPRIG-DZKIICNBSA-N 1 2 331.420 0.547 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001012444339 760011973 /nfs/dbraw/zinc/01/19/73/760011973.db2.gz BAUKHCISLRBMDE-PWSUYJOCSA-N 1 2 326.360 0.571 20 30 ECEDLO C=CCOCCCC(=O)NCC[NH2+]Cc1nc(-c2ccncn2)no1 ZINC001125252983 760021814 /nfs/dbraw/zinc/02/18/14/760021814.db2.gz SGDVUYHUKLEAEF-UHFFFAOYSA-N 1 2 346.391 0.715 20 30 ECEDLO C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001050410352 760238885 /nfs/dbraw/zinc/23/88/85/760238885.db2.gz FNGBWQBGZSWYHL-TZMCWYRMSA-N 1 2 340.387 0.750 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCOC2)C1=O ZINC001017402291 767937823 /nfs/dbraw/zinc/93/78/23/767937823.db2.gz UTLNYMYZBIQXQZ-JONQDZQNSA-N 1 2 333.432 0.485 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCOC2)C1=O ZINC001017402291 767937826 /nfs/dbraw/zinc/93/78/26/767937826.db2.gz UTLNYMYZBIQXQZ-JONQDZQNSA-N 1 2 333.432 0.485 20 30 ECEDLO Cn1ncc(C[NH+]2CCC3(CN(C(=O)c4ccc(C#N)[nH]4)C3)CC2)n1 ZINC001050486958 760344885 /nfs/dbraw/zinc/34/48/85/760344885.db2.gz ABGUTWORGFWHOV-UHFFFAOYSA-N 1 2 339.403 0.753 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCCOC2)C1=O ZINC001017408624 767943802 /nfs/dbraw/zinc/94/38/02/767943802.db2.gz QTMCZZKOYNZPQH-WCXIOVBPSA-N 1 2 347.459 0.875 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCCOC2)C1=O ZINC001017408624 767943809 /nfs/dbraw/zinc/94/38/09/767943809.db2.gz QTMCZZKOYNZPQH-WCXIOVBPSA-N 1 2 347.459 0.875 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(c2nccnc2C#N)[C@@H]1C ZINC001050502233 760377263 /nfs/dbraw/zinc/37/72/63/760377263.db2.gz BYPIUDUDGAJQPU-NEPJUHHUSA-N 1 2 325.376 0.706 20 30 ECEDLO C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001050666590 760644601 /nfs/dbraw/zinc/64/46/01/760644601.db2.gz QTNKCIYUXAYMMC-HIFRSBDPSA-N 1 2 328.416 0.729 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CNc1nccnc1C#N ZINC001054426334 767970489 /nfs/dbraw/zinc/97/04/89/767970489.db2.gz UFNMTJJKXVMZCM-CHWSQXEVSA-N 1 2 339.403 0.831 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CNc1cnc(C#N)cn1 ZINC001054426986 767971366 /nfs/dbraw/zinc/97/13/66/767971366.db2.gz ZHCWLRDGXKPTPI-CHWSQXEVSA-N 1 2 339.403 0.831 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H]([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001050735633 760755909 /nfs/dbraw/zinc/75/59/09/760755909.db2.gz LQLWNMPHJOKZRA-KBPBESRZSA-N 1 2 332.404 0.345 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CC(Nc2ccnc(C#N)n2)C1 ZINC001127079995 760950803 /nfs/dbraw/zinc/95/08/03/760950803.db2.gz CGTTUJMOQNLSPW-LKSINWNRSA-N 1 2 339.403 0.773 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CC(Nc2ccnc(C#N)n2)C1 ZINC001127079995 760950809 /nfs/dbraw/zinc/95/08/09/760950809.db2.gz CGTTUJMOQNLSPW-LKSINWNRSA-N 1 2 339.403 0.773 20 30 ECEDLO CCCCn1nnnc1C[N@H+]1C[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C1 ZINC001048724700 761046758 /nfs/dbraw/zinc/04/67/58/761046758.db2.gz DPOTVTZPJBNFRZ-MCIONIFRSA-N 1 2 331.424 0.523 20 30 ECEDLO CCCCn1nnnc1C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C1 ZINC001048724700 761046769 /nfs/dbraw/zinc/04/67/69/761046769.db2.gz DPOTVTZPJBNFRZ-MCIONIFRSA-N 1 2 331.424 0.523 20 30 ECEDLO CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2cc(C#N)c[nH]2)C1=O ZINC001017455838 768003155 /nfs/dbraw/zinc/00/31/55/768003155.db2.gz SJHGNVZMMPWBEJ-IJEWVQPXSA-N 1 2 341.415 0.796 20 30 ECEDLO CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2cc(C#N)c[nH]2)C1=O ZINC001017455838 768003162 /nfs/dbraw/zinc/00/31/62/768003162.db2.gz SJHGNVZMMPWBEJ-IJEWVQPXSA-N 1 2 341.415 0.796 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[N@@H+](Cc4nncs4)C[C@@H]3C2)c1 ZINC001048748180 761105850 /nfs/dbraw/zinc/10/58/50/761105850.db2.gz CAJMWYXPYQPCHO-TXEJJXNPSA-N 1 2 328.401 0.942 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[N@H+](Cc4nncs4)C[C@@H]3C2)c1 ZINC001048748180 761105854 /nfs/dbraw/zinc/10/58/54/761105854.db2.gz CAJMWYXPYQPCHO-TXEJJXNPSA-N 1 2 328.401 0.942 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCC#C)C[C@H]1OC ZINC001212148149 761243551 /nfs/dbraw/zinc/24/35/51/761243551.db2.gz BPVMHKNRTWNXGK-ARFHVFGLSA-N 1 2 333.432 0.133 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCC#C)C[C@H]1OC ZINC001212148149 761243555 /nfs/dbraw/zinc/24/35/55/761243555.db2.gz BPVMHKNRTWNXGK-ARFHVFGLSA-N 1 2 333.432 0.133 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc2c(c1)nnn2C ZINC001050986721 761278488 /nfs/dbraw/zinc/27/84/88/761278488.db2.gz NDXZCPXDIFNWIF-CQSZACIVSA-N 1 2 329.404 0.975 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc2c(c1)nnn2C ZINC001050986721 761278491 /nfs/dbraw/zinc/27/84/91/761278491.db2.gz NDXZCPXDIFNWIF-CQSZACIVSA-N 1 2 329.404 0.975 20 30 ECEDLO Cc1nc(N2CC[C@@H](n3cc(CNC(=O)[C@@H](C)C#N)nn3)C2)cc[nH+]1 ZINC001127103750 761279089 /nfs/dbraw/zinc/27/90/89/761279089.db2.gz GGZACSSXHQGFNJ-SMDDNHRTSA-N 1 2 340.391 0.604 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1c[nH]nc1[C@H]1CCOC1 ZINC001051046225 761387311 /nfs/dbraw/zinc/38/73/11/761387311.db2.gz JVQJJKICFVBHAH-UONOGXRCSA-N 1 2 334.420 0.920 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1c[nH]nc1[C@H]1CCOC1 ZINC001051046225 761387320 /nfs/dbraw/zinc/38/73/20/761387320.db2.gz JVQJJKICFVBHAH-UONOGXRCSA-N 1 2 334.420 0.920 20 30 ECEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H](CCC)NC(N)=O)CC2)C1 ZINC001105733458 761407657 /nfs/dbraw/zinc/40/76/57/761407657.db2.gz ARXXZZLKDPFNEO-OAHLLOKOSA-N 1 2 338.452 0.701 20 30 ECEDLO CN1CCC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(C#N)[nH]2)C1=O ZINC001017479629 768050353 /nfs/dbraw/zinc/05/03/53/768050353.db2.gz BMTLEJOJXXQWDP-IJEWVQPXSA-N 1 2 341.415 0.796 20 30 ECEDLO CN1CCC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(C#N)[nH]2)C1=O ZINC001017479629 768050358 /nfs/dbraw/zinc/05/03/58/768050358.db2.gz BMTLEJOJXXQWDP-IJEWVQPXSA-N 1 2 341.415 0.796 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2COCC[N@@H+]2CC[C@@H]2CCCO2)nn1 ZINC001051152098 761570878 /nfs/dbraw/zinc/57/08/78/761570878.db2.gz CIUWESMUWQHQAM-GJZGRUSLSA-N 1 2 349.435 0.464 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2COCC[N@H+]2CC[C@@H]2CCCO2)nn1 ZINC001051152098 761570884 /nfs/dbraw/zinc/57/08/84/761570884.db2.gz CIUWESMUWQHQAM-GJZGRUSLSA-N 1 2 349.435 0.464 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1nc2ncccn2n1 ZINC001051175235 761616321 /nfs/dbraw/zinc/61/63/21/761616321.db2.gz QNNXIUQIPOLCHO-CYBMUJFWSA-N 1 2 330.392 0.521 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1nc2ncccn2n1 ZINC001051175235 761616326 /nfs/dbraw/zinc/61/63/26/761616326.db2.gz QNNXIUQIPOLCHO-CYBMUJFWSA-N 1 2 330.392 0.521 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001051199849 761673606 /nfs/dbraw/zinc/67/36/06/761673606.db2.gz IOQPSANHLLAXJT-KGLIPLIRSA-N 1 2 335.408 0.246 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001051199849 761673608 /nfs/dbraw/zinc/67/36/08/761673608.db2.gz IOQPSANHLLAXJT-KGLIPLIRSA-N 1 2 335.408 0.246 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC001051209629 761693208 /nfs/dbraw/zinc/69/32/08/761693208.db2.gz LKKJLNBGRPLKQO-KGLIPLIRSA-N 1 2 333.436 0.693 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC001051209629 761693211 /nfs/dbraw/zinc/69/32/11/761693211.db2.gz LKKJLNBGRPLKQO-KGLIPLIRSA-N 1 2 333.436 0.693 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](O)C2)C1 ZINC000991577821 761749809 /nfs/dbraw/zinc/74/98/09/761749809.db2.gz XQDSIYQUFAXFSP-ZIAGYGMSSA-N 1 2 332.404 0.317 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc(-n2cnnn2)c1 ZINC001051245162 761752418 /nfs/dbraw/zinc/75/24/18/761752418.db2.gz ZZJAKXXGYQTREC-INIZCTEOSA-N 1 2 342.403 0.669 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc(-n2cnnn2)c1 ZINC001051245162 761752421 /nfs/dbraw/zinc/75/24/21/761752421.db2.gz ZZJAKXXGYQTREC-INIZCTEOSA-N 1 2 342.403 0.669 20 30 ECEDLO N#Cc1c(F)cccc1N1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001051699191 762726361 /nfs/dbraw/zinc/72/63/61/762726361.db2.gz FLUFFQPRRSFFAC-HOCLYGCPSA-N 1 2 343.362 0.650 20 30 ECEDLO Cc1cc(N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](O)C2)c(C#N)cn1 ZINC001051717962 762787532 /nfs/dbraw/zinc/78/75/32/762787532.db2.gz LHGYVWMAJSUGOQ-UKRRQHHQSA-N 1 2 340.387 0.283 20 30 ECEDLO CN1C[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CC1=O ZINC001014619683 762915180 /nfs/dbraw/zinc/91/51/80/762915180.db2.gz VOQWCGIPGNBXRK-CABCVRRESA-N 1 2 344.390 0.866 20 30 ECEDLO CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CC1=O ZINC001014619683 762915186 /nfs/dbraw/zinc/91/51/86/762915186.db2.gz VOQWCGIPGNBXRK-CABCVRRESA-N 1 2 344.390 0.866 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H](O)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001105967044 763091979 /nfs/dbraw/zinc/09/19/79/763091979.db2.gz TYHCYYGNSMFMDS-AWEZNQCLSA-N 1 2 334.420 0.837 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@H]2O)C1 ZINC000991773067 763378706 /nfs/dbraw/zinc/37/87/06/763378706.db2.gz UZJQMQGQNDBSMU-HUUCEWRRSA-N 1 2 346.431 0.397 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC4(CCC4)C3)C2)C1=O ZINC001077536106 768129209 /nfs/dbraw/zinc/12/92/09/768129209.db2.gz AANPHLJJURPWPP-OWCLPIDISA-N 1 2 347.459 0.515 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3CC4(CCC4)C3)C2)C1=O ZINC001077536106 768129214 /nfs/dbraw/zinc/12/92/14/768129214.db2.gz AANPHLJJURPWPP-OWCLPIDISA-N 1 2 347.459 0.515 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)Cn3cc(C)cn3)C2)CC1 ZINC001051992693 763537679 /nfs/dbraw/zinc/53/76/79/763537679.db2.gz HLXVNHKQPNRDTD-KRWDZBQOSA-N 1 2 329.448 0.433 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(CCc3cnn(C)c3)CC2)C1 ZINC001051997350 763547218 /nfs/dbraw/zinc/54/72/18/763547218.db2.gz AMMYXCMFXSOWAQ-DOTOQJQBSA-N 1 2 344.463 0.341 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(Cc3csnn3)CC2)C1 ZINC001051998025 763549679 /nfs/dbraw/zinc/54/96/79/763549679.db2.gz MRLBZATXVHVGJK-JSGCOSHPSA-N 1 2 334.449 0.416 20 30 ECEDLO Cc1cc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)nn1C ZINC001051998121 763550625 /nfs/dbraw/zinc/55/06/25/763550625.db2.gz NKVKZXUUTCLWAH-WMLDXEAASA-N 1 2 344.463 0.607 20 30 ECEDLO Cc1cnc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)cn1 ZINC001051998582 763551732 /nfs/dbraw/zinc/55/17/32/763551732.db2.gz VWSASDCYJVDEGO-WMLDXEAASA-N 1 2 342.447 0.663 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H](C)CCNC(=O)CCn2cc[nH+]c2)nn1 ZINC001077573923 763557602 /nfs/dbraw/zinc/55/76/02/763557602.db2.gz RIJFYCGDEQHKGV-ZDUSSCGKSA-N 1 2 345.407 0.376 20 30 ECEDLO CCN(CCNc1ccnc(C#N)n1)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001106947430 763605079 /nfs/dbraw/zinc/60/50/79/763605079.db2.gz OTIYKTAKWGGHHA-LBPRGKRZSA-N 1 2 339.403 0.874 20 30 ECEDLO Cc1nnc(CN2CC[NH+]([C@@H]3CCN(C(=O)C#CC4CC4)C3)CC2)o1 ZINC001052026294 763618922 /nfs/dbraw/zinc/61/89/22/763618922.db2.gz OCHCKDLNOJSPTA-MRXNPFEDSA-N 1 2 343.431 0.510 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn4c(n3)CCC4)C2)CC1 ZINC001052027991 763624022 /nfs/dbraw/zinc/62/40/22/763624022.db2.gz MICVSLNKGSEALB-AWEZNQCLSA-N 1 2 328.420 0.185 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)C3(c4ccccn4)CC3)C2)CC1 ZINC001052028768 763625127 /nfs/dbraw/zinc/62/51/27/763625127.db2.gz STJAKIMWPYTYIX-INIZCTEOSA-N 1 2 339.443 0.855 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccnn3C3CCC3)C2)CC1 ZINC001052029015 763625234 /nfs/dbraw/zinc/62/52/34/763625234.db2.gz WDXJIZPGGMAMOE-MRXNPFEDSA-N 1 2 342.447 0.964 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@]34C[C@H]3COC4)C2)CC1 ZINC001052031853 763633605 /nfs/dbraw/zinc/63/36/05/763633605.db2.gz YVFYAMFPOMWGAN-ZOBUZTSGSA-N 1 2 339.867 0.994 20 30 ECEDLO Cn1cc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)c(C2CC2)n1 ZINC001052035173 763640500 /nfs/dbraw/zinc/64/05/00/763640500.db2.gz CPZWRSVVCRWSOR-HNNXBMFYSA-N 1 2 342.447 0.653 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccnc4ccnn43)C2)CC1 ZINC001052036277 763648230 /nfs/dbraw/zinc/64/82/30/763648230.db2.gz JUOIIPMOTQTKFZ-CQSZACIVSA-N 1 2 339.403 0.085 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccnc4ccnn43)C2)CC1 ZINC001052036798 763651193 /nfs/dbraw/zinc/65/11/93/763651193.db2.gz VOIBUAUBUBTECH-OAHLLOKOSA-N 1 2 340.431 0.747 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCNC3=O)C2)CC1 ZINC001052037275 763654168 /nfs/dbraw/zinc/65/41/68/763654168.db2.gz JLRMZAPQPQAJPN-HZPDHXFCSA-N 1 2 334.464 0.307 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3CCN(C)C3=O)C2)CC1 ZINC001052040809 763663944 /nfs/dbraw/zinc/66/39/44/763663944.db2.gz LCPMREGNSNKFPB-IAGOWNOFSA-N 1 2 348.491 0.649 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnc[nH]c3=O)C2)CC1 ZINC001052041235 763665254 /nfs/dbraw/zinc/66/52/54/763665254.db2.gz WPMXQXIOXSNFAO-AWEZNQCLSA-N 1 2 329.404 0.038 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)C2)CC1 ZINC001052045443 763683475 /nfs/dbraw/zinc/68/34/75/763683475.db2.gz SXBAVNIAHMCKQW-SJORKVTESA-N 1 2 346.475 0.097 20 30 ECEDLO COc1ccc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)cn1 ZINC001052047054 763688562 /nfs/dbraw/zinc/68/85/62/763688562.db2.gz HSALNMOQKOBELV-HNNXBMFYSA-N 1 2 329.404 0.446 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3Cc4ccccc4O3)C2)CC1 ZINC001052047631 763691018 /nfs/dbraw/zinc/69/10/18/763691018.db2.gz ULGLWPXTZCZASY-IEBWSBKVSA-N 1 2 339.439 0.842 20 30 ECEDLO CCc1c(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)cnn1C ZINC001052047881 763692758 /nfs/dbraw/zinc/69/27/58/763692758.db2.gz DLKYAVADYYBXND-CQSZACIVSA-N 1 2 330.436 0.338 20 30 ECEDLO CCc1c(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)cnn1C ZINC001052047880 763692900 /nfs/dbraw/zinc/69/29/00/763692900.db2.gz DLKYAVADYYBXND-AWEZNQCLSA-N 1 2 330.436 0.338 20 30 ECEDLO N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cn1 ZINC001106016765 763700588 /nfs/dbraw/zinc/70/05/88/763700588.db2.gz XBPFXAPCEVXNLX-DOMZBBRYSA-N 1 2 340.387 0.301 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@]3(C)CNC(=O)C3)C2)CC1 ZINC001052057722 763732350 /nfs/dbraw/zinc/73/23/50/763732350.db2.gz RWNWOBMNKXASCS-MAUKXSAKSA-N 1 2 334.464 0.307 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c(C)nn(C)c3C)C2)CC1 ZINC001052058813 763736463 /nfs/dbraw/zinc/73/64/63/763736463.db2.gz AOAXBEYLAZCDQG-MRXNPFEDSA-N 1 2 329.448 0.502 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C3(c4cccnc4)CC3)C2)CC1 ZINC001052068653 763763412 /nfs/dbraw/zinc/76/34/12/763763412.db2.gz MALMKWNRORBGKX-GOSISDBHSA-N 1 2 338.455 0.965 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCc4cccnc43)C2)CC1 ZINC001052068630 763763446 /nfs/dbraw/zinc/76/34/46/763763446.db2.gz LLAVPPHXKDELBF-ROUUACIJSA-N 1 2 338.455 0.963 20 30 ECEDLO CN1CC(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3)C2)=NC1=O ZINC001031951715 763765026 /nfs/dbraw/zinc/76/50/26/763765026.db2.gz VOBGDTPNSSHWIS-UHFFFAOYSA-N 1 2 325.372 0.859 20 30 ECEDLO C=C1CCC(C(=O)N2CC(O)(CNC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001047177498 763769774 /nfs/dbraw/zinc/76/97/74/763769774.db2.gz QQQIDUJFQMSONM-UHFFFAOYSA-N 1 2 332.404 0.388 20 30 ECEDLO C=C1CCC(C(=O)N2CC[C@@H]([NH+]3CCN([C@H](C)C(N)=O)CC3)C2)CC1 ZINC001052072794 763775726 /nfs/dbraw/zinc/77/57/26/763775726.db2.gz CCXLENSTTWSUIE-NVXWUHKLSA-N 1 2 348.491 0.825 20 30 ECEDLO C=CCC1(C(=O)N2CC(O)(CNC(=O)Cc3c[nH]c[nH+]3)C2)CCCC1 ZINC001047189009 763784450 /nfs/dbraw/zinc/78/44/50/763784450.db2.gz ZHZVJHSBDULQSJ-UHFFFAOYSA-N 1 2 346.431 0.778 20 30 ECEDLO N#CCOc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cn[nH]n3)C2)cc1 ZINC001015060858 763785505 /nfs/dbraw/zinc/78/55/05/763785505.db2.gz MMXAEEAUZIVKNL-CYBMUJFWSA-N 1 2 326.360 0.711 20 30 ECEDLO N#CCOc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cn[nH]n3)C2)cc1 ZINC001015060858 763785508 /nfs/dbraw/zinc/78/55/08/763785508.db2.gz MMXAEEAUZIVKNL-CYBMUJFWSA-N 1 2 326.360 0.711 20 30 ECEDLO N#CCOc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cnn[nH]3)C2)cc1 ZINC001015060858 763785513 /nfs/dbraw/zinc/78/55/13/763785513.db2.gz MMXAEEAUZIVKNL-CYBMUJFWSA-N 1 2 326.360 0.711 20 30 ECEDLO N#CCOc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cnn[nH]3)C2)cc1 ZINC001015060858 763785518 /nfs/dbraw/zinc/78/55/18/763785518.db2.gz MMXAEEAUZIVKNL-CYBMUJFWSA-N 1 2 326.360 0.711 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCCC(=O)N3)C2)CC1 ZINC001052079248 763792259 /nfs/dbraw/zinc/79/22/59/763792259.db2.gz HBMGVWZCZGWDKU-IRXDYDNUSA-N 1 2 348.491 0.840 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)c3cccc(=O)n3C)C2)CC1 ZINC001052079555 763793323 /nfs/dbraw/zinc/79/33/23/763793323.db2.gz CTECOGKTAQWGNP-INIZCTEOSA-N 1 2 342.443 0.241 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)Oc3cccnc3)C2)CC1 ZINC001052079517 763793991 /nfs/dbraw/zinc/79/39/91/763793991.db2.gz BWIRISIIKQDVOX-DLBZAZTESA-N 1 2 342.443 0.701 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([NH+]3CCN([C@@H](C)C(=O)NC)CC3)C2)C1 ZINC001052081517 763798414 /nfs/dbraw/zinc/79/84/14/763798414.db2.gz MTZIHEBDJPFIHF-JKSUJKDBSA-N 1 2 348.491 0.696 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@H](N3CC[NH+]([C@@H](C)C(=O)NC)CC3)C2)C1 ZINC001052081517 763798421 /nfs/dbraw/zinc/79/84/21/763798421.db2.gz MTZIHEBDJPFIHF-JKSUJKDBSA-N 1 2 348.491 0.696 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C3(CF)CCOCC3)C2)CC1 ZINC001052083492 763805528 /nfs/dbraw/zinc/80/55/28/763805528.db2.gz MKPJPWMBUZPNQU-MRXNPFEDSA-N 1 2 337.439 0.604 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3noc4c3CCCC4)C2)CC1 ZINC001052086718 763816413 /nfs/dbraw/zinc/81/64/13/763816413.db2.gz GNCIABSRFCWITN-CQSZACIVSA-N 1 2 343.431 0.909 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)Cn3nccc3C)C2)CC1 ZINC001052088519 763822221 /nfs/dbraw/zinc/82/22/21/763822221.db2.gz KPSUGVBUGOAGCP-QGZVFWFLSA-N 1 2 329.448 0.433 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cn(CC)nc3C)C2)CC1 ZINC001052089147 763823168 /nfs/dbraw/zinc/82/31/68/763823168.db2.gz OHYYEFLAUZGFMA-INIZCTEOSA-N 1 2 329.448 0.677 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccnc(N(C)C)c3)C2)CC1 ZINC001052093080 763835185 /nfs/dbraw/zinc/83/51/85/763835185.db2.gz KMIDLEYKTOZEBP-KRWDZBQOSA-N 1 2 341.459 0.613 20 30 ECEDLO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)nc(C)n1 ZINC001052097475 763850806 /nfs/dbraw/zinc/85/08/06/763850806.db2.gz ZKIDLHMGNDFHKT-HNNXBMFYSA-N 1 2 328.420 0.449 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCCN1C(=O)C#CC1CC1 ZINC001015087701 763856794 /nfs/dbraw/zinc/85/67/94/763856794.db2.gz VTCJEDKKSCYBAL-BBRMVZONSA-N 1 2 328.416 0.872 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CCC[C@H]3CC)C2)CC1 ZINC001052103135 763867670 /nfs/dbraw/zinc/86/76/70/763867670.db2.gz MXEPXFLGGHKKAO-SJORKVTESA-N 1 2 346.475 0.239 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)C(=O)N3CCC[C@H]3CC)C2)CC1 ZINC001052103135 763867675 /nfs/dbraw/zinc/86/76/75/763867675.db2.gz MXEPXFLGGHKKAO-SJORKVTESA-N 1 2 346.475 0.239 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CCC[C@@H]3CC)C2)CC1 ZINC001052103132 763867760 /nfs/dbraw/zinc/86/77/60/763867760.db2.gz MXEPXFLGGHKKAO-DLBZAZTESA-N 1 2 346.475 0.239 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C(=O)N3CCC[C@@H]3CC)C2)CC1 ZINC001052103132 763867765 /nfs/dbraw/zinc/86/77/65/763867765.db2.gz MXEPXFLGGHKKAO-DLBZAZTESA-N 1 2 346.475 0.239 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3nonc3C)C2)CC1 ZINC001052102879 763868199 /nfs/dbraw/zinc/86/81/99/763868199.db2.gz JYROUQOZYQODLU-HNNXBMFYSA-N 1 2 331.420 0.162 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@H](C)COC)C2)nn1 ZINC001098761238 763906812 /nfs/dbraw/zinc/90/68/12/763906812.db2.gz CVTXBTSUGWFFBY-HOCLYGCPSA-N 1 2 333.436 0.837 20 30 ECEDLO CN(C(=O)[C@@H]1CCCO1)[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC001047295330 763911396 /nfs/dbraw/zinc/91/13/96/763911396.db2.gz KZOQAXWRIYHBNV-ULQDDVLXSA-N 1 2 347.390 0.880 20 30 ECEDLO CN(C(=O)[C@@H]1CCCO1)[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC001047295330 763911402 /nfs/dbraw/zinc/91/14/02/763911402.db2.gz KZOQAXWRIYHBNV-ULQDDVLXSA-N 1 2 347.390 0.880 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cn3ccccc3=O)C2)CC1 ZINC001052117586 763928867 /nfs/dbraw/zinc/92/88/67/763928867.db2.gz UOLDUMFSILAHLP-QGZVFWFLSA-N 1 2 342.443 0.090 20 30 ECEDLO C=CCN1CC[C@@H](N2CC(NC(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1=O ZINC001030555024 763933905 /nfs/dbraw/zinc/93/39/05/763933905.db2.gz SAYGGBSAWOZEDB-XJKSGUPXSA-N 1 2 343.431 0.033 20 30 ECEDLO NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031981865 763958749 /nfs/dbraw/zinc/95/87/49/763958749.db2.gz VRNLOONHBNZTJA-CVEARBPZSA-N 1 2 329.375 0.347 20 30 ECEDLO CN(C(=O)c1ccnn1C)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047322344 763991579 /nfs/dbraw/zinc/99/15/79/763991579.db2.gz HYSRAZMHSURFEW-ROUUACIJSA-N 1 2 338.411 0.589 20 30 ECEDLO CN(C(=O)c1ccnn1C)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047322344 763991582 /nfs/dbraw/zinc/99/15/82/763991582.db2.gz HYSRAZMHSURFEW-ROUUACIJSA-N 1 2 338.411 0.589 20 30 ECEDLO CN(C(=O)c1cnnn1C)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047367701 764131551 /nfs/dbraw/zinc/13/15/51/764131551.db2.gz NLLUHXUWALPAMA-KBPBESRZSA-N 1 2 346.416 0.066 20 30 ECEDLO CN(C(=O)c1cnnn1C)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047367701 764131557 /nfs/dbraw/zinc/13/15/57/764131557.db2.gz NLLUHXUWALPAMA-KBPBESRZSA-N 1 2 346.416 0.066 20 30 ECEDLO C=CCn1cc(C(=O)NCC2C[NH+]([C@H](C)c3cnccn3)C2)nn1 ZINC001032035639 764224652 /nfs/dbraw/zinc/22/46/52/764224652.db2.gz IPHATOOUQPIDGH-GFCCVEGCSA-N 1 2 327.392 0.677 20 30 ECEDLO Cn1nnnc1C[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001052315990 764237612 /nfs/dbraw/zinc/23/76/12/764237612.db2.gz VTFPFQKQHVPFLZ-LBPRGKRZSA-N 1 2 328.380 0.194 20 30 ECEDLO Cn1nnnc1C[N@H+]1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001052315990 764237619 /nfs/dbraw/zinc/23/76/19/764237619.db2.gz VTFPFQKQHVPFLZ-LBPRGKRZSA-N 1 2 328.380 0.194 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)oc3nc[nH]c(=O)c32)C1 ZINC001047408834 764254338 /nfs/dbraw/zinc/25/43/38/764254338.db2.gz FFGBFGTVXAEFTD-RYUDHWBXSA-N 1 2 344.371 0.377 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)oc3nc[nH]c(=O)c32)C1 ZINC001047408834 764254339 /nfs/dbraw/zinc/25/43/39/764254339.db2.gz FFGBFGTVXAEFTD-RYUDHWBXSA-N 1 2 344.371 0.377 20 30 ECEDLO C[C@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)CNC(=O)C1 ZINC001015374249 764469363 /nfs/dbraw/zinc/46/93/63/764469363.db2.gz BRHQULLTQIKULG-CRAIPNDOSA-N 1 2 326.400 0.775 20 30 ECEDLO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CNC(=O)C1 ZINC001015374249 764469368 /nfs/dbraw/zinc/46/93/68/764469368.db2.gz BRHQULLTQIKULG-CRAIPNDOSA-N 1 2 326.400 0.775 20 30 ECEDLO C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001052457970 764542851 /nfs/dbraw/zinc/54/28/51/764542851.db2.gz XFXHXJKOOMCRFV-KGLIPLIRSA-N 1 2 346.435 0.079 20 30 ECEDLO C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001052457970 764542858 /nfs/dbraw/zinc/54/28/58/764542858.db2.gz XFXHXJKOOMCRFV-KGLIPLIRSA-N 1 2 346.435 0.079 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001052457970 764542863 /nfs/dbraw/zinc/54/28/63/764542863.db2.gz XFXHXJKOOMCRFV-KGLIPLIRSA-N 1 2 346.435 0.079 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001052457970 764542867 /nfs/dbraw/zinc/54/28/67/764542867.db2.gz XFXHXJKOOMCRFV-KGLIPLIRSA-N 1 2 346.435 0.079 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(CN3CCCC3)on2)C1 ZINC001047529342 764607571 /nfs/dbraw/zinc/60/75/71/764607571.db2.gz ZDYBARHIPIRZMP-IRXDYDNUSA-N 1 2 348.447 0.964 20 30 ECEDLO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(CN3CCCC3)on2)C1 ZINC001047529342 764607578 /nfs/dbraw/zinc/60/75/78/764607578.db2.gz ZDYBARHIPIRZMP-IRXDYDNUSA-N 1 2 348.447 0.964 20 30 ECEDLO CN(C(=O)c1cnn(C)n1)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047563521 764700724 /nfs/dbraw/zinc/70/07/24/764700724.db2.gz NRGJKFFWLGJADF-KBPBESRZSA-N 1 2 346.416 0.066 20 30 ECEDLO CN(C(=O)c1cnn(C)n1)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047563521 764700730 /nfs/dbraw/zinc/70/07/30/764700730.db2.gz NRGJKFFWLGJADF-KBPBESRZSA-N 1 2 346.416 0.066 20 30 ECEDLO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)(F)F)[nH]n2)C1 ZINC001047564747 764704391 /nfs/dbraw/zinc/70/43/91/764704391.db2.gz AYQQZRJTCHRKSC-QWRGUYRKSA-N 1 2 330.310 0.569 20 30 ECEDLO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)(F)F)[nH]n2)C1 ZINC001047564747 764704403 /nfs/dbraw/zinc/70/44/03/764704403.db2.gz AYQQZRJTCHRKSC-QWRGUYRKSA-N 1 2 330.310 0.569 20 30 ECEDLO C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001052547242 764731402 /nfs/dbraw/zinc/73/14/02/764731402.db2.gz CXAYZMJQSUWTOC-HOCLYGCPSA-N 1 2 342.443 0.977 20 30 ECEDLO CN(C(=O)[C@]1(C)CCOC1)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047579491 764759597 /nfs/dbraw/zinc/75/95/97/764759597.db2.gz QOUFQFXKEDKXPL-CMKODMSKSA-N 1 2 342.439 0.968 20 30 ECEDLO CN(C(=O)[C@]1(C)CCOC1)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047579491 764759603 /nfs/dbraw/zinc/75/96/03/764759603.db2.gz QOUFQFXKEDKXPL-CMKODMSKSA-N 1 2 342.439 0.968 20 30 ECEDLO C#CCOc1ncccc1C(=O)NCC1C[NH+](Cc2cncn2C)C1 ZINC001032136231 764786640 /nfs/dbraw/zinc/78/66/40/764786640.db2.gz GWHCDGUGEHZCEZ-UHFFFAOYSA-N 1 2 339.399 0.689 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CCCC)c2CC)C1 ZINC001047593131 764809995 /nfs/dbraw/zinc/80/99/95/764809995.db2.gz UMVBQXOAFWLOMH-IRXDYDNUSA-N 1 2 332.448 0.996 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CCCC)c2CC)C1 ZINC001047593131 764810000 /nfs/dbraw/zinc/81/00/00/764810000.db2.gz UMVBQXOAFWLOMH-IRXDYDNUSA-N 1 2 332.448 0.996 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CN(Cc3c[nH+]cn3C)C[C@@H]2O)cn1 ZINC001047601837 764845363 /nfs/dbraw/zinc/84/53/63/764845363.db2.gz NJRHEQOVQXBBLM-IRXDYDNUSA-N 1 2 339.399 0.114 20 30 ECEDLO CN1C[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)NC1=O ZINC001015516059 764856901 /nfs/dbraw/zinc/85/69/01/764856901.db2.gz ZKLSRVYJWGPDAU-UKRRQHHQSA-N 1 2 345.378 0.411 20 30 ECEDLO CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)NC1=O ZINC001015516059 764856910 /nfs/dbraw/zinc/85/69/10/764856910.db2.gz ZKLSRVYJWGPDAU-UKRRQHHQSA-N 1 2 345.378 0.411 20 30 ECEDLO COCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2nccnc2C#N)C1 ZINC001052718956 765040139 /nfs/dbraw/zinc/04/01/39/765040139.db2.gz UBRRDURPLBAQFG-DGCLKSJQSA-N 1 2 341.375 0.135 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(=O)cn3)C2)c(F)c1 ZINC001015625546 765097276 /nfs/dbraw/zinc/09/72/76/765097276.db2.gz BPKGDVJTTOJFSI-CYBMUJFWSA-N 1 2 341.346 0.785 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3c[nH]c(=O)cn3)C2)c(F)c1 ZINC001015625546 765097284 /nfs/dbraw/zinc/09/72/84/765097284.db2.gz BPKGDVJTTOJFSI-CYBMUJFWSA-N 1 2 341.346 0.785 20 30 ECEDLO C=CCCC(=O)N1CCC(=O)NCCN(c2cc[nH+]c(C)n2)CC1 ZINC001089101241 765160708 /nfs/dbraw/zinc/16/07/08/765160708.db2.gz OOIOKUUUUFTDCK-UHFFFAOYSA-N 1 2 331.420 0.906 20 30 ECEDLO C[C@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CCNC1=O ZINC001015695475 765176924 /nfs/dbraw/zinc/17/69/24/765176924.db2.gz KSGRMOQHSDDVQH-KDOFPFPSSA-N 1 2 344.390 0.914 20 30 ECEDLO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CCNC1=O ZINC001015695475 765176927 /nfs/dbraw/zinc/17/69/27/765176927.db2.gz KSGRMOQHSDDVQH-KDOFPFPSSA-N 1 2 344.390 0.914 20 30 ECEDLO C[C@@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)CCNC1=O ZINC001015695293 765177277 /nfs/dbraw/zinc/17/72/77/765177277.db2.gz IHMTUJPGBCTXNR-CRAIPNDOSA-N 1 2 326.400 0.775 20 30 ECEDLO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CCNC1=O ZINC001015695293 765177282 /nfs/dbraw/zinc/17/72/82/765177282.db2.gz IHMTUJPGBCTXNR-CRAIPNDOSA-N 1 2 326.400 0.775 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001015726100 765242514 /nfs/dbraw/zinc/24/25/14/765242514.db2.gz JRZJZDPQTSWDOM-XPKDYRNWSA-N 1 2 348.399 0.930 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001015726100 765242517 /nfs/dbraw/zinc/24/25/17/765242517.db2.gz JRZJZDPQTSWDOM-XPKDYRNWSA-N 1 2 348.399 0.930 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001017689006 768295116 /nfs/dbraw/zinc/29/51/16/768295116.db2.gz KYTMVTZWMCOHNS-BETUJISGSA-N 1 2 325.372 0.976 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001017689006 768295118 /nfs/dbraw/zinc/29/51/18/768295118.db2.gz KYTMVTZWMCOHNS-BETUJISGSA-N 1 2 325.372 0.976 20 30 ECEDLO C#CCCCC(=O)NC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001053035349 765510262 /nfs/dbraw/zinc/51/02/62/765510262.db2.gz VBQPBHUBSMRLHP-LSDHHAIUSA-N 1 2 330.432 0.977 20 30 ECEDLO C=CCOCC(=O)NC[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001053109529 765589988 /nfs/dbraw/zinc/58/99/88/765589988.db2.gz QYPCMLZPPFKTFB-OCCSQVGLSA-N 1 2 334.420 0.674 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@]2(NC(=O)C(N)=O)CCC[C@@H]12 ZINC000992140673 765628923 /nfs/dbraw/zinc/62/89/23/765628923.db2.gz AOMNSTPYCKMVLT-PBHICJAKSA-N 1 2 330.363 0.796 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@]2(NC(=O)C(N)=O)CCC[C@@H]12 ZINC000992140673 765628930 /nfs/dbraw/zinc/62/89/30/765628930.db2.gz AOMNSTPYCKMVLT-PBHICJAKSA-N 1 2 330.363 0.796 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccnc(OC)n3)C2)nc1 ZINC001016025692 765728893 /nfs/dbraw/zinc/72/88/93/765728893.db2.gz ZYFBFUBDNJTHIQ-HNNXBMFYSA-N 1 2 337.383 0.866 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccnc(OC)n3)C2)nc1 ZINC001016025692 765728895 /nfs/dbraw/zinc/72/88/95/765728895.db2.gz ZYFBFUBDNJTHIQ-HNNXBMFYSA-N 1 2 337.383 0.866 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(OC)nn3)C2)nc1 ZINC001016025432 765729120 /nfs/dbraw/zinc/72/91/20/765729120.db2.gz XBWXIPXRUHAJDI-CQSZACIVSA-N 1 2 337.383 0.866 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(OC)nn3)C2)nc1 ZINC001016025432 765729125 /nfs/dbraw/zinc/72/91/25/765729125.db2.gz XBWXIPXRUHAJDI-CQSZACIVSA-N 1 2 337.383 0.866 20 30 ECEDLO N#Cc1cncc(NC[C@H](O)CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)n1 ZINC001106103868 765747042 /nfs/dbraw/zinc/74/70/42/765747042.db2.gz FAKWLEHGOOUWRW-NWDGAFQWSA-N 1 2 341.375 0.080 20 30 ECEDLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CNC(=O)CSCC#N ZINC001053267818 765871585 /nfs/dbraw/zinc/87/15/85/765871585.db2.gz MCEXXFYWYRXPGH-NWDGAFQWSA-N 1 2 335.433 0.420 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016207808 765908053 /nfs/dbraw/zinc/90/80/53/765908053.db2.gz HDOIOEUKVZZXOC-OAHLLOKOSA-N 1 2 340.383 0.398 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016207808 765908059 /nfs/dbraw/zinc/90/80/59/765908059.db2.gz HDOIOEUKVZZXOC-OAHLLOKOSA-N 1 2 340.383 0.398 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001016271917 766013306 /nfs/dbraw/zinc/01/33/06/766013306.db2.gz IEBVMMBHHVRLTH-HNNXBMFYSA-N 1 2 337.383 0.990 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001016271917 766013312 /nfs/dbraw/zinc/01/33/12/766013312.db2.gz IEBVMMBHHVRLTH-HNNXBMFYSA-N 1 2 337.383 0.990 20 30 ECEDLO CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCS(=O)(=O)C3)CCC[C@@H]12 ZINC000992271804 766114442 /nfs/dbraw/zinc/11/44/42/766114442.db2.gz OBEYTXOCSVQJCR-BFYDXBDKSA-N 1 2 338.473 0.948 20 30 ECEDLO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCS(=O)(=O)C3)CCC[C@@H]12 ZINC000992271804 766114449 /nfs/dbraw/zinc/11/44/49/766114449.db2.gz OBEYTXOCSVQJCR-BFYDXBDKSA-N 1 2 338.473 0.948 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001045778017 766359585 /nfs/dbraw/zinc/35/95/85/766359585.db2.gz RWMSYNUHKBOIKR-MRXNPFEDSA-N 1 2 334.420 0.254 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(CC)C3=O)C[C@@H]2O)cc1 ZINC001083691595 766373864 /nfs/dbraw/zinc/37/38/64/766373864.db2.gz XEOWNHDOIBMWTL-ZACQAIPSSA-N 1 2 341.411 0.064 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(CC)C3=O)C[C@@H]2O)cc1 ZINC001083691595 766373871 /nfs/dbraw/zinc/37/38/71/766373871.db2.gz XEOWNHDOIBMWTL-ZACQAIPSSA-N 1 2 341.411 0.064 20 30 ECEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)ccc1F ZINC001031662202 766379756 /nfs/dbraw/zinc/37/97/56/766379756.db2.gz XACNLMGAEADKIJ-UKRRQHHQSA-N 1 2 332.335 0.911 20 30 ECEDLO CO[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)C#CC1CC1 ZINC001212250583 766408723 /nfs/dbraw/zinc/40/87/23/766408723.db2.gz BTAXIWANBURPHW-BZUAXINKSA-N 1 2 347.459 0.615 20 30 ECEDLO CO[C@@H]1C[N@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)C#CC1CC1 ZINC001212250583 766408727 /nfs/dbraw/zinc/40/87/27/766408727.db2.gz BTAXIWANBURPHW-BZUAXINKSA-N 1 2 347.459 0.615 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccnn1CCOC)O2 ZINC001053615960 766440721 /nfs/dbraw/zinc/44/07/21/766440721.db2.gz VDKCVYITIOFQHE-CQSZACIVSA-N 1 2 334.420 0.679 20 30 ECEDLO C#CCN1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCc3[nH+]ccn3C1)O2 ZINC001053618925 766446901 /nfs/dbraw/zinc/44/69/01/766446901.db2.gz GHTGIGWZAOQWAX-LSDHHAIUSA-N 1 2 328.416 0.428 20 30 ECEDLO C#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCc3[nH+]c(C)[nH]c3C1)O2 ZINC001053619916 766451769 /nfs/dbraw/zinc/45/17/69/766451769.db2.gz ZMWWYMXQMNHMNX-GJZGRUSLSA-N 1 2 342.443 0.806 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccn3nnnc3c1)O2 ZINC001053634064 766483921 /nfs/dbraw/zinc/48/39/21/766483921.db2.gz JEQZCTMXQPJBTH-CYBMUJFWSA-N 1 2 328.376 0.274 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(C(N)=O)[nH]1)O2 ZINC001053660764 766532685 /nfs/dbraw/zinc/53/26/85/766532685.db2.gz PGWBIHGZZCISKI-GFCCVEGCSA-N 1 2 332.404 0.653 20 30 ECEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1OC ZINC001213268643 766534364 /nfs/dbraw/zinc/53/43/64/766534364.db2.gz OSZKCZINZKEOHJ-ZIAGYGMSSA-N 1 2 325.453 0.881 20 30 ECEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1OC ZINC001213268643 766534367 /nfs/dbraw/zinc/53/43/67/766534367.db2.gz OSZKCZINZKEOHJ-ZIAGYGMSSA-N 1 2 325.453 0.881 20 30 ECEDLO C[C@H](CC(=O)NC[C@@H](O)CNc1cncc(C#N)n1)n1cc[nH+]c1 ZINC001106131484 766580011 /nfs/dbraw/zinc/58/00/11/766580011.db2.gz CCHNSUDIYLGDFL-YPMHNXCESA-N 1 2 329.364 0.085 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccc(C(=O)NC)n1)O2 ZINC001053693638 766602655 /nfs/dbraw/zinc/60/26/55/766602655.db2.gz HFLHGHJPABFMSU-CYBMUJFWSA-N 1 2 344.415 0.590 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001060420818 766606329 /nfs/dbraw/zinc/60/63/29/766606329.db2.gz VYAMNNMRPBRWAI-OAGGEKHMSA-N 1 2 346.431 0.829 20 30 ECEDLO Cc1nnc(C[N@H+]2CC[C@@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)o1 ZINC001046011557 766635688 /nfs/dbraw/zinc/63/56/88/766635688.db2.gz DWXVVVHQZOMWDT-TZMCWYRMSA-N 1 2 332.408 0.256 20 30 ECEDLO Cc1nnc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)o1 ZINC001046011557 766635691 /nfs/dbraw/zinc/63/56/91/766635691.db2.gz DWXVVVHQZOMWDT-TZMCWYRMSA-N 1 2 332.408 0.256 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCN([C@@H]2CC[N@H+](Cc3nccn3C)C2)CC1 ZINC001046013456 766642187 /nfs/dbraw/zinc/64/21/87/766642187.db2.gz YTNQQCZPQWPZHR-LSDHHAIUSA-N 1 2 330.436 0.298 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3nccn3C)C2)CC1 ZINC001046013456 766642196 /nfs/dbraw/zinc/64/21/96/766642196.db2.gz YTNQQCZPQWPZHR-LSDHHAIUSA-N 1 2 330.436 0.298 20 30 ECEDLO C[C@H](C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1)c1ccnn1C ZINC001046030783 766698085 /nfs/dbraw/zinc/69/80/85/766698085.db2.gz AZAIVQMYHDYNEO-GJZGRUSLSA-N 1 2 330.436 0.266 20 30 ECEDLO Cc1nn(C)cc1CC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046036611 766728691 /nfs/dbraw/zinc/72/86/91/766728691.db2.gz MHIPEEWGDGPSCZ-MRXNPFEDSA-N 1 2 330.436 0.013 20 30 ECEDLO Cc1cc(CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)n(C)n1 ZINC001046043628 766761974 /nfs/dbraw/zinc/76/19/74/766761974.db2.gz BRQRZKVPENENOG-OAHLLOKOSA-N 1 2 330.436 0.013 20 30 ECEDLO COc1ccc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)cn1 ZINC001046045520 766771505 /nfs/dbraw/zinc/77/15/05/766771505.db2.gz YWTWGCOYLJHCGE-OAHLLOKOSA-N 1 2 329.404 0.446 20 30 ECEDLO Cc1cncc(CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)c1 ZINC001046046742 766775082 /nfs/dbraw/zinc/77/50/82/766775082.db2.gz HWNNGIZPLXUKPU-QGZVFWFLSA-N 1 2 327.432 0.675 20 30 ECEDLO CCCn1cc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)cn1 ZINC001046069317 766868656 /nfs/dbraw/zinc/86/86/56/766868656.db2.gz DRDJBDLJAYSXLN-INIZCTEOSA-N 1 2 330.436 0.649 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cnn(C(F)F)c3)CC2)C1 ZINC001046075023 766892889 /nfs/dbraw/zinc/89/28/89/766892889.db2.gz NBENHPISUFGWER-ZDUSSCGKSA-N 1 2 338.362 0.634 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3n[nH]c4ccccc43)CC2)C1 ZINC001046082012 766920667 /nfs/dbraw/zinc/92/06/67/766920667.db2.gz QOUCOQCDCCWHOR-AWEZNQCLSA-N 1 2 338.415 0.919 20 30 ECEDLO Cc1cc(C)n([C@@H](C)C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)n1 ZINC001046084999 766925984 /nfs/dbraw/zinc/92/59/84/766925984.db2.gz JLHXDAMSXNFLQG-IRXDYDNUSA-N 1 2 344.463 0.803 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)CCc3cscn3)CC2)C1 ZINC001046085821 766928123 /nfs/dbraw/zinc/92/81/23/766928123.db2.gz RMYACMTUYIJWJI-HNNXBMFYSA-N 1 2 333.461 0.818 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3n[nH]nc3n1)CO2 ZINC001053824400 766946849 /nfs/dbraw/zinc/94/68/49/766946849.db2.gz ZHWZDJUTUUFJKL-LLVKDONJSA-N 1 2 328.376 0.502 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc3c([nH]1)CCOC3)CO2 ZINC001053827075 766953826 /nfs/dbraw/zinc/95/38/26/766953826.db2.gz QXOHCQSFMVEGRK-CQSZACIVSA-N 1 2 329.400 0.684 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC3N=NC(=O)N3C1)CO2 ZINC001053851003 767017160 /nfs/dbraw/zinc/01/71/60/767017160.db2.gz IOWGHTJQFHBHBD-CHWSQXEVSA-N 1 2 347.419 0.082 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC3N=NC(=O)N3C1)CO2 ZINC001053851005 767018036 /nfs/dbraw/zinc/01/80/36/767018036.db2.gz IOWGHTJQFHBHBD-QWHCGFSZSA-N 1 2 347.419 0.082 20 30 ECEDLO C#CCN1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3[nH+]c(C)[nH]c3C1)CO2 ZINC001053851428 767020626 /nfs/dbraw/zinc/02/06/26/767020626.db2.gz RTGVTIUXNLAZML-KGLIPLIRSA-N 1 2 328.416 0.416 20 30 ECEDLO C#CCN1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3[nH]c(C)[nH+]c3C1)CO2 ZINC001053851428 767020636 /nfs/dbraw/zinc/02/06/36/767020636.db2.gz RTGVTIUXNLAZML-KGLIPLIRSA-N 1 2 328.416 0.416 20 30 ECEDLO CC#CCN1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3[nH+]ccn3C1)CO2 ZINC001053852212 767022135 /nfs/dbraw/zinc/02/21/35/767022135.db2.gz ILMQEMXFFRHFFE-CABCVRRESA-N 1 2 328.416 0.428 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCn3ccnc3C1)CO2 ZINC001053852467 767023321 /nfs/dbraw/zinc/02/33/21/767023321.db2.gz LNVUKVXFLRBYNY-CABCVRRESA-N 1 2 330.432 0.981 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1csc(NC(C)=O)n1)CO2 ZINC001053856556 767038502 /nfs/dbraw/zinc/03/85/02/767038502.db2.gz MZNOIXFBLFLEBC-LBPRGKRZSA-N 1 2 348.428 0.698 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1c(C)cc(=O)oc1C)CO2 ZINC001053864264 767066393 /nfs/dbraw/zinc/06/63/93/767066393.db2.gz XQIAKJPQNFMLAL-AWEZNQCLSA-N 1 2 330.384 0.853 20 30 ECEDLO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(=O)c(OC)c[nH]1)CO2 ZINC001053871605 767092190 /nfs/dbraw/zinc/09/21/90/767092190.db2.gz IONGWBLJPRZJDA-GFCCVEGCSA-N 1 2 333.388 0.533 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3nncn3CC1)CO2 ZINC001053874164 767100446 /nfs/dbraw/zinc/10/04/46/767100446.db2.gz SSFRJLSETJKAOT-HUUCEWRRSA-N 1 2 345.447 0.766 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCCNC3=O)C2)cc1F ZINC001031748938 767142057 /nfs/dbraw/zinc/14/20/57/767142057.db2.gz LBVXVEQLKFBAIS-OAHLLOKOSA-N 1 2 344.390 0.772 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2c(Cl)cnn2C)[C@H](OC)C1 ZINC001212285292 767143890 /nfs/dbraw/zinc/14/38/90/767143890.db2.gz ZRYUHGSTISFWIR-CHWSQXEVSA-N 1 2 340.811 0.152 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2c(Cl)cnn2C)[C@H](OC)C1 ZINC001212285292 767143892 /nfs/dbraw/zinc/14/38/92/767143892.db2.gz ZRYUHGSTISFWIR-CHWSQXEVSA-N 1 2 340.811 0.152 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001046363928 767171262 /nfs/dbraw/zinc/17/12/62/767171262.db2.gz GWNMELVPKZOIRD-BBRMVZONSA-N 1 2 343.855 0.814 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001046363928 767171264 /nfs/dbraw/zinc/17/12/64/767171264.db2.gz GWNMELVPKZOIRD-BBRMVZONSA-N 1 2 343.855 0.814 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001046363932 767171342 /nfs/dbraw/zinc/17/13/42/767171342.db2.gz GWNMELVPKZOIRD-CZUORRHYSA-N 1 2 343.855 0.814 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001046363932 767171344 /nfs/dbraw/zinc/17/13/44/767171344.db2.gz GWNMELVPKZOIRD-CZUORRHYSA-N 1 2 343.855 0.814 20 30 ECEDLO C#CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001046375347 767179139 /nfs/dbraw/zinc/17/91/39/767179139.db2.gz ACBGTRLRQRZYDH-ZDUSSCGKSA-N 1 2 344.415 0.323 20 30 ECEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1OC ZINC001212321265 767214665 /nfs/dbraw/zinc/21/46/65/767214665.db2.gz ZGPVZZNKCNWMOT-OWCLPIDISA-N 1 2 335.448 0.849 20 30 ECEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1OC ZINC001212321265 767214666 /nfs/dbraw/zinc/21/46/66/767214666.db2.gz ZGPVZZNKCNWMOT-OWCLPIDISA-N 1 2 335.448 0.849 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@H]1OC ZINC001212337178 767252958 /nfs/dbraw/zinc/25/29/58/767252958.db2.gz ASRXYFZWRYYGOB-FRRDWIJNSA-N 1 2 343.855 0.859 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1OC ZINC001212337178 767252959 /nfs/dbraw/zinc/25/29/59/767252959.db2.gz ASRXYFZWRYYGOB-FRRDWIJNSA-N 1 2 343.855 0.859 20 30 ECEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1OC ZINC001212338066 767255849 /nfs/dbraw/zinc/25/58/49/767255849.db2.gz AESDGWSOHFQXBR-JHJVBQTASA-N 1 2 337.420 0.209 20 30 ECEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1OC ZINC001212338066 767255852 /nfs/dbraw/zinc/25/58/52/767255852.db2.gz AESDGWSOHFQXBR-JHJVBQTASA-N 1 2 337.420 0.209 20 30 ECEDLO Cn1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]32)nn1 ZINC001042020744 782614007 /nfs/dbraw/zinc/61/40/07/782614007.db2.gz XGYQSAZBEVHFQP-WBMJQRKESA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1cc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]32)nn1 ZINC001042020744 782614012 /nfs/dbraw/zinc/61/40/12/782614012.db2.gz XGYQSAZBEVHFQP-WBMJQRKESA-N 1 2 339.403 0.751 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c[nH]c(=O)cc1OC)CO2 ZINC001053929080 767389307 /nfs/dbraw/zinc/38/93/07/767389307.db2.gz QMPPEIJCIBLVNV-GFCCVEGCSA-N 1 2 331.372 0.392 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C1CC1)CO2 ZINC001053949452 767432256 /nfs/dbraw/zinc/43/22/56/767432256.db2.gz HXTYIUUQBCWSLM-CVEARBPZSA-N 1 2 347.459 0.923 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn(CCC=C)nn1)CO2 ZINC001053950389 767435476 /nfs/dbraw/zinc/43/54/76/767435476.db2.gz BBAJLCTWUOTKQU-CQSZACIVSA-N 1 2 329.404 0.451 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001053952294 767438038 /nfs/dbraw/zinc/43/80/38/767438038.db2.gz OPMLHKCGSKIPHX-JYJNAYRXSA-N 1 2 338.448 0.700 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1c(C)cc(C)nc1=O)CO2 ZINC001053964656 767474239 /nfs/dbraw/zinc/47/42/39/767474239.db2.gz LSIQECVCMVEABK-OAHLLOKOSA-N 1 2 346.431 0.396 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2COC3(C[NH+]([C@@H](C)COC)C3)C2)nc1 ZINC001053985661 767535653 /nfs/dbraw/zinc/53/56/53/767535653.db2.gz VZBHXVJOKQGDHG-ZFWWWQNUSA-N 1 2 329.400 0.671 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001053993620 767549387 /nfs/dbraw/zinc/54/93/87/767549387.db2.gz QCGRPJLZQGXALQ-WMLDXEAASA-N 1 2 328.412 0.551 20 30 ECEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1COCCO1 ZINC001054032537 767632466 /nfs/dbraw/zinc/63/24/66/767632466.db2.gz BWCGTMSRLXNSAT-MSOLQXFVSA-N 1 2 328.412 0.968 20 30 ECEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1COCCO1 ZINC001054032537 767632469 /nfs/dbraw/zinc/63/24/69/767632469.db2.gz BWCGTMSRLXNSAT-MSOLQXFVSA-N 1 2 328.412 0.968 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001054052407 767652312 /nfs/dbraw/zinc/65/23/12/767652312.db2.gz WMKZAGDERXCRRL-IXDOHACOSA-N 1 2 341.411 0.196 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001054052407 767652317 /nfs/dbraw/zinc/65/23/17/767652317.db2.gz WMKZAGDERXCRRL-IXDOHACOSA-N 1 2 341.411 0.196 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001031078737 767822252 /nfs/dbraw/zinc/82/22/52/767822252.db2.gz UZEFIXAVUXVOIP-ULQDDVLXSA-N 1 2 348.447 0.416 20 30 ECEDLO CN(CCOCCNc1ccc(C#N)nc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001127356911 768463130 /nfs/dbraw/zinc/46/31/30/768463130.db2.gz HELAXYLGMYHALX-UHFFFAOYSA-N 1 2 328.376 0.806 20 30 ECEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2C[C@H]2C(N)=O)c1 ZINC001017952128 768540762 /nfs/dbraw/zinc/54/07/62/768540762.db2.gz UWEFLRPAYWDZLK-TWMKSMIVSA-N 1 2 338.411 0.855 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2C[C@H]2C(N)=O)c1 ZINC001017952128 768540763 /nfs/dbraw/zinc/54/07/63/768540763.db2.gz UWEFLRPAYWDZLK-TWMKSMIVSA-N 1 2 338.411 0.855 20 30 ECEDLO N#Cc1nccnc1N[C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001060557844 768808659 /nfs/dbraw/zinc/80/86/59/768808659.db2.gz RFPMBQDHCUZDRP-FPMFFAJLSA-N 1 2 337.387 0.963 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001018169811 768844859 /nfs/dbraw/zinc/84/48/59/768844859.db2.gz NPQXLEOHWVAZFN-PHIMTYICSA-N 1 2 332.360 0.209 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c(=O)[nH]c(=O)c1OC ZINC001018169811 768844872 /nfs/dbraw/zinc/84/48/72/768844872.db2.gz NPQXLEOHWVAZFN-PHIMTYICSA-N 1 2 332.360 0.209 20 30 ECEDLO N#Cc1cncc(N2C[C@@H]3CCC[C@]3(NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001055541574 769065201 /nfs/dbraw/zinc/06/52/01/769065201.db2.gz JMCKJWNEZSJZQX-GUYCJALGSA-N 1 2 337.387 0.720 20 30 ECEDLO CC#CCCCC(=O)N(CCO)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001111536122 769084147 /nfs/dbraw/zinc/08/41/47/769084147.db2.gz BEUDNQQROCBETH-UHFFFAOYSA-N 1 2 348.451 0.672 20 30 ECEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccn[nH]3)C2)CC1 ZINC001018360242 769192181 /nfs/dbraw/zinc/19/21/81/769192181.db2.gz VMHGRPFBLKSYFM-OAHLLOKOSA-N 1 2 345.447 0.982 20 30 ECEDLO C=C(C)CCC(=O)NC1CC[NH+](CCNC(=O)c2ncn[nH]2)CC1 ZINC001055614210 769257418 /nfs/dbraw/zinc/25/74/18/769257418.db2.gz RBKBAYNGPNSIDK-UHFFFAOYSA-N 1 2 334.424 0.471 20 30 ECEDLO C=C[C@H](CC)CC(=O)NCC[NH+]1CCC(NC(=O)c2nc[nH]n2)CC1 ZINC001055620295 769271728 /nfs/dbraw/zinc/27/17/28/769271728.db2.gz PCGJDTXTHUNOBF-CYBMUJFWSA-N 1 2 348.451 0.717 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@H]1C ZINC000993574641 769276196 /nfs/dbraw/zinc/27/61/96/769276196.db2.gz VKNHMCANBJFRDB-NEPJUHHUSA-N 1 2 340.811 0.671 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@H]1C ZINC000993574641 769276202 /nfs/dbraw/zinc/27/62/02/769276202.db2.gz VKNHMCANBJFRDB-NEPJUHHUSA-N 1 2 340.811 0.671 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C2CCC2)C1 ZINC000993629240 769442527 /nfs/dbraw/zinc/44/25/27/769442527.db2.gz BFGAADCBHRWBOG-MRVWCRGKSA-N 1 2 329.404 0.790 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cncn3C)[C@@H]2C)nn1 ZINC000993941150 769915296 /nfs/dbraw/zinc/91/52/96/769915296.db2.gz ABRFBEGZJBTQDF-HIFRSBDPSA-N 1 2 343.435 0.981 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cncn3C)[C@@H]2C)nn1 ZINC000993941150 769915300 /nfs/dbraw/zinc/91/53/00/769915300.db2.gz ABRFBEGZJBTQDF-HIFRSBDPSA-N 1 2 343.435 0.981 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](CC(=O)NC3CC3)[C@@H]2C)nn1 ZINC000993948301 769928747 /nfs/dbraw/zinc/92/87/47/769928747.db2.gz IDGWYWSXFFARJR-OCCSQVGLSA-N 1 2 346.435 0.325 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NC3CC3)[C@@H]2C)nn1 ZINC000993948301 769928755 /nfs/dbraw/zinc/92/87/55/769928755.db2.gz IDGWYWSXFFARJR-OCCSQVGLSA-N 1 2 346.435 0.325 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@@H]1C ZINC000994008807 770002210 /nfs/dbraw/zinc/00/22/10/770002210.db2.gz NGBHLTBZPMHGAL-QWRGUYRKSA-N 1 2 328.800 0.260 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@@H]1C ZINC000994008807 770002222 /nfs/dbraw/zinc/00/22/22/770002222.db2.gz NGBHLTBZPMHGAL-QWRGUYRKSA-N 1 2 328.800 0.260 20 30 ECEDLO CC(C)(C(=O)N1CCN(c2ccc(C#N)nn2)CC1)c1c[nH+]c[nH]1 ZINC001055861311 770010608 /nfs/dbraw/zinc/01/06/08/770010608.db2.gz VUTCGPNFGRYJNA-UHFFFAOYSA-N 1 2 325.376 0.698 20 30 ECEDLO C=CCn1cccc1C(=O)NC1CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000994196819 770287468 /nfs/dbraw/zinc/28/74/68/770287468.db2.gz HAZOBVRFMZODEO-UHFFFAOYSA-N 1 2 341.415 0.981 20 30 ECEDLO N#Cc1nccnc1N1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001055939966 770297665 /nfs/dbraw/zinc/29/76/65/770297665.db2.gz ABASEWUCWZFEEL-CYBMUJFWSA-N 1 2 337.387 0.456 20 30 ECEDLO C=CC(C)(C)CC(=O)N[C@@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001055961219 770377898 /nfs/dbraw/zinc/37/78/98/770377898.db2.gz KPEAKLJGJBMZRQ-SFHVURJKSA-N 1 2 348.447 0.955 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001055997971 770500762 /nfs/dbraw/zinc/50/07/62/770500762.db2.gz KTFBJOYFBRZWKD-QAPCUYQASA-N 1 2 348.447 0.955 20 30 ECEDLO CCc1noc(C[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCCO2)n1 ZINC001078397989 782868275 /nfs/dbraw/zinc/86/82/75/782868275.db2.gz JGTKETYGXPDZDP-AWEZNQCLSA-N 1 2 332.404 0.753 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC3(C2)CCN(C(=O)Cc2[nH]cc[nH+]2)C3)nc1 ZINC001019235297 771039353 /nfs/dbraw/zinc/03/93/53/771039353.db2.gz MSVQEIXSWKZXPK-UHFFFAOYSA-N 1 2 349.394 0.703 20 30 ECEDLO Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2c[nH+]cn2C)ccc1C#N ZINC001056252416 771043751 /nfs/dbraw/zinc/04/37/51/771043751.db2.gz DHJBGLZDQKYGND-HWWDLCQESA-N 1 2 336.399 0.789 20 30 ECEDLO N#Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCc3[nH+]ccn3C2)nn1 ZINC001056330101 771135791 /nfs/dbraw/zinc/13/57/91/771135791.db2.gz IYWNEUGYOHANEG-CVGURMSBSA-N 1 2 349.398 0.358 20 30 ECEDLO N#Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCc3[nH+]ccn3C2)nn1 ZINC001056330102 771135897 /nfs/dbraw/zinc/13/58/97/771135897.db2.gz IYWNEUGYOHANEG-HVOFVXBASA-N 1 2 349.398 0.358 20 30 ECEDLO N#Cc1cncc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCn3cc[nH+]c3C2)n1 ZINC001056333576 771139915 /nfs/dbraw/zinc/13/99/15/771139915.db2.gz NCYXUSWNQSDHIY-HVOFVXBASA-N 1 2 349.398 0.358 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056380716 771203685 /nfs/dbraw/zinc/20/36/85/771203685.db2.gz RTFQTESBXXJGLZ-DAYGRLMNSA-N 1 2 346.431 0.871 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056402634 771228944 /nfs/dbraw/zinc/22/89/44/771228944.db2.gz QUQXASBGXBVVRS-RBSFLKMASA-N 1 2 344.415 0.582 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001056456054 771287220 /nfs/dbraw/zinc/28/72/20/771287220.db2.gz LPODBJLKMJNACH-MPGHIAIKSA-N 1 2 346.431 0.802 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001056456211 771287276 /nfs/dbraw/zinc/28/72/76/771287276.db2.gz NNNKHINZDYGJRM-OWCLPIDISA-N 1 2 344.415 0.513 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056526178 771354205 /nfs/dbraw/zinc/35/42/05/771354205.db2.gz BGKUNMPUAOHVQF-IYOUNJFTSA-N 1 2 346.431 0.871 20 30 ECEDLO CO[C@@H]1C[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)C#CC(C)C ZINC001212240949 771355675 /nfs/dbraw/zinc/35/56/75/771355675.db2.gz GLVUFRWZKORYPU-OWCLPIDISA-N 1 2 349.475 0.861 20 30 ECEDLO CO[C@@H]1C[N@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)C#CC(C)C ZINC001212240949 771355681 /nfs/dbraw/zinc/35/56/81/771355681.db2.gz GLVUFRWZKORYPU-OWCLPIDISA-N 1 2 349.475 0.861 20 30 ECEDLO N#Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)c[nH]1 ZINC000994609806 771363759 /nfs/dbraw/zinc/36/37/59/771363759.db2.gz ILYBDZQKSQPWHA-LLVKDONJSA-N 1 2 338.371 0.286 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]21 ZINC001056630502 771448985 /nfs/dbraw/zinc/44/89/85/771448985.db2.gz GWDLBSGFHXTATC-GOEBONIOSA-N 1 2 346.431 0.615 20 30 ECEDLO COc1cncc(C[NH+]2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001031619439 771468486 /nfs/dbraw/zinc/46/84/86/771468486.db2.gz XJLQFKOVWGSEGY-UHFFFAOYSA-N 1 2 326.360 0.547 20 30 ECEDLO N#Cc1ccc(C(=O)NCC2C[NH+](CC(=O)NC3CCCC3)C2)[nH]1 ZINC001031620638 771477113 /nfs/dbraw/zinc/47/71/13/771477113.db2.gz NYDKHTQILTZDAQ-UHFFFAOYSA-N 1 2 329.404 0.607 20 30 ECEDLO CN1CCOC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031622256 771486531 /nfs/dbraw/zinc/48/65/31/771486531.db2.gz XQTQUUITOOAVLI-KRWDZBQOSA-N 1 2 346.406 0.576 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001056681492 771508987 /nfs/dbraw/zinc/50/89/87/771508987.db2.gz KZLHHDQBEJVAJJ-HRCADAONSA-N 1 2 346.431 0.924 20 30 ECEDLO Cn1nncc1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031644385 771578455 /nfs/dbraw/zinc/57/84/55/771578455.db2.gz VQWHRUNRQBUJFH-UHFFFAOYSA-N 1 2 328.351 0.688 20 30 ECEDLO Cn1nncc1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031643387 771580405 /nfs/dbraw/zinc/58/04/05/771580405.db2.gz PSXZAASOJGXKFS-UHFFFAOYSA-N 1 2 328.351 0.688 20 30 ECEDLO CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001056942403 771840760 /nfs/dbraw/zinc/84/07/60/771840760.db2.gz XDFAWHJKQNACFN-LBPRGKRZSA-N 1 2 325.376 0.362 20 30 ECEDLO CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001056997580 771924545 /nfs/dbraw/zinc/92/45/45/771924545.db2.gz FDJYKAFODQQYQZ-CQSZACIVSA-N 1 2 325.376 0.672 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](N(C)c2ccc(C#N)nn2)C1 ZINC001057046512 771990810 /nfs/dbraw/zinc/99/08/10/771990810.db2.gz CPZOTTCPFMLYFV-IUODEOHRSA-N 1 2 339.403 0.987 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](N(C)c2ccc(C#N)nn2)C1 ZINC001057046512 771990814 /nfs/dbraw/zinc/99/08/14/771990814.db2.gz CPZOTTCPFMLYFV-IUODEOHRSA-N 1 2 339.403 0.987 20 30 ECEDLO CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001057058951 772011276 /nfs/dbraw/zinc/01/12/76/772011276.db2.gz FKVHXJZFKLKTOQ-AWEZNQCLSA-N 1 2 325.376 0.741 20 30 ECEDLO CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001057058951 772011280 /nfs/dbraw/zinc/01/12/80/772011280.db2.gz FKVHXJZFKLKTOQ-AWEZNQCLSA-N 1 2 325.376 0.741 20 30 ECEDLO CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001057058798 772011466 /nfs/dbraw/zinc/01/14/66/772011466.db2.gz ANGKVLSYGXLUMA-CQSZACIVSA-N 1 2 325.376 0.741 20 30 ECEDLO CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001057058798 772011470 /nfs/dbraw/zinc/01/14/70/772011470.db2.gz ANGKVLSYGXLUMA-CQSZACIVSA-N 1 2 325.376 0.741 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCN(c2ccnc(C#N)n2)CC1 ZINC001057245866 772337097 /nfs/dbraw/zinc/33/70/97/772337097.db2.gz YRMZJWKFIMWTQB-ZDUSSCGKSA-N 1 2 339.403 0.989 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCN(c2ccnc(C#N)n2)CC1 ZINC001057245866 772337102 /nfs/dbraw/zinc/33/71/02/772337102.db2.gz YRMZJWKFIMWTQB-ZDUSSCGKSA-N 1 2 339.403 0.989 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC(Nc2ccc(C#N)nn2)CC1 ZINC001057347969 772497510 /nfs/dbraw/zinc/49/75/10/772497510.db2.gz DGNONIAVUIAYPL-UHFFFAOYSA-N 1 2 325.376 0.727 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC(Nc2cnc(C#N)cn2)CC1 ZINC001057348662 772498915 /nfs/dbraw/zinc/49/89/15/772498915.db2.gz SJVIABJZWVWVGN-UHFFFAOYSA-N 1 2 325.376 0.727 20 30 ECEDLO C#CCCCCC(=O)N(CCO)CCNC(=O)CCc1[nH+]ccn1C ZINC001057388408 772556058 /nfs/dbraw/zinc/55/60/58/772556058.db2.gz PUIUQNKOWMVNSE-UHFFFAOYSA-N 1 2 348.447 0.483 20 30 ECEDLO N#Cc1nccc(NC2CCN(C(=O)CCn3cc[nH+]c3)CC2)n1 ZINC001057397438 772566274 /nfs/dbraw/zinc/56/62/74/772566274.db2.gz AQMYXFREGQLBCE-UHFFFAOYSA-N 1 2 325.376 0.460 20 30 ECEDLO C#CCCCC(=O)N(CCO)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001057446585 772623397 /nfs/dbraw/zinc/62/33/97/772623397.db2.gz FPBWKYFXZDVCSK-HNNXBMFYSA-N 1 2 334.420 0.575 20 30 ECEDLO O=C(C#CC1CC1)N(CCO)CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001057535293 772730296 /nfs/dbraw/zinc/73/02/96/772730296.db2.gz OLYFYDRGFDODAW-CQSZACIVSA-N 1 2 344.415 0.180 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N(CCO)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001057692515 772916950 /nfs/dbraw/zinc/91/69/50/772916950.db2.gz IZMJHOJZDNTJSF-UHFFFAOYSA-N 1 2 342.827 0.668 20 30 ECEDLO C=CCCCC(=O)NCCN(CCO)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001057710842 772933964 /nfs/dbraw/zinc/93/39/64/772933964.db2.gz AVTJODUBONCHKT-AWEZNQCLSA-N 1 2 336.436 0.882 20 30 ECEDLO C=CCCCC(=O)NCCN(CCO)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001057710842 772933967 /nfs/dbraw/zinc/93/39/67/772933967.db2.gz AVTJODUBONCHKT-AWEZNQCLSA-N 1 2 336.436 0.882 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(CCO)CCNC(=O)C#CC(C)(C)C ZINC001057711079 772934557 /nfs/dbraw/zinc/93/45/57/772934557.db2.gz IFYFGLMTCNEBNI-AWEZNQCLSA-N 1 2 348.447 0.575 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(CCO)CCNC(=O)C#CC(C)(C)C ZINC001057711079 772934559 /nfs/dbraw/zinc/93/45/59/772934559.db2.gz IFYFGLMTCNEBNI-AWEZNQCLSA-N 1 2 348.447 0.575 20 30 ECEDLO CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001057712099 772937550 /nfs/dbraw/zinc/93/75/50/772937550.db2.gz ZNBVJUDSYRTKTK-CQSZACIVSA-N 1 2 334.420 0.185 20 30 ECEDLO CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001057712099 772937552 /nfs/dbraw/zinc/93/75/52/772937552.db2.gz ZNBVJUDSYRTKTK-CQSZACIVSA-N 1 2 334.420 0.185 20 30 ECEDLO C#CCC1(C(=O)NCC[C@H](C)NC(=O)Cn2cc[nH+]c2)CCOCC1 ZINC001076833898 783068396 /nfs/dbraw/zinc/06/83/96/783068396.db2.gz XCPLOTJSOANWIF-HNNXBMFYSA-N 1 2 346.431 0.714 20 30 ECEDLO C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001057941522 773233319 /nfs/dbraw/zinc/23/33/19/773233319.db2.gz WYWWKYWVLRPGGJ-OAHLLOKOSA-N 1 2 348.447 0.739 20 30 ECEDLO C=CCn1cc(C(=O)NC2CCN(c3cc[nH+]c(C)n3)CC2)nn1 ZINC001057961598 773292847 /nfs/dbraw/zinc/29/28/47/773292847.db2.gz GLENBAFPRPBSJT-UHFFFAOYSA-N 1 2 327.392 0.961 20 30 ECEDLO C[C@@H](Nc1ccnc(C#N)n1)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001058025352 773382486 /nfs/dbraw/zinc/38/24/86/773382486.db2.gz AJNJTLIDRZVLSY-OCCSQVGLSA-N 1 2 339.403 0.917 20 30 ECEDLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CCN(c2ccnc(C#N)n2)CC1 ZINC001058089867 773515071 /nfs/dbraw/zinc/51/50/71/773515071.db2.gz YZOBXZCTMAILIH-UHFFFAOYSA-N 1 2 325.376 0.741 20 30 ECEDLO CC(C)(C)C#CC(=O)NCCN(CCO)C(=O)CCn1cc[nH+]c1 ZINC001058200435 773757384 /nfs/dbraw/zinc/75/73/84/773757384.db2.gz GDHBMUZLVLARRL-UHFFFAOYSA-N 1 2 334.420 0.260 20 30 ECEDLO Cc1nsc(N2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)c1C#N ZINC001058402991 774115095 /nfs/dbraw/zinc/11/50/95/774115095.db2.gz CXIDUZWMGFGZBM-NSHDSACASA-N 1 2 330.417 0.994 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 ZINC001058586452 774482908 /nfs/dbraw/zinc/48/29/08/774482908.db2.gz PUAVKGQNAFEFOM-AWEZNQCLSA-N 1 2 338.371 0.689 20 30 ECEDLO N#Cc1ccc(N2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H](O)C2)cn1 ZINC001044767678 774590235 /nfs/dbraw/zinc/59/02/35/774590235.db2.gz GMORCZFWMMKDFW-SJORKVTESA-N 1 2 348.366 0.809 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]1C[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001044962567 774772612 /nfs/dbraw/zinc/77/26/12/774772612.db2.gz NIBRDHXZZZIKBF-AAEUAGOBSA-N 1 2 328.376 0.263 20 30 ECEDLO CN(C)c1noc(C[NH2+]C[C@@H]2CCCN2C(=O)c2cc(C#N)c[nH]2)n1 ZINC001044983254 774798504 /nfs/dbraw/zinc/79/85/04/774798504.db2.gz HZWVXPDHDXBONW-LBPRGKRZSA-N 1 2 343.391 0.730 20 30 ECEDLO CC(C)(C)n1nnc(C[NH2+]C[C@@H]2CCCN2C(=O)C#CC2CC2)n1 ZINC001045034445 774873295 /nfs/dbraw/zinc/87/32/95/774873295.db2.gz SBQGBBWTJCOVHR-AWEZNQCLSA-N 1 2 330.436 0.922 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001045059707 774912583 /nfs/dbraw/zinc/91/25/83/774912583.db2.gz VXBKGPBRMUFQRH-KBPBESRZSA-N 1 2 348.447 0.880 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001045059707 774912586 /nfs/dbraw/zinc/91/25/86/774912586.db2.gz VXBKGPBRMUFQRH-KBPBESRZSA-N 1 2 348.447 0.880 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001045069330 774929740 /nfs/dbraw/zinc/92/97/40/774929740.db2.gz STCOIAYUMYUDMI-ZDUSSCGKSA-N 1 2 348.447 0.979 20 30 ECEDLO C=C(C)CCC(=O)N1CC(O)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001043858482 775117455 /nfs/dbraw/zinc/11/74/55/775117455.db2.gz JDDHHSLSJKRFBP-UHFFFAOYSA-N 1 2 342.399 0.994 20 30 ECEDLO Cn1[nH]c(C[NH+]2CCC(C)(NC(=O)c3cc(C#N)c[nH]3)CC2)nc1=O ZINC001045400495 775541542 /nfs/dbraw/zinc/54/15/42/775541542.db2.gz BMMCCODBIYXTHX-UHFFFAOYSA-N 1 2 343.391 0.093 20 30 ECEDLO N#Cc1cnc(N2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](O)C2)c(Cl)c1 ZINC001044118493 775728475 /nfs/dbraw/zinc/72/84/75/775728475.db2.gz XAHLMBAWIKUXJM-NEPJUHHUSA-N 1 2 346.778 0.238 20 30 ECEDLO C[C@H](C#N)C(=O)NCC1(O)CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001045564862 775808847 /nfs/dbraw/zinc/80/88/47/775808847.db2.gz OAVRBQVZJPJIJE-SNVBAGLBSA-N 1 2 327.344 0.026 20 30 ECEDLO C=CCn1cc(C(=O)NC2(C)CC[NH+](Cc3cn(C)nn3)CC2)nn1 ZINC001045580842 775829236 /nfs/dbraw/zinc/82/92/36/775829236.db2.gz TXWUDPNXQWODBD-UHFFFAOYSA-N 1 2 344.423 0.377 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](C[C@@H](O)Cn3cccn3)C2)cn1 ZINC001044204137 775914780 /nfs/dbraw/zinc/91/47/80/775914780.db2.gz SMKDFLDSOKQXMC-QGZVFWFLSA-N 1 2 339.399 0.077 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3ccccn3c2)[C@@H](n2ccnn2)C1 ZINC001070043725 790432646 /nfs/dbraw/zinc/43/26/46/790432646.db2.gz FMRYHTNCKPFREL-SJORKVTESA-N 1 2 334.383 0.819 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3ccccn3c2)[C@@H](n2ccnn2)C1 ZINC001070043725 790432653 /nfs/dbraw/zinc/43/26/53/790432653.db2.gz FMRYHTNCKPFREL-SJORKVTESA-N 1 2 334.383 0.819 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccnc(C3CC3)n2)[C@@H](n2ccnn2)C1 ZINC001070044075 790434481 /nfs/dbraw/zinc/43/44/81/790434481.db2.gz ZRILBKDWSPZZDV-CABCVRRESA-N 1 2 339.403 0.787 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ccnc(C3CC3)n2)[C@@H](n2ccnn2)C1 ZINC001070044075 790434486 /nfs/dbraw/zinc/43/44/86/790434486.db2.gz ZRILBKDWSPZZDV-CABCVRRESA-N 1 2 339.403 0.787 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001079684401 776679856 /nfs/dbraw/zinc/67/98/56/776679856.db2.gz HEAOAKWFEVHNSI-QGZVFWFLSA-N 1 2 334.420 0.729 20 30 ECEDLO C#CCOCCC(=O)N(CC)C1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001079772607 776840159 /nfs/dbraw/zinc/84/01/59/776840159.db2.gz ZSRNBDQMUHGLRE-UHFFFAOYSA-N 1 2 332.404 0.062 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC001079803093 776900325 /nfs/dbraw/zinc/90/03/25/776900325.db2.gz GTPKUQUUKBHNJT-YUSALJHKSA-N 1 2 327.812 0.713 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC001079803093 776900331 /nfs/dbraw/zinc/90/03/31/776900331.db2.gz GTPKUQUUKBHNJT-YUSALJHKSA-N 1 2 327.812 0.713 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnn(CC3CC3)c2)[C@@H](n2ccnn2)C1 ZINC001070071592 790507245 /nfs/dbraw/zinc/50/72/45/790507245.db2.gz BWFFARZKSMSJOB-CVEARBPZSA-N 1 2 339.403 0.173 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC3CC3)c2)[C@@H](n2ccnn2)C1 ZINC001070071592 790507254 /nfs/dbraw/zinc/50/72/54/790507254.db2.gz BWFFARZKSMSJOB-CVEARBPZSA-N 1 2 339.403 0.173 20 30 ECEDLO C=CCCO[C@H](C)C(=O)N1CC(N(CC)C(=O)Cn2cc[nH+]c2)C1 ZINC001080031909 777269796 /nfs/dbraw/zinc/26/97/96/777269796.db2.gz KMXKURLNHHXJIS-CQSZACIVSA-N 1 2 334.420 0.924 20 30 ECEDLO CCN(C(=O)Cn1cc[nH+]c1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001080032391 777271478 /nfs/dbraw/zinc/27/14/78/777271478.db2.gz ZXDUZQAXFDMGRP-UHFFFAOYSA-N 1 2 326.360 0.456 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001080075611 777342245 /nfs/dbraw/zinc/34/22/45/777342245.db2.gz GNMBJUKXVKXHQD-RAIGVLPGSA-N 1 2 328.844 0.966 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001080075611 777342252 /nfs/dbraw/zinc/34/22/52/777342252.db2.gz GNMBJUKXVKXHQD-RAIGVLPGSA-N 1 2 328.844 0.966 20 30 ECEDLO CCN(C(=O)Cc1[nH]cc[nH+]1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001080348980 777728606 /nfs/dbraw/zinc/72/86/06/777728606.db2.gz YGQOHLVQGBNJRK-UHFFFAOYSA-N 1 2 326.360 0.525 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2ccccc2C#C)[C@@H](n2ccnn2)C1 ZINC001070088945 790565769 /nfs/dbraw/zinc/56/57/69/790565769.db2.gz NHFPZMAIJDCGFO-MSOLQXFVSA-N 1 2 333.395 0.477 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2ccccc2C#C)[C@@H](n2ccnn2)C1 ZINC001070088945 790565781 /nfs/dbraw/zinc/56/57/81/790565781.db2.gz NHFPZMAIJDCGFO-MSOLQXFVSA-N 1 2 333.395 0.477 20 30 ECEDLO CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001080419685 777827069 /nfs/dbraw/zinc/82/70/69/777827069.db2.gz FEDUKHVEKZCLTO-GFCCVEGCSA-N 1 2 330.388 0.852 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2ccc3c(c2)CCC3)[C@@H](n2ccnn2)C1 ZINC001070093884 790581003 /nfs/dbraw/zinc/58/10/03/790581003.db2.gz MOAQGIWGFIHXRS-MOPGFXCFSA-N 1 2 349.438 0.984 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2ccc3c(c2)CCC3)[C@@H](n2ccnn2)C1 ZINC001070093884 790581011 /nfs/dbraw/zinc/58/10/11/790581011.db2.gz MOAQGIWGFIHXRS-MOPGFXCFSA-N 1 2 349.438 0.984 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001043228563 778012944 /nfs/dbraw/zinc/01/29/44/778012944.db2.gz OMEHUQYWDVKTIT-KBPBESRZSA-N 1 2 348.447 0.880 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001043228563 778012952 /nfs/dbraw/zinc/01/29/52/778012952.db2.gz OMEHUQYWDVKTIT-KBPBESRZSA-N 1 2 348.447 0.880 20 30 ECEDLO C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001043624427 778615539 /nfs/dbraw/zinc/61/55/39/778615539.db2.gz RIDLQLDFHWIBOS-CQSZACIVSA-N 1 2 346.431 0.491 20 30 ECEDLO C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001043626961 778620063 /nfs/dbraw/zinc/62/00/63/778620063.db2.gz YSYOMYYSAJTMMY-AWEZNQCLSA-N 1 2 346.431 0.491 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C[C@@H](C)CC)C1 ZINC001043646398 778659370 /nfs/dbraw/zinc/65/93/70/778659370.db2.gz CVTRVIBUPDDCLR-GJZGRUSLSA-N 1 2 335.448 0.210 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C[C@@H](C)CC)C1 ZINC001043646398 778659372 /nfs/dbraw/zinc/65/93/72/778659372.db2.gz CVTRVIBUPDDCLR-GJZGRUSLSA-N 1 2 335.448 0.210 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C[C@@H](C)C2CC2)C1 ZINC001043650250 778667423 /nfs/dbraw/zinc/66/74/23/778667423.db2.gz UDBPFLUVRLAIMH-ZBFHGGJFSA-N 1 2 347.459 0.210 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C[C@@H](C)C2CC2)C1 ZINC001043650250 778667429 /nfs/dbraw/zinc/66/74/29/778667429.db2.gz UDBPFLUVRLAIMH-ZBFHGGJFSA-N 1 2 347.459 0.210 20 30 ECEDLO C=CCCC(=O)N1CC(O)(CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001043670517 778693771 /nfs/dbraw/zinc/69/37/71/778693771.db2.gz MXKZFIXBMXTJJD-UHFFFAOYSA-N 1 2 333.388 0.288 20 30 ECEDLO CCc1nc(N2C[C@H]3OCCN(C(=O)[C@H](C)C#N)[C@H]3C2)cc(C)[nH+]1 ZINC001043680661 778713097 /nfs/dbraw/zinc/71/30/97/778713097.db2.gz KELXIADVLXLFFK-KWCYVHTRSA-N 1 2 329.404 0.923 20 30 ECEDLO C#CCCCC(=O)N1CC2(C1)CC[C@@H](CNC(=O)Cn1cc[nH+]c1)O2 ZINC001068591376 790654663 /nfs/dbraw/zinc/65/46/63/790654663.db2.gz SUQPJMXZAPAMIM-HNNXBMFYSA-N 1 2 344.415 0.563 20 30 ECEDLO CC(C)C#CC(=O)N1CC2(C1)CC[C@H](CNC(=O)Cn1cc[nH+]c1)O2 ZINC001068591917 790656113 /nfs/dbraw/zinc/65/61/13/790656113.db2.gz YSFDZZQCDGLINB-OAHLLOKOSA-N 1 2 344.415 0.419 20 30 ECEDLO C=CCC1(C(=O)NCC2(O)CN(C(=O)Cn3cc[nH+]c3)C2)CCCC1 ZINC001043822004 778913350 /nfs/dbraw/zinc/91/33/50/778913350.db2.gz BPWSTNKWZIEJKG-UHFFFAOYSA-N 1 2 346.431 0.709 20 30 ECEDLO C[C@H](C#N)C(=O)NCC1(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001070129457 790707688 /nfs/dbraw/zinc/70/76/88/790707688.db2.gz MJXZGQKFOHTXRV-QWHCGFSZSA-N 1 2 347.419 0.530 20 30 ECEDLO C[C@H](C#N)C(=O)NCC1(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCOCC1 ZINC001070129457 790707698 /nfs/dbraw/zinc/70/76/98/790707698.db2.gz MJXZGQKFOHTXRV-QWHCGFSZSA-N 1 2 347.419 0.530 20 30 ECEDLO C[C@H](C#N)C(=O)NCC1(NC(=O)CCc2c[nH]c[nH+]2)CCOCC1 ZINC001070147463 790752014 /nfs/dbraw/zinc/75/20/14/790752014.db2.gz IPLQTGIMKLXRGJ-GFCCVEGCSA-N 1 2 333.392 0.284 20 30 ECEDLO C[C@H](C#N)C(=O)NCC1(NC(=O)CCc2c[nH+]c[nH]2)CCOCC1 ZINC001070147463 790752022 /nfs/dbraw/zinc/75/20/22/790752022.db2.gz IPLQTGIMKLXRGJ-GFCCVEGCSA-N 1 2 333.392 0.284 20 30 ECEDLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C23CCC3)n1 ZINC001078588890 780178779 /nfs/dbraw/zinc/17/87/79/780178779.db2.gz IMLZHCBYQDEDIR-STQMWFEESA-N 1 2 340.391 0.241 20 30 ECEDLO C=CCOCC(=O)N1CC2(C1)CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)O2 ZINC001068641305 790777942 /nfs/dbraw/zinc/77/79/42/790777942.db2.gz XSLOFUURXCXEMX-CQSZACIVSA-N 1 2 348.403 0.031 20 30 ECEDLO CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1n1ccnn1 ZINC001070159979 790788219 /nfs/dbraw/zinc/78/82/19/790788219.db2.gz YKAGULCOYCEUQC-MJBXVCDLSA-N 1 2 342.407 0.196 20 30 ECEDLO Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001042542552 780413956 /nfs/dbraw/zinc/41/39/56/780413956.db2.gz JPPANKYGSHZKLW-QMTHXVAHSA-N 1 2 325.376 0.563 20 30 ECEDLO C#CCOCCC(=O)N(C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001078959194 780653617 /nfs/dbraw/zinc/65/36/17/780653617.db2.gz HECXVFUYQCMRJM-INIZCTEOSA-N 1 2 346.431 0.763 20 30 ECEDLO CC(C)C#CC(=O)NCC1(O)CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001042940348 781071944 /nfs/dbraw/zinc/07/19/44/781071944.db2.gz NCLFXHYVTLLLCM-ZDUSSCGKSA-N 1 2 344.415 0.179 20 30 ECEDLO N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c(Cl)c1 ZINC001041369738 781371180 /nfs/dbraw/zinc/37/11/80/781371180.db2.gz MVVSWASNGVZVIL-CHWSQXEVSA-N 1 2 346.778 0.238 20 30 ECEDLO N#Cc1cnccc1NC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC001041533303 781715930 /nfs/dbraw/zinc/71/59/30/781715930.db2.gz BGZNTSGHJOQYRR-HNNXBMFYSA-N 1 2 340.387 0.370 20 30 ECEDLO N#Cc1nccc(N[C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C23CCC3)n1 ZINC001041595968 781820247 /nfs/dbraw/zinc/82/02/47/781820247.db2.gz HZMVQJXQXXFAFR-QWHCGFSZSA-N 1 2 337.387 0.506 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040696376 783287420 /nfs/dbraw/zinc/28/74/20/783287420.db2.gz LOELHCVLMJIUQH-KRWDZBQOSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040696833 783287997 /nfs/dbraw/zinc/28/79/97/783287997.db2.gz NQSARRZEGGIMSJ-CXAGYDPISA-N 1 2 334.420 0.634 20 30 ECEDLO C=CCC(CC=C)C(=O)N1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040697273 783289741 /nfs/dbraw/zinc/28/97/41/783289741.db2.gz RHFBYVZCATVIDM-GOSISDBHSA-N 1 2 346.431 0.800 20 30 ECEDLO C[C@@H](c1nnnn1C)[NH+]1CCC2(CCN(C(=O)C#CC3CC3)C2)CC1 ZINC001040697675 783290716 /nfs/dbraw/zinc/29/07/16/783290716.db2.gz XMOIRTRFXLFEOV-AWEZNQCLSA-N 1 2 342.447 0.999 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N2CC[C@](O)(CNC(=O)[C@H](C)C#N)C2)c[nH+]1 ZINC001040768539 783398108 /nfs/dbraw/zinc/39/81/08/783398108.db2.gz CTAYZZFOUKFCPS-PXAZEXFGSA-N 1 2 347.419 0.166 20 30 ECEDLO C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001040048256 783438106 /nfs/dbraw/zinc/43/81/06/783438106.db2.gz QWIVGRAKLKWZTM-QGZVFWFLSA-N 1 2 334.420 0.778 20 30 ECEDLO C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001040048256 783438110 /nfs/dbraw/zinc/43/81/10/783438110.db2.gz QWIVGRAKLKWZTM-QGZVFWFLSA-N 1 2 334.420 0.778 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC1(CNC(=O)C#CC(C)C)CCOCC1 ZINC001070183506 783611279 /nfs/dbraw/zinc/61/12/79/783611279.db2.gz KIVQIUAHNRBJGJ-UHFFFAOYSA-N 1 2 346.431 0.702 20 30 ECEDLO Cc1conc1C[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1n1ccnn1 ZINC001070192699 783626225 /nfs/dbraw/zinc/62/62/25/783626225.db2.gz KIPFEKOTMYZGBU-CVEARBPZSA-N 1 2 340.387 0.530 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)c2cc(C)nn2C)C1=O ZINC001038089760 783839964 /nfs/dbraw/zinc/83/99/64/783839964.db2.gz OAZZZZNLHNYWFX-ZIAGYGMSSA-N 1 2 331.420 0.320 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)c2cc(C)nn2C)C1=O ZINC001038089760 783839972 /nfs/dbraw/zinc/83/99/72/783839972.db2.gz OAZZZZNLHNYWFX-ZIAGYGMSSA-N 1 2 331.420 0.320 20 30 ECEDLO C#CC[N@H+]1C[C@@H](c2nc(CNC(=O)[C@@H]3CCOC3)n[nH]2)[C@H](C2CC2)C1 ZINC001070351115 783859784 /nfs/dbraw/zinc/85/97/84/783859784.db2.gz IGDXMWGYQVSTPT-QLFBSQMISA-N 1 2 343.431 0.516 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](c2nc(CNC(=O)[C@@H]3CCOC3)n[nH]2)[C@H](C2CC2)C1 ZINC001070351115 783859793 /nfs/dbraw/zinc/85/97/93/783859793.db2.gz IGDXMWGYQVSTPT-QLFBSQMISA-N 1 2 343.431 0.516 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)c2cnn(CC)c2)C1=O ZINC001038125983 783887190 /nfs/dbraw/zinc/88/71/90/783887190.db2.gz IASKCZBSTWSZFY-CABCVRRESA-N 1 2 331.420 0.494 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)c2cnn(CC)c2)C1=O ZINC001038125983 783887194 /nfs/dbraw/zinc/88/71/94/783887194.db2.gz IASKCZBSTWSZFY-CABCVRRESA-N 1 2 331.420 0.494 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)c2cc[nH]c(=O)c2)C1=O ZINC001038149447 783919774 /nfs/dbraw/zinc/91/97/74/783919774.db2.gz AEFRWPIKJVCJMX-KBPBESRZSA-N 1 2 330.388 0.378 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)c2cc[nH]c(=O)c2)C1=O ZINC001038149447 783919780 /nfs/dbraw/zinc/91/97/80/783919780.db2.gz AEFRWPIKJVCJMX-KBPBESRZSA-N 1 2 330.388 0.378 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)c2nccn2CC)C1=O ZINC001038200871 783989353 /nfs/dbraw/zinc/98/93/53/783989353.db2.gz FKSLGMPSUDBGRY-KBPBESRZSA-N 1 2 331.420 0.494 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)c2nccn2CC)C1=O ZINC001038200871 783989355 /nfs/dbraw/zinc/98/93/55/783989355.db2.gz FKSLGMPSUDBGRY-KBPBESRZSA-N 1 2 331.420 0.494 20 30 ECEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cnnn2C)cc1C#N ZINC001038209296 783997614 /nfs/dbraw/zinc/99/76/14/783997614.db2.gz USDHBOQRQRDVCU-AWEZNQCLSA-N 1 2 340.387 0.700 20 30 ECEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cnnn2C)cc1C#N ZINC001038209296 783997619 /nfs/dbraw/zinc/99/76/19/783997619.db2.gz USDHBOQRQRDVCU-AWEZNQCLSA-N 1 2 340.387 0.700 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1ccccn1)C[C@H]2c1nnc(C)[nH]1 ZINC001070439163 784073933 /nfs/dbraw/zinc/07/39/33/784073933.db2.gz NVGMKBJYKMRLDW-AWEZNQCLSA-N 1 2 336.399 0.683 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1cnns1)C[C@H]2c1nnc(C)[nH]1 ZINC001070442742 784086428 /nfs/dbraw/zinc/08/64/28/784086428.db2.gz OKHLXBHRLFSCMA-NSHDSACASA-N 1 2 343.416 0.139 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001070906113 784087562 /nfs/dbraw/zinc/08/75/62/784087562.db2.gz SRZZVRIPZNZRSR-ZNMIVQPWSA-N 1 2 343.387 0.153 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001070906113 784087567 /nfs/dbraw/zinc/08/75/67/784087567.db2.gz SRZZVRIPZNZRSR-ZNMIVQPWSA-N 1 2 343.387 0.153 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2=COCCC2)C1 ZINC001070905879 784087650 /nfs/dbraw/zinc/08/76/50/784087650.db2.gz 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/nfs/dbraw/zinc/86/68/37/784866837.db2.gz QNULBYCOFWVYHA-CVEARBPZSA-N 1 2 335.448 0.570 20 30 ECEDLO C=CCN1CCN([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C(=O)C1 ZINC001071271045 784902371 /nfs/dbraw/zinc/90/23/71/784902371.db2.gz UFFKWHDKEFNYRK-INIZCTEOSA-N 1 2 345.447 0.594 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[C@@H](N3CC[N@@H+](CC)CC3=O)C2)cn1 ZINC001071276872 784919726 /nfs/dbraw/zinc/91/97/26/784919726.db2.gz CYYKBIBMXXYKSF-QGZVFWFLSA-N 1 2 340.427 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[C@@H](N3CC[N@H+](CC)CC3=O)C2)cn1 ZINC001071276872 784919734 /nfs/dbraw/zinc/91/97/34/784919734.db2.gz CYYKBIBMXXYKSF-QGZVFWFLSA-N 1 2 340.427 0.832 20 30 ECEDLO C=CCN1CCN([C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C(=O)C1 ZINC001071276879 784919836 /nfs/dbraw/zinc/91/98/36/784919836.db2.gz DBQGIAAYGIZEJI-HNNXBMFYSA-N 1 2 345.447 0.582 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3nonc3C)C2)C(=O)C1 ZINC001071279505 784926652 /nfs/dbraw/zinc/92/66/52/784926652.db2.gz ULDKGQOGIVTYGW-CQSZACIVSA-N 1 2 345.403 0.150 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3nonc3C)C2)C(=O)C1 ZINC001071279505 784926659 /nfs/dbraw/zinc/92/66/59/784926659.db2.gz ULDKGQOGIVTYGW-CQSZACIVSA-N 1 2 345.403 0.150 20 30 ECEDLO C=CCCC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001068751111 791068535 /nfs/dbraw/zinc/06/85/35/791068535.db2.gz LDUXGAKMWLQIGA-BFHYXJOUSA-N 1 2 344.415 0.966 20 30 ECEDLO C=CCCC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001068751111 791068547 /nfs/dbraw/zinc/06/85/47/791068547.db2.gz LDUXGAKMWLQIGA-BFHYXJOUSA-N 1 2 344.415 0.966 20 30 ECEDLO C=CCOCCCC(=O)N1C[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC001071877664 785258898 /nfs/dbraw/zinc/25/88/98/785258898.db2.gz GXSLDTBFESATLF-GJZGRUSLSA-N 1 2 334.420 0.829 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)CC[C@@H]1C ZINC001071904641 785298205 /nfs/dbraw/zinc/29/82/05/785298205.db2.gz MPKVSKFKPBPMLN-QWRGUYRKSA-N 1 2 328.800 0.260 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)CC[C@@H]1C ZINC001071904641 785298211 /nfs/dbraw/zinc/29/82/11/785298211.db2.gz MPKVSKFKPBPMLN-QWRGUYRKSA-N 1 2 328.800 0.260 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NC)C1 ZINC001071978034 785463266 /nfs/dbraw/zinc/46/32/66/785463266.db2.gz VFMIWHVBBJBWPX-ZIAGYGMSSA-N 1 2 346.431 0.975 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NC)C1 ZINC001071978034 785463271 /nfs/dbraw/zinc/46/32/71/785463271.db2.gz VFMIWHVBBJBWPX-ZIAGYGMSSA-N 1 2 346.431 0.975 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C ZINC001071661650 785472676 /nfs/dbraw/zinc/47/26/76/785472676.db2.gz MVDQEEVIDFZLOL-ZWNOBZJWSA-N 1 2 335.433 0.481 20 30 ECEDLO C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)CCc1c[nH+]cn1C ZINC001072040660 785564312 /nfs/dbraw/zinc/56/43/12/785564312.db2.gz ZFSFLHGPYGQRLR-BBRMVZONSA-N 1 2 328.416 0.729 20 30 ECEDLO C#CCOCCC(=O)N1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001072093521 785657231 /nfs/dbraw/zinc/65/72/31/785657231.db2.gz HNAZQVJXIMKBIP-UKRRQHHQSA-N 1 2 332.404 0.345 20 30 ECEDLO C#CCOCCC(=O)N1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001072093521 785657237 /nfs/dbraw/zinc/65/72/37/785657237.db2.gz HNAZQVJXIMKBIP-UKRRQHHQSA-N 1 2 332.404 0.345 20 30 ECEDLO C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1NC(=O)CSCC#N ZINC001072373496 786099382 /nfs/dbraw/zinc/09/93/82/786099382.db2.gz WTWRYLXAQUVLPA-ZIAGYGMSSA-N 1 2 349.460 0.883 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1NC(=O)CSCC#N ZINC001072430690 786173272 /nfs/dbraw/zinc/17/32/72/786173272.db2.gz XEVLHWQSFLRGAP-YPMHNXCESA-N 1 2 335.433 0.182 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc4n[nH]nc43)C[C@@H]21 ZINC001074243768 786495704 /nfs/dbraw/zinc/49/57/04/786495704.db2.gz BGJIJZKRCKOIJD-HOTGVXAUSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc4n[nH]nc43)C[C@@H]21 ZINC001074243768 786495706 /nfs/dbraw/zinc/49/57/06/786495706.db2.gz BGJIJZKRCKOIJD-HOTGVXAUSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001074263794 786540425 /nfs/dbraw/zinc/54/04/25/786540425.db2.gz PBQAOLVYDSAALK-UKRRQHHQSA-N 1 2 332.404 0.345 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3cn(C)nc3C)C[C@H]21 ZINC001074266887 786546394 /nfs/dbraw/zinc/54/63/94/786546394.db2.gz SQYPVBNCQUWPMJ-SJORKVTESA-N 1 2 330.432 0.596 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3cn(C)nc3C)C[C@H]21 ZINC001074266887 786546399 /nfs/dbraw/zinc/54/63/99/786546399.db2.gz SQYPVBNCQUWPMJ-SJORKVTESA-N 1 2 330.432 0.596 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(=O)n3C)C[C@H]21 ZINC001074336231 786700788 /nfs/dbraw/zinc/70/07/88/786700788.db2.gz LURFSTQKARYOPD-HZPDHXFCSA-N 1 2 329.400 0.324 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(=O)n3C)C[C@H]21 ZINC001074336231 786700795 /nfs/dbraw/zinc/70/07/95/786700795.db2.gz LURFSTQKARYOPD-HZPDHXFCSA-N 1 2 329.400 0.324 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3nccn4ccnc34)C[C@@H]21 ZINC001074341160 786710694 /nfs/dbraw/zinc/71/06/94/786710694.db2.gz QFCUYMWLAPRTPK-GJZGRUSLSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3nccn4ccnc34)C[C@@H]21 ZINC001074341160 786710699 /nfs/dbraw/zinc/71/06/99/786710699.db2.gz QFCUYMWLAPRTPK-GJZGRUSLSA-N 1 2 339.399 0.668 20 30 ECEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cncc(OC)n3)C[C@H]21 ZINC001074350828 786732271 /nfs/dbraw/zinc/73/22/71/786732271.db2.gz DQBYSTQTCSVSET-HUUCEWRRSA-N 1 2 332.404 0.977 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cncc(OC)n3)C[C@H]21 ZINC001074350828 786732277 /nfs/dbraw/zinc/73/22/77/786732277.db2.gz DQBYSTQTCSVSET-HUUCEWRRSA-N 1 2 332.404 0.977 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3OCC[N@@H+](CCCO)[C@H]3C2)nc1 ZINC001074384532 786818682 /nfs/dbraw/zinc/81/86/82/786818682.db2.gz IHGGOXMPZJZAAM-IRXDYDNUSA-N 1 2 329.400 0.361 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3OCC[N@H+](CCCO)[C@H]3C2)nc1 ZINC001074384532 786818695 /nfs/dbraw/zinc/81/86/95/786818695.db2.gz IHGGOXMPZJZAAM-IRXDYDNUSA-N 1 2 329.400 0.361 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(N(C)C)nn3)C[C@@H]21 ZINC001074384529 786819390 /nfs/dbraw/zinc/81/93/90/786819390.db2.gz IFJBQVBXGXIDQD-JKSUJKDBSA-N 1 2 343.431 0.481 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(N(C)C)nn3)C[C@@H]21 ZINC001074384529 786819398 /nfs/dbraw/zinc/81/93/98/786819398.db2.gz IFJBQVBXGXIDQD-JKSUJKDBSA-N 1 2 343.431 0.481 20 30 ECEDLO C=CCOc1ccc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)CCCO2)cc1 ZINC001073664844 786913499 /nfs/dbraw/zinc/91/34/99/786913499.db2.gz QIFBKZMBGMIIDU-INIZCTEOSA-N 1 2 347.415 0.557 20 30 ECEDLO C=CCOc1ccc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)CCCO2)cc1 ZINC001073664844 786913502 /nfs/dbraw/zinc/91/35/02/786913502.db2.gz QIFBKZMBGMIIDU-INIZCTEOSA-N 1 2 347.415 0.557 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2COCCN2CC)C1 ZINC001073670330 786924169 /nfs/dbraw/zinc/92/41/69/786924169.db2.gz GQTPCHGHRYINAE-LSDHHAIUSA-N 1 2 345.871 0.667 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2COCCN2CC)C1 ZINC001073670330 786924175 /nfs/dbraw/zinc/92/41/75/786924175.db2.gz GQTPCHGHRYINAE-LSDHHAIUSA-N 1 2 345.871 0.667 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)nc3)C[C@H]21 ZINC001074419041 786925063 /nfs/dbraw/zinc/92/50/63/786925063.db2.gz DSACMXNDZMQCNQ-CVEARBPZSA-N 1 2 342.399 0.119 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)nc3)C[C@H]21 ZINC001074419041 786925068 /nfs/dbraw/zinc/92/50/68/786925068.db2.gz DSACMXNDZMQCNQ-CVEARBPZSA-N 1 2 342.399 0.119 20 30 ECEDLO C#CCCCC(=O)N1CCC(O)(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001074563868 787267823 /nfs/dbraw/zinc/26/78/23/787267823.db2.gz FBRWSUJUFJVLSH-UHFFFAOYSA-N 1 2 332.404 0.225 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCCO[C@H](CNC(=O)c2cnon2)C1 ZINC001073827940 787290416 /nfs/dbraw/zinc/29/04/16/787290416.db2.gz BDZOYYVLSBLSRM-OAHLLOKOSA-N 1 2 341.371 0.962 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCCO[C@H](CNC(=O)c2cnon2)C1 ZINC001073827940 787290421 /nfs/dbraw/zinc/29/04/21/787290421.db2.gz BDZOYYVLSBLSRM-OAHLLOKOSA-N 1 2 341.371 0.962 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001073960358 787587063 /nfs/dbraw/zinc/58/70/63/787587063.db2.gz MZUSEHWSUIEMSH-ZBFHGGJFSA-N 1 2 346.431 0.356 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001074707410 787650465 /nfs/dbraw/zinc/65/04/65/787650465.db2.gz ZQGSIILNEKVCTJ-CQSZACIVSA-N 1 2 347.419 0.293 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC001074025627 787713487 /nfs/dbraw/zinc/71/34/87/787713487.db2.gz WBARVQUWHXTJRR-DZGCQCFKSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC001074025627 787713496 /nfs/dbraw/zinc/71/34/96/787713496.db2.gz WBARVQUWHXTJRR-DZGCQCFKSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCCOCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001074031306 787726444 /nfs/dbraw/zinc/72/64/44/787726444.db2.gz YULIJJMUAWDZMX-GDBMZVCRSA-N 1 2 348.447 0.909 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC001074077431 787819171 /nfs/dbraw/zinc/81/91/71/787819171.db2.gz SRQPDVVSFOFBBN-GOEBONIOSA-N 1 2 348.447 0.909 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(c2nnc3n2CC[N@@H+](CCF)C3)CC1 ZINC001074106534 787888374 /nfs/dbraw/zinc/88/83/74/787888374.db2.gz ZYPFIGLPQNHAOX-GFCCVEGCSA-N 1 2 334.399 0.929 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(c2nnc3n2CC[N@H+](CCF)C3)CC1 ZINC001074106534 787888382 /nfs/dbraw/zinc/88/83/82/787888382.db2.gz ZYPFIGLPQNHAOX-GFCCVEGCSA-N 1 2 334.399 0.929 20 30 ECEDLO C=C(C)C[N@@H+]1CCn2c(nnc2C2CCN(C(=O)CC(N)=O)CC2)C1 ZINC001074108472 787895141 /nfs/dbraw/zinc/89/51/41/787895141.db2.gz PMIJBOCKMAUMDZ-UHFFFAOYSA-N 1 2 346.435 0.251 20 30 ECEDLO C=C(C)C[N@H+]1CCn2c(nnc2C2CCN(C(=O)CC(N)=O)CC2)C1 ZINC001074108472 787895152 /nfs/dbraw/zinc/89/51/52/787895152.db2.gz PMIJBOCKMAUMDZ-UHFFFAOYSA-N 1 2 346.435 0.251 20 30 ECEDLO C#CCN1CC[NH+](Cc2ccc(CNC(=O)c3nnc[nH]3)cc2)CC1 ZINC001074111914 787901927 /nfs/dbraw/zinc/90/19/27/787901927.db2.gz DLENGRFAQWFLID-UHFFFAOYSA-N 1 2 338.415 0.486 20 30 ECEDLO 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CCCN(C(=O)c1cnccn1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267443209 837425778 /nfs/dbraw/zinc/42/57/78/837425778.db2.gz MZUQTRHDHAAJPF-ZDUSSCGKSA-N 1 2 330.392 0.043 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[C@@H]1CC[N@@H+](Cc2noc(CC)n2)C1 ZINC001267530953 837704101 /nfs/dbraw/zinc/70/41/01/837704101.db2.gz ICOMRRYXBYVSOW-UONOGXRCSA-N 1 2 334.420 0.999 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[C@@H]1CC[N@H+](Cc2noc(CC)n2)C1 ZINC001267530953 837704107 /nfs/dbraw/zinc/70/41/07/837704107.db2.gz ICOMRRYXBYVSOW-UONOGXRCSA-N 1 2 334.420 0.999 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)CC[NH+]1CCN(Cc2conc2C)CC1 ZINC001267572405 837808943 /nfs/dbraw/zinc/80/89/43/837808943.db2.gz KJKMCYHMGLCHFH-MRXNPFEDSA-N 1 2 348.447 0.597 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)CCN1CC[NH+](Cc2conc2C)CC1 ZINC001267572405 837808952 /nfs/dbraw/zinc/80/89/52/837808952.db2.gz KJKMCYHMGLCHFH-MRXNPFEDSA-N 1 2 348.447 0.597 20 30 ECEDLO CC#CCCCC(=O)N(C)CC[NH+]1CCN(CC(=O)NCC)CC1 ZINC001267574717 837823385 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C[N@H+](CCNC(=O)c1ccc(F)c2ccncc12)CC(=O)NCC#N ZINC001266314373 835681856 /nfs/dbraw/zinc/68/18/56/835681856.db2.gz XAJRDCPPPWPINK-UHFFFAOYSA-N 1 2 343.362 0.675 20 30 ECEDLO C[N@@H+](CCNC(=O)c1ccc(F)c2ccncc12)CC(=O)NCC#N ZINC001266314373 835681863 /nfs/dbraw/zinc/68/18/63/835681863.db2.gz XAJRDCPPPWPINK-UHFFFAOYSA-N 1 2 343.362 0.675 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001266325961 835703620 /nfs/dbraw/zinc/70/36/20/835703620.db2.gz VLGXBHITOPNDQI-HUUCEWRRSA-N 1 2 348.447 0.935 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001266325961 835703624 /nfs/dbraw/zinc/70/36/24/835703624.db2.gz VLGXBHITOPNDQI-HUUCEWRRSA-N 1 2 348.447 0.935 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2cn[nH]n2)C1 ZINC001266341293 835727299 /nfs/dbraw/zinc/72/72/99/835727299.db2.gz DTEKBTVATXVJAX-OAHLLOKOSA-N 1 2 348.451 0.352 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2cn[nH]n2)C1 ZINC001266341293 835727303 /nfs/dbraw/zinc/72/73/03/835727303.db2.gz DTEKBTVATXVJAX-OAHLLOKOSA-N 1 2 348.451 0.352 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]nn2)C1 ZINC001266341293 835727306 /nfs/dbraw/zinc/72/73/06/835727306.db2.gz DTEKBTVATXVJAX-OAHLLOKOSA-N 1 2 348.451 0.352 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]nn2)C1 ZINC001266341293 835727311 /nfs/dbraw/zinc/72/73/11/835727311.db2.gz DTEKBTVATXVJAX-OAHLLOKOSA-N 1 2 348.451 0.352 20 30 ECEDLO C#Cc1ccc(C(=O)NCC[N@@H+](C)CC(=O)N[C@H](C)C2CC2)cn1 ZINC001266351038 835748335 /nfs/dbraw/zinc/74/83/35/835748335.db2.gz YIXGLCPZAXMEMM-CYBMUJFWSA-N 1 2 328.416 0.639 20 30 ECEDLO C#Cc1ccc(C(=O)NCC[N@H+](C)CC(=O)N[C@H](C)C2CC2)cn1 ZINC001266351038 835748346 /nfs/dbraw/zinc/74/83/46/835748346.db2.gz YIXGLCPZAXMEMM-CYBMUJFWSA-N 1 2 328.416 0.639 20 30 ECEDLO Cc1nc(C(C)C)sc1C(=O)NCC[N@H+](C)CC(=O)NCC#N ZINC001266358536 835765383 /nfs/dbraw/zinc/76/53/83/835765383.db2.gz VOHGGDXYIZRSQZ-UHFFFAOYSA-N 1 2 337.449 0.876 20 30 ECEDLO Cc1nc(C(C)C)sc1C(=O)NCC[N@@H+](C)CC(=O)NCC#N ZINC001266358536 835765391 /nfs/dbraw/zinc/76/53/91/835765391.db2.gz VOHGGDXYIZRSQZ-UHFFFAOYSA-N 1 2 337.449 0.876 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3n[nH]nc3c2)C1 ZINC001266359319 835766640 /nfs/dbraw/zinc/76/66/40/835766640.db2.gz SKQGPFXMCJKVBX-GFCCVEGCSA-N 1 2 328.376 0.064 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc3n[nH]nc3c2)C1 ZINC001266359319 835766647 /nfs/dbraw/zinc/76/66/47/835766647.db2.gz SKQGPFXMCJKVBX-GFCCVEGCSA-N 1 2 328.376 0.064 20 30 ECEDLO COc1ccc(C(C)(C)C(=O)NCC[N@H+](C)CC(=O)NCC#N)cc1 ZINC001266359891 835770072 /nfs/dbraw/zinc/77/00/72/835770072.db2.gz IZEWQNFJBRPZRX-UHFFFAOYSA-N 1 2 346.431 0.661 20 30 ECEDLO COc1ccc(C(C)(C)C(=O)NCC[N@@H+](C)CC(=O)NCC#N)cc1 ZINC001266359891 835770077 /nfs/dbraw/zinc/77/00/77/835770077.db2.gz IZEWQNFJBRPZRX-UHFFFAOYSA-N 1 2 346.431 0.661 20 30 ECEDLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C2)c2c1CCC2 ZINC001266361785 835771707 /nfs/dbraw/zinc/77/17/07/835771707.db2.gz RZHAYHOVZBGFQB-AWEZNQCLSA-N 1 2 340.427 0.928 20 30 ECEDLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)c2c1CCC2 ZINC001266361785 835771716 /nfs/dbraw/zinc/77/17/16/835771716.db2.gz RZHAYHOVZBGFQB-AWEZNQCLSA-N 1 2 340.427 0.928 20 30 ECEDLO Cc1nnc(C[NH2+]CCOCCN(C)C(=O)c2ccc(C#N)[nH]2)o1 ZINC001279403119 835836971 /nfs/dbraw/zinc/83/69/71/835836971.db2.gz XIOAFQUJRVYMJZ-UHFFFAOYSA-N 1 2 332.364 0.456 20 30 ECEDLO CC[C@@H](CC(F)F)C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001266468250 835869731 /nfs/dbraw/zinc/86/97/31/835869731.db2.gz MVFPGRINMLHADU-RYUDHWBXSA-N 1 2 330.379 0.888 20 30 ECEDLO CC[C@@H](CC(F)F)C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001266468250 835869739 /nfs/dbraw/zinc/86/97/39/835869739.db2.gz MVFPGRINMLHADU-RYUDHWBXSA-N 1 2 330.379 0.888 20 30 ECEDLO C[C@@H](CC(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCC#N)c1ccncc1 ZINC001266468462 835869926 /nfs/dbraw/zinc/86/99/26/835869926.db2.gz QRAGLYSVQIJZMM-HOCLYGCPSA-N 1 2 343.431 0.796 20 30 ECEDLO C[C@@H](CC(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCC#N)c1ccncc1 ZINC001266468462 835869935 /nfs/dbraw/zinc/86/99/35/835869935.db2.gz QRAGLYSVQIJZMM-HOCLYGCPSA-N 1 2 343.431 0.796 20 30 ECEDLO CC(C)(C)C#CC(=O)NC[C@H]1CC[N@H+](CC(=O)Nc2cnccn2)C1 ZINC001266513588 835923571 /nfs/dbraw/zinc/92/35/71/835923571.db2.gz CRAPXLNJBFZKKA-CQSZACIVSA-N 1 2 343.431 0.903 20 30 ECEDLO CC(C)(C)C#CC(=O)NC[C@H]1CC[N@@H+](CC(=O)Nc2cnccn2)C1 ZINC001266513588 835923577 /nfs/dbraw/zinc/92/35/77/835923577.db2.gz CRAPXLNJBFZKKA-CQSZACIVSA-N 1 2 343.431 0.903 20 30 ECEDLO C#Cc1cncc(C(=O)NCC[N@@H+](CCC)Cc2cn(C)nn2)c1 ZINC001266571537 836003014 /nfs/dbraw/zinc/00/30/14/836003014.db2.gz XBOIAVBVUCPFAW-UHFFFAOYSA-N 1 2 326.404 0.833 20 30 ECEDLO C#Cc1cncc(C(=O)NCC[N@H+](CCC)Cc2cn(C)nn2)c1 ZINC001266571537 836003025 /nfs/dbraw/zinc/00/30/25/836003025.db2.gz XBOIAVBVUCPFAW-UHFFFAOYSA-N 1 2 326.404 0.833 20 30 ECEDLO C=CCNC(=O)C[N@H+](CCNC(=O)[C@@H]1CCn2ccnc2C1)C1CC1 ZINC001266600432 836033288 /nfs/dbraw/zinc/03/32/88/836033288.db2.gz UULKJUKBRJAHRL-CQSZACIVSA-N 1 2 345.447 0.328 20 30 ECEDLO C=CCNC(=O)C[N@@H+](CCNC(=O)[C@@H]1CCn2ccnc2C1)C1CC1 ZINC001266600432 836033297 /nfs/dbraw/zinc/03/32/97/836033297.db2.gz UULKJUKBRJAHRL-CQSZACIVSA-N 1 2 345.447 0.328 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@H]2C[N@H+](Cc3nnc(C)[nH]3)CC[C@H]21 ZINC001266658878 836095042 /nfs/dbraw/zinc/09/50/42/836095042.db2.gz JMLKWJYAQOZHPI-JKSUJKDBSA-N 1 2 345.447 0.966 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@H]2C[N@@H+](Cc3nnc(C)[nH]3)CC[C@H]21 ZINC001266658878 836095046 /nfs/dbraw/zinc/09/50/46/836095046.db2.gz JMLKWJYAQOZHPI-JKSUJKDBSA-N 1 2 345.447 0.966 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC=C(CNC(=O)CC[C@H]2CCCO2)CC1 ZINC001279493255 836216003 /nfs/dbraw/zinc/21/60/03/836216003.db2.gz QFQVQADJCWXTSP-OAHLLOKOSA-N 1 2 334.420 0.334 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC=C(CNC(=O)CC[C@H]2CCCO2)CC1 ZINC001279493255 836216012 /nfs/dbraw/zinc/21/60/12/836216012.db2.gz QFQVQADJCWXTSP-OAHLLOKOSA-N 1 2 334.420 0.334 20 30 ECEDLO CCn1ncnc1C[N@@H+]1CCC[C@@H](CNC(=O)CSCC#N)C1 ZINC001266740567 836222456 /nfs/dbraw/zinc/22/24/56/836222456.db2.gz UPQJIQDUADHZME-ZDUSSCGKSA-N 1 2 336.465 0.883 20 30 ECEDLO CCn1ncnc1C[N@H+]1CCC[C@@H](CNC(=O)CSCC#N)C1 ZINC001266740567 836222465 /nfs/dbraw/zinc/22/24/65/836222465.db2.gz UPQJIQDUADHZME-ZDUSSCGKSA-N 1 2 336.465 0.883 20 30 ECEDLO C=C[C@H](CC)CC(=O)N[C@]1(CO)CCC[N@@H+](CC(=O)NCC)C1 ZINC001279510157 836293830 /nfs/dbraw/zinc/29/38/30/836293830.db2.gz WJKGHNHSVMUIJH-RHSMWYFYSA-N 1 2 325.453 0.668 20 30 ECEDLO C=C[C@H](CC)CC(=O)N[C@]1(CO)CCC[N@H+](CC(=O)NCC)C1 ZINC001279510157 836293839 /nfs/dbraw/zinc/29/38/39/836293839.db2.gz WJKGHNHSVMUIJH-RHSMWYFYSA-N 1 2 325.453 0.668 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N[C@]1(CO)CCC[N@@H+](CC(=O)NCC)C1 ZINC001279510158 836294468 /nfs/dbraw/zinc/29/44/68/836294468.db2.gz WJKGHNHSVMUIJH-WMLDXEAASA-N 1 2 325.453 0.668 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N[C@]1(CO)CCC[N@H+](CC(=O)NCC)C1 ZINC001279510158 836294480 /nfs/dbraw/zinc/29/44/80/836294480.db2.gz WJKGHNHSVMUIJH-WMLDXEAASA-N 1 2 325.453 0.668 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@H](C)[NH2+]Cc1csc(NC(C)=O)n1 ZINC001266938480 836496722 /nfs/dbraw/zinc/49/67/22/836496722.db2.gz YFOUYEZLOATKNN-QWRGUYRKSA-N 1 2 338.433 0.734 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[C@@H]([NH2+]Cc2nc(CCOC)no2)C1 ZINC001267008914 836607810 /nfs/dbraw/zinc/60/78/10/836607810.db2.gz JGDLRNQBMKFHLT-WBMJQRKESA-N 1 2 338.408 0.276 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1c(C(F)(F)F)cnn1C ZINC001267229547 837030597 /nfs/dbraw/zinc/03/05/97/837030597.db2.gz JYXWCLFXDWSQCF-UHFFFAOYSA-N 1 2 347.341 0.403 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1c(C(F)(F)F)cnn1C ZINC001267229547 837030607 /nfs/dbraw/zinc/03/06/07/837030607.db2.gz JYXWCLFXDWSQCF-UHFFFAOYSA-N 1 2 347.341 0.403 20 30 ECEDLO Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NCC#N)cc1F ZINC001267271371 837112390 /nfs/dbraw/zinc/11/23/90/837112390.db2.gz ULQUTYUHLBLXEZ-CQSZACIVSA-N 1 2 332.379 0.968 20 30 ECEDLO Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NCC#N)cc1F ZINC001267271371 837112395 /nfs/dbraw/zinc/11/23/95/837112395.db2.gz ULQUTYUHLBLXEZ-CQSZACIVSA-N 1 2 332.379 0.968 20 30 ECEDLO C=C1CC(C)(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NC(=O)NCC)C1 ZINC001267276536 837120747 /nfs/dbraw/zinc/12/07/47/837120747.db2.gz RKEWXOBBYKUARO-ZDUSSCGKSA-N 1 2 336.436 0.769 20 30 ECEDLO C=C1CC(C)(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NC(=O)NCC)C1 ZINC001267276536 837120752 /nfs/dbraw/zinc/12/07/52/837120752.db2.gz RKEWXOBBYKUARO-ZDUSSCGKSA-N 1 2 336.436 0.769 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1cnnn1C ZINC001267277910 837123036 /nfs/dbraw/zinc/12/30/36/837123036.db2.gz COZKPAZCGSQNES-HOCLYGCPSA-N 1 2 348.451 0.367 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cnnn1C ZINC001267277910 837123043 /nfs/dbraw/zinc/12/30/43/837123043.db2.gz COZKPAZCGSQNES-HOCLYGCPSA-N 1 2 348.451 0.367 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnn2c1CCCC2 ZINC001267279478 837124935 /nfs/dbraw/zinc/12/49/35/837124935.db2.gz FWLOWOHRQRFWLS-ZDUSSCGKSA-N 1 2 344.419 0.053 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cnn2c1CCCC2 ZINC001267279478 837124943 /nfs/dbraw/zinc/12/49/43/837124943.db2.gz FWLOWOHRQRFWLS-ZDUSSCGKSA-N 1 2 344.419 0.053 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1nocc1C ZINC001267280048 837126265 /nfs/dbraw/zinc/12/62/65/837126265.db2.gz QGMXNTRGVMHEND-GFCCVEGCSA-N 1 2 349.391 0.189 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1nocc1C ZINC001267280048 837126269 /nfs/dbraw/zinc/12/62/69/837126269.db2.gz QGMXNTRGVMHEND-GFCCVEGCSA-N 1 2 349.391 0.189 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@H]1CC[N@H+](CC(=O)Nc2cnccn2)C1 ZINC001267291412 837143880 /nfs/dbraw/zinc/14/38/80/837143880.db2.gz FYTDMDQUEPOXJJ-DYVFJYSZSA-N 1 2 347.419 0.180 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@H]1CC[N@@H+](CC(=O)Nc2cnccn2)C1 ZINC001267291412 837143884 /nfs/dbraw/zinc/14/38/84/837143884.db2.gz FYTDMDQUEPOXJJ-DYVFJYSZSA-N 1 2 347.419 0.180 20 30 ECEDLO CC(C)C#CC(=O)NCC[N@H+](Cc1cc(=O)n2[nH]ccc2n1)C1CC1 ZINC001267325743 837204096 /nfs/dbraw/zinc/20/40/96/837204096.db2.gz KIZFMUWOSZNYRB-UHFFFAOYSA-N 1 2 341.415 0.763 20 30 ECEDLO CC(C)C#CC(=O)NCC[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)C1CC1 ZINC001267325743 837204106 /nfs/dbraw/zinc/20/41/06/837204106.db2.gz KIZFMUWOSZNYRB-UHFFFAOYSA-N 1 2 341.415 0.763 20 30 ECEDLO C[N@@H+](CC(=O)NCC#N)C[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001267583917 837853575 /nfs/dbraw/zinc/85/35/75/837853575.db2.gz WRJFTVXMMWHOAB-KOLCDFICSA-N 1 2 338.305 0.307 20 30 ECEDLO C[N@H+](CC(=O)NCC#N)C[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001267583917 837853583 /nfs/dbraw/zinc/85/35/83/837853583.db2.gz WRJFTVXMMWHOAB-KOLCDFICSA-N 1 2 338.305 0.307 20 30 ECEDLO C[N@@H+](CC(=O)NCC#N)C[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001267583917 837853594 /nfs/dbraw/zinc/85/35/94/837853594.db2.gz WRJFTVXMMWHOAB-KOLCDFICSA-N 1 2 338.305 0.307 20 30 ECEDLO C[N@H+](CC(=O)NCC#N)C[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001267583917 837853606 /nfs/dbraw/zinc/85/36/06/837853606.db2.gz WRJFTVXMMWHOAB-KOLCDFICSA-N 1 2 338.305 0.307 20 30 ECEDLO C=CCN1CC[NH+](CCN(C)C(=O)C[C@@H]2CCOC[C@H]2OC)CC1 ZINC001267607371 837949983 /nfs/dbraw/zinc/94/99/83/837949983.db2.gz GZUZSFZUYSTARA-DLBZAZTESA-N 1 2 339.480 0.690 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)Cc1noc2ccccc12 ZINC001267609300 837970457 /nfs/dbraw/zinc/97/04/57/837970457.db2.gz VTALXQBHDQFANJ-UHFFFAOYSA-N 1 2 341.415 0.970 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)C2CC2)C1 ZINC001267610631 837973988 /nfs/dbraw/zinc/97/39/88/837973988.db2.gz JCEVUFGVBDIZDJ-GXTWGEPZSA-N 1 2 336.436 0.625 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C2CC2)C1 ZINC001267610631 837973996 /nfs/dbraw/zinc/97/39/96/837973996.db2.gz JCEVUFGVBDIZDJ-GXTWGEPZSA-N 1 2 336.436 0.625 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)C(F)(F)F)C1 ZINC001267617546 838041025 /nfs/dbraw/zinc/04/10/25/838041025.db2.gz PHKWEPRCSWQYAJ-VXGBXAGGSA-N 1 2 333.354 0.905 20 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838067922 /nfs/dbraw/zinc/06/79/22/838067922.db2.gz XYCPHJCJXMZUEF-UONOGXRCSA-N 1 2 346.435 0.105 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)CCc3nc[nH]n3)C2)C1=O ZINC001267624276 838067936 /nfs/dbraw/zinc/06/79/36/838067936.db2.gz XYCPHJCJXMZUEF-UONOGXRCSA-N 1 2 346.435 0.105 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2nc(C)cc2C)C1 ZINC001267628587 838083194 /nfs/dbraw/zinc/08/31/94/838083194.db2.gz BXYMQONKIDRYCN-HNNXBMFYSA-N 1 2 333.436 0.383 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cn2nc(C)cc2C)C1 ZINC001267628587 838083204 /nfs/dbraw/zinc/08/32/04/838083204.db2.gz BXYMQONKIDRYCN-HNNXBMFYSA-N 1 2 333.436 0.383 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2ccc(OCC)nc2)C1 ZINC001267628454 838084243 /nfs/dbraw/zinc/08/42/43/838084243.db2.gz WYGMGWAKJDPYIB-HNNXBMFYSA-N 1 2 346.431 0.977 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(OCC)nc2)C1 ZINC001267628454 838084249 /nfs/dbraw/zinc/08/42/49/838084249.db2.gz WYGMGWAKJDPYIB-HNNXBMFYSA-N 1 2 346.431 0.977 20 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ECEDLO CN(C)c1cc(C#N)cc(C(=O)N[C@H](CO)C[NH+]2CCOCC2)c1 ZINC000425291107 210032740 /nfs/dbraw/zinc/03/27/40/210032740.db2.gz IACOIQNZSDLHLM-HNNXBMFYSA-N 1 2 332.404 0.047 20 30 ECEDLO COCCC[N@H+](CCO)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000189870699 237342359 /nfs/dbraw/zinc/34/23/59/237342359.db2.gz QFDVBKJLWAAOCM-UHFFFAOYSA-N 1 2 326.418 0.663 20 30 ECEDLO COCCC[N@@H+](CCO)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000189870699 237342363 /nfs/dbraw/zinc/34/23/63/237342363.db2.gz QFDVBKJLWAAOCM-UHFFFAOYSA-N 1 2 326.418 0.663 20 30 ECEDLO CCS(=O)(=O)NCCC[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000130342567 223146012 /nfs/dbraw/zinc/14/60/12/223146012.db2.gz GMCZHCZBSSGPRD-UHFFFAOYSA-N 1 2 337.449 0.405 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)nc2OCCC)C1 ZINC001077917009 781939530 /nfs/dbraw/zinc/93/95/30/781939530.db2.gz ZUPZGIYEZHJZTL-HZPDHXFCSA-N 1 2 331.416 0.977 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C)nc2OCCC)C1 ZINC001077917009 781939537 /nfs/dbraw/zinc/93/95/37/781939537.db2.gz ZUPZGIYEZHJZTL-HZPDHXFCSA-N 1 2 331.416 0.977 20 30 ECEDLO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000329389902 283710536 /nfs/dbraw/zinc/71/05/36/283710536.db2.gz SBZLNIRVOHYKGY-LBPRGKRZSA-N 1 2 335.360 0.665 20 30 ECEDLO C[C@@H]1CN(C(=O)C[NH+]2CCN(c3ncccc3C#N)CC2)C[C@@H](C)O1 ZINC000253604513 244038166 /nfs/dbraw/zinc/03/81/66/244038166.db2.gz XMCNOAMBZAHNAS-HUUCEWRRSA-N 1 2 343.431 0.711 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000264151461 246113621 /nfs/dbraw/zinc/11/36/21/246113621.db2.gz IVLMNACAQRVEJM-UHFFFAOYSA-N 1 2 327.428 0.821 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000264151461 246113625 /nfs/dbraw/zinc/11/36/25/246113625.db2.gz IVLMNACAQRVEJM-UHFFFAOYSA-N 1 2 327.428 0.821 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2ccccn2)CC1 ZINC000264995653 247120364 /nfs/dbraw/zinc/12/03/64/247120364.db2.gz KNAGMIQJVNWPGQ-UHFFFAOYSA-N 1 2 328.416 0.298 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2ccccn2)CC1 ZINC000264995653 247120366 /nfs/dbraw/zinc/12/03/66/247120366.db2.gz KNAGMIQJVNWPGQ-UHFFFAOYSA-N 1 2 328.416 0.298 20 30 ECEDLO Cc1ncc(S(=O)(=O)Nc2ccnn2CC[NH+](C)C)cc1C#N ZINC000451042375 211357443 /nfs/dbraw/zinc/35/74/43/211357443.db2.gz CSFSDNSRDNGDGS-UHFFFAOYSA-N 1 2 334.405 0.821 20 30 ECEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000268823288 252272315 /nfs/dbraw/zinc/27/23/15/252272315.db2.gz AIAWHYAPPIBCGH-LLVKDONJSA-N 1 2 347.400 0.573 20 30 ECEDLO C=CCn1c(C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000282672921 254555006 /nfs/dbraw/zinc/55/50/06/254555006.db2.gz SBGFEPZDMCIDOO-CQSZACIVSA-N 1 2 332.452 0.905 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](CN2C(=O)N[C@@H](CCCC)C2=O)CC1 ZINC000491121920 254897861 /nfs/dbraw/zinc/89/78/61/254897861.db2.gz SRDRRRRWSMZBOG-AWEZNQCLSA-N 1 2 334.420 0.516 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1COC(=O)NCCC ZINC000495835244 255048324 /nfs/dbraw/zinc/04/83/24/255048324.db2.gz FGOFJAABPYRLTE-ZDUSSCGKSA-N 1 2 340.424 0.989 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1COC(=O)NCCC ZINC000495835244 255048326 /nfs/dbraw/zinc/04/83/26/255048326.db2.gz FGOFJAABPYRLTE-ZDUSSCGKSA-N 1 2 340.424 0.989 20 30 ECEDLO C=CCONC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000495977435 255060308 /nfs/dbraw/zinc/06/03/08/255060308.db2.gz DJQNASGJFPBOKG-LBPRGKRZSA-N 1 2 328.413 0.954 20 30 ECEDLO C=CCONC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000495977435 255060309 /nfs/dbraw/zinc/06/03/09/255060309.db2.gz DJQNASGJFPBOKG-LBPRGKRZSA-N 1 2 328.413 0.954 20 30 ECEDLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000123324385 222256695 /nfs/dbraw/zinc/25/66/95/222256695.db2.gz CRQIEJCUWZEESP-CYBMUJFWSA-N 1 2 341.408 0.775 20 30 ECEDLO C#CCNC(=O)C1CC[NH+]([C@@H](C)c2nc(N)nc(N(C)C)n2)CC1 ZINC000491201844 420609159 /nfs/dbraw/zinc/60/91/59/420609159.db2.gz KFTXPTOGUHVHOB-NSHDSACASA-N 1 2 331.424 0.042 20 30 ECEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC000301822317 269894164 /nfs/dbraw/zinc/89/41/64/269894164.db2.gz BVLHOONJNBXGAL-GJZGRUSLSA-N 1 2 342.447 0.975 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](CC(=O)NC3CC3)CC2)cc1[N+](=O)[O-] ZINC000269945765 263214455 /nfs/dbraw/zinc/21/44/55/263214455.db2.gz HSCJUKDNUBFOGJ-UHFFFAOYSA-N 1 2 329.360 0.867 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCCCNC3=O)CC2)cc1 ZINC000371810154 269958222 /nfs/dbraw/zinc/95/82/22/269958222.db2.gz JYMASTHEJWCXAV-INIZCTEOSA-N 1 2 326.400 0.985 20 30 ECEDLO COCCO[C@H]1C[C@@H](CO)C[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000278254008 263824593 /nfs/dbraw/zinc/82/45/93/263824593.db2.gz HQDFOADFHPFZHN-WBVHZDCISA-N 1 2 347.415 0.843 20 30 ECEDLO COCCO[C@H]1C[C@@H](CO)C[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000278254008 263824594 /nfs/dbraw/zinc/82/45/94/263824594.db2.gz HQDFOADFHPFZHN-WBVHZDCISA-N 1 2 347.415 0.843 20 30 ECEDLO Cn1nc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(C#N)cc2)nc1N ZINC000284285020 264194050 /nfs/dbraw/zinc/19/40/50/264194050.db2.gz NOUQWPVVFFEOOJ-UKRRQHHQSA-N 1 2 342.403 0.846 20 30 ECEDLO Cn1nc([C@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(C#N)cc2)nc1N ZINC000284285020 264194053 /nfs/dbraw/zinc/19/40/53/264194053.db2.gz NOUQWPVVFFEOOJ-UKRRQHHQSA-N 1 2 342.403 0.846 20 30 ECEDLO Cn1nc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(C#N)cc2)nc1N ZINC000284285025 264194439 /nfs/dbraw/zinc/19/44/39/264194439.db2.gz NOUQWPVVFFEOOJ-ZFWWWQNUSA-N 1 2 342.403 0.846 20 30 ECEDLO Cn1nc([C@@H]2CCC[N@H+]2C[C@H](O)COc2ccc(C#N)cc2)nc1N ZINC000284285025 264194442 /nfs/dbraw/zinc/19/44/42/264194442.db2.gz NOUQWPVVFFEOOJ-ZFWWWQNUSA-N 1 2 342.403 0.846 20 30 ECEDLO N#Cc1cccnc1N1CC[NH+](CC2CCS(=O)(=O)CC2)CC1 ZINC000328600860 270005714 /nfs/dbraw/zinc/00/57/14/270005714.db2.gz DKEMGFZCQLUWPY-UHFFFAOYSA-N 1 2 334.445 0.900 20 30 ECEDLO COc1cc(C#N)ccc1S(=O)(=O)NCCC[NH+]1CCOCC1 ZINC000361644375 266801051 /nfs/dbraw/zinc/80/10/51/266801051.db2.gz MNAMIPQNROQTFQ-UHFFFAOYSA-N 1 2 339.417 0.567 20 30 ECEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000344800981 266995296 /nfs/dbraw/zinc/99/52/96/266995296.db2.gz AMYHJLIFSIYPOT-OAHLLOKOSA-N 1 2 347.415 0.479 20 30 ECEDLO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cnn(C)c2)ccc1C#N ZINC000367690546 267355799 /nfs/dbraw/zinc/35/57/99/267355799.db2.gz SEOSEWPEOMJDBO-MRXNPFEDSA-N 1 2 345.428 0.935 20 30 ECEDLO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)Cc1cccc(C#N)c1 ZINC000531151324 267363204 /nfs/dbraw/zinc/36/32/04/267363204.db2.gz RNWBCZKZUQESCG-UHFFFAOYSA-N 1 2 345.399 0.435 20 30 ECEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC3(CC2)NC(=O)NC3=O)cc1 ZINC000340723478 268139699 /nfs/dbraw/zinc/13/96/99/268139699.db2.gz ANPXOCJIUWOESI-UHFFFAOYSA-N 1 2 327.344 0.171 20 30 ECEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](C(=O)C3CC3)C2)cc1 ZINC000360970285 268178997 /nfs/dbraw/zinc/17/89/97/268178997.db2.gz ZDQCFERHNNQARD-NVXWUHKLSA-N 1 2 330.384 0.978 20 30 ECEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H](C(=O)C3CC3)C2)cc1 ZINC000360970285 268178999 /nfs/dbraw/zinc/17/89/99/268178999.db2.gz ZDQCFERHNNQARD-NVXWUHKLSA-N 1 2 330.384 0.978 20 30 ECEDLO N#Cc1cccc(CNC(=O)C[NH+]2CCC(c3n[nH]c(=O)[nH]3)CC2)c1 ZINC000377584519 268250059 /nfs/dbraw/zinc/25/00/59/268250059.db2.gz IVOADOAWEIGWGS-UHFFFAOYSA-N 1 2 340.387 0.878 20 30 ECEDLO N#Cc1cccc(N2CC[NH+](CC(=O)NCc3cccnc3)CC2)n1 ZINC000355125604 268261794 /nfs/dbraw/zinc/26/17/94/268261794.db2.gz MOOHHIMKGQIVRT-UHFFFAOYSA-N 1 2 336.399 0.787 20 30 ECEDLO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000528424215 268296818 /nfs/dbraw/zinc/29/68/18/268296818.db2.gz YFNFARJKQONKHZ-SJORKVTESA-N 1 2 331.416 0.704 20 30 ECEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000357897379 268308172 /nfs/dbraw/zinc/30/81/72/268308172.db2.gz XKAWIAHETAEKPY-SNVBAGLBSA-N 1 2 342.446 0.559 20 30 ECEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000357897379 268308174 /nfs/dbraw/zinc/30/81/74/268308174.db2.gz XKAWIAHETAEKPY-SNVBAGLBSA-N 1 2 342.446 0.559 20 30 ECEDLO N#Cc1ncccc1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000373012927 268328989 /nfs/dbraw/zinc/32/89/89/268328989.db2.gz JJVZVPNZTSRCGH-ZIAGYGMSSA-N 1 2 336.417 0.173 20 30 ECEDLO N#Cc1ncccc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000375436689 268330097 /nfs/dbraw/zinc/33/00/97/268330097.db2.gz GZWVWOAKMDEEIL-CHWSQXEVSA-N 1 2 336.417 0.485 20 30 ECEDLO N#Cc1ncccc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000375436689 268330099 /nfs/dbraw/zinc/33/00/99/268330099.db2.gz GZWVWOAKMDEEIL-CHWSQXEVSA-N 1 2 336.417 0.485 20 30 ECEDLO N#C[C@@]1(C(=O)NC[C@H](O)C[NH+]2CCOCC2)CCc2ccccc2C1 ZINC000376167692 279487136 /nfs/dbraw/zinc/48/71/36/279487136.db2.gz SGSKVAMGHZMHNA-PKOBYXMFSA-N 1 2 343.427 0.495 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428770023 280101139 /nfs/dbraw/zinc/10/11/39/280101139.db2.gz ZIOSLVXNOKVOOY-TZMCWYRMSA-N 1 2 330.454 0.007 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428770023 280101143 /nfs/dbraw/zinc/10/11/43/280101143.db2.gz ZIOSLVXNOKVOOY-TZMCWYRMSA-N 1 2 330.454 0.007 20 30 ECEDLO COCCN(C)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330742949 437604037 /nfs/dbraw/zinc/60/40/37/437604037.db2.gz TVDNEZKZFZEJSS-UHFFFAOYSA-N 1 2 335.408 0.593 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000416641015 298273397 /nfs/dbraw/zinc/27/33/97/298273397.db2.gz FLQXPWFRMNKKLT-CYBMUJFWSA-N 1 2 332.470 0.508 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000072014153 436033782 /nfs/dbraw/zinc/03/37/82/436033782.db2.gz KAJIHDXYZAQNGA-AWEZNQCLSA-N 1 2 331.420 0.616 20 30 ECEDLO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108306 436069338 /nfs/dbraw/zinc/06/93/38/436069338.db2.gz YZIGCCPPTXBRHQ-LBPRGKRZSA-N 1 2 330.392 0.309 20 30 ECEDLO CS(=O)(=O)N1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000026338223 436162865 /nfs/dbraw/zinc/16/28/65/436162865.db2.gz LLRIWDBTLVDFQL-UHFFFAOYSA-N 1 2 336.417 0.464 20 30 ECEDLO Cc1cc(C)c(NC(=O)NCCNS(=O)(=O)N(C)C)c(C)[nH+]1 ZINC000331343416 301183256 /nfs/dbraw/zinc/18/32/56/301183256.db2.gz UIESXHQSXLAWEX-UHFFFAOYSA-N 1 2 329.426 0.729 20 30 ECEDLO Cc1[nH+]c2ccccc2n1CCNc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000028743019 436190366 /nfs/dbraw/zinc/19/03/66/436190366.db2.gz UQQKPMKGODKTPC-UHFFFAOYSA-N 1 2 338.371 0.726 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000029705689 436208097 /nfs/dbraw/zinc/20/80/97/436208097.db2.gz HRSPCXCTLRGWQD-UHFFFAOYSA-N 1 2 344.415 0.846 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000029705689 436208102 /nfs/dbraw/zinc/20/81/02/436208102.db2.gz HRSPCXCTLRGWQD-UHFFFAOYSA-N 1 2 344.415 0.846 20 30 ECEDLO CCCS(=O)(=O)NC1CC[NH+](CC(=O)N(CC)CCC#N)CC1 ZINC000076947531 436220067 /nfs/dbraw/zinc/22/00/67/436220067.db2.gz ATNDLEFVBWARTJ-UHFFFAOYSA-N 1 2 344.481 0.542 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000078663123 436276426 /nfs/dbraw/zinc/27/64/26/436276426.db2.gz VHFNRJCVWIAKMQ-UHFFFAOYSA-N 1 2 331.376 0.560 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000078663123 436276427 /nfs/dbraw/zinc/27/64/27/436276427.db2.gz VHFNRJCVWIAKMQ-UHFFFAOYSA-N 1 2 331.376 0.560 20 30 ECEDLO N#Cc1cccnc1N1CC[NH+](CCn2nc3ccccn3c2=O)CC1 ZINC000079815945 436305785 /nfs/dbraw/zinc/30/57/85/436305785.db2.gz ORJMQGKQHAKHNU-UHFFFAOYSA-N 1 2 349.398 0.585 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)Cc2[nH+]ccn2C)CC1 ZINC000089267689 436408761 /nfs/dbraw/zinc/40/87/61/436408761.db2.gz AWPVIYKEKMYOPH-OAHLLOKOSA-N 1 2 332.452 0.544 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)N1CC[NH+](Cc2cccnc2)CC1 ZINC000091076857 436440994 /nfs/dbraw/zinc/44/09/94/436440994.db2.gz KJCXICDCRWTAGU-CQSZACIVSA-N 1 2 331.420 0.600 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(Cc2cccnc2)CC1 ZINC000091076857 436440997 /nfs/dbraw/zinc/44/09/97/436440997.db2.gz KJCXICDCRWTAGU-CQSZACIVSA-N 1 2 331.420 0.600 20 30 ECEDLO CCNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000092841546 436476924 /nfs/dbraw/zinc/47/69/24/436476924.db2.gz NSHLDQFGJPHWSC-JSGCOSHPSA-N 1 2 330.454 0.054 20 30 ECEDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000092841546 436476927 /nfs/dbraw/zinc/47/69/27/436476927.db2.gz NSHLDQFGJPHWSC-JSGCOSHPSA-N 1 2 330.454 0.054 20 30 ECEDLO C=C(C)CN(CC)C(=O)CN1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000053432746 436533026 /nfs/dbraw/zinc/53/30/26/436533026.db2.gz RLOOORSOSPURMA-UHFFFAOYSA-N 1 2 338.496 0.897 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(CC(=O)N(CC)CC)CC1 ZINC000053432746 436533028 /nfs/dbraw/zinc/53/30/28/436533028.db2.gz RLOOORSOSPURMA-UHFFFAOYSA-N 1 2 338.496 0.897 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000057551462 436613660 /nfs/dbraw/zinc/61/36/60/436613660.db2.gz IUIXUGDUFWBDFJ-GJZGRUSLSA-N 1 2 336.436 0.175 20 30 ECEDLO N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CCO1 ZINC000113640676 436638713 /nfs/dbraw/zinc/63/87/13/436638713.db2.gz MVGZSLCSPHUZPW-AWEZNQCLSA-N 1 2 325.328 0.562 20 30 ECEDLO COC(=O)c1cccc(CN(C)C[C@H](O)C[NH+]2CCOCC2)c1C#N ZINC000535965192 302132118 /nfs/dbraw/zinc/13/21/18/302132118.db2.gz XXWWSZKBMGGAJQ-HNNXBMFYSA-N 1 2 347.415 0.470 20 30 ECEDLO COC(=O)c1cccc(C[N@H+](C)C[C@H](O)CN2CCOCC2)c1C#N ZINC000535965192 302132122 /nfs/dbraw/zinc/13/21/22/302132122.db2.gz XXWWSZKBMGGAJQ-HNNXBMFYSA-N 1 2 347.415 0.470 20 30 ECEDLO COC(=O)c1cccc(C[N@@H+](C)C[C@H](O)CN2CCOCC2)c1C#N ZINC000535965192 302132125 /nfs/dbraw/zinc/13/21/25/302132125.db2.gz XXWWSZKBMGGAJQ-HNNXBMFYSA-N 1 2 347.415 0.470 20 30 ECEDLO C#Cc1cccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000063855030 436646574 /nfs/dbraw/zinc/64/65/74/436646574.db2.gz ZPVRVIQKGNIPQM-INIZCTEOSA-N 1 2 341.411 0.787 20 30 ECEDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)C(=O)NCc1ccco1 ZINC000115598542 436647537 /nfs/dbraw/zinc/64/75/37/436647537.db2.gz JRRVTLLWYCFFGU-ABAIWWIYSA-N 1 2 326.356 0.972 20 30 ECEDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1cc(C#N)cn1C)C2 ZINC000552008662 302379770 /nfs/dbraw/zinc/37/97/70/302379770.db2.gz RFICBZKORFRIJU-CYBMUJFWSA-N 1 2 327.388 0.681 20 30 ECEDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1cc(C#N)cn1C)C2 ZINC000552008663 302380019 /nfs/dbraw/zinc/38/00/19/302380019.db2.gz RFICBZKORFRIJU-ZDUSSCGKSA-N 1 2 327.388 0.681 20 30 ECEDLO C#CCN1CCN(C(=O)C[NH+]2CCN(c3cccs3)CC2)CC1 ZINC000121297109 436711927 /nfs/dbraw/zinc/71/19/27/436711927.db2.gz BFEPXXGNXXJIGG-UHFFFAOYSA-N 1 2 332.473 0.648 20 30 ECEDLO C=CCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000121626450 436720180 /nfs/dbraw/zinc/72/01/80/436720180.db2.gz QVKWGNPYQDSZFD-UHFFFAOYSA-N 1 2 332.408 0.331 20 30 ECEDLO C=CCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000121626450 436720183 /nfs/dbraw/zinc/72/01/83/436720183.db2.gz QVKWGNPYQDSZFD-UHFFFAOYSA-N 1 2 332.408 0.331 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccccc2C(=O)OC)CC1 ZINC000122205898 436733861 /nfs/dbraw/zinc/73/38/61/436733861.db2.gz JIIGIMSFBUPXCT-UHFFFAOYSA-N 1 2 331.416 0.893 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)[C@H](C)C1 ZINC000249150488 436818088 /nfs/dbraw/zinc/81/80/88/436818088.db2.gz HDDQXYUUNKQDGJ-KGLIPLIRSA-N 1 2 337.445 0.775 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)[C@H](C)C1 ZINC000249150488 436818089 /nfs/dbraw/zinc/81/80/89/436818089.db2.gz HDDQXYUUNKQDGJ-KGLIPLIRSA-N 1 2 337.445 0.775 20 30 ECEDLO CC(=O)NC1CC[NH+](CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000156693229 436819005 /nfs/dbraw/zinc/81/90/05/436819005.db2.gz XFRUPWXXXGVXBA-UHFFFAOYSA-N 1 2 335.429 0.932 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(Cl)cc2C(=O)NC)CC1 ZINC000154761775 436784493 /nfs/dbraw/zinc/78/44/93/436784493.db2.gz HJGOMQZZUNLRPU-UHFFFAOYSA-N 1 2 348.834 0.889 20 30 ECEDLO C[N@@H+]1CC[C@@H](NC(=O)Cn2cnc(C#N)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000246971104 436787316 /nfs/dbraw/zinc/78/73/16/436787316.db2.gz IVQWXRDBHCODAY-CZUORRHYSA-N 1 2 346.341 0.990 20 30 ECEDLO C[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C#N)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000246971104 436787318 /nfs/dbraw/zinc/78/73/18/436787318.db2.gz IVQWXRDBHCODAY-CZUORRHYSA-N 1 2 346.341 0.990 20 30 ECEDLO C[C@@H](Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N(C)CCC#N ZINC000273952112 436789909 /nfs/dbraw/zinc/78/99/09/436789909.db2.gz MXVNCZWSUMONMU-CQSZACIVSA-N 1 2 334.424 0.388 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000155699054 436800436 /nfs/dbraw/zinc/80/04/36/436800436.db2.gz PVJSBRHSAFXZAB-CYBMUJFWSA-N 1 2 342.465 0.295 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000155699054 436800438 /nfs/dbraw/zinc/80/04/38/436800438.db2.gz PVJSBRHSAFXZAB-CYBMUJFWSA-N 1 2 342.465 0.295 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000248461276 436803548 /nfs/dbraw/zinc/80/35/48/436803548.db2.gz XGIVMKFWUDXBFN-UKRRQHHQSA-N 1 2 341.477 0.451 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000248461276 436803550 /nfs/dbraw/zinc/80/35/50/436803550.db2.gz XGIVMKFWUDXBFN-UKRRQHHQSA-N 1 2 341.477 0.451 20 30 ECEDLO C=CCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000131826004 436857367 /nfs/dbraw/zinc/85/73/67/436857367.db2.gz MBKNNLFDYIXJFK-CQSZACIVSA-N 1 2 329.422 0.449 20 30 ECEDLO C[C@@H](NC(=O)C(=O)Nc1sccc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000293504720 436883703 /nfs/dbraw/zinc/88/37/03/436883703.db2.gz VBWSXQAMLODHIY-MNOVXSKESA-N 1 2 336.417 0.784 20 30 ECEDLO C[C@H]([C@H](C)NC(=O)C(=O)Nc1ccc(C#N)cc1F)[NH+]1CCOCC1 ZINC000136198373 436929945 /nfs/dbraw/zinc/92/99/45/436929945.db2.gz DNDHDSVZCBVXPU-NWDGAFQWSA-N 1 2 348.378 0.861 20 30 ECEDLO N#C[C@@H]1CN(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CCO1 ZINC000171593276 436981717 /nfs/dbraw/zinc/98/17/17/436981717.db2.gz BZNZJTVMXWKUBN-IAGOWNOFSA-N 1 2 344.415 0.994 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](CC(C)C)C(=O)OC)C1=O ZINC000281209105 436955036 /nfs/dbraw/zinc/95/50/36/436955036.db2.gz DBFMUGRSHRCWSG-KBPBESRZSA-N 1 2 339.436 0.409 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@@H](CC(C)C)C(=O)OC)C1=O ZINC000281209105 436955040 /nfs/dbraw/zinc/95/50/40/436955040.db2.gz DBFMUGRSHRCWSG-KBPBESRZSA-N 1 2 339.436 0.409 20 30 ECEDLO C=CCN(CCc1ccco1)C(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000297720589 437015647 /nfs/dbraw/zinc/01/56/47/437015647.db2.gz JPFOPBYIBIXTGI-HNNXBMFYSA-N 1 2 349.431 0.362 20 30 ECEDLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N(C)Cc2ccc(C#N)cc2)CC1 ZINC000297965386 437021273 /nfs/dbraw/zinc/02/12/73/437021273.db2.gz SWBIXKKQJBWOSE-CQSZACIVSA-N 1 2 344.415 0.042 20 30 ECEDLO CC#CC(=O)NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000283292786 437025857 /nfs/dbraw/zinc/02/58/57/437025857.db2.gz TUJFOCVLPTTZFJ-UHFFFAOYSA-N 1 2 335.429 0.262 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000298178119 437031238 /nfs/dbraw/zinc/03/12/38/437031238.db2.gz XIJWBFCQGQEJMB-CQSZACIVSA-N 1 2 329.466 0.543 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000298178119 437031243 /nfs/dbraw/zinc/03/12/43/437031243.db2.gz XIJWBFCQGQEJMB-CQSZACIVSA-N 1 2 329.466 0.543 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC[C@H]2CC[C@@H](C)O2)CC1 ZINC000173145953 437039918 /nfs/dbraw/zinc/03/99/18/437039918.db2.gz STETUMFNYGOYEO-HZPDHXFCSA-N 1 2 335.448 0.618 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC[C@H]2CC[C@@H](C)O2)CC1 ZINC000173145953 437039922 /nfs/dbraw/zinc/03/99/22/437039922.db2.gz STETUMFNYGOYEO-HZPDHXFCSA-N 1 2 335.448 0.618 20 30 ECEDLO C=CC[N@@H+](CCCN1C(=O)NC(C)(C)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000264565096 437047826 /nfs/dbraw/zinc/04/78/26/437047826.db2.gz PLNYAGKJHXNTIJ-GFCCVEGCSA-N 1 2 343.449 0.382 20 30 ECEDLO C=CC[N@H+](CCCN1C(=O)NC(C)(C)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000264565096 437047830 /nfs/dbraw/zinc/04/78/30/437047830.db2.gz PLNYAGKJHXNTIJ-GFCCVEGCSA-N 1 2 343.449 0.382 20 30 ECEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000284355552 437054280 /nfs/dbraw/zinc/05/42/80/437054280.db2.gz SKRHWBKVGZNEON-LBPRGKRZSA-N 1 2 332.364 0.198 20 30 ECEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000284355552 437054284 /nfs/dbraw/zinc/05/42/84/437054284.db2.gz SKRHWBKVGZNEON-LBPRGKRZSA-N 1 2 332.364 0.198 20 30 ECEDLO CN(C)S(=O)(=O)c1cccc(CO[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000284567867 437055557 /nfs/dbraw/zinc/05/55/57/437055557.db2.gz WSWAWQZDCMHZFC-ZDUSSCGKSA-N 1 2 327.406 0.905 20 30 ECEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2CS(N)(=O)=O)CCCCC1 ZINC000330801531 303145333 /nfs/dbraw/zinc/14/53/33/303145333.db2.gz ZTMJIBYESOJONY-LBPRGKRZSA-N 1 2 328.438 0.082 20 30 ECEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)CCCCC1 ZINC000330801531 303145334 /nfs/dbraw/zinc/14/53/34/303145334.db2.gz ZTMJIBYESOJONY-LBPRGKRZSA-N 1 2 328.438 0.082 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2nccs2)CC1 ZINC000264806090 437087094 /nfs/dbraw/zinc/08/70/94/437087094.db2.gz BFZHKCPBPKAHEC-UHFFFAOYSA-N 1 2 334.445 0.359 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2nccs2)CC1 ZINC000264806090 437087095 /nfs/dbraw/zinc/08/70/95/437087095.db2.gz BFZHKCPBPKAHEC-UHFFFAOYSA-N 1 2 334.445 0.359 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000331516594 437112417 /nfs/dbraw/zinc/11/24/17/437112417.db2.gz CERKTJGXDIEMOX-HFBAOOFYSA-N 1 2 335.408 0.103 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000331516594 437112421 /nfs/dbraw/zinc/11/24/21/437112421.db2.gz CERKTJGXDIEMOX-HFBAOOFYSA-N 1 2 335.408 0.103 20 30 ECEDLO CN(C)C(=O)Cn1nc2n(c1=O)CC[N@@H+](CCCC(C)(C)C#N)C2 ZINC000276517274 437120375 /nfs/dbraw/zinc/12/03/75/437120375.db2.gz YIXJLOHPDSKOGP-UHFFFAOYSA-N 1 2 334.424 0.279 20 30 ECEDLO CN(C)C(=O)Cn1nc2n(c1=O)CC[N@H+](CCCC(C)(C)C#N)C2 ZINC000276517274 437120380 /nfs/dbraw/zinc/12/03/80/437120380.db2.gz YIXJLOHPDSKOGP-UHFFFAOYSA-N 1 2 334.424 0.279 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000175949008 437126104 /nfs/dbraw/zinc/12/61/04/437126104.db2.gz YIFCBWFGKNNWOM-NSHDSACASA-N 1 2 334.351 0.473 20 30 ECEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000265482336 437138221 /nfs/dbraw/zinc/13/82/21/437138221.db2.gz SVFLDJFZYAPSRU-UHFFFAOYSA-N 1 2 343.431 0.670 20 30 ECEDLO CN1CC[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000265801056 437192042 /nfs/dbraw/zinc/19/20/42/437192042.db2.gz NJFZKWZTETUXRS-INIZCTEOSA-N 1 2 341.415 0.616 20 30 ECEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)c1 ZINC000177007264 437165642 /nfs/dbraw/zinc/16/56/42/437165642.db2.gz RMKNTSHAQJSVNO-CQSZACIVSA-N 1 2 339.355 0.777 20 30 ECEDLO CS(=O)(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000322548241 437218249 /nfs/dbraw/zinc/21/82/49/437218249.db2.gz MAZAKJIXWAPVKZ-CQSZACIVSA-N 1 2 338.429 0.807 20 30 ECEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCO[C@@H](C#N)C1)CC2 ZINC000332644190 437238438 /nfs/dbraw/zinc/23/84/38/437238438.db2.gz WNXTYVSUXDYKLG-HNNXBMFYSA-N 1 2 345.399 0.813 20 30 ECEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCO[C@@H](C#N)C1)CC2 ZINC000332644190 437238444 /nfs/dbraw/zinc/23/84/44/437238444.db2.gz WNXTYVSUXDYKLG-HNNXBMFYSA-N 1 2 345.399 0.813 20 30 ECEDLO O=C(NC[C@H]1CCCS1(=O)=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000328609953 437239657 /nfs/dbraw/zinc/23/96/57/437239657.db2.gz NGVIRVGKQSTLLK-VXGBXAGGSA-N 1 2 326.422 0.841 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)C1=O ZINC000332685951 437244931 /nfs/dbraw/zinc/24/49/31/437244931.db2.gz IKIWJHBLIDCMQB-DOTOQJQBSA-N 1 2 348.491 0.838 20 30 ECEDLO NS(=O)(=O)[C@@H]1CCCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000328673258 437251432 /nfs/dbraw/zinc/25/14/32/437251432.db2.gz OYCAZGUGLMMVMN-NWDGAFQWSA-N 1 2 341.437 0.427 20 30 ECEDLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCNC(=O)C1 ZINC000328714383 437256436 /nfs/dbraw/zinc/25/64/36/437256436.db2.gz DAUPPPLMXGWEHH-STQMWFEESA-N 1 2 338.408 0.243 20 30 ECEDLO CCn1cc[nH+]c1[C@@H](NC(=O)Cn1ncn(C)c1=O)C1CCOCC1 ZINC000329082490 437314613 /nfs/dbraw/zinc/31/46/13/437314613.db2.gz SDEGKIHCRCNKAS-AWEZNQCLSA-N 1 2 348.407 0.923 20 30 ECEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000329272009 437343923 /nfs/dbraw/zinc/34/39/23/437343923.db2.gz IIVLUTIBYBUVDZ-MCIONIFRSA-N 1 2 334.424 0.302 20 30 ECEDLO COCC(=O)N1CCC(NC(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000329350767 437355821 /nfs/dbraw/zinc/35/58/21/437355821.db2.gz WYEHCMZXDBGLEO-UHFFFAOYSA-N 1 2 339.436 0.835 20 30 ECEDLO CCc1nnc(N(C)C[C@@H](O)C[NH+]2CCOCC2)c(C#N)c1CC ZINC000268131233 437371401 /nfs/dbraw/zinc/37/14/01/437371401.db2.gz ALMUBAGWZPFHPG-CYBMUJFWSA-N 1 2 333.436 0.602 20 30 ECEDLO C[C@H]([C@H](C)NC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C)[NH+]1CCOCC1 ZINC000329137349 437325419 /nfs/dbraw/zinc/32/54/19/437325419.db2.gz RJKHSOLOGYVGJQ-DGAVXFQQSA-N 1 2 339.440 0.312 20 30 ECEDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)ccc1C#N ZINC000278647536 437332054 /nfs/dbraw/zinc/33/20/54/437332054.db2.gz DTVKOQRFZZTONZ-KGLIPLIRSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)ccc1C#N ZINC000278647536 437332056 /nfs/dbraw/zinc/33/20/56/437332056.db2.gz DTVKOQRFZZTONZ-KGLIPLIRSA-N 1 2 337.445 0.942 20 30 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/nfs/dbraw/zinc/40/68/77/437406877.db2.gz JJFWWGQGNLUKBD-MRXNPFEDSA-N 1 2 338.452 0.708 20 30 ECEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H]1CCCS(=O)(=O)C1 ZINC000329799887 437415343 /nfs/dbraw/zinc/41/53/43/437415343.db2.gz YAVACPQSTUOEOG-LLVKDONJSA-N 1 2 326.422 0.800 20 30 ECEDLO C[C@@H]1CN(C(=O)NC[C@@H]2CCc3[nH+]ccn3C2)CCS1(=O)=O ZINC000329905834 437428710 /nfs/dbraw/zinc/42/87/10/437428710.db2.gz JTVAQCHDHDCFJK-NEPJUHHUSA-N 1 2 326.422 0.478 20 30 ECEDLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)[C@@H](C)C1 ZINC000337747542 437378713 /nfs/dbraw/zinc/37/87/13/437378713.db2.gz DOERAWRRJJMQSV-STQMWFEESA-N 1 2 346.453 0.034 20 30 ECEDLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)[C@@H](C)C1 ZINC000337747542 437378719 /nfs/dbraw/zinc/37/87/19/437378719.db2.gz DOERAWRRJJMQSV-STQMWFEESA-N 1 2 346.453 0.034 20 30 ECEDLO C[C@H](NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)c1nc[nH]n1 ZINC000329577967 437385338 /nfs/dbraw/zinc/38/53/38/437385338.db2.gz WGANPKKNKPCCQI-LBPRGKRZSA-N 1 2 349.439 0.314 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437477991 /nfs/dbraw/zinc/47/79/91/437477991.db2.gz PYRUJGYGGUBTJA-HUUCEWRRSA-N 1 2 328.376 0.828 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cccc(-n4ccnn4)c3)C[C@H]21 ZINC000330266465 437477996 /nfs/dbraw/zinc/47/79/96/437477996.db2.gz PYRUJGYGGUBTJA-HUUCEWRRSA-N 1 2 328.376 0.828 20 30 ECEDLO COC(=O)[C@]1(C)CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000290423244 437484244 /nfs/dbraw/zinc/48/42/44/437484244.db2.gz UUEMSPQNRAGWPG-OAHLLOKOSA-N 1 2 337.401 0.612 20 30 ECEDLO COC(=O)[C@]1(C)CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000290423244 437484250 /nfs/dbraw/zinc/48/42/50/437484250.db2.gz UUEMSPQNRAGWPG-OAHLLOKOSA-N 1 2 337.401 0.612 20 30 ECEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)C1 ZINC000329963778 437437766 /nfs/dbraw/zinc/43/77/66/437437766.db2.gz UDMYFJZNCWVUFB-YSVLISHTSA-N 1 2 339.436 0.834 20 30 ECEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCO[C@]3(CCO[C@H]3C)C2)C1 ZINC000329963778 437437767 /nfs/dbraw/zinc/43/77/67/437437767.db2.gz UDMYFJZNCWVUFB-YSVLISHTSA-N 1 2 339.436 0.834 20 30 ECEDLO CN(C)C(=O)c1cccc(CNC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000329974358 437439049 /nfs/dbraw/zinc/43/90/49/437439049.db2.gz CZKGERHMMPYODQ-HOTGVXAUSA-N 1 2 346.431 0.817 20 30 ECEDLO CN(C)C(=O)c1cccc(CNC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000329974358 437439051 /nfs/dbraw/zinc/43/90/51/437439051.db2.gz CZKGERHMMPYODQ-HOTGVXAUSA-N 1 2 346.431 0.817 20 30 ECEDLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cnc3n2CCC3)CC1 ZINC000329985720 437441427 /nfs/dbraw/zinc/44/14/27/437441427.db2.gz DOACZKJUFOOZAZ-UHFFFAOYSA-N 1 2 341.437 0.158 20 30 ECEDLO CC1(C)C[N@H+](CCNC(=O)N2CC[C@@H](N3CCCC3=O)C2)CCO1 ZINC000330069100 437450207 /nfs/dbraw/zinc/45/02/07/437450207.db2.gz VZNVNPIZEAFGPO-CQSZACIVSA-N 1 2 338.452 0.708 20 30 ECEDLO CC1(C)C[N@@H+](CCNC(=O)N2CC[C@@H](N3CCCC3=O)C2)CCO1 ZINC000330069100 437450208 /nfs/dbraw/zinc/45/02/08/437450208.db2.gz VZNVNPIZEAFGPO-CQSZACIVSA-N 1 2 338.452 0.708 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CCCO)CC2)c(Cl)c1 ZINC000186236426 437465380 /nfs/dbraw/zinc/46/53/80/437465380.db2.gz PWFPJQCAQCLGLK-UHFFFAOYSA-N 1 2 343.836 0.900 20 30 ECEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000339437512 437466557 /nfs/dbraw/zinc/46/65/57/437466557.db2.gz LEDQJWRSSWOESY-HNNXBMFYSA-N 1 2 347.415 0.525 20 30 ECEDLO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000330193003 437466620 /nfs/dbraw/zinc/46/66/20/437466620.db2.gz AEFJXFNKNZIDOO-STQMWFEESA-N 1 2 345.465 0.273 20 30 ECEDLO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000330193003 437466624 /nfs/dbraw/zinc/46/66/24/437466624.db2.gz AEFJXFNKNZIDOO-STQMWFEESA-N 1 2 345.465 0.273 20 30 ECEDLO O=C(NCC[NH+]1CCOCC1)N[C@H]1CCOC2(CCOCC2)C1 ZINC000330197106 437468262 /nfs/dbraw/zinc/46/82/62/437468262.db2.gz RIXKCLVIILSRLH-AWEZNQCLSA-N 1 2 327.425 0.550 20 30 ECEDLO C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@H](S(C)(=O)=O)C2)C[C@H](C)O1 ZINC000330417685 437505564 /nfs/dbraw/zinc/50/55/64/437505564.db2.gz OQGCUDBRDHHIKG-MJBXVCDLSA-N 1 2 347.481 0.519 20 30 ECEDLO C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@H](S(C)(=O)=O)C2)C[C@H](C)O1 ZINC000330417685 437505571 /nfs/dbraw/zinc/50/55/71/437505571.db2.gz OQGCUDBRDHHIKG-MJBXVCDLSA-N 1 2 347.481 0.519 20 30 ECEDLO CCN1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000330437611 437510222 /nfs/dbraw/zinc/51/02/22/437510222.db2.gz ZGUZABBRHZDOBZ-OLZOCXBDSA-N 1 2 340.453 0.567 20 30 ECEDLO C=C(C)CN(CC)C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000339896871 437513559 /nfs/dbraw/zinc/51/35/59/437513559.db2.gz BRKKGQOXUQWKMQ-OAHLLOKOSA-N 1 2 325.453 0.884 20 30 ECEDLO N#CCCCC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000360140208 437533349 /nfs/dbraw/zinc/53/33/49/437533349.db2.gz GUMPEZPMEQMAIU-UHFFFAOYSA-N 1 2 329.404 0.930 20 30 ECEDLO C[C@H](NC(=O)c1coc(S(N)(=O)=O)c1)[C@H](C)[NH+]1CCOCC1 ZINC000330543230 437547569 /nfs/dbraw/zinc/54/75/69/437547569.db2.gz TUVFJCLWDNJCAK-UWVGGRQHSA-N 1 2 331.394 0.341 20 30 ECEDLO NC(=O)[C@H]1CSCC[N@@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000330551422 437549027 /nfs/dbraw/zinc/54/90/27/437549027.db2.gz BOVFAXVKEHQDRY-SSDOTTSWSA-N 1 2 342.343 0.922 20 30 ECEDLO NC(=O)[C@H]1CSCC[N@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000330551422 437549031 /nfs/dbraw/zinc/54/90/31/437549031.db2.gz BOVFAXVKEHQDRY-SSDOTTSWSA-N 1 2 342.343 0.922 20 30 ECEDLO CN(C)c1[nH+]cccc1CNC(=O)C(=O)NCc1cccc(C#N)c1 ZINC000340151222 437585430 /nfs/dbraw/zinc/58/54/30/437585430.db2.gz QQJIIAIALWYNNV-UHFFFAOYSA-N 1 2 337.383 0.952 20 30 ECEDLO CNC(=O)c1cccc(CNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)c1 ZINC000330689794 437590506 /nfs/dbraw/zinc/59/05/06/437590506.db2.gz FFSOZKHLSUNQFZ-OAHLLOKOSA-N 1 2 333.436 0.870 20 30 ECEDLO CNC(=O)c1cccc(CNC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)c1 ZINC000330689794 437590512 /nfs/dbraw/zinc/59/05/12/437590512.db2.gz FFSOZKHLSUNQFZ-OAHLLOKOSA-N 1 2 333.436 0.870 20 30 ECEDLO C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc(CS(C)(=O)=O)cc2)C1 ZINC000330847582 437634021 /nfs/dbraw/zinc/63/40/21/437634021.db2.gz PGHNCNJJBWGWCS-CQSZACIVSA-N 1 2 341.433 0.888 20 30 ECEDLO C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc(CS(C)(=O)=O)cc2)C1 ZINC000330847582 437634022 /nfs/dbraw/zinc/63/40/22/437634022.db2.gz PGHNCNJJBWGWCS-CQSZACIVSA-N 1 2 341.433 0.888 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@]2(C)CC2(Cl)Cl)CC1 ZINC000360985115 437653268 /nfs/dbraw/zinc/65/32/68/437653268.db2.gz PBJFUAUABCPWGH-AWEZNQCLSA-N 1 2 346.258 0.854 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@]2(C)CC2(Cl)Cl)CC1 ZINC000360985115 437653270 /nfs/dbraw/zinc/65/32/70/437653270.db2.gz PBJFUAUABCPWGH-AWEZNQCLSA-N 1 2 346.258 0.854 20 30 ECEDLO C[C@@H](CNC(=O)NC1CCC(S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC000330941985 437654301 /nfs/dbraw/zinc/65/43/01/437654301.db2.gz ZEWBNYIYLSQFNR-HSBZDZAISA-N 1 2 347.481 0.567 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000330954874 437656990 /nfs/dbraw/zinc/65/69/90/437656990.db2.gz SYSZOUCEVPQSFT-CVEARBPZSA-N 1 2 337.464 0.980 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000330974749 437662088 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/nfs/dbraw/zinc/33/25/76/438332576.db2.gz KKBCUDWNNQUJRP-QWHCGFSZSA-N 1 2 342.465 0.470 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCN2C(=O)N(CC)C(=O)[C@H]2C1 ZINC000378018779 438338127 /nfs/dbraw/zinc/33/81/27/438338127.db2.gz NJEHHTBNBZYGOF-ZIAGYGMSSA-N 1 2 336.436 0.768 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCN2C(=O)N(CC)C(=O)[C@H]2C1 ZINC000378018779 438338129 /nfs/dbraw/zinc/33/81/29/438338129.db2.gz NJEHHTBNBZYGOF-ZIAGYGMSSA-N 1 2 336.436 0.768 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000377208479 438304022 /nfs/dbraw/zinc/30/40/22/438304022.db2.gz RVFPROLFIREWEJ-ZIAGYGMSSA-N 1 2 347.481 0.050 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000377208479 438304027 /nfs/dbraw/zinc/30/40/27/438304027.db2.gz RVFPROLFIREWEJ-ZIAGYGMSSA-N 1 2 347.481 0.050 20 30 ECEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000377530320 438311798 /nfs/dbraw/zinc/31/17/98/438311798.db2.gz BGSBMGNAPLETOO-NSHDSACASA-N 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438348155 /nfs/dbraw/zinc/34/81/55/438348155.db2.gz GRCWLJJHHYBHMB-UHFFFAOYSA-N 1 2 329.466 0.569 20 30 ECEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](O)C[C@H]2CO)cc1 ZINC000352031618 438371029 /nfs/dbraw/zinc/37/10/29/438371029.db2.gz GDMDFOPPLYDBHN-HOTGVXAUSA-N 1 2 347.415 0.759 20 30 ECEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](O)C[C@H]2CO)cc1 ZINC000352031618 438371033 /nfs/dbraw/zinc/37/10/33/438371033.db2.gz GDMDFOPPLYDBHN-HOTGVXAUSA-N 1 2 347.415 0.759 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@H](C(=O)OC)C(C)C)C1=O ZINC000352106499 438384291 /nfs/dbraw/zinc/38/42/91/438384291.db2.gz WTMIFNUMZBMEQW-OCCSQVGLSA-N 1 2 325.409 0.019 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@H](C(=O)OC)C(C)C)C1=O ZINC000352106499 438384295 /nfs/dbraw/zinc/38/42/95/438384295.db2.gz WTMIFNUMZBMEQW-OCCSQVGLSA-N 1 2 325.409 0.019 20 30 ECEDLO COc1cc(C[NH+]2CCN(CC#N)CC2)cc(OC)c1OCC(N)=O ZINC000353134151 438502098 /nfs/dbraw/zinc/50/20/98/438502098.db2.gz HCIPAGBAPIRCFC-UHFFFAOYSA-N 1 2 348.403 0.209 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000353213117 438503144 /nfs/dbraw/zinc/50/31/44/438503144.db2.gz ZMMOFJNDQVKOCJ-JKSUJKDBSA-N 1 2 326.437 0.917 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000369907219 438526503 /nfs/dbraw/zinc/52/65/03/438526503.db2.gz WGRUDVFRSHEVSS-GJZGRUSLSA-N 1 2 335.452 0.033 20 30 ECEDLO Cc1ccnc(N2CC[NH+]([C@@H](C)C(=O)N3CCOCC3)CC2)c1C#N ZINC000408182559 438530471 /nfs/dbraw/zinc/53/04/71/438530471.db2.gz KURKOFAYALZGMT-HNNXBMFYSA-N 1 2 343.431 0.631 20 30 ECEDLO C[C@@H](NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)C(=O)N(C)C ZINC000370306592 438569313 /nfs/dbraw/zinc/56/93/13/438569313.db2.gz BWQBLJFNLQTIOV-CQSZACIVSA-N 1 2 343.431 0.532 20 30 ECEDLO N#Cc1cncc(S(=O)(=O)NC(=O)C2CC[NH+](C3CC3)CC2)c1 ZINC000408489766 438580025 /nfs/dbraw/zinc/58/00/25/438580025.db2.gz WAOHOUKQWPLKIS-UHFFFAOYSA-N 1 2 334.401 0.633 20 30 ECEDLO C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O ZINC000414115158 438699988 /nfs/dbraw/zinc/69/99/88/438699988.db2.gz USERAJYISXRFPE-PBHICJAKSA-N 1 2 348.378 0.799 20 30 ECEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O ZINC000414115158 438699990 /nfs/dbraw/zinc/69/99/90/438699990.db2.gz USERAJYISXRFPE-PBHICJAKSA-N 1 2 348.378 0.799 20 30 ECEDLO CO[C@H]1CC[N@H+](CC(=O)NCC#N)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000495223398 438725366 /nfs/dbraw/zinc/72/53/66/438725366.db2.gz UCBLEAJCVDHHQV-OLZOCXBDSA-N 1 2 340.424 0.630 20 30 ECEDLO CO[C@H]1CC[N@@H+](CC(=O)NCC#N)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000495223398 438725367 /nfs/dbraw/zinc/72/53/67/438725367.db2.gz UCBLEAJCVDHHQV-OLZOCXBDSA-N 1 2 340.424 0.630 20 30 ECEDLO C[C@H](C#N)S(=O)(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000496995336 438754525 /nfs/dbraw/zinc/75/45/25/438754525.db2.gz IOVAAPJBCXPDEO-NEPJUHHUSA-N 1 2 346.453 0.369 20 30 ECEDLO C[C@H](C#N)S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000496995336 438754527 /nfs/dbraw/zinc/75/45/27/438754527.db2.gz IOVAAPJBCXPDEO-NEPJUHHUSA-N 1 2 346.453 0.369 20 30 ECEDLO COc1ccccc1COC[C@@H](O)C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000576118647 438768740 /nfs/dbraw/zinc/76/87/40/438768740.db2.gz UYECVRCQYJHBSY-INIZCTEOSA-N 1 2 347.415 0.631 20 30 ECEDLO N#CC1(NC(=O)C[N@@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)CCC1 ZINC000559308166 438834209 /nfs/dbraw/zinc/83/42/09/438834209.db2.gz RANJHGGAZHWFMA-INIZCTEOSA-N 1 2 340.427 0.982 20 30 ECEDLO N#CC1(NC(=O)C[N@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)CCC1 ZINC000559308166 438834214 /nfs/dbraw/zinc/83/42/14/438834214.db2.gz RANJHGGAZHWFMA-INIZCTEOSA-N 1 2 340.427 0.982 20 30 ECEDLO N#Cc1sccc1N1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000595633091 438835905 /nfs/dbraw/zinc/83/59/05/438835905.db2.gz LXVMMGWWLSPHAY-AWEZNQCLSA-N 1 2 336.461 0.435 20 30 ECEDLO C=CCC[C@@H](CO)NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000457953469 438844807 /nfs/dbraw/zinc/84/48/07/438844807.db2.gz RJCKFQIGQYNKLZ-GOEBONIOSA-N 1 2 343.493 0.821 20 30 ECEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)CCC1 ZINC000561875060 438848562 /nfs/dbraw/zinc/84/85/62/438848562.db2.gz ABLHFOYXJASSSN-ZDUSSCGKSA-N 1 2 340.449 0.049 20 30 ECEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)CCC1 ZINC000561875060 438848566 /nfs/dbraw/zinc/84/85/66/438848566.db2.gz ABLHFOYXJASSSN-ZDUSSCGKSA-N 1 2 340.449 0.049 20 30 ECEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C[C@@H]1COCCO1 ZINC000595734800 438851900 /nfs/dbraw/zinc/85/19/00/438851900.db2.gz BKLOJSPYMWCXBF-CYBMUJFWSA-N 1 2 325.390 0.074 20 30 ECEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C[C@@H]1COCCO1 ZINC000595734800 438851902 /nfs/dbraw/zinc/85/19/02/438851902.db2.gz BKLOJSPYMWCXBF-CYBMUJFWSA-N 1 2 325.390 0.074 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000601453359 438900608 /nfs/dbraw/zinc/90/06/08/438900608.db2.gz SAFGGTVYRZUPEY-ZIAGYGMSSA-N 1 2 344.481 0.556 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N[C@@H]2CC[C@H](C#N)C2)C1=O ZINC000563024515 438857732 /nfs/dbraw/zinc/85/77/32/438857732.db2.gz AUOJTRMOTGRVNK-MJBXVCDLSA-N 1 2 344.419 0.903 20 30 ECEDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NC2(c3cccc(C#N)c3)CC2)C1 ZINC000601376647 438866636 /nfs/dbraw/zinc/86/66/36/438866636.db2.gz NDXJVAXRCYRTSD-HNNXBMFYSA-N 1 2 335.429 0.797 20 30 ECEDLO C[N@H+]1CCO[C@H](CS(=O)(=O)NC2(c3cccc(C#N)c3)CC2)C1 ZINC000601376647 438866642 /nfs/dbraw/zinc/86/66/42/438866642.db2.gz NDXJVAXRCYRTSD-HNNXBMFYSA-N 1 2 335.429 0.797 20 30 ECEDLO N#Cc1cncc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000589285556 438867768 /nfs/dbraw/zinc/86/77/68/438867768.db2.gz YTOMODLDFIQEJM-HUUCEWRRSA-N 1 2 336.417 0.173 20 30 ECEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000595841597 438868337 /nfs/dbraw/zinc/86/83/37/438868337.db2.gz MNRIKCRODRLYAY-RWMBFGLXSA-N 1 2 341.433 0.182 20 30 ECEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000595841597 438868340 /nfs/dbraw/zinc/86/83/40/438868340.db2.gz MNRIKCRODRLYAY-RWMBFGLXSA-N 1 2 341.433 0.182 20 30 ECEDLO CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000564871152 438880663 /nfs/dbraw/zinc/88/06/63/438880663.db2.gz FRVJALIZBIZTDW-HNNXBMFYSA-N 1 2 338.433 0.511 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000564870603 438881984 /nfs/dbraw/zinc/88/19/84/438881984.db2.gz CRWCTWVUBNFEGW-YJBOKZPZSA-N 1 2 328.416 0.995 20 30 ECEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000601413017 438882969 /nfs/dbraw/zinc/88/29/69/438882969.db2.gz YNMLQZOEZQAHGN-CYBMUJFWSA-N 1 2 343.836 0.962 20 30 ECEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000601413017 438882974 /nfs/dbraw/zinc/88/29/74/438882974.db2.gz YNMLQZOEZQAHGN-CYBMUJFWSA-N 1 2 343.836 0.962 20 30 ECEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000601433480 438892451 /nfs/dbraw/zinc/89/24/51/438892451.db2.gz DHOOWLITLBGFLQ-LBPRGKRZSA-N 1 2 341.408 0.693 20 30 ECEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000601433480 438892455 /nfs/dbraw/zinc/89/24/55/438892455.db2.gz DHOOWLITLBGFLQ-LBPRGKRZSA-N 1 2 341.408 0.693 20 30 ECEDLO N#CCCN1CCN(C(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000601437234 438893860 /nfs/dbraw/zinc/89/38/60/438893860.db2.gz OYIQTKFCKQYKBK-CQSZACIVSA-N 1 2 344.419 0.174 20 30 ECEDLO N#C[C@H]1CC[C@@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000578352179 438917334 /nfs/dbraw/zinc/91/73/34/438917334.db2.gz IGSGUUMJVYIWTG-UONOGXRCSA-N 1 2 332.408 1.029 20 30 ECEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3c(C#N)cnn3C)CC2)C1 ZINC000596060992 438919602 /nfs/dbraw/zinc/91/96/02/438919602.db2.gz MGYGEFIAKFVMHJ-GJZGRUSLSA-N 1 2 344.463 0.918 20 30 ECEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3cc(C#N)cnn3)CC2)C1 ZINC000596061010 438919666 /nfs/dbraw/zinc/91/96/66/438919666.db2.gz MLXALXDWEUKBKO-GJZGRUSLSA-N 1 2 342.447 0.975 20 30 ECEDLO N#Cc1cnnc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)c1 ZINC000596062583 438920618 /nfs/dbraw/zinc/92/06/18/438920618.db2.gz XEYQFRJOOOMWGC-UHFFFAOYSA-N 1 2 328.420 0.873 20 30 ECEDLO N#CC1(CS(=O)(=O)N2CC[NH+](CCc3cnccn3)CC2)CC1 ZINC000601520849 438925139 /nfs/dbraw/zinc/92/51/39/438925139.db2.gz OLVAQXFUANXISW-UHFFFAOYSA-N 1 2 335.433 0.270 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2nc(C#N)ccc2C)CC1 ZINC000596106866 438925292 /nfs/dbraw/zinc/92/52/92/438925292.db2.gz HZDSUNNGEXUUHQ-OAHLLOKOSA-N 1 2 345.447 0.925 20 30 ECEDLO C[N@@H+]1C[C@@H]2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)[C@@H]2C1 ZINC000590442049 438925597 /nfs/dbraw/zinc/92/55/97/438925597.db2.gz FXIWLGGDVWALRK-JKSUJKDBSA-N 1 2 347.440 0.636 20 30 ECEDLO C[N@H+]1C[C@@H]2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)[C@@H]2C1 ZINC000590442049 438925600 /nfs/dbraw/zinc/92/56/00/438925600.db2.gz FXIWLGGDVWALRK-JKSUJKDBSA-N 1 2 347.440 0.636 20 30 ECEDLO CCc1nc(C#N)cc(N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)n1 ZINC000596189993 438938965 /nfs/dbraw/zinc/93/89/65/438938965.db2.gz NVSNFHYTXMZZJI-ZDUSSCGKSA-N 1 2 339.403 1.247 20 30 ECEDLO C[C@@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)[C@@H]1C[N@H+](C)CCO1 ZINC000590750167 438953276 /nfs/dbraw/zinc/95/32/76/438953276.db2.gz UVEPYPKCCXVMTG-ABAIWWIYSA-N 1 2 341.408 0.836 20 30 ECEDLO C[C@@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)[C@@H]1C[N@@H+](C)CCO1 ZINC000590750167 438953281 /nfs/dbraw/zinc/95/32/81/438953281.db2.gz UVEPYPKCCXVMTG-ABAIWWIYSA-N 1 2 341.408 0.836 20 30 ECEDLO CN(C)C(=O)C[NH+]1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000590950998 438969368 /nfs/dbraw/zinc/96/93/68/438969368.db2.gz QMXYUAGFEDCRAV-UHFFFAOYSA-N 1 2 331.376 0.672 20 30 ECEDLO Cc1nn(C)c(N2CCN(c3nc[nH+]c4c3OCCN4)CC2)c1C#N ZINC000591157646 438986019 /nfs/dbraw/zinc/98/60/19/438986019.db2.gz HGHBFMMMJCVNIW-UHFFFAOYSA-N 1 2 340.391 0.521 20 30 ECEDLO Cc1nn(C)c(N2CCN(c3[nH+]cnc4c3OCCN4)CC2)c1C#N ZINC000591157646 438986024 /nfs/dbraw/zinc/98/60/24/438986024.db2.gz HGHBFMMMJCVNIW-UHFFFAOYSA-N 1 2 340.391 0.521 20 30 ECEDLO N#Cc1ccc(CCNC(=O)N(CCO)CC[NH+]2CCOCC2)cc1 ZINC000596673991 438987960 /nfs/dbraw/zinc/98/79/60/438987960.db2.gz VKOQPEMBTSUINW-UHFFFAOYSA-N 1 2 346.431 0.437 20 30 ECEDLO C[C@@]1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCNC1=O ZINC000602034006 439001842 /nfs/dbraw/zinc/00/18/42/439001842.db2.gz RBYXKGIDPHKEPG-GOSISDBHSA-N 1 2 326.400 0.729 20 30 ECEDLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1cccc(CC#N)c1 ZINC000591333839 439006319 /nfs/dbraw/zinc/00/63/19/439006319.db2.gz YSQVKKUGZVAZAX-KBPBESRZSA-N 1 2 337.445 0.828 20 30 ECEDLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1cccc(CC#N)c1 ZINC000591333839 439006323 /nfs/dbraw/zinc/00/63/23/439006323.db2.gz YSQVKKUGZVAZAX-KBPBESRZSA-N 1 2 337.445 0.828 20 30 ECEDLO CCc1c[nH]c(CC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)[nH+]1 ZINC000602150693 439023360 /nfs/dbraw/zinc/02/33/60/439023360.db2.gz ZZVAWQPKKFYWTH-UHFFFAOYSA-N 1 2 341.419 0.777 20 30 ECEDLO N#Cc1c(F)cc(C(=O)N2CC[NH+](CCn3cncn3)CC2)cc1F ZINC000597284980 439071321 /nfs/dbraw/zinc/07/13/21/439071321.db2.gz JZGKNVURPUDMFD-UHFFFAOYSA-N 1 2 346.341 0.886 20 30 ECEDLO CN1CC[NH+](C[C@@H]2CN(c3ncc4c(c3C#N)CCC4)CCO2)CC1 ZINC000591820473 439084098 /nfs/dbraw/zinc/08/40/98/439084098.db2.gz WRFQZSLRBAAXPD-MRXNPFEDSA-N 1 2 341.459 0.895 20 30 ECEDLO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149345 439167049 /nfs/dbraw/zinc/16/70/49/439167049.db2.gz NHMMHTDQIVYLED-SJCJKPOMSA-N 1 2 339.403 1.031 20 30 ECEDLO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149345 439167053 /nfs/dbraw/zinc/16/70/53/439167053.db2.gz NHMMHTDQIVYLED-SJCJKPOMSA-N 1 2 339.403 1.031 20 30 ECEDLO COCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592149084 439167655 /nfs/dbraw/zinc/16/76/55/439167655.db2.gz IOKRLFKQLTXFHH-GOSISDBHSA-N 1 2 347.415 0.678 20 30 ECEDLO COCCOc1cccc(CNC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592149084 439167660 /nfs/dbraw/zinc/16/76/60/439167660.db2.gz IOKRLFKQLTXFHH-GOSISDBHSA-N 1 2 347.415 0.678 20 30 ECEDLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000567739434 439171466 /nfs/dbraw/zinc/17/14/66/439171466.db2.gz OEAZFRRJVSXDBB-ZDUSSCGKSA-N 1 2 338.389 0.980 20 30 ECEDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000567739434 439171470 /nfs/dbraw/zinc/17/14/70/439171470.db2.gz OEAZFRRJVSXDBB-ZDUSSCGKSA-N 1 2 338.389 0.980 20 30 ECEDLO Cn1ncc2c1nc(N)[nH+]c2N1CCN(c2cc(C#N)ccn2)CC1 ZINC000522013359 439140276 /nfs/dbraw/zinc/14/02/76/439140276.db2.gz GJFZIXTYSVHLQU-UHFFFAOYSA-N 1 2 335.375 0.539 20 30 ECEDLO COC(=O)[C@]1(C)C[C@@H](OC)C[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000602930134 439161700 /nfs/dbraw/zinc/16/17/00/439161700.db2.gz HRNBQSTYFRVTDE-LESCRADOSA-N 1 2 348.399 0.950 20 30 ECEDLO COC(=O)[C@]1(C)C[C@@H](OC)C[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000602930134 439161704 /nfs/dbraw/zinc/16/17/04/439161704.db2.gz HRNBQSTYFRVTDE-LESCRADOSA-N 1 2 348.399 0.950 20 30 ECEDLO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1nnnn1-c1ccccc1 ZINC000525885568 439224215 /nfs/dbraw/zinc/22/42/15/439224215.db2.gz BLEFKGCNMTZEFS-GFCCVEGCSA-N 1 2 325.376 0.875 20 30 ECEDLO N#Cc1ccsc1N1CC[C@H](n2cc([C@@H]3COCC[NH2+]3)nn2)C1=O ZINC000603191110 439206674 /nfs/dbraw/zinc/20/66/74/439206674.db2.gz AJLOTMFNQZQYDZ-STQMWFEESA-N 1 2 344.400 0.850 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N2CCC(C(=O)OC)CC2)nn1 ZINC000603200744 439208212 /nfs/dbraw/zinc/20/82/12/439208212.db2.gz VFXFNNRKBMKKCP-CYBMUJFWSA-N 1 2 347.419 0.364 20 30 ECEDLO C#CC[NH+]1CCN(CN2C(=O)N[C@](C)(c3ccccc3F)C2=O)CC1 ZINC000490589291 439275092 /nfs/dbraw/zinc/27/50/92/439275092.db2.gz CKSTWWAMIKCKHR-GOSISDBHSA-N 1 2 344.390 0.801 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CO[C@H]2CCC[C@H](C)C2)CC1 ZINC000490650405 439283416 /nfs/dbraw/zinc/28/34/16/439283416.db2.gz MQTKARVBDSORHO-IRXDYDNUSA-N 1 2 349.475 0.865 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CO[C@H]2CCC[C@H](C)C2)CC1 ZINC000490650405 439283422 /nfs/dbraw/zinc/28/34/22/439283422.db2.gz MQTKARVBDSORHO-IRXDYDNUSA-N 1 2 349.475 0.865 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000490950833 439317718 /nfs/dbraw/zinc/31/77/18/439317718.db2.gz TUPRXCGCJODZRG-UHFFFAOYSA-N 1 2 328.372 0.735 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCc3ncc([N+](=O)[O-])cc3C2)CC1 ZINC000490949233 439318444 /nfs/dbraw/zinc/31/84/44/439318444.db2.gz IWVZTIJVUUCXKO-UHFFFAOYSA-N 1 2 343.387 0.125 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(C3CC3)CCOCC2)CC1 ZINC000490985189 439319512 /nfs/dbraw/zinc/31/95/12/439319512.db2.gz KGLRTNJVPNFYOO-UHFFFAOYSA-N 1 2 347.459 0.477 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2(C3CC3)CCOCC2)CC1 ZINC000490985189 439319516 /nfs/dbraw/zinc/31/95/16/439319516.db2.gz KGLRTNJVPNFYOO-UHFFFAOYSA-N 1 2 347.459 0.477 20 30 ECEDLO N#CC1(C[C@@H](O)C[NH+]2CC(S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000528456603 439338907 /nfs/dbraw/zinc/33/89/07/439338907.db2.gz NSDUHHCMNRZPGV-CYBMUJFWSA-N 1 2 327.450 0.587 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(O)ccc2OC)CC1 ZINC000491043599 439326250 /nfs/dbraw/zinc/32/62/50/439326250.db2.gz DAWKATSACLGSGV-UHFFFAOYSA-N 1 2 345.399 0.298 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(O)ccc2OC)CC1 ZINC000491043599 439326253 /nfs/dbraw/zinc/32/62/53/439326253.db2.gz DAWKATSACLGSGV-UHFFFAOYSA-N 1 2 345.399 0.298 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](CCS(=O)(=O)c2ccccc2)CC1 ZINC000491102540 439332289 /nfs/dbraw/zinc/33/22/89/439332289.db2.gz MSJPMAUHNRCUHM-UHFFFAOYSA-N 1 2 334.441 0.922 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ncc(C#N)cc2C)CC1 ZINC000491121220 439335456 /nfs/dbraw/zinc/33/54/56/439335456.db2.gz PEQUTYBDYJZAOD-UHFFFAOYSA-N 1 2 339.399 0.159 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ncc(C#N)cc2C)CC1 ZINC000491121220 439335460 /nfs/dbraw/zinc/33/54/60/439335460.db2.gz PEQUTYBDYJZAOD-UHFFFAOYSA-N 1 2 339.399 0.159 20 30 ECEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000528452159 439336450 /nfs/dbraw/zinc/33/64/50/439336450.db2.gz LSYDSUJWBCQZNF-IBGZPJMESA-N 1 2 340.379 0.777 20 30 ECEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000528452159 439336452 /nfs/dbraw/zinc/33/64/52/439336452.db2.gz LSYDSUJWBCQZNF-IBGZPJMESA-N 1 2 340.379 0.777 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CON=C(N)c2ccc(F)c(F)c2)CC1 ZINC000490799564 439300689 /nfs/dbraw/zinc/30/06/89/439300689.db2.gz HZJLDBDQCGVZBV-UHFFFAOYSA-N 1 2 336.342 0.589 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(C)[C@H](C(=O)OC)c2ccccc2)CC1 ZINC000490841117 439301771 /nfs/dbraw/zinc/30/17/71/439301771.db2.gz RXARGQJKVGTBBX-SFHVURJKSA-N 1 2 343.427 0.610 20 30 ECEDLO CNC(=O)NC[C@H]1C[N@H+](CCCOc2cccc(C#N)c2)CCO1 ZINC000528621299 439351929 /nfs/dbraw/zinc/35/19/29/439351929.db2.gz GDJFSCNQIXGHNQ-INIZCTEOSA-N 1 2 332.404 0.957 20 30 ECEDLO CNC(=O)NC[C@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CCO1 ZINC000528621299 439351933 /nfs/dbraw/zinc/35/19/33/439351933.db2.gz GDJFSCNQIXGHNQ-INIZCTEOSA-N 1 2 332.404 0.957 20 30 ECEDLO C#C[C@H]1COCCN1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000491496324 439394157 /nfs/dbraw/zinc/39/41/57/439394157.db2.gz PONSRSDMIVICIU-INIZCTEOSA-N 1 2 333.457 0.726 20 30 ECEDLO N#Cc1sccc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000593551629 439401920 /nfs/dbraw/zinc/40/19/20/439401920.db2.gz BTYQDYUNVWBMED-LBPRGKRZSA-N 1 2 341.458 0.963 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000491619758 439413182 /nfs/dbraw/zinc/41/31/82/439413182.db2.gz FJBSBSJWPAKYBG-UHFFFAOYSA-N 1 2 334.351 0.601 20 30 ECEDLO C#CCNC(=O)CC[NH+]1CC(NS(=O)(=O)c2ccc(C)cc2)C1 ZINC000491616119 439413475 /nfs/dbraw/zinc/41/34/75/439413475.db2.gz AFBONHFAUOGAHV-UHFFFAOYSA-N 1 2 335.429 0.097 20 30 ECEDLO C#C[C@@H](CCC)NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000491630852 439415665 /nfs/dbraw/zinc/41/56/65/439415665.db2.gz OHEQMABTJBFRHD-AWEZNQCLSA-N 1 2 347.419 0.072 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2ccnc2[C@@H](O)c2cccs2)CC1 ZINC000491671122 439423655 /nfs/dbraw/zinc/42/36/55/439423655.db2.gz WIGJCMMCLCPTRR-INIZCTEOSA-N 1 2 344.440 0.804 20 30 ECEDLO C#CC(C)(C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000491694620 439429224 /nfs/dbraw/zinc/42/92/24/439429224.db2.gz VYWWKOPXEIPXGC-UHFFFAOYSA-N 1 2 348.450 0.215 20 30 ECEDLO N#Cc1ccc(CS(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c(F)c1 ZINC000593651335 439435128 /nfs/dbraw/zinc/43/51/28/439435128.db2.gz HPCKXYZHWIIHOR-CQSZACIVSA-N 1 2 339.392 0.278 20 30 ECEDLO N#Cc1ccc(CS(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c(F)c1 ZINC000593651335 439435135 /nfs/dbraw/zinc/43/51/35/439435135.db2.gz HPCKXYZHWIIHOR-CQSZACIVSA-N 1 2 339.392 0.278 20 30 ECEDLO CCOC[C@@H](C(=O)OC)[N@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599334926 439436396 /nfs/dbraw/zinc/43/63/96/439436396.db2.gz KQEFMINZEZTYTR-KGLIPLIRSA-N 1 2 328.409 0.568 20 30 ECEDLO CCOC[C@@H](C(=O)OC)[N@@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599334926 439436401 /nfs/dbraw/zinc/43/64/01/439436401.db2.gz KQEFMINZEZTYTR-KGLIPLIRSA-N 1 2 328.409 0.568 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+](CCO)Cc2cccc(F)c2)CC1 ZINC000491733908 439437913 /nfs/dbraw/zinc/43/79/13/439437913.db2.gz NGHYYVZGWPJJRM-UHFFFAOYSA-N 1 2 333.407 0.397 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+](CCO)Cc2cccc(F)c2)CC1 ZINC000491733908 439437917 /nfs/dbraw/zinc/43/79/17/439437917.db2.gz NGHYYVZGWPJJRM-UHFFFAOYSA-N 1 2 333.407 0.397 20 30 ECEDLO C[C@@H](NC[C@H](O)C[N@H+](C)CCC#N)c1nnnn1-c1ccccc1 ZINC000571040093 439469574 /nfs/dbraw/zinc/46/95/74/439469574.db2.gz RSZKWEGGWQRWDG-HIFRSBDPSA-N 1 2 329.408 0.519 20 30 ECEDLO C[C@@H](NC[C@H](O)C[N@@H+](C)CCC#N)c1nnnn1-c1ccccc1 ZINC000571040093 439469580 /nfs/dbraw/zinc/46/95/80/439469580.db2.gz RSZKWEGGWQRWDG-HIFRSBDPSA-N 1 2 329.408 0.519 20 30 ECEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000599450538 439474516 /nfs/dbraw/zinc/47/45/16/439474516.db2.gz JGEUMMQSMYPYIB-VQNPYFGKSA-N 1 2 328.393 0.491 20 30 ECEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000599450538 439474519 /nfs/dbraw/zinc/47/45/19/439474519.db2.gz JGEUMMQSMYPYIB-VQNPYFGKSA-N 1 2 328.393 0.491 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000533086996 439522573 /nfs/dbraw/zinc/52/25/73/439522573.db2.gz SPIBEIWLNRGFAL-SCRDCRAPSA-N 1 2 330.454 0.053 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000533086996 439522578 /nfs/dbraw/zinc/52/25/78/439522578.db2.gz SPIBEIWLNRGFAL-SCRDCRAPSA-N 1 2 330.454 0.053 20 30 ECEDLO C[C@H](O)CNc1cc(N2CCN(c3cnccc3C#N)CC2)nc[nH+]1 ZINC000583981407 439535028 /nfs/dbraw/zinc/53/50/28/439535028.db2.gz CAVJHDTYSVIMBA-ZDUSSCGKSA-N 1 2 339.403 0.863 20 30 ECEDLO C[C@H](O)CNc1cc(N2CCN(c3cnccc3C#N)CC2)[nH+]cn1 ZINC000583981407 439535032 /nfs/dbraw/zinc/53/50/32/439535032.db2.gz CAVJHDTYSVIMBA-ZDUSSCGKSA-N 1 2 339.403 0.863 20 30 ECEDLO Cc1cc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)ncc1C#N ZINC000594286742 439535955 /nfs/dbraw/zinc/53/59/55/439535955.db2.gz UHHLKBWWYNEMIK-GFCCVEGCSA-N 1 2 331.376 0.037 20 30 ECEDLO COC(=O)[C@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000609137229 439552530 /nfs/dbraw/zinc/55/25/30/439552530.db2.gz XBCKQEQXHPQTPL-GOEBONIOSA-N 1 2 334.372 0.366 20 30 ECEDLO COC(=O)[C@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000609137229 439552533 /nfs/dbraw/zinc/55/25/33/439552533.db2.gz XBCKQEQXHPQTPL-GOEBONIOSA-N 1 2 334.372 0.366 20 30 ECEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000599774152 439556993 /nfs/dbraw/zinc/55/69/93/439556993.db2.gz QINHSOFFYWYDKE-CQSZACIVSA-N 1 2 341.375 0.591 20 30 ECEDLO C[N@H+]1CCOC[C@H]1CNC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000599774152 439556999 /nfs/dbraw/zinc/55/69/99/439556999.db2.gz QINHSOFFYWYDKE-CQSZACIVSA-N 1 2 341.375 0.591 20 30 ECEDLO CCN(C(=O)C[NH+]1CCC(CC#N)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000542880184 439560376 /nfs/dbraw/zinc/56/03/76/439560376.db2.gz ZFUOWLJMBNLPQG-AWEZNQCLSA-N 1 2 327.450 0.648 20 30 ECEDLO CCNC(=O)C[N@@H+]1CCCN(c2ccc(C(=O)OC)nc2C#N)CC1 ZINC000571536652 439512276 /nfs/dbraw/zinc/51/22/76/439512276.db2.gz OBOBMGLFQCVPES-UHFFFAOYSA-N 1 2 345.403 0.388 20 30 ECEDLO CCNC(=O)C[N@H+]1CCCN(c2ccc(C(=O)OC)nc2C#N)CC1 ZINC000571536652 439512280 /nfs/dbraw/zinc/51/22/80/439512280.db2.gz OBOBMGLFQCVPES-UHFFFAOYSA-N 1 2 345.403 0.388 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471277 439566750 /nfs/dbraw/zinc/56/67/50/439566750.db2.gz AEZBKVVGNOFQMU-RQJABVFESA-N 1 2 332.470 0.410 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471277 439566753 /nfs/dbraw/zinc/56/67/53/439566753.db2.gz AEZBKVVGNOFQMU-RQJABVFESA-N 1 2 332.470 0.410 20 30 ECEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000546604570 439570347 /nfs/dbraw/zinc/57/03/47/439570347.db2.gz ZAQGZKJLOWQEMJ-CYBMUJFWSA-N 1 2 326.360 0.717 20 30 ECEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000546604570 439570353 /nfs/dbraw/zinc/57/03/53/439570353.db2.gz ZAQGZKJLOWQEMJ-CYBMUJFWSA-N 1 2 326.360 0.717 20 30 ECEDLO CC(C)[C@H](C#N)N1CC[NH+](CCn2nc3ccccn3c2=O)CC1 ZINC000609486456 439572281 /nfs/dbraw/zinc/57/22/81/439572281.db2.gz KOBKHRJWWUJKMN-HNNXBMFYSA-N 1 2 328.420 0.662 20 30 ECEDLO COCC[N@@H+](Cc1cnc2c(C#N)cnn2c1)C[C@@H](O)C(F)(F)F ZINC000594609163 439582676 /nfs/dbraw/zinc/58/26/76/439582676.db2.gz RDHGBDMNWSSXGD-GFCCVEGCSA-N 1 2 343.309 0.973 20 30 ECEDLO COCC[N@H+](Cc1cnc2c(C#N)cnn2c1)C[C@@H](O)C(F)(F)F ZINC000594609163 439582680 /nfs/dbraw/zinc/58/26/80/439582680.db2.gz RDHGBDMNWSSXGD-GFCCVEGCSA-N 1 2 343.309 0.973 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000492882769 439584636 /nfs/dbraw/zinc/58/46/36/439584636.db2.gz OGSDGPAPFUWQCJ-GFCCVEGCSA-N 1 2 340.424 0.939 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000492882769 439584639 /nfs/dbraw/zinc/58/46/39/439584639.db2.gz OGSDGPAPFUWQCJ-GFCCVEGCSA-N 1 2 340.424 0.939 20 30 ECEDLO C[N@H+](CCO)Cc1cn(-c2cc(C(F)(F)F)cnc2C#N)nn1 ZINC000594650950 439587258 /nfs/dbraw/zinc/58/72/58/439587258.db2.gz WIUYGGVJUQNHAN-UHFFFAOYSA-N 1 2 326.282 0.977 20 30 ECEDLO C[N@@H+](CCO)Cc1cn(-c2cc(C(F)(F)F)cnc2C#N)nn1 ZINC000594650950 439587260 /nfs/dbraw/zinc/58/72/60/439587260.db2.gz WIUYGGVJUQNHAN-UHFFFAOYSA-N 1 2 326.282 0.977 20 30 ECEDLO N#Cc1sccc1N1CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000594684531 439590638 /nfs/dbraw/zinc/59/06/38/439590638.db2.gz FHWPXKFTFGXVRS-UHFFFAOYSA-N 1 2 349.460 0.784 20 30 ECEDLO N#Cc1cnn2cc(C[N@@H+](CCC(F)(F)F)C[C@H](O)CO)cnc12 ZINC000572602897 439594372 /nfs/dbraw/zinc/59/43/72/439594372.db2.gz CJVINPPZULZUMO-LBPRGKRZSA-N 1 2 343.309 0.709 20 30 ECEDLO N#Cc1cnn2cc(C[N@H+](CCC(F)(F)F)C[C@H](O)CO)cnc12 ZINC000572602897 439594374 /nfs/dbraw/zinc/59/43/74/439594374.db2.gz CJVINPPZULZUMO-LBPRGKRZSA-N 1 2 343.309 0.709 20 30 ECEDLO COC(=O)C[C@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000610605410 439631233 /nfs/dbraw/zinc/63/12/33/439631233.db2.gz JPEVMPILDFTZIH-RDJZCZTQSA-N 1 2 348.399 0.756 20 30 ECEDLO COC(=O)C[C@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000610605410 439631235 /nfs/dbraw/zinc/63/12/35/439631235.db2.gz JPEVMPILDFTZIH-RDJZCZTQSA-N 1 2 348.399 0.756 20 30 ECEDLO C[C@@]1(C#N)CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000595156623 439663527 /nfs/dbraw/zinc/66/35/27/439663527.db2.gz NZQLELKOXWEJCL-YOEHRIQHSA-N 1 2 334.420 0.072 20 30 ECEDLO Cc1cc(NC(=O)C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ncc1C#N ZINC000573814614 439668769 /nfs/dbraw/zinc/66/87/69/439668769.db2.gz SUZNJPWEMWMGQA-OKILXGFUSA-N 1 2 343.387 0.180 20 30 ECEDLO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ncc1C#N ZINC000573814614 439668771 /nfs/dbraw/zinc/66/87/71/439668771.db2.gz SUZNJPWEMWMGQA-OKILXGFUSA-N 1 2 343.387 0.180 20 30 ECEDLO C[C@@H](NC(=O)N(CCO)CC[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000611210905 439681485 /nfs/dbraw/zinc/68/14/85/439681485.db2.gz LDWSENMAQINLOT-OAHLLOKOSA-N 1 2 346.431 0.955 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000613751963 439763246 /nfs/dbraw/zinc/76/32/46/439763246.db2.gz SQYGTQBXNYVUCO-HOTGVXAUSA-N 1 2 345.447 0.980 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000613751963 439763247 /nfs/dbraw/zinc/76/32/47/439763247.db2.gz SQYGTQBXNYVUCO-HOTGVXAUSA-N 1 2 345.447 0.980 20 30 ECEDLO Cc1nnc(CN2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)[nH]1 ZINC000615793512 439806766 /nfs/dbraw/zinc/80/67/66/439806766.db2.gz NEKKZUAUCZBYHE-GFCCVEGCSA-N 1 2 331.424 0.182 20 30 ECEDLO C=CC[C@H]1CCCN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000658812146 440130923 /nfs/dbraw/zinc/13/09/23/440130923.db2.gz XICBDOYJDCOHHZ-JKSUJKDBSA-N 1 2 335.448 0.734 20 30 ECEDLO C=CCCn1cc(CN2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)nn1 ZINC000653477044 440191816 /nfs/dbraw/zinc/19/18/16/440191816.db2.gz AYHGOHCZLQGKNG-AWEZNQCLSA-N 1 2 332.452 0.639 20 30 ECEDLO C=CC[C@@H](CO)CNC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000637529754 440294061 /nfs/dbraw/zinc/29/40/61/440294061.db2.gz DUKDFUVYXAYFRQ-IAGOWNOFSA-N 1 2 348.447 0.766 20 30 ECEDLO C=CC[C@@H](CO)CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000637529754 440294066 /nfs/dbraw/zinc/29/40/66/440294066.db2.gz DUKDFUVYXAYFRQ-IAGOWNOFSA-N 1 2 348.447 0.766 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000634508221 440662501 /nfs/dbraw/zinc/66/25/01/440662501.db2.gz PGVLVQYHVJWISP-QGZVFWFLSA-N 1 2 345.447 0.634 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000651138033 440755276 /nfs/dbraw/zinc/75/52/76/440755276.db2.gz WFEMNJCWMZYBPD-CVEARBPZSA-N 1 2 341.452 0.710 20 30 ECEDLO CC#CC[C@H](CO)NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000645883920 440941357 /nfs/dbraw/zinc/94/13/57/440941357.db2.gz OGRXAGJPMPCRLW-OAHLLOKOSA-N 1 2 333.413 0.984 20 30 ECEDLO C=C(C)C[C@@H]1NC(=O)N([C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1=O ZINC000630976505 440993764 /nfs/dbraw/zinc/99/37/64/440993764.db2.gz QTUMWKFBCUWRGM-STQMWFEESA-N 1 2 345.403 0.798 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)NCc2cccc(COC)c2)nn1 ZINC000640984569 441042619 /nfs/dbraw/zinc/04/26/19/441042619.db2.gz CRDQOURTLXMZMT-UHFFFAOYSA-N 1 2 341.415 0.854 20 30 ECEDLO CS(=O)(=O)C1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000324292570 320720758 /nfs/dbraw/zinc/72/07/58/320720758.db2.gz JKWXIZXAHXGKEA-AWEZNQCLSA-N 1 2 338.429 0.807 20 30 ECEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)c1C#N ZINC000535204970 322078109 /nfs/dbraw/zinc/07/81/09/322078109.db2.gz HCDQNHMGUFZDBO-LBPRGKRZSA-N 1 2 337.401 0.598 20 30 ECEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H]2CS(N)(=O)=O)c1C#N ZINC000535204970 322078110 /nfs/dbraw/zinc/07/81/10/322078110.db2.gz HCDQNHMGUFZDBO-LBPRGKRZSA-N 1 2 337.401 0.598 20 30 ECEDLO Cc1nsc(N2CCN(C(=O)[C@H](C)[NH+]3CCOCC3)CC2)c1C#N ZINC000571579066 322726880 /nfs/dbraw/zinc/72/68/80/322726880.db2.gz AJTCSOBIXXTSLP-ZDUSSCGKSA-N 1 2 349.460 0.693 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2scnc2CC)CC1 ZINC000159101305 526999319 /nfs/dbraw/zinc/99/93/19/526999319.db2.gz GHUKHIXRBPWOJS-UHFFFAOYSA-N 1 2 334.445 0.603 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2scnc2CC)CC1 ZINC000159101305 526999320 /nfs/dbraw/zinc/99/93/20/526999320.db2.gz GHUKHIXRBPWOJS-UHFFFAOYSA-N 1 2 334.445 0.603 20 30 ECEDLO Cc1noc([C@@H](C)N2CCN(C(=O)NCc3[nH+]ccn3C)CC2)n1 ZINC000329495620 546025869 /nfs/dbraw/zinc/02/58/69/546025869.db2.gz XCVRJJSIOWIIKQ-LLVKDONJSA-N 1 2 333.396 0.904 20 30 ECEDLO Cn1c[nH+]cc1CNC(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000329700840 546031568 /nfs/dbraw/zinc/03/15/68/546031568.db2.gz HBTVPXSCCBFREJ-LBPRGKRZSA-N 1 2 341.437 0.334 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cccc(CC#N)c2)[C@H](C)C1 ZINC000619497901 546334868 /nfs/dbraw/zinc/33/48/68/546334868.db2.gz MSDIWGDPJQILTJ-ZIAGYGMSSA-N 1 2 337.445 0.828 20 30 ECEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2cccc(CC#N)c2)[C@H](C)C1 ZINC000619497901 546334870 /nfs/dbraw/zinc/33/48/70/546334870.db2.gz MSDIWGDPJQILTJ-ZIAGYGMSSA-N 1 2 337.445 0.828 20 30 ECEDLO CS(=O)(=O)[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000619723578 546364253 /nfs/dbraw/zinc/36/42/53/546364253.db2.gz OLAKOORYAFQMHJ-ZBFHGGJFSA-N 1 2 338.429 0.611 20 30 ECEDLO CS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000619723578 546364256 /nfs/dbraw/zinc/36/42/56/546364256.db2.gz OLAKOORYAFQMHJ-ZBFHGGJFSA-N 1 2 338.429 0.611 20 30 ECEDLO C=CC[C@H](CO)NC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000624928405 546992593 /nfs/dbraw/zinc/99/25/93/546992593.db2.gz BLFYUELKCHTXBT-CVEARBPZSA-N 1 2 334.420 0.519 20 30 ECEDLO C=CC[C@H](CO)NC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000624928405 546992598 /nfs/dbraw/zinc/99/25/98/546992598.db2.gz BLFYUELKCHTXBT-CVEARBPZSA-N 1 2 334.420 0.519 20 30 ECEDLO C=CC[C@@H]1CC[N@@H+](CC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000625702501 547205325 /nfs/dbraw/zinc/20/53/25/547205325.db2.gz GQCCACVEOUFJLB-HUUCEWRRSA-N 1 2 344.477 0.547 20 30 ECEDLO C=CC[C@@H]1CC[N@H+](CC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000625702501 547205330 /nfs/dbraw/zinc/20/53/30/547205330.db2.gz GQCCACVEOUFJLB-HUUCEWRRSA-N 1 2 344.477 0.547 20 30 ECEDLO C=C[C@](C)(O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000667266542 547492360 /nfs/dbraw/zinc/49/23/60/547492360.db2.gz BIOZOLJYKNJXMB-SFHVURJKSA-N 1 2 334.416 0.951 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000668367992 547636671 /nfs/dbraw/zinc/63/66/71/547636671.db2.gz OUEWSJBXUXJQTP-INIZCTEOSA-N 1 2 333.436 0.535 20 30 ECEDLO Cc1cccn2c(C=NNC(=S)NCC[NH+]3CCOCC3)cnc12 ZINC000755497901 579434275 /nfs/dbraw/zinc/43/42/75/579434275.db2.gz CMCJYZACLXEADV-UHFFFAOYSA-N 1 2 346.460 0.773 20 30 ECEDLO Cn1c[nH+]cc1CN=Nc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000755753858 579438459 /nfs/dbraw/zinc/43/84/59/579438459.db2.gz KBYCQSNBHFXMBP-UHFFFAOYSA-N 1 2 349.416 0.887 20 30 ECEDLO Cn1c[nH+]cc1C=NNc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000755753858 579438460 /nfs/dbraw/zinc/43/84/60/579438460.db2.gz KBYCQSNBHFXMBP-UHFFFAOYSA-N 1 2 349.416 0.887 20 30 ECEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000755955608 579442637 /nfs/dbraw/zinc/44/26/37/579442637.db2.gz HPGOUYDDSPTOLC-VOIUYBSRSA-N 1 2 349.456 0.768 20 30 ECEDLO COC(=O)c1cn(C2C[NH+](C[C@@H](O)c3ccc(C#N)cc3)C2)nn1 ZINC000759069375 579485811 /nfs/dbraw/zinc/48/58/11/579485811.db2.gz IRBLODBKCCEXDV-OAHLLOKOSA-N 1 2 327.344 0.527 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)NCCNc2ncccc2C#N)CCO1 ZINC000726254637 578139818 /nfs/dbraw/zinc/13/98/18/578139818.db2.gz RMRPLHXDJHZGCL-CYBMUJFWSA-N 1 2 332.408 0.385 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCCNc2ncccc2C#N)CCO1 ZINC000726254637 578139819 /nfs/dbraw/zinc/13/98/19/578139819.db2.gz RMRPLHXDJHZGCL-CYBMUJFWSA-N 1 2 332.408 0.385 20 30 ECEDLO C#Cc1cccc(NC(=O)CNC(=O)NCC[N@H+]2CCOC[C@H]2C)c1 ZINC000729597251 578297316 /nfs/dbraw/zinc/29/73/16/578297316.db2.gz UCCGBHINYQKRFS-CQSZACIVSA-N 1 2 344.415 0.626 20 30 ECEDLO C#Cc1cccc(NC(=O)CNC(=O)NCC[N@@H+]2CCOC[C@H]2C)c1 ZINC000729597251 578297317 /nfs/dbraw/zinc/29/73/17/578297317.db2.gz UCCGBHINYQKRFS-CQSZACIVSA-N 1 2 344.415 0.626 20 30 ECEDLO CS(=O)(=O)CCN[NH+]=Cc1c(Cl)nc(N)nc1N1CCCC1 ZINC000733206152 578334029 /nfs/dbraw/zinc/33/40/29/578334029.db2.gz YQDBYNIOURNWFA-UHFFFAOYSA-N 1 2 346.844 0.281 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCCn1ccccc1=O ZINC000735039077 578375099 /nfs/dbraw/zinc/37/50/99/578375099.db2.gz AVRDWGZSMNSFDY-UHFFFAOYSA-N 1 2 346.431 0.703 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000735479622 578385793 /nfs/dbraw/zinc/38/57/93/578385793.db2.gz SMAWNLKUFMAQRC-HNNXBMFYSA-N 1 2 335.429 0.772 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000735479622 578385794 /nfs/dbraw/zinc/38/57/94/578385794.db2.gz SMAWNLKUFMAQRC-HNNXBMFYSA-N 1 2 335.429 0.772 20 30 ECEDLO Cc1nc(C)c(C=NNC(=S)NCC[NH+]2CCOCC2)s1 ZINC000736429275 578428764 /nfs/dbraw/zinc/42/87/64/578428764.db2.gz UARKLPDQSRFJKF-UHFFFAOYSA-N 1 2 327.479 0.890 20 30 ECEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000799160475 578660077 /nfs/dbraw/zinc/66/00/77/578660077.db2.gz SWVCNCNNUPVIDN-LSDHHAIUSA-N 1 2 330.363 0.813 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000800005621 578672784 /nfs/dbraw/zinc/67/27/84/578672784.db2.gz CMRJVUYPTHQSRX-UHFFFAOYSA-N 1 2 334.405 0.837 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000780598988 578696883 /nfs/dbraw/zinc/69/68/83/578696883.db2.gz POFRDVPOOQOVAF-CYBMUJFWSA-N 1 2 347.481 0.074 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000780598988 578696884 /nfs/dbraw/zinc/69/68/84/578696884.db2.gz POFRDVPOOQOVAF-CYBMUJFWSA-N 1 2 347.481 0.074 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000786005395 578778495 /nfs/dbraw/zinc/77/84/95/578778495.db2.gz WGAWVWGWWNAEOJ-UHFFFAOYSA-N 1 2 343.387 0.545 20 30 ECEDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CC[C@](F)(C#N)C2)CC1 ZINC000786122633 578780926 /nfs/dbraw/zinc/78/09/26/578780926.db2.gz XUHNNWYSJVTDPM-AWEZNQCLSA-N 1 2 346.428 0.143 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)NCCc1cn2ccccc2[nH+]1)[C@H]1CCCO1 ZINC000786145404 578781376 /nfs/dbraw/zinc/78/13/76/578781376.db2.gz SPJNRZCNTBBKJC-LSDHHAIUSA-N 1 2 340.383 0.290 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)OC)CC1 ZINC000772480678 579207606 /nfs/dbraw/zinc/20/76/06/579207606.db2.gz YUPQKHMVVHQVIM-LSDHHAIUSA-N 1 2 342.461 0.689 20 30 ECEDLO C#C[C@@H](NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)[C@@H]1CCCO1 ZINC000773554958 579229935 /nfs/dbraw/zinc/22/99/35/579229935.db2.gz DKAWZNLDYCIVFP-CVEARBPZSA-N 1 2 348.447 0.117 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc3cccnn32)CC1 ZINC000777857910 579303660 /nfs/dbraw/zinc/30/36/60/579303660.db2.gz LGPZFKLOCBYBBF-UHFFFAOYSA-N 1 2 339.399 0.232 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc3cccnn32)CC1 ZINC000777857910 579303661 /nfs/dbraw/zinc/30/36/61/579303661.db2.gz LGPZFKLOCBYBBF-UHFFFAOYSA-N 1 2 339.399 0.232 20 30 ECEDLO CN(C)c1ccc(CNC(=O)C[NH+]2CCN(CCC#N)CC2)cc1 ZINC000760944513 579517909 /nfs/dbraw/zinc/51/79/09/579517909.db2.gz RHFZHAQDHURJBQ-UHFFFAOYSA-N 1 2 329.448 0.900 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000761024229 579519451 /nfs/dbraw/zinc/51/94/51/579519451.db2.gz LWPKSCHIPQJJSB-UHFFFAOYSA-N 1 2 343.493 0.811 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000761023639 579519558 /nfs/dbraw/zinc/51/95/58/579519558.db2.gz JLZQMZMNIDOXLF-CQSZACIVSA-N 1 2 337.445 0.841 20 30 ECEDLO CCOC(=O)[C@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000741256827 579769654 /nfs/dbraw/zinc/76/96/54/579769654.db2.gz FWMLTKBSJSLAQZ-NVXWUHKLSA-N 1 2 348.399 0.756 20 30 ECEDLO CCOC(=O)[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000741256827 579769656 /nfs/dbraw/zinc/76/96/56/579769656.db2.gz FWMLTKBSJSLAQZ-NVXWUHKLSA-N 1 2 348.399 0.756 20 30 ECEDLO C[S@](=O)CC[NH+]1CCN(C(=O)COc2cccc(C#N)c2)CC1 ZINC000741297153 579771252 /nfs/dbraw/zinc/77/12/52/579771252.db2.gz KXZFDLXHZRKPNA-QHCPKHFHSA-N 1 2 335.429 0.460 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2cccc(N3CCCC3=O)c2)CC1 ZINC000744422999 579809388 /nfs/dbraw/zinc/80/93/88/579809388.db2.gz OYTQAXUUDFFKRR-UHFFFAOYSA-N 1 2 341.411 0.970 20 30 ECEDLO CCC(=NNC(=S)NCC[NH+]1CCOCC1)C1CCOCC1 ZINC000745192924 579820139 /nfs/dbraw/zinc/82/01/39/579820139.db2.gz WVNBTXWPFYPLPH-UHFFFAOYSA-N 1 2 328.482 0.975 20 30 ECEDLO C[S@@](=O)CC[NH+]1CCN(CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000746467538 579839859 /nfs/dbraw/zinc/83/98/59/579839859.db2.gz LFHQYMAWKMUSJW-XMMPIXPASA-N 1 2 348.472 0.171 20 30 ECEDLO CCc1ccccc1N1CC(=O)C(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)=N1 ZINC000834480846 588902032 /nfs/dbraw/zinc/90/20/32/588902032.db2.gz XAQSHEQHXRBIBF-QWHCGFSZSA-N 1 2 325.372 0.982 20 30 ECEDLO COc1cc(OS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)ccc1C#N ZINC000867196421 588937021 /nfs/dbraw/zinc/93/70/21/588937021.db2.gz YDNRMOPDUSNWQU-ZDUSSCGKSA-N 1 2 326.374 0.606 20 30 ECEDLO COc1cc(OS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC000867196421 588937022 /nfs/dbraw/zinc/93/70/22/588937022.db2.gz YDNRMOPDUSNWQU-ZDUSSCGKSA-N 1 2 326.374 0.606 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cnn(C)c2C2CC2)C1 ZINC000891603925 586181000 /nfs/dbraw/zinc/18/10/00/586181000.db2.gz STYGKAVQQRFESZ-CYBMUJFWSA-N 1 2 329.404 0.450 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cnn(C)c2C2CC2)C1 ZINC000891603925 586181001 /nfs/dbraw/zinc/18/10/01/586181001.db2.gz STYGKAVQQRFESZ-CYBMUJFWSA-N 1 2 329.404 0.450 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC)c(C#N)c2)C1 ZINC000891604629 586181142 /nfs/dbraw/zinc/18/11/42/586181142.db2.gz ZVFXTXPKXYFEAJ-HNNXBMFYSA-N 1 2 340.383 0.719 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC)c(C#N)c2)C1 ZINC000891604629 586181144 /nfs/dbraw/zinc/18/11/44/586181144.db2.gz ZVFXTXPKXYFEAJ-HNNXBMFYSA-N 1 2 340.383 0.719 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(NC(C)=O)cc2)C1 ZINC000891606877 586181846 /nfs/dbraw/zinc/18/18/46/586181846.db2.gz PSWXVIGMUMILRA-MRXNPFEDSA-N 1 2 342.399 0.797 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(NC(C)=O)cc2)C1 ZINC000891606877 586181849 /nfs/dbraw/zinc/18/18/49/586181849.db2.gz PSWXVIGMUMILRA-MRXNPFEDSA-N 1 2 342.399 0.797 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(F)ncc2C)CC1 ZINC000896181682 586224950 /nfs/dbraw/zinc/22/49/50/586224950.db2.gz NAUJGEGIZUESCS-UHFFFAOYSA-N 1 2 332.379 0.426 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(F)ncc2C)CC1 ZINC000896181682 586224952 /nfs/dbraw/zinc/22/49/52/586224952.db2.gz NAUJGEGIZUESCS-UHFFFAOYSA-N 1 2 332.379 0.426 20 30 ECEDLO C[C@@H]1CN(C(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000022811919 586303764 /nfs/dbraw/zinc/30/37/64/586303764.db2.gz GQYHBGVSEOBGSE-MRXNPFEDSA-N 1 2 342.443 0.923 20 30 ECEDLO C[C@@H]1CN(C(=O)C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000022811919 586303768 /nfs/dbraw/zinc/30/37/68/586303768.db2.gz GQYHBGVSEOBGSE-MRXNPFEDSA-N 1 2 342.443 0.923 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn(C)nc1I ZINC000894376509 586389537 /nfs/dbraw/zinc/38/95/37/586389537.db2.gz RUVICWRISGFZSM-UHFFFAOYSA-N 1 2 334.161 0.417 20 30 ECEDLO C#CC[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000843248145 589055852 /nfs/dbraw/zinc/05/58/52/589055852.db2.gz KOTRVXDILCNXCD-KRWDZBQOSA-N 1 2 349.475 0.818 20 30 ECEDLO C/C(=C\C(=O)N1CCN([C@H](C#N)C(C)C)CC1)C[NH+]1CCOCC1 ZINC000900481419 586635124 /nfs/dbraw/zinc/63/51/24/586635124.db2.gz YLFHRGICAODKNN-NWNNTGRJSA-N 1 2 334.464 0.957 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2c3ccccc3CCS2(=O)=O)CC1 ZINC000902841123 586760147 /nfs/dbraw/zinc/76/01/47/586760147.db2.gz OREWRRHYZQHZJZ-UHFFFAOYSA-N 1 2 347.440 0.156 20 30 ECEDLO CN(CCC#N)c1ccc(C[N@@H+]2CCN(CC(N)=O)C(=O)C2)cc1 ZINC000839170913 586840333 /nfs/dbraw/zinc/84/03/33/586840333.db2.gz VFZJKKPKNHASGD-UHFFFAOYSA-N 1 2 329.404 0.166 20 30 ECEDLO CN(CCC#N)c1ccc(C[N@H+]2CCN(CC(N)=O)C(=O)C2)cc1 ZINC000839170913 586840334 /nfs/dbraw/zinc/84/03/34/586840334.db2.gz VFZJKKPKNHASGD-UHFFFAOYSA-N 1 2 329.404 0.166 20 30 ECEDLO C#CCCCS(=O)(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000805062194 586874686 /nfs/dbraw/zinc/87/46/86/586874686.db2.gz SDHFYPDZBYHUPU-ZDUSSCGKSA-N 1 2 338.433 0.244 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(c2ccccc2OCCOC)CC1 ZINC000768551811 586906027 /nfs/dbraw/zinc/90/60/27/586906027.db2.gz MIHHYUNHJCFQDS-UHFFFAOYSA-N 1 2 331.416 0.583 20 30 ECEDLO C=CC[C@H]([NH2+]CC1(N2CCOCC2)CC(OCC)C1)C(=O)OC ZINC000905762002 586913853 /nfs/dbraw/zinc/91/38/53/586913853.db2.gz FSYIJKZOBMFKGY-CKDBGZEDSA-N 1 2 326.437 0.964 20 30 ECEDLO CC[N@H+](CCOCCO)Cc1nc2ccccc2c(=O)n1CC#N ZINC000800427833 586966498 /nfs/dbraw/zinc/96/64/98/586966498.db2.gz FQHIIOSFIYGPBX-UHFFFAOYSA-N 1 2 330.388 0.751 20 30 ECEDLO CC[N@@H+](CCOCCO)Cc1nc2ccccc2c(=O)n1CC#N ZINC000800427833 586966500 /nfs/dbraw/zinc/96/65/00/586966500.db2.gz FQHIIOSFIYGPBX-UHFFFAOYSA-N 1 2 330.388 0.751 20 30 ECEDLO COCCCNC(=O)[C@H](C)N1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000801918813 587005819 /nfs/dbraw/zinc/00/58/19/587005819.db2.gz ZPKZLCGZIBHRSL-CABCVRRESA-N 1 2 326.441 0.074 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(CCO[C@H](C)C#N)CC1 ZINC000801918813 587005821 /nfs/dbraw/zinc/00/58/21/587005821.db2.gz ZPKZLCGZIBHRSL-CABCVRRESA-N 1 2 326.441 0.074 20 30 ECEDLO C=CCN1CCN(C[N@H+]2CCC[C@H](n3cc(C(=O)OC)nn3)C2)C1=O ZINC000840047036 587085722 /nfs/dbraw/zinc/08/57/22/587085722.db2.gz FANLGSFZUPBXLL-ZDUSSCGKSA-N 1 2 348.407 0.583 20 30 ECEDLO C=CCN1CCN(C[N@@H+]2CCC[C@H](n3cc(C(=O)OC)nn3)C2)C1=O ZINC000840047036 587085723 /nfs/dbraw/zinc/08/57/23/587085723.db2.gz FANLGSFZUPBXLL-ZDUSSCGKSA-N 1 2 348.407 0.583 20 30 ECEDLO C=CCN1CCN(C[N@H+]2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)C1=O ZINC000840047034 587085838 /nfs/dbraw/zinc/08/58/38/587085838.db2.gz FANLGSFZUPBXLL-CYBMUJFWSA-N 1 2 348.407 0.583 20 30 ECEDLO C=CCN1CCN(C[N@@H+]2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)C1=O ZINC000840047034 587085839 /nfs/dbraw/zinc/08/58/39/587085839.db2.gz FANLGSFZUPBXLL-CYBMUJFWSA-N 1 2 348.407 0.583 20 30 ECEDLO C=CCN1CCN(C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)C1=O ZINC000840077896 587109791 /nfs/dbraw/zinc/10/97/91/587109791.db2.gz JRMXHPJJMZVUMA-ZDUSSCGKSA-N 1 2 330.454 0.223 20 30 ECEDLO C=CCN1CCN(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)C1=O ZINC000840077896 587109792 /nfs/dbraw/zinc/10/97/92/587109792.db2.gz JRMXHPJJMZVUMA-ZDUSSCGKSA-N 1 2 330.454 0.223 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)[C@H]1CCCO1 ZINC000807676457 587134704 /nfs/dbraw/zinc/13/47/04/587134704.db2.gz NOLDLRRGSBZUCQ-GVDBMIGSSA-N 1 2 341.411 0.586 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)[C@H]1CCCO1 ZINC000807676457 587134706 /nfs/dbraw/zinc/13/47/06/587134706.db2.gz NOLDLRRGSBZUCQ-GVDBMIGSSA-N 1 2 341.411 0.586 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CCCO1 ZINC000807695159 587135034 /nfs/dbraw/zinc/13/50/34/587135034.db2.gz RCVXCXXCVFTOQQ-QLFBSQMISA-N 1 2 342.399 0.074 20 30 ECEDLO CCOC(=O)CC[C@@]1(C)NC(=O)N(C[NH+]2CCC(C#N)CC2)C1=O ZINC000808150194 587145618 /nfs/dbraw/zinc/14/56/18/587145618.db2.gz SNSPULSSKXJPQI-MRXNPFEDSA-N 1 2 336.392 0.833 20 30 ECEDLO N#Cc1ccc(F)c(CNC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000809460665 587178215 /nfs/dbraw/zinc/17/82/15/587178215.db2.gz NZRHMNNFIUGMAV-ZDUSSCGKSA-N 1 2 341.346 0.641 20 30 ECEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)n1ncc(C#N)c1N ZINC000810203630 587191465 /nfs/dbraw/zinc/19/14/65/587191465.db2.gz PVKQPPBNNRCDRX-GFCCVEGCSA-N 1 2 329.364 0.474 20 30 ECEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)n1ncc(C#N)c1N ZINC000810203630 587191467 /nfs/dbraw/zinc/19/14/67/587191467.db2.gz PVKQPPBNNRCDRX-GFCCVEGCSA-N 1 2 329.364 0.474 20 30 ECEDLO Cn1c(N)nc(Cl)c1C=[NH+]Nc1ccc(S(N)(=O)=O)cn1 ZINC000814799151 587279292 /nfs/dbraw/zinc/27/92/92/587279292.db2.gz YCTNNWBSSOCGBV-UHFFFAOYSA-N 1 2 329.773 0.144 20 30 ECEDLO Cc1cc(C#N)cnc1C(=O)O[C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000816073842 587305765 /nfs/dbraw/zinc/30/57/65/587305765.db2.gz HUHKXWRUERWMOR-ZDUSSCGKSA-N 1 2 346.387 0.255 20 30 ECEDLO C#CC[C@@H](CO)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000816671468 587318584 /nfs/dbraw/zinc/31/85/84/587318584.db2.gz YHJVEBNEYSKDIW-HOCLYGCPSA-N 1 2 333.407 0.837 20 30 ECEDLO C#Cc1cccc(CNC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000817820449 587387245 /nfs/dbraw/zinc/38/72/45/587387245.db2.gz WKBUBXDKKTUVFY-CABCVRRESA-N 1 2 343.427 0.510 20 30 ECEDLO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(F)(F)C(F)F ZINC000818594659 587439504 /nfs/dbraw/zinc/43/95/04/587439504.db2.gz LCFHOGUWUIPPIL-LURJTMIESA-N 1 2 325.228 0.839 20 30 ECEDLO C#C[C@H](NC(=O)N(CCO)CC[NH+]1CCOCC1)c1ccccc1 ZINC000820595236 587543697 /nfs/dbraw/zinc/54/36/97/587543697.db2.gz POKZMDRZHLGBLK-KRWDZBQOSA-N 1 2 331.416 0.697 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000822791960 587680263 /nfs/dbraw/zinc/68/02/63/587680263.db2.gz YGLNMVZRNPTQEH-NSHDSACASA-N 1 2 340.276 0.656 20 30 ECEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1CC(=O)N(C)C1=O ZINC000823914814 587844094 /nfs/dbraw/zinc/84/40/94/587844094.db2.gz NYMJGCIMUIBGNS-UHFFFAOYSA-N 1 2 341.375 0.706 20 30 ECEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1CC(=O)N(C)C1=O ZINC000823914814 587844095 /nfs/dbraw/zinc/84/40/95/587844095.db2.gz NYMJGCIMUIBGNS-UHFFFAOYSA-N 1 2 341.375 0.706 20 30 ECEDLO Cc1cc[nH+]c(NCCNC(=O)C2N=CC=CC2=O)c1-c1nn[nH]n1 ZINC000826313543 588023351 /nfs/dbraw/zinc/02/33/51/588023351.db2.gz KUQQCIBRHLFNJP-QINSGFPZSA-N 1 2 340.347 0.508 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(COC)cs2)CC1 ZINC000826550976 588069617 /nfs/dbraw/zinc/06/96/17/588069617.db2.gz XXWXYYBVLABXAS-UHFFFAOYSA-N 1 2 349.456 0.792 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(COC)cs2)CC1 ZINC000826550976 588069619 /nfs/dbraw/zinc/06/96/19/588069619.db2.gz XXWXYYBVLABXAS-UHFFFAOYSA-N 1 2 349.456 0.792 20 30 ECEDLO C#C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000848287638 589286907 /nfs/dbraw/zinc/28/69/07/589286907.db2.gz SVPXIWZXYYOZPN-CVEARBPZSA-N 1 2 333.432 0.039 20 30 ECEDLO N#CCCNC(=O)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000849194512 589322582 /nfs/dbraw/zinc/32/25/82/589322582.db2.gz PZXJDFXNKOEPJW-UHFFFAOYSA-N 1 2 343.299 0.967 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@H](C)O[C@@H](CC(F)(F)F)C2)CC1 ZINC000852741973 589509247 /nfs/dbraw/zinc/50/92/47/589509247.db2.gz MXOZWSXNUKUEFI-KBPBESRZSA-N 1 2 347.381 0.806 20 30 ECEDLO C=CCNC(=S)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000853028937 589529748 /nfs/dbraw/zinc/52/97/48/589529748.db2.gz PANFJVJNJJZWJJ-QGZVFWFLSA-N 1 2 335.473 0.900 20 30 ECEDLO C=CCNC(=S)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000853028937 589529750 /nfs/dbraw/zinc/52/97/50/589529750.db2.gz PANFJVJNJJZWJJ-QGZVFWFLSA-N 1 2 335.473 0.900 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)NCCNc2ncccc2C#N)[C@@H](C)CO1 ZINC000853482809 589543682 /nfs/dbraw/zinc/54/36/82/589543682.db2.gz ZIMLSLFAHGVEFQ-UONOGXRCSA-N 1 2 346.435 0.774 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCCNc2ncccc2C#N)[C@@H](C)CO1 ZINC000853482809 589543683 /nfs/dbraw/zinc/54/36/83/589543683.db2.gz ZIMLSLFAHGVEFQ-UONOGXRCSA-N 1 2 346.435 0.774 20 30 ECEDLO C#CCC[N@@H+](CCOC)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O ZINC000853619653 589552389 /nfs/dbraw/zinc/55/23/89/589552389.db2.gz GWIHPXXFUSYVDD-UHFFFAOYSA-N 1 2 343.383 0.907 20 30 ECEDLO C#CCC[N@H+](CCOC)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O ZINC000853619653 589552390 /nfs/dbraw/zinc/55/23/90/589552390.db2.gz GWIHPXXFUSYVDD-UHFFFAOYSA-N 1 2 343.383 0.907 20 30 ECEDLO NC(=NOC[C@@H]1COCCO1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000853657827 589553914 /nfs/dbraw/zinc/55/39/14/589553914.db2.gz JXIMOEHSUJZQOM-INIZCTEOSA-N 1 2 335.404 0.571 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2cccc(CN3CCOCC3)c2)CC1 ZINC000111661441 589561800 /nfs/dbraw/zinc/56/18/00/589561800.db2.gz PTUNYGXNJKMUJW-UHFFFAOYSA-N 1 2 327.428 0.910 20 30 ECEDLO C#CCN1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000111661441 589561802 /nfs/dbraw/zinc/56/18/02/589561802.db2.gz PTUNYGXNJKMUJW-UHFFFAOYSA-N 1 2 327.428 0.910 20 30 ECEDLO C#CC[C@H](CO)NC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000854541730 589591924 /nfs/dbraw/zinc/59/19/24/589591924.db2.gz KJKVQBQGFQBDGA-CKEIUWERSA-N 1 2 346.431 0.610 20 30 ECEDLO N#Cc1ccc([C@H](O)C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000854726490 589602865 /nfs/dbraw/zinc/60/28/65/589602865.db2.gz DQGWVWOCLLHABB-SJORKVTESA-N 1 2 329.400 0.915 20 30 ECEDLO N#Cc1ccnc(C(=O)N2Cc3ccc[nH+]c3N3C[C@H](O)C[C@H]3C2)c1 ZINC000856614983 589668943 /nfs/dbraw/zinc/66/89/43/589668943.db2.gz YFMVUNRIFBJUEX-LSDHHAIUSA-N 1 2 335.367 0.944 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(NS(C)(=O)=O)nc1 ZINC000860529392 589780105 /nfs/dbraw/zinc/78/01/05/589780105.db2.gz GHNCKUANUUAYDN-ZDUSSCGKSA-N 1 2 337.401 0.708 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(NS(C)(=O)=O)nc1 ZINC000860529392 589780108 /nfs/dbraw/zinc/78/01/08/589780108.db2.gz GHNCKUANUUAYDN-ZDUSSCGKSA-N 1 2 337.401 0.708 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000860656445 589791161 /nfs/dbraw/zinc/79/11/61/589791161.db2.gz LQEVBBPLHYTFAT-OAHLLOKOSA-N 1 2 349.435 0.765 20 30 ECEDLO CC(C)(C(=O)N1CCC[N@H+](CC(N)=O)CC1)c1ccc(C#N)cc1 ZINC000859190975 589805716 /nfs/dbraw/zinc/80/57/16/589805716.db2.gz CAAWUFCUFBEYQJ-UHFFFAOYSA-N 1 2 328.416 0.855 20 30 ECEDLO CC(C)(C(=O)N1CCC[N@@H+](CC(N)=O)CC1)c1ccc(C#N)cc1 ZINC000859190975 589805718 /nfs/dbraw/zinc/80/57/18/589805718.db2.gz CAAWUFCUFBEYQJ-UHFFFAOYSA-N 1 2 328.416 0.855 20 30 ECEDLO CCS(=O)(=O)CC[N@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000859210305 589808186 /nfs/dbraw/zinc/80/81/86/589808186.db2.gz UYHOZDVZUSKPHI-AWEZNQCLSA-N 1 2 326.418 0.664 20 30 ECEDLO CCS(=O)(=O)CC[N@@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000859210305 589808188 /nfs/dbraw/zinc/80/81/88/589808188.db2.gz UYHOZDVZUSKPHI-AWEZNQCLSA-N 1 2 326.418 0.664 20 30 ECEDLO C#C[C@H](CCC)NC(=O)[C@@H]1OCC(=O)N(CC)[C@H]1c1[nH+]ccn1C ZINC000861298361 589837572 /nfs/dbraw/zinc/83/75/72/589837572.db2.gz AMLFTRCFABZSRO-BPLDGKMQSA-N 1 2 332.404 0.627 20 30 ECEDLO C#CC[C@H](CO)NC(=O)c1ccc(NCC[NH+]2CCOCC2)c(F)c1 ZINC000868472927 589908381 /nfs/dbraw/zinc/90/83/81/589908381.db2.gz JPWNRMPCJFEKOY-OAHLLOKOSA-N 1 2 349.406 0.684 20 30 ECEDLO C#CC[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000862565400 589943510 /nfs/dbraw/zinc/94/35/10/589943510.db2.gz RWKDIMFRTRGHTI-HOTGVXAUSA-N 1 2 333.432 0.039 20 30 ECEDLO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000869129443 589948822 /nfs/dbraw/zinc/94/88/22/589948822.db2.gz NYFNJPPNOUZRLE-ZVVFDCPKSA-N 1 2 329.400 0.938 20 30 ECEDLO C=C(C)[C@H](CC(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1)OCC ZINC000870065995 589995995 /nfs/dbraw/zinc/99/59/95/589995995.db2.gz XZQFCHDIDSVWRK-HOTGVXAUSA-N 1 2 326.437 0.917 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(COCCOC)n2CC(C)C)CC1 ZINC000871130730 590050332 /nfs/dbraw/zinc/05/03/32/590050332.db2.gz DAJCSQHCZLJAAM-UHFFFAOYSA-N 1 2 335.452 0.852 20 30 ECEDLO Cc1cccc(C#N)c1S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000872498542 590121712 /nfs/dbraw/zinc/12/17/12/590121712.db2.gz XGFBHFLJAKJHFC-ZIAGYGMSSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cccc(C#N)c1S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000872498542 590121713 /nfs/dbraw/zinc/12/17/13/590121713.db2.gz XGFBHFLJAKJHFC-ZIAGYGMSSA-N 1 2 337.445 0.942 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnn(CC3CC3)c2)CC1 ZINC000865177388 590129408 /nfs/dbraw/zinc/12/94/08/590129408.db2.gz APIFPFMQWRAHSH-UHFFFAOYSA-N 1 2 343.431 0.190 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnn(CC3CC3)c2)CC1 ZINC000865177388 590129410 /nfs/dbraw/zinc/12/94/10/590129410.db2.gz APIFPFMQWRAHSH-UHFFFAOYSA-N 1 2 343.431 0.190 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)CC1 ZINC000865178108 590129820 /nfs/dbraw/zinc/12/98/20/590129820.db2.gz RWUDRZAKYYPXBB-DLBZAZTESA-N 1 2 347.459 0.333 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)CC1 ZINC000865178108 590129821 /nfs/dbraw/zinc/12/98/21/590129821.db2.gz RWUDRZAKYYPXBB-DLBZAZTESA-N 1 2 347.459 0.333 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cncc(OC)c2C)CC1 ZINC000865177958 590129881 /nfs/dbraw/zinc/12/98/81/590129881.db2.gz OPDFAIWNEZTXAP-UHFFFAOYSA-N 1 2 344.415 0.296 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cncc(OC)c2C)CC1 ZINC000865177958 590129882 /nfs/dbraw/zinc/12/98/82/590129882.db2.gz OPDFAIWNEZTXAP-UHFFFAOYSA-N 1 2 344.415 0.296 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2(C(F)F)CCC2)CC1 ZINC000865177751 590129900 /nfs/dbraw/zinc/12/99/00/590129900.db2.gz JGIZLSBKCIQBSS-UHFFFAOYSA-N 1 2 327.375 0.706 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(C(F)F)CCC2)CC1 ZINC000865177751 590129901 /nfs/dbraw/zinc/12/99/01/590129901.db2.gz JGIZLSBKCIQBSS-UHFFFAOYSA-N 1 2 327.375 0.706 20 30 ECEDLO C#CC[C@@H]1NC(=O)N(C2CC[NH+](CC(=O)OC(C)(C)C)CC2)C1=O ZINC000865323730 590139549 /nfs/dbraw/zinc/13/95/49/590139549.db2.gz PHWNELNVSFHTTE-ZDUSSCGKSA-N 1 2 335.404 0.736 20 30 ECEDLO CN1C(=O)CS/C1=C\C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000874258364 590228820 /nfs/dbraw/zinc/22/88/20/590228820.db2.gz JXYVCUNJTFJSOO-PTNGSMBKSA-N 1 2 338.433 0.107 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000875042909 590264672 /nfs/dbraw/zinc/26/46/72/590264672.db2.gz BMZCQZUWGWSPBP-HNNXBMFYSA-N 1 2 344.415 0.453 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C)[C@@H]1CCCO1 ZINC000875322967 590292750 /nfs/dbraw/zinc/29/27/50/590292750.db2.gz DPUQOVYROOCHQJ-ULQDDVLXSA-N 1 2 341.411 0.586 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C)[C@@H]1CCCO1 ZINC000875322967 590292751 /nfs/dbraw/zinc/29/27/51/590292751.db2.gz DPUQOVYROOCHQJ-ULQDDVLXSA-N 1 2 341.411 0.586 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000875598700 590312690 /nfs/dbraw/zinc/31/26/90/590312690.db2.gz JPAKZQGHQWOEGK-AWEZNQCLSA-N 1 2 332.404 0.660 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000875598700 590312693 /nfs/dbraw/zinc/31/26/93/590312693.db2.gz JPAKZQGHQWOEGK-AWEZNQCLSA-N 1 2 332.404 0.660 20 30 ECEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879611025 590328558 /nfs/dbraw/zinc/32/85/58/590328558.db2.gz OBFIDUNSBVNLQA-BIMULSAOSA-N 1 2 335.429 0.863 20 30 ECEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879611025 590328559 /nfs/dbraw/zinc/32/85/59/590328559.db2.gz OBFIDUNSBVNLQA-BIMULSAOSA-N 1 2 335.429 0.863 20 30 ECEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)c1C ZINC000879612469 590328722 /nfs/dbraw/zinc/32/87/22/590328722.db2.gz BCVOXMPAIQBEAZ-SJORKVTESA-N 1 2 331.416 0.978 20 30 ECEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](O)[C@@H](O)C2)c1C ZINC000879612469 590328725 /nfs/dbraw/zinc/32/87/25/590328725.db2.gz BCVOXMPAIQBEAZ-SJORKVTESA-N 1 2 331.416 0.978 20 30 ECEDLO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000875864039 590341238 /nfs/dbraw/zinc/34/12/38/590341238.db2.gz NSKIUVSYMBCBDZ-CVEARBPZSA-N 1 2 332.404 0.564 20 30 ECEDLO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000875864039 590341240 /nfs/dbraw/zinc/34/12/40/590341240.db2.gz NSKIUVSYMBCBDZ-CVEARBPZSA-N 1 2 332.404 0.564 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1cccc(F)c1C#N)[C@H]1C[N@H+](C)CCO1 ZINC000128245464 590374955 /nfs/dbraw/zinc/37/49/55/590374955.db2.gz CTZFTVIIIWIKAK-ZWNOBZJWSA-N 1 2 327.381 0.695 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1cccc(F)c1C#N)[C@H]1C[N@@H+](C)CCO1 ZINC000128245464 590374958 /nfs/dbraw/zinc/37/49/58/590374958.db2.gz CTZFTVIIIWIKAK-ZWNOBZJWSA-N 1 2 327.381 0.695 20 30 ECEDLO COC(=O)[C@@]1(O)CC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000880564483 590406111 /nfs/dbraw/zinc/40/61/11/590406111.db2.gz NSQNLNWZWNIKNY-XHDPSFHLSA-N 1 2 335.385 0.335 20 30 ECEDLO COC(=O)[C@@]1(O)CC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000880564483 590406113 /nfs/dbraw/zinc/40/61/13/590406113.db2.gz NSQNLNWZWNIKNY-XHDPSFHLSA-N 1 2 335.385 0.335 20 30 ECEDLO C#CC1(F)CN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000881942162 590495689 /nfs/dbraw/zinc/49/56/89/590495689.db2.gz OGFMJLSCUOYEER-UHFFFAOYSA-N 1 2 344.390 0.694 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@@H](O)CC1(O)CCCCC1 ZINC000878159354 590502586 /nfs/dbraw/zinc/50/25/86/590502586.db2.gz JJGBBLIEOZGDDS-KRWDZBQOSA-N 1 2 339.480 0.980 20 30 ECEDLO N#CCC[N@H+](CCN1CCOCC1)C[C@@H](O)CC1(O)CCCCC1 ZINC000878159354 590502588 /nfs/dbraw/zinc/50/25/88/590502588.db2.gz JJGBBLIEOZGDDS-KRWDZBQOSA-N 1 2 339.480 0.980 20 30 ECEDLO N#CCC[N@@H+](CCN1CCOCC1)C[C@@H](O)CC1(O)CCCCC1 ZINC000878159354 590502590 /nfs/dbraw/zinc/50/25/90/590502590.db2.gz JJGBBLIEOZGDDS-KRWDZBQOSA-N 1 2 339.480 0.980 20 30 ECEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000878621696 590531728 /nfs/dbraw/zinc/53/17/28/590531728.db2.gz NGMNQUZYSSAISF-OCCSQVGLSA-N 1 2 330.450 0.898 20 30 ECEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000878621696 590531730 /nfs/dbraw/zinc/53/17/30/590531730.db2.gz NGMNQUZYSSAISF-OCCSQVGLSA-N 1 2 330.450 0.898 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnc3cc[nH]c3c2)CC1 ZINC000878737460 590539224 /nfs/dbraw/zinc/53/92/24/590539224.db2.gz MJEJQXFRBCNZNA-UHFFFAOYSA-N 1 2 339.399 0.460 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnc3cc[nH]c3c2)CC1 ZINC000878737460 590539226 /nfs/dbraw/zinc/53/92/26/590539226.db2.gz MJEJQXFRBCNZNA-UHFFFAOYSA-N 1 2 339.399 0.460 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)CCCC2CC2)CC1 ZINC000885018361 590670699 /nfs/dbraw/zinc/67/06/99/590670699.db2.gz MQAVWONASZYRTG-UHFFFAOYSA-N 1 2 341.477 0.264 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)CCCC2CC2)CC1 ZINC000885018361 590670702 /nfs/dbraw/zinc/67/07/02/590670702.db2.gz MQAVWONASZYRTG-UHFFFAOYSA-N 1 2 341.477 0.264 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc(Cl)cnc2N)C1 ZINC000885511597 590729755 /nfs/dbraw/zinc/72/97/55/590729755.db2.gz KMBVPGNYMMDTSV-LLVKDONJSA-N 1 2 328.825 0.693 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(Cl)cnc2N)C1 ZINC000885511597 590729761 /nfs/dbraw/zinc/72/97/61/590729761.db2.gz KMBVPGNYMMDTSV-LLVKDONJSA-N 1 2 328.825 0.693 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)C1 ZINC000885512882 590730136 /nfs/dbraw/zinc/73/01/36/590730136.db2.gz ZPOHDMANIPEMNV-HNNXBMFYSA-N 1 2 349.456 0.764 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)C1 ZINC000885512882 590730138 /nfs/dbraw/zinc/73/01/38/590730138.db2.gz ZPOHDMANIPEMNV-HNNXBMFYSA-N 1 2 349.456 0.764 20 30 ECEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](C[C@H](O)C2(O)CCOCC2)C1 ZINC000930923756 611483157 /nfs/dbraw/zinc/48/31/57/611483157.db2.gz OAVODUUOLJYJMC-IRXDYDNUSA-N 1 2 331.416 0.841 20 30 ECEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](C[C@H](O)C2(O)CCOCC2)C1 ZINC000930923756 611483158 /nfs/dbraw/zinc/48/31/58/611483158.db2.gz OAVODUUOLJYJMC-IRXDYDNUSA-N 1 2 331.416 0.841 20 30 ECEDLO CS(=O)(=O)N1CC(C[NH+]2CCN(c3ccsc3C#N)CC2)C1 ZINC000930928025 611483706 /nfs/dbraw/zinc/48/37/06/611483706.db2.gz AOQPJKUEOMGNBJ-UHFFFAOYSA-N 1 2 340.474 0.633 20 30 ECEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000925616840 611493069 /nfs/dbraw/zinc/49/30/69/611493069.db2.gz OJHFDCNRROFEMC-XHSDSOJGSA-N 1 2 337.468 0.725 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C[C@H]1C ZINC000947614807 611619714 /nfs/dbraw/zinc/61/97/14/611619714.db2.gz ABJFDZVCZJOELL-NXEZZACHSA-N 1 2 343.229 0.701 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C[C@H]1C ZINC000947614807 611619715 /nfs/dbraw/zinc/61/97/15/611619715.db2.gz ABJFDZVCZJOELL-NXEZZACHSA-N 1 2 343.229 0.701 20 30 ECEDLO COc1ncc(NC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)cc1C#N ZINC000932507326 611635711 /nfs/dbraw/zinc/63/57/11/611635711.db2.gz JWCCCCFJOWBAPI-LBPRGKRZSA-N 1 2 332.408 0.719 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@]3(C)CCN(C(C)=O)C3)CC2)C1 ZINC000949508775 608720620 /nfs/dbraw/zinc/72/06/20/608720620.db2.gz CEUXNRLUTLXIDN-SFHVURJKSA-N 1 2 347.459 0.572 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@]3(C)CCN(C(C)=O)C3)CC2)C1 ZINC000949508775 608720622 /nfs/dbraw/zinc/72/06/22/608720622.db2.gz CEUXNRLUTLXIDN-SFHVURJKSA-N 1 2 347.459 0.572 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1cnn(C)n1 ZINC000947204703 608917832 /nfs/dbraw/zinc/91/78/32/608917832.db2.gz GTHCEXJJVDPICR-AAEUAGOBSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1cnn(C)n1 ZINC000947204703 608917834 /nfs/dbraw/zinc/91/78/34/608917834.db2.gz GTHCEXJJVDPICR-AAEUAGOBSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1nncn1C ZINC000947216014 608937357 /nfs/dbraw/zinc/93/73/57/608937357.db2.gz CVBBZWMRLSIESS-RYUDHWBXSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1nncn1C ZINC000947216014 608937358 /nfs/dbraw/zinc/93/73/58/608937358.db2.gz CVBBZWMRLSIESS-RYUDHWBXSA-N 1 2 327.392 0.798 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000937198512 609035123 /nfs/dbraw/zinc/03/51/23/609035123.db2.gz ZSWYYFMXDBXGAD-AWEZNQCLSA-N 1 2 340.387 0.834 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000937797850 609090187 /nfs/dbraw/zinc/09/01/87/609090187.db2.gz CEKAHYOVRLMXIH-YPMHNXCESA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000937797850 609090190 /nfs/dbraw/zinc/09/01/90/609090190.db2.gz CEKAHYOVRLMXIH-YPMHNXCESA-N 1 2 340.387 0.819 20 30 ECEDLO CC(C)NC(=O)CON=C(N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181842528 609100545 /nfs/dbraw/zinc/10/05/45/609100545.db2.gz NJMRRHNCZZQAAD-OAHLLOKOSA-N 1 2 334.420 0.701 20 30 ECEDLO CC(C)NC(=O)CON=C(N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181842528 609100547 /nfs/dbraw/zinc/10/05/47/609100547.db2.gz NJMRRHNCZZQAAD-OAHLLOKOSA-N 1 2 334.420 0.701 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3nonc3C)[C@H](C)C2)nn1 ZINC000947793162 611693060 /nfs/dbraw/zinc/69/30/60/611693060.db2.gz ZQZCKARRBZALGF-DGCLKSJQSA-N 1 2 345.407 0.938 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3nonc3C)[C@H](C)C2)nn1 ZINC000947793162 611693062 /nfs/dbraw/zinc/69/30/62/611693062.db2.gz ZQZCKARRBZALGF-DGCLKSJQSA-N 1 2 345.407 0.938 20 30 ECEDLO C=CCC[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)[O-] ZINC000908990274 609673605 /nfs/dbraw/zinc/67/36/05/609673605.db2.gz VMLKLEKKZKRYDH-ZFWWWQNUSA-N 1 2 338.452 0.874 20 30 ECEDLO C=CCC[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)[O-] ZINC000908990274 609673606 /nfs/dbraw/zinc/67/36/06/609673606.db2.gz VMLKLEKKZKRYDH-ZFWWWQNUSA-N 1 2 338.452 0.874 20 30 ECEDLO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N ZINC000913507068 609682521 /nfs/dbraw/zinc/68/25/21/609682521.db2.gz KCDAUKDGYMRIAX-LBPRGKRZSA-N 1 2 332.408 0.929 20 30 ECEDLO CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N ZINC000913507068 609682523 /nfs/dbraw/zinc/68/25/23/609682523.db2.gz KCDAUKDGYMRIAX-LBPRGKRZSA-N 1 2 332.408 0.929 20 30 ECEDLO CCn1c(=O)c2ccc(C(=O)NCC#CC[NH+](C)C)cc2[nH]c1=S ZINC000913516393 609684861 /nfs/dbraw/zinc/68/48/61/609684861.db2.gz OBMVUYCYMMFIRZ-UHFFFAOYSA-N 1 2 344.440 1.000 20 30 ECEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NCC#CCO)C2)cc1 ZINC000923761689 609688289 /nfs/dbraw/zinc/68/82/89/609688289.db2.gz VRNPPBTZWHYKKO-QGZVFWFLSA-N 1 2 331.416 0.491 20 30 ECEDLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NCC#CCO)C2)cc1 ZINC000923761689 609688291 /nfs/dbraw/zinc/68/82/91/609688291.db2.gz VRNPPBTZWHYKKO-QGZVFWFLSA-N 1 2 331.416 0.491 20 30 ECEDLO C[N@@H+]1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C[C@H]1CO ZINC000913543856 609689479 /nfs/dbraw/zinc/68/94/79/609689479.db2.gz RBHQGVWFCJFXKJ-HNNXBMFYSA-N 1 2 325.372 0.492 20 30 ECEDLO C[N@H+]1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C[C@H]1CO ZINC000913543856 609689481 /nfs/dbraw/zinc/68/94/81/609689481.db2.gz RBHQGVWFCJFXKJ-HNNXBMFYSA-N 1 2 325.372 0.492 20 30 ECEDLO Cc1nc(C#N)c(N2CCC(C(=O)N3CC[N@@H+](C)[C@H](CO)C3)CC2)o1 ZINC000913544686 609689714 /nfs/dbraw/zinc/68/97/14/609689714.db2.gz KDKHROBASDLQHM-AWEZNQCLSA-N 1 2 347.419 0.206 20 30 ECEDLO Cc1nc(C#N)c(N2CCC(C(=O)N3CC[N@H+](C)[C@H](CO)C3)CC2)o1 ZINC000913544686 609689716 /nfs/dbraw/zinc/68/97/16/609689716.db2.gz KDKHROBASDLQHM-AWEZNQCLSA-N 1 2 347.419 0.206 20 30 ECEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913553416 609690449 /nfs/dbraw/zinc/69/04/49/609690449.db2.gz GBOWGYDXHUUGNS-CYBMUJFWSA-N 1 2 328.372 0.999 20 30 ECEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913553416 609690451 /nfs/dbraw/zinc/69/04/51/609690451.db2.gz GBOWGYDXHUUGNS-CYBMUJFWSA-N 1 2 328.372 0.999 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000921093879 609698128 /nfs/dbraw/zinc/69/81/28/609698128.db2.gz UCBOHHYEMWKKIB-JTQLQIEISA-N 1 2 331.467 0.631 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCC(S(=O)(=O)N2CCCCC2)CC1 ZINC000933093980 611707459 /nfs/dbraw/zinc/70/74/59/611707459.db2.gz PLLPNQDCILXANG-UHFFFAOYSA-N 1 2 329.466 0.569 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cn1 ZINC000921323470 609706882 /nfs/dbraw/zinc/70/68/82/609706882.db2.gz IKVBVXAAWMVIRA-KBPBESRZSA-N 1 2 338.458 0.811 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)cn1 ZINC000921323470 609706884 /nfs/dbraw/zinc/70/68/84/609706884.db2.gz IKVBVXAAWMVIRA-KBPBESRZSA-N 1 2 338.458 0.811 20 30 ECEDLO C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@H]1C ZINC000947823873 611708660 /nfs/dbraw/zinc/70/86/60/611708660.db2.gz BWUWULQTPUYLRH-CHWSQXEVSA-N 1 2 344.419 0.616 20 30 ECEDLO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@H]1C ZINC000947823873 611708662 /nfs/dbraw/zinc/70/86/62/611708662.db2.gz BWUWULQTPUYLRH-CHWSQXEVSA-N 1 2 344.419 0.616 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)nc1 ZINC000938372742 609759337 /nfs/dbraw/zinc/75/93/37/609759337.db2.gz PFFFQHUZDBLJBS-AWEZNQCLSA-N 1 2 337.383 0.370 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)cn1 ZINC000938375946 609761095 /nfs/dbraw/zinc/76/10/95/609761095.db2.gz XJOCVVUZOOKSAK-HNNXBMFYSA-N 1 2 337.383 0.750 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)CN2CCOCC2)c1 ZINC000076748853 611713951 /nfs/dbraw/zinc/71/39/51/611713951.db2.gz LVZGGEPDTYJBEJ-QGZVFWFLSA-N 1 2 331.416 0.231 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)CN2CCOCC2)c1 ZINC000076748853 611713954 /nfs/dbraw/zinc/71/39/54/611713954.db2.gz LVZGGEPDTYJBEJ-QGZVFWFLSA-N 1 2 331.416 0.231 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000938600193 609891148 /nfs/dbraw/zinc/89/11/48/609891148.db2.gz CLPVRTUYHWBGFB-VYDXJSESSA-N 1 2 346.431 0.924 20 30 ECEDLO N#Cc1sccc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000917066436 609960987 /nfs/dbraw/zinc/96/09/87/609960987.db2.gz KMBFUZUGMUAVQN-LLVKDONJSA-N 1 2 326.447 0.288 20 30 ECEDLO N#Cc1sccc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000917066436 609960988 /nfs/dbraw/zinc/96/09/88/609960988.db2.gz KMBFUZUGMUAVQN-LLVKDONJSA-N 1 2 326.447 0.288 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC000938981695 610060138 /nfs/dbraw/zinc/06/01/38/610060138.db2.gz HZBUDOOKEGWNQG-ZDUSSCGKSA-N 1 2 340.387 0.834 20 30 ECEDLO C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3csnn3)C2)nn1 ZINC000939291234 610148619 /nfs/dbraw/zinc/14/86/19/610148619.db2.gz CPMDKVRGCZTXEV-DGCLKSJQSA-N 1 2 347.448 0.956 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C2C[NH+](CC#CC)C2)CC1 ZINC000941412506 610302605 /nfs/dbraw/zinc/30/26/05/610302605.db2.gz IJRBGRDOAWFKHE-MSOLQXFVSA-N 1 2 331.460 0.819 20 30 ECEDLO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3c[nH]cc4ncnc3-4)CC2)C1 ZINC000941416584 610304615 /nfs/dbraw/zinc/30/46/15/610304615.db2.gz HAFXNEXPOAPVJS-UHFFFAOYSA-N 1 2 340.431 0.976 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccnn3C(C)C)CC2)C1 ZINC000941423313 610308279 /nfs/dbraw/zinc/30/82/79/610308279.db2.gz WURPATCVHBSQMS-UHFFFAOYSA-N 1 2 329.448 0.929 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3cnn4c3CCCC4)CC2)C1 ZINC000941444438 610309390 /nfs/dbraw/zinc/30/93/90/610309390.db2.gz MJYQIYZQTXMVCR-UHFFFAOYSA-N 1 2 341.459 0.224 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000941444877 610309528 /nfs/dbraw/zinc/30/95/28/610309528.db2.gz DNAMDTVYMWTRPS-KGLIPLIRSA-N 1 2 329.404 0.666 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(-n4cccn4)cc3)CC2)C1 ZINC000941438467 610315710 /nfs/dbraw/zinc/31/57/10/610315710.db2.gz XZIVLBXCMNGYLH-UHFFFAOYSA-N 1 2 349.438 0.948 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N2CCN(C3CN(CC#N)C3)CC2)c[nH+]1 ZINC000941451600 610326112 /nfs/dbraw/zinc/32/61/12/610326112.db2.gz LVILSHCBLLURNQ-UHFFFAOYSA-N 1 2 330.436 0.279 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ncnc4[nH]ccc43)CC2)C1 ZINC000941475265 610331741 /nfs/dbraw/zinc/33/17/41/610331741.db2.gz MMKMGXRHLGNZGX-UHFFFAOYSA-N 1 2 338.415 0.375 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3Cc4ccccc4O3)CC2)C1 ZINC000941480221 610335098 /nfs/dbraw/zinc/33/50/98/610335098.db2.gz IJQOFBZWLIMELU-SFHVURJKSA-N 1 2 325.412 0.452 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)C1 ZINC000941484438 610337471 /nfs/dbraw/zinc/33/74/71/610337471.db2.gz YWDCHFGMCOXNIM-UHFFFAOYSA-N 1 2 343.431 0.131 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ncc4ccccn43)CC2)C1 ZINC000941485495 610337792 /nfs/dbraw/zinc/33/77/92/610337792.db2.gz SHJMRNDXMOUKGU-UHFFFAOYSA-N 1 2 337.427 0.800 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c(C)ccnc3OCC)CC2)C1 ZINC000941502155 610345713 /nfs/dbraw/zinc/34/57/13/610345713.db2.gz LCEQKHOTTKLEKY-UHFFFAOYSA-N 1 2 342.443 0.864 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000941592226 610388369 /nfs/dbraw/zinc/38/83/69/610388369.db2.gz DPFFIIFDMRQENK-QWHCGFSZSA-N 1 2 338.371 0.758 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(-c4ccco4)n[nH]3)CC2)C1 ZINC000941580115 610392407 /nfs/dbraw/zinc/39/24/07/610392407.db2.gz PZKHDIONFNMQFP-UHFFFAOYSA-N 1 2 339.399 0.745 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(C)nc(C)n3)CC2)C1 ZINC000941605393 610404422 /nfs/dbraw/zinc/40/44/22/610404422.db2.gz FWZGJPTVANYDHT-UHFFFAOYSA-N 1 2 327.432 0.559 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)Cc3cnn(C)c3)CC2)C1 ZINC000941623081 610426995 /nfs/dbraw/zinc/42/69/95/610426995.db2.gz TXKGCWCLDYYPBE-OAHLLOKOSA-N 1 2 329.448 0.060 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnc(C)nc3C3CC3)CC2)C1 ZINC000941654252 610429430 /nfs/dbraw/zinc/42/94/30/610429430.db2.gz FLAFXOAOWODXLP-UHFFFAOYSA-N 1 2 339.443 0.738 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)C3CCOCC3)CC2)C1 ZINC000941690262 610465524 /nfs/dbraw/zinc/46/55/24/610465524.db2.gz HYWMIJBHLOGZAU-MRXNPFEDSA-N 1 2 333.476 0.901 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(OC(C)C)cn3)CC2)C1 ZINC000941691815 610466462 /nfs/dbraw/zinc/46/64/62/610466462.db2.gz DCDDCMXWEWUUFD-UHFFFAOYSA-N 1 2 342.443 0.944 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccc4[nH]c(=O)oc43)CC2)C1 ZINC000941693550 610467375 /nfs/dbraw/zinc/46/73/75/610467375.db2.gz WSEPFKLTHCBVAZ-UHFFFAOYSA-N 1 2 340.383 0.609 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1OC ZINC000942513370 610492510 /nfs/dbraw/zinc/49/25/10/610492510.db2.gz OGQWYHQUEMJXRC-FRRDWIJNSA-N 1 2 343.374 0.081 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1OC ZINC000942513370 610492512 /nfs/dbraw/zinc/49/25/12/610492512.db2.gz OGQWYHQUEMJXRC-FRRDWIJNSA-N 1 2 343.374 0.081 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC2CC2)C[C@H]1OC ZINC000942513416 610492521 /nfs/dbraw/zinc/49/25/21/610492521.db2.gz PXVGOJNTLAKUJI-OWCLPIDISA-N 1 2 333.432 0.226 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC2CC2)C[C@H]1OC ZINC000942513416 610492523 /nfs/dbraw/zinc/49/25/23/610492523.db2.gz PXVGOJNTLAKUJI-OWCLPIDISA-N 1 2 333.432 0.226 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)C=C)C[C@H]1OC ZINC000942516699 610495922 /nfs/dbraw/zinc/49/59/22/610495922.db2.gz QGAHJHAXZJWVFG-OWCLPIDISA-N 1 2 347.459 0.638 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)C=C)C[C@H]1OC ZINC000942516699 610495924 /nfs/dbraw/zinc/49/59/24/610495924.db2.gz QGAHJHAXZJWVFG-OWCLPIDISA-N 1 2 347.459 0.638 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C)C[C@H]1OC ZINC000942516881 610496390 /nfs/dbraw/zinc/49/63/90/610496390.db2.gz ZKXJWRZIZYASGG-ARKGTOAJSA-N 1 2 333.432 0.082 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C)C[C@H]1OC ZINC000942516881 610496392 /nfs/dbraw/zinc/49/63/92/610496392.db2.gz ZKXJWRZIZYASGG-ARKGTOAJSA-N 1 2 333.432 0.082 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@H](C)C1 ZINC000942562097 610518010 /nfs/dbraw/zinc/51/80/10/610518010.db2.gz HGBBLTCCJJQZMX-SCZZXKLOSA-N 1 2 343.229 0.559 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@H](C)C1 ZINC000942562097 610518008 /nfs/dbraw/zinc/51/80/08/610518008.db2.gz HGBBLTCCJJQZMX-SCZZXKLOSA-N 1 2 343.229 0.559 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@@H](C)C1 ZINC000942562099 610518148 /nfs/dbraw/zinc/51/81/48/610518148.db2.gz HGBBLTCCJJQZMX-WPRPVWTQSA-N 1 2 343.229 0.559 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)[C@@H](C)C1 ZINC000942562099 610518150 /nfs/dbraw/zinc/51/81/50/610518150.db2.gz HGBBLTCCJJQZMX-WPRPVWTQSA-N 1 2 343.229 0.559 20 30 ECEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000942752456 610599475 /nfs/dbraw/zinc/59/94/75/610599475.db2.gz QBXZZLLYRNLWTQ-CQSZACIVSA-N 1 2 340.387 0.915 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000941227802 610611040 /nfs/dbraw/zinc/61/10/40/610611040.db2.gz ACCXKEKLZCJRML-HUUCEWRRSA-N 1 2 326.400 0.576 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCN(C2C[NH+](CCO[C@H]3CC3(F)F)C2)CC1 ZINC000941348801 610684958 /nfs/dbraw/zinc/68/49/58/610684958.db2.gz QODQGVBQZGRMAH-JSGCOSHPSA-N 1 2 342.390 0.399 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ncnn3C)C[C@H]2C)nc1 ZINC000944191721 610775734 /nfs/dbraw/zinc/77/57/34/610775734.db2.gz FBTMPJOGTSZQGH-HIFRSBDPSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ncnn3C)C[C@H]2C)nc1 ZINC000944191721 610775736 /nfs/dbraw/zinc/77/57/36/610775736.db2.gz FBTMPJOGTSZQGH-HIFRSBDPSA-N 1 2 338.415 0.832 20 30 ECEDLO C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)[C@H](OC)C2)C1 ZINC000944240947 610805593 /nfs/dbraw/zinc/80/55/93/610805593.db2.gz UTMXIDJLFKGNKX-HUUCEWRRSA-N 1 2 346.431 0.959 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000944415376 610858149 /nfs/dbraw/zinc/85/81/49/610858149.db2.gz XKGZFIBTASAATL-CYBMUJFWSA-N 1 2 329.404 0.953 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC2(CN(C(=O)[C@H](C)C#N)C2)CC1 ZINC000944993622 610872921 /nfs/dbraw/zinc/87/29/21/610872921.db2.gz UVMWWMQYLAJMNG-GFCCVEGCSA-N 1 2 329.404 0.871 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)C#CC2CC2)C1 ZINC000945991757 611184284 /nfs/dbraw/zinc/18/42/84/611184284.db2.gz JEJFIDPCPZAGHG-DOTOQJQBSA-N 1 2 340.427 0.825 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CCC(NC(=O)Cc3c[nH]c[nH+]3)CC2)c1 ZINC000946094571 611228028 /nfs/dbraw/zinc/22/80/28/611228028.db2.gz ZMYQHAJVWHIMIH-UHFFFAOYSA-N 1 2 326.360 0.573 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cn(CCOC)c(C)cc2=O)C1 ZINC000923559495 611261125 /nfs/dbraw/zinc/26/11/25/611261125.db2.gz GNXAAZPTHDJLDU-OAHLLOKOSA-N 1 2 331.416 0.631 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(CCOC)c(C)cc2=O)C1 ZINC000923559495 611261126 /nfs/dbraw/zinc/26/11/26/611261126.db2.gz GNXAAZPTHDJLDU-OAHLLOKOSA-N 1 2 331.416 0.631 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)C1 ZINC000923565741 611264204 /nfs/dbraw/zinc/26/42/04/611264204.db2.gz KWRXUEAKINLQQC-NEPJUHHUSA-N 1 2 333.354 0.903 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)C1 ZINC000923565741 611264205 /nfs/dbraw/zinc/26/42/05/611264205.db2.gz KWRXUEAKINLQQC-NEPJUHHUSA-N 1 2 333.354 0.903 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC000950112679 611869870 /nfs/dbraw/zinc/86/98/70/611869870.db2.gz MPUWPZHLJNICPF-HIFRSBDPSA-N 1 2 329.404 0.228 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC000950112679 611869871 /nfs/dbraw/zinc/86/98/71/611869871.db2.gz MPUWPZHLJNICPF-HIFRSBDPSA-N 1 2 329.404 0.228 20 30 ECEDLO O=C(C#CC1CC1)N1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000950764972 611896408 /nfs/dbraw/zinc/89/64/08/611896408.db2.gz YNAOFRCYFLNRJZ-JKSUJKDBSA-N 1 2 340.427 0.966 20 30 ECEDLO C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCc3[nH]nnc3C1)CCO2 ZINC000949226831 611908853 /nfs/dbraw/zinc/90/88/53/611908853.db2.gz NFWKESJCHLOTEX-CQSZACIVSA-N 1 2 343.431 0.236 20 30 ECEDLO C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCc3nn[nH]c3C1)CCO2 ZINC000949226831 611908854 /nfs/dbraw/zinc/90/88/54/611908854.db2.gz NFWKESJCHLOTEX-CQSZACIVSA-N 1 2 343.431 0.236 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CC1)C[N@@H+]([C@H]1CCN(C)C1=O)CCO2 ZINC000949320710 611938254 /nfs/dbraw/zinc/93/82/54/611938254.db2.gz UBHRJEKZISKCRS-KBPBESRZSA-N 1 2 334.420 0.070 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CC1)C[N@H+]([C@H]1CCN(C)C1=O)CCO2 ZINC000949320710 611938255 /nfs/dbraw/zinc/93/82/55/611938255.db2.gz UBHRJEKZISKCRS-KBPBESRZSA-N 1 2 334.420 0.070 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000949448705 611984562 /nfs/dbraw/zinc/98/45/62/611984562.db2.gz GUVQSGFJCUYZGL-BXUZGUMPSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000949448705 611984563 /nfs/dbraw/zinc/98/45/63/611984563.db2.gz GUVQSGFJCUYZGL-BXUZGUMPSA-N 1 2 340.387 0.819 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc(C(N)=O)[nH]3)CC2)C1 ZINC000949472570 611992246 /nfs/dbraw/zinc/99/22/46/611992246.db2.gz HCROIIUQOVABHC-UHFFFAOYSA-N 1 2 330.388 0.054 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccc(C(N)=O)[nH]3)CC2)C1 ZINC000949472570 611992247 /nfs/dbraw/zinc/99/22/47/611992247.db2.gz HCROIIUQOVABHC-UHFFFAOYSA-N 1 2 330.388 0.054 20 30 ECEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC000950957158 612000171 /nfs/dbraw/zinc/00/01/71/612000171.db2.gz YQFAGJRNQHJGAJ-MSOLQXFVSA-N 1 2 349.475 0.422 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3nc4ncccn4n3)CC2)C1 ZINC000949499682 612009377 /nfs/dbraw/zinc/00/93/77/612009377.db2.gz YRHGYUHCDRMDPE-UHFFFAOYSA-N 1 2 340.387 0.065 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3nc4ncccn4n3)CC2)C1 ZINC000949499682 612009379 /nfs/dbraw/zinc/00/93/79/612009379.db2.gz YRHGYUHCDRMDPE-UHFFFAOYSA-N 1 2 340.387 0.065 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](C)Cc3cnn(C)c3)CC2)C1 ZINC000949504876 612012717 /nfs/dbraw/zinc/01/27/17/612012717.db2.gz VWFRSGIGVJHRCB-INIZCTEOSA-N 1 2 344.459 0.925 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](C)Cc3cnn(C)c3)CC2)C1 ZINC000949504876 612012720 /nfs/dbraw/zinc/01/27/20/612012720.db2.gz VWFRSGIGVJHRCB-INIZCTEOSA-N 1 2 344.459 0.925 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)CC2)C1 ZINC000949507106 612013668 /nfs/dbraw/zinc/01/36/68/612013668.db2.gz SXQRIMFXOZKOKE-MRXNPFEDSA-N 1 2 347.459 0.572 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)CC2)C1 ZINC000949507106 612013670 /nfs/dbraw/zinc/01/36/70/612013670.db2.gz SXQRIMFXOZKOKE-MRXNPFEDSA-N 1 2 347.459 0.572 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000951256101 612109915 /nfs/dbraw/zinc/10/99/15/612109915.db2.gz YIDCTVDQBWMNRM-ZNMIVQPWSA-N 1 2 332.404 0.581 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000951256100 612110260 /nfs/dbraw/zinc/11/02/60/612110260.db2.gz YIDCTVDQBWMNRM-KFWWJZLASA-N 1 2 332.404 0.581 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CCN2C(=O)CCc2c[nH]c[nH+]2)c1 ZINC000952015006 612177768 /nfs/dbraw/zinc/17/77/68/612177768.db2.gz ZIUHVBGJWLYOIT-MRXNPFEDSA-N 1 2 337.383 0.750 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CCN2C(=O)CCc2c[nH+]c[nH]2)c1 ZINC000952015006 612177770 /nfs/dbraw/zinc/17/77/70/612177770.db2.gz ZIUHVBGJWLYOIT-MRXNPFEDSA-N 1 2 337.383 0.750 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000952031904 612190016 /nfs/dbraw/zinc/19/00/16/612190016.db2.gz SFWXXCSGLKNAPF-KGLIPLIRSA-N 1 2 326.400 0.960 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)[nH]1 ZINC000951459777 612249069 /nfs/dbraw/zinc/24/90/69/612249069.db2.gz YVPKSIGFZLIVOC-CQSZACIVSA-N 1 2 340.387 0.894 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000955114626 612273947 /nfs/dbraw/zinc/27/39/47/612273947.db2.gz VLGCCFYZBODEJH-BBRMVZONSA-N 1 2 332.404 0.603 20 30 ECEDLO C=CCn1cccc1C(=O)N(C)C1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000954543400 612387323 /nfs/dbraw/zinc/38/73/23/612387323.db2.gz CVARVUXHTNHBQX-UHFFFAOYSA-N 1 2 341.415 0.933 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000953885043 612392172 /nfs/dbraw/zinc/39/21/72/612392172.db2.gz BUCTYXJYXVIHDP-UHFFFAOYSA-N 1 2 340.387 0.846 20 30 ECEDLO CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CN(C(=O)C#CC2CC2)C1 ZINC000954607195 612443816 /nfs/dbraw/zinc/44/38/16/612443816.db2.gz VIZDGZGBLFJPDA-AWEZNQCLSA-N 1 2 326.400 0.528 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC(N(C)C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC000954671054 612523926 /nfs/dbraw/zinc/52/39/26/612523926.db2.gz ZKJVVCLOJTWTFF-UHFFFAOYSA-N 1 2 343.391 0.034 20 30 ECEDLO C[C@@]1(NC(=O)c2c[nH]c(C#N)c2)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000956842338 612616474 /nfs/dbraw/zinc/61/64/74/612616474.db2.gz DGXOIKVGRUKJFE-QGZVFWFLSA-N 1 2 340.387 0.894 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)[nH]1 ZINC000951814945 612656322 /nfs/dbraw/zinc/65/63/22/612656322.db2.gz XGYOEOPLGPAYKS-LBPRGKRZSA-N 1 2 326.360 0.573 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000954110022 612674098 /nfs/dbraw/zinc/67/40/98/612674098.db2.gz OEIRAGRXUHOXRY-UHFFFAOYSA-N 1 2 326.360 0.525 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000954110022 612674099 /nfs/dbraw/zinc/67/40/99/612674099.db2.gz OEIRAGRXUHOXRY-UHFFFAOYSA-N 1 2 326.360 0.525 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000956079559 612683773 /nfs/dbraw/zinc/68/37/73/612683773.db2.gz JRINQNOKUXWJEW-XHSDSOJGSA-N 1 2 346.431 0.972 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC000956109618 612714681 /nfs/dbraw/zinc/71/46/81/612714681.db2.gz KTPIEUYXADBGFO-IMJJTQAJSA-N 1 2 346.431 0.661 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000954823880 612716393 /nfs/dbraw/zinc/71/63/93/612716393.db2.gz ZRESUVQVLVDUFO-XJKSGUPXSA-N 1 2 348.447 0.316 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000954823880 612716396 /nfs/dbraw/zinc/71/63/96/612716396.db2.gz ZRESUVQVLVDUFO-XJKSGUPXSA-N 1 2 348.447 0.316 20 30 ECEDLO C[C@H](CNC(=O)Cc1cccc(OCC#N)c1)[NH+]1CCN(C)CC1 ZINC000089829744 612762967 /nfs/dbraw/zinc/76/29/67/612762967.db2.gz JHWZBMOZNKLKAK-OAHLLOKOSA-N 1 2 330.432 0.884 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)cn1 ZINC000954932616 612795470 /nfs/dbraw/zinc/79/54/70/612795470.db2.gz BZAFYZZWTGQWGC-UHFFFAOYSA-N 1 2 337.383 0.620 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)Cc2c[nH+]c[nH]2)cn1 ZINC000956251909 612801685 /nfs/dbraw/zinc/80/16/85/612801685.db2.gz AXBMPAVRAACJGB-INIZCTEOSA-N 1 2 337.383 0.750 20 30 ECEDLO C=CCn1cc(C(=O)N(C)C2CN(C(=O)CCc3[nH]cc[nH+]3)C2)nn1 ZINC000954307760 612840098 /nfs/dbraw/zinc/84/00/98/612840098.db2.gz DDODTCFGULXIAQ-UHFFFAOYSA-N 1 2 343.391 0.103 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCN(C(=O)C4CC4)C3)CC2)[nH]1 ZINC000956593369 612921283 /nfs/dbraw/zinc/92/12/83/612921283.db2.gz UBJFGBNBVKZLBB-HNNXBMFYSA-N 1 2 341.415 0.655 20 30 ECEDLO N#Cc1cc(C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)c[nH]1 ZINC000971875193 735298117 /nfs/dbraw/zinc/29/81/17/735298117.db2.gz SMIHRODSMORVHP-IAQYHMDHSA-N 1 2 338.371 0.525 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)Cc3ccsc3)[C@@H](O)C2)C1=O ZINC001083321562 751339830 /nfs/dbraw/zinc/33/98/30/751339830.db2.gz PZBIFEDURQKCPF-KFWWJZLASA-N 1 2 349.456 0.239 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)Cc3ccsc3)[C@@H](O)C2)C1=O ZINC001083321562 751339836 /nfs/dbraw/zinc/33/98/36/751339836.db2.gz PZBIFEDURQKCPF-KFWWJZLASA-N 1 2 349.456 0.239 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N(C)[C@H](C)CNc1[nH+]cnc2c1cnn2C ZINC001104540609 738448299 /nfs/dbraw/zinc/44/82/99/738448299.db2.gz CPMHONIFMJUSSK-BDJLRTHQSA-N 1 2 332.408 0.949 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)ccc2OC)[C@@H](n2ccnn2)C1 ZINC001069973286 790265128 /nfs/dbraw/zinc/26/51/28/790265128.db2.gz VKYSYDXSQMVNAM-CVEARBPZSA-N 1 2 339.399 0.884 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)ccc2OC)[C@@H](n2ccnn2)C1 ZINC001069973286 790265133 /nfs/dbraw/zinc/26/51/33/790265133.db2.gz VKYSYDXSQMVNAM-CVEARBPZSA-N 1 2 339.399 0.884 20 30 ECEDLO Cc1ccc(C#N)c(N(C)C[C@H](O)CN(C)C(=O)Cc2c[nH+]c[nH]2)n1 ZINC001125298170 731886083 /nfs/dbraw/zinc/88/60/83/731886083.db2.gz BBPNSPNDUXNENJ-OAHLLOKOSA-N 1 2 342.403 0.483 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2[nH]cc[nH+]2)c1 ZINC000969744085 732308539 /nfs/dbraw/zinc/30/85/39/732308539.db2.gz CRMIHXQYYQVEQI-IYBDPMFKSA-N 1 2 349.394 0.844 20 30 ECEDLO CN(C[C@@H](O)CN(C)c1ccc(C#N)cn1)C(=O)Cc1c[nH+]c[nH]1 ZINC001125314919 732872505 /nfs/dbraw/zinc/87/25/05/732872505.db2.gz GLQFGAGROMILMM-AWEZNQCLSA-N 1 2 328.376 0.175 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nc(C)no3)C2)nn1 ZINC000970224669 733235867 /nfs/dbraw/zinc/23/58/67/733235867.db2.gz WBBJAPNDKRHVOZ-GFCCVEGCSA-N 1 2 331.380 0.550 20 30 ECEDLO C[C@@H](NC(=O)[C@H]1CCNC1=O)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970268026 733281523 /nfs/dbraw/zinc/28/15/23/733281523.db2.gz KNGIPEWHNKAOEU-ABAIWWIYSA-N 1 2 344.390 0.770 20 30 ECEDLO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC000970284959 733307531 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/nfs/dbraw/zinc/40/46/05/737404605.db2.gz HJMWZPDNHJRPQY-SJLPKXTDSA-N 1 2 330.432 0.997 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)n3nc(C)cc3C)C2)C1 ZINC000972695193 737404606 /nfs/dbraw/zinc/40/46/06/737404606.db2.gz HJMWZPDNHJRPQY-SJLPKXTDSA-N 1 2 330.432 0.997 20 30 ECEDLO C#CCN1CCO[C@]2(CCN(C(=O)[C@H](c3cccnc3)[NH+](C)C)C2)C1 ZINC000972695934 737407876 /nfs/dbraw/zinc/40/78/76/737407876.db2.gz VOZWPAYTPFAQJA-PKOBYXMFSA-N 1 2 342.443 0.621 20 30 ECEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC000972721236 737547269 /nfs/dbraw/zinc/54/72/69/737547269.db2.gz OWCXFYKJYRUUSL-VIFPVBQESA-N 1 2 342.783 0.795 20 30 ECEDLO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC000972721236 737547270 /nfs/dbraw/zinc/54/72/70/737547270.db2.gz OWCXFYKJYRUUSL-VIFPVBQESA-N 1 2 342.783 0.795 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc(Cl)n3C)C2)nn1 ZINC001105283482 741641563 /nfs/dbraw/zinc/64/15/63/741641563.db2.gz QFBREGQIOFZLRV-UHFFFAOYSA-N 1 2 347.810 0.475 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(OC)ccn2)[C@@H](n2ccnn2)C1 ZINC001069995334 790291004 /nfs/dbraw/zinc/29/10/04/790291004.db2.gz JOPZMNOYHWQWQQ-CABCVRRESA-N 1 2 328.376 0.523 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(OC)ccn2)[C@@H](n2ccnn2)C1 ZINC001069995334 790291010 /nfs/dbraw/zinc/29/10/10/790291010.db2.gz JOPZMNOYHWQWQQ-CABCVRRESA-N 1 2 328.376 0.523 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)/C=C(\C)C2CC2)C[C@H]1O ZINC001024357530 737920368 /nfs/dbraw/zinc/92/03/68/737920368.db2.gz RVGDQGVCWQKYRB-KFUPRWLDSA-N 1 2 345.443 0.128 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)/C=C(\C)C2CC2)C[C@H]1O ZINC001024357530 737920370 /nfs/dbraw/zinc/92/03/70/737920370.db2.gz RVGDQGVCWQKYRB-KFUPRWLDSA-N 1 2 345.443 0.128 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001024650865 738199703 /nfs/dbraw/zinc/19/97/03/738199703.db2.gz OTZCXJUWCPFAMY-RWMBFGLXSA-N 1 2 329.828 0.743 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001024650865 738199705 /nfs/dbraw/zinc/19/97/05/738199705.db2.gz OTZCXJUWCPFAMY-RWMBFGLXSA-N 1 2 329.828 0.743 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(=O)NC2CC2)cn1 ZINC001024770781 738281982 /nfs/dbraw/zinc/28/19/82/738281982.db2.gz YNVBMKRRVFWZLN-KRWDZBQOSA-N 1 2 340.427 0.926 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=O)NC2CC2)cn1 ZINC001024770781 738281987 /nfs/dbraw/zinc/28/19/87/738281987.db2.gz YNVBMKRRVFWZLN-KRWDZBQOSA-N 1 2 340.427 0.926 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001024902726 738383717 /nfs/dbraw/zinc/38/37/17/738383717.db2.gz ZBBVNNILBPNNCN-GXTWGEPZSA-N 1 2 342.403 0.653 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)Cc3c(C)nn(C)c3C)[C@H]2C1 ZINC001083279825 739104108 /nfs/dbraw/zinc/10/41/08/739104108.db2.gz RBPXLMXMUGXOCK-DOPJRALCSA-N 1 2 344.459 0.760 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)Cc3c(C)nn(C)c3C)[C@H]2C1 ZINC001083279825 739104110 /nfs/dbraw/zinc/10/41/10/739104110.db2.gz RBPXLMXMUGXOCK-DOPJRALCSA-N 1 2 344.459 0.760 20 30 ECEDLO C[C@H](CNc1ccnc(C#N)n1)N(C)C(=O)CCc1c[nH+]cn1C ZINC001104642145 739351068 /nfs/dbraw/zinc/35/10/68/739351068.db2.gz TXYUAIRDAONGHB-GFCCVEGCSA-N 1 2 327.392 0.395 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001028196107 751446091 /nfs/dbraw/zinc/44/60/91/751446091.db2.gz ABWPKZBZAZPFLJ-YDHLFZDLSA-N 1 2 349.435 0.170 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001028196107 751446094 /nfs/dbraw/zinc/44/60/94/751446094.db2.gz ABWPKZBZAZPFLJ-YDHLFZDLSA-N 1 2 349.435 0.170 20 30 ECEDLO C[C@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001104730498 739545952 /nfs/dbraw/zinc/54/59/52/739545952.db2.gz YGPODMISZGKUSG-OLZOCXBDSA-N 1 2 339.403 0.488 20 30 ECEDLO O=C(Cn1cc[nH+]c1)NC1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC000973626031 739598657 /nfs/dbraw/zinc/59/86/57/739598657.db2.gz LBKLBYXUGPAOLY-MQVJKMGUSA-N 1 2 326.400 0.935 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H](C)C2CN(C(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001006530784 751486055 /nfs/dbraw/zinc/48/60/55/751486055.db2.gz SSZQPPYTKQYWKA-ZDUSSCGKSA-N 1 2 337.383 0.536 20 30 ECEDLO CC(C)C[C@@H](CNc1ccnc(C#N)n1)NC(=O)Cn1cc[nH+]c1 ZINC001104952551 741013591 /nfs/dbraw/zinc/01/35/91/741013591.db2.gz BFOGRZDDSUYQGC-ZDUSSCGKSA-N 1 2 327.392 0.610 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCOCCCOC)C2)nn1 ZINC001105359847 751621260 /nfs/dbraw/zinc/62/12/60/751621260.db2.gz YDNDVWDHOBNNKO-UHFFFAOYSA-N 1 2 349.435 0.218 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3scnc3C)C2)nn1 ZINC001105169932 741434411 /nfs/dbraw/zinc/43/44/11/741434411.db2.gz PPKRULFUCYHBHX-UHFFFAOYSA-N 1 2 330.417 0.853 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)nn1 ZINC000982142615 751638133 /nfs/dbraw/zinc/63/81/33/751638133.db2.gz GJSBZZXUVDFIRH-UHFFFAOYSA-N 1 2 334.424 0.090 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)nn1 ZINC000982142615 751638137 /nfs/dbraw/zinc/63/81/37/751638137.db2.gz GJSBZZXUVDFIRH-UHFFFAOYSA-N 1 2 334.424 0.090 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccnn3C(C)C)C2)nn1 ZINC001105249513 741555007 /nfs/dbraw/zinc/55/50/07/741555007.db2.gz WFQXYDXDMQFZHM-UHFFFAOYSA-N 1 2 341.419 0.866 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc(C4CC4)o3)C2)nn1 ZINC001105262071 741587909 /nfs/dbraw/zinc/58/79/09/741587909.db2.gz DUMMRKFARVGKLR-UHFFFAOYSA-N 1 2 326.360 0.563 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3snnc3C3CC3)C2)nn1 ZINC001105262211 741588653 /nfs/dbraw/zinc/58/86/53/741588653.db2.gz NZASWGGSZRRYTN-UHFFFAOYSA-N 1 2 343.416 0.427 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc4cc[nH]c4c3)C2)nn1 ZINC001105268354 741610159 /nfs/dbraw/zinc/61/01/59/741610159.db2.gz KUTVVIKTMGTRAQ-UHFFFAOYSA-N 1 2 335.371 0.574 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccn4nccc34)C2)nn1 ZINC001105278619 741634124 /nfs/dbraw/zinc/63/41/24/741634124.db2.gz NREMJGZGSUSYCE-UHFFFAOYSA-N 1 2 349.398 0.736 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@]34CCO[C@H]3CCCC4)C2)nn1 ZINC001105280763 741636758 /nfs/dbraw/zinc/63/67/58/741636758.db2.gz BKYTZRLKXPXGSK-WMZOPIPTSA-N 1 2 343.431 0.734 20 30 ECEDLO Cc1cc(C)c(C(=O)N2CC(n3cc(CNCC#N)nn3)C2)c(C)[nH+]1 ZINC001105288275 741648530 /nfs/dbraw/zinc/64/85/30/741648530.db2.gz HBMHXJLOQSBDJV-UHFFFAOYSA-N 1 2 339.403 0.909 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105296887 741673759 /nfs/dbraw/zinc/67/37/59/741673759.db2.gz AWDCTMCCJKFZIO-UHFFFAOYSA-N 1 2 331.420 0.613 20 30 ECEDLO C=CCCCC(=O)N1CC(n2cc(C[NH2+][C@@H]3CCN(C)C3=O)nn2)C1 ZINC001105317113 741751557 /nfs/dbraw/zinc/75/15/57/741751557.db2.gz JAAWLTFCANSJEA-OAHLLOKOSA-N 1 2 346.435 0.338 20 30 ECEDLO C=CCCCC(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(=O)NC)nn2)C1 ZINC001105317153 741752021 /nfs/dbraw/zinc/75/20/21/741752021.db2.gz KVFICCBVJXXJGV-LBPRGKRZSA-N 1 2 334.424 0.242 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](CC(C)C)OC)C2)nn1 ZINC001105323663 741789244 /nfs/dbraw/zinc/78/92/44/741789244.db2.gz FTEIOPXXPPILPU-MRXNPFEDSA-N 1 2 333.436 0.835 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3cccnc3C)C2)nn1 ZINC001105326661 741808846 /nfs/dbraw/zinc/80/88/46/741808846.db2.gz ATJJBNDUHMGWGX-UHFFFAOYSA-N 1 2 338.415 0.720 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3Cc4ccncc4C3)C2)nn1 ZINC001105327213 741813102 /nfs/dbraw/zinc/81/31/02/741813102.db2.gz WUAWRUQPEQKRFH-AWEZNQCLSA-N 1 2 336.399 0.194 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)cn1 ZINC000974669804 741976015 /nfs/dbraw/zinc/97/60/15/741976015.db2.gz JTJUZQAJHCLYMG-GDBMZVCRSA-N 1 2 349.394 0.702 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C(C)C)n[nH]3)C2)nn1 ZINC001105334139 741994182 /nfs/dbraw/zinc/99/41/82/741994182.db2.gz XGWAQNGZJPFDCO-UHFFFAOYSA-N 1 2 327.392 0.545 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnc(C)o2)CC1(C)C ZINC000974685823 742000591 /nfs/dbraw/zinc/00/05/91/742000591.db2.gz LLYDOZBXYOQWQO-LSDHHAIUSA-N 1 2 345.447 0.802 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnc(C)o2)CC1(C)C ZINC000974685823 742000597 /nfs/dbraw/zinc/00/05/97/742000597.db2.gz LLYDOZBXYOQWQO-LSDHHAIUSA-N 1 2 345.447 0.802 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc(C)o2)C1 ZINC001026893007 742037204 /nfs/dbraw/zinc/03/72/04/742037204.db2.gz GIVXAXWMKWBPHJ-GJZGRUSLSA-N 1 2 331.420 0.414 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCS(C)(=O)=O)CC1(C)C ZINC000975068613 742471692 /nfs/dbraw/zinc/47/16/92/742471692.db2.gz XYNFIUGZHMPAFG-HZSPNIEDSA-N 1 2 344.477 0.449 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCS(C)(=O)=O)CC1(C)C ZINC000975068613 742471694 /nfs/dbraw/zinc/47/16/94/742471694.db2.gz XYNFIUGZHMPAFG-HZSPNIEDSA-N 1 2 344.477 0.449 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3c(C)nn(C)c3C)C2)nn1 ZINC001098695208 743521566 /nfs/dbraw/zinc/52/15/66/743521566.db2.gz SJGRJFVQZMPOPC-OAHLLOKOSA-N 1 2 341.419 0.438 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000976726269 744248845 /nfs/dbraw/zinc/24/88/45/744248845.db2.gz HLIIQZNISOTDTL-BSXFFOKHSA-N 1 2 338.411 0.432 20 30 ECEDLO CN(C)c1noc(C[NH2+][C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000998963676 744433873 /nfs/dbraw/zinc/43/38/73/744433873.db2.gz YXWGPZLCJRQKPX-GFCCVEGCSA-N 1 2 343.391 0.730 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C(C)(F)F)[C@H](OC)C1 ZINC001213460530 751928076 /nfs/dbraw/zinc/92/80/76/751928076.db2.gz RTMAWYJBZUXKHW-IJLUTSLNSA-N 1 2 333.379 0.395 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)C(C)(F)F)[C@H](OC)C1 ZINC001213460530 751928080 /nfs/dbraw/zinc/92/80/80/751928080.db2.gz RTMAWYJBZUXKHW-IJLUTSLNSA-N 1 2 333.379 0.395 20 30 ECEDLO C#CC[N@@H+](C)[C@H]1CCCN(C(=O)CS(=O)(=O)C2CCCC2)C1 ZINC001027463163 744594387 /nfs/dbraw/zinc/59/43/87/744594387.db2.gz SUKSDSUYAZUQIX-AWEZNQCLSA-N 1 2 326.462 0.900 20 30 ECEDLO C#CC[N@H+](C)[C@H]1CCCN(C(=O)CS(=O)(=O)C2CCCC2)C1 ZINC001027463163 744594389 /nfs/dbraw/zinc/59/43/89/744594389.db2.gz SUKSDSUYAZUQIX-AWEZNQCLSA-N 1 2 326.462 0.900 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2C[N@H+]([C@@H]3CCNC3=O)CC2(C)C)nn1 ZINC000977283929 744841546 /nfs/dbraw/zinc/84/15/46/744841546.db2.gz IYUGUZDTEHZBCU-KGLIPLIRSA-N 1 2 346.435 0.183 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2C[N@@H+]([C@@H]3CCNC3=O)CC2(C)C)nn1 ZINC000977283929 744841548 /nfs/dbraw/zinc/84/15/48/744841548.db2.gz IYUGUZDTEHZBCU-KGLIPLIRSA-N 1 2 346.435 0.183 20 30 ECEDLO CN(CC#N)[C@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001027505775 744865778 /nfs/dbraw/zinc/86/57/78/744865778.db2.gz PYMLTELBEYTHQW-DLBZAZTESA-N 1 2 334.464 0.934 20 30 ECEDLO CN(CC#N)[C@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001027505775 744865780 /nfs/dbraw/zinc/86/57/80/744865780.db2.gz PYMLTELBEYTHQW-DLBZAZTESA-N 1 2 334.464 0.934 20 30 ECEDLO CN(CC#N)[C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001027505776 744865871 /nfs/dbraw/zinc/86/58/71/744865871.db2.gz PYMLTELBEYTHQW-IAGOWNOFSA-N 1 2 334.464 0.934 20 30 ECEDLO CN(CC#N)[C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001027505776 744865874 /nfs/dbraw/zinc/86/58/74/744865874.db2.gz PYMLTELBEYTHQW-IAGOWNOFSA-N 1 2 334.464 0.934 20 30 ECEDLO N#CCSCC(=O)N1CC[C@@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001059198493 745116905 /nfs/dbraw/zinc/11/69/05/745116905.db2.gz TYBKSMHGHAMSTG-CYBMUJFWSA-N 1 2 349.460 0.954 20 30 ECEDLO O=C(C#CC1CC1)NCCN(CCO)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001058784987 745146653 /nfs/dbraw/zinc/14/66/53/745146653.db2.gz KBQMXNSVYXPWSK-AWEZNQCLSA-N 1 2 344.415 0.180 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000988387028 751975995 /nfs/dbraw/zinc/97/59/95/751975995.db2.gz CNKXTCXYJZDTNW-BMFZPTHFSA-N 1 2 346.431 0.850 20 30 ECEDLO CN(C[C@H]1CCN1C(=O)Cn1cc[nH+]c1)C(=O)c1c[nH]c(C#N)c1 ZINC000977581916 745239474 /nfs/dbraw/zinc/23/94/74/745239474.db2.gz ZSRZVXAVZBRAPK-CQSZACIVSA-N 1 2 326.360 0.456 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)[C@H]1CCCCO1 ZINC001083410417 745258738 /nfs/dbraw/zinc/25/87/38/745258738.db2.gz DYBGPHMEYYSYJF-FGTMMUONSA-N 1 2 328.412 0.769 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)[C@H]1CCCCO1 ZINC001083410417 745258744 /nfs/dbraw/zinc/25/87/44/745258744.db2.gz DYBGPHMEYYSYJF-FGTMMUONSA-N 1 2 328.412 0.769 20 30 ECEDLO CN(C[C@H]1CCN1C(=O)CCn1cc[nH+]c1)C(=O)c1ccc(C#N)[nH]1 ZINC000977609164 745264416 /nfs/dbraw/zinc/26/44/16/745264416.db2.gz XHOCSFBHHOXMKI-CQSZACIVSA-N 1 2 340.387 0.846 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@H]([NH2+]Cc3nc(C)no3)C2)nn1 ZINC001000401878 745477529 /nfs/dbraw/zinc/47/75/29/745477529.db2.gz GGLHWJLVLHGDKF-LBPRGKRZSA-N 1 2 331.380 0.550 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1[nH]cc[nH+]1 ZINC001000567786 745601949 /nfs/dbraw/zinc/60/19/49/745601949.db2.gz YYPPGYWKLILLJJ-MRLBHPIUSA-N 1 2 344.415 0.791 20 30 ECEDLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000984043280 745725620 /nfs/dbraw/zinc/72/56/20/745725620.db2.gz XYLNRFSGVQJXFH-CQSZACIVSA-N 1 2 340.387 0.915 20 30 ECEDLO N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001059339093 746020380 /nfs/dbraw/zinc/02/03/80/746020380.db2.gz PWAUVGVSWRIAEF-AVGNSLFASA-N 1 2 337.387 0.866 20 30 ECEDLO N#Cc1nccc(N[C@H]2C[C@H](NC(=O)c3cccc4[nH+]ccn43)C2)n1 ZINC001059348850 746150495 /nfs/dbraw/zinc/15/04/95/746150495.db2.gz JCQRHWVNBWIAHE-HAQNSBGRSA-N 1 2 333.355 0.791 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3nccn3C)[C@@H]2CC)nn1 ZINC001087754002 746286609 /nfs/dbraw/zinc/28/66/09/746286609.db2.gz KJTGKMWHSIHHDZ-DZGCQCFKSA-N 1 2 343.435 0.981 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3nccn3C)[C@@H]2CC)nn1 ZINC001087754002 746286613 /nfs/dbraw/zinc/28/66/13/746286613.db2.gz KJTGKMWHSIHHDZ-DZGCQCFKSA-N 1 2 343.435 0.981 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@@H]2O)c[nH]1 ZINC001083418703 746525259 /nfs/dbraw/zinc/52/52/59/746525259.db2.gz WIVTYYXSXCIQQT-KGLIPLIRSA-N 1 2 348.794 0.211 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@@H]2O)c[nH]1 ZINC001083418703 746525262 /nfs/dbraw/zinc/52/52/62/746525262.db2.gz WIVTYYXSXCIQQT-KGLIPLIRSA-N 1 2 348.794 0.211 20 30 ECEDLO Cc1ccnc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)n1 ZINC001083436465 752109263 /nfs/dbraw/zinc/10/92/63/752109263.db2.gz VOGMRZWLGIFOTE-CVEARBPZSA-N 1 2 337.383 0.632 20 30 ECEDLO Cc1ccnc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)n1 ZINC001083436465 752109266 /nfs/dbraw/zinc/10/92/66/752109266.db2.gz VOGMRZWLGIFOTE-CVEARBPZSA-N 1 2 337.383 0.632 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000984566818 746638056 /nfs/dbraw/zinc/63/80/56/746638056.db2.gz KPLJRGMEGULAQK-ZNMIVQPWSA-N 1 2 346.431 0.993 20 30 ECEDLO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CCCS3(=O)=O)C[C@@]2(C)C1 ZINC000982401830 752112780 /nfs/dbraw/zinc/11/27/80/752112780.db2.gz NIXQTGSOSBRLSM-OIISXLGYSA-N 1 2 338.473 0.757 20 30 ECEDLO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CCCS3(=O)=O)C[C@@]2(C)C1 ZINC000982401830 752112784 /nfs/dbraw/zinc/11/27/84/752112784.db2.gz NIXQTGSOSBRLSM-OIISXLGYSA-N 1 2 338.473 0.757 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3oc(C4CC4)nc3C)C2)nn1 ZINC001105340727 746748842 /nfs/dbraw/zinc/74/88/42/746748842.db2.gz NKBOWAHNLXMNIP-UHFFFAOYSA-N 1 2 340.387 0.872 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C)nc(C)n3)C2)nn1 ZINC001105340630 746755958 /nfs/dbraw/zinc/75/59/58/746755958.db2.gz IGZMWHYYJLSGAZ-UHFFFAOYSA-N 1 2 339.403 0.495 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)CC[C@@H]2C1 ZINC001088093090 747354065 /nfs/dbraw/zinc/35/40/65/747354065.db2.gz JDMJCWHLFOJABX-QWQRMKEZSA-N 1 2 347.463 0.991 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC000979263767 747491128 /nfs/dbraw/zinc/49/11/28/747491128.db2.gz QKILQTDQDVUDNW-OTVXOJSOSA-N 1 2 337.383 0.653 20 30 ECEDLO C[C@H]([NH2+]Cc1nc(N(C)C)no1)[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979342496 747646834 /nfs/dbraw/zinc/64/68/34/747646834.db2.gz YQLQNZPINNPPGJ-GXTWGEPZSA-N 1 2 347.419 0.255 20 30 ECEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)Cn2ncnn2)CC1 ZINC001002821600 747831613 /nfs/dbraw/zinc/83/16/13/747831613.db2.gz BRPWMAYZJGIWHJ-UHFFFAOYSA-N 1 2 343.366 0.465 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1)C(=O)c1c[nH]c(C#N)c1 ZINC001002888052 747923012 /nfs/dbraw/zinc/92/30/12/747923012.db2.gz GPJZXNYKDDXICL-CQSZACIVSA-N 1 2 340.387 0.915 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2cnon2)C1 ZINC001029758225 748270773 /nfs/dbraw/zinc/27/07/73/748270773.db2.gz VRLIJODBKDXOCF-ZBFHGGJFSA-N 1 2 331.420 0.448 20 30 ECEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2CCN(C)C2=O)CC1 ZINC001003465987 748582276 /nfs/dbraw/zinc/58/22/76/748582276.db2.gz SIFSLIPMMYLGDB-GFCCVEGCSA-N 1 2 344.253 0.954 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000985576871 748594225 /nfs/dbraw/zinc/59/42/25/748594225.db2.gz MUHJDGHZEPPHBC-DZGCQCFKSA-N 1 2 340.387 0.961 20 30 ECEDLO CCc1nc(C#N)cc(N(C)CCN(C)C(=O)Cn2cc[nH+]c2)n1 ZINC001105419023 748786786 /nfs/dbraw/zinc/78/67/86/748786786.db2.gz BDXJOUFDNVIPBM-UHFFFAOYSA-N 1 2 327.392 0.702 20 30 ECEDLO CC(C)C#CC(=O)N1CC[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001059611352 748797136 /nfs/dbraw/zinc/79/71/36/748797136.db2.gz SGAWTVSWSWVPMV-HNNXBMFYSA-N 1 2 330.432 0.977 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC001013929827 761927766 /nfs/dbraw/zinc/92/77/66/761927766.db2.gz UVSCTYCUKIFJFM-VXGBXAGGSA-N 1 2 343.391 0.149 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC001013931337 761931041 /nfs/dbraw/zinc/93/10/41/761931041.db2.gz BUMNWPVEPOEJKS-JSGCOSHPSA-N 1 2 337.383 0.748 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC000986085316 749502434 /nfs/dbraw/zinc/50/24/34/749502434.db2.gz RBHOOKAWSZEIDX-SJORKVTESA-N 1 2 340.427 0.994 20 30 ECEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001004546079 749607837 /nfs/dbraw/zinc/60/78/37/749607837.db2.gz GEGZLYNDXQGLLD-SOUVJXGZSA-N 1 2 334.420 0.246 20 30 ECEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001004546079 749607840 /nfs/dbraw/zinc/60/78/40/749607840.db2.gz GEGZLYNDXQGLLD-SOUVJXGZSA-N 1 2 334.420 0.246 20 30 ECEDLO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCCCN1C(=O)c1c[nH]c(C#N)c1 ZINC001004808217 749893174 /nfs/dbraw/zinc/89/31/74/749893174.db2.gz JQDFQMMHPHPQGU-RISCZKNCSA-N 1 2 342.407 0.583 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3cnn(C)c3)CC2)C1=O ZINC000980685262 749967825 /nfs/dbraw/zinc/96/78/25/749967825.db2.gz SWBMVYHPZAAMBY-HNNXBMFYSA-N 1 2 331.420 0.355 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3cnn(C)c3)CC2)C1=O ZINC000980685262 749967831 /nfs/dbraw/zinc/96/78/31/749967831.db2.gz SWBMVYHPZAAMBY-HNNXBMFYSA-N 1 2 331.420 0.355 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ncccc3O)[C@H]2C)C1=O ZINC001088538664 750435064 /nfs/dbraw/zinc/43/50/64/750435064.db2.gz LOBXPDXHOQXJSU-HZSPNIEDSA-N 1 2 344.415 0.767 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ncccc3O)[C@H]2C)C1=O ZINC001088538664 750435068 /nfs/dbraw/zinc/43/50/68/750435068.db2.gz LOBXPDXHOQXJSU-HZSPNIEDSA-N 1 2 344.415 0.767 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CCn2ncn(C)c2=O)CC1 ZINC000981681955 750965631 /nfs/dbraw/zinc/96/56/31/750965631.db2.gz JVQQGUNXTYSWFY-UHFFFAOYSA-N 1 2 327.816 0.259 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CCn2ncn(C)c2=O)CC1 ZINC000981681955 750965633 /nfs/dbraw/zinc/96/56/33/750965633.db2.gz JVQQGUNXTYSWFY-UHFFFAOYSA-N 1 2 327.816 0.259 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)CCn1cc[nH+]c1 ZINC000987625380 751044311 /nfs/dbraw/zinc/04/43/11/751044311.db2.gz MQZDMMMVEDJXMZ-OCCSQVGLSA-N 1 2 340.387 0.892 20 30 ECEDLO N#CCSCC(=O)NCC[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001059820283 751076989 /nfs/dbraw/zinc/07/69/89/751076989.db2.gz UBNYQORCOMAPPJ-CYBMUJFWSA-N 1 2 349.460 0.954 20 30 ECEDLO N#CCSCC(=O)NCC[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001059820283 751076997 /nfs/dbraw/zinc/07/69/97/751076997.db2.gz UBNYQORCOMAPPJ-CYBMUJFWSA-N 1 2 349.460 0.954 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001006185519 751099934 /nfs/dbraw/zinc/09/99/34/751099934.db2.gz PLZMCUQFOZQSMU-MAZHCROVSA-N 1 2 346.431 0.897 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H](OC)C(F)(F)F)C2)nn1 ZINC001105358324 751187719 /nfs/dbraw/zinc/18/77/19/751187719.db2.gz WMSPBBCUVCSUIX-LBPRGKRZSA-N 1 2 345.325 0.352 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1CC[C@@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001059830485 751187740 /nfs/dbraw/zinc/18/77/40/751187740.db2.gz DLOGNGKESQYBQQ-LSDHHAIUSA-N 1 2 348.447 0.909 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001059830483 751187753 /nfs/dbraw/zinc/18/77/53/751187753.db2.gz DLOGNGKESQYBQQ-GJZGRUSLSA-N 1 2 348.447 0.909 20 30 ECEDLO CO[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212045626 752439616 /nfs/dbraw/zinc/43/96/16/752439616.db2.gz SHKQDXMWWCHRHN-CYZMBNFOSA-N 1 2 338.433 0.193 20 30 ECEDLO CO[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212045626 752439618 /nfs/dbraw/zinc/43/96/18/752439618.db2.gz SHKQDXMWWCHRHN-CYZMBNFOSA-N 1 2 338.433 0.193 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)n(C)nc3Cl)C2)nn1 ZINC001105368421 752468921 /nfs/dbraw/zinc/46/89/21/752468921.db2.gz VTJJKQHXDRVBIV-UHFFFAOYSA-N 1 2 347.810 0.393 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccccc2F)[C@H](OC)C1 ZINC001211766145 752669215 /nfs/dbraw/zinc/66/92/15/752669215.db2.gz UEUSFSIZOGOSHW-DAXOMENPSA-N 1 2 347.390 0.393 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccccc2F)[C@H](OC)C1 ZINC001211766145 752669220 /nfs/dbraw/zinc/66/92/20/752669220.db2.gz UEUSFSIZOGOSHW-DAXOMENPSA-N 1 2 347.390 0.393 20 30 ECEDLO C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001075920189 752681879 /nfs/dbraw/zinc/68/18/79/752681879.db2.gz TZKJYXZZWHNSGL-UONOGXRCSA-N 1 2 334.420 0.659 20 30 ECEDLO CCc1nnc(C[N@@H+]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1C ZINC001028491124 752834169 /nfs/dbraw/zinc/83/41/69/752834169.db2.gz SHVBVAYHOSSMDU-GFCCVEGCSA-N 1 2 341.419 0.829 20 30 ECEDLO CCc1nnc(C[N@H+]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1C ZINC001028491124 752834178 /nfs/dbraw/zinc/83/41/78/752834178.db2.gz SHVBVAYHOSSMDU-GFCCVEGCSA-N 1 2 341.419 0.829 20 30 ECEDLO CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001008057031 753249864 /nfs/dbraw/zinc/24/98/64/753249864.db2.gz DWHHQCSGGFKNFQ-CQSZACIVSA-N 1 2 340.387 0.750 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C[C@@H]2C)cc1 ZINC000989272623 753555014 /nfs/dbraw/zinc/55/50/14/753555014.db2.gz FPBAHCDEUIRZDS-SWLSCSKDSA-N 1 2 339.399 0.483 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)on1 ZINC001083335099 753591430 /nfs/dbraw/zinc/59/14/30/753591430.db2.gz YUEJCEQPGKQGEV-CABCVRRESA-N 1 2 326.356 0.830 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)on1 ZINC001083335099 753591432 /nfs/dbraw/zinc/59/14/32/753591432.db2.gz YUEJCEQPGKQGEV-CABCVRRESA-N 1 2 326.356 0.830 20 30 ECEDLO C/C=C(/C)C(=O)N1CC[C@@H](n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001098648664 753595558 /nfs/dbraw/zinc/59/55/58/753595558.db2.gz CHMVWZYDSMOOCT-DTIAODDMSA-N 1 2 331.420 0.757 20 30 ECEDLO N#Cc1cc(C[N@@H+]2C[C@@H](NC(=O)Cn3cccn3)[C@@H](O)C2)ccc1F ZINC001083340287 753610192 /nfs/dbraw/zinc/61/01/92/753610192.db2.gz ZLDMRMDPNRDDBD-CVEARBPZSA-N 1 2 343.362 0.255 20 30 ECEDLO N#Cc1cc(C[N@H+]2C[C@@H](NC(=O)Cn3cccn3)[C@@H](O)C2)ccc1F ZINC001083340287 753610197 /nfs/dbraw/zinc/61/01/97/753610197.db2.gz ZLDMRMDPNRDDBD-CVEARBPZSA-N 1 2 343.362 0.255 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3oc(C)nc3C)C2)nn1 ZINC001098649099 753638228 /nfs/dbraw/zinc/63/82/28/753638228.db2.gz LBBBHQDUHBGFPO-CQSZACIVSA-N 1 2 328.376 0.693 20 30 ECEDLO Cc1cncc(C[N@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)c1 ZINC001083392333 753794078 /nfs/dbraw/zinc/79/40/78/753794078.db2.gz CVKZLEQBKUFBAW-CVEARBPZSA-N 1 2 325.372 0.565 20 30 ECEDLO Cc1cncc(C[N@@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)c1 ZINC001083392333 753794084 /nfs/dbraw/zinc/79/40/84/753794084.db2.gz CVKZLEQBKUFBAW-CVEARBPZSA-N 1 2 325.372 0.565 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCCn3cccc3)C2)nn1 ZINC001105376037 753856017 /nfs/dbraw/zinc/85/60/17/753856017.db2.gz ZSBQEGLWNAQBOW-UHFFFAOYSA-N 1 2 326.404 0.666 20 30 ECEDLO CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@]2(C)C1 ZINC000982822029 753860185 /nfs/dbraw/zinc/86/01/85/753860185.db2.gz XHNSZWJQTVAJBU-OIISXLGYSA-N 1 2 338.473 0.757 20 30 ECEDLO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@]2(C)C1 ZINC000982822029 753860192 /nfs/dbraw/zinc/86/01/92/753860192.db2.gz XHNSZWJQTVAJBU-OIISXLGYSA-N 1 2 338.473 0.757 20 30 ECEDLO COCCN(CCNC(=O)Cc1[nH]c[nH+]c1C)c1cncc(C#N)n1 ZINC001126394787 753932119 /nfs/dbraw/zinc/93/21/19/753932119.db2.gz GKVSLNWTYMAQEZ-UHFFFAOYSA-N 1 2 343.391 0.192 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001008591860 753933062 /nfs/dbraw/zinc/93/30/62/753933062.db2.gz QUIGSVWFWPYFQS-CHWSQXEVSA-N 1 2 338.843 0.959 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001008591860 753933066 /nfs/dbraw/zinc/93/30/66/753933066.db2.gz QUIGSVWFWPYFQS-CHWSQXEVSA-N 1 2 338.843 0.959 20 30 ECEDLO N#Cc1nccc(N[C@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)n1 ZINC001059061412 754042667 /nfs/dbraw/zinc/04/26/67/754042667.db2.gz QIRWTQUQPAOJNU-RYUDHWBXSA-N 1 2 337.387 0.626 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3cnsn3)C[C@@H]2C)nn1 ZINC000989537127 754081418 /nfs/dbraw/zinc/08/14/18/754081418.db2.gz RPXYCQVKNFGLLD-WDEREUQCSA-N 1 2 333.421 0.708 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3cnsn3)C[C@H]2C)nn1 ZINC000989537124 754081633 /nfs/dbraw/zinc/08/16/33/754081633.db2.gz RPXYCQVKNFGLLD-MNOVXSKESA-N 1 2 333.421 0.708 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)CC1 ZINC000989557579 754113618 /nfs/dbraw/zinc/11/36/18/754113618.db2.gz NFKCHBVRSNRQOQ-CQSZACIVSA-N 1 2 349.884 0.745 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@@]2(C)CCS(=O)(=O)N2)CC1 ZINC000989557579 754113626 /nfs/dbraw/zinc/11/36/26/754113626.db2.gz NFKCHBVRSNRQOQ-CQSZACIVSA-N 1 2 349.884 0.745 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@H](C)C(N)=O)C2)cc1 ZINC001008793514 754124543 /nfs/dbraw/zinc/12/45/43/754124543.db2.gz UWKIKUKXNPQXDP-UKRRQHHQSA-N 1 2 329.400 0.767 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)C(N)=O)C2)cc1 ZINC001008793514 754124545 /nfs/dbraw/zinc/12/45/45/754124545.db2.gz UWKIKUKXNPQXDP-UKRRQHHQSA-N 1 2 329.400 0.767 20 30 ECEDLO CCc1nnc(C[NH2+]C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)o1 ZINC001051523421 762273236 /nfs/dbraw/zinc/27/32/36/762273236.db2.gz CYGUWGYPCPYSKT-LBPRGKRZSA-N 1 2 344.375 0.463 20 30 ECEDLO Cc1noc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)n1 ZINC001051529314 762279188 /nfs/dbraw/zinc/27/91/88/762279188.db2.gz ZGJHLWDGONZOLI-GXFFZTMASA-N 1 2 344.375 0.770 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001009185993 754627465 /nfs/dbraw/zinc/62/74/65/754627465.db2.gz FFUDQLSBBRTRFC-VIFPVBQESA-N 1 2 342.783 0.843 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001009185993 754627468 /nfs/dbraw/zinc/62/74/68/754627468.db2.gz FFUDQLSBBRTRFC-VIFPVBQESA-N 1 2 342.783 0.843 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccc(COC)o3)C2)nn1 ZINC001098687608 754639905 /nfs/dbraw/zinc/63/99/05/754639905.db2.gz BAJJLXHTMJQVPI-CQSZACIVSA-N 1 2 343.387 0.828 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001009263434 754720025 /nfs/dbraw/zinc/72/00/25/754720025.db2.gz VWKWZDRPGMVQND-STQMWFEESA-N 1 2 330.388 0.162 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001009263434 754720029 /nfs/dbraw/zinc/72/00/29/754720029.db2.gz VWKWZDRPGMVQND-STQMWFEESA-N 1 2 330.388 0.162 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C ZINC000990124646 754747061 /nfs/dbraw/zinc/74/70/61/754747061.db2.gz PRKZZXQSWFNMLG-RZFFKMDDSA-N 1 2 332.404 0.649 20 30 ECEDLO CN(CCN(C)c1cncc(C#N)n1)C(=O)CCc1[nH+]ccn1C ZINC001105611983 754833147 /nfs/dbraw/zinc/83/31/47/754833147.db2.gz PRFMFMOYFAAULI-UHFFFAOYSA-N 1 2 327.392 0.609 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3cc(C)n[nH]3)C2)nn1 ZINC001098652005 755122116 /nfs/dbraw/zinc/12/21/16/755122116.db2.gz IRWMQOFBEFFYFI-MRXNPFEDSA-N 1 2 341.419 0.439 20 30 ECEDLO Cc1cc(=O)c(C(=O)N2C[C@@H](C)OC3(CC[NH+](CC#N)CC3)C2)c[nH]1 ZINC001098652433 755157253 /nfs/dbraw/zinc/15/72/53/755157253.db2.gz DERKVSCWHYKFJJ-CQSZACIVSA-N 1 2 344.415 0.902 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3nnc(C)[nH]3)C2)nn1 ZINC001028852893 755312572 /nfs/dbraw/zinc/31/25/72/755312572.db2.gz OSDKAJIMERYIQM-GFCCVEGCSA-N 1 2 330.396 0.143 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3nnc(C)[nH]3)C2)nn1 ZINC001028852893 755312574 /nfs/dbraw/zinc/31/25/74/755312574.db2.gz OSDKAJIMERYIQM-GFCCVEGCSA-N 1 2 330.396 0.143 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC000983371181 755445118 /nfs/dbraw/zinc/44/51/18/755445118.db2.gz WOMGAOUWSNXGDU-CQSZACIVSA-N 1 2 337.383 0.607 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C/C(Cl)=C/Cl)C[C@@H]1O ZINC001083535790 755974957 /nfs/dbraw/zinc/97/49/57/755974957.db2.gz MBHLIQZEFCJKID-HGXGUZKJSA-N 1 2 346.258 0.564 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C/C(Cl)=C/Cl)C[C@@H]1O ZINC001083535790 755974960 /nfs/dbraw/zinc/97/49/60/755974960.db2.gz MBHLIQZEFCJKID-HGXGUZKJSA-N 1 2 346.258 0.564 20 30 ECEDLO C[C@@H]1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001010327076 756003067 /nfs/dbraw/zinc/00/30/67/756003067.db2.gz GNSZELPWPWKNJO-NEPJUHHUSA-N 1 2 340.387 0.819 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)c1 ZINC001010381199 756063155 /nfs/dbraw/zinc/06/31/55/756063155.db2.gz MRPLQBJGPSFFFI-UKRRQHHQSA-N 1 2 330.363 0.666 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)c1 ZINC001010381199 756063160 /nfs/dbraw/zinc/06/31/60/756063160.db2.gz MRPLQBJGPSFFFI-UKRRQHHQSA-N 1 2 330.363 0.666 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCCC(=O)NC)C2)nn1 ZINC001098661678 756077714 /nfs/dbraw/zinc/07/77/14/756077714.db2.gz QCVDAJZUODZPMY-OAHLLOKOSA-N 1 2 346.435 0.081 20 30 ECEDLO C#CCCCCC(=O)N1CC[C@H](n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001098661795 756117237 /nfs/dbraw/zinc/11/72/37/756117237.db2.gz SETGRHZOCATLQP-ZFWWWQNUSA-N 1 2 346.435 0.209 20 30 ECEDLO C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001076431932 756501284 /nfs/dbraw/zinc/50/12/84/756501284.db2.gz VENABOWTHUTKPU-ZFWWWQNUSA-N 1 2 328.416 0.870 20 30 ECEDLO O=C(C#CC1CC1)N1CCCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001010898095 756651549 /nfs/dbraw/zinc/65/15/49/756651549.db2.gz MKQWNEWVHDIIRD-UHFFFAOYSA-N 1 2 326.400 0.817 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccc3F)C2)C1=O ZINC001076688054 756855842 /nfs/dbraw/zinc/85/58/42/756855842.db2.gz XVGIILMKBWOBGP-BZUAXINKSA-N 1 2 347.390 0.388 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccc3F)C2)C1=O ZINC001076688054 756855848 /nfs/dbraw/zinc/85/58/48/756855848.db2.gz XVGIILMKBWOBGP-BZUAXINKSA-N 1 2 347.390 0.388 20 30 ECEDLO N#Cc1cc(C(=O)NC2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)c[nH]1 ZINC000990933103 756904243 /nfs/dbraw/zinc/90/42/43/756904243.db2.gz QXMUHPNOWKZOBV-NSHDSACASA-N 1 2 338.371 0.286 20 30 ECEDLO Cn1cnnc1C[N@H+]1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1 ZINC001048779415 756965792 /nfs/dbraw/zinc/96/57/92/756965792.db2.gz UGQMHZPYVKXSHG-BETUJISGSA-N 1 2 325.376 0.219 20 30 ECEDLO Cn1cnnc1C[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1 ZINC001048779415 756965797 /nfs/dbraw/zinc/96/57/97/756965797.db2.gz UGQMHZPYVKXSHG-BETUJISGSA-N 1 2 325.376 0.219 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1c1nccnc1C#N ZINC001048796704 757029050 /nfs/dbraw/zinc/02/90/50/757029050.db2.gz CFPDAHGETYVXSD-WCQYABFASA-N 1 2 325.376 0.788 20 30 ECEDLO CCCCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)C#N)nn2)C1 ZINC001107150053 757054212 /nfs/dbraw/zinc/05/42/12/757054212.db2.gz ZLPSDPCWAJWOLG-ZDUSSCGKSA-N 1 2 334.424 0.727 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC3(C)C)nn2)C1 ZINC001107156573 757135389 /nfs/dbraw/zinc/13/53/89/757135389.db2.gz CNUVTNXFQFITMT-HNNXBMFYSA-N 1 2 333.436 1.000 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C=C3CCCCC3)C2)C1=O ZINC001076788445 757148385 /nfs/dbraw/zinc/14/83/85/757148385.db2.gz LKWLLGPLRCBBQM-IXDOHACOSA-N 1 2 347.459 0.825 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C=C3CCCCC3)C2)C1=O ZINC001076788445 757148393 /nfs/dbraw/zinc/14/83/93/757148393.db2.gz LKWLLGPLRCBBQM-IXDOHACOSA-N 1 2 347.459 0.825 20 30 ECEDLO C[C@H](CC(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)n1cc[nH+]c1 ZINC001048866416 757228721 /nfs/dbraw/zinc/22/87/21/757228721.db2.gz OTSOTRCOCVCSIQ-KBMXLJTQSA-N 1 2 344.415 0.278 20 30 ECEDLO N#Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCOC3)C2)ccc1F ZINC001076824181 757276937 /nfs/dbraw/zinc/27/69/37/757276937.db2.gz YPXLXCVVKBOLRZ-IAOVAPTHSA-N 1 2 347.390 0.785 20 30 ECEDLO N#Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCOC3)C2)ccc1F ZINC001076824181 757276942 /nfs/dbraw/zinc/27/69/42/757276942.db2.gz YPXLXCVVKBOLRZ-IAOVAPTHSA-N 1 2 347.390 0.785 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cc[nH]n3)C2)s1 ZINC001076828591 757291542 /nfs/dbraw/zinc/29/15/42/757291542.db2.gz IXVMQXHXQJCGAW-ZIAGYGMSSA-N 1 2 331.401 0.247 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cc[nH]n3)C2)s1 ZINC001076828591 757291551 /nfs/dbraw/zinc/29/15/51/757291551.db2.gz IXVMQXHXQJCGAW-ZIAGYGMSSA-N 1 2 331.401 0.247 20 30 ECEDLO C#CCC1(C(=O)NCc2cn(C3C[NH+](CC=C)C3)nn2)CCOCC1 ZINC001107178345 757334549 /nfs/dbraw/zinc/33/45/49/757334549.db2.gz SWFNKSRVXDZCCA-UHFFFAOYSA-N 1 2 343.431 0.757 20 30 ECEDLO CCc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001076855769 757397887 /nfs/dbraw/zinc/39/78/87/757397887.db2.gz MGSJCSBZUWZXDW-HUUCEWRRSA-N 1 2 329.360 0.412 20 30 ECEDLO CCc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001076855769 757397898 /nfs/dbraw/zinc/39/78/98/757397898.db2.gz MGSJCSBZUWZXDW-HUUCEWRRSA-N 1 2 329.360 0.412 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[C@H]3CCCC(=O)N3)nn2)C1 ZINC001107184119 757415255 /nfs/dbraw/zinc/41/52/55/757415255.db2.gz DLQWHQMNKGBCOC-CYBMUJFWSA-N 1 2 346.435 0.386 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](OC)c3cnn(C)c3)nn2)C1 ZINC001107190367 757436759 /nfs/dbraw/zinc/43/67/59/757436759.db2.gz SYWMWLPOKZTTNL-OAHLLOKOSA-N 1 2 345.407 0.058 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)Cc3ccc(=O)[nH]c3)nn2)C1 ZINC001107187514 757468398 /nfs/dbraw/zinc/46/83/98/757468398.db2.gz HBPGPTYEXBMYNU-UHFFFAOYSA-N 1 2 342.403 0.670 20 30 ECEDLO CC1(C)CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1NCC#N ZINC000996372731 757480964 /nfs/dbraw/zinc/48/09/64/757480964.db2.gz BCCVKISQQJFPEP-OAHLLOKOSA-N 1 2 334.464 0.982 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)nc1 ZINC001011319430 757504126 /nfs/dbraw/zinc/50/41/26/757504126.db2.gz MMFOSBZITPALSS-HUUCEWRRSA-N 1 2 349.394 0.874 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)nc1 ZINC001011319430 757504136 /nfs/dbraw/zinc/50/41/36/757504136.db2.gz MMFOSBZITPALSS-HUUCEWRRSA-N 1 2 349.394 0.874 20 30 ECEDLO C[C@@H](c1cnccn1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076898404 757516047 /nfs/dbraw/zinc/51/60/47/757516047.db2.gz HMKDMMYYCGTQNT-COLVAYQJSA-N 1 2 326.360 0.212 20 30 ECEDLO C[C@@H](c1cnccn1)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076898404 757516056 /nfs/dbraw/zinc/51/60/56/757516056.db2.gz HMKDMMYYCGTQNT-COLVAYQJSA-N 1 2 326.360 0.212 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)CCCF)nn2)C1 ZINC001107195929 757529644 /nfs/dbraw/zinc/52/96/44/757529644.db2.gz BFNOCMIVYFWVQS-UHFFFAOYSA-N 1 2 325.388 0.703 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001049000012 757649330 /nfs/dbraw/zinc/64/93/30/757649330.db2.gz IHMBQORQYSYCIG-KBMXLJTQSA-N 1 2 348.447 0.975 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001049000012 757649333 /nfs/dbraw/zinc/64/93/33/757649333.db2.gz IHMBQORQYSYCIG-KBMXLJTQSA-N 1 2 348.447 0.975 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3ccsn3)[C@@H](O)C2)cc1 ZINC001083556542 757653883 /nfs/dbraw/zinc/65/38/83/757653883.db2.gz GKZSZEJHYVZGPW-CABCVRRESA-N 1 2 328.397 0.990 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)c3ccsn3)[C@@H](O)C2)cc1 ZINC001083556542 757653888 /nfs/dbraw/zinc/65/38/88/757653888.db2.gz GKZSZEJHYVZGPW-CABCVRRESA-N 1 2 328.397 0.990 20 30 ECEDLO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCCn2cc[nH+]c2)C1 ZINC001049035593 757753075 /nfs/dbraw/zinc/75/30/75/757753075.db2.gz ZWMHCBXHBDHYPJ-HOTGVXAUSA-N 1 2 346.431 0.497 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C3(C)CCOCC3)nn2)C1 ZINC001107221135 757857037 /nfs/dbraw/zinc/85/70/37/757857037.db2.gz IDWRRBDNJXBDDE-UHFFFAOYSA-N 1 2 331.420 0.591 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001049111709 757988989 /nfs/dbraw/zinc/98/89/89/757988989.db2.gz QIZYFNTWDMWPHB-KBMXLJTQSA-N 1 2 348.447 0.595 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCNC(=O)CC(C)C)nn2)C1 ZINC001107241961 757997974 /nfs/dbraw/zinc/99/79/74/757997974.db2.gz KDBZQRFQLWQGCY-UHFFFAOYSA-N 1 2 348.451 0.489 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](CC(C)C)C(N)=O)nn2)C1 ZINC001107241822 757998468 /nfs/dbraw/zinc/99/84/68/757998468.db2.gz GAOUJYAMZODWIX-CQSZACIVSA-N 1 2 334.424 0.085 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CNC(=O)C(C)(C)C)nn2)C1 ZINC001107234497 758017292 /nfs/dbraw/zinc/01/72/92/758017292.db2.gz FTFXQZOTQVQYGZ-UHFFFAOYSA-N 1 2 348.451 0.489 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001011568471 758022775 /nfs/dbraw/zinc/02/27/75/758022775.db2.gz QVSJRTIRPZAEIK-ZDUSSCGKSA-N 1 2 338.371 0.711 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C(F)=C(C)C)[C@H](OC)C2)C1=O ZINC001212126908 758048215 /nfs/dbraw/zinc/04/82/15/758048215.db2.gz CBQCRORCMILJPT-MGPQQGTHSA-N 1 2 339.411 0.852 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C(F)=C(C)C)[C@H](OC)C2)C1=O ZINC001212126908 758048223 /nfs/dbraw/zinc/04/82/23/758048223.db2.gz CBQCRORCMILJPT-MGPQQGTHSA-N 1 2 339.411 0.852 20 30 ECEDLO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001049126160 758048267 /nfs/dbraw/zinc/04/82/67/758048267.db2.gz QXFICYZWVGBZOI-GJZGRUSLSA-N 1 2 332.404 0.107 20 30 ECEDLO CCn1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)CSCC#N)C[C@]3(C)C2)n1 ZINC001101135646 758098937 /nfs/dbraw/zinc/09/89/37/758098937.db2.gz USIUUTJKNSNVLC-CJNGLKHVSA-N 1 2 348.476 0.835 20 30 ECEDLO CCn1ncc(C[N@H+]2C[C@@H]3CN(C(=O)CSCC#N)C[C@]3(C)C2)n1 ZINC001101135646 758098949 /nfs/dbraw/zinc/09/89/49/758098949.db2.gz USIUUTJKNSNVLC-CJNGLKHVSA-N 1 2 348.476 0.835 20 30 ECEDLO C=CCn1cccc1C(=O)N1CCO[C@@H](C[NH2+]Cc2nnc(C)o2)C1 ZINC001051654206 762601569 /nfs/dbraw/zinc/60/15/69/762601569.db2.gz JEDUUCXOPVUQJI-AWEZNQCLSA-N 1 2 345.403 0.996 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001049152995 758144228 /nfs/dbraw/zinc/14/42/28/758144228.db2.gz PUIQUYOXYGVDAY-BPUTZDHNSA-N 1 2 348.447 0.893 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001011660766 758232857 /nfs/dbraw/zinc/23/28/57/758232857.db2.gz CZJOKBFKJKQDMU-JQWIXIFHSA-N 1 2 326.360 0.571 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C(=O)C(C)(C)C ZINC001077124552 758284490 /nfs/dbraw/zinc/28/44/90/758284490.db2.gz XNACMYNABKVFGY-KBPBESRZSA-N 1 2 335.448 0.710 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)C(=O)C(C)(C)C ZINC001077124552 758284497 /nfs/dbraw/zinc/28/44/97/758284497.db2.gz XNACMYNABKVFGY-KBPBESRZSA-N 1 2 335.448 0.710 20 30 ECEDLO C#CCOCCC(=O)NC/C=C/CNc1ncnc2c1C[N@H+](C)CC2 ZINC001107343914 758315677 /nfs/dbraw/zinc/31/56/77/758315677.db2.gz HCCRCCBNUHZEBE-SNAWJCMRSA-N 1 2 343.431 0.589 20 30 ECEDLO C#CCOCCC(=O)NC/C=C/CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001107343914 758315685 /nfs/dbraw/zinc/31/56/85/758315685.db2.gz HCCRCCBNUHZEBE-SNAWJCMRSA-N 1 2 343.431 0.589 20 30 ECEDLO C=C[C@H](CC)CC(=O)N(C)[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1O ZINC001049267750 758458836 /nfs/dbraw/zinc/45/88/36/758458836.db2.gz CCPDBBYLXQIJNH-KBMXLJTQSA-N 1 2 348.447 0.975 20 30 ECEDLO C=C[C@H](CC)CC(=O)N(C)[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1O ZINC001049267750 758458840 /nfs/dbraw/zinc/45/88/40/758458840.db2.gz CCPDBBYLXQIJNH-KBMXLJTQSA-N 1 2 348.447 0.975 20 30 ECEDLO COCC[NH+]1CC(OC2CCN(C(=O)CSCC#N)CC2)C1 ZINC001105691473 758517388 /nfs/dbraw/zinc/51/73/88/758517388.db2.gz QCBUQGPXJFIHQL-UHFFFAOYSA-N 1 2 327.450 0.581 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(=O)Nc1cnccn1 ZINC001049381177 758600379 /nfs/dbraw/zinc/60/03/79/758600379.db2.gz JJXFBVQDPNHEOL-MCIONIFRSA-N 1 2 342.403 0.640 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(=O)Nc1cnccn1 ZINC001049381177 758600386 /nfs/dbraw/zinc/60/03/86/758600386.db2.gz JJXFBVQDPNHEOL-MCIONIFRSA-N 1 2 342.403 0.640 20 30 ECEDLO C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1O ZINC001049389207 758616250 /nfs/dbraw/zinc/61/62/50/758616250.db2.gz UMAJNYZWZMSOMP-ONERCXAPSA-N 1 2 341.371 0.366 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3ccccc3c2O)C1 ZINC001077289202 758700531 /nfs/dbraw/zinc/70/05/31/758700531.db2.gz DMKWSAUOKTVICS-HZPDHXFCSA-N 1 2 325.368 0.326 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3ccccc3c2O)C1 ZINC001077289202 758700539 /nfs/dbraw/zinc/70/05/39/758700539.db2.gz DMKWSAUOKTVICS-HZPDHXFCSA-N 1 2 325.368 0.326 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@H]2C)c1 ZINC001011857001 758780088 /nfs/dbraw/zinc/78/00/88/758780088.db2.gz QKZUFWZQDODCJL-BBRMVZONSA-N 1 2 337.383 0.679 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)c3ccccc3[nH]2)C1 ZINC001077331586 758828772 /nfs/dbraw/zinc/82/87/72/758828772.db2.gz FYSWQZBPQNHWKY-NVXWUHKLSA-N 1 2 327.384 0.879 20 30 ECEDLO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)c3ccccc3[nH]2)C1 ZINC001077331586 758828782 /nfs/dbraw/zinc/82/87/82/758828782.db2.gz FYSWQZBPQNHWKY-NVXWUHKLSA-N 1 2 327.384 0.879 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)Cn3ncnn3)C2)c1 ZINC001014428193 762664782 /nfs/dbraw/zinc/66/47/82/762664782.db2.gz KZXCYYVOELLDGF-ZDUSSCGKSA-N 1 2 329.339 0.075 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)Cn3ncnn3)C2)c1 ZINC001014428193 762664787 /nfs/dbraw/zinc/66/47/87/762664787.db2.gz KZXCYYVOELLDGF-ZDUSSCGKSA-N 1 2 329.339 0.075 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C)cn1 ZINC001011938608 759004796 /nfs/dbraw/zinc/00/47/96/759004796.db2.gz SUSBXUJECACALX-LRDDRELGSA-N 1 2 337.383 0.748 20 30 ECEDLO N#Cc1nccc(NC[C@@H]2CCC[C@H]2NC(=O)CCc2c[nH]c[nH+]2)n1 ZINC001105693697 759062202 /nfs/dbraw/zinc/06/22/02/759062202.db2.gz IFZDTCBMRNDBJO-GXTWGEPZSA-N 1 2 339.403 0.823 20 30 ECEDLO N#Cc1nccc(NC[C@@H]2CCC[C@H]2NC(=O)CCc2c[nH+]c[nH]2)n1 ZINC001105693697 759062209 /nfs/dbraw/zinc/06/22/09/759062209.db2.gz IFZDTCBMRNDBJO-GXTWGEPZSA-N 1 2 339.403 0.823 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)N(C)C(=O)C3)[C@@H](O)C1 ZINC001083610264 759285955 /nfs/dbraw/zinc/28/59/55/759285955.db2.gz LYZJRWVDOHMTCA-ZBFHGGJFSA-N 1 2 327.384 0.004 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)N(C)C(=O)C3)[C@@H](O)C1 ZINC001083610264 759285960 /nfs/dbraw/zinc/28/59/60/759285960.db2.gz LYZJRWVDOHMTCA-ZBFHGGJFSA-N 1 2 327.384 0.004 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C)c1 ZINC001012053342 759297772 /nfs/dbraw/zinc/29/77/72/759297772.db2.gz WZRWUHTXCWXHIC-LRDDRELGSA-N 1 2 337.383 0.748 20 30 ECEDLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001050103190 759708188 /nfs/dbraw/zinc/70/81/88/759708188.db2.gz JPZWGHCFGQVKTE-RYUDHWBXSA-N 1 2 335.433 0.562 20 30 ECEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3nccnc3C(N)=O)cc2C1 ZINC001054291471 767898580 /nfs/dbraw/zinc/89/85/80/767898580.db2.gz QFFWRNISBLYPEJ-UHFFFAOYSA-N 1 2 335.367 0.454 20 30 ECEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3nccnc3C(N)=O)cc2C1 ZINC001054291471 767898585 /nfs/dbraw/zinc/89/85/85/767898585.db2.gz QFFWRNISBLYPEJ-UHFFFAOYSA-N 1 2 335.367 0.454 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H]([C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001050296075 760076090 /nfs/dbraw/zinc/07/60/90/760076090.db2.gz AXBMCTMBIGNFSH-OCCSQVGLSA-N 1 2 334.420 0.816 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CC3CC(C)(C)C3)[C@@H](O)C2)C1=O ZINC001083721898 767932676 /nfs/dbraw/zinc/93/26/76/767932676.db2.gz YIIVKZVGEFHGDW-PMPSAXMXSA-N 1 2 349.475 0.761 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CC3CC(C)(C)C3)[C@@H](O)C2)C1=O ZINC001083721898 767932680 /nfs/dbraw/zinc/93/26/80/767932680.db2.gz YIIVKZVGEFHGDW-PMPSAXMXSA-N 1 2 349.475 0.761 20 30 ECEDLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000945479209 760363848 /nfs/dbraw/zinc/36/38/48/760363848.db2.gz ZYYARJNVLPIPGR-SMDDNHRTSA-N 1 2 340.387 0.819 20 30 ECEDLO C[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@H]2CNc2cncc(C#N)n2)C1 ZINC001060225320 760482975 /nfs/dbraw/zinc/48/29/75/760482975.db2.gz NNGNUWOEMBUYGU-LSDHHAIUSA-N 1 2 344.419 0.472 20 30 ECEDLO C[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@H]2CNc2cncc(C#N)n2)C1 ZINC001060225320 760482982 /nfs/dbraw/zinc/48/29/82/760482982.db2.gz NNGNUWOEMBUYGU-LSDHHAIUSA-N 1 2 344.419 0.472 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[NH+](Cc1cnn(C)n1)CC2 ZINC001050670891 760650205 /nfs/dbraw/zinc/65/02/05/760650205.db2.gz VUDIRBNZIDRYHU-CVEARBPZSA-N 1 2 345.447 0.831 20 30 ECEDLO C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1O ZINC001048539915 760683445 /nfs/dbraw/zinc/68/34/45/760683445.db2.gz MRHDWARMDIFSGU-UXOAXIEHSA-N 1 2 332.404 0.510 20 30 ECEDLO C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1O ZINC001048539915 760683449 /nfs/dbraw/zinc/68/34/49/760683449.db2.gz MRHDWARMDIFSGU-UXOAXIEHSA-N 1 2 332.404 0.510 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001060232631 760730343 /nfs/dbraw/zinc/73/03/43/760730343.db2.gz DGFGXMKNKUDDOV-KFWWJZLASA-N 1 2 346.431 0.898 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001060232704 760730360 /nfs/dbraw/zinc/73/03/60/760730360.db2.gz FTGDACSZYNCRPR-KGLIPLIRSA-N 1 2 332.404 0.345 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001050735443 760755992 /nfs/dbraw/zinc/75/59/92/760755992.db2.gz KGXUEPIIMMUTSE-HUUCEWRRSA-N 1 2 346.431 0.735 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001050735443 760755996 /nfs/dbraw/zinc/75/59/96/760755996.db2.gz KGXUEPIIMMUTSE-HUUCEWRRSA-N 1 2 346.431 0.735 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001012908426 760805541 /nfs/dbraw/zinc/80/55/41/760805541.db2.gz OPNMVROFGCBDNN-XHDPSFHLSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001012908426 760805553 /nfs/dbraw/zinc/80/55/53/760805553.db2.gz OPNMVROFGCBDNN-XHDPSFHLSA-N 1 2 340.387 0.961 20 30 ECEDLO Cc1cc(NC(=O)C[N@@H+]2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)no1 ZINC001048726309 761051121 /nfs/dbraw/zinc/05/11/21/761051121.db2.gz BRPZKSMGXAUXEW-RTXFEEFZSA-N 1 2 331.376 0.471 20 30 ECEDLO Cc1cc(NC(=O)C[N@H+]2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)no1 ZINC001048726309 761051130 /nfs/dbraw/zinc/05/11/30/761051130.db2.gz BRPZKSMGXAUXEW-RTXFEEFZSA-N 1 2 331.376 0.471 20 30 ECEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C(=O)NCC3CC3)CC2)C1 ZINC001105730762 761380621 /nfs/dbraw/zinc/38/06/21/761380621.db2.gz WNZQNLBTSRBSIB-UHFFFAOYSA-N 1 2 335.448 0.781 20 30 ECEDLO C=CCN1CCOC[C@@H]1CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001051045338 761385500 /nfs/dbraw/zinc/38/55/00/761385500.db2.gz YEGYVYSHSWVXLO-IRXDYDNUSA-N 1 2 337.464 0.490 20 30 ECEDLO C=CCN1CCOC[C@@H]1CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001051045338 761385506 /nfs/dbraw/zinc/38/55/06/761385506.db2.gz YEGYVYSHSWVXLO-IRXDYDNUSA-N 1 2 337.464 0.490 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]nc1[C@@H]1CCOC1 ZINC001051046224 761387954 /nfs/dbraw/zinc/38/79/54/761387954.db2.gz JVQJJKICFVBHAH-KGLIPLIRSA-N 1 2 334.420 0.920 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]nc1[C@@H]1CCOC1 ZINC001051046224 761387962 /nfs/dbraw/zinc/38/79/62/761387962.db2.gz JVQJJKICFVBHAH-KGLIPLIRSA-N 1 2 334.420 0.920 20 30 ECEDLO COCC#CCN1CC(OC2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001105734490 761410468 /nfs/dbraw/zinc/41/04/68/761410468.db2.gz UYDDQKSECUROPJ-UHFFFAOYSA-N 1 2 346.431 0.225 20 30 ECEDLO C=CC[NH+]1CC(OC2CCN(C(=O)COCCOCC)CC2)C1 ZINC001105734390 761410711 /nfs/dbraw/zinc/41/07/11/761410711.db2.gz PBPVBZWLCLJCKX-UHFFFAOYSA-N 1 2 326.437 0.917 20 30 ECEDLO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccn(CC(C)C)c1=O ZINC001051149298 761565795 /nfs/dbraw/zinc/56/57/95/761565795.db2.gz FYHXYWHXJGLGNG-INIZCTEOSA-N 1 2 345.443 0.958 20 30 ECEDLO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccn(CC(C)C)c1=O ZINC001051149298 761565802 /nfs/dbraw/zinc/56/58/02/761565802.db2.gz FYHXYWHXJGLGNG-INIZCTEOSA-N 1 2 345.443 0.958 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001051185750 761641153 /nfs/dbraw/zinc/64/11/53/761641153.db2.gz YPPOCQYZNNNJLC-GJZGRUSLSA-N 1 2 349.435 0.321 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001051185750 761641162 /nfs/dbraw/zinc/64/11/62/761641162.db2.gz YPPOCQYZNNNJLC-GJZGRUSLSA-N 1 2 349.435 0.321 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC001051209631 761692694 /nfs/dbraw/zinc/69/26/94/761692694.db2.gz LKKJLNBGRPLKQO-ZIAGYGMSSA-N 1 2 333.436 0.693 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC001051209631 761692700 /nfs/dbraw/zinc/69/27/00/761692700.db2.gz LKKJLNBGRPLKQO-ZIAGYGMSSA-N 1 2 333.436 0.693 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2C[C@@H]2CCOC2)nc1 ZINC001051215701 761706046 /nfs/dbraw/zinc/70/60/46/761706046.db2.gz ZBKKQRBIBWTAAZ-JKSUJKDBSA-N 1 2 329.400 0.530 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2C[C@@H]2CCOC2)nc1 ZINC001051215701 761706050 /nfs/dbraw/zinc/70/60/50/761706050.db2.gz ZBKKQRBIBWTAAZ-JKSUJKDBSA-N 1 2 329.400 0.530 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cccc(C(=O)NC)n1 ZINC001051228884 761724118 /nfs/dbraw/zinc/72/41/18/761724118.db2.gz RJGKAONVUGICPF-CYBMUJFWSA-N 1 2 332.404 0.448 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc(C(=O)NC)n1 ZINC001051228884 761724122 /nfs/dbraw/zinc/72/41/22/761724122.db2.gz RJGKAONVUGICPF-CYBMUJFWSA-N 1 2 332.404 0.448 20 30 ECEDLO C=C1CCC(C(=O)N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](O)C2)CC1 ZINC000991576870 761740416 /nfs/dbraw/zinc/74/04/16/761740416.db2.gz VKESKVSBJGBNRP-HZPDHXFCSA-N 1 2 346.431 0.708 20 30 ECEDLO C[C@H](NC(=O)C#CC1CC1)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001051259297 761782268 /nfs/dbraw/zinc/78/22/68/761782268.db2.gz JNOREWVPWKBMCR-DZGCQCFKSA-N 1 2 328.416 0.729 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccnc(-n2cncn2)c1 ZINC001051268227 761796410 /nfs/dbraw/zinc/79/64/10/761796410.db2.gz HMWVPLBWWPHQPP-OAHLLOKOSA-N 1 2 342.403 0.669 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccnc(-n2cncn2)c1 ZINC001051268227 761796417 /nfs/dbraw/zinc/79/64/17/761796417.db2.gz HMWVPLBWWPHQPP-OAHLLOKOSA-N 1 2 342.403 0.669 20 30 ECEDLO Cc1nsc(N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](O)C2)c1C#N ZINC001051701481 762732728 /nfs/dbraw/zinc/73/27/28/762732728.db2.gz SQJOPDNGIRRNMY-CHWSQXEVSA-N 1 2 346.416 0.276 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001017532651 768089560 /nfs/dbraw/zinc/08/95/60/768089560.db2.gz CQMBPYKKWUMIMD-UKRRQHHQSA-N 1 2 341.415 0.880 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001105965462 763081826 /nfs/dbraw/zinc/08/18/26/763081826.db2.gz BIDIVHUZNSFSOT-UONOGXRCSA-N 1 2 335.408 0.145 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3nnc(C)o3)C2)nc1 ZINC001051908804 763303662 /nfs/dbraw/zinc/30/36/62/763303662.db2.gz LMUZGBYQCWBSBU-CQSZACIVSA-N 1 2 341.371 0.385 20 30 ECEDLO C=CCC(CC=C)C(=O)NC[C@@H](O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001105989634 763345351 /nfs/dbraw/zinc/34/53/51/763345351.db2.gz GOTHIVQHAQPNLO-CQSZACIVSA-N 1 2 348.451 0.903 20 30 ECEDLO C=CCn1cccc1C(=O)NC1C[NH+](CCCN2C(=O)CNC2=O)C1 ZINC001030447649 763366833 /nfs/dbraw/zinc/36/68/33/763366833.db2.gz GKQAXKNMICJXKO-UHFFFAOYSA-N 1 2 345.403 0.030 20 30 ECEDLO CN1C(=O)CC[C@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031901805 763468178 /nfs/dbraw/zinc/46/81/78/763468178.db2.gz PWPSTBFQPVZIGC-INIZCTEOSA-N 1 2 344.390 0.866 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3cnn(C)c3)C2)CC1 ZINC001051995199 763542140 /nfs/dbraw/zinc/54/21/40/763542140.db2.gz AVSJHLWQXGQVCJ-KRWDZBQOSA-N 1 2 329.448 0.204 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(Cc3ccnn3C)CC2)C1 ZINC001051997643 763548201 /nfs/dbraw/zinc/54/82/01/763548201.db2.gz FEXDOCQTVBTWAL-GOEBONIOSA-N 1 2 330.436 0.298 20 30 ECEDLO Cc1cnc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)o1 ZINC001051997801 763548861 /nfs/dbraw/zinc/54/88/61/763548861.db2.gz IPQVAONLFRSRMX-UKRRQHHQSA-N 1 2 331.420 0.861 20 30 ECEDLO Cc1nocc1CN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001051998250 763549726 /nfs/dbraw/zinc/54/97/26/763549726.db2.gz QANIVHNKCBRJCB-CJNGLKHVSA-N 1 2 331.420 0.861 20 30 ECEDLO Cc1nccnc1CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001051998713 763553065 /nfs/dbraw/zinc/55/30/65/763553065.db2.gz YWJOJDBJFAWXSG-GOEBONIOSA-N 1 2 342.447 0.663 20 30 ECEDLO Cn1ccnc1CN1CC[NH+]([C@@H]2CCN(C(=O)C#CC3CC3)C2)CC1 ZINC001052026594 763619881 /nfs/dbraw/zinc/61/98/81/763619881.db2.gz QVZWRDXDEOMXNE-QGZVFWFLSA-N 1 2 341.459 0.552 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc(C)nc3OC)C2)CC1 ZINC001052035884 763645290 /nfs/dbraw/zinc/64/52/90/763645290.db2.gz SNSMDWVWNZXGEH-HNNXBMFYSA-N 1 2 343.431 0.259 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnc(C)nc3OC)C2)CC1 ZINC001052035884 763645297 /nfs/dbraw/zinc/64/52/97/763645297.db2.gz SNSMDWVWNZXGEH-HNNXBMFYSA-N 1 2 343.431 0.259 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3c(C)nnn3CC)C2)CC1 ZINC001052036892 763651916 /nfs/dbraw/zinc/65/19/16/763651916.db2.gz XCTZPYPIIVHAPG-HNNXBMFYSA-N 1 2 332.452 0.625 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc4cccn4cn3)C2)CC1 ZINC001052040428 763661028 /nfs/dbraw/zinc/66/10/28/763661028.db2.gz FTIGPFPTNAWUFC-MRXNPFEDSA-N 1 2 338.415 0.690 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cncc(OC)c3C)C2)CC1 ZINC001052042960 763672556 /nfs/dbraw/zinc/67/25/56/763672556.db2.gz LNEBCWXWQVXNRG-INIZCTEOSA-N 1 2 342.443 0.864 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn(CCF)c3)C2)CC1 ZINC001052045364 763682294 /nfs/dbraw/zinc/68/22/94/763682294.db2.gz RNVSAVSHUAFDHU-MRXNPFEDSA-N 1 2 333.411 0.318 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cn3cc(C4CC4)cn3)C2)CC1 ZINC001052045948 763685317 /nfs/dbraw/zinc/68/53/17/763685317.db2.gz YNDPMTLBPVRRCL-GOSISDBHSA-N 1 2 341.459 0.612 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3Cc4ccccc4O3)C2)CC1 ZINC001052047599 763691188 /nfs/dbraw/zinc/69/11/88/763691188.db2.gz SGQLVQTXKSFNHQ-FUHWJXTLSA-N 1 2 340.427 0.732 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)CN3CCCNC3=O)C2)CC1 ZINC001052047814 763692541 /nfs/dbraw/zinc/69/25/41/763692541.db2.gz BDFHMJUXVDWPPG-INIZCTEOSA-N 1 2 349.479 0.196 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)CC1 ZINC001052047800 763692670 /nfs/dbraw/zinc/69/26/70/763692670.db2.gz AQFLOBLHMOTTPQ-HZPDHXFCSA-N 1 2 334.464 0.307 20 30 ECEDLO N#Cc1ccc(NC[C@H](O)CNC(=O)[C@H]2CCc3[nH+]ccn3C2)cn1 ZINC001106014660 763713446 /nfs/dbraw/zinc/71/34/46/763713446.db2.gz BKPFLHPNOYHPOF-WFASDCNBSA-N 1 2 340.387 0.301 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(CC)nnc3C)C2)CC1 ZINC001052056019 763725794 /nfs/dbraw/zinc/72/57/94/763725794.db2.gz CRBZGESJSWBAIQ-QGZVFWFLSA-N 1 2 341.459 0.813 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCNC(=O)CC3)C2)CC1 ZINC001052057742 763732089 /nfs/dbraw/zinc/73/20/89/763732089.db2.gz SEQFUAFFIVFYPL-IAGOWNOFSA-N 1 2 346.475 0.145 20 30 ECEDLO C=CCC[NH+]1CCN([C@H]2CCN(C(=O)C3=NC(=O)N(C)C3)C2)CC1 ZINC001052077279 763785608 /nfs/dbraw/zinc/78/56/08/763785608.db2.gz QGZUDIZWOUDARF-AWEZNQCLSA-N 1 2 333.436 0.534 20 30 ECEDLO C=CCC[NH+]1CCN([C@@H]2CCN(C(=O)C3=NC(=O)N(C)C3)C2)CC1 ZINC001052077280 763786231 /nfs/dbraw/zinc/78/62/31/763786231.db2.gz QGZUDIZWOUDARF-CQSZACIVSA-N 1 2 333.436 0.534 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C)nn3CC)C2)CC1 ZINC001052085681 763811888 /nfs/dbraw/zinc/81/18/88/763811888.db2.gz IWXHHKSCZYUOED-MRXNPFEDSA-N 1 2 329.448 0.677 20 30 ECEDLO C#Cc1cncc(C(=O)NCC2C[NH+](Cc3ccnc(OC)n3)C2)c1 ZINC001031965320 763832226 /nfs/dbraw/zinc/83/22/26/763832226.db2.gz IIFSYYQMKKCTEP-UHFFFAOYSA-N 1 2 337.383 0.723 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cncc(OC)n3)C2)CC1 ZINC001052092817 763835022 /nfs/dbraw/zinc/83/50/22/763835022.db2.gz FACXSIAJHZQTOP-AWEZNQCLSA-N 1 2 331.420 0.503 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C)nc(C)n3)C2)CC1 ZINC001052096820 763848429 /nfs/dbraw/zinc/84/84/29/763848429.db2.gz PXJNTYJVMRLMET-MRXNPFEDSA-N 1 2 327.432 0.559 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3nc4ncccn4n3)C2)CC1 ZINC001052099038 763855939 /nfs/dbraw/zinc/85/59/39/763855939.db2.gz GCIKXFIQYDEQQG-CQSZACIVSA-N 1 2 341.419 0.142 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3coc(OCC)n3)C2)C1=O ZINC001015097028 763873456 /nfs/dbraw/zinc/87/34/56/763873456.db2.gz ORFVSXLPPOFIRQ-JSGCOSHPSA-N 1 2 348.403 0.664 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3coc(OCC)n3)C2)C1=O ZINC001015097028 763873459 /nfs/dbraw/zinc/87/34/59/763873459.db2.gz ORFVSXLPPOFIRQ-JSGCOSHPSA-N 1 2 348.403 0.664 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ncoc3C3CC3)C2)CC1 ZINC001052105482 763876806 /nfs/dbraw/zinc/87/68/06/763876806.db2.gz LLHDHRSKXNZVFS-AWEZNQCLSA-N 1 2 329.404 0.908 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(N(C)C)nn3)C2)CC1 ZINC001052108900 763893449 /nfs/dbraw/zinc/89/34/49/763893449.db2.gz RWEXYJINARSODA-OAHLLOKOSA-N 1 2 342.447 0.008 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn4cc[nH]c34)C2)CC1 ZINC001052112179 763906384 /nfs/dbraw/zinc/90/63/84/763906384.db2.gz ONCZHBZYTKQUCL-OAHLLOKOSA-N 1 2 340.431 0.518 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3c(C)nn(C)c3F)C2)CC1 ZINC001052112896 763909411 /nfs/dbraw/zinc/90/94/11/763909411.db2.gz GYYXFCBZFSDTGU-AWEZNQCLSA-N 1 2 335.427 0.886 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C2)CC1 ZINC001052117604 763928888 /nfs/dbraw/zinc/92/88/88/763928888.db2.gz VALWKBZAPDRZIW-QGZVFWFLSA-N 1 2 340.427 0.251 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)Cn3ccccc3=O)C2)CC1 ZINC001052117773 763930638 /nfs/dbraw/zinc/93/06/38/763930638.db2.gz ZXHSUQYZUYSKQO-KRWDZBQOSA-N 1 2 344.459 0.643 20 30 ECEDLO C=CCN1CC[C@H](N2CC(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1=O ZINC001030555022 763934059 /nfs/dbraw/zinc/93/40/59/763934059.db2.gz SAYGGBSAWOZEDB-CJNGLKHVSA-N 1 2 343.431 0.033 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)n3nc(C)cc3C)C2)CC1 ZINC001052121820 763943524 /nfs/dbraw/zinc/94/35/24/763943524.db2.gz HVQLQLIEUVGOIH-ZWKOTPCHSA-N 1 2 343.475 0.913 20 30 ECEDLO CN(C(=O)[C@H]1CCCOC1)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047318352 763979689 /nfs/dbraw/zinc/97/96/89/763979689.db2.gz PGHJBMIFOORRRD-FHWLQOOXSA-N 1 2 342.439 0.968 20 30 ECEDLO CN(C(=O)[C@H]1CCCOC1)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047318352 763979698 /nfs/dbraw/zinc/97/96/98/763979698.db2.gz PGHJBMIFOORRRD-FHWLQOOXSA-N 1 2 342.439 0.968 20 30 ECEDLO Cc1cc(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)on1 ZINC001047353854 764089735 /nfs/dbraw/zinc/08/97/35/764089735.db2.gz PIKCNNVSNBZQJO-GJZGRUSLSA-N 1 2 329.360 0.500 20 30 ECEDLO Cc1cc(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)on1 ZINC001047353854 764089744 /nfs/dbraw/zinc/08/97/44/764089744.db2.gz PIKCNNVSNBZQJO-GJZGRUSLSA-N 1 2 329.360 0.500 20 30 ECEDLO C[C@H](c1cnccn1)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001047354789 764093668 /nfs/dbraw/zinc/09/36/68/764093668.db2.gz LSRSYFAXMXLLJL-RLCCDNCMSA-N 1 2 340.387 0.555 20 30 ECEDLO C[C@H](c1cnccn1)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001047354789 764093673 /nfs/dbraw/zinc/09/36/73/764093673.db2.gz LSRSYFAXMXLLJL-RLCCDNCMSA-N 1 2 340.387 0.555 20 30 ECEDLO C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(S(C)(=O)=O)c2)C1 ZINC001047388391 764186465 /nfs/dbraw/zinc/18/64/65/764186465.db2.gz RRJJLWKPZBODRO-STQMWFEESA-N 1 2 342.417 0.376 20 30 ECEDLO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(S(C)(=O)=O)c2)C1 ZINC001047388391 764186472 /nfs/dbraw/zinc/18/64/72/764186472.db2.gz RRJJLWKPZBODRO-STQMWFEESA-N 1 2 342.417 0.376 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(Cn3cccn3)o2)C1 ZINC001047390360 764191552 /nfs/dbraw/zinc/19/15/52/764191552.db2.gz FVYQGMJWOIRAOM-GJZGRUSLSA-N 1 2 328.372 0.275 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(Cn3cccn3)o2)C1 ZINC001047390360 764191562 /nfs/dbraw/zinc/19/15/62/764191562.db2.gz FVYQGMJWOIRAOM-GJZGRUSLSA-N 1 2 328.372 0.275 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3ccn(C)n3)on2)C1 ZINC001047393960 764200995 /nfs/dbraw/zinc/20/09/95/764200995.db2.gz DFLPOWZZJIZRDO-GJZGRUSLSA-N 1 2 343.387 0.216 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3ccn(C)n3)on2)C1 ZINC001047393960 764201003 /nfs/dbraw/zinc/20/10/03/764201003.db2.gz DFLPOWZZJIZRDO-GJZGRUSLSA-N 1 2 343.387 0.216 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3ccn(C)c3)n[nH]2)C1 ZINC001047406432 764244384 /nfs/dbraw/zinc/24/43/84/764244384.db2.gz WNLQBUKYGKXRNW-HOTGVXAUSA-N 1 2 327.388 0.166 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3ccn(C)c3)n[nH]2)C1 ZINC001047406432 764244395 /nfs/dbraw/zinc/24/43/95/764244395.db2.gz WNLQBUKYGKXRNW-HOTGVXAUSA-N 1 2 327.388 0.166 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001015260681 764265150 /nfs/dbraw/zinc/26/51/50/764265150.db2.gz LNCVSGRQGMYHMA-BXUZGUMPSA-N 1 2 340.387 0.961 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sc3nccn3c2C)C1 ZINC001047413170 764267175 /nfs/dbraw/zinc/26/71/75/764267175.db2.gz ZWXIVKYVNFAKEX-STQMWFEESA-N 1 2 332.429 0.845 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sc3nccn3c2C)C1 ZINC001047413170 764267181 /nfs/dbraw/zinc/26/71/81/764267181.db2.gz ZWXIVKYVNFAKEX-STQMWFEESA-N 1 2 332.429 0.845 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CC(F)(F)F)n2)C1 ZINC001047418632 764284140 /nfs/dbraw/zinc/28/41/40/764284140.db2.gz YCGPQUHQWFEYOI-RYUDHWBXSA-N 1 2 330.310 0.196 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CC(F)(F)F)n2)C1 ZINC001047418632 764284148 /nfs/dbraw/zinc/28/41/48/764284148.db2.gz YCGPQUHQWFEYOI-RYUDHWBXSA-N 1 2 330.310 0.196 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001106067468 764288926 /nfs/dbraw/zinc/28/89/26/764288926.db2.gz XCZCVGRODNYAOI-NWDGAFQWSA-N 1 2 332.408 0.855 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(OCC)no3)C2)C1=O ZINC001015301977 764332904 /nfs/dbraw/zinc/33/29/04/764332904.db2.gz ZXFYYTCBXXETIA-OLZOCXBDSA-N 1 2 348.403 0.664 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cc(OCC)no3)C2)C1=O ZINC001015301977 764332913 /nfs/dbraw/zinc/33/29/13/764332913.db2.gz ZXFYYTCBXXETIA-OLZOCXBDSA-N 1 2 348.403 0.664 20 30 ECEDLO C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001047434967 764335781 /nfs/dbraw/zinc/33/57/81/764335781.db2.gz CTFRPKOWXWTZFJ-QEJZJMRPSA-N 1 2 338.839 0.702 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC001017621052 768207225 /nfs/dbraw/zinc/20/72/25/768207225.db2.gz KKXLEAYKJGZSKJ-OKILXGFUSA-N 1 2 325.368 0.940 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC001017621052 768207227 /nfs/dbraw/zinc/20/72/27/768207227.db2.gz KKXLEAYKJGZSKJ-OKILXGFUSA-N 1 2 325.368 0.940 20 30 ECEDLO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)c3ccccc3[nH]2)C1 ZINC001047446832 764372145 /nfs/dbraw/zinc/37/21/45/764372145.db2.gz DZEGGCJDXHPPEO-RDJZCZTQSA-N 1 2 327.384 0.831 20 30 ECEDLO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)c3ccccc3[nH]2)C1 ZINC001047446832 764372148 /nfs/dbraw/zinc/37/21/48/764372148.db2.gz DZEGGCJDXHPPEO-RDJZCZTQSA-N 1 2 327.384 0.831 20 30 ECEDLO Cc1n[nH]cc1C(=O)N(C)[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047478263 764460287 /nfs/dbraw/zinc/46/02/87/764460287.db2.gz QXFKUILHQPHVKF-IRXDYDNUSA-N 1 2 339.399 0.907 20 30 ECEDLO Cc1n[nH]cc1C(=O)N(C)[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047478263 764460291 /nfs/dbraw/zinc/46/02/91/764460291.db2.gz QXFKUILHQPHVKF-IRXDYDNUSA-N 1 2 339.399 0.907 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3cccs3)n[nH]2)C1 ZINC001047537560 764626934 /nfs/dbraw/zinc/62/69/34/764626934.db2.gz QJNNQRSFJCTSRN-KBPBESRZSA-N 1 2 330.413 0.889 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3cccs3)n[nH]2)C1 ZINC001047537560 764626940 /nfs/dbraw/zinc/62/69/40/764626940.db2.gz QJNNQRSFJCTSRN-KBPBESRZSA-N 1 2 330.413 0.889 20 30 ECEDLO C=CCn1cc(C(=O)N(C)[C@H]2C[N@H+](C/C=C/Cl)C[C@@H]2O)nn1 ZINC001047553916 764678708 /nfs/dbraw/zinc/67/87/08/764678708.db2.gz DFMKGHSCLKJNAJ-WWKJKZQJSA-N 1 2 325.800 0.334 20 30 ECEDLO C=CCn1cc(C(=O)N(C)[C@H]2C[N@@H+](C/C=C/Cl)C[C@@H]2O)nn1 ZINC001047553916 764678713 /nfs/dbraw/zinc/67/87/13/764678713.db2.gz DFMKGHSCLKJNAJ-WWKJKZQJSA-N 1 2 325.800 0.334 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sc(N(C)C)nc2C)C1 ZINC001047554395 764681322 /nfs/dbraw/zinc/68/13/22/764681322.db2.gz FPJFWMLKYDVAIM-STQMWFEESA-N 1 2 336.461 0.658 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sc(N(C)C)nc2C)C1 ZINC001047554395 764681325 /nfs/dbraw/zinc/68/13/25/764681325.db2.gz FPJFWMLKYDVAIM-STQMWFEESA-N 1 2 336.461 0.658 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](O)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001106080450 764709653 /nfs/dbraw/zinc/70/96/53/764709653.db2.gz NFAGDINKCJDASK-UGSOOPFHSA-N 1 2 347.463 0.956 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](O)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106080450 764709659 /nfs/dbraw/zinc/70/96/59/764709659.db2.gz NFAGDINKCJDASK-UGSOOPFHSA-N 1 2 347.463 0.956 20 30 ECEDLO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]cc2Br)C1 ZINC001047567548 764714624 /nfs/dbraw/zinc/71/46/24/764714624.db2.gz LTRXJGPCHMRBHF-QWRGUYRKSA-N 1 2 341.209 0.313 20 30 ECEDLO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]cc2Br)C1 ZINC001047567548 764714627 /nfs/dbraw/zinc/71/46/27/764714627.db2.gz LTRXJGPCHMRBHF-QWRGUYRKSA-N 1 2 341.209 0.313 20 30 ECEDLO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001052547958 764732787 /nfs/dbraw/zinc/73/27/87/764732787.db2.gz LAYAEOVLTKDDFM-UKRRQHHQSA-N 1 2 328.416 0.587 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H]1C ZINC001089026311 764793300 /nfs/dbraw/zinc/79/33/00/764793300.db2.gz DAJBOXMBAIGZCK-MNOVXSKESA-N 1 2 328.800 0.212 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H]1C ZINC001089026311 764793306 /nfs/dbraw/zinc/79/33/06/764793306.db2.gz DAJBOXMBAIGZCK-MNOVXSKESA-N 1 2 328.800 0.212 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CCC(C)C)c2C)C1 ZINC001047589409 764794205 /nfs/dbraw/zinc/79/42/05/764794205.db2.gz IAZGGAUJERYFCN-IRXDYDNUSA-N 1 2 332.448 0.988 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CCC(C)C)c2C)C1 ZINC001047589409 764794213 /nfs/dbraw/zinc/79/42/13/764794213.db2.gz IAZGGAUJERYFCN-IRXDYDNUSA-N 1 2 332.448 0.988 20 30 ECEDLO C#CCOCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001052591550 764812153 /nfs/dbraw/zinc/81/21/53/764812153.db2.gz CHIWAJGLYQTGMS-CABCVRRESA-N 1 2 332.404 0.134 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001015544217 764920793 /nfs/dbraw/zinc/92/07/93/764920793.db2.gz DJMQJXBQSDQUAA-CYBMUJFWSA-N 1 2 341.375 0.095 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC001015544217 764920798 /nfs/dbraw/zinc/92/07/98/764920798.db2.gz DJMQJXBQSDQUAA-CYBMUJFWSA-N 1 2 341.375 0.095 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccc(C#C)cn3)C2)nn1 ZINC001098774009 764927280 /nfs/dbraw/zinc/92/72/80/764927280.db2.gz LREOMUGKFPXGRB-MRXNPFEDSA-N 1 2 334.383 0.464 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001099224676 768270173 /nfs/dbraw/zinc/27/01/73/768270173.db2.gz MHKCHFSLHJBGKS-JMJZKYOTSA-N 1 2 330.314 0.454 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](C)OCCOCC)C2)nn1 ZINC001098785624 768276057 /nfs/dbraw/zinc/27/60/57/768276057.db2.gz WDUKCDVLSGFEFJ-GOEBONIOSA-N 1 2 349.435 0.216 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CS(C)(=O)=O)C1 ZINC001053066686 765541066 /nfs/dbraw/zinc/54/10/66/765541066.db2.gz CAPKYGZPZNHJGE-HUUCEWRRSA-N 1 2 326.462 0.757 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CS(C)(=O)=O)C1 ZINC001053066686 765541069 /nfs/dbraw/zinc/54/10/69/765541069.db2.gz CAPKYGZPZNHJGE-HUUCEWRRSA-N 1 2 326.462 0.757 20 30 ECEDLO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cc3nnc[nH]3)C2)cc1C#N ZINC001015968062 765635414 /nfs/dbraw/zinc/63/54/14/765635414.db2.gz PLFBEPXIGMFAAN-AWEZNQCLSA-N 1 2 340.387 0.618 20 30 ECEDLO COc1ccc(C[N@H+]2CC[C@H](NC(=O)Cc3nnc[nH]3)C2)cc1C#N ZINC001015968062 765635418 /nfs/dbraw/zinc/63/54/18/765635418.db2.gz PLFBEPXIGMFAAN-AWEZNQCLSA-N 1 2 340.387 0.618 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1CNC(=O)C#CC1CC1 ZINC001053155288 765669129 /nfs/dbraw/zinc/66/91/29/765669129.db2.gz HQPZHXURPKOMJF-GOEBONIOSA-N 1 2 342.443 0.977 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(OC)nn3)C2)cn1 ZINC001016025895 765730120 /nfs/dbraw/zinc/73/01/20/765730120.db2.gz CEUYOHBARXLHTN-OAHLLOKOSA-N 1 2 337.383 0.866 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(OC)nn3)C2)cn1 ZINC001016025895 765730123 /nfs/dbraw/zinc/73/01/23/765730123.db2.gz CEUYOHBARXLHTN-OAHLLOKOSA-N 1 2 337.383 0.866 20 30 ECEDLO N#Cc1ccc(NC[C@H](O)CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)nc1 ZINC001106104519 765750713 /nfs/dbraw/zinc/75/07/13/765750713.db2.gz NKIGOLLERJSZMF-STQMWFEESA-N 1 2 340.387 0.685 20 30 ECEDLO Cn1c[nH+]cc1CN1CC2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 ZINC001053210151 765767878 /nfs/dbraw/zinc/76/78/78/765767878.db2.gz WLHRCQRXWYBNSZ-UHFFFAOYSA-N 1 2 340.387 0.347 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3c(C)nn(C)c3F)C2)C1=O ZINC001016131019 765826372 /nfs/dbraw/zinc/82/63/72/765826372.db2.gz NJECDXRWGSILIA-QWHCGFSZSA-N 1 2 349.410 0.459 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3c(C)nn(C)c3F)C2)C1=O ZINC001016131019 765826379 /nfs/dbraw/zinc/82/63/79/765826379.db2.gz NJECDXRWGSILIA-QWHCGFSZSA-N 1 2 349.410 0.459 20 30 ECEDLO COc1cc[nH+]c(CN2CC3(C2)CN(C(=O)C#CC2CC2)CCO3)c1 ZINC001053250930 765841588 /nfs/dbraw/zinc/84/15/88/765841588.db2.gz UHGUZVDANGPKOE-UHFFFAOYSA-N 1 2 341.411 0.917 20 30 ECEDLO CC#CCN1CC2(C1)CN(C(=O)[C@@H]1CCn3c[nH+]cc3C1)CCO2 ZINC001053312129 765950374 /nfs/dbraw/zinc/95/03/74/765950374.db2.gz HJJGBUGLKNWSFT-OAHLLOKOSA-N 1 2 328.416 0.382 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC000993177791 768338992 /nfs/dbraw/zinc/33/89/92/768338992.db2.gz BOBHUSHWSDWQDR-JKIFEVAISA-N 1 2 329.404 0.740 20 30 ECEDLO C#CCCN1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CCO2 ZINC001053434915 766126465 /nfs/dbraw/zinc/12/64/65/766126465.db2.gz CZQFBSPLDNVBGN-HUUCEWRRSA-N 1 2 328.416 0.460 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O)CCO2 ZINC001053481812 766210805 /nfs/dbraw/zinc/21/08/05/766210805.db2.gz HUGGIMFYTORACJ-UHFFFAOYSA-N 1 2 348.403 0.228 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cnoc3)C2)s1 ZINC001077555211 766399292 /nfs/dbraw/zinc/39/92/92/766399292.db2.gz CLENUAXXYOGKCK-ZIAGYGMSSA-N 1 2 332.385 0.512 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cnoc3)C2)s1 ZINC001077555211 766399302 /nfs/dbraw/zinc/39/93/02/766399302.db2.gz CLENUAXXYOGKCK-ZIAGYGMSSA-N 1 2 332.385 0.512 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnc3[nH]c(=O)[nH]c3c1)O2 ZINC001053620139 766452747 /nfs/dbraw/zinc/45/27/47/766452747.db2.gz GXQZDKCVFBZRPK-LBPRGKRZSA-N 1 2 343.387 0.813 20 30 ECEDLO C=CCC(C)(C)C(=O)NC[C@@H](O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106129847 766458089 /nfs/dbraw/zinc/45/80/89/766458089.db2.gz NCKQTGUKKTWSPS-GFCCVEGCSA-N 1 2 336.440 0.737 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCN(C(N)=O)C1)O2 ZINC001053625708 766466291 /nfs/dbraw/zinc/46/62/91/766466291.db2.gz CTQXOCSJKDKTHW-ZIAGYGMSSA-N 1 2 336.436 0.313 20 30 ECEDLO N#Cc1nc(NC[C@@H](O)CNC(=O)Cc2c[nH]c[nH+]2)sc1Cl ZINC001106130201 766470101 /nfs/dbraw/zinc/47/01/01/766470101.db2.gz ROGRTHQVINTPHO-QMMMGPOBSA-N 1 2 340.796 0.523 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCc2sc(C[NH2+][C@H]3CCNC3=O)nc2C1 ZINC001089273928 766470684 /nfs/dbraw/zinc/47/06/84/766470684.db2.gz KNRMRGWZXPYXMW-UWVGGRQHSA-N 1 2 333.417 0.166 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c(C)c(C)nn(C)c1=O)O2 ZINC001053642105 766501042 /nfs/dbraw/zinc/50/10/42/766501042.db2.gz WVHXJRRXNNNVCS-AWEZNQCLSA-N 1 2 346.431 0.546 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccoc1CC(N)=O)O2 ZINC001053654313 766520463 /nfs/dbraw/zinc/52/04/63/766520463.db2.gz IQSQRZVIJAMRAY-GFCCVEGCSA-N 1 2 333.388 0.457 20 30 ECEDLO Cc1nc(N(C)C)nc(NC[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)[nH+]1 ZINC001053656210 766523726 /nfs/dbraw/zinc/52/37/26/766523726.db2.gz MHTRELYOVQHLKY-DMDPSCGWSA-N 1 2 331.424 0.912 20 30 ECEDLO Cn1nnnc1C[NH+]1CCC2(C[C@H]2NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001016577989 766528398 /nfs/dbraw/zinc/52/83/98/766528398.db2.gz BPHODMYTMKDLAL-CYBMUJFWSA-N 1 2 340.391 0.194 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CC(=O)N(CCC)C1)O2 ZINC001053670575 766549740 /nfs/dbraw/zinc/54/97/40/766549740.db2.gz QUFQZUCEPXNFRZ-HUUCEWRRSA-N 1 2 335.448 0.781 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC3(C[NH+](CCOC)C3)O2)nn1 ZINC001053676369 766559069 /nfs/dbraw/zinc/55/90/69/766559069.db2.gz AHHFFBVVHKVAMH-CYBMUJFWSA-N 1 2 335.408 0.074 20 30 ECEDLO C[C@H](CC(=O)NC[C@@H](O)CNc1ccc(C#N)cn1)n1cc[nH+]c1 ZINC001106131419 766578691 /nfs/dbraw/zinc/57/86/91/766578691.db2.gz ATTZYTRBXOBGTF-OCCSQVGLSA-N 1 2 328.376 0.690 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC3(C[NH+](CCOC)C3)O2)cn1 ZINC001053691142 766598812 /nfs/dbraw/zinc/59/88/12/766598812.db2.gz SDSAZZLFIUFXKO-INIZCTEOSA-N 1 2 329.400 0.673 20 30 ECEDLO Cc1ccnc(C[N@H+]2CC[C@@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)n1 ZINC001046012563 766639512 /nfs/dbraw/zinc/63/95/12/766639512.db2.gz PMCMBYXWAYFJFV-GOEBONIOSA-N 1 2 342.447 0.663 20 30 ECEDLO Cc1ccnc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)n1 ZINC001046012563 766639518 /nfs/dbraw/zinc/63/95/18/766639518.db2.gz PMCMBYXWAYFJFV-GOEBONIOSA-N 1 2 342.447 0.663 20 30 ECEDLO CN1C[C@H](C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)CC1=O ZINC001031709198 766662868 /nfs/dbraw/zinc/66/28/68/766662868.db2.gz LFOBPNYSRWQTLM-MRXNPFEDSA-N 1 2 343.402 0.704 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C3CC3)no2)C[C@H]1OC ZINC001212262390 766687651 /nfs/dbraw/zinc/68/76/51/766687651.db2.gz NAOPNDJGPNWEQP-IAGOWNOFSA-N 1 2 347.415 0.907 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C3CC3)no2)C[C@H]1OC ZINC001212262390 766687656 /nfs/dbraw/zinc/68/76/56/766687656.db2.gz NAOPNDJGPNWEQP-IAGOWNOFSA-N 1 2 347.415 0.907 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@H]3CCCc4cn[nH]c43)CC2)C1 ZINC001046029935 766695735 /nfs/dbraw/zinc/69/57/35/766695735.db2.gz GJDUDRIYHBVTBK-CVEARBPZSA-N 1 2 342.447 0.572 20 30 ECEDLO C#Cc1cncc(C(=O)NC2CC(N(C)C(=O)Cn3cc[nH+]c3)C2)c1 ZINC001016684838 766725001 /nfs/dbraw/zinc/72/50/01/766725001.db2.gz DYRQQKIWZXZZDD-UHFFFAOYSA-N 1 2 337.383 0.679 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@H]3CCc4nccn4C3)CC2)C1 ZINC001046040043 766745261 /nfs/dbraw/zinc/74/52/61/766745261.db2.gz DQPYMSIRBMRYDF-JKSUJKDBSA-N 1 2 342.447 0.188 20 30 ECEDLO C[C@@H](CC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1)c1cnn(C)c1 ZINC001046045948 766772878 /nfs/dbraw/zinc/77/28/78/766772878.db2.gz RSINEEITHQMTCW-RDJZCZTQSA-N 1 2 344.463 0.656 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)C3(C4CC4)CCOCC3)CC2)C1 ZINC001046048567 766780570 /nfs/dbraw/zinc/78/05/70/766780570.db2.gz ZGEAVDIARCNONA-KRWDZBQOSA-N 1 2 346.475 0.935 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3ccc4n[nH]cc4c3)CC2)C1 ZINC001046054073 766799036 /nfs/dbraw/zinc/79/90/36/766799036.db2.gz IFNDLQJKZYXQDL-INIZCTEOSA-N 1 2 338.415 0.919 20 30 ECEDLO C[C@@H](Oc1cccnc1)C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046061152 766827665 /nfs/dbraw/zinc/82/76/65/766827665.db2.gz JIVNTHHLQBZRIU-HZPDHXFCSA-N 1 2 343.431 0.591 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3C[C@H]3c3cccnc3)CC2)C1 ZINC001046067596 766861834 /nfs/dbraw/zinc/86/18/34/766861834.db2.gz QJNIBLGIKQBGDV-FGTMMUONSA-N 1 2 339.443 0.927 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cnc4cccnn34)CC2)C1 ZINC001046070417 766874036 /nfs/dbraw/zinc/87/40/36/766874036.db2.gz NSWYERWVPMLDKQ-CQSZACIVSA-N 1 2 339.403 0.085 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc(N(C)C)cn1)CO2 ZINC001053800995 766883813 /nfs/dbraw/zinc/88/38/13/766883813.db2.gz BDYYBTIPZJLZQN-CYBMUJFWSA-N 1 2 329.404 0.139 20 30 ECEDLO C#CCOc1ccc(C(=O)NC[C@@H](O)CNc2cc[nH+]c(C)n2)cc1 ZINC001106134358 766886908 /nfs/dbraw/zinc/88/69/08/766886908.db2.gz TVBRFXUSUNVXEA-HNNXBMFYSA-N 1 2 340.383 1.000 20 30 ECEDLO C#CCN1CC2(C1)C[C@@H](NC(=O)c1cc([C@H]3CCC[N@H+]3C)n[nH]1)CO2 ZINC001053805205 766894709 /nfs/dbraw/zinc/89/47/09/766894709.db2.gz MSVPOVIFCAQMRH-CZUORRHYSA-N 1 2 343.431 0.383 20 30 ECEDLO C#CCN1CC2(C1)C[C@@H](NC(=O)c1cc([C@H]3CCC[N@@H+]3C)n[nH]1)CO2 ZINC001053805205 766894718 /nfs/dbraw/zinc/89/47/18/766894718.db2.gz MSVPOVIFCAQMRH-CZUORRHYSA-N 1 2 343.431 0.383 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nnn(C(C)(C)C)n1)CO2 ZINC001053807211 766899270 /nfs/dbraw/zinc/89/92/70/766899270.db2.gz DUBLTPBZQQSNND-GFCCVEGCSA-N 1 2 332.408 0.025 20 30 ECEDLO CC(C)n1cc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)cn1 ZINC001046076243 766902599 /nfs/dbraw/zinc/90/25/99/766902599.db2.gz DIAYMILNWLNKNX-INIZCTEOSA-N 1 2 330.436 0.820 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3c(c1)NC(=O)C3)CO2 ZINC001053817086 766920485 /nfs/dbraw/zinc/92/04/85/766920485.db2.gz FAFXIDPHODNCAQ-OAHLLOKOSA-N 1 2 339.395 0.778 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@H]3Cc4cccnc4C3)CC2)C1 ZINC001046082499 766921572 /nfs/dbraw/zinc/92/15/72/766921572.db2.gz XHGFBGYUJZDIOF-IRXDYDNUSA-N 1 2 339.443 0.538 20 30 ECEDLO CCc1nc(CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)cs1 ZINC001046086906 766929546 /nfs/dbraw/zinc/92/95/46/766929546.db2.gz QZCAXZULSPLGBB-OAHLLOKOSA-N 1 2 347.488 0.990 20 30 ECEDLO C=CCC1(C(=O)NCC2(O)CN(C(=O)Cc3[nH]cc[nH+]3)C2)CCC1 ZINC001046120344 766949850 /nfs/dbraw/zinc/94/98/50/766949850.db2.gz WREFBKDXXZTWRG-UHFFFAOYSA-N 1 2 332.404 0.388 20 30 ECEDLO CC#CCN1CC2(C1)C[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)CO2 ZINC001053845598 767000779 /nfs/dbraw/zinc/00/07/79/767000779.db2.gz SXZALSYGMXIOTD-HNNXBMFYSA-N 1 2 330.432 0.909 20 30 ECEDLO C=CCOc1ccccc1C(=O)N[C@@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053849666 767013503 /nfs/dbraw/zinc/01/35/03/767013503.db2.gz QCHMOFKBQJVTKF-AWEZNQCLSA-N 1 2 332.400 0.817 20 30 ECEDLO Cn1ncc(C[N@@H+]2CC[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@H]32)n1 ZINC001042016542 782603407 /nfs/dbraw/zinc/60/34/07/782603407.db2.gz QOWQELKDUPLRBF-MLGOLLRUSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1ncc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@H]32)n1 ZINC001042016542 782603412 /nfs/dbraw/zinc/60/34/12/782603412.db2.gz QOWQELKDUPLRBF-MLGOLLRUSA-N 1 2 339.403 0.751 20 30 ECEDLO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(=O)c(OC)co1)CO2 ZINC001053871516 767091695 /nfs/dbraw/zinc/09/16/95/767091695.db2.gz GIMRYRMBARVCCR-LBPRGKRZSA-N 1 2 334.372 0.798 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3nc(C)nn3C1)CO2 ZINC001053878871 767127066 /nfs/dbraw/zinc/12/70/66/767127066.db2.gz LHVSQAUSKARUAK-LSDHHAIUSA-N 1 2 343.431 0.132 20 30 ECEDLO C[C@]1(NC(=O)C2CS(=O)(=O)C2)CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001046342209 767157406 /nfs/dbraw/zinc/15/74/06/767157406.db2.gz QLOFULNGZATMHZ-KRWDZBQOSA-N 1 2 347.440 0.683 20 30 ECEDLO C[C@]1(NC(=O)C2CS(=O)(=O)C2)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001046342209 767157407 /nfs/dbraw/zinc/15/74/07/767157407.db2.gz QLOFULNGZATMHZ-KRWDZBQOSA-N 1 2 347.440 0.683 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c2)[C@H](OC)C1 ZINC001212307095 767195593 /nfs/dbraw/zinc/19/55/93/767195593.db2.gz VAHUGYZZWDUMBY-HZPDHXFCSA-N 1 2 348.447 0.868 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)c2cc[nH]c2)[C@H](OC)C1 ZINC001212307095 767195595 /nfs/dbraw/zinc/19/55/95/767195595.db2.gz VAHUGYZZWDUMBY-HZPDHXFCSA-N 1 2 348.447 0.868 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ncn(C(C)(C)C)n1)CO2 ZINC001053924471 767373980 /nfs/dbraw/zinc/37/39/80/767373980.db2.gz UMDVASVAXMIXBW-ZDUSSCGKSA-N 1 2 331.420 0.630 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2cnnn2CC)C1 ZINC001046632089 767404275 /nfs/dbraw/zinc/40/42/75/767404275.db2.gz REVCUGBUVNRZJV-HLLBOEOZSA-N 1 2 333.436 0.970 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2cnnn2CC)C1 ZINC001046632089 767404282 /nfs/dbraw/zinc/40/42/82/767404282.db2.gz REVCUGBUVNRZJV-HLLBOEOZSA-N 1 2 333.436 0.970 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2cnnn2CC)C1 ZINC001046632090 767404671 /nfs/dbraw/zinc/40/46/71/767404671.db2.gz REVCUGBUVNRZJV-VYDXJSESSA-N 1 2 333.436 0.970 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2cnnn2CC)C1 ZINC001046632090 767404678 /nfs/dbraw/zinc/40/46/78/767404678.db2.gz REVCUGBUVNRZJV-VYDXJSESSA-N 1 2 333.436 0.970 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C(=O)N1CCC(C)CC1)CO2 ZINC001053948641 767430241 /nfs/dbraw/zinc/43/02/41/767430241.db2.gz POWFSYXQLRCJHJ-HNNXBMFYSA-N 1 2 333.432 0.228 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1nnnc1C(C)C)CO2 ZINC001053949406 767432203 /nfs/dbraw/zinc/43/22/03/767432203.db2.gz GNGQJMMOUFKXBW-CYBMUJFWSA-N 1 2 334.424 0.332 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3cc(C)n(C)n3)C2)nn1 ZINC001046680768 767469048 /nfs/dbraw/zinc/46/90/48/767469048.db2.gz HVIHSUDFCPLIPV-KRWDZBQOSA-N 1 2 343.435 0.900 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@H+](Cc3cc(C)n(C)n3)C2)nn1 ZINC001046680768 767469052 /nfs/dbraw/zinc/46/90/52/767469052.db2.gz HVIHSUDFCPLIPV-KRWDZBQOSA-N 1 2 343.435 0.900 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1csc(COC)n1)CO2 ZINC001053977657 767512900 /nfs/dbraw/zinc/51/29/00/767512900.db2.gz YTCMKZCRSABLIP-AWEZNQCLSA-N 1 2 349.456 0.815 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001053985736 767535466 /nfs/dbraw/zinc/53/54/66/767535466.db2.gz XZXLFEOECYUCGK-UONOGXRCSA-N 1 2 345.399 0.048 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc(NC(N)=O)c1)CO2 ZINC001054003607 767569666 /nfs/dbraw/zinc/56/96/66/767569666.db2.gz XIFFGDVQLWIVJQ-HNNXBMFYSA-N 1 2 342.399 0.774 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC(=O)N1C ZINC001054049650 767649098 /nfs/dbraw/zinc/64/90/98/767649098.db2.gz DOOZNERTESTUNW-IAGOWNOFSA-N 1 2 325.412 0.784 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC(=O)N1C ZINC001054049650 767649101 /nfs/dbraw/zinc/64/91/01/767649101.db2.gz DOOZNERTESTUNW-IAGOWNOFSA-N 1 2 325.412 0.784 20 30 ECEDLO C=CCn1cc(C(=O)NC2CN(Cc3cc(OC)cc[nH+]3)C2)nn1 ZINC001031070158 767805507 /nfs/dbraw/zinc/80/55/07/767805507.db2.gz RIHNEKSKOBXNML-UHFFFAOYSA-N 1 2 328.376 0.482 20 30 ECEDLO N#Cc1ccc(N[C@@H]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]23)nn1 ZINC001060534587 768556878 /nfs/dbraw/zinc/55/68/78/768556878.db2.gz BWOKWEPEENOUEF-BPLDGKMQSA-N 1 2 337.387 0.894 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2nnnn2CC1 ZINC001017977782 768574534 /nfs/dbraw/zinc/57/45/34/768574534.db2.gz HSTTWAKXLYNDTJ-SOUVJXGZSA-N 1 2 328.420 0.324 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2nnnn2CC1 ZINC001017977782 768574537 /nfs/dbraw/zinc/57/45/37/768574537.db2.gz HSTTWAKXLYNDTJ-SOUVJXGZSA-N 1 2 328.420 0.324 20 30 ECEDLO C[C@H]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001018072206 768686373 /nfs/dbraw/zinc/68/63/73/768686373.db2.gz WUMWSFYGNUHXII-WCQYABFASA-N 1 2 340.387 0.961 20 30 ECEDLO C=CCOCC(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC001055248584 768706409 /nfs/dbraw/zinc/70/64/09/768706409.db2.gz TYKABZWBMSTSGI-OKILXGFUSA-N 1 2 332.404 0.082 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N(CC)CCNc1[nH+]cnc2c1cnn2C ZINC001106744064 768816142 /nfs/dbraw/zinc/81/61/42/768816142.db2.gz DRPVYZFDUUUADM-INIZCTEOSA-N 1 2 332.408 0.951 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001055381031 768839284 /nfs/dbraw/zinc/83/92/84/768839284.db2.gz PSGJARWASBUWFP-SOUVJXGZSA-N 1 2 332.404 0.391 20 30 ECEDLO CCN(CCNc1ccc(C#N)nn1)C(=O)CCc1c[nH+]cn1C ZINC001106814052 769106333 /nfs/dbraw/zinc/10/63/33/769106333.db2.gz JPDRXLMNGIJFPN-UHFFFAOYSA-N 1 2 327.392 0.975 20 30 ECEDLO C=CCN1CC[C@H](N2C[C@H]3CC[C@@H](C2)N3C(=O)Cn2cc[nH+]c2)C1=O ZINC001018337672 769129606 /nfs/dbraw/zinc/12/96/06/769129606.db2.gz MCAFXKWUNDIWNM-XHSDSOJGSA-N 1 2 343.431 0.345 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)CSC)C2)CC1 ZINC001018353311 769167451 /nfs/dbraw/zinc/16/74/51/769167451.db2.gz DGQHRBYQXNNQJP-CQSZACIVSA-N 1 2 325.478 0.918 20 30 ECEDLO C=CCC(C)(C)C(=O)NCC[NH+]1CCC(NC(=O)c2cnn[nH]2)CC1 ZINC001055578171 769171390 /nfs/dbraw/zinc/17/13/90/769171390.db2.gz ZNAVBNUUUQDJDO-UHFFFAOYSA-N 1 2 348.451 0.717 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccon3)C2)CC1 ZINC001018359682 769191282 /nfs/dbraw/zinc/19/12/82/769191282.db2.gz KDHNIIZMUWQHJZ-AWEZNQCLSA-N 1 2 332.404 0.857 20 30 ECEDLO C[C@@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001018364861 769206902 /nfs/dbraw/zinc/20/69/02/769206902.db2.gz UCPDFGLJBKNSSA-YPMHNXCESA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)CC2CC2)C1 ZINC000993629960 769442587 /nfs/dbraw/zinc/44/25/87/769442587.db2.gz DXWILJOCJZJWGZ-MRVWCRGKSA-N 1 2 329.404 0.790 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(C)=O)C2)c1 ZINC000993632545 769444225 /nfs/dbraw/zinc/44/42/25/769444225.db2.gz SHNZIANJVBHFLL-HZPDHXFCSA-N 1 2 337.383 0.541 20 30 ECEDLO C=C(Br)C[NH2+][C@H]1CCN(C(=O)CCc2nnc[nH]2)C1 ZINC001018686483 769760536 /nfs/dbraw/zinc/76/05/36/769760536.db2.gz HPZDBYAKMYIUSU-JTQLQIEISA-N 1 2 328.214 0.836 20 30 ECEDLO C=C(Br)C[NH2+][C@H]1CCN(C(=O)CCc2nc[nH]n2)C1 ZINC001018686483 769760546 /nfs/dbraw/zinc/76/05/46/769760546.db2.gz HPZDBYAKMYIUSU-JTQLQIEISA-N 1 2 328.214 0.836 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H]1C ZINC000993970059 769985239 /nfs/dbraw/zinc/98/52/39/769985239.db2.gz GSLPJCPCULNGER-CMPLNLGQSA-N 1 2 327.812 0.761 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H]1C ZINC000993970059 769985252 /nfs/dbraw/zinc/98/52/52/769985252.db2.gz GSLPJCPCULNGER-CMPLNLGQSA-N 1 2 327.812 0.761 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@H]1C ZINC000994168978 770239914 /nfs/dbraw/zinc/23/99/14/770239914.db2.gz QZZSUUBGKDQBKP-NEPJUHHUSA-N 1 2 342.827 0.650 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@H]1C ZINC000994168978 770239919 /nfs/dbraw/zinc/23/99/19/770239919.db2.gz QZZSUUBGKDQBKP-NEPJUHHUSA-N 1 2 342.827 0.650 20 30 ECEDLO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCCO2)o1 ZINC001078384166 782821239 /nfs/dbraw/zinc/82/12/39/782821239.db2.gz OSIKKIIZYCJXKG-CQSZACIVSA-N 1 2 344.375 0.599 20 30 ECEDLO N#Cc1cnc(N2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)cn1 ZINC001055940105 770297617 /nfs/dbraw/zinc/29/76/17/770297617.db2.gz FLSBWYVVQPTTJU-ZDUSSCGKSA-N 1 2 337.387 0.456 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H]1C ZINC000994217759 770324512 /nfs/dbraw/zinc/32/45/12/770324512.db2.gz XOIFASNZYHPFET-NWDGAFQWSA-N 1 2 342.827 0.602 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H]1C ZINC000994217759 770324526 /nfs/dbraw/zinc/32/45/26/770324526.db2.gz XOIFASNZYHPFET-NWDGAFQWSA-N 1 2 342.827 0.602 20 30 ECEDLO N#Cc1cc(C(=O)N2CC3(C2)CCN(C(=O)Cc2[nH]cc[nH+]2)C3)c[nH]1 ZINC001018957682 770389424 /nfs/dbraw/zinc/38/94/24/770389424.db2.gz YBHMRPZGRJRFEB-UHFFFAOYSA-N 1 2 338.371 0.527 20 30 ECEDLO C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001056031974 770617821 /nfs/dbraw/zinc/61/78/21/770617821.db2.gz FNBZZURGXPUAFH-QGZVFWFLSA-N 1 2 334.420 0.697 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C3(C)CCCCC3)[C@@H](O)C2)C1=O ZINC001083750659 770673742 /nfs/dbraw/zinc/67/37/42/770673742.db2.gz HTMHIMURZKRODW-OAGGEKHMSA-N 1 2 349.475 0.905 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C3(C)CCCCC3)[C@@H](O)C2)C1=O ZINC001083750659 770673749 /nfs/dbraw/zinc/67/37/49/770673749.db2.gz HTMHIMURZKRODW-OAGGEKHMSA-N 1 2 349.475 0.905 20 30 ECEDLO CC#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001056060547 770708967 /nfs/dbraw/zinc/70/89/67/770708967.db2.gz ZWZYQTOTBAQGLT-SFHVURJKSA-N 1 2 346.431 0.616 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N2CCN(c3cncc(C#N)n3)CC2)c[nH+]1 ZINC001056070104 770742988 /nfs/dbraw/zinc/74/29/88/770742988.db2.gz YGVFAFDSCQIKMS-UHFFFAOYSA-N 1 2 339.403 0.937 20 30 ECEDLO CC#CCCCC(=O)N1CCC[C@](CO)(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001056084717 770793712 /nfs/dbraw/zinc/79/37/12/770793712.db2.gz XYJIKBCKWFOIQJ-SFHVURJKSA-N 1 2 346.431 0.616 20 30 ECEDLO C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001056097646 770819366 /nfs/dbraw/zinc/81/93/66/770819366.db2.gz SSJZOSAOYNIUMF-SJKOYZFVSA-N 1 2 347.419 0.317 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C3CCC(=C)CC3)[C@@H](O)C2)C1=O ZINC001083754312 770907243 /nfs/dbraw/zinc/90/72/43/770907243.db2.gz KYCXVQUNSXZNGM-ZACQAIPSSA-N 1 2 347.459 0.681 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C3CCC(=C)CC3)[C@@H](O)C2)C1=O ZINC001083754312 770907247 /nfs/dbraw/zinc/90/72/47/770907247.db2.gz KYCXVQUNSXZNGM-ZACQAIPSSA-N 1 2 347.459 0.681 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC(C)CC3)C[C@@H]2O)C1 ZINC001083756337 770985502 /nfs/dbraw/zinc/98/55/02/770985502.db2.gz PERNNCHSISPFFC-CVEARBPZSA-N 1 2 349.475 0.763 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC(C)CC3)C[C@@H]2O)C1 ZINC001083756337 770985512 /nfs/dbraw/zinc/98/55/12/770985512.db2.gz PERNNCHSISPFFC-CVEARBPZSA-N 1 2 349.475 0.763 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)[nH]1 ZINC000994560782 771112760 /nfs/dbraw/zinc/11/27/60/771112760.db2.gz GZQODWKEGFQSKH-LLVKDONJSA-N 1 2 338.371 0.286 20 30 ECEDLO C=CCCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001056328802 771133175 /nfs/dbraw/zinc/13/31/75/771133175.db2.gz NKTAQDLDEABVHJ-XHSDSOJGSA-N 1 2 335.448 0.875 20 30 ECEDLO C=CCCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001056328802 771133176 /nfs/dbraw/zinc/13/31/76/771133176.db2.gz NKTAQDLDEABVHJ-XHSDSOJGSA-N 1 2 335.448 0.875 20 30 ECEDLO N#Cc1cncc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC001056329843 771135378 /nfs/dbraw/zinc/13/53/78/771135378.db2.gz DJSLQUSYHJLKQS-CVGURMSBSA-N 1 2 349.398 0.358 20 30 ECEDLO C[C@H](C[C@@H](C)Nc1ccnc(C#N)n1)NC(=O)CCn1cc[nH+]c1 ZINC001089444442 771202579 /nfs/dbraw/zinc/20/25/79/771202579.db2.gz PPBGFHCLYCLDRG-CHWSQXEVSA-N 1 2 327.392 0.752 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001019364950 771208624 /nfs/dbraw/zinc/20/86/24/771208624.db2.gz PPYFUDLZWXQYOL-YNEHKIRRSA-N 1 2 327.388 0.734 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001019364950 771208626 /nfs/dbraw/zinc/20/86/26/771208626.db2.gz PPYFUDLZWXQYOL-YNEHKIRRSA-N 1 2 327.388 0.734 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)cn1 ZINC000994602920 771284819 /nfs/dbraw/zinc/28/48/19/771284819.db2.gz QFKIPAOFMCZMSJ-CYBMUJFWSA-N 1 2 349.394 0.463 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001019457583 771316759 /nfs/dbraw/zinc/31/67/59/771316759.db2.gz STSAXNMJVKJWRZ-CABCVRRESA-N 1 2 344.415 0.604 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056527680 771355724 /nfs/dbraw/zinc/35/57/24/771355724.db2.gz VAQAJERZAXMDRB-RBSFLKMASA-N 1 2 344.415 0.582 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nc(C)no3)C2)nn1 ZINC001019494000 771359380 /nfs/dbraw/zinc/35/93/80/771359380.db2.gz WBBJAPNDKRHVOZ-LBPRGKRZSA-N 1 2 331.380 0.550 20 30 ECEDLO C[C@H](C#N)C(=O)NC[C@H]1CN(c2[nH+]cnc3c2cnn3C)CCCO1 ZINC001089529418 771407395 /nfs/dbraw/zinc/40/73/95/771407395.db2.gz JPSGPAZZCNIVFG-NEPJUHHUSA-N 1 2 343.391 0.234 20 30 ECEDLO N#Cc1ccc(N2CCCO[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)nn1 ZINC001089558299 771481716 /nfs/dbraw/zinc/48/17/16/771481716.db2.gz KXDOELPWYAJLTJ-AWEZNQCLSA-N 1 2 341.375 0.026 20 30 ECEDLO CN1CCOC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031622036 771484485 /nfs/dbraw/zinc/48/44/85/771484485.db2.gz SNHQLERWNIIPMY-HNNXBMFYSA-N 1 2 334.445 0.498 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](n2cc(C[NH2+]Cc3cnn(C)c3)nn2)C1 ZINC001089580321 771565364 /nfs/dbraw/zinc/56/53/64/771565364.db2.gz OGCVATVJKZFWFE-SWLSCSKDSA-N 1 2 342.407 0.234 20 30 ECEDLO CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001057059020 772012022 /nfs/dbraw/zinc/01/20/22/772012022.db2.gz GZZIWZGKQGGXLF-ZDUSSCGKSA-N 1 2 325.376 0.741 20 30 ECEDLO CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001057059020 772012025 /nfs/dbraw/zinc/01/20/25/772012025.db2.gz GZZIWZGKQGGXLF-ZDUSSCGKSA-N 1 2 325.376 0.741 20 30 ECEDLO Cc1cc(C#N)nc(N2CCCN(C(=O)Cc3c[nH+]cn3C)CC2)n1 ZINC001057157511 772188034 /nfs/dbraw/zinc/18/80/34/772188034.db2.gz JARNGIGINYKJMZ-UHFFFAOYSA-N 1 2 339.403 0.672 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCCN(c2cncc(C#N)n2)CC1 ZINC001057157304 772188130 /nfs/dbraw/zinc/18/81/30/772188130.db2.gz CYEYZNCUNCRAKJ-UHFFFAOYSA-N 1 2 325.376 0.363 20 30 ECEDLO CC(C)C#CC(=O)N(CCO)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001057524430 772716230 /nfs/dbraw/zinc/71/62/30/772716230.db2.gz FFVIVZUEXUFRDN-OAHLLOKOSA-N 1 2 334.420 0.431 20 30 ECEDLO CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001057524494 772716551 /nfs/dbraw/zinc/71/65/51/772716551.db2.gz HHIMZWCJNHVXCJ-CQSZACIVSA-N 1 2 346.431 0.426 20 30 ECEDLO CC(C)(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001057540545 772736408 /nfs/dbraw/zinc/73/64/08/772736408.db2.gz YFCPDNLDANKXKD-ZIAGYGMSSA-N 1 2 346.431 0.500 20 30 ECEDLO CC(C)(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001057540545 772736412 /nfs/dbraw/zinc/73/64/12/772736412.db2.gz YFCPDNLDANKXKD-ZIAGYGMSSA-N 1 2 346.431 0.500 20 30 ECEDLO C=C1CC(C)(C(=O)NCCN(CCO)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001057711775 772936857 /nfs/dbraw/zinc/93/68/57/772936857.db2.gz UIMPDJCTLPCILC-AWEZNQCLSA-N 1 2 348.447 0.882 20 30 ECEDLO C=C1CC(C)(C(=O)NCCN(CCO)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001057711775 772936862 /nfs/dbraw/zinc/93/68/62/772936862.db2.gz UIMPDJCTLPCILC-AWEZNQCLSA-N 1 2 348.447 0.882 20 30 ECEDLO C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001057712062 772937725 /nfs/dbraw/zinc/93/77/25/772937725.db2.gz XOAUCMYPGBZKEX-CQSZACIVSA-N 1 2 336.436 0.882 20 30 ECEDLO C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001057712062 772937729 /nfs/dbraw/zinc/93/77/29/772937729.db2.gz XOAUCMYPGBZKEX-CQSZACIVSA-N 1 2 336.436 0.882 20 30 ECEDLO CC(C)C[C@H](C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)n1cc[nH+]c1 ZINC001057887910 773135496 /nfs/dbraw/zinc/13/54/96/773135496.db2.gz ROFYVAXDZBIPSH-LSDHHAIUSA-N 1 2 349.435 0.567 20 30 ECEDLO CC#CCCCC(=O)NCCN(CCO)C(=O)CCc1c[nH]c[nH+]1 ZINC001057901255 773158732 /nfs/dbraw/zinc/15/87/32/773158732.db2.gz MBQDQTVDKYDPGN-UHFFFAOYSA-N 1 2 334.420 0.473 20 30 ECEDLO CC#CCCCC(=O)NCCN(CCO)C(=O)CCc1c[nH+]c[nH]1 ZINC001057901255 773158734 /nfs/dbraw/zinc/15/87/34/773158734.db2.gz MBQDQTVDKYDPGN-UHFFFAOYSA-N 1 2 334.420 0.473 20 30 ECEDLO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001057947018 773250567 /nfs/dbraw/zinc/25/05/67/773250567.db2.gz OLWSWOCDTAQHSU-CQSZACIVSA-N 1 2 348.447 0.595 20 30 ECEDLO C=CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001057947163 773251828 /nfs/dbraw/zinc/25/18/28/773251828.db2.gz RKWNREGSTYTNKY-HNNXBMFYSA-N 1 2 348.447 0.739 20 30 ECEDLO C=C(C)CCC(=O)NCCN(CCO)C(=O)Cc1c[nH+]ccc1OC ZINC001057971997 773313063 /nfs/dbraw/zinc/31/30/63/773313063.db2.gz LTOGTNPIULYCQH-UHFFFAOYSA-N 1 2 349.431 0.926 20 30 ECEDLO C=CCOCC(=O)NCCN(CCO)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001058035023 773396379 /nfs/dbraw/zinc/39/63/79/773396379.db2.gz PEYDNGOPYGTMMS-UHFFFAOYSA-N 1 2 346.387 0.316 20 30 ECEDLO C=CCCC1(C(=O)NCCN(CCO)C(=O)Cc2c[nH+]cn2C)CC1 ZINC001058157842 773658367 /nfs/dbraw/zinc/65/83/67/773658367.db2.gz JALPKMQXDUOCLO-UHFFFAOYSA-N 1 2 348.447 0.646 20 30 ECEDLO Cc1cc(C#N)nc(N2CCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001058171743 773695050 /nfs/dbraw/zinc/69/50/50/773695050.db2.gz HHDAUUXBWUJFIM-ZDUSSCGKSA-N 1 2 325.376 0.638 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001040625395 783129028 /nfs/dbraw/zinc/12/90/28/783129028.db2.gz MZLZUDJVXXKULC-UGSOOPFHSA-N 1 2 348.447 0.943 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)Cc1[nH]c[nH+]c1C ZINC001058263212 773872275 /nfs/dbraw/zinc/87/22/75/773872275.db2.gz AXYBKYWFLNMAJV-STQMWFEESA-N 1 2 336.436 0.656 20 30 ECEDLO C=C[C@H](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040629351 783134222 /nfs/dbraw/zinc/13/42/22/783134222.db2.gz JIJAOXGMOGZIND-DYVFJYSZSA-N 1 2 334.420 0.634 20 30 ECEDLO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001058305725 773942158 /nfs/dbraw/zinc/94/21/58/773942158.db2.gz FPLJJBBJWIJXGF-CYBMUJFWSA-N 1 2 336.436 0.738 20 30 ECEDLO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001058305725 773942162 /nfs/dbraw/zinc/94/21/62/773942162.db2.gz FPLJJBBJWIJXGF-CYBMUJFWSA-N 1 2 336.436 0.738 20 30 ECEDLO C=CC(C)(C)CC(=O)NC[C@]1(O)CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001039818363 783146307 /nfs/dbraw/zinc/14/63/07/783146307.db2.gz DSIRJYBHNGDQLQ-GOSISDBHSA-N 1 2 348.447 0.943 20 30 ECEDLO CCc1nc(C#N)cc(N2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)n1 ZINC001058402988 774114037 /nfs/dbraw/zinc/11/40/37/774114037.db2.gz CWCQWCLUGKEYHA-GFCCVEGCSA-N 1 2 339.403 0.582 20 30 ECEDLO N#Cc1nccc(N2CC[C@@H](NC(=O)[C@H]3CCc4c[nH+]cn4C3)C2)n1 ZINC001058481528 774273170 /nfs/dbraw/zinc/27/31/70/774273170.db2.gz UQCLPXHYXXHNEU-QWHCGFSZSA-N 1 2 337.387 0.502 20 30 ECEDLO CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001039830723 783168842 /nfs/dbraw/zinc/16/88/42/783168842.db2.gz KWUOUHPSKHSOFU-RDTXWAMCSA-N 1 2 346.431 0.327 20 30 ECEDLO CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001039830723 783168846 /nfs/dbraw/zinc/16/88/46/783168846.db2.gz KWUOUHPSKHSOFU-RDTXWAMCSA-N 1 2 346.431 0.327 20 30 ECEDLO C#CCCCCCC(=O)NCCN(CCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001058547366 774410850 /nfs/dbraw/zinc/41/08/50/774410850.db2.gz DQBUPBVEMWRWNL-UHFFFAOYSA-N 1 2 334.420 0.473 20 30 ECEDLO C=C1CCC(C(=O)NCCN(CCO)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001058547545 774411650 /nfs/dbraw/zinc/41/16/50/774411650.db2.gz LKVPPHZDBODJKZ-UHFFFAOYSA-N 1 2 334.420 0.636 20 30 ECEDLO COCc1noc(C[NH2+]C[C@@H]2CCCN2C(=O)c2cc(C#N)c[nH]2)n1 ZINC001044983940 774799170 /nfs/dbraw/zinc/79/91/70/774799170.db2.gz SNBQYGZVMZIION-LBPRGKRZSA-N 1 2 344.375 0.810 20 30 ECEDLO CC#CCCCC(=O)NCC1(O)CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001045003624 774823223 /nfs/dbraw/zinc/82/32/23/774823223.db2.gz ZEYYJHWAPXHBDQ-UHFFFAOYSA-N 1 2 332.404 0.225 20 30 ECEDLO CC#CCCCC(=O)NCC1(O)CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001045003624 774823229 /nfs/dbraw/zinc/82/32/29/774823229.db2.gz ZEYYJHWAPXHBDQ-UHFFFAOYSA-N 1 2 332.404 0.225 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)nn1 ZINC001045061651 774916815 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C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cn(CC)nc2C)CC1 ZINC001071004341 784380836 /nfs/dbraw/zinc/38/08/36/784380836.db2.gz BNJJKKXAWRUQON-UHFFFAOYSA-N 1 2 345.447 0.499 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)COc2cccnc2)CC1 ZINC001071008390 784395748 /nfs/dbraw/zinc/39/57/48/784395748.db2.gz XCFADDVPNJAUBW-UHFFFAOYSA-N 1 2 346.431 0.687 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)COc2cccnc2)CC1 ZINC001071008390 784395757 /nfs/dbraw/zinc/39/57/57/784395757.db2.gz XCFADDVPNJAUBW-UHFFFAOYSA-N 1 2 346.431 0.687 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(CC)nn2C)CC1 ZINC001071011634 784407242 /nfs/dbraw/zinc/40/72/42/784407242.db2.gz MXJNLFHHMSOZIK-UHFFFAOYSA-N 1 2 333.436 0.433 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(CC)nn2C)CC1 ZINC001071011634 784407248 /nfs/dbraw/zinc/40/72/48/784407248.db2.gz MXJNLFHHMSOZIK-UHFFFAOYSA-N 1 2 333.436 0.433 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)CCc3[nH]cc[nH+]3)C2)[nH]1 ZINC001070623238 784451870 /nfs/dbraw/zinc/45/18/70/784451870.db2.gz 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C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)C1(C(N)=O)CC1)C[C@H](C)O2 ZINC001071203804 784727711 /nfs/dbraw/zinc/72/77/11/784727711.db2.gz HXAMGAJRVGFMOK-SWLSCSKDSA-N 1 2 341.839 0.696 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1(C(N)=O)CC1)C[C@H](C)O2 ZINC001071203804 784727714 /nfs/dbraw/zinc/72/77/14/784727714.db2.gz HXAMGAJRVGFMOK-SWLSCSKDSA-N 1 2 341.839 0.696 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)C(C)(F)F)C2)C(=O)C1 ZINC001071251897 784839615 /nfs/dbraw/zinc/83/96/15/784839615.db2.gz KUAFURVWPWJDQO-ZDUSSCGKSA-N 1 2 327.375 0.800 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)C(C)(F)F)C2)C(=O)C1 ZINC001071251897 784839618 /nfs/dbraw/zinc/83/96/18/784839618.db2.gz KUAFURVWPWJDQO-ZDUSSCGKSA-N 1 2 327.375 0.800 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3cn[nH]c3)C2)C(=O)C1 ZINC001071253460 784843860 /nfs/dbraw/zinc/84/38/60/784843860.db2.gz MFSGRBDUKMYQNG-OAHLLOKOSA-N 1 2 329.404 0.182 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3cn[nH]c3)C2)C(=O)C1 ZINC001071253460 784843866 /nfs/dbraw/zinc/84/38/66/784843866.db2.gz MFSGRBDUKMYQNG-OAHLLOKOSA-N 1 2 329.404 0.182 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3cncnc3)C2)C(=O)C1 ZINC001071262633 784877262 /nfs/dbraw/zinc/87/72/62/784877262.db2.gz PLWDEDBANMMPDB-INIZCTEOSA-N 1 2 341.415 0.249 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3cncnc3)C2)C(=O)C1 ZINC001071262633 784877271 /nfs/dbraw/zinc/87/72/71/784877271.db2.gz PLWDEDBANMMPDB-INIZCTEOSA-N 1 2 341.415 0.249 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3ccns3)C2)C(=O)C1 ZINC001071265522 784887688 /nfs/dbraw/zinc/88/76/88/784887688.db2.gz LGWKVYHYJCIXAR-CQSZACIVSA-N 1 2 346.456 0.915 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3ccns3)C2)C(=O)C1 ZINC001071265522 784887690 /nfs/dbraw/zinc/88/76/90/784887690.db2.gz LGWKVYHYJCIXAR-CQSZACIVSA-N 1 2 346.456 0.915 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC[C@H](N2CC[N@@H+](C[C@@H](C)O)CC2=O)C1 ZINC001071269305 784899442 /nfs/dbraw/zinc/89/94/42/784899442.db2.gz PXPAVNQIJUBRJF-CABCVRRESA-N 1 2 337.464 0.715 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC[C@H](N2CC[N@H+](C[C@@H](C)O)CC2=O)C1 ZINC001071269305 784899447 /nfs/dbraw/zinc/89/94/47/784899447.db2.gz PXPAVNQIJUBRJF-CABCVRRESA-N 1 2 337.464 0.715 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](N2CC[N@@H+](CC)CC2=O)C1 ZINC001071274116 784912110 /nfs/dbraw/zinc/91/21/10/784912110.db2.gz PWLSIAPGFNJLEL-XHSDSOJGSA-N 1 2 335.448 0.733 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](N2CC[N@H+](CC)CC2=O)C1 ZINC001071274116 784912113 /nfs/dbraw/zinc/91/21/13/784912113.db2.gz PWLSIAPGFNJLEL-XHSDSOJGSA-N 1 2 335.448 0.733 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3nccs3)C2)C(=O)C1 ZINC001071275998 784918878 /nfs/dbraw/zinc/91/88/78/784918878.db2.gz WFKDYYVDYQMNKJ-AWEZNQCLSA-N 1 2 346.456 0.915 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3nccs3)C2)C(=O)C1 ZINC001071275998 784918883 /nfs/dbraw/zinc/91/88/83/784918883.db2.gz WFKDYYVDYQMNKJ-AWEZNQCLSA-N 1 2 346.456 0.915 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3nocc3C)C2)C(=O)C1 ZINC001071276834 784920441 /nfs/dbraw/zinc/92/04/41/784920441.db2.gz CKGORPSJPBGDDC-OAHLLOKOSA-N 1 2 344.415 0.755 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3nocc3C)C2)C(=O)C1 ZINC001071276834 784920446 /nfs/dbraw/zinc/92/04/46/784920446.db2.gz CKGORPSJPBGDDC-OAHLLOKOSA-N 1 2 344.415 0.755 20 30 ECEDLO C=CCCC(=O)N[C@@H]1COC2(CN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001068753034 791074340 /nfs/dbraw/zinc/07/43/40/791074340.db2.gz LDRKLQGXSBDGQJ-AWEZNQCLSA-N 1 2 346.431 0.805 20 30 ECEDLO C=CCOCC(=O)N1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001071809045 785136844 /nfs/dbraw/zinc/13/68/44/785136844.db2.gz PCXZYHPYYORKPE-UKRRQHHQSA-N 1 2 334.420 0.518 20 30 ECEDLO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001071874424 785252984 /nfs/dbraw/zinc/25/29/84/785252984.db2.gz JSNPENOHJCRRQL-IAQYHMDHSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001071874424 785252988 /nfs/dbraw/zinc/25/29/88/785252988.db2.gz JSNPENOHJCRRQL-IAQYHMDHSA-N 1 2 340.387 0.819 20 30 ECEDLO C=C(C)C[N@H+]1C[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC[C@@H]1C ZINC001071908085 785309187 /nfs/dbraw/zinc/30/91/87/785309187.db2.gz MMAYXAKPVIXSCJ-QWHCGFSZSA-N 1 2 344.419 0.616 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC[C@@H]1C ZINC001071908085 785309195 /nfs/dbraw/zinc/30/91/95/785309195.db2.gz MMAYXAKPVIXSCJ-QWHCGFSZSA-N 1 2 344.419 0.616 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CN2CCOCC2=O)CC[C@@H]1C ZINC001071572317 785324692 /nfs/dbraw/zinc/32/46/92/785324692.db2.gz UJXPUVYTLLJZKU-QWHCGFSZSA-N 1 2 329.828 0.567 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CN2CCOCC2=O)CC[C@@H]1C ZINC001071572317 785324700 /nfs/dbraw/zinc/32/47/00/785324700.db2.gz UJXPUVYTLLJZKU-QWHCGFSZSA-N 1 2 329.828 0.567 20 30 ECEDLO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001071922311 785340215 /nfs/dbraw/zinc/34/02/15/785340215.db2.gz SCFXXRDKYSZPHR-DOMZBBRYSA-N 1 2 340.387 0.750 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001072035407 785558220 /nfs/dbraw/zinc/55/82/20/785558220.db2.gz LJDVGWNHBACNSG-CABCVRRESA-N 1 2 330.432 0.975 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001072094816 785659887 /nfs/dbraw/zinc/65/98/87/785659887.db2.gz WQMITAIPQJHSCJ-JKSUJKDBSA-N 1 2 346.431 0.666 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001072101622 785671279 /nfs/dbraw/zinc/67/12/79/785671279.db2.gz QAEYBTJFPWPMFB-LSDHHAIUSA-N 1 2 332.404 0.276 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1NC(=O)CSCC#N ZINC001072316459 786029642 /nfs/dbraw/zinc/02/96/42/786029642.db2.gz CMJVMPYCAYFOFD-WCQYABFASA-N 1 2 335.433 0.562 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1NC(=O)CSCC#N ZINC001072316459 786029644 /nfs/dbraw/zinc/02/96/44/786029644.db2.gz CMJVMPYCAYFOFD-WCQYABFASA-N 1 2 335.433 0.562 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001072317520 786030945 /nfs/dbraw/zinc/03/09/45/786030945.db2.gz QHIGAUQGYMACRL-ZFWWWQNUSA-N 1 2 332.404 0.345 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001072317520 786030947 /nfs/dbraw/zinc/03/09/47/786030947.db2.gz QHIGAUQGYMACRL-ZFWWWQNUSA-N 1 2 332.404 0.345 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCc3cnn(C)c3C)C[C@@H]21 ZINC001074255349 786525404 /nfs/dbraw/zinc/52/54/04/786525404.db2.gz CPFDUXPEDGNKGN-ROUUACIJSA-N 1 2 344.459 0.986 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCc3cnn(C)c3C)C[C@@H]21 ZINC001074255349 786525408 /nfs/dbraw/zinc/52/54/08/786525408.db2.gz CPFDUXPEDGNKGN-ROUUACIJSA-N 1 2 344.459 0.986 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3ccn(C)n3)C[C@@H]21 ZINC001074260095 786535954 /nfs/dbraw/zinc/53/59/54/786535954.db2.gz SUVITEUGHARNRE-DLBZAZTESA-N 1 2 330.432 0.678 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3ccn(C)n3)C[C@@H]21 ZINC001074260095 786535959 /nfs/dbraw/zinc/53/59/59/786535959.db2.gz SUVITEUGHARNRE-DLBZAZTESA-N 1 2 330.432 0.678 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C[C@H]21 ZINC001074274834 786565672 /nfs/dbraw/zinc/56/56/72/786565672.db2.gz WAPGDDLRKDNNFU-HZPDHXFCSA-N 1 2 329.400 0.324 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C[C@H]21 ZINC001074274834 786565679 /nfs/dbraw/zinc/56/56/79/786565679.db2.gz WAPGDDLRKDNNFU-HZPDHXFCSA-N 1 2 329.400 0.324 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C[C@@H]21 ZINC001074289276 786603752 /nfs/dbraw/zinc/60/37/52/786603752.db2.gz QGGTXDNTQMMQGY-HOTGVXAUSA-N 1 2 344.415 0.063 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C[C@@H]21 ZINC001074289276 786603756 /nfs/dbraw/zinc/60/37/56/786603756.db2.gz QGGTXDNTQMMQGY-HOTGVXAUSA-N 1 2 344.415 0.063 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc4ncnn43)C[C@H]21 ZINC001074289227 786603943 /nfs/dbraw/zinc/60/39/43/786603943.db2.gz PQPOKGBGGGDEFR-CVEARBPZSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc4ncnn43)C[C@H]21 ZINC001074289227 786603948 /nfs/dbraw/zinc/60/39/48/786603948.db2.gz PQPOKGBGGGDEFR-CVEARBPZSA-N 1 2 339.399 0.668 20 30 ECEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3coc(C(N)=O)c3)C[C@@H]21 ZINC001074302678 786634097 /nfs/dbraw/zinc/63/40/97/786634097.db2.gz VCROBTILCSNYAG-KBPBESRZSA-N 1 2 333.388 0.870 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3coc(C(N)=O)c3)C[C@@H]21 ZINC001074302678 786634102 /nfs/dbraw/zinc/63/41/02/786634102.db2.gz VCROBTILCSNYAG-KBPBESRZSA-N 1 2 333.388 0.870 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnn4cccnc34)C[C@H]21 ZINC001074311774 786651429 /nfs/dbraw/zinc/65/14/29/786651429.db2.gz CEWTYRGUEIXVNZ-CVEARBPZSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnn4cccnc34)C[C@H]21 ZINC001074311774 786651434 /nfs/dbraw/zinc/65/14/34/786651434.db2.gz CEWTYRGUEIXVNZ-CVEARBPZSA-N 1 2 339.399 0.668 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@@H]3OCC[N@@H+](CCCO)[C@H]3C2)c1 ZINC001074335947 786699051 /nfs/dbraw/zinc/69/90/51/786699051.db2.gz HSJXNPONSZZNCQ-IRXDYDNUSA-N 1 2 329.400 0.361 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@@H]3OCC[N@H+](CCCO)[C@H]3C2)c1 ZINC001074335947 786699056 /nfs/dbraw/zinc/69/90/56/786699056.db2.gz HSJXNPONSZZNCQ-IRXDYDNUSA-N 1 2 329.400 0.361 20 30 ECEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cncc(OC)n3)C[C@@H]21 ZINC001074350829 786732549 /nfs/dbraw/zinc/73/25/49/786732549.db2.gz DQBYSTQTCSVSET-LSDHHAIUSA-N 1 2 332.404 0.977 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cncc(OC)n3)C[C@@H]21 ZINC001074350829 786732551 /nfs/dbraw/zinc/73/25/51/786732551.db2.gz DQBYSTQTCSVSET-LSDHHAIUSA-N 1 2 332.404 0.977 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@@H]3OCC[N@@H+](CCOC)[C@H]3C2)nn1 ZINC001074353390 786737339 /nfs/dbraw/zinc/73/73/39/786737339.db2.gz DQQQITGLMCMMCD-HOTGVXAUSA-N 1 2 349.435 0.416 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@@H]3OCC[N@H+](CCOC)[C@H]3C2)nn1 ZINC001074353390 786737343 /nfs/dbraw/zinc/73/73/43/786737343.db2.gz DQQQITGLMCMMCD-HOTGVXAUSA-N 1 2 349.435 0.416 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2CCCO[C@@H](CNC(=O)c3cn[nH]n3)C2)c1 ZINC001073674639 786940191 /nfs/dbraw/zinc/94/01/91/786940191.db2.gz JIDUTBRURARBPT-HNNXBMFYSA-N 1 2 340.387 0.697 20 30 ECEDLO N#Cc1cccc(C[N@H+]2CCCO[C@@H](CNC(=O)c3cn[nH]n3)C2)c1 ZINC001073674639 786940201 /nfs/dbraw/zinc/94/02/01/786940201.db2.gz JIDUTBRURARBPT-HNNXBMFYSA-N 1 2 340.387 0.697 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2CCCO[C@@H](CNC(=O)c3cnn[nH]3)C2)c1 ZINC001073674639 786940210 /nfs/dbraw/zinc/94/02/10/786940210.db2.gz JIDUTBRURARBPT-HNNXBMFYSA-N 1 2 340.387 0.697 20 30 ECEDLO N#Cc1cccc(C[N@H+]2CCCO[C@@H](CNC(=O)c3cnn[nH]3)C2)c1 ZINC001073674639 786940219 /nfs/dbraw/zinc/94/02/19/786940219.db2.gz JIDUTBRURARBPT-HNNXBMFYSA-N 1 2 340.387 0.697 20 30 ECEDLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1NC(=O)CSCC#N ZINC001073744035 787105352 /nfs/dbraw/zinc/10/53/52/787105352.db2.gz HUBIFVOEZVOTLL-STQMWFEESA-N 1 2 335.433 0.493 20 30 ECEDLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1NC(=O)CSCC#N ZINC001073744032 787105506 /nfs/dbraw/zinc/10/55/06/787105506.db2.gz HUBIFVOEZVOTLL-CHWSQXEVSA-N 1 2 335.433 0.493 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001073820354 787264629 /nfs/dbraw/zinc/26/46/29/787264629.db2.gz RKHRKBLWEUKGND-ZFWWWQNUSA-N 1 2 334.420 0.518 20 30 ECEDLO CC(C)C#CC(=O)N1CCC(O)(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001074579558 787310029 /nfs/dbraw/zinc/31/00/29/787310029.db2.gz MGGMQUSGTLQDTB-UHFFFAOYSA-N 1 2 332.404 0.081 20 30 ECEDLO C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001073895797 787463098 /nfs/dbraw/zinc/46/30/98/787463098.db2.gz BLAHMDODPQJXEQ-ZIAGYGMSSA-N 1 2 330.450 0.347 20 30 ECEDLO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001073895797 787463101 /nfs/dbraw/zinc/46/31/01/787463101.db2.gz BLAHMDODPQJXEQ-ZIAGYGMSSA-N 1 2 330.450 0.347 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CCC(O)(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001074684735 787589343 /nfs/dbraw/zinc/58/93/43/787589343.db2.gz LURUGZCEJCJLKI-OAHLLOKOSA-N 1 2 348.447 0.955 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001074150594 787947732 /nfs/dbraw/zinc/94/77/32/787947732.db2.gz ZLJMOCJQECRQPQ-KGLIPLIRSA-N 1 2 332.404 0.345 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001075038607 788779304 /nfs/dbraw/zinc/77/93/04/788779304.db2.gz JMJYPLVGOQKSEH-CABCVRRESA-N 1 2 346.431 0.878 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001075038607 788779308 /nfs/dbraw/zinc/77/93/08/788779308.db2.gz JMJYPLVGOQKSEH-CABCVRRESA-N 1 2 346.431 0.878 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC3(C2)CC[N@@H+](Cc2cnn(C)n2)C3)c1 ZINC001072968390 789180773 /nfs/dbraw/zinc/18/07/73/789180773.db2.gz IVMLAXLAPBHEDT-UHFFFAOYSA-N 1 2 336.399 0.540 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC3(C2)CC[N@H+](Cc2cnn(C)n2)C3)c1 ZINC001072968390 789180779 /nfs/dbraw/zinc/18/07/79/789180779.db2.gz IVMLAXLAPBHEDT-UHFFFAOYSA-N 1 2 336.399 0.540 20 30 ECEDLO CC#CC[N@@H+]1CCC2(CN(C(=O)c3ccc(S(C)(=O)=O)o3)C2)C1 ZINC001073026968 789298977 /nfs/dbraw/zinc/29/89/77/789298977.db2.gz UYVPXWJLBWXOCR-UHFFFAOYSA-N 1 2 336.413 0.854 20 30 ECEDLO CC#CC[N@H+]1CCC2(CN(C(=O)c3ccc(S(C)(=O)=O)o3)C2)C1 ZINC001073026968 789298983 /nfs/dbraw/zinc/29/89/83/789298983.db2.gz UYVPXWJLBWXOCR-UHFFFAOYSA-N 1 2 336.413 0.854 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CCC(C)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001073027350 789300810 /nfs/dbraw/zinc/30/08/10/789300810.db2.gz HACPFFUAUNRZAX-ZDUSSCGKSA-N 1 2 332.404 0.488 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCC(C)(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001073027705 789301606 /nfs/dbraw/zinc/30/16/06/789301606.db2.gz PUMNEBKMEZOLDC-CQSZACIVSA-N 1 2 346.431 0.796 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC([C@@H]2C[C@H](NCC#N)CCO2)CC1 ZINC001075397986 789324775 /nfs/dbraw/zinc/32/47/75/789324775.db2.gz VFLDZLBHQIUEDM-WBVHZDCISA-N 1 2 345.447 0.862 20 30 ECEDLO C#CC[NH2+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC001075416217 789343885 /nfs/dbraw/zinc/34/38/85/789343885.db2.gz VZSZSGFKLIDKLU-PBHICJAKSA-N 1 2 331.420 0.356 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@@H+](Cc2cn(C)nn2)C3)cn1 ZINC001073137771 789511340 /nfs/dbraw/zinc/51/13/40/789511340.db2.gz JWWRQTQXVOEPFF-UHFFFAOYSA-N 1 2 336.399 0.540 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+](Cc2cn(C)nn2)C3)cn1 ZINC001073137771 789511343 /nfs/dbraw/zinc/51/13/43/789511343.db2.gz JWWRQTQXVOEPFF-UHFFFAOYSA-N 1 2 336.399 0.540 20 30 ECEDLO C=CCOCC(=O)NC1(C)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001073164663 789556567 /nfs/dbraw/zinc/55/65/67/789556567.db2.gz GKOYQJXPSNBFNH-UHFFFAOYSA-N 1 2 334.420 0.663 20 30 ECEDLO C#CCOCCC(=O)NC1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001073277525 789693767 /nfs/dbraw/zinc/69/37/67/789693767.db2.gz WVSCQZPCUVPPSF-UHFFFAOYSA-N 1 2 332.404 0.489 20 30 ECEDLO N#Cc1ccc(N2CC[C@]3(NC(=O)Cn4cc[nH+]c4)CCC[C@H]23)nn1 ZINC001069269394 789720786 /nfs/dbraw/zinc/72/07/86/789720786.db2.gz VMVGMZQJVULIDH-WMLDXEAASA-N 1 2 337.387 0.863 20 30 ECEDLO N#Cc1cnc(N2CC[C@]3(NC(=O)Cc4c[nH]c[nH+]4)CCC[C@@H]23)cn1 ZINC001069291597 789736044 /nfs/dbraw/zinc/73/60/44/789736044.db2.gz OQXHJGDEZUZCNG-RHSMWYFYSA-N 1 2 337.387 0.932 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC001073392955 789784469 /nfs/dbraw/zinc/78/44/69/789784469.db2.gz BPUOBVKWNYDLFN-ZIAGYGMSSA-N 1 2 346.431 0.734 20 30 ECEDLO CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1Nc1ccc(C#N)nn1 ZINC001069573600 789909572 /nfs/dbraw/zinc/90/95/72/789909572.db2.gz HLXKNOFYGRVIAP-ZDUSSCGKSA-N 1 2 325.376 0.894 20 30 ECEDLO CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1Nc1ccnc(C#N)n1 ZINC001069619371 789935741 /nfs/dbraw/zinc/93/57/41/789935741.db2.gz FKFIHLNZVSTIRQ-LBPRGKRZSA-N 1 2 325.376 0.385 20 30 ECEDLO N#CCN1CCn2ncc(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)c2C1 ZINC001069864217 790119819 /nfs/dbraw/zinc/11/98/19/790119819.db2.gz FBFIBSPULHNTLG-ZDUSSCGKSA-N 1 2 339.403 0.298 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3ccc(C(N)=O)[nH]3)c2C1 ZINC001069873506 790135760 /nfs/dbraw/zinc/13/57/60/790135760.db2.gz HYAVCQFPSCLXJN-UHFFFAOYSA-N 1 2 342.403 0.632 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3ccc(C(N)=O)[nH]3)c2C1 ZINC001069873506 790135762 /nfs/dbraw/zinc/13/57/62/790135762.db2.gz HYAVCQFPSCLXJN-UHFFFAOYSA-N 1 2 342.403 0.632 20 30 ECEDLO CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](n2ccnn2)C1 ZINC001069911722 790181029 /nfs/dbraw/zinc/18/10/29/790181029.db2.gz LQUUKNNVKLBQPH-YUELXQCFSA-N 1 2 345.382 0.881 20 30 ECEDLO CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](n2ccnn2)C1 ZINC001069911722 790181031 /nfs/dbraw/zinc/18/10/31/790181031.db2.gz LQUUKNNVKLBQPH-YUELXQCFSA-N 1 2 345.382 0.881 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ncc(F)cc2F)[C@@H](n2ccnn2)C1 ZINC001069959239 790241547 /nfs/dbraw/zinc/24/15/47/790241547.db2.gz LLJVNYPSIAQESU-KGLIPLIRSA-N 1 2 346.341 0.630 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ncc(F)cc2F)[C@@H](n2ccnn2)C1 ZINC001069959239 790241552 /nfs/dbraw/zinc/24/15/52/790241552.db2.gz LLJVNYPSIAQESU-KGLIPLIRSA-N 1 2 346.341 0.630 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ncn3ccc(C)cc23)[C@@H](n2ccnn2)C1 ZINC001069966008 790252896 /nfs/dbraw/zinc/25/28/96/790252896.db2.gz RFYKYRMEOFUYAF-ZBFHGGJFSA-N 1 2 349.398 0.523 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ncn3ccc(C)cc23)[C@@H](n2ccnn2)C1 ZINC001069966008 790252901 /nfs/dbraw/zinc/25/29/01/790252901.db2.gz RFYKYRMEOFUYAF-ZBFHGGJFSA-N 1 2 349.398 0.523 20 30 ECEDLO Cc1cc(C#N)nc(N[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@H]2C)n1 ZINC001068863675 791296318 /nfs/dbraw/zinc/29/63/18/791296318.db2.gz BPFYLLLCRWYGNG-GXTWGEPZSA-N 1 2 325.376 0.955 20 30 ECEDLO Cc1ccc(C#N)c(NC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CCO2)n1 ZINC001066680278 791976293 /nfs/dbraw/zinc/97/62/93/791976293.db2.gz INLYRTGYGKUMFM-OAHLLOKOSA-N 1 2 340.387 0.867 20 30 ECEDLO C=CCn1cc(C(=O)N2CCO[C@@H](CNc3cc[nH+]c(C)n3)C2)nn1 ZINC001066683223 791981492 /nfs/dbraw/zinc/98/14/92/791981492.db2.gz WTWBNAWROWEBDJ-ZDUSSCGKSA-N 1 2 343.391 0.516 20 30 ECEDLO N#Cc1cnc(N2CC[NH+]([C@H]3CCN(C(=O)C4CC4)C3)CC2)cn1 ZINC001066693476 792006807 /nfs/dbraw/zinc/00/68/07/792006807.db2.gz ACHCMOBXCHTSHE-HNNXBMFYSA-N 1 2 326.404 0.481 20 30 ECEDLO CC(C)C(=O)N1CC[C@@H]([NH+]2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001066698232 792016693 /nfs/dbraw/zinc/01/66/93/792016693.db2.gz IZBPLLBFACSVGJ-OAHLLOKOSA-N 1 2 328.420 0.727 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(c3ncccc3C#N)CC2)C1 ZINC001066698745 792020860 /nfs/dbraw/zinc/02/08/60/792020860.db2.gz OCFNKPQBVLRZCA-ZBFHGGJFSA-N 1 2 338.415 0.836 20 30 ECEDLO CO[C@@H](C)C(=O)N1CC[C@@H]([NH+]2CCN(c3ccncc3C#N)CC2)C1 ZINC001066699246 792024056 /nfs/dbraw/zinc/02/40/56/792024056.db2.gz VEBFKQKXPFUXBT-GOEBONIOSA-N 1 2 343.431 0.711 20 30 ECEDLO CC1(C(=O)N2CC[C@H]([NH+]3CCN(c4ccc(C#N)nn4)CC3)C2)CC1 ZINC001066708323 792035740 /nfs/dbraw/zinc/03/57/40/792035740.db2.gz HRDLMYMRVWOIBR-HNNXBMFYSA-N 1 2 340.431 0.871 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)CCCN(C)C(=O)Cn2cc[nH+]c2)c1 ZINC001067716586 792179872 /nfs/dbraw/zinc/17/98/72/792179872.db2.gz ALMGXQWYAWXLIU-UHFFFAOYSA-N 1 2 339.399 0.880 20 30 ECEDLO CN(C(=O)Cc1[nH]cc[nH+]1)C1CCC(Nc2ccnc(C#N)n2)CC1 ZINC001067911680 792456768 /nfs/dbraw/zinc/45/67/68/792456768.db2.gz AZLZUWFXPKKJKY-UHFFFAOYSA-N 1 2 339.403 0.917 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CN(c2cnc(C#N)cn2)CC[C@H]1C ZINC001067963896 792514215 /nfs/dbraw/zinc/51/42/15/792514215.db2.gz WAOQITKUAHNCHV-ABAIWWIYSA-N 1 2 339.403 0.954 20 30 ECEDLO C[C@@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067967990 792523081 /nfs/dbraw/zinc/52/30/81/792523081.db2.gz URYKAVJKFSTXGL-YPMHNXCESA-N 1 2 325.376 0.645 20 30 ECEDLO Cc1cc(C#N)nc(N2C[C@@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)n1 ZINC001068115356 792697136 /nfs/dbraw/zinc/69/71/36/792697136.db2.gz IJNXLKVGVZLEPU-CQSZACIVSA-N 1 2 339.403 0.884 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1Nc1nccnc1C#N ZINC001067123594 792721387 /nfs/dbraw/zinc/72/13/87/792721387.db2.gz WKAMOGFQBJSJOA-RISCZKNCSA-N 1 2 325.376 0.583 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1Nc1nccnc1C#N ZINC001067128327 792729924 /nfs/dbraw/zinc/72/99/24/792729924.db2.gz BOSBKLSEOYMCGM-SWLSCSKDSA-N 1 2 339.403 0.973 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1Nc1cnc(C#N)cn1 ZINC001067129173 792730876 /nfs/dbraw/zinc/73/08/76/792730876.db2.gz OZZAQNIOCWQYPJ-DOMZBBRYSA-N 1 2 339.403 0.973 20 30 ECEDLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1Nc1nccnc1C#N ZINC001067174793 792776666 /nfs/dbraw/zinc/77/66/66/792776666.db2.gz KYNRYDUYJIJOGO-JSGCOSHPSA-N 1 2 325.376 0.894 20 30 ECEDLO Cc1cc(C#N)nc(N[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C)n1 ZINC001067208073 792823047 /nfs/dbraw/zinc/82/30/47/792823047.db2.gz QPKAZBLYLUCRCY-IINYFYTJSA-N 1 2 325.376 0.881 20 30 ECEDLO C[C@@H](Nc1ncccc1C#N)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001068235751 792891166 /nfs/dbraw/zinc/89/11/66/792891166.db2.gz ACNWKZPDZMYCHN-OCCSQVGLSA-N 1 2 340.387 0.947 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](CNc2ccnc(C#N)n2)C[C@@H]1C ZINC001068342836 793085957 /nfs/dbraw/zinc/08/59/57/793085957.db2.gz ZSGYLCZMHDKCBJ-WCQYABFASA-N 1 2 339.403 0.693 20 30 ECEDLO C[C@@H]1C[C@H](CNc2cnc(C#N)cn2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001068346027 793093168 /nfs/dbraw/zinc/09/31/68/793093168.db2.gz DBEHHBLOKKDLNQ-VXGBXAGGSA-N 1 2 325.376 0.963 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(c2nccnc2C#N)C[C@H]1C ZINC001067407680 793112144 /nfs/dbraw/zinc/11/21/44/793112144.db2.gz JXGRIDYLKVEJHH-DGCLKSJQSA-N 1 2 339.403 0.954 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCOC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001068436746 793312027 /nfs/dbraw/zinc/31/20/27/793312027.db2.gz QYSUWPLNNJNYGA-KGLIPLIRSA-N 1 2 346.431 0.850 20 30 ECEDLO CCCN(C(=O)c1ccc(F)cn1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267540990 837725928 /nfs/dbraw/zinc/72/59/28/837725928.db2.gz SCNYTSRIUDNWAA-AWEZNQCLSA-N 1 2 347.394 0.787 20 30 ECEDLO CCCN(C(=O)c1ccc(F)cn1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267540990 837725933 /nfs/dbraw/zinc/72/59/33/837725933.db2.gz SCNYTSRIUDNWAA-AWEZNQCLSA-N 1 2 347.394 0.787 20 30 ECEDLO CCC(=O)N1CCC[C@@H](C(=O)N(C)CC[NH+]2CCN(CC#N)CC2)C1 ZINC001267571828 837806063 /nfs/dbraw/zinc/80/60/63/837806063.db2.gz AGJWBLUTHQEHMX-MRXNPFEDSA-N 1 2 349.479 0.235 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CCN(C)C(=O)/C=C(/C)C2CC2)CC1 ZINC001267573476 837817413 /nfs/dbraw/zinc/81/74/13/837817413.db2.gz GPHOSGZAIBONBK-PEZBUJJGSA-N 1 2 348.491 0.721 20 30 ECEDLO C=CCN1CC[NH+](CCN(C)C(=O)CNC(=O)CC(C)(C)C)CC1 ZINC001267577861 837834002 /nfs/dbraw/zinc/83/40/02/837834002.db2.gz UCDVAPNDWIVDEB-UHFFFAOYSA-N 1 2 338.496 0.801 20 30 ECEDLO C[C@H](CC(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#N)C1)n1cccn1 ZINC001266245812 835551229 /nfs/dbraw/zinc/55/12/29/835551229.db2.gz HAFMNAKBOSHBJO-KGLIPLIRSA-N 1 2 332.408 0.055 20 30 ECEDLO C[C@H](CC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1)n1cccn1 ZINC001266245812 835551237 /nfs/dbraw/zinc/55/12/37/835551237.db2.gz HAFMNAKBOSHBJO-KGLIPLIRSA-N 1 2 332.408 0.055 20 30 ECEDLO C=CCCC(=O)NCC[NH+]1CCN(Cc2nnc3n2CCCC3)CC1 ZINC001266281260 835609514 /nfs/dbraw/zinc/60/95/14/835609514.db2.gz JYGNHCKIYYYIPE-UHFFFAOYSA-N 1 2 346.479 0.814 20 30 ECEDLO N#CCN1CC[NH+](CCNC(=O)[C@H]2COC[C@H]2c2ccccc2)CC1 ZINC001266288465 835632059 /nfs/dbraw/zinc/63/20/59/835632059.db2.gz XUZYXOGVEJDSNE-ROUUACIJSA-N 1 2 342.443 0.674 20 30 ECEDLO N#CCN1CC[NH+](CCNC(=O)c2cccnc2-n2cccn2)CC1 ZINC001266290260 835634053 /nfs/dbraw/zinc/63/40/53/835634053.db2.gz SSDFKERREGQPBK-UHFFFAOYSA-N 1 2 339.403 0.138 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCNS(C)(=O)=O)C2)cc1 ZINC001266333895 835717027 /nfs/dbraw/zinc/71/70/27/835717027.db2.gz VUPZTMNHDCTGBE-OAHLLOKOSA-N 1 2 335.429 0.021 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCNS(C)(=O)=O)C2)cc1 ZINC001266333895 835717031 /nfs/dbraw/zinc/71/70/31/835717031.db2.gz VUPZTMNHDCTGBE-OAHLLOKOSA-N 1 2 335.429 0.021 20 30 ECEDLO C#Cc1ccc(C(=O)NCC[N@@H+](C)CC(=O)N2CCC(C)CC2)nc1 ZINC001266349920 835745425 /nfs/dbraw/zinc/74/54/25/835745425.db2.gz CWADWZOJAPHREF-UHFFFAOYSA-N 1 2 342.443 0.983 20 30 ECEDLO C#Cc1ccc(C(=O)NCC[N@H+](C)CC(=O)N2CCC(C)CC2)nc1 ZINC001266349920 835745429 /nfs/dbraw/zinc/74/54/29/835745429.db2.gz CWADWZOJAPHREF-UHFFFAOYSA-N 1 2 342.443 0.983 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](CCCS(C)(=O)=O)C1 ZINC001266355187 835758364 /nfs/dbraw/zinc/75/83/64/835758364.db2.gz CJTVZXVDJKLLFM-KRWDZBQOSA-N 1 2 348.468 0.836 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](CCCS(C)(=O)=O)C1 ZINC001266355187 835758374 /nfs/dbraw/zinc/75/83/74/835758374.db2.gz CJTVZXVDJKLLFM-KRWDZBQOSA-N 1 2 348.468 0.836 20 30 ECEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(=O)NC)C2)CCCC1 ZINC001266363772 835775408 /nfs/dbraw/zinc/77/54/08/835775408.db2.gz NQXFTIOBWYXAIJ-ZDUSSCGKSA-N 1 2 336.436 0.769 20 30 ECEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(=O)NC)C2)CCCC1 ZINC001266363772 835775416 /nfs/dbraw/zinc/77/54/16/835775416.db2.gz NQXFTIOBWYXAIJ-ZDUSSCGKSA-N 1 2 336.436 0.769 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cccc(-n2ccnn2)c1 ZINC001266368695 835780723 /nfs/dbraw/zinc/78/07/23/835780723.db2.gz WRQAHBZNLDREKE-UHFFFAOYSA-N 1 2 342.403 0.231 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cccc(-n2ccnn2)c1 ZINC001266368695 835780731 /nfs/dbraw/zinc/78/07/31/835780731.db2.gz WRQAHBZNLDREKE-UHFFFAOYSA-N 1 2 342.403 0.231 20 30 ECEDLO CCCN(C(=O)c1ccn(C)c1)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC001266386395 835796278 /nfs/dbraw/zinc/79/62/78/835796278.db2.gz CVDSFQDEUVJUKV-UHFFFAOYSA-N 1 2 345.447 0.981 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1nc(N(C)C)no1)C1CC1 ZINC001266431410 835835693 /nfs/dbraw/zinc/83/56/93/835835693.db2.gz OIWGROLNZJPSRF-RDBSUJKOSA-N 1 2 349.435 0.711 20 30 ECEDLO Cc1ccn(C[C@@H](C)C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NCC#N)n1 ZINC001266465477 835867344 /nfs/dbraw/zinc/86/73/44/835867344.db2.gz WQRGAMCOYSASML-UKRRQHHQSA-N 1 2 346.435 0.048 20 30 ECEDLO Cc1ccn(C[C@@H](C)C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NCC#N)n1 ZINC001266465477 835867347 /nfs/dbraw/zinc/86/73/47/835867347.db2.gz WQRGAMCOYSASML-UKRRQHHQSA-N 1 2 346.435 0.048 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(c2cccnc2)CC1 ZINC001266477085 835878819 /nfs/dbraw/zinc/87/88/19/835878819.db2.gz ISBAMOACSXGXEH-OAHLLOKOSA-N 1 2 341.415 0.334 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C1(c2cccnc2)CC1 ZINC001266477085 835878829 /nfs/dbraw/zinc/87/88/29/835878829.db2.gz ISBAMOACSXGXEH-OAHLLOKOSA-N 1 2 341.415 0.334 20 30 ECEDLO CO[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCC#N)C1CCCC1 ZINC001266492394 835893005 /nfs/dbraw/zinc/89/30/05/835893005.db2.gz ODXPTRWEUCEUAK-HOCLYGCPSA-N 1 2 336.436 0.412 20 30 ECEDLO CO[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCC#N)C1CCCC1 ZINC001266492394 835893008 /nfs/dbraw/zinc/89/30/08/835893008.db2.gz ODXPTRWEUCEUAK-HOCLYGCPSA-N 1 2 336.436 0.412 20 30 ECEDLO C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2ccc3[nH]nnc3c2)C1 ZINC001266565773 835995143 /nfs/dbraw/zinc/99/51/43/835995143.db2.gz NNDUBDVTKOJINS-LBPRGKRZSA-N 1 2 328.376 0.064 20 30 ECEDLO C=CCCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC001266836579 836362061 /nfs/dbraw/zinc/36/20/61/836362061.db2.gz BGEXEZTXEGWVHT-CQSZACIVSA-N 1 2 336.436 0.912 20 30 ECEDLO C=CCCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC001266836579 836362070 /nfs/dbraw/zinc/36/20/70/836362070.db2.gz BGEXEZTXEGWVHT-CQSZACIVSA-N 1 2 336.436 0.912 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)c1nccc(C)n1 ZINC001266840287 836365101 /nfs/dbraw/zinc/36/51/01/836365101.db2.gz RPYOMPVIQPFOQC-AWEZNQCLSA-N 1 2 329.404 0.119 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1nccc(C)n1 ZINC001266840287 836365114 /nfs/dbraw/zinc/36/51/14/836365114.db2.gz RPYOMPVIQPFOQC-AWEZNQCLSA-N 1 2 329.404 0.119 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C1(C)CCC(F)(F)CC1 ZINC001267203219 836979604 /nfs/dbraw/zinc/97/96/04/836979604.db2.gz PTBUSDZVRRZUBT-UHFFFAOYSA-N 1 2 329.391 0.999 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C1(C)CCC(F)(F)CC1 ZINC001267203219 836979611 /nfs/dbraw/zinc/97/96/11/836979611.db2.gz PTBUSDZVRRZUBT-UHFFFAOYSA-N 1 2 329.391 0.999 20 30 ECEDLO C=CCCC(=O)N(C)CC[NH+]1CCN([C@@H](C)c2nnnn2C)CC1 ZINC001267605982 837943829 /nfs/dbraw/zinc/94/38/29/837943829.db2.gz JYSAYZWXXGMJDX-AWEZNQCLSA-N 1 2 335.456 0.313 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)NCC=C)C1 ZINC001267612015 837978157 /nfs/dbraw/zinc/97/81/57/837978157.db2.gz UBSPWJJOEZRQPZ-HUUCEWRRSA-N 1 2 348.447 0.771 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC(=O)NCC=C)C1 ZINC001267612015 837978160 /nfs/dbraw/zinc/97/81/60/837978160.db2.gz UBSPWJJOEZRQPZ-HUUCEWRRSA-N 1 2 348.447 0.771 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)C2(F)CCOCC2)C1 ZINC001267615276 837993637 /nfs/dbraw/zinc/99/36/37/837993637.db2.gz KWFKLHWKLMXUOF-UONOGXRCSA-N 1 2 339.411 0.224 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C2(F)CCOCC2)C1 ZINC001267615276 837993642 /nfs/dbraw/zinc/99/36/42/837993642.db2.gz KWFKLHWKLMXUOF-UONOGXRCSA-N 1 2 339.411 0.224 20 30 ECEDLO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccoc2CC(N)=O)C1 ZINC001267617034 838030455 /nfs/dbraw/zinc/03/04/55/838030455.db2.gz CRLXZKMZQWVNST-CYBMUJFWSA-N 1 2 333.388 0.151 20 30 ECEDLO COCC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccoc2CC(N)=O)C1 ZINC001267617034 838030458 /nfs/dbraw/zinc/03/04/58/838030458.db2.gz CRLXZKMZQWVNST-CYBMUJFWSA-N 1 2 333.388 0.151 20 30 ECEDLO COCC#CCN1CC[NH+](CCN(C)C(=O)c2ccnc(C)c2)CC1 ZINC001267617369 838038353 /nfs/dbraw/zinc/03/83/53/838038353.db2.gz CLTSWFSZNDDWCX-UHFFFAOYSA-N 1 2 344.459 0.729 20 30 ECEDLO COCC#CC[NH+]1CCN(CCN(C)C(=O)c2ccnc(C)c2)CC1 ZINC001267617369 838038368 /nfs/dbraw/zinc/03/83/68/838038368.db2.gz CLTSWFSZNDDWCX-UHFFFAOYSA-N 1 2 344.459 0.729 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NC(C)C)C2)nn1 ZINC001267617448 838039847 /nfs/dbraw/zinc/03/98/47/838039847.db2.gz HDGRWROKAMDBCK-CYBMUJFWSA-N 1 2 334.424 0.183 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC(C)C)C2)nn1 ZINC001267617448 838039860 /nfs/dbraw/zinc/03/98/60/838039860.db2.gz HDGRWROKAMDBCK-CYBMUJFWSA-N 1 2 334.424 0.183 20 30 ECEDLO C#CCN1CC[NH+](CCN(C)C(=O)c2cc(C(C)C)nn2C)CC1 ZINC001267617705 838041924 /nfs/dbraw/zinc/04/19/24/838041924.db2.gz GJLGQFSGLNWXHD-UHFFFAOYSA-N 1 2 331.464 0.866 20 30 ECEDLO C=CCN1CC[NH+](CCN(C)C(=O)[C@H]2CCc3nncn3C2)CC1 ZINC001267618842 838051337 /nfs/dbraw/zinc/05/13/37/838051337.db2.gz SWSQGGWRVWKNKO-HNNXBMFYSA-N 1 2 332.452 0.103 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001267623498 838065758 /nfs/dbraw/zinc/06/57/58/838065758.db2.gz CEBFPRVGASBFQY-TTZDDIAXSA-N 1 2 348.447 0.625 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001267623498 838065776 /nfs/dbraw/zinc/06/57/76/838065776.db2.gz CEBFPRVGASBFQY-TTZDDIAXSA-N 1 2 348.447 0.625 20 30 ECEDLO C=CCNC(=O)[C@@H](C)N1CC(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267648762 838140679 /nfs/dbraw/zinc/14/06/79/838140679.db2.gz CVNBCCYZBGOQFY-ZBFHGGJFSA-N 1 2 347.463 0.961 20 30 ECEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CC(CNC(=O)C#CC3CC3)C2)C1 ZINC001267682408 838244646 /nfs/dbraw/zinc/24/46/46/838244646.db2.gz VWNALKQHQNQDGX-GJZGRUSLSA-N 1 2 331.460 0.952 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2cc[nH]c2CCC)C1 ZINC001267690038 838258518 /nfs/dbraw/zinc/25/85/18/838258518.db2.gz TYPQQSGGHPDDMC-ZDUSSCGKSA-N 1 2 330.432 0.767 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)C2(C(F)F)CCCC2)C1 ZINC001267689665 838259898 /nfs/dbraw/zinc/25/98/98/838259898.db2.gz ONHUXWTZSYYOJH-UHFFFAOYSA-N 1 2 327.375 0.609 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)c2ccc(Cl)c(OC)c2)C1 ZINC001267694487 838280937 /nfs/dbraw/zinc/28/09/37/838280937.db2.gz LSDGYUJSRGHEFD-UHFFFAOYSA-N 1 2 349.818 0.760 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2cn(CCC)nc2C)C1 ZINC001267694636 838281281 /nfs/dbraw/zinc/28/12/81/838281281.db2.gz FZTCNFHRMZZRBA-CQSZACIVSA-N 1 2 347.463 0.954 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)c2cccc(OC)c2F)C1 ZINC001267695381 838286859 /nfs/dbraw/zinc/28/68/59/838286859.db2.gz UQSSDTURPTXNIE-UHFFFAOYSA-N 1 2 333.363 0.245 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)COc2ccccc2CC)C1 ZINC001267698351 838291955 /nfs/dbraw/zinc/29/19/55/838291955.db2.gz FDZNYCHOVAGBQI-UHFFFAOYSA-N 1 2 343.427 0.425 20 30 ECEDLO COCC#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001267708294 838316248 /nfs/dbraw/zinc/31/62/48/838316248.db2.gz HCQYCJVGTFRUJO-PVAVHDDUSA-N 1 2 328.416 0.380 20 30 ECEDLO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC001267727262 838406425 /nfs/dbraw/zinc/40/64/25/838406425.db2.gz MIKKTLNMFMUTAV-AWEZNQCLSA-N 1 2 343.387 0.373 20 30 ECEDLO COCC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC001267727262 838406429 /nfs/dbraw/zinc/40/64/29/838406429.db2.gz MIKKTLNMFMUTAV-AWEZNQCLSA-N 1 2 343.387 0.373 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001267733907 838424857 /nfs/dbraw/zinc/42/48/57/838424857.db2.gz JNJPGDDYDCEYFB-KRWDZBQOSA-N 1 2 325.412 0.729 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001267733907 838424862 /nfs/dbraw/zinc/42/48/62/838424862.db2.gz JNJPGDDYDCEYFB-KRWDZBQOSA-N 1 2 325.412 0.729 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ncc(OC)cc2F)C1 ZINC001267743513 838445257 /nfs/dbraw/zinc/44/52/57/838445257.db2.gz WDHUPTWKBSFXOM-VXGBXAGGSA-N 1 2 348.378 0.171 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ncc(OC)cc2F)C1 ZINC001267743513 838445259 /nfs/dbraw/zinc/44/52/59/838445259.db2.gz WDHUPTWKBSFXOM-VXGBXAGGSA-N 1 2 348.378 0.171 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001267744920 838448182 /nfs/dbraw/zinc/44/81/82/838448182.db2.gz AWOLTYLAXCZJMY-GFCCVEGCSA-N 1 2 331.420 0.261 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001267744920 838448186 /nfs/dbraw/zinc/44/81/86/838448186.db2.gz AWOLTYLAXCZJMY-GFCCVEGCSA-N 1 2 331.420 0.261 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC(C)C)C1 ZINC001267749609 838467126 /nfs/dbraw/zinc/46/71/26/838467126.db2.gz LMGYTYVUECKMNW-VYDXJSESSA-N 1 2 337.464 0.930 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC(C)C)C1 ZINC001267749609 838467131 /nfs/dbraw/zinc/46/71/31/838467131.db2.gz LMGYTYVUECKMNW-VYDXJSESSA-N 1 2 337.464 0.930 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C(C)C)c2C)C1 ZINC001267751203 838472363 /nfs/dbraw/zinc/47/23/63/838472363.db2.gz ZJFVIIKLDUAHME-CQSZACIVSA-N 1 2 333.436 0.879 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C(C)C)c2C)C1 ZINC001267751203 838472368 /nfs/dbraw/zinc/47/23/68/838472368.db2.gz ZJFVIIKLDUAHME-CQSZACIVSA-N 1 2 333.436 0.879 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2nn(CC)nc2C)C1 ZINC001267778971 838547265 /nfs/dbraw/zinc/54/72/65/838547265.db2.gz KZFMLVKOKHQBKY-ZDUSSCGKSA-N 1 2 334.424 0.055 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2nn(CC)nc2C)C1 ZINC001267778971 838547272 /nfs/dbraw/zinc/54/72/72/838547272.db2.gz KZFMLVKOKHQBKY-ZDUSSCGKSA-N 1 2 334.424 0.055 20 30 ECEDLO CCN(C(=O)[C@H](C)OCC1CC1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267782435 838555950 /nfs/dbraw/zinc/55/59/50/838555950.db2.gz VSYGVKHUXUALFK-DZGCQCFKSA-N 1 2 336.436 0.364 20 30 ECEDLO CCN(C(=O)[C@H](C)OCC1CC1)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267782435 838555956 /nfs/dbraw/zinc/55/59/56/838555956.db2.gz VSYGVKHUXUALFK-DZGCQCFKSA-N 1 2 336.436 0.364 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cn(C)ccc2=O)C1 ZINC001267788161 838567473 /nfs/dbraw/zinc/56/74/73/838567473.db2.gz RGCOAQRPQBEKOV-CQSZACIVSA-N 1 2 346.431 0.224 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cn(C)ccc2=O)C1 ZINC001267788161 838567479 /nfs/dbraw/zinc/56/74/79/838567479.db2.gz RGCOAQRPQBEKOV-CQSZACIVSA-N 1 2 346.431 0.224 20 30 ECEDLO N#CCSCC(=O)N1CC(n2cc(C[NH2+]C/C=C/Cl)nn2)C1 ZINC001105170221 838709844 /nfs/dbraw/zinc/70/98/44/838709844.db2.gz ZZONFNDRFQGTCC-OWOJBTEDSA-N 1 2 340.840 0.760 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2n[nH]c3c2CCC3)C1 ZINC001267949164 838842039 /nfs/dbraw/zinc/84/20/39/838842039.db2.gz ARYCCRRSHZCXBZ-GFCCVEGCSA-N 1 2 331.420 0.395 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2n[nH]c3c2CCC3)C1 ZINC001267949164 838842052 /nfs/dbraw/zinc/84/20/52/838842052.db2.gz ARYCCRRSHZCXBZ-GFCCVEGCSA-N 1 2 331.420 0.395 20 30 ECEDLO CC(C)(C)C#CC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)CCO1 ZINC001268021192 838995553 /nfs/dbraw/zinc/99/55/53/838995553.db2.gz CCOOTIZUWRQQII-LSDHHAIUSA-N 1 2 345.447 0.632 20 30 ECEDLO CC(C)(C)C#CC(=O)NC[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)CCO1 ZINC001268021192 838995557 /nfs/dbraw/zinc/99/55/57/838995557.db2.gz CCOOTIZUWRQQII-LSDHHAIUSA-N 1 2 345.447 0.632 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@]2(C3CCCC3)CCNC2=O)C1 ZINC001268024347 839012756 /nfs/dbraw/zinc/01/27/56/839012756.db2.gz CRFATMPKIFAOPV-MAUKXSAKSA-N 1 2 335.448 0.686 20 30 ECEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@]2(C3CCCC3)CCNC2=O)C1 ZINC001268024347 839012758 /nfs/dbraw/zinc/01/27/58/839012758.db2.gz CRFATMPKIFAOPV-MAUKXSAKSA-N 1 2 335.448 0.686 20 30 ECEDLO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000329266022 283331589 /nfs/dbraw/zinc/33/15/89/283331589.db2.gz HGKQVSLNOPKFSF-CHWSQXEVSA-N 1 2 345.465 0.463 20 30 ECEDLO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000329266022 283331595 /nfs/dbraw/zinc/33/15/95/283331595.db2.gz HGKQVSLNOPKFSF-CHWSQXEVSA-N 1 2 345.465 0.463 20 30 ECEDLO C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108366 216350497 /nfs/dbraw/zinc/35/04/97/216350497.db2.gz AANOWCOJRAXZHB-GDBMZVCRSA-N 1 2 343.431 0.759 20 30 ECEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2ccnc(C#N)c2)CC1 ZINC000193496639 240187855 /nfs/dbraw/zinc/18/78/55/240187855.db2.gz RAOIYKPCPOTMKL-CQSZACIVSA-N 1 2 341.415 0.722 20 30 ECEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2nccnc2C#N)CC1 ZINC000263946399 245893867 /nfs/dbraw/zinc/89/38/67/245893867.db2.gz YPXXGNFPYWJWGA-CQSZACIVSA-N 1 2 328.420 0.871 20 30 ECEDLO CCOC(=O)[C@H]1C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC12COC2 ZINC000451134705 211361756 /nfs/dbraw/zinc/36/17/56/211361756.db2.gz LRJIGLQLTIFPOQ-CABCVRRESA-N 1 2 343.383 0.596 20 30 ECEDLO CCOC(=O)[C@H]1C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC12COC2 ZINC000451134705 211361759 /nfs/dbraw/zinc/36/17/59/211361759.db2.gz LRJIGLQLTIFPOQ-CABCVRRESA-N 1 2 343.383 0.596 20 30 ECEDLO CNC(=O)NC[C@H]1C[N@H+](CCOc2ccc(C#N)cc2OC)CCO1 ZINC000528623591 269696919 /nfs/dbraw/zinc/69/69/19/269696919.db2.gz INUMDPPUZYKDFD-AWEZNQCLSA-N 1 2 348.403 0.575 20 30 ECEDLO CNC(=O)NC[C@H]1C[N@@H+](CCOc2ccc(C#N)cc2OC)CCO1 ZINC000528623591 269696920 /nfs/dbraw/zinc/69/69/20/269696920.db2.gz INUMDPPUZYKDFD-AWEZNQCLSA-N 1 2 348.403 0.575 20 30 ECEDLO COC(=O)C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000267727474 251291277 /nfs/dbraw/zinc/29/12/77/251291277.db2.gz ZQTBLJSQNHSWDN-GDBMZVCRSA-N 1 2 334.372 0.562 20 30 ECEDLO COC(=O)C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000267727474 251291279 /nfs/dbraw/zinc/29/12/79/251291279.db2.gz ZQTBLJSQNHSWDN-GDBMZVCRSA-N 1 2 334.372 0.562 20 30 ECEDLO COC(=O)CN(CC[NH+]1CCOCC1)C[C@H](O)c1ccc(C#N)cc1 ZINC000268648064 252100513 /nfs/dbraw/zinc/10/05/13/252100513.db2.gz GAAPZIPTQRYMPL-KRWDZBQOSA-N 1 2 347.415 0.399 20 30 ECEDLO C[C@@H](NC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000330257198 254631720 /nfs/dbraw/zinc/63/17/20/254631720.db2.gz QNOKGIRXDKLUKX-QMIVOQANSA-N 1 2 338.452 0.609 20 30 ECEDLO C=CCNS(=O)(=O)c1cccc(C(=O)NCc2[nH+]ccn2C)c1 ZINC000343289748 254686806 /nfs/dbraw/zinc/68/68/06/254686806.db2.gz UEHYUKZEEWYYDN-UHFFFAOYSA-N 1 2 334.401 0.814 20 30 ECEDLO CCOCC[NH+]1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC1 ZINC000489299231 254862007 /nfs/dbraw/zinc/86/20/07/254862007.db2.gz WVVLFORAZSTOQX-UHFFFAOYSA-N 1 2 338.433 0.605 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C=Nc3ccccc3S2(=O)=O)CC1 ZINC000491715368 254930284 /nfs/dbraw/zinc/93/02/84/254930284.db2.gz PMEJSACWPUHSBF-UHFFFAOYSA-N 1 2 346.412 0.128 20 30 ECEDLO CN(C)C(=O)O[C@H]1CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000496551280 255109847 /nfs/dbraw/zinc/10/98/47/255109847.db2.gz PKVMHVZUQWMJPQ-HNNXBMFYSA-N 1 2 330.388 0.947 20 30 ECEDLO CN(C)C(=O)O[C@H]1CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000496551280 255109848 /nfs/dbraw/zinc/10/98/48/255109848.db2.gz PKVMHVZUQWMJPQ-HNNXBMFYSA-N 1 2 330.388 0.947 20 30 ECEDLO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1OC ZINC000419350577 209068150 /nfs/dbraw/zinc/06/81/50/209068150.db2.gz GBBDHIJNPGIUKD-CQSZACIVSA-N 1 2 331.372 0.820 20 30 ECEDLO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1OC ZINC000419350577 209068151 /nfs/dbraw/zinc/06/81/51/209068151.db2.gz GBBDHIJNPGIUKD-CQSZACIVSA-N 1 2 331.372 0.820 20 30 ECEDLO CCO[C@@H]1C[C@H](NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)[C@@]12CCCO2 ZINC000329596392 286313131 /nfs/dbraw/zinc/31/31/31/286313131.db2.gz INZDRADSGBENEP-SVZOTFJBSA-N 1 2 339.436 0.642 20 30 ECEDLO CCO[C@@H]1C[C@H](NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)[C@@]12CCCO2 ZINC000329596392 286313133 /nfs/dbraw/zinc/31/31/33/286313133.db2.gz INZDRADSGBENEP-SVZOTFJBSA-N 1 2 339.436 0.642 20 30 ECEDLO COCC[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000122814020 222163664 /nfs/dbraw/zinc/16/36/64/222163664.db2.gz UYKWMRFQKDTQNA-CVEARBPZSA-N 1 2 338.429 0.727 20 30 ECEDLO COCC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000122814020 222163669 /nfs/dbraw/zinc/16/36/69/222163669.db2.gz UYKWMRFQKDTQNA-CVEARBPZSA-N 1 2 338.429 0.727 20 30 ECEDLO COCCOc1ccc(C#N)cc1NC(=O)N1CC[NH+](CCO)CC1 ZINC000273150752 263398796 /nfs/dbraw/zinc/39/87/96/263398796.db2.gz HRPJKOJWEFFWSB-UHFFFAOYSA-N 1 2 348.403 0.725 20 30 ECEDLO N#Cc1cccc(CNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000283837859 264156993 /nfs/dbraw/zinc/15/69/93/264156993.db2.gz FDHFBVOGJOGVQY-MRXNPFEDSA-N 1 2 349.394 0.965 20 30 ECEDLO N#Cc1cccnc1N1CC[NH+]([C@@H]2CC(=O)N(C3CC3)C2=O)CC1 ZINC000342140403 270006079 /nfs/dbraw/zinc/00/60/79/270006079.db2.gz QVBGKHUDQFKUER-CQSZACIVSA-N 1 2 325.372 0.365 20 30 ECEDLO N#Cc1ccc(Cl)c(C(=O)N(CCO)CC[NH+]2CCOCC2)c1 ZINC000354359106 270006715 /nfs/dbraw/zinc/00/67/15/270006715.db2.gz PGPAZVBUJUZKNP-UHFFFAOYSA-N 1 2 337.807 0.978 20 30 ECEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000530845647 270008167 /nfs/dbraw/zinc/00/81/67/270008167.db2.gz SKRRYUYRSKRXFO-CYBMUJFWSA-N 1 2 330.388 0.642 20 30 ECEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000530845647 270008168 /nfs/dbraw/zinc/00/81/68/270008168.db2.gz SKRRYUYRSKRXFO-CYBMUJFWSA-N 1 2 330.388 0.642 20 30 ECEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295556185 265070210 /nfs/dbraw/zinc/07/02/10/265070210.db2.gz XOKMPKKUFWVFNG-IRXDYDNUSA-N 1 2 349.456 0.737 20 30 ECEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295556185 265070212 /nfs/dbraw/zinc/07/02/12/265070212.db2.gz XOKMPKKUFWVFNG-IRXDYDNUSA-N 1 2 349.456 0.737 20 30 ECEDLO CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1nncn1C ZINC000343937864 265893111 /nfs/dbraw/zinc/89/31/11/265893111.db2.gz KRCJAZJBJRQMDZ-CQSZACIVSA-N 1 2 348.432 0.842 20 30 ECEDLO CCOCC[C@H](O)C[N@@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000376090800 266283763 /nfs/dbraw/zinc/28/37/63/266283763.db2.gz AALXABARLLSNHB-KRWDZBQOSA-N 1 2 331.416 0.990 20 30 ECEDLO CCOCC[C@H](O)C[N@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000376090800 266283769 /nfs/dbraw/zinc/28/37/69/266283769.db2.gz AALXABARLLSNHB-KRWDZBQOSA-N 1 2 331.416 0.990 20 30 ECEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000354175529 267068894 /nfs/dbraw/zinc/06/88/94/267068894.db2.gz UNICBYAMCZQLKB-LLVKDONJSA-N 1 2 334.351 0.473 20 30 ECEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000354175529 267068896 /nfs/dbraw/zinc/06/88/96/267068896.db2.gz UNICBYAMCZQLKB-LLVKDONJSA-N 1 2 334.351 0.473 20 30 ECEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000293777269 267088884 /nfs/dbraw/zinc/08/88/84/267088884.db2.gz SQMCGLQSLHXVTL-OCCSQVGLSA-N 1 2 343.387 0.213 20 30 ECEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000290938792 267109483 /nfs/dbraw/zinc/10/94/83/267109483.db2.gz WAYJEFIPEIZVTM-CZUORRHYSA-N 1 2 342.399 0.818 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193770752 267123752 /nfs/dbraw/zinc/12/37/52/267123752.db2.gz QUXZMYINHHQLHS-CQSZACIVSA-N 1 2 326.404 0.836 20 30 ECEDLO C[C@H](C(=O)N1CCN(c2ccccc2C#N)CC1)[NH+]1CCOCC1 ZINC000338106327 267128346 /nfs/dbraw/zinc/12/83/46/267128346.db2.gz KMVUMLXBHIJSMN-OAHLLOKOSA-N 1 2 328.416 0.928 20 30 ECEDLO Cc1cc(N2CC[NH+]([C@H](C)C(=O)N3CCOCC3)CC2)cc(C#N)n1 ZINC000342802884 267338634 /nfs/dbraw/zinc/33/86/34/267338634.db2.gz RMTXPZXGZGSERE-OAHLLOKOSA-N 1 2 343.431 0.631 20 30 ECEDLO N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1F ZINC000354494749 268136688 /nfs/dbraw/zinc/13/66/88/268136688.db2.gz DKKUZZNGFZRISK-LBPRGKRZSA-N 1 2 327.319 0.964 20 30 ECEDLO N#Cc1cccc(N2CCN(C(=O)NCCn3cc[nH+]c3)CC2)n1 ZINC000354862112 268260240 /nfs/dbraw/zinc/26/02/40/268260240.db2.gz MQPAYTHFSCYEDW-UHFFFAOYSA-N 1 2 325.376 0.682 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H]3C(=O)NC[C@H]3C2)c1 ZINC000377658728 268275455 /nfs/dbraw/zinc/27/54/55/268275455.db2.gz YFQOGKLKKWALID-DZGCQCFKSA-N 1 2 333.413 0.400 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H]3C(=O)NC[C@H]3C2)c1 ZINC000377658728 268275459 /nfs/dbraw/zinc/27/54/59/268275459.db2.gz YFQOGKLKKWALID-DZGCQCFKSA-N 1 2 333.413 0.400 20 30 ECEDLO N#Cc1ccnc(N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)c1[N+](=O)[O-] ZINC000363893080 268293788 /nfs/dbraw/zinc/29/37/88/268293788.db2.gz XZJJUJWNOHIYIM-CYBMUJFWSA-N 1 2 344.375 0.652 20 30 ECEDLO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCN(c2ncns2)CC1 ZINC000528522014 268301836 /nfs/dbraw/zinc/30/18/36/268301836.db2.gz QQOQBBZQKNBHCX-CQSZACIVSA-N 1 2 345.428 0.972 20 30 ECEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000329654512 289044185 /nfs/dbraw/zinc/04/41/85/289044185.db2.gz LSJHGEZVULGSKT-HZSPNIEDSA-N 1 2 334.424 0.302 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CNC(=O)c1ccccc1 ZINC000072656392 436051934 /nfs/dbraw/zinc/05/19/34/436051934.db2.gz GTTVJXXPXOLAQA-UHFFFAOYSA-N 1 2 344.415 0.491 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2ncnc3c2cnn3C)CC1 ZINC000023662311 436127348 /nfs/dbraw/zinc/12/73/48/436127348.db2.gz XOLVAVKFBPENRH-GFCCVEGCSA-N 1 2 329.408 0.176 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(C(=O)NC)cc2)CC1 ZINC000074230120 436117073 /nfs/dbraw/zinc/11/70/73/436117073.db2.gz YXZHDMUSBKZPCL-UHFFFAOYSA-N 1 2 330.432 0.466 20 30 ECEDLO Cc1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)ccc1C#N ZINC000416670999 301393962 /nfs/dbraw/zinc/39/39/62/301393962.db2.gz UYWVGERJTCCWLA-KGLIPLIRSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)ccc1C#N ZINC000416670999 301393965 /nfs/dbraw/zinc/39/39/65/301393965.db2.gz UYWVGERJTCCWLA-KGLIPLIRSA-N 1 2 337.445 0.942 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(CCCN3C(=O)CNC3=O)CC2)cc1 ZINC000077409863 436235702 /nfs/dbraw/zinc/23/57/02/436235702.db2.gz VJUITAFMBYBHOZ-UHFFFAOYSA-N 1 2 341.415 0.618 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(F)c(F)c2)CC1 ZINC000087304501 436396571 /nfs/dbraw/zinc/39/65/71/436396571.db2.gz AKJMJGPDQFYOKO-UHFFFAOYSA-N 1 2 349.381 0.791 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(F)c(F)c2)CC1 ZINC000087304501 436396574 /nfs/dbraw/zinc/39/65/74/436396574.db2.gz AKJMJGPDQFYOKO-UHFFFAOYSA-N 1 2 349.381 0.791 20 30 ECEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2ccc(C#N)cn2)CC1 ZINC000088212514 436398866 /nfs/dbraw/zinc/39/88/66/436398866.db2.gz HHPPIMHZYKVVIH-AWEZNQCLSA-N 1 2 341.415 0.722 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)OCC)C1 ZINC000047796556 436431924 /nfs/dbraw/zinc/43/19/24/436431924.db2.gz XPRCFMNDKJRTBC-NWDGAFQWSA-N 1 2 326.397 0.597 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)OCC)C1 ZINC000047796556 436431928 /nfs/dbraw/zinc/43/19/28/436431928.db2.gz XPRCFMNDKJRTBC-NWDGAFQWSA-N 1 2 326.397 0.597 20 30 ECEDLO C[C@H](C#N)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000091268658 436449605 /nfs/dbraw/zinc/44/96/05/436449605.db2.gz XRNNVHXOEMRYKV-CQSZACIVSA-N 1 2 343.431 0.648 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000052685260 436513535 /nfs/dbraw/zinc/51/35/35/436513535.db2.gz MZYZVLAZBIKUCO-INIZCTEOSA-N 1 2 336.480 0.697 20 30 ECEDLO C=CCNC(=O)[C@H](C)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000052685260 436513540 /nfs/dbraw/zinc/51/35/40/436513540.db2.gz MZYZVLAZBIKUCO-INIZCTEOSA-N 1 2 336.480 0.697 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+]([C@H](C)C(=O)N2CCCCCC2)CC1 ZINC000053423636 436532236 /nfs/dbraw/zinc/53/22/36/436532236.db2.gz BFVFUGXUIROLPE-MRXNPFEDSA-N 1 2 336.480 0.697 20 30 ECEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(S(=O)(=O)CCCC#N)CC1 ZINC000104111152 436556642 /nfs/dbraw/zinc/55/66/42/436556642.db2.gz AUSOMFHZKXCRIX-UHFFFAOYSA-N 1 2 344.481 0.496 20 30 ECEDLO CCN(CC)C(=O)C[N@H+]1CCCN(S(=O)(=O)CCCC#N)CC1 ZINC000104111152 436556645 /nfs/dbraw/zinc/55/66/45/436556645.db2.gz AUSOMFHZKXCRIX-UHFFFAOYSA-N 1 2 344.481 0.496 20 30 ECEDLO C=CC[N@@H+](C[C@H](O)COCc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000121181120 436710134 /nfs/dbraw/zinc/71/01/34/436710134.db2.gz JQGWRKJIAQLJIR-KGLIPLIRSA-N 1 2 329.418 0.832 20 30 ECEDLO C=CC[N@H+](C[C@H](O)COCc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000121181120 436710138 /nfs/dbraw/zinc/71/01/38/436710138.db2.gz JQGWRKJIAQLJIR-KGLIPLIRSA-N 1 2 329.418 0.832 20 30 ECEDLO C=CCc1cc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)cc(OC)c1O ZINC000271269027 436680138 /nfs/dbraw/zinc/68/01/38/436680138.db2.gz MPZNUDCTBKFTQP-CQSZACIVSA-N 1 2 345.399 0.272 20 30 ECEDLO C=CCc1cc(C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)cc(OC)c1O ZINC000271269027 436680140 /nfs/dbraw/zinc/68/01/40/436680140.db2.gz MPZNUDCTBKFTQP-CQSZACIVSA-N 1 2 345.399 0.272 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)COc2ccccc2)CC1 ZINC000066425736 436684610 /nfs/dbraw/zinc/68/46/10/436684610.db2.gz UXAHOMRUFRQIRE-UHFFFAOYSA-N 1 2 329.400 0.349 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)COc2ccccc2)CC1 ZINC000066425736 436684616 /nfs/dbraw/zinc/68/46/16/436684616.db2.gz UXAHOMRUFRQIRE-UHFFFAOYSA-N 1 2 329.400 0.349 20 30 ECEDLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000123236414 436739709 /nfs/dbraw/zinc/73/97/09/436739709.db2.gz VAFLTEGAFMVGPJ-ZDUSSCGKSA-N 1 2 341.408 0.775 20 30 ECEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000121515593 436718475 /nfs/dbraw/zinc/71/84/75/436718475.db2.gz KUNXTYXTTUBIOV-HNNXBMFYSA-N 1 2 327.388 0.421 20 30 ECEDLO C#CC[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC)C1CC1 ZINC000274214554 436808171 /nfs/dbraw/zinc/80/81/71/436808171.db2.gz UIRNORKLLHPMNC-UHFFFAOYSA-N 1 2 337.401 0.379 20 30 ECEDLO C#CC[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC)C1CC1 ZINC000274214554 436808174 /nfs/dbraw/zinc/80/81/74/436808174.db2.gz UIRNORKLLHPMNC-UHFFFAOYSA-N 1 2 337.401 0.379 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1 ZINC000274235395 436809066 /nfs/dbraw/zinc/80/90/66/436809066.db2.gz PZZQEMPHNAKTQB-INIZCTEOSA-N 1 2 341.415 0.710 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1 ZINC000274235395 436809070 /nfs/dbraw/zinc/80/90/70/436809070.db2.gz PZZQEMPHNAKTQB-INIZCTEOSA-N 1 2 341.415 0.710 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2c3ccccc3n(CC)c2=O)CC1 ZINC000128313082 436814391 /nfs/dbraw/zinc/81/43/91/436814391.db2.gz SRYGEXNTSKBHJY-UHFFFAOYSA-N 1 2 326.400 0.600 20 30 ECEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)N1CCN(c2ncccn2)CC1 ZINC000245736005 436768792 /nfs/dbraw/zinc/76/87/92/436768792.db2.gz DBPSTDXHOXEEFP-HUUCEWRRSA-N 1 2 330.436 0.995 20 30 ECEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)N1CCN(c2ncccn2)CC1 ZINC000245736005 436768794 /nfs/dbraw/zinc/76/87/94/436768794.db2.gz DBPSTDXHOXEEFP-HUUCEWRRSA-N 1 2 330.436 0.995 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1[nH]cc[nH+]1 ZINC000125379531 436769894 /nfs/dbraw/zinc/76/98/94/436769894.db2.gz UVKUMBKHFXANSH-SNVBAGLBSA-N 1 2 333.373 0.265 20 30 ECEDLO C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000126305107 436784553 /nfs/dbraw/zinc/78/45/53/436784553.db2.gz UROOOMSBDCKHIF-WFASDCNBSA-N 1 2 335.429 0.682 20 30 ECEDLO C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000126305107 436784556 /nfs/dbraw/zinc/78/45/56/436784556.db2.gz UROOOMSBDCKHIF-WFASDCNBSA-N 1 2 335.429 0.682 20 30 ECEDLO N#Cc1ccc([C@H](O)C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000126637525 436789102 /nfs/dbraw/zinc/78/91/02/436789102.db2.gz NMSVDQFBFOIIIJ-SJORKVTESA-N 1 2 329.400 0.915 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000155641585 436799740 /nfs/dbraw/zinc/79/97/40/436799740.db2.gz NCFAHUAYTDPCGI-AWEZNQCLSA-N 1 2 341.419 0.621 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000155641585 436799742 /nfs/dbraw/zinc/79/97/42/436799742.db2.gz NCFAHUAYTDPCGI-AWEZNQCLSA-N 1 2 341.419 0.621 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000155722068 436801943 /nfs/dbraw/zinc/80/19/43/436801943.db2.gz YUAUVHUMHYFSJD-GFCCVEGCSA-N 1 2 342.363 0.664 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000155722068 436801946 /nfs/dbraw/zinc/80/19/46/436801946.db2.gz YUAUVHUMHYFSJD-GFCCVEGCSA-N 1 2 342.363 0.664 20 30 ECEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H](C(=O)NC)C1 ZINC000248448256 436803967 /nfs/dbraw/zinc/80/39/67/436803967.db2.gz NXGHENYLQYVNDT-WBVHZDCISA-N 1 2 334.416 0.602 20 30 ECEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H](C(=O)NC)C1 ZINC000248448256 436803969 /nfs/dbraw/zinc/80/39/69/436803969.db2.gz NXGHENYLQYVNDT-WBVHZDCISA-N 1 2 334.416 0.602 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2nc(C)c([C@@H](C)C(=O)OC)c2C)CC1 ZINC000159272865 436855407 /nfs/dbraw/zinc/85/54/07/436855407.db2.gz YPBRXTUZPMNVNE-CYBMUJFWSA-N 1 2 346.431 0.554 20 30 ECEDLO C#CCn1ccc(C[N@@H+](CC)[C@H]2CCN(c3cnn(C)c3)C2=O)n1 ZINC000279658839 436830379 /nfs/dbraw/zinc/83/03/79/436830379.db2.gz CPCDATACLQXDDI-INIZCTEOSA-N 1 2 326.404 0.877 20 30 ECEDLO C#CCn1ccc(C[N@H+](CC)[C@H]2CCN(c3cnn(C)c3)C2=O)n1 ZINC000279658839 436830382 /nfs/dbraw/zinc/83/03/82/436830382.db2.gz CPCDATACLQXDDI-INIZCTEOSA-N 1 2 326.404 0.877 20 30 ECEDLO CCN(Cc1ccc(OC)c(OC)c1)C(=O)CO[NH+]=C(N)CCO ZINC000275426888 436967532 /nfs/dbraw/zinc/96/75/32/436967532.db2.gz FMCIVWSCDVQJPQ-UHFFFAOYSA-N 1 2 339.392 0.724 20 30 ECEDLO C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000297758627 437018534 /nfs/dbraw/zinc/01/85/34/437018534.db2.gz LKBBCOARABMZQL-CABCVRRESA-N 1 2 343.431 0.905 20 30 ECEDLO C#CCN(CC)C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000264308629 437019632 /nfs/dbraw/zinc/01/96/32/437019632.db2.gz PRFXJZLRXQMDFQ-UHFFFAOYSA-N 1 2 343.431 0.948 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000282896932 437022074 /nfs/dbraw/zinc/02/20/74/437022074.db2.gz RCBZGJRYEZUKHQ-CQSZACIVSA-N 1 2 337.449 0.535 20 30 ECEDLO C#CCN(C)C(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000297968776 437022130 /nfs/dbraw/zinc/02/21/30/437022130.db2.gz XNSRGWLDWMUDJE-UHFFFAOYSA-N 1 2 331.391 0.952 20 30 ECEDLO C#CCN(C)C(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000297968776 437022134 /nfs/dbraw/zinc/02/21/34/437022134.db2.gz 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333.392 0.003 20 30 ECEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)CCCCC1 ZINC000279130070 303145258 /nfs/dbraw/zinc/14/52/58/303145258.db2.gz VZIXYALTRYFRJV-MRXNPFEDSA-N 1 2 333.392 0.003 20 30 ECEDLO N#C[C@@H]1COCCN1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000174859061 437089813 /nfs/dbraw/zinc/08/98/13/437089813.db2.gz GXSHFUBHRLHAKF-OAHLLOKOSA-N 1 2 329.404 0.345 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)COc1cccc(C=O)c1 ZINC000264872361 437099257 /nfs/dbraw/zinc/09/92/57/437099257.db2.gz IGPHMRJAZIBXCC-UHFFFAOYSA-N 1 2 345.399 0.952 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000331474479 437103063 /nfs/dbraw/zinc/10/30/63/437103063.db2.gz MODKWBFDWSHSTN-GXTWGEPZSA-N 1 2 330.454 0.166 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000331474479 437103065 /nfs/dbraw/zinc/10/30/65/437103065.db2.gz MODKWBFDWSHSTN-GXTWGEPZSA-N 1 2 330.454 0.166 20 30 ECEDLO C=CCSCCNC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000286582222 437103619 /nfs/dbraw/zinc/10/36/19/437103619.db2.gz VBZOWAQXUFOCGT-UHFFFAOYSA-N 1 2 329.466 0.249 20 30 ECEDLO C=CCSCCNC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000286582222 437103620 /nfs/dbraw/zinc/10/36/20/437103620.db2.gz VBZOWAQXUFOCGT-UHFFFAOYSA-N 1 2 329.466 0.249 20 30 ECEDLO N#Cc1ncn(CCNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000286595954 437106148 /nfs/dbraw/zinc/10/61/48/437106148.db2.gz DVVWLLGTDFZCEF-LBPRGKRZSA-N 1 2 326.364 0.123 20 30 ECEDLO CC(=O)NC[C@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000265466928 437135510 /nfs/dbraw/zinc/13/55/10/437135510.db2.gz OKPHFZHBRDIMKK-WBVHZDCISA-N 1 2 333.388 0.135 20 30 ECEDLO CC(=O)NC[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000265466928 437135515 /nfs/dbraw/zinc/13/55/15/437135515.db2.gz OKPHFZHBRDIMKK-WBVHZDCISA-N 1 2 333.388 0.135 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000331966769 437187278 /nfs/dbraw/zinc/18/72/78/437187278.db2.gz KYKQUBVKUPNWHB-AWEZNQCLSA-N 1 2 331.482 0.767 20 30 ECEDLO 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CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCOc1ccc(C#N)cc1 ZINC000354190043 437554176 /nfs/dbraw/zinc/55/41/76/437554176.db2.gz JZXPUFCZBWOFIT-UHFFFAOYSA-N 1 2 332.404 0.510 20 30 ECEDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000330638749 437575668 /nfs/dbraw/zinc/57/56/68/437575668.db2.gz WCKUDSNRTDURAA-UMVBOHGHSA-N 1 2 344.481 0.443 20 30 ECEDLO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000330638749 437575669 /nfs/dbraw/zinc/57/56/69/437575669.db2.gz WCKUDSNRTDURAA-UMVBOHGHSA-N 1 2 344.481 0.443 20 30 ECEDLO CC(C)CNC(=O)NC(=O)CN1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000330641100 437575781 /nfs/dbraw/zinc/57/57/81/437575781.db2.gz CVSQBOPAMQARMY-UHFFFAOYSA-N 1 2 336.440 0.224 20 30 ECEDLO C=C(C)CN(C)C(=O)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000340116515 437576883 /nfs/dbraw/zinc/57/68/83/437576883.db2.gz GNFDGROGLGSYGT-UHFFFAOYSA-N 1 2 332.404 0.569 20 30 ECEDLO C[C@H](C[S@@](C)=O)NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000330821218 437626208 /nfs/dbraw/zinc/62/62/08/437626208.db2.gz QRJXVSXPNNCPEF-SFDCACGMSA-N 1 2 340.449 0.689 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2nnc(CC)[nH]2)CC1 ZINC000190653693 437633516 /nfs/dbraw/zinc/63/35/16/437633516.db2.gz PDDDVLYTKQCHJE-LLVKDONJSA-N 1 2 334.424 0.947 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2nc(CC)n[nH]2)CC1 ZINC000190653693 437633521 /nfs/dbraw/zinc/63/35/21/437633521.db2.gz PDDDVLYTKQCHJE-LLVKDONJSA-N 1 2 334.424 0.947 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2n[nH]c(CC)n2)CC1 ZINC000190653693 437633528 /nfs/dbraw/zinc/63/35/28/437633528.db2.gz PDDDVLYTKQCHJE-LLVKDONJSA-N 1 2 334.424 0.947 20 30 ECEDLO C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCS1(=O)=O ZINC000330896822 437643331 /nfs/dbraw/zinc/64/33/31/437643331.db2.gz SYYXSAIIQVRFRG-NEPJUHHUSA-N 1 2 346.453 0.409 20 30 ECEDLO C[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CCS1(=O)=O ZINC000330896822 437643336 /nfs/dbraw/zinc/64/33/36/437643336.db2.gz SYYXSAIIQVRFRG-NEPJUHHUSA-N 1 2 346.453 0.409 20 30 ECEDLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)Nc2cc(C(C)(C)C)nn2C)C1 ZINC000330951049 437655317 /nfs/dbraw/zinc/65/53/17/437655317.db2.gz PFTFAOJALZCWLT-LLVKDONJSA-N 1 2 336.440 0.864 20 30 ECEDLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)Nc2cc(C(C)(C)C)nn2C)C1 ZINC000330951049 437655318 /nfs/dbraw/zinc/65/53/18/437655318.db2.gz PFTFAOJALZCWLT-LLVKDONJSA-N 1 2 336.440 0.864 20 30 ECEDLO C=C(C)COCCNC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000361106978 437656763 /nfs/dbraw/zinc/65/67/63/437656763.db2.gz YPKABDXBVLIQAS-AWEZNQCLSA-N 1 2 349.435 0.803 20 30 ECEDLO COC(=O)c1cn([C@H]2CC[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)nn1 ZINC000355034923 437663991 /nfs/dbraw/zinc/66/39/91/437663991.db2.gz LPCSXVIBGXUKCF-BLLLJJGKSA-N 1 2 346.391 0.120 20 30 ECEDLO COC(=O)c1cn([C@H]2CC[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)nn1 ZINC000355034923 437663994 /nfs/dbraw/zinc/66/39/94/437663994.db2.gz LPCSXVIBGXUKCF-BLLLJJGKSA-N 1 2 346.391 0.120 20 30 ECEDLO C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355110675 437671628 /nfs/dbraw/zinc/67/16/28/437671628.db2.gz WUMKFOCOPJYAKN-HOCLYGCPSA-N 1 2 343.431 0.759 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355131014 437675223 /nfs/dbraw/zinc/67/52/23/437675223.db2.gz UYUPELCUIUMTAQ-AWEZNQCLSA-N 1 2 326.404 0.836 20 30 ECEDLO CC#CCCNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000361646157 437678761 /nfs/dbraw/zinc/67/87/61/437678761.db2.gz UUZDYGFYLNURTD-UHFFFAOYSA-N 1 2 327.392 0.608 20 30 ECEDLO C=C[C@H](CO)NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000292361673 437682515 /nfs/dbraw/zinc/68/25/15/437682515.db2.gz JZHNBAWIGXNRHB-CQSZACIVSA-N 1 2 346.431 0.936 20 30 ECEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)NC(=O)NCC(C)C ZINC000331139730 437697784 /nfs/dbraw/zinc/69/77/84/437697784.db2.gz DZTWTLMCSNSYHX-NEPJUHHUSA-N 1 2 348.469 0.075 20 30 ECEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)NC(=O)NCC(C)C ZINC000331139730 437697788 /nfs/dbraw/zinc/69/77/88/437697788.db2.gz DZTWTLMCSNSYHX-NEPJUHHUSA-N 1 2 348.469 0.075 20 30 ECEDLO C=CCN(C(=O)[C@H]1C[N@H+](C(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 ZINC000355267450 437693418 /nfs/dbraw/zinc/69/34/18/437693418.db2.gz QQKILTAOZGDQOM-UONOGXRCSA-N 1 2 330.450 0.297 20 30 ECEDLO C=CCN(C(=O)[C@H]1C[N@@H+](C(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 ZINC000355267450 437693423 /nfs/dbraw/zinc/69/34/23/437693423.db2.gz QQKILTAOZGDQOM-UONOGXRCSA-N 1 2 330.450 0.297 20 30 ECEDLO CNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2cccc(C#N)c2)CC1 ZINC000363153934 437769956 /nfs/dbraw/zinc/76/99/56/437769956.db2.gz CHCJCDMGICAXOO-VOTSOKGWSA-N 1 2 326.400 0.852 20 30 ECEDLO CNC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2cccc(C#N)c2)CC1 ZINC000363153934 437769962 /nfs/dbraw/zinc/76/99/62/437769962.db2.gz CHCJCDMGICAXOO-VOTSOKGWSA-N 1 2 326.400 0.852 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000331243456 437725076 /nfs/dbraw/zinc/72/50/76/437725076.db2.gz ODLBDMOWVUBNQP-KBPBESRZSA-N 1 2 342.465 0.247 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000331243456 437725080 /nfs/dbraw/zinc/72/50/80/437725080.db2.gz ODLBDMOWVUBNQP-KBPBESRZSA-N 1 2 342.465 0.247 20 30 ECEDLO CO[C@H](C)CNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000331271598 437731204 /nfs/dbraw/zinc/73/12/04/437731204.db2.gz BMOSZEWRHBRELY-GFCCVEGCSA-N 1 2 335.408 0.830 20 30 ECEDLO C=CCOc1cc(OC)ccc1C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000344104441 437731687 /nfs/dbraw/zinc/73/16/87/437731687.db2.gz RERIOHDJQFQPES-UHFFFAOYSA-N 1 2 347.415 0.812 20 30 ECEDLO C=CCOc1cc(OC)ccc1C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000344104441 437731689 /nfs/dbraw/zinc/73/16/89/437731689.db2.gz RERIOHDJQFQPES-UHFFFAOYSA-N 1 2 347.415 0.812 20 30 ECEDLO Cn1cc(N2CC[C@H]([NH2+][C@@H](C(N)=O)c3ccc(C#N)cc3)C2=O)cn1 ZINC000344575266 437760695 /nfs/dbraw/zinc/76/06/95/437760695.db2.gz BXFJUKKGKWIKHS-LSDHHAIUSA-N 1 2 338.371 0.213 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000370666418 437816836 /nfs/dbraw/zinc/81/68/36/437816836.db2.gz HENSUYDGIRNRPE-HZSPNIEDSA-N 1 2 334.420 0.307 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000370666418 437816841 /nfs/dbraw/zinc/81/68/41/437816841.db2.gz HENSUYDGIRNRPE-HZSPNIEDSA-N 1 2 334.420 0.307 20 30 ECEDLO CNC(=O)C[N@@H+]1CCCN(C(=O)CSc2ccc(C#N)cc2)CC1 ZINC000371530889 437952944 /nfs/dbraw/zinc/95/29/44/437952944.db2.gz NEFDADDRBRWOCL-UHFFFAOYSA-N 1 2 346.456 0.931 20 30 ECEDLO CNC(=O)C[N@H+]1CCCN(C(=O)CSc2ccc(C#N)cc2)CC1 ZINC000371530889 437952947 /nfs/dbraw/zinc/95/29/47/437952947.db2.gz NEFDADDRBRWOCL-UHFFFAOYSA-N 1 2 346.456 0.931 20 30 ECEDLO COCC(COC)[NH+]1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1 ZINC000416568895 437962254 /nfs/dbraw/zinc/96/22/54/437962254.db2.gz IGSCYYXRDMSXEK-UHFFFAOYSA-N 1 2 347.481 0.535 20 30 ECEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000348193018 438028455 /nfs/dbraw/zinc/02/84/55/438028455.db2.gz ZCPOKXZRGOXVOY-XXFAHNHDSA-N 1 2 348.428 0.358 20 30 ECEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000348193018 438028458 /nfs/dbraw/zinc/02/84/58/438028458.db2.gz ZCPOKXZRGOXVOY-XXFAHNHDSA-N 1 2 348.428 0.358 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000372175050 438045153 /nfs/dbraw/zinc/04/51/53/438045153.db2.gz DOPFOFCHTCYQBC-CABCVRRESA-N 1 2 343.493 0.978 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000372175050 438045158 /nfs/dbraw/zinc/04/51/58/438045158.db2.gz DOPFOFCHTCYQBC-CABCVRRESA-N 1 2 343.493 0.978 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCc1ccc(=O)[nH]c1 ZINC000426136303 438049246 /nfs/dbraw/zinc/04/92/46/438049246.db2.gz LLXSSTHDBMKTLD-UHFFFAOYSA-N 1 2 332.404 0.794 20 30 ECEDLO C=CCOc1cccnc1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000342369680 438011827 /nfs/dbraw/zinc/01/18/27/438011827.db2.gz GWZIRKSDUFOSBT-AWEZNQCLSA-N 1 2 335.404 0.412 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N(C)C)C1 ZINC000372279052 438061528 /nfs/dbraw/zinc/06/15/28/438061528.db2.gz WKGMVXLQCORFOB-CHWSQXEVSA-N 1 2 331.420 0.429 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N(C)C)C1 ZINC000372279052 438061530 /nfs/dbraw/zinc/06/15/30/438061530.db2.gz WKGMVXLQCORFOB-CHWSQXEVSA-N 1 2 331.420 0.429 20 30 ECEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370354 438079677 /nfs/dbraw/zinc/07/96/77/438079677.db2.gz QPVXEBFTSKRWAP-IEBWSBKVSA-N 1 2 347.507 0.895 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000372730144 438109197 /nfs/dbraw/zinc/10/91/97/438109197.db2.gz YTXCTYPKRWCUPQ-DZGCQCFKSA-N 1 2 343.493 0.956 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000372730144 438109203 /nfs/dbraw/zinc/10/92/03/438109203.db2.gz YTXCTYPKRWCUPQ-DZGCQCFKSA-N 1 2 343.493 0.956 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCO[C@H]2C(C)C)CC1 ZINC000373083399 438128053 /nfs/dbraw/zinc/12/80/53/438128053.db2.gz GVASLGVMVNDDFQ-RDJZCZTQSA-N 1 2 335.448 0.331 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCO[C@H]2C(C)C)CC1 ZINC000373083399 438128058 /nfs/dbraw/zinc/12/80/58/438128058.db2.gz GVASLGVMVNDDFQ-RDJZCZTQSA-N 1 2 335.448 0.331 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)C2CCOCC2)CC1 ZINC000366841757 438134844 /nfs/dbraw/zinc/13/48/44/438134844.db2.gz KSAGCDQXYHPDLE-HNNXBMFYSA-N 1 2 335.448 0.333 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)C2CCOCC2)CC1 ZINC000366841757 438134847 /nfs/dbraw/zinc/13/48/47/438134847.db2.gz KSAGCDQXYHPDLE-HNNXBMFYSA-N 1 2 335.448 0.333 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2ccc(C#N)o2)CC1 ZINC000431739308 438169874 /nfs/dbraw/zinc/16/98/74/438169874.db2.gz LIVBYBTUIZWBGD-UHFFFAOYSA-N 1 2 337.343 0.790 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2C[C@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000374503972 438214628 /nfs/dbraw/zinc/21/46/28/438214628.db2.gz KHUFRPFPOQWSQQ-FVCCEPFGSA-N 1 2 339.392 0.182 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2C[C@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000374503972 438214631 /nfs/dbraw/zinc/21/46/31/438214631.db2.gz KHUFRPFPOQWSQQ-FVCCEPFGSA-N 1 2 339.392 0.182 20 30 ECEDLO C#CCSCCNC(=O)N1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000374757505 438228528 /nfs/dbraw/zinc/22/85/28/438228528.db2.gz CLFKKEGGWZADSS-UHFFFAOYSA-N 1 2 338.477 0.301 20 30 ECEDLO C#CCSCCNC(=O)N1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000374757505 438228532 /nfs/dbraw/zinc/22/85/32/438228532.db2.gz CLFKKEGGWZADSS-UHFFFAOYSA-N 1 2 338.477 0.301 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000375697487 438259995 /nfs/dbraw/zinc/25/99/95/438259995.db2.gz NLVBRCUBJPDLPM-UONOGXRCSA-N 1 2 330.454 0.119 20 30 ECEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCCn2cnc(C#N)n2)C1 ZINC000377211486 438303711 /nfs/dbraw/zinc/30/37/11/438303711.db2.gz DLVJWMOIHVAOHB-CYBMUJFWSA-N 1 2 342.407 0.548 20 30 ECEDLO CNC(=O)C[N@@H+]1CCCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000368830303 438388226 /nfs/dbraw/zinc/38/82/26/438388226.db2.gz PREGHQSXFLOQAZ-UHFFFAOYSA-N 1 2 335.452 0.083 20 30 ECEDLO CNC(=O)C[N@H+]1CCCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000368830303 438388229 /nfs/dbraw/zinc/38/82/29/438388229.db2.gz PREGHQSXFLOQAZ-UHFFFAOYSA-N 1 2 335.452 0.083 20 30 ECEDLO CNC(=O)CN1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000368830303 438388233 /nfs/dbraw/zinc/38/82/33/438388233.db2.gz PREGHQSXFLOQAZ-UHFFFAOYSA-N 1 2 335.452 0.083 20 30 ECEDLO CNC(=O)CN1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000368830303 438388236 /nfs/dbraw/zinc/38/82/36/438388236.db2.gz PREGHQSXFLOQAZ-UHFFFAOYSA-N 1 2 335.452 0.083 20 30 ECEDLO CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCCn2cc[nH+]c2)n1 ZINC000359059439 438350974 /nfs/dbraw/zinc/35/09/74/438350974.db2.gz ZSDAUKQGAKWPKZ-UHFFFAOYSA-N 1 2 343.391 0.851 20 30 ECEDLO C=CCC[C@H]1NC(=O)N(CC[NH+]2CCN(C(=O)C3CCC3)CC2)C1=O ZINC000419999690 438382224 /nfs/dbraw/zinc/38/22/24/438382224.db2.gz NDMIDNSVHUXVCT-OAHLLOKOSA-N 1 2 348.447 0.817 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2(CC)CCOCC2)CC1 ZINC000378499690 438394586 /nfs/dbraw/zinc/39/45/86/438394586.db2.gz SSZVPZSVQANEPT-UHFFFAOYSA-N 1 2 335.448 0.477 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(CC)CCOCC2)CC1 ZINC000378499690 438394591 /nfs/dbraw/zinc/39/45/91/438394591.db2.gz SSZVPZSVQANEPT-UHFFFAOYSA-N 1 2 335.448 0.477 20 30 ECEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000369060859 438419645 /nfs/dbraw/zinc/41/96/45/438419645.db2.gz CMLQQTXYYUBIFQ-OAHLLOKOSA-N 1 2 331.420 0.633 20 30 ECEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000369060859 438419648 /nfs/dbraw/zinc/41/96/48/438419648.db2.gz CMLQQTXYYUBIFQ-OAHLLOKOSA-N 1 2 331.420 0.633 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(=O)[nH]n2)CC1 ZINC000369191746 438436693 /nfs/dbraw/zinc/43/66/93/438436693.db2.gz LPTKTXYDLCGVTJ-CQSZACIVSA-N 1 2 331.420 0.893 20 30 ECEDLO C=C[C@H](CO)NC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000359473936 438443779 /nfs/dbraw/zinc/44/37/79/438443779.db2.gz FTIYORVNCCRTSF-AXAPSJFSSA-N 1 2 347.419 0.461 20 30 ECEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000352784913 438474952 /nfs/dbraw/zinc/47/49/52/438474952.db2.gz SKFHQYCBIIZKOM-GJZGRUSLSA-N 1 2 345.399 0.391 20 30 ECEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000352784913 438474955 /nfs/dbraw/zinc/47/49/55/438474955.db2.gz SKFHQYCBIIZKOM-GJZGRUSLSA-N 1 2 345.399 0.391 20 30 ECEDLO C[C@@H](CNS(=O)(=O)CC1(C#N)CCCC1)C[NH+]1CCOCC1 ZINC000352874803 438486160 /nfs/dbraw/zinc/48/61/60/438486160.db2.gz WLSDBLQHVICVQD-AWEZNQCLSA-N 1 2 329.466 0.958 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000408016815 438488361 /nfs/dbraw/zinc/48/83/61/438488361.db2.gz NKTNTEHUEXMVNF-HZSPNIEDSA-N 1 2 330.454 0.118 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000408016815 438488364 /nfs/dbraw/zinc/48/83/64/438488364.db2.gz NKTNTEHUEXMVNF-HZSPNIEDSA-N 1 2 330.454 0.118 20 30 ECEDLO C[NH+]1CCN(C[C@H]2CCCN(C(=O)C3(C#N)CCOCC3)C2)CC1 ZINC000369311038 438453128 /nfs/dbraw/zinc/45/31/28/438453128.db2.gz UJDIGWZFGJTCAV-MRXNPFEDSA-N 1 2 334.464 0.793 20 30 ECEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H]3CS(N)(=O)=O)o2)c1 ZINC000440647427 438558603 /nfs/dbraw/zinc/55/86/03/438558603.db2.gz HHHXTPCPDWXTGN-CYBMUJFWSA-N 1 2 347.400 0.861 20 30 ECEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H]3CS(N)(=O)=O)o2)c1 ZINC000440647427 438558606 /nfs/dbraw/zinc/55/86/06/438558606.db2.gz HHHXTPCPDWXTGN-CYBMUJFWSA-N 1 2 347.400 0.861 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)C[C@H](C)[N@H+]1CCO ZINC000451886965 438611673 /nfs/dbraw/zinc/61/16/73/438611673.db2.gz DYTQFLBXBSIGBO-TXEJJXNPSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)C[C@H](C)[N@@H+]1CCO ZINC000451886965 438611676 /nfs/dbraw/zinc/61/16/76/438611676.db2.gz DYTQFLBXBSIGBO-TXEJJXNPSA-N 1 2 341.408 0.773 20 30 ECEDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(C#N)c(O)c2)[C@@H](C)C1 ZINC000442673249 438617884 /nfs/dbraw/zinc/61/78/84/438617884.db2.gz QZTHQQYBEIEORJ-LBPRGKRZSA-N 1 2 331.372 0.973 20 30 ECEDLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(C#N)c(O)c2)[C@@H](C)C1 ZINC000442673249 438617886 /nfs/dbraw/zinc/61/78/86/438617886.db2.gz QZTHQQYBEIEORJ-LBPRGKRZSA-N 1 2 331.372 0.973 20 30 ECEDLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(F)cc1C#N ZINC000443076328 438640254 /nfs/dbraw/zinc/64/02/54/438640254.db2.gz JXOUHTSQLZELEJ-ZDUSSCGKSA-N 1 2 326.397 0.221 20 30 ECEDLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(F)cc1C#N ZINC000443076328 438640257 /nfs/dbraw/zinc/64/02/57/438640257.db2.gz JXOUHTSQLZELEJ-ZDUSSCGKSA-N 1 2 326.397 0.221 20 30 ECEDLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000452109371 438642482 /nfs/dbraw/zinc/64/24/82/438642482.db2.gz YANUIMPSQQFYPH-LBPRGKRZSA-N 1 2 341.408 0.526 20 30 ECEDLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000452109371 438642486 /nfs/dbraw/zinc/64/24/86/438642486.db2.gz YANUIMPSQQFYPH-LBPRGKRZSA-N 1 2 341.408 0.526 20 30 ECEDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 ZINC000443220153 438648075 /nfs/dbraw/zinc/64/80/75/438648075.db2.gz VEBCXQGJLVIAML-UHFFFAOYSA-N 1 2 347.400 0.758 20 30 ECEDLO N#CCCn1ccc(NC(=O)C(=O)NCCCNc2cccc[nH+]2)n1 ZINC000444500007 438660146 /nfs/dbraw/zinc/66/01/46/438660146.db2.gz VJLBZNQJXDFDAE-UHFFFAOYSA-N 1 2 341.375 0.749 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2csc(C(=O)OC)c2)CC1 ZINC000411130404 438670701 /nfs/dbraw/zinc/67/07/01/438670701.db2.gz WKLWQEXYTHZJKH-UHFFFAOYSA-N 1 2 337.445 0.955 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000411691629 438680061 /nfs/dbraw/zinc/68/00/61/438680061.db2.gz JMESISUFUJPJBP-CYBMUJFWSA-N 1 2 342.465 0.247 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000411691629 438680065 /nfs/dbraw/zinc/68/00/65/438680065.db2.gz JMESISUFUJPJBP-CYBMUJFWSA-N 1 2 342.465 0.247 20 30 ECEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)c1 ZINC000453590136 438685341 /nfs/dbraw/zinc/68/53/41/438685341.db2.gz GOBNFICWLIHBOM-CYBMUJFWSA-N 1 2 330.388 0.642 20 30 ECEDLO Cn1ncc2c1nc(N)[nH+]c2N1CCN(c2cnccc2C#N)CC1 ZINC000574822121 438722597 /nfs/dbraw/zinc/72/25/97/438722597.db2.gz BFRPSPCRYKUJIX-UHFFFAOYSA-N 1 2 335.375 0.539 20 30 ECEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000494735126 438706981 /nfs/dbraw/zinc/70/69/81/438706981.db2.gz JODMPDQEBQTZHV-UONOGXRCSA-N 1 2 336.417 0.098 20 30 ECEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000494735126 438706983 /nfs/dbraw/zinc/70/69/83/438706983.db2.gz JODMPDQEBQTZHV-UONOGXRCSA-N 1 2 336.417 0.098 20 30 ECEDLO N#CCNC(=O)C[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000507259861 438806387 /nfs/dbraw/zinc/80/63/87/438806387.db2.gz BXNDIRFUTGVCIB-LLVKDONJSA-N 1 2 325.166 0.205 20 30 ECEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1)C1CC1 ZINC000555591870 438775197 /nfs/dbraw/zinc/77/51/97/438775197.db2.gz DQYJSNYCNXIWBS-GDBMZVCRSA-N 1 2 332.408 0.216 20 30 ECEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1)C1CC1 ZINC000555591870 438775201 /nfs/dbraw/zinc/77/52/01/438775201.db2.gz DQYJSNYCNXIWBS-GDBMZVCRSA-N 1 2 332.408 0.216 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cnc2c(C#N)cnn2c1 ZINC000577111238 438813758 /nfs/dbraw/zinc/81/37/58/438813758.db2.gz OZOPNXRSWXOQCZ-UHFFFAOYSA-N 1 2 339.403 0.649 20 30 ECEDLO O=S(=O)(CC[NH2+]CC#CCO)c1cccc(Br)c1 ZINC000577221056 438825990 /nfs/dbraw/zinc/82/59/90/438825990.db2.gz BFCAZCKTKZHFJI-UHFFFAOYSA-N 1 2 332.219 0.808 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CC2(C#N)CC2)CC1 ZINC000590139329 438902288 /nfs/dbraw/zinc/90/22/88/438902288.db2.gz MCKGNKDGRADQQC-UHFFFAOYSA-N 1 2 325.376 0.706 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000595866452 438872565 /nfs/dbraw/zinc/87/25/65/438872565.db2.gz GZWQOMMKSWIKDH-TVQRCGJNSA-N 1 2 327.331 0.988 20 30 ECEDLO N#Cc1ccncc1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000564601820 438875304 /nfs/dbraw/zinc/87/53/04/438875304.db2.gz NRXLDKWKWCHCCI-UHFFFAOYSA-N 1 2 326.360 0.734 20 30 ECEDLO Cc1ccccc1[C@H]1C(=O)NCCN1C[C@H](O)C[N@H+](C)CCC#N ZINC000596038523 438916613 /nfs/dbraw/zinc/91/66/13/438916613.db2.gz NRDKJCFSRFQLJG-WBVHZDCISA-N 1 2 330.432 0.674 20 30 ECEDLO Cc1ccccc1[C@H]1C(=O)NCCN1C[C@H](O)C[N@@H+](C)CCC#N ZINC000596038523 438916618 /nfs/dbraw/zinc/91/66/18/438916618.db2.gz NRDKJCFSRFQLJG-WBVHZDCISA-N 1 2 330.432 0.674 20 30 ECEDLO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1C[C@H](O)CN(C)CCC#N ZINC000596038523 438916623 /nfs/dbraw/zinc/91/66/23/438916623.db2.gz NRDKJCFSRFQLJG-WBVHZDCISA-N 1 2 330.432 0.674 20 30 ECEDLO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)CN(C)CCC#N ZINC000596038523 438916625 /nfs/dbraw/zinc/91/66/25/438916625.db2.gz NRDKJCFSRFQLJG-WBVHZDCISA-N 1 2 330.432 0.674 20 30 ECEDLO Cc1ccccc1[C@H]1C(=O)NCCN1C[C@@H](O)C[N@H+](C)CCC#N ZINC000596038521 438917345 /nfs/dbraw/zinc/91/73/45/438917345.db2.gz NRDKJCFSRFQLJG-RDJZCZTQSA-N 1 2 330.432 0.674 20 30 ECEDLO Cc1ccccc1[C@H]1C(=O)NCCN1C[C@@H](O)C[N@@H+](C)CCC#N ZINC000596038521 438917351 /nfs/dbraw/zinc/91/73/51/438917351.db2.gz NRDKJCFSRFQLJG-RDJZCZTQSA-N 1 2 330.432 0.674 20 30 ECEDLO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)CN(C)CCC#N ZINC000596038521 438917353 /nfs/dbraw/zinc/91/73/53/438917353.db2.gz NRDKJCFSRFQLJG-RDJZCZTQSA-N 1 2 330.432 0.674 20 30 ECEDLO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)CN(C)CCC#N ZINC000596038521 438917358 /nfs/dbraw/zinc/91/73/58/438917358.db2.gz NRDKJCFSRFQLJG-RDJZCZTQSA-N 1 2 330.432 0.674 20 30 ECEDLO Cc1ccccc1[C@@H]1C(=O)NCCN1C[C@H](O)C[N@H+](C)CCC#N ZINC000596038517 438917754 /nfs/dbraw/zinc/91/77/54/438917754.db2.gz NRDKJCFSRFQLJG-NVXWUHKLSA-N 1 2 330.432 0.674 20 30 ECEDLO Cc1ccccc1[C@@H]1C(=O)NCCN1C[C@H](O)C[N@@H+](C)CCC#N ZINC000596038517 438917759 /nfs/dbraw/zinc/91/77/59/438917759.db2.gz NRDKJCFSRFQLJG-NVXWUHKLSA-N 1 2 330.432 0.674 20 30 ECEDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)CN(C)CCC#N ZINC000596038517 438917763 /nfs/dbraw/zinc/91/77/63/438917763.db2.gz NRDKJCFSRFQLJG-NVXWUHKLSA-N 1 2 330.432 0.674 20 30 ECEDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)CN(C)CCC#N ZINC000596038517 438917767 /nfs/dbraw/zinc/91/77/67/438917767.db2.gz NRDKJCFSRFQLJG-NVXWUHKLSA-N 1 2 330.432 0.674 20 30 ECEDLO Cc1cc(N2CC[NH+](CC(=O)N(C)C)CC2)cc(C#N)c1[N+](=O)[O-] ZINC000596059280 438921049 /nfs/dbraw/zinc/92/10/49/438921049.db2.gz XKDUQSTYFLFBAD-UHFFFAOYSA-N 1 2 331.376 0.985 20 30 ECEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2cc(C#N)cnn2)CC1 ZINC000596071740 438923025 /nfs/dbraw/zinc/92/30/25/438923025.db2.gz VJHYEGIBRDOQMV-CQSZACIVSA-N 1 2 328.420 0.871 20 30 ECEDLO N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000565366861 438946244 /nfs/dbraw/zinc/94/62/44/438946244.db2.gz HURZIONQNIZCCG-OAHLLOKOSA-N 1 2 331.420 0.520 20 30 ECEDLO N#Cc1cc(CN2CCOCC2)cn(Cc2ccc[nH+]c2N)c1=O ZINC000596284332 438951369 /nfs/dbraw/zinc/95/13/69/438951369.db2.gz BVRVGHOBVYIZOX-UHFFFAOYSA-N 1 2 325.372 0.578 20 30 ECEDLO CC1(C)C[C@]1(C#N)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000565985809 438993287 /nfs/dbraw/zinc/99/32/87/438993287.db2.gz WZLWHXPROUIZRV-RDTXWAMCSA-N 1 2 348.447 0.508 20 30 ECEDLO C=CCCSCCNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000596717678 438993415 /nfs/dbraw/zinc/99/34/15/438993415.db2.gz PLNUIQQYEWGRMN-AWEZNQCLSA-N 1 2 331.482 0.630 20 30 ECEDLO COC(=O)c1cnc([C@@H](C)NC[C@H](O)C[N@H+](C)CCC#N)s1 ZINC000519540356 439039244 /nfs/dbraw/zinc/03/92/44/439039244.db2.gz PIYKZEGJLNICFD-MNOVXSKESA-N 1 2 326.422 0.787 20 30 ECEDLO COC(=O)c1cnc([C@@H](C)NC[C@H](O)C[N@@H+](C)CCC#N)s1 ZINC000519540356 439039249 /nfs/dbraw/zinc/03/92/49/439039249.db2.gz PIYKZEGJLNICFD-MNOVXSKESA-N 1 2 326.422 0.787 20 30 ECEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000592149138 439166683 /nfs/dbraw/zinc/16/66/83/439166683.db2.gz JIFQCLVSRRIRTN-INIZCTEOSA-N 1 2 346.343 0.414 20 30 ECEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000592149138 439166686 /nfs/dbraw/zinc/16/66/86/439166686.db2.gz JIFQCLVSRRIRTN-INIZCTEOSA-N 1 2 346.343 0.414 20 30 ECEDLO COCC[N@H+](CCC#N)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000602781485 439135025 /nfs/dbraw/zinc/13/50/25/439135025.db2.gz ZICSLNVIEOICJW-CYBMUJFWSA-N 1 2 331.372 0.506 20 30 ECEDLO COCC[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000602781485 439135030 /nfs/dbraw/zinc/13/50/30/439135030.db2.gz ZICSLNVIEOICJW-CYBMUJFWSA-N 1 2 331.372 0.506 20 30 ECEDLO COCCOCc1cc(C#N)ccc1N1CC[NH+](CC(N)=O)CC1 ZINC000603272223 439224884 /nfs/dbraw/zinc/22/48/84/439224884.db2.gz LZYHPSUAPDPNPN-UHFFFAOYSA-N 1 2 332.404 0.329 20 30 ECEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NC2CCN(CC#N)CC2)C1 ZINC000603281271 439225768 /nfs/dbraw/zinc/22/57/68/439225768.db2.gz ICGYPZJUMFFSSW-UHFFFAOYSA-N 1 2 348.472 0.941 20 30 ECEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NC2CCN(CC#N)CC2)C1 ZINC000603281271 439225772 /nfs/dbraw/zinc/22/57/72/439225772.db2.gz ICGYPZJUMFFSSW-UHFFFAOYSA-N 1 2 348.472 0.941 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000592202873 439179954 /nfs/dbraw/zinc/17/99/54/439179954.db2.gz PWKXNAJIRMMDMF-CABCVRRESA-N 1 2 331.372 0.030 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000592202873 439179959 /nfs/dbraw/zinc/17/99/59/439179959.db2.gz PWKXNAJIRMMDMF-CABCVRRESA-N 1 2 331.372 0.030 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000592201610 439181485 /nfs/dbraw/zinc/18/14/85/439181485.db2.gz XXQNJXDUYFXWDC-BMFZPTHFSA-N 1 2 343.383 0.519 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000592201610 439181488 /nfs/dbraw/zinc/18/14/88/439181488.db2.gz XXQNJXDUYFXWDC-BMFZPTHFSA-N 1 2 343.383 0.519 20 30 ECEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CNc1ccc(C#N)cn1)C(C)(C)CO ZINC000597847713 439192746 /nfs/dbraw/zinc/19/27/46/439192746.db2.gz RDOBRXFCCKVSJY-OAHLLOKOSA-N 1 2 342.403 0.975 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597865776 439195589 /nfs/dbraw/zinc/19/55/89/439195589.db2.gz WFNPJFAWVYPBBJ-LLVKDONJSA-N 1 2 347.400 0.607 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597865776 439195597 /nfs/dbraw/zinc/19/55/97/439195597.db2.gz WFNPJFAWVYPBBJ-LLVKDONJSA-N 1 2 347.400 0.607 20 30 ECEDLO C[N@H+](CCO)Cc1cn([C@H]2CCN(c3ccc(C#N)cc3)C2=O)nn1 ZINC000603191901 439208096 /nfs/dbraw/zinc/20/80/96/439208096.db2.gz KWQGTDFWXITHQF-INIZCTEOSA-N 1 2 340.387 0.552 20 30 ECEDLO C[N@@H+](CCO)Cc1cn([C@H]2CCN(c3ccc(C#N)cc3)C2=O)nn1 ZINC000603191901 439208102 /nfs/dbraw/zinc/20/81/02/439208102.db2.gz KWQGTDFWXITHQF-INIZCTEOSA-N 1 2 340.387 0.552 20 30 ECEDLO C[C@H](C#N)N(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000598129024 439230703 /nfs/dbraw/zinc/23/07/03/439230703.db2.gz FCWSTIBGUMBZJQ-KGLIPLIRSA-N 1 2 334.420 0.070 20 30 ECEDLO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)CC(C)(C)C#N)[C@H](C(=O)OC)C1 ZINC000598602340 439283975 /nfs/dbraw/zinc/28/39/75/439283975.db2.gz IYGUMVDSWFBATC-AGIUHOORSA-N 1 2 326.393 0.714 20 30 ECEDLO COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@H](C(=O)OC)C1 ZINC000598602340 439283981 /nfs/dbraw/zinc/28/39/81/439283981.db2.gz IYGUMVDSWFBATC-AGIUHOORSA-N 1 2 326.393 0.714 20 30 ECEDLO N#Cc1ccc2[nH+]cc(CN3CCO[C@@]4(CCS(=O)(=O)C4)C3)n2c1 ZINC000592524909 439243208 /nfs/dbraw/zinc/24/32/08/439243208.db2.gz IIXALICMLWWITI-INIZCTEOSA-N 1 2 346.412 0.595 20 30 ECEDLO C#CCN1CCN(C(=O)C[NH2+][C@@H](CO)c2c(F)cccc2F)CC1 ZINC000490936627 439316101 /nfs/dbraw/zinc/31/61/01/439316101.db2.gz REALQWXFCPWVLH-HNNXBMFYSA-N 1 2 337.370 0.365 20 30 ECEDLO C[C@@H](O)C[C@H]1COCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528450093 439335518 /nfs/dbraw/zinc/33/55/18/439335518.db2.gz KKJWBJFFRPTASK-CABCVRRESA-N 1 2 342.395 0.758 20 30 ECEDLO C[C@@H](O)C[C@H]1COCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528450093 439335521 /nfs/dbraw/zinc/33/55/21/439335521.db2.gz KKJWBJFFRPTASK-CABCVRRESA-N 1 2 342.395 0.758 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)OC)CC1 ZINC000490715628 439288739 /nfs/dbraw/zinc/28/87/39/439288739.db2.gz YDFNBVNQCLSSEM-YQQAZPJKSA-N 1 2 333.432 0.037 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)OC)CC1 ZINC000490715628 439288745 /nfs/dbraw/zinc/28/87/45/439288745.db2.gz YDFNBVNQCLSSEM-YQQAZPJKSA-N 1 2 333.432 0.037 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2nc([C@H](C)OCC)no2)CC1 ZINC000490712797 439289497 /nfs/dbraw/zinc/28/94/97/439289497.db2.gz GWJJCFWHZDOCBQ-KGLIPLIRSA-N 1 2 349.435 0.423 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CSCCCNc2ncccn2)CC1 ZINC000490762192 439295024 /nfs/dbraw/zinc/29/50/24/439295024.db2.gz GJENCGFRMWYQSQ-UHFFFAOYSA-N 1 2 333.461 0.789 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC000490780408 439297911 /nfs/dbraw/zinc/29/79/11/439297911.db2.gz KYXHWLZOGFPOBI-AWEZNQCLSA-N 1 2 347.381 0.807 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC000490780408 439297917 /nfs/dbraw/zinc/29/79/17/439297917.db2.gz KYXHWLZOGFPOBI-AWEZNQCLSA-N 1 2 347.381 0.807 20 30 ECEDLO C#CCNS(=O)(=O)c1cccc(C(=O)OCCn2cc[nH+]c2)c1 ZINC000490894061 439307738 /nfs/dbraw/zinc/30/77/38/439307738.db2.gz ZGGFNPZWYJZYQO-UHFFFAOYSA-N 1 2 333.369 0.652 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](CC(=O)NCC(=O)c2cccs2)CC1 ZINC000491154871 439338622 /nfs/dbraw/zinc/33/86/22/439338622.db2.gz MRMBWPZBMZOPTD-UHFFFAOYSA-N 1 2 347.440 0.508 20 30 ECEDLO N#Cc1ccc(CC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cn1 ZINC000528500266 439344362 /nfs/dbraw/zinc/34/43/62/439344362.db2.gz GLGAALNILASHQP-UHFFFAOYSA-N 1 2 340.387 0.663 20 30 ECEDLO C[C@@H](O)[C@@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000528517587 439345299 /nfs/dbraw/zinc/34/52/99/439345299.db2.gz AUSACXBKVPHSJL-CJNGLKHVSA-N 1 2 328.368 0.368 20 30 ECEDLO C[C@@H](O)[C@@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000528517587 439345303 /nfs/dbraw/zinc/34/53/03/439345303.db2.gz AUSACXBKVPHSJL-CJNGLKHVSA-N 1 2 328.368 0.368 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2ccc(C(F)(F)F)cc2=O)CC1 ZINC000491192952 439345842 /nfs/dbraw/zinc/34/58/42/439345842.db2.gz UHHSPSHYGXIKPN-UHFFFAOYSA-N 1 2 327.306 0.645 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CC(=O)N2CCCC[C@H]2CC)CC1 ZINC000491210168 439349923 /nfs/dbraw/zinc/34/99/23/439349923.db2.gz QUWFMPQXSIFBMM-MRXNPFEDSA-N 1 2 334.464 0.145 20 30 ECEDLO C#CCN(C(=O)Nc1ccn2cc[nH+]c2c1)[C@H]1CCS(=O)(=O)C1 ZINC000491351163 439369076 /nfs/dbraw/zinc/36/90/76/439369076.db2.gz SEBRGYJQRGIPPV-ZDUSSCGKSA-N 1 2 332.385 0.989 20 30 ECEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000599193544 439378401 /nfs/dbraw/zinc/37/84/01/439378401.db2.gz CMLIQRZEOTWLBQ-OAHLLOKOSA-N 1 2 344.419 0.115 20 30 ECEDLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000599193544 439378405 /nfs/dbraw/zinc/37/84/05/439378405.db2.gz CMLIQRZEOTWLBQ-OAHLLOKOSA-N 1 2 344.419 0.115 20 30 ECEDLO COCCOCC[NH+]1CCN(C(=O)NCC(C)(C)CC#N)CC1 ZINC000593413335 439379095 /nfs/dbraw/zinc/37/90/95/439379095.db2.gz QZRFDLVNVXBCTK-UHFFFAOYSA-N 1 2 326.441 0.916 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(c2ncnc3c2CCCCC3)CC1 ZINC000491408016 439379485 /nfs/dbraw/zinc/37/94/85/439379485.db2.gz SYGSABLUNOVCIS-UHFFFAOYSA-N 1 2 327.432 0.617 20 30 ECEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000599193543 439377370 /nfs/dbraw/zinc/37/73/70/439377370.db2.gz CMLIQRZEOTWLBQ-HNNXBMFYSA-N 1 2 344.419 0.115 20 30 ECEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000599193543 439377374 /nfs/dbraw/zinc/37/73/74/439377374.db2.gz CMLIQRZEOTWLBQ-HNNXBMFYSA-N 1 2 344.419 0.115 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnn(C)c2SC)CC1 ZINC000491502972 439394141 /nfs/dbraw/zinc/39/41/41/439394141.db2.gz APXORQSEUWSNMA-UHFFFAOYSA-N 1 2 349.460 0.039 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnn(C)c2SC)CC1 ZINC000491502972 439394146 /nfs/dbraw/zinc/39/41/46/439394146.db2.gz APXORQSEUWSNMA-UHFFFAOYSA-N 1 2 349.460 0.039 20 30 ECEDLO COC(=O)c1ccc(N2CC[NH+](C(C)(C)C(N)=O)CC2)c(C#N)n1 ZINC000583035755 439413536 /nfs/dbraw/zinc/41/35/36/439413536.db2.gz WQBYRKVSDPOGDG-UHFFFAOYSA-N 1 2 331.376 0.126 20 30 ECEDLO C#C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)(C)C ZINC000491630033 439415195 /nfs/dbraw/zinc/41/51/95/439415195.db2.gz WTNUBHALKMMMII-HUUCEWRRSA-N 1 2 335.448 0.331 20 30 ECEDLO CNc1cc2c(nn1)CC[N@H+](C[C@@H](O)COc1ccccc1C#N)C2 ZINC000599286448 439416151 /nfs/dbraw/zinc/41/61/51/439416151.db2.gz CYUMDQWWUVLFPN-OAHLLOKOSA-N 1 2 339.399 1.188 20 30 ECEDLO CNc1cc2c(nn1)CC[N@@H+](C[C@@H](O)COc1ccccc1C#N)C2 ZINC000599286448 439416156 /nfs/dbraw/zinc/41/61/56/439416156.db2.gz CYUMDQWWUVLFPN-OAHLLOKOSA-N 1 2 339.399 1.188 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCOC2)CC1 ZINC000491673269 439424037 /nfs/dbraw/zinc/42/40/37/439424037.db2.gz IHGVPGIJSIJTQW-JKSUJKDBSA-N 1 2 345.447 0.574 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@H](C)c2cc(C)c(C(=O)OC)o2)CC1 ZINC000491666392 439425127 /nfs/dbraw/zinc/42/51/27/439425127.db2.gz HDVCNQVDWUSKTR-CQSZACIVSA-N 1 2 347.415 0.803 20 30 ECEDLO COC(=O)C[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)CCO1 ZINC000599306050 439426056 /nfs/dbraw/zinc/42/60/56/439426056.db2.gz CZWRWSSPRBEFJO-UONOGXRCSA-N 1 2 326.393 0.322 20 30 ECEDLO COC(=O)C[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)CCO1 ZINC000599306050 439426061 /nfs/dbraw/zinc/42/60/61/439426061.db2.gz CZWRWSSPRBEFJO-UONOGXRCSA-N 1 2 326.393 0.322 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2c(=O)sc3c2cccc3F)CC1 ZINC000491698908 439430832 /nfs/dbraw/zinc/43/08/32/439430832.db2.gz RFJMUJGOCKKRBJ-UHFFFAOYSA-N 1 2 333.388 0.980 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCC2CCOCC2)CC1 ZINC000491715697 439432022 /nfs/dbraw/zinc/43/20/22/439432022.db2.gz LDBPFTNCLAUAGJ-UHFFFAOYSA-N 1 2 335.448 0.477 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCC2CCOCC2)CC1 ZINC000491715697 439432029 /nfs/dbraw/zinc/43/20/29/439432029.db2.gz LDBPFTNCLAUAGJ-UHFFFAOYSA-N 1 2 335.448 0.477 20 30 ECEDLO C#CC[NH+]1CCC(c2nc(CS(=O)(=O)CCCOC)no2)CC1 ZINC000491716672 439434810 /nfs/dbraw/zinc/43/48/10/439434810.db2.gz OAPOPTOXUMKXPM-UHFFFAOYSA-N 1 2 341.433 0.834 20 30 ECEDLO CCOC[C@@H](C(=O)OC)[N@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599334922 439436191 /nfs/dbraw/zinc/43/61/91/439436191.db2.gz KQEFMINZEZTYTR-KBPBESRZSA-N 1 2 328.409 0.568 20 30 ECEDLO CCOC[C@@H](C(=O)OC)[N@@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599334922 439436197 /nfs/dbraw/zinc/43/61/97/439436197.db2.gz KQEFMINZEZTYTR-KBPBESRZSA-N 1 2 328.409 0.568 20 30 ECEDLO Cc1cc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)ncc1C#N ZINC000529749265 439450384 /nfs/dbraw/zinc/45/03/84/439450384.db2.gz AXCJATFOPHGXMS-SFHVURJKSA-N 1 2 344.415 0.607 20 30 ECEDLO Cc1cc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)ncc1C#N ZINC000529749265 439450386 /nfs/dbraw/zinc/45/03/86/439450386.db2.gz AXCJATFOPHGXMS-SFHVURJKSA-N 1 2 344.415 0.607 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000599500312 439493177 /nfs/dbraw/zinc/49/31/77/439493177.db2.gz RZIMDQWJVNQOJY-ZDUSSCGKSA-N 1 2 330.454 0.119 20 30 ECEDLO C#CC[N@H+](C)CCCNC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000491821764 439458528 /nfs/dbraw/zinc/45/85/28/439458528.db2.gz YLCWJJZCWAXHAQ-UHFFFAOYSA-N 1 2 329.360 0.429 20 30 ECEDLO C#CC[N@@H+](C)CCCNC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000491821764 439458535 /nfs/dbraw/zinc/45/85/35/439458535.db2.gz YLCWJJZCWAXHAQ-UHFFFAOYSA-N 1 2 329.360 0.429 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(C(=O)OC)c(C)n2)CC1 ZINC000536597623 439537364 /nfs/dbraw/zinc/53/73/64/439537364.db2.gz JUHVHIXNKDCSEK-UHFFFAOYSA-N 1 2 332.404 0.601 20 30 ECEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000594322214 439542485 /nfs/dbraw/zinc/54/24/85/439542485.db2.gz XBRAUCAAQFSJHQ-MRXNPFEDSA-N 1 2 345.443 0.890 20 30 ECEDLO CN(Cc1[nH+]ccn1C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000608801512 439546233 /nfs/dbraw/zinc/54/62/33/439546233.db2.gz SEHYOYQOGJOWCS-UHFFFAOYSA-N 1 2 347.400 0.229 20 30 ECEDLO C=CCNS(=O)(=O)c1ccc(C(=O)NCCc2c[nH+]cn2C)cc1 ZINC000541552658 439553185 /nfs/dbraw/zinc/55/31/85/439553185.db2.gz ZQDJEVWLIFPBJO-UHFFFAOYSA-N 1 2 348.428 0.857 20 30 ECEDLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000572056013 439554768 /nfs/dbraw/zinc/55/47/68/439554768.db2.gz RFVKFQUPHVOAOK-OAHLLOKOSA-N 1 2 343.431 0.318 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)NC[C@@H](C)C#N)CC1 ZINC000542877661 439560220 /nfs/dbraw/zinc/56/02/20/439560220.db2.gz PJDFZEAKXMGLHG-UONOGXRCSA-N 1 2 339.440 0.014 20 30 ECEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1 ZINC000609486068 439571824 /nfs/dbraw/zinc/57/18/24/439571824.db2.gz CJHPHWGPQWMBQF-GDBMZVCRSA-N 1 2 349.479 0.278 20 30 ECEDLO COC(=O)[C@@H]([NH3+])Cc1cn(-c2cc(C(F)(F)F)cnc2C#N)nn1 ZINC000594650964 439587547 /nfs/dbraw/zinc/58/75/47/439587547.db2.gz WQFLNNVFMMBAFR-VIFPVBQESA-N 1 2 340.265 0.596 20 30 ECEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(CC(=O)N(C)C)CC1 ZINC000610132264 439601794 /nfs/dbraw/zinc/60/17/94/439601794.db2.gz KFVWPPZSNZSXTC-UHFFFAOYSA-N 1 2 346.431 0.651 20 30 ECEDLO COc1cc(C#N)ccc1OCCN1CC[NH+](CC(=O)N(C)C)CC1 ZINC000610132264 439601798 /nfs/dbraw/zinc/60/17/98/439601798.db2.gz KFVWPPZSNZSXTC-UHFFFAOYSA-N 1 2 346.431 0.651 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCN1CCCS1(=O)=O ZINC000610615282 439630586 /nfs/dbraw/zinc/63/05/86/439630586.db2.gz ZELYYQHAQXWITQ-HIFRSBDPSA-N 1 2 344.481 0.397 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CCN1CCCS1(=O)=O ZINC000610615282 439630590 /nfs/dbraw/zinc/63/05/90/439630590.db2.gz ZELYYQHAQXWITQ-HIFRSBDPSA-N 1 2 344.481 0.397 20 30 ECEDLO CC[C@H](CC#N)[NH2+]CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000573134963 439631048 /nfs/dbraw/zinc/63/10/48/439631048.db2.gz YXMMXKDSEKAGRJ-LLVKDONJSA-N 1 2 335.408 0.250 20 30 ECEDLO CCc1nnc(N2CC[NH+](CC(=O)N(C)C)CC2)c(C#N)c1CC ZINC000610714832 439641486 /nfs/dbraw/zinc/64/14/86/439641486.db2.gz JWBONWZHSCENLB-UHFFFAOYSA-N 1 2 330.436 0.683 20 30 ECEDLO Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3COCC[N@H+]3C)CC2)o1 ZINC000600419451 439654081 /nfs/dbraw/zinc/65/40/81/439654081.db2.gz HOVXYSYZEINWOL-CQSZACIVSA-N 1 2 347.419 0.518 20 30 ECEDLO Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3COCC[N@@H+]3C)CC2)o1 ZINC000600419451 439654084 /nfs/dbraw/zinc/65/40/84/439654084.db2.gz HOVXYSYZEINWOL-CQSZACIVSA-N 1 2 347.419 0.518 20 30 ECEDLO Cc1c(C#N)cccc1NC(=O)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000610903897 439655670 /nfs/dbraw/zinc/65/56/70/439655670.db2.gz BSQWTOHGQYYWTA-GFCCVEGCSA-N 1 2 330.388 0.642 20 30 ECEDLO Cc1c(C#N)cccc1NC(=O)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000610903897 439655673 /nfs/dbraw/zinc/65/56/73/439655673.db2.gz BSQWTOHGQYYWTA-GFCCVEGCSA-N 1 2 330.388 0.642 20 30 ECEDLO C[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2sccc2C#N)[C@@H](C)CO1 ZINC000595126603 439658289 /nfs/dbraw/zinc/65/82/89/439658289.db2.gz QQZMVGXTERWYQO-QWRGUYRKSA-N 1 2 336.417 0.784 20 30 ECEDLO C[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2sccc2C#N)[C@@H](C)CO1 ZINC000595126603 439658293 /nfs/dbraw/zinc/65/82/93/439658293.db2.gz QQZMVGXTERWYQO-QWRGUYRKSA-N 1 2 336.417 0.784 20 30 ECEDLO C[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)[C@@H](C)CO1 ZINC000595126796 439659073 /nfs/dbraw/zinc/65/90/73/439659073.db2.gz VFISRPHFLQYUGA-RYUDHWBXSA-N 1 2 348.378 0.861 20 30 ECEDLO C[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)[C@@H](C)CO1 ZINC000595126796 439659077 /nfs/dbraw/zinc/65/90/77/439659077.db2.gz VFISRPHFLQYUGA-RYUDHWBXSA-N 1 2 348.378 0.861 20 30 ECEDLO C=CCSCCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000586812316 439661922 /nfs/dbraw/zinc/66/19/22/439661922.db2.gz JWYKBWDJFVTSLE-AWEZNQCLSA-N 1 2 341.477 0.345 20 30 ECEDLO N#Cc1ccc(CNC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)c(F)c1 ZINC000586861979 439664654 /nfs/dbraw/zinc/66/46/54/439664654.db2.gz FUDQRPIITLEURC-ZDUSSCGKSA-N 1 2 341.346 0.641 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC(=O)NCc1ccccc1 ZINC000574438572 439705349 /nfs/dbraw/zinc/70/53/49/439705349.db2.gz JOPNYVIZWLYEEV-CYBMUJFWSA-N 1 2 332.404 0.635 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000574438572 439705351 /nfs/dbraw/zinc/70/53/51/439705351.db2.gz JOPNYVIZWLYEEV-CYBMUJFWSA-N 1 2 332.404 0.635 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3CS(=O)(=O)C3)CC2)cc1 ZINC000600977534 439720562 /nfs/dbraw/zinc/72/05/62/439720562.db2.gz ILPNABSXULDRAR-UHFFFAOYSA-N 1 2 347.440 0.637 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3CS(=O)(=O)C3)CC2)cc1 ZINC000600977534 439720565 /nfs/dbraw/zinc/72/05/65/439720565.db2.gz ILPNABSXULDRAR-UHFFFAOYSA-N 1 2 347.440 0.637 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)[nH]1 ZINC000600682019 439689281 /nfs/dbraw/zinc/68/92/81/439689281.db2.gz LJXNOYQYJBCVBD-OAHLLOKOSA-N 1 2 325.372 0.912 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)[nH]1 ZINC000600682019 439689282 /nfs/dbraw/zinc/68/92/82/439689282.db2.gz LJXNOYQYJBCVBD-OAHLLOKOSA-N 1 2 325.372 0.912 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(COC)n2CC2CC2)CC1 ZINC000612831386 439742975 /nfs/dbraw/zinc/74/29/75/439742975.db2.gz BALOSLFGUOXIQE-UHFFFAOYSA-N 1 2 348.451 0.259 20 30 ECEDLO C=CCNS(=O)(=O)c1ccccc1NC[C@@H]1COCC[N@H+]1C ZINC000641678388 439898565 /nfs/dbraw/zinc/89/85/65/439898565.db2.gz OMYAIQRJSMGJCL-CYBMUJFWSA-N 1 2 325.434 0.893 20 30 ECEDLO C=CCNS(=O)(=O)c1ccccc1NC[C@@H]1COCC[N@@H+]1C ZINC000641678388 439898574 /nfs/dbraw/zinc/89/85/74/439898574.db2.gz OMYAIQRJSMGJCL-CYBMUJFWSA-N 1 2 325.434 0.893 20 30 ECEDLO C=CC[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000617786228 439973106 /nfs/dbraw/zinc/97/31/06/439973106.db2.gz VYGYDDVTGAINKE-SJORKVTESA-N 1 2 349.475 0.982 20 30 ECEDLO Cc1cc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc[nH+]1 ZINC000618364765 440112324 /nfs/dbraw/zinc/11/23/24/440112324.db2.gz CJIMRVYYRZZCOM-UHFFFAOYSA-N 1 2 330.369 0.601 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]([N@H+](C)Cc3ncccn3)C2)nn1 ZINC000648869899 440349172 /nfs/dbraw/zinc/34/91/72/440349172.db2.gz JVLGGMBGAYRXCI-ZDUSSCGKSA-N 1 2 327.392 0.601 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ncccn3)C2)nn1 ZINC000648869899 440349177 /nfs/dbraw/zinc/34/91/77/440349177.db2.gz JVLGGMBGAYRXCI-ZDUSSCGKSA-N 1 2 327.392 0.601 20 30 ECEDLO C=CCN1C(=O)C(=O)N(Cc2nc(Cc3c[nH+]ccc3C)no2)C1=O ZINC000664982480 440397508 /nfs/dbraw/zinc/39/75/08/440397508.db2.gz VVHOROXZIMBPQJ-UHFFFAOYSA-N 1 2 341.327 0.841 20 30 ECEDLO C=CC(C)(C)CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000628317078 440454272 /nfs/dbraw/zinc/45/42/72/440454272.db2.gz VJZYEUQULUYHQA-HNNXBMFYSA-N 1 2 337.464 0.886 20 30 ECEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(N3CN=NC3=O)CC2)cc1 ZINC000564736456 322390999 /nfs/dbraw/zinc/39/09/99/322390999.db2.gz OYNBTEYVVAOQRP-AWEZNQCLSA-N 1 2 326.360 0.719 20 30 ECEDLO CC(C)(NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000568068943 322612571 /nfs/dbraw/zinc/61/25/71/322612571.db2.gz XAEQEEYTKYDPAI-UHFFFAOYSA-N 1 2 347.400 0.611 20 30 ECEDLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1cccnc1C#N ZINC000575045948 322789768 /nfs/dbraw/zinc/78/97/68/322789768.db2.gz ZCIGKUBZTZXHDB-GFCCVEGCSA-N 1 2 332.389 0.022 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000371850811 517305502 /nfs/dbraw/zinc/30/55/02/517305502.db2.gz YTMRCRXBUGTJDI-HNNXBMFYSA-N 1 2 343.427 0.981 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000371850811 517305520 /nfs/dbraw/zinc/30/55/20/517305520.db2.gz YTMRCRXBUGTJDI-HNNXBMFYSA-N 1 2 343.427 0.981 20 30 ECEDLO CCOC(=O)CN(C)C(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000264676949 535665854 /nfs/dbraw/zinc/66/58/54/535665854.db2.gz AURPZAYRZBIKSK-UHFFFAOYSA-N 1 2 345.403 0.097 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC(c2nncn2C)CC1 ZINC000328656886 546003388 /nfs/dbraw/zinc/00/33/88/546003388.db2.gz OHBWNLKHRBXYJA-CYBMUJFWSA-N 1 2 336.440 0.629 20 30 ECEDLO CCC(=O)N1CSC[C@@H]1C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000328920124 546009964 /nfs/dbraw/zinc/00/99/64/546009964.db2.gz STIRVRXCUPPCEC-CYBMUJFWSA-N 1 2 342.465 0.419 20 30 ECEDLO CN1CC[N@H+](C)[C@H](CNC(=O)Nc2cccc(N3CCNC3=O)c2)C1 ZINC000329205780 546016668 /nfs/dbraw/zinc/01/66/68/546016668.db2.gz DNTSGTYIHCGASF-OAHLLOKOSA-N 1 2 346.435 0.992 20 30 ECEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)Nc2cccc(N3CCNC3=O)c2)C1 ZINC000329205780 546016672 /nfs/dbraw/zinc/01/66/72/546016672.db2.gz DNTSGTYIHCGASF-OAHLLOKOSA-N 1 2 346.435 0.992 20 30 ECEDLO CC(C)N1CC[C@@H](NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)C1=O ZINC000329293004 546019705 /nfs/dbraw/zinc/01/97/05/546019705.db2.gz JDZZNWQBYBUKTO-OAHLLOKOSA-N 1 2 348.451 0.461 20 30 ECEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)NCc2c[nH+]cn2C)C1 ZINC000329650147 546030974 /nfs/dbraw/zinc/03/09/74/546030974.db2.gz JVBNUIDCSJACSL-KBPBESRZSA-N 1 2 335.408 0.546 20 30 ECEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@@H]1CCCNC1=O ZINC000330030646 546036787 /nfs/dbraw/zinc/03/67/87/546036787.db2.gz RYTGWDDYIKYOPK-CYBMUJFWSA-N 1 2 336.396 0.469 20 30 ECEDLO C[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000330110855 546039012 /nfs/dbraw/zinc/03/90/12/546039012.db2.gz QURTWPQEVOSURB-KKUMJFAQSA-N 1 2 339.436 0.691 20 30 ECEDLO CN1CCO[C@@H]2C[N@H+](CC(=O)N(CCC#N)c3ccccc3)C[C@H]21 ZINC000330281293 546042841 /nfs/dbraw/zinc/04/28/41/546042841.db2.gz UKGOSGVCMPIPOP-IAGOWNOFSA-N 1 2 328.416 0.948 20 30 ECEDLO CN1CCO[C@@H]2C[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C[C@H]21 ZINC000330281293 546042845 /nfs/dbraw/zinc/04/28/45/546042845.db2.gz UKGOSGVCMPIPOP-IAGOWNOFSA-N 1 2 328.416 0.948 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(CC(=O)N(CCC#N)c3ccccc3)C[C@H]21 ZINC000330281293 546042850 /nfs/dbraw/zinc/04/28/50/546042850.db2.gz UKGOSGVCMPIPOP-IAGOWNOFSA-N 1 2 328.416 0.948 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(CC(=O)N(CCC#N)c3ccccc3)C[C@H]21 ZINC000330281293 546042851 /nfs/dbraw/zinc/04/28/51/546042851.db2.gz UKGOSGVCMPIPOP-IAGOWNOFSA-N 1 2 328.416 0.948 20 30 ECEDLO C=CC[N@@H+](C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000440290413 546229180 /nfs/dbraw/zinc/22/91/80/546229180.db2.gz BQWVXCGQPFJHEI-CAOSSQGBSA-N 1 2 346.493 0.132 20 30 ECEDLO C=CC[N@H+](C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000440290413 546229183 /nfs/dbraw/zinc/22/91/83/546229183.db2.gz BQWVXCGQPFJHEI-CAOSSQGBSA-N 1 2 346.493 0.132 20 30 ECEDLO CNC(=O)NC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000619647450 546354566 /nfs/dbraw/zinc/35/45/66/546354566.db2.gz PXCLGTBZGOAVKX-IUODEOHRSA-N 1 2 347.394 0.852 20 30 ECEDLO C=CCCCS(=O)(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000625376589 547082521 /nfs/dbraw/zinc/08/25/21/547082521.db2.gz RAGWFCZWNFMUDX-HNNXBMFYSA-N 1 2 332.466 0.488 20 30 ECEDLO C=CCCCS(=O)(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000625376589 547082524 /nfs/dbraw/zinc/08/25/24/547082524.db2.gz RAGWFCZWNFMUDX-HNNXBMFYSA-N 1 2 332.466 0.488 20 30 ECEDLO C=CC(C)(C)CCNC(=O)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000625569754 547152367 /nfs/dbraw/zinc/15/23/67/547152367.db2.gz FQHUBLHGWXPCKK-CQSZACIVSA-N 1 2 325.453 0.884 20 30 ECEDLO C#CCOc1cccc(NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000751546774 579371034 /nfs/dbraw/zinc/37/10/34/579371034.db2.gz GQHYBPFHPZLENG-MRXNPFEDSA-N 1 2 347.415 0.855 20 30 ECEDLO C#CCOc1cccc(NC(=O)N(CCO)CC[NH+]2CCOCC2)c1 ZINC000755022750 579427917 /nfs/dbraw/zinc/42/79/17/579427917.db2.gz XNRLDHDDYJOMFS-UHFFFAOYSA-N 1 2 347.415 0.857 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)cn1 ZINC000755593051 579435805 /nfs/dbraw/zinc/43/58/05/579435805.db2.gz HKBNNFXIEXOEOF-OAHLLOKOSA-N 1 2 340.427 0.832 20 30 ECEDLO CN(C(=O)CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000725793053 578133753 /nfs/dbraw/zinc/13/37/53/578133753.db2.gz UMCCKCRNKKNNRH-UHFFFAOYSA-N 1 2 346.431 0.777 20 30 ECEDLO C[C@H]1C[N@H+](CCNC(=O)NCCNc2ccc(C#N)cn2)CCO1 ZINC000726262150 578140984 /nfs/dbraw/zinc/14/09/84/578140984.db2.gz ZDJNPXDSHPFAMN-ZDUSSCGKSA-N 1 2 332.408 0.385 20 30 ECEDLO C[C@H]1C[N@@H+](CCNC(=O)NCCNc2ccc(C#N)cn2)CCO1 ZINC000726262150 578140985 /nfs/dbraw/zinc/14/09/85/578140985.db2.gz ZDJNPXDSHPFAMN-ZDUSSCGKSA-N 1 2 332.408 0.385 20 30 ECEDLO CN1C(=O)C(=O)N(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C1=O ZINC000728903341 578291765 /nfs/dbraw/zinc/29/17/65/578291765.db2.gz LHZIFOXQHLQQKV-UHFFFAOYSA-N 1 2 342.355 0.780 20 30 ECEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NCc2ccc(OCC#N)cc2)C1 ZINC000732247748 578321720 /nfs/dbraw/zinc/32/17/20/578321720.db2.gz QOGBKZPFJJEKRR-OAHLLOKOSA-N 1 2 331.420 0.634 20 30 ECEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCc2ccc(OCC#N)cc2)C1 ZINC000732247748 578321721 /nfs/dbraw/zinc/32/17/21/578321721.db2.gz QOGBKZPFJJEKRR-OAHLLOKOSA-N 1 2 331.420 0.634 20 30 ECEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732811315 578329985 /nfs/dbraw/zinc/32/99/85/578329985.db2.gz SLOCFNJMAMTYHH-FZMZJTMJSA-N 1 2 346.353 0.890 20 30 ECEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732811315 578329986 /nfs/dbraw/zinc/32/99/86/578329986.db2.gz SLOCFNJMAMTYHH-FZMZJTMJSA-N 1 2 346.353 0.890 20 30 ECEDLO COCC(C)N=Nc1ncccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000734749857 578368123 /nfs/dbraw/zinc/36/81/23/578368123.db2.gz DXKYCNKQSLPJKZ-UHFFFAOYSA-N 1 2 341.437 0.452 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000798158486 578640010 /nfs/dbraw/zinc/64/00/10/578640010.db2.gz LJZDEFDAILVIFX-UHFFFAOYSA-N 1 2 340.427 0.833 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000798158486 578640011 /nfs/dbraw/zinc/64/00/11/578640011.db2.gz LJZDEFDAILVIFX-UHFFFAOYSA-N 1 2 340.427 0.833 20 30 ECEDLO C[S@@](=O)CC[NH+]1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000780949658 578703615 /nfs/dbraw/zinc/70/36/15/578703615.db2.gz LZXXNKQGJWXIPI-IQMFZBJNSA-N 1 2 335.429 0.114 20 30 ECEDLO COCCN(CCC#N)C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000784450105 578752243 /nfs/dbraw/zinc/75/22/43/578752243.db2.gz QADNGPWHWXLXFV-UHFFFAOYSA-N 1 2 342.359 0.594 20 30 ECEDLO C=CCOc1cc(OC)ccc1C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000767961046 579119411 /nfs/dbraw/zinc/11/94/11/579119411.db2.gz WSKJMTGLTMNJKP-UHFFFAOYSA-N 1 2 347.415 0.893 20 30 ECEDLO C=CCOc1cc(OC)ccc1C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000767961046 579119412 /nfs/dbraw/zinc/11/94/12/579119412.db2.gz WSKJMTGLTMNJKP-UHFFFAOYSA-N 1 2 347.415 0.893 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cc2cc[nH]c(=O)c2Br)CC1 ZINC000772280486 579202435 /nfs/dbraw/zinc/20/24/35/579202435.db2.gz ZRPHXXCKVIXBPF-UHFFFAOYSA-N 1 2 338.205 0.870 20 30 ECEDLO CC(=O)N[C@H]1CCCN(C(=O)CO[NH+]=C(N)c2ccc(F)cc2)C1 ZINC000762664897 579545639 /nfs/dbraw/zinc/54/56/39/579545639.db2.gz NVJINMYNBGPPEK-AWEZNQCLSA-N 1 2 336.367 0.590 20 30 ECEDLO CON=Cc1ccc(C(=O)N2CC[NH+](CC[S@@](C)=O)CC2)cc1 ZINC000742183118 579781388 /nfs/dbraw/zinc/78/13/88/579781388.db2.gz PAQBUBDMEFIGJY-HSZRJFAPSA-N 1 2 337.445 0.803 20 30 ECEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000747113090 579849516 /nfs/dbraw/zinc/84/95/16/579849516.db2.gz VFQLTXNKZBQRHK-AWEZNQCLSA-N 1 2 339.399 0.980 20 30 ECEDLO CC1(C)CN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC[N@@H+]1CCO ZINC000867152310 588920922 /nfs/dbraw/zinc/92/09/22/588920922.db2.gz BHSOCHMXCWDMKM-UHFFFAOYSA-N 1 2 341.408 0.775 20 30 ECEDLO CC1(C)CN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC[N@H+]1CCO ZINC000867152310 588920923 /nfs/dbraw/zinc/92/09/23/588920923.db2.gz BHSOCHMXCWDMKM-UHFFFAOYSA-N 1 2 341.408 0.775 20 30 ECEDLO C#C[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000890647288 586056764 /nfs/dbraw/zinc/05/67/64/586056764.db2.gz CXIGTDOWOYKCPP-CVEARBPZSA-N 1 2 333.432 0.181 20 30 ECEDLO COC(=O)COc1ccc(C[NH+]2CCN(C(=O)CC#N)CC2)cc1 ZINC000895066441 586159765 /nfs/dbraw/zinc/15/97/65/586159765.db2.gz RZFRIMIWDFURGZ-UHFFFAOYSA-N 1 2 331.372 0.796 20 30 ECEDLO N#CCC(=O)N1CC[NH+](Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000895067967 586159775 /nfs/dbraw/zinc/15/97/75/586159775.db2.gz BXHYXJPEIJQPBS-UHFFFAOYSA-N 1 2 328.351 0.964 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCOCC3)CC2)c(CO)c1 ZINC000891562281 586178061 /nfs/dbraw/zinc/17/80/61/586178061.db2.gz SVBGKQCSIYXVAO-UHFFFAOYSA-N 1 2 344.415 0.031 20 30 ECEDLO C#CC1(O)CC[NH+](Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000895385992 586180198 /nfs/dbraw/zinc/18/01/98/586180198.db2.gz RNFCKLWQBDTYFH-UHFFFAOYSA-N 1 2 328.821 0.948 20 30 ECEDLO C#CC1(O)CC[NH+](Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000895384414 586180282 /nfs/dbraw/zinc/18/02/82/586180282.db2.gz NIQCJRGAUWIQEO-UHFFFAOYSA-N 1 2 328.821 0.948 20 30 ECEDLO C#CCOc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](CC#C)C2)cc1 ZINC000891608488 586181533 /nfs/dbraw/zinc/18/15/33/586181533.db2.gz ZUTOTVFHESTEJQ-INIZCTEOSA-N 1 2 339.395 0.851 20 30 ECEDLO C#CCOc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](CC#C)C2)cc1 ZINC000891608488 586181534 /nfs/dbraw/zinc/18/15/34/586181534.db2.gz ZUTOTVFHESTEJQ-INIZCTEOSA-N 1 2 339.395 0.851 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896577335 586259690 /nfs/dbraw/zinc/25/96/90/586259690.db2.gz NMAJKIDJZADVQA-HIFRSBDPSA-N 1 2 346.431 0.696 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896577335 586259692 /nfs/dbraw/zinc/25/96/92/586259692.db2.gz NMAJKIDJZADVQA-HIFRSBDPSA-N 1 2 346.431 0.696 20 30 ECEDLO CS(=O)(=O)CC[NH+]1CCC(Nc2ccc(C#N)cc2CO)CC1 ZINC000892440674 586266849 /nfs/dbraw/zinc/26/68/49/586266849.db2.gz FFWYAQOUGPEDGB-UHFFFAOYSA-N 1 2 337.445 0.971 20 30 ECEDLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC1 ZINC000866890116 586328879 /nfs/dbraw/zinc/32/88/79/586328879.db2.gz VVRFXISGGFVMHA-CQSZACIVSA-N 1 2 341.408 0.775 20 30 ECEDLO C#CC[C@@H]1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000888234697 586419572 /nfs/dbraw/zinc/41/95/72/586419572.db2.gz PFAXDKPTHKWFDI-CQSZACIVSA-N 1 2 341.477 0.550 20 30 ECEDLO Cn1c[nH+]c(CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1 ZINC000898615449 586437705 /nfs/dbraw/zinc/43/77/05/586437705.db2.gz LOSSCONMDAYDJO-UHFFFAOYSA-N 1 2 325.376 0.719 20 30 ECEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000843241787 589054919 /nfs/dbraw/zinc/05/49/19/589054919.db2.gz GMBZENLFUHKKOX-SJORKVTESA-N 1 2 347.459 0.572 20 30 ECEDLO Cc1cc(NC[C@H](O)C[N@H+](C)CCC#N)ccc1N1CCOCC1=O ZINC000899897052 586511616 /nfs/dbraw/zinc/51/16/16/586511616.db2.gz SRSGNIIQUOWQDT-INIZCTEOSA-N 1 2 346.431 0.977 20 30 ECEDLO Cc1cc(NC[C@H](O)C[N@@H+](C)CCC#N)ccc1N1CCOCC1=O ZINC000899897052 586511618 /nfs/dbraw/zinc/51/16/18/586511618.db2.gz SRSGNIIQUOWQDT-INIZCTEOSA-N 1 2 346.431 0.977 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C(C)(C)c2nccs2)CC1 ZINC000900585656 586648000 /nfs/dbraw/zinc/64/80/00/586648000.db2.gz XDBZWNKYXZCKRM-UHFFFAOYSA-N 1 2 348.472 0.704 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)c2nccs2)CC1 ZINC000900585656 586648003 /nfs/dbraw/zinc/64/80/03/586648003.db2.gz XDBZWNKYXZCKRM-UHFFFAOYSA-N 1 2 348.472 0.704 20 30 ECEDLO Cc1nc(C=NNC(=S)NCC[NH+]2CCOCC2)sc1C ZINC000901130890 586696686 /nfs/dbraw/zinc/69/66/86/586696686.db2.gz ZOBYCFCZSXRCAW-UHFFFAOYSA-N 1 2 327.479 0.890 20 30 ECEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(C[C@@H]2C[C@]23CCOC3)c1=O ZINC000902417203 586736519 /nfs/dbraw/zinc/73/65/19/586736519.db2.gz BILMNAUEOXCZCV-WMZOPIPTSA-N 1 2 329.400 0.979 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cc([C@H](O)c3ccccc3)cn2)CC1 ZINC000902852135 586760306 /nfs/dbraw/zinc/76/03/06/586760306.db2.gz LKQXGOUQEPNVME-LJQANCHMSA-N 1 2 338.411 0.742 20 30 ECEDLO C[C@H](OC(=O)Cc1ccc(C#N)cc1)C(=O)NCC[NH+]1CCOCC1 ZINC000805974113 586950349 /nfs/dbraw/zinc/95/03/49/586950349.db2.gz PJLNNKPGKWMXSC-AWEZNQCLSA-N 1 2 345.399 0.481 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2nccnc2Cl)CC1 ZINC000906578753 586956747 /nfs/dbraw/zinc/95/67/47/586956747.db2.gz JMHBKWILZOVMQA-UHFFFAOYSA-N 1 2 335.795 0.027 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2nccnc2Cl)CC1 ZINC000906578753 586956748 /nfs/dbraw/zinc/95/67/48/586956748.db2.gz JMHBKWILZOVMQA-UHFFFAOYSA-N 1 2 335.795 0.027 20 30 ECEDLO N#CCN1CCN(C(=O)c2cccn2CC[NH+]2CCOCC2)CC1 ZINC000906757960 586976822 /nfs/dbraw/zinc/97/68/22/586976822.db2.gz VNJXCZOUTVNPOJ-UHFFFAOYSA-N 1 2 331.420 0.102 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](CC[C@@H]3CCS(=O)(=O)C3)CC2)cn1 ZINC000801553244 586998905 /nfs/dbraw/zinc/99/89/05/586998905.db2.gz QUVXHRCZDCFAIZ-CQSZACIVSA-N 1 2 334.445 0.900 20 30 ECEDLO C=CCN1CCN(CN2CC[NH+](CC(=O)N[C@@H](C)CC)CC2)C1=O ZINC000839960579 587015819 /nfs/dbraw/zinc/01/58/19/587015819.db2.gz TXQNTJCRHYKJRS-HNNXBMFYSA-N 1 2 337.468 0.400 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cn2)CC[N@@H+]1CC(C)(C)O ZINC000907139955 587017251 /nfs/dbraw/zinc/01/72/51/587017251.db2.gz ADFPCILHDGCUTI-GFCCVEGCSA-N 1 2 338.433 0.419 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cn2)CC[N@H+]1CC(C)(C)O ZINC000907139955 587017253 /nfs/dbraw/zinc/01/72/53/587017253.db2.gz ADFPCILHDGCUTI-GFCCVEGCSA-N 1 2 338.433 0.419 20 30 ECEDLO C#CCC(CC#C)C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000807221824 587122181 /nfs/dbraw/zinc/12/21/81/587122181.db2.gz HCUFLJAFXAHEAI-OAHLLOKOSA-N 1 2 326.400 0.690 20 30 ECEDLO CCOC(=O)CC(C)(C)C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000807946976 587140366 /nfs/dbraw/zinc/14/03/66/587140366.db2.gz BAWXVLLYCIYVQF-UHFFFAOYSA-N 1 2 344.481 0.748 20 30 ECEDLO C#CCN(Cc1ncc(C[NH+](C)C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000809550893 587179667 /nfs/dbraw/zinc/17/96/67/587179667.db2.gz OPDGPXFWIVOMPU-GFCCVEGCSA-N 1 2 327.475 0.827 20 30 ECEDLO CN(C)c1cc(C#N)cc(C(=O)N2CCC[N@H+](CC(N)=O)CC2)c1 ZINC000815398777 587289513 /nfs/dbraw/zinc/28/95/13/587289513.db2.gz VTIHAPCHTFAQEJ-UHFFFAOYSA-N 1 2 329.404 0.257 20 30 ECEDLO CN(C)c1cc(C#N)cc(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)c1 ZINC000815398777 587289516 /nfs/dbraw/zinc/28/95/16/587289516.db2.gz VTIHAPCHTFAQEJ-UHFFFAOYSA-N 1 2 329.404 0.257 20 30 ECEDLO C#Cc1cccc(CNC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)c1 ZINC000817843780 587388889 /nfs/dbraw/zinc/38/88/89/587388889.db2.gz IDASSUGBLMXILN-UHFFFAOYSA-N 1 2 343.427 0.511 20 30 ECEDLO C#Cc1cccc(CNC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)c1 ZINC000817843780 587388890 /nfs/dbraw/zinc/38/88/90/587388890.db2.gz IDASSUGBLMXILN-UHFFFAOYSA-N 1 2 343.427 0.511 20 30 ECEDLO C#C[C@H](CCC)NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000820630928 587545907 /nfs/dbraw/zinc/54/59/07/587545907.db2.gz SDDTURGOGAWDLG-CYBMUJFWSA-N 1 2 341.419 0.997 20 30 ECEDLO CCCCOC(=O)Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000821044464 587570808 /nfs/dbraw/zinc/57/08/08/587570808.db2.gz QKBNDHNMNUADMM-UHFFFAOYSA-N 1 2 333.388 0.895 20 30 ECEDLO C#C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C1CCOCC1 ZINC000823164330 587706902 /nfs/dbraw/zinc/70/69/02/587706902.db2.gz UEPVAGKRUDROBM-DLBZAZTESA-N 1 2 335.448 0.921 20 30 ECEDLO C#C[C@@H](NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)C1CCOCC1 ZINC000823178360 587708095 /nfs/dbraw/zinc/70/80/95/587708095.db2.gz PHXGFMXYQPSXBQ-CQSZACIVSA-N 1 2 336.436 0.006 20 30 ECEDLO C#CC[C@H](NC(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1)C(=O)OC ZINC000823518734 587725895 /nfs/dbraw/zinc/72/58/95/587725895.db2.gz HYIJEEQXDLSJMA-HOTGVXAUSA-N 1 2 330.384 0.951 20 30 ECEDLO C#CC[C@H](NC(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1)C(=O)OC ZINC000823518734 587725896 /nfs/dbraw/zinc/72/58/96/587725896.db2.gz HYIJEEQXDLSJMA-HOTGVXAUSA-N 1 2 330.384 0.951 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2sccc2S(N)(=O)=O)CC1 ZINC000825077573 587915551 /nfs/dbraw/zinc/91/55/51/587915551.db2.gz BCGQQUSICJBXNA-UHFFFAOYSA-N 1 2 327.431 0.177 20 30 ECEDLO C#CC1CCN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)CC1 ZINC000826721246 588080789 /nfs/dbraw/zinc/08/07/89/588080789.db2.gz UCQPGKJHVXOLQB-UHFFFAOYSA-N 1 2 348.472 0.867 20 30 ECEDLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1cccc(F)c1C#N ZINC000832764242 588504192 /nfs/dbraw/zinc/50/41/92/588504192.db2.gz KIQJPCIGIIWNGI-NSHDSACASA-N 1 2 327.381 0.384 20 30 ECEDLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1cccc(F)c1C#N ZINC000832764242 588504193 /nfs/dbraw/zinc/50/41/93/588504193.db2.gz KIQJPCIGIIWNGI-NSHDSACASA-N 1 2 327.381 0.384 20 30 ECEDLO C[N@@H+](CC(=O)NCC(=O)NC(C)(C)C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368492 589109436 /nfs/dbraw/zinc/10/94/36/589109436.db2.gz XRDOAXYSIFLGDO-OAHLLOKOSA-N 1 2 346.431 0.554 20 30 ECEDLO C[N@H+](CC(=O)NCC(=O)NC(C)(C)C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368492 589109437 /nfs/dbraw/zinc/10/94/37/589109437.db2.gz XRDOAXYSIFLGDO-OAHLLOKOSA-N 1 2 346.431 0.554 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)C[C@H](O)c1cccc(C#N)c1 ZINC000844879076 589124384 /nfs/dbraw/zinc/12/43/84/589124384.db2.gz ACTHCQIDACWMCT-PBHICJAKSA-N 1 2 346.431 0.954 20 30 ECEDLO C#C[C@@H](NC(=O)N1CC[NH+](CCOCCOC)CC1)[C@H]1CCCO1 ZINC000845124248 589133363 /nfs/dbraw/zinc/13/33/63/589133363.db2.gz PGNRFEQQEVJJKK-HZPDHXFCSA-N 1 2 339.436 0.157 20 30 ECEDLO COCCOCC[NH+]1CCN(C(=O)NCc2ccc(C#N)cn2)CC1 ZINC000845132553 589133759 /nfs/dbraw/zinc/13/37/59/589133759.db2.gz CNSNHXLVPIWJEW-UHFFFAOYSA-N 1 2 347.419 0.443 20 30 ECEDLO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000846954766 589230510 /nfs/dbraw/zinc/23/05/10/589230510.db2.gz JLTMTNWDBSQVPR-CYBMUJFWSA-N 1 2 340.424 0.320 20 30 ECEDLO C#CCCN(CCOC)C(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000850711863 589381515 /nfs/dbraw/zinc/38/15/15/589381515.db2.gz GYMDZZZOHDLLAI-AWEZNQCLSA-N 1 2 332.404 0.234 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCN2C(=O)CN(C)C2=O)c1 ZINC000851730516 589418694 /nfs/dbraw/zinc/41/86/94/589418694.db2.gz PUKJXEOKZQDKOU-UHFFFAOYSA-N 1 2 328.372 0.432 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCN2C(=O)CN(C)C2=O)c1 ZINC000851730516 589418695 /nfs/dbraw/zinc/41/86/95/589418695.db2.gz PUKJXEOKZQDKOU-UHFFFAOYSA-N 1 2 328.372 0.432 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(CC(=O)OC)C2CCCCC2)CC1 ZINC000852414655 589495215 /nfs/dbraw/zinc/49/52/15/589495215.db2.gz SQCNLZPKBPRIIB-UHFFFAOYSA-N 1 2 335.448 0.572 20 30 ECEDLO CCN1CC[C@@H](ON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)C1=O ZINC000853657181 589553943 /nfs/dbraw/zinc/55/39/43/589553943.db2.gz APUUCGSJPMTABN-MRXNPFEDSA-N 1 2 346.431 0.777 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000112920262 589616953 /nfs/dbraw/zinc/61/69/53/589616953.db2.gz RVDNUWKQQKWNCQ-UHFFFAOYSA-N 1 2 348.834 0.917 20 30 ECEDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C#N)c(OC)c1 ZINC000857183531 589688907 /nfs/dbraw/zinc/68/89/07/589688907.db2.gz HRUCJECYFSVDMV-ZDUSSCGKSA-N 1 2 328.328 0.735 20 30 ECEDLO CC[N@H+](CCS(C)(=O)=O)C[C@H](O)COc1ccccc1C#N ZINC000859204958 589807438 /nfs/dbraw/zinc/80/74/38/589807438.db2.gz QCYXGEMGNKSEFG-AWEZNQCLSA-N 1 2 326.418 0.664 20 30 ECEDLO CC[N@@H+](CCS(C)(=O)=O)C[C@H](O)COc1ccccc1C#N ZINC000859204958 589807440 /nfs/dbraw/zinc/80/74/40/589807440.db2.gz QCYXGEMGNKSEFG-AWEZNQCLSA-N 1 2 326.418 0.664 20 30 ECEDLO N#Cc1cccc([C@@H](NC(=O)CN2CC[NH2+]CC2=O)C(F)(F)F)c1 ZINC000868051501 589870704 /nfs/dbraw/zinc/87/07/04/589870704.db2.gz GRDSVRSHISCEOZ-CQSZACIVSA-N 1 2 340.305 0.710 20 30 ECEDLO N#CC1(CC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000870058536 589992471 /nfs/dbraw/zinc/99/24/71/589992471.db2.gz MYYMTAUVIXYCKG-OAHLLOKOSA-N 1 2 337.420 0.256 20 30 ECEDLO N#CCc1ccc(C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000870065732 589995530 /nfs/dbraw/zinc/99/55/30/589995530.db2.gz UQXHDLGYCUSLNP-KRWDZBQOSA-N 1 2 329.400 0.926 20 30 ECEDLO C=CCCOCC(=O)O[C@@H]1C[C@@H]2C(=O)NCc3ccc[nH+]c3N2C1 ZINC000870521996 590021472 /nfs/dbraw/zinc/02/14/72/590021472.db2.gz FDUFZYNLEPTNJO-ZIAGYGMSSA-N 1 2 331.372 0.795 20 30 ECEDLO N#C[C@]1(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCCOC1 ZINC000864981120 590119271 /nfs/dbraw/zinc/11/92/71/590119271.db2.gz DLDWILVRYJLFTP-CVEARBPZSA-N 1 2 339.461 0.631 20 30 ECEDLO C[C@]1(NC(=O)C(F)(F)F)CC[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000879767412 590344073 /nfs/dbraw/zinc/34/40/73/590344073.db2.gz YGTMWYLWIZCWQN-LBPRGKRZSA-N 1 2 332.326 0.692 20 30 ECEDLO C[C@]1(NC(=O)C(F)(F)F)CC[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000879767412 590344076 /nfs/dbraw/zinc/34/40/76/590344076.db2.gz YGTMWYLWIZCWQN-LBPRGKRZSA-N 1 2 332.326 0.692 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)O[C@@H](C)C2)CC1 ZINC000880058324 590364183 /nfs/dbraw/zinc/36/41/83/590364183.db2.gz WAMXBESPXPHXSA-UONOGXRCSA-N 1 2 347.381 0.806 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)O[C@@H](C)C2)CC1 ZINC000880058324 590364185 /nfs/dbraw/zinc/36/41/85/590364185.db2.gz WAMXBESPXPHXSA-UONOGXRCSA-N 1 2 347.381 0.806 20 30 ECEDLO C[C@H](C(=O)N1CCN(c2ccc(C#N)cc2)CC1)N1CC[NH2+]CC1=O ZINC000877249750 590450154 /nfs/dbraw/zinc/45/01/54/590450154.db2.gz LPSMBODJDLNTQT-CQSZACIVSA-N 1 2 341.415 0.027 20 30 ECEDLO C#CC[N@@H+](CC(=O)N1CCC(C(=O)N2CCCC2)CC1)C1CSC1 ZINC000878914139 590550928 /nfs/dbraw/zinc/55/09/28/590550928.db2.gz NTMVLLIBBDLXGE-UHFFFAOYSA-N 1 2 349.500 0.898 20 30 ECEDLO C#CC[N@H+](CC(=O)N1CCC(C(=O)N2CCCC2)CC1)C1CSC1 ZINC000878914139 590550930 /nfs/dbraw/zinc/55/09/30/590550930.db2.gz NTMVLLIBBDLXGE-UHFFFAOYSA-N 1 2 349.500 0.898 20 30 ECEDLO C[C@H]1C[N@H+](CCOC(=O)CCNC(=O)C2N=CC=CC2=O)CCO1 ZINC000800172796 590723566 /nfs/dbraw/zinc/72/35/66/590723566.db2.gz CENPBSIKDXPUCL-VVLLMFOMSA-N 1 2 337.376 0.167 20 30 ECEDLO C[C@H]1C[N@@H+](CCOC(=O)CCNC(=O)C2N=CC=CC2=O)CCO1 ZINC000800172796 590723569 /nfs/dbraw/zinc/72/35/69/590723569.db2.gz CENPBSIKDXPUCL-VVLLMFOMSA-N 1 2 337.376 0.167 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2c3c(nn2C)CCCC3)C1 ZINC000885508892 590728552 /nfs/dbraw/zinc/72/85/52/590728552.db2.gz NGQSLKZPNPSJKX-CYBMUJFWSA-N 1 2 336.461 0.675 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2c3c(nn2C)CCCC3)C1 ZINC000885508892 590728553 /nfs/dbraw/zinc/72/85/53/590728553.db2.gz NGQSLKZPNPSJKX-CYBMUJFWSA-N 1 2 336.461 0.675 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2c(CC)nn(C)c2CC)C1 ZINC000885512642 590730615 /nfs/dbraw/zinc/73/06/15/590730615.db2.gz XJBVMEDBPLAPJN-CYBMUJFWSA-N 1 2 338.477 0.921 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2c(CC)nn(C)c2CC)C1 ZINC000885512642 590730619 /nfs/dbraw/zinc/73/06/19/590730619.db2.gz XJBVMEDBPLAPJN-CYBMUJFWSA-N 1 2 338.477 0.921 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000884112022 590743185 /nfs/dbraw/zinc/74/31/85/590743185.db2.gz ZORPAPSPUUGYBA-CABCVRRESA-N 1 2 340.420 0.620 20 30 ECEDLO C[N@H+](CC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1)CC(C)(C)C ZINC000886210521 590815401 /nfs/dbraw/zinc/81/54/01/590815401.db2.gz VAHHPBDTSYFKKC-IUODEOHRSA-N 1 2 327.450 0.361 20 30 ECEDLO C[N@@H+](CC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1)CC(C)(C)C ZINC000886210521 590815404 /nfs/dbraw/zinc/81/54/04/590815404.db2.gz VAHHPBDTSYFKKC-IUODEOHRSA-N 1 2 327.450 0.361 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)NCC2(CS(C)(=O)=O)CCC2)C1 ZINC000884418717 590824066 /nfs/dbraw/zinc/82/40/66/590824066.db2.gz SVYKWNFCBOOHDX-AWEZNQCLSA-N 1 2 341.477 0.598 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NCC2(CS(C)(=O)=O)CCC2)C1 ZINC000884418717 590824071 /nfs/dbraw/zinc/82/40/71/590824071.db2.gz SVYKWNFCBOOHDX-AWEZNQCLSA-N 1 2 341.477 0.598 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1cn(C)c2ncccc12 ZINC000884470887 590835506 /nfs/dbraw/zinc/83/55/06/590835506.db2.gz DXFWWTHMNFYOTA-AWEZNQCLSA-N 1 2 330.388 0.679 20 30 ECEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H](O)C3(O)CCOCC3)CCO2)c1 ZINC000930133609 611394156 /nfs/dbraw/zinc/39/41/56/611394156.db2.gz ANHFGHHTOJXJLN-DLBZAZTESA-N 1 2 332.400 0.834 20 30 ECEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H](O)C3(O)CCOCC3)CCO2)c1 ZINC000930133609 611394158 /nfs/dbraw/zinc/39/41/58/611394158.db2.gz ANHFGHHTOJXJLN-DLBZAZTESA-N 1 2 332.400 0.834 20 30 ECEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](C[C@@H](O)C2(O)CCOCC2)C1 ZINC000930923753 611483086 /nfs/dbraw/zinc/48/30/86/611483086.db2.gz OAVODUUOLJYJMC-IAGOWNOFSA-N 1 2 331.416 0.841 20 30 ECEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](C[C@@H](O)C2(O)CCOCC2)C1 ZINC000930923753 611483087 /nfs/dbraw/zinc/48/30/87/611483087.db2.gz OAVODUUOLJYJMC-IAGOWNOFSA-N 1 2 331.416 0.841 20 30 ECEDLO COC1(OC)CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C[C@H]1O ZINC000931642293 611560619 /nfs/dbraw/zinc/56/06/19/611560619.db2.gz PHMPYCLFWSLHCJ-IUODEOHRSA-N 1 2 333.388 0.941 20 30 ECEDLO COC1(OC)CC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C[C@H]1O ZINC000931642293 611560621 /nfs/dbraw/zinc/56/06/21/611560621.db2.gz PHMPYCLFWSLHCJ-IUODEOHRSA-N 1 2 333.388 0.941 20 30 ECEDLO COCC[NH+]1CCN(C(=O)C(=O)NCc2ccc(C)c(C#N)c2)CC1 ZINC000932472245 611632026 /nfs/dbraw/zinc/63/20/26/611632026.db2.gz AWTGAXHGLIPMMF-UHFFFAOYSA-N 1 2 344.415 0.274 20 30 ECEDLO CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000937353921 608611007 /nfs/dbraw/zinc/61/10/07/608611007.db2.gz VYMRVUGTOOCUPV-JKSUJKDBSA-N 1 2 340.427 0.918 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](CCS(C)(=O)=O)[C@@H](C)C2)c1 ZINC000947710536 611662498 /nfs/dbraw/zinc/66/24/98/611662498.db2.gz NMGGUHCSCVKASA-XJKSGUPXSA-N 1 2 349.456 0.690 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](CCS(C)(=O)=O)[C@@H](C)C2)c1 ZINC000947710536 611662500 /nfs/dbraw/zinc/66/25/00/611662500.db2.gz NMGGUHCSCVKASA-XJKSGUPXSA-N 1 2 349.456 0.690 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1cn(C)nn1 ZINC000947217351 608960545 /nfs/dbraw/zinc/96/05/45/608960545.db2.gz MHNFSNMOLPFRLS-RYUDHWBXSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1cn(C)nn1 ZINC000947217351 608960547 /nfs/dbraw/zinc/96/05/47/608960547.db2.gz MHNFSNMOLPFRLS-RYUDHWBXSA-N 1 2 327.392 0.798 20 30 ECEDLO C[NH+](C)CC#CCNC(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000913523239 609684397 /nfs/dbraw/zinc/68/43/97/609684397.db2.gz RCJKFTLQZGJKEL-UHFFFAOYSA-N 1 2 330.356 0.978 20 30 ECEDLO O=S(=O)(NC1CC1)c1ccc(NNC2=CS(=O)(=O)CC2)[nH+]c1 ZINC000914700625 609896015 /nfs/dbraw/zinc/89/60/15/609896015.db2.gz CGSYGYCETWNNKA-UHFFFAOYSA-N 1 2 344.418 0.109 20 30 ECEDLO N#CCc1ccccc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000917061372 609959574 /nfs/dbraw/zinc/95/95/74/609959574.db2.gz HXLSAYIZPDCNER-HNNXBMFYSA-N 1 2 334.445 0.421 20 30 ECEDLO N#CCc1ccccc1S(=O)(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000917061372 609959576 /nfs/dbraw/zinc/95/95/76/609959576.db2.gz HXLSAYIZPDCNER-HNNXBMFYSA-N 1 2 334.445 0.421 20 30 ECEDLO C=CC[N@H+](CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)C(C)C ZINC000917070890 609961366 /nfs/dbraw/zinc/96/13/66/609961366.db2.gz JJANGRVSNAEDIL-HNNXBMFYSA-N 1 2 343.493 0.214 20 30 ECEDLO C=CC[N@@H+](CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)C(C)C ZINC000917070890 609961367 /nfs/dbraw/zinc/96/13/67/609961367.db2.gz JJANGRVSNAEDIL-HNNXBMFYSA-N 1 2 343.493 0.214 20 30 ECEDLO C[N@@H+]1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@H](CO)C1 ZINC000912739314 609996352 /nfs/dbraw/zinc/99/63/52/609996352.db2.gz WHKDMJNAAXGPBV-HNNXBMFYSA-N 1 2 325.372 0.492 20 30 ECEDLO C[N@H+]1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@H](CO)C1 ZINC000912739314 609996354 /nfs/dbraw/zinc/99/63/54/609996354.db2.gz WHKDMJNAAXGPBV-HNNXBMFYSA-N 1 2 325.372 0.492 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000939516273 610225142 /nfs/dbraw/zinc/22/51/42/610225142.db2.gz XTAQTSZKFJOLBW-OEUWWYETSA-N 1 2 346.431 0.897 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc4c(c3)NC(=O)C4)CC2)C1 ZINC000941419769 610306095 /nfs/dbraw/zinc/30/60/95/610306095.db2.gz DPCZJEWDEDAUNN-UHFFFAOYSA-N 1 2 338.411 0.256 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c(C4CC4)cnn3C)CC2)C1 ZINC000941432544 610312736 /nfs/dbraw/zinc/31/27/36/610312736.db2.gz DITQJHYAQISASX-UHFFFAOYSA-N 1 2 341.459 0.763 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccc4c3COCC4)CC2)C1 ZINC000941432540 610312749 /nfs/dbraw/zinc/31/27/49/610312749.db2.gz DCNCRWSSUIWWMZ-UHFFFAOYSA-N 1 2 339.439 0.835 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000941447912 610323366 /nfs/dbraw/zinc/32/33/66/610323366.db2.gz ATQPHLNMTZIWIV-ZIAGYGMSSA-N 1 2 329.404 0.666 20 30 ECEDLO C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@H](C)S(C)(=O)=O)CC2)C1 ZINC000941455330 610327742 /nfs/dbraw/zinc/32/77/42/610327742.db2.gz OCTPOHJGULPGIT-AWEZNQCLSA-N 1 2 343.493 0.214 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C3CCC(C(N)=O)CC3)CC2)C1 ZINC000941468219 610328879 /nfs/dbraw/zinc/32/88/79/610328879.db2.gz PAUAEHUUQHSBDR-UHFFFAOYSA-N 1 2 346.475 0.130 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCN(C3CN(CC#N)C3)CC1)C2 ZINC000941465996 610334487 /nfs/dbraw/zinc/33/44/87/610334487.db2.gz RFRYTDSHWPQRML-AWEZNQCLSA-N 1 2 342.447 0.175 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCN(C3CN(CC#N)C3)CC1)CC2 ZINC000941465996 610334488 /nfs/dbraw/zinc/33/44/88/610334488.db2.gz RFRYTDSHWPQRML-AWEZNQCLSA-N 1 2 342.447 0.175 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3nc(C)c(C)nc3C)CC2)C1 ZINC000941479632 610334738 /nfs/dbraw/zinc/33/47/38/610334738.db2.gz NNLDUEMRGZVREJ-UHFFFAOYSA-N 1 2 327.432 0.477 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc4c(c3)CCOC4)CC2)C1 ZINC000941484431 610337343 /nfs/dbraw/zinc/33/73/43/610337343.db2.gz YLDVNXNOVGGQAD-UHFFFAOYSA-N 1 2 339.439 0.835 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCc4nn(C)cc43)CC2)C1 ZINC000941533717 610365193 /nfs/dbraw/zinc/36/51/93/610365193.db2.gz FRJNBGVGSZOHSJ-INIZCTEOSA-N 1 2 341.459 0.302 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3Cc4ccc(F)cc43)CC2)C1 ZINC000941534238 610365694 /nfs/dbraw/zinc/36/56/94/610365694.db2.gz PXAPADLHSCNDNR-GOSISDBHSA-N 1 2 327.403 0.927 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccnc(C4CC4)n3)CC2)C1 ZINC000941590448 610386986 /nfs/dbraw/zinc/38/69/86/610386986.db2.gz QAWOLJHKYJJWOD-UHFFFAOYSA-N 1 2 339.443 0.819 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)C1 ZINC000941584871 610395378 /nfs/dbraw/zinc/39/53/78/610395378.db2.gz GMTXGKUUTKGRLK-UHFFFAOYSA-N 1 2 339.399 0.344 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnn(CC(C)C)c3)CC2)C1 ZINC000941618596 610399100 /nfs/dbraw/zinc/39/91/00/610399100.db2.gz XWTDMAIVUIBSAQ-UHFFFAOYSA-N 1 2 329.448 0.614 20 30 ECEDLO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H](C)Cc3c[nH]cn3)CC2)C1 ZINC000941599964 610400739 /nfs/dbraw/zinc/40/07/39/610400739.db2.gz OLXNSCACZWQEEP-OAHLLOKOSA-N 1 2 331.464 0.993 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000942332633 610405470 /nfs/dbraw/zinc/40/54/70/610405470.db2.gz YZMBXTZWYIUVDZ-QWHCGFSZSA-N 1 2 338.371 0.758 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3noc4c3C[C@H](C)CC4)CC2)C1 ZINC000941627876 610416388 /nfs/dbraw/zinc/41/63/88/610416388.db2.gz MWQHDCOMDKCLHH-CQSZACIVSA-N 1 2 342.443 0.875 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccnc3OCC)CC2)C1 ZINC000941654224 610429596 /nfs/dbraw/zinc/42/95/96/610429596.db2.gz CJZHRVPYJHFNBQ-UHFFFAOYSA-N 1 2 328.416 0.556 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)nc1 ZINC000941881934 610540665 /nfs/dbraw/zinc/54/06/65/610540665.db2.gz NHPUCBAMAKQCAH-OAHLLOKOSA-N 1 2 337.383 0.680 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ncn[nH]3)C(C)(C)C2)C1=O ZINC000941110985 610542497 /nfs/dbraw/zinc/54/24/97/610542497.db2.gz NJHXWTOZFXAGKY-STQMWFEESA-N 1 2 346.435 0.422 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ncn[nH]3)C(C)(C)C2)C1=O ZINC000941110985 610542498 /nfs/dbraw/zinc/54/24/98/610542498.db2.gz NJHXWTOZFXAGKY-STQMWFEESA-N 1 2 346.435 0.422 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3nc[nH]n3)C(C)(C)C2)C1=O ZINC000941110985 610542499 /nfs/dbraw/zinc/54/24/99/610542499.db2.gz NJHXWTOZFXAGKY-STQMWFEESA-N 1 2 346.435 0.422 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3nc[nH]n3)C(C)(C)C2)C1=O ZINC000941110985 610542501 /nfs/dbraw/zinc/54/25/01/610542501.db2.gz NJHXWTOZFXAGKY-STQMWFEESA-N 1 2 346.435 0.422 20 30 ECEDLO C[C@H]1C[N@H+](Cc2ncnn2C)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941931484 610569164 /nfs/dbraw/zinc/56/91/64/610569164.db2.gz ZKCDHDPQBYSCLL-AAEUAGOBSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@H]1C[N@@H+](Cc2ncnn2C)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941931484 610569166 /nfs/dbraw/zinc/56/91/66/610569166.db2.gz ZKCDHDPQBYSCLL-AAEUAGOBSA-N 1 2 327.392 0.655 20 30 ECEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000942744794 610595821 /nfs/dbraw/zinc/59/58/21/610595821.db2.gz PIAMPVUDRMWBLJ-CQSZACIVSA-N 1 2 340.387 0.846 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000941290583 610644681 /nfs/dbraw/zinc/64/46/81/610644681.db2.gz JJHNWDOZZLYAAY-CQSZACIVSA-N 1 2 343.431 0.982 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ncnn3C)C[C@@H]2C)cn1 ZINC000944213858 610785999 /nfs/dbraw/zinc/78/59/99/610785999.db2.gz GWZCPQJHZLGDPB-BBRMVZONSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ncnn3C)C[C@@H]2C)cn1 ZINC000944213858 610786000 /nfs/dbraw/zinc/78/60/00/610786000.db2.gz GWZCPQJHZLGDPB-BBRMVZONSA-N 1 2 338.415 0.832 20 30 ECEDLO O=C(C#CC1CC1)N1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC000944934079 610849554 /nfs/dbraw/zinc/84/95/54/610849554.db2.gz VVPFAJVDUQMZCC-UHFFFAOYSA-N 1 2 326.400 0.748 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)[nH]1 ZINC000943986785 611070257 /nfs/dbraw/zinc/07/02/57/611070257.db2.gz MNDQWZOGBMFLGR-CYBMUJFWSA-N 1 2 340.387 0.963 20 30 ECEDLO O=C(C#CC1CC1)N1CCC[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000944010323 611082997 /nfs/dbraw/zinc/08/29/97/611082997.db2.gz JKERLKCLJCXTMJ-JKSUJKDBSA-N 1 2 340.427 0.966 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CCCN2C(=O)CCc2c[nH]c[nH+]2)c[nH]1 ZINC000944087679 611120836 /nfs/dbraw/zinc/12/08/36/611120836.db2.gz APOOHTNSYRWZMO-OAHLLOKOSA-N 1 2 340.387 0.963 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CCCN2C(=O)CCc2c[nH+]c[nH]2)c[nH]1 ZINC000944087679 611120837 /nfs/dbraw/zinc/12/08/37/611120837.db2.gz APOOHTNSYRWZMO-OAHLLOKOSA-N 1 2 340.387 0.963 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000944108783 611127677 /nfs/dbraw/zinc/12/76/77/611127677.db2.gz KDIUSAVYEVZJCV-VYDXJSESSA-N 1 2 346.431 0.972 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000946290626 611198794 /nfs/dbraw/zinc/19/87/94/611198794.db2.gz GASFHKDSTQEPFU-QWHCGFSZSA-N 1 2 340.387 0.867 20 30 ECEDLO NS(=O)(=O)c1ccc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)c(F)c1 ZINC000842529358 611315263 /nfs/dbraw/zinc/31/52/63/611315263.db2.gz XBPNWHWZQUEPPF-CHWSQXEVSA-N 1 2 339.396 0.667 20 30 ECEDLO C#CC[C@@H](CO)NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000923631105 611332702 /nfs/dbraw/zinc/33/27/02/611332702.db2.gz ICKCDYKUJVKZPY-AWEZNQCLSA-N 1 2 334.445 0.818 20 30 ECEDLO CN(Cc1cc(C#N)cs1)C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000929100154 611728869 /nfs/dbraw/zinc/72/88/69/611728869.db2.gz NZIKQIGDTHCGMI-UHFFFAOYSA-N 1 2 331.401 0.981 20 30 ECEDLO N#Cc1ccc([C@@H]2C[N@H+](C[C@@H](O)C[C@@]3(O)CCOC3)CCO2)cc1 ZINC000933632136 611736920 /nfs/dbraw/zinc/73/69/20/611736920.db2.gz OTYGABOQRYCTLP-BZSNNMDCSA-N 1 2 332.400 0.834 20 30 ECEDLO N#Cc1ccc([C@@H]2C[N@@H+](C[C@@H](O)C[C@@]3(O)CCOC3)CCO2)cc1 ZINC000933632136 611736922 /nfs/dbraw/zinc/73/69/22/611736922.db2.gz OTYGABOQRYCTLP-BZSNNMDCSA-N 1 2 332.400 0.834 20 30 ECEDLO COC[C@H](C)NC(=O)NC(=O)C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933655884 611739120 /nfs/dbraw/zinc/73/91/20/611739120.db2.gz FHQWUSVSSPYINA-LBPRGKRZSA-N 1 2 339.392 0.185 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCOC[C@@H]2C[C@@H]2CCCO2)CC1 ZINC000933681380 611741009 /nfs/dbraw/zinc/74/10/09/611741009.db2.gz JWOJXGGPJKWGPF-IRXDYDNUSA-N 1 2 335.448 0.034 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCOC[C@@H]2C[C@@H]2CCCO2)CC1 ZINC000933681380 611741011 /nfs/dbraw/zinc/74/10/11/611741011.db2.gz JWOJXGGPJKWGPF-IRXDYDNUSA-N 1 2 335.448 0.034 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3nncn3C)[C@H](C)C2)cn1 ZINC000947949741 611753009 /nfs/dbraw/zinc/75/30/09/611753009.db2.gz ZQMOBXHRWSTKDB-CZUORRHYSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nncn3C)[C@H](C)C2)cn1 ZINC000947949741 611753012 /nfs/dbraw/zinc/75/30/12/611753012.db2.gz ZQMOBXHRWSTKDB-CZUORRHYSA-N 1 2 338.415 0.974 20 30 ECEDLO N#CC[C@@H](O)C[NH+]1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000929687422 611781727 /nfs/dbraw/zinc/78/17/27/611781727.db2.gz WKHVKDOYXLFEEE-CQSZACIVSA-N 1 2 334.395 0.448 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000950233020 611917927 /nfs/dbraw/zinc/91/79/27/611917927.db2.gz QEVILQOAMRYPHU-LZWOXQAQSA-N 1 2 346.431 0.959 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000949387325 611960732 /nfs/dbraw/zinc/96/07/32/611960732.db2.gz KPSZPQGGVWNGTK-UKRRQHHQSA-N 1 2 343.431 0.960 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCN(C)C3=O)CC2)C1 ZINC000949391661 611962337 /nfs/dbraw/zinc/96/23/37/611962337.db2.gz PKYAXFAJDZTDKT-HNNXBMFYSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCN(C)C3=O)CC2)C1 ZINC000949391661 611962339 /nfs/dbraw/zinc/96/23/39/611962339.db2.gz PKYAXFAJDZTDKT-HNNXBMFYSA-N 1 2 333.432 0.181 20 30 ECEDLO NC(=O)C(=O)N1CCC2(CC1)C[N@H+](CC#Cc1ccccc1)CCO2 ZINC000949458855 611988240 /nfs/dbraw/zinc/98/82/40/611988240.db2.gz XIMJEUCROKNLIB-UHFFFAOYSA-N 1 2 341.411 0.217 20 30 ECEDLO NC(=O)C(=O)N1CCC2(CC1)C[N@@H+](CC#Cc1ccccc1)CCO2 ZINC000949458855 611988241 /nfs/dbraw/zinc/98/82/41/611988241.db2.gz XIMJEUCROKNLIB-UHFFFAOYSA-N 1 2 341.411 0.217 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cccc(=O)n3C)CC2)C1 ZINC000949469161 611990905 /nfs/dbraw/zinc/99/09/05/611990905.db2.gz UNQVHQNGUWHLDC-UHFFFAOYSA-N 1 2 329.400 0.326 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cccc(=O)n3C)CC2)C1 ZINC000949469161 611990908 /nfs/dbraw/zinc/99/09/08/611990908.db2.gz UNQVHQNGUWHLDC-UHFFFAOYSA-N 1 2 329.400 0.326 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)CCc3cnn(C)n3)CC2)C1 ZINC000949472427 611992181 /nfs/dbraw/zinc/99/21/81/611992181.db2.gz FCUYOWDHLRGXCQ-UHFFFAOYSA-N 1 2 331.420 0.074 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)CCc3cnn(C)n3)CC2)C1 ZINC000949472427 611992183 /nfs/dbraw/zinc/99/21/83/611992183.db2.gz FCUYOWDHLRGXCQ-UHFFFAOYSA-N 1 2 331.420 0.074 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCCCN3C(N)=O)CC2)C1 ZINC000949509727 612014764 /nfs/dbraw/zinc/01/47/64/612014764.db2.gz YEWRKMHFSXPWDJ-OAHLLOKOSA-N 1 2 348.447 0.246 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCCCN3C(N)=O)CC2)C1 ZINC000949509727 612014767 /nfs/dbraw/zinc/01/47/67/612014767.db2.gz YEWRKMHFSXPWDJ-OAHLLOKOSA-N 1 2 348.447 0.246 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3conc3COC)CC2)C1 ZINC000949512251 612016019 /nfs/dbraw/zinc/01/60/19/612016019.db2.gz SUUVESMASCIAGU-UHFFFAOYSA-N 1 2 333.388 0.761 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3conc3COC)CC2)C1 ZINC000949512251 612016020 /nfs/dbraw/zinc/01/60/20/612016020.db2.gz SUUVESMASCIAGU-UHFFFAOYSA-N 1 2 333.388 0.761 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cnn4cc[nH]c34)CC2)C1 ZINC000949518114 612018119 /nfs/dbraw/zinc/01/81/19/612018119.db2.gz LEWMDAJDSJCVEU-UHFFFAOYSA-N 1 2 327.388 0.603 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cnn4cc[nH]c34)CC2)C1 ZINC000949518114 612018120 /nfs/dbraw/zinc/01/81/20/612018120.db2.gz LEWMDAJDSJCVEU-UHFFFAOYSA-N 1 2 327.388 0.603 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)CCn2cc[nH+]c2)cn1 ZINC000951385457 612198355 /nfs/dbraw/zinc/19/83/55/612198355.db2.gz 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N#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)[nH]1 ZINC000951814944 612656184 /nfs/dbraw/zinc/65/61/84/612656184.db2.gz XGYOEOPLGPAYKS-GFCCVEGCSA-N 1 2 326.360 0.573 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCN2C(=O)CCc2c[nH]c[nH+]2)c1 ZINC000956063683 612666945 /nfs/dbraw/zinc/66/69/45/612666945.db2.gz MDSMFVUAFJSYLE-AWEZNQCLSA-N 1 2 340.387 0.963 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCN2C(=O)CCc2c[nH+]c[nH]2)c1 ZINC000956063683 612666949 /nfs/dbraw/zinc/66/69/49/612666949.db2.gz MDSMFVUAFJSYLE-AWEZNQCLSA-N 1 2 340.387 0.963 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@]2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC000956930781 612713727 /nfs/dbraw/zinc/71/37/27/612713727.db2.gz WZWQCAUKLFECCW-INIZCTEOSA-N 1 2 343.391 0.151 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)CCn2cc[nH+]c2)[nH]1 ZINC000956118435 612722241 /nfs/dbraw/zinc/72/22/41/612722241.db2.gz ISOMFWDTFZGCJH-AWEZNQCLSA-N 1 2 340.387 0.894 20 30 ECEDLO CN(C(=O)Cc1[nH]cc[nH+]1)C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000954198930 612758522 /nfs/dbraw/zinc/75/85/22/612758522.db2.gz NKTQITWMCMDFQQ-UHFFFAOYSA-N 1 2 340.387 0.915 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)C3CC3)CC2)C1 ZINC000956571317 612914585 /nfs/dbraw/zinc/91/45/85/612914585.db2.gz OQNSLJHVYUFUOU-ZACQAIPSSA-N 1 2 347.459 0.733 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CC(C)(F)F)CC2)C1 ZINC000956603573 612924233 /nfs/dbraw/zinc/92/42/33/612924233.db2.gz CMRGMUSSMDUWOO-CHWSQXEVSA-N 1 2 342.390 0.936 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3[nH]nc(C)c3c2)[C@@H](n2ccnn2)C1 ZINC001069975941 790269058 /nfs/dbraw/zinc/26/90/58/790269058.db2.gz BTRFMYPEJMAQGG-SJORKVTESA-N 1 2 349.398 0.751 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3[nH]nc(C)c3c2)[C@@H](n2ccnn2)C1 ZINC001069975941 790269063 /nfs/dbraw/zinc/26/90/63/790269063.db2.gz BTRFMYPEJMAQGG-SJORKVTESA-N 1 2 349.398 0.751 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC000973000015 738529996 /nfs/dbraw/zinc/52/99/96/738529996.db2.gz 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N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(=O)[nH]c3)C2)s1 ZINC001078120128 782333586 /nfs/dbraw/zinc/33/35/86/782333586.db2.gz WDUIGWMJUJJBQG-ZIAGYGMSSA-N 1 2 344.396 0.695 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H](C)C2C[NH+](Cc3cc(C)n(C)n3)C2)nn1 ZINC000970543801 733660454 /nfs/dbraw/zinc/66/04/54/733660454.db2.gz AXIGXEVFVQGFHX-CYBMUJFWSA-N 1 2 343.435 0.756 20 30 ECEDLO CC(C)N(CCN(C)c1nccnc1C#N)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125439870 734080032 /nfs/dbraw/zinc/08/00/32/734080032.db2.gz XWLGKWPINDRUCP-OAHLLOKOSA-N 1 2 346.435 0.352 20 30 ECEDLO CC(C)N(CCN(C)c1nccnc1C#N)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125439870 734080034 /nfs/dbraw/zinc/08/00/34/734080034.db2.gz XWLGKWPINDRUCP-OAHLLOKOSA-N 1 2 346.435 0.352 20 30 ECEDLO N#Cc1c(F)cccc1N1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001104321345 734295641 /nfs/dbraw/zinc/29/56/41/734295641.db2.gz BNGHMSQGCJMURY-ZDUSSCGKSA-N 1 2 343.362 0.915 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NC[C@@H]1CN(c2ncccc2C#N)CCO1 ZINC001104322115 734299668 /nfs/dbraw/zinc/29/96/68/734299668.db2.gz VQTQQHUALQYUNB-OAHLLOKOSA-N 1 2 340.387 0.251 20 30 ECEDLO Cc1cc(N2CCO[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)c(C#N)cn1 ZINC001104327061 734329113 /nfs/dbraw/zinc/32/91/13/734329113.db2.gz XSBRCAOPDVPXRE-AWEZNQCLSA-N 1 2 340.387 0.549 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000971219965 734370378 /nfs/dbraw/zinc/37/03/78/734370378.db2.gz ACKHSSNQXPQZID-WCQYABFASA-N 1 2 328.376 0.215 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000971219965 734370382 /nfs/dbraw/zinc/37/03/82/734370382.db2.gz ACKHSSNQXPQZID-WCQYABFASA-N 1 2 328.376 0.215 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2cncc(C)c2)[C@@H](n2ccnn2)C1 ZINC001069987977 790281502 /nfs/dbraw/zinc/28/15/02/790281502.db2.gz CKMPUNGTWUMVEG-SJORKVTESA-N 1 2 338.415 0.589 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2cncc(C)c2)[C@@H](n2ccnn2)C1 ZINC001069987977 790281505 /nfs/dbraw/zinc/28/15/05/790281505.db2.gz 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C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3cccc(C)c3=O)C2)C1 ZINC000972380331 736048182 /nfs/dbraw/zinc/04/81/82/736048182.db2.gz GCYSJGVYAZTGAH-GOSISDBHSA-N 1 2 331.416 0.646 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3cnn4c3CCCC4)C2)C1 ZINC000972423413 736170048 /nfs/dbraw/zinc/17/00/48/736170048.db2.gz UTFQPDASLZLAAE-LJQANCHMSA-N 1 2 342.443 0.698 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3cnn4c3CCCC4)C2)C1 ZINC000972423413 736170052 /nfs/dbraw/zinc/17/00/52/736170052.db2.gz UTFQPDASLZLAAE-LJQANCHMSA-N 1 2 342.443 0.698 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc4n[nH]cc4c3)C2)C1 ZINC000972428514 736177093 /nfs/dbraw/zinc/17/70/93/736177093.db2.gz LIUCYQGWAFFTNV-GOSISDBHSA-N 1 2 339.399 0.898 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc4n[nH]cc4c3)C2)C1 ZINC000972428514 736177096 /nfs/dbraw/zinc/17/70/96/736177096.db2.gz LIUCYQGWAFFTNV-GOSISDBHSA-N 1 2 339.399 0.898 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccnn3CCOC)C2)C1 ZINC000972429136 736178655 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ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nccn4C3)C2)C1 ZINC000972442059 736206007 /nfs/dbraw/zinc/20/60/07/736206007.db2.gz YGROFXFOPLKINK-QAPCUYQASA-N 1 2 330.432 0.935 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnn(C)c3CC)C2)C1 ZINC000972447856 736223129 /nfs/dbraw/zinc/22/31/29/736223129.db2.gz UDQOJRSQFKHLRD-GOSISDBHSA-N 1 2 330.432 0.923 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnn(C)c3CC)C2)C1 ZINC000972447856 736223130 /nfs/dbraw/zinc/22/31/30/736223130.db2.gz UDQOJRSQFKHLRD-GOSISDBHSA-N 1 2 330.432 0.923 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCCC(=O)N3)C2)C1 ZINC000972458666 736252261 /nfs/dbraw/zinc/25/22/61/736252261.db2.gz MMQDUMYDCMRLJP-CRAIPNDOSA-N 1 2 333.432 0.372 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCCC(=O)N3)C2)C1 ZINC000972458666 736252264 /nfs/dbraw/zinc/25/22/64/736252264.db2.gz MMQDUMYDCMRLJP-CRAIPNDOSA-N 1 2 333.432 0.372 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(=O)c(OC)c[nH]3)C2)C1 ZINC000972465852 736264978 /nfs/dbraw/zinc/26/49/78/736264978.db2.gz MIYJRWGDEUPBBC-SFHVURJKSA-N 1 2 345.399 0.324 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(=O)c(OC)c[nH]3)C2)C1 ZINC000972465852 736264982 /nfs/dbraw/zinc/26/49/82/736264982.db2.gz MIYJRWGDEUPBBC-SFHVURJKSA-N 1 2 345.399 0.324 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(=O)c(OC)co3)C2)C1 ZINC000972464868 736265280 /nfs/dbraw/zinc/26/52/80/736265280.db2.gz FOMCROOKSZBRBL-SFHVURJKSA-N 1 2 346.383 0.589 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(=O)c(OC)co3)C2)C1 ZINC000972464868 736265283 /nfs/dbraw/zinc/26/52/83/736265283.db2.gz FOMCROOKSZBRBL-SFHVURJKSA-N 1 2 346.383 0.589 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(=O)c(OC)c[nH]3)C2)C1 ZINC000972466737 736267440 /nfs/dbraw/zinc/26/74/40/736267440.db2.gz SPCIOJFQKLCSHA-SFHVURJKSA-N 1 2 347.415 0.877 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(=O)c(OC)c[nH]3)C2)C1 ZINC000972466737 736267444 /nfs/dbraw/zinc/26/74/44/736267444.db2.gz SPCIOJFQKLCSHA-SFHVURJKSA-N 1 2 347.415 0.877 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)C1 ZINC000972477826 736298037 /nfs/dbraw/zinc/29/80/37/736298037.db2.gz BGQLCTFZEZRBIX-IMBTUZDBSA-N 1 2 348.443 0.365 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)C1 ZINC000972477826 736298040 /nfs/dbraw/zinc/29/80/40/736298040.db2.gz BGQLCTFZEZRBIX-IMBTUZDBSA-N 1 2 348.443 0.365 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccn4nnnc4c3)C2)C1 ZINC000972493925 736389429 /nfs/dbraw/zinc/38/94/29/736389429.db2.gz LOBOOWCHRDBEGU-INIZCTEOSA-N 1 2 328.376 0.227 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccn4nnnc4c3)C2)C1 ZINC000972493925 736389434 /nfs/dbraw/zinc/38/94/34/736389434.db2.gz LOBOOWCHRDBEGU-INIZCTEOSA-N 1 2 328.376 0.227 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccn4nnnc4c3)C2)C1 ZINC000972493926 736389610 /nfs/dbraw/zinc/38/96/10/736389610.db2.gz LOBOOWCHRDBEGU-MRXNPFEDSA-N 1 2 328.376 0.227 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccn4nnnc4c3)C2)C1 ZINC000972493926 736389615 /nfs/dbraw/zinc/38/96/15/736389615.db2.gz LOBOOWCHRDBEGU-MRXNPFEDSA-N 1 2 328.376 0.227 20 30 ECEDLO C[NH+](C)[C@@H](C(=O)N1CCC(N(CC#N)CCO)CC1)c1cccnc1 ZINC001098575454 736503159 /nfs/dbraw/zinc/50/31/59/736503159.db2.gz PDNKBPNRMFQXFK-QGZVFWFLSA-N 1 2 345.447 0.493 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cnnn2C)C1 ZINC000972523820 736567896 /nfs/dbraw/zinc/56/78/96/736567896.db2.gz YAVYQJIHOPELIR-KBMXLJTQSA-N 1 2 333.436 0.829 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cnnn2C)C1 ZINC000972523820 736567900 /nfs/dbraw/zinc/56/79/00/736567900.db2.gz YAVYQJIHOPELIR-KBMXLJTQSA-N 1 2 333.436 0.829 20 30 ECEDLO CC#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC000972560797 736777427 /nfs/dbraw/zinc/77/74/27/736777427.db2.gz GFJRMXWTSMICCG-GPMSIDNRSA-N 1 2 342.443 0.850 20 30 ECEDLO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@@H+](Cc2nnnn2C)C1 ZINC001023414807 736799579 /nfs/dbraw/zinc/79/95/79/736799579.db2.gz BLMLKQGMVRRZGJ-CQSZACIVSA-N 1 2 343.435 0.840 20 30 ECEDLO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@H+](Cc2nnnn2C)C1 ZINC001023414807 736799580 /nfs/dbraw/zinc/79/95/80/736799580.db2.gz BLMLKQGMVRRZGJ-CQSZACIVSA-N 1 2 343.435 0.840 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)S(C)(=O)=O)C2)C1 ZINC000972578619 736917650 /nfs/dbraw/zinc/91/76/50/736917650.db2.gz TUHXJYAOINLAGP-MRXNPFEDSA-N 1 2 344.477 0.689 20 30 ECEDLO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)S(C)(=O)=O)C2)C1 ZINC000972578619 736917655 /nfs/dbraw/zinc/91/76/55/736917655.db2.gz TUHXJYAOINLAGP-MRXNPFEDSA-N 1 2 344.477 0.689 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@]3(C2)C[N@H+](CC=C)CCO3)nn1 ZINC000972591026 737006840 /nfs/dbraw/zinc/00/68/40/737006840.db2.gz XLXSBPJFAJEAJO-QGZVFWFLSA-N 1 2 331.420 0.957 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@]3(C2)C[N@@H+](CC=C)CCO3)nn1 ZINC000972591026 737006842 /nfs/dbraw/zinc/00/68/42/737006842.db2.gz XLXSBPJFAJEAJO-QGZVFWFLSA-N 1 2 331.420 0.957 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ncnn3C)C2)c1 ZINC001023582625 737033245 /nfs/dbraw/zinc/03/32/45/737033245.db2.gz MNDAPBDYMXOGDS-OAHLLOKOSA-N 1 2 338.415 0.833 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+](Cc3ncnn3C)C2)c1 ZINC001023582625 737033251 /nfs/dbraw/zinc/03/32/51/737033251.db2.gz MNDAPBDYMXOGDS-OAHLLOKOSA-N 1 2 338.415 0.833 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3nc(C)no3)C2)nn1 ZINC001023637632 737124381 /nfs/dbraw/zinc/12/43/81/737124381.db2.gz QEUOENQPGCZMFW-ZDUSSCGKSA-N 1 2 345.407 0.798 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3nc(C)no3)C2)nn1 ZINC001023637632 737124386 /nfs/dbraw/zinc/12/43/86/737124386.db2.gz QEUOENQPGCZMFW-ZDUSSCGKSA-N 1 2 345.407 0.798 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CC[C@H](C)C3)C2)C1 ZINC000972632445 737172161 /nfs/dbraw/zinc/17/21/61/737172161.db2.gz SGFIOIQXLNVAGP-MAUKXSAKSA-N 1 2 333.432 0.181 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CC[C@H](C)C3)C2)C1 ZINC000972632445 737172163 /nfs/dbraw/zinc/17/21/63/737172163.db2.gz SGFIOIQXLNVAGP-MAUKXSAKSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 ZINC000972635931 737185657 /nfs/dbraw/zinc/18/56/57/737185657.db2.gz VLJZJXBDMUOHJW-SFHVURJKSA-N 1 2 328.416 0.459 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 ZINC000972635931 737185660 /nfs/dbraw/zinc/18/56/60/737185660.db2.gz VLJZJXBDMUOHJW-SFHVURJKSA-N 1 2 328.416 0.459 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CCN(C(N)=O)CC3)C2)C1 ZINC000972667150 737301061 /nfs/dbraw/zinc/30/10/61/737301061.db2.gz KFQQTWPPQCESCX-GOSISDBHSA-N 1 2 348.447 0.104 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CCN(C(N)=O)CC3)C2)C1 ZINC000972667150 737301066 /nfs/dbraw/zinc/30/10/66/737301066.db2.gz KFQQTWPPQCESCX-GOSISDBHSA-N 1 2 348.447 0.104 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCN3C(C)=O)C2)C1 ZINC000972691395 737394476 /nfs/dbraw/zinc/39/44/76/737394476.db2.gz CFFHOOCVZNXTMJ-SJLPKXTDSA-N 1 2 333.432 0.324 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCN3C(C)=O)C2)C1 ZINC000972691395 737394481 /nfs/dbraw/zinc/39/44/81/737394481.db2.gz CFFHOOCVZNXTMJ-SJLPKXTDSA-N 1 2 333.432 0.324 20 30 ECEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC000972722027 737552903 /nfs/dbraw/zinc/55/29/03/737552903.db2.gz ULQVIQVPLNRKLY-SNVBAGLBSA-N 1 2 336.783 0.316 20 30 ECEDLO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC000972722027 737552908 /nfs/dbraw/zinc/55/29/08/737552908.db2.gz ULQVIQVPLNRKLY-SNVBAGLBSA-N 1 2 336.783 0.316 20 30 ECEDLO C#CCOc1ncccc1C(=O)NC[C@@H]1CCCC[N@H+]1CC(N)=O ZINC001024766341 738278599 /nfs/dbraw/zinc/27/85/99/738278599.db2.gz PTIWGKVOBNLILF-ZDUSSCGKSA-N 1 2 330.388 0.163 20 30 ECEDLO C#CCOc1ncccc1C(=O)NC[C@@H]1CCCC[N@@H+]1CC(N)=O ZINC001024766341 738278602 /nfs/dbraw/zinc/27/86/02/738278602.db2.gz PTIWGKVOBNLILF-ZDUSSCGKSA-N 1 2 330.388 0.163 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001024785988 738293376 /nfs/dbraw/zinc/29/33/76/738293376.db2.gz VIZPDQLEHGUTFL-GJZGRUSLSA-N 1 2 343.855 0.957 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001024785988 738293380 /nfs/dbraw/zinc/29/33/80/738293380.db2.gz VIZPDQLEHGUTFL-GJZGRUSLSA-N 1 2 343.855 0.957 20 30 ECEDLO C[C@H](NC(=O)c1ccc(C#N)[nH]1)[C@@H]1CCC[N@H+](Cc2nnnn2C)C1 ZINC001025391564 739367190 /nfs/dbraw/zinc/36/71/90/739367190.db2.gz SVBUYLIHLXSFTI-NWDGAFQWSA-N 1 2 342.407 0.440 20 30 ECEDLO C[C@H](NC(=O)c1ccc(C#N)[nH]1)[C@@H]1CCC[N@@H+](Cc2nnnn2C)C1 ZINC001025391564 739367193 /nfs/dbraw/zinc/36/71/93/739367193.db2.gz SVBUYLIHLXSFTI-NWDGAFQWSA-N 1 2 342.407 0.440 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)nc1 ZINC000973485188 739379779 /nfs/dbraw/zinc/37/97/79/739379779.db2.gz NTQJGLHLRXMIJY-HDJSIYSDSA-N 1 2 337.383 0.714 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccco3)C2)nn1 ZINC001098601957 739690816 /nfs/dbraw/zinc/69/08/16/739690816.db2.gz XWAFYULDUCLPAC-OAHLLOKOSA-N 1 2 343.387 0.698 20 30 ECEDLO C[C@H](C#N)C(=O)N(CCO)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001058663600 740032049 /nfs/dbraw/zinc/03/20/49/740032049.db2.gz XSZIRPFPOMEMKX-LLVKDONJSA-N 1 2 329.360 0.273 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3C(=O)Nc4ccccc43)[C@H]2C1 ZINC001083290415 740381788 /nfs/dbraw/zinc/38/17/88/740381788.db2.gz YKPAZPADXFLLMO-HYVNUMGLSA-N 1 2 339.395 0.657 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3C(=O)Nc4ccccc43)[C@H]2C1 ZINC001083290415 740381794 /nfs/dbraw/zinc/38/17/94/740381794.db2.gz YKPAZPADXFLLMO-HYVNUMGLSA-N 1 2 339.395 0.657 20 30 ECEDLO CN(C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)c1nccnc1C#N ZINC001058691755 740518478 /nfs/dbraw/zinc/51/84/78/740518478.db2.gz FISGYOBNNUTBRW-AWEZNQCLSA-N 1 2 339.403 0.920 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H](C)CNc1ccnc(C#N)n1 ZINC001104851257 740714665 /nfs/dbraw/zinc/71/46/65/740714665.db2.gz PHLHIFPRHUUWGE-VXGBXAGGSA-N 1 2 327.392 0.631 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H](C)CNc1ccnc(C#N)n1 ZINC001104851257 740714668 /nfs/dbraw/zinc/71/46/68/740714668.db2.gz PHLHIFPRHUUWGE-VXGBXAGGSA-N 1 2 327.392 0.631 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(C)C)C2)nn1 ZINC001098615240 741063068 /nfs/dbraw/zinc/06/30/68/741063068.db2.gz NNMQULCRBSXCPB-DZGCQCFKSA-N 1 2 348.451 0.488 20 30 ECEDLO C#CCNC(=O)CC(=O)N1CCC[C@H](C)[C@H]1CNc1cc[nH+]c(C)n1 ZINC001105094745 741345496 /nfs/dbraw/zinc/34/54/96/741345496.db2.gz ZNOWLVHODRCADX-DZGCQCFKSA-N 1 2 343.431 0.964 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccccn3)C2)nn1 ZINC001105132954 741404474 /nfs/dbraw/zinc/40/44/74/741404474.db2.gz HQIAYMHBIKKQTE-UHFFFAOYSA-N 1 2 340.387 0.110 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)C=C(C)C)C2)nn1 ZINC001105142931 741417439 /nfs/dbraw/zinc/41/74/39/741417439.db2.gz XQEAJSHNJSJDOP-ZDUSSCGKSA-N 1 2 346.435 0.408 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)OCC3CC3)C2)nn1 ZINC001105183280 741448842 /nfs/dbraw/zinc/44/88/42/741448842.db2.gz KEHMHLGRVRNJHK-ZDUSSCGKSA-N 1 2 331.420 0.589 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)c3coc(C)c3)C2)nn1 ZINC001105219497 741484047 /nfs/dbraw/zinc/48/40/47/741484047.db2.gz BZDGCBSWXDIPPZ-UHFFFAOYSA-N 1 2 343.387 0.616 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc4cccnc4n3)C2)nn1 ZINC001105243589 741542840 /nfs/dbraw/zinc/54/28/40/741542840.db2.gz DXOFAYHALNWFQG-UHFFFAOYSA-N 1 2 347.382 0.641 20 30 ECEDLO C=C(C)CCC(=O)N1CC(n2cc(C[NH2+]CC(=O)NCC)nn2)C1 ZINC001105252412 741561795 /nfs/dbraw/zinc/56/17/95/741561795.db2.gz PIOZAIXVTVATSF-UHFFFAOYSA-N 1 2 334.424 0.243 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C3(COC)CCCC3)C2)nn1 ZINC001105256660 741571948 /nfs/dbraw/zinc/57/19/48/741571948.db2.gz MSZOXMSENAEVGN-UHFFFAOYSA-N 1 2 345.447 0.981 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3cc(C4CC4)no3)C2)nn1 ZINC001105259577 741580200 /nfs/dbraw/zinc/58/02/00/741580200.db2.gz FEGZLYPBTGMJQJ-UHFFFAOYSA-N 1 2 340.387 0.492 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3cncnc3)C2)nn1 ZINC001105280913 741636416 /nfs/dbraw/zinc/63/64/16/741636416.db2.gz KGJLRMBPVYJRDV-UHFFFAOYSA-N 1 2 339.403 0.197 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(CC)[nH]c(=O)c3)C2)nn1 ZINC001105285130 741644464 /nfs/dbraw/zinc/64/44/64/741644464.db2.gz FMUDDLIMEZGITC-UHFFFAOYSA-N 1 2 340.387 0.361 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](OC)C(C)C)C2)nn1 ZINC001105318544 741763274 /nfs/dbraw/zinc/76/32/74/741763274.db2.gz DSKMYSYSZGEEKR-INIZCTEOSA-N 1 2 349.435 0.072 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CC(n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001105319087 741772127 /nfs/dbraw/zinc/77/21/27/741772127.db2.gz YMDPOCRRVYSUSM-BDJLRTHQSA-N 1 2 334.424 0.227 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H](C[NH2+]Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001026834692 741929640 /nfs/dbraw/zinc/92/96/40/741929640.db2.gz KSBLCVQYKNUBRT-AWEZNQCLSA-N 1 2 339.399 0.374 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C(C)C)n[nH]3)C2)nn1 ZINC001105332875 741989307 /nfs/dbraw/zinc/98/93/07/741989307.db2.gz CRPNTMABPMRFLG-UHFFFAOYSA-N 1 2 341.419 0.935 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C(C)(C)C1 ZINC000974678758 741994785 /nfs/dbraw/zinc/99/47/85/741994785.db2.gz NJCMDJOQWFLMQF-VHSXEESVSA-N 1 2 328.800 0.164 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C(C)(C)C1 ZINC000974678758 741994790 /nfs/dbraw/zinc/99/47/90/741994790.db2.gz NJCMDJOQWFLMQF-VHSXEESVSA-N 1 2 328.800 0.164 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 ZINC000974775992 742175687 /nfs/dbraw/zinc/17/56/87/742175687.db2.gz HUHZTULGTFEJQS-NVXWUHKLSA-N 1 2 340.427 0.825 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cncs3)C2)nn1 ZINC001098623003 742196914 /nfs/dbraw/zinc/19/69/14/742196914.db2.gz VBOGYMUSFNULBA-ZDUSSCGKSA-N 1 2 330.417 0.935 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)nc1 ZINC000997094257 743227678 /nfs/dbraw/zinc/22/76/78/743227678.db2.gz XKKAQGCMQOTZJI-CQSZACIVSA-N 1 2 349.394 0.463 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)cn1 ZINC000997102991 743238853 /nfs/dbraw/zinc/23/88/53/743238853.db2.gz YMJFAKDUDNEVCW-HNNXBMFYSA-N 1 2 349.394 0.847 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cnsn3)C2)C1=O ZINC001006797858 751845177 /nfs/dbraw/zinc/84/51/77/751845177.db2.gz KIUJQEBJGHKWPD-YPMHNXCESA-N 1 2 335.433 0.519 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cnsn3)C2)C1=O ZINC001006797858 751845186 /nfs/dbraw/zinc/84/51/86/751845186.db2.gz KIUJQEBJGHKWPD-YPMHNXCESA-N 1 2 335.433 0.519 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@H]32)[nH]1 ZINC000976366368 743861609 /nfs/dbraw/zinc/86/16/09/743861609.db2.gz FTDKDFRBOKYBFL-VIKVFOODSA-N 1 2 338.371 0.429 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@H]32)[nH]1 ZINC000976366368 743861613 /nfs/dbraw/zinc/86/16/13/743861613.db2.gz FTDKDFRBOKYBFL-VIKVFOODSA-N 1 2 338.371 0.429 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H]1C ZINC001020599631 751883304 /nfs/dbraw/zinc/88/33/04/751883304.db2.gz KDFFJZMXDSRZCT-ATGSNQNLSA-N 1 2 332.404 0.649 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC001020600595 751883924 /nfs/dbraw/zinc/88/39/24/751883924.db2.gz IBYIYBPDCAYYQS-UKMLZYKCSA-N 1 2 346.431 0.659 20 30 ECEDLO C#CC[NH2+][C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)CC[C@@H]1C(F)(F)F ZINC000998297642 744105444 /nfs/dbraw/zinc/10/54/44/744105444.db2.gz VJHGXVNZHNJSTR-VHSXEESVSA-N 1 2 330.310 0.742 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2[nH]c[nH+]c2C)cn1 ZINC000976928904 744501845 /nfs/dbraw/zinc/50/18/45/744501845.db2.gz XVXNEYXSYKHDMK-HWWDLCQESA-N 1 2 349.394 0.524 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2[C@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@H]32)c1 ZINC000977158201 744726503 /nfs/dbraw/zinc/72/65/03/744726503.db2.gz OAXKWKMSPKYJRK-VQFNDLOPSA-N 1 2 349.394 0.605 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2[C@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@H]32)c1 ZINC000977158201 744726505 /nfs/dbraw/zinc/72/65/05/744726505.db2.gz OAXKWKMSPKYJRK-VQFNDLOPSA-N 1 2 349.394 0.605 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3cnon3)C(C)(C)C2)C1=O ZINC000977376221 744902012 /nfs/dbraw/zinc/90/20/12/744902012.db2.gz AJAQUPPGNGSRBS-CHWSQXEVSA-N 1 2 333.392 0.297 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3cnon3)C(C)(C)C2)C1=O ZINC000977376221 744902014 /nfs/dbraw/zinc/90/20/14/744902014.db2.gz AJAQUPPGNGSRBS-CHWSQXEVSA-N 1 2 333.392 0.297 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001000009593 745177805 /nfs/dbraw/zinc/17/78/05/745177805.db2.gz QQEQDVKAEUAEKF-CABCVRRESA-N 1 2 332.404 0.271 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H](n2cc(C[NH2+][C@@H](C)C(=O)NC)nn2)C1 ZINC001098697421 745229251 /nfs/dbraw/zinc/22/92/51/745229251.db2.gz HVUYOTZJFDNYBG-JSGCOSHPSA-N 1 2 348.451 0.488 20 30 ECEDLO CN(C[C@@H]1CCN1C(=O)Cc1c[nH+]c[nH]1)C(=O)c1c[nH]c(C#N)c1 ZINC000977585358 745245409 /nfs/dbraw/zinc/24/54/09/745245409.db2.gz PVJJHBRJDISHQT-AWEZNQCLSA-N 1 2 326.360 0.525 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]1CN(C)C(=O)c1ccc(C#N)[nH]1 ZINC000977609554 745265162 /nfs/dbraw/zinc/26/51/62/745265162.db2.gz YRKYZAYQOQJGPA-ZDUSSCGKSA-N 1 2 340.387 0.834 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H]2COCCN2C(C)=O)C(C)(C)C1 ZINC000977617971 745301130 /nfs/dbraw/zinc/30/11/30/745301130.db2.gz PIYFNOYHYGSNBU-ZIAGYGMSSA-N 1 2 343.855 0.813 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H]2COCCN2C(C)=O)C(C)(C)C1 ZINC000977617971 745301139 /nfs/dbraw/zinc/30/11/39/745301139.db2.gz PIYFNOYHYGSNBU-ZIAGYGMSSA-N 1 2 343.855 0.813 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1nnn(C(C)(C)C)n1 ZINC001029244619 745429306 /nfs/dbraw/zinc/42/93/06/745429306.db2.gz JUYBXYRPYBVFKG-MCIONIFRSA-N 1 2 345.451 0.805 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1nnn(C(C)(C)C)n1 ZINC001029244619 745429310 /nfs/dbraw/zinc/42/93/10/745429310.db2.gz JUYBXYRPYBVFKG-MCIONIFRSA-N 1 2 345.451 0.805 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@@H](Nc2nc(C)cc(C#N)n2)C1 ZINC001059272421 745566644 /nfs/dbraw/zinc/56/66/44/745566644.db2.gz YBUOTQREHOEZNL-HAQNSBGRSA-N 1 2 325.376 0.990 20 30 ECEDLO CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000977912558 745665397 /nfs/dbraw/zinc/66/53/97/745665397.db2.gz ZRLDJLLTEQYNET-CVEARBPZSA-N 1 2 340.427 0.918 20 30 ECEDLO CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000984036373 745723635 /nfs/dbraw/zinc/72/36/35/745723635.db2.gz BAUYLDKHMXCVIQ-ZDUSSCGKSA-N 1 2 340.387 0.915 20 30 ECEDLO N#CCN1CC=C(CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001000998393 745963744 /nfs/dbraw/zinc/96/37/44/745963744.db2.gz DGOYIYWADJVSIN-QGZVFWFLSA-N 1 2 332.448 0.759 20 30 ECEDLO N#CCN1CC=C(CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001000998393 745963747 /nfs/dbraw/zinc/96/37/47/745963747.db2.gz DGOYIYWADJVSIN-QGZVFWFLSA-N 1 2 332.448 0.759 20 30 ECEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@H]2CCNC2=O)CC1 ZINC001001039147 746002391 /nfs/dbraw/zinc/00/23/91/746002391.db2.gz JBYWFMDLNMZJCN-LBPRGKRZSA-N 1 2 342.237 0.779 20 30 ECEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCNC2=O)CC1 ZINC001001039147 746002399 /nfs/dbraw/zinc/00/23/99/746002399.db2.gz JBYWFMDLNMZJCN-LBPRGKRZSA-N 1 2 342.237 0.779 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001059337929 746012162 /nfs/dbraw/zinc/01/21/62/746012162.db2.gz UNCYQHLQAUEXCY-HNNXBMFYSA-N 1 2 334.420 0.831 20 30 ECEDLO N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@H]3CCn4cc[nH+]c4C3)C2)nn1 ZINC001059338959 746019698 /nfs/dbraw/zinc/01/96/98/746019698.db2.gz NIKKOGJNRWRXPF-UBHSHLNASA-N 1 2 337.387 0.866 20 30 ECEDLO CC#CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)[C@H]1CC ZINC001087646280 746142591 /nfs/dbraw/zinc/14/25/91/746142591.db2.gz VQLVKAWKBGUOJU-SOUVJXGZSA-N 1 2 326.462 0.804 20 30 ECEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)[C@H]1CC ZINC001087646280 746142596 /nfs/dbraw/zinc/14/25/96/746142596.db2.gz VQLVKAWKBGUOJU-SOUVJXGZSA-N 1 2 326.462 0.804 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)[C@H]1CC ZINC001087708378 746215300 /nfs/dbraw/zinc/21/53/00/746215300.db2.gz ZWVZBDMDBOUABA-HBNTYKKESA-N 1 2 345.241 0.546 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)[C@H]1CC ZINC001087708378 746215303 /nfs/dbraw/zinc/21/53/03/746215303.db2.gz ZWVZBDMDBOUABA-HBNTYKKESA-N 1 2 345.241 0.546 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NCC2CN(C(=O)CCc3c[nH]c[nH+]3)C2)c1 ZINC001001347460 746295877 /nfs/dbraw/zinc/29/58/77/746295877.db2.gz NEKCUHBFUHHDLG-UHFFFAOYSA-N 1 2 326.360 0.430 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NCC2CN(C(=O)CCc3c[nH+]c[nH]3)C2)c1 ZINC001001347460 746295879 /nfs/dbraw/zinc/29/58/79/746295879.db2.gz NEKCUHBFUHHDLG-UHFFFAOYSA-N 1 2 326.360 0.430 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@]3(F)CCOC3)C2)nn1 ZINC001098705938 746365080 /nfs/dbraw/zinc/36/50/80/746365080.db2.gz NKOQPQFBFPFZJU-GDBMZVCRSA-N 1 2 335.383 0.293 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000978739143 746635512 /nfs/dbraw/zinc/63/55/12/746635512.db2.gz OFWLVSXMINZURG-BJHJDKERSA-N 1 2 340.387 0.785 20 30 ECEDLO C=CCCCC(=O)N1CC[C@@H](n2cc(C[NH2+][C@@H](CC)C(N)=O)nn2)C1 ZINC001098710569 746690274 /nfs/dbraw/zinc/69/02/74/746690274.db2.gz GSMHGWNZXJLAHB-CABCVRRESA-N 1 2 348.451 0.761 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000984705710 746851358 /nfs/dbraw/zinc/85/13/58/746851358.db2.gz KKBBTNNUVXXSAQ-CQSZACIVSA-N 1 2 340.387 0.915 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2CC[NH+](Cc3nnnn3C)CC2)nc1 ZINC001002058441 746936437 /nfs/dbraw/zinc/93/64/37/746936437.db2.gz VEWJYRASHBXKRL-UHFFFAOYSA-N 1 2 339.403 0.228 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nncn4C)C[C@H]32)nc1 ZINC000978992485 747004247 /nfs/dbraw/zinc/00/42/47/747004247.db2.gz OPQSBEYILDFYCG-QKDCVEJESA-N 1 2 336.399 0.299 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nncn4C)C[C@H]32)nc1 ZINC000978992485 747004251 /nfs/dbraw/zinc/00/42/51/747004251.db2.gz OPQSBEYILDFYCG-QKDCVEJESA-N 1 2 336.399 0.299 20 30 ECEDLO N#CCN1CC[C@@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)C[C@@H]2C1 ZINC001088053119 747159638 /nfs/dbraw/zinc/15/96/38/747159638.db2.gz VJAGXNIWZHFTSU-SQNIBIBYSA-N 1 2 346.475 0.791 20 30 ECEDLO N#CCN1CC[C@@H]2CN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)C[C@@H]2C1 ZINC001088053119 747159643 /nfs/dbraw/zinc/15/96/43/747159643.db2.gz VJAGXNIWZHFTSU-SQNIBIBYSA-N 1 2 346.475 0.791 20 30 ECEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2COCCO2)CC1 ZINC001002370231 747260950 /nfs/dbraw/zinc/26/09/50/747260950.db2.gz IZDUORPIBNOCEO-LBPRGKRZSA-N 1 2 333.226 0.891 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)Cc3cccs3)[C@@H](O)C2)C1=O ZINC001083311837 747440276 /nfs/dbraw/zinc/44/02/76/747440276.db2.gz JNIBYOPTTOWFIH-ILXRZTDVSA-N 1 2 349.456 0.239 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)Cc3cccs3)[C@@H](O)C2)C1=O ZINC001083311837 747440278 /nfs/dbraw/zinc/44/02/78/747440278.db2.gz JNIBYOPTTOWFIH-ILXRZTDVSA-N 1 2 349.456 0.239 20 30 ECEDLO CCc1nc(C#N)cc(N[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001058946750 752187709 /nfs/dbraw/zinc/18/77/09/752187709.db2.gz VFCFYQQLVWZAIC-NSHDSACASA-N 1 2 325.376 0.889 20 30 ECEDLO Cc1noc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)n1 ZINC000979291536 747524749 /nfs/dbraw/zinc/52/47/49/747524749.db2.gz KGQUFGVUEHVFOX-HZMBPMFUSA-N 1 2 344.375 0.597 20 30 ECEDLO C#CCC[N@H+]1CC[C@H](OCC2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001088239751 747936687 /nfs/dbraw/zinc/93/66/87/747936687.db2.gz FSOSSOJZFUDPNU-INIZCTEOSA-N 1 2 345.447 0.700 20 30 ECEDLO C#CCC[N@@H+]1CC[C@H](OCC2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001088239751 747936692 /nfs/dbraw/zinc/93/66/92/747936692.db2.gz FSOSSOJZFUDPNU-INIZCTEOSA-N 1 2 345.447 0.700 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000979519246 747981721 /nfs/dbraw/zinc/98/17/21/747981721.db2.gz WNAQQISQZPJQMA-YRWFTTLQSA-N 1 2 348.406 0.749 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)c1 ZINC001007264709 752236513 /nfs/dbraw/zinc/23/65/13/752236513.db2.gz VTMYIHXEYQTURK-UKRRQHHQSA-N 1 2 346.362 0.886 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)c1 ZINC001007264709 752236519 /nfs/dbraw/zinc/23/65/19/752236519.db2.gz VTMYIHXEYQTURK-UKRRQHHQSA-N 1 2 346.362 0.886 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cnnn3CC)C2)C1=O ZINC001007282140 752253517 /nfs/dbraw/zinc/25/35/17/752253517.db2.gz WEGHVTUTNUKHRY-ZIAGYGMSSA-N 1 2 346.435 0.279 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cnnn3CC)C2)C1=O ZINC001007282140 752253522 /nfs/dbraw/zinc/25/35/22/752253522.db2.gz WEGHVTUTNUKHRY-ZIAGYGMSSA-N 1 2 346.435 0.279 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2cn(C)nn2)C1 ZINC001029758157 748270578 /nfs/dbraw/zinc/27/05/78/748270578.db2.gz SMUPSCWUJDZJPU-WBVHZDCISA-N 1 2 344.463 0.193 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001003296950 748391057 /nfs/dbraw/zinc/39/10/57/748391057.db2.gz UFUSPCQQWGUEFH-CZUORRHYSA-N 1 2 348.447 0.222 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001003296950 748391059 /nfs/dbraw/zinc/39/10/59/748391059.db2.gz UFUSPCQQWGUEFH-CZUORRHYSA-N 1 2 348.447 0.222 20 30 ECEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)[C@@H]2CCNC2=O)CC1 ZINC001003428965 748545230 /nfs/dbraw/zinc/54/52/30/748545230.db2.gz PFKBFLJJGWGIRW-MRXNPFEDSA-N 1 2 344.390 0.914 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3[nH]c(C)nc3C)C2)nn1 ZINC001098728573 748550018 /nfs/dbraw/zinc/55/00/18/748550018.db2.gz RPCNDXXSEZYVIW-AWEZNQCLSA-N 1 2 327.392 0.428 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2CN(C(=O)Cc3c[nH+]cn3C)C2)cc1 ZINC001003535962 748656476 /nfs/dbraw/zinc/65/64/76/748656476.db2.gz JHGBEFNKWFTKSQ-UHFFFAOYSA-N 1 2 336.395 0.832 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC([N@@H+](C)Cc3nnnn3C)CC2)c1 ZINC000985637962 748774621 /nfs/dbraw/zinc/77/46/21/748774621.db2.gz QGVLLAMJBWWFJS-UHFFFAOYSA-N 1 2 339.403 0.323 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC([N@H+](C)Cc3nnnn3C)CC2)c1 ZINC000985637962 748774622 /nfs/dbraw/zinc/77/46/22/748774622.db2.gz QGVLLAMJBWWFJS-UHFFFAOYSA-N 1 2 339.403 0.323 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC000980087794 748968377 /nfs/dbraw/zinc/96/83/77/748968377.db2.gz WIQCKQVOHVHCBU-SAZUREKKSA-N 1 2 337.383 0.584 20 30 ECEDLO COCCN(CCNC(=O)[C@@H](C)C#N)c1[nH+]cnc2c1cnn2C ZINC001126261939 749161972 /nfs/dbraw/zinc/16/19/72/749161972.db2.gz VGNDVSMMZGJOAU-NSHDSACASA-N 1 2 331.380 0.092 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccon3)CC2)CC1 ZINC000985825712 749182612 /nfs/dbraw/zinc/18/26/12/749182612.db2.gz NHWZTDWUOMPSGO-UHFFFAOYSA-N 1 2 333.392 0.356 20 30 ECEDLO C#Cc1cncc(C(=O)NCC2CN(C(=O)Cc3c[nH+]cn3C)C2)c1 ZINC001004198907 749305150 /nfs/dbraw/zinc/30/51/50/749305150.db2.gz KUHDLKDSIGMBDZ-UHFFFAOYSA-N 1 2 337.383 0.227 20 30 ECEDLO CCN1CCOC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004475925 749545881 /nfs/dbraw/zinc/54/58/81/749545881.db2.gz AJGFJCPDQCPJRS-DLBZAZTESA-N 1 2 334.464 0.934 20 30 ECEDLO CCN1CCOC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004475925 749545882 /nfs/dbraw/zinc/54/58/82/749545882.db2.gz AJGFJCPDQCPJRS-DLBZAZTESA-N 1 2 334.464 0.934 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cc(C)nn3CC)C2)nn1 ZINC001098741428 749621451 /nfs/dbraw/zinc/62/14/51/749621451.db2.gz ZLDWGIMAKPZQQH-OAHLLOKOSA-N 1 2 341.419 0.613 20 30 ECEDLO C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001004666807 749742786 /nfs/dbraw/zinc/74/27/86/749742786.db2.gz AZURQIXGFZGQCJ-SMDDNHRTSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC000986276647 749744364 /nfs/dbraw/zinc/74/43/64/749744364.db2.gz OFIGPGCWPCEIQM-MJBXVCDLSA-N 1 2 329.404 0.809 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC000986276647 749744370 /nfs/dbraw/zinc/74/43/70/749744370.db2.gz OFIGPGCWPCEIQM-MJBXVCDLSA-N 1 2 329.404 0.809 20 30 ECEDLO C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001004740625 749803770 /nfs/dbraw/zinc/80/37/70/749803770.db2.gz HGHVGSVPEYIYBE-ABAIWWIYSA-N 1 2 340.387 0.819 20 30 ECEDLO Cc1cc(C#N)nc(N(C)CCN(C)C(=O)Cc2c[nH+]cn2C)n1 ZINC001105432232 750056623 /nfs/dbraw/zinc/05/66/23/750056623.db2.gz KNPPAIINSVJLOU-UHFFFAOYSA-N 1 2 327.392 0.528 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3cc(C)nn3C)CC2)C1=O ZINC000980783312 750158274 /nfs/dbraw/zinc/15/82/74/750158274.db2.gz CCKRREDSROHJLC-HNNXBMFYSA-N 1 2 345.447 0.663 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3cc(C)nn3C)CC2)C1=O ZINC000980783312 750158279 /nfs/dbraw/zinc/15/82/79/750158279.db2.gz CCKRREDSROHJLC-HNNXBMFYSA-N 1 2 345.447 0.663 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3n[nH]c(C)c3C)CC2)C1=O ZINC000980866812 750285016 /nfs/dbraw/zinc/28/50/16/750285016.db2.gz GNAAIPABWZTVTD-HNNXBMFYSA-N 1 2 345.447 0.961 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3n[nH]c(C)c3C)CC2)C1=O ZINC000980866812 750285020 /nfs/dbraw/zinc/28/50/20/750285020.db2.gz GNAAIPABWZTVTD-HNNXBMFYSA-N 1 2 345.447 0.961 20 30 ECEDLO C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001005203895 750369688 /nfs/dbraw/zinc/36/96/88/750369688.db2.gz IRBOAHYUGUDGKK-RISCZKNCSA-N 1 2 340.387 0.819 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CC[C@@H]3CCCOC3)C2)nn1 ZINC001105351540 750463534 /nfs/dbraw/zinc/46/35/34/750463534.db2.gz AFLYZIXWPZPBQP-HNNXBMFYSA-N 1 2 345.447 0.981 20 30 ECEDLO Cn1nnc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2F)n1 ZINC001028078101 750553722 /nfs/dbraw/zinc/55/37/22/750553722.db2.gz CIOLVRSOQYCCBK-ZDUSSCGKSA-N 1 2 343.366 0.615 20 30 ECEDLO Cn1nnc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)n1 ZINC001028078101 750553724 /nfs/dbraw/zinc/55/37/24/750553724.db2.gz CIOLVRSOQYCCBK-ZDUSSCGKSA-N 1 2 343.366 0.615 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)c3nocc3C)C2)nn1 ZINC001105356495 750559049 /nfs/dbraw/zinc/55/90/49/750559049.db2.gz VNZGUAWUEBVTAI-UHFFFAOYSA-N 1 2 344.375 0.011 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nc(C)no3)[C@H]2C)nn1 ZINC000987168076 750561612 /nfs/dbraw/zinc/56/16/12/750561612.db2.gz LHRPYSTZGVGIKV-YPMHNXCESA-N 1 2 345.407 0.938 20 30 ECEDLO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001005856367 750734579 /nfs/dbraw/zinc/73/45/79/750734579.db2.gz BDSZYDVMPACABO-NSHDSACASA-N 1 2 340.387 0.819 20 30 ECEDLO CC#CC[N@@H+]1CCCN(C(=O)c2ccc(S(N)(=O)=O)o2)CC1 ZINC000981544505 750779216 /nfs/dbraw/zinc/77/92/16/750779216.db2.gz YIRFNUMGBRWKIJ-UHFFFAOYSA-N 1 2 325.390 0.098 20 30 ECEDLO CC#CC[N@H+]1CCCN(C(=O)c2ccc(S(N)(=O)=O)o2)CC1 ZINC000981544505 750779219 /nfs/dbraw/zinc/77/92/19/750779219.db2.gz YIRFNUMGBRWKIJ-UHFFFAOYSA-N 1 2 325.390 0.098 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC([C@@H](C)NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001005943017 750826425 /nfs/dbraw/zinc/82/64/25/750826425.db2.gz HJURAWIFWUZHGG-SNVBAGLBSA-N 1 2 340.387 0.737 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCC(=O)NCC)C2)nn1 ZINC001098640996 750935042 /nfs/dbraw/zinc/93/50/42/750935042.db2.gz PEBQRYWTAYLOSZ-OAHLLOKOSA-N 1 2 346.435 0.081 20 30 ECEDLO C=CCn1cc(C(=O)N(C)C2CC[NH+](Cc3nonc3C)CC2)nn1 ZINC001006101945 751016944 /nfs/dbraw/zinc/01/69/44/751016944.db2.gz FDMVBLXRJOYMRL-UHFFFAOYSA-N 1 2 345.407 0.892 20 30 ECEDLO C#CCOCCC(=O)NCC[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001059819919 751075056 /nfs/dbraw/zinc/07/50/56/751075056.db2.gz OTDOXJIYRQSCAC-HNNXBMFYSA-N 1 2 346.431 0.737 20 30 ECEDLO C#CCOCCC(=O)NCC[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001059819919 751075061 /nfs/dbraw/zinc/07/50/61/751075061.db2.gz OTDOXJIYRQSCAC-HNNXBMFYSA-N 1 2 346.431 0.737 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3cnc(C)n3C)CC2)C1=O ZINC000981824515 751146215 /nfs/dbraw/zinc/14/62/15/751146215.db2.gz KMYDEBKEDNUXBL-OAHLLOKOSA-N 1 2 345.447 0.663 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3cnc(C)n3C)CC2)C1=O ZINC000981824515 751146218 /nfs/dbraw/zinc/14/62/18/751146218.db2.gz KMYDEBKEDNUXBL-OAHLLOKOSA-N 1 2 345.447 0.663 20 30 ECEDLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CN(C(=O)C#CC2CC2)C1 ZINC001006326028 751247253 /nfs/dbraw/zinc/24/72/53/751247253.db2.gz MNHNVLFKRWNONO-NILFDRSVSA-N 1 2 326.400 0.890 20 30 ECEDLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CN(C(=O)C#CC2CC2)C1 ZINC001006326028 751247256 /nfs/dbraw/zinc/24/72/56/751247256.db2.gz MNHNVLFKRWNONO-NILFDRSVSA-N 1 2 326.400 0.890 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC[N@@H+]([C@@H]3CCC(=O)NC3=O)CC2)c1 ZINC000981923105 751269987 /nfs/dbraw/zinc/26/99/87/751269987.db2.gz JUQAGOYQERUKQS-OAHLLOKOSA-N 1 2 340.383 0.016 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC[N@H+]([C@@H]3CCC(=O)NC3=O)CC2)c1 ZINC000981923105 751269996 /nfs/dbraw/zinc/26/99/96/751269996.db2.gz JUQAGOYQERUKQS-OAHLLOKOSA-N 1 2 340.383 0.016 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c[nH+]c[nH]1 ZINC001006383848 751319720 /nfs/dbraw/zinc/31/97/20/751319720.db2.gz CZJOZHKFRWVUCS-SUJAAXHWSA-N 1 2 344.415 0.791 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1[nH]cc[nH+]1 ZINC001006385075 751321708 /nfs/dbraw/zinc/32/17/08/751321708.db2.gz YYPPGYWKLILLJJ-ZSAUSMIDSA-N 1 2 344.415 0.791 20 30 ECEDLO COCc1noc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000988614103 752379964 /nfs/dbraw/zinc/37/99/64/752379964.db2.gz SRMQJNHLUWYDPN-GWCFXTLKSA-N 1 2 344.375 0.809 20 30 ECEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1OC ZINC001212022398 752412187 /nfs/dbraw/zinc/41/21/87/752412187.db2.gz OTESJFYSGWYBCF-RBSFLKMASA-N 1 2 344.477 0.593 20 30 ECEDLO C=CCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1OC ZINC001212022398 752412192 /nfs/dbraw/zinc/41/21/92/752412192.db2.gz OTESJFYSGWYBCF-RBSFLKMASA-N 1 2 344.477 0.593 20 30 ECEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1OC ZINC001212022260 752413142 /nfs/dbraw/zinc/41/31/42/752413142.db2.gz IUPBMCHJMOXOOT-OWCLPIDISA-N 1 2 335.448 0.921 20 30 ECEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1OC ZINC001212022260 752413149 /nfs/dbraw/zinc/41/31/49/752413149.db2.gz IUPBMCHJMOXOOT-OWCLPIDISA-N 1 2 335.448 0.921 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1OC ZINC001212036281 752425431 /nfs/dbraw/zinc/42/54/31/752425431.db2.gz PUMUDZALMONVGD-VXGBXAGGSA-N 1 2 340.342 0.583 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1OC ZINC001212036281 752425434 /nfs/dbraw/zinc/42/54/34/752425434.db2.gz PUMUDZALMONVGD-VXGBXAGGSA-N 1 2 340.342 0.583 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccnc(OC)c2)C[C@H]1OC ZINC001212032083 752429235 /nfs/dbraw/zinc/42/92/35/752429235.db2.gz JBWKLRSBBXACOP-HUUCEWRRSA-N 1 2 335.404 0.608 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2ccnc(OC)c2)C[C@H]1OC ZINC001212032083 752429242 /nfs/dbraw/zinc/42/92/42/752429242.db2.gz JBWKLRSBBXACOP-HUUCEWRRSA-N 1 2 335.404 0.608 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2cnc(C)cn2)C[C@H]1OC ZINC001212031961 752429338 /nfs/dbraw/zinc/42/93/38/752429338.db2.gz CORMFHSDHVOXSC-FVQBIDKESA-N 1 2 334.420 0.864 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2cnc(C)cn2)C[C@H]1OC ZINC001212031961 752429342 /nfs/dbraw/zinc/42/93/42/752429342.db2.gz CORMFHSDHVOXSC-FVQBIDKESA-N 1 2 334.420 0.864 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3cncn3C)C2)nn1 ZINC001105368227 752468055 /nfs/dbraw/zinc/46/80/55/752468055.db2.gz RQBUNMPEZOFXBY-UHFFFAOYSA-N 1 2 341.419 0.141 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ncccc3OC)C2)nn1 ZINC001105368499 752471579 /nfs/dbraw/zinc/47/15/79/752471579.db2.gz ZMDOVYCZUADXKE-UHFFFAOYSA-N 1 2 340.387 0.492 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccccc2F)[C@H](OC)C1 ZINC001211768688 752686398 /nfs/dbraw/zinc/68/63/98/752686398.db2.gz NEAPTBXEZKCIPQ-DAXOMENPSA-N 1 2 349.406 0.945 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccccc2F)[C@H](OC)C1 ZINC001211768688 752686403 /nfs/dbraw/zinc/68/64/03/752686403.db2.gz NEAPTBXEZKCIPQ-DAXOMENPSA-N 1 2 349.406 0.945 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2C(C)(C)C2(C)C)[C@H](OC)C1 ZINC001212078545 752708851 /nfs/dbraw/zinc/70/88/51/752708851.db2.gz JZQIGVBDWVRJAU-MGPQQGTHSA-N 1 2 349.475 0.622 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2C(C)(C)C2(C)C)[C@H](OC)C1 ZINC001212078545 752708852 /nfs/dbraw/zinc/70/88/52/752708852.db2.gz JZQIGVBDWVRJAU-MGPQQGTHSA-N 1 2 349.475 0.622 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccn(C(F)F)n3)C2)nn1 ZINC001098678949 752765181 /nfs/dbraw/zinc/76/51/81/752765181.db2.gz PWMYTNWTYHDMIP-GFCCVEGCSA-N 1 2 349.345 0.680 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000988773312 752767234 /nfs/dbraw/zinc/76/72/34/752767234.db2.gz DBWHDOJQCWMZQR-WCVJEAGWSA-N 1 2 346.431 0.970 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001007684367 752783837 /nfs/dbraw/zinc/78/38/37/752783837.db2.gz DMTSDVTZIQRJPC-RYUDHWBXSA-N 1 2 339.827 0.879 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001007684367 752783840 /nfs/dbraw/zinc/78/38/40/752783840.db2.gz DMTSDVTZIQRJPC-RYUDHWBXSA-N 1 2 339.827 0.879 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)n2)C[C@H]1OC ZINC001212178430 752846333 /nfs/dbraw/zinc/84/63/33/752846333.db2.gz WLXLJOSPKJZZIT-RKVPGOIHSA-N 1 2 349.431 0.733 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)n2)C[C@H]1OC ZINC001212178430 752846337 /nfs/dbraw/zinc/84/63/37/752846337.db2.gz WLXLJOSPKJZZIT-RKVPGOIHSA-N 1 2 349.431 0.733 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001007819974 752958906 /nfs/dbraw/zinc/95/89/06/752958906.db2.gz YGARZPWEDLSIDM-NSHDSACASA-N 1 2 326.784 0.282 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001007819974 752958909 /nfs/dbraw/zinc/95/89/09/752958909.db2.gz YGARZPWEDLSIDM-NSHDSACASA-N 1 2 326.784 0.282 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cn4ccccc4n3)C2)nn1 ZINC001105369478 752990512 /nfs/dbraw/zinc/99/05/12/752990512.db2.gz DFOOAVNCECNDRI-UHFFFAOYSA-N 1 2 335.371 0.346 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3coc(OC)n3)C2)C1=O ZINC001008070910 753272261 /nfs/dbraw/zinc/27/22/61/753272261.db2.gz RGKCFSZFBJKHLS-JSGCOSHPSA-N 1 2 348.403 0.664 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3coc(OC)n3)C2)C1=O ZINC001008070910 753272266 /nfs/dbraw/zinc/27/22/66/753272266.db2.gz RGKCFSZFBJKHLS-JSGCOSHPSA-N 1 2 348.403 0.664 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC000991620420 762204503 /nfs/dbraw/zinc/20/45/03/762204503.db2.gz XXOPMQGPOCZJFZ-GJZGRUSLSA-N 1 2 348.447 0.643 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](CCS(C)(=O)=O)[C@@H]1C ZINC001088623487 753385051 /nfs/dbraw/zinc/38/50/51/753385051.db2.gz CNVPIEFDYWAIEN-KGLIPLIRSA-N 1 2 339.461 0.911 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](CCS(C)(=O)=O)[C@@H]1C ZINC001088623487 753385055 /nfs/dbraw/zinc/38/50/55/753385055.db2.gz CNVPIEFDYWAIEN-KGLIPLIRSA-N 1 2 339.461 0.911 20 30 ECEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCNC1=O ZINC001008182176 753433788 /nfs/dbraw/zinc/43/37/88/753433788.db2.gz JKTAJCAKCFFUID-IRXDYDNUSA-N 1 2 343.402 0.894 20 30 ECEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCNC1=O ZINC001008182176 753433793 /nfs/dbraw/zinc/43/37/93/753433793.db2.gz JKTAJCAKCFFUID-IRXDYDNUSA-N 1 2 343.402 0.894 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000982738885 753448636 /nfs/dbraw/zinc/44/86/36/753448636.db2.gz HTCZIXUDKVQKKY-JKSUJKDBSA-N 1 2 340.427 0.824 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000982738880 753448800 /nfs/dbraw/zinc/44/88/00/753448800.db2.gz HTCZIXUDKVQKKY-CVEARBPZSA-N 1 2 340.427 0.824 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc4nccnc4c3)C2)nn1 ZINC001105371407 753518371 /nfs/dbraw/zinc/51/83/71/753518371.db2.gz NNRLKEOKURPTKM-UHFFFAOYSA-N 1 2 347.382 0.641 20 30 ECEDLO Cc1c(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)cnn1C ZINC001083342637 753613634 /nfs/dbraw/zinc/61/36/34/753613634.db2.gz JISKGIBTLRALHW-SJORKVTESA-N 1 2 339.399 0.575 20 30 ECEDLO Cc1c(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)cnn1C ZINC001083342637 753613637 /nfs/dbraw/zinc/61/36/37/753613637.db2.gz JISKGIBTLRALHW-SJORKVTESA-N 1 2 339.399 0.575 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](NC(=O)c3ccn[nH]3)[C@@H](O)C2)cc1C#N ZINC001083349867 753636623 /nfs/dbraw/zinc/63/66/23/753636623.db2.gz UVZGDBAMYRSFJJ-CABCVRRESA-N 1 2 341.371 0.265 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3ccn[nH]3)[C@@H](O)C2)cc1C#N ZINC001083349867 753636629 /nfs/dbraw/zinc/63/66/29/753636629.db2.gz UVZGDBAMYRSFJJ-CABCVRRESA-N 1 2 341.371 0.265 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]cc3C)C2)nn1 ZINC001105372446 753677384 /nfs/dbraw/zinc/67/73/84/753677384.db2.gz HMXNSVKMCUMXOG-UHFFFAOYSA-N 1 2 342.403 0.351 20 30 ECEDLO CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001105492084 753729169 /nfs/dbraw/zinc/72/91/69/753729169.db2.gz JVTMGQCJPGARAA-CYBMUJFWSA-N 1 2 339.403 0.702 20 30 ECEDLO CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001105490067 753733271 /nfs/dbraw/zinc/73/32/71/753733271.db2.gz ZMZSIHWCUSDWNC-ZDUSSCGKSA-N 1 2 339.403 0.702 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3cscc3C)[C@@H](O)C2)C1=O ZINC001083393460 753798577 /nfs/dbraw/zinc/79/85/77/753798577.db2.gz XCIUQDHUEBYSAW-ILXRZTDVSA-N 1 2 349.456 0.618 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3cscc3C)[C@@H](O)C2)C1=O ZINC001083393460 753798579 /nfs/dbraw/zinc/79/85/79/753798579.db2.gz XCIUQDHUEBYSAW-ILXRZTDVSA-N 1 2 349.456 0.618 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C(C)=C3CCCC3)[C@@H](O)C2)C1=O ZINC001083400337 753838382 /nfs/dbraw/zinc/83/83/82/753838382.db2.gz JJAPQSHYOHZGNL-ZACQAIPSSA-N 1 2 347.459 0.825 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C(C)=C3CCCC3)[C@@H](O)C2)C1=O ZINC001083400337 753838387 /nfs/dbraw/zinc/83/83/87/753838387.db2.gz JJAPQSHYOHZGNL-ZACQAIPSSA-N 1 2 347.459 0.825 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCN(C)c1ccc(C#N)nn1 ZINC001105577885 753852345 /nfs/dbraw/zinc/85/23/45/753852345.db2.gz ZJLMMANWXVKCFT-LBPRGKRZSA-N 1 2 327.392 0.845 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCN(C)c1ccc(C#N)nn1 ZINC001105577885 753852352 /nfs/dbraw/zinc/85/23/52/753852352.db2.gz ZJLMMANWXVKCFT-LBPRGKRZSA-N 1 2 327.392 0.845 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+](CC(=O)NC3CC3)CC2)cn1 ZINC000989511059 754060889 /nfs/dbraw/zinc/06/08/89/754060889.db2.gz KQWKQWNDSCLWLX-UHFFFAOYSA-N 1 2 326.400 0.489 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@H+](CC(=O)NC3CC3)CC2)cn1 ZINC000989511059 754060892 /nfs/dbraw/zinc/06/08/92/754060892.db2.gz KQWKQWNDSCLWLX-UHFFFAOYSA-N 1 2 326.400 0.489 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)nn1 ZINC001008794082 754125167 /nfs/dbraw/zinc/12/51/67/754125167.db2.gz KUICVGKKRWFKKC-CQSZACIVSA-N 1 2 346.435 0.281 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)nn1 ZINC001008794082 754125170 /nfs/dbraw/zinc/12/51/70/754125170.db2.gz KUICVGKKRWFKKC-CQSZACIVSA-N 1 2 346.435 0.281 20 30 ECEDLO Cc1nnc([C@@H](C)[NH2+]C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)o1 ZINC001051523976 762275472 /nfs/dbraw/zinc/27/54/72/762275472.db2.gz NTRSCGATHMFCGH-MFKMUULPSA-N 1 2 344.375 0.770 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001060002536 754576090 /nfs/dbraw/zinc/57/60/90/754576090.db2.gz WUBGFRZYHCAEIK-MAUKXSAKSA-N 1 2 348.447 0.955 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@H]1C ZINC001088712861 755151398 /nfs/dbraw/zinc/15/13/98/755151398.db2.gz JPBLMPVPTQLIKL-MNOVXSKESA-N 1 2 326.784 0.280 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@H]1C ZINC001088712861 755151401 /nfs/dbraw/zinc/15/14/01/755151401.db2.gz JPBLMPVPTQLIKL-MNOVXSKESA-N 1 2 326.784 0.280 20 30 ECEDLO N#Cc1ccc(NC[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001060038552 755248842 /nfs/dbraw/zinc/24/88/42/755248842.db2.gz CAMAOJJMOVNMOE-ZDUSSCGKSA-N 1 2 325.376 0.895 20 30 ECEDLO C#CCNC(=O)CC(=O)N[C@H]1CCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001105662696 755393672 /nfs/dbraw/zinc/39/36/72/755393672.db2.gz DRYNJRWOXZOGBS-KGLIPLIRSA-N 1 2 329.404 0.621 20 30 ECEDLO C#CCNC(=O)CC(=O)N[C@H]1CCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC001105662694 755394189 /nfs/dbraw/zinc/39/41/89/755394189.db2.gz DRYNJRWOXZOGBS-KBPBESRZSA-N 1 2 329.404 0.621 20 30 ECEDLO C=CCC[N@H+]1C[C@@H](NC(=O)c2coc(S(C)(=O)=O)c2)[C@@H](O)C1 ZINC001083474709 755596319 /nfs/dbraw/zinc/59/63/19/755596319.db2.gz WNQLPYGAWCJKMY-NEPJUHHUSA-N 1 2 328.390 0.034 20 30 ECEDLO C=CCC[N@@H+]1C[C@@H](NC(=O)c2coc(S(C)(=O)=O)c2)[C@@H](O)C1 ZINC001083474709 755596322 /nfs/dbraw/zinc/59/63/22/755596322.db2.gz WNQLPYGAWCJKMY-NEPJUHHUSA-N 1 2 328.390 0.034 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cn3cnnn3)C2)c(F)c1 ZINC001010103417 755652866 /nfs/dbraw/zinc/65/28/66/755652866.db2.gz FDTPXCMCEJTZBV-ZDUSSCGKSA-N 1 2 329.339 0.075 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Cn3cnnn3)C2)c(F)c1 ZINC001010103417 755652871 /nfs/dbraw/zinc/65/28/71/755652871.db2.gz FDTPXCMCEJTZBV-ZDUSSCGKSA-N 1 2 329.339 0.075 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N2CC(NC(=O)c3cc(C#N)c[nH]3)C2)c[nH+]1 ZINC000990720516 755656746 /nfs/dbraw/zinc/65/67/46/755656746.db2.gz BKWLCXPMNOOIFR-UHFFFAOYSA-N 1 2 340.387 0.767 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C3C=CC=CC=C3)[C@@H](O)C2)C1=O ZINC001083497253 755716308 /nfs/dbraw/zinc/71/63/08/755716308.db2.gz MEVOEBHSLCIHQN-IKGGRYGDSA-N 1 2 343.427 0.233 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C3C=CC=CC=C3)[C@@H](O)C2)C1=O ZINC001083497253 755716312 /nfs/dbraw/zinc/71/63/12/755716312.db2.gz MEVOEBHSLCIHQN-IKGGRYGDSA-N 1 2 343.427 0.233 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2coc(Br)c2)[C@@H](O)C1 ZINC001083505176 755767537 /nfs/dbraw/zinc/76/75/37/755767537.db2.gz CKVAICIUQPSBPN-MNOVXSKESA-N 1 2 327.178 0.840 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2coc(Br)c2)[C@@H](O)C1 ZINC001083505176 755767538 /nfs/dbraw/zinc/76/75/38/755767538.db2.gz CKVAICIUQPSBPN-MNOVXSKESA-N 1 2 327.178 0.840 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CO[C@@H](C)CC)C2)nn1 ZINC001098659433 755821583 /nfs/dbraw/zinc/82/15/83/755821583.db2.gz PCMCOTHBQUPOPJ-GOEBONIOSA-N 1 2 333.436 0.980 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[C@@H](n3cc(C[NH2+]CCF)nn3)C2)[nH]1 ZINC001098659780 755855388 /nfs/dbraw/zinc/85/53/88/755855388.db2.gz SYKNHJPXTAAQTK-CYBMUJFWSA-N 1 2 331.355 0.624 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[C@H](n3cc(C[NH2+]CCF)nn3)C2)[nH]1 ZINC001098659781 755855824 /nfs/dbraw/zinc/85/58/24/755855824.db2.gz SYKNHJPXTAAQTK-ZDUSSCGKSA-N 1 2 331.355 0.624 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)ncn2)C[C@@H]1O ZINC001083526371 755922872 /nfs/dbraw/zinc/92/28/72/755922872.db2.gz OUNITKNUUQUEHI-WBVHZDCISA-N 1 2 341.415 0.748 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@@H]1O ZINC001083526371 755922874 /nfs/dbraw/zinc/92/28/74/755922874.db2.gz OUNITKNUUQUEHI-WBVHZDCISA-N 1 2 341.415 0.748 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083539627 756030614 /nfs/dbraw/zinc/03/06/14/756030614.db2.gz JAKCKGVHXNZVBP-XMTFNYHQSA-N 1 2 344.411 0.328 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083539627 756030621 /nfs/dbraw/zinc/03/06/21/756030621.db2.gz JAKCKGVHXNZVBP-XMTFNYHQSA-N 1 2 344.411 0.328 20 30 ECEDLO C[C@@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001060095025 756037840 /nfs/dbraw/zinc/03/78/40/756037840.db2.gz SCFGRYJFJBMKPN-KBPBESRZSA-N 1 2 331.420 0.867 20 30 ECEDLO COc1cncc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001010461292 756155219 /nfs/dbraw/zinc/15/52/19/756155219.db2.gz COWVZZCWPMMCTF-LBPRGKRZSA-N 1 2 326.360 0.689 20 30 ECEDLO COc1cncc(C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001010461292 756155224 /nfs/dbraw/zinc/15/52/24/756155224.db2.gz COWVZZCWPMMCTF-LBPRGKRZSA-N 1 2 326.360 0.689 20 30 ECEDLO Cn1nncc1C(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010828191 756576214 /nfs/dbraw/zinc/57/62/14/756576214.db2.gz GVNYYOZENXLHKM-CYBMUJFWSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1nncc1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010828191 756576217 /nfs/dbraw/zinc/57/62/17/756576217.db2.gz GVNYYOZENXLHKM-CYBMUJFWSA-N 1 2 328.351 0.830 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001010836970 756584378 /nfs/dbraw/zinc/58/43/78/756584378.db2.gz NTAQRELZPJBIIM-CYBMUJFWSA-N 1 2 329.404 0.953 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001010836970 756584382 /nfs/dbraw/zinc/58/43/82/756584382.db2.gz NTAQRELZPJBIIM-CYBMUJFWSA-N 1 2 329.404 0.953 20 30 ECEDLO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001010871770 756622153 /nfs/dbraw/zinc/62/21/53/756622153.db2.gz VQXLJNHICZPKKC-CYBMUJFWSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001010871770 756622158 /nfs/dbraw/zinc/62/21/58/756622158.db2.gz VQXLJNHICZPKKC-CYBMUJFWSA-N 1 2 328.351 0.830 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3ccnn3C)C2)nn1 ZINC001098664498 756685882 /nfs/dbraw/zinc/68/58/82/756685882.db2.gz OPFDCKTUGRIOBB-INIZCTEOSA-N 1 2 341.419 0.141 20 30 ECEDLO N#Cc1cnc(NC[C@@H](O)CNC(=O)CCCn2cc[nH+]c2)c(F)c1 ZINC001105893377 762487350 /nfs/dbraw/zinc/48/73/50/762487350.db2.gz AUUAOEOZQMJHSM-ZDUSSCGKSA-N 1 2 346.366 0.658 20 30 ECEDLO Cc1nsc(NC[C@@H](O)CNC(=O)CCCn2cc[nH+]c2)c1C#N ZINC001105893756 762489772 /nfs/dbraw/zinc/48/97/72/762489772.db2.gz GIVZPHOMGCPYTB-LBPRGKRZSA-N 1 2 348.432 0.889 20 30 ECEDLO CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCN(C(=O)C#CC2CC2)CC1 ZINC001011111139 756941214 /nfs/dbraw/zinc/94/12/14/756941214.db2.gz BIROQLFHZUJQBP-KRWDZBQOSA-N 1 2 347.459 0.572 20 30 ECEDLO CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCN(C(=O)C#CC2CC2)CC1 ZINC001011111139 756941216 /nfs/dbraw/zinc/94/12/16/756941216.db2.gz BIROQLFHZUJQBP-KRWDZBQOSA-N 1 2 347.459 0.572 20 30 ECEDLO Cn1ncnc1C[N@H+]1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C1 ZINC001048772422 756945647 /nfs/dbraw/zinc/94/56/47/756945647.db2.gz YXFYJKLBKMUXNV-TXEJJXNPSA-N 1 2 325.376 0.219 20 30 ECEDLO Cn1ncnc1C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C1 ZINC001048772422 756945650 /nfs/dbraw/zinc/94/56/50/756945650.db2.gz YXFYJKLBKMUXNV-TXEJJXNPSA-N 1 2 325.376 0.219 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001076739343 756946908 /nfs/dbraw/zinc/94/69/08/756946908.db2.gz SWIVHKZXVYFWLV-IMJJTQAJSA-N 1 2 348.447 0.955 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)OCC3CC3)nn2)C1 ZINC001107140956 756950723 /nfs/dbraw/zinc/95/07/23/756950723.db2.gz GKZPTSVWCVANIQ-CYBMUJFWSA-N 1 2 331.420 0.589 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@H+]1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1 ZINC001048778503 756964379 /nfs/dbraw/zinc/96/43/79/756964379.db2.gz ACNVYEISUJQGII-WCFLWFBJSA-N 1 2 340.391 0.175 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1 ZINC001048778503 756964385 /nfs/dbraw/zinc/96/43/85/756964385.db2.gz ACNVYEISUJQGII-WCFLWFBJSA-N 1 2 340.391 0.175 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)Cc3cc(C)on3)nn2)C1 ZINC001107146105 757037476 /nfs/dbraw/zinc/03/74/76/757037476.db2.gz WLEANIZPDAEXRG-UHFFFAOYSA-N 1 2 330.392 0.866 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[C@@H]3COC(=O)C3)nn2)C1 ZINC001107157273 757144265 /nfs/dbraw/zinc/14/42/65/757144265.db2.gz MNBHHWBTMXHZDD-LBPRGKRZSA-N 1 2 333.392 0.280 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001011194003 757169951 /nfs/dbraw/zinc/16/99/51/757169951.db2.gz GFBQBGSNXZUFCV-IMJJTQAJSA-N 1 2 346.431 0.850 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001011194003 757169956 /nfs/dbraw/zinc/16/99/56/757169956.db2.gz GFBQBGSNXZUFCV-IMJJTQAJSA-N 1 2 346.431 0.850 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001011201181 757179781 /nfs/dbraw/zinc/17/97/81/757179781.db2.gz BNNOWDVOIOAPOC-HOCLYGCPSA-N 1 2 332.404 0.604 20 30 ECEDLO CC(C)C#CC(=O)NCc1cn(C2C[NH+](CCOC(C)C)C2)nn1 ZINC001107169638 757207170 /nfs/dbraw/zinc/20/71/70/757207170.db2.gz OTIILMZKHCAAOM-UHFFFAOYSA-N 1 2 333.436 0.835 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)c3ccnn3C)nn2)C1 ZINC001107172711 757223977 /nfs/dbraw/zinc/22/39/77/757223977.db2.gz IIGVUGVQQLSEKZ-LBPRGKRZSA-N 1 2 329.408 0.474 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3nnc(C)[nH]3)C[C@H]2C1 ZINC001048870048 757238068 /nfs/dbraw/zinc/23/80/68/757238068.db2.gz MJYSREJVPAUUBX-XHSDSOJGSA-N 1 2 342.447 0.101 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(Cc3nnc(C)[nH]3)C[C@H]2C1 ZINC001048870048 757238073 /nfs/dbraw/zinc/23/80/73/757238073.db2.gz MJYSREJVPAUUBX-XHSDSOJGSA-N 1 2 342.447 0.101 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCc3ccncn3)nn2)C1 ZINC001107176723 757256022 /nfs/dbraw/zinc/25/60/22/757256022.db2.gz JZIXHWDUDYBSDI-UHFFFAOYSA-N 1 2 341.419 0.750 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)Cc3cn(CC)nn3)nn2)C1 ZINC001107186825 757387762 /nfs/dbraw/zinc/38/77/62/757387762.db2.gz CZRMFAMKYNQOMD-UHFFFAOYSA-N 1 2 344.423 0.181 20 30 ECEDLO O=C(C#CC1CC1)N1CC(NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000996330480 757392226 /nfs/dbraw/zinc/39/22/26/757392226.db2.gz HDQHFKITDKTQLQ-KRWDZBQOSA-N 1 2 345.443 0.228 20 30 ECEDLO O=C(C#CC1CC1)N1CC(NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000996330480 757392237 /nfs/dbraw/zinc/39/22/37/757392237.db2.gz HDQHFKITDKTQLQ-KRWDZBQOSA-N 1 2 345.443 0.228 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O ZINC001048916916 757404109 /nfs/dbraw/zinc/40/41/09/757404109.db2.gz VNKZFIBKUDKAGT-KCXAZCMYSA-N 1 2 344.415 0.032 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O ZINC001048916916 757404114 /nfs/dbraw/zinc/40/41/14/757404114.db2.gz VNKZFIBKUDKAGT-KCXAZCMYSA-N 1 2 344.415 0.032 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCn3nc(C)cc3C)nn2)C1 ZINC001107190155 757428674 /nfs/dbraw/zinc/42/86/74/757428674.db2.gz OHQKYOGFAVMKLI-UHFFFAOYSA-N 1 2 343.435 0.841 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)[C@H]1CCCCO1 ZINC001076885553 757464978 /nfs/dbraw/zinc/46/49/78/757464978.db2.gz DYBGPHMEYYSYJF-KZNAEPCWSA-N 1 2 328.412 0.769 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)[C@H]1CCCCO1 ZINC001076885553 757464985 /nfs/dbraw/zinc/46/49/85/757464985.db2.gz DYBGPHMEYYSYJF-KZNAEPCWSA-N 1 2 328.412 0.769 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CC3CC(OCC)C3)nn2)C1 ZINC001107198703 757573601 /nfs/dbraw/zinc/57/36/01/757573601.db2.gz PYFVNKQZEXJVEZ-UHFFFAOYSA-N 1 2 345.447 0.980 20 30 ECEDLO C=CCCCC(=O)NCc1cn(C2C[NH+](CCOCCO)C2)nn1 ZINC001107199386 757584629 /nfs/dbraw/zinc/58/46/29/757584629.db2.gz ISJZTGAMEGYHQU-UHFFFAOYSA-N 1 2 337.424 0.116 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)c3cncnc3)nn2)C1 ZINC001107199828 757589947 /nfs/dbraw/zinc/58/99/47/757589947.db2.gz PSOCPVJHGFRDCE-CYBMUJFWSA-N 1 2 339.403 0.368 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)CC(C)(F)F)nn2)C1 ZINC001107208218 757675563 /nfs/dbraw/zinc/67/55/63/757675563.db2.gz VCKVBIGKFZCFQR-UHFFFAOYSA-N 1 2 343.378 0.999 20 30 ECEDLO C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001076941948 757691613 /nfs/dbraw/zinc/69/16/13/757691613.db2.gz VUHNRMYJUJZVBA-YOEHRIQHSA-N 1 2 348.447 0.898 20 30 ECEDLO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001049019977 757715665 /nfs/dbraw/zinc/71/56/65/757715665.db2.gz ZRQKOVQZUFYCIY-ILXRZTDVSA-N 1 2 346.431 0.442 20 30 ECEDLO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001049019979 757715899 /nfs/dbraw/zinc/71/58/99/757715899.db2.gz ZRQKOVQZUFYCIY-KKUMJFAQSA-N 1 2 346.431 0.442 20 30 ECEDLO C#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CCS(=O)(=O)CC2)C1 ZINC001021682298 757777794 /nfs/dbraw/zinc/77/77/94/757777794.db2.gz ONUKIXLYPBZONM-JKSUJKDBSA-N 1 2 338.473 0.757 20 30 ECEDLO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CCS(=O)(=O)CC2)C1 ZINC001021682298 757777801 /nfs/dbraw/zinc/77/78/01/757777801.db2.gz ONUKIXLYPBZONM-JKSUJKDBSA-N 1 2 338.473 0.757 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)COC[C@H]3CCOC3)nn2)C1 ZINC001107216001 757796723 /nfs/dbraw/zinc/79/67/23/757796723.db2.gz SCYADQKSJZHFOB-AWEZNQCLSA-N 1 2 349.435 0.380 20 30 ECEDLO O=C(NCC[NH2+]C[C@H](O)COCC(F)(F)F)C(F)C(F)(F)F ZINC001127737495 757843733 /nfs/dbraw/zinc/84/37/33/757843733.db2.gz PXVCHCXBEHQYGV-NKWVEPMBSA-N 1 2 344.227 0.532 20 30 ECEDLO O=C(NCC[NH2+]C[C@H](O)COCC(F)(F)F)[C@@H](F)C(F)(F)F ZINC001127737495 757843742 /nfs/dbraw/zinc/84/37/42/757843742.db2.gz PXVCHCXBEHQYGV-NKWVEPMBSA-N 1 2 344.227 0.532 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCc3ncccn3)nn2)C1 ZINC001107221050 757857365 /nfs/dbraw/zinc/85/73/65/757857365.db2.gz CWVGGRYGAFPGHU-UHFFFAOYSA-N 1 2 341.419 0.750 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCc3cncn3C)nn2)C1 ZINC001107233123 757974212 /nfs/dbraw/zinc/97/42/12/757974212.db2.gz FOFGYKAENKBYAP-UHFFFAOYSA-N 1 2 341.419 0.141 20 30 ECEDLO C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(S(C)(=O)=O)c2)C1 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C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@@H]1O ZINC001048530324 760668560 /nfs/dbraw/zinc/66/85/60/760668560.db2.gz CJEJLWIZWOKKTQ-KBMXLJTQSA-N 1 2 346.431 0.442 20 30 ECEDLO N#Cc1ccc(C(=O)NCC[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)[nH]1 ZINC001060235929 760810464 /nfs/dbraw/zinc/81/04/64/760810464.db2.gz VOSAPHKQXGOZHP-GFCCVEGCSA-N 1 2 340.387 0.821 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)Cn3cc[nH+]c3)C2)c1 ZINC001013050031 761012062 /nfs/dbraw/zinc/01/20/62/761012062.db2.gz OUAVGXUWPFLXME-CJNGLKHVSA-N 1 2 337.383 0.679 20 30 ECEDLO Cn1c[nH+]cc1CN1CCOC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001050878739 761057650 /nfs/dbraw/zinc/05/76/50/761057650.db2.gz YLHHEPLVXBIRBG-OAHLLOKOSA-N 1 2 328.376 0.251 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001048762243 761130529 /nfs/dbraw/zinc/13/05/29/761130529.db2.gz QEHQQRNRTUXCAF-ILXRZTDVSA-N 1 2 348.447 0.975 20 30 ECEDLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1CNc1ccnc(C#N)n1 ZINC001054493883 768015756 /nfs/dbraw/zinc/01/57/56/768015756.db2.gz OQZOTRZGJMVHOQ-ZIAGYGMSSA-N 1 2 339.403 0.563 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCN1c1ncccn1 ZINC001050964567 761234742 /nfs/dbraw/zinc/23/47/42/761234742.db2.gz HGOGEVYORZILGC-HZPDHXFCSA-N 1 2 345.447 0.839 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCN1c1ncccn1 ZINC001050964567 761234746 /nfs/dbraw/zinc/23/47/46/761234746.db2.gz HGOGEVYORZILGC-HZPDHXFCSA-N 1 2 345.447 0.839 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1nc2ncc(C)cn2n1 ZINC001050973897 761256773 /nfs/dbraw/zinc/25/67/73/761256773.db2.gz JWGHEILCUXAASI-ZDUSSCGKSA-N 1 2 330.392 0.439 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1nc2ncc(C)cn2n1 ZINC001050973897 761256778 /nfs/dbraw/zinc/25/67/78/761256778.db2.gz JWGHEILCUXAASI-ZDUSSCGKSA-N 1 2 330.392 0.439 20 30 ECEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)c3ccncn3)CC2)C1 ZINC001105728252 761370047 /nfs/dbraw/zinc/37/00/47/761370047.db2.gz RKYJXFDLGFFYOE-UHFFFAOYSA-N 1 2 346.431 0.985 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1coc2c1C(=O)NCCC2 ZINC001051037133 761373202 /nfs/dbraw/zinc/37/32/02/761373202.db2.gz WLJKRUXJKNKXOM-ZDUSSCGKSA-N 1 2 347.415 0.962 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1coc2c1C(=O)NCCC2 ZINC001051037133 761373213 /nfs/dbraw/zinc/37/32/13/761373213.db2.gz WLJKRUXJKNKXOM-ZDUSSCGKSA-N 1 2 347.415 0.962 20 30 ECEDLO C[C@@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]cc[nH+]1 ZINC001054543782 768036507 /nfs/dbraw/zinc/03/65/07/768036507.db2.gz QYVANWNNQIPWOQ-FQUUOJAGSA-N 1 2 329.404 0.998 20 30 ECEDLO Cc1cc(NC[C@H](O)CNC(=O)CSCC#N)nc(C2CC2)[nH+]1 ZINC001105754959 761533658 /nfs/dbraw/zinc/53/36/58/761533658.db2.gz OAHXPJPHNVXBKU-LBPRGKRZSA-N 1 2 335.433 0.808 20 30 ECEDLO COCc1noc(C[NH2+][C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C)n1 ZINC001054587568 768055449 /nfs/dbraw/zinc/05/54/49/768055449.db2.gz MCHATAHLOPCCCO-GXFFZTMASA-N 1 2 344.375 0.666 20 30 ECEDLO C=CCN1CCOC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001051207404 761689069 /nfs/dbraw/zinc/68/90/69/761689069.db2.gz SHDBVFLQTPMWLW-HNNXBMFYSA-N 1 2 327.388 0.884 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnn(CCOC)c1 ZINC001051228991 761724034 /nfs/dbraw/zinc/72/40/34/761724034.db2.gz SZEKRDWMSXHQNH-INIZCTEOSA-N 1 2 336.436 0.926 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnn(CCOC)c1 ZINC001051228991 761724040 /nfs/dbraw/zinc/72/40/40/761724040.db2.gz SZEKRDWMSXHQNH-INIZCTEOSA-N 1 2 336.436 0.926 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cncc(C(N)=O)c1 ZINC001051248110 761758892 /nfs/dbraw/zinc/75/88/92/761758892.db2.gz WUDKEAQYJQOMQC-OAHLLOKOSA-N 1 2 332.404 0.577 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cncc(C(N)=O)c1 ZINC001051248110 761758896 /nfs/dbraw/zinc/75/88/96/761758896.db2.gz WUDKEAQYJQOMQC-OAHLLOKOSA-N 1 2 332.404 0.577 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001051286627 761826388 /nfs/dbraw/zinc/82/63/88/761826388.db2.gz CAUNFWLSXURLOW-HOTGVXAUSA-N 1 2 346.431 0.666 20 30 ECEDLO C[C@H](NC(=O)CSCC#N)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001051286684 761827634 /nfs/dbraw/zinc/82/76/34/761827634.db2.gz COZGGTNCRPYGGS-UONOGXRCSA-N 1 2 349.460 0.883 20 30 ECEDLO C#Cc1ccc(C(=O)NCc2cccc3c2CC[N@@H+](CC(N)=O)C3)nc1 ZINC001051305544 761857547 /nfs/dbraw/zinc/85/75/47/761857547.db2.gz IRTUEJYDQQLJLH-UHFFFAOYSA-N 1 2 348.406 0.836 20 30 ECEDLO C#Cc1ccc(C(=O)NCc2cccc3c2CC[N@H+](CC(N)=O)C3)nc1 ZINC001051305544 761857555 /nfs/dbraw/zinc/85/75/55/761857555.db2.gz IRTUEJYDQQLJLH-UHFFFAOYSA-N 1 2 348.406 0.836 20 30 ECEDLO Cc1ccc(C#N)c(N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](O)C2)n1 ZINC001051698166 762722490 /nfs/dbraw/zinc/72/24/90/762722490.db2.gz ALGOHEUUKWDEOA-HUUCEWRRSA-N 1 2 340.387 0.214 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(c2ccc(C#N)nc2)C[C@H]1O ZINC001051711329 762762927 /nfs/dbraw/zinc/76/29/27/762762927.db2.gz IIIYSZZRWSOFJA-GDBMZVCRSA-N 1 2 340.387 0.283 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3nc(C)no3)C2)cc1 ZINC001051748378 762866014 /nfs/dbraw/zinc/86/60/14/762866014.db2.gz YFZURKINWCZXFI-MRXNPFEDSA-N 1 2 340.383 0.990 20 30 ECEDLO CN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CC1=O ZINC001014619686 762915509 /nfs/dbraw/zinc/91/55/09/762915509.db2.gz VOQWCGIPGNBXRK-LSDHHAIUSA-N 1 2 344.390 0.866 20 30 ECEDLO CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CC1=O ZINC001014619686 762915514 /nfs/dbraw/zinc/91/55/14/762915514.db2.gz VOQWCGIPGNBXRK-LSDHHAIUSA-N 1 2 344.390 0.866 20 30 ECEDLO N#Cc1nc(NC[C@H](O)CNC(=O)Cc2[nH]cc[nH+]2)sc1Cl ZINC001105937969 762938429 /nfs/dbraw/zinc/93/84/29/762938429.db2.gz UONHTGLZTCHZMB-SSDOTTSWSA-N 1 2 340.796 0.523 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCCNC3=O)C2)c(F)c1 ZINC001014810488 763211322 /nfs/dbraw/zinc/21/13/22/763211322.db2.gz HMNRJAAYIQBQLP-GJZGRUSLSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCCNC3=O)C2)c(F)c1 ZINC001014810488 763211327 /nfs/dbraw/zinc/21/13/27/763211327.db2.gz HMNRJAAYIQBQLP-GJZGRUSLSA-N 1 2 344.390 0.914 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NCC1=CCN(c2ccc(C#N)nn2)CC1 ZINC001127674003 763269735 /nfs/dbraw/zinc/26/97/35/763269735.db2.gz DHNZMHAWZUZJIY-UHFFFAOYSA-N 1 2 337.387 0.875 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nnc(C)o3)C2)nc1 ZINC001051908803 763303772 /nfs/dbraw/zinc/30/37/72/763303772.db2.gz LMUZGBYQCWBSBU-AWEZNQCLSA-N 1 2 341.371 0.385 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@H]3C(N)=O)C2)c(F)c1 ZINC001031899574 763447520 /nfs/dbraw/zinc/44/75/20/763447520.db2.gz QVMWJIKCSGFCCV-HUUCEWRRSA-N 1 2 344.390 0.757 20 30 ECEDLO CN1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)C1=O ZINC001031911459 763529530 /nfs/dbraw/zinc/52/95/30/763529530.db2.gz BAYMGMZLNZXMGD-OAHLLOKOSA-N 1 2 344.390 0.724 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cnn(C)c3)C2)CC1 ZINC001051995969 763544521 /nfs/dbraw/zinc/54/45/21/763544521.db2.gz HVODPDRIEOGOKT-KRWDZBQOSA-N 1 2 329.448 0.204 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(CCn3cccn3)CC2)C1 ZINC001051997674 763548712 /nfs/dbraw/zinc/54/87/12/763548712.db2.gz FQQZLNGDWUVWPY-HZPDHXFCSA-N 1 2 330.436 0.261 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(Cc3ccn(C)n3)CC2)C1 ZINC001051998038 763550223 /nfs/dbraw/zinc/55/02/23/763550223.db2.gz NCZJHBNVYPXFAL-HOCLYGCPSA-N 1 2 330.436 0.298 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(C)ncn3)C2)CC1 ZINC001052016524 763591962 /nfs/dbraw/zinc/59/19/62/763591962.db2.gz XGGPEOJQSYGEHR-MRXNPFEDSA-N 1 2 327.432 0.640 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccnn3CC)C2)CC1 ZINC001052017810 763594417 /nfs/dbraw/zinc/59/44/17/763594417.db2.gz VSBDBQNLSPUHRU-INIZCTEOSA-N 1 2 329.448 0.758 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)CCn3ccnn3)C2)CC1 ZINC001052019467 763600609 /nfs/dbraw/zinc/60/06/09/763600609.db2.gz ZUIZYXNWFZNVLO-MRXNPFEDSA-N 1 2 332.452 0.463 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3ccn(C)n3)C2)CC1 ZINC001052024447 763613265 /nfs/dbraw/zinc/61/32/65/763613265.db2.gz COVQOTIAUVDLBA-KRWDZBQOSA-N 1 2 329.448 0.204 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C2)CC1 ZINC001052040780 763664324 /nfs/dbraw/zinc/66/43/24/763664324.db2.gz KKNXIENZUPYLME-KRWDZBQOSA-N 1 2 342.443 0.241 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc4c[nH]ccc-4n3)C2)CC1 ZINC001052043465 763674995 /nfs/dbraw/zinc/67/49/95/763674995.db2.gz ZBNJBNXYMGXBQW-OAHLLOKOSA-N 1 2 338.415 0.919 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C2)CC1 ZINC001052047801 763692857 /nfs/dbraw/zinc/69/28/57/763692857.db2.gz AQFLOBLHMOTTPQ-JKSUJKDBSA-N 1 2 334.464 0.307 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@H](C)CCC)C[C@H]1OC ZINC001212185358 763697640 /nfs/dbraw/zinc/69/76/40/763697640.db2.gz SWJMMZAAMSVDGA-BZUAXINKSA-N 1 2 337.464 0.910 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N[C@H](C)CCC)C[C@H]1OC ZINC001212185358 763697646 /nfs/dbraw/zinc/69/76/46/763697646.db2.gz SWJMMZAAMSVDGA-BZUAXINKSA-N 1 2 337.464 0.910 20 30 ECEDLO Cn1nc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)cc1Cl ZINC001052049719 763703836 /nfs/dbraw/zinc/70/38/36/763703836.db2.gz OSHBWSRFJBPLEZ-LBPRGKRZSA-N 1 2 336.827 0.429 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001052056232 763727279 /nfs/dbraw/zinc/72/72/79/763727279.db2.gz UZXKDWRXYAWEOW-QKDSSNGWSA-N 1 2 343.471 0.652 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)CCc3nc(C)no3)C2)CC1 ZINC001052059240 763736100 /nfs/dbraw/zinc/73/61/00/763736100.db2.gz FABJQTYMVCHVOE-MRXNPFEDSA-N 1 2 345.447 0.552 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN([C@H](C)C(=O)NC)CC2)C1 ZINC001052062750 763747110 /nfs/dbraw/zinc/74/71/10/763747110.db2.gz NKZCOJWHUOFCIA-CABCVRRESA-N 1 2 336.480 0.552 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H](N2CC[NH+]([C@H](C)C(=O)NC)CC2)C1 ZINC001052062750 763747113 /nfs/dbraw/zinc/74/71/13/763747113.db2.gz NKZCOJWHUOFCIA-CABCVRRESA-N 1 2 336.480 0.552 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)c3cccc(=O)n3C)C2)CC1 ZINC001052081198 763797992 /nfs/dbraw/zinc/79/79/92/763797992.db2.gz KXFSTJDMWHDBSA-INIZCTEOSA-N 1 2 344.459 0.794 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)C[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001124525779 763830550 /nfs/dbraw/zinc/83/05/50/763830550.db2.gz RPKGOXULFYWRRE-HUUCEWRRSA-N 1 2 349.435 0.487 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCCN1C(=O)C#CC1CC1 ZINC001015087702 763856506 /nfs/dbraw/zinc/85/65/06/763856506.db2.gz VTCJEDKKSCYBAL-CJNGLKHVSA-N 1 2 328.416 0.872 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c(C)nn(CC)c3C)C2)CC1 ZINC001052099299 763857104 /nfs/dbraw/zinc/85/71/04/763857104.db2.gz YIHJBSMKYIQGCQ-QGZVFWFLSA-N 1 2 343.475 0.985 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn(C(C)C)nn3)C2)CC1 ZINC001052103091 763868436 /nfs/dbraw/zinc/86/84/36/763868436.db2.gz LOWZWLQHESCHHG-MRXNPFEDSA-N 1 2 344.463 0.714 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccc(OC)n3)C2)CC1 ZINC001052104924 763874552 /nfs/dbraw/zinc/87/45/52/763874552.db2.gz BLTVDQOBXNOWCZ-HNNXBMFYSA-N 1 2 328.416 0.556 20 30 ECEDLO CO[C@@H](C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)C1CCCC1 ZINC001052111950 763906213 /nfs/dbraw/zinc/90/62/13/763906213.db2.gz HXVOJDLYXJKOGN-DLBZAZTESA-N 1 2 334.464 0.934 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)C2)CC1 ZINC001052113536 763913662 /nfs/dbraw/zinc/91/36/62/763913662.db2.gz YLNRKXRWMQEJJN-MSOLQXFVSA-N 1 2 346.475 0.097 20 30 ECEDLO CN(C)c1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)nc1 ZINC001052123370 763948861 /nfs/dbraw/zinc/94/88/61/763948861.db2.gz FZTFJJGMBMLFHQ-MRXNPFEDSA-N 1 2 342.447 0.503 20 30 ECEDLO Cc1cc(C(=O)N(C)[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)[nH]n1 ZINC001047315444 763969021 /nfs/dbraw/zinc/96/90/21/763969021.db2.gz DDRBLVCXUAFFCD-GJZGRUSLSA-N 1 2 345.428 0.969 20 30 ECEDLO Cc1cc(C(=O)N(C)[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)[nH]n1 ZINC001047315444 763969025 /nfs/dbraw/zinc/96/90/25/763969025.db2.gz DDRBLVCXUAFFCD-GJZGRUSLSA-N 1 2 345.428 0.969 20 30 ECEDLO CN(C(=O)C[C@@H]1CCOC1)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047330587 764022703 /nfs/dbraw/zinc/02/27/03/764022703.db2.gz QUTWQJUABDJLIU-FHWLQOOXSA-N 1 2 342.439 0.968 20 30 ECEDLO CN(C(=O)C[C@@H]1CCOC1)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047330587 764022712 /nfs/dbraw/zinc/02/27/12/764022712.db2.gz QUTWQJUABDJLIU-FHWLQOOXSA-N 1 2 342.439 0.968 20 30 ECEDLO N#Cc1c(F)cccc1NC[C@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001106039283 764029023 /nfs/dbraw/zinc/02/90/23/764029023.db2.gz PTTVTTKVEARYQC-LBPRGKRZSA-N 1 2 331.351 0.873 20 30 ECEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)[C@H]1CN(CC#N)C[C@@H]1O ZINC001047383440 764177426 /nfs/dbraw/zinc/17/74/26/764177426.db2.gz BRDUACMAMGPOOZ-WCVJEAGWSA-N 1 2 343.431 0.181 20 30 ECEDLO C#CCOc1ccc(C(=O)NCC2C[NH+](CC(=O)NC3CC3)C2)cc1 ZINC001032033096 764215873 /nfs/dbraw/zinc/21/58/73/764215873.db2.gz OJTAERMHRGWDMG-UHFFFAOYSA-N 1 2 341.411 0.639 20 30 ECEDLO C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001052312640 764229879 /nfs/dbraw/zinc/22/98/79/764229879.db2.gz DHQQBRDTZUCBAD-AAEUAGOBSA-N 1 2 340.387 0.676 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1C(=O)c1c[nH]c(C#N)c1 ZINC001015258590 764259284 /nfs/dbraw/zinc/25/92/84/764259284.db2.gz AHXRPBWXALTGDE-IAQYHMDHSA-N 1 2 340.387 0.961 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2CC(F)(F)F)C1 ZINC001047419090 764287064 /nfs/dbraw/zinc/28/70/64/764287064.db2.gz OKIDUDTYUZMKPY-RYUDHWBXSA-N 1 2 330.310 0.196 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnn2CC(F)(F)F)C1 ZINC001047419090 764287071 /nfs/dbraw/zinc/28/70/71/764287071.db2.gz OKIDUDTYUZMKPY-RYUDHWBXSA-N 1 2 330.310 0.196 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(-c3ccccc3)nn2)C1 ZINC001047438391 764345956 /nfs/dbraw/zinc/34/59/56/764345956.db2.gz HVJQHDBVIFDWEZ-HOTGVXAUSA-N 1 2 325.372 0.018 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(-c3ccccc3)nn2)C1 ZINC001047438391 764345960 /nfs/dbraw/zinc/34/59/60/764345960.db2.gz HVJQHDBVIFDWEZ-HOTGVXAUSA-N 1 2 325.372 0.018 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(-c3ccccn3)n2)C1 ZINC001047442224 764359573 /nfs/dbraw/zinc/35/95/73/764359573.db2.gz UJVUKNSRKWTMHS-HOTGVXAUSA-N 1 2 340.383 0.877 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(-c3ccccn3)n2)C1 ZINC001047442224 764359583 /nfs/dbraw/zinc/35/95/83/764359583.db2.gz UJVUKNSRKWTMHS-HOTGVXAUSA-N 1 2 340.383 0.877 20 30 ECEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001052385246 764385096 /nfs/dbraw/zinc/38/50/96/764385096.db2.gz RPXDRECOEOVLGA-NEPJUHHUSA-N 1 2 340.387 0.676 20 30 ECEDLO C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001052390144 764394183 /nfs/dbraw/zinc/39/41/83/764394183.db2.gz BKVHLESTORIKFS-GXTWGEPZSA-N 1 2 340.387 0.607 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(-c3ncc[nH]3)n2)C1 ZINC001047462933 764417681 /nfs/dbraw/zinc/41/76/81/764417681.db2.gz OVQVJQDKKWZEFU-RYUDHWBXSA-N 1 2 331.401 0.284 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(-c3ncc[nH]3)n2)C1 ZINC001047462933 764417687 /nfs/dbraw/zinc/41/76/87/764417687.db2.gz OVQVJQDKKWZEFU-RYUDHWBXSA-N 1 2 331.401 0.284 20 30 ECEDLO C[C@]1(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)CNC(=O)C1 ZINC001015374224 764468692 /nfs/dbraw/zinc/46/86/92/764468692.db2.gz BEIHOJWHOANCSH-VQIMIIECSA-N 1 2 343.402 0.894 20 30 ECEDLO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)CNC(=O)C1 ZINC001015374224 764468698 /nfs/dbraw/zinc/46/86/98/764468698.db2.gz BEIHOJWHOANCSH-VQIMIIECSA-N 1 2 343.402 0.894 20 30 ECEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001047523051 764584654 /nfs/dbraw/zinc/58/46/54/764584654.db2.gz PNANSKYPDJPTBE-DZKIICNBSA-N 1 2 326.400 0.861 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](C)CCCOC)C2)nn1 ZINC001098769170 764694888 /nfs/dbraw/zinc/69/48/88/764694888.db2.gz ZGYOUJPGDANCGV-GDBMZVCRSA-N 1 2 333.436 0.837 20 30 ECEDLO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001052554017 764746696 /nfs/dbraw/zinc/74/66/96/764746696.db2.gz MXWMVMIZCLUYKL-GDBMZVCRSA-N 1 2 328.416 0.897 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-c3cnn(C)c3)o2)C1 ZINC001047591023 764802118 /nfs/dbraw/zinc/80/21/18/764802118.db2.gz MQGRVZREGNKJLI-GJZGRUSLSA-N 1 2 342.399 0.821 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-c3cnn(C)c3)o2)C1 ZINC001047591023 764802128 /nfs/dbraw/zinc/80/21/28/764802128.db2.gz MQGRVZREGNKJLI-GJZGRUSLSA-N 1 2 342.399 0.821 20 30 ECEDLO CC(=O)N1CC[C@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)C1 ZINC001032155726 764804275 /nfs/dbraw/zinc/80/42/75/764804275.db2.gz GQHXVVVOAJAFQY-SFHVURJKSA-N 1 2 340.427 0.975 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H](C)[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001052591555 764812138 /nfs/dbraw/zinc/81/21/38/764812138.db2.gz CHIWAJGLYQTGMS-LSDHHAIUSA-N 1 2 332.404 0.134 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@H+](Cc3cnc(C)o3)C[C@@H]2O)nc1 ZINC001047601615 764844636 /nfs/dbraw/zinc/84/46/36/764844636.db2.gz CYPBHQKIBKLPLM-IRXDYDNUSA-N 1 2 340.383 0.677 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](Cc3cnc(C)o3)C[C@@H]2O)nc1 ZINC001047601615 764844642 /nfs/dbraw/zinc/84/46/42/764844642.db2.gz CYPBHQKIBKLPLM-IRXDYDNUSA-N 1 2 340.383 0.677 20 30 ECEDLO CN1CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)C1=O ZINC001015565045 764972925 /nfs/dbraw/zinc/97/29/25/764972925.db2.gz XMRZNVGAQYIITI-LSDHHAIUSA-N 1 2 344.390 0.866 20 30 ECEDLO CN1CC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)C1=O ZINC001015565045 764972933 /nfs/dbraw/zinc/97/29/33/764972933.db2.gz XMRZNVGAQYIITI-LSDHHAIUSA-N 1 2 344.390 0.866 20 30 ECEDLO C=CCCn1cc(C(=O)NC2CN(C(=O)CCc3[nH]cc[nH+]3)C2)nn1 ZINC000991980432 765043192 /nfs/dbraw/zinc/04/31/92/765043192.db2.gz XJOLHGTYXYCDOW-UHFFFAOYSA-N 1 2 343.391 0.151 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ncnn3C)CC2)nn1 ZINC001052774892 765098650 /nfs/dbraw/zinc/09/86/50/765098650.db2.gz NARYVEKPOWWJSY-ZDUSSCGKSA-N 1 2 344.423 0.377 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ncnn3C)CC2)nn1 ZINC001052774892 765098658 /nfs/dbraw/zinc/09/86/58/765098658.db2.gz NARYVEKPOWWJSY-ZDUSSCGKSA-N 1 2 344.423 0.377 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000992028673 765208171 /nfs/dbraw/zinc/20/81/71/765208171.db2.gz NMAGGFQIKGPBEH-RCBQFDQVSA-N 1 2 346.431 0.897 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000992028673 765208177 /nfs/dbraw/zinc/20/81/77/765208177.db2.gz NMAGGFQIKGPBEH-RCBQFDQVSA-N 1 2 346.431 0.897 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001015815679 765378739 /nfs/dbraw/zinc/37/87/39/765378739.db2.gz AGKBUMGGKBMEJN-BPUTZDHNSA-N 1 2 333.436 0.877 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001015815679 765378748 /nfs/dbraw/zinc/37/87/48/765378748.db2.gz AGKBUMGGKBMEJN-BPUTZDHNSA-N 1 2 333.436 0.877 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015836776 765410770 /nfs/dbraw/zinc/41/07/70/765410770.db2.gz KGAOHBZKZJQAPR-OAHLLOKOSA-N 1 2 340.383 0.302 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015836776 765410775 /nfs/dbraw/zinc/41/07/75/765410775.db2.gz KGAOHBZKZJQAPR-OAHLLOKOSA-N 1 2 340.383 0.302 20 30 ECEDLO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cnon3)C2)cc1C#N ZINC001015877797 765486979 /nfs/dbraw/zinc/48/69/79/765486979.db2.gz ZZZYAOGAYJGRFI-ZDUSSCGKSA-N 1 2 327.344 0.954 20 30 ECEDLO COc1ccc(C[N@H+]2CC[C@H](NC(=O)c3cnon3)C2)cc1C#N ZINC001015877797 765486983 /nfs/dbraw/zinc/48/69/83/765486983.db2.gz ZZZYAOGAYJGRFI-ZDUSSCGKSA-N 1 2 327.344 0.954 20 30 ECEDLO C#CCCCC(=O)NC[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001053035346 765509834 /nfs/dbraw/zinc/50/98/34/765509834.db2.gz VBQPBHUBSMRLHP-GJZGRUSLSA-N 1 2 330.432 0.977 20 30 ECEDLO C=CCOCC(=O)NC[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001053150733 765659638 /nfs/dbraw/zinc/65/96/38/765659638.db2.gz PNTSLDPPAKDDOY-GJZGRUSLSA-N 1 2 348.447 0.766 20 30 ECEDLO Cn1c[nH+]cc1CN1CC2(C1)CN(C(=O)c1c[nH]c(C#N)c1)CCO2 ZINC001053221471 765782622 /nfs/dbraw/zinc/78/26/22/765782622.db2.gz NIENANVTDSMPIG-UHFFFAOYSA-N 1 2 340.387 0.347 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1CNC(=O)CSCC#N ZINC001053267817 765871701 /nfs/dbraw/zinc/87/17/01/765871701.db2.gz MCEXXFYWYRXPGH-NEPJUHHUSA-N 1 2 335.433 0.420 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CCn1ccccc1=O)CCO2 ZINC001053280335 765894356 /nfs/dbraw/zinc/89/43/56/765894356.db2.gz BMDCYPPJNBGVQH-UHFFFAOYSA-N 1 2 331.416 0.728 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCC3N=NC(=O)N3C1)CCO2 ZINC001053315883 765957124 /nfs/dbraw/zinc/95/71/24/765957124.db2.gz LDBROQIWNJGMSU-CYBMUJFWSA-N 1 2 347.419 0.035 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccoc1CC(N)=O)CCO2 ZINC001053397556 766081445 /nfs/dbraw/zinc/08/14/45/766081445.db2.gz YFUKEQNBHXLACQ-UHFFFAOYSA-N 1 2 333.388 0.410 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2CC(NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC000992269047 766107520 /nfs/dbraw/zinc/10/75/20/766107520.db2.gz WIQCKQVOHVHCBU-UHFFFAOYSA-N 1 2 337.383 0.584 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1nnn(CC)c1CC)CCO2 ZINC001053426920 766114003 /nfs/dbraw/zinc/11/40/03/766114003.db2.gz VKZBGRMIEVJZLK-UHFFFAOYSA-N 1 2 333.436 0.963 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(C[NH+](C[C@H](CC)OC)C2)C1 ZINC001053436824 766131578 /nfs/dbraw/zinc/13/15/78/766131578.db2.gz FYEMOSIJMQJOJR-XHSDSOJGSA-N 1 2 338.448 0.916 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCC[C@@H](C(N)=O)C1)CCO2 ZINC001053452716 766158946 /nfs/dbraw/zinc/15/89/46/766158946.db2.gz CBYPBOSCMUNEAW-CABCVRRESA-N 1 2 335.448 0.767 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCOC2(C[NH+](C[C@H](C)OC)C2)C1 ZINC001053469720 766186328 /nfs/dbraw/zinc/18/63/28/766186328.db2.gz PLZLVCHQDMOMJL-JYJNAYRXSA-N 1 2 338.448 0.916 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001016406629 766243811 /nfs/dbraw/zinc/24/38/11/766243811.db2.gz QDIAVIVRWBEITE-UHFFFAOYSA-N 1 2 326.360 0.571 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)nc2)[C@@H](O)C1 ZINC001083686623 766246951 /nfs/dbraw/zinc/24/69/51/766246951.db2.gz BJWFHWQZXKXZHR-NEPJUHHUSA-N 1 2 327.306 0.899 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)nc2)[C@@H](O)C1 ZINC001083686623 766246953 /nfs/dbraw/zinc/24/69/53/766246953.db2.gz BJWFHWQZXKXZHR-NEPJUHHUSA-N 1 2 327.306 0.899 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cn1nc(C)ccc1=O)CCO2 ZINC001053513906 766267166 /nfs/dbraw/zinc/26/71/66/766267166.db2.gz DUOIBKVQVUHWBK-UHFFFAOYSA-N 1 2 332.404 0.041 20 30 ECEDLO Cn1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)nn1 ZINC001031650001 766344498 /nfs/dbraw/zinc/34/44/98/766344498.db2.gz PTVATYITXDZGJJ-UHFFFAOYSA-N 1 2 328.351 0.688 20 30 ECEDLO CO[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212249230 766368581 /nfs/dbraw/zinc/36/85/81/766368581.db2.gz ZOARKZGRZWQYCR-HUUCEWRRSA-N 1 2 335.448 0.472 20 30 ECEDLO CO[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212249230 766368590 /nfs/dbraw/zinc/36/85/90/766368590.db2.gz ZOARKZGRZWQYCR-HUUCEWRRSA-N 1 2 335.448 0.472 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(CC)C3=O)C[C@@H]2O)cc1 ZINC001083691594 766373405 /nfs/dbraw/zinc/37/34/05/766373405.db2.gz XEOWNHDOIBMWTL-IKGGRYGDSA-N 1 2 341.411 0.064 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(CC)C3=O)C[C@@H]2O)cc1 ZINC001083691594 766373414 /nfs/dbraw/zinc/37/34/14/766373414.db2.gz XEOWNHDOIBMWTL-IKGGRYGDSA-N 1 2 341.411 0.064 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CC(=O)N(CC)C1)O2 ZINC001053606832 766422026 /nfs/dbraw/zinc/42/20/26/766422026.db2.gz ORSSJCRAKXEMAL-HUUCEWRRSA-N 1 2 335.448 0.781 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc3n(n1)CCO3)O2 ZINC001053610447 766429517 /nfs/dbraw/zinc/42/95/17/766429517.db2.gz PWIRTNFXAODTCG-ZDUSSCGKSA-N 1 2 332.404 0.815 20 30 ECEDLO CC#CCN1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCn3c[nH+]cc3C1)O2 ZINC001053618082 766444604 /nfs/dbraw/zinc/44/46/04/766444604.db2.gz OHPALJLMYOYTML-DOTOQJQBSA-N 1 2 342.443 0.818 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(C(N)=O)o1)O2 ZINC001053626449 766469022 /nfs/dbraw/zinc/46/90/22/766469022.db2.gz WOAVBRPORATBFA-LBPRGKRZSA-N 1 2 333.388 0.918 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccnc3n[nH]nc31)O2 ZINC001053630220 766477240 /nfs/dbraw/zinc/47/72/40/766477240.db2.gz HZGAUMCRGARCPP-GFCCVEGCSA-N 1 2 342.403 0.892 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCc3nc(C)nn3C1)O2 ZINC001053638956 766494995 /nfs/dbraw/zinc/49/49/95/766494995.db2.gz DWIRCMXOSSVXES-CABCVRRESA-N 1 2 345.447 0.685 20 30 ECEDLO C#CC[N@@H+]1CC[C@]2(NC(=O)C[C@H]3CCCS(=O)(=O)C3)CCC[C@H]12 ZINC000992408234 766500918 /nfs/dbraw/zinc/50/09/18/766500918.db2.gz STRVRBNCIPEHGK-HLLBOEOZSA-N 1 2 338.473 0.948 20 30 ECEDLO C#CC[N@H+]1CC[C@]2(NC(=O)C[C@H]3CCCS(=O)(=O)C3)CCC[C@H]12 ZINC000992408234 766500924 /nfs/dbraw/zinc/50/09/24/766500924.db2.gz STRVRBNCIPEHGK-HLLBOEOZSA-N 1 2 338.473 0.948 20 30 ECEDLO CCN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C1 ZINC001212253464 766501753 /nfs/dbraw/zinc/50/17/53/766501753.db2.gz FNLRKVJRFXFWEN-HUUCEWRRSA-N 1 2 337.464 0.720 20 30 ECEDLO CCN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C1 ZINC001212253464 766501756 /nfs/dbraw/zinc/50/17/56/766501756.db2.gz FNLRKVJRFXFWEN-HUUCEWRRSA-N 1 2 337.464 0.720 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCC(=O)N1C(C)C)O2 ZINC001053649830 766512319 /nfs/dbraw/zinc/51/23/19/766512319.db2.gz YAXLYDAHIAUROJ-CABCVRRESA-N 1 2 335.448 0.921 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCc3nnn(C)c3C1)O2 ZINC001053651441 766513355 /nfs/dbraw/zinc/51/33/55/766513355.db2.gz CGDHOUNBYCXJMZ-KGLIPLIRSA-N 1 2 345.447 0.456 20 30 ECEDLO N#Cc1sc(NC[C@@H](O)CNC(=O)Cc2c[nH]c[nH+]2)nc1Cl ZINC001106130881 766516634 /nfs/dbraw/zinc/51/66/34/766516634.db2.gz ZDUTYERNDPDNNR-QMMMGPOBSA-N 1 2 340.796 0.523 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCCC(=O)N1)O2 ZINC001053662248 766534973 /nfs/dbraw/zinc/53/49/73/766534973.db2.gz HATHAWKEZUGLHZ-HUUCEWRRSA-N 1 2 335.448 0.971 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@H]1OC ZINC001212255122 766542270 /nfs/dbraw/zinc/54/22/70/766542270.db2.gz DEEWTNREOKNQDY-FVQBIDKESA-N 1 2 335.404 0.645 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@H]1OC ZINC001212255122 766542274 /nfs/dbraw/zinc/54/22/74/766542274.db2.gz DEEWTNREOKNQDY-FVQBIDKESA-N 1 2 335.404 0.645 20 30 ECEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cccn2nnnc12 ZINC001031697574 766544537 /nfs/dbraw/zinc/54/45/37/766544537.db2.gz WWLWJOSBJJWMNH-UHFFFAOYSA-N 1 2 346.394 0.838 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc3n[nH]c(=O)n3c1)O2 ZINC001053675216 766556836 /nfs/dbraw/zinc/55/68/36/766556836.db2.gz IOTPADGSLSXQLA-ZDUSSCGKSA-N 1 2 343.387 0.584 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccnc1C(N)=O)O2 ZINC001053700488 766619314 /nfs/dbraw/zinc/61/93/14/766619314.db2.gz WCJBGYCTRQBFRT-GFCCVEGCSA-N 1 2 330.388 0.330 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCc3nncn3C1)O2 ZINC001053701129 766622124 /nfs/dbraw/zinc/62/21/24/766622124.db2.gz MYOYSRQKFHIOFJ-LSDHHAIUSA-N 1 2 345.447 0.766 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C(N)=O)cs1)O2 ZINC001053702626 766625754 /nfs/dbraw/zinc/62/57/54/766625754.db2.gz ZNVGPFGVLVQXFV-LBPRGKRZSA-N 1 2 335.429 0.996 20 30 ECEDLO CN1C[C@@H](C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)CC1=O ZINC001031709197 766663031 /nfs/dbraw/zinc/66/30/31/766663031.db2.gz LFOBPNYSRWQTLM-INIZCTEOSA-N 1 2 343.402 0.704 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cnc4[nH]ccc4c3)CC2)C1 ZINC001046036697 766728036 /nfs/dbraw/zinc/72/80/36/766728036.db2.gz DZBSVYJKHBKCSW-MRXNPFEDSA-N 1 2 338.415 0.870 20 30 ECEDLO Cn1nccc1[C@@H]1C[C@H]1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046047302 766777881 /nfs/dbraw/zinc/77/78/81/766777881.db2.gz KNROJCXIHQZESI-BZUAXINKSA-N 1 2 342.447 0.266 20 30 ECEDLO COc1cc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)cc(C)n1 ZINC001046059012 766820060 /nfs/dbraw/zinc/82/00/60/766820060.db2.gz XFJAOPYWIRUQSL-MRXNPFEDSA-N 1 2 343.431 0.754 20 30 ECEDLO Cc1cc(=O)[nH]cc1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046063454 766838014 /nfs/dbraw/zinc/83/80/14/766838014.db2.gz ZPLYPKKSTSFNRS-CQSZACIVSA-N 1 2 329.404 0.451 20 30 ECEDLO CCc1ccc(CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)nc1 ZINC001046065287 766849452 /nfs/dbraw/zinc/84/94/52/766849452.db2.gz JYLMXBIQKOTFER-SFHVURJKSA-N 1 2 341.459 0.929 20 30 ECEDLO CCn1nc(C)c(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)c1C ZINC001046069105 766866699 /nfs/dbraw/zinc/86/66/99/766866699.db2.gz BBNAYUCWZBSIKM-MRXNPFEDSA-N 1 2 344.463 0.876 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cccn4ccnc34)CC2)C1 ZINC001046070368 766873510 /nfs/dbraw/zinc/87/35/10/766873510.db2.gz TUDCVVFWPHCTCN-HNNXBMFYSA-N 1 2 338.415 0.690 20 30 ECEDLO C[C@@H](CC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1)N1CCCC1=O ZINC001046077218 766906521 /nfs/dbraw/zinc/90/65/21/766906521.db2.gz SQWXKZWTSLFZIY-HOTGVXAUSA-N 1 2 347.463 0.129 20 30 ECEDLO CCn1cc(CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)cn1 ZINC001046077313 766906724 /nfs/dbraw/zinc/90/67/24/766906724.db2.gz LVFIZFMWEZAJOE-INIZCTEOSA-N 1 2 330.436 0.188 20 30 ECEDLO Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)n1 ZINC001106135706 766910301 /nfs/dbraw/zinc/91/03/01/766910301.db2.gz ZMFGPCRFFBVHLE-IAQYHMDHSA-N 1 2 342.403 0.753 20 30 ECEDLO Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)n1 ZINC001106135706 766910304 /nfs/dbraw/zinc/91/03/04/766910304.db2.gz ZMFGPCRFFBVHLE-IAQYHMDHSA-N 1 2 342.403 0.753 20 30 ECEDLO Cn1cc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)c(Cl)n1 ZINC001046078429 766910563 /nfs/dbraw/zinc/91/05/63/766910563.db2.gz XHPPCEQVVRZSSH-LBPRGKRZSA-N 1 2 336.827 0.429 20 30 ECEDLO Cc1noc(C)c1CC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046081534 766919439 /nfs/dbraw/zinc/91/94/39/766919439.db2.gz HCXMGRISDFWDED-OAHLLOKOSA-N 1 2 331.420 0.576 20 30 ECEDLO Cc1cnn(CCC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)c1 ZINC001046086977 766929651 /nfs/dbraw/zinc/92/96/51/766929651.db2.gz SXNKUEGMKXTPEE-MRXNPFEDSA-N 1 2 330.436 0.324 20 30 ECEDLO CN(C)c1ccc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)nc1 ZINC001046087337 766930007 /nfs/dbraw/zinc/93/00/07/766930007.db2.gz QKZDXRDADNXACE-INIZCTEOSA-N 1 2 342.447 0.503 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)c2c(C)nn(C)c2C)C1=O ZINC001038569732 766938057 /nfs/dbraw/zinc/93/80/57/766938057.db2.gz UWJMPEIARTYEHD-GJZGRUSLSA-N 1 2 345.447 0.628 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)c2c(C)nn(C)c2C)C1=O ZINC001038569732 766938064 /nfs/dbraw/zinc/93/80/64/766938064.db2.gz UWJMPEIARTYEHD-GJZGRUSLSA-N 1 2 345.447 0.628 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3csc(C)n3)C2)nn1 ZINC001098779573 766945077 /nfs/dbraw/zinc/94/50/77/766945077.db2.gz IAPJOZUGLFWIHD-HNNXBMFYSA-N 1 2 344.444 0.782 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1nn3c(c1C)OCCC3)CO2 ZINC001053825599 766950235 /nfs/dbraw/zinc/95/02/35/766950235.db2.gz VGSDJVPFKNGTDV-AWEZNQCLSA-N 1 2 344.415 0.570 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc3n[nH]nc3c1)CO2 ZINC001053830746 766963461 /nfs/dbraw/zinc/96/34/61/766963461.db2.gz KTIBCLMOLFZAIL-GFCCVEGCSA-N 1 2 328.376 0.502 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1cnn3ccccc13)CO2 ZINC001053833173 766970531 /nfs/dbraw/zinc/97/05/31/766970531.db2.gz VTTFNQFTOUTPHU-INIZCTEOSA-N 1 2 338.411 0.860 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc3n(n1)CCCO3)CO2 ZINC001053867764 767079207 /nfs/dbraw/zinc/07/92/07/767079207.db2.gz RQWRNXWDAVWVRY-ZDUSSCGKSA-N 1 2 330.388 0.262 20 30 ECEDLO C=CC[NH+]1CCC2(C[C@H]2NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001016881863 767090674 /nfs/dbraw/zinc/09/06/74/767090674.db2.gz JRWQRJKILJVSFY-CYBMUJFWSA-N 1 2 342.403 0.228 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3nncn3CC1)CO2 ZINC001053874163 767100113 /nfs/dbraw/zinc/10/01/13/767100113.db2.gz SSFRJLSETJKAOT-GJZGRUSLSA-N 1 2 345.447 0.766 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3n[nH]cc32)[C@H](OC)C1 ZINC001212282402 767130447 /nfs/dbraw/zinc/13/04/47/767130447.db2.gz RUHIKEFEMLSRLD-IAOVAPTHSA-N 1 2 346.431 0.295 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3n[nH]cc32)[C@H](OC)C1 ZINC001212282402 767130448 /nfs/dbraw/zinc/13/04/48/767130448.db2.gz RUHIKEFEMLSRLD-IAOVAPTHSA-N 1 2 346.431 0.295 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)[C@H](OC)C1 ZINC001212295231 767179941 /nfs/dbraw/zinc/17/99/41/767179941.db2.gz CFDQNDKOHKNHIK-HZMVEIRTSA-N 1 2 338.448 0.513 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)[C@H](OC)C1 ZINC001212295231 767179945 /nfs/dbraw/zinc/17/99/45/767179945.db2.gz CFDQNDKOHKNHIK-HZMVEIRTSA-N 1 2 338.448 0.513 20 30 ECEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC)C[C@H]1OC ZINC001212324692 767218998 /nfs/dbraw/zinc/21/89/98/767218998.db2.gz BCCUQFNOTLNWKX-ZIAGYGMSSA-N 1 2 325.453 0.882 20 30 ECEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC)C[C@H]1OC ZINC001212324692 767218999 /nfs/dbraw/zinc/21/89/99/767218999.db2.gz BCCUQFNOTLNWKX-ZIAGYGMSSA-N 1 2 325.453 0.882 20 30 ECEDLO Cn1nnc(C[N@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(C(=O)C#CC3CC3)C2)n1 ZINC001089807079 767234535 /nfs/dbraw/zinc/23/45/35/767234535.db2.gz WTYNFBBRHTVCCA-VGWMRTNUSA-N 1 2 340.431 0.292 20 30 ECEDLO Cn1nnc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(C(=O)C#CC3CC3)C2)n1 ZINC001089807079 767234537 /nfs/dbraw/zinc/23/45/37/767234537.db2.gz WTYNFBBRHTVCCA-VGWMRTNUSA-N 1 2 340.431 0.292 20 30 ECEDLO CCCn1nccc1C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001212338508 767258743 /nfs/dbraw/zinc/25/87/43/767258743.db2.gz NYVDJTIRJNJIQS-GDBMZVCRSA-N 1 2 334.420 0.372 20 30 ECEDLO CCCn1nccc1C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001212338508 767258744 /nfs/dbraw/zinc/25/87/44/767258744.db2.gz NYVDJTIRJNJIQS-GDBMZVCRSA-N 1 2 334.420 0.372 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001046504844 767267742 /nfs/dbraw/zinc/26/77/42/767267742.db2.gz APFKHOGJIVMVBJ-WFASDCNBSA-N 1 2 337.811 0.699 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001046504844 767267744 /nfs/dbraw/zinc/26/77/44/767267744.db2.gz APFKHOGJIVMVBJ-WFASDCNBSA-N 1 2 337.811 0.699 20 30 ECEDLO C#CCN1CC2(C1)C[C@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)CO2 ZINC001053904568 767312839 /nfs/dbraw/zinc/31/28/39/767312839.db2.gz PYUABCYDSOEWOR-DOTOQJQBSA-N 1 2 347.459 0.223 20 30 ECEDLO C#CCN1CC2(C1)C[C@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)CO2 ZINC001053904568 767312845 /nfs/dbraw/zinc/31/28/45/767312845.db2.gz PYUABCYDSOEWOR-DOTOQJQBSA-N 1 2 347.459 0.223 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3nnn(C)c3C1)CO2 ZINC001053908726 767330863 /nfs/dbraw/zinc/33/08/63/767330863.db2.gz ZPESYMWPRASYAS-ZIAGYGMSSA-N 1 2 345.447 0.456 20 30 ECEDLO C#Cc1cncc(C(=O)NCC[C@H](C)NC(=O)CCn2cc[nH+]c2)c1 ZINC001078289924 782623546 /nfs/dbraw/zinc/62/35/46/782623546.db2.gz IZJBMOOXFGVTQB-AWEZNQCLSA-N 1 2 339.399 0.974 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccnc(C3CC3)n1)CO2 ZINC001053944069 767417265 /nfs/dbraw/zinc/41/72/65/767417265.db2.gz CERVHQSADWYLOB-CQSZACIVSA-N 1 2 326.400 0.950 20 30 ECEDLO N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cn1 ZINC001106158621 767425967 /nfs/dbraw/zinc/42/59/67/767425967.db2.gz XNZZTBFLGCITHU-BFHYXJOUSA-N 1 2 326.360 0.369 20 30 ECEDLO N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cn1 ZINC001106158621 767425975 /nfs/dbraw/zinc/42/59/75/767425975.db2.gz XNZZTBFLGCITHU-BFHYXJOUSA-N 1 2 326.360 0.369 20 30 ECEDLO N#Cc1cc(C(=O)NCC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)c[nH]1 ZINC001060462917 767463624 /nfs/dbraw/zinc/46/36/24/767463624.db2.gz NGUMMBOXSOVLGT-LBPRGKRZSA-N 1 2 340.387 0.821 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1COC2(C[NH+](CCOC)C2)C1 ZINC001053985180 767533471 /nfs/dbraw/zinc/53/34/71/767533471.db2.gz KUNPWMZOJPIZEH-CQSZACIVSA-N 1 2 345.399 0.313 20 30 ECEDLO C[C@H](C[C@H](C)Nc1ccnc(C#N)n1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001089306693 767543016 /nfs/dbraw/zinc/54/30/16/767543016.db2.gz QXSPWOMSZOGQLR-NWDGAFQWSA-N 1 2 327.392 0.821 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001053993619 767548841 /nfs/dbraw/zinc/54/88/41/767548841.db2.gz QCGRPJLZQGXALQ-RHSMWYFYSA-N 1 2 328.412 0.551 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c(C)nn3cccnc13)CO2 ZINC001054010324 767591666 /nfs/dbraw/zinc/59/16/66/767591666.db2.gz QVMLHWDTLQZQSB-CQSZACIVSA-N 1 2 339.399 0.634 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C1CN(C(C)=O)C1 ZINC001054038890 767638383 /nfs/dbraw/zinc/63/83/83/767638383.db2.gz NQWOMFDHFLJIMQ-GOSISDBHSA-N 1 2 325.412 0.641 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C1CN(C(C)=O)C1 ZINC001054038890 767638387 /nfs/dbraw/zinc/63/83/87/767638387.db2.gz NQWOMFDHFLJIMQ-GOSISDBHSA-N 1 2 325.412 0.641 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCC(=O)N1C ZINC001054048523 767646415 /nfs/dbraw/zinc/64/64/15/767646415.db2.gz DOOZNERTESTUNW-IRXDYDNUSA-N 1 2 325.412 0.784 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCC(=O)N1C ZINC001054048523 767646419 /nfs/dbraw/zinc/64/64/19/767646419.db2.gz DOOZNERTESTUNW-IRXDYDNUSA-N 1 2 325.412 0.784 20 30 ECEDLO CN(CCOCCNc1ccc(C#N)nn1)C(=O)Cc1[nH]cc[nH+]1 ZINC001127358039 768470433 /nfs/dbraw/zinc/47/04/33/768470433.db2.gz SCPLBJMEBCLOSB-UHFFFAOYSA-N 1 2 329.364 0.201 20 30 ECEDLO C[C@H]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cn1cc[nH+]c1 ZINC001018091519 768710816 /nfs/dbraw/zinc/71/08/16/768710816.db2.gz HQPRRDFHRJHNDG-JSGCOSHPSA-N 1 2 340.387 0.892 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2ncc[nH]2)C1=O ZINC001018102574 768729815 /nfs/dbraw/zinc/72/98/15/768729815.db2.gz NKFHWOMFRGSCMQ-QLFBSQMISA-N 1 2 343.431 0.414 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2ncc[nH]2)C1=O ZINC001018102574 768729824 /nfs/dbraw/zinc/72/98/24/768729824.db2.gz NKFHWOMFRGSCMQ-QLFBSQMISA-N 1 2 343.431 0.414 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC001055379670 768836771 /nfs/dbraw/zinc/83/67/71/768836771.db2.gz PEVZEQDAWSGPRW-SOUVJXGZSA-N 1 2 346.431 0.471 20 30 ECEDLO C#CCCCC(=O)NC1CC[NH+](CCNC(=O)c2cnns2)CC1 ZINC001055531892 769027493 /nfs/dbraw/zinc/02/74/93/769027493.db2.gz SSFFOBPWPLSUFR-UHFFFAOYSA-N 1 2 349.460 0.652 20 30 ECEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@H]1C ZINC000993495574 769174215 /nfs/dbraw/zinc/17/42/15/769174215.db2.gz VQWDOOPDNIMYKI-TZMCWYRMSA-N 1 2 326.462 0.966 20 30 ECEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@H]1C ZINC000993495574 769174220 /nfs/dbraw/zinc/17/42/20/769174220.db2.gz VQWDOOPDNIMYKI-TZMCWYRMSA-N 1 2 326.462 0.966 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H]1C ZINC000993574648 769278556 /nfs/dbraw/zinc/27/85/56/769278556.db2.gz VKNHMCANBJFRDB-RYUDHWBXSA-N 1 2 340.811 0.671 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H]1C ZINC000993574648 769278563 /nfs/dbraw/zinc/27/85/63/769278563.db2.gz VKNHMCANBJFRDB-RYUDHWBXSA-N 1 2 340.811 0.671 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC1CCC(Nc2ccnc(C#N)n2)CC1 ZINC001060599646 769291877 /nfs/dbraw/zinc/29/18/77/769291877.db2.gz NBLSZUYGJSYBJU-UHFFFAOYSA-N 1 2 339.403 0.884 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NCC[NH+]1CCC(NC(=O)c2ncn[nH]2)CC1 ZINC001055636394 769316891 /nfs/dbraw/zinc/31/68/91/769316891.db2.gz SVFICFDSMOCZIO-QGZVFWFLSA-N 1 2 348.451 0.717 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NCC[NH+]1CCC(NC(=O)c2nc[nH]n2)CC1 ZINC001055636394 769316901 /nfs/dbraw/zinc/31/69/01/769316901.db2.gz SVFICFDSMOCZIO-QGZVFWFLSA-N 1 2 348.451 0.717 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)C(F)F ZINC000993601499 769346157 /nfs/dbraw/zinc/34/61/57/769346157.db2.gz IXZWKIWXVXLTBP-VXGBXAGGSA-N 1 2 336.342 0.509 20 30 ECEDLO COCc1noc([C@@H](C)[NH2+][C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001018731284 769820004 /nfs/dbraw/zinc/82/00/04/769820004.db2.gz TZXFWYVBKYZGEB-PWSUYJOCSA-N 1 2 344.375 0.981 20 30 ECEDLO C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001055823641 769857104 /nfs/dbraw/zinc/85/71/04/769857104.db2.gz HKLWGMCHCROYNH-QGZVFWFLSA-N 1 2 334.420 0.697 20 30 ECEDLO C=CCC[N@H+]1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H]1C ZINC000994005986 769996080 /nfs/dbraw/zinc/99/60/80/769996080.db2.gz JBNJWDSSIVUBCU-JSGCOSHPSA-N 1 2 344.419 0.616 20 30 ECEDLO C=CCC[N@@H+]1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H]1C ZINC000994005986 769996086 /nfs/dbraw/zinc/99/60/86/769996086.db2.gz JBNJWDSSIVUBCU-JSGCOSHPSA-N 1 2 344.419 0.616 20 30 ECEDLO C#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001055911272 770183114 /nfs/dbraw/zinc/18/31/14/770183114.db2.gz YBFAWYCMCIKLLM-SFHVURJKSA-N 1 2 346.431 0.616 20 30 ECEDLO N#Cc1cncc(N2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)CC2)n1 ZINC001055940509 770299466 /nfs/dbraw/zinc/29/94/66/770299466.db2.gz NZILNZKNRQGYAG-ZDUSSCGKSA-N 1 2 337.387 0.456 20 30 ECEDLO C#CCOCCC(=O)N(CC)CCNc1ncnc2c1C[N@H+](C)CC2 ZINC001106852440 770340770 /nfs/dbraw/zinc/34/07/70/770340770.db2.gz FGIMERWSFKVYAQ-UHFFFAOYSA-N 1 2 345.447 0.765 20 30 ECEDLO C#CCOCCC(=O)N(CC)CCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106852440 770340780 /nfs/dbraw/zinc/34/07/80/770340780.db2.gz FGIMERWSFKVYAQ-UHFFFAOYSA-N 1 2 345.447 0.765 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](C)C3CCOCC3)C2)nn1 ZINC001098797269 770401745 /nfs/dbraw/zinc/40/17/45/770401745.db2.gz QKYSHTVNNZOQOZ-YOEHRIQHSA-N 1 2 345.447 0.837 20 30 ECEDLO C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001055986873 770458103 /nfs/dbraw/zinc/45/81/03/770458103.db2.gz JKPRAFIESFDSGZ-QGZVFWFLSA-N 1 2 334.420 0.778 20 30 ECEDLO C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001055986873 770458105 /nfs/dbraw/zinc/45/81/05/770458105.db2.gz JKPRAFIESFDSGZ-QGZVFWFLSA-N 1 2 334.420 0.778 20 30 ECEDLO C[C@H](CC(=O)N1CCN(c2cncc(C#N)n2)CC1)n1cc[nH+]c1 ZINC001056039284 770646459 /nfs/dbraw/zinc/64/64/59/770646459.db2.gz KJEFEJTUPCKQQE-CYBMUJFWSA-N 1 2 325.376 0.845 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001019057692 770682984 /nfs/dbraw/zinc/68/29/84/770682984.db2.gz BLHXFHZQHFZLPO-CHWSQXEVSA-N 1 2 329.404 0.809 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001019057692 770682991 /nfs/dbraw/zinc/68/29/91/770682991.db2.gz BLHXFHZQHFZLPO-CHWSQXEVSA-N 1 2 329.404 0.809 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCC[C@@](CO)(NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001056079677 770776355 /nfs/dbraw/zinc/77/63/55/770776355.db2.gz GDYPXOGBVRSALK-GOSISDBHSA-N 1 2 346.431 0.778 20 30 ECEDLO CC(C)(C)C#CC(=O)N1CCC[C@](CO)(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001056080342 770779577 /nfs/dbraw/zinc/77/95/77/770779577.db2.gz SBACCDKSABNUSP-SFHVURJKSA-N 1 2 346.431 0.471 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccncc2C)[C@H](OC)C1 ZINC001212219073 770799131 /nfs/dbraw/zinc/79/91/31/770799131.db2.gz XIBSYTLPSWDXOH-NUEKZKHPSA-N 1 2 346.431 0.510 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccncc2C)[C@H](OC)C1 ZINC001212219073 770799139 /nfs/dbraw/zinc/79/91/39/770799139.db2.gz XIBSYTLPSWDXOH-NUEKZKHPSA-N 1 2 346.431 0.510 20 30 ECEDLO C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001056097644 770818372 /nfs/dbraw/zinc/81/83/72/770818372.db2.gz SSJZOSAOYNIUMF-PXAZEXFGSA-N 1 2 347.419 0.317 20 30 ECEDLO N#CCSCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC001056246011 771034056 /nfs/dbraw/zinc/03/40/56/771034056.db2.gz DAHKIMAVOCFADF-ZIAGYGMSSA-N 1 2 347.444 0.732 20 30 ECEDLO N#Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cn1 ZINC001056329794 771135353 /nfs/dbraw/zinc/13/53/53/771135353.db2.gz CEYGSBIBBBSJIA-ANRZDRKOSA-N 1 2 348.410 0.963 20 30 ECEDLO N#Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCc3c[nH+]cn3C2)cn1 ZINC001056333526 771139681 /nfs/dbraw/zinc/13/96/81/771139681.db2.gz MGMSCKQKVFAPFG-DUOKCRBOSA-N 1 2 348.410 0.963 20 30 ECEDLO COc1ccc(CN2CC(NC(=O)Cn3cc[nH+]c3)C2)cc1C#N ZINC001031476273 771142531 /nfs/dbraw/zinc/14/25/31/771142531.db2.gz FLFLPCQAJMUHFH-UHFFFAOYSA-N 1 2 325.372 0.764 20 30 ECEDLO C#Cc1cccc(NC(=O)CN2CC(NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001031476546 771143436 /nfs/dbraw/zinc/14/34/36/771143436.db2.gz UJONJVHBWGYQCY-UHFFFAOYSA-N 1 2 337.383 0.304 20 30 ECEDLO N#Cc1nccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cccc3[nH+]ccn32)n1 ZINC001056345130 771152582 /nfs/dbraw/zinc/15/25/82/771152582.db2.gz YFWIKPFDSNMDHM-PBKGOJFUSA-N 1 2 345.366 0.861 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001019366396 771210671 /nfs/dbraw/zinc/21/06/71/771210671.db2.gz CDBNJYYOJBLYKC-BFHYXJOUSA-N 1 2 341.415 0.744 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)[C@@H]2C1 ZINC001042187536 782908594 /nfs/dbraw/zinc/90/85/94/782908594.db2.gz NELHYOUTPOXLIQ-QWHCGFSZSA-N 1 2 333.436 0.743 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)[C@@H]2C1 ZINC001042187536 782908599 /nfs/dbraw/zinc/90/85/99/782908599.db2.gz NELHYOUTPOXLIQ-QWHCGFSZSA-N 1 2 333.436 0.743 20 30 ECEDLO N#Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)c[nH]1 ZINC000994599843 771261444 /nfs/dbraw/zinc/26/14/44/771261444.db2.gz GZKBSZLSCOCTJI-LLVKDONJSA-N 1 2 338.371 0.286 20 30 ECEDLO N#Cc1cnc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cn1 ZINC001056463760 771299884 /nfs/dbraw/zinc/29/98/84/771299884.db2.gz KSVRJGVAYHIRFD-MXOJCPGVSA-N 1 2 335.371 0.426 20 30 ECEDLO N#Cc1cnc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cn1 ZINC001056463760 771299888 /nfs/dbraw/zinc/29/98/88/771299888.db2.gz KSVRJGVAYHIRFD-MXOJCPGVSA-N 1 2 335.371 0.426 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001019488164 771352005 /nfs/dbraw/zinc/35/20/05/771352005.db2.gz TZLWBAWAHWTIJX-YDHLFZDLSA-N 1 2 349.435 0.170 20 30 ECEDLO CN(CCOCCNc1nccnc1C#N)C(=O)Cc1c[nH+]c[nH]1 ZINC001127505209 771377499 /nfs/dbraw/zinc/37/74/99/771377499.db2.gz MCMUQHICCKCRNZ-UHFFFAOYSA-N 1 2 329.364 0.201 20 30 ECEDLO N#Cc1nccnc1N1CCCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001089558704 771483745 /nfs/dbraw/zinc/48/37/45/771483745.db2.gz ULHCOFBAXNUOMF-ZDUSSCGKSA-N 1 2 341.375 0.026 20 30 ECEDLO CO[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212244248 771502197 /nfs/dbraw/zinc/50/21/97/771502197.db2.gz LTRWDXDYNLZHRX-IAGOWNOFSA-N 1 2 342.443 0.876 20 30 ECEDLO CO[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212244248 771502203 /nfs/dbraw/zinc/50/22/03/771502203.db2.gz LTRWDXDYNLZHRX-IAGOWNOFSA-N 1 2 342.443 0.876 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H](n2cc(C[NH2+]Cc3cnn(C)c3)nn2)C1 ZINC001089580219 771565312 /nfs/dbraw/zinc/56/53/12/771565312.db2.gz OGCVATVJKZFWFE-DOMZBBRYSA-N 1 2 342.407 0.234 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@@H+](Cc4nc(=O)n(C)[nH]4)[C@H]3C2)C1 ZINC001042228490 782960755 /nfs/dbraw/zinc/96/07/55/782960755.db2.gz UUULRPNMKNFDNP-KBPBESRZSA-N 1 2 345.447 0.888 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@H+](Cc4nc(=O)n(C)[nH]4)[C@H]3C2)C1 ZINC001042228490 782960757 /nfs/dbraw/zinc/96/07/57/782960757.db2.gz UUULRPNMKNFDNP-KBPBESRZSA-N 1 2 345.447 0.888 20 30 ECEDLO Cc1cc(C#N)nc(N(C)[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)n1 ZINC001056998284 771926056 /nfs/dbraw/zinc/92/60/56/771926056.db2.gz UMZZNICUTMNJIZ-OAHLLOKOSA-N 1 2 339.403 0.981 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2OCCN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C1 ZINC001019881239 771952742 /nfs/dbraw/zinc/95/27/42/771952742.db2.gz AJKCZJJKIWTVHP-LSDHHAIUSA-N 1 2 342.399 0.194 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](N(C)c2nccnc2C#N)C1 ZINC001057047058 771992736 /nfs/dbraw/zinc/99/27/36/771992736.db2.gz NRRFBYSJWQQRDW-GXTWGEPZSA-N 1 2 339.403 0.987 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](N(C)c2nccnc2C#N)C1 ZINC001057047058 771992739 /nfs/dbraw/zinc/99/27/39/771992739.db2.gz NRRFBYSJWQQRDW-GXTWGEPZSA-N 1 2 339.403 0.987 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CCN1C(=O)C#CC1CC1 ZINC001020250529 772350458 /nfs/dbraw/zinc/35/04/58/772350458.db2.gz OFSRGRDXNDDWHE-BPUTZDHNSA-N 1 2 340.427 0.965 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCN1C(=O)C#CC1CC1 ZINC001020250670 772351000 /nfs/dbraw/zinc/35/10/00/772351000.db2.gz XRGZQIZTAZOFFM-LXZKKBNFSA-N 1 2 340.427 0.965 20 30 ECEDLO C#CCCCCC(=O)N(CCO)CCNC(=O)CCc1c[nH+]cn1C ZINC001057388383 772555758 /nfs/dbraw/zinc/55/57/58/772555758.db2.gz PBKLMLXDLHZCBP-UHFFFAOYSA-N 1 2 348.447 0.483 20 30 ECEDLO C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001057444968 772621512 /nfs/dbraw/zinc/62/15/12/772621512.db2.gz AVIANRJZWQKUEP-ZIAGYGMSSA-N 1 2 332.404 0.254 20 30 ECEDLO C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001057444968 772621513 /nfs/dbraw/zinc/62/15/13/772621513.db2.gz AVIANRJZWQKUEP-ZIAGYGMSSA-N 1 2 332.404 0.254 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC(CNc2ccc(C#N)nn2)CC1 ZINC001057506088 772695750 /nfs/dbraw/zinc/69/57/50/772695750.db2.gz MIAFHKHZSSQHQP-UHFFFAOYSA-N 1 2 339.403 0.975 20 30 ECEDLO CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001057524475 772716754 /nfs/dbraw/zinc/71/67/54/772716754.db2.gz HAICWTNCNMWVTM-OAHLLOKOSA-N 1 2 346.431 0.042 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCN(CCO)C(=O)C#CC(C)(C)C ZINC001057540704 772736311 /nfs/dbraw/zinc/73/63/11/772736311.db2.gz BUZGXKCJVXNVLO-AWEZNQCLSA-N 1 2 348.447 0.575 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCN(CCO)C(=O)C#CC(C)(C)C ZINC001057540704 772736316 /nfs/dbraw/zinc/73/63/16/772736316.db2.gz BUZGXKCJVXNVLO-AWEZNQCLSA-N 1 2 348.447 0.575 20 30 ECEDLO Cc1cc(C#N)nc(N[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC001057660178 772877919 /nfs/dbraw/zinc/87/79/19/772877919.db2.gz KLSHHCXWBPSUNO-CYBMUJFWSA-N 1 2 325.376 0.956 20 30 ECEDLO CC#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001057971107 773310967 /nfs/dbraw/zinc/31/09/67/773310967.db2.gz UMBSLDVACQKCFV-HUUCEWRRSA-N 1 2 346.431 0.644 20 30 ECEDLO CC#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001057971107 773310972 /nfs/dbraw/zinc/31/09/72/773310972.db2.gz UMBSLDVACQKCFV-HUUCEWRRSA-N 1 2 346.431 0.644 20 30 ECEDLO CC#CCCCC(=O)NC[C@]1(O)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001040608557 783095094 /nfs/dbraw/zinc/09/50/94/783095094.db2.gz DPVDPZAROCWHFC-GOSISDBHSA-N 1 2 346.431 0.546 20 30 ECEDLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CCN(c2ccc(C#N)nn2)CC1 ZINC001058089811 773515118 /nfs/dbraw/zinc/51/51/18/773515118.db2.gz VPIKJKLKRHPVSJ-UHFFFAOYSA-N 1 2 325.376 0.741 20 30 ECEDLO C#CCCCCCC(=O)NCCN(CCO)C(=O)Cc1c[nH+]cn1C ZINC001058159798 773664214 /nfs/dbraw/zinc/66/42/14/773664214.db2.gz XKHOWYWFBMBPSS-UHFFFAOYSA-N 1 2 348.447 0.483 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCCN(c2ccc(C#N)nn2)C1 ZINC001058176731 773706593 /nfs/dbraw/zinc/70/65/93/773706593.db2.gz FTMSECCEQAQTSW-ZDUSSCGKSA-N 1 2 325.376 0.409 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCN(c2cncc(C#N)n2)C1 ZINC001058181880 773719818 /nfs/dbraw/zinc/71/98/18/773719818.db2.gz KOQNTMGWJQZNEK-GFCCVEGCSA-N 1 2 325.376 0.708 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040624949 783127764 /nfs/dbraw/zinc/12/77/64/783127764.db2.gz JZJILGGTACDEBE-SUMWQHHRSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001040625392 783129062 /nfs/dbraw/zinc/12/90/62/783129062.db2.gz MZLZUDJVXXKULC-ACJLOTCBSA-N 1 2 348.447 0.943 20 30 ECEDLO C=CCC(CC=C)C(=O)NCCN(CCO)C(=O)Cc1[nH]c[nH+]c1C ZINC001058263576 773874744 /nfs/dbraw/zinc/87/47/44/773874744.db2.gz QSWDFTZYKFETCA-UHFFFAOYSA-N 1 2 348.447 0.966 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)Cc1[nH]c[nH+]c1C ZINC001058263782 773875841 /nfs/dbraw/zinc/87/58/41/773875841.db2.gz ZYFHESYPFIZAOE-ZDUSSCGKSA-N 1 2 336.436 0.800 20 30 ECEDLO CC#CCCCC(=O)N(CCO)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001058446029 774197994 /nfs/dbraw/zinc/19/79/94/774197994.db2.gz LWZRZFHEWIXPIG-UHFFFAOYSA-N 1 2 334.420 0.473 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CCN(c3cnc(C#N)cn3)C2)c[nH+]1 ZINC001058584406 774478059 /nfs/dbraw/zinc/47/80/59/774478059.db2.gz MZCHARQTGVRYMW-CYBMUJFWSA-N 1 2 339.403 0.983 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CCN(c3[nH+]cnc4c3cnn4C)[C@H]2C1 ZINC001044949161 774758234 /nfs/dbraw/zinc/75/82/34/774758234.db2.gz SAACHVWWJFNDNC-DYEKYZERSA-N 1 2 339.403 0.950 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001044980381 774795099 /nfs/dbraw/zinc/79/50/99/774795099.db2.gz MIYRZLSVPPPCKP-UONOGXRCSA-N 1 2 348.447 0.500 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001044984479 774799199 /nfs/dbraw/zinc/79/91/99/774799199.db2.gz BRBZCPQZPFPFCG-CHWSQXEVSA-N 1 2 334.420 0.490 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001044984479 774799201 /nfs/dbraw/zinc/79/92/01/774799201.db2.gz BRBZCPQZPFPFCG-CHWSQXEVSA-N 1 2 334.420 0.490 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001045059226 774911713 /nfs/dbraw/zinc/91/17/13/774911713.db2.gz OLUFPVXHPIYMDM-CYBMUJFWSA-N 1 2 348.447 0.979 20 30 ECEDLO C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001045064522 774920836 /nfs/dbraw/zinc/92/08/36/774920836.db2.gz UDFBGTGVUBPALD-CYBMUJFWSA-N 1 2 334.420 0.634 20 30 ECEDLO CN(C(=O)[C@H]1C[C@H]1C(N)=O)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001043894675 775242503 /nfs/dbraw/zinc/24/25/03/775242503.db2.gz JIVUGPBFGMCNLS-CVEARBPZSA-N 1 2 342.399 0.353 20 30 ECEDLO C#CCCCCC(=O)N1CC(O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001044138008 775771332 /nfs/dbraw/zinc/77/13/32/775771332.db2.gz UUJROJBGEBKSLC-UHFFFAOYSA-N 1 2 332.404 0.156 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2cn(C)nn2)CC1 ZINC001045563881 775804818 /nfs/dbraw/zinc/80/48/18/775804818.db2.gz OYJKKZXSIULYTN-CABCVRRESA-N 1 2 333.436 0.877 20 30 ECEDLO C#CCCCCC(=O)N1CC(O)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001044319963 776141335 /nfs/dbraw/zinc/14/13/35/776141335.db2.gz RRIHXBMGCMFYPD-UHFFFAOYSA-N 1 2 332.404 0.144 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001044409378 776283136 /nfs/dbraw/zinc/28/31/36/776283136.db2.gz DRDSSEZNVSZDII-UHFFFAOYSA-N 1 2 334.420 0.565 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001044714186 776684949 /nfs/dbraw/zinc/68/49/49/776684949.db2.gz FEIQUERCOUJZIU-UHFFFAOYSA-N 1 2 334.420 0.254 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001079775277 776847898 /nfs/dbraw/zinc/84/78/98/776847898.db2.gz VYEBRDIFAFQSDT-ZDUSSCGKSA-N 1 2 346.431 0.785 20 30 ECEDLO C=CCCOCC(=O)N(CC)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001079978540 777183752 /nfs/dbraw/zinc/18/37/52/777183752.db2.gz SNQCLCZKEYCTMP-UHFFFAOYSA-N 1 2 334.420 0.994 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2coc(CCC)n2)[C@@H](n2ccnn2)C1 ZINC001070074893 790516940 /nfs/dbraw/zinc/51/69/40/790516940.db2.gz LTWHUNBKMIZWDE-HIFRSBDPSA-N 1 2 342.403 0.897 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2coc(CCC)n2)[C@@H](n2ccnn2)C1 ZINC001070074893 790516948 /nfs/dbraw/zinc/51/69/48/790516948.db2.gz LTWHUNBKMIZWDE-HIFRSBDPSA-N 1 2 342.403 0.897 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(N(CC)C(=O)Cn3cc[nH+]c3)C2)nc1 ZINC001080033143 777273912 /nfs/dbraw/zinc/27/39/12/777273912.db2.gz GAEVCQTUYOQPTP-UHFFFAOYSA-N 1 2 337.383 0.633 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cn(CC)cn2)[C@@H](n2ccnn2)C1 ZINC001070080549 790534398 /nfs/dbraw/zinc/53/43/98/790534398.db2.gz KKOMSHRVUHFKJP-HIFRSBDPSA-N 1 2 327.392 0.173 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cn(CC)cn2)[C@@H](n2ccnn2)C1 ZINC001070080549 790534402 /nfs/dbraw/zinc/53/44/02/790534402.db2.gz KKOMSHRVUHFKJP-HIFRSBDPSA-N 1 2 327.392 0.173 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C3CC3)cn2)[C@@H](n2ccnn2)C1 ZINC001070086793 790558253 /nfs/dbraw/zinc/55/82/53/790558253.db2.gz NJFPFXNZQIZCOE-SJORKVTESA-N 1 2 336.399 0.839 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C3CC3)cn2)[C@@H](n2ccnn2)C1 ZINC001070086793 790558266 /nfs/dbraw/zinc/55/82/66/790558266.db2.gz NJFPFXNZQIZCOE-SJORKVTESA-N 1 2 336.399 0.839 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001080347604 777724932 /nfs/dbraw/zinc/72/49/32/777724932.db2.gz ZAJMHXGYXILBRS-ZDUSSCGKSA-N 1 2 334.420 0.993 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(N(CC)C(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC001080351081 777732224 /nfs/dbraw/zinc/73/22/24/777732224.db2.gz MSBFBQIUQLUBFE-UHFFFAOYSA-N 1 2 337.383 0.702 20 30 ECEDLO CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001080417090 777822615 /nfs/dbraw/zinc/82/26/15/777822615.db2.gz VRPDUDZQLWCLGH-CHWSQXEVSA-N 1 2 329.404 0.664 20 30 ECEDLO C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001043207343 777959660 /nfs/dbraw/zinc/95/96/60/777959660.db2.gz SFXMCUQJCAUANN-UHFFFAOYSA-N 1 2 334.420 0.565 20 30 ECEDLO C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001043226426 778004762 /nfs/dbraw/zinc/00/47/62/778004762.db2.gz VYYZVGVKWYKAMN-CQSZACIVSA-N 1 2 346.431 0.471 20 30 ECEDLO C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001043226426 778004774 /nfs/dbraw/zinc/00/47/74/778004774.db2.gz VYYZVGVKWYKAMN-CQSZACIVSA-N 1 2 346.431 0.471 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c(C)onc2CC)[C@@H](n2ccnn2)C1 ZINC001070094869 790584134 /nfs/dbraw/zinc/58/41/34/790584134.db2.gz IPJUIRVDKMNMHH-CABCVRRESA-N 1 2 342.403 0.816 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)onc2CC)[C@@H](n2ccnn2)C1 ZINC001070094869 790584144 /nfs/dbraw/zinc/58/41/44/790584144.db2.gz IPJUIRVDKMNMHH-CABCVRRESA-N 1 2 342.403 0.816 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1Nc1nccnc1C#N ZINC001043252924 778048787 /nfs/dbraw/zinc/04/87/87/778048787.db2.gz WKAMOGFQBJSJOA-BXUZGUMPSA-N 1 2 325.376 0.583 20 30 ECEDLO C=C(C)CCC(=O)NCC1(O)CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001043311892 778141908 /nfs/dbraw/zinc/14/19/08/778141908.db2.gz ZXKIRALQNNBUME-UHFFFAOYSA-N 1 2 334.420 0.733 20 30 ECEDLO C#CCCCCC(=O)N1CC(O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001043524826 778465819 /nfs/dbraw/zinc/46/58/19/778465819.db2.gz KBHYEOJYKWFWGO-UHFFFAOYSA-N 1 2 332.404 0.225 20 30 ECEDLO C#CCCCCC(=O)N1CC(O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001043524826 778465822 /nfs/dbraw/zinc/46/58/22/778465822.db2.gz KBHYEOJYKWFWGO-UHFFFAOYSA-N 1 2 332.404 0.225 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C(C)(C)CCC)C1 ZINC001043646372 778659297 /nfs/dbraw/zinc/65/92/97/778659297.db2.gz COXNDRDCCOPWSN-HNNXBMFYSA-N 1 2 349.475 0.600 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C(C)(C)CCC)C1 ZINC001043646372 778659298 /nfs/dbraw/zinc/65/92/98/778659298.db2.gz COXNDRDCCOPWSN-HNNXBMFYSA-N 1 2 349.475 0.600 20 30 ECEDLO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cc(CC)[nH]n2)C[C@@H]1n1ccnn1 ZINC001070145186 790745826 /nfs/dbraw/zinc/74/58/26/790745826.db2.gz VIMXBKZTIOTCFF-KGLIPLIRSA-N 1 2 349.826 0.971 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@H](N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001078995268 780686951 /nfs/dbraw/zinc/68/69/51/780686951.db2.gz MVOZJAPMXMTMET-INIZCTEOSA-N 1 2 346.431 0.763 20 30 ECEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2csnn2)C1 ZINC001079139287 780803285 /nfs/dbraw/zinc/80/32/85/780803285.db2.gz LDMWUNYJAVZYOX-HZPDHXFCSA-N 1 2 342.424 0.859 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2csnn2)C1 ZINC001079139287 780803291 /nfs/dbraw/zinc/80/32/91/780803291.db2.gz LDMWUNYJAVZYOX-HZPDHXFCSA-N 1 2 342.424 0.859 20 30 ECEDLO C=CCCC(=O)N1CC[NH+](CCCCCNC(=O)c2cnn[nH]2)CC1 ZINC001079162045 780838118 /nfs/dbraw/zinc/83/81/18/780838118.db2.gz SWNKWGPPJZYGER-UHFFFAOYSA-N 1 2 348.451 0.815 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 ZINC001042966199 781112275 /nfs/dbraw/zinc/11/22/75/781112275.db2.gz RAWPJPZIKJQVFJ-UHFFFAOYSA-N 1 2 346.431 0.092 20 30 ECEDLO CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CN(C(=O)C#CC(C)(C)C)C1 ZINC001079541472 781244412 /nfs/dbraw/zinc/24/44/12/781244412.db2.gz SDDHHBCPSZKDHZ-OAHLLOKOSA-N 1 2 335.448 0.426 20 30 ECEDLO CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CN(C(=O)C#CC(C)(C)C)C1 ZINC001079541472 781244416 /nfs/dbraw/zinc/24/44/16/781244416.db2.gz SDDHHBCPSZKDHZ-OAHLLOKOSA-N 1 2 335.448 0.426 20 30 ECEDLO C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)CCn2cc[nH+]c2)nc1 ZINC001077633650 781391104 /nfs/dbraw/zinc/39/11/04/781391104.db2.gz ZUVULDVHWRZMOE-AWEZNQCLSA-N 1 2 339.399 0.974 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCCCC3)C[C@H]2O)C1 ZINC001077642126 781411354 /nfs/dbraw/zinc/41/13/54/781411354.db2.gz XKUMWQQDCRABAQ-HZPDHXFCSA-N 1 2 349.475 0.907 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCCCC3)C[C@H]2O)C1 ZINC001077642126 781411363 /nfs/dbraw/zinc/41/13/63/781411363.db2.gz XKUMWQQDCRABAQ-HZPDHXFCSA-N 1 2 349.475 0.907 20 30 ECEDLO N#Cc1cnccc1NC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC001041504278 781649335 /nfs/dbraw/zinc/64/93/35/781649335.db2.gz CWKKKHSWJNBGEP-OAHLLOKOSA-N 1 2 340.387 0.301 20 30 ECEDLO C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(S(C)(=O)=O)o2)C1 ZINC001077767634 781668486 /nfs/dbraw/zinc/66/84/86/781668486.db2.gz LOCHLJSALIOUBS-VXGBXAGGSA-N 1 2 342.417 0.424 20 30 ECEDLO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(S(C)(=O)=O)o2)C1 ZINC001077767634 781668489 /nfs/dbraw/zinc/66/84/89/781668489.db2.gz LOCHLJSALIOUBS-VXGBXAGGSA-N 1 2 342.417 0.424 20 30 ECEDLO O=C(Cc1cscn1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077787329 781692934 /nfs/dbraw/zinc/69/29/34/781692934.db2.gz VYPVAMDPJBPORD-IAGOWNOFSA-N 1 2 341.436 0.899 20 30 ECEDLO O=C(Cc1cscn1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077787329 781692940 /nfs/dbraw/zinc/69/29/40/781692940.db2.gz VYPVAMDPJBPORD-IAGOWNOFSA-N 1 2 341.436 0.899 20 30 ECEDLO Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)n1 ZINC001077812852 781740253 /nfs/dbraw/zinc/74/02/53/781740253.db2.gz RIULAOUWLFIYOQ-HUUCEWRRSA-N 1 2 325.372 0.565 20 30 ECEDLO Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)n1 ZINC001077812852 781740257 /nfs/dbraw/zinc/74/02/57/781740257.db2.gz RIULAOUWLFIYOQ-HUUCEWRRSA-N 1 2 325.372 0.565 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@H]1O ZINC001077822052 781759138 /nfs/dbraw/zinc/75/91/38/781759138.db2.gz WBNJCDTUJFGMKT-JJXSEGSLSA-N 1 2 335.404 0.626 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@H]1O ZINC001077822052 781759147 /nfs/dbraw/zinc/75/91/47/781759147.db2.gz WBNJCDTUJFGMKT-JJXSEGSLSA-N 1 2 335.404 0.626 20 30 ECEDLO Cc1n[nH]c(C)c1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077849637 781814357 /nfs/dbraw/zinc/81/43/57/781814357.db2.gz GGYGBOGJTBDWRA-IAGOWNOFSA-N 1 2 338.411 0.853 20 30 ECEDLO Cc1n[nH]c(C)c1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077849637 781814362 /nfs/dbraw/zinc/81/43/62/781814362.db2.gz GGYGBOGJTBDWRA-IAGOWNOFSA-N 1 2 338.411 0.853 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040692789 783276474 /nfs/dbraw/zinc/27/64/74/783276474.db2.gz AGGCKGOCKGHBMW-KRWDZBQOSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040696391 783287374 /nfs/dbraw/zinc/28/73/74/783287374.db2.gz LTAFDYADYCTGCR-SJORKVTESA-N 1 2 334.420 0.634 20 30 ECEDLO Cc1cc(C#N)nc(N2C[C@@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)[C@@H]3C2)n1 ZINC001040699832 783294679 /nfs/dbraw/zinc/29/46/79/783294679.db2.gz JHWMNOCHHUVMAM-GXTWGEPZSA-N 1 2 337.387 0.660 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@H](C)C(=O)NC ZINC001039923473 783299962 /nfs/dbraw/zinc/29/99/62/783299962.db2.gz SRDMTVJXQLZAMT-LJIZCISZSA-N 1 2 335.448 0.777 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)NC ZINC001039923473 783299967 /nfs/dbraw/zinc/29/99/67/783299967.db2.gz SRDMTVJXQLZAMT-LJIZCISZSA-N 1 2 335.448 0.777 20 30 ECEDLO C=CCC1(C(=O)NC[C@]2(O)CCN(C(=O)Cc3c[nH+]c[nH]3)C2)CCC1 ZINC001040814855 783493793 /nfs/dbraw/zinc/49/37/93/783493793.db2.gz LYFUJDUMLHZAJS-GOSISDBHSA-N 1 2 346.431 0.778 20 30 ECEDLO C=C1CC(C)(C(=O)NC[C@@]2(O)CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001040850236 783558383 /nfs/dbraw/zinc/55/83/83/783558383.db2.gz JWAOESUPRRFMLP-SFHVURJKSA-N 1 2 346.431 0.399 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H]([NH2+]Cc2cnn(C)n2)[C@@H](n2ccnn2)C1 ZINC001070250113 783739619 /nfs/dbraw/zinc/73/96/19/783739619.db2.gz GUPVQCMDCARRMS-KGLIPLIRSA-N 1 2 344.423 0.161 20 30 ECEDLO C#CC[N@H+]1C[C@@H](c2nc(CNC(=O)c3cnon3)n[nH]2)[C@H](C2CC2)C1 ZINC001070352359 783866106 /nfs/dbraw/zinc/86/61/06/783866106.db2.gz SBKGREVFGLUDNM-NWDGAFQWSA-N 1 2 341.375 0.176 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](c2nc(CNC(=O)c3cnon3)n[nH]2)[C@H](C2CC2)C1 ZINC001070352359 783866112 /nfs/dbraw/zinc/86/61/12/783866112.db2.gz SBKGREVFGLUDNM-NWDGAFQWSA-N 1 2 341.375 0.176 20 30 ECEDLO CC(C)N1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)C1=O ZINC001038169404 783945182 /nfs/dbraw/zinc/94/51/82/783945182.db2.gz UQFMCEMHYGQOCD-HUUCEWRRSA-N 1 2 329.404 0.700 20 30 ECEDLO CC(C)N1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)C1=O ZINC001038169404 783945185 /nfs/dbraw/zinc/94/51/85/783945185.db2.gz UQFMCEMHYGQOCD-HUUCEWRRSA-N 1 2 329.404 0.700 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCOC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070440107 784076311 /nfs/dbraw/zinc/07/63/11/784076311.db2.gz BHAGJKZDMBZHPM-CABCVRRESA-N 1 2 343.431 0.401 20 30 ECEDLO C#CCC[NH+]1CC2(C1)CN(C(=O)c1cc[nH]n1)C[C@H]2c1nnc(C)[nH]1 ZINC001070441012 784080745 /nfs/dbraw/zinc/08/07/45/784080745.db2.gz OUOZMOBUFMOALP-ZDUSSCGKSA-N 1 2 339.403 0.401 20 30 ECEDLO C#CCC[NH+]1CC2(C1)CN(C(=O)c1ccn[nH]1)C[C@H]2c1nnc(C)[nH]1 ZINC001070441012 784080749 /nfs/dbraw/zinc/08/07/49/784080749.db2.gz OUOZMOBUFMOALP-ZDUSSCGKSA-N 1 2 339.403 0.401 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1n[nH]cc1C)C[C@H]2c1nnc(C)[nH]1 ZINC001070442592 784085554 /nfs/dbraw/zinc/08/55/54/784085554.db2.gz JXNROGQGJQIVDV-ZDUSSCGKSA-N 1 2 339.403 0.319 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(CC)n[nH]2)CC1 ZINC001070942071 784177951 /nfs/dbraw/zinc/17/79/51/784177951.db2.gz OGWOTACMFIPURD-UHFFFAOYSA-N 1 2 333.436 0.812 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2cc(CC)n[nH]2)CC1 ZINC001070942071 784177957 /nfs/dbraw/zinc/17/79/57/784177957.db2.gz OGWOTACMFIPURD-UHFFFAOYSA-N 1 2 333.436 0.812 20 30 ECEDLO C=CCCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001070519436 784221843 /nfs/dbraw/zinc/22/18/43/784221843.db2.gz ZOOOZICXLOOPPT-HUUCEWRRSA-N 1 2 334.420 0.972 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccnn2CC)CC1 ZINC001070957748 784225900 /nfs/dbraw/zinc/22/59/00/784225900.db2.gz VAVSSHQRYBUMHM-UHFFFAOYSA-N 1 2 331.420 0.190 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccnn2CC)CC1 ZINC001070957748 784225912 /nfs/dbraw/zinc/22/59/12/784225912.db2.gz VAVSSHQRYBUMHM-UHFFFAOYSA-N 1 2 331.420 0.190 20 30 ECEDLO C[C@H](CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCC#N)C1)n1cc[nH+]c1 ZINC001070541864 784245431 /nfs/dbraw/zinc/24/54/31/784245431.db2.gz HTQRIUUAMXMIOE-IJEWVQPXSA-N 1 2 341.419 0.675 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)c2c(C3CC3)cnn2C)CC1 ZINC001070969177 784262829 /nfs/dbraw/zinc/26/28/29/784262829.db2.gz DQJOSLVZNQCCPT-UHFFFAOYSA-N 1 2 345.447 0.748 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)c2c(C3CC3)cnn2C)CC1 ZINC001070969177 784262839 /nfs/dbraw/zinc/26/28/39/784262839.db2.gz DQJOSLVZNQCCPT-UHFFFAOYSA-N 1 2 345.447 0.748 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2cnc3n2CCC3)CC1 ZINC001070970606 784270159 /nfs/dbraw/zinc/27/01/59/784270159.db2.gz NPMOTVBKHMIQKK-UHFFFAOYSA-N 1 2 345.447 0.670 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2cnc3n2CCC3)CC1 ZINC001070970606 784270166 /nfs/dbraw/zinc/27/01/66/784270166.db2.gz NPMOTVBKHMIQKK-UHFFFAOYSA-N 1 2 345.447 0.670 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2cc(C)nn2C)CC1 ZINC001070980899 784310042 /nfs/dbraw/zinc/31/00/42/784310042.db2.gz AGZAYTQOAXZBDQ-UHFFFAOYSA-N 1 2 333.436 0.108 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2cc(C)nn2C)CC1 ZINC001070980899 784310049 /nfs/dbraw/zinc/31/00/49/784310049.db2.gz AGZAYTQOAXZBDQ-UHFFFAOYSA-N 1 2 333.436 0.108 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)c2c(C)cc(C)[nH]c2=O)CC1 ZINC001070983964 784320089 /nfs/dbraw/zinc/32/00/89/784320089.db2.gz NRUDFJRHRPJABP-UHFFFAOYSA-N 1 2 346.431 0.854 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)c2c(C)cc(C)[nH]c2=O)CC1 ZINC001070983964 784320097 /nfs/dbraw/zinc/32/00/97/784320097.db2.gz NRUDFJRHRPJABP-UHFFFAOYSA-N 1 2 346.431 0.854 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCOC[C@@H]2C)CC1 ZINC001070996122 784356114 /nfs/dbraw/zinc/35/61/14/784356114.db2.gz IJCXWCGZILOEAK-JKSUJKDBSA-N 1 2 337.464 0.886 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCOC[C@@H]2C)CC1 ZINC001070996122 784356121 /nfs/dbraw/zinc/35/61/21/784356121.db2.gz IJCXWCGZILOEAK-JKSUJKDBSA-N 1 2 337.464 0.886 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(C)nc(C)n2)CC1 ZINC001071007363 784391317 /nfs/dbraw/zinc/39/13/17/784391317.db2.gz LPZQKRDGYRFCDV-UHFFFAOYSA-N 1 2 343.431 0.381 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C)nc(C)n2)CC1 ZINC001071007363 784391321 /nfs/dbraw/zinc/39/13/21/784391321.db2.gz LPZQKRDGYRFCDV-UHFFFAOYSA-N 1 2 343.431 0.381 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2ncccn2)CC1 ZINC001071009209 784398226 /nfs/dbraw/zinc/39/82/26/784398226.db2.gz FPARWWHASOUJEK-UHFFFAOYSA-N 1 2 331.420 0.246 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCc2ncccn2)CC1 ZINC001071009209 784398230 /nfs/dbraw/zinc/39/82/30/784398230.db2.gz FPARWWHASOUJEK-UHFFFAOYSA-N 1 2 331.420 0.246 20 30 ECEDLO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cn2ccnc2C)CC1 ZINC001071020651 784439830 /nfs/dbraw/zinc/43/98/30/784439830.db2.gz NSXOEHQFKIMKJE-UHFFFAOYSA-N 1 2 333.436 0.418 20 30 ECEDLO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cn2ccnc2C)CC1 ZINC001071020651 784439836 /nfs/dbraw/zinc/43/98/36/784439836.db2.gz NSXOEHQFKIMKJE-UHFFFAOYSA-N 1 2 333.436 0.418 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2cncc(F)c2)CC1 ZINC001071025665 784454099 /nfs/dbraw/zinc/45/40/99/784454099.db2.gz QDWRDRYJWPJXDB-UHFFFAOYSA-N 1 2 348.422 0.990 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCc2cncc(F)c2)CC1 ZINC001071025665 784454107 /nfs/dbraw/zinc/45/41/07/784454107.db2.gz QDWRDRYJWPJXDB-UHFFFAOYSA-N 1 2 348.422 0.990 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCc2cnsn2)C1 ZINC001070630573 784462290 /nfs/dbraw/zinc/46/22/90/784462290.db2.gz WMAJDPYMGKANFR-RAIGVLPGSA-N 1 2 345.432 0.515 20 30 ECEDLO CO[C@H](C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1)C1CCC1 ZINC001070674660 784533797 /nfs/dbraw/zinc/53/37/97/784533797.db2.gz YXDJECHMHMOLSL-FMKPAKJESA-N 1 2 331.420 0.643 20 30 ECEDLO CCCn1cc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)cn1 ZINC001070696286 784564151 /nfs/dbraw/zinc/56/41/51/784564151.db2.gz LAFRVZDESIJGCW-HUUCEWRRSA-N 1 2 341.419 0.748 20 30 ECEDLO COCc1nocc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070709722 784577508 /nfs/dbraw/zinc/57/75/08/784577508.db2.gz PXAUGEPGTLPTGS-DGCLKSJQSA-N 1 2 344.375 0.276 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001070731499 784620873 /nfs/dbraw/zinc/62/08/73/784620873.db2.gz CCMXQCCSQJEZGR-DZGCQCFKSA-N 1 2 332.404 0.488 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001070731499 784620879 /nfs/dbraw/zinc/62/08/79/784620879.db2.gz CCMXQCCSQJEZGR-DZGCQCFKSA-N 1 2 332.404 0.488 20 30 ECEDLO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]c(C)cc1=O)C[C@H](C)O2 ZINC001071228204 784788543 /nfs/dbraw/zinc/78/85/43/784788543.db2.gz QWTSQEBPLPWLDW-KSSFIOAISA-N 1 2 329.400 0.622 20 30 ECEDLO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]c(C)cc1=O)C[C@H](C)O2 ZINC001071228204 784788548 /nfs/dbraw/zinc/78/85/48/784788548.db2.gz QWTSQEBPLPWLDW-KSSFIOAISA-N 1 2 329.400 0.622 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001070888050 784793717 /nfs/dbraw/zinc/79/37/17/784793717.db2.gz AXOCOWWLPUPIHR-PBHICJAKSA-N 1 2 334.420 0.777 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001070888050 784793725 /nfs/dbraw/zinc/79/37/25/784793725.db2.gz AXOCOWWLPUPIHR-PBHICJAKSA-N 1 2 334.420 0.777 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1nnc[nH]1)C[C@H](C)O2 ZINC001071231323 784795060 /nfs/dbraw/zinc/79/50/60/784795060.db2.gz OUIMDXYHSIVGON-SWLSCSKDSA-N 1 2 339.827 0.792 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1nnc[nH]1)C[C@H](C)O2 ZINC001071231323 784795067 /nfs/dbraw/zinc/79/50/67/784795067.db2.gz OUIMDXYHSIVGON-SWLSCSKDSA-N 1 2 339.827 0.792 20 30 ECEDLO N#CCN1CCN([C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C(=O)C1 ZINC001071265240 784886402 /nfs/dbraw/zinc/88/64/02/784886402.db2.gz BXDVQHPLEHKCPB-OAHLLOKOSA-N 1 2 344.419 0.001 20 30 ECEDLO N#CCN1CCN([C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C(=O)C1 ZINC001071265240 784886413 /nfs/dbraw/zinc/88/64/13/784886413.db2.gz BXDVQHPLEHKCPB-OAHLLOKOSA-N 1 2 344.419 0.001 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC[C@@H](N3CC[N@@H+](CC)CC3=O)C2)c1 ZINC001071273984 784910778 /nfs/dbraw/zinc/91/07/78/784910778.db2.gz MNTKENUDYNELRU-QGZVFWFLSA-N 1 2 340.427 0.832 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC[C@@H](N3CC[N@H+](CC)CC3=O)C2)c1 ZINC001071273984 784910782 /nfs/dbraw/zinc/91/07/82/784910782.db2.gz MNTKENUDYNELRU-QGZVFWFLSA-N 1 2 340.427 0.832 20 30 ECEDLO C=CCN1CCN([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C(=O)C1 ZINC001071279252 784926385 /nfs/dbraw/zinc/92/63/85/784926385.db2.gz QPDHMOIXJGCANT-HNNXBMFYSA-N 1 2 331.420 0.204 20 30 ECEDLO C=CCCC(=O)N[C@H]1COC2(CN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001068753035 791074708 /nfs/dbraw/zinc/07/47/08/791074708.db2.gz LDRKLQGXSBDGQJ-CQSZACIVSA-N 1 2 346.431 0.805 20 30 ECEDLO C=CCCC(=O)N[C@H]1COC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001068757479 791079709 /nfs/dbraw/zinc/07/97/09/791079709.db2.gz VMYBCFPERLYGST-CQSZACIVSA-N 1 2 332.404 0.795 20 30 ECEDLO C=CCCC(=O)N[C@H]1COC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001068757479 791079717 /nfs/dbraw/zinc/07/97/17/791079717.db2.gz VMYBCFPERLYGST-CQSZACIVSA-N 1 2 332.404 0.795 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(=O)NC3CC3)C2)c1 ZINC001071814736 785146728 /nfs/dbraw/zinc/14/67/28/785146728.db2.gz KRSJTGREVARNQY-DYVFJYSZSA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(=O)NC3CC3)C2)c1 ZINC001071814736 785146733 /nfs/dbraw/zinc/14/67/33/785146733.db2.gz KRSJTGREVARNQY-DYVFJYSZSA-N 1 2 340.427 0.924 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC[C@@H]1C ZINC001071901050 785295924 /nfs/dbraw/zinc/29/59/24/785295924.db2.gz MYTGEJKTOYZAIT-RYUDHWBXSA-N 1 2 330.392 0.226 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC[C@@H]1C ZINC001071901050 785295928 /nfs/dbraw/zinc/29/59/28/785295928.db2.gz MYTGEJKTOYZAIT-RYUDHWBXSA-N 1 2 330.392 0.226 20 30 ECEDLO C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001071919214 785334970 /nfs/dbraw/zinc/33/49/70/785334970.db2.gz YJTMPEBSNZETAB-SMDDNHRTSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001071662047 785474752 /nfs/dbraw/zinc/47/47/52/785474752.db2.gz RPKRVQNDWQJGRK-GXTWGEPZSA-N 1 2 349.460 0.573 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)CCc1[nH+]ccn1C ZINC001071662256 785475528 /nfs/dbraw/zinc/47/55/28/785475528.db2.gz TWPDNRATULBQOO-OLZOCXBDSA-N 1 2 349.460 0.573 20 30 ECEDLO C[C@H]1CC[C@@H](NC(=O)c2nnn(C)n2)C[N@@H+]1Cc1ccc(C#N)s1 ZINC001071743570 785623886 /nfs/dbraw/zinc/62/38/86/785623886.db2.gz APTOTNSTKDUHDW-WDEREUQCSA-N 1 2 345.432 0.926 20 30 ECEDLO C[C@H]1CC[C@@H](NC(=O)c2nnn(C)n2)C[N@H+]1Cc1ccc(C#N)s1 ZINC001071743570 785623892 /nfs/dbraw/zinc/62/38/92/785623892.db2.gz APTOTNSTKDUHDW-WDEREUQCSA-N 1 2 345.432 0.926 20 30 ECEDLO C=CCCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001072340514 786045302 /nfs/dbraw/zinc/04/53/02/786045302.db2.gz VZBSBDLJHATHJT-HIFRSBDPSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001072340514 786045304 /nfs/dbraw/zinc/04/53/04/786045304.db2.gz VZBSBDLJHATHJT-HIFRSBDPSA-N 1 2 334.420 0.898 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001072452646 786205862 /nfs/dbraw/zinc/20/58/62/786205862.db2.gz DQNSWECHKAFCTC-GJZGRUSLSA-N 1 2 332.404 0.276 20 30 ECEDLO C=CCCOCC(=O)N[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001072512579 786306731 /nfs/dbraw/zinc/30/67/31/786306731.db2.gz HYDVXMCHSZLHCZ-GOEBONIOSA-N 1 2 348.447 0.909 20 30 ECEDLO COCc1noc([C@H](C)[N@@H+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)n1 ZINC001072552024 786356117 /nfs/dbraw/zinc/35/61/17/786356117.db2.gz LMZRBZMFGINCQP-RYUDHWBXSA-N 1 2 333.392 0.971 20 30 ECEDLO COCc1noc([C@H](C)[N@H+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)n1 ZINC001072552024 786356124 /nfs/dbraw/zinc/35/61/24/786356124.db2.gz LMZRBZMFGINCQP-RYUDHWBXSA-N 1 2 333.392 0.971 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)nc3CC)C[C@H]21 ZINC001074273168 786561695 /nfs/dbraw/zinc/56/16/95/786561695.db2.gz FFAZPWDXOFUBDB-IAGOWNOFSA-N 1 2 330.432 0.921 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)nc3CC)C[C@H]21 ZINC001074273168 786561702 /nfs/dbraw/zinc/56/17/02/786561702.db2.gz FFAZPWDXOFUBDB-IAGOWNOFSA-N 1 2 330.432 0.921 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@@H]21 ZINC001074274689 786565893 /nfs/dbraw/zinc/56/58/93/786565893.db2.gz VTBBYWIKUODWLD-LSDHHAIUSA-N 1 2 346.431 0.878 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@@H]21 ZINC001074274689 786565900 /nfs/dbraw/zinc/56/59/00/786565900.db2.gz VTBBYWIKUODWLD-LSDHHAIUSA-N 1 2 346.431 0.878 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ncnc4[nH]ccc43)C[C@@H]21 ZINC001074286784 786597886 /nfs/dbraw/zinc/59/78/86/786597886.db2.gz RHOMCPWTPKIIDB-GJZGRUSLSA-N 1 2 339.399 0.848 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ncnc4[nH]ccc43)C[C@@H]21 ZINC001074286784 786597891 /nfs/dbraw/zinc/59/78/91/786597891.db2.gz RHOMCPWTPKIIDB-GJZGRUSLSA-N 1 2 339.399 0.848 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3cncnc3)C[C@H]21 ZINC001074296756 786621496 /nfs/dbraw/zinc/62/14/96/786621496.db2.gz ILNSSYBURLIYRV-IAGOWNOFSA-N 1 2 328.416 0.734 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3cncnc3)C[C@H]21 ZINC001074296756 786621502 /nfs/dbraw/zinc/62/15/02/786621502.db2.gz ILNSSYBURLIYRV-IAGOWNOFSA-N 1 2 328.416 0.734 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@H]21 ZINC001074340199 786708942 /nfs/dbraw/zinc/70/89/42/786708942.db2.gz GNYKXYPFKCWKPL-CABCVRRESA-N 1 2 332.404 0.605 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@H]21 ZINC001074340199 786708952 /nfs/dbraw/zinc/70/89/52/786708952.db2.gz GNYKXYPFKCWKPL-CABCVRRESA-N 1 2 332.404 0.605 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)nn(C)c3OC)C[C@H]21 ZINC001074348946 786729741 /nfs/dbraw/zinc/72/97/41/786729741.db2.gz UUSFKCWUUXGHNF-HUUCEWRRSA-N 1 2 346.431 0.676 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)nn(C)c3OC)C[C@H]21 ZINC001074348946 786729747 /nfs/dbraw/zinc/72/97/47/786729747.db2.gz UUSFKCWUUXGHNF-HUUCEWRRSA-N 1 2 346.431 0.676 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2cnn(CC)n2)C1 ZINC001073598435 786738040 /nfs/dbraw/zinc/73/80/40/786738040.db2.gz YQDPGSYSCCTXSK-GFCCVEGCSA-N 1 2 327.816 0.871 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2cnn(CC)n2)C1 ZINC001073598435 786738043 /nfs/dbraw/zinc/73/80/43/786738043.db2.gz YQDPGSYSCCTXSK-GFCCVEGCSA-N 1 2 327.816 0.871 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCN3CCCC3=O)C[C@H]21 ZINC001074402063 786863123 /nfs/dbraw/zinc/86/31/23/786863123.db2.gz CJARHLWZYWHEMR-CVEARBPZSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCN3CCCC3=O)C[C@H]21 ZINC001074402063 786863133 /nfs/dbraw/zinc/86/31/33/786863133.db2.gz CJARHLWZYWHEMR-CVEARBPZSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C[C@H]21 ZINC001074402948 786868481 /nfs/dbraw/zinc/86/84/81/786868481.db2.gz OESPXBKUYZYYJS-IAGOWNOFSA-N 1 2 341.411 0.724 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C[C@H]21 ZINC001074402948 786868498 /nfs/dbraw/zinc/86/84/98/786868498.db2.gz OESPXBKUYZYYJS-IAGOWNOFSA-N 1 2 341.411 0.724 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC001073665020 786913272 /nfs/dbraw/zinc/91/32/72/786913272.db2.gz SHVXZPNWCQBXCB-AWEZNQCLSA-N 1 2 339.823 0.959 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC001073665020 786913280 /nfs/dbraw/zinc/91/32/80/786913280.db2.gz SHVXZPNWCQBXCB-AWEZNQCLSA-N 1 2 339.823 0.959 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)[C@@H](C)CC)CC1 ZINC001074486067 787046509 /nfs/dbraw/zinc/04/65/09/787046509.db2.gz QMFGOVDGTIMQDZ-HOTGVXAUSA-N 1 2 349.475 0.600 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)[C@@H](C)CC)CC1 ZINC001074486067 787046513 /nfs/dbraw/zinc/04/65/13/787046513.db2.gz QMFGOVDGTIMQDZ-HOTGVXAUSA-N 1 2 349.475 0.600 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001073772616 787173888 /nfs/dbraw/zinc/17/38/88/787173888.db2.gz SZFLKFGYEHFDLK-HZSPNIEDSA-N 1 2 343.855 0.848 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001073772616 787173893 /nfs/dbraw/zinc/17/38/93/787173893.db2.gz SZFLKFGYEHFDLK-HZSPNIEDSA-N 1 2 343.855 0.848 20 30 ECEDLO C=CCCC(=O)NCC1(O)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001074621838 787424927 /nfs/dbraw/zinc/42/49/27/787424927.db2.gz QOOBNNVRMGOTMR-UHFFFAOYSA-N 1 2 334.420 0.778 20 30 ECEDLO C=CCCC(=O)NCC1(O)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001074621838 787424932 /nfs/dbraw/zinc/42/49/32/787424932.db2.gz QOOBNNVRMGOTMR-UHFFFAOYSA-N 1 2 334.420 0.778 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001073960391 787587030 /nfs/dbraw/zinc/58/70/30/787587030.db2.gz NLJYMTVAMVKFAT-DZGCQCFKSA-N 1 2 346.431 0.654 20 30 ECEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCCN1C(=O)C(N)=O ZINC001074056510 787779579 /nfs/dbraw/zinc/77/95/79/787779579.db2.gz SJIXAFBIMIWQLS-OAHLLOKOSA-N 1 2 332.379 0.996 20 30 ECEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCCN1C(=O)C(N)=O ZINC001074056510 787779583 /nfs/dbraw/zinc/77/95/83/787779583.db2.gz SJIXAFBIMIWQLS-OAHLLOKOSA-N 1 2 332.379 0.996 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC001074990272 788676872 /nfs/dbraw/zinc/67/68/72/788676872.db2.gz DATYSARGRBTWJR-LSDHHAIUSA-N 1 2 346.431 0.498 20 30 ECEDLO C=CCOCCCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001072799555 788824156 /nfs/dbraw/zinc/82/41/56/788824156.db2.gz XKLZAMVWSCEMJY-UKRRQHHQSA-N 1 2 334.420 0.898 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001075128136 788945572 /nfs/dbraw/zinc/94/55/72/788945572.db2.gz VLPAQZLKTIPZEC-KBPBESRZSA-N 1 2 332.404 0.488 20 30 ECEDLO CC1(NC(=O)Cn2cc[nH+]c2)CCN(C(=O)CSCC#N)CC1 ZINC001072889393 789038110 /nfs/dbraw/zinc/03/81/10/789038110.db2.gz ZUGVWEGPOOQDNY-UHFFFAOYSA-N 1 2 335.433 0.637 20 30 ECEDLO C#CCCCC(=O)N1CCC(C)(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001072982364 789214163 /nfs/dbraw/zinc/21/41/63/789214163.db2.gz KRDQHCFOWVFVRY-OAHLLOKOSA-N 1 2 335.448 0.618 20 30 ECEDLO C#CCCCC(=O)N1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001072982364 789214168 /nfs/dbraw/zinc/21/41/68/789214168.db2.gz KRDQHCFOWVFVRY-OAHLLOKOSA-N 1 2 335.448 0.618 20 30 ECEDLO C#CCOCCC(=O)NC1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001073215700 789618297 /nfs/dbraw/zinc/61/82/97/789618297.db2.gz XHCOXKKUHKGNBC-UHFFFAOYSA-N 1 2 332.404 0.489 20 30 ECEDLO N#Cc1nccnc1N1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC001069268346 789719596 /nfs/dbraw/zinc/71/95/96/789719596.db2.gz FFRYNVLVRHDSMB-PBHICJAKSA-N 1 2 337.387 0.863 20 30 ECEDLO CCC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCN(C(=O)C#CC(C)C)CC1 ZINC001069360626 789771161 /nfs/dbraw/zinc/77/11/61/789771161.db2.gz ZFQOXWQNPDJOBK-MRXNPFEDSA-N 1 2 349.475 0.864 20 30 ECEDLO CCC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN(C(=O)C#CC(C)C)CC1 ZINC001069360626 789771166 /nfs/dbraw/zinc/77/11/66/789771166.db2.gz ZFQOXWQNPDJOBK-MRXNPFEDSA-N 1 2 349.475 0.864 20 30 ECEDLO C[C@H]1[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1c1cncc(C#N)n1 ZINC001069415280 789811418 /nfs/dbraw/zinc/81/14/18/789811418.db2.gz NFYCXRJMCWWJFE-SMDDNHRTSA-N 1 2 325.376 0.788 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1c1nccnc1C#N ZINC001069415412 789811800 /nfs/dbraw/zinc/81/18/00/789811800.db2.gz PKKOBVCYSDHGAD-YPMHNXCESA-N 1 2 325.376 0.788 20 30 ECEDLO N#Cc1cncc(NC[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001069475505 789850526 /nfs/dbraw/zinc/85/05/26/789850526.db2.gz ICUDNVCNJAAMKO-QWHCGFSZSA-N 1 2 325.376 0.942 20 30 ECEDLO N#Cc1ccc(NC[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001069476285 789851001 /nfs/dbraw/zinc/85/10/01/789851001.db2.gz SXRPQTDGVLHRED-QWHCGFSZSA-N 1 2 325.376 0.942 20 30 ECEDLO CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1Nc1nccnc1C#N ZINC001069619499 789935631 /nfs/dbraw/zinc/93/56/31/789935631.db2.gz IOTKRRSVVCWWPZ-ZDUSSCGKSA-N 1 2 325.376 0.963 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001069775063 790024743 /nfs/dbraw/zinc/02/47/43/790024743.db2.gz VMNYEFYPZRVNBU-SFHVURJKSA-N 1 2 346.431 0.996 20 30 ECEDLO N#CCN1CCn2ncc(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)c2C1 ZINC001069866080 790123755 /nfs/dbraw/zinc/12/37/55/790123755.db2.gz XECQRZIHTXBXCI-ZDUSSCGKSA-N 1 2 339.403 0.298 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccncc2F)[C@@H](n2ccnn2)C1 ZINC001069905951 790175021 /nfs/dbraw/zinc/17/50/21/790175021.db2.gz XTFPXZVCYGQJAB-CABCVRRESA-N 1 2 328.351 0.491 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccncc2F)[C@@H](n2ccnn2)C1 ZINC001069905951 790175025 /nfs/dbraw/zinc/17/50/25/790175025.db2.gz XTFPXZVCYGQJAB-CABCVRRESA-N 1 2 328.351 0.491 20 30 ECEDLO CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001069907577 790176290 /nfs/dbraw/zinc/17/62/90/790176290.db2.gz CQDQALVNKSOIED-YUELXQCFSA-N 1 2 345.382 0.881 20 30 ECEDLO CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001069907577 790176291 /nfs/dbraw/zinc/17/62/91/790176291.db2.gz CQDQALVNKSOIED-YUELXQCFSA-N 1 2 345.382 0.881 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3n[nH]cc32)[C@@H](n2ccnn2)C1 ZINC001069927251 790198361 /nfs/dbraw/zinc/19/83/61/790198361.db2.gz RELMNJLTRXJZGA-MAZHCROVSA-N 1 2 339.403 0.096 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3n[nH]cc32)[C@@H](n2ccnn2)C1 ZINC001069927251 790198365 /nfs/dbraw/zinc/19/83/65/790198365.db2.gz RELMNJLTRXJZGA-MAZHCROVSA-N 1 2 339.403 0.096 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ncc(F)cc2F)[C@@H](n2ccnn2)C1 ZINC001069959071 790241971 /nfs/dbraw/zinc/24/19/71/790241971.db2.gz BPVPQILNLQGODW-OLZOCXBDSA-N 1 2 334.330 0.793 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ncc(F)cc2F)[C@@H](n2ccnn2)C1 ZINC001069959071 790241976 /nfs/dbraw/zinc/24/19/76/790241976.db2.gz BPVPQILNLQGODW-OLZOCXBDSA-N 1 2 334.330 0.793 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1COC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001068821367 791198138 /nfs/dbraw/zinc/19/81/38/791198138.db2.gz MCZPGABJNOCIJW-AWEZNQCLSA-N 1 2 344.415 0.632 20 30 ECEDLO C=CCOCC(=O)N1CC2(C1)C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)CO2 ZINC001068839109 791235983 /nfs/dbraw/zinc/23/59/83/791235983.db2.gz MTNOLQQTQBUOTC-CYBMUJFWSA-N 1 2 348.403 0.031 20 30 ECEDLO C#CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)CO2 ZINC001068845383 791250667 /nfs/dbraw/zinc/25/06/67/791250667.db2.gz UEHVIMVHMVGQJY-CQSZACIVSA-N 1 2 344.415 0.632 20 30 ECEDLO C[C@H]1[C@H](Nc2cncc(C#N)n2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001068872980 791315734 /nfs/dbraw/zinc/31/57/34/791315734.db2.gz UJRVXAHCHFCSOU-SMDDNHRTSA-N 1 2 325.376 0.726 20 30 ECEDLO C[C@H]1C[C@H](Nc2ccnc(C#N)n2)CN1C(=O)Cc1c[nH+]cn1C ZINC001069122485 791722873 /nfs/dbraw/zinc/72/28/73/791722873.db2.gz UDIUXNGPUFBFEU-RYUDHWBXSA-N 1 2 325.376 0.148 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](Nc2ccnc(C#N)n2)C[C@@H]1C ZINC001069129307 791727196 /nfs/dbraw/zinc/72/71/96/791727196.db2.gz HBACVMIKIFXPHA-JQWIXIFHSA-N 1 2 325.376 0.446 20 30 ECEDLO Cc1cc(NC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CCO2)c(C#N)cn1 ZINC001066680424 791976118 /nfs/dbraw/zinc/97/61/18/791976118.db2.gz JXPITJICBKMZJX-OAHLLOKOSA-N 1 2 340.387 0.289 20 30 ECEDLO Cc1ccnc(N2CC[NH+]([C@@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)n1 ZINC001066698908 792020511 /nfs/dbraw/zinc/02/05/11/792020511.db2.gz PHZQMGHTMCOYGH-DZGCQCFKSA-N 1 2 328.420 0.668 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001066698665 792020609 /nfs/dbraw/zinc/02/06/09/792020609.db2.gz NGYVSFJXMAQBFA-KGLIPLIRSA-N 1 2 339.403 0.231 20 30 ECEDLO Cc1ccnc(N2CC[NH+]([C@@H]3CCN(C(=O)C#CC4CC4)C3)CC2)n1 ZINC001066701414 792029947 /nfs/dbraw/zinc/02/99/47/792029947.db2.gz WZSNTYBWXCAAAO-QGZVFWFLSA-N 1 2 339.443 0.921 20 30 ECEDLO N#Cc1cncc(N2CCC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001066753767 792103938 /nfs/dbraw/zinc/10/39/38/792103938.db2.gz NOIUEUWYJAMULI-ZDUSSCGKSA-N 1 2 325.376 0.720 20 30 ECEDLO Cc1cc(NCC2CC(NC(=O)Cc3c[nH+]cn3C)C2)c(C#N)cn1 ZINC001067857053 792382065 /nfs/dbraw/zinc/38/20/65/792382065.db2.gz ZFCPOQOWYKEDLT-UHFFFAOYSA-N 1 2 338.415 0.967 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC1CC(CNc2ccnc(C#N)n2)C1 ZINC001067860150 792385967 /nfs/dbraw/zinc/38/59/67/792385967.db2.gz NRKMLGCZJIMKDY-UHFFFAOYSA-N 1 2 325.376 0.351 20 30 ECEDLO Cc1cc(C#N)nc(NCC2CC(NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001067860873 792387441 /nfs/dbraw/zinc/38/74/41/792387441.db2.gz USYVICCDGOGNPG-UHFFFAOYSA-N 1 2 325.376 0.929 20 30 ECEDLO N#Cc1nccc(NCC2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC001067897725 792440186 /nfs/dbraw/zinc/44/01/86/792440186.db2.gz HNZYIOXSBGXVCU-FIYWTHMPSA-N 1 2 337.387 0.604 20 30 ECEDLO N#Cc1nccc(NCC2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)n1 ZINC001067897725 792440192 /nfs/dbraw/zinc/44/01/92/792440192.db2.gz HNZYIOXSBGXVCU-FIYWTHMPSA-N 1 2 337.387 0.604 20 30 ECEDLO C[C@@H]1CCN(c2ccc(C#N)nn2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067962668 792511987 /nfs/dbraw/zinc/51/19/87/792511987.db2.gz DCJPBMUMMMVGFT-IUODEOHRSA-N 1 2 339.403 0.655 20 30 ECEDLO C[C@@H]1CCN(c2nccnc2C#N)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067962853 792512273 /nfs/dbraw/zinc/51/22/73/792512273.db2.gz GNHKYAAUVVWSBI-IUODEOHRSA-N 1 2 339.403 0.655 20 30 ECEDLO C[C@@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067962667 792512878 /nfs/dbraw/zinc/51/28/78/792512878.db2.gz DCJPBMUMMMVGFT-DOMZBBRYSA-N 1 2 339.403 0.655 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CN(c2ccc(C#N)nn2)CC1(C)C ZINC001068117220 792700033 /nfs/dbraw/zinc/70/00/33/792700033.db2.gz PVKDPGBHSVPPAH-AWEZNQCLSA-N 1 2 339.403 0.655 20 30 ECEDLO CC1(C)CN(c2nccnc2C#N)C[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001068139993 792735826 /nfs/dbraw/zinc/73/58/26/792735826.db2.gz MLEUNOODGZDKBH-ZDUSSCGKSA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1Nc1ccnc(C#N)n1 ZINC001067174460 792777098 /nfs/dbraw/zinc/77/70/98/792777098.db2.gz HQPXWIFTWLBLOZ-OLZOCXBDSA-N 1 2 325.376 0.316 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1Nc1cnc(C#N)cn1 ZINC001067227393 792848211 /nfs/dbraw/zinc/84/82/11/792848211.db2.gz KNODXTJMAXIAGB-GXTWGEPZSA-N 1 2 339.403 0.973 20 30 ECEDLO C[C@H](Nc1ncccc1C#N)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001068234360 792884819 /nfs/dbraw/zinc/88/48/19/792884819.db2.gz GTFPEZFVXVNYJU-ZFWWWQNUSA-N 1 2 340.387 0.878 20 30 ECEDLO C[C@@H](Nc1ccc(C#N)nn1)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001068236336 792894850 /nfs/dbraw/zinc/89/48/50/792894850.db2.gz HJHXLRBJMWLLPK-DGCLKSJQSA-N 1 2 341.375 0.342 20 30 ECEDLO C[C@H](Nc1ccc(C#N)cn1)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001068236274 792894938 /nfs/dbraw/zinc/89/49/38/792894938.db2.gz GEZBCXLMPNQERP-GXTWGEPZSA-N 1 2 340.387 0.947 20 30 ECEDLO C[C@@H]1C[C@@H](CNc2ccc(C#N)nn2)CN1C(=O)Cc1c[nH+]cn1C ZINC001068336602 793071638 /nfs/dbraw/zinc/07/16/38/793071638.db2.gz BRNYPHLKEHVBMF-OLZOCXBDSA-N 1 2 339.403 0.973 20 30 ECEDLO C[C@H]1C[C@@H](CNc2cncc(C#N)n2)CN1C(=O)Cc1c[nH+]cn1C ZINC001068336896 793072114 /nfs/dbraw/zinc/07/21/14/793072114.db2.gz HAUFNMWUJGAAPI-STQMWFEESA-N 1 2 339.403 0.973 20 30 ECEDLO C[C@@H]1C[C@@H](CNc2ccc(C#N)nn2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001068349067 793098819 /nfs/dbraw/zinc/09/88/19/793098819.db2.gz WNPYATWIHMYOLB-NEPJUHHUSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@@H]1CN(c2ccc(C#N)nn2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067405568 793108918 /nfs/dbraw/zinc/10/89/18/793108918.db2.gz JWMLLXUCPLCRKA-IUODEOHRSA-N 1 2 339.403 0.655 20 30 ECEDLO C#CCOCCC(=O)N(C)CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001067427643 793142135 /nfs/dbraw/zinc/14/21/35/793142135.db2.gz MKQLOBUQTYSPPX-UHFFFAOYSA-N 1 2 334.420 0.620 20 30 ECEDLO C#CCCCCC(=O)N1CCOC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001068383078 793163006 /nfs/dbraw/zinc/16/30/06/793163006.db2.gz BSSHDFZWLWNSPY-UHFFFAOYSA-N 1 2 344.415 0.586 20 30 ECEDLO C[C@@H]1CN(c2cncc(C#N)n2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067440713 793163663 /nfs/dbraw/zinc/16/36/63/793163663.db2.gz NVQNEPMSHUAFEC-BXUZGUMPSA-N 1 2 325.376 0.645 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCOC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001068433757 793309106 /nfs/dbraw/zinc/30/91/06/793309106.db2.gz ZGCAYBYQQITANA-UONOGXRCSA-N 1 2 346.431 0.850 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)CCO2 ZINC001068441798 793319572 /nfs/dbraw/zinc/31/95/72/793319572.db2.gz FIDHVAVBMMARAW-AWEZNQCLSA-N 1 2 346.431 0.994 20 30 ECEDLO CC(C)C#CC(=O)N1CC2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)CCO2 ZINC001068442038 793320417 /nfs/dbraw/zinc/32/04/17/793320417.db2.gz MRZUOMKGRGMHJN-UHFFFAOYSA-N 1 2 330.388 0.051 20 30 ECEDLO CN(CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(=O)c1ccc(C#N)[nH]1 ZINC001408605991 837428676 /nfs/dbraw/zinc/42/86/76/837428676.db2.gz JCHHOZOYAHHLNW-GFCCVEGCSA-N 1 2 340.387 0.534 20 30 ECEDLO C=CCCn1cc(C(=O)N(CCC)[C@H]2CC[N@H+](CC(=O)NC)C2)nn1 ZINC001267487793 837550172 /nfs/dbraw/zinc/55/01/72/837550172.db2.gz GQXPNFZKGLVYLB-AWEZNQCLSA-N 1 2 348.451 0.527 20 30 ECEDLO C=CCCn1cc(C(=O)N(CCC)[C@H]2CC[N@@H+](CC(=O)NC)C2)nn1 ZINC001267487793 837550181 /nfs/dbraw/zinc/55/01/81/837550181.db2.gz GQXPNFZKGLVYLB-AWEZNQCLSA-N 1 2 348.451 0.527 20 30 ECEDLO CCCN(C(=O)c1cnnc(C)c1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267540171 837726088 /nfs/dbraw/zinc/72/60/88/837726088.db2.gz MPOQRCCVQPRDRF-HNNXBMFYSA-N 1 2 344.419 0.351 20 30 ECEDLO CCCN(C(=O)c1cnnc(C)c1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267540171 837726092 /nfs/dbraw/zinc/72/60/92/837726092.db2.gz MPOQRCCVQPRDRF-HNNXBMFYSA-N 1 2 344.419 0.351 20 30 ECEDLO CCCN(C(=O)c1cc(F)c[nH]1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267543228 837731163 /nfs/dbraw/zinc/73/11/63/837731163.db2.gz DPMCKPUIHPXMQD-ZDUSSCGKSA-N 1 2 335.383 0.720 20 30 ECEDLO CCCN(C(=O)c1cc(F)c[nH]1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267543228 837731171 /nfs/dbraw/zinc/73/11/71/837731171.db2.gz DPMCKPUIHPXMQD-ZDUSSCGKSA-N 1 2 335.383 0.720 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CCN(C)C(=O)/C=C(/C)CC)CC1 ZINC001267571895 837805067 /nfs/dbraw/zinc/80/50/67/837805067.db2.gz BDCUCSBLMGKYBR-PEZBUJJGSA-N 1 2 336.480 0.721 20 30 ECEDLO C=CCN1CC[NH+](CCN(C)C(=O)c2nc(C)c(C)[nH]c2=O)CC1 ZINC001267573368 837813610 /nfs/dbraw/zinc/81/36/10/837813610.db2.gz PZCHBTOPZHVRJF-UHFFFAOYSA-N 1 2 333.436 0.262 20 30 ECEDLO C=CCCCC(=O)N(C)CC[NH+]1CCN(Cc2nnn(C)n2)CC1 ZINC001267574270 837821761 /nfs/dbraw/zinc/82/17/61/837821761.db2.gz AEMDVWDANKSXND-UHFFFAOYSA-N 1 2 335.456 0.142 20 30 ECEDLO CCO[C@@H](C)C(=O)NCC[N@H+](C)CC(=O)NCC#Cc1ccccc1 ZINC001266258189 835567121 /nfs/dbraw/zinc/56/71/21/835567121.db2.gz HGPKLOVOCMDRJE-INIZCTEOSA-N 1 2 345.443 0.627 20 30 ECEDLO CCO[C@@H](C)C(=O)NCC[N@@H+](C)CC(=O)NCC#Cc1ccccc1 ZINC001266258189 835567129 /nfs/dbraw/zinc/56/71/29/835567129.db2.gz HGPKLOVOCMDRJE-INIZCTEOSA-N 1 2 345.443 0.627 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)CCNC(=O)c1nn(C)cc1C ZINC001266275131 835598631 /nfs/dbraw/zinc/59/86/31/835598631.db2.gz OGUHGAVNIQKGSN-UHFFFAOYSA-N 1 2 335.452 0.815 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)CCNC(=O)c1nn(C)cc1C ZINC001266275131 835598636 /nfs/dbraw/zinc/59/86/36/835598636.db2.gz OGUHGAVNIQKGSN-UHFFFAOYSA-N 1 2 335.452 0.815 20 30 ECEDLO COCC#CCN1CC[NH+](CCNC(=O)[C@@H]2CCC[C@@H]2OC)CC1 ZINC001266288062 835630857 /nfs/dbraw/zinc/63/08/57/835630857.db2.gz PWROLRQFTVZTHZ-SJORKVTESA-N 1 2 337.464 0.185 20 30 ECEDLO COCC#CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[C@@H]2OC)CC1 ZINC001266288062 835630859 /nfs/dbraw/zinc/63/08/59/835630859.db2.gz PWROLRQFTVZTHZ-SJORKVTESA-N 1 2 337.464 0.185 20 30 ECEDLO N#CCN1CC[NH+](CCNC(=O)Cc2ccc3c(c2)CCO3)CC1 ZINC001266290380 835634485 /nfs/dbraw/zinc/63/44/85/835634485.db2.gz XRGIPDXYIOHYGO-UHFFFAOYSA-N 1 2 328.416 0.421 20 30 ECEDLO CC(=O)Nc1ccc(C)c(C(=O)NCC[NH+]2CCN(CC#N)CC2)c1 ZINC001266298417 835652941 /nfs/dbraw/zinc/65/29/41/835652941.db2.gz DIRBIRLLDYEMPZ-UHFFFAOYSA-N 1 2 343.431 0.824 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC001266319223 835689240 /nfs/dbraw/zinc/68/92/40/835689240.db2.gz IZORLUCTERPJQE-MRXNPFEDSA-N 1 2 335.448 0.666 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC001266319223 835689241 /nfs/dbraw/zinc/68/92/41/835689241.db2.gz IZORLUCTERPJQE-MRXNPFEDSA-N 1 2 335.448 0.666 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COc3ccccc3C2)C1 ZINC001266327351 835706445 /nfs/dbraw/zinc/70/64/45/835706445.db2.gz CZFZIRYBIIFFAL-GJZGRUSLSA-N 1 2 342.399 0.068 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2COc3ccccc3C2)C1 ZINC001266327351 835706450 /nfs/dbraw/zinc/70/64/50/835706450.db2.gz CZFZIRYBIIFFAL-GJZGRUSLSA-N 1 2 342.399 0.068 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(C(F)F)CCCC2)C1 ZINC001266339139 835723640 /nfs/dbraw/zinc/72/36/40/835723640.db2.gz KDUBGXFHJDTLOK-NSHDSACASA-N 1 2 328.363 0.642 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(C(F)F)CCCC2)C1 ZINC001266339139 835723648 /nfs/dbraw/zinc/72/36/48/835723648.db2.gz KDUBGXFHJDTLOK-NSHDSACASA-N 1 2 328.363 0.642 20 30 ECEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(=O)NC3CC3)C2)CC1 ZINC001266339396 835724440 /nfs/dbraw/zinc/72/44/40/835724440.db2.gz POSMYXJMVFUBIG-HNNXBMFYSA-N 1 2 348.447 0.912 20 30 ECEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(=O)NC3CC3)C2)CC1 ZINC001266339396 835724445 /nfs/dbraw/zinc/72/44/45/835724445.db2.gz POSMYXJMVFUBIG-HNNXBMFYSA-N 1 2 348.447 0.912 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c(F)ccc(C)c2F)C1 ZINC001266339417 835724815 /nfs/dbraw/zinc/72/48/15/835724815.db2.gz PUWVIMRIUMBVPO-LBPRGKRZSA-N 1 2 335.354 0.827 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c(F)ccc(C)c2F)C1 ZINC001266339417 835724822 /nfs/dbraw/zinc/72/48/22/835724822.db2.gz PUWVIMRIUMBVPO-LBPRGKRZSA-N 1 2 335.354 0.827 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1cnn(CC2CCCC2)c1 ZINC001266342283 835728842 /nfs/dbraw/zinc/72/88/42/835728842.db2.gz LGMKOUYZKYGXLP-UHFFFAOYSA-N 1 2 345.447 0.484 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1cnn(CC2CCCC2)c1 ZINC001266342283 835728849 /nfs/dbraw/zinc/72/88/49/835728849.db2.gz LGMKOUYZKYGXLP-UHFFFAOYSA-N 1 2 345.447 0.484 20 30 ECEDLO C[N@H+](CCNC(=O)c1cncc(C(F)(F)F)c1)CC(=O)NCC#N ZINC001266343961 835731878 /nfs/dbraw/zinc/73/18/78/835731878.db2.gz COAXQMOWEPJSQY-UHFFFAOYSA-N 1 2 343.309 0.402 20 30 ECEDLO C[N@@H+](CCNC(=O)c1cncc(C(F)(F)F)c1)CC(=O)NCC#N ZINC001266343961 835731889 /nfs/dbraw/zinc/73/18/89/835731889.db2.gz COAXQMOWEPJSQY-UHFFFAOYSA-N 1 2 343.309 0.402 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC001266345592 835736040 /nfs/dbraw/zinc/73/60/40/835736040.db2.gz WZUNFWAUTGXXHC-CQSZACIVSA-N 1 2 331.420 0.254 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC001266345592 835736052 /nfs/dbraw/zinc/73/60/52/835736052.db2.gz WZUNFWAUTGXXHC-CQSZACIVSA-N 1 2 331.420 0.254 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccco1 ZINC001266442204 835846765 /nfs/dbraw/zinc/84/67/65/835846765.db2.gz BHQALGMYVGZPPF-GFCCVEGCSA-N 1 2 334.376 0.486 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccco1 ZINC001266442204 835846772 /nfs/dbraw/zinc/84/67/72/835846772.db2.gz BHQALGMYVGZPPF-GFCCVEGCSA-N 1 2 334.376 0.486 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C2CC2)n(C)n1 ZINC001266467829 835868767 /nfs/dbraw/zinc/86/87/67/835868767.db2.gz DWRVFENVTRLZOK-CQSZACIVSA-N 1 2 343.431 0.241 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C2CC2)n(C)n1 ZINC001266467829 835868773 /nfs/dbraw/zinc/86/87/73/835868773.db2.gz DWRVFENVTRLZOK-CQSZACIVSA-N 1 2 343.431 0.241 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc2n(n1)CCCC2 ZINC001266468258 835870490 /nfs/dbraw/zinc/87/04/90/835870490.db2.gz MYAYGOHPBHOVDF-HNNXBMFYSA-N 1 2 343.431 0.163 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cc2n(n1)CCCC2 ZINC001266468258 835870495 /nfs/dbraw/zinc/87/04/95/835870495.db2.gz MYAYGOHPBHOVDF-HNNXBMFYSA-N 1 2 343.431 0.163 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cncc2[nH]ccc21 ZINC001266471421 835874765 /nfs/dbraw/zinc/87/47/65/835874765.db2.gz OKILSVRTYRNSHZ-LBPRGKRZSA-N 1 2 340.387 0.397 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cncc2[nH]ccc21 ZINC001266471421 835874768 /nfs/dbraw/zinc/87/47/68/835874768.db2.gz OKILSVRTYRNSHZ-LBPRGKRZSA-N 1 2 340.387 0.397 20 30 ECEDLO CN1CCC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CSCC#N)C1=O ZINC001266478125 835880047 /nfs/dbraw/zinc/88/00/47/835880047.db2.gz CXIHGSKDNSWMIB-HZSPNIEDSA-N 1 2 336.461 0.539 20 30 ECEDLO CN1CCC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CSCC#N)C1=O ZINC001266478125 835880051 /nfs/dbraw/zinc/88/00/51/835880051.db2.gz CXIHGSKDNSWMIB-HZSPNIEDSA-N 1 2 336.461 0.539 20 30 ECEDLO C#CCNC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001266491566 835891869 /nfs/dbraw/zinc/89/18/69/835891869.db2.gz TYHFZFZYAKYQFF-OAGGEKHMSA-N 1 2 343.431 0.086 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H]([NH2+]Cc2nc(CC(C)C)no2)C1 ZINC001266524251 835939435 /nfs/dbraw/zinc/93/94/35/835939435.db2.gz IOOIYXKAJRDIRN-AWEZNQCLSA-N 1 2 334.420 0.999 20 30 ECEDLO C=CCC1(C(=O)NC[C@H]2CC[N@@H+](Cc3nnnn3C)C2)CCOCC1 ZINC001266544666 835965607 /nfs/dbraw/zinc/96/56/07/835965607.db2.gz FVGFSDQMZQJYFN-CQSZACIVSA-N 1 2 348.451 0.521 20 30 ECEDLO C=CCC1(C(=O)NC[C@H]2CC[N@H+](Cc3nnnn3C)C2)CCOCC1 ZINC001266544666 835965610 /nfs/dbraw/zinc/96/56/10/835965610.db2.gz FVGFSDQMZQJYFN-CQSZACIVSA-N 1 2 348.451 0.521 20 30 ECEDLO Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(=O)NCC#N)n1C ZINC001266833709 836359924 /nfs/dbraw/zinc/35/99/24/836359924.db2.gz WWLILRYCISWBPI-CQSZACIVSA-N 1 2 331.420 0.558 20 30 ECEDLO Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CC(=O)NCC#N)n1C ZINC001266833709 836359938 /nfs/dbraw/zinc/35/99/38/836359938.db2.gz WWLILRYCISWBPI-CQSZACIVSA-N 1 2 331.420 0.558 20 30 ECEDLO CCCc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(=O)NCC#N)[nH]n1 ZINC001266849825 836381980 /nfs/dbraw/zinc/38/19/80/836381980.db2.gz OPPAUKMVCLQAFG-CQSZACIVSA-N 1 2 346.435 0.586 20 30 ECEDLO CCCc1cc(C(=O)NC[C@H]2CCCC[N@H+]2CC(=O)NCC#N)[nH]n1 ZINC001266849825 836381992 /nfs/dbraw/zinc/38/19/92/836381992.db2.gz OPPAUKMVCLQAFG-CQSZACIVSA-N 1 2 346.435 0.586 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H](C)[NH2+][C@@H](C)c2nc(CC)no2)nn1 ZINC001266977726 836550123 /nfs/dbraw/zinc/55/01/23/836550123.db2.gz UQTZLPJFOUGWGR-QWRGUYRKSA-N 1 2 333.396 0.879 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1ccc(-n2cccn2)cc1 ZINC001267199261 836968407 /nfs/dbraw/zinc/96/84/07/836968407.db2.gz JZKHZSPWIQGIKM-UHFFFAOYSA-N 1 2 339.399 0.283 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccc(-n2cccn2)cc1 ZINC001267199261 836968416 /nfs/dbraw/zinc/96/84/16/836968416.db2.gz JZKHZSPWIQGIKM-UHFFFAOYSA-N 1 2 339.399 0.283 20 30 ECEDLO C[N@H+](CCNC(=O)C(=O)NCC(F)F)Cc1cc(C#N)ccc1F ZINC001267204909 836983054 /nfs/dbraw/zinc/98/30/54/836983054.db2.gz PMXODQSEDIBDFZ-UHFFFAOYSA-N 1 2 342.321 0.627 20 30 ECEDLO C[N@@H+](CCNC(=O)C(=O)NCC(F)F)Cc1cc(C#N)ccc1F ZINC001267204909 836983058 /nfs/dbraw/zinc/98/30/58/836983058.db2.gz PMXODQSEDIBDFZ-UHFFFAOYSA-N 1 2 342.321 0.627 20 30 ECEDLO C=CC[NH2+][C@H](C)C1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001267207735 836991333 /nfs/dbraw/zinc/99/13/33/836991333.db2.gz IGCLSBUDOWFLCD-GFCCVEGCSA-N 1 2 344.419 0.474 20 30 ECEDLO C[N@H+](CCNC(=O)c1cc(F)cc2cccnc21)CC(=O)NCC#N ZINC001267220568 837012646 /nfs/dbraw/zinc/01/26/46/837012646.db2.gz XLRRHDHDJNRAJL-UHFFFAOYSA-N 1 2 343.362 0.675 20 30 ECEDLO C[N@@H+](CCNC(=O)c1cc(F)cc2cccnc21)CC(=O)NCC#N ZINC001267220568 837012658 /nfs/dbraw/zinc/01/26/58/837012658.db2.gz XLRRHDHDJNRAJL-UHFFFAOYSA-N 1 2 343.362 0.675 20 30 ECEDLO COc1ccc(OC)c(C(=O)NCC[N@H+](C)CC(=O)NCC#N)c1 ZINC001267229047 837027201 /nfs/dbraw/zinc/02/72/01/837027201.db2.gz GJHYIAYKAHFRJG-UHFFFAOYSA-N 1 2 334.376 0.005 20 30 ECEDLO COc1ccc(OC)c(C(=O)NCC[N@@H+](C)CC(=O)NCC#N)c1 ZINC001267229047 837027210 /nfs/dbraw/zinc/02/72/10/837027210.db2.gz GJHYIAYKAHFRJG-UHFFFAOYSA-N 1 2 334.376 0.005 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@]1(c2ccccc2)C[C@H](F)C1 ZINC001267229155 837029644 /nfs/dbraw/zinc/02/96/44/837029644.db2.gz BRFKXYJGLKQWDX-RUCARUNLSA-N 1 2 345.418 0.854 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@]1(c2ccccc2)C[C@H](F)C1 ZINC001267229155 837029652 /nfs/dbraw/zinc/02/96/52/837029652.db2.gz BRFKXYJGLKQWDX-RUCARUNLSA-N 1 2 345.418 0.854 20 30 ECEDLO C#CCC[N@H+]1CCC[C@H]1CNC(=O)CS(=O)(=O)C1CCCC1 ZINC001267269939 837108563 /nfs/dbraw/zinc/10/85/63/837108563.db2.gz FFWXXBFYCPBCNS-AWEZNQCLSA-N 1 2 326.462 0.948 20 30 ECEDLO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)CS(=O)(=O)C1CCCC1 ZINC001267269939 837108569 /nfs/dbraw/zinc/10/85/69/837108569.db2.gz FFWXXBFYCPBCNS-AWEZNQCLSA-N 1 2 326.462 0.948 20 30 ECEDLO CCOc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NCC#N)cc1 ZINC001267281475 837130138 /nfs/dbraw/zinc/13/01/38/837130138.db2.gz LLJWJJXUZHOKAR-HNNXBMFYSA-N 1 2 344.415 0.919 20 30 ECEDLO CCOc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NCC#N)cc1 ZINC001267281475 837130146 /nfs/dbraw/zinc/13/01/46/837130146.db2.gz LLJWJJXUZHOKAR-HNNXBMFYSA-N 1 2 344.415 0.919 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC1CCCC1 ZINC001267404812 837373654 /nfs/dbraw/zinc/37/36/54/837373654.db2.gz BBMOXILKCNGREE-CALCHBBNSA-N 1 2 347.459 0.760 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC1CCCC1 ZINC001267404812 837373665 /nfs/dbraw/zinc/37/36/65/837373665.db2.gz BBMOXILKCNGREE-CALCHBBNSA-N 1 2 347.459 0.760 20 30 ECEDLO C=CCOCC(=O)N(C)CC[NH+]1CCN(Cc2ccn(C)n2)CC1 ZINC001267605757 837943374 /nfs/dbraw/zinc/94/33/74/837943374.db2.gz ALVIARWYAYWORE-UHFFFAOYSA-N 1 2 335.452 0.199 20 30 ECEDLO CC#CCN1CC[NH+](CCN(C)C(=O)[C@@H](OC)c2cnn(C)c2)CC1 ZINC001267608956 837964666 /nfs/dbraw/zinc/96/46/66/837964666.db2.gz JSNKBLNUOQECTF-KRWDZBQOSA-N 1 2 347.463 0.207 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cc3cccn3cn2)C1 ZINC001267614856 837991379 /nfs/dbraw/zinc/99/13/79/837991379.db2.gz CVLHCLMURYBEDX-CQSZACIVSA-N 1 2 339.399 0.278 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cc3cccn3cn2)C1 ZINC001267614856 837991385 /nfs/dbraw/zinc/99/13/85/837991385.db2.gz CVLHCLMURYBEDX-CQSZACIVSA-N 1 2 339.399 0.278 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ncn(C(C)(C)C)n2)C1 ZINC001267617156 838036218 /nfs/dbraw/zinc/03/62/18/838036218.db2.gz JCUBSHYFXAQBJU-CYBMUJFWSA-N 1 2 348.451 0.530 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ncn(C(C)(C)C)n2)C1 ZINC001267617156 838036232 /nfs/dbraw/zinc/03/62/32/838036232.db2.gz JCUBSHYFXAQBJU-CYBMUJFWSA-N 1 2 348.451 0.530 20 30 ECEDLO C=CCOCC[NH+]1CC(NC(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC001267648742 838140538 /nfs/dbraw/zinc/14/05/38/838140538.db2.gz CPDOPLDAZIDWFV-UHFFFAOYSA-N 1 2 331.372 0.634 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2cccc3c2O[C@@H](C)C3)C1 ZINC001267686688 838249440 /nfs/dbraw/zinc/24/94/40/838249440.db2.gz SOVSUINCCJXBKL-ZDUSSCGKSA-N 1 2 343.427 0.974 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2ccc(C)c(C)n2)C1 ZINC001267687094 838250920 /nfs/dbraw/zinc/25/09/20/838250920.db2.gz XYFXPENYLZJEDO-AWEZNQCLSA-N 1 2 328.416 0.498 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)c2c(F)ccc(C)c2F)C1 ZINC001267690808 838261519 /nfs/dbraw/zinc/26/15/19/838261519.db2.gz GIYLQFCOKBAORN-UHFFFAOYSA-N 1 2 335.354 0.684 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2cccc3[nH]ccc32)C1 ZINC001267693348 838277034 /nfs/dbraw/zinc/27/70/34/838277034.db2.gz BGZMRZYVMMWBKC-ZDUSSCGKSA-N 1 2 338.411 0.967 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001267717721 838365861 /nfs/dbraw/zinc/36/58/61/838365861.db2.gz IJWAQMRRHSXSAW-INIZCTEOSA-N 1 2 346.431 0.549 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001267717721 838365867 /nfs/dbraw/zinc/36/58/67/838365867.db2.gz IJWAQMRRHSXSAW-INIZCTEOSA-N 1 2 346.431 0.549 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccc3c2CCOC3)C1 ZINC001267726961 838407414 /nfs/dbraw/zinc/40/74/14/838407414.db2.gz ZGJYKQCYIVWQEJ-AWEZNQCLSA-N 1 2 342.399 0.203 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cccc3c2CCOC3)C1 ZINC001267726961 838407419 /nfs/dbraw/zinc/40/74/19/838407419.db2.gz ZGJYKQCYIVWQEJ-AWEZNQCLSA-N 1 2 342.399 0.203 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001267734656 838427859 /nfs/dbraw/zinc/42/78/59/838427859.db2.gz SGHZDYRXKOXILQ-BBRMVZONSA-N 1 2 331.391 0.869 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001267734656 838427862 /nfs/dbraw/zinc/42/78/62/838427862.db2.gz SGHZDYRXKOXILQ-BBRMVZONSA-N 1 2 331.391 0.869 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2cnn(C)c2)C1 ZINC001267751066 838471026 /nfs/dbraw/zinc/47/10/26/838471026.db2.gz NQFZFABQUBPXGH-UKRRQHHQSA-N 1 2 333.436 0.091 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2cnn(C)c2)C1 ZINC001267751066 838471029 /nfs/dbraw/zinc/47/10/29/838471029.db2.gz NQFZFABQUBPXGH-UKRRQHHQSA-N 1 2 333.436 0.091 20 30 ECEDLO Cc1noc(C)c1CCC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267777445 838543560 /nfs/dbraw/zinc/54/35/60/838543560.db2.gz NRJQTAPNBRHHPH-CQSZACIVSA-N 1 2 347.419 0.397 20 30 ECEDLO Cc1noc(C)c1CCC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267777445 838543564 /nfs/dbraw/zinc/54/35/64/838543564.db2.gz NRJQTAPNBRHHPH-CQSZACIVSA-N 1 2 347.419 0.397 20 30 ECEDLO CCN(C(=O)c1cnccc1C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267784471 838560140 /nfs/dbraw/zinc/56/01/40/838560140.db2.gz KBDDBLROHZFTMP-CQSZACIVSA-N 1 2 329.404 0.566 20 30 ECEDLO CCN(C(=O)c1cnccc1C)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267784471 838560148 /nfs/dbraw/zinc/56/01/48/838560148.db2.gz KBDDBLROHZFTMP-CQSZACIVSA-N 1 2 329.404 0.566 20 30 ECEDLO CCO[C@H](C(=O)N(CC)[C@H]1CC[N@H+](CC(=O)NCC#N)C1)C1CC1 ZINC001267784876 838560966 /nfs/dbraw/zinc/56/09/66/838560966.db2.gz AVXWWEGJWFJSRQ-HOCLYGCPSA-N 1 2 336.436 0.364 20 30 ECEDLO CCO[C@H](C(=O)N(CC)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1)C1CC1 ZINC001267784876 838560973 /nfs/dbraw/zinc/56/09/73/838560973.db2.gz AVXWWEGJWFJSRQ-HOCLYGCPSA-N 1 2 336.436 0.364 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(OC)ncn2)C1 ZINC001267785170 838562381 /nfs/dbraw/zinc/56/23/81/838562381.db2.gz CRIUONXREPCNLR-CYBMUJFWSA-N 1 2 347.419 0.324 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(OC)ncn2)C1 ZINC001267785170 838562385 /nfs/dbraw/zinc/56/23/85/838562385.db2.gz CRIUONXREPCNLR-CYBMUJFWSA-N 1 2 347.419 0.324 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc(C)cn3)C2)nn1 ZINC001105144344 838677379 /nfs/dbraw/zinc/67/73/79/838677379.db2.gz CVLSVDZWOGBINX-UHFFFAOYSA-N 1 2 325.376 0.187 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)OCCCC)C2)nn1 ZINC001105187966 838738174 /nfs/dbraw/zinc/73/81/74/838738174.db2.gz IRIVZJYFMJFGFK-AWEZNQCLSA-N 1 2 333.436 0.980 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2ccnn2CC)C1 ZINC001267924457 838799548 /nfs/dbraw/zinc/79/95/48/838799548.db2.gz IGWPQRZYTPCMJR-UONOGXRCSA-N 1 2 331.420 0.235 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2ccnn2CC)C1 ZINC001267924457 838799553 /nfs/dbraw/zinc/79/95/53/838799553.db2.gz IGWPQRZYTPCMJR-UONOGXRCSA-N 1 2 331.420 0.235 20 30 ECEDLO CC(C)(C)C#CC(=O)NC[C@H]1C[N@H+](C[C@@H](O)Cn2cccn2)CCO1 ZINC001268021661 838998039 /nfs/dbraw/zinc/99/80/39/838998039.db2.gz IVXNVTKPORQELI-CVEARBPZSA-N 1 2 348.447 0.111 20 30 ECEDLO CC(C)(C)C#CC(=O)NC[C@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)CCO1 ZINC001268021661 838998046 /nfs/dbraw/zinc/99/80/46/838998046.db2.gz IVXNVTKPORQELI-CVEARBPZSA-N 1 2 348.447 0.111 20 30 ECEDLO C=CCOCC[N@@H+]1CCO[C@H](CNC(=O)Cn2cc(Cl)cn2)C1 ZINC001268024854 839016806 /nfs/dbraw/zinc/01/68/06/839016806.db2.gz DPFFXHKTLPNARK-CQSZACIVSA-N 1 2 342.827 0.556 20 30 ECEDLO C=CCOCC[N@H+]1CCO[C@H](CNC(=O)Cn2cc(Cl)cn2)C1 ZINC001268024854 839016810 /nfs/dbraw/zinc/01/68/10/839016810.db2.gz DPFFXHKTLPNARK-CQSZACIVSA-N 1 2 342.827 0.556 20 30 ECEDLO C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001268028518 839041980 /nfs/dbraw/zinc/04/19/80/839041980.db2.gz HVSPTNGBJDBZTE-ZBFHGGJFSA-N 1 2 348.447 0.534 20 30 ECEDLO C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001268028518 839041994 /nfs/dbraw/zinc/04/19/94/839041994.db2.gz HVSPTNGBJDBZTE-ZBFHGGJFSA-N 1 2 348.447 0.534 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)CNC(=O)Cc2ccccc2)C1 ZINC001268029848 839047935 /nfs/dbraw/zinc/04/79/35/839047935.db2.gz ZXYLWMWWPUVEPG-INIZCTEOSA-N 1 2 331.416 0.348 20 30 ECEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)CNC(=O)Cc2ccccc2)C1 ZINC001268029848 839047948 /nfs/dbraw/zinc/04/79/48/839047948.db2.gz ZXYLWMWWPUVEPG-INIZCTEOSA-N 1 2 331.416 0.348 20 30 ECEDLO C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000052442409 214128443 /nfs/dbraw/zinc/12/84/43/214128443.db2.gz BXALAGTXAVBGBO-GOEBONIOSA-N 1 2 343.431 0.759 20 30 ECEDLO COCCNC(=O)C[NH+]1CCN(Cc2cccc(F)c2C#N)CC1 ZINC000428465279 210260658 /nfs/dbraw/zinc/26/06/58/210260658.db2.gz SSBAJEJXPHFYQB-UHFFFAOYSA-N 1 2 334.395 0.578 20 30 ECEDLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC[N@@H+]1CCO ZINC000427416863 210197714 /nfs/dbraw/zinc/19/77/14/210197714.db2.gz WCAHJKMACBNCBP-LLVKDONJSA-N 1 2 334.351 0.161 20 30 ECEDLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC[N@H+]1CCO ZINC000427416863 210197717 /nfs/dbraw/zinc/19/77/17/210197717.db2.gz WCAHJKMACBNCBP-LLVKDONJSA-N 1 2 334.351 0.161 20 30 ECEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)NC[C@H]2CCCO2)CC1 ZINC000101728824 219159562 /nfs/dbraw/zinc/15/95/62/219159562.db2.gz AUMHUHKCEJJUHX-MRXNPFEDSA-N 1 2 328.416 0.975 20 30 ECEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000246075153 243189945 /nfs/dbraw/zinc/18/99/45/243189945.db2.gz FGQUHCHJFJLNRA-UONOGXRCSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000246075153 243189950 /nfs/dbraw/zinc/18/99/50/243189950.db2.gz FGQUHCHJFJLNRA-UONOGXRCSA-N 1 2 337.445 0.942 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(C)s2)CC1 ZINC000265078258 247182301 /nfs/dbraw/zinc/18/23/01/247182301.db2.gz XCFLBCQWZGUGTR-UHFFFAOYSA-N 1 2 333.457 0.883 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(C)s2)CC1 ZINC000265078258 247182303 /nfs/dbraw/zinc/18/23/03/247182303.db2.gz XCFLBCQWZGUGTR-UHFFFAOYSA-N 1 2 333.457 0.883 20 30 ECEDLO COCC(COC)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000413479742 208331715 /nfs/dbraw/zinc/33/17/15/208331715.db2.gz UARMMSHAWDSADG-UHFFFAOYSA-N 1 2 335.364 0.645 20 30 ECEDLO CS(=O)(=O)N1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000024509641 254484347 /nfs/dbraw/zinc/48/43/47/254484347.db2.gz KLFWCDIDBDPNOW-UHFFFAOYSA-N 1 2 342.446 0.526 20 30 ECEDLO CN(C)C(=O)c1ccc(NC(=O)CO[NH+]=C(N)[C@H]2CCCO2)cc1 ZINC000284454648 254560083 /nfs/dbraw/zinc/56/00/83/254560083.db2.gz QERCHECDQVZJHY-CYBMUJFWSA-N 1 2 334.376 0.795 20 30 ECEDLO C[C@H](CNC(=O)N(C)Cc1cnc(N(C)C)nc1)[NH+]1CCOCC1 ZINC000329498300 254609847 /nfs/dbraw/zinc/60/98/47/254609847.db2.gz JROHDTBDKLNTBW-CYBMUJFWSA-N 1 2 336.440 0.609 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000330373818 254634477 /nfs/dbraw/zinc/63/44/77/254634477.db2.gz LQUQIATZLCEFBI-KGLIPLIRSA-N 1 2 337.449 0.976 20 30 ECEDLO C[C@H](C[S@](C)=O)NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000330821220 254643720 /nfs/dbraw/zinc/64/37/20/254643720.db2.gz QRJXVSXPNNCPEF-SPSFWMDKSA-N 1 2 340.449 0.689 20 30 ECEDLO C=CCN1CC[C@H](N(C)C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)C1=O ZINC000377392859 254757833 /nfs/dbraw/zinc/75/78/33/254757833.db2.gz NWBOKUGLSPUZCP-CABCVRRESA-N 1 2 336.436 0.278 20 30 ECEDLO C=CCN1CC[C@H](N(C)C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C1=O ZINC000377392859 254757834 /nfs/dbraw/zinc/75/78/34/254757834.db2.gz NWBOKUGLSPUZCP-CABCVRRESA-N 1 2 336.436 0.278 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1COC(=O)NC(C)C ZINC000495688816 255033043 /nfs/dbraw/zinc/03/30/43/255033043.db2.gz QFVPEJARBIDACQ-CYBMUJFWSA-N 1 2 340.424 0.987 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1COC(=O)NC(C)C ZINC000495688816 255033045 /nfs/dbraw/zinc/03/30/45/255033045.db2.gz QFVPEJARBIDACQ-CYBMUJFWSA-N 1 2 340.424 0.987 20 30 ECEDLO C=CCOCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496554171 255109936 /nfs/dbraw/zinc/10/99/36/255109936.db2.gz XZVJCPQKCCNYIW-CYBMUJFWSA-N 1 2 327.425 0.856 20 30 ECEDLO C=CCOCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496554171 255109937 /nfs/dbraw/zinc/10/99/37/255109937.db2.gz XZVJCPQKCCNYIW-CYBMUJFWSA-N 1 2 327.425 0.856 20 30 ECEDLO COC(=O)[C@@H]1CN(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C(=O)O1 ZINC000496565832 255110618 /nfs/dbraw/zinc/11/06/18/255110618.db2.gz CLLXZTCRYDIRBU-OLZOCXBDSA-N 1 2 346.343 0.358 20 30 ECEDLO COC(=O)[C@@H]1CN(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C(=O)O1 ZINC000496565832 255110619 /nfs/dbraw/zinc/11/06/19/255110619.db2.gz CLLXZTCRYDIRBU-OLZOCXBDSA-N 1 2 346.343 0.358 20 30 ECEDLO C#CCOc1ccccc1CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000265186194 533194491 /nfs/dbraw/zinc/19/44/91/533194491.db2.gz NTMZMWBIMFAOMA-MRXNPFEDSA-N 1 2 330.432 0.744 20 30 ECEDLO C#CCOc1ccccc1CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000265186194 533194495 /nfs/dbraw/zinc/19/44/95/533194495.db2.gz NTMZMWBIMFAOMA-MRXNPFEDSA-N 1 2 330.432 0.744 20 30 ECEDLO CCN1CCN(CC(=O)NC(=O)NC(C)(C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330994378 285312036 /nfs/dbraw/zinc/31/20/36/285312036.db2.gz OAPCDVYBPYZOTG-GFCCVEGCSA-N 1 2 336.440 0.917 20 30 ECEDLO N#Cc1cc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)ccn1 ZINC000192777015 165048486 /nfs/dbraw/zinc/04/84/86/165048486.db2.gz HEYVDSWZQUVTNU-UHFFFAOYSA-N 1 2 337.387 0.295 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)C[C@H]1C ZINC000122419751 222084449 /nfs/dbraw/zinc/08/44/49/222084449.db2.gz JHAQPCLRHSYOCQ-ZIAGYGMSSA-N 1 2 337.445 0.775 20 30 ECEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)C[C@H]1C ZINC000122419751 222084452 /nfs/dbraw/zinc/08/44/52/222084452.db2.gz JHAQPCLRHSYOCQ-ZIAGYGMSSA-N 1 2 337.445 0.775 20 30 ECEDLO CC[C@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CC[N@@H+]1C[C@@H](C)O ZINC000122733263 222148338 /nfs/dbraw/zinc/14/83/38/222148338.db2.gz RVKMZKMGSWPBIL-OCCSQVGLSA-N 1 2 338.433 0.419 20 30 ECEDLO CC[C@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CC[N@H+]1C[C@@H](C)O ZINC000122733263 222148342 /nfs/dbraw/zinc/14/83/42/222148342.db2.gz RVKMZKMGSWPBIL-OCCSQVGLSA-N 1 2 338.433 0.419 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000283499466 264123379 /nfs/dbraw/zinc/12/33/79/264123379.db2.gz AOLQZYWYVDMCRG-KGLIPLIRSA-N 1 2 344.415 0.572 20 30 ECEDLO CC1(C)C[N@H+](CCNC(=O)C(=O)NCc2cccc(C#N)c2)CCO1 ZINC000283921058 264168884 /nfs/dbraw/zinc/16/88/84/264168884.db2.gz IXUQZYGDAHQMMI-UHFFFAOYSA-N 1 2 344.415 0.401 20 30 ECEDLO CC1(C)C[N@@H+](CCNC(=O)C(=O)NCc2cccc(C#N)c2)CCO1 ZINC000283921058 264168888 /nfs/dbraw/zinc/16/88/88/264168888.db2.gz IXUQZYGDAHQMMI-UHFFFAOYSA-N 1 2 344.415 0.401 20 30 ECEDLO C[N@@H+]1CC[C@@H]2OCCN(CCS(=O)(=O)c3ccc(C#N)cc3)[C@@H]2C1 ZINC000284795659 264239149 /nfs/dbraw/zinc/23/91/49/264239149.db2.gz JKDCGGRJVDPIAZ-SJORKVTESA-N 1 2 349.456 0.737 20 30 ECEDLO C[N@H+]1CC[C@@H]2OCCN(CCS(=O)(=O)c3ccc(C#N)cc3)[C@@H]2C1 ZINC000284795659 264239150 /nfs/dbraw/zinc/23/91/50/264239150.db2.gz JKDCGGRJVDPIAZ-SJORKVTESA-N 1 2 349.456 0.737 20 30 ECEDLO N#Cc1cccc([C@@H]2CN(C(=O)NCC[NH+]3CCOCC3)CCO2)c1 ZINC000367075253 270007403 /nfs/dbraw/zinc/00/74/03/270007403.db2.gz HYYZGBRDSVNAMJ-KRWDZBQOSA-N 1 2 344.415 0.973 20 30 ECEDLO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367885651 270007532 /nfs/dbraw/zinc/00/75/32/270007532.db2.gz LUNIAHWMDDELBE-SNVBAGLBSA-N 1 2 346.315 0.694 20 30 ECEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000332339660 266153462 /nfs/dbraw/zinc/15/34/62/266153462.db2.gz DTMKFQLLDGVEGU-HNNXBMFYSA-N 1 2 329.404 0.323 20 30 ECEDLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000332339660 266153463 /nfs/dbraw/zinc/15/34/63/266153463.db2.gz DTMKFQLLDGVEGU-HNNXBMFYSA-N 1 2 329.404 0.323 20 30 ECEDLO CCNC(=O)CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000339527447 266163851 /nfs/dbraw/zinc/16/38/51/266163851.db2.gz BSULTPPPGPAFQM-UHFFFAOYSA-N 1 2 329.404 0.522 20 30 ECEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000289275601 267079641 /nfs/dbraw/zinc/07/96/41/267079641.db2.gz YRZHZPHLCHTFTM-CZUORRHYSA-N 1 2 342.399 0.818 20 30 ECEDLO C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355110669 267133569 /nfs/dbraw/zinc/13/35/69/267133569.db2.gz WUMKFOCOPJYAKN-GDBMZVCRSA-N 1 2 343.431 0.759 20 30 ECEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000374046520 267140908 /nfs/dbraw/zinc/14/09/08/267140908.db2.gz VSLNTEKJAPHYOB-KCPJHIHWSA-N 1 2 328.372 0.475 20 30 ECEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000374046520 267140909 /nfs/dbraw/zinc/14/09/09/267140909.db2.gz VSLNTEKJAPHYOB-KCPJHIHWSA-N 1 2 328.372 0.475 20 30 ECEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000374046518 267141031 /nfs/dbraw/zinc/14/10/31/267141031.db2.gz VSLNTEKJAPHYOB-BYCMXARLSA-N 1 2 328.372 0.475 20 30 ECEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000374046518 267141033 /nfs/dbraw/zinc/14/10/33/267141033.db2.gz VSLNTEKJAPHYOB-BYCMXARLSA-N 1 2 328.372 0.475 20 30 ECEDLO C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000340508962 267250994 /nfs/dbraw/zinc/25/09/94/267250994.db2.gz BWIIGBHZBFYMFM-JSGCOSHPSA-N 1 2 343.387 0.213 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cc(C#N)cs1 ZINC000529749355 267332654 /nfs/dbraw/zinc/33/26/54/267332654.db2.gz AFOCJAGAWDELPY-MRXNPFEDSA-N 1 2 335.429 0.965 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cc(C#N)cs1 ZINC000529749355 267332657 /nfs/dbraw/zinc/33/26/57/267332657.db2.gz AFOCJAGAWDELPY-MRXNPFEDSA-N 1 2 335.429 0.965 20 30 ECEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1 ZINC000363084154 268138971 /nfs/dbraw/zinc/13/89/71/268138971.db2.gz GEHQZCXBBMTKIW-OAHLLOKOSA-N 1 2 327.388 0.986 20 30 ECEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1 ZINC000363084154 268138972 /nfs/dbraw/zinc/13/89/72/268138972.db2.gz GEHQZCXBBMTKIW-OAHLLOKOSA-N 1 2 327.388 0.986 20 30 ECEDLO N#Cc1ccc(O[C@@H]2CCN(C(=O)NCC[NH+]3CCOCC3)C2)nc1 ZINC000292800838 268180807 /nfs/dbraw/zinc/18/08/07/268180807.db2.gz HYXDARBQKNMMQI-OAHLLOKOSA-N 1 2 345.403 0.448 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](n3cncn3)C2)nc1 ZINC000367377653 268188357 /nfs/dbraw/zinc/18/83/57/268188357.db2.gz LKQWMRJVZFVHQJ-CYBMUJFWSA-N 1 2 332.389 0.265 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](n3cncn3)C2)nc1 ZINC000367377653 268188360 /nfs/dbraw/zinc/18/83/60/268188360.db2.gz LKQWMRJVZFVHQJ-CYBMUJFWSA-N 1 2 332.389 0.265 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)o1 ZINC000287553155 268191599 /nfs/dbraw/zinc/19/15/99/268191599.db2.gz WZHKFSZQHNJPBC-ZDUSSCGKSA-N 1 2 339.417 0.884 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@]3(CNC(=O)C3)C2)c1 ZINC000369376385 268275766 /nfs/dbraw/zinc/27/57/66/268275766.db2.gz VAPPAWJIGZZNBP-INIZCTEOSA-N 1 2 333.413 0.544 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c1 ZINC000369376385 268275767 /nfs/dbraw/zinc/27/57/67/268275767.db2.gz VAPPAWJIGZZNBP-INIZCTEOSA-N 1 2 333.413 0.544 20 30 ECEDLO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ncns2)CC1 ZINC000528522007 268296286 /nfs/dbraw/zinc/29/62/86/268296286.db2.gz QQOQBBZQKNBHCX-AWEZNQCLSA-N 1 2 345.428 0.972 20 30 ECEDLO N#Cc1ccsc1NC(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000340014294 268305616 /nfs/dbraw/zinc/30/56/16/268305616.db2.gz DVKMGMXHYILJEK-UHFFFAOYSA-N 1 2 344.400 0.626 20 30 ECEDLO N#Cc1nccnc1NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000301197173 268331698 /nfs/dbraw/zinc/33/16/98/268331698.db2.gz USISNUCTLOBWOW-UHFFFAOYSA-N 1 2 337.387 0.894 20 30 ECEDLO N#Cc1ncn(CC(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)n1 ZINC000338263062 268333768 /nfs/dbraw/zinc/33/37/68/268333768.db2.gz XFGFXFITCDTLRV-CYBMUJFWSA-N 1 2 330.779 0.976 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccnnc2C)[C@@H](n2ccnn2)C1 ZINC001069970743 790260363 /nfs/dbraw/zinc/26/03/63/790260363.db2.gz YFBREEJMJGHZTJ-CABCVRRESA-N 1 2 325.376 0.055 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccnnc2C)[C@@H](n2ccnn2)C1 ZINC001069970743 790260366 /nfs/dbraw/zinc/26/03/66/790260366.db2.gz YFBREEJMJGHZTJ-CABCVRRESA-N 1 2 325.376 0.055 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN([C@H](C(=O)OC)c2ccc(F)cc2)CC1 ZINC000491615572 277691217 /nfs/dbraw/zinc/69/12/17/277691217.db2.gz FFFLAIYTOBXREA-KRWDZBQOSA-N 1 2 347.390 0.407 20 30 ECEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC1([S@](C)=O)CCC1 ZINC000329234331 278015611 /nfs/dbraw/zinc/01/56/11/278015611.db2.gz MQSPXKULFSNJSV-XXAQJILISA-N 1 2 343.493 0.997 20 30 ECEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@H]3CCC(=O)N(C)C3)C2)CC1 ZINC000329804446 279366501 /nfs/dbraw/zinc/36/65/01/279366501.db2.gz ABXUOFPGDSKBQN-LSDHHAIUSA-N 1 2 337.468 0.233 20 30 ECEDLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000188314510 288147561 /nfs/dbraw/zinc/14/75/61/288147561.db2.gz PNNAAYJVDNHPBG-GFCCVEGCSA-N 1 2 338.433 0.419 20 30 ECEDLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000188314510 288147563 /nfs/dbraw/zinc/14/75/63/288147563.db2.gz PNNAAYJVDNHPBG-GFCCVEGCSA-N 1 2 338.433 0.419 20 30 ECEDLO CCN(CC)C(=O)C[NH+]1CCN([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000073022835 436066581 /nfs/dbraw/zinc/06/65/81/436066581.db2.gz RKVPVPJIUGGTSG-OAHLLOKOSA-N 1 2 337.468 0.233 20 30 ECEDLO CCN(CC)C(=O)CN1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000073022835 436066583 /nfs/dbraw/zinc/06/65/83/436066583.db2.gz RKVPVPJIUGGTSG-OAHLLOKOSA-N 1 2 337.468 0.233 20 30 ECEDLO N#CCN1CCC(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000074134959 436108654 /nfs/dbraw/zinc/10/86/54/436108654.db2.gz TYPBMJYAAUOMDZ-MRXNPFEDSA-N 1 2 335.452 0.481 20 30 ECEDLO Cn1cc[nH+]c1[C@H](NC(=O)Cn1cnc(C#N)n1)c1ccc(F)cc1 ZINC000014144604 436071494 /nfs/dbraw/zinc/07/14/94/436071494.db2.gz FVKNLSHWXDZGRI-OAHLLOKOSA-N 1 2 339.334 0.928 20 30 ECEDLO CNC(=O)NC(=O)[C@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023258379 436125611 /nfs/dbraw/zinc/12/56/11/436125611.db2.gz QZPLLHHGBIQSRI-ZDUSSCGKSA-N 1 2 329.404 0.520 20 30 ECEDLO CNC(=O)NC(=O)[C@H](C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000023258379 436125614 /nfs/dbraw/zinc/12/56/14/436125614.db2.gz QZPLLHHGBIQSRI-ZDUSSCGKSA-N 1 2 329.404 0.520 20 30 ECEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000029229129 436198623 /nfs/dbraw/zinc/19/86/23/436198623.db2.gz NBIDDWXEZHZWPS-UHFFFAOYSA-N 1 2 343.387 0.695 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000076949917 436221658 /nfs/dbraw/zinc/22/16/58/436221658.db2.gz LKRDUWXLODYGCW-IPYPFGDCSA-N 1 2 344.481 0.443 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000076949917 436221660 /nfs/dbraw/zinc/22/16/60/436221660.db2.gz LKRDUWXLODYGCW-IPYPFGDCSA-N 1 2 344.481 0.443 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC000042627249 436310147 /nfs/dbraw/zinc/31/01/47/436310147.db2.gz ORSPGUFLBDJVLU-KRWDZBQOSA-N 1 2 348.491 0.816 20 30 ECEDLO Cc1cc(NC(=O)CCN(CCC#N)CC[NH+]2CCOCC2)no1 ZINC000081158047 436337249 /nfs/dbraw/zinc/33/72/49/436337249.db2.gz WUJABHIWHKTKOB-UHFFFAOYSA-N 1 2 335.408 0.860 20 30 ECEDLO Cc1cc(NC(=O)CC[N@H+](CCC#N)CCN2CCOCC2)no1 ZINC000081158047 436337253 /nfs/dbraw/zinc/33/72/53/436337253.db2.gz WUJABHIWHKTKOB-UHFFFAOYSA-N 1 2 335.408 0.860 20 30 ECEDLO Cc1cc(NC(=O)CC[N@@H+](CCC#N)CCN2CCOCC2)no1 ZINC000081158047 436337256 /nfs/dbraw/zinc/33/72/56/436337256.db2.gz WUJABHIWHKTKOB-UHFFFAOYSA-N 1 2 335.408 0.860 20 30 ECEDLO CCNC(=O)C[NH+]1CCN([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000083133953 436368486 /nfs/dbraw/zinc/36/84/86/436368486.db2.gz SHFIVIKHOKWNGR-KRWDZBQOSA-N 1 2 344.415 0.526 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(C)c(C(=O)N(C)C)c2)CC1 ZINC000085280857 436388443 /nfs/dbraw/zinc/38/84/43/436388443.db2.gz FIVXNQNFNCQTGW-UHFFFAOYSA-N 1 2 342.443 0.886 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(-n3cnnn3)ccc2C)CC1 ZINC000085272670 436388548 /nfs/dbraw/zinc/38/85/48/436388548.db2.gz BFHUTODEMYFQSG-UHFFFAOYSA-N 1 2 339.403 0.160 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H](O)c2ccccc2)CC1 ZINC000091442387 436450028 /nfs/dbraw/zinc/45/00/28/436450028.db2.gz ZDKFEADGKCTUEI-KRWDZBQOSA-N 1 2 343.427 0.394 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](O)c2ccccc2)CC1 ZINC000091442387 436450031 /nfs/dbraw/zinc/45/00/31/436450031.db2.gz ZDKFEADGKCTUEI-KRWDZBQOSA-N 1 2 343.427 0.394 20 30 ECEDLO CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000092619172 436473619 /nfs/dbraw/zinc/47/36/19/436473619.db2.gz DRWJYSJVDLSZKT-CVEARBPZSA-N 1 2 349.479 0.279 20 30 ECEDLO CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000092619172 436473622 /nfs/dbraw/zinc/47/36/22/436473622.db2.gz DRWJYSJVDLSZKT-CVEARBPZSA-N 1 2 349.479 0.279 20 30 ECEDLO COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000050165640 436473616 /nfs/dbraw/zinc/47/36/16/436473616.db2.gz BHHKTZADHKPLTF-LBPRGKRZSA-N 1 2 346.387 0.342 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CC(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000053423468 436532264 /nfs/dbraw/zinc/53/22/64/436532264.db2.gz KQNOJZJOBYCNSM-HZPDHXFCSA-N 1 2 336.480 0.696 20 30 ECEDLO N#Cc1cccc(OC2CC[NH+](Cc3nc(N)nc(N)n3)CC2)c1 ZINC000104714596 436559840 /nfs/dbraw/zinc/55/98/40/436559840.db2.gz CCSLSLILABTYFY-UHFFFAOYSA-N 1 2 325.376 0.951 20 30 ECEDLO Cc1cc(C)n(C[C@H]2C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO2)n1 ZINC000105893459 436585026 /nfs/dbraw/zinc/58/50/26/436585026.db2.gz IHPUIIBAXJLESJ-JKSUJKDBSA-N 1 2 333.436 0.961 20 30 ECEDLO Cc1cc(C)n(C[C@H]2C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO2)n1 ZINC000105893459 436585029 /nfs/dbraw/zinc/58/50/29/436585029.db2.gz IHPUIIBAXJLESJ-JKSUJKDBSA-N 1 2 333.436 0.961 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3CF)CC2)o1 ZINC000550410065 302345764 /nfs/dbraw/zinc/34/57/64/302345764.db2.gz KODZNGSKOVBVKR-ZDUSSCGKSA-N 1 2 335.383 0.937 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@H]3CF)CC2)o1 ZINC000550410065 302345765 /nfs/dbraw/zinc/34/57/65/302345765.db2.gz KODZNGSKOVBVKR-ZDUSSCGKSA-N 1 2 335.383 0.937 20 30 ECEDLO C=CCCO[C@H](C)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000194498025 436666947 /nfs/dbraw/zinc/66/69/47/436666947.db2.gz DAEVRIUQHDVFIA-CYBMUJFWSA-N 1 2 344.419 0.993 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](OCC)C(=C)C)CC1 ZINC000270017846 436669999 /nfs/dbraw/zinc/66/99/99/436669999.db2.gz CRGMCICDWDRDFZ-MRXNPFEDSA-N 1 2 335.448 0.641 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](OCC)C(=C)C)CC1 ZINC000270017846 436670002 /nfs/dbraw/zinc/67/00/02/436670002.db2.gz CRGMCICDWDRDFZ-MRXNPFEDSA-N 1 2 335.448 0.641 20 30 ECEDLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC000068832235 436756043 /nfs/dbraw/zinc/75/60/43/436756043.db2.gz YKHTZNVIERVFBZ-INIZCTEOSA-N 1 2 342.443 0.923 20 30 ECEDLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000155724314 436801299 /nfs/dbraw/zinc/80/12/99/436801299.db2.gz QQHPDMHLOGQDFK-RISCZKNCSA-N 1 2 336.417 0.509 20 30 ECEDLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000155724314 436801302 /nfs/dbraw/zinc/80/13/02/436801302.db2.gz QQHPDMHLOGQDFK-RISCZKNCSA-N 1 2 336.417 0.509 20 30 ECEDLO CS(=O)(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000274178859 436803332 /nfs/dbraw/zinc/80/33/32/436803332.db2.gz OPBDRGVPBGTGTO-ZBFHGGJFSA-N 1 2 338.429 0.807 20 30 ECEDLO CS(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000274178859 436803336 /nfs/dbraw/zinc/80/33/36/436803336.db2.gz OPBDRGVPBGTGTO-ZBFHGGJFSA-N 1 2 338.429 0.807 20 30 ECEDLO C#CC[N@@H+](CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)C1CCCC1 ZINC000155864098 436805642 /nfs/dbraw/zinc/80/56/42/436805642.db2.gz RYKWMTOTQSODCQ-OAHLLOKOSA-N 1 2 326.462 0.900 20 30 ECEDLO C#CC[N@H+](CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)C1CCCC1 ZINC000155864098 436805644 /nfs/dbraw/zinc/80/56/44/436805644.db2.gz RYKWMTOTQSODCQ-OAHLLOKOSA-N 1 2 326.462 0.900 20 30 ECEDLO C#CCOc1ccccc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000274734796 436867212 /nfs/dbraw/zinc/86/72/12/436867212.db2.gz XGHIFAFLLCQHPQ-CQSZACIVSA-N 1 2 345.399 0.474 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000249725334 436826218 /nfs/dbraw/zinc/82/62/18/436826218.db2.gz PLXRBFUKAPGCMX-ZIAGYGMSSA-N 1 2 329.466 0.589 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000249725334 436826221 /nfs/dbraw/zinc/82/62/21/436826221.db2.gz PLXRBFUKAPGCMX-ZIAGYGMSSA-N 1 2 329.466 0.589 20 30 ECEDLO COCCNC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000157590251 436829314 /nfs/dbraw/zinc/82/93/14/436829314.db2.gz CAQNVDDXHSWNTA-UHFFFAOYSA-N 1 2 347.375 0.351 20 30 ECEDLO C=CCn1c(S[C@@H](C)C(=O)N2CC[NH+](CC)CC2)n[nH]c1=O ZINC000163370404 436920734 /nfs/dbraw/zinc/92/07/34/436920734.db2.gz YPTWZCBJDHOIFC-NSHDSACASA-N 1 2 325.438 0.402 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000134223527 436893482 /nfs/dbraw/zinc/89/34/82/436893482.db2.gz NAVUDLTXHLVUDQ-CQSZACIVSA-N 1 2 331.420 0.904 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1n[nH]c2c1CCCC2 ZINC000162513699 436908702 /nfs/dbraw/zinc/90/87/02/436908702.db2.gz XRVYEVCAKAKSTL-UHFFFAOYSA-N 1 2 331.420 0.977 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCCCCC#N)CC1 ZINC000171449773 436979365 /nfs/dbraw/zinc/97/93/65/436979365.db2.gz YKWVVGWQPBBULE-UHFFFAOYSA-N 1 2 342.407 0.889 20 30 ECEDLO N#CCCN(CCC#N)C(=O)C[N@@H+](CCCO)Cc1ccccn1 ZINC000280935574 436934848 /nfs/dbraw/zinc/93/48/48/436934848.db2.gz HLTMZLYECSGFTO-UHFFFAOYSA-N 1 2 329.404 0.922 20 30 ECEDLO N#CCCN(CCC#N)C(=O)C[N@H+](CCCO)Cc1ccccn1 ZINC000280935574 436934849 /nfs/dbraw/zinc/93/48/49/436934849.db2.gz HLTMZLYECSGFTO-UHFFFAOYSA-N 1 2 329.404 0.922 20 30 ECEDLO 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/nfs/dbraw/zinc/35/72/93/437357293.db2.gz YGBIRGPZPUWQTK-RDBSUJKOSA-N 1 2 348.451 0.645 20 30 ECEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2C[C@H](O)[C@@H](O)C2)c1 ZINC000278960073 437360617 /nfs/dbraw/zinc/36/06/17/437360617.db2.gz ZOCRUGWTXCTAMB-XIRDDKMYSA-N 1 2 331.416 0.976 20 30 ECEDLO CS(=O)(=O)N1CCC[C@@H](NC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000329429257 437367538 /nfs/dbraw/zinc/36/75/38/437367538.db2.gz GXTNPDXNXLOGNU-CYBMUJFWSA-N 1 2 345.465 0.622 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(c2c([N+](=O)[O-])nc(C)n2CC)CC1 ZINC000288980806 437372741 /nfs/dbraw/zinc/37/27/41/437372741.db2.gz VEKCSJGFXCOFHK-UHFFFAOYSA-N 1 2 348.407 0.381 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2c([N+](=O)[O-])nc(C)n2CC)CC1 ZINC000288980806 437372746 /nfs/dbraw/zinc/37/27/46/437372746.db2.gz VEKCSJGFXCOFHK-UHFFFAOYSA-N 1 2 348.407 0.381 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000181585020 437324092 /nfs/dbraw/zinc/32/40/92/437324092.db2.gz MCGPZZDOXDXMAZ-KBPBESRZSA-N 1 2 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/nfs/dbraw/zinc/47/09/20/437470920.db2.gz LNYKWJURXMHYMT-GFCCVEGCSA-N 1 2 332.408 0.940 20 30 ECEDLO Cc1nn(C)c(-n2cccn2)c1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330221347 437470923 /nfs/dbraw/zinc/47/09/23/437470923.db2.gz LNYKWJURXMHYMT-GFCCVEGCSA-N 1 2 332.408 0.940 20 30 ECEDLO CO[C@@H]1CC[C@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000329927566 437433378 /nfs/dbraw/zinc/43/33/78/437433378.db2.gz XCERHJCLOLWRTC-UONOGXRCSA-N 1 2 337.424 1.109 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCCn3c4ccccc4[nH]c3=O)C[C@H]21 ZINC000329947723 437435566 /nfs/dbraw/zinc/43/55/66/437435566.db2.gz YPDQUVTURFRJCD-HUUCEWRRSA-N 1 2 345.403 0.671 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCCn3c4ccccc4[nH]c3=O)C[C@H]21 ZINC000329947723 437435569 /nfs/dbraw/zinc/43/55/69/437435569.db2.gz YPDQUVTURFRJCD-HUUCEWRRSA-N 1 2 345.403 0.671 20 30 ECEDLO N#CCCOCC[N@@H+]1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000339045335 437437784 /nfs/dbraw/zinc/43/77/84/437437784.db2.gz UFPSGHJMJXFEJZ-CQSZACIVSA-N 1 2 343.383 0.914 20 30 ECEDLO N#CCCOCC[N@H+]1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000339045335 437437789 /nfs/dbraw/zinc/43/77/89/437437789.db2.gz UFPSGHJMJXFEJZ-CQSZACIVSA-N 1 2 343.383 0.914 20 30 ECEDLO CCNC(=O)N1CC[C@H](NC(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000329976116 437438812 /nfs/dbraw/zinc/43/88/12/437438812.db2.gz FDECAMLIAABHQL-ZDUSSCGKSA-N 1 2 341.456 0.609 20 30 ECEDLO CCNC(=O)N1CC[C@H](NC(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000329976116 437438817 /nfs/dbraw/zinc/43/88/17/437438817.db2.gz FDECAMLIAABHQL-ZDUSSCGKSA-N 1 2 341.456 0.609 20 30 ECEDLO C=C[C@H](CO)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000290065432 437461648 /nfs/dbraw/zinc/46/16/48/437461648.db2.gz NLCMHAGVTTZBTD-CQSZACIVSA-N 1 2 333.388 0.120 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000330372077 437493899 /nfs/dbraw/zinc/49/38/99/437493899.db2.gz ACPIYXHCGOSWGP-CYBMUJFWSA-N 1 2 332.470 0.413 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NCC[N@H+]1CCOCC1(C)C ZINC000330372077 437493906 /nfs/dbraw/zinc/49/39/06/437493906.db2.gz ACPIYXHCGOSWGP-CYBMUJFWSA-N 1 2 332.470 0.413 20 30 ECEDLO C[C@@H](OCC(=O)N(CCC#N)CC[NH+]1CCOCC1)c1nccn1C ZINC000354092435 437526510 /nfs/dbraw/zinc/52/65/10/437526510.db2.gz NYFBAYRGFNXVLC-OAHLLOKOSA-N 1 2 349.435 0.572 20 30 ECEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@H](CNC(N)=O)C1 ZINC000330507292 437533939 /nfs/dbraw/zinc/53/39/39/437533939.db2.gz FAZRWVSPFRZTOQ-CYBMUJFWSA-N 1 2 341.456 0.806 20 30 ECEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@H](CNC(N)=O)C1 ZINC000330507292 437533943 /nfs/dbraw/zinc/53/39/43/437533943.db2.gz FAZRWVSPFRZTOQ-CYBMUJFWSA-N 1 2 341.456 0.806 20 30 ECEDLO CNS(=O)(=O)c1cccc(C(=O)NC[C@H](C)[NH+]2CCOCC2)c1 ZINC000330537434 437543816 /nfs/dbraw/zinc/54/38/16/437543816.db2.gz FRBZUUVKTIQUHL-LBPRGKRZSA-N 1 2 341.433 0.620 20 30 ECEDLO CNS(=O)(=O)c1cccc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)c1 ZINC000330537433 437544622 /nfs/dbraw/zinc/54/46/22/437544622.db2.gz FRBZUUVKTIQUHL-GFCCVEGCSA-N 1 2 341.433 0.620 20 30 ECEDLO C=CCN(C(=O)[C@H](C)C[NH+]1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000330592853 437561316 /nfs/dbraw/zinc/56/13/16/437561316.db2.gz YRRPUIHVVXPKIT-ZIAGYGMSSA-N 1 2 330.450 0.156 20 30 ECEDLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)Cc1c(F)cccc1C#N ZINC000354522879 437631530 /nfs/dbraw/zinc/63/15/30/437631530.db2.gz VHDGPCOERXOXOQ-CQSZACIVSA-N 1 2 330.319 0.863 20 30 ECEDLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)Cc1c(F)cccc1C#N ZINC000354522879 437631536 /nfs/dbraw/zinc/63/15/36/437631536.db2.gz VHDGPCOERXOXOQ-CQSZACIVSA-N 1 2 330.319 0.863 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000340393735 437640867 /nfs/dbraw/zinc/64/08/67/437640867.db2.gz KMUAXKNKTBLVPE-LBPRGKRZSA-N 1 2 331.376 0.071 20 30 ECEDLO C=CCCOCCNC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000361104399 437656929 /nfs/dbraw/zinc/65/69/29/437656929.db2.gz SSBJKNFTCSPRGU-AWEZNQCLSA-N 1 2 349.435 0.803 20 30 ECEDLO CC(C)CNC(=O)NC(=O)CN1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000330963327 437659167 /nfs/dbraw/zinc/65/91/67/437659167.db2.gz CPJFACTXAZBJEG-CYBMUJFWSA-N 1 2 336.440 0.395 20 30 ECEDLO N#Cc1ccc2[nH+]cc(CN3CCN(c4nc(N)ns4)CC3)n2c1 ZINC000355082659 437668806 /nfs/dbraw/zinc/66/88/06/437668806.db2.gz RCWLPRYDWKEGEQ-UHFFFAOYSA-N 1 2 340.416 0.962 20 30 ECEDLO C[C@H](C[S@](C)=O)NC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000331049957 437678916 /nfs/dbraw/zinc/67/89/16/437678916.db2.gz XLYRJPYSADEJDN-DMDKVIGKSA-N 1 2 327.454 0.390 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H](O)Cc1ccccc1 ZINC000355462833 437712853 /nfs/dbraw/zinc/71/28/53/437712853.db2.gz YIKIPKFAWHNSHU-QGZVFWFLSA-N 1 2 331.416 0.664 20 30 ECEDLO N#Cc1cccc([C@@H]2C[N@H+](CCCN3C(=O)CNC3=O)CCO2)c1 ZINC000362058069 437714218 /nfs/dbraw/zinc/71/42/18/437714218.db2.gz CHSVZIYJHBLNHG-HNNXBMFYSA-N 1 2 328.372 0.873 20 30 ECEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCCN3C(=O)CNC3=O)CCO2)c1 ZINC000362058069 437714220 /nfs/dbraw/zinc/71/42/20/437714220.db2.gz CHSVZIYJHBLNHG-HNNXBMFYSA-N 1 2 328.372 0.873 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)NCCCC#N)CC1 ZINC000343991287 437714663 /nfs/dbraw/zinc/71/46/63/437714663.db2.gz KVNQVPHEGHEAFA-CQSZACIVSA-N 1 2 339.440 0.159 20 30 ECEDLO COC[C@@H]1CN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C[C@@H](C)O1 ZINC000331257587 437727839 /nfs/dbraw/zinc/72/78/39/437727839.db2.gz DDXJZJQMIZDORD-KBXIAJHMSA-N 1 2 329.441 0.745 20 30 ECEDLO COC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)C[C@@H](C)O1 ZINC000331263779 437728785 /nfs/dbraw/zinc/72/87/85/437728785.db2.gz OCYTZCDVEKERGW-BBBLOLIVSA-N 1 2 341.330 0.703 20 30 ECEDLO COC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)C[C@@H](C)O1 ZINC000331263779 437728789 /nfs/dbraw/zinc/72/87/89/437728789.db2.gz OCYTZCDVEKERGW-BBBLOLIVSA-N 1 2 341.330 0.703 20 30 ECEDLO C=CCOCCCN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000355945148 437739020 /nfs/dbraw/zinc/73/90/20/437739020.db2.gz SHCUNBPYCGEXPA-UHFFFAOYSA-N 1 2 339.392 0.092 20 30 ECEDLO C[C@@H](C#N)CN(C)C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000340805218 437739662 /nfs/dbraw/zinc/73/96/62/437739662.db2.gz WQWQUHMKYOXENG-QWHCGFSZSA-N 1 2 332.408 0.712 20 30 ECEDLO C=CC[C@@H](CO)CNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000340911622 437757524 /nfs/dbraw/zinc/75/75/24/437757524.db2.gz IVXXEJXYHBVDRK-OAHLLOKOSA-N 1 2 334.420 0.902 20 30 ECEDLO COC(=O)CN1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000363332265 437781695 /nfs/dbraw/zinc/78/16/95/437781695.db2.gz WGXVEWYDSRIRBM-UHFFFAOYSA-N 1 2 330.388 0.677 20 30 ECEDLO COC(=O)CN1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000363332265 437781700 /nfs/dbraw/zinc/78/17/00/437781700.db2.gz WGXVEWYDSRIRBM-UHFFFAOYSA-N 1 2 330.388 0.677 20 30 ECEDLO N#CC1(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CCOCC1 ZINC000363339602 437784779 /nfs/dbraw/zinc/78/47/79/437784779.db2.gz ZNUDQYHWDAEYPA-UHFFFAOYSA-N 1 2 348.447 0.463 20 30 ECEDLO N#CC1(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CCOCC1 ZINC000363339602 437784785 /nfs/dbraw/zinc/78/47/85/437784785.db2.gz ZNUDQYHWDAEYPA-UHFFFAOYSA-N 1 2 348.447 0.463 20 30 ECEDLO CNS(=O)(=O)C1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000363626646 437801491 /nfs/dbraw/zinc/80/14/91/437801491.db2.gz CYXZRPGHYLOWOC-UHFFFAOYSA-N 1 2 342.465 0.343 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364337878 437814871 /nfs/dbraw/zinc/81/48/71/437814871.db2.gz NTBBUYZHUFEBDD-NSHDSACASA-N 1 2 336.352 0.440 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364337878 437814873 /nfs/dbraw/zinc/81/48/73/437814873.db2.gz NTBBUYZHUFEBDD-NSHDSACASA-N 1 2 336.352 0.440 20 30 ECEDLO C[C@@H](C#N)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000347118426 437835412 /nfs/dbraw/zinc/83/54/12/437835412.db2.gz VCUZWIMPELLMQR-UONOGXRCSA-N 1 2 344.419 0.558 20 30 ECEDLO C[C@@H](C#N)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000347118426 437835419 /nfs/dbraw/zinc/83/54/19/437835419.db2.gz VCUZWIMPELLMQR-UONOGXRCSA-N 1 2 344.419 0.558 20 30 ECEDLO C=C[C@H](CO)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000356877843 437851702 /nfs/dbraw/zinc/85/17/02/437851702.db2.gz VUORPONJBGADHF-UKRRQHHQSA-N 1 2 334.420 0.680 20 30 ECEDLO C=C[C@H](CO)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000356877843 437851707 /nfs/dbraw/zinc/85/17/07/437851707.db2.gz VUORPONJBGADHF-UKRRQHHQSA-N 1 2 334.420 0.680 20 30 ECEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000341521244 437858589 /nfs/dbraw/zinc/85/85/89/437858589.db2.gz BPNVDYHSLSKPOW-BZUAXINKSA-N 1 2 335.400 0.763 20 30 ECEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000341521244 437858593 /nfs/dbraw/zinc/85/85/93/437858593.db2.gz BPNVDYHSLSKPOW-BZUAXINKSA-N 1 2 335.400 0.763 20 30 ECEDLO C[C@@H](C#N)S(=O)(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000416394488 437926833 /nfs/dbraw/zinc/92/68/33/437926833.db2.gz UWLJLSFBHIAFNZ-NSHDSACASA-N 1 2 343.371 0.815 20 30 ECEDLO Cn1ccnc(N2CC[NH+](CCOc3ccccc3C#N)CC2)c1=O ZINC000342097726 437967074 /nfs/dbraw/zinc/96/70/74/437967074.db2.gz KMEIUXZHUFOJAA-UHFFFAOYSA-N 1 2 339.399 0.853 20 30 ECEDLO COC(=O)[C@H]1C[C@H](NS(=O)(=O)c2cccc(Cl)c2C#N)C[NH2+]1 ZINC000365804938 437974067 /nfs/dbraw/zinc/97/40/67/437974067.db2.gz HWLLIXRDAGUHSD-GZMMTYOYSA-N 1 2 343.792 0.393 20 30 ECEDLO Cc1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)ccc1C#N ZINC000416671001 437986006 /nfs/dbraw/zinc/98/60/06/437986006.db2.gz UYWVGERJTCCWLA-ZIAGYGMSSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)ccc1C#N ZINC000416671001 437986012 /nfs/dbraw/zinc/98/60/12/437986012.db2.gz UYWVGERJTCCWLA-ZIAGYGMSSA-N 1 2 337.445 0.942 20 30 ECEDLO CC(C)[C@H]1C[N@H+](C)CCN1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000425477632 438025561 /nfs/dbraw/zinc/02/55/61/438025561.db2.gz LYRGKTVEOWVGOW-OAHLLOKOSA-N 1 2 336.461 0.999 20 30 ECEDLO CC(C)[C@H]1C[N@@H+](C)CCN1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000425477632 438025573 /nfs/dbraw/zinc/02/55/73/438025573.db2.gz LYRGKTVEOWVGOW-OAHLLOKOSA-N 1 2 336.461 0.999 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000366583552 438099927 /nfs/dbraw/zinc/09/99/27/438099927.db2.gz WCDHEZUMJLTFJW-DVOMOZLQSA-N 1 2 325.409 0.657 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000366583552 438099931 /nfs/dbraw/zinc/09/99/31/438099931.db2.gz WCDHEZUMJLTFJW-DVOMOZLQSA-N 1 2 325.409 0.657 20 30 ECEDLO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000366426571 438070500 /nfs/dbraw/zinc/07/05/00/438070500.db2.gz ZVADEXLYSYJYEM-ZDUSSCGKSA-N 1 2 327.450 0.838 20 30 ECEDLO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000366426571 438070503 /nfs/dbraw/zinc/07/05/03/438070503.db2.gz ZVADEXLYSYJYEM-ZDUSSCGKSA-N 1 2 327.450 0.838 20 30 ECEDLO C=C[C@](C)(CCOC)C(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000372673569 438107870 /nfs/dbraw/zinc/10/78/70/438107870.db2.gz IZUNMXKVYBSUFA-QGZVFWFLSA-N 1 2 325.453 0.886 20 30 ECEDLO C=C[C@](C)(CCOC)C(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000372673569 438107873 /nfs/dbraw/zinc/10/78/73/438107873.db2.gz IZUNMXKVYBSUFA-QGZVFWFLSA-N 1 2 325.453 0.886 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)o1 ZINC000372627019 438106571 /nfs/dbraw/zinc/10/65/71/438106571.db2.gz LOWFTGWWVRXBLN-OKILXGFUSA-N 1 2 345.403 0.367 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)o1 ZINC000372627019 438106574 /nfs/dbraw/zinc/10/65/74/438106574.db2.gz LOWFTGWWVRXBLN-OKILXGFUSA-N 1 2 345.403 0.367 20 30 ECEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000373315751 438143239 /nfs/dbraw/zinc/14/32/39/438143239.db2.gz FPGCVWJEGFBYES-CQSZACIVSA-N 1 2 329.335 1.152 20 30 ECEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000373315751 438143241 /nfs/dbraw/zinc/14/32/41/438143241.db2.gz FPGCVWJEGFBYES-CQSZACIVSA-N 1 2 329.335 1.152 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000367174368 438176185 /nfs/dbraw/zinc/17/61/85/438176185.db2.gz UXMAHZWFPKKXJS-GJZGRUSLSA-N 1 2 344.481 0.652 20 30 ECEDLO C=C(C)CN(CC)C(=O)CN1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000374111847 438190469 /nfs/dbraw/zinc/19/04/69/438190469.db2.gz UPYTZOZTGLRTTI-INIZCTEOSA-N 1 2 336.480 0.697 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(c3cc(C)nn3C)C2=O)C1=O ZINC000374178435 438194147 /nfs/dbraw/zinc/19/41/47/438194147.db2.gz YZFKANGOPPFVOU-ZIAGYGMSSA-N 1 2 331.420 0.553 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(c3cc(C)nn3C)C2=O)C1=O ZINC000374178435 438194150 /nfs/dbraw/zinc/19/41/50/438194150.db2.gz YZFKANGOPPFVOU-ZIAGYGMSSA-N 1 2 331.420 0.553 20 30 ECEDLO N#C[C@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CCN1C1CC1 ZINC000373580253 438161200 /nfs/dbraw/zinc/16/12/00/438161200.db2.gz VLPBBQUQRPCNJD-DLBZAZTESA-N 1 2 332.448 0.829 20 30 ECEDLO N#C[C@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CCN1C1CC1 ZINC000373580253 438161204 /nfs/dbraw/zinc/16/12/04/438161204.db2.gz VLPBBQUQRPCNJD-DLBZAZTESA-N 1 2 332.448 0.829 20 30 ECEDLO Cc1oc(C#N)cc1C(=O)N1CCO[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000373862475 438172269 /nfs/dbraw/zinc/17/22/69/438172269.db2.gz IPRUMOYGYGNZCU-OAHLLOKOSA-N 1 2 332.404 0.548 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000367526381 438219497 /nfs/dbraw/zinc/21/94/97/438219497.db2.gz WJNISYCABHXZJY-CQSZACIVSA-N 1 2 331.482 0.767 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000367526381 438219499 /nfs/dbraw/zinc/21/94/99/438219499.db2.gz WJNISYCABHXZJY-CQSZACIVSA-N 1 2 331.482 0.767 20 30 ECEDLO N#CCNC(=O)CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000367732857 438242604 /nfs/dbraw/zinc/24/26/04/438242604.db2.gz DOTGFNLKXZPHPQ-HNNXBMFYSA-N 1 2 332.379 0.936 20 30 ECEDLO N#CCNC(=O)CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000367732857 438242608 /nfs/dbraw/zinc/24/26/08/438242608.db2.gz DOTGFNLKXZPHPQ-HNNXBMFYSA-N 1 2 332.379 0.936 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H](C#N)CCc1ccccc1 ZINC000433381999 438243588 /nfs/dbraw/zinc/24/35/88/438243588.db2.gz BLOVACSUKWTRDK-ZWKOTPCHSA-N 1 2 345.443 0.910 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCc2nn(C(C)C)c(=O)cc2C1 ZINC000375873644 438263732 /nfs/dbraw/zinc/26/37/32/438263732.db2.gz OTBMOUQVJQNCHD-UHFFFAOYSA-N 1 2 333.392 0.194 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCc2nn(C(C)C)c(=O)cc2C1 ZINC000375873644 438263738 /nfs/dbraw/zinc/26/37/38/438263738.db2.gz OTBMOUQVJQNCHD-UHFFFAOYSA-N 1 2 333.392 0.194 20 30 ECEDLO C#CCC(CC#C)C(=O)N1CC[NH+](C2(C(N)=O)CCCCC2)CC1 ZINC000376762634 438293099 /nfs/dbraw/zinc/29/30/99/438293099.db2.gz FDDPJUOORSIFIO-UHFFFAOYSA-N 1 2 329.444 0.982 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCSC3)CC2)o1 ZINC000367778331 438248184 /nfs/dbraw/zinc/24/81/84/438248184.db2.gz UVNKRMHGMGISOX-NSHDSACASA-N 1 2 327.431 0.963 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)CCC(C)(C)C#N)C[C@@H]1[NH+]1CCOCC1 ZINC000377859842 438330048 /nfs/dbraw/zinc/33/00/48/438330048.db2.gz JOLYZJJVSJHIGZ-KBPBESRZSA-N 1 2 329.466 0.909 20 30 ECEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)CCCCC1 ZINC000377920204 438333642 /nfs/dbraw/zinc/33/36/42/438333642.db2.gz UINXQEKRMWXYMN-LBPRGKRZSA-N 1 2 328.438 0.082 20 30 ECEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)CCCCC1 ZINC000377920204 438333645 /nfs/dbraw/zinc/33/36/45/438333645.db2.gz UINXQEKRMWXYMN-LBPRGKRZSA-N 1 2 328.438 0.082 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCN2C(=O)N(CC)C(=O)[C@H]2C1 ZINC000378018778 438336982 /nfs/dbraw/zinc/33/69/82/438336982.db2.gz NJEHHTBNBZYGOF-UONOGXRCSA-N 1 2 336.436 0.768 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCN2C(=O)N(CC)C(=O)[C@H]2C1 ZINC000378018778 438336985 /nfs/dbraw/zinc/33/69/85/438336985.db2.gz NJEHHTBNBZYGOF-UONOGXRCSA-N 1 2 336.436 0.768 20 30 ECEDLO CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCNc2cccc[nH+]2)n1 ZINC000359056933 438350139 /nfs/dbraw/zinc/35/01/39/438350139.db2.gz BWAFIZLOWLWTQA-UHFFFAOYSA-N 1 2 341.375 0.897 20 30 ECEDLO CO/N=C/C(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000378128248 438353381 /nfs/dbraw/zinc/35/33/81/438353381.db2.gz NLRWUPSWMMJFNQ-HNEYUBDGSA-N 1 2 340.424 0.772 20 30 ECEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000435637168 438373249 /nfs/dbraw/zinc/37/32/49/438373249.db2.gz MNZQTWDSJBPFJT-LLVKDONJSA-N 1 2 334.351 0.473 20 30 ECEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000435637168 438373254 /nfs/dbraw/zinc/37/32/54/438373254.db2.gz MNZQTWDSJBPFJT-LLVKDONJSA-N 1 2 334.351 0.473 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)NCC1([NH+]2CCOCC2)CCCC1 ZINC000369195486 438437499 /nfs/dbraw/zinc/43/74/99/438437499.db2.gz UZNILQGJZMTDIV-AWEZNQCLSA-N 1 2 344.481 0.557 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000368914507 438399071 /nfs/dbraw/zinc/39/90/71/438399071.db2.gz XOJYZHHRMVMGNA-GJZGRUSLSA-N 1 2 336.436 0.460 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000368914507 438399074 /nfs/dbraw/zinc/39/90/74/438399074.db2.gz XOJYZHHRMVMGNA-GJZGRUSLSA-N 1 2 336.436 0.460 20 30 ECEDLO Cn1cc2c(n1)CCC[C@H]2C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000369049050 438417274 /nfs/dbraw/zinc/41/72/74/438417274.db2.gz RZOIAOOZKGZZLY-OAHLLOKOSA-N 1 2 345.447 0.914 20 30 ECEDLO N#Cc1ncn(CCNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)n1 ZINC000352745982 438468951 /nfs/dbraw/zinc/46/89/51/438468951.db2.gz NHALXZSBMPIBQS-UHFFFAOYSA-N 1 2 337.347 0.611 20 30 ECEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+](C[C@H]2C[C@@H](O)C2)CC1 ZINC000420905462 438448976 /nfs/dbraw/zinc/44/89/76/438448976.db2.gz QWSSSGHCONKLCM-OTVXOJSOSA-N 1 2 335.429 0.635 20 30 ECEDLO C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H](C)O2 ZINC000369297263 438451562 /nfs/dbraw/zinc/45/15/62/438451562.db2.gz DDRPOBMHODBGFK-HLLBOEOZSA-N 1 2 334.420 0.911 20 30 ECEDLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H](C)O2 ZINC000369297263 438451566 /nfs/dbraw/zinc/45/15/66/438451566.db2.gz DDRPOBMHODBGFK-HLLBOEOZSA-N 1 2 334.420 0.911 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000408092139 438510196 /nfs/dbraw/zinc/51/01/96/438510196.db2.gz XONFUTPLUNPJSP-HIFRSBDPSA-N 1 2 344.481 0.397 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000408092139 438510199 /nfs/dbraw/zinc/51/01/99/438510199.db2.gz XONFUTPLUNPJSP-HIFRSBDPSA-N 1 2 344.481 0.397 20 30 ECEDLO COC(=O)[C@@H](O)C1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000441264455 438581004 /nfs/dbraw/zinc/58/10/04/438581004.db2.gz KSPRFHVBXVBTAQ-CABCVRRESA-N 1 2 331.372 0.331 20 30 ECEDLO Cc1ncc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cc1C#N ZINC000408361348 438561111 /nfs/dbraw/zinc/56/11/11/438561111.db2.gz FKRREFAJPOZIFA-VXGBXAGGSA-N 1 2 338.433 0.337 20 30 ECEDLO Cc1ncc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1C#N ZINC000408361348 438561114 /nfs/dbraw/zinc/56/11/14/438561114.db2.gz FKRREFAJPOZIFA-VXGBXAGGSA-N 1 2 338.433 0.337 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)cc1O ZINC000442644343 438615133 /nfs/dbraw/zinc/61/51/33/438615133.db2.gz DXUWIBGAIGTCDC-MRXNPFEDSA-N 1 2 345.399 0.827 20 30 ECEDLO C[N@@H+]1CCN(C(=O)CSCC#N)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000493423681 438624062 /nfs/dbraw/zinc/62/40/62/438624062.db2.gz FFWSUVKFVNNLDE-LBPRGKRZSA-N 1 2 342.465 0.910 20 30 ECEDLO C[N@H+]1CCN(C(=O)CSCC#N)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000493423681 438624067 /nfs/dbraw/zinc/62/40/67/438624067.db2.gz FFWSUVKFVNNLDE-LBPRGKRZSA-N 1 2 342.465 0.910 20 30 ECEDLO C=CCOCC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000493425822 438624483 /nfs/dbraw/zinc/62/44/83/438624483.db2.gz LBWVMIAXYUNMPR-ZDUSSCGKSA-N 1 2 327.425 0.856 20 30 ECEDLO C=CCOCC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000493425822 438624488 /nfs/dbraw/zinc/62/44/88/438624488.db2.gz LBWVMIAXYUNMPR-ZDUSSCGKSA-N 1 2 327.425 0.856 20 30 ECEDLO CCOC(=O)[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC12COC2 ZINC000451134706 438696445 /nfs/dbraw/zinc/69/64/45/438696445.db2.gz LRJIGLQLTIFPOQ-GJZGRUSLSA-N 1 2 343.383 0.596 20 30 ECEDLO CCOC(=O)[C@@H]1C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC12COC2 ZINC000451134706 438696449 /nfs/dbraw/zinc/69/64/49/438696449.db2.gz LRJIGLQLTIFPOQ-GJZGRUSLSA-N 1 2 343.383 0.596 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)c2cnccc2C#N)C1=O ZINC000553643502 438755325 /nfs/dbraw/zinc/75/53/25/438755325.db2.gz YZHKCYFUHDJSQE-AWEZNQCLSA-N 1 2 338.371 0.608 20 30 ECEDLO CCN1CCN(C(=O)CNc2ccc(C#N)cn2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000548019613 438723594 /nfs/dbraw/zinc/72/35/94/438723594.db2.gz GRSRYLIKFKBFKL-CQSZACIVSA-N 1 2 339.403 0.994 20 30 ECEDLO C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000554054857 438760569 /nfs/dbraw/zinc/76/05/69/438760569.db2.gz HAMILCPIRCQRIJ-CVEARBPZSA-N 1 2 335.448 0.947 20 30 ECEDLO C=C(C)Cn1c(C)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000558990113 438832782 /nfs/dbraw/zinc/83/27/82/438832782.db2.gz LHIXXSRXROVOME-ZDUSSCGKSA-N 1 2 332.452 0.952 20 30 ECEDLO COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)CCC(C)(C)C#N)CC1 ZINC000561395622 438847193 /nfs/dbraw/zinc/84/71/93/438847193.db2.gz JAXWLPFORJPSFA-CYBMUJFWSA-N 1 2 345.465 0.825 20 30 ECEDLO N#CCC(=O)N1CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000601324344 438848838 /nfs/dbraw/zinc/84/88/38/438848838.db2.gz VNOXANRPZSTZPD-UHFFFAOYSA-N 1 2 337.383 0.999 20 30 ECEDLO C=C[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000516134167 438894494 /nfs/dbraw/zinc/89/44/94/438894494.db2.gz RNDLXIJFYPOISS-CVEARBPZSA-N 1 2 335.448 0.734 20 30 ECEDLO CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C1 ZINC000563220824 438860183 /nfs/dbraw/zinc/86/01/83/438860183.db2.gz VYEQXLZCSRSUOS-OCCSQVGLSA-N 1 2 330.454 0.008 20 30 ECEDLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccccc2CC#N)CC1 ZINC000601359759 438860557 /nfs/dbraw/zinc/86/05/57/438860557.db2.gz ZDIKTHMTTFMCDO-HNNXBMFYSA-N 1 2 337.445 0.830 20 30 ECEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2nccc(C#N)n2)CC1 ZINC000516848191 438929478 /nfs/dbraw/zinc/92/94/78/438929478.db2.gz SUDMPSUGXXPCKV-ZDUSSCGKSA-N 1 2 328.420 0.918 20 30 ECEDLO CC(C)NC(=O)NCC[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000565419013 438949030 /nfs/dbraw/zinc/94/90/30/438949030.db2.gz KSXNPCKDOYZVHK-ZDUSSCGKSA-N 1 2 331.424 0.566 20 30 ECEDLO CC(C)NC(=O)NCC[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000565419013 438949034 /nfs/dbraw/zinc/94/90/34/438949034.db2.gz KSXNPCKDOYZVHK-ZDUSSCGKSA-N 1 2 331.424 0.566 20 30 ECEDLO Cn1cnc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1=O ZINC000602032331 438999548 /nfs/dbraw/zinc/99/95/48/438999548.db2.gz HRVAIEICRVVTTG-UHFFFAOYSA-N 1 2 337.383 0.610 20 30 ECEDLO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)CC[N@@H+]1CCO ZINC000602034750 439001301 /nfs/dbraw/zinc/00/13/01/439001301.db2.gz KIWCGYUTQNWSLV-NSHDSACASA-N 1 2 334.351 0.161 20 30 ECEDLO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)CC[N@H+]1CCO ZINC000602034750 439001307 /nfs/dbraw/zinc/00/13/07/439001307.db2.gz KIWCGYUTQNWSLV-NSHDSACASA-N 1 2 334.351 0.161 20 30 ECEDLO N#CC1(CNC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CCC1 ZINC000591389552 439011036 /nfs/dbraw/zinc/01/10/36/439011036.db2.gz UBOQBPNQHHJXGC-UHFFFAOYSA-N 1 2 347.463 0.924 20 30 ECEDLO N#CCCN1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000602078208 439006693 /nfs/dbraw/zinc/00/66/93/439006693.db2.gz OVJSKPPGVJNLGW-UHFFFAOYSA-N 1 2 326.360 0.331 20 30 ECEDLO CN1C[C@H]([N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)CCC1=O ZINC000566425068 439052922 /nfs/dbraw/zinc/05/29/22/439052922.db2.gz RYNKJIQOVIRMFG-CQSZACIVSA-N 1 2 335.429 0.885 20 30 ECEDLO CN1C[C@H]([N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)CCC1=O ZINC000566425068 439052928 /nfs/dbraw/zinc/05/29/28/439052928.db2.gz RYNKJIQOVIRMFG-CQSZACIVSA-N 1 2 335.429 0.885 20 30 ECEDLO C=CCCSCCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000597193913 439055883 /nfs/dbraw/zinc/05/58/83/439055883.db2.gz WBETWVMRXSCORL-ZDUSSCGKSA-N 1 2 329.466 0.249 20 30 ECEDLO N#CC1(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000580027317 439056609 /nfs/dbraw/zinc/05/66/09/439056609.db2.gz AXLDCCLZCUMXNM-UHFFFAOYSA-N 1 2 329.408 0.202 20 30 ECEDLO Cc1cc(CNC(=O)C(=O)N2CCN(CCC#N)CC2)cc(C)[nH+]1 ZINC000602292196 439059175 /nfs/dbraw/zinc/05/91/75/439059175.db2.gz VMAYSFVQNJWKNT-UHFFFAOYSA-N 1 2 329.404 0.373 20 30 ECEDLO COC(=O)c1cnc([C@@H](C)NC[C@@H](O)C[N@H+](C)CCC#N)s1 ZINC000519540316 439037324 /nfs/dbraw/zinc/03/73/24/439037324.db2.gz PIYKZEGJLNICFD-GHMZBOCLSA-N 1 2 326.422 0.787 20 30 ECEDLO COC(=O)c1cnc([C@@H](C)NC[C@@H](O)C[N@@H+](C)CCC#N)s1 ZINC000519540316 439037330 /nfs/dbraw/zinc/03/73/30/439037330.db2.gz PIYKZEGJLNICFD-GHMZBOCLSA-N 1 2 326.422 0.787 20 30 ECEDLO N#CCC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000566746256 439086330 /nfs/dbraw/zinc/08/63/30/439086330.db2.gz YGJPONJVVVPAPV-ZDUSSCGKSA-N 1 2 348.359 0.392 20 30 ECEDLO N#C[C@H]1CN(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)CCO1 ZINC000602378677 439076654 /nfs/dbraw/zinc/07/66/54/439076654.db2.gz IIPAFXZLMSOJEK-JKSUJKDBSA-N 1 2 345.403 0.216 20 30 ECEDLO N#C[C@H]1CN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)CCO1 ZINC000602378677 439076658 /nfs/dbraw/zinc/07/66/58/439076658.db2.gz IIPAFXZLMSOJEK-JKSUJKDBSA-N 1 2 345.403 0.216 20 30 ECEDLO N#CC1(CNC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)CCCCC1 ZINC000597320712 439077566 /nfs/dbraw/zinc/07/75/66/439077566.db2.gz SHPIBPDOVIFNQP-ZDUSSCGKSA-N 1 2 329.404 0.904 20 30 ECEDLO CCOC(=O)CN(C(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592148532 439167163 /nfs/dbraw/zinc/16/71/63/439167163.db2.gz WGYZQBYIMRQFNO-GOSISDBHSA-N 1 2 345.399 0.933 20 30 ECEDLO CCOC(=O)CN(C(=O)C[N@H+]1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592148532 439167167 /nfs/dbraw/zinc/16/71/67/439167167.db2.gz WGYZQBYIMRQFNO-GOSISDBHSA-N 1 2 345.399 0.933 20 30 ECEDLO C[C@@H](NS(=O)(=O)Cc1ccc(CC#N)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000592037636 439139122 /nfs/dbraw/zinc/13/91/22/439139122.db2.gz UTGDARAIYGBVTL-CJNGLKHVSA-N 1 2 337.445 0.891 20 30 ECEDLO C[C@@H](NS(=O)(=O)Cc1ccc(CC#N)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000592037636 439139126 /nfs/dbraw/zinc/13/91/26/439139126.db2.gz UTGDARAIYGBVTL-CJNGLKHVSA-N 1 2 337.445 0.891 20 30 ECEDLO Cc1cc(=O)n2nc(C[N@@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)sc2n1 ZINC000602857589 439144968 /nfs/dbraw/zinc/14/49/68/439144968.db2.gz TURBXRITSOSITF-TXEJJXNPSA-N 1 2 332.433 0.878 20 30 ECEDLO Cc1cc(=O)n2nc(C[N@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)sc2n1 ZINC000602857589 439144974 /nfs/dbraw/zinc/14/49/74/439144974.db2.gz TURBXRITSOSITF-TXEJJXNPSA-N 1 2 332.433 0.878 20 30 ECEDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccc(C#N)n1C)C2 ZINC000580898905 439147219 /nfs/dbraw/zinc/14/72/19/439147219.db2.gz SVWPHXGCTXDYRF-GFCCVEGCSA-N 1 2 327.388 0.681 20 30 ECEDLO C[N@H+](CCC#N)C[C@H](O)CN[C@H](CO)c1nc(-c2ccccc2)no1 ZINC000592432419 439226178 /nfs/dbraw/zinc/22/61/78/439226178.db2.gz WVISIFLKUUXSRZ-HUUCEWRRSA-N 1 2 345.403 0.566 20 30 ECEDLO C[N@@H+](CCC#N)C[C@H](O)CN[C@H](CO)c1nc(-c2ccccc2)no1 ZINC000592432419 439226184 /nfs/dbraw/zinc/22/61/84/439226184.db2.gz WVISIFLKUUXSRZ-HUUCEWRRSA-N 1 2 345.403 0.566 20 30 ECEDLO CN(CCC#N)C[C@H](O)C[NH2+][C@H](CO)c1nc(-c2ccccc2)no1 ZINC000592432419 439226191 /nfs/dbraw/zinc/22/61/91/439226191.db2.gz WVISIFLKUUXSRZ-HUUCEWRRSA-N 1 2 345.403 0.566 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000592197048 439178046 /nfs/dbraw/zinc/17/80/46/439178046.db2.gz LMECKVYGDAHYJD-KGLIPLIRSA-N 1 2 342.355 0.964 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000592197048 439178052 /nfs/dbraw/zinc/17/80/52/439178052.db2.gz LMECKVYGDAHYJD-KGLIPLIRSA-N 1 2 342.355 0.964 20 30 ECEDLO N#CC[C@]1(O)CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000592304870 439198707 /nfs/dbraw/zinc/19/87/07/439198707.db2.gz WTGLVMDFSWACDZ-KRWDZBQOSA-N 1 2 339.355 0.688 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000567995628 439201989 /nfs/dbraw/zinc/20/19/89/439201989.db2.gz QJLVGMACHULCAU-RDTXWAMCSA-N 1 2 342.399 0.465 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H](n3cc([C@@H]4COCC[NH2+]4)nn3)C2=O)cc1 ZINC000603190177 439205097 /nfs/dbraw/zinc/20/50/97/439205097.db2.gz CYAIULHPMPIVMG-JKSUJKDBSA-N 1 2 338.371 0.789 20 30 ECEDLO N#Cc1cc(N[C@@H](CO)C[NH+]2CCOCC2)ncc1Br ZINC000603393926 439253940 /nfs/dbraw/zinc/25/39/40/439253940.db2.gz CJMJJWWVOSRWPD-LLVKDONJSA-N 1 2 341.209 0.821 20 30 ECEDLO C[C@H](CC#N)C(=O)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000598362472 439256866 /nfs/dbraw/zinc/25/68/66/439256866.db2.gz ANZCFVCERQBWSB-CRAIPNDOSA-N 1 2 331.416 0.916 20 30 ECEDLO C[C@H](CC#N)C(=O)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000598362472 439256871 /nfs/dbraw/zinc/25/68/71/439256871.db2.gz ANZCFVCERQBWSB-CRAIPNDOSA-N 1 2 331.416 0.916 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000581947096 439268663 /nfs/dbraw/zinc/26/86/63/439268663.db2.gz MTYVVYWXKJQBON-HNNXBMFYSA-N 1 2 334.332 0.940 20 30 ECEDLO C[C@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@H](C(N)=O)C1 ZINC000528467249 439338645 /nfs/dbraw/zinc/33/86/45/439338645.db2.gz YVRMBRNDGBIMTE-BBRMVZONSA-N 1 2 339.395 0.872 20 30 ECEDLO C[C@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@H](C(N)=O)C1 ZINC000528467249 439338650 /nfs/dbraw/zinc/33/86/50/439338650.db2.gz YVRMBRNDGBIMTE-BBRMVZONSA-N 1 2 339.395 0.872 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2nc(-c3cccs3)oc2=O)CC1 ZINC000490924805 439314033 /nfs/dbraw/zinc/31/40/33/439314033.db2.gz RZCAGGSRHNRCGW-UHFFFAOYSA-N 1 2 332.385 0.342 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(F)cc2C(=O)N(C)C)CC1 ZINC000490984384 439320591 /nfs/dbraw/zinc/32/05/91/439320591.db2.gz FCJGOSNKPUITHB-UHFFFAOYSA-N 1 2 346.406 0.717 20 30 ECEDLO N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1 ZINC000598944743 439333274 /nfs/dbraw/zinc/33/32/74/439333274.db2.gz UQRLHLUUIVZXON-CQSZACIVSA-N 1 2 344.396 0.411 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000491121428 439335474 /nfs/dbraw/zinc/33/54/74/439335474.db2.gz QVMAHIPVZYAOHY-UHFFFAOYSA-N 1 2 338.411 0.628 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccsc2C)CC1 ZINC000490718387 439291266 /nfs/dbraw/zinc/29/12/66/439291266.db2.gz IKHBTEDQRXCPKW-UHFFFAOYSA-N 1 2 333.457 0.883 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccsc2C)CC1 ZINC000490718387 439291271 /nfs/dbraw/zinc/29/12/71/439291271.db2.gz IKHBTEDQRXCPKW-UHFFFAOYSA-N 1 2 333.457 0.883 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(C(=O)OC)c(OC)c2)CC1 ZINC000490740031 439292936 /nfs/dbraw/zinc/29/29/36/439292936.db2.gz IGSMCYLWYNNBJL-UHFFFAOYSA-N 1 2 345.399 0.671 20 30 ECEDLO CC[C@H](CC#N)[NH2+]CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000568997048 439296529 /nfs/dbraw/zinc/29/65/29/439296529.db2.gz HYFDPORBMBQRBU-GFCCVEGCSA-N 1 2 336.417 0.505 20 30 ECEDLO C#CCN1CCN(C(=O)C[NH+]2CCN(c3ccccc3C)CC2)CC1 ZINC000490778919 439298215 /nfs/dbraw/zinc/29/82/15/439298215.db2.gz ORRIMSFIFVSGGJ-UHFFFAOYSA-N 1 2 340.471 0.894 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)CC1 ZINC000490799697 439301194 /nfs/dbraw/zinc/30/11/94/439301194.db2.gz JFZMMBIHXNBCSD-UHFFFAOYSA-N 1 2 346.431 0.409 20 30 ECEDLO CCOCCn1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cn1 ZINC000598686639 439303857 /nfs/dbraw/zinc/30/38/57/439303857.db2.gz FCNRFTMSAJEWFB-UHFFFAOYSA-N 1 2 349.435 0.608 20 30 ECEDLO C#CC[N@@H+](C[C@@H](O)COCc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000490852667 439305983 /nfs/dbraw/zinc/30/59/83/439305983.db2.gz MJPDOAQZKQUYNY-ZIAGYGMSSA-N 1 2 343.470 0.748 20 30 ECEDLO C#CC[N@H+](C[C@@H](O)COCc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000490852667 439305989 /nfs/dbraw/zinc/30/59/89/439305989.db2.gz MJPDOAQZKQUYNY-ZIAGYGMSSA-N 1 2 343.470 0.748 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN[C@@H](C(=O)OC(C)(C)C)C(C)C)CC1 ZINC000490917870 439311671 /nfs/dbraw/zinc/31/16/71/439311671.db2.gz ZMBPGPNOBBMXAA-MRXNPFEDSA-N 1 2 337.464 0.720 20 30 ECEDLO COC(=O)NCCCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000491264134 439359705 /nfs/dbraw/zinc/35/97/05/439359705.db2.gz DUCWEVUHFMELDE-UHFFFAOYSA-N 1 2 326.397 0.197 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)N[C@@](CCC)(C3CC3)C2=O)CC1 ZINC000491154666 439340231 /nfs/dbraw/zinc/34/02/31/439340231.db2.gz LCUKTOPUHYSWCL-SFHVURJKSA-N 1 2 346.431 0.265 20 30 ECEDLO C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(C)[nH+]c2C)CC1 ZINC000491203777 439348764 /nfs/dbraw/zinc/34/87/64/439348764.db2.gz YYZOLYUCPDSVQQ-UHFFFAOYSA-N 1 2 342.399 0.625 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCN([C@H](C)C(F)(F)F)CC2)CC1 ZINC000491382094 439374385 /nfs/dbraw/zinc/37/43/85/439374385.db2.gz HOFXNBUKDIZRFY-CQSZACIVSA-N 1 2 346.397 0.332 20 30 ECEDLO COCCCn1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cn1 ZINC000599230319 439394025 /nfs/dbraw/zinc/39/40/25/439394025.db2.gz PXWUZHHZKHPTDZ-UHFFFAOYSA-N 1 2 349.435 0.608 20 30 ECEDLO CC[C@@H](C)[C@@H](NC(=O)[C@@H](C#N)CC)C(=O)NCC[NH+]1CCOCC1 ZINC000593461545 439385329 /nfs/dbraw/zinc/38/53/29/439385329.db2.gz QVSAWSVQPIOOSD-RBSFLKMASA-N 1 2 338.452 0.515 20 30 ECEDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000599293583 439422369 /nfs/dbraw/zinc/42/23/69/439422369.db2.gz ZZSUVYXQKYPTKJ-JSGCOSHPSA-N 1 2 326.418 0.663 20 30 ECEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000599293583 439422374 /nfs/dbraw/zinc/42/23/74/439422374.db2.gz ZZSUVYXQKYPTKJ-JSGCOSHPSA-N 1 2 326.418 0.663 20 30 ECEDLO C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1)C(C)C ZINC000491660927 439422624 /nfs/dbraw/zinc/42/26/24/439422624.db2.gz PCVKIZIJFXSDFO-LLVKDONJSA-N 1 2 348.450 0.119 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCC[C@@H](OC)C2)CC1 ZINC000491658763 439422801 /nfs/dbraw/zinc/42/28/01/439422801.db2.gz WIHBKBULVWFPQS-JKSUJKDBSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@@H](OC)C2)CC1 ZINC000491658763 439422803 /nfs/dbraw/zinc/42/28/03/439422803.db2.gz WIHBKBULVWFPQS-JKSUJKDBSA-N 1 2 335.448 0.475 20 30 ECEDLO COC(=O)C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)CCO1 ZINC000599306189 439426996 /nfs/dbraw/zinc/42/69/96/439426996.db2.gz FPYLFUNIPJXYBT-HUUCEWRRSA-N 1 2 334.372 0.562 20 30 ECEDLO COC(=O)C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)CCO1 ZINC000599306189 439427001 /nfs/dbraw/zinc/42/70/01/439427001.db2.gz FPYLFUNIPJXYBT-HUUCEWRRSA-N 1 2 334.372 0.562 20 30 ECEDLO COC(=O)c1cnc(CN(CCC#N)CC[NH+]2CCOCC2)cn1 ZINC000599307236 439427058 /nfs/dbraw/zinc/42/70/58/439427058.db2.gz IZJGBOYIXHIEQE-UHFFFAOYSA-N 1 2 333.392 0.311 20 30 ECEDLO CCOC(=O)C[C@@H](O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000599313443 439428910 /nfs/dbraw/zinc/42/89/10/439428910.db2.gz YULRFXZDEJYVII-QWHCGFSZSA-N 1 2 333.392 0.173 20 30 ECEDLO CCOC(=O)C[C@@H](O)C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000599313443 439428914 /nfs/dbraw/zinc/42/89/14/439428914.db2.gz YULRFXZDEJYVII-QWHCGFSZSA-N 1 2 333.392 0.173 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)CC1 ZINC000491810015 439455596 /nfs/dbraw/zinc/45/55/96/439455596.db2.gz YJKYRHBBUSCHPT-FUHWJXTLSA-N 1 2 335.448 0.034 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)CC1 ZINC000491810015 439455601 /nfs/dbraw/zinc/45/56/01/439455601.db2.gz YJKYRHBBUSCHPT-FUHWJXTLSA-N 1 2 335.448 0.034 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000491740876 439438815 /nfs/dbraw/zinc/43/88/15/439438815.db2.gz OZVIFDLUUJKMAY-UHFFFAOYSA-N 1 2 336.436 0.910 20 30 ECEDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1ccc(C#N)nc1)C2 ZINC000593696659 439448258 /nfs/dbraw/zinc/44/82/58/439448258.db2.gz BMNJUVPOXBHERO-ZDUSSCGKSA-N 1 2 325.372 0.738 20 30 ECEDLO C#C[C@H](C)[N@@H+](C)CC(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O ZINC000491779259 439448867 /nfs/dbraw/zinc/44/88/67/439448867.db2.gz ISWJTKCSAMQLCG-SCLBCKFNSA-N 1 2 342.399 0.828 20 30 ECEDLO C#C[C@H](C)[N@H+](C)CC(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O ZINC000491779259 439448874 /nfs/dbraw/zinc/44/88/74/439448874.db2.gz ISWJTKCSAMQLCG-SCLBCKFNSA-N 1 2 342.399 0.828 20 30 ECEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000599380228 439452350 /nfs/dbraw/zinc/45/23/50/439452350.db2.gz RCYJXYREBPOBOZ-YCPHGPKFSA-N 1 2 334.372 0.296 20 30 ECEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000599380228 439452355 /nfs/dbraw/zinc/45/23/55/439452355.db2.gz RCYJXYREBPOBOZ-YCPHGPKFSA-N 1 2 334.372 0.296 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000571408700 439500810 /nfs/dbraw/zinc/50/08/10/439500810.db2.gz XKVMCRURBAESHL-QGZVFWFLSA-N 1 2 328.372 0.633 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000530639307 439502527 /nfs/dbraw/zinc/50/25/27/439502527.db2.gz DVXLOCDHYBZTOI-AWEZNQCLSA-N 1 2 334.420 0.072 20 30 ECEDLO N#CCC(=O)N1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000594016862 439506122 /nfs/dbraw/zinc/50/61/22/439506122.db2.gz QLOJGRBIEZQHGC-MRXNPFEDSA-N 1 2 342.399 0.550 20 30 ECEDLO COCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C[C@H](O)C(F)(F)F ZINC000594018510 439506328 /nfs/dbraw/zinc/50/63/28/439506328.db2.gz YFFXVOGSZMRQTN-WCQYABFASA-N 1 2 339.358 0.912 20 30 ECEDLO COCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C[C@H](O)C(F)(F)F ZINC000594018510 439506331 /nfs/dbraw/zinc/50/63/31/439506331.db2.gz YFFXVOGSZMRQTN-WCQYABFASA-N 1 2 339.358 0.912 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCN1c2ccccc2OCC1=O ZINC000571496208 439506762 /nfs/dbraw/zinc/50/67/62/439506762.db2.gz BBJBGUXMVHCUFU-QGZVFWFLSA-N 1 2 330.388 0.762 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000533086994 439523395 /nfs/dbraw/zinc/52/33/95/439523395.db2.gz SPIBEIWLNRGFAL-BZPMIXESSA-N 1 2 330.454 0.053 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000533086994 439523397 /nfs/dbraw/zinc/52/33/97/439523397.db2.gz SPIBEIWLNRGFAL-BZPMIXESSA-N 1 2 330.454 0.053 20 30 ECEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000571801981 439531373 /nfs/dbraw/zinc/53/13/73/439531373.db2.gz BXELEAPECNVFIG-CYBMUJFWSA-N 1 2 334.405 0.115 20 30 ECEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000571801981 439531379 /nfs/dbraw/zinc/53/13/79/439531379.db2.gz BXELEAPECNVFIG-CYBMUJFWSA-N 1 2 334.405 0.115 20 30 ECEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(CCS(C)(=O)=O)cc1 ZINC000571874539 439537137 /nfs/dbraw/zinc/53/71/37/439537137.db2.gz KOCNDIUMPOMAIL-INIZCTEOSA-N 1 2 339.461 0.892 20 30 ECEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(CCS(C)(=O)=O)cc1 ZINC000571874539 439537143 /nfs/dbraw/zinc/53/71/43/439537143.db2.gz KOCNDIUMPOMAIL-INIZCTEOSA-N 1 2 339.461 0.892 20 30 ECEDLO Cc1ccn(C)c(=O)c1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000531574222 439512088 /nfs/dbraw/zinc/51/20/88/439512088.db2.gz HSKYGTHWQQKPBT-UHFFFAOYSA-N 1 2 347.419 0.774 20 30 ECEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N(C)Cc2cnn(C)c2)CC1 ZINC000609485568 439571790 /nfs/dbraw/zinc/57/17/90/439571790.db2.gz SPUFTDORJKBSIS-INIZCTEOSA-N 1 2 332.452 0.544 20 30 ECEDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000609565160 439575006 /nfs/dbraw/zinc/57/50/06/439575006.db2.gz YBROLPJFESFZFD-DZGCQCFKSA-N 1 2 340.445 0.857 20 30 ECEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000609565160 439575012 /nfs/dbraw/zinc/57/50/12/439575012.db2.gz YBROLPJFESFZFD-DZGCQCFKSA-N 1 2 340.445 0.857 20 30 ECEDLO CCOC(=O)CCCNC(=O)C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609539383 439576576 /nfs/dbraw/zinc/57/65/76/439576576.db2.gz YXODXZGYLXTUDR-HNNXBMFYSA-N 1 2 338.452 0.612 20 30 ECEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000600427547 439655413 /nfs/dbraw/zinc/65/54/13/439655413.db2.gz ZIRBUAPSIXNUTP-ZDUSSCGKSA-N 1 2 332.404 0.655 20 30 ECEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000600427547 439655416 /nfs/dbraw/zinc/65/54/16/439655416.db2.gz ZIRBUAPSIXNUTP-ZDUSSCGKSA-N 1 2 332.404 0.655 20 30 ECEDLO N#Cc1ccc(N2CCC[C@H]2C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1 ZINC000610963937 439661686 /nfs/dbraw/zinc/66/16/86/439661686.db2.gz REJDZQDFDRCYNQ-MSOLQXFVSA-N 1 2 339.443 0.643 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(Cc2ccnc(C#N)c2)CC1 ZINC000610992617 439664136 /nfs/dbraw/zinc/66/41/36/439664136.db2.gz VFSJERMVJZHHDW-HNNXBMFYSA-N 1 2 345.447 0.612 20 30 ECEDLO Cc1nnc2n1C[C@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)CC2 ZINC000611013703 439666322 /nfs/dbraw/zinc/66/63/22/439666322.db2.gz AXIGHYUQUBRELQ-OAHLLOKOSA-N 1 2 346.435 0.223 20 30 ECEDLO C=CCCSCCNC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000595174716 439668183 /nfs/dbraw/zinc/66/81/83/439668183.db2.gz WFUSNUGDPGAQCM-AWEZNQCLSA-N 1 2 343.493 0.591 20 30 ECEDLO COCCN(CCC#N)S(=O)(=O)NCCc1c[nH+]ccc1C ZINC000594818109 439620740 /nfs/dbraw/zinc/62/07/40/439620740.db2.gz HEFNRHQYCAMCTA-UHFFFAOYSA-N 1 2 326.422 0.629 20 30 ECEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000611552145 439705414 /nfs/dbraw/zinc/70/54/14/439705414.db2.gz QJGOGIORPNNZAU-HNNXBMFYSA-N 1 2 345.378 0.560 20 30 ECEDLO C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000636540935 439923542 /nfs/dbraw/zinc/92/35/42/439923542.db2.gz IODGSZLPZSTGTI-AWEZNQCLSA-N 1 2 325.453 0.932 20 30 ECEDLO C=CCCCN(C)C(=O)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000632547692 440278863 /nfs/dbraw/zinc/27/88/63/440278863.db2.gz RSKMMTLBOBDMFU-UHFFFAOYSA-N 1 2 345.447 0.588 20 30 ECEDLO C=CC[N@@H+](Cc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000637961593 440378642 /nfs/dbraw/zinc/37/86/42/440378642.db2.gz AGQGJDICHTZTET-CYBMUJFWSA-N 1 2 344.458 0.509 20 30 ECEDLO C=CC[N@H+](Cc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000637961593 440378648 /nfs/dbraw/zinc/37/86/48/440378648.db2.gz AGQGJDICHTZTET-CYBMUJFWSA-N 1 2 344.458 0.509 20 30 ECEDLO C=C(C)[C@@H](CO)[NH+]1CCN(c2ccccc2S(=O)(=O)NC)CC1 ZINC000649282597 440435895 /nfs/dbraw/zinc/43/58/95/440435895.db2.gz OBRZIWMSDGVNCT-OAHLLOKOSA-N 1 2 339.461 0.654 20 30 ECEDLO C=CCCOCCNC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656326294 440770245 /nfs/dbraw/zinc/77/02/45/440770245.db2.gz AGWYLHPCVDPJTC-KFWWJZLASA-N 1 2 341.452 0.309 20 30 ECEDLO C=CCCOCCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656326294 440770250 /nfs/dbraw/zinc/77/02/50/440770250.db2.gz AGWYLHPCVDPJTC-KFWWJZLASA-N 1 2 341.452 0.309 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O ZINC000661881090 440929351 /nfs/dbraw/zinc/92/93/51/440929351.db2.gz BHBBPRQVNKPCAJ-BARDWOONSA-N 1 2 342.461 0.319 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O ZINC000661881090 440929357 /nfs/dbraw/zinc/92/93/57/440929357.db2.gz BHBBPRQVNKPCAJ-BARDWOONSA-N 1 2 342.461 0.319 20 30 ECEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)c1C#N ZINC000535208536 322077936 /nfs/dbraw/zinc/07/79/36/322077936.db2.gz YRQXWQNQLBRKNP-LBPRGKRZSA-N 1 2 337.401 0.468 20 30 ECEDLO COC(=O)c1cccc(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)c1C#N ZINC000535208536 322077939 /nfs/dbraw/zinc/07/79/39/322077939.db2.gz YRQXWQNQLBRKNP-LBPRGKRZSA-N 1 2 337.401 0.468 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccncc2C#N)CC1 ZINC000547824692 322140294 /nfs/dbraw/zinc/14/02/94/322140294.db2.gz NXMFQEFCRFQWKF-AWEZNQCLSA-N 1 2 331.420 0.616 20 30 ECEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2noc(C3CC3)n2)c1=O ZINC000562228429 322267491 /nfs/dbraw/zinc/26/74/91/322267491.db2.gz WQCLPCHCRVJUSE-UHFFFAOYSA-N 1 2 341.371 0.861 20 30 ECEDLO N#Cc1ccc(F)c(CN2CC[NH+](CCS(N)(=O)=O)CC2)c1 ZINC000174927208 534785905 /nfs/dbraw/zinc/78/59/05/534785905.db2.gz AGNHISSUQKNOPQ-UHFFFAOYSA-N 1 2 326.397 0.103 20 30 ECEDLO COCCCNC(=O)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000198741649 536562015 /nfs/dbraw/zinc/56/20/15/536562015.db2.gz XGAAPTQCJOKEJX-ZDUSSCGKSA-N 1 2 332.404 0.970 20 30 ECEDLO COCCCNC(=O)C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000198741649 536562021 /nfs/dbraw/zinc/56/20/21/536562021.db2.gz XGAAPTQCJOKEJX-ZDUSSCGKSA-N 1 2 332.404 0.970 20 30 ECEDLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@H]1CCCNC1=O ZINC000329578373 546027885 /nfs/dbraw/zinc/02/78/85/546027885.db2.gz TWMUCWAESZZDIB-LBPRGKRZSA-N 1 2 336.396 0.660 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)[C@H](C)C1 ZINC000329711916 546031424 /nfs/dbraw/zinc/03/14/24/546031424.db2.gz PFTKRDZEUXRHNF-RDBSUJKOSA-N 1 2 347.481 0.112 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)[C@H](C)C1 ZINC000329711916 546031428 /nfs/dbraw/zinc/03/14/28/546031428.db2.gz PFTKRDZEUXRHNF-RDBSUJKOSA-N 1 2 347.481 0.112 20 30 ECEDLO C=CCn1c([C@H]2CCOC2)nnc1N1CC[NH+](CC(=O)NCC)CC1 ZINC000337837188 546067933 /nfs/dbraw/zinc/06/79/33/546067933.db2.gz CRTZPROYULFRKJ-AWEZNQCLSA-N 1 2 348.451 0.226 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(OC)nc(COC)n2)CC1 ZINC000355438390 546156462 /nfs/dbraw/zinc/15/64/62/546156462.db2.gz DSZQSNOKWHLOAI-UHFFFAOYSA-N 1 2 335.408 0.056 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cccc(CC#N)c2)[C@H](C)C1 ZINC000619497899 546334984 /nfs/dbraw/zinc/33/49/84/546334984.db2.gz MSDIWGDPJQILTJ-KGLIPLIRSA-N 1 2 337.445 0.828 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2cccc(CC#N)c2)[C@H](C)C1 ZINC000619497899 546334987 /nfs/dbraw/zinc/33/49/87/546334987.db2.gz MSDIWGDPJQILTJ-KGLIPLIRSA-N 1 2 337.445 0.828 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCN(c3ccc(F)cc3C(N)=O)CC2)C1=O ZINC000621381880 546510546 /nfs/dbraw/zinc/51/05/46/546510546.db2.gz AWBSQYQGIDPULH-INIZCTEOSA-N 1 2 346.406 0.834 20 30 ECEDLO C=CCOCCCNC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000668552745 547684762 /nfs/dbraw/zinc/68/47/62/547684762.db2.gz SNDPWYQJZFTAKU-UHFFFAOYSA-N 1 2 334.420 0.587 20 30 ECEDLO C=CCOCCCNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000669197745 547850162 /nfs/dbraw/zinc/85/01/62/547850162.db2.gz GZBXAJDIHKNSBC-CQSZACIVSA-N 1 2 332.404 0.485 20 30 ECEDLO C=CCCOCCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673594683 548519383 /nfs/dbraw/zinc/51/93/83/548519383.db2.gz SAJQEGNYFFMCQW-OAHLLOKOSA-N 1 2 339.436 0.019 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCN(C(=O)C(CC)CC)CC2)CC1 ZINC000748815109 579329205 /nfs/dbraw/zinc/32/92/05/579329205.db2.gz JQJAVADUHOLZIO-UHFFFAOYSA-N 1 2 348.491 0.344 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2c(CC)nn(C)c2CC)CC1 ZINC000753997907 579410467 /nfs/dbraw/zinc/41/04/67/579410467.db2.gz CWRDTPVFXXSXKV-UHFFFAOYSA-N 1 2 338.477 0.875 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccn(-c3ncccc3F)n2)CC1 ZINC000759124484 579486619 /nfs/dbraw/zinc/48/66/19/579486619.db2.gz OPSFLWVGZWRPED-UHFFFAOYSA-N 1 2 342.378 0.596 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](Cc2cccc3c2OCCO3)CC1 ZINC000728571568 578289810 /nfs/dbraw/zinc/28/98/10/578289810.db2.gz IYLRMOAMEBLZPO-UHFFFAOYSA-N 1 2 329.400 0.325 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2cccc3c2OCCO3)CC1 ZINC000728571568 578289811 /nfs/dbraw/zinc/28/98/11/578289811.db2.gz IYLRMOAMEBLZPO-UHFFFAOYSA-N 1 2 329.400 0.325 20 30 ECEDLO C=CCNC(=S)N1CC[NH+]([C@@H](C)C(=O)NCCCOC)CC1 ZINC000728796309 578291175 /nfs/dbraw/zinc/29/11/75/578291175.db2.gz WTWBMCUYUORUCG-ZDUSSCGKSA-N 1 2 328.482 0.206 20 30 ECEDLO CNC(=O)CNC(=S)N[NH+]=Cc1ccc(N(C)CCC#N)cc1 ZINC000731927650 578317622 /nfs/dbraw/zinc/31/76/22/578317622.db2.gz MLDWCPCEZUTVGF-UHFFFAOYSA-N 1 2 332.433 0.580 20 30 ECEDLO CCN(CC)c1ccc(C=[NH+]NC(=S)NCC(=O)NC)c(O)c1 ZINC000731929588 578317803 /nfs/dbraw/zinc/31/78/03/578317803.db2.gz IGGWRDQZEFKRLL-UHFFFAOYSA-N 1 2 337.449 0.782 20 30 ECEDLO N#Cc1cccc(CNC(=O)CO[NH+]=C(N)CN2CCOCC2)c1 ZINC000732195004 578320877 /nfs/dbraw/zinc/32/08/77/578320877.db2.gz JZRCLHNUJNEKSS-UHFFFAOYSA-N 1 2 331.376 0.005 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732810381 578329920 /nfs/dbraw/zinc/32/99/20/578329920.db2.gz LXGDEXDMVAEOBU-NSHDSACASA-N 1 2 334.342 0.844 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732810381 578329921 /nfs/dbraw/zinc/32/99/21/578329921.db2.gz LXGDEXDMVAEOBU-NSHDSACASA-N 1 2 334.342 0.844 20 30 ECEDLO C#CC[N@H+](Cc1ccccc1-c1nn[nH]n1)[C@H]1CCS(=O)(=O)C1 ZINC000735374123 578382867 /nfs/dbraw/zinc/38/28/67/578382867.db2.gz CLMZZOUACGLXBJ-ZDUSSCGKSA-N 1 2 331.401 0.489 20 30 ECEDLO C#CC[N@@H+](Cc1ccccc1-c1nn[nH]n1)[C@H]1CCS(=O)(=O)C1 ZINC000735374123 578382868 /nfs/dbraw/zinc/38/28/68/578382868.db2.gz CLMZZOUACGLXBJ-ZDUSSCGKSA-N 1 2 331.401 0.489 20 30 ECEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC000735429711 578384245 /nfs/dbraw/zinc/38/42/45/578384245.db2.gz VZKRMNGJADBTCG-UHFFFAOYSA-N 1 2 349.420 0.190 20 30 ECEDLO C=CCn1nnn(C[N@@H+]2C[C@H]3COCC[C@@]3(C(=O)OC)C2)c1=S ZINC000794681692 578597899 /nfs/dbraw/zinc/59/78/99/578597899.db2.gz BENYALBNUBHYEH-SMDDNHRTSA-N 1 2 339.421 0.464 20 30 ECEDLO C=CCn1nnn(C[N@H+]2C[C@H]3COCC[C@@]3(C(=O)OC)C2)c1=S ZINC000794681692 578597901 /nfs/dbraw/zinc/59/79/01/578597901.db2.gz BENYALBNUBHYEH-SMDDNHRTSA-N 1 2 339.421 0.464 20 30 ECEDLO COCCCO[NH+]=Cc1c(Cl)nc(N)nc1N1CCOCC1 ZINC000795050511 578603209 /nfs/dbraw/zinc/60/32/09/578603209.db2.gz FMVOHZRHNKFSRZ-UHFFFAOYSA-N 1 2 329.788 0.936 20 30 ECEDLO C[C@H](C(=O)N1CCC([N@H+](C)CC(F)F)CC1)n1cnc(C#N)n1 ZINC000798971321 578654823 /nfs/dbraw/zinc/65/48/23/578654823.db2.gz NGZNWFHNWPZEEB-SNVBAGLBSA-N 1 2 326.351 0.899 20 30 ECEDLO C[C@H](C(=O)N1CCC([N@@H+](C)CC(F)F)CC1)n1cnc(C#N)n1 ZINC000798971321 578654824 /nfs/dbraw/zinc/65/48/24/578654824.db2.gz NGZNWFHNWPZEEB-SNVBAGLBSA-N 1 2 326.351 0.899 20 30 ECEDLO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)c1ccc(C)c(C#N)c1 ZINC000799341671 578663744 /nfs/dbraw/zinc/66/37/44/578663744.db2.gz VRGJTEVKECYPED-UHFFFAOYSA-N 1 2 345.399 0.814 20 30 ECEDLO Nc1ncc(C=[NH+]Nc2ccc(S(=O)(=O)NC3CC3)cn2)cn1 ZINC000781590246 578711976 /nfs/dbraw/zinc/71/19/76/578711976.db2.gz WPJLWGLKPKVBNK-UHFFFAOYSA-N 1 2 333.377 0.341 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000783012713 578737422 /nfs/dbraw/zinc/73/74/22/578737422.db2.gz XAHCCRUPVNNLOK-GFCCVEGCSA-N 1 2 326.422 0.520 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1)[C@H]1CCCO1 ZINC000787632549 578811580 /nfs/dbraw/zinc/81/15/80/578811580.db2.gz DHAIDTRUYGJSRK-UONOGXRCSA-N 1 2 330.388 0.061 20 30 ECEDLO N#Cc1c2c(cn(C[N@H+]3CC[C@@H](N4CCCC4=O)C3)c1=O)CCC2 ZINC000766633353 579090365 /nfs/dbraw/zinc/09/03/65/579090365.db2.gz FBMIISOZKXQOJM-CQSZACIVSA-N 1 2 326.400 0.863 20 30 ECEDLO N#Cc1c2c(cn(C[N@@H+]3CC[C@@H](N4CCCC4=O)C3)c1=O)CCC2 ZINC000766633353 579090366 /nfs/dbraw/zinc/09/03/66/579090366.db2.gz FBMIISOZKXQOJM-CQSZACIVSA-N 1 2 326.400 0.863 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000769319988 579142789 /nfs/dbraw/zinc/14/27/89/579142789.db2.gz HENMBLFQGILUCN-UHFFFAOYSA-N 1 2 330.388 0.770 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000769319988 579142790 /nfs/dbraw/zinc/14/27/90/579142790.db2.gz HENMBLFQGILUCN-UHFFFAOYSA-N 1 2 330.388 0.770 20 30 ECEDLO C#C[C@H](NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)[C@H]1CCCO1 ZINC000773554986 579229887 /nfs/dbraw/zinc/22/98/87/579229887.db2.gz DKAWZNLDYCIVFP-JKSUJKDBSA-N 1 2 348.447 0.117 20 30 ECEDLO N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000774169105 579241649 /nfs/dbraw/zinc/24/16/49/579241649.db2.gz PNLPBKWJRAXNPG-UHFFFAOYSA-N 1 2 349.354 0.768 20 30 ECEDLO C#C[C@@H]([NH2+]CC(=O)Nc1cccc(S(C)(=O)=O)c1)[C@H]1CCCO1 ZINC000775798822 579271585 /nfs/dbraw/zinc/27/15/85/579271585.db2.gz LLSSXMLQTFDKCC-HUUCEWRRSA-N 1 2 336.413 0.799 20 30 ECEDLO COc1cc(C)nc(C=NNC(=S)NCC[NH+]2CCOCC2)c1 ZINC000776759114 579288938 /nfs/dbraw/zinc/28/89/38/579288938.db2.gz ICYFLRJXVNQQPV-UHFFFAOYSA-N 1 2 337.449 0.529 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccccc2OCC)CC1 ZINC000761024222 579519497 /nfs/dbraw/zinc/51/94/97/579519497.db2.gz LMDXMXQQLJWXKL-UHFFFAOYSA-N 1 2 337.445 0.671 20 30 ECEDLO C[S@@](=O)CC[NH+]1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000762224125 579538721 /nfs/dbraw/zinc/53/87/21/579538721.db2.gz WMXUMTABFHQPOS-XMMPIXPASA-N 1 2 348.424 0.290 20 30 ECEDLO CN(C)S(=O)(=O)N1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000763232135 579557279 /nfs/dbraw/zinc/55/72/79/579557279.db2.gz QWEZPNWUCVHWGQ-OAHLLOKOSA-N 1 2 338.433 0.016 20 30 ECEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000741143551 579766470 /nfs/dbraw/zinc/76/64/70/579766470.db2.gz JVCDUOAOFDVMTK-SHACYNPGSA-N 1 2 349.456 0.848 20 30 ECEDLO C#CCNC(=O)COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741357128 579772730 /nfs/dbraw/zinc/77/27/30/579772730.db2.gz UKBQIZORFOFEQG-MRXNPFEDSA-N 1 2 330.384 0.570 20 30 ECEDLO C#CCNC(=O)COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741357128 579772731 /nfs/dbraw/zinc/77/27/31/579772731.db2.gz UKBQIZORFOFEQG-MRXNPFEDSA-N 1 2 330.384 0.570 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)c(-n2cnnn2)c1 ZINC000741737422 579776724 /nfs/dbraw/zinc/77/67/24/579776724.db2.gz PAFXPICMMGRCEF-ZDUSSCGKSA-N 1 2 326.360 0.707 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)c(-n2cnnn2)c1 ZINC000741737422 579776725 /nfs/dbraw/zinc/77/67/25/579776725.db2.gz PAFXPICMMGRCEF-ZDUSSCGKSA-N 1 2 326.360 0.707 20 30 ECEDLO C[C@H]1C[NH+]=C(N2CCN(S(=O)(=O)N(C)CCC#N)CC2)S1 ZINC000745938680 579829754 /nfs/dbraw/zinc/82/97/54/579829754.db2.gz BJJNVCWSBDAXAL-NSHDSACASA-N 1 2 331.467 0.186 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)COc2cccc(C#N)c2)CC1 ZINC000747920625 579855608 /nfs/dbraw/zinc/85/56/08/579855608.db2.gz BEFVIXHYNHMOTL-UHFFFAOYSA-N 1 2 330.388 0.345 20 30 ECEDLO Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)=N1 ZINC000834480018 588901792 /nfs/dbraw/zinc/90/17/92/588901792.db2.gz KIRFPSZEUDGFPR-CMPLNLGQSA-N 1 2 329.335 0.867 20 30 ECEDLO CN(Cc1ccccc1)C(=O)CON=C(N)C[NH+]1CCSCC1 ZINC000121437662 588917557 /nfs/dbraw/zinc/91/75/57/588917557.db2.gz UVKNZKZDGRTSAT-UHFFFAOYSA-N 1 2 336.461 0.983 20 30 ECEDLO N#Cc1c(F)cccc1S(=O)(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000867294585 589030449 /nfs/dbraw/zinc/03/04/49/589030449.db2.gz JKSZBIPCUVTEAC-UHFFFAOYSA-N 1 2 339.392 0.650 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)N2CCS(=O)(=O)C[C@H]2C2CCC2)CC1 ZINC000891819041 586199005 /nfs/dbraw/zinc/19/90/05/586199005.db2.gz ZPAPQOAQAVKQDO-INIZCTEOSA-N 1 2 338.473 0.757 20 30 ECEDLO Cc1cc(F)c(C#N)c(NCC[NH+]2CCN(S(C)(=O)=O)CC2)c1 ZINC000891969191 586210072 /nfs/dbraw/zinc/21/00/72/586210072.db2.gz HTBRHAZIBVNXLK-UHFFFAOYSA-N 1 2 340.424 0.995 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc3c(n2)CCC3)CC1 ZINC000895918186 586212611 /nfs/dbraw/zinc/21/26/11/586212611.db2.gz KRMMLHVIRDGMDX-UHFFFAOYSA-N 1 2 334.445 0.156 20 30 ECEDLO C#CCNC(=O)C1CCN(c2cc(N[C@H](CC)CO)[nH+]cn2)CC1 ZINC000892149049 586224090 /nfs/dbraw/zinc/22/40/90/586224090.db2.gz WEHAZVXAKDZACF-CQSZACIVSA-N 1 2 331.420 0.625 20 30 ECEDLO C#CCNC(=O)C1CCN(c2cc(N[C@H](CC)CO)nc[nH+]2)CC1 ZINC000892149049 586224093 /nfs/dbraw/zinc/22/40/93/586224093.db2.gz WEHAZVXAKDZACF-CQSZACIVSA-N 1 2 331.420 0.625 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000896181387 586225012 /nfs/dbraw/zinc/22/50/12/586225012.db2.gz KLROHIQRPRKROK-INIZCTEOSA-N 1 2 347.459 0.762 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000896181387 586225014 /nfs/dbraw/zinc/22/50/14/586225014.db2.gz KLROHIQRPRKROK-INIZCTEOSA-N 1 2 347.459 0.762 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)O[C@H]1C[N@H+](C)[C@@](C)(C(=O)OC)C1 ZINC000893575036 586340984 /nfs/dbraw/zinc/34/09/84/586340984.db2.gz MFCWUIPCYSPLKK-DVOMOZLQSA-N 1 2 326.393 0.636 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)O[C@H]1C[N@@H+](C)[C@@](C)(C(=O)OC)C1 ZINC000893575036 586340986 /nfs/dbraw/zinc/34/09/86/586340986.db2.gz MFCWUIPCYSPLKK-DVOMOZLQSA-N 1 2 326.393 0.636 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)O[C@H]1C[N@H+](C)[C@](C)(C(=O)OC)C1 ZINC000893575043 586341015 /nfs/dbraw/zinc/34/10/15/586341015.db2.gz MFCWUIPCYSPLKK-WWGRRREGSA-N 1 2 326.393 0.636 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)O[C@H]1C[N@@H+](C)[C@](C)(C(=O)OC)C1 ZINC000893575043 586341017 /nfs/dbraw/zinc/34/10/17/586341017.db2.gz MFCWUIPCYSPLKK-WWGRRREGSA-N 1 2 326.393 0.636 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2c(O)cccc2OC)CC1 ZINC000900584829 586647467 /nfs/dbraw/zinc/64/74/67/586647467.db2.gz BVIRPJYZIOLYSI-UHFFFAOYSA-N 1 2 345.399 0.298 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c(O)cccc2OC)CC1 ZINC000900584829 586647469 /nfs/dbraw/zinc/64/74/69/586647469.db2.gz BVIRPJYZIOLYSI-UHFFFAOYSA-N 1 2 345.399 0.298 20 30 ECEDLO CN(Cc1cc(C#N)cs1)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000907570061 586737368 /nfs/dbraw/zinc/73/73/68/586737368.db2.gz USXIKVYIJIIXJP-GFCCVEGCSA-N 1 2 329.447 0.712 20 30 ECEDLO CN(Cc1cc(C#N)cs1)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000907570061 586737370 /nfs/dbraw/zinc/73/73/70/586737370.db2.gz USXIKVYIJIIXJP-GFCCVEGCSA-N 1 2 329.447 0.712 20 30 ECEDLO C=CC[C@@H]([NH2+]CCc1ccc(S(=O)(=O)NC)cc1)C(=O)OC ZINC000905777324 586913466 /nfs/dbraw/zinc/91/34/66/586913466.db2.gz KAIJBCOSTKOGME-CQSZACIVSA-N 1 2 326.418 0.845 20 30 ECEDLO CC(C)OCCS(=O)(=O)N1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000801923982 587006124 /nfs/dbraw/zinc/00/61/24/587006124.db2.gz HQEQKJGHAJQQAF-AWEZNQCLSA-N 1 2 333.454 0.287 20 30 ECEDLO Cc1cc(C#N)cc(C)c1CC(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000907116277 587015370 /nfs/dbraw/zinc/01/53/70/587015370.db2.gz XXWRPPOUBMPFIL-UHFFFAOYSA-N 1 2 328.416 0.656 20 30 ECEDLO Cc1cc(C#N)cc(C)c1CC(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000907116277 587015373 /nfs/dbraw/zinc/01/53/73/587015373.db2.gz XXWRPPOUBMPFIL-UHFFFAOYSA-N 1 2 328.416 0.656 20 30 ECEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)c1ccc(C#N)cn1 ZINC000907162769 587018589 /nfs/dbraw/zinc/01/85/89/587018589.db2.gz IMIOFBXYJFJVQS-UHFFFAOYSA-N 1 2 338.433 0.685 20 30 ECEDLO CN(CC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)c1ccc(C#N)cn1 ZINC000907162769 587018591 /nfs/dbraw/zinc/01/85/91/587018591.db2.gz IMIOFBXYJFJVQS-UHFFFAOYSA-N 1 2 338.433 0.685 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCCC12OCCO2 ZINC000806921374 587112158 /nfs/dbraw/zinc/11/21/58/587112158.db2.gz CDEYQWLBAQTGOM-OAHLLOKOSA-N 1 2 337.420 0.604 20 30 ECEDLO C#CCC(CC#C)C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000807221823 587122222 /nfs/dbraw/zinc/12/22/22/587122222.db2.gz HCUFLJAFXAHEAI-HNNXBMFYSA-N 1 2 326.400 0.690 20 30 ECEDLO Cc1nnc(NN=C2c3ccccc3N(CC[NH+](C)C)C2=O)[nH]c1=O ZINC000807949203 587140625 /nfs/dbraw/zinc/14/06/25/587140625.db2.gz FZGHBIBHWPNTGK-UHFFFAOYSA-N 1 2 341.375 0.610 20 30 ECEDLO C#CCC[C@H](O)CNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000811492736 587220470 /nfs/dbraw/zinc/22/04/70/587220470.db2.gz APXVYBIPVYJKGJ-LSDHHAIUSA-N 1 2 334.420 0.374 20 30 ECEDLO C#CCC[C@H](O)CNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000811492736 587220471 /nfs/dbraw/zinc/22/04/71/587220471.db2.gz APXVYBIPVYJKGJ-LSDHHAIUSA-N 1 2 334.420 0.374 20 30 ECEDLO CON(C)C(=O)C1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000812293536 587233775 /nfs/dbraw/zinc/23/37/75/587233775.db2.gz ULSPSTYFVHEYAH-UHFFFAOYSA-N 1 2 344.415 0.898 20 30 ECEDLO Fc1ccc2c(c1)OCC2=NNC(=S)NCC[NH+]1CCOCC1 ZINC000814716477 587279016 /nfs/dbraw/zinc/27/90/16/587279016.db2.gz LMRMQSADNPMZNX-UHFFFAOYSA-N 1 2 338.408 0.719 20 30 ECEDLO CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000816506425 587314804 /nfs/dbraw/zinc/31/48/04/587314804.db2.gz CEBFWDQDVVXMIZ-HUUCEWRRSA-N 1 2 329.441 0.767 20 30 ECEDLO CCn1nc(C)c(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)n1 ZINC000819378983 587478115 /nfs/dbraw/zinc/47/81/15/587478115.db2.gz BNZXSXJWQUMJJO-UHFFFAOYSA-N 1 2 334.405 0.437 20 30 ECEDLO COC(=O)C1(C#N)CC[NH+]([C@@H]2CC(=O)N(CCC(C)C)C2=O)CC1 ZINC000821780503 587630551 /nfs/dbraw/zinc/63/05/51/587630551.db2.gz AJWSGLFFZHILNW-CYBMUJFWSA-N 1 2 335.404 0.939 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000823919976 587844170 /nfs/dbraw/zinc/84/41/70/587844170.db2.gz VGRAGCFCCVCJCE-UHFFFAOYSA-N 1 2 347.448 0.348 20 30 ECEDLO C#CCCN(CCOC)C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000827147554 588102206 /nfs/dbraw/zinc/10/22/06/588102206.db2.gz STPUUVGDFAMMJV-UHFFFAOYSA-N 1 2 346.431 0.376 20 30 ECEDLO C=C(C)C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(=O)OC ZINC000828111689 588159288 /nfs/dbraw/zinc/15/92/88/588159288.db2.gz QABAZLJXWBPCSC-KFWWJZLASA-N 1 2 340.420 0.490 20 30 ECEDLO CC(C)(C)OC(=O)CS(=O)(=O)CC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000829999196 588353074 /nfs/dbraw/zinc/35/30/74/588353074.db2.gz YTWUVHBLVBPOTJ-AWEZNQCLSA-N 1 2 332.422 0.093 20 30 ECEDLO CC(C)(C)OC(=O)CS(=O)(=O)CC[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000829999196 588353076 /nfs/dbraw/zinc/35/30/76/588353076.db2.gz YTWUVHBLVBPOTJ-AWEZNQCLSA-N 1 2 332.422 0.093 20 30 ECEDLO CCCNC(=O)CN(C)C(=O)C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844366366 589109433 /nfs/dbraw/zinc/10/94/33/589109433.db2.gz ISEXCLICZJAKEX-INIZCTEOSA-N 1 2 346.431 0.508 20 30 ECEDLO CCCNC(=O)CN(C)C(=O)C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844366366 589109434 /nfs/dbraw/zinc/10/94/34/589109434.db2.gz ISEXCLICZJAKEX-INIZCTEOSA-N 1 2 346.431 0.508 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000867414770 589198450 /nfs/dbraw/zinc/19/84/50/589198450.db2.gz AVOBDMCUZMOFIZ-VXGBXAGGSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000867414770 589198451 /nfs/dbraw/zinc/19/84/51/589198451.db2.gz AVOBDMCUZMOFIZ-VXGBXAGGSA-N 1 2 341.408 0.773 20 30 ECEDLO C=C(C)CONC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000846538511 589211235 /nfs/dbraw/zinc/21/12/35/589211235.db2.gz IZAYCJROBGGLGP-CQSZACIVSA-N 1 2 325.409 0.324 20 30 ECEDLO C#CCCN(CCOC)C(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000850710276 589381279 /nfs/dbraw/zinc/38/12/79/589381279.db2.gz XOHUQZFFSFDDFV-UHFFFAOYSA-N 1 2 332.404 0.545 20 30 ECEDLO C#CCOCCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000852250654 589452967 /nfs/dbraw/zinc/45/29/67/589452967.db2.gz BJAXSQGYIIDUNO-MSOLQXFVSA-N 1 2 343.427 0.931 20 30 ECEDLO C#CCOCCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000852250654 589452968 /nfs/dbraw/zinc/45/29/68/589452968.db2.gz BJAXSQGYIIDUNO-MSOLQXFVSA-N 1 2 343.427 0.931 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCOc3ccc(O)cc3C2)CC1 ZINC000852690004 589506516 /nfs/dbraw/zinc/50/65/16/589506516.db2.gz QFPQLQCOEDVFMQ-UHFFFAOYSA-N 1 2 329.400 0.364 20 30 ECEDLO C=CC[N@H+](CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O)[C@H](C)COC ZINC000853535617 589546579 /nfs/dbraw/zinc/54/65/79/589546579.db2.gz XOURLIKJCOCAIJ-UKRRQHHQSA-N 1 2 334.420 0.818 20 30 ECEDLO C=CC[N@@H+](CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O)[C@H](C)COC ZINC000853535617 589546580 /nfs/dbraw/zinc/54/65/80/589546580.db2.gz XOURLIKJCOCAIJ-UKRRQHHQSA-N 1 2 334.420 0.818 20 30 ECEDLO C#CCC[N@@H+](CCOC)CN1C(=O)N[C@@](CC)(c2cnn(C)c2)C1=O ZINC000853620979 589552406 /nfs/dbraw/zinc/55/24/06/589552406.db2.gz LVFKCSWXDZVERA-KRWDZBQOSA-N 1 2 347.419 0.506 20 30 ECEDLO C#CCC[N@H+](CCOC)CN1C(=O)N[C@@](CC)(c2cnn(C)c2)C1=O ZINC000853620979 589552407 /nfs/dbraw/zinc/55/24/07/589552407.db2.gz LVFKCSWXDZVERA-KRWDZBQOSA-N 1 2 347.419 0.506 20 30 ECEDLO C#CCSCC(=O)OCC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000885896873 589722271 /nfs/dbraw/zinc/72/22/71/589722271.db2.gz WTDPAJHNBMZRBT-UHFFFAOYSA-N 1 2 336.413 0.833 20 30 ECEDLO C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2COCC[N@@H+]2C)n1 ZINC000858839298 589777795 /nfs/dbraw/zinc/77/77/95/589777795.db2.gz BDXDQPQNFYQAKX-MRXNPFEDSA-N 1 2 349.435 0.005 20 30 ECEDLO C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2COCC[N@H+]2C)n1 ZINC000858839298 589777799 /nfs/dbraw/zinc/77/77/99/589777799.db2.gz BDXDQPQNFYQAKX-MRXNPFEDSA-N 1 2 349.435 0.005 20 30 ECEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000858841220 589778676 /nfs/dbraw/zinc/77/86/76/589778676.db2.gz PLNUNHCCMIHINT-IAGOWNOFSA-N 1 2 344.415 0.972 20 30 ECEDLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000858841220 589778679 /nfs/dbraw/zinc/77/86/79/589778679.db2.gz PLNUNHCCMIHINT-IAGOWNOFSA-N 1 2 344.415 0.972 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNC(=O)N2CCc3ccccc3C2)CC1 ZINC000116762792 589841770 /nfs/dbraw/zinc/84/17/70/589841770.db2.gz RIOSVIJVRYQJAG-UHFFFAOYSA-N 1 2 340.427 0.532 20 30 ECEDLO N#Cc1ccc(N2CCN(C(=O)C3([NH+]4CCOCC4)CC3)CC2)cn1 ZINC000867936776 589863996 /nfs/dbraw/zinc/86/39/96/589863996.db2.gz JWOIYAGRMFWPNO-UHFFFAOYSA-N 1 2 341.415 0.467 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000862190462 589929338 /nfs/dbraw/zinc/92/93/38/589929338.db2.gz UHODWHKSAQWKCJ-CYBMUJFWSA-N 1 2 341.371 0.750 20 30 ECEDLO N#C[C@@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)CCCOC1 ZINC000869486339 589968041 /nfs/dbraw/zinc/96/80/41/589968041.db2.gz WWQPGOHKMMFLHO-AEFFLSMTSA-N 1 2 344.415 0.719 20 30 ECEDLO N#C[C@@]1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)CCCOC1 ZINC000869486339 589968043 /nfs/dbraw/zinc/96/80/43/589968043.db2.gz WWQPGOHKMMFLHO-AEFFLSMTSA-N 1 2 344.415 0.719 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870060618 589993404 /nfs/dbraw/zinc/99/34/04/589993404.db2.gz JNDFBRBFIKTTTI-GOSISDBHSA-N 1 2 328.412 0.770 20 30 ECEDLO N#Cc1cccc(OCC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000870070653 589997200 /nfs/dbraw/zinc/99/72/00/589997200.db2.gz YORRGSLLXSOBIC-KRWDZBQOSA-N 1 2 345.399 0.497 20 30 ECEDLO C#CCN1C(=O)C[C@@H]([N@H+]2CCc3cccc(NC(C)=O)c3C2)C1=O ZINC000864350460 590076419 /nfs/dbraw/zinc/07/64/19/590076419.db2.gz FRKNZBZEXAEOLO-MRXNPFEDSA-N 1 2 325.368 0.764 20 30 ECEDLO C#CCN1C(=O)C[C@@H]([N@@H+]2CCc3cccc(NC(C)=O)c3C2)C1=O ZINC000864350460 590076420 /nfs/dbraw/zinc/07/64/20/590076420.db2.gz FRKNZBZEXAEOLO-MRXNPFEDSA-N 1 2 325.368 0.764 20 30 ECEDLO C#CCN1C(=O)C[C@H]([N@H+]2CCc3cccc(NC(C)=O)c3C2)C1=O ZINC000864350459 590076429 /nfs/dbraw/zinc/07/64/29/590076429.db2.gz FRKNZBZEXAEOLO-INIZCTEOSA-N 1 2 325.368 0.764 20 30 ECEDLO C#CCN1C(=O)C[C@H]([N@@H+]2CCc3cccc(NC(C)=O)c3C2)C1=O ZINC000864350459 590076431 /nfs/dbraw/zinc/07/64/31/590076431.db2.gz FRKNZBZEXAEOLO-INIZCTEOSA-N 1 2 325.368 0.764 20 30 ECEDLO N#C[C@@]1(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCCOC1 ZINC000864923962 590116866 /nfs/dbraw/zinc/11/68/66/590116866.db2.gz OWTHMEXKMLURLB-KRWDZBQOSA-N 1 2 344.419 0.035 20 30 ECEDLO 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/nfs/dbraw/zinc/30/50/34/590305034.db2.gz HXIJXEWTXSDART-JKSUJKDBSA-N 1 2 344.415 0.850 20 30 ECEDLO C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@H+](C)CCc1cccc(C#N)c1 ZINC000879434228 590311615 /nfs/dbraw/zinc/31/16/15/590311615.db2.gz GJNHBQCQZRPVIW-BBRMVZONSA-N 1 2 349.456 0.724 20 30 ECEDLO C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879434228 590311618 /nfs/dbraw/zinc/31/16/18/590311618.db2.gz GJNHBQCQZRPVIW-BBRMVZONSA-N 1 2 349.456 0.724 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000875597014 590312262 /nfs/dbraw/zinc/31/22/62/590312262.db2.gz YBGMDLLUISOVEI-CABCVRRESA-N 1 2 346.431 0.671 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](CC(=O)NC(=O)NC3CC3)CC2)cc1 ZINC000879584600 590326341 /nfs/dbraw/zinc/32/63/41/590326341.db2.gz DROJIFJDAGGRLV-UHFFFAOYSA-N 1 2 327.388 0.668 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCCN(C(=O)CC(C)C)CC2)CC1 ZINC000879759922 590341930 /nfs/dbraw/zinc/34/19/30/590341930.db2.gz IUJFWFYROWTAQQ-UHFFFAOYSA-N 1 2 348.491 0.344 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCCN(C(=O)CC(C)C)CC2)CC1 ZINC000879759922 590341933 /nfs/dbraw/zinc/34/19/33/590341933.db2.gz IUJFWFYROWTAQQ-UHFFFAOYSA-N 1 2 348.491 0.344 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000880015331 590361379 /nfs/dbraw/zinc/36/13/79/590361379.db2.gz IIJZIGYISFBTHF-TUKIKUTGSA-N 1 2 343.449 0.143 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000880015331 590361381 /nfs/dbraw/zinc/36/13/81/590361381.db2.gz IIJZIGYISFBTHF-TUKIKUTGSA-N 1 2 343.449 0.143 20 30 ECEDLO CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000880143019 590371372 /nfs/dbraw/zinc/37/13/72/590371372.db2.gz XJXSKXHIXFAJDL-LSDHHAIUSA-N 1 2 334.445 0.895 20 30 ECEDLO CN1CCC[C@@H]2[C@@H]1CC[N@H+]2CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000880143019 590371375 /nfs/dbraw/zinc/37/13/75/590371375.db2.gz XJXSKXHIXFAJDL-LSDHHAIUSA-N 1 2 334.445 0.895 20 30 ECEDLO CC(=O)N1C[C@@H]2C[N@@H+](CCS(=O)(=O)c3cccc(C#N)c3)C[C@@H]2C1 ZINC000880311723 590382899 /nfs/dbraw/zinc/38/28/99/590382899.db2.gz MKSDASWGNJZKOF-IYBDPMFKSA-N 1 2 347.440 0.742 20 30 ECEDLO CC(=O)N1C[C@@H]2C[N@H+](CCS(=O)(=O)c3cccc(C#N)c3)C[C@@H]2C1 ZINC000880311723 590382900 /nfs/dbraw/zinc/38/29/00/590382900.db2.gz MKSDASWGNJZKOF-IYBDPMFKSA-N 1 2 347.440 0.742 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2ccc(CN3C(=O)CCC3=O)cc2)CC1 ZINC000128436479 590393459 /nfs/dbraw/zinc/39/34/59/590393459.db2.gz FZMIVQDFBGCPNT-UHFFFAOYSA-N 1 2 339.395 0.727 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@]2(C1)CN(Cc1ccccc1)C(=O)CO2 ZINC000880494393 590397438 /nfs/dbraw/zinc/39/74/38/590397438.db2.gz ATPLHNMPGTXKGK-SFHVURJKSA-N 1 2 342.399 0.130 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@]2(C1)CN(Cc1ccccc1)C(=O)CO2 ZINC000880494393 590397441 /nfs/dbraw/zinc/39/74/41/590397441.db2.gz ATPLHNMPGTXKGK-SFHVURJKSA-N 1 2 342.399 0.130 20 30 ECEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000878274976 590512114 /nfs/dbraw/zinc/51/21/14/590512114.db2.gz XXCBSJWQVUBLJG-CHWSQXEVSA-N 1 2 330.392 0.753 20 30 ECEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000878274976 590512115 /nfs/dbraw/zinc/51/21/15/590512115.db2.gz XXCBSJWQVUBLJG-CHWSQXEVSA-N 1 2 330.392 0.753 20 30 ECEDLO C#CCCCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000127618971 590574767 /nfs/dbraw/zinc/57/47/67/590574767.db2.gz HOJIQIPHASXKKY-UHFFFAOYSA-N 1 2 329.466 0.598 20 30 ECEDLO C[N@H+](CC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1)CC(C)(C)C ZINC000885311540 590713539 /nfs/dbraw/zinc/71/35/39/590713539.db2.gz VAHHPBDTSYFKKC-DOMZBBRYSA-N 1 2 327.450 0.361 20 30 ECEDLO C[N@@H+](CC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1)CC(C)(C)C ZINC000885311540 590713540 /nfs/dbraw/zinc/71/35/40/590713540.db2.gz VAHHPBDTSYFKKC-DOMZBBRYSA-N 1 2 327.450 0.361 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2nc[nH]c2Br)C1 ZINC000885508284 590729189 /nfs/dbraw/zinc/72/91/89/590729189.db2.gz DVWXIFUIDPLETH-SECBINFHSA-N 1 2 347.238 0.548 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2nc[nH]c2Br)C1 ZINC000885508284 590729191 /nfs/dbraw/zinc/72/91/91/590729191.db2.gz DVWXIFUIDPLETH-SECBINFHSA-N 1 2 347.238 0.548 20 30 ECEDLO CC(C)C[C@H]1COCC1=NNC(=S)NCC[NH+]1CCOCC1 ZINC000884381021 590817134 /nfs/dbraw/zinc/81/71/34/590817134.db2.gz SCYYPYPWVBCYRX-ZDUSSCGKSA-N 1 2 328.482 0.831 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)NCc2ccccc2S(C)(=O)=O)C1 ZINC000884413966 590823186 /nfs/dbraw/zinc/82/31/86/590823186.db2.gz HLVQNMKZKWRMHS-HNNXBMFYSA-N 1 2 349.456 0.987 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccccc2S(C)(=O)=O)C1 ZINC000884413966 590823190 /nfs/dbraw/zinc/82/31/90/590823190.db2.gz HLVQNMKZKWRMHS-HNNXBMFYSA-N 1 2 349.456 0.987 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCc2nc(C(C)C)ncc2C1 ZINC000884429300 590825745 /nfs/dbraw/zinc/82/57/45/590825745.db2.gz DLORFTPFOXYZFP-ZDUSSCGKSA-N 1 2 332.404 0.931 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1Cc2ccccc2N(C)C(=O)C1 ZINC000884434213 590826812 /nfs/dbraw/zinc/82/68/12/590826812.db2.gz DXHNZDQNKVBKJI-ZDUSSCGKSA-N 1 2 331.372 0.438 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2nnc(-c3ccncc3)[nH]2)C1 ZINC000889247682 591046104 /nfs/dbraw/zinc/04/61/04/591046104.db2.gz SJJHVCBGWQVZRM-CQSZACIVSA-N 1 2 339.403 0.764 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2nnc(-c3ccncc3)[nH]2)C1 ZINC000889247682 591046106 /nfs/dbraw/zinc/04/61/06/591046106.db2.gz SJJHVCBGWQVZRM-CQSZACIVSA-N 1 2 339.403 0.764 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2n[nH]c(-c3ccncc3)n2)C1 ZINC000889247682 591046112 /nfs/dbraw/zinc/04/61/12/591046112.db2.gz SJJHVCBGWQVZRM-CQSZACIVSA-N 1 2 339.403 0.764 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000890366529 591152139 /nfs/dbraw/zinc/15/21/39/591152139.db2.gz AIWLUIUIGCEVPX-HIFRSBDPSA-N 1 2 347.440 0.912 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000890366529 591152141 /nfs/dbraw/zinc/15/21/41/591152141.db2.gz AIWLUIUIGCEVPX-HIFRSBDPSA-N 1 2 347.440 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/nfs/dbraw/zinc/66/63/07/608666307.db2.gz LCCNOFHDUBPDOJ-UHFFFAOYSA-N 1 2 330.432 0.923 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H](CC#N)C(F)(F)F ZINC000932914814 608682230 /nfs/dbraw/zinc/68/22/30/608682230.db2.gz XVQUQQQZOBJLQI-WDEREUQCSA-N 1 2 338.330 0.165 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3coc(COC)n3)CC2)C1 ZINC000949504974 608718821 /nfs/dbraw/zinc/71/88/21/608718821.db2.gz YQDMGPPRFKZINJ-UHFFFAOYSA-N 1 2 333.388 0.761 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3coc(COC)n3)CC2)C1 ZINC000949504974 608718823 /nfs/dbraw/zinc/71/88/23/608718823.db2.gz YQDMGPPRFKZINJ-UHFFFAOYSA-N 1 2 333.388 0.761 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)c[nH]1 ZINC000937486364 608815453 /nfs/dbraw/zinc/81/54/53/608815453.db2.gz OKYDKKQIZFURGO-HNNXBMFYSA-N 1 2 340.387 0.963 20 30 ECEDLO CN(C(=O)Cn1cc[nH+]c1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000937175525 609018678 /nfs/dbraw/zinc/01/86/78/609018678.db2.gz LBCPMUOHQJICFH-ZDUSSCGKSA-N 1 2 326.360 0.456 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)c1 ZINC000937799374 609090732 /nfs/dbraw/zinc/09/07/32/609090732.db2.gz MZKBZNSZFHPECO-ZDUSSCGKSA-N 1 2 326.360 0.504 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000937270617 609095133 /nfs/dbraw/zinc/09/51/33/609095133.db2.gz DAWLQCVLOHJMRD-ZDUSSCGKSA-N 1 2 340.387 0.915 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000937844096 609110914 /nfs/dbraw/zinc/11/09/14/609110914.db2.gz FLXMRYRTFKMXLX-LBPRGKRZSA-N 1 2 326.360 0.193 20 30 ECEDLO C#CC[C@@H](CO)NC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000923919418 609470636 /nfs/dbraw/zinc/47/06/36/609470636.db2.gz PYJSPJCFNHSLAI-ZWKOTPCHSA-N 1 2 345.443 0.879 20 30 ECEDLO C#CC[C@@H](CO)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000923919418 609470638 /nfs/dbraw/zinc/47/06/38/609470638.db2.gz PYJSPJCFNHSLAI-ZWKOTPCHSA-N 1 2 345.443 0.879 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(CC)[nH]n2)C1 ZINC000938172334 609484892 /nfs/dbraw/zinc/48/48/92/609484892.db2.gz UYDBRXMDBFJNAK-HOCLYGCPSA-N 1 2 343.431 0.400 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(CC)[nH]n2)C1 ZINC000938172334 609484893 /nfs/dbraw/zinc/48/48/93/609484893.db2.gz UYDBRXMDBFJNAK-HOCLYGCPSA-N 1 2 343.431 0.400 20 30 ECEDLO C=CCOC[C@H](NC(=O)/C=C(/C)C[NH+]1CCOCC1)C(=O)OC ZINC000907926608 609630898 /nfs/dbraw/zinc/63/08/98/609630898.db2.gz BBKZDPRHFNUTHL-ZVHGMHCTSA-N 1 2 326.393 0.125 20 30 ECEDLO C=CCOC[C@@H](NC(=O)/C=C(/C)C[NH+]1CCOCC1)C(=O)OC ZINC000907926606 609631044 /nfs/dbraw/zinc/63/10/44/609631044.db2.gz BBKZDPRHFNUTHL-QLKUMGTLSA-N 1 2 326.393 0.125 20 30 ECEDLO C[N@@H+]1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C[C@@H]1CO ZINC000913544006 609689795 /nfs/dbraw/zinc/68/97/95/609689795.db2.gz UXGMLIPUCDNMTP-LSDHHAIUSA-N 1 2 346.406 0.659 20 30 ECEDLO C[N@H+]1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C[C@@H]1CO ZINC000913544006 609689797 /nfs/dbraw/zinc/68/97/97/609689797.db2.gz UXGMLIPUCDNMTP-LSDHHAIUSA-N 1 2 346.406 0.659 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000938322183 609735518 /nfs/dbraw/zinc/73/55/18/609735518.db2.gz OTVIMXPXHDGBOJ-LBPRGKRZSA-N 1 2 326.360 0.193 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2coc(CN3CC[C@H](OC)C3)n2)C1 ZINC000923596421 609811040 /nfs/dbraw/zinc/81/10/40/609811040.db2.gz HASVBWIUGILBIH-CABCVRRESA-N 1 2 346.431 0.723 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2coc(CN3CC[C@H](OC)C3)n2)C1 ZINC000923596421 609811041 /nfs/dbraw/zinc/81/10/41/609811041.db2.gz HASVBWIUGILBIH-CABCVRRESA-N 1 2 346.431 0.723 20 30 ECEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CCC2)[C@@H]([C@H]2CCCO2)C1 ZINC000933185041 611714056 /nfs/dbraw/zinc/71/40/56/611714056.db2.gz ZZQSNFPMIXIHGT-RBSFLKMASA-N 1 2 349.431 0.981 20 30 ECEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CCC2)[C@@H]([C@H]2CCCO2)C1 ZINC000933185041 611714061 /nfs/dbraw/zinc/71/40/61/611714061.db2.gz ZZQSNFPMIXIHGT-RBSFLKMASA-N 1 2 349.431 0.981 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2csc(C#N)c2)C[C@@H]1C ZINC000914191689 609864150 /nfs/dbraw/zinc/86/41/50/609864150.db2.gz CKVNHOBHSBUXQF-RYUDHWBXSA-N 1 2 343.474 0.836 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2csc(C#N)c2)C[C@@H]1C ZINC000914191689 609864152 /nfs/dbraw/zinc/86/41/52/609864152.db2.gz CKVNHOBHSBUXQF-RYUDHWBXSA-N 1 2 343.474 0.836 20 30 ECEDLO C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C[C@@H](C)N1CC#N ZINC000915854136 609924933 /nfs/dbraw/zinc/92/49/33/609924933.db2.gz FYXSPDHSFHNBMB-HUUCEWRRSA-N 1 2 337.468 0.725 20 30 ECEDLO C[C@@H]1CN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C[C@@H](C)N1CC#N ZINC000915854136 609924934 /nfs/dbraw/zinc/92/49/34/609924934.db2.gz FYXSPDHSFHNBMB-HUUCEWRRSA-N 1 2 337.468 0.725 20 30 ECEDLO C=CC[N@@H+](CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000917069129 609961290 /nfs/dbraw/zinc/96/12/90/609961290.db2.gz IYQONGYRDMASIM-CQSZACIVSA-N 1 2 332.466 0.545 20 30 ECEDLO C=CC[N@H+](CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000917069129 609961292 /nfs/dbraw/zinc/96/12/92/609961292.db2.gz IYQONGYRDMASIM-CQSZACIVSA-N 1 2 332.466 0.545 20 30 ECEDLO C#CCC[NH+]1CC(N2CCN(C(=O)c3c[nH]cc4ncnc3-4)CC2)C1 ZINC000941417024 610304427 /nfs/dbraw/zinc/30/44/27/610304427.db2.gz SVBCWOFFCHJAIL-UHFFFAOYSA-N 1 2 338.415 0.423 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c(C)noc3C(F)F)CC2)C1 ZINC000941446886 610322191 /nfs/dbraw/zinc/32/21/91/610322191.db2.gz HMANJABCUUJSIO-UHFFFAOYSA-N 1 2 338.358 0.996 20 30 ECEDLO C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC2)C1 ZINC000941455331 610327555 /nfs/dbraw/zinc/32/75/55/610327555.db2.gz OCTPOHJGULPGIT-CQSZACIVSA-N 1 2 343.493 0.214 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cn4cc(C)ccc4n3)CC2)C1 ZINC000941455428 610327655 /nfs/dbraw/zinc/32/76/55/610327655.db2.gz QPGUOMUEUOEECO-UHFFFAOYSA-N 1 2 337.427 0.718 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC000941484990 610337541 /nfs/dbraw/zinc/33/75/41/610337541.db2.gz LMUKQDKPQOZMLP-CYBMUJFWSA-N 1 2 330.388 0.853 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@H]3CCOC[C@@H]3OCC)CC2)C1 ZINC000941489276 610339699 /nfs/dbraw/zinc/33/96/99/610339699.db2.gz DOZFYUUAXIPVDN-AEFFLSMTSA-N 1 2 349.475 0.280 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCc3nc(C)no3)CC2)C1 ZINC000941509592 610350186 /nfs/dbraw/zinc/35/01/86/610350186.db2.gz SFCMUXHXRXQKKR-UHFFFAOYSA-N 1 2 331.420 0.162 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c[nH]c(=O)cc3C)CC2)C1 ZINC000941563794 610384443 /nfs/dbraw/zinc/38/44/43/610384443.db2.gz OFNRSHRSOGRUTP-UHFFFAOYSA-N 1 2 328.416 0.561 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccn(C(C)C)n3)CC2)C1 ZINC000941590609 610386972 /nfs/dbraw/zinc/38/69/72/610386972.db2.gz RMIVUEBJRIKWCM-UHFFFAOYSA-N 1 2 329.448 0.929 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@H](C(N)=O)C3)CC2)C1 ZINC000941592327 610388259 /nfs/dbraw/zinc/38/82/59/610388259.db2.gz HPDCAZVCWLHSSR-HOTGVXAUSA-N 1 2 346.475 0.130 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@@H](C(N)=O)C3)CC2)C1 ZINC000941592328 610388282 /nfs/dbraw/zinc/38/82/82/610388282.db2.gz HPDCAZVCWLHSSR-HZPDHXFCSA-N 1 2 346.475 0.130 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4ccccc4O3)CC2)C1 ZINC000941605477 610404395 /nfs/dbraw/zinc/40/43/95/610404395.db2.gz KAIVNYQSQOKVRK-LJQANCHMSA-N 1 2 339.439 0.842 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(C)CCC2)C[C@H]1OC ZINC000942516781 610496039 /nfs/dbraw/zinc/49/60/39/610496039.db2.gz UYCDDDWJFALHNA-OWCLPIDISA-N 1 2 347.459 0.616 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(C)CCC2)C[C@H]1OC ZINC000942516781 610496041 /nfs/dbraw/zinc/49/60/41/610496041.db2.gz UYCDDDWJFALHNA-OWCLPIDISA-N 1 2 347.459 0.616 20 30 ECEDLO C=C1CCC(C(=O)N2C[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](OC)C2)CC1 ZINC000942549152 610508523 /nfs/dbraw/zinc/50/85/23/610508523.db2.gz IDNUEZJKOKNBQP-HZPDHXFCSA-N 1 2 346.431 0.972 20 30 ECEDLO Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](C)C2)[nH]1 ZINC000941929029 610566926 /nfs/dbraw/zinc/56/69/26/610566926.db2.gz IJHDYULQTKSWPF-GXFFZTMASA-N 1 2 327.392 0.953 20 30 ECEDLO Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](C)C2)[nH]1 ZINC000941929029 610566928 /nfs/dbraw/zinc/56/69/28/610566928.db2.gz IJHDYULQTKSWPF-GXFFZTMASA-N 1 2 327.392 0.953 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ncnn3C)C[C@@H]2C)nc1 ZINC000944191720 610775680 /nfs/dbraw/zinc/77/56/80/610775680.db2.gz FBTMPJOGTSZQGH-DZGCQCFKSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ncnn3C)C[C@@H]2C)nc1 ZINC000944191720 610775683 /nfs/dbraw/zinc/77/56/83/610775683.db2.gz FBTMPJOGTSZQGH-DZGCQCFKSA-N 1 2 338.415 0.832 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CCCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000943479062 610867103 /nfs/dbraw/zinc/86/71/03/610867103.db2.gz VSXAEPHOPZTWEI-ZDUSSCGKSA-N 1 2 340.387 0.963 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnn(C)n3)C[C@@H]2C)nn1 ZINC000943482168 610868788 /nfs/dbraw/zinc/86/87/88/610868788.db2.gz OENSXJXBHPIYTC-GXTWGEPZSA-N 1 2 344.423 0.233 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cnn(C)n3)C[C@@H]2C)nn1 ZINC000943482168 610868789 /nfs/dbraw/zinc/86/87/89/610868789.db2.gz OENSXJXBHPIYTC-GXTWGEPZSA-N 1 2 344.423 0.233 20 30 ECEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945278578 610994594 /nfs/dbraw/zinc/99/45/94/610994594.db2.gz RPWQWZJUDRSEHR-TZMCWYRMSA-N 1 2 340.387 0.750 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC000946023989 611199814 /nfs/dbraw/zinc/19/98/14/611199814.db2.gz CKCFWEAEWHPSHW-LSDHHAIUSA-N 1 2 326.400 0.815 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC000946325508 611219794 /nfs/dbraw/zinc/21/97/94/611219794.db2.gz MWFVQRNXATZZFM-OCCSQVGLSA-N 1 2 340.387 0.867 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)Sc2nnnn2C2CC2)C1 ZINC000923580778 611268757 /nfs/dbraw/zinc/26/87/57/611268757.db2.gz COSDGTKHLYCYDP-NWDGAFQWSA-N 1 2 334.449 0.702 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)Sc2nnnn2C2CC2)C1 ZINC000923580778 611268758 /nfs/dbraw/zinc/26/87/58/611268758.db2.gz COSDGTKHLYCYDP-NWDGAFQWSA-N 1 2 334.449 0.702 20 30 ECEDLO C[N@H+](CCS(C)(=O)=O)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000076492967 611269802 /nfs/dbraw/zinc/26/98/02/611269802.db2.gz NHANOTMAPPNTKN-CQSZACIVSA-N 1 2 326.418 0.469 20 30 ECEDLO C[N@@H+](CCS(C)(=O)=O)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000076492967 611269803 /nfs/dbraw/zinc/26/98/03/611269803.db2.gz NHANOTMAPPNTKN-CQSZACIVSA-N 1 2 326.418 0.469 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cnn(C)n3)[C@@H](C)C2)nc1 ZINC000947946504 611751765 /nfs/dbraw/zinc/75/17/65/611751765.db2.gz AWMLBISYVXWXMG-ZFWWWQNUSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(C)n3)[C@@H](C)C2)nc1 ZINC000947946504 611751767 /nfs/dbraw/zinc/75/17/67/611751767.db2.gz AWMLBISYVXWXMG-ZFWWWQNUSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3nncn3C)[C@H](C)C2)nc1 ZINC000947948639 611752613 /nfs/dbraw/zinc/75/26/13/611752613.db2.gz OQMSLEREMDNYTL-UKRRQHHQSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nncn3C)[C@H](C)C2)nc1 ZINC000947948639 611752615 /nfs/dbraw/zinc/75/26/15/611752615.db2.gz OQMSLEREMDNYTL-UKRRQHHQSA-N 1 2 338.415 0.974 20 30 ECEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933968828 611762523 /nfs/dbraw/zinc/76/25/23/611762523.db2.gz PWSJIDHJFKSVLZ-DLBZAZTESA-N 1 2 340.379 0.776 20 30 ECEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933968828 611762526 /nfs/dbraw/zinc/76/25/26/611762526.db2.gz PWSJIDHJFKSVLZ-DLBZAZTESA-N 1 2 340.379 0.776 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CCn1cc[nH+]c1 ZINC000950235429 611920304 /nfs/dbraw/zinc/92/03/04/611920304.db2.gz RDGMFNYCRVHFHO-OAGGEKHMSA-N 1 2 346.431 0.972 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000949283921 611927846 /nfs/dbraw/zinc/92/78/46/611927846.db2.gz UJPHRDIRJWULBB-LBPRGKRZSA-N 1 2 326.360 0.491 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC000950319747 611969363 /nfs/dbraw/zinc/96/93/63/611969363.db2.gz LGJOELHYGHYHFP-LBPRGKRZSA-N 1 2 326.360 0.573 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)Cc3ccc(=O)[nH]c3)CC2)C1 ZINC000949415014 611971172 /nfs/dbraw/zinc/97/11/72/611971172.db2.gz LOFFGIDPIYAPNF-UHFFFAOYSA-N 1 2 329.400 0.656 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)Cc3ccc(=O)[nH]c3)CC2)C1 ZINC000949415014 611971173 /nfs/dbraw/zinc/97/11/73/611971173.db2.gz LOFFGIDPIYAPNF-UHFFFAOYSA-N 1 2 329.400 0.656 20 30 ECEDLO CC(C)(C(=O)N1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1)c1c[nH+]c[nH]1 ZINC000949453114 611986664 /nfs/dbraw/zinc/98/66/64/611986664.db2.gz YLDJEOVTWILMCT-GFCCVEGCSA-N 1 2 340.387 0.918 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000949498268 612008119 /nfs/dbraw/zinc/00/81/19/612008119.db2.gz RHXWLTQCZWVRFN-NHYWBVRUSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000949498268 612008121 /nfs/dbraw/zinc/00/81/21/612008121.db2.gz RHXWLTQCZWVRFN-NHYWBVRUSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000949498266 612008174 /nfs/dbraw/zinc/00/81/74/612008174.db2.gz RHXWLTQCZWVRFN-IAQYHMDHSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000949498266 612008175 /nfs/dbraw/zinc/00/81/75/612008175.db2.gz RHXWLTQCZWVRFN-IAQYHMDHSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1c[nH+]cn1C ZINC000952784988 612100503 /nfs/dbraw/zinc/10/05/03/612100503.db2.gz YKIUXOZOSUDJPF-MELADBBJSA-N 1 2 329.404 0.714 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N[C@H]1CCCN(C(=O)[C@H](C)C#N)C1 ZINC000951869632 612105296 /nfs/dbraw/zinc/10/52/96/612105296.db2.gz GFMOVELIFHOFJK-OCCSQVGLSA-N 1 2 330.388 0.900 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)c1 ZINC000951253003 612107162 /nfs/dbraw/zinc/10/71/62/612107162.db2.gz OXHXBWYBBKUYIW-MRXNPFEDSA-N 1 2 337.383 0.680 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000951941088 612145895 /nfs/dbraw/zinc/14/58/95/612145895.db2.gz FMFBLAISGOJUOS-JSGCOSHPSA-N 1 2 338.371 0.758 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC000952014377 612177092 /nfs/dbraw/zinc/17/70/92/612177092.db2.gz KOXXANZGILVVST-ARFHVFGLSA-N 1 2 349.394 0.920 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC000952014377 612177094 /nfs/dbraw/zinc/17/70/94/612177094.db2.gz KOXXANZGILVVST-ARFHVFGLSA-N 1 2 349.394 0.920 20 30 ECEDLO CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C1CN(C(=O)C#CC2CC2)C1 ZINC000954601580 612435421 /nfs/dbraw/zinc/43/54/21/612435421.db2.gz PYSMLEGRCVZWFL-AWEZNQCLSA-N 1 2 326.400 0.528 20 30 ECEDLO O=C(C#CC1CC1)N1[C@@H]2CC[C@H]1CN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC000952538009 612491865 /nfs/dbraw/zinc/49/18/65/612491865.db2.gz HLNFENVRJGEVCL-CVEARBPZSA-N 1 2 326.400 0.958 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000955364771 612502825 /nfs/dbraw/zinc/50/28/25/612502825.db2.gz TTYGSJQRWAAQIT-HIFRSBDPSA-N 1 2 332.404 0.521 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@](C)(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000956835048 612606724 /nfs/dbraw/zinc/60/67/24/612606724.db2.gz ZJRJEWXMUVBFEQ-KRWDZBQOSA-N 1 2 340.387 0.583 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000955613761 612708351 /nfs/dbraw/zinc/70/83/51/612708351.db2.gz PFCCPEBTPZWLLZ-GXTWGEPZSA-N 1 2 340.387 0.892 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000955633183 612720939 /nfs/dbraw/zinc/72/09/39/612720939.db2.gz SKSKJJRATBFJBG-DGCLKSJQSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)C#CC1CC1 ZINC000955677109 612757307 /nfs/dbraw/zinc/75/73/07/612757307.db2.gz YHKXGTKZKOJDIJ-DZGCQCFKSA-N 1 2 328.416 0.872 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000955729694 612798053 /nfs/dbraw/zinc/79/80/53/612798053.db2.gz QOTHHLVCOPUUDM-QWHCGFSZSA-N 1 2 340.387 0.892 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000954936429 612799310 /nfs/dbraw/zinc/79/93/10/612799310.db2.gz VLGOHZJEJYPXSY-ZBFHGGJFSA-N 1 2 346.431 0.911 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000955072978 612882252 /nfs/dbraw/zinc/88/22/52/612882252.db2.gz ZBAFZAAPJWGNQI-XJKSGUPXSA-N 1 2 348.447 0.459 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000955072978 612882253 /nfs/dbraw/zinc/88/22/53/612882253.db2.gz ZBAFZAAPJWGNQI-XJKSGUPXSA-N 1 2 348.447 0.459 20 30 ECEDLO N#Cc1cc(C(=O)N2CC[C@H]([NH+]3CCN(C(=O)C4CC4)CC3)C2)c[nH]1 ZINC000956572681 612914749 /nfs/dbraw/zinc/91/47/49/612914749.db2.gz BBBXUHYAJRSCTO-INIZCTEOSA-N 1 2 341.415 0.655 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CC(C)(C)O)C2)CC1 ZINC000956606425 612924805 /nfs/dbraw/zinc/92/48/05/612924805.db2.gz RWNBILIEKCRORY-ZIAGYGMSSA-N 1 2 336.436 0.052 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)C3=COCCC3)C2)CC1 ZINC000956606914 612924934 /nfs/dbraw/zinc/92/49/34/612924934.db2.gz VWEWBXIDCYWMQH-ZBFHGGJFSA-N 1 2 346.431 0.585 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1c1cnc(C#N)cn1 ZINC001067549479 731522386 /nfs/dbraw/zinc/52/23/86/731522386.db2.gz IRXYPGSKKAXAQV-RYUDHWBXSA-N 1 2 325.376 0.788 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001069974805 790267309 /nfs/dbraw/zinc/26/73/09/790267309.db2.gz RYQTXWFWARZGTK-OLZOCXBDSA-N 1 2 347.810 0.344 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(Cl)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001069974805 790267313 /nfs/dbraw/zinc/26/73/13/790267313.db2.gz RYQTXWFWARZGTK-OLZOCXBDSA-N 1 2 347.810 0.344 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000969268406 731658211 /nfs/dbraw/zinc/65/82/11/731658211.db2.gz IOJPPHOKALFBLQ-BARDWOONSA-N 1 2 341.415 0.807 20 30 ECEDLO Cn1nncc1C[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000973007437 738537170 /nfs/dbraw/zinc/53/71/70/738537170.db2.gz XPCSMZFBORNFTN-CQSZACIVSA-N 1 2 327.392 0.655 20 30 ECEDLO Cn1nncc1C[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000973007437 738537172 /nfs/dbraw/zinc/53/71/72/738537172.db2.gz XPCSMZFBORNFTN-CQSZACIVSA-N 1 2 327.392 0.655 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(CCC(N)=O)cc3)[C@H]2C1 ZINC001083189851 731851004 /nfs/dbraw/zinc/85/10/04/731851004.db2.gz LFKGFQVVUBXOGU-DLBZAZTESA-N 1 2 341.411 0.263 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(CCC(N)=O)cc3)[C@H]2C1 ZINC001083189851 731851008 /nfs/dbraw/zinc/85/10/08/731851008.db2.gz LFKGFQVVUBXOGU-DLBZAZTESA-N 1 2 341.411 0.263 20 30 ECEDLO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1C[NH+](CC(=O)NC2CCCC2)C1 ZINC000969463857 731910713 /nfs/dbraw/zinc/91/07/13/731910713.db2.gz WKWZNDRUYSOZMJ-LBPRGKRZSA-N 1 2 343.431 0.995 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CC([C@H](C)NC(=O)c3ncccc3O)C2)C1=O ZINC000969542668 731962056 /nfs/dbraw/zinc/96/20/56/731962056.db2.gz HROQLDWVDHTWPW-JSGCOSHPSA-N 1 2 344.415 0.624 20 30 ECEDLO Cc1cc(N(C)C[C@H](O)CN(C)C(=O)Cc2c[nH+]c[nH]2)c(C#N)cn1 ZINC001125315297 732878843 /nfs/dbraw/zinc/87/88/43/732878843.db2.gz OPVMRQZCARVLRA-HNNXBMFYSA-N 1 2 342.403 0.483 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nc(C4CC4)no3)C2)nn1 ZINC000970204365 733197486 /nfs/dbraw/zinc/19/74/86/733197486.db2.gz RZXYZDPCFJAJCF-GFCCVEGCSA-N 1 2 343.391 0.729 20 30 ECEDLO C[C@@H](NC(=O)[C@@H]1CCNC1=O)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000970268709 733282118 /nfs/dbraw/zinc/28/21/18/733282118.db2.gz OEJDLYILCTVVKW-IAQYHMDHSA-N 1 2 344.390 0.770 20 30 ECEDLO C[C@H](NC(=O)c1nnn(C)n1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970289185 733312938 /nfs/dbraw/zinc/31/29/38/733312938.db2.gz CXEUCRBDWUGLHW-NSHDSACASA-N 1 2 325.376 0.332 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]2O)C1 ZINC000970395070 733462316 /nfs/dbraw/zinc/46/23/16/733462316.db2.gz PNCXLZCMVFGKGS-OLZOCXBDSA-N 1 2 346.431 0.732 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H](C)C2C[NH+](Cc3cnc(C)nc3)C2)nn1 ZINC000970544998 733662053 /nfs/dbraw/zinc/66/20/53/733662053.db2.gz USSDFVCSJYRMDK-LBPRGKRZSA-N 1 2 341.419 0.813 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H](C)C2C[NH+](Cc3ccnn3C)C2)nn1 ZINC000970552000 733668333 /nfs/dbraw/zinc/66/83/33/733668333.db2.gz JYDQCUPVMHHQQZ-ZDUSSCGKSA-N 1 2 343.435 0.838 20 30 ECEDLO C[C@@H](CNC(=O)CCc1[nH+]ccn1C)CNc1cnc(C#N)cn1 ZINC001104289800 733951867 /nfs/dbraw/zinc/95/18/67/733951867.db2.gz UZUFYHKVDQRGLJ-GFCCVEGCSA-N 1 2 327.392 0.879 20 30 ECEDLO CC(C)N(CCN(C)c1cncc(C#N)n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125439836 734077501 /nfs/dbraw/zinc/07/75/01/734077501.db2.gz WFQCCJUIYHHRQY-HNNXBMFYSA-N 1 2 346.435 0.352 20 30 ECEDLO CC(C)N(CCN(C)c1cncc(C#N)n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125439836 734077504 /nfs/dbraw/zinc/07/75/04/734077504.db2.gz WFQCCJUIYHHRQY-HNNXBMFYSA-N 1 2 346.435 0.352 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COCCO2)C1 ZINC000971119151 734282222 /nfs/dbraw/zinc/28/22/22/734282222.db2.gz CSBXTAQKAHFFPF-NEPJUHHUSA-N 1 2 333.226 0.843 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COCCO2)C1 ZINC000971119151 734282224 /nfs/dbraw/zinc/28/22/24/734282224.db2.gz CSBXTAQKAHFFPF-NEPJUHHUSA-N 1 2 333.226 0.843 20 30 ECEDLO N#Cc1ccc(N2CCO[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC001104325925 734321452 /nfs/dbraw/zinc/32/14/52/734321452.db2.gz AVQHTLDPEDSGAI-AWEZNQCLSA-N 1 2 326.360 0.240 20 30 ECEDLO Cc1cc(C(=O)NC[C@H]2C[N@H+](CC(=O)NCC#N)CCCO2)c(C)o1 ZINC001149131736 734340248 /nfs/dbraw/zinc/34/02/48/734340248.db2.gz SUZCKWMVAGRDDL-AWEZNQCLSA-N 1 2 348.403 0.357 20 30 ECEDLO Cc1cc(C(=O)NC[C@H]2C[N@@H+](CC(=O)NCC#N)CCCO2)c(C)o1 ZINC001149131736 734340252 /nfs/dbraw/zinc/34/02/52/734340252.db2.gz SUZCKWMVAGRDDL-AWEZNQCLSA-N 1 2 348.403 0.357 20 30 ECEDLO Cc1nc(NCCN(CCO)C(=O)Cc2c[nH+]cn2C)ccc1C#N ZINC001111489113 734403309 /nfs/dbraw/zinc/40/33/09/734403309.db2.gz JLPJLBLDCTYFCT-UHFFFAOYSA-N 1 2 342.403 0.471 20 30 ECEDLO Cc1nsc(N2CCO[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)c1C#N ZINC001104349012 734518326 /nfs/dbraw/zinc/51/83/26/734518326.db2.gz BLUPAIFJRPIBRI-GFCCVEGCSA-N 1 2 346.416 0.610 20 30 ECEDLO C=CCO[C@H](C)C(=O)N(CCO)CCNc1[nH+]cnc2c1cnn2C ZINC001111483750 735070403 /nfs/dbraw/zinc/07/04/03/735070403.db2.gz GQMAOVQIUZOSTH-GFCCVEGCSA-N 1 2 348.407 0.187 20 30 ECEDLO N#Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c[nH]1 ZINC000973190711 738880031 /nfs/dbraw/zinc/88/00/31/738880031.db2.gz MKZVGMLDRDLDGC-HBJVGIJOSA-N 1 2 338.371 0.790 20 30 ECEDLO N#Cc1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c[nH]1 ZINC000973190711 738880038 /nfs/dbraw/zinc/88/00/38/738880038.db2.gz MKZVGMLDRDLDGC-HBJVGIJOSA-N 1 2 338.371 0.790 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn4cc(OC)ccc34)[C@H]2C1 ZINC001083225658 735112773 /nfs/dbraw/zinc/11/27/73/735112773.db2.gz HADDXCKVIYDTBM-DLBZAZTESA-N 1 2 340.383 0.501 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn4cc(OC)ccc34)[C@H]2C1 ZINC001083225658 735112775 /nfs/dbraw/zinc/11/27/75/735112775.db2.gz HADDXCKVIYDTBM-DLBZAZTESA-N 1 2 340.383 0.501 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCc4cn[nH]c43)C2)C1 ZINC000972386871 736056325 /nfs/dbraw/zinc/05/63/25/736056325.db2.gz HTZFAXMFFLPWCK-MAUKXSAKSA-N 1 2 328.416 0.766 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCc4cn[nH]c43)C2)C1 ZINC000972386871 736056331 /nfs/dbraw/zinc/05/63/31/736056331.db2.gz HTZFAXMFFLPWCK-MAUKXSAKSA-N 1 2 328.416 0.766 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3ccnn3C)C2)C1 ZINC000972387737 736059762 /nfs/dbraw/zinc/05/97/62/736059762.db2.gz WPULAUQICYGOKV-QAPCUYQASA-N 1 2 330.432 0.850 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3ccnn3C)C2)C1 ZINC000972387737 736059768 /nfs/dbraw/zinc/05/97/68/736059768.db2.gz WPULAUQICYGOKV-QAPCUYQASA-N 1 2 330.432 0.850 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3[nH]nc4c3CCCC4)C2)C1 ZINC000972387662 736059889 /nfs/dbraw/zinc/05/98/89/736059889.db2.gz VBZQADWUAGHFMU-LJQANCHMSA-N 1 2 342.443 0.768 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3[nH]nc4c3CCCC4)C2)C1 ZINC000972387662 736059895 /nfs/dbraw/zinc/05/98/95/736059895.db2.gz VBZQADWUAGHFMU-LJQANCHMSA-N 1 2 342.443 0.768 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(C)nc3OC)C2)C1 ZINC000972404224 736131928 /nfs/dbraw/zinc/13/19/28/736131928.db2.gz AFVRLSKFPYKGNW-SFHVURJKSA-N 1 2 344.415 0.734 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(C)nc3OC)C2)C1 ZINC000972404224 736131930 /nfs/dbraw/zinc/13/19/30/736131930.db2.gz AFVRLSKFPYKGNW-SFHVURJKSA-N 1 2 344.415 0.734 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(-c4ncon4)cc3)[C@H]2C1 ZINC001083251701 736153582 /nfs/dbraw/zinc/15/35/82/736153582.db2.gz DGRMYSXJTNKPHT-JKSUJKDBSA-N 1 2 338.367 0.895 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-c4ncon4)cc3)[C@H]2C1 ZINC001083251701 736153584 /nfs/dbraw/zinc/15/35/84/736153584.db2.gz DGRMYSXJTNKPHT-JKSUJKDBSA-N 1 2 338.367 0.895 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3nc(OC)cc(OC)n3)C2)C1 ZINC000972434192 736185370 /nfs/dbraw/zinc/18/53/70/736185370.db2.gz FBXYRXCPERAXNW-KRWDZBQOSA-N 1 2 348.403 0.597 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3nc(OC)cc(OC)n3)C2)C1 ZINC000972434192 736185372 /nfs/dbraw/zinc/18/53/72/736185372.db2.gz FBXYRXCPERAXNW-KRWDZBQOSA-N 1 2 348.403 0.597 20 30 ECEDLO C=CCN1CCO[C@@]2(CCN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC000972443633 736212871 /nfs/dbraw/zinc/21/28/71/736212871.db2.gz KQKVMJGMDXYOHL-KRWDZBQOSA-N 1 2 334.420 0.839 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 ZINC000972449753 736228955 /nfs/dbraw/zinc/22/89/55/736228955.db2.gz NVLNDAQJIRMIDQ-SFHVURJKSA-N 1 2 339.399 0.670 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 ZINC000972449753 736228956 /nfs/dbraw/zinc/22/89/56/736228956.db2.gz NVLNDAQJIRMIDQ-SFHVURJKSA-N 1 2 339.399 0.670 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C2)C1 ZINC000972455841 736244220 /nfs/dbraw/zinc/24/42/20/736244220.db2.gz LACNBWXABIDAER-RHSMWYFYSA-N 1 2 336.436 0.266 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C2)C1 ZINC000972455841 736244223 /nfs/dbraw/zinc/24/42/23/736244223.db2.gz LACNBWXABIDAER-RHSMWYFYSA-N 1 2 336.436 0.266 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3ncc4cccnc43)C2)C1 ZINC000972471084 736280127 /nfs/dbraw/zinc/28/01/27/736280127.db2.gz HRMYBXUFFUZHSV-GOSISDBHSA-N 1 2 341.415 0.921 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3ncc4cccnc43)C2)C1 ZINC000972471084 736280128 /nfs/dbraw/zinc/28/01/28/736280128.db2.gz HRMYBXUFFUZHSV-GOSISDBHSA-N 1 2 341.415 0.921 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]([N@H+](C)Cc3ncc(C)cn3)C2)nn1 ZINC000972500421 736423334 /nfs/dbraw/zinc/42/33/34/736423334.db2.gz JNOIBFHAFWAPFZ-AWEZNQCLSA-N 1 2 341.419 0.909 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ncc(C)cn3)C2)nn1 ZINC000972500421 736423336 /nfs/dbraw/zinc/42/33/36/736423336.db2.gz JNOIBFHAFWAPFZ-AWEZNQCLSA-N 1 2 341.419 0.909 20 30 ECEDLO C[NH+](C)[C@H](C(=O)N1CCC(N(CC#N)CCO)CC1)c1cccnc1 ZINC001098575453 736502588 /nfs/dbraw/zinc/50/25/88/736502588.db2.gz PDNKBPNRMFQXFK-KRWDZBQOSA-N 1 2 345.447 0.493 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCc4nn[nH]c43)C2)C1 ZINC000972523406 736565693 /nfs/dbraw/zinc/56/56/93/736565693.db2.gz IWLYTQBDRPRIHH-SUMWQHHRSA-N 1 2 329.404 0.161 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCc4nn[nH]c43)C2)C1 ZINC000972523406 736565694 /nfs/dbraw/zinc/56/56/94/736565694.db2.gz IWLYTQBDRPRIHH-SUMWQHHRSA-N 1 2 329.404 0.161 20 30 ECEDLO C[C@H](c1nnnn1C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001023318745 736678695 /nfs/dbraw/zinc/67/86/95/736678695.db2.gz MAUFPDNZHFPXBV-NEPJUHHUSA-N 1 2 342.407 0.613 20 30 ECEDLO C[C@H](c1nnnn1C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001023318745 736678697 /nfs/dbraw/zinc/67/86/97/736678697.db2.gz MAUFPDNZHFPXBV-NEPJUHHUSA-N 1 2 342.407 0.613 20 30 ECEDLO C#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC000972556397 736751221 /nfs/dbraw/zinc/75/12/21/736751221.db2.gz GEBMRLKQINAAGE-IIDMSEBBSA-N 1 2 328.416 0.460 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nnnn4CC3)C2)C1 ZINC000972563477 736802109 /nfs/dbraw/zinc/80/21/09/736802109.db2.gz WGTMLGSXRTWGSU-YOEHRIQHSA-N 1 2 346.435 0.115 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nnnn4CC3)C2)C1 ZINC000972563477 736802115 /nfs/dbraw/zinc/80/21/15/736802115.db2.gz WGTMLGSXRTWGSU-YOEHRIQHSA-N 1 2 346.435 0.115 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)C1 ZINC000972573092 736889969 /nfs/dbraw/zinc/88/99/69/736889969.db2.gz TVFPRBVMLYZVLK-LZLYRXPVSA-N 1 2 328.416 0.460 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)C1 ZINC000972573092 736889974 /nfs/dbraw/zinc/88/99/74/736889974.db2.gz TVFPRBVMLYZVLK-LZLYRXPVSA-N 1 2 328.416 0.460 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(COC)on3)C2)C1 ZINC000972584689 736961525 /nfs/dbraw/zinc/96/15/25/736961525.db2.gz AMDUREIXWZOFSX-KRWDZBQOSA-N 1 2 333.388 0.761 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(COC)on3)C2)C1 ZINC000972584689 736961530 /nfs/dbraw/zinc/96/15/30/736961530.db2.gz AMDUREIXWZOFSX-KRWDZBQOSA-N 1 2 333.388 0.761 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)Cc3cnn(C)c3)C2)C1 ZINC000972617559 737108599 /nfs/dbraw/zinc/10/85/99/737108599.db2.gz QIQBMFWBPSZOHA-MAUKXSAKSA-N 1 2 330.432 0.535 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)Cc3cnn(C)c3)C2)C1 ZINC000972617559 737108603 /nfs/dbraw/zinc/10/86/03/737108603.db2.gz QIQBMFWBPSZOHA-MAUKXSAKSA-N 1 2 330.432 0.535 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C(N)=O)C2)C1 ZINC000972634768 737181827 /nfs/dbraw/zinc/18/18/27/737181827.db2.gz MUYBIFDMDPYFDJ-YOEHRIQHSA-N 1 2 336.436 0.409 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C(N)=O)C2)C1 ZINC000972634768 737181828 /nfs/dbraw/zinc/18/18/28/737181828.db2.gz MUYBIFDMDPYFDJ-YOEHRIQHSA-N 1 2 336.436 0.409 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cncc(C(N)=O)c3)C2)C1 ZINC000972675995 737350042 /nfs/dbraw/zinc/35/00/42/737350042.db2.gz GRRQUJUSEOMYEX-KRWDZBQOSA-N 1 2 330.388 0.283 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cncc(C(N)=O)c3)C2)C1 ZINC000972675995 737350046 /nfs/dbraw/zinc/35/00/46/737350046.db2.gz GRRQUJUSEOMYEX-KRWDZBQOSA-N 1 2 330.388 0.283 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C2)C1 ZINC000972678979 737360077 /nfs/dbraw/zinc/36/00/77/737360077.db2.gz YLZFIJRPZMKYEM-GOSISDBHSA-N 1 2 346.431 0.831 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C2)C1 ZINC000972678979 737360081 /nfs/dbraw/zinc/36/00/81/737360081.db2.gz YLZFIJRPZMKYEM-GOSISDBHSA-N 1 2 346.431 0.831 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3nc(C4CC4)nn3C)C2)C1 ZINC000972684745 737374788 /nfs/dbraw/zinc/37/47/88/737374788.db2.gz WUWUCRCQTPTWHG-SFHVURJKSA-N 1 2 345.447 0.724 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3nc(C4CC4)nn3C)C2)C1 ZINC000972684745 737374791 /nfs/dbraw/zinc/37/47/91/737374791.db2.gz WUWUCRCQTPTWHG-SFHVURJKSA-N 1 2 345.447 0.724 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCn3cc(Cl)cn3)C2)C1 ZINC000972685333 737376675 /nfs/dbraw/zinc/37/66/75/737376675.db2.gz NTCMWTGJFYAIOW-INIZCTEOSA-N 1 2 336.823 0.863 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCn3cc(Cl)cn3)C2)C1 ZINC000972685333 737376678 /nfs/dbraw/zinc/37/66/78/737376678.db2.gz NTCMWTGJFYAIOW-INIZCTEOSA-N 1 2 336.823 0.863 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)nn(C)c2C)[C@@H](n2ccnn2)C1 ZINC001069992628 790286644 /nfs/dbraw/zinc/28/66/44/790286644.db2.gz LWXRWOWRKIXESP-CABCVRRESA-N 1 2 341.419 0.307 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c(C)nn(C)c2C)[C@@H](n2ccnn2)C1 ZINC001069992628 790286648 /nfs/dbraw/zinc/28/66/48/790286648.db2.gz LWXRWOWRKIXESP-CABCVRRESA-N 1 2 341.419 0.307 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(CCC)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069993787 790288654 /nfs/dbraw/zinc/28/86/54/790288654.db2.gz OMEMUSZPKZNSQA-CABCVRRESA-N 1 2 327.392 0.242 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(CCC)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069993787 790288659 /nfs/dbraw/zinc/28/86/59/790288659.db2.gz OMEMUSZPKZNSQA-CABCVRRESA-N 1 2 327.392 0.242 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(OC)ccn2)[C@@H](n2ccnn2)C1 ZINC001069995326 790290758 /nfs/dbraw/zinc/29/07/58/790290758.db2.gz JDTQSHLATFJAAQ-CVEARBPZSA-N 1 2 340.387 0.360 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(OC)ccn2)[C@@H](n2ccnn2)C1 ZINC001069995326 790290761 /nfs/dbraw/zinc/29/07/61/790290761.db2.gz JDTQSHLATFJAAQ-CVEARBPZSA-N 1 2 340.387 0.360 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(C)(F)F)C2)nn1 ZINC001098592340 738385951 /nfs/dbraw/zinc/38/59/51/738385951.db2.gz UWLYHUDRZUFCMO-CYBMUJFWSA-N 1 2 341.362 0.446 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC000973319073 739092088 /nfs/dbraw/zinc/09/20/88/739092088.db2.gz YLJOVTHQLBVXRI-HAQNSBGRSA-N 1 2 343.391 0.197 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)[C@H](C)CNc1[nH+]cnc2c1cnn2C ZINC001104683401 739479759 /nfs/dbraw/zinc/47/97/59/739479759.db2.gz JBXHDCHSIYTWAE-VXGBXAGGSA-N 1 2 330.392 0.660 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]2O)C1 ZINC001025541022 739702077 /nfs/dbraw/zinc/70/20/77/739702077.db2.gz HQXMAMHVQVVFIB-ZIAGYGMSSA-N 1 2 346.431 0.397 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C3=COCCO3)[C@@H](O)C2)s1 ZINC001083322553 751510369 /nfs/dbraw/zinc/51/03/69/751510369.db2.gz NKNZYYIIHVRHLL-OLZOCXBDSA-N 1 2 335.385 0.169 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C3=COCCO3)[C@@H](O)C2)s1 ZINC001083322553 751510372 /nfs/dbraw/zinc/51/03/72/751510372.db2.gz NKNZYYIIHVRHLL-OLZOCXBDSA-N 1 2 335.385 0.169 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2cc(F)ccc2F)[C@@H](n2ccnn2)C1 ZINC001070009004 790313371 /nfs/dbraw/zinc/31/33/71/790313371.db2.gz DYNYGZGZCWAQRJ-CVEARBPZSA-N 1 2 345.353 0.774 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2cc(F)ccc2F)[C@@H](n2ccnn2)C1 ZINC001070009004 790313378 /nfs/dbraw/zinc/31/33/78/790313378.db2.gz DYNYGZGZCWAQRJ-CVEARBPZSA-N 1 2 345.353 0.774 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C2CCC(OC)CC2)[C@@H](n2ccnn2)C1 ZINC001070010463 790315695 /nfs/dbraw/zinc/31/56/95/790315695.db2.gz WDECQVVTFYRNFK-BACDZXNISA-N 1 2 345.447 0.848 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C2CCC(OC)CC2)[C@@H](n2ccnn2)C1 ZINC001070010463 790315702 /nfs/dbraw/zinc/31/57/02/790315702.db2.gz WDECQVVTFYRNFK-BACDZXNISA-N 1 2 345.447 0.848 20 30 ECEDLO CC#CC[N@@H+]1CCCC2(CN(C(=O)C3CCS(=O)(=O)CC3)C2)C1 ZINC000982046170 751530256 /nfs/dbraw/zinc/53/02/56/751530256.db2.gz GUZLGFBSQIISRW-UHFFFAOYSA-N 1 2 338.473 0.759 20 30 ECEDLO CC#CC[N@H+]1CCCC2(CN(C(=O)C3CCS(=O)(=O)CC3)C2)C1 ZINC000982046170 751530260 /nfs/dbraw/zinc/53/02/60/751530260.db2.gz GUZLGFBSQIISRW-UHFFFAOYSA-N 1 2 338.473 0.759 20 30 ECEDLO CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@@]3(C)CCCS3(=O)=O)C2)C1 ZINC000982067957 751547531 /nfs/dbraw/zinc/54/75/31/751547531.db2.gz VFLXMKXZGRFQHO-MRXNPFEDSA-N 1 2 338.473 0.901 20 30 ECEDLO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@]3(C)CCCS3(=O)=O)C2)C1 ZINC000982067957 751547533 /nfs/dbraw/zinc/54/75/33/751547533.db2.gz VFLXMKXZGRFQHO-MRXNPFEDSA-N 1 2 338.473 0.901 20 30 ECEDLO CC#CC[N@@H+]1CCCC2(CN(C(=O)C3(S(C)(=O)=O)CCC3)C2)C1 ZINC000982096626 751583786 /nfs/dbraw/zinc/58/37/86/751583786.db2.gz LZDBMTRMLLFANO-UHFFFAOYSA-N 1 2 338.473 0.901 20 30 ECEDLO CC#CC[N@H+]1CCCC2(CN(C(=O)C3(S(C)(=O)=O)CCC3)C2)C1 ZINC000982096626 751583790 /nfs/dbraw/zinc/58/37/90/751583790.db2.gz LZDBMTRMLLFANO-UHFFFAOYSA-N 1 2 338.473 0.901 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)CCC)C2)nn1 ZINC001105136936 741409001 /nfs/dbraw/zinc/40/90/01/741409001.db2.gz MYCPFXLXIZTXJE-GFCCVEGCSA-N 1 2 334.424 0.242 20 30 ECEDLO CCC[C@H](C)C(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105197388 741459248 /nfs/dbraw/zinc/45/92/48/741459248.db2.gz RKDMMTCRRVDSKA-AWEZNQCLSA-N 1 2 333.436 0.837 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3nccc(C)n3)C2)nn1 ZINC001105223675 741500908 /nfs/dbraw/zinc/50/09/08/741500908.db2.gz DADMGZBTXMXFGX-UHFFFAOYSA-N 1 2 325.376 0.187 20 30 ECEDLO C#CCOCCC(=O)N1CC(n2cc(C[NH2+]C/C=C/Cl)nn2)C1 ZINC001105240490 741531454 /nfs/dbraw/zinc/53/14/54/741531454.db2.gz PEMAPNYDOQSTQS-HWKANZROSA-N 1 2 337.811 0.543 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](OCC)C(C)C)C2)nn1 ZINC001105240703 741535352 /nfs/dbraw/zinc/53/53/52/741535352.db2.gz YPWMAIKKABZSCQ-INIZCTEOSA-N 1 2 333.436 0.835 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccnn3C3CCC3)C2)nn1 ZINC001105242919 741543220 /nfs/dbraw/zinc/54/32/20/741543220.db2.gz NRCZQCYVBDXAIB-UHFFFAOYSA-N 1 2 339.403 0.620 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H](OCC)C(=C)C)C2)nn1 ZINC001105254091 741565013 /nfs/dbraw/zinc/56/50/13/741565013.db2.gz NDLLLYVGGQRBHF-MRXNPFEDSA-N 1 2 331.420 0.756 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc4n3CCC4)C2)nn1 ZINC001105262148 741588057 /nfs/dbraw/zinc/58/80/57/741588057.db2.gz JMAHEDFXQLLYOL-UHFFFAOYSA-N 1 2 339.403 0.231 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)COCC3CCCC3)C2)nn1 ZINC001105262230 741588533 /nfs/dbraw/zinc/58/85/33/741588533.db2.gz PLXWYVUUVMIAEH-UHFFFAOYSA-N 1 2 345.447 0.981 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(C(C)C)cn3)C2)nn1 ZINC001105292449 741656918 /nfs/dbraw/zinc/65/69/18/741656918.db2.gz PGMFEIDGIOUMLU-UHFFFAOYSA-N 1 2 327.392 0.475 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(n2cc(C[NH2+]CC(=O)N3CCC3)nn2)C1 ZINC001105297711 741675531 /nfs/dbraw/zinc/67/55/31/741675531.db2.gz UAHRVPGOJJDZKY-UHFFFAOYSA-N 1 2 346.435 0.196 20 30 ECEDLO C=CCCC1(C(=O)N(CCO)CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001058727946 741684762 /nfs/dbraw/zinc/68/47/62/741684762.db2.gz GBKZAJPIMUKRPU-UHFFFAOYSA-N 1 2 348.447 0.957 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001105309747 741718458 /nfs/dbraw/zinc/71/84/58/741718458.db2.gz AZXAELMBWQIDEB-NEPJUHHUSA-N 1 2 334.424 0.227 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CC(n2cc(C[NH2+]CC(=O)N(C)C)nn2)C1 ZINC001105310084 741719178 /nfs/dbraw/zinc/71/91/78/741719178.db2.gz OGCLULUFOMPIEU-CYBMUJFWSA-N 1 2 348.451 0.442 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ncccc3F)C2)nn1 ZINC001105312301 741724674 /nfs/dbraw/zinc/72/46/74/741724674.db2.gz JPIVHKJDUQGDQP-UHFFFAOYSA-N 1 2 342.378 0.551 20 30 ECEDLO C#CCC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C(C)C)[nH]n3)C2)nn1 ZINC001105332816 741988545 /nfs/dbraw/zinc/98/85/45/741988545.db2.gz AIEMVTWBVJWLEQ-UHFFFAOYSA-N 1 2 341.419 0.935 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc4c(c3)CCO4)C2)nn1 ZINC001105334193 741994174 /nfs/dbraw/zinc/99/41/74/741994174.db2.gz YWOZQZKCZNGDHS-UHFFFAOYSA-N 1 2 337.383 0.633 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C(C)(C)C1 ZINC000974752070 742146911 /nfs/dbraw/zinc/14/69/11/742146911.db2.gz KLFFKPWSXXLDED-CYBMUJFWSA-N 1 2 326.462 0.824 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C(C)(C)C1 ZINC000974752070 742146915 /nfs/dbraw/zinc/14/69/15/742146915.db2.gz KLFFKPWSXXLDED-CYBMUJFWSA-N 1 2 326.462 0.824 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cncs3)C2)nn1 ZINC001098623002 742197271 /nfs/dbraw/zinc/19/72/71/742197271.db2.gz VBOGYMUSFNULBA-CYBMUJFWSA-N 1 2 330.417 0.935 20 30 ECEDLO N#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2c[nH]c[nH+]2)C3)[nH]1 ZINC001006719111 751722999 /nfs/dbraw/zinc/72/29/99/751722999.db2.gz CTFFQJXJOAFOLI-YUELXQCFSA-N 1 2 338.371 0.714 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]([C@@H](C)c3nnnn3C)C2)nc1 ZINC001028936271 742922686 /nfs/dbraw/zinc/92/26/86/742922686.db2.gz STHATQPSPPQNFA-JSGCOSHPSA-N 1 2 339.403 0.399 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@@H](C)c3nnnn3C)C2)nc1 ZINC001028936271 742922690 /nfs/dbraw/zinc/92/26/90/742922690.db2.gz STHATQPSPPQNFA-JSGCOSHPSA-N 1 2 339.403 0.399 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)CCc3[nH+]ccn3C)[C@H]2C1 ZINC000975976043 743425212 /nfs/dbraw/zinc/42/52/12/743425212.db2.gz WSUXENHTTVCDAU-KKUMJFAQSA-N 1 2 343.431 0.962 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3csc(COC)n3)C2)nn1 ZINC001105381242 743450972 /nfs/dbraw/zinc/45/09/72/743450972.db2.gz URYJYHKAKUFSPR-UHFFFAOYSA-N 1 2 346.416 0.301 20 30 ECEDLO C#CCCCC(=O)NCC[NH2+]Cc1nnc([C@]2(OC)CCOC2)o1 ZINC001126338746 751845215 /nfs/dbraw/zinc/84/52/15/751845215.db2.gz HTDQICLJVHAGLI-INIZCTEOSA-N 1 2 336.392 0.341 20 30 ECEDLO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CC[NH+](Cc2nnnn2C)CC1 ZINC000997534048 743664324 /nfs/dbraw/zinc/66/43/24/743664324.db2.gz PEMFFASWYYVXGN-NSHDSACASA-N 1 2 342.407 0.440 20 30 ECEDLO Cn1cc(C[N@H+](C)[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001027374300 744028033 /nfs/dbraw/zinc/02/80/33/744028033.db2.gz BUTLREZJSKILAB-HNNXBMFYSA-N 1 2 327.392 0.751 20 30 ECEDLO Cn1cc(C[N@@H+](C)[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001027374300 744028035 /nfs/dbraw/zinc/02/80/35/744028035.db2.gz BUTLREZJSKILAB-HNNXBMFYSA-N 1 2 327.392 0.751 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H](C)C2CN(C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC001006836103 751888918 /nfs/dbraw/zinc/88/89/18/751888918.db2.gz RJWSGWZXPCHXJV-LBPRGKRZSA-N 1 2 337.383 0.605 20 30 ECEDLO C=C1CC(C)(C(=O)N(CCO)CCNC(=O)CCCn2cc[nH+]c2)C1 ZINC001058773637 744188959 /nfs/dbraw/zinc/18/89/59/744188959.db2.gz QZXCWFASLSCOON-UHFFFAOYSA-N 1 2 348.447 0.957 20 30 ECEDLO COCc1noc(C[NH2+][C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000998962773 744433430 /nfs/dbraw/zinc/43/34/30/744433430.db2.gz VDQFOJIXMLYBGJ-LBPRGKRZSA-N 1 2 344.375 0.810 20 30 ECEDLO C#Cc1cncc(C(=O)NC2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)c1 ZINC000999312508 744618948 /nfs/dbraw/zinc/61/89/48/744618948.db2.gz XMWROGLOTNHNMU-UHFFFAOYSA-N 1 2 337.383 0.704 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)cn1 ZINC000999353404 744646514 /nfs/dbraw/zinc/64/65/14/744646514.db2.gz DVCUOCCCSZHMLF-HNNXBMFYSA-N 1 2 349.394 0.847 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(C)nc3Cl)C2)nn1 ZINC001105360536 751969392 /nfs/dbraw/zinc/96/93/92/751969392.db2.gz AGFAGTOSDOZYQQ-UHFFFAOYSA-N 1 2 347.810 0.475 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nc1 ZINC001000011164 745179406 /nfs/dbraw/zinc/17/94/06/745179406.db2.gz ZYNNPVXNCIWEBP-HUUCEWRRSA-N 1 2 349.394 0.541 20 30 ECEDLO COc1cc(C[N@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)ccn1 ZINC001083414391 745542689 /nfs/dbraw/zinc/54/26/89/745542689.db2.gz AODXJCUGTXOIRY-CABCVRRESA-N 1 2 341.371 0.265 20 30 ECEDLO COc1cc(C[N@@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)ccn1 ZINC001083414391 745542694 /nfs/dbraw/zinc/54/26/94/745542694.db2.gz AODXJCUGTXOIRY-CABCVRRESA-N 1 2 341.371 0.265 20 30 ECEDLO CC[C@H](F)C(=O)N1CC[C@H](n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001098700339 745571440 /nfs/dbraw/zinc/57/14/40/745571440.db2.gz JOAYIRBPGPQERL-GJZGRUSLSA-N 1 2 337.399 0.539 20 30 ECEDLO CCc1nnc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)o1 ZINC000977976444 745736259 /nfs/dbraw/zinc/73/62/59/745736259.db2.gz LQRAMDVGDAXAJG-XYYAHUGASA-N 1 2 340.387 0.940 20 30 ECEDLO CCc1nnc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)o1 ZINC000977976444 745736263 /nfs/dbraw/zinc/73/62/63/745736263.db2.gz LQRAMDVGDAXAJG-XYYAHUGASA-N 1 2 340.387 0.940 20 30 ECEDLO Cn1ncc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)n1 ZINC000978017543 745802780 /nfs/dbraw/zinc/80/27/80/745802780.db2.gz DPWSOOMTJPTISW-ZSOGYDGISA-N 1 2 325.376 0.123 20 30 ECEDLO Cn1ncc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)n1 ZINC000978017543 745802787 /nfs/dbraw/zinc/80/27/87/745802787.db2.gz DPWSOOMTJPTISW-ZSOGYDGISA-N 1 2 325.376 0.123 20 30 ECEDLO CCn1ncc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)n1 ZINC000978029525 745830476 /nfs/dbraw/zinc/83/04/76/745830476.db2.gz OGUKPIHYKMPTIQ-PHZGNYQRSA-N 1 2 339.403 0.606 20 30 ECEDLO CCn1ncc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)n1 ZINC000978029525 745830478 /nfs/dbraw/zinc/83/04/78/745830478.db2.gz OGUKPIHYKMPTIQ-PHZGNYQRSA-N 1 2 339.403 0.606 20 30 ECEDLO CCc1nnc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)o1 ZINC000978031508 745832667 /nfs/dbraw/zinc/83/26/67/745832667.db2.gz ZXSQKOGARNZQEI-ZSOGYDGISA-N 1 2 340.387 0.940 20 30 ECEDLO CCc1nnc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)o1 ZINC000978031508 745832674 /nfs/dbraw/zinc/83/26/74/745832674.db2.gz ZXSQKOGARNZQEI-ZSOGYDGISA-N 1 2 340.387 0.940 20 30 ECEDLO C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C3)nc1 ZINC001000886279 745863897 /nfs/dbraw/zinc/86/38/97/745863897.db2.gz HSVCNTOXEISPIO-PVAVHDDUSA-N 1 2 349.394 0.890 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001059335480 745988093 /nfs/dbraw/zinc/98/80/93/745988093.db2.gz VSGPLGZHWZDTSE-OAHLLOKOSA-N 1 2 348.447 0.910 20 30 ECEDLO CN(C(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1)C1CC1 ZINC001007033692 752055682 /nfs/dbraw/zinc/05/56/82/752055682.db2.gz HKLHOIZGJGBANS-CYBMUJFWSA-N 1 2 329.404 0.701 20 30 ECEDLO CN(C(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1)C1CC1 ZINC001007033692 752055690 /nfs/dbraw/zinc/05/56/90/752055690.db2.gz HKLHOIZGJGBANS-CYBMUJFWSA-N 1 2 329.404 0.701 20 30 ECEDLO Cc1nnc(C[NH+]2CCC(CNC(=O)c3c[nH]c(C#N)c3)CC2)[nH]1 ZINC001001331395 746283963 /nfs/dbraw/zinc/28/39/63/746283963.db2.gz UYSZZHAPUJWKDH-UHFFFAOYSA-N 1 2 327.392 0.955 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001001340126 746289964 /nfs/dbraw/zinc/28/99/64/746289964.db2.gz FIYWGRFQFVDHEH-UHFFFAOYSA-N 1 2 340.387 0.441 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001001342609 746292667 /nfs/dbraw/zinc/29/26/67/746292667.db2.gz QLZFLYKXOPWSNK-UHFFFAOYSA-N 1 2 326.360 0.051 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000984351744 746322036 /nfs/dbraw/zinc/32/20/36/746322036.db2.gz MJJAJFBPCSORBQ-HNNXBMFYSA-N 1 2 340.387 0.846 20 30 ECEDLO CC(C)(C(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1)c1c[nH+]c[nH]1 ZINC001001477588 746417478 /nfs/dbraw/zinc/41/74/78/746417478.db2.gz JIAGGGGLQGYQJO-UHFFFAOYSA-N 1 2 340.387 0.775 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3nncn3C)C[C@H]21 ZINC000978715336 746629171 /nfs/dbraw/zinc/62/91/71/746629171.db2.gz HYSHGGFTFJGLDZ-ZSAUSMIDSA-N 1 2 331.420 0.200 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nncn3C)C[C@H]21 ZINC000978715336 746629172 /nfs/dbraw/zinc/62/91/72/746629172.db2.gz HYSHGGFTFJGLDZ-ZSAUSMIDSA-N 1 2 331.420 0.200 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CC[C@H](CCNC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001059424309 746873105 /nfs/dbraw/zinc/87/31/05/746873105.db2.gz WCMXEANZUXEMGO-ZDUSSCGKSA-N 1 2 340.387 0.751 20 30 ECEDLO CN1CCOC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001007154206 752135223 /nfs/dbraw/zinc/13/52/23/752135223.db2.gz DVYHPDUQJVGNEO-ROUUACIJSA-N 1 2 342.443 0.969 20 30 ECEDLO CN1CCOC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001007154206 752135225 /nfs/dbraw/zinc/13/52/25/752135225.db2.gz DVYHPDUQJVGNEO-ROUUACIJSA-N 1 2 342.443 0.969 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cncnc3)C2)C1=O ZINC001007177077 752160771 /nfs/dbraw/zinc/16/07/71/752160771.db2.gz JVTGLEPKJKQVLN-LSDHHAIUSA-N 1 2 329.404 0.458 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cncnc3)C2)C1=O ZINC001007177077 752160780 /nfs/dbraw/zinc/16/07/80/752160780.db2.gz JVTGLEPKJKQVLN-LSDHHAIUSA-N 1 2 329.404 0.458 20 30 ECEDLO C#Cc1ccc(C(=O)NCCC2(C[NH2+]Cc3nnn(C)n3)CC2)cn1 ZINC001167789934 747357783 /nfs/dbraw/zinc/35/77/83/747357783.db2.gz NTDQXTDRZPPGGI-UHFFFAOYSA-N 1 2 339.403 0.276 20 30 ECEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2CCC(=O)N2)CC1 ZINC001002462187 747384255 /nfs/dbraw/zinc/38/42/55/747384255.db2.gz OVVJTHBDYCTZFP-LLVKDONJSA-N 1 2 330.226 0.754 20 30 ECEDLO C=CCn1cccc1C(=O)NCC1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001002615396 747575264 /nfs/dbraw/zinc/57/52/64/747575264.db2.gz FMJIICRVZLGNRP-UHFFFAOYSA-N 1 2 341.415 0.839 20 30 ECEDLO CCn1cc(C[NH+]2CCC(NC(=O)c3c[nH]c(C#N)c3)CC2)nn1 ZINC001002648657 747616083 /nfs/dbraw/zinc/61/60/83/747616083.db2.gz MRHDUQNZVHCALQ-UHFFFAOYSA-N 1 2 327.392 0.892 20 30 ECEDLO CCc1nnc(C[NH2+][C@H](C)[C@H]2CN(C(=O)C#CC3CC3)CCO2)o1 ZINC000979330826 747624399 /nfs/dbraw/zinc/62/43/99/747624399.db2.gz KGWGGVVXLPHDDR-TZMCWYRMSA-N 1 2 332.404 0.751 20 30 ECEDLO COCc1noc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000988500475 752215754 /nfs/dbraw/zinc/21/57/54/752215754.db2.gz KCTRSAINDJWJLG-CMPLNLGQSA-N 1 2 344.375 0.809 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001059554176 748301714 /nfs/dbraw/zinc/30/17/14/748301714.db2.gz CPDCWLYRGKXFMP-PBHICJAKSA-N 1 2 334.420 0.565 20 30 ECEDLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]12 ZINC000979819535 748503355 /nfs/dbraw/zinc/50/33/55/748503355.db2.gz JVAONYSOCLZDIO-VNQPRFMTSA-N 1 2 326.400 0.719 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nc1 ZINC001003469679 748587500 /nfs/dbraw/zinc/58/75/00/748587500.db2.gz KUNSKPKYRMODFH-HUUCEWRRSA-N 1 2 349.394 0.778 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nc1 ZINC001003469679 748587503 /nfs/dbraw/zinc/58/75/03/748587503.db2.gz KUNSKPKYRMODFH-HUUCEWRRSA-N 1 2 349.394 0.778 20 30 ECEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1OC ZINC001211992031 752295294 /nfs/dbraw/zinc/29/52/94/752295294.db2.gz ACVDNHMYIRKNLG-FVQBIDKESA-N 1 2 336.436 0.717 20 30 ECEDLO C=CC[NH2+][C@@H]1CCCCCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001088400569 749039921 /nfs/dbraw/zinc/03/99/21/749039921.db2.gz SNZMWFUACRBCOW-CYBMUJFWSA-N 1 2 344.419 0.618 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC[C@@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001059645949 749092213 /nfs/dbraw/zinc/09/22/13/749092213.db2.gz KFEVVVKNIMHTDY-LSDHHAIUSA-N 1 2 346.431 0.356 20 30 ECEDLO CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)CCc2[nH]cc[nH+]2)n1 ZINC001105804416 761919563 /nfs/dbraw/zinc/91/95/63/761919563.db2.gz QXKOVVZMLYYGRY-LBPRGKRZSA-N 1 2 343.391 0.156 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3conc3C)CC2)CC1 ZINC000985824917 749178308 /nfs/dbraw/zinc/17/83/08/749178308.db2.gz AEFAGDJTSXWVTB-UHFFFAOYSA-N 1 2 347.419 0.664 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3cc(C)n[nH]3)CC2)CC1 ZINC000985823823 749180455 /nfs/dbraw/zinc/18/04/55/749180455.db2.gz ZLBOJEMCCJTNHO-UHFFFAOYSA-N 1 2 346.435 0.400 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3cc(C)[nH]n3)CC2)CC1 ZINC000985823823 749180461 /nfs/dbraw/zinc/18/04/61/749180461.db2.gz ZLBOJEMCCJTNHO-UHFFFAOYSA-N 1 2 346.435 0.400 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001004523699 749595644 /nfs/dbraw/zinc/59/56/44/749595644.db2.gz HRYGTZNMYDUVAT-CABCVRRESA-N 1 2 332.404 0.439 20 30 ECEDLO COCc1noc(C[NH2+][C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@H]2C)n1 ZINC000986188207 749647009 /nfs/dbraw/zinc/64/70/09/749647009.db2.gz UBXYTJOIXWWGOH-JQWIXIFHSA-N 1 2 344.375 0.809 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(C[N@H+](C)Cc2nnnn2C2CC2)CC1 ZINC001029946255 750025071 /nfs/dbraw/zinc/02/50/71/750025071.db2.gz JBWGCGRCWZDKRC-GFCCVEGCSA-N 1 2 331.424 0.838 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(C[N@@H+](C)Cc2nnnn2C2CC2)CC1 ZINC001029946255 750025075 /nfs/dbraw/zinc/02/50/75/750025075.db2.gz JBWGCGRCWZDKRC-GFCCVEGCSA-N 1 2 331.424 0.838 20 30 ECEDLO CN(CCN(C)c1ncc(C#N)cc1F)C(=O)Cc1c[nH+]cn1C ZINC001105432164 750056927 /nfs/dbraw/zinc/05/69/27/750056927.db2.gz GZTIQRDEBNTKOD-UHFFFAOYSA-N 1 2 330.367 0.963 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3ocnc3C)CC2)C1=O ZINC000980909235 750340844 /nfs/dbraw/zinc/34/08/44/750340844.db2.gz MZZINAPBYTVMAP-CQSZACIVSA-N 1 2 332.404 0.918 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3ocnc3C)CC2)C1=O ZINC000980909235 750340855 /nfs/dbraw/zinc/34/08/55/750340855.db2.gz MZZINAPBYTVMAP-CQSZACIVSA-N 1 2 332.404 0.918 20 30 ECEDLO C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001005209876 750377850 /nfs/dbraw/zinc/37/78/50/750377850.db2.gz VPOKJUTUMVVJAI-RISCZKNCSA-N 1 2 340.387 0.819 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCO[C@H](CCC)C3)C2)nn1 ZINC001105350197 750438074 /nfs/dbraw/zinc/43/80/74/750438074.db2.gz XVDYZFPPBCTOSH-WMLDXEAASA-N 1 2 345.447 0.980 20 30 ECEDLO C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC000981396619 750661113 /nfs/dbraw/zinc/66/11/13/750661113.db2.gz XDBFCEDILBHPMR-STQMWFEESA-N 1 2 344.419 0.664 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001005933251 750815751 /nfs/dbraw/zinc/81/57/51/750815751.db2.gz QSFXCEODPWCIJE-LVQVYYBASA-N 1 2 347.459 0.921 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001005933251 750815756 /nfs/dbraw/zinc/81/57/56/750815756.db2.gz QSFXCEODPWCIJE-LVQVYYBASA-N 1 2 347.459 0.921 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001006164636 751084194 /nfs/dbraw/zinc/08/41/94/751084194.db2.gz GRSUKOWXEBSKAD-JDFRZJQESA-N 1 2 346.431 0.897 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@@]3(F)CCOC3)CC2)C1=O ZINC000981821563 751138799 /nfs/dbraw/zinc/13/87/99/751138799.db2.gz NQMARXUVFMXANV-RHSMWYFYSA-N 1 2 339.411 0.436 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@@]3(F)CCOC3)CC2)C1=O ZINC000981821563 751138802 /nfs/dbraw/zinc/13/88/02/751138802.db2.gz NQMARXUVFMXANV-RHSMWYFYSA-N 1 2 339.411 0.436 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001059829749 751153319 /nfs/dbraw/zinc/15/33/19/751153319.db2.gz YQZAGKOFFDSVAN-AWEZNQCLSA-N 1 2 334.420 0.900 20 30 ECEDLO O=C(c1c[nH]c(=O)cn1)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000981837503 751165068 /nfs/dbraw/zinc/16/50/68/751165068.db2.gz DSLGTRJFHHRQPJ-UHFFFAOYSA-N 1 2 336.395 0.970 20 30 ECEDLO O=C(c1c[nH]c(=O)cn1)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000981837503 751165071 /nfs/dbraw/zinc/16/50/71/751165071.db2.gz DSLGTRJFHHRQPJ-UHFFFAOYSA-N 1 2 336.395 0.970 20 30 ECEDLO COCCN(CCNC(=O)C#CC(C)C)c1[nH+]cnc2c1cnn2C ZINC001126324447 751248793 /nfs/dbraw/zinc/24/87/93/751248793.db2.gz BHRSUTCTFINUII-UHFFFAOYSA-N 1 2 344.419 0.592 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(F)F)[C@H](OC)C1 ZINC001211742315 752321565 /nfs/dbraw/zinc/32/15/65/752321565.db2.gz ZUYVLHDEHGDQJY-YNEHKIRRSA-N 1 2 347.406 0.880 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C(F)F)[C@H](OC)C1 ZINC001211742315 752321571 /nfs/dbraw/zinc/32/15/71/752321571.db2.gz ZUYVLHDEHGDQJY-YNEHKIRRSA-N 1 2 347.406 0.880 20 30 ECEDLO COCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2OC)C[C@H]1OC ZINC001211744268 752326128 /nfs/dbraw/zinc/32/61/28/752326128.db2.gz XQRBYAGNGWOCNN-NVXWUHKLSA-N 1 2 347.415 0.919 20 30 ECEDLO COCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2OC)C[C@H]1OC ZINC001211744268 752326138 /nfs/dbraw/zinc/32/61/38/752326138.db2.gz XQRBYAGNGWOCNN-NVXWUHKLSA-N 1 2 347.415 0.919 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1COCCN1C(C)=O ZINC001028327108 752388687 /nfs/dbraw/zinc/38/86/87/752388687.db2.gz SXNIGLPGHFRKRL-KBPBESRZSA-N 1 2 329.828 0.567 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1COCCN1C(C)=O ZINC001028327108 752388696 /nfs/dbraw/zinc/38/86/96/752388696.db2.gz SXNIGLPGHFRKRL-KBPBESRZSA-N 1 2 329.828 0.567 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)C2CC2)C[C@H]1OC ZINC001212033642 752422617 /nfs/dbraw/zinc/42/26/17/752422617.db2.gz KWZHDOCZKBHKTR-HUUCEWRRSA-N 1 2 339.436 0.015 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)C2CC2)C[C@H]1OC ZINC001212033642 752422624 /nfs/dbraw/zinc/42/26/24/752422624.db2.gz KWZHDOCZKBHKTR-HUUCEWRRSA-N 1 2 339.436 0.015 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1OC ZINC001212029892 752428194 /nfs/dbraw/zinc/42/81/94/752428194.db2.gz LBAXGYGLQSZALE-HUUCEWRRSA-N 1 2 339.436 0.017 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1OC ZINC001212029892 752428197 /nfs/dbraw/zinc/42/81/97/752428197.db2.gz LBAXGYGLQSZALE-HUUCEWRRSA-N 1 2 339.436 0.017 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1OC ZINC001212032307 752430434 /nfs/dbraw/zinc/43/04/34/752430434.db2.gz VCKXYFLAILLNIZ-ZIAGYGMSSA-N 1 2 342.827 0.555 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1OC ZINC001212032307 752430440 /nfs/dbraw/zinc/43/04/40/752430440.db2.gz VCKXYFLAILLNIZ-ZIAGYGMSSA-N 1 2 342.827 0.555 20 30 ECEDLO CNC(=O)c1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H](C)C#N)[C@H](OC)C2)c1 ZINC001212045502 752439521 /nfs/dbraw/zinc/43/95/21/752439521.db2.gz PILQESPWUPFPDY-APHBMKBZSA-N 1 2 344.415 0.521 20 30 ECEDLO CNC(=O)c1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H](C)C#N)[C@H](OC)C2)c1 ZINC001212045502 752439524 /nfs/dbraw/zinc/43/95/24/752439524.db2.gz PILQESPWUPFPDY-APHBMKBZSA-N 1 2 344.415 0.521 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn4cc[nH]c34)C2)nn1 ZINC001105367920 752466077 /nfs/dbraw/zinc/46/60/77/752466077.db2.gz IOIFUVMOCYAQGL-UHFFFAOYSA-N 1 2 338.375 0.064 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O)[C@H]1CC1(F)F ZINC001083448699 752615313 /nfs/dbraw/zinc/61/53/13/752615313.db2.gz RYNZXRXJVCPXIK-KFWWJZLASA-N 1 2 338.329 0.994 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O)[C@H]1CC1(F)F ZINC001083448699 752615319 /nfs/dbraw/zinc/61/53/19/752615319.db2.gz RYNZXRXJVCPXIK-KFWWJZLASA-N 1 2 338.329 0.994 20 30 ECEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)CNC(C)=O ZINC001211776862 752697508 /nfs/dbraw/zinc/69/75/08/752697508.db2.gz TYRZKAIHSXTAPP-HZPDHXFCSA-N 1 2 348.378 0.149 20 30 ECEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)CNC(C)=O ZINC001211776862 752697512 /nfs/dbraw/zinc/69/75/12/752697512.db2.gz TYRZKAIHSXTAPP-HZPDHXFCSA-N 1 2 348.378 0.149 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cscc2C)[C@H](OC)C1 ZINC001212081260 752715520 /nfs/dbraw/zinc/71/55/20/752715520.db2.gz JPIPVHCFVCFMAH-BPLDGKMQSA-N 1 2 349.456 0.623 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cscc2C)[C@H](OC)C1 ZINC001212081260 752715530 /nfs/dbraw/zinc/71/55/30/752715530.db2.gz JPIPVHCFVCFMAH-BPLDGKMQSA-N 1 2 349.456 0.623 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@]2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)CCO2 ZINC001007655524 752721343 /nfs/dbraw/zinc/72/13/43/752721343.db2.gz RVCBQXPZQYSEOK-SFHVURJKSA-N 1 2 342.399 0.196 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cccc(F)c2)[C@H](OC)C1 ZINC001211784204 752728132 /nfs/dbraw/zinc/72/81/32/752728132.db2.gz QPAGGXRVTBASAB-DAXOMENPSA-N 1 2 347.390 0.393 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccc(F)c2)[C@H](OC)C1 ZINC001211784204 752728135 /nfs/dbraw/zinc/72/81/35/752728135.db2.gz QPAGGXRVTBASAB-DAXOMENPSA-N 1 2 347.390 0.393 20 30 ECEDLO CC(C)n1nnnc1C[N@@H+]1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028471192 752773366 /nfs/dbraw/zinc/77/33/66/752773366.db2.gz STCCBSKCUNVSCN-LBPRGKRZSA-N 1 2 342.407 0.706 20 30 ECEDLO CC(C)n1nnnc1C[N@H+]1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028471192 752773371 /nfs/dbraw/zinc/77/33/71/752773371.db2.gz STCCBSKCUNVSCN-LBPRGKRZSA-N 1 2 342.407 0.706 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@H+](Cc3nnnn3C3CC3)C2)c1 ZINC001028471474 752774556 /nfs/dbraw/zinc/77/45/56/752774556.db2.gz ZJNLWNGHVIINTB-LLVKDONJSA-N 1 2 340.391 0.460 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@@H+](Cc3nnnn3C3CC3)C2)c1 ZINC001028471474 752774561 /nfs/dbraw/zinc/77/45/61/752774561.db2.gz ZJNLWNGHVIINTB-LLVKDONJSA-N 1 2 340.391 0.460 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccnc(OC)c2)C[C@H]1OC ZINC001212178171 752781676 /nfs/dbraw/zinc/78/16/76/752781676.db2.gz KYUCHOPQHUDURQ-IIDMSEBBSA-N 1 2 349.431 0.733 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ccnc(OC)c2)C[C@H]1OC ZINC001212178171 752781681 /nfs/dbraw/zinc/78/16/81/752781681.db2.gz KYUCHOPQHUDURQ-IIDMSEBBSA-N 1 2 349.431 0.733 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ncnn3CCF)C2)[nH]1 ZINC001028489786 752827543 /nfs/dbraw/zinc/82/75/43/752827543.db2.gz BKCKLIUHEGBBQQ-LBPRGKRZSA-N 1 2 345.382 0.699 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](Cc3ncnn3CCF)C2)[nH]1 ZINC001028489786 752827551 /nfs/dbraw/zinc/82/75/51/752827551.db2.gz BKCKLIUHEGBBQQ-LBPRGKRZSA-N 1 2 345.382 0.699 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001028487097 752832066 /nfs/dbraw/zinc/83/20/66/752832066.db2.gz QAMGPJKJRCSMGU-WDEREUQCSA-N 1 2 328.380 0.223 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@H+]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001028487097 752832070 /nfs/dbraw/zinc/83/20/70/752832070.db2.gz QAMGPJKJRCSMGU-WDEREUQCSA-N 1 2 328.380 0.223 20 30 ECEDLO COCCc1noc(C[NH2+][C@H]2C[C@H](C)N(C(=O)C#CC3CC3)C2)n1 ZINC000988826120 752939235 /nfs/dbraw/zinc/93/92/35/752939235.db2.gz NKAIAFYPNWBTHS-JSGCOSHPSA-N 1 2 332.404 0.751 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2nn(C)cc2Cl)C1 ZINC001051494978 762207564 /nfs/dbraw/zinc/20/75/64/762207564.db2.gz PSPGKPAGKMFJTF-MNOVXSKESA-N 1 2 325.800 0.550 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccsc2)[C@H](OC)C1 ZINC001211822635 753384888 /nfs/dbraw/zinc/38/48/88/753384888.db2.gz JFZXSWIPTRCYEF-MRVWCRGKSA-N 1 2 335.429 0.315 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccsc2)[C@H](OC)C1 ZINC001211822635 753384892 /nfs/dbraw/zinc/38/48/92/753384892.db2.gz JFZXSWIPTRCYEF-MRVWCRGKSA-N 1 2 335.429 0.315 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)COc3ccc(F)cc3)C2)nn1 ZINC001105370945 753392517 /nfs/dbraw/zinc/39/25/17/753392517.db2.gz BNDBIVUQIMMGGV-UHFFFAOYSA-N 1 2 343.362 0.602 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2nc(C(F)F)no2)C1 ZINC001051495936 762210983 /nfs/dbraw/zinc/21/09/83/762210983.db2.gz YZFDFIRHJJWZHZ-IUCAKERBSA-N 1 2 329.307 0.484 20 30 ECEDLO Cn1nnc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC001008215501 753473187 /nfs/dbraw/zinc/47/31/87/753473187.db2.gz RJGVELTZKLRGLT-ZDUSSCGKSA-N 1 2 343.366 0.615 20 30 ECEDLO Cn1nnc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC001008215501 753473193 /nfs/dbraw/zinc/47/31/93/753473193.db2.gz RJGVELTZKLRGLT-ZDUSSCGKSA-N 1 2 343.366 0.615 20 30 ECEDLO Cn1cc(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)cn1 ZINC001083364423 753688140 /nfs/dbraw/zinc/68/81/40/753688140.db2.gz MMLVONXEDDLEJL-CABCVRRESA-N 1 2 345.428 0.257 20 30 ECEDLO Cn1cc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)cn1 ZINC001083364423 753688145 /nfs/dbraw/zinc/68/81/45/753688145.db2.gz MMLVONXEDDLEJL-CABCVRRESA-N 1 2 345.428 0.257 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000982895485 754117990 /nfs/dbraw/zinc/11/79/90/754117990.db2.gz UYUOQTYHSGWBOC-BMFZPTHFSA-N 1 2 346.431 0.898 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000982895485 754117991 /nfs/dbraw/zinc/11/79/91/754117991.db2.gz UYUOQTYHSGWBOC-BMFZPTHFSA-N 1 2 346.431 0.898 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](Nc2cncc(C#N)n2)C1 ZINC001059088277 754596427 /nfs/dbraw/zinc/59/64/27/754596427.db2.gz YGRSXIBXIIGQMF-NEPJUHHUSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](Nc2cncc(C#N)n2)C1 ZINC001059088277 754596431 /nfs/dbraw/zinc/59/64/31/754596431.db2.gz YGRSXIBXIIGQMF-NEPJUHHUSA-N 1 2 325.376 0.963 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001009185992 754627250 /nfs/dbraw/zinc/62/72/50/754627250.db2.gz FFUDQLSBBRTRFC-SECBINFHSA-N 1 2 342.783 0.843 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001009185992 754627255 /nfs/dbraw/zinc/62/72/55/754627255.db2.gz FFUDQLSBBRTRFC-SECBINFHSA-N 1 2 342.783 0.843 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N(C)C3CC3)C2)nc1 ZINC001009255170 754713029 /nfs/dbraw/zinc/71/30/29/754713029.db2.gz USPMSTUPVQPAQS-OAHLLOKOSA-N 1 2 340.427 0.878 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N(C)C3CC3)C2)nc1 ZINC001009255170 754713032 /nfs/dbraw/zinc/71/30/32/754713032.db2.gz USPMSTUPVQPAQS-OAHLLOKOSA-N 1 2 340.427 0.878 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)cn1 ZINC001009268850 754725262 /nfs/dbraw/zinc/72/52/62/754725262.db2.gz LQVATSRIZLDXNZ-KRWDZBQOSA-N 1 2 340.427 0.880 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)cn1 ZINC001009268850 754725263 /nfs/dbraw/zinc/72/52/63/754725263.db2.gz LQVATSRIZLDXNZ-KRWDZBQOSA-N 1 2 340.427 0.880 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3CC3)C2)cn1 ZINC001009278836 754737926 /nfs/dbraw/zinc/73/79/26/754737926.db2.gz WTCMWOJQBBVUIU-GUYCJALGSA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)cn1 ZINC001009278836 754737928 /nfs/dbraw/zinc/73/79/28/754737928.db2.gz WTCMWOJQBBVUIU-GUYCJALGSA-N 1 2 340.427 0.924 20 30 ECEDLO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CS(=O)(=O)C3CCCC3)[C@@H]2C1 ZINC001075956556 755365983 /nfs/dbraw/zinc/36/59/83/755365983.db2.gz MXUILDRZTGSSQD-GOEBONIOSA-N 1 2 338.473 0.900 20 30 ECEDLO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)CS(=O)(=O)C3CCCC3)[C@@H]2C1 ZINC001075956556 755365991 /nfs/dbraw/zinc/36/59/91/755365991.db2.gz MXUILDRZTGSSQD-GOEBONIOSA-N 1 2 338.473 0.900 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](NC(=O)c3cc[nH]c3)[C@@H](O)C2)cc1C#N ZINC001083478821 755611682 /nfs/dbraw/zinc/61/16/82/755611682.db2.gz GSOZNYYPDUDORC-CVEARBPZSA-N 1 2 340.383 0.870 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3cc[nH]c3)[C@@H](O)C2)cc1C#N ZINC001083478821 755611684 /nfs/dbraw/zinc/61/16/84/755611684.db2.gz GSOZNYYPDUDORC-CVEARBPZSA-N 1 2 340.383 0.870 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C=C3CCC3)C2)nn1 ZINC001098655336 755620475 /nfs/dbraw/zinc/62/04/75/755620475.db2.gz GWZKCQJCQKMMPN-KRWDZBQOSA-N 1 2 343.431 0.901 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](O)C1 ZINC000991642364 762412145 /nfs/dbraw/zinc/41/21/45/762412145.db2.gz GFGRCBPERRDUTH-GXTWGEPZSA-N 1 2 334.420 0.551 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CCCC3)C2)c[nH]1 ZINC001010691378 756404000 /nfs/dbraw/zinc/40/40/00/756404000.db2.gz RCWLXGBSDCGEGF-CQSZACIVSA-N 1 2 329.404 0.749 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CCCC3)C2)c[nH]1 ZINC001010691378 756404005 /nfs/dbraw/zinc/40/40/05/756404005.db2.gz RCWLXGBSDCGEGF-CQSZACIVSA-N 1 2 329.404 0.749 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCN(C)S3(=O)=O)[C@@H]2C1 ZINC001076349753 756408325 /nfs/dbraw/zinc/40/83/25/756408325.db2.gz SATPGFGFVAUKDQ-YNEHKIRRSA-N 1 2 347.868 0.306 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCN(C)S3(=O)=O)[C@@H]2C1 ZINC001076349753 756408331 /nfs/dbraw/zinc/40/83/31/756408331.db2.gz SATPGFGFVAUKDQ-YNEHKIRRSA-N 1 2 347.868 0.306 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(OC)no3)C2)C1=O ZINC001010698635 756414415 /nfs/dbraw/zinc/41/44/15/756414415.db2.gz BWQFZXFWZWSKEO-VXGBXAGGSA-N 1 2 334.376 0.274 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cc(OC)no3)C2)C1=O ZINC001010698635 756414420 /nfs/dbraw/zinc/41/44/20/756414420.db2.gz BWQFZXFWZWSKEO-VXGBXAGGSA-N 1 2 334.376 0.274 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ncccc3O)C2)C1=O ZINC001010729420 756452546 /nfs/dbraw/zinc/45/25/46/756452546.db2.gz BCPCBVXESMOPJN-STQMWFEESA-N 1 2 330.388 0.378 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ncccc3O)C2)C1=O ZINC001010729420 756452551 /nfs/dbraw/zinc/45/25/51/756452551.db2.gz BCPCBVXESMOPJN-STQMWFEESA-N 1 2 330.388 0.378 20 30 ECEDLO C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001076431309 756501044 /nfs/dbraw/zinc/50/10/44/756501044.db2.gz CBQKEOADZXINFC-DZGCQCFKSA-N 1 2 328.416 0.870 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)c1 ZINC001010834333 756580667 /nfs/dbraw/zinc/58/06/67/756580667.db2.gz NHCIUPUSTVMKQS-JSGCOSHPSA-N 1 2 332.335 0.496 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)c1 ZINC001010834333 756580670 /nfs/dbraw/zinc/58/06/70/756580670.db2.gz NHCIUPUSTVMKQS-JSGCOSHPSA-N 1 2 332.335 0.496 20 30 ECEDLO C=CCn1cc(C(=O)NCC[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)nn1 ZINC001076575938 756678006 /nfs/dbraw/zinc/67/80/06/756678006.db2.gz OCAIZIJMEUKLTP-NSHDSACASA-N 1 2 331.380 0.055 20 30 ECEDLO N#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)[nH]1 ZINC000990895360 756737826 /nfs/dbraw/zinc/73/78/26/756737826.db2.gz MPUBLXNLUIVDOM-LBPRGKRZSA-N 1 2 338.371 0.670 20 30 ECEDLO N#Cc1cc(C(=O)N2CCN(C(=O)CCn3cc[nH+]c3)CC2)c[nH]1 ZINC001011026675 756788473 /nfs/dbraw/zinc/78/84/73/756788473.db2.gz GZFDCERMODWKON-UHFFFAOYSA-N 1 2 326.360 0.458 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3=COCCO3)C2)cc1F ZINC001076700883 756877389 /nfs/dbraw/zinc/87/73/89/756877389.db2.gz ZUYWIGUTXKWCHJ-HUUCEWRRSA-N 1 2 347.346 0.247 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3=COCCO3)C2)cc1F ZINC001076700883 756877395 /nfs/dbraw/zinc/87/73/95/756877395.db2.gz ZUYWIGUTXKWCHJ-HUUCEWRRSA-N 1 2 347.346 0.247 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@H]3CCCOC3)nn2)C1 ZINC001107142722 757012343 /nfs/dbraw/zinc/01/23/43/757012343.db2.gz NEXXDEKDEQNRME-AWEZNQCLSA-N 1 2 349.435 0.380 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)COC)nn2)C1 ZINC001107146274 757039039 /nfs/dbraw/zinc/03/90/39/757039039.db2.gz CYHYBTCDVXSHTH-CYBMUJFWSA-N 1 2 337.424 0.236 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)/C=C\C3CC3)nn2)C1 ZINC001107153811 757118903 /nfs/dbraw/zinc/11/89/03/757118903.db2.gz OKQMADITTVTWSD-WAYWQWQTSA-N 1 2 331.420 0.920 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCc1cn(C2C[NH+](CCOCC)C2)nn1 ZINC001107164124 757198034 /nfs/dbraw/zinc/19/80/34/757198034.db2.gz RHUQFNYJVYCSSF-INIZCTEOSA-N 1 2 337.424 0.115 20 30 ECEDLO C[C@H]1CC[C@@H](C[NH+]2CC(n3cc(CNC(=O)C#CC4CC4)nn3)C2)O1 ZINC001107169569 757206714 /nfs/dbraw/zinc/20/67/14/757206714.db2.gz ODZYAJVQKMRCEY-GUYCJALGSA-N 1 2 343.431 0.732 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@]3(CC)CCNC3=O)nn2)C1 ZINC001107180102 757297836 /nfs/dbraw/zinc/29/78/36/757297836.db2.gz AJFADRHQOHPUPY-QGZVFWFLSA-N 1 2 346.435 0.243 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C3(COC)CCOCC3)nn2)C1 ZINC001107178454 757334500 /nfs/dbraw/zinc/33/45/00/757334500.db2.gz YITALJCWDXYIMS-UHFFFAOYSA-N 1 2 349.435 0.380 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cccc(=O)[nH]3)C2)s1 ZINC001076842061 757349843 /nfs/dbraw/zinc/34/98/43/757349843.db2.gz AYMCEWPUAQUNIC-ZIAGYGMSSA-N 1 2 344.396 0.695 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cccc(=O)[nH]3)C2)s1 ZINC001076842061 757349855 /nfs/dbraw/zinc/34/98/55/757349855.db2.gz AYMCEWPUAQUNIC-ZIAGYGMSSA-N 1 2 344.396 0.695 20 30 ECEDLO C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001048917043 757405917 /nfs/dbraw/zinc/40/59/17/757405917.db2.gz ZGDNFQQNIHOGGS-BPUTZDHNSA-N 1 2 348.447 0.975 20 30 ECEDLO C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001048917043 757405925 /nfs/dbraw/zinc/40/59/25/757405925.db2.gz ZGDNFQQNIHOGGS-BPUTZDHNSA-N 1 2 348.447 0.975 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[C@H]3CCC(=O)N3C)nn2)C1 ZINC001107190908 757440821 /nfs/dbraw/zinc/44/08/21/757440821.db2.gz HKCKLGXLZHITDP-CQSZACIVSA-N 1 2 346.435 0.338 20 30 ECEDLO O=C(C[C@H]1COC(=O)C1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001076884636 757459754 /nfs/dbraw/zinc/45/97/54/757459754.db2.gz XRMKUHZPCRQLRX-BRWVUGGUSA-N 1 2 342.395 0.153 20 30 ECEDLO O=C(C[C@H]1COC(=O)C1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001076884636 757459758 /nfs/dbraw/zinc/45/97/58/757459758.db2.gz XRMKUHZPCRQLRX-BRWVUGGUSA-N 1 2 342.395 0.153 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H](F)C(C)C)nn2)C1 ZINC001107194349 757494690 /nfs/dbraw/zinc/49/46/90/757494690.db2.gz RKYJLLDKZZMZPM-HNNXBMFYSA-N 1 2 339.415 0.948 20 30 ECEDLO C[C@H](c1cnccn1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076898405 757516597 /nfs/dbraw/zinc/51/65/97/757516597.db2.gz HMKDMMYYCGTQNT-VCTAVGKDSA-N 1 2 326.360 0.212 20 30 ECEDLO C[C@H](c1cnccn1)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076898405 757516603 /nfs/dbraw/zinc/51/66/03/757516603.db2.gz HMKDMMYYCGTQNT-VCTAVGKDSA-N 1 2 326.360 0.212 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](C)c3cncnc3)nn2)C1 ZINC001107200052 757589702 /nfs/dbraw/zinc/58/97/02/757589702.db2.gz VNAZMGJPSTUBBL-GFCCVEGCSA-N 1 2 327.392 0.531 20 30 ECEDLO C=C(C)C[NH2+][C@H]1CN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1(C)C ZINC000996425899 757646469 /nfs/dbraw/zinc/64/64/69/757646469.db2.gz NLAXENJQOZMKKA-ZDUSSCGKSA-N 1 2 344.419 0.474 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3CC(C)(C)C3)C2)C1=O ZINC001076955832 757740201 /nfs/dbraw/zinc/74/02/01/757740201.db2.gz UDRYIWYFRVFRKI-RBSFLKMASA-N 1 2 335.448 0.371 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC(C)(C)C3)C2)C1=O ZINC001076955832 757740206 /nfs/dbraw/zinc/74/02/06/757740206.db2.gz UDRYIWYFRVFRKI-RBSFLKMASA-N 1 2 335.448 0.371 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1O)[C@H]1CC1(F)F ZINC001076969360 757778012 /nfs/dbraw/zinc/77/80/12/757778012.db2.gz RYNZXRXJVCPXIK-RBSFLKMASA-N 1 2 338.329 0.994 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1O)[C@H]1CC1(F)F ZINC001076969360 757778018 /nfs/dbraw/zinc/77/80/18/757778018.db2.gz RYNZXRXJVCPXIK-RBSFLKMASA-N 1 2 338.329 0.994 20 30 ECEDLO N#Cc1cncc(N2CC=C(CNC(=O)CCn3cc[nH+]c3)CC2)n1 ZINC001127736093 757792292 /nfs/dbraw/zinc/79/22/92/757792292.db2.gz KKVKZSJQYOVCBV-UHFFFAOYSA-N 1 2 337.387 0.888 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](CC(=C)C)NC(C)=O)nn2)C1 ZINC001107216121 757798045 /nfs/dbraw/zinc/79/80/45/757798045.db2.gz VHPCQMIOCJEVAR-MRXNPFEDSA-N 1 2 346.435 0.408 20 30 ECEDLO C=CCCCCC[NH+]1CC(n2cc(CNC(=O)c3nnc[nH]3)nn2)C1 ZINC001107218971 757833991 /nfs/dbraw/zinc/83/39/91/757833991.db2.gz KXOMDZYDXARBLL-UHFFFAOYSA-N 1 2 344.423 0.929 20 30 ECEDLO C=CCCCCC[NH+]1CC(n2cc(CNC(=O)c3ncn[nH]3)nn2)C1 ZINC001107218971 757833999 /nfs/dbraw/zinc/83/39/99/757833999.db2.gz KXOMDZYDXARBLL-UHFFFAOYSA-N 1 2 344.423 0.929 20 30 ECEDLO C=CCCCCC[NH+]1CC(n2cc(CNC(=O)c3nc[nH]n3)nn2)C1 ZINC001107218971 757834011 /nfs/dbraw/zinc/83/40/11/757834011.db2.gz KXOMDZYDXARBLL-UHFFFAOYSA-N 1 2 344.423 0.929 20 30 ECEDLO C=CCC[C@H](C)[NH+]1CC(n2cc(CNC(=O)c3nc[nH]n3)nn2)C1 ZINC001107219324 757836484 /nfs/dbraw/zinc/83/64/84/757836484.db2.gz QJQUPIUJMXTZSD-NSHDSACASA-N 1 2 330.396 0.538 20 30 ECEDLO O=C(NCC[NH2+]C[C@@H](O)COCC(F)(F)F)C(F)C(F)(F)F ZINC001127737497 757844883 /nfs/dbraw/zinc/84/48/83/757844883.db2.gz PXVCHCXBEHQYGV-RNFRBKRXSA-N 1 2 344.227 0.532 20 30 ECEDLO O=C(NCC[NH2+]C[C@@H](O)COCC(F)(F)F)[C@@H](F)C(F)(F)F ZINC001127737497 757844885 /nfs/dbraw/zinc/84/48/85/757844885.db2.gz PXVCHCXBEHQYGV-RNFRBKRXSA-N 1 2 344.227 0.532 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@H]3CCO[C@@H]3C)nn2)C1 ZINC001107222828 757891622 /nfs/dbraw/zinc/89/16/22/757891622.db2.gz RLKHFDDCPYZMBJ-CJNGLKHVSA-N 1 2 349.435 0.379 20 30 ECEDLO Cc1nc(N2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@H](O)C2)cc[nH+]1 ZINC001051650713 762588723 /nfs/dbraw/zinc/58/87/23/762588723.db2.gz KRJDHIWAGAHQNA-ZIAGYGMSSA-N 1 2 326.360 0.354 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)CCCOC)nn2)C1 ZINC001107228028 757984052 /nfs/dbraw/zinc/98/40/52/757984052.db2.gz YRYSSAJYXOKDJR-CQSZACIVSA-N 1 2 333.436 0.837 20 30 ECEDLO C=CC(C)(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001049125852 758046684 /nfs/dbraw/zinc/04/66/84/758046684.db2.gz LCSFCQALQGTCLP-GJZGRUSLSA-N 1 2 348.447 0.906 20 30 ECEDLO C=CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001077065900 758078539 /nfs/dbraw/zinc/07/85/39/758078539.db2.gz BDFDGRRTQBONTD-KBPBESRZSA-N 1 2 336.436 0.955 20 30 ECEDLO CCc1nc(C#N)cc(NC/C=C\CNC(=O)Cc2c[nH+]cn2C)n1 ZINC001107262777 758093879 /nfs/dbraw/zinc/09/38/79/758093879.db2.gz HQSQAIBXJYUGOS-PLNGDYQASA-N 1 2 339.403 0.971 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O ZINC001049152953 758144027 /nfs/dbraw/zinc/14/40/27/758144027.db2.gz NXLUIKLLZQLLFE-GJZGRUSLSA-N 1 2 346.431 0.340 20 30 ECEDLO CCc1nc(C#N)cc(NC/C=C\CNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001107311226 758240730 /nfs/dbraw/zinc/24/07/30/758240730.db2.gz BKHIPKLVNLDRHR-ARJAWSKDSA-N 1 2 325.376 0.961 20 30 ECEDLO CC#CCCCC(=O)N(C)[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1O ZINC001049249784 758434970 /nfs/dbraw/zinc/43/49/70/758434970.db2.gz OMPPOTPZPBRMSN-HOTGVXAUSA-N 1 2 346.431 0.497 20 30 ECEDLO CCOCC[NH+]1CC(OC2CCN(C(=O)CSCC#N)CC2)C1 ZINC001105691105 758468850 /nfs/dbraw/zinc/46/88/50/758468850.db2.gz IAUYZVLZGOHBFM-UHFFFAOYSA-N 1 2 341.477 0.971 20 30 ECEDLO N#Cc1nccc(NC/C=C/CNC(=O)c2cccc3[nH+]ccn32)n1 ZINC001107410939 758514839 /nfs/dbraw/zinc/51/48/39/758514839.db2.gz AXTKONWUFSOJIB-OWOJBTEDSA-N 1 2 333.355 0.816 20 30 ECEDLO C=CCCCC(=O)N(C)[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1O ZINC001049360679 758565558 /nfs/dbraw/zinc/56/55/58/758565558.db2.gz HNPFRUNSFHWDBM-GJZGRUSLSA-N 1 2 334.420 0.729 20 30 ECEDLO C=CCCCC(=O)N(C)[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1O ZINC001049360679 758565563 /nfs/dbraw/zinc/56/55/63/758565563.db2.gz HNPFRUNSFHWDBM-GJZGRUSLSA-N 1 2 334.420 0.729 20 30 ECEDLO C[C@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1O ZINC001049401088 758633994 /nfs/dbraw/zinc/63/39/94/758633994.db2.gz BCCKOFVLDPLESV-XBFCOCLRSA-N 1 2 341.371 0.138 20 30 ECEDLO Cn1ncc(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)c2c[nH]c(C#N)c2)n1 ZINC001049426732 758671359 /nfs/dbraw/zinc/67/13/59/758671359.db2.gz YKFISSUNAOHKKI-HOTGVXAUSA-N 1 2 339.403 0.894 20 30 ECEDLO Cn1ncc(C[N@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)c2c[nH]c(C#N)c2)n1 ZINC001049426732 758671360 /nfs/dbraw/zinc/67/13/60/758671360.db2.gz YKFISSUNAOHKKI-HOTGVXAUSA-N 1 2 339.403 0.894 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001022524098 758836690 /nfs/dbraw/zinc/83/66/90/758836690.db2.gz LUFXSPSQLAPUDH-YJNKXOJESA-N 1 2 344.415 0.603 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C34CCC(CC3)C4)[C@@H](O)C2)C1=O ZINC001083574192 758862066 /nfs/dbraw/zinc/86/20/66/758862066.db2.gz LJJYJPFZNXUQST-ZRUZRRJWSA-N 1 2 347.459 0.515 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C34CCC(CC3)C4)[C@@H](O)C2)C1=O ZINC001083574192 758862078 /nfs/dbraw/zinc/86/20/78/758862078.db2.gz LJJYJPFZNXUQST-ZRUZRRJWSA-N 1 2 347.459 0.515 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N1C[C@@H]2CCN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC001022573710 758903609 /nfs/dbraw/zinc/90/36/09/758903609.db2.gz WFSHUNHHXVFMEF-VNHYZAJKSA-N 1 2 342.399 0.852 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)cn1 ZINC001011935754 758997316 /nfs/dbraw/zinc/99/73/16/758997316.db2.gz GTYNVZPKSVFIRY-CZUORRHYSA-N 1 2 337.383 0.679 20 30 ECEDLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O ZINC001049630773 759018790 /nfs/dbraw/zinc/01/87/90/759018790.db2.gz AWEHSROJPJVYRU-KBPBESRZSA-N 1 2 332.404 0.032 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1nc(=O)n(C)[nH]1 ZINC001049634060 759026433 /nfs/dbraw/zinc/02/64/33/759026433.db2.gz CSSSALDBPWIOOW-OLZOCXBDSA-N 1 2 333.436 0.886 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1nc(=O)n(C)[nH]1 ZINC001049634060 759026444 /nfs/dbraw/zinc/02/64/44/759026444.db2.gz CSSSALDBPWIOOW-OLZOCXBDSA-N 1 2 333.436 0.886 20 30 ECEDLO C=CCCOCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001051691286 762700331 /nfs/dbraw/zinc/70/03/31/762700331.db2.gz BUVWKNRARUJPHI-KBPBESRZSA-N 1 2 334.420 0.898 20 30 ECEDLO CN(C(=O)Cn1cc[nH+]c1)[C@H]1CN(Cc2ccccc2C#N)C[C@@H]1O ZINC001047646561 759399316 /nfs/dbraw/zinc/39/93/16/759399316.db2.gz IGSIJQFUCCBQLL-IRXDYDNUSA-N 1 2 339.399 0.458 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001012101159 759411027 /nfs/dbraw/zinc/41/10/27/759411027.db2.gz IYFZGFOSEXWAQL-GXFFZTMASA-N 1 2 326.360 0.571 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C)nn1 ZINC001012106526 759422471 /nfs/dbraw/zinc/42/24/71/759422471.db2.gz VYHKLRVVFQLQFH-AAEUAGOBSA-N 1 2 343.391 0.149 20 30 ECEDLO N#Cc1nccc(N[C@@H]2CCCCCN(C(=O)Cc3c[nH+]c[nH]3)C2)n1 ZINC001049971530 759476778 /nfs/dbraw/zinc/47/67/78/759476778.db2.gz BJPKUCPMRAYORN-CYBMUJFWSA-N 1 2 339.403 0.919 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CCS(=O)(=O)C3)[C@@H]2C1 ZINC001050089713 759684050 /nfs/dbraw/zinc/68/40/50/759684050.db2.gz RNWGDUHGEWZVRU-OWCLPIDISA-N 1 2 338.473 0.757 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CCS(=O)(=O)C3)[C@@H]2C1 ZINC001050089713 759684057 /nfs/dbraw/zinc/68/40/57/759684057.db2.gz RNWGDUHGEWZVRU-OWCLPIDISA-N 1 2 338.473 0.757 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3ccncc3)nn2)C1 ZINC001107114137 760159776 /nfs/dbraw/zinc/15/97/76/760159776.db2.gz GFVWWWYLDJJMMQ-UHFFFAOYSA-N 1 2 342.403 0.662 20 30 ECEDLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000945386036 760181155 /nfs/dbraw/zinc/18/11/55/760181155.db2.gz RFTWTZXUPKGLJK-JSGCOSHPSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001012538339 760227886 /nfs/dbraw/zinc/22/78/86/760227886.db2.gz FHVMJTAIYBOLRD-AAEUAGOBSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001050403578 760233101 /nfs/dbraw/zinc/23/31/01/760233101.db2.gz JTQJXXBQTLPAGV-DGCLKSJQSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001050483296 760337939 /nfs/dbraw/zinc/33/79/39/760337939.db2.gz MPDHATJYEPYHBE-NWDGAFQWSA-N 1 2 340.387 0.819 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3cccn3C)nn2)C1 ZINC001107127285 760509691 /nfs/dbraw/zinc/50/96/91/760509691.db2.gz YGYYGQOOBYNYNZ-UHFFFAOYSA-N 1 2 344.419 0.606 20 30 ECEDLO C[C@@H](NC(=O)CSCC#N)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001050571876 760512631 /nfs/dbraw/zinc/51/26/31/760512631.db2.gz HMWMHHICYVDJHR-CHWSQXEVSA-N 1 2 349.460 0.952 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC000993047343 767957963 /nfs/dbraw/zinc/95/79/63/767957963.db2.gz LKMQJDAZEPVAAK-GDZNZVCISA-N 1 2 329.404 0.809 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC000993047343 767957969 /nfs/dbraw/zinc/95/79/69/767957969.db2.gz LKMQJDAZEPVAAK-GDZNZVCISA-N 1 2 329.404 0.809 20 30 ECEDLO C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@@H]1O ZINC001048540328 760684688 /nfs/dbraw/zinc/68/46/88/760684688.db2.gz TYULUQHBTIDLAY-QEJZJMRPSA-N 1 2 334.420 0.585 20 30 ECEDLO C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001048540328 760684693 /nfs/dbraw/zinc/68/46/93/760684693.db2.gz TYULUQHBTIDLAY-QEJZJMRPSA-N 1 2 334.420 0.585 20 30 ECEDLO COCc1noc(C[NH2+][C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)n1 ZINC001054554658 768040044 /nfs/dbraw/zinc/04/00/44/768040044.db2.gz ZSSNVEKZDIGGBZ-MFKMUULPSA-N 1 2 344.375 0.666 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@@H]2C)nc1 ZINC001013467213 761454023 /nfs/dbraw/zinc/45/40/23/761454023.db2.gz DFIANRVFDDMBTJ-SWLSCSKDSA-N 1 2 337.383 0.748 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C)cn1 ZINC001013470204 761457858 /nfs/dbraw/zinc/45/78/58/761457858.db2.gz OTDHTQLSQOYCLM-CJNGLKHVSA-N 1 2 337.383 0.679 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C[C@H]1C ZINC001013494166 761486887 /nfs/dbraw/zinc/48/68/87/761486887.db2.gz ZLCUHBFNUVRNND-YGRLFVJLSA-N 1 2 340.387 0.880 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@]3(F)CCOC3)[C@@H](O)C2)c1 ZINC001083726489 768054953 /nfs/dbraw/zinc/05/49/53/768054953.db2.gz NJEHSJNHYVDTOO-VYDXJSESSA-N 1 2 333.363 0.348 20 30 ECEDLO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@]3(F)CCOC3)[C@@H](O)C2)c1 ZINC001083726489 768054958 /nfs/dbraw/zinc/05/49/58/768054958.db2.gz NJEHSJNHYVDTOO-VYDXJSESSA-N 1 2 333.363 0.348 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCCN2Cc2c[nH+]cn2C)cn1 ZINC001051215384 761705220 /nfs/dbraw/zinc/70/52/20/761705220.db2.gz WDWPZDJHPRQSPV-QGZVFWFLSA-N 1 2 339.399 0.427 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cccc(C(=O)NC)n1 ZINC001051229190 761724057 /nfs/dbraw/zinc/72/40/57/761724057.db2.gz WBOXINBPLIQFSC-CQSZACIVSA-N 1 2 346.431 0.838 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc(C(=O)NC)n1 ZINC001051229190 761724064 /nfs/dbraw/zinc/72/40/64/761724064.db2.gz WBOXINBPLIQFSC-CQSZACIVSA-N 1 2 346.431 0.838 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001060287144 761790924 /nfs/dbraw/zinc/79/09/24/761790924.db2.gz YLQZRVWSCPFRHE-ZIAGYGMSSA-N 1 2 331.420 0.867 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(C(N)=O)cn1 ZINC001051265312 761791792 /nfs/dbraw/zinc/79/17/92/761791792.db2.gz HSMNXZCQOVCIBW-CQSZACIVSA-N 1 2 332.404 0.577 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(C(N)=O)cn1 ZINC001051265312 761791799 /nfs/dbraw/zinc/79/17/99/761791799.db2.gz HSMNXZCQOVCIBW-CQSZACIVSA-N 1 2 332.404 0.577 20 30 ECEDLO C#CCOCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001051286626 761826462 /nfs/dbraw/zinc/82/64/62/761826462.db2.gz CAUNFWLSXURLOW-CVEARBPZSA-N 1 2 346.431 0.666 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(c2ccncc2C#N)C[C@@H]1O ZINC001051711067 762762370 /nfs/dbraw/zinc/76/23/70/762762370.db2.gz HAELLZDYHVSGSF-CJNGLKHVSA-N 1 2 340.387 0.283 20 30 ECEDLO Cc1cc(N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](O)C2)c(C#N)cn1 ZINC001051717963 762787619 /nfs/dbraw/zinc/78/76/19/762787619.db2.gz LHGYVWMAJSUGOQ-ZFWWWQNUSA-N 1 2 340.387 0.283 20 30 ECEDLO Cc1nc(N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](O)C2)ccc1C#N ZINC001051719128 762790894 /nfs/dbraw/zinc/79/08/94/762790894.db2.gz RUDUKRAASAOFQI-UONOGXRCSA-N 1 2 340.387 0.283 20 30 ECEDLO O=C(Cn1nccn1)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001014567816 762838442 /nfs/dbraw/zinc/83/84/42/762838442.db2.gz VKJZBCGCSAZACB-INIZCTEOSA-N 1 2 327.363 0.659 20 30 ECEDLO O=C(Cn1nccn1)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001014567816 762838449 /nfs/dbraw/zinc/83/84/49/762838449.db2.gz VKJZBCGCSAZACB-INIZCTEOSA-N 1 2 327.363 0.659 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NCC1=CCN(c2cnc(C#N)cn2)CC1 ZINC001127664333 763170850 /nfs/dbraw/zinc/17/08/50/763170850.db2.gz MXOCRJXCJIFEBB-UHFFFAOYSA-N 1 2 337.387 0.577 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2O)C1 ZINC000991758733 763283999 /nfs/dbraw/zinc/28/39/99/763283999.db2.gz CVPYOHNNOXBWFA-UKRRQHHQSA-N 1 2 346.431 0.695 20 30 ECEDLO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001046993547 763529949 /nfs/dbraw/zinc/52/99/49/763529949.db2.gz PQBMKKVDKQJPJF-OLZOCXBDSA-N 1 2 348.415 0.660 20 30 ECEDLO C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001046993547 763529954 /nfs/dbraw/zinc/52/99/54/763529954.db2.gz PQBMKKVDKQJPJF-OLZOCXBDSA-N 1 2 348.415 0.660 20 30 ECEDLO Cc1ccnc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)n1 ZINC001051997321 763546995 /nfs/dbraw/zinc/54/69/95/763546995.db2.gz ADKFCQUVKYCRAZ-GOEBONIOSA-N 1 2 342.447 0.663 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(Cc3ccnn3C)CC2)C1 ZINC001051997645 763548240 /nfs/dbraw/zinc/54/82/40/763548240.db2.gz FEXDOCQTVBTWAL-ZBFHGGJFSA-N 1 2 330.436 0.298 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(Cc3nccn3C)CC2)C1 ZINC001051997786 763548733 /nfs/dbraw/zinc/54/87/33/763548733.db2.gz IGZUXVXLPORWEE-GJZGRUSLSA-N 1 2 330.436 0.298 20 30 ECEDLO Cc1cc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)on1 ZINC001051998602 763551808 /nfs/dbraw/zinc/55/18/08/763551808.db2.gz WEMCCTWZGNDWEL-UKRRQHHQSA-N 1 2 331.420 0.861 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)CC1 ZINC001052021524 763605582 /nfs/dbraw/zinc/60/55/82/763605582.db2.gz DORJKBKQZXNVMX-STQMWFEESA-N 1 2 342.827 0.066 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn(C4CCC4)c3)C2)CC1 ZINC001052027507 763622777 /nfs/dbraw/zinc/62/27/77/763622777.db2.gz GWWHBORZMJJGKP-KRWDZBQOSA-N 1 2 342.447 0.964 20 30 ECEDLO CC(C)Cc1nc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)c[nH]1 ZINC001052028066 763623144 /nfs/dbraw/zinc/62/31/44/763623144.db2.gz NKSBSQZAMHMOAY-OAHLLOKOSA-N 1 2 344.463 0.964 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cn3cccc(C)c3=O)C2)CC1 ZINC001052028500 763623396 /nfs/dbraw/zinc/62/33/96/763623396.db2.gz PVZDCCXVKUDAPN-QGZVFWFLSA-N 1 2 342.443 0.008 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)c3ccnn3C)C2)CC1 ZINC001052030233 763628329 /nfs/dbraw/zinc/62/83/29/763628329.db2.gz KCMOFJLCSDNCPV-IAGOWNOFSA-N 1 2 343.475 0.765 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3ccn(CC)n3)C2)CC1 ZINC001052031339 763632665 /nfs/dbraw/zinc/63/26/65/763632665.db2.gz KDFSGDYVSGBLHL-GOSISDBHSA-N 1 2 343.475 0.687 20 30 ECEDLO CC(C)(C)n1ccc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052035123 763640817 /nfs/dbraw/zinc/64/08/17/763640817.db2.gz AROHWYUVFLXUMW-HNNXBMFYSA-N 1 2 344.463 0.994 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c(F)cncc3F)C2)CC1 ZINC001052036038 763646450 /nfs/dbraw/zinc/64/64/50/763646450.db2.gz XNSFCPIUDBJUIS-CYBMUJFWSA-N 1 2 334.370 0.825 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(F)cncc3F)C2)CC1 ZINC001052036038 763646459 /nfs/dbraw/zinc/64/64/59/763646459.db2.gz XNSFCPIUDBJUIS-CYBMUJFWSA-N 1 2 334.370 0.825 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3snnc3C3CC3)C2)CC1 ZINC001052037942 763656899 /nfs/dbraw/zinc/65/68/99/763656899.db2.gz VJCFFONYFJYQJV-AWEZNQCLSA-N 1 2 345.472 0.881 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cncc(OC)c3C)C2)CC1 ZINC001052042961 763672460 /nfs/dbraw/zinc/67/24/60/763672460.db2.gz LNEBCWXWQVXNRG-MRXNPFEDSA-N 1 2 342.443 0.864 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn(C)nc3COC)C2)CC1 ZINC001052044684 763680180 /nfs/dbraw/zinc/68/01/80/763680180.db2.gz JLIUBDFWAIPBRG-HNNXBMFYSA-N 1 2 347.463 0.585 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001052045781 763684321 /nfs/dbraw/zinc/68/43/21/763684321.db2.gz ULVXKEPDVHXARJ-OLZOCXBDSA-N 1 2 335.433 0.351 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c[nH]nc3CCC)C2)CC1 ZINC001052048047 763693998 /nfs/dbraw/zinc/69/39/98/763693998.db2.gz JJCLKCZUPKUGKF-OAHLLOKOSA-N 1 2 329.448 0.828 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000941302000 763694540 /nfs/dbraw/zinc/69/45/40/763694540.db2.gz FPGYTMLAUHWRNU-QGZVFWFLSA-N 1 2 336.395 0.824 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn4cccnc4n3)C2)CC1 ZINC001052048340 763695452 /nfs/dbraw/zinc/69/54/52/763695452.db2.gz QPWHFBIYUOLYDT-CQSZACIVSA-N 1 2 339.403 0.085 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)Cn3nc(C)cc3C)C2)CC1 ZINC001052048710 763698019 /nfs/dbraw/zinc/69/80/19/763698019.db2.gz BYVVYCKVGXTOMU-SFHVURJKSA-N 1 2 343.475 0.742 20 30 ECEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@H]2CCc3[nH+]ccn3C2)cn1 ZINC001106014659 763713308 /nfs/dbraw/zinc/71/33/08/763713308.db2.gz BKPFLHPNOYHPOF-SWLSCSKDSA-N 1 2 340.387 0.301 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)CC1 ZINC001052053191 763718564 /nfs/dbraw/zinc/71/85/64/763718564.db2.gz GOFNVYCWJZGZPH-LUKYLMHMSA-N 1 2 332.448 0.544 20 30 ECEDLO C=CCCO[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1nc(COC)no1 ZINC001124487637 763742578 /nfs/dbraw/zinc/74/25/78/763742578.db2.gz GCQQPEJYUMWJFS-NWDGAFQWSA-N 1 2 326.397 0.964 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](O)C2)C1 ZINC000991817880 763743027 /nfs/dbraw/zinc/74/30/27/763743027.db2.gz QEGZMOCDNXJLHT-KBPBESRZSA-N 1 2 332.404 0.387 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(Cc3nnnn3C)CC2)C1 ZINC001052063569 763749515 /nfs/dbraw/zinc/74/95/15/763749515.db2.gz WHEXGVRMWYCQMD-AWEZNQCLSA-N 1 2 347.467 0.141 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(CC)nnc3C)CC2)C1 ZINC000941501479 763782350 /nfs/dbraw/zinc/78/23/50/763782350.db2.gz FCHIGQQTJZSDBY-UHFFFAOYSA-N 1 2 341.459 0.813 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCCCC(=O)N3)C2)CC1 ZINC001052078727 763790933 /nfs/dbraw/zinc/79/09/33/763790933.db2.gz AGRBIBWXXRHJFC-IAGOWNOFSA-N 1 2 346.475 0.287 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)CC1 ZINC001052086216 763813133 /nfs/dbraw/zinc/81/31/33/763813133.db2.gz PGQYZZUTYOVBFO-IXDOHACOSA-N 1 2 346.475 0.130 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H](C2CC[NH+](Cc3nnnn3C)CC2)C1 ZINC001047226601 763816610 /nfs/dbraw/zinc/81/66/10/763816610.db2.gz RSCGUOLBARJNHE-DZGCQCFKSA-N 1 2 345.451 0.820 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccn(CC)n3)C2)CC1 ZINC001052092735 763834340 /nfs/dbraw/zinc/83/43/40/763834340.db2.gz HQKNCCDIVWNMNZ-INIZCTEOSA-N 1 2 329.448 0.758 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CCC[C@H](C)C3)C2)CC1 ZINC001052093472 763836019 /nfs/dbraw/zinc/83/60/19/763836019.db2.gz PKCTXMPVKRMWKR-IRXDYDNUSA-N 1 2 346.475 0.097 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)C(=O)N3CCC[C@H](C)C3)C2)CC1 ZINC001052093472 763836027 /nfs/dbraw/zinc/83/60/27/763836027.db2.gz PKCTXMPVKRMWKR-IRXDYDNUSA-N 1 2 346.475 0.097 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3CCC(=O)N3)C2)CC1 ZINC001052096070 763845970 /nfs/dbraw/zinc/84/59/70/763845970.db2.gz DPVNLCQBVGJAGD-JKSUJKDBSA-N 1 2 334.464 0.450 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)COc3cccnc3)C2)CC1 ZINC001052098917 763856333 /nfs/dbraw/zinc/85/63/33/763856333.db2.gz QQJVFDTXIFSEGI-INIZCTEOSA-N 1 2 328.416 0.312 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc(C)nc3C)C2)CC1 ZINC001052100011 763860262 /nfs/dbraw/zinc/86/02/62/763860262.db2.gz XCFLQSPRDAXPIS-KRWDZBQOSA-N 1 2 341.459 0.949 20 30 ECEDLO Cn1cc(C(C)(C)C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)cn1 ZINC001052102402 763866579 /nfs/dbraw/zinc/86/65/79/763866579.db2.gz ZUVVRTFVYXDOEP-INIZCTEOSA-N 1 2 344.463 0.440 20 30 ECEDLO CN(C(=O)C1=COCCO1)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047289162 763893220 /nfs/dbraw/zinc/89/32/20/763893220.db2.gz XYJXSJDEBGERPM-KBPBESRZSA-N 1 2 349.412 0.511 20 30 ECEDLO CN(C(=O)C1=COCCO1)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047289162 763893232 /nfs/dbraw/zinc/89/32/32/763893232.db2.gz XYJXSJDEBGERPM-KBPBESRZSA-N 1 2 349.412 0.511 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ncccc3OC)C2)CC1 ZINC001052112056 763906483 /nfs/dbraw/zinc/90/64/83/763906483.db2.gz LIGTWKGOLZURDT-HNNXBMFYSA-N 1 2 328.416 0.556 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ncccc3OC)C2)CC1 ZINC001052112056 763906489 /nfs/dbraw/zinc/90/64/89/763906489.db2.gz LIGTWKGOLZURDT-HNNXBMFYSA-N 1 2 328.416 0.556 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn4ccccc4n3)C2)CC1 ZINC001052113523 763912003 /nfs/dbraw/zinc/91/20/03/763912003.db2.gz XSYYHRLMEFZXAW-MRXNPFEDSA-N 1 2 337.427 0.800 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3c(C)n[nH]c3C)C2)CC1 ZINC001052117144 763927107 /nfs/dbraw/zinc/92/71/07/763927107.db2.gz HQQIPEQEVYEDRC-INIZCTEOSA-N 1 2 329.448 0.421 20 30 ECEDLO CCc1onc(C)c1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052117550 763928906 /nfs/dbraw/zinc/92/89/06/763928906.db2.gz SEPNAHZFGIOCBT-CQSZACIVSA-N 1 2 331.420 0.901 20 30 ECEDLO CCc1cc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)nn1C ZINC001052123390 763948654 /nfs/dbraw/zinc/94/86/54/763948654.db2.gz GSIKNEZWSQHTME-OAHLLOKOSA-N 1 2 330.436 0.338 20 30 ECEDLO CN(C(=O)[C@@H]1CCOC1)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047321933 763989987 /nfs/dbraw/zinc/98/99/87/763989987.db2.gz LCLXNZCBJGUMQP-SQNIBIBYSA-N 1 2 328.412 0.578 20 30 ECEDLO CN(C(=O)[C@@H]1CCOC1)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047321933 763989989 /nfs/dbraw/zinc/98/99/89/763989989.db2.gz LCLXNZCBJGUMQP-SQNIBIBYSA-N 1 2 328.412 0.578 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3coc(C)c3)C2)C1=O ZINC001047361160 764113972 /nfs/dbraw/zinc/11/39/72/764113972.db2.gz HBOOXYGBOFSWKH-PMPSAXMXSA-N 1 2 347.415 0.492 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3coc(C)c3)C2)C1=O ZINC001047361160 764113977 /nfs/dbraw/zinc/11/39/77/764113977.db2.gz HBOOXYGBOFSWKH-PMPSAXMXSA-N 1 2 347.415 0.492 20 30 ECEDLO N#Cc1nccnc1N1CC=C(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001089865204 764144384 /nfs/dbraw/zinc/14/43/84/764144384.db2.gz OPDGHGALLINRDW-UHFFFAOYSA-N 1 2 337.387 0.957 20 30 ECEDLO C#CCCCCCC(=O)NC[C@@H](O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106054037 764151441 /nfs/dbraw/zinc/15/14/41/764151441.db2.gz JCWNMPNIJTWXGC-CQSZACIVSA-N 1 2 348.451 0.719 20 30 ECEDLO Cn1ncc(C[N@@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)CC2)n1 ZINC001052314250 764234068 /nfs/dbraw/zinc/23/40/68/764234068.db2.gz HFJZLEGWUDKKQV-CYBMUJFWSA-N 1 2 327.392 0.799 20 30 ECEDLO Cn1ncc(C[N@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)CC2)n1 ZINC001052314250 764234078 /nfs/dbraw/zinc/23/40/78/764234078.db2.gz HFJZLEGWUDKKQV-CYBMUJFWSA-N 1 2 327.392 0.799 20 30 ECEDLO C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC001047406340 764244908 /nfs/dbraw/zinc/24/49/08/764244908.db2.gz CLJWWOSHPBXNEI-MELADBBJSA-N 1 2 330.450 0.033 20 30 ECEDLO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC001047406340 764244911 /nfs/dbraw/zinc/24/49/11/764244911.db2.gz CLJWWOSHPBXNEI-MELADBBJSA-N 1 2 330.450 0.033 20 30 ECEDLO C=CCCn1cc(C(=O)NCC2C[NH+](Cc3cnc(C)nc3)C2)nn1 ZINC001032041338 764252448 /nfs/dbraw/zinc/25/24/48/764252448.db2.gz JTTDAOVUGMWBFE-UHFFFAOYSA-N 1 2 341.419 0.814 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001015260684 764265186 /nfs/dbraw/zinc/26/51/86/764265186.db2.gz LNCVSGRQGMYHMA-RISCZKNCSA-N 1 2 340.387 0.961 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCc3cnccn3)C2)nn1 ZINC001098763060 764311421 /nfs/dbraw/zinc/31/14/21/764311421.db2.gz SYRDEEITJFJFSI-MRXNPFEDSA-N 1 2 339.403 0.197 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC001077478460 764341108 /nfs/dbraw/zinc/34/11/08/764341108.db2.gz BTISFKXEEBZEKZ-HUUCEWRRSA-N 1 2 325.372 0.066 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC001077478460 764341112 /nfs/dbraw/zinc/34/11/12/764341112.db2.gz BTISFKXEEBZEKZ-HUUCEWRRSA-N 1 2 325.372 0.066 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)c3ccccc3[nH]2)C1 ZINC001047447385 764375299 /nfs/dbraw/zinc/37/52/99/764375299.db2.gz PPMPMFUKLUGRJL-WMZOPIPTSA-N 1 2 339.395 0.669 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)c3ccccc3[nH]2)C1 ZINC001047447385 764375303 /nfs/dbraw/zinc/37/53/03/764375303.db2.gz PPMPMFUKLUGRJL-WMZOPIPTSA-N 1 2 339.395 0.669 20 30 ECEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001052385250 764384828 /nfs/dbraw/zinc/38/48/28/764384828.db2.gz RPXDRECOEOVLGA-VXGBXAGGSA-N 1 2 340.387 0.676 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cnnn3C)[C@@H]2C)nn1 ZINC001088910846 764428811 /nfs/dbraw/zinc/42/88/11/764428811.db2.gz KNDVWXOQGQPBFE-OCCSQVGLSA-N 1 2 344.423 0.376 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cnnn3C)[C@@H]2C)nn1 ZINC001088910846 764428814 /nfs/dbraw/zinc/42/88/14/764428814.db2.gz KNDVWXOQGQPBFE-OCCSQVGLSA-N 1 2 344.423 0.376 20 30 ECEDLO CCN(CCNc1ccc(C#N)nn1)C(=O)CCc1[nH+]ccn1C ZINC001107000517 764511880 /nfs/dbraw/zinc/51/18/80/764511880.db2.gz AFXGOJHYUFYYAI-UHFFFAOYSA-N 1 2 327.392 0.975 20 30 ECEDLO C=C1CCC(C(=O)N(C)[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@H]2O)CC1 ZINC001047512591 764557232 /nfs/dbraw/zinc/55/72/32/764557232.db2.gz UIOOVZGFHIIWEF-IRXDYDNUSA-N 1 2 349.475 0.859 20 30 ECEDLO C=C1CCC(C(=O)N(C)[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@H]2O)CC1 ZINC001047512591 764557234 /nfs/dbraw/zinc/55/72/34/764557234.db2.gz UIOOVZGFHIIWEF-IRXDYDNUSA-N 1 2 349.475 0.859 20 30 ECEDLO C=CCn1cc(C(=O)N(C)[C@H]2C[N@H+](Cc3cc(C)no3)C[C@@H]2O)nn1 ZINC001047554486 764682645 /nfs/dbraw/zinc/68/26/45/764682645.db2.gz XTYIJGDFRDQTIQ-GJZGRUSLSA-N 1 2 346.391 0.078 20 30 ECEDLO C=CCn1cc(C(=O)N(C)[C@H]2C[N@@H+](Cc3cc(C)no3)C[C@@H]2O)nn1 ZINC001047554486 764682652 /nfs/dbraw/zinc/68/26/52/764682652.db2.gz XTYIJGDFRDQTIQ-GJZGRUSLSA-N 1 2 346.391 0.078 20 30 ECEDLO CN(C(=O)[C@@]1(C)CCOC1)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047579490 764760334 /nfs/dbraw/zinc/76/03/34/764760334.db2.gz QOUFQFXKEDKXPL-BJLQDIEVSA-N 1 2 342.439 0.968 20 30 ECEDLO CN(C(=O)[C@@]1(C)CCOC1)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047579490 764760343 /nfs/dbraw/zinc/76/03/43/764760343.db2.gz QOUFQFXKEDKXPL-BJLQDIEVSA-N 1 2 342.439 0.968 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3ccc(OC)nn3)C2)cn1 ZINC001032136868 764788872 /nfs/dbraw/zinc/78/88/72/764788872.db2.gz JXMWLLBGPXJJMM-UHFFFAOYSA-N 1 2 337.383 0.723 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000991987597 765072333 /nfs/dbraw/zinc/07/23/33/765072333.db2.gz KJYOPMGUJLXRHT-HOCLYGCPSA-N 1 2 332.404 0.651 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cnon3)CC2)nn1 ZINC001052775304 765097965 /nfs/dbraw/zinc/09/79/65/765097965.db2.gz SJVCZUOFVLTNBL-LBPRGKRZSA-N 1 2 331.380 0.632 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cnon3)CC2)nn1 ZINC001052775304 765097976 /nfs/dbraw/zinc/09/79/76/765097976.db2.gz SJVCZUOFVLTNBL-LBPRGKRZSA-N 1 2 331.380 0.632 20 30 ECEDLO C[C@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)CCNC1=O ZINC001015695296 765177161 /nfs/dbraw/zinc/17/71/61/765177161.db2.gz IHMTUJPGBCTXNR-YJBOKZPZSA-N 1 2 326.400 0.775 20 30 ECEDLO C[C@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CCNC1=O ZINC001015695296 765177165 /nfs/dbraw/zinc/17/71/65/765177165.db2.gz IHMTUJPGBCTXNR-YJBOKZPZSA-N 1 2 326.400 0.775 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cc(COC)on3)C2)C1=O ZINC001015802771 765351217 /nfs/dbraw/zinc/35/12/17/765351217.db2.gz FKEQTDVHZZUVLP-SWLSCSKDSA-N 1 2 348.403 0.412 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(COC)on3)C2)C1=O ZINC001015802771 765351224 /nfs/dbraw/zinc/35/12/24/765351224.db2.gz FKEQTDVHZZUVLP-SWLSCSKDSA-N 1 2 348.403 0.412 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccnn3C)C2)nn1 ZINC001015821165 765383573 /nfs/dbraw/zinc/38/35/73/765383573.db2.gz RUIFHHKSNWSUSA-CYBMUJFWSA-N 1 2 329.408 0.592 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccnn3C)C2)nn1 ZINC001015821165 765383580 /nfs/dbraw/zinc/38/35/80/765383580.db2.gz RUIFHHKSNWSUSA-CYBMUJFWSA-N 1 2 329.408 0.592 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3nccnc3C)C2)nn1 ZINC001015821158 765383708 /nfs/dbraw/zinc/38/37/08/765383708.db2.gz RNURJNVSLJTVCI-CQSZACIVSA-N 1 2 341.419 0.957 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3nccnc3C)C2)nn1 ZINC001015821158 765383714 /nfs/dbraw/zinc/38/37/14/765383714.db2.gz RNURJNVSLJTVCI-CQSZACIVSA-N 1 2 341.419 0.957 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000992075013 765386518 /nfs/dbraw/zinc/38/65/18/765386518.db2.gz RQZXSTXIJIXYRO-KQTLUZQSSA-N 1 2 344.415 0.821 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000992075013 765386526 /nfs/dbraw/zinc/38/65/26/765386526.db2.gz RQZXSTXIJIXYRO-KQTLUZQSSA-N 1 2 344.415 0.821 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3cnccn3)C[C@H]2O)cc1 ZINC001077493731 765585903 /nfs/dbraw/zinc/58/59/03/765585903.db2.gz INBBUECKUZCWGB-FSPWUOQZSA-N 1 2 336.395 0.994 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3cnccn3)C[C@H]2O)cc1 ZINC001077493731 765585906 /nfs/dbraw/zinc/58/59/06/765585906.db2.gz INBBUECKUZCWGB-FSPWUOQZSA-N 1 2 336.395 0.994 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001015942594 765590289 /nfs/dbraw/zinc/59/02/89/765590289.db2.gz CEORQGUYPVAKDV-SNVBAGLBSA-N 1 2 328.800 0.260 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001015942594 765590298 /nfs/dbraw/zinc/59/02/98/765590298.db2.gz CEORQGUYPVAKDV-SNVBAGLBSA-N 1 2 328.800 0.260 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001015970806 765643011 /nfs/dbraw/zinc/64/30/11/765643011.db2.gz STPZVBQDRHOJCX-CQSZACIVSA-N 1 2 344.415 0.683 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001015970806 765643016 /nfs/dbraw/zinc/64/30/16/765643016.db2.gz STPZVBQDRHOJCX-CQSZACIVSA-N 1 2 344.415 0.683 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000992156225 765698323 /nfs/dbraw/zinc/69/83/23/765698323.db2.gz YASKHMSAONXFDX-CVSAEHQPSA-N 1 2 346.431 0.944 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)Cc2c[nH+]cn2C)nc1 ZINC001077497974 765705166 /nfs/dbraw/zinc/70/51/66/765705166.db2.gz BRTYDHICNIPVAW-ZDUSSCGKSA-N 1 2 339.399 0.664 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cn(CCOC)nn1)CCO2 ZINC001053251082 765842040 /nfs/dbraw/zinc/84/20/40/765842040.db2.gz XLGFEZYDCFAAGY-UHFFFAOYSA-N 1 2 335.408 0.027 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc3c(cn1)OCCO3)CCO2 ZINC001053289886 765917405 /nfs/dbraw/zinc/91/74/05/765917405.db2.gz HLYFCBBJBHVGIU-UHFFFAOYSA-N 1 2 345.399 0.956 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCOC3(CN(CC#N)C3)C1)C2 ZINC001053315712 765956321 /nfs/dbraw/zinc/95/63/21/765956321.db2.gz JLBHICAKLIBHCJ-CYBMUJFWSA-N 1 2 329.404 0.260 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCOC3(CN(CC#N)C3)C1)CC2 ZINC001053315712 765956322 /nfs/dbraw/zinc/95/63/22/765956322.db2.gz JLBHICAKLIBHCJ-CYBMUJFWSA-N 1 2 329.404 0.260 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc3[nH]c(=O)[nH]c3n1)CCO2 ZINC001053394531 766076359 /nfs/dbraw/zinc/07/63/59/766076359.db2.gz MIKSYRSEKYESCH-UHFFFAOYSA-N 1 2 343.387 0.766 20 30 ECEDLO C[C@@]12CN(C(=O)C#CC3CC3)C[C@@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC000993181076 768347381 /nfs/dbraw/zinc/34/73/81/768347381.db2.gz QSVFTMXRVGQACL-APWZRJJASA-N 1 2 340.427 0.994 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C(=O)N1CCC[C@H](C)C1)CCO2 ZINC001053461145 766170781 /nfs/dbraw/zinc/17/07/81/766170781.db2.gz OJBHKAPSWYBTIW-HNNXBMFYSA-N 1 2 335.448 0.734 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 ZINC001106122116 766172147 /nfs/dbraw/zinc/17/21/47/766172147.db2.gz RMHDYVKHJVVYGD-RRFJBIMHSA-N 1 2 340.387 0.379 20 30 ECEDLO C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1CNCC#N ZINC001106474626 768354300 /nfs/dbraw/zinc/35/43/00/768354300.db2.gz PQYGBASCEFPOOV-OIISXLGYSA-N 1 2 334.464 0.695 20 30 ECEDLO C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C[C@H]1CNCC#N ZINC001106474626 768354305 /nfs/dbraw/zinc/35/43/05/768354305.db2.gz PQYGBASCEFPOOV-OIISXLGYSA-N 1 2 334.464 0.695 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001016421003 766268296 /nfs/dbraw/zinc/26/82/96/766268296.db2.gz AHDIHPYGBPUFHF-UHFFFAOYSA-N 1 2 326.360 0.502 20 30 ECEDLO C[C@H](CCNc1ccnc(C#N)n1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001106486143 768366326 /nfs/dbraw/zinc/36/63/26/768366326.db2.gz YFYOLLLCZPKOBK-CHWSQXEVSA-N 1 2 339.403 0.536 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2cncn2)nc1 ZINC001017783117 768366576 /nfs/dbraw/zinc/36/65/76/768366576.db2.gz XOSPVUDBWPDACT-IYBDPMFKSA-N 1 2 336.399 0.974 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2cncn2)nc1 ZINC001017783117 768366584 /nfs/dbraw/zinc/36/65/84/768366584.db2.gz XOSPVUDBWPDACT-IYBDPMFKSA-N 1 2 336.399 0.974 20 30 ECEDLO Cn1cnc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)n1 ZINC001031647956 766335250 /nfs/dbraw/zinc/33/52/50/766335250.db2.gz CQFOUIHUTLPBJP-UHFFFAOYSA-N 1 2 327.363 0.668 20 30 ECEDLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)C#CC1CC1 ZINC001212251055 766424250 /nfs/dbraw/zinc/42/42/50/766424250.db2.gz OARAZKWOEPPSKK-NUEKZKHPSA-N 1 2 335.448 0.376 20 30 ECEDLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1NC(=O)C#CC1CC1 ZINC001212251055 766424255 /nfs/dbraw/zinc/42/42/55/766424255.db2.gz OARAZKWOEPPSKK-NUEKZKHPSA-N 1 2 335.448 0.376 20 30 ECEDLO N#CCN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCn3cc[nH+]c3C1)O2 ZINC001053618939 766446615 /nfs/dbraw/zinc/44/66/15/766446615.db2.gz GLRABSQJJCBKFL-ZIAGYGMSSA-N 1 2 329.404 0.319 20 30 ECEDLO N#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCc3[nH+]ccn3C1)O2 ZINC001053619425 766449204 /nfs/dbraw/zinc/44/92/04/766449204.db2.gz RTHQHEYUJUGWCL-KGLIPLIRSA-N 1 2 329.404 0.319 20 30 ECEDLO O=C(C#CC1CC1)N1CCc2sc(C[NH2+][C@@H]3CCNC3=O)nc2C1 ZINC001089274836 766473563 /nfs/dbraw/zinc/47/35/63/766473563.db2.gz CXRCLGVGQLFGQP-GFCCVEGCSA-N 1 2 344.440 0.419 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccnc3n[nH]nc31)O2 ZINC001053631521 766479043 /nfs/dbraw/zinc/47/90/43/766479043.db2.gz ZKPVNXDTMAYQQM-NSHDSACASA-N 1 2 328.376 0.502 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C)O2 ZINC001053660618 766532545 /nfs/dbraw/zinc/53/25/45/766532545.db2.gz MHHDAMGRLQYSES-SOUVJXGZSA-N 1 2 335.448 0.636 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCC2(CN(CC#N)C2)O1 ZINC001053665706 766540288 /nfs/dbraw/zinc/54/02/88/766540288.db2.gz VFLCIAMYSIKGPI-BFHYXJOUSA-N 1 2 329.404 0.397 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)O2 ZINC001053696341 766608374 /nfs/dbraw/zinc/60/83/74/766608374.db2.gz GQJMDAJNEXYQEK-GFCCVEGCSA-N 1 2 348.403 0.025 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cc4n(n3)CCC4)CC2)C1 ZINC001046034742 766716281 /nfs/dbraw/zinc/71/62/81/766716281.db2.gz ZPAHHLCJCPONCK-HNNXBMFYSA-N 1 2 328.420 0.185 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3ccnc4ccnn43)CC2)C1 ZINC001046035747 766722193 /nfs/dbraw/zinc/72/21/93/766722193.db2.gz RVDMGWLMFWDZNN-AWEZNQCLSA-N 1 2 339.403 0.085 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@H]3CCCn4nccc43)CC2)C1 ZINC001046037886 766737195 /nfs/dbraw/zinc/73/71/95/766737195.db2.gz BGTFJHDXWYKJCC-CVEARBPZSA-N 1 2 342.447 0.503 20 30 ECEDLO Cn1c(Cl)ncc1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046043287 766761199 /nfs/dbraw/zinc/76/11/99/766761199.db2.gz APCAEJJKUWTTBP-GFCCVEGCSA-N 1 2 336.827 0.429 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@]34CCC[C@H]3OCC4)CC2)C1 ZINC001046044085 766764650 /nfs/dbraw/zinc/76/46/50/766764650.db2.gz ORFGEDUWASEPEK-JZXOWHBKSA-N 1 2 332.448 0.688 20 30 ECEDLO C[C@@H](CC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1)c1cnn(C)c1 ZINC001046045946 766771785 /nfs/dbraw/zinc/77/17/85/766771785.db2.gz RSINEEITHQMTCW-DOTOQJQBSA-N 1 2 344.463 0.656 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)C1 ZINC001046045796 766772241 /nfs/dbraw/zinc/77/22/41/766772241.db2.gz NKYGAODAALEGGG-VVLHAWIVSA-N 1 2 332.448 0.544 20 30 ECEDLO Cn1c[nH+]cc1CN1CC2(C1)C[C@H](NC(=O)c1c[nH]c(C#N)c1)CO2 ZINC001053780748 766821243 /nfs/dbraw/zinc/82/12/43/766821243.db2.gz QFTBRIVSUAGNEX-AWEZNQCLSA-N 1 2 340.387 0.393 20 30 ECEDLO Cc1cc(CCC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)no1 ZINC001046061565 766830009 /nfs/dbraw/zinc/83/00/09/766830009.db2.gz NLMVPJZGYPMOHW-INIZCTEOSA-N 1 2 331.420 0.658 20 30 ECEDLO N#CCN1CCC2(C[C@H]2NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001016748249 766839347 /nfs/dbraw/zinc/83/93/47/766839347.db2.gz JJTGFVVWRDUEJU-DLBZAZTESA-N 1 2 346.475 0.982 20 30 ECEDLO N#CCN1CCC2(C[C@H]2NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001016748249 766839358 /nfs/dbraw/zinc/83/93/58/766839358.db2.gz JJTGFVVWRDUEJU-DLBZAZTESA-N 1 2 346.475 0.982 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc(N(C)C)cn1)CO2 ZINC001053800996 766884168 /nfs/dbraw/zinc/88/41/68/766884168.db2.gz BDYYBTIPZJLZQN-ZDUSSCGKSA-N 1 2 329.404 0.139 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC(OC2CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC000994821252 766884307 /nfs/dbraw/zinc/88/43/07/766884307.db2.gz FQVYRKVJONTGCS-LBPRGKRZSA-N 1 2 345.403 0.330 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1cccc(C)c1=O)CO2 ZINC001053801463 766885053 /nfs/dbraw/zinc/88/50/53/766885053.db2.gz NPKOWQUHRVBSAZ-OAHLLOKOSA-N 1 2 331.416 0.692 20 30 ECEDLO C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1OC ZINC001212268189 766892629 /nfs/dbraw/zinc/89/26/29/766892629.db2.gz TYHSCWKPVKNFFM-HUUCEWRRSA-N 1 2 341.452 0.311 20 30 ECEDLO C=CCCOCCCCC(=O)N[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1OC ZINC001212268189 766892638 /nfs/dbraw/zinc/89/26/38/766892638.db2.gz TYHSCWKPVKNFFM-HUUCEWRRSA-N 1 2 341.452 0.311 20 30 ECEDLO CC(C)n1cc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)nn1 ZINC001046075045 766893893 /nfs/dbraw/zinc/89/38/93/766893893.db2.gz NRGPFGUERODBHA-CQSZACIVSA-N 1 2 331.424 0.215 20 30 ECEDLO COc1cccnc1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046079946 766914243 /nfs/dbraw/zinc/91/42/43/766914243.db2.gz IAVXPGVAWNNOGO-CQSZACIVSA-N 1 2 329.404 0.446 20 30 ECEDLO Cc1nn(C)c(F)c1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046082439 766921525 /nfs/dbraw/zinc/92/15/25/766921525.db2.gz WXLDDECILOAJJO-ZDUSSCGKSA-N 1 2 334.399 0.223 20 30 ECEDLO Cc1n[nH]c(C)c1CC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046082962 766922432 /nfs/dbraw/zinc/92/24/32/766922432.db2.gz YZNMABKTKBJNIK-OAHLLOKOSA-N 1 2 330.436 0.311 20 30 ECEDLO C[C@@H](C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1)c1cnn(C)c1 ZINC001046085781 766927792 /nfs/dbraw/zinc/92/77/92/766927792.db2.gz DMOMKHKTKGSUDD-ZBFHGGJFSA-N 1 2 330.436 0.266 20 30 ECEDLO CCc1nc(CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)cs1 ZINC001046086904 766929828 /nfs/dbraw/zinc/92/98/28/766929828.db2.gz QZCAXZULSPLGBB-HNNXBMFYSA-N 1 2 347.488 0.990 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3CC34CCOCC4)CC2)C1 ZINC001046090065 766931972 /nfs/dbraw/zinc/93/19/72/766931972.db2.gz NJCSNALLBSJUAW-HOTGVXAUSA-N 1 2 332.448 0.545 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1COC3(CN(CC#N)C3)C1)C2 ZINC001053851316 767018307 /nfs/dbraw/zinc/01/83/07/767018307.db2.gz PRKJBCOSPWPNRP-QWHCGFSZSA-N 1 2 329.404 0.306 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1COC3(CN(CC#N)C3)C1)CC2 ZINC001053851316 767018317 /nfs/dbraw/zinc/01/83/17/767018317.db2.gz PRKJBCOSPWPNRP-QWHCGFSZSA-N 1 2 329.404 0.306 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3nccn3C1)CO2 ZINC001053851787 767021873 /nfs/dbraw/zinc/02/18/73/767021873.db2.gz AVTAOHNEYCVMNM-LSDHHAIUSA-N 1 2 328.416 0.428 20 30 ECEDLO C=CC[NH+]1CCC2(C[C@@H]2NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001016881866 767090993 /nfs/dbraw/zinc/09/09/93/767090993.db2.gz JRWQRJKILJVSFY-ZDUSSCGKSA-N 1 2 342.403 0.228 20 30 ECEDLO CCn1nncc1C[N@@H+]1CC[C@@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046252942 767110816 /nfs/dbraw/zinc/11/08/16/767110816.db2.gz MNLLHLUWMSXOMA-MRXNPFEDSA-N 1 2 327.392 0.892 20 30 ECEDLO CCn1nncc1C[N@H+]1CC[C@@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046252942 767110818 /nfs/dbraw/zinc/11/08/18/767110818.db2.gz MNLLHLUWMSXOMA-MRXNPFEDSA-N 1 2 327.392 0.892 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3c[nH]nc32)[C@H](OC)C1 ZINC001212282422 767130252 /nfs/dbraw/zinc/13/02/52/767130252.db2.gz SKXPHWZTSYWILP-ARFHVFGLSA-N 1 2 346.431 0.295 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3c[nH]nc32)[C@H](OC)C1 ZINC001212282422 767130253 /nfs/dbraw/zinc/13/02/53/767130253.db2.gz SKXPHWZTSYWILP-ARFHVFGLSA-N 1 2 346.431 0.295 20 30 ECEDLO C[C@@]1(NC(=O)C2CS(=O)(=O)C2)CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001046341133 767156484 /nfs/dbraw/zinc/15/64/84/767156484.db2.gz DOKHEOGPQWZKIG-QGZVFWFLSA-N 1 2 347.440 0.683 20 30 ECEDLO C[C@@]1(NC(=O)C2CS(=O)(=O)C2)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001046341133 767156487 /nfs/dbraw/zinc/15/64/87/767156487.db2.gz DOKHEOGPQWZKIG-QGZVFWFLSA-N 1 2 347.440 0.683 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1ccccc1C(N)=O)CO2 ZINC001053888439 767220374 /nfs/dbraw/zinc/22/03/74/767220374.db2.gz JZQATRGBMAXGAH-OAHLLOKOSA-N 1 2 341.411 0.311 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1c(C)cc(C)[nH]c1=O)CO2 ZINC001053904006 767311124 /nfs/dbraw/zinc/31/11/24/767311124.db2.gz CMLZSQUTLNPVHN-HNNXBMFYSA-N 1 2 343.427 0.929 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccnc3c1nnn3C)CO2 ZINC001053908492 767329111 /nfs/dbraw/zinc/32/91/11/767329111.db2.gz UTTNIANGIRYAEX-LBPRGKRZSA-N 1 2 342.403 0.513 20 30 ECEDLO C#Cc1cncc(C(=O)NCC[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001078289012 782622385 /nfs/dbraw/zinc/62/23/85/782622385.db2.gz ZRKYJWYUSGAVIB-LBPRGKRZSA-N 1 2 325.372 0.653 20 30 ECEDLO N#Cc1cnc(NC[C@@H](O)CNC(=O)CCc2c[nH]c[nH+]2)c(Cl)c1 ZINC001106150551 767365472 /nfs/dbraw/zinc/36/54/72/767365472.db2.gz XGGIXBSJJJBCIC-LBPRGKRZSA-N 1 2 348.794 0.852 20 30 ECEDLO N#Cc1cnc(NC[C@@H](O)CNC(=O)CCc2c[nH+]c[nH]2)c(Cl)c1 ZINC001106150551 767365481 /nfs/dbraw/zinc/36/54/81/767365481.db2.gz XGGIXBSJJJBCIC-LBPRGKRZSA-N 1 2 348.794 0.852 20 30 ECEDLO C[C@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046629102 767397135 /nfs/dbraw/zinc/39/71/35/767397135.db2.gz XCLNJDALEZSMPX-VKJFTORMSA-N 1 2 344.390 0.899 20 30 ECEDLO C[C@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046629102 767397142 /nfs/dbraw/zinc/39/71/42/767397142.db2.gz XCLNJDALEZSMPX-VKJFTORMSA-N 1 2 344.390 0.899 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)NC[C@@H](O)CNc2ccc(C#N)cn2)c[nH+]1 ZINC001106158867 767409185 /nfs/dbraw/zinc/40/91/85/767409185.db2.gz BBAPVQATPHHNFV-AWEZNQCLSA-N 1 2 342.403 0.783 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC(=O)N(CCC)C1)CO2 ZINC001053940590 767409629 /nfs/dbraw/zinc/40/96/29/767409629.db2.gz HWEHHJXXPNJAGO-LSDHHAIUSA-N 1 2 333.432 0.228 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)c[nH+]1 ZINC001106160156 767413346 /nfs/dbraw/zinc/41/33/46/767413346.db2.gz VXPFJVWGCDKKFN-ZDUSSCGKSA-N 1 2 343.391 0.178 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)NC[C@@H](O)CNc2ccncc2C#N)c[nH+]1 ZINC001106160221 767414640 /nfs/dbraw/zinc/41/46/40/767414640.db2.gz XZBVRKYHBGGAOK-AWEZNQCLSA-N 1 2 342.403 0.204 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@H]2COC3(C[NH+](C[C@@H](C)O)C3)C2)cc1 ZINC001053946459 767424322 /nfs/dbraw/zinc/42/43/22/767424322.db2.gz WYWSRUWSAVSHRM-GDBMZVCRSA-N 1 2 344.411 0.653 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1CC1)CO2 ZINC001053949453 767431687 /nfs/dbraw/zinc/43/16/87/767431687.db2.gz HXTYIUUQBCWSLM-HOTGVXAUSA-N 1 2 347.459 0.923 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3nncn3c1)CO2 ZINC001053955521 767444115 /nfs/dbraw/zinc/44/41/15/767444115.db2.gz LMHKZPQBOGPJSM-CQSZACIVSA-N 1 2 327.388 0.879 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)N1CCOCC1)CO2 ZINC001053956340 767446833 /nfs/dbraw/zinc/44/68/33/767446833.db2.gz DODOZRAYPKTHHH-OAHLLOKOSA-N 1 2 337.464 0.633 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1CCCCC(=O)N1)CO2 ZINC001053993557 767548219 /nfs/dbraw/zinc/54/82/19/767548219.db2.gz OOHHZBFTIZLIKT-GJZGRUSLSA-N 1 2 333.432 0.418 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nc3nccc(C)n3n1)CO2 ZINC001053996111 767554020 /nfs/dbraw/zinc/55/40/20/767554020.db2.gz BWMQZGKHJAVALI-CYBMUJFWSA-N 1 2 340.387 0.029 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1COc3ccccc3O1)CO2 ZINC001053996051 767554103 /nfs/dbraw/zinc/55/41/03/767554103.db2.gz AHZKAYKMPMHOLP-WMLDXEAASA-N 1 2 342.395 0.809 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1c(C)nc(C)[nH]c1=O)CO2 ZINC001054005779 767574884 /nfs/dbraw/zinc/57/48/84/767574884.db2.gz MABKVHMEYFSKHX-CQSZACIVSA-N 1 2 346.431 0.877 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)N1CCCCC1=O)CO2 ZINC001054016390 767606227 /nfs/dbraw/zinc/60/62/27/767606227.db2.gz BNZQRKXGNVDMAR-GJZGRUSLSA-N 1 2 335.448 0.923 20 30 ECEDLO N#CCN1CC2(C1)C[C@H](NC(=O)C[N@@H+]1CCc3sccc3C1)CO2 ZINC001054016157 767606238 /nfs/dbraw/zinc/60/62/38/767606238.db2.gz WGWCGHHKEPOUGV-AWEZNQCLSA-N 1 2 346.456 0.589 20 30 ECEDLO N#CCN1CC2(C1)C[C@H](NC(=O)C[N@H+]1CCc3sccc3C1)CO2 ZINC001054016157 767606242 /nfs/dbraw/zinc/60/62/42/767606242.db2.gz WGWCGHHKEPOUGV-AWEZNQCLSA-N 1 2 346.456 0.589 20 30 ECEDLO CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1COCCO1 ZINC001054032538 767632250 /nfs/dbraw/zinc/63/22/50/767632250.db2.gz BWCGTMSRLXNSAT-QZTJIDSGSA-N 1 2 328.412 0.968 20 30 ECEDLO CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1COCCO1 ZINC001054032538 767632255 /nfs/dbraw/zinc/63/22/55/767632255.db2.gz BWCGTMSRLXNSAT-QZTJIDSGSA-N 1 2 328.412 0.968 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1COCCN1CC ZINC001054044981 767644121 /nfs/dbraw/zinc/64/41/21/767644121.db2.gz IVTIYGWYQILZPX-MOPGFXCFSA-N 1 2 341.455 0.883 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1COCCN1CC ZINC001054044981 767644125 /nfs/dbraw/zinc/64/41/25/767644125.db2.gz IVTIYGWYQILZPX-MOPGFXCFSA-N 1 2 341.455 0.883 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(C2(NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC001017144879 767648043 /nfs/dbraw/zinc/64/80/43/767648043.db2.gz BWMPCJDEXWOKLD-HIFRSBDPSA-N 1 2 348.447 0.364 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(C2(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC001017144879 767648048 /nfs/dbraw/zinc/64/80/48/767648048.db2.gz BWMPCJDEXWOKLD-HIFRSBDPSA-N 1 2 348.447 0.364 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@]2(C)C1 ZINC000992890802 767764787 /nfs/dbraw/zinc/76/47/87/767764787.db2.gz RJZIQOOEKHMEKF-HNAYVOBHSA-N 1 2 340.427 0.981 20 30 ECEDLO CN(CCOCCNc1cnc(C#N)cn1)C(=O)Cc1c[nH+]cn1C ZINC001127347872 768383399 /nfs/dbraw/zinc/38/33/99/768383399.db2.gz VKGDLARBAOTEBJ-UHFFFAOYSA-N 1 2 343.391 0.211 20 30 ECEDLO C=CCOCC(=O)NCC1(O)CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001042047296 782669603 /nfs/dbraw/zinc/66/96/03/782669603.db2.gz MIYPFUWRMMGKQO-UHFFFAOYSA-N 1 2 344.371 0.069 20 30 ECEDLO N#Cc1cnccc1N[C@@H]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]12 ZINC001060534834 768555964 /nfs/dbraw/zinc/55/59/64/768555964.db2.gz GNUUPTPFCKDQTG-FRFSOERESA-N 1 2 336.399 0.921 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CN(C(=O)CSCC#N)C[C@@H]2C1 ZINC001055180885 768636836 /nfs/dbraw/zinc/63/68/36/768636836.db2.gz XUSPNUSDHWAPLH-BETUJISGSA-N 1 2 347.444 0.136 20 30 ECEDLO C=CCOCC(=O)N1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001055248668 768706586 /nfs/dbraw/zinc/70/65/86/768706586.db2.gz XDVGDAGYNLKJPQ-OKILXGFUSA-N 1 2 332.404 0.462 20 30 ECEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001018121047 768757578 /nfs/dbraw/zinc/75/75/78/768757578.db2.gz COSXQMATBUMMQO-SOUVJXGZSA-N 1 2 331.420 0.789 20 30 ECEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001018121047 768757582 /nfs/dbraw/zinc/75/75/82/768757582.db2.gz COSXQMATBUMMQO-SOUVJXGZSA-N 1 2 331.420 0.789 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1 ZINC001055364288 768814878 /nfs/dbraw/zinc/81/48/78/768814878.db2.gz XIELDQPAVUNYMC-YUELXQCFSA-N 1 2 337.387 0.550 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N(CC)CCNc1[nH+]cnc2c1cnn2C ZINC001106744065 768816893 /nfs/dbraw/zinc/81/68/93/768816893.db2.gz DRPVYZFDUUUADM-MRXNPFEDSA-N 1 2 332.408 0.951 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000993349973 768836528 /nfs/dbraw/zinc/83/65/28/768836528.db2.gz PQROPVXICNQOAR-LBTNJELSSA-N 1 2 343.431 0.819 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3csnn3)C2)CC1 ZINC001018369584 769222546 /nfs/dbraw/zinc/22/25/46/769222546.db2.gz NEYJOMLMRFLVSL-CYBMUJFWSA-N 1 2 349.460 0.721 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3csnn3)C2)CC1 ZINC001018369585 769222675 /nfs/dbraw/zinc/22/26/75/769222675.db2.gz NEYJOMLMRFLVSL-ZDUSSCGKSA-N 1 2 349.460 0.721 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3c[nH]nc3C)C2)CC1 ZINC001018369516 769222893 /nfs/dbraw/zinc/22/28/93/769222893.db2.gz LQEGOEWTWZVWAM-HNNXBMFYSA-N 1 2 345.447 0.901 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)c2ncc[nH]2)C1 ZINC000993632878 769444094 /nfs/dbraw/zinc/44/40/94/769444094.db2.gz RJQNRALPSVIDAC-QJPTWQEYSA-N 1 2 341.375 0.027 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C(C)(C)F)C1 ZINC000993633208 769444798 /nfs/dbraw/zinc/44/47/98/769444798.db2.gz UCAULSFYZKXUKZ-IJLUTSLNSA-N 1 2 335.383 0.738 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3nc(=O)n(C)[nH]3)[C@H]2C)C1 ZINC000993789630 769571858 /nfs/dbraw/zinc/57/18/58/769571858.db2.gz MORKVASDBKNYME-STQMWFEESA-N 1 2 333.436 0.934 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3nc(=O)n(C)[nH]3)[C@H]2C)C1 ZINC000993789630 769571866 /nfs/dbraw/zinc/57/18/66/769571866.db2.gz MORKVASDBKNYME-STQMWFEESA-N 1 2 333.436 0.934 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](Cc3nc(=O)n(C)[nH]3)[C@H]2C)C1 ZINC000993789629 769572441 /nfs/dbraw/zinc/57/24/41/769572441.db2.gz MORKVASDBKNYME-QWHCGFSZSA-N 1 2 333.436 0.934 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3nc(=O)n(C)[nH]3)[C@H]2C)C1 ZINC000993789629 769572448 /nfs/dbraw/zinc/57/24/48/769572448.db2.gz MORKVASDBKNYME-QWHCGFSZSA-N 1 2 333.436 0.934 20 30 ECEDLO COCc1noc([C@H](C)[NH2+][C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001018681421 769753873 /nfs/dbraw/zinc/75/38/73/769753873.db2.gz CVOLVPVNNUNUAB-JQWIXIFHSA-N 1 2 344.375 0.981 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCN(c2nc(C)cc(C#N)n2)CC1 ZINC001055869917 770041753 /nfs/dbraw/zinc/04/17/53/770041753.db2.gz OOGFIMQBLPSWIU-UHFFFAOYSA-N 1 2 325.376 0.580 20 30 ECEDLO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCCO2)o1 ZINC001078382862 782817643 /nfs/dbraw/zinc/81/76/43/782817643.db2.gz RKDUGYWKAIZTSX-ZDUSSCGKSA-N 1 2 344.375 0.599 20 30 ECEDLO CC(C)C#CC(=O)N[C@@]1(CO)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001055933859 770273558 /nfs/dbraw/zinc/27/35/58/770273558.db2.gz WMOVSAFMAGLGQI-KRWDZBQOSA-N 1 2 332.404 0.081 20 30 ECEDLO O=C(C#CC1CC1)N[C@]1(CO)CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001055940906 770301606 /nfs/dbraw/zinc/30/16/06/770301606.db2.gz RFVAQAKLQKIWMH-GOSISDBHSA-N 1 2 344.415 0.156 20 30 ECEDLO C#Cc1ccccc1CC(=O)NC1C[NH+](C[C@H]2CCc3ncnn32)C1 ZINC001031314241 770447556 /nfs/dbraw/zinc/44/75/56/770447556.db2.gz ORZRZJUUTMXSHA-QGZVFWFLSA-N 1 2 335.411 0.790 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001055997611 770498120 /nfs/dbraw/zinc/49/81/20/770498120.db2.gz DGTKYQATWCPWAV-CRAIPNDOSA-N 1 2 348.447 0.955 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(c2ccc(C#N)nn2)CC1 ZINC001056046499 770664003 /nfs/dbraw/zinc/66/40/03/770664003.db2.gz RVXVHYZSUNIQCR-LBPRGKRZSA-N 1 2 325.376 0.599 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2ccc(C#N)nn2)CC1 ZINC001056046499 770664011 /nfs/dbraw/zinc/66/40/11/770664011.db2.gz RVXVHYZSUNIQCR-LBPRGKRZSA-N 1 2 325.376 0.599 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C#N)[nH]1 ZINC001056155269 770948047 /nfs/dbraw/zinc/94/80/47/770948047.db2.gz NOSIAGMCEYHOTL-IMRBUKKESA-N 1 2 348.370 0.428 20 30 ECEDLO C=CCCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001056328801 771133165 /nfs/dbraw/zinc/13/31/65/771133165.db2.gz NKTAQDLDEABVHJ-OAGGEKHMSA-N 1 2 335.448 0.875 20 30 ECEDLO C=CCCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001056328801 771133167 /nfs/dbraw/zinc/13/31/67/771133167.db2.gz NKTAQDLDEABVHJ-OAGGEKHMSA-N 1 2 335.448 0.875 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3nccnc3N)C2)s1 ZINC001031588563 771351518 /nfs/dbraw/zinc/35/15/18/771351518.db2.gz KXDMXNKVLQIJOK-UHFFFAOYSA-N 1 2 328.401 0.854 20 30 ECEDLO C[C@H]1CCCN(C(=O)C[NH+]2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001031603392 771391197 /nfs/dbraw/zinc/39/11/97/771391197.db2.gz NUBZFUUFSYTPET-ZDUSSCGKSA-N 1 2 343.431 0.806 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001056601895 771421200 /nfs/dbraw/zinc/42/12/00/771421200.db2.gz CVCFVCABXNDMHM-LLVKDONJSA-N 1 2 336.359 0.890 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001056628090 771446205 /nfs/dbraw/zinc/44/62/05/771446205.db2.gz DIVSPWAZUWNFGM-LSDHHAIUSA-N 1 2 332.404 0.535 20 30 ECEDLO N#Cc1nccc(N2CCCO[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001089549108 771456112 /nfs/dbraw/zinc/45/61/12/771456112.db2.gz RYGJKGQJEWWUSK-GFCCVEGCSA-N 1 2 341.375 0.026 20 30 ECEDLO N#Cc1cncc(N2CCCO[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001089549695 771458483 /nfs/dbraw/zinc/45/84/83/771458483.db2.gz YEATUOZVNMYWJW-ZDUSSCGKSA-N 1 2 341.375 0.026 20 30 ECEDLO N#Cc1cc(C(=O)NCC2C[NH+](CC(=O)NC3CCCCC3)C2)c[nH]1 ZINC001031620735 771477484 /nfs/dbraw/zinc/47/74/84/771477484.db2.gz BMXDISQRJSNVMD-UHFFFAOYSA-N 1 2 343.431 0.997 20 30 ECEDLO N#Cc1nccc(N[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)n1 ZINC001056725687 771560480 /nfs/dbraw/zinc/56/04/80/771560480.db2.gz APPNAGWSPZQUIV-QWHCGFSZSA-N 1 2 337.387 0.242 20 30 ECEDLO Cn1oc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)cc1=O ZINC001031636524 771560550 /nfs/dbraw/zinc/56/05/50/771560550.db2.gz DARJDMLLIOOGQG-UHFFFAOYSA-N 1 2 343.358 0.831 20 30 ECEDLO Cn1oc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)cc1=O ZINC001031636988 771566083 /nfs/dbraw/zinc/56/60/83/771566083.db2.gz RCCLYDKLDNQSST-UHFFFAOYSA-N 1 2 326.356 0.712 20 30 ECEDLO CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001056906164 771790964 /nfs/dbraw/zinc/79/09/64/771790964.db2.gz BCXSTIUNXSNWSA-ZDUSSCGKSA-N 1 2 325.376 0.741 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCCN(c2ccc(C#N)nn2)CC1 ZINC001057163040 772197786 /nfs/dbraw/zinc/19/77/86/772197786.db2.gz ZQTGBCBYKNMORY-UHFFFAOYSA-N 1 2 325.376 0.661 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC001020297884 772413384 /nfs/dbraw/zinc/41/33/84/772413384.db2.gz DBWHDOJQCWMZQR-FZKCQIBNSA-N 1 2 346.431 0.970 20 30 ECEDLO Cc1cc(C#N)nc(N[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC001057660179 772877898 /nfs/dbraw/zinc/87/78/98/772877898.db2.gz KLSHHCXWBPSUNO-ZDUSSCGKSA-N 1 2 325.376 0.956 20 30 ECEDLO N#Cc1nccc(N[C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)n1 ZINC001057771607 772972257 /nfs/dbraw/zinc/97/22/57/772972257.db2.gz JYWSXLGHOBKWPR-ZDUSSCGKSA-N 1 2 325.376 0.529 20 30 ECEDLO N#Cc1nccc(N[C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)n1 ZINC001057771607 772972261 /nfs/dbraw/zinc/97/22/61/772972261.db2.gz JYWSXLGHOBKWPR-ZDUSSCGKSA-N 1 2 325.376 0.529 20 30 ECEDLO CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001057946934 773250060 /nfs/dbraw/zinc/25/00/60/773250060.db2.gz MTFABGOPJGMNCM-OAHLLOKOSA-N 1 2 346.431 0.042 20 30 ECEDLO C=CCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001057947378 773252727 /nfs/dbraw/zinc/25/27/27/773252727.db2.gz XGPCDZONHGMAJC-CQSZACIVSA-N 1 2 334.420 0.349 20 30 ECEDLO CC#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040604827 783088379 /nfs/dbraw/zinc/08/83/79/783088379.db2.gz FELDXOVLNFTTHG-KRWDZBQOSA-N 1 2 332.404 0.225 20 30 ECEDLO CC#CCCCC(=O)NC[C@]1(O)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001040609721 783098179 /nfs/dbraw/zinc/09/81/79/783098179.db2.gz QJLUUBXJUMPPDE-GOSISDBHSA-N 1 2 346.431 0.616 20 30 ECEDLO CC#CCCCC(=O)NC[C@]1(O)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001040609721 783098187 /nfs/dbraw/zinc/09/81/87/783098187.db2.gz QJLUUBXJUMPPDE-GOSISDBHSA-N 1 2 346.431 0.616 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001040610728 783098700 /nfs/dbraw/zinc/09/87/00/783098700.db2.gz LQKVHQQLBXJQAV-DZGCQCFKSA-N 1 2 336.399 0.814 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NCCN(CCO)C(=O)Cc1c[nH+]cn1C ZINC001058158387 773661417 /nfs/dbraw/zinc/66/14/17/773661417.db2.gz XLVUMEFSEBESAF-QGZVFWFLSA-N 1 2 336.436 0.502 20 30 ECEDLO CC#CCCCC(=O)NCCN(CCO)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001058160608 773666073 /nfs/dbraw/zinc/66/60/73/773666073.db2.gz CDOTXWZUDBCDBZ-UHFFFAOYSA-N 1 2 348.447 0.818 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001040625393 783129202 /nfs/dbraw/zinc/12/92/02/783129202.db2.gz MZLZUDJVXXKULC-FZKQIMNGSA-N 1 2 348.447 0.943 20 30 ECEDLO C=C[C@H](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001040629832 783134983 /nfs/dbraw/zinc/13/49/83/783134983.db2.gz NPYJFUGDRQKDJV-QAPCUYQASA-N 1 2 348.447 0.955 20 30 ECEDLO C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CN1c1ccnc(C#N)n1 ZINC001039817873 783145613 /nfs/dbraw/zinc/14/56/13/783145613.db2.gz IYVZVQBTIMPJHY-NEPJUHHUSA-N 1 2 325.376 0.788 20 30 ECEDLO C=CC(C)(C)CC(=O)NC[C@@]1(O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001039818573 783147308 /nfs/dbraw/zinc/14/73/08/783147308.db2.gz HBDVCZCVLXRTSS-KRWDZBQOSA-N 1 2 334.420 0.565 20 30 ECEDLO N#Cc1nccc(N2CC[C@@H](NC(=O)[C@H]3CCn4cc[nH+]c4C3)C2)n1 ZINC001058481054 774271393 /nfs/dbraw/zinc/27/13/93/774271393.db2.gz HZKCPJGUPUNHME-QWHCGFSZSA-N 1 2 337.387 0.502 20 30 ECEDLO C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001039830430 783167935 /nfs/dbraw/zinc/16/79/35/783167935.db2.gz GYJXLMUWMOICCN-GUYCJALGSA-N 1 2 334.420 0.634 20 30 ECEDLO C=CCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001039830430 783167945 /nfs/dbraw/zinc/16/79/45/783167945.db2.gz GYJXLMUWMOICCN-GUYCJALGSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001044984481 774799332 /nfs/dbraw/zinc/79/93/32/774799332.db2.gz BRBZCPQZPFPFCG-OLZOCXBDSA-N 1 2 334.420 0.490 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001044984481 774799338 /nfs/dbraw/zinc/79/93/38/774799338.db2.gz BRBZCPQZPFPFCG-OLZOCXBDSA-N 1 2 334.420 0.490 20 30 ECEDLO CC#CCCCC(=O)NCC1(O)CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001044993858 774809753 /nfs/dbraw/zinc/80/97/53/774809753.db2.gz DTTWERZOBPTAKE-UHFFFAOYSA-N 1 2 346.431 0.236 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001045059713 774912735 /nfs/dbraw/zinc/91/27/35/774912735.db2.gz VXBKGPBRMUFQRH-ZIAGYGMSSA-N 1 2 348.447 0.880 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001045059713 774912737 /nfs/dbraw/zinc/91/27/37/774912737.db2.gz VXBKGPBRMUFQRH-ZIAGYGMSSA-N 1 2 348.447 0.880 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CN(c3ccnc(C#N)n3)C[C@H]21 ZINC001040674096 783230520 /nfs/dbraw/zinc/23/05/20/783230520.db2.gz QJDPLCWUGWLPLZ-GXTWGEPZSA-N 1 2 337.387 0.362 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001043858205 775116427 /nfs/dbraw/zinc/11/64/27/775116427.db2.gz DCXGLDREDBPMGX-UHFFFAOYSA-N 1 2 342.399 0.850 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001044010901 775505533 /nfs/dbraw/zinc/50/55/33/775505533.db2.gz FYUAHKMTXNBIKY-OLZOCXBDSA-N 1 2 334.420 0.110 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001044011264 775508010 /nfs/dbraw/zinc/50/80/10/775508010.db2.gz MQCXKKLEPIRTKC-ZDUSSCGKSA-N 1 2 334.420 0.254 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(c2ncc(C#N)cc2F)C[C@@H]1O ZINC001044100446 775699006 /nfs/dbraw/zinc/69/90/06/775699006.db2.gz FHDSVZIKMKDKEB-KGLIPLIRSA-N 1 2 344.350 0.032 20 30 ECEDLO Cc1nsc(N2C[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)[C@@H](O)C2)c1C#N ZINC001044101404 775700032 /nfs/dbraw/zinc/70/00/32/775700032.db2.gz XQKQPKGAXHIUBI-OLZOCXBDSA-N 1 2 346.416 0.263 20 30 ECEDLO Cc1c[nH+]c2cc(C(=O)N3CC(O)(CNC(=O)[C@H](C)C#N)C3)ccn12 ZINC001045546016 775770655 /nfs/dbraw/zinc/77/06/55/775770655.db2.gz GPNXCXLUBMYRLC-LLVKDONJSA-N 1 2 341.371 0.106 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(C)C)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001070031644 790392655 /nfs/dbraw/zinc/39/26/55/790392655.db2.gz KEYPFBWVQTZYQV-CVEARBPZSA-N 1 2 341.419 0.803 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C(C)C)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001070031644 790392670 /nfs/dbraw/zinc/39/26/70/790392670.db2.gz KEYPFBWVQTZYQV-CVEARBPZSA-N 1 2 341.419 0.803 20 30 ECEDLO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001044470662 776331417 /nfs/dbraw/zinc/33/14/17/776331417.db2.gz RPYQXMHPRMXAMW-GFCCVEGCSA-N 1 2 346.431 0.731 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2ccsc2C)[C@@H](n2ccnn2)C1 ZINC001070046962 790442764 /nfs/dbraw/zinc/44/27/64/790442764.db2.gz YNLGVNGLUFBWGG-CABCVRRESA-N 1 2 329.429 0.865 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2ccsc2C)[C@@H](n2ccnn2)C1 ZINC001070046962 790442759 /nfs/dbraw/zinc/44/27/59/790442759.db2.gz YNLGVNGLUFBWGG-CABCVRRESA-N 1 2 329.429 0.865 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070046741 790442113 /nfs/dbraw/zinc/44/21/13/790442113.db2.gz MAODOWWTXWKEFH-KFWWJZLASA-N 1 2 346.435 0.064 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070046741 790442118 /nfs/dbraw/zinc/44/21/18/790442118.db2.gz MAODOWWTXWKEFH-KFWWJZLASA-N 1 2 346.435 0.064 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC#CC)C[C@@H]1n1ccnn1 ZINC001070051641 790456808 /nfs/dbraw/zinc/45/68/08/790456808.db2.gz HXCBVBAKQCOVRZ-YVSFHVDLSA-N 1 2 343.431 0.624 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC#CC)C[C@@H]1n1ccnn1 ZINC001070051641 790456815 /nfs/dbraw/zinc/45/68/15/790456815.db2.gz HXCBVBAKQCOVRZ-YVSFHVDLSA-N 1 2 343.431 0.624 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001079642444 776587976 /nfs/dbraw/zinc/58/79/76/776587976.db2.gz AERHGSCKWKFUGC-QNSHHTMESA-N 1 2 332.198 0.440 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001079642444 776587983 /nfs/dbraw/zinc/58/79/83/776587983.db2.gz AERHGSCKWKFUGC-QNSHHTMESA-N 1 2 332.198 0.440 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnn3ccccc23)[C@@H](n2ccnn2)C1 ZINC001070055841 790467823 /nfs/dbraw/zinc/46/78/23/790467823.db2.gz SMUDHLTVTPPGRW-ZBFHGGJFSA-N 1 2 335.371 0.214 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn3ccccc23)[C@@H](n2ccnn2)C1 ZINC001070055841 790467831 /nfs/dbraw/zinc/46/78/31/790467831.db2.gz SMUDHLTVTPPGRW-ZBFHGGJFSA-N 1 2 335.371 0.214 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1C ZINC001079720072 776761539 /nfs/dbraw/zinc/76/15/39/776761539.db2.gz SVMAHHVDDCFVHX-MIGQKNRLSA-N 1 2 333.436 0.733 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1C ZINC001079720072 776761546 /nfs/dbraw/zinc/76/15/46/776761546.db2.gz SVMAHHVDDCFVHX-MIGQKNRLSA-N 1 2 333.436 0.733 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2oc(CC)nc2C)[C@@H](n2ccnn2)C1 ZINC001070070674 790503531 /nfs/dbraw/zinc/50/35/31/790503531.db2.gz NXMJZWNTYVCLMO-OLZOCXBDSA-N 1 2 330.392 0.978 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2oc(CC)nc2C)[C@@H](n2ccnn2)C1 ZINC001070070674 790503538 /nfs/dbraw/zinc/50/35/38/790503538.db2.gz NXMJZWNTYVCLMO-OLZOCXBDSA-N 1 2 330.392 0.978 20 30 ECEDLO C=CCCC(=O)NC[C@H]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)O1 ZINC001068538083 790511860 /nfs/dbraw/zinc/51/18/60/790511860.db2.gz TZOCGHALFWBTPA-CQSZACIVSA-N 1 2 332.404 0.795 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001079982367 777189669 /nfs/dbraw/zinc/18/96/69/777189669.db2.gz DBPKATYYQDQHRW-ZDUSSCGKSA-N 1 2 334.420 0.993 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001079982367 777189673 /nfs/dbraw/zinc/18/96/73/777189673.db2.gz DBPKATYYQDQHRW-ZDUSSCGKSA-N 1 2 334.420 0.993 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H](CC)CCC)C1 ZINC001043648548 778663745 /nfs/dbraw/zinc/66/37/45/778663745.db2.gz GHHCYXALEMDIAP-HOTGVXAUSA-N 1 2 349.475 0.600 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H](CC)CCC)C1 ZINC001043648548 778663749 /nfs/dbraw/zinc/66/37/49/778663749.db2.gz GHHCYXALEMDIAP-HOTGVXAUSA-N 1 2 349.475 0.600 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C[C@H](C)CCC)C1 ZINC001043649131 778665377 /nfs/dbraw/zinc/66/53/77/778665377.db2.gz MAAPCBXHUIPBEO-CVEARBPZSA-N 1 2 349.475 0.600 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C[C@H](C)CCC)C1 ZINC001043649131 778665383 /nfs/dbraw/zinc/66/53/83/778665383.db2.gz MAAPCBXHUIPBEO-CVEARBPZSA-N 1 2 349.475 0.600 20 30 ECEDLO C=CCCCC(=O)N1CC(O)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001043668575 778689952 /nfs/dbraw/zinc/68/99/52/778689952.db2.gz ARVLHQGJTFCXLY-UHFFFAOYSA-N 1 2 348.447 0.972 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC2(C1)CC[C@H](CNC(=O)Cn1cc[nH+]c1)O2 ZINC001068588608 790644299 /nfs/dbraw/zinc/64/42/99/790644299.db2.gz BYUGFXXTODCBES-CQSZACIVSA-N 1 2 346.431 0.972 20 30 ECEDLO C#CCCCC(=O)N1CC2(C1)CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)O2 ZINC001068640971 790776004 /nfs/dbraw/zinc/77/60/04/790776004.db2.gz QOCTWBMVGHUMRF-OAHLLOKOSA-N 1 2 344.415 0.632 20 30 ECEDLO C=CCOCC(=O)N(C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001078880242 780577683 /nfs/dbraw/zinc/57/76/83/780577683.db2.gz LWQAFOLWFQNWTI-HNNXBMFYSA-N 1 2 334.420 0.925 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001078962728 780657999 /nfs/dbraw/zinc/65/79/99/780657999.db2.gz WHWPBLGXMOJENS-HOCLYGCPSA-N 1 2 346.431 0.830 20 30 ECEDLO O=C(C#CC1CC1)NCC1(O)CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001042964347 781108535 /nfs/dbraw/zinc/10/85/35/781108535.db2.gz DHAJCWGPMROMHJ-UHFFFAOYSA-N 1 2 338.367 0.279 20 30 ECEDLO C=CCCCC(=O)N1CC(O)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001043077875 781285622 /nfs/dbraw/zinc/28/56/22/781285622.db2.gz SDDMRWRKIQHHLX-AWEZNQCLSA-N 1 2 334.420 0.880 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3cn(C)nc3C)C[C@H]2O)c1 ZINC001077647987 781421033 /nfs/dbraw/zinc/42/10/33/781421033.db2.gz WTEBONKIDUKGRM-IAGOWNOFSA-N 1 2 339.399 0.080 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3cn(C)nc3C)C[C@H]2O)c1 ZINC001077647987 781421040 /nfs/dbraw/zinc/42/10/40/781421040.db2.gz WTEBONKIDUKGRM-IAGOWNOFSA-N 1 2 339.399 0.080 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)ncn2)C[C@H]1O ZINC001077699183 781539930 /nfs/dbraw/zinc/53/99/30/781539930.db2.gz WLZXHGGUHONVRP-FPCVCCKLSA-N 1 2 332.404 0.037 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@H]1O ZINC001077699183 781539939 /nfs/dbraw/zinc/53/99/39/781539939.db2.gz WLZXHGGUHONVRP-FPCVCCKLSA-N 1 2 332.404 0.037 20 30 ECEDLO N#Cc1ccc(NC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CCCO2)nn1 ZINC001041509922 781666998 /nfs/dbraw/zinc/66/69/98/781666998.db2.gz FVDDVLIGIVJYKO-ZDUSSCGKSA-N 1 2 341.375 0.343 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@@H](F)CC)C[C@H]2O)nn1 ZINC001077812548 781740347 /nfs/dbraw/zinc/74/03/47/781740347.db2.gz JYIGVRMJJKPNDM-OUCADQQQSA-N 1 2 325.388 0.377 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](F)CC)C[C@H]2O)nn1 ZINC001077812548 781740352 /nfs/dbraw/zinc/74/03/52/781740352.db2.gz JYIGVRMJJKPNDM-OUCADQQQSA-N 1 2 325.388 0.377 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CN(c3ccnc(C#N)n3)C[C@H]21 ZINC001040680225 783243183 /nfs/dbraw/zinc/24/31/83/783243183.db2.gz MCERNUYNCLNJGS-GXTWGEPZSA-N 1 2 337.387 0.660 20 30 ECEDLO C=CCCC1(C(=O)N2CC[C@@](O)(CNC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001040693466 783277459 /nfs/dbraw/zinc/27/74/59/783277459.db2.gz DJYRHXVQXXIBRQ-GOSISDBHSA-N 1 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C=CC(C)(C)C(=O)N1C[C@@H]([NH2+]Cc2cnns2)[C@@H](n2ccnn2)C1 ZINC001070250834 783741228 /nfs/dbraw/zinc/74/12/28/783741228.db2.gz VPQOXZABVHQCOU-OLZOCXBDSA-N 1 2 347.448 0.884 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)c2ccnc(F)c2)C1=O ZINC001038091815 783841696 /nfs/dbraw/zinc/84/16/96/783841696.db2.gz IICQFMKOZUBDCM-KBPBESRZSA-N 1 2 332.379 0.812 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)c2ccnc(F)c2)C1=O ZINC001038091815 783841703 /nfs/dbraw/zinc/84/17/03/783841703.db2.gz IICQFMKOZUBDCM-KBPBESRZSA-N 1 2 332.379 0.812 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)c2cnn(CC)c2)C1=O ZINC001038125986 783887434 /nfs/dbraw/zinc/88/74/34/783887434.db2.gz IASKCZBSTWSZFY-GJZGRUSLSA-N 1 2 331.420 0.494 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)c2cnn(CC)c2)C1=O ZINC001038125986 783887437 /nfs/dbraw/zinc/88/74/37/783887437.db2.gz IASKCZBSTWSZFY-GJZGRUSLSA-N 1 2 331.420 0.494 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CC[N@@H+]2[C@H]2CCN(C3CCC3)C2=O)c[nH]1 ZINC001038174872 783950995 /nfs/dbraw/zinc/95/09/95/783950995.db2.gz KFLPICWJXDCMHS-CVEARBPZSA-N 1 2 341.415 0.844 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CC[N@H+]2[C@H]2CCN(C3CCC3)C2=O)c[nH]1 ZINC001038174872 783951002 /nfs/dbraw/zinc/95/10/02/783951002.db2.gz KFLPICWJXDCMHS-CVEARBPZSA-N 1 2 341.415 0.844 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)c2ccc(F)cn2)C1=O ZINC001038184946 783966767 /nfs/dbraw/zinc/96/67/67/783966767.db2.gz WNQAWXDDTUOCOG-DZGCQCFKSA-N 1 2 332.379 0.812 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)c2ccc(F)cn2)C1=O ZINC001038184946 783966778 /nfs/dbraw/zinc/96/67/78/783966778.db2.gz WNQAWXDDTUOCOG-DZGCQCFKSA-N 1 2 332.379 0.812 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cn[nH]n2)C1 ZINC001070416377 784018813 /nfs/dbraw/zinc/01/88/13/784018813.db2.gz KWXRZPNEAFLUSI-SNVBAGLBSA-N 1 2 335.799 1.000 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)c2cn[nH]n2)C1 ZINC001070416377 784018822 /nfs/dbraw/zinc/01/88/22/784018822.db2.gz KWXRZPNEAFLUSI-SNVBAGLBSA-N 1 2 335.799 1.000 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)c2ccncc2C)C1=O ZINC001038232973 784033844 /nfs/dbraw/zinc/03/38/44/784033844.db2.gz ARXUHWSSOYZITE-GOEBONIOSA-N 1 2 328.416 0.981 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)c2ccncc2C)C1=O ZINC001038232973 784033848 /nfs/dbraw/zinc/03/38/48/784033848.db2.gz ARXUHWSSOYZITE-GOEBONIOSA-N 1 2 328.416 0.981 20 30 ECEDLO CC#CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCO1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070440317 784076694 /nfs/dbraw/zinc/07/66/94/784076694.db2.gz DNPOWASTDLSHJV-HUUCEWRRSA-N 1 2 343.431 0.543 20 30 ECEDLO CC#CC[NH+]1CC2(C1)CN(C(=O)[C@H](C)OC)C[C@@H]2c1nnc(C)[nH]1 ZINC001070441245 784080564 /nfs/dbraw/zinc/08/05/64/784080564.db2.gz RKWLRPGFMGIGJC-GXTWGEPZSA-N 1 2 331.420 0.399 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001070903588 784084282 /nfs/dbraw/zinc/08/42/82/784084282.db2.gz GASVVBDKUBMPMK-ZIAGYGMSSA-N 1 2 334.420 0.661 20 30 ECEDLO CC#CC[NH+]1CC2(C1)CN(C(=O)[C@H](CC)OC)C[C@H]2c1nnc(C)[nH]1 ZINC001070442636 784085694 /nfs/dbraw/zinc/08/56/94/784085694.db2.gz LFUMYJSYUQQNEM-GJZGRUSLSA-N 1 2 345.447 0.789 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCCO1)C[C@H]2c1nnc(C)[nH]1 ZINC001070444415 784094022 /nfs/dbraw/zinc/09/40/22/784094022.db2.gz PPPJGCZMBOXOAY-LSDHHAIUSA-N 1 2 343.431 0.543 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC001070452205 784115901 /nfs/dbraw/zinc/11/59/01/784115901.db2.gz BQFWHSPCFSLIGV-CYBMUJFWSA-N 1 2 349.460 0.717 20 30 ECEDLO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2snnc2C)CC1 ZINC001070937778 784163693 /nfs/dbraw/zinc/16/36/93/784163693.db2.gz WJIPEZCFRYFPIV-UHFFFAOYSA-N 1 2 337.449 0.687 20 30 ECEDLO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2snnc2C)CC1 ZINC001070937778 784163694 /nfs/dbraw/zinc/16/36/94/784163694.db2.gz WJIPEZCFRYFPIV-UHFFFAOYSA-N 1 2 337.449 0.687 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)n2cccn2)CC1 ZINC001070940537 784172061 /nfs/dbraw/zinc/17/20/61/784172061.db2.gz KZVYTBMOMRRJCS-OAHLLOKOSA-N 1 2 333.436 0.671 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)n2cccn2)CC1 ZINC001070940537 784172065 /nfs/dbraw/zinc/17/20/65/784172065.db2.gz KZVYTBMOMRRJCS-OAHLLOKOSA-N 1 2 333.436 0.671 20 30 ECEDLO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1c1cn(C)cn1 ZINC001070520933 784223583 /nfs/dbraw/zinc/22/35/83/784223583.db2.gz NTJKZQQVUVZNMQ-WCQYABFASA-N 1 2 349.826 0.797 20 30 ECEDLO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ncccc2O)CC1 ZINC001070958853 784229766 /nfs/dbraw/zinc/22/97/66/784229766.db2.gz WJWITSVNYIAOCS-UHFFFAOYSA-N 1 2 332.404 0.627 20 30 ECEDLO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ncccc2O)CC1 ZINC001070958853 784229770 /nfs/dbraw/zinc/22/97/70/784229770.db2.gz WJWITSVNYIAOCS-UHFFFAOYSA-N 1 2 332.404 0.627 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc3c([nH]2)CCOC3)CC1 ZINC001070969629 784266801 /nfs/dbraw/zinc/26/68/01/784266801.db2.gz ZKMFTCQLUMPADJ-UHFFFAOYSA-N 1 2 346.431 0.538 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)c2cc3c([nH]2)CCOC3)CC1 ZINC001070969629 784266805 /nfs/dbraw/zinc/26/68/05/784266805.db2.gz ZKMFTCQLUMPADJ-UHFFFAOYSA-N 1 2 346.431 0.538 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(C)cc(C)n2)CC1 ZINC001070976871 784294083 /nfs/dbraw/zinc/29/40/83/784294083.db2.gz SPTFMRRICRLIJZ-UHFFFAOYSA-N 1 2 342.443 0.986 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C)cc(C)n2)CC1 ZINC001070976871 784294092 /nfs/dbraw/zinc/29/40/92/784294092.db2.gz SPTFMRRICRLIJZ-UHFFFAOYSA-N 1 2 342.443 0.986 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(OC)ccn2)CC1 ZINC001070985701 784325915 /nfs/dbraw/zinc/32/59/15/784325915.db2.gz SLTROWZBTIXLCI-UHFFFAOYSA-N 1 2 346.431 0.930 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2cc(OC)ccn2)CC1 ZINC001070985701 784325923 /nfs/dbraw/zinc/32/59/23/784325923.db2.gz SLTROWZBTIXLCI-UHFFFAOYSA-N 1 2 346.431 0.930 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCCc3nn[nH]c32)CC1 ZINC001070991501 784341433 /nfs/dbraw/zinc/34/14/33/784341433.db2.gz VSWNLFNKECYKRK-ZDUSSCGKSA-N 1 2 346.435 0.061 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCCc3nn[nH]c32)CC1 ZINC001070991501 784341438 /nfs/dbraw/zinc/34/14/38/784341438.db2.gz VSWNLFNKECYKRK-ZDUSSCGKSA-N 1 2 346.435 0.061 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2[nH]c(C)nc2C)CC1 ZINC001071000346 784372646 /nfs/dbraw/zinc/37/26/46/784372646.db2.gz YSHZLDYSOCKLFG-UHFFFAOYSA-N 1 2 333.436 0.867 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2[nH]c(C)nc2C)CC1 ZINC001071000346 784372652 /nfs/dbraw/zinc/37/26/52/784372652.db2.gz YSHZLDYSOCKLFG-UHFFFAOYSA-N 1 2 333.436 0.867 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[C@]23CCOC3)CC1 ZINC001071014185 784415394 /nfs/dbraw/zinc/41/53/94/784415394.db2.gz CQBUNFCLUVKSCI-QAPCUYQASA-N 1 2 335.448 0.640 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[C@]23CCOC3)CC1 ZINC001071014185 784415399 /nfs/dbraw/zinc/41/53/99/784415399.db2.gz CQBUNFCLUVKSCI-QAPCUYQASA-N 1 2 335.448 0.640 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC(=O)NCC[N@@H+](CC(=C)C)CC2)nc1 ZINC001071015869 784423555 /nfs/dbraw/zinc/42/35/55/784423555.db2.gz XSIISROHEWOSPT-UHFFFAOYSA-N 1 2 340.427 0.903 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC(=O)NCC[N@H+](CC(=C)C)CC2)nc1 ZINC001071015869 784423565 /nfs/dbraw/zinc/42/35/65/784423565.db2.gz XSIISROHEWOSPT-UHFFFAOYSA-N 1 2 340.427 0.903 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001071016974 784427455 /nfs/dbraw/zinc/42/74/55/784427455.db2.gz ZTEQNYVASBBVBK-CQSZACIVSA-N 1 2 346.431 0.834 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001071033808 784463973 /nfs/dbraw/zinc/46/39/73/784463973.db2.gz VAQBDAGLFZDKEO-LSDHHAIUSA-N 1 2 334.420 0.972 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)Cc2cncs2)C[C@H]1NCC#N ZINC001070657758 784510896 /nfs/dbraw/zinc/51/08/96/784510896.db2.gz JHZICGMMXPCQDY-CHWSQXEVSA-N 1 2 330.417 0.527 20 30 ECEDLO COCc1ccc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)o1 ZINC001070666910 784523295 /nfs/dbraw/zinc/52/32/95/784523295.db2.gz FWSUFOQLLLRTEJ-ZIAGYGMSSA-N 1 2 343.387 0.881 20 30 ECEDLO COc1ncccc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070684401 784548250 /nfs/dbraw/zinc/54/82/50/784548250.db2.gz FIJYMZRHNDENBS-ZIAGYGMSSA-N 1 2 340.387 0.545 20 30 ECEDLO Cc1ncccc1CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070689689 784556126 /nfs/dbraw/zinc/55/61/26/784556126.db2.gz KCNMDTPKNKMZFG-HZPDHXFCSA-N 1 2 338.415 0.774 20 30 ECEDLO CCc1oncc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070696318 784564008 /nfs/dbraw/zinc/56/40/08/784564008.db2.gz MTBHOLZZEYVBHQ-CHWSQXEVSA-N 1 2 328.376 0.692 20 30 ECEDLO CCc1cc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)n(C)n1 ZINC001070705517 784572418 /nfs/dbraw/zinc/57/24/18/784572418.db2.gz ZTNKUNUVPRSKBN-ZIAGYGMSSA-N 1 2 341.419 0.437 20 30 ECEDLO CC(C)n1cc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)nn1 ZINC001070706555 784573530 /nfs/dbraw/zinc/57/35/30/784573530.db2.gz YHXLFSCMIKDZSC-CHWSQXEVSA-N 1 2 342.407 0.314 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001070728086 784607294 /nfs/dbraw/zinc/60/72/94/784607294.db2.gz GJDQUORIIQYZNF-JKSUJKDBSA-N 1 2 346.431 0.809 20 30 ECEDLO C#CCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001070728723 784609247 /nfs/dbraw/zinc/60/92/47/784609247.db2.gz DQAYXHDPYBAIRR-RWMBFGLXSA-N 1 2 334.399 0.233 20 30 ECEDLO C#CCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001070728723 784609252 /nfs/dbraw/zinc/60/92/52/784609252.db2.gz DQAYXHDPYBAIRR-RWMBFGLXSA-N 1 2 334.399 0.233 20 30 ECEDLO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1nc[nH]n1)C[C@@H](C)O2 ZINC001071151408 784610974 /nfs/dbraw/zinc/61/09/74/784610974.db2.gz HSYKVWOZMCNTGP-PBHICJAKSA-N 1 2 331.420 0.452 20 30 ECEDLO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCc1nc[nH]n1)C[C@@H](C)O2 ZINC001071151408 784610981 /nfs/dbraw/zinc/61/09/81/784610981.db2.gz HSYKVWOZMCNTGP-PBHICJAKSA-N 1 2 331.420 0.452 20 30 ECEDLO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(=O)c(OC)c[nH]1)C[C@@H](C)O2 ZINC001071191810 784702585 /nfs/dbraw/zinc/70/25/85/784702585.db2.gz JQZSWZXLYAFKDK-FZKQIMNGSA-N 1 2 345.399 0.322 20 30 ECEDLO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(=O)c(OC)c[nH]1)C[C@@H](C)O2 ZINC001071191810 784702592 /nfs/dbraw/zinc/70/25/92/784702592.db2.gz JQZSWZXLYAFKDK-FZKQIMNGSA-N 1 2 345.399 0.322 20 30 ECEDLO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(=O)c(OC)co1)C[C@@H](C)O2 ZINC001071192695 784704947 /nfs/dbraw/zinc/70/49/47/784704947.db2.gz PXXJYJGJQJUHDP-FZKQIMNGSA-N 1 2 346.383 0.587 20 30 ECEDLO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(=O)c(OC)co1)C[C@@H](C)O2 ZINC001071192695 784704955 /nfs/dbraw/zinc/70/49/55/784704955.db2.gz PXXJYJGJQJUHDP-FZKQIMNGSA-N 1 2 346.383 0.587 20 30 ECEDLO C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@]2(CCN(CC#N)C2)O1 ZINC001071226089 784784225 /nfs/dbraw/zinc/78/42/25/784784225.db2.gz UYHZKUGOZMOEMK-GUYCJALGSA-N 1 2 331.420 0.903 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3cnns3)C2)C(=O)C1 ZINC001071255139 784849684 /nfs/dbraw/zinc/84/96/84/784849684.db2.gz GRHZBYQXQUFTDV-CYBMUJFWSA-N 1 2 347.444 0.310 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3cnns3)C2)C(=O)C1 ZINC001071255139 784849687 /nfs/dbraw/zinc/84/96/87/784849687.db2.gz GRHZBYQXQUFTDV-CYBMUJFWSA-N 1 2 347.444 0.310 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCC[C@H](N3CC[N@@H+](C[C@H](C)O)CC3=O)C2)C1 ZINC001071273914 784911160 /nfs/dbraw/zinc/91/11/60/784911160.db2.gz KNRDWJOJDPHIAM-HOTGVXAUSA-N 1 2 349.475 0.859 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCC[C@H](N3CC[N@H+](C[C@H](C)O)CC3=O)C2)C1 ZINC001071273914 784911162 /nfs/dbraw/zinc/91/11/62/784911162.db2.gz KNRDWJOJDPHIAM-HOTGVXAUSA-N 1 2 349.475 0.859 20 30 ECEDLO C=CCOCC(=O)N1C[C@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](C)C1 ZINC001071804720 785129940 /nfs/dbraw/zinc/12/99/40/785129940.db2.gz GLWBVHKJPNRTRA-GJZGRUSLSA-N 1 2 334.420 0.829 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001071662255 785475605 /nfs/dbraw/zinc/47/56/05/785475605.db2.gz TWPDNRATULBQOO-CHWSQXEVSA-N 1 2 349.460 0.573 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CN2C(=O)CCC2=O)CC[C@H]1C ZINC001072058730 785592907 /nfs/dbraw/zinc/59/29/07/785592907.db2.gz QQIPOUKZNOCMHQ-VXGBXAGGSA-N 1 2 327.812 0.857 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CN2C(=O)CCC2=O)CC[C@H]1C ZINC001072058730 785592913 /nfs/dbraw/zinc/59/29/13/785592913.db2.gz QQIPOUKZNOCMHQ-VXGBXAGGSA-N 1 2 327.812 0.857 20 30 ECEDLO C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC001072059936 785596175 /nfs/dbraw/zinc/59/61/75/785596175.db2.gz JDVIGDYBFDSCHS-HIFRSBDPSA-N 1 2 330.432 0.975 20 30 ECEDLO C=CCCOCC(=O)N1C[C@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001072332811 786039085 /nfs/dbraw/zinc/03/90/85/786039085.db2.gz FRZGRYVEVAAECW-UONOGXRCSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCCOCC(=O)N1C[C@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](C)C1 ZINC001072337838 786043082 /nfs/dbraw/zinc/04/30/82/786043082.db2.gz XLJMKUOKZRAQOG-GJZGRUSLSA-N 1 2 348.447 0.909 20 30 ECEDLO C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1NC(=O)CSCC#N ZINC001072373495 786099253 /nfs/dbraw/zinc/09/92/53/786099253.db2.gz WTWRYLXAQUVLPA-UONOGXRCSA-N 1 2 349.460 0.883 20 30 ECEDLO C=CCCOCC(=O)N[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001072512581 786306381 /nfs/dbraw/zinc/30/63/81/786306381.db2.gz HYDVXMCHSZLHCZ-ZBFHGGJFSA-N 1 2 348.447 0.909 20 30 ECEDLO Cc1cc(NC(=O)C[N@H+]2CCC3(CN(C(=O)[C@H](C)C#N)C3)C2)n(C)n1 ZINC001072544466 786349187 /nfs/dbraw/zinc/34/91/87/786349187.db2.gz NJCULKQBFYCFBM-GFCCVEGCSA-N 1 2 344.419 0.361 20 30 ECEDLO Cc1cc(NC(=O)C[N@@H+]2CCC3(CN(C(=O)[C@H](C)C#N)C3)C2)n(C)n1 ZINC001072544466 786349189 /nfs/dbraw/zinc/34/91/89/786349189.db2.gz NJCULKQBFYCFBM-GFCCVEGCSA-N 1 2 344.419 0.361 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1noc3c1COCC3)C2 ZINC001072551725 786355877 /nfs/dbraw/zinc/35/58/77/786355877.db2.gz IXKASNGBGOXRBA-LBPRGKRZSA-N 1 2 330.388 0.941 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](Cc1noc3c1COCC3)C2 ZINC001072551725 786355881 /nfs/dbraw/zinc/35/58/81/786355881.db2.gz IXKASNGBGOXRBA-LBPRGKRZSA-N 1 2 330.388 0.941 20 30 ECEDLO COCCc1noc(C[N@@H+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)n1 ZINC001072559561 786366379 /nfs/dbraw/zinc/36/63/79/786366379.db2.gz IHAXWSRYFSWUTI-LBPRGKRZSA-N 1 2 333.392 0.452 20 30 ECEDLO COCCc1noc(C[N@H+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)n1 ZINC001072559561 786366384 /nfs/dbraw/zinc/36/63/84/786366384.db2.gz IHAXWSRYFSWUTI-LBPRGKRZSA-N 1 2 333.392 0.452 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3cccc(C)c3=O)C[C@H]21 ZINC001074242482 786491767 /nfs/dbraw/zinc/49/17/67/786491767.db2.gz YLBCZJOPHZHEPX-SJORKVTESA-N 1 2 343.427 0.482 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3cccc(C)c3=O)C[C@H]21 ZINC001074242482 786491773 /nfs/dbraw/zinc/49/17/73/786491773.db2.gz YLBCZJOPHZHEPX-SJORKVTESA-N 1 2 343.427 0.482 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc4n[nH]nc43)C[C@H]21 ZINC001074243769 786496097 /nfs/dbraw/zinc/49/60/97/786496097.db2.gz BGJIJZKRCKOIJD-HZPDHXFCSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc4n[nH]nc43)C[C@H]21 ZINC001074243769 786496104 /nfs/dbraw/zinc/49/61/04/786496104.db2.gz BGJIJZKRCKOIJD-HZPDHXFCSA-N 1 2 339.399 0.897 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001074263873 786540567 /nfs/dbraw/zinc/54/05/67/786540567.db2.gz QFDJMXDTGBVZCF-DGCLKSJQSA-N 1 2 335.433 0.562 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnn4ccncc34)C[C@H]21 ZINC001074268467 786551856 /nfs/dbraw/zinc/55/18/56/786551856.db2.gz KNINYFYNABZPFL-IAGOWNOFSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnn4ccncc34)C[C@H]21 ZINC001074268467 786551864 /nfs/dbraw/zinc/55/18/64/786551864.db2.gz KNINYFYNABZPFL-IAGOWNOFSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)nc3CC)C[C@H]21 ZINC001074273170 786561793 /nfs/dbraw/zinc/56/17/93/786561793.db2.gz FFAZPWDXOFUBDB-SJORKVTESA-N 1 2 330.432 0.921 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)nc3CC)C[C@H]21 ZINC001074273170 786561799 /nfs/dbraw/zinc/56/17/99/786561799.db2.gz FFAZPWDXOFUBDB-SJORKVTESA-N 1 2 330.432 0.921 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc4nc[nH]c4n3)C[C@@H]21 ZINC001074273532 786562736 /nfs/dbraw/zinc/56/27/36/786562736.db2.gz KVJSIVLZLFUDDA-HOTGVXAUSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc4nc[nH]c4n3)C[C@@H]21 ZINC001074273532 786562743 /nfs/dbraw/zinc/56/27/43/786562743.db2.gz KVJSIVLZLFUDDA-HOTGVXAUSA-N 1 2 339.399 0.897 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccnc4n[nH]nc43)C[C@@H]21 ZINC001074291894 786609360 /nfs/dbraw/zinc/60/93/60/786609360.db2.gz MOGXBCVYFBDUBS-UONOGXRCSA-N 1 2 342.403 0.844 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccnc4n[nH]nc43)C[C@@H]21 ZINC001074291894 786609366 /nfs/dbraw/zinc/60/93/66/786609366.db2.gz MOGXBCVYFBDUBS-UONOGXRCSA-N 1 2 342.403 0.844 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)nc[nH]c3=O)C[C@H]21 ZINC001074317741 786664063 /nfs/dbraw/zinc/66/40/63/786664063.db2.gz VFVFCMWCNGCPFX-ZIAGYGMSSA-N 1 2 330.388 0.429 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)nc[nH]c3=O)C[C@H]21 ZINC001074317741 786664067 /nfs/dbraw/zinc/66/40/67/786664067.db2.gz VFVFCMWCNGCPFX-ZIAGYGMSSA-N 1 2 330.388 0.429 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn(CC)n2)C1 ZINC001073598436 786738395 /nfs/dbraw/zinc/73/83/95/786738395.db2.gz YQDPGSYSCCTXSK-LBPRGKRZSA-N 1 2 327.816 0.871 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2cnn(CC)n2)C1 ZINC001073598436 786738400 /nfs/dbraw/zinc/73/84/00/786738400.db2.gz YQDPGSYSCCTXSK-LBPRGKRZSA-N 1 2 327.816 0.871 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3nnnc3C(C)C)C[C@@H]21 ZINC001074354392 786739800 /nfs/dbraw/zinc/73/98/00/786739800.db2.gz POVKXOKXJVGTKS-GJZGRUSLSA-N 1 2 346.435 0.122 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3nnnc3C(C)C)C[C@@H]21 ZINC001074354392 786739806 /nfs/dbraw/zinc/73/98/06/786739806.db2.gz POVKXOKXJVGTKS-GJZGRUSLSA-N 1 2 346.435 0.122 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc4nncn4c3)C[C@@H]21 ZINC001074356923 786745751 /nfs/dbraw/zinc/74/57/51/786745751.db2.gz RRIMGPVOFDJOGG-HOTGVXAUSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc4nncn4c3)C[C@@H]21 ZINC001074356923 786745755 /nfs/dbraw/zinc/74/57/55/786745755.db2.gz RRIMGPVOFDJOGG-HOTGVXAUSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)N3CCOCC3)C[C@@H]21 ZINC001074363906 786762333 /nfs/dbraw/zinc/76/23/33/786762333.db2.gz QPVUMXODUUAQQZ-IRXDYDNUSA-N 1 2 349.475 0.422 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)N3CCOCC3)C[C@@H]21 ZINC001074363906 786762338 /nfs/dbraw/zinc/76/23/38/786762338.db2.gz QPVUMXODUUAQQZ-IRXDYDNUSA-N 1 2 349.475 0.422 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(OC)nn3)C[C@H]21 ZINC001074378060 786799538 /nfs/dbraw/zinc/79/95/38/786799538.db2.gz UPHSCHCCZXOMQV-CABCVRRESA-N 1 2 330.388 0.424 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(OC)nn3)C[C@H]21 ZINC001074378060 786799542 /nfs/dbraw/zinc/79/95/42/786799542.db2.gz UPHSCHCCZXOMQV-CABCVRRESA-N 1 2 330.388 0.424 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnn4cc[nH]c34)C[C@@H]21 ZINC001074390939 786831719 /nfs/dbraw/zinc/83/17/19/786831719.db2.gz UYVISIQUEZYDQN-LSDHHAIUSA-N 1 2 327.388 0.601 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnn4cc[nH]c34)C[C@@H]21 ZINC001074390939 786831726 /nfs/dbraw/zinc/83/17/26/786831726.db2.gz UYVISIQUEZYDQN-LSDHHAIUSA-N 1 2 327.388 0.601 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001073645105 786859188 /nfs/dbraw/zinc/85/91/88/786859188.db2.gz DQNWWGYPLMHPCB-QWHCGFSZSA-N 1 2 329.828 0.472 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001073645105 786859198 /nfs/dbraw/zinc/85/91/98/786859198.db2.gz DQNWWGYPLMHPCB-QWHCGFSZSA-N 1 2 329.828 0.472 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C[C@@H]21 ZINC001074401116 786859699 /nfs/dbraw/zinc/85/96/99/786859699.db2.gz YPPATIBNPRHSEN-LSDHHAIUSA-N 1 2 332.404 0.272 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C[C@@H]21 ZINC001074401116 786859711 /nfs/dbraw/zinc/85/97/11/786859711.db2.gz YPPATIBNPRHSEN-LSDHHAIUSA-N 1 2 332.404 0.272 20 30 ECEDLO C=CCOc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)CCCO2)cc1 ZINC001073664845 786913416 /nfs/dbraw/zinc/91/34/16/786913416.db2.gz QIFBKZMBGMIIDU-MRXNPFEDSA-N 1 2 347.415 0.557 20 30 ECEDLO C=CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)CCCO2)cc1 ZINC001073664845 786913422 /nfs/dbraw/zinc/91/34/22/786913422.db2.gz QIFBKZMBGMIIDU-MRXNPFEDSA-N 1 2 347.415 0.557 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC)CCCO2)cc1 ZINC001073724433 787064570 /nfs/dbraw/zinc/06/45/70/787064570.db2.gz VJRJTQOUILTUTD-MRXNPFEDSA-N 1 2 329.400 0.235 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC)CCCO2)cc1 ZINC001073724433 787064574 /nfs/dbraw/zinc/06/45/74/787064574.db2.gz VJRJTQOUILTUTD-MRXNPFEDSA-N 1 2 329.400 0.235 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001073871001 787408927 /nfs/dbraw/zinc/40/89/27/787408927.db2.gz CDPBQCPCVWUUHF-GJZGRUSLSA-N 1 2 343.855 0.814 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001073871001 787408934 /nfs/dbraw/zinc/40/89/34/787408934.db2.gz CDPBQCPCVWUUHF-GJZGRUSLSA-N 1 2 343.855 0.814 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnn(C)n2)[C@@H]1C ZINC001074656972 787522436 /nfs/dbraw/zinc/52/24/36/787522436.db2.gz MKJVLBBQAXPLOE-CRWXNKLISA-N 1 2 334.424 0.270 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC(O)(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001074662072 787533883 /nfs/dbraw/zinc/53/38/83/787533883.db2.gz BEPAYKDSLHJTOE-UHFFFAOYSA-N 1 2 348.447 0.955 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC001073960240 787587420 /nfs/dbraw/zinc/58/74/20/787587420.db2.gz LLEMAFZAADSNIX-GJZGRUSLSA-N 1 2 346.431 0.735 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001074706043 787646847 /nfs/dbraw/zinc/64/68/47/787646847.db2.gz DWTXBHDTZPJKNM-QWHCGFSZSA-N 1 2 347.419 0.218 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001074706043 787646854 /nfs/dbraw/zinc/64/68/54/787646854.db2.gz DWTXBHDTZPJKNM-QWHCGFSZSA-N 1 2 347.419 0.218 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001074107081 787889437 /nfs/dbraw/zinc/88/94/37/787889437.db2.gz LTTGSWLXMAWEMM-HUUCEWRRSA-N 1 2 348.447 0.909 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CCC(C)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001072987232 789229158 /nfs/dbraw/zinc/22/91/58/789229158.db2.gz SEAUAOOXWAIOFO-KRWDZBQOSA-N 1 2 334.420 0.777 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCC(C)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001073024938 789293846 /nfs/dbraw/zinc/29/38/46/789293846.db2.gz CGOLBSACIIQSPX-CQSZACIVSA-N 1 2 332.404 0.419 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001073215338 789618315 /nfs/dbraw/zinc/61/83/15/789618315.db2.gz NEYSOPPTFQQWNO-ZDUSSCGKSA-N 1 2 332.404 0.488 20 30 ECEDLO N#Cc1ccc(N2CC[C@]3(NC(=O)Cc4c[nH]c[nH+]4)CCC[C@H]23)nn1 ZINC001069291826 789736105 /nfs/dbraw/zinc/73/61/05/789736105.db2.gz RWUKIEHLOBLYCM-WMLDXEAASA-N 1 2 337.387 0.932 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCCN1c1ccc(C#N)nn1 ZINC001069376254 789783573 /nfs/dbraw/zinc/78/35/73/789783573.db2.gz UUKZQMGCAKHCLY-WFASDCNBSA-N 1 2 339.403 0.798 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCCN1c1cncc(C#N)n1 ZINC001069378041 789785563 /nfs/dbraw/zinc/78/55/63/789785563.db2.gz JNEYOEGGQZPPLE-WFASDCNBSA-N 1 2 339.403 0.798 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1c1cncc(C#N)n1 ZINC001069415279 789811579 /nfs/dbraw/zinc/81/15/79/789811579.db2.gz NFYCXRJMCWWJFE-RISCZKNCSA-N 1 2 325.376 0.788 20 30 ECEDLO CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1Nc1ccc(C#N)nn1 ZINC001069573599 789909652 /nfs/dbraw/zinc/90/96/52/789909652.db2.gz HLXKNOFYGRVIAP-CYBMUJFWSA-N 1 2 325.376 0.894 20 30 ECEDLO CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1Nc1cncc(C#N)n1 ZINC001069584018 789918754 /nfs/dbraw/zinc/91/87/54/789918754.db2.gz URBBBKQGQDQOMJ-LBPRGKRZSA-N 1 2 325.376 0.963 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CCCN3C(C)=O)c2C1 ZINC001069883967 790150525 /nfs/dbraw/zinc/15/05/25/790150525.db2.gz LAVJNHKRDNQEDT-MRXNPFEDSA-N 1 2 345.447 0.902 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CCCN3C(C)=O)c2C1 ZINC001069883967 790150527 /nfs/dbraw/zinc/15/05/27/790150527.db2.gz LAVJNHKRDNQEDT-MRXNPFEDSA-N 1 2 345.447 0.902 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)n2cccc2)[C@@H](n2ccnn2)C1 ZINC001069910410 790179610 /nfs/dbraw/zinc/17/96/10/790179610.db2.gz SXBGWIPNIAUHJC-XHSDSOJGSA-N 1 2 326.404 0.706 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)n2cccc2)[C@@H](n2ccnn2)C1 ZINC001069910410 790179611 /nfs/dbraw/zinc/17/96/11/790179611.db2.gz SXBGWIPNIAUHJC-XHSDSOJGSA-N 1 2 326.404 0.706 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnnc(C)c2)[C@@H](n2ccnn2)C1 ZINC001069916363 790186578 /nfs/dbraw/zinc/18/65/78/790186578.db2.gz SNFHOJGFKAEPNO-CABCVRRESA-N 1 2 325.376 0.055 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnnc(C)c2)[C@@H](n2ccnn2)C1 ZINC001069916363 790186581 /nfs/dbraw/zinc/18/65/81/790186581.db2.gz SNFHOJGFKAEPNO-CABCVRRESA-N 1 2 325.376 0.055 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C2CC(OCC)C2)[C@@H](n2ccnn2)C1 ZINC001069919242 790190744 /nfs/dbraw/zinc/19/07/44/790190744.db2.gz FCCIZCSGIIKGGS-FJBKBRRZSA-N 1 2 331.420 0.458 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C2CC(OCC)C2)[C@@H](n2ccnn2)C1 ZINC001069919242 790190751 /nfs/dbraw/zinc/19/07/51/790190751.db2.gz FCCIZCSGIIKGGS-FJBKBRRZSA-N 1 2 331.420 0.458 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccnn2CCC)[C@@H](n2ccnn2)C1 ZINC001069939109 790213762 /nfs/dbraw/zinc/21/37/62/790213762.db2.gz YIVOXUGQQKVXIA-HIFRSBDPSA-N 1 2 327.392 0.173 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccnn2CCC)[C@@H](n2ccnn2)C1 ZINC001069939109 790213764 /nfs/dbraw/zinc/21/37/64/790213764.db2.gz YIVOXUGQQKVXIA-HIFRSBDPSA-N 1 2 327.392 0.173 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cn3cc(C)ccc3n2)[C@@H](n2ccnn2)C1 ZINC001069958274 790240394 /nfs/dbraw/zinc/24/03/94/790240394.db2.gz FZKSHQJLTJFBBC-ZBFHGGJFSA-N 1 2 349.398 0.523 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn3cc(C)ccc3n2)[C@@H](n2ccnn2)C1 ZINC001069958274 790240401 /nfs/dbraw/zinc/24/04/01/790240401.db2.gz FZKSHQJLTJFBBC-ZBFHGGJFSA-N 1 2 349.398 0.523 20 30 ECEDLO C#CCCCCC(=O)N1CC2(C1)C[C@H](NC(=O)Cc1[nH]cc[nH+]1)CO2 ZINC001068983414 791548726 /nfs/dbraw/zinc/54/87/26/791548726.db2.gz JRAVFPQPTWAKIR-AWEZNQCLSA-N 1 2 344.415 0.632 20 30 ECEDLO C[C@@H]1C[C@H](Nc2ccc(C#N)nn2)CN1C(=O)Cc1c[nH+]cn1C ZINC001069122002 791722255 /nfs/dbraw/zinc/72/22/55/791722255.db2.gz MLFHSFMCXMBREV-YPMHNXCESA-N 1 2 325.376 0.726 20 30 ECEDLO CO[C@H](C)C(=O)N1CC[C@H]([NH+]2CCN(c3ccncc3C#N)CC2)C1 ZINC001066699248 792023344 /nfs/dbraw/zinc/02/33/44/792023344.db2.gz VEBFKQKXPFUXBT-ZBFHGGJFSA-N 1 2 343.431 0.711 20 30 ECEDLO C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001067703699 792157757 /nfs/dbraw/zinc/15/77/57/792157757.db2.gz AREBBCXZIXJWLM-UONOGXRCSA-N 1 2 331.420 0.912 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C)c1ccc(C#N)nn1 ZINC001067768379 792255998 /nfs/dbraw/zinc/25/59/98/792255998.db2.gz VFHILLZSTYPPHX-AWEZNQCLSA-N 1 2 339.403 0.752 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C)c1ccnc(C#N)n1 ZINC001067767810 792256765 /nfs/dbraw/zinc/25/67/65/792256765.db2.gz KLYNWLZWSICBQW-ZDUSSCGKSA-N 1 2 339.403 0.752 20 30 ECEDLO N#Cc1cncc(N[C@@]2(CO)CCCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC001066908185 792347562 /nfs/dbraw/zinc/34/75/62/792347562.db2.gz CELIDPQNTLJOON-INIZCTEOSA-N 1 2 341.375 0.010 20 30 ECEDLO N#Cc1ccc(N[C@]2(CO)CCCN(C(=O)Cn3cc[nH+]c3)C2)nc1 ZINC001066909527 792355302 /nfs/dbraw/zinc/35/53/02/792355302.db2.gz TUNWSVYLIZXJJQ-QGZVFWFLSA-N 1 2 340.387 0.615 20 30 ECEDLO C[C@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067962670 792512373 /nfs/dbraw/zinc/51/23/73/792512373.db2.gz DCJPBMUMMMVGFT-WFASDCNBSA-N 1 2 339.403 0.655 20 30 ECEDLO C[C@H]1CCN(c2ccc(C#N)nn2)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067993067 792554348 /nfs/dbraw/zinc/55/43/48/792554348.db2.gz HLVBUSUXRUVOFE-SMDDNHRTSA-N 1 2 325.376 0.645 20 30 ECEDLO CC1(C)CN(c2cncc(C#N)n2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001068115825 792698173 /nfs/dbraw/zinc/69/81/73/792698173.db2.gz SWCDHBNTCMNWKH-CYBMUJFWSA-N 1 2 325.376 0.576 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)CC1(C)C ZINC001068118557 792702589 /nfs/dbraw/zinc/70/25/89/792702589.db2.gz ZDFHRXRHWUYSJS-CQSZACIVSA-N 1 2 339.403 0.954 20 30 ECEDLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1Nc1ccnc(C#N)n1 ZINC001067122427 792720855 /nfs/dbraw/zinc/72/08/55/792720855.db2.gz AZQWEDHXCKKAFG-AAEUAGOBSA-N 1 2 325.376 0.005 20 30 ECEDLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1Nc1ccnc(C#N)n1 ZINC001067174461 792777054 /nfs/dbraw/zinc/77/70/54/792777054.db2.gz HQPXWIFTWLBLOZ-QWHCGFSZSA-N 1 2 325.376 0.316 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1Nc1ccc(C#N)nn1 ZINC001067217154 792832770 /nfs/dbraw/zinc/83/27/70/792832770.db2.gz FMJAIBXBJOGKJR-RISCZKNCSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1Nc1ccc(C#N)nn1 ZINC001067217154 792832779 /nfs/dbraw/zinc/83/27/79/792832779.db2.gz FMJAIBXBJOGKJR-RISCZKNCSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1Nc1nccnc1C#N ZINC001067218182 792833399 /nfs/dbraw/zinc/83/33/99/792833399.db2.gz RGXNKCAEODCALB-SMDDNHRTSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1Nc1nccnc1C#N ZINC001067218182 792833410 /nfs/dbraw/zinc/83/34/10/792833410.db2.gz RGXNKCAEODCALB-SMDDNHRTSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@H](Nc1ncccc1C#N)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001068234357 792884519 /nfs/dbraw/zinc/88/45/19/792884519.db2.gz GTFPEZFVXVNYJU-DZGCQCFKSA-N 1 2 340.387 0.878 20 30 ECEDLO C[C@@H](Nc1ccc(C#N)cn1)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001068234507 792885407 /nfs/dbraw/zinc/88/54/07/792885407.db2.gz HUNQFSGFHQUGOO-HIFRSBDPSA-N 1 2 340.387 0.878 20 30 ECEDLO C[C@H](Nc1nccnc1C#N)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001068235825 792891906 /nfs/dbraw/zinc/89/19/06/792891906.db2.gz AYXJOZXUXQECJX-AAEUAGOBSA-N 1 2 341.375 0.342 20 30 ECEDLO C[C@@H](Nc1cncc(C#N)n1)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001068235969 792892353 /nfs/dbraw/zinc/89/23/53/792892353.db2.gz ZNSCWBHIZUVTBN-TZMCWYRMSA-N 1 2 341.375 0.273 20 30 ECEDLO C[C@@H](Nc1ccncc1C#N)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001068236464 792895673 /nfs/dbraw/zinc/89/56/73/792895673.db2.gz IQIQYIDECRBGMG-IUODEOHRSA-N 1 2 340.387 0.369 20 30 ECEDLO C[C@H](Nc1ccncc1C#N)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001068246048 792927357 /nfs/dbraw/zinc/92/73/57/792927357.db2.gz SKSBFTQRZOIVQQ-LRDDRELGSA-N 1 2 340.387 0.369 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](C)C2)n1 ZINC001067408618 793114360 /nfs/dbraw/zinc/11/43/60/793114360.db2.gz VNSPNQATAKFADE-FZMZJTMJSA-N 1 2 339.403 0.954 20 30 ECEDLO CC(C)C#CC(=O)N1CC2(C1)CN(C(=O)CCn1cc[nH+]c1)CCO2 ZINC001068417895 793274262 /nfs/dbraw/zinc/27/42/62/793274262.db2.gz SRSPKJJHMHQRQB-UHFFFAOYSA-N 1 2 344.415 0.372 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CCOC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001068438119 793314674 /nfs/dbraw/zinc/31/46/74/793314674.db2.gz NGUUBIXQAUWOOO-OAHLLOKOSA-N 1 2 346.431 0.925 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)CCO2 ZINC001068442701 793321298 /nfs/dbraw/zinc/32/12/98/793321298.db2.gz WTCVWTIRBWSOKW-UHFFFAOYSA-N 1 2 346.431 0.994 20 30 ECEDLO CC(C)c1nsc(C[NH2+]CCN(CCO)C(=O)[C@@H](C)C#N)n1 ZINC001279673842 837420130 /nfs/dbraw/zinc/42/01/30/837420130.db2.gz YYZRRTCEHBLGEF-NSHDSACASA-N 1 2 325.438 0.732 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001267465874 837471400 /nfs/dbraw/zinc/47/14/00/837471400.db2.gz KEZTZZYXYYFNKG-NUJGCVRESA-N 1 2 349.475 0.864 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001267465874 837471405 /nfs/dbraw/zinc/47/14/05/837471405.db2.gz KEZTZZYXYYFNKG-NUJGCVRESA-N 1 2 349.475 0.864 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCNC(=O)C1CC1 ZINC001267530074 837702181 /nfs/dbraw/zinc/70/21/81/837702181.db2.gz KNWWBGGVBNLNMK-CWRNSKLLSA-N 1 2 333.432 0.226 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCNC(=O)C1CC1 ZINC001267530074 837702191 /nfs/dbraw/zinc/70/21/91/837702191.db2.gz KNWWBGGVBNLNMK-CWRNSKLLSA-N 1 2 333.432 0.226 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)c2ncccn2)C1 ZINC001267547928 837742725 /nfs/dbraw/zinc/74/27/25/837742725.db2.gz UOTCDLIIPJWARL-AWEZNQCLSA-N 1 2 329.404 0.153 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2ncccn2)C1 ZINC001267547928 837742730 /nfs/dbraw/zinc/74/27/30/837742730.db2.gz UOTCDLIIPJWARL-AWEZNQCLSA-N 1 2 329.404 0.153 20 30 ECEDLO C=CCn1cc(C(=O)NCC[C@H]2CC[N@H+](Cc3nncs3)C2)nn1 ZINC001267567055 837787888 /nfs/dbraw/zinc/78/78/88/837787888.db2.gz KRRZOATZDNWUAU-LBPRGKRZSA-N 1 2 347.448 0.958 20 30 ECEDLO C=CCn1cc(C(=O)NCC[C@H]2CC[N@@H+](Cc3nncs3)C2)nn1 ZINC001267567055 837787892 /nfs/dbraw/zinc/78/78/92/837787892.db2.gz KRRZOATZDNWUAU-LBPRGKRZSA-N 1 2 347.448 0.958 20 30 ECEDLO C#CCNC(=O)[C@H](C)N1CC[NH+](CCN(C)C(=O)/C=C(\C)CC)CC1 ZINC001267572184 837807732 /nfs/dbraw/zinc/80/77/32/837807732.db2.gz GNQOAZMKTFODGA-IWLLYFRBSA-N 1 2 348.491 0.557 20 30 ECEDLO C#CCNC(=O)[C@@H](C)N1CC[NH+](CCN(C)C(=O)CC2CCC2)CC1 ZINC001267574147 837818383 /nfs/dbraw/zinc/81/83/83/837818383.db2.gz WUVMWSMGPCNWPW-MRXNPFEDSA-N 1 2 348.491 0.391 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(CCN(C)C(=O)CC2CCC2)CC1 ZINC001267574147 837818386 /nfs/dbraw/zinc/81/83/86/837818386.db2.gz WUVMWSMGPCNWPW-MRXNPFEDSA-N 1 2 348.491 0.391 20 30 ECEDLO CC#CCN1CC[NH+](CCN(C)C(=O)c2ccc3nncn3c2)CC1 ZINC001267576129 837829855 /nfs/dbraw/zinc/82/98/55/837829855.db2.gz RTRMJKMJQULBKS-UHFFFAOYSA-N 1 2 340.431 0.442 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN(CCNC(=O)[C@H](C)CC)CC2)C1=O ZINC001266279367 835607181 /nfs/dbraw/zinc/60/71/81/835607181.db2.gz NLPSCFYTPMDGKX-HZPDHXFCSA-N 1 2 336.480 0.553 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(CCNC(=O)[C@@H]2CC=CCC2)CC1 ZINC001266279560 835607272 /nfs/dbraw/zinc/60/72/72/835607272.db2.gz VBVYDNDXVJWZEB-IAGOWNOFSA-N 1 2 348.491 0.767 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCN(CCNC(=O)[C@@H](C)CC)CC2)C1=O ZINC001266279366 835607429 /nfs/dbraw/zinc/60/74/29/835607429.db2.gz NLPSCFYTPMDGKX-HOTGVXAUSA-N 1 2 336.480 0.553 20 30 ECEDLO C=CC(C)(C)CC(=O)NCC[NH+]1CCN([C@@H](C)c2nnnn2C)CC1 ZINC001266285477 835620114 /nfs/dbraw/zinc/62/01/14/835620114.db2.gz AIKFTJDNPZMRBN-AWEZNQCLSA-N 1 2 349.483 0.607 20 30 ECEDLO COCC#CCN1CC[NH+](CCNC(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC001266285735 835620587 /nfs/dbraw/zinc/62/05/87/835620587.db2.gz LCUCTFQHVSWSPG-OAHLLOKOSA-N 1 2 343.418 0.805 20 30 ECEDLO COCC#CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC001266285735 835620591 /nfs/dbraw/zinc/62/05/91/835620591.db2.gz LCUCTFQHVSWSPG-OAHLLOKOSA-N 1 2 343.418 0.805 20 30 ECEDLO C=CC(C)(C)CC(=O)NCCN1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001266285820 835621433 /nfs/dbraw/zinc/62/14/33/835621433.db2.gz OKMCJIHRVSCHLQ-OAHLLOKOSA-N 1 2 336.480 0.553 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1nc(Cl)sc1C ZINC001266297329 835646976 /nfs/dbraw/zinc/64/69/76/835646976.db2.gz LQSCMLGZFXYBNO-UHFFFAOYSA-N 1 2 328.825 0.516 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1nc(Cl)sc1C ZINC001266297329 835646978 /nfs/dbraw/zinc/64/69/78/835646978.db2.gz LQSCMLGZFXYBNO-UHFFFAOYSA-N 1 2 328.825 0.516 20 30 ECEDLO CC#CCN1CC[NH+](CCNC(=O)[C@H]2CCCN2C(=O)CCC)CC1 ZINC001266297896 835649242 /nfs/dbraw/zinc/64/92/42/835649242.db2.gz WVYLLRANLZHDEY-QGZVFWFLSA-N 1 2 348.491 0.535 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C2CCCC2)C1 ZINC001266299394 835656081 /nfs/dbraw/zinc/65/60/81/835656081.db2.gz PTAKEZZGHFOXJW-TZMCWYRMSA-N 1 2 336.436 0.767 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C2CCCC2)C1 ZINC001266299394 835656083 /nfs/dbraw/zinc/65/60/83/835656083.db2.gz PTAKEZZGHFOXJW-TZMCWYRMSA-N 1 2 336.436 0.767 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC001266320824 835691982 /nfs/dbraw/zinc/69/19/82/835691982.db2.gz GZCGLLGLCVRKRS-GFCCVEGCSA-N 1 2 331.420 0.261 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC001266320824 835691987 /nfs/dbraw/zinc/69/19/87/835691987.db2.gz GZCGLLGLCVRKRS-GFCCVEGCSA-N 1 2 331.420 0.261 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cc3n(n2)CCCC3)C1 ZINC001266325088 835702579 /nfs/dbraw/zinc/70/25/79/835702579.db2.gz JQWOUITVKLXTMA-ZIAGYGMSSA-N 1 2 345.447 0.714 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cc3n(n2)CCCC3)C1 ZINC001266325088 835702581 /nfs/dbraw/zinc/70/25/81/835702581.db2.gz JQWOUITVKLXTMA-ZIAGYGMSSA-N 1 2 345.447 0.714 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccnc(C)c2)C1 ZINC001266346690 835737103 /nfs/dbraw/zinc/73/71/03/835737103.db2.gz GJIPFRYNZQPTKK-CQSZACIVSA-N 1 2 345.403 0.206 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccnc(C)c2)C1 ZINC001266346690 835737111 /nfs/dbraw/zinc/73/71/11/835737111.db2.gz GJIPFRYNZQPTKK-CQSZACIVSA-N 1 2 345.403 0.206 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccc(-c2cnn(C)c2)o1 ZINC001266347772 835740012 /nfs/dbraw/zinc/74/00/12/835740012.db2.gz QRZYKOLBUGPVPG-UHFFFAOYSA-N 1 2 343.387 0.091 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1ccc(-c2cnn(C)c2)o1 ZINC001266347772 835740022 /nfs/dbraw/zinc/74/00/22/835740022.db2.gz QRZYKOLBUGPVPG-UHFFFAOYSA-N 1 2 343.387 0.091 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCCS(=O)(=O)CC)C2)cn1 ZINC001266353079 835753120 /nfs/dbraw/zinc/75/31/20/835753120.db2.gz NWZAUKIPMVNNNX-MRXNPFEDSA-N 1 2 349.456 0.692 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCCS(=O)(=O)CC)C2)cn1 ZINC001266353079 835753127 /nfs/dbraw/zinc/75/31/27/835753127.db2.gz NWZAUKIPMVNNNX-MRXNPFEDSA-N 1 2 349.456 0.692 20 30 ECEDLO C[N@H+](CCNC(=O)CC[C@H]1NC(=O)NC1=O)Cc1ccccc1C#N ZINC001266356430 835761777 /nfs/dbraw/zinc/76/17/77/835761777.db2.gz CXWZUJKYVUQGAD-CQSZACIVSA-N 1 2 343.387 0.094 20 30 ECEDLO C[N@@H+](CCNC(=O)CC[C@H]1NC(=O)NC1=O)Cc1ccccc1C#N ZINC001266356430 835761785 /nfs/dbraw/zinc/76/17/85/835761785.db2.gz CXWZUJKYVUQGAD-CQSZACIVSA-N 1 2 343.387 0.094 20 30 ECEDLO CCCN(C(=O)[C@@H](CC)OC)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC001266384774 835795289 /nfs/dbraw/zinc/79/52/89/835795289.db2.gz VHFDDUXDKAZDIO-OAHLLOKOSA-N 1 2 338.452 0.754 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1ncc(C)cc1OC ZINC001266468322 835869866 /nfs/dbraw/zinc/86/98/66/835869866.db2.gz OBJJHFFORPTQHU-AWEZNQCLSA-N 1 2 344.415 0.342 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1ncc(C)cc1OC ZINC001266468322 835869873 /nfs/dbraw/zinc/86/98/73/835869873.db2.gz OBJJHFFORPTQHU-AWEZNQCLSA-N 1 2 344.415 0.342 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cn(C(C)(C)C)nn1 ZINC001266468705 835871978 /nfs/dbraw/zinc/87/19/78/835871978.db2.gz WNLRHPZNOOXNMS-ZDUSSCGKSA-N 1 2 348.451 0.530 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cn(C(C)(C)C)nn1 ZINC001266468705 835871986 /nfs/dbraw/zinc/87/19/86/835871986.db2.gz WNLRHPZNOOXNMS-ZDUSSCGKSA-N 1 2 348.451 0.530 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1ncoc1C1CC1 ZINC001266488299 835888175 /nfs/dbraw/zinc/88/81/75/835888175.db2.gz GUNPAAWOIZHWEN-LBPRGKRZSA-N 1 2 331.376 0.386 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1ncoc1C1CC1 ZINC001266488299 835888182 /nfs/dbraw/zinc/88/81/82/835888182.db2.gz GUNPAAWOIZHWEN-LBPRGKRZSA-N 1 2 331.376 0.386 20 30 ECEDLO C=CCn1cc(C(=O)NCC[N@@H+](Cc2ccn(C)n2)C2CC2)nn1 ZINC001266613975 836047642 /nfs/dbraw/zinc/04/76/42/836047642.db2.gz MYCFNPLDXXYJBR-UHFFFAOYSA-N 1 2 329.408 0.592 20 30 ECEDLO C=CCn1cc(C(=O)NCC[N@H+](Cc2ccn(C)n2)C2CC2)nn1 ZINC001266613975 836047652 /nfs/dbraw/zinc/04/76/52/836047652.db2.gz MYCFNPLDXXYJBR-UHFFFAOYSA-N 1 2 329.408 0.592 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2ccon2)C1 ZINC001266748972 836236964 /nfs/dbraw/zinc/23/69/64/836236964.db2.gz BMSJUYWZOQEWPQ-AWEZNQCLSA-N 1 2 348.403 0.481 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC001266748972 836236974 /nfs/dbraw/zinc/23/69/74/836236974.db2.gz BMSJUYWZOQEWPQ-AWEZNQCLSA-N 1 2 348.403 0.481 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N[C@@]1(CO)CCC[N@@H+](CC(=O)NCC)C1 ZINC001279510159 836294257 /nfs/dbraw/zinc/29/42/57/836294257.db2.gz WJKGHNHSVMUIJH-YOEHRIQHSA-N 1 2 325.453 0.668 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N[C@@]1(CO)CCC[N@H+](CC(=O)NCC)C1 ZINC001279510159 836294268 /nfs/dbraw/zinc/29/42/68/836294268.db2.gz WJKGHNHSVMUIJH-YOEHRIQHSA-N 1 2 325.453 0.668 20 30 ECEDLO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)CS(=O)(=O)CCOC ZINC001266844840 836370891 /nfs/dbraw/zinc/37/08/91/836370891.db2.gz QOQVOEYPJAWNQT-AWEZNQCLSA-N 1 2 332.466 0.594 20 30 ECEDLO C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)CS(=O)(=O)CCOC ZINC001266844840 836370900 /nfs/dbraw/zinc/37/09/00/836370900.db2.gz QOQVOEYPJAWNQT-AWEZNQCLSA-N 1 2 332.466 0.594 20 30 ECEDLO C=CCCC(=O)N1CCC[C@H](C(=O)NCC[NH2+]Cc2nnc(C)o2)C1 ZINC001267001600 836593027 /nfs/dbraw/zinc/59/30/27/836593027.db2.gz SXDKDPFHROUOJN-AWEZNQCLSA-N 1 2 349.435 0.789 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)Oc1ccccc1F ZINC001267198185 836964513 /nfs/dbraw/zinc/96/45/13/836964513.db2.gz HDYNZNGDDAZTAT-CYBMUJFWSA-N 1 2 335.379 0.390 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)Oc1ccccc1F ZINC001267198185 836964520 /nfs/dbraw/zinc/96/45/20/836964520.db2.gz HDYNZNGDDAZTAT-CYBMUJFWSA-N 1 2 335.379 0.390 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1c(F)cccc1NC(C)=O ZINC001267220154 837013383 /nfs/dbraw/zinc/01/33/83/837013383.db2.gz KFSRGLLRAPZVOQ-UHFFFAOYSA-N 1 2 348.378 0.195 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1c(F)cccc1NC(C)=O ZINC001267220154 837013390 /nfs/dbraw/zinc/01/33/90/837013390.db2.gz KFSRGLLRAPZVOQ-UHFFFAOYSA-N 1 2 348.378 0.195 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn2c1CCCC2 ZINC001267279477 837124506 /nfs/dbraw/zinc/12/45/06/837124506.db2.gz FWLOWOHRQRFWLS-CYBMUJFWSA-N 1 2 344.419 0.053 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnn2c1CCCC2 ZINC001267279477 837124512 /nfs/dbraw/zinc/12/45/12/837124512.db2.gz FWLOWOHRQRFWLS-CYBMUJFWSA-N 1 2 344.419 0.053 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2ncnn2CCC)C1 ZINC001267292441 837143413 /nfs/dbraw/zinc/14/34/13/837143413.db2.gz AUZDTOSLHJBTSU-HUUCEWRRSA-N 1 2 333.436 0.665 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2ncnn2CCC)C1 ZINC001267292441 837143421 /nfs/dbraw/zinc/14/34/21/837143421.db2.gz AUZDTOSLHJBTSU-HUUCEWRRSA-N 1 2 333.436 0.665 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2nc(CC3CC3)no2)C1 ZINC001267292564 837144637 /nfs/dbraw/zinc/14/46/37/837144637.db2.gz CGCAPJLGEQCISG-ZFWWWQNUSA-N 1 2 346.431 0.999 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2nc(CC3CC3)no2)C1 ZINC001267292564 837144640 /nfs/dbraw/zinc/14/46/40/837144640.db2.gz CGCAPJLGEQCISG-ZFWWWQNUSA-N 1 2 346.431 0.999 20 30 ECEDLO CO[C@H](C)c1noc(C[NH2+]CCN(C)C(=O)c2ccc(C#N)[nH]2)n1 ZINC001267363485 837258704 /nfs/dbraw/zinc/25/87/04/837258704.db2.gz FZCIAPRJLPNDJH-SNVBAGLBSA-N 1 2 332.364 0.839 20 30 ECEDLO C#CCN1CC[NH+](CCN(C)C(=O)C2(c3cccnc3)CC2)CC1 ZINC001267609160 837966677 /nfs/dbraw/zinc/96/66/77/837966677.db2.gz RBYNQVSDYDYODM-UHFFFAOYSA-N 1 2 326.444 0.822 20 30 ECEDLO C=C[C@H](CC)CC(=O)N(C)CCN1CC[NH+]([C@@H](C)C(=O)NC)CC1 ZINC001267609306 837970189 /nfs/dbraw/zinc/97/01/89/837970189.db2.gz VVCAYVHQHAAOGF-JKSUJKDBSA-N 1 2 338.496 0.799 20 30 ECEDLO C=C[C@H](CC)CC(=O)N(C)CC[NH+]1CCN([C@@H](C)C(=O)NC)CC1 ZINC001267609306 837970193 /nfs/dbraw/zinc/97/01/93/837970193.db2.gz VVCAYVHQHAAOGF-JKSUJKDBSA-N 1 2 338.496 0.799 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2CC=CC2)C1 ZINC001267611119 837975688 /nfs/dbraw/zinc/97/56/88/837975688.db2.gz YOPSIVQQXDTCMU-CQSZACIVSA-N 1 2 334.420 0.545 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2CC=CC2)C1 ZINC001267611119 837975692 /nfs/dbraw/zinc/97/56/92/837975692.db2.gz YOPSIVQQXDTCMU-CQSZACIVSA-N 1 2 334.420 0.545 20 30 ECEDLO C#CC[NH+]1CCN(CCN(C)C(=O)CCCC(=O)NC(C)C)CC1 ZINC001267618345 838049771 /nfs/dbraw/zinc/04/97/71/838049771.db2.gz MWAJMJBQZAFKER-UHFFFAOYSA-N 1 2 336.480 0.391 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2c(C3CC3)cnn2C)C1 ZINC001267628398 838084609 /nfs/dbraw/zinc/08/46/09/838084609.db2.gz VCELKNKNTAYZCY-AWEZNQCLSA-N 1 2 345.447 0.794 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2c(C3CC3)cnn2C)C1 ZINC001267628398 838084618 /nfs/dbraw/zinc/08/46/18/838084618.db2.gz VCELKNKNTAYZCY-AWEZNQCLSA-N 1 2 345.447 0.794 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)c2coc(C(N)=O)c2)C1 ZINC001267628736 838086044 /nfs/dbraw/zinc/08/60/44/838086044.db2.gz JICSYJMNFACGLL-AAEUAGOBSA-N 1 2 348.403 0.263 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2coc(C(N)=O)c2)C1 ZINC001267628736 838086057 /nfs/dbraw/zinc/08/60/57/838086057.db2.gz JICSYJMNFACGLL-AAEUAGOBSA-N 1 2 348.403 0.263 20 30 ECEDLO C#CCOCCC(=O)NC1C[NH+](CCc2ccc3c(c2)OCCO3)C1 ZINC001267645221 838130370 /nfs/dbraw/zinc/13/03/70/838130370.db2.gz PQIDGSCQWBLCCR-UHFFFAOYSA-N 1 2 344.411 0.841 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCCc3nn(C)cc32)C1 ZINC001267690145 838258630 /nfs/dbraw/zinc/25/86/30/838258630.db2.gz WVZOUMWEWZPQQO-AWEZNQCLSA-N 1 2 345.447 0.190 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)c2ccc(F)c(OC)c2)C1 ZINC001267693443 838277129 /nfs/dbraw/zinc/27/71/29/838277129.db2.gz FNXKPQAFOORZKZ-UHFFFAOYSA-N 1 2 333.363 0.245 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001267695036 838286238 /nfs/dbraw/zinc/28/62/38/838286238.db2.gz XTFSGPCWEQIUDY-TUKIKUTGSA-N 1 2 348.447 0.481 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2cccc(N(C)C)c2)C1 ZINC001267696851 838288952 /nfs/dbraw/zinc/28/89/52/838288952.db2.gz ADFWYEPEAUCDIT-CQSZACIVSA-N 1 2 342.443 0.552 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)c2cncc3ccccc32)C1 ZINC001267701648 838296575 /nfs/dbraw/zinc/29/65/75/838296575.db2.gz XBEHKGAFZCACHD-UHFFFAOYSA-N 1 2 336.395 0.646 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@H](C)Cc2ccc(F)cc2)C1 ZINC001267700722 838298316 /nfs/dbraw/zinc/29/83/16/838298316.db2.gz HNCYXBNQTVTUNZ-CQSZACIVSA-N 1 2 345.418 0.802 20 30 ECEDLO C#CCCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN(C)S(C)(=O)=O ZINC001267704808 838305591 /nfs/dbraw/zinc/30/55/91/838305591.db2.gz GHLRVNLITDPRQC-GJZGRUSLSA-N 1 2 341.477 0.357 20 30 ECEDLO C#CCCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN(C)S(C)(=O)=O ZINC001267704808 838305597 /nfs/dbraw/zinc/30/55/97/838305597.db2.gz GHLRVNLITDPRQC-GJZGRUSLSA-N 1 2 341.477 0.357 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2([C@H]3CCCCO3)CCC2)C1 ZINC001267726687 838402493 /nfs/dbraw/zinc/40/24/93/838402493.db2.gz UZJRTGZEZCCYMW-JKSUJKDBSA-N 1 2 347.459 0.666 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2([C@H]3CCCCO3)CCC2)C1 ZINC001267726687 838402496 /nfs/dbraw/zinc/40/24/96/838402496.db2.gz UZJRTGZEZCCYMW-JKSUJKDBSA-N 1 2 347.459 0.666 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001267728917 838412362 /nfs/dbraw/zinc/41/23/62/838412362.db2.gz QVMLVQPJEOVRET-YPMHNXCESA-N 1 2 329.404 0.229 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001267728917 838412365 /nfs/dbraw/zinc/41/23/65/838412365.db2.gz QVMLVQPJEOVRET-YPMHNXCESA-N 1 2 329.404 0.229 20 30 ECEDLO COc1ccc(CC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C2)cc1 ZINC001267732686 838421235 /nfs/dbraw/zinc/42/12/35/838421235.db2.gz YTRUASMWAPNIOT-AWEZNQCLSA-N 1 2 330.388 0.068 20 30 ECEDLO COc1ccc(CC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)cc1 ZINC001267732686 838421239 /nfs/dbraw/zinc/42/12/39/838421239.db2.gz YTRUASMWAPNIOT-AWEZNQCLSA-N 1 2 330.388 0.068 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2cccc(OC)n2)C1 ZINC001267732656 838421441 /nfs/dbraw/zinc/42/14/41/838421441.db2.gz KHQKYSRQSQYRLF-OLZOCXBDSA-N 1 2 332.404 0.585 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cccc(OC)n2)C1 ZINC001267732656 838421444 /nfs/dbraw/zinc/42/14/44/838421444.db2.gz KHQKYSRQSQYRLF-OLZOCXBDSA-N 1 2 332.404 0.585 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3ccccc3O2)C1 ZINC001267731872 838422920 /nfs/dbraw/zinc/42/29/20/838422920.db2.gz XGOYEEULKXEWSR-DOTOQJQBSA-N 1 2 343.427 0.873 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3ccccc3O2)C1 ZINC001267731872 838422923 /nfs/dbraw/zinc/42/29/23/838422923.db2.gz XGOYEEULKXEWSR-DOTOQJQBSA-N 1 2 343.427 0.873 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)c2Cl)C1 ZINC001267745582 838450843 /nfs/dbraw/zinc/45/08/43/838450843.db2.gz WXYJBHSOOQKTJI-GHMZBOCLSA-N 1 2 337.811 0.016 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cnn(C)c2Cl)C1 ZINC001267745582 838450846 /nfs/dbraw/zinc/45/08/46/838450846.db2.gz WXYJBHSOOQKTJI-GHMZBOCLSA-N 1 2 337.811 0.016 20 30 ECEDLO CCc1ccc(CC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)nc1 ZINC001267749050 838463422 /nfs/dbraw/zinc/46/34/22/838463422.db2.gz HTTOGQJPBSUUEB-OAHLLOKOSA-N 1 2 329.404 0.017 20 30 ECEDLO CCc1ccc(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)nc1 ZINC001267749050 838463430 /nfs/dbraw/zinc/46/34/30/838463430.db2.gz HTTOGQJPBSUUEB-OAHLLOKOSA-N 1 2 329.404 0.017 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N[C@H](C)C3CC3)C2)nn1 ZINC001267750293 838469266 /nfs/dbraw/zinc/46/92/66/838469266.db2.gz YNIPCHUTCUAWQH-TZMCWYRMSA-N 1 2 346.435 0.183 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N[C@H](C)C3CC3)C2)nn1 ZINC001267750293 838469269 /nfs/dbraw/zinc/46/92/69/838469269.db2.gz YNIPCHUTCUAWQH-TZMCWYRMSA-N 1 2 346.435 0.183 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)F)C1 ZINC001267755143 838479294 /nfs/dbraw/zinc/47/92/94/838479294.db2.gz BQMGOBLEKKHSHI-NSHDSACASA-N 1 2 328.388 0.279 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)F)C1 ZINC001267755143 838479297 /nfs/dbraw/zinc/47/92/97/838479297.db2.gz BQMGOBLEKKHSHI-NSHDSACASA-N 1 2 328.388 0.279 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C2(C)CC=CC2)C1 ZINC001267773042 838530682 /nfs/dbraw/zinc/53/06/82/838530682.db2.gz YZXFRDQWYDNEME-AWEZNQCLSA-N 1 2 348.447 0.887 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C2(C)CC=CC2)C1 ZINC001267773042 838530687 /nfs/dbraw/zinc/53/06/87/838530687.db2.gz YZXFRDQWYDNEME-AWEZNQCLSA-N 1 2 348.447 0.887 20 30 ECEDLO Cc1nc(CCC(=O)N(C)[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)cs1 ZINC001267773096 838530878 /nfs/dbraw/zinc/53/08/78/838530878.db2.gz JLOCIFNDOZDDQL-CQSZACIVSA-N 1 2 349.460 0.557 20 30 ECEDLO Cc1nc(CCC(=O)N(C)[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)cs1 ZINC001267773096 838530883 /nfs/dbraw/zinc/53/08/83/838530883.db2.gz JLOCIFNDOZDDQL-CQSZACIVSA-N 1 2 349.460 0.557 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCn1cc[nH+]c1 ZINC000130896381 223186437 /nfs/dbraw/zinc/18/64/37/223186437.db2.gz SSLKNCHEEAWZFB-CYBMUJFWSA-N 1 2 340.391 0.465 20 30 ECEDLO CCN(CC(=O)NC(C)C)C(=O)C[NH+]1CCC(C#N)(COC)CC1 ZINC000341997229 284394154 /nfs/dbraw/zinc/39/41/54/284394154.db2.gz WJFIATFTIJTRLS-UHFFFAOYSA-N 1 2 338.452 0.612 20 30 ECEDLO CNS(=O)(=O)C1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000264644182 246731905 /nfs/dbraw/zinc/73/19/05/246731905.db2.gz RBFHLNIWFPQSEJ-UHFFFAOYSA-N 1 2 336.417 0.510 20 30 ECEDLO COCC(COC)[NH+]1CCN(C(=O)c2cc(C)c(C#N)cn2)CC1 ZINC000412435720 208238010 /nfs/dbraw/zinc/23/80/10/208238010.db2.gz ARXOYOBHWNKHSY-UHFFFAOYSA-N 1 2 332.404 0.681 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2csc(C(=O)OC)c2)CC1 ZINC000266240702 533055008 /nfs/dbraw/zinc/05/50/08/533055008.db2.gz ZSHVZFJSIKIIHO-UHFFFAOYSA-N 1 2 342.442 0.864 20 30 ECEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OC[C@H]3CNC(=O)O3)cn2)n1 ZINC000282328021 254554048 /nfs/dbraw/zinc/55/40/48/254554048.db2.gz UUYKYDWGCNNFKC-GFCCVEGCSA-N 1 2 330.348 0.629 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2ccccc2C(N)=O)C1=O ZINC000281339750 254550114 /nfs/dbraw/zinc/55/01/14/254550114.db2.gz MKGAJHFDOZKNOV-AWEZNQCLSA-N 1 2 330.388 0.443 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccccc2C(N)=O)C1=O ZINC000281339750 254550116 /nfs/dbraw/zinc/55/01/16/254550116.db2.gz MKGAJHFDOZKNOV-AWEZNQCLSA-N 1 2 330.388 0.443 20 30 ECEDLO CN(CC[NH+]1CCOCC1)C(=O)CNC(=O)NC1CCCCC1 ZINC000328882505 254593822 /nfs/dbraw/zinc/59/38/22/254593822.db2.gz XDZWWUWQOVFHCR-UHFFFAOYSA-N 1 2 326.441 0.613 20 30 ECEDLO C=CCn1c([C@H]2COCCO2)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000337858036 254670178 /nfs/dbraw/zinc/67/01/78/254670178.db2.gz MEJJFDWHHSDFQL-HUUCEWRRSA-N 1 2 349.435 0.463 20 30 ECEDLO COC(=O)[C@]1(C)CN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000330409254 254635418 /nfs/dbraw/zinc/63/54/18/254635418.db2.gz KBIOODDVVMZYOW-DVOMOZLQSA-N 1 2 327.425 0.752 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCO2)CC1 ZINC000491068824 254895777 /nfs/dbraw/zinc/89/57/77/254895777.db2.gz RRSRPHKVAQAGRU-CVEARBPZSA-N 1 2 345.447 0.716 20 30 ECEDLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000187546013 533669062 /nfs/dbraw/zinc/66/90/62/533669062.db2.gz GCJCFKBUXIHHSQ-LLVKDONJSA-N 1 2 334.351 0.161 20 30 ECEDLO N#Cc1cccc(CS(=O)(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000123678175 222316142 /nfs/dbraw/zinc/31/61/42/222316142.db2.gz CVASXHDVNPAIBD-INIZCTEOSA-N 1 2 335.429 0.841 20 30 ECEDLO N#Cc1cccc(CS(=O)(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000123678175 222316145 /nfs/dbraw/zinc/31/61/45/222316145.db2.gz CVASXHDVNPAIBD-INIZCTEOSA-N 1 2 335.429 0.841 20 30 ECEDLO C[C@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1ccc(C#N)cc1 ZINC000271668447 263322257 /nfs/dbraw/zinc/32/22/57/263322257.db2.gz MVBYAWLEYFZMPD-JTQLQIEISA-N 1 2 338.371 0.683 20 30 ECEDLO N#Cc1ccnc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000282903337 264069338 /nfs/dbraw/zinc/06/93/38/264069338.db2.gz BACVYOIRIRKCLQ-UHFFFAOYSA-N 1 2 341.415 0.724 20 30 ECEDLO N#Cc1ccnc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000282903337 264069341 /nfs/dbraw/zinc/06/93/41/264069341.db2.gz BACVYOIRIRKCLQ-UHFFFAOYSA-N 1 2 341.415 0.724 20 30 ECEDLO C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000283499469 264123114 /nfs/dbraw/zinc/12/31/14/264123114.db2.gz AOLQZYWYVDMCRG-UONOGXRCSA-N 1 2 344.415 0.572 20 30 ECEDLO N#Cc1ncn(CCNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)n1 ZINC000286414528 264395809 /nfs/dbraw/zinc/39/58/09/264395809.db2.gz CTHBUNMHCOTOMY-UHFFFAOYSA-N 1 2 340.391 0.644 20 30 ECEDLO N#Cc1c[nH]c(=O)n(Cc2cccc(C[NH+]3CCOCC3)c2)c1=O ZINC000519154580 270007880 /nfs/dbraw/zinc/00/78/80/270007880.db2.gz VMGBVHFMPWOLCV-UHFFFAOYSA-N 1 2 326.356 0.289 20 30 ECEDLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000288466793 266399324 /nfs/dbraw/zinc/39/93/24/266399324.db2.gz WLYUSWOHTXLGDR-MRXNPFEDSA-N 1 2 337.445 0.777 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1nc2c(cc1C#N)CCCC2 ZINC000301884826 266555956 /nfs/dbraw/zinc/55/59/56/266555956.db2.gz LQJOHAZFWCUUHL-INIZCTEOSA-N 1 2 330.432 0.961 20 30 ECEDLO C[C@@H]1OCC[C@@H]1[N@H+](CCO)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343759940 267099033 /nfs/dbraw/zinc/09/90/33/267099033.db2.gz PQOIROQRPUUYQD-JSGCOSHPSA-N 1 2 339.417 0.199 20 30 ECEDLO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343759940 267099036 /nfs/dbraw/zinc/09/90/36/267099036.db2.gz PQOIROQRPUUYQD-JSGCOSHPSA-N 1 2 339.417 0.199 20 30 ECEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000377530318 267137619 /nfs/dbraw/zinc/13/76/19/267137619.db2.gz BGSBMGNAPLETOO-LLVKDONJSA-N 1 2 336.417 0.638 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccc(C#N)cn1 ZINC000529753333 267330589 /nfs/dbraw/zinc/33/05/89/267330589.db2.gz QGGOPBLZGMKBRJ-KRWDZBQOSA-N 1 2 330.388 0.299 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccc(C#N)cn1 ZINC000529753333 267330590 /nfs/dbraw/zinc/33/05/90/267330590.db2.gz QGGOPBLZGMKBRJ-KRWDZBQOSA-N 1 2 330.388 0.299 20 30 ECEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000514820978 267832463 /nfs/dbraw/zinc/83/24/63/267832463.db2.gz WQBZTNHTIQISSA-GFCCVEGCSA-N 1 2 347.400 0.238 20 30 ECEDLO N#Cc1ccc(CS(=O)(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000377380415 268078353 /nfs/dbraw/zinc/07/83/53/268078353.db2.gz SMHLPADTTMXKHS-INIZCTEOSA-N 1 2 335.429 0.795 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)cc1 ZINC000377670305 268188935 /nfs/dbraw/zinc/18/89/35/268188935.db2.gz IRKPWDKTINYUQR-UKRRQHHQSA-N 1 2 333.413 0.400 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)cc1 ZINC000377670305 268188936 /nfs/dbraw/zinc/18/89/36/268188936.db2.gz IRKPWDKTINYUQR-UKRRQHHQSA-N 1 2 333.413 0.400 20 30 ECEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)cc1 ZINC000339420723 268211958 /nfs/dbraw/zinc/21/19/58/268211958.db2.gz XGIHACMYKIYXAO-HZPDHXFCSA-N 1 2 340.387 0.506 20 30 ECEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)cc1 ZINC000339420723 268211959 /nfs/dbraw/zinc/21/19/59/268211959.db2.gz XGIHACMYKIYXAO-HZPDHXFCSA-N 1 2 340.387 0.506 20 30 ECEDLO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000528424199 268301121 /nfs/dbraw/zinc/30/11/21/268301121.db2.gz YFNFARJKQONKHZ-DLBZAZTESA-N 1 2 331.416 0.704 20 30 ECEDLO N#Cc1ncccc1S(=O)(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000277167703 268330141 /nfs/dbraw/zinc/33/01/41/268330141.db2.gz MLOMSCUGLNYSAE-GFCCVEGCSA-N 1 2 329.385 0.905 20 30 ECEDLO C=C[C@H](CO)NC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000359473938 277911285 /nfs/dbraw/zinc/91/12/85/277911285.db2.gz FTIYORVNCCRTSF-KFNAQCHYSA-N 1 2 347.419 0.461 20 30 ECEDLO C=C[C@H](CO)NC(=O)[C@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000356857803 277911985 /nfs/dbraw/zinc/91/19/85/277911985.db2.gz HEKFJBSGHCPCAP-DVOMOZLQSA-N 1 2 334.420 0.773 20 30 ECEDLO CC(=O)N1CC[C@H](CN(C)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000328831046 278053721 /nfs/dbraw/zinc/05/37/21/278053721.db2.gz KURULEQVESKXKZ-IJEWVQPXSA-N 1 2 340.468 0.810 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000452107861 288177597 /nfs/dbraw/zinc/17/75/97/288177597.db2.gz UHXMFKLJYOLJEV-LLVKDONJSA-N 1 2 343.836 0.899 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000452107861 288177600 /nfs/dbraw/zinc/17/76/00/288177600.db2.gz UHXMFKLJYOLJEV-LLVKDONJSA-N 1 2 343.836 0.899 20 30 ECEDLO COCCn1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000189505855 437603753 /nfs/dbraw/zinc/60/37/53/437603753.db2.gz JBOCBKFZFFYBSI-UHFFFAOYSA-N 1 2 335.408 0.218 20 30 ECEDLO CN(C(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1ccc(C#N)o1 ZINC000416657590 288928904 /nfs/dbraw/zinc/92/89/04/288928904.db2.gz YWZNPGGHZZXNPW-UHFFFAOYSA-N 1 2 327.406 0.883 20 30 ECEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000121632238 289264252 /nfs/dbraw/zinc/26/42/52/289264252.db2.gz VCYCERKLIACCIW-CYBMUJFWSA-N 1 2 329.404 0.655 20 30 ECEDLO [O-]C(=[NH+][C@@H]1CCc2c[nH]nc2C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329681263 295383790 /nfs/dbraw/zinc/38/37/90/295383790.db2.gz WUPWKRYNIGNMKF-CABCVRRESA-N 1 2 333.436 0.978 20 30 ECEDLO O=C(N[C@@H]1CCc2c[nH]nc2C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329681263 295383794 /nfs/dbraw/zinc/38/37/94/295383794.db2.gz WUPWKRYNIGNMKF-CABCVRRESA-N 1 2 333.436 0.978 20 30 ECEDLO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000330869990 298001262 /nfs/dbraw/zinc/00/12/62/298001262.db2.gz QGSFLGBELXSHOF-GHMZBOCLSA-N 1 2 333.454 0.570 20 30 ECEDLO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000330869990 298001265 /nfs/dbraw/zinc/00/12/65/298001265.db2.gz QGSFLGBELXSHOF-GHMZBOCLSA-N 1 2 333.454 0.570 20 30 ECEDLO C[C@H](CNC(=O)N1CC[C@@H](C)S(=O)(=O)CC1)C[NH+]1CCOCC1 ZINC000330325132 298244588 /nfs/dbraw/zinc/24/45/88/298244588.db2.gz UMKGIABIVTUWGF-ZIAGYGMSSA-N 1 2 347.481 0.378 20 30 ECEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000073350366 436075152 /nfs/dbraw/zinc/07/51/52/436075152.db2.gz SYHXXYXXYLOHIA-KGLIPLIRSA-N 1 2 335.452 0.032 20 30 ECEDLO C[C@H](C(=O)NC1CC1)N1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000073350366 436075157 /nfs/dbraw/zinc/07/51/57/436075157.db2.gz SYHXXYXXYLOHIA-KGLIPLIRSA-N 1 2 335.452 0.032 20 30 ECEDLO N#Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000026759540 436166528 /nfs/dbraw/zinc/16/65/28/436166528.db2.gz WBVGOULYSPKQIX-UHFFFAOYSA-N 1 2 329.360 0.867 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CN3CCCNC3=O)CC2)cc1 ZINC000075814982 436177106 /nfs/dbraw/zinc/17/71/06/436177106.db2.gz JNYCNQPEXWWCQK-UHFFFAOYSA-N 1 2 341.415 0.618 20 30 ECEDLO C=CC[N@@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1ccccc1 ZINC000027775510 436180949 /nfs/dbraw/zinc/18/09/49/436180949.db2.gz QLGZDPZSBOBERT-UHFFFAOYSA-N 1 2 342.399 0.537 20 30 ECEDLO C=CC[N@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1ccccc1 ZINC000027775510 436180950 /nfs/dbraw/zinc/18/09/50/436180950.db2.gz QLGZDPZSBOBERT-UHFFFAOYSA-N 1 2 342.399 0.537 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029451825 436203371 /nfs/dbraw/zinc/20/33/71/436203371.db2.gz YBBGADBYIQXJRE-CYBMUJFWSA-N 1 2 342.403 0.476 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000076969365 436220994 /nfs/dbraw/zinc/22/09/94/436220994.db2.gz GUBDDOPWJVKYHL-UHFFFAOYSA-N 1 2 343.431 0.992 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000076969365 436220998 /nfs/dbraw/zinc/22/09/98/436220998.db2.gz GUBDDOPWJVKYHL-UHFFFAOYSA-N 1 2 343.431 0.992 20 30 ECEDLO Cc1cccn2cc(CCNc3c(C#N)c(=O)n(C)c(=O)n3C)[nH+]c12 ZINC000080675758 436325593 /nfs/dbraw/zinc/32/55/93/436325593.db2.gz MZHPVBULQMKHRB-UHFFFAOYSA-N 1 2 338.371 0.566 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2C(=O)NCC=C)CC1 ZINC000085271756 436387722 /nfs/dbraw/zinc/38/77/22/436387722.db2.gz GILGKOGUAVWQNE-UHFFFAOYSA-N 1 2 340.427 0.792 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@H]1CNS(C)(=O)=O ZINC000046515981 436396391 /nfs/dbraw/zinc/39/63/91/436396391.db2.gz SLYGSOUPQFVFPN-AWEZNQCLSA-N 1 2 329.466 0.591 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@H]1CNS(C)(=O)=O ZINC000046515981 436396394 /nfs/dbraw/zinc/39/63/94/436396394.db2.gz SLYGSOUPQFVFPN-AWEZNQCLSA-N 1 2 329.466 0.591 20 30 ECEDLO CC(C)C[N@H+](CC(N)=O)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000091538494 436452908 /nfs/dbraw/zinc/45/29/08/436452908.db2.gz MTFKFDCVGOYMEA-HNNXBMFYSA-N 1 2 337.468 0.122 20 30 ECEDLO CC(C)C[N@@H+](CC(N)=O)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000091538494 436452913 /nfs/dbraw/zinc/45/29/13/436452913.db2.gz MTFKFDCVGOYMEA-HNNXBMFYSA-N 1 2 337.468 0.122 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](CC(N)=O)C(C)(C)C)CC1 ZINC000091595259 436454034 /nfs/dbraw/zinc/45/40/34/436454034.db2.gz ZZYPQNAZUNDFQK-CQSZACIVSA-N 1 2 337.468 0.265 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](CC(N)=O)C(C)(C)C)CC1 ZINC000091595259 436454038 /nfs/dbraw/zinc/45/40/38/436454038.db2.gz ZZYPQNAZUNDFQK-CQSZACIVSA-N 1 2 337.468 0.265 20 30 ECEDLO C#CCNC(=O)[C@@H](C)N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000103491844 436555751 /nfs/dbraw/zinc/55/57/51/436555751.db2.gz JTLMCUOFBKNXKW-CABCVRRESA-N 1 2 334.464 0.189 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000103491844 436555755 /nfs/dbraw/zinc/55/57/55/436555755.db2.gz JTLMCUOFBKNXKW-CABCVRRESA-N 1 2 334.464 0.189 20 30 ECEDLO NC(=[NH+]OCc1nc(N)nc(N)n1)c1ccc(N2CCCCC2)nc1 ZINC000058498606 436626791 /nfs/dbraw/zinc/62/67/91/436626791.db2.gz YJZXYRQJXCQGQG-UHFFFAOYSA-N 1 2 343.395 0.258 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(Cc2[nH+]ccn2C)CC1 ZINC000105931160 436588659 /nfs/dbraw/zinc/58/86/59/436588659.db2.gz JEGIMNPAFULORU-QGZVFWFLSA-N 1 2 332.452 0.592 20 30 ECEDLO Cc1cccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c1C#N ZINC000416670829 302013835 /nfs/dbraw/zinc/01/38/35/302013835.db2.gz UTXIAZZJDMOQMP-KGLIPLIRSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cccc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)c1C#N ZINC000416670829 302013838 /nfs/dbraw/zinc/01/38/38/302013838.db2.gz UTXIAZZJDMOQMP-KGLIPLIRSA-N 1 2 337.445 0.942 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2OC)CC1 ZINC000120464083 436687918 /nfs/dbraw/zinc/68/79/18/436687918.db2.gz SXFQMMOSNYARIP-UHFFFAOYSA-N 1 2 328.416 0.987 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2OC)CC1 ZINC000120464083 436687921 /nfs/dbraw/zinc/68/79/21/436687921.db2.gz SXFQMMOSNYARIP-UHFFFAOYSA-N 1 2 328.416 0.987 20 30 ECEDLO C=CCNC(=O)CN1CC[N@@H+](CC(=O)NCC=C)C[C@@H]1[C@@H](C)CC ZINC000269984343 436670328 /nfs/dbraw/zinc/67/03/28/436670328.db2.gz ZYSNDODBKLJDEU-JKSUJKDBSA-N 1 2 336.480 0.623 20 30 ECEDLO C=CCNC(=O)CN1CC[N@H+](CC(=O)NCC=C)C[C@@H]1[C@@H](C)CC ZINC000269984343 436670332 /nfs/dbraw/zinc/67/03/32/436670332.db2.gz ZYSNDODBKLJDEU-JKSUJKDBSA-N 1 2 336.480 0.623 20 30 ECEDLO CC[N@@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)C[C@@H](C)C#N ZINC000066424759 436684983 /nfs/dbraw/zinc/68/49/83/436684983.db2.gz NABPVDIBNZVEIT-ZDUSSCGKSA-N 1 2 332.404 0.648 20 30 ECEDLO CC[N@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)C[C@@H](C)C#N ZINC000066424759 436684985 /nfs/dbraw/zinc/68/49/85/436684985.db2.gz NABPVDIBNZVEIT-ZDUSSCGKSA-N 1 2 332.404 0.648 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000272784851 436721763 /nfs/dbraw/zinc/72/17/63/436721763.db2.gz AFDJFZLZNPYFIA-UHFFFAOYSA-N 1 2 326.422 0.900 20 30 ECEDLO C=CCCOCCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000122618803 436735848 /nfs/dbraw/zinc/73/58/48/436735848.db2.gz JFAVTKNDIMCGBV-UHFFFAOYSA-N 1 2 348.451 0.491 20 30 ECEDLO C=CCNC(=O)CN1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000068744694 436753948 /nfs/dbraw/zinc/75/39/48/436753948.db2.gz XEQMJGJZWUVZNC-UHFFFAOYSA-N 1 2 341.415 0.323 20 30 ECEDLO C#Cc1cccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000069141199 436764238 /nfs/dbraw/zinc/76/42/38/436764238.db2.gz ZPVRVIQKGNIPQM-MRXNPFEDSA-N 1 2 341.411 0.787 20 30 ECEDLO COC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000245556153 436764522 /nfs/dbraw/zinc/76/45/22/436764522.db2.gz IRWHKCWQWZDMSL-LSDHHAIUSA-N 1 2 336.436 0.316 20 30 ECEDLO COC(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000245556153 436764525 /nfs/dbraw/zinc/76/45/25/436764525.db2.gz IRWHKCWQWZDMSL-LSDHHAIUSA-N 1 2 336.436 0.316 20 30 ECEDLO CO/N=C/c1ccc(C(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)cc1 ZINC000125807651 436777308 /nfs/dbraw/zinc/77/73/08/436777308.db2.gz GDDJNWAUXBKVBQ-CPNJWEJPSA-N 1 2 346.431 0.903 20 30 ECEDLO CO/N=C/c1ccc(C(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)cc1 ZINC000125807651 436777309 /nfs/dbraw/zinc/77/73/09/436777309.db2.gz GDDJNWAUXBKVBQ-CPNJWEJPSA-N 1 2 346.431 0.903 20 30 ECEDLO C#CC[N@@H+](CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O)C1CC1 ZINC000274037217 436793657 /nfs/dbraw/zinc/79/36/57/436793657.db2.gz DZKCGWKRMWSPCF-UHFFFAOYSA-N 1 2 332.404 0.066 20 30 ECEDLO C#CC[N@H+](CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O)C1CC1 ZINC000274037217 436793661 /nfs/dbraw/zinc/79/36/61/436793661.db2.gz DZKCGWKRMWSPCF-UHFFFAOYSA-N 1 2 332.404 0.066 20 30 ECEDLO Cc1cc(C)c(C#N)c(N2CC[NH+](CC(=O)N3CCOCC3)CC2)n1 ZINC000247874890 436797533 /nfs/dbraw/zinc/79/75/33/436797533.db2.gz NLRDWCPVSRGILS-UHFFFAOYSA-N 1 2 343.431 0.551 20 30 ECEDLO N#Cc1cc(NC(=O)N(CCO)CC[NH+]2CCOCC2)ccc1F ZINC000129038216 436822186 /nfs/dbraw/zinc/82/21/86/436822186.db2.gz FORMJKDHPBINEJ-UHFFFAOYSA-N 1 2 336.367 0.856 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000127354884 436800772 /nfs/dbraw/zinc/80/07/72/436800772.db2.gz JUEYEPUSMINLOJ-AWEZNQCLSA-N 1 2 331.391 0.650 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000293127548 436851709 /nfs/dbraw/zinc/85/17/09/436851709.db2.gz ZNYLKJOERXJLOY-GOEBONIOSA-N 1 2 334.424 0.462 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000293127548 436851711 /nfs/dbraw/zinc/85/17/11/436851711.db2.gz ZNYLKJOERXJLOY-GOEBONIOSA-N 1 2 334.424 0.462 20 30 ECEDLO C=CCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000132961346 436872517 /nfs/dbraw/zinc/87/25/17/436872517.db2.gz PHFGWWJPKDWKDJ-OAHLLOKOSA-N 1 2 334.482 0.686 20 30 ECEDLO C#CC[NH+](CC#C)CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000157097285 436823923 /nfs/dbraw/zinc/82/39/23/436823923.db2.gz FLQNQYPDHWQTKX-UHFFFAOYSA-N 1 2 338.411 0.931 20 30 ECEDLO C[C@H](c1ccc(C#N)cc1)[N@H+](C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000249838959 436827544 /nfs/dbraw/zinc/82/75/44/436827544.db2.gz UOWURMRDKUTUJC-DOMZBBRYSA-N 1 2 335.429 0.854 20 30 ECEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000249838959 436827547 /nfs/dbraw/zinc/82/75/47/436827547.db2.gz UOWURMRDKUTUJC-DOMZBBRYSA-N 1 2 335.429 0.854 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCc4n[nH]c(=O)cc4C3)C2=O)cc1 ZINC000274818342 436876910 /nfs/dbraw/zinc/87/69/10/436876910.db2.gz AUOWNLZYWQFNGY-MRXNPFEDSA-N 1 2 335.367 0.805 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCc4n[nH]c(=O)cc4C3)C2=O)cc1 ZINC000274818342 436876913 /nfs/dbraw/zinc/87/69/13/436876913.db2.gz AUOWNLZYWQFNGY-MRXNPFEDSA-N 1 2 335.367 0.805 20 30 ECEDLO Cc1cc(C)nc(N2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)n1 ZINC000161934172 436897670 /nfs/dbraw/zinc/89/76/70/436897670.db2.gz QGFQFSUYMGSDBC-OAHLLOKOSA-N 1 2 330.436 0.976 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(OC)c(C#N)c2)CC1 ZINC000134949261 436907004 /nfs/dbraw/zinc/90/70/04/436907004.db2.gz JKFJZOWXBUZIKU-UHFFFAOYSA-N 1 2 328.416 0.987 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(OC)c(C#N)c2)CC1 ZINC000134949261 436907007 /nfs/dbraw/zinc/90/70/07/436907007.db2.gz JKFJZOWXBUZIKU-UHFFFAOYSA-N 1 2 328.416 0.987 20 30 ECEDLO C[C@H](C(=O)N1CCN(c2cc(C#N)ccn2)CC1)[NH+]1CCN(C)CC1 ZINC000263721099 436982072 /nfs/dbraw/zinc/98/20/72/436982072.db2.gz WSRPWGMBHCFNET-OAHLLOKOSA-N 1 2 342.447 0.238 20 30 ECEDLO C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)[nH+]c2C)C1=O ZINC000281446156 436970375 /nfs/dbraw/zinc/97/03/75/436970375.db2.gz MOWBOPGCNDNEMD-CQSZACIVSA-N 1 2 330.388 0.882 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cnn(CC(F)F)c2)CC1 ZINC000275201359 436939223 /nfs/dbraw/zinc/93/92/23/436939223.db2.gz NWENLFHOROUBNS-UHFFFAOYSA-N 1 2 332.376 0.478 20 30 ECEDLO CO/N=C/c1ccc(C(=O)NCC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000264273163 437018572 /nfs/dbraw/zinc/01/85/72/437018572.db2.gz SIGFGGDGOVZDJM-CPNJWEJPSA-N 1 2 332.404 0.561 20 30 ECEDLO COCCN(CCC#N)S(=O)(=O)NCc1cn2ccccc2[nH+]1 ZINC000282835591 437020494 /nfs/dbraw/zinc/02/04/94/437020494.db2.gz MUCWSRYWFYRRJV-UHFFFAOYSA-N 1 2 337.405 0.531 20 30 ECEDLO C=CCCCN(C)C(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000297960581 437021919 /nfs/dbraw/zinc/02/19/19/437021919.db2.gz VQAKUPPQZYYWIM-CQSZACIVSA-N 1 2 339.436 0.507 20 30 ECEDLO C=CCCCN(C)C(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000297960581 437021923 /nfs/dbraw/zinc/02/19/23/437021923.db2.gz VQAKUPPQZYYWIM-CQSZACIVSA-N 1 2 339.436 0.507 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3COCCO3)n2CC(=C)C)CC1 ZINC000282931038 437022494 /nfs/dbraw/zinc/02/24/94/437022494.db2.gz LVAPMIPOPLUYGY-HNNXBMFYSA-N 1 2 331.420 0.697 20 30 ECEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC(=O)N[C@@H](C)C2)c(OC)c1 ZINC000296113422 436983847 /nfs/dbraw/zinc/98/38/47/436983847.db2.gz HCYVMFPWNBYYCT-ZFWWWQNUSA-N 1 2 334.416 0.984 20 30 ECEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC(=O)N[C@@H](C)C2)c(OC)c1 ZINC000296113422 436983849 /nfs/dbraw/zinc/98/38/49/436983849.db2.gz HCYVMFPWNBYYCT-ZFWWWQNUSA-N 1 2 334.416 0.984 20 30 ECEDLO N#Cc1nccnc1N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000263758438 436985111 /nfs/dbraw/zinc/98/51/11/436985111.db2.gz GCCHZCWELNALMD-UHFFFAOYSA-N 1 2 328.420 0.873 20 30 ECEDLO C#CCNS(=O)(=O)c1cccc(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000171756839 436987484 /nfs/dbraw/zinc/98/74/84/436987484.db2.gz HUMGASPQDHAVQA-UHFFFAOYSA-N 1 2 332.385 0.294 20 30 ECEDLO C=CCN(CC=C)C(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000297452480 437007491 /nfs/dbraw/zinc/00/74/91/437007491.db2.gz HJDHSLIICCDHMM-UHFFFAOYSA-N 1 2 329.404 0.634 20 30 ECEDLO COC(=O)C1CCN(C(=O)CO[NH+]=C(N)c2ccc(OC)cc2)CC1 ZINC000298752634 437051494 /nfs/dbraw/zinc/05/14/94/437051494.db2.gz MDVQJMHSGWECMN-UHFFFAOYSA-N 1 2 349.387 0.744 20 30 ECEDLO C=CCN(C)C(=O)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000284439708 437053750 /nfs/dbraw/zinc/05/37/50/437053750.db2.gz LMNJGXBTHUPDOG-ZDUSSCGKSA-N 1 2 332.404 0.567 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000173539718 437054914 /nfs/dbraw/zinc/05/49/14/437054914.db2.gz FQSZYRZEBVGFMT-OAHLLOKOSA-N 1 2 335.429 0.901 20 30 ECEDLO C=CCN(C)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000284597335 437055351 /nfs/dbraw/zinc/05/53/51/437055351.db2.gz XFYIUGXUFUMYLH-INIZCTEOSA-N 1 2 331.416 0.648 20 30 ECEDLO C=CCN(C)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000284597335 437055352 /nfs/dbraw/zinc/05/53/52/437055352.db2.gz XFYIUGXUFUMYLH-INIZCTEOSA-N 1 2 331.416 0.648 20 30 ECEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)[C@@H](C)CC#N ZINC000276098525 437057282 /nfs/dbraw/zinc/05/72/82/437057282.db2.gz ZJGSFDCHEIAUQJ-LBPRGKRZSA-N 1 2 345.403 0.926 20 30 ECEDLO N#Cc1ccnc(N2CC[NH+](CC(=O)NCc3cccnc3)CC2)c1 ZINC000264709682 437069985 /nfs/dbraw/zinc/06/99/85/437069985.db2.gz MCGYKEYRKZSHKH-UHFFFAOYSA-N 1 2 336.399 0.787 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1OC[C@H]2COCC[C@@H]21 ZINC000377956706 303153097 /nfs/dbraw/zinc/15/30/97/303153097.db2.gz YYUGBADAXPXDGR-OWCLPIDISA-N 1 2 337.420 0.112 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2cscn2)CC1 ZINC000264840565 437092049 /nfs/dbraw/zinc/09/20/49/437092049.db2.gz ANRXJZAFBDTMPL-UHFFFAOYSA-N 1 2 334.445 0.359 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2cscn2)CC1 ZINC000264840565 437092052 /nfs/dbraw/zinc/09/20/52/437092052.db2.gz ANRXJZAFBDTMPL-UHFFFAOYSA-N 1 2 334.445 0.359 20 30 ECEDLO NC(=NOCC(=O)NC1CC1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000299721131 437106443 /nfs/dbraw/zinc/10/64/43/437106443.db2.gz WIBYHOBXWOTLGO-UHFFFAOYSA-N 1 2 332.404 0.434 20 30 ECEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@H](O)CN1CCOCC1 ZINC000177356324 437180463 /nfs/dbraw/zinc/18/04/63/437180463.db2.gz XXEMMYCJFTXHBU-INIZCTEOSA-N 1 2 332.404 0.122 20 30 ECEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@H](O)CN1CCOCC1 ZINC000177356324 437180467 /nfs/dbraw/zinc/18/04/67/437180467.db2.gz XXEMMYCJFTXHBU-INIZCTEOSA-N 1 2 332.404 0.122 20 30 ECEDLO C[C@@]([NH2+]CC(=O)NCC#N)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177376442 437181126 /nfs/dbraw/zinc/18/11/26/437181126.db2.gz IPIOZTJKCPKENT-ZDUSSCGKSA-N 1 2 328.294 0.635 20 30 ECEDLO Cc1[nH]c(C#N)cc1C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000331940024 437183754 /nfs/dbraw/zinc/18/37/54/437183754.db2.gz NYXANLHUPVAALN-CQSZACIVSA-N 1 2 343.431 0.964 20 30 ECEDLO C#CCNC(=O)[C@H](C)ON=C(N)c1cccc(C[NH+]2CCOCC2)c1 ZINC000178155667 437208013 /nfs/dbraw/zinc/20/80/13/437208013.db2.gz MCJRYMFOKSEBPB-AWEZNQCLSA-N 1 2 344.415 0.294 20 30 ECEDLO Cn1cc[nH+]c1[C@@H]1CN(S(=O)(=O)c2cncc(C#N)c2)CCN1C ZINC000332383844 437217490 /nfs/dbraw/zinc/21/74/90/437217490.db2.gz XLVHCIKMXCYHJO-AWEZNQCLSA-N 1 2 346.416 0.364 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cn1cc(Cl)cn1 ZINC000287720180 437225340 /nfs/dbraw/zinc/22/53/40/437225340.db2.gz RJRKEBJYVWYTRL-UHFFFAOYSA-N 1 2 325.800 0.611 20 30 ECEDLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2C)CC1 ZINC000178820937 437231415 /nfs/dbraw/zinc/23/14/15/437231415.db2.gz YWFPRAJBOLHNJV-OAHLLOKOSA-N 1 2 337.445 0.944 20 30 ECEDLO N#Cc1cc(NC(=O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)ccc1Cl ZINC000178958442 437242449 /nfs/dbraw/zinc/24/24/49/437242449.db2.gz DUTLRPWINNTVDW-CYBMUJFWSA-N 1 2 347.806 0.266 20 30 ECEDLO CCOC(=O)CO/N=C(/C(=O)N[C@H](C)Cn1cc[nH+]c1)c1cc[nH]n1 ZINC000277765556 437251702 /nfs/dbraw/zinc/25/17/02/437251702.db2.gz DILYBAQPWHIOAL-OHARDZCESA-N 1 2 348.363 0.095 20 30 ECEDLO CCN1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000332937428 437254788 /nfs/dbraw/zinc/25/47/88/437254788.db2.gz OBFYRXNSUMYFPB-YOEHRIQHSA-N 1 2 330.436 0.897 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1)C1CC1 ZINC000333021508 437256840 /nfs/dbraw/zinc/25/68/40/437256840.db2.gz BEUGCNHEYXAMQH-SJCJKPOMSA-N 1 2 328.420 1.047 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1)C1CC1 ZINC000333021508 437256843 /nfs/dbraw/zinc/25/68/43/437256843.db2.gz BEUGCNHEYXAMQH-SJCJKPOMSA-N 1 2 328.420 1.047 20 30 ECEDLO O=C(NCc1ccc[nH+]c1N1CCOCC1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328755925 437260058 /nfs/dbraw/zinc/26/00/58/437260058.db2.gz TXOFAYQFDGCUTD-GASCZTMLSA-N 1 2 348.403 0.432 20 30 ECEDLO CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000329010635 437303441 /nfs/dbraw/zinc/30/34/41/437303441.db2.gz ZPIFHYYIKHAYIO-RYUDHWBXSA-N 1 2 342.465 0.958 20 30 ECEDLO CN(C)C(=O)c1cc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)ccn1 ZINC000329025847 437304415 /nfs/dbraw/zinc/30/44/15/437304415.db2.gz NWDMCGOVPZNJJC-GJZGRUSLSA-N 1 2 347.419 0.734 20 30 ECEDLO CN(C)C(=O)c1cc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)ccn1 ZINC000329025847 437304418 /nfs/dbraw/zinc/30/44/18/437304418.db2.gz NWDMCGOVPZNJJC-GJZGRUSLSA-N 1 2 347.419 0.734 20 30 ECEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1COCCN1C ZINC000329028702 437305079 /nfs/dbraw/zinc/30/50/79/437305079.db2.gz KNNZONJMTYZBED-MELADBBJSA-N 1 2 339.415 0.620 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000181185838 437311877 /nfs/dbraw/zinc/31/18/77/437311877.db2.gz LVMWJMDOUGNXFY-UHFFFAOYSA-N 1 2 336.359 0.525 20 30 ECEDLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000329073552 437312650 /nfs/dbraw/zinc/31/26/50/437312650.db2.gz AXQUSNRYSHCBFV-UPJWGTAASA-N 1 2 338.412 0.120 20 30 ECEDLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000329073552 437312656 /nfs/dbraw/zinc/31/26/56/437312656.db2.gz AXQUSNRYSHCBFV-UPJWGTAASA-N 1 2 338.412 0.120 20 30 ECEDLO CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000329073552 437312660 /nfs/dbraw/zinc/31/26/60/437312660.db2.gz AXQUSNRYSHCBFV-UPJWGTAASA-N 1 2 338.412 0.120 20 30 ECEDLO CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000329073552 437312664 /nfs/dbraw/zinc/31/26/64/437312664.db2.gz AXQUSNRYSHCBFV-UPJWGTAASA-N 1 2 338.412 0.120 20 30 ECEDLO C[N@H+](CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCSC1 ZINC000328841190 437271617 /nfs/dbraw/zinc/27/16/17/437271617.db2.gz PIHUXJVXJIGUNS-ZJUUUORDSA-N 1 2 335.451 0.481 20 30 ECEDLO C[N@@H+](CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCSC1 ZINC000328841190 437271622 /nfs/dbraw/zinc/27/16/22/437271622.db2.gz PIHUXJVXJIGUNS-ZJUUUORDSA-N 1 2 335.451 0.481 20 30 ECEDLO Cc1nn(C)c(C)c1CCNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328880276 437277214 /nfs/dbraw/zinc/27/72/14/437277214.db2.gz LSZZKQOLGDRCTE-CVEARBPZSA-N 1 2 335.452 0.898 20 30 ECEDLO Cc1nn(C)c(C)c1CCNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328880276 437277217 /nfs/dbraw/zinc/27/72/17/437277217.db2.gz LSZZKQOLGDRCTE-CVEARBPZSA-N 1 2 335.452 0.898 20 30 ECEDLO N#CC1(C[N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CCC1 ZINC000333652634 437280337 /nfs/dbraw/zinc/28/03/37/437280337.db2.gz FFYLTZITYMPMGY-CQSZACIVSA-N 1 2 327.450 0.807 20 30 ECEDLO N#CC1(C[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CCC1 ZINC000333652634 437280341 /nfs/dbraw/zinc/28/03/41/437280341.db2.gz FFYLTZITYMPMGY-CQSZACIVSA-N 1 2 327.450 0.807 20 30 ECEDLO C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328898310 437281432 /nfs/dbraw/zinc/28/14/32/437281432.db2.gz WOIHWTWWXDSULZ-KBXIAJHMSA-N 1 2 327.425 0.499 20 30 ECEDLO C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328898310 437281437 /nfs/dbraw/zinc/28/14/37/437281437.db2.gz WOIHWTWWXDSULZ-KBXIAJHMSA-N 1 2 327.425 0.499 20 30 ECEDLO N#Cc1ncn(CC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)n1 ZINC000328934498 437288220 /nfs/dbraw/zinc/28/82/20/437288220.db2.gz QBRUMCRZMJLLHF-UHFFFAOYSA-N 1 2 345.407 0.051 20 30 ECEDLO CC(C)N1C(=O)N[C@@H]2CN(C(=O)NCC[NH+]3CCOCC3)CC[C@@H]21 ZINC000328991824 437298051 /nfs/dbraw/zinc/29/80/51/437298051.db2.gz SOQPDVHFLSQZCZ-KGLIPLIRSA-N 1 2 339.440 0.314 20 30 ECEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccnc(N(C)C)n1 ZINC000329254958 437341038 /nfs/dbraw/zinc/34/10/38/437341038.db2.gz DFFVWXAKKOVQPG-HIFRSBDPSA-N 1 2 348.451 0.752 20 30 ECEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)c1cccnc1C#N ZINC000278853125 437349337 /nfs/dbraw/zinc/34/93/37/437349337.db2.gz XALYXNAWQMEBPD-UHFFFAOYSA-N 1 2 338.433 0.685 20 30 ECEDLO CN(CC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)c1cccnc1C#N ZINC000278853125 437349343 /nfs/dbraw/zinc/34/93/43/437349343.db2.gz XALYXNAWQMEBPD-UHFFFAOYSA-N 1 2 338.433 0.685 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000278859038 437349660 /nfs/dbraw/zinc/34/96/60/437349660.db2.gz ABKNFQFIRPWHDX-GFCCVEGCSA-N 1 2 348.378 0.815 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCO[C@H]3CCC[C@@H]32)CC1 ZINC000329341146 437355348 /nfs/dbraw/zinc/35/53/48/437355348.db2.gz ZQCYEPLHRXWJRY-ULQDDVLXSA-N 1 2 334.464 0.932 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCO[C@H]3CCC[C@@H]32)CC1 ZINC000329341146 437355350 /nfs/dbraw/zinc/35/53/50/437355350.db2.gz ZQCYEPLHRXWJRY-ULQDDVLXSA-N 1 2 334.464 0.932 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337403679 437360143 /nfs/dbraw/zinc/36/01/43/437360143.db2.gz LSWUJHFRYLBNJS-NEPJUHHUSA-N 1 2 331.438 0.286 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337403679 437360148 /nfs/dbraw/zinc/36/01/48/437360148.db2.gz LSWUJHFRYLBNJS-NEPJUHHUSA-N 1 2 331.438 0.286 20 30 ECEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2C[C@@H](O)[C@H](O)C2)c1 ZINC000278960066 437360550 /nfs/dbraw/zinc/36/05/50/437360550.db2.gz ZOCRUGWTXCTAMB-USXIJHARSA-N 1 2 331.416 0.976 20 30 ECEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)C1 ZINC000329139109 437325127 /nfs/dbraw/zinc/32/51/27/437325127.db2.gz IUXUBOSOELVQBA-UKRRQHHQSA-N 1 2 338.452 0.754 20 30 ECEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)C1 ZINC000329139109 437325132 /nfs/dbraw/zinc/32/51/32/437325132.db2.gz IUXUBOSOELVQBA-UKRRQHHQSA-N 1 2 338.452 0.754 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000337082855 437328067 /nfs/dbraw/zinc/32/80/67/437328067.db2.gz AZQKALULGJQXFD-CYBMUJFWSA-N 1 2 347.444 1.573 20 30 ECEDLO C[C@@H]1C(=O)NCCN1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000329165231 437328504 /nfs/dbraw/zinc/32/85/04/437328504.db2.gz HGALDYSITNKLAP-GFCCVEGCSA-N 1 2 333.392 0.993 20 30 ECEDLO Cn1cc[nH+]c1CNC(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000329180384 437330928 /nfs/dbraw/zinc/33/09/28/437330928.db2.gz NAMDZCCLFIBTBQ-UHFFFAOYSA-N 1 2 328.376 0.687 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(CCC(C)C)n2C)CC1 ZINC000337812151 437381159 /nfs/dbraw/zinc/38/11/59/437381159.db2.gz LPJDTZGSQFZLRP-UHFFFAOYSA-N 1 2 334.468 0.828 20 30 ECEDLO Cc1oc(C#N)cc1-c1nc(CC(=O)NCC[NH+]2CCOCC2)no1 ZINC000289208692 437388384 /nfs/dbraw/zinc/38/83/84/437388384.db2.gz RPHYOOFWYSZGGR-UHFFFAOYSA-N 1 2 345.359 0.501 20 30 ECEDLO CC(C)C(=O)N1CCC(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000329620692 437392663 /nfs/dbraw/zinc/39/26/63/437392663.db2.gz RIIISHHULGALQZ-GJZGRUSLSA-N 1 2 338.452 0.562 20 30 ECEDLO CC(C)C(=O)N1CCC(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000329620692 437392666 /nfs/dbraw/zinc/39/26/66/437392666.db2.gz RIIISHHULGALQZ-GJZGRUSLSA-N 1 2 338.452 0.562 20 30 ECEDLO CO[C@]1(CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)CCOC1 ZINC000329697873 437402407 /nfs/dbraw/zinc/40/24/07/437402407.db2.gz CMBSZJYLOCABTC-KRWDZBQOSA-N 1 2 334.420 0.966 20 30 ECEDLO COCC1(CNC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)CCOCC1 ZINC000330205333 437469576 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0.911 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000366104969 438019267 /nfs/dbraw/zinc/01/92/67/438019267.db2.gz SIEGZRJDWCQPLK-OAHLLOKOSA-N 1 2 343.493 0.911 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)CC2CCCC2)CC1 ZINC000366298025 438049314 /nfs/dbraw/zinc/04/93/14/438049314.db2.gz FOIMTLDITLFVHY-UHFFFAOYSA-N 1 2 341.477 0.264 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)CC2CCCC2)CC1 ZINC000366298025 438049318 /nfs/dbraw/zinc/04/93/18/438049318.db2.gz FOIMTLDITLFVHY-UHFFFAOYSA-N 1 2 341.477 0.264 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000371850812 438002103 /nfs/dbraw/zinc/00/21/03/438002103.db2.gz YTMRCRXBUGTJDI-OAHLLOKOSA-N 1 2 343.427 0.981 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000371850812 438002106 /nfs/dbraw/zinc/00/21/06/438002106.db2.gz YTMRCRXBUGTJDI-OAHLLOKOSA-N 1 2 343.427 0.981 20 30 ECEDLO CCN1CCN(C(=O)Nc2ccn(CCC#N)n2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000432292392 438188937 /nfs/dbraw/zinc/18/89/37/438188937.db2.gz UPZRDKPDUKMHRW-CYBMUJFWSA-N 1 2 342.407 1.431 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(c3cc(C)nn3C)C2=O)C1=O ZINC000374178424 438194118 /nfs/dbraw/zinc/19/41/18/438194118.db2.gz YZFKANGOPPFVOU-KBPBESRZSA-N 1 2 331.420 0.553 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(c3cc(C)nn3C)C2=O)C1=O ZINC000374178424 438194122 /nfs/dbraw/zinc/19/41/22/438194122.db2.gz YZFKANGOPPFVOU-KBPBESRZSA-N 1 2 331.420 0.553 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCc2nn(C(C)C)c(=O)cc2C1 ZINC000375879616 438265185 /nfs/dbraw/zinc/26/51/85/438265185.db2.gz INMVDLWICFAPPK-GFCCVEGCSA-N 1 2 347.419 0.583 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCc2nn(C(C)C)c(=O)cc2C1 ZINC000375879616 438265188 /nfs/dbraw/zinc/26/51/88/438265188.db2.gz INMVDLWICFAPPK-GFCCVEGCSA-N 1 2 347.419 0.583 20 30 ECEDLO CO/N=C/C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000376173453 438272191 /nfs/dbraw/zinc/27/21/91/438272191.db2.gz LGIIWRQLWIQOLJ-VVBXCHJUSA-N 1 2 340.424 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/nfs/dbraw/zinc/42/77/68/438427768.db2.gz KFTNNLCHZPEQDN-UHFFFAOYSA-N 1 2 329.447 0.761 20 30 ECEDLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)NCC#CCO)c1 ZINC000352181666 438396000 /nfs/dbraw/zinc/39/60/00/438396000.db2.gz GTQSODDUNRDBEW-UHFFFAOYSA-N 1 2 326.356 0.637 20 30 ECEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(=O)n(C)c(=O)n1C ZINC000352800666 438477302 /nfs/dbraw/zinc/47/73/02/438477302.db2.gz PLMFKPIJZDKQOG-UHFFFAOYSA-N 1 2 333.388 0.748 20 30 ECEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(=O)n(C)c(=O)n1C ZINC000352800666 438477305 /nfs/dbraw/zinc/47/73/05/438477305.db2.gz PLMFKPIJZDKQOG-UHFFFAOYSA-N 1 2 333.388 0.748 20 30 ECEDLO C[C@@H](O)CNc1[nH+]c2ccccc2n1CC(=O)NC1(C#N)CCC1 ZINC000438919815 438491859 /nfs/dbraw/zinc/49/18/59/438491859.db2.gz OJZHEZFSRPNCQX-GFCCVEGCSA-N 1 2 327.388 1.391 20 30 ECEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCOC[C@@H]3CC(N)=O)C2=O)cc1 ZINC000452082859 438636486 /nfs/dbraw/zinc/63/64/86/438636486.db2.gz KTQUNUGMAABVBM-HOTGVXAUSA-N 1 2 342.399 0.630 20 30 ECEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCOC[C@@H]3CC(N)=O)C2=O)cc1 ZINC000452082859 438636489 /nfs/dbraw/zinc/63/64/89/438636489.db2.gz KTQUNUGMAABVBM-HOTGVXAUSA-N 1 2 342.399 0.630 20 30 ECEDLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(F)cc1C#N ZINC000443076325 438640555 /nfs/dbraw/zinc/64/05/55/438640555.db2.gz JXOUHTSQLZELEJ-CYBMUJFWSA-N 1 2 326.397 0.221 20 30 ECEDLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(F)cc1C#N ZINC000443076325 438640558 /nfs/dbraw/zinc/64/05/58/438640558.db2.gz JXOUHTSQLZELEJ-CYBMUJFWSA-N 1 2 326.397 0.221 20 30 ECEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000451888835 438611477 /nfs/dbraw/zinc/61/14/77/438611477.db2.gz JJLNSZRONRZNDX-OKILXGFUSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000451888835 438611478 /nfs/dbraw/zinc/61/14/78/438611478.db2.gz JJLNSZRONRZNDX-OKILXGFUSA-N 1 2 337.445 0.942 20 30 ECEDLO CCOC(=O)[C@@H](CC)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000412137445 438684925 /nfs/dbraw/zinc/68/49/25/438684925.db2.gz WSKXOVTVHJLUSD-AWEZNQCLSA-N 1 2 325.409 0.650 20 30 ECEDLO CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1 ZINC000451312680 438698582 /nfs/dbraw/zinc/69/85/82/438698582.db2.gz LGVARJGLOCQIKU-UHFFFAOYSA-N 1 2 342.465 0.106 20 30 ECEDLO C[N@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000414101219 438699762 /nfs/dbraw/zinc/69/97/62/438699762.db2.gz TUGBPKQVMSGCCL-YOEHRIQHSA-N 1 2 330.388 0.660 20 30 ECEDLO C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000414101219 438699764 /nfs/dbraw/zinc/69/97/64/438699764.db2.gz TUGBPKQVMSGCCL-YOEHRIQHSA-N 1 2 330.388 0.660 20 30 ECEDLO Cc1ccc([C@]2(C)NC(=O)N(C[C@@H](O)C[N@H+](C)CCC#N)C2=O)o1 ZINC000414156606 438700072 /nfs/dbraw/zinc/70/00/72/438700072.db2.gz VAVJCVBYCIGXDB-LRDDRELGSA-N 1 2 334.376 0.561 20 30 ECEDLO Cc1ccc([C@]2(C)NC(=O)N(C[C@@H](O)C[N@@H+](C)CCC#N)C2=O)o1 ZINC000414156606 438700075 /nfs/dbraw/zinc/70/00/75/438700075.db2.gz VAVJCVBYCIGXDB-LRDDRELGSA-N 1 2 334.376 0.561 20 30 ECEDLO C[N@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O ZINC000414115161 438700130 /nfs/dbraw/zinc/70/01/30/438700130.db2.gz USERAJYISXRFPE-YOEHRIQHSA-N 1 2 348.378 0.799 20 30 ECEDLO C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O ZINC000414115161 438700134 /nfs/dbraw/zinc/70/01/34/438700134.db2.gz USERAJYISXRFPE-YOEHRIQHSA-N 1 2 348.378 0.799 20 30 ECEDLO CO[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H]1O ZINC000451755702 438713358 /nfs/dbraw/zinc/71/33/58/438713358.db2.gz FQPVDLAKHWOLDO-HUUCEWRRSA-N 1 2 341.371 0.374 20 30 ECEDLO CO[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H]1O ZINC000451755702 438713361 /nfs/dbraw/zinc/71/33/61/438713361.db2.gz FQPVDLAKHWOLDO-HUUCEWRRSA-N 1 2 341.371 0.374 20 30 ECEDLO C[C@@H](C#N)CNC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495106730 438718478 /nfs/dbraw/zinc/71/84/78/438718478.db2.gz SDMZOJVBOBRIHE-STQMWFEESA-N 1 2 339.440 0.996 20 30 ECEDLO C[C@@H](C#N)CNC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495106730 438718479 /nfs/dbraw/zinc/71/84/79/438718479.db2.gz SDMZOJVBOBRIHE-STQMWFEESA-N 1 2 339.440 0.996 20 30 ECEDLO Cc1cc(C#N)nc(N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)n1 ZINC000553494080 438752753 /nfs/dbraw/zinc/75/27/53/438752753.db2.gz AUFHRKMQCIZUDG-ZDUSSCGKSA-N 1 2 325.376 0.993 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1cnn2c1CCCC2 ZINC000601023291 438812032 /nfs/dbraw/zinc/81/20/32/438812032.db2.gz BMJNRQVAKUWXBC-UHFFFAOYSA-N 1 2 345.447 0.836 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000601453357 438899397 /nfs/dbraw/zinc/89/93/97/438899397.db2.gz SAFGGTVYRZUPEY-KGLIPLIRSA-N 1 2 344.481 0.556 20 30 ECEDLO CC1(C)[C@H](NS(=O)(=O)CC2(C#N)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000601451781 438900838 /nfs/dbraw/zinc/90/08/38/438900838.db2.gz AKKCJIFDEICGEX-OLZOCXBDSA-N 1 2 327.450 0.709 20 30 ECEDLO CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C1 ZINC000563220825 438859251 /nfs/dbraw/zinc/85/92/51/438859251.db2.gz VYEQXLZCSRSUOS-TZMCWYRMSA-N 1 2 330.454 0.008 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCc2c(cccc2C(N)=O)C1)C1CC1 ZINC000595902117 438881354 /nfs/dbraw/zinc/88/13/54/438881354.db2.gz GRDPTLXHOPJMCC-SFHVURJKSA-N 1 2 326.400 0.952 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCc2c(cccc2C(N)=O)C1)C1CC1 ZINC000595902117 438881357 /nfs/dbraw/zinc/88/13/57/438881357.db2.gz GRDPTLXHOPJMCC-SFHVURJKSA-N 1 2 326.400 0.952 20 30 ECEDLO N#Cc1cc(F)ccc1S(=O)(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000601418625 438884869 /nfs/dbraw/zinc/88/48/69/438884869.db2.gz XGMXHAXABDLPRH-UHFFFAOYSA-N 1 2 339.392 0.650 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596062860 438921072 /nfs/dbraw/zinc/92/10/72/438921072.db2.gz MYFGUDKHIXKBMA-UHFFFAOYSA-N 1 2 347.375 0.118 20 30 ECEDLO N#Cc1cnnc(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000596099006 438926024 /nfs/dbraw/zinc/92/60/24/438926024.db2.gz WCZFPQCEMPRQGU-UHFFFAOYSA-N 1 2 337.387 0.894 20 30 ECEDLO N#Cc1cnnc(N2CC[NH+](CC(=O)NC3CCCCC3)CC2)c1 ZINC000596112142 438926923 /nfs/dbraw/zinc/92/69/23/438926923.db2.gz HXBLLEHQNICHDP-UHFFFAOYSA-N 1 2 328.420 0.919 20 30 ECEDLO C=C(C)CCNC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000458994368 438935853 /nfs/dbraw/zinc/93/58/53/438935853.db2.gz FTADWJXDVVNYIY-HNNXBMFYSA-N 1 2 338.452 0.527 20 30 ECEDLO C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1=O ZINC000579550344 439017997 /nfs/dbraw/zinc/01/79/97/439017997.db2.gz ZWDKHEPBRSVYIS-ZDUSSCGKSA-N 1 2 341.371 0.518 20 30 ECEDLO CO[C@@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)[C@@H]1CCOC1 ZINC000597023722 439030636 /nfs/dbraw/zinc/03/06/36/439030636.db2.gz ZKGXBJNJIPMIFU-HUUCEWRRSA-N 1 2 325.409 0.112 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CC1(C#N)CCOCC1 ZINC000597023689 439030696 /nfs/dbraw/zinc/03/06/96/439030696.db2.gz YOAJOSLEJKHJAV-UHFFFAOYSA-N 1 2 334.420 0.771 20 30 ECEDLO CCOC(=O)C[N@@H+]1CCCN(C(=O)CC2(C#N)CCOCC2)CC1 ZINC000597058518 439034490 /nfs/dbraw/zinc/03/44/90/439034490.db2.gz KSZBKTAJOZISCH-UHFFFAOYSA-N 1 2 337.420 0.794 20 30 ECEDLO CCOC(=O)C[N@H+]1CCCN(C(=O)CC2(C#N)CCOCC2)CC1 ZINC000597058518 439034495 /nfs/dbraw/zinc/03/44/95/439034495.db2.gz KSZBKTAJOZISCH-UHFFFAOYSA-N 1 2 337.420 0.794 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000566306378 439040334 /nfs/dbraw/zinc/04/03/34/439040334.db2.gz NQNINXACIZEBLI-SFHVURJKSA-N 1 2 339.399 0.916 20 30 ECEDLO C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000580464141 439093852 /nfs/dbraw/zinc/09/38/52/439093852.db2.gz KKCKAPLREXZUGW-MNOVXSKESA-N 1 2 347.400 0.826 20 30 ECEDLO C=CCn1cc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)nn1 ZINC000591771494 439083027 /nfs/dbraw/zinc/08/30/27/439083027.db2.gz LHOUTMVNFPDYJT-UHFFFAOYSA-N 1 2 331.401 0.899 20 30 ECEDLO CN(CCCNC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592148594 439166601 /nfs/dbraw/zinc/16/66/01/439166601.db2.gz XHDSENMLXNWSSA-SFHVURJKSA-N 1 2 330.432 0.980 20 30 ECEDLO CN(CCCNC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592148594 439166603 /nfs/dbraw/zinc/16/66/03/439166603.db2.gz XHDSENMLXNWSSA-SFHVURJKSA-N 1 2 330.432 0.980 20 30 ECEDLO CO[C@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@](C)(CO)C1 ZINC000602963418 439170908 /nfs/dbraw/zinc/17/09/08/439170908.db2.gz FRPPYWFFQXPNIH-GDBMZVCRSA-N 1 2 338.429 0.804 20 30 ECEDLO CO[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@](C)(CO)C1 ZINC000602963418 439170912 /nfs/dbraw/zinc/17/09/12/439170912.db2.gz FRPPYWFFQXPNIH-GDBMZVCRSA-N 1 2 338.429 0.804 20 30 ECEDLO C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC)CC1 ZINC000567282918 439130812 /nfs/dbraw/zinc/13/08/12/439130812.db2.gz PKWZVWSNSDHXPV-ZDUSSCGKSA-N 1 2 339.465 0.508 20 30 ECEDLO N#Cc1cncn(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1=O ZINC000567283389 439131433 /nfs/dbraw/zinc/13/14/33/439131433.db2.gz HUWSUJIALQKCJY-UHFFFAOYSA-N 1 2 343.412 0.521 20 30 ECEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)C1 ZINC000602858481 439146774 /nfs/dbraw/zinc/14/67/74/439146774.db2.gz BKWXQEGYKQBBIR-IIAWOOMASA-N 1 2 335.452 0.032 20 30 ECEDLO COCC[NH+]1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)CC1 ZINC000567769799 439175972 /nfs/dbraw/zinc/17/59/72/439175972.db2.gz ORNCBFPVMXVLFD-UHFFFAOYSA-N 1 2 337.445 0.846 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000592202875 439179315 /nfs/dbraw/zinc/17/93/15/439179315.db2.gz PWKXNAJIRMMDMF-HUUCEWRRSA-N 1 2 331.372 0.030 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000592202875 439179319 /nfs/dbraw/zinc/17/93/19/439179319.db2.gz PWKXNAJIRMMDMF-HUUCEWRRSA-N 1 2 331.372 0.030 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000592199490 439179706 /nfs/dbraw/zinc/17/97/06/439179706.db2.gz QRMNIIAPDHXZHY-ZIAGYGMSSA-N 1 2 342.355 0.964 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000592199490 439179709 /nfs/dbraw/zinc/17/97/09/439179709.db2.gz QRMNIIAPDHXZHY-ZIAGYGMSSA-N 1 2 342.355 0.964 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000592201615 439181590 /nfs/dbraw/zinc/18/15/90/439181590.db2.gz XXQNJXDUYFXWDC-VNQPRFMTSA-N 1 2 343.383 0.519 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000592201615 439181594 /nfs/dbraw/zinc/18/15/94/439181594.db2.gz XXQNJXDUYFXWDC-VNQPRFMTSA-N 1 2 343.383 0.519 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2ccsc2C(=O)OC)nn1 ZINC000603193127 439207124 /nfs/dbraw/zinc/20/71/24/439207124.db2.gz NFLNDLRTYAJDTM-UHFFFAOYSA-N 1 2 347.400 0.878 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000568275482 439233746 /nfs/dbraw/zinc/23/37/46/439233746.db2.gz XZGDINYVTWEFKT-MRXNPFEDSA-N 1 2 348.359 0.869 20 30 ECEDLO C[C@@H](CC#N)C(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000598362475 439256124 /nfs/dbraw/zinc/25/61/24/439256124.db2.gz ANZCFVCERQBWSB-YJBOKZPZSA-N 1 2 331.416 0.916 20 30 ECEDLO C[C@@H](CC#N)C(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000598362475 439256131 /nfs/dbraw/zinc/25/61/31/439256131.db2.gz ANZCFVCERQBWSB-YJBOKZPZSA-N 1 2 331.416 0.916 20 30 ECEDLO COCCCS(=O)(=O)N1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598595843 439284650 /nfs/dbraw/zinc/28/46/50/439284650.db2.gz WVKVEJLBAFGLFV-CQSZACIVSA-N 1 2 347.481 0.271 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2cccc(S(C)(=O)=O)c2)CC1 ZINC000491071090 439327267 /nfs/dbraw/zinc/32/72/67/439327267.db2.gz IAKMIHFJKYKTAU-UHFFFAOYSA-N 1 2 336.413 0.246 20 30 ECEDLO CC(=O)N1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@H](C)C1 ZINC000528404877 439332342 /nfs/dbraw/zinc/33/23/42/439332342.db2.gz OFEYWEKLJOSKMU-CQSZACIVSA-N 1 2 339.395 0.839 20 30 ECEDLO CC(=O)N1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@H](C)C1 ZINC000528404877 439332345 /nfs/dbraw/zinc/33/23/45/439332345.db2.gz OFEYWEKLJOSKMU-CQSZACIVSA-N 1 2 339.395 0.839 20 30 ECEDLO CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000598607588 439287546 /nfs/dbraw/zinc/28/75/46/439287546.db2.gz BCMXOTGNONVEBQ-GFCCVEGCSA-N 1 2 341.437 0.017 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2c(C)nnc2-c2cccc(C#N)c2)CC1 ZINC000490763832 439295396 /nfs/dbraw/zinc/29/53/96/439295396.db2.gz XETLJLHZMAKTKC-UHFFFAOYSA-N 1 2 348.410 0.903 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(CC(=O)OCC)c2)CC1 ZINC000490799620 439299974 /nfs/dbraw/zinc/29/99/74/439299974.db2.gz ISVBWDHPSXSIKQ-UHFFFAOYSA-N 1 2 343.427 0.982 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(Cl)cc2C(N)=O)CC1 ZINC000490800012 439300679 /nfs/dbraw/zinc/30/06/79/439300679.db2.gz LEYQQTDFGNMEQD-UHFFFAOYSA-N 1 2 335.791 0.595 20 30 ECEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Cc2ccc(C#N)nc2)CC1 ZINC000527755595 439302617 /nfs/dbraw/zinc/30/26/17/439302617.db2.gz HWHISUHVVAQDSJ-CYBMUJFWSA-N 1 2 341.415 0.307 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCc3cc(OC)c(F)cc3C2)CC1 ZINC000490917950 439311184 /nfs/dbraw/zinc/31/11/84/439311184.db2.gz ZYCKAXRRIMVMFJ-UHFFFAOYSA-N 1 2 345.418 0.970 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CCCC3)C2=O)CC1 ZINC000491191497 439346618 /nfs/dbraw/zinc/34/66/18/439346618.db2.gz DUPPDANJMYRQGD-SFHVURJKSA-N 1 2 346.431 0.265 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000582581524 439351943 /nfs/dbraw/zinc/35/19/43/439351943.db2.gz RAXGTBFBSRWBFG-HNNXBMFYSA-N 1 2 335.408 0.201 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC000582581525 439352701 /nfs/dbraw/zinc/35/27/01/439352701.db2.gz RAXGTBFBSRWBFG-OAHLLOKOSA-N 1 2 335.408 0.201 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+](CCCO)Cc2ccccn2)CC1 ZINC000491219810 439352771 /nfs/dbraw/zinc/35/27/71/439352771.db2.gz HLRYIZLZGOZMOQ-UHFFFAOYSA-N 1 2 330.432 0.043 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+](CCCO)Cc2ccccn2)CC1 ZINC000491219810 439352776 /nfs/dbraw/zinc/35/27/76/439352776.db2.gz HLRYIZLZGOZMOQ-UHFFFAOYSA-N 1 2 330.432 0.043 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000491241077 439354756 /nfs/dbraw/zinc/35/47/56/439354756.db2.gz GQPGCZOQWYGBAI-KBPBESRZSA-N 1 2 325.430 0.842 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000491241077 439354761 /nfs/dbraw/zinc/35/47/61/439354761.db2.gz GQPGCZOQWYGBAI-KBPBESRZSA-N 1 2 325.430 0.842 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1ncc([N+](=O)[O-])cc1C#N ZINC000599131763 439367921 /nfs/dbraw/zinc/36/79/21/439367921.db2.gz SSMICZMPFCSXGF-MRXNPFEDSA-N 1 2 347.375 0.889 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1ncc([N+](=O)[O-])cc1C#N ZINC000599131763 439367927 /nfs/dbraw/zinc/36/79/27/439367927.db2.gz SSMICZMPFCSXGF-MRXNPFEDSA-N 1 2 347.375 0.889 20 30 ECEDLO N#Cc1nccc(NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)n1 ZINC000569863362 439371471 /nfs/dbraw/zinc/37/14/71/439371471.db2.gz WHNNKQANKPSHHP-UHFFFAOYSA-N 1 2 337.387 0.479 20 30 ECEDLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593554192 439403010 /nfs/dbraw/zinc/40/30/10/439403010.db2.gz SSRNSGPRCONURD-UHFFFAOYSA-N 1 2 329.447 0.697 20 30 ECEDLO CN(CCCc1[nH]nc(N)c1C#N)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593560858 439405586 /nfs/dbraw/zinc/40/55/86/439405586.db2.gz RRQDBQUIZQBLFA-UHFFFAOYSA-N 1 2 341.419 1.030 20 30 ECEDLO CC[C@H](C#N)C(=O)N[C@H](C(=O)NCC[NH+]1CCOCC1)[C@@H](C)CC ZINC000593461549 439384914 /nfs/dbraw/zinc/38/49/14/439384914.db2.gz QVSAWSVQPIOOSD-ZNMIVQPWSA-N 1 2 338.452 0.515 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2nccn2-c2ccccc2)CC1 ZINC000491474491 439388765 /nfs/dbraw/zinc/38/87/65/439388765.db2.gz NFKQABRQYQQACL-UHFFFAOYSA-N 1 2 337.427 0.739 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3nnn(C)c3C)n2CC(C)C)CC1 ZINC000491654739 439418590 /nfs/dbraw/zinc/41/85/90/439418590.db2.gz QCIRJKULVZMKQW-UHFFFAOYSA-N 1 2 342.451 0.793 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2cnn(C)c2C(F)(F)F)CC1 ZINC000491658409 439421641 /nfs/dbraw/zinc/42/16/41/439421641.db2.gz BMZUIEMAYCKCKE-UHFFFAOYSA-N 1 2 343.353 0.306 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccsc1C#N ZINC000593610230 439421821 /nfs/dbraw/zinc/42/18/21/439421821.db2.gz WHTXQSGRWDBPPW-WDEREUQCSA-N 1 2 329.447 0.695 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccsc1C#N ZINC000593610230 439421823 /nfs/dbraw/zinc/42/18/23/439421823.db2.gz WHTXQSGRWDBPPW-WDEREUQCSA-N 1 2 329.447 0.695 20 30 ECEDLO CNC(=O)NC[C@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)CCO1 ZINC000529644091 439434664 /nfs/dbraw/zinc/43/46/64/439434664.db2.gz RLQWUUJUURCESI-AWEZNQCLSA-N 1 2 328.376 0.336 20 30 ECEDLO COCC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)nc2)C(C)(C)C1 ZINC000593659102 439438538 /nfs/dbraw/zinc/43/85/38/439438538.db2.gz ZSHGQAXAKOVOHB-UHFFFAOYSA-N 1 2 338.433 0.685 20 30 ECEDLO COCC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)nc2)C(C)(C)C1 ZINC000593659102 439438543 /nfs/dbraw/zinc/43/85/43/439438543.db2.gz ZSHGQAXAKOVOHB-UHFFFAOYSA-N 1 2 338.433 0.685 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cc(-c3ccccc3)ncc2=O)CC1 ZINC000491794228 439452447 /nfs/dbraw/zinc/45/24/47/439452447.db2.gz PHOYJEXAXOZUEU-UHFFFAOYSA-N 1 2 336.395 0.688 20 30 ECEDLO COCCOCC[NH+]1CCN(C(=O)c2ncc(C#N)cc2C)CC1 ZINC000593886277 439487732 /nfs/dbraw/zinc/48/77/32/439487732.db2.gz HLOMIHMPOLFVAY-UHFFFAOYSA-N 1 2 332.404 0.683 20 30 ECEDLO N#CCC1(CS(=O)(=O)N2CCC([NH+]3CCOCC3)CC2)CC1 ZINC000599499688 439492449 /nfs/dbraw/zinc/49/24/49/439492449.db2.gz KPCLZSXTFWVPBA-UHFFFAOYSA-N 1 2 327.450 0.807 20 30 ECEDLO Cc1nc(CN2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)no1 ZINC000530335583 439498382 /nfs/dbraw/zinc/49/83/82/439498382.db2.gz RUETXMOBNSYWQH-LBPRGKRZSA-N 1 2 332.408 0.447 20 30 ECEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000530333051 439499071 /nfs/dbraw/zinc/49/90/71/439499071.db2.gz OMRODDIPSFMIKC-KGLIPLIRSA-N 1 2 347.463 0.222 20 30 ECEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](CC(N)=O)C2)cc1 ZINC000599666045 439530851 /nfs/dbraw/zinc/53/08/51/439530851.db2.gz WEBHOEOMLCIDFA-GOEBONIOSA-N 1 2 333.388 0.069 20 30 ECEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@H](CC(N)=O)C2)cc1 ZINC000599666045 439530853 /nfs/dbraw/zinc/53/08/53/439530853.db2.gz WEBHOEOMLCIDFA-GOEBONIOSA-N 1 2 333.388 0.069 20 30 ECEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCO[C@@H](CC(N)=O)C3)C2=O)cc1 ZINC000599664013 439531553 /nfs/dbraw/zinc/53/15/53/439531553.db2.gz KOLNPBXDOVZYKA-JKSUJKDBSA-N 1 2 342.399 0.630 20 30 ECEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCO[C@@H](CC(N)=O)C3)C2=O)cc1 ZINC000599664013 439531560 /nfs/dbraw/zinc/53/15/60/439531560.db2.gz KOLNPBXDOVZYKA-JKSUJKDBSA-N 1 2 342.399 0.630 20 30 ECEDLO C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)N1C(=O)NC2(CCCC2)C1=O ZINC000571885533 439538294 /nfs/dbraw/zinc/53/82/94/439538294.db2.gz QVWFJFWNZLZKAQ-NHYWBVRUSA-N 1 2 335.408 0.200 20 30 ECEDLO C[C@H](O)CN1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000609260340 439558865 /nfs/dbraw/zinc/55/88/65/439558865.db2.gz WCEHCVWHHJAMAN-DOTOQJQBSA-N 1 2 333.432 0.491 20 30 ECEDLO CC[C@H](C(=O)N1CCN(C(=O)CC#N)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000572176490 439563730 /nfs/dbraw/zinc/56/37/30/439563730.db2.gz BQNCHXHIBNPWPJ-LSDHHAIUSA-N 1 2 336.436 0.460 20 30 ECEDLO CC[C@H](C(=O)N1CCN(C(=O)CC#N)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000572176490 439563736 /nfs/dbraw/zinc/56/37/36/439563736.db2.gz BQNCHXHIBNPWPJ-LSDHHAIUSA-N 1 2 336.436 0.460 20 30 ECEDLO COC(=O)[C@@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@@H](C)O1 ZINC000599599696 439515671 /nfs/dbraw/zinc/51/56/71/439515671.db2.gz WHLDQVSBFCIAQG-KMFMINBZSA-N 1 2 348.399 0.755 20 30 ECEDLO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@@H](C)O1 ZINC000599599696 439515672 /nfs/dbraw/zinc/51/56/72/439515672.db2.gz WHLDQVSBFCIAQG-KMFMINBZSA-N 1 2 348.399 0.755 20 30 ECEDLO CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000609539304 439576428 /nfs/dbraw/zinc/57/64/28/439576428.db2.gz XGHAEMCCJQQDCO-IRXDYDNUSA-N 1 2 349.479 0.279 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000573315784 439639434 /nfs/dbraw/zinc/63/94/34/439639434.db2.gz LWQWUVAUHSHDFD-CABCVRRESA-N 1 2 331.420 0.306 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCc2ccc(CC#N)cc2)CC1 ZINC000573601064 439654794 /nfs/dbraw/zinc/65/47/94/439654794.db2.gz FQKGWDKTGKOGNB-UHFFFAOYSA-N 1 2 343.431 0.844 20 30 ECEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000600421904 439656020 /nfs/dbraw/zinc/65/60/20/439656020.db2.gz QCLMIZKVSYXLGL-HNNXBMFYSA-N 1 2 333.436 0.793 20 30 ECEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000600421904 439656022 /nfs/dbraw/zinc/65/60/22/439656022.db2.gz QCLMIZKVSYXLGL-HNNXBMFYSA-N 1 2 333.436 0.793 20 30 ECEDLO Cc1cc(NC(=O)C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)ncc1C#N ZINC000595124410 439657125 /nfs/dbraw/zinc/65/71/25/439657125.db2.gz CIODINMEJWFEOQ-OLZOCXBDSA-N 1 2 345.403 0.426 20 30 ECEDLO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)ncc1C#N ZINC000595124410 439657128 /nfs/dbraw/zinc/65/71/28/439657128.db2.gz CIODINMEJWFEOQ-OLZOCXBDSA-N 1 2 345.403 0.426 20 30 ECEDLO C[C@@H](NC(=O)C(=O)N(C)CC[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000587715134 439669499 /nfs/dbraw/zinc/66/94/99/439669499.db2.gz DYYZQCBLXLTVQH-CQSZACIVSA-N 1 2 344.415 0.526 20 30 ECEDLO N#Cc1ccc(CC[NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 ZINC000595290965 439692790 /nfs/dbraw/zinc/69/27/90/439692790.db2.gz OTWZXQZKJOYPDE-UHFFFAOYSA-N 1 2 326.400 0.524 20 30 ECEDLO CN1CC(=O)N(CC[NH+]2CCN(c3ccc(C#N)cc3F)CC2)C1=O ZINC000595300714 439693946 /nfs/dbraw/zinc/69/39/46/439693946.db2.gz FYHKIHCFXLKTFR-UHFFFAOYSA-N 1 2 345.378 0.713 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(C(C)C)nc3ncnn32)CC1 ZINC000613387893 439756183 /nfs/dbraw/zinc/75/61/83/439756183.db2.gz JACPCZLCIDXPQN-UHFFFAOYSA-N 1 2 343.435 0.672 20 30 ECEDLO COC(=O)CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000595502674 439735463 /nfs/dbraw/zinc/73/54/63/439735463.db2.gz VOBNTWWKUSWLSJ-UONOGXRCSA-N 1 2 347.371 0.901 20 30 ECEDLO COC(=O)CC[C@H](C(=O)OC)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000595502674 439735465 /nfs/dbraw/zinc/73/54/65/439735465.db2.gz VOBNTWWKUSWLSJ-UONOGXRCSA-N 1 2 347.371 0.901 20 30 ECEDLO Cc1nc(N2CCN(C(=O)Nc3nn(C)cc3C#N)CC2)cc[nH+]1 ZINC000612752043 439739556 /nfs/dbraw/zinc/73/95/56/439739556.db2.gz NNMXQVSOZOQIJD-UHFFFAOYSA-N 1 2 326.364 0.744 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000614670736 439784264 /nfs/dbraw/zinc/78/42/64/439784264.db2.gz YDBBVNSBGFVBRE-CABCVRRESA-N 1 2 349.435 0.869 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000614670736 439784265 /nfs/dbraw/zinc/78/42/65/439784265.db2.gz YDBBVNSBGFVBRE-CABCVRRESA-N 1 2 349.435 0.869 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000615096663 439794331 /nfs/dbraw/zinc/79/43/31/439794331.db2.gz UUYUZSFTWYJQLM-ZBFHGGJFSA-N 1 2 328.478 0.980 20 30 ECEDLO C=CCCC(C)(C)CNC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000636540936 439922511 /nfs/dbraw/zinc/92/25/11/439922511.db2.gz IODGSZLPZSTGTI-CQSZACIVSA-N 1 2 325.453 0.932 20 30 ECEDLO C=C(C)COCCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000636930847 440099076 /nfs/dbraw/zinc/09/90/76/440099076.db2.gz LPSVZNLNBPDGFJ-QGZVFWFLSA-N 1 2 341.452 0.494 20 30 ECEDLO C=C(C)COCCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000636930847 440099081 /nfs/dbraw/zinc/09/90/81/440099081.db2.gz LPSVZNLNBPDGFJ-QGZVFWFLSA-N 1 2 341.452 0.494 20 30 ECEDLO C=CCCn1cc(CN2CC[NH+](CC(=O)N[C@@H](C)CC)CC2)nn1 ZINC000653483301 440191932 /nfs/dbraw/zinc/19/19/32/440191932.db2.gz FHFMZJVCFHFFKN-HNNXBMFYSA-N 1 2 334.468 0.887 20 30 ECEDLO C=CCC[C@H](CO)NC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000637526069 440290720 /nfs/dbraw/zinc/29/07/20/440290720.db2.gz FCLGLRRYDOOWRF-SJORKVTESA-N 1 2 348.447 0.909 20 30 ECEDLO C=CCC[C@H](CO)NC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000637526069 440290727 /nfs/dbraw/zinc/29/07/27/440290727.db2.gz FCLGLRRYDOOWRF-SJORKVTESA-N 1 2 348.447 0.909 20 30 ECEDLO CC#CC[C@@H](CO)NC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000637528297 440293998 /nfs/dbraw/zinc/29/39/98/440293998.db2.gz NTTRVEBQAIHHNB-DLBZAZTESA-N 1 2 346.431 0.356 20 30 ECEDLO CC#CC[C@@H](CO)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000637528297 440294002 /nfs/dbraw/zinc/29/40/02/440294002.db2.gz NTTRVEBQAIHHNB-DLBZAZTESA-N 1 2 346.431 0.356 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+]([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000659811160 440504203 /nfs/dbraw/zinc/50/42/03/440504203.db2.gz QQYBMTLJENWALH-HRCADAONSA-N 1 2 334.464 0.354 20 30 ECEDLO CC#CC[C@@H](CO)NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000645155268 440754951 /nfs/dbraw/zinc/75/49/51/440754951.db2.gz WACXUCDNMPFQRO-HNNXBMFYSA-N 1 2 332.404 0.492 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000651166136 440761647 /nfs/dbraw/zinc/76/16/47/440761647.db2.gz JTOQMNYPTXMBSC-HOTGVXAUSA-N 1 2 341.452 0.568 20 30 ECEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C1 ZINC000661156138 440799946 /nfs/dbraw/zinc/79/99/46/440799946.db2.gz WEWHPUWHBABMDP-JTQLQIEISA-N 1 2 331.376 0.674 20 30 ECEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C1 ZINC000661156138 440799953 /nfs/dbraw/zinc/79/99/53/440799953.db2.gz WEWHPUWHBABMDP-JTQLQIEISA-N 1 2 331.376 0.674 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)NCc2ccccc2OC)nn1 ZINC000640757193 440981550 /nfs/dbraw/zinc/98/15/50/440981550.db2.gz GYJFFJJNPLHCAD-UHFFFAOYSA-N 1 2 327.388 0.716 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)N2CC(=O)Nc3ccccc32)nn1 ZINC000640796884 440992676 /nfs/dbraw/zinc/99/26/76/440992676.db2.gz JARPRVKKQXMDCE-UHFFFAOYSA-N 1 2 338.371 0.376 20 30 ECEDLO C=CCCn1cc(C[NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)nn1 ZINC000657377518 441001773 /nfs/dbraw/zinc/00/17/73/441001773.db2.gz PBGDCAQEPUXGES-CQSZACIVSA-N 1 2 329.408 0.873 20 30 ECEDLO Cc1cc[nH+]cc1N1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 ZINC000554296032 322170800 /nfs/dbraw/zinc/17/08/00/322170800.db2.gz FBERUSGXXCNAOX-UHFFFAOYSA-N 1 2 340.391 0.385 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000153171876 526609510 /nfs/dbraw/zinc/60/95/10/526609510.db2.gz TXMKBEPCSKKLAQ-AWEZNQCLSA-N 1 2 331.420 0.600 20 30 ECEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)NCC1(O)CCC1 ZINC000329437330 546024386 /nfs/dbraw/zinc/02/43/86/546024386.db2.gz MEBZYIOFJTWNQU-UHFFFAOYSA-N 1 2 338.452 0.349 20 30 ECEDLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCc2c(ncn(C)c2=O)C1 ZINC000329642918 546030250 /nfs/dbraw/zinc/03/02/50/546030250.db2.gz ISJMSWCKCPFKAQ-NSHDSACASA-N 1 2 347.419 0.104 20 30 ECEDLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCc2c(ncn(C)c2=O)C1 ZINC000329642918 546030252 /nfs/dbraw/zinc/03/02/52/546030252.db2.gz ISJMSWCKCPFKAQ-NSHDSACASA-N 1 2 347.419 0.104 20 30 ECEDLO O=C(C[C@@H]1CCCO1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329757306 546033574 /nfs/dbraw/zinc/03/35/74/546033574.db2.gz MUVQLVBTZFZHSF-KBPBESRZSA-N 1 2 325.409 0.445 20 30 ECEDLO CN1CCO[C@H]2C[N@H+](CC(=O)N(CCC#N)c3ccccc3)C[C@H]21 ZINC000330281294 546042558 /nfs/dbraw/zinc/04/25/58/546042558.db2.gz UKGOSGVCMPIPOP-SJORKVTESA-N 1 2 328.416 0.948 20 30 ECEDLO CN1CCO[C@H]2C[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C[C@H]21 ZINC000330281294 546042562 /nfs/dbraw/zinc/04/25/62/546042562.db2.gz UKGOSGVCMPIPOP-SJORKVTESA-N 1 2 328.416 0.948 20 30 ECEDLO C[N@@H+]1CCO[C@H]2CN(CC(=O)N(CCC#N)c3ccccc3)C[C@H]21 ZINC000330281294 546042569 /nfs/dbraw/zinc/04/25/69/546042569.db2.gz UKGOSGVCMPIPOP-SJORKVTESA-N 1 2 328.416 0.948 20 30 ECEDLO C[N@H+]1CCO[C@H]2CN(CC(=O)N(CCC#N)c3ccccc3)C[C@H]21 ZINC000330281294 546042573 /nfs/dbraw/zinc/04/25/73/546042573.db2.gz UKGOSGVCMPIPOP-SJORKVTESA-N 1 2 328.416 0.948 20 30 ECEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C2)[nH]1 ZINC000330727395 546043979 /nfs/dbraw/zinc/04/39/79/546043979.db2.gz IFTOEMBBEHMDTR-SECBINFHSA-N 1 2 348.329 0.885 20 30 ECEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C2)[nH]1 ZINC000330727395 546043987 /nfs/dbraw/zinc/04/39/87/546043987.db2.gz IFTOEMBBEHMDTR-SECBINFHSA-N 1 2 348.329 0.885 20 30 ECEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C2)n1 ZINC000330727395 546043994 /nfs/dbraw/zinc/04/39/94/546043994.db2.gz IFTOEMBBEHMDTR-SECBINFHSA-N 1 2 348.329 0.885 20 30 ECEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C2)n1 ZINC000330727395 546044000 /nfs/dbraw/zinc/04/40/00/546044000.db2.gz IFTOEMBBEHMDTR-SECBINFHSA-N 1 2 348.329 0.885 20 30 ECEDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C2)n[nH]1 ZINC000330727395 546044004 /nfs/dbraw/zinc/04/40/04/546044004.db2.gz IFTOEMBBEHMDTR-SECBINFHSA-N 1 2 348.329 0.885 20 30 ECEDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C2)n[nH]1 ZINC000330727395 546044008 /nfs/dbraw/zinc/04/40/08/546044008.db2.gz IFTOEMBBEHMDTR-SECBINFHSA-N 1 2 348.329 0.885 20 30 ECEDLO C=CCCOCCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000636983458 547392330 /nfs/dbraw/zinc/39/23/30/547392330.db2.gz IYUYKCUZYPEXFD-KRWDZBQOSA-N 1 2 341.452 0.494 20 30 ECEDLO C=CCCOCCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000636983458 547392334 /nfs/dbraw/zinc/39/23/34/547392334.db2.gz IYUYKCUZYPEXFD-KRWDZBQOSA-N 1 2 341.452 0.494 20 30 ECEDLO C=C[C@H](O)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000668100832 547588563 /nfs/dbraw/zinc/58/85/63/547588563.db2.gz ZUBCPLODGAEFCR-HNNXBMFYSA-N 1 2 333.388 0.234 20 30 ECEDLO COCC#CC[NH+]1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000677479967 548934823 /nfs/dbraw/zinc/93/48/23/548934823.db2.gz TWDFQTGYQWIKMB-UHFFFAOYSA-N 1 2 325.416 0.979 20 30 ECEDLO C#CCOc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000749708568 579341549 /nfs/dbraw/zinc/34/15/49/579341549.db2.gz ZXOCJPFYTFMNNR-CQSZACIVSA-N 1 2 345.399 0.162 20 30 ECEDLO CC(=O)N1CCN(C(=O)[C@H](C)O[NH+]=C(N)c2ccc(F)cc2)CC1 ZINC000749787428 579343027 /nfs/dbraw/zinc/34/30/27/579343027.db2.gz MZIPBAJTLFGSCX-NSHDSACASA-N 1 2 336.367 0.542 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2nnnc2CCc2ccccc2)CC1 ZINC000749874771 579344166 /nfs/dbraw/zinc/34/41/66/579344166.db2.gz XWJMGUBHGHFNDA-UHFFFAOYSA-N 1 2 338.415 0.236 20 30 ECEDLO C#CCN(Cc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CCS(=O)(=O)C1 ZINC000750041601 579346600 /nfs/dbraw/zinc/34/66/00/579346600.db2.gz FAXHQXOTPLWJKW-HNNXBMFYSA-N 1 2 330.413 0.890 20 30 ECEDLO C[C@H](C(=O)NCCNC(=O)C1N=CC=CC1=O)[NH+]1CCSCC1 ZINC000750811871 579358985 /nfs/dbraw/zinc/35/89/85/579358985.db2.gz RMYACEGIGWZJGK-XGOYLDHDSA-N 1 2 338.433 0.066 20 30 ECEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)NCCO)CC1 ZINC000751468751 579369299 /nfs/dbraw/zinc/36/92/99/579369299.db2.gz PAOSXORGYLZPLN-INIZCTEOSA-N 1 2 345.399 0.593 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(COC)n2C[C@H]2CCCCO2)CC1 ZINC000752847864 579391481 /nfs/dbraw/zinc/39/14/81/579391481.db2.gz HVTCAAKQJBWCLW-OAHLLOKOSA-N 1 2 333.436 0.749 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)nc1 ZINC000755595180 579435891 /nfs/dbraw/zinc/43/58/91/579435891.db2.gz LNAVDOAFMXNSDX-HNNXBMFYSA-N 1 2 340.427 0.832 20 30 ECEDLO C=C(C)[C@@H](CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)OCC ZINC000755880477 579440558 /nfs/dbraw/zinc/44/05/58/579440558.db2.gz ONWORDSHLBNANS-OAHLLOKOSA-N 1 2 346.493 0.983 20 30 ECEDLO COC(=O)c1cccc(CN2CC[NH+](CC[S@@](C)=O)CC2)c1C#N ZINC000756602542 579451925 /nfs/dbraw/zinc/45/19/25/579451925.db2.gz VNRLEOUGCJWMJT-XMMPIXPASA-N 1 2 349.456 0.841 20 30 ECEDLO C[C@@H](NC(=O)NCCNc1ccc(C#N)cn1)[C@H](C)[NH+]1CCOCC1 ZINC000729592075 578297202 /nfs/dbraw/zinc/29/72/02/578297202.db2.gz FNFDQSTVYYEKHQ-KGLIPLIRSA-N 1 2 346.435 0.774 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000730097239 578303290 /nfs/dbraw/zinc/30/32/90/578303290.db2.gz JPJLMGGGLPUTOG-HNNXBMFYSA-N 1 2 340.383 0.775 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000730097239 578303291 /nfs/dbraw/zinc/30/32/91/578303291.db2.gz JPJLMGGGLPUTOG-HNNXBMFYSA-N 1 2 340.383 0.775 20 30 ECEDLO C#CCOc1ccc(NC(=O)C(=O)NCC[N@H+]2CCOC[C@@H]2C)cc1 ZINC000731130497 578310564 /nfs/dbraw/zinc/31/05/64/578310564.db2.gz PAHARGQYMCBTKC-AWEZNQCLSA-N 1 2 345.399 0.474 20 30 ECEDLO C#CCOc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC000731130497 578310565 /nfs/dbraw/zinc/31/05/65/578310565.db2.gz PAHARGQYMCBTKC-AWEZNQCLSA-N 1 2 345.399 0.474 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000733161487 578333180 /nfs/dbraw/zinc/33/31/80/578333180.db2.gz SLBFMKFDMPGYRK-UHFFFAOYSA-N 1 2 335.429 0.044 20 30 ECEDLO C#CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000735374532 578382862 /nfs/dbraw/zinc/38/28/62/578382862.db2.gz JWFWPVUXTRCROG-AWEZNQCLSA-N 1 2 331.401 0.489 20 30 ECEDLO C#CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000735374532 578382863 /nfs/dbraw/zinc/38/28/63/578382863.db2.gz JWFWPVUXTRCROG-AWEZNQCLSA-N 1 2 331.401 0.489 20 30 ECEDLO C#CCCNC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735375718 578382963 /nfs/dbraw/zinc/38/29/63/578382963.db2.gz PZBWOQLRGYQRDV-UHFFFAOYSA-N 1 2 339.403 0.717 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2c3ccc(C(C)=O)cc3oc2=O)CC1 ZINC000794523842 578592179 /nfs/dbraw/zinc/59/21/79/578592179.db2.gz MHZXSEHGJAMKNI-UHFFFAOYSA-N 1 2 341.367 0.575 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)c1 ZINC000798297138 578642853 /nfs/dbraw/zinc/64/28/53/578642853.db2.gz DFCMHVIESUMXBD-OAHLLOKOSA-N 1 2 340.427 0.832 20 30 ECEDLO C#CCOc1ccc(NC(=O)C(=O)N(C)CC[NH+]2CCOCC2)cc1 ZINC000784279041 578750260 /nfs/dbraw/zinc/75/02/60/578750260.db2.gz ZLVBRVMJZSRETN-UHFFFAOYSA-N 1 2 345.399 0.428 20 30 ECEDLO C=CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)C(C)C ZINC000786445898 578787208 /nfs/dbraw/zinc/78/72/08/578787208.db2.gz GCSQGEDWWPWTHK-HNNXBMFYSA-N 1 2 325.453 0.882 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)NCc1ccc[nH+]c1N(C)C)[C@@H]1CCCO1 ZINC000787632618 578811623 /nfs/dbraw/zinc/81/16/23/578811623.db2.gz DZGSAVBCEDFRGF-KBPBESRZSA-N 1 2 330.388 0.061 20 30 ECEDLO C[S@@](=O)CC[NH+]1CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000769479277 579145548 /nfs/dbraw/zinc/14/55/48/579145548.db2.gz GSBOBBKJTCJJTR-HSZRJFAPSA-N 1 2 331.445 0.702 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)ncn3C)CC1 ZINC000772920084 579217254 /nfs/dbraw/zinc/21/72/54/579217254.db2.gz ANWOOTPMUPNDKH-UHFFFAOYSA-N 1 2 332.429 0.903 20 30 ECEDLO C[C@H](O)c1ncc(C=NNC(=S)NCC[NH+]2CCOCC2)s1 ZINC000773006134 579218501 /nfs/dbraw/zinc/21/85/01/579218501.db2.gz QNGPAKVWXNVCGG-JTQLQIEISA-N 1 2 343.478 0.327 20 30 ECEDLO C#C[C@@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1CCCO1 ZINC000775627394 579269049 /nfs/dbraw/zinc/26/90/49/579269049.db2.gz UUOFYGAUCPWOEV-CABCVRRESA-N 1 2 347.419 0.518 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000761022683 579519464 /nfs/dbraw/zinc/51/94/64/579519464.db2.gz CKZRIGVEWBCSCL-CQSZACIVSA-N 1 2 332.429 0.704 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000761022682 579519543 /nfs/dbraw/zinc/51/95/43/579519543.db2.gz CKZRIGVEWBCSCL-AWEZNQCLSA-N 1 2 332.429 0.704 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2coc(C3CC3)n2)CC1 ZINC000763250769 579557589 /nfs/dbraw/zinc/55/75/89/579557589.db2.gz QVRNVSDHACXDCR-UHFFFAOYSA-N 1 2 330.388 0.449 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2coc(C3CC3)n2)CC1 ZINC000763250769 579557590 /nfs/dbraw/zinc/55/75/90/579557590.db2.gz QVRNVSDHACXDCR-UHFFFAOYSA-N 1 2 330.388 0.449 20 30 ECEDLO N#Cc1cnn2c1NC[C@@H](C[NH2+]CCC[NH+]1CCN(C(=O)[O-])CC1)C2 ZINC000740322377 579737801 /nfs/dbraw/zinc/73/78/01/579737801.db2.gz CGEJJAAHUBQNGV-CYBMUJFWSA-N 1 2 347.423 0.072 20 30 ECEDLO C[S@@](=O)CC[NH+]1CCN(C(=O)CNc2ccc(C#N)cc2)CC1 ZINC000741142456 579766322 /nfs/dbraw/zinc/76/63/22/579766322.db2.gz VJOYVSIJYFPWTI-HSZRJFAPSA-N 1 2 334.445 0.493 20 30 ECEDLO COC[C@H](C)/N=C1/NC(=O)[C@@H](CC(=O)NCCC[NH+](C)C)S1 ZINC000743277444 579796197 /nfs/dbraw/zinc/79/61/97/579796197.db2.gz QOUCEGKEXNQTKW-WDEREUQCSA-N 1 2 330.454 0.067 20 30 ECEDLO C[S@](=O)CC[NH+]1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000746469812 579840053 /nfs/dbraw/zinc/84/00/53/579840053.db2.gz TZJMKWGNKYNNCJ-DEOSSOPVSA-N 1 2 348.472 0.883 20 30 ECEDLO C[S@](=O)CCN1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000746469812 579840054 /nfs/dbraw/zinc/84/00/54/579840054.db2.gz TZJMKWGNKYNNCJ-DEOSSOPVSA-N 1 2 348.472 0.883 20 30 ECEDLO C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000746473377 579840350 /nfs/dbraw/zinc/84/03/50/579840350.db2.gz IILOMYPTUSTMSB-BSEYFRJRSA-N 1 2 348.472 0.881 20 30 ECEDLO C#CCCN(CC(F)(F)F)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000867118033 588904565 /nfs/dbraw/zinc/90/45/65/588904565.db2.gz XQJMWBWCDDWZNI-LLVKDONJSA-N 1 2 328.356 0.534 20 30 ECEDLO C#CCCN(CC(F)(F)F)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000867118033 588904567 /nfs/dbraw/zinc/90/45/67/588904567.db2.gz XQJMWBWCDDWZNI-LLVKDONJSA-N 1 2 328.356 0.534 20 30 ECEDLO CC[C@@H](C)[C@H](NC(=O)C#CC1CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000837412397 588951129 /nfs/dbraw/zinc/95/11/29/588951129.db2.gz ZQFZPKBAEHSTQS-PBHICJAKSA-N 1 2 335.448 0.379 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N(C)C)cc2)C1 ZINC000891605279 586181048 /nfs/dbraw/zinc/18/10/48/586181048.db2.gz AYRFMFSPHIMRPD-OAHLLOKOSA-N 1 2 328.416 0.905 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N(C)C)cc2)C1 ZINC000891605279 586181049 /nfs/dbraw/zinc/18/10/49/586181049.db2.gz AYRFMFSPHIMRPD-OAHLLOKOSA-N 1 2 328.416 0.905 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2nnc(C(C)(C)C)s2)C1 ZINC000891607724 586181215 /nfs/dbraw/zinc/18/12/15/586181215.db2.gz QSGVLSLTPXDDPF-LLVKDONJSA-N 1 2 349.460 0.988 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2nnc(C(C)(C)C)s2)C1 ZINC000891607724 586181217 /nfs/dbraw/zinc/18/12/17/586181217.db2.gz QSGVLSLTPXDDPF-LLVKDONJSA-N 1 2 349.460 0.988 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(Br)nn2)CC1 ZINC000891614156 586182216 /nfs/dbraw/zinc/18/22/16/586182216.db2.gz DBJCWCJIJNZDSY-UHFFFAOYSA-N 1 2 340.225 0.663 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccccc2OCC=C)CC1 ZINC000895915839 586212836 /nfs/dbraw/zinc/21/28/36/586212836.db2.gz LTRIOUYQKHKVLK-UHFFFAOYSA-N 1 2 349.456 0.837 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCOC3(CCC3)C2)CC1 ZINC000896180731 586225079 /nfs/dbraw/zinc/22/50/79/586225079.db2.gz GAVWGVPWTNCEGL-INIZCTEOSA-N 1 2 347.459 0.619 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCOC3(CCC3)C2)CC1 ZINC000896180731 586225082 /nfs/dbraw/zinc/22/50/82/586225082.db2.gz GAVWGVPWTNCEGL-INIZCTEOSA-N 1 2 347.459 0.619 20 30 ECEDLO CCc1nc(C#N)cc(N2CC[NH+](C[C@@H]3CCCS3(=O)=O)CC2)n1 ZINC000894753477 586409229 /nfs/dbraw/zinc/40/92/29/586409229.db2.gz IUGLIAABWKTBKZ-AWEZNQCLSA-N 1 2 349.460 0.610 20 30 ECEDLO C#CCN(CC(=O)N[C@@H](CO)c1c[nH+]cn1C)C(=O)OC(C)(C)C ZINC000898895732 586457348 /nfs/dbraw/zinc/45/73/48/586457348.db2.gz KHOOCFVMDUUHSE-LBPRGKRZSA-N 1 2 336.392 0.440 20 30 ECEDLO N#CCOc1ccccc1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899056997 586465577 /nfs/dbraw/zinc/46/55/77/586465577.db2.gz MNLVCRLLKIXMAR-UHFFFAOYSA-N 1 2 331.372 0.768 20 30 ECEDLO N#CCOc1ccccc1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899056997 586465580 /nfs/dbraw/zinc/46/55/80/586465580.db2.gz MNLVCRLLKIXMAR-UHFFFAOYSA-N 1 2 331.372 0.768 20 30 ECEDLO CN(C)c1cc(C#N)cc(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)c1 ZINC000899061504 586468489 /nfs/dbraw/zinc/46/84/89/586468489.db2.gz LIIQHYZDQYFKGX-UHFFFAOYSA-N 1 2 344.415 0.803 20 30 ECEDLO CN(C)c1cc(C#N)cc(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)c1 ZINC000899061504 586468491 /nfs/dbraw/zinc/46/84/91/586468491.db2.gz LIIQHYZDQYFKGX-UHFFFAOYSA-N 1 2 344.415 0.803 20 30 ECEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000843250139 589056348 /nfs/dbraw/zinc/05/63/48/589056348.db2.gz FCSQAEYLTBUIRA-CABCVRRESA-N 1 2 328.416 0.998 20 30 ECEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000843252135 589056420 /nfs/dbraw/zinc/05/64/20/589056420.db2.gz UKBKHJLBKDDRKU-HZPDHXFCSA-N 1 2 335.448 0.427 20 30 ECEDLO CON1CC[C@H](ON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)C1=O ZINC000902225673 586725912 /nfs/dbraw/zinc/72/59/12/586725912.db2.gz HMLCHCKQTRLNDT-HNNXBMFYSA-N 1 2 348.403 0.318 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)nc1 ZINC000903497836 586780571 /nfs/dbraw/zinc/78/05/71/586780571.db2.gz RNQRNSVCEPCEPA-CQSZACIVSA-N 1 2 329.385 0.683 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O ZINC000904184474 586832005 /nfs/dbraw/zinc/83/20/05/586832005.db2.gz RPMZNSNJFSYRAA-UHFFFAOYSA-N 1 2 342.355 0.867 20 30 ECEDLO Cc1nn(C)c(C=NNC(=S)NCC[NH+]2CCOCC2)c1Cl ZINC000905422782 586892013 /nfs/dbraw/zinc/89/20/13/586892013.db2.gz UUOGXSXUJGWBFA-UHFFFAOYSA-N 1 2 344.872 0.512 20 30 ECEDLO Cn1cc(N2C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)CCC2=O)cn1 ZINC000905495328 586898339 /nfs/dbraw/zinc/89/83/39/586898339.db2.gz JTSVWAIWWXXZIZ-LRDDRELGSA-N 1 2 332.408 0.123 20 30 ECEDLO CSC[C@@](C)(C#N)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000905539343 586898801 /nfs/dbraw/zinc/89/88/01/586898801.db2.gz DTPZJZQLNVQBQH-VNHYZAJKSA-N 1 2 327.450 0.628 20 30 ECEDLO N#Cc1ccc(NCCNC(=O)C2([NH+]3CCOCC3)CCC2)nc1 ZINC000782568348 586934627 /nfs/dbraw/zinc/93/46/27/586934627.db2.gz WUPXIIWLZPAQBX-UHFFFAOYSA-N 1 2 329.404 0.736 20 30 ECEDLO CC(=O)N1CC[NH+](CCNC(=O)Cc2c(C)cc(C#N)cc2C)CC1 ZINC000906161667 586934988 /nfs/dbraw/zinc/93/49/88/586934988.db2.gz GBYUBYSZUBBPGZ-UHFFFAOYSA-N 1 2 342.443 0.998 20 30 ECEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)CNc1ccc(C#N)cc1 ZINC000807281811 587123902 /nfs/dbraw/zinc/12/39/02/587123902.db2.gz XCBWRWGPLAXDCU-CQSZACIVSA-N 1 2 327.344 0.525 20 30 ECEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000807283965 587124396 /nfs/dbraw/zinc/12/43/96/587124396.db2.gz MNBMNQTUIGKBQM-IUODEOHRSA-N 1 2 342.355 0.880 20 30 ECEDLO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1nnnn1C1CC1 ZINC000808753343 587160788 /nfs/dbraw/zinc/16/07/88/587160788.db2.gz XOFBMEZFDPKWNG-JTQLQIEISA-N 1 2 347.404 0.399 20 30 ECEDLO C=CCc1cc(OC)cc(C[N@@H+]2CCN(CC(N)=O)C(=O)C2)c1O ZINC000840158947 587170213 /nfs/dbraw/zinc/17/02/13/587170213.db2.gz GUKBFQJAUFTFDS-UHFFFAOYSA-N 1 2 333.388 0.259 20 30 ECEDLO C=CCc1cc(OC)cc(C[N@H+]2CCN(CC(N)=O)C(=O)C2)c1O ZINC000840158947 587170215 /nfs/dbraw/zinc/17/02/15/587170215.db2.gz GUKBFQJAUFTFDS-UHFFFAOYSA-N 1 2 333.388 0.259 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)[C@@H]1CCCO1 ZINC000809307069 587173782 /nfs/dbraw/zinc/17/37/82/587173782.db2.gz YGDDCSHQQSOTAO-KKUMJFAQSA-N 1 2 344.415 0.423 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)[C@@H]1CCCO1 ZINC000809307684 587174041 /nfs/dbraw/zinc/17/40/41/587174041.db2.gz CDTZPGPLGUFODH-MJBXVCDLSA-N 1 2 330.388 0.760 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)CC1 ZINC000813451859 587253396 /nfs/dbraw/zinc/25/33/96/587253396.db2.gz RQVSPLDXYUSYOS-CYBMUJFWSA-N 1 2 325.368 0.449 20 30 ECEDLO C#CCNC(=O)CCN1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000815045108 587281720 /nfs/dbraw/zinc/28/17/20/587281720.db2.gz OCEWOTLJMCRDSO-KRWDZBQOSA-N 1 2 339.399 0.255 20 30 ECEDLO O=C(N[C@@H]1CCCN(O)C1=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000820482271 587536653 /nfs/dbraw/zinc/53/66/53/587536653.db2.gz GZGOYGIPCJMQPY-HZPDHXFCSA-N 1 2 347.415 0.681 20 30 ECEDLO N#CC[C@@]1(O)CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000825660600 587955424 /nfs/dbraw/zinc/95/54/24/587955424.db2.gz SSNDZRBTONCYAC-MRXNPFEDSA-N 1 2 326.360 0.827 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2cc(C3CC3)no2)CC1 ZINC000826549265 588069031 /nfs/dbraw/zinc/06/90/31/588069031.db2.gz DOZHXNKAEQTGBY-UHFFFAOYSA-N 1 2 344.415 0.378 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2cc(C3CC3)no2)CC1 ZINC000826549265 588069032 /nfs/dbraw/zinc/06/90/32/588069032.db2.gz DOZHXNKAEQTGBY-UHFFFAOYSA-N 1 2 344.415 0.378 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccnn2CCC)CC1 ZINC000826549475 588069140 /nfs/dbraw/zinc/06/91/40/588069140.db2.gz IZJGQMUKKIINHV-UHFFFAOYSA-N 1 2 331.420 0.190 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccnn2CCC)CC1 ZINC000826549475 588069142 /nfs/dbraw/zinc/06/91/42/588069142.db2.gz IZJGQMUKKIINHV-UHFFFAOYSA-N 1 2 331.420 0.190 20 30 ECEDLO N#CC1(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CCSCC1 ZINC000826943046 588090647 /nfs/dbraw/zinc/09/06/47/588090647.db2.gz UNINNHJZCNYQQV-UHFFFAOYSA-N 1 2 325.434 0.588 20 30 ECEDLO N#CC1(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CCSCC1 ZINC000826943046 588090649 /nfs/dbraw/zinc/09/06/49/588090649.db2.gz UNINNHJZCNYQQV-UHFFFAOYSA-N 1 2 325.434 0.588 20 30 ECEDLO CC[C@H](C)[C@@H](NC(=O)C#CC(C)C)C(=O)NCC[NH+]1CCOCC1 ZINC000827259988 588108751 /nfs/dbraw/zinc/10/87/51/588108751.db2.gz INPRWIFAXSUJPH-DOTOQJQBSA-N 1 2 337.464 0.625 20 30 ECEDLO C#C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000847026657 589233199 /nfs/dbraw/zinc/23/31/99/589233199.db2.gz GIVVTZOOWBCLGE-RBSFLKMASA-N 1 2 326.462 0.756 20 30 ECEDLO C#C[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000847026657 589233200 /nfs/dbraw/zinc/23/32/00/589233200.db2.gz GIVVTZOOWBCLGE-RBSFLKMASA-N 1 2 326.462 0.756 20 30 ECEDLO C#C[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000848287641 589286912 /nfs/dbraw/zinc/28/69/12/589286912.db2.gz SVPXIWZXYYOZPN-JKSUJKDBSA-N 1 2 333.432 0.039 20 30 ECEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)C1 ZINC000850662305 589377122 /nfs/dbraw/zinc/37/71/22/589377122.db2.gz FCQNDNLVEGWEBI-GUYCJALGSA-N 1 2 329.404 0.888 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@@H](C)O[C@@](C)(C(F)F)C2)CC1 ZINC000852779470 589511820 /nfs/dbraw/zinc/51/18/20/589511820.db2.gz GKHTYFARJGZYIB-CZUORRHYSA-N 1 2 329.391 0.508 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H](O)CN2CCCC2=O)c1 ZINC000111684265 589563378 /nfs/dbraw/zinc/56/33/78/589563378.db2.gz KFWAKJOGJMDWOZ-INIZCTEOSA-N 1 2 329.400 0.522 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](O)CN2CCCC2=O)c1 ZINC000111684265 589563379 /nfs/dbraw/zinc/56/33/79/589563379.db2.gz KFWAKJOGJMDWOZ-INIZCTEOSA-N 1 2 329.400 0.522 20 30 ECEDLO C#C[C@H](NC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO)[C@@H]1CCCO1 ZINC000854002664 589567897 /nfs/dbraw/zinc/56/78/97/589567897.db2.gz CFVYTEQCHOPEMK-IHRRRGAJSA-N 1 2 334.420 0.960 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCc3nc(C(C)C)ncc3C2)CC1 ZINC000857883289 589714978 /nfs/dbraw/zinc/71/49/78/589714978.db2.gz PCIIHNYLKNFIMS-UHFFFAOYSA-N 1 2 341.459 0.736 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCc3nc(C4CC4)ncc3C2)CC1 ZINC000859795515 589716675 /nfs/dbraw/zinc/71/66/75/589716675.db2.gz OVAFZVHPDVJFBQ-UHFFFAOYSA-N 1 2 339.443 0.490 20 30 ECEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N(CCC#N)Cc2cccnc2)C1 ZINC000866424459 589741040 /nfs/dbraw/zinc/74/10/40/589741040.db2.gz JFRXHXFDYVDIKP-OAHLLOKOSA-N 1 2 338.433 0.458 20 30 ECEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N(CCC#N)Cc2cccnc2)C1 ZINC000866424459 589741043 /nfs/dbraw/zinc/74/10/43/589741043.db2.gz JFRXHXFDYVDIKP-OAHLLOKOSA-N 1 2 338.433 0.458 20 30 ECEDLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000866769476 589772987 /nfs/dbraw/zinc/77/29/87/589772987.db2.gz LSOHVYMUKXHZCK-CYBMUJFWSA-N 1 2 326.397 0.221 20 30 ECEDLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000866769476 589772989 /nfs/dbraw/zinc/77/29/89/589772989.db2.gz LSOHVYMUKXHZCK-CYBMUJFWSA-N 1 2 326.397 0.221 20 30 ECEDLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)[C@@]2(C#N)CCCOC2)cn1 ZINC000868135801 589876186 /nfs/dbraw/zinc/87/61/86/589876186.db2.gz CMMZAAIMMNQBCQ-QGZVFWFLSA-N 1 2 342.403 0.966 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)cn1 ZINC000862644448 589953524 /nfs/dbraw/zinc/95/35/24/589953524.db2.gz MCYNCOIJXHVEQJ-GOSISDBHSA-N 1 2 329.400 0.409 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)cn1 ZINC000862644448 589953527 /nfs/dbraw/zinc/95/35/27/589953527.db2.gz MCYNCOIJXHVEQJ-GOSISDBHSA-N 1 2 329.400 0.409 20 30 ECEDLO N#Cc1cccc(CC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000870068589 589996453 /nfs/dbraw/zinc/99/64/53/589996453.db2.gz WXSBCNGGSPEOTN-KRWDZBQOSA-N 1 2 329.400 0.660 20 30 ECEDLO N#Cc1ccccc1OCC(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870077902 589998971 /nfs/dbraw/zinc/99/89/71/589998971.db2.gz YEXPREBMUGRWHN-MRXNPFEDSA-N 1 2 345.399 0.497 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(N3CCCC3)nn2)CC1 ZINC000865419972 590144566 /nfs/dbraw/zinc/14/45/66/590144566.db2.gz FFVLKTXYUCCXQE-UHFFFAOYSA-N 1 2 330.436 0.501 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000873905561 590209823 /nfs/dbraw/zinc/20/98/23/590209823.db2.gz ABWZNRGNAMDFQJ-OLZOCXBDSA-N 1 2 333.392 0.117 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000873905561 590209824 /nfs/dbraw/zinc/20/98/24/590209824.db2.gz ABWZNRGNAMDFQJ-OLZOCXBDSA-N 1 2 333.392 0.117 20 30 ECEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1sccc1C#N ZINC000874348124 590233641 /nfs/dbraw/zinc/23/36/41/590233641.db2.gz RPWFWSDZYQDPMZ-GFCCVEGCSA-N 1 2 336.417 0.785 20 30 ECEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1sccc1C#N ZINC000874348124 590233643 /nfs/dbraw/zinc/23/36/43/590233643.db2.gz RPWFWSDZYQDPMZ-GFCCVEGCSA-N 1 2 336.417 0.785 20 30 ECEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000874348282 590233656 /nfs/dbraw/zinc/23/36/56/590233656.db2.gz IGKAVBGOJGAVTL-CQSZACIVSA-N 1 2 348.378 0.863 20 30 ECEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000874348282 590233657 /nfs/dbraw/zinc/23/36/57/590233657.db2.gz IGKAVBGOJGAVTL-CQSZACIVSA-N 1 2 348.378 0.863 20 30 ECEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000874349417 590233718 /nfs/dbraw/zinc/23/37/18/590233718.db2.gz VTLANOMZFKVQEC-HNNXBMFYSA-N 1 2 348.378 0.863 20 30 ECEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000874349417 590233720 /nfs/dbraw/zinc/23/37/20/590233720.db2.gz VTLANOMZFKVQEC-HNNXBMFYSA-N 1 2 348.378 0.863 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000875086726 590269277 /nfs/dbraw/zinc/26/92/77/590269277.db2.gz UDWGSABPEKJAEK-CQSZACIVSA-N 1 2 346.431 0.423 20 30 ECEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000879717527 590337296 /nfs/dbraw/zinc/33/72/96/590337296.db2.gz AAAODFIWRZJVGU-OCCSQVGLSA-N 1 2 348.428 0.928 20 30 ECEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000879717527 590337297 /nfs/dbraw/zinc/33/72/97/590337297.db2.gz AAAODFIWRZJVGU-OCCSQVGLSA-N 1 2 348.428 0.928 20 30 ECEDLO C#CCC[C@@H](O)CNC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000875886734 590342998 /nfs/dbraw/zinc/34/29/98/590342998.db2.gz WFKWOZATDMQPEB-IAGOWNOFSA-N 1 2 346.431 0.356 20 30 ECEDLO C#CCC[C@@H](O)CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000875886734 590343001 /nfs/dbraw/zinc/34/30/01/590343001.db2.gz WFKWOZATDMQPEB-IAGOWNOFSA-N 1 2 346.431 0.356 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCO[C@@H](C(F)(F)F)CC2)CC1 ZINC000880047801 590363604 /nfs/dbraw/zinc/36/36/04/590363604.db2.gz ZITZKJRUWFONRI-CYBMUJFWSA-N 1 2 333.354 0.417 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCO[C@@H](C(F)(F)F)CC2)CC1 ZINC000880047801 590363606 /nfs/dbraw/zinc/36/36/06/590363606.db2.gz ZITZKJRUWFONRI-CYBMUJFWSA-N 1 2 333.354 0.417 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+](C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000880083602 590367524 /nfs/dbraw/zinc/36/75/24/590367524.db2.gz UKAMVOYZXAZYNL-CQSZACIVSA-N 1 2 346.387 0.955 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000880083602 590367527 /nfs/dbraw/zinc/36/75/27/590367527.db2.gz UKAMVOYZXAZYNL-CQSZACIVSA-N 1 2 346.387 0.955 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C2CCN(C(=O)c3ccoc3)CC2)CC1 ZINC000128279999 590375778 /nfs/dbraw/zinc/37/57/78/590375778.db2.gz PGKMAQFOOKARHO-UHFFFAOYSA-N 1 2 329.400 0.909 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H](CCSC)NC(=O)c2ccco2)CC1 ZINC000128301132 590378340 /nfs/dbraw/zinc/37/83/40/590378340.db2.gz HAVXPNNIVMVIPG-CQSZACIVSA-N 1 2 349.456 0.909 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](Cc2cc(C(=O)OC)cs2)CC1 ZINC000876687193 590398492 /nfs/dbraw/zinc/39/84/92/590398492.db2.gz FZJOSKZNDZNNLJ-UHFFFAOYSA-N 1 2 335.429 0.402 20 30 ECEDLO CNC(=O)NC[C@@H]1C[N@H+](Cc2cc(C#N)ccc2N(C)C)CCO1 ZINC000877650633 590475923 /nfs/dbraw/zinc/47/59/23/590475923.db2.gz NMTHNLSJXXUVNH-OAHLLOKOSA-N 1 2 331.420 0.754 20 30 ECEDLO CNC(=O)NC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2N(C)C)CCO1 ZINC000877650633 590475925 /nfs/dbraw/zinc/47/59/25/590475925.db2.gz NMTHNLSJXXUVNH-OAHLLOKOSA-N 1 2 331.420 0.754 20 30 ECEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000878621695 590531623 /nfs/dbraw/zinc/53/16/23/590531623.db2.gz NGMNQUZYSSAISF-JSGCOSHPSA-N 1 2 330.450 0.898 20 30 ECEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000878621695 590531625 /nfs/dbraw/zinc/53/16/25/590531625.db2.gz NGMNQUZYSSAISF-JSGCOSHPSA-N 1 2 330.450 0.898 20 30 ECEDLO NC(C[NH+]1CCN(c2ccccc2)CC1)=NOCC1(CO)COC1 ZINC000127341992 590542622 /nfs/dbraw/zinc/54/26/22/590542622.db2.gz DDUMRJJDOPQRCX-UHFFFAOYSA-N 1 2 334.420 0.106 20 30 ECEDLO C#CC[N@@H+](CC(=O)NC1CCN(C(=O)OCC)CC1)C1CSC1 ZINC000878913427 590550791 /nfs/dbraw/zinc/55/07/91/590550791.db2.gz NUZOXPSMSQQPHS-UHFFFAOYSA-N 1 2 339.461 0.774 20 30 ECEDLO C#CC[N@H+](CC(=O)NC1CCN(C(=O)OCC)CC1)C1CSC1 ZINC000878913427 590550793 /nfs/dbraw/zinc/55/07/93/590550793.db2.gz NUZOXPSMSQQPHS-UHFFFAOYSA-N 1 2 339.461 0.774 20 30 ECEDLO C#CCOc1ccc(C(=O)N(CCO)CC[NH+]2CCOCC2)cc1 ZINC000130279883 590590385 /nfs/dbraw/zinc/59/03/85/590590385.db2.gz JMZWEVLQPPKUKK-UHFFFAOYSA-N 1 2 332.400 0.465 20 30 ECEDLO C[C@@H](NC(=O)CO[NH+]=C(N)c1cccc(Cl)c1)C(=O)N(C)C ZINC000131275485 590609751 /nfs/dbraw/zinc/60/97/51/590609751.db2.gz HACFFZPLRZZIHR-SECBINFHSA-N 1 2 326.784 0.570 20 30 ECEDLO CCCCCC[N@H+](C)CC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000885318035 590715486 /nfs/dbraw/zinc/71/54/86/590715486.db2.gz CRVYHXMKRXWRCX-ZBFHGGJFSA-N 1 2 341.477 0.895 20 30 ECEDLO CCCCCC[N@@H+](C)CC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000885318035 590715491 /nfs/dbraw/zinc/71/54/91/590715491.db2.gz CRVYHXMKRXWRCX-ZBFHGGJFSA-N 1 2 341.477 0.895 20 30 ECEDLO N#C[C@@]12CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]1CS(=O)(=O)C2 ZINC000885316828 590715665 /nfs/dbraw/zinc/71/56/65/590715665.db2.gz CVLDPYJVBBOOLE-ABAIWWIYSA-N 1 2 330.369 0.345 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc3c(c2)ncn3C)C1 ZINC000885511088 590729393 /nfs/dbraw/zinc/72/93/93/590729393.db2.gz BUDBAMUYLYOPCG-CYBMUJFWSA-N 1 2 332.429 0.949 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc3c(c2)ncn3C)C1 ZINC000885511088 590729394 /nfs/dbraw/zinc/72/93/94/590729394.db2.gz BUDBAMUYLYOPCG-CYBMUJFWSA-N 1 2 332.429 0.949 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cncc(C(=O)OC)c2)C1 ZINC000885512856 590729608 /nfs/dbraw/zinc/72/96/08/590729608.db2.gz ZDWQPJIRPFQUHP-ZDUSSCGKSA-N 1 2 337.401 0.244 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cncc(C(=O)OC)c2)C1 ZINC000885512856 590729612 /nfs/dbraw/zinc/72/96/12/590729612.db2.gz ZDWQPJIRPFQUHP-ZDUSSCGKSA-N 1 2 337.401 0.244 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCCc1ccc2c(c1)OCCO2 ZINC000884173208 590761692 /nfs/dbraw/zinc/76/16/92/590761692.db2.gz PUXZEOIHWGJJMS-AWEZNQCLSA-N 1 2 348.399 0.953 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1nc2cc(F)ccc2n1C ZINC000884217703 590779527 /nfs/dbraw/zinc/77/95/27/590779527.db2.gz UNWJVZBMBDCMME-LBPRGKRZSA-N 1 2 348.378 0.818 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)NCC2(S(C)(=O)=O)CCC2)C1 ZINC000884311508 590801778 /nfs/dbraw/zinc/80/17/78/590801778.db2.gz DIYSSTLIJNCXDI-CYBMUJFWSA-N 1 2 327.450 0.351 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC2(S(C)(=O)=O)CCC2)C1 ZINC000884311508 590801780 /nfs/dbraw/zinc/80/17/80/590801780.db2.gz DIYSSTLIJNCXDI-CYBMUJFWSA-N 1 2 327.450 0.351 20 30 ECEDLO C=CCC[C@H](O)C[N@H+]1CCOC[C@]1(CO)CNC(=O)OC(C)(C)C ZINC000886292592 590826212 /nfs/dbraw/zinc/82/62/12/590826212.db2.gz RWMXGSXLBQJNEX-WMLDXEAASA-N 1 2 344.452 0.902 20 30 ECEDLO C=CCC[C@H](O)C[N@@H+]1CCOC[C@]1(CO)CNC(=O)OC(C)(C)C ZINC000886292592 590826217 /nfs/dbraw/zinc/82/62/17/590826217.db2.gz RWMXGSXLBQJNEX-WMLDXEAASA-N 1 2 344.452 0.902 20 30 ECEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCn3nncc3C2)cc1 ZINC000886450153 590849021 /nfs/dbraw/zinc/84/90/21/590849021.db2.gz PHCBDARDHZBJGS-INIZCTEOSA-N 1 2 327.388 0.990 20 30 ECEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCCn3nncc3C2)cc1 ZINC000886450153 590849024 /nfs/dbraw/zinc/84/90/24/590849024.db2.gz PHCBDARDHZBJGS-INIZCTEOSA-N 1 2 327.388 0.990 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1cccc(CC#N)n1 ZINC000890236682 590916361 /nfs/dbraw/zinc/91/63/61/590916361.db2.gz UFBUFGWBGKDPAU-ZDUSSCGKSA-N 1 2 345.403 0.265 20 30 ECEDLO N#CCNC(=O)C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000737694941 598539939 /nfs/dbraw/zinc/53/99/39/598539939.db2.gz HDRXYGZNQFMTQF-UHFFFAOYSA-N 1 2 341.375 0.350 20 30 ECEDLO Cc1cc(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)n(CCC#N)n1 ZINC000930468538 611430858 /nfs/dbraw/zinc/43/08/58/611430858.db2.gz DCBZBVRPFSHADG-CABCVRRESA-N 1 2 347.419 0.924 20 30 ECEDLO C#CC[N@@H+](CC(=O)N1CCNC(=O)C1)[C@H]1CCCc2ccccc21 ZINC000933421690 608752363 /nfs/dbraw/zinc/75/23/63/608752363.db2.gz LMSRJJJANLRNHR-KRWDZBQOSA-N 1 2 325.412 0.958 20 30 ECEDLO C#CC[N@H+](CC(=O)N1CCNC(=O)C1)[C@H]1CCCc2ccccc21 ZINC000933421690 608752365 /nfs/dbraw/zinc/75/23/65/608752365.db2.gz LMSRJJJANLRNHR-KRWDZBQOSA-N 1 2 325.412 0.958 20 30 ECEDLO N#Cc1ccnc(COC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c1 ZINC000909503777 608896490 /nfs/dbraw/zinc/89/64/90/608896490.db2.gz ZDBOAPVAOHRJNQ-CVEARBPZSA-N 1 2 331.372 0.876 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1ncnn1C ZINC000947217799 608969333 /nfs/dbraw/zinc/96/93/33/608969333.db2.gz RGJFMSBNMQSNKK-VXGBXAGGSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1ncnn1C ZINC000947217799 608969334 /nfs/dbraw/zinc/96/93/34/608969334.db2.gz RGJFMSBNMQSNKK-VXGBXAGGSA-N 1 2 327.392 0.798 20 30 ECEDLO CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000937177617 609023122 /nfs/dbraw/zinc/02/31/22/609023122.db2.gz JHQCNIHUGQYZSV-CYBMUJFWSA-N 1 2 340.387 0.535 20 30 ECEDLO NC(=O)C12CCC(CC1)[N@@H+]2CC#CCN1C(=O)c2ccccc2C1=O ZINC000932936682 611688376 /nfs/dbraw/zinc/68/83/76/611688376.db2.gz BGYCFSHRPDEAQV-UHFFFAOYSA-N 1 2 337.379 0.768 20 30 ECEDLO NC(=O)C12CCC(CC1)[N@H+]2CC#CCN1C(=O)c2ccccc2C1=O ZINC000932936682 611688379 /nfs/dbraw/zinc/68/83/79/611688379.db2.gz BGYCFSHRPDEAQV-UHFFFAOYSA-N 1 2 337.379 0.768 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ncccc2O)C1 ZINC000938170501 609482824 /nfs/dbraw/zinc/48/28/24/609482824.db2.gz IRZHYOABNXDUEL-KBPBESRZSA-N 1 2 342.399 0.216 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ncccc2O)C1 ZINC000938170501 609482826 /nfs/dbraw/zinc/48/28/26/609482826.db2.gz IRZHYOABNXDUEL-KBPBESRZSA-N 1 2 342.399 0.216 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000938529595 609844453 /nfs/dbraw/zinc/84/44/53/609844453.db2.gz SIMUPNKJVHRILG-XEZPLFJOSA-N 1 2 332.404 0.651 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000938779594 609994533 /nfs/dbraw/zinc/99/45/33/609994533.db2.gz DCKHCZGJQDHUDE-ZNMIVQPWSA-N 1 2 332.404 0.534 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000938860870 610000429 /nfs/dbraw/zinc/00/04/29/610000429.db2.gz RUUOQGIDGFDDHR-RRFJBIMHSA-N 1 2 326.400 0.654 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC000939909660 610169354 /nfs/dbraw/zinc/16/93/54/610169354.db2.gz HIANIRGVIAVWLA-MRXNPFEDSA-N 1 2 337.383 0.702 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)c1 ZINC000939928933 610172486 /nfs/dbraw/zinc/17/24/86/610172486.db2.gz APHUCSPGIOSLAN-GFCCVEGCSA-N 1 2 326.360 0.573 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnc([C@H](C)OC)s3)CC2)C1 ZINC000941411048 610301997 /nfs/dbraw/zinc/30/19/97/610301997.db2.gz SLLUBMMUWWAYJM-ZDUSSCGKSA-N 1 2 348.472 0.926 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cn4c(n3)C[C@@H](C)CC4)CC2)C1 ZINC000941456373 610318858 /nfs/dbraw/zinc/31/88/58/610318858.db2.gz PDZQXEGCSILENM-HNNXBMFYSA-N 1 2 341.459 0.541 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnn(C)c3CC)CC2)C1 ZINC000941472519 610330900 /nfs/dbraw/zinc/33/09/00/610330900.db2.gz ZZBYWWWYTQOJIN-UHFFFAOYSA-N 1 2 329.448 0.448 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)CC2)C1 ZINC000941483953 610337186 /nfs/dbraw/zinc/33/71/86/610337186.db2.gz KXDHJTXMQVQOCO-ZWKOTPCHSA-N 1 2 331.460 0.511 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000940710488 610340503 /nfs/dbraw/zinc/34/05/03/610340503.db2.gz AVJLOFIABQCWJN-NGFQHRJXSA-N 1 2 332.404 0.506 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3OCCc4ccccc43)CC2)C1 ZINC000941512699 610351895 /nfs/dbraw/zinc/35/18/95/610351895.db2.gz VEMSREJJSBEGIS-IBGZPJMESA-N 1 2 339.439 0.762 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)c3cncnc3)CC2)C1 ZINC000941534141 610365589 /nfs/dbraw/zinc/36/55/89/610365589.db2.gz NWTJDSFNMWCIGC-HNNXBMFYSA-N 1 2 327.432 0.432 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CCN(C2C[NH+]([C@H]3CCCNC3=O)C2)CC1 ZINC000941550825 610372871 /nfs/dbraw/zinc/37/28/71/610372871.db2.gz RZVFWBAEJPSKGS-QFBILLFUSA-N 1 2 348.491 0.696 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccnc(OCC)c3)CC2)C1 ZINC000941560060 610382440 /nfs/dbraw/zinc/38/24/40/610382440.db2.gz UYLPWADQIQYMHJ-UHFFFAOYSA-N 1 2 342.443 0.946 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cn4nccc4nc3C)CC2)C1 ZINC000941622535 610426721 /nfs/dbraw/zinc/42/67/21/610426721.db2.gz IKAKTTBNWVMKRC-UHFFFAOYSA-N 1 2 338.415 0.113 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCCCC(=O)N3)CC2)C1 ZINC000941653484 610443281 /nfs/dbraw/zinc/44/32/81/610443281.db2.gz WEZJIKOJWLRUDP-INIZCTEOSA-N 1 2 346.475 0.287 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccc(C(=O)NC)c3)CC2)C1 ZINC000941672580 610445959 /nfs/dbraw/zinc/44/59/59/610445959.db2.gz WXWPDEQQRJGVGQ-UHFFFAOYSA-N 1 2 340.427 0.121 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000941673959 610447220 /nfs/dbraw/zinc/44/72/20/610447220.db2.gz SIXXCCWKSWRWQI-GFCCVEGCSA-N 1 2 326.360 0.193 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)cn1 ZINC000941679491 610452506 /nfs/dbraw/zinc/45/25/06/610452506.db2.gz NWPKHJCBPLWJHU-OAHLLOKOSA-N 1 2 337.383 0.370 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C=C2CCC2)C[C@H]1OC ZINC000942513411 610492471 /nfs/dbraw/zinc/49/24/71/610492471.db2.gz PSNNCSCNZDYWEP-IXDOHACOSA-N 1 2 345.443 0.536 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C=C2CCC2)C[C@H]1OC ZINC000942513411 610492472 /nfs/dbraw/zinc/49/24/72/610492472.db2.gz PSNNCSCNZDYWEP-IXDOHACOSA-N 1 2 345.443 0.536 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)[C@H](C)C1 ZINC000942562096 610517916 /nfs/dbraw/zinc/51/79/16/610517916.db2.gz HGBBLTCCJJQZMX-PSASIEDQSA-N 1 2 343.229 0.559 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)[C@H](C)C1 ZINC000942562096 610517918 /nfs/dbraw/zinc/51/79/18/610517918.db2.gz HGBBLTCCJJQZMX-PSASIEDQSA-N 1 2 343.229 0.559 20 30 ECEDLO C=CCn1cc(C(=O)N2CCCN(C(=O)Cn3cc[nH+]c3)CC2)nn1 ZINC000941091881 610532517 /nfs/dbraw/zinc/53/25/17/610532517.db2.gz VFICMESYILEDFY-UHFFFAOYSA-N 1 2 343.391 0.035 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)nc1 ZINC000941879783 610550722 /nfs/dbraw/zinc/55/07/22/610550722.db2.gz PFFFQHUZDBLJBS-CQSZACIVSA-N 1 2 337.383 0.370 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2ncnn2C)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966851 610581378 /nfs/dbraw/zinc/58/13/78/610581378.db2.gz OHJDKFXXRBOJRQ-YPMHNXCESA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2ncnn2C)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966851 610581381 /nfs/dbraw/zinc/58/13/81/610581381.db2.gz OHJDKFXXRBOJRQ-YPMHNXCESA-N 1 2 327.392 0.655 20 30 ECEDLO CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000942719205 610584225 /nfs/dbraw/zinc/58/42/25/610584225.db2.gz IUUQOOOXFUZWQY-HOTGVXAUSA-N 1 2 333.432 0.180 20 30 ECEDLO CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000942719205 610584229 /nfs/dbraw/zinc/58/42/29/610584229.db2.gz IUUQOOOXFUZWQY-HOTGVXAUSA-N 1 2 333.432 0.180 20 30 ECEDLO C[C@H]1C[N@H+](Cc2nncn2C)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966592 610588078 /nfs/dbraw/zinc/58/80/78/610588078.db2.gz MNWYUACACJOMBR-WCQYABFASA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@H]1C[N@@H+](Cc2nncn2C)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966592 610588081 /nfs/dbraw/zinc/58/80/81/610588081.db2.gz MNWYUACACJOMBR-WCQYABFASA-N 1 2 327.392 0.655 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCCCN(C(=O)Cn3cc[nH+]c3)C2)c1 ZINC000943164945 610734588 /nfs/dbraw/zinc/73/45/88/610734588.db2.gz KMBQJZUMRYAKDS-AWEZNQCLSA-N 1 2 340.387 0.894 20 30 ECEDLO C[C@@H]1CN(CC#N)CC[C@@H]1NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000943252512 610775089 /nfs/dbraw/zinc/77/50/89/610775089.db2.gz BGZCNWYUKVYSFH-CVEARBPZSA-N 1 2 334.464 0.982 20 30 ECEDLO O=C(C#CC1CC1)N1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC000944932543 610848544 /nfs/dbraw/zinc/84/85/44/610848544.db2.gz BDMLUTNHRFCIDE-UHFFFAOYSA-N 1 2 326.400 0.817 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC000944417859 610858352 /nfs/dbraw/zinc/85/83/52/610858352.db2.gz YUIGNKIIWPGTLW-AWEZNQCLSA-N 1 2 329.404 0.884 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC000945030500 610887239 /nfs/dbraw/zinc/88/72/39/610887239.db2.gz KEOTUWQCQLCSLG-CYBMUJFWSA-N 1 2 329.404 0.953 20 30 ECEDLO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000945279367 610994943 /nfs/dbraw/zinc/99/49/43/610994943.db2.gz LWCFWTBLIWZMBR-IAQYHMDHSA-N 1 2 340.387 0.819 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)Cn2cc[nH+]c2)[nH]1 ZINC000944106381 611126581 /nfs/dbraw/zinc/12/65/81/611126581.db2.gz MFGWTBLUZPNTGQ-CYBMUJFWSA-N 1 2 326.360 0.504 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)Cc2c[nH]c[nH+]2)c[nH]1 ZINC000946325951 611218762 /nfs/dbraw/zinc/21/87/62/611218762.db2.gz OKDXBUGQHHYOJN-ABAIWWIYSA-N 1 2 340.387 0.867 20 30 ECEDLO N#CCN1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)CC[C@@H]2C1 ZINC000946899050 611240891 /nfs/dbraw/zinc/24/08/91/611240891.db2.gz ACGQHNGQHVXIDR-FGTMMUONSA-N 1 2 346.475 0.791 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)NCCCc2ccccc2)C1 ZINC000923579135 611267032 /nfs/dbraw/zinc/26/70/32/611267032.db2.gz LHIQKSKIEVORQP-KRWDZBQOSA-N 1 2 327.428 0.949 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)NCCCc2ccccc2)C1 ZINC000923579135 611267034 /nfs/dbraw/zinc/26/70/34/611267034.db2.gz LHIQKSKIEVORQP-KRWDZBQOSA-N 1 2 327.428 0.949 20 30 ECEDLO N#Cc1cc(C(=O)NC2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)c[nH]1 ZINC000947124422 611785655 /nfs/dbraw/zinc/78/56/55/611785655.db2.gz MEDUUHYFOJWSRV-UHFFFAOYSA-N 1 2 340.387 0.963 20 30 ECEDLO N#Cc1cc(C(=O)NC2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)c[nH]1 ZINC000947124422 611785656 /nfs/dbraw/zinc/78/56/56/611785656.db2.gz MEDUUHYFOJWSRV-UHFFFAOYSA-N 1 2 340.387 0.963 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC000950112680 611869883 /nfs/dbraw/zinc/86/98/83/611869883.db2.gz MPUWPZHLJNICPF-ZFWWWQNUSA-N 1 2 329.404 0.228 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC000950112680 611869885 /nfs/dbraw/zinc/86/98/85/611869885.db2.gz MPUWPZHLJNICPF-ZFWWWQNUSA-N 1 2 329.404 0.228 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3coc(C(N)=O)c3)CC2)C1 ZINC000949423681 611973612 /nfs/dbraw/zinc/97/36/12/611973612.db2.gz KOLOJKBNEIOBLE-UHFFFAOYSA-N 1 2 331.372 0.319 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3coc(C(N)=O)c3)CC2)C1 ZINC000949423681 611973614 /nfs/dbraw/zinc/97/36/14/611973614.db2.gz KOLOJKBNEIOBLE-UHFFFAOYSA-N 1 2 331.372 0.319 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)Cc3cc(CC)nn3C)CC2)C1 ZINC000949423948 611973727 /nfs/dbraw/zinc/97/37/27/611973727.db2.gz YCJRJALCOIQEQO-UHFFFAOYSA-N 1 2 344.459 0.852 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)Cc3cc(CC)nn3C)CC2)C1 ZINC000949423948 611973728 /nfs/dbraw/zinc/97/37/28/611973728.db2.gz YCJRJALCOIQEQO-UHFFFAOYSA-N 1 2 344.459 0.852 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000949452745 611986435 /nfs/dbraw/zinc/98/64/35/611986435.db2.gz OTZFSACINQQYQX-CQSZACIVSA-N 1 2 340.387 0.583 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000952784547 612100210 /nfs/dbraw/zinc/10/02/10/612100210.db2.gz MWOBXOOOGHRQDI-KBXIAJHMSA-N 1 2 334.420 0.069 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000952784547 612100213 /nfs/dbraw/zinc/10/02/13/612100213.db2.gz MWOBXOOOGHRQDI-KBXIAJHMSA-N 1 2 334.420 0.069 20 30 ECEDLO O=C(C#CC1CC1)N1[C@@H]2CCC[C@H]1CN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC000952813956 612105971 /nfs/dbraw/zinc/10/59/71/612105971.db2.gz LFFJNKWSPHNMOV-IYBDPMFKSA-N 1 2 326.400 0.958 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000953164662 612187872 /nfs/dbraw/zinc/18/78/72/612187872.db2.gz CNZUDRNDLCNVBR-GOSISDBHSA-N 1 2 326.400 0.817 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000952031906 612189836 /nfs/dbraw/zinc/18/98/36/612189836.db2.gz SFWXXCSGLKNAPF-ZIAGYGMSSA-N 1 2 326.400 0.960 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)CCc2[nH]cc[nH+]2)cn1 ZINC000951377013 612193427 /nfs/dbraw/zinc/19/34/27/612193427.db2.gz NQJMUDKSNONJBW-OAHLLOKOSA-N 1 2 337.383 0.750 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000951512720 612287243 /nfs/dbraw/zinc/28/72/43/612287243.db2.gz KNIKANFYXKTQEX-LZWOXQAQSA-N 1 2 346.431 0.959 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000951699294 612483102 /nfs/dbraw/zinc/48/31/02/612483102.db2.gz AOLGSEPTUZXHFK-YOEHRIQHSA-N 1 2 349.431 0.261 20 30 ECEDLO O=C(C#CC1CC1)N1[C@@H]2CC[C@H]1CN(C(=O)Cn1cc[nH+]c1)CC2 ZINC000952538189 612492648 /nfs/dbraw/zinc/49/26/48/612492648.db2.gz PDVBSAQNEAJPQY-CVEARBPZSA-N 1 2 326.400 0.888 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000954670874 612522460 /nfs/dbraw/zinc/52/24/60/612522460.db2.gz XIGMOVLFOVIWFZ-HOCLYGCPSA-N 1 2 332.404 0.534 20 30 ECEDLO CCCC[N@@H+]1CCOC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H](C)C#N)C1 ZINC000954820002 612712513 /nfs/dbraw/zinc/71/25/13/612712513.db2.gz PSYFAUROYOAFST-ZFWWWQNUSA-N 1 2 336.436 0.316 20 30 ECEDLO CCCC[N@H+]1CCOC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H](C)C#N)C1 ZINC000954820002 612712516 /nfs/dbraw/zinc/71/25/16/612712516.db2.gz PSYFAUROYOAFST-ZFWWWQNUSA-N 1 2 336.436 0.316 20 30 ECEDLO CC(C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)CC1 ZINC000956584657 612918690 /nfs/dbraw/zinc/91/86/90/612918690.db2.gz RXJRDFUFDXVOJF-HNNXBMFYSA-N 1 2 343.431 0.901 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)CC3(O)CCC3)CC2)C1 ZINC000956591565 612920823 /nfs/dbraw/zinc/92/08/23/612920823.db2.gz CDJSMRYFZYCBCM-CABCVRRESA-N 1 2 348.447 0.196 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)CC(C)(C)O)CC2)C1 ZINC000956591826 612920981 /nfs/dbraw/zinc/92/09/81/612920981.db2.gz AAFORGMKTOQETA-KBPBESRZSA-N 1 2 336.436 0.052 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCN(C(=O)CC)C3)CC2)cn1 ZINC000956601970 612923732 /nfs/dbraw/zinc/92/37/32/612923732.db2.gz UBALRZJDLUEEPL-KRWDZBQOSA-N 1 2 340.427 0.832 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CC(C)(C)O)C2)CC1 ZINC000956606423 612924833 /nfs/dbraw/zinc/92/48/33/612924833.db2.gz RWNBILIEKCRORY-UONOGXRCSA-N 1 2 336.436 0.052 20 30 ECEDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cnc(C#N)cn3)C2)C1 ZINC001164720316 720220977 /nfs/dbraw/zinc/22/09/77/720220977.db2.gz YFWGASSXSYZVGT-KRWDZBQOSA-N 1 2 344.419 0.013 20 30 ECEDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cnc(C#N)cn3)C2)C1 ZINC001164720316 720220983 /nfs/dbraw/zinc/22/09/83/720220983.db2.gz YFWGASSXSYZVGT-KRWDZBQOSA-N 1 2 344.419 0.013 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cn4nccc4nc3C)[C@H]2C1 ZINC001083236428 735510907 /nfs/dbraw/zinc/51/09/07/735510907.db2.gz BIWSTRYKWGSKLN-LSDHHAIUSA-N 1 2 325.372 0.196 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cn4nccc4nc3C)[C@H]2C1 ZINC001083236428 735510909 /nfs/dbraw/zinc/51/09/09/735510909.db2.gz BIWSTRYKWGSKLN-LSDHHAIUSA-N 1 2 325.372 0.196 20 30 ECEDLO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1C[NH+](CC(=O)NC2CCCC2)C1 ZINC000969463856 731910625 /nfs/dbraw/zinc/91/06/25/731910625.db2.gz WKWZNDRUYSOZMJ-GFCCVEGCSA-N 1 2 343.431 0.995 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)cn3ccnc23)[C@@H](n2ccnn2)C1 ZINC001069982693 790276290 /nfs/dbraw/zinc/27/62/90/790276290.db2.gz NXRNHPPNIXTKAC-CVEARBPZSA-N 1 2 349.398 0.523 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)cn3ccnc23)[C@@H](n2ccnn2)C1 ZINC001069982693 790276292 /nfs/dbraw/zinc/27/62/92/790276292.db2.gz NXRNHPPNIXTKAC-CVEARBPZSA-N 1 2 349.398 0.523 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001078082665 782275272 /nfs/dbraw/zinc/27/52/72/782275272.db2.gz SAOWXRUSXWAFCX-QZTJIDSGSA-N 1 2 338.411 0.305 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001078082665 782275278 /nfs/dbraw/zinc/27/52/78/782275278.db2.gz SAOWXRUSXWAFCX-QZTJIDSGSA-N 1 2 338.411 0.305 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2nnn(C)n2)CC1 ZINC001167273981 733113234 /nfs/dbraw/zinc/11/32/34/733113234.db2.gz GKXOIUVQLXSUDH-OLZOCXBDSA-N 1 2 334.424 0.177 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NCC[NH2+]Cc2nc(CC(F)(F)F)no2)c1 ZINC001125370952 733178545 /nfs/dbraw/zinc/17/85/45/733178545.db2.gz ZNFMAOOYBJOXRW-UHFFFAOYSA-N 1 2 342.281 0.894 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(C(C)C)o3)C2)nn1 ZINC000970206276 733200754 /nfs/dbraw/zinc/20/07/54/733200754.db2.gz SLGCWQTYELKBBU-GFCCVEGCSA-N 1 2 345.407 0.975 20 30 ECEDLO C[C@H](NC(=O)c1nnn(C)n1)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000970289615 733314440 /nfs/dbraw/zinc/31/44/40/733314440.db2.gz JUNLPZHSGKKPPO-LBPRGKRZSA-N 1 2 342.378 0.451 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)NC[C@@H](C)CNc1ccnc(C#N)n1 ZINC001104268652 733527159 /nfs/dbraw/zinc/52/71/59/733527159.db2.gz NDQBDTIXVFFIBF-LBPRGKRZSA-N 1 2 340.387 0.581 20 30 ECEDLO C#CCC1(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3nnn(C)n3)C2)CCC1 ZINC001104279651 733580347 /nfs/dbraw/zinc/58/03/47/733580347.db2.gz IPNGLQHHQURBDX-HUUCEWRRSA-N 1 2 344.463 0.978 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N1CCO[C@@H](CNC(=O)C#CC2CC2)C1 ZINC001104313545 734239822 /nfs/dbraw/zinc/23/98/22/734239822.db2.gz NYIBCVXMLQYWSK-ZDUSSCGKSA-N 1 2 340.387 0.098 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC1(C[NH2+]Cc2nnn(C)n2)CC1 ZINC001167435038 734269234 /nfs/dbraw/zinc/26/92/34/734269234.db2.gz DYDXZECZOBGPJX-ZFWWWQNUSA-N 1 2 348.451 0.567 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]([N@H+](C)Cc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000971221244 734366773 /nfs/dbraw/zinc/36/67/73/734366773.db2.gz NSQOLROUURBKGR-MNOVXSKESA-N 1 2 343.391 0.261 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]([N@@H+](C)Cc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000971221244 734366777 /nfs/dbraw/zinc/36/67/77/734366777.db2.gz NSQOLROUURBKGR-MNOVXSKESA-N 1 2 343.391 0.261 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc4cccnn43)[C@H]2C1 ZINC001083215848 734447860 /nfs/dbraw/zinc/44/78/60/734447860.db2.gz UTJNGWIATBZFCK-LSDHHAIUSA-N 1 2 325.372 0.278 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc4cccnn43)[C@H]2C1 ZINC001083215848 734447862 /nfs/dbraw/zinc/44/78/62/734447862.db2.gz UTJNGWIATBZFCK-LSDHHAIUSA-N 1 2 325.372 0.278 20 30 ECEDLO Cn1nnnc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C#CC1CC1 ZINC001025228779 738847744 /nfs/dbraw/zinc/84/77/44/738847744.db2.gz DKJFHUNNKCBJGZ-HZPDHXFCSA-N 1 2 342.447 0.969 20 30 ECEDLO Cn1nnnc1C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C#CC1CC1 ZINC001025228779 738847752 /nfs/dbraw/zinc/84/77/52/738847752.db2.gz DKJFHUNNKCBJGZ-HZPDHXFCSA-N 1 2 342.447 0.969 20 30 ECEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972206880 735785967 /nfs/dbraw/zinc/78/59/67/735785967.db2.gz LCNUITRXOCUENP-LSDHHAIUSA-N 1 2 345.378 0.411 20 30 ECEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972206880 735785970 /nfs/dbraw/zinc/78/59/70/735785970.db2.gz LCNUITRXOCUENP-LSDHHAIUSA-N 1 2 345.378 0.411 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccnn3C)C2)C1 ZINC000972402958 736128251 /nfs/dbraw/zinc/12/82/51/736128251.db2.gz YOBBQNUMHGZBCV-SFHVURJKSA-N 1 2 330.432 0.679 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccnn3C)C2)C1 ZINC000972402958 736128253 /nfs/dbraw/zinc/12/82/53/736128253.db2.gz YOBBQNUMHGZBCV-SFHVURJKSA-N 1 2 330.432 0.679 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N2CC[C@]3(C2)CN(CC#N)CCO3)c[nH+]1 ZINC000972427967 736174320 /nfs/dbraw/zinc/17/43/20/736174320.db2.gz CYDWZUFBIVHLHR-QGZVFWFLSA-N 1 2 331.420 0.754 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[C@@]3(C1)CN(CC#N)CCO3)C2 ZINC000972440974 736200702 /nfs/dbraw/zinc/20/07/02/736200702.db2.gz OAXWQNHXMKHXFX-KSSFIOAISA-N 1 2 343.431 0.650 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[C@@]3(C1)CN(CC#N)CCO3)CC2 ZINC000972440974 736200706 /nfs/dbraw/zinc/20/07/06/736200706.db2.gz OAXWQNHXMKHXFX-KSSFIOAISA-N 1 2 343.431 0.650 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(=O)c(OC)c[nH]3)C2)C1 ZINC000972465850 736265224 /nfs/dbraw/zinc/26/52/24/736265224.db2.gz MIYJRWGDEUPBBC-GOSISDBHSA-N 1 2 345.399 0.324 20 30 ECEDLO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(=O)c(OC)c[nH]3)C2)C1 ZINC000972465850 736265225 /nfs/dbraw/zinc/26/52/25/736265225.db2.gz MIYJRWGDEUPBBC-GOSISDBHSA-N 1 2 345.399 0.324 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nc(C)nn4C3)C2)C1 ZINC000972479288 736301341 /nfs/dbraw/zinc/30/13/41/736301341.db2.gz SWVQLLJQUASVPK-YJBOKZPZSA-N 1 2 345.447 0.638 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nc(C)nn4C3)C2)C1 ZINC000972479288 736301343 /nfs/dbraw/zinc/30/13/43/736301343.db2.gz SWVQLLJQUASVPK-YJBOKZPZSA-N 1 2 345.447 0.638 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3n[nH]c(=O)c4ccccc43)[C@H]2C1 ZINC001083255126 736319562 /nfs/dbraw/zinc/31/95/62/736319562.db2.gz FLFVGGUINLQVSO-LSDHHAIUSA-N 1 2 338.367 0.494 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3n[nH]c(=O)c4ccccc43)[C@H]2C1 ZINC001083255126 736319566 /nfs/dbraw/zinc/31/95/66/736319566.db2.gz FLFVGGUINLQVSO-LSDHHAIUSA-N 1 2 338.367 0.494 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ncc(C)cn3)C2)nn1 ZINC000972500427 736421337 /nfs/dbraw/zinc/42/13/37/736421337.db2.gz JNOIBFHAFWAPFZ-CQSZACIVSA-N 1 2 341.419 0.909 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ncc(C)cn3)C2)nn1 ZINC000972500427 736421339 /nfs/dbraw/zinc/42/13/39/736421339.db2.gz JNOIBFHAFWAPFZ-CQSZACIVSA-N 1 2 341.419 0.909 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3cnn(C)n3)C2)C1 ZINC000972553469 736722963 /nfs/dbraw/zinc/72/29/63/736722963.db2.gz FXCXUAUVNXLOLE-KRWDZBQOSA-N 1 2 331.420 0.074 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3cnn(C)n3)C2)C1 ZINC000972553469 736722968 /nfs/dbraw/zinc/72/29/68/736722968.db2.gz FXCXUAUVNXLOLE-KRWDZBQOSA-N 1 2 331.420 0.074 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)s3)C2)C1 ZINC000972595652 737026680 /nfs/dbraw/zinc/02/66/80/737026680.db2.gz DLKZJOVPSMFUSA-QGZVFWFLSA-N 1 2 347.440 0.787 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)s3)C2)C1 ZINC000972595652 737026683 /nfs/dbraw/zinc/02/66/83/737026683.db2.gz DLKZJOVPSMFUSA-QGZVFWFLSA-N 1 2 347.440 0.787 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2cnn(C)n2)C1 ZINC001023599453 737058414 /nfs/dbraw/zinc/05/84/14/737058414.db2.gz KZWAANYNOBRYLQ-BMFZPTHFSA-N 1 2 333.436 0.734 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2cnn(C)n2)C1 ZINC001023599453 737058420 /nfs/dbraw/zinc/05/84/20/737058420.db2.gz KZWAANYNOBRYLQ-BMFZPTHFSA-N 1 2 333.436 0.734 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn(C(C)C)nn3)C2)C1 ZINC000972617114 737104978 /nfs/dbraw/zinc/10/49/78/737104978.db2.gz MNLHSUXWHVGOJN-QGZVFWFLSA-N 1 2 331.420 0.799 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn(C(C)C)nn3)C2)C1 ZINC000972617114 737104980 /nfs/dbraw/zinc/10/49/80/737104980.db2.gz MNLHSUXWHVGOJN-QGZVFWFLSA-N 1 2 331.420 0.799 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3nonc3C)C2)nn1 ZINC001023638028 737125433 /nfs/dbraw/zinc/12/54/33/737125433.db2.gz XFRVXGZVFPGDIQ-ZDUSSCGKSA-N 1 2 345.407 0.798 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3nonc3C)C2)nn1 ZINC001023638028 737125436 /nfs/dbraw/zinc/12/54/36/737125436.db2.gz XFRVXGZVFPGDIQ-ZDUSSCGKSA-N 1 2 345.407 0.798 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCCN(C)C3=O)C2)C1 ZINC000972635208 737184709 /nfs/dbraw/zinc/18/47/09/737184709.db2.gz PSHYXJLMPLESNC-CRAIPNDOSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCCN(C)C3=O)C2)C1 ZINC000972635208 737184710 /nfs/dbraw/zinc/18/47/10/737184710.db2.gz PSHYXJLMPLESNC-CRAIPNDOSA-N 1 2 333.432 0.181 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000972764557 737607863 /nfs/dbraw/zinc/60/78/63/737607863.db2.gz YKUKQFAYEDQSSM-MNOVXSKESA-N 1 2 330.226 0.706 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000972764557 737607864 /nfs/dbraw/zinc/60/78/64/737607864.db2.gz YKUKQFAYEDQSSM-MNOVXSKESA-N 1 2 330.226 0.706 20 30 ECEDLO N#Cc1ccc(NCCN(CCO)C(=O)CCCn2cc[nH+]c2)cn1 ZINC001111485044 737740948 /nfs/dbraw/zinc/74/09/48/737740948.db2.gz USIYFLMTYGCVSY-UHFFFAOYSA-N 1 2 342.403 0.863 20 30 ECEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3nc4nccc(C)n4n3)[C@H]2C1 ZINC001083265893 737755434 /nfs/dbraw/zinc/75/54/34/737755434.db2.gz XAAXLDSRQZICRX-QWHCGFSZSA-N 1 2 328.376 0.144 20 30 ECEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3nc4nccc(C)n4n3)[C@H]2C1 ZINC001083265893 737755435 /nfs/dbraw/zinc/75/54/35/737755435.db2.gz XAAXLDSRQZICRX-QWHCGFSZSA-N 1 2 328.376 0.144 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001024389627 737933260 /nfs/dbraw/zinc/93/32/60/737933260.db2.gz PGSHHHDTIPCGRJ-ZIAGYGMSSA-N 1 2 347.415 0.533 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001024490396 738017709 /nfs/dbraw/zinc/01/77/09/738017709.db2.gz DLNDNIRHVSTOHV-OWYVNGRQSA-N 1 2 327.344 0.024 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(OC)ccc3OC)[C@H]2C1 ZINC001083270337 738183047 /nfs/dbraw/zinc/18/30/47/738183047.db2.gz APMSIILJEGPHKT-DOTOQJQBSA-N 1 2 330.384 0.862 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(OC)ccc3OC)[C@H]2C1 ZINC001083270337 738183049 /nfs/dbraw/zinc/18/30/49/738183049.db2.gz APMSIILJEGPHKT-DOTOQJQBSA-N 1 2 330.384 0.862 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(NC(C)=O)c3)[C@H]2C1 ZINC001083272320 738305228 /nfs/dbraw/zinc/30/52/28/738305228.db2.gz GPTIYNGRTKXWRN-DLBZAZTESA-N 1 2 327.384 0.803 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(NC(C)=O)c3)[C@H]2C1 ZINC001083272320 738305232 /nfs/dbraw/zinc/30/52/32/738305232.db2.gz GPTIYNGRTKXWRN-DLBZAZTESA-N 1 2 327.384 0.803 20 30 ECEDLO N#CCN1C[C@H]2OCCN(C(=O)C[N@@H+]3CCc4sccc4C3)[C@H]2C1 ZINC001083282561 739652239 /nfs/dbraw/zinc/65/22/39/739652239.db2.gz JHBZORZDXQTYGS-LSDHHAIUSA-N 1 2 346.456 0.541 20 30 ECEDLO N#CCN1C[C@H]2OCCN(C(=O)C[N@H+]3CCc4sccc4C3)[C@H]2C1 ZINC001083282561 739652241 /nfs/dbraw/zinc/65/22/41/739652241.db2.gz JHBZORZDXQTYGS-LSDHHAIUSA-N 1 2 346.456 0.541 20 30 ECEDLO C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)C[C@H]12 ZINC001026376774 741117967 /nfs/dbraw/zinc/11/79/67/741117967.db2.gz GBKDHHCWFZGASH-KWCYVHTRSA-N 1 2 342.403 0.084 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CC2(CCN(CC#N)CC2)O1 ZINC001098615984 741124981 /nfs/dbraw/zinc/12/49/81/741124981.db2.gz FTDGKXCMSZJSIW-HNNXBMFYSA-N 1 2 345.447 0.958 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)/C(C)=C\C)C2)nn1 ZINC001105207103 741473581 /nfs/dbraw/zinc/47/35/81/741473581.db2.gz FMMXIAAFQQDWIT-TZQNSNDFSA-N 1 2 346.435 0.408 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC(n2cc(C[NH2+]C[C@H](F)CC)nn2)C1 ZINC001105227584 741508762 /nfs/dbraw/zinc/50/87/62/741508762.db2.gz PUEKLWMTYGUBJN-WBMJQRKESA-N 1 2 339.415 0.826 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)[C@H](C)COC)C2)nn1 ZINC001105259655 741581624 /nfs/dbraw/zinc/58/16/24/741581624.db2.gz HESUNSITYOMDDH-KGLIPLIRSA-N 1 2 333.436 0.693 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc4ccccn34)C2)nn1 ZINC001105275316 741621482 /nfs/dbraw/zinc/62/14/82/741621482.db2.gz LMQNCPXFIIMTSR-UHFFFAOYSA-N 1 2 349.398 0.736 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105305782 741699570 /nfs/dbraw/zinc/69/95/70/741699570.db2.gz PCKFTHOCQMHBFE-CABCVRRESA-N 1 2 345.447 0.859 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(=O)NC)nn2)C1 ZINC001105310244 741715713 /nfs/dbraw/zinc/71/57/13/741715713.db2.gz VBRIOGQWYJXORM-STQMWFEESA-N 1 2 348.451 0.488 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)CCn1cc[nH+]c1 ZINC001058730988 741757585 /nfs/dbraw/zinc/75/75/85/741757585.db2.gz OAPIEUUBFGHOMX-KRWDZBQOSA-N 1 2 336.436 0.813 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CC(n2cc(C[NH2+][C@H](C)C(=O)NC)nn2)C1 ZINC001105318591 741763240 /nfs/dbraw/zinc/76/32/40/741763240.db2.gz GSTYXAPNVBJHSJ-SJKOYZFVSA-N 1 2 348.451 0.488 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3C[C@@H]3C)C2)nn1 ZINC001105320605 741774683 /nfs/dbraw/zinc/77/46/83/741774683.db2.gz CMXYOUIFDWAZNP-UONOGXRCSA-N 1 2 331.420 0.447 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC(n3cc(C[NH2+][C@@H](CC)C(N)=O)nn3)C2)C1 ZINC001105323769 741789669 /nfs/dbraw/zinc/78/96/69/741789669.db2.gz HZBORGPQYOSEBK-AWEZNQCLSA-N 1 2 346.435 0.371 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2cnn(C)n2)CC1(C)C ZINC000974687213 742003349 /nfs/dbraw/zinc/00/33/49/742003349.db2.gz SDOMNRUHBHKMOG-HOTGVXAUSA-N 1 2 344.463 0.239 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2cnn(C)n2)CC1(C)C ZINC000974687213 742003352 /nfs/dbraw/zinc/00/33/52/742003352.db2.gz SDOMNRUHBHKMOG-HOTGVXAUSA-N 1 2 344.463 0.239 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnns2)CC1(C)C ZINC000974687587 742005160 /nfs/dbraw/zinc/00/51/60/742005160.db2.gz VFBQVRMVMCTHOF-LSDHHAIUSA-N 1 2 347.488 0.962 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnns2)CC1(C)C ZINC000974687587 742005162 /nfs/dbraw/zinc/00/51/62/742005162.db2.gz VFBQVRMVMCTHOF-LSDHHAIUSA-N 1 2 347.488 0.962 20 30 ECEDLO C#CCN1CC[NH+](C2CCC(NC(=O)c3[nH]ncc3F)CC2)CC1 ZINC000996785555 742860641 /nfs/dbraw/zinc/86/06/41/742860641.db2.gz KIVCRHPMNXDVQC-UHFFFAOYSA-N 1 2 333.411 0.841 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](Cc3cnn(CC)n3)C2)cn1 ZINC001028941571 742936881 /nfs/dbraw/zinc/93/68/81/742936881.db2.gz YJBXKOCPFKKUNA-AWEZNQCLSA-N 1 2 338.415 0.926 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](Cc3cnn(CC)n3)C2)cn1 ZINC001028941571 742936885 /nfs/dbraw/zinc/93/68/85/742936885.db2.gz YJBXKOCPFKKUNA-AWEZNQCLSA-N 1 2 338.415 0.926 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)cn1 ZINC000997104031 743241148 /nfs/dbraw/zinc/24/11/48/743241148.db2.gz OGLXXFUAEGYSAY-LBPRGKRZSA-N 1 2 337.383 0.605 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)cn1 ZINC000997104031 743241151 /nfs/dbraw/zinc/24/11/51/743241151.db2.gz OGLXXFUAEGYSAY-LBPRGKRZSA-N 1 2 337.383 0.605 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3cscn3)C2)nn1 ZINC001105381187 743443462 /nfs/dbraw/zinc/44/34/62/743443462.db2.gz RGENKDIXFVKQFE-UHFFFAOYSA-N 1 2 330.417 0.474 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCC[C@H]3OC)C2)nn1 ZINC001105381361 743449917 /nfs/dbraw/zinc/44/99/17/743449917.db2.gz YAMRCYNBLCMJPK-JKSUJKDBSA-N 1 2 331.420 0.589 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)c[nH]1 ZINC000983568810 743463963 /nfs/dbraw/zinc/46/39/63/743463963.db2.gz RWTWBFBOGVMQTL-UONOGXRCSA-N 1 2 340.387 0.940 20 30 ECEDLO Cn1[nH]c(C[N@@H+]2C[C@@]3(C)CN(C(=O)C#CC4CC4)C[C@@]3(C)C2)nc1=O ZINC000982278477 751850041 /nfs/dbraw/zinc/85/00/41/751850041.db2.gz FQEMHKWFMYWRRO-HDICACEKSA-N 1 2 343.431 0.192 20 30 ECEDLO Cn1[nH]c(C[N@H+]2C[C@@]3(C)CN(C(=O)C#CC4CC4)C[C@@]3(C)C2)nc1=O ZINC000982278477 751850051 /nfs/dbraw/zinc/85/00/51/751850051.db2.gz FQEMHKWFMYWRRO-HDICACEKSA-N 1 2 343.431 0.192 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(C[NH2+]Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000997625309 743717222 /nfs/dbraw/zinc/71/72/22/743717222.db2.gz VFCGKVHCWVMAEO-GFCCVEGCSA-N 1 2 342.403 0.510 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000976646596 744176924 /nfs/dbraw/zinc/17/69/24/744176924.db2.gz LKCQWBIRVFAXNZ-CVGURMSBSA-N 1 2 341.415 0.495 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000998752815 744315259 /nfs/dbraw/zinc/31/52/59/744315259.db2.gz KKHFXSVLMXPECW-NEPJUHHUSA-N 1 2 328.376 0.263 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)CC2(C)C)nn1 ZINC000977287329 744843372 /nfs/dbraw/zinc/84/33/72/744843372.db2.gz SIZZYWWNLQZSJU-WCQYABFASA-N 1 2 334.424 0.168 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(N)=O)CC2(C)C)nn1 ZINC000977287329 744843376 /nfs/dbraw/zinc/84/33/76/744843376.db2.gz SIZZYWWNLQZSJU-WCQYABFASA-N 1 2 334.424 0.168 20 30 ECEDLO N#CCSCC(=O)N1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001059198214 745116322 /nfs/dbraw/zinc/11/63/22/745116322.db2.gz NYARMMMCGZMSDD-ZDUSSCGKSA-N 1 2 335.433 0.495 20 30 ECEDLO CN(C[C@@H]1CCN1C(=O)Cc1c[nH+]cn1C)C(=O)c1cc(C#N)c[nH]1 ZINC000977514118 745134997 /nfs/dbraw/zinc/13/49/97/745134997.db2.gz AVHXQRPKOHRRPJ-ZDUSSCGKSA-N 1 2 340.387 0.535 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H](n2cc(C[NH2+][C@H](C)C(=O)NC)nn2)C1 ZINC001098697422 745229209 /nfs/dbraw/zinc/22/92/09/745229209.db2.gz HVUYOTZJFDNYBG-OCCSQVGLSA-N 1 2 348.451 0.488 20 30 ECEDLO CN(C[C@@H]1CCN1C(=O)CCc1[nH]cc[nH+]1)C(=O)c1c[nH]c(C#N)c1 ZINC000977587937 745249553 /nfs/dbraw/zinc/24/95/53/745249553.db2.gz ZVOPYJBVXLEULI-AWEZNQCLSA-N 1 2 340.387 0.915 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)C(C)(C)C1 ZINC000977659680 745353200 /nfs/dbraw/zinc/35/32/00/745353200.db2.gz KLWNVKWOAKJMDR-WDEREUQCSA-N 1 2 327.812 0.618 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)C(C)(C)C1 ZINC000977659680 745353204 /nfs/dbraw/zinc/35/32/04/745353204.db2.gz KLWNVKWOAKJMDR-WDEREUQCSA-N 1 2 327.812 0.618 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3cn(CCOC)nn3)[C@@H]2C1 ZINC001075783601 745370810 /nfs/dbraw/zinc/37/08/10/745370810.db2.gz DZWSIHRHXRMKKJ-GXTWGEPZSA-N 1 2 339.827 0.823 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(CCOC)nn3)[C@@H]2C1 ZINC001075783601 745370816 /nfs/dbraw/zinc/37/08/16/745370816.db2.gz DZWSIHRHXRMKKJ-GXTWGEPZSA-N 1 2 339.827 0.823 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3noc(CC)n3)C2)nn1 ZINC001020704860 751999774 /nfs/dbraw/zinc/99/97/74/751999774.db2.gz BBCGXXSIZUTXFJ-HAQNSBGRSA-N 1 2 345.407 0.850 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1nnn(C(C)(C)C)n1 ZINC001029244620 745429180 /nfs/dbraw/zinc/42/91/80/745429180.db2.gz JUYBXYRPYBVFKG-MELADBBJSA-N 1 2 345.451 0.805 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1nnn(C(C)(C)C)n1 ZINC001029244620 745429182 /nfs/dbraw/zinc/42/91/82/745429182.db2.gz JUYBXYRPYBVFKG-MELADBBJSA-N 1 2 345.451 0.805 20 30 ECEDLO COc1cc(C[N@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)ccn1 ZINC001083413999 745527780 /nfs/dbraw/zinc/52/77/80/745527780.db2.gz HJHYIJMIVCNBQJ-CABCVRRESA-N 1 2 341.371 0.265 20 30 ECEDLO COc1cc(C[N@@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)ccn1 ZINC001083413999 745527781 /nfs/dbraw/zinc/52/77/81/745527781.db2.gz HJHYIJMIVCNBQJ-CABCVRRESA-N 1 2 341.371 0.265 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnns3)[C@H]2CC)C1=O ZINC001087511374 745541786 /nfs/dbraw/zinc/54/17/86/745541786.db2.gz MMTUNAFWFOMEGI-YNEHKIRRSA-N 1 2 349.460 0.908 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnns3)[C@H]2CC)C1=O ZINC001087511374 745541787 /nfs/dbraw/zinc/54/17/87/745541787.db2.gz MMTUNAFWFOMEGI-YNEHKIRRSA-N 1 2 349.460 0.908 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCCF)C2)nn1 ZINC001098700691 745645945 /nfs/dbraw/zinc/64/59/45/745645945.db2.gz RNGOHZREGQEVGQ-OAHLLOKOSA-N 1 2 337.399 0.541 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](CCC)OCC)C2)nn1 ZINC001098703221 745959570 /nfs/dbraw/zinc/95/95/70/745959570.db2.gz LVYRIKIRQAGUKK-CVEARBPZSA-N 1 2 333.436 0.980 20 30 ECEDLO N#Cc1nccc(N[C@H]2C[C@H](NC(=O)[C@H]3CCc4[nH+]ccn4C3)C2)n1 ZINC001059336041 745991237 /nfs/dbraw/zinc/99/12/37/745991237.db2.gz HXRPXMIQRVVWBM-AVGNSLFASA-N 1 2 337.387 0.288 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCCOCCOCC)C2)nn1 ZINC001105360967 752060020 /nfs/dbraw/zinc/06/00/20/752060020.db2.gz LVVILYGHYIFLRR-UHFFFAOYSA-N 1 2 349.435 0.218 20 30 ECEDLO Cn1ncnc1C[NH+]1CCC(CNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001001285832 746246762 /nfs/dbraw/zinc/24/67/62/746246762.db2.gz JLSSUEJQDOMQER-UHFFFAOYSA-N 1 2 327.392 0.657 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)CCn1cc[nH+]c1 ZINC000978432691 746316714 /nfs/dbraw/zinc/31/67/14/746316714.db2.gz LTCUYXZTOKRQLJ-OAGGEKHMSA-N 1 2 346.431 0.924 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@]3(F)CCOC3)C2)nn1 ZINC001098705941 746375896 /nfs/dbraw/zinc/37/58/96/746375896.db2.gz NKOQPQFBFPFZJU-ZBFHGGJFSA-N 1 2 335.383 0.293 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001001478202 746418036 /nfs/dbraw/zinc/41/80/36/746418036.db2.gz PMOSJFQCJJUZOC-UHFFFAOYSA-N 1 2 340.387 0.441 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000984569472 746635946 /nfs/dbraw/zinc/63/59/46/746635946.db2.gz VKBLXJCNHFAVMV-ZDUSSCGKSA-N 1 2 340.387 0.915 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnnn3C(C)(C)C)CC[C@@H]2C1 ZINC001087911498 746646139 /nfs/dbraw/zinc/64/61/39/746646139.db2.gz XLHALAWDIGGYNZ-MCIONIFRSA-N 1 2 345.451 0.868 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3nnnn3C(C)(C)C)CC[C@@H]2C1 ZINC001087911498 746646140 /nfs/dbraw/zinc/64/61/40/746646140.db2.gz XLHALAWDIGGYNZ-MCIONIFRSA-N 1 2 345.451 0.868 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nncs3)C[C@H]21 ZINC000978735622 746650081 /nfs/dbraw/zinc/65/00/81/746650081.db2.gz WCLHKMVFORGDEP-POQQGIQPSA-N 1 2 334.445 0.923 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3nncs3)C[C@H]21 ZINC000978735622 746650085 /nfs/dbraw/zinc/65/00/85/746650085.db2.gz WCLHKMVFORGDEP-POQQGIQPSA-N 1 2 334.445 0.923 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N2CCC2)c1 ZINC001029466736 746699159 /nfs/dbraw/zinc/69/91/59/746699159.db2.gz KIQCZGCTZYEDTO-CALCHBBNSA-N 1 2 338.411 0.584 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N2CCC2)c1 ZINC001029466736 746699162 /nfs/dbraw/zinc/69/91/62/746699162.db2.gz KIQCZGCTZYEDTO-CALCHBBNSA-N 1 2 338.411 0.584 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@@H]2C[N@H+](CC(=O)Nc3ccon3)CC[C@@H]2C1 ZINC001087961760 746746325 /nfs/dbraw/zinc/74/63/25/746746325.db2.gz IPHAFNLYGAWDEG-CABCVRRESA-N 1 2 342.399 0.807 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@@H]2C[N@@H+](CC(=O)Nc3ccon3)CC[C@@H]2C1 ZINC001087961760 746746328 /nfs/dbraw/zinc/74/63/28/746746328.db2.gz IPHAFNLYGAWDEG-CABCVRRESA-N 1 2 342.399 0.807 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000984707451 746855306 /nfs/dbraw/zinc/85/53/06/746855306.db2.gz STPOZVBSRZCPHT-HNNXBMFYSA-N 1 2 340.387 0.915 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001002150047 747029003 /nfs/dbraw/zinc/02/90/03/747029003.db2.gz GBFRXQSLYQSTDH-RDJZCZTQSA-N 1 2 346.431 0.898 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3nccn3)[C@@H]2C1 ZINC001075835357 747252379 /nfs/dbraw/zinc/25/23/79/747252379.db2.gz NJVOWGGZWICHFJ-NWDGAFQWSA-N 1 2 340.225 0.719 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3nccn3)[C@@H]2C1 ZINC001075835357 747252382 /nfs/dbraw/zinc/25/23/82/747252382.db2.gz NJVOWGGZWICHFJ-NWDGAFQWSA-N 1 2 340.225 0.719 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3C)CC[C@@H]2C1 ZINC001088112415 747412426 /nfs/dbraw/zinc/41/24/26/747412426.db2.gz DIVXRQRLTKZXSY-QXSJWSMHSA-N 1 2 345.447 0.687 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3C)CC[C@@H]2C1 ZINC001088112415 747412428 /nfs/dbraw/zinc/41/24/28/747412428.db2.gz DIVXRQRLTKZXSY-QXSJWSMHSA-N 1 2 345.447 0.687 20 30 ECEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(S(C)(=O)=O)o3)C[C@@H]2C1 ZINC001088126839 747447740 /nfs/dbraw/zinc/44/77/40/747447740.db2.gz ZWBBYZNZLQVTNF-OLZOCXBDSA-N 1 2 336.413 0.710 20 30 ECEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(S(C)(=O)=O)o3)C[C@@H]2C1 ZINC001088126839 747447746 /nfs/dbraw/zinc/44/77/46/747447746.db2.gz ZWBBYZNZLQVTNF-OLZOCXBDSA-N 1 2 336.413 0.710 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cn1 ZINC001029558857 747505967 /nfs/dbraw/zinc/50/59/67/747505967.db2.gz YMVWAGJXXZASJF-IYBDPMFKSA-N 1 2 326.400 0.440 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cn1 ZINC001029558857 747505973 /nfs/dbraw/zinc/50/59/73/747505973.db2.gz YMVWAGJXXZASJF-IYBDPMFKSA-N 1 2 326.400 0.440 20 30 ECEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2ncn(C)n2)CC1 ZINC001002740448 747719359 /nfs/dbraw/zinc/71/93/59/747719359.db2.gz BSCSZPOLUNNGGB-UHFFFAOYSA-N 1 2 328.214 0.918 20 30 ECEDLO C#CCCCCCC(=O)NCCN(CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001058949507 752224555 /nfs/dbraw/zinc/22/45/55/752224555.db2.gz XTCPLYQZINXRSD-UHFFFAOYSA-N 1 2 334.420 0.473 20 30 ECEDLO C[N@@H+](Cc1ccccc1C#N)C[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001029668401 748017163 /nfs/dbraw/zinc/01/71/63/748017163.db2.gz MWJBEZWYVXJBPG-CQSZACIVSA-N 1 2 349.456 0.883 20 30 ECEDLO C[N@H+](Cc1ccccc1C#N)C[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001029668401 748017171 /nfs/dbraw/zinc/01/71/71/748017171.db2.gz MWJBEZWYVXJBPG-CQSZACIVSA-N 1 2 349.456 0.883 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H](C[N@H+](C)Cc2nnc3n2CCOC3)C1 ZINC001029676871 748039495 /nfs/dbraw/zinc/03/94/95/748039495.db2.gz GZBFIUNAVBWHNB-OLZOCXBDSA-N 1 2 332.408 0.248 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2nnc3n2CCOC3)C1 ZINC001029676871 748039500 /nfs/dbraw/zinc/03/95/00/748039500.db2.gz GZBFIUNAVBWHNB-OLZOCXBDSA-N 1 2 332.408 0.248 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H](C[N@H+](C)Cc2ncnn2CC(F)F)C1 ZINC001029678856 748043561 /nfs/dbraw/zinc/04/35/61/748043561.db2.gz UBUNBLADDWYSRV-VXGBXAGGSA-N 1 2 340.378 0.983 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H](C[N@@H+](C)Cc2ncnn2CC(F)F)C1 ZINC001029678856 748043570 /nfs/dbraw/zinc/04/35/70/748043570.db2.gz UBUNBLADDWYSRV-VXGBXAGGSA-N 1 2 340.378 0.983 20 30 ECEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)ccc1F ZINC001007265345 752236943 /nfs/dbraw/zinc/23/69/43/752236943.db2.gz WWAUXRWEWCUZLA-ZFWWWQNUSA-N 1 2 346.362 0.886 20 30 ECEDLO N#Cc1cc(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)ccc1F ZINC001007265345 752236948 /nfs/dbraw/zinc/23/69/48/752236948.db2.gz WWAUXRWEWCUZLA-ZFWWWQNUSA-N 1 2 346.362 0.886 20 30 ECEDLO Cn1nnnc1C[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001029690003 748077440 /nfs/dbraw/zinc/07/74/40/748077440.db2.gz DBRAJCNGCWTMJP-LLVKDONJSA-N 1 2 328.380 0.004 20 30 ECEDLO Cn1nnnc1C[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001029690003 748077447 /nfs/dbraw/zinc/07/74/47/748077447.db2.gz DBRAJCNGCWTMJP-LLVKDONJSA-N 1 2 328.380 0.004 20 30 ECEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COCCN1C ZINC001027825922 748208704 /nfs/dbraw/zinc/20/87/04/748208704.db2.gz ICEHXUMZGYLWBB-OLZOCXBDSA-N 1 2 346.269 0.806 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COCCN1C ZINC001027825922 748208709 /nfs/dbraw/zinc/20/87/09/748208709.db2.gz ICEHXUMZGYLWBB-OLZOCXBDSA-N 1 2 346.269 0.806 20 30 ECEDLO CCn1nncc1C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001027831931 748294936 /nfs/dbraw/zinc/29/49/36/748294936.db2.gz XOIRDJGYECNXLG-CYBMUJFWSA-N 1 2 327.392 0.892 20 30 ECEDLO CCn1nncc1C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001027831931 748294939 /nfs/dbraw/zinc/29/49/39/748294939.db2.gz XOIRDJGYECNXLG-CYBMUJFWSA-N 1 2 327.392 0.892 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3ccccc3F)[C@@H](O)C2)C1=O ZINC001083314734 748549094 /nfs/dbraw/zinc/54/90/94/748549094.db2.gz XVGIILMKBWOBGP-OAGGEKHMSA-N 1 2 347.390 0.388 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3ccccc3F)[C@@H](O)C2)C1=O ZINC001083314734 748549096 /nfs/dbraw/zinc/54/90/96/748549096.db2.gz XVGIILMKBWOBGP-OAGGEKHMSA-N 1 2 347.390 0.388 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2CN(C(=O)CCn3cc[nH+]c3)C2)cn1 ZINC001003471655 748588829 /nfs/dbraw/zinc/58/88/29/748588829.db2.gz NOFGKIRMFRMJKP-UHFFFAOYSA-N 1 2 337.383 0.538 20 30 ECEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2c[nH]c(=O)cn2)CC1 ZINC001003516443 748634325 /nfs/dbraw/zinc/63/43/25/748634325.db2.gz RPAFUCYUFKBWDR-UHFFFAOYSA-N 1 2 341.209 0.873 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N(C)CCN(C)c1ncnc2c1C[N@H+](C)CC2 ZINC001105421806 748944652 /nfs/dbraw/zinc/94/46/52/748944652.db2.gz CVXLORRXEKGURT-AWEZNQCLSA-N 1 2 347.463 0.950 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N(C)CCN(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC001105421806 748944659 /nfs/dbraw/zinc/94/46/59/748944659.db2.gz CVXLORRXEKGURT-AWEZNQCLSA-N 1 2 347.463 0.950 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001059646295 749095130 /nfs/dbraw/zinc/09/51/30/749095130.db2.gz PPSOBWWEBFWGFD-OAHLLOKOSA-N 1 2 346.431 0.655 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3c[nH]c(C)n3)CC2)CC1 ZINC000985824605 749177157 /nfs/dbraw/zinc/17/71/57/749177157.db2.gz IIZJCSYBOIOJGZ-UHFFFAOYSA-N 1 2 346.435 0.400 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3cccnn3)CC2)CC1 ZINC000985825098 749180571 /nfs/dbraw/zinc/18/05/71/749180571.db2.gz CBRPORFZHAVAON-UHFFFAOYSA-N 1 2 344.419 0.158 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccncn3)CC2)CC1 ZINC000985828339 749193587 /nfs/dbraw/zinc/19/35/87/749193587.db2.gz SWDXZMDKLJDVSB-UHFFFAOYSA-N 1 2 344.419 0.158 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3c[nH]nc3C)CC2)CC1 ZINC000985831029 749196739 /nfs/dbraw/zinc/19/67/39/749196739.db2.gz YJOBMQFQXZEBND-UHFFFAOYSA-N 1 2 346.435 0.400 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001013930820 761928966 /nfs/dbraw/zinc/92/89/66/761928966.db2.gz YFDJIDCBUQIAOT-PWSUYJOCSA-N 1 2 326.360 0.571 20 30 ECEDLO C#Cc1cncc(C(=O)NCC2CN(C(=O)CCn3cc[nH+]c3)C2)c1 ZINC001004199937 749306666 /nfs/dbraw/zinc/30/66/66/749306666.db2.gz XDNLHWNEUYCWBG-UHFFFAOYSA-N 1 2 337.383 0.538 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001027916195 749370001 /nfs/dbraw/zinc/37/00/01/749370001.db2.gz FYXPPWPTRXSNLV-UONOGXRCSA-N 1 2 343.855 0.814 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001027916195 749370004 /nfs/dbraw/zinc/37/00/04/749370004.db2.gz FYXPPWPTRXSNLV-UONOGXRCSA-N 1 2 343.855 0.814 20 30 ECEDLO Cc1cc(C#N)nc(N[C@H]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)n1 ZINC001059681157 749421172 /nfs/dbraw/zinc/42/11/72/749421172.db2.gz QEJFOPPWMWOEPU-TXEJJXNPSA-N 1 2 325.376 0.692 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3nnnn3C)C2)cn1 ZINC001029891643 749463114 /nfs/dbraw/zinc/46/31/14/749463114.db2.gz IZJMDUWHLVRHLS-CYBMUJFWSA-N 1 2 339.403 0.181 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)Cc3nnnn3C)C2)cn1 ZINC001029891643 749463121 /nfs/dbraw/zinc/46/31/21/749463121.db2.gz IZJMDUWHLVRHLS-CYBMUJFWSA-N 1 2 339.403 0.181 20 30 ECEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cccn3nnnc23)CC1 ZINC001004449411 749511937 /nfs/dbraw/zinc/51/19/37/749511937.db2.gz ISSIBDBUSLWJFW-HNNXBMFYSA-N 1 2 339.403 0.964 20 30 ECEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cccn3nnnc23)CC1 ZINC001004449411 749511943 /nfs/dbraw/zinc/51/19/43/749511943.db2.gz ISSIBDBUSLWJFW-HNNXBMFYSA-N 1 2 339.403 0.964 20 30 ECEDLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004542696 749607055 /nfs/dbraw/zinc/60/70/55/749607055.db2.gz NDYVTELSJLBHHG-PMPSAXMXSA-N 1 2 332.448 0.937 20 30 ECEDLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004542696 749607060 /nfs/dbraw/zinc/60/70/60/749607060.db2.gz NDYVTELSJLBHHG-PMPSAXMXSA-N 1 2 332.448 0.937 20 30 ECEDLO CC(=O)N1CCOC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004622618 749700044 /nfs/dbraw/zinc/70/00/44/749700044.db2.gz XPLVFXFXOMBUDB-IRXDYDNUSA-N 1 2 348.447 0.460 20 30 ECEDLO CC(=O)N1CCOC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004622618 749700047 /nfs/dbraw/zinc/70/00/47/749700047.db2.gz XPLVFXFXOMBUDB-IRXDYDNUSA-N 1 2 348.447 0.460 20 30 ECEDLO C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001004740631 749804372 /nfs/dbraw/zinc/80/43/72/749804372.db2.gz HGHVGSVPEYIYBE-NHYWBVRUSA-N 1 2 340.387 0.819 20 30 ECEDLO CN(CCN(C)c1cnc(C#N)cn1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001105432420 750057692 /nfs/dbraw/zinc/05/76/92/750057692.db2.gz NHMBLHOQFHKNRE-UHFFFAOYSA-N 1 2 327.392 0.944 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000980848708 750258725 /nfs/dbraw/zinc/25/87/25/750258725.db2.gz AMCOGKJAINEWSA-KBPBESRZSA-N 1 2 327.450 0.505 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000980848708 750258730 /nfs/dbraw/zinc/25/87/30/750258730.db2.gz AMCOGKJAINEWSA-KBPBESRZSA-N 1 2 327.450 0.505 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2=CCCCCC2)[C@H](OC)C1 ZINC001212168197 762026474 /nfs/dbraw/zinc/02/64/74/762026474.db2.gz VULAWQRYQNKNJO-USXIJHARSA-N 1 2 347.459 0.830 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2=CCCCCC2)[C@H](OC)C1 ZINC001212168197 762026485 /nfs/dbraw/zinc/02/64/85/762026485.db2.gz VULAWQRYQNKNJO-USXIJHARSA-N 1 2 347.459 0.830 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)Cc2ccsc2)C1 ZINC001149130094 750332746 /nfs/dbraw/zinc/33/27/46/750332746.db2.gz KMPFQJRGDISXJJ-OAHLLOKOSA-N 1 2 349.456 0.247 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)Cc2ccsc2)C1 ZINC001149130094 750332752 /nfs/dbraw/zinc/33/27/52/750332752.db2.gz KMPFQJRGDISXJJ-OAHLLOKOSA-N 1 2 349.456 0.247 20 30 ECEDLO C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001005209874 750377840 /nfs/dbraw/zinc/37/78/40/750377840.db2.gz VPOKJUTUMVVJAI-BXUZGUMPSA-N 1 2 340.387 0.819 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3cn(C)cn3)CC2)C1=O ZINC000980970853 750418405 /nfs/dbraw/zinc/41/84/05/750418405.db2.gz CHDIWSOXHJUDEW-OAHLLOKOSA-N 1 2 331.420 0.355 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3cn(C)cn3)CC2)C1=O ZINC000980970853 750418412 /nfs/dbraw/zinc/41/84/12/750418412.db2.gz CHDIWSOXHJUDEW-OAHLLOKOSA-N 1 2 331.420 0.355 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)c3cnn(C)c3)C2)nn1 ZINC001105354785 750493672 /nfs/dbraw/zinc/49/36/72/750493672.db2.gz VUFNWWPTAGHNGS-UHFFFAOYSA-N 1 2 341.419 0.096 20 30 ECEDLO COCCN(CCNC(=O)CCc1[nH]cc[nH+]1)c1nccnc1C#N ZINC001126308302 750537588 /nfs/dbraw/zinc/53/75/88/750537588.db2.gz MYMRSKBVTMIEHD-UHFFFAOYSA-N 1 2 343.391 0.273 20 30 ECEDLO C=C(Br)C[NH2+][C@H]1CCN(C(=O)Cc2ncn[nH]2)[C@@H]1C ZINC000987323178 750711088 /nfs/dbraw/zinc/71/10/88/750711088.db2.gz UZEPBYWOILMYQF-ZJUUUORDSA-N 1 2 328.214 0.835 20 30 ECEDLO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001005949503 750837804 /nfs/dbraw/zinc/83/78/04/750837804.db2.gz WLRLNJNFECIXSG-GFCCVEGCSA-N 1 2 340.387 0.750 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C3CC=CC3)C2)nn1 ZINC001098641104 751013334 /nfs/dbraw/zinc/01/33/34/751013334.db2.gz PWTCZBKETWAEHQ-KRWDZBQOSA-N 1 2 343.431 0.757 20 30 ECEDLO O=C([C@H]1CNC(=O)N1)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000981850391 751189330 /nfs/dbraw/zinc/18/93/30/751189330.db2.gz GORLPWQECWUDOW-MRXNPFEDSA-N 1 2 326.400 0.254 20 30 ECEDLO O=C([C@H]1CNC(=O)N1)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000981850391 751189331 /nfs/dbraw/zinc/18/93/31/751189331.db2.gz GORLPWQECWUDOW-MRXNPFEDSA-N 1 2 326.400 0.254 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001059832942 751194060 /nfs/dbraw/zinc/19/40/60/751194060.db2.gz MJVATXOCGTVZNT-CABCVRRESA-N 1 2 334.420 0.829 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ncoc3C3CC3)C2)nn1 ZINC001105358409 751194635 /nfs/dbraw/zinc/19/46/35/751194635.db2.gz YXMDKDKFVNRPMD-UHFFFAOYSA-N 1 2 326.360 0.563 20 30 ECEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001028141244 751195754 /nfs/dbraw/zinc/19/57/54/751195754.db2.gz JKHVRJRYCCAUOT-MXWKQRLJSA-N 1 2 330.226 0.597 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001028141244 751195757 /nfs/dbraw/zinc/19/57/57/751195757.db2.gz JKHVRJRYCCAUOT-MXWKQRLJSA-N 1 2 330.226 0.597 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CNC(=O)N3)CC2)s1 ZINC000981850761 751197938 /nfs/dbraw/zinc/19/79/38/751197938.db2.gz SRAATDACMZFVNW-CYBMUJFWSA-N 1 2 333.417 0.335 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CNC(=O)N3)CC2)s1 ZINC000981850761 751197942 /nfs/dbraw/zinc/19/79/42/751197942.db2.gz SRAATDACMZFVNW-CYBMUJFWSA-N 1 2 333.417 0.335 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3conc3C)CC2)C1=O ZINC000981866131 751212880 /nfs/dbraw/zinc/21/28/80/751212880.db2.gz TXKGMRBOESMCMP-OAHLLOKOSA-N 1 2 332.404 0.918 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3conc3C)CC2)C1=O ZINC000981866131 751212884 /nfs/dbraw/zinc/21/28/84/751212884.db2.gz TXKGMRBOESMCMP-OAHLLOKOSA-N 1 2 332.404 0.918 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H](C)n3cccc3)C2)nn1 ZINC001105362591 752307591 /nfs/dbraw/zinc/30/75/91/752307591.db2.gz FUEDMZSXICCWSN-CQSZACIVSA-N 1 2 326.404 0.837 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC001007448314 752392294 /nfs/dbraw/zinc/39/22/94/752392294.db2.gz OIPDGTDJGWTEOA-NEPJUHHUSA-N 1 2 327.812 0.857 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC001007448314 752392299 /nfs/dbraw/zinc/39/22/99/752392299.db2.gz OIPDGTDJGWTEOA-NEPJUHHUSA-N 1 2 327.812 0.857 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000425890293 752429443 /nfs/dbraw/zinc/42/94/43/752429443.db2.gz HPJDMJDHVRHUEA-KKUMJFAQSA-N 1 2 346.431 0.833 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3nn(C)c4ccccc43)C2)nn1 ZINC001105365106 752442853 /nfs/dbraw/zinc/44/28/53/752442853.db2.gz HKVDDFGULKUKCX-UHFFFAOYSA-N 1 2 349.398 0.585 20 30 ECEDLO N#Cc1cc(C(=O)N[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)c[nH]1 ZINC000937853261 752573116 /nfs/dbraw/zinc/57/31/16/752573116.db2.gz LHJNQTVGDCQGPP-ZDUSSCGKSA-N 1 2 326.360 0.504 20 30 ECEDLO C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001075919853 752652417 /nfs/dbraw/zinc/65/24/17/752652417.db2.gz DUXFBAWKQQRGJI-UONOGXRCSA-N 1 2 334.420 0.659 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cccnc2)[C@H](OC)C1 ZINC001211764966 752678443 /nfs/dbraw/zinc/67/84/43/752678443.db2.gz XFQYGMMQVFZRTG-BPLDGKMQSA-N 1 2 332.404 0.201 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccnc2)[C@H](OC)C1 ZINC001211764966 752678447 /nfs/dbraw/zinc/67/84/47/752678447.db2.gz XFQYGMMQVFZRTG-BPLDGKMQSA-N 1 2 332.404 0.201 20 30 ECEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CNC(C)=O ZINC001211776111 752703695 /nfs/dbraw/zinc/70/36/95/752703695.db2.gz BRKNGNQAMXFRLK-HZPDHXFCSA-N 1 2 330.388 0.010 20 30 ECEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CNC(C)=O ZINC001211776111 752703701 /nfs/dbraw/zinc/70/37/01/752703701.db2.gz BRKNGNQAMXFRLK-HZPDHXFCSA-N 1 2 330.388 0.010 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2CC(F)(F)C2)[C@H](OC)C1 ZINC001212095183 752724318 /nfs/dbraw/zinc/72/43/18/752724318.db2.gz UZMWXWJTTPIKHC-CYZMBNFOSA-N 1 2 345.390 0.538 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC(F)(F)C2)[C@H](OC)C1 ZINC001212095183 752724321 /nfs/dbraw/zinc/72/43/21/752724321.db2.gz UZMWXWJTTPIKHC-CYZMBNFOSA-N 1 2 345.390 0.538 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)/C=C/c2ccco2)[C@H](OC)C1 ZINC001211788824 752750749 /nfs/dbraw/zinc/75/07/49/752750749.db2.gz ZXMLHVBZYFQPLF-VVTOVXDBSA-N 1 2 347.415 0.799 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)/C=C/c2ccco2)[C@H](OC)C1 ZINC001211788824 752750753 /nfs/dbraw/zinc/75/07/53/752750753.db2.gz ZXMLHVBZYFQPLF-VVTOVXDBSA-N 1 2 347.415 0.799 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC[C@@H](n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001098678977 752772429 /nfs/dbraw/zinc/77/24/29/752772429.db2.gz QDATXRYNLJBONL-GXTWGEPZSA-N 1 2 348.451 0.617 20 30 ECEDLO N#Cc1nccnc1N[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001058993608 752778393 /nfs/dbraw/zinc/77/83/93/752778393.db2.gz FCPGNZGJZRJGJV-STQMWFEESA-N 1 2 337.387 0.820 20 30 ECEDLO C[C@H](c1nnnn1C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001028487095 752831790 /nfs/dbraw/zinc/83/17/90/752831790.db2.gz QAMGPJKJRCSMGU-MNOVXSKESA-N 1 2 328.380 0.223 20 30 ECEDLO C[C@H](c1nnnn1C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001028487095 752831795 /nfs/dbraw/zinc/83/17/95/752831795.db2.gz QAMGPJKJRCSMGU-MNOVXSKESA-N 1 2 328.380 0.223 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000938078957 752873505 /nfs/dbraw/zinc/87/35/05/752873505.db2.gz SZCQNZCXMCFDNF-STQMWFEESA-N 1 2 329.404 0.639 20 30 ECEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001007775342 752921835 /nfs/dbraw/zinc/92/18/35/752921835.db2.gz MSEILXGLNJPBGH-LLVKDONJSA-N 1 2 325.390 0.145 20 30 ECEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001007775342 752921840 /nfs/dbraw/zinc/92/18/40/752921840.db2.gz MSEILXGLNJPBGH-LLVKDONJSA-N 1 2 325.390 0.145 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3ccnnc3C)C2)C1=O ZINC001007813846 752955798 /nfs/dbraw/zinc/95/57/98/752955798.db2.gz QCXVHBPYUTYGKR-ZBFHGGJFSA-N 1 2 343.431 0.766 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3ccnnc3C)C2)C1=O ZINC001007813846 752955800 /nfs/dbraw/zinc/95/58/00/752955800.db2.gz QCXVHBPYUTYGKR-ZBFHGGJFSA-N 1 2 343.431 0.766 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001008016010 753200747 /nfs/dbraw/zinc/20/07/47/753200747.db2.gz PCOXKFSAEDACEV-AAEUAGOBSA-N 1 2 337.811 0.699 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001008016010 753200750 /nfs/dbraw/zinc/20/07/50/753200750.db2.gz PCOXKFSAEDACEV-AAEUAGOBSA-N 1 2 337.811 0.699 20 30 ECEDLO CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001008066914 753265926 /nfs/dbraw/zinc/26/59/26/753265926.db2.gz YNJZPQJEFNETCR-AWEZNQCLSA-N 1 2 340.387 0.750 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)c1 ZINC000982692666 753320865 /nfs/dbraw/zinc/32/08/65/753320865.db2.gz NIORFFYCLYAJCB-LBPRGKRZSA-N 1 2 340.387 0.821 20 30 ECEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)ccc1F ZINC001008182231 753433318 /nfs/dbraw/zinc/43/33/18/753433318.db2.gz KFTWFKORTVFHQO-CABCVRRESA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)ccc1F ZINC001008182231 753433327 /nfs/dbraw/zinc/43/33/27/753433327.db2.gz KFTWFKORTVFHQO-CABCVRRESA-N 1 2 344.390 0.914 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000982740218 753451560 /nfs/dbraw/zinc/45/15/60/753451560.db2.gz VPGCKDDMDHSZNX-RBSFLKMASA-N 1 2 326.400 0.891 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000982740218 753451564 /nfs/dbraw/zinc/45/15/64/753451564.db2.gz VPGCKDDMDHSZNX-RBSFLKMASA-N 1 2 326.400 0.891 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCSC)[C@H](OC)C1 ZINC001211831438 753474582 /nfs/dbraw/zinc/47/45/82/753474582.db2.gz XUCZGNILKXUDHC-JHJVBQTASA-N 1 2 329.466 0.246 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCSC)[C@H](OC)C1 ZINC001211831438 753474586 /nfs/dbraw/zinc/47/45/86/753474586.db2.gz XUCZGNILKXUDHC-JHJVBQTASA-N 1 2 329.466 0.246 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cc4n(n3)CCC4)C2)nn1 ZINC001098681888 753648345 /nfs/dbraw/zinc/64/83/45/753648345.db2.gz ZGVWHIURMHXZTL-HNNXBMFYSA-N 1 2 339.403 0.231 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C3(COC)CCCC3)C2)nn1 ZINC001098681818 753650844 /nfs/dbraw/zinc/65/08/44/753650844.db2.gz XGKKNHCMOQUMBM-INIZCTEOSA-N 1 2 345.447 0.981 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001008369779 753665524 /nfs/dbraw/zinc/66/55/24/753665524.db2.gz CYTMDVJKSQCGQP-CABCVRRESA-N 1 2 327.388 0.320 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001008369779 753665529 /nfs/dbraw/zinc/66/55/29/753665529.db2.gz CYTMDVJKSQCGQP-CABCVRRESA-N 1 2 327.388 0.320 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3c(C)ncn3C)C2)nn1 ZINC001098682797 753680953 /nfs/dbraw/zinc/68/09/53/753680953.db2.gz GYEVHSRHDDWCRN-AWEZNQCLSA-N 1 2 327.392 0.130 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001014100970 762249393 /nfs/dbraw/zinc/24/93/93/762249393.db2.gz SHWCLVKZAXUEFW-GXFFZTMASA-N 1 2 326.360 0.571 20 30 ECEDLO COCCN(CCNC(=O)Cc1[nH]c[nH+]c1C)c1ccc(C#N)nc1 ZINC001126395955 753966541 /nfs/dbraw/zinc/96/65/41/753966541.db2.gz RDEXGFFXXDELRM-UHFFFAOYSA-N 1 2 342.403 0.797 20 30 ECEDLO CN(CCN(C)c1[nH+]cnc2c1cnn2C)C(=O)c1cc(C#N)c[nH]1 ZINC001105376616 754042538 /nfs/dbraw/zinc/04/25/38/754042538.db2.gz YNULMKUGGKZQGY-UHFFFAOYSA-N 1 2 338.375 0.771 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H]2C)nn1 ZINC000989499022 754045592 /nfs/dbraw/zinc/04/55/92/754045592.db2.gz JFCVZIHPSIVOOK-NEPJUHHUSA-N 1 2 343.391 0.149 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cncn3C)C2)nn1 ZINC001008791896 754122645 /nfs/dbraw/zinc/12/26/45/754122645.db2.gz BBSXILKMTBAVCJ-CYBMUJFWSA-N 1 2 329.408 0.592 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cncn3C)C2)nn1 ZINC001008791896 754122648 /nfs/dbraw/zinc/12/26/48/754122648.db2.gz BBSXILKMTBAVCJ-CYBMUJFWSA-N 1 2 329.408 0.592 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCCN(Cc3c[nH+]cn3C)C2)nn1 ZINC001008791896 754122653 /nfs/dbraw/zinc/12/26/53/754122653.db2.gz BBSXILKMTBAVCJ-CYBMUJFWSA-N 1 2 329.408 0.592 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)cn1 ZINC000982934870 754237640 /nfs/dbraw/zinc/23/76/40/754237640.db2.gz JORDBPXCHWRPQZ-AWEZNQCLSA-N 1 2 337.383 0.538 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000982935085 754238543 /nfs/dbraw/zinc/23/85/43/754238543.db2.gz MHGZYEVQYFSZMM-ZNMIVQPWSA-N 1 2 332.404 0.439 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001009096471 754535712 /nfs/dbraw/zinc/53/57/12/754535712.db2.gz NEBLUHZHJZDBHT-LLVKDONJSA-N 1 2 328.800 0.261 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001009096471 754535716 /nfs/dbraw/zinc/53/57/16/754535716.db2.gz NEBLUHZHJZDBHT-LLVKDONJSA-N 1 2 328.800 0.261 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001009126763 754558199 /nfs/dbraw/zinc/55/81/99/754558199.db2.gz WKKLJRSZDMJJHI-QWHCGFSZSA-N 1 2 332.404 0.714 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001009126763 754558204 /nfs/dbraw/zinc/55/82/04/754558204.db2.gz WKKLJRSZDMJJHI-QWHCGFSZSA-N 1 2 332.404 0.714 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](Nc2ccnc(C#N)n2)C1 ZINC001059087904 754595514 /nfs/dbraw/zinc/59/55/14/754595514.db2.gz FKMDPPSDSUEIOK-RYUDHWBXSA-N 1 2 325.376 0.385 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](Nc2ccnc(C#N)n2)C1 ZINC001059087904 754595519 /nfs/dbraw/zinc/59/55/19/754595519.db2.gz FKMDPPSDSUEIOK-RYUDHWBXSA-N 1 2 325.376 0.385 20 30 ECEDLO Cc1noc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)n1 ZINC001051556182 762331653 /nfs/dbraw/zinc/33/16/53/762331653.db2.gz SBNKFOAKJHMYDZ-ZWNOBZJWSA-N 1 2 344.375 0.770 20 30 ECEDLO Cc1noc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)n1 ZINC001051556180 762332089 /nfs/dbraw/zinc/33/20/89/762332089.db2.gz SBNKFOAKJHMYDZ-GXFFZTMASA-N 1 2 344.375 0.770 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000983187379 754818248 /nfs/dbraw/zinc/81/82/48/754818248.db2.gz YRTGEKPUQOLLFE-CQSZACIVSA-N 1 2 337.383 0.607 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)c1 ZINC001009496881 754950896 /nfs/dbraw/zinc/95/08/96/754950896.db2.gz QWLBHFBEYSOWAK-PHZGNYQRSA-N 1 2 349.394 0.463 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3snnc3CC)C2)nn1 ZINC001098688738 755065455 /nfs/dbraw/zinc/06/54/55/755065455.db2.gz WYBDUNHURWEFLM-LBPRGKRZSA-N 1 2 345.432 0.502 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)C[C@@H]3CCCO3)C2)nn1 ZINC001105379283 755279189 /nfs/dbraw/zinc/27/91/89/755279189.db2.gz TXSSCBWXFOJMQN-BBRMVZONSA-N 1 2 331.420 0.589 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083470537 755285527 /nfs/dbraw/zinc/28/55/27/755285527.db2.gz YLGUWYAJTCVFDX-TVFCKZIOSA-N 1 2 328.412 0.601 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083470537 755285530 /nfs/dbraw/zinc/28/55/30/755285530.db2.gz YLGUWYAJTCVFDX-TVFCKZIOSA-N 1 2 328.412 0.601 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H](CNc2cnc(C#N)cn2)C1 ZINC001060040836 755319109 /nfs/dbraw/zinc/31/91/09/755319109.db2.gz HMOCHMMAAFACKI-ZDUSSCGKSA-N 1 2 339.403 0.975 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H](CNc2cncc(C#N)n2)C1 ZINC001060041406 755335740 /nfs/dbraw/zinc/33/57/40/755335740.db2.gz WMNZYZZZXLZZDK-ZDUSSCGKSA-N 1 2 339.403 0.975 20 30 ECEDLO N#Cc1cnc(NC[C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC001060048677 755482254 /nfs/dbraw/zinc/48/22/54/755482254.db2.gz LPSQBDQTZZNRKM-GFCCVEGCSA-N 1 2 325.376 0.965 20 30 ECEDLO C[C@@H]1C[C@H](CNC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cn1cc[nH+]c1 ZINC001010206648 755811901 /nfs/dbraw/zinc/81/19/01/755811901.db2.gz MWMSGHIHRDNHTH-TZMCWYRMSA-N 1 2 340.387 0.750 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)[C@@H](O)C2)C1 ZINC000991648281 762438621 /nfs/dbraw/zinc/43/86/21/762438621.db2.gz RNUJJZDKTLTTRV-HIFRSBDPSA-N 1 2 346.431 0.695 20 30 ECEDLO COCc1noc([C@H](C)[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC001051608310 762456199 /nfs/dbraw/zinc/45/61/99/762456199.db2.gz BRCVXRMCOXLAQV-JSGCOSHPSA-N 1 2 348.403 0.507 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ncccc1O ZINC001076246271 756262196 /nfs/dbraw/zinc/26/21/96/756262196.db2.gz LLAUMOJTGYUNKU-KBPBESRZSA-N 1 2 344.415 0.509 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1ncccc1O ZINC001076246271 756262199 /nfs/dbraw/zinc/26/21/99/756262199.db2.gz LLAUMOJTGYUNKU-KBPBESRZSA-N 1 2 344.415 0.509 20 30 ECEDLO CCCc1noc(C[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC001051609337 762458723 /nfs/dbraw/zinc/45/87/23/762458723.db2.gz RRWAHZOWOPMHPT-AWEZNQCLSA-N 1 2 332.404 0.753 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCc3ncc[nH]3)C2)nn1 ZINC001098663400 756556675 /nfs/dbraw/zinc/55/66/75/756556675.db2.gz FEZAOOZUKLUSHT-AWEZNQCLSA-N 1 2 327.392 0.130 20 30 ECEDLO C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001076504965 756588115 /nfs/dbraw/zinc/58/81/15/756588115.db2.gz ARAKYHMPZXCEEC-UONOGXRCSA-N 1 2 346.431 0.881 20 30 ECEDLO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)nn1 ZINC001010851387 756600808 /nfs/dbraw/zinc/60/08/08/756600808.db2.gz LQFMFDGNYIHBHE-OAHLLOKOSA-N 1 2 327.363 0.810 20 30 ECEDLO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)nn1 ZINC001010851387 756600811 /nfs/dbraw/zinc/60/08/11/756600811.db2.gz LQFMFDGNYIHBHE-OAHLLOKOSA-N 1 2 327.363 0.810 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCN(C(=O)CCn3cc[nH+]c3)CC2)[nH]1 ZINC001011019968 756773986 /nfs/dbraw/zinc/77/39/86/756773986.db2.gz BWXWHIGAVMYJIK-UHFFFAOYSA-N 1 2 326.360 0.458 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000990931826 756910814 /nfs/dbraw/zinc/91/08/14/756910814.db2.gz XRKGVBGEICDUNG-UHFFFAOYSA-N 1 2 326.360 0.193 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000990935592 756914099 /nfs/dbraw/zinc/91/40/99/756914099.db2.gz NOJLOTSYUBWPDT-ZIAGYGMSSA-N 1 2 338.371 0.364 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccoc3C)C2)C1=O ZINC001076724841 756918866 /nfs/dbraw/zinc/91/88/66/756918866.db2.gz PCIYRUIVKOZPQT-QLFBSQMISA-N 1 2 333.388 0.150 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccoc3C)C2)C1=O ZINC001076724841 756918871 /nfs/dbraw/zinc/91/88/71/756918871.db2.gz PCIYRUIVKOZPQT-QLFBSQMISA-N 1 2 333.388 0.150 20 30 ECEDLO O=C(C#CC1CC1)N1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001011110487 756940680 /nfs/dbraw/zinc/94/06/80/756940680.db2.gz BLINZCSRGNZMLE-HNNXBMFYSA-N 1 2 326.400 0.530 20 30 ECEDLO C=CCOCC(=O)NCc1cn(C2C[NH+](C[C@H]3CC[C@@H](C)O3)C2)nn1 ZINC001107147435 757046747 /nfs/dbraw/zinc/04/67/47/757046747.db2.gz ZUTZOLRVQPDEPN-CZUORRHYSA-N 1 2 349.435 0.521 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C[C@](C)(O)C3CC3)nn2)C1 ZINC001107160873 757185066 /nfs/dbraw/zinc/18/50/66/757185066.db2.gz NPRLXZRUSCTVEU-KRWDZBQOSA-N 1 2 331.420 0.325 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCc1cn(C2C[NH+](CCOCC)C2)nn1 ZINC001107164125 757197738 /nfs/dbraw/zinc/19/77/38/757197738.db2.gz RHUQFNYJVYCSSF-MRXNPFEDSA-N 1 2 337.424 0.115 20 30 ECEDLO COCCOCC[NH+]1CC(n2cc(CNC(=O)C#CC(C)C)nn2)C1 ZINC001107169327 757205913 /nfs/dbraw/zinc/20/59/13/757205913.db2.gz CDINBOACYXJIEP-UHFFFAOYSA-N 1 2 349.435 0.073 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)Cc3ccn(CC)n3)nn2)C1 ZINC001107174621 757287966 /nfs/dbraw/zinc/28/79/66/757287966.db2.gz UXISSQLCLWNSIF-UHFFFAOYSA-N 1 2 329.408 0.396 20 30 ECEDLO CC#CCN1CC(n2cc(CNC(=O)CCc3[nH+]ccn3C)nn2)C1 ZINC001107186924 757387139 /nfs/dbraw/zinc/38/71/39/757387139.db2.gz GGTALYANYUDNHQ-UHFFFAOYSA-N 1 2 341.419 0.141 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C[C@H](C)c3cnn(C)c3)nn2)C1 ZINC001107186811 757387210 /nfs/dbraw/zinc/38/72/10/757387210.db2.gz CLEOLFQWRSPNPG-ZDUSSCGKSA-N 1 2 343.435 0.864 20 30 ECEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001076854982 757395680 /nfs/dbraw/zinc/39/56/80/757395680.db2.gz YVLNSKVRBUSUTD-HUUCEWRRSA-N 1 2 329.360 0.466 20 30 ECEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001076854982 757395690 /nfs/dbraw/zinc/39/56/90/757395690.db2.gz YVLNSKVRBUSUTD-HUUCEWRRSA-N 1 2 329.360 0.466 20 30 ECEDLO N#Cc1cc(C(=O)N2CC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)c[nH]1 ZINC001021429146 757430112 /nfs/dbraw/zinc/43/01/12/757430112.db2.gz GQRULMPBKRYCHR-XHDPSFHLSA-N 1 2 338.371 0.525 20 30 ECEDLO CCc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076896991 757512592 /nfs/dbraw/zinc/51/25/92/757512592.db2.gz CHOIMLDIHSIJCV-HZPDHXFCSA-N 1 2 343.387 0.720 20 30 ECEDLO CCc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076896991 757512599 /nfs/dbraw/zinc/51/25/99/757512599.db2.gz CHOIMLDIHSIJCV-HZPDHXFCSA-N 1 2 343.387 0.720 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)Cc3ncccc3F)nn2)C1 ZINC001107198385 757568555 /nfs/dbraw/zinc/56/85/55/757568555.db2.gz FHJDDDAJAUTDSW-UHFFFAOYSA-N 1 2 342.378 0.551 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC001021589551 757652287 /nfs/dbraw/zinc/65/22/87/757652287.db2.gz YSGYMWBWIGIMHT-LSDHHAIUSA-N 1 2 326.400 0.815 20 30 ECEDLO CN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O ZINC001049000711 757655077 /nfs/dbraw/zinc/65/50/77/757655077.db2.gz VBVRAFNAUCWTLQ-GJZGRUSLSA-N 1 2 346.431 0.422 20 30 ECEDLO CN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O ZINC001049000711 757655084 /nfs/dbraw/zinc/65/50/84/757655084.db2.gz VBVRAFNAUCWTLQ-GJZGRUSLSA-N 1 2 346.431 0.422 20 30 ECEDLO N#CCN1C[C@@H]2CN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C[C@@H]2C1 ZINC001049003832 757664916 /nfs/dbraw/zinc/66/49/16/757664916.db2.gz QNYFNPRKINENSL-HLLBOEOZSA-N 1 2 332.448 0.544 20 30 ECEDLO N#CCN1C[C@@H]2CN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001049003832 757664925 /nfs/dbraw/zinc/66/49/25/757664925.db2.gz QNYFNPRKINENSL-HLLBOEOZSA-N 1 2 332.448 0.544 20 30 ECEDLO Cc1ccnc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)n1 ZINC001076939773 757687004 /nfs/dbraw/zinc/68/70/04/757687004.db2.gz VOGMRZWLGIFOTE-HZPDHXFCSA-N 1 2 337.383 0.632 20 30 ECEDLO Cc1ccnc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)n1 ZINC001076939773 757687011 /nfs/dbraw/zinc/68/70/11/757687011.db2.gz VOGMRZWLGIFOTE-HZPDHXFCSA-N 1 2 337.383 0.632 20 30 ECEDLO Cc1cn(C)nc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076982740 757805526 /nfs/dbraw/zinc/80/55/26/757805526.db2.gz HVVJXGYTRRKPIE-HZPDHXFCSA-N 1 2 339.399 0.575 20 30 ECEDLO Cc1cn(C)nc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076982740 757805542 /nfs/dbraw/zinc/80/55/42/757805542.db2.gz HVVJXGYTRRKPIE-HZPDHXFCSA-N 1 2 339.399 0.575 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)ncn2)C[C@H]1O ZINC001077016398 757971975 /nfs/dbraw/zinc/97/19/75/757971975.db2.gz MMRZLWDDOGMBNX-VQHPVUNQSA-N 1 2 346.431 0.428 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@H]1O ZINC001077016398 757971981 /nfs/dbraw/zinc/97/19/81/757971981.db2.gz MMRZLWDDOGMBNX-VQHPVUNQSA-N 1 2 346.431 0.428 20 30 ECEDLO CO[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001212126834 757996255 /nfs/dbraw/zinc/99/62/55/757996255.db2.gz AOWHZXWZTOTSLQ-HUUCEWRRSA-N 1 2 347.419 0.182 20 30 ECEDLO CO[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001212126834 757996259 /nfs/dbraw/zinc/99/62/59/757996259.db2.gz AOWHZXWZTOTSLQ-HUUCEWRRSA-N 1 2 347.419 0.182 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)NC(=O)C3CCC3)nn2)C1 ZINC001107242040 757999957 /nfs/dbraw/zinc/99/99/57/757999957.db2.gz NPUPVVPZELNEES-GFCCVEGCSA-N 1 2 346.435 0.242 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)Cc3c(C)noc3C)nn2)C1 ZINC001107235413 758021966 /nfs/dbraw/zinc/02/19/66/758021966.db2.gz GCLNQKPMXPDPKK-UHFFFAOYSA-N 1 2 342.403 0.622 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](CC)N3CCCC3=O)nn2)C1 ZINC001107235426 758022844 /nfs/dbraw/zinc/02/28/44/758022844.db2.gz GOGRLGOFCHDTSJ-HNNXBMFYSA-N 1 2 346.435 0.338 20 30 ECEDLO N#Cc1cc(C(=O)N2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)c[nH]1 ZINC001022035942 758191775 /nfs/dbraw/zinc/19/17/75/758191775.db2.gz YXFIQPCFRQSCHX-SWLSCSKDSA-N 1 2 338.371 0.456 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H]1C ZINC001011660485 758231600 /nfs/dbraw/zinc/23/16/00/758231600.db2.gz ATOPDDNRHKKNHO-DGCLKSJQSA-N 1 2 340.387 0.880 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC/C=C\CNc1ncnc2c1C[N@H+](C)CC2 ZINC001107346418 758358497 /nfs/dbraw/zinc/35/84/97/758358497.db2.gz OZBVNKLSYDXHSP-GXMNPTEKSA-N 1 2 343.431 0.587 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC/C=C\CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001107346418 758358505 /nfs/dbraw/zinc/35/85/05/758358505.db2.gz OZBVNKLSYDXHSP-GXMNPTEKSA-N 1 2 343.431 0.587 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2scnc2C)C[C@H]1O ZINC001077158618 758373650 /nfs/dbraw/zinc/37/36/50/758373650.db2.gz OJMAIZUHZJMCPE-QLFBSQMISA-N 1 2 348.472 0.210 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2scnc2C)C[C@H]1O ZINC001077158618 758373659 /nfs/dbraw/zinc/37/36/59/758373659.db2.gz OJMAIZUHZJMCPE-QLFBSQMISA-N 1 2 348.472 0.210 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 ZINC001077164246 758393558 /nfs/dbraw/zinc/39/35/58/758393558.db2.gz JAKCKGVHXNZVBP-BRSBDYLESA-N 1 2 344.411 0.328 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 ZINC001077164246 758393563 /nfs/dbraw/zinc/39/35/63/758393563.db2.gz JAKCKGVHXNZVBP-BRSBDYLESA-N 1 2 344.411 0.328 20 30 ECEDLO Cc1ncn(C)c1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077177478 758414735 /nfs/dbraw/zinc/41/47/35/758414735.db2.gz REERSGWJVBIQKK-IAGOWNOFSA-N 1 2 338.411 0.555 20 30 ECEDLO Cc1ncn(C)c1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077177478 758414737 /nfs/dbraw/zinc/41/47/37/758414737.db2.gz REERSGWJVBIQKK-IAGOWNOFSA-N 1 2 338.411 0.555 20 30 ECEDLO N#Cc1cnc(NC/C=C\CNC(=O)[C@H]2CCn3c[nH+]cc3C2)cn1 ZINC001107390435 758417334 /nfs/dbraw/zinc/41/73/34/758417334.db2.gz VCTQRXKQODTZIP-FYDYADQUSA-N 1 2 337.387 0.892 20 30 ECEDLO CC#CCCCC(=O)N(C)[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1O ZINC001049246766 758426622 /nfs/dbraw/zinc/42/66/22/758426622.db2.gz ZWFIEMPRLYHKDJ-HOTGVXAUSA-N 1 2 346.431 0.484 20 30 ECEDLO Cn1ncc(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)c2c[nH]c(C#N)c2)n1 ZINC001049426734 758670823 /nfs/dbraw/zinc/67/08/23/758670823.db2.gz YKFISSUNAOHKKI-JKSUJKDBSA-N 1 2 339.403 0.894 20 30 ECEDLO Cn1ncc(C[N@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)c2c[nH]c(C#N)c2)n1 ZINC001049426734 758670827 /nfs/dbraw/zinc/67/08/27/758670827.db2.gz YKFISSUNAOHKKI-JKSUJKDBSA-N 1 2 339.403 0.894 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[C@@H](n2cc(C[NH2+]CCF)nn2)C1 ZINC001098669307 758953413 /nfs/dbraw/zinc/95/34/13/758953413.db2.gz MRMYQGUPJYUGCO-HIFRSBDPSA-N 1 2 325.388 0.438 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001011930474 758979977 /nfs/dbraw/zinc/97/99/77/758979977.db2.gz MQZDMMMVEDJXMZ-TZMCWYRMSA-N 1 2 340.387 0.892 20 30 ECEDLO CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CCS(=O)(=O)CC1 ZINC001049770464 759185392 /nfs/dbraw/zinc/18/53/92/759185392.db2.gz VEJYAXURNXOOEN-HOTGVXAUSA-N 1 2 338.473 0.900 20 30 ECEDLO CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CCS(=O)(=O)CC1 ZINC001049770464 759185396 /nfs/dbraw/zinc/18/53/96/759185396.db2.gz VEJYAXURNXOOEN-HOTGVXAUSA-N 1 2 338.473 0.900 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C)cn1 ZINC001012009819 759192514 /nfs/dbraw/zinc/19/25/14/759192514.db2.gz YAMMYQTUFGZBJX-WFASDCNBSA-N 1 2 337.383 0.748 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001012101856 759412301 /nfs/dbraw/zinc/41/23/01/759412301.db2.gz MAUCAGLSHHLIQB-IINYFYTJSA-N 1 2 326.360 0.571 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001012101858 759412670 /nfs/dbraw/zinc/41/26/70/759412670.db2.gz MAUCAGLSHHLIQB-QMTHXVAHSA-N 1 2 326.360 0.571 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001012131873 759437806 /nfs/dbraw/zinc/43/78/06/759437806.db2.gz VLANMZCJHANKLE-HOCLYGCPSA-N 1 2 348.447 0.460 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001012131873 759437814 /nfs/dbraw/zinc/43/78/14/759437814.db2.gz VLANMZCJHANKLE-HOCLYGCPSA-N 1 2 348.447 0.460 20 30 ECEDLO C[C@H](NC(=O)CCc1[nH]cc[nH+]1)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001050097557 759695448 /nfs/dbraw/zinc/69/54/48/759695448.db2.gz JENCYFROMQJGQK-QWHCGFSZSA-N 1 2 349.460 0.952 20 30 ECEDLO C[C@H](NC(=O)Cc1c[nH+]cn1C)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001050097562 759696901 /nfs/dbraw/zinc/69/69/01/759696901.db2.gz JFDKHTAQPOJOIU-STQMWFEESA-N 1 2 349.460 0.573 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001050099363 759700733 /nfs/dbraw/zinc/70/07/33/759700733.db2.gz YYVXWAWHHXVXED-DGCLKSJQSA-N 1 2 349.460 0.871 20 30 ECEDLO CC[C@H]([NH2+]Cc1cn([C@H]2CCN(C(=O)C#CC(C)C)C2)nn1)C(N)=O ZINC001098672864 760035658 /nfs/dbraw/zinc/03/56/58/760035658.db2.gz JUIQHKDTNHSBSD-GJZGRUSLSA-N 1 2 346.435 0.064 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H]([C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001050296073 760076129 /nfs/dbraw/zinc/07/61/29/760076129.db2.gz AXBMCTMBIGNFSH-GXTWGEPZSA-N 1 2 334.420 0.816 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001012505117 760124204 /nfs/dbraw/zinc/12/42/04/760124204.db2.gz ZTIDTOYBAQXUDA-QMTHXVAHSA-N 1 2 326.360 0.571 20 30 ECEDLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000945385779 760179629 /nfs/dbraw/zinc/17/96/29/760179629.db2.gz QSHOAYQYLYFYEL-DOMZBBRYSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001050403577 760233034 /nfs/dbraw/zinc/23/30/34/760233034.db2.gz JTQJXXBQTLPAGV-AAEUAGOBSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001050414753 760242902 /nfs/dbraw/zinc/24/29/02/760242902.db2.gz ZECJRIHXUQQLSX-DGCLKSJQSA-N 1 2 340.387 0.819 20 30 ECEDLO C[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@H]2CNc2cnc(C#N)cn2)C1 ZINC001060225682 760502923 /nfs/dbraw/zinc/50/29/23/760502923.db2.gz XAVVNVMPPAVONR-LSDHHAIUSA-N 1 2 344.419 0.472 20 30 ECEDLO C[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@H]2CNc2cnc(C#N)cn2)C1 ZINC001060225682 760502930 /nfs/dbraw/zinc/50/29/30/760502930.db2.gz XAVVNVMPPAVONR-LSDHHAIUSA-N 1 2 344.419 0.472 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2NC/C=C\CNC(=O)c1c[nH]c(C#N)c1 ZINC001107130188 760535261 /nfs/dbraw/zinc/53/52/61/760535261.db2.gz HBQUWOWROAETAA-IHWYPQMZSA-N 1 2 336.359 0.961 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001012908424 760805283 /nfs/dbraw/zinc/80/52/83/760805283.db2.gz OPNMVROFGCBDNN-NHYWBVRUSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001012908424 760805295 /nfs/dbraw/zinc/80/52/95/760805295.db2.gz OPNMVROFGCBDNN-NHYWBVRUSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cn1cc[nH+]c1 ZINC001013032010 760977246 /nfs/dbraw/zinc/97/72/46/760977246.db2.gz KOSOKQXNTAXGSS-YPMHNXCESA-N 1 2 326.360 0.502 20 30 ECEDLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C#N)c[nH]1 ZINC001017454181 768001162 /nfs/dbraw/zinc/00/11/62/768001162.db2.gz GOFCVVXHBSHARX-FPMFFAJLSA-N 1 2 329.404 0.652 20 30 ECEDLO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C#N)c[nH]1 ZINC001017454181 768001167 /nfs/dbraw/zinc/00/11/67/768001167.db2.gz GOFCVVXHBSHARX-FPMFFAJLSA-N 1 2 329.404 0.652 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnnn3C(C)(C)C)C[C@@H]2C1 ZINC001048727571 761054978 /nfs/dbraw/zinc/05/49/78/761054978.db2.gz LMAQGKKTNCPIJW-RWMBFGLXSA-N 1 2 331.424 0.478 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3nnnn3C(C)(C)C)C[C@@H]2C1 ZINC001048727571 761054987 /nfs/dbraw/zinc/05/49/87/761054987.db2.gz LMAQGKKTNCPIJW-RWMBFGLXSA-N 1 2 331.424 0.478 20 30 ECEDLO C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001048768924 761147649 /nfs/dbraw/zinc/14/76/49/761147649.db2.gz BWLAAWBLVAFIJB-KBPBESRZSA-N 1 2 334.420 0.729 20 30 ECEDLO C=CCN1CCOC[C@H]1CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001050925070 761153316 /nfs/dbraw/zinc/15/33/16/761153316.db2.gz OCOBWCYNUIEWFM-CJNGLKHVSA-N 1 2 333.436 0.793 20 30 ECEDLO C=CCN1CCOC[C@H]1CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001050925070 761153322 /nfs/dbraw/zinc/15/33/22/761153322.db2.gz OCOBWCYNUIEWFM-CJNGLKHVSA-N 1 2 333.436 0.793 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cncc2ncn(C)c21 ZINC001050960383 761227092 /nfs/dbraw/zinc/22/70/92/761227092.db2.gz HFRRGLNTUPIVNT-CYBMUJFWSA-N 1 2 329.404 0.975 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cncc2ncn(C)c21 ZINC001050960383 761227097 /nfs/dbraw/zinc/22/70/97/761227097.db2.gz HFRRGLNTUPIVNT-CYBMUJFWSA-N 1 2 329.404 0.975 20 30 ECEDLO C=C[C@](C)(CCOC)C(=O)N1CCC(OC2C[NH+](CCO)C2)CC1 ZINC001105717502 761291186 /nfs/dbraw/zinc/29/11/86/761291186.db2.gz YSXYDDRSHNQEQS-GOSISDBHSA-N 1 2 340.464 0.899 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)CCn1cc[nH+]c1 ZINC001013404891 761372292 /nfs/dbraw/zinc/37/22/92/761372292.db2.gz IAFGUJNEOCRTLR-DOMZBBRYSA-N 1 2 340.387 0.892 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)CCn1cc[nH+]c1 ZINC001013407955 761375461 /nfs/dbraw/zinc/37/54/61/761375461.db2.gz RUDJGXZOGYVACC-JSGCOSHPSA-N 1 2 340.387 0.892 20 30 ECEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)c3ccn(C)n3)CC2)C1 ZINC001105733870 761408351 /nfs/dbraw/zinc/40/83/51/761408351.db2.gz OIOQLMXELZGFNC-UHFFFAOYSA-N 1 2 348.447 0.928 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCc2cnn(C)c2C1 ZINC001051086872 761464811 /nfs/dbraw/zinc/46/48/11/761464811.db2.gz NXLAOYXHYMVNFL-GOEBONIOSA-N 1 2 332.448 0.918 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCc2cnn(C)c2C1 ZINC001051086872 761464815 /nfs/dbraw/zinc/46/48/15/761464815.db2.gz NXLAOYXHYMVNFL-GOEBONIOSA-N 1 2 332.448 0.918 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001051125486 761526387 /nfs/dbraw/zinc/52/63/87/761526387.db2.gz RWNFXJBTEFWVLF-UONOGXRCSA-N 1 2 334.424 0.019 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001051125486 761526390 /nfs/dbraw/zinc/52/63/90/761526390.db2.gz RWNFXJBTEFWVLF-UONOGXRCSA-N 1 2 334.424 0.019 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC001051224917 761716630 /nfs/dbraw/zinc/71/66/30/761716630.db2.gz DTHKMXDKUZHLPW-GFCCVEGCSA-N 1 2 343.387 0.737 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC001051224917 761716633 /nfs/dbraw/zinc/71/66/33/761716633.db2.gz DTHKMXDKUZHLPW-GFCCVEGCSA-N 1 2 343.387 0.737 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1nc2nccc(C)n2n1 ZINC001051230257 761726150 /nfs/dbraw/zinc/72/61/50/761726150.db2.gz HIBKFZIGPYWGKC-AWEZNQCLSA-N 1 2 344.419 0.830 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1nc2nccc(C)n2n1 ZINC001051230257 761726156 /nfs/dbraw/zinc/72/61/56/761726156.db2.gz HIBKFZIGPYWGKC-AWEZNQCLSA-N 1 2 344.419 0.830 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(c2ccncc2C#N)C[C@H]1O ZINC001051711069 762762326 /nfs/dbraw/zinc/76/23/26/762762326.db2.gz HAELLZDYHVSGSF-XJKSGUPXSA-N 1 2 340.387 0.283 20 30 ECEDLO Cc1nc(N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](O)C2)ccc1C#N ZINC001051719125 762790969 /nfs/dbraw/zinc/79/09/69/762790969.db2.gz RUDUKRAASAOFQI-KBPBESRZSA-N 1 2 340.387 0.283 20 30 ECEDLO Cc1nc(N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](O)C2)ccc1C#N ZINC001051719130 762791086 /nfs/dbraw/zinc/79/10/86/762791086.db2.gz RUDUKRAASAOFQI-ZIAGYGMSSA-N 1 2 340.387 0.283 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nnc(C)o3)C2)cc1 ZINC001051747046 762860899 /nfs/dbraw/zinc/86/08/99/762860899.db2.gz IBLHGTVGRBNHHU-INIZCTEOSA-N 1 2 340.383 0.990 20 30 ECEDLO N#Cc1cnc(N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](O)C2)c(F)c1 ZINC001051790160 762970963 /nfs/dbraw/zinc/97/09/63/762970963.db2.gz TUTIHNOYAHSGSR-UONOGXRCSA-N 1 2 344.350 0.114 20 30 ECEDLO Cc1cc(N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](O)C2)c(C#N)cn1 ZINC001051791005 762975720 /nfs/dbraw/zinc/97/57/20/762975720.db2.gz ZHILMCBOXKUETK-ZBFHGGJFSA-N 1 2 340.387 0.283 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCO[C@@H](C[NH2+]Cc3cnsn3)C2)c1 ZINC001051817450 763033770 /nfs/dbraw/zinc/03/37/70/763033770.db2.gz SFWPBGIQVUXZHH-HNNXBMFYSA-N 1 2 343.412 0.545 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC000991737136 763057550 /nfs/dbraw/zinc/05/75/50/763057550.db2.gz XBMYLPQYWYLIDA-QWHCGFSZSA-N 1 2 334.420 0.633 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001105970834 763127835 /nfs/dbraw/zinc/12/78/35/763127835.db2.gz NMNFJKXJAGAQPF-GXTWGEPZSA-N 1 2 332.404 0.590 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NCC1=CCN(c2cncc(C#N)n2)CC1 ZINC001127664667 763184038 /nfs/dbraw/zinc/18/40/38/763184038.db2.gz UHIDGZOBEXIJQU-UHFFFAOYSA-N 1 2 337.387 0.577 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2O)CC1 ZINC000991753579 763242237 /nfs/dbraw/zinc/24/22/37/763242237.db2.gz LYYHLLODGIGMTN-HUUCEWRRSA-N 1 2 346.431 0.777 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106305030 768118193 /nfs/dbraw/zinc/11/81/93/768118193.db2.gz UMJZHCQGHYOKIM-MEDUHNTESA-N 1 2 336.440 0.880 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNc1[nH+]cnc2c1cnn2C ZINC001106305174 768118797 /nfs/dbraw/zinc/11/87/97/768118797.db2.gz VQHLJOGGDKSKLO-MEDUHNTESA-N 1 2 332.408 0.997 20 30 ECEDLO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001054646695 768123563 /nfs/dbraw/zinc/12/35/63/768123563.db2.gz AIVWBQJIQZNWPF-OCCSQVGLSA-N 1 2 330.436 0.778 20 30 ECEDLO CNC(=O)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046930950 763408707 /nfs/dbraw/zinc/40/87/07/763408707.db2.gz MWTHDDOYLUWKAW-SNVBAGLBSA-N 1 2 339.346 0.319 20 30 ECEDLO CNC(=O)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046930950 763408716 /nfs/dbraw/zinc/40/87/16/763408716.db2.gz MWTHDDOYLUWKAW-SNVBAGLBSA-N 1 2 339.346 0.319 20 30 ECEDLO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001046953152 763452437 /nfs/dbraw/zinc/45/24/37/763452437.db2.gz AVPFNGXCXQYWGM-STQMWFEESA-N 1 2 348.415 0.518 20 30 ECEDLO C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001046953152 763452446 /nfs/dbraw/zinc/45/24/46/763452446.db2.gz AVPFNGXCXQYWGM-STQMWFEESA-N 1 2 348.415 0.518 20 30 ECEDLO C=CCN1CC[C@@H](N2CC[NH+]([C@H]3CCN(C(=O)C(C)C)C3)CC2)C1=O ZINC001051984187 763516261 /nfs/dbraw/zinc/51/62/61/763516261.db2.gz DAHFCIUIBQHGAU-DLBZAZTESA-N 1 2 348.491 0.648 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN([C@H]3CCN(C(=O)C(C)C)C3)CC2)C1=O ZINC001051984187 763516264 /nfs/dbraw/zinc/51/62/64/763516264.db2.gz DAHFCIUIBQHGAU-DLBZAZTESA-N 1 2 348.491 0.648 20 30 ECEDLO CCc1noc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)n1 ZINC001051997822 763548328 /nfs/dbraw/zinc/54/83/28/763548328.db2.gz JEVLPFOCDCYWPL-ZIAGYGMSSA-N 1 2 346.435 0.510 20 30 ECEDLO Cc1nn(C)cc1CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001051998373 763551065 /nfs/dbraw/zinc/55/10/65/763551065.db2.gz SAKLKIXZIPAUGQ-YOEHRIQHSA-N 1 2 344.463 0.607 20 30 ECEDLO Cc1nn(C)cc1C[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001051998373 763551070 /nfs/dbraw/zinc/55/10/70/763551070.db2.gz SAKLKIXZIPAUGQ-YOEHRIQHSA-N 1 2 344.463 0.607 20 30 ECEDLO CN1C(=O)CC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031917181 763558621 /nfs/dbraw/zinc/55/86/21/763558621.db2.gz PWPSTBFQPVZIGC-MRXNPFEDSA-N 1 2 344.390 0.866 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(C)ncn3)C2)CC1 ZINC001052016523 763592228 /nfs/dbraw/zinc/59/22/28/763592228.db2.gz XGGPEOJQSYGEHR-INIZCTEOSA-N 1 2 327.432 0.640 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]([NH+]2CCN(Cc3csnn3)CC2)C1 ZINC001052025464 763615450 /nfs/dbraw/zinc/61/54/50/763615450.db2.gz FFOFHZBWQGCBCN-MRXNPFEDSA-N 1 2 345.472 0.670 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]([NH+]2CCN(Cc3cnon3)CC2)C1 ZINC001052025962 763617021 /nfs/dbraw/zinc/61/70/21/763617021.db2.gz LVBSGSMTMIVCAW-INIZCTEOSA-N 1 2 329.404 0.202 20 30 ECEDLO Cn1cncc1CN1CC[NH+]([C@H]2CCN(C(=O)C#CC3CC3)C2)CC1 ZINC001052026800 763620083 /nfs/dbraw/zinc/62/00/83/763620083.db2.gz UARCSEZUTRXTOG-KRWDZBQOSA-N 1 2 341.459 0.552 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)C2)CC1 ZINC001052033998 763637581 /nfs/dbraw/zinc/63/75/81/763637581.db2.gz YUGJBMLESNGOAG-IAGOWNOFSA-N 1 2 346.475 0.095 20 30 ECEDLO Cn1nc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)cc1C1CC1 ZINC001052035838 763644921 /nfs/dbraw/zinc/64/49/21/763644921.db2.gz RKFXLKORGSMFHW-HNNXBMFYSA-N 1 2 342.447 0.653 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc(C)nc3OC)C2)CC1 ZINC001052035885 763645393 /nfs/dbraw/zinc/64/53/93/763645393.db2.gz SNSMDWVWNZXGEH-OAHLLOKOSA-N 1 2 343.431 0.259 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnc(C)nc3OC)C2)CC1 ZINC001052035885 763645396 /nfs/dbraw/zinc/64/53/96/763645396.db2.gz SNSMDWVWNZXGEH-OAHLLOKOSA-N 1 2 343.431 0.259 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc4n(n3)CCCC4)C2)CC1 ZINC001052040441 763660951 /nfs/dbraw/zinc/66/09/51/763660951.db2.gz GEMWJWKXMPARSB-INIZCTEOSA-N 1 2 342.447 0.575 20 30 ECEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@H]2CCn3c[nH+]cc3C2)cn1 ZINC001106008014 763663917 /nfs/dbraw/zinc/66/39/17/763663917.db2.gz UORDOUFOJDDJGR-BLLLJJGKSA-N 1 2 340.387 0.301 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cn3nc(C)cc3C)C2)CC1 ZINC001052050498 763706688 /nfs/dbraw/zinc/70/66/88/763706688.db2.gz VRRSFRVCAPVESR-QGZVFWFLSA-N 1 2 329.448 0.352 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnc(Cl)n3C)C2)CC1 ZINC001052052655 763716725 /nfs/dbraw/zinc/71/67/25/763716725.db2.gz SUCNYXJEUYUKDF-AWEZNQCLSA-N 1 2 349.866 0.929 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001052055112 763723028 /nfs/dbraw/zinc/72/30/28/763723028.db2.gz HLTYMTMQZHUVHX-WXJALIKYSA-N 1 2 343.471 0.652 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3occ4c3CCOC4)C2)CC1 ZINC001052056272 763727234 /nfs/dbraw/zinc/72/72/34/763727234.db2.gz WSJPZCJLYCPYEQ-INIZCTEOSA-N 1 2 343.427 0.818 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3occ4c3CCOC4)C2)CC1 ZINC001052056272 763727243 /nfs/dbraw/zinc/72/72/43/763727243.db2.gz WSJPZCJLYCPYEQ-INIZCTEOSA-N 1 2 343.427 0.818 20 30 ECEDLO CC(C)n1cnc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)c1 ZINC001052057416 763731115 /nfs/dbraw/zinc/73/11/15/763731115.db2.gz OFBBHADLTLDQMW-OAHLLOKOSA-N 1 2 330.436 0.820 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([NH+]2CCN([C@@H]3CCNC3=O)CC2)C1 ZINC001052060190 763739841 /nfs/dbraw/zinc/73/98/41/763739841.db2.gz ZIFHJBJALSMOPI-JKSUJKDBSA-N 1 2 348.491 0.696 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C3(c4cccnc4)CC3)C2)CC1 ZINC001052068655 763763401 /nfs/dbraw/zinc/76/34/01/763763401.db2.gz MALMKWNRORBGKX-SFHVURJKSA-N 1 2 338.455 0.965 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@]3(C)CCCOC3)C2)nn1 ZINC001098758285 763766010 /nfs/dbraw/zinc/76/60/10/763766010.db2.gz YWDUBWCNRDVOOX-FUHWJXTLSA-N 1 2 345.447 0.981 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3Cc4ccncc4C3)C2)CC1 ZINC001052083114 763804156 /nfs/dbraw/zinc/80/41/56/763804156.db2.gz JMIVEIVYUCUCBI-PKOBYXMFSA-N 1 2 338.455 0.648 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3nccn4ccnc34)CC2)C1 ZINC000941570857 763805602 /nfs/dbraw/zinc/80/56/02/763805602.db2.gz FFGYHBXTVHFPKR-UHFFFAOYSA-N 1 2 338.415 0.195 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)C3(CF)CCOCC3)C2)CC1 ZINC001052083519 763805688 /nfs/dbraw/zinc/80/56/88/763805688.db2.gz MMGVDRUSXBANCY-OAHLLOKOSA-N 1 2 338.427 0.495 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)CCc3cnn(C)n3)C2)CC1 ZINC001052084317 763808046 /nfs/dbraw/zinc/80/80/46/763808046.db2.gz VDKDNIJFXWGNDC-KRWDZBQOSA-N 1 2 346.479 0.542 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)CC1 ZINC001052086215 763814031 /nfs/dbraw/zinc/81/40/31/763814031.db2.gz PGQYZZUTYOVBFO-IKGGRYGDSA-N 1 2 346.475 0.130 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)Cn3nccc3C)C2)CC1 ZINC001052088518 763822244 /nfs/dbraw/zinc/82/22/44/763822244.db2.gz KPSUGVBUGOAGCP-KRWDZBQOSA-N 1 2 329.448 0.433 20 30 ECEDLO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)nc(C)n1 ZINC001052097477 763850998 /nfs/dbraw/zinc/85/09/98/763850998.db2.gz ZKIDLHMGNDFHKT-OAHLLOKOSA-N 1 2 328.420 0.449 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(CC)nn3C)C2)CC1 ZINC001052100578 763861868 /nfs/dbraw/zinc/86/18/68/763861868.db2.gz GDAHCEPSCRKMBJ-KRWDZBQOSA-N 1 2 343.475 0.838 20 30 ECEDLO CCc1cc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)n(C)n1 ZINC001052101384 763862671 /nfs/dbraw/zinc/86/26/71/763862671.db2.gz OVROKOOSGOAXLO-HNNXBMFYSA-N 1 2 330.436 0.338 20 30 ECEDLO CN(C(=O)C1CCOCC1)[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047277735 763865923 /nfs/dbraw/zinc/86/59/23/763865923.db2.gz GDIZHHBNJPQRIV-ROUUACIJSA-N 1 2 343.427 0.988 20 30 ECEDLO CN(C(=O)C1CCOCC1)[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047277735 763865927 /nfs/dbraw/zinc/86/59/27/763865927.db2.gz GDIZHHBNJPQRIV-ROUUACIJSA-N 1 2 343.427 0.988 20 30 ECEDLO CC(C)Cn1cc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)cn1 ZINC001052102388 763866502 /nfs/dbraw/zinc/86/65/02/763866502.db2.gz FMOLVCMVGVOVNM-KRWDZBQOSA-N 1 2 344.463 0.895 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn(C(C)C)nn3)C2)CC1 ZINC001052104005 763870787 /nfs/dbraw/zinc/87/07/87/763870787.db2.gz WVZXJHNOMVSGEX-OAHLLOKOSA-N 1 2 330.436 0.324 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn(C(C)C)nn3)C2)CC1 ZINC001052104005 763870793 /nfs/dbraw/zinc/87/07/93/763870793.db2.gz WVZXJHNOMVSGEX-OAHLLOKOSA-N 1 2 330.436 0.324 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc(OC)nc3)C2)CC1 ZINC001052105785 763877360 /nfs/dbraw/zinc/87/73/60/763877360.db2.gz PEIUGJUCTDUQMS-HNNXBMFYSA-N 1 2 331.420 0.503 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn(C)nc3Cl)C2)CC1 ZINC001052106905 763883421 /nfs/dbraw/zinc/88/34/21/763883421.db2.gz WLBVVWVKADYZNS-AWEZNQCLSA-N 1 2 349.866 0.929 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)Oc3ccccn3)C2)CC1 ZINC001052108140 763890840 /nfs/dbraw/zinc/89/08/40/763890840.db2.gz KECVEZAXCDRHSJ-DLBZAZTESA-N 1 2 342.443 0.701 20 30 ECEDLO CN(C(=O)[C@H]1CCCO1)[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001047296176 763913303 /nfs/dbraw/zinc/91/33/03/763913303.db2.gz ZHIVBEPKGXSVOG-YESZJQIVSA-N 1 2 347.390 0.880 20 30 ECEDLO CN(C(=O)[C@H]1CCCO1)[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001047296176 763913311 /nfs/dbraw/zinc/91/33/11/763913311.db2.gz ZHIVBEPKGXSVOG-YESZJQIVSA-N 1 2 347.390 0.880 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3n[nH]c4ccccc43)C2)CC1 ZINC001052115771 763920451 /nfs/dbraw/zinc/92/04/51/763920451.db2.gz ZVRNHNBFCVSFRN-AWEZNQCLSA-N 1 2 338.415 0.919 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3ccoc3)C2)C1=O ZINC001047304695 763935391 /nfs/dbraw/zinc/93/53/91/763935391.db2.gz QESIAKMLJZEOEC-KKUMJFAQSA-N 1 2 333.388 0.184 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3ccoc3)C2)C1=O ZINC001047304695 763935399 /nfs/dbraw/zinc/93/53/99/763935399.db2.gz QESIAKMLJZEOEC-KKUMJFAQSA-N 1 2 333.388 0.184 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](CC)N3CCCC3=O)C2)CC1 ZINC001052120126 763938223 /nfs/dbraw/zinc/93/82/23/763938223.db2.gz ZABOUUZIIJJNDQ-IRXDYDNUSA-N 1 2 346.475 0.239 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)n3nc(C)cc3C)C2)CC1 ZINC001052121819 763943564 /nfs/dbraw/zinc/94/35/64/763943564.db2.gz HVQLQLIEUVGOIH-ROUUACIJSA-N 1 2 343.475 0.913 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(N(C)C)ccn3)C2)CC1 ZINC001052121835 763943757 /nfs/dbraw/zinc/94/37/57/763943757.db2.gz ILSSCXKIDTWRKY-KRWDZBQOSA-N 1 2 341.459 0.613 20 30 ECEDLO C=C(Cl)CN1CCN([C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001052123099 763948815 /nfs/dbraw/zinc/94/88/15/763948815.db2.gz BNIQABVOSBMSNM-HNNXBMFYSA-N 1 2 337.855 0.854 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc(OCC)cn3)C2)CC1 ZINC001052125182 763952726 /nfs/dbraw/zinc/95/27/26/763952726.db2.gz LMVLVYYLWJJKAB-OAHLLOKOSA-N 1 2 345.447 0.893 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NC[C@H](O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106041582 764046050 /nfs/dbraw/zinc/04/60/50/764046050.db2.gz CIROPYOLWRNIBM-LBPRGKRZSA-N 1 2 336.440 0.737 20 30 ECEDLO C=CCOCC(=O)N1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001052215885 764067660 /nfs/dbraw/zinc/06/76/60/764067660.db2.gz SONUKEJRQHMEIE-HUUCEWRRSA-N 1 2 334.420 0.687 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1C[N@H+](Cc2cncs2)C[C@@H]1O ZINC001047354035 764091719 /nfs/dbraw/zinc/09/17/19/764091719.db2.gz RZQBQTDGSVILDG-KBPBESRZSA-N 1 2 331.401 0.660 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1C[N@@H+](Cc2cncs2)C[C@@H]1O ZINC001047354035 764091728 /nfs/dbraw/zinc/09/17/28/764091728.db2.gz RZQBQTDGSVILDG-KBPBESRZSA-N 1 2 331.401 0.660 20 30 ECEDLO Cn1ncnc1C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001052284563 764192094 /nfs/dbraw/zinc/19/20/94/764192094.db2.gz DPYYBJVMPQNCEL-CYBMUJFWSA-N 1 2 327.392 0.799 20 30 ECEDLO Cn1ncnc1C[N@H+]1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001052284563 764192097 /nfs/dbraw/zinc/19/20/97/764192097.db2.gz DPYYBJVMPQNCEL-CYBMUJFWSA-N 1 2 327.392 0.799 20 30 ECEDLO CC#CCCCC(=O)NC[C@@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001106063255 764248046 /nfs/dbraw/zinc/24/80/46/764248046.db2.gz XBJLHYDAJCYFAN-GFCCVEGCSA-N 1 2 330.392 0.446 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1C(=O)c1c[nH]c(C#N)c1 ZINC001015258592 764258665 /nfs/dbraw/zinc/25/86/65/764258665.db2.gz AHXRPBWXALTGDE-NHYWBVRUSA-N 1 2 340.387 0.961 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cccc(OC)n3)C2)nn1 ZINC001098763504 764361655 /nfs/dbraw/zinc/36/16/55/764361655.db2.gz YTFQWISQXWUTGK-AWEZNQCLSA-N 1 2 340.387 0.492 20 30 ECEDLO C[C@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CNC(=O)C1 ZINC001015374723 764470553 /nfs/dbraw/zinc/47/05/53/764470553.db2.gz GKTLNGNQHVWMRP-KBXCAEBGSA-N 1 2 344.390 0.914 20 30 ECEDLO C[C@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CNC(=O)C1 ZINC001015374723 764470559 /nfs/dbraw/zinc/47/05/59/764470559.db2.gz GKTLNGNQHVWMRP-KBXCAEBGSA-N 1 2 344.390 0.914 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1c1ncccn1 ZINC001017633703 768222314 /nfs/dbraw/zinc/22/23/14/768222314.db2.gz IKERCTZCSQKBAC-XHSDSOJGSA-N 1 2 325.416 0.754 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1c1ncccn1 ZINC001017633703 768222319 /nfs/dbraw/zinc/22/23/19/768222319.db2.gz IKERCTZCSQKBAC-XHSDSOJGSA-N 1 2 325.416 0.754 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3coc(OC)n3)C2)C1=O ZINC001015412232 764563522 /nfs/dbraw/zinc/56/35/22/764563522.db2.gz JSDDKZUBADUYGW-WCQYABFASA-N 1 2 334.376 0.274 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3coc(OC)n3)C2)C1=O ZINC001015412232 764563528 /nfs/dbraw/zinc/56/35/28/764563528.db2.gz JSDDKZUBADUYGW-WCQYABFASA-N 1 2 334.376 0.274 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC001052471196 764572927 /nfs/dbraw/zinc/57/29/27/764572927.db2.gz HVRRWLIYPJZHCT-LSDHHAIUSA-N 1 2 346.431 0.593 20 30 ECEDLO C=CCn1cc(C(=O)N(C)[C@H]2C[N@H+](Cc3ccccn3)C[C@@H]2O)nn1 ZINC001047554237 764680716 /nfs/dbraw/zinc/68/07/16/764680716.db2.gz QANQOADBGINDNA-HOTGVXAUSA-N 1 2 342.403 0.176 20 30 ECEDLO C=CCn1cc(C(=O)N(C)[C@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2O)nn1 ZINC001047554237 764680724 /nfs/dbraw/zinc/68/07/24/764680724.db2.gz QANQOADBGINDNA-HOTGVXAUSA-N 1 2 342.403 0.176 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)[C@H]1C ZINC001088977521 764684450 /nfs/dbraw/zinc/68/44/50/764684450.db2.gz DAUIWNPSBYDHEF-BDAKNGLRSA-N 1 2 342.783 0.842 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)[C@H]1C ZINC001088977521 764684454 /nfs/dbraw/zinc/68/44/54/764684454.db2.gz DAUIWNPSBYDHEF-BDAKNGLRSA-N 1 2 342.783 0.842 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(-c3nc[nH]n3)n2)C1 ZINC001047561930 764696496 /nfs/dbraw/zinc/69/64/96/764696496.db2.gz CGOLYQDUAHSUBW-RYUDHWBXSA-N 1 2 346.416 0.069 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(-c3nc[nH]n3)n2)C1 ZINC001047561930 764696503 /nfs/dbraw/zinc/69/65/03/764696503.db2.gz CGOLYQDUAHSUBW-RYUDHWBXSA-N 1 2 346.416 0.069 20 30 ECEDLO C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001052547956 764732715 /nfs/dbraw/zinc/73/27/15/764732715.db2.gz LAYAEOVLTKDDFM-DZGCQCFKSA-N 1 2 328.416 0.587 20 30 ECEDLO C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001052550285 764739457 /nfs/dbraw/zinc/73/94/57/764739457.db2.gz ZTDPNNIEGIAERC-ZFWWWQNUSA-N 1 2 328.416 0.966 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NCCCC)C[C@H]1OC ZINC001212194025 764761175 /nfs/dbraw/zinc/76/11/75/764761175.db2.gz MYNFEUCYNCUWCI-CKEIUWERSA-N 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C#CCOCCC(=O)N1C[C@H](C)[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001052598753 764826696 /nfs/dbraw/zinc/82/66/96/764826696.db2.gz IUIOHPNRQGODHY-ZFWWWQNUSA-N 1 2 346.431 0.511 20 30 ECEDLO CN1C[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)NC1=O ZINC001015514438 764851215 /nfs/dbraw/zinc/85/12/15/764851215.db2.gz QMAPTDHLUSLADV-ZFWWWQNUSA-N 1 2 345.378 0.411 20 30 ECEDLO CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)NC1=O ZINC001015514438 764851221 /nfs/dbraw/zinc/85/12/21/764851221.db2.gz QMAPTDHLUSLADV-ZFWWWQNUSA-N 1 2 345.378 0.411 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)[nH]1 ZINC001015544323 764920537 /nfs/dbraw/zinc/92/05/37/764920537.db2.gz GZMZMJRZYCOQHX-RYUDHWBXSA-N 1 2 340.387 0.867 20 30 ECEDLO C=CCOCC(=O)N(C)CCOCCNc1[nH+]cnc2c1cnn2C ZINC001127217830 765036181 /nfs/dbraw/zinc/03/61/81/765036181.db2.gz NRJGFMDTVSLQJK-UHFFFAOYSA-N 1 2 348.407 0.453 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ncnn3C)CC2)nn1 ZINC001052774891 765098416 /nfs/dbraw/zinc/09/84/16/765098416.db2.gz NARYVEKPOWWJSY-CYBMUJFWSA-N 1 2 344.423 0.377 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ncnn3C)CC2)nn1 ZINC001052774891 765098425 /nfs/dbraw/zinc/09/84/25/765098425.db2.gz NARYVEKPOWWJSY-CYBMUJFWSA-N 1 2 344.423 0.377 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c1 ZINC001015633812 765106595 /nfs/dbraw/zinc/10/65/95/765106595.db2.gz JAVTUKFTEABBMB-JSGCOSHPSA-N 1 2 331.351 0.069 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c1 ZINC001015633812 765106600 /nfs/dbraw/zinc/10/66/00/765106600.db2.gz JAVTUKFTEABBMB-JSGCOSHPSA-N 1 2 331.351 0.069 20 30 ECEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001052799671 765143368 /nfs/dbraw/zinc/14/33/68/765143368.db2.gz SFHDGIXMMBCLQM-LBPRGKRZSA-N 1 2 330.392 0.228 20 30 ECEDLO C=CC[N@H+]1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001052799671 765143372 /nfs/dbraw/zinc/14/33/72/765143372.db2.gz SFHDGIXMMBCLQM-LBPRGKRZSA-N 1 2 330.392 0.228 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CCOCC3)C2)C1 ZINC001015674206 765146534 /nfs/dbraw/zinc/14/65/34/765146534.db2.gz WRFHYPVRWVPLHU-OAHLLOKOSA-N 1 2 335.448 0.828 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CCOCC3)C2)C1 ZINC001015674206 765146537 /nfs/dbraw/zinc/14/65/37/765146537.db2.gz WRFHYPVRWVPLHU-OAHLLOKOSA-N 1 2 335.448 0.828 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001099224649 768269988 /nfs/dbraw/zinc/26/99/88/768269988.db2.gz MHKCHFSLHJBGKS-FBIMIBRVSA-N 1 2 330.314 0.454 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000992068290 765355477 /nfs/dbraw/zinc/35/54/77/765355477.db2.gz YBOPPSGADWJZKI-KGLIPLIRSA-N 1 2 346.431 0.996 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)C#CC2CC2)C1 ZINC001053108750 765587702 /nfs/dbraw/zinc/58/77/02/765587702.db2.gz JBHZUDJWXGELFI-DOMZBBRYSA-N 1 2 328.416 0.885 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC001015968624 765636973 /nfs/dbraw/zinc/63/69/73/765636973.db2.gz FAXCSBNRGJPNDN-KBPBESRZSA-N 1 2 344.415 0.681 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC001015968624 765636977 /nfs/dbraw/zinc/63/69/77/765636977.db2.gz FAXCSBNRGJPNDN-KBPBESRZSA-N 1 2 344.415 0.681 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001015968626 765636990 /nfs/dbraw/zinc/63/69/90/765636990.db2.gz FAXCSBNRGJPNDN-UONOGXRCSA-N 1 2 344.415 0.681 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001015968626 765636994 /nfs/dbraw/zinc/63/69/94/765636994.db2.gz FAXCSBNRGJPNDN-UONOGXRCSA-N 1 2 344.415 0.681 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1CNC(=O)C#CC1CC1 ZINC001053150869 765661079 /nfs/dbraw/zinc/66/10/79/765661079.db2.gz PSERRTOEPWFUKC-HOCLYGCPSA-N 1 2 342.443 0.977 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(Cl)no3)C2)C1=O ZINC001016057072 765750297 /nfs/dbraw/zinc/75/02/97/765750297.db2.gz SADFNTCERAQZPF-MNOVXSKESA-N 1 2 338.795 0.919 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cc(Cl)no3)C2)C1=O ZINC001016057072 765750299 /nfs/dbraw/zinc/75/02/99/765750299.db2.gz SADFNTCERAQZPF-MNOVXSKESA-N 1 2 338.795 0.919 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)COc1c(C)nn(C)c1C)CCO2 ZINC001053254779 765850406 /nfs/dbraw/zinc/85/04/06/765850406.db2.gz RZUAMZMGYAKHCO-UHFFFAOYSA-N 1 2 348.447 0.905 20 30 ECEDLO CC#CCN1CC2(C1)CN(C(=O)C(C)(C)n1c[nH+]c(C)c1)CCO2 ZINC001053302598 765938068 /nfs/dbraw/zinc/93/80/68/765938068.db2.gz VZEMBJFKCDBFKD-UHFFFAOYSA-N 1 2 330.432 0.863 20 30 ECEDLO C#CCN1CC2(C1)CN(C(=O)[C@H]1CCc3[nH+]c(C)[nH]c3C1)CCO2 ZINC001053316140 765957077 /nfs/dbraw/zinc/95/70/77/765957077.db2.gz MYXBTWYAUSKBOM-AWEZNQCLSA-N 1 2 328.416 0.369 20 30 ECEDLO C#CCN1CC2(C1)CN(C(=O)[C@H]1CCc3[nH]c(C)[nH+]c3C1)CCO2 ZINC001053316140 765957084 /nfs/dbraw/zinc/95/70/84/765957084.db2.gz MYXBTWYAUSKBOM-AWEZNQCLSA-N 1 2 328.416 0.369 20 30 ECEDLO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1ccc(C(N)=O)o1)CCO2 ZINC001053334512 765993328 /nfs/dbraw/zinc/99/33/28/765993328.db2.gz WFLHQRUTSLMOFI-UHFFFAOYSA-N 1 2 333.388 0.872 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCc3nnnn3CC1)CCO2 ZINC001053442624 766139633 /nfs/dbraw/zinc/13/96/33/766139633.db2.gz MLGVWUFKOVAZOB-AWEZNQCLSA-N 1 2 346.435 0.115 20 30 ECEDLO Cn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)n(C)c1=O ZINC001016355042 766175846 /nfs/dbraw/zinc/17/58/46/766175846.db2.gz SAPDUABHIIMHHX-HNNXBMFYSA-N 1 2 339.399 0.600 20 30 ECEDLO Cn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)n(C)c1=O ZINC001016355042 766175850 /nfs/dbraw/zinc/17/58/50/766175850.db2.gz SAPDUABHIIMHHX-HNNXBMFYSA-N 1 2 339.399 0.600 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cccn3)nc2)[C@@H](O)C1 ZINC001083685947 766193450 /nfs/dbraw/zinc/19/34/50/766193450.db2.gz UPPNDDVJNUSIHZ-CABCVRRESA-N 1 2 325.372 0.066 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cccn3)nc2)[C@@H](O)C1 ZINC001083685947 766193453 /nfs/dbraw/zinc/19/34/53/766193453.db2.gz UPPNDDVJNUSIHZ-CABCVRRESA-N 1 2 325.372 0.066 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc(=O)n(CC)n1)CCO2 ZINC001053474108 766193537 /nfs/dbraw/zinc/19/35/37/766193537.db2.gz DJJOLAZBOUGGJQ-UHFFFAOYSA-N 1 2 332.404 0.366 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C(=O)N1CCC[C@@H]1CC)CCO2 ZINC001053500336 766240696 /nfs/dbraw/zinc/24/06/96/766240696.db2.gz OSNGKNKMVRLHAW-HNNXBMFYSA-N 1 2 335.448 0.877 20 30 ECEDLO N#CCN1CC2(C1)CN(C(=O)C[N@@H+]1CCc3sccc3C1)CCO2 ZINC001053540682 766305886 /nfs/dbraw/zinc/30/58/86/766305886.db2.gz AXXRQKSBWZVOJT-UHFFFAOYSA-N 1 2 346.456 0.543 20 30 ECEDLO N#CCN1CC2(C1)CN(C(=O)C[N@H+]1CCc3sccc3C1)CCO2 ZINC001053540682 766305892 /nfs/dbraw/zinc/30/58/92/766305892.db2.gz AXXRQKSBWZVOJT-UHFFFAOYSA-N 1 2 346.456 0.543 20 30 ECEDLO C[NH+](C)[C@@H](C(=O)N1CCOC2(CN(CC#N)C2)C1)c1cccnc1 ZINC001053542339 766308996 /nfs/dbraw/zinc/30/89/96/766308996.db2.gz DYECFVJDUNXPGS-OAHLLOKOSA-N 1 2 329.404 0.121 20 30 ECEDLO C=C1CCC(C(=O)NCC2(O)CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001045772941 766351362 /nfs/dbraw/zinc/35/13/62/766351362.db2.gz RVZSLNWBCSOPSM-UHFFFAOYSA-N 1 2 332.404 0.388 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001045783550 766366165 /nfs/dbraw/zinc/36/61/65/766366165.db2.gz ZIOQHZPVKRVUGL-QGZVFWFLSA-N 1 2 348.447 0.955 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnc3n1CCOC3)O2 ZINC001053614409 766436355 /nfs/dbraw/zinc/43/63/55/766436355.db2.gz WBVRKWGZGQKNIV-ZDUSSCGKSA-N 1 2 332.404 0.563 20 30 ECEDLO CO[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)C#CC1CC1 ZINC001212251387 766439612 /nfs/dbraw/zinc/43/96/12/766439612.db2.gz ZSXCSOHDGZUDPY-BRWVUGGUSA-N 1 2 345.443 0.369 20 30 ECEDLO CO[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)C#CC1CC1 ZINC001212251387 766439617 /nfs/dbraw/zinc/43/96/17/766439617.db2.gz ZSXCSOHDGZUDPY-BRWVUGGUSA-N 1 2 345.443 0.369 20 30 ECEDLO C#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCc3[nH+]c(C)[nH]c3C1)O2 ZINC001053619915 766451691 /nfs/dbraw/zinc/45/16/91/766451691.db2.gz ZMWWYMXQMNHMNX-CABCVRRESA-N 1 2 342.443 0.806 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc3nnnn3c1)O2 ZINC001053628422 766474116 /nfs/dbraw/zinc/47/41/16/766474116.db2.gz NNJRXKZETPFOAM-CYBMUJFWSA-N 1 2 328.376 0.274 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(=O)c(OC)c[nH]1)O2 ZINC001053628587 766474134 /nfs/dbraw/zinc/47/41/34/766474134.db2.gz RXXVLACVYCMRNI-LBPRGKRZSA-N 1 2 333.388 0.533 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cn(C)ccc1=O)O2 ZINC001053630962 766478420 /nfs/dbraw/zinc/47/84/20/766478420.db2.gz OCWINSOJMFSROM-AWEZNQCLSA-N 1 2 331.416 0.925 20 30 ECEDLO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCc3nn[nH]c31)O2 ZINC001053654749 766521786 /nfs/dbraw/zinc/52/17/86/766521786.db2.gz VFAYFUZUIIVZRT-KBPBESRZSA-N 1 2 343.431 0.598 20 30 ECEDLO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCc3n[nH]nc31)O2 ZINC001053654749 766521791 /nfs/dbraw/zinc/52/17/91/766521791.db2.gz VFAYFUZUIIVZRT-KBPBESRZSA-N 1 2 343.431 0.598 20 30 ECEDLO CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C2)C1=O ZINC001212256292 766567872 /nfs/dbraw/zinc/56/78/72/766567872.db2.gz WXHGEFKPXPXFIE-QLFBSQMISA-N 1 2 335.448 0.472 20 30 ECEDLO CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C2)C1=O ZINC001212256292 766567879 /nfs/dbraw/zinc/56/78/79/766567879.db2.gz WXHGEFKPXPXFIE-QLFBSQMISA-N 1 2 335.448 0.472 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCCN(C)C1=O)O2 ZINC001053685928 766584771 /nfs/dbraw/zinc/58/47/71/766584771.db2.gz BWUKYPWDJAVQAR-CABCVRRESA-N 1 2 335.448 0.781 20 30 ECEDLO Cc1nonc1C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001046013113 766641456 /nfs/dbraw/zinc/64/14/56/766641456.db2.gz SDZOSUVVGUQADY-OCCSQVGLSA-N 1 2 332.408 0.256 20 30 ECEDLO Cc1nonc1C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001046013113 766641459 /nfs/dbraw/zinc/64/14/59/766641459.db2.gz SDZOSUVVGUQADY-OCCSQVGLSA-N 1 2 332.408 0.256 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2OC)C[C@H]1OC ZINC001212262092 766674993 /nfs/dbraw/zinc/67/49/93/766674993.db2.gz AMMJELWOFLEBSW-HZPDHXFCSA-N 1 2 347.415 0.446 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2cccnc2OC)C[C@H]1OC ZINC001212262092 766674995 /nfs/dbraw/zinc/67/49/95/766674995.db2.gz AMMJELWOFLEBSW-HZPDHXFCSA-N 1 2 347.415 0.446 20 30 ECEDLO Cn1cc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)c(C2CC2)n1 ZINC001046032897 766707578 /nfs/dbraw/zinc/70/75/78/766707578.db2.gz JQQUXYCNEZYZKL-OAHLLOKOSA-N 1 2 342.447 0.653 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cnn(CCF)c3)CC2)C1 ZINC001046041563 766752277 /nfs/dbraw/zinc/75/22/77/766752277.db2.gz RWGQDDUNJJMERP-HNNXBMFYSA-N 1 2 334.399 0.208 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cccc4cn[nH]c43)CC2)C1 ZINC001046051035 766788742 /nfs/dbraw/zinc/78/87/42/766788742.db2.gz VDFGDXODTAPGDE-HNNXBMFYSA-N 1 2 338.415 0.919 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cccc4c[nH]nc43)CC2)C1 ZINC001046051035 766788746 /nfs/dbraw/zinc/78/87/46/766788746.db2.gz VDFGDXODTAPGDE-HNNXBMFYSA-N 1 2 338.415 0.919 20 30 ECEDLO CC(C)N1C(=O)CC[C@H]1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046054896 766804179 /nfs/dbraw/zinc/80/41/79/766804179.db2.gz CWDRJUYSHCYLFZ-HOTGVXAUSA-N 1 2 347.463 0.128 20 30 ECEDLO Cn1c[nH+]cc1CN1CC2(C1)C[C@@H](NC(=O)c1ccc(C#N)[nH]1)CO2 ZINC001053781259 766822628 /nfs/dbraw/zinc/82/26/28/766822628.db2.gz GSMNXGDFDSZMCA-CYBMUJFWSA-N 1 2 340.387 0.393 20 30 ECEDLO CCc1c(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)nnn1CC ZINC001046063450 766837378 /nfs/dbraw/zinc/83/73/78/766837378.db2.gz ZLOIZGYTBIMURB-CQSZACIVSA-N 1 2 345.451 0.216 20 30 ECEDLO CCCn1cc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)c(C)n1 ZINC001046073913 766887041 /nfs/dbraw/zinc/88/70/41/766887041.db2.gz OJLAYBOEBCZKGP-INIZCTEOSA-N 1 2 344.463 0.957 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cnn4cc[nH]c34)CC2)C1 ZINC001046080579 766917636 /nfs/dbraw/zinc/91/76/36/766917636.db2.gz QBBGYTHEJUXFKY-CYBMUJFWSA-N 1 2 327.392 0.018 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)C[C@H]3CCCCC(=O)N3)CC2)C1 ZINC001046081627 766919417 /nfs/dbraw/zinc/91/94/17/766919417.db2.gz NDYDSWAKVQNKPF-HZPDHXFCSA-N 1 2 347.463 0.177 20 30 ECEDLO CCOc1cccnc1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046090596 766932445 /nfs/dbraw/zinc/93/24/45/766932445.db2.gz ZGNZNUXEVKLRDF-OAHLLOKOSA-N 1 2 343.431 0.836 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3snnc3C)C2)C1=O ZINC001046132451 766965555 /nfs/dbraw/zinc/96/55/55/766965555.db2.gz GWXORRSRDMZKEW-LRDDRELGSA-N 1 2 349.460 0.828 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3snnc3C)C2)C1=O ZINC001046132451 766965561 /nfs/dbraw/zinc/96/55/61/766965561.db2.gz GWXORRSRDMZKEW-LRDDRELGSA-N 1 2 349.460 0.828 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C2CC(NC(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC001016810097 766966167 /nfs/dbraw/zinc/96/61/67/766966167.db2.gz ORWSKQMAELLNAD-UHFFFAOYSA-N 1 2 337.383 0.748 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3cnoc3C)C[C@@H]2O)c1 ZINC001083765290 766995573 /nfs/dbraw/zinc/99/55/73/766995573.db2.gz WZDIXQSOZYWLDG-CVEARBPZSA-N 1 2 326.356 0.334 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3cnoc3C)C[C@@H]2O)c1 ZINC001083765290 766995578 /nfs/dbraw/zinc/99/55/78/766995578.db2.gz WZDIXQSOZYWLDG-CVEARBPZSA-N 1 2 326.356 0.334 20 30 ECEDLO C[C@H](C#N)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cc[nH+]c1)C2 ZINC001053845260 766999646 /nfs/dbraw/zinc/99/96/46/766999646.db2.gz KSXJMDDOCQKFPY-APIJFGDWSA-N 1 2 329.404 0.929 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCn3cc(C)nc3C1)CO2 ZINC001053848320 767009535 /nfs/dbraw/zinc/00/95/35/767009535.db2.gz XTMRJDDFKMDNIP-HZPDHXFCSA-N 1 2 342.443 0.737 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn3cccnc3n1)CO2 ZINC001053855538 767035619 /nfs/dbraw/zinc/03/56/19/767035619.db2.gz PZJDIUKRAUSOEY-CYBMUJFWSA-N 1 2 327.388 0.879 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1n[nH]c3c1CCCC3)CO2 ZINC001053861243 767055129 /nfs/dbraw/zinc/05/51/29/767055129.db2.gz FEXWKTZNCPHFNR-ZDUSSCGKSA-N 1 2 328.416 0.885 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3nncn3CC1)CO2 ZINC001053874376 767103481 /nfs/dbraw/zinc/10/34/81/767103481.db2.gz WDQNVPBXBFXHDW-HUUCEWRRSA-N 1 2 343.431 0.213 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1ccn(C(C)C)n1)CO2 ZINC001053877116 767119431 /nfs/dbraw/zinc/11/94/31/767119431.db2.gz RDBHGPQUWQUDDL-MRXNPFEDSA-N 1 2 330.432 0.989 20 30 ECEDLO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001046311740 767140984 /nfs/dbraw/zinc/14/09/84/767140984.db2.gz KZGRBCNWWIXBAK-UHFFFAOYSA-N 1 2 332.404 0.388 20 30 ECEDLO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001046311740 767140985 /nfs/dbraw/zinc/14/09/85/767140985.db2.gz KZGRBCNWWIXBAK-UHFFFAOYSA-N 1 2 332.404 0.388 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1occ3c1CCOC3)CO2 ZINC001053883064 767169279 /nfs/dbraw/zinc/16/92/79/767169279.db2.gz NMXRAIDAYADTTN-AWEZNQCLSA-N 1 2 330.384 0.949 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1c(C)c(C)nn(C)c1=O)CO2 ZINC001053888180 767216569 /nfs/dbraw/zinc/21/65/69/767216569.db2.gz BLYFAHFHOAQRPA-AWEZNQCLSA-N 1 2 346.431 0.546 20 30 ECEDLO COc1ccc(C[NH+]2CC(CNC(=O)c3cn[nH]n3)C2)cc1C#N ZINC001031805567 767242972 /nfs/dbraw/zinc/24/29/72/767242972.db2.gz PDPJKBVRLKEUFZ-UHFFFAOYSA-N 1 2 326.360 0.547 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2ccnn2CC(C)C)[C@H](OC)C1 ZINC001212342851 767292376 /nfs/dbraw/zinc/29/23/76/767292376.db2.gz WCSFKZDGTFQKKV-NVXWUHKLSA-N 1 2 348.447 0.618 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2ccnn2CC(C)C)[C@H](OC)C1 ZINC001212342851 767292377 /nfs/dbraw/zinc/29/23/77/767292377.db2.gz WCSFKZDGTFQKKV-NVXWUHKLSA-N 1 2 348.447 0.618 20 30 ECEDLO C=CCn1cc(C(=O)NC2CC(N(C)C(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC001016933741 767343624 /nfs/dbraw/zinc/34/36/24/767343624.db2.gz YJZLFPGJRCNIAN-UHFFFAOYSA-N 1 2 343.391 0.149 20 30 ECEDLO C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106155036 767392981 /nfs/dbraw/zinc/39/29/81/767392981.db2.gz ONYQQHUYTKLUCD-KKZNHRDASA-N 1 2 338.305 0.211 20 30 ECEDLO C[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106155036 767392991 /nfs/dbraw/zinc/39/29/91/767392991.db2.gz ONYQQHUYTKLUCD-KKZNHRDASA-N 1 2 338.305 0.211 20 30 ECEDLO N#Cc1ccc(C(=O)NCC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)[nH]1 ZINC001060462746 767438823 /nfs/dbraw/zinc/43/88/23/767438823.db2.gz JJNXEZRMEYFIIP-GFCCVEGCSA-N 1 2 340.387 0.821 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1(N3CCOCC3)CCC1)CO2 ZINC001053970026 767491750 /nfs/dbraw/zinc/49/17/50/767491750.db2.gz DIQCILYUMBQEFX-MRXNPFEDSA-N 1 2 347.459 0.224 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@H](C[N@H+](C)Cc2nc(N(C)C)no2)C1 ZINC001017075530 767553552 /nfs/dbraw/zinc/55/35/52/767553552.db2.gz BQQCBVGQXGMERX-QWHCGFSZSA-N 1 2 334.424 0.966 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@H](C[N@@H+](C)Cc2nc(N(C)C)no2)C1 ZINC001017075530 767553559 /nfs/dbraw/zinc/55/35/59/767553559.db2.gz BQQCBVGQXGMERX-QWHCGFSZSA-N 1 2 334.424 0.966 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc(C(=O)NC)n1)CO2 ZINC001053996229 767554341 /nfs/dbraw/zinc/55/43/41/767554341.db2.gz DFDNFUCHWFGYAR-ZDUSSCGKSA-N 1 2 342.399 0.038 20 30 ECEDLO Cn1cnnc1C[N@H+](C)C[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001017094553 767576092 /nfs/dbraw/zinc/57/60/92/767576092.db2.gz SIQMEVCOOGIAQX-ZDUSSCGKSA-N 1 2 341.419 0.999 20 30 ECEDLO Cn1cnnc1C[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001017094553 767576094 /nfs/dbraw/zinc/57/60/94/767576094.db2.gz SIQMEVCOOGIAQX-ZDUSSCGKSA-N 1 2 341.419 0.999 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1nc(C3CC3)nn1C)CO2 ZINC001054015096 767603014 /nfs/dbraw/zinc/60/30/14/767603014.db2.gz YOFJGPMVIUBWGG-CQSZACIVSA-N 1 2 343.431 0.218 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cccn2nnnc12 ZINC001054041767 767640670 /nfs/dbraw/zinc/64/06/70/767640670.db2.gz SSABZUHYKLQRGU-INIZCTEOSA-N 1 2 346.394 0.914 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cccn2nnnc12 ZINC001054041767 767640675 /nfs/dbraw/zinc/64/06/75/767640675.db2.gz SSABZUHYKLQRGU-INIZCTEOSA-N 1 2 346.394 0.914 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCCNC1=O ZINC001054043116 767642129 /nfs/dbraw/zinc/64/21/29/767642129.db2.gz QFSGEIWTHPTTAR-IAGOWNOFSA-N 1 2 325.412 0.689 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCCNC1=O ZINC001054043116 767642132 /nfs/dbraw/zinc/64/21/32/767642132.db2.gz QFSGEIWTHPTTAR-IAGOWNOFSA-N 1 2 325.412 0.689 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cncc(C(N)=O)c1 ZINC001054061434 767659847 /nfs/dbraw/zinc/65/98/47/767659847.db2.gz ZXRPPSBPHITSIP-SFHVURJKSA-N 1 2 348.406 0.970 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cncc(C(N)=O)c1 ZINC001054061434 767659851 /nfs/dbraw/zinc/65/98/51/767659851.db2.gz ZXRPPSBPHITSIP-SFHVURJKSA-N 1 2 348.406 0.970 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@@]2(C)C1 ZINC000993199662 768451670 /nfs/dbraw/zinc/45/16/70/768451670.db2.gz BCMTWRXXARKRLC-PLQHRBFRSA-N 1 2 329.404 0.727 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nc(CC(=O)NC)no2)C1 ZINC001054965165 768476180 /nfs/dbraw/zinc/47/61/80/768476180.db2.gz DEMHWNZYTYJDDN-NEPJUHHUSA-N 1 2 349.435 0.507 20 30 ECEDLO C[C@@H](CCNc1ccnc(C#N)n1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001106601902 768492853 /nfs/dbraw/zinc/49/28/53/768492853.db2.gz QXHLXUXWSVHENY-RYUDHWBXSA-N 1 2 327.392 0.679 20 30 ECEDLO C[C@@H](CCNc1ccnc(C#N)n1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001106601902 768492860 /nfs/dbraw/zinc/49/28/60/768492860.db2.gz QXHLXUXWSVHENY-RYUDHWBXSA-N 1 2 327.392 0.679 20 30 ECEDLO N#Cc1nccnc1N[C@@H]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001060535311 768567830 /nfs/dbraw/zinc/56/78/30/768567830.db2.gz MJJVJWQVJKPMJL-MELADBBJSA-N 1 2 337.387 0.894 20 30 ECEDLO N#Cc1nccc(N[C@@H]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]23)n1 ZINC001060536028 768580026 /nfs/dbraw/zinc/58/00/26/768580026.db2.gz YSYCCROQKWMNHW-MGPQQGTHSA-N 1 2 337.387 0.316 20 30 ECEDLO C[C@H]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001018069601 768684023 /nfs/dbraw/zinc/68/40/23/768684023.db2.gz LEMSSFAMAFOSQF-AAEUAGOBSA-N 1 2 340.387 0.961 20 30 ECEDLO C=C(Cl)CNCc1cn([C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001098790251 768763237 /nfs/dbraw/zinc/76/32/37/768763237.db2.gz QDUOLBXTIOXMIJ-AWEZNQCLSA-N 1 2 349.826 0.790 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC001055313210 768768500 /nfs/dbraw/zinc/76/85/00/768768500.db2.gz GRUARTXFOJZINO-IYOUNJFTSA-N 1 2 346.431 0.207 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001055313998 768770940 /nfs/dbraw/zinc/77/09/40/768770940.db2.gz LVMRDAIYQMGRFJ-DAYGRLMNSA-N 1 2 346.431 0.517 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn([C@H]2CCOC2)nn1 ZINC001018153814 768808763 /nfs/dbraw/zinc/80/87/63/768808763.db2.gz YQFIDOASCXJBOL-ZNMIVQPWSA-N 1 2 329.404 0.552 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn([C@H]2CCOC2)nn1 ZINC001018153814 768808768 /nfs/dbraw/zinc/80/87/68/768808768.db2.gz YQFIDOASCXJBOL-ZNMIVQPWSA-N 1 2 329.404 0.552 20 30 ECEDLO Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2)C3)n1 ZINC001055353846 768810663 /nfs/dbraw/zinc/81/06/63/768810663.db2.gz ASPKIZFYBIFFCF-KFWWJZLASA-N 1 2 337.387 0.779 20 30 ECEDLO C=CCCC(=O)NCC[NH+]1CCC(NC(=O)C2=NC(=O)N(C)C2)CC1 ZINC001055538458 769049924 /nfs/dbraw/zinc/04/99/24/769049924.db2.gz GBCCXRJXDFBIDX-UHFFFAOYSA-N 1 2 349.435 0.402 20 30 ECEDLO N#Cc1cncc(N2C[C@@H]3CCC[C@]3(NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001055550739 769093829 /nfs/dbraw/zinc/09/38/29/769093829.db2.gz WZVDIHVBCVOVSO-SJCJKPOMSA-N 1 2 337.387 0.789 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@@H](CC)OC)C2)CC1 ZINC001018357879 769182652 /nfs/dbraw/zinc/18/26/52/769182652.db2.gz JCABOWWJBNJLHF-JKSUJKDBSA-N 1 2 337.464 0.980 20 30 ECEDLO N#Cc1cncc(N2C[C@@H]3CCC[C@]3(NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001055584240 769182795 /nfs/dbraw/zinc/18/27/95/769182795.db2.gz MSBOCSKJVILDLA-SJCJKPOMSA-N 1 2 337.387 0.789 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)C#CC3CC3)C2)CC1 ZINC001018364878 769207339 /nfs/dbraw/zinc/20/73/39/769207339.db2.gz WYAKNDQXYIIEBO-KRWDZBQOSA-N 1 2 329.444 0.969 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)C3CC(OC)C3)C2)CC1 ZINC001018366651 769214481 /nfs/dbraw/zinc/21/44/81/769214481.db2.gz CNXFFIKHHIPWIS-GTPINHCMSA-N 1 2 349.475 0.980 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NC1CC[NH+](CCNC(=O)c2cn[nH]n2)CC1 ZINC001055597105 769216873 /nfs/dbraw/zinc/21/68/73/769216873.db2.gz MJFJAXYXGTWVKN-ZDUSSCGKSA-N 1 2 348.451 0.717 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NC1CC[NH+](CCNC(=O)c2cnn[nH]2)CC1 ZINC001055597105 769216888 /nfs/dbraw/zinc/21/68/88/769216888.db2.gz MJFJAXYXGTWVKN-ZDUSSCGKSA-N 1 2 348.451 0.717 20 30 ECEDLO CC#CCCCC(=O)NC1CC[NH+](CCNC(=O)c2cn[nH]n2)CC1 ZINC001055597026 769217876 /nfs/dbraw/zinc/21/78/76/769217876.db2.gz KGKOWUQGMFKKET-UHFFFAOYSA-N 1 2 346.435 0.309 20 30 ECEDLO CC#CCCCC(=O)NC1CC[NH+](CCNC(=O)c2cnn[nH]2)CC1 ZINC001055597026 769217881 /nfs/dbraw/zinc/21/78/81/769217881.db2.gz KGKOWUQGMFKKET-UHFFFAOYSA-N 1 2 346.435 0.309 20 30 ECEDLO C=CCCC(=O)NC1CC[NH+](CCNC(=O)CCc2cnn[nH]2)CC1 ZINC001055645687 769337949 /nfs/dbraw/zinc/33/79/49/769337949.db2.gz GOQXTRXWYDRYAD-UHFFFAOYSA-N 1 2 348.451 0.400 20 30 ECEDLO C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001018440437 769351082 /nfs/dbraw/zinc/35/10/82/769351082.db2.gz LZXPFQVPYONNKO-DGCLKSJQSA-N 1 2 340.387 0.961 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+](CC(=O)NC3CC3)[C@H]2C)c1 ZINC000993770999 769592355 /nfs/dbraw/zinc/59/23/55/769592355.db2.gz KILLMZLXUKKDBM-GUYCJALGSA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NC3CC3)[C@H]2C)c1 ZINC000993770999 769592367 /nfs/dbraw/zinc/59/23/67/769592367.db2.gz KILLMZLXUKKDBM-GUYCJALGSA-N 1 2 340.427 0.924 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(NC(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000993829499 769697376 /nfs/dbraw/zinc/69/73/76/769697376.db2.gz JZKLMGNBRTUDEB-NSHDSACASA-N 1 2 332.429 0.593 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(NC(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000993829499 769697385 /nfs/dbraw/zinc/69/73/85/769697385.db2.gz JZKLMGNBRTUDEB-NSHDSACASA-N 1 2 332.429 0.593 20 30 ECEDLO N#Cc1cncc(N2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)n1 ZINC001055942721 770305147 /nfs/dbraw/zinc/30/51/47/770305147.db2.gz YDHWPNVWDGVDTM-ZDUSSCGKSA-N 1 2 337.387 0.456 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC#N)C1 ZINC001099285019 770352182 /nfs/dbraw/zinc/35/21/82/770352182.db2.gz RMYAVEPNDJLARL-GHMZBOCLSA-N 1 2 329.326 0.855 20 30 ECEDLO C=CCCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001055994818 770487464 /nfs/dbraw/zinc/48/74/64/770487464.db2.gz HYIDNXCAXZMZKZ-LBTNJELSSA-N 1 2 346.431 0.949 20 30 ECEDLO C=CCCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001055994818 770487468 /nfs/dbraw/zinc/48/74/68/770487468.db2.gz HYIDNXCAXZMZKZ-LBTNJELSSA-N 1 2 346.431 0.949 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001055997972 770500357 /nfs/dbraw/zinc/50/03/57/770500357.db2.gz KTFBJOYFBRZWKD-YJBOKZPZSA-N 1 2 348.447 0.955 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001055998334 770501832 /nfs/dbraw/zinc/50/18/32/770501832.db2.gz PVTBLDQPTLYKMB-ROUUACIJSA-N 1 2 348.447 0.955 20 30 ECEDLO CCN(CCNc1ccnc(C#N)n1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001106876465 770509636 /nfs/dbraw/zinc/50/96/36/770509636.db2.gz OYAWTGJXEWCTBK-ZDUSSCGKSA-N 1 2 339.403 0.490 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@@H]2O)CC1 ZINC001083751506 770685656 /nfs/dbraw/zinc/68/56/56/770685656.db2.gz ZEMKCJMXDLOLLK-ZACQAIPSSA-N 1 2 349.475 0.903 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@@H]2O)CC1 ZINC001083751506 770685659 /nfs/dbraw/zinc/68/56/59/770685659.db2.gz ZEMKCJMXDLOLLK-ZACQAIPSSA-N 1 2 349.475 0.903 20 30 ECEDLO C=CCCCC(=O)N[C@]1(CO)CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001056084908 770794801 /nfs/dbraw/zinc/79/48/01/770794801.db2.gz BDWWBARIWBOTGC-GOSISDBHSA-N 1 2 348.447 0.789 20 30 ECEDLO N#Cc1cccnc1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001056326499 771128881 /nfs/dbraw/zinc/12/88/81/771128881.db2.gz DHRSDXJHTZYHMU-VZEFYGNVSA-N 1 2 348.410 0.963 20 30 ECEDLO N#Cc1cccnc1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001056330594 771136831 /nfs/dbraw/zinc/13/68/31/771136831.db2.gz UEQCFZUXUGJMAU-AIANPOQGSA-N 1 2 348.410 0.963 20 30 ECEDLO N#Cc1cccnc1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001056333432 771139673 /nfs/dbraw/zinc/13/96/73/771139673.db2.gz KWURTYUEPFGZDB-SIXLDLHFSA-N 1 2 348.410 0.963 20 30 ECEDLO C#CCCCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001056372540 771192797 /nfs/dbraw/zinc/19/27/97/771192797.db2.gz AOSUMYLAICRZCI-BRWVUGGUSA-N 1 2 347.459 0.712 20 30 ECEDLO C#CCCCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001056372540 771192800 /nfs/dbraw/zinc/19/28/00/771192800.db2.gz AOSUMYLAICRZCI-BRWVUGGUSA-N 1 2 347.459 0.712 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001019366397 771210931 /nfs/dbraw/zinc/21/09/31/771210931.db2.gz CDBNJYYOJBLYKC-MGPQQGTHSA-N 1 2 341.415 0.744 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@H]1CCc3[nH+]ccn3C1)C2 ZINC001019367275 771212070 /nfs/dbraw/zinc/21/20/70/771212070.db2.gz UTLPKSLWDLYAGX-KBPBESRZSA-N 1 2 341.415 0.666 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC001056405567 771233651 /nfs/dbraw/zinc/23/36/51/771233651.db2.gz NRGSSNHZGDMIRV-HOTGVXAUSA-N 1 2 344.415 0.515 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001056456210 771287224 /nfs/dbraw/zinc/28/72/24/771287224.db2.gz NNNKHINZDYGJRM-OAGGEKHMSA-N 1 2 344.415 0.513 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]([NH2+][C@H](C)c3nnc(C)o3)C2)nn1 ZINC001019482329 771345994 /nfs/dbraw/zinc/34/59/94/771345994.db2.gz PGEUCIHJZSMTPK-PWSUYJOCSA-N 1 2 331.380 0.721 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC001019498875 771366193 /nfs/dbraw/zinc/36/61/93/771366193.db2.gz XNBJOHZXPZDXKU-YDHLFZDLSA-N 1 2 349.435 0.807 20 30 ECEDLO N#Cc1nccc(NC2CC3(CC(NC(=O)Cc4c[nH]c[nH+]4)C3)C2)n1 ZINC001056541858 771366466 /nfs/dbraw/zinc/36/64/66/771366466.db2.gz IEIZXANBEFVOHJ-UHFFFAOYSA-N 1 2 337.387 0.575 20 30 ECEDLO CCn1nnc(C)c1C[NH+]1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001031603148 771388037 /nfs/dbraw/zinc/38/80/37/771388037.db2.gz JKSZTZWXGVBNTA-UHFFFAOYSA-N 1 2 327.392 0.668 20 30 ECEDLO N#CCSCC(=O)N1CCC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001056605855 771423479 /nfs/dbraw/zinc/42/34/79/771423479.db2.gz DBKOMNICOVLDFZ-QWHCGFSZSA-N 1 2 347.444 0.658 20 30 ECEDLO N#Cc1ccc(C(=O)NCC2C[NH+](CC(=O)NC3CCCCC3)C2)[nH]1 ZINC001031619476 771469979 /nfs/dbraw/zinc/46/99/79/771469979.db2.gz YVJCIUDYFCNLRP-UHFFFAOYSA-N 1 2 343.431 0.997 20 30 ECEDLO CN1CCOC[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031621921 771484826 /nfs/dbraw/zinc/48/48/26/771484826.db2.gz RACFKOMCCBSGJF-SFHVURJKSA-N 1 2 345.418 0.556 20 30 ECEDLO CO[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212246640 771585379 /nfs/dbraw/zinc/58/53/79/771585379.db2.gz XRQMWMJHDPEVTC-IAGOWNOFSA-N 1 2 341.411 0.514 20 30 ECEDLO CO[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212246640 771585385 /nfs/dbraw/zinc/58/53/85/771585385.db2.gz XRQMWMJHDPEVTC-IAGOWNOFSA-N 1 2 341.411 0.514 20 30 ECEDLO N#Cc1ccc(F)c(C[NH2+][C@H]2CCN(C(=O)Cc3ncn[nH]3)C2)c1 ZINC001019629049 771629772 /nfs/dbraw/zinc/62/97/72/771629772.db2.gz DWHAMQXCYWTDCZ-ZDUSSCGKSA-N 1 2 328.351 0.749 20 30 ECEDLO CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001056906163 771791025 /nfs/dbraw/zinc/79/10/25/771791025.db2.gz BCXSTIUNXSNWSA-CYBMUJFWSA-N 1 2 325.376 0.741 20 30 ECEDLO CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001056941627 771839005 /nfs/dbraw/zinc/83/90/05/771839005.db2.gz DTCYBFMHAFZDGD-ZDUSSCGKSA-N 1 2 325.376 0.362 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](N(C)c2nccnc2C#N)C1 ZINC001056949829 771853541 /nfs/dbraw/zinc/85/35/41/771853541.db2.gz WOBCYPOGKFBQGD-GFCCVEGCSA-N 1 2 325.376 0.660 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](N(C)c2cncc(C#N)n2)C1 ZINC001057046846 771992857 /nfs/dbraw/zinc/99/28/57/771992857.db2.gz HRJRPZZNHVEEHK-SWLSCSKDSA-N 1 2 339.403 0.987 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](N(C)c2cncc(C#N)n2)C1 ZINC001057046846 771992859 /nfs/dbraw/zinc/99/28/59/771992859.db2.gz HRJRPZZNHVEEHK-SWLSCSKDSA-N 1 2 339.403 0.987 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCCN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C1 ZINC001019907811 772007678 /nfs/dbraw/zinc/00/76/78/772007678.db2.gz IIXQITBVJXHMCW-UONOGXRCSA-N 1 2 346.431 0.993 20 30 ECEDLO CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001057064554 772024379 /nfs/dbraw/zinc/02/43/79/772024379.db2.gz QAGYUGVSYATCJW-MGPQQGTHSA-N 1 2 337.387 0.912 20 30 ECEDLO CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001057064554 772024384 /nfs/dbraw/zinc/02/43/84/772024384.db2.gz QAGYUGVSYATCJW-MGPQQGTHSA-N 1 2 337.387 0.912 20 30 ECEDLO N#Cc1cnc(N2CCCN(C(=O)CCc3[nH]cc[nH+]3)CC2)cn1 ZINC001057133795 772139673 /nfs/dbraw/zinc/13/96/73/772139673.db2.gz WSOAJSPWTZZKKU-UHFFFAOYSA-N 1 2 325.376 0.743 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCCN(c2ccnc(C#N)n2)CC1 ZINC001057162818 772197258 /nfs/dbraw/zinc/19/72/58/772197258.db2.gz RPMSKJSTRAIPBM-UHFFFAOYSA-N 1 2 325.376 0.661 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCN1C(=O)C#CC1CC1 ZINC001020250532 772350416 /nfs/dbraw/zinc/35/04/16/772350416.db2.gz OFSRGRDXNDDWHE-IMJJTQAJSA-N 1 2 340.427 0.965 20 30 ECEDLO C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001057598874 772795040 /nfs/dbraw/zinc/79/50/40/772795040.db2.gz JQGOGBPAZQKJFI-UHFFFAOYSA-N 1 2 336.436 0.800 20 30 ECEDLO C=CCC(CC=C)C(=O)N(CCO)CCNC(=O)Cc1c[nH+]cn1C ZINC001057681597 772907722 /nfs/dbraw/zinc/90/77/22/772907722.db2.gz OTFLTEJGATVPPG-UHFFFAOYSA-N 1 2 348.447 0.668 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1 ZINC001057692538 772917055 /nfs/dbraw/zinc/91/70/55/772917055.db2.gz JQDARKUSNGZHCZ-UHFFFAOYSA-N 1 2 342.827 0.599 20 30 ECEDLO N#Cc1nccc(N[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC001057773125 772974353 /nfs/dbraw/zinc/97/43/53/772974353.db2.gz CGGHGHWUXTWGPT-YNEHKIRRSA-N 1 2 337.387 0.700 20 30 ECEDLO N#Cc1nccc(N[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)n1 ZINC001057773125 772974355 /nfs/dbraw/zinc/97/43/55/772974355.db2.gz CGGHGHWUXTWGPT-YNEHKIRRSA-N 1 2 337.387 0.700 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NC1CCN(c2ccc(C#N)nn2)CC1 ZINC001057885054 773130389 /nfs/dbraw/zinc/13/03/89/773130389.db2.gz AIXZMAKSMZGSBC-UHFFFAOYSA-N 1 2 325.376 0.409 20 30 ECEDLO C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001057946652 773249051 /nfs/dbraw/zinc/24/90/51/773249051.db2.gz HVPGPKRCJMNALK-OAHLLOKOSA-N 1 2 348.447 0.739 20 30 ECEDLO C#CCCCC(=O)NCCN(CCO)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001058034927 773396506 /nfs/dbraw/zinc/39/65/06/773396506.db2.gz LXNHIISETMYETA-UHFFFAOYSA-N 1 2 342.399 0.917 20 30 ECEDLO CN(C(=O)Cn1cc[nH+]c1)C1CCN(c2nccnc2C#N)CC1 ZINC001058058339 773448910 /nfs/dbraw/zinc/44/89/10/773448910.db2.gz DUQAMFRWEFPDMH-UHFFFAOYSA-N 1 2 325.376 0.672 20 30 ECEDLO C=CCOCC(=O)NCCN(CCO)C(=O)c1cccc2[nH+]ccn21 ZINC001058081434 773495579 /nfs/dbraw/zinc/49/55/79/773495579.db2.gz IGUUPFITNWXQFN-UHFFFAOYSA-N 1 2 346.387 0.088 20 30 ECEDLO O=C(C#CC1CC1)NCCN(CCO)C(=O)c1cccc2[nH+]ccn21 ZINC001058081787 773497367 /nfs/dbraw/zinc/49/73/67/773497367.db2.gz WYZAJYSGNDWVJZ-UHFFFAOYSA-N 1 2 340.383 0.298 20 30 ECEDLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CCN(c2nccnc2C#N)CC1 ZINC001058089378 773515090 /nfs/dbraw/zinc/51/50/90/773515090.db2.gz AEPUUQZTQMGMEV-UHFFFAOYSA-N 1 2 325.376 0.741 20 30 ECEDLO C=C[C@H](CC)CC(=O)NCCN(CCO)C(=O)Cc1c[nH+]cn1C ZINC001058159647 773664205 /nfs/dbraw/zinc/66/42/05/773664205.db2.gz RHYOOESKKRMSOR-CQSZACIVSA-N 1 2 336.436 0.502 20 30 ECEDLO N#Cc1nccc(N2CCC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC001058265654 773879469 /nfs/dbraw/zinc/87/94/69/773879469.db2.gz OMQWBEABJGRQED-JHJVBQTASA-N 1 2 337.387 0.960 20 30 ECEDLO N#Cc1nccc(N2CCC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)n1 ZINC001058265654 773879474 /nfs/dbraw/zinc/87/94/74/773879474.db2.gz OMQWBEABJGRQED-JHJVBQTASA-N 1 2 337.387 0.960 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001040631139 783137432 /nfs/dbraw/zinc/13/74/32/783137432.db2.gz ZDFNORFMRAUCRB-GUYCJALGSA-N 1 2 334.420 0.634 20 30 ECEDLO C=CC(C)(C)CC(=O)NC[C@@]1(O)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001039818558 783146702 /nfs/dbraw/zinc/14/67/02/783146702.db2.gz GTQROPUEFNIWIQ-SFHVURJKSA-N 1 2 348.447 0.955 20 30 ECEDLO CC#CCCCC(=O)N(CCO)CCNC(=O)CCc1c[nH+]cn1C ZINC001058442871 774190280 /nfs/dbraw/zinc/19/02/80/774190280.db2.gz VBJMFCVBKADMRL-UHFFFAOYSA-N 1 2 348.447 0.483 20 30 ECEDLO N#Cc1nccc(N2CC[C@H](NC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)n1 ZINC001058475094 774257535 /nfs/dbraw/zinc/25/75/35/774257535.db2.gz ZQTUFMCITDKUMW-STQMWFEESA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)nn1 ZINC001058480860 774270726 /nfs/dbraw/zinc/27/07/26/774270726.db2.gz CPQSCPDRBRFLKL-OCCSQVGLSA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1nccc(N2CC[C@@H](NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)n1 ZINC001058541771 774394403 /nfs/dbraw/zinc/39/44/03/774394403.db2.gz TXLLDDKPRFFJAL-NEPJUHHUSA-N 1 2 337.387 0.886 20 30 ECEDLO N#Cc1cnc(N2CC[C@@H](NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)cn1 ZINC001058542026 774395555 /nfs/dbraw/zinc/39/55/55/774395555.db2.gz YXNRHDPYLRVXTJ-YPMHNXCESA-N 1 2 337.387 0.886 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001044980379 774795126 /nfs/dbraw/zinc/79/51/26/774795126.db2.gz MIYRZLSVPPPCKP-KGLIPLIRSA-N 1 2 348.447 0.500 20 30 ECEDLO CC#CCCCC(=O)NCC1(O)CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001044994305 774810276 /nfs/dbraw/zinc/81/02/76/774810276.db2.gz ORTXHFUJBQCKBB-UHFFFAOYSA-N 1 2 346.431 0.236 20 30 ECEDLO CC#CCCCC(=O)NCC1(O)CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001044994422 774810944 /nfs/dbraw/zinc/81/09/44/774810944.db2.gz SKMLJBDIZAHCRR-UHFFFAOYSA-N 1 2 332.404 0.144 20 30 ECEDLO CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001045002663 774821015 /nfs/dbraw/zinc/82/10/15/774821015.db2.gz DJKGWBKCAKYYBS-CQSZACIVSA-N 1 2 346.431 0.471 20 30 ECEDLO CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001045002663 774821023 /nfs/dbraw/zinc/82/10/23/774821023.db2.gz DJKGWBKCAKYYBS-CQSZACIVSA-N 1 2 346.431 0.471 20 30 ECEDLO CC#CCCCC(=O)NCC1(O)CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001045007250 774830125 /nfs/dbraw/zinc/83/01/25/774830125.db2.gz RPHOHMFJOOOUAE-UHFFFAOYSA-N 1 2 346.431 0.546 20 30 ECEDLO COCCc1noc(C[NH2+]C[C@@H]2CCCN2C(=O)C#CC2CC2)n1 ZINC001045030784 774866048 /nfs/dbraw/zinc/86/60/48/774866048.db2.gz VNQVTQVFZFZVAP-AWEZNQCLSA-N 1 2 332.404 0.753 20 30 ECEDLO C=CCn1cccc1C(=O)N1CCC[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001045070792 774931078 /nfs/dbraw/zinc/93/10/78/774931078.db2.gz WCNHCRJRTWMSQE-ZDUSSCGKSA-N 1 2 329.408 0.592 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(F)c(F)c(F)c2)[C@@H](n2ccnn2)C1 ZINC001070031349 790392623 /nfs/dbraw/zinc/39/26/23/790392623.db2.gz SQUIBHFETPRVOR-KGLIPLIRSA-N 1 2 349.316 0.984 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(F)c(F)c(F)c2)[C@@H](n2ccnn2)C1 ZINC001070031349 790392635 /nfs/dbraw/zinc/39/26/35/790392635.db2.gz SQUIBHFETPRVOR-KGLIPLIRSA-N 1 2 349.316 0.984 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001044323520 776154397 /nfs/dbraw/zinc/15/43/97/776154397.db2.gz NZYGJDGNBYIMDI-CYBMUJFWSA-N 1 2 334.420 0.552 20 30 ECEDLO CC#CCCCC(=O)N1CC(O)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001044323813 776156091 /nfs/dbraw/zinc/15/60/91/776156091.db2.gz VIXBQBLMJFHOLD-UHFFFAOYSA-N 1 2 332.404 0.144 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCO[C@H]2C(=C)C)[C@@H](n2ccnn2)C1 ZINC001070048130 790445625 /nfs/dbraw/zinc/44/56/25/790445625.db2.gz ZWGLWKWXCSJDKW-YVSFHVDLSA-N 1 2 343.431 0.624 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCO[C@H]2C(=C)C)[C@@H](n2ccnn2)C1 ZINC001070048130 790445630 /nfs/dbraw/zinc/44/56/30/790445630.db2.gz ZWGLWKWXCSJDKW-YVSFHVDLSA-N 1 2 343.431 0.624 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001079796850 776885934 /nfs/dbraw/zinc/88/59/34/776885934.db2.gz QKEQGYCIAATMOW-KWCYVHTRSA-N 1 2 343.855 0.670 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001079796850 776885938 /nfs/dbraw/zinc/88/59/38/776885938.db2.gz QKEQGYCIAATMOW-KWCYVHTRSA-N 1 2 343.855 0.670 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C)cc2=O)[C@@H](n2ccnn2)C1 ZINC001070069250 790500380 /nfs/dbraw/zinc/50/03/80/790500380.db2.gz UAVZRLOWQRNILS-CABCVRRESA-N 1 2 342.403 0.506 20 30 ECEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C)cc2=O)[C@@H](n2ccnn2)C1 ZINC001070069250 790500383 /nfs/dbraw/zinc/50/03/83/790500383.db2.gz UAVZRLOWQRNILS-CABCVRRESA-N 1 2 342.403 0.506 20 30 ECEDLO C=CCCOCC(=O)N(CC)C1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001079979866 777185689 /nfs/dbraw/zinc/18/56/89/777185689.db2.gz POYXRFKSYILTBE-UHFFFAOYSA-N 1 2 334.420 0.994 20 30 ECEDLO C=CCCOCC(=O)N(CC)C1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001079979866 777185693 /nfs/dbraw/zinc/18/56/93/777185693.db2.gz POYXRFKSYILTBE-UHFFFAOYSA-N 1 2 334.420 0.994 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001079981329 777187933 /nfs/dbraw/zinc/18/79/33/777187933.db2.gz OFTKMNVXUAZTFL-ZDUSSCGKSA-N 1 2 334.420 0.613 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)Cn2cc[nH+]c2)C1 ZINC001080031908 777269735 /nfs/dbraw/zinc/26/97/35/777269735.db2.gz KMXKURLNHHXJIS-AWEZNQCLSA-N 1 2 334.420 0.924 20 30 ECEDLO CCN(C(=O)C(C)(C)[NH+]1CCOCC1)C1CN(C(=O)C#CC(C)C)C1 ZINC001080097774 777386727 /nfs/dbraw/zinc/38/67/27/777386727.db2.gz QBIHAUILPPAEMO-UHFFFAOYSA-N 1 2 349.475 0.816 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cccnc2OCC)[C@@H](n2ccnn2)C1 ZINC001070086835 790557471 /nfs/dbraw/zinc/55/74/71/790557471.db2.gz PJKHEQYKJAVFDF-CABCVRRESA-N 1 2 342.403 0.913 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cccnc2OCC)[C@@H](n2ccnn2)C1 ZINC001070086835 790557478 /nfs/dbraw/zinc/55/74/78/790557478.db2.gz PJKHEQYKJAVFDF-CABCVRRESA-N 1 2 342.403 0.913 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2cccc(OC)c2)[C@@H](n2ccnn2)C1 ZINC001070088824 790564621 /nfs/dbraw/zinc/56/46/21/790564621.db2.gz HIJLWWJMDXSEOL-SJORKVTESA-N 1 2 339.399 0.504 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2cccc(OC)c2)[C@@H](n2ccnn2)C1 ZINC001070088824 790564629 /nfs/dbraw/zinc/56/46/29/790564629.db2.gz HIJLWWJMDXSEOL-SJORKVTESA-N 1 2 339.399 0.504 20 30 ECEDLO C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001043187901 777913677 /nfs/dbraw/zinc/91/36/77/777913677.db2.gz XZLOEAIWNQDWFX-UHFFFAOYSA-N 1 2 346.431 0.800 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H](Nc2ccc(C#N)nn2)C1 ZINC001043272422 778079311 /nfs/dbraw/zinc/07/93/11/778079311.db2.gz AEJWIMMODOOJCF-QMTHXVAHSA-N 1 2 325.376 0.881 20 30 ECEDLO O=C(C#CC1CC1)NC[C@H]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)O1 ZINC001068570966 790599735 /nfs/dbraw/zinc/59/97/35/790599735.db2.gz GSUVWLUPNRBPSH-OAHLLOKOSA-N 1 2 342.399 0.173 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)cs2)[C@@H](n2ccnn2)C1 ZINC001070103799 790619215 /nfs/dbraw/zinc/61/92/15/790619215.db2.gz JUHIQTXWUSZIEA-NEPJUHHUSA-N 1 2 346.416 0.280 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)cs2)[C@@H](n2ccnn2)C1 ZINC001070103799 790619222 /nfs/dbraw/zinc/61/92/22/790619222.db2.gz JUHIQTXWUSZIEA-NEPJUHHUSA-N 1 2 346.416 0.280 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001043524951 778465890 /nfs/dbraw/zinc/46/58/90/778465890.db2.gz MIWQTDRWAPWZFJ-ZDUSSCGKSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001043524951 778465894 /nfs/dbraw/zinc/46/58/94/778465894.db2.gz MIWQTDRWAPWZFJ-ZDUSSCGKSA-N 1 2 334.420 0.634 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070108228 790628860 /nfs/dbraw/zinc/62/88/60/790628860.db2.gz QMZAZWDFVGDNIB-CABCVRRESA-N 1 2 339.403 0.178 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070108228 790628866 /nfs/dbraw/zinc/62/88/66/790628866.db2.gz QMZAZWDFVGDNIB-CABCVRRESA-N 1 2 339.403 0.178 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001043620319 778606335 /nfs/dbraw/zinc/60/63/35/778606335.db2.gz ANVHEZRDQCTUCV-ZDUSSCGKSA-N 1 2 346.431 0.347 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CC[C@H](C)CC)C1 ZINC001043646336 778659363 /nfs/dbraw/zinc/65/93/63/778659363.db2.gz CFQJZFCITFAGMO-CVEARBPZSA-N 1 2 349.475 0.600 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CC[C@H](C)CC)C1 ZINC001043646336 778659365 /nfs/dbraw/zinc/65/93/65/778659365.db2.gz CFQJZFCITFAGMO-CVEARBPZSA-N 1 2 349.475 0.600 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@](C)(C=C)CC)C1 ZINC001043648486 778663722 /nfs/dbraw/zinc/66/37/22/778663722.db2.gz GASYRFGFVSTOQY-MAUKXSAKSA-N 1 2 347.459 0.376 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@](C)(C=C)CC)C1 ZINC001043648486 778663725 /nfs/dbraw/zinc/66/37/25/778663725.db2.gz GASYRFGFVSTOQY-MAUKXSAKSA-N 1 2 347.459 0.376 20 30 ECEDLO O=C(C#CC1CC1)NC1(CNC(=O)Cn2cc[nH+]c2)CCOCC1 ZINC001070111809 790642487 /nfs/dbraw/zinc/64/24/87/790642487.db2.gz AZPSGXWWTQUMCE-UHFFFAOYSA-N 1 2 330.388 0.078 20 30 ECEDLO O=C(C#CC1CC1)NC1(CNC(=O)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001070112035 790643080 /nfs/dbraw/zinc/64/30/80/790643080.db2.gz KHWGIDDCWFVKFX-UHFFFAOYSA-N 1 2 330.388 0.147 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001043696621 778738189 /nfs/dbraw/zinc/73/81/89/778738189.db2.gz CNYITDIKTRLTID-UHFFFAOYSA-N 1 2 348.447 0.955 20 30 ECEDLO N#Cc1ccc(N2C[C@H]3OCCN(C(=O)Cc4c[nH+]c[nH]4)[C@H]3C2)nc1 ZINC001043806309 778894358 /nfs/dbraw/zinc/89/43/58/778894358.db2.gz XSAYBCOEHIEPMG-LSDHHAIUSA-N 1 2 338.371 0.335 20 30 ECEDLO C=CCOCC(=O)N1CC2(C1)CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)O2 ZINC001068613219 790710144 /nfs/dbraw/zinc/71/01/44/790710144.db2.gz SMHKIIZPNHRTTK-CYBMUJFWSA-N 1 2 348.403 0.031 20 30 ECEDLO C#CCCCC(=O)NCC1(NC(=O)CCc2c[nH]c[nH+]2)CCOCC1 ZINC001070147755 790754500 /nfs/dbraw/zinc/75/45/00/790754500.db2.gz VYCWIMHBQJMICS-UHFFFAOYSA-N 1 2 346.431 0.927 20 30 ECEDLO C#CCCCC(=O)NCC1(NC(=O)CCc2c[nH+]c[nH]2)CCOCC1 ZINC001070147755 790754507 /nfs/dbraw/zinc/75/45/07/790754507.db2.gz VYCWIMHBQJMICS-UHFFFAOYSA-N 1 2 346.431 0.927 20 30 ECEDLO Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2n2ccnn2)nn1C ZINC001070159468 790787503 /nfs/dbraw/zinc/78/75/03/790787503.db2.gz DNCLISYCMCXYKJ-DFBGVHRSSA-N 1 2 342.407 0.021 20 30 ECEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cccnn2)C1 ZINC001079146420 780813624 /nfs/dbraw/zinc/81/36/24/780813624.db2.gz LLXFAQOBLXUMGN-QZTJIDSGSA-N 1 2 336.395 0.797 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cccnn2)C1 ZINC001079146420 780813637 /nfs/dbraw/zinc/81/36/37/780813637.db2.gz LLXFAQOBLXUMGN-QZTJIDSGSA-N 1 2 336.395 0.797 20 30 ECEDLO CCN(C(=O)CSCC#N)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001079341932 781005048 /nfs/dbraw/zinc/00/50/48/781005048.db2.gz SUOWYGDWWAFPQE-UHFFFAOYSA-N 1 2 335.433 0.658 20 30 ECEDLO Cc1cc(C)c(C(=O)N2CC(O)(CNC(=O)C#CC(C)C)C2)c(C)[nH+]1 ZINC001042937340 781066271 /nfs/dbraw/zinc/06/62/71/781066271.db2.gz CYMHXVBIJODXSJ-UHFFFAOYSA-N 1 2 343.427 0.969 20 30 ECEDLO CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001042965832 781111608 /nfs/dbraw/zinc/11/16/08/781111608.db2.gz KEITZVPZVSFTNX-UHFFFAOYSA-N 1 2 346.431 0.426 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cc(C)ncn2)C[C@H]1OC ZINC001043017185 781187440 /nfs/dbraw/zinc/18/74/40/781187440.db2.gz BSTQSTPWXYWQRF-OWCLPIDISA-N 1 2 343.431 0.202 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cc(C)ncn2)C[C@H]1OC ZINC001043017185 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C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cccc3nn[nH]c31)C[C@@H](C)O2 ZINC001071169222 784647965 /nfs/dbraw/zinc/64/79/65/784647965.db2.gz NSHIBYVZOKOVAR-ACJLOTCBSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cccc3nn[nH]c31)C[C@@H](C)O2 ZINC001071169222 784647969 /nfs/dbraw/zinc/64/79/69/784647969.db2.gz NSHIBYVZOKOVAR-ACJLOTCBSA-N 1 2 339.399 0.897 20 30 ECEDLO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1=NC(=O)N(C)C1)C[C@@H](C)O2 ZINC001071209313 784741083 /nfs/dbraw/zinc/74/10/83/784741083.db2.gz IAFYDVLVUJSTPU-DYVFJYSZSA-N 1 2 332.404 0.454 20 30 ECEDLO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)C1=NC(=O)N(C)C1)C[C@@H](C)O2 ZINC001071209313 784741089 /nfs/dbraw/zinc/74/10/89/784741089.db2.gz IAFYDVLVUJSTPU-DYVFJYSZSA-N 1 2 332.404 0.454 20 30 ECEDLO C=CCCOCC(=O)N1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001070901260 784808960 /nfs/dbraw/zinc/80/89/60/784808960.db2.gz QLHYETSJGFWOEU-CQSZACIVSA-N 1 2 334.420 0.663 20 30 ECEDLO CC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)C(=O)C1 ZINC001071260124 784870444 /nfs/dbraw/zinc/87/04/44/784870444.db2.gz IYXJWJVCNPGLJS-CQSZACIVSA-N 1 2 329.404 0.655 20 30 ECEDLO CC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)C(=O)C1 ZINC001071260124 784870451 /nfs/dbraw/zinc/87/04/51/784870451.db2.gz IYXJWJVCNPGLJS-CQSZACIVSA-N 1 2 329.404 0.655 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3cnco3)C2)C(=O)C1 ZINC001071271217 784903529 /nfs/dbraw/zinc/90/35/29/784903529.db2.gz ZKXIVKKYZSBWSC-AWEZNQCLSA-N 1 2 330.388 0.447 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3cnco3)C2)C(=O)C1 ZINC001071271217 784903535 /nfs/dbraw/zinc/90/35/35/784903535.db2.gz ZKXIVKKYZSBWSC-AWEZNQCLSA-N 1 2 330.388 0.447 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cn2ncn(C)c2=O)CC[C@H]1C ZINC001071625592 785411329 /nfs/dbraw/zinc/41/13/29/785411329.db2.gz PYSUTDMCSSILEL-VXGBXAGGSA-N 1 2 327.816 0.303 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cn2ncn(C)c2=O)CC[C@H]1C ZINC001071625592 785411332 /nfs/dbraw/zinc/41/13/32/785411332.db2.gz PYSUTDMCSSILEL-VXGBXAGGSA-N 1 2 327.816 0.303 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3cnnn3C)C2)cn1 ZINC001072002730 785509805 /nfs/dbraw/zinc/50/98/05/785509805.db2.gz NYJPOBLUTCALRV-XJKSGUPXSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3cnnn3C)C2)cn1 ZINC001072002730 785509811 /nfs/dbraw/zinc/50/98/11/785509811.db2.gz NYJPOBLUTCALRV-XJKSGUPXSA-N 1 2 338.415 0.974 20 30 ECEDLO C=CCCOCC(=O)N[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001072318184 786032273 /nfs/dbraw/zinc/03/22/73/786032273.db2.gz ZKSCMXKBSAVGMY-ZFWWWQNUSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCCOCC(=O)N[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001072318184 786032274 /nfs/dbraw/zinc/03/22/74/786032274.db2.gz ZKSCMXKBSAVGMY-ZFWWWQNUSA-N 1 2 334.420 0.898 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1nnnn1C1CC1)C2 ZINC001072553044 786357521 /nfs/dbraw/zinc/35/75/21/786357521.db2.gz VTUYALRXJRISTO-RYUDHWBXSA-N 1 2 329.408 0.763 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1nnnn1C1CC1)C2 ZINC001072553044 786357525 /nfs/dbraw/zinc/35/75/25/786357525.db2.gz VTUYALRXJRISTO-RYUDHWBXSA-N 1 2 329.408 0.763 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CCCO[C@H](CNC(C)=O)C2)c1 ZINC001073503303 786435037 /nfs/dbraw/zinc/43/50/37/786435037.db2.gz CBGFNQAAMWMCOQ-QGZVFWFLSA-N 1 2 329.400 0.833 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@H+]2CCCO[C@H](CNC(C)=O)C2)c1 ZINC001073503303 786435045 /nfs/dbraw/zinc/43/50/45/786435045.db2.gz CBGFNQAAMWMCOQ-QGZVFWFLSA-N 1 2 329.400 0.833 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccn4nnnc34)C[C@@H]21 ZINC001074251726 786520227 /nfs/dbraw/zinc/52/02/27/786520227.db2.gz BQUROIWBNDSGLT-LSDHHAIUSA-N 1 2 342.403 0.616 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccn4nnnc34)C[C@@H]21 ZINC001074251726 786520229 /nfs/dbraw/zinc/52/02/29/786520229.db2.gz BQUROIWBNDSGLT-LSDHHAIUSA-N 1 2 342.403 0.616 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnn4c3CCC4)C[C@H]21 ZINC001074259384 786534910 /nfs/dbraw/zinc/53/49/10/786534910.db2.gz MFIBMPWOWWFPPD-IAGOWNOFSA-N 1 2 328.416 0.768 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnn4c3CCC4)C[C@H]21 ZINC001074259384 786534915 /nfs/dbraw/zinc/53/49/15/786534915.db2.gz MFIBMPWOWWFPPD-IAGOWNOFSA-N 1 2 328.416 0.768 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnn4ccncc34)C[C@@H]21 ZINC001074268468 786551442 /nfs/dbraw/zinc/55/14/42/786551442.db2.gz KNINYFYNABZPFL-IRXDYDNUSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnn4ccncc34)C[C@@H]21 ZINC001074268468 786551449 /nfs/dbraw/zinc/55/14/49/786551449.db2.gz KNINYFYNABZPFL-IRXDYDNUSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnc4n[nH]cc4c3)C[C@@H]21 ZINC001074276464 786569634 /nfs/dbraw/zinc/56/96/34/786569634.db2.gz NLBPYDRBUCHEMG-HOTGVXAUSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnc4n[nH]cc4c3)C[C@@H]21 ZINC001074276464 786569641 /nfs/dbraw/zinc/56/96/41/786569641.db2.gz NLBPYDRBUCHEMG-HOTGVXAUSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)nc3COC)C[C@@H]21 ZINC001074279103 786575296 /nfs/dbraw/zinc/57/52/96/786575296.db2.gz FZVWALZJULEGTC-IRXDYDNUSA-N 1 2 346.431 0.505 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)nc3COC)C[C@@H]21 ZINC001074279103 786575301 /nfs/dbraw/zinc/57/53/01/786575301.db2.gz FZVWALZJULEGTC-IRXDYDNUSA-N 1 2 346.431 0.505 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccn(CCOC)n3)C[C@@H]21 ZINC001074290879 786606705 /nfs/dbraw/zinc/60/67/05/786606705.db2.gz CODTXZHFUAIEPZ-DLBZAZTESA-N 1 2 346.431 0.468 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccn(CCOC)n3)C[C@@H]21 ZINC001074290879 786606710 /nfs/dbraw/zinc/60/67/10/786606710.db2.gz CODTXZHFUAIEPZ-DLBZAZTESA-N 1 2 346.431 0.468 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2nccnc2N)C1 ZINC001073561796 786607903 /nfs/dbraw/zinc/60/79/03/786607903.db2.gz BWXGSUKOGVCRCW-NSHDSACASA-N 1 2 325.800 0.632 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2nccnc2N)C1 ZINC001073561796 786607911 /nfs/dbraw/zinc/60/79/11/786607911.db2.gz BWXGSUKOGVCRCW-NSHDSACASA-N 1 2 325.800 0.632 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccn4nnnc4c3)C[C@H]21 ZINC001074315406 786657632 /nfs/dbraw/zinc/65/76/32/786657632.db2.gz VRCDUDZTEUSSTP-HUUCEWRRSA-N 1 2 340.387 0.063 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccn4nnnc4c3)C[C@H]21 ZINC001074315406 786657641 /nfs/dbraw/zinc/65/76/41/786657641.db2.gz VRCDUDZTEUSSTP-HUUCEWRRSA-N 1 2 340.387 0.063 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccc(OC)cn3)C[C@@H]21 ZINC001074326427 786680176 /nfs/dbraw/zinc/68/01/76/786680176.db2.gz FFRCELMSSOMZBC-ZWKOTPCHSA-N 1 2 343.427 0.958 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccc(OC)cn3)C[C@@H]21 ZINC001074326427 786680182 /nfs/dbraw/zinc/68/01/82/786680182.db2.gz FFRCELMSSOMZBC-ZWKOTPCHSA-N 1 2 343.427 0.958 20 30 ECEDLO C=CC[N@@H+]1CCCO[C@@H](CNC(=O)c2coc(S(C)(=O)=O)c2)C1 ZINC001073614002 786771408 /nfs/dbraw/zinc/77/14/08/786771408.db2.gz PETMCUXEUVGVAV-ZDUSSCGKSA-N 1 2 342.417 0.690 20 30 ECEDLO C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2coc(S(C)(=O)=O)c2)C1 ZINC001073614002 786771414 /nfs/dbraw/zinc/77/14/14/786771414.db2.gz PETMCUXEUVGVAV-ZDUSSCGKSA-N 1 2 342.417 0.690 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3c4c(nn3C)CCC4)C[C@@H]21 ZINC001074381875 786810756 /nfs/dbraw/zinc/81/07/56/786810756.db2.gz ARDTZISXSXIOAV-DLBZAZTESA-N 1 2 342.443 0.847 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c4c(nn3C)CCC4)C[C@@H]21 ZINC001074381875 786810759 /nfs/dbraw/zinc/81/07/59/786810759.db2.gz ARDTZISXSXIOAV-DLBZAZTESA-N 1 2 342.443 0.847 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3OCC[N@@H+](CCCO)[C@@H]3C2)nc1 ZINC001074384533 786819684 /nfs/dbraw/zinc/81/96/84/786819684.db2.gz IHGGOXMPZJZAAM-SJORKVTESA-N 1 2 329.400 0.361 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3OCC[N@H+](CCCO)[C@@H]3C2)nc1 ZINC001074384533 786819691 /nfs/dbraw/zinc/81/96/91/786819691.db2.gz IHGGOXMPZJZAAM-SJORKVTESA-N 1 2 329.400 0.361 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(C(N)=O)n3)C[C@@H]21 ZINC001074417042 786917718 /nfs/dbraw/zinc/91/77/18/786917718.db2.gz HOFGABDZDUGBOE-JKSUJKDBSA-N 1 2 342.399 0.119 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(C(N)=O)n3)C[C@@H]21 ZINC001074417042 786917725 /nfs/dbraw/zinc/91/77/25/786917725.db2.gz HOFGABDZDUGBOE-JKSUJKDBSA-N 1 2 342.399 0.119 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCCO[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001073674881 786942919 /nfs/dbraw/zinc/94/29/19/786942919.db2.gz QRRSGOPLJFEZAI-HNNXBMFYSA-N 1 2 340.387 0.697 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCCO[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001073674881 786942923 /nfs/dbraw/zinc/94/29/23/786942923.db2.gz QRRSGOPLJFEZAI-HNNXBMFYSA-N 1 2 340.387 0.697 20 30 ECEDLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1NC(=O)CSCC#N ZINC001073746843 787115326 /nfs/dbraw/zinc/11/53/26/787115326.db2.gz DXFGOGZXNPUVKX-NWDGAFQWSA-N 1 2 335.433 0.562 20 30 ECEDLO C#CCOc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)CCCO2)cc1 ZINC001073801606 787229145 /nfs/dbraw/zinc/22/91/45/787229145.db2.gz PNHAUKBKAXXQDQ-MRXNPFEDSA-N 1 2 345.399 0.005 20 30 ECEDLO C#CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)CCCO2)cc1 ZINC001073801606 787229152 /nfs/dbraw/zinc/22/91/52/787229152.db2.gz PNHAUKBKAXXQDQ-MRXNPFEDSA-N 1 2 345.399 0.005 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001073820100 787263816 /nfs/dbraw/zinc/26/38/16/787263816.db2.gz NYBLYXYRMFEEFK-HIFRSBDPSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001073820100 787263819 /nfs/dbraw/zinc/26/38/19/787263819.db2.gz NYBLYXYRMFEEFK-HIFRSBDPSA-N 1 2 334.420 0.898 20 30 ECEDLO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2[nH]nc3c2C[C@@H](C)CC3)C1 ZINC001073837831 787318751 /nfs/dbraw/zinc/31/87/51/787318751.db2.gz VJECXALFCDTOLD-UONOGXRCSA-N 1 2 330.432 0.988 20 30 ECEDLO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2[nH]nc3c2C[C@@H](C)CC3)C1 ZINC001073837831 787318761 /nfs/dbraw/zinc/31/87/61/787318761.db2.gz VJECXALFCDTOLD-UONOGXRCSA-N 1 2 330.432 0.988 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2cccn(C)c2=O)C1 ZINC001073859212 787378739 /nfs/dbraw/zinc/37/87/39/787378739.db2.gz DAZOWHWTBRYTJR-CYBMUJFWSA-N 1 2 339.823 0.959 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2cccn(C)c2=O)C1 ZINC001073859212 787378748 /nfs/dbraw/zinc/37/87/48/787378748.db2.gz DAZOWHWTBRYTJR-CYBMUJFWSA-N 1 2 339.823 0.959 20 30 ECEDLO C=CCCC(=O)NCC1(O)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001074646962 787496484 /nfs/dbraw/zinc/49/64/84/787496484.db2.gz HHYIFEYIGPKXLE-UHFFFAOYSA-N 1 2 334.420 0.399 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC(O)(CNC(=O)C#CC(C)C)CC1 ZINC001074657621 787525387 /nfs/dbraw/zinc/52/53/87/787525387.db2.gz URNDCAIZWBULNV-UHFFFAOYSA-N 1 2 346.431 0.390 20 30 ECEDLO CC#CCCCC(=O)N1CCC(O)(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001074681444 787579647 /nfs/dbraw/zinc/57/96/47/787579647.db2.gz WQEPTIMDBMPJNU-UHFFFAOYSA-N 1 2 346.431 0.546 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC001073960242 787587349 /nfs/dbraw/zinc/58/73/49/787587349.db2.gz LLEMAFZAADSNIX-LSDHHAIUSA-N 1 2 346.431 0.735 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001074706045 787647216 /nfs/dbraw/zinc/64/72/16/787647216.db2.gz DWTXBHDTZPJKNM-STQMWFEESA-N 1 2 347.419 0.218 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001074706045 787647217 /nfs/dbraw/zinc/64/72/17/787647217.db2.gz DWTXBHDTZPJKNM-STQMWFEESA-N 1 2 347.419 0.218 20 30 ECEDLO C=CCCOCC(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001074034031 787730981 /nfs/dbraw/zinc/73/09/81/787730981.db2.gz UJPXOYOBTMEVDY-HUUCEWRRSA-N 1 2 334.420 0.829 20 30 ECEDLO N#CCN1CCC2(CN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)C2)C1 ZINC001072911027 789092887 /nfs/dbraw/zinc/09/28/87/789092887.db2.gz HHRZOWUCQMTZLA-INIZCTEOSA-N 1 2 332.448 0.688 20 30 ECEDLO N#CCN1CCC2(CN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)C2)C1 ZINC001072911027 789092894 /nfs/dbraw/zinc/09/28/94/789092894.db2.gz HHRZOWUCQMTZLA-INIZCTEOSA-N 1 2 332.448 0.688 20 30 ECEDLO CC#CC[N@@H+]1CCC2(CN(C(=O)C[C@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001073107593 789451751 /nfs/dbraw/zinc/45/17/51/789451751.db2.gz VPJNVPBNDUOIJG-OAHLLOKOSA-N 1 2 338.473 0.759 20 30 ECEDLO CC#CC[N@H+]1CCC2(CN(C(=O)C[C@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001073107593 789451754 /nfs/dbraw/zinc/45/17/54/789451754.db2.gz VPJNVPBNDUOIJG-OAHLLOKOSA-N 1 2 338.473 0.759 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001075531292 789461333 /nfs/dbraw/zinc/46/13/33/789461333.db2.gz DWOPBGLFBCIXIS-WDEREUQCSA-N 1 2 341.213 0.114 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001075531292 789461340 /nfs/dbraw/zinc/46/13/40/789461340.db2.gz DWOPBGLFBCIXIS-WDEREUQCSA-N 1 2 341.213 0.114 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC1(C)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001073128356 789490161 /nfs/dbraw/zinc/49/01/61/789490161.db2.gz BBEUOWSKHGXQDW-QGZVFWFLSA-N 1 2 334.420 0.708 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC1(C)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001073129883 789494251 /nfs/dbraw/zinc/49/42/51/789494251.db2.gz KYSWICVDTPESIS-AWEZNQCLSA-N 1 2 332.404 0.419 20 30 ECEDLO N#Cc1nccnc1N1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC001069268347 789719492 /nfs/dbraw/zinc/71/94/92/789719492.db2.gz FFRYNVLVRHDSMB-RHSMWYFYSA-N 1 2 337.387 0.863 20 30 ECEDLO N#Cc1ccc(N2CC[C@]3(NC(=O)Cc4[nH]cc[nH+]4)CCC[C@H]23)nn1 ZINC001069270858 789721544 /nfs/dbraw/zinc/72/15/44/789721544.db2.gz IDIYMDWGCRKMIE-SUMWQHHRSA-N 1 2 337.387 0.932 20 30 ECEDLO N#Cc1nccnc1N1CC[C@]2(NC(=O)Cc3[nH]cc[nH+]3)CCC[C@H]12 ZINC001069271546 789722750 /nfs/dbraw/zinc/72/27/50/789722750.db2.gz UDKWMEUWSKMPDY-SUMWQHHRSA-N 1 2 337.387 0.932 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001073377187 789772534 /nfs/dbraw/zinc/77/25/34/789772534.db2.gz KRYOCIPSRHETTH-KSSFIOAISA-N 1 2 348.447 0.954 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC001073392954 789784485 /nfs/dbraw/zinc/78/44/85/789784485.db2.gz BPUOBVKWNYDLFN-UONOGXRCSA-N 1 2 346.431 0.734 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001073394264 789786091 /nfs/dbraw/zinc/78/60/91/789786091.db2.gz YNQKURLRHYJQTC-HNNXBMFYSA-N 1 2 346.431 0.666 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1c1nccnc1C#N ZINC001069384397 789789949 /nfs/dbraw/zinc/78/99/49/789789949.db2.gz XQGRWTAMIGPUOQ-VXGBXAGGSA-N 1 2 325.376 0.788 20 30 ECEDLO N#Cc1nccc(NC[C@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001069483112 789855451 /nfs/dbraw/zinc/85/54/51/789855451.db2.gz DNYZKHTVVQPZJN-NWDGAFQWSA-N 1 2 325.376 0.433 20 30 ECEDLO CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1Nc1cncc(C#N)n1 ZINC001069574753 789911242 /nfs/dbraw/zinc/91/12/42/789911242.db2.gz UOPAJBYTXGFTOH-ZDUSSCGKSA-N 1 2 325.376 0.894 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CCC(=O)NC3)c2C1 ZINC001069866590 790124874 /nfs/dbraw/zinc/12/48/74/790124874.db2.gz XTYTYCAIAXSGON-ZDUSSCGKSA-N 1 2 331.420 0.417 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CCC(=O)NC3)c2C1 ZINC001069866590 790124876 /nfs/dbraw/zinc/12/48/76/790124876.db2.gz XTYTYCAIAXSGON-ZDUSSCGKSA-N 1 2 331.420 0.417 20 30 ECEDLO C#CCN1CCn2ncc(CNC(=O)c3cccc4[nH+]ccn43)c2C1 ZINC001069867167 790126073 /nfs/dbraw/zinc/12/60/73/790126073.db2.gz BEPMVGLUHWXBJF-UHFFFAOYSA-N 1 2 334.383 0.910 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2ccsc2)[C@@H](n2ccnn2)C1 ZINC001069892750 790161061 /nfs/dbraw/zinc/16/10/61/790161061.db2.gz NCVLNBLEDYGZKP-CABCVRRESA-N 1 2 329.429 0.947 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2ccsc2)[C@@H](n2ccnn2)C1 ZINC001069892750 790161065 /nfs/dbraw/zinc/16/10/65/790161065.db2.gz NCVLNBLEDYGZKP-CABCVRRESA-N 1 2 329.429 0.947 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3c[nH]nc32)[C@@H](n2ccnn2)C1 ZINC001069927315 790198290 /nfs/dbraw/zinc/19/82/90/790198290.db2.gz UUWJLKOXDDFVJP-KFWWJZLASA-N 1 2 339.403 0.096 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3c[nH]nc32)[C@@H](n2ccnn2)C1 ZINC001069927315 790198296 /nfs/dbraw/zinc/19/82/96/790198296.db2.gz UUWJLKOXDDFVJP-KFWWJZLASA-N 1 2 339.403 0.096 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2c(Cl)cnn2CC)[C@@H](n2ccnn2)C1 ZINC001069936781 790210645 /nfs/dbraw/zinc/21/06/45/790210645.db2.gz SZPPOIRHDRJGNX-OLZOCXBDSA-N 1 2 349.826 0.989 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2c(Cl)cnn2CC)[C@@H](n2ccnn2)C1 ZINC001069936781 790210652 /nfs/dbraw/zinc/21/06/52/790210652.db2.gz SZPPOIRHDRJGNX-OLZOCXBDSA-N 1 2 349.826 0.989 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(OCC)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069956034 790238565 /nfs/dbraw/zinc/23/85/65/790238565.db2.gz ZKUSWHPOTYZUBM-OLZOCXBDSA-N 1 2 331.380 0.241 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(OCC)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069956034 790238569 /nfs/dbraw/zinc/23/85/69/790238569.db2.gz ZKUSWHPOTYZUBM-OLZOCXBDSA-N 1 2 331.380 0.241 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc3ncn(C)c32)[C@@H](n2ccnn2)C1 ZINC001069962333 790246300 /nfs/dbraw/zinc/24/63/00/790246300.db2.gz QEUWGDTYEICCLQ-CVEARBPZSA-N 1 2 349.398 0.453 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc3ncn(C)c32)[C@@H](n2ccnn2)C1 ZINC001069962333 790246305 /nfs/dbraw/zinc/24/63/05/790246305.db2.gz QEUWGDTYEICCLQ-CVEARBPZSA-N 1 2 349.398 0.453 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2n[nH]c3c2CCC3)[C@@H](n2ccnn2)C1 ZINC001069967260 790254443 /nfs/dbraw/zinc/25/44/43/790254443.db2.gz VVAVXYPSWKESFU-CABCVRRESA-N 1 2 341.419 0.721 20 30 ECEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2n[nH]c3c2CCC3)[C@@H](n2ccnn2)C1 ZINC001069967260 790254447 /nfs/dbraw/zinc/25/44/47/790254447.db2.gz VVAVXYPSWKESFU-CABCVRRESA-N 1 2 341.419 0.721 20 30 ECEDLO CC(C)C#CC(=O)N[C@H]1COC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001068859291 791280471 /nfs/dbraw/zinc/28/04/71/791280471.db2.gz QFBXQIYEGOUUTM-CQSZACIVSA-N 1 2 330.388 0.098 20 30 ECEDLO C=CCCOCC(=O)N[C@H]1COC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001068909984 791396408 /nfs/dbraw/zinc/39/64/08/791396408.db2.gz CKQIIEIJLXMHGA-CQSZACIVSA-N 1 2 348.403 0.031 20 30 ECEDLO C=CCCC(=O)N1CC2(C1)C[C@H](NC(=O)Cc1[nH]c[nH+]c1C)CO2 ZINC001068941035 791471317 /nfs/dbraw/zinc/47/13/17/791471317.db2.gz UCBRRKMVRFEOJK-ZDUSSCGKSA-N 1 2 332.404 0.713 20 30 ECEDLO C[C@@H]1[C@H](Nc2ccnc(C#N)n2)CCN1C(=O)CCc1[nH+]ccn1C ZINC001068988620 791555694 /nfs/dbraw/zinc/55/56/94/791555694.db2.gz DYLDBXDKEFQEGH-CHWSQXEVSA-N 1 2 339.403 0.538 20 30 ECEDLO C[C@@H](C#N)C(=O)N[C@@H]1COC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001069004345 791577553 /nfs/dbraw/zinc/57/75/53/791577553.db2.gz VXCRAKUSUJDVIH-RYUDHWBXSA-N 1 2 345.403 0.333 20 30 ECEDLO Cc1cc(C)nc(N2CC[NH+]([C@@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)n1 ZINC001066698220 792017170 /nfs/dbraw/zinc/01/71/70/792017170.db2.gz IVWHTMKGDUOZRL-CZUORRHYSA-N 1 2 342.447 0.976 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC001066698274 792017586 /nfs/dbraw/zinc/01/75/86/792017586.db2.gz JODJHFURWGXNOP-HOCLYGCPSA-N 1 2 338.415 0.836 20 30 ECEDLO COc1ccnc(N2CC[NH+]([C@@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)n1 ZINC001066698529 792018605 /nfs/dbraw/zinc/01/86/05/792018605.db2.gz LUQBCIVFYMSCPK-ZIAGYGMSSA-N 1 2 344.419 0.368 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(c3cc(F)ncn3)CC2)C1 ZINC001066698288 792018771 /nfs/dbraw/zinc/01/87/71/792018771.db2.gz JRFYOCPFUVTKPO-CHWSQXEVSA-N 1 2 332.383 0.498 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]([NH+]2CCN(c3ncccn3)CC2)C1 ZINC001066700706 792027059 /nfs/dbraw/zinc/02/70/59/792027059.db2.gz KTFFFRSDUWSPKU-MRXNPFEDSA-N 1 2 325.416 0.613 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCCN(c2cncc(C#N)n2)CC1 ZINC001066755534 792108784 /nfs/dbraw/zinc/10/87/84/792108784.db2.gz LPSYUWOYPLYYNM-ZDUSSCGKSA-N 1 2 339.403 0.800 20 30 ECEDLO C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001067705108 792160407 /nfs/dbraw/zinc/16/04/07/792160407.db2.gz GSKIHNUTEQJPGU-ZIAGYGMSSA-N 1 2 331.420 0.912 20 30 ECEDLO C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001067794070 792298448 /nfs/dbraw/zinc/29/84/48/792298448.db2.gz AEJAHNDIOMXNFQ-CQSZACIVSA-N 1 2 338.452 0.564 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)CCCN(C)C(=O)Cc2[nH]cc[nH+]2)nc1 ZINC001067869610 792397705 /nfs/dbraw/zinc/39/77/05/792397705.db2.gz CWXSMWWZLSLIIY-UHFFFAOYSA-N 1 2 339.399 0.949 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CN(c2ccc(C#N)nn2)CC[C@@H]1C ZINC001067963518 792513676 /nfs/dbraw/zinc/51/36/76/792513676.db2.gz PWDYLNXJZHKQAH-NHYWBVRUSA-N 1 2 339.403 0.954 20 30 ECEDLO C[C@@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067963458 792513988 /nfs/dbraw/zinc/51/39/88/792513988.db2.gz PIALXLMQLPAQAT-OCCSQVGLSA-N 1 2 339.403 0.655 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CN(c2ccc(C#N)nn2)CC[C@H]1C ZINC001067963516 792514152 /nfs/dbraw/zinc/51/41/52/792514152.db2.gz PWDYLNXJZHKQAH-ABAIWWIYSA-N 1 2 339.403 0.954 20 30 ECEDLO C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001068060145 792612555 /nfs/dbraw/zinc/61/25/55/792612555.db2.gz DGCSUELJWJPSTB-MGPQQGTHSA-N 1 2 331.420 0.990 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1Nc1cncc(C#N)n1 ZINC001067123576 792721260 /nfs/dbraw/zinc/72/12/60/792721260.db2.gz WBYFSVJZXVIQNV-RISCZKNCSA-N 1 2 325.376 0.583 20 30 ECEDLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1Nc1cnc(C#N)cn1 ZINC001067123931 792722856 /nfs/dbraw/zinc/72/28/56/792722856.db2.gz YPMUZLBJJONFTI-SMDDNHRTSA-N 1 2 325.376 0.583 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@H](Nc2ccnc(C#N)n2)C1 ZINC001067126318 792726458 /nfs/dbraw/zinc/72/64/58/792726458.db2.gz DEFKZKBXWFNNKW-GXFFZTMASA-N 1 2 325.376 0.303 20 30 ECEDLO N#Cc1ccc(N2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)[C@@H]3C2)nn1 ZINC001068207362 792827595 /nfs/dbraw/zinc/82/75/95/792827595.db2.gz NTDVFOVATLTTSP-RYPNDVFKSA-N 1 2 349.398 0.673 20 30 ECEDLO N#Cc1ccc(N2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)[C@@H]3C2)nn1 ZINC001068207362 792827611 /nfs/dbraw/zinc/82/76/11/792827611.db2.gz NTDVFOVATLTTSP-RYPNDVFKSA-N 1 2 349.398 0.673 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1Nc1cnc(C#N)cn1 ZINC001067227394 792848621 /nfs/dbraw/zinc/84/86/21/792848621.db2.gz KNODXTJMAXIAGB-JSGCOSHPSA-N 1 2 339.403 0.973 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1Nc1ccnc(C#N)n1 ZINC001067227594 792848652 /nfs/dbraw/zinc/84/86/52/792848652.db2.gz PODZJFUCAFQHPX-QWHCGFSZSA-N 1 2 339.403 0.395 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N(C)CCCN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001067292692 792946365 /nfs/dbraw/zinc/94/63/65/792946365.db2.gz VFCDYGHIEUOXAL-KRWDZBQOSA-N 1 2 336.436 0.976 20 30 ECEDLO C[C@H]1C[C@H](CNc2ccnc(C#N)n2)CN1C(=O)CCn1cc[nH+]c1 ZINC001068362864 793128263 /nfs/dbraw/zinc/12/82/63/793128263.db2.gz YYTGOPBBQNABFZ-UONOGXRCSA-N 1 2 339.403 0.706 20 30 ECEDLO C[C@@H]1CN(c2ccnc(C#N)n2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067439728 793163084 /nfs/dbraw/zinc/16/30/84/793163084.db2.gz FUPZVJPTWJUFPP-YPMHNXCESA-N 1 2 325.376 0.645 20 30 ECEDLO CC(C)(C)C#CC(=O)N1CC2(C1)CN(C(=O)Cn1cc[nH+]c1)CCO2 ZINC001068409412 793251116 /nfs/dbraw/zinc/25/11/16/793251116.db2.gz FSVVTMCKPXIANK-UHFFFAOYSA-N 1 2 344.415 0.372 20 30 ECEDLO CCCN(C(=O)Cn1cc(C)cn1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267540447 837724467 /nfs/dbraw/zinc/72/44/67/837724467.db2.gz ZKMVTJUFKPNRFQ-OAHLLOKOSA-N 1 2 346.435 0.144 20 30 ECEDLO CCCN(C(=O)Cn1cc(C)cn1)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267540447 837724470 /nfs/dbraw/zinc/72/44/70/837724470.db2.gz ZKMVTJUFKPNRFQ-OAHLLOKOSA-N 1 2 346.435 0.144 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cnon2)C1 ZINC001267548154 837745181 /nfs/dbraw/zinc/74/51/81/837745181.db2.gz ZMPYEMUILIYLSB-CHWSQXEVSA-N 1 2 333.392 0.134 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(CCC)C(=O)c2cnon2)C1 ZINC001267548154 837745183 /nfs/dbraw/zinc/74/51/83/837745183.db2.gz ZMPYEMUILIYLSB-CHWSQXEVSA-N 1 2 333.392 0.134 20 30 ECEDLO C#CC[NH+]1CCN(CCN(C)C(=O)C[C@H](C)c2cnn(C)c2)CC1 ZINC001267572990 837812862 /nfs/dbraw/zinc/81/28/62/837812862.db2.gz FCZRDAOJECIPHM-INIZCTEOSA-N 1 2 331.464 0.623 20 30 ECEDLO C#CCN1CC[NH+](CCN(C)C(=O)c2nc(C)n3ccccc23)CC1 ZINC001267573560 837817390 /nfs/dbraw/zinc/81/73/90/837817390.db2.gz UHPAOBQTDZOSTH-UHFFFAOYSA-N 1 2 339.443 0.966 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)c1cn(C)nc1C(C)(C)C ZINC001267575971 837829781 /nfs/dbraw/zinc/82/97/81/837829781.db2.gz PCGGLTNDBJGKOX-UHFFFAOYSA-N 1 2 346.479 0.931 20 30 ECEDLO C#CCN1CC[NH+](CCN(C)C(=O)c2cc3c(cn2)OCCC3)CC1 ZINC001267576150 837830985 /nfs/dbraw/zinc/83/09/85/837830985.db2.gz SOBSGXSVFDMMQK-UHFFFAOYSA-N 1 2 342.443 0.729 20 30 ECEDLO CNC(=O)c1cccc(C(=O)N(C)CC[NH+]2CCN(CC#N)CC2)c1 ZINC001267577416 837834907 /nfs/dbraw/zinc/83/49/07/837834907.db2.gz NZHPZMBHGOZMCX-UHFFFAOYSA-N 1 2 343.431 0.259 20 30 ECEDLO C[N@H+](CCNC(=O)[C@H]1CCOC1)CC(=O)NCC#Cc1ccccc1 ZINC001266261004 835571978 /nfs/dbraw/zinc/57/19/78/835571978.db2.gz ZSTNBCBSIAUAMU-KRWDZBQOSA-N 1 2 343.427 0.239 20 30 ECEDLO C[N@@H+](CCNC(=O)[C@H]1CCOC1)CC(=O)NCC#Cc1ccccc1 ZINC001266261004 835571986 /nfs/dbraw/zinc/57/19/86/835571986.db2.gz ZSTNBCBSIAUAMU-KRWDZBQOSA-N 1 2 343.427 0.239 20 30 ECEDLO Cc1nnsc1CN1CC[NH+](CCCNC(=O)C#CC2CC2)CC1 ZINC001266262106 835572255 /nfs/dbraw/zinc/57/22/55/835572255.db2.gz CKTZBNCWLDUABC-UHFFFAOYSA-N 1 2 347.488 0.884 20 30 ECEDLO COCC(=O)NCC[NH+]1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC001266279612 835607680 /nfs/dbraw/zinc/60/76/80/835607680.db2.gz WWSABBBQGHRLCF-UHFFFAOYSA-N 1 2 333.407 0.557 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1ccc2c(c1)OCCCO2 ZINC001266282475 835611133 /nfs/dbraw/zinc/61/11/33/835611133.db2.gz CWBFNQDMPIDKAX-UHFFFAOYSA-N 1 2 345.399 0.259 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccc2c(c1)OCCCO2 ZINC001266282475 835611137 /nfs/dbraw/zinc/61/11/37/835611137.db2.gz CWBFNQDMPIDKAX-UHFFFAOYSA-N 1 2 345.399 0.259 20 30 ECEDLO N#CCN1CC[NH+](CCNC(=O)[C@H]2COc3cc(F)ccc3C2)CC1 ZINC001266285725 835620597 /nfs/dbraw/zinc/62/05/97/835620597.db2.gz KPRITZPVOSHTRD-OAHLLOKOSA-N 1 2 346.406 0.634 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCN(c2ccccc2)C1 ZINC001266286334 835623288 /nfs/dbraw/zinc/62/32/88/835623288.db2.gz IPSXGULKUCWLOG-INIZCTEOSA-N 1 2 344.459 0.863 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCN(c2ccccc2)C1 ZINC001266286334 835623290 /nfs/dbraw/zinc/62/32/90/835623290.db2.gz IPSXGULKUCWLOG-INIZCTEOSA-N 1 2 344.459 0.863 20 30 ECEDLO CC#CCN1CC[NH+](CCNC(=O)c2cccn3nccc23)CC1 ZINC001266288127 835631126 /nfs/dbraw/zinc/63/11/26/835631126.db2.gz TZDGJDTXENSHAB-UHFFFAOYSA-N 1 2 325.416 0.705 20 30 ECEDLO C[N@H+](CCNC(=O)c1cc(F)cc2ccoc21)CC(=O)NCC#N ZINC001266290656 835634889 /nfs/dbraw/zinc/63/48/89/835634889.db2.gz HQVMHGZFCFUAOS-UHFFFAOYSA-N 1 2 332.335 0.873 20 30 ECEDLO C[N@@H+](CCNC(=O)c1cc(F)cc2ccoc21)CC(=O)NCC#N ZINC001266290656 835634895 /nfs/dbraw/zinc/63/48/95/835634895.db2.gz HQVMHGZFCFUAOS-UHFFFAOYSA-N 1 2 332.335 0.873 20 30 ECEDLO C[N@H+](CCNC(=O)[C@H]1COc2ccc(F)cc2C1)CC(=O)NCC#N ZINC001266297337 835646847 /nfs/dbraw/zinc/64/68/47/835646847.db2.gz LQUUIYIUOVLBGE-CYBMUJFWSA-N 1 2 348.378 0.065 20 30 ECEDLO C[N@@H+](CCNC(=O)[C@H]1COc2ccc(F)cc2C1)CC(=O)NCC#N ZINC001266297337 835646850 /nfs/dbraw/zinc/64/68/50/835646850.db2.gz LQUUIYIUOVLBGE-CYBMUJFWSA-N 1 2 348.378 0.065 20 30 ECEDLO Cc1nn(C)c(C)c1C[C@H](C)C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001266297933 835650082 /nfs/dbraw/zinc/65/00/82/835650082.db2.gz YERXEESGQDQUIC-AWEZNQCLSA-N 1 2 346.479 0.473 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1cc(C)nc2onc(C)c21 ZINC001266304305 835668140 /nfs/dbraw/zinc/66/81/40/835668140.db2.gz QKKNLHPQRBAMDG-UHFFFAOYSA-N 1 2 343.387 0.251 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1cc(C)nc2onc(C)c21 ZINC001266304305 835668145 /nfs/dbraw/zinc/66/81/45/835668145.db2.gz QKKNLHPQRBAMDG-UHFFFAOYSA-N 1 2 343.387 0.251 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)cn2)C1 ZINC001266313387 835680648 /nfs/dbraw/zinc/68/06/48/835680648.db2.gz ABNUIXANPFZTDH-CQSZACIVSA-N 1 2 333.436 0.649 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)cn2)C1 ZINC001266313387 835680650 /nfs/dbraw/zinc/68/06/50/835680650.db2.gz ABNUIXANPFZTDH-CQSZACIVSA-N 1 2 333.436 0.649 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ccc(C(F)F)n2)C1 ZINC001266323186 835698426 /nfs/dbraw/zinc/69/84/26/835698426.db2.gz WKCLPPUUBJGBFD-LLVKDONJSA-N 1 2 341.362 0.313 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(C(F)F)n2)C1 ZINC001266323186 835698435 /nfs/dbraw/zinc/69/84/35/835698435.db2.gz WKCLPPUUBJGBFD-LLVKDONJSA-N 1 2 341.362 0.313 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001266325960 835704262 /nfs/dbraw/zinc/70/42/62/835704262.db2.gz VLGXBHITOPNDQI-GJZGRUSLSA-N 1 2 348.447 0.935 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001266325960 835704269 /nfs/dbraw/zinc/70/42/69/835704269.db2.gz VLGXBHITOPNDQI-GJZGRUSLSA-N 1 2 348.447 0.935 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2cc(C)c(C)cn2)C1 ZINC001266330714 835711925 /nfs/dbraw/zinc/71/19/25/835711925.db2.gz HZRFHRMOUXRDFK-CABCVRRESA-N 1 2 328.416 0.640 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cc(C)c(C)cn2)C1 ZINC001266330714 835711933 /nfs/dbraw/zinc/71/19/33/835711933.db2.gz HZRFHRMOUXRDFK-CABCVRRESA-N 1 2 328.416 0.640 20 30 ECEDLO C=CCn1cc(C(=O)NCC[N@@H+](C)CC(=O)Nc2ccccc2)nn1 ZINC001266334924 835717636 /nfs/dbraw/zinc/71/76/36/835717636.db2.gz AWUOXDORTXRQLM-UHFFFAOYSA-N 1 2 342.403 0.764 20 30 ECEDLO C=CCn1cc(C(=O)NCC[N@H+](C)CC(=O)Nc2ccccc2)nn1 ZINC001266334924 835717641 /nfs/dbraw/zinc/71/76/41/835717641.db2.gz AWUOXDORTXRQLM-UHFFFAOYSA-N 1 2 342.403 0.764 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C(F)F)C1 ZINC001266341480 835727279 /nfs/dbraw/zinc/72/72/79/835727279.db2.gz IUZKBHKONCLHEG-JTQLQIEISA-N 1 2 346.378 0.480 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(F)F)C1 ZINC001266341480 835727285 /nfs/dbraw/zinc/72/72/85/835727285.db2.gz IUZKBHKONCLHEG-JTQLQIEISA-N 1 2 346.378 0.480 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC001266344691 835733580 /nfs/dbraw/zinc/73/35/80/835733580.db2.gz KXICABCXUMTJRD-GFCCVEGCSA-N 1 2 325.372 0.612 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC001266344691 835733586 /nfs/dbraw/zinc/73/35/86/835733586.db2.gz KXICABCXUMTJRD-GFCCVEGCSA-N 1 2 325.372 0.612 20 30 ECEDLO Cc1ccccc1CCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001266344875 835734311 /nfs/dbraw/zinc/73/43/11/835734311.db2.gz NMJFHGZONAVXKG-INIZCTEOSA-N 1 2 328.416 0.758 20 30 ECEDLO Cc1ccccc1CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001266344875 835734323 /nfs/dbraw/zinc/73/43/23/835734323.db2.gz NMJFHGZONAVXKG-INIZCTEOSA-N 1 2 328.416 0.758 20 30 ECEDLO C[N@H+](CCNC(=O)[C@@H]1Cc2ccc(Cl)cc21)CC(=O)NCC#N ZINC001266354493 835757052 /nfs/dbraw/zinc/75/70/52/835757052.db2.gz AQJYQHYXGGKODN-CQSZACIVSA-N 1 2 334.807 0.667 20 30 ECEDLO C[N@@H+](CCNC(=O)[C@@H]1Cc2ccc(Cl)cc21)CC(=O)NCC#N ZINC001266354493 835757062 /nfs/dbraw/zinc/75/70/62/835757062.db2.gz AQJYQHYXGGKODN-CQSZACIVSA-N 1 2 334.807 0.667 20 30 ECEDLO Cc1ccc2c(CC(=O)NCC[N@@H+](C)CC(=O)NCC#N)coc2c1 ZINC001266357076 835762978 /nfs/dbraw/zinc/76/29/78/835762978.db2.gz MRAMHMIRDJINPR-UHFFFAOYSA-N 1 2 342.399 0.972 20 30 ECEDLO Cc1ccc2c(CC(=O)NCC[N@H+](C)CC(=O)NCC#N)coc2c1 ZINC001266357076 835762985 /nfs/dbraw/zinc/76/29/85/835762985.db2.gz MRAMHMIRDJINPR-UHFFFAOYSA-N 1 2 342.399 0.972 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]nc2-c2ccco2)C1 ZINC001266359169 835767166 /nfs/dbraw/zinc/76/71/66/835767166.db2.gz OZXFJQBMICQQMJ-LLVKDONJSA-N 1 2 342.359 0.114 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2-c2ccco2)C1 ZINC001266359169 835767176 /nfs/dbraw/zinc/76/71/76/835767176.db2.gz OZXFJQBMICQQMJ-LLVKDONJSA-N 1 2 342.359 0.114 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2ccc(C)s2)C1 ZINC001266364115 835776080 /nfs/dbraw/zinc/77/60/80/835776080.db2.gz RNLSQNZDIRCGPE-AWEZNQCLSA-N 1 2 333.457 0.929 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2ccc(C)s2)C1 ZINC001266364115 835776088 /nfs/dbraw/zinc/77/60/88/835776088.db2.gz RNLSQNZDIRCGPE-AWEZNQCLSA-N 1 2 333.457 0.929 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccco1 ZINC001266460796 835863899 /nfs/dbraw/zinc/86/38/99/835863899.db2.gz DFWRFUSCQONVQO-GJZGRUSLSA-N 1 2 347.415 0.515 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCc1ccco1 ZINC001266460796 835863906 /nfs/dbraw/zinc/86/39/06/835863906.db2.gz DFWRFUSCQONVQO-GJZGRUSLSA-N 1 2 347.415 0.515 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1Cc2ccccc2O1 ZINC001266471559 835874617 /nfs/dbraw/zinc/87/46/17/835874617.db2.gz RBBJXMCVRPNJFN-HOCLYGCPSA-N 1 2 342.399 0.210 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1Cc2ccccc2O1 ZINC001266471559 835874624 /nfs/dbraw/zinc/87/46/24/835874624.db2.gz RBBJXMCVRPNJFN-HOCLYGCPSA-N 1 2 342.399 0.210 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1Cc2ccccc2O1 ZINC001266471557 835875015 /nfs/dbraw/zinc/87/50/15/835875015.db2.gz RBBJXMCVRPNJFN-GDBMZVCRSA-N 1 2 342.399 0.210 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1Cc2ccccc2O1 ZINC001266471557 835875019 /nfs/dbraw/zinc/87/50/19/835875019.db2.gz RBBJXMCVRPNJFN-GDBMZVCRSA-N 1 2 342.399 0.210 20 30 ECEDLO Cc1n[nH]c(C)c1CCC(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001266495454 835895583 /nfs/dbraw/zinc/89/55/83/835895583.db2.gz MZDVSJCBLHNOKH-AWEZNQCLSA-N 1 2 346.435 0.180 20 30 ECEDLO Cc1n[nH]c(C)c1CCC(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001266495454 835895590 /nfs/dbraw/zinc/89/55/90/835895590.db2.gz MZDVSJCBLHNOKH-AWEZNQCLSA-N 1 2 346.435 0.180 20 30 ECEDLO CCn1cc(C[N@@H+]2CCC[C@H](CNC(=O)CSCC#N)C2)nn1 ZINC001266740564 836223248 /nfs/dbraw/zinc/22/32/48/836223248.db2.gz UNJDFPCPYZZISA-CYBMUJFWSA-N 1 2 336.465 0.883 20 30 ECEDLO CCn1cc(C[N@H+]2CCC[C@H](CNC(=O)CSCC#N)C2)nn1 ZINC001266740564 836223258 /nfs/dbraw/zinc/22/32/58/836223258.db2.gz UNJDFPCPYZZISA-CYBMUJFWSA-N 1 2 336.465 0.883 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2nnc(CC)o2)C1 ZINC001266749804 836238703 /nfs/dbraw/zinc/23/87/03/836238703.db2.gz MCOQRGZYVVKORN-KBPBESRZSA-N 1 2 334.420 0.999 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+](Cc2nnc(CC)o2)C1 ZINC001266749804 836238711 /nfs/dbraw/zinc/23/87/11/836238711.db2.gz MCOQRGZYVVKORN-KBPBESRZSA-N 1 2 334.420 0.999 20 30 ECEDLO O=C(C#CC1CC1)NC[C@H]1CCCC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC001266842954 836369839 /nfs/dbraw/zinc/36/98/39/836369839.db2.gz XWYLQHJEPGQDFC-OAHLLOKOSA-N 1 2 346.431 0.359 20 30 ECEDLO O=C(C#CC1CC1)NC[C@H]1CCCC[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC001266842954 836369844 /nfs/dbraw/zinc/36/98/44/836369844.db2.gz XWYLQHJEPGQDFC-OAHLLOKOSA-N 1 2 346.431 0.359 20 30 ECEDLO C=CCCn1cc(C(=O)N(C)CC[NH2+][C@H](C)c2nc(C)no2)nn1 ZINC001266869525 836414745 /nfs/dbraw/zinc/41/47/45/836414745.db2.gz BMCSBDDRDVFQLC-LLVKDONJSA-N 1 2 333.396 0.968 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H](C)[NH2+][C@H](C)c2nc(CC)no2)nn1 ZINC001266977727 836549882 /nfs/dbraw/zinc/54/98/82/836549882.db2.gz UQTZLPJFOUGWGR-WDEREUQCSA-N 1 2 333.396 0.879 20 30 ECEDLO C[C@@H](CC(=O)N1CCC[C@H](C(=O)NCCNCC#N)C1)n1cc[nH+]c1 ZINC001267002359 836596714 /nfs/dbraw/zinc/59/67/14/836596714.db2.gz JWXZJCZMXADIDN-GJZGRUSLSA-N 1 2 346.435 0.302 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)OC1CCCCCC1 ZINC001267215958 837006170 /nfs/dbraw/zinc/00/61/70/837006170.db2.gz QTBNVYLGKLWBEQ-OAHLLOKOSA-N 1 2 337.464 0.912 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)OC1CCCCCC1 ZINC001267215958 837006183 /nfs/dbraw/zinc/00/61/83/837006183.db2.gz QTBNVYLGKLWBEQ-OAHLLOKOSA-N 1 2 337.464 0.912 20 30 ECEDLO C=CCOCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC001267263511 837096324 /nfs/dbraw/zinc/09/63/24/837096324.db2.gz KFHARGIOOMJSCY-AWEZNQCLSA-N 1 2 345.403 0.306 20 30 ECEDLO C=CCOCC(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC001267263511 837096336 /nfs/dbraw/zinc/09/63/36/837096336.db2.gz KFHARGIOOMJSCY-AWEZNQCLSA-N 1 2 345.403 0.306 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)CCc2cnc[nH]2)C1=O ZINC001267269533 837109374 /nfs/dbraw/zinc/10/93/74/837109374.db2.gz OMORYFZIPGEMAL-CVEARBPZSA-N 1 2 345.447 0.710 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)CCc2cnc[nH]2)C1=O ZINC001267269533 837109378 /nfs/dbraw/zinc/10/93/78/837109378.db2.gz OMORYFZIPGEMAL-CVEARBPZSA-N 1 2 345.447 0.710 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1coc(CC2CC2)n1 ZINC001267279948 837127813 /nfs/dbraw/zinc/12/78/13/837127813.db2.gz ONVRQOUXLQXISY-AWEZNQCLSA-N 1 2 344.415 0.571 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1coc(CC2CC2)n1 ZINC001267279948 837127815 /nfs/dbraw/zinc/12/78/15/837127815.db2.gz ONVRQOUXLQXISY-AWEZNQCLSA-N 1 2 344.415 0.571 20 30 ECEDLO C=CCC[N@@H+]1CC[C@H](CCNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001267584092 837854352 /nfs/dbraw/zinc/85/43/52/837854352.db2.gz UVLNPHFMYVKFRI-ZDUSSCGKSA-N 1 2 344.419 0.476 20 30 ECEDLO C=CCC[N@H+]1CC[C@H](CCNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001267584092 837854365 /nfs/dbraw/zinc/85/43/65/837854365.db2.gz UVLNPHFMYVKFRI-ZDUSSCGKSA-N 1 2 344.419 0.476 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CCN(C)C(=O)C2CC(C)(C)C2)CC1 ZINC001267607265 837949943 /nfs/dbraw/zinc/94/99/43/837949943.db2.gz BPCBKEPCAWOCBW-UHFFFAOYSA-N 1 2 348.491 0.248 20 30 ECEDLO C=CC(C)(C)C(=O)N(C)CC[NH+]1CCN(Cc2cnnn2C)CC1 ZINC001267608965 837964704 /nfs/dbraw/zinc/96/47/04/837964704.db2.gz KBEWMXNILFYXAK-UHFFFAOYSA-N 1 2 334.468 0.603 20 30 ECEDLO CC(C)OCCCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001267615015 837992586 /nfs/dbraw/zinc/99/25/86/837992586.db2.gz YVYDIYKJYUEEEF-QGZVFWFLSA-N 1 2 349.475 0.912 20 30 ECEDLO CC(C)OCCCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001267615015 837992587 /nfs/dbraw/zinc/99/25/87/837992587.db2.gz YVYDIYKJYUEEEF-QGZVFWFLSA-N 1 2 349.475 0.912 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2(c3cccnc3)CC2)C1 ZINC001267617410 838038086 /nfs/dbraw/zinc/03/80/86/838038086.db2.gz HCWNMRXUOOTJBM-MRXNPFEDSA-N 1 2 342.443 0.996 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2(c3cccnc3)CC2)C1 ZINC001267617410 838038098 /nfs/dbraw/zinc/03/80/98/838038098.db2.gz HCWNMRXUOOTJBM-MRXNPFEDSA-N 1 2 342.443 0.996 20 30 ECEDLO C#CCN1CC[NH+](CCN(C)C(=O)c2cnn(CCC)c2C)CC1 ZINC001267617629 838040397 /nfs/dbraw/zinc/04/03/97/838040397.db2.gz FDCJPIJNLIVYGX-UHFFFAOYSA-N 1 2 331.464 0.924 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC001267618014 838046669 /nfs/dbraw/zinc/04/66/69/838046669.db2.gz OASQOWYNLMMVJK-SWLSCSKDSA-N 1 2 345.447 0.460 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC001267618014 838046680 /nfs/dbraw/zinc/04/66/80/838046680.db2.gz OASQOWYNLMMVJK-SWLSCSKDSA-N 1 2 345.447 0.460 20 30 ECEDLO C#CC[NH+]1CCN(CCN(C)C(=O)c2cc(CC)c[nH]c2=O)CC1 ZINC001267619125 838052327 /nfs/dbraw/zinc/05/23/27/838052327.db2.gz YTGXSAQGIYUVGQ-UHFFFAOYSA-N 1 2 330.432 0.672 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)c2cnn(C)c2C)C1 ZINC001267621767 838060865 /nfs/dbraw/zinc/06/08/65/838060865.db2.gz YUZZGBRCKOQMDD-KGLIPLIRSA-N 1 2 333.436 0.613 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2cnn(C)c2C)C1 ZINC001267621767 838060876 /nfs/dbraw/zinc/06/08/76/838060876.db2.gz YUZZGBRCKOQMDD-KGLIPLIRSA-N 1 2 333.436 0.613 20 30 ECEDLO C=CCOCC[NH+]1CC(NC(=O)[C@@H]2CCCN2c2ncccn2)C1 ZINC001267649766 838143009 /nfs/dbraw/zinc/14/30/09/838143009.db2.gz YPWXKOKCNSVDHV-HNNXBMFYSA-N 1 2 331.420 0.448 20 30 ECEDLO C#CCCCCC(=O)NCC1C[NH+]([C@@H](C)C(=O)NC(=O)NCC)C1 ZINC001267678882 838234907 /nfs/dbraw/zinc/23/49/07/838234907.db2.gz HZDJZLMJWFTTSN-ZDUSSCGKSA-N 1 2 336.436 0.462 20 30 ECEDLO CC(C)(C)C#CC(=O)NCC1C[NH+](CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001267679897 838239468 /nfs/dbraw/zinc/23/94/68/838239468.db2.gz DCYUFJKJBHNBMI-AWEZNQCLSA-N 1 2 340.489 0.909 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2cccc3c2OCCO3)C1 ZINC001267681246 838241558 /nfs/dbraw/zinc/24/15/58/838241558.db2.gz AYGCSFLTEUBRHL-UHFFFAOYSA-N 1 2 345.399 0.422 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)COc2ccc(C)cc2)C1 ZINC001267698260 838291922 /nfs/dbraw/zinc/29/19/22/838291922.db2.gz BRPSWBKEFVVIPO-HNNXBMFYSA-N 1 2 343.427 0.560 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2cccc(NC(N)=O)c2)C1 ZINC001267698802 838293360 /nfs/dbraw/zinc/29/33/60/838293360.db2.gz PJVGKKMOWPFEAD-UHFFFAOYSA-N 1 2 345.403 0.141 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001267723622 838378324 /nfs/dbraw/zinc/37/83/24/838378324.db2.gz HIGYFAYCTZOHCM-KBPBESRZSA-N 1 2 331.420 0.408 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001267723622 838378330 /nfs/dbraw/zinc/37/83/30/838378330.db2.gz HIGYFAYCTZOHCM-KBPBESRZSA-N 1 2 331.420 0.408 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2nccc(C)n2)C1 ZINC001267740412 838440232 /nfs/dbraw/zinc/44/02/32/838440232.db2.gz FFYVHEFBMPXOQJ-OAHLLOKOSA-N 1 2 343.431 0.790 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nccc(C)n2)C1 ZINC001267740412 838440235 /nfs/dbraw/zinc/44/02/35/838440235.db2.gz FFYVHEFBMPXOQJ-OAHLLOKOSA-N 1 2 343.431 0.790 20 30 ECEDLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001267741192 838441663 /nfs/dbraw/zinc/44/16/63/838441663.db2.gz MZDGWCSJBUZWNI-CHWSQXEVSA-N 1 2 336.436 0.461 20 30 ECEDLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001267741192 838441667 /nfs/dbraw/zinc/44/16/67/838441667.db2.gz MZDGWCSJBUZWNI-CHWSQXEVSA-N 1 2 336.436 0.461 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccnn2C2CCC2)C1 ZINC001267742026 838444049 /nfs/dbraw/zinc/44/40/49/838444049.db2.gz XLBJGQRJLSNIQJ-ZIAGYGMSSA-N 1 2 343.431 0.550 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccnn2C2CCC2)C1 ZINC001267742026 838444052 /nfs/dbraw/zinc/44/40/52/838444052.db2.gz XLBJGQRJLSNIQJ-ZIAGYGMSSA-N 1 2 343.431 0.550 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001267746429 838452867 /nfs/dbraw/zinc/45/28/67/838452867.db2.gz JRGQJGDFDJLQCI-CHWSQXEVSA-N 1 2 327.375 0.752 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001267746429 838452869 /nfs/dbraw/zinc/45/28/69/838452869.db2.gz JRGQJGDFDJLQCI-CHWSQXEVSA-N 1 2 327.375 0.752 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)nc2C(C)(C)C)C1 ZINC001267751448 838473860 /nfs/dbraw/zinc/47/38/60/838473860.db2.gz ZKZGAPJHYLLZQN-CYBMUJFWSA-N 1 2 347.463 0.824 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)nc2C(C)(C)C)C1 ZINC001267751448 838473864 /nfs/dbraw/zinc/47/38/64/838473864.db2.gz ZKZGAPJHYLLZQN-CYBMUJFWSA-N 1 2 347.463 0.824 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)F)C1 ZINC001267755142 838479254 /nfs/dbraw/zinc/47/92/54/838479254.db2.gz BQMGOBLEKKHSHI-LLVKDONJSA-N 1 2 328.388 0.279 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)F)C1 ZINC001267755142 838479258 /nfs/dbraw/zinc/47/92/58/838479258.db2.gz BQMGOBLEKKHSHI-LLVKDONJSA-N 1 2 328.388 0.279 20 30 ECEDLO CN(C(=O)CCc1ccccn1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267767324 838502985 /nfs/dbraw/zinc/50/29/85/838502985.db2.gz FDHDZNXIYXJQTN-HNNXBMFYSA-N 1 2 329.404 0.187 20 30 ECEDLO CN(C(=O)CCc1ccccn1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267767324 838503012 /nfs/dbraw/zinc/50/30/12/838503012.db2.gz FDHDZNXIYXJQTN-HNNXBMFYSA-N 1 2 329.404 0.187 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)C(F)F)C1 ZINC001267780127 838552686 /nfs/dbraw/zinc/55/26/86/838552686.db2.gz JDAHXXBCDCRHJM-MNOVXSKESA-N 1 2 346.378 0.575 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](N(CC)C(=O)C(F)F)C1 ZINC001267780127 838552690 /nfs/dbraw/zinc/55/26/90/838552690.db2.gz JDAHXXBCDCRHJM-MNOVXSKESA-N 1 2 346.378 0.575 20 30 ECEDLO CCN(C(=O)c1ncc(C)cc1C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267787790 838564932 /nfs/dbraw/zinc/56/49/32/838564932.db2.gz KBMSDGLSMMNPMA-HNNXBMFYSA-N 1 2 343.431 0.875 20 30 ECEDLO CCN(C(=O)c1ncc(C)cc1C)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267787790 838564935 /nfs/dbraw/zinc/56/49/35/838564935.db2.gz KBMSDGLSMMNPMA-HNNXBMFYSA-N 1 2 343.431 0.875 20 30 ECEDLO CCN(C(=O)c1ccc(C)c(C)n1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267787663 838565528 /nfs/dbraw/zinc/56/55/28/838565528.db2.gz HSRSSFPOYKMGAY-OAHLLOKOSA-N 1 2 343.431 0.875 20 30 ECEDLO CCN(C(=O)c1ccc(C)c(C)n1)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267787663 838565534 /nfs/dbraw/zinc/56/55/34/838565534.db2.gz HSRSSFPOYKMGAY-OAHLLOKOSA-N 1 2 343.431 0.875 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)c2c[nH]nc2C2CC2)C1 ZINC001267789838 838570695 /nfs/dbraw/zinc/57/06/95/838570695.db2.gz JFNOZZQNVJJDNT-AWEZNQCLSA-N 1 2 343.431 0.573 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)c2c[nH]nc2C2CC2)C1 ZINC001267789838 838570703 /nfs/dbraw/zinc/57/07/03/838570703.db2.gz JFNOZZQNVJJDNT-AWEZNQCLSA-N 1 2 343.431 0.573 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@](C)(C[NH2+]Cc2nnn(C)n2)C2CC2)cc1 ZINC001267858404 838655944 /nfs/dbraw/zinc/65/59/44/838655944.db2.gz AQIDIGWGLBTNLS-SFHVURJKSA-N 1 2 338.415 0.880 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C)no1 ZINC001267965641 838881594 /nfs/dbraw/zinc/88/15/94/838881594.db2.gz OHBUUCRAFWZRCF-HUUCEWRRSA-N 1 2 349.435 0.930 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)c1ccccc1O)CC2 ZINC001268042747 839188486 /nfs/dbraw/zinc/18/84/86/839188486.db2.gz UPIWHRZZTFFQDG-UHFFFAOYSA-N 1 2 341.411 0.680 20 30 ECEDLO CC[C@H]1C[N@H+](CCNC(=O)CNC(=O)c2ccc(C#N)cc2)CCO1 ZINC000428068953 210242023 /nfs/dbraw/zinc/24/20/23/210242023.db2.gz DMMSCPVRZVCKCM-INIZCTEOSA-N 1 2 344.415 0.515 20 30 ECEDLO CC[C@H]1C[N@@H+](CCNC(=O)CNC(=O)c2ccc(C#N)cc2)CCO1 ZINC000428068953 210242026 /nfs/dbraw/zinc/24/20/26/210242026.db2.gz DMMSCPVRZVCKCM-INIZCTEOSA-N 1 2 344.415 0.515 20 30 ECEDLO N#Cc1c(F)cccc1C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000427456573 210200700 /nfs/dbraw/zinc/20/07/00/210200700.db2.gz PXLSSZWEBBKVNN-UHFFFAOYSA-N 1 2 328.351 0.747 20 30 ECEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000101728821 219160274 /nfs/dbraw/zinc/16/02/74/219160274.db2.gz AUMHUHKCEJJUHX-INIZCTEOSA-N 1 2 328.416 0.975 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)nc1 ZINC000425550863 210071652 /nfs/dbraw/zinc/07/16/52/210071652.db2.gz PLNXWPDKGYFGRG-GFCCVEGCSA-N 1 2 332.389 0.335 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](c3nnc[nH]3)C2)nc1 ZINC000425550863 210071653 /nfs/dbraw/zinc/07/16/53/210071653.db2.gz PLNXWPDKGYFGRG-GFCCVEGCSA-N 1 2 332.389 0.335 20 30 ECEDLO CC(C)[C@@H]1C[N@H+](C)CCN1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000425477629 210061845 /nfs/dbraw/zinc/06/18/45/210061845.db2.gz LYRGKTVEOWVGOW-HNNXBMFYSA-N 1 2 336.461 0.999 20 30 ECEDLO CC(C)[C@@H]1C[N@@H+](C)CCN1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000425477629 210061851 /nfs/dbraw/zinc/06/18/51/210061851.db2.gz LYRGKTVEOWVGOW-HNNXBMFYSA-N 1 2 336.461 0.999 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@H]1C ZINC000246084626 243189594 /nfs/dbraw/zinc/18/95/94/243189594.db2.gz IBVGRGIFBRINOF-NEPJUHHUSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@H]1C ZINC000246084626 243189602 /nfs/dbraw/zinc/18/96/02/243189602.db2.gz IBVGRGIFBRINOF-NEPJUHHUSA-N 1 2 341.408 0.773 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2Cc3ccccc3O2)CC1 ZINC000264168007 246132974 /nfs/dbraw/zinc/13/29/74/246132974.db2.gz LEUPEEROWAUAAU-QGZVFWFLSA-N 1 2 341.411 0.274 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2Cc3ccccc3O2)CC1 ZINC000264168007 246132983 /nfs/dbraw/zinc/13/29/83/246132983.db2.gz LEUPEEROWAUAAU-QGZVFWFLSA-N 1 2 341.411 0.274 20 30 ECEDLO Cc1cc(C#N)cc(NC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)c1 ZINC000455953509 211634120 /nfs/dbraw/zinc/63/41/20/211634120.db2.gz KNKSIAHXILJSJL-OAHLLOKOSA-N 1 2 345.403 0.517 20 30 ECEDLO Cc1cc(C#N)cc(NC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)c1 ZINC000455953509 211634124 /nfs/dbraw/zinc/63/41/24/211634124.db2.gz KNKSIAHXILJSJL-OAHLLOKOSA-N 1 2 345.403 0.517 20 30 ECEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000267634827 251210894 /nfs/dbraw/zinc/21/08/94/251210894.db2.gz GHHZDZKCJSLSPV-HOCLYGCPSA-N 1 2 347.415 0.477 20 30 ECEDLO CC#CCN(C)C(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000293435022 254581168 /nfs/dbraw/zinc/58/11/68/254581168.db2.gz LWLRIYBHNIQKCG-UHFFFAOYSA-N 1 2 329.400 0.939 20 30 ECEDLO CC(C)(CNC(=O)CN1CCN(C2CC2)C(=O)C1)[NH+]1CCOCC1 ZINC000328656060 254590140 /nfs/dbraw/zinc/59/01/40/254590140.db2.gz NJCJUQKWTFHSMV-UHFFFAOYSA-N 1 2 338.452 0.360 20 30 ECEDLO N#C[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CCO1 ZINC000332458083 254656029 /nfs/dbraw/zinc/65/60/29/254656029.db2.gz ICBNKPXVEYNJBO-HNNXBMFYSA-N 1 2 334.445 0.617 20 30 ECEDLO C=CCNC(=O)CN1CC[N@H+](CC(=O)NCC=C)[C@@H]2CCCC[C@H]21 ZINC000339734401 254674592 /nfs/dbraw/zinc/67/45/92/254674592.db2.gz SWSDMXWACWOCPG-HZPDHXFCSA-N 1 2 334.464 0.520 20 30 ECEDLO C=CCNC(=O)CN1CC[N@@H+](CC(=O)NCC=C)[C@@H]2CCCC[C@H]21 ZINC000339734401 254674594 /nfs/dbraw/zinc/67/45/94/254674594.db2.gz SWSDMXWACWOCPG-HZPDHXFCSA-N 1 2 334.464 0.520 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)CC(C)(C)C#N)CC2)o1 ZINC000433294828 254794065 /nfs/dbraw/zinc/79/40/65/254794065.db2.gz BAEHHJYJEDFFNH-UHFFFAOYSA-N 1 2 344.419 0.985 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)CC(C)(C)C#N)CC2)o1 ZINC000433294828 254794066 /nfs/dbraw/zinc/79/40/66/254794066.db2.gz BAEHHJYJEDFFNH-UHFFFAOYSA-N 1 2 344.419 0.985 20 30 ECEDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)C(=O)NCc1ccco1 ZINC000115598539 220879324 /nfs/dbraw/zinc/87/93/24/220879324.db2.gz JRRVTLLWYCFFGU-NHYWBVRUSA-N 1 2 326.356 0.972 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(C(F)(F)F)n2)C1 ZINC001077947801 781991676 /nfs/dbraw/zinc/99/16/76/781991676.db2.gz XSUKHDYNVPUUMX-PSASIEDQSA-N 1 2 333.335 0.960 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2csc(C(F)(F)F)n2)C1 ZINC001077947801 781991683 /nfs/dbraw/zinc/99/16/83/781991683.db2.gz XSUKHDYNVPUUMX-PSASIEDQSA-N 1 2 333.335 0.960 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@H]1C ZINC000122427230 222085426 /nfs/dbraw/zinc/08/54/26/222085426.db2.gz IBVGRGIFBRINOF-VXGBXAGGSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@H]1C ZINC000122427230 222085429 /nfs/dbraw/zinc/08/54/29/222085429.db2.gz IBVGRGIFBRINOF-VXGBXAGGSA-N 1 2 341.408 0.773 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(-n3cnc(N)n3)cc2)CC1 ZINC000491474347 420610204 /nfs/dbraw/zinc/61/02/04/420610204.db2.gz LYAXGPSTRWKGGH-UHFFFAOYSA-N 1 2 340.387 0.006 20 30 ECEDLO C[C@@H](C(=O)N1CCN(c2ncccc2C#N)CC1)[NH+]1CCOCC1 ZINC000332569202 269822086 /nfs/dbraw/zinc/82/20/86/269822086.db2.gz YJQOAEFREDDYAK-AWEZNQCLSA-N 1 2 329.404 0.323 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284530330 264224437 /nfs/dbraw/zinc/22/44/37/264224437.db2.gz OZVBDYAYHKIHKB-HUUCEWRRSA-N 1 2 345.399 0.877 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284530330 264224440 /nfs/dbraw/zinc/22/44/40/264224440.db2.gz OZVBDYAYHKIHKB-HUUCEWRRSA-N 1 2 345.399 0.877 20 30 ECEDLO N#Cc1ccc(CS(=O)(=O)CC(=O)NCCn2cc[nH+]c2)cc1 ZINC000340049003 270005857 /nfs/dbraw/zinc/00/58/57/270005857.db2.gz LPMUFTHZBSJASC-UHFFFAOYSA-N 1 2 332.385 0.486 20 30 ECEDLO CCOC(=O)c1ccc(C#N)c(SCC(=O)N2CC[NH+](C)CC2)n1 ZINC000340666155 270006117 /nfs/dbraw/zinc/00/61/17/270006117.db2.gz MKVABPRRDNSMMN-UHFFFAOYSA-N 1 2 348.428 0.996 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)c2ccc(C#N)nc2)C1=O ZINC000341122531 270006151 /nfs/dbraw/zinc/00/61/51/270006151.db2.gz OYIMAMNMHXVJSO-AWEZNQCLSA-N 1 2 338.371 0.608 20 30 ECEDLO CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000366441962 266057921 /nfs/dbraw/zinc/05/79/21/266057921.db2.gz PNARCAQCXODETQ-CYBMUJFWSA-N 1 2 331.376 0.642 20 30 ECEDLO CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000366441962 266057923 /nfs/dbraw/zinc/05/79/23/266057923.db2.gz PNARCAQCXODETQ-CYBMUJFWSA-N 1 2 331.376 0.642 20 30 ECEDLO C[C@@H]1C[NH+](CCCNS(=O)(=O)c2cncc(C#N)c2)C[C@@H](C)O1 ZINC000352332822 267051569 /nfs/dbraw/zinc/05/15/69/267051569.db2.gz IOGVQRVANYDNDF-CHWSQXEVSA-N 1 2 338.433 0.731 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000343319281 267067053 /nfs/dbraw/zinc/06/70/53/267067053.db2.gz ZHLGZRSJDXOOCH-OAGGEKHMSA-N 1 2 342.447 0.722 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000343319281 267067056 /nfs/dbraw/zinc/06/70/56/267067056.db2.gz ZHLGZRSJDXOOCH-OAGGEKHMSA-N 1 2 342.447 0.722 20 30 ECEDLO C[C@@H]1OCC[C@@H]1[N@H+](CCO)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000361575504 267098993 /nfs/dbraw/zinc/09/89/93/267098993.db2.gz BVCBHADZJOFTTQ-BBRMVZONSA-N 1 2 338.429 0.804 20 30 ECEDLO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000361575504 267098995 /nfs/dbraw/zinc/09/89/95/267098995.db2.gz BVCBHADZJOFTTQ-BBRMVZONSA-N 1 2 338.429 0.804 20 30 ECEDLO C[C@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000360400306 267122875 /nfs/dbraw/zinc/12/28/75/267122875.db2.gz OSBGKIPRDPUIJU-WMLDXEAASA-N 1 2 331.416 0.813 20 30 ECEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000330664182 267137955 /nfs/dbraw/zinc/13/79/55/267137955.db2.gz YCKJBJYRSRSAJZ-RISCZKNCSA-N 1 2 336.417 0.638 20 30 ECEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000330664182 267137957 /nfs/dbraw/zinc/13/79/57/267137957.db2.gz YCKJBJYRSRSAJZ-RISCZKNCSA-N 1 2 336.417 0.638 20 30 ECEDLO C[C@H]([C@H](C)NC(=O)C(=O)NCc1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000284080353 267207144 /nfs/dbraw/zinc/20/71/44/267207144.db2.gz RZNNSDBPUBAGHZ-UONOGXRCSA-N 1 2 344.415 0.400 20 30 ECEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](S(N)(=O)=O)C3)o2)cc1 ZINC000359517013 268029379 /nfs/dbraw/zinc/02/93/79/268029379.db2.gz TUULHHVNTJTOLL-CYBMUJFWSA-N 1 2 347.400 0.861 20 30 ECEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](S(N)(=O)=O)C3)o2)cc1 ZINC000359517013 268029382 /nfs/dbraw/zinc/02/93/82/268029382.db2.gz TUULHHVNTJTOLL-CYBMUJFWSA-N 1 2 347.400 0.861 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](OCCO)C2)nc1 ZINC000343680379 268187916 /nfs/dbraw/zinc/18/79/16/268187916.db2.gz FJZSWKAANQEGEM-CQSZACIVSA-N 1 2 339.417 0.200 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](OCCO)C2)nc1 ZINC000343680379 268187919 /nfs/dbraw/zinc/18/79/19/268187919.db2.gz FJZSWKAANQEGEM-CQSZACIVSA-N 1 2 339.417 0.200 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](n3cccn3)C2)nc1 ZINC000291771357 268188504 /nfs/dbraw/zinc/18/85/04/268188504.db2.gz LSPZZIZRSYDLPZ-AWEZNQCLSA-N 1 2 331.401 0.870 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](n3cccn3)C2)nc1 ZINC000291771357 268188507 /nfs/dbraw/zinc/18/85/07/268188507.db2.gz LSPZZIZRSYDLPZ-AWEZNQCLSA-N 1 2 331.401 0.870 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C3CCOCC3)CC2)o1 ZINC000288199043 268193466 /nfs/dbraw/zinc/19/34/66/268193466.db2.gz QDIUYIFAAXMAQJ-UHFFFAOYSA-N 1 2 325.390 0.637 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)o1 ZINC000376359365 268203509 /nfs/dbraw/zinc/20/35/09/268203509.db2.gz NFPLPQWRMGVSKQ-AAEUAGOBSA-N 1 2 325.390 0.683 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)o1 ZINC000376359365 268203512 /nfs/dbraw/zinc/20/35/12/268203512.db2.gz NFPLPQWRMGVSKQ-AAEUAGOBSA-N 1 2 325.390 0.683 20 30 ECEDLO N#Cc1cccc(C2(C(=O)NC[C@@H](O)C[NH+]3CCOCC3)CC2)c1 ZINC000340076416 268239402 /nfs/dbraw/zinc/23/94/02/268239402.db2.gz XVUCUKRZAVQVBV-MRXNPFEDSA-N 1 2 329.400 0.399 20 30 ECEDLO N#Cc1cccc(CCNS(=O)(=O)CCC[NH+]2CCOCC2)c1 ZINC000355528059 268244072 /nfs/dbraw/zinc/24/40/72/268244072.db2.gz YQPLJJLWAOZEBV-UHFFFAOYSA-N 1 2 337.445 0.742 20 30 ECEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000363248896 268284816 /nfs/dbraw/zinc/28/48/16/268284816.db2.gz ORDWQFDOGWGUSN-HUUCEWRRSA-N 1 2 335.429 0.778 20 30 ECEDLO N#Cc1ncccc1S(=O)(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000277206180 268329527 /nfs/dbraw/zinc/32/95/27/268329527.db2.gz QDWNACVNCBMEPH-CYBMUJFWSA-N 1 2 336.417 0.296 20 30 ECEDLO CC(C)(C(N)=O)N1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528396195 269582738 /nfs/dbraw/zinc/58/27/38/269582738.db2.gz ODCZBRYYKSBHNW-OAHLLOKOSA-N 1 2 346.431 0.179 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528396195 269582740 /nfs/dbraw/zinc/58/27/40/269582740.db2.gz ODCZBRYYKSBHNW-OAHLLOKOSA-N 1 2 346.431 0.179 20 30 ECEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000132873717 276089311 /nfs/dbraw/zinc/08/93/11/276089311.db2.gz BPXPKSKJHXSGRT-UHFFFAOYSA-N 1 2 331.420 0.903 20 30 ECEDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000132873717 276089312 /nfs/dbraw/zinc/08/93/12/276089312.db2.gz BPXPKSKJHXSGRT-UHFFFAOYSA-N 1 2 331.420 0.903 20 30 ECEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000189403896 437596456 /nfs/dbraw/zinc/59/64/56/437596456.db2.gz RDUHGLCJRHLPGW-ZDUSSCGKSA-N 1 2 330.388 0.330 20 30 ECEDLO Cc1nc2n(n1)C[C@@H](NC(=O)N1CC[C@@H]([NH+]3CCOCC3)[C@H]1C)CC2 ZINC000329634717 279139348 /nfs/dbraw/zinc/13/93/48/279139348.db2.gz XHKKITKFBJDWHJ-VHDGCEQUSA-N 1 2 348.451 0.610 20 30 ECEDLO CCN1CCN(C(=O)NCCCC(=O)N(C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000331017517 279336557 /nfs/dbraw/zinc/33/65/57/279336557.db2.gz HUSQSHRMMWHUMM-CYBMUJFWSA-N 1 2 336.440 0.871 20 30 ECEDLO CC(C)N1CCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1=O ZINC000329518480 279506854 /nfs/dbraw/zinc/50/68/54/279506854.db2.gz PRIQUDLDCSGHBM-UONOGXRCSA-N 1 2 326.441 0.562 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000452104622 288177856 /nfs/dbraw/zinc/17/78/56/288177856.db2.gz MDTFLEITFXIALQ-LLVKDONJSA-N 1 2 327.381 0.384 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000452104622 288177859 /nfs/dbraw/zinc/17/78/59/288177859.db2.gz MDTFLEITFXIALQ-LLVKDONJSA-N 1 2 327.381 0.384 20 30 ECEDLO C[C@H](C[S@](C)=O)NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000330809528 437620120 /nfs/dbraw/zinc/62/01/20/437620120.db2.gz BEBJELYVAUJCQF-BWFKNJDFSA-N 1 2 349.522 0.465 20 30 ECEDLO C=C(C)C[N@@H+](CC)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000072801671 436057451 /nfs/dbraw/zinc/05/74/51/436057451.db2.gz XBFREANHCAKWNC-OAHLLOKOSA-N 1 2 343.493 0.216 20 30 ECEDLO C=C(C)C[N@H+](CC)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000072801671 436057456 /nfs/dbraw/zinc/05/74/56/436057456.db2.gz XBFREANHCAKWNC-OAHLLOKOSA-N 1 2 343.493 0.216 20 30 ECEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 ZINC000016440103 436091747 /nfs/dbraw/zinc/09/17/47/436091747.db2.gz RSWTVGRIOIHGSV-UHFFFAOYSA-N 1 2 342.399 0.061 20 30 ECEDLO CN(CCC#N)S(=O)(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000027957428 436184143 /nfs/dbraw/zinc/18/41/43/436184143.db2.gz MQTNLMBYLHTOBK-UHFFFAOYSA-N 1 2 328.463 0.956 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000078334415 436265242 /nfs/dbraw/zinc/26/52/42/436265242.db2.gz UMOPWOMWJGBICL-YOEHRIQHSA-N 1 2 337.468 0.135 20 30 ECEDLO CN1C[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1=O ZINC000046148798 436387014 /nfs/dbraw/zinc/38/70/14/436387014.db2.gz FLDCPGYPQDUXJZ-INIZCTEOSA-N 1 2 326.400 0.681 20 30 ECEDLO CCN(CCC#N)C(=O)CN1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000088595072 436401749 /nfs/dbraw/zinc/40/17/49/436401749.db2.gz BQIQGFVEDSDOCM-MRXNPFEDSA-N 1 2 349.479 0.377 20 30 ECEDLO CC(C)(CNC(=O)C(=O)Nc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000048757710 436459458 /nfs/dbraw/zinc/45/94/58/436459458.db2.gz UFQZVAMTHXKKGG-UHFFFAOYSA-N 1 2 330.388 0.724 20 30 ECEDLO C#CCCOc1ccc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC000091866518 436461824 /nfs/dbraw/zinc/46/18/24/436461824.db2.gz NOKZEQUYJVADHA-HNNXBMFYSA-N 1 2 327.384 0.231 20 30 ECEDLO C#CCCOc1ccc(C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC000091866518 436461827 /nfs/dbraw/zinc/46/18/27/436461827.db2.gz NOKZEQUYJVADHA-HNNXBMFYSA-N 1 2 327.384 0.231 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cnc3c(c2)c(C)nn3C)CC1 ZINC000101574854 436548394 /nfs/dbraw/zinc/54/83/94/436548394.db2.gz CVFAEYCRERIHLS-UHFFFAOYSA-N 1 2 347.444 0.606 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000054671076 436556338 /nfs/dbraw/zinc/55/63/38/436556338.db2.gz IOPWDWKIXJTUGZ-INIZCTEOSA-N 1 2 344.459 0.611 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000105930748 436589234 /nfs/dbraw/zinc/58/92/34/436589234.db2.gz CCKCQQVIWVMQRS-YJBOKZPZSA-N 1 2 346.479 0.981 20 30 ECEDLO N#C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCO1 ZINC000106328174 436591787 /nfs/dbraw/zinc/59/17/87/436591787.db2.gz UGCIVUKFCCBXDR-IAGOWNOFSA-N 1 2 344.415 0.821 20 30 ECEDLO N#C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCO1 ZINC000106328174 436591790 /nfs/dbraw/zinc/59/17/90/436591790.db2.gz UGCIVUKFCCBXDR-IAGOWNOFSA-N 1 2 344.415 0.821 20 30 ECEDLO N#Cc1cnc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)cn1 ZINC000106463226 436597424 /nfs/dbraw/zinc/59/74/24/436597424.db2.gz MWQSIINPZQDSCC-UHFFFAOYSA-N 1 2 328.420 0.873 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000112913933 436634553 /nfs/dbraw/zinc/63/45/53/436634553.db2.gz ABJQALCSFTYJNA-SFHVURJKSA-N 1 2 334.508 0.720 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2cccc(O)c2)CC1 ZINC000113433394 436638068 /nfs/dbraw/zinc/63/80/68/436638068.db2.gz STOHRXXPCDVWCD-UHFFFAOYSA-N 1 2 329.400 0.218 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2cccc(O)c2)CC1 ZINC000113433394 436638069 /nfs/dbraw/zinc/63/80/69/436638069.db2.gz STOHRXXPCDVWCD-UHFFFAOYSA-N 1 2 329.400 0.218 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nnnn1-c1ccccc1 ZINC000115604669 436647519 /nfs/dbraw/zinc/64/75/19/436647519.db2.gz KMONFOZQOPLEOA-NWDGAFQWSA-N 1 2 343.391 0.713 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CN3CN=NC3=O)CC2)cc1 ZINC000548690871 302321028 /nfs/dbraw/zinc/32/10/28/302321028.db2.gz OUCGLUDOCYXWHA-UHFFFAOYSA-N 1 2 326.360 0.200 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000066869833 436698590 /nfs/dbraw/zinc/69/85/90/436698590.db2.gz OHNYIWKNGXPPBA-UHFFFAOYSA-N 1 2 337.811 0.869 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000120759909 436698682 /nfs/dbraw/zinc/69/86/82/436698682.db2.gz RSIYIBRSOKTDNX-CQSZACIVSA-N 1 2 327.450 0.343 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000120759909 436698684 /nfs/dbraw/zinc/69/86/84/436698684.db2.gz RSIYIBRSOKTDNX-CQSZACIVSA-N 1 2 327.450 0.343 20 30 ECEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)CCCCC1 ZINC000139068957 436663198 /nfs/dbraw/zinc/66/31/98/436663198.db2.gz BMWAWZJXQONUOM-CQSZACIVSA-N 1 2 333.436 0.819 20 30 ECEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)CCCCC1 ZINC000139068957 436663200 /nfs/dbraw/zinc/66/32/00/436663200.db2.gz BMWAWZJXQONUOM-CQSZACIVSA-N 1 2 333.436 0.819 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)c2scnc2C)CC1 ZINC000141902953 436671662 /nfs/dbraw/zinc/67/16/62/436671662.db2.gz GZPBEYALTNFABX-ZDUSSCGKSA-N 1 2 334.445 0.737 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)c2scnc2C)CC1 ZINC000141902953 436671664 /nfs/dbraw/zinc/67/16/64/436671664.db2.gz GZPBEYALTNFABX-ZDUSSCGKSA-N 1 2 334.445 0.737 20 30 ECEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000194844285 436672491 /nfs/dbraw/zinc/67/24/91/436672491.db2.gz MFFKYIQTHXCWCK-CQSZACIVSA-N 1 2 340.427 0.912 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cc(C(=O)OC)co2)CC1 ZINC000152153531 436721693 /nfs/dbraw/zinc/72/16/93/436721693.db2.gz OEOBFRABDKMHQV-UHFFFAOYSA-N 1 2 326.374 0.396 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2nc(C)cc(C)n2)CC1 ZINC000272925153 436728732 /nfs/dbraw/zinc/72/87/32/436728732.db2.gz GHSZUVHCNCDEOG-CQSZACIVSA-N 1 2 346.435 0.616 20 30 ECEDLO Cn1c(NCc2ccnc(-n3cc[nH+]c3)c2)c(C#N)c(=O)n(C)c1=O ZINC000068320638 436741425 /nfs/dbraw/zinc/74/14/25/436741425.db2.gz PVYSXDQOPPRXST-UHFFFAOYSA-N 1 2 337.343 0.148 20 30 ECEDLO C=C[C@H](C)NC(=O)N1CC[NH+]([C@@H](C)C(=O)NCCCOC)CC1 ZINC000128214895 436812348 /nfs/dbraw/zinc/81/23/48/436812348.db2.gz SSVAVWJPJZZDCZ-KBPBESRZSA-N 1 2 326.441 0.429 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000249324165 436819248 /nfs/dbraw/zinc/81/92/48/436819248.db2.gz MOJATCSTDGEIBR-IXDOHACOSA-N 1 2 348.491 0.246 20 30 ECEDLO C=CCOc1cc(OC)ccc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000129746286 436830339 /nfs/dbraw/zinc/83/03/39/436830339.db2.gz FBBJRTUCMOLATF-AWEZNQCLSA-N 1 2 331.416 0.990 20 30 ECEDLO C=CC[N@@H+](C)CC(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O ZINC000275063917 436917108 /nfs/dbraw/zinc/91/71/08/436917108.db2.gz RJWRPFXANWCRBH-KRWDZBQOSA-N 1 2 346.387 0.611 20 30 ECEDLO C=CC[N@H+](C)CC(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O ZINC000275063917 436917111 /nfs/dbraw/zinc/91/71/11/436917111.db2.gz RJWRPFXANWCRBH-KRWDZBQOSA-N 1 2 346.387 0.611 20 30 ECEDLO Cc1nc(C#N)c(C#N)n1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000135474437 436917115 /nfs/dbraw/zinc/91/71/15/436917115.db2.gz AMXFSYKQKKYNLL-UHFFFAOYSA-N 1 2 330.392 0.162 20 30 ECEDLO C=CC[N@@H+](C)CC(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O ZINC000275063919 436917696 /nfs/dbraw/zinc/91/76/96/436917696.db2.gz RJWRPFXANWCRBH-QGZVFWFLSA-N 1 2 346.387 0.611 20 30 ECEDLO C=CC[N@H+](C)CC(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O ZINC000275063919 436917697 /nfs/dbraw/zinc/91/76/97/436917697.db2.gz RJWRPFXANWCRBH-QGZVFWFLSA-N 1 2 346.387 0.611 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ncccc2F)CC1 ZINC000280785459 436921442 /nfs/dbraw/zinc/92/14/42/436921442.db2.gz FFWUQENLYWZTJC-UHFFFAOYSA-N 1 2 332.379 0.047 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ncccc2F)CC1 ZINC000280785459 436921446 /nfs/dbraw/zinc/92/14/46/436921446.db2.gz FFWUQENLYWZTJC-UHFFFAOYSA-N 1 2 332.379 0.047 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCn1cc[nH+]c1 ZINC000133434116 436879387 /nfs/dbraw/zinc/87/93/87/436879387.db2.gz LHIUVXCYYSKCOE-GFCCVEGCSA-N 1 2 347.400 0.238 20 30 ECEDLO CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(C#N)c1 ZINC000170846794 436957815 /nfs/dbraw/zinc/95/78/15/436957815.db2.gz XZAWISQTCFFABY-UHFFFAOYSA-N 1 2 330.388 0.724 20 30 ECEDLO CC1(C)COCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(C#N)c1 ZINC000170846794 436957819 /nfs/dbraw/zinc/95/78/19/436957819.db2.gz XZAWISQTCFFABY-UHFFFAOYSA-N 1 2 330.388 0.724 20 30 ECEDLO Cn1nccc1COCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000283929199 437032257 /nfs/dbraw/zinc/03/22/57/437032257.db2.gz 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437051214 /nfs/dbraw/zinc/05/12/14/437051214.db2.gz AKWWHMHABPVZFV-AWEZNQCLSA-N 1 2 328.409 0.301 20 30 ECEDLO Cc1nn(CCS(C)(=O)=O)c(C)c1CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000284418362 437053472 /nfs/dbraw/zinc/05/34/72/437053472.db2.gz NZVASQFHGFRHBH-ZDUSSCGKSA-N 1 2 344.437 0.512 20 30 ECEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)CCCCC1 ZINC000284328241 437054241 /nfs/dbraw/zinc/05/42/41/437054241.db2.gz QGAQVSLIPFUJPR-GFCCVEGCSA-N 1 2 333.392 0.885 20 30 ECEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)CCCCC1 ZINC000284328241 437054244 /nfs/dbraw/zinc/05/42/44/437054244.db2.gz QGAQVSLIPFUJPR-GFCCVEGCSA-N 1 2 333.392 0.885 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000284518658 437055935 /nfs/dbraw/zinc/05/59/35/437055935.db2.gz JYUHXKWXCYWQTI-ZBFHGGJFSA-N 1 2 346.431 0.861 20 30 ECEDLO CN1C(=O)N[C@@H]2C[N@@H+](CC(=O)NCc3ccc(C#N)cc3)CC[C@@H]21 ZINC000285581070 437079137 /nfs/dbraw/zinc/07/91/37/437079137.db2.gz BKVBOPOZZNKBRM-CABCVRRESA-N 1 2 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/nfs/dbraw/zinc/24/32/32/437243232.db2.gz FVOLWSSKCDWLOO-NWDGAFQWSA-N 1 2 341.437 0.346 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(O)ccc2Cl)CC1 ZINC000277780312 437253024 /nfs/dbraw/zinc/25/30/24/437253024.db2.gz UFZGHTFYESACGT-UHFFFAOYSA-N 1 2 349.818 0.943 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(O)ccc2Cl)CC1 ZINC000277780312 437253028 /nfs/dbraw/zinc/25/30/28/437253028.db2.gz UFZGHTFYESACGT-UHFFFAOYSA-N 1 2 349.818 0.943 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCC(c2nc(C(=O)OCC)n[nH]2)CC1 ZINC000277839446 437257685 /nfs/dbraw/zinc/25/76/85/437257685.db2.gz SCLACKJHPHVUTD-LLVKDONJSA-N 1 2 333.392 0.299 20 30 ECEDLO C[C@H]1CCN(C(=O)NCCn2cnc(C#N)n2)C[C@@H]1n1cc[nH+]c1 ZINC000287970720 437260388 /nfs/dbraw/zinc/26/03/88/437260388.db2.gz VQXLWESQTAZHLR-STQMWFEESA-N 1 2 328.380 0.639 20 30 ECEDLO C[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000328763021 437260633 /nfs/dbraw/zinc/26/06/33/437260633.db2.gz ZDZAUPLPOUDDIH-SYQHCUMBSA-N 1 2 337.420 0.837 20 30 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CC(C)C[C@@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)[NH+]1CCOCC1 ZINC000336923459 437312057 /nfs/dbraw/zinc/31/20/57/437312057.db2.gz USJYLFFSZRJHEM-CABCVRRESA-N 1 2 346.497 0.659 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCOC[C@@H]2C2CC2)CC1 ZINC000181140243 437312253 /nfs/dbraw/zinc/31/22/53/437312253.db2.gz KOOWRXKMFKTQIP-DLBZAZTESA-N 1 2 334.464 0.790 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCOC[C@@H]2C2CC2)CC1 ZINC000181140243 437312256 /nfs/dbraw/zinc/31/22/56/437312256.db2.gz KOOWRXKMFKTQIP-DLBZAZTESA-N 1 2 334.464 0.790 20 30 ECEDLO C=CCNC(=O)CNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000181176206 437312806 /nfs/dbraw/zinc/31/28/06/437312806.db2.gz VVLBVAFVVGVGBB-AWEZNQCLSA-N 1 2 331.420 0.772 20 30 ECEDLO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(Cc3cscn3)CC2)C1 ZINC000329080648 437315784 /nfs/dbraw/zinc/31/57/84/437315784.db2.gz CSROBAZIMNROAY-AWEZNQCLSA-N 1 2 339.465 0.505 20 30 ECEDLO C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(Cc3cscn3)CC2)C1 ZINC000329080648 437315785 /nfs/dbraw/zinc/31/57/85/437315785.db2.gz CSROBAZIMNROAY-AWEZNQCLSA-N 1 2 339.465 0.505 20 30 ECEDLO N#Cc1nc(NCCC[N@@H+]2CCNC(=O)C2)ccc1C(F)(F)F ZINC000337031244 437323007 /nfs/dbraw/zinc/32/30/07/437323007.db2.gz YPMXBQUZEYJCPW-UHFFFAOYSA-N 1 2 327.310 1.206 20 30 ECEDLO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000329261975 437342526 /nfs/dbraw/zinc/34/25/26/437342526.db2.gz DDNUYCHCUIQCTB-JURCDPSOSA-N 1 2 339.436 0.281 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329284480 437346185 /nfs/dbraw/zinc/34/61/85/437346185.db2.gz OMVHYBRFGPEBFL-RBSFLKMASA-N 1 2 327.425 0.501 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)CC1 ZINC000329341147 437355090 /nfs/dbraw/zinc/35/50/90/437355090.db2.gz ZQCYEPLHRXWJRY-YESZJQIVSA-N 1 2 334.464 0.932 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCO[C@@H]3CCC[C@@H]32)CC1 ZINC000329341147 437355094 /nfs/dbraw/zinc/35/50/94/437355094.db2.gz ZQCYEPLHRXWJRY-YESZJQIVSA-N 1 2 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/nfs/dbraw/zinc/40/56/08/437405608.db2.gz ZBQQMDRXDCTJCT-UHFFFAOYSA-N 1 2 325.390 0.236 20 30 ECEDLO C#CC[N@H+](CC)CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC ZINC000268372744 437405613 /nfs/dbraw/zinc/40/56/13/437405613.db2.gz ZBQQMDRXDCTJCT-UHFFFAOYSA-N 1 2 325.390 0.236 20 30 ECEDLO COCC[N@@H+]1CC[C@@H](NC(=O)N2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000329776563 437411266 /nfs/dbraw/zinc/41/12/66/437411266.db2.gz OFOOGUFLADFPSD-GFCCVEGCSA-N 1 2 333.454 0.130 20 30 ECEDLO COCC[N@H+]1CC[C@@H](NC(=O)N2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000329776563 437411269 /nfs/dbraw/zinc/41/12/69/437411269.db2.gz OFOOGUFLADFPSD-GFCCVEGCSA-N 1 2 333.454 0.130 20 30 ECEDLO Cn1cc(N2CCC[C@@H](NC(=O)NC[C@@H]3CN(C)CC[N@@H+]3C)C2)cn1 ZINC000329810495 437415981 /nfs/dbraw/zinc/41/59/81/437415981.db2.gz QSIPHZSBTPIQMH-HUUCEWRRSA-N 1 2 349.483 0.138 20 30 ECEDLO Cn1cc(N2CCC[C@@H](NC(=O)NC[C@@H]3CN(C)CC[N@H+]3C)C2)cn1 ZINC000329810495 437415987 /nfs/dbraw/zinc/41/59/87/437415987.db2.gz QSIPHZSBTPIQMH-HUUCEWRRSA-N 1 2 349.483 0.138 20 30 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/nfs/dbraw/zinc/54/99/79/437549979.db2.gz FBCVAVDSGDQVBO-MJBXVCDLSA-N 1 2 325.409 0.455 20 30 ECEDLO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000330567400 437554645 /nfs/dbraw/zinc/55/46/45/437554645.db2.gz LNOQUEQLJAJSOF-SYQHCUMBSA-N 1 2 326.441 0.514 20 30 ECEDLO Cc1nc(N2CCN(C(=O)C(=O)NCCCCC#N)CC2)cc[nH+]1 ZINC000343336656 437559864 /nfs/dbraw/zinc/55/98/64/437559864.db2.gz LMGUISBDWDVSPT-UHFFFAOYSA-N 1 2 330.392 0.244 20 30 ECEDLO C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)C1=O ZINC000354297985 437580796 /nfs/dbraw/zinc/58/07/96/437580796.db2.gz VVEKSQHNRAAJMS-UHFFFAOYSA-N 1 2 341.327 0.787 20 30 ECEDLO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cccc(S(C)(=O)=O)c1 ZINC000330680104 437587263 /nfs/dbraw/zinc/58/72/63/437587263.db2.gz NHSCSEJWMAFCPE-CYBMUJFWSA-N 1 2 325.434 0.641 20 30 ECEDLO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cccc(S(C)(=O)=O)c1 ZINC000330680104 437587265 /nfs/dbraw/zinc/58/72/65/437587265.db2.gz NHSCSEJWMAFCPE-CYBMUJFWSA-N 1 2 325.434 0.641 20 30 ECEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000330863201 437634928 /nfs/dbraw/zinc/63/49/28/437634928.db2.gz MQXRFHIDDHIAMR-UHFFFAOYSA-N 1 2 339.417 0.523 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCCN(CCOC)C(=O)C1 ZINC000190782886 437639746 /nfs/dbraw/zinc/63/97/46/437639746.db2.gz MMLOXSFKPKRBTQ-OAHLLOKOSA-N 1 2 325.453 0.980 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCCN(CCOC)C(=O)C1 ZINC000190782886 437639752 /nfs/dbraw/zinc/63/97/52/437639752.db2.gz MMLOXSFKPKRBTQ-OAHLLOKOSA-N 1 2 325.453 0.980 20 30 ECEDLO CC(C)[C@@H](CO)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330900411 437645760 /nfs/dbraw/zinc/64/57/60/437645760.db2.gz WIKZICAUTGPOSY-OAHLLOKOSA-N 1 2 349.435 0.621 20 30 ECEDLO CCOC(=O)C1(O)CC[NH+]([C@H](C)C(=O)NC(=O)NC(C)C)CC1 ZINC000330969105 437659252 /nfs/dbraw/zinc/65/92/52/437659252.db2.gz FQFRHGZOQJAAQB-LLVKDONJSA-N 1 2 329.397 0.204 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000330978217 437661756 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C=CCN(C(=O)[C@@H]1C[N@H+](C(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000355267446 437693528 /nfs/dbraw/zinc/69/35/28/437693528.db2.gz QQKILTAOZGDQOM-KGLIPLIRSA-N 1 2 330.450 0.297 20 30 ECEDLO C=CCN(C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000355267446 437693532 /nfs/dbraw/zinc/69/35/32/437693532.db2.gz QQKILTAOZGDQOM-KGLIPLIRSA-N 1 2 330.450 0.297 20 30 ECEDLO Cc1ncc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1C#N ZINC000331165817 437704787 /nfs/dbraw/zinc/70/47/87/437704787.db2.gz SKCSJPXCOONABW-GFCCVEGCSA-N 1 2 338.433 0.508 20 30 ECEDLO CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N1CC[NH+](CCO)CC1 ZINC000331220219 437720467 /nfs/dbraw/zinc/72/04/67/437720467.db2.gz UECMMFWYBXXZAJ-ZDUSSCGKSA-N 1 2 328.457 0.450 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1cc(OC(F)F)n(C)n1 ZINC000331201374 437715044 /nfs/dbraw/zinc/71/50/44/437715044.db2.gz VMPZYSOHQYWFSC-VIFPVBQESA-N 1 2 333.339 1.068 20 30 ECEDLO Cc1c(CNC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)cnn1C ZINC000331251261 437726509 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0.831 20 30 ECEDLO C=C[C@@H](C(=O)OC)[N@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000595626886 438836733 /nfs/dbraw/zinc/83/67/33/438836733.db2.gz PTSBILJZMWWOQC-ZNMIVQPWSA-N 1 2 328.368 0.831 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000601453428 438900200 /nfs/dbraw/zinc/90/02/00/438900200.db2.gz SQVXQOYGTXOQLB-RDBSUJKOSA-N 1 2 344.481 0.412 20 30 ECEDLO Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000565051943 438909744 /nfs/dbraw/zinc/90/97/44/438909744.db2.gz SGPKWFZKRRQTIY-AWEZNQCLSA-N 1 2 342.421 0.412 20 30 ECEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@H](C#N)C1 ZINC000578287063 438909949 /nfs/dbraw/zinc/90/99/49/438909949.db2.gz UOJIWBSBOTZRHW-KGLIPLIRSA-N 1 2 333.392 0.234 20 30 ECEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@H](C#N)C1 ZINC000578287063 438909952 /nfs/dbraw/zinc/90/99/52/438909952.db2.gz UOJIWBSBOTZRHW-KGLIPLIRSA-N 1 2 333.392 0.234 20 30 ECEDLO C=C(C)C[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)C(=O)OC ZINC000601501548 438918569 /nfs/dbraw/zinc/91/85/69/438918569.db2.gz CMKKZWHANPXNPL-CYBMUJFWSA-N 1 2 334.438 0.136 20 30 ECEDLO Cc1cc(NCCc2nnc[nH]2)c(C#N)c(NCCc2nnc[nH]2)[nH+]1 ZINC000596158565 438934942 /nfs/dbraw/zinc/93/49/42/438934942.db2.gz ZGERWIRQZDEMNM-UHFFFAOYSA-N 1 2 338.379 0.807 20 30 ECEDLO C[C@H]1CN(C(=O)C[NH+]2CCN(c3cnccc3C#N)CC2)C[C@H](C)O1 ZINC000565339934 438941829 /nfs/dbraw/zinc/94/18/29/438941829.db2.gz DEAOXBJOBHJDNJ-GJZGRUSLSA-N 1 2 343.431 0.711 20 30 ECEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000459304024 438957456 /nfs/dbraw/zinc/95/74/56/438957456.db2.gz GONRQNPNVUNTHI-UHFFFAOYSA-N 1 2 345.428 0.830 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000579140587 438986885 /nfs/dbraw/zinc/98/68/85/438986885.db2.gz IWVUUSJYRMBLAR-JTQLQIEISA-N 1 2 349.438 0.105 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)c2ccn(C)n2)CC1 ZINC000459792631 438998694 /nfs/dbraw/zinc/99/86/94/438998694.db2.gz ODKHFNWKEFKQKR-HOCLYGCPSA-N 1 2 332.452 0.763 20 30 ECEDLO N#Cc1cc(F)cc(NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000602032694 439000475 /nfs/dbraw/zinc/00/04/75/439000475.db2.gz AKCWSCUNQLBANF-GFCCVEGCSA-N 1 2 327.319 0.964 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000518523212 439001352 /nfs/dbraw/zinc/00/13/52/439001352.db2.gz DRYFOKYCDMDIKE-GJZGRUSLSA-N 1 2 333.436 0.838 20 30 ECEDLO CC(=O)N1CC[NH+](CCNC(=O)c2cc(F)c(C#N)c(F)c2)CC1 ZINC000596802414 439001789 /nfs/dbraw/zinc/00/17/89/439001789.db2.gz ZYTSSYXGDCHBBN-UHFFFAOYSA-N 1 2 336.342 0.730 20 30 ECEDLO COCC#CC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591477944 439019190 /nfs/dbraw/zinc/01/91/90/439019190.db2.gz HTYGDSFKTDADBE-UHFFFAOYSA-N 1 2 341.389 0.455 20 30 ECEDLO COCC#CC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591477944 439019195 /nfs/dbraw/zinc/01/91/95/439019195.db2.gz HTYGDSFKTDADBE-UHFFFAOYSA-N 1 2 341.389 0.455 20 30 ECEDLO C=CCCCCCN(C)C(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000459886647 439027318 /nfs/dbraw/zinc/02/73/18/439027318.db2.gz OPCPLZBMPNTWJX-UHFFFAOYSA-N 1 2 325.453 0.982 20 30 ECEDLO CN(CC(=O)N[C@](C)(C#N)C[NH+](C)C)S(=O)(=O)c1ccccc1 ZINC000566848543 439093158 /nfs/dbraw/zinc/09/31/58/439093158.db2.gz QSLLLROUYDZYDP-OAHLLOKOSA-N 1 2 338.433 0.267 20 30 ECEDLO N#CC1(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)CCOCC1 ZINC000478875303 439109581 /nfs/dbraw/zinc/10/95/81/439109581.db2.gz OFGOVYWBFXQCJZ-HNNXBMFYSA-N 1 2 337.420 0.256 20 30 ECEDLO C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149132 439168236 /nfs/dbraw/zinc/16/82/36/439168236.db2.gz JFAMVBDCLTZKAH-GUYCJALGSA-N 1 2 330.388 0.751 20 30 ECEDLO C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149132 439168240 /nfs/dbraw/zinc/16/82/40/439168240.db2.gz JFAMVBDCLTZKAH-GUYCJALGSA-N 1 2 330.388 0.751 20 30 ECEDLO CCN(CC)C(=O)C[NH+]1CCC(NS(=O)(=O)CCCC#N)CC1 ZINC000580725257 439123728 /nfs/dbraw/zinc/12/37/28/439123728.db2.gz QPOPLEJMTGYOGW-UHFFFAOYSA-N 1 2 344.481 0.542 20 30 ECEDLO N#C[C@@H](CCc1ccccc1)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000597618889 439138184 /nfs/dbraw/zinc/13/81/84/439138184.db2.gz WLWNYZKWVURGJL-IAGOWNOFSA-N 1 2 331.416 0.568 20 30 ECEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc1C#N ZINC000597623564 439140998 /nfs/dbraw/zinc/14/09/98/439140998.db2.gz AJGLGJXCSADOMI-GFCCVEGCSA-N 1 2 347.444 0.500 20 30 ECEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)cc1C#N ZINC000597623564 439141003 /nfs/dbraw/zinc/14/10/03/439141003.db2.gz AJGLGJXCSADOMI-GFCCVEGCSA-N 1 2 347.444 0.500 20 30 ECEDLO Cc1cc(N2CC[C@H]([N@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)C2=O)n(C)n1 ZINC000602866541 439148740 /nfs/dbraw/zinc/14/87/40/439148740.db2.gz VUJDWYNQIPBLHS-ZNMIVQPWSA-N 1 2 330.436 0.752 20 30 ECEDLO Cc1cc(N2CC[C@H]([N@@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)C2=O)n(C)n1 ZINC000602866541 439148743 /nfs/dbraw/zinc/14/87/43/439148743.db2.gz VUJDWYNQIPBLHS-ZNMIVQPWSA-N 1 2 330.436 0.752 20 30 ECEDLO COc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000522523562 439152556 /nfs/dbraw/zinc/15/25/56/439152556.db2.gz AAVDHLRHVJQVNP-GFCCVEGCSA-N 1 2 346.387 0.342 20 30 ECEDLO COc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000522523562 439152562 /nfs/dbraw/zinc/15/25/62/439152562.db2.gz AAVDHLRHVJQVNP-GFCCVEGCSA-N 1 2 346.387 0.342 20 30 ECEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602937149 439164821 /nfs/dbraw/zinc/16/48/21/439164821.db2.gz RFWLUSSGIKNPFE-XWIAVFTESA-N 1 2 341.367 0.757 20 30 ECEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602937149 439164824 /nfs/dbraw/zinc/16/48/24/439164824.db2.gz RFWLUSSGIKNPFE-XWIAVFTESA-N 1 2 341.367 0.757 20 30 ECEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 ZINC000592147535 439165355 /nfs/dbraw/zinc/16/53/55/439165355.db2.gz PWHTXJMEVLQITE-HNNXBMFYSA-N 1 2 339.417 0.915 20 30 ECEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 ZINC000592147535 439165363 /nfs/dbraw/zinc/16/53/63/439165363.db2.gz PWHTXJMEVLQITE-HNNXBMFYSA-N 1 2 339.417 0.915 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000603007024 439182814 /nfs/dbraw/zinc/18/28/14/439182814.db2.gz VIUXTCCHVGRFOX-CQSZACIVSA-N 1 2 346.431 0.910 20 30 ECEDLO CN(C(=O)Cn1cc([C@H]2COCC[NH2+]2)nn1)C1(C#N)CCCCC1 ZINC000603179921 439204140 /nfs/dbraw/zinc/20/41/40/439204140.db2.gz OCYAOLAPZOGMRJ-CQSZACIVSA-N 1 2 332.408 0.624 20 30 ECEDLO C#CCN(C(=O)Cc1cn2ccccc2[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000490615002 439277476 /nfs/dbraw/zinc/27/74/76/439277476.db2.gz CUNRWFKXPLZZDN-CQSZACIVSA-N 1 2 331.397 0.526 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000490617366 439279080 /nfs/dbraw/zinc/27/90/80/439279080.db2.gz OTIHFWFNXGSLOZ-MRXNPFEDSA-N 1 2 348.491 0.533 20 30 ECEDLO C#CCNC(=O)[C@@H](C)N1CC[NH+](CC(=O)N(C)C2CCCCC2)CC1 ZINC000490617366 439279086 /nfs/dbraw/zinc/27/90/86/439279086.db2.gz OTIHFWFNXGSLOZ-MRXNPFEDSA-N 1 2 348.491 0.533 20 30 ECEDLO CC(C)(C#N)C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000598585343 439282229 /nfs/dbraw/zinc/28/22/29/439282229.db2.gz CMIOFVYSSPMLGX-AWEZNQCLSA-N 1 2 336.436 0.054 20 30 ECEDLO Cc1ncc(S(=O)(=O)N2CC(=O)Nc3c[nH+]ccc32)cc1C#N ZINC000489613124 439235299 /nfs/dbraw/zinc/23/52/99/439235299.db2.gz UMGLLCNUFUFRMP-UHFFFAOYSA-N 1 2 329.341 0.804 20 30 ECEDLO CN1CC[C@@H](Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)C1=O ZINC000603335141 439242906 /nfs/dbraw/zinc/24/29/06/439242906.db2.gz JRSXXWVYABBMRX-AWEZNQCLSA-N 1 2 330.388 0.030 20 30 ECEDLO N#Cc1cccc(CNC(=O)Cn2cc[nH+]c2CN2CCOCC2)c1 ZINC000603423875 439260521 /nfs/dbraw/zinc/26/05/21/439260521.db2.gz SEAMSOXLTPUZSW-UHFFFAOYSA-N 1 2 339.399 0.903 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000490950991 439317921 /nfs/dbraw/zinc/31/79/21/439317921.db2.gz VNJCYYOFFHEHJF-UHFFFAOYSA-N 1 2 332.360 0.763 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](F)c2ccccc2)CC1 ZINC000490984879 439320190 /nfs/dbraw/zinc/32/01/90/439320190.db2.gz IYXUKLMRUQTCDH-QGZVFWFLSA-N 1 2 331.391 0.981 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](F)c2ccccc2)CC1 ZINC000490984879 439320194 /nfs/dbraw/zinc/32/01/94/439320194.db2.gz IYXUKLMRUQTCDH-QGZVFWFLSA-N 1 2 331.391 0.981 20 30 ECEDLO C#CCN1CCN(C(=O)C[NH+]2CCN(c3cccc(O)c3)CC2)CC1 ZINC000490739155 439292930 /nfs/dbraw/zinc/29/29/30/439292930.db2.gz BNQRQKORCGCJDW-UHFFFAOYSA-N 1 2 342.443 0.292 20 30 ECEDLO CCN1CCC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CC1=O ZINC000528473165 439338167 /nfs/dbraw/zinc/33/81/67/439338167.db2.gz MSXXLZVXVNSULR-UHFFFAOYSA-N 1 2 339.395 0.840 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(-n3cnnn3)c(C)c2)CC1 ZINC000490759941 439295495 /nfs/dbraw/zinc/29/54/95/439295495.db2.gz IOWZEVXCOMQDRE-UHFFFAOYSA-N 1 2 339.403 0.160 20 30 ECEDLO CCN1CCC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CC1=O ZINC000528473165 439338174 /nfs/dbraw/zinc/33/81/74/439338174.db2.gz MSXXLZVXVNSULR-UHFFFAOYSA-N 1 2 339.395 0.840 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(S(C)(=O)=O)c2)CC1 ZINC000490778932 439299122 /nfs/dbraw/zinc/29/91/22/439299122.db2.gz PAASHBNQXCFPGF-UHFFFAOYSA-N 1 2 335.429 0.279 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CC[C@H](C(N)=O)c3ccccc32)CC1 ZINC000490891303 439306971 /nfs/dbraw/zinc/30/69/71/439306971.db2.gz CONUUWXXBQKANY-INIZCTEOSA-N 1 2 340.427 0.243 20 30 ECEDLO COC(=O)N(C)CCCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000491198085 439346474 /nfs/dbraw/zinc/34/64/74/439346474.db2.gz NWCVTRZECCXWFL-UHFFFAOYSA-N 1 2 340.424 0.539 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](Cn2cc(C(=O)OCC)c(C)n2)CC1 ZINC000491203518 439347771 /nfs/dbraw/zinc/34/77/71/439347771.db2.gz XBDBORFLSBDIMB-UHFFFAOYSA-N 1 2 332.404 0.787 20 30 ECEDLO C#CCN(C(=O)Nc1ccn2cc[nH+]c2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000491351162 439370402 /nfs/dbraw/zinc/37/04/02/439370402.db2.gz SEBRGYJQRGIPPV-CYBMUJFWSA-N 1 2 332.385 0.989 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000491394442 439376165 /nfs/dbraw/zinc/37/61/65/439376165.db2.gz MCUPIZMABGKLOX-UHFFFAOYSA-N 1 2 326.400 0.304 20 30 ECEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000599193302 439376966 /nfs/dbraw/zinc/37/69/66/439376966.db2.gz JIGOIRMYZFTWQV-CYBMUJFWSA-N 1 2 349.460 0.782 20 30 ECEDLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000599193302 439376969 /nfs/dbraw/zinc/37/69/69/439376969.db2.gz JIGOIRMYZFTWQV-CYBMUJFWSA-N 1 2 349.460 0.782 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(C(=O)OC)c2F)CC1 ZINC000491374789 439374232 /nfs/dbraw/zinc/37/42/32/439374232.db2.gz SWATYRLHUDMAEZ-UHFFFAOYSA-N 1 2 333.363 0.802 20 30 ECEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000599194072 439378128 /nfs/dbraw/zinc/37/81/28/439378128.db2.gz ORJQESLGZPKWTM-HUUCEWRRSA-N 1 2 345.403 0.447 20 30 ECEDLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000599194072 439378135 /nfs/dbraw/zinc/37/81/35/439378135.db2.gz ORJQESLGZPKWTM-HUUCEWRRSA-N 1 2 345.403 0.447 20 30 ECEDLO C#CCN(C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)C1CC1 ZINC000491395494 439377596 /nfs/dbraw/zinc/37/75/96/439377596.db2.gz SSWHLJTVLSHUPO-UHFFFAOYSA-N 1 2 332.448 0.738 20 30 ECEDLO C=CCn1cc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)nn1 ZINC000582901693 439393729 /nfs/dbraw/zinc/39/37/29/439393729.db2.gz GBQGXHRFARYRHM-UHFFFAOYSA-N 1 2 341.419 0.887 20 30 ECEDLO C#CCN(C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000491622316 439412502 /nfs/dbraw/zinc/41/25/02/439412502.db2.gz IAMKGAVVOXDXED-CZUORRHYSA-N 1 2 344.452 0.848 20 30 ECEDLO C#CCN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000491622316 439412504 /nfs/dbraw/zinc/41/25/04/439412504.db2.gz IAMKGAVVOXDXED-CZUORRHYSA-N 1 2 344.452 0.848 20 30 ECEDLO C#CCN(C)C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000491680278 439427063 /nfs/dbraw/zinc/42/70/63/439427063.db2.gz IHHBLACZNJYKBH-UHFFFAOYSA-N 1 2 329.404 0.558 20 30 ECEDLO C#CCN1C(=O)C[C@@H]([N@@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)C1=O ZINC000491726382 439434456 /nfs/dbraw/zinc/43/44/56/439434456.db2.gz JIOQWEWTHZJNQC-UPJWGTAASA-N 1 2 348.305 0.550 20 30 ECEDLO C#CCN1C(=O)C[C@@H]([N@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)C1=O ZINC000491726382 439434458 /nfs/dbraw/zinc/43/44/58/439434458.db2.gz JIOQWEWTHZJNQC-UPJWGTAASA-N 1 2 348.305 0.550 20 30 ECEDLO C#C[C@@H](C)N(C)c1nc(N(C)[C@H](C)C#C)[nH+]c(N2CCOCC2)n1 ZINC000491737387 439440174 /nfs/dbraw/zinc/44/01/74/439440174.db2.gz BQKFGMMAXAATKA-ZIAGYGMSSA-N 1 2 328.420 0.624 20 30 ECEDLO C#C[C@@H](C)N(C)c1nc(N2CCOCC2)nc(N(C)[C@H](C)C#C)[nH+]1 ZINC000491737387 439440180 /nfs/dbraw/zinc/44/01/80/439440180.db2.gz BQKFGMMAXAATKA-ZIAGYGMSSA-N 1 2 328.420 0.624 20 30 ECEDLO C[C@H](NC[C@H](O)C[N@H+](C)CCC#N)c1nnnn1-c1ccccc1 ZINC000571040095 439470094 /nfs/dbraw/zinc/47/00/94/439470094.db2.gz RSZKWEGGWQRWDG-ZFWWWQNUSA-N 1 2 329.408 0.519 20 30 ECEDLO C[C@H](NC[C@H](O)C[N@@H+](C)CCC#N)c1nnnn1-c1ccccc1 ZINC000571040095 439470099 /nfs/dbraw/zinc/47/00/99/439470099.db2.gz RSZKWEGGWQRWDG-ZFWWWQNUSA-N 1 2 329.408 0.519 20 30 ECEDLO CN(CC[NH+]1CCOCC1)C(=O)C(=O)NCc1ccc(CC#N)cc1 ZINC000571164688 439479221 /nfs/dbraw/zinc/47/92/21/439479221.db2.gz VXEPCOGJYXBOLA-UHFFFAOYSA-N 1 2 344.415 0.159 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCC(NS(N)(=O)=O)CC2)c(Cl)c1 ZINC000599648136 439526443 /nfs/dbraw/zinc/52/64/43/439526443.db2.gz SJVFRFHVCASLEP-UHFFFAOYSA-N 1 2 328.825 0.969 20 30 ECEDLO N#Cc1c(C[NH+]2CCC(NS(N)(=O)=O)CC2)cn2ccccc12 ZINC000599646739 439527766 /nfs/dbraw/zinc/52/77/66/439527766.db2.gz KNIDZEMXAFEDDP-UHFFFAOYSA-N 1 2 333.417 0.568 20 30 ECEDLO CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCCn1cc[nH+]c1 ZINC000542825379 439559203 /nfs/dbraw/zinc/55/92/03/439559203.db2.gz GCLFIVSNGQTIET-UHFFFAOYSA-N 1 2 330.396 0.724 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2nn3c(nc(C)cc3=O)s2)C1=O ZINC000531706264 439512511 /nfs/dbraw/zinc/51/25/11/439512511.db2.gz PYTDKCXXIXGNIG-LLVKDONJSA-N 1 2 333.417 0.678 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2nn3c(nc(C)cc3=O)s2)C1=O ZINC000531706264 439512514 /nfs/dbraw/zinc/51/25/14/439512514.db2.gz PYTDKCXXIXGNIG-LLVKDONJSA-N 1 2 333.417 0.678 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000594815774 439619071 /nfs/dbraw/zinc/61/90/71/439619071.db2.gz BTBMKXFTZXITQR-HZSPNIEDSA-N 1 2 332.470 0.412 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000594815774 439619073 /nfs/dbraw/zinc/61/90/73/439619073.db2.gz BTBMKXFTZXITQR-HZSPNIEDSA-N 1 2 332.470 0.412 20 30 ECEDLO COCCCS(=O)(=O)NCC[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000610481101 439619132 /nfs/dbraw/zinc/61/91/32/439619132.db2.gz HGIJMCCKIBMWPM-OAHLLOKOSA-N 1 2 346.497 0.108 20 30 ECEDLO N#CC1(NC(=O)C[NH+]2CCC(N3CN=NC3=O)CC2)CCCCC1 ZINC000572444653 439583469 /nfs/dbraw/zinc/58/34/69/439583469.db2.gz RBFWZGMCXDUNIE-UHFFFAOYSA-N 1 2 332.408 0.963 20 30 ECEDLO C[N@@H+]1CCO[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 ZINC000492928206 439590542 /nfs/dbraw/zinc/59/05/42/439590542.db2.gz DMWXNLSKAQCAGZ-OLZOCXBDSA-N 1 2 338.408 0.288 20 30 ECEDLO C[N@H+]1CCO[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 ZINC000492928206 439590546 /nfs/dbraw/zinc/59/05/46/439590546.db2.gz DMWXNLSKAQCAGZ-OLZOCXBDSA-N 1 2 338.408 0.288 20 30 ECEDLO C[C@H](O)CNC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000573808181 439667665 /nfs/dbraw/zinc/66/76/65/439667665.db2.gz MGVNMXSQDMGEJJ-ZFWWWQNUSA-N 1 2 335.404 0.382 20 30 ECEDLO C[C@H](O)CNC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000573808181 439667669 /nfs/dbraw/zinc/66/76/69/439667669.db2.gz MGVNMXSQDMGEJJ-ZFWWWQNUSA-N 1 2 335.404 0.382 20 30 ECEDLO C[N@H+](CCc1ccc(C#N)cc1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000595354784 439712308 /nfs/dbraw/zinc/71/23/08/439712308.db2.gz FNWIDRFGKXLGJP-OAHLLOKOSA-N 1 2 335.429 0.336 20 30 ECEDLO C[N@@H+](CCc1ccc(C#N)cc1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000595354784 439712310 /nfs/dbraw/zinc/71/23/10/439712310.db2.gz FNWIDRFGKXLGJP-OAHLLOKOSA-N 1 2 335.429 0.336 20 30 ECEDLO C=CC[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000617786221 439972890 /nfs/dbraw/zinc/97/28/90/439972890.db2.gz VYGYDDVTGAINKE-DLBZAZTESA-N 1 2 349.475 0.982 20 30 ECEDLO C=CCCn1cc(CN2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)nn1 ZINC000653568518 440208237 /nfs/dbraw/zinc/20/82/37/440208237.db2.gz ZAMWACSVKCTTNQ-MRXNPFEDSA-N 1 2 346.479 0.983 20 30 ECEDLO C=CCOCCCNC(=O)N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000666521598 440652963 /nfs/dbraw/zinc/65/29/63/440652963.db2.gz IMUPSCSWJWIEGM-UHFFFAOYSA-N 1 2 340.468 0.775 20 30 ECEDLO C=CCn1c(Cc2cc(C)[nH]n2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000634337719 440643036 /nfs/dbraw/zinc/64/30/36/440643036.db2.gz IAKGQWQZZMXYHC-UHFFFAOYSA-N 1 2 345.451 0.855 20 30 ECEDLO C=CCn1c(Cc2cc(C)n[nH]2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000634337719 440643043 /nfs/dbraw/zinc/64/30/43/440643043.db2.gz IAKGQWQZZMXYHC-UHFFFAOYSA-N 1 2 345.451 0.855 20 30 ECEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Nc2cccc(C#N)n2)CC1 ZINC000571917767 322736300 /nfs/dbraw/zinc/73/63/00/322736300.db2.gz JZRHCRMSNUDBIW-LBPRGKRZSA-N 1 2 342.403 0.770 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(CCOc2cccc(OC)c2)CC1 ZINC000164547506 527020524 /nfs/dbraw/zinc/02/05/24/527020524.db2.gz PAOHQZWSROJZAZ-MRXNPFEDSA-N 1 2 345.443 0.830 20 30 ECEDLO Cc1nn(C)c(C)c1NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329580829 546028234 /nfs/dbraw/zinc/02/82/34/546028234.db2.gz UXSPEHSOWFZDNL-UHFFFAOYSA-N 1 2 347.423 1.223 20 30 ECEDLO C=CCOC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)C(=O)OC ZINC000619544379 546340154 /nfs/dbraw/zinc/34/01/54/546340154.db2.gz YARZQXPYWURSOA-HZPDHXFCSA-N 1 2 347.415 0.906 20 30 ECEDLO C=CCOC[C@@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)C(=O)OC ZINC000619544379 546340157 /nfs/dbraw/zinc/34/01/57/546340157.db2.gz YARZQXPYWURSOA-HZPDHXFCSA-N 1 2 347.415 0.906 20 30 ECEDLO C=C[C@H](C(=O)OC)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000619718683 546363560 /nfs/dbraw/zinc/36/35/60/546363560.db2.gz UYNDWPLRDSKNPJ-MRXNPFEDSA-N 1 2 349.406 0.901 20 30 ECEDLO C=CCn1c(-c2cn[nH]c2)nnc1N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000624853685 546982066 /nfs/dbraw/zinc/98/20/66/546982066.db2.gz TWEBUPVNVUFZKV-UHFFFAOYSA-N 1 2 344.423 0.064 20 30 ECEDLO C=C[C@H](O)C(=O)N1CC[NH+](CCNC(=O)c2ccc(OC)cc2)CC1 ZINC000668486704 547664978 /nfs/dbraw/zinc/66/49/78/547664978.db2.gz NQULZMGOTAYEOV-INIZCTEOSA-N 1 2 347.415 0.116 20 30 ECEDLO C=CCCN(C)C(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000671058741 548083294 /nfs/dbraw/zinc/08/32/94/548083294.db2.gz IXSXPCJQMMKQSV-UHFFFAOYSA-N 1 2 344.459 0.959 20 30 ECEDLO COCC#CC[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000677817376 548958119 /nfs/dbraw/zinc/95/81/19/548958119.db2.gz OSBGRLJKTIYYMR-UHFFFAOYSA-N 1 2 332.429 0.523 20 30 ECEDLO C=CCN1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)nn2)C1=O ZINC000684988237 549642981 /nfs/dbraw/zinc/64/29/81/549642981.db2.gz RWSICJHUSKUVPT-ZDUSSCGKSA-N 1 2 326.360 0.521 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](C[C@@H](F)CC)C[C@H]1O ZINC001078028001 782171298 /nfs/dbraw/zinc/17/12/98/782171298.db2.gz UFHBEHUVAQDJOD-NWANDNLSSA-N 1 2 335.379 0.617 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](C[C@@H](F)CC)C[C@H]1O ZINC001078028001 782171304 /nfs/dbraw/zinc/17/13/04/782171304.db2.gz UFHBEHUVAQDJOD-NWANDNLSSA-N 1 2 335.379 0.617 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)N3C)CC1 ZINC000749993364 579345711 /nfs/dbraw/zinc/34/57/11/579345711.db2.gz DJJGPUYGQFFKRS-CYBMUJFWSA-N 1 2 326.400 0.854 20 30 ECEDLO C#CCOCCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000753073466 579394663 /nfs/dbraw/zinc/39/46/63/579394663.db2.gz AVQRILNCVPTCQM-KRWDZBQOSA-N 1 2 331.416 0.836 20 30 ECEDLO C#CCOCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000753073466 579394664 /nfs/dbraw/zinc/39/46/64/579394664.db2.gz AVQRILNCVPTCQM-KRWDZBQOSA-N 1 2 331.416 0.836 20 30 ECEDLO C#C[C@@H](CC)NC(=O)N1CC[NH+]([C@H](C)C(=O)NCCCOC)CC1 ZINC000753245153 579397531 /nfs/dbraw/zinc/39/75/31/579397531.db2.gz CZUBEBNMYDXMBP-CABCVRRESA-N 1 2 338.452 0.267 20 30 ECEDLO C[S@](=O)CC[NH+]1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000755959750 579442727 /nfs/dbraw/zinc/44/27/27/579442727.db2.gz UUBJIZRKMFGFLA-QHCPKHFHSA-N 1 2 334.445 0.493 20 30 ECEDLO C=CCSCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731682940 578313929 /nfs/dbraw/zinc/31/39/29/578313929.db2.gz IPFMGVHUMWJGMY-UHFFFAOYSA-N 1 2 349.522 0.714 20 30 ECEDLO CNC(=O)CNC(=S)N[NH+]=Cc1ccccc1N1CCO[C@H](C)C1 ZINC000731927890 578317666 /nfs/dbraw/zinc/31/76/66/578317666.db2.gz WTTIOCZOQVXMPQ-GFCCVEGCSA-N 1 2 349.460 0.456 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 ZINC000732059874 578318564 /nfs/dbraw/zinc/31/85/64/578318564.db2.gz IPQSYRBDLJUHIW-AWEZNQCLSA-N 1 2 348.428 0.289 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 ZINC000732059874 578318565 /nfs/dbraw/zinc/31/85/65/578318565.db2.gz IPQSYRBDLJUHIW-AWEZNQCLSA-N 1 2 348.428 0.289 20 30 ECEDLO C=CCn1c(=O)n(CC=C)c(=O)n(C[NH+]2CCC(F)(F)CC2)c1=O ZINC000794687785 578597788 /nfs/dbraw/zinc/59/77/88/578597788.db2.gz YXKPGKJATZRTQL-UHFFFAOYSA-N 1 2 342.346 0.232 20 30 ECEDLO C#CCC[C@H](O)CNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000798361269 578644687 /nfs/dbraw/zinc/64/46/87/578644687.db2.gz YLHYRVMOVGWQOU-HNNXBMFYSA-N 1 2 332.404 0.492 20 30 ECEDLO C[C@H](C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1)n1cnc(C#N)n1 ZINC000798970325 578654905 /nfs/dbraw/zinc/65/49/05/578654905.db2.gz IVKXEWAISUPVJD-WDEREUQCSA-N 1 2 333.421 0.346 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000783011826 578737339 /nfs/dbraw/zinc/73/73/39/578737339.db2.gz DFZFALMYSBZINZ-AWEZNQCLSA-N 1 2 347.481 0.243 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000783011826 578737340 /nfs/dbraw/zinc/73/73/40/578737340.db2.gz DFZFALMYSBZINZ-AWEZNQCLSA-N 1 2 347.481 0.243 20 30 ECEDLO Cn1c(=O)c(=Cc2cc(-n3cc[nH+]c3)cs2)sc1=C(C#N)C#N ZINC000783946511 578747516 /nfs/dbraw/zinc/74/75/16/578747516.db2.gz SGWNWAPTCYQUBG-UHFFFAOYSA-N 1 2 339.405 0.721 20 30 ECEDLO N#Cc1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3ccco3)CC2)[nH]1 ZINC000786070204 578779863 /nfs/dbraw/zinc/77/98/63/578779863.db2.gz NJAFKADTZRLBAD-UHFFFAOYSA-N 1 2 342.355 0.981 20 30 ECEDLO C[C@H](OC(=O)C[N@H+](C)[C@@H]1CCSC1)C(=O)NC1(C#N)CCC1 ZINC000787769939 578816279 /nfs/dbraw/zinc/81/62/79/578816279.db2.gz XHRMIDNIAFNBMO-NWDGAFQWSA-N 1 2 325.434 0.918 20 30 ECEDLO C[C@H](OC(=O)C[N@@H+](C)[C@@H]1CCSC1)C(=O)NC1(C#N)CCC1 ZINC000787769939 578816280 /nfs/dbraw/zinc/81/62/80/578816280.db2.gz XHRMIDNIAFNBMO-NWDGAFQWSA-N 1 2 325.434 0.918 20 30 ECEDLO C[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000788276471 578831950 /nfs/dbraw/zinc/83/19/50/578831950.db2.gz ZMQZWNLDXQQPTG-NQBHXWOUSA-N 1 2 326.356 0.967 20 30 ECEDLO C[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000788276471 578831951 /nfs/dbraw/zinc/83/19/51/578831951.db2.gz ZMQZWNLDXQQPTG-NQBHXWOUSA-N 1 2 326.356 0.967 20 30 ECEDLO C#CCn1cc(CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)cn1 ZINC000791264990 578888697 /nfs/dbraw/zinc/88/86/97/578888697.db2.gz TZVQFKREVUYPER-UHFFFAOYSA-N 1 2 338.415 0.350 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)NCC(=O)OCc2cc[nH+]c(N)c2)c1 ZINC000791473538 578890182 /nfs/dbraw/zinc/89/01/82/578890182.db2.gz OUNOWSZOUQAUIX-UHFFFAOYSA-N 1 2 346.368 0.557 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1)[C@@H]1CCCO1 ZINC000773786874 579233644 /nfs/dbraw/zinc/23/36/44/579233644.db2.gz HMBHGWJWCXMYMK-KGLIPLIRSA-N 1 2 326.356 0.878 20 30 ECEDLO C#C[C@@H](NC(=O)N1CCN(Cc2[nH+]ccn2C)CC1)[C@H]1CCCO1 ZINC000776227754 579278082 /nfs/dbraw/zinc/27/80/82/579278082.db2.gz LODPXJLQVZNRFZ-HUUCEWRRSA-N 1 2 331.420 0.428 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccccc2-c2nnco2)CC1 ZINC000776300464 579279939 /nfs/dbraw/zinc/27/99/39/579279939.db2.gz ZDEKKPQRHWUILF-UHFFFAOYSA-N 1 2 326.356 0.893 20 30 ECEDLO C=CCn1c(=O)c(=Cc2cc(OC)cc(C)[nH+]2)sc1=C(C#N)C#N ZINC000776753317 579288806 /nfs/dbraw/zinc/28/88/06/579288806.db2.gz NOWHLUXUUZEXEO-UHFFFAOYSA-N 1 2 338.392 0.834 20 30 ECEDLO Cc1ccn(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c(=O)c1C#N ZINC000777568428 579300224 /nfs/dbraw/zinc/30/02/24/579300224.db2.gz ZSTJITYDGJAZFC-NSHDSACASA-N 1 2 342.321 0.986 20 30 ECEDLO Cc1ccn(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c(=O)c1C#N ZINC000777568428 579300226 /nfs/dbraw/zinc/30/02/26/579300226.db2.gz ZSTJITYDGJAZFC-NSHDSACASA-N 1 2 342.321 0.986 20 30 ECEDLO CC(C)[C@H](CNS(=O)(=O)CC(C)(C)C#N)[NH+]1CCN(C)CC1 ZINC000777820155 579303216 /nfs/dbraw/zinc/30/32/16/579303216.db2.gz YHQMCTSLCVZKKK-AWEZNQCLSA-N 1 2 330.498 0.728 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)c2cccc(F)c2C#N)CC[N@@H+]1CCO ZINC000778127477 579306530 /nfs/dbraw/zinc/30/65/30/579306530.db2.gz IKMADKGBBIQQFR-NSHDSACASA-N 1 2 327.381 0.384 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)c2cccc(F)c2C#N)CC[N@H+]1CCO ZINC000778127477 579306531 /nfs/dbraw/zinc/30/65/31/579306531.db2.gz IKMADKGBBIQQFR-NSHDSACASA-N 1 2 327.381 0.384 20 30 ECEDLO CN1CCC[C@H](ON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)C1=O ZINC000778592841 579309862 /nfs/dbraw/zinc/30/98/62/579309862.db2.gz SDCULICCANEOFH-INIZCTEOSA-N 1 2 346.431 0.777 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2c(C)nn(C)c2-n2cc(C)cn2)CC1 ZINC000778826859 579311395 /nfs/dbraw/zinc/31/13/95/579311395.db2.gz QGDGTRCHNWXEQF-UHFFFAOYSA-N 1 2 326.404 0.614 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000761023134 579519572 /nfs/dbraw/zinc/51/95/72/579519572.db2.gz DWHZOOXYXHDAIN-UHFFFAOYSA-N 1 2 338.389 0.180 20 30 ECEDLO CN(C)C(=O)CCN1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000763413156 579559984 /nfs/dbraw/zinc/55/99/84/579559984.db2.gz HJYFMYAXKFPTPU-KRWDZBQOSA-N 1 2 330.432 0.688 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2csc3cncn32)CC1 ZINC000741140780 579766150 /nfs/dbraw/zinc/76/61/50/579766150.db2.gz OTSNLWKVKWECPG-UHFFFAOYSA-N 1 2 345.428 0.293 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2csc3cncn32)CC1 ZINC000741140780 579766151 /nfs/dbraw/zinc/76/61/51/579766151.db2.gz OTSNLWKVKWECPG-UHFFFAOYSA-N 1 2 345.428 0.293 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1c[nH]c2ncccc12 ZINC000741760576 579777139 /nfs/dbraw/zinc/77/71/39/579777139.db2.gz OMMBUVLKJOLHSP-UHFFFAOYSA-N 1 2 332.433 0.693 20 30 ECEDLO CN(C)C(=S)N[NH+]=Cc1c(N2CCOCC2)nc2ccccn21 ZINC000741809588 579778105 /nfs/dbraw/zinc/77/81/05/579778105.db2.gz LNAKVCGCOGZELW-UHFFFAOYSA-N 1 2 332.433 0.941 20 30 ECEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cnn(CC#N)c1 ZINC000746355118 579836842 /nfs/dbraw/zinc/83/68/42/579836842.db2.gz RBTLKGXRORIGSP-CYBMUJFWSA-N 1 2 343.391 0.773 20 30 ECEDLO Cc1[nH+]c[nH]c1CNC(=O)CCN=C1NS(=O)(=O)c2ccccc21 ZINC000748406479 579858623 /nfs/dbraw/zinc/85/86/23/579858623.db2.gz SWXMNFFUGCZQCE-UHFFFAOYSA-N 1 2 347.400 0.463 20 30 ECEDLO CCn1nncc1CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000842025513 589008977 /nfs/dbraw/zinc/00/89/77/589008977.db2.gz WZINZACQWMKMRJ-UHFFFAOYSA-N 1 2 344.419 0.967 20 30 ECEDLO C=C(Br)CNC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000804772943 586063955 /nfs/dbraw/zinc/06/39/55/586063955.db2.gz PESYJZOGZFFPJF-MNOVXSKESA-N 1 2 348.241 0.237 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000891606563 586181786 /nfs/dbraw/zinc/18/17/86/586181786.db2.gz HFIIJNYYZWZSRK-AWEZNQCLSA-N 1 2 343.383 0.610 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000891606563 586181788 /nfs/dbraw/zinc/18/17/88/586181788.db2.gz HFIIJNYYZWZSRK-AWEZNQCLSA-N 1 2 343.383 0.610 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](C/C=C\c2ccccc2OC)CC1 ZINC000895916332 586212620 /nfs/dbraw/zinc/21/26/20/586212620.db2.gz ZPQZYUXGQHRWNL-VURMDHGXSA-N 1 2 349.456 0.794 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cc3ccccc3n2C)CC1 ZINC000895917327 586212938 /nfs/dbraw/zinc/21/29/38/586212938.db2.gz CMTAPXOHFPDBTD-UHFFFAOYSA-N 1 2 346.456 0.764 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccn3ccccc23)CC1 ZINC000896180426 586225221 /nfs/dbraw/zinc/22/52/21/586225221.db2.gz CDOOVJJVXPBIGB-UHFFFAOYSA-N 1 2 338.411 0.837 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccn3ccccc23)CC1 ZINC000896180426 586225222 /nfs/dbraw/zinc/22/52/22/586225222.db2.gz CDOOVJJVXPBIGB-UHFFFAOYSA-N 1 2 338.411 0.837 20 30 ECEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)cc1 ZINC000897283439 586294361 /nfs/dbraw/zinc/29/43/61/586294361.db2.gz LXWXOMLBUYRSOW-OCCSQVGLSA-N 1 2 336.417 0.312 20 30 ECEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCN3[C@@H](CNS3(=O)=O)C2)cc1 ZINC000897283439 586294364 /nfs/dbraw/zinc/29/43/64/586294364.db2.gz LXWXOMLBUYRSOW-OCCSQVGLSA-N 1 2 336.417 0.312 20 30 ECEDLO C=CCCn1cc(C(=O)O[C@@H](COC)C[N@@H+]2CCO[C@H](C)C2)nn1 ZINC000842966429 589043272 /nfs/dbraw/zinc/04/32/72/589043272.db2.gz IQRGSPRXHIICRK-ZIAGYGMSSA-N 1 2 338.408 0.747 20 30 ECEDLO C=CCCn1cc(C(=O)O[C@@H](COC)C[N@H+]2CCO[C@H](C)C2)nn1 ZINC000842966429 589043273 /nfs/dbraw/zinc/04/32/73/589043273.db2.gz IQRGSPRXHIICRK-ZIAGYGMSSA-N 1 2 338.408 0.747 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCO[C@H]3C)n2CCOC)CC1 ZINC000842993266 589046045 /nfs/dbraw/zinc/04/60/45/589046045.db2.gz FYTBLQZYRKZEPO-GJZGRUSLSA-N 1 2 333.436 0.572 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(CC(F)(F)F)n2CCOC)CC1 ZINC000843004705 589046263 /nfs/dbraw/zinc/04/62/63/589046263.db2.gz PRERNZSUYLJGRE-UHFFFAOYSA-N 1 2 331.342 0.785 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cc([C@@H](O)c3ccccc3)cn2)CC1 ZINC000902852134 586760410 /nfs/dbraw/zinc/76/04/10/586760410.db2.gz LKQXGOUQEPNVME-IBGZPJMESA-N 1 2 338.411 0.742 20 30 ECEDLO CCN(CCC#N)C(=O)C[NH+]1CCC(NS(=O)(=O)CC)CC1 ZINC000903005868 586765071 /nfs/dbraw/zinc/76/50/71/586765071.db2.gz DNWYRINDLLZVMS-UHFFFAOYSA-N 1 2 330.454 0.152 20 30 ECEDLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccsc1C#N ZINC000903497762 586780605 /nfs/dbraw/zinc/78/06/05/586780605.db2.gz PAQJNKQWSOVWPE-JTQLQIEISA-N 1 2 337.430 0.688 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)nn1 ZINC000843790031 589079579 /nfs/dbraw/zinc/07/95/79/589079579.db2.gz FBCKAZDIAKIUCF-QGZVFWFLSA-N 1 2 341.415 0.956 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(C3CC3)n2CCOC)CC1 ZINC000802424113 587018625 /nfs/dbraw/zinc/01/86/25/587018625.db2.gz HKFIVFOWVRECNW-UHFFFAOYSA-N 1 2 348.451 0.226 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)CN2CCN(Cc3cccnc3)C2=O)C1=O ZINC000840060607 587094587 /nfs/dbraw/zinc/09/45/87/587094587.db2.gz BEUVNYWHXBKPEX-INIZCTEOSA-N 1 2 343.431 0.995 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)CN2CCN(Cc3cccnc3)C2=O)C1=O ZINC000840060607 587094589 /nfs/dbraw/zinc/09/45/89/587094589.db2.gz BEUVNYWHXBKPEX-INIZCTEOSA-N 1 2 343.431 0.995 20 30 ECEDLO Cn1c(N)nc(Cl)c1C=[NH+]Nc1ccc(S(N)(=O)=O)cc1 ZINC000814680797 587278511 /nfs/dbraw/zinc/27/85/11/587278511.db2.gz IMZQOIFYZBEYRX-UHFFFAOYSA-N 1 2 328.785 0.749 20 30 ECEDLO C#Cc1cccc(CNC(=O)C(=O)N(C)CC[NH+]2CCOCC2)c1 ZINC000817844426 587388947 /nfs/dbraw/zinc/38/89/47/587388947.db2.gz UMDCRGRZRZMZDL-UHFFFAOYSA-N 1 2 329.400 0.075 20 30 ECEDLO C#C[C@H](NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000820600276 587543579 /nfs/dbraw/zinc/54/35/79/587543579.db2.gz VNVIPPRGGYJJHY-SJORKVTESA-N 1 2 331.416 0.695 20 30 ECEDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CC1(C#N)CC1 ZINC000824999185 587909876 /nfs/dbraw/zinc/90/98/76/587909876.db2.gz DJNYMWARDSCCIP-NSHDSACASA-N 1 2 325.380 0.471 20 30 ECEDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CC1(C#N)CC1 ZINC000824999185 587909877 /nfs/dbraw/zinc/90/98/77/587909877.db2.gz DJNYMWARDSCCIP-NSHDSACASA-N 1 2 325.380 0.471 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)C[C@H](OC)C2CCOCC2)CC1 ZINC000827037960 588096723 /nfs/dbraw/zinc/09/67/23/588096723.db2.gz QIMNLPDCMCZBEH-INIZCTEOSA-N 1 2 344.477 0.399 20 30 ECEDLO CC[C@H](C)[C@H](NC(=O)C#CC(C)C)C(=O)NCC[NH+]1CCOCC1 ZINC000827259990 588108879 /nfs/dbraw/zinc/10/88/79/588108879.db2.gz INPRWIFAXSUJPH-RDJZCZTQSA-N 1 2 337.464 0.625 20 30 ECEDLO C#CCCOc1ccc(C(=O)N(CCO)CC[NH+]2CCOCC2)cc1 ZINC000827400462 588118765 /nfs/dbraw/zinc/11/87/65/588118765.db2.gz MTLCGLKAYCMZIG-UHFFFAOYSA-N 1 2 346.427 0.855 20 30 ECEDLO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000829982973 588351865 /nfs/dbraw/zinc/35/18/65/588351865.db2.gz JUWQITFUXOQTBK-HWPZZCPQSA-N 1 2 329.360 0.946 20 30 ECEDLO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000829982973 588351866 /nfs/dbraw/zinc/35/18/66/588351866.db2.gz JUWQITFUXOQTBK-HWPZZCPQSA-N 1 2 329.360 0.946 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)CC1 ZINC000833364106 588536350 /nfs/dbraw/zinc/53/63/50/588536350.db2.gz DWCQDWRGTJUTGI-HNNXBMFYSA-N 1 2 335.448 0.587 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)CC1 ZINC000833364106 588536351 /nfs/dbraw/zinc/53/63/51/588536351.db2.gz DWCQDWRGTJUTGI-HNNXBMFYSA-N 1 2 335.448 0.587 20 30 ECEDLO C[C@H](NC(=O)C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1)C(=O)N(C)C ZINC000844370736 589109306 /nfs/dbraw/zinc/10/93/06/589109306.db2.gz SXPROCZSEZXUOI-SWLSCSKDSA-N 1 2 332.404 0.116 20 30 ECEDLO C[C@H](NC(=O)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1)C(=O)N(C)C ZINC000844370736 589109308 /nfs/dbraw/zinc/10/93/08/589109308.db2.gz SXPROCZSEZXUOI-SWLSCSKDSA-N 1 2 332.404 0.116 20 30 ECEDLO C=C[C@H](C)ONC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000846544842 589211125 /nfs/dbraw/zinc/21/11/25/589211125.db2.gz KJHDSDAXBSNRJO-UONOGXRCSA-N 1 2 325.409 0.322 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C(C)=C\c2cccnc2)CC1 ZINC000847446226 589247128 /nfs/dbraw/zinc/24/71/28/589247128.db2.gz MMGJWQSOVWGYGS-SSZFMOIBSA-N 1 2 340.427 0.769 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C(C)=C\c2cccnc2)CC1 ZINC000847446226 589247129 /nfs/dbraw/zinc/24/71/29/589247129.db2.gz MMGJWQSOVWGYGS-SSZFMOIBSA-N 1 2 340.427 0.769 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2cc(CCO)cc(OC)c2)CC1 ZINC000848517500 589300239 /nfs/dbraw/zinc/30/02/39/589300239.db2.gz DRUBDJCVBABODF-UHFFFAOYSA-N 1 2 332.400 0.386 20 30 ECEDLO C#CCCN(CCOC)C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000850711382 589381459 /nfs/dbraw/zinc/38/14/59/589381459.db2.gz SRSZKGXMXKWZFF-UHFFFAOYSA-N 1 2 344.415 0.229 20 30 ECEDLO C#CCOCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000851723396 589418246 /nfs/dbraw/zinc/41/82/46/589418246.db2.gz YDZJRNJXJOOONB-UHFFFAOYSA-N 1 2 333.413 0.514 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cnc3ccccc3n2)CC1 ZINC000851873311 589430054 /nfs/dbraw/zinc/43/00/54/589430054.db2.gz UWKYMGGFNLNNGJ-UHFFFAOYSA-N 1 2 345.428 0.215 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cccc(SC)c2)CC1 ZINC000851873847 589430519 /nfs/dbraw/zinc/43/05/19/589430519.db2.gz QIQSJAGTLWTEQD-UHFFFAOYSA-N 1 2 339.486 0.994 20 30 ECEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H]2CCN(CCC(=O)OC)C2=O)n1 ZINC000851996306 589436812 /nfs/dbraw/zinc/43/68/12/589436812.db2.gz MMVONAHFJPPAOJ-OAHLLOKOSA-N 1 2 332.404 0.502 20 30 ECEDLO C#CCn1ccc(C[N@H+](CC)[C@@H]2CCN(CCC(=O)OC)C2=O)n1 ZINC000851996306 589436815 /nfs/dbraw/zinc/43/68/15/589436815.db2.gz MMVONAHFJPPAOJ-OAHLLOKOSA-N 1 2 332.404 0.502 20 30 ECEDLO Cn1c(C[N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)cc(=O)n(C)c1=O ZINC000852325018 589490904 /nfs/dbraw/zinc/49/09/04/589490904.db2.gz DQMRPBJRMOBXQK-SFHVURJKSA-N 1 2 339.399 0.536 20 30 ECEDLO Cn1c(C[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)cc(=O)n(C)c1=O ZINC000852325018 589490905 /nfs/dbraw/zinc/49/09/05/589490905.db2.gz DQMRPBJRMOBXQK-SFHVURJKSA-N 1 2 339.399 0.536 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCO[C@@H](CC(F)(F)F)C2)CC1 ZINC000852741980 589509274 /nfs/dbraw/zinc/50/92/74/589509274.db2.gz NCRQTPJRZNELHO-ZDUSSCGKSA-N 1 2 333.354 0.417 20 30 ECEDLO N#Cc1ccc([C@@H](O)C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000854726487 589602890 /nfs/dbraw/zinc/60/28/90/589602890.db2.gz DQGWVWOCLLHABB-DLBZAZTESA-N 1 2 329.400 0.915 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2cn(CCO)nc2C2CCOCC2)CC1 ZINC000856637635 589669278 /nfs/dbraw/zinc/66/92/78/589669278.db2.gz OQKRPUCMBHWHSX-UHFFFAOYSA-N 1 2 346.431 0.160 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(C)Cc2c(C)cc(C)nc2OC)CC1 ZINC000856811584 589676540 /nfs/dbraw/zinc/67/65/40/589676540.db2.gz CYHMDORWTNUTGB-UHFFFAOYSA-N 1 2 344.459 0.916 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2c3c(nn2C)CCCC3)CC1 ZINC000866598373 589754005 /nfs/dbraw/zinc/75/40/05/589754005.db2.gz AQOYFIQFPXPMMY-UHFFFAOYSA-N 1 2 336.461 0.629 20 30 ECEDLO CCN1C(=O)CO[C@H](C(=O)OCC2(CC#N)CC2)[C@H]1c1[nH+]ccn1C ZINC000860423154 589771431 /nfs/dbraw/zinc/77/14/31/589771431.db2.gz FJIJHHADOHGOSN-KBPBESRZSA-N 1 2 346.387 0.946 20 30 ECEDLO C[C@H](CNS(=O)(=O)c1cc(F)cc(C#N)c1)C[NH+]1CCOCC1 ZINC000866825184 589783618 /nfs/dbraw/zinc/78/36/18/589783618.db2.gz YJCBDGQORHJULT-GFCCVEGCSA-N 1 2 341.408 0.944 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CC[C@H](C)O3)n2CCOC)CC1 ZINC000858952005 589785282 /nfs/dbraw/zinc/78/52/82/589785282.db2.gz WCEZPMXNFWQGQJ-GJZGRUSLSA-N 1 2 333.436 0.920 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)OCCOCCC)CC1 ZINC000858995480 589791560 /nfs/dbraw/zinc/79/15/60/589791560.db2.gz RHTPFDHHJQVXJC-UHFFFAOYSA-N 1 2 325.409 0.307 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)OCCOCCC)CC1 ZINC000858995480 589791563 /nfs/dbraw/zinc/79/15/63/589791563.db2.gz RHTPFDHHJQVXJC-UHFFFAOYSA-N 1 2 325.409 0.307 20 30 ECEDLO C=CCOC[C@H](NC(=O)[C@H]1CCC[N@H+](CC(F)F)C1)C(=O)OC ZINC000867969956 589865843 /nfs/dbraw/zinc/86/58/43/589865843.db2.gz ULXCTFTZTXLQBX-RYUDHWBXSA-N 1 2 334.363 0.824 20 30 ECEDLO C=CCOC[C@H](NC(=O)[C@H]1CCC[N@@H+](CC(F)F)C1)C(=O)OC ZINC000867969956 589865845 /nfs/dbraw/zinc/86/58/45/589865845.db2.gz ULXCTFTZTXLQBX-RYUDHWBXSA-N 1 2 334.363 0.824 20 30 ECEDLO N#Cc1ccc(O[C@@H]2CCN(C(=O)/C=C\C[NH+]3CCOCC3)C2)nc1 ZINC000868513071 589910822 /nfs/dbraw/zinc/91/08/22/589910822.db2.gz AFKADGWHUJBLSW-STOZHHMFSA-N 1 2 342.399 0.821 20 30 ECEDLO N#Cc1cccc(CC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000870068590 589996698 /nfs/dbraw/zinc/99/66/98/589996698.db2.gz WXSBCNGGSPEOTN-QGZVFWFLSA-N 1 2 329.400 0.660 20 30 ECEDLO N#Cc1ccc(OCC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000870077482 589998523 /nfs/dbraw/zinc/99/85/23/589998523.db2.gz VPLSXSQEKHUTGY-KRWDZBQOSA-N 1 2 345.399 0.497 20 30 ECEDLO COC(=O)[C@]1(OC)CC[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000863298094 590000343 /nfs/dbraw/zinc/00/03/43/590000343.db2.gz QQQSOYKWNGHODJ-SFHVURJKSA-N 1 2 345.399 0.820 20 30 ECEDLO COC(=O)[C@]1(OC)CC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000863298094 590000344 /nfs/dbraw/zinc/00/03/44/590000344.db2.gz QQQSOYKWNGHODJ-SFHVURJKSA-N 1 2 345.399 0.820 20 30 ECEDLO N#Cc1ccc(N2CCN(C(=O)[C@H](O)c3c[nH+]c[nH]3)CC2)c(F)c1 ZINC000865095099 590124802 /nfs/dbraw/zinc/12/48/02/590124802.db2.gz KOUCIFRZCRJFKK-OAHLLOKOSA-N 1 2 329.335 0.803 20 30 ECEDLO CONC(=O)C1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCCC3)CC1 ZINC000872792519 590149225 /nfs/dbraw/zinc/14/92/25/590149225.db2.gz WAYUYURMRXRPJT-UHFFFAOYSA-N 1 2 344.415 0.946 20 30 ECEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(C#N)c1 ZINC000874346185 590232951 /nfs/dbraw/zinc/23/29/51/590232951.db2.gz PYQVJBFRMHPFKQ-OAHLLOKOSA-N 1 2 330.388 0.724 20 30 ECEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(C#N)c1 ZINC000874346185 590232954 /nfs/dbraw/zinc/23/29/54/590232954.db2.gz PYQVJBFRMHPFKQ-OAHLLOKOSA-N 1 2 330.388 0.724 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@]2(Cc3ccccc3)CCN(C)C2=O)CC1 ZINC000874467983 590243017 /nfs/dbraw/zinc/24/30/17/590243017.db2.gz ZKDQDEMYPBZGCR-HXUWFJFHSA-N 1 2 339.439 0.855 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](CCN3CCCS3(=O)=O)CC2)cc1 ZINC000879586809 590326362 /nfs/dbraw/zinc/32/63/62/590326362.db2.gz VSUHVHZJAQVXEM-UHFFFAOYSA-N 1 2 334.445 0.716 20 30 ECEDLO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000875864040 590341080 /nfs/dbraw/zinc/34/10/80/590341080.db2.gz NSKIUVSYMBCBDZ-HOTGVXAUSA-N 1 2 332.404 0.564 20 30 ECEDLO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000875864040 590341082 /nfs/dbraw/zinc/34/10/82/590341082.db2.gz NSKIUVSYMBCBDZ-HOTGVXAUSA-N 1 2 332.404 0.564 20 30 ECEDLO CN1CCC[C@H]2[C@@H]1CC[N@@H+]2CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000880143017 590371752 /nfs/dbraw/zinc/37/17/52/590371752.db2.gz XJXSKXHIXFAJDL-GJZGRUSLSA-N 1 2 334.445 0.895 20 30 ECEDLO CN1CCC[C@H]2[C@@H]1CC[N@H+]2CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000880143017 590371755 /nfs/dbraw/zinc/37/17/55/590371755.db2.gz XJXSKXHIXFAJDL-GJZGRUSLSA-N 1 2 334.445 0.895 20 30 ECEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]3CCNC(=O)[C@H]32)c1 ZINC000880531939 590400507 /nfs/dbraw/zinc/40/05/07/590400507.db2.gz YLBKHSCYOZHORQ-WBVHZDCISA-N 1 2 326.400 0.775 20 30 ECEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]3CCNC(=O)[C@H]32)c1 ZINC000880531939 590400510 /nfs/dbraw/zinc/40/05/10/590400510.db2.gz YLBKHSCYOZHORQ-WBVHZDCISA-N 1 2 326.400 0.775 20 30 ECEDLO N#Cc1ccccc1N1CCC(NC(=O)CN2CC[NH2+]CC2=O)CC1 ZINC000877175538 590443303 /nfs/dbraw/zinc/44/33/03/590443303.db2.gz KXOZKGGJTJGURC-UHFFFAOYSA-N 1 2 341.415 0.075 20 30 ECEDLO C#CC1(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCC1 ZINC000882535397 590560455 /nfs/dbraw/zinc/56/04/55/590560455.db2.gz DIRKCYXBRFCQIL-OAHLLOKOSA-N 1 2 333.432 0.229 20 30 ECEDLO C=C(C)C[C@H](NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)C(=O)OCC ZINC000882645031 590568827 /nfs/dbraw/zinc/56/88/27/590568827.db2.gz IGCTYZHDUKJFJO-STQMWFEESA-N 1 2 334.438 0.134 20 30 ECEDLO C=C(C)C[C@H](NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)C(=O)OCC ZINC000882645031 590568829 /nfs/dbraw/zinc/56/88/29/590568829.db2.gz IGCTYZHDUKJFJO-STQMWFEESA-N 1 2 334.438 0.134 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000800073656 590709797 /nfs/dbraw/zinc/70/97/97/590709797.db2.gz YQSVOXDOVVFJSK-VXGBXAGGSA-N 1 2 345.494 0.432 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2c[nH]nc2C(F)(F)F)C1 ZINC000885507989 590728771 /nfs/dbraw/zinc/72/87/71/590728771.db2.gz ASZFQOYQHYXZOE-VIFPVBQESA-N 1 2 336.339 0.804 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2c[nH]nc2C(F)(F)F)C1 ZINC000885507989 590728774 /nfs/dbraw/zinc/72/87/74/590728774.db2.gz ASZFQOYQHYXZOE-VIFPVBQESA-N 1 2 336.339 0.804 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc3c2COC3=O)C1 ZINC000885512415 590730315 /nfs/dbraw/zinc/73/03/15/590730315.db2.gz VRXKDKQYJRHBNU-LBPRGKRZSA-N 1 2 334.397 0.733 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc3c2COC3=O)C1 ZINC000885512415 590730318 /nfs/dbraw/zinc/73/03/18/590730318.db2.gz VRXKDKQYJRHBNU-LBPRGKRZSA-N 1 2 334.397 0.733 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000884129623 590750310 /nfs/dbraw/zinc/75/03/10/590750310.db2.gz LMKAHJOSNKGKRL-KGLIPLIRSA-N 1 2 337.420 0.437 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1nccn1CC(F)(F)F ZINC000884211807 590776678 /nfs/dbraw/zinc/77/66/78/590776678.db2.gz OIHKQNBVJBODIO-VIFPVBQESA-N 1 2 334.298 0.508 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1cccc2c1OCCCO2 ZINC000884307988 590800888 /nfs/dbraw/zinc/80/08/88/590800888.db2.gz BHZADNGRXCOMBN-ZDUSSCGKSA-N 1 2 334.372 0.911 20 30 ECEDLO CC1CC[NH+](CC(=O)N2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 ZINC000886205771 590812579 /nfs/dbraw/zinc/81/25/79/590812579.db2.gz YCTYGLFPGVGWAS-UKRRQHHQSA-N 1 2 325.434 0.115 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCSC2(CCOCC2)C1 ZINC000884379893 590816469 /nfs/dbraw/zinc/81/64/69/590816469.db2.gz MZQSZXKXUVUJSO-LBPRGKRZSA-N 1 2 328.434 0.558 20 30 ECEDLO C=CCC1(O)CC[NH+]([C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000886755969 590880481 /nfs/dbraw/zinc/88/04/81/590880481.db2.gz YHJYLMAHWMTPCC-KBPBESRZSA-N 1 2 344.477 0.423 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2nc([C@H]3CCCO3)n[nH]2)C1 ZINC000889319281 590974760 /nfs/dbraw/zinc/97/47/60/590974760.db2.gz XXWQDBDCRQLDJL-CHWSQXEVSA-N 1 2 332.408 0.553 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2nc([C@H]3CCCO3)n[nH]2)C1 ZINC000889319281 590974763 /nfs/dbraw/zinc/97/47/63/590974763.db2.gz XXWQDBDCRQLDJL-CHWSQXEVSA-N 1 2 332.408 0.553 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2n[nH]c([C@H]3CCCO3)n2)C1 ZINC000889319281 590974767 /nfs/dbraw/zinc/97/47/67/590974767.db2.gz XXWQDBDCRQLDJL-CHWSQXEVSA-N 1 2 332.408 0.553 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2n[nH]c([C@H]3CCCO3)n2)C1 ZINC000889319281 590974772 /nfs/dbraw/zinc/97/47/72/590974772.db2.gz XXWQDBDCRQLDJL-CHWSQXEVSA-N 1 2 332.408 0.553 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C#N)ccc2C)CC1 ZINC000932039761 611594878 /nfs/dbraw/zinc/59/48/78/611594878.db2.gz VSSPCRQIPWCEQF-UHFFFAOYSA-N 1 2 338.411 0.764 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C#N)ccc2C)CC1 ZINC000932039761 611594881 /nfs/dbraw/zinc/59/48/81/611594881.db2.gz VSSPCRQIPWCEQF-UHFFFAOYSA-N 1 2 338.411 0.764 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC(NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC000947661127 611639566 /nfs/dbraw/zinc/63/95/66/611639566.db2.gz KSWXYASFCLXPNO-UHFFFAOYSA-N 1 2 340.387 0.881 20 30 ECEDLO CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000937353475 608615643 /nfs/dbraw/zinc/61/56/43/608615643.db2.gz SHEPLVBGDNBGKA-JKSUJKDBSA-N 1 2 340.427 0.918 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@]3(CC)CCNC3=O)CC2)C1 ZINC000949389357 608665788 /nfs/dbraw/zinc/66/57/88/608665788.db2.gz ZHBYQFLJVJLGHE-SFHVURJKSA-N 1 2 333.432 0.229 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@]3(CC)CCNC3=O)CC2)C1 ZINC000949389357 608665790 /nfs/dbraw/zinc/66/57/90/608665790.db2.gz ZHBYQFLJVJLGHE-SFHVURJKSA-N 1 2 333.432 0.229 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000950050954 608959173 /nfs/dbraw/zinc/95/91/73/608959173.db2.gz CANHCFFQQOIJHP-MAUKXSAKSA-N 1 2 337.464 0.716 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3nccn3C)[C@H](C)C2)nn1 ZINC000947791306 611692420 /nfs/dbraw/zinc/69/24/20/611692420.db2.gz AWLRDCPAYRBPCU-KGLIPLIRSA-N 1 2 343.435 0.981 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3nccn3C)[C@H](C)C2)nn1 ZINC000947791306 611692424 /nfs/dbraw/zinc/69/24/24/611692424.db2.gz AWLRDCPAYRBPCU-KGLIPLIRSA-N 1 2 343.435 0.981 20 30 ECEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)s1)[C@@H]1C[N@H+](C)CCN1C ZINC000919988616 609669120 /nfs/dbraw/zinc/66/91/20/609669120.db2.gz HANXQGQWOLOSGG-JQWIXIFHSA-N 1 2 328.463 0.532 20 30 ECEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)s1)[C@@H]1C[N@@H+](C)CCN1C ZINC000919988616 609669121 /nfs/dbraw/zinc/66/91/21/609669121.db2.gz HANXQGQWOLOSGG-JQWIXIFHSA-N 1 2 328.463 0.532 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3cnsn3)n2CCOC)CC1 ZINC000909191405 609684882 /nfs/dbraw/zinc/68/48/82/609684882.db2.gz DIFYRJADFCQVSJ-UHFFFAOYSA-N 1 2 333.421 0.198 20 30 ECEDLO C[N@@H+]1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C[C@H]1CO ZINC000913544004 609689388 /nfs/dbraw/zinc/68/93/88/609689388.db2.gz UXGMLIPUCDNMTP-GJZGRUSLSA-N 1 2 346.406 0.659 20 30 ECEDLO C[N@H+]1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C[C@H]1CO ZINC000913544004 609689389 /nfs/dbraw/zinc/68/93/89/609689389.db2.gz UXGMLIPUCDNMTP-GJZGRUSLSA-N 1 2 346.406 0.659 20 30 ECEDLO C#CC[C@@H](NC(=O)c1cccn1CC[NH+]1CCOCC1)C(=O)OC ZINC000909889125 609699768 /nfs/dbraw/zinc/69/97/68/609699768.db2.gz HRSGCTVWEWRYKT-CQSZACIVSA-N 1 2 333.388 0.115 20 30 ECEDLO C#CC[NH+]1CCC(NC(=O)CN(C)c2ncnc3[nH]cnc32)CC1 ZINC000928656612 611707305 /nfs/dbraw/zinc/70/73/05/611707305.db2.gz CBFPORIDCUADPB-UHFFFAOYSA-N 1 2 327.392 0.003 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000938322419 609736006 /nfs/dbraw/zinc/73/60/06/609736006.db2.gz SIXXCCWKSWRWQI-LBPRGKRZSA-N 1 2 326.360 0.193 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000938387784 609769520 /nfs/dbraw/zinc/76/95/20/609769520.db2.gz ZHPKKYIXJAPCCA-INIZCTEOSA-N 1 2 336.395 0.893 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2coc(CN3CC[C@H](OC)C3)n2)C1 ZINC000923596422 609811223 /nfs/dbraw/zinc/81/12/23/609811223.db2.gz HASVBWIUGILBIH-GJZGRUSLSA-N 1 2 346.431 0.723 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2coc(CN3CC[C@H](OC)C3)n2)C1 ZINC000923596422 609811226 /nfs/dbraw/zinc/81/12/26/609811226.db2.gz HASVBWIUGILBIH-GJZGRUSLSA-N 1 2 346.431 0.723 20 30 ECEDLO COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)CC(C)(C)C#N)CC1 ZINC000914214153 609865392 /nfs/dbraw/zinc/86/53/92/609865392.db2.gz XAHMNIJYMYNBDY-GFCCVEGCSA-N 1 2 331.438 0.435 20 30 ECEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000911920873 609920337 /nfs/dbraw/zinc/92/03/37/609920337.db2.gz IVEJVVNSSZILRF-HZPDHXFCSA-N 1 2 326.437 0.775 20 30 ECEDLO COC(=O)[C@H]1CC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000917158797 609963282 /nfs/dbraw/zinc/96/32/82/609963282.db2.gz VROSJHKOIWHFEN-LBPRGKRZSA-N 1 2 326.356 0.915 20 30 ECEDLO COC(=O)[C@H]1CC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000917158797 609963283 /nfs/dbraw/zinc/96/32/83/609963283.db2.gz VROSJHKOIWHFEN-LBPRGKRZSA-N 1 2 326.356 0.915 20 30 ECEDLO C=CCn1cc(C(=O)N(C)[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC000938779579 609994292 /nfs/dbraw/zinc/99/42/92/609994292.db2.gz CQOIPQLNIQJNJP-CYBMUJFWSA-N 1 2 343.391 0.034 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000938941370 610053229 /nfs/dbraw/zinc/05/32/29/610053229.db2.gz WTQPVAAEXGHKMJ-CQSZACIVSA-N 1 2 340.387 0.846 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000939907786 610168474 /nfs/dbraw/zinc/16/84/74/610168474.db2.gz BNLVIMIBALBMOH-CQSZACIVSA-N 1 2 326.360 0.525 20 30 ECEDLO Cn1ncnc1CON=C(N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181850144 610182782 /nfs/dbraw/zinc/18/27/82/610182782.db2.gz XLCRKIWLXJKTAV-CQSZACIVSA-N 1 2 330.392 0.505 20 30 ECEDLO Cn1ncnc1CON=C(N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181850144 610182783 /nfs/dbraw/zinc/18/27/83/610182783.db2.gz XLCRKIWLXJKTAV-CQSZACIVSA-N 1 2 330.392 0.505 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@H](C)c3c(C)n[nH]c3C)CC2)C1 ZINC000941462488 610321122 /nfs/dbraw/zinc/32/11/22/610321122.db2.gz BBGBKRAIWWKXLT-AWEZNQCLSA-N 1 2 343.475 0.982 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3nnc4ccccc4n3)CC2)C1 ZINC000941489274 610339847 /nfs/dbraw/zinc/33/98/47/610339847.db2.gz DKJCXKFGSBOGGJ-UHFFFAOYSA-N 1 2 336.399 0.100 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCc3ccnc(C)n3)CC2)C1 ZINC000941502188 610345771 /nfs/dbraw/zinc/34/57/71/610345771.db2.gz LQRRWCDCOORWCG-UHFFFAOYSA-N 1 2 341.459 0.569 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000941509551 610350010 /nfs/dbraw/zinc/35/00/10/610350010.db2.gz QNQOTIDOKKAMFK-UHFFFAOYSA-N 1 2 339.439 0.626 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(C)nc(OC)c3)CC2)C1 ZINC000941536655 610366694 /nfs/dbraw/zinc/36/66/94/610366694.db2.gz ACKWBEHFBMMMNZ-UHFFFAOYSA-N 1 2 342.443 0.864 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC34CC(OCC)C4)CC2)C1 ZINC000941564172 610384463 /nfs/dbraw/zinc/38/44/63/610384463.db2.gz ATIUGKBIHRITKK-TVRKMHQQSA-N 1 2 331.460 0.653 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)C1 ZINC000941606889 610405078 /nfs/dbraw/zinc/40/50/78/610405078.db2.gz GQJOXPLVILTGRM-UHFFFAOYSA-N 1 2 349.438 0.948 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cncnc3C3CC3)CC2)C1 ZINC000941654708 610430123 /nfs/dbraw/zinc/43/01/23/610430123.db2.gz LXNBVDVZKKDCSL-UHFFFAOYSA-N 1 2 339.443 0.819 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(NC(N)=O)cc3)CC2)C1 ZINC000941657584 610431597 /nfs/dbraw/zinc/43/15/97/610431597.db2.gz BXPSMKKICSYKQY-UHFFFAOYSA-N 1 2 341.415 0.252 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CN3CCCCCC3=O)CC2)C1 ZINC000941660071 610433676 /nfs/dbraw/zinc/43/36/76/610433676.db2.gz FLZWPIJSFZNVQQ-UHFFFAOYSA-N 1 2 346.475 0.241 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)n3nc(C)cc3C)CC2)C1 ZINC000941682045 610461184 /nfs/dbraw/zinc/46/11/84/610461184.db2.gz CWUMSSYIEHZMEK-QGZVFWFLSA-N 1 2 343.475 0.913 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc4n(c3)CCCC4)CC2)C1 ZINC000941698669 610468728 /nfs/dbraw/zinc/46/87/28/610468728.db2.gz UWCDWRDKVZXTGZ-UHFFFAOYSA-N 1 2 326.444 0.900 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3cn(C)nn3)C[C@H]2C)c1 ZINC000942617503 610539806 /nfs/dbraw/zinc/53/98/06/610539806.db2.gz QCFBHXLSMOVEMI-DYVFJYSZSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nn3)C[C@H]2C)c1 ZINC000942617503 610539808 /nfs/dbraw/zinc/53/98/08/610539808.db2.gz QCFBHXLSMOVEMI-DYVFJYSZSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)cn1 ZINC000941930086 610567432 /nfs/dbraw/zinc/56/74/32/610567432.db2.gz GSAVHVPZZMQHLW-OAHLLOKOSA-N 1 2 337.383 0.668 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000942984738 610711022 /nfs/dbraw/zinc/71/10/22/610711022.db2.gz DOBDGQLAZZNYSL-OAGGEKHMSA-N 1 2 346.431 0.993 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(C(C)C)n(C)n3)CC2)C1 ZINC000941404982 610721223 /nfs/dbraw/zinc/72/12/23/610721223.db2.gz XAUIHADXZRIYEZ-UHFFFAOYSA-N 1 2 329.448 0.619 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3ccncc3C)CC2)C1 ZINC000941408659 610722874 /nfs/dbraw/zinc/72/28/74/610722874.db2.gz OUYVKRRZJUSXFP-UHFFFAOYSA-N 1 2 326.444 0.784 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(C1)CCN(C(=O)Cc1c[nH+]cn1C)CC2 ZINC000944397584 610855411 /nfs/dbraw/zinc/85/54/11/610855411.db2.gz OFLVDOIUGBNJQI-AWEZNQCLSA-N 1 2 343.431 0.963 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ncccn3)C[C@@H]2C)nn1 ZINC000943481978 610868854 /nfs/dbraw/zinc/86/88/54/610868854.db2.gz MRIJLMBUZASKRK-UONOGXRCSA-N 1 2 341.419 0.895 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ncccn3)C[C@@H]2C)nn1 ZINC000943481978 610868855 /nfs/dbraw/zinc/86/88/55/610868855.db2.gz MRIJLMBUZASKRK-UONOGXRCSA-N 1 2 341.419 0.895 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)CCc1[nH+]ccn1C)CC2 ZINC000945001573 610876330 /nfs/dbraw/zinc/87/63/30/610876330.db2.gz PEXQCRVSLQGPJD-CQSZACIVSA-N 1 2 343.431 0.963 20 30 ECEDLO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945280193 610995071 /nfs/dbraw/zinc/99/50/71/610995071.db2.gz NUQJJUJATWMNPI-IUODEOHRSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000944659782 611075999 /nfs/dbraw/zinc/07/59/99/611075999.db2.gz UYPVPVXOFGATMP-AAEUAGOBSA-N 1 2 341.371 0.680 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)Cc2c[nH]c[nH+]2)[nH]1 ZINC000946327254 611220296 /nfs/dbraw/zinc/22/02/96/611220296.db2.gz RRWXJCHZJMCDQC-RISCZKNCSA-N 1 2 340.387 0.867 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)Cc2c[nH]c[nH+]2)[nH]1 ZINC000946327252 611220321 /nfs/dbraw/zinc/22/03/21/611220321.db2.gz RRWXJCHZJMCDQC-FZMZJTMJSA-N 1 2 340.387 0.867 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)N(C)C)o2)C1 ZINC000923585040 611271338 /nfs/dbraw/zinc/27/13/38/611271338.db2.gz YWLHJJOPPKTBPI-GFCCVEGCSA-N 1 2 339.417 0.357 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)N(C)C)o2)C1 ZINC000923585040 611271340 /nfs/dbraw/zinc/27/13/40/611271340.db2.gz YWLHJJOPPKTBPI-GFCCVEGCSA-N 1 2 339.417 0.357 20 30 ECEDLO C#CC[C@H](CO)NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000923631108 611332639 /nfs/dbraw/zinc/33/26/39/611332639.db2.gz ICKCDYKUJVKZPY-CQSZACIVSA-N 1 2 334.445 0.818 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3nncn3C)[C@@H](C)C2)nc1 ZINC000947948637 611752578 /nfs/dbraw/zinc/75/25/78/611752578.db2.gz OQMSLEREMDNYTL-DZGCQCFKSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nncn3C)[C@@H](C)C2)nc1 ZINC000947948637 611752579 /nfs/dbraw/zinc/75/25/79/611752579.db2.gz OQMSLEREMDNYTL-DZGCQCFKSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)nc1 ZINC000950776955 611904425 /nfs/dbraw/zinc/90/44/25/611904425.db2.gz KVEUYSZXECHJIH-RBSFLKMASA-N 1 2 349.394 0.920 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)nc1 ZINC000950776955 611904427 /nfs/dbraw/zinc/90/44/27/611904427.db2.gz KVEUYSZXECHJIH-RBSFLKMASA-N 1 2 349.394 0.920 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cn1cc[nH+]c1 ZINC000950235700 611920233 /nfs/dbraw/zinc/92/02/33/611920233.db2.gz YFSBRBUHNJDQGK-ZNMIVQPWSA-N 1 2 332.404 0.581 20 30 ECEDLO CCN1CC[C@H]([N@@H+]2CCOC3(CCN(C(=O)[C@@H](C)C#N)CC3)C2)C1=O ZINC000949320628 611938441 /nfs/dbraw/zinc/93/84/41/611938441.db2.gz QSKDKBNRBDZWMF-GJZGRUSLSA-N 1 2 348.447 0.460 20 30 ECEDLO CCN1CC[C@H]([N@H+]2CCOC3(CCN(C(=O)[C@@H](C)C#N)CC3)C2)C1=O ZINC000949320628 611938444 /nfs/dbraw/zinc/93/84/44/611938444.db2.gz QSKDKBNRBDZWMF-GJZGRUSLSA-N 1 2 348.447 0.460 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N1CCC2(CC1)CN(CC#N)CCO2 ZINC000949395110 611963117 /nfs/dbraw/zinc/96/31/17/611963117.db2.gz NECDXIZGHOXHNG-UHFFFAOYSA-N 1 2 344.415 0.850 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@]3(C)CCC(=O)NC3)CC2)C1 ZINC000949447513 611983717 /nfs/dbraw/zinc/98/37/17/611983717.db2.gz SDLDNLHFUNFVES-QGZVFWFLSA-N 1 2 333.432 0.229 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@]3(C)CCC(=O)NC3)CC2)C1 ZINC000949447513 611983719 /nfs/dbraw/zinc/98/37/19/611983719.db2.gz SDLDNLHFUNFVES-QGZVFWFLSA-N 1 2 333.432 0.229 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)C1 ZINC000949473259 611993119 /nfs/dbraw/zinc/99/31/19/611993119.db2.gz ZDDDSBNRTUCNMW-CABCVRRESA-N 1 2 333.432 0.215 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)C1 ZINC000949473259 611993120 /nfs/dbraw/zinc/99/31/20/611993120.db2.gz ZDDDSBNRTUCNMW-CABCVRRESA-N 1 2 333.432 0.215 20 30 ECEDLO C#CCN1CC(N(CC)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000950956722 612000181 /nfs/dbraw/zinc/00/01/81/612000181.db2.gz BOVMZYGTPPKBQG-SJORKVTESA-N 1 2 335.448 0.032 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cn(CC=C)nn3)CC2)C1 ZINC000949489978 612002915 /nfs/dbraw/zinc/00/29/15/612002915.db2.gz VQRZIYWHMKJSEC-UHFFFAOYSA-N 1 2 329.404 0.404 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cn(CC=C)nn3)CC2)C1 ZINC000949489978 612002918 /nfs/dbraw/zinc/00/29/18/612002918.db2.gz VQRZIYWHMKJSEC-UHFFFAOYSA-N 1 2 329.404 0.404 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[NH+](Cc3ccn(C)c(=O)c3)CC2)c1 ZINC000950406849 612003199 /nfs/dbraw/zinc/00/31/99/612003199.db2.gz MOXWQCAAXGAYNS-UHFFFAOYSA-N 1 2 336.395 0.720 20 30 ECEDLO CC(C)(C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1)c1c[nH+]c[nH]1 ZINC000949491238 612003949 /nfs/dbraw/zinc/00/39/49/612003949.db2.gz NGVZZCSQUBLAGA-CYBMUJFWSA-N 1 2 340.387 0.918 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C(=O)N3CC[C@@H](C)C3)CC2)C1 ZINC000949506174 612013150 /nfs/dbraw/zinc/01/31/50/612013150.db2.gz FMLQUFOGOVIJGT-OAHLLOKOSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C(=O)N3CC[C@@H](C)C3)CC2)C1 ZINC000949506174 612013151 /nfs/dbraw/zinc/01/31/51/612013151.db2.gz FMLQUFOGOVIJGT-OAHLLOKOSA-N 1 2 333.432 0.181 20 30 ECEDLO O=C(C#CC1CC1)N1[C@@H]2CCC[C@H]1CN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC000952777580 612097559 /nfs/dbraw/zinc/09/75/59/612097559.db2.gz XXAKDIWOMHVFFV-GASCZTMLSA-N 1 2 326.400 0.958 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000952926051 612127710 /nfs/dbraw/zinc/12/77/10/612127710.db2.gz FHVWWJIPYAIYRG-KSSFIOAISA-N 1 2 343.431 0.963 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000953197382 612200770 /nfs/dbraw/zinc/20/07/70/612200770.db2.gz UTVCDXPVLMYFJC-WMLDXEAASA-N 1 2 329.404 0.884 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC000953370135 612277108 /nfs/dbraw/zinc/27/71/08/612277108.db2.gz OTQKIWBYONTGLT-CVEARBPZSA-N 1 2 326.400 0.746 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000955204680 612348812 /nfs/dbraw/zinc/34/88/12/612348812.db2.gz AHIRYGQAPFTGOA-LBPRGKRZSA-N 1 2 338.371 0.710 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000953876573 612379807 /nfs/dbraw/zinc/37/98/07/612379807.db2.gz AONOTZTXRVYQJV-UHFFFAOYSA-N 1 2 340.387 0.915 20 30 ECEDLO CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CN(C(=O)C#CC2CC2)C1 ZINC000954607609 612444681 /nfs/dbraw/zinc/44/46/81/612444681.db2.gz ZYZRRFRAABTVIN-CQSZACIVSA-N 1 2 326.400 0.528 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000954667378 612517427 /nfs/dbraw/zinc/51/74/27/612517427.db2.gz FDTUWXFEVFEFNR-CABCVRRESA-N 1 2 332.404 0.534 20 30 ECEDLO C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000956833661 612604918 /nfs/dbraw/zinc/60/49/18/612604918.db2.gz ZEKYCBIIHBMBKE-KRWDZBQOSA-N 1 2 340.387 0.963 20 30 ECEDLO C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000956833661 612604922 /nfs/dbraw/zinc/60/49/22/612604922.db2.gz ZEKYCBIIHBMBKE-KRWDZBQOSA-N 1 2 340.387 0.963 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000955617918 612710210 /nfs/dbraw/zinc/71/02/10/612710210.db2.gz JIDGESZSNLEMNQ-AAEUAGOBSA-N 1 2 340.387 0.961 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000956110100 612715614 /nfs/dbraw/zinc/71/56/14/612715614.db2.gz QQZHHGOSTJDNEG-AWEZNQCLSA-N 1 2 340.387 0.583 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)CC3(O)CCC3)C2)CC1 ZINC000956605374 612924601 /nfs/dbraw/zinc/92/46/01/612924601.db2.gz KCJZFKJFDFDPRS-CABCVRRESA-N 1 2 348.447 0.196 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)COC)C2)CC1 ZINC000956606999 612925154 /nfs/dbraw/zinc/92/51/54/612925154.db2.gz XRQNJYVFJKODDI-CRAIPNDOSA-N 1 2 337.464 0.980 20 30 ECEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cncc(C#N)n1 ZINC001164697988 719844928 /nfs/dbraw/zinc/84/49/28/719844928.db2.gz DDOZQZKIGQHVQS-RHSMWYFYSA-N 1 2 345.403 0.581 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc4c([nH]c3=O)CCC4)[C@H]2C1 ZINC001083275483 738486959 /nfs/dbraw/zinc/48/69/59/738486959.db2.gz GSYHMJNVMPBPBD-JKSUJKDBSA-N 1 2 327.384 0.434 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4c([nH]c3=O)CCC4)[C@H]2C1 ZINC001083275483 738486960 /nfs/dbraw/zinc/48/69/60/738486960.db2.gz GSYHMJNVMPBPBD-JKSUJKDBSA-N 1 2 327.384 0.434 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3csc4nccn34)[C@H]2C1 ZINC001083276693 738546858 /nfs/dbraw/zinc/54/68/58/738546858.db2.gz QTCOCLRILVUCTC-UONOGXRCSA-N 1 2 330.413 0.483 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3csc4nccn34)[C@H]2C1 ZINC001083276693 738546861 /nfs/dbraw/zinc/54/68/61/738546861.db2.gz QTCOCLRILVUCTC-UONOGXRCSA-N 1 2 330.413 0.483 20 30 ECEDLO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1C[NH+](CC(=O)NC2CCCC2)C1 ZINC000969513247 731940124 /nfs/dbraw/zinc/94/01/24/731940124.db2.gz BEKQFAWCIKZYLT-LBPRGKRZSA-N 1 2 343.431 0.995 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cn(CCC(C)C)nn3)[C@H]2C1 ZINC001083190890 731988248 /nfs/dbraw/zinc/98/82/48/731988248.db2.gz CNBLLDCVATXRBB-DLBZAZTESA-N 1 2 345.447 0.873 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cn(CCC(C)C)nn3)[C@H]2C1 ZINC001083190890 731988251 /nfs/dbraw/zinc/98/82/51/731988251.db2.gz CNBLLDCVATXRBB-DLBZAZTESA-N 1 2 345.447 0.873 20 30 ECEDLO C[C@H](NC(=O)[C@H]1COC(=O)N1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969596392 731989279 /nfs/dbraw/zinc/98/92/79/731989279.db2.gz UYEJJVDARFTQMA-ZUZCIYMTSA-N 1 2 346.362 0.742 20 30 ECEDLO C[C@H](NC(=O)[C@H]1COC(=O)N1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969593521 731991865 /nfs/dbraw/zinc/99/18/65/731991865.db2.gz GTRBFLFTBBQJSA-ZUZCIYMTSA-N 1 2 346.362 0.742 20 30 ECEDLO Cn1nncc1C[N@@H+]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC000973052423 738586968 /nfs/dbraw/zinc/58/69/68/738586968.db2.gz PTGQSASWIUXQEX-AWEZNQCLSA-N 1 2 327.392 0.655 20 30 ECEDLO Cn1nncc1C[N@H+]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC000973052423 738586972 /nfs/dbraw/zinc/58/69/72/738586972.db2.gz PTGQSASWIUXQEX-AWEZNQCLSA-N 1 2 327.392 0.655 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@@H](n2ccnn2)C1 ZINC001069983948 790278474 /nfs/dbraw/zinc/27/84/74/790278474.db2.gz WNDBHVZWIAAVAR-KDNLLOOPSA-N 1 2 341.415 0.066 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@@H](n2ccnn2)C1 ZINC001069983948 790278479 /nfs/dbraw/zinc/27/84/79/790278479.db2.gz WNDBHVZWIAAVAR-KDNLLOOPSA-N 1 2 341.415 0.066 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC)C2)nn1 ZINC001098598161 738643147 /nfs/dbraw/zinc/64/31/47/738643147.db2.gz ANOLPKVRBBVZCB-TZMCWYRMSA-N 1 2 334.424 0.242 20 30 ECEDLO C#CC[N@@H+](CCO)C1CCN(C(=O)c2ccc3oc(=O)nc-3[nH]2)CC1 ZINC001098532966 733056177 /nfs/dbraw/zinc/05/61/77/733056177.db2.gz MUHOANWFZYNWSM-UHFFFAOYSA-N 1 2 344.371 0.461 20 30 ECEDLO C#CC[N@H+](CCO)C1CCN(C(=O)c2ccc3oc(=O)nc-3[nH]2)CC1 ZINC001098532966 733056178 /nfs/dbraw/zinc/05/61/78/733056178.db2.gz MUHOANWFZYNWSM-UHFFFAOYSA-N 1 2 344.371 0.461 20 30 ECEDLO N#CCN1CC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C2)C1 ZINC001041839787 782318427 /nfs/dbraw/zinc/31/84/27/782318427.db2.gz QTZCQWDWOZSZJO-SJLPKXTDSA-N 1 2 332.448 0.545 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nn(C)cc3Cl)C2)nn1 ZINC000970205465 733198364 /nfs/dbraw/zinc/19/83/64/733198364.db2.gz LQONTXQGBASYCK-LLVKDONJSA-N 1 2 349.826 0.855 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nc(CC)no3)C2)nn1 ZINC000970205414 733198460 /nfs/dbraw/zinc/19/84/60/733198460.db2.gz JQCOTDHLOTVITG-LLVKDONJSA-N 1 2 331.380 0.414 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3nc(COC)no3)C2)nc1 ZINC000970518192 733636192 /nfs/dbraw/zinc/63/61/92/733636192.db2.gz JKBGZAPOTVQAES-CYBMUJFWSA-N 1 2 341.371 0.597 20 30 ECEDLO CC(C)N(CCN(C)c1ccc(C#N)cn1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125439474 734075986 /nfs/dbraw/zinc/07/59/86/734075986.db2.gz OVJGQQWFUHVVMD-INIZCTEOSA-N 1 2 345.447 0.957 20 30 ECEDLO CC(C)N(CCN(C)c1ccc(C#N)cn1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125439474 734075988 /nfs/dbraw/zinc/07/59/88/734075988.db2.gz OVJGQQWFUHVVMD-INIZCTEOSA-N 1 2 345.447 0.957 20 30 ECEDLO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC000971160087 734325243 /nfs/dbraw/zinc/32/52/43/734325243.db2.gz GXAQSWUNROOZSB-HNNXBMFYSA-N 1 2 335.429 0.636 20 30 ECEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC000971160087 734325246 /nfs/dbraw/zinc/32/52/46/734325246.db2.gz GXAQSWUNROOZSB-HNNXBMFYSA-N 1 2 335.429 0.636 20 30 ECEDLO N#Cc1cccnc1N1CCO[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001104338033 734436189 /nfs/dbraw/zinc/43/61/89/734436189.db2.gz LHDRFCDUXAWNJI-HNNXBMFYSA-N 1 2 340.387 0.561 20 30 ECEDLO N#Cc1cccnc1N1CCO[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001104353214 734597427 /nfs/dbraw/zinc/59/74/27/734597427.db2.gz RNUCNZQFCXEUHO-HNNXBMFYSA-N 1 2 340.387 0.631 20 30 ECEDLO N#Cc1cccnc1N1CCO[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001104353214 734597429 /nfs/dbraw/zinc/59/74/29/734597429.db2.gz RNUCNZQFCXEUHO-HNNXBMFYSA-N 1 2 340.387 0.631 20 30 ECEDLO C=CCn1cccc1C(=O)N1CC[C@H]([N@@H+](C)Cc2nc(=O)n(C)[nH]2)C1 ZINC000971687086 734951676 /nfs/dbraw/zinc/95/16/76/734951676.db2.gz ITWNBDWSAOYXBK-ZDUSSCGKSA-N 1 2 344.419 0.442 20 30 ECEDLO C=CCn1cccc1C(=O)N1CC[C@H]([N@H+](C)Cc2nc(=O)n(C)[nH]2)C1 ZINC000971687086 734951679 /nfs/dbraw/zinc/95/16/79/734951679.db2.gz ITWNBDWSAOYXBK-ZDUSSCGKSA-N 1 2 344.419 0.442 20 30 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UCSKKRPSVSOGIQ-SFHVURJKSA-N 1 2 330.432 0.679 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CN3CCCCCC3=O)C2)C1 ZINC000972668192 737306020 /nfs/dbraw/zinc/30/60/20/737306020.db2.gz VSYWBIILIQKDSX-IBGZPJMESA-N 1 2 347.459 0.716 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CN3CCCCCC3=O)C2)C1 ZINC000972668192 737306024 /nfs/dbraw/zinc/30/60/24/737306024.db2.gz VSYWBIILIQKDSX-IBGZPJMESA-N 1 2 347.459 0.716 20 30 ECEDLO C#CCCN1CCO[C@@]2(CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000972675623 737348405 /nfs/dbraw/zinc/34/84/05/737348405.db2.gz CSDWIYZYTDOOOG-MJGOQNOKSA-N 1 2 349.475 0.281 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nncn4C3)C2)C1 ZINC000972686678 737378541 /nfs/dbraw/zinc/37/85/41/737378541.db2.gz BLHOUIBEIKUGAF-QAPCUYQASA-N 1 2 343.431 0.167 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nncn4C3)C2)C1 ZINC000972686678 737378542 /nfs/dbraw/zinc/37/85/42/737378542.db2.gz BLHOUIBEIKUGAF-QAPCUYQASA-N 1 2 343.431 0.167 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CCCCC3=O)C2)C1 ZINC000972688850 737386050 /nfs/dbraw/zinc/38/60/50/737386050.db2.gz RAXPHHBEJLFSSD-YJBOKZPZSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CCCCC3=O)C2)C1 ZINC000972688850 737386054 /nfs/dbraw/zinc/38/60/54/737386054.db2.gz RAXPHHBEJLFSSD-YJBOKZPZSA-N 1 2 333.432 0.324 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2nnc[nH]2)C1=O ZINC001024718589 738247186 /nfs/dbraw/zinc/24/71/86/738247186.db2.gz WPDKTKHKQNUKKS-STQMWFEESA-N 1 2 332.408 0.176 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2CNC(=O)c2nnc[nH]2)C1=O ZINC001024718589 738247190 /nfs/dbraw/zinc/24/71/90/738247190.db2.gz WPDKTKHKQNUKKS-STQMWFEESA-N 1 2 332.408 0.176 20 30 ECEDLO C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001024778539 738285687 /nfs/dbraw/zinc/28/56/87/738285687.db2.gz WZNKYASXFYQKOU-ZIAGYGMSSA-N 1 2 332.404 0.007 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2cnnn2CC)nn1 ZINC001028188175 751422503 /nfs/dbraw/zinc/42/25/03/751422503.db2.gz VUTIPXJCJRZDGJ-CYBMUJFWSA-N 1 2 344.423 0.470 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cnnn2CC)nn1 ZINC001028188175 751422506 /nfs/dbraw/zinc/42/25/06/751422506.db2.gz VUTIPXJCJRZDGJ-CYBMUJFWSA-N 1 2 344.423 0.470 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3ccnnc3)CC2)C1=O ZINC000982020624 751482426 /nfs/dbraw/zinc/48/24/26/751482426.db2.gz AKGYJZRIPXUVKZ-HNNXBMFYSA-N 1 2 329.404 0.411 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3ccnnc3)CC2)C1=O ZINC000982020624 751482428 /nfs/dbraw/zinc/48/24/28/751482428.db2.gz AKGYJZRIPXUVKZ-HNNXBMFYSA-N 1 2 329.404 0.411 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc4onc(CC)c4c3)[C@H]2C1 ZINC001083284937 739803992 /nfs/dbraw/zinc/80/39/92/739803992.db2.gz XZEREKANCQGPAH-JKSUJKDBSA-N 1 2 340.383 0.944 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc4onc(CC)c4c3)[C@H]2C1 ZINC001083284937 739803995 /nfs/dbraw/zinc/80/39/95/739803995.db2.gz XZEREKANCQGPAH-JKSUJKDBSA-N 1 2 340.383 0.944 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775357 739943412 /nfs/dbraw/zinc/94/34/12/739943412.db2.gz RVVSJJIVJWPZGF-LJIZCISZSA-N 1 2 344.346 0.909 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775357 739943415 /nfs/dbraw/zinc/94/34/15/739943415.db2.gz RVVSJJIVJWPZGF-LJIZCISZSA-N 1 2 344.346 0.909 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc3n2CCCC3)[C@@H](n2ccnn2)C1 ZINC001070006081 790306100 /nfs/dbraw/zinc/30/61/00/790306100.db2.gz CICKMFBKZAXALA-HIFRSBDPSA-N 1 2 339.403 0.099 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3n2CCCC3)[C@@H](n2ccnn2)C1 ZINC001070006081 790306108 /nfs/dbraw/zinc/30/61/08/790306108.db2.gz CICKMFBKZAXALA-HIFRSBDPSA-N 1 2 339.403 0.099 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)n3nc(C)cc3C)[C@H]2C1 ZINC001083289217 740316227 /nfs/dbraw/zinc/31/62/27/740316227.db2.gz ZELUWKIXLNFNBH-YESZJQIVSA-N 1 2 330.432 0.996 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)n3nc(C)cc3C)[C@H]2C1 ZINC001083289217 740316231 /nfs/dbraw/zinc/31/62/31/740316231.db2.gz ZELUWKIXLNFNBH-YESZJQIVSA-N 1 2 330.432 0.996 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)nc1 ZINC000974327216 741326932 /nfs/dbraw/zinc/32/69/32/741326932.db2.gz PPLUMVUDCZYNSV-OKILXGFUSA-N 1 2 337.383 0.416 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3nc(C)c[nH]3)CC2)C1=O ZINC000982139135 751632319 /nfs/dbraw/zinc/63/23/19/751632319.db2.gz KXCWQYOJCJMWAQ-CQSZACIVSA-N 1 2 331.420 0.653 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3nc(C)c[nH]3)CC2)C1=O ZINC000982139135 751632320 /nfs/dbraw/zinc/63/23/20/751632320.db2.gz KXCWQYOJCJMWAQ-CQSZACIVSA-N 1 2 331.420 0.653 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)CCC3CC3)C2)nn1 ZINC001105194931 741459852 /nfs/dbraw/zinc/45/98/52/741459852.db2.gz QEPVXDPIHZQALL-UHFFFAOYSA-N 1 2 331.420 0.591 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c(Cl)cnn3CC)C2)nn1 ZINC001105249450 741555088 /nfs/dbraw/zinc/55/50/88/741555088.db2.gz VEBSTDVOZQYIQC-UHFFFAOYSA-N 1 2 347.810 0.568 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3cnn(C)c3C)C2)nn1 ZINC001105259940 741583268 /nfs/dbraw/zinc/58/32/68/741583268.db2.gz SYSAAPNBCIIRQF-UHFFFAOYSA-N 1 2 341.419 0.059 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(C)c3CCC)C2)nn1 ZINC001105276495 741629952 /nfs/dbraw/zinc/62/99/52/741629952.db2.gz LGZCDELOQUSZQL-UHFFFAOYSA-N 1 2 341.419 0.384 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccc4nccn43)C2)nn1 ZINC001105280831 741636310 /nfs/dbraw/zinc/63/63/10/741636310.db2.gz FUCFWZXYFBOFDH-UHFFFAOYSA-N 1 2 349.398 0.736 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CC[C@H](C4CC4)O3)C2)nn1 ZINC001105288133 741648562 /nfs/dbraw/zinc/64/85/62/741648562.db2.gz GAKITKRZBKYWPQ-DLBZAZTESA-N 1 2 343.431 0.732 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccnc4ccncc43)C2)nn1 ZINC001105289590 741653146 /nfs/dbraw/zinc/65/31/46/741653146.db2.gz GCDIYNLXPNSJEZ-UHFFFAOYSA-N 1 2 347.382 0.641 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCn3nc(C)cc3C)C2)nn1 ZINC001105295023 741667208 /nfs/dbraw/zinc/66/72/08/741667208.db2.gz UUZIYTCCSWBCRD-UHFFFAOYSA-N 1 2 341.419 0.288 20 30 ECEDLO C#CCC[NH2+]Cc1cn(C2CN(C(=O)c3cccc4n[nH]cc43)C2)nn1 ZINC001105297949 741676558 /nfs/dbraw/zinc/67/65/58/741676558.db2.gz YVBJHDDDEGWTOZ-UHFFFAOYSA-N 1 2 349.398 0.964 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001058728111 741686219 /nfs/dbraw/zinc/68/62/19/741686219.db2.gz KLLFTWLYFUAOIH-KRWDZBQOSA-N 1 2 336.436 0.800 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(=O)NC)nn2)C1 ZINC001105309825 741718945 /nfs/dbraw/zinc/71/89/45/741718945.db2.gz DCBABPRYBSDHIJ-STQMWFEESA-N 1 2 348.451 0.488 20 30 ECEDLO C=CCCCC(=O)N1CC(n2cc(C[NH2+][C@H](C)C(=O)N(C)C)nn2)C1 ZINC001105317401 741752336 /nfs/dbraw/zinc/75/23/36/741752336.db2.gz WZFDTSRXEPJXBF-CYBMUJFWSA-N 1 2 348.451 0.584 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3cn(C)nc3Cl)C2)nn1 ZINC001105326710 741810000 /nfs/dbraw/zinc/81/00/00/741810000.db2.gz COTGHPDWXNGUHA-UHFFFAOYSA-N 1 2 347.810 0.014 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccncc3Cl)C2)nn1 ZINC001105332112 741842871 /nfs/dbraw/zinc/84/28/71/741842871.db2.gz XDUPKPZQWDYAOM-UHFFFAOYSA-N 1 2 330.779 0.746 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2C[N@@H+](Cc3cnnn3C)CC2(C)C)c1 ZINC000975009505 742445116 /nfs/dbraw/zinc/44/51/16/742445116.db2.gz FZMLAGZQFMBFLX-INIZCTEOSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2C[N@H+](Cc3cnnn3C)CC2(C)C)c1 ZINC000975009505 742445119 /nfs/dbraw/zinc/44/51/19/742445119.db2.gz FZMLAGZQFMBFLX-INIZCTEOSA-N 1 2 338.415 0.832 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)no1 ZINC001083322864 751767448 /nfs/dbraw/zinc/76/74/48/751767448.db2.gz DDAXISWBZBNFKS-CVEARBPZSA-N 1 2 326.356 0.830 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)no1 ZINC001083322864 751767456 /nfs/dbraw/zinc/76/74/56/751767456.db2.gz DDAXISWBZBNFKS-CVEARBPZSA-N 1 2 326.356 0.830 20 30 ECEDLO COCCN(CCNC(=O)CCn1cc[nH+]c1)c1ccc(C#N)nn1 ZINC001126451182 742856509 /nfs/dbraw/zinc/85/65/09/742856509.db2.gz QNGSAVFJUVREFK-UHFFFAOYSA-N 1 2 343.391 0.204 20 30 ECEDLO C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261942682 742911392 /nfs/dbraw/zinc/91/13/92/742911392.db2.gz DVYCKDZWTKZLOW-BBWFWOEESA-N 1 2 345.495 0.341 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCc2ccco2)[C@H](OC)C1 ZINC001211845301 743147080 /nfs/dbraw/zinc/14/70/80/743147080.db2.gz UVCCOAVWOIOSMK-NUEKZKHPSA-N 1 2 349.431 0.718 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2ccco2)[C@H](OC)C1 ZINC001211845301 743147082 /nfs/dbraw/zinc/14/70/82/743147082.db2.gz UVCCOAVWOIOSMK-NUEKZKHPSA-N 1 2 349.431 0.718 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)nc1 ZINC000997093616 743226387 /nfs/dbraw/zinc/22/63/87/743226387.db2.gz PQODXBJRQZWVHZ-LBPRGKRZSA-N 1 2 337.383 0.605 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)nc1 ZINC000997093616 743226394 /nfs/dbraw/zinc/22/63/94/743226394.db2.gz PQODXBJRQZWVHZ-LBPRGKRZSA-N 1 2 337.383 0.605 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)nc1 ZINC000997094334 743228078 /nfs/dbraw/zinc/22/80/78/743228078.db2.gz YGWNZLSFOUFSBO-HUUCEWRRSA-N 1 2 349.394 0.541 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)CCc3c[nH+]cn3C)C2)cn1 ZINC000997102622 743238812 /nfs/dbraw/zinc/23/88/12/743238812.db2.gz UVVWIJZDHVMBER-UHFFFAOYSA-N 1 2 337.383 0.370 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC(NC(=O)Cc3[nH]c[nH+]c3C)C2)nn1 ZINC000997242574 743396286 /nfs/dbraw/zinc/39/62/86/743396286.db2.gz JMNNKUSHJMHFRM-UHFFFAOYSA-N 1 2 343.391 0.069 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H](C)C2CC[NH+](Cc3cnon3)CC2)nn1 ZINC000997337320 743503953 /nfs/dbraw/zinc/50/39/53/743503953.db2.gz LFJFOQWRPZRTDL-GFCCVEGCSA-N 1 2 345.407 0.878 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)cn1 ZINC000976911851 744487918 /nfs/dbraw/zinc/48/79/18/744487918.db2.gz LZCKDPKUKHPGLU-HALDLXJZSA-N 1 2 335.367 0.215 20 30 ECEDLO C#Cc1cncc(C(=O)NC2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)c1 ZINC000999318737 744622566 /nfs/dbraw/zinc/62/25/66/744622566.db2.gz FFGUYROXSSNHAO-AWEZNQCLSA-N 1 2 349.394 0.463 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@H]2C[N@@H+](CC(N)=O)CC2(C)C)cc1 ZINC000977272477 744827741 /nfs/dbraw/zinc/82/77/41/744827741.db2.gz JNMIKMHJHALYAR-HNNXBMFYSA-N 1 2 329.400 0.624 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@H]2C[N@H+](CC(N)=O)CC2(C)C)cc1 ZINC000977272477 744827743 /nfs/dbraw/zinc/82/77/43/744827743.db2.gz JNMIKMHJHALYAR-HNNXBMFYSA-N 1 2 329.400 0.624 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)C[C@H]2C=CCC2)C1 ZINC001149137493 751957464 /nfs/dbraw/zinc/95/74/64/751957464.db2.gz PNTPWCFJMLOVKP-JKSUJKDBSA-N 1 2 333.432 0.299 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)C[C@H]2C=CCC2)C1 ZINC001149137493 751957473 /nfs/dbraw/zinc/95/74/73/751957473.db2.gz PNTPWCFJMLOVKP-JKSUJKDBSA-N 1 2 333.432 0.299 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2nc(CC(=O)NC)no2)C1 ZINC000999895417 745027060 /nfs/dbraw/zinc/02/70/60/745027060.db2.gz ZZPMUTYKBDTYII-GFCCVEGCSA-N 1 2 349.435 0.651 20 30 ECEDLO O=C(C[C@H]1COC(=O)C1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083407621 745070310 /nfs/dbraw/zinc/07/03/10/745070310.db2.gz XRMKUHZPCRQLRX-ZACQAIPSSA-N 1 2 342.395 0.153 20 30 ECEDLO O=C(C[C@H]1COC(=O)C1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083407621 745070313 /nfs/dbraw/zinc/07/03/13/745070313.db2.gz XRMKUHZPCRQLRX-ZACQAIPSSA-N 1 2 342.395 0.153 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)C(C)(C)C1 ZINC000977553841 745176497 /nfs/dbraw/zinc/17/64/97/745176497.db2.gz PWMRHZGAAPPEBT-KGLIPLIRSA-N 1 2 343.855 0.813 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)C(C)(C)C1 ZINC000977553841 745176501 /nfs/dbraw/zinc/17/65/01/745176501.db2.gz PWMRHZGAAPPEBT-KGLIPLIRSA-N 1 2 343.855 0.813 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001000022548 745193662 /nfs/dbraw/zinc/19/36/62/745193662.db2.gz QLULLAAPXKFEJX-MAZHCROVSA-N 1 2 344.415 0.364 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCc3nc(C)no3)C2)nn1 ZINC001098697155 745217219 /nfs/dbraw/zinc/21/72/19/745217219.db2.gz BWGPULDSMUIVKR-CQSZACIVSA-N 1 2 343.391 0.099 20 30 ECEDLO CN(C[C@@H]1CCN1C(=O)Cc1[nH]cc[nH+]1)C(=O)c1c[nH]c(C#N)c1 ZINC000977585295 745245732 /nfs/dbraw/zinc/24/57/32/745245732.db2.gz PKPJVQJLENZBJS-ZDUSSCGKSA-N 1 2 326.360 0.525 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C(C)(C)C1 ZINC000977587311 745248273 /nfs/dbraw/zinc/24/82/73/745248273.db2.gz GRGIOLZIBYVXMU-LLVKDONJSA-N 1 2 340.811 0.679 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C(C)(C)C1 ZINC000977587311 745248277 /nfs/dbraw/zinc/24/82/77/745248277.db2.gz GRGIOLZIBYVXMU-LLVKDONJSA-N 1 2 340.811 0.679 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N2CCC2)c1 ZINC001029259234 745461073 /nfs/dbraw/zinc/46/10/73/745461073.db2.gz 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/nfs/dbraw/zinc/95/86/76/745958676.db2.gz CLTAMMSPVHEBAC-AWEZNQCLSA-N 1 2 349.822 0.866 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)CC1 ZINC001000993305 745958679 /nfs/dbraw/zinc/95/86/79/745958679.db2.gz CLTAMMSPVHEBAC-AWEZNQCLSA-N 1 2 349.822 0.866 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3ocnc3C)C2)C1=O ZINC001007020908 752050426 /nfs/dbraw/zinc/05/04/26/752050426.db2.gz PEDCMDJACWDQCF-KBPBESRZSA-N 1 2 332.404 0.964 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3ocnc3C)C2)C1=O ZINC001007020908 752050430 /nfs/dbraw/zinc/05/04/30/752050430.db2.gz PEDCMDJACWDQCF-KBPBESRZSA-N 1 2 332.404 0.964 20 30 ECEDLO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCS2(=O)=O)[C@H]1CC ZINC001087600892 746111871 /nfs/dbraw/zinc/11/18/71/746111871.db2.gz QNHFUKVUHSFPNB-ZNMIVQPWSA-N 1 2 326.462 0.946 20 30 ECEDLO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCS2(=O)=O)[C@H]1CC ZINC001087600892 746111875 /nfs/dbraw/zinc/11/18/75/746111875.db2.gz QNHFUKVUHSFPNB-ZNMIVQPWSA-N 1 2 326.462 0.946 20 30 ECEDLO C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cn[nH]c2-c2cnn(C)c2)C1 ZINC001027647740 746530708 /nfs/dbraw/zinc/53/07/08/746530708.db2.gz QRUKYQXSRGNIEJ-CQSZACIVSA-N 1 2 326.404 0.980 20 30 ECEDLO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cn[nH]c2-c2cnn(C)c2)C1 ZINC001027647740 746530709 /nfs/dbraw/zinc/53/07/09/746530709.db2.gz QRUKYQXSRGNIEJ-CQSZACIVSA-N 1 2 326.404 0.980 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](CC(=O)Nc3ccon3)CC[C@@H]2C1 ZINC001087909666 746640318 /nfs/dbraw/zinc/64/03/18/746640318.db2.gz SVTSXJXGDLBLGP-UPJWGTAASA-N 1 2 331.376 0.553 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](CC(=O)Nc3ccon3)CC[C@@H]2C1 ZINC001087909666 746640321 /nfs/dbraw/zinc/64/03/21/746640321.db2.gz SVTSXJXGDLBLGP-UPJWGTAASA-N 1 2 331.376 0.553 20 30 ECEDLO COCc1noc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]3C2)n1 ZINC001087911108 746645341 /nfs/dbraw/zinc/64/53/41/746645341.db2.gz KMBDRPVSMKJZOW-UPJWGTAASA-N 1 2 333.392 0.656 20 30 ECEDLO COCc1noc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]3C2)n1 ZINC001087911108 746645344 /nfs/dbraw/zinc/64/53/44/746645344.db2.gz KMBDRPVSMKJZOW-UPJWGTAASA-N 1 2 333.392 0.656 20 30 ECEDLO COCc1noc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]3C2)n1 ZINC001087911109 746645531 /nfs/dbraw/zinc/64/55/31/746645531.db2.gz KMBDRPVSMKJZOW-XQQFMLRXSA-N 1 2 333.392 0.656 20 30 ECEDLO COCc1noc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]3C2)n1 ZINC001087911109 746645533 /nfs/dbraw/zinc/64/55/33/746645533.db2.gz KMBDRPVSMKJZOW-XQQFMLRXSA-N 1 2 333.392 0.656 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)[nH]1 ZINC000978744812 746671751 /nfs/dbraw/zinc/67/17/51/746671751.db2.gz UCLARKQGEMMZJN-KLPPZKSPSA-N 1 2 326.360 0.477 20 30 ECEDLO Cn1ncnc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C1 ZINC001087940352 746695096 /nfs/dbraw/zinc/69/50/96/746695096.db2.gz GHIYYUTXGHPQQM-OCCSQVGLSA-N 1 2 339.403 0.609 20 30 ECEDLO 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/nfs/dbraw/zinc/86/22/95/747862295.db2.gz XWXJHOAQGAMODZ-KRWDZBQOSA-N 1 2 345.447 0.700 20 30 ECEDLO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)CCc3cnn[nH]3)CC2)C1 ZINC001088238597 747862305 /nfs/dbraw/zinc/86/23/05/747862305.db2.gz XWXJHOAQGAMODZ-KRWDZBQOSA-N 1 2 345.447 0.700 20 30 ECEDLO C=C1CCC(C(=O)NCCN(CCO)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001058949548 752228890 /nfs/dbraw/zinc/22/88/90/752228890.db2.gz YYQBLEAYYGNJRN-UHFFFAOYSA-N 1 2 334.420 0.636 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001007263581 752236013 /nfs/dbraw/zinc/23/60/13/752236013.db2.gz UAZWJQZJAYPDCO-CABCVRRESA-N 1 2 328.372 0.747 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001007263581 752236017 /nfs/dbraw/zinc/23/60/17/752236017.db2.gz UAZWJQZJAYPDCO-CABCVRRESA-N 1 2 328.372 0.747 20 30 ECEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)ccc1F ZINC001007265344 752236759 /nfs/dbraw/zinc/23/67/59/752236759.db2.gz WWAUXRWEWCUZLA-UKRRQHHQSA-N 1 2 346.362 0.886 20 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ZINC001029758125 748270915 /nfs/dbraw/zinc/27/09/15/748270915.db2.gz RSWGSNRMJJFLOM-WBVHZDCISA-N 1 2 344.463 0.193 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)CCN(C)c1ncnc2c1C[N@H+](C)CC2 ZINC001105469577 752258730 /nfs/dbraw/zinc/25/87/30/752258730.db2.gz WJDCYUSHDYVWQC-CQSZACIVSA-N 1 2 345.447 0.397 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)CCN(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC001105469577 752258732 /nfs/dbraw/zinc/25/87/32/752258732.db2.gz WJDCYUSHDYVWQC-CQSZACIVSA-N 1 2 345.447 0.397 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2ncccc2O)C1=O ZINC001027844479 748552812 /nfs/dbraw/zinc/55/28/12/748552812.db2.gz SJPUDXXDGAHBGV-KGLIPLIRSA-N 1 2 344.415 0.768 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2ncccc2O)C1=O ZINC001027844479 748552819 /nfs/dbraw/zinc/55/28/19/748552819.db2.gz SJPUDXXDGAHBGV-KGLIPLIRSA-N 1 2 344.415 0.768 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000979856796 748560955 /nfs/dbraw/zinc/56/09/55/748560955.db2.gz PLDPIRTUBCKWCQ-FPCVCCKLSA-N 1 2 346.431 0.875 20 30 ECEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1OC ZINC001211992089 752295103 /nfs/dbraw/zinc/29/51/03/752295103.db2.gz CGFXLECXYOYHAZ-FVQBIDKESA-N 1 2 336.436 0.717 20 30 ECEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1OC ZINC001211992089 752295111 /nfs/dbraw/zinc/29/51/11/752295111.db2.gz CGFXLECXYOYHAZ-FVQBIDKESA-N 1 2 336.436 0.717 20 30 ECEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC)C[C@H]1OC ZINC001211992444 752300460 /nfs/dbraw/zinc/30/04/60/752300460.db2.gz NMXWEVCAJCBSGP-RBSFLKMASA-N 1 2 341.452 0.261 20 30 ECEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC)C[C@H]1OC ZINC001211992444 752300471 /nfs/dbraw/zinc/30/04/71/752300471.db2.gz NMXWEVCAJCBSGP-RBSFLKMASA-N 1 2 341.452 0.261 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001059648529 749109668 /nfs/dbraw/zinc/10/96/68/749109668.db2.gz UORAMVVJXLPUHA-LSDHHAIUSA-N 1 2 332.404 0.276 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001105806168 761942470 /nfs/dbraw/zinc/94/24/70/761942470.db2.gz RCFZCHAODVBQHX-GUYCJALGSA-N 1 2 334.420 0.879 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC000980331308 749365672 /nfs/dbraw/zinc/36/56/72/749365672.db2.gz VSSWIAHWROLVBR-LLVKDONJSA-N 1 2 328.214 0.719 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC000980331308 749365677 /nfs/dbraw/zinc/36/56/77/749365677.db2.gz VSSWIAHWROLVBR-LLVKDONJSA-N 1 2 328.214 0.719 20 30 ECEDLO Cn1cnn(CCC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)c1=O ZINC001004494689 749566470 /nfs/dbraw/zinc/56/64/70/749566470.db2.gz RDLJKGPQGHGCMZ-HNNXBMFYSA-N 1 2 346.435 0.198 20 30 ECEDLO Cn1cnn(CCC(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)c1=O ZINC001004494689 749566478 /nfs/dbraw/zinc/56/64/78/749566478.db2.gz RDLJKGPQGHGCMZ-HNNXBMFYSA-N 1 2 346.435 0.198 20 30 ECEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccn3nnnc3c2)CC1 ZINC001004504246 749576705 /nfs/dbraw/zinc/57/67/05/749576705.db2.gz BYFFGFVRFNOVML-OAHLLOKOSA-N 1 2 339.403 0.964 20 30 ECEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccn3nnnc3c2)CC1 ZINC001004504246 749576707 /nfs/dbraw/zinc/57/67/07/749576707.db2.gz BYFFGFVRFNOVML-OAHLLOKOSA-N 1 2 339.403 0.964 20 30 ECEDLO C[C@H]1[C@@H]([NH2+]Cc2nc(N(C)C)no2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000986130854 749598231 /nfs/dbraw/zinc/59/82/31/749598231.db2.gz HCOBABFBVFQJDX-JQWIXIFHSA-N 1 2 343.391 0.728 20 30 ECEDLO C[C@@H]1[C@@H]([NH2+]Cc2nc(N(C)C)no2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000986176753 749633833 /nfs/dbraw/zinc/63/38/33/749633833.db2.gz PLINBWAGGLYFPH-MFKMUULPSA-N 1 2 343.391 0.728 20 30 ECEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001004576073 749649158 /nfs/dbraw/zinc/64/91/58/749649158.db2.gz MADHCFHKRPPPAB-CQSZACIVSA-N 1 2 332.404 0.266 20 30 ECEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001004576073 749649160 /nfs/dbraw/zinc/64/91/60/749649160.db2.gz MADHCFHKRPPPAB-CQSZACIVSA-N 1 2 332.404 0.266 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC000986438324 749928927 /nfs/dbraw/zinc/92/89/27/749928927.db2.gz UWJPKMHIOTUYFH-KFWWJZLASA-N 1 2 329.404 0.740 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(OC)o3)C2)nn1 ZINC001105347925 750356878 /nfs/dbraw/zinc/35/68/78/750356878.db2.gz RXIAQQZNVMPCJH-UHFFFAOYSA-N 1 2 329.360 0.690 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(C(C)C)nn3)C2)nn1 ZINC001105352273 750467216 /nfs/dbraw/zinc/46/72/16/750467216.db2.gz SPKXXTJMXPEBOT-UHFFFAOYSA-N 1 2 342.407 0.261 20 30 ECEDLO C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H]1C ZINC000987188288 750571054 /nfs/dbraw/zinc/57/10/54/750571054.db2.gz IBSUNXYHJGEVRV-WCQYABFASA-N 1 2 330.392 0.226 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3c[nH]nc3CC)CC2)C1=O ZINC000981527931 750776009 /nfs/dbraw/zinc/77/60/09/750776009.db2.gz UAUMXTUNDQSQES-INIZCTEOSA-N 1 2 345.447 0.907 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3c[nH]nc3CC)CC2)C1=O ZINC000981527931 750776011 /nfs/dbraw/zinc/77/60/11/750776011.db2.gz UAUMXTUNDQSQES-INIZCTEOSA-N 1 2 345.447 0.907 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CCN2C(=O)CCC2=O)CC1 ZINC000981575705 750816825 /nfs/dbraw/zinc/81/68/25/750816825.db2.gz SSPCMTXTZNIEEQ-UHFFFAOYSA-N 1 2 327.812 0.812 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CCN2C(=O)CCC2=O)CC1 ZINC000981575705 750816834 /nfs/dbraw/zinc/81/68/34/750816834.db2.gz SSPCMTXTZNIEEQ-UHFFFAOYSA-N 1 2 327.812 0.812 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000987532810 750946287 /nfs/dbraw/zinc/94/62/87/750946287.db2.gz OWPNNFJOXFNTIY-PWSUYJOCSA-N 1 2 326.360 0.571 20 30 ECEDLO CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001006085161 751002551 /nfs/dbraw/zinc/00/25/51/751002551.db2.gz AVPAFYABMRLMLH-CQSZACIVSA-N 1 2 326.462 0.757 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1CC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001059830681 751166575 /nfs/dbraw/zinc/16/65/75/751166575.db2.gz HJEGISIHZLSVGH-ZIAGYGMSSA-N 1 2 334.420 0.898 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)C(=O)C(C)(C)C)C1 ZINC001006321644 751243968 /nfs/dbraw/zinc/24/39/68/751243968.db2.gz RHDWXFAHXOMLOV-HIFRSBDPSA-N 1 2 347.459 0.662 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)C(=O)C(C)(C)C)C1 ZINC001006321644 751243971 /nfs/dbraw/zinc/24/39/71/751243971.db2.gz RHDWXFAHXOMLOV-HIFRSBDPSA-N 1 2 347.459 0.662 20 30 ECEDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 ZINC000337180085 751315076 /nfs/dbraw/zinc/31/50/76/751315076.db2.gz LYPVVJYEOLWAMW-QWHCGFSZSA-N 1 2 339.421 0.069 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCCC)C[C@H]1OC ZINC001212036408 752425474 /nfs/dbraw/zinc/42/54/74/752425474.db2.gz UCLLKHWKKHUWAT-RRFJBIMHSA-N 1 2 341.452 0.309 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCCC)C[C@H]1OC ZINC001212036408 752425477 /nfs/dbraw/zinc/42/54/77/752425477.db2.gz UCLLKHWKKHUWAT-RRFJBIMHSA-N 1 2 341.452 0.309 20 30 ECEDLO CO[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212041043 752433789 /nfs/dbraw/zinc/43/37/89/752433789.db2.gz CVMWPFOBCUTGBE-IUIKQTSFSA-N 1 2 335.379 0.793 20 30 ECEDLO CO[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212041043 752433792 /nfs/dbraw/zinc/43/37/92/752433792.db2.gz CVMWPFOBCUTGBE-IUIKQTSFSA-N 1 2 335.379 0.793 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)c3cccnc3)C2)nn1 ZINC001105365110 752442718 /nfs/dbraw/zinc/44/27/18/752442718.db2.gz HMJDDVLNAPCCIW-AWEZNQCLSA-N 1 2 338.415 0.973 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C)c1 ZINC001014044354 762133540 /nfs/dbraw/zinc/13/35/40/762133540.db2.gz MJPNSYDXYYGBKE-CZUORRHYSA-N 1 2 337.383 0.679 20 30 ECEDLO C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001075919886 752675992 /nfs/dbraw/zinc/67/59/92/752675992.db2.gz GHFLHORVGKEVES-BFHYXJOUSA-N 1 2 334.420 0.737 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](OC)C1 ZINC001212080938 752697010 /nfs/dbraw/zinc/69/70/10/752697010.db2.gz DWPZQCQVFLWBBH-KCPJHIHWSA-N 1 2 345.403 0.006 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](OC)C1 ZINC001212080938 752697013 /nfs/dbraw/zinc/69/70/13/752697013.db2.gz DWPZQCQVFLWBBH-KCPJHIHWSA-N 1 2 345.403 0.006 20 30 ECEDLO COCc1noc(C[N@@H+]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001028491255 752832943 /nfs/dbraw/zinc/83/29/43/752832943.db2.gz VAIHZWAERKFTPG-LLVKDONJSA-N 1 2 344.375 0.668 20 30 ECEDLO COCc1noc(C[N@H+]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001028491255 752832950 /nfs/dbraw/zinc/83/29/50/752832950.db2.gz VAIHZWAERKFTPG-LLVKDONJSA-N 1 2 344.375 0.668 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC001051488729 762186994 /nfs/dbraw/zinc/18/69/94/762186994.db2.gz ROALUCBTMBYCNJ-RYUDHWBXSA-N 1 2 335.408 0.844 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3cccc(OC)c3)C2)nn1 ZINC001105370016 753058051 /nfs/dbraw/zinc/05/80/51/753058051.db2.gz QUJQJHNUUWQYQG-UHFFFAOYSA-N 1 2 339.399 0.636 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)CSC)[C@H](OC)C1 ZINC001211819385 753067447 /nfs/dbraw/zinc/06/74/47/753067447.db2.gz QVMBXMWWECVIEL-ZIAGYGMSSA-N 1 2 343.493 0.589 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)CSC)[C@H](OC)C1 ZINC001211819385 753067453 /nfs/dbraw/zinc/06/74/53/753067453.db2.gz QVMBXMWWECVIEL-ZIAGYGMSSA-N 1 2 343.493 0.589 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1nc(-c2ccncn2)no1 ZINC001126378805 753075669 /nfs/dbraw/zinc/07/56/69/753075669.db2.gz SRIJSFLLUHPCJR-OAHLLOKOSA-N 1 2 332.364 0.060 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCOCC3CC3)C2)nn1 ZINC001098676119 762195135 /nfs/dbraw/zinc/19/51/35/762195135.db2.gz LKJRUUFBHKUUTE-KRWDZBQOSA-N 1 2 345.447 0.981 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)CCn2cnnn2)CC1 ZINC000982659128 753233998 /nfs/dbraw/zinc/23/39/98/753233998.db2.gz GKUSZIMOYFUYOA-UHFFFAOYSA-N 1 2 339.403 0.669 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)CCn2cnnn2)CC1 ZINC000982659128 753234001 /nfs/dbraw/zinc/23/40/01/753234001.db2.gz GKUSZIMOYFUYOA-UHFFFAOYSA-N 1 2 339.403 0.669 20 30 ECEDLO CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001008050878 753241434 /nfs/dbraw/zinc/24/14/34/753241434.db2.gz AGCMNKVJYZSYBS-CYBMUJFWSA-N 1 2 340.387 0.819 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC001008122121 753339498 /nfs/dbraw/zinc/33/94/98/753339498.db2.gz RXEOBZLRFXIAFU-ZDUSSCGKSA-N 1 2 349.822 0.829 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC001008122121 753339502 /nfs/dbraw/zinc/33/95/02/753339502.db2.gz RXEOBZLRFXIAFU-ZDUSSCGKSA-N 1 2 349.822 0.829 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccoc2C)[C@H](OC)C1 ZINC001211822550 753376542 /nfs/dbraw/zinc/37/65/42/753376542.db2.gz GYDWMJMIJBEJMF-KCPJHIHWSA-N 1 2 335.404 0.708 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccoc2C)[C@H](OC)C1 ZINC001211822550 753376548 /nfs/dbraw/zinc/37/65/48/753376548.db2.gz GYDWMJMIJBEJMF-KCPJHIHWSA-N 1 2 335.404 0.708 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000982739929 753450629 /nfs/dbraw/zinc/45/06/29/753450629.db2.gz RGJGXVUBVUKFEI-HZPDHXFCSA-N 1 2 340.427 0.824 20 30 ECEDLO C=C(C)CCC(=O)N1CC[C@@H](n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001098680714 753582486 /nfs/dbraw/zinc/58/24/86/753582486.db2.gz IHTJHPFCWIIAGP-GXTWGEPZSA-N 1 2 334.424 0.371 20 30 ECEDLO C=C(C)CCC(=O)N1CC[C@@H](n2cc(C[NH2+][C@H](CC)C(N)=O)nn2)C1 ZINC001098681434 753627813 /nfs/dbraw/zinc/62/78/13/753627813.db2.gz SPBAXMQZPKKGEF-HUUCEWRRSA-N 1 2 348.451 0.761 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3cncs3)C2)nn1 ZINC001098682708 753683220 /nfs/dbraw/zinc/68/32/20/753683220.db2.gz DSMHXEUVYJWSPY-CQSZACIVSA-N 1 2 344.444 0.864 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C3=COCCC3)[C@@H](O)C2)s1 ZINC001083367044 753695221 /nfs/dbraw/zinc/69/52/21/753695221.db2.gz LYKXSHUMCWXHIA-CABCVRRESA-N 1 2 333.413 0.975 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C3=COCCC3)[C@@H](O)C2)s1 ZINC001083367044 753695223 /nfs/dbraw/zinc/69/52/23/753695223.db2.gz LYKXSHUMCWXHIA-CABCVRRESA-N 1 2 333.413 0.975 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3OCC[C@H]3CC)C2)nn1 ZINC001098683375 753699531 /nfs/dbraw/zinc/69/95/31/753699531.db2.gz ZBSTUDGOEACHPL-BMFZPTHFSA-N 1 2 331.420 0.589 20 30 ECEDLO O=C(Cc1ccon1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083378198 753734483 /nfs/dbraw/zinc/73/44/83/753734483.db2.gz FZSXCGRQALRTIN-SJORKVTESA-N 1 2 325.368 0.430 20 30 ECEDLO O=C(Cc1ccon1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083378198 753734486 /nfs/dbraw/zinc/73/44/86/753734486.db2.gz FZSXCGRQALRTIN-SJORKVTESA-N 1 2 325.368 0.430 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]c4ncccc34)C2)nn1 ZINC001105374115 753749395 /nfs/dbraw/zinc/74/93/95/753749395.db2.gz IXIKLGDNWFQCTR-UHFFFAOYSA-N 1 2 349.398 0.964 20 30 ECEDLO C[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2C2(CNCC#N)CCC2)C1 ZINC001105523216 753786023 /nfs/dbraw/zinc/78/60/23/753786023.db2.gz SOTZWKHCAFWHGC-HZPDHXFCSA-N 1 2 334.464 0.982 20 30 ECEDLO C[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2C2(CNCC#N)CCC2)C1 ZINC001105523216 753786025 /nfs/dbraw/zinc/78/60/25/753786025.db2.gz SOTZWKHCAFWHGC-HZPDHXFCSA-N 1 2 334.464 0.982 20 30 ECEDLO C[C@H](c1cnccn1)[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001083392808 753794523 /nfs/dbraw/zinc/79/45/23/753794523.db2.gz ZZJOYHQRIPVJQU-KMUNFCNLSA-N 1 2 326.360 0.212 20 30 ECEDLO C[C@H](c1cnccn1)[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001083392808 753794524 /nfs/dbraw/zinc/79/45/24/753794524.db2.gz ZZJOYHQRIPVJQU-KMUNFCNLSA-N 1 2 326.360 0.212 20 30 ECEDLO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CN(CC)CCO3)C2)nn1 ZINC001105375939 753851301 /nfs/dbraw/zinc/85/13/01/753851301.db2.gz WAKCOZLQJAYRGF-INIZCTEOSA-N 1 2 348.451 0.048 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCN(C)c1cnc(C#N)cn1 ZINC001105577891 753852867 /nfs/dbraw/zinc/85/28/67/753852867.db2.gz ZNYZDAKLUAOGON-GFCCVEGCSA-N 1 2 327.392 0.845 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCN(C)c1cnc(C#N)cn1 ZINC001105577891 753852870 /nfs/dbraw/zinc/85/28/70/753852870.db2.gz ZNYZDAKLUAOGON-GFCCVEGCSA-N 1 2 327.392 0.845 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cnc(C)cn3)C2)nn1 ZINC001008799485 754131286 /nfs/dbraw/zinc/13/12/86/754131286.db2.gz MGQWVRVNGZTGJC-AWEZNQCLSA-N 1 2 341.419 0.957 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cnc(C)cn3)C2)nn1 ZINC001008799485 754131292 /nfs/dbraw/zinc/13/12/92/754131292.db2.gz MGQWVRVNGZTGJC-AWEZNQCLSA-N 1 2 341.419 0.957 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)[nH]1 ZINC001008949665 754349942 /nfs/dbraw/zinc/34/99/42/754349942.db2.gz HWCLGEFFJKDEGR-XYYAHUGASA-N 1 2 338.371 0.286 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CCC[N@@H+]([C@@H](CC)C(N)=O)C1 ZINC001009265214 754721808 /nfs/dbraw/zinc/72/18/08/754721808.db2.gz XCXHPNNUNMXHHI-ZFWWWQNUSA-N 1 2 344.415 0.552 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CCC[N@H+]([C@@H](CC)C(N)=O)C1 ZINC001009265214 754721811 /nfs/dbraw/zinc/72/18/11/754721811.db2.gz XCXHPNNUNMXHHI-ZFWWWQNUSA-N 1 2 344.415 0.552 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)cn1 ZINC001009319291 754768824 /nfs/dbraw/zinc/76/88/24/754768824.db2.gz KBZAYUZAGNPKFR-OSYLJGHBSA-N 1 2 349.394 0.394 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)cn1 ZINC001009324686 754772515 /nfs/dbraw/zinc/77/25/15/754772515.db2.gz YXENXRYLHXLZHA-OSYLJGHBSA-N 1 2 349.394 0.463 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC001009575536 755012811 /nfs/dbraw/zinc/01/28/11/755012811.db2.gz DDYYHGRMAAEMON-KGLIPLIRSA-N 1 2 329.828 0.567 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC001009575536 755012814 /nfs/dbraw/zinc/01/28/14/755012814.db2.gz DDYYHGRMAAEMON-KGLIPLIRSA-N 1 2 329.828 0.567 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CC[N@@H+](Cc3ncnn3CC)C2)c1 ZINC001028792100 755137556 /nfs/dbraw/zinc/13/75/56/755137556.db2.gz CCLUVSCLGQRZIY-OAHLLOKOSA-N 1 2 338.415 0.926 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CC[N@H+](Cc3ncnn3CC)C2)c1 ZINC001028792100 755137560 /nfs/dbraw/zinc/13/75/60/755137560.db2.gz CCLUVSCLGQRZIY-OAHLLOKOSA-N 1 2 338.415 0.926 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H]2C)nn1 ZINC000990434596 755171163 /nfs/dbraw/zinc/17/11/63/755171163.db2.gz QVSYUBWOSYBEPR-YPMHNXCESA-N 1 2 343.391 0.149 20 30 ECEDLO C#CC[C@H](CO)NC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000923916964 755200085 /nfs/dbraw/zinc/20/00/85/755200085.db2.gz FLOMFBLIYKPPAI-QZTJIDSGSA-N 1 2 345.443 0.879 20 30 ECEDLO C#CC[C@H](CO)NC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000923916964 755200091 /nfs/dbraw/zinc/20/00/91/755200091.db2.gz FLOMFBLIYKPPAI-QZTJIDSGSA-N 1 2 345.443 0.879 20 30 ECEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@@]23CCC[C@@H]2N(C(=O)C#CC2CC2)CC3)C1 ZINC001014223826 762374167 /nfs/dbraw/zinc/37/41/67/762374167.db2.gz FCUNYEXSDXEXSE-TXPKVOOTSA-N 1 2 345.443 0.370 20 30 ECEDLO C[N@H+]1CCO[C@H](C(=O)N[C@@]23CCC[C@@H]2N(C(=O)C#CC2CC2)CC3)C1 ZINC001014223826 762374172 /nfs/dbraw/zinc/37/41/72/762374172.db2.gz FCUNYEXSDXEXSE-TXPKVOOTSA-N 1 2 345.443 0.370 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3cnn(C)n3)C2)nn1 ZINC001028856567 755320788 /nfs/dbraw/zinc/32/07/88/755320788.db2.gz KFEAMYCIQPHNDC-CYBMUJFWSA-N 1 2 344.423 0.235 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3cnn(C)n3)C2)nn1 ZINC001028856567 755320793 /nfs/dbraw/zinc/32/07/93/755320793.db2.gz KFEAMYCIQPHNDC-CYBMUJFWSA-N 1 2 344.423 0.235 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@H](CNc2nccnc2C#N)C1 ZINC001060041137 755328326 /nfs/dbraw/zinc/32/83/26/755328326.db2.gz PGYXYRXVDMRHRL-CYBMUJFWSA-N 1 2 339.403 0.975 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC000991642367 762411827 /nfs/dbraw/zinc/41/18/27/762411827.db2.gz GFGRCBPERRDUTH-OCCSQVGLSA-N 1 2 334.420 0.551 20 30 ECEDLO COc1ccc(-c2noc(C[NH2+]CCNC(=O)C#CC3CC3)n2)nn1 ZINC001126881308 755778538 /nfs/dbraw/zinc/77/85/38/755778538.db2.gz OMXZPKBWPGDMTC-UHFFFAOYSA-N 1 2 342.359 0.154 20 30 ECEDLO C[C@H]1C[C@H](CNC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cn1cc[nH+]c1 ZINC001010206645 755811491 /nfs/dbraw/zinc/81/14/91/755811491.db2.gz MWMSGHIHRDNHTH-GXTWGEPZSA-N 1 2 340.387 0.750 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C(F)=C(C)C)[C@H](OC)C1 ZINC001212122771 755817694 /nfs/dbraw/zinc/81/76/94/755817694.db2.gz QFNGMPCVIKFEIU-YNEHKIRRSA-N 1 2 327.400 0.756 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(F)=C(C)C)[C@H](OC)C1 ZINC001212122771 755817696 /nfs/dbraw/zinc/81/76/96/755817696.db2.gz QFNGMPCVIKFEIU-YNEHKIRRSA-N 1 2 327.400 0.756 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3COCCO3)C2)cc1F ZINC001010251037 755884048 /nfs/dbraw/zinc/88/40/48/755884048.db2.gz GRILYWDENXRYFJ-GOEBONIOSA-N 1 2 333.363 0.803 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3COCCO3)C2)cc1F ZINC001010251037 755884053 /nfs/dbraw/zinc/88/40/53/755884053.db2.gz GRILYWDENXRYFJ-GOEBONIOSA-N 1 2 333.363 0.803 20 30 ECEDLO C[C@@H]1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001010275609 755924116 /nfs/dbraw/zinc/92/41/16/755924116.db2.gz KSPLBUFPJIGERR-YPMHNXCESA-N 1 2 340.387 0.819 20 30 ECEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(Cc3ccccc3C#N)C2)C1 ZINC001010427610 756124218 /nfs/dbraw/zinc/12/42/18/756124218.db2.gz MDIJOJGTZXCZIR-IAGOWNOFSA-N 1 2 328.416 0.579 20 30 ECEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(Cc3ccccc3C#N)C2)C1 ZINC001010427610 756124219 /nfs/dbraw/zinc/12/42/19/756124219.db2.gz MDIJOJGTZXCZIR-IAGOWNOFSA-N 1 2 328.416 0.579 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC[C@@H](C)OC)C2)nn1 ZINC001098661937 756135149 /nfs/dbraw/zinc/13/51/49/756135149.db2.gz UWWRNHUTVHPMBN-GDBMZVCRSA-N 1 2 333.436 0.980 20 30 ECEDLO COc1nccc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001010458218 756152454 /nfs/dbraw/zinc/15/24/54/756152454.db2.gz RDXZESUMHCBCAJ-ZDUSSCGKSA-N 1 2 326.360 0.689 20 30 ECEDLO COc1nccc(C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001010458218 756152460 /nfs/dbraw/zinc/15/24/60/756152460.db2.gz RDXZESUMHCBCAJ-ZDUSSCGKSA-N 1 2 326.360 0.689 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 ZINC001076250161 756268876 /nfs/dbraw/zinc/26/88/76/756268876.db2.gz XWKOASDRJZNMEH-WHOHXGKFSA-N 1 2 342.237 0.549 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 ZINC001076250161 756268879 /nfs/dbraw/zinc/26/88/79/756268879.db2.gz XWKOASDRJZNMEH-WHOHXGKFSA-N 1 2 342.237 0.549 20 30 ECEDLO CN1CCOC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010691421 756403800 /nfs/dbraw/zinc/40/38/00/756403800.db2.gz LBUHGHZMNKXMKZ-WBVHZDCISA-N 1 2 346.406 0.718 20 30 ECEDLO CN1CCOC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010691421 756403804 /nfs/dbraw/zinc/40/38/04/756403804.db2.gz LBUHGHZMNKXMKZ-WBVHZDCISA-N 1 2 346.406 0.718 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001010779110 756510915 /nfs/dbraw/zinc/51/09/15/756510915.db2.gz ORYILPRXWPUBDD-AWEZNQCLSA-N 1 2 343.431 0.963 20 30 ECEDLO Cn1nncc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001010820538 756567624 /nfs/dbraw/zinc/56/76/24/756567624.db2.gz DLPOSXYNBBYMOQ-CYBMUJFWSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1nncc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001010820538 756567626 /nfs/dbraw/zinc/56/76/26/756567626.db2.gz DLPOSXYNBBYMOQ-CYBMUJFWSA-N 1 2 328.351 0.830 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001076512351 756608315 /nfs/dbraw/zinc/60/83/15/756608315.db2.gz VRUURMJLKMUVMY-LSDHHAIUSA-N 1 2 334.420 0.713 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001010920521 756670471 /nfs/dbraw/zinc/67/04/71/756670471.db2.gz CAAGACZMYDBTCT-UHFFFAOYSA-N 1 2 326.360 0.147 20 30 ECEDLO C[C@@H](CC(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1)n1cc[nH+]c1 ZINC000990894794 756729786 /nfs/dbraw/zinc/72/97/86/756729786.db2.gz YZXTVTBEEPIYFT-NSHDSACASA-N 1 2 326.360 0.675 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)[nH]1 ZINC001011017115 756770802 /nfs/dbraw/zinc/77/08/02/756770802.db2.gz VCJGIOHPTBZFSV-UHFFFAOYSA-N 1 2 326.360 0.527 20 30 ECEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)CCCn2cc[nH+]c2)nc1 ZINC001105894737 762495879 /nfs/dbraw/zinc/49/58/79/762495879.db2.gz SNVDBAJICUZQGQ-CQSZACIVSA-N 1 2 328.376 0.519 20 30 ECEDLO O=C(C#CC1CC1)N1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001011110583 756940586 /nfs/dbraw/zinc/94/05/86/756940586.db2.gz GGPBESFLVLZKEA-OAHLLOKOSA-N 1 2 326.400 0.530 20 30 ECEDLO O=C(C#CC1CC1)N1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC001011111835 756942601 /nfs/dbraw/zinc/94/26/01/756942601.db2.gz VTVKXGYMWTWWBF-GOSISDBHSA-N 1 2 345.443 0.181 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)OCCCC)nn2)C1 ZINC001107140765 756963006 /nfs/dbraw/zinc/96/30/06/756963006.db2.gz UAZFSRGVSOUETH-AWEZNQCLSA-N 1 2 333.436 0.980 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3cocn3)nn2)C1 ZINC001107142582 757012119 /nfs/dbraw/zinc/01/21/19/757012119.db2.gz KNYYIWSSLKASLA-UHFFFAOYSA-N 1 2 332.364 0.255 20 30 ECEDLO Cc1cnn(CC(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)c1 ZINC001076778077 757072642 /nfs/dbraw/zinc/07/26/42/757072642.db2.gz PTXBWAWLEKDQKC-QZTJIDSGSA-N 1 2 338.411 0.405 20 30 ECEDLO Cc1cnn(CC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)c1 ZINC001076778077 757072652 /nfs/dbraw/zinc/07/26/52/757072652.db2.gz PTXBWAWLEKDQKC-QZTJIDSGSA-N 1 2 338.411 0.405 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CC3(OC)CCC3)nn2)C1 ZINC001107165382 757179246 /nfs/dbraw/zinc/17/92/46/757179246.db2.gz VHYWHFFNNIZJQO-UHFFFAOYSA-N 1 2 331.420 0.734 20 30 ECEDLO C#CCCCC(=O)NCc1cn(C2C[NH+](CCOCC3CC3)C2)nn1 ZINC001107165552 757179565 /nfs/dbraw/zinc/17/95/65/757179565.db2.gz XEXIZJVPDUDDHN-UHFFFAOYSA-N 1 2 345.447 0.981 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCOCC(F)F)nn2)C1 ZINC001107172618 757222757 /nfs/dbraw/zinc/22/27/57/757222757.db2.gz DIXWVXMAYPHUEY-UHFFFAOYSA-N 1 2 343.378 0.999 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)COCc3cc(C)on3)nn2)C1 ZINC001107180256 757299545 /nfs/dbraw/zinc/29/95/45/757299545.db2.gz JTNSYGBUNVSVJZ-UHFFFAOYSA-N 1 2 346.391 0.450 20 30 ECEDLO C=CCC[NH+]1CC(n2cc(CNC(=O)Cn3cncc3C)nn2)C1 ZINC001107185083 757357513 /nfs/dbraw/zinc/35/75/13/757357513.db2.gz JIBCDURNARKNBA-UHFFFAOYSA-N 1 2 329.408 0.532 20 30 ECEDLO COc1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)on1 ZINC001076910577 757536757 /nfs/dbraw/zinc/53/67/57/757536757.db2.gz WXXDVYWAPLQSCF-ZIAGYGMSSA-N 1 2 342.355 0.530 20 30 ECEDLO COc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)on1 ZINC001076910577 757536763 /nfs/dbraw/zinc/53/67/63/757536763.db2.gz WXXDVYWAPLQSCF-ZIAGYGMSSA-N 1 2 342.355 0.530 20 30 ECEDLO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001049024267 757726094 /nfs/dbraw/zinc/72/60/94/757726094.db2.gz XQNOVRCVRWFLHR-GJZGRUSLSA-N 1 2 348.447 0.923 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)Cc3cscn3)nn2)C1 ZINC001107217668 757824591 /nfs/dbraw/zinc/82/45/91/757824591.db2.gz UZCIRTOIIUMQGI-UHFFFAOYSA-N 1 2 330.417 0.474 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C(C)(C)CNC(C)=O)nn2)C1 ZINC001107218932 757834534 /nfs/dbraw/zinc/83/45/34/757834534.db2.gz IVXTUVBVPLSKTD-UHFFFAOYSA-N 1 2 334.424 0.099 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC(C)C)c2CC)C1 ZINC001076985839 757846424 /nfs/dbraw/zinc/84/64/24/757846424.db2.gz AIWATFBNRPLZLM-NVXWUHKLSA-N 1 2 332.448 0.900 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC(C)C)c2CC)C1 ZINC001076985839 757846435 /nfs/dbraw/zinc/84/64/35/757846435.db2.gz AIWATFBNRPLZLM-NVXWUHKLSA-N 1 2 332.448 0.900 20 30 ECEDLO O=C(NCC[NH2+]C[C@@H](O)COCC(F)(F)F)C(F)C(F)(F)F ZINC001127737499 757847006 /nfs/dbraw/zinc/84/70/06/757847006.db2.gz PXVCHCXBEHQYGV-RQJHMYQMSA-N 1 2 344.227 0.532 20 30 ECEDLO O=C(NCC[NH2+]C[C@@H](O)COCC(F)(F)F)[C@H](F)C(F)(F)F ZINC001127737499 757847018 /nfs/dbraw/zinc/84/70/18/757847018.db2.gz PXVCHCXBEHQYGV-RQJHMYQMSA-N 1 2 344.227 0.532 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nncn3C)C[C@@H]2C1 ZINC001049069769 757875260 /nfs/dbraw/zinc/87/52/60/757875260.db2.gz QALFTBCNARJCPJ-BARDWOONSA-N 1 2 331.420 0.296 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nncn3C)C[C@@H]2C1 ZINC001049069769 757875265 /nfs/dbraw/zinc/87/52/65/757875265.db2.gz QALFTBCNARJCPJ-BARDWOONSA-N 1 2 331.420 0.296 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)C3CCOCC3)nn2)C1 ZINC001107242635 758001677 /nfs/dbraw/zinc/00/16/77/758001677.db2.gz XPWXVHGWVLTXIX-CQSZACIVSA-N 1 2 345.447 0.837 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCCc3nc(C)no3)nn2)C1 ZINC001107235488 758023238 /nfs/dbraw/zinc/02/32/38/758023238.db2.gz HGBWSIKFLFHURU-UHFFFAOYSA-N 1 2 345.407 0.651 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CC[C@@]3(C)CCC(=O)N3)nn2)C1 ZINC001107241140 758043510 /nfs/dbraw/zinc/04/35/10/758043510.db2.gz OEYZWHYEZQJDGR-KRWDZBQOSA-N 1 2 346.435 0.386 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001049125712 758045136 /nfs/dbraw/zinc/04/51/36/758045136.db2.gz HKYLDJLFSDTGPO-JYJNAYRXSA-N 1 2 348.447 0.906 20 30 ECEDLO C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001011626137 758161813 /nfs/dbraw/zinc/16/18/13/758161813.db2.gz QWUIFXMVMFTHOX-WCQYABFASA-N 1 2 326.360 0.502 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2oc(C)nc2C)C[C@H]1O ZINC001077158980 758376583 /nfs/dbraw/zinc/37/65/83/758376583.db2.gz HXHWZADUXMDXSM-OWCLPIDISA-N 1 2 346.431 0.050 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2oc(C)nc2C)C[C@H]1O ZINC001077158980 758376593 /nfs/dbraw/zinc/37/65/93/758376593.db2.gz HXHWZADUXMDXSM-OWCLPIDISA-N 1 2 346.431 0.050 20 30 ECEDLO CC#CCCCC(=O)N(C)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1O ZINC001049245903 758423788 /nfs/dbraw/zinc/42/37/88/758423788.db2.gz HITFFPDSDLWAHP-HOTGVXAUSA-N 1 2 346.431 0.186 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001077185914 758446996 /nfs/dbraw/zinc/44/69/96/758446996.db2.gz WVGIWFIZJBBOLI-ZFWWWQNUSA-N 1 2 349.435 0.365 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N(C)[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1O ZINC001049267749 758459109 /nfs/dbraw/zinc/45/91/09/758459109.db2.gz CCPDBBYLXQIJNH-BPUTZDHNSA-N 1 2 348.447 0.975 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N(C)[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1O ZINC001049267749 758459111 /nfs/dbraw/zinc/45/91/11/758459111.db2.gz CCPDBBYLXQIJNH-BPUTZDHNSA-N 1 2 348.447 0.975 20 30 ECEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@H+]([C@H](CC)C(N)=O)C[C@H]1O ZINC001077247465 758600129 /nfs/dbraw/zinc/60/01/29/758600129.db2.gz YTDRZZAHRDAWNL-RBSFLKMASA-N 1 2 347.415 0.290 20 30 ECEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+]([C@H](CC)C(N)=O)C[C@H]1O ZINC001077247465 758600137 /nfs/dbraw/zinc/60/01/37/758600137.db2.gz YTDRZZAHRDAWNL-RBSFLKMASA-N 1 2 347.415 0.290 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001011829343 758684938 /nfs/dbraw/zinc/68/49/38/758684938.db2.gz FHTSZPANUQAQSG-FZMZJTMJSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001011829343 758684940 /nfs/dbraw/zinc/68/49/40/758684940.db2.gz FHTSZPANUQAQSG-FZMZJTMJSA-N 1 2 340.387 0.961 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC001049449912 758723125 /nfs/dbraw/zinc/72/31/25/758723125.db2.gz OCWLFGDUDGVBHF-DCGLDWPTSA-N 1 2 334.420 0.585 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]21 ZINC001022565038 758893605 /nfs/dbraw/zinc/89/36/05/758893605.db2.gz RLQWUEFNHTWVGW-KCQAQPDRSA-N 1 2 329.404 0.572 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001022573708 758903555 /nfs/dbraw/zinc/90/35/55/758903555.db2.gz WFSHUNHHXVFMEF-KCQAQPDRSA-N 1 2 342.399 0.852 20 30 ECEDLO N#Cc1nccnc1N1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001049701613 759113231 /nfs/dbraw/zinc/11/32/31/759113231.db2.gz OLHQIDGUITYMPK-OLZOCXBDSA-N 1 2 337.387 0.599 20 30 ECEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCCn2cnc(C#N)n2)C1 ZINC000347619301 759122332 /nfs/dbraw/zinc/12/23/32/759122332.db2.gz BPDMMPJNDRVKNG-GFCCVEGCSA-N 1 2 328.380 0.472 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1cnn(C)n1 ZINC001049733027 759144818 /nfs/dbraw/zinc/14/48/18/759144818.db2.gz URIRCNXTVDVWDI-VQHPVUNQSA-N 1 2 345.447 0.972 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cnn(C)n1 ZINC001049733027 759144823 /nfs/dbraw/zinc/14/48/23/759144823.db2.gz URIRCNXTVDVWDI-VQHPVUNQSA-N 1 2 345.447 0.972 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cn(C)nn1 ZINC001049734530 759147166 /nfs/dbraw/zinc/14/71/66/759147166.db2.gz FCYIHNKEVPSWOU-NCOADZHNSA-N 1 2 345.447 0.972 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cn(C)nn1 ZINC001049734530 759147171 /nfs/dbraw/zinc/14/71/71/759147171.db2.gz FCYIHNKEVPSWOU-NCOADZHNSA-N 1 2 345.447 0.972 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3noc(CC)n3)C2)nn1 ZINC001022828242 759151938 /nfs/dbraw/zinc/15/19/38/759151938.db2.gz BBCGXXSIZUTXFJ-TXEJJXNPSA-N 1 2 345.407 0.850 20 30 ECEDLO C=CCCOCC(=O)N[C@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001051691287 762700229 /nfs/dbraw/zinc/70/02/29/762700229.db2.gz BUVWKNRARUJPHI-KGLIPLIRSA-N 1 2 334.420 0.898 20 30 ECEDLO Cn1nc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)ccc1=O ZINC001032172968 759358044 /nfs/dbraw/zinc/35/80/44/759358044.db2.gz IRMZLEJAJUMDBE-UHFFFAOYSA-N 1 2 337.383 0.514 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]c3ccccc3c2OC)C1 ZINC001047643883 759390821 /nfs/dbraw/zinc/39/08/21/759390821.db2.gz WLTISHGABXVIFY-GJZGRUSLSA-N 1 2 327.384 0.927 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]c3ccccc3c2OC)C1 ZINC001047643883 759390829 /nfs/dbraw/zinc/39/08/29/759390829.db2.gz WLTISHGABXVIFY-GJZGRUSLSA-N 1 2 327.384 0.927 20 30 ECEDLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001050103188 759708264 /nfs/dbraw/zinc/70/82/64/759708264.db2.gz JPZWGHCFGQVKTE-NEPJUHHUSA-N 1 2 335.433 0.562 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC001050154287 759813814 /nfs/dbraw/zinc/81/38/14/759813814.db2.gz NTCJRRKWMIGWDJ-ARFHVFGLSA-N 1 2 338.473 0.757 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC001050154287 759813820 /nfs/dbraw/zinc/81/38/20/759813820.db2.gz NTCJRRKWMIGWDJ-ARFHVFGLSA-N 1 2 338.473 0.757 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H]([C@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001050297741 760079011 /nfs/dbraw/zinc/07/90/11/760079011.db2.gz PJECQWFXTVOMBD-GJZGRUSLSA-N 1 2 348.447 0.909 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001012497962 760097938 /nfs/dbraw/zinc/09/79/38/760097938.db2.gz QFHLRUZNFZCMGX-BXUZGUMPSA-N 1 2 340.387 0.582 20 30 ECEDLO O=C(C#CC1CC1)N1CC2(C1)CC[NH+](Cc1nnnn1C1CC1)CC2 ZINC001050515814 760410219 /nfs/dbraw/zinc/41/02/19/760410219.db2.gz OLGAFQRRIOXSCA-UHFFFAOYSA-N 1 2 340.431 0.846 20 30 ECEDLO C[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@H]2CNc2nccnc2C#N)C1 ZINC001060224837 760464680 /nfs/dbraw/zinc/46/46/80/760464680.db2.gz AEMISJVNWHYZCD-DZGCQCFKSA-N 1 2 344.419 0.472 20 30 ECEDLO C[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@H]2CNc2nccnc2C#N)C1 ZINC001060224837 760464688 /nfs/dbraw/zinc/46/46/88/760464688.db2.gz AEMISJVNWHYZCD-DZGCQCFKSA-N 1 2 344.419 0.472 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3cc(C)on3)nn2)C1 ZINC001107123153 760470986 /nfs/dbraw/zinc/47/09/86/760470986.db2.gz XJARMPGMMVSHJW-UHFFFAOYSA-N 1 2 346.391 0.564 20 30 ECEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2COCCO2)c1 ZINC001032290462 760562357 /nfs/dbraw/zinc/56/23/57/760562357.db2.gz PWSRWCWSFNGZPI-ULQDDVLXSA-N 1 2 327.384 0.759 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2COCCO2)c1 ZINC001032290462 760562360 /nfs/dbraw/zinc/56/23/60/760562360.db2.gz PWSRWCWSFNGZPI-ULQDDVLXSA-N 1 2 327.384 0.759 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC2(C1)CC[NH+](Cc1nc(=O)n(C)[nH]1)CC2 ZINC001050617265 760578420 /nfs/dbraw/zinc/57/84/20/760578420.db2.gz FIPZNIJZLUCVIC-UHFFFAOYSA-N 1 2 333.436 0.745 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001012908422 760804832 /nfs/dbraw/zinc/80/48/32/760804832.db2.gz OPNMVROFGCBDNN-ABAIWWIYSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001012908422 760804842 /nfs/dbraw/zinc/80/48/42/760804842.db2.gz OPNMVROFGCBDNN-ABAIWWIYSA-N 1 2 340.387 0.961 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3ccon3)nn2)C1 ZINC001107137128 760853803 /nfs/dbraw/zinc/85/38/03/760853803.db2.gz NXOGIOYWZMSLEN-UHFFFAOYSA-N 1 2 332.364 0.255 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)Cn1cc[nH+]c1 ZINC001013030646 760974091 /nfs/dbraw/zinc/97/40/91/760974091.db2.gz HECJGDKSSWCBDH-WCQYABFASA-N 1 2 326.360 0.502 20 30 ECEDLO CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2cc(C#N)c[nH]2)C1=O ZINC001017455840 768003415 /nfs/dbraw/zinc/00/34/15/768003415.db2.gz SJHGNVZMMPWBEJ-LZWOXQAQSA-N 1 2 341.415 0.796 20 30 ECEDLO CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2cc(C#N)c[nH]2)C1=O ZINC001017455840 768003423 /nfs/dbraw/zinc/00/34/23/768003423.db2.gz SJHGNVZMMPWBEJ-LZWOXQAQSA-N 1 2 341.415 0.796 20 30 ECEDLO Cc1cc(NC(=O)C[N@@H+]2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)on1 ZINC001048727882 761056012 /nfs/dbraw/zinc/05/60/12/761056012.db2.gz OHMPMYJHJGKTML-WCFLWFBJSA-N 1 2 331.376 0.471 20 30 ECEDLO Cc1cc(NC(=O)C[N@H+]2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)on1 ZINC001048727882 761056023 /nfs/dbraw/zinc/05/60/23/761056023.db2.gz OHMPMYJHJGKTML-WCFLWFBJSA-N 1 2 331.376 0.471 20 30 ECEDLO C=CCN1CCOC[C@H]1CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001050925071 761153203 /nfs/dbraw/zinc/15/32/03/761153203.db2.gz OCOBWCYNUIEWFM-CZUORRHYSA-N 1 2 333.436 0.793 20 30 ECEDLO C=CCN1CCOC[C@H]1CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001050925071 761153207 /nfs/dbraw/zinc/15/32/07/761153207.db2.gz OCOBWCYNUIEWFM-CZUORRHYSA-N 1 2 333.436 0.793 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCN1c1ncccn1 ZINC001050964565 761234621 /nfs/dbraw/zinc/23/46/21/761234621.db2.gz HGOGEVYORZILGC-HOTGVXAUSA-N 1 2 345.447 0.839 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCN1c1ncccn1 ZINC001050964565 761234625 /nfs/dbraw/zinc/23/46/25/761234625.db2.gz HGOGEVYORZILGC-HOTGVXAUSA-N 1 2 345.447 0.839 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001050990587 761284520 /nfs/dbraw/zinc/28/45/20/761284520.db2.gz JFJVVZHOSUTMBH-LBPRGKRZSA-N 1 2 331.376 0.670 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001050990587 761284528 /nfs/dbraw/zinc/28/45/28/761284528.db2.gz JFJVVZHOSUTMBH-LBPRGKRZSA-N 1 2 331.376 0.670 20 30 ECEDLO C=CCOCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001050993529 761289086 /nfs/dbraw/zinc/28/90/86/761289086.db2.gz NPGWSBFLGJRWNF-KBPBESRZSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCOCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001050993529 761289091 /nfs/dbraw/zinc/28/90/91/761289091.db2.gz NPGWSBFLGJRWNF-KBPBESRZSA-N 1 2 334.420 0.898 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccnc2c1CC(=O)N2 ZINC001051001763 761313296 /nfs/dbraw/zinc/31/32/96/761313296.db2.gz XAFUZSZHELZEFZ-CYBMUJFWSA-N 1 2 344.415 0.973 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccnc2c1CC(=O)N2 ZINC001051001763 761313304 /nfs/dbraw/zinc/31/33/04/761313304.db2.gz XAFUZSZHELZEFZ-CYBMUJFWSA-N 1 2 344.415 0.973 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCc2nc(C)nn2C1 ZINC001051043286 761382316 /nfs/dbraw/zinc/38/23/16/761382316.db2.gz ITCHZCYWQQBPKS-LSDHHAIUSA-N 1 2 333.436 0.542 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCc2nc(C)nn2C1 ZINC001051043286 761382326 /nfs/dbraw/zinc/38/23/26/761382326.db2.gz ITCHZCYWQQBPKS-LSDHHAIUSA-N 1 2 333.436 0.542 20 30 ECEDLO C=CCCOCC(=O)N[C@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001051059835 761415419 /nfs/dbraw/zinc/41/54/19/761415419.db2.gz MBFBOPWGMZZLAP-CABCVRRESA-N 1 2 334.420 0.829 20 30 ECEDLO Cc1nc(NC[C@@H](O)CNC(=O)CSCC#N)c2c([nH+]1)CCCC2 ZINC001105753921 761527993 /nfs/dbraw/zinc/52/79/93/761527993.db2.gz DKAWPXTUXCEHKY-LBPRGKRZSA-N 1 2 349.460 0.810 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2COCC[N@@H+]2C[C@@H]2CCOC2)nn1 ZINC001051157316 761581749 /nfs/dbraw/zinc/58/17/49/761581749.db2.gz LRGRGAMWEPPYBZ-GJZGRUSLSA-N 1 2 349.435 0.321 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2COCC[N@H+]2C[C@@H]2CCOC2)nn1 ZINC001051157316 761581753 /nfs/dbraw/zinc/58/17/53/761581753.db2.gz LRGRGAMWEPPYBZ-GJZGRUSLSA-N 1 2 349.435 0.321 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C(=O)NC)nc1 ZINC001051210039 761694230 /nfs/dbraw/zinc/69/42/30/761694230.db2.gz BNGNSVVNDXJQHL-HNNXBMFYSA-N 1 2 346.431 0.838 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C(=O)NC)nc1 ZINC001051210039 761694233 /nfs/dbraw/zinc/69/42/33/761694233.db2.gz BNGNSVVNDXJQHL-HNNXBMFYSA-N 1 2 346.431 0.838 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(CNC(N)=O)cc1 ZINC001051241274 761743811 /nfs/dbraw/zinc/74/38/11/761743811.db2.gz UZIYHUZRYXKMHI-INIZCTEOSA-N 1 2 346.431 0.862 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(CNC(N)=O)cc1 ZINC001051241274 761743819 /nfs/dbraw/zinc/74/38/19/761743819.db2.gz UZIYHUZRYXKMHI-INIZCTEOSA-N 1 2 346.431 0.862 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cncc(C(N)=O)c1 ZINC001051248109 761759240 /nfs/dbraw/zinc/75/92/40/761759240.db2.gz WUDKEAQYJQOMQC-HNNXBMFYSA-N 1 2 332.404 0.577 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cncc(C(N)=O)c1 ZINC001051248109 761759243 /nfs/dbraw/zinc/75/92/43/761759243.db2.gz WUDKEAQYJQOMQC-HNNXBMFYSA-N 1 2 332.404 0.577 20 30 ECEDLO C#Cc1ccc(C(=O)NCc2cccc3c2CC[N@@H+](CC(N)=O)C3)cn1 ZINC001051305516 761857269 /nfs/dbraw/zinc/85/72/69/761857269.db2.gz HMCBAMQTRLUTRG-UHFFFAOYSA-N 1 2 348.406 0.836 20 30 ECEDLO C#Cc1ccc(C(=O)NCc2cccc3c2CC[N@H+](CC(N)=O)C3)cn1 ZINC001051305516 761857278 /nfs/dbraw/zinc/85/72/78/761857278.db2.gz HMCBAMQTRLUTRG-UHFFFAOYSA-N 1 2 348.406 0.836 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cn3nccn3)C2)c(F)c1 ZINC001014565770 762837384 /nfs/dbraw/zinc/83/73/84/762837384.db2.gz NRNRYLMGNXTHGS-CQSZACIVSA-N 1 2 328.351 0.680 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)Cn3nccn3)C2)c(F)c1 ZINC001014565770 762837390 /nfs/dbraw/zinc/83/73/90/762837390.db2.gz NRNRYLMGNXTHGS-CQSZACIVSA-N 1 2 328.351 0.680 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)NC[C@H](O)CNc1ncc(C#N)cc1F ZINC001105928555 762842627 /nfs/dbraw/zinc/84/26/27/762842627.db2.gz VKDOSNYAFGGTKO-ZDUSSCGKSA-N 1 2 346.366 0.348 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001017528175 768087246 /nfs/dbraw/zinc/08/72/46/768087246.db2.gz BCJUKCDNEJUOMI-ZFWWWQNUSA-N 1 2 341.415 0.880 20 30 ECEDLO CN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)CC1=O ZINC001014621475 762918830 /nfs/dbraw/zinc/91/88/30/762918830.db2.gz YBRMLHAGONTHLJ-LSDHHAIUSA-N 1 2 344.390 0.866 20 30 ECEDLO CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)CC1=O ZINC001014621475 762918833 /nfs/dbraw/zinc/91/88/33/762918833.db2.gz YBRMLHAGONTHLJ-LSDHHAIUSA-N 1 2 344.390 0.866 20 30 ECEDLO N#Cc1cnc(NC[C@@H](O)CNC(=O)Cc2[nH]cc[nH+]2)c(Cl)c1 ZINC001105937525 762936840 /nfs/dbraw/zinc/93/68/40/762936840.db2.gz OFCUCUIBEJGSMU-JTQLQIEISA-N 1 2 334.767 0.461 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@H](O)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001105970121 763122522 /nfs/dbraw/zinc/12/25/22/763122522.db2.gz AILZGRBBHCTQED-ZIAGYGMSSA-N 1 2 334.420 0.836 20 30 ECEDLO Cc1cc(C#N)nc(N2CC=C(CNC(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001127664694 763184302 /nfs/dbraw/zinc/18/43/02/763184302.db2.gz VELVOGHWNAZYEC-UHFFFAOYSA-N 1 2 337.387 0.806 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCCn3cccn3)C2)nn1 ZINC001098784413 768118049 /nfs/dbraw/zinc/11/80/49/768118049.db2.gz FSVCJTUVOXQFDN-INIZCTEOSA-N 1 2 341.419 0.451 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3cnsn3)C2)cn1 ZINC001051905847 763295638 /nfs/dbraw/zinc/29/56/38/763295638.db2.gz HUXZBCHPISZJJU-OAHLLOKOSA-N 1 2 343.412 0.545 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001014850432 763302398 /nfs/dbraw/zinc/30/23/98/763302398.db2.gz GJATYZGDXTWUNG-GXTWGEPZSA-N 1 2 340.387 0.892 20 30 ECEDLO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001046953148 763452174 /nfs/dbraw/zinc/45/21/74/763452174.db2.gz AVPFNGXCXQYWGM-OLZOCXBDSA-N 1 2 348.415 0.518 20 30 ECEDLO C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001046953148 763452181 /nfs/dbraw/zinc/45/21/81/763452181.db2.gz AVPFNGXCXQYWGM-OLZOCXBDSA-N 1 2 348.415 0.518 20 30 ECEDLO CN1C[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)NC1=O ZINC001031902801 763478638 /nfs/dbraw/zinc/47/86/38/763478638.db2.gz RBVPNGUIZFXSOO-HNNXBMFYSA-N 1 2 345.378 0.269 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(Cc3cnsn3)CC2)C1 ZINC001051997529 763546832 /nfs/dbraw/zinc/54/68/32/763546832.db2.gz CWEGXWLSFDIXHB-GXTWGEPZSA-N 1 2 334.449 0.416 20 30 ECEDLO Cc1cc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)ncn1 ZINC001051998002 763550265 /nfs/dbraw/zinc/55/02/65/763550265.db2.gz MCJSBNYMFRBCQH-WMLDXEAASA-N 1 2 342.447 0.663 20 30 ECEDLO CCn1nncc1CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001051998477 763551684 /nfs/dbraw/zinc/55/16/84/763551684.db2.gz UUUDGEALQVJKIR-HUUCEWRRSA-N 1 2 345.451 0.176 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3COC(=O)C3)C2)CC1 ZINC001052012729 763583871 /nfs/dbraw/zinc/58/38/71/763583871.db2.gz KPWMNDFBUZDMGM-HZPDHXFCSA-N 1 2 333.432 0.181 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]([NH+]2CCN(Cc3ccon3)CC2)C1 ZINC001052026584 763620241 /nfs/dbraw/zinc/62/02/41/763620241.db2.gz QPNXJRAJAOBFPK-QGZVFWFLSA-N 1 2 328.416 0.807 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001014991451 763626044 /nfs/dbraw/zinc/62/60/44/763626044.db2.gz PMBGJVXFNLFDTI-QWRGUYRKSA-N 1 2 325.800 0.489 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001014991451 763626049 /nfs/dbraw/zinc/62/60/49/763626049.db2.gz PMBGJVXFNLFDTI-QWRGUYRKSA-N 1 2 325.800 0.489 20 30 ECEDLO N#Cc1cccnc1NC[C@@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001106006243 763627626 /nfs/dbraw/zinc/62/76/26/763627626.db2.gz BJPKRAHPDBWJAO-SWLSCSKDSA-N 1 2 340.387 0.301 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3cnn(C)c3C)C2)CC1 ZINC001052032483 763635304 /nfs/dbraw/zinc/63/53/04/763635304.db2.gz HDUSFJOYWPMZKY-KRWDZBQOSA-N 1 2 329.448 0.123 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3ccncn3)C2)CC1 ZINC001052032739 763635557 /nfs/dbraw/zinc/63/55/57/763635557.db2.gz JKBRHXMFPISKBA-GOSISDBHSA-N 1 2 341.459 0.651 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3ccn(C)n3)C2)CC1 ZINC001052036102 763646665 /nfs/dbraw/zinc/64/66/65/763646665.db2.gz ZNRVQWPQGMVYKA-GOSISDBHSA-N 1 2 343.475 0.595 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ncc(C)cc3OC)C2)CC1 ZINC001052038232 763658027 /nfs/dbraw/zinc/65/80/27/763658027.db2.gz ZMQHKRPICQQGEW-INIZCTEOSA-N 1 2 342.443 0.864 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ncc(C)cc3OC)C2)CC1 ZINC001052038232 763658030 /nfs/dbraw/zinc/65/80/30/763658030.db2.gz ZMQHKRPICQQGEW-INIZCTEOSA-N 1 2 342.443 0.864 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCCC(=O)N3)C2)CC1 ZINC001052041192 763665370 /nfs/dbraw/zinc/66/53/70/763665370.db2.gz VHWGZCRZPHNTFY-JKSUJKDBSA-N 1 2 334.464 0.450 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc4nc[nH]c4n3)C2)CC1 ZINC001052041325 763666867 /nfs/dbraw/zinc/66/68/67/763666867.db2.gz YZEWIOYVSJVXOD-CYBMUJFWSA-N 1 2 339.403 0.314 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(OC)nc3)C2)CC1 ZINC001052047568 763691422 /nfs/dbraw/zinc/69/14/22/763691422.db2.gz RAXVDQPORMNOBP-INIZCTEOSA-N 1 2 328.416 0.556 20 30 ECEDLO COc1cc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)ccn1 ZINC001052048181 763695404 /nfs/dbraw/zinc/69/54/04/763695404.db2.gz NFRFMXXYMNRFRE-OAHLLOKOSA-N 1 2 329.404 0.446 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3CCCC(=O)N3)C2)CC1 ZINC001052048661 763697528 /nfs/dbraw/zinc/69/75/28/763697528.db2.gz AJAVUPYSIXTQIC-DLBZAZTESA-N 1 2 346.475 0.287 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccnc(OC)c3)C2)CC1 ZINC001052048605 763698089 /nfs/dbraw/zinc/69/80/89/763698089.db2.gz YWWHLTDATGOAGO-KRWDZBQOSA-N 1 2 342.443 0.946 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3ncccc3OC)C2)CC1 ZINC001052068427 763761921 /nfs/dbraw/zinc/76/19/21/763761921.db2.gz IQIYMVKLDBGPHI-MRXNPFEDSA-N 1 2 342.443 0.484 20 30 ECEDLO C=C1CCC(C(=O)N2CC[C@H]([NH+]3CCN([C@@H](C)C(N)=O)CC3)C2)CC1 ZINC001052072908 763776923 /nfs/dbraw/zinc/77/69/23/763776923.db2.gz CCXLENSTTWSUIE-RDJZCZTQSA-N 1 2 348.491 0.825 20 30 ECEDLO CCc1c(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)nnn1CC ZINC001052079480 763793881 /nfs/dbraw/zinc/79/38/81/763793881.db2.gz AMEWZYUCOVYGDA-CQSZACIVSA-N 1 2 345.451 0.216 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ncn(C(C)(C)C)n3)C2)CC1 ZINC001052084295 763808831 /nfs/dbraw/zinc/80/88/31/763808831.db2.gz USETZFBFCDJBRE-HNNXBMFYSA-N 1 2 344.463 0.498 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ncn(C(C)(C)C)n3)C2)CC1 ZINC001052084295 763808840 /nfs/dbraw/zinc/80/88/40/763808840.db2.gz USETZFBFCDJBRE-HNNXBMFYSA-N 1 2 344.463 0.498 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@@H](C2CC[NH+](Cc3nnnn3C)CC2)C1 ZINC001047226603 763816170 /nfs/dbraw/zinc/81/61/70/763816170.db2.gz RSCGUOLBARJNHE-UKRRQHHQSA-N 1 2 345.451 0.820 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cncc(OC)n3)C2)CC1 ZINC001052092818 763834285 /nfs/dbraw/zinc/83/42/85/763834285.db2.gz FACXSIAJHZQTOP-CQSZACIVSA-N 1 2 331.420 0.503 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc4cccnn34)C2)CC1 ZINC001052093064 763835423 /nfs/dbraw/zinc/83/54/23/763835423.db2.gz JVZIFBIFAZQNNN-HNNXBMFYSA-N 1 2 340.431 0.747 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn(CCC=C)nn3)C2)CC1 ZINC001052095918 763844981 /nfs/dbraw/zinc/84/49/81/763844981.db2.gz BNSAGPAWPRAYAP-MRXNPFEDSA-N 1 2 342.447 0.320 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn(CCC=C)nn3)C2)CC1 ZINC001052095918 763844991 /nfs/dbraw/zinc/84/49/91/763844991.db2.gz BNSAGPAWPRAYAP-MRXNPFEDSA-N 1 2 342.447 0.320 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnoc3C3CC3)C2)CC1 ZINC001052105948 763879010 /nfs/dbraw/zinc/87/90/10/763879010.db2.gz WKWKHWDKOHXNKP-CQSZACIVSA-N 1 2 329.404 0.908 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001017596961 768171870 /nfs/dbraw/zinc/17/18/70/768171870.db2.gz PVEBQYSWDAOYAT-HRCADAONSA-N 1 2 333.432 0.180 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001017596961 768171874 /nfs/dbraw/zinc/17/18/74/768171874.db2.gz PVEBQYSWDAOYAT-HRCADAONSA-N 1 2 333.432 0.180 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@]3(C)CCN(C(C)=O)C3)C2)CC1 ZINC001052106272 763880600 /nfs/dbraw/zinc/88/06/00/763880600.db2.gz GXAOJAQMNQOPPW-MJGOQNOKSA-N 1 2 346.475 0.097 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccnc3OCC)C2)CC1 ZINC001052112790 763907639 /nfs/dbraw/zinc/90/76/39/763907639.db2.gz DOKODCVRRTVVPT-MRXNPFEDSA-N 1 2 342.443 0.946 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccnc3OCC)C2)CC1 ZINC001052112790 763907645 /nfs/dbraw/zinc/90/76/45/763907645.db2.gz DOKODCVRRTVVPT-MRXNPFEDSA-N 1 2 342.443 0.946 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cncnc3C3CC3)C2)CC1 ZINC001052113235 763910605 /nfs/dbraw/zinc/91/06/05/763910605.db2.gz PXKIWNDBCAHCHW-OAHLLOKOSA-N 1 2 340.431 0.710 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCCC(=O)N3C)C2)CC1 ZINC001052113258 763911341 /nfs/dbraw/zinc/91/13/41/763911341.db2.gz QPBDXAHNLHOCBZ-DLBZAZTESA-N 1 2 346.475 0.239 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cncc(C(N)=O)c3)C2)CC1 ZINC001052117277 763926646 /nfs/dbraw/zinc/92/66/46/763926646.db2.gz COGNSRICUYYYIU-MRXNPFEDSA-N 1 2 343.431 0.199 20 30 ECEDLO CCc1onc(C)c1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052117549 763928707 /nfs/dbraw/zinc/92/87/07/763928707.db2.gz SEPNAHZFGIOCBT-AWEZNQCLSA-N 1 2 331.420 0.901 20 30 ECEDLO C=CCN1CC[C@@H](N2CC(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1=O ZINC001030555023 763934049 /nfs/dbraw/zinc/93/40/49/763934049.db2.gz SAYGGBSAWOZEDB-CZUORRHYSA-N 1 2 343.431 0.033 20 30 ECEDLO C=C(Cl)CN1CCN([C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001052123100 763948836 /nfs/dbraw/zinc/94/88/36/763948836.db2.gz BNIQABVOSBMSNM-OAHLLOKOSA-N 1 2 337.855 0.854 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3csc(COC)n3)C2)CC1 ZINC001052123648 763950081 /nfs/dbraw/zinc/95/00/81/763950081.db2.gz LEOQXQIVOATLQS-AWEZNQCLSA-N 1 2 348.472 0.755 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3csc(COC)n3)C2)CC1 ZINC001052123648 763950086 /nfs/dbraw/zinc/95/00/86/763950086.db2.gz LEOQXQIVOATLQS-AWEZNQCLSA-N 1 2 348.472 0.755 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCN3C(N)=O)C2)CC1 ZINC001052123689 763950250 /nfs/dbraw/zinc/95/02/50/763950250.db2.gz MUBCOSFZGBIERE-HOTGVXAUSA-N 1 2 349.479 0.324 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@H]1C ZINC001088864646 763962520 /nfs/dbraw/zinc/96/25/20/763962520.db2.gz XBDHUKMYRJLLPR-ZNSHCXBVSA-N 1 2 330.226 0.595 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@H]1C ZINC001088864646 763962527 /nfs/dbraw/zinc/96/25/27/763962527.db2.gz XBDHUKMYRJLLPR-ZNSHCXBVSA-N 1 2 330.226 0.595 20 30 ECEDLO CN(C(=O)c1cncnc1)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047357015 764099802 /nfs/dbraw/zinc/09/98/02/764099802.db2.gz LPUSOFPWTOABQQ-ROUUACIJSA-N 1 2 336.395 0.645 20 30 ECEDLO CN(C(=O)c1cncnc1)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047357015 764099813 /nfs/dbraw/zinc/09/98/13/764099813.db2.gz LPUSOFPWTOABQQ-ROUUACIJSA-N 1 2 336.395 0.645 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCc3nccs3)C2)nn1 ZINC001098784873 768190705 /nfs/dbraw/zinc/19/07/05/768190705.db2.gz LTYFDNVAOZEVOR-AWEZNQCLSA-N 1 2 344.444 0.864 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc([C@@H]3CCCO3)n2)C1 ZINC001047380064 764168641 /nfs/dbraw/zinc/16/86/41/764168641.db2.gz XKXNBFCYYFVUPH-IHRRRGAJSA-N 1 2 335.429 0.745 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc([C@@H]3CCCO3)n2)C1 ZINC001047380064 764168648 /nfs/dbraw/zinc/16/86/48/764168648.db2.gz XKXNBFCYYFVUPH-IHRRRGAJSA-N 1 2 335.429 0.745 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)(F)F)n(C)n2)C1 ZINC001047395777 764204772 /nfs/dbraw/zinc/20/47/72/764204772.db2.gz LCMXQMCDZICGQN-RYUDHWBXSA-N 1 2 344.337 0.579 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)(F)F)n(C)n2)C1 ZINC001047395777 764204779 /nfs/dbraw/zinc/20/47/79/764204779.db2.gz LCMXQMCDZICGQN-RYUDHWBXSA-N 1 2 344.337 0.579 20 30 ECEDLO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001052312641 764229735 /nfs/dbraw/zinc/22/97/35/764229735.db2.gz DHQQBRDTZUCBAD-DGCLKSJQSA-N 1 2 340.387 0.676 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001106066241 764273384 /nfs/dbraw/zinc/27/33/84/764273384.db2.gz AIHMDDIYGYESJN-NEPJUHHUSA-N 1 2 332.408 0.855 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1OC ZINC001212189094 764336145 /nfs/dbraw/zinc/33/61/45/764336145.db2.gz QZIBTADVCXQTKY-IAGOWNOFSA-N 1 2 349.475 0.864 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1OC ZINC001212189094 764336149 /nfs/dbraw/zinc/33/61/49/764336149.db2.gz QZIBTADVCXQTKY-IAGOWNOFSA-N 1 2 349.475 0.864 20 30 ECEDLO CN(CCOCCNc1cnc(C#N)cn1)C(=O)Cn1cc[nH+]c1 ZINC001127329013 768209073 /nfs/dbraw/zinc/20/90/73/768209073.db2.gz QYGNBDMAQBJGFB-UHFFFAOYSA-N 1 2 329.364 0.132 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3cc(OC)ccn23)C1 ZINC001047458545 764407394 /nfs/dbraw/zinc/40/73/94/764407394.db2.gz SFJMHEUHERCXPX-GJZGRUSLSA-N 1 2 328.372 0.093 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3cc(OC)ccn23)C1 ZINC001047458545 764407403 /nfs/dbraw/zinc/40/74/03/764407403.db2.gz SFJMHEUHERCXPX-GJZGRUSLSA-N 1 2 328.372 0.093 20 30 ECEDLO C[C@@H](C#N)C(=O)NCC[NH2+]Cc1csc(CS(C)(=O)=O)n1 ZINC001124902527 764539291 /nfs/dbraw/zinc/53/92/91/764539291.db2.gz JUNPIZKEKVZTAZ-VIFPVBQESA-N 1 2 330.435 0.053 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1CNC(=O)C#CC1CC1 ZINC001052473513 764581188 /nfs/dbraw/zinc/58/11/88/764581188.db2.gz ZMTVTIQLXITRMC-ZFWWWQNUSA-N 1 2 328.416 0.966 20 30 ECEDLO C#CCCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001052478370 764590114 /nfs/dbraw/zinc/59/01/14/764590114.db2.gz PJCPOABUMQOKOP-CABCVRRESA-N 1 2 330.432 0.977 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2cncn2C)C[C@@H]1O ZINC001047529402 764607625 /nfs/dbraw/zinc/60/76/25/764607625.db2.gz BDZFPZRGYMNTNE-UGUYLWEFSA-N 1 2 334.420 0.015 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2cncn2C)C[C@@H]1O ZINC001047529402 764607630 /nfs/dbraw/zinc/60/76/30/764607630.db2.gz BDZFPZRGYMNTNE-UGUYLWEFSA-N 1 2 334.420 0.015 20 30 ECEDLO C[C@@H]1CCO[C@@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047533648 764619595 /nfs/dbraw/zinc/61/95/95/764619595.db2.gz CGPUHPUHJHWOPI-QCSYZSNVSA-N 1 2 343.427 0.987 20 30 ECEDLO C[C@@H]1CCO[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047533648 764619604 /nfs/dbraw/zinc/61/96/04/764619604.db2.gz CGPUHPUHJHWOPI-QCSYZSNVSA-N 1 2 343.427 0.987 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](NC(=O)c2[nH]nnc2C)C1 ZINC001015479505 764740351 /nfs/dbraw/zinc/74/03/51/764740351.db2.gz KIBTUNAPHJCUPJ-CQSZACIVSA-N 1 2 340.387 0.998 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)c2[nH]nnc2C)C1 ZINC001015479505 764740356 /nfs/dbraw/zinc/74/03/56/764740356.db2.gz KIBTUNAPHJCUPJ-CQSZACIVSA-N 1 2 340.387 0.998 20 30 ECEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1)C2 ZINC001047578846 764758922 /nfs/dbraw/zinc/75/89/22/764758922.db2.gz GMXFLVDNGSHEKG-XHSDSOJGSA-N 1 2 346.431 0.972 20 30 ECEDLO CN1CC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)C1=O ZINC001015565077 764972456 /nfs/dbraw/zinc/97/24/56/764972456.db2.gz YELYXCPDYBGHLI-HOTGVXAUSA-N 1 2 326.400 0.727 20 30 ECEDLO CN1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1=O ZINC001015565077 764972460 /nfs/dbraw/zinc/97/24/60/764972460.db2.gz YELYXCPDYBGHLI-HOTGVXAUSA-N 1 2 326.400 0.727 20 30 ECEDLO CCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cncc(C#N)n2)C1 ZINC001052710953 765026214 /nfs/dbraw/zinc/02/62/14/765026214.db2.gz CFNROQBMITWSQJ-CHWSQXEVSA-N 1 2 325.376 0.898 20 30 ECEDLO CCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2nccnc2C#N)C1 ZINC001052711686 765027692 /nfs/dbraw/zinc/02/76/92/765027692.db2.gz WTYINVLLMXTWSI-DGCLKSJQSA-N 1 2 325.376 0.898 20 30 ECEDLO CCCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccnc(C#N)n2)C1 ZINC001052718738 765040075 /nfs/dbraw/zinc/04/00/75/765040075.db2.gz MVLBTZQXRSQNLF-CHWSQXEVSA-N 1 2 339.403 0.710 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccncc2C#N)C1 ZINC001052727188 765047677 /nfs/dbraw/zinc/04/76/77/765047677.db2.gz HUAULTMZYBIEBR-XNRPHZJLSA-N 1 2 349.398 0.675 20 30 ECEDLO C=CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001052799732 765142493 /nfs/dbraw/zinc/14/24/93/765142493.db2.gz UGJWTWQYRBGPKL-CYBMUJFWSA-N 1 2 344.419 0.618 20 30 ECEDLO C=CCC[N@H+]1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001052799732 765142498 /nfs/dbraw/zinc/14/24/98/765142498.db2.gz UGJWTWQYRBGPKL-CYBMUJFWSA-N 1 2 344.419 0.618 20 30 ECEDLO C#CCOCCC(=O)NC[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001052814325 765170469 /nfs/dbraw/zinc/17/04/69/765170469.db2.gz MHOYOLQSTRLSBE-GJZGRUSLSA-N 1 2 346.431 0.593 20 30 ECEDLO C#CCOCCC(=O)NC[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001052814325 765170476 /nfs/dbraw/zinc/17/04/76/765170476.db2.gz MHOYOLQSTRLSBE-GJZGRUSLSA-N 1 2 346.431 0.593 20 30 ECEDLO C=CCCOCC(=O)N1C[C@H](C)[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001052833139 765199868 /nfs/dbraw/zinc/19/98/68/765199868.db2.gz ISDMQBGQFIIUOR-GJZGRUSLSA-N 1 2 348.447 0.766 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccnc(OC)n2)C1 ZINC001015721458 765238616 /nfs/dbraw/zinc/23/86/16/765238616.db2.gz JPGVKLZHMQJHCV-ZNMIVQPWSA-N 1 2 332.404 0.767 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccnc(OC)n2)C1 ZINC001015721458 765238623 /nfs/dbraw/zinc/23/86/23/765238623.db2.gz JPGVKLZHMQJHCV-ZNMIVQPWSA-N 1 2 332.404 0.767 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(OC)nn2)C1 ZINC001015722034 765239073 /nfs/dbraw/zinc/23/90/73/765239073.db2.gz RDAZIUCQFHPXFI-CFVMTHIKSA-N 1 2 332.404 0.767 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(OC)nn2)C1 ZINC001015722034 765239075 /nfs/dbraw/zinc/23/90/75/765239075.db2.gz RDAZIUCQFHPXFI-CFVMTHIKSA-N 1 2 332.404 0.767 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001052865503 765250870 /nfs/dbraw/zinc/25/08/70/765250870.db2.gz AGTQAHTWSUKVQJ-LSDHHAIUSA-N 1 2 332.404 0.134 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001053034652 765508639 /nfs/dbraw/zinc/50/86/39/765508639.db2.gz RYHDEEPANWDYNN-HUUCEWRRSA-N 1 2 346.431 0.213 20 30 ECEDLO C=CCn1cc(C(=O)NCC2CC(NC(=O)Cc3c[nH]c[nH+]3)C2)nn1 ZINC000992114952 765529803 /nfs/dbraw/zinc/52/98/03/765529803.db2.gz ZICMTXOBVKFJFC-UHFFFAOYSA-N 1 2 343.391 0.055 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1nnc(-c2ccco2)n1 ZINC001017697057 768302697 /nfs/dbraw/zinc/30/26/97/768302697.db2.gz YMMNPNRLTWTSCC-OKILXGFUSA-N 1 2 340.387 0.632 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1nnc(-c2ccco2)n1 ZINC001017697057 768302703 /nfs/dbraw/zinc/30/27/03/768302703.db2.gz YMMNPNRLTWTSCC-OKILXGFUSA-N 1 2 340.387 0.632 20 30 ECEDLO N#Cc1nccc(N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)Cn2cc[nH+]c2)C3)n1 ZINC001054827594 768305331 /nfs/dbraw/zinc/30/53/31/768305331.db2.gz PGPGPVYMGMQFJI-MJBXVCDLSA-N 1 2 337.387 0.458 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H](C)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106443529 768311841 /nfs/dbraw/zinc/31/18/41/768311841.db2.gz ZLSPSOBXSFPYFH-NWDGAFQWSA-N 1 2 334.424 0.591 20 30 ECEDLO N#Cc1cncc(NC[C@H](O)CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)n1 ZINC001106103869 765746907 /nfs/dbraw/zinc/74/69/07/765746907.db2.gz FAKWLEHGOOUWRW-RYUDHWBXSA-N 1 2 341.375 0.080 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3c(C)nn(C)c3F)C2)C1=O ZINC001016131020 765826767 /nfs/dbraw/zinc/82/67/67/765826767.db2.gz NJECDXRWGSILIA-STQMWFEESA-N 1 2 349.410 0.459 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3c(C)nn(C)c3F)C2)C1=O ZINC001016131020 765826772 /nfs/dbraw/zinc/82/67/72/765826772.db2.gz NJECDXRWGSILIA-STQMWFEESA-N 1 2 349.410 0.459 20 30 ECEDLO Cn1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)ccc1=O ZINC001016181886 765875478 /nfs/dbraw/zinc/87/54/78/765875478.db2.gz KSKHIPRMSLLUKL-HNNXBMFYSA-N 1 2 337.383 0.656 20 30 ECEDLO Cn1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)ccc1=O ZINC001016181886 765875486 /nfs/dbraw/zinc/87/54/86/765875486.db2.gz KSKHIPRMSLLUKL-HNNXBMFYSA-N 1 2 337.383 0.656 20 30 ECEDLO NC(=O)c1nccnc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001016204191 765901567 /nfs/dbraw/zinc/90/15/67/765901567.db2.gz AAAFYERLQISUBJ-HNNXBMFYSA-N 1 2 349.394 0.431 20 30 ECEDLO NC(=O)c1nccnc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001016204191 765901571 /nfs/dbraw/zinc/90/15/71/765901571.db2.gz AAAFYERLQISUBJ-HNNXBMFYSA-N 1 2 349.394 0.431 20 30 ECEDLO CC#CCN1CC2(C1)CN(C(=O)[C@H]1CCc3[nH+]c(C)[nH]c3C1)CCO2 ZINC001053315671 765956103 /nfs/dbraw/zinc/95/61/03/765956103.db2.gz IKULGVKQGYOJOT-HNNXBMFYSA-N 1 2 342.443 0.760 20 30 ECEDLO CC#CCN1CC2(C1)CN(C(=O)[C@H]1CCc3[nH]c(C)[nH+]c3C1)CCO2 ZINC001053315671 765956112 /nfs/dbraw/zinc/95/61/12/765956112.db2.gz IKULGVKQGYOJOT-HNNXBMFYSA-N 1 2 342.443 0.760 20 30 ECEDLO C=CCn1cc(C(=O)N2CCOC3(C[NH+](CCC(=C)C)C3)C2)nn1 ZINC001053463443 766175658 /nfs/dbraw/zinc/17/56/58/766175658.db2.gz DKCSYWWDPRRENR-UHFFFAOYSA-N 1 2 331.420 0.957 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1noc3c1COCC3)CCO2 ZINC001053537348 766300809 /nfs/dbraw/zinc/30/08/09/766300809.db2.gz BVAPFPHPMCHILE-UHFFFAOYSA-N 1 2 333.388 0.850 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cc1ccc(C(N)=O)cc1)CCO2 ZINC001053547405 766314000 /nfs/dbraw/zinc/31/40/00/766314000.db2.gz SOJYIZUDHAAOSA-UHFFFAOYSA-N 1 2 343.427 0.817 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnn(CCOC)c1C)O2 ZINC001053599360 766405625 /nfs/dbraw/zinc/40/56/25/766405625.db2.gz RFNFCHIGHIBNNL-HNNXBMFYSA-N 1 2 348.447 0.987 20 30 ECEDLO C=CCN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCn3c[nH+]cc3C1)O2 ZINC001053617820 766443244 /nfs/dbraw/zinc/44/32/44/766443244.db2.gz HMEMEAZNEUUXFQ-HOCLYGCPSA-N 1 2 330.432 0.981 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCC3N=NC(=O)N3C1)O2 ZINC001053619588 766450494 /nfs/dbraw/zinc/45/04/94/766450494.db2.gz SWTOGJNWFOBLHU-QWHCGFSZSA-N 1 2 347.419 0.082 20 30 ECEDLO CC#CCN1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCc3c[nH+]cn3C1)O2 ZINC001053619907 766451995 /nfs/dbraw/zinc/45/19/95/766451995.db2.gz ZHDLEQGLDUIWBJ-DOTOQJQBSA-N 1 2 342.443 0.818 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccnc3n[nH]nc31)O2 ZINC001053631520 766479269 /nfs/dbraw/zinc/47/92/69/766479269.db2.gz ZKPVNXDTMAYQQM-LLVKDONJSA-N 1 2 328.376 0.502 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCc3nncn3CC1)O2 ZINC001053632224 766480623 /nfs/dbraw/zinc/48/06/23/766480623.db2.gz VKICNFJKLGUHSG-HUUCEWRRSA-N 1 2 345.447 0.766 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)O2 ZINC001053637654 766492489 /nfs/dbraw/zinc/49/24/89/766492489.db2.gz BGDVFCYHLAZLSI-YHUYYLMFSA-N 1 2 336.432 0.574 20 30 ECEDLO Cn1cnnc1C[NH+]1CCC2(C[C@@H]2NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001016582217 766534398 /nfs/dbraw/zinc/53/43/98/766534398.db2.gz SJQDVNXSAMZOEH-AWEZNQCLSA-N 1 2 339.403 0.799 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(C(=O)NC)nc1)O2 ZINC001053686272 766587044 /nfs/dbraw/zinc/58/70/44/766587044.db2.gz LLRDJZLTXPZDBC-AWEZNQCLSA-N 1 2 344.415 0.590 20 30 ECEDLO Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)C[C@H](C)n2cc[nH+]c2)n1 ZINC001106131725 766590065 /nfs/dbraw/zinc/59/00/65/766590065.db2.gz ITLZTYUDBUSJCS-DZGCQCFKSA-N 1 2 342.403 0.999 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCN(C(C)=O)C1)O2 ZINC001053689936 766595648 /nfs/dbraw/zinc/59/56/48/766595648.db2.gz FWFZWDDSEVXNOK-HOTGVXAUSA-N 1 2 335.448 0.781 20 30 ECEDLO Cc1nnc(C[N@H+]2CC[C@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)o1 ZINC001046011556 766635402 /nfs/dbraw/zinc/63/54/02/766635402.db2.gz DWXVVVHQZOMWDT-OCCSQVGLSA-N 1 2 332.408 0.256 20 30 ECEDLO Cc1nnc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)o1 ZINC001046011556 766635405 /nfs/dbraw/zinc/63/54/05/766635405.db2.gz DWXVVVHQZOMWDT-OCCSQVGLSA-N 1 2 332.408 0.256 20 30 ECEDLO Cc1nnc(C[N@H+]2CC[C@@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)s1 ZINC001046013365 766642285 /nfs/dbraw/zinc/64/22/85/766642285.db2.gz XJVUWBFIDKEXOP-GXTWGEPZSA-N 1 2 348.476 0.725 20 30 ECEDLO Cc1nnc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)s1 ZINC001046013365 766642295 /nfs/dbraw/zinc/64/22/95/766642295.db2.gz XJVUWBFIDKEXOP-GXTWGEPZSA-N 1 2 348.476 0.725 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3ccc4cc[nH]c4n3)CC2)C1 ZINC001046036883 766729342 /nfs/dbraw/zinc/72/93/42/766729342.db2.gz IJYCPQXYKLAOFB-OAHLLOKOSA-N 1 2 338.415 0.919 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@H]3CCn4cncc4C3)CC2)C1 ZINC001046038651 766739620 /nfs/dbraw/zinc/73/96/20/766739620.db2.gz HFFUAOTYQBDMCU-HOTGVXAUSA-N 1 2 342.447 0.188 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ns2)C[C@H]1OC ZINC001212265062 766767658 /nfs/dbraw/zinc/76/76/58/766767658.db2.gz YLXPUXOWBFPTJE-NWANDNLSSA-N 1 2 337.445 0.805 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(C)ns2)C[C@H]1OC ZINC001212265062 766767663 /nfs/dbraw/zinc/76/76/63/766767663.db2.gz YLXPUXOWBFPTJE-NWANDNLSSA-N 1 2 337.445 0.805 20 30 ECEDLO CCc1cc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)cc(=O)[nH]1 ZINC001046044954 766769151 /nfs/dbraw/zinc/76/91/51/766769151.db2.gz UDGLNJXMGXNFLZ-INIZCTEOSA-N 1 2 343.431 0.705 20 30 ECEDLO Cn1nc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)cc1Cl ZINC001046045363 766770638 /nfs/dbraw/zinc/77/06/38/766770638.db2.gz XBCAAKHUOMTFTP-GFCCVEGCSA-N 1 2 336.827 0.429 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@H]3CCCc4nc[nH]c43)CC2)C1 ZINC001046061323 766830107 /nfs/dbraw/zinc/83/01/07/766830107.db2.gz LVIIOPJTRAFOFW-GJZGRUSLSA-N 1 2 342.447 0.572 20 30 ECEDLO N#CCN1CCC2(C[C@H]2NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001016748250 766839437 /nfs/dbraw/zinc/83/94/37/766839437.db2.gz JJTGFVVWRDUEJU-IAGOWNOFSA-N 1 2 346.475 0.982 20 30 ECEDLO N#CCN1CCC2(C[C@H]2NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001016748250 766839444 /nfs/dbraw/zinc/83/94/44/766839444.db2.gz JJTGFVVWRDUEJU-IAGOWNOFSA-N 1 2 346.475 0.982 20 30 ECEDLO COc1cc(=O)[nH]cc1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046064607 766845100 /nfs/dbraw/zinc/84/51/00/766845100.db2.gz PNIDMFIEOHFVKT-ZDUSSCGKSA-N 1 2 345.403 0.151 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3ccc4cccnn43)CC2)C1 ZINC001046068634 766864260 /nfs/dbraw/zinc/86/42/60/766864260.db2.gz PLBJDJKDUZVMBW-MRXNPFEDSA-N 1 2 338.415 0.690 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3ccnc(C4CC4)n3)CC2)C1 ZINC001046069429 766867982 /nfs/dbraw/zinc/86/79/82/766867982.db2.gz FXZKMIDJVGULMS-OAHLLOKOSA-N 1 2 340.431 0.710 20 30 ECEDLO COc1cccc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)n1 ZINC001046074719 766892431 /nfs/dbraw/zinc/89/24/31/766892431.db2.gz FLWMOAZQWBNJIQ-CQSZACIVSA-N 1 2 329.404 0.446 20 30 ECEDLO C#CCN1CC2(C1)C[C@H](NC(=O)c1cc([C@H]3CCC[N@H+]3C)n[nH]1)CO2 ZINC001053805207 766894816 /nfs/dbraw/zinc/89/48/16/766894816.db2.gz MSVPOVIFCAQMRH-XJKSGUPXSA-N 1 2 343.431 0.383 20 30 ECEDLO C#CCN1CC2(C1)C[C@H](NC(=O)c1cc([C@H]3CCC[N@@H+]3C)n[nH]1)CO2 ZINC001053805207 766894827 /nfs/dbraw/zinc/89/48/27/766894827.db2.gz MSVPOVIFCAQMRH-XJKSGUPXSA-N 1 2 343.431 0.383 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cnn4c3CCCC4)CC2)C1 ZINC001046078953 766911536 /nfs/dbraw/zinc/91/15/36/766911536.db2.gz OAIFWBQFZJIDPS-OAHLLOKOSA-N 1 2 342.447 0.575 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)C[C@H]3CCCCC(=O)N3)CC2)C1 ZINC001046081625 766919450 /nfs/dbraw/zinc/91/94/50/766919450.db2.gz NDYDSWAKVQNKPF-CVEARBPZSA-N 1 2 347.463 0.177 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)C1 ZINC001046082335 766921723 /nfs/dbraw/zinc/92/17/23/766921723.db2.gz QQTUUJANWCEECD-CQSZACIVSA-N 1 2 339.403 0.314 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC(=O)N(C(C)C)C1)CO2 ZINC001053818486 766925444 /nfs/dbraw/zinc/92/54/44/766925444.db2.gz LERGTNBPDIXEBK-LSDHHAIUSA-N 1 2 335.448 0.779 20 30 ECEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cc2n(n1)CCO2 ZINC001031734051 766933174 /nfs/dbraw/zinc/93/31/74/766933174.db2.gz AINHENGDACAQAX-UHFFFAOYSA-N 1 2 336.395 0.989 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn(C(C)(C)C)nn1)CO2 ZINC001053825565 766948869 /nfs/dbraw/zinc/94/88/69/766948869.db2.gz UIVIRFKSBYLZBI-CYBMUJFWSA-N 1 2 331.420 0.630 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3c(C)noc3C)C[C@@H]2O)c1 ZINC001083765162 766995012 /nfs/dbraw/zinc/99/50/12/766995012.db2.gz QNVSCSKBSWOMQP-SJORKVTESA-N 1 2 340.383 0.643 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3c(C)noc3C)C[C@@H]2O)c1 ZINC001083765162 766995017 /nfs/dbraw/zinc/99/50/17/766995017.db2.gz QNVSCSKBSWOMQP-SJORKVTESA-N 1 2 340.383 0.643 20 30 ECEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CCCNC3=O)C2)ccc1F ZINC001031743938 767008842 /nfs/dbraw/zinc/00/88/42/767008842.db2.gz BRJMJXDUKYOHLT-HNNXBMFYSA-N 1 2 344.390 0.772 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCn3cc(C)nc3C1)CO2 ZINC001053848319 767009495 /nfs/dbraw/zinc/00/94/95/767009495.db2.gz XTMRJDDFKMDNIP-HOTGVXAUSA-N 1 2 342.443 0.737 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](Cc1cnn(C)n1)CC2 ZINC001016837413 767023057 /nfs/dbraw/zinc/02/30/57/767023057.db2.gz QYVMIEYRVIVFAH-OWCLPIDISA-N 1 2 345.447 0.877 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3cncn3C1)CO2 ZINC001053852486 767023865 /nfs/dbraw/zinc/02/38/65/767023865.db2.gz LZRSRDCAHZTVLH-LSDHHAIUSA-N 1 2 328.416 0.428 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccnc3n[nH]nc31)CO2 ZINC001053867685 767077716 /nfs/dbraw/zinc/07/77/16/767077716.db2.gz PYZLRZVKWQBXID-LLVKDONJSA-N 1 2 328.376 0.502 20 30 ECEDLO C=C(Br)CN1CC[C@](C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001046217962 767082670 /nfs/dbraw/zinc/08/26/70/767082670.db2.gz IQUSQQYEGDBNPC-JSGCOSHPSA-N 1 2 346.269 0.806 20 30 ECEDLO C=C(Br)CN1CC[C@](C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001046217962 767082676 /nfs/dbraw/zinc/08/26/76/767082676.db2.gz IQUSQQYEGDBNPC-JSGCOSHPSA-N 1 2 346.269 0.806 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1ncc3cccnc31)CO2 ZINC001053873539 767098919 /nfs/dbraw/zinc/09/89/19/767098919.db2.gz BGRWWWRBTXEXMT-OAHLLOKOSA-N 1 2 339.399 0.414 20 30 ECEDLO Cn1ncc(C[N@@H+]2CC[C@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]32)n1 ZINC001042018392 782608387 /nfs/dbraw/zinc/60/83/87/782608387.db2.gz IWHIWAOQPBCTRG-LRDDRELGSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1ncc(C[N@H+]2CC[C@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]32)n1 ZINC001042018392 782608395 /nfs/dbraw/zinc/60/83/95/782608395.db2.gz IWHIWAOQPBCTRG-LRDDRELGSA-N 1 2 339.403 0.751 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccnc3[nH]c(C)nc31)CO2 ZINC001053876634 767115286 /nfs/dbraw/zinc/11/52/86/767115286.db2.gz HZZWGCMQZVBTEB-ZDUSSCGKSA-N 1 2 339.399 0.863 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)CO2 ZINC001053879838 767131161 /nfs/dbraw/zinc/13/11/61/767131161.db2.gz ATHIRPRZICUWCT-YHUYYLMFSA-N 1 2 334.416 0.021 20 30 ECEDLO C=CCOc1ccccc1C(=O)NCC1C[NH+]([C@H]2CCNC2=O)C1 ZINC001031778554 767192111 /nfs/dbraw/zinc/19/21/11/767192111.db2.gz OLNAAQBPNDQQHR-HNNXBMFYSA-N 1 2 329.400 0.802 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1c(C)c(C)n[nH]c1=O)CO2 ZINC001053888329 767220412 /nfs/dbraw/zinc/22/04/12/767220412.db2.gz GNLAULXNTFZGPS-ZDUSSCGKSA-N 1 2 330.388 0.395 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCNC2=O)C1 ZINC001046537384 767287685 /nfs/dbraw/zinc/28/76/85/767287685.db2.gz NYBASWPZRIKBCC-ZWNOBZJWSA-N 1 2 330.226 0.612 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCNC2=O)C1 ZINC001046537384 767287687 /nfs/dbraw/zinc/28/76/87/767287687.db2.gz NYBASWPZRIKBCC-ZWNOBZJWSA-N 1 2 330.226 0.612 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001046543924 767294906 /nfs/dbraw/zinc/29/49/06/767294906.db2.gz RWLTYZYJCGPFAG-GXFFZTMASA-N 1 2 345.241 0.499 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001046543924 767294907 /nfs/dbraw/zinc/29/49/07/767294907.db2.gz RWLTYZYJCGPFAG-GXFFZTMASA-N 1 2 345.241 0.499 20 30 ECEDLO C#CCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)CO2 ZINC001053904571 767313144 /nfs/dbraw/zinc/31/31/44/767313144.db2.gz PYUABCYDSOEWOR-WBVHZDCISA-N 1 2 347.459 0.223 20 30 ECEDLO C#CCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)CO2 ZINC001053904571 767313156 /nfs/dbraw/zinc/31/31/56/767313156.db2.gz PYUABCYDSOEWOR-WBVHZDCISA-N 1 2 347.459 0.223 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccnc3c1nnn3C)CO2 ZINC001053908491 767329314 /nfs/dbraw/zinc/32/93/14/767329314.db2.gz UTTNIANGIRYAEX-GFCCVEGCSA-N 1 2 342.403 0.513 20 30 ECEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1OC ZINC001212344948 767354338 /nfs/dbraw/zinc/35/43/38/767354338.db2.gz TYUQOGASIKVDKZ-YNEHKIRRSA-N 1 2 340.424 0.002 20 30 ECEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]1OC ZINC001212344948 767354343 /nfs/dbraw/zinc/35/43/43/767354343.db2.gz TYUQOGASIKVDKZ-YNEHKIRRSA-N 1 2 340.424 0.002 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2COC3(C[NH+]([C@H](C)COC)C3)C2)nn1 ZINC001053949635 767433158 /nfs/dbraw/zinc/43/31/58/767433158.db2.gz MEEDBHCHYDMPEY-OLZOCXBDSA-N 1 2 335.408 0.072 20 30 ECEDLO C#CCOCCC(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060462523 767434377 /nfs/dbraw/zinc/43/43/77/767434377.db2.gz FDNREYSDNGONQB-CQSZACIVSA-N 1 2 332.404 0.347 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1COC2(C[NH+](CCOC)C2)C1 ZINC001053951701 767437132 /nfs/dbraw/zinc/43/71/32/767437132.db2.gz CWCLHPMQAZKJKW-JYJNAYRXSA-N 1 2 338.448 0.964 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(=O)n(CC)n1)CO2 ZINC001053959686 767455694 /nfs/dbraw/zinc/45/56/94/767455694.db2.gz FMXSOYKFPYAAEY-ZDUSSCGKSA-N 1 2 332.404 0.412 20 30 ECEDLO N#Cc1cc(C(=O)NCC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)c[nH]1 ZINC001060462916 767463389 /nfs/dbraw/zinc/46/33/89/767463389.db2.gz NGUMMBOXSOVLGT-GFCCVEGCSA-N 1 2 340.387 0.821 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCN(C(=O)CC)C1)CO2 ZINC001053975306 767504295 /nfs/dbraw/zinc/50/42/95/767504295.db2.gz FIICFMVQHZQURQ-LSDHHAIUSA-N 1 2 335.448 0.781 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCCN1C(N)=O)CO2 ZINC001053980170 767519518 /nfs/dbraw/zinc/51/95/18/767519518.db2.gz IQQMHDJJLDJAFC-KGLIPLIRSA-N 1 2 336.436 0.455 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(N(C)C)nn1)CO2 ZINC001053984923 767533556 /nfs/dbraw/zinc/53/35/56/767533556.db2.gz GMUDDCYVKSEHCA-ZDUSSCGKSA-N 1 2 329.404 0.139 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1c(C)n(C)nc1Cl)CO2 ZINC001053994858 767551237 /nfs/dbraw/zinc/55/12/37/767551237.db2.gz NXGJHOVUPBXTHL-LBPRGKRZSA-N 1 2 336.823 0.978 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc(NC(N)=O)c1)CO2 ZINC001054003608 767569825 /nfs/dbraw/zinc/56/98/25/767569825.db2.gz XIFFGDVQLWIVJQ-OAHLLOKOSA-N 1 2 342.399 0.774 20 30 ECEDLO N#CCN1CC2(C1)C[C@@H](NC(=O)C[N@@H+]1CCc3sccc3C1)CO2 ZINC001054016158 767606305 /nfs/dbraw/zinc/60/63/05/767606305.db2.gz WGWCGHHKEPOUGV-CQSZACIVSA-N 1 2 346.456 0.589 20 30 ECEDLO N#CCN1CC2(C1)C[C@@H](NC(=O)C[N@H+]1CCc3sccc3C1)CO2 ZINC001054016158 767606309 /nfs/dbraw/zinc/60/63/09/767606309.db2.gz WGWCGHHKEPOUGV-CQSZACIVSA-N 1 2 346.456 0.589 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(N(C)C)cn1)CO2 ZINC001054019073 767611583 /nfs/dbraw/zinc/61/15/83/767611583.db2.gz MYDIKPHBRLGEJT-CQSZACIVSA-N 1 2 328.416 0.744 20 30 ECEDLO Cn1[nH]c(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)C#CC2CC2)C3)nc1=O ZINC001054130711 767726111 /nfs/dbraw/zinc/72/61/11/767726111.db2.gz WYPQKALHZCYGDI-SFHVURJKSA-N 1 2 343.431 0.336 20 30 ECEDLO Cn1[nH]c(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)C#CC2CC2)C3)nc1=O ZINC001054130711 767726114 /nfs/dbraw/zinc/72/61/14/767726114.db2.gz WYPQKALHZCYGDI-SFHVURJKSA-N 1 2 343.431 0.336 20 30 ECEDLO Cc1cc(C)c(C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)c(C)[nH+]1 ZINC001106182681 767739015 /nfs/dbraw/zinc/73/90/15/767739015.db2.gz CJXODCWROVFSMC-AWEZNQCLSA-N 1 2 340.387 0.871 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2CCOCC2)C1=O ZINC001017292698 767812363 /nfs/dbraw/zinc/81/23/63/767812363.db2.gz SFVVMZSFHUFYRS-IXDOHACOSA-N 1 2 347.459 0.875 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2CCOCC2)C1=O ZINC001017292698 767812371 /nfs/dbraw/zinc/81/23/71/767812371.db2.gz SFVVMZSFHUFYRS-IXDOHACOSA-N 1 2 347.459 0.875 20 30 ECEDLO C=CCCn1cc(C(=O)NC2C[NH+](C[C@H]3CCc4ncnn43)C2)nn1 ZINC001031079764 767834246 /nfs/dbraw/zinc/83/42/46/767834246.db2.gz KOGZVDIDDVVGCG-CYBMUJFWSA-N 1 2 342.407 0.047 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001017938267 768526791 /nfs/dbraw/zinc/52/67/91/768526791.db2.gz ATKKXKUMJNLYHE-XUWVNRHRSA-N 1 2 333.432 0.321 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001017938267 768526794 /nfs/dbraw/zinc/52/67/94/768526794.db2.gz ATKKXKUMJNLYHE-XUWVNRHRSA-N 1 2 333.432 0.321 20 30 ECEDLO C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001018075912 768690268 /nfs/dbraw/zinc/69/02/68/768690268.db2.gz SRRRBIDSSHTYFZ-BETUJISGSA-N 1 2 342.403 0.323 20 30 ECEDLO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001018075912 768690272 /nfs/dbraw/zinc/69/02/72/768690272.db2.gz SRRRBIDSSHTYFZ-BETUJISGSA-N 1 2 342.403 0.323 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1nc2n(c1=O)CCCC2 ZINC001018150939 768805639 /nfs/dbraw/zinc/80/56/39/768805639.db2.gz XPBPTIIWWUMHNQ-GASCZTMLSA-N 1 2 343.431 0.080 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1nc2n(c1=O)CCCC2 ZINC001018150939 768805646 /nfs/dbraw/zinc/80/56/46/768805646.db2.gz XPBPTIIWWUMHNQ-GASCZTMLSA-N 1 2 343.431 0.080 20 30 ECEDLO CC(C)(C)C(=O)C(=O)NCC[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055545356 769080473 /nfs/dbraw/zinc/08/04/73/769080473.db2.gz GZCJSWGZKUQHAR-UHFFFAOYSA-N 1 2 347.459 0.712 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c2CC)[C@H](OC)C1 ZINC001212214691 769124667 /nfs/dbraw/zinc/12/46/67/769124667.db2.gz USANIXDUXSKBIJ-APHBMKBZSA-N 1 2 348.447 0.697 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cc[nH]c2CC)[C@H](OC)C1 ZINC001212214691 769124668 /nfs/dbraw/zinc/12/46/68/769124668.db2.gz USANIXDUXSKBIJ-APHBMKBZSA-N 1 2 348.447 0.697 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)Cc3ncc[nH]3)C2)CC1 ZINC001018375742 769243727 /nfs/dbraw/zinc/24/37/27/769243727.db2.gz MSRYOVCOIYJXMQ-HNNXBMFYSA-N 1 2 345.447 0.521 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)c2ncn[nH]2)CC1 ZINC001055614673 769261288 /nfs/dbraw/zinc/26/12/88/769261288.db2.gz GSQWFFAPZBXVPV-QWHCGFSZSA-N 1 2 348.451 0.573 20 30 ECEDLO CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000993568172 769330641 /nfs/dbraw/zinc/33/06/41/769330641.db2.gz OMTWELQMDDYKCR-ZIAGYGMSSA-N 1 2 326.360 0.364 20 30 ECEDLO 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ECEDLO N#Cc1cncc(N2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)n1 ZINC001055940844 770301534 /nfs/dbraw/zinc/30/15/34/770301534.db2.gz TZAUOSYGGVGYFD-ZDUSSCGKSA-N 1 2 337.387 0.456 20 30 ECEDLO N#Cc1cncc(N2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)n1 ZINC001055941996 770303658 /nfs/dbraw/zinc/30/36/58/770303658.db2.gz MERNSVUUIQLLQK-CYBMUJFWSA-N 1 2 337.387 0.456 20 30 ECEDLO C#Cc1ccccc1CC(=O)NC1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001031313375 770431316 /nfs/dbraw/zinc/43/13/16/770431316.db2.gz KTPCGDSZCWDUOA-GOSISDBHSA-N 1 2 338.411 0.268 20 30 ECEDLO O=C(CCc1c[nH]c[nH+]1)N[C@@]1(CO)CCCN(C(=O)C#CC2CC2)C1 ZINC001055986691 770456968 /nfs/dbraw/zinc/45/69/68/770456968.db2.gz IQKLGGZTMJRQJN-SFHVURJKSA-N 1 2 344.415 0.225 20 30 ECEDLO O=C(CCc1c[nH+]c[nH]1)N[C@@]1(CO)CCCN(C(=O)C#CC2CC2)C1 ZINC001055986691 770456973 /nfs/dbraw/zinc/45/69/73/770456973.db2.gz IQKLGGZTMJRQJN-SFHVURJKSA-N 1 2 344.415 0.225 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(OC)no2)C1 ZINC001018985826 770483196 /nfs/dbraw/zinc/48/31/96/770483196.db2.gz HNTDPJRNPPLBKG-ZFWWWQNUSA-N 1 2 332.404 0.471 20 30 ECEDLO CCc1nc(C#N)cc(N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)n1 ZINC001056035694 770634137 /nfs/dbraw/zinc/63/41/37/770634137.db2.gz VLXZYEUEMHWZCP-UHFFFAOYSA-N 1 2 325.376 0.525 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC001019135588 770894544 /nfs/dbraw/zinc/89/45/44/770894544.db2.gz BHDKAGPREOTBRF-KBPBESRZSA-N 1 2 341.415 0.666 20 30 ECEDLO CC#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001056159030 770957883 /nfs/dbraw/zinc/95/78/83/770957883.db2.gz DFRYYXMJVVEYHX-GOSISDBHSA-N 1 2 346.431 0.616 20 30 ECEDLO CC(C)C#CC(=O)N1CCC[C@](CO)(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001056165802 770973538 /nfs/dbraw/zinc/97/35/38/770973538.db2.gz WPJARVBXLVKQRW-KRWDZBQOSA-N 1 2 332.404 0.081 20 30 ECEDLO C#CCCCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001056329019 771133985 /nfs/dbraw/zinc/13/39/85/771133985.db2.gz RDEPHHGUEUIAEC-BBWFWOEESA-N 1 2 347.459 0.712 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C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001019362685 771204875 /nfs/dbraw/zinc/20/48/75/771204875.db2.gz BWLFUAOECPNDNT-CYBMUJFWSA-N 1 2 329.404 0.573 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001056455287 771285789 /nfs/dbraw/zinc/28/57/89/771285789.db2.gz BJWWXGFVAFLYON-HZPDHXFCSA-N 1 2 344.415 0.515 20 30 ECEDLO N#Cc1cc(C(=O)N2CC(NC(=O)[C@H]3CCc4[nH+]ccn4C3)C2)c[nH]1 ZINC000994604140 771291704 /nfs/dbraw/zinc/29/17/04/771291704.db2.gz DREQHNREKFUORH-NSHDSACASA-N 1 2 338.371 0.286 20 30 ECEDLO N#Cc1nccnc1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001056463904 771299820 /nfs/dbraw/zinc/29/98/20/771299820.db2.gz NELITPWXZJKICD-CYRTVHNOSA-N 1 2 335.371 0.426 20 30 ECEDLO N#Cc1nccnc1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001056463904 771299824 /nfs/dbraw/zinc/29/98/24/771299824.db2.gz NELITPWXZJKICD-CYRTVHNOSA-N 1 2 335.371 0.426 20 30 ECEDLO 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/nfs/dbraw/zinc/65/45/14/771654514.db2.gz PXDZRMVAHZFLEI-DGCLKSJQSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)C1 ZINC001056796425 771654518 /nfs/dbraw/zinc/65/45/18/771654518.db2.gz PXDZRMVAHZFLEI-DGCLKSJQSA-N 1 2 325.376 0.963 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nc(=O)n(C)[nH]4)[C@@H]3C2)C1 ZINC001042228493 782960780 /nfs/dbraw/zinc/96/07/80/782960780.db2.gz UUULRPNMKNFDNP-ZIAGYGMSSA-N 1 2 345.447 0.888 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](Cc4nc(=O)n(C)[nH]4)[C@@H]3C2)C1 ZINC001042228493 782960783 /nfs/dbraw/zinc/96/07/83/782960783.db2.gz UUULRPNMKNFDNP-ZIAGYGMSSA-N 1 2 345.447 0.888 20 30 ECEDLO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001057711745 772936360 /nfs/dbraw/zinc/93/63/60/772936360.db2.gz SXZHNORGJGFYIE-ZDUSSCGKSA-N 1 2 336.436 0.738 20 30 ECEDLO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001057711745 772936362 /nfs/dbraw/zinc/93/63/62/772936362.db2.gz 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N#Cc1cncc(N2CC[C@@H](NC(=O)[C@H]3CCc4c[nH+]cn4C3)C2)n1 ZINC001058481670 774273663 /nfs/dbraw/zinc/27/36/63/774273663.db2.gz XFNYOYUIAUGXET-QWHCGFSZSA-N 1 2 337.387 0.502 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(C1)CC[NH+]([C@H](C)c1nnnn1C)CC2 ZINC001040643260 783165785 /nfs/dbraw/zinc/16/57/85/783165785.db2.gz HCGZVMHKDUNJIA-CHWSQXEVSA-N 1 2 331.424 0.745 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 ZINC001039831399 783171997 /nfs/dbraw/zinc/17/19/97/783171997.db2.gz UJJBSRLXKWMPKC-SCLBCKFNSA-N 1 2 344.415 0.081 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1 ZINC001039831399 783172003 /nfs/dbraw/zinc/17/20/03/783172003.db2.gz UJJBSRLXKWMPKC-SCLBCKFNSA-N 1 2 344.415 0.081 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@](O)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001039831673 783174205 /nfs/dbraw/zinc/17/42/05/783174205.db2.gz ZIGIIGKKUJXWSZ-ACJLOTCBSA-N 1 2 348.447 0.880 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@](O)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001039831673 783174210 /nfs/dbraw/zinc/17/42/10/783174210.db2.gz ZIGIIGKKUJXWSZ-ACJLOTCBSA-N 1 2 348.447 0.880 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001044980353 774795071 /nfs/dbraw/zinc/79/50/71/774795071.db2.gz LZCBZYQJLCITMY-QWHCGFSZSA-N 1 2 348.447 0.835 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001045059227 774911942 /nfs/dbraw/zinc/91/19/42/774911942.db2.gz OLUFPVXHPIYMDM-ZDUSSCGKSA-N 1 2 348.447 0.979 20 30 ECEDLO C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001045069609 774929783 /nfs/dbraw/zinc/92/97/83/774929783.db2.gz YAULXKSUTSFMPH-ZIAGYGMSSA-N 1 2 348.447 0.880 20 30 ECEDLO C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001045069609 774929787 /nfs/dbraw/zinc/92/97/87/774929787.db2.gz YAULXKSUTSFMPH-ZIAGYGMSSA-N 1 2 348.447 0.880 20 30 ECEDLO CC(C)C#CC(=O)N1CC(O)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001043859248 775120558 /nfs/dbraw/zinc/12/05/58/775120558.db2.gz SIESHSMDBWHHBF-UHFFFAOYSA-N 1 2 340.383 0.297 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)CCO2 ZINC001068470111 790337343 /nfs/dbraw/zinc/33/73/43/790337343.db2.gz NROLREYQHFSGIS-UONOGXRCSA-N 1 2 346.431 0.850 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2occc2C)[C@@H](n2ccnn2)C1 ZINC001070021094 790350852 /nfs/dbraw/zinc/35/08/52/790350852.db2.gz GQXZOJHHGGSJGE-CABCVRRESA-N 1 2 327.388 0.787 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2occc2C)[C@@H](n2ccnn2)C1 ZINC001070021094 790350861 /nfs/dbraw/zinc/35/08/61/790350861.db2.gz GQXZOJHHGGSJGE-CABCVRRESA-N 1 2 327.388 0.787 20 30 ECEDLO C=CCCC1(C(=O)N2CC(O)(CNC(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001044011548 775509241 /nfs/dbraw/zinc/50/92/41/775509241.db2.gz QSUJPYRYZGSWAM-UHFFFAOYSA-N 1 2 346.431 0.399 20 30 ECEDLO C=CCn1cc(C(=O)N(C)C2C[NH+](Cc3ccn(C)c(=O)c3)C2)nn1 ZINC001044022054 775533524 /nfs/dbraw/zinc/53/35/24/775533524.db2.gz CEJHYYNEWVYWSZ-UHFFFAOYSA-N 1 2 342.403 0.119 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1C[NH+](CCn2cncn2)C1 ZINC001044029604 775548534 /nfs/dbraw/zinc/54/85/34/775548534.db2.gz RBPQAQBTYMZJRM-HOTGVXAUSA-N 1 2 333.436 0.792 20 30 ECEDLO C=CCCC1(C(=O)N2CC(O)(CNC(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001044137207 775768505 /nfs/dbraw/zinc/76/85/05/775768505.db2.gz GTUQRAFZPILTMQ-UHFFFAOYSA-N 1 2 346.431 0.709 20 30 ECEDLO Cc1cc(C)c(C(=O)N2CC(O)(CNC(=O)[C@H](C)C#N)C2)c(C)[nH+]1 ZINC001045546482 775771977 /nfs/dbraw/zinc/77/19/77/775771977.db2.gz MVPNUCIORGQQTG-LLVKDONJSA-N 1 2 330.388 0.470 20 30 ECEDLO C=CCCC(=O)NC1(CNC(=O)Cc2c[nH+]cn2C)CCOCC1 ZINC001070031941 790394346 /nfs/dbraw/zinc/39/43/46/790394346.db2.gz BKRDYXFBZSQVGB-UHFFFAOYSA-N 1 2 334.420 0.710 20 30 ECEDLO C#Cc1ccc(C(=O)NC2(C)CC[NH+](CCS(C)(=O)=O)CC2)cn1 ZINC001045623385 775911568 /nfs/dbraw/zinc/91/15/68/775911568.db2.gz OVMIEQAYTPUNDS-UHFFFAOYSA-N 1 2 349.456 0.692 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnnc3ccccc32)[C@@H](n2ccnn2)C1 ZINC001070039639 790418507 /nfs/dbraw/zinc/41/85/07/790418507.db2.gz OMBRZNFVBVZWKP-SJORKVTESA-N 1 2 347.382 0.510 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnnc3ccccc32)[C@@H](n2ccnn2)C1 ZINC001070039639 790418516 /nfs/dbraw/zinc/41/85/16/790418516.db2.gz OMBRZNFVBVZWKP-SJORKVTESA-N 1 2 347.382 0.510 20 30 ECEDLO C#CCCCCCC(=O)NCC1(O)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001044484856 776347042 /nfs/dbraw/zinc/34/70/42/776347042.db2.gz RMMJCUNRVZVVPJ-UHFFFAOYSA-N 1 2 332.404 0.225 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001079628533 776551294 /nfs/dbraw/zinc/55/12/94/776551294.db2.gz GWPACZPHHQLSMC-NOZJJQNGSA-N 1 2 344.253 0.810 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001079628533 776551302 /nfs/dbraw/zinc/55/13/02/776551302.db2.gz GWPACZPHHQLSMC-NOZJJQNGSA-N 1 2 344.253 0.810 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001044714295 776684784 /nfs/dbraw/zinc/68/47/84/776684784.db2.gz HAPFXPPRZUCYPT-AWEZNQCLSA-N 1 2 348.447 0.645 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001044714894 776687170 /nfs/dbraw/zinc/68/71/70/776687170.db2.gz PVOWRDUISLKFFL-UHFFFAOYSA-N 1 2 348.447 0.645 20 30 ECEDLO C=CCCOCC(=O)N1CC(N(CC)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001079696396 776710184 /nfs/dbraw/zinc/71/01/84/776710184.db2.gz OVDZXSWYRHCRSD-UHFFFAOYSA-N 1 2 334.420 0.994 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070068291 790497261 /nfs/dbraw/zinc/49/72/61/790497261.db2.gz ROCYRTKJIPOKKL-KGLIPLIRSA-N 1 2 325.376 0.167 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070068291 790497269 /nfs/dbraw/zinc/49/72/69/790497269.db2.gz ROCYRTKJIPOKKL-KGLIPLIRSA-N 1 2 325.376 0.167 20 30 ECEDLO CCN(C(=O)CCc1c[nH]c[nH+]1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001079963025 777157423 /nfs/dbraw/zinc/15/74/23/777157423.db2.gz LSHBLXATEJVGGE-UHFFFAOYSA-N 1 2 340.387 0.915 20 30 ECEDLO CCN(C(=O)CCc1c[nH+]c[nH]1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001079963025 777157424 /nfs/dbraw/zinc/15/74/24/777157424.db2.gz LSHBLXATEJVGGE-UHFFFAOYSA-N 1 2 340.387 0.915 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnn(C(C)C)c2)[C@@H](n2ccnn2)C1 ZINC001070075114 790517922 /nfs/dbraw/zinc/51/79/22/790517922.db2.gz RBSVBXVOCQZPEI-CABCVRRESA-N 1 2 327.392 0.344 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(C(C)C)c2)[C@@H](n2ccnn2)C1 ZINC001070075114 790517926 /nfs/dbraw/zinc/51/79/26/790517926.db2.gz RBSVBXVOCQZPEI-CABCVRRESA-N 1 2 327.392 0.344 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)CCn2cc[nH+]c2)C1 ZINC001080167988 777493373 /nfs/dbraw/zinc/49/33/73/777493373.db2.gz KYELXFPAKNHUJM-AWEZNQCLSA-N 1 2 334.420 0.924 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001080478493 777909635 /nfs/dbraw/zinc/90/96/35/777909635.db2.gz ZESBYAMUDGSDKA-KGYLQXTDSA-N 1 2 338.843 0.815 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001080478493 777909641 /nfs/dbraw/zinc/90/96/41/777909641.db2.gz ZESBYAMUDGSDKA-KGYLQXTDSA-N 1 2 338.843 0.815 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001043226440 778007262 /nfs/dbraw/zinc/00/72/62/778007262.db2.gz WKBHTKUBDSZTHE-DYVFJYSZSA-N 1 2 348.447 0.880 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001043226440 778007272 /nfs/dbraw/zinc/00/72/72/778007272.db2.gz WKBHTKUBDSZTHE-DYVFJYSZSA-N 1 2 348.447 0.880 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1Nc1nccnc1C#N ZINC001043580299 778544091 /nfs/dbraw/zinc/54/40/91/778544091.db2.gz RGXNKCAEODCALB-BXUZGUMPSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1Nc1nccnc1C#N ZINC001043580299 778544096 /nfs/dbraw/zinc/54/40/96/778544096.db2.gz RGXNKCAEODCALB-BXUZGUMPSA-N 1 2 325.376 0.963 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C(C)=C2CCC2)C1 ZINC001043649174 778665301 /nfs/dbraw/zinc/66/53/01/778665301.db2.gz MTIIHPLHEUWLKP-INIZCTEOSA-N 1 2 345.443 0.274 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C(C)=C2CCC2)C1 ZINC001043649174 778665304 /nfs/dbraw/zinc/66/53/04/778665304.db2.gz MTIIHPLHEUWLKP-INIZCTEOSA-N 1 2 345.443 0.274 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@H]21 ZINC001042348573 780115776 /nfs/dbraw/zinc/11/57/76/780115776.db2.gz LOEZMOKTAVSPSV-NWDGAFQWSA-N 1 2 349.822 0.864 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@H]21 ZINC001042348573 780115780 /nfs/dbraw/zinc/11/57/80/780115780.db2.gz LOEZMOKTAVSPSV-NWDGAFQWSA-N 1 2 349.822 0.864 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnon2)C1 ZINC001079146207 780814280 /nfs/dbraw/zinc/81/42/80/780814280.db2.gz YWQFFBJNWUPJOI-IAGOWNOFSA-N 1 2 340.383 0.780 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnon2)C1 ZINC001079146207 780814290 /nfs/dbraw/zinc/81/42/90/780814290.db2.gz YWQFFBJNWUPJOI-IAGOWNOFSA-N 1 2 340.383 0.780 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(CC[NH+](Cc3cnon3)CC2)[C@H]2COC[C@H]21 ZINC001079228564 780901093 /nfs/dbraw/zinc/90/10/93/780901093.db2.gz QTHXTAFDMZWFPS-AEGPPILISA-N 1 2 345.403 0.669 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cncs3)C2)C1=O ZINC001079464766 781148139 /nfs/dbraw/zinc/14/81/39/781148139.db2.gz MZUBXKFCYSDDOZ-JHJVBQTASA-N 1 2 334.445 0.980 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cncs3)C2)C1=O ZINC001079464766 781148143 /nfs/dbraw/zinc/14/81/43/781148143.db2.gz MZUBXKFCYSDDOZ-JHJVBQTASA-N 1 2 334.445 0.980 20 30 ECEDLO C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)nc1 ZINC001077631393 781385725 /nfs/dbraw/zinc/38/57/25/781385725.db2.gz CVCXEDCILUFCGJ-LBPRGKRZSA-N 1 2 325.372 0.653 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCO[C@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC001041483065 781606761 /nfs/dbraw/zinc/60/67/61/781606761.db2.gz PNHKYVZLLWIJBR-VXGBXAGGSA-N 1 2 343.391 0.552 20 30 ECEDLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@]2(CCN(CC#N)C2)C1 ZINC001041507284 781657170 /nfs/dbraw/zinc/65/71/70/781657170.db2.gz WAQYCGACHQSLDL-SJLPKXTDSA-N 1 2 334.464 0.935 20 30 ECEDLO CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@]2(CCN(CC#N)C2)C1 ZINC001041507284 781657176 /nfs/dbraw/zinc/65/71/76/781657176.db2.gz WAQYCGACHQSLDL-SJLPKXTDSA-N 1 2 334.464 0.935 20 30 ECEDLO C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001039987566 783360353 /nfs/dbraw/zinc/36/03/53/783360353.db2.gz SUDILJYNOQTMTG-QGZVFWFLSA-N 1 2 334.420 0.697 20 30 ECEDLO C[C@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001040767258 783395262 /nfs/dbraw/zinc/39/52/62/783395262.db2.gz XBAIAAVFOPYDLX-PXAZEXFGSA-N 1 2 341.371 0.187 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NC[C@]1(O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001040814679 783493556 /nfs/dbraw/zinc/49/35/56/783493556.db2.gz ZXVMYIOIRUQSGG-IAGOWNOFSA-N 1 2 334.420 0.565 20 30 ECEDLO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@@H]1n1ccnn1 ZINC001070247898 783736258 /nfs/dbraw/zinc/73/62/58/783736258.db2.gz JQCBDUZMMXRHSA-MNOVXSKESA-N 1 2 336.787 0.112 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)c2ccc(C)n2C)C1=O ZINC001038059583 783805799 /nfs/dbraw/zinc/80/57/99/783805799.db2.gz AOXGNKWGZQXOFQ-GOEBONIOSA-N 1 2 330.432 0.925 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)c2ccc(C)n2C)C1=O ZINC001038059583 783805806 /nfs/dbraw/zinc/80/58/06/783805806.db2.gz AOXGNKWGZQXOFQ-GOEBONIOSA-N 1 2 330.432 0.925 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)c2ccc(F)nc2)C1=O ZINC001038104278 783853939 /nfs/dbraw/zinc/85/39/39/783853939.db2.gz PJFOQKNXTPJACH-KGLIPLIRSA-N 1 2 332.379 0.812 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)c2ccc(F)nc2)C1=O ZINC001038104278 783853945 /nfs/dbraw/zinc/85/39/45/783853945.db2.gz PJFOQKNXTPJACH-KGLIPLIRSA-N 1 2 332.379 0.812 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)c2ccnn2CC)C1=O ZINC001038187362 783968962 /nfs/dbraw/zinc/96/89/62/783968962.db2.gz XNHGMWAKUJPXHS-ZFWWWQNUSA-N 1 2 331.420 0.494 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)c2ccnn2CC)C1=O ZINC001038187362 783968971 /nfs/dbraw/zinc/96/89/71/783968971.db2.gz XNHGMWAKUJPXHS-ZFWWWQNUSA-N 1 2 331.420 0.494 20 30 ECEDLO CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)C1 ZINC001038192227 783976780 /nfs/dbraw/zinc/97/67/80/783976780.db2.gz MVYXOANIANXQBR-ZDUSSCGKSA-N 1 2 332.429 0.789 20 30 ECEDLO CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)C1 ZINC001038192227 783976792 /nfs/dbraw/zinc/97/67/92/783976792.db2.gz MVYXOANIANXQBR-ZDUSSCGKSA-N 1 2 332.429 0.789 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001038222342 784016629 /nfs/dbraw/zinc/01/66/29/784016629.db2.gz PMSMMWUPWCMNHU-KGLIPLIRSA-N 1 2 344.371 0.366 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001038222342 784016631 /nfs/dbraw/zinc/01/66/31/784016631.db2.gz PMSMMWUPWCMNHU-KGLIPLIRSA-N 1 2 344.371 0.366 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)C1CCOCC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070439761 784075648 /nfs/dbraw/zinc/07/56/48/784075648.db2.gz YSUCZGNJQYKKOX-HNNXBMFYSA-N 1 2 343.431 0.401 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@H](C)SC)C[C@H]2c1nnc(C)[nH]1 ZINC001070440233 784076371 /nfs/dbraw/zinc/07/63/71/784076371.db2.gz BSKNRTFCPVLVKX-AAEUAGOBSA-N 1 2 333.461 0.726 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCOC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070442045 784082386 /nfs/dbraw/zinc/08/23/86/784082386.db2.gz CBXCBTOVRPOACK-KBPBESRZSA-N 1 2 329.404 0.011 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2n[nH]nc2C)C1 ZINC001070916769 784110064 /nfs/dbraw/zinc/11/00/64/784110064.db2.gz WQNOGOPSYABQPR-UPJWGTAASA-N 1 2 346.391 0.019 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2n[nH]nc2C)C1 ZINC001070916769 784110066 /nfs/dbraw/zinc/11/00/66/784110066.db2.gz WQNOGOPSYABQPR-UPJWGTAASA-N 1 2 346.391 0.019 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC001070452245 784115665 /nfs/dbraw/zinc/11/56/65/784115665.db2.gz CZTVNDSBTUYDRI-GFCCVEGCSA-N 1 2 335.433 0.625 20 30 ECEDLO C#CC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1c1cn(C)cn1 ZINC001070494936 784189052 /nfs/dbraw/zinc/18/90/52/784189052.db2.gz RHDVYQSKBHLOLP-MVWJERBFSA-N 1 2 332.301 0.838 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2cn(C)nc2C)CC1 ZINC001070948385 784197441 /nfs/dbraw/zinc/19/74/41/784197441.db2.gz KEHGZPSQCZDHFV-UHFFFAOYSA-N 1 2 333.436 0.569 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2cn(C)nc2C)CC1 ZINC001070948385 784197446 /nfs/dbraw/zinc/19/74/46/784197446.db2.gz KEHGZPSQCZDHFV-UHFFFAOYSA-N 1 2 333.436 0.569 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cncc(F)c2)CC1 ZINC001070952824 784209546 /nfs/dbraw/zinc/20/95/46/784209546.db2.gz JZCPPRUJPSVAHH-UHFFFAOYSA-N 1 2 332.379 0.508 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cncc(F)c2)CC1 ZINC001070952824 784209557 /nfs/dbraw/zinc/20/95/57/784209557.db2.gz JZCPPRUJPSVAHH-UHFFFAOYSA-N 1 2 332.379 0.508 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2cnn(C)c2C)CC1 ZINC001070969278 784262473 /nfs/dbraw/zinc/26/24/73/784262473.db2.gz JRABDTAIPRGCHA-UHFFFAOYSA-N 1 2 347.463 0.498 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCc2cnn(C)c2C)CC1 ZINC001070969278 784262480 /nfs/dbraw/zinc/26/24/80/784262480.db2.gz JRABDTAIPRGCHA-UHFFFAOYSA-N 1 2 347.463 0.498 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2cnccc2C)CC1 ZINC001070970499 784269578 /nfs/dbraw/zinc/26/95/78/784269578.db2.gz IIQDGXQDFSWVTE-UHFFFAOYSA-N 1 2 330.432 0.769 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2cnccc2C)CC1 ZINC001070970499 784269585 /nfs/dbraw/zinc/26/95/85/784269585.db2.gz IIQDGXQDFSWVTE-UHFFFAOYSA-N 1 2 330.432 0.769 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC(=O)NCCN(Cc2c[nH+]cn2C)CC1 ZINC001070985712 784326221 /nfs/dbraw/zinc/32/62/21/784326221.db2.gz TVKMRGTVBMVQKM-UHFFFAOYSA-N 1 2 347.463 0.783 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CCC(=O)NCC[N@@H+](CCOC)CC1 ZINC001070994909 784351341 /nfs/dbraw/zinc/35/13/41/784351341.db2.gz JHMSJUSDAUAGFA-QGZVFWFLSA-N 1 2 325.453 0.886 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CCC(=O)NCC[N@H+](CCOC)CC1 ZINC001070994909 784351352 /nfs/dbraw/zinc/35/13/52/784351352.db2.gz JHMSJUSDAUAGFA-QGZVFWFLSA-N 1 2 325.453 0.886 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC1 ZINC001071002779 784377115 /nfs/dbraw/zinc/37/71/15/784377115.db2.gz DBFBNBAFGSYCGP-JKSUJKDBSA-N 1 2 345.447 0.360 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC1 ZINC001071002779 784377123 /nfs/dbraw/zinc/37/71/23/784377123.db2.gz DBFBNBAFGSYCGP-JKSUJKDBSA-N 1 2 345.447 0.360 20 30 ECEDLO CC#CCN1CCNC(=O)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001071004524 784382062 /nfs/dbraw/zinc/38/20/62/784382062.db2.gz JNFQJBFFSMWOCZ-INIZCTEOSA-N 1 2 345.447 0.508 20 30 ECEDLO C=CCN1CCNC(=O)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001071004973 784384518 /nfs/dbraw/zinc/38/45/18/784384518.db2.gz YVBIDQRPAGPQPP-OAHLLOKOSA-N 1 2 333.436 0.671 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2nc(CC)oc2C)CC1 ZINC001071007312 784392394 /nfs/dbraw/zinc/39/23/94/784392394.db2.gz JUIXXAKLQLHIML-UHFFFAOYSA-N 1 2 346.431 0.833 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2nc(CC)oc2C)CC1 ZINC001071007312 784392401 /nfs/dbraw/zinc/39/24/01/784392401.db2.gz JUIXXAKLQLHIML-UHFFFAOYSA-N 1 2 346.431 0.833 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)c2c(C)n[nH]c2C)CC1 ZINC001071009275 784397839 /nfs/dbraw/zinc/39/78/39/784397839.db2.gz ISLXVNXMRQAFAI-ZDUSSCGKSA-N 1 2 347.463 0.967 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)c2c(C)n[nH]c2C)CC1 ZINC001071009275 784397847 /nfs/dbraw/zinc/39/78/47/784397847.db2.gz ISLXVNXMRQAFAI-ZDUSSCGKSA-N 1 2 347.463 0.967 20 30 ECEDLO CCc1c(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)cnn1C ZINC001070662994 784519459 /nfs/dbraw/zinc/51/94/59/784519459.db2.gz HDBDAAVHQLPMGN-ZIAGYGMSSA-N 1 2 341.419 0.437 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070702283 784568800 /nfs/dbraw/zinc/56/88/00/784568800.db2.gz VGGAVRCQRWGASQ-HWMZRRJGSA-N 1 2 343.431 0.809 20 30 ECEDLO C=CCn1cccc1C(=O)N1C[C@@H](C)O[C@@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001071176437 784666446 /nfs/dbraw/zinc/66/64/46/784666446.db2.gz VONKYISTHOILBX-RDTXWAMCSA-N 1 2 346.431 0.465 20 30 ECEDLO C=CCn1cccc1C(=O)N1C[C@@H](C)O[C@@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001071176437 784666452 /nfs/dbraw/zinc/66/64/52/784666452.db2.gz VONKYISTHOILBX-RDTXWAMCSA-N 1 2 346.431 0.465 20 30 ECEDLO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)ccc1=O)C[C@@H](C)O2 ZINC001071189484 784693975 /nfs/dbraw/zinc/69/39/75/784693975.db2.gz LSLLSCKUMMUAKO-KDOFPFPSSA-N 1 2 329.400 0.324 20 30 ECEDLO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)ccc1=O)C[C@@H](C)O2 ZINC001071189484 784693978 /nfs/dbraw/zinc/69/39/78/784693978.db2.gz LSLLSCKUMMUAKO-KDOFPFPSSA-N 1 2 329.400 0.324 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn(C)n1)C[C@H](C)O2 ZINC001071221624 784772403 /nfs/dbraw/zinc/77/24/03/784772403.db2.gz SQMGVHJLQWFJON-SWLSCSKDSA-N 1 2 339.827 0.873 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn(C)n1)C[C@H](C)O2 ZINC001071221624 784772405 /nfs/dbraw/zinc/77/24/05/784772405.db2.gz SQMGVHJLQWFJON-SWLSCSKDSA-N 1 2 339.827 0.873 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3cnns3)C2)C(=O)C1 ZINC001071255140 784849616 /nfs/dbraw/zinc/84/96/16/784849616.db2.gz GRHZBYQXQUFTDV-ZDUSSCGKSA-N 1 2 347.444 0.310 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3cnns3)C2)C(=O)C1 ZINC001071255140 784849622 /nfs/dbraw/zinc/84/96/22/784849622.db2.gz GRHZBYQXQUFTDV-ZDUSSCGKSA-N 1 2 347.444 0.310 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3cscn3)C2)C(=O)C1 ZINC001071257161 784858940 /nfs/dbraw/zinc/85/89/40/784858940.db2.gz SWFAUNJSGIVVEY-CQSZACIVSA-N 1 2 346.456 0.915 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3cscn3)C2)C(=O)C1 ZINC001071257161 784858947 /nfs/dbraw/zinc/85/89/47/784858947.db2.gz SWFAUNJSGIVVEY-CQSZACIVSA-N 1 2 346.456 0.915 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@]34C[C@H]3COC4)C2)C(=O)C1 ZINC001071265400 784888320 /nfs/dbraw/zinc/88/83/20/784888320.db2.gz HCPFDROJBKEDCP-FCEWJHQRSA-N 1 2 345.443 0.181 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@]34C[C@H]3COC4)C2)C(=O)C1 ZINC001071265400 784888330 /nfs/dbraw/zinc/88/83/30/784888330.db2.gz HCPFDROJBKEDCP-FCEWJHQRSA-N 1 2 345.443 0.181 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3cc(F)c[nH]3)C2)C(=O)C1 ZINC001071267414 784893500 /nfs/dbraw/zinc/89/35/00/784893500.db2.gz ILZJOTRMFCAQQI-HNNXBMFYSA-N 1 2 346.406 0.926 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3cc(F)c[nH]3)C2)C(=O)C1 ZINC001071267414 784893505 /nfs/dbraw/zinc/89/35/05/784893505.db2.gz ILZJOTRMFCAQQI-HNNXBMFYSA-N 1 2 346.406 0.926 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3conc3C)C2)C(=O)C1 ZINC001071272103 784905593 /nfs/dbraw/zinc/90/55/93/784905593.db2.gz GIEBQYOWGRUKRB-OAHLLOKOSA-N 1 2 344.415 0.755 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3conc3C)C2)C(=O)C1 ZINC001071272103 784905594 /nfs/dbraw/zinc/90/55/94/784905594.db2.gz GIEBQYOWGRUKRB-OAHLLOKOSA-N 1 2 344.415 0.755 20 30 ECEDLO C=CCOCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001071877663 785258801 /nfs/dbraw/zinc/25/88/01/785258801.db2.gz GXSLDTBFESATLF-CABCVRRESA-N 1 2 334.420 0.829 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3ccnn3C)C2)nn1 ZINC001071880054 785263137 /nfs/dbraw/zinc/26/31/37/785263137.db2.gz OIXVIBDGUYBXLL-ZIAGYGMSSA-N 1 2 343.435 0.981 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3ccnn3C)C2)nn1 ZINC001071880054 785263146 /nfs/dbraw/zinc/26/31/46/785263146.db2.gz OIXVIBDGUYBXLL-ZIAGYGMSSA-N 1 2 343.435 0.981 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3ccnn3C)C2)nn1 ZINC001071880051 785263406 /nfs/dbraw/zinc/26/34/06/785263406.db2.gz OIXVIBDGUYBXLL-KBPBESRZSA-N 1 2 343.435 0.981 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3ccnn3C)C2)nn1 ZINC001071880051 785263412 /nfs/dbraw/zinc/26/34/12/785263412.db2.gz OIXVIBDGUYBXLL-KBPBESRZSA-N 1 2 343.435 0.981 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CC[C@@H]1C ZINC001071623591 785409694 /nfs/dbraw/zinc/40/96/94/785409694.db2.gz ZTBGQMSZPLTNNT-KBPBESRZSA-N 1 2 342.871 0.482 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CC[C@@H]1C ZINC001071623591 785409696 /nfs/dbraw/zinc/40/96/96/785409696.db2.gz ZTBGQMSZPLTNNT-KBPBESRZSA-N 1 2 342.871 0.482 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001072362149 786082226 /nfs/dbraw/zinc/08/22/26/786082226.db2.gz MFZBZWCUKNTWDY-DZGCQCFKSA-N 1 2 347.415 0.798 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001072372400 786096160 /nfs/dbraw/zinc/09/61/60/786096160.db2.gz IBTIRSAEMNDSEP-LSDHHAIUSA-N 1 2 334.420 0.829 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC001072452071 786204344 /nfs/dbraw/zinc/20/43/44/786204344.db2.gz XSUBQXVREGMFBV-UHFFFAOYSA-N 1 2 341.213 0.116 20 30 ECEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)Cn3cnnn3)C2)C1 ZINC001072452071 786204347 /nfs/dbraw/zinc/20/43/47/786204347.db2.gz XSUBQXVREGMFBV-UHFFFAOYSA-N 1 2 341.213 0.116 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001072512786 786307182 /nfs/dbraw/zinc/30/71/82/786307182.db2.gz JKFTZKPCNAQBII-GDBMZVCRSA-N 1 2 346.431 0.356 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001074263874 786540091 /nfs/dbraw/zinc/54/00/91/786540091.db2.gz QFDJMXDTGBVZCF-WCQYABFASA-N 1 2 335.433 0.562 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3cn(C)nc3C)C[C@@H]21 ZINC001074266884 786546483 /nfs/dbraw/zinc/54/64/83/786546483.db2.gz SQYPVBNCQUWPMJ-DLBZAZTESA-N 1 2 330.432 0.596 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3cn(C)nc3C)C[C@@H]21 ZINC001074266884 786546492 /nfs/dbraw/zinc/54/64/92/786546492.db2.gz SQYPVBNCQUWPMJ-DLBZAZTESA-N 1 2 330.432 0.596 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnc4n3CCC4)C[C@@H]21 ZINC001074268065 786550170 /nfs/dbraw/zinc/55/01/70/786550170.db2.gz CCENGLIYLVTRJU-JKSUJKDBSA-N 1 2 328.416 0.768 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnc4n3CCC4)C[C@@H]21 ZINC001074268065 786550174 /nfs/dbraw/zinc/55/01/74/786550174.db2.gz CCENGLIYLVTRJU-JKSUJKDBSA-N 1 2 328.416 0.768 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnn4c3OCCC4)C[C@@H]21 ZINC001074287477 786600724 /nfs/dbraw/zinc/60/07/24/786600724.db2.gz YHIBMQDDEVOUJG-HOTGVXAUSA-N 1 2 344.415 0.604 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnn4c3OCCC4)C[C@@H]21 ZINC001074287477 786600728 /nfs/dbraw/zinc/60/07/28/786600728.db2.gz YHIBMQDDEVOUJG-HOTGVXAUSA-N 1 2 344.415 0.604 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc4ncnn43)C[C@H]21 ZINC001074289229 786603879 /nfs/dbraw/zinc/60/38/79/786603879.db2.gz PQPOKGBGGGDEFR-HZPDHXFCSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc4ncnn43)C[C@H]21 ZINC001074289229 786603885 /nfs/dbraw/zinc/60/38/85/786603885.db2.gz PQPOKGBGGGDEFR-HZPDHXFCSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnc4nccn4c3)C[C@@H]21 ZINC001074292545 786610563 /nfs/dbraw/zinc/61/05/63/786610563.db2.gz XFKIIAKJKKJUJH-HOTGVXAUSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnc4nccn4c3)C[C@@H]21 ZINC001074292545 786610568 /nfs/dbraw/zinc/61/05/68/786610568.db2.gz XFKIIAKJKKJUJH-HOTGVXAUSA-N 1 2 339.399 0.668 20 30 ECEDLO N#CCN1CCO[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)C[C@H]21 ZINC001074295538 786619312 /nfs/dbraw/zinc/61/93/12/786619312.db2.gz ZLJWVHORFOXPTE-HUUCEWRRSA-N 1 2 325.372 0.773 20 30 ECEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(=O)c(OC)c[nH]3)C[C@H]21 ZINC001074296378 786620413 /nfs/dbraw/zinc/62/04/13/786620413.db2.gz FMZOMXQNNXWNPC-ZBFHGGJFSA-N 1 2 347.415 0.875 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(=O)c(OC)c[nH]3)C[C@H]21 ZINC001074296378 786620416 /nfs/dbraw/zinc/62/04/16/786620416.db2.gz FMZOMXQNNXWNPC-ZBFHGGJFSA-N 1 2 347.415 0.875 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4nnnn4c3)C[C@H]21 ZINC001074297838 786624891 /nfs/dbraw/zinc/62/48/91/786624891.db2.gz VGGCBSRXWKIFKE-HUUCEWRRSA-N 1 2 340.387 0.063 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4nnnn4c3)C[C@H]21 ZINC001074297838 786624894 /nfs/dbraw/zinc/62/48/94/786624894.db2.gz VGGCBSRXWKIFKE-HUUCEWRRSA-N 1 2 340.387 0.063 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2cnn(C)c2N)C1 ZINC001073580813 786675351 /nfs/dbraw/zinc/67/53/51/786675351.db2.gz LSDVEOBYIJDLHD-LLVKDONJSA-N 1 2 327.816 0.576 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2cnn(C)c2N)C1 ZINC001073580813 786675359 /nfs/dbraw/zinc/67/53/59/786675359.db2.gz LSDVEOBYIJDLHD-LLVKDONJSA-N 1 2 327.816 0.576 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3cc(Cl)cn3)C[C@@H]21 ZINC001074348179 786726889 /nfs/dbraw/zinc/72/68/89/786726889.db2.gz IPSHTKYFSCZQLE-LSDHHAIUSA-N 1 2 336.823 0.862 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3cc(Cl)cn3)C[C@@H]21 ZINC001074348179 786726895 /nfs/dbraw/zinc/72/68/95/786726895.db2.gz IPSHTKYFSCZQLE-LSDHHAIUSA-N 1 2 336.823 0.862 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)COc3cccnc3)C[C@@H]21 ZINC001074362534 786757926 /nfs/dbraw/zinc/75/79/26/786757926.db2.gz GTGLBASRLNEDTG-DLBZAZTESA-N 1 2 329.400 0.785 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)COc3cccnc3)C[C@@H]21 ZINC001074362534 786757931 /nfs/dbraw/zinc/75/79/31/786757931.db2.gz GTGLBASRLNEDTG-DLBZAZTESA-N 1 2 329.400 0.785 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(CCC)nn3)C[C@H]21 ZINC001074372070 786784584 /nfs/dbraw/zinc/78/45/84/786784584.db2.gz QWOVPAZSSGWRAE-CVEARBPZSA-N 1 2 331.420 0.627 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(CCC)nn3)C[C@H]21 ZINC001074372070 786784589 /nfs/dbraw/zinc/78/45/89/786784589.db2.gz QWOVPAZSSGWRAE-CVEARBPZSA-N 1 2 331.420 0.627 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3cnccn3)C[C@H]21 ZINC001074373969 786789787 /nfs/dbraw/zinc/78/97/87/786789787.db2.gz BBSNWVKQNFZKTF-IAGOWNOFSA-N 1 2 328.416 0.734 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3cnccn3)C[C@H]21 ZINC001074373969 786789794 /nfs/dbraw/zinc/78/97/94/786789794.db2.gz BBSNWVKQNFZKTF-IAGOWNOFSA-N 1 2 328.416 0.734 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 ZINC001074403155 786867606 /nfs/dbraw/zinc/86/76/06/786867606.db2.gz RCKQQSOBLALRIF-KBPBESRZSA-N 1 2 335.404 0.013 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 ZINC001074403155 786867616 /nfs/dbraw/zinc/86/76/16/786867616.db2.gz RCKQQSOBLALRIF-KBPBESRZSA-N 1 2 335.404 0.013 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCc3cn(C)nn3)C[C@H]21 ZINC001074419309 786926373 /nfs/dbraw/zinc/92/63/73/786926373.db2.gz JUIWSZNZZJLESQ-CVEARBPZSA-N 1 2 333.436 0.626 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCc3cn(C)nn3)C[C@H]21 ZINC001074419309 786926382 /nfs/dbraw/zinc/92/63/82/786926382.db2.gz JUIWSZNZZJLESQ-CVEARBPZSA-N 1 2 333.436 0.626 20 30 ECEDLO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc(=O)c3ccccc3[nH]2)C1 ZINC001073684312 786964785 /nfs/dbraw/zinc/96/47/85/786964785.db2.gz NMCFCPMLZAGUAG-CQSZACIVSA-N 1 2 339.395 0.982 20 30 ECEDLO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(=O)c3ccccc3[nH]2)C1 ZINC001073684312 786964790 /nfs/dbraw/zinc/96/47/90/786964790.db2.gz NMCFCPMLZAGUAG-CQSZACIVSA-N 1 2 339.395 0.982 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001073819715 787262842 /nfs/dbraw/zinc/26/28/42/787262842.db2.gz IENWPXSUXXBQSW-CABCVRRESA-N 1 2 334.420 0.829 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001073960394 787587287 /nfs/dbraw/zinc/58/72/87/787587287.db2.gz NLJYMTVAMVKFAT-ZFWWWQNUSA-N 1 2 346.431 0.654 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001074025628 787713963 /nfs/dbraw/zinc/71/39/63/787713963.db2.gz WBARVQUWHXTJRR-HIFRSBDPSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001074025628 787713968 /nfs/dbraw/zinc/71/39/68/787713968.db2.gz WBARVQUWHXTJRR-HIFRSBDPSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001074149908 787945797 /nfs/dbraw/zinc/94/57/97/787945797.db2.gz PYAVYMFHPXTNKD-ZIAGYGMSSA-N 1 2 334.420 0.898 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)CSCC#N)CCN1C(=O)Cn1cc[nH+]c1 ZINC001074843302 788417845 /nfs/dbraw/zinc/41/78/45/788417845.db2.gz LMAOUYYLMDCTLP-STQMWFEESA-N 1 2 335.433 0.636 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001074991329 788679334 /nfs/dbraw/zinc/67/93/34/788679334.db2.gz SPHQFFPCRRJXBM-KBPBESRZSA-N 1 2 332.404 0.488 20 30 ECEDLO C=CCCOCC(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC001075043211 788788197 /nfs/dbraw/zinc/78/81/97/788788197.db2.gz JZHVYTWRENHWOC-LSDHHAIUSA-N 1 2 334.420 0.972 20 30 ECEDLO C=CCOCCCC(=O)N[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001072799556 788824729 /nfs/dbraw/zinc/82/47/29/788824729.db2.gz XKLZAMVWSCEMJY-ZFWWWQNUSA-N 1 2 334.420 0.898 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001075128139 788945443 /nfs/dbraw/zinc/94/54/43/788945443.db2.gz VLPAQZLKTIPZEC-ZIAGYGMSSA-N 1 2 332.404 0.488 20 30 ECEDLO C#CCOCCC(=O)N1CCC(C)(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001073027409 789300465 /nfs/dbraw/zinc/30/04/65/789300465.db2.gz IRUFJQVULINKTA-UHFFFAOYSA-N 1 2 346.431 0.500 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(=O)n4[nH]ccc4n3)C[C@H]21 ZINC001075620743 789580796 /nfs/dbraw/zinc/58/07/96/789580796.db2.gz BBMGALWDRRTJHD-MBNYWOFBSA-N 1 2 340.387 0.215 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(=O)n4[nH]ccc4n3)C[C@H]21 ZINC001075620743 789580801 /nfs/dbraw/zinc/58/08/01/789580801.db2.gz BBMGALWDRRTJHD-MBNYWOFBSA-N 1 2 340.387 0.215 20 30 ECEDLO C[C@H]1C[C@H](Nc2ccnc(C#N)n2)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001069220958 789673470 /nfs/dbraw/zinc/67/34/70/789673470.db2.gz HFHFCFQLHCSMKP-AAEUAGOBSA-N 1 2 325.376 0.527 20 30 ECEDLO C[C@H]1C[C@H](Nc2ccnc(C#N)n2)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001069220958 789673473 /nfs/dbraw/zinc/67/34/73/789673473.db2.gz HFHFCFQLHCSMKP-AAEUAGOBSA-N 1 2 325.376 0.527 20 30 ECEDLO CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1NC(=O)CSCC#N ZINC001073318088 789729519 /nfs/dbraw/zinc/72/95/19/789729519.db2.gz HGRXSXFELYSTMC-LBPRGKRZSA-N 1 2 349.460 0.952 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCCN1c1ccnc(C#N)n1 ZINC001069376558 789784434 /nfs/dbraw/zinc/78/44/34/789784434.db2.gz ZKRMFEFZLCWIEV-STQMWFEESA-N 1 2 325.376 0.718 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001073394726 789786763 /nfs/dbraw/zinc/78/67/63/789786763.db2.gz HIHGRVBUFRUPIF-GJZGRUSLSA-N 1 2 346.431 0.665 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC001073420813 789814361 /nfs/dbraw/zinc/81/43/61/789814361.db2.gz JKQKPMFWMNBLIA-KDOFPFPSSA-N 1 2 348.447 0.954 20 30 ECEDLO CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1Nc1ccc(C#N)nn1 ZINC001069584096 789918929 /nfs/dbraw/zinc/91/89/29/789918929.db2.gz WNXJRKKWTIZWGU-LBPRGKRZSA-N 1 2 325.376 0.963 20 30 ECEDLO C=CCN1CCn2ncc(CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)c2C1 ZINC001069865738 790122618 /nfs/dbraw/zinc/12/26/18/790122618.db2.gz OQAYPJUGKFPMRG-CQSZACIVSA-N 1 2 340.431 0.960 20 30 ECEDLO C=CCn1cc(C(=O)NCc2cnn3c2C[N@H+](C(C)C)CC3)nn1 ZINC001069876848 790138871 /nfs/dbraw/zinc/13/88/71/790138871.db2.gz QHGNRJCIIWMJAV-UHFFFAOYSA-N 1 2 329.408 0.815 20 30 ECEDLO C=CCn1cc(C(=O)NCc2cnn3c2C[N@@H+](C(C)C)CC3)nn1 ZINC001069876848 790138874 /nfs/dbraw/zinc/13/88/74/790138874.db2.gz QHGNRJCIIWMJAV-UHFFFAOYSA-N 1 2 329.408 0.815 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CCC(=O)N(C)C3)c2C1 ZINC001069883702 790150259 /nfs/dbraw/zinc/15/02/59/790150259.db2.gz WZVLDSRKAJGBCD-CQSZACIVSA-N 1 2 345.447 0.759 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CCC(=O)N(C)C3)c2C1 ZINC001069883702 790150262 /nfs/dbraw/zinc/15/02/62/790150262.db2.gz WZVLDSRKAJGBCD-CQSZACIVSA-N 1 2 345.447 0.759 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)n2C)[C@@H](n2ccnn2)C1 ZINC001069896164 790163841 /nfs/dbraw/zinc/16/38/41/790163841.db2.gz BKEQGMGWRJCUSG-ZBFHGGJFSA-N 1 2 326.404 0.604 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)n2C)[C@@H](n2ccnn2)C1 ZINC001069896164 790163844 /nfs/dbraw/zinc/16/38/44/790163844.db2.gz BKEQGMGWRJCUSG-ZBFHGGJFSA-N 1 2 326.404 0.604 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(C(C)C)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001069921480 790192455 /nfs/dbraw/zinc/19/24/55/790192455.db2.gz IWKPBAKWAUKNML-ZBFHGGJFSA-N 1 2 343.435 0.976 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(C)C)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001069921480 790192458 /nfs/dbraw/zinc/19/24/58/790192458.db2.gz IWKPBAKWAUKNML-ZBFHGGJFSA-N 1 2 343.435 0.976 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3cccnc3n2)[C@@H](n2ccnn2)C1 ZINC001069932388 790205265 /nfs/dbraw/zinc/20/52/65/790205265.db2.gz ZCZFURHGLFCVHO-CVEARBPZSA-N 1 2 347.382 0.510 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3cccnc3n2)[C@@H](n2ccnn2)C1 ZINC001069932388 790205268 /nfs/dbraw/zinc/20/52/68/790205268.db2.gz ZCZFURHGLFCVHO-CVEARBPZSA-N 1 2 347.382 0.510 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)c2cccnc2)[C@@H](n2ccnn2)C1 ZINC001069964615 790249960 /nfs/dbraw/zinc/24/99/60/790249960.db2.gz QBIVJHZWMKYGDD-CVEARBPZSA-N 1 2 338.415 0.626 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)c2cccnc2)[C@@H](n2ccnn2)C1 ZINC001069964615 790249964 /nfs/dbraw/zinc/24/99/64/790249964.db2.gz QBIVJHZWMKYGDD-CVEARBPZSA-N 1 2 338.415 0.626 20 30 ECEDLO C=CCC[N@@H+]1C[C@@H](NC(=O)c2[nH]nc3c2CCC3)[C@@H](n2ccnn2)C1 ZINC001069966885 790253918 /nfs/dbraw/zinc/25/39/18/790253918.db2.gz AHGDMSZZOCGSCV-CABCVRRESA-N 1 2 341.419 0.721 20 30 ECEDLO C=CCC[N@H+]1C[C@@H](NC(=O)c2[nH]nc3c2CCC3)[C@@H](n2ccnn2)C1 ZINC001069966885 790253923 /nfs/dbraw/zinc/25/39/23/790253923.db2.gz AHGDMSZZOCGSCV-CABCVRRESA-N 1 2 341.419 0.721 20 30 ECEDLO CC(C)(C)C#CC(=O)N[C@@H]1COC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001068865063 791298081 /nfs/dbraw/zinc/29/80/81/791298081.db2.gz RCKQKDHKVATBTO-ZDUSSCGKSA-N 1 2 344.415 0.488 20 30 ECEDLO C=C(C)CCC(=O)N[C@@H]1COC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001068891991 791355332 /nfs/dbraw/zinc/35/53/32/791355332.db2.gz YQABQXQRRITKHA-AWEZNQCLSA-N 1 2 346.431 0.805 20 30 ECEDLO C#CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)Cc1c[nH+]cn1C)CO2 ZINC001068935696 791456171 /nfs/dbraw/zinc/45/61/71/791456171.db2.gz URDVXJZVTYVOFJ-CQSZACIVSA-N 1 2 344.415 0.252 20 30 ECEDLO CC(C)C#CC(=O)N1CC2(C1)C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)CO2 ZINC001068985057 791551428 /nfs/dbraw/zinc/55/14/28/791551428.db2.gz YZMUHXKJOXNPHF-CYBMUJFWSA-N 1 2 330.388 0.098 20 30 ECEDLO C#CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)Cc1c[nH]c[nH+]1)CO2 ZINC001069060186 791666875 /nfs/dbraw/zinc/66/68/75/791666875.db2.gz WOPVPEBABBTRNS-AWEZNQCLSA-N 1 2 330.388 0.242 20 30 ECEDLO C[C@H]1C[C@H](Nc2nccnc2C#N)CN1C(=O)Cc1c[nH+]cn1C ZINC001069121823 791722329 /nfs/dbraw/zinc/72/23/29/791722329.db2.gz LNSDRHCYAYCZBI-RYUDHWBXSA-N 1 2 325.376 0.726 20 30 ECEDLO N#Cc1cnc(NC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CCO2)c(F)c1 ZINC001066680041 791974887 /nfs/dbraw/zinc/97/48/87/791974887.db2.gz FVFGMZBPDKTSBY-CYBMUJFWSA-N 1 2 344.350 0.697 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(c3nccnc3C#N)CC2)C1 ZINC001066698207 792016251 /nfs/dbraw/zinc/01/62/51/792016251.db2.gz IVODNFMAECHIFD-KBPBESRZSA-N 1 2 339.403 0.231 20 30 ECEDLO Cc1cnc(C)nc1N1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001066699199 792021496 /nfs/dbraw/zinc/02/14/96/792021496.db2.gz UCLHOQUUJRSEMM-BBRMVZONSA-N 1 2 342.447 0.976 20 30 ECEDLO CC[C@H](F)C(=O)N1CC[C@@H]([NH+]2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001066699802 792024703 /nfs/dbraw/zinc/02/47/03/792024703.db2.gz GFTANFHWXZZCHC-KGLIPLIRSA-N 1 2 346.410 0.819 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NC1CC(CNc2cnc(C#N)cn2)C1 ZINC001067856654 792381601 /nfs/dbraw/zinc/38/16/01/792381601.db2.gz GNGKMYUKYOAUDV-UHFFFAOYSA-N 1 2 325.376 0.631 20 30 ECEDLO C[C@H]1CCN(c2nccnc2C#N)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067967099 792521336 /nfs/dbraw/zinc/52/13/36/792521336.db2.gz JSMQYAWYGYLNJP-AAEUAGOBSA-N 1 2 325.376 0.645 20 30 ECEDLO C=CCOCC(=O)N(C)CCCN(C)C(=O)CCc1[nH+]ccn1C ZINC001066998958 792539020 /nfs/dbraw/zinc/53/90/20/792539020.db2.gz LBLTXBVQQVYQCO-UHFFFAOYSA-N 1 2 336.436 0.862 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)CCCN(C)C(=O)Cc2[nH]cc[nH+]2)c1 ZINC001068029309 792588502 /nfs/dbraw/zinc/58/85/02/792588502.db2.gz SWNOPLWEFPRYMS-UHFFFAOYSA-N 1 2 339.399 0.949 20 30 ECEDLO Cc1cc(C#N)nc(N2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)C2)n1 ZINC001068119561 792704485 /nfs/dbraw/zinc/70/44/85/792704485.db2.gz QFTGSVNEPFQJAA-ZDUSSCGKSA-N 1 2 339.403 0.954 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@@H](Nc2nccnc2C#N)C1 ZINC001067126202 792725999 /nfs/dbraw/zinc/72/59/99/792725999.db2.gz BCZSNBQJCXRPJG-YGRLFVJLSA-N 1 2 325.376 0.881 20 30 ECEDLO CC1(C)CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001068139893 792735595 /nfs/dbraw/zinc/73/55/95/792735595.db2.gz KQZZMHPUMJQJSQ-CYBMUJFWSA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@H](Nc1cncc(C#N)n1)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001068246106 792928679 /nfs/dbraw/zinc/92/86/79/792928679.db2.gz UCKNVQMFGYCASW-SMDDNHRTSA-N 1 2 341.375 0.342 20 30 ECEDLO C#CCOCCC(=O)N(C)CCCN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001067300050 792959725 /nfs/dbraw/zinc/95/97/25/792959725.db2.gz WHAYZTJNYZBFKC-UHFFFAOYSA-N 1 2 334.420 0.689 20 30 ECEDLO C[C@H]1C[C@H](CNc2cncc(C#N)n2)CN1C(=O)Cc1c[nH+]cn1C ZINC001068336895 793071788 /nfs/dbraw/zinc/07/17/88/793071788.db2.gz HAUFNMWUJGAAPI-QWHCGFSZSA-N 1 2 339.403 0.973 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC001067407679 793111421 /nfs/dbraw/zinc/11/14/21/793111421.db2.gz JXGRIDYLKVEJHH-AAEUAGOBSA-N 1 2 339.403 0.954 20 30 ECEDLO C#CCCCC(=O)N1CCOC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001068389134 793182334 /nfs/dbraw/zinc/18/23/34/793182334.db2.gz XRJFYENSNOYOJC-UHFFFAOYSA-N 1 2 344.415 0.586 20 30 ECEDLO C#CCCCC(=O)N1CCOC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001068389134 793182338 /nfs/dbraw/zinc/18/23/38/793182338.db2.gz XRJFYENSNOYOJC-UHFFFAOYSA-N 1 2 344.415 0.586 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCOC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001068433758 793308883 /nfs/dbraw/zinc/30/88/83/793308883.db2.gz ZGCAYBYQQITANA-ZIAGYGMSSA-N 1 2 346.431 0.850 20 30 ECEDLO CC#CCCCC(=O)N1CC2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)CCO2 ZINC001068441743 793319751 /nfs/dbraw/zinc/31/97/51/793319751.db2.gz CTPVHAJNSGDEQM-UHFFFAOYSA-N 1 2 344.415 0.586 20 30 ECEDLO CCCN(C(=O)Cc1ccco1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267547079 837741760 /nfs/dbraw/zinc/74/17/60/837741760.db2.gz IKYUPAAMJIVWKO-CQSZACIVSA-N 1 2 332.404 0.775 20 30 ECEDLO CCCN(C(=O)Cc1ccco1)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267547079 837741771 /nfs/dbraw/zinc/74/17/71/837741771.db2.gz IKYUPAAMJIVWKO-CQSZACIVSA-N 1 2 332.404 0.775 20 30 ECEDLO COCC#CC[NH+]1CCN(CCN(C)C(=O)c2cnc(C)cn2)CC1 ZINC001267574001 837818971 /nfs/dbraw/zinc/81/89/71/837818971.db2.gz RXSOALMIECCWOF-UHFFFAOYSA-N 1 2 345.447 0.124 20 30 ECEDLO COCC#CCN1CC[NH+](CCN(C)C(=O)c2cnc(C)cn2)CC1 ZINC001267574001 837818982 /nfs/dbraw/zinc/81/89/82/837818982.db2.gz RXSOALMIECCWOF-UHFFFAOYSA-N 1 2 345.447 0.124 20 30 ECEDLO C=CCCC(=O)NCC[NH+]1CCN([C@H](C)c2nnnn2C2CC2)CC1 ZINC001266281122 835609224 /nfs/dbraw/zinc/60/92/24/835609224.db2.gz GMSOTCUWOIWYOJ-CQSZACIVSA-N 1 2 347.467 0.769 20 30 ECEDLO C=CCOCC(=O)NCC[NH+]1CCN(Cc2cnc(C)cn2)CC1 ZINC001266280994 835609620 /nfs/dbraw/zinc/60/96/20/835609620.db2.gz AVMRCIOJROWQTR-UHFFFAOYSA-N 1 2 333.436 0.221 20 30 ECEDLO CN(CC(=O)NCC[NH+]1CCN(CC#N)CC1)C(=O)c1cccs1 ZINC001266285890 835621822 /nfs/dbraw/zinc/62/18/22/835621822.db2.gz QPQAODUNOSCICO-UHFFFAOYSA-N 1 2 349.460 0.077 20 30 ECEDLO N#CCN1CC[NH+](CCNC(=O)c2ccnc(C(F)(F)F)c2)CC1 ZINC001266294768 835641364 /nfs/dbraw/zinc/64/13/64/835641364.db2.gz KVRJIJMWEQOHCQ-UHFFFAOYSA-N 1 2 341.337 0.971 20 30 ECEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(=O)N[C@H](C)COC)C1 ZINC001266307660 835672307 /nfs/dbraw/zinc/67/23/07/835672307.db2.gz IKANWQRQUNPHHM-OLZOCXBDSA-N 1 2 340.424 0.004 20 30 ECEDLO C=CCCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(=O)N[C@H](C)COC)C1 ZINC001266307660 835672313 /nfs/dbraw/zinc/67/23/13/835672313.db2.gz IKANWQRQUNPHHM-OLZOCXBDSA-N 1 2 340.424 0.004 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccnn2[C@H](C)CC)C1 ZINC001266322831 835697171 /nfs/dbraw/zinc/69/71/71/835697171.db2.gz OOHHADJCVLFUSS-KGLIPLIRSA-N 1 2 333.436 0.960 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccnn2[C@H](C)CC)C1 ZINC001266322831 835697176 /nfs/dbraw/zinc/69/71/76/835697176.db2.gz OOHHADJCVLFUSS-KGLIPLIRSA-N 1 2 333.436 0.960 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)Cc1c[nH]c2ccccc12 ZINC001266352056 835751854 /nfs/dbraw/zinc/75/18/54/835751854.db2.gz LBEBKGQRAQRKTL-UHFFFAOYSA-N 1 2 326.400 0.508 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)Cc1c[nH]c2ccccc12 ZINC001266352056 835751865 /nfs/dbraw/zinc/75/18/65/835751865.db2.gz LBEBKGQRAQRKTL-UHFFFAOYSA-N 1 2 326.400 0.508 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2conc2COC)C1 ZINC001266353673 835756261 /nfs/dbraw/zinc/75/62/61/835756261.db2.gz ZPGGZJANBNJJLY-VXGBXAGGSA-N 1 2 336.392 0.316 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2conc2COC)C1 ZINC001266353673 835756270 /nfs/dbraw/zinc/75/62/70/835756270.db2.gz ZPGGZJANBNJJLY-VXGBXAGGSA-N 1 2 336.392 0.316 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C(F)F ZINC001266444341 835847998 /nfs/dbraw/zinc/84/79/98/835847998.db2.gz YZFBPRXOSVTYJI-UWVGGRQHSA-N 1 2 332.351 0.232 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)C(F)F ZINC001266444341 835848005 /nfs/dbraw/zinc/84/80/05/835848005.db2.gz YZFBPRXOSVTYJI-UWVGGRQHSA-N 1 2 332.351 0.232 20 30 ECEDLO CC(C)C#CC(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC001266460988 835863364 /nfs/dbraw/zinc/86/33/64/835863364.db2.gz HGYLZPUNQGJKPB-AWEZNQCLSA-N 1 2 334.420 0.215 20 30 ECEDLO CC(C)C#CC(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC001266460988 835863368 /nfs/dbraw/zinc/86/33/68/835863368.db2.gz HGYLZPUNQGJKPB-AWEZNQCLSA-N 1 2 334.420 0.215 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)c1c[nH]c(C)cc1=O)C1CC1 ZINC001266615165 836049786 /nfs/dbraw/zinc/04/97/86/836049786.db2.gz BGLXYNXXHYHKFI-CYBMUJFWSA-N 1 2 346.431 0.568 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)c1c[nH]c(C)cc1=O)C1CC1 ZINC001266615165 836049799 /nfs/dbraw/zinc/04/97/99/836049799.db2.gz BGLXYNXXHYHKFI-CYBMUJFWSA-N 1 2 346.431 0.568 20 30 ECEDLO CCn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)CSCC#N)C2)nn1 ZINC001266740565 836222385 /nfs/dbraw/zinc/22/23/85/836222385.db2.gz UNJDFPCPYZZISA-ZDUSSCGKSA-N 1 2 336.465 0.883 20 30 ECEDLO CCn1cc(C[N@H+]2CCC[C@@H](CNC(=O)CSCC#N)C2)nn1 ZINC001266740565 836222394 /nfs/dbraw/zinc/22/23/94/836222394.db2.gz UNJDFPCPYZZISA-ZDUSSCGKSA-N 1 2 336.465 0.883 20 30 ECEDLO C=CCOCC(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2ccon2)C1 ZINC001266744165 836228014 /nfs/dbraw/zinc/22/80/14/836228014.db2.gz WLOFNXMSMHRLER-CYBMUJFWSA-N 1 2 336.392 0.644 20 30 ECEDLO C=CCOCC(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC001266744165 836228023 /nfs/dbraw/zinc/22/80/23/836228023.db2.gz WLOFNXMSMHRLER-CYBMUJFWSA-N 1 2 336.392 0.644 20 30 ECEDLO CCCc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=O)NCC#N)[nH]n1 ZINC001266849822 836381672 /nfs/dbraw/zinc/38/16/72/836381672.db2.gz OPPAUKMVCLQAFG-AWEZNQCLSA-N 1 2 346.435 0.586 20 30 ECEDLO CCCc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(=O)NCC#N)[nH]n1 ZINC001266849822 836381680 /nfs/dbraw/zinc/38/16/80/836381680.db2.gz OPPAUKMVCLQAFG-AWEZNQCLSA-N 1 2 346.435 0.586 20 30 ECEDLO C#CCOCCC(=O)NCC1(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001299162060 836716037 /nfs/dbraw/zinc/71/60/37/836716037.db2.gz NYUDCASUWKCAKG-ZDUSSCGKSA-N 1 2 344.415 0.635 20 30 ECEDLO C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001267087533 836737581 /nfs/dbraw/zinc/73/75/81/836737581.db2.gz FNBQFAKUADGQKU-QWHCGFSZSA-N 1 2 342.403 0.112 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCC[N@@H+](C)CC(=O)Nc1c(C)n[nH]c1C ZINC001267193339 836957243 /nfs/dbraw/zinc/95/72/43/836957243.db2.gz NSWGKOIHCUZHNR-INIZCTEOSA-N 1 2 337.424 0.340 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCC[N@H+](C)CC(=O)Nc1c(C)n[nH]c1C ZINC001267193339 836957256 /nfs/dbraw/zinc/95/72/56/836957256.db2.gz NSWGKOIHCUZHNR-INIZCTEOSA-N 1 2 337.424 0.340 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cnn2cc(C)cnc12 ZINC001267218643 837010295 /nfs/dbraw/zinc/01/02/95/837010295.db2.gz CEQUVISVJCDXRF-UHFFFAOYSA-N 1 2 330.392 0.002 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cnn2cc(C)cnc12 ZINC001267218643 837010301 /nfs/dbraw/zinc/01/03/01/837010301.db2.gz CEQUVISVJCDXRF-UHFFFAOYSA-N 1 2 330.392 0.002 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)Cc1cn2cccc(C)c2n1 ZINC001267221852 837016505 /nfs/dbraw/zinc/01/65/05/837016505.db2.gz YOZQJCAHFDXODB-UHFFFAOYSA-N 1 2 343.431 0.535 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)Cc1cn2cccc(C)c2n1 ZINC001267221852 837016514 /nfs/dbraw/zinc/01/65/14/837016514.db2.gz YOZQJCAHFDXODB-UHFFFAOYSA-N 1 2 343.431 0.535 20 30 ECEDLO C[N@H+](CCNC(=O)c1[nH]ccc1-c1ccccc1)CC(=O)NCC#N ZINC001267226528 837025581 /nfs/dbraw/zinc/02/55/81/837025581.db2.gz WTRDBTSQLJXSRA-UHFFFAOYSA-N 1 2 339.399 0.983 20 30 ECEDLO C[N@@H+](CCNC(=O)c1[nH]ccc1-c1ccccc1)CC(=O)NCC#N ZINC001267226528 837025595 /nfs/dbraw/zinc/02/55/95/837025595.db2.gz WTRDBTSQLJXSRA-UHFFFAOYSA-N 1 2 339.399 0.983 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cn(CC)nc1C ZINC001267277856 837123261 /nfs/dbraw/zinc/12/32/61/837123261.db2.gz BTWFSUMLOWIBHF-CQSZACIVSA-N 1 2 331.420 0.155 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(CC)nc1C ZINC001267277856 837123264 /nfs/dbraw/zinc/12/32/64/837123264.db2.gz BTWFSUMLOWIBHF-CQSZACIVSA-N 1 2 331.420 0.155 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C2CC2)no1 ZINC001267278483 837125062 /nfs/dbraw/zinc/12/50/62/837125062.db2.gz LGQBEJBVJYOYFG-TZMCWYRMSA-N 1 2 344.415 0.884 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C2CC2)no1 ZINC001267278483 837125069 /nfs/dbraw/zinc/12/50/69/837125069.db2.gz LGQBEJBVJYOYFG-TZMCWYRMSA-N 1 2 344.415 0.884 20 30 ECEDLO N#CCSCC(=O)NC[C@@H]1CC[N@@H+](Cc2ncnn2CCF)C1 ZINC001267288420 837138669 /nfs/dbraw/zinc/13/86/69/837138669.db2.gz LINIGOBMTILPDZ-LBPRGKRZSA-N 1 2 340.428 0.442 20 30 ECEDLO N#CCSCC(=O)NC[C@@H]1CC[N@H+](Cc2ncnn2CCF)C1 ZINC001267288420 837138676 /nfs/dbraw/zinc/13/86/76/837138676.db2.gz LINIGOBMTILPDZ-LBPRGKRZSA-N 1 2 340.428 0.442 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CCN(C)C(=O)C[C@@H]2C=CCC2)CC1 ZINC001267605030 837939831 /nfs/dbraw/zinc/93/98/31/837939831.db2.gz KCLSNZPZABOEFU-QGZVFWFLSA-N 1 2 346.475 0.168 20 30 ECEDLO C#CCNC(=O)[C@H](C)N1CC[NH+](CCN(C)C(=O)CCC2CC2)CC1 ZINC001267606339 837945204 /nfs/dbraw/zinc/94/52/04/837945204.db2.gz VUFDOXNUFJIKCV-INIZCTEOSA-N 1 2 348.491 0.391 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(CCN(C)C(=O)CCC2CC2)CC1 ZINC001267606339 837945212 /nfs/dbraw/zinc/94/52/12/837945212.db2.gz VUFDOXNUFJIKCV-INIZCTEOSA-N 1 2 348.491 0.391 20 30 ECEDLO C[C@@H]1CCn2cc(C(=O)N(C)CC[NH+]3CCN(CC#N)CC3)nc2C1 ZINC001267607324 837949764 /nfs/dbraw/zinc/94/97/64/837949764.db2.gz DUUVNPFYXUPXJJ-OAHLLOKOSA-N 1 2 344.463 0.679 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cnn(CC)c2)C1 ZINC001267611018 837975517 /nfs/dbraw/zinc/97/55/17/837975517.db2.gz WGGKEZCADNJXSX-UKRRQHHQSA-N 1 2 333.436 0.788 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cnn(CC)c2)C1 ZINC001267611018 837975519 /nfs/dbraw/zinc/97/55/19/837975519.db2.gz WGGKEZCADNJXSX-UKRRQHHQSA-N 1 2 333.436 0.788 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2n[nH]c3c2CCCC3)C1 ZINC001267615547 837996247 /nfs/dbraw/zinc/99/62/47/837996247.db2.gz COWOLHKUCVHDNP-CYBMUJFWSA-N 1 2 343.431 0.232 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2n[nH]c3c2CCCC3)C1 ZINC001267615547 837996251 /nfs/dbraw/zinc/99/62/51/837996251.db2.gz COWOLHKUCVHDNP-CYBMUJFWSA-N 1 2 343.431 0.232 20 30 ECEDLO C=C[C@H](C(=O)N(C)CC[NH+]1CCN(CC(N)=O)CC1)c1ccccc1 ZINC001267618381 838049989 /nfs/dbraw/zinc/04/99/89/838049989.db2.gz NTOQLVUTJSGULT-KRWDZBQOSA-N 1 2 344.459 0.518 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2nonc2C)C1 ZINC001267620439 838058531 /nfs/dbraw/zinc/05/85/31/838058531.db2.gz ASLSKLSVXNTOKL-CQSZACIVSA-N 1 2 349.435 0.997 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](NC(=O)c2nonc2C)C1 ZINC001267620439 838058546 /nfs/dbraw/zinc/05/85/46/838058546.db2.gz ASLSKLSVXNTOKL-CQSZACIVSA-N 1 2 349.435 0.997 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2ccnc(C3CC3)n2)C1 ZINC001267632570 838095761 /nfs/dbraw/zinc/09/57/61/838095761.db2.gz ZCAFQYHJBHSDGN-AWEZNQCLSA-N 1 2 343.431 0.850 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2ccnc(C3CC3)n2)C1 ZINC001267632570 838095775 /nfs/dbraw/zinc/09/57/75/838095775.db2.gz ZCAFQYHJBHSDGN-AWEZNQCLSA-N 1 2 343.431 0.850 20 30 ECEDLO COC[C@H](C)OC[C@H](O)C[NH+]1CC(NC(=O)C#CC(C)(C)C)C1 ZINC001267644717 838128083 /nfs/dbraw/zinc/12/80/83/838128083.db2.gz DALUCWJBZNYUPE-DZGCQCFKSA-N 1 2 326.437 0.249 20 30 ECEDLO C=CCOCC[NH+]1CC(NC(=O)c2cnn3c2nc(C)cc3C)C1 ZINC001267655961 838167608 /nfs/dbraw/zinc/16/76/08/838167608.db2.gz VVGQXDQAHBTVCX-UHFFFAOYSA-N 1 2 329.404 0.963 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC1C[NH+]([C@H](C)C(=O)NCc2ccco2)C1 ZINC001267681441 838242031 /nfs/dbraw/zinc/24/20/31/838242031.db2.gz MZCYUVROXWGACZ-KGLIPLIRSA-N 1 2 347.415 0.371 20 30 ECEDLO O=C(Cn1ncnn1)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001267682456 838242094 /nfs/dbraw/zinc/24/20/94/838242094.db2.gz XXSOFFICZZVALO-UHFFFAOYSA-N 1 2 344.806 0.426 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC001267686946 838250149 /nfs/dbraw/zinc/25/01/49/838250149.db2.gz VSBFONDLGLIHTA-GUYCJALGSA-N 1 2 341.411 0.176 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2ccc3c(c2)C[C@@H](C)O3)C1 ZINC001267694898 838279257 /nfs/dbraw/zinc/27/92/57/838279257.db2.gz UBINZYPNFGOJQF-CYBMUJFWSA-N 1 2 343.427 0.974 20 30 ECEDLO C[C@H](C[N@@H+]1CC[C@H](NC(=O)CSCC#N)C1)CS(C)(=O)=O ZINC001267718861 838371310 /nfs/dbraw/zinc/37/13/10/838371310.db2.gz KUCJKXBJKWSHSL-NEPJUHHUSA-N 1 2 333.479 0.114 20 30 ECEDLO C[C@H](C[N@H+]1CC[C@H](NC(=O)CSCC#N)C1)CS(C)(=O)=O ZINC001267718861 838371317 /nfs/dbraw/zinc/37/13/17/838371317.db2.gz KUCJKXBJKWSHSL-NEPJUHHUSA-N 1 2 333.479 0.114 20 30 ECEDLO CC(C)C#CC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC001267722920 838377093 /nfs/dbraw/zinc/37/70/93/838377093.db2.gz RKCYLMLIWOUVLQ-KGLIPLIRSA-N 1 2 336.436 0.459 20 30 ECEDLO CC(C)C#CC(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC001267722920 838377101 /nfs/dbraw/zinc/37/71/01/838377101.db2.gz RKCYLMLIWOUVLQ-KGLIPLIRSA-N 1 2 336.436 0.459 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC2CCC(OC)CC2)C1 ZINC001267735513 838429878 /nfs/dbraw/zinc/42/98/78/838429878.db2.gz BBQHIMQEDGDEOF-PCKAHOCUSA-N 1 2 335.448 0.522 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC2CCC(OC)CC2)C1 ZINC001267735513 838429883 /nfs/dbraw/zinc/42/98/83/838429883.db2.gz BBQHIMQEDGDEOF-PCKAHOCUSA-N 1 2 335.448 0.522 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001267745361 838449297 /nfs/dbraw/zinc/44/92/97/838449297.db2.gz NOLVBFKIGBYAIB-HZSPNIEDSA-N 1 2 332.429 0.682 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001267745361 838449300 /nfs/dbraw/zinc/44/93/00/838449300.db2.gz NOLVBFKIGBYAIB-HZSPNIEDSA-N 1 2 332.429 0.682 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccnc2C(F)F)C1 ZINC001267745281 838449478 /nfs/dbraw/zinc/44/94/78/838449478.db2.gz ZFJHWAURIPDXLO-LLVKDONJSA-N 1 2 336.342 0.573 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccnc2C(F)F)C1 ZINC001267745281 838449482 /nfs/dbraw/zinc/44/94/82/838449482.db2.gz ZFJHWAURIPDXLO-LLVKDONJSA-N 1 2 336.342 0.573 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2csc(C)n2)C1 ZINC001267749490 838465585 /nfs/dbraw/zinc/46/55/85/838465585.db2.gz JWDADOGBJISTJB-CYBMUJFWSA-N 1 2 334.445 0.324 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2csc(C)n2)C1 ZINC001267749490 838465589 /nfs/dbraw/zinc/46/55/89/838465589.db2.gz JWDADOGBJISTJB-CYBMUJFWSA-N 1 2 334.445 0.324 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cnon2)C1 ZINC001267750951 838473284 /nfs/dbraw/zinc/47/32/84/838473284.db2.gz KRZOORSQTOOKQY-CHWSQXEVSA-N 1 2 335.408 0.687 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cnon2)C1 ZINC001267750951 838473285 /nfs/dbraw/zinc/47/32/85/838473285.db2.gz KRZOORSQTOOKQY-CHWSQXEVSA-N 1 2 335.408 0.687 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001267768871 838510279 /nfs/dbraw/zinc/51/02/79/838510279.db2.gz REABCOYSBIDTBJ-ZDUSSCGKSA-N 1 2 345.447 0.603 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001267768871 838510284 /nfs/dbraw/zinc/51/02/84/838510284.db2.gz REABCOYSBIDTBJ-ZDUSSCGKSA-N 1 2 345.447 0.603 20 30 ECEDLO CCN(C(=O)c1n[nH]c(C)c1C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267783323 838556764 /nfs/dbraw/zinc/55/67/64/838556764.db2.gz ADVGRUFSODDFPB-ZDUSSCGKSA-N 1 2 332.408 0.203 20 30 ECEDLO CCN(C(=O)c1n[nH]c(C)c1C)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267783323 838556772 /nfs/dbraw/zinc/55/67/72/838556772.db2.gz ADVGRUFSODDFPB-ZDUSSCGKSA-N 1 2 332.408 0.203 20 30 ECEDLO CCN(C(=O)c1cnn(CC)c1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267783611 838558282 /nfs/dbraw/zinc/55/82/82/838558282.db2.gz CJOFNWFCRCRDMC-AWEZNQCLSA-N 1 2 332.408 0.079 20 30 ECEDLO CCN(C(=O)c1cnn(CC)c1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267783611 838558286 /nfs/dbraw/zinc/55/82/86/838558286.db2.gz CJOFNWFCRCRDMC-AWEZNQCLSA-N 1 2 332.408 0.079 20 30 ECEDLO CCN(C(=O)[C@@H](C)CSC)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267786000 838562055 /nfs/dbraw/zinc/56/20/55/838562055.db2.gz SKRVYHFXBTWCGS-STQMWFEESA-N 1 2 326.466 0.548 20 30 ECEDLO CCN(C(=O)[C@@H](C)CSC)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267786000 838562060 /nfs/dbraw/zinc/56/20/60/838562060.db2.gz SKRVYHFXBTWCGS-STQMWFEESA-N 1 2 326.466 0.548 20 30 ECEDLO CCN(C(=O)c1ccc(Cl)cn1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267789227 838569360 /nfs/dbraw/zinc/56/93/60/838569360.db2.gz GSJGODAJRJXPQP-CYBMUJFWSA-N 1 2 349.822 0.911 20 30 ECEDLO CCN(C(=O)c1ccc(Cl)cn1)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267789227 838569366 /nfs/dbraw/zinc/56/93/66/838569366.db2.gz GSJGODAJRJXPQP-CYBMUJFWSA-N 1 2 349.822 0.911 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC=CCC3)C2)nn1 ZINC001105153676 838690403 /nfs/dbraw/zinc/69/04/03/838690403.db2.gz XNWZQJMGPUDZLX-HNNXBMFYSA-N 1 2 343.431 0.757 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]nc2CCC)C1 ZINC001267949392 838842084 /nfs/dbraw/zinc/84/20/84/838842084.db2.gz JECSDCCUJHZBGC-UONOGXRCSA-N 1 2 345.447 0.694 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2c[nH]nc2CCC)C1 ZINC001267949392 838842092 /nfs/dbraw/zinc/84/20/92/838842092.db2.gz JECSDCCUJHZBGC-UONOGXRCSA-N 1 2 345.447 0.694 20 30 ECEDLO Cc1cccc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)c1C#N ZINC000174637403 231264364 /nfs/dbraw/zinc/26/43/64/231264364.db2.gz SJEFMXYZWNWUBN-CYBMUJFWSA-N 1 2 330.388 0.642 20 30 ECEDLO CC[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)CCO1 ZINC000427869355 210226223 /nfs/dbraw/zinc/22/62/23/210226223.db2.gz WGAGHXCRXTZZEA-AWEZNQCLSA-N 1 2 348.378 0.863 20 30 ECEDLO CC[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)CCO1 ZINC000427869355 210226225 /nfs/dbraw/zinc/22/62/25/210226225.db2.gz WGAGHXCRXTZZEA-AWEZNQCLSA-N 1 2 348.378 0.863 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](c3nnc[nH]3)C2)nc1 ZINC000425550866 210071850 /nfs/dbraw/zinc/07/18/50/210071850.db2.gz PLNXWPDKGYFGRG-LBPRGKRZSA-N 1 2 332.389 0.335 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](c3nnc[nH]3)C2)nc1 ZINC000425550866 210071852 /nfs/dbraw/zinc/07/18/52/210071852.db2.gz PLNXWPDKGYFGRG-LBPRGKRZSA-N 1 2 332.389 0.335 20 30 ECEDLO CC(C)(C(=O)N[C@H](CO)C[NH+]1CCOCC1)c1cc(F)cc(C#N)c1 ZINC000425293725 210035713 /nfs/dbraw/zinc/03/57/13/210035713.db2.gz LIJPLFLESOLCSO-INIZCTEOSA-N 1 2 349.406 0.784 20 30 ECEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1 ZINC000355104328 299202031 /nfs/dbraw/zinc/20/20/31/299202031.db2.gz MDWVGCVUVQGSMB-GJZGRUSLSA-N 1 2 327.388 0.621 20 30 ECEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1 ZINC000355104328 299202033 /nfs/dbraw/zinc/20/20/33/299202033.db2.gz MDWVGCVUVQGSMB-GJZGRUSLSA-N 1 2 327.388 0.621 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4nnnn4C)C3)C2)C1 ZINC001041654120 781934346 /nfs/dbraw/zinc/93/43/46/781934346.db2.gz YJBIZFHHWBUYQT-QGZVFWFLSA-N 1 2 330.436 0.991 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@]3(CC[N@H+](Cc4nnnn4C)C3)C2)C1 ZINC001041654120 781934359 /nfs/dbraw/zinc/93/43/59/781934359.db2.gz YJBIZFHHWBUYQT-QGZVFWFLSA-N 1 2 330.436 0.991 20 30 ECEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000129706495 223082874 /nfs/dbraw/zinc/08/28/74/223082874.db2.gz ZZHGCCVAKWTPIZ-WBVHZDCISA-N 1 2 328.416 0.739 20 30 ECEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000129706495 223082877 /nfs/dbraw/zinc/08/28/77/223082877.db2.gz ZZHGCCVAKWTPIZ-WBVHZDCISA-N 1 2 328.416 0.739 20 30 ECEDLO Cc1cccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c1C#N ZINC000246085947 243191071 /nfs/dbraw/zinc/19/10/71/243191071.db2.gz IIMIGIMWAHSJEI-UONOGXRCSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1C#N ZINC000246085947 243191079 /nfs/dbraw/zinc/19/10/79/243191079.db2.gz IIMIGIMWAHSJEI-UONOGXRCSA-N 1 2 337.445 0.942 20 30 ECEDLO N#Cc1ccnc(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000450294098 211317024 /nfs/dbraw/zinc/31/70/24/211317024.db2.gz LNUAQKSTUCALQG-UHFFFAOYSA-N 1 2 337.387 0.894 20 30 ECEDLO Cn1c(C#N)ccc1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000448771801 211260489 /nfs/dbraw/zinc/26/04/89/211260489.db2.gz BIULFVNOIWJTJH-MRXNPFEDSA-N 1 2 334.445 0.834 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000330389969 284998890 /nfs/dbraw/zinc/99/88/90/284998890.db2.gz OESBCBDBCZCBNM-LSDHHAIUSA-N 1 2 344.481 0.509 20 30 ECEDLO CS(=O)(=O)C[C@@H]1CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000429366619 210314715 /nfs/dbraw/zinc/31/47/15/210314715.db2.gz ZBYVCXPFELFUTK-OAHLLOKOSA-N 1 2 335.429 0.541 20 30 ECEDLO CS(=O)(=O)C[C@@H]1CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000429366619 210314717 /nfs/dbraw/zinc/31/47/17/210314717.db2.gz ZBYVCXPFELFUTK-OAHLLOKOSA-N 1 2 335.429 0.541 20 30 ECEDLO N#CCOc1ccc(CN2CC[NH+]([C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000264547224 254515988 /nfs/dbraw/zinc/51/59/88/254515988.db2.gz KDSOGEYNUYLRRO-MRXNPFEDSA-N 1 2 349.456 0.894 20 30 ECEDLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCS(=O)(=O)CC2)C[C@@H](C)O1 ZINC000329628118 254612683 /nfs/dbraw/zinc/61/26/83/254612683.db2.gz PSBAKUABXGDKQU-CHWSQXEVSA-N 1 2 347.481 0.519 20 30 ECEDLO COC(=O)[C@@H]1CC[C@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000412136116 254767838 /nfs/dbraw/zinc/76/78/38/254767838.db2.gz UMQKLNUMQBAYNL-LSDHHAIUSA-N 1 2 337.420 0.650 20 30 ECEDLO C[C@@H](NC(=O)C(=O)Nc1cccc(CC#N)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000453639172 254807169 /nfs/dbraw/zinc/80/71/69/254807169.db2.gz KBDLIQGDQAKJRS-ZIAGYGMSSA-N 1 2 344.415 0.917 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCN(C(=O)CC#N)CC1)C(=O)OC(C)(C)C ZINC000496761510 255127320 /nfs/dbraw/zinc/12/73/20/255127320.db2.gz WSTOAFRVIATWAW-CYBMUJFWSA-N 1 2 340.424 0.272 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC001077941453 781980290 /nfs/dbraw/zinc/98/02/90/781980290.db2.gz OZWHKZZXBWHBSQ-HUUCEWRRSA-N 1 2 325.372 0.270 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC001077941453 781980295 /nfs/dbraw/zinc/98/02/95/781980295.db2.gz OZWHKZZXBWHBSQ-HUUCEWRRSA-N 1 2 325.372 0.270 20 30 ECEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(CS(N)(=O)=O)CC2)cc1 ZINC000089992433 296631548 /nfs/dbraw/zinc/63/15/48/296631548.db2.gz FUQKSARPGXMJIY-CQSZACIVSA-N 1 2 336.417 0.085 20 30 ECEDLO Cc1nc(N2CCN(C(=O)[C@H](C)n3cnc(C#N)n3)CC2)cc[nH+]1 ZINC000337072765 270005968 /nfs/dbraw/zinc/00/59/68/270005968.db2.gz ZGDNJAWJJAKGBB-NSHDSACASA-N 1 2 326.364 0.158 20 30 ECEDLO Cc1nc(N2CCN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC2)cc[nH+]1 ZINC000337072764 270006045 /nfs/dbraw/zinc/00/60/45/270006045.db2.gz ZGDNJAWJJAKGBB-LLVKDONJSA-N 1 2 326.364 0.158 20 30 ECEDLO N#Cc1ccc(CS(=O)(=O)CC(=O)NCC[NH+]2CCCC2)cc1 ZINC000357573083 270007133 /nfs/dbraw/zinc/00/71/33/270007133.db2.gz SBYDRRSQYQOBSY-UHFFFAOYSA-N 1 2 335.429 0.685 20 30 ECEDLO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000367885647 270007508 /nfs/dbraw/zinc/00/75/08/270007508.db2.gz LUNIAHWMDDELBE-JTQLQIEISA-N 1 2 346.315 0.694 20 30 ECEDLO N#Cc1ncn(C2CC[NH+]([C@H]3CCN(CC(F)(F)F)C3=O)CC2)n1 ZINC000375917558 270007739 /nfs/dbraw/zinc/00/77/39/270007739.db2.gz BTSFROSNJJQLHT-NSHDSACASA-N 1 2 342.325 0.950 20 30 ECEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccc(C#N)nc3)C2)CC1 ZINC000528455360 270008147 /nfs/dbraw/zinc/00/81/47/270008147.db2.gz FYOVROZCWNILKK-QGZVFWFLSA-N 1 2 327.432 0.734 20 30 ECEDLO CC[N@H+](CCOCCO)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000319405845 266127260 /nfs/dbraw/zinc/12/72/60/266127260.db2.gz GGRMURYKSJVHLI-UHFFFAOYSA-N 1 2 326.418 0.663 20 30 ECEDLO CC[N@@H+](CCOCCO)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000319405845 266127264 /nfs/dbraw/zinc/12/72/64/266127264.db2.gz GGRMURYKSJVHLI-UHFFFAOYSA-N 1 2 326.418 0.663 20 30 ECEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)C[C@H]21 ZINC000285261209 266595776 /nfs/dbraw/zinc/59/57/76/266595776.db2.gz OEHOSZSTCYYSPM-CABCVRRESA-N 1 2 328.372 0.428 20 30 ECEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)C[C@H]21 ZINC000285261209 266595778 /nfs/dbraw/zinc/59/57/78/266595778.db2.gz OEHOSZSTCYYSPM-CABCVRRESA-N 1 2 328.372 0.428 20 30 ECEDLO C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)[C@H](C)[NH+]1CCOCC1 ZINC000290340860 267171417 /nfs/dbraw/zinc/17/14/17/267171417.db2.gz XPMSZNUVUIDTAR-RYUDHWBXSA-N 1 2 348.378 0.861 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cccc(C#N)n1 ZINC000529749497 267330441 /nfs/dbraw/zinc/33/04/41/267330441.db2.gz ABZXEWXQNVEPKW-KRWDZBQOSA-N 1 2 330.388 0.299 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cccc(C#N)n1 ZINC000529749497 267330444 /nfs/dbraw/zinc/33/04/44/267330444.db2.gz ABZXEWXQNVEPKW-KRWDZBQOSA-N 1 2 330.388 0.299 20 30 ECEDLO Cc1nc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCCOC2)ccc1C#N ZINC000371992775 267580692 /nfs/dbraw/zinc/58/06/92/267580692.db2.gz RAJUQUATKOXWEI-SFHVURJKSA-N 1 2 344.415 0.873 20 30 ECEDLO Cn1ncc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c1C#N ZINC000354381190 267845037 /nfs/dbraw/zinc/84/50/37/267845037.db2.gz IGFBWALZYNLMHE-UHFFFAOYSA-N 1 2 326.360 0.453 20 30 ECEDLO N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(c2cccc[nH+]2)CC1 ZINC000301158480 268017969 /nfs/dbraw/zinc/01/79/69/268017969.db2.gz BFFVNMKYELANOB-UHFFFAOYSA-N 1 2 343.412 0.927 20 30 ECEDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1cnccc1C#N)C2 ZINC000514867423 268079399 /nfs/dbraw/zinc/07/93/99/268079399.db2.gz NFIBCOFLOOGUBM-ZDUSSCGKSA-N 1 2 325.372 0.738 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](CC(N)=O)C2)nc1 ZINC000290269211 268187688 /nfs/dbraw/zinc/18/76/88/268187688.db2.gz LHHDXSHFXVAJKZ-LBPRGKRZSA-N 1 2 336.417 0.314 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](CC(N)=O)C2)nc1 ZINC000290269211 268187690 /nfs/dbraw/zinc/18/76/90/268187690.db2.gz LHHDXSHFXVAJKZ-LBPRGKRZSA-N 1 2 336.417 0.314 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@]3(CNC(=O)C3)C2)nc1 ZINC000343842490 268188053 /nfs/dbraw/zinc/18/80/53/268188053.db2.gz STGQVTJTDKWLMZ-INIZCTEOSA-N 1 2 348.428 0.329 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@]3(CNC(=O)C3)C2)nc1 ZINC000343842490 268188054 /nfs/dbraw/zinc/18/80/54/268188054.db2.gz STGQVTJTDKWLMZ-INIZCTEOSA-N 1 2 348.428 0.329 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)cc1 ZINC000377670304 268188762 /nfs/dbraw/zinc/18/87/62/268188762.db2.gz IRKPWDKTINYUQR-HIFRSBDPSA-N 1 2 333.413 0.400 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)cc1 ZINC000377670304 268188764 /nfs/dbraw/zinc/18/87/64/268188764.db2.gz IRKPWDKTINYUQR-HIFRSBDPSA-N 1 2 333.413 0.400 20 30 ECEDLO N#Cc1cccc(N2CC[NH+](CC(=O)NC[C@@H]3CCCO3)CC2)n1 ZINC000355121698 268261772 /nfs/dbraw/zinc/26/17/72/268261772.db2.gz GYEYITBTILADLL-HNNXBMFYSA-N 1 2 329.404 0.370 20 30 ECEDLO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000528336819 268296753 /nfs/dbraw/zinc/29/67/53/268296753.db2.gz HGEJGYIGYMNBRL-INIZCTEOSA-N 1 2 329.400 0.852 20 30 ECEDLO N#Cc1ncccc1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000373012923 268328942 /nfs/dbraw/zinc/32/89/42/268328942.db2.gz JJVZVPNZTSRCGH-KGLIPLIRSA-N 1 2 336.417 0.173 20 30 ECEDLO N#Cc1ncn(CCNC(=O)N2CC[NH+](Cc3ccco3)CC2)n1 ZINC000286669510 268335942 /nfs/dbraw/zinc/33/59/42/268335942.db2.gz BKIFAAGTTZWONA-UHFFFAOYSA-N 1 2 329.364 0.270 20 30 ECEDLO COc1ccc(C[NH+]2CCN(c3nccn(C)c3=O)CC2)cc1C#N ZINC000340194276 437595127 /nfs/dbraw/zinc/59/51/27/437595127.db2.gz MOXHTGBBPVMOQT-UHFFFAOYSA-N 1 2 339.399 0.983 20 30 ECEDLO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000360400305 437595472 /nfs/dbraw/zinc/59/54/72/437595472.db2.gz OSBGKIPRDPUIJU-RHSMWYFYSA-N 1 2 331.416 0.813 20 30 ECEDLO Cc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)c1C#N ZINC000189397906 437596431 /nfs/dbraw/zinc/59/64/31/437596431.db2.gz MDJTWCSPPZCTRQ-ZDUSSCGKSA-N 1 2 330.388 0.330 20 30 ECEDLO CN(C)C(=O)Cc1ccc(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)cc1 ZINC000330717507 437598143 /nfs/dbraw/zinc/59/81/43/437598143.db2.gz UWEZFVMCEXMAPJ-INIZCTEOSA-N 1 2 347.463 0.889 20 30 ECEDLO CN(C)C(=O)Cc1ccc(NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)cc1 ZINC000330717507 437598150 /nfs/dbraw/zinc/59/81/50/437598150.db2.gz UWEZFVMCEXMAPJ-INIZCTEOSA-N 1 2 347.463 0.889 20 30 ECEDLO CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000329696597 288104643 /nfs/dbraw/zinc/10/46/43/288104643.db2.gz DQOXGGPAKYJBMD-KBPBESRZSA-N 1 2 347.481 0.114 20 30 ECEDLO CC[C@](C)(CO)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330739087 437604227 /nfs/dbraw/zinc/60/42/27/437604227.db2.gz PMKUQEXKFBHUSU-QGZVFWFLSA-N 1 2 349.435 0.765 20 30 ECEDLO CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000330774841 437612407 /nfs/dbraw/zinc/61/24/07/437612407.db2.gz RNBUCFDFXXMKCM-VIFPVBQESA-N 1 2 325.394 0.596 20 30 ECEDLO CNC(=O)NC(=O)CC[N@H+]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000330774841 437612410 /nfs/dbraw/zinc/61/24/10/437612410.db2.gz RNBUCFDFXXMKCM-VIFPVBQESA-N 1 2 325.394 0.596 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330783849 437614103 /nfs/dbraw/zinc/61/41/03/437614103.db2.gz JABFFINACWLCQD-RHSMWYFYSA-N 1 2 332.452 0.970 20 30 ECEDLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000452104623 300262703 /nfs/dbraw/zinc/26/27/03/300262703.db2.gz MDTFLEITFXIALQ-NSHDSACASA-N 1 2 327.381 0.384 20 30 ECEDLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000452104623 300262707 /nfs/dbraw/zinc/26/27/07/300262707.db2.gz MDTFLEITFXIALQ-NSHDSACASA-N 1 2 327.381 0.384 20 30 ECEDLO C#CC[NH+](CC#C)CC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000072906349 436059894 /nfs/dbraw/zinc/05/98/94/436059894.db2.gz RIMDCRYCMVQPCX-UHFFFAOYSA-N 1 2 337.423 0.976 20 30 ECEDLO C#CC[NH+](CC#C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000072906885 436060523 /nfs/dbraw/zinc/06/05/23/436060523.db2.gz HWMUQJABVVWCNN-UHFFFAOYSA-N 1 2 340.383 0.812 20 30 ECEDLO COCCCNC(=O)C[N@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000072981305 436062005 /nfs/dbraw/zinc/06/20/05/436062005.db2.gz IWOKKPDARNCGHC-XJKSGUPXSA-N 1 2 326.441 0.514 20 30 ECEDLO COCCCNC(=O)C[N@@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000072981305 436062011 /nfs/dbraw/zinc/06/20/11/436062011.db2.gz IWOKKPDARNCGHC-XJKSGUPXSA-N 1 2 326.441 0.514 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccncc2Cl)CC1 ZINC000073079343 436067619 /nfs/dbraw/zinc/06/76/19/436067619.db2.gz NQFWZDMJWCTOHL-UHFFFAOYSA-N 1 2 334.807 0.632 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccncc2Cl)CC1 ZINC000073079343 436067626 /nfs/dbraw/zinc/06/76/26/436067626.db2.gz NQFWZDMJWCTOHL-UHFFFAOYSA-N 1 2 334.807 0.632 20 30 ECEDLO C#CC[NH+]1CCN(c2ncnc3c2c(Br)nn3C)CC1 ZINC000076267716 436197288 /nfs/dbraw/zinc/19/72/88/436197288.db2.gz IQXYPMKVVYRPSQ-UHFFFAOYSA-N 1 2 335.209 0.881 20 30 ECEDLO CCNC(=O)C[NH+]1CCN(CC(=O)Nc2sccc2C#N)CC1 ZINC000029668669 436205152 /nfs/dbraw/zinc/20/51/52/436205152.db2.gz TVJYHOWZQKGDBH-UHFFFAOYSA-N 1 2 335.433 0.312 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)CC(=O)NCc1cccs1 ZINC000078686563 436275220 /nfs/dbraw/zinc/27/52/20/436275220.db2.gz YPQLXGNXXYHCBB-UHFFFAOYSA-N 1 2 336.461 0.912 20 30 ECEDLO C#CC[NH+]1CCN(CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000044756553 436347961 /nfs/dbraw/zinc/34/79/61/436347961.db2.gz XGRCYSUKFSEJOC-UHFFFAOYSA-N 1 2 340.383 0.186 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)N1CC[NH+](Cc2ccccn2)CC1 ZINC000043689764 436334355 /nfs/dbraw/zinc/33/43/55/436334355.db2.gz PLTCUHBNRIXNMP-AWEZNQCLSA-N 1 2 331.420 0.600 20 30 ECEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(CS(N)(=O)=O)CC2)cc1 ZINC000089992432 436425055 /nfs/dbraw/zinc/42/50/55/436425055.db2.gz FUQKSARPGXMJIY-AWEZNQCLSA-N 1 2 336.417 0.085 20 30 ECEDLO CCNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000092842671 436475899 /nfs/dbraw/zinc/47/58/99/436475899.db2.gz JKSNADXQMGIRGZ-STQMWFEESA-N 1 2 330.454 0.008 20 30 ECEDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000092842671 436475902 /nfs/dbraw/zinc/47/59/02/436475902.db2.gz JKSNADXQMGIRGZ-STQMWFEESA-N 1 2 330.454 0.008 20 30 ECEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCO[C@H](C(N)=O)C1)CCC2 ZINC000051105932 436482879 /nfs/dbraw/zinc/48/28/79/436482879.db2.gz LAJFQPWNICOBNC-LBPRGKRZSA-N 1 2 348.428 0.623 20 30 ECEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCO[C@H](C(N)=O)C1)CCC2 ZINC000051105932 436482881 /nfs/dbraw/zinc/48/28/81/436482881.db2.gz LAJFQPWNICOBNC-LBPRGKRZSA-N 1 2 348.428 0.623 20 30 ECEDLO C=C(C)CN(CC)C(=O)CN1CCC[N@H+](CC(=O)NC(C)C)CC1 ZINC000051707188 436494089 /nfs/dbraw/zinc/49/40/89/436494089.db2.gz WXVCFNHADRBEBL-UHFFFAOYSA-N 1 2 338.496 0.943 20 30 ECEDLO C=C(C)CN(CC)C(=O)CN1CCC[N@@H+](CC(=O)NC(C)C)CC1 ZINC000051707188 436494093 /nfs/dbraw/zinc/49/40/93/436494093.db2.gz WXVCFNHADRBEBL-UHFFFAOYSA-N 1 2 338.496 0.943 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000109814306 436627291 /nfs/dbraw/zinc/62/72/91/436627291.db2.gz ARYODFJGTZMRDE-CQSZACIVSA-N 1 2 330.388 0.736 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000109814306 436627293 /nfs/dbraw/zinc/62/72/93/436627293.db2.gz ARYODFJGTZMRDE-CQSZACIVSA-N 1 2 330.388 0.736 20 30 ECEDLO NC(CN1CCOCC1)=[NH+]OCC(=O)Nc1ccc(F)cc1F ZINC000111181739 436629073 /nfs/dbraw/zinc/62/90/73/436629073.db2.gz HPQRUTCQCOTRRU-UHFFFAOYSA-N 1 2 328.319 0.524 20 30 ECEDLO N#Cc1ccc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cn1 ZINC000115367868 436646327 /nfs/dbraw/zinc/64/63/27/436646327.db2.gz TYJFZZBRNSMPHZ-UHFFFAOYSA-N 1 2 326.360 0.734 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@H](C)c3ccon3)CC2)o1 ZINC000543578180 302215644 /nfs/dbraw/zinc/21/56/44/302215644.db2.gz YAUSQFAFMFQNCV-LLVKDONJSA-N 1 2 344.375 0.842 20 30 ECEDLO COC(=O)C1(O)CC[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000271477780 436690535 /nfs/dbraw/zinc/69/05/35/436690535.db2.gz VIXMWDOJOOZOFQ-GFCCVEGCSA-N 1 2 331.372 0.885 20 30 ECEDLO C=C(C)CN(CC)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000271746979 436694405 /nfs/dbraw/zinc/69/44/05/436694405.db2.gz XPTLPODIFIUGIM-UHFFFAOYSA-N 1 2 349.435 0.578 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC000270264378 436673095 /nfs/dbraw/zinc/67/30/95/436673095.db2.gz UXNCUCKDFCUZHW-AWEZNQCLSA-N 1 2 331.420 0.589 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000143376250 436674381 /nfs/dbraw/zinc/67/43/81/436674381.db2.gz LFTSYTRYUAYXOE-HNNXBMFYSA-N 1 2 344.481 0.397 20 30 ECEDLO C=CCOc1ccc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)cc1OC ZINC000271224857 436678616 /nfs/dbraw/zinc/67/86/16/436678616.db2.gz AECDZJBVXAPKLM-AWEZNQCLSA-N 1 2 345.399 0.403 20 30 ECEDLO C=CCOc1ccc(C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)cc1OC ZINC000271224857 436678620 /nfs/dbraw/zinc/67/86/20/436678620.db2.gz AECDZJBVXAPKLM-AWEZNQCLSA-N 1 2 345.399 0.403 20 30 ECEDLO CC(=O)N1CCC[C@@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000195166665 436681222 /nfs/dbraw/zinc/68/12/22/436681222.db2.gz LONRLBAODDABJD-MRXNPFEDSA-N 1 2 336.436 0.319 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000068554864 436749102 /nfs/dbraw/zinc/74/91/02/436749102.db2.gz HZTJMLGLYSSUGU-GFCCVEGCSA-N 1 2 340.449 0.038 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000068554864 436749105 /nfs/dbraw/zinc/74/91/05/436749105.db2.gz HZTJMLGLYSSUGU-GFCCVEGCSA-N 1 2 340.449 0.038 20 30 ECEDLO COC(=O)CNC(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000121512941 436718376 /nfs/dbraw/zinc/71/83/76/436718376.db2.gz PIFZPYLWHRGHKP-GOEBONIOSA-N 1 2 344.415 0.547 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCCC[C@@H]2C(=O)OC(C)(C)C)CC1 ZINC000121594990 436718662 /nfs/dbraw/zinc/71/86/62/436718662.db2.gz UAANFFGPOZPAQQ-MRXNPFEDSA-N 1 2 349.475 0.960 20 30 ECEDLO CCn1nccc1/C=C/C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000126163371 436784214 /nfs/dbraw/zinc/78/42/14/436784214.db2.gz NYSUNJYFFUEOPR-SNAWJCMRSA-N 1 2 331.420 0.991 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(C(=O)Cc2ccccc2C)CC1 ZINC000155127556 436789752 /nfs/dbraw/zinc/78/97/52/436789752.db2.gz PYFYQAWDWDMCPH-INIZCTEOSA-N 1 2 327.428 0.820 20 30 ECEDLO CS(=O)(=O)N[C@H]1CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000247257376 436792374 /nfs/dbraw/zinc/79/23/74/436792374.db2.gz YDALYWVLGFBCOG-ZFWWWQNUSA-N 1 2 348.428 0.287 20 30 ECEDLO CS(=O)(=O)N[C@H]1CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000247257376 436792375 /nfs/dbraw/zinc/79/23/75/436792375.db2.gz YDALYWVLGFBCOG-ZFWWWQNUSA-N 1 2 348.428 0.287 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155293721 436792680 /nfs/dbraw/zinc/79/26/80/436792680.db2.gz XPXWYJCKJYPRPM-UHFFFAOYSA-N 1 2 333.314 0.883 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155293721 436792681 /nfs/dbraw/zinc/79/26/81/436792681.db2.gz XPXWYJCKJYPRPM-UHFFFAOYSA-N 1 2 333.314 0.883 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCO[C@H](c3cccc(O)c3)C2)CC1 ZINC000127000716 436796404 /nfs/dbraw/zinc/79/64/04/436796404.db2.gz YIENJONTIXVRPT-SFHVURJKSA-N 1 2 343.427 0.543 20 30 ECEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000274613397 436851106 /nfs/dbraw/zinc/85/11/06/436851106.db2.gz PGPZXJKDRVDEJP-RRFJBIMHSA-N 1 2 347.415 0.758 20 30 ECEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000274613397 436851108 /nfs/dbraw/zinc/85/11/08/436851108.db2.gz PGPZXJKDRVDEJP-RRFJBIMHSA-N 1 2 347.415 0.758 20 30 ECEDLO Cc1c(/C=C\C(=O)N(CCC#N)CC[NH+]2CCOCC2)cnn1C ZINC000255549249 436854687 /nfs/dbraw/zinc/85/46/87/436854687.db2.gz MWAVBUXSPOJTKU-PLNGDYQASA-N 1 2 331.420 0.816 20 30 ECEDLO N#Cc1ccc(OC2CN(C(=O)NCC[NH+]3CCOCC3)C2)cc1 ZINC000157335396 436826604 /nfs/dbraw/zinc/82/66/04/436826604.db2.gz HBUQSXCTYBQWFQ-UHFFFAOYSA-N 1 2 330.388 0.663 20 30 ECEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000249838961 436827339 /nfs/dbraw/zinc/82/73/39/436827339.db2.gz UOWURMRDKUTUJC-WFASDCNBSA-N 1 2 335.429 0.854 20 30 ECEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000249838961 436827342 /nfs/dbraw/zinc/82/73/42/436827342.db2.gz UOWURMRDKUTUJC-WFASDCNBSA-N 1 2 335.429 0.854 20 30 ECEDLO C=CCOc1cc(OC)ccc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000129746060 436829394 /nfs/dbraw/zinc/82/93/94/436829394.db2.gz FBBJRTUCMOLATF-CQSZACIVSA-N 1 2 331.416 0.990 20 30 ECEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3sccc3C#N)C[C@H]21 ZINC000293872423 436915096 /nfs/dbraw/zinc/91/50/96/436915096.db2.gz ZRNPQBKOTPHOTE-NEPJUHHUSA-N 1 2 334.401 0.490 20 30 ECEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3sccc3C#N)C[C@H]21 ZINC000293872423 436915100 /nfs/dbraw/zinc/91/51/00/436915100.db2.gz ZRNPQBKOTPHOTE-NEPJUHHUSA-N 1 2 334.401 0.490 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000280285709 436877438 /nfs/dbraw/zinc/87/74/38/436877438.db2.gz ZDZWWUNPYSKREH-HUUCEWRRSA-N 1 2 332.452 0.717 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000280285709 436877443 /nfs/dbraw/zinc/87/74/43/436877443.db2.gz ZDZWWUNPYSKREH-HUUCEWRRSA-N 1 2 332.452 0.717 20 30 ECEDLO C#CCOc1ccccc1NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000274827115 436880068 /nfs/dbraw/zinc/88/00/68/436880068.db2.gz GIOXTPOOUPOBRB-HNNXBMFYSA-N 1 2 347.415 0.855 20 30 ECEDLO C=CCC(F)(F)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000293741410 436905120 /nfs/dbraw/zinc/90/51/20/436905120.db2.gz PGQDDQAFOKAHLD-GFCCVEGCSA-N 1 2 331.363 0.247 20 30 ECEDLO C=C(C)COCCNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000135001575 436909066 /nfs/dbraw/zinc/90/90/66/436909066.db2.gz BQCXLBRLQKDLSY-UHFFFAOYSA-N 1 2 338.452 0.529 20 30 ECEDLO C=CCOc1ccc(CC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000294940021 436961824 /nfs/dbraw/zinc/96/18/24/436961824.db2.gz LXVNZQVPWVYPTK-KRWDZBQOSA-N 1 2 348.443 0.945 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC000165227548 436935629 /nfs/dbraw/zinc/93/56/29/436935629.db2.gz GGONQHJPBBOKRJ-HNNXBMFYSA-N 1 2 343.431 0.990 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC000165227548 436935631 /nfs/dbraw/zinc/93/56/31/436935631.db2.gz GGONQHJPBBOKRJ-HNNXBMFYSA-N 1 2 343.431 0.990 20 30 ECEDLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000170660619 436949205 /nfs/dbraw/zinc/94/92/05/436949205.db2.gz JMUMKEPESSGLON-AWEZNQCLSA-N 1 2 338.433 0.588 20 30 ECEDLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000170660619 436949207 /nfs/dbraw/zinc/94/92/07/436949207.db2.gz JMUMKEPESSGLON-AWEZNQCLSA-N 1 2 338.433 0.588 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NC(=O)NCc2ccccc2)C1=O ZINC000281222157 436955534 /nfs/dbraw/zinc/95/55/34/436955534.db2.gz DVDBXMGEVRTPQK-OAHLLOKOSA-N 1 2 344.415 0.731 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NC(=O)NCc2ccccc2)C1=O ZINC000281222157 436955539 /nfs/dbraw/zinc/95/55/39/436955539.db2.gz DVDBXMGEVRTPQK-OAHLLOKOSA-N 1 2 344.415 0.731 20 30 ECEDLO C=CCN(C)C(=O)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000298138058 437029710 /nfs/dbraw/zinc/02/97/10/437029710.db2.gz QQOHUPGSQJXNFR-UHFFFAOYSA-N 1 2 331.416 0.984 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)C1=O ZINC000281921497 437006389 /nfs/dbraw/zinc/00/63/89/437006389.db2.gz HGUVMKRXIFHWOK-CQSZACIVSA-N 1 2 330.388 0.332 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)C1=O ZINC000282018084 437010480 /nfs/dbraw/zinc/01/04/80/437010480.db2.gz PAKUNIPSGOITNE-DZGCQCFKSA-N 1 2 326.404 0.646 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)C1=O ZINC000282018084 437010482 /nfs/dbraw/zinc/01/04/82/437010482.db2.gz PAKUNIPSGOITNE-DZGCQCFKSA-N 1 2 326.404 0.646 20 30 ECEDLO C=CCn1c(C(=O)NC(C)C)nnc1N(C)CC[NH+]1CCOCC1 ZINC000282288233 437011733 /nfs/dbraw/zinc/01/17/33/437011733.db2.gz NOTRZXAYFONQPT-UHFFFAOYSA-N 1 2 336.440 0.371 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)OCC)C1 ZINC000298587855 437042738 /nfs/dbraw/zinc/04/27/38/437042738.db2.gz XPRCFMNDKJRTBC-VXGBXAGGSA-N 1 2 326.397 0.597 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)OCC)C1 ZINC000298587855 437042741 /nfs/dbraw/zinc/04/27/41/437042741.db2.gz XPRCFMNDKJRTBC-VXGBXAGGSA-N 1 2 326.397 0.597 20 30 ECEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)[C@H](C)CC#N ZINC000276098522 437056564 /nfs/dbraw/zinc/05/65/64/437056564.db2.gz ZJGSFDCHEIAUQJ-GFCCVEGCSA-N 1 2 345.403 0.926 20 30 ECEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000299049721 437057992 /nfs/dbraw/zinc/05/79/92/437057992.db2.gz OXGNBYJKJUFIQX-ZDUSSCGKSA-N 1 2 346.412 0.874 20 30 ECEDLO NC(CN1CCOCC1)=[NH+]OCCCOc1ccc2c(c1)OCO2 ZINC000264677058 437062014 /nfs/dbraw/zinc/06/20/14/437062014.db2.gz BBKKNGSIVRZYCH-UHFFFAOYSA-N 1 2 337.376 0.805 20 30 ECEDLO C=CCCOCCNC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000284788328 437074797 /nfs/dbraw/zinc/07/47/97/437074797.db2.gz FZLIPUUXZPTMOE-UHFFFAOYSA-N 1 2 343.387 0.592 20 30 ECEDLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000264738036 437075966 /nfs/dbraw/zinc/07/59/66/437075966.db2.gz JNISKTQYWXNVQV-GFCCVEGCSA-N 1 2 326.397 0.221 20 30 ECEDLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000264738036 437075971 /nfs/dbraw/zinc/07/59/71/437075971.db2.gz JNISKTQYWXNVQV-GFCCVEGCSA-N 1 2 326.397 0.221 20 30 ECEDLO Cc1nc(CC(N)=[NH+]O[C@H]2CCN(c3cnn(C)c3)C2=O)cs1 ZINC000174114415 437076033 /nfs/dbraw/zinc/07/60/33/437076033.db2.gz HJBPEQZKOCAHEE-LBPRGKRZSA-N 1 2 334.405 0.822 20 30 ECEDLO N#CC1(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCOCC1 ZINC000376742052 303141039 /nfs/dbraw/zinc/14/10/39/303141039.db2.gz LMZLKOGTDBNOBJ-INIZCTEOSA-N 1 2 339.461 0.631 20 30 ECEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1)C1CC1 ZINC000331783563 437159785 /nfs/dbraw/zinc/15/97/85/437159785.db2.gz BCNFERMAIIIDPS-SWLSCSKDSA-N 1 2 342.465 0.056 20 30 ECEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1)C1CC1 ZINC000331783563 437159790 /nfs/dbraw/zinc/15/97/90/437159790.db2.gz BCNFERMAIIIDPS-SWLSCSKDSA-N 1 2 342.465 0.056 20 30 ECEDLO C[NH+](C)C1(C#N)CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)CC1 ZINC000331807259 437161620 /nfs/dbraw/zinc/16/16/20/437161620.db2.gz RUXKFRXVGKEMTA-KFWWJZLASA-N 1 2 348.447 0.507 20 30 ECEDLO N#Cc1cc(Br)ccc1CN1CC[NH+](CC(N)=O)CC1 ZINC000287485767 437195733 /nfs/dbraw/zinc/19/57/33/437195733.db2.gz XJIJRGZLHOSWMP-UHFFFAOYSA-N 1 2 337.221 0.924 20 30 ECEDLO CN(CCC#N)S(=O)(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000332165958 437206817 /nfs/dbraw/zinc/20/68/17/437206817.db2.gz SCPHTSYMZOHXGR-AWEZNQCLSA-N 1 2 330.454 0.119 20 30 ECEDLO CN(CCC#N)S(=O)(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000332165958 437206823 /nfs/dbraw/zinc/20/68/23/437206823.db2.gz SCPHTSYMZOHXGR-AWEZNQCLSA-N 1 2 330.454 0.119 20 30 ECEDLO C#CCNC(=O)[C@@H](C)ON=C(N)c1cccc(C[NH+]2CCOCC2)c1 ZINC000178155679 437208395 /nfs/dbraw/zinc/20/83/95/437208395.db2.gz MCJRYMFOKSEBPB-CQSZACIVSA-N 1 2 344.415 0.294 20 30 ECEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000178417823 437214777 /nfs/dbraw/zinc/21/47/77/437214777.db2.gz CMXBGHUDZOAYOV-GFCCVEGCSA-N 1 2 330.388 0.642 20 30 ECEDLO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccc(C#N)c(O)c3)CC2)C1=O ZINC000332412611 437221674 /nfs/dbraw/zinc/22/16/74/437221674.db2.gz SBYZGTNJFFKHKJ-OAHLLOKOSA-N 1 2 342.399 0.689 20 30 ECEDLO CCc1nc2n(n1)C[C@H](NC(=O)N1CCC(C#N)([NH+](C)C)CC1)CC2 ZINC000332605436 437235873 /nfs/dbraw/zinc/23/58/73/437235873.db2.gz DRFNVBFOKOZJLM-CYBMUJFWSA-N 1 2 345.451 0.785 20 30 ECEDLO N#CC1(CS(=O)(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCCC1 ZINC000333065910 437259039 /nfs/dbraw/zinc/25/90/39/437259039.db2.gz JEJULRZPDMWKGD-OKILXGFUSA-N 1 2 327.450 0.853 20 30 ECEDLO N#CC1(CS(=O)(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCCC1 ZINC000333065910 437259043 /nfs/dbraw/zinc/25/90/43/437259043.db2.gz JEJULRZPDMWKGD-OKILXGFUSA-N 1 2 327.450 0.853 20 30 ECEDLO CCOC(=O)CON=C(C(=O)NCCn1cc[nH+]c1C)c1ccn[nH]1 ZINC000277893169 437261149 /nfs/dbraw/zinc/26/11/49/437261149.db2.gz CICKKELMKWSOOF-XSFVSMFZSA-N 1 2 348.363 0.015 20 30 ECEDLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCCC(=O)N1 ZINC000328789190 437262666 /nfs/dbraw/zinc/26/26/66/437262666.db2.gz PUPSYRVNVNKTRK-QWHCGFSZSA-N 1 2 338.408 0.385 20 30 ECEDLO COCCN(CCC#N)S(=O)(=O)NCc1[nH+]ccn1CC(C)C ZINC000336947657 437316903 /nfs/dbraw/zinc/31/69/03/437316903.db2.gz PPQNUXWVNAGXBK-UHFFFAOYSA-N 1 2 343.453 0.736 20 30 ECEDLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@@H]1CCO[C@H]1C1CC1 ZINC000328833672 437271423 /nfs/dbraw/zinc/27/14/23/437271423.db2.gz LIKWWZMPPBHVOQ-ZBFHGGJFSA-N 1 2 349.435 1.109 20 30 ECEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCc3ccnc(C)n3)C2)CC1 ZINC000329133699 437321888 /nfs/dbraw/zinc/32/18/88/437321888.db2.gz BIOGWDXQUWJEAS-MRXNPFEDSA-N 1 2 332.452 0.911 20 30 ECEDLO C#CCOc1ccc(C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)cc1 ZINC000267020973 437279959 /nfs/dbraw/zinc/27/99/59/437279959.db2.gz CMKVHFKMAKZTIT-UHFFFAOYSA-N 1 2 329.400 0.720 20 30 ECEDLO CNC(=O)[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CCO1 ZINC000329248108 437340640 /nfs/dbraw/zinc/34/06/40/437340640.db2.gz AEXDPXDUYFBKPK-KGLIPLIRSA-N 1 2 325.409 0.444 20 30 ECEDLO CNC(=O)[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CCO1 ZINC000329248108 437340645 /nfs/dbraw/zinc/34/06/45/437340645.db2.gz AEXDPXDUYFBKPK-KGLIPLIRSA-N 1 2 325.409 0.444 20 30 ECEDLO CN1C(=O)N[C@]2(CCN(C(=O)NCc3ccn4cc[nH+]c4c3)C2)C1=O ZINC000329271218 437344271 /nfs/dbraw/zinc/34/42/71/437344271.db2.gz HWRNSSMGZCYIFQ-INIZCTEOSA-N 1 2 342.359 0.579 20 30 ECEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccn(CCC#N)n1 ZINC000329504544 437376542 /nfs/dbraw/zinc/37/65/42/437376542.db2.gz ZFRDMHKOAZTGMH-KBPBESRZSA-N 1 2 332.408 1.124 20 30 ECEDLO CNC(=O)[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CCO1 ZINC000182477530 437351232 /nfs/dbraw/zinc/35/12/32/437351232.db2.gz YWBOYWAFBIYINT-MRXNPFEDSA-N 1 2 339.399 0.906 20 30 ECEDLO CNC(=O)[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CCO1 ZINC000182477530 437351234 /nfs/dbraw/zinc/35/12/34/437351234.db2.gz YWBOYWAFBIYINT-MRXNPFEDSA-N 1 2 339.399 0.906 20 30 ECEDLO Cn1cc([C@H]2[C@H](C(=O)NC[C@@H]3C[N@H+](C)CCO3)CCC(=O)N2C)cn1 ZINC000329330524 437353788 /nfs/dbraw/zinc/35/37/88/437353788.db2.gz ZDBGQKZZDABLNJ-FMKPAKJESA-N 1 2 349.435 0.617 20 30 ECEDLO Cn1cc([C@H]2[C@H](C(=O)NC[C@@H]3C[N@@H+](C)CCO3)CCC(=O)N2C)cn1 ZINC000329330524 437353792 /nfs/dbraw/zinc/35/37/92/437353792.db2.gz ZDBGQKZZDABLNJ-FMKPAKJESA-N 1 2 349.435 0.617 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)C[C@@H]1C ZINC000288460981 437324060 /nfs/dbraw/zinc/32/40/60/437324060.db2.gz VYJLCFJZCHCABM-UONOGXRCSA-N 1 2 337.445 0.775 20 30 ECEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(c3ccc(F)cn3)CC2)C1 ZINC000329145137 437325000 /nfs/dbraw/zinc/32/50/00/437325000.db2.gz ABJWJCWCSXEQJL-CQSZACIVSA-N 1 2 337.399 0.587 20 30 ECEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CCN(c3ccc(F)cn3)CC2)C1 ZINC000329145137 437325004 /nfs/dbraw/zinc/32/50/04/437325004.db2.gz ABJWJCWCSXEQJL-CQSZACIVSA-N 1 2 337.399 0.587 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000337093731 437331377 /nfs/dbraw/zinc/33/13/77/437331377.db2.gz NXGCQHOJYWLZMG-MGPQQGTHSA-N 1 2 332.470 0.412 20 30 ECEDLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(CC(=O)NCC2CC2)CC1 ZINC000329203477 437333001 /nfs/dbraw/zinc/33/30/01/437333001.db2.gz CQPMQXUVGXNMPX-AWEZNQCLSA-N 1 2 338.452 0.218 20 30 ECEDLO COc1ccc(C(N)=[NH+]OC[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000278678227 437333190 /nfs/dbraw/zinc/33/31/90/437333190.db2.gz OVAWVPJJOQTNGD-SNVBAGLBSA-N 1 2 328.390 0.775 20 30 ECEDLO Cc1noc([C@@H]2CCN(C(=O)NCC3([NH+]4CCOCC4)CC3)C2)n1 ZINC000329208412 437334370 /nfs/dbraw/zinc/33/43/70/437334370.db2.gz XXTFCLDDLLWYOF-CYBMUJFWSA-N 1 2 335.408 0.946 20 30 ECEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCO[C@]2(CCCOC2)C1 ZINC000329228286 437337664 /nfs/dbraw/zinc/33/76/64/437337664.db2.gz INNGKWVARWCJJA-NVXWUHKLSA-N 1 2 340.468 0.418 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc([C@@H]3CCCO3)n2CC)CC1 ZINC000338601342 437413744 /nfs/dbraw/zinc/41/37/44/437413744.db2.gz JJIGVUVWXPFHGC-AWEZNQCLSA-N 1 2 348.451 0.574 20 30 ECEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCO[C@]2(CCOC2)C1 ZINC000329887829 437426029 /nfs/dbraw/zinc/42/60/29/437426029.db2.gz XYMYAFCANGPRCA-GDBMZVCRSA-N 1 2 326.441 0.028 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(-c3ccccc3)n2C)CC1 ZINC000337879823 437382678 /nfs/dbraw/zinc/38/26/78/437382678.db2.gz QXCFABZZOHVBHU-UHFFFAOYSA-N 1 2 340.431 0.906 20 30 ECEDLO O=C(NC[C@@H]1CCCCS1(=O)=O)N1CC[NH+](CC2CC2)CC1 ZINC000329586409 437387268 /nfs/dbraw/zinc/38/72/68/437387268.db2.gz WTTJXBZJVZMRGW-AWEZNQCLSA-N 1 2 329.466 0.895 20 30 ECEDLO CC(C)N1C[C@@H](NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)CC1=O ZINC000330264713 437475908 /nfs/dbraw/zinc/47/59/08/437475908.db2.gz YGDHBTODNDAJBS-HNNXBMFYSA-N 1 2 348.451 0.461 20 30 ECEDLO Cc1c([C@H]2OCC[C@@H]2NC(=O)NC[C@@H]2C[N@H+](C)CCO2)cnn1C ZINC000330340212 437486924 /nfs/dbraw/zinc/48/69/24/437486924.db2.gz XPUAGKCVVOJGAX-VHDGCEQUSA-N 1 2 337.424 0.393 20 30 ECEDLO Cc1c([C@H]2OCC[C@@H]2NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cnn1C ZINC000330340212 437486930 /nfs/dbraw/zinc/48/69/30/437486930.db2.gz XPUAGKCVVOJGAX-VHDGCEQUSA-N 1 2 337.424 0.393 20 30 ECEDLO COc1ccc(C(N)=[NH+]OCC(=O)N2CCC[C@H](NC(C)=O)C2)cc1 ZINC000268683174 437433341 /nfs/dbraw/zinc/43/33/41/437433341.db2.gz XMUMVVYLCJSACB-AWEZNQCLSA-N 1 2 348.403 0.459 20 30 ECEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(S(C)(=O)=O)nc3)C[C@H]21 ZINC000329936868 437434982 /nfs/dbraw/zinc/43/49/82/437434982.db2.gz LFGFOIDOWHLWIZ-NEPJUHHUSA-N 1 2 340.405 0.045 20 30 ECEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(S(C)(=O)=O)nc3)C[C@H]21 ZINC000329936868 437434984 /nfs/dbraw/zinc/43/49/84/437434984.db2.gz LFGFOIDOWHLWIZ-NEPJUHHUSA-N 1 2 340.405 0.045 20 30 ECEDLO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2CCCCS2(=O)=O)CC1 ZINC000330007342 437445100 /nfs/dbraw/zinc/44/51/00/437445100.db2.gz FTSQSTFFHDBGIB-ZIAGYGMSSA-N 1 2 331.482 0.936 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000330069037 437449973 /nfs/dbraw/zinc/44/99/73/437449973.db2.gz GVQUUGPSYFBWEL-HLLBOEOZSA-N 1 2 341.452 0.891 20 30 ECEDLO C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C[C@@]2(CCCOC2)O1 ZINC000330159617 437462097 /nfs/dbraw/zinc/46/20/97/437462097.db2.gz RBVLTEWBDBXEAW-IIAWOOMASA-N 1 2 327.425 0.501 20 30 ECEDLO C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C[C@@]2(CCCOC2)O1 ZINC000330159617 437462099 /nfs/dbraw/zinc/46/20/99/437462099.db2.gz RBVLTEWBDBXEAW-IIAWOOMASA-N 1 2 327.425 0.501 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000330369756 437493602 /nfs/dbraw/zinc/49/36/02/437493602.db2.gz CHAPKCANEAUYRL-ZDUSSCGKSA-N 1 2 332.470 0.413 20 30 ECEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000354059474 437518625 /nfs/dbraw/zinc/51/86/25/437518625.db2.gz SPQJJRIJTNTOME-CYBMUJFWSA-N 1 2 333.417 0.720 20 30 ECEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000354059474 437518626 /nfs/dbraw/zinc/51/86/26/437518626.db2.gz SPQJJRIJTNTOME-CYBMUJFWSA-N 1 2 333.417 0.720 20 30 ECEDLO CCCc1nc(=NC(=O)NC2CC[NH+](CC(=O)NC)CC2)s[nH]1 ZINC000330495166 437530958 /nfs/dbraw/zinc/53/09/58/437530958.db2.gz VWXJCNCUOOFGCH-UHFFFAOYSA-N 1 2 340.453 0.449 20 30 ECEDLO CCCNC(=O)C[NH+]1CCC(NC(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000188299461 437541285 /nfs/dbraw/zinc/54/12/85/437541285.db2.gz IUQIBABYXAYAAI-UHFFFAOYSA-N 1 2 344.415 0.984 20 30 ECEDLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000188280278 437541547 /nfs/dbraw/zinc/54/15/47/437541547.db2.gz PGRQWPNZLKMYHN-LLVKDONJSA-N 1 2 327.381 0.384 20 30 ECEDLO CN(CCC#N)S(=O)(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000330534201 437543349 /nfs/dbraw/zinc/54/33/49/437543349.db2.gz ONRRYCFHPLDHCE-ZDUSSCGKSA-N 1 2 341.437 0.568 20 30 ECEDLO Cc1ccc(S(N)(=O)=O)c(C(=O)NCC[N@H+]2CCOC[C@H]2C)c1 ZINC000330579498 437558269 /nfs/dbraw/zinc/55/82/69/437558269.db2.gz KCWWQOAMVTXBGJ-GFCCVEGCSA-N 1 2 341.433 0.668 20 30 ECEDLO Cc1ccc(S(N)(=O)=O)c(C(=O)NCC[N@@H+]2CCOC[C@H]2C)c1 ZINC000330579498 437558272 /nfs/dbraw/zinc/55/82/72/437558272.db2.gz KCWWQOAMVTXBGJ-GFCCVEGCSA-N 1 2 341.433 0.668 20 30 ECEDLO N#CCc1cccc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000343408022 437578079 /nfs/dbraw/zinc/57/80/79/437578079.db2.gz QLLHEPCEQYNOFA-UHFFFAOYSA-N 1 2 339.399 1.534 20 30 ECEDLO N#Cc1cc(F)ccc1S(=O)(=O)NCC[N@@H+]1CCCOCC1 ZINC000189088313 437583706 /nfs/dbraw/zinc/58/37/06/437583706.db2.gz YWYVSNDUFGANOU-UHFFFAOYSA-N 1 2 327.381 0.698 20 30 ECEDLO N#Cc1cc(F)ccc1S(=O)(=O)NCC[N@H+]1CCCOCC1 ZINC000189088313 437583711 /nfs/dbraw/zinc/58/37/11/437583711.db2.gz YWYVSNDUFGANOU-UHFFFAOYSA-N 1 2 327.381 0.698 20 30 ECEDLO N#CCC(=O)N1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000360986215 437651632 /nfs/dbraw/zinc/65/16/32/437651632.db2.gz RIYVLWFHPRQHBS-HNNXBMFYSA-N 1 2 334.420 0.072 20 30 ECEDLO N#CCC(=O)N1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000360986215 437651639 /nfs/dbraw/zinc/65/16/39/437651639.db2.gz RIYVLWFHPRQHBS-HNNXBMFYSA-N 1 2 334.420 0.072 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)COCCCCCC)CC1 ZINC000360961466 437652903 /nfs/dbraw/zinc/65/29/03/437652903.db2.gz UDJMRWYAOAATHZ-UHFFFAOYSA-N 1 2 337.464 0.867 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)COCCCCCC)CC1 ZINC000360961466 437652904 /nfs/dbraw/zinc/65/29/04/437652904.db2.gz UDJMRWYAOAATHZ-UHFFFAOYSA-N 1 2 337.464 0.867 20 30 ECEDLO CC[N@H+](CC(N)=O)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000191711729 437653733 /nfs/dbraw/zinc/65/37/33/437653733.db2.gz HSGRMJCVXCPKHY-ZDUSSCGKSA-N 1 2 349.460 0.264 20 30 ECEDLO CC[N@@H+](CC(N)=O)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000191711729 437653738 /nfs/dbraw/zinc/65/37/38/437653738.db2.gz HSGRMJCVXCPKHY-ZDUSSCGKSA-N 1 2 349.460 0.264 20 30 ECEDLO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000330951450 437655801 /nfs/dbraw/zinc/65/58/01/437655801.db2.gz DSWDZVUECHEFBO-IWSPIJDZSA-N 1 2 327.303 0.049 20 30 ECEDLO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000330951450 437655804 /nfs/dbraw/zinc/65/58/04/437655804.db2.gz DSWDZVUECHEFBO-IWSPIJDZSA-N 1 2 327.303 0.049 20 30 ECEDLO C[C@@H](NC(=O)N1CCOC[C@H]1C[C@H](C)O)[C@H](C)[NH+]1CCOCC1 ZINC000330961396 437656661 /nfs/dbraw/zinc/65/66/61/437656661.db2.gz AWESPKJAYMIMJB-LJISPDSOSA-N 1 2 329.441 0.481 20 30 ECEDLO CC(C)NC(=O)NC1(C(=O)N2CC[NH+](CCO)CC2)CCCCC1 ZINC000330957175 437658037 /nfs/dbraw/zinc/65/80/37/437658037.db2.gz CRFKXRYNKJXNQK-UHFFFAOYSA-N 1 2 340.468 0.738 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1c[nH+]cn1C ZINC000292125398 437660418 /nfs/dbraw/zinc/66/04/18/437660418.db2.gz XDQNQCYMPRIOPJ-LBPRGKRZSA-N 1 2 340.391 0.502 20 30 ECEDLO COC(=O)C[C@H]1CSCC[N@@H+]1CC(=O)NC(=O)NC(C)(C)C ZINC000330990340 437665999 /nfs/dbraw/zinc/66/59/99/437665999.db2.gz RKDJWORRIXNOSM-JTQLQIEISA-N 1 2 331.438 0.796 20 30 ECEDLO COC(=O)C[C@H]1CSCC[N@H+]1CC(=O)NC(=O)NC(C)(C)C ZINC000330990340 437666004 /nfs/dbraw/zinc/66/60/04/437666004.db2.gz RKDJWORRIXNOSM-JTQLQIEISA-N 1 2 331.438 0.796 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)NCC(C)(C)C#N)C1=O ZINC000355106026 437670454 /nfs/dbraw/zinc/67/04/54/437670454.db2.gz SROYXESNSJNFEA-LBPRGKRZSA-N 1 2 332.408 0.760 20 30 ECEDLO CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355099100 437671541 /nfs/dbraw/zinc/67/15/41/437671541.db2.gz MJYIVKHMSCRJJB-CYBMUJFWSA-N 1 2 344.419 0.698 20 30 ECEDLO CCOC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292305506 437679404 /nfs/dbraw/zinc/67/94/04/437679404.db2.gz VAUFHHOFBYLODV-CQSZACIVSA-N 1 2 346.387 0.428 20 30 ECEDLO CCOC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292305506 437679410 /nfs/dbraw/zinc/67/94/10/437679410.db2.gz VAUFHHOFBYLODV-CQSZACIVSA-N 1 2 346.387 0.428 20 30 ECEDLO COc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000362128249 437720282 /nfs/dbraw/zinc/72/02/82/437720282.db2.gz DWOUQSAWSKVWRL-ZDUSSCGKSA-N 1 2 338.433 0.091 20 30 ECEDLO COc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000362128249 437720286 /nfs/dbraw/zinc/72/02/86/437720286.db2.gz DWOUQSAWSKVWRL-ZDUSSCGKSA-N 1 2 338.433 0.091 20 30 ECEDLO CNC(=O)C[N@@H+]1CCCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000363154274 437769723 /nfs/dbraw/zinc/76/97/23/437769723.db2.gz MGYXJFLEEPMLJQ-HNNXBMFYSA-N 1 2 349.479 0.471 20 30 ECEDLO CNC(=O)C[N@H+]1CCCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000363154274 437769726 /nfs/dbraw/zinc/76/97/26/437769726.db2.gz MGYXJFLEEPMLJQ-HNNXBMFYSA-N 1 2 349.479 0.471 20 30 ECEDLO CNC(=O)CN1CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000363154274 437769728 /nfs/dbraw/zinc/76/97/28/437769728.db2.gz MGYXJFLEEPMLJQ-HNNXBMFYSA-N 1 2 349.479 0.471 20 30 ECEDLO CNC(=O)CN1CCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000363154274 437769730 /nfs/dbraw/zinc/76/97/30/437769730.db2.gz MGYXJFLEEPMLJQ-HNNXBMFYSA-N 1 2 349.479 0.471 20 30 ECEDLO Cc1n[nH]c(C2CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)n1 ZINC000363192811 437772220 /nfs/dbraw/zinc/77/22/20/437772220.db2.gz OOQAFMZZEXASAQ-UHFFFAOYSA-N 1 2 329.408 0.948 20 30 ECEDLO Cc1nc(C2CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)n[nH]1 ZINC000363192811 437772226 /nfs/dbraw/zinc/77/22/26/437772226.db2.gz OOQAFMZZEXASAQ-UHFFFAOYSA-N 1 2 329.408 0.948 20 30 ECEDLO Cc1nnc(C2CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)[nH]1 ZINC000363192811 437772231 /nfs/dbraw/zinc/77/22/31/437772231.db2.gz OOQAFMZZEXASAQ-UHFFFAOYSA-N 1 2 329.408 0.948 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C(=O)CCOC)CC1 ZINC000355674133 437725259 /nfs/dbraw/zinc/72/52/59/437725259.db2.gz BSEVKKZYXCVQMA-HNNXBMFYSA-N 1 2 325.453 0.980 20 30 ECEDLO CNS(=O)(=O)NC1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000362278659 437728511 /nfs/dbraw/zinc/72/85/11/437728511.db2.gz OKMLXPAGCAMIOO-UHFFFAOYSA-N 1 2 326.397 0.716 20 30 ECEDLO CC1(C)C[S@](=O)CC[N@@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000331310778 437738863 /nfs/dbraw/zinc/73/88/63/437738863.db2.gz BULAFLXOPGJKSY-JOCHJYFZSA-N 1 2 343.371 0.812 20 30 ECEDLO CC1(C)C[S@](=O)CC[N@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000331310778 437738866 /nfs/dbraw/zinc/73/88/66/437738866.db2.gz BULAFLXOPGJKSY-JOCHJYFZSA-N 1 2 343.371 0.812 20 30 ECEDLO C=CC[C@@H](CO)CNC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000340810612 437742048 /nfs/dbraw/zinc/74/20/48/437742048.db2.gz ZSQMPGDSWXMPGG-KGLIPLIRSA-N 1 2 349.435 0.395 20 30 ECEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H](O)CN3CCCC3=O)CCO2)c1 ZINC000331386316 437749884 /nfs/dbraw/zinc/74/98/84/437749884.db2.gz IADIMENHRNSZKH-SJORKVTESA-N 1 2 329.400 0.915 20 30 ECEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H](O)CN3CCCC3=O)CCO2)c1 ZINC000331386316 437749888 /nfs/dbraw/zinc/74/98/88/437749888.db2.gz IADIMENHRNSZKH-SJORKVTESA-N 1 2 329.400 0.915 20 30 ECEDLO CCCn1nc2c(cc1=O)C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC2 ZINC000364437067 437817646 /nfs/dbraw/zinc/81/76/46/437817646.db2.gz YVDQRXSJQCAUAP-GOSISDBHSA-N 1 2 343.431 0.820 20 30 ECEDLO CCCn1nc2c(cc1=O)C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC2 ZINC000364437067 437817650 /nfs/dbraw/zinc/81/76/50/437817650.db2.gz YVDQRXSJQCAUAP-GOSISDBHSA-N 1 2 343.431 0.820 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCc2nn(CC)c(=O)cc2C1 ZINC000363559928 437796570 /nfs/dbraw/zinc/79/65/70/437796570.db2.gz TXHHNKZEUHWAEL-NSHDSACASA-N 1 2 333.392 0.022 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCc2nn(CC)c(=O)cc2C1 ZINC000363559928 437796576 /nfs/dbraw/zinc/79/65/76/437796576.db2.gz TXHHNKZEUHWAEL-NSHDSACASA-N 1 2 333.392 0.022 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCCNC(=O)C1CC1 ZINC000346535448 437813920 /nfs/dbraw/zinc/81/39/20/437813920.db2.gz QEOFUMPTOJHTHK-UHFFFAOYSA-N 1 2 336.436 0.367 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000364318966 437815312 /nfs/dbraw/zinc/81/53/12/437815312.db2.gz JXFCTPJDOYJTOY-UHFFFAOYSA-N 1 2 328.376 0.678 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)CN1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000370795283 437841351 /nfs/dbraw/zinc/84/13/51/437841351.db2.gz GTPZMQPYDVRRSM-KRWDZBQOSA-N 1 2 349.479 0.457 20 30 ECEDLO CNS(=O)(=O)C1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000370804355 437843018 /nfs/dbraw/zinc/84/30/18/437843018.db2.gz UKTNZRWZUMNQDQ-AWEZNQCLSA-N 1 2 330.454 0.054 20 30 ECEDLO C=CC[C@H](CO)NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000341516394 437857054 /nfs/dbraw/zinc/85/70/54/437857054.db2.gz WWFSQMHELWQOJV-OAHLLOKOSA-N 1 2 338.452 0.167 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000370958459 437861397 /nfs/dbraw/zinc/86/13/97/437861397.db2.gz CQZPAGDJWKCZEA-UKRRQHHQSA-N 1 2 342.465 0.197 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000370958459 437861401 /nfs/dbraw/zinc/86/14/01/437861401.db2.gz CQZPAGDJWKCZEA-UKRRQHHQSA-N 1 2 342.465 0.197 20 30 ECEDLO COc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000357091922 437909870 /nfs/dbraw/zinc/90/98/70/437909870.db2.gz XNYUOUWJFXGZRC-GFCCVEGCSA-N 1 2 346.387 0.342 20 30 ECEDLO COc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000357091922 437909873 /nfs/dbraw/zinc/90/98/73/437909873.db2.gz XNYUOUWJFXGZRC-GFCCVEGCSA-N 1 2 346.387 0.342 20 30 ECEDLO N#CC1CCC(CNC(=O)C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000424504271 437960053 /nfs/dbraw/zinc/96/00/53/437960053.db2.gz JOCPDNHEFJLHQH-BPCQOVAHSA-N 1 2 342.390 0.794 20 30 ECEDLO N#Cc1ccc(CNC(=O)C(=O)NC[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC000424550818 437971962 /nfs/dbraw/zinc/97/19/62/437971962.db2.gz NSWZXUFSKSPYIR-CYBMUJFWSA-N 1 2 336.342 0.535 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000365923469 437989157 /nfs/dbraw/zinc/98/91/57/437989157.db2.gz VFLWHIHYALSJGH-UHFFFAOYSA-N 1 2 329.404 0.453 20 30 ECEDLO C=C(C)CS(=O)(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000357449649 437990984 /nfs/dbraw/zinc/99/09/84/437990984.db2.gz DXOZXGOVZQLDJE-GFCCVEGCSA-N 1 2 326.422 0.407 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000425878519 438046969 /nfs/dbraw/zinc/04/69/69/438046969.db2.gz DAGPHSIZNPXKRX-KBPBESRZSA-N 1 2 328.372 0.658 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCO[C@@H]2C(=C)C)CC1 ZINC000365950812 437993656 /nfs/dbraw/zinc/99/36/56/437993656.db2.gz PWQRWARSAVQRGG-SJLPKXTDSA-N 1 2 347.459 0.641 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCO[C@@H]2C(=C)C)CC1 ZINC000365950812 437993661 /nfs/dbraw/zinc/99/36/61/437993661.db2.gz PWQRWARSAVQRGG-SJLPKXTDSA-N 1 2 347.459 0.641 20 30 ECEDLO C#CCN(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC000365949734 437994807 /nfs/dbraw/zinc/99/48/07/437994807.db2.gz SBNHXLDBMIIPBM-INIZCTEOSA-N 1 2 347.459 0.572 20 30 ECEDLO COC(=O)CN(CC[NH+]1CCOCC1)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000357481298 437997355 /nfs/dbraw/zinc/99/73/55/437997355.db2.gz ZBBJYEMJCHMAGG-UHFFFAOYSA-N 1 2 348.359 0.778 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000430406848 438111089 /nfs/dbraw/zinc/11/10/89/438111089.db2.gz VFMFOWLJTRSDIW-ZNMIVQPWSA-N 1 2 346.431 0.833 20 30 ECEDLO N#CCC1(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000430433308 438114191 /nfs/dbraw/zinc/11/41/91/438114191.db2.gz CNCMVIXCGIPXBP-UHFFFAOYSA-N 1 2 343.435 0.592 20 30 ECEDLO Cc1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1S(=O)(=O)NCC#N ZINC000358118666 438158018 /nfs/dbraw/zinc/15/80/18/438158018.db2.gz JLJUUTKBLOLCQQ-UHFFFAOYSA-N 1 2 333.373 0.450 20 30 ECEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@]1(C#N)CCOC1)CC2 ZINC000358450767 438228777 /nfs/dbraw/zinc/22/87/77/438228777.db2.gz RERVJLQPXYMOOY-SFHVURJKSA-N 1 2 345.399 0.861 20 30 ECEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@]1(C#N)CCOC1)CC2 ZINC000358450767 438228782 /nfs/dbraw/zinc/22/87/82/438228782.db2.gz RERVJLQPXYMOOY-SFHVURJKSA-N 1 2 345.399 0.861 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000433953811 438274666 /nfs/dbraw/zinc/27/46/66/438274666.db2.gz MLUSFNLSZOIERC-UHFFFAOYSA-N 1 2 337.383 0.992 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000433953811 438274671 /nfs/dbraw/zinc/27/46/71/438274671.db2.gz MLUSFNLSZOIERC-UHFFFAOYSA-N 1 2 337.383 0.992 20 30 ECEDLO N#CCNC(=O)CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000377036070 438299789 /nfs/dbraw/zinc/29/97/89/438299789.db2.gz WQOVCHWUVKDWHI-CYBMUJFWSA-N 1 2 344.419 0.748 20 30 ECEDLO N#CCCCS(=O)(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000369178341 438431222 /nfs/dbraw/zinc/43/12/22/438431222.db2.gz ZZMPCSXQMFPYRR-ZDUSSCGKSA-N 1 2 333.479 0.417 20 30 ECEDLO COCCN(CCC#N)S(=O)(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000352282729 438405582 /nfs/dbraw/zinc/40/55/82/438405582.db2.gz WDBZCSYYQJACTR-CYBMUJFWSA-N 1 2 341.437 0.568 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000437981722 438462636 /nfs/dbraw/zinc/46/26/36/438462636.db2.gz BFMAUSBYXOMYIL-PMPSAXMXSA-N 1 2 341.452 0.302 20 30 ECEDLO Cc1cc[nH+]cc1N1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1 ZINC000407977049 438476087 /nfs/dbraw/zinc/47/60/87/438476087.db2.gz WHSALBZCADGQRV-AWEZNQCLSA-N 1 2 337.449 0.991 20 30 ECEDLO C=C(C)C[N@H+](CC(=O)NCC(=O)N1CCCC1)Cc1ccc(CO)o1 ZINC000352814684 438480385 /nfs/dbraw/zinc/48/03/85/438480385.db2.gz IDMLCAADQMOXHT-UHFFFAOYSA-N 1 2 349.431 0.889 20 30 ECEDLO C=C(C)C[N@@H+](CC(=O)NCC(=O)N1CCCC1)Cc1ccc(CO)o1 ZINC000352814684 438480389 /nfs/dbraw/zinc/48/03/89/438480389.db2.gz IDMLCAADQMOXHT-UHFFFAOYSA-N 1 2 349.431 0.889 20 30 ECEDLO N#CC1(CS(=O)(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CCCC1 ZINC000352861343 438486078 /nfs/dbraw/zinc/48/60/78/438486078.db2.gz HEXPGSXJLRCMLB-AWEZNQCLSA-N 1 2 327.450 0.853 20 30 ECEDLO N#CC1(CS(=O)(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CCCC1 ZINC000352861343 438486082 /nfs/dbraw/zinc/48/60/82/438486082.db2.gz HEXPGSXJLRCMLB-AWEZNQCLSA-N 1 2 327.450 0.853 20 30 ECEDLO CC[C@H](C(=O)OC)N1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000352688622 438462113 /nfs/dbraw/zinc/46/21/13/438462113.db2.gz BSKICWVXYRABAU-OAHLLOKOSA-N 1 2 349.435 0.212 20 30 ECEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000353213008 438503006 /nfs/dbraw/zinc/50/30/06/438503006.db2.gz ZMMOFJNDQVKOCJ-CVEARBPZSA-N 1 2 326.437 0.917 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000369907221 438526159 /nfs/dbraw/zinc/52/61/59/438526159.db2.gz WGRUDVFRSHEVSS-LSDHHAIUSA-N 1 2 335.452 0.033 20 30 ECEDLO C=CC[C@H](CC)NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000440251126 438538377 /nfs/dbraw/zinc/53/83/77/438538377.db2.gz AURUXYBEASASOH-AWEZNQCLSA-N 1 2 349.435 0.625 20 30 ECEDLO C=CC[N@@H+](C)CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000440533463 438555193 /nfs/dbraw/zinc/55/51/93/438555193.db2.gz NMSVLCBHNJOOFU-UHFFFAOYSA-N 1 2 346.474 0.828 20 30 ECEDLO C=CC[N@H+](C)CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000440533463 438555195 /nfs/dbraw/zinc/55/51/95/438555195.db2.gz NMSVLCBHNJOOFU-UHFFFAOYSA-N 1 2 346.474 0.828 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(F)c2)C[C@H](C)[N@H+]1CCO ZINC000451888466 438612703 /nfs/dbraw/zinc/61/27/03/438612703.db2.gz JFWRFULTALLGAA-TXEJJXNPSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(F)c2)C[C@H](C)[N@@H+]1CCO ZINC000451888466 438612708 /nfs/dbraw/zinc/61/27/08/438612708.db2.gz JFWRFULTALLGAA-TXEJJXNPSA-N 1 2 341.408 0.773 20 30 ECEDLO Cc1ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)c(C)[nH+]1 ZINC000447261666 438674605 /nfs/dbraw/zinc/67/46/05/438674605.db2.gz ADSFUGLEEWSTPL-UHFFFAOYSA-N 1 2 341.375 0.563 20 30 ECEDLO C[C@@H](Oc1ccccn1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000449819024 438687581 /nfs/dbraw/zinc/68/75/81/438687581.db2.gz OUYFOGNFVLABDY-OAHLLOKOSA-N 1 2 332.404 0.923 20 30 ECEDLO CN(C)c1noc([C@@H]2CCC[N@H+](CC(=O)NC3(C#N)CCC3)C2)n1 ZINC000548924477 438734585 /nfs/dbraw/zinc/73/45/85/438734585.db2.gz SRRWSCNPKPGYRB-GFCCVEGCSA-N 1 2 332.408 0.877 20 30 ECEDLO CN(C)c1noc([C@@H]2CCC[N@@H+](CC(=O)NC3(C#N)CCC3)C2)n1 ZINC000548924477 438734589 /nfs/dbraw/zinc/73/45/89/438734589.db2.gz SRRWSCNPKPGYRB-GFCCVEGCSA-N 1 2 332.408 0.877 20 30 ECEDLO Cn1ncc2c1nc(N)[nH+]c2N1CCN(c2ccc(C#N)cn2)CC1 ZINC000575072106 438736208 /nfs/dbraw/zinc/73/62/08/438736208.db2.gz QECRUURTRZARNA-UHFFFAOYSA-N 1 2 335.375 0.539 20 30 ECEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CC(C)(C#N)C3)ccn2)CC1 ZINC000551945617 438740259 /nfs/dbraw/zinc/74/02/59/438740259.db2.gz OIURYEXDMMUGGF-UHFFFAOYSA-N 1 2 342.403 0.847 20 30 ECEDLO CN(CC(=O)OC(C)(C)C)[C@H]1C[N@H+](C[C@@H](C#N)CCC#N)C[C@H]1O ZINC000554252962 438762267 /nfs/dbraw/zinc/76/22/67/438762267.db2.gz HVKRVSDIVXWRMU-QLFBSQMISA-N 1 2 336.436 0.749 20 30 ECEDLO CN(CC(=O)OC(C)(C)C)[C@H]1C[N@@H+](C[C@@H](C#N)CCC#N)C[C@H]1O ZINC000554252962 438762270 /nfs/dbraw/zinc/76/22/70/438762270.db2.gz HVKRVSDIVXWRMU-QLFBSQMISA-N 1 2 336.436 0.749 20 30 ECEDLO C[N@H+](CC(=O)OC(C)(C)C)[C@H]1CN(C[C@@H](C#N)CCC#N)C[C@H]1O ZINC000554252962 438762272 /nfs/dbraw/zinc/76/22/72/438762272.db2.gz HVKRVSDIVXWRMU-QLFBSQMISA-N 1 2 336.436 0.749 20 30 ECEDLO C[N@@H+](CC(=O)OC(C)(C)C)[C@H]1CN(C[C@@H](C#N)CCC#N)C[C@H]1O ZINC000554252962 438762275 /nfs/dbraw/zinc/76/22/75/438762275.db2.gz HVKRVSDIVXWRMU-QLFBSQMISA-N 1 2 336.436 0.749 20 30 ECEDLO N#CCN1CCC(NC(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000588126807 438819798 /nfs/dbraw/zinc/81/97/98/438819798.db2.gz SGWSDERYMWCWIS-AWEZNQCLSA-N 1 2 344.419 0.567 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccccc1CC#N ZINC000601443992 438895589 /nfs/dbraw/zinc/89/55/89/438895589.db2.gz MRLHYXYENHSDDR-UONOGXRCSA-N 1 2 337.445 0.828 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccccc1CC#N ZINC000601443992 438895593 /nfs/dbraw/zinc/89/55/93/438895593.db2.gz MRLHYXYENHSDDR-UONOGXRCSA-N 1 2 337.445 0.828 20 30 ECEDLO N#CC1(CC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000590196474 438902001 /nfs/dbraw/zinc/90/20/01/438902001.db2.gz FYVRJRCJXCETPL-UHFFFAOYSA-N 1 2 341.415 0.930 20 30 ECEDLO COC[C@]1(C(=O)OC)CCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000595821854 438868423 /nfs/dbraw/zinc/86/84/23/438868423.db2.gz ZIIZGLZIPMTAGR-QAPCUYQASA-N 1 2 348.399 0.952 20 30 ECEDLO COC[C@]1(C(=O)OC)CCC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000595821854 438868428 /nfs/dbraw/zinc/86/84/28/438868428.db2.gz ZIIZGLZIPMTAGR-QAPCUYQASA-N 1 2 348.399 0.952 20 30 ECEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000601395601 438874798 /nfs/dbraw/zinc/87/47/98/438874798.db2.gz MOQDGKBUTLGKIM-GFCCVEGCSA-N 1 2 341.408 0.693 20 30 ECEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000601395601 438874807 /nfs/dbraw/zinc/87/48/07/438874807.db2.gz MOQDGKBUTLGKIM-GFCCVEGCSA-N 1 2 341.408 0.693 20 30 ECEDLO Cc1cc(NC(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)ncc1C#N ZINC000577863272 438879365 /nfs/dbraw/zinc/87/93/65/438879365.db2.gz XZCNUZPBVDCPKI-CYBMUJFWSA-N 1 2 345.403 0.379 20 30 ECEDLO Cc1ncc(S(=O)(=O)N2CC(C[NH+]3CCOCC3)C2)cc1C#N ZINC000601418645 438884305 /nfs/dbraw/zinc/88/43/05/438884305.db2.gz YBEVOJLFTIYMOZ-UHFFFAOYSA-N 1 2 336.417 0.214 20 30 ECEDLO CN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCC[C@H]1C#N ZINC000601810684 438975598 /nfs/dbraw/zinc/97/55/98/438975598.db2.gz ORJSGENKAGIZCJ-XHSDSOJGSA-N 1 2 348.447 0.318 20 30 ECEDLO N#Cc1cc(F)cc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000602051350 439003625 /nfs/dbraw/zinc/00/36/25/439003625.db2.gz NDPVFDRFMCKNRY-HNNXBMFYSA-N 1 2 346.362 0.569 20 30 ECEDLO Cc1cc(NC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)nn1CCC#N ZINC000596817038 439003739 /nfs/dbraw/zinc/00/37/39/439003739.db2.gz SXFUQJMFZUHQFV-KBPBESRZSA-N 1 2 334.424 1.336 20 30 ECEDLO Cc1cc(NC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)nn1CCC#N ZINC000596817038 439003742 /nfs/dbraw/zinc/00/37/42/439003742.db2.gz SXFUQJMFZUHQFV-KBPBESRZSA-N 1 2 334.424 1.336 20 30 ECEDLO N#Cc1cc(F)cc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000602052033 439004096 /nfs/dbraw/zinc/00/40/96/439004096.db2.gz NDPVFDRFMCKNRY-OAHLLOKOSA-N 1 2 346.362 0.569 20 30 ECEDLO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2nc3ncccn3n2)cc1 ZINC000566121139 439009701 /nfs/dbraw/zinc/00/97/01/439009701.db2.gz YCXXEFRQOZTBBK-AWEZNQCLSA-N 1 2 338.371 0.720 20 30 ECEDLO COC(=O)c1ccccc1OCC[NH+]1CCN(C(=O)CC#N)CC1 ZINC000566424181 439053958 /nfs/dbraw/zinc/05/39/58/439053958.db2.gz JRJDRHVPASNJKR-UHFFFAOYSA-N 1 2 331.372 0.910 20 30 ECEDLO COC(=O)c1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000519700872 439054169 /nfs/dbraw/zinc/05/41/69/439054169.db2.gz ILFLNMAOTXSRQT-HNNXBMFYSA-N 1 2 334.332 0.955 20 30 ECEDLO N#Cc1c(F)cc(C(=O)N(CCO)CC[NH+]2CCOCC2)cc1F ZINC000597416200 439094044 /nfs/dbraw/zinc/09/40/44/439094044.db2.gz OHZQEDFWGWCSSQ-UHFFFAOYSA-N 1 2 339.342 0.603 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2nnc(C)n2C)CC1 ZINC000602945496 439166892 /nfs/dbraw/zinc/16/68/92/439166892.db2.gz WWLVQCIKZXXNRS-ZDUSSCGKSA-N 1 2 333.440 0.254 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000523436687 439168794 /nfs/dbraw/zinc/16/87/94/439168794.db2.gz GQJIOHFPMJFNPF-ZDUSSCGKSA-N 1 2 333.388 0.783 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000523436687 439168799 /nfs/dbraw/zinc/16/87/99/439168799.db2.gz GQJIOHFPMJFNPF-ZDUSSCGKSA-N 1 2 333.388 0.783 20 30 ECEDLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000592057222 439142416 /nfs/dbraw/zinc/14/24/16/439142416.db2.gz PEGQHWPIFXHTET-AWEZNQCLSA-N 1 2 337.445 0.581 20 30 ECEDLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000592057222 439142420 /nfs/dbraw/zinc/14/24/20/439142420.db2.gz PEGQHWPIFXHTET-AWEZNQCLSA-N 1 2 337.445 0.581 20 30 ECEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000602869767 439148115 /nfs/dbraw/zinc/14/81/15/439148115.db2.gz OORURYAGEFZIBK-AWEZNQCLSA-N 1 2 344.415 0.667 20 30 ECEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)NCCN2CCc3ccccc32)C1 ZINC000592147884 439166080 /nfs/dbraw/zinc/16/60/80/439166080.db2.gz SWSUHYNTZXAJQW-SFHVURJKSA-N 1 2 328.416 0.516 20 30 ECEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)NCCN2CCc3ccccc32)C1 ZINC000592147884 439166085 /nfs/dbraw/zinc/16/60/85/439166085.db2.gz SWSUHYNTZXAJQW-SFHVURJKSA-N 1 2 328.416 0.516 20 30 ECEDLO COCC[N@H+](C)Cc1cn(C[C@@H](O)COc2ccccc2C#N)nn1 ZINC000603264880 439222680 /nfs/dbraw/zinc/22/26/80/439222680.db2.gz NDBGMYULDHBGAY-MRXNPFEDSA-N 1 2 345.403 0.668 20 30 ECEDLO COCC[N@@H+](C)Cc1cn(C[C@@H](O)COc2ccccc2C#N)nn1 ZINC000603264880 439222684 /nfs/dbraw/zinc/22/26/84/439222684.db2.gz NDBGMYULDHBGAY-MRXNPFEDSA-N 1 2 345.403 0.668 20 30 ECEDLO N#Cc1ccccc1N1CCN(S(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000603279633 439226309 /nfs/dbraw/zinc/22/63/09/439226309.db2.gz QITBFXOTMQFSLA-UHFFFAOYSA-N 1 2 345.428 0.907 20 30 ECEDLO CCOC(=O)[C@]1(C)C[N@H+](C[C@@H](O)COc2ccccc2C#N)CCO1 ZINC000603005894 439181954 /nfs/dbraw/zinc/18/19/54/439181954.db2.gz SPEILDZJGLFQPO-QAPCUYQASA-N 1 2 348.399 0.952 20 30 ECEDLO CCOC(=O)[C@]1(C)C[N@@H+](C[C@@H](O)COc2ccccc2C#N)CCO1 ZINC000603005894 439181958 /nfs/dbraw/zinc/18/19/58/439181958.db2.gz SPEILDZJGLFQPO-QAPCUYQASA-N 1 2 348.399 0.952 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2ccccc2C(=O)OC)nn1 ZINC000603167032 439200506 /nfs/dbraw/zinc/20/05/06/439200506.db2.gz YHSQZVBOPCRHPZ-UHFFFAOYSA-N 1 2 341.371 0.816 20 30 ECEDLO N#Cc1ccsc1N1CC[C@@H](n2cc([C@H]3COCC[NH2+]3)nn2)C1=O ZINC000603191107 439206873 /nfs/dbraw/zinc/20/68/73/439206873.db2.gz AJLOTMFNQZQYDZ-CHWSQXEVSA-N 1 2 344.400 0.850 20 30 ECEDLO CN(CC[NH+]1CCOCC1)c1ccc(C#N)cc1CS(N)(=O)=O ZINC000603286703 439227778 /nfs/dbraw/zinc/22/77/78/439227778.db2.gz LXYSSPHVJCOPDG-UHFFFAOYSA-N 1 2 338.433 0.115 20 30 ECEDLO C#CCNS(=O)(=O)c1cccc(C(=O)NCc2[nH+]ccn2C)c1 ZINC000490603711 439277787 /nfs/dbraw/zinc/27/77/87/439277787.db2.gz FZQXJFFLSKHMOM-UHFFFAOYSA-N 1 2 332.385 0.262 20 30 ECEDLO N#Cc1ccc2[nH+]cc(CN3CCO[C@]4(CCS(=O)(=O)C4)C3)n2c1 ZINC000592524910 439243197 /nfs/dbraw/zinc/24/31/97/439243197.db2.gz IIXALICMLWWITI-MRXNPFEDSA-N 1 2 346.412 0.595 20 30 ECEDLO COC(=O)COc1ccc(C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1[N+](=O)[O-] ZINC000592522330 439244292 /nfs/dbraw/zinc/24/42/92/439244292.db2.gz LYMDCYCVTIAHND-INIZCTEOSA-N 1 2 349.343 0.997 20 30 ECEDLO COC(=O)COc1ccc(C[N@H+]2CC[C@@](O)(CC#N)C2)cc1[N+](=O)[O-] ZINC000592522330 439244296 /nfs/dbraw/zinc/24/42/96/439244296.db2.gz LYMDCYCVTIAHND-INIZCTEOSA-N 1 2 349.343 0.997 20 30 ECEDLO CN(C)C(=O)CN1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528346111 439329310 /nfs/dbraw/zinc/32/93/10/439329310.db2.gz OUZPJDYRDIYCKY-INIZCTEOSA-N 1 2 346.431 0.004 20 30 ECEDLO CN(C)C(=O)C[NH+]1CCN(C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528346111 439329314 /nfs/dbraw/zinc/32/93/14/439329314.db2.gz OUZPJDYRDIYCKY-INIZCTEOSA-N 1 2 346.431 0.004 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)OC)CC1 ZINC000490715629 439289140 /nfs/dbraw/zinc/28/91/40/439289140.db2.gz YDFNBVNQCLSSEM-ZMSDIMECSA-N 1 2 333.432 0.037 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)OC)CC1 ZINC000490715629 439289143 /nfs/dbraw/zinc/28/91/43/439289143.db2.gz YDFNBVNQCLSSEM-ZMSDIMECSA-N 1 2 333.432 0.037 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(Cl)cc2C(N)=O)CC1 ZINC000490759324 439294911 /nfs/dbraw/zinc/29/49/11/439294911.db2.gz CIGJZBICGWBWLC-UHFFFAOYSA-N 1 2 334.807 0.628 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+](C)C[C@H]2COc3ccccc3O2)CC1 ZINC000490760460 439295462 /nfs/dbraw/zinc/29/54/62/439295462.db2.gz LTIGPZHUKOCWRR-INIZCTEOSA-N 1 2 343.427 0.536 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+](C)C[C@H]2COc3ccccc3O2)CC1 ZINC000490760460 439295466 /nfs/dbraw/zinc/29/54/66/439295466.db2.gz LTIGPZHUKOCWRR-INIZCTEOSA-N 1 2 343.427 0.536 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(C)CC(=O)NCc2cccs2)CC1 ZINC000490838334 439303291 /nfs/dbraw/zinc/30/32/91/439303291.db2.gz ATJLGLAARZBNDB-UHFFFAOYSA-N 1 2 348.472 0.074 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CC[C@@H](C(N)=O)c3ccccc32)CC1 ZINC000490891304 439307150 /nfs/dbraw/zinc/30/71/50/439307150.db2.gz CONUUWXXBQKANY-MRXNPFEDSA-N 1 2 340.427 0.243 20 30 ECEDLO C#CCN(C(=O)NCc1cn2ccccc2[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC000490916579 439311744 /nfs/dbraw/zinc/31/17/44/439311744.db2.gz TTXJFXHWGULZOP-AWEZNQCLSA-N 1 2 346.412 0.666 20 30 ECEDLO C[C@@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@@H](C(N)=O)C1 ZINC000528467251 439339764 /nfs/dbraw/zinc/33/97/64/439339764.db2.gz YVRMBRNDGBIMTE-CZUORRHYSA-N 1 2 339.395 0.872 20 30 ECEDLO C[C@@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@@H](C(N)=O)C1 ZINC000528467251 439339771 /nfs/dbraw/zinc/33/97/71/439339771.db2.gz YVRMBRNDGBIMTE-CZUORRHYSA-N 1 2 339.395 0.872 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)N2CCCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000491255061 439358817 /nfs/dbraw/zinc/35/88/17/439358817.db2.gz VLFGARYXMXGLEN-HNNXBMFYSA-N 1 2 326.462 0.757 20 30 ECEDLO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N(C)Cc1[nH+]ccn1C ZINC000593525934 439394230 /nfs/dbraw/zinc/39/42/30/439394230.db2.gz OONADASWAIXPDC-UHFFFAOYSA-N 1 2 348.384 0.899 20 30 ECEDLO C#CCN(C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000491622311 439412611 /nfs/dbraw/zinc/41/26/11/439412611.db2.gz IAMKGAVVOXDXED-CJNGLKHVSA-N 1 2 344.452 0.848 20 30 ECEDLO C#CCN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000491622311 439412616 /nfs/dbraw/zinc/41/26/16/439412616.db2.gz IAMKGAVVOXDXED-CJNGLKHVSA-N 1 2 344.452 0.848 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cnc3c(c2=O)CC(C)(C)CC3)CC1 ZINC000491810854 439455657 /nfs/dbraw/zinc/45/56/57/439455657.db2.gz ALMCILCSBFVKGN-UHFFFAOYSA-N 1 2 342.443 0.536 20 30 ECEDLO C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000491713445 439432872 /nfs/dbraw/zinc/43/28/72/439432872.db2.gz COHMJCPYBQEGNV-LBPRGKRZSA-N 1 2 330.388 0.645 20 30 ECEDLO C#C[C@@H]1COCCN1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000491770869 439447012 /nfs/dbraw/zinc/44/70/12/439447012.db2.gz QNMNIXSQWRMYFV-MSOLQXFVSA-N 1 2 343.427 0.931 20 30 ECEDLO C#C[C@@H]1COCCN1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000491770869 439447016 /nfs/dbraw/zinc/44/70/16/439447016.db2.gz QNMNIXSQWRMYFV-MSOLQXFVSA-N 1 2 343.427 0.931 20 30 ECEDLO Cc1cc(C#N)cnc1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000529753431 439454178 /nfs/dbraw/zinc/45/41/78/439454178.db2.gz SAZMFNYOTYLIGX-GOSISDBHSA-N 1 2 344.415 0.607 20 30 ECEDLO Cc1cc(C#N)cnc1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000529753431 439454182 /nfs/dbraw/zinc/45/41/82/439454182.db2.gz SAZMFNYOTYLIGX-GOSISDBHSA-N 1 2 344.415 0.607 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2nncn2C)CC1 ZINC000594026730 439510375 /nfs/dbraw/zinc/51/03/75/439510375.db2.gz NYLQJNONAMYJDC-CJNGLKHVSA-N 1 2 333.440 0.380 20 30 ECEDLO C=CCNC(=O)CN1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000608313592 439505657 /nfs/dbraw/zinc/50/56/57/439505657.db2.gz CASRYPZWIXISQO-UHFFFAOYSA-N 1 2 342.403 0.786 20 30 ECEDLO Cn1cnnc1N1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000594022420 439508795 /nfs/dbraw/zinc/50/87/95/439508795.db2.gz HIWAZEZUVIORPS-UHFFFAOYSA-N 1 2 339.403 0.125 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000533086997 439522746 /nfs/dbraw/zinc/52/27/46/439522746.db2.gz SPIBEIWLNRGFAL-YRGRVCCFSA-N 1 2 330.454 0.053 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000533086997 439522752 /nfs/dbraw/zinc/52/27/52/439522752.db2.gz SPIBEIWLNRGFAL-YRGRVCCFSA-N 1 2 330.454 0.053 20 30 ECEDLO C[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)CCO1 ZINC000609124656 439549824 /nfs/dbraw/zinc/54/98/24/439549824.db2.gz XAIXEUOHHRNUHI-NSHDSACASA-N 1 2 334.351 0.473 20 30 ECEDLO C[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)CCO1 ZINC000609124656 439549828 /nfs/dbraw/zinc/54/98/28/439549828.db2.gz XAIXEUOHHRNUHI-NSHDSACASA-N 1 2 334.351 0.473 20 30 ECEDLO Cc1noc([C@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)n1 ZINC000542580131 439557598 /nfs/dbraw/zinc/55/75/98/439557598.db2.gz JTYCOLKCJHOODU-JSGCOSHPSA-N 1 2 334.424 0.721 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)CC1 ZINC000599600176 439514960 /nfs/dbraw/zinc/51/49/60/439514960.db2.gz ZQCYEPLHRXWJRY-GVDBMIGSSA-N 1 2 334.464 0.932 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCO[C@@H]3CCC[C@@H]32)CC1 ZINC000599600176 439514962 /nfs/dbraw/zinc/51/49/62/439514962.db2.gz ZQCYEPLHRXWJRY-GVDBMIGSSA-N 1 2 334.464 0.932 20 30 ECEDLO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2nc(C(N)=O)cs2)cc1 ZINC000594733504 439599921 /nfs/dbraw/zinc/59/99/21/439599921.db2.gz WMRBNDIJEBDGMU-LBPRGKRZSA-N 1 2 346.412 0.838 20 30 ECEDLO N#Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000610462648 439617733 /nfs/dbraw/zinc/61/77/33/439617733.db2.gz KLBAUVNNNPTQRI-MRXNPFEDSA-N 1 2 342.399 0.820 20 30 ECEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@H](O)C[C@H](O)C2)c1 ZINC000610604267 439628864 /nfs/dbraw/zinc/62/88/64/439628864.db2.gz LETOTNVCTUQODS-CALCHBBNSA-N 1 2 331.416 0.978 20 30 ECEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](O)C[C@H](O)C2)c1 ZINC000610604267 439628868 /nfs/dbraw/zinc/62/88/68/439628868.db2.gz LETOTNVCTUQODS-CALCHBBNSA-N 1 2 331.416 0.978 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000595126239 439659136 /nfs/dbraw/zinc/65/91/36/439659136.db2.gz NETRVXMDEGFOBN-QWHCGFSZSA-N 1 2 330.388 0.722 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000595126239 439659137 /nfs/dbraw/zinc/65/91/37/439659137.db2.gz NETRVXMDEGFOBN-QWHCGFSZSA-N 1 2 330.388 0.722 20 30 ECEDLO N#CC1(c2ccc(C(=O)N[C@H](CO)C[NH+]3CCOCC3)cc2)CC1 ZINC000572989349 439622552 /nfs/dbraw/zinc/62/25/52/439622552.db2.gz JRGWOKAWSXPSGZ-INIZCTEOSA-N 1 2 329.400 0.665 20 30 ECEDLO CN(CCC#N)S(=O)(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000595359314 439712122 /nfs/dbraw/zinc/71/21/22/439712122.db2.gz MDNDJGLCZDSZDK-ZIAGYGMSSA-N 1 2 342.465 0.310 20 30 ECEDLO CN1CC(=O)N(CC[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)C1=O ZINC000595377689 439716261 /nfs/dbraw/zinc/71/62/61/439716261.db2.gz QQIXTIQEJXZGHU-INIZCTEOSA-N 1 2 341.415 0.763 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC[C@H]1CCS(=O)(=O)C1 ZINC000611171421 439677708 /nfs/dbraw/zinc/67/77/08/439677708.db2.gz OWCPUFZOKNLHJT-KBPBESRZSA-N 1 2 349.460 0.684 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CC[C@H]1CCS(=O)(=O)C1 ZINC000611171421 439677711 /nfs/dbraw/zinc/67/77/11/439677711.db2.gz OWCPUFZOKNLHJT-KBPBESRZSA-N 1 2 349.460 0.684 20 30 ECEDLO C[C@@]1(C#N)CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000612370900 439696664 /nfs/dbraw/zinc/69/66/64/439696664.db2.gz CVYNPSYETFMJJM-QAPCUYQASA-N 1 2 348.447 0.319 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000615096662 439794444 /nfs/dbraw/zinc/79/44/44/439794444.db2.gz UUYUZSFTWYJQLM-HOCLYGCPSA-N 1 2 328.478 0.980 20 30 ECEDLO C=C(C)COCCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000636930846 440098754 /nfs/dbraw/zinc/09/87/54/440098754.db2.gz LPSVZNLNBPDGFJ-KRWDZBQOSA-N 1 2 341.452 0.494 20 30 ECEDLO C=C(C)COCCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000636930846 440098759 /nfs/dbraw/zinc/09/87/59/440098759.db2.gz LPSVZNLNBPDGFJ-KRWDZBQOSA-N 1 2 341.452 0.494 20 30 ECEDLO C=CCN(CCc1ccco1)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632189006 440111786 /nfs/dbraw/zinc/11/17/86/440111786.db2.gz YAUCEYXMZUQBKF-OAHLLOKOSA-N 1 2 328.434 0.971 20 30 ECEDLO C=CCN(CCc1ccco1)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632189006 440111792 /nfs/dbraw/zinc/11/17/92/440111792.db2.gz YAUCEYXMZUQBKF-OAHLLOKOSA-N 1 2 328.434 0.971 20 30 ECEDLO C=CCN(CC=C)C(=O)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000632344907 440180144 /nfs/dbraw/zinc/18/01/44/440180144.db2.gz TYBMQKQJUOZSRF-UHFFFAOYSA-N 1 2 343.431 0.364 20 30 ECEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)nn1 ZINC000653671490 440225660 /nfs/dbraw/zinc/22/56/60/440225660.db2.gz DKZJCOXQTADADL-AWEZNQCLSA-N 1 2 341.481 0.958 20 30 ECEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)nn1 ZINC000653671490 440225670 /nfs/dbraw/zinc/22/56/70/440225670.db2.gz DKZJCOXQTADADL-AWEZNQCLSA-N 1 2 341.481 0.958 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)nn1 ZINC000648746587 440319679 /nfs/dbraw/zinc/31/96/79/440319679.db2.gz HWBZQMDKGWKIEX-HNNXBMFYSA-N 1 2 337.449 0.402 20 30 ECEDLO C=CCOCCCNC(=O)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000659596232 440371177 /nfs/dbraw/zinc/37/11/77/440371177.db2.gz HIMNYHRSLLYHAB-UHFFFAOYSA-N 1 2 348.451 0.863 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)nn1 ZINC000629431591 440698113 /nfs/dbraw/zinc/69/81/13/440698113.db2.gz ABTDELSFOLTACR-OAHLLOKOSA-N 1 2 342.403 0.490 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)nn1 ZINC000629431591 440698120 /nfs/dbraw/zinc/69/81/20/440698120.db2.gz ABTDELSFOLTACR-OAHLLOKOSA-N 1 2 342.403 0.490 20 30 ECEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C1 ZINC000661156139 440801031 /nfs/dbraw/zinc/80/10/31/440801031.db2.gz WEWHPUWHBABMDP-SNVBAGLBSA-N 1 2 331.376 0.674 20 30 ECEDLO N#CC[C@H]1CCC[N@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)C1 ZINC000661156139 440801038 /nfs/dbraw/zinc/80/10/38/440801038.db2.gz WEWHPUWHBABMDP-SNVBAGLBSA-N 1 2 331.376 0.674 20 30 ECEDLO C=CCCNC(=O)N1CC[NH+]([C@H](C)C(=O)NCCCOC)CC1 ZINC000661571411 440880381 /nfs/dbraw/zinc/88/03/81/440880381.db2.gz UNHWBBQYHGXYSF-CQSZACIVSA-N 1 2 326.441 0.431 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)n1cc(CC[NH+]2CCOCC2)nn1 ZINC000640919354 441023201 /nfs/dbraw/zinc/02/32/01/441023201.db2.gz IKCRZEAEPCTPCH-HNNXBMFYSA-N 1 2 333.436 0.914 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)c(N)n2)CC1 ZINC000566478227 322536327 /nfs/dbraw/zinc/53/63/27/322536327.db2.gz MFLAMZQKEHKTMB-CYBMUJFWSA-N 1 2 346.435 0.199 20 30 ECEDLO Cn1nccc1[C@@H](CO)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000574813227 322785755 /nfs/dbraw/zinc/78/57/55/322785755.db2.gz VFLRLDZGSWTHAB-CQSZACIVSA-N 1 2 334.401 0.389 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C(=O)N(C)C)c2)C1 ZINC001078022259 782156009 /nfs/dbraw/zinc/15/60/09/782156009.db2.gz ATPHUNYQVVLSPA-HZPDHXFCSA-N 1 2 329.400 0.187 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C(=O)N(C)C)c2)C1 ZINC001078022259 782156013 /nfs/dbraw/zinc/15/60/13/782156013.db2.gz ATPHUNYQVVLSPA-HZPDHXFCSA-N 1 2 329.400 0.187 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000174666866 526600906 /nfs/dbraw/zinc/60/09/06/526600906.db2.gz HNWPOSZLTSSYDM-CQSZACIVSA-N 1 2 346.431 0.910 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000174666866 526600912 /nfs/dbraw/zinc/60/09/12/526600912.db2.gz HNWPOSZLTSSYDM-CQSZACIVSA-N 1 2 346.431 0.910 20 30 ECEDLO N#C[C@H]1CN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CCO1 ZINC000329428588 546023597 /nfs/dbraw/zinc/02/35/97/546023597.db2.gz JRISPHWNGUZFPH-HNNXBMFYSA-N 1 2 349.435 0.069 20 30 ECEDLO N#C[C@H]1CCC[C@@H]1NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000332908252 546053962 /nfs/dbraw/zinc/05/39/62/546053962.db2.gz UZZNCGCEOBKVSW-KGLIPLIRSA-N 1 2 332.408 1.029 20 30 ECEDLO CS(=O)(=O)[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000619723576 546364520 /nfs/dbraw/zinc/36/45/20/546364520.db2.gz OLAKOORYAFQMHJ-GOEBONIOSA-N 1 2 338.429 0.611 20 30 ECEDLO CS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000619723576 546364524 /nfs/dbraw/zinc/36/45/24/546364524.db2.gz OLAKOORYAFQMHJ-GOEBONIOSA-N 1 2 338.429 0.611 20 30 ECEDLO C=CCN(C)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000625383968 547085649 /nfs/dbraw/zinc/08/56/49/547085649.db2.gz SHGNFIIIDJFACQ-HNNXBMFYSA-N 1 2 332.404 0.043 20 30 ECEDLO C=CCN(C)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000625383968 547085653 /nfs/dbraw/zinc/08/56/53/547085653.db2.gz SHGNFIIIDJFACQ-HNNXBMFYSA-N 1 2 332.404 0.043 20 30 ECEDLO C=C(C)Cn1c(C2CC2)nnc1N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000670219857 547985784 /nfs/dbraw/zinc/98/57/84/547985784.db2.gz IDFQKUPOKIGITK-UHFFFAOYSA-N 1 2 332.452 0.942 20 30 ECEDLO C=C(C)[C@@H](CO)[N@@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000678050269 548991943 /nfs/dbraw/zinc/99/19/43/548991943.db2.gz WUTZBTJFSQXECM-XJKSGUPXSA-N 1 2 330.384 0.920 20 30 ECEDLO C=C(C)[C@@H](CO)[N@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000678050269 548991948 /nfs/dbraw/zinc/99/19/48/548991948.db2.gz WUTZBTJFSQXECM-XJKSGUPXSA-N 1 2 330.384 0.920 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cccnc3C)C[C@H]2O)nc1 ZINC001078030074 782174722 /nfs/dbraw/zinc/17/47/22/782174722.db2.gz GUZQWNUCAZOTBK-QZTJIDSGSA-N 1 2 336.395 0.741 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cccnc3C)C[C@H]2O)nc1 ZINC001078030074 782174730 /nfs/dbraw/zinc/17/47/30/782174730.db2.gz GUZQWNUCAZOTBK-QZTJIDSGSA-N 1 2 336.395 0.741 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cn(C)nc3C)C[C@H]2O)nc1 ZINC001078030449 782175912 /nfs/dbraw/zinc/17/59/12/782175912.db2.gz ZKEGMHVKLVJDMY-IAGOWNOFSA-N 1 2 339.399 0.080 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cn(C)nc3C)C[C@H]2O)nc1 ZINC001078030449 782175916 /nfs/dbraw/zinc/17/59/16/782175916.db2.gz ZKEGMHVKLVJDMY-IAGOWNOFSA-N 1 2 339.399 0.080 20 30 ECEDLO C#CCOc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000749708565 579341594 /nfs/dbraw/zinc/34/15/94/579341594.db2.gz ZXOCJPFYTFMNNR-AWEZNQCLSA-N 1 2 345.399 0.162 20 30 ECEDLO C[C@H]1C[N@H+](C)CC1=NNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000752165002 579381489 /nfs/dbraw/zinc/38/14/89/579381489.db2.gz NXWVWMMTPZNBQK-JTQLQIEISA-N 1 2 326.378 0.952 20 30 ECEDLO C[C@H]1C[N@@H+](C)CC1=NNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000752165002 579381490 /nfs/dbraw/zinc/38/14/90/579381490.db2.gz NXWVWMMTPZNBQK-JTQLQIEISA-N 1 2 326.378 0.952 20 30 ECEDLO CN(CCC#N)S(=O)(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000754427039 579417903 /nfs/dbraw/zinc/41/79/03/579417903.db2.gz VUSQGNFXYXFTPC-UHFFFAOYSA-N 1 2 345.494 0.576 20 30 ECEDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cccc(CC#N)c2)CC1 ZINC000731650637 578313655 /nfs/dbraw/zinc/31/36/55/578313655.db2.gz KESANJUOISUPLQ-UHFFFAOYSA-N 1 2 349.456 0.991 20 30 ECEDLO CC(C)C(CS(=O)(=O)N(C)C)N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000794921862 578601365 /nfs/dbraw/zinc/60/13/65/578601365.db2.gz FCXSUQMFSVICTO-RYUDHWBXSA-N 1 2 329.470 0.750 20 30 ECEDLO Cc1nn(C)c(N2CC[NH+](C[C@H](O)c3ccc(F)cn3)CC2)c1C#N ZINC000799323721 578663607 /nfs/dbraw/zinc/66/36/07/578663607.db2.gz ZMJSIAHGSROLLQ-INIZCTEOSA-N 1 2 344.394 0.990 20 30 ECEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@H](C(=O)OC)CC1=O ZINC000782262962 578721936 /nfs/dbraw/zinc/72/19/36/578721936.db2.gz DBBNMELGVZRFED-MRXNPFEDSA-N 1 2 345.399 0.986 20 30 ECEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CN1C[C@H](C(=O)OC)CC1=O ZINC000782262962 578721938 /nfs/dbraw/zinc/72/19/38/578721938.db2.gz DBBNMELGVZRFED-MRXNPFEDSA-N 1 2 345.399 0.986 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000783296489 578740922 /nfs/dbraw/zinc/74/09/22/578740922.db2.gz JBWIZRGTAIMSCB-UHFFFAOYSA-N 1 2 329.466 0.857 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000785769493 578774581 /nfs/dbraw/zinc/77/45/81/578774581.db2.gz UUSDGDLCPWWCAZ-UHFFFAOYSA-N 1 2 332.429 0.452 20 30 ECEDLO C=CCN1C(=O)C(=O)N(CC(=O)OCc2cc[nH+]c(N(C)C)c2)C1=O ZINC000767526093 579110516 /nfs/dbraw/zinc/11/05/16/579110516.db2.gz LZEHNUXLSOUHPX-UHFFFAOYSA-N 1 2 346.343 0.168 20 30 ECEDLO C=CCNC(=O)c1ccc(N2CC[NH+](CC[S@](C)=O)CC2)nc1 ZINC000771149279 579185146 /nfs/dbraw/zinc/18/51/46/579185146.db2.gz YYTGREAHUWJARK-QHCPKHFHSA-N 1 2 336.461 0.498 20 30 ECEDLO C#C[C@@H](NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)[C@H]1CCCO1 ZINC000773554981 579229951 /nfs/dbraw/zinc/22/99/51/579229951.db2.gz DKAWZNLDYCIVFP-HZPDHXFCSA-N 1 2 348.447 0.117 20 30 ECEDLO C#C[C@H](NC(=O)C[NH+]1CCN(c2ccccn2)CC1)[C@H]1CCCO1 ZINC000775350273 579265831 /nfs/dbraw/zinc/26/58/31/579265831.db2.gz OLWFTSBUNSSGRV-JKSUJKDBSA-N 1 2 328.416 0.501 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2Cc3ccccc32)CC1 ZINC000741140805 579766219 /nfs/dbraw/zinc/76/62/19/579766219.db2.gz QAFJQXWNEYKWGF-QGZVFWFLSA-N 1 2 325.412 0.610 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2Cc3ccccc32)CC1 ZINC000741140805 579766220 /nfs/dbraw/zinc/76/62/20/579766220.db2.gz QAFJQXWNEYKWGF-QGZVFWFLSA-N 1 2 325.412 0.610 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)CCCC)CC1 ZINC000744419196 579809370 /nfs/dbraw/zinc/80/93/70/579809370.db2.gz PXYFEDZCEAVIPS-OAHLLOKOSA-N 1 2 341.477 0.358 20 30 ECEDLO N#Cc1ccc(OC[C@H](O)C[NH+]2CCN(CCCCO)CC2)cc1 ZINC000746488595 579840708 /nfs/dbraw/zinc/84/07/08/579840708.db2.gz MITYTKAJUFIZTC-QGZVFWFLSA-N 1 2 333.432 0.688 20 30 ECEDLO CO[C@@]1(C)CC(=NNC(=S)NCC[NH+]2CCOCC2)C1(C)C ZINC000746559525 579841765 /nfs/dbraw/zinc/84/17/65/579841765.db2.gz XPFYDIJMHYFUIS-HNNXBMFYSA-N 1 2 328.482 0.974 20 30 ECEDLO Cn1c[nH+]cc1COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC000747782995 579854633 /nfs/dbraw/zinc/85/46/33/579854633.db2.gz SEWXYHCLNUUUFX-UHFFFAOYSA-N 1 2 348.384 0.969 20 30 ECEDLO Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)=N1 ZINC000834480024 588901652 /nfs/dbraw/zinc/90/16/52/588901652.db2.gz KIRFPSZEUDGFPR-ZYHUDNBSSA-N 1 2 329.335 0.867 20 30 ECEDLO Cc1[nH]c(C#N)cc1C(=O)O[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000835396301 588909249 /nfs/dbraw/zinc/90/92/49/588909249.db2.gz QKTGCWBJCXEQKF-GFCCVEGCSA-N 1 2 334.376 0.189 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000102491089 588932201 /nfs/dbraw/zinc/93/22/01/588932201.db2.gz HDFRUAKAKJRKKM-CYBMUJFWSA-N 1 2 332.404 0.017 20 30 ECEDLO CC(C)(CN=Nc1nccc(N2CCOCC2)n1)[NH+]1CCOCC1 ZINC000841628993 588996780 /nfs/dbraw/zinc/99/67/80/588996780.db2.gz LVJJAJCNLDAINM-UHFFFAOYSA-N 1 2 334.424 0.822 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC)c(OC)c2)C1 ZINC000891605283 586181150 /nfs/dbraw/zinc/18/11/50/586181150.db2.gz BDUKPZZSCHGMIC-CQSZACIVSA-N 1 2 345.399 0.856 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC)c(OC)c2)C1 ZINC000891605283 586181151 /nfs/dbraw/zinc/18/11/51/586181151.db2.gz BDUKPZZSCHGMIC-CQSZACIVSA-N 1 2 345.399 0.856 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000895915938 586212664 /nfs/dbraw/zinc/21/26/64/586212664.db2.gz PRCUKMKKFGQZTB-UHFFFAOYSA-N 1 2 340.474 0.606 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000895916020 586212820 /nfs/dbraw/zinc/21/28/20/586212820.db2.gz SQRYSLKRJMJHLH-ZFWWWQNUSA-N 1 2 337.445 0.988 20 30 ECEDLO C#CC1(O)CN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000896126797 586222373 /nfs/dbraw/zinc/22/23/73/586222373.db2.gz URCLINAPTTVOQE-UHFFFAOYSA-N 1 2 332.429 0.524 20 30 ECEDLO C=CCOC[C@@H]([NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)C(=O)OC ZINC000894194134 586378727 /nfs/dbraw/zinc/37/87/27/586378727.db2.gz KCGQVQPCROKVBX-GXTWGEPZSA-N 1 2 348.465 0.380 20 30 ECEDLO Cc1cc(NC[C@@H](O)C[N@H+](C)CCC#N)ccc1N1CCOCC1=O ZINC000899897053 586511435 /nfs/dbraw/zinc/51/14/35/586511435.db2.gz SRSGNIIQUOWQDT-MRXNPFEDSA-N 1 2 346.431 0.977 20 30 ECEDLO Cc1cc(NC[C@@H](O)C[N@@H+](C)CCC#N)ccc1N1CCOCC1=O ZINC000899897053 586511436 /nfs/dbraw/zinc/51/14/36/586511436.db2.gz SRSGNIIQUOWQDT-MRXNPFEDSA-N 1 2 346.431 0.977 20 30 ECEDLO N#CCc1ccc(OC[C@H](O)C[NH+]2CC3(C2)CCNC(=O)O3)cc1 ZINC000899907742 586512107 /nfs/dbraw/zinc/51/21/07/586512107.db2.gz HPLIAUSFCMLSRY-CQSZACIVSA-N 1 2 331.372 0.677 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CNc1cccc[nH+]1 ZINC000901022961 586683309 /nfs/dbraw/zinc/68/33/09/586683309.db2.gz WLMZYFHAABERCJ-CYBMUJFWSA-N 1 2 337.387 0.892 20 30 ECEDLO COC[C@@]1(C)NC(=O)N(C[NH+]2CCC3(CC2)CC(=O)C=CO3)C1=O ZINC000902599796 586746676 /nfs/dbraw/zinc/74/66/76/586746676.db2.gz KPPXIWSXQJDOGY-OAHLLOKOSA-N 1 2 337.376 0.239 20 30 ECEDLO C=CCN(C(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1)C(C)C ZINC000839245587 586842949 /nfs/dbraw/zinc/84/29/49/586842949.db2.gz BMIBEAGKXMNIQP-UHFFFAOYSA-N 1 2 325.453 0.979 20 30 ECEDLO COc1nn(C)cc1C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000905675373 586908896 /nfs/dbraw/zinc/90/88/96/586908896.db2.gz ONBIJEXZJDWCDY-UHFFFAOYSA-N 1 2 334.401 0.864 20 30 ECEDLO C[C@@H]1C[NH+](CCCNS(=O)(=O)c2ccc(C#N)cn2)C[C@@H](C)O1 ZINC000906820880 586988617 /nfs/dbraw/zinc/98/86/17/586988617.db2.gz QYTPMAPSJXBXOW-CHWSQXEVSA-N 1 2 338.433 0.731 20 30 ECEDLO C#Cc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000906989690 587003649 /nfs/dbraw/zinc/00/36/49/587003649.db2.gz XQMRACWCQWHPEJ-OAHLLOKOSA-N 1 2 335.473 0.830 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)nc1 ZINC000906991793 587003804 /nfs/dbraw/zinc/00/38/04/587003804.db2.gz OTVCSMKGPHTCDV-CQSZACIVSA-N 1 2 336.417 0.296 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)nc1 ZINC000907418178 587043331 /nfs/dbraw/zinc/04/33/31/587043331.db2.gz IEOCVDUASVAYSL-OLZOCXBDSA-N 1 2 338.458 0.811 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)nc1 ZINC000907418178 587043333 /nfs/dbraw/zinc/04/33/33/587043333.db2.gz IEOCVDUASVAYSL-OLZOCXBDSA-N 1 2 338.458 0.811 20 30 ECEDLO OCc1ccc(O)c(C=NNC(=S)NCC[NH+]2CCOCC2)c1 ZINC000814717393 587278999 /nfs/dbraw/zinc/27/89/99/587278999.db2.gz VGNZVZLVOSKKLH-UHFFFAOYSA-N 1 2 338.433 0.015 20 30 ECEDLO C#CC[C@H](CO)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000816671466 587318485 /nfs/dbraw/zinc/31/84/85/587318485.db2.gz YHJVEBNEYSKDIW-GDBMZVCRSA-N 1 2 333.407 0.837 20 30 ECEDLO COc1ncnc(N)c1C=[NH+]NCc1ccc(-c2nn[nH]n2)cc1 ZINC000821919565 587635574 /nfs/dbraw/zinc/63/55/74/587635574.db2.gz CYZFBZZCQSWVHT-UHFFFAOYSA-N 1 2 325.336 0.371 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H](C)[C@@H]2CCCO2)CC1 ZINC000826550810 588069485 /nfs/dbraw/zinc/06/94/85/588069485.db2.gz WLZPEHMFNKHDJJ-HOTGVXAUSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](C)[C@@H]2CCCO2)CC1 ZINC000826550810 588069487 /nfs/dbraw/zinc/06/94/87/588069487.db2.gz WLZPEHMFNKHDJJ-HOTGVXAUSA-N 1 2 335.448 0.475 20 30 ECEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)Nc2ccccc2C(=O)NC2CC2)C1 ZINC000829982539 588351907 /nfs/dbraw/zinc/35/19/07/588351907.db2.gz BSQIITSNDWTDEP-SFHVURJKSA-N 1 2 342.399 0.868 20 30 ECEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccccc2C(=O)NC2CC2)C1 ZINC000829982539 588351909 /nfs/dbraw/zinc/35/19/09/588351909.db2.gz BSQIITSNDWTDEP-SFHVURJKSA-N 1 2 342.399 0.868 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3cn(C)nn3)n2CC2CC2)CC1 ZINC000831341945 588422320 /nfs/dbraw/zinc/42/23/20/588422320.db2.gz ZTYXZYLDKAVGCP-UHFFFAOYSA-N 1 2 326.408 0.239 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCc3cccc(OC)c3C2)CC1 ZINC000831944021 588458163 /nfs/dbraw/zinc/45/81/63/588458163.db2.gz NMFHRYQMBJDKTP-UHFFFAOYSA-N 1 2 327.428 0.831 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCc3cccc(OC)c3C2)CC1 ZINC000831944021 588458166 /nfs/dbraw/zinc/45/81/66/588458166.db2.gz NMFHRYQMBJDKTP-UHFFFAOYSA-N 1 2 327.428 0.831 20 30 ECEDLO C=CCN(C(=O)C(=O)N1CCC(N2CC[NH+](C)CC2)CC1)C(C)C ZINC000867364429 589115998 /nfs/dbraw/zinc/11/59/98/589115998.db2.gz WKOYUDICUNESBM-UHFFFAOYSA-N 1 2 336.480 0.648 20 30 ECEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844956624 589126847 /nfs/dbraw/zinc/12/68/47/589126847.db2.gz DTAWIJCRVIDRET-WMLDXEAASA-N 1 2 346.431 0.954 20 30 ECEDLO C[C@H]1COCC[N@H+]1CCNC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844956624 589126848 /nfs/dbraw/zinc/12/68/48/589126848.db2.gz DTAWIJCRVIDRET-WMLDXEAASA-N 1 2 346.431 0.954 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)CC2(OC)CCOCC2)CC1 ZINC000845829821 589171979 /nfs/dbraw/zinc/17/19/79/589171979.db2.gz BRFZNGWANOKYQY-UHFFFAOYSA-N 1 2 330.450 0.153 20 30 ECEDLO CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)NCc1[nH+]ccn1C ZINC000846731698 589221456 /nfs/dbraw/zinc/22/14/56/589221456.db2.gz VLVOCNIHGXEMBO-CQSZACIVSA-N 1 2 341.371 0.100 20 30 ECEDLO C#C[C@H]1CCCN(C(=O)N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1 ZINC000847350822 589243408 /nfs/dbraw/zinc/24/34/08/589243408.db2.gz UYTATJUCHBHGJD-GJZGRUSLSA-N 1 2 343.431 0.966 20 30 ECEDLO O=C(N[C@H]1CCCN(O)C1=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000848138228 589279841 /nfs/dbraw/zinc/27/98/41/589279841.db2.gz KMOAGHRSOHVUOW-HNNXBMFYSA-N 1 2 333.388 0.629 20 30 ECEDLO CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000850681197 589378673 /nfs/dbraw/zinc/37/86/73/589378673.db2.gz CAEONURARPBLLX-OAHLLOKOSA-N 1 2 341.371 0.432 20 30 ECEDLO CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000850681197 589378675 /nfs/dbraw/zinc/37/86/75/589378675.db2.gz CAEONURARPBLLX-OAHLLOKOSA-N 1 2 341.371 0.432 20 30 ECEDLO Cn1c(C[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)cc(=O)n(C)c1=O ZINC000852324909 589490853 /nfs/dbraw/zinc/49/08/53/589490853.db2.gz DQMRPBJRMOBXQK-GOSISDBHSA-N 1 2 339.399 0.536 20 30 ECEDLO Cn1c(C[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)cc(=O)n(C)c1=O ZINC000852324909 589490854 /nfs/dbraw/zinc/49/08/54/589490854.db2.gz DQMRPBJRMOBXQK-GOSISDBHSA-N 1 2 339.399 0.536 20 30 ECEDLO Cn1cc(C[C@H]2CC(=O)N(C[N@@H+]3CCC[C@H](CC#N)C3)C2=O)cn1 ZINC000853523788 589545968 /nfs/dbraw/zinc/54/59/68/589545968.db2.gz GYSCUFBCYKNXRU-HIFRSBDPSA-N 1 2 329.404 0.921 20 30 ECEDLO Cn1cc(C[C@H]2CC(=O)N(C[N@H+]3CCC[C@H](CC#N)C3)C2=O)cn1 ZINC000853523788 589545969 /nfs/dbraw/zinc/54/59/69/589545969.db2.gz GYSCUFBCYKNXRU-HIFRSBDPSA-N 1 2 329.404 0.921 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000112921209 589617623 /nfs/dbraw/zinc/61/76/23/589617623.db2.gz CRARJHWHEJTFTF-UHFFFAOYSA-N 1 2 339.395 0.840 20 30 ECEDLO COCCOCC[NH+]1CCN(C(=O)c2ccc(C#N)c(OC)c2)CC1 ZINC000855034649 589618395 /nfs/dbraw/zinc/61/83/95/589618395.db2.gz YHLRAOFTQJUZTO-UHFFFAOYSA-N 1 2 347.415 0.988 20 30 ECEDLO N#CCCNC(=O)CN(CC[NH+]1CCOCC1)c1ccccc1F ZINC000859751345 589712579 /nfs/dbraw/zinc/71/25/79/589712579.db2.gz LWUDALXOZGDCNB-UHFFFAOYSA-N 1 2 334.395 0.994 20 30 ECEDLO C=CC[C@@H](NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)c1ccncc1 ZINC000866794272 589777942 /nfs/dbraw/zinc/77/79/42/589777942.db2.gz IOUJAHJBSADVAB-LSDHHAIUSA-N 1 2 325.434 0.949 20 30 ECEDLO C=CC[C@@H](NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)c1ccncc1 ZINC000866794272 589777943 /nfs/dbraw/zinc/77/79/43/589777943.db2.gz IOUJAHJBSADVAB-LSDHHAIUSA-N 1 2 325.434 0.949 20 30 ECEDLO C#CC[N@@H+](C[C@@H](O)COc1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000859188200 589806171 /nfs/dbraw/zinc/80/61/71/589806171.db2.gz GKWAZRYELBOXAJ-HZPDHXFCSA-N 1 2 348.424 0.420 20 30 ECEDLO C#CC[N@H+](C[C@@H](O)COc1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000859188200 589806173 /nfs/dbraw/zinc/80/61/73/589806173.db2.gz GKWAZRYELBOXAJ-HZPDHXFCSA-N 1 2 348.424 0.420 20 30 ECEDLO CC[N@H+](CCS(C)(=O)=O)C[C@@H](O)COc1ccccc1C#N ZINC000859204959 589807358 /nfs/dbraw/zinc/80/73/58/589807358.db2.gz QCYXGEMGNKSEFG-CQSZACIVSA-N 1 2 326.418 0.664 20 30 ECEDLO CC[N@@H+](CCS(C)(=O)=O)C[C@@H](O)COc1ccccc1C#N ZINC000859204959 589807360 /nfs/dbraw/zinc/80/73/60/589807360.db2.gz QCYXGEMGNKSEFG-CQSZACIVSA-N 1 2 326.418 0.664 20 30 ECEDLO C#C[C@H](NC(=O)N1CC[NH+](CCc2cnccn2)CC1)[C@@H]1CCCO1 ZINC000868514934 589911240 /nfs/dbraw/zinc/91/12/40/589911240.db2.gz SFPNTXUBYZMJLA-IRXDYDNUSA-N 1 2 343.431 0.527 20 30 ECEDLO COC1CCC(C=NNC(=S)NCC[NH+]2CCOCC2)CC1 ZINC000863067485 589989446 /nfs/dbraw/zinc/98/94/46/589989446.db2.gz ZLASJXBPBJYWDH-UHFFFAOYSA-N 1 2 328.482 0.974 20 30 ECEDLO CC(=[NH+]NC1=NCC(=O)N1)c1ccc(N2CCOCC2)cc1Cl ZINC000863175907 589991675 /nfs/dbraw/zinc/99/16/75/589991675.db2.gz XSBVGKPFSAPXEV-UHFFFAOYSA-N 1 2 335.795 0.976 20 30 ECEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(c2ccc(C#N)cc2)CC1 ZINC000870096220 590000160 /nfs/dbraw/zinc/00/01/60/590000160.db2.gz MHQSUOGHDLQHFM-QGZVFWFLSA-N 1 2 328.416 0.928 20 30 ECEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(c2ccc(C#N)cc2)CC1 ZINC000870096220 590000163 /nfs/dbraw/zinc/00/01/63/590000163.db2.gz MHQSUOGHDLQHFM-QGZVFWFLSA-N 1 2 328.416 0.928 20 30 ECEDLO COc1[nH+]c(N)nc(N2CCCC2)c1C=NNC(=S)NC1CC1 ZINC000863965597 590051614 /nfs/dbraw/zinc/05/16/14/590051614.db2.gz MWNKPDNUNKHYIP-UHFFFAOYSA-N 1 2 335.437 0.628 20 30 ECEDLO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000864638725 590090399 /nfs/dbraw/zinc/09/03/99/590090399.db2.gz GGKXLWYBYHBSAT-HOTGVXAUSA-N 1 2 343.362 0.991 20 30 ECEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCNC(=O)CC23CCOCC3)c1 ZINC000872286478 590110725 /nfs/dbraw/zinc/11/07/25/590110725.db2.gz ISMFFLINTRUSAY-UHFFFAOYSA-N 1 2 342.399 0.868 20 30 ECEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCNC(=O)CC23CCOCC3)c1 ZINC000872286478 590110728 /nfs/dbraw/zinc/11/07/28/590110728.db2.gz ISMFFLINTRUSAY-UHFFFAOYSA-N 1 2 342.399 0.868 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=C1CCCC2(C1)OCCO2 ZINC000872328851 590114617 /nfs/dbraw/zinc/11/46/17/590114617.db2.gz FQAKNICUAOVUSJ-UHFFFAOYSA-N 1 2 342.465 0.456 20 30 ECEDLO O=c1[nH]ccc2oc(C=NNC(=S)NCC[NH+]3CCOCC3)cc21 ZINC000872329366 590114700 /nfs/dbraw/zinc/11/47/00/590114700.db2.gz ORXJVSOOEUUAQQ-UHFFFAOYSA-N 1 2 349.416 0.664 20 30 ECEDLO Cc1cccc(C#N)c1S(=O)(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000872452559 590117891 /nfs/dbraw/zinc/11/78/91/590117891.db2.gz AAOMSMOAXQQWGE-UHFFFAOYSA-N 1 2 337.445 0.944 20 30 ECEDLO C#CCNC(=O)c1ccccc1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865026667 590121425 /nfs/dbraw/zinc/12/14/25/590121425.db2.gz JUDUIZMQSWZBEV-YVMONPNESA-N 1 2 327.384 0.877 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C(C)(C)[C@H]2CCCCO2)CC1 ZINC000865178127 590129841 /nfs/dbraw/zinc/12/98/41/590129841.db2.gz SFQGJFDPVZOEST-MRXNPFEDSA-N 1 2 349.475 0.865 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)[C@H]2CCCCO2)CC1 ZINC000865178127 590129842 /nfs/dbraw/zinc/12/98/42/590129842.db2.gz SFQGJFDPVZOEST-MRXNPFEDSA-N 1 2 349.475 0.865 20 30 ECEDLO COC[C@@]1(C)CC(=O)N(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC000872792898 590149426 /nfs/dbraw/zinc/14/94/26/590149426.db2.gz DVNIUHPBKRRZBH-SFHVURJKSA-N 1 2 343.431 0.918 20 30 ECEDLO C[N@@H+]1CCn2nc(NC(=O)C(=O)NCC#Cc3ccccc3)cc2C1 ZINC000873748352 590200010 /nfs/dbraw/zinc/20/00/10/590200010.db2.gz AVFDXZBDEJGOPI-UHFFFAOYSA-N 1 2 337.383 0.435 20 30 ECEDLO C[N@H+]1CCn2nc(NC(=O)C(=O)NCC#Cc3ccccc3)cc2C1 ZINC000873748352 590200011 /nfs/dbraw/zinc/20/00/11/590200011.db2.gz AVFDXZBDEJGOPI-UHFFFAOYSA-N 1 2 337.383 0.435 20 30 ECEDLO C[C@@]1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC(=O)N1 ZINC000873817115 590203432 /nfs/dbraw/zinc/20/34/32/590203432.db2.gz OUWQCCSREGDVMB-SFHVURJKSA-N 1 2 326.400 0.871 20 30 ECEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000874348281 590233735 /nfs/dbraw/zinc/23/37/35/590233735.db2.gz IGKAVBGOJGAVTL-AWEZNQCLSA-N 1 2 348.378 0.863 20 30 ECEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000874348281 590233737 /nfs/dbraw/zinc/23/37/37/590233737.db2.gz IGKAVBGOJGAVTL-AWEZNQCLSA-N 1 2 348.378 0.863 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879763729 590342300 /nfs/dbraw/zinc/34/23/00/590342300.db2.gz PTXIKGQNVMOYTK-MFKMUULPSA-N 1 2 334.342 0.890 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879763729 590342303 /nfs/dbraw/zinc/34/23/03/590342303.db2.gz PTXIKGQNVMOYTK-MFKMUULPSA-N 1 2 334.342 0.890 20 30 ECEDLO N#CCCN(C(=O)C[N@@H+](CC(N)=O)C1CCOCC1)c1ccccc1 ZINC000880391763 590388808 /nfs/dbraw/zinc/38/88/08/590388808.db2.gz XBHIGGDNMAJHMG-UHFFFAOYSA-N 1 2 344.415 0.900 20 30 ECEDLO N#CCCN(C(=O)C[N@H+](CC(N)=O)C1CCOCC1)c1ccccc1 ZINC000880391763 590388811 /nfs/dbraw/zinc/38/88/11/590388811.db2.gz XBHIGGDNMAJHMG-UHFFFAOYSA-N 1 2 344.415 0.900 20 30 ECEDLO C#CCCCCCC[N@H+]1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)OC ZINC000877646519 590475848 /nfs/dbraw/zinc/47/58/48/590475848.db2.gz JLTJAHFBCJPXAA-KBPBESRZSA-N 1 2 335.404 0.738 20 30 ECEDLO C#CCCCCCC[N@@H+]1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)OC ZINC000877646519 590475850 /nfs/dbraw/zinc/47/58/50/590475850.db2.gz JLTJAHFBCJPXAA-KBPBESRZSA-N 1 2 335.404 0.738 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)[C@H](CCC)C(=O)OCC)CC1 ZINC000881811920 590476184 /nfs/dbraw/zinc/47/61/84/590476184.db2.gz VOVZROOSKOGOKC-CQSZACIVSA-N 1 2 330.450 0.689 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](CC(=O)Nc2ccnn2CCC)CC1 ZINC000878019592 590492711 /nfs/dbraw/zinc/49/27/11/590492711.db2.gz WOIMPRMOHNRUQK-UHFFFAOYSA-N 1 2 331.420 0.693 20 30 ECEDLO C=CC[C@H](C(=O)OC)[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000878559395 590528612 /nfs/dbraw/zinc/52/86/12/590528612.db2.gz FQQAIBPZJMHHKS-CQSZACIVSA-N 1 2 330.450 0.994 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccn3nccc23)CC1 ZINC000878737140 590539190 /nfs/dbraw/zinc/53/91/90/590539190.db2.gz FIVDMIGOXSKRSC-UHFFFAOYSA-N 1 2 339.399 0.232 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccn3nccc23)CC1 ZINC000878737140 590539191 /nfs/dbraw/zinc/53/91/91/590539191.db2.gz FIVDMIGOXSKRSC-UHFFFAOYSA-N 1 2 339.399 0.232 20 30 ECEDLO N#Cc1cnc(N2CC3(C2)CC(=O)NCC[NH2+]3)c(Br)c1 ZINC000882683582 590574840 /nfs/dbraw/zinc/57/48/40/590574840.db2.gz KHYCQVJJWYYHBN-UHFFFAOYSA-N 1 2 336.193 0.384 20 30 ECEDLO C=C(C)C[C@@H](CO)NC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000883797763 590668088 /nfs/dbraw/zinc/66/80/88/590668088.db2.gz KFDQLSCFPXJROD-IRXDYDNUSA-N 1 2 348.447 0.909 20 30 ECEDLO C=C(C)C[C@@H](CO)NC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000883797763 590668092 /nfs/dbraw/zinc/66/80/92/590668092.db2.gz KFDQLSCFPXJROD-IRXDYDNUSA-N 1 2 348.447 0.909 20 30 ECEDLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(CCC#N)cc1 ZINC000885227280 590697432 /nfs/dbraw/zinc/69/74/32/590697432.db2.gz IBKQZQUWFBPUAQ-AWEZNQCLSA-N 1 2 337.445 0.830 20 30 ECEDLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(CCC#N)cc1 ZINC000885227280 590697437 /nfs/dbraw/zinc/69/74/37/590697437.db2.gz IBKQZQUWFBPUAQ-AWEZNQCLSA-N 1 2 337.445 0.830 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 ZINC000884091820 590737004 /nfs/dbraw/zinc/73/70/04/590737004.db2.gz KXEYNICGSKKWSD-AWEZNQCLSA-N 1 2 339.436 0.538 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c[nH+]1 ZINC000886210257 590815182 /nfs/dbraw/zinc/81/51/82/590815182.db2.gz LFMMHFFSVNXZAL-IUODEOHRSA-N 1 2 336.417 0.323 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)NCCC(C)(C)S(C)(=O)=O)C1 ZINC000884415535 590823125 /nfs/dbraw/zinc/82/31/25/590823125.db2.gz YHPLVXYGKMKFAF-CYBMUJFWSA-N 1 2 329.466 0.597 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCC(C)(C)S(C)(=O)=O)C1 ZINC000884415535 590823129 /nfs/dbraw/zinc/82/31/29/590823129.db2.gz YHPLVXYGKMKFAF-CYBMUJFWSA-N 1 2 329.466 0.597 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2OC)C1 ZINC000946632598 611376336 /nfs/dbraw/zinc/37/63/36/611376336.db2.gz IXXZRYNUTTWCSF-CHWSQXEVSA-N 1 2 332.404 0.651 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000948102881 611429148 /nfs/dbraw/zinc/42/91/48/611429148.db2.gz XIIGOXCPNBDTDH-MRVWCRGKSA-N 1 2 329.404 0.790 20 30 ECEDLO COC(OC)C(=O)N1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000930959194 611489702 /nfs/dbraw/zinc/48/97/02/611489702.db2.gz SHHBLCJUBVKXQF-UHFFFAOYSA-N 1 2 333.388 0.700 20 30 ECEDLO N#Cc1ccc(F)c(CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000931594234 611551942 /nfs/dbraw/zinc/55/19/42/611551942.db2.gz OPPBZXNOTBMRSA-UHFFFAOYSA-N 1 2 330.363 0.620 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)c2cccc(O)c2)CC1 ZINC000932038124 611594827 /nfs/dbraw/zinc/59/48/27/611594827.db2.gz HXJAPLPUCVDVQU-OAHLLOKOSA-N 1 2 343.427 0.779 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)c2cccc(O)c2)CC1 ZINC000932038124 611594829 /nfs/dbraw/zinc/59/48/29/611594829.db2.gz HXJAPLPUCVDVQU-OAHLLOKOSA-N 1 2 343.427 0.779 20 30 ECEDLO C#CC[N@H+](CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)C(C)C ZINC000932396336 611622162 /nfs/dbraw/zinc/62/21/62/611622162.db2.gz PPALLPZQVBIWLS-UHFFFAOYSA-N 1 2 334.420 0.862 20 30 ECEDLO C#CC[N@@H+](CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)C(C)C ZINC000932396336 611622165 /nfs/dbraw/zinc/62/21/65/611622165.db2.gz PPALLPZQVBIWLS-UHFFFAOYSA-N 1 2 334.420 0.862 20 30 ECEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000937350281 608609691 /nfs/dbraw/zinc/60/96/91/608609691.db2.gz SEGUWIVPWDAZHP-RBSFLKMASA-N 1 2 326.400 0.986 20 30 ECEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000937350281 608609693 /nfs/dbraw/zinc/60/96/93/608609693.db2.gz SEGUWIVPWDAZHP-RBSFLKMASA-N 1 2 326.400 0.986 20 30 ECEDLO C#CCCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000178500397 608911740 /nfs/dbraw/zinc/91/17/40/608911740.db2.gz OTMKUUVNGVRDHH-UHFFFAOYSA-N 1 2 330.388 0.695 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1cn(C)nn1 ZINC000947205318 608919442 /nfs/dbraw/zinc/91/94/42/608919442.db2.gz OUONLBGVJGJPTF-WCQYABFASA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1cn(C)nn1 ZINC000947205318 608919444 /nfs/dbraw/zinc/91/94/44/608919444.db2.gz OUONLBGVJGJPTF-WCQYABFASA-N 1 2 327.392 0.798 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)nn1 ZINC000937971533 609442823 /nfs/dbraw/zinc/44/28/23/609442823.db2.gz WMPSLSCIWHCZTQ-LBPRGKRZSA-N 1 2 343.391 0.151 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cc(C(=O)OC)cn2C)C1 ZINC000919874758 609664737 /nfs/dbraw/zinc/66/47/37/609664737.db2.gz DQFJTVBGMCFKGM-ZDUSSCGKSA-N 1 2 339.417 0.188 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(C(=O)OC)cn2C)C1 ZINC000919874758 609664738 /nfs/dbraw/zinc/66/47/38/609664738.db2.gz DQFJTVBGMCFKGM-ZDUSSCGKSA-N 1 2 339.417 0.188 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cccc(OC)c2C)CC1 ZINC000930119741 609674524 /nfs/dbraw/zinc/67/45/24/609674524.db2.gz VLNZSNNUTMKQRJ-UHFFFAOYSA-N 1 2 337.445 0.589 20 30 ECEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000928645584 611706641 /nfs/dbraw/zinc/70/66/41/611706641.db2.gz ZOKNWMSPBCCMRL-INIZCTEOSA-N 1 2 344.415 0.515 20 30 ECEDLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NCC#CCO)C1 ZINC000923762462 609700907 /nfs/dbraw/zinc/70/09/07/609700907.db2.gz GVPUCCNALPSOQS-KRWDZBQOSA-N 1 2 330.432 0.098 20 30 ECEDLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NCC#CCO)C1 ZINC000923762462 609700909 /nfs/dbraw/zinc/70/09/09/609700909.db2.gz GVPUCCNALPSOQS-KRWDZBQOSA-N 1 2 330.432 0.098 20 30 ECEDLO N#Cc1cncc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c1 ZINC000921321739 609703229 /nfs/dbraw/zinc/70/32/29/609703229.db2.gz JGOVCSRCYWNYTD-UONOGXRCSA-N 1 2 338.458 0.811 20 30 ECEDLO N#Cc1cncc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)c1 ZINC000921321739 609703230 /nfs/dbraw/zinc/70/32/30/609703230.db2.gz JGOVCSRCYWNYTD-UONOGXRCSA-N 1 2 338.458 0.811 20 30 ECEDLO C#CC[N@@H+](CC#CC)C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000929720108 609804515 /nfs/dbraw/zinc/80/45/15/609804515.db2.gz LIGNHUXJWHTFOV-HNNXBMFYSA-N 1 2 340.489 0.946 20 30 ECEDLO C#CC[N@H+](CC#CC)C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000929720108 609804517 /nfs/dbraw/zinc/80/45/17/609804517.db2.gz LIGNHUXJWHTFOV-HNNXBMFYSA-N 1 2 340.489 0.946 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000938604433 609896406 /nfs/dbraw/zinc/89/64/06/609896406.db2.gz VJQPMNRCXADJPS-KFWWJZLASA-N 1 2 346.431 0.993 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1csc(C#N)c1 ZINC000916417226 609939288 /nfs/dbraw/zinc/93/92/88/609939288.db2.gz PDJFLIOJYSSURM-NWDGAFQWSA-N 1 2 343.474 0.836 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1csc(C#N)c1 ZINC000916417226 609939290 /nfs/dbraw/zinc/93/92/90/609939290.db2.gz PDJFLIOJYSSURM-NWDGAFQWSA-N 1 2 343.474 0.836 20 30 ECEDLO N#Cc1cc(CS(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cs1 ZINC000916615392 609944009 /nfs/dbraw/zinc/94/40/09/609944009.db2.gz WADFVKCEELYRFT-GFCCVEGCSA-N 1 2 327.431 0.200 20 30 ECEDLO N#Cc1cc(CS(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cs1 ZINC000916615392 609944010 /nfs/dbraw/zinc/94/40/10/609944010.db2.gz WADFVKCEELYRFT-GFCCVEGCSA-N 1 2 327.431 0.200 20 30 ECEDLO C#C[C@@H](NC(=O)c1cccn1CC[NH+]1CCOCC1)C1CCOCC1 ZINC000912693074 609990835 /nfs/dbraw/zinc/99/08/35/609990835.db2.gz RPVSBMSYNYIOMB-QGZVFWFLSA-N 1 2 345.443 0.979 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000912897785 610018304 /nfs/dbraw/zinc/01/83/04/610018304.db2.gz YNEKTLDHGYOYNH-AWEZNQCLSA-N 1 2 325.409 0.022 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000912897785 610018307 /nfs/dbraw/zinc/01/83/07/610018307.db2.gz YNEKTLDHGYOYNH-AWEZNQCLSA-N 1 2 325.409 0.022 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000938908560 610031911 /nfs/dbraw/zinc/03/19/11/610031911.db2.gz TZRIMHVHOPKCNU-IMJJTQAJSA-N 1 2 346.431 0.613 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000939910720 610165665 /nfs/dbraw/zinc/16/56/65/610165665.db2.gz OAPZTURKCJCAAE-KFWWJZLASA-N 1 2 332.404 0.603 20 30 ECEDLO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCc4c[nH]nc43)CC2)C1 ZINC000941410854 610302091 /nfs/dbraw/zinc/30/20/91/610302091.db2.gz PEKKYHKWTLYKIT-QGZVFWFLSA-N 1 2 341.459 0.681 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3ccn(CC)n3)CC2)C1 ZINC000941416548 610304185 /nfs/dbraw/zinc/30/41/85/610304185.db2.gz DTABLOBZRRAFDT-UHFFFAOYSA-N 1 2 329.448 0.297 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c(C)[nH]cc3NC(C)=O)CC2)C1 ZINC000941467758 610328352 /nfs/dbraw/zinc/32/83/52/610328352.db2.gz IWSDWLRGRGALKD-UHFFFAOYSA-N 1 2 343.431 0.357 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnn(C)c3CCC)CC2)C1 ZINC000941472121 610330669 /nfs/dbraw/zinc/33/06/69/610330669.db2.gz UQKVZPDCKPVTCY-UHFFFAOYSA-N 1 2 329.448 0.448 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cccc4nccn43)CC2)C1 ZINC000941485440 610337743 /nfs/dbraw/zinc/33/77/43/610337743.db2.gz QWNFOZLZVBWWDE-UHFFFAOYSA-N 1 2 337.427 0.800 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(=O)c(OC)co3)CC2)C1 ZINC000941487593 610338684 /nfs/dbraw/zinc/33/86/84/610338684.db2.gz OHBBPABQPUMDBE-UHFFFAOYSA-N 1 2 345.399 0.114 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c(C)c(C)n[nH]c3=O)CC2)C1 ZINC000941512745 610352399 /nfs/dbraw/zinc/35/23/99/610352399.db2.gz XJXFPCKFJBXWFP-UHFFFAOYSA-N 1 2 343.431 0.264 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000940785716 610361259 /nfs/dbraw/zinc/36/12/59/610361259.db2.gz BABXKLHIZRMJBE-UHFFFAOYSA-N 1 2 340.387 0.835 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)Oc3cccnc3)CC2)C1 ZINC000941559710 610382249 /nfs/dbraw/zinc/38/22/49/610382249.db2.gz KVESJRFIQWCSOA-INIZCTEOSA-N 1 2 342.443 0.701 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(CC)nn3C)CC2)C1 ZINC000941615435 610410813 /nfs/dbraw/zinc/41/08/13/610410813.db2.gz XCYQRDKYUPIAQP-UHFFFAOYSA-N 1 2 329.448 0.448 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000940872940 610421009 /nfs/dbraw/zinc/42/10/09/610421009.db2.gz HHFDKEPXCKEGKZ-UONOGXRCSA-N 1 2 326.462 0.661 20 30 ECEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000940872940 610421011 /nfs/dbraw/zinc/42/10/11/610421011.db2.gz HHFDKEPXCKEGKZ-UONOGXRCSA-N 1 2 326.462 0.661 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3Cc4c(cccc4C)O3)CC2)C1 ZINC000941640855 610421670 /nfs/dbraw/zinc/42/16/70/610421670.db2.gz GKQNXSWQRLTEFE-IBGZPJMESA-N 1 2 339.439 0.760 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c[nH]nc3C(C)(C)C)CC2)C1 ZINC000941636870 610422813 /nfs/dbraw/zinc/42/28/13/610422813.db2.gz WRWXMFJFJMSZAE-UHFFFAOYSA-N 1 2 329.448 0.782 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCCN(C(=O)Cc3c[nH+]c[nH]3)CC2)c1 ZINC000942415121 610440555 /nfs/dbraw/zinc/44/05/55/610440555.db2.gz JVOBGOLZVWUGFU-UHFFFAOYSA-N 1 2 337.383 0.703 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3nncn3C)C[C@H]2C)c1 ZINC000942618779 610537745 /nfs/dbraw/zinc/53/77/45/610537745.db2.gz WVFLMMBCSLSXGV-CZUORRHYSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3nncn3C)C[C@H]2C)c1 ZINC000942618779 610537746 /nfs/dbraw/zinc/53/77/46/610537746.db2.gz WVFLMMBCSLSXGV-CZUORRHYSA-N 1 2 338.415 0.832 20 30 ECEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000942742960 610594688 /nfs/dbraw/zinc/59/46/88/610594688.db2.gz DZLRAITUALQJKB-AWEZNQCLSA-N 1 2 340.387 0.915 20 30 ECEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000942752455 610599544 /nfs/dbraw/zinc/59/95/44/610599544.db2.gz QBXZZLLYRNLWTQ-AWEZNQCLSA-N 1 2 340.387 0.915 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000941271588 610633382 /nfs/dbraw/zinc/63/33/82/610633382.db2.gz MAPRUFLGDDHBHG-OAHLLOKOSA-N 1 2 327.384 0.763 20 30 ECEDLO Cc1cncc(C[NH+]2CC(N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)c1 ZINC000941348864 610685515 /nfs/dbraw/zinc/68/55/15/610685515.db2.gz REHWKESUVKOYPG-HNNXBMFYSA-N 1 2 327.432 0.878 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(C)n(C(F)F)n3)CC2)C1 ZINC000941423844 610724115 /nfs/dbraw/zinc/72/41/15/610724115.db2.gz CTSDFEGIPPNIAZ-UHFFFAOYSA-N 1 2 337.374 0.662 20 30 ECEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)C2CCS(=O)(=O)CC2)[C@@H](C)C1 ZINC000943229477 610755614 /nfs/dbraw/zinc/75/56/14/610755614.db2.gz CPUZYYOJAKWBJI-ZFWWWQNUSA-N 1 2 326.462 0.661 20 30 ECEDLO CC#CC[N@H+]1CC[C@H](NC(=O)C2CCS(=O)(=O)CC2)[C@@H](C)C1 ZINC000943229477 610755617 /nfs/dbraw/zinc/75/56/17/610755617.db2.gz CPUZYYOJAKWBJI-ZFWWWQNUSA-N 1 2 326.462 0.661 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nncn3C)C[C@@H]2C)cn1 ZINC000944213846 610785835 /nfs/dbraw/zinc/78/58/35/610785835.db2.gz GSVLFQQDKKUEGO-BBRMVZONSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nncn3C)C[C@@H]2C)cn1 ZINC000944213846 610785838 /nfs/dbraw/zinc/78/58/38/610785838.db2.gz GSVLFQQDKKUEGO-BBRMVZONSA-N 1 2 338.415 0.832 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC000944961665 610858207 /nfs/dbraw/zinc/85/82/07/610858207.db2.gz DZFAPNRLISKXID-CYBMUJFWSA-N 1 2 329.404 0.953 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC000944961665 610858209 /nfs/dbraw/zinc/85/82/09/610858209.db2.gz DZFAPNRLISKXID-CYBMUJFWSA-N 1 2 329.404 0.953 20 30 ECEDLO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000945279277 610994768 /nfs/dbraw/zinc/99/47/68/610994768.db2.gz LKJGMVPOYHOBPZ-BXUZGUMPSA-N 1 2 340.387 0.819 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)Cn2cc[nH+]c2)nc1 ZINC000944106438 611126743 /nfs/dbraw/zinc/12/67/43/611126743.db2.gz NJPIRJHXOUSYAZ-OAHLLOKOSA-N 1 2 337.383 0.680 20 30 ECEDLO O=C(N[C@H]1CCN(O)C1=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000816693278 611283614 /nfs/dbraw/zinc/28/36/14/611283614.db2.gz HRLJWAZQUCTCAD-JTQLQIEISA-N 1 2 331.288 0.500 20 30 ECEDLO C=CCN1CCN(C[N@H+]2CC[C@](C(=O)NC)(C(F)(F)F)C2)C1=O ZINC000842638358 611318418 /nfs/dbraw/zinc/31/84/18/611318418.db2.gz JQUWWSSRJDAWBA-ZDUSSCGKSA-N 1 2 334.342 0.868 20 30 ECEDLO C=CCN1CCN(C[N@@H+]2CC[C@](C(=O)NC)(C(F)(F)F)C2)C1=O ZINC000842638358 611318420 /nfs/dbraw/zinc/31/84/20/611318420.db2.gz JQUWWSSRJDAWBA-ZDUSSCGKSA-N 1 2 334.342 0.868 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN2C(=O)CCc2[nH]cc[nH+]2)c1 ZINC000949282833 611927495 /nfs/dbraw/zinc/92/74/95/611927495.db2.gz AEEUTRDFAJZCAZ-LBPRGKRZSA-N 1 2 326.360 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ZINC000950466174 612031021 /nfs/dbraw/zinc/03/10/21/612031021.db2.gz LSUQPCAGPBWXJX-UHFFFAOYSA-N 1 2 329.400 0.720 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)nc1 ZINC000951376633 612192757 /nfs/dbraw/zinc/19/27/57/612192757.db2.gz HUXLHQYZYVKOGU-RRFJBIMHSA-N 1 2 349.394 0.920 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)nc1 ZINC000951376633 612192758 /nfs/dbraw/zinc/19/27/58/612192758.db2.gz HUXLHQYZYVKOGU-RRFJBIMHSA-N 1 2 349.394 0.920 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000953330677 612252256 /nfs/dbraw/zinc/25/22/56/612252256.db2.gz FKKBICLGOOPPBF-HUUCEWRRSA-N 1 2 326.400 0.815 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+](CCN2CCCC2=O)C1 ZINC000951785201 612610515 /nfs/dbraw/zinc/61/05/15/612610515.db2.gz CLEUYBWZBCISLQ-CVEARBPZSA-N 1 2 335.448 0.733 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000955618400 612711060 /nfs/dbraw/zinc/71/10/60/612711060.db2.gz PHNRCESLDJLKLF-WCQYABFASA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000955631448 612719934 /nfs/dbraw/zinc/71/99/34/612719934.db2.gz PENYLPXNBJKXLM-WCQYABFASA-N 1 2 340.387 0.961 20 30 ECEDLO CC1(NC(=O)c2cc(C#N)c[nH]2)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000956331380 612838950 /nfs/dbraw/zinc/83/89/50/612838950.db2.gz QWNMHHISWLPBIX-UHFFFAOYSA-N 1 2 340.387 0.894 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccn4nnnc34)C2)C1 ZINC000972394471 736114602 /nfs/dbraw/zinc/11/46/02/736114602.db2.gz IJOXFSHOGWPEHF-QGZVFWFLSA-N 1 2 340.387 0.065 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccn4nnnc34)C2)C1 ZINC000972394471 736114604 /nfs/dbraw/zinc/11/46/04/736114604.db2.gz IJOXFSHOGWPEHF-QGZVFWFLSA-N 1 2 340.387 0.065 20 30 ECEDLO CN(C)c1noc(C[NH2+][C@H]2CCCN(C(=O)CSCC#N)C2)n1 ZINC001207409528 738525554 /nfs/dbraw/zinc/52/55/54/738525554.db2.gz GUSZKSNGDYWLKP-NSHDSACASA-N 1 2 338.437 0.473 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(OCC)no2)[C@@H](n2ccnn2)C1 ZINC001069980322 790273800 /nfs/dbraw/zinc/27/38/00/790273800.db2.gz OLLRVUONCOOEFQ-NEPJUHHUSA-N 1 2 332.364 0.506 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(OCC)no2)[C@@H](n2ccnn2)C1 ZINC001069980322 790273805 /nfs/dbraw/zinc/27/38/05/790273805.db2.gz OLLRVUONCOOEFQ-NEPJUHHUSA-N 1 2 332.364 0.506 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC000969464944 731911657 /nfs/dbraw/zinc/91/16/57/731911657.db2.gz ZOGVDVYHFMEZJP-IYBDPMFKSA-N 1 2 326.400 0.888 20 30 ECEDLO COc1nccc(C[NH+]2CC([C@H](C)NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000969525798 731948551 /nfs/dbraw/zinc/94/85/51/731948551.db2.gz GLARPWICWRKVMW-NSHDSACASA-N 1 2 340.387 0.935 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CC([C@@H](C)NC(=O)c3ncccc3O)C2)C1=O ZINC000969542722 731962012 /nfs/dbraw/zinc/96/20/12/731962012.db2.gz HROQLDWVDHTWPW-TZMCWYRMSA-N 1 2 344.415 0.624 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2nc(CC(=O)NC)no2)C1 ZINC000969563674 731971655 /nfs/dbraw/zinc/97/16/55/731971655.db2.gz HPNCQHDSRGYKAN-GFCCVEGCSA-N 1 2 349.435 0.651 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC000969787732 732348994 /nfs/dbraw/zinc/34/89/94/732348994.db2.gz FVGNIISPRYOIGU-QWHCGFSZSA-N 1 2 343.855 0.670 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)[C@H]2C1 ZINC001083198318 733094143 /nfs/dbraw/zinc/09/41/43/733094143.db2.gz NNBRBPDQHHSNTB-TXCZRRACSA-N 1 2 328.416 0.459 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)[C@H]2C1 ZINC001083198318 733094147 /nfs/dbraw/zinc/09/41/47/733094147.db2.gz NNBRBPDQHHSNTB-TXCZRRACSA-N 1 2 328.416 0.459 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3conc3C)C[C@@H]21 ZINC001083198746 733102617 /nfs/dbraw/zinc/10/26/17/733102617.db2.gz OWTAADDMLFRKBU-LTIDMASMSA-N 1 2 347.415 0.986 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](Cc3conc3C)C[C@@H]21 ZINC001083198746 733102619 /nfs/dbraw/zinc/10/26/19/733102619.db2.gz OWTAADDMLFRKBU-LTIDMASMSA-N 1 2 347.415 0.986 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccnc(-n4ccnc4)c3)[C@H]2C1 ZINC001083278573 738686175 /nfs/dbraw/zinc/68/61/75/738686175.db2.gz DUNAMUIJWRKIPU-JKSUJKDBSA-N 1 2 337.383 0.426 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccnc(-n4ccnc4)c3)[C@H]2C1 ZINC001083278573 738686177 /nfs/dbraw/zinc/68/61/77/738686177.db2.gz DUNAMUIJWRKIPU-JKSUJKDBSA-N 1 2 337.383 0.426 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001078119733 782331914 /nfs/dbraw/zinc/33/19/14/782331914.db2.gz DGDWKYQIWYZNPI-HZPDHXFCSA-N 1 2 338.367 0.634 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001078119733 782331927 /nfs/dbraw/zinc/33/19/27/782331927.db2.gz DGDWKYQIWYZNPI-HZPDHXFCSA-N 1 2 338.367 0.634 20 30 ECEDLO C[C@H](NC(=O)[C@H]1CCNC1=O)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970268032 733281841 /nfs/dbraw/zinc/28/18/41/733281841.db2.gz KNGIPEWHNKAOEU-NHYWBVRUSA-N 1 2 344.390 0.770 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H](C)C2C[NH+](Cc3cnnn3CC)C2)c1 ZINC000970399986 733471193 /nfs/dbraw/zinc/47/11/93/733471193.db2.gz WLRIDHQGYBXMRV-ZDUSSCGKSA-N 1 2 338.415 0.925 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H](C)C2C[NH+](Cc3snnc3C)C2)nn1 ZINC000970544310 733661131 /nfs/dbraw/zinc/66/11/31/733661131.db2.gz JUMUTUOGOHULMK-SNVBAGLBSA-N 1 2 347.448 0.874 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H](C)C2C[NH+](Cc3cnnn3C)C2)nn1 ZINC000970553500 733669263 /nfs/dbraw/zinc/66/92/63/733669263.db2.gz XKJACRMLTMPCMP-GFCCVEGCSA-N 1 2 344.423 0.233 20 30 ECEDLO C=CCCOCC(=O)N(CCO)CCNc1[nH+]cnc2c1cnn2C ZINC001111483234 733962012 /nfs/dbraw/zinc/96/20/12/733962012.db2.gz VNRORQLWIIQOBD-UHFFFAOYSA-N 1 2 348.407 0.189 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1c1cnc(C#N)cn1 ZINC001067577478 734551998 /nfs/dbraw/zinc/55/19/98/734551998.db2.gz KKVZKZWSROLMNE-VXGBXAGGSA-N 1 2 325.376 0.788 20 30 ECEDLO N#Cc1cnc(N2CCO[C@H](CNC(=O)CCc3c[nH]c[nH+]3)C2)cn1 ZINC001104352953 734596035 /nfs/dbraw/zinc/59/60/35/734596035.db2.gz LXHYIFBYENRJOJ-CQSZACIVSA-N 1 2 341.375 0.026 20 30 ECEDLO N#Cc1cnc(N2CCO[C@H](CNC(=O)CCc3c[nH+]c[nH]3)C2)cn1 ZINC001104352953 734596038 /nfs/dbraw/zinc/59/60/38/734596038.db2.gz LXHYIFBYENRJOJ-CQSZACIVSA-N 1 2 341.375 0.026 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000971451322 734608905 /nfs/dbraw/zinc/60/89/05/734608905.db2.gz LHMZMDOKJOKKGE-NXEZZACHSA-N 1 2 332.198 0.536 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000971451322 734608909 /nfs/dbraw/zinc/60/89/09/734608909.db2.gz LHMZMDOKJOKKGE-NXEZZACHSA-N 1 2 332.198 0.536 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cnnn2C)C1 ZINC000971555405 734744097 /nfs/dbraw/zinc/74/40/97/734744097.db2.gz DYHHFODSXKDDFW-BMFZPTHFSA-N 1 2 333.436 0.829 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cnnn2C)C1 ZINC000971555405 734744101 /nfs/dbraw/zinc/74/41/01/734744101.db2.gz DYHHFODSXKDDFW-BMFZPTHFSA-N 1 2 333.436 0.829 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2nccn2)C1 ZINC000971604730 734792898 /nfs/dbraw/zinc/79/28/98/734792898.db2.gz IXYSCLXVDCZJDT-NSHDSACASA-N 1 2 328.214 0.719 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)Cn2nccn2)C1 ZINC000971604730 734792899 /nfs/dbraw/zinc/79/28/99/734792899.db2.gz IXYSCLXVDCZJDT-NSHDSACASA-N 1 2 328.214 0.719 20 30 ECEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)C(C)(C)C#N ZINC001143398202 734875855 /nfs/dbraw/zinc/87/58/55/734875855.db2.gz CZBJDDAOSQTNTR-CXAGYDPISA-N 1 2 337.420 0.791 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2nccnc2C)C1 ZINC000971703368 734965009 /nfs/dbraw/zinc/96/50/09/734965009.db2.gz FUGKAPCZUKXTJF-WMZOPIPTSA-N 1 2 341.459 0.915 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2nccnc2C)C1 ZINC000971703368 734965013 /nfs/dbraw/zinc/96/50/13/734965013.db2.gz FUGKAPCZUKXTJF-WMZOPIPTSA-N 1 2 341.459 0.915 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)OCCC(C)C)C2 ZINC001111490116 735111428 /nfs/dbraw/zinc/11/14/28/735111428.db2.gz UOXJXQRBMXPGBH-HZMVEIRTSA-N 1 2 349.475 0.909 20 30 ECEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)OCCC(C)C)C2 ZINC001111490116 735111430 /nfs/dbraw/zinc/11/14/30/735111430.db2.gz UOXJXQRBMXPGBH-HZMVEIRTSA-N 1 2 349.475 0.909 20 30 ECEDLO C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001041960763 782498016 /nfs/dbraw/zinc/49/80/16/782498016.db2.gz UPPKEERYABKYSP-GFCCVEGCSA-N 1 2 332.404 0.485 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3cccc(COC)c3)[C@H]2C1 ZINC001083245462 735798877 /nfs/dbraw/zinc/79/88/77/735798877.db2.gz SMOGQIUVWFUCFL-ZWKOTPCHSA-N 1 2 328.412 0.920 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3cccc(COC)c3)[C@H]2C1 ZINC001083245462 735798878 /nfs/dbraw/zinc/79/88/78/735798878.db2.gz SMOGQIUVWFUCFL-ZWKOTPCHSA-N 1 2 328.412 0.920 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(OC)ncn3)C2)C1 ZINC000972380370 736048683 /nfs/dbraw/zinc/04/86/83/736048683.db2.gz GKWHRAUQQIIZOC-KRWDZBQOSA-N 1 2 330.388 0.425 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(OC)ncn3)C2)C1 ZINC000972380370 736048686 /nfs/dbraw/zinc/04/86/86/736048686.db2.gz GKWHRAUQQIIZOC-KRWDZBQOSA-N 1 2 330.388 0.425 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn(CCOC)nc3C)C2)C1 ZINC000972380947 736049995 /nfs/dbraw/zinc/04/99/95/736049995.db2.gz NADPVJYBIUFMAN-GOSISDBHSA-N 1 2 348.447 0.941 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn(CCOC)nc3C)C2)C1 ZINC000972380947 736049998 /nfs/dbraw/zinc/04/99/98/736049998.db2.gz NADPVJYBIUFMAN-GOSISDBHSA-N 1 2 348.447 0.941 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3cnn(C)c3C)C2)C1 ZINC000972404874 736128991 /nfs/dbraw/zinc/12/89/91/736128991.db2.gz AJGDWCVMRBMNFU-SFHVURJKSA-N 1 2 330.432 0.598 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cnn(C)c3C)C2)C1 ZINC000972404874 736128992 /nfs/dbraw/zinc/12/89/92/736128992.db2.gz AJGDWCVMRBMNFU-SFHVURJKSA-N 1 2 330.432 0.598 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc(C)nc3OC)C2)C1 ZINC000972404222 736132044 /nfs/dbraw/zinc/13/20/44/736132044.db2.gz AFVRLSKFPYKGNW-GOSISDBHSA-N 1 2 344.415 0.734 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc(C)nc3OC)C2)C1 ZINC000972404222 736132048 /nfs/dbraw/zinc/13/20/48/736132048.db2.gz AFVRLSKFPYKGNW-GOSISDBHSA-N 1 2 344.415 0.734 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 ZINC000972406122 736138857 /nfs/dbraw/zinc/13/88/57/736138857.db2.gz YUGANSRKERNMQZ-SFHVURJKSA-N 1 2 345.447 0.973 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 ZINC000972406122 736138859 /nfs/dbraw/zinc/13/88/59/736138859.db2.gz YUGANSRKERNMQZ-SFHVURJKSA-N 1 2 345.447 0.973 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(CC)CCNC3=O)C2)C1 ZINC000972423954 736170851 /nfs/dbraw/zinc/17/08/51/736170851.db2.gz WWAMLOMCMAGJRD-ZWKOTPCHSA-N 1 2 333.432 0.229 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(CC)CCNC3=O)C2)C1 ZINC000972423954 736170853 /nfs/dbraw/zinc/17/08/53/736170853.db2.gz WWAMLOMCMAGJRD-ZWKOTPCHSA-N 1 2 333.432 0.229 20 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736212554 /nfs/dbraw/zinc/21/25/54/736212554.db2.gz YJJCZEFXDSSLNN-LADRWXRNSA-N 1 2 347.459 0.605 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)C2)C1 ZINC000972455458 736241784 /nfs/dbraw/zinc/24/17/84/736241784.db2.gz CXHMOFAHXVJRNT-SJLPKXTDSA-N 1 2 335.448 0.734 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)C2)C1 ZINC000972455458 736241785 /nfs/dbraw/zinc/24/17/85/736241785.db2.gz CXHMOFAHXVJRNT-SJLPKXTDSA-N 1 2 335.448 0.734 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccnc(OC)n3)C2)C1 ZINC000972460099 736255311 /nfs/dbraw/zinc/25/53/11/736255311.db2.gz BPKYKCFUULHOMN-QGZVFWFLSA-N 1 2 330.388 0.425 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccnc(OC)n3)C2)C1 ZINC000972460099 736255318 /nfs/dbraw/zinc/25/53/18/736255318.db2.gz BPKYKCFUULHOMN-QGZVFWFLSA-N 1 2 330.388 0.425 20 30 ECEDLO N#Cc1nccnc1NCC1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001067487376 736558636 /nfs/dbraw/zinc/55/86/36/736558636.db2.gz QAAAEPGTLJPDAK-UHFFFAOYSA-N 1 2 341.375 0.079 20 30 ECEDLO CC(C)N(CCN(C)c1ccnc(C#N)n1)C(=O)Cc1c[nH+]c[nH]1 ZINC001125686679 736633385 /nfs/dbraw/zinc/63/33/85/736633385.db2.gz HXJYIDQTMATERR-UHFFFAOYSA-N 1 2 327.392 0.987 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001023319929 736680194 /nfs/dbraw/zinc/68/01/94/736680194.db2.gz JOWNFXKNVDCBJA-NWDGAFQWSA-N 1 2 342.407 0.613 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@H+]1CCC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001023319929 736680197 /nfs/dbraw/zinc/68/01/97/736680197.db2.gz JOWNFXKNVDCBJA-NWDGAFQWSA-N 1 2 342.407 0.613 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3nnc4c3CCCC4)C2)C1 ZINC000972554666 736731471 /nfs/dbraw/zinc/73/14/71/736731471.db2.gz SKAZREICLBBBLQ-SFHVURJKSA-N 1 2 345.447 0.646 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3nnc4c3CCCC4)C2)C1 ZINC000972554666 736731473 /nfs/dbraw/zinc/73/14/73/736731473.db2.gz SKAZREICLBBBLQ-SFHVURJKSA-N 1 2 345.447 0.646 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)C2)C1 ZINC000972574432 736892104 /nfs/dbraw/zinc/89/21/04/736892104.db2.gz ZXTRDYPMPOXLRM-APWZRJJASA-N 1 2 347.459 0.572 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)C2)C1 ZINC000972574432 736892106 /nfs/dbraw/zinc/89/21/06/736892106.db2.gz ZXTRDYPMPOXLRM-APWZRJJASA-N 1 2 347.459 0.572 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc4cccnn43)C2)C1 ZINC000972581793 736937596 /nfs/dbraw/zinc/93/75/96/736937596.db2.gz CMZAVWFGMNHXCR-QGZVFWFLSA-N 1 2 327.388 0.832 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc4cccnn43)C2)C1 ZINC000972581793 736937600 /nfs/dbraw/zinc/93/76/00/736937600.db2.gz CMZAVWFGMNHXCR-QGZVFWFLSA-N 1 2 327.388 0.832 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3cn(C)nc3C)C2)C1 ZINC000972584101 736955326 /nfs/dbraw/zinc/95/53/26/736955326.db2.gz ZYPRKBYSYADWCX-IBGZPJMESA-N 1 2 344.459 0.988 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3cn(C)nc3C)C2)C1 ZINC000972584101 736955332 /nfs/dbraw/zinc/95/53/32/736955332.db2.gz ZYPRKBYSYADWCX-IBGZPJMESA-N 1 2 344.459 0.988 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C2)C1 ZINC000972611459 737095311 /nfs/dbraw/zinc/09/53/11/737095311.db2.gz HMAYVRJBWWTAAF-KRWDZBQOSA-N 1 2 348.403 0.228 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3c(C)[nH]c(=O)[nH]c3=O)C2)C1 ZINC000972611459 737095313 /nfs/dbraw/zinc/09/53/13/737095313.db2.gz HMAYVRJBWWTAAF-KRWDZBQOSA-N 1 2 348.403 0.228 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn([C@@H]4CCOC4)nn3)C2)C1 ZINC000972629234 737158851 /nfs/dbraw/zinc/15/88/51/737158851.db2.gz YHPZOZYYEZKIEF-RHSMWYFYSA-N 1 2 347.419 0.342 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn([C@@H]4CCOC4)nn3)C2)C1 ZINC000972629234 737158857 /nfs/dbraw/zinc/15/88/57/737158857.db2.gz YHPZOZYYEZKIEF-RHSMWYFYSA-N 1 2 347.419 0.342 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCCCC(=O)N3)C2)C1 ZINC000972653568 737260781 /nfs/dbraw/zinc/26/07/81/737260781.db2.gz IRQZIURBCHPPNI-VQIMIIECSA-N 1 2 347.459 0.762 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCCCC(=O)N3)C2)C1 ZINC000972653568 737260785 /nfs/dbraw/zinc/26/07/85/737260785.db2.gz IRQZIURBCHPPNI-VQIMIIECSA-N 1 2 347.459 0.762 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3Cc4cccnc4C3)C2)C1 ZINC000972654541 737261210 /nfs/dbraw/zinc/26/12/10/737261210.db2.gz RHSAREZFYSZAOX-APWZRJJASA-N 1 2 325.412 0.733 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3Cc4cccnc4C3)C2)C1 ZINC000972654541 737261212 /nfs/dbraw/zinc/26/12/12/737261212.db2.gz RHSAREZFYSZAOX-APWZRJJASA-N 1 2 325.412 0.733 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CCOCC3)C2)C1 ZINC000972709115 737521832 /nfs/dbraw/zinc/52/18/32/737521832.db2.gz ZGHAVDVCJUQNHH-WMZOPIPTSA-N 1 2 335.448 0.034 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CCOCC3)C2)C1 ZINC000972709115 737521834 /nfs/dbraw/zinc/52/18/34/737521834.db2.gz ZGHAVDVCJUQNHH-WMZOPIPTSA-N 1 2 335.448 0.034 20 30 ECEDLO N#Cc1ccc(C(=O)NCC[NH2+]Cc2nnc([C@@H]3CCCOC3)o2)[nH]1 ZINC001125782731 737770570 /nfs/dbraw/zinc/77/05/70/737770570.db2.gz IDZSOUWNFDWRFI-LLVKDONJSA-N 1 2 344.375 0.683 20 30 ECEDLO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001024508089 738037731 /nfs/dbraw/zinc/03/77/31/738037731.db2.gz FQLOKONXKBZFCR-AWEZNQCLSA-N 1 2 326.462 0.968 20 30 ECEDLO C=CC[N@H+]1CCCC[C@H]1CNC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001024508089 738037732 /nfs/dbraw/zinc/03/77/32/738037732.db2.gz FQLOKONXKBZFCR-AWEZNQCLSA-N 1 2 326.462 0.968 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000973323838 739090660 /nfs/dbraw/zinc/09/06/60/739090660.db2.gz MNOFHLYRUNXIEB-DUPGQFARSA-N 1 2 332.404 0.697 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCS(C)(=O)=O ZINC001028195119 751440593 /nfs/dbraw/zinc/44/05/93/751440593.db2.gz JKWHCLSQTJALTJ-ILXRZTDVSA-N 1 2 344.477 0.593 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCS(C)(=O)=O ZINC001028195119 751440595 /nfs/dbraw/zinc/44/05/95/751440595.db2.gz JKWHCLSQTJALTJ-ILXRZTDVSA-N 1 2 344.477 0.593 20 30 ECEDLO C=CCO[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nncn1C)C2 ZINC001112018042 739468262 /nfs/dbraw/zinc/46/82/62/739468262.db2.gz YMDTWPQIOQWYRN-KEYYUXOJSA-N 1 2 333.436 0.877 20 30 ECEDLO C=CCO[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nncn1C)C2 ZINC001112018042 739468265 /nfs/dbraw/zinc/46/82/65/739468265.db2.gz YMDTWPQIOQWYRN-KEYYUXOJSA-N 1 2 333.436 0.877 20 30 ECEDLO C[C@@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001104729857 739556649 /nfs/dbraw/zinc/55/66/49/739556649.db2.gz NCLKJJJHBMOYCP-STQMWFEESA-N 1 2 339.403 0.488 20 30 ECEDLO N#Cc1nccnc1N1CCC2(C[C@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC001058638353 739639813 /nfs/dbraw/zinc/63/98/13/739639813.db2.gz SZQKXGOLVGCXRJ-CQSZACIVSA-N 1 2 337.387 0.720 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@H]2O)C1 ZINC001025545356 739706392 /nfs/dbraw/zinc/70/63/92/739706392.db2.gz CGGYVNZOSHYBMO-RBSFLKMASA-N 1 2 346.431 0.878 20 30 ECEDLO C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H](C)S(C)(=O)=O)C[C@H](C)O2 ZINC001098610674 740814648 /nfs/dbraw/zinc/81/46/48/740814648.db2.gz OCUKWJDQIYUSCK-UONOGXRCSA-N 1 2 342.461 0.135 20 30 ECEDLO C#CCCCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000173518854 741059343 /nfs/dbraw/zinc/05/93/43/741059343.db2.gz IPAPZNPJYKHQGF-UHFFFAOYSA-N 1 2 342.443 0.902 20 30 ECEDLO N#CCN[C@@H]1CC[C@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@@H]21 ZINC001026367122 741071356 /nfs/dbraw/zinc/07/13/56/741071356.db2.gz CTOUBWAGSIJKCB-YESZJQIVSA-N 1 2 346.475 0.982 20 30 ECEDLO C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)C[C@@H]12 ZINC001026376775 741117940 /nfs/dbraw/zinc/11/79/40/741117940.db2.gz GBKDHHCWFZGASH-MRVWCRGKSA-N 1 2 342.403 0.084 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[N@@H+]([C@@H](C)C(=O)N(C)C)CC2)nn1 ZINC000982143023 751640025 /nfs/dbraw/zinc/64/00/25/751640025.db2.gz MSOOGXKQURPMIW-AWEZNQCLSA-N 1 2 348.451 0.479 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[N@H+]([C@@H](C)C(=O)N(C)C)CC2)nn1 ZINC000982143023 751640030 /nfs/dbraw/zinc/64/00/30/751640030.db2.gz MSOOGXKQURPMIW-AWEZNQCLSA-N 1 2 348.451 0.479 20 30 ECEDLO C#CCCCC(=O)N1CC(n2cc(CNCc3c[nH+]cn3C)nn2)C1 ZINC001105225224 741506721 /nfs/dbraw/zinc/50/67/21/741506721.db2.gz MWVAHUCXXQYXSE-UHFFFAOYSA-N 1 2 341.419 0.488 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](OCC)C(C)C)C2)nn1 ZINC001105240704 741535359 /nfs/dbraw/zinc/53/53/59/741535359.db2.gz YPWMAIKKABZSCQ-MRXNPFEDSA-N 1 2 333.436 0.835 20 30 ECEDLO C#CCC[NH2+]Cc1cn(C2CN(C(=O)C(F)C(F)(F)F)C2)nn1 ZINC001105243719 741542868 /nfs/dbraw/zinc/54/28/68/741542868.db2.gz HLWCSLBHVOVRFI-LLVKDONJSA-N 1 2 333.289 0.675 20 30 ECEDLO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]cc4ncnc3-4)C2)nn1 ZINC001105247198 741547908 /nfs/dbraw/zinc/54/79/08/741547908.db2.gz TVIXLFGCVSUGKV-UHFFFAOYSA-N 1 2 338.375 0.522 20 30 ECEDLO CC(C)[C@@H](CNC(=O)CCn1cc[nH+]c1)Nc1ccnc(C#N)n1 ZINC001105251000 741557430 /nfs/dbraw/zinc/55/74/30/741557430.db2.gz ZFJNXBFHGRCMNI-CYBMUJFWSA-N 1 2 327.392 0.610 20 30 ECEDLO C=C(C)CCC(=O)N1CC(n2cc(C[NH2+][C@H](CC)C(N)=O)nn2)C1 ZINC001105253720 741566993 /nfs/dbraw/zinc/56/69/93/741566993.db2.gz BEYVUJUJKFVEOO-CQSZACIVSA-N 1 2 334.424 0.371 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCO[C@H]3CC)C2)nn1 ZINC001105256691 741571941 /nfs/dbraw/zinc/57/19/41/741571941.db2.gz NPZVWWJXOOURPC-SJORKVTESA-N 1 2 345.447 0.980 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCO[C@H]3C(C)C)C2)nn1 ZINC001105256827 741572440 /nfs/dbraw/zinc/57/24/40/741572440.db2.gz UQSSGHWNJJERMN-IRXDYDNUSA-N 1 2 345.447 0.835 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H](OCC)C(C)C)C2)nn1 ZINC001105256932 741572995 /nfs/dbraw/zinc/57/29/95/741572995.db2.gz ZVFGIEZONKBTGK-INIZCTEOSA-N 1 2 333.436 0.835 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCO[C@H]3CC)C2)nn1 ZINC001105256455 741576943 /nfs/dbraw/zinc/57/69/43/741576943.db2.gz FJCSSARPKIPCTM-CVEARBPZSA-N 1 2 331.420 0.589 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc4c([nH]3)CCOC4)C2)nn1 ZINC001105259685 741581984 /nfs/dbraw/zinc/58/19/84/741581984.db2.gz IDEWKZXMLBOAAL-UHFFFAOYSA-N 1 2 340.387 0.099 20 30 ECEDLO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001026618280 741619469 /nfs/dbraw/zinc/61/94/69/741619469.db2.gz UGLFHKUFYXNFHK-UKPHBRMFSA-N 1 2 340.427 0.822 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@]34CCC[C@H]3OCC4)C2)nn1 ZINC001105281183 741637857 /nfs/dbraw/zinc/63/78/57/741637857.db2.gz ZVCBJOYJUOXLFH-WBVHZDCISA-N 1 2 329.404 0.343 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@]3(C)CCO[C@H]3C)C2)nn1 ZINC001105289423 741652943 /nfs/dbraw/zinc/65/29/43/741652943.db2.gz COIPLGAQRDVQOO-GUYCJALGSA-N 1 2 331.420 0.589 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C(C)C)on3)C2)nn1 ZINC001105294749 741665715 /nfs/dbraw/zinc/66/57/15/741665715.db2.gz DTSPBUKKGFPMBK-UHFFFAOYSA-N 1 2 328.376 0.809 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)nn(C)c3C)C2)nn1 ZINC001105295057 741667269 /nfs/dbraw/zinc/66/72/69/741667269.db2.gz WXFLLBGHRQDWDE-UHFFFAOYSA-N 1 2 341.419 0.438 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC(n2cc(C[NH2+]CC(=O)NCC)nn2)C1 ZINC001105305672 741700361 /nfs/dbraw/zinc/70/03/61/741700361.db2.gz LZIJCJPKPQWSOH-CHWSQXEVSA-N 1 2 348.451 0.345 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC(n2cc(C[NH2+]CC(=O)N(C)C)nn2)C1 ZINC001105305951 741702600 /nfs/dbraw/zinc/70/26/00/741702600.db2.gz VAPFZNDALKUFMZ-CHWSQXEVSA-N 1 2 348.451 0.297 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3csc(=O)[nH]3)C2)nn1 ZINC001105310368 741716115 /nfs/dbraw/zinc/71/61/15/741716115.db2.gz ZNYKXAILAVFVKS-UHFFFAOYSA-N 1 2 332.389 0.250 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3Cc4ccc(F)cc43)C2)nn1 ZINC001105312520 741729838 /nfs/dbraw/zinc/72/98/38/741729838.db2.gz PVRNPGOTOITKKB-KRWDZBQOSA-N 1 2 339.374 0.863 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ocnc3C3CC3)C2)nn1 ZINC001105326981 741805518 /nfs/dbraw/zinc/80/55/18/741805518.db2.gz NQTDQISMOBLLSD-UHFFFAOYSA-N 1 2 326.360 0.563 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3cccnc3)C2)nn1 ZINC001105331752 741842109 /nfs/dbraw/zinc/84/21/09/741842109.db2.gz PJVKHMCJOIPTLX-DLBZAZTESA-N 1 2 336.399 0.583 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cnsn2)C1 ZINC001026894046 742039725 /nfs/dbraw/zinc/03/97/25/742039725.db2.gz UQLWTKDUQYQCJB-HIFRSBDPSA-N 1 2 333.461 0.574 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC(n2cc(C[NH2+]CC(=O)N(C)C)nn2)C1 ZINC001105334599 742102361 /nfs/dbraw/zinc/10/23/61/742102361.db2.gz JVYZHFSVXOYISM-UHFFFAOYSA-N 1 2 348.451 0.442 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3cn[nH]n3)C(C)(C)C2)C1=O ZINC000974780558 742180880 /nfs/dbraw/zinc/18/08/80/742180880.db2.gz BXHDHQGTISKKKE-CHWSQXEVSA-N 1 2 332.408 0.032 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3cn[nH]n3)C(C)(C)C2)C1=O ZINC000974780558 742180883 /nfs/dbraw/zinc/18/08/83/742180883.db2.gz BXHDHQGTISKKKE-CHWSQXEVSA-N 1 2 332.408 0.032 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3cnn[nH]3)C(C)(C)C2)C1=O ZINC000974780558 742180887 /nfs/dbraw/zinc/18/08/87/742180887.db2.gz BXHDHQGTISKKKE-CHWSQXEVSA-N 1 2 332.408 0.032 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3cnn[nH]3)C(C)(C)C2)C1=O ZINC000974780558 742180893 /nfs/dbraw/zinc/18/08/93/742180893.db2.gz BXHDHQGTISKKKE-CHWSQXEVSA-N 1 2 332.408 0.032 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)c1 ZINC000975072491 742472869 /nfs/dbraw/zinc/47/28/69/742472869.db2.gz YVKITGJWCCPUDH-GDBMZVCRSA-N 1 2 349.394 0.702 20 30 ECEDLO C#CCNC(=O)CC(=O)NCC[NH2+][C@H](C)c1nc(CCCC)no1 ZINC001125998748 743165028 /nfs/dbraw/zinc/16/50/28/743165028.db2.gz USLQZIBPURPFNN-GFCCVEGCSA-N 1 2 335.408 0.319 20 30 ECEDLO C#CCNC(=O)CC(=O)NCC[NH2+][C@H](C)c1nnc(CC(C)C)o1 ZINC001125998752 743165336 /nfs/dbraw/zinc/16/53/36/743165336.db2.gz UUZXDPUPGIADCN-GFCCVEGCSA-N 1 2 335.408 0.174 20 30 ECEDLO N#Cc1cc(C(=O)N[C@H]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)c[nH]1 ZINC000983568809 743463931 /nfs/dbraw/zinc/46/39/31/743463931.db2.gz RWTWBFBOGVMQTL-KGLIPLIRSA-N 1 2 340.387 0.940 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](OC)C3CCC3)C2)nn1 ZINC001098694720 743464774 /nfs/dbraw/zinc/46/47/74/743464774.db2.gz HMMMKZTYDKKMQY-SJORKVTESA-N 1 2 345.447 0.980 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000998060242 743954391 /nfs/dbraw/zinc/95/43/91/743954391.db2.gz XQTXDRXNPPICIH-CABCVRRESA-N 1 2 326.462 0.757 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000998060242 743954392 /nfs/dbraw/zinc/95/43/92/743954392.db2.gz XQTXDRXNPPICIH-CABCVRRESA-N 1 2 326.462 0.757 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]32)c[nH+]1 ZINC000976759621 744274817 /nfs/dbraw/zinc/27/48/17/744274817.db2.gz JCIKZDUXNGHBQG-ZZVYKPCYSA-N 1 2 329.404 0.659 20 30 ECEDLO C=CCn1cccc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000976764141 744305473 /nfs/dbraw/zinc/30/54/73/744305473.db2.gz JMPHELYTIGHQHD-HALDLXJZSA-N 1 2 339.399 0.757 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000998752830 744315270 /nfs/dbraw/zinc/31/52/70/744315270.db2.gz KKHFXSVLMXPECW-RYUDHWBXSA-N 1 2 328.376 0.263 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCCOCC)C2)nn1 ZINC001098626204 744818830 /nfs/dbraw/zinc/81/88/30/744818830.db2.gz LTRWRIHPRGQCCJ-MRXNPFEDSA-N 1 2 333.436 0.981 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCCN(C(=O)c3[nH]nnc3C)C2)C1=O ZINC001027517885 744937536 /nfs/dbraw/zinc/93/75/36/744937536.db2.gz KPKMFQGRPJIQAV-ZIAGYGMSSA-N 1 2 346.435 0.436 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3[nH]nnc3C)C2)C1=O ZINC001027517885 744937538 /nfs/dbraw/zinc/93/75/38/744937538.db2.gz KPKMFQGRPJIQAV-ZIAGYGMSSA-N 1 2 346.435 0.436 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1C[N@@H+](CC(=O)NC)CC1(C)C ZINC000977437785 744966420 /nfs/dbraw/zinc/96/64/20/744966420.db2.gz FYUZBFWPJROOST-AWEZNQCLSA-N 1 2 346.431 0.833 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1C[N@H+](CC(=O)NC)CC1(C)C ZINC000977437785 744966424 /nfs/dbraw/zinc/96/64/24/744966424.db2.gz FYUZBFWPJROOST-AWEZNQCLSA-N 1 2 346.431 0.833 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(CC)n(C)n3)C2)nn1 ZINC001105383064 745025575 /nfs/dbraw/zinc/02/55/75/745025575.db2.gz SBGOYFGXOHJFKX-UHFFFAOYSA-N 1 2 341.419 0.384 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001059197747 745114567 /nfs/dbraw/zinc/11/45/67/745114567.db2.gz HILXBDIWOBOVGM-CYBMUJFWSA-N 1 2 349.460 0.872 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NCC[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001059198236 745116410 /nfs/dbraw/zinc/11/64/10/745116410.db2.gz OJICDVIIIZTIFV-ZDUSSCGKSA-N 1 2 349.460 0.574 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CN2C(=O)CNC2=O)C(C)(C)C1 ZINC000977581571 745239335 /nfs/dbraw/zinc/23/93/35/745239335.db2.gz WRCOGWJUWCFQHH-JTQLQIEISA-N 1 2 328.800 0.117 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CN2C(=O)CNC2=O)C(C)(C)C1 ZINC000977581571 745239342 /nfs/dbraw/zinc/23/93/42/745239342.db2.gz WRCOGWJUWCFQHH-JTQLQIEISA-N 1 2 328.800 0.117 20 30 ECEDLO CN(C[C@@H]1CCN1C(=O)Cn1cc[nH+]c1)C(=O)c1ccc(C#N)[nH]1 ZINC000977610337 745266002 /nfs/dbraw/zinc/26/60/02/745266002.db2.gz ZZLGYQVBJJAIFI-ZDUSSCGKSA-N 1 2 326.360 0.456 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001027550907 745387192 /nfs/dbraw/zinc/38/71/92/745387192.db2.gz FEJMSMAGVDWHDX-QWRGUYRKSA-N 1 2 345.241 0.499 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001027550907 745387197 /nfs/dbraw/zinc/38/71/97/745387197.db2.gz FEJMSMAGVDWHDX-QWRGUYRKSA-N 1 2 345.241 0.499 20 30 ECEDLO C#CCCCC(=O)NCC[NH2+]Cc1nc(CC(=O)NCCCC)no1 ZINC001126344451 752001665 /nfs/dbraw/zinc/00/16/65/752001665.db2.gz YEZQIJSOEYRIHL-UHFFFAOYSA-N 1 2 349.435 0.538 20 30 ECEDLO NC(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(F)cc1 ZINC001029248893 745440703 /nfs/dbraw/zinc/44/07/03/745440703.db2.gz QEEDYQVRYOAZJD-IYBDPMFKSA-N 1 2 329.375 0.728 20 30 ECEDLO NC(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001029248893 745440706 /nfs/dbraw/zinc/44/07/06/745440706.db2.gz QEEDYQVRYOAZJD-IYBDPMFKSA-N 1 2 329.375 0.728 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3nnc(CC)o3)C2)nn1 ZINC001000405774 745478794 /nfs/dbraw/zinc/47/87/94/745478794.db2.gz UKIUDMMYYYCPHI-GFCCVEGCSA-N 1 2 345.407 0.804 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[C@H]([NH2+]Cc3nc(C)no3)C2)nn1 ZINC001000425809 745490126 /nfs/dbraw/zinc/49/01/26/745490126.db2.gz IZXZUKIQTGUDQF-ZDUSSCGKSA-N 1 2 345.407 0.940 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cn1cc[nH+]c1 ZINC000977807426 745527732 /nfs/dbraw/zinc/52/77/32/745527732.db2.gz IDIFGRBZIXDFTM-OAGGEKHMSA-N 1 2 346.431 0.924 20 30 ECEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001083414663 745546788 /nfs/dbraw/zinc/54/67/88/745546788.db2.gz OUFBRKWKTLDQKI-CABCVRRESA-N 1 2 329.360 0.466 20 30 ECEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001083414663 745546791 /nfs/dbraw/zinc/54/67/91/745546791.db2.gz OUFBRKWKTLDQKI-CABCVRRESA-N 1 2 329.360 0.466 20 30 ECEDLO CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000977913895 745667823 /nfs/dbraw/zinc/66/78/23/745667823.db2.gz UBWONNYMWLTFMC-CVEARBPZSA-N 1 2 340.427 0.918 20 30 ECEDLO CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000984099876 745822928 /nfs/dbraw/zinc/82/29/28/745822928.db2.gz GTXBMCOIMAZEGC-CQSZACIVSA-N 1 2 340.387 0.846 20 30 ECEDLO C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C3)cn1 ZINC001000888804 745868444 /nfs/dbraw/zinc/86/84/44/745868444.db2.gz TWDDYANIILOREI-IKGGRYGDSA-N 1 2 349.394 0.890 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2C(=O)Cc2c[nH+]c[nH]2)cn1 ZINC000978097666 745914118 /nfs/dbraw/zinc/91/41/18/745914118.db2.gz NDCBCRUGBSIYFO-MRXNPFEDSA-N 1 2 337.383 0.702 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087545467 745937706 /nfs/dbraw/zinc/93/77/06/745937706.db2.gz LKVSJLAFHYAXDE-WCQYABFASA-N 1 2 343.391 0.091 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087545467 745937708 /nfs/dbraw/zinc/93/77/08/745937708.db2.gz LKVSJLAFHYAXDE-WCQYABFASA-N 1 2 343.391 0.091 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ncnn3C)C[C@H]21 ZINC000978166118 745978798 /nfs/dbraw/zinc/97/87/98/745978798.db2.gz JGRDEKXKOWOJGV-SUJAAXHWSA-N 1 2 345.447 0.590 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ncnn3C)C[C@H]21 ZINC000978166118 745978800 /nfs/dbraw/zinc/97/88/00/745978800.db2.gz JGRDEKXKOWOJGV-SUJAAXHWSA-N 1 2 345.447 0.590 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC000978169620 746004029 /nfs/dbraw/zinc/00/40/29/746004029.db2.gz SYKAVLAASWSKKR-SUJAAXHWSA-N 1 2 332.404 0.845 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC000978169620 746004032 /nfs/dbraw/zinc/00/40/32/746004032.db2.gz SYKAVLAASWSKKR-SUJAAXHWSA-N 1 2 332.404 0.845 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001059337594 746007758 /nfs/dbraw/zinc/00/77/58/746007758.db2.gz LLRSMBWDKQDPKE-CQSZACIVSA-N 1 2 334.420 0.900 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001059337594 746007765 /nfs/dbraw/zinc/00/77/65/746007765.db2.gz LLRSMBWDKQDPKE-CQSZACIVSA-N 1 2 334.420 0.900 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001059337401 746010268 /nfs/dbraw/zinc/01/02/68/746010268.db2.gz HNAKECUYMDAJTB-HNNXBMFYSA-N 1 2 348.447 0.910 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCN(C)C2=O)[C@H]1C ZINC001088804244 755749465 /nfs/dbraw/zinc/74/94/65/755749465.db2.gz NGCOWXDTJCWVIK-UTUOFQBUSA-N 1 2 344.253 0.952 20 30 ECEDLO C#CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CCCS(=O)(=O)C2)[C@H]1CC ZINC001087787850 746333767 /nfs/dbraw/zinc/33/37/67/746333767.db2.gz SSTHITQDSWXWLX-QLFBSQMISA-N 1 2 326.462 0.804 20 30 ECEDLO C#CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCCS(=O)(=O)C2)[C@H]1CC ZINC001087787850 746333771 /nfs/dbraw/zinc/33/37/71/746333771.db2.gz SSTHITQDSWXWLX-QLFBSQMISA-N 1 2 326.462 0.804 20 30 ECEDLO Cc1cc(NC(=O)C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]3C2)on1 ZINC001087911340 746645758 /nfs/dbraw/zinc/64/57/58/746645758.db2.gz RJAWFSYFEIIKPP-BNOWGMLFSA-N 1 2 345.403 0.862 20 30 ECEDLO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]3C2)on1 ZINC001087911340 746645760 /nfs/dbraw/zinc/64/57/60/746645760.db2.gz RJAWFSYFEIIKPP-BNOWGMLFSA-N 1 2 345.403 0.862 20 30 ECEDLO CC(C)n1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 ZINC001087961669 746746300 /nfs/dbraw/zinc/74/63/00/746746300.db2.gz DUFSPWDRAVOFSW-CVEARBPZSA-N 1 2 342.447 0.948 20 30 ECEDLO CC(C)n1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 ZINC001087961669 746746303 /nfs/dbraw/zinc/74/63/03/746746303.db2.gz DUFSPWDRAVOFSW-CVEARBPZSA-N 1 2 342.447 0.948 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000984668047 746813023 /nfs/dbraw/zinc/81/30/23/746813023.db2.gz ATJSHKCWNAVBEE-XHSDSOJGSA-N 1 2 346.431 0.924 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000984671484 746822887 /nfs/dbraw/zinc/82/28/87/746822887.db2.gz UTDJVUJETOYYJH-KFWWJZLASA-N 1 2 346.431 0.993 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000984671486 746823028 /nfs/dbraw/zinc/82/30/28/746823028.db2.gz UTDJVUJETOYYJH-ZNMIVQPWSA-N 1 2 346.431 0.993 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnon3)CC[C@@H]2C1 ZINC001088112910 747411762 /nfs/dbraw/zinc/41/17/62/747411762.db2.gz DBWGPNDKGKMFRH-CLWVCHIJSA-N 1 2 332.404 0.941 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnon3)CC[C@@H]2C1 ZINC001088112910 747411767 /nfs/dbraw/zinc/41/17/67/747411767.db2.gz DBWGPNDKGKMFRH-CLWVCHIJSA-N 1 2 332.404 0.941 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N2CCC2)nc1 ZINC001029556796 747482823 /nfs/dbraw/zinc/48/28/23/747482823.db2.gz MSCPDWXCNGQPPI-IYBDPMFKSA-N 1 2 338.411 0.584 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N2CCC2)nc1 ZINC001029556796 747482825 /nfs/dbraw/zinc/48/28/25/747482825.db2.gz MSCPDWXCNGQPPI-IYBDPMFKSA-N 1 2 338.411 0.584 20 30 ECEDLO N#Cc1cc(C(=O)N2CC[C@@H](CCNC(=O)Cc3c[nH]c[nH+]3)C2)c[nH]1 ZINC001059505837 747588550 /nfs/dbraw/zinc/58/85/50/747588550.db2.gz YDIVFTYTLNSDJM-GFCCVEGCSA-N 1 2 340.387 0.821 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC000979528040 747966002 /nfs/dbraw/zinc/96/60/02/747966002.db2.gz GKRJPHOWROVXKG-QLPKVWCKSA-N 1 2 335.367 0.215 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000979652306 748161269 /nfs/dbraw/zinc/16/12/69/748161269.db2.gz AENOTPORYHODLR-AULYBMBSSA-N 1 2 340.387 0.487 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2nnnn2C)C1 ZINC001029739297 748196293 /nfs/dbraw/zinc/19/62/93/748196293.db2.gz LFQXKSLOPGPOQL-KFWWJZLASA-N 1 2 348.451 0.472 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2nnnn2C)C1 ZINC001029739297 748196297 /nfs/dbraw/zinc/19/62/97/748196297.db2.gz LFQXKSLOPGPOQL-KFWWJZLASA-N 1 2 348.451 0.472 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1COCCN1C ZINC001027825924 748208840 /nfs/dbraw/zinc/20/88/40/748208840.db2.gz ICEHXUMZGYLWBB-STQMWFEESA-N 1 2 346.269 0.806 20 30 ECEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1COCCN1C ZINC001027825924 748208838 /nfs/dbraw/zinc/20/88/38/748208838.db2.gz ICEHXUMZGYLWBB-STQMWFEESA-N 1 2 346.269 0.806 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)Cc2nccn2C)C1 ZINC001029757651 748267938 /nfs/dbraw/zinc/26/79/38/748267938.db2.gz FTHPDLBCZZHBJK-SJORKVTESA-N 1 2 343.475 0.798 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)Cc2nccn2C)C1 ZINC001029757651 748267942 /nfs/dbraw/zinc/26/79/42/748267942.db2.gz FTHPDLBCZZHBJK-SJORKVTESA-N 1 2 343.475 0.798 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[C@@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001059554861 748312861 /nfs/dbraw/zinc/31/28/61/748312861.db2.gz JKCDWFJBYNLTES-DYVFJYSZSA-N 1 2 334.420 0.634 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2CN(C(=O)Cc3c[nH+]cn3C)C2)nc1 ZINC001003468404 748585682 /nfs/dbraw/zinc/58/56/82/748585682.db2.gz QVMIMOAHOZUBNM-UHFFFAOYSA-N 1 2 337.383 0.227 20 30 ECEDLO CC[C@H](OC)C(=O)N1CC[C@H](n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001098630657 748587855 /nfs/dbraw/zinc/58/78/55/748587855.db2.gz VMQWAOLIKMUKFL-HOTGVXAUSA-N 1 2 349.435 0.216 20 30 ECEDLO CN(CCN(C)c1ccc(C#N)nn1)C(=O)CCCn1cc[nH+]c1 ZINC001105418008 748693597 /nfs/dbraw/zinc/69/35/97/748693597.db2.gz YHCOAALDVIGTAM-UHFFFAOYSA-N 1 2 327.392 0.920 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2ncnn2C)CC1 ZINC000985658527 748827727 /nfs/dbraw/zinc/82/77/27/748827727.db2.gz UJDYXXYXZCNOBQ-CABCVRRESA-N 1 2 333.436 0.829 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2ncnn2C)CC1 ZINC000985658527 748827736 /nfs/dbraw/zinc/82/77/36/748827736.db2.gz UJDYXXYXZCNOBQ-CABCVRRESA-N 1 2 333.436 0.829 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(CC)n[nH]2)[C@H](OC)C1 ZINC001211903264 748964410 /nfs/dbraw/zinc/96/44/10/748964410.db2.gz HYJCMPUQSJONFM-KCPJHIHWSA-N 1 2 349.435 0.092 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(CC)n[nH]2)[C@H](OC)C1 ZINC001211903264 748964418 /nfs/dbraw/zinc/96/44/18/748964418.db2.gz HYJCMPUQSJONFM-KCPJHIHWSA-N 1 2 349.435 0.092 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001059644088 749076303 /nfs/dbraw/zinc/07/63/03/749076303.db2.gz JWXHMGHNINWYLL-HNNXBMFYSA-N 1 2 346.431 0.737 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001059646558 749101488 /nfs/dbraw/zinc/10/14/88/749101488.db2.gz TWZZYJTURHFOQJ-UONOGXRCSA-N 1 2 332.404 0.345 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)Cc3ccoc3)CC2)CC1 ZINC000985825881 749183907 /nfs/dbraw/zinc/18/39/07/749183907.db2.gz RZUFIBICIXCYTJ-UHFFFAOYSA-N 1 2 346.431 0.890 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3ccccc3C)[C@@H](O)C2)C1=O ZINC001083317918 749440455 /nfs/dbraw/zinc/44/04/55/749440455.db2.gz UHYRHFJIEGGASA-ZACQAIPSSA-N 1 2 343.427 0.557 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3ccccc3C)[C@@H](O)C2)C1=O ZINC001083317918 749440457 /nfs/dbraw/zinc/44/04/57/749440457.db2.gz UHYRHFJIEGGASA-ZACQAIPSSA-N 1 2 343.427 0.557 20 30 ECEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCOCC2=O)CC1 ZINC001004455668 749520925 /nfs/dbraw/zinc/52/09/25/749520925.db2.gz FKKNAQBGFLISFV-OAHLLOKOSA-N 1 2 334.420 0.072 20 30 ECEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCOCC2=O)CC1 ZINC001004455668 749520930 /nfs/dbraw/zinc/52/09/30/749520930.db2.gz FKKNAQBGFLISFV-OAHLLOKOSA-N 1 2 334.420 0.072 20 30 ECEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2nc3ncccn3n2)CC1 ZINC001004578357 749652015 /nfs/dbraw/zinc/65/20/15/749652015.db2.gz VGUZAVPTIGGDQI-CQSZACIVSA-N 1 2 339.403 0.964 20 30 ECEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2nc3ncccn3n2)CC1 ZINC001004578357 749652017 /nfs/dbraw/zinc/65/20/17/749652017.db2.gz VGUZAVPTIGGDQI-CQSZACIVSA-N 1 2 339.403 0.964 20 30 ECEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 ZINC001004621086 749699354 /nfs/dbraw/zinc/69/93/54/749699354.db2.gz BPXIDVSOUSMZSU-CABCVRRESA-N 1 2 333.436 0.756 20 30 ECEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 ZINC001004621086 749699357 /nfs/dbraw/zinc/69/93/57/749699357.db2.gz BPXIDVSOUSMZSU-CABCVRRESA-N 1 2 333.436 0.756 20 30 ECEDLO C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001004720924 749778926 /nfs/dbraw/zinc/77/89/26/749778926.db2.gz AZPSRLOANMBWGX-NHYWBVRUSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001004810932 749898637 /nfs/dbraw/zinc/89/86/37/749898637.db2.gz TYKDVFHZFBKXLD-RISCZKNCSA-N 1 2 342.407 0.583 20 30 ECEDLO Cn1nnnc1C[N@H+](C)CC1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001029957015 750071769 /nfs/dbraw/zinc/07/17/69/750071769.db2.gz OXPADWBMUYPMDE-UHFFFAOYSA-N 1 2 342.407 0.394 20 30 ECEDLO Cn1nnnc1C[N@@H+](C)CC1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001029957015 750071777 /nfs/dbraw/zinc/07/17/77/750071777.db2.gz OXPADWBMUYPMDE-UHFFFAOYSA-N 1 2 342.407 0.394 20 30 ECEDLO C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001004993064 750113197 /nfs/dbraw/zinc/11/31/97/750113197.db2.gz RVYGGVYKMRXPQL-WFASDCNBSA-N 1 2 340.387 0.750 20 30 ECEDLO C=CCCC(=O)NCC[C@H](C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001075883408 750227204 /nfs/dbraw/zinc/22/72/04/750227204.db2.gz CABDMDFJAMAMQM-WFASDCNBSA-N 1 2 349.435 0.434 20 30 ECEDLO C=CCCC(=O)NCC[C@H](C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001075883408 750227208 /nfs/dbraw/zinc/22/72/08/750227208.db2.gz CABDMDFJAMAMQM-WFASDCNBSA-N 1 2 349.435 0.434 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCn3cccc3)C2)nn1 ZINC001105349897 750444511 /nfs/dbraw/zinc/44/45/11/750444511.db2.gz SJVZIKRGMOCXRY-UHFFFAOYSA-N 1 2 326.404 0.666 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CC[C@@H]3CCCOC3)C2)nn1 ZINC001105352514 750462144 /nfs/dbraw/zinc/46/21/44/750462144.db2.gz WOSIRKRWWSIOND-AWEZNQCLSA-N 1 2 331.420 0.591 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC3CCOCC3)C2)nn1 ZINC001098640109 750464276 /nfs/dbraw/zinc/46/42/76/750464276.db2.gz DMJBSYBHYDEJDS-MRXNPFEDSA-N 1 2 331.420 0.591 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccc(OC)n3)C2)nn1 ZINC001105354493 750484705 /nfs/dbraw/zinc/48/47/05/750484705.db2.gz MMFQQXKLJCADKW-UHFFFAOYSA-N 1 2 326.360 0.102 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC000981275649 750521048 /nfs/dbraw/zinc/52/10/48/750521048.db2.gz CWXUVNRYUWXGNJ-CQSZACIVSA-N 1 2 343.855 0.768 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC000981275649 750521051 /nfs/dbraw/zinc/52/10/51/750521051.db2.gz CWXUVNRYUWXGNJ-CQSZACIVSA-N 1 2 343.855 0.768 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2NC[C@H](O)CNC(=O)C#CC(C)(C)C ZINC001105825698 762076514 /nfs/dbraw/zinc/07/65/14/762076514.db2.gz NHEZFOIFHSZXJC-LLVKDONJSA-N 1 2 330.392 0.302 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CN2CCCCS2(=O)=O)CC1 ZINC000981626332 750900316 /nfs/dbraw/zinc/90/03/16/750900316.db2.gz MLALGTJBFVIUMB-UHFFFAOYSA-N 1 2 349.884 0.699 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CN2CCCCS2(=O)=O)CC1 ZINC000981626332 750900320 /nfs/dbraw/zinc/90/03/20/750900320.db2.gz MLALGTJBFVIUMB-UHFFFAOYSA-N 1 2 349.884 0.699 20 30 ECEDLO C=CCn1cc(C(=O)NCCC[NH2+]Cc2noc(CC(C)C)n2)nn1 ZINC001167847879 750957016 /nfs/dbraw/zinc/95/70/16/750957016.db2.gz OZFFOBQYALXFBE-UHFFFAOYSA-N 1 2 347.423 0.955 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cn2nc3ccccn3c2=O)CC1 ZINC000981720900 751013151 /nfs/dbraw/zinc/01/31/51/751013151.db2.gz XWQUDVAYZVLGCH-UHFFFAOYSA-N 1 2 349.822 0.783 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cn2nc3ccccn3c2=O)CC1 ZINC000981720900 751013158 /nfs/dbraw/zinc/01/31/58/751013158.db2.gz XWQUDVAYZVLGCH-UHFFFAOYSA-N 1 2 349.822 0.783 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccc4nc(C)[nH]c43)C2)nn1 ZINC001105357900 751015719 /nfs/dbraw/zinc/01/57/19/751015719.db2.gz MSFYOGBFRGHKJX-UHFFFAOYSA-N 1 2 349.398 0.883 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H](C)C2CN(C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC001006102563 751017346 /nfs/dbraw/zinc/01/73/46/751017346.db2.gz CZXNQQQURIWRES-LLVKDONJSA-N 1 2 343.391 0.007 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](Nc2cnc(C#N)cn2)C1 ZINC001059830116 751187113 /nfs/dbraw/zinc/18/71/13/751187113.db2.gz QSBVCSIPWXGWMG-ZMJPVWNMSA-N 1 2 337.387 0.945 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)C(=O)C(C)(C)C)C1 ZINC001006321649 751244184 /nfs/dbraw/zinc/24/41/84/751244184.db2.gz RHDWXFAHXOMLOV-ZFWWWQNUSA-N 1 2 347.459 0.662 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)C(=O)C(C)(C)C)C1 ZINC001006321649 751244187 /nfs/dbraw/zinc/24/41/87/751244187.db2.gz RHDWXFAHXOMLOV-ZFWWWQNUSA-N 1 2 347.459 0.662 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](NC(=O)Cn3ncnn3)C2)c1 ZINC001007347235 752315062 /nfs/dbraw/zinc/31/50/62/752315062.db2.gz YLELPHQJAHSIAZ-AWEZNQCLSA-N 1 2 343.366 0.465 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](NC(=O)Cn3ncnn3)C2)c1 ZINC001007347235 752315071 /nfs/dbraw/zinc/31/50/71/752315071.db2.gz YLELPHQJAHSIAZ-AWEZNQCLSA-N 1 2 343.366 0.465 20 30 ECEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)C[C@H]1OC ZINC001211997519 752339926 /nfs/dbraw/zinc/33/99/26/752339926.db2.gz XQZGGDUZACJQSG-HUUCEWRRSA-N 1 2 339.436 0.063 20 30 ECEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)C[C@H]1OC ZINC001211997519 752339935 /nfs/dbraw/zinc/33/99/35/752339935.db2.gz XQZGGDUZACJQSG-HUUCEWRRSA-N 1 2 339.436 0.063 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@H]1C ZINC001088606327 752359208 /nfs/dbraw/zinc/35/92/08/752359208.db2.gz MPFJCVMCWFXYIG-NEPJUHHUSA-N 1 2 335.857 0.353 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@H]1C ZINC001088606327 752359212 /nfs/dbraw/zinc/35/92/12/752359212.db2.gz MPFJCVMCWFXYIG-NEPJUHHUSA-N 1 2 335.857 0.353 20 30 ECEDLO C[C@H]1C[C@H]([NH2+]Cc2nc(N(C)C)no2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC000988612807 752377496 /nfs/dbraw/zinc/37/74/96/752377496.db2.gz NARLTVSJRCHHJF-GWCFXTLKSA-N 1 2 343.391 0.728 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CCOCC)[C@H](OC)C2)C1=O ZINC001212020281 752411276 /nfs/dbraw/zinc/41/12/76/752411276.db2.gz ZIFHUQPIQHJWRL-RBSFLKMASA-N 1 2 339.436 0.015 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CCOCC)[C@H](OC)C2)C1=O ZINC001212020281 752411277 /nfs/dbraw/zinc/41/12/77/752411277.db2.gz ZIFHUQPIQHJWRL-RBSFLKMASA-N 1 2 339.436 0.015 20 30 ECEDLO CO[C@@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212041547 752433883 /nfs/dbraw/zinc/43/38/83/752433883.db2.gz TZBORCOVWZWDPG-ZLKJLUDKSA-N 1 2 345.403 0.535 20 30 ECEDLO CO[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212041547 752433887 /nfs/dbraw/zinc/43/38/87/752433887.db2.gz TZBORCOVWZWDPG-ZLKJLUDKSA-N 1 2 345.403 0.535 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H](C)[C@@H]3CCCO3)C2)nn1 ZINC001105368160 752468279 /nfs/dbraw/zinc/46/82/79/752468279.db2.gz 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327.816 0.223 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001009372706 754821020 /nfs/dbraw/zinc/82/10/20/754821020.db2.gz SSFCMBRFKPPANS-LBPRGKRZSA-N 1 2 327.816 0.223 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001009526054 754978164 /nfs/dbraw/zinc/97/81/64/754978164.db2.gz KFPHTDACPJFBAE-ZSAUSMIDSA-N 1 2 344.415 0.364 20 30 ECEDLO CN(CCCN(C)c1cncc(C#N)n1)C(=O)Cc1c[nH+]cn1C ZINC001112107603 762352338 /nfs/dbraw/zinc/35/23/38/762352338.db2.gz CIWJEPAQINOXGE-UHFFFAOYSA-N 1 2 327.392 0.609 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CC[N@@H+]([C@@H](C)c3nnnn3C)C2)c1 ZINC001028792914 755141633 /nfs/dbraw/zinc/14/16/33/755141633.db2.gz PDLATWYLEZGIBR-GXTWGEPZSA-N 1 2 339.403 0.399 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CC[N@H+]([C@@H](C)c3nnnn3C)C2)c1 ZINC001028792914 755141638 /nfs/dbraw/zinc/14/16/38/755141638.db2.gz PDLATWYLEZGIBR-GXTWGEPZSA-N 1 2 339.403 0.399 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC(=O)Nc2ccon2)C1 ZINC001028812476 755205918 /nfs/dbraw/zinc/20/59/18/755205918.db2.gz DAHQUMXWXCCSDL-MJBXVCDLSA-N 1 2 348.403 0.642 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC001028812476 755205922 /nfs/dbraw/zinc/20/59/22/755205922.db2.gz DAHQUMXWXCCSDL-MJBXVCDLSA-N 1 2 348.403 0.642 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)C[C@@H]3CCCO3)C2)nn1 ZINC001105379285 755281159 /nfs/dbraw/zinc/28/11/59/755281159.db2.gz TXSSCBWXFOJMQN-CJNGLKHVSA-N 1 2 331.420 0.589 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000983369825 755437915 /nfs/dbraw/zinc/43/79/15/755437915.db2.gz PUIJIKCMIYGUMM-IMJJTQAJSA-N 1 2 346.431 0.898 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C=C3CCC3)C2)nn1 ZINC001098655340 755620398 /nfs/dbraw/zinc/62/03/98/755620398.db2.gz GWZKCQJCQKMMPN-QGZVFWFLSA-N 1 2 343.431 0.901 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)Cn3cnnn3)C2)c1 ZINC001010106316 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2 346.431 0.050 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(C)c(C)o2)C[C@@H]1O ZINC001083535421 755973005 /nfs/dbraw/zinc/97/30/05/755973005.db2.gz PNDLGVATEMNJPO-PMPSAXMXSA-N 1 2 346.431 0.050 20 30 ECEDLO C=CCOCCCC(=O)NCC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001076034513 756029842 /nfs/dbraw/zinc/02/98/42/756029842.db2.gz RFWPVDPTGOEIKC-AWEZNQCLSA-N 1 2 336.436 0.956 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@H]32)cc1 ZINC001076117691 756109895 /nfs/dbraw/zinc/10/98/95/756109895.db2.gz QBMJVFXKGROBFU-DLBZAZTESA-N 1 2 346.452 0.859 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@H]32)cc1 ZINC001076117691 756109896 /nfs/dbraw/zinc/10/98/96/756109896.db2.gz QBMJVFXKGROBFU-DLBZAZTESA-N 1 2 346.452 0.859 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N(C)C1CC(Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001126920506 756211859 /nfs/dbraw/zinc/21/18/59/756211859.db2.gz SIYLVRAQLTXJPJ-FVKWTLKZSA-N 1 2 348.451 0.974 20 30 ECEDLO O=C(C#CC1CC1)N1CCO[C@H](C[NH2+]Cc2nc(C3CC3)no2)C1 ZINC001051608712 762457216 /nfs/dbraw/zinc/45/72/16/762457216.db2.gz HOUKKONUPWNRQY-CQSZACIVSA-N 1 2 330.388 0.677 20 30 ECEDLO CO[C@@H](C)c1noc(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC001051610913 762462611 /nfs/dbraw/zinc/46/26/11/762462611.db2.gz FQCFFLFFUXRMKP-GXTWGEPZSA-N 1 2 348.403 0.507 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3ncccc3O)C2)C1=O ZINC001010729409 756452625 /nfs/dbraw/zinc/45/26/25/756452625.db2.gz BCPCBVXESMOPJN-OLZOCXBDSA-N 1 2 330.388 0.378 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3ncccc3O)C2)C1=O ZINC001010729409 756452627 /nfs/dbraw/zinc/45/26/27/756452627.db2.gz BCPCBVXESMOPJN-OLZOCXBDSA-N 1 2 330.388 0.378 20 30 ECEDLO CC(C)C#CC(=O)NCC[C@H](C)NC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001076413731 756484864 /nfs/dbraw/zinc/48/48/64/756484864.db2.gz LVZAXTNMIWOSQA-MAUKXSAKSA-N 1 2 349.475 0.768 20 30 ECEDLO C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001076431727 756500670 /nfs/dbraw/zinc/50/06/70/756500670.db2.gz MSPMCZFWXOIBAZ-KBXCAEBGSA-N 1 2 347.459 0.522 20 30 ECEDLO C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001076506428 756576964 /nfs/dbraw/zinc/57/69/64/756576964.db2.gz WGZNAVSNFQRXFG-LSDHHAIUSA-N 1 2 346.431 0.496 20 30 ECEDLO C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001076506249 756590504 /nfs/dbraw/zinc/59/05/04/756590504.db2.gz OSWQKBXEURCMGY-LSDHHAIUSA-N 1 2 346.431 0.496 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001010925303 756674334 /nfs/dbraw/zinc/67/43/34/756674334.db2.gz NTGLPKPKOMHHNU-LBPRGKRZSA-N 1 2 340.387 0.773 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001010925303 756674338 /nfs/dbraw/zinc/67/43/38/756674338.db2.gz NTGLPKPKOMHHNU-LBPRGKRZSA-N 1 2 340.387 0.773 20 30 ECEDLO COC1CC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]2O)C1 ZINC001083550810 756729358 /nfs/dbraw/zinc/72/93/58/756729358.db2.gz CHUVSGARUWBGRG-BLMDWJLWSA-N 1 2 347.390 0.784 20 30 ECEDLO COC1CC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]2O)C1 ZINC001083550810 756729362 /nfs/dbraw/zinc/72/93/62/756729362.db2.gz CHUVSGARUWBGRG-BLMDWJLWSA-N 1 2 347.390 0.784 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3nccn3CC)C2)nn1 ZINC001098665372 756794702 /nfs/dbraw/zinc/79/47/02/756794702.db2.gz WUHTVSIBLVFUBN-AWEZNQCLSA-N 1 2 327.392 0.305 20 30 ECEDLO N#Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3CCOCC3)C2)ccc1F ZINC001076667931 756807800 /nfs/dbraw/zinc/80/78/00/756807800.db2.gz RCOKGXQJJHQVLT-IAGOWNOFSA-N 1 2 347.390 0.785 20 30 ECEDLO N#Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CCOCC3)C2)ccc1F ZINC001076667931 756807805 /nfs/dbraw/zinc/80/78/05/756807805.db2.gz RCOKGXQJJHQVLT-IAGOWNOFSA-N 1 2 347.390 0.785 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@H](C)NC(=O)CSCC#N ZINC001076710899 756898492 /nfs/dbraw/zinc/89/84/92/756898492.db2.gz VFABRTRVWMNKBA-NEPJUHHUSA-N 1 2 337.449 0.856 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@H](C)NC(=O)CSCC#N ZINC001076710899 756898497 /nfs/dbraw/zinc/89/84/97/756898497.db2.gz VFABRTRVWMNKBA-NEPJUHHUSA-N 1 2 337.449 0.856 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C)oc3C)C2)C1=O ZINC001076732274 756931602 /nfs/dbraw/zinc/93/16/02/756931602.db2.gz COIOHDICGIGYGE-OWCLPIDISA-N 1 2 347.415 0.458 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C)oc3C)C2)C1=O ZINC001076732274 756931603 /nfs/dbraw/zinc/93/16/03/756931603.db2.gz COIOHDICGIGYGE-OWCLPIDISA-N 1 2 347.415 0.458 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@@H]2C[N@H+](CC(=O)Nc3cnccn3)C[C@@H]2C1 ZINC001048810831 757069957 /nfs/dbraw/zinc/06/99/57/757069957.db2.gz UFPKMYZYOOXSBY-GASCZTMLSA-N 1 2 339.399 0.219 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@@H]2C[N@@H+](CC(=O)Nc3cnccn3)C[C@@H]2C1 ZINC001048810831 757069967 /nfs/dbraw/zinc/06/99/67/757069967.db2.gz UFPKMYZYOOXSBY-GASCZTMLSA-N 1 2 339.399 0.219 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)n(C)n1 ZINC001076784867 757113065 /nfs/dbraw/zinc/11/30/65/757113065.db2.gz JESMHYLKSNFXRY-SJLPKXTDSA-N 1 2 338.411 0.555 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)n(C)n1 ZINC001076784867 757113070 /nfs/dbraw/zinc/11/30/70/757113070.db2.gz JESMHYLKSNFXRY-SJLPKXTDSA-N 1 2 338.411 0.555 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C[C@@H]3CCCCO3)nn2)C1 ZINC001107156990 757136912 /nfs/dbraw/zinc/13/69/12/757136912.db2.gz HWITWZZGVWXQHA-INIZCTEOSA-N 1 2 331.420 0.734 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CO[C@H]3CCOC3)nn2)C1 ZINC001107172756 757224029 /nfs/dbraw/zinc/22/40/29/757224029.db2.gz KOTBOYLAYUSQIS-HNNXBMFYSA-N 1 2 335.408 0.133 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001048866692 757230041 /nfs/dbraw/zinc/23/00/41/757230041.db2.gz VXJURCACDXLBEW-PMPSAXMXSA-N 1 2 346.431 0.524 20 30 ECEDLO Cc1[nH]nc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)c1C ZINC001076814454 757230382 /nfs/dbraw/zinc/23/03/82/757230382.db2.gz DITQSKQSTDZCKY-HZPDHXFCSA-N 1 2 339.399 0.873 20 30 ECEDLO Cc1[nH]nc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)c1C ZINC001076814454 757230387 /nfs/dbraw/zinc/23/03/87/757230387.db2.gz DITQSKQSTDZCKY-HZPDHXFCSA-N 1 2 339.399 0.873 20 30 ECEDLO C#CCC1(C(=O)NCc2cn(C3C[NH+](CCOCC)C3)nn2)CCC1 ZINC001107179734 757297045 /nfs/dbraw/zinc/29/70/45/757297045.db2.gz RXFGBZPPKCPYMT-UHFFFAOYSA-N 1 2 345.447 0.981 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)Cc3cn(C)nc3C)nn2)C1 ZINC001107179922 757298084 /nfs/dbraw/zinc/29/80/84/757298084.db2.gz WNFJRROSQOATEW-UHFFFAOYSA-N 1 2 343.435 0.612 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C3(F)CCOCC3)nn2)C1 ZINC001107177901 757331041 /nfs/dbraw/zinc/33/10/41/757331041.db2.gz BZRLIJOEFGSQID-UHFFFAOYSA-N 1 2 337.399 0.846 20 30 ECEDLO O=C(NCC[NH2+]CCCNC(=O)C(F)(F)F)C(F)C(F)(F)F ZINC001127731553 757352765 /nfs/dbraw/zinc/35/27/65/757352765.db2.gz VUGCNMQDDWFVOR-ZCFIWIBFSA-N 1 2 341.227 0.661 20 30 ECEDLO O=C(NCC[NH2+]CCCNC(=O)C(F)(F)F)[C@@H](F)C(F)(F)F ZINC001127731553 757352774 /nfs/dbraw/zinc/35/27/74/757352774.db2.gz VUGCNMQDDWFVOR-ZCFIWIBFSA-N 1 2 341.227 0.661 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)Cn3nc(C)cc3C)nn2)C1 ZINC001107184498 757416999 /nfs/dbraw/zinc/41/69/99/757416999.db2.gz MXLAHSDIMFFBMA-UHFFFAOYSA-N 1 2 343.435 0.841 20 30 ECEDLO C=C(C)CN1CC(n2cc(CNC(=O)CCn3cc[nH+]c3)nn2)C1 ZINC001107191249 757443411 /nfs/dbraw/zinc/44/34/11/757443411.db2.gz RLWUOPNPXGUUFD-UHFFFAOYSA-N 1 2 329.408 0.614 20 30 ECEDLO CCc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076898554 757518461 /nfs/dbraw/zinc/51/84/61/757518461.db2.gz OQAQEWCZWPXYSM-HUUCEWRRSA-N 1 2 329.360 0.412 20 30 ECEDLO CCc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076898554 757518467 /nfs/dbraw/zinc/51/84/67/757518467.db2.gz OQAQEWCZWPXYSM-HUUCEWRRSA-N 1 2 329.360 0.412 20 30 ECEDLO Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC001076898584 757518500 /nfs/dbraw/zinc/51/85/00/757518500.db2.gz QBZBGGGRLBZWCZ-ZIAGYGMSSA-N 1 2 329.360 0.466 20 30 ECEDLO Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC001076898584 757518506 /nfs/dbraw/zinc/51/85/06/757518506.db2.gz QBZBGGGRLBZWCZ-ZIAGYGMSSA-N 1 2 329.360 0.466 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc4n3CCOC4)C[C@@H]2C1 ZINC001048979006 757589419 /nfs/dbraw/zinc/58/94/19/757589419.db2.gz MDIIXMHXBJTSHB-OKILXGFUSA-N 1 2 345.447 0.911 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc4n3CCOC4)C[C@@H]2C1 ZINC001048979006 757589428 /nfs/dbraw/zinc/58/94/28/757589428.db2.gz MDIIXMHXBJTSHB-OKILXGFUSA-N 1 2 345.447 0.911 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3=CCCCCC3)C2)C1=O ZINC001076924714 757613202 /nfs/dbraw/zinc/61/32/02/757613202.db2.gz BDVOOBGAKPMOKF-BRWVUGGUSA-N 1 2 347.459 0.825 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3=CCCCCC3)C2)C1=O ZINC001076924714 757613209 /nfs/dbraw/zinc/61/32/09/757613209.db2.gz BDVOOBGAKPMOKF-BRWVUGGUSA-N 1 2 347.459 0.825 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001049000299 757651535 /nfs/dbraw/zinc/65/15/35/757651535.db2.gz NBDOYXXBJHDTGU-MPGHIAIKSA-N 1 2 348.447 0.975 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001049000299 757651538 /nfs/dbraw/zinc/65/15/38/757651538.db2.gz NBDOYXXBJHDTGU-MPGHIAIKSA-N 1 2 348.447 0.975 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CC3=CCOCC3)nn2)C1 ZINC001107206625 757721583 /nfs/dbraw/zinc/72/15/83/757721583.db2.gz NXIFFBLSKOKIRH-UHFFFAOYSA-N 1 2 329.404 0.511 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCc3cnn(C)n3)nn2)C1 ZINC001107211980 757740182 /nfs/dbraw/zinc/74/01/82/757740182.db2.gz IWAWDEGVKYYSPU-UHFFFAOYSA-N 1 2 344.423 0.088 20 30 ECEDLO C=CCCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001049034333 757748722 /nfs/dbraw/zinc/74/87/22/757748722.db2.gz DTXAKKCFCSGEID-GJZGRUSLSA-N 1 2 346.431 0.660 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCc3ncccn3)nn2)C1 ZINC001107221260 757859125 /nfs/dbraw/zinc/85/91/25/757859125.db2.gz PQEMLAMWSUCGJF-UHFFFAOYSA-N 1 2 339.403 0.197 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCc3cnccn3)nn2)C1 ZINC001107225829 757879027 /nfs/dbraw/zinc/87/90/27/757879027.db2.gz GZVLDHGOBXUGFS-UHFFFAOYSA-N 1 2 341.419 0.750 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3oncc3C)nn2)C1 ZINC001107226021 757879227 /nfs/dbraw/zinc/87/92/27/757879227.db2.gz LWTVTFLXVFZWMM-UHFFFAOYSA-N 1 2 346.391 0.564 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCCn3cncn3)nn2)C1 ZINC001107226304 757881608 /nfs/dbraw/zinc/88/16/08/757881608.db2.gz PZYZTFRDUCRIIF-UHFFFAOYSA-N 1 2 344.423 0.399 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C[C@H](C)N3CCCC3=O)nn2)C1 ZINC001107227016 757886210 /nfs/dbraw/zinc/88/62/10/757886210.db2.gz ANXGBVMUIOQIAO-ZDUSSCGKSA-N 1 2 346.435 0.338 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CC(=O)NCC3CC3)nn2)C1 ZINC001107227091 757886473 /nfs/dbraw/zinc/88/64/73/757886473.db2.gz CSXQMSIAEPDQGS-UHFFFAOYSA-N 1 2 346.435 0.243 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cnon4)C[C@@H]3C2)nn1 ZINC001049103101 757964250 /nfs/dbraw/zinc/96/42/50/757964250.db2.gz FMGAXTPIBZZELM-TXEJJXNPSA-N 1 2 329.364 0.051 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4cnon4)C[C@@H]3C2)nn1 ZINC001049103101 757964256 /nfs/dbraw/zinc/96/42/56/757964256.db2.gz FMGAXTPIBZZELM-TXEJJXNPSA-N 1 2 329.364 0.051 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@]34C[C@H]3COC4)C2)cc1F ZINC001077030644 757995461 /nfs/dbraw/zinc/99/54/61/757995461.db2.gz WMRFKEARLRXESF-ZDRJDWQYSA-N 1 2 345.374 0.395 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@]34C[C@H]3COC4)C2)cc1F ZINC001077030644 757995465 /nfs/dbraw/zinc/99/54/65/757995465.db2.gz WMRFKEARLRXESF-ZDRJDWQYSA-N 1 2 345.374 0.395 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCCOC(C)C)nn2)C1 ZINC001107241995 757997709 /nfs/dbraw/zinc/99/77/09/757997709.db2.gz LKXRETQYGPDPQF-UHFFFAOYSA-N 1 2 333.436 0.980 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](CCCC)NC(N)=O)nn2)C1 ZINC001107241982 757998570 /nfs/dbraw/zinc/99/85/70/757998570.db2.gz LCKMSAIYANFPRH-CQSZACIVSA-N 1 2 349.439 0.164 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H](CC(C)C)C(N)=O)nn2)C1 ZINC001107241875 757998602 /nfs/dbraw/zinc/99/86/02/757998602.db2.gz IGUMRUPVNJIHDR-HNNXBMFYSA-N 1 2 348.451 0.475 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H](C)c3cnn(C)c3)nn2)C1 ZINC001107243711 758003605 /nfs/dbraw/zinc/00/36/05/758003605.db2.gz GPMDBLHBYNIETC-ZDUSSCGKSA-N 1 2 343.435 0.864 20 30 ECEDLO C=CCO[C@H](C)C(=O)NC/C=C/CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001107235475 758022941 /nfs/dbraw/zinc/02/29/41/758022941.db2.gz IQXUXLKNWQHNLP-ABZNLYFFSA-N 1 2 334.424 0.921 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCn3cc(C)cn3)nn2)C1 ZINC001107238715 758033716 /nfs/dbraw/zinc/03/37/16/758033716.db2.gz MKNCMBPWSWCODZ-UHFFFAOYSA-N 1 2 329.408 0.532 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)COCCOCC)nn2)C1 ZINC001107238921 758035322 /nfs/dbraw/zinc/03/53/22/758035322.db2.gz XFDWPJPJTXQKTP-UHFFFAOYSA-N 1 2 337.424 0.380 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)c1 ZINC001022035502 758189630 /nfs/dbraw/zinc/18/96/30/758189630.db2.gz PHIMHUWZSWPTML-DZGCQCFKSA-N 1 2 338.371 0.456 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3ccn(C)c3)n[nH]2)C1 ZINC001077113517 758216154 /nfs/dbraw/zinc/21/61/54/758216154.db2.gz MBDJEGVGQCMURM-HZPDHXFCSA-N 1 2 327.388 0.213 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3ccn(C)c3)n[nH]2)C1 ZINC001077113517 758216163 /nfs/dbraw/zinc/21/61/63/758216163.db2.gz MBDJEGVGQCMURM-HZPDHXFCSA-N 1 2 327.388 0.213 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3C)C[C@@H]2C1 ZINC001049190108 758257020 /nfs/dbraw/zinc/25/70/20/758257020.db2.gz IYPBMSJYKWFVSO-HDICACEKSA-N 1 2 349.438 0.929 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3C)C[C@@H]2C1 ZINC001049190108 758257027 /nfs/dbraw/zinc/25/70/27/758257027.db2.gz IYPBMSJYKWFVSO-HDICACEKSA-N 1 2 349.438 0.929 20 30 ECEDLO N#Cc1cncc(NC/C=C/CNC(=O)[C@H]2CCc3[nH+]ccn3C2)n1 ZINC001107393806 758451088 /nfs/dbraw/zinc/45/10/88/758451088.db2.gz GPCVXBVELNWCIK-AORQRIRUSA-N 1 2 337.387 0.892 20 30 ECEDLO N#Cc1cnc(NC/C=C/CNC(=O)[C@H]2CCc3c[nH+]cn3C2)cn1 ZINC001107394783 758453266 /nfs/dbraw/zinc/45/32/66/758453266.db2.gz PNQLHNNDEPTPCZ-AORQRIRUSA-N 1 2 337.387 0.892 20 30 ECEDLO N#Cc1cnc(NC/C=C\CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cn1 ZINC001107395404 758453612 /nfs/dbraw/zinc/45/36/12/758453612.db2.gz YWGHQWKEMAQBKS-FYDYADQUSA-N 1 2 337.387 0.892 20 30 ECEDLO Cc1nc(N2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)cc[nH+]1 ZINC001051669473 762647346 /nfs/dbraw/zinc/64/73/46/762647346.db2.gz OIMUOOHHQXMWSZ-OCCSQVGLSA-N 1 2 326.360 0.354 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 ZINC001022390753 758659104 /nfs/dbraw/zinc/65/91/04/758659104.db2.gz KMZRPLJONSDZMG-DOTOQJQBSA-N 1 2 340.427 0.825 20 30 ECEDLO N#Cc1ccc(N2CC=C(CNC(=O)CCc3c[nH]c[nH+]3)CC2)nn1 ZINC001127781715 758694036 /nfs/dbraw/zinc/69/40/36/758694036.db2.gz CMABQHORQHKODJ-UHFFFAOYSA-N 1 2 337.387 0.957 20 30 ECEDLO N#Cc1ccc(N2CC=C(CNC(=O)CCc3c[nH+]c[nH]3)CC2)nn1 ZINC001127781715 758694039 /nfs/dbraw/zinc/69/40/39/758694039.db2.gz CMABQHORQHKODJ-UHFFFAOYSA-N 1 2 337.387 0.957 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001011849421 758754945 /nfs/dbraw/zinc/75/49/45/758754945.db2.gz BRFGEVHAKXZGEO-WCQYABFASA-N 1 2 326.360 0.502 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C1 ZINC001077320621 758790479 /nfs/dbraw/zinc/79/04/79/758790479.db2.gz LVULXBOKKKPUGX-HUUCEWRRSA-N 1 2 336.436 0.112 20 30 ECEDLO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C1 ZINC001077320621 758790484 /nfs/dbraw/zinc/79/04/84/758790484.db2.gz LVULXBOKKKPUGX-HUUCEWRRSA-N 1 2 336.436 0.112 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1nc(=O)n(C)[nH]1 ZINC001049634062 759026705 /nfs/dbraw/zinc/02/67/05/759026705.db2.gz CSSSALDBPWIOOW-STQMWFEESA-N 1 2 333.436 0.886 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1nc(=O)n(C)[nH]1 ZINC001049634062 759026718 /nfs/dbraw/zinc/02/67/18/759026718.db2.gz CSSSALDBPWIOOW-STQMWFEESA-N 1 2 333.436 0.886 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001049639837 759040495 /nfs/dbraw/zinc/04/04/95/759040495.db2.gz RKFXCRCZXYGSOH-QEJZJMRPSA-N 1 2 334.420 0.585 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(-c3cn[nH]c3)cn2)[C@@H](O)C1 ZINC001083582332 759084258 /nfs/dbraw/zinc/08/42/58/759084258.db2.gz HZSOCNYRGKAHOW-CVEARBPZSA-N 1 2 325.372 0.270 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(-c3cn[nH]c3)cn2)[C@@H](O)C1 ZINC001083582332 759084263 /nfs/dbraw/zinc/08/42/63/759084263.db2.gz HZSOCNYRGKAHOW-CVEARBPZSA-N 1 2 325.372 0.270 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC001049770504 759185175 /nfs/dbraw/zinc/18/51/75/759185175.db2.gz VGUNIZPWRPGMMW-BZUAXINKSA-N 1 2 338.473 0.900 20 30 ECEDLO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC001049770504 759185181 /nfs/dbraw/zinc/18/51/81/759185181.db2.gz VGUNIZPWRPGMMW-BZUAXINKSA-N 1 2 338.473 0.900 20 30 ECEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](C)NC(=O)COC)CC2)C1 ZINC001105709272 759808944 /nfs/dbraw/zinc/80/89/44/759808944.db2.gz COXZKIAPXFQHHA-ZDUSSCGKSA-N 1 2 339.436 0.015 20 30 ECEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)C3CC(=O)NC(=O)C3)cc2C1 ZINC001054285489 767895548 /nfs/dbraw/zinc/89/55/48/767895548.db2.gz KOJUWSSFAOVOFO-UHFFFAOYSA-N 1 2 325.368 0.304 20 30 ECEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)C3CC(=O)NC(=O)C3)cc2C1 ZINC001054285489 767895554 /nfs/dbraw/zinc/89/55/54/767895554.db2.gz KOJUWSSFAOVOFO-UHFFFAOYSA-N 1 2 325.368 0.304 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NCC2=CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)c1 ZINC001017365886 767896853 /nfs/dbraw/zinc/89/68/53/767896853.db2.gz AHXFIFXWNQSRJE-UHFFFAOYSA-N 1 2 338.371 0.741 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001012444690 760011869 /nfs/dbraw/zinc/01/18/69/760011869.db2.gz CYSSUOFKSIBAHX-GXFFZTMASA-N 1 2 326.360 0.571 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001012490914 760078340 /nfs/dbraw/zinc/07/83/40/760078340.db2.gz AZODYFAZNKKJHV-YPMHNXCESA-N 1 2 326.360 0.502 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001050298762 760081546 /nfs/dbraw/zinc/08/15/46/760081546.db2.gz XYTIVGIWTYWJGY-ZIAGYGMSSA-N 1 2 334.420 0.898 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)n1 ZINC001050389271 760217873 /nfs/dbraw/zinc/21/78/73/760217873.db2.gz RQSOPPAFSHYXEK-OCCSQVGLSA-N 1 2 325.376 0.637 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)C(=O)C(C)(C)C)CC1 ZINC000945422582 760258561 /nfs/dbraw/zinc/25/85/61/760258561.db2.gz DDIZDAKLVOAGDQ-HNNXBMFYSA-N 1 2 347.459 0.806 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)C(=O)C(C)(C)C)CC1 ZINC000945422582 760258566 /nfs/dbraw/zinc/25/85/66/760258566.db2.gz DDIZDAKLVOAGDQ-HNNXBMFYSA-N 1 2 347.459 0.806 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C)nn1 ZINC001012615847 760434310 /nfs/dbraw/zinc/43/43/10/760434310.db2.gz BFLCQVPJEUIBAJ-STQMWFEESA-N 1 2 343.391 0.080 20 30 ECEDLO Cc1nc(N(C)C)nc(NC/C=C\CNC(=O)c2ccc(C#N)[nH]2)[nH+]1 ZINC001107126886 760505040 /nfs/dbraw/zinc/50/50/40/760505040.db2.gz FZCVSIFVSKRJBV-PLNGDYQASA-N 1 2 340.391 0.844 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[C@H]3OCC)nn2)C1 ZINC001107132600 760551791 /nfs/dbraw/zinc/55/17/91/760551791.db2.gz ZXUAYTGIVPXGLR-JKSUJKDBSA-N 1 2 349.435 0.379 20 30 ECEDLO CN(CCOCCNc1ccncc1C#N)C(=O)CCc1[nH]cc[nH+]1 ZINC001127300546 767979391 /nfs/dbraw/zinc/97/93/91/767979391.db2.gz HRXCMKKHJKFQKR-UHFFFAOYSA-N 1 2 342.403 0.618 20 30 ECEDLO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@@H]1O ZINC001048754503 761117889 /nfs/dbraw/zinc/11/78/89/761117889.db2.gz SVRNYSTVASPXIH-KBMXLJTQSA-N 1 2 346.431 0.422 20 30 ECEDLO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001048754503 761117893 /nfs/dbraw/zinc/11/78/93/761117893.db2.gz SVRNYSTVASPXIH-KBMXLJTQSA-N 1 2 346.431 0.422 20 30 ECEDLO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)c1c[nH]cc1-c1cnn(C)c1 ZINC001050912430 761128325 /nfs/dbraw/zinc/12/83/25/761128325.db2.gz DHWMGZRCSJKNCD-OAHLLOKOSA-N 1 2 341.415 0.869 20 30 ECEDLO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1c[nH]cc1-c1cnn(C)c1 ZINC001050912430 761128328 /nfs/dbraw/zinc/12/83/28/761128328.db2.gz DHWMGZRCSJKNCD-OAHLLOKOSA-N 1 2 341.415 0.869 20 30 ECEDLO C=CCN1CCOC[C@@H]1CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001050925069 761153513 /nfs/dbraw/zinc/15/35/13/761153513.db2.gz OCOBWCYNUIEWFM-BBRMVZONSA-N 1 2 333.436 0.793 20 30 ECEDLO C=CCN1CCOC[C@@H]1CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001050925069 761153515 /nfs/dbraw/zinc/15/35/15/761153515.db2.gz OCOBWCYNUIEWFM-BBRMVZONSA-N 1 2 333.436 0.793 20 30 ECEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NC[C@@H]2COCCN2CC#N)[nH]n1 ZINC001050926319 761155141 /nfs/dbraw/zinc/15/51/41/761155141.db2.gz ZXYFIKPUSKPAFN-DOMZBBRYSA-N 1 2 332.408 0.131 20 30 ECEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NC[C@@H]2COCCN2CC#N)[nH]n1 ZINC001050926319 761155142 /nfs/dbraw/zinc/15/51/42/761155142.db2.gz ZXYFIKPUSKPAFN-DOMZBBRYSA-N 1 2 332.408 0.131 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1[nH]c(C)c(C(N)=O)c1CC ZINC001050954077 761213452 /nfs/dbraw/zinc/21/34/52/761213452.db2.gz PZFMVIZUCMBOBN-ZDUSSCGKSA-N 1 2 348.447 0.991 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1[nH]c(C)c(C(N)=O)c1CC ZINC001050954077 761213457 /nfs/dbraw/zinc/21/34/57/761213457.db2.gz PZFMVIZUCMBOBN-ZDUSSCGKSA-N 1 2 348.447 0.991 20 30 ECEDLO C#Cc1cccc(NC(=O)CN2CC(NC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC001031144876 768032664 /nfs/dbraw/zinc/03/26/64/768032664.db2.gz CRMNPUFVACJFMU-UHFFFAOYSA-N 1 2 337.383 0.373 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001051043413 761381705 /nfs/dbraw/zinc/38/17/05/761381705.db2.gz KSAYDKAMDRHWCX-LUKYLMHMSA-N 1 2 338.448 0.821 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001051043413 761381712 /nfs/dbraw/zinc/38/17/12/761381712.db2.gz KSAYDKAMDRHWCX-LUKYLMHMSA-N 1 2 338.448 0.821 20 30 ECEDLO C#CCOCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001051061773 761420407 /nfs/dbraw/zinc/42/04/07/761420407.db2.gz VKTRRRNBCOBYMZ-HUUCEWRRSA-N 1 2 332.404 0.276 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C[C@H]1C ZINC001013494164 761486534 /nfs/dbraw/zinc/48/65/34/761486534.db2.gz ZLCUHBFNUVRNND-QMTHXVAHSA-N 1 2 340.387 0.880 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1COCCN1Cc1c[nH+]cn1C ZINC001051161384 761587532 /nfs/dbraw/zinc/58/75/32/761587532.db2.gz FCDPLMNVOSGBAK-ULQDDVLXSA-N 1 2 348.447 0.718 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc(C(=O)NC)n1 ZINC001051229189 761724073 /nfs/dbraw/zinc/72/40/73/761724073.db2.gz WBOXINBPLIQFSC-AWEZNQCLSA-N 1 2 346.431 0.838 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc(C(=O)NC)n1 ZINC001051229189 761724078 /nfs/dbraw/zinc/72/40/78/761724078.db2.gz WBOXINBPLIQFSC-AWEZNQCLSA-N 1 2 346.431 0.838 20 30 ECEDLO C[C@@H](NC(=O)CSCC#N)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001051262694 761788104 /nfs/dbraw/zinc/78/81/04/761788104.db2.gz YSRBNAJAHUYVJC-OLZOCXBDSA-N 1 2 349.460 0.573 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001051312574 761867839 /nfs/dbraw/zinc/86/78/39/761867839.db2.gz VNQHOZZGAYTIQH-DZGCQCFKSA-N 1 2 346.431 0.654 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(c3cc[nH+]c(C)n3)C[C@@H]2O)cn1 ZINC001051712920 762768600 /nfs/dbraw/zinc/76/86/00/762768600.db2.gz OIGSYPRONFNIDE-CVEARBPZSA-N 1 2 337.383 0.531 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)CNc1ncc(C#N)cc1Cl ZINC001105920917 762776965 /nfs/dbraw/zinc/77/69/65/762776965.db2.gz SBYUVPNSHAOQAY-LLVKDONJSA-N 1 2 348.794 0.770 20 30 ECEDLO N#Cc1cnc(N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](O)C2)c(F)c1 ZINC001051718412 762789245 /nfs/dbraw/zinc/78/92/45/762789245.db2.gz OJPGPRLIVNGUMG-QWHCGFSZSA-N 1 2 344.350 0.114 20 30 ECEDLO N#Cc1cnc(N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](O)C2)c(F)c1 ZINC001051718411 762789255 /nfs/dbraw/zinc/78/92/55/762789255.db2.gz OJPGPRLIVNGUMG-OLZOCXBDSA-N 1 2 344.350 0.114 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[C@@H]3CCNC3=O)C2)c(F)c1 ZINC001014713866 763031139 /nfs/dbraw/zinc/03/11/39/763031139.db2.gz ZJUOGZJWFTVEOR-DZGCQCFKSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C[C@@H]3CCNC3=O)C2)c(F)c1 ZINC001014713866 763031141 /nfs/dbraw/zinc/03/11/41/763031141.db2.gz ZJUOGZJWFTVEOR-DZGCQCFKSA-N 1 2 344.390 0.914 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@@H](O)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001105970118 763122372 /nfs/dbraw/zinc/12/23/72/763122372.db2.gz AILZGRBBHCTQED-KBPBESRZSA-N 1 2 334.420 0.836 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@H]3CCCOC3)C2)nn1 ZINC001098784346 768113916 /nfs/dbraw/zinc/11/39/16/768113916.db2.gz DEYFZDDOEQGPMF-NVXWUHKLSA-N 1 2 345.447 0.981 20 30 ECEDLO COCCc1noc(C[NH2+][C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C)n1 ZINC001054640218 768115010 /nfs/dbraw/zinc/11/50/10/768115010.db2.gz XMNFIFZOKYACRD-OCCSQVGLSA-N 1 2 332.404 0.608 20 30 ECEDLO N#Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)Cc3ncn[nH]3)CCO2)s1 ZINC001051897162 763259842 /nfs/dbraw/zinc/25/98/42/763259842.db2.gz WAFLQSQMQHQHTL-NSHDSACASA-N 1 2 346.416 0.298 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001014854420 763306504 /nfs/dbraw/zinc/30/65/04/763306504.db2.gz XUYZZFGAAMBTSH-SMDDNHRTSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001014882069 763363193 /nfs/dbraw/zinc/36/31/93/763363193.db2.gz FRGRFGPAGCDKEI-BXUZGUMPSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@@H](C(N)=O)[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001046930326 763407856 /nfs/dbraw/zinc/40/78/56/763407856.db2.gz ZICIEGDJNWBQSO-GXSJLCMTSA-N 1 2 339.346 0.447 20 30 ECEDLO C[C@@H](C(N)=O)[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001046930326 763407859 /nfs/dbraw/zinc/40/78/59/763407859.db2.gz ZICIEGDJNWBQSO-GXSJLCMTSA-N 1 2 339.346 0.447 20 30 ECEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1CCNC1=O ZINC001031896887 763427287 /nfs/dbraw/zinc/42/72/87/763427287.db2.gz LNOKIYLZZJWYNH-MRXNPFEDSA-N 1 2 345.830 0.876 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CC[C@H]3C(N)=O)C2)cc1F ZINC001031896108 763431902 /nfs/dbraw/zinc/43/19/02/763431902.db2.gz BSLNUINSGXFGLC-CABCVRRESA-N 1 2 344.390 0.757 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001046968735 763486195 /nfs/dbraw/zinc/48/61/95/763486195.db2.gz NMTZJXMPAOCTQH-NXEZZACHSA-N 1 2 336.770 0.494 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001046968735 763486198 /nfs/dbraw/zinc/48/61/98/763486198.db2.gz NMTZJXMPAOCTQH-NXEZZACHSA-N 1 2 336.770 0.494 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001077573263 763528576 /nfs/dbraw/zinc/52/85/76/763528576.db2.gz FFFFPMAHPGXTIF-ZNMIVQPWSA-N 1 2 334.420 0.875 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(Cc3ncccn3)CC2)C1 ZINC001051997543 763547495 /nfs/dbraw/zinc/54/74/95/763547495.db2.gz DCUSNGSXLIIYLM-CABCVRRESA-N 1 2 328.420 0.355 20 30 ECEDLO CCn1ncnc1CN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001051998004 763549694 /nfs/dbraw/zinc/54/96/94/763549694.db2.gz MFNKQIIAGQPSCY-CABCVRRESA-N 1 2 345.451 0.176 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc[nH]c(=O)c3)C2)CC1 ZINC001052011122 763580412 /nfs/dbraw/zinc/58/04/12/763580412.db2.gz NDUCMDBKTBCOHE-INIZCTEOSA-N 1 2 328.416 0.643 20 30 ECEDLO C#CCC1(C(=O)NC[C@@H](O)CNc2cc[nH+]c(C)n2)CCOCC1 ZINC001106002982 763588503 /nfs/dbraw/zinc/58/85/03/763588503.db2.gz RJVCCTBIGHHFKY-AWEZNQCLSA-N 1 2 332.404 0.494 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)n3cncn3)C2)CC1 ZINC001052017528 763594675 /nfs/dbraw/zinc/59/46/75/763594675.db2.gz MJJMCKBJUFDEPD-JKSUJKDBSA-N 1 2 330.436 0.081 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)CC1 ZINC001052021519 763605181 /nfs/dbraw/zinc/60/51/81/763605181.db2.gz DORJKBKQZXNVMX-CHWSQXEVSA-N 1 2 342.827 0.066 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C3(c4ccccn4)CC3)C2)CC1 ZINC001052026174 763619105 /nfs/dbraw/zinc/61/91/05/763619105.db2.gz BINFGXPSISCLAS-KRWDZBQOSA-N 1 2 338.455 0.965 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cccc4n[nH]nc43)C2)CC1 ZINC001052031387 763632486 /nfs/dbraw/zinc/63/24/86/763632486.db2.gz MGLWYLRRWKGFLX-AWEZNQCLSA-N 1 2 338.415 0.423 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C)nnc3C)C2)CC1 ZINC001052033733 763637907 /nfs/dbraw/zinc/63/79/07/763637907.db2.gz UJSDHFHPVSDWJW-INIZCTEOSA-N 1 2 327.432 0.559 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)C2)CC1 ZINC001052034000 763637978 /nfs/dbraw/zinc/63/79/78/763637978.db2.gz YUGJBMLESNGOAG-SJORKVTESA-N 1 2 346.475 0.095 20 30 ECEDLO CC(C)n1nccc1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052033956 763638321 /nfs/dbraw/zinc/63/83/21/763638321.db2.gz XSVYRELVGGZMLZ-OAHLLOKOSA-N 1 2 330.436 0.820 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)CCc3ccn(C)n3)C2)CC1 ZINC001052036010 763646710 /nfs/dbraw/zinc/64/67/10/763646710.db2.gz WVRWTZLPCIIHEI-GOSISDBHSA-N 1 2 343.475 0.595 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3cn(C)nc3C)C2)CC1 ZINC001052037048 763652305 /nfs/dbraw/zinc/65/23/05/763652305.db2.gz CUJDOKLURMZKRK-KRWDZBQOSA-N 1 2 329.448 0.123 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn4ncccc34)C2)CC1 ZINC001052037210 763653607 /nfs/dbraw/zinc/65/36/07/763653607.db2.gz HPCSVLOSNGUPIQ-OAHLLOKOSA-N 1 2 338.415 0.195 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCNC3=O)C2)CC1 ZINC001052037276 763653771 /nfs/dbraw/zinc/65/37/71/763653771.db2.gz JLRMZAPQPQAJPN-JKSUJKDBSA-N 1 2 334.464 0.307 20 30 ECEDLO CCc1cccc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052037339 763655346 /nfs/dbraw/zinc/65/53/46/763655346.db2.gz LBUXDXUULBHDKI-MRXNPFEDSA-N 1 2 327.432 1.000 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc4n[nH]nc4c3)C2)CC1 ZINC001052037596 763655714 /nfs/dbraw/zinc/65/57/14/763655714.db2.gz OCVGOXMVEHLWFZ-AWEZNQCLSA-N 1 2 341.419 0.371 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc4nc[nH]c4n3)C2)CC1 ZINC001052040209 763660979 /nfs/dbraw/zinc/66/09/79/763660979.db2.gz BQZOKBGWFSEQDZ-CQSZACIVSA-N 1 2 340.431 0.976 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc[nH]c3=O)C2)CC1 ZINC001052040183 763661122 /nfs/dbraw/zinc/66/11/22/763661122.db2.gz AUMMJQIVPNAYCI-CQSZACIVSA-N 1 2 329.404 0.038 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cncs3)C2)CC1 ZINC001052040408 763661343 /nfs/dbraw/zinc/66/13/43/763661343.db2.gz AIVWZJOWVRGCSB-OAHLLOKOSA-N 1 2 332.473 0.927 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cncs3)C2)CC1 ZINC001052040401 763661517 /nfs/dbraw/zinc/66/15/17/763661517.db2.gz AIVWZJOWVRGCSB-HNNXBMFYSA-N 1 2 332.473 0.927 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnc4[nH]ccc4c3)C2)CC1 ZINC001052040517 763662493 /nfs/dbraw/zinc/66/24/93/763662493.db2.gz BWJUPXINYDGDSI-QGZVFWFLSA-N 1 2 337.427 0.980 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc[nH]c3=O)C2)CC1 ZINC001052040565 763662776 /nfs/dbraw/zinc/66/27/76/763662776.db2.gz HEILMKVYZXIAHH-CQSZACIVSA-N 1 2 331.420 0.590 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(OCC)n[nH]3)C2)CC1 ZINC001052041084 763664965 /nfs/dbraw/zinc/66/49/65/763664965.db2.gz RNPKUIOKNRPXFX-CQSZACIVSA-N 1 2 331.420 0.274 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(C(F)F)ncn3)C2)CC1 ZINC001052043452 763674765 /nfs/dbraw/zinc/67/47/65/763674765.db2.gz YWQRSEJAERWHOA-CYBMUJFWSA-N 1 2 349.385 0.880 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C(F)F)ncn3)C2)CC1 ZINC001052043452 763674770 /nfs/dbraw/zinc/67/47/70/763674770.db2.gz YWQRSEJAERWHOA-CYBMUJFWSA-N 1 2 349.385 0.880 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn4c3OCCC4)C2)CC1 ZINC001052047017 763688702 /nfs/dbraw/zinc/68/87/02/763688702.db2.gz GVZAMMNEURFBDY-OAHLLOKOSA-N 1 2 345.447 0.684 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(N(C)C)nc3)C2)CC1 ZINC001052047993 763693855 /nfs/dbraw/zinc/69/38/55/763693855.db2.gz ICGJYYHIKZVBTK-QGZVFWFLSA-N 1 2 341.459 0.613 20 30 ECEDLO CCCc1c(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)cnn1C ZINC001052048541 763696798 /nfs/dbraw/zinc/69/67/98/763696798.db2.gz XEMCWWZOGXIATN-HNNXBMFYSA-N 1 2 344.463 0.728 20 30 ECEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@H]2CCc3[nH+]ccn3C2)nc1 ZINC001106016089 763717683 /nfs/dbraw/zinc/71/76/83/763717683.db2.gz NSYDPMMWAGRPHQ-UONOGXRCSA-N 1 2 340.387 0.301 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCNC(=O)CC3)C2)CC1 ZINC001052057916 763733873 /nfs/dbraw/zinc/73/38/73/763733873.db2.gz VATTYWVGRIKCNP-SJORKVTESA-N 1 2 346.475 0.145 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)c3cncnc3)C2)CC1 ZINC001052070011 763766832 /nfs/dbraw/zinc/76/68/32/763766832.db2.gz ATANYZVGIQEMAH-RDJZCZTQSA-N 1 2 327.432 0.432 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ocnc3C(F)F)C2)CC1 ZINC001052081699 763798454 /nfs/dbraw/zinc/79/84/54/763798454.db2.gz FLWFYUVCAPTSRM-NSHDSACASA-N 1 2 339.346 0.968 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ocnc3C3CC3)C2)CC1 ZINC001052081504 763798990 /nfs/dbraw/zinc/79/89/90/763798990.db2.gz CJOCULMEWSFJDS-CQSZACIVSA-N 1 2 329.404 0.908 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccnc(C4CC4)n3)C2)CC1 ZINC001052092472 763833453 /nfs/dbraw/zinc/83/34/53/763833453.db2.gz FMSPEGUEUARYCM-INIZCTEOSA-N 1 2 339.443 0.819 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccnc(C4CC4)n3)C2)CC1 ZINC001052092472 763833460 /nfs/dbraw/zinc/83/34/60/763833460.db2.gz FMSPEGUEUARYCM-INIZCTEOSA-N 1 2 339.443 0.819 20 30 ECEDLO COc1nc(C)ccc1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052093223 763836204 /nfs/dbraw/zinc/83/62/04/763836204.db2.gz LQOKUPJHMXFBLE-HNNXBMFYSA-N 1 2 343.431 0.754 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC2)C1 ZINC001047273643 763858294 /nfs/dbraw/zinc/85/82/94/763858294.db2.gz QKBXMNPHEDFZFU-HOTGVXAUSA-N 1 2 329.400 0.980 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC2)C1 ZINC001047273643 763858300 /nfs/dbraw/zinc/85/83/00/763858300.db2.gz QKBXMNPHEDFZFU-HOTGVXAUSA-N 1 2 329.400 0.980 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc4ncccn4n3)C2)CC1 ZINC001052099591 763858614 /nfs/dbraw/zinc/85/86/14/763858614.db2.gz NSKJMEQMOOIEFS-OAHLLOKOSA-N 1 2 338.415 0.195 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc4ncccn4n3)C2)CC1 ZINC001052099591 763858623 /nfs/dbraw/zinc/85/86/23/763858623.db2.gz NSKJMEQMOOIEFS-OAHLLOKOSA-N 1 2 338.415 0.195 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(N(C)C)nn3)C2)CC1 ZINC001052109184 763894589 /nfs/dbraw/zinc/89/45/89/763894589.db2.gz XXFQTEPAWSKIOC-HNNXBMFYSA-N 1 2 344.463 0.561 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ncccc3OC)C2)CC1 ZINC001052112057 763906592 /nfs/dbraw/zinc/90/65/92/763906592.db2.gz LIGTWKGOLZURDT-OAHLLOKOSA-N 1 2 328.416 0.556 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ncccc3OC)C2)CC1 ZINC001052112057 763906597 /nfs/dbraw/zinc/90/65/97/763906597.db2.gz LIGTWKGOLZURDT-OAHLLOKOSA-N 1 2 328.416 0.556 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)Cn3ccccc3=O)C2)CC1 ZINC001052117043 763925722 /nfs/dbraw/zinc/92/57/22/763925722.db2.gz DXQRUICYMCEFNM-QGZVFWFLSA-N 1 2 342.443 0.090 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ncc4n3CCCC4)C2)CC1 ZINC001052120173 763937997 /nfs/dbraw/zinc/93/79/97/763937997.db2.gz ZTPGQDFURRDLJE-INIZCTEOSA-N 1 2 342.447 0.575 20 30 ECEDLO CN(C(=O)c1cn[nH]c1)[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC001047313799 763963955 /nfs/dbraw/zinc/96/39/55/763963955.db2.gz WFQDDCNKJNWKFY-HOTGVXAUSA-N 1 2 343.362 0.738 20 30 ECEDLO CN(C(=O)c1cn[nH]c1)[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC001047313799 763963960 /nfs/dbraw/zinc/96/39/60/763963960.db2.gz WFQDDCNKJNWKFY-HOTGVXAUSA-N 1 2 343.362 0.738 20 30 ECEDLO CCN(CCNc1ccnc(C#N)n1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001106964330 763994791 /nfs/dbraw/zinc/99/47/91/763994791.db2.gz IRHUBJFOCNACBB-CYBMUJFWSA-N 1 2 327.392 0.878 20 30 ECEDLO C=CCOCC(=O)N1C[C@H](C)[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001052215273 764066394 /nfs/dbraw/zinc/06/63/94/764066394.db2.gz PAECYEALHREKNE-UONOGXRCSA-N 1 2 334.420 0.756 20 30 ECEDLO C=CCOCC(=O)N1C[C@H](C)[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001052215273 764066404 /nfs/dbraw/zinc/06/64/04/764066404.db2.gz PAECYEALHREKNE-UONOGXRCSA-N 1 2 334.420 0.756 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001127327418 768191972 /nfs/dbraw/zinc/19/19/72/768191972.db2.gz LGFQHPGPBDTGBH-AWEZNQCLSA-N 1 2 347.463 0.960 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc([C@H]3CCCO3)n2)C1 ZINC001047380065 764168266 /nfs/dbraw/zinc/16/82/66/764168266.db2.gz XKXNBFCYYFVUPH-MELADBBJSA-N 1 2 335.429 0.745 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc([C@H]3CCCO3)n2)C1 ZINC001047380065 764168273 /nfs/dbraw/zinc/16/82/73/764168273.db2.gz XKXNBFCYYFVUPH-MELADBBJSA-N 1 2 335.429 0.745 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1)C2 ZINC001047395963 764206458 /nfs/dbraw/zinc/20/64/58/764206458.db2.gz XXFKWTJNPFEYQG-ZNMIVQPWSA-N 1 2 332.404 0.581 20 30 ECEDLO C=CCn1cc(C(=O)NCC2C[NH+](Cc3ccc(OC)nc3)C2)nn1 ZINC001032034703 764220274 /nfs/dbraw/zinc/22/02/74/764220274.db2.gz BHYWOZHPNFEFIW-UHFFFAOYSA-N 1 2 342.403 0.730 20 30 ECEDLO C=C[C@H](CC)CC(=O)NC[C@@H](O)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001106066436 764274548 /nfs/dbraw/zinc/27/45/48/764274548.db2.gz DISVCIQKJOKOHG-ZIAGYGMSSA-N 1 2 347.463 0.956 20 30 ECEDLO C=C[C@H](CC)CC(=O)NC[C@@H](O)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106066436 764274551 /nfs/dbraw/zinc/27/45/51/764274551.db2.gz DISVCIQKJOKOHG-ZIAGYGMSSA-N 1 2 347.463 0.956 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1C(=O)c1cc(C#N)c[nH]1 ZINC001015263694 764276510 /nfs/dbraw/zinc/27/65/10/764276510.db2.gz XEXXEFSBWSTQIN-RISCZKNCSA-N 1 2 340.387 0.961 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1OC ZINC001212189194 764334885 /nfs/dbraw/zinc/33/48/85/764334885.db2.gz XGHPYBNYAVMPEI-IXDOHACOSA-N 1 2 347.459 0.759 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1OC ZINC001212189194 764334893 /nfs/dbraw/zinc/33/48/93/764334893.db2.gz XGHPYBNYAVMPEI-IXDOHACOSA-N 1 2 347.459 0.759 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3nocc3C)C2)nn1 ZINC001098763244 764334947 /nfs/dbraw/zinc/33/49/47/764334947.db2.gz VWUBJGXYVPOZTH-CQSZACIVSA-N 1 2 328.376 0.775 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(C(F)(F)F)n2)C1 ZINC001047444532 764366081 /nfs/dbraw/zinc/36/60/81/764366081.db2.gz BBVNEMBXLLPHEF-QWRGUYRKSA-N 1 2 331.294 0.834 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(C(F)(F)F)n2)C1 ZINC001047444532 764366088 /nfs/dbraw/zinc/36/60/88/764366088.db2.gz BBVNEMBXLLPHEF-QWRGUYRKSA-N 1 2 331.294 0.834 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccnn3C)[C@@H]2C)nn1 ZINC001088907467 764419676 /nfs/dbraw/zinc/41/96/76/764419676.db2.gz VIGGPACRGMRMAL-OCCSQVGLSA-N 1 2 329.408 0.590 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccnn3C)[C@@H]2C)nn1 ZINC001088907467 764419681 /nfs/dbraw/zinc/41/96/81/764419681.db2.gz VIGGPACRGMRMAL-OCCSQVGLSA-N 1 2 329.408 0.590 20 30 ECEDLO CN(C(=O)c1csnn1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047473714 764445766 /nfs/dbraw/zinc/44/57/66/764445766.db2.gz ZRGRQQKWAKLKRD-GJZGRUSLSA-N 1 2 343.412 0.727 20 30 ECEDLO CN(C(=O)c1csnn1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047473714 764445770 /nfs/dbraw/zinc/44/57/70/764445770.db2.gz ZRGRQQKWAKLKRD-GJZGRUSLSA-N 1 2 343.412 0.727 20 30 ECEDLO C=CCOCC(=O)NC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001052471565 764574903 /nfs/dbraw/zinc/57/49/03/764574903.db2.gz KXWCJFYKINMTNC-ZIAGYGMSSA-N 1 2 334.420 0.756 20 30 ECEDLO C=CCn1cc(C(=O)N(C)[C@H]2C[N@H+](C[C@@H](F)CC)C[C@@H]2O)nn1 ZINC001047553863 764678281 /nfs/dbraw/zinc/67/82/81/764678281.db2.gz BACFEQNDFKNMFA-UBHSHLNASA-N 1 2 325.388 0.329 20 30 ECEDLO C=CCn1cc(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H](F)CC)C[C@@H]2O)nn1 ZINC001047553863 764678289 /nfs/dbraw/zinc/67/82/89/764678289.db2.gz BACFEQNDFKNMFA-UBHSHLNASA-N 1 2 325.388 0.329 20 30 ECEDLO C=CCCn1cc(C(=O)N(C)[C@H]2C[N@H+](C/C=C\Cl)C[C@@H]2O)nn1 ZINC001047557903 764689580 /nfs/dbraw/zinc/68/95/80/764689580.db2.gz PPGROAOKDFOCPJ-LAWSMPECSA-N 1 2 339.827 0.724 20 30 ECEDLO C=CCCn1cc(C(=O)N(C)[C@H]2C[N@@H+](C/C=C\Cl)C[C@@H]2O)nn1 ZINC001047557903 764689586 /nfs/dbraw/zinc/68/95/86/764689586.db2.gz PPGROAOKDFOCPJ-LAWSMPECSA-N 1 2 339.827 0.724 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)[nH]1 ZINC001015472578 764717071 /nfs/dbraw/zinc/71/70/71/764717071.db2.gz FGKFQWYEXZMNEM-STQMWFEESA-N 1 2 340.387 0.798 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)[C@H]1C ZINC001088991339 764723026 /nfs/dbraw/zinc/72/30/26/764723026.db2.gz UZBCNEFRQCGMRB-VWYCJHECSA-N 1 2 330.226 0.753 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)[C@H]1C ZINC001088991339 764723030 /nfs/dbraw/zinc/72/30/30/764723030.db2.gz UZBCNEFRQCGMRB-VWYCJHECSA-N 1 2 330.226 0.753 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)(F)F)ccn2)C1 ZINC001047585734 764782613 /nfs/dbraw/zinc/78/26/13/764782613.db2.gz KTWKAZZGGLMMJO-STQMWFEESA-N 1 2 327.306 0.851 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)(F)F)ccn2)C1 ZINC001047585734 764782623 /nfs/dbraw/zinc/78/26/23/764782623.db2.gz KTWKAZZGGLMMJO-STQMWFEESA-N 1 2 327.306 0.851 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H](C)[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001052600078 764831180 /nfs/dbraw/zinc/83/11/80/764831180.db2.gz SUNRKFRRHYWVIU-LSDHHAIUSA-N 1 2 346.431 0.593 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@H+](Cc3cnn(C)c3)C[C@@H]2O)cn1 ZINC001047602102 764847946 /nfs/dbraw/zinc/84/79/46/764847946.db2.gz ZKUWKEWYGZBVEZ-IRXDYDNUSA-N 1 2 339.399 0.114 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@H]2O)cn1 ZINC001047602102 764847954 /nfs/dbraw/zinc/84/79/54/764847954.db2.gz ZKUWKEWYGZBVEZ-IRXDYDNUSA-N 1 2 339.399 0.114 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3nnnn3C)CC2)cc1 ZINC001052613827 764848191 /nfs/dbraw/zinc/84/81/91/764848191.db2.gz GEUGPKZIASFFDR-MRXNPFEDSA-N 1 2 338.415 0.976 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3nnnn3C)CC2)cc1 ZINC001052613827 764848196 /nfs/dbraw/zinc/84/81/96/764848196.db2.gz GEUGPKZIASFFDR-MRXNPFEDSA-N 1 2 338.415 0.976 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+](Cc3nnnn3C)CC2)c1 ZINC001052694442 764998659 /nfs/dbraw/zinc/99/86/59/764998659.db2.gz SVFWTZJBFHRKEN-HNNXBMFYSA-N 1 2 339.403 0.371 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+](Cc3nnnn3C)CC2)c1 ZINC001052694442 764998665 /nfs/dbraw/zinc/99/86/65/764998665.db2.gz SVFWTZJBFHRKEN-HNNXBMFYSA-N 1 2 339.403 0.371 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCO[C@H](C)C3)C2)C1 ZINC001015676203 765147467 /nfs/dbraw/zinc/14/74/67/765147467.db2.gz IZJPMHLEMMEYIO-HUUCEWRRSA-N 1 2 335.448 0.781 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCO[C@H](C)C3)C2)C1 ZINC001015676203 765147469 /nfs/dbraw/zinc/14/74/69/765147469.db2.gz IZJPMHLEMMEYIO-HUUCEWRRSA-N 1 2 335.448 0.781 20 30 ECEDLO C=CCCOCC(=O)N1C[C@H](C)[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001052841647 765212837 /nfs/dbraw/zinc/21/28/37/765212837.db2.gz PDTSAGFPDHDVHP-UONOGXRCSA-N 1 2 334.420 0.756 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000992066926 765348571 /nfs/dbraw/zinc/34/85/71/765348571.db2.gz KMMBHUDZBHHDKB-CABCVRRESA-N 1 2 332.404 0.271 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccnc(OC)c3)C2)nn1 ZINC001015811504 765371448 /nfs/dbraw/zinc/37/14/48/765371448.db2.gz HGYKELKKHRWKEG-CQSZACIVSA-N 1 2 342.403 0.872 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccnc(OC)c3)C2)nn1 ZINC001015811504 765371456 /nfs/dbraw/zinc/37/14/56/765371456.db2.gz HGYKELKKHRWKEG-CQSZACIVSA-N 1 2 342.403 0.872 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(OC)n3)C2)nn1 ZINC001015813202 765372281 /nfs/dbraw/zinc/37/22/81/765372281.db2.gz MOUWFNCXEDZNNR-AWEZNQCLSA-N 1 2 342.403 0.872 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cccc(OC)n3)C2)nn1 ZINC001015813202 765372290 /nfs/dbraw/zinc/37/22/90/765372290.db2.gz MOUWFNCXEDZNNR-AWEZNQCLSA-N 1 2 342.403 0.872 20 30 ECEDLO Cn1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC001015843505 765427951 /nfs/dbraw/zinc/42/79/51/765427951.db2.gz ADRJGIIDIQLHDR-ZDUSSCGKSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC001015843505 765427954 /nfs/dbraw/zinc/42/79/54/765427954.db2.gz ADRJGIIDIQLHDR-ZDUSSCGKSA-N 1 2 328.351 0.830 20 30 ECEDLO N#CCOc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ncn[nH]3)C2)cc1 ZINC001015871798 765473583 /nfs/dbraw/zinc/47/35/83/765473583.db2.gz SPBLORMWKUXFJJ-ZDUSSCGKSA-N 1 2 326.360 0.711 20 30 ECEDLO N#CCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ncn[nH]3)C2)cc1 ZINC001015871798 765473587 /nfs/dbraw/zinc/47/35/87/765473587.db2.gz SPBLORMWKUXFJJ-ZDUSSCGKSA-N 1 2 326.360 0.711 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ncccc3F)C2)C1=O ZINC001015901302 765516157 /nfs/dbraw/zinc/51/61/57/765516157.db2.gz SFJWONAFOHPTLZ-JSGCOSHPSA-N 1 2 332.379 0.812 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ncccc3F)C2)C1=O ZINC001015901302 765516162 /nfs/dbraw/zinc/51/61/62/765516162.db2.gz SFJWONAFOHPTLZ-JSGCOSHPSA-N 1 2 332.379 0.812 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001053107955 765585270 /nfs/dbraw/zinc/58/52/70/765585270.db2.gz DXUJEXBKNBPWIJ-DZGCQCFKSA-N 1 2 346.431 0.511 20 30 ECEDLO C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001053109527 765590871 /nfs/dbraw/zinc/59/08/71/765590871.db2.gz QYPCMLZPPFKTFB-GXTWGEPZSA-N 1 2 334.420 0.674 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001015967257 765634862 /nfs/dbraw/zinc/63/48/62/765634862.db2.gz BDLGNDDJZLVFAK-STQMWFEESA-N 1 2 330.388 0.339 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001015967257 765634865 /nfs/dbraw/zinc/63/48/65/765634865.db2.gz BDLGNDDJZLVFAK-STQMWFEESA-N 1 2 330.388 0.339 20 30 ECEDLO C=CCOCC(=O)NC[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001053156841 765672049 /nfs/dbraw/zinc/67/20/49/765672049.db2.gz WBOZWICXAJTFCW-CABCVRRESA-N 1 2 348.447 0.766 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccnc(OC)n3)C2)nc1 ZINC001016025694 765729215 /nfs/dbraw/zinc/72/92/15/765729215.db2.gz ZYFBFUBDNJTHIQ-OAHLLOKOSA-N 1 2 337.383 0.866 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccnc(OC)n3)C2)nc1 ZINC001016025694 765729217 /nfs/dbraw/zinc/72/92/17/765729217.db2.gz ZYFBFUBDNJTHIQ-OAHLLOKOSA-N 1 2 337.383 0.866 20 30 ECEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)nc1 ZINC001106104516 765750731 /nfs/dbraw/zinc/75/07/31/765750731.db2.gz NKIGOLLERJSZMF-CHWSQXEVSA-N 1 2 340.387 0.685 20 30 ECEDLO N#Cc1nccnc1NC[C@H](O)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001106104489 765750810 /nfs/dbraw/zinc/75/08/10/765750810.db2.gz MOZIMRAJCVIGEJ-WDEREUQCSA-N 1 2 341.375 0.080 20 30 ECEDLO N#Cc1cnccc1NC[C@@H](O)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001106104478 765751209 /nfs/dbraw/zinc/75/12/09/765751209.db2.gz MMXUIOOGEDPVSZ-CHWSQXEVSA-N 1 2 340.387 0.107 20 30 ECEDLO N#Cc1cnc(NC[C@@H](O)CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)cn1 ZINC001106104108 765755146 /nfs/dbraw/zinc/75/51/46/765755146.db2.gz HPOPPHOXIFWMLW-NEPJUHHUSA-N 1 2 341.375 0.080 20 30 ECEDLO CC[C@H](C[NH+]1CC2(C1)CN(C(=O)c1ccc(C#N)[nH]1)CCO2)OC ZINC001053224119 765787552 /nfs/dbraw/zinc/78/75/52/765787552.db2.gz KZJPJWYQAUWEHR-CQSZACIVSA-N 1 2 332.404 0.838 20 30 ECEDLO C#CCN1CC2(C1)CN(C(=O)Cc1cn3c([nH+]1)CCCC3)CCO2 ZINC001053263647 765865913 /nfs/dbraw/zinc/86/59/13/765865913.db2.gz SSQHRSIEFXAMLA-UHFFFAOYSA-N 1 2 328.416 0.308 20 30 ECEDLO C#CCCN1CC2(C1)CN(C(=O)[C@@H]1CCn3c[nH+]cc3C1)CCO2 ZINC001053313037 765951995 /nfs/dbraw/zinc/95/19/95/765951995.db2.gz VTMXUKXEEGHQBM-OAHLLOKOSA-N 1 2 328.416 0.382 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC(=O)N[C@@H](CC)C1)CCO2 ZINC001053355897 766022615 /nfs/dbraw/zinc/02/26/15/766022615.db2.gz HNPVDWGDUGUDRN-CABCVRRESA-N 1 2 335.448 0.781 20 30 ECEDLO CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCCS(=O)(=O)C3)CCC[C@H]12 ZINC000992271813 766114336 /nfs/dbraw/zinc/11/43/36/766114336.db2.gz OBEYTXOCSVQJCR-YQQAZPJKSA-N 1 2 338.473 0.948 20 30 ECEDLO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCS(=O)(=O)C3)CCC[C@H]12 ZINC000992271813 766114338 /nfs/dbraw/zinc/11/43/38/766114338.db2.gz OBEYTXOCSVQJCR-YQQAZPJKSA-N 1 2 338.473 0.948 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCOC3(C[NH+](CC4CC4)C3)C2)nn1 ZINC001053465037 766178428 /nfs/dbraw/zinc/17/84/28/766178428.db2.gz DGCORNSASIQZJZ-UHFFFAOYSA-N 1 2 331.420 0.791 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc(C(N)=O)s1)CCO2 ZINC001053470773 766188624 /nfs/dbraw/zinc/18/86/24/766188624.db2.gz IMOBVORCKGWQRQ-UHFFFAOYSA-N 1 2 335.429 0.950 20 30 ECEDLO N#CCN1CC2(C1)CN(C(=O)c1cccc(-n3cc[nH+]c3)c1)CCO2 ZINC001053495528 766234684 /nfs/dbraw/zinc/23/46/84/766234684.db2.gz RGXJIFSPUJLHKA-UHFFFAOYSA-N 1 2 337.383 0.923 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c(C)[nH]c(=O)[nH]c1=O ZINC001017781737 768365313 /nfs/dbraw/zinc/36/53/13/768365313.db2.gz KRLJADCVLHIHPT-OKILXGFUSA-N 1 2 344.415 0.827 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c(C)[nH]c(=O)[nH]c1=O ZINC001017781737 768365320 /nfs/dbraw/zinc/36/53/20/768365320.db2.gz KRLJADCVLHIHPT-OKILXGFUSA-N 1 2 344.415 0.827 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@@H]2O)cc1 ZINC001083691387 766363706 /nfs/dbraw/zinc/36/37/06/766363706.db2.gz MULGULGLRVFMSM-VUCTXSBTSA-N 1 2 341.411 0.110 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC3CC3)C[C@@H]2O)cc1 ZINC001083691387 766363714 /nfs/dbraw/zinc/36/37/14/766363714.db2.gz MULGULGLRVFMSM-VUCTXSBTSA-N 1 2 341.411 0.110 20 30 ECEDLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C#CC1CC1 ZINC001212250657 766410329 /nfs/dbraw/zinc/41/03/29/766410329.db2.gz DSPZFYJUCXHCAD-BPLDGKMQSA-N 1 2 335.448 0.518 20 30 ECEDLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C#CC1CC1 ZINC001212250657 766410332 /nfs/dbraw/zinc/41/03/32/766410332.db2.gz DSPZFYJUCXHCAD-BPLDGKMQSA-N 1 2 335.448 0.518 20 30 ECEDLO CO[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C#CC1CC1 ZINC001212251126 766425628 /nfs/dbraw/zinc/42/56/28/766425628.db2.gz QNTOYDJPEQJRJI-BZUAXINKSA-N 1 2 333.432 0.225 20 30 ECEDLO CO[C@@H]1C[N@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C#CC1CC1 ZINC001212251126 766425632 /nfs/dbraw/zinc/42/56/32/766425632.db2.gz QNTOYDJPEQJRJI-BZUAXINKSA-N 1 2 333.432 0.225 20 30 ECEDLO C#CCN1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCc3[nH+]c(C)[nH]c3C1)O2 ZINC001053619918 766451881 /nfs/dbraw/zinc/45/18/81/766451881.db2.gz ZMWWYMXQMNHMNX-LSDHHAIUSA-N 1 2 342.443 0.806 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnc3[nH]c(=O)[nH]c3c1)O2 ZINC001053620138 766453191 /nfs/dbraw/zinc/45/31/91/766453191.db2.gz GXQZDKCVFBZRPK-GFCCVEGCSA-N 1 2 343.387 0.813 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCCC(=O)N1)O2 ZINC001053662249 766534568 /nfs/dbraw/zinc/53/45/68/766534568.db2.gz HATHAWKEZUGLHZ-LSDHHAIUSA-N 1 2 335.448 0.971 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)O2 ZINC001053663029 766536111 /nfs/dbraw/zinc/53/61/11/766536111.db2.gz DFKQCKINQQJUOF-QLFBSQMISA-N 1 2 335.448 0.814 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCC3(C[NH+](CCOC)C3)O2)nn1 ZINC001053676370 766559336 /nfs/dbraw/zinc/55/93/36/766559336.db2.gz AHHFFBVVHKVAMH-ZDUSSCGKSA-N 1 2 335.408 0.074 20 30 ECEDLO C[C@@H](CC(=O)NC[C@H](O)CNc1cncc(C#N)n1)n1cc[nH+]c1 ZINC001106131483 766579793 /nfs/dbraw/zinc/57/97/93/766579793.db2.gz CCHNSUDIYLGDFL-WCQYABFASA-N 1 2 329.364 0.085 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cn([C@H]3CCOC3)nn1)O2 ZINC001053688174 766593043 /nfs/dbraw/zinc/59/30/43/766593043.db2.gz LZDGJLYBHXTJBR-KBPBESRZSA-N 1 2 347.419 0.389 20 30 ECEDLO C[C@H](CC(=O)NC[C@H](O)CNc1ncccc1C#N)n1cc[nH+]c1 ZINC001106132009 766601689 /nfs/dbraw/zinc/60/16/89/766601689.db2.gz PMUVHHXLLAOJMX-OCCSQVGLSA-N 1 2 328.376 0.690 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC[C@@H](C)C3)C[C@@H]2O)C1 ZINC001083763075 766655068 /nfs/dbraw/zinc/65/50/68/766655068.db2.gz WXTJHPMKCQNEID-BMFZPTHFSA-N 1 2 349.475 0.763 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC[C@@H](C)C3)C[C@@H]2O)C1 ZINC001083763075 766655074 /nfs/dbraw/zinc/65/50/74/766655074.db2.gz WXTJHPMKCQNEID-BMFZPTHFSA-N 1 2 349.475 0.763 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3CCCn4nccc43)CC2)C1 ZINC001046037888 766736299 /nfs/dbraw/zinc/73/62/99/766736299.db2.gz BGTFJHDXWYKJCC-HZPDHXFCSA-N 1 2 342.447 0.503 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3ncnc4[nH]ccc43)CC2)C1 ZINC001046042526 766756329 /nfs/dbraw/zinc/75/63/29/766756329.db2.gz XCPOOBITILZWNN-CYBMUJFWSA-N 1 2 339.403 0.265 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)Cc3ccc(=O)[nH]c3)CC2)C1 ZINC001046043294 766760453 /nfs/dbraw/zinc/76/04/53/766760453.db2.gz AYEJMUDQTQTWDG-OAHLLOKOSA-N 1 2 329.404 0.072 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)CCc3cncs3)CC2)C1 ZINC001046064772 766847105 /nfs/dbraw/zinc/84/71/05/766847105.db2.gz UEHREZKXRGOJOU-CQSZACIVSA-N 1 2 333.461 0.818 20 30 ECEDLO CCc1ccc(CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)nc1 ZINC001046065286 766848423 /nfs/dbraw/zinc/84/84/23/766848423.db2.gz JYLMXBIQKOTFER-GOSISDBHSA-N 1 2 341.459 0.929 20 30 ECEDLO Cc1cc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)nc(C)n1 ZINC001046070046 766871844 /nfs/dbraw/zinc/87/18/44/766871844.db2.gz NUFVMZNNGNATOZ-HNNXBMFYSA-N 1 2 328.420 0.449 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCc3c[nH]nc31)CO2 ZINC001053800320 766880542 /nfs/dbraw/zinc/88/05/42/766880542.db2.gz MZTXZNRCGGXQMK-CABCVRRESA-N 1 2 328.416 0.812 20 30 ECEDLO CCCn1cc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)c(C)n1 ZINC001046073914 766888646 /nfs/dbraw/zinc/88/86/46/766888646.db2.gz OJLAYBOEBCZKGP-MRXNPFEDSA-N 1 2 344.463 0.957 20 30 ECEDLO Cc1c(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)nnn1C(C)C ZINC001046074994 766893120 /nfs/dbraw/zinc/89/31/20/766893120.db2.gz MIDBIGACISVLOR-HNNXBMFYSA-N 1 2 345.451 0.523 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc3n[nH]nc31)CO2 ZINC001053814057 766910555 /nfs/dbraw/zinc/91/05/55/766910555.db2.gz GRSXHJANHKNPBA-LBPRGKRZSA-N 1 2 325.372 0.554 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3c[nH]nc3C3CC3)CC2)C1 ZINC001046079522 766914161 /nfs/dbraw/zinc/91/41/61/766914161.db2.gz UTKUGCHTADJCJQ-AWEZNQCLSA-N 1 2 328.420 0.643 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)COc3ccccc3)CC2)C1 ZINC001046081506 766919303 /nfs/dbraw/zinc/91/93/03/766919303.db2.gz ZZICWHXZIHYQLI-INIZCTEOSA-N 1 2 328.416 0.807 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cn4ccccc4n3)CC2)C1 ZINC001046082594 766921959 /nfs/dbraw/zinc/92/19/59/766921959.db2.gz XTSXOJBGCMGRCX-OAHLLOKOSA-N 1 2 338.415 0.690 20 30 ECEDLO Cc1n[nH]c(C)c1CC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046082961 766922108 /nfs/dbraw/zinc/92/21/08/766922108.db2.gz YZNMABKTKBJNIK-HNNXBMFYSA-N 1 2 330.436 0.311 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)OCCc3ccccc32)C1 ZINC001078270235 782594543 /nfs/dbraw/zinc/59/45/43/782594543.db2.gz GEOXVNTXDGOSDP-LMMKCTJWSA-N 1 2 328.412 0.659 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)OCCc3ccccc32)C1 ZINC001078270235 782594547 /nfs/dbraw/zinc/59/45/47/782594547.db2.gz GEOXVNTXDGOSDP-LMMKCTJWSA-N 1 2 328.412 0.659 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc3[nH]c(C)nc3c1)CO2 ZINC001053823068 766943390 /nfs/dbraw/zinc/94/33/90/766943390.db2.gz CNVGOZRLFDHHJT-AWEZNQCLSA-N 1 2 339.399 0.863 20 30 ECEDLO CCN(c1cncc(C#N)n1)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001089674638 767000567 /nfs/dbraw/zinc/00/05/67/767000567.db2.gz NDEPJCYCWRDTGD-LLVKDONJSA-N 1 2 327.392 0.954 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cn(C)nc1COC)CO2 ZINC001053851739 767021278 /nfs/dbraw/zinc/02/12/78/767021278.db2.gz ZJKXGMHQUPRCHA-ZDUSSCGKSA-N 1 2 334.420 0.716 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3nccn3C1)CO2 ZINC001053851786 767021419 /nfs/dbraw/zinc/02/14/19/767021419.db2.gz AVTAOHNEYCVMNM-HUUCEWRRSA-N 1 2 328.416 0.428 20 30 ECEDLO Cn1cnnc1C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21 ZINC001042015754 782601680 /nfs/dbraw/zinc/60/16/80/782601680.db2.gz KWCZDTKGHXHLQZ-DOMZBBRYSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1cnnc1C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21 ZINC001042015754 782601688 /nfs/dbraw/zinc/60/16/88/782601688.db2.gz KWCZDTKGHXHLQZ-DOMZBBRYSA-N 1 2 339.403 0.751 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)CO2 ZINC001053865385 767071608 /nfs/dbraw/zinc/07/16/08/767071608.db2.gz XYKAOFVLTSBREY-KGLIPLIRSA-N 1 2 342.461 0.347 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3nnnn3c1)CO2 ZINC001053869530 767084185 /nfs/dbraw/zinc/08/41/85/767084185.db2.gz OIAOMUGSAXGNAG-ZDUSSCGKSA-N 1 2 328.376 0.274 20 30 ECEDLO CCn1nncc1C[N@@H+]1CC[C@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046252941 767110921 /nfs/dbraw/zinc/11/09/21/767110921.db2.gz MNLLHLUWMSXOMA-INIZCTEOSA-N 1 2 327.392 0.892 20 30 ECEDLO CCn1nncc1C[N@H+]1CC[C@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046252941 767110923 /nfs/dbraw/zinc/11/09/23/767110923.db2.gz MNLLHLUWMSXOMA-INIZCTEOSA-N 1 2 327.392 0.892 20 30 ECEDLO CCN1CCOC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031797015 767220159 /nfs/dbraw/zinc/22/01/59/767220159.db2.gz BSYNWMIZNLLWCO-SFHVURJKSA-N 1 2 342.443 0.827 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c(C)c(C)n[nH]c1=O)CO2 ZINC001053888328 767220315 /nfs/dbraw/zinc/22/03/15/767220315.db2.gz GNLAULXNTFZGPS-CYBMUJFWSA-N 1 2 330.388 0.395 20 30 ECEDLO CCN1CCOC[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031797318 767225742 /nfs/dbraw/zinc/22/57/42/767225742.db2.gz OCQNWYGNNQTJAS-LJQANCHMSA-N 1 2 341.455 0.807 20 30 ECEDLO C#CCOc1ccc(C(=O)N2CC(NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC000994917036 767242701 /nfs/dbraw/zinc/24/27/01/767242701.db2.gz YQGXYWDYOIVHEC-UHFFFAOYSA-N 1 2 338.367 0.536 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(=C)Cl)[C@H](OC)C1 ZINC001212337494 767253690 /nfs/dbraw/zinc/25/36/90/767253690.db2.gz QGNPEKFWPGJGJC-CHWSQXEVSA-N 1 2 343.855 0.883 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)C(=C)Cl)[C@H](OC)C1 ZINC001212337494 767253691 /nfs/dbraw/zinc/25/36/91/767253691.db2.gz QGNPEKFWPGJGJC-CHWSQXEVSA-N 1 2 343.855 0.883 20 30 ECEDLO CC[C@H](C)n1nccc1C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001212340131 767262658 /nfs/dbraw/zinc/26/26/58/767262658.db2.gz CHTBDYQUJGRDQG-ZMSDIMECSA-N 1 2 348.447 0.933 20 30 ECEDLO CC[C@H](C)n1nccc1C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001212340131 767262660 /nfs/dbraw/zinc/26/26/60/767262660.db2.gz CHTBDYQUJGRDQG-ZMSDIMECSA-N 1 2 348.447 0.933 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3nonc3c1)CO2 ZINC001053913454 767340090 /nfs/dbraw/zinc/34/00/90/767340090.db2.gz QQTVWZMZOWXONF-ZDUSSCGKSA-N 1 2 326.356 0.819 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1c[nH]c(=O)cc1OC)CO2 ZINC001053928718 767388518 /nfs/dbraw/zinc/38/85/18/767388518.db2.gz INFCAPGWFCJMBT-GFCCVEGCSA-N 1 2 333.388 0.945 20 30 ECEDLO N#CCN1CC2(C1)C[C@@H](NC(=O)C1([NH+]3CCOCC3)CCCC1)CO2 ZINC001053944672 767418042 /nfs/dbraw/zinc/41/80/42/767418042.db2.gz FPMSZMPIBOIOTO-OAHLLOKOSA-N 1 2 348.447 0.114 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@H]2COC3(C[NH+](C[C@H](C)O)C3)C2)cc1 ZINC001053946460 767424594 /nfs/dbraw/zinc/42/45/94/767424594.db2.gz WYWSRUWSAVSHRM-GOEBONIOSA-N 1 2 344.411 0.653 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NCC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC001060462716 767437765 /nfs/dbraw/zinc/43/77/65/767437765.db2.gz IVYDQGATUGBWRV-GFCCVEGCSA-N 1 2 340.387 0.821 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3n[nH]c(=O)n3c1)CO2 ZINC001053955540 767444410 /nfs/dbraw/zinc/44/44/10/767444410.db2.gz LSQIJIUGYDXSLL-CYBMUJFWSA-N 1 2 343.387 0.584 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc3ncccn3n1)CO2 ZINC001053963183 767469890 /nfs/dbraw/zinc/46/98/90/767469890.db2.gz JGBQUIBYLSNQEK-CYBMUJFWSA-N 1 2 327.388 0.879 20 30 ECEDLO C#CCN1CC2(C1)C[C@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)CO2 ZINC001053972247 767497504 /nfs/dbraw/zinc/49/75/04/767497504.db2.gz AEZFZEJJWRCKML-AWEZNQCLSA-N 1 2 337.383 0.474 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001017056762 767524760 /nfs/dbraw/zinc/52/47/60/767524760.db2.gz RQDYEBISHRTCRS-MNSOJDNVSA-N 1 2 346.431 0.957 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1csc3nccn13)CO2 ZINC001054008952 767586802 /nfs/dbraw/zinc/58/68/02/767586802.db2.gz KORPPJWCFSWMMM-ZDUSSCGKSA-N 1 2 344.440 0.921 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C1CC1)N1CCOCC1)CO2 ZINC001054013165 767597933 /nfs/dbraw/zinc/59/79/33/767597933.db2.gz PLRYSGHJFGHHGO-IAGOWNOFSA-N 1 2 347.459 0.080 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(=O)n(C)o1 ZINC001054038892 767638251 /nfs/dbraw/zinc/63/82/51/767638251.db2.gz NTBWAYMFDXCQHJ-HNNXBMFYSA-N 1 2 325.368 0.768 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(=O)n(C)o1 ZINC001054038892 767638257 /nfs/dbraw/zinc/63/82/57/767638257.db2.gz NTBWAYMFDXCQHJ-HNNXBMFYSA-N 1 2 325.368 0.768 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCNC1=O ZINC001054043118 767641258 /nfs/dbraw/zinc/64/12/58/767641258.db2.gz QFSGEIWTHPTTAR-SJORKVTESA-N 1 2 325.412 0.689 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCCNC1=O ZINC001054043118 767641261 /nfs/dbraw/zinc/64/12/61/767641261.db2.gz QFSGEIWTHPTTAR-SJORKVTESA-N 1 2 325.412 0.689 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1COCCN1CC ZINC001054044982 767644352 /nfs/dbraw/zinc/64/43/52/767644352.db2.gz IVTIYGWYQILZPX-OALUTQOASA-N 1 2 341.455 0.883 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1COCCN1CC ZINC001054044982 767644354 /nfs/dbraw/zinc/64/43/54/767644354.db2.gz IVTIYGWYQILZPX-OALUTQOASA-N 1 2 341.455 0.883 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2csc(C#N)c2)[C@@H](C)C1 ZINC000914395051 767645919 /nfs/dbraw/zinc/64/59/19/767645919.db2.gz AFAMMUPXCXYDSG-RYUDHWBXSA-N 1 2 343.474 0.836 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2csc(C#N)c2)[C@@H](C)C1 ZINC000914395051 767645922 /nfs/dbraw/zinc/64/59/22/767645922.db2.gz AFAMMUPXCXYDSG-RYUDHWBXSA-N 1 2 343.474 0.836 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2csc(C#N)c2)[C@@H](C)C1 ZINC000914395050 767646071 /nfs/dbraw/zinc/64/60/71/767646071.db2.gz AFAMMUPXCXYDSG-NWDGAFQWSA-N 1 2 343.474 0.836 20 30 ECEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2csc(C#N)c2)[C@@H](C)C1 ZINC000914395050 767646074 /nfs/dbraw/zinc/64/60/74/767646074.db2.gz AFAMMUPXCXYDSG-NWDGAFQWSA-N 1 2 343.474 0.836 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1nc2ncccn2n1 ZINC001054056914 767654943 /nfs/dbraw/zinc/65/49/43/767654943.db2.gz WPICQIQTOBCSGK-MRXNPFEDSA-N 1 2 346.394 0.914 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1nc2ncccn2n1 ZINC001054056914 767654948 /nfs/dbraw/zinc/65/49/48/767654948.db2.gz WPICQIQTOBCSGK-MRXNPFEDSA-N 1 2 346.394 0.914 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@]2(CC[N@H+](Cc3nnnn3C3CC3)C2)C1 ZINC001054101605 767690946 /nfs/dbraw/zinc/69/09/46/767690946.db2.gz BEMSRKHIMPGMPK-CXAGYDPISA-N 1 2 343.435 0.982 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@]2(CC[N@@H+](Cc3nnnn3C3CC3)C2)C1 ZINC001054101605 767690950 /nfs/dbraw/zinc/69/09/50/767690950.db2.gz BEMSRKHIMPGMPK-CXAGYDPISA-N 1 2 343.435 0.982 20 30 ECEDLO Cn1nnnc1C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C#CC1CC1)C2 ZINC001054129874 767723404 /nfs/dbraw/zinc/72/34/04/767723404.db2.gz BIZGHRJZFJRVPY-QGZVFWFLSA-N 1 2 328.420 0.438 20 30 ECEDLO Cn1nnnc1C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C#CC1CC1)C2 ZINC001054129874 767723408 /nfs/dbraw/zinc/72/34/08/767723408.db2.gz BIZGHRJZFJRVPY-QGZVFWFLSA-N 1 2 328.420 0.438 20 30 ECEDLO CN(CCOCCNc1ccc(C#N)nc1)C(=O)Cc1c[nH+]cn1C ZINC001127346538 768368866 /nfs/dbraw/zinc/36/88/66/768368866.db2.gz BJVOKIKXYYHULG-UHFFFAOYSA-N 1 2 342.403 0.816 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1 ZINC001055064295 768552323 /nfs/dbraw/zinc/55/23/23/768552323.db2.gz OHUCAKIJUSJCHX-SNPRPXQTSA-N 1 2 337.387 0.550 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N ZINC001055075752 768557718 /nfs/dbraw/zinc/55/77/18/768557718.db2.gz YIDQGMBSZVQAGN-ZLDLUXBVSA-N 1 2 337.387 0.848 20 30 ECEDLO N#Cc1nccc(N[C@@H]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]23)n1 ZINC001060536026 768580462 /nfs/dbraw/zinc/58/04/62/768580462.db2.gz YSYCCROQKWMNHW-HZSPNIEDSA-N 1 2 337.387 0.316 20 30 ECEDLO Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C3)n1 ZINC001055216344 768673712 /nfs/dbraw/zinc/67/37/12/768673712.db2.gz ZKUSEAPGGZCRQC-ILXRZTDVSA-N 1 2 337.387 0.848 20 30 ECEDLO C[C@H]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001018091263 768710692 /nfs/dbraw/zinc/71/06/92/768710692.db2.gz GCLKRNZKLNTFHY-WCQYABFASA-N 1 2 340.387 0.961 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCCOC(C)C)C2)nn1 ZINC001098789713 768715587 /nfs/dbraw/zinc/71/55/87/768715587.db2.gz IHGBHFHBQMGVGE-MRXNPFEDSA-N 1 2 333.436 0.980 20 30 ECEDLO C#CCNCc1cn([C@H]2CCN(C(=O)CCCn3cc[nH+]c3)C2)nn1 ZINC001098790136 768745204 /nfs/dbraw/zinc/74/52/04/768745204.db2.gz PARSOLSOCSYFKQ-INIZCTEOSA-N 1 2 341.419 0.451 20 30 ECEDLO N#Cc1cnccc1N[C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]12 ZINC001060557656 768807111 /nfs/dbraw/zinc/80/71/11/768807111.db2.gz OQLGFWZUOKQXLS-ISTRZQFTSA-N 1 2 336.399 0.990 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N2CCCC2)nn1 ZINC001018156857 768811727 /nfs/dbraw/zinc/81/17/27/768811727.db2.gz DDVFBZJGFRCULS-GASCZTMLSA-N 1 2 325.416 0.999 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N2CCCC2)nn1 ZINC001018156857 768811732 /nfs/dbraw/zinc/81/17/32/768811732.db2.gz DDVFBZJGFRCULS-GASCZTMLSA-N 1 2 325.416 0.999 20 30 ECEDLO C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001018228699 768922363 /nfs/dbraw/zinc/92/23/63/768922363.db2.gz CFJUSQFCUHYUDW-OCCSQVGLSA-N 1 2 340.387 0.892 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cnsn3)C2)CC1 ZINC001018359190 769188547 /nfs/dbraw/zinc/18/85/47/769188547.db2.gz BTIBOFNOFJJJRS-CYBMUJFWSA-N 1 2 349.460 0.721 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCC[C@H](C(=O)N3CC[NH+](CCO)CC3)C2)C1 ZINC001018371599 769228852 /nfs/dbraw/zinc/22/88/52/769228852.db2.gz 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ECEDLO N#Cc1nccc(N2CC[C@@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]32)n1 ZINC001045091719 774962854 /nfs/dbraw/zinc/96/28/54/774962854.db2.gz AUOWXZPLBAYORM-STQMWFEESA-N 1 2 337.387 0.741 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2conc2CC)[C@@H](n2ccnn2)C1 ZINC001070021217 790350228 /nfs/dbraw/zinc/35/02/28/790350228.db2.gz NAVQPPYKULNCRY-CABCVRRESA-N 1 2 328.376 0.507 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2conc2CC)[C@@H](n2ccnn2)C1 ZINC001070021217 790350237 /nfs/dbraw/zinc/35/02/37/790350237.db2.gz NAVQPPYKULNCRY-CABCVRRESA-N 1 2 328.376 0.507 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2[nH]c(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001070027741 790376980 /nfs/dbraw/zinc/37/69/80/790376980.db2.gz XYDZOKGKTGJIMQ-KGLIPLIRSA-N 1 2 327.392 0.297 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2[nH]c(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001070027741 790376990 /nfs/dbraw/zinc/37/69/90/790376990.db2.gz XYDZOKGKTGJIMQ-KGLIPLIRSA-N 1 2 327.392 0.297 20 30 ECEDLO C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001044137255 775768023 /nfs/dbraw/zinc/76/80/23/775768023.db2.gz HOZVLAPJMASLQW-UHFFFAOYSA-N 1 2 346.431 0.731 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+]([C@@H](C)c2nnnn2C)CC1 ZINC001045563901 775805745 /nfs/dbraw/zinc/80/57/45/775805745.db2.gz QKSKDKJJGSKPRB-MJBXVCDLSA-N 1 2 348.451 0.833 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC#CC)C[C@@H]1n1ccnn1 ZINC001070031332 790393124 /nfs/dbraw/zinc/39/31/24/790393124.db2.gz RYNRTYWXCDPSOX-WCVJEAGWSA-N 1 2 329.404 0.234 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC#CC)C[C@@H]1n1ccnn1 ZINC001070031332 790393138 /nfs/dbraw/zinc/39/31/38/790393138.db2.gz RYNRTYWXCDPSOX-WCVJEAGWSA-N 1 2 329.404 0.234 20 30 ECEDLO C#Cc1ccc(C(=O)NC2(C)CC[NH+](Cc3nncn3C)CC2)cn1 ZINC001045623626 775911043 /nfs/dbraw/zinc/91/10/43/775911043.db2.gz WLTWTXLHERALLI-UHFFFAOYSA-N 1 2 338.415 0.976 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](C[C@H](O)Cn3cccn3)C2)nc1 ZINC001044205726 775915906 /nfs/dbraw/zinc/91/59/06/775915906.db2.gz FGGRAPQDKTVACO-INIZCTEOSA-N 1 2 339.399 0.077 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H](CNc2ccnc(C#N)n2)C1 ZINC001068506511 790435722 /nfs/dbraw/zinc/43/57/22/790435722.db2.gz PWKJEYIIKGSZSC-HAQNSBGRSA-N 1 2 325.376 0.053 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001079686378 776684636 /nfs/dbraw/zinc/68/46/36/776684636.db2.gz BMILUSWKJPMIKW-QGZVFWFLSA-N 1 2 334.420 0.647 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001079689397 776691209 /nfs/dbraw/zinc/69/12/09/776691209.db2.gz CAVIKJHKXPJCEW-KRWDZBQOSA-N 1 2 334.420 0.660 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001079776188 776850273 /nfs/dbraw/zinc/85/02/73/776850273.db2.gz CKVUUFZFWLNNOM-AWEZNQCLSA-N 1 2 346.431 0.450 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001079776499 776851149 /nfs/dbraw/zinc/85/11/49/776851149.db2.gz HYDGEBPQXLJUDV-CABCVRRESA-N 1 2 346.431 0.932 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001079966431 777166323 /nfs/dbraw/zinc/16/63/23/777166323.db2.gz URKANIHWOUFIJK-CYBMUJFWSA-N 1 2 332.404 0.440 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001079966431 777166326 /nfs/dbraw/zinc/16/63/26/777166326.db2.gz URKANIHWOUFIJK-CYBMUJFWSA-N 1 2 332.404 0.440 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c3cccnc23)[C@@H](n2ccnn2)C1 ZINC001070074913 790517094 /nfs/dbraw/zinc/51/70/94/790517094.db2.gz MYMJVCFPJXKKPL-CVEARBPZSA-N 1 2 349.398 0.833 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c[nH]c3cccnc23)[C@@H](n2ccnn2)C1 ZINC001070074913 790517105 /nfs/dbraw/zinc/51/71/05/790517105.db2.gz MYMJVCFPJXKKPL-CVEARBPZSA-N 1 2 349.398 0.833 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2[nH]nc3ccccc32)[C@@H](n2ccnn2)C1 ZINC001070087822 790563375 /nfs/dbraw/zinc/56/33/75/790563375.db2.gz MIIZMCCKTRVOQG-CVEARBPZSA-N 1 2 349.398 0.833 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2[nH]nc3ccccc32)[C@@H](n2ccnn2)C1 ZINC001070087822 790563379 /nfs/dbraw/zinc/56/33/79/790563379.db2.gz MIIZMCCKTRVOQG-CVEARBPZSA-N 1 2 349.398 0.833 20 30 ECEDLO CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001080415669 777819368 /nfs/dbraw/zinc/81/93/68/777819368.db2.gz AZJXDKDRWTUXOK-QWHCGFSZSA-N 1 2 329.404 0.664 20 30 ECEDLO CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001080415668 777819457 /nfs/dbraw/zinc/81/94/57/777819457.db2.gz AZJXDKDRWTUXOK-OLZOCXBDSA-N 1 2 329.404 0.664 20 30 ECEDLO CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001080420150 777827306 /nfs/dbraw/zinc/82/73/06/777827306.db2.gz OFVPCLXSOQZMAR-CJNGLKHVSA-N 1 2 343.431 0.903 20 30 ECEDLO CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001080420155 777827652 /nfs/dbraw/zinc/82/76/52/777827652.db2.gz OJHBWHVERWKNGU-CYBMUJFWSA-N 1 2 343.431 0.981 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1Nc1cncc(C#N)n1 ZINC001043164596 777858444 /nfs/dbraw/zinc/85/84/44/777858444.db2.gz WUBAUOVYMYJBJH-DGCLKSJQSA-N 1 2 325.376 0.963 20 30 ECEDLO C=C(C)CCC(=O)NCC1(O)CN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001043316160 778147707 /nfs/dbraw/zinc/14/77/07/778147707.db2.gz XXMNDPOXDFGHCA-UHFFFAOYSA-N 1 2 347.415 0.679 20 30 ECEDLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1Nc1cnc(C#N)cn1 ZINC001043425986 778307823 /nfs/dbraw/zinc/30/78/23/778307823.db2.gz JPPHJWBCCCORGG-TZMCWYRMSA-N 1 2 325.376 0.894 20 30 ECEDLO C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(C#N)n2)C1)n1cc[nH+]c1 ZINC001043543573 778499138 /nfs/dbraw/zinc/49/91/38/778499138.db2.gz PMWFJPRJFNRCDV-HZSPNIEDSA-N 1 2 339.403 0.877 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CC(C)(C)CC)C1 ZINC001043646375 778659280 /nfs/dbraw/zinc/65/92/80/778659280.db2.gz CRCDFRUMOYXZOA-HNNXBMFYSA-N 1 2 349.475 0.600 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CC(C)(C)CC)C1 ZINC001043646375 778659283 /nfs/dbraw/zinc/65/92/83/778659283.db2.gz CRCDFRUMOYXZOA-HNNXBMFYSA-N 1 2 349.475 0.600 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001043675944 778703078 /nfs/dbraw/zinc/70/30/78/778703078.db2.gz ZMUJAQOTXAQFDB-MGPQQGTHSA-N 1 2 346.431 0.805 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001043675944 778703082 /nfs/dbraw/zinc/70/30/82/778703082.db2.gz ZMUJAQOTXAQFDB-MGPQQGTHSA-N 1 2 346.431 0.805 20 30 ECEDLO O=C(C#CC1CC1)NC1(CNC(=O)CCc2c[nH]c[nH+]2)CCOCC1 ZINC001070112426 790645502 /nfs/dbraw/zinc/64/55/02/790645502.db2.gz YJOLEQOCSWUFGP-UHFFFAOYSA-N 1 2 344.415 0.537 20 30 ECEDLO O=C(C#CC1CC1)NC1(CNC(=O)CCc2c[nH+]c[nH]2)CCOCC1 ZINC001070112426 790645507 /nfs/dbraw/zinc/64/55/07/790645507.db2.gz YJOLEQOCSWUFGP-UHFFFAOYSA-N 1 2 344.415 0.537 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001070112538 790645666 /nfs/dbraw/zinc/64/56/66/790645666.db2.gz FIBHKIPKZDNJRJ-BMFZPTHFSA-N 1 2 341.419 0.180 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)c2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001070112538 790645671 /nfs/dbraw/zinc/64/56/71/790645671.db2.gz FIBHKIPKZDNJRJ-BMFZPTHFSA-N 1 2 341.419 0.180 20 30 ECEDLO C=CCC1(C(=O)NCC2(O)CN(C(=O)Cc3[nH]cc[nH+]3)C2)CCCC1 ZINC001043823105 778915482 /nfs/dbraw/zinc/91/54/82/778915482.db2.gz OBTJIPNDNGCAQB-UHFFFAOYSA-N 1 2 346.431 0.778 20 30 ECEDLO CCc1nc(C#N)cc(N2C[C@@H](C)[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001042542746 780413389 /nfs/dbraw/zinc/41/33/89/780413389.db2.gz PUVWYYQCDKLIBO-BXUZGUMPSA-N 1 2 339.403 0.817 20 30 ECEDLO Cc1noc(CCC[NH+]2CC(N(C)C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001042629184 780553599 /nfs/dbraw/zinc/55/35/99/780553599.db2.gz USLYIWUCKIPRKB-UHFFFAOYSA-N 1 2 328.376 0.967 20 30 ECEDLO C=CCOCC(=O)N(C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001078885157 780582637 /nfs/dbraw/zinc/58/26/37/780582637.db2.gz VPNJOPRTMAHMGW-CQSZACIVSA-N 1 2 334.420 0.994 20 30 ECEDLO C#CCCCCC(=O)NCC1(O)CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001042659034 780599467 /nfs/dbraw/zinc/59/94/67/780599467.db2.gz XNBIBPXLLZJJTR-UHFFFAOYSA-N 1 2 346.431 0.236 20 30 ECEDLO C#CCCCCC(=O)NCC1(O)CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001042664250 780608453 /nfs/dbraw/zinc/60/84/53/780608453.db2.gz RGSDYMWIXYTQET-UHFFFAOYSA-N 1 2 332.404 0.225 20 30 ECEDLO C#CCCCCC(=O)NCC1(O)CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001042664250 780608458 /nfs/dbraw/zinc/60/84/58/780608458.db2.gz RGSDYMWIXYTQET-UHFFFAOYSA-N 1 2 332.404 0.225 20 30 ECEDLO CN(C(=O)Cn1cc[nH+]c1)[C@H]1CCCN(C(=O)CSCC#N)CC1 ZINC001078992502 780685330 /nfs/dbraw/zinc/68/53/30/780685330.db2.gz FYYDPODAKFMUTN-AWEZNQCLSA-N 1 2 349.460 0.979 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001078995818 780687750 /nfs/dbraw/zinc/68/77/50/780687750.db2.gz ZXVUFLPTVARRHX-HZPDHXFCSA-N 1 2 346.431 0.761 20 30 ECEDLO N#CCN1CCC2(CN(C(=O)CCn3cc[nH+]c3)[C@@H]3COC[C@@H]32)CC1 ZINC001079254817 780928362 /nfs/dbraw/zinc/92/83/62/780928362.db2.gz XGDUNKCJQIXRTD-JKSUJKDBSA-N 1 2 343.431 0.736 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2n[nH]c(C3CC3)n2)C1 ZINC001042960024 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327.812 0.857 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)CC[C@H]1C ZINC001072058727 785593154 /nfs/dbraw/zinc/59/31/54/785593154.db2.gz QQIPOUKZNOCMHQ-NEPJUHHUSA-N 1 2 327.812 0.857 20 30 ECEDLO C[C@H]1CC[C@@H](NC(=O)c2nnn(C)n2)C[N@@H+]1CC#Cc1ccccc1 ZINC001071746076 785628866 /nfs/dbraw/zinc/62/88/66/785628866.db2.gz WLPSUBODUBWLTF-GOEBONIOSA-N 1 2 338.415 0.845 20 30 ECEDLO C[C@H]1CC[C@@H](NC(=O)c2nnn(C)n2)C[N@H+]1CC#Cc1ccccc1 ZINC001071746076 785628869 /nfs/dbraw/zinc/62/88/69/785628869.db2.gz WLPSUBODUBWLTF-GOEBONIOSA-N 1 2 338.415 0.845 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](C)C1 ZINC001072100197 785668788 /nfs/dbraw/zinc/66/87/88/785668788.db2.gz DKPIMMARXMCIED-HOCLYGCPSA-N 1 2 346.431 0.356 20 30 ECEDLO C=CCCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001072338721 786044013 /nfs/dbraw/zinc/04/40/13/786044013.db2.gz HSSCTGYKXNMEIN-CABCVRRESA-N 1 2 334.420 0.829 20 30 ECEDLO C=CCCOCC(=O)N[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001072453275 786207165 /nfs/dbraw/zinc/20/71/65/786207165.db2.gz INBCHZHOTCPCNY-GJZGRUSLSA-N 1 2 334.420 0.829 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@@H](NC(=O)CSCC#N)C1 ZINC001072480193 786249361 /nfs/dbraw/zinc/24/93/61/786249361.db2.gz AHUAVYDQMYKZMI-MFKMUULPSA-N 1 2 335.433 0.481 20 30 ECEDLO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CCC2(CN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001072553267 786357330 /nfs/dbraw/zinc/35/73/30/786357330.db2.gz WZOCXSBIATUOBI-QWHCGFSZSA-N 1 2 342.403 0.498 20 30 ECEDLO C[C@H](C(=O)Nc1ncccn1)[N@H+]1CCC2(CN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001072553267 786357335 /nfs/dbraw/zinc/35/73/35/786357335.db2.gz WZOCXSBIATUOBI-QWHCGFSZSA-N 1 2 342.403 0.498 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccnc4ccnn43)C[C@@H]21 ZINC001074263908 786540022 /nfs/dbraw/zinc/54/00/22/786540022.db2.gz PGIWBLXOCJXLOI-HOTGVXAUSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccnc4ccnn43)C[C@@H]21 ZINC001074263908 786540025 /nfs/dbraw/zinc/54/00/25/786540025.db2.gz PGIWBLXOCJXLOI-HOTGVXAUSA-N 1 2 339.399 0.668 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C[C@H]21 ZINC001074273083 786561618 /nfs/dbraw/zinc/56/16/18/786561618.db2.gz DKKYMKUEAUEMGX-CVEARBPZSA-N 1 2 331.416 0.877 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C[C@H]21 ZINC001074273083 786561623 /nfs/dbraw/zinc/56/16/23/786561623.db2.gz DKKYMKUEAUEMGX-CVEARBPZSA-N 1 2 331.416 0.877 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)nc3CC)C[C@@H]21 ZINC001074273169 786561847 /nfs/dbraw/zinc/56/18/47/786561847.db2.gz FFAZPWDXOFUBDB-IRXDYDNUSA-N 1 2 330.432 0.921 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)nc3CC)C[C@@H]21 ZINC001074273169 786561852 /nfs/dbraw/zinc/56/18/52/786561852.db2.gz FFAZPWDXOFUBDB-IRXDYDNUSA-N 1 2 330.432 0.921 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)nc3COC)C[C@H]21 ZINC001074279102 786575445 /nfs/dbraw/zinc/57/54/45/786575445.db2.gz FZVWALZJULEGTC-IAGOWNOFSA-N 1 2 346.431 0.505 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)nc3COC)C[C@H]21 ZINC001074279102 786575450 /nfs/dbraw/zinc/57/54/50/786575450.db2.gz FZVWALZJULEGTC-IAGOWNOFSA-N 1 2 346.431 0.505 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnn(C)c3CC)C[C@H]21 ZINC001074285764 786596160 /nfs/dbraw/zinc/59/61/60/786596160.db2.gz GWFKZCLNQXRIHK-IAGOWNOFSA-N 1 2 330.432 0.921 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnn(C)c3CC)C[C@H]21 ZINC001074285764 786596166 /nfs/dbraw/zinc/59/61/66/786596166.db2.gz GWFKZCLNQXRIHK-IAGOWNOFSA-N 1 2 330.432 0.921 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ncnc4[nH]ccc43)C[C@@H]21 ZINC001074286786 786598600 /nfs/dbraw/zinc/59/86/00/786598600.db2.gz RHOMCPWTPKIIDB-LSDHHAIUSA-N 1 2 339.399 0.848 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ncnc4[nH]ccc43)C[C@@H]21 ZINC001074286786 786598609 /nfs/dbraw/zinc/59/86/09/786598609.db2.gz RHOMCPWTPKIIDB-LSDHHAIUSA-N 1 2 339.399 0.848 20 30 ECEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)o3)C[C@@H]21 ZINC001074294711 786616617 /nfs/dbraw/zinc/61/66/17/786616617.db2.gz RMDUTKLLNRXNSR-STQMWFEESA-N 1 2 333.388 0.870 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)o3)C[C@@H]21 ZINC001074294711 786616621 /nfs/dbraw/zinc/61/66/21/786616621.db2.gz RMDUTKLLNRXNSR-STQMWFEESA-N 1 2 333.388 0.870 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)Cc3cn(CC)nn3)C[C@@H]21 ZINC001074302835 786635269 /nfs/dbraw/zinc/63/52/69/786635269.db2.gz XVTOLWALIMBBDG-HOTGVXAUSA-N 1 2 333.436 0.718 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3cn(CC)nn3)C[C@@H]21 ZINC001074302835 786635274 /nfs/dbraw/zinc/63/52/74/786635274.db2.gz XVTOLWALIMBBDG-HOTGVXAUSA-N 1 2 333.436 0.718 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)c(C)n[nH]c3=O)C[C@H]21 ZINC001074309384 786646303 /nfs/dbraw/zinc/64/63/03/786646303.db2.gz DBUSAJKLWZJVRH-HUUCEWRRSA-N 1 2 344.415 0.738 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)c(C)n[nH]c3=O)C[C@H]21 ZINC001074309384 786646313 /nfs/dbraw/zinc/64/63/13/786646313.db2.gz DBUSAJKLWZJVRH-HUUCEWRRSA-N 1 2 344.415 0.738 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3cnn(C)n3)C[C@H]21 ZINC001074337665 786702853 /nfs/dbraw/zinc/70/28/53/786702853.db2.gz AFZRXPGTYCNRFH-HZPDHXFCSA-N 1 2 333.436 0.626 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3cnn(C)n3)C[C@H]21 ZINC001074337665 786702860 /nfs/dbraw/zinc/70/28/60/786702860.db2.gz AFZRXPGTYCNRFH-HZPDHXFCSA-N 1 2 333.436 0.626 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3cn(C)nc3C)C[C@H]21 ZINC001074351791 786733998 /nfs/dbraw/zinc/73/39/98/786733998.db2.gz UDQCELPJEUPXTL-QZTJIDSGSA-N 1 2 344.459 0.986 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3cn(C)nc3C)C[C@H]21 ZINC001074351791 786734002 /nfs/dbraw/zinc/73/40/02/786734002.db2.gz UDQCELPJEUPXTL-QZTJIDSGSA-N 1 2 344.459 0.986 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@H]3OCC[N@@H+](CCCO)[C@H]3C2)nn1 ZINC001074353076 786735967 /nfs/dbraw/zinc/73/59/67/786735967.db2.gz BPJNKUSVWCRRJA-JKSUJKDBSA-N 1 2 349.435 0.152 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@H]3OCC[N@H+](CCCO)[C@H]3C2)nn1 ZINC001074353076 786735972 /nfs/dbraw/zinc/73/59/72/786735972.db2.gz BPJNKUSVWCRRJA-JKSUJKDBSA-N 1 2 349.435 0.152 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)C[C@@H]21 ZINC001074362507 786757565 /nfs/dbraw/zinc/75/75/65/786757565.db2.gz GKZJXNQOUOHXAT-HOTGVXAUSA-N 1 2 344.415 0.202 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)C[C@@H]21 ZINC001074362507 786757570 /nfs/dbraw/zinc/75/75/70/786757570.db2.gz GKZJXNQOUOHXAT-HOTGVXAUSA-N 1 2 344.415 0.202 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCc3cncn3C)C[C@H]21 ZINC001074395375 786844224 /nfs/dbraw/zinc/84/42/24/786844224.db2.gz RZCCOUYAVBGSHW-SJORKVTESA-N 1 2 330.432 0.678 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCc3cncn3C)C[C@H]21 ZINC001074395375 786844233 /nfs/dbraw/zinc/84/42/33/786844233.db2.gz RZCCOUYAVBGSHW-SJORKVTESA-N 1 2 330.432 0.678 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001073642613 786852986 /nfs/dbraw/zinc/85/29/86/786852986.db2.gz PBCJUFJHASQETP-MJBXVCDLSA-N 1 2 332.828 0.750 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001073642613 786852994 /nfs/dbraw/zinc/85/29/94/786852994.db2.gz PBCJUFJHASQETP-MJBXVCDLSA-N 1 2 332.828 0.750 20 30 ECEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 ZINC001074402990 786868587 /nfs/dbraw/zinc/86/85/87/786868587.db2.gz ORCBULRLHZAITH-STQMWFEESA-N 1 2 345.403 0.067 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 ZINC001074402990 786868597 /nfs/dbraw/zinc/86/85/97/786868597.db2.gz ORCBULRLHZAITH-STQMWFEESA-N 1 2 345.403 0.067 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@@H]21 ZINC001074404704 786874884 /nfs/dbraw/zinc/87/48/84/786874884.db2.gz GXBPCLCMAGWQQW-LSDHHAIUSA-N 1 2 332.404 0.605 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@@H]21 ZINC001074404704 786874893 /nfs/dbraw/zinc/87/48/93/786874893.db2.gz GXBPCLCMAGWQQW-LSDHHAIUSA-N 1 2 332.404 0.605 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@H]21 ZINC001074410146 786895340 /nfs/dbraw/zinc/89/53/40/786895340.db2.gz MYJKXBUMZOABQK-CABCVRRESA-N 1 2 342.399 0.119 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@H]21 ZINC001074410146 786895348 /nfs/dbraw/zinc/89/53/48/786895348.db2.gz MYJKXBUMZOABQK-CABCVRRESA-N 1 2 342.399 0.119 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)cn3)C[C@H]21 ZINC001074417059 786917745 /nfs/dbraw/zinc/91/77/45/786917745.db2.gz HXAABAKVSHDSGR-CVEARBPZSA-N 1 2 342.399 0.119 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)cn3)C[C@H]21 ZINC001074417059 786917747 /nfs/dbraw/zinc/91/77/47/786917747.db2.gz HXAABAKVSHDSGR-CVEARBPZSA-N 1 2 342.399 0.119 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)C(C)C)CC1 ZINC001074482534 787039908 /nfs/dbraw/zinc/03/99/08/787039908.db2.gz QMMPPMAIADQXFI-HNNXBMFYSA-N 1 2 335.448 0.210 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)C(C)C)CC1 ZINC001074482534 787039916 /nfs/dbraw/zinc/03/99/16/787039916.db2.gz QMMPPMAIADQXFI-HNNXBMFYSA-N 1 2 335.448 0.210 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccn(C)n2)CCCO1 ZINC001073774199 787178509 /nfs/dbraw/zinc/17/85/09/787178509.db2.gz BREHTGYVKRHFRZ-ZACQAIPSSA-N 1 2 348.447 0.718 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccn(C)n2)CCCO1 ZINC001073774199 787178516 /nfs/dbraw/zinc/17/85/16/787178516.db2.gz BREHTGYVKRHFRZ-ZACQAIPSSA-N 1 2 348.447 0.718 20 30 ECEDLO C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001074600054 787369341 /nfs/dbraw/zinc/36/93/41/787369341.db2.gz WPPCMFCHUDDYON-CHWSQXEVSA-N 1 2 347.419 0.218 20 30 ECEDLO C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001074600054 787369351 /nfs/dbraw/zinc/36/93/51/787369351.db2.gz WPPCMFCHUDDYON-CHWSQXEVSA-N 1 2 347.419 0.218 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC001073863501 787394576 /nfs/dbraw/zinc/39/45/76/787394576.db2.gz SIHWIXLKYHZYEX-GJZGRUSLSA-N 1 2 343.855 0.957 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC001073863501 787394587 /nfs/dbraw/zinc/39/45/87/787394587.db2.gz SIHWIXLKYHZYEX-GJZGRUSLSA-N 1 2 343.855 0.957 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NCC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001074631994 787454174 /nfs/dbraw/zinc/45/41/74/787454174.db2.gz PKFIQEUTHVRGOU-OAHLLOKOSA-N 1 2 348.447 0.955 20 30 ECEDLO C=CC(C)(C)C(=O)NCC1(O)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001074646040 787492136 /nfs/dbraw/zinc/49/21/36/787492136.db2.gz IOBORIBKXOMEOA-UHFFFAOYSA-N 1 2 348.447 0.645 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001074148794 787942833 /nfs/dbraw/zinc/94/28/33/787942833.db2.gz AVUKBEHJJODMHA-NWDGAFQWSA-N 1 2 335.433 0.562 20 30 ECEDLO Cn1ncc(C[N@@H+]2CCC3(CN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n1 ZINC001072592855 788386496 /nfs/dbraw/zinc/38/64/96/788386496.db2.gz RPVSRLWVJCXKLE-UHFFFAOYSA-N 1 2 325.376 0.363 20 30 ECEDLO Cn1ncc(C[N@H+]2CCC3(CN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n1 ZINC001072592855 788386501 /nfs/dbraw/zinc/38/65/01/788386501.db2.gz RPVSRLWVJCXKLE-UHFFFAOYSA-N 1 2 325.376 0.363 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001074965204 788632591 /nfs/dbraw/zinc/63/25/91/788632591.db2.gz CDPRTJQOMMPDAV-HUUCEWRRSA-N 1 2 346.431 0.878 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001074992807 788683528 /nfs/dbraw/zinc/68/35/28/788683528.db2.gz JKVPRYAKYFKVAF-KGLIPLIRSA-N 1 2 332.404 0.488 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001075048891 788797788 /nfs/dbraw/zinc/79/77/88/788797788.db2.gz UOHLEGNEEFTILU-GJZGRUSLSA-N 1 2 334.420 0.972 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001075078953 788862613 /nfs/dbraw/zinc/86/26/13/788862613.db2.gz FUWGCGRBDGELEN-GJZGRUSLSA-N 1 2 346.431 0.498 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@H+]2C[C@@H]3CCN(C(=O)COC)[C@@H]3C2)c1 ZINC001075465178 789389121 /nfs/dbraw/zinc/38/91/21/789389121.db2.gz KUMAYBZWJJOFTE-DOTOQJQBSA-N 1 2 341.411 0.786 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCN(C(=O)COC)[C@@H]3C2)c1 ZINC001075465178 789389127 /nfs/dbraw/zinc/38/91/27/789389127.db2.gz KUMAYBZWJJOFTE-DOTOQJQBSA-N 1 2 341.411 0.786 20 30 ECEDLO N#Cc1ccc(N2CC[C@@]3(NC(=O)Cc4[nH]cc[nH+]4)CCC[C@@H]23)nn1 ZINC001069270856 789721799 /nfs/dbraw/zinc/72/17/99/789721799.db2.gz IDIYMDWGCRKMIE-DYVFJYSZSA-N 1 2 337.387 0.932 20 30 ECEDLO N#Cc1nccc(N2CC[C@@]3(NC(=O)Cc4c[nH]c[nH+]4)CCC[C@H]23)n1 ZINC001069291402 789735958 /nfs/dbraw/zinc/73/59/58/789735958.db2.gz LSEMBYUSDBLFQQ-GUYCJALGSA-N 1 2 337.387 0.932 20 30 ECEDLO C#CCOCCC(=O)N1CCC(CC)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001069374531 789782141 /nfs/dbraw/zinc/78/21/41/789782141.db2.gz PMEXDWOEACNTHV-UHFFFAOYSA-N 1 2 346.431 0.880 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001073394725 789786540 /nfs/dbraw/zinc/78/65/40/789786540.db2.gz HIHGRVBUFRUPIF-CABCVRRESA-N 1 2 346.431 0.665 20 30 ECEDLO CN(C(=O)Cc1c[nH+]cn1C)C1CC(Nc2cnc(C#N)cn2)C1 ZINC001069755938 790012061 /nfs/dbraw/zinc/01/20/61/790012061.db2.gz PDLCBUDJYFMKAF-UHFFFAOYSA-N 1 2 325.376 0.726 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccnn2CC(F)F)[C@@H](n2ccnn2)C1 ZINC001069927052 790197948 /nfs/dbraw/zinc/19/79/48/790197948.db2.gz GUDGYXSSKALTGT-YPMHNXCESA-N 1 2 349.345 0.028 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccnn2CC(F)F)[C@@H](n2ccnn2)C1 ZINC001069927052 790197950 /nfs/dbraw/zinc/19/79/50/790197950.db2.gz GUDGYXSSKALTGT-YPMHNXCESA-N 1 2 349.345 0.028 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)nnc2C)[C@@H](n2ccnn2)C1 ZINC001069937860 790211721 /nfs/dbraw/zinc/21/17/21/790211721.db2.gz ROSFXFCQPUMXQP-CVEARBPZSA-N 1 2 339.403 0.364 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)nnc2C)[C@@H](n2ccnn2)C1 ZINC001069937860 790211723 /nfs/dbraw/zinc/21/17/23/790211723.db2.gz ROSFXFCQPUMXQP-CVEARBPZSA-N 1 2 339.403 0.364 20 30 ECEDLO C=CCCC(=O)N1CC2(C1)C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)CO2 ZINC001068838273 791233843 /nfs/dbraw/zinc/23/38/43/791233843.db2.gz GFDHOEAPEJCFOM-CYBMUJFWSA-N 1 2 332.404 0.795 20 30 ECEDLO CC(C)C#CC(=O)N[C@@H]1COC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001068858830 791278845 /nfs/dbraw/zinc/27/88/45/791278845.db2.gz KHXAGISGJVMCHI-AWEZNQCLSA-N 1 2 330.388 0.029 20 30 ECEDLO CC(C)(C)C#CC(=O)N[C@H]1COC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001068863462 791295246 /nfs/dbraw/zinc/29/52/46/791295246.db2.gz XITMXNCFOAJNLD-CQSZACIVSA-N 1 2 344.415 0.488 20 30 ECEDLO C=CC(C)(C)C(=O)N[C@@H]1COC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001068947073 791483153 /nfs/dbraw/zinc/48/31/53/791483153.db2.gz AJEAYAPKHGMNHR-ZDUSSCGKSA-N 1 2 346.431 0.661 20 30 ECEDLO CC(C)(C)C#CC(=O)N1CC2(C1)C[C@H](NC(=O)Cc1c[nH]c[nH+]1)CO2 ZINC001069058812 791665359 /nfs/dbraw/zinc/66/53/59/791665359.db2.gz KNENTDQAKGMATR-AWEZNQCLSA-N 1 2 344.415 0.488 20 30 ECEDLO N#Cc1cnc(NC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CCO2)cn1 ZINC001066688001 791992397 /nfs/dbraw/zinc/99/23/97/791992397.db2.gz QYJPDOWLZQPHFJ-CQSZACIVSA-N 1 2 341.375 0.343 20 30 ECEDLO N#Cc1cnc(NC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CCO2)cn1 ZINC001066688001 791992404 /nfs/dbraw/zinc/99/24/04/791992404.db2.gz QYJPDOWLZQPHFJ-CQSZACIVSA-N 1 2 341.375 0.343 20 30 ECEDLO N#Cc1cnc(N2CC[NH+]([C@@H]3CCN(C(=O)C4CCC4)C3)CC2)cn1 ZINC001066693873 792008715 /nfs/dbraw/zinc/00/87/15/792008715.db2.gz GRKLZRWYPDDOQH-MRXNPFEDSA-N 1 2 340.431 0.871 20 30 ECEDLO N#Cc1nccc(N2CCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)n1 ZINC001066793532 792174983 /nfs/dbraw/zinc/17/49/83/792174983.db2.gz IOXBSJNWROFWFQ-LBPRGKRZSA-N 1 2 325.376 0.789 20 30 ECEDLO N#Cc1cccnc1N[C@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001066908909 792350561 /nfs/dbraw/zinc/35/05/61/792350561.db2.gz LFDLJXULTPTVFL-QGZVFWFLSA-N 1 2 340.387 0.615 20 30 ECEDLO N#Cc1cncc(N[C@@]2(CO)CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001066910747 792361575 /nfs/dbraw/zinc/36/15/75/792361575.db2.gz VFHSRPICXDZVHW-INIZCTEOSA-N 1 2 341.375 0.079 20 30 ECEDLO Cc1cc(C#N)nc(NCC2CC(NC(=O)Cc3c[nH+]cn3C)C2)n1 ZINC001067856528 792380518 /nfs/dbraw/zinc/38/05/18/792380518.db2.gz DZXNUTRCJANVKS-UHFFFAOYSA-N 1 2 339.403 0.940 20 30 ECEDLO C[C@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067967803 792522050 /nfs/dbraw/zinc/52/20/50/792522050.db2.gz ROCAYYQIZLYQSZ-AAEUAGOBSA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1Nc1nccnc1C#N ZINC001067085313 792684055 /nfs/dbraw/zinc/68/40/55/792684055.db2.gz ZCSJUKODCXRRRX-YPMHNXCESA-N 1 2 325.376 0.963 20 30 ECEDLO CC1(C)CN(c2nccnc2C#N)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001068119615 792704503 /nfs/dbraw/zinc/70/45/03/792704503.db2.gz RVRRIUDZRRNRDW-LBPRGKRZSA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1Nc1cncc(C#N)n1 ZINC001067129529 792731719 /nfs/dbraw/zinc/73/17/19/792731719.db2.gz WWCFFQXCICDCGT-WFASDCNBSA-N 1 2 339.403 0.973 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1Nc1ccc(C#N)nn1 ZINC001067129539 792731796 /nfs/dbraw/zinc/73/17/96/792731796.db2.gz XIMAYCJELYQUHF-DOMZBBRYSA-N 1 2 339.403 0.973 20 30 ECEDLO C[C@H](Nc1cncc(C#N)n1)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001068235966 792892587 /nfs/dbraw/zinc/89/25/87/792892587.db2.gz ZNSCWBHIZUVTBN-GXTWGEPZSA-N 1 2 341.375 0.273 20 30 ECEDLO C[C@H](Nc1cncc(C#N)n1)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001068235829 792892642 /nfs/dbraw/zinc/89/26/42/792892642.db2.gz AZJFFHWLESUNDL-AAEUAGOBSA-N 1 2 341.375 0.342 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001067292450 792945794 /nfs/dbraw/zinc/94/57/94/792945794.db2.gz NMBBMYCJVRABGF-QGZVFWFLSA-N 1 2 336.436 0.895 20 30 ECEDLO C[C@H]1C[C@H](CNc2ccnc(C#N)n2)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001068322736 793043448 /nfs/dbraw/zinc/04/34/48/793043448.db2.gz DKDGAHIHSOINBT-QWHCGFSZSA-N 1 2 339.403 0.775 20 30 ECEDLO C=CCCC(=O)N1CCOC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001068346482 793094064 /nfs/dbraw/zinc/09/40/64/793094064.db2.gz RIJDAZBUSRNQQS-UHFFFAOYSA-N 1 2 332.404 0.667 20 30 ECEDLO C[C@H]1CN(c2cncc(C#N)n2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067405933 793108737 /nfs/dbraw/zinc/10/87/37/793108737.db2.gz OTDUKCDELQGHDW-SWLSCSKDSA-N 1 2 339.403 0.655 20 30 ECEDLO C[C@H]1CN(c2cnc(C#N)cn2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067406285 793108902 /nfs/dbraw/zinc/10/89/02/793108902.db2.gz VFGXSMKFNRMPRS-SWLSCSKDSA-N 1 2 339.403 0.655 20 30 ECEDLO C=CCCCC(=O)N1CC2(C1)CN(C(=O)Cn1cc[nH+]c1)CCO2 ZINC001068409456 793252414 /nfs/dbraw/zinc/25/24/14/793252414.db2.gz HKLGTNOJLDUTDP-UHFFFAOYSA-N 1 2 332.404 0.679 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CN(C(=O)Cn1cc[nH+]c1)CCO2 ZINC001068409827 793253518 /nfs/dbraw/zinc/25/35/18/793253518.db2.gz WLCXTXBAUYTWDU-UHFFFAOYSA-N 1 2 346.431 0.925 20 30 ECEDLO C=CCCCC(=O)N1CC2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)CCO2 ZINC001068442676 793321424 /nfs/dbraw/zinc/32/14/24/793321424.db2.gz WFJKGNBBOYTOOQ-UHFFFAOYSA-N 1 2 332.404 0.748 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)c2oc(C)nc2C)C1 ZINC001267453570 837438913 /nfs/dbraw/zinc/43/89/13/837438913.db2.gz FLBRUKHDLHLPJJ-HNNXBMFYSA-N 1 2 346.431 0.967 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2oc(C)nc2C)C1 ZINC001267453570 837438917 /nfs/dbraw/zinc/43/89/17/837438917.db2.gz FLBRUKHDLHLPJJ-HNNXBMFYSA-N 1 2 346.431 0.967 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)C(F)C(F)(F)F)C1 ZINC001267559193 837767148 /nfs/dbraw/zinc/76/71/48/837767148.db2.gz PQQHWPBCUYDYCY-ONGXEEELSA-N 1 2 338.305 0.355 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)C(F)C(F)(F)F)C1 ZINC001267559193 837767156 /nfs/dbraw/zinc/76/71/56/837767156.db2.gz PQQHWPBCUYDYCY-ONGXEEELSA-N 1 2 338.305 0.355 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001267559193 837767165 /nfs/dbraw/zinc/76/71/65/837767165.db2.gz PQQHWPBCUYDYCY-ONGXEEELSA-N 1 2 338.305 0.355 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001267559193 837767174 /nfs/dbraw/zinc/76/71/74/837767174.db2.gz PQQHWPBCUYDYCY-ONGXEEELSA-N 1 2 338.305 0.355 20 30 ECEDLO CC#CCN1CC[NH+](CCN(C)C(=O)COCc2nccn2C)CC1 ZINC001267573086 837812407 /nfs/dbraw/zinc/81/24/07/837812407.db2.gz IJPYSGWCFZHPQA-UHFFFAOYSA-N 1 2 347.463 0.036 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)Cc1cn2ccccc2n1 ZINC001267572967 837813078 /nfs/dbraw/zinc/81/30/78/837813078.db2.gz DFEKCUCYIZVNCP-UHFFFAOYSA-N 1 2 340.431 0.476 20 30 ECEDLO CN(CC[NH+]1CCN(CC(=O)NCC#N)CC1)C(=O)CC(C)(C)C ZINC001267573223 837814175 /nfs/dbraw/zinc/81/41/75/837814175.db2.gz CLURJXHNOISFHP-UHFFFAOYSA-N 1 2 337.468 0.138 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cc2csc(C)n2)C1 ZINC001266248408 835554444 /nfs/dbraw/zinc/55/44/44/835554444.db2.gz LLDUGEACWGUWQM-CYBMUJFWSA-N 1 2 334.445 0.324 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cc2csc(C)n2)C1 ZINC001266248408 835554451 /nfs/dbraw/zinc/55/44/51/835554451.db2.gz LLDUGEACWGUWQM-CYBMUJFWSA-N 1 2 334.445 0.324 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[NH+]1CCN([C@H](C)c2cnccn2)CC1 ZINC001266283126 835613227 /nfs/dbraw/zinc/61/32/27/835613227.db2.gz FPTYKBPYZKCPPD-CRAIPNDOSA-N 1 2 347.463 0.599 20 30 ECEDLO COCC#CCN1CC[NH+](CCNC(=O)c2c(C)ccn2C)CC1 ZINC001266283010 835613438 /nfs/dbraw/zinc/61/34/38/835613438.db2.gz AQOXFBUAADEXLB-UHFFFAOYSA-N 1 2 332.448 0.331 20 30 ECEDLO COCC#CC[NH+]1CCN(CCNC(=O)c2c(C)ccn2C)CC1 ZINC001266283010 835613440 /nfs/dbraw/zinc/61/34/40/835613440.db2.gz AQOXFBUAADEXLB-UHFFFAOYSA-N 1 2 332.448 0.331 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCN(CCNC(=O)C=C3CCC3)CC2)C1=O ZINC001266283494 835614657 /nfs/dbraw/zinc/61/46/57/835614657.db2.gz PSSISWHKKVDMMI-KRWDZBQOSA-N 1 2 346.475 0.617 20 30 ECEDLO Cc1ccc2nc(C(=O)NCC[NH+]3CCN(CC#N)CC3)cn2c1 ZINC001266287724 835628584 /nfs/dbraw/zinc/62/85/84/835628584.db2.gz CWQJAKPTEWZROU-UHFFFAOYSA-N 1 2 326.404 0.514 20 30 ECEDLO C#CCN1CC[NH+](CCNC(=O)c2coc(=O)c3ccccc23)CC1 ZINC001266290410 835634122 /nfs/dbraw/zinc/63/41/22/835634122.db2.gz ZEANDLOEMRRCBY-UHFFFAOYSA-N 1 2 339.395 0.774 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1ccn(-c2ccccc2)n1 ZINC001266293026 835637889 /nfs/dbraw/zinc/63/78/89/835637889.db2.gz FOWDGEDANHXZQC-UHFFFAOYSA-N 1 2 339.399 0.283 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccn(-c2ccccc2)n1 ZINC001266293026 835637897 /nfs/dbraw/zinc/63/78/97/835637897.db2.gz FOWDGEDANHXZQC-UHFFFAOYSA-N 1 2 339.399 0.283 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)CCNC(=O)c1cccc(=O)n1C ZINC001266324255 835700265 /nfs/dbraw/zinc/70/02/65/835700265.db2.gz ZTFMJMITOWWVGD-UHFFFAOYSA-N 1 2 348.447 0.472 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)CCNC(=O)c1cccc(=O)n1C ZINC001266324255 835700272 /nfs/dbraw/zinc/70/02/72/835700272.db2.gz ZTFMJMITOWWVGD-UHFFFAOYSA-N 1 2 348.447 0.472 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]nc2-c2ccoc2)C1 ZINC001266331405 835713013 /nfs/dbraw/zinc/71/30/13/835713013.db2.gz POZCFUREZMLREI-GFCCVEGCSA-N 1 2 342.359 0.114 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2-c2ccoc2)C1 ZINC001266331405 835713023 /nfs/dbraw/zinc/71/30/23/835713023.db2.gz POZCFUREZMLREI-GFCCVEGCSA-N 1 2 342.359 0.114 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC001266342280 835728980 /nfs/dbraw/zinc/72/89/80/835728980.db2.gz QARXUPDHSMZBNM-GUYCJALGSA-N 1 2 336.436 0.767 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC001266342280 835728985 /nfs/dbraw/zinc/72/89/85/835728985.db2.gz QARXUPDHSMZBNM-GUYCJALGSA-N 1 2 336.436 0.767 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NCC=C)C2)nn1 ZINC001266346919 835737513 /nfs/dbraw/zinc/73/75/13/835737513.db2.gz IXVZYBVROBXBMR-UONOGXRCSA-N 1 2 346.435 0.349 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(=O)NCC=C)C2)nn1 ZINC001266346919 835737525 /nfs/dbraw/zinc/73/75/25/835737525.db2.gz IXVZYBVROBXBMR-UONOGXRCSA-N 1 2 346.435 0.349 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1c(Cl)n(C)nc1CC ZINC001266348158 835741398 /nfs/dbraw/zinc/74/13/98/835741398.db2.gz XLJJCIRGACGDRX-UHFFFAOYSA-N 1 2 339.827 0.047 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1c(Cl)n(C)nc1CC ZINC001266348158 835741402 /nfs/dbraw/zinc/74/14/02/835741402.db2.gz XLJJCIRGACGDRX-UHFFFAOYSA-N 1 2 339.827 0.047 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001266360813 835770839 /nfs/dbraw/zinc/77/08/39/835770839.db2.gz CRHJUQXZNKKNEF-QGZVFWFLSA-N 1 2 339.439 0.967 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001266360813 835770849 /nfs/dbraw/zinc/77/08/49/835770849.db2.gz CRHJUQXZNKKNEF-QGZVFWFLSA-N 1 2 339.439 0.967 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CC12CC[NH+](Cc1nnnn1C)CC2 ZINC001266366474 835778250 /nfs/dbraw/zinc/77/82/50/835778250.db2.gz TUZDJQCZKRGZEL-KBPBESRZSA-N 1 2 348.451 0.662 20 30 ECEDLO C[C@H](c1nnnn1C1CC1)[N@@H+]1CC[C@@H](CNC(=O)CSCC#N)C1 ZINC001266499433 835900159 /nfs/dbraw/zinc/90/01/59/835900159.db2.gz ARAZCWYUJPSAFW-NEPJUHHUSA-N 1 2 349.464 0.764 20 30 ECEDLO C[C@H](c1nnnn1C1CC1)[N@H+]1CC[C@@H](CNC(=O)CSCC#N)C1 ZINC001266499433 835900168 /nfs/dbraw/zinc/90/01/68/835900168.db2.gz ARAZCWYUJPSAFW-NEPJUHHUSA-N 1 2 349.464 0.764 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC001266538065 835957537 /nfs/dbraw/zinc/95/75/37/835957537.db2.gz XWFRWORXSRFABC-DZGCQCFKSA-N 1 2 335.408 0.479 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001266538065 835957540 /nfs/dbraw/zinc/95/75/40/835957540.db2.gz XWFRWORXSRFABC-DZGCQCFKSA-N 1 2 335.408 0.479 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(C)[nH]1 ZINC001266648108 836082651 /nfs/dbraw/zinc/08/26/51/836082651.db2.gz MYHFSVOATNFMJO-JZIBPQBNSA-N 1 2 331.420 0.763 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(C)[nH]1 ZINC001266648108 836082661 /nfs/dbraw/zinc/08/26/61/836082661.db2.gz MYHFSVOATNFMJO-JZIBPQBNSA-N 1 2 331.420 0.763 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)n1cccc1 ZINC001266839435 836366110 /nfs/dbraw/zinc/36/61/10/836366110.db2.gz AUFNUXOOFIPDGH-CVEARBPZSA-N 1 2 330.432 0.769 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)n1cccc1 ZINC001266839435 836366120 /nfs/dbraw/zinc/36/61/20/836366120.db2.gz AUFNUXOOFIPDGH-CVEARBPZSA-N 1 2 330.432 0.769 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(OCC)n[nH]1 ZINC001266845050 836374116 /nfs/dbraw/zinc/37/41/16/836374116.db2.gz SRYIWCPXDZDBBZ-ZDUSSCGKSA-N 1 2 349.435 0.695 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(OCC)n[nH]1 ZINC001266845050 836374119 /nfs/dbraw/zinc/37/41/19/836374119.db2.gz SRYIWCPXDZDBBZ-ZDUSSCGKSA-N 1 2 349.435 0.695 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001299161495 836686290 /nfs/dbraw/zinc/68/62/90/836686290.db2.gz DMDARAGRJNIGHS-UONOGXRCSA-N 1 2 344.415 0.249 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1ccnn1CC1CCC1 ZINC001267195745 836961138 /nfs/dbraw/zinc/96/11/38/836961138.db2.gz LZUVKJVHTQTBKU-UHFFFAOYSA-N 1 2 331.420 0.094 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccnn1CC1CCC1 ZINC001267195745 836961147 /nfs/dbraw/zinc/96/11/47/836961147.db2.gz LZUVKJVHTQTBKU-UHFFFAOYSA-N 1 2 331.420 0.094 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)CCc1ncc(C(C)(C)C)o1 ZINC001267199205 836968260 /nfs/dbraw/zinc/96/82/60/836968260.db2.gz JGEJDSWXQKDIIW-UHFFFAOYSA-N 1 2 348.447 0.702 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)CCc1ncc(C(C)(C)C)o1 ZINC001267199205 836968264 /nfs/dbraw/zinc/96/82/64/836968264.db2.gz JGEJDSWXQKDIIW-UHFFFAOYSA-N 1 2 348.447 0.702 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1coc(C(F)(F)F)n1 ZINC001267205796 836986190 /nfs/dbraw/zinc/98/61/90/836986190.db2.gz ZUYXXUMKYWMJJJ-UHFFFAOYSA-N 1 2 332.282 0.104 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1coc(C(F)(F)F)n1 ZINC001267205796 836986200 /nfs/dbraw/zinc/98/62/00/836986200.db2.gz ZUYXXUMKYWMJJJ-UHFFFAOYSA-N 1 2 332.282 0.104 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C(C)(C)c1cccc(F)c1 ZINC001267216676 837005856 /nfs/dbraw/zinc/00/58/56/837005856.db2.gz XTVMUXFWRVFQEM-UHFFFAOYSA-N 1 2 333.407 0.901 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C(C)(C)c1cccc(F)c1 ZINC001267216676 837005866 /nfs/dbraw/zinc/00/58/66/837005866.db2.gz XTVMUXFWRVFQEM-UHFFFAOYSA-N 1 2 333.407 0.901 20 30 ECEDLO C[N@H+](CCNC(=O)c1cnc2ccccc2c1)CC(=O)NCC#N ZINC001267219147 837009479 /nfs/dbraw/zinc/00/94/79/837009479.db2.gz NIRLGKFJMAMIGH-UHFFFAOYSA-N 1 2 325.372 0.536 20 30 ECEDLO C[N@@H+](CCNC(=O)c1cnc2ccccc2c1)CC(=O)NCC#N ZINC001267219147 837009488 /nfs/dbraw/zinc/00/94/88/837009488.db2.gz NIRLGKFJMAMIGH-UHFFFAOYSA-N 1 2 325.372 0.536 20 30 ECEDLO C=CCNC(=O)NC(C)(C)C(=O)NCC[N@@H+](C)Cc1cncn1C ZINC001267233080 837038273 /nfs/dbraw/zinc/03/82/73/837038273.db2.gz QQICJQSQAQBQNE-UHFFFAOYSA-N 1 2 336.440 0.232 20 30 ECEDLO C=CCNC(=O)NC(C)(C)C(=O)NCC[N@H+](C)Cc1cncn1C ZINC001267233080 837038286 /nfs/dbraw/zinc/03/82/86/837038286.db2.gz QQICJQSQAQBQNE-UHFFFAOYSA-N 1 2 336.440 0.232 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCC(C)(C)C ZINC001267266762 837104153 /nfs/dbraw/zinc/10/41/53/837104153.db2.gz ILONBYFNBNLXMU-HUUCEWRRSA-N 1 2 337.464 0.768 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NCC(C)(C)C ZINC001267266762 837104157 /nfs/dbraw/zinc/10/41/57/837104157.db2.gz ILONBYFNBNLXMU-HUUCEWRRSA-N 1 2 337.464 0.768 20 30 ECEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001267273765 837115353 /nfs/dbraw/zinc/11/53/53/837115353.db2.gz HUSJASHZYKKZKP-SNVBAGLBSA-N 1 2 330.226 0.741 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001267273765 837115359 /nfs/dbraw/zinc/11/53/59/837115359.db2.gz HUSJASHZYKKZKP-SNVBAGLBSA-N 1 2 330.226 0.741 20 30 ECEDLO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001267278350 837123649 /nfs/dbraw/zinc/12/36/49/837123649.db2.gz ITACZSQGFLYJDR-LBPRGKRZSA-N 1 2 330.392 0.228 20 30 ECEDLO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001267278350 837123654 /nfs/dbraw/zinc/12/36/54/837123654.db2.gz ITACZSQGFLYJDR-LBPRGKRZSA-N 1 2 330.392 0.228 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1sccc1OC ZINC001267281649 837130277 /nfs/dbraw/zinc/13/02/77/837130277.db2.gz NZDHEZVFFMRJOD-GFCCVEGCSA-N 1 2 335.429 0.700 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1sccc1OC ZINC001267281649 837130284 /nfs/dbraw/zinc/13/02/84/837130284.db2.gz NZDHEZVFFMRJOD-GFCCVEGCSA-N 1 2 335.429 0.700 20 30 ECEDLO COCC#CC[N@@H+]1CC[C@H](CNC(=O)CS(=O)(=O)CC(C)C)C1 ZINC001267296687 837152098 /nfs/dbraw/zinc/15/20/98/837152098.db2.gz SDPASTUDMDJLKT-OAHLLOKOSA-N 1 2 344.477 0.145 20 30 ECEDLO COCC#CC[N@H+]1CC[C@H](CNC(=O)CS(=O)(=O)CC(C)C)C1 ZINC001267296687 837152103 /nfs/dbraw/zinc/15/21/03/837152103.db2.gz SDPASTUDMDJLKT-OAHLLOKOSA-N 1 2 344.477 0.145 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(OC)cc2)C1 ZINC001267619740 838057647 /nfs/dbraw/zinc/05/76/47/838057647.db2.gz AQWVPOJMAWZWOL-OAHLLOKOSA-N 1 2 329.400 0.639 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(OC)cc2)C1 ZINC001267619740 838057657 /nfs/dbraw/zinc/05/76/57/838057657.db2.gz AQWVPOJMAWZWOL-OAHLLOKOSA-N 1 2 329.400 0.639 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3nn[nH]c32)C1 ZINC001267629977 838088350 /nfs/dbraw/zinc/08/83/50/838088350.db2.gz SYURWMZYCLCIBO-QWHCGFSZSA-N 1 2 346.435 0.107 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3nn[nH]c32)C1 ZINC001267629977 838088360 /nfs/dbraw/zinc/08/83/60/838088360.db2.gz SYURWMZYCLCIBO-QWHCGFSZSA-N 1 2 346.435 0.107 20 30 ECEDLO O=C(C#CC1CC1)NC1C[NH+](C[C@H](O)COCc2cccs2)C1 ZINC001267644555 838128517 /nfs/dbraw/zinc/12/85/17/838128517.db2.gz AIQRVQPJYVSYLD-HNNXBMFYSA-N 1 2 334.441 0.839 20 30 ECEDLO CCOCC(=O)NCC1C[NH+](CC(=O)NCC#Cc2ccccc2)C1 ZINC001267674338 838219808 /nfs/dbraw/zinc/21/98/08/838219808.db2.gz CEZQSAHRLZNBGD-UHFFFAOYSA-N 1 2 343.427 0.239 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001267693978 838276039 /nfs/dbraw/zinc/27/60/39/838276039.db2.gz XEZJYIQQNWHVKO-HNNXBMFYSA-N 1 2 327.428 0.896 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCC1C[NH+](Cc2cnc(C)nc2)C1 ZINC001267694388 838280023 /nfs/dbraw/zinc/28/00/23/838280023.db2.gz JORJKPPGFKZMMA-KRWDZBQOSA-N 1 2 345.447 0.804 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1C[NH+](Cc2cnnn2CC)C1 ZINC001267694680 838281258 /nfs/dbraw/zinc/28/12/58/838281258.db2.gz PKWGPQVIYPMEMS-MRXNPFEDSA-N 1 2 348.451 0.317 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2c(OC)cccc2OC)C1 ZINC001267697439 838291201 /nfs/dbraw/zinc/29/12/01/838291201.db2.gz LHKOOUGSLIGVMV-UHFFFAOYSA-N 1 2 347.415 0.668 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2COc3ccccc3O2)C1 ZINC001267699142 838293809 /nfs/dbraw/zinc/29/38/09/838293809.db2.gz VGYQRFUJBHIOGK-MRXNPFEDSA-N 1 2 345.399 0.177 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCn1cccn1 ZINC001267717433 838364573 /nfs/dbraw/zinc/36/45/73/838364573.db2.gz VQIRFOISVHOUBU-JYJNAYRXSA-N 1 2 345.447 0.639 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCn1cccn1 ZINC001267717433 838364581 /nfs/dbraw/zinc/36/45/81/838364581.db2.gz VQIRFOISVHOUBU-JYJNAYRXSA-N 1 2 345.447 0.639 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC001267723450 838380738 /nfs/dbraw/zinc/38/07/38/838380738.db2.gz CWEBXQCZEVGSJT-OLZOCXBDSA-N 1 2 345.447 0.649 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC001267723450 838380745 /nfs/dbraw/zinc/38/07/45/838380745.db2.gz CWEBXQCZEVGSJT-OLZOCXBDSA-N 1 2 345.447 0.649 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](CC(=O)NCCC(C)(C)C)C1 ZINC001267724644 838388284 /nfs/dbraw/zinc/38/82/84/838388284.db2.gz YZLFNNAEDAUHEM-GJZGRUSLSA-N 1 2 337.464 0.768 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCCC(C)(C)C)C1 ZINC001267724644 838388289 /nfs/dbraw/zinc/38/82/89/838388289.db2.gz YZLFNNAEDAUHEM-GJZGRUSLSA-N 1 2 337.464 0.768 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C1 ZINC001267749687 838467319 /nfs/dbraw/zinc/46/73/19/838467319.db2.gz MRCBOYGLZWUJSX-SKWUIDRYSA-N 1 2 337.423 0.512 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C1 ZINC001267749687 838467321 /nfs/dbraw/zinc/46/73/21/838467321.db2.gz MRCBOYGLZWUJSX-SKWUIDRYSA-N 1 2 337.423 0.512 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cnon2)C1 ZINC001267750952 838473278 /nfs/dbraw/zinc/47/32/78/838473278.db2.gz KRZOORSQTOOKQY-QWHCGFSZSA-N 1 2 335.408 0.687 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cnon2)C1 ZINC001267750952 838473280 /nfs/dbraw/zinc/47/32/80/838473280.db2.gz KRZOORSQTOOKQY-QWHCGFSZSA-N 1 2 335.408 0.687 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2sc(C)cc2C)C1 ZINC001267752394 838474720 /nfs/dbraw/zinc/47/47/20/838474720.db2.gz YMLIGHXCQLOIMD-CQSZACIVSA-N 1 2 333.457 0.847 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2sc(C)cc2C)C1 ZINC001267752394 838474722 /nfs/dbraw/zinc/47/47/22/838474722.db2.gz YMLIGHXCQLOIMD-CQSZACIVSA-N 1 2 333.457 0.847 20 30 ECEDLO CN(C(=O)c1n[nH]c2c1CCCC2)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267768845 838509707 /nfs/dbraw/zinc/50/97/07/838509707.db2.gz QWQMLSUDHGARNZ-GFCCVEGCSA-N 1 2 344.419 0.075 20 30 ECEDLO CN(C(=O)c1n[nH]c2c1CCCC2)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267768845 838509710 /nfs/dbraw/zinc/50/97/10/838509710.db2.gz QWQMLSUDHGARNZ-GFCCVEGCSA-N 1 2 344.419 0.075 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cnc3[nH]cnc3c2)C1 ZINC001267936808 838822823 /nfs/dbraw/zinc/82/28/23/838822823.db2.gz BCFHYUIJGMDSCR-CYBMUJFWSA-N 1 2 342.403 0.454 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cnc3[nH]cnc3c2)C1 ZINC001267936808 838822839 /nfs/dbraw/zinc/82/28/39/838822839.db2.gz BCFHYUIJGMDSCR-CYBMUJFWSA-N 1 2 342.403 0.454 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2c(C)cc(=O)oc2C)C1 ZINC001267949244 838842249 /nfs/dbraw/zinc/84/22/49/838842249.db2.gz GRCVVHRDBRHWHN-CQSZACIVSA-N 1 2 347.415 0.753 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2c(C)cc(=O)oc2C)C1 ZINC001267949244 838842256 /nfs/dbraw/zinc/84/22/56/838842256.db2.gz GRCVVHRDBRHWHN-CQSZACIVSA-N 1 2 347.415 0.753 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cc(C3CC3)no2)C1 ZINC001267968877 838888354 /nfs/dbraw/zinc/88/83/54/838888354.db2.gz DOQQISPAVORGHG-GXTWGEPZSA-N 1 2 344.415 0.884 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cc(C3CC3)no2)C1 ZINC001267968877 838888369 /nfs/dbraw/zinc/88/83/69/838888369.db2.gz DOQQISPAVORGHG-GXTWGEPZSA-N 1 2 344.415 0.884 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H]1CN(Cc2c[nH+]cn2C)CCO1 ZINC001268017441 838982692 /nfs/dbraw/zinc/98/26/92/838982692.db2.gz DDWBAPBQTBHUIY-GOEBONIOSA-N 1 2 336.436 0.718 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1C[N@H+](CCc2cnn(CC)c2)CCO1 ZINC001268022550 839001079 /nfs/dbraw/zinc/00/10/79/839001079.db2.gz UNDHBQIZGHJAMU-DOTOQJQBSA-N 1 2 348.447 0.301 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](CCc2cnn(CC)c2)CCO1 ZINC001268022550 839001087 /nfs/dbraw/zinc/00/10/87/839001087.db2.gz UNDHBQIZGHJAMU-DOTOQJQBSA-N 1 2 348.447 0.301 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)Cc2nnn(C(C)(C)C)n2)C1 ZINC001268022580 839001402 /nfs/dbraw/zinc/00/14/02/839001402.db2.gz VAXLAILRBCANOC-CYBMUJFWSA-N 1 2 336.440 0.364 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)Cc2nnn(C(C)(C)C)n2)C1 ZINC001268022580 839001415 /nfs/dbraw/zinc/00/14/15/839001415.db2.gz VAXLAILRBCANOC-CYBMUJFWSA-N 1 2 336.440 0.364 20 30 ECEDLO C=CCOCC[N@@H+]1CCO[C@H](CNC(=O)c2cncnc2CC)C1 ZINC001268028684 839043456 /nfs/dbraw/zinc/04/34/56/839043456.db2.gz LMFGUCULNBRPBZ-CQSZACIVSA-N 1 2 334.420 0.672 20 30 ECEDLO C=CCOCC[N@H+]1CCO[C@H](CNC(=O)c2cncnc2CC)C1 ZINC001268028684 839043465 /nfs/dbraw/zinc/04/34/65/839043465.db2.gz LMFGUCULNBRPBZ-CQSZACIVSA-N 1 2 334.420 0.672 20 30 ECEDLO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(C#N)ccc2C)CC1 ZINC000182403878 529701467 /nfs/dbraw/zinc/70/14/67/529701467.db2.gz ZGSWPECHKIPQPT-HNNXBMFYSA-N 1 2 337.445 0.944 20 30 ECEDLO N#Cc1cc(F)c(C(=O)N2CC[NH+](CCn3cncn3)CC2)c(F)c1 ZINC000446313205 211139060 /nfs/dbraw/zinc/13/90/60/211139060.db2.gz YQZNTUKDXGPQTL-UHFFFAOYSA-N 1 2 346.341 0.886 20 30 ECEDLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(c2ncc(C#N)cc2F)CC1 ZINC000413207920 208295409 /nfs/dbraw/zinc/29/54/09/208295409.db2.gz RMDCGWPOBDKFGD-ZDUSSCGKSA-N 1 2 347.394 0.462 20 30 ECEDLO CO[C@@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1cnn(C)c1 ZINC000281502447 254551175 /nfs/dbraw/zinc/55/11/75/254551175.db2.gz GVUKBPGXRRSNEK-OAHLLOKOSA-N 1 2 335.408 0.182 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000282960619 254555659 /nfs/dbraw/zinc/55/56/59/254555659.db2.gz KITFHVBRFZWPAW-GFCCVEGCSA-N 1 2 334.405 0.836 20 30 ECEDLO C=CCCCNC(=O)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000343161828 254686100 /nfs/dbraw/zinc/68/61/00/254686100.db2.gz KSQNDCPILCCFIB-INIZCTEOSA-N 1 2 341.477 0.393 20 30 ECEDLO N#CCNC(=O)CNC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000376286317 254754741 /nfs/dbraw/zinc/75/47/41/254754741.db2.gz CHLITFKVWZNOSL-UHFFFAOYSA-N 1 2 344.419 0.901 20 30 ECEDLO CCOC(=O)[C@H]([NH2+]CCC(=O)N(C)CCC#N)[C@@H]1CCCOC1 ZINC000347621057 285928428 /nfs/dbraw/zinc/92/84/28/285928428.db2.gz ZCYNOACBPNNDLM-UKRRQHHQSA-N 1 2 325.409 0.696 20 30 ECEDLO CC(C)NC(=O)C[NH+]1CCN(CC(=O)Nc2sccc2C#N)CC1 ZINC000078334254 296622447 /nfs/dbraw/zinc/62/24/47/296622447.db2.gz ZXFOVENHUKHYFA-UHFFFAOYSA-N 1 2 349.460 0.700 20 30 ECEDLO COCC1(C#N)CC[NH+](CC(=O)N[C@@H](C(=O)OC)C(C)C)CC1 ZINC000352093121 292207763 /nfs/dbraw/zinc/20/77/63/292207763.db2.gz MRRWNKYDLNYYPY-CQSZACIVSA-N 1 2 325.409 0.552 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)C[C@@H]1C ZINC000122419996 222083593 /nfs/dbraw/zinc/08/35/93/222083593.db2.gz JHAQPCLRHSYOCQ-UONOGXRCSA-N 1 2 337.445 0.775 20 30 ECEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)C[C@@H]1C ZINC000122419996 222083598 /nfs/dbraw/zinc/08/35/98/222083598.db2.gz JHAQPCLRHSYOCQ-UONOGXRCSA-N 1 2 337.445 0.775 20 30 ECEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)COc1ccc(C#N)cc1 ZINC000271123393 263300882 /nfs/dbraw/zinc/30/08/82/263300882.db2.gz LDQDRKOVBQHVAZ-AWEZNQCLSA-N 1 2 328.328 0.561 20 30 ECEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)COc1ccc(C#N)cc1 ZINC000271123393 263300884 /nfs/dbraw/zinc/30/08/84/263300884.db2.gz LDQDRKOVBQHVAZ-AWEZNQCLSA-N 1 2 328.328 0.561 20 30 ECEDLO N#Cc1ccccc1OCC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000353487206 270006814 /nfs/dbraw/zinc/00/68/14/270006814.db2.gz DBXMUJBFUNEDOQ-UHFFFAOYSA-N 1 2 340.387 0.373 20 30 ECEDLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC1 ZINC000331163902 266399812 /nfs/dbraw/zinc/39/98/12/266399812.db2.gz RYAYTDUCTSZPKJ-CQSZACIVSA-N 1 2 338.433 0.339 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000290187265 266926514 /nfs/dbraw/zinc/92/65/14/266926514.db2.gz GQBNUARQPBXKNW-NSHDSACASA-N 1 2 334.351 0.473 20 30 ECEDLO C[C@@H]1CCN(C(=O)NCCn2cnc(C#N)n2)C[C@@H]1n1cc[nH+]c1 ZINC000287970716 267020867 /nfs/dbraw/zinc/02/08/67/267020867.db2.gz VQXLWESQTAZHLR-OLZOCXBDSA-N 1 2 328.380 0.639 20 30 ECEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000287746650 267078822 /nfs/dbraw/zinc/07/88/22/267078822.db2.gz AOMZIBFRTAJPSA-CZUORRHYSA-N 1 2 342.399 0.818 20 30 ECEDLO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000521253662 267365463 /nfs/dbraw/zinc/36/54/63/267365463.db2.gz CRZOWFYKUARAQN-ZDUSSCGKSA-N 1 2 346.343 0.720 20 30 ECEDLO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000521253662 267365467 /nfs/dbraw/zinc/36/54/67/267365467.db2.gz CRZOWFYKUARAQN-ZDUSSCGKSA-N 1 2 346.343 0.720 20 30 ECEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000285133681 267379824 /nfs/dbraw/zinc/37/98/24/267379824.db2.gz IRZPANPQFAFUBT-HZPDHXFCSA-N 1 2 342.399 0.737 20 30 ECEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000285133681 267379829 /nfs/dbraw/zinc/37/98/29/267379829.db2.gz IRZPANPQFAFUBT-HZPDHXFCSA-N 1 2 342.399 0.737 20 30 ECEDLO Cn1[nH]c([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccccc2C#N)nc1=N ZINC000528485381 268108903 /nfs/dbraw/zinc/10/89/03/268108903.db2.gz BIMBZLCJBTXWDJ-UONOGXRCSA-N 1 2 342.403 0.676 20 30 ECEDLO Cn1[nH]c([C@H]2CCC[N@H+]2C[C@H](O)COc2ccccc2C#N)nc1=N ZINC000528485381 268108906 /nfs/dbraw/zinc/10/89/06/268108906.db2.gz BIMBZLCJBTXWDJ-UONOGXRCSA-N 1 2 342.403 0.676 20 30 ECEDLO Cn1c(C#N)ccc1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000529753704 268112634 /nfs/dbraw/zinc/11/26/34/268112634.db2.gz RYBUVFLQPUENCT-QGZVFWFLSA-N 1 2 332.404 0.242 20 30 ECEDLO Cn1c(C#N)ccc1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000529753704 268112636 /nfs/dbraw/zinc/11/26/36/268112636.db2.gz RYBUVFLQPUENCT-QGZVFWFLSA-N 1 2 332.404 0.242 20 30 ECEDLO N#Cc1ccc(N2CCN(C[C@H](O)C[NH+]3CCOCC3)CC2)c(F)c1 ZINC000303262746 268116948 /nfs/dbraw/zinc/11/69/48/268116948.db2.gz QFRASRHJVOHOPS-INIZCTEOSA-N 1 2 348.422 0.512 20 30 ECEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]3OCC(=O)N[C@H]3C2)cc1Cl ZINC000370709131 268141282 /nfs/dbraw/zinc/14/12/82/268141282.db2.gz QYVDIKCCOQTQJE-UONOGXRCSA-N 1 2 348.790 0.739 20 30 ECEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H]3OCC(=O)N[C@H]3C2)cc1Cl ZINC000370709131 268141285 /nfs/dbraw/zinc/14/12/85/268141285.db2.gz QYVDIKCCOQTQJE-UONOGXRCSA-N 1 2 348.790 0.739 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)s1 ZINC000377063485 268195130 /nfs/dbraw/zinc/19/51/30/268195130.db2.gz XBBZCDOMFAHXRD-LBPRGKRZSA-N 1 2 341.458 0.963 20 30 ECEDLO N#Cc1cccc(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000340147923 268249160 /nfs/dbraw/zinc/24/91/60/268249160.db2.gz MDBZZROIBBWFRX-MRXNPFEDSA-N 1 2 342.399 0.108 20 30 ECEDLO CCOCCN1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528371245 269670484 /nfs/dbraw/zinc/67/04/84/269670484.db2.gz GKYHIWXNJCOXDA-QGZVFWFLSA-N 1 2 333.432 0.952 20 30 ECEDLO CN1CC[N@H+](C)[C@H](CNC(=O)/C=C\c2ccc(OCC#N)cc2)C1 ZINC000491799576 277102270 /nfs/dbraw/zinc/10/22/70/277102270.db2.gz UZRPITKZPDVRJL-KQQSKNTNSA-N 1 2 328.416 0.964 20 30 ECEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)/C=C\c2ccc(OCC#N)cc2)C1 ZINC000491799576 277102271 /nfs/dbraw/zinc/10/22/71/277102271.db2.gz UZRPITKZPDVRJL-KQQSKNTNSA-N 1 2 328.416 0.964 20 30 ECEDLO CC(C)[C@@H](CNS(=O)(=O)CC1(C#N)CCC1)[NH+]1CCOCC1 ZINC000354090689 279852102 /nfs/dbraw/zinc/85/21/02/279852102.db2.gz DTAJATNOWFPELL-CQSZACIVSA-N 1 2 329.466 0.956 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000343560737 437605286 /nfs/dbraw/zinc/60/52/86/437605286.db2.gz WHIANNNJKHWNNV-UHFFFAOYSA-N 1 2 328.416 0.899 20 30 ECEDLO CCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000330746012 437605438 /nfs/dbraw/zinc/60/54/38/437605438.db2.gz FLLDQXOGOZPBBA-SECBINFHSA-N 1 2 338.330 0.570 20 30 ECEDLO CCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000330746012 437605442 /nfs/dbraw/zinc/60/54/42/437605442.db2.gz FLLDQXOGOZPBBA-SECBINFHSA-N 1 2 338.330 0.570 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189733160 437608591 /nfs/dbraw/zinc/60/85/91/437608591.db2.gz VIUPIEWRQSWJGE-LBPRGKRZSA-N 1 2 346.435 0.809 20 30 ECEDLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000262059235 294422967 /nfs/dbraw/zinc/42/29/67/294422967.db2.gz QZQVZQLVTGBWCF-AWEZNQCLSA-N 1 2 331.401 0.627 20 30 ECEDLO C[C@H](CNC(=O)N1C[C@H](C)S(=O)(=O)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000329613490 298244830 /nfs/dbraw/zinc/24/48/30/298244830.db2.gz OWBHDARCBNHOGE-RDBSUJKOSA-N 1 2 347.481 0.376 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000374579038 298278981 /nfs/dbraw/zinc/27/89/81/298278981.db2.gz KRVLFNVHSKTFPR-ILXRZTDVSA-N 1 2 344.481 0.698 20 30 ECEDLO CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000071014095 435997608 /nfs/dbraw/zinc/99/76/08/435997608.db2.gz RCFZJQLYMXKDLZ-HIFRSBDPSA-N 1 2 329.466 0.940 20 30 ECEDLO CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000071014095 435997613 /nfs/dbraw/zinc/99/76/13/435997613.db2.gz RCFZJQLYMXKDLZ-HIFRSBDPSA-N 1 2 329.466 0.940 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(=O)n3ccccc3n2)CC1 ZINC000010998659 436043138 /nfs/dbraw/zinc/04/31/38/436043138.db2.gz GYOAGVWFWNBDMD-UHFFFAOYSA-N 1 2 327.388 0.119 20 30 ECEDLO C[N@H+](CC(=O)N1CCOCC1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000073868413 436097763 /nfs/dbraw/zinc/09/77/63/436097763.db2.gz NPHQLCQBRPHGKB-INIZCTEOSA-N 1 2 342.399 0.454 20 30 ECEDLO C[N@@H+](CC(=O)N1CCOCC1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000073868413 436097771 /nfs/dbraw/zinc/09/77/71/436097771.db2.gz NPHQLCQBRPHGKB-INIZCTEOSA-N 1 2 342.399 0.454 20 30 ECEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000249066723 301075612 /nfs/dbraw/zinc/07/56/12/301075612.db2.gz QKBALXMULPBWNB-KGLIPLIRSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000249066723 301075614 /nfs/dbraw/zinc/07/56/14/301075614.db2.gz QKBALXMULPBWNB-KGLIPLIRSA-N 1 2 337.445 0.942 20 30 ECEDLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccccc2C#N)CC1 ZINC000026976314 436171498 /nfs/dbraw/zinc/17/14/98/436171498.db2.gz WWOYMEIXLBHEEC-UHFFFAOYSA-N 1 2 336.417 0.047 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)CN1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000028751121 436190427 /nfs/dbraw/zinc/19/04/27/436190427.db2.gz RZZOSRGHXBUBHI-RDTXWAMCSA-N 1 2 349.479 0.326 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)NC3CCOCC3)CC2)cc1 ZINC000076292073 436200067 /nfs/dbraw/zinc/20/00/67/436200067.db2.gz IRPLLXWPKLEBOI-UHFFFAOYSA-N 1 2 342.443 0.971 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000076384619 436201930 /nfs/dbraw/zinc/20/19/30/436201930.db2.gz PWJHZGVIXODLPU-CABCVRRESA-N 1 2 326.462 0.804 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1c(C#N)nnc2ccccc21 ZINC000081015608 436333490 /nfs/dbraw/zinc/33/34/90/436333490.db2.gz UPJBEMQWDJXOKW-CYBMUJFWSA-N 1 2 327.388 0.631 20 30 ECEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(NC(N)=O)CC2)C1=O ZINC000083214261 436368068 /nfs/dbraw/zinc/36/80/68/436368068.db2.gz USUVUNWFLDWHKK-GFCCVEGCSA-N 1 2 333.417 0.858 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000105797337 436578463 /nfs/dbraw/zinc/57/84/63/436578463.db2.gz AXTNPFIYFFYKRS-CYBMUJFWSA-N 1 2 349.435 0.809 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000105930743 436588651 /nfs/dbraw/zinc/58/86/51/436588651.db2.gz CCKCQQVIWVMQRS-MAUKXSAKSA-N 1 2 346.479 0.981 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2cnc(C)s2)CC1 ZINC000112904489 436634829 /nfs/dbraw/zinc/63/48/29/436634829.db2.gz ILBJIUCIEIJZAY-AATRIKPKSA-N 1 2 346.456 0.748 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2cnc(C)s2)CC1 ZINC000112904489 436634831 /nfs/dbraw/zinc/63/48/31/436634831.db2.gz ILBJIUCIEIJZAY-AATRIKPKSA-N 1 2 346.456 0.748 20 30 ECEDLO CN(CC(=O)NCc1[nH]cc[nH+]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000114338221 436640722 /nfs/dbraw/zinc/64/07/22/436640722.db2.gz GGWUPPWWSZWYKM-UHFFFAOYSA-N 1 2 333.373 0.218 20 30 ECEDLO Cc1ccccc1[C@@]1(C)NC(=O)N(C[C@H](O)C[N@H+](C)CCC#N)C1=O ZINC000414156372 302169797 /nfs/dbraw/zinc/16/97/97/302169797.db2.gz UUSQBGXHDZZVRY-RDTXWAMCSA-N 1 2 344.415 0.968 20 30 ECEDLO Cc1ccccc1[C@@]1(C)NC(=O)N(C[C@H](O)C[N@@H+](C)CCC#N)C1=O ZINC000414156372 302169801 /nfs/dbraw/zinc/16/98/01/302169801.db2.gz UUSQBGXHDZZVRY-RDTXWAMCSA-N 1 2 344.415 0.968 20 30 ECEDLO COC[C@H](O)CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000117992508 436659288 /nfs/dbraw/zinc/65/92/88/436659288.db2.gz LHMWVODJYSDQHT-LLVKDONJSA-N 1 2 330.388 0.653 20 30 ECEDLO C#CC[N@@H+](C[C@H](O)COc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000120459594 436687212 /nfs/dbraw/zinc/68/72/12/436687212.db2.gz CCQCREALVDGCNQ-CVEARBPZSA-N 1 2 337.441 0.857 20 30 ECEDLO C#CC[N@H+](C[C@H](O)COc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000120459594 436687216 /nfs/dbraw/zinc/68/72/16/436687216.db2.gz CCQCREALVDGCNQ-CVEARBPZSA-N 1 2 337.441 0.857 20 30 ECEDLO CN(C(=O)C[NH+]1CCN(CC(=O)NCC#N)CC1)C1CCCCC1 ZINC000066530245 436687940 /nfs/dbraw/zinc/68/79/40/436687940.db2.gz QDNBFSLDIQHGEV-UHFFFAOYSA-N 1 2 335.452 0.035 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCC(n2[nH]cc(C(=O)OCC)c2=N)CC1 ZINC000118838768 436662906 /nfs/dbraw/zinc/66/29/06/436662906.db2.gz BHRCYYRHRBPGKY-GFCCVEGCSA-N 1 2 349.435 0.800 20 30 ECEDLO C=CCNC(=O)NC(=O)CN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000118837162 436664380 /nfs/dbraw/zinc/66/43/80/436664380.db2.gz YAGAPFNJFJIOQR-CQSZACIVSA-N 1 2 331.420 0.772 20 30 ECEDLO CC(=O)NCCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000119250248 436665791 /nfs/dbraw/zinc/66/57/91/436665791.db2.gz BOURIYBCQMUNKY-UHFFFAOYSA-N 1 2 327.388 0.782 20 30 ECEDLO C#CCCN1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000270528824 436674576 /nfs/dbraw/zinc/67/45/76/436674576.db2.gz CYMONXLBIPGNIC-INIZCTEOSA-N 1 2 333.388 0.975 20 30 ECEDLO C=CCCOCCNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000124881532 436758548 /nfs/dbraw/zinc/75/85/48/436758548.db2.gz CRYYGEWLIHEQQM-UHFFFAOYSA-N 1 2 337.424 0.930 20 30 ECEDLO COC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000245556151 436764397 /nfs/dbraw/zinc/76/43/97/436764397.db2.gz IRWHKCWQWZDMSL-GJZGRUSLSA-N 1 2 336.436 0.316 20 30 ECEDLO COC(=O)[C@@H]1CCC[N@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000245556151 436764401 /nfs/dbraw/zinc/76/44/01/436764401.db2.gz IRWHKCWQWZDMSL-GJZGRUSLSA-N 1 2 336.436 0.316 20 30 ECEDLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000156176157 436811561 /nfs/dbraw/zinc/81/15/61/436811561.db2.gz DEJDEMIETZCXQN-YPMHNXCESA-N 1 2 336.417 0.509 20 30 ECEDLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000156176157 436811562 /nfs/dbraw/zinc/81/15/62/436811562.db2.gz DEJDEMIETZCXQN-YPMHNXCESA-N 1 2 336.417 0.509 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000128206539 436812169 /nfs/dbraw/zinc/81/21/69/436812169.db2.gz GRDRXQMWTRURDH-UHFFFAOYSA-N 1 2 338.205 0.388 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(F)cc1C#N)[C@@H]1C[N@H+](C)CCO1 ZINC000128241502 436813899 /nfs/dbraw/zinc/81/38/99/436813899.db2.gz BTJSYPHKVCBYKP-MFKMUULPSA-N 1 2 327.381 0.695 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(F)cc1C#N)[C@@H]1C[N@@H+](C)CCO1 ZINC000128241502 436813900 /nfs/dbraw/zinc/81/39/00/436813900.db2.gz BTJSYPHKVCBYKP-MFKMUULPSA-N 1 2 327.381 0.695 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2nnnc2/C=C/c2ccccc2)CC1 ZINC000155173661 436791781 /nfs/dbraw/zinc/79/17/81/436791781.db2.gz LMZALTHVCQXVQV-CMDGGOBGSA-N 1 2 336.399 0.621 20 30 ECEDLO C=CCCOCCNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000127403915 436802145 /nfs/dbraw/zinc/80/21/45/436802145.db2.gz CMOKJCKKNIETCP-CQSZACIVSA-N 1 2 338.452 0.573 20 30 ECEDLO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000155788076 436804034 /nfs/dbraw/zinc/80/40/34/436804034.db2.gz YYPQMFFOILRMAN-INIZCTEOSA-N 1 2 342.399 0.820 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279744392 436837625 /nfs/dbraw/zinc/83/76/25/436837625.db2.gz KUNDXEPOGCWGMM-STQMWFEESA-N 1 2 325.409 0.657 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279744392 436837626 /nfs/dbraw/zinc/83/76/26/436837626.db2.gz KUNDXEPOGCWGMM-STQMWFEESA-N 1 2 325.409 0.657 20 30 ECEDLO C[C@@H](CNS(=O)(=O)Cc1cccc(C#N)c1)C[NH+]1CCOCC1 ZINC000160393163 436870380 /nfs/dbraw/zinc/87/03/80/436870380.db2.gz VBCLSDTYBMHQHR-AWEZNQCLSA-N 1 2 337.445 0.946 20 30 ECEDLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+]1CCC(C#N)CC1 ZINC000161988133 436901550 /nfs/dbraw/zinc/90/15/50/436901550.db2.gz YZQYJCHNROXMJO-UHFFFAOYSA-N 1 2 336.417 0.817 20 30 ECEDLO Cc1ccc(C#N)c(N2CC[NH+]([C@@H](C)C(=O)N3CCOCC3)CC2)n1 ZINC000162038244 436901672 /nfs/dbraw/zinc/90/16/72/436901672.db2.gz GNCKVWVVKCDUMX-HNNXBMFYSA-N 1 2 343.431 0.631 20 30 ECEDLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC1 ZINC000295174652 436963304 /nfs/dbraw/zinc/96/33/04/436963304.db2.gz QNFXCWSRUATYIE-GFCCVEGCSA-N 1 2 341.408 0.526 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000263670247 436975959 /nfs/dbraw/zinc/97/59/59/436975959.db2.gz CJLREGICDDYDFV-CYBMUJFWSA-N 1 2 325.409 0.022 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000263670247 436975963 /nfs/dbraw/zinc/97/59/63/436975963.db2.gz CJLREGICDDYDFV-CYBMUJFWSA-N 1 2 325.409 0.022 20 30 ECEDLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CCOc1ccc(C#N)cc1OC ZINC000275527615 436979379 /nfs/dbraw/zinc/97/93/79/436979379.db2.gz JYEZMFIZEHVIGB-CZUORRHYSA-N 1 2 334.372 0.944 20 30 ECEDLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000275527615 436979382 /nfs/dbraw/zinc/97/93/82/436979382.db2.gz JYEZMFIZEHVIGB-CZUORRHYSA-N 1 2 334.372 0.944 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)c2nncn2C)CC1 ZINC000275165571 436933720 /nfs/dbraw/zinc/93/37/20/436933720.db2.gz JYIVVHBQTNBBLU-KGLIPLIRSA-N 1 2 333.440 0.158 20 30 ECEDLO Cc1cc(C#N)nc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1 ZINC000280931546 436934202 /nfs/dbraw/zinc/93/42/02/436934202.db2.gz HHYAVJHFLWNPAP-UHFFFAOYSA-N 1 2 335.375 0.660 20 30 ECEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000294120399 436934822 /nfs/dbraw/zinc/93/48/22/436934822.db2.gz KRHJGTGBJSGDHC-UHFFFAOYSA-N 1 2 345.403 0.461 20 30 ECEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000294120399 436934824 /nfs/dbraw/zinc/93/48/24/436934824.db2.gz KRHJGTGBJSGDHC-UHFFFAOYSA-N 1 2 345.403 0.461 20 30 ECEDLO CNS(=O)(=O)NC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000280978639 436937920 /nfs/dbraw/zinc/93/79/20/436937920.db2.gz LCKROVRQEBDFIH-UHFFFAOYSA-N 1 2 326.397 0.716 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000294477017 436958880 /nfs/dbraw/zinc/95/88/80/436958880.db2.gz FQPJNIXLDGGVSD-LJQANCHMSA-N 1 2 342.443 0.744 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000294477017 436958884 /nfs/dbraw/zinc/95/88/84/436958884.db2.gz FQPJNIXLDGGVSD-LJQANCHMSA-N 1 2 342.443 0.744 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCc2nccs2)CC1 ZINC000282960557 437021945 /nfs/dbraw/zinc/02/19/45/437021945.db2.gz FQBCZBZVUNZQAI-UHFFFAOYSA-N 1 2 348.472 0.750 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCCc2nccs2)CC1 ZINC000282960557 437021951 /nfs/dbraw/zinc/02/19/51/437021951.db2.gz FQBCZBZVUNZQAI-UHFFFAOYSA-N 1 2 348.472 0.750 20 30 ECEDLO NC(=[NH+]OCC(=O)Nc1cccc(C(=O)NC2CC2)c1)[C@H]1CCCO1 ZINC000284078122 437035392 /nfs/dbraw/zinc/03/53/92/437035392.db2.gz KITREFQSBICUIJ-CQSZACIVSA-N 1 2 346.387 0.985 20 30 ECEDLO C=CCCN(C)C(=O)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000284298054 437053087 /nfs/dbraw/zinc/05/30/87/437053087.db2.gz TZXYRLZRYUBTBM-UHFFFAOYSA-N 1 2 332.404 0.569 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(C(=O)OC)o2)CC1 ZINC000264658235 437060964 /nfs/dbraw/zinc/06/09/64/437060964.db2.gz YHCAXRJQNZITLU-UHFFFAOYSA-N 1 2 326.374 0.396 20 30 ECEDLO CC(=O)c1ccc(NC(=O)CO[NH+]=C(N)CN2CCOCC2)cc1 ZINC000264698485 437067116 /nfs/dbraw/zinc/06/71/16/437067116.db2.gz JDQZXJVKMHDPNH-UHFFFAOYSA-N 1 2 334.376 0.449 20 30 ECEDLO COC(=O)CCc1nc(CO[NH+]=C(N)Cc2csc(C)n2)no1 ZINC000264726724 437073563 /nfs/dbraw/zinc/07/35/63/437073563.db2.gz QGHROYLYRNQAFX-UHFFFAOYSA-N 1 2 339.377 0.972 20 30 ECEDLO N#C[C@@H]1C[N@@H+](CCCS(N)(=O)=O)C[C@]12c1ccccc1NC2=O ZINC000338248105 303162105 /nfs/dbraw/zinc/16/21/05/303162105.db2.gz CJYXYIDXXHHKOI-IAQYHMDHSA-N 1 2 334.401 0.010 20 30 ECEDLO N#C[C@@H]1C[N@H+](CCCS(N)(=O)=O)C[C@]12c1ccccc1NC2=O ZINC000338248105 303162107 /nfs/dbraw/zinc/16/21/07/303162107.db2.gz CJYXYIDXXHHKOI-IAQYHMDHSA-N 1 2 334.401 0.010 20 30 ECEDLO NC(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)O1 ZINC000329633908 303226601 /nfs/dbraw/zinc/22/66/01/303226601.db2.gz WWRMSDUCHLZJLR-IHRRRGAJSA-N 1 2 340.424 0.780 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnn(C)c2C2CC2)CC1 ZINC000264863843 437096827 /nfs/dbraw/zinc/09/68/27/437096827.db2.gz FMKWVARCKSAJDC-UHFFFAOYSA-N 1 2 343.431 0.195 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnn(C)c2C2CC2)CC1 ZINC000264863843 437096832 /nfs/dbraw/zinc/09/68/32/437096832.db2.gz FMKWVARCKSAJDC-UHFFFAOYSA-N 1 2 343.431 0.195 20 30 ECEDLO C[C@H](Oc1cccnc1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000265533278 437147431 /nfs/dbraw/zinc/14/74/31/437147431.db2.gz FXYUUCMGJUBEPK-HNNXBMFYSA-N 1 2 332.404 0.923 20 30 ECEDLO C[NH+](C)C1(C#N)CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)CC1 ZINC000331807280 437161920 /nfs/dbraw/zinc/16/19/20/437161920.db2.gz RUXKFRXVGKEMTA-ZNMIVQPWSA-N 1 2 348.447 0.507 20 30 ECEDLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000176007697 437127213 /nfs/dbraw/zinc/12/72/13/437127213.db2.gz QEXCNSXNTQLTIP-UHFFFAOYSA-N 1 2 334.351 0.426 20 30 ECEDLO CN(CCC#N)S(=O)(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000331609363 437130358 /nfs/dbraw/zinc/13/03/58/437130358.db2.gz INFDBVIPNQRXBM-UHFFFAOYSA-N 1 2 343.478 0.741 20 30 ECEDLO CN(CCC#N)S(=O)(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000331609363 437130362 /nfs/dbraw/zinc/13/03/62/437130362.db2.gz INFDBVIPNQRXBM-UHFFFAOYSA-N 1 2 343.478 0.741 20 30 ECEDLO Cn1cc[nH+]c1[C@H]1CN(S(=O)(=O)c2cncc(C#N)c2)CCN1C ZINC000332383848 437217954 /nfs/dbraw/zinc/21/79/54/437217954.db2.gz XLVHCIKMXCYHJO-CQSZACIVSA-N 1 2 346.416 0.364 20 30 ECEDLO C=CCc1ccc(OCC(=O)NC[C@H]2C[NH+]3CCN2CC3)c(OC)c1 ZINC000178653030 437222034 /nfs/dbraw/zinc/22/20/34/437222034.db2.gz ZXFFKOYCBZJIPU-INIZCTEOSA-N 1 2 345.443 0.919 20 30 ECEDLO Cc1ncc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1C#N ZINC000324296860 437226382 /nfs/dbraw/zinc/22/63/82/437226382.db2.gz SXFFMETZNJPZJM-UHFFFAOYSA-N 1 2 338.433 0.339 20 30 ECEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCS(C)(=O)=O)CC1=O ZINC000179230082 437256149 /nfs/dbraw/zinc/25/61/49/437256149.db2.gz PHPLOKDICRALBU-UHFFFAOYSA-N 1 2 348.428 0.691 20 30 ECEDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)ccc1C#N ZINC000277822703 437256951 /nfs/dbraw/zinc/25/69/51/437256951.db2.gz JCOBAKZJVZDEGX-ZIAGYGMSSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)ccc1C#N ZINC000277822703 437256953 /nfs/dbraw/zinc/25/69/53/437256953.db2.gz JCOBAKZJVZDEGX-ZIAGYGMSSA-N 1 2 337.445 0.942 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)c2cccnc2)CC1 ZINC000266864991 437257132 /nfs/dbraw/zinc/25/71/32/437257132.db2.gz VYTPESXBYXZNNF-HNNXBMFYSA-N 1 2 328.416 0.469 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)c2cccnc2)CC1 ZINC000266864991 437257137 /nfs/dbraw/zinc/25/71/37/437257137.db2.gz VYTPESXBYXZNNF-HNNXBMFYSA-N 1 2 328.416 0.469 20 30 ECEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000266881685 437260584 /nfs/dbraw/zinc/26/05/84/437260584.db2.gz XTVFLNXGOIFRSJ-CYBMUJFWSA-N 1 2 343.431 0.767 20 30 ECEDLO C[C@]1(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCOC1 ZINC000328778480 437263038 /nfs/dbraw/zinc/26/30/38/437263038.db2.gz DMYXZNOOBRZHCM-CJNGLKHVSA-N 1 2 325.409 0.303 20 30 ECEDLO COCCN(CCC#N)S(=O)(=O)NCc1ccc[nH+]c1N(C)C ZINC000336907546 437307497 /nfs/dbraw/zinc/30/74/97/437307497.db2.gz FRXLPAVPOGEEAN-UHFFFAOYSA-N 1 2 341.437 0.344 20 30 ECEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2COCCN2CC)CC1 ZINC000329100431 437318442 /nfs/dbraw/zinc/31/84/42/437318442.db2.gz ZKMQJRYKRPONSM-CQSZACIVSA-N 1 2 326.441 0.218 20 30 ECEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2COCCN2CC)CC1 ZINC000329100431 437318443 /nfs/dbraw/zinc/31/84/43/437318443.db2.gz ZKMQJRYKRPONSM-CQSZACIVSA-N 1 2 326.441 0.218 20 30 ECEDLO O=C(NCc1ccc[nH+]c1N1CCOCC1)N1CCNC(=O)CC1 ZINC000329104542 437319145 /nfs/dbraw/zinc/31/91/45/437319145.db2.gz GPTASUFHSLVQLA-UHFFFAOYSA-N 1 2 333.392 0.994 20 30 ECEDLO CCNC(=O)N1CC[C@H](NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)C1 ZINC000328895508 437280650 /nfs/dbraw/zinc/28/06/50/437280650.db2.gz VHJSAEFMSFPHSD-MJBXVCDLSA-N 1 2 339.440 0.314 20 30 ECEDLO CCNC(=O)N1CC[C@H](NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)C1 ZINC000328895508 437280653 /nfs/dbraw/zinc/28/06/53/437280653.db2.gz VHJSAEFMSFPHSD-MJBXVCDLSA-N 1 2 339.440 0.314 20 30 ECEDLO O=C(C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)NCC(=O)N1CCCC1 ZINC000328963252 437295338 /nfs/dbraw/zinc/29/53/38/437295338.db2.gz LJHWMORWGFFNTB-ZNMIVQPWSA-N 1 2 339.436 0.427 20 30 ECEDLO O=C(C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)NCC(=O)N1CCCC1 ZINC000328963252 437295341 /nfs/dbraw/zinc/29/53/41/437295341.db2.gz LJHWMORWGFFNTB-ZNMIVQPWSA-N 1 2 339.436 0.427 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCc2cccc(C#N)c2)C1=O ZINC000337221299 437341471 /nfs/dbraw/zinc/34/14/71/437341471.db2.gz LDWPJITYTMHXKH-MRXNPFEDSA-N 1 2 326.400 0.893 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCc2cccc(C#N)c2)C1=O ZINC000337221299 437341475 /nfs/dbraw/zinc/34/14/75/437341475.db2.gz LDWPJITYTMHXKH-MRXNPFEDSA-N 1 2 326.400 0.893 20 30 ECEDLO Cc1nc2n(n1)C[C@H](NC(=O)N1C[C@H]([NH+]3CCOCC3)C[C@H]1C)CC2 ZINC000329423611 437367667 /nfs/dbraw/zinc/36/76/67/437367667.db2.gz HVLWSAFZSUUAKK-BPLDGKMQSA-N 1 2 348.451 0.610 20 30 ECEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)NCCC(=O)N2CCCCCC2)C1 ZINC000329450165 437370548 /nfs/dbraw/zinc/37/05/48/437370548.db2.gz LJWFOKXZGDQZAU-HNNXBMFYSA-N 1 2 339.484 0.529 20 30 ECEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NCCC(=O)N2CCCCCC2)C1 ZINC000329450165 437370553 /nfs/dbraw/zinc/37/05/53/437370553.db2.gz LJWFOKXZGDQZAU-HNNXBMFYSA-N 1 2 339.484 0.529 20 30 ECEDLO C[C@H](CN1CCOCC1)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000329188177 437332482 /nfs/dbraw/zinc/33/24/82/437332482.db2.gz BLPNDSJDFOQWLL-BZUAXINKSA-N 1 2 340.468 0.416 20 30 ECEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(Cc3nnnn3C)CC2)C1 ZINC000329217967 437335656 /nfs/dbraw/zinc/33/56/56/437335656.db2.gz RDPZOIQSWMNIKE-ZIAGYGMSSA-N 1 2 335.456 0.863 20 30 ECEDLO CCC(=O)N1CC[C@H](NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)C1 ZINC000329229691 437339766 /nfs/dbraw/zinc/33/97/66/437339766.db2.gz JMLKOFMZIOGTIL-SOUVJXGZSA-N 1 2 338.452 0.706 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCc3nccc(C(F)F)n3)C[C@H]21 ZINC000329715828 437404503 /nfs/dbraw/zinc/40/45/03/437404503.db2.gz VPBDEAVRXHNQEC-GHMZBOCLSA-N 1 2 327.335 0.843 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCc3nccc(C(F)F)n3)C[C@H]21 ZINC000329715828 437404507 /nfs/dbraw/zinc/40/45/07/437404507.db2.gz VPBDEAVRXHNQEC-GHMZBOCLSA-N 1 2 327.335 0.843 20 30 ECEDLO Cn1cc([C@@H]2CN(C([O-])=[NH+][C@@H]3CCc4[nH]c[nH+]c4C3)CCO2)cn1 ZINC000329744151 437406667 /nfs/dbraw/zinc/40/66/67/437406667.db2.gz XQXNLQFBHJVQRP-DOMZBBRYSA-N 1 2 330.392 0.988 20 30 ECEDLO Cn1cc([C@@H]2CN(C([O-])=[NH+][C@@H]3CCc4[nH+]c[nH]c4C3)CCO2)cn1 ZINC000329744151 437406669 /nfs/dbraw/zinc/40/66/69/437406669.db2.gz XQXNLQFBHJVQRP-DOMZBBRYSA-N 1 2 330.392 0.988 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(CC3CC3)n2CC)CC1 ZINC000338537884 437413436 /nfs/dbraw/zinc/41/34/36/437413436.db2.gz ZFQSWINZMRMXHH-UHFFFAOYSA-N 1 2 332.452 0.675 20 30 ECEDLO O=C(N[C@@H]1CCCS(=O)(=O)C1)N1CC[NH+](C2CCOCC2)CC1 ZINC000329858987 437421710 /nfs/dbraw/zinc/42/17/10/437421710.db2.gz WJQDRCYPLUTRQU-CYBMUJFWSA-N 1 2 345.465 0.274 20 30 ECEDLO CC(C)N1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1=O ZINC000329517586 437377521 /nfs/dbraw/zinc/37/75/21/437377521.db2.gz PLPTYFPKRPGKLK-UHFFFAOYSA-N 1 2 326.441 0.564 20 30 ECEDLO C=CCn1c([C@H]2COCCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000337819006 437381411 /nfs/dbraw/zinc/38/14/11/437381411.db2.gz QKSDCLMNJGSKDF-CQSZACIVSA-N 1 2 337.424 0.320 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2ncccc2C)CC1 ZINC000183543213 437386807 /nfs/dbraw/zinc/38/68/07/437386807.db2.gz UDEIJLKBRRDVBJ-BQYQJAHWSA-N 1 2 340.427 0.687 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2ncccc2C)CC1 ZINC000183543213 437386810 /nfs/dbraw/zinc/38/68/10/437386810.db2.gz UDEIJLKBRRDVBJ-BQYQJAHWSA-N 1 2 340.427 0.687 20 30 ECEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000289275592 437395751 /nfs/dbraw/zinc/39/57/51/437395751.db2.gz YRZHZPHLCHTFTM-BBRMVZONSA-N 1 2 342.399 0.818 20 30 ECEDLO N#C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@]12C(=O)Nc1ccccc12 ZINC000338249002 437401038 /nfs/dbraw/zinc/40/10/38/437401038.db2.gz BKMCCRBLJJHTOD-LBTNJELSSA-N 1 2 337.383 0.589 20 30 ECEDLO N#C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@]12C(=O)Nc1ccccc12 ZINC000338249002 437401043 /nfs/dbraw/zinc/40/10/43/437401043.db2.gz BKMCCRBLJJHTOD-LBTNJELSSA-N 1 2 337.383 0.589 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC000184320468 437402018 /nfs/dbraw/zinc/40/20/18/437402018.db2.gz OLUNNZNTCMDDRB-UHFFFAOYSA-N 1 2 344.415 0.940 20 30 ECEDLO C[C@H](CNC(=O)N1CCS(=O)(=O)CC[C@@H]1C)C[NH+]1CCOCC1 ZINC000330339863 437486880 /nfs/dbraw/zinc/48/68/80/437486880.db2.gz XEQCSVCHBHXCHA-KGLIPLIRSA-N 1 2 347.481 0.378 20 30 ECEDLO Cn1ccnc1[C@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CCN1C ZINC000329955754 437435740 /nfs/dbraw/zinc/43/57/40/437435740.db2.gz KWFCBKDZZNKSAD-ZIAGYGMSSA-N 1 2 343.435 0.834 20 30 ECEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000329947067 437436394 /nfs/dbraw/zinc/43/63/94/437436394.db2.gz GTPXAXHCJLXWHG-HLLBOEOZSA-N 1 2 340.468 0.416 20 30 ECEDLO CCN1CCN(C(=O)N[C@H](C)Cn2cncn2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329961923 437437088 /nfs/dbraw/zinc/43/70/88/437437088.db2.gz OYDOZQRTMJSGQD-CHWSQXEVSA-N 1 2 332.412 0.683 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O)CC1 ZINC000185415236 437438702 /nfs/dbraw/zinc/43/87/02/437438702.db2.gz OTJNHEQRFZZGEL-NPGVVQFXSA-N 1 2 342.509 0.378 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O)CC1 ZINC000185415236 437438703 /nfs/dbraw/zinc/43/87/03/437438703.db2.gz OTJNHEQRFZZGEL-NPGVVQFXSA-N 1 2 342.509 0.378 20 30 ECEDLO CC#CCCCC(=O)N1CC[NH+]([C@@H](C)C(=O)NCCCOC)CC1 ZINC000185473247 437441151 /nfs/dbraw/zinc/44/11/51/437441151.db2.gz LHGHLSRQCIVFTP-INIZCTEOSA-N 1 2 337.464 0.865 20 30 ECEDLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc[nH]c(=O)c1 ZINC000329980245 437442054 /nfs/dbraw/zinc/44/20/54/437442054.db2.gz KYUHMXGFPCSWOQ-CYBMUJFWSA-N 1 2 334.376 0.025 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(C)n2C[C@@H]2CCOC2)CC1 ZINC000339139933 437443884 /nfs/dbraw/zinc/44/38/84/437443884.db2.gz BOAAZMVBVOMKDK-HNNXBMFYSA-N 1 2 348.451 0.047 20 30 ECEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCC2(S(C)(=O)=O)CC2)C1 ZINC000330004862 437444400 /nfs/dbraw/zinc/44/44/00/437444400.db2.gz BLQFQVSSQHLPJU-LLVKDONJSA-N 1 2 326.422 0.701 20 30 ECEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)N1C[C@@H](O)C[C@H]1CO)C2 ZINC000330087016 437452756 /nfs/dbraw/zinc/45/27/56/437452756.db2.gz SOGVFLFWHYSDHW-AGIUHOORSA-N 1 2 336.436 0.837 20 30 ECEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCO[C@@H](C2CC2)C1 ZINC000330114483 437455837 /nfs/dbraw/zinc/45/58/37/437455837.db2.gz DVOZKYBCYVCXNX-MRXNPFEDSA-N 1 2 349.435 0.872 20 30 ECEDLO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)N(CC)C[C@H](C)C#N)CC1 ZINC000330384729 437498050 /nfs/dbraw/zinc/49/80/50/437498050.db2.gz ZTYGOWOEVZSLPM-KGLIPLIRSA-N 1 2 332.470 0.101 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000330404624 437502641 /nfs/dbraw/zinc/50/26/41/437502641.db2.gz DLEZEDBVQADLBT-ZDUSSCGKSA-N 1 2 326.422 0.876 20 30 ECEDLO Cc1c(C(=O)NC[C@H]2C[N@H+](C)CCO2)cccc1S(N)(=O)=O ZINC000330436330 437510883 /nfs/dbraw/zinc/51/08/83/437510883.db2.gz PGLOGNWCDBMYKZ-NSHDSACASA-N 1 2 327.406 0.278 20 30 ECEDLO Cc1c(C(=O)NC[C@H]2C[N@@H+](C)CCO2)cccc1S(N)(=O)=O ZINC000330436330 437510888 /nfs/dbraw/zinc/51/08/88/437510888.db2.gz PGLOGNWCDBMYKZ-NSHDSACASA-N 1 2 327.406 0.278 20 30 ECEDLO C=CCCOCCNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000290681987 437515070 /nfs/dbraw/zinc/51/50/70/437515070.db2.gz VPMDAQUVIIEQDP-CQSZACIVSA-N 1 2 332.404 0.485 20 30 ECEDLO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000330567398 437554207 /nfs/dbraw/zinc/55/42/07/437554207.db2.gz LNOQUEQLJAJSOF-RQJABVFESA-N 1 2 326.441 0.514 20 30 ECEDLO Cc1nc(N2CCN(C(=O)CNc3ccc(C#N)cn3)CC2)cc[nH+]1 ZINC000354203044 437557973 /nfs/dbraw/zinc/55/79/73/437557973.db2.gz JYNXLNMTKYGAQB-UHFFFAOYSA-N 1 2 337.387 0.812 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC[N@@H+]1CCO ZINC000188721932 437566019 /nfs/dbraw/zinc/56/60/19/437566019.db2.gz CZZZWYDZCOQGGI-NSHDSACASA-N 1 2 343.836 0.899 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC[N@H+]1CCO ZINC000188721932 437566026 /nfs/dbraw/zinc/56/60/26/437566026.db2.gz CZZZWYDZCOQGGI-NSHDSACASA-N 1 2 343.836 0.899 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC[N@@H+]1CCO ZINC000188723646 437566475 /nfs/dbraw/zinc/56/64/75/437566475.db2.gz KKJPAIOIBBZVBU-LLVKDONJSA-N 1 2 343.836 0.899 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC[N@H+]1CCO ZINC000188723646 437566481 /nfs/dbraw/zinc/56/64/81/437566481.db2.gz KKJPAIOIBBZVBU-LLVKDONJSA-N 1 2 343.836 0.899 20 30 ECEDLO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(C#N)o2)C1 ZINC000330674047 437585756 /nfs/dbraw/zinc/58/57/56/437585756.db2.gz QCBAKMRCCXALAC-CYBMUJFWSA-N 1 2 327.406 0.786 20 30 ECEDLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(C#N)o2)C1 ZINC000330674047 437585760 /nfs/dbraw/zinc/58/57/60/437585760.db2.gz QCBAKMRCCXALAC-CYBMUJFWSA-N 1 2 327.406 0.786 20 30 ECEDLO C[C@@H](NC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C)c1ccc(C#N)cc1 ZINC000340153944 437586183 /nfs/dbraw/zinc/58/61/83/437586183.db2.gz BNUXDNDHBRGALW-UONOGXRCSA-N 1 2 344.415 0.572 20 30 ECEDLO C[C@@H](NC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C)c1ccc(C#N)cc1 ZINC000340153944 437586188 /nfs/dbraw/zinc/58/61/88/437586188.db2.gz BNUXDNDHBRGALW-UONOGXRCSA-N 1 2 344.415 0.572 20 30 ECEDLO Cc1onc(CC(=O)NCc2ccc[nH+]c2N2CCOCC2)c1C#N ZINC000354335286 437586840 /nfs/dbraw/zinc/58/68/40/437586840.db2.gz HBCAUVGAMUBKFA-UHFFFAOYSA-N 1 2 341.371 0.945 20 30 ECEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NC(C)(C)CO)ccn2)CC1 ZINC000330896381 437644049 /nfs/dbraw/zinc/64/40/49/437644049.db2.gz SPZRQXCERZBWCJ-UHFFFAOYSA-N 1 2 335.408 0.375 20 30 ECEDLO COCCN(C)c1ccc(C=CC(=O)c2c[nH]c(=O)n(C)c2=O)c[nH+]1 ZINC000191321791 437652088 /nfs/dbraw/zinc/65/20/88/437652088.db2.gz JCJVNBGTCFSEIV-GQCTYLIASA-N 1 2 344.371 0.447 20 30 ECEDLO Cc1cn2c([nH+]1)[C@@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)CCC2 ZINC000361189130 437655559 /nfs/dbraw/zinc/65/55/59/437655559.db2.gz PSUHTHDKWWKLMC-LLVKDONJSA-N 1 2 328.376 0.450 20 30 ECEDLO CCCC[C@H](NC(N)=O)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000355326341 437698666 /nfs/dbraw/zinc/69/86/66/437698666.db2.gz TZGGQQLRMVRJDV-AWEZNQCLSA-N 1 2 339.440 0.288 20 30 ECEDLO N#CCCCC[NH+]1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000355448535 437708022 /nfs/dbraw/zinc/70/80/22/437708022.db2.gz OBXLUOQULLHZTD-UHFFFAOYSA-N 1 2 340.405 0.379 20 30 ECEDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@@]2(C)CCCO2)CCO1 ZINC000331227302 437722468 /nfs/dbraw/zinc/72/24/68/437722468.db2.gz FUEGKHOCCURHMI-IUODEOHRSA-N 1 2 328.413 0.637 20 30 ECEDLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@@]2(C)CCCO2)CCO1 ZINC000331227302 437722472 /nfs/dbraw/zinc/72/24/72/437722472.db2.gz FUEGKHOCCURHMI-IUODEOHRSA-N 1 2 328.413 0.637 20 30 ECEDLO C[C@@H](CNS(=O)(=O)c1ccc(C#N)s1)C[NH+]1CCN(C)CC1 ZINC000331230960 437722960 /nfs/dbraw/zinc/72/29/60/437722960.db2.gz HRSYDAPJOIOOOG-LBPRGKRZSA-N 1 2 342.490 0.782 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@@H]2CCCCNC2=O)CC1 ZINC000362306840 437730326 /nfs/dbraw/zinc/73/03/26/437730326.db2.gz QPPWTZFADWKKJL-CVEARBPZSA-N 1 2 349.479 0.279 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CCCCNC2=O)CC1 ZINC000362306840 437730332 /nfs/dbraw/zinc/73/03/32/437730332.db2.gz QPPWTZFADWKKJL-CVEARBPZSA-N 1 2 349.479 0.279 20 30 ECEDLO CC(C)CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000331298279 437735401 /nfs/dbraw/zinc/73/54/01/437735401.db2.gz DEZRDAKWHYUDRC-SNVBAGLBSA-N 1 2 325.369 0.641 20 30 ECEDLO CC(C)CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000331298279 437735405 /nfs/dbraw/zinc/73/54/05/437735405.db2.gz DEZRDAKWHYUDRC-SNVBAGLBSA-N 1 2 325.369 0.641 20 30 ECEDLO CC(C)CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000331298279 437735408 /nfs/dbraw/zinc/73/54/08/437735408.db2.gz DEZRDAKWHYUDRC-SNVBAGLBSA-N 1 2 325.369 0.641 20 30 ECEDLO CC(C)CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000331298279 437735411 /nfs/dbraw/zinc/73/54/11/437735411.db2.gz DEZRDAKWHYUDRC-SNVBAGLBSA-N 1 2 325.369 0.641 20 30 ECEDLO CCC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000356134628 437750849 /nfs/dbraw/zinc/75/08/49/437750849.db2.gz SHMBAFHMYKVYBO-DZGCQCFKSA-N 1 2 327.450 0.694 20 30 ECEDLO CCC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000356134628 437750852 /nfs/dbraw/zinc/75/08/52/437750852.db2.gz SHMBAFHMYKVYBO-DZGCQCFKSA-N 1 2 327.450 0.694 20 30 ECEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCCCC#N ZINC000344416738 437754051 /nfs/dbraw/zinc/75/40/51/437754051.db2.gz HKFLIHDRJMSLHR-UHFFFAOYSA-N 1 2 331.376 0.585 20 30 ECEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000346978535 437822948 /nfs/dbraw/zinc/82/29/48/437822948.db2.gz JTCTVNVJQAUWOC-CHWSQXEVSA-N 1 2 327.450 0.836 20 30 ECEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000346978535 437822953 /nfs/dbraw/zinc/82/29/53/437822953.db2.gz JTCTVNVJQAUWOC-CHWSQXEVSA-N 1 2 327.450 0.836 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000345038694 437775966 /nfs/dbraw/zinc/77/59/66/437775966.db2.gz ULAKICXGQVUBBF-KRWDZBQOSA-N 1 2 343.427 0.741 20 30 ECEDLO Cn1cc([C@H]2C[C@H]2C(=O)N(CCC#N)CC[NH+]2CCOCC2)cn1 ZINC000363376908 437784348 /nfs/dbraw/zinc/78/43/48/437784348.db2.gz SSTHKICBDGITRH-HZPDHXFCSA-N 1 2 331.420 0.598 20 30 ECEDLO COc1cc([C@@H](C#N)NC(=O)[C@@H]2C[N@H+](C)CCO2)cc(OC)c1OC ZINC000345261941 437785927 /nfs/dbraw/zinc/78/59/27/437785927.db2.gz VTFGWGZZWOKZES-DOMZBBRYSA-N 1 2 349.387 0.724 20 30 ECEDLO COc1cc([C@@H](C#N)NC(=O)[C@@H]2C[N@@H+](C)CCO2)cc(OC)c1OC ZINC000345261941 437785933 /nfs/dbraw/zinc/78/59/33/437785933.db2.gz VTFGWGZZWOKZES-DOMZBBRYSA-N 1 2 349.387 0.724 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000363681277 437805504 /nfs/dbraw/zinc/80/55/04/437805504.db2.gz ZPQWOPHSNRVFRG-AWEZNQCLSA-N 1 2 331.420 0.923 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000363681277 437805509 /nfs/dbraw/zinc/80/55/09/437805509.db2.gz ZPQWOPHSNRVFRG-AWEZNQCLSA-N 1 2 331.420 0.923 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000341189374 437812477 /nfs/dbraw/zinc/81/24/77/437812477.db2.gz LYGZHRBWBPKJJG-LBPRGKRZSA-N 1 2 335.383 0.743 20 30 ECEDLO CN(CC(=O)OC(C)(C)C)[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)C[C@@H]1O ZINC000347078612 437829671 /nfs/dbraw/zinc/82/96/71/437829671.db2.gz HVKRVSDIVXWRMU-KFWWJZLASA-N 1 2 336.436 0.749 20 30 ECEDLO CN(CC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)C[C@@H]1O ZINC000347078612 437829676 /nfs/dbraw/zinc/82/96/76/437829676.db2.gz HVKRVSDIVXWRMU-KFWWJZLASA-N 1 2 336.436 0.749 20 30 ECEDLO C[N@H+](CC(=O)OC(C)(C)C)[C@@H]1CN(C[C@@H](C#N)CCC#N)C[C@@H]1O ZINC000347078612 437829680 /nfs/dbraw/zinc/82/96/80/437829680.db2.gz HVKRVSDIVXWRMU-KFWWJZLASA-N 1 2 336.436 0.749 20 30 ECEDLO C[N@@H+](CC(=O)OC(C)(C)C)[C@@H]1CN(C[C@@H](C#N)CCC#N)C[C@@H]1O ZINC000347078612 437829688 /nfs/dbraw/zinc/82/96/88/437829688.db2.gz HVKRVSDIVXWRMU-KFWWJZLASA-N 1 2 336.436 0.749 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1c[nH+]cn1C ZINC000356804435 437840029 /nfs/dbraw/zinc/84/00/29/437840029.db2.gz YIIQMDLIEKCTKE-LLVKDONJSA-N 1 2 347.400 0.275 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)CN1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000370795284 437842749 /nfs/dbraw/zinc/84/27/49/437842749.db2.gz GTPZMQPYDVRRSM-QGZVFWFLSA-N 1 2 349.479 0.457 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000341458481 437848047 /nfs/dbraw/zinc/84/80/47/437848047.db2.gz PHFVQFWKLNXNRX-UHFFFAOYSA-N 1 2 344.375 0.473 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2nc(C)cc(C#N)n2)CC1 ZINC000341994580 437934343 /nfs/dbraw/zinc/93/43/43/437934343.db2.gz NXKNTHHFLURXPU-CQSZACIVSA-N 1 2 346.435 0.320 20 30 ECEDLO CN1C(=O)NC2(CC[NH+](CC(=O)Nc3ccc(C#N)cc3)CC2)C1=O ZINC000371195662 437897206 /nfs/dbraw/zinc/89/72/06/437897206.db2.gz OESQCWCYCQCALJ-UHFFFAOYSA-N 1 2 341.371 0.513 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000347529721 437903530 /nfs/dbraw/zinc/90/35/30/437903530.db2.gz NLIFCMUBOORYIZ-HNNXBMFYSA-N 1 2 332.452 0.546 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(Cc2cnn(C)c2)CC1 ZINC000347529721 437903538 /nfs/dbraw/zinc/90/35/38/437903538.db2.gz NLIFCMUBOORYIZ-HNNXBMFYSA-N 1 2 332.452 0.546 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC000365581592 437935416 /nfs/dbraw/zinc/93/54/16/437935416.db2.gz PRTIUWMOGZBVIU-CYBMUJFWSA-N 1 2 327.375 0.706 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC000365581592 437935423 /nfs/dbraw/zinc/93/54/23/437935423.db2.gz PRTIUWMOGZBVIU-CYBMUJFWSA-N 1 2 327.375 0.706 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000348287490 438042651 /nfs/dbraw/zinc/04/26/51/438042651.db2.gz UQIWUYWRROOKDL-UHFFFAOYSA-N 1 2 329.404 0.378 20 30 ECEDLO C=CC[C@H](CO)NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000371801865 437993417 /nfs/dbraw/zinc/99/34/17/437993417.db2.gz IEIYVWJNAJULDW-UKRRQHHQSA-N 1 2 329.466 0.431 20 30 ECEDLO Cc1cc(NC(=O)NC(C)(C)C[NH+]2CCOCC2)nn1CCC#N ZINC000416962762 438008442 /nfs/dbraw/zinc/00/84/42/438008442.db2.gz VEJOAJAIZYJTDZ-UHFFFAOYSA-N 1 2 334.424 1.338 20 30 ECEDLO CCN1CCN(CC(=O)N(CCC#N)CCC#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000348366237 438054985 /nfs/dbraw/zinc/05/49/85/438054985.db2.gz IDIPYRAIALOEMO-OAHLLOKOSA-N 1 2 343.435 0.744 20 30 ECEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370353 438079715 /nfs/dbraw/zinc/07/97/15/438079715.db2.gz QPVXEBFTSKRWAP-HKUYNNGSSA-N 1 2 347.507 0.895 20 30 ECEDLO C=CC[N@@H+](C)CCN(CC)[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000429712788 438104980 /nfs/dbraw/zinc/10/49/80/438104980.db2.gz CEKSHMXOAITWCH-LSDHHAIUSA-N 1 2 345.509 0.460 20 30 ECEDLO C=CC[N@H+](C)CCN(CC)[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000429712788 438104986 /nfs/dbraw/zinc/10/49/86/438104986.db2.gz CEKSHMXOAITWCH-LSDHHAIUSA-N 1 2 345.509 0.460 20 30 ECEDLO C=CCN(C)CC[N@@H+](CC)[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000429712788 438104990 /nfs/dbraw/zinc/10/49/90/438104990.db2.gz CEKSHMXOAITWCH-LSDHHAIUSA-N 1 2 345.509 0.460 20 30 ECEDLO C=CCN(C)CC[N@H+](CC)[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000429712788 438104995 /nfs/dbraw/zinc/10/49/95/438104995.db2.gz CEKSHMXOAITWCH-LSDHHAIUSA-N 1 2 345.509 0.460 20 30 ECEDLO C=CCOc1ccccc1C[NH+]1CCN(C(=O)Cn2cnnn2)CC1 ZINC000349062679 438129273 /nfs/dbraw/zinc/12/92/73/438129273.db2.gz NHMNCNHDJMPPCU-UHFFFAOYSA-N 1 2 342.403 0.582 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C ZINC000349775787 438179648 /nfs/dbraw/zinc/17/96/48/438179648.db2.gz LDZUXUCCSQZCMC-KBPBESRZSA-N 1 2 330.454 0.262 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1C ZINC000349803082 438180968 /nfs/dbraw/zinc/18/09/68/438180968.db2.gz RNYYOJYQAHQWPB-HZSPNIEDSA-N 1 2 330.454 0.260 20 30 ECEDLO N#CCNC(=O)CNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000358285359 438193261 /nfs/dbraw/zinc/19/32/61/438193261.db2.gz ZCNBTYXLDMAFSU-QPJJXVBHSA-N 1 2 341.415 0.667 20 30 ECEDLO COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367057197 438160708 /nfs/dbraw/zinc/16/07/08/438160708.db2.gz HBHQFDDZIDGVQV-CYBMUJFWSA-N 1 2 330.388 0.616 20 30 ECEDLO N#C[C@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CCN1C1CC1 ZINC000373580259 438162192 /nfs/dbraw/zinc/16/21/92/438162192.db2.gz VLPBBQUQRPCNJD-IRXDYDNUSA-N 1 2 332.448 0.829 20 30 ECEDLO N#C[C@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CCN1C1CC1 ZINC000373580259 438162197 /nfs/dbraw/zinc/16/21/97/438162197.db2.gz VLPBBQUQRPCNJD-IRXDYDNUSA-N 1 2 332.448 0.829 20 30 ECEDLO C=CC[C@H](CO)NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000349589585 438163490 /nfs/dbraw/zinc/16/34/90/438163490.db2.gz RDSJLCPFCCQFDA-CYBMUJFWSA-N 1 2 340.445 0.689 20 30 ECEDLO N#CC1(c2ccccn2)CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000367151919 438172297 /nfs/dbraw/zinc/17/22/97/438172297.db2.gz CWROHYDIODFNJK-UHFFFAOYSA-N 1 2 343.431 0.981 20 30 ECEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCC(C)(C)C#N)CC1 ZINC000358619042 438268079 /nfs/dbraw/zinc/26/80/79/438268079.db2.gz RMUNOQYLMCVFEP-AWEZNQCLSA-N 1 2 335.452 0.874 20 30 ECEDLO CN(C)c1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)nc1 ZINC000358628568 438269244 /nfs/dbraw/zinc/26/92/44/438269244.db2.gz KZBVRLZWVCVVJW-UHFFFAOYSA-N 1 2 331.420 0.836 20 30 ECEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000351498795 438272905 /nfs/dbraw/zinc/27/29/05/438272905.db2.gz BFQBABKLSANPBD-UKRRQHHQSA-N 1 2 333.388 0.135 20 30 ECEDLO C#CCCCS(=O)(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000376357150 438279428 /nfs/dbraw/zinc/27/94/28/438279428.db2.gz DEZTVYACXFNHKC-INIZCTEOSA-N 1 2 327.494 0.832 20 30 ECEDLO CN1CCN(S(=O)(=O)CCC(C)(C)C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000377854006 438328560 /nfs/dbraw/zinc/32/85/60/438328560.db2.gz DHKDCBFQRQXBMT-GFCCVEGCSA-N 1 2 325.438 0.968 20 30 ECEDLO COC(=O)C[N@@H+]1CCCN(CC(=O)Nc2sccc2C#N)CC1 ZINC000378061680 438343908 /nfs/dbraw/zinc/34/39/08/438343908.db2.gz RSWNHQPIGZMECQ-UHFFFAOYSA-N 1 2 336.417 0.739 20 30 ECEDLO COC(=O)C[N@H+]1CCCN(CC(=O)Nc2sccc2C#N)CC1 ZINC000378061680 438343911 /nfs/dbraw/zinc/34/39/11/438343911.db2.gz RSWNHQPIGZMECQ-UHFFFAOYSA-N 1 2 336.417 0.739 20 30 ECEDLO C=CCCCCCCNC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000377045284 438300794 /nfs/dbraw/zinc/30/07/94/438300794.db2.gz SOLBOKBQQYETRV-OAHLLOKOSA-N 1 2 340.468 0.950 20 30 ECEDLO C=CCCCCCCNC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000377045284 438300799 /nfs/dbraw/zinc/30/07/99/438300799.db2.gz SOLBOKBQQYETRV-OAHLLOKOSA-N 1 2 340.468 0.950 20 30 ECEDLO C[C@@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@]2(CCCOC2)O1 ZINC000377214541 438306198 /nfs/dbraw/zinc/30/61/98/438306198.db2.gz NJOJZQFIPACHGB-WBVHZDCISA-N 1 2 334.420 0.912 20 30 ECEDLO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@]2(CCCOC2)O1 ZINC000377214541 438306201 /nfs/dbraw/zinc/30/62/01/438306201.db2.gz NJOJZQFIPACHGB-WBVHZDCISA-N 1 2 334.420 0.912 20 30 ECEDLO C=CC[C@@H](CO)NC(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000368286655 438309386 /nfs/dbraw/zinc/30/93/86/438309386.db2.gz VTOQNUYHWKAFDE-HOCLYGCPSA-N 1 2 327.425 0.104 20 30 ECEDLO Cn1cc[nH+]c1CN1CCCN(C(=O)C2(C#N)CCOCC2)CC1 ZINC000377623212 438315110 /nfs/dbraw/zinc/31/51/10/438315110.db2.gz NKHBNQCGNSTDQJ-UHFFFAOYSA-N 1 2 331.420 0.775 20 30 ECEDLO COC(=O)CCNC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000369214365 438439189 /nfs/dbraw/zinc/43/91/89/438439189.db2.gz JRTWVHTUCNEOBE-UHFFFAOYSA-N 1 2 330.388 0.618 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)C1([NH+](C)C)Cc2ccccc2C1 ZINC000378628664 438408938 /nfs/dbraw/zinc/40/89/38/438408938.db2.gz CPJVSYGRNBVIEF-UHFFFAOYSA-N 1 2 336.457 0.803 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccccc2)C1 ZINC000369032615 438414370 /nfs/dbraw/zinc/41/43/70/438414370.db2.gz NMNBWUPFMDEMJQ-GJZGRUSLSA-N 1 2 349.456 0.567 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NS(=O)(=O)c2ccccc2)C1 ZINC000369032615 438414373 /nfs/dbraw/zinc/41/43/73/438414373.db2.gz NMNBWUPFMDEMJQ-GJZGRUSLSA-N 1 2 349.456 0.567 20 30 ECEDLO CC(C)[C@H](CNC(=O)C(=O)NCC(C)(C)CC#N)[NH+]1CCOCC1 ZINC000421199249 438471455 /nfs/dbraw/zinc/47/14/55/438471455.db2.gz JZPXHTYRRVMQKH-AWEZNQCLSA-N 1 2 338.452 0.515 20 30 ECEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000437993856 438461910 /nfs/dbraw/zinc/46/19/10/438461910.db2.gz FXOAESIUHDHTBM-ZIAGYGMSSA-N 1 2 338.452 0.559 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000369988148 438537134 /nfs/dbraw/zinc/53/71/34/438537134.db2.gz URVMTUVUQRJJES-CYBMUJFWSA-N 1 2 340.449 0.969 20 30 ECEDLO C[C@H]1C[N@H+](C[C@H]2CN(C)CCO2)CCN1C(=O)C1(C#N)CCCC1 ZINC000370050926 438548581 /nfs/dbraw/zinc/54/85/81/438548581.db2.gz UGDUNJJXFUXEPN-JKSUJKDBSA-N 1 2 334.464 0.934 20 30 ECEDLO C[C@H]1C[N@@H+](C[C@H]2CN(C)CCO2)CCN1C(=O)C1(C#N)CCCC1 ZINC000370050926 438548584 /nfs/dbraw/zinc/54/85/84/438548584.db2.gz UGDUNJJXFUXEPN-JKSUJKDBSA-N 1 2 334.464 0.934 20 30 ECEDLO COC(=O)[C@@H](O)C1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000441264456 438581155 /nfs/dbraw/zinc/58/11/55/438581155.db2.gz KSPRFHVBXVBTAQ-GJZGRUSLSA-N 1 2 331.372 0.331 20 30 ECEDLO C[C@H](C#N)CN(C)C(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000410482246 438589953 /nfs/dbraw/zinc/58/99/53/438589953.db2.gz IANUPBNAGKCSEP-HUUCEWRRSA-N 1 2 336.436 0.318 20 30 ECEDLO CC#CCCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000440719694 438562380 /nfs/dbraw/zinc/56/23/80/438562380.db2.gz WEKGZNUEERIIEJ-UHFFFAOYSA-N 1 2 342.443 0.902 20 30 ECEDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(C#N)c(O)c2)[C@H](C)C1 ZINC000442673247 438617698 /nfs/dbraw/zinc/61/76/98/438617698.db2.gz QZTHQQYBEIEORJ-GFCCVEGCSA-N 1 2 331.372 0.973 20 30 ECEDLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(C#N)c(O)c2)[C@H](C)C1 ZINC000442673247 438617702 /nfs/dbraw/zinc/61/77/02/438617702.db2.gz QZTHQQYBEIEORJ-GFCCVEGCSA-N 1 2 331.372 0.973 20 30 ECEDLO C=C(C)CN(CC)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000445935645 438668711 /nfs/dbraw/zinc/66/87/11/438668711.db2.gz SKQLVCNOJOXCNY-UHFFFAOYSA-N 1 2 349.435 0.578 20 30 ECEDLO CCN(CC)C(=O)CCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000446120834 438668725 /nfs/dbraw/zinc/66/87/25/438668725.db2.gz CPVCKTQUIGMCRO-UHFFFAOYSA-N 1 2 338.452 0.709 20 30 ECEDLO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCOCC2)c1 ZINC000453590786 438684239 /nfs/dbraw/zinc/68/42/39/438684239.db2.gz IHSVNYSFTCSXAI-ZDUSSCGKSA-N 1 2 330.388 0.642 20 30 ECEDLO Cc1cc(C#N)cc(NC(=O)C(=O)NCC[N@H+]2CCOC[C@H]2C)c1 ZINC000453649628 438686454 /nfs/dbraw/zinc/68/64/54/438686454.db2.gz ZBALDVKGVYXJTI-CYBMUJFWSA-N 1 2 330.388 0.642 20 30 ECEDLO Cc1cc(C#N)cc(NC(=O)C(=O)NCC[N@@H+]2CCOC[C@H]2C)c1 ZINC000453649628 438686459 /nfs/dbraw/zinc/68/64/59/438686459.db2.gz ZBALDVKGVYXJTI-CYBMUJFWSA-N 1 2 330.388 0.642 20 30 ECEDLO CC[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cccc(CC#N)c2)CCO1 ZINC000453741408 438692996 /nfs/dbraw/zinc/69/29/96/438692996.db2.gz OVDRTLBHVDRVNN-MRXNPFEDSA-N 1 2 344.415 0.918 20 30 ECEDLO CC[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cccc(CC#N)c2)CCO1 ZINC000453741408 438692997 /nfs/dbraw/zinc/69/29/97/438692997.db2.gz OVDRTLBHVDRVNN-MRXNPFEDSA-N 1 2 344.415 0.918 20 30 ECEDLO Cc1cc(C#N)cc(NC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)c1 ZINC000455953508 438754926 /nfs/dbraw/zinc/75/49/26/438754926.db2.gz KNKSIAHXILJSJL-HNNXBMFYSA-N 1 2 345.403 0.517 20 30 ECEDLO Cc1cc(C#N)cc(NC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)c1 ZINC000455953508 438754929 /nfs/dbraw/zinc/75/49/29/438754929.db2.gz KNKSIAHXILJSJL-HNNXBMFYSA-N 1 2 345.403 0.517 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COc1ccc2c(c1)CCC(=O)N2 ZINC000576044321 438766936 /nfs/dbraw/zinc/76/69/36/438766936.db2.gz PCXMTFYGSWBRLS-KRWDZBQOSA-N 1 2 330.388 0.910 20 30 ECEDLO Cn1c(C[NH+]2CCN(c3ccsc3C#N)CC2)cc(=O)n(C)c1=O ZINC000595629940 438836860 /nfs/dbraw/zinc/83/68/60/438836860.db2.gz ASESDKWZIXXIFO-UHFFFAOYSA-N 1 2 345.428 0.339 20 30 ECEDLO N#CCCN1CCN(C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000601445606 438898538 /nfs/dbraw/zinc/89/85/38/438898538.db2.gz ZIUWPHTXZVKBRK-UHFFFAOYSA-N 1 2 344.419 0.174 20 30 ECEDLO C=CC[N@H+](CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000595763209 438859493 /nfs/dbraw/zinc/85/94/93/438859493.db2.gz KSYFDVWQUFVVJS-LLVKDONJSA-N 1 2 331.438 0.286 20 30 ECEDLO C=CC[N@@H+](CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000595763209 438859501 /nfs/dbraw/zinc/85/95/01/438859501.db2.gz KSYFDVWQUFVVJS-LLVKDONJSA-N 1 2 331.438 0.286 20 30 ECEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@H](CO)C1 ZINC000601469113 438907555 /nfs/dbraw/zinc/90/75/55/438907555.db2.gz KGLIPTKUEWKNSE-NSHDSACASA-N 1 2 329.809 0.509 20 30 ECEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@H](CO)C1 ZINC000601469113 438907561 /nfs/dbraw/zinc/90/75/61/438907561.db2.gz KGLIPTKUEWKNSE-NSHDSACASA-N 1 2 329.809 0.509 20 30 ECEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000563363724 438862445 /nfs/dbraw/zinc/86/24/45/438862445.db2.gz ADFWRUGZGVGXFP-UONOGXRCSA-N 1 2 329.466 0.940 20 30 ECEDLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@](C)(C#N)C2)CC1 ZINC000595834342 438868463 /nfs/dbraw/zinc/86/84/63/438868463.db2.gz JBUQZKBOAHNIED-GOSISDBHSA-N 1 2 349.479 0.281 20 30 ECEDLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CC[C@](C)(C#N)C2)CC1 ZINC000595834342 438868467 /nfs/dbraw/zinc/86/84/67/438868467.db2.gz JBUQZKBOAHNIED-GOSISDBHSA-N 1 2 349.479 0.281 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000601424518 438888484 /nfs/dbraw/zinc/88/84/84/438888484.db2.gz LNMMQSHCYQIXDJ-CQSZACIVSA-N 1 2 330.454 0.263 20 30 ECEDLO CCc1nc(C#N)cc(N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)n1 ZINC000596065850 438920728 /nfs/dbraw/zinc/92/07/28/438920728.db2.gz WBWIJINEKPIBAN-LBPRGKRZSA-N 1 2 328.420 0.700 20 30 ECEDLO N#Cc1cnnc(NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC000596125481 438929869 /nfs/dbraw/zinc/92/98/69/438929869.db2.gz CNJADNRAONSGRU-UHFFFAOYSA-N 1 2 342.447 1.485 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+](CCOC)Cc1c(C)nn(C)c1C ZINC000459569247 438975547 /nfs/dbraw/zinc/97/55/47/438975547.db2.gz MBZVRZYYMLRJIG-UHFFFAOYSA-N 1 2 337.424 0.497 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+](CCOC)Cc1c(C)nn(C)c1C ZINC000459569247 438975552 /nfs/dbraw/zinc/97/55/52/438975552.db2.gz MBZVRZYYMLRJIG-UHFFFAOYSA-N 1 2 337.424 0.497 20 30 ECEDLO Cc1onc(CC(=O)N2CC[NH+](CCc3cnccn3)CC2)c1C#N ZINC000601888764 438984412 /nfs/dbraw/zinc/98/44/12/438984412.db2.gz XIPFYAYDWYUZKP-UHFFFAOYSA-N 1 2 340.387 0.574 20 30 ECEDLO C=CCNC(=O)c1ccc(N2CC[NH+](CC(=O)N(C)C)CC2)nc1 ZINC000602537156 439107799 /nfs/dbraw/zinc/10/77/99/439107799.db2.gz MUDXIXQZBXPXFG-UHFFFAOYSA-N 1 2 331.420 0.208 20 30 ECEDLO CN(CCC#N)S(=O)(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000580216897 439074149 /nfs/dbraw/zinc/07/41/49/439074149.db2.gz KXCLNRNAXOIDEV-NSHDSACASA-N 1 2 329.426 0.160 20 30 ECEDLO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602866544 439146783 /nfs/dbraw/zinc/14/67/83/439146783.db2.gz VVIDMTHDOAJCKH-GMTAPVOTSA-N 1 2 349.357 0.681 20 30 ECEDLO C[C@@H]1C[NH+](CC(=O)NC(=O)NCc2cccs2)C[C@@H](C)N1CC#N ZINC000602858736 439147174 /nfs/dbraw/zinc/14/71/74/439147174.db2.gz UTDZRNXAFZTHMT-CHWSQXEVSA-N 1 2 349.460 0.992 20 30 ECEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000602862830 439148681 /nfs/dbraw/zinc/14/86/81/439148681.db2.gz KCGREQXFCJZYGR-RDBSUJKOSA-N 1 2 343.449 0.073 20 30 ECEDLO CCOC(=O)CNC(=O)C1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592084749 439148737 /nfs/dbraw/zinc/14/87/37/439148737.db2.gz TZXJUUPBCUQQKB-UHFFFAOYSA-N 1 2 330.388 0.845 20 30 ECEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000602904627 439157162 /nfs/dbraw/zinc/15/71/62/439157162.db2.gz YYYMFCMRAXBBKN-CYBMUJFWSA-N 1 2 346.416 0.941 20 30 ECEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000602904627 439157165 /nfs/dbraw/zinc/15/71/65/439157165.db2.gz YYYMFCMRAXBBKN-CYBMUJFWSA-N 1 2 346.416 0.941 20 30 ECEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602937146 439164589 /nfs/dbraw/zinc/16/45/89/439164589.db2.gz RFWLUSSGIKNPFE-DOPJRALCSA-N 1 2 341.367 0.757 20 30 ECEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602937146 439164594 /nfs/dbraw/zinc/16/45/94/439164594.db2.gz RFWLUSSGIKNPFE-DOPJRALCSA-N 1 2 341.367 0.757 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)nn1 ZINC000603260598 439222194 /nfs/dbraw/zinc/22/21/94/439222194.db2.gz ZVHQSUGDKYBDLH-AWEZNQCLSA-N 1 2 347.419 0.506 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000592192287 439174668 /nfs/dbraw/zinc/17/46/68/439174668.db2.gz BTVKGHMYTCZKOC-RAIGVLPGSA-N 1 2 349.387 0.951 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000592192287 439174670 /nfs/dbraw/zinc/17/46/70/439174670.db2.gz BTVKGHMYTCZKOC-RAIGVLPGSA-N 1 2 349.387 0.951 20 30 ECEDLO C[N@H+](CCC#N)C[C@H](O)CN[C@@H](CO)c1nc(-c2ccccc2)no1 ZINC000592432413 439227053 /nfs/dbraw/zinc/22/70/53/439227053.db2.gz WVISIFLKUUXSRZ-CABCVRRESA-N 1 2 345.403 0.566 20 30 ECEDLO C[N@@H+](CCC#N)C[C@H](O)CN[C@@H](CO)c1nc(-c2ccccc2)no1 ZINC000592432413 439227057 /nfs/dbraw/zinc/22/70/57/439227057.db2.gz WVISIFLKUUXSRZ-CABCVRRESA-N 1 2 345.403 0.566 20 30 ECEDLO CN(CCC#N)C[C@H](O)C[NH2+][C@@H](CO)c1nc(-c2ccccc2)no1 ZINC000592432413 439227061 /nfs/dbraw/zinc/22/70/61/439227061.db2.gz WVISIFLKUUXSRZ-CABCVRRESA-N 1 2 345.403 0.566 20 30 ECEDLO COCCOCC[NH+]1CCN(C(=O)CC2(C#N)CCOCC2)CC1 ZINC000597823153 439187159 /nfs/dbraw/zinc/18/71/59/439187159.db2.gz XXIPKAJOCRNTPG-UHFFFAOYSA-N 1 2 339.436 0.504 20 30 ECEDLO CN(Cc1c[nH+]c[nH]1)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC000597865032 439196001 /nfs/dbraw/zinc/19/60/01/439196001.db2.gz QNUBFUKGKDBKAD-UHFFFAOYSA-N 1 2 347.400 0.874 20 30 ECEDLO CN(Cc1c[nH]c[nH+]1)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC000597865032 439196003 /nfs/dbraw/zinc/19/60/03/439196003.db2.gz QNUBFUKGKDBKAD-UHFFFAOYSA-N 1 2 347.400 0.874 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)Cn1cc(C[NH+]2CCSCC2)nn1 ZINC000603209013 439209138 /nfs/dbraw/zinc/20/91/38/439209138.db2.gz MNFCETRGPHNOPA-ZDUSSCGKSA-N 1 2 336.465 0.835 20 30 ECEDLO Cc1nnnn1-c1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(F)c1 ZINC000581432597 439210984 /nfs/dbraw/zinc/21/09/84/439210984.db2.gz DEINDZKOXHMKLG-HNNXBMFYSA-N 1 2 331.355 0.684 20 30 ECEDLO N#Cc1cccc(C(=O)NCc2cn(CC[NH+]3CCOCC3)nn2)c1 ZINC000603215778 439211182 /nfs/dbraw/zinc/21/11/82/439211182.db2.gz KIVLBRTZBVLPSJ-UHFFFAOYSA-N 1 2 340.387 0.412 20 30 ECEDLO C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc3[nH+]ccn3c2)C1=O ZINC000603785553 439279907 /nfs/dbraw/zinc/27/99/07/439279907.db2.gz BHBQMZHYZCUYGL-UHFFFAOYSA-N 1 2 327.300 0.250 20 30 ECEDLO C=CC(=O)NCCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000490644347 439282579 /nfs/dbraw/zinc/28/25/79/439282579.db2.gz CJUIGXZAWROVPK-UHFFFAOYSA-N 1 2 326.400 0.895 20 30 ECEDLO CN(C)S(=O)(=O)c1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)co1 ZINC000581669629 439240258 /nfs/dbraw/zinc/24/02/58/439240258.db2.gz AZQBDZDVNFRCBS-CYBMUJFWSA-N 1 2 328.394 0.104 20 30 ECEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CC[C@](O)(CC#N)C2)C1 ZINC000603369040 439249046 /nfs/dbraw/zinc/24/90/46/439249046.db2.gz UQTXGXDLPUAHDN-MRXNPFEDSA-N 1 2 335.429 0.714 20 30 ECEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CC[C@](O)(CC#N)C2)C1 ZINC000603369040 439249051 /nfs/dbraw/zinc/24/90/51/439249051.db2.gz UQTXGXDLPUAHDN-MRXNPFEDSA-N 1 2 335.429 0.714 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(CC)nnc2C)CC1 ZINC000490986884 439319399 /nfs/dbraw/zinc/31/93/99/439319399.db2.gz VQQSVFNNMOAPEB-UHFFFAOYSA-N 1 2 343.431 0.245 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(CC)nnc2C)CC1 ZINC000490986884 439319403 /nfs/dbraw/zinc/31/94/03/439319403.db2.gz VQQSVFNNMOAPEB-UHFFFAOYSA-N 1 2 343.431 0.245 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](CN2C(=O)N[C@@](C)(C(C)C)C2=O)CC1 ZINC000491069829 439327671 /nfs/dbraw/zinc/32/76/71/439327671.db2.gz YUOFXNKRHKMZNS-KRWDZBQOSA-N 1 2 334.420 0.372 20 30 ECEDLO N#Cc1ccc(C[N@H+](CCO)CCN2CCOCC2)c([N+](=O)[O-])c1 ZINC000593016298 439330173 /nfs/dbraw/zinc/33/01/73/439330173.db2.gz LPSNVXSPHLWUBD-UHFFFAOYSA-N 1 2 334.376 0.593 20 30 ECEDLO N#Cc1ccc(C[N@@H+](CCO)CCN2CCOCC2)c([N+](=O)[O-])c1 ZINC000593016298 439330181 /nfs/dbraw/zinc/33/01/81/439330181.db2.gz LPSNVXSPHLWUBD-UHFFFAOYSA-N 1 2 334.376 0.593 20 30 ECEDLO N#Cc1ccc(CN(CCO)CC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000593016298 439330186 /nfs/dbraw/zinc/33/01/86/439330186.db2.gz LPSNVXSPHLWUBD-UHFFFAOYSA-N 1 2 334.376 0.593 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCc3n[nH]cc32)CC1 ZINC000490819668 439300433 /nfs/dbraw/zinc/30/04/33/439300433.db2.gz JQQXQALTPKTJRV-AWEZNQCLSA-N 1 2 343.431 0.113 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCc3n[nH]cc32)CC1 ZINC000490819668 439300440 /nfs/dbraw/zinc/30/04/40/439300440.db2.gz JQQXQALTPKTJRV-AWEZNQCLSA-N 1 2 343.431 0.113 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2OCCOC)CC1 ZINC000490865784 439305528 /nfs/dbraw/zinc/30/55/28/439305528.db2.gz HKEANNNEEKIGLD-MRXNPFEDSA-N 1 2 345.443 0.972 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCC(=O)[C@H](C)C2)CC1 ZINC000490899888 439308821 /nfs/dbraw/zinc/30/88/21/439308821.db2.gz QVNICMSUKULMRX-CABCVRRESA-N 1 2 333.432 0.275 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC(=O)[C@H](C)C2)CC1 ZINC000490899888 439308824 /nfs/dbraw/zinc/30/88/24/439308824.db2.gz QVNICMSUKULMRX-CABCVRRESA-N 1 2 333.432 0.275 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@H](C)C(=O)NCc2ccccc2)CC1 ZINC000491266642 439357944 /nfs/dbraw/zinc/35/79/44/439357944.db2.gz QARPIGXQKXREJK-MRXNPFEDSA-N 1 2 342.443 0.058 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H](C)n2cccn2)CC1 ZINC000491486011 439391760 /nfs/dbraw/zinc/39/17/60/439391760.db2.gz SDQHDOAYIYRHJJ-HNNXBMFYSA-N 1 2 331.420 0.118 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](C)n2cccn2)CC1 ZINC000491486011 439391770 /nfs/dbraw/zinc/39/17/70/439391770.db2.gz SDQHDOAYIYRHJJ-HNNXBMFYSA-N 1 2 331.420 0.118 20 30 ECEDLO C#CCNS(=O)(=O)c1cccc(C(=O)OCc2c[nH+]cn2C)c1 ZINC000491517114 439398676 /nfs/dbraw/zinc/39/86/76/439398676.db2.gz XHKMEANZLLSQIM-UHFFFAOYSA-N 1 2 333.369 0.689 20 30 ECEDLO C#CCNS(=O)(=O)c1cccc(C(=O)NCCc2cn(C)c[nH+]2)c1 ZINC000491517152 439399564 /nfs/dbraw/zinc/39/95/64/439399564.db2.gz XMFJIPWYSOCVFS-UHFFFAOYSA-N 1 2 346.412 0.304 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2nc(C)c(CCC(=O)OC)c2C)CC1 ZINC000491554793 439406559 /nfs/dbraw/zinc/40/65/59/439406559.db2.gz MEPHXEMFERPDOO-UHFFFAOYSA-N 1 2 346.431 0.383 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CSc1nnnn1C1CCCC1 ZINC000583059895 439415671 /nfs/dbraw/zinc/41/56/71/439415671.db2.gz GYSIIEATGZKYHS-AWEZNQCLSA-N 1 2 337.453 0.840 20 30 ECEDLO C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)n1 ZINC000491660353 439421720 /nfs/dbraw/zinc/42/17/20/439421720.db2.gz OJOWHNOZLCLQSO-OAHLLOKOSA-N 1 2 341.415 0.950 20 30 ECEDLO CCOC(=O)C[C@H](O)C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000599313840 439428451 /nfs/dbraw/zinc/42/84/51/439428451.db2.gz OLWJRRCPVYEHKT-ZDUSSCGKSA-N 1 2 348.403 0.860 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000491696526 439429037 /nfs/dbraw/zinc/42/90/37/439429037.db2.gz JHMYZQVJMMWKFZ-UHFFFAOYSA-N 1 2 344.327 0.280 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2nnc3ccc(Cl)cc3c2=O)CC1 ZINC000491710631 439432354 /nfs/dbraw/zinc/43/23/54/439432354.db2.gz YRJBJLHFVUKXDP-UHFFFAOYSA-N 1 2 345.790 0.222 20 30 ECEDLO Cc1nc(CN2CC[NH+](C[C@@H](O)CC3(C#N)CCOCC3)CC2)n[nH]1 ZINC000599338304 439440842 /nfs/dbraw/zinc/44/08/42/439440842.db2.gz CKIUAVRNOZSVHQ-HNNXBMFYSA-N 1 2 348.451 0.302 20 30 ECEDLO C#C[C@H]1COCCN1C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000491754702 439442003 /nfs/dbraw/zinc/44/20/03/439442003.db2.gz UZEICGQOOVENEV-INIZCTEOSA-N 1 2 344.411 0.923 20 30 ECEDLO C#C[C@H]1COCCN1C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000491754702 439442008 /nfs/dbraw/zinc/44/20/08/439442008.db2.gz UZEICGQOOVENEV-INIZCTEOSA-N 1 2 344.411 0.923 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000599500130 439492452 /nfs/dbraw/zinc/49/24/52/439492452.db2.gz PVNAUGKZTFDDHO-CYBMUJFWSA-N 1 2 330.454 0.262 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000599633370 439521265 /nfs/dbraw/zinc/52/12/65/439521265.db2.gz SDQNUKFTJLRLQY-TUAOUCFPSA-N 1 2 329.422 0.038 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000599633370 439521270 /nfs/dbraw/zinc/52/12/70/439521270.db2.gz SDQNUKFTJLRLQY-TUAOUCFPSA-N 1 2 329.422 0.038 20 30 ECEDLO CN(C)C[C@](C)(C#N)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000571734510 439525412 /nfs/dbraw/zinc/52/54/12/439525412.db2.gz MUOVUORPBPGMLL-AEFFLSMTSA-N 1 2 330.432 0.847 20 30 ECEDLO CN(C)C[C@](C)(C#N)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000571734510 439525417 /nfs/dbraw/zinc/52/54/17/439525417.db2.gz MUOVUORPBPGMLL-AEFFLSMTSA-N 1 2 330.432 0.847 20 30 ECEDLO N#CC1(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCC1 ZINC000584043533 439543668 /nfs/dbraw/zinc/54/36/68/439543668.db2.gz IREMWDUKZHVVLL-UHFFFAOYSA-N 1 2 343.435 0.592 20 30 ECEDLO Cc1cnc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)nc1 ZINC000584183469 439562210 /nfs/dbraw/zinc/56/22/10/439562210.db2.gz JIQGOGCUFCEACL-UHFFFAOYSA-N 1 2 325.372 0.699 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CC(=O)OC)C1CCOCC1 ZINC000531588444 439511985 /nfs/dbraw/zinc/51/19/85/439511985.db2.gz XLWSTCKWBBYCJU-CYBMUJFWSA-N 1 2 325.409 0.649 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CC(=O)OC)C1CCOCC1 ZINC000531588444 439511991 /nfs/dbraw/zinc/51/19/91/439511991.db2.gz XLWSTCKWBBYCJU-CYBMUJFWSA-N 1 2 325.409 0.649 20 30 ECEDLO CC1CC(C#N)(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000532323634 439516491 /nfs/dbraw/zinc/51/64/91/439516491.db2.gz KQIDGZWHUWNEJE-UHFFFAOYSA-N 1 2 332.448 0.987 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471276 439566077 /nfs/dbraw/zinc/56/60/77/439566077.db2.gz AEZBKVVGNOFQMU-RFQIPJPRSA-N 1 2 332.470 0.410 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471276 439566081 /nfs/dbraw/zinc/56/60/81/439566081.db2.gz AEZBKVVGNOFQMU-RFQIPJPRSA-N 1 2 332.470 0.410 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000610011982 439596783 /nfs/dbraw/zinc/59/67/83/439596783.db2.gz FPDKSQCKFAMANX-ZDUSSCGKSA-N 1 2 330.392 0.121 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000610011982 439596788 /nfs/dbraw/zinc/59/67/88/439596788.db2.gz FPDKSQCKFAMANX-ZDUSSCGKSA-N 1 2 330.392 0.121 20 30 ECEDLO CO[C@H](Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O)[C@H]1CCOC1 ZINC000594897194 439641038 /nfs/dbraw/zinc/64/10/38/439641038.db2.gz CAJXFQLQHZSUNL-DOTOQJQBSA-N 1 2 347.415 0.604 20 30 ECEDLO N#Cc1cc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)ccn1 ZINC000594901887 439642273 /nfs/dbraw/zinc/64/22/73/439642273.db2.gz PHZFWFGRIXBHLT-UHFFFAOYSA-N 1 2 335.367 0.867 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2nnc(C3CC3)[nH]2)nc1 ZINC000573558290 439652466 /nfs/dbraw/zinc/65/24/66/439652466.db2.gz QWCYGEDWISIYAU-UHFFFAOYSA-N 1 2 332.389 0.512 20 30 ECEDLO N#Cc1ccc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c(F)c1 ZINC000595150400 439662554 /nfs/dbraw/zinc/66/25/54/439662554.db2.gz FZHLSBOTDIABPF-CYBMUJFWSA-N 1 2 346.362 0.569 20 30 ECEDLO Cn1cc(C#N)c(=NC(=O)NCCNc2ccc3ccccc3[nH+]2)[nH]1 ZINC000610563232 439626039 /nfs/dbraw/zinc/62/60/39/439626039.db2.gz WVOIXXBTYCZGHG-UHFFFAOYSA-N 1 2 335.371 0.917 20 30 ECEDLO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCN(CCC#N)CC1 ZINC000611176202 439677977 /nfs/dbraw/zinc/67/79/77/439677977.db2.gz VQKPILOXNIJHII-SNVBAGLBSA-N 1 2 335.330 0.294 20 30 ECEDLO N#CCCN1CC[NH+](CC(=O)NC(=O)NCc2cccs2)CC1 ZINC000611174006 439678289 /nfs/dbraw/zinc/67/82/89/439678289.db2.gz UPSOTZOTEFQLBI-UHFFFAOYSA-N 1 2 335.433 0.605 20 30 ECEDLO CS(=O)(=O)N1CC[NH+](CCNc2ccc(F)cc2C#N)CC1 ZINC000611370529 439694843 /nfs/dbraw/zinc/69/48/43/439694843.db2.gz WWJCVTDCMTYFEB-UHFFFAOYSA-N 1 2 326.397 0.686 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000616028113 439810944 /nfs/dbraw/zinc/81/09/44/439810944.db2.gz UPBVQEGGFCEESE-LZWOXQAQSA-N 1 2 334.372 0.101 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000616028113 439810945 /nfs/dbraw/zinc/81/09/45/439810945.db2.gz UPBVQEGGFCEESE-LZWOXQAQSA-N 1 2 334.372 0.101 20 30 ECEDLO C=CCCn1cc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)nn1 ZINC000653574090 440209677 /nfs/dbraw/zinc/20/96/77/440209677.db2.gz BWUXUBXRXVDSKL-UHFFFAOYSA-N 1 2 327.454 0.710 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(S(N)(=O)=O)s2)C1=O ZINC000639132469 440680761 /nfs/dbraw/zinc/68/07/61/440680761.db2.gz ORVOPPPUKFBHBV-LLVKDONJSA-N 1 2 329.447 0.614 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(S(N)(=O)=O)s2)C1=O ZINC000639132469 440680767 /nfs/dbraw/zinc/68/07/67/440680767.db2.gz ORVOPPPUKFBHBV-LLVKDONJSA-N 1 2 329.447 0.614 20 30 ECEDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)NCC#CCO)CC1 ZINC000640029961 440856877 /nfs/dbraw/zinc/85/68/77/440856877.db2.gz ONBHTGXRJKVZRG-UHFFFAOYSA-N 1 2 344.415 0.468 20 30 ECEDLO C=CCCn1cc(C[NH2+]CCNS(=O)(=O)c2cccnc2)nn1 ZINC000657414341 441006071 /nfs/dbraw/zinc/00/60/71/441006071.db2.gz XJTQXWUELSYMJD-UHFFFAOYSA-N 1 2 336.421 0.317 20 30 ECEDLO COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000546712057 322120331 /nfs/dbraw/zinc/12/03/31/322120331.db2.gz UKPSUOKVJRROQU-NSHDSACASA-N 1 2 327.344 0.907 20 30 ECEDLO N#Cc1cc(F)cc(C2(C(=O)NC[C@@H]3C[NH+]4CCN3CC4)CC2)c1 ZINC000560598748 322247386 /nfs/dbraw/zinc/24/73/86/322247386.db2.gz IYZRMXXIZRIDTG-MRXNPFEDSA-N 1 2 328.391 0.845 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CNC(=O)C3)CC2)cc1 ZINC000560862916 322251031 /nfs/dbraw/zinc/25/10/31/322251031.db2.gz WLGHANNNBCAMPC-INIZCTEOSA-N 1 2 341.415 0.522 20 30 ECEDLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000563446387 322319930 /nfs/dbraw/zinc/31/99/30/322319930.db2.gz SCJMNFKHOXDGIG-HNNXBMFYSA-N 1 2 345.428 0.768 20 30 ECEDLO N#Cc1c2c(cnc1N1CC[NH+](CC(=O)NC3CC3)CC1)CCC2 ZINC000570509952 322689873 /nfs/dbraw/zinc/68/98/73/322689873.db2.gz PQEXWDDUOXPVEB-UHFFFAOYSA-N 1 2 325.416 0.843 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000171112254 533859507 /nfs/dbraw/zinc/85/95/07/533859507.db2.gz KOBNHXQIKCYWRA-ZDUSSCGKSA-N 1 2 330.388 0.125 20 30 ECEDLO C#CCCCCNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000155013224 526699224 /nfs/dbraw/zinc/69/92/24/526699224.db2.gz PLBNFTWICUBZKC-UHFFFAOYSA-N 1 2 341.419 0.998 20 30 ECEDLO C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000174686898 527107493 /nfs/dbraw/zinc/10/74/93/527107493.db2.gz YMJBHGQQEIMIJT-UHFFFAOYSA-N 1 2 333.363 0.940 20 30 ECEDLO CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000170846557 529131482 /nfs/dbraw/zinc/13/14/82/529131482.db2.gz JXWVTUGPAOGCDV-UHFFFAOYSA-N 1 2 348.378 0.863 20 30 ECEDLO CC1(C)COCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000170846557 529131484 /nfs/dbraw/zinc/13/14/84/529131484.db2.gz JXWVTUGPAOGCDV-UHFFFAOYSA-N 1 2 348.378 0.863 20 30 ECEDLO O=C(NCC[NH+]1CCOCC1)N1CCC(C(=O)N2CCCC2)CC1 ZINC000328767702 546005980 /nfs/dbraw/zinc/00/59/80/546005980.db2.gz HTNPGJRHGHUYKE-UHFFFAOYSA-N 1 2 338.452 0.567 20 30 ECEDLO CCNC(=O)C[NH+]1CCN(C([O-])=[NH+][C@@H]2CCc3nc(C)nn3C2)CC1 ZINC000328830790 546006757 /nfs/dbraw/zinc/00/67/57/546006757.db2.gz UQSFGWLMPAWHPS-CYBMUJFWSA-N 1 2 349.439 0.409 20 30 ECEDLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@@]1(O)CCSC1 ZINC000328990237 546011154 /nfs/dbraw/zinc/01/11/54/546011154.db2.gz VEKCNXXXGPXPEJ-OAHLLOKOSA-N 1 2 337.449 0.423 20 30 ECEDLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000329389901 546022778 /nfs/dbraw/zinc/02/27/78/546022778.db2.gz SBZLNIRVOHYKGY-GFCCVEGCSA-N 1 2 335.360 0.665 20 30 ECEDLO O=C(NCc1nnc2n1CCC2)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000329601330 546028414 /nfs/dbraw/zinc/02/84/14/546028414.db2.gz FCOJASUVQNXDIP-CYBMUJFWSA-N 1 2 334.424 0.435 20 30 ECEDLO O=C(CNC(=O)c1cccc(O)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000329999883 546036728 /nfs/dbraw/zinc/03/67/28/546036728.db2.gz VNFIRAMMYRSWLK-CQSZACIVSA-N 1 2 333.388 0.630 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000457660155 546244678 /nfs/dbraw/zinc/24/46/78/546244678.db2.gz HEJNHILFKPAKRO-HOTGVXAUSA-N 1 2 326.437 0.511 20 30 ECEDLO CS(=O)(=O)[C@H]1CC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000619723577 546364545 /nfs/dbraw/zinc/36/45/45/546364545.db2.gz OLAKOORYAFQMHJ-HOCLYGCPSA-N 1 2 338.429 0.611 20 30 ECEDLO CS(=O)(=O)[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000619723577 546364550 /nfs/dbraw/zinc/36/45/50/546364550.db2.gz OLAKOORYAFQMHJ-HOCLYGCPSA-N 1 2 338.429 0.611 20 30 ECEDLO C=CCn1c(-c2cn[nH]c2)nnc1N1CC[NH+](CC(=O)NCC)CC1 ZINC000624844797 546981054 /nfs/dbraw/zinc/98/10/54/546981054.db2.gz JJFWBBYADNKHGY-UHFFFAOYSA-N 1 2 344.423 0.112 20 30 ECEDLO C=CCn1c(C2CCC2)nnc1N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000669802711 547936241 /nfs/dbraw/zinc/93/62/41/547936241.db2.gz OAMXXHOTPBTGLU-UHFFFAOYSA-N 1 2 332.452 0.942 20 30 ECEDLO COCC#CC[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000677818584 548958027 /nfs/dbraw/zinc/95/80/27/548958027.db2.gz CPTNOCBBGGCYHF-UHFFFAOYSA-N 1 2 326.404 0.430 20 30 ECEDLO C=C(C)[C@@H](CO)[N@@H+]1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000678050268 548991920 /nfs/dbraw/zinc/99/19/20/548991920.db2.gz WUTZBTJFSQXECM-CZUORRHYSA-N 1 2 330.384 0.920 20 30 ECEDLO C=C(C)[C@@H](CO)[N@H+]1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000678050268 548991923 /nfs/dbraw/zinc/99/19/23/548991923.db2.gz WUTZBTJFSQXECM-CZUORRHYSA-N 1 2 330.384 0.920 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)nc1 ZINC001078030015 782174687 /nfs/dbraw/zinc/17/46/87/782174687.db2.gz CUZSUBDWJUCBEC-RTBURBONSA-N 1 2 346.390 0.910 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)nc1 ZINC001078030015 782174694 /nfs/dbraw/zinc/17/46/94/782174694.db2.gz CUZSUBDWJUCBEC-RTBURBONSA-N 1 2 346.390 0.910 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cn(C)nc3C)C[C@H]2O)cn1 ZINC001078032405 782180051 /nfs/dbraw/zinc/18/00/51/782180051.db2.gz MKCBMWXOUAKSNG-IAGOWNOFSA-N 1 2 339.399 0.080 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cn(C)nc3C)C[C@H]2O)cn1 ZINC001078032405 782180056 /nfs/dbraw/zinc/18/00/56/782180056.db2.gz MKCBMWXOUAKSNG-IAGOWNOFSA-N 1 2 339.399 0.080 20 30 ECEDLO COCC(C)N=Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000750922433 579360501 /nfs/dbraw/zinc/36/05/01/579360501.db2.gz NJTJGQROSMEJFY-UHFFFAOYSA-N 1 2 341.437 0.452 20 30 ECEDLO N#CCSCC(=O)OCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000750733243 579357904 /nfs/dbraw/zinc/35/79/04/579357904.db2.gz KUNMGVZFRXZGMN-UHFFFAOYSA-N 1 2 325.434 0.731 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)COc1cccc(C#N)c1 ZINC000751431262 579367862 /nfs/dbraw/zinc/36/78/62/579367862.db2.gz NMLHMBGRNDMLMR-HNNXBMFYSA-N 1 2 333.388 0.089 20 30 ECEDLO Cn1cc[nH+]c1CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000758452797 579473324 /nfs/dbraw/zinc/47/33/24/579473324.db2.gz CPRCCSYMYMYODG-RYUDHWBXSA-N 1 2 348.407 0.978 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000728573052 578289783 /nfs/dbraw/zinc/28/97/83/578289783.db2.gz JOJAXQAYKNKAAI-UHFFFAOYSA-N 1 2 339.399 0.202 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cc2cccc(NS(C)(=O)=O)c2)CC1 ZINC000730292803 578304829 /nfs/dbraw/zinc/30/48/29/578304829.db2.gz GARVQPHLCIUSGH-UHFFFAOYSA-N 1 2 335.429 0.378 20 30 ECEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N=NC3CCOC3)nc2)CC1 ZINC000731923833 578317575 /nfs/dbraw/zinc/31/75/75/578317575.db2.gz GOLMLHVKCFUWMV-UHFFFAOYSA-N 1 2 339.421 0.206 20 30 ECEDLO C[C@@H]1CN(c2ccccc2C=[NH+]NC(=S)NCC(N)=O)CCO1 ZINC000731929607 578317837 /nfs/dbraw/zinc/31/78/37/578317837.db2.gz IMJQWCKRYFXDHS-LLVKDONJSA-N 1 2 335.433 0.195 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732812869 578330035 /nfs/dbraw/zinc/33/00/35/578330035.db2.gz IAXUATYRJCEFBY-QWRGUYRKSA-N 1 2 334.342 0.842 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732812869 578330036 /nfs/dbraw/zinc/33/00/36/578330036.db2.gz IAXUATYRJCEFBY-QWRGUYRKSA-N 1 2 334.342 0.842 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2ccc(N3CCNC3=O)c(C)c2)CC1 ZINC000733161268 578333125 /nfs/dbraw/zinc/33/31/25/578333125.db2.gz OJADWBUTKKPDHN-UHFFFAOYSA-N 1 2 326.400 0.916 20 30 ECEDLO Cn1cc[nH+]c1CN1CCN(Cn2nc(CC#N)n(C)c2=S)CC1 ZINC000794625975 578596081 /nfs/dbraw/zinc/59/60/81/578596081.db2.gz NFZXYPZXLKYELU-UHFFFAOYSA-N 1 2 346.464 0.526 20 30 ECEDLO C#CCC[C@H](O)CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000798347973 578644519 /nfs/dbraw/zinc/64/45/19/578644519.db2.gz NLWOMVUVIZOCOP-ROUUACIJSA-N 1 2 345.443 0.961 20 30 ECEDLO C#CCC[C@H](O)CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000798347973 578644520 /nfs/dbraw/zinc/64/45/20/578644520.db2.gz NLWOMVUVIZOCOP-ROUUACIJSA-N 1 2 345.443 0.961 20 30 ECEDLO N#C[C@@H]1CN(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000800021843 578672896 /nfs/dbraw/zinc/67/28/96/578672896.db2.gz ZGPXXNCRRWSZPY-OAHLLOKOSA-N 1 2 347.400 0.431 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccccc2SC)CC1 ZINC000781339017 578708311 /nfs/dbraw/zinc/70/83/11/578708311.db2.gz ZCEZERFYSXUGSL-UHFFFAOYSA-N 1 2 339.486 0.994 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000783004992 578737253 /nfs/dbraw/zinc/73/72/53/578737253.db2.gz SVVHZCQLFWZIOH-UHFFFAOYSA-N 1 2 328.438 0.939 20 30 ECEDLO CC(C)(C)OC(=O)N1CC[NH+](CCNC(=O)NCCC#N)CC1 ZINC000787359501 578805617 /nfs/dbraw/zinc/80/56/17/578805617.db2.gz LBEWHPRETKUIDV-UHFFFAOYSA-N 1 2 325.413 0.752 20 30 ECEDLO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)n2ncc(C#N)c2N)CC1 ZINC000792633282 578912102 /nfs/dbraw/zinc/91/21/02/578912102.db2.gz SANBZQBRSGNCQB-UHFFFAOYSA-N 1 2 348.407 0.920 20 30 ECEDLO Cc1cc(NC(=O)NCCNC(=O)C2N=CC=CC2=O)c(C)c[nH+]1 ZINC000767943154 579119124 /nfs/dbraw/zinc/11/91/24/579119124.db2.gz MOJBLAQWDAKCGY-PFONDFGASA-N 1 2 329.360 0.768 20 30 ECEDLO C[C@@H](O)c1ncc(C=NNC(=S)NCC[NH+]2CCOCC2)s1 ZINC000773006136 579218544 /nfs/dbraw/zinc/21/85/44/579218544.db2.gz QNGPAKVWXNVCGG-SNVBAGLBSA-N 1 2 343.478 0.327 20 30 ECEDLO CCOCCCNC(=O)[C@H](C#N)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000773972643 579237691 /nfs/dbraw/zinc/23/76/91/579237691.db2.gz ZDOVIKRLUOZKFE-QWHCGFSZSA-N 1 2 327.450 0.675 20 30 ECEDLO CCOCCCNC(=O)[C@H](C#N)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000773972643 579237692 /nfs/dbraw/zinc/23/76/92/579237692.db2.gz ZDOVIKRLUOZKFE-QWHCGFSZSA-N 1 2 327.450 0.675 20 30 ECEDLO C#CCOc1cccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000778948834 579312698 /nfs/dbraw/zinc/31/26/98/579312698.db2.gz XNAGNKNQSVFWBV-AWEZNQCLSA-N 1 2 345.399 0.162 20 30 ECEDLO C#CCOc1cccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000778948834 579312699 /nfs/dbraw/zinc/31/26/99/579312699.db2.gz XNAGNKNQSVFWBV-AWEZNQCLSA-N 1 2 345.399 0.162 20 30 ECEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000760892735 579517040 /nfs/dbraw/zinc/51/70/40/579517040.db2.gz WNVPPFQZNWWGAQ-ZDUSSCGKSA-N 1 2 342.355 0.446 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000761026379 579519586 /nfs/dbraw/zinc/51/95/86/579519586.db2.gz YYEXIFSLMUWTDQ-UHFFFAOYSA-N 1 2 333.457 0.761 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](CCOc2cccc(F)c2)CC1 ZINC000761031906 579519947 /nfs/dbraw/zinc/51/99/47/579519947.db2.gz DXZBCCZKJPKPOU-UHFFFAOYSA-N 1 2 341.408 0.290 20 30 ECEDLO N#Cc1c[nH]c(C(=O)OCC(=O)N2CC[NH+](Cc3ccco3)CC2)c1 ZINC000748225760 579857433 /nfs/dbraw/zinc/85/74/33/579857433.db2.gz HPDYDJDETIUHOQ-UHFFFAOYSA-N 1 2 342.355 0.981 20 30 ECEDLO O=C(CCCN=C1NS(=O)(=O)c2ccccc21)NCc1c[nH+]c[nH]1 ZINC000748322485 579857645 /nfs/dbraw/zinc/85/76/45/579857645.db2.gz YSSWXMJLNHTORS-UHFFFAOYSA-N 1 2 347.400 0.545 20 30 ECEDLO O=C(CCCN=C1NS(=O)(=O)c2ccccc21)NCc1c[nH]c[nH+]1 ZINC000748322485 579857646 /nfs/dbraw/zinc/85/76/46/579857646.db2.gz YSSWXMJLNHTORS-UHFFFAOYSA-N 1 2 347.400 0.545 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000837866651 588963681 /nfs/dbraw/zinc/96/36/81/588963681.db2.gz UZHCPMPHKUDGTD-INIZCTEOSA-N 1 2 335.448 0.082 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)nc1 ZINC000837863370 588963814 /nfs/dbraw/zinc/96/38/14/588963814.db2.gz GEEDLOOIXWVCPZ-UHFFFAOYSA-N 1 2 329.400 0.674 20 30 ECEDLO C#CC[C@H](Cc1ccccc1)NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000867262055 588988315 /nfs/dbraw/zinc/98/83/15/588988315.db2.gz WCYIOQCXSNGXAN-SJORKVTESA-N 1 2 336.457 0.871 20 30 ECEDLO C#CC[C@H](Cc1ccccc1)NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000867262055 588988317 /nfs/dbraw/zinc/98/83/17/588988317.db2.gz WCYIOQCXSNGXAN-SJORKVTESA-N 1 2 336.457 0.871 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2c(C(F)F)c(C)nn2C)CC1 ZINC000841479490 588989438 /nfs/dbraw/zinc/98/94/38/588989438.db2.gz QALRGNOVSCSVJK-UHFFFAOYSA-N 1 2 346.403 0.996 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(N(C)C)cc2)C1 ZINC000891605278 586181243 /nfs/dbraw/zinc/18/12/43/586181243.db2.gz AYRFMFSPHIMRPD-HNNXBMFYSA-N 1 2 328.416 0.905 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(N(C)C)cc2)C1 ZINC000891605278 586181244 /nfs/dbraw/zinc/18/12/44/586181244.db2.gz AYRFMFSPHIMRPD-HNNXBMFYSA-N 1 2 328.416 0.905 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC)c(OC)c2)C1 ZINC000891605282 586181283 /nfs/dbraw/zinc/18/12/83/586181283.db2.gz BDUKPZZSCHGMIC-AWEZNQCLSA-N 1 2 345.399 0.856 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC)c(OC)c2)C1 ZINC000891605282 586181285 /nfs/dbraw/zinc/18/12/85/586181285.db2.gz BDUKPZZSCHGMIC-AWEZNQCLSA-N 1 2 345.399 0.856 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC2(CC1)CC(=O)C=CO2 ZINC000891895679 586203969 /nfs/dbraw/zinc/20/39/69/586203969.db2.gz NFYOXPREGZNKGH-AWEZNQCLSA-N 1 2 337.420 0.754 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cc(C)c(O)c(C)c2)CC1 ZINC000895922702 586213236 /nfs/dbraw/zinc/21/32/36/586213236.db2.gz UDSYQGOPMCROCH-UHFFFAOYSA-N 1 2 337.445 0.594 20 30 ECEDLO Cc1cc(F)c(C#N)c(N2CC[NH+](CCS(N)(=O)=O)CC2)c1 ZINC000892722113 586286138 /nfs/dbraw/zinc/28/61/38/586286138.db2.gz WXEMJPHZJVDHPL-UHFFFAOYSA-N 1 2 326.397 0.416 20 30 ECEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCN3[C@H](CNS3(=O)=O)C2)cc1 ZINC000897283437 586294327 /nfs/dbraw/zinc/29/43/27/586294327.db2.gz LXWXOMLBUYRSOW-GXTWGEPZSA-N 1 2 336.417 0.312 20 30 ECEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCN3[C@H](CNS3(=O)=O)C2)cc1 ZINC000897283437 586294329 /nfs/dbraw/zinc/29/43/29/586294329.db2.gz LXWXOMLBUYRSOW-GXTWGEPZSA-N 1 2 336.417 0.312 20 30 ECEDLO C=CCOC[C@@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C(=O)OC ZINC000897632635 586353131 /nfs/dbraw/zinc/35/31/31/586353131.db2.gz SAQRFEZBJYHDSQ-KGLIPLIRSA-N 1 2 336.392 0.650 20 30 ECEDLO C=CCOC[C@@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C(=O)OC ZINC000897632635 586353134 /nfs/dbraw/zinc/35/31/34/586353134.db2.gz SAQRFEZBJYHDSQ-KGLIPLIRSA-N 1 2 336.392 0.650 20 30 ECEDLO C=CCOC[C@@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1)C(=O)OC ZINC000897632635 586353137 /nfs/dbraw/zinc/35/31/37/586353137.db2.gz SAQRFEZBJYHDSQ-KGLIPLIRSA-N 1 2 336.392 0.650 20 30 ECEDLO C=CCOC[C@@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1)C(=O)OC ZINC000897632635 586353140 /nfs/dbraw/zinc/35/31/40/586353140.db2.gz SAQRFEZBJYHDSQ-KGLIPLIRSA-N 1 2 336.392 0.650 20 30 ECEDLO CN1CCO[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000899967827 586515467 /nfs/dbraw/zinc/51/54/67/586515467.db2.gz XKFGRNUVGJPABQ-MRXNPFEDSA-N 1 2 342.399 0.060 20 30 ECEDLO Cn1cc(C=NNC(=S)NCC[NH+]2CCOCC2)c(C2CC2)n1 ZINC000901129637 586695673 /nfs/dbraw/zinc/69/56/73/586695673.db2.gz FSYICGXLTCWTCF-UHFFFAOYSA-N 1 2 336.465 0.428 20 30 ECEDLO C#C[C@@H](NC(=O)c1cccn1CC[NH+]1CCOCC1)[C@H]1CCCO1 ZINC000907489343 586723214 /nfs/dbraw/zinc/72/32/14/586723214.db2.gz YAYDWQBKTJAAAH-NVXWUHKLSA-N 1 2 331.416 0.731 20 30 ECEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC000757995825 586895432 /nfs/dbraw/zinc/89/54/32/586895432.db2.gz OQEMHUTWMJXBOP-CHWSQXEVSA-N 1 2 348.407 0.941 20 30 ECEDLO C=CC[C@H](NC(=O)C(=O)N1CC[NH+](CCOC)CC1)c1ccncc1 ZINC000805809562 586940394 /nfs/dbraw/zinc/94/03/94/586940394.db2.gz UMGURDDAHQXYGK-INIZCTEOSA-N 1 2 346.431 0.606 20 30 ECEDLO C[C@@H](OC(=O)c1ccc(C#N)cc1)C(=O)NCC[NH+]1CCOCC1 ZINC000805969417 586948774 /nfs/dbraw/zinc/94/87/74/586948774.db2.gz MTSGUDOFOCONAA-CYBMUJFWSA-N 1 2 331.372 0.552 20 30 ECEDLO Cc1cc(C#N)cc(C)c1CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000906930057 586995085 /nfs/dbraw/zinc/99/50/85/586995085.db2.gz VTQICQYJZYUDOT-QGZVFWFLSA-N 1 2 345.443 0.869 20 30 ECEDLO C[C@@H]1C[N@@H+](CCN(C)S(=O)(=O)c2ccc(C#N)cn2)C[C@H](C)O1 ZINC000907162745 587018757 /nfs/dbraw/zinc/01/87/57/587018757.db2.gz HGRDOIQQFWGQEL-BETUJISGSA-N 1 2 338.433 0.683 20 30 ECEDLO C[C@@H]1C[N@H+](CCN(C)S(=O)(=O)c2ccc(C#N)cn2)C[C@H](C)O1 ZINC000907162745 587018759 /nfs/dbraw/zinc/01/87/59/587018759.db2.gz HGRDOIQQFWGQEL-BETUJISGSA-N 1 2 338.433 0.683 20 30 ECEDLO C#CC[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000844002394 589087939 /nfs/dbraw/zinc/08/79/39/589087939.db2.gz WIEGFGJEOSXGDG-IRXDYDNUSA-N 1 2 347.459 0.429 20 30 ECEDLO C#CCCCNC(=O)C(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000806914441 587111558 /nfs/dbraw/zinc/11/15/58/587111558.db2.gz VCDYCLNSPRXTKC-UHFFFAOYSA-N 1 2 336.461 0.542 20 30 ECEDLO C=C(Br)CNC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000806986485 587113797 /nfs/dbraw/zinc/11/37/97/587113797.db2.gz BHJOUSWXQCKINB-UHFFFAOYSA-N 1 2 337.177 0.975 20 30 ECEDLO CCO[C@@H]1CC(=NNC(=S)NCC[NH+]2CCOCC2)[C@H]1SC ZINC000807947259 587140140 /nfs/dbraw/zinc/14/01/40/587140140.db2.gz NDWSIKTWBHIWKM-CHWSQXEVSA-N 1 2 346.522 0.679 20 30 ECEDLO C#Cc1ccccc1CC(=O)O[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000810836485 587205784 /nfs/dbraw/zinc/20/57/84/587205784.db2.gz YTPRIATVGGYWOM-OAHLLOKOSA-N 1 2 344.411 0.591 20 30 ECEDLO C#C[C@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cn1)[C@H]1CCCO1 ZINC000811185898 587213962 /nfs/dbraw/zinc/21/39/62/587213962.db2.gz WTRHJLLWNXJQDJ-DOTOQJQBSA-N 1 2 329.400 0.824 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc2c(cc1O)n(C)c(=O)n2C ZINC000812384669 587236577 /nfs/dbraw/zinc/23/65/77/587236577.db2.gz WJHPUPHPVROKOG-LBPRGKRZSA-N 1 2 328.372 0.619 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc2c(cc1O)n(C)c(=O)n2C ZINC000812384669 587236579 /nfs/dbraw/zinc/23/65/79/587236579.db2.gz WJHPUPHPVROKOG-LBPRGKRZSA-N 1 2 328.372 0.619 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C(=O)OCc1ccccc1)[C@H](C)O ZINC000817228899 587337017 /nfs/dbraw/zinc/33/70/17/587337017.db2.gz JYCCGAKKMNZGRV-XIRDDKMYSA-N 1 2 344.411 0.693 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C(=O)OCc1ccccc1)[C@H](C)O ZINC000817228899 587337018 /nfs/dbraw/zinc/33/70/18/587337018.db2.gz JYCCGAKKMNZGRV-XIRDDKMYSA-N 1 2 344.411 0.693 20 30 ECEDLO CO[C@H]1C[C@H]2CC(=NNC(=S)NCC[NH+]3CCOCC3)C[C@H]2C1 ZINC000819806837 587492072 /nfs/dbraw/zinc/49/20/72/587492072.db2.gz YEOIGRPDNNWOFC-NHAGDIPZSA-N 1 2 340.493 0.974 20 30 ECEDLO CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000820620989 587545184 /nfs/dbraw/zinc/54/51/84/587545184.db2.gz ZTMVRZRAPQLLCJ-RHSMWYFYSA-N 1 2 336.436 0.618 20 30 ECEDLO CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000820620989 587545186 /nfs/dbraw/zinc/54/51/86/587545186.db2.gz ZTMVRZRAPQLLCJ-RHSMWYFYSA-N 1 2 336.436 0.618 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000823314275 587715367 /nfs/dbraw/zinc/71/53/67/587715367.db2.gz GHNVFUHGORJBFL-INIZCTEOSA-N 1 2 349.475 0.865 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2OC(C)(C)C)CC1 ZINC000826549210 588069096 /nfs/dbraw/zinc/06/90/96/588069096.db2.gz BJJZIHKCWZRECW-HUUCEWRRSA-N 1 2 335.448 0.474 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2OC(C)(C)C)CC1 ZINC000826549210 588069097 /nfs/dbraw/zinc/06/90/97/588069097.db2.gz BJJZIHKCWZRECW-HUUCEWRRSA-N 1 2 335.448 0.474 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)c2nc(C)cs2)CC1 ZINC000826549368 588069216 /nfs/dbraw/zinc/06/92/16/588069216.db2.gz FGAPGWCBUMZMSZ-CQSZACIVSA-N 1 2 348.472 0.839 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)c2nc(C)cs2)CC1 ZINC000826549368 588069218 /nfs/dbraw/zinc/06/92/18/588069218.db2.gz FGAPGWCBUMZMSZ-CQSZACIVSA-N 1 2 348.472 0.839 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H](C[C@@H]2COCCO2)C(F)(F)F)CC1 ZINC000827526847 588125468 /nfs/dbraw/zinc/12/54/68/588125468.db2.gz QCJYALFZPJGTIT-CHWSQXEVSA-N 1 2 334.338 0.748 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000828529263 588187617 /nfs/dbraw/zinc/18/76/17/588187617.db2.gz JMLIVOBAEMKCFE-NSHDSACASA-N 1 2 340.276 0.656 20 30 ECEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000829514362 588328009 /nfs/dbraw/zinc/32/80/09/588328009.db2.gz XVDCQPCTXTTYCC-MRXNPFEDSA-N 1 2 328.416 0.598 20 30 ECEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000829514362 588328011 /nfs/dbraw/zinc/32/80/11/588328011.db2.gz XVDCQPCTXTTYCC-MRXNPFEDSA-N 1 2 328.416 0.598 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCOc3ccc(OC)cc3C2)CC1 ZINC000831768696 588448636 /nfs/dbraw/zinc/44/86/36/588448636.db2.gz BFMJENYZMSHKMZ-UHFFFAOYSA-N 1 2 343.427 0.667 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844879079 589124402 /nfs/dbraw/zinc/12/44/02/589124402.db2.gz ACTHCQIDACWMCT-WMLDXEAASA-N 1 2 346.431 0.954 20 30 ECEDLO C#CCOc1ccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000108612096 589334747 /nfs/dbraw/zinc/33/47/47/589334747.db2.gz RPPFNMCSVOQMCW-UHFFFAOYSA-N 1 2 327.384 0.944 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)C1CCOCC1 ZINC000850688005 589379475 /nfs/dbraw/zinc/37/94/75/589379475.db2.gz MLUCCVODPADRCQ-CQSZACIVSA-N 1 2 326.356 0.817 20 30 ECEDLO CO[C@@]1(CO)CCC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000852410512 589494713 /nfs/dbraw/zinc/49/47/13/589494713.db2.gz CEEQWPQQLZXTNU-SFHVURJKSA-N 1 2 342.399 0.893 20 30 ECEDLO CO[C@@]1(CO)CCC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000852410512 589494714 /nfs/dbraw/zinc/49/47/14/589494714.db2.gz CEEQWPQQLZXTNU-SFHVURJKSA-N 1 2 342.399 0.893 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=C[C@@H]1CC1(Cl)Cl ZINC000853263685 589539271 /nfs/dbraw/zinc/53/92/71/589539271.db2.gz WVNOMRUSJJWGII-VIFPVBQESA-N 1 2 325.265 0.962 20 30 ECEDLO CCN1CC[C@H](ON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)C1=O ZINC000853657179 589553966 /nfs/dbraw/zinc/55/39/66/589553966.db2.gz APUUCGSJPMTABN-INIZCTEOSA-N 1 2 346.431 0.777 20 30 ECEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1cccc(S(N)(=O)=O)c1C#N ZINC000853800922 589559515 /nfs/dbraw/zinc/55/95/15/589559515.db2.gz ZOTOYIYHOZOLKW-NEPJUHHUSA-N 1 2 338.433 0.727 20 30 ECEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1cccc(S(N)(=O)=O)c1C#N ZINC000853800922 589559517 /nfs/dbraw/zinc/55/95/17/589559517.db2.gz ZOTOYIYHOZOLKW-NEPJUHHUSA-N 1 2 338.433 0.727 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2C(N)=O)CC1 ZINC000856810661 589676721 /nfs/dbraw/zinc/67/67/21/589676721.db2.gz RYTKOAXEGBCVAO-GFCCVEGCSA-N 1 2 332.379 0.185 20 30 ECEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C#N)c(OC)c1 ZINC000857183530 589689196 /nfs/dbraw/zinc/68/91/96/589689196.db2.gz HRUCJECYFSVDMV-CYBMUJFWSA-N 1 2 328.328 0.735 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000858128519 589725819 /nfs/dbraw/zinc/72/58/19/589725819.db2.gz QTXNTURKYOEPFA-HNNXBMFYSA-N 1 2 332.404 0.756 20 30 ECEDLO C=CCOCCOC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C ZINC000860423435 589771043 /nfs/dbraw/zinc/77/10/43/589771043.db2.gz QAMKMRPMDTXEIF-KBPBESRZSA-N 1 2 337.376 0.454 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000859028442 589793870 /nfs/dbraw/zinc/79/38/70/589793870.db2.gz PVVJXUMEUHMAAI-HIFRSBDPSA-N 1 2 336.436 0.019 20 30 ECEDLO C#CCCS(=O)(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000867770106 589839876 /nfs/dbraw/zinc/83/98/76/589839876.db2.gz NJFWMOZSCDMXJA-UHFFFAOYSA-N 1 2 330.450 0.735 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN[C@@]2(C(=O)OC)CCCC(C)(C)C2)CC1 ZINC000859549521 589849905 /nfs/dbraw/zinc/84/99/05/589849905.db2.gz CDSANDVPMPHRGV-IBGZPJMESA-N 1 2 349.475 0.865 20 30 ECEDLO C=CCOC[C@@H](NC(=O)Cc1cn2cc(F)ccc2[nH+]1)C(=O)OC ZINC000867968396 589865746 /nfs/dbraw/zinc/86/57/46/589865746.db2.gz BSDGCTWHCDUYMK-CYBMUJFWSA-N 1 2 335.335 0.876 20 30 ECEDLO N#CCOc1ccccc1C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870069803 589996837 /nfs/dbraw/zinc/99/68/37/589996837.db2.gz NGLUGJXQRLGBPM-OAHLLOKOSA-N 1 2 345.399 0.762 20 30 ECEDLO COc1cccc([C@H]2CN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC[NH2+]2)c1 ZINC000870153482 590003785 /nfs/dbraw/zinc/00/37/85/590003785.db2.gz QOKKVBPCGHDORF-IUODEOHRSA-N 1 2 340.387 0.892 20 30 ECEDLO N#CCc1cccc2c1CC[N@@H+]([C@@H]1CC(=O)N(CCCO)C1=O)C2 ZINC000864350091 590075993 /nfs/dbraw/zinc/07/59/93/590075993.db2.gz CVKNMNHEGVFPDU-MRXNPFEDSA-N 1 2 327.384 0.621 20 30 ECEDLO N#CCc1cccc2c1CC[N@H+]([C@@H]1CC(=O)N(CCCO)C1=O)C2 ZINC000864350091 590075995 /nfs/dbraw/zinc/07/59/95/590075995.db2.gz CVKNMNHEGVFPDU-MRXNPFEDSA-N 1 2 327.384 0.621 20 30 ECEDLO N#Cc1cccnc1N1CCN(C(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000864659465 590091594 /nfs/dbraw/zinc/09/15/94/590091594.db2.gz KWCXYRRVWNARAF-RQOWECAXSA-N 1 2 341.415 0.490 20 30 ECEDLO N#Cc1c(F)cccc1N1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000864846255 590111265 /nfs/dbraw/zinc/11/12/65/590111265.db2.gz LVMDJDPUXAWPIO-HNNXBMFYSA-N 1 2 329.335 0.803 20 30 ECEDLO CN(C)C(=O)C[NH+]1CCN(c2cc(F)c(C#N)cc2[N+](=O)[O-])CC1 ZINC000865412056 590144065 /nfs/dbraw/zinc/14/40/65/590144065.db2.gz IZEQFPUMWSNPPF-UHFFFAOYSA-N 1 2 335.339 0.816 20 30 ECEDLO N#C[C@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CCN1Cc1ccccc1 ZINC000865885972 590160951 /nfs/dbraw/zinc/16/09/51/590160951.db2.gz WAKZJICZRCUHLY-GOEBONIOSA-N 1 2 325.372 0.680 20 30 ECEDLO Cc1cc(F)c(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000873701628 590196686 /nfs/dbraw/zinc/19/66/86/590196686.db2.gz RWPZKXIPYHRXTA-LBPRGKRZSA-N 1 2 348.378 0.781 20 30 ECEDLO Cc1cc(F)c(C#N)cc1NC(=O)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000873701628 590196687 /nfs/dbraw/zinc/19/66/87/590196687.db2.gz RWPZKXIPYHRXTA-LBPRGKRZSA-N 1 2 348.378 0.781 20 30 ECEDLO C#C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cc3n(n2)CC[N@@H+](C)C3)CC1 ZINC000874371817 590236019 /nfs/dbraw/zinc/23/60/19/590236019.db2.gz AQFQSWQANZBUES-JOCQHMNTSA-N 1 2 329.404 0.575 20 30 ECEDLO C#C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cc3n(n2)CC[N@H+](C)C3)CC1 ZINC000874371817 590236021 /nfs/dbraw/zinc/23/60/21/590236021.db2.gz AQFQSWQANZBUES-JOCQHMNTSA-N 1 2 329.404 0.575 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)N2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)CC1 ZINC000874507891 590244158 /nfs/dbraw/zinc/24/41/58/590244158.db2.gz ZBYALNGJZFXYNN-CALCHBBNSA-N 1 2 338.473 0.615 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000875020016 590263048 /nfs/dbraw/zinc/26/30/48/590263048.db2.gz GBLKBVIDXFULPE-CQSZACIVSA-N 1 2 341.371 0.038 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000875108784 590271883 /nfs/dbraw/zinc/27/18/83/590271883.db2.gz MMLIKVLOOFVBMB-ZDUSSCGKSA-N 1 2 328.372 0.413 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)N1CCN(C)c2[nH+]cccc2C1)[C@@H]1CCCO1 ZINC000875323055 590292910 /nfs/dbraw/zinc/29/29/10/590292910.db2.gz FPCNFAFGZGKEKE-CABCVRRESA-N 1 2 342.399 0.157 20 30 ECEDLO COC(=O)CNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879585844 590326069 /nfs/dbraw/zinc/32/60/69/590326069.db2.gz PUJAWKNEXJPKQK-CYBMUJFWSA-N 1 2 330.388 0.358 20 30 ECEDLO C[C@H]1CN(C(=O)C[NH+]2CCN(c3ccc(C#N)cc3)CC2)CCO1 ZINC000879585153 590326453 /nfs/dbraw/zinc/32/64/53/590326453.db2.gz SYMDECJXETVHBR-HNNXBMFYSA-N 1 2 328.416 0.928 20 30 ECEDLO C[C@H]1NC(=O)N(CC[NH+]2CCN(c3ccc(F)cc3C#N)CC2)C1=O ZINC000879590501 590327142 /nfs/dbraw/zinc/32/71/42/590327142.db2.gz FSQLPAUTMFSCKA-GFCCVEGCSA-N 1 2 345.378 0.760 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1 ZINC000128280448 590375864 /nfs/dbraw/zinc/37/58/64/590375864.db2.gz YHAPVJGHGDUZNL-OAHLLOKOSA-N 1 2 341.411 0.826 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2cc(C#N)nc(C)n2)CC1 ZINC000881919675 590492362 /nfs/dbraw/zinc/49/23/62/590492362.db2.gz RTQUXIDHHJJJTH-ZDUSSCGKSA-N 1 2 346.435 0.320 20 30 ECEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000878389227 590519225 /nfs/dbraw/zinc/51/92/25/590519225.db2.gz ZMMQTFSAAZYTRP-ZIAGYGMSSA-N 1 2 346.449 0.231 20 30 ECEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000878389227 590519226 /nfs/dbraw/zinc/51/92/26/590519226.db2.gz ZMMQTFSAAZYTRP-ZIAGYGMSSA-N 1 2 346.449 0.231 20 30 ECEDLO C#CCNc1nc(N2CC[C@@H](CF)C2)nc(N2CC[C@H](CF)C2)[nH+]1 ZINC000882840336 590589510 /nfs/dbraw/zinc/58/95/10/590589510.db2.gz RFHINNVYTWQEEA-BETUJISGSA-N 1 2 336.390 0.930 20 30 ECEDLO C#CCNc1nc(N2CC[C@H](CF)C2)nc(N2CC[C@@H](CF)C2)[nH+]1 ZINC000882840336 590589511 /nfs/dbraw/zinc/58/95/11/590589511.db2.gz RFHINNVYTWQEEA-BETUJISGSA-N 1 2 336.390 0.930 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(C)c2ccc(OC)cc2OC)CC1 ZINC000132107363 590624752 /nfs/dbraw/zinc/62/47/52/590624752.db2.gz UCLNZZMTUVYVBL-UHFFFAOYSA-N 1 2 331.416 0.917 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccnc2C(=O)OC)C1 ZINC000885509604 590729136 /nfs/dbraw/zinc/72/91/36/590729136.db2.gz UTSNWIWGOKPXIJ-GFCCVEGCSA-N 1 2 337.401 0.244 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccnc2C(=O)OC)C1 ZINC000885509604 590729138 /nfs/dbraw/zinc/72/91/38/590729138.db2.gz UTSNWIWGOKPXIJ-GFCCVEGCSA-N 1 2 337.401 0.244 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000884086751 590736348 /nfs/dbraw/zinc/73/63/48/590736348.db2.gz HGJWWXGIOLNPPL-INIZCTEOSA-N 1 2 342.399 0.994 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cnc2ccnn2c1 ZINC000888916654 590796748 /nfs/dbraw/zinc/79/67/48/590796748.db2.gz GUDHTHPPVMYRGF-UHFFFAOYSA-N 1 2 343.391 0.809 20 30 ECEDLO CN([C@@]1(C#N)CCOC1)S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000886402296 590839834 /nfs/dbraw/zinc/83/98/34/590839834.db2.gz CQQQYQYRIKHMLD-MRXNPFEDSA-N 1 2 335.429 0.978 20 30 ECEDLO CN([C@@]1(C#N)CCOC1)S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000886402296 590839836 /nfs/dbraw/zinc/83/98/36/590839836.db2.gz CQQQYQYRIKHMLD-MRXNPFEDSA-N 1 2 335.429 0.978 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000948102378 611428472 /nfs/dbraw/zinc/42/84/72/611428472.db2.gz KLCCASYWSUAGCF-OLZOCXBDSA-N 1 2 329.404 0.712 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3C[C@@H]3C[C@@H]2C)CC1 ZINC000932036188 611594194 /nfs/dbraw/zinc/59/41/94/611594194.db2.gz AGRNAELPLRVQNU-LUKYLMHMSA-N 1 2 331.460 0.952 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3C[C@@H]3C[C@@H]2C)CC1 ZINC000932036188 611594196 /nfs/dbraw/zinc/59/41/96/611594196.db2.gz AGRNAELPLRVQNU-LUKYLMHMSA-N 1 2 331.460 0.952 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000932039760 611594904 /nfs/dbraw/zinc/59/49/04/611594904.db2.gz VRFQMHDDUXILAX-SJORKVTESA-N 1 2 349.475 0.721 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000932039760 611594906 /nfs/dbraw/zinc/59/49/06/611594906.db2.gz VRFQMHDDUXILAX-SJORKVTESA-N 1 2 349.475 0.721 20 30 ECEDLO N#Cc1ccc(C(=O)NC2CCN(C(=O)CCn3cc[nH+]c3)CC2)[nH]1 ZINC000947573888 611602620 /nfs/dbraw/zinc/60/26/20/611602620.db2.gz JEUNYPRGCNHBCD-UHFFFAOYSA-N 1 2 340.387 0.894 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)C(=O)C(C)(C)C)C1 ZINC000936916481 608735409 /nfs/dbraw/zinc/73/54/09/608735409.db2.gz LDHPQTIPPVMVAN-GJZGRUSLSA-N 1 2 347.459 0.759 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)C(=O)C(C)(C)C)C1 ZINC000936916481 608735412 /nfs/dbraw/zinc/73/54/12/608735412.db2.gz LDHPQTIPPVMVAN-GJZGRUSLSA-N 1 2 347.459 0.759 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000947281775 608778793 /nfs/dbraw/zinc/77/87/93/608778793.db2.gz OCHZLRFLSXEQHL-RDJZCZTQSA-N 1 2 346.431 0.972 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)c[nH]1 ZINC000937463217 608793918 /nfs/dbraw/zinc/79/39/18/608793918.db2.gz GZGDTXZNTPWXAR-AWEZNQCLSA-N 1 2 340.387 0.963 20 30 ECEDLO COc1cc(C#N)ccc1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000934320399 608809848 /nfs/dbraw/zinc/80/98/48/608809848.db2.gz LWFSWHQCQMJBRO-CQSZACIVSA-N 1 2 333.388 0.332 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH]c[nH+]1 ZINC000937493408 608824977 /nfs/dbraw/zinc/82/49/77/608824977.db2.gz DCAKRTQTRNUDDB-JONQDZQNSA-N 1 2 344.415 0.745 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH+]c[nH]1 ZINC000937493408 608824980 /nfs/dbraw/zinc/82/49/80/608824980.db2.gz DCAKRTQTRNUDDB-JONQDZQNSA-N 1 2 344.415 0.745 20 30 ECEDLO C=CC[C@@H](OC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(=O)OC ZINC000923774769 608919581 /nfs/dbraw/zinc/91/95/81/608919581.db2.gz XWPVJQGNHKCHGL-MCIONIFRSA-N 1 2 327.377 0.527 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2C3CCC2(C(N)=O)CC3)CC1 ZINC000932937002 611688116 /nfs/dbraw/zinc/68/81/16/611688116.db2.gz IDSKLPJCPNSFLW-CSLYMUCUSA-N 1 2 347.463 0.161 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C3CCC2(C(N)=O)CC3)CC1 ZINC000932937002 611688118 /nfs/dbraw/zinc/68/81/18/611688118.db2.gz IDSKLPJCPNSFLW-CSLYMUCUSA-N 1 2 347.463 0.161 20 30 ECEDLO C#CC[C@@H](CO)NC(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000923919416 609470562 /nfs/dbraw/zinc/47/05/62/609470562.db2.gz PYJSPJCFNHSLAI-ROUUACIJSA-N 1 2 345.443 0.879 20 30 ECEDLO C#CC[C@@H](CO)NC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000923919416 609470563 /nfs/dbraw/zinc/47/05/63/609470563.db2.gz PYJSPJCFNHSLAI-ROUUACIJSA-N 1 2 345.443 0.879 20 30 ECEDLO Cc1cccc(S(=O)(=O)N2CCN(C)CC[N@@H+](C)CC2)c1C#N ZINC000907789921 609622388 /nfs/dbraw/zinc/62/23/88/609622388.db2.gz RNGXSUPFGHCVCG-UHFFFAOYSA-N 1 2 336.461 0.735 20 30 ECEDLO Cc1cccc(S(=O)(=O)N2CCN(C)CC[N@H+](C)CC2)c1C#N ZINC000907789921 609622389 /nfs/dbraw/zinc/62/23/89/609622389.db2.gz RNGXSUPFGHCVCG-UHFFFAOYSA-N 1 2 336.461 0.735 20 30 ECEDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NCC#CCO)C2)c1 ZINC000923762032 609697449 /nfs/dbraw/zinc/69/74/49/609697449.db2.gz ZNVBDCJKULAGGL-QGZVFWFLSA-N 1 2 331.416 0.491 20 30 ECEDLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NCC#CCO)C2)c1 ZINC000923762032 609697450 /nfs/dbraw/zinc/69/74/50/609697450.db2.gz ZNVBDCJKULAGGL-QGZVFWFLSA-N 1 2 331.416 0.491 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@@H]1C ZINC000947824279 611708698 /nfs/dbraw/zinc/70/86/98/611708698.db2.gz GPCBYSTZANRKHF-QWHCGFSZSA-N 1 2 342.403 0.064 20 30 ECEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@@H]1C ZINC000947824279 611708700 /nfs/dbraw/zinc/70/87/00/611708700.db2.gz GPCBYSTZANRKHF-QWHCGFSZSA-N 1 2 342.403 0.064 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)cc1 ZINC000938397907 609775585 /nfs/dbraw/zinc/77/55/85/609775585.db2.gz XLQNZSFLDANJAP-INIZCTEOSA-N 1 2 336.395 0.975 20 30 ECEDLO C#CCOCCC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000152340408 609847889 /nfs/dbraw/zinc/84/78/89/609847889.db2.gz WPIIHHXKQYBCGP-QGZVFWFLSA-N 1 2 346.427 0.610 20 30 ECEDLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)Cc2csc(C#N)c2)CC1 ZINC000914201876 609864693 /nfs/dbraw/zinc/86/46/93/609864693.db2.gz UQVIOUPDEKUMEE-CYBMUJFWSA-N 1 2 343.474 0.838 20 30 ECEDLO COCCOCC[NH+]1CCN(C(=O)c2cccc(C#CCO)c2)CC1 ZINC000911922255 609920589 /nfs/dbraw/zinc/92/05/89/609920589.db2.gz WHWZTLYQJXOIIN-UHFFFAOYSA-N 1 2 346.427 0.451 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)c1 ZINC000938703770 609952432 /nfs/dbraw/zinc/95/24/32/609952432.db2.gz QUWHELLYXHFGIX-HNNXBMFYSA-N 1 2 337.383 0.370 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c(F)c1 ZINC000917050706 609959183 /nfs/dbraw/zinc/95/91/83/609959183.db2.gz JHUSHCJZEXXBDS-ZDUSSCGKSA-N 1 2 338.408 0.366 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c(F)c1 ZINC000917050706 609959184 /nfs/dbraw/zinc/95/91/84/609959184.db2.gz JHUSHCJZEXXBDS-ZDUSSCGKSA-N 1 2 338.408 0.366 20 30 ECEDLO Cc1cccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c1C#N ZINC000917055265 609960347 /nfs/dbraw/zinc/96/03/47/609960347.db2.gz DWTLYFUMXDVEOB-AWEZNQCLSA-N 1 2 334.445 0.535 20 30 ECEDLO Cc1cccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c1C#N ZINC000917055265 609960349 /nfs/dbraw/zinc/96/03/49/609960349.db2.gz DWTLYFUMXDVEOB-AWEZNQCLSA-N 1 2 334.445 0.535 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc([C@@H]2NC(=O)NC2=O)cc1 ZINC000912621388 609974851 /nfs/dbraw/zinc/97/48/51/609974851.db2.gz LLBDAYBTPFXQTF-KBPBESRZSA-N 1 2 326.356 0.603 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc([C@@H]2NC(=O)NC2=O)cc1 ZINC000912621388 609974854 /nfs/dbraw/zinc/97/48/54/609974854.db2.gz LLBDAYBTPFXQTF-KBPBESRZSA-N 1 2 326.356 0.603 20 30 ECEDLO C=CCn1cc(C(=O)N(C)[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC000939911861 610166008 /nfs/dbraw/zinc/16/60/08/610166008.db2.gz ZQUWGHTUGRISER-CYBMUJFWSA-N 1 2 343.391 0.103 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000939907770 610168550 /nfs/dbraw/zinc/16/85/50/610168550.db2.gz BHUVRMWVDVODNO-ZDUSSCGKSA-N 1 2 326.360 0.525 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3[nH]cnc3C(C)(C)C)CC2)C1 ZINC000941413144 610302979 /nfs/dbraw/zinc/30/29/79/610302979.db2.gz RNQNGEBCKZGWMT-UHFFFAOYSA-N 1 2 329.448 0.782 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@H]3Cc4ccccc4O3)CC2)C1 ZINC000941422369 610307609 /nfs/dbraw/zinc/30/76/09/610307609.db2.gz LNVPURMILJZLPH-GOSISDBHSA-N 1 2 339.439 0.842 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cncn3-c3ccccc3)CC2)C1 ZINC000941438278 610315754 /nfs/dbraw/zinc/31/57/54/610315754.db2.gz NWPUTUOFOMEHSK-UHFFFAOYSA-N 1 2 349.438 0.948 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000941447908 610322777 /nfs/dbraw/zinc/32/27/77/610322777.db2.gz ATQPHLNMTZIWIV-KGLIPLIRSA-N 1 2 329.404 0.666 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(=O)[nH]c(C4CC4)n3)CC2)C1 ZINC000941449329 610323797 /nfs/dbraw/zinc/32/37/97/610323797.db2.gz NTNOCAZBXDYXJC-UHFFFAOYSA-N 1 2 341.415 0.135 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000941504296 610347071 /nfs/dbraw/zinc/34/70/71/610347071.db2.gz APNSEQMCPUKOOU-CABCVRRESA-N 1 2 332.404 0.535 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCN(C2C[NH+](CCN3CCCC3=O)C2)CC1 ZINC000941512646 610352100 /nfs/dbraw/zinc/35/21/00/610352100.db2.gz RNYFLSJWZVEYGK-UHFFFAOYSA-N 1 2 348.491 0.649 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C[C@@H](C)n3ccc(C)n3)CC2)C1 ZINC000941513424 610352509 /nfs/dbraw/zinc/35/25/09/610352509.db2.gz BYOMCNPXKANLNG-QGZVFWFLSA-N 1 2 343.475 0.994 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3cn(C)nc3Cl)CC2)C1 ZINC000941565217 610385525 /nfs/dbraw/zinc/38/55/25/610385525.db2.gz SMJFZBDHVKCKGM-UHFFFAOYSA-N 1 2 335.839 0.078 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ncn(C(C)(C)C)n3)CC2)C1 ZINC000941565425 610385631 /nfs/dbraw/zinc/38/56/31/610385631.db2.gz ZZJQZNUBEAXTKW-UHFFFAOYSA-N 1 2 330.436 0.108 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)COC3CCOCC3)CC2)C1 ZINC000941590382 610386937 /nfs/dbraw/zinc/38/69/37/610386937.db2.gz NFDWRFCSICIVLY-UHFFFAOYSA-N 1 2 335.448 0.034 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c(C)nn(CC)c3C)CC2)C1 ZINC000941607838 610405761 /nfs/dbraw/zinc/40/57/61/610405761.db2.gz XNDFZKYVAFZCAF-UHFFFAOYSA-N 1 2 343.475 0.985 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnc(C4CC4)nc3)CC2)C1 ZINC000941597004 610414437 /nfs/dbraw/zinc/41/44/37/610414437.db2.gz XHZLGCNJNGBCCQ-UHFFFAOYSA-N 1 2 339.443 0.819 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnn4c3CCCC4)CC2)C1 ZINC000941630541 610417509 /nfs/dbraw/zinc/41/75/09/610417509.db2.gz SDKYNNLCTXKEHU-UHFFFAOYSA-N 1 2 341.459 0.685 20 30 ECEDLO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)CC2)C1 ZINC000941632729 610419015 /nfs/dbraw/zinc/41/90/15/610419015.db2.gz PSVNGXNMXVEAAW-OAHLLOKOSA-N 1 2 343.475 0.919 20 30 ECEDLO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4[nH]cnc4C3)CC2)C1 ZINC000941632729 610419018 /nfs/dbraw/zinc/41/90/18/610419018.db2.gz PSVNGXNMXVEAAW-OAHLLOKOSA-N 1 2 343.475 0.919 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)Oc3ccccn3)CC2)C1 ZINC000941640887 610422248 /nfs/dbraw/zinc/42/22/48/610422248.db2.gz IFAJKEHEXPWRDN-INIZCTEOSA-N 1 2 342.443 0.701 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000941931686 610569140 /nfs/dbraw/zinc/56/91/40/610569140.db2.gz HLXRWMIIHMDEGP-FMKPAKJESA-N 1 2 346.431 0.959 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ncnn3C)C[C@H]2C)cn1 ZINC000944213860 610785971 /nfs/dbraw/zinc/78/59/71/610785971.db2.gz GWZCPQJHZLGDPB-CZUORRHYSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ncnn3C)C[C@H]2C)cn1 ZINC000944213860 610785973 /nfs/dbraw/zinc/78/59/73/610785973.db2.gz GWZCPQJHZLGDPB-CZUORRHYSA-N 1 2 338.415 0.832 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCCCN(C(=O)C#CC2CC2)C1 ZINC000943382608 610816045 /nfs/dbraw/zinc/81/60/45/610816045.db2.gz WMAOWIIDSPQDIB-HNNXBMFYSA-N 1 2 328.416 0.873 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC000945035128 610890038 /nfs/dbraw/zinc/89/00/38/610890038.db2.gz JSMSJRRPKYUGOH-AWEZNQCLSA-N 1 2 329.404 0.884 20 30 ECEDLO C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000945279280 610994912 /nfs/dbraw/zinc/99/49/12/610994912.db2.gz LKJGMVPOYHOBPZ-SMDDNHRTSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000945279279 610994914 /nfs/dbraw/zinc/99/49/14/610994914.db2.gz LKJGMVPOYHOBPZ-RISCZKNCSA-N 1 2 340.387 0.819 20 30 ECEDLO C#CC[NH+]1CCC(NC(=O)N[C@@H](C)C2(S(C)(=O)=O)CC2)CC1 ZINC000922435052 611350896 /nfs/dbraw/zinc/35/08/96/611350896.db2.gz JOBAYODKUYMRBU-LBPRGKRZSA-N 1 2 327.450 0.349 20 30 ECEDLO N#Cc1ccc([C@@H]2C[N@H+](C[C@H](O)C[C@@]3(O)CCOC3)CCO2)cc1 ZINC000933632139 611736964 /nfs/dbraw/zinc/73/69/64/611736964.db2.gz OTYGABOQRYCTLP-SQNIBIBYSA-N 1 2 332.400 0.834 20 30 ECEDLO N#Cc1ccc([C@@H]2C[N@@H+](C[C@H](O)C[C@@]3(O)CCOC3)CCO2)cc1 ZINC000933632139 611736965 /nfs/dbraw/zinc/73/69/65/611736965.db2.gz OTYGABOQRYCTLP-SQNIBIBYSA-N 1 2 332.400 0.834 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cnn(C)n3)[C@H](C)C2)nc1 ZINC000947946501 611751686 /nfs/dbraw/zinc/75/16/86/611751686.db2.gz AWMLBISYVXWXMG-UKRRQHHQSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnn(C)n3)[C@H](C)C2)nc1 ZINC000947946501 611751688 /nfs/dbraw/zinc/75/16/88/611751688.db2.gz AWMLBISYVXWXMG-UKRRQHHQSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCS(C)(=O)=O)[C@@H](C)C2)cn1 ZINC000947949039 611752869 /nfs/dbraw/zinc/75/28/69/611752869.db2.gz RGXWFCKGHHYNLC-BBRMVZONSA-N 1 2 349.456 0.690 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCS(C)(=O)=O)[C@@H](C)C2)cn1 ZINC000947949039 611752871 /nfs/dbraw/zinc/75/28/71/611752871.db2.gz RGXWFCKGHHYNLC-BBRMVZONSA-N 1 2 349.456 0.690 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3nncn3C)[C@@H](C)C2)cn1 ZINC000947949742 611753038 /nfs/dbraw/zinc/75/30/38/611753038.db2.gz ZQMOBXHRWSTKDB-XJKSGUPXSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nncn3C)[C@@H](C)C2)cn1 ZINC000947949742 611753040 /nfs/dbraw/zinc/75/30/40/611753040.db2.gz ZQMOBXHRWSTKDB-XJKSGUPXSA-N 1 2 338.415 0.974 20 30 ECEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000948985322 611785875 /nfs/dbraw/zinc/78/58/75/611785875.db2.gz CMWNAEQHMYGHAQ-JKSUJKDBSA-N 1 2 347.440 0.027 20 30 ECEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000948985322 611785879 /nfs/dbraw/zinc/78/58/79/611785879.db2.gz CMWNAEQHMYGHAQ-JKSUJKDBSA-N 1 2 347.440 0.027 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1(C#N)CCSCC1 ZINC000934322278 611789450 /nfs/dbraw/zinc/78/94/50/611789450.db2.gz ZEBFLEYRUGEHGD-ZDUSSCGKSA-N 1 2 327.450 0.175 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCOC2(CC[NH+](Cc3cnn(C)n3)CC2)C1 ZINC000949051445 611828915 /nfs/dbraw/zinc/82/89/15/611828915.db2.gz HNPHECQVRCIEBG-ZDUSSCGKSA-N 1 2 332.408 0.168 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCOC2(CC[NH+](Cc3cn(C)nn3)CC2)C1 ZINC000949053726 611830492 /nfs/dbraw/zinc/83/04/92/611830492.db2.gz HHZPDJFNMDAMHY-CYBMUJFWSA-N 1 2 332.408 0.168 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC000950852101 611944441 /nfs/dbraw/zinc/94/44/41/611944441.db2.gz PDDQEGWIJLGSEC-LBPRGKRZSA-N 1 2 343.391 0.151 20 30 ECEDLO N#Cc1ccc(C(=O)NCC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)[nH]1 ZINC000949351289 611948620 /nfs/dbraw/zinc/94/86/20/611948620.db2.gz VLUMLNHOCSBUPB-UHFFFAOYSA-N 1 2 340.387 0.821 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C[C@H]3CCN(C)C3=O)CC2)C1 ZINC000949391662 611962373 /nfs/dbraw/zinc/96/23/73/611962373.db2.gz PKYAXFAJDZTDKT-OAHLLOKOSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C[C@H]3CCN(C)C3=O)CC2)C1 ZINC000949391662 611962375 /nfs/dbraw/zinc/96/23/75/611962375.db2.gz PKYAXFAJDZTDKT-OAHLLOKOSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cn4cccnc4n3)CC2)C1 ZINC000949405626 611967111 /nfs/dbraw/zinc/96/71/11/611967111.db2.gz BHQWOAQJTSBAMF-UHFFFAOYSA-N 1 2 339.399 0.670 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cn4cccnc4n3)CC2)C1 ZINC000949405626 611967112 /nfs/dbraw/zinc/96/71/12/611967112.db2.gz BHQWOAQJTSBAMF-UHFFFAOYSA-N 1 2 339.399 0.670 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccn4nnnc4c3)CC2)C1 ZINC000949433507 611978640 /nfs/dbraw/zinc/97/86/40/611978640.db2.gz XNCCSJZWJSIMNC-UHFFFAOYSA-N 1 2 340.387 0.065 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccn4nnnc4c3)CC2)C1 ZINC000949433507 611978642 /nfs/dbraw/zinc/97/86/42/611978642.db2.gz XNCCSJZWJSIMNC-UHFFFAOYSA-N 1 2 340.387 0.065 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC(=O)N3C(C)C)CC2)C1 ZINC000949446748 611983765 /nfs/dbraw/zinc/98/37/65/611983765.db2.gz ASIIBIRBBZSDQA-INIZCTEOSA-N 1 2 347.459 0.712 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC(=O)N3C(C)C)CC2)C1 ZINC000949446748 611983767 /nfs/dbraw/zinc/98/37/67/611983767.db2.gz ASIIBIRBBZSDQA-INIZCTEOSA-N 1 2 347.459 0.712 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C(=O)N3CCC[C@@H](C)C3)CC2)C1 ZINC000949489468 612003081 /nfs/dbraw/zinc/00/30/81/612003081.db2.gz FLXVILASQMOBFM-MRXNPFEDSA-N 1 2 347.459 0.572 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C(=O)N3CCC[C@@H](C)C3)CC2)C1 ZINC000949489468 612003083 /nfs/dbraw/zinc/00/30/83/612003083.db2.gz FLXVILASQMOBFM-MRXNPFEDSA-N 1 2 347.459 0.572 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000949491080 612003786 /nfs/dbraw/zinc/00/37/86/612003786.db2.gz LKBPWUZHFWBQCT-AWEZNQCLSA-N 1 2 340.387 0.583 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCN(C(=O)CC)C3)CC2)C1 ZINC000949507105 612013466 /nfs/dbraw/zinc/01/34/66/612013466.db2.gz SXQRIMFXOZKOKE-INIZCTEOSA-N 1 2 347.459 0.572 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCN(C(=O)CC)C3)CC2)C1 ZINC000949507105 612013467 /nfs/dbraw/zinc/01/34/67/612013467.db2.gz SXQRIMFXOZKOKE-INIZCTEOSA-N 1 2 347.459 0.572 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)nc1 ZINC000951253252 612107046 /nfs/dbraw/zinc/10/70/46/612107046.db2.gz VAVJRQBDLGWEMF-HNNXBMFYSA-N 1 2 337.383 0.680 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000952067440 612210634 /nfs/dbraw/zinc/21/06/34/612210634.db2.gz WUSBCAKWUKOUGE-MJBXVCDLSA-N 1 2 332.404 0.651 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)c1 ZINC000951459268 612249363 /nfs/dbraw/zinc/24/93/63/612249363.db2.gz SDQMRFBYKWNWAJ-AWEZNQCLSA-N 1 2 340.387 0.894 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C(F)C(F)(F)F)C1 ZINC000954631304 612468956 /nfs/dbraw/zinc/46/89/56/612468956.db2.gz VOAWHEGBIBSLKQ-RYUDHWBXSA-N 1 2 349.328 0.654 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C(F)C(F)(F)F)C1 ZINC000954631304 612468961 /nfs/dbraw/zinc/46/89/61/612468961.db2.gz VOAWHEGBIBSLKQ-RYUDHWBXSA-N 1 2 349.328 0.654 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000955367496 612504776 /nfs/dbraw/zinc/50/47/76/612504776.db2.gz NWYHVZUXQLLHJB-CABCVRRESA-N 1 2 332.404 0.534 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)c1 ZINC000955984638 612565490 /nfs/dbraw/zinc/56/54/90/612565490.db2.gz DKRYCVQKJNBWFL-ZDUSSCGKSA-N 1 2 340.387 0.963 20 30 ECEDLO C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000956835367 612606698 /nfs/dbraw/zinc/60/66/98/612606698.db2.gz LBINMICKBLSSMP-INIZCTEOSA-N 1 2 326.360 0.573 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000954072709 612630228 /nfs/dbraw/zinc/63/02/28/612630228.db2.gz FNZBYCIUCKZNTE-UHFFFAOYSA-N 1 2 326.360 0.456 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000951817013 612659156 /nfs/dbraw/zinc/65/91/56/612659156.db2.gz PKHJIKSJJMZNRO-OAHLLOKOSA-N 1 2 337.383 0.750 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000954787125 612682809 /nfs/dbraw/zinc/68/28/09/612682809.db2.gz CTNBHRIKFDYBSF-CABCVRRESA-N 1 2 346.431 0.993 20 30 ECEDLO C=CCn1cc(C(=O)N[C@]2(C)CCN(C(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC000956930339 612713801 /nfs/dbraw/zinc/71/38/01/612713801.db2.gz VADCETRTNAQBGX-MRXNPFEDSA-N 1 2 343.391 0.151 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CC(F)(F)F)CC2)C1 ZINC000956585523 612919132 /nfs/dbraw/zinc/91/91/32/612919132.db2.gz BLRLYDAOXVIECP-VXGBXAGGSA-N 1 2 346.353 0.844 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCOC3)C2)CC1 ZINC000956600050 612923216 /nfs/dbraw/zinc/92/32/16/612923216.db2.gz UGAOYSZGQZXAAS-HZPDHXFCSA-N 1 2 349.475 0.980 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CC3(O)CCC3)C2)CC1 ZINC000956605377 612924561 /nfs/dbraw/zinc/92/45/61/612924561.db2.gz KCJZFKJFDFDPRS-LSDHHAIUSA-N 1 2 348.447 0.196 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)CC(C)(F)F)C2)CC1 ZINC000956605730 612924736 /nfs/dbraw/zinc/92/47/36/612924736.db2.gz MGOFHKRQOVQEKI-STQMWFEESA-N 1 2 342.390 0.936 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC000970095765 732772709 /nfs/dbraw/zinc/77/27/09/732772709.db2.gz KDONPNRTTQGTHN-NEPJUHHUSA-N 1 2 328.844 0.966 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC000970095769 732772938 /nfs/dbraw/zinc/77/29/38/732772938.db2.gz KDONPNRTTQGTHN-VXGBXAGGSA-N 1 2 328.844 0.966 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCN(C)S2(=O)=O)C1 ZINC000970568981 733683607 /nfs/dbraw/zinc/68/36/07/733683607.db2.gz JCMDPGZNPFCUIY-PWSUYJOCSA-N 1 2 335.857 0.209 20 30 ECEDLO COc1ccc(C#N)cc1C[NH+]1CC([C@@H](C)NC(=O)c2nnc[nH]2)C1 ZINC000970609153 733736846 /nfs/dbraw/zinc/73/68/46/733736846.db2.gz SCUZBVSWDOABPJ-LLVKDONJSA-N 1 2 340.387 0.935 20 30 ECEDLO CC[C@H](C)c1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)on1 ZINC001114943002 734021484 /nfs/dbraw/zinc/02/14/84/734021484.db2.gz QDMLONVCWJCEFW-PVTKRXDGSA-N 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343.427 0.817 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccc(C(N)=O)cc3)C2)C1 ZINC000972697454 737414019 /nfs/dbraw/zinc/41/40/19/737414019.db2.gz WZLAYOXKTJFOBI-IBGZPJMESA-N 1 2 343.427 0.817 20 30 ECEDLO C[C@@H](CC(=O)NC[C@]1(O)CCN(C(=O)C#CC2CC2)C1)n1cc[nH+]c1 ZINC001039743420 737976560 /nfs/dbraw/zinc/97/65/60/737976560.db2.gz RRIIZEGOFVIESR-KBXCAEBGSA-N 1 2 344.415 0.327 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc4c([nH]3)CCC4)C2)nn1 ZINC001105359297 751412368 /nfs/dbraw/zinc/41/23/68/751412368.db2.gz BGGHHLBPCLHKQC-UHFFFAOYSA-N 1 2 338.415 0.905 20 30 ECEDLO C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)CCc1c[nH+]cn1C ZINC001104642029 739351388 /nfs/dbraw/zinc/35/13/88/739351388.db2.gz PMQDNNUJDIMLHR-GFCCVEGCSA-N 1 2 327.392 0.973 20 30 ECEDLO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@H]1CCC[N@H+](Cc2nnnn2C)C1 ZINC001025391563 739366747 /nfs/dbraw/zinc/36/67/47/739366747.db2.gz SVBUYLIHLXSFTI-NEPJUHHUSA-N 1 2 342.407 0.440 20 30 ECEDLO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@H]1CCC[N@@H+](Cc2nnnn2C)C1 ZINC001025391563 739366749 /nfs/dbraw/zinc/36/67/49/739366749.db2.gz SVBUYLIHLXSFTI-NEPJUHHUSA-N 1 2 342.407 0.440 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001028196106 751446178 /nfs/dbraw/zinc/44/61/78/751446178.db2.gz ABWPKZBZAZPFLJ-IPYPFGDCSA-N 1 2 349.435 0.170 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001028196106 751446184 /nfs/dbraw/zinc/44/61/84/751446184.db2.gz ABWPKZBZAZPFLJ-IPYPFGDCSA-N 1 2 349.435 0.170 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H](C)C2CN(C(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC001006533668 751489108 /nfs/dbraw/zinc/48/91/08/751489108.db2.gz KUHQAZDUNLCEHB-GFCCVEGCSA-N 1 2 337.383 0.605 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)C=C(C)C)C2)nn1 ZINC001098604279 739917733 /nfs/dbraw/zinc/91/77/33/739917733.db2.gz LEIIUTICEXHBQM-OAHLLOKOSA-N 1 2 346.435 0.410 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3nnc(C)[nH]3)C[C@H]21 ZINC001026056791 740343991 /nfs/dbraw/zinc/34/39/91/740343991.db2.gz CBSFUMKRVYBGMA-RUHRBVTDSA-N 1 2 331.420 0.812 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3nnc(C)[nH]3)C[C@H]21 ZINC001026056791 740343994 /nfs/dbraw/zinc/34/39/94/740343994.db2.gz CBSFUMKRVYBGMA-RUHRBVTDSA-N 1 2 331.420 0.812 20 30 ECEDLO C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H](C)S(C)(=O)=O)C[C@@H](C)O2 ZINC001098610673 740814720 /nfs/dbraw/zinc/81/47/20/740814720.db2.gz OCUKWJDQIYUSCK-KGLIPLIRSA-N 1 2 342.461 0.135 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C3=COCCO3)[C@@H](O)C2)cc1F ZINC001083322805 751592149 /nfs/dbraw/zinc/59/21/49/751592149.db2.gz ZUYWIGUTXKWCHJ-CABCVRRESA-N 1 2 347.346 0.247 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C3=COCCO3)[C@@H](O)C2)cc1F ZINC001083322805 751592155 /nfs/dbraw/zinc/59/21/55/751592155.db2.gz ZUYWIGUTXKWCHJ-CABCVRRESA-N 1 2 347.346 0.247 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000974180626 741064638 /nfs/dbraw/zinc/06/46/38/741064638.db2.gz ZYIKVKCVKDWBIU-YXPYIKCWSA-N 1 2 346.431 0.707 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnn(C)n2)C1 ZINC001105090254 741337177 /nfs/dbraw/zinc/33/71/77/741337177.db2.gz OHSHWXQNHHRKLQ-HZSPNIEDSA-N 1 2 336.440 0.375 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CSCC#N)C2)nn1 ZINC001098618607 741406295 /nfs/dbraw/zinc/40/62/95/741406295.db2.gz GGGQUISJCYVOPI-CQSZACIVSA-N 1 2 332.433 0.421 20 30 ECEDLO C=CCCC(=O)N1CC(n2cc(C[NH2+]CC(=O)NCC(C)C)nn2)C1 ZINC001105183313 741448958 /nfs/dbraw/zinc/44/89/58/741448958.db2.gz KZAOGKAEXKGVFM-UHFFFAOYSA-N 1 2 348.451 0.489 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC(n2cc(C[NH2+]C/C=C\Cl)nn2)C1 ZINC001105223898 741501536 /nfs/dbraw/zinc/50/15/36/741501536.db2.gz NQMPXJDRXBZTQG-XVWMLYKFSA-N 1 2 339.827 0.831 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@H](Nc1nc(N(C)C)nc(C)[nH+]1)C(C)C ZINC001105227013 741512645 /nfs/dbraw/zinc/51/26/45/741512645.db2.gz VYUINEATCHEWOB-OCCSQVGLSA-N 1 2 348.451 0.837 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(OCC)nc3)C2)nn1 ZINC001105256652 741571766 /nfs/dbraw/zinc/57/17/66/741571766.db2.gz MCYKLTLYQMJNNT-UHFFFAOYSA-N 1 2 340.387 0.492 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C3(COC)CCCCC3)C2)nn1 ZINC001105256817 741572159 /nfs/dbraw/zinc/57/21/59/741572159.db2.gz UFQPVEXIEKUZBW-UHFFFAOYSA-N 1 2 345.447 0.981 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3cc(C)on3)C2)C1=O ZINC001006671682 751649281 /nfs/dbraw/zinc/64/92/81/751649281.db2.gz NPDIRVGZTXZZKD-ZFWWWQNUSA-N 1 2 332.404 0.964 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cc(C)on3)C2)C1=O ZINC001006671682 751649288 /nfs/dbraw/zinc/64/92/88/751649288.db2.gz NPDIRVGZTXZZKD-ZFWWWQNUSA-N 1 2 332.404 0.964 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCO[C@@H]3CC)C2)nn1 ZINC001105256457 741576960 /nfs/dbraw/zinc/57/69/60/741576960.db2.gz FJCSSARPKIPCTM-HZPDHXFCSA-N 1 2 331.420 0.589 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCO[C@@H]3C(C)C)C2)nn1 ZINC001105259651 741581443 /nfs/dbraw/zinc/58/14/43/741581443.db2.gz HCCVHWFJQKMGRA-HZPDHXFCSA-N 1 2 331.420 0.445 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)C3CCC3)C2)nn1 ZINC001105266024 741602762 /nfs/dbraw/zinc/60/27/62/741602762.db2.gz MIWPOKSWESXUBD-AWEZNQCLSA-N 1 2 345.447 0.837 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)c2[nH]c(=O)[nH]c2C)C1=O ZINC001038374166 741626141 /nfs/dbraw/zinc/62/61/41/741626141.db2.gz MSLGEYOSUNVRIE-RYUDHWBXSA-N 1 2 333.392 0.015 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)c2[nH]c(=O)[nH]c2C)C1=O ZINC001038374166 741626143 /nfs/dbraw/zinc/62/61/43/741626143.db2.gz MSLGEYOSUNVRIE-RYUDHWBXSA-N 1 2 333.392 0.015 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(F)c[nH]3)C2)nn1 ZINC001105285807 741645718 /nfs/dbraw/zinc/64/57/18/741645718.db2.gz VTOUDPHFOSPIBF-UHFFFAOYSA-N 1 2 346.366 0.182 20 30 ECEDLO C=C[C@@](C)(CCOC)C(=O)N1CC(n2cc(C[NH2+]CCF)nn2)C1 ZINC001105292456 741656706 /nfs/dbraw/zinc/65/67/06/741656706.db2.gz QAGSUSBPLPWQMQ-INIZCTEOSA-N 1 2 339.415 0.949 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)cc(C)[nH]c3=O)C2)nn1 ZINC001105294909 741666680 /nfs/dbraw/zinc/66/66/80/741666680.db2.gz MNYPLCLPCMZYBM-UHFFFAOYSA-N 1 2 340.387 0.415 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(n2cc(C[NH2+]CC(=O)NCCC)nn2)C1 ZINC001105297247 741674533 /nfs/dbraw/zinc/67/45/33/741674533.db2.gz KDMNJBGGPVNNDT-UHFFFAOYSA-N 1 2 348.451 0.489 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105305783 741699504 /nfs/dbraw/zinc/69/95/04/741699504.db2.gz PCKFTHOCQMHBFE-GJZGRUSLSA-N 1 2 345.447 0.859 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC(n2cc(C[NH2+]CC(=O)NCC)nn2)C1 ZINC001105309969 741718935 /nfs/dbraw/zinc/71/89/35/741718935.db2.gz KMVHCVXXTAJWGY-ZDUSSCGKSA-N 1 2 348.451 0.489 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[C@H](OC)C3)C2)nn1 ZINC001105314220 741734586 /nfs/dbraw/zinc/73/45/86/741734586.db2.gz OGCCEJDEVHJCCI-BBRMVZONSA-N 1 2 331.420 0.589 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CC[C@@H](C)O3)C2)nn1 ZINC001105317015 741750899 /nfs/dbraw/zinc/75/08/99/741750899.db2.gz DBRWTBFWAKIEDY-CZUORRHYSA-N 1 2 331.420 0.732 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCOC[C@@H]3C)C2)nn1 ZINC001105322594 741781961 /nfs/dbraw/zinc/78/19/61/741781961.db2.gz WVUWBNVOYFVMDW-BBRMVZONSA-N 1 2 331.420 0.447 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O)C1CCOCC1 ZINC001083303225 741797348 /nfs/dbraw/zinc/79/73/48/741797348.db2.gz QEBMDZWCYKWMNE-MSOLQXFVSA-N 1 2 346.402 0.765 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O)C1CCOCC1 ZINC001083303225 741797349 /nfs/dbraw/zinc/79/73/49/741797349.db2.gz QEBMDZWCYKWMNE-MSOLQXFVSA-N 1 2 346.402 0.765 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]c(=O)cc3C)C2)nn1 ZINC001105325610 741802067 /nfs/dbraw/zinc/80/20/67/741802067.db2.gz SZVBIVUZWULWDZ-UHFFFAOYSA-N 1 2 326.360 0.107 20 30 ECEDLO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCc3cn[nH]n3)C2)nn1 ZINC001105330112 741833665 /nfs/dbraw/zinc/83/36/65/741833665.db2.gz OXTNDHKRQVRTDC-UHFFFAOYSA-N 1 2 330.396 0.078 20 30 ECEDLO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCc3c[nH]nn3)C2)nn1 ZINC001105330112 741833673 /nfs/dbraw/zinc/83/36/73/741833673.db2.gz OXTNDHKRQVRTDC-UHFFFAOYSA-N 1 2 330.396 0.078 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)Cn3cnnn3)C2)c(F)c1 ZINC001006686815 751674345 /nfs/dbraw/zinc/67/43/45/751674345.db2.gz VGZUPOGZZAKPSR-AWEZNQCLSA-N 1 2 343.366 0.465 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)Cn3cnnn3)C2)c(F)c1 ZINC001006686815 751674348 /nfs/dbraw/zinc/67/43/48/751674348.db2.gz VGZUPOGZZAKPSR-AWEZNQCLSA-N 1 2 343.366 0.465 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 ZINC000974587157 741924006 /nfs/dbraw/zinc/92/40/06/741924006.db2.gz XPTFHNLJMRTVFL-GDBMZVCRSA-N 1 2 326.400 0.435 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2ccn(C)n2)CC1(C)C ZINC000974686502 742001809 /nfs/dbraw/zinc/00/18/09/742001809.db2.gz PFSAONFKFBYGMY-IRXDYDNUSA-N 1 2 343.475 0.844 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2ccn(C)n2)CC1(C)C ZINC000974686502 742001815 /nfs/dbraw/zinc/00/18/15/742001815.db2.gz PFSAONFKFBYGMY-IRXDYDNUSA-N 1 2 343.475 0.844 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnn(C)n2)CC1(C)C ZINC000974687214 742003584 /nfs/dbraw/zinc/00/35/84/742003584.db2.gz SDOMNRUHBHKMOG-JKSUJKDBSA-N 1 2 344.463 0.239 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnn(C)n2)CC1(C)C ZINC000974687214 742003587 /nfs/dbraw/zinc/00/35/87/742003587.db2.gz SDOMNRUHBHKMOG-JKSUJKDBSA-N 1 2 344.463 0.239 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnc(C)[nH]2)CC1(C)C ZINC000974683069 742010746 /nfs/dbraw/zinc/01/07/46/742010746.db2.gz BLAUMLWIZOEKRS-LSDHHAIUSA-N 1 2 344.463 0.537 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnc(C)[nH]2)CC1(C)C ZINC000974683069 742010747 /nfs/dbraw/zinc/01/07/47/742010747.db2.gz BLAUMLWIZOEKRS-LSDHHAIUSA-N 1 2 344.463 0.537 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CO[C@H]3CCCC[C@H]3C)C2)nn1 ZINC001105336508 742386237 /nfs/dbraw/zinc/38/62/37/742386237.db2.gz GIQJDBMKKGEITB-PBHICJAKSA-N 1 2 345.447 0.980 20 30 ECEDLO N#CCSCC(=O)NCC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001059865316 751756546 /nfs/dbraw/zinc/75/65/46/751756546.db2.gz NMVJPHZRXCAYON-CYBMUJFWSA-N 1 2 335.433 0.495 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](Cc3cn(CC)nn3)C2)nc1 ZINC001028939805 742936728 /nfs/dbraw/zinc/93/67/28/742936728.db2.gz TWPIADQDCZXFOI-HNNXBMFYSA-N 1 2 338.415 0.926 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](Cc3cn(CC)nn3)C2)nc1 ZINC001028939805 742936731 /nfs/dbraw/zinc/93/67/31/742936731.db2.gz TWPIADQDCZXFOI-HNNXBMFYSA-N 1 2 338.415 0.926 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)cn1 ZINC000997091927 743223376 /nfs/dbraw/zinc/22/33/76/743223376.db2.gz DCYNMZBFESOEAB-UHFFFAOYSA-N 1 2 337.383 0.704 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001027291565 743454148 /nfs/dbraw/zinc/45/41/48/743454148.db2.gz RRPJRUOZANOTDM-LLVKDONJSA-N 1 2 343.229 0.505 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001027291565 743454150 /nfs/dbraw/zinc/45/41/50/743454150.db2.gz RRPJRUOZANOTDM-LLVKDONJSA-N 1 2 343.229 0.505 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](Cc2nnnn2C)CC1 ZINC000997754737 743793889 /nfs/dbraw/zinc/79/38/89/743793889.db2.gz QUPGTLFZADOHEV-CFVMTHIKSA-N 1 2 348.451 0.518 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H](C)C2CN(C(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC001006831506 751885099 /nfs/dbraw/zinc/88/50/99/751885099.db2.gz GISQDKLISLBEMH-LBPRGKRZSA-N 1 2 337.383 0.605 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000976587093 744110484 /nfs/dbraw/zinc/11/04/84/744110484.db2.gz VATFXZKQLGZVHW-HNKZQRQQSA-N 1 2 344.415 0.506 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000976722233 744269607 /nfs/dbraw/zinc/26/96/07/744269607.db2.gz AQSBIWOFSVXWOB-VEESAYDSSA-N 1 2 327.388 0.178 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]21 ZINC000976762280 744303057 /nfs/dbraw/zinc/30/30/57/744303057.db2.gz ZEWCUUVEDWYDMJ-CNXAATOLSA-N 1 2 328.372 0.365 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000976764505 744305900 /nfs/dbraw/zinc/30/59/00/744305900.db2.gz NSCTWARUVLUTRR-NJURLYQPSA-N 1 2 330.388 0.047 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]c[nH]2)nc1 ZINC000998951408 744424981 /nfs/dbraw/zinc/42/49/81/744424981.db2.gz ARPLGGFXRMFCEN-PVAVHDDUSA-N 1 2 349.394 0.890 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)cn1 ZINC000976916561 744475763 /nfs/dbraw/zinc/47/57/63/744475763.db2.gz OLVQFQKHWMAHAJ-QLPKVWCKSA-N 1 2 335.367 0.215 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)C[C@@H]2C=CCC2)C1 ZINC001149137484 751932213 /nfs/dbraw/zinc/93/22/13/751932213.db2.gz PNTPWCFJMLOVKP-CVEARBPZSA-N 1 2 333.432 0.299 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)C[C@@H]2C=CCC2)C1 ZINC001149137484 751932220 /nfs/dbraw/zinc/93/22/20/751932220.db2.gz 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C=C(Cl)C[N@H+]1C[C@H](NC(=O)CN2C(=O)CCC2=O)C(C)(C)C1 ZINC000977562879 745206495 /nfs/dbraw/zinc/20/64/95/745206495.db2.gz BAMPDUOROFJGPW-NSHDSACASA-N 1 2 327.812 0.715 20 30 ECEDLO CN(C[C@H]1CCN1C(=O)Cc1c[nH+]c[nH]1)C(=O)c1c[nH]c(C#N)c1 ZINC000977585359 745245442 /nfs/dbraw/zinc/24/54/42/745245442.db2.gz PVJJHBRJDISHQT-CQSZACIVSA-N 1 2 326.360 0.525 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CC3CCC(OC)CC3)C2)nn1 ZINC001105384289 745250209 /nfs/dbraw/zinc/25/02/09/745250209.db2.gz FQRBIMZXLXFNLT-UHFFFAOYSA-N 1 2 345.447 0.980 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3nonc3C)C(C)(C)C2)C1=O ZINC000977671773 745378060 /nfs/dbraw/zinc/37/80/60/745378060.db2.gz WCNQNAZQWSYNIV-QWHCGFSZSA-N 1 2 347.419 0.605 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3nonc3C)C(C)(C)C2)C1=O ZINC000977671773 745378064 /nfs/dbraw/zinc/37/80/64/745378064.db2.gz WCNQNAZQWSYNIV-QWHCGFSZSA-N 1 2 347.419 0.605 20 30 ECEDLO C=CCC1(C(=O)NCC[NH2+]Cc2nc(N(C)C)no2)CCOCC1 ZINC001149317652 745459239 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N#Cc1nccc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)n1 ZINC001059336042 745991158 /nfs/dbraw/zinc/99/11/58/745991158.db2.gz HXRPXMIQRVVWBM-JHJVBQTASA-N 1 2 337.387 0.288 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)c1 ZINC001007030984 752054674 /nfs/dbraw/zinc/05/46/74/752054674.db2.gz UJBQVNAMCMLYGR-AWEZNQCLSA-N 1 2 329.404 0.703 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)c1 ZINC001007030984 752054681 /nfs/dbraw/zinc/05/46/81/752054681.db2.gz UJBQVNAMCMLYGR-AWEZNQCLSA-N 1 2 329.404 0.703 20 30 ECEDLO N#CCN1CC=C(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001001077423 746052095 /nfs/dbraw/zinc/05/20/95/746052095.db2.gz VSJGYIBTRUUHSU-KRWDZBQOSA-N 1 2 332.448 0.902 20 30 ECEDLO N#CCN1CC=C(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001001077423 746052102 /nfs/dbraw/zinc/05/21/02/746052102.db2.gz VSJGYIBTRUUHSU-KRWDZBQOSA-N 1 2 332.448 0.902 20 30 ECEDLO C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001027641565 746469858 /nfs/dbraw/zinc/46/98/58/746469858.db2.gz LGADBECMBZUCMK-HUUCEWRRSA-N 1 2 326.462 0.757 20 30 ECEDLO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001027641565 746469865 /nfs/dbraw/zinc/46/98/65/746469865.db2.gz LGADBECMBZUCMK-HUUCEWRRSA-N 1 2 326.462 0.757 20 30 ECEDLO CCc1nnc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]3C2)n1C ZINC001087911563 746646207 /nfs/dbraw/zinc/64/62/07/746646207.db2.gz ZRUWZZTVARQEMT-MJBXVCDLSA-N 1 2 330.436 0.817 20 30 ECEDLO CCc1nnc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]3C2)n1C ZINC001087911563 746646210 /nfs/dbraw/zinc/64/62/10/746646210.db2.gz ZRUWZZTVARQEMT-MJBXVCDLSA-N 1 2 330.436 0.817 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c[nH]1 ZINC000978733318 746646792 /nfs/dbraw/zinc/64/67/92/746646792.db2.gz CBECEBGHFQIJBD-KLPPZKSPSA-N 1 2 326.360 0.477 20 30 ECEDLO Cc1nnc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]3C2)[nH]1 ZINC001087925645 746670598 /nfs/dbraw/zinc/67/05/98/746670598.db2.gz 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C#CC[NH2+]Cc1cn(C2CN(C(=O)c3coc(CCC)n3)C2)nn1 ZINC001105361431 752127010 /nfs/dbraw/zinc/12/70/10/752127010.db2.gz ZUQDEXGZTCMQGN-UHFFFAOYSA-N 1 2 328.376 0.639 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)CC[C@@H]2C1 ZINC001088064562 747185485 /nfs/dbraw/zinc/18/54/85/747185485.db2.gz KUHFZULSXJBUFZ-KGLIPLIRSA-N 1 2 347.463 0.991 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)CC[C@@H]2C1 ZINC001088064562 747185492 /nfs/dbraw/zinc/18/54/92/747185492.db2.gz KUHFZULSXJBUFZ-KGLIPLIRSA-N 1 2 347.463 0.991 20 30 ECEDLO N#CCN1CC[C@@H]2CN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088079167 747267563 /nfs/dbraw/zinc/26/75/63/747267563.db2.gz OVGNWFPCHVUGJJ-SOLBZPMBSA-N 1 2 346.475 0.934 20 30 ECEDLO N#CCN1CC[C@@H]2CN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)C[C@@H]2C1 ZINC001088079167 747267569 /nfs/dbraw/zinc/26/75/69/747267569.db2.gz OVGNWFPCHVUGJJ-SOLBZPMBSA-N 1 2 346.475 0.934 20 30 ECEDLO N#CCOc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cn[nH]n2)cc1 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MFDTWRIIUQOXGZ-CYBMUJFWSA-N 1 2 340.387 0.751 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1 ZINC001002865692 747893606 /nfs/dbraw/zinc/89/36/06/747893606.db2.gz WSGRTQIMOMBHRX-HZPDHXFCSA-N 1 2 349.394 0.778 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1 ZINC001002865692 747893613 /nfs/dbraw/zinc/89/36/13/747893613.db2.gz WSGRTQIMOMBHRX-HZPDHXFCSA-N 1 2 349.394 0.778 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000979529231 747977765 /nfs/dbraw/zinc/97/77/65/747977765.db2.gz JHVFQWIKHONAIN-CTTHAOKLSA-N 1 2 344.415 0.506 20 30 ECEDLO CCCn1nnnc1C[N@H+](C)C1CCN(C(=O)C#CC2CC2)CC1 ZINC000985430246 747990730 /nfs/dbraw/zinc/99/07/30/747990730.db2.gz BYICIGQJZSGKNN-UHFFFAOYSA-N 1 2 330.436 0.919 20 30 ECEDLO CCCn1nnnc1C[N@@H+](C)C1CCN(C(=O)C#CC2CC2)CC1 ZINC000985430246 747990733 /nfs/dbraw/zinc/99/07/33/747990733.db2.gz BYICIGQJZSGKNN-UHFFFAOYSA-N 1 2 330.436 0.919 20 30 ECEDLO N#Cc1nccc(N2C[C@H]3CC[C@@H](C2)N3C(=O)CCc2c[nH]c[nH+]2)n1 ZINC001058811333 748005738 /nfs/dbraw/zinc/00/57/38/748005738.db2.gz LGTBMLZOJUHWQJ-OKILXGFUSA-N 1 2 337.387 0.884 20 30 ECEDLO N#Cc1nccc(N2C[C@H]3CC[C@@H](C2)N3C(=O)CCc2c[nH+]c[nH]2)n1 ZINC001058811333 748005741 /nfs/dbraw/zinc/00/57/41/748005741.db2.gz LGTBMLZOJUHWQJ-OKILXGFUSA-N 1 2 337.387 0.884 20 30 ECEDLO C[N@@H+](Cc1ccccc1C#N)C[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001029668400 748017530 /nfs/dbraw/zinc/01/75/30/748017530.db2.gz MWJBEZWYVXJBPG-AWEZNQCLSA-N 1 2 349.456 0.883 20 30 ECEDLO C[N@H+](Cc1ccccc1C#N)C[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001029668400 748017544 /nfs/dbraw/zinc/01/75/44/748017544.db2.gz MWJBEZWYVXJBPG-AWEZNQCLSA-N 1 2 349.456 0.883 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cnnn3CC)C2)C1=O ZINC001007282139 752253584 /nfs/dbraw/zinc/25/35/84/752253584.db2.gz WEGHVTUTNUKHRY-UONOGXRCSA-N 1 2 346.435 0.279 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cnnn3CC)C2)C1=O ZINC001007282139 752253593 /nfs/dbraw/zinc/25/35/93/752253593.db2.gz WEGHVTUTNUKHRY-UONOGXRCSA-N 1 2 346.435 0.279 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C)cc4cn[nH]c43)C2)nn1 ZINC001105344033 748267509 /nfs/dbraw/zinc/26/75/09/748267509.db2.gz ISTYQCXBPYUEGX-UHFFFAOYSA-N 1 2 349.398 0.883 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C)cc4c[nH]nc43)C2)nn1 ZINC001105344033 748267515 /nfs/dbraw/zinc/26/75/15/748267515.db2.gz ISTYQCXBPYUEGX-UHFFFAOYSA-N 1 2 349.398 0.883 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000985576660 748590015 /nfs/dbraw/zinc/59/00/15/748590015.db2.gz JLZBNXONXOMGJF-LSDHHAIUSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@H](NC(=O)Cn1cc[nH+]c1)C1CCN(c2ccc(C#N)nn2)CC1 ZINC001126744524 752284907 /nfs/dbraw/zinc/28/49/07/752284907.db2.gz OQPOMKVYWQCKAR-ZDUSSCGKSA-N 1 2 339.403 0.966 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)C3=NC(=O)N(C)C3)CC2)C1=O ZINC001003560864 748680917 /nfs/dbraw/zinc/68/09/17/748680917.db2.gz ZODFBHXJVCOCBO-CQSZACIVSA-N 1 2 347.419 0.107 20 30 ECEDLO Cc1nc(N(C)C)nc(N[C@H]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)[nH+]1 ZINC001059604350 748766995 /nfs/dbraw/zinc/76/69/95/748766995.db2.gz CLGABEGAFRWUFC-TXEJJXNPSA-N 1 2 340.391 0.819 20 30 ECEDLO C=CCOCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001051332492 761904427 /nfs/dbraw/zinc/90/44/27/761904427.db2.gz PMNXWGAMSXBZNO-LSDHHAIUSA-N 1 2 348.447 0.909 20 30 ECEDLO CN(CCCN(C)c1cnc(C#N)cn1)C(=O)CCc1c[nH]c[nH+]1 ZINC001112192615 748913680 /nfs/dbraw/zinc/91/36/80/748913680.db2.gz LARGXKYYTPMUAZ-UHFFFAOYSA-N 1 2 327.392 0.989 20 30 ECEDLO CN(CCCN(C)c1cnc(C#N)cn1)C(=O)CCc1c[nH+]c[nH]1 ZINC001112192615 748913684 /nfs/dbraw/zinc/91/36/84/748913684.db2.gz LARGXKYYTPMUAZ-UHFFFAOYSA-N 1 2 327.392 0.989 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001059648491 749108493 /nfs/dbraw/zinc/10/84/93/749108493.db2.gz UAWFPZVLUJTZGR-KGLIPLIRSA-N 1 2 332.404 0.345 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3cn[nH]c3)CC2)CC1 ZINC000985827184 749190043 /nfs/dbraw/zinc/19/00/43/749190043.db2.gz XFVDOPNCHVNPEI-UHFFFAOYSA-N 1 2 332.408 0.091 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@H](O)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001105806186 761942192 /nfs/dbraw/zinc/94/21/92/761942192.db2.gz RLZCKSBZIRHGFZ-SCLBCKFNSA-N 1 2 348.447 0.880 20 30 ECEDLO Cn1cnc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)cc1=O ZINC001004458759 749525540 /nfs/dbraw/zinc/52/55/40/749525540.db2.gz QOQDSJSBGCDWFV-HNNXBMFYSA-N 1 2 329.404 0.620 20 30 ECEDLO Cn1cnc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)cc1=O ZINC001004458759 749525544 /nfs/dbraw/zinc/52/55/44/749525544.db2.gz QOQDSJSBGCDWFV-HNNXBMFYSA-N 1 2 329.404 0.620 20 30 ECEDLO Cc1ccc(=O)n(CC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)n1 ZINC001004600083 749671333 /nfs/dbraw/zinc/67/13/33/749671333.db2.gz DNNYQRIDRGXPIC-INIZCTEOSA-N 1 2 343.431 0.778 20 30 ECEDLO Cc1ccc(=O)n(CC(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)n1 ZINC001004600083 749671340 /nfs/dbraw/zinc/67/13/40/749671340.db2.gz DNNYQRIDRGXPIC-INIZCTEOSA-N 1 2 343.431 0.778 20 30 ECEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 ZINC001004609506 749681599 /nfs/dbraw/zinc/68/15/99/749681599.db2.gz INAQHHXWVNVQTP-UONOGXRCSA-N 1 2 347.419 0.201 20 30 ECEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 ZINC001004609506 749681601 /nfs/dbraw/zinc/68/16/01/749681601.db2.gz INAQHHXWVNVQTP-UONOGXRCSA-N 1 2 347.419 0.201 20 30 ECEDLO C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001004666805 749742523 /nfs/dbraw/zinc/74/25/23/749742523.db2.gz AZURQIXGFZGQCJ-RISCZKNCSA-N 1 2 340.387 0.819 20 30 ECEDLO O=C(Cn1cnnn1)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000980681608 749952269 /nfs/dbraw/zinc/95/22/69/749952269.db2.gz YCKMYLBDTZDNSW-UHFFFAOYSA-N 1 2 342.378 0.398 20 30 ECEDLO O=C(Cn1cnnn1)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000980681608 749952272 /nfs/dbraw/zinc/95/22/72/749952272.db2.gz YCKMYLBDTZDNSW-UHFFFAOYSA-N 1 2 342.378 0.398 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@@H]2C1 ZINC000986499077 749978015 /nfs/dbraw/zinc/97/80/15/749978015.db2.gz TUJVMUSUFKIYSC-KFWWJZLASA-N 1 2 343.431 0.819 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3cnn(CC)c3)CC2)C1=O ZINC000980862558 750276868 /nfs/dbraw/zinc/27/68/68/750276868.db2.gz NZZBAORKEOXGKO-MRXNPFEDSA-N 1 2 345.447 0.838 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3cnn(CC)c3)CC2)C1=O ZINC000980862558 750276870 /nfs/dbraw/zinc/27/68/70/750276870.db2.gz NZZBAORKEOXGKO-MRXNPFEDSA-N 1 2 345.447 0.838 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(CC)nn3C)C2)nn1 ZINC001105348058 750371470 /nfs/dbraw/zinc/37/14/70/750371470.db2.gz UODGQHIDHMOEHB-UHFFFAOYSA-N 1 2 341.419 0.384 20 30 ECEDLO C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001005211215 750380930 /nfs/dbraw/zinc/38/09/30/750380930.db2.gz ZWJILNQJZCSWLB-SMDDNHRTSA-N 1 2 340.387 0.819 20 30 ECEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCNC1=O ZINC001028072275 750497226 /nfs/dbraw/zinc/49/72/26/750497226.db2.gz KDTWNLRAPJBKMR-QWRGUYRKSA-N 1 2 330.226 0.612 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCNC1=O ZINC001028072275 750497221 /nfs/dbraw/zinc/49/72/21/750497221.db2.gz KDTWNLRAPJBKMR-QWRGUYRKSA-N 1 2 330.226 0.612 20 30 ECEDLO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001005937592 750819792 /nfs/dbraw/zinc/81/97/92/750819792.db2.gz HMGOYHYOXXQTAF-LBPRGKRZSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001005945270 750829959 /nfs/dbraw/zinc/82/99/59/750829959.db2.gz MMMVAEQOYUXBCW-SNVBAGLBSA-N 1 2 326.360 0.429 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000987542518 750952427 /nfs/dbraw/zinc/95/24/27/750952427.db2.gz BAQZARYJBUBMJV-MFKMUULPSA-N 1 2 326.360 0.571 20 30 ECEDLO CC#CC[NH+]1CCC(N(C)C(=O)C2CCS(=O)(=O)CC2)CC1 ZINC001006089382 751006804 /nfs/dbraw/zinc/00/68/04/751006804.db2.gz YKYUMFTWCBICLH-UHFFFAOYSA-N 1 2 326.462 0.757 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001059829949 751162364 /nfs/dbraw/zinc/16/23/64/751162364.db2.gz HILWEDHKDAMXBI-YVECIDJPSA-N 1 2 337.387 0.366 20 30 ECEDLO CO[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212041654 752434997 /nfs/dbraw/zinc/43/49/97/752434997.db2.gz WZXZUOSQOKOSOS-KCPJHIHWSA-N 1 2 330.388 0.261 20 30 ECEDLO CO[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212041654 752435000 /nfs/dbraw/zinc/43/50/00/752435000.db2.gz WZXZUOSQOKOSOS-KCPJHIHWSA-N 1 2 330.388 0.261 20 30 ECEDLO CNC(=O)c1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C)C#N)[C@H](OC)C2)c1 ZINC001212045503 752439540 /nfs/dbraw/zinc/43/95/40/752439540.db2.gz PILQESPWUPFPDY-DAXOMENPSA-N 1 2 344.415 0.521 20 30 ECEDLO CNC(=O)c1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H](C)C#N)[C@H](OC)C2)c1 ZINC001212045503 752439543 /nfs/dbraw/zinc/43/95/43/752439543.db2.gz PILQESPWUPFPDY-DAXOMENPSA-N 1 2 344.415 0.521 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)nn(C)c3F)C2)nn1 ZINC001105367989 752467036 /nfs/dbraw/zinc/46/70/36/752467036.db2.gz LJJYFGRLYPOUHG-UHFFFAOYSA-N 1 2 345.382 0.269 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3Cc4cccnc4C3)C2)nn1 ZINC001105368153 752468388 /nfs/dbraw/zinc/46/83/88/752468388.db2.gz QFJOCLKTEWKPRN-CQSZACIVSA-N 1 2 336.399 0.194 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CC[C@@H]3CC(C)(C)CO3)C2)nn1 ZINC001105368439 752469224 /nfs/dbraw/zinc/46/92/24/752469224.db2.gz WVNRKIFOACJXMN-MRXNPFEDSA-N 1 2 345.447 0.980 20 30 ECEDLO N#Cc1cc(C(=O)N[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)c[nH]1 ZINC000937854006 752575321 /nfs/dbraw/zinc/57/53/21/752575321.db2.gz ZBOTVWVKFHARKI-ZDUSSCGKSA-N 1 2 326.360 0.573 20 30 ECEDLO N#Cc1cc(C(=O)N[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)c[nH]1 ZINC000937854006 752575326 /nfs/dbraw/zinc/57/53/26/752575326.db2.gz ZBOTVWVKFHARKI-ZDUSSCGKSA-N 1 2 326.360 0.573 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)Cc2cccs2)[C@H](OC)C1 ZINC001211764162 752662106 /nfs/dbraw/zinc/66/21/06/752662106.db2.gz ACLGPIBSTLYIBK-ZIAGYGMSSA-N 1 2 337.445 0.408 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)Cc2cccs2)[C@H](OC)C1 ZINC001211764162 752662110 /nfs/dbraw/zinc/66/21/10/752662110.db2.gz ACLGPIBSTLYIBK-ZIAGYGMSSA-N 1 2 337.445 0.408 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCc2ccoc2)[C@H](OC)C1 ZINC001212097170 752720636 /nfs/dbraw/zinc/72/06/36/752720636.db2.gz OTIVOXZTPUBXHH-FVQBIDKESA-N 1 2 347.415 0.166 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2ccoc2)[C@H](OC)C1 ZINC001212097170 752720639 /nfs/dbraw/zinc/72/06/39/752720639.db2.gz OTIVOXZTPUBXHH-FVQBIDKESA-N 1 2 347.415 0.166 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC[C@H](n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001098678993 752775332 /nfs/dbraw/zinc/77/53/32/752775332.db2.gz QDATXRYNLJBONL-OCCSQVGLSA-N 1 2 348.451 0.617 20 30 ECEDLO N#Cc1nccc(N[C@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)n1 ZINC001058993871 752781807 /nfs/dbraw/zinc/78/18/07/752781807.db2.gz PFJOLVAEPMHDIV-STQMWFEESA-N 1 2 337.387 0.242 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001007684365 752783636 /nfs/dbraw/zinc/78/36/36/752783636.db2.gz DMTSDVTZIQRJPC-NEPJUHHUSA-N 1 2 339.827 0.879 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001007684365 752783640 /nfs/dbraw/zinc/78/36/40/752783640.db2.gz DMTSDVTZIQRJPC-NEPJUHHUSA-N 1 2 339.827 0.879 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C(C)=C3CCC3)[C@@H](O)C2)C1=O ZINC001083452297 752785167 /nfs/dbraw/zinc/78/51/67/752785167.db2.gz CXBKWNTZVFEHOP-PMPSAXMXSA-N 1 2 333.432 0.435 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C(C)=C3CCC3)[C@@H](O)C2)C1=O ZINC001083452297 752785170 /nfs/dbraw/zinc/78/51/70/752785170.db2.gz CXBKWNTZVFEHOP-PMPSAXMXSA-N 1 2 333.432 0.435 20 30 ECEDLO N#Cc1cncc(N[C@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)n1 ZINC001058995454 752795133 /nfs/dbraw/zinc/79/51/33/752795133.db2.gz GYXWLYBDQLILLG-OLZOCXBDSA-N 1 2 337.387 0.820 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)CN(C(=O)CCc1[nH]cc[nH+]1)CCO2 ZINC001007712181 752846829 /nfs/dbraw/zinc/84/68/29/752846829.db2.gz NELAXHFVWYOARM-GUYCJALGSA-N 1 2 345.403 0.332 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C(=O)C(C)(C)C)C1 ZINC000982547589 752862095 /nfs/dbraw/zinc/86/20/95/752862095.db2.gz LLUOORKURJFMSN-GJZGRUSLSA-N 1 2 347.459 0.664 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C(=O)C(C)(C)C)C1 ZINC000982547589 752862101 /nfs/dbraw/zinc/86/21/01/752862101.db2.gz LLUOORKURJFMSN-GJZGRUSLSA-N 1 2 347.459 0.664 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000938077972 752879333 /nfs/dbraw/zinc/87/93/33/752879333.db2.gz JQEBXFKVMRDFBT-HNNXBMFYSA-N 1 2 340.427 0.892 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cnn(C)n2)C1 ZINC001028549803 753111730 /nfs/dbraw/zinc/11/17/30/753111730.db2.gz YMBLQZKRNHHRIK-IMJJTQAJSA-N 1 2 333.436 0.734 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cnn(C)n2)C1 ZINC001028549803 753111736 /nfs/dbraw/zinc/11/17/36/753111736.db2.gz YMBLQZKRNHHRIK-IMJJTQAJSA-N 1 2 333.436 0.734 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001008178978 753428669 /nfs/dbraw/zinc/42/86/69/753428669.db2.gz SBEQSESLQKPKHO-CVEARBPZSA-N 1 2 326.400 0.775 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001008178978 753428670 /nfs/dbraw/zinc/42/86/70/753428670.db2.gz SBEQSESLQKPKHO-CVEARBPZSA-N 1 2 326.400 0.775 20 30 ECEDLO CCc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)[nH]n1 ZINC001083346334 753623596 /nfs/dbraw/zinc/62/35/96/753623596.db2.gz FBPRXJWCMYGCMB-CABCVRRESA-N 1 2 345.428 0.880 20 30 ECEDLO CCc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)[nH]n1 ZINC001083346334 753623600 /nfs/dbraw/zinc/62/36/00/753623600.db2.gz FBPRXJWCMYGCMB-CABCVRRESA-N 1 2 345.428 0.880 20 30 ECEDLO CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001105493764 753738712 /nfs/dbraw/zinc/73/87/12/753738712.db2.gz OCLQKJMSJXYMGJ-ZDUSSCGKSA-N 1 2 339.403 0.702 20 30 ECEDLO C=CCO[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001059972436 753743042 /nfs/dbraw/zinc/74/30/42/753743042.db2.gz MORHOQUQJKZYRR-LSDHHAIUSA-N 1 2 348.447 0.909 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCC[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001059973369 753761737 /nfs/dbraw/zinc/76/17/37/753761737.db2.gz WCCCUUPQDYHXFW-KSSFIOAISA-N 1 2 348.447 0.645 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001014099874 762245407 /nfs/dbraw/zinc/24/54/07/762245407.db2.gz DCQLWJZKXVTTEL-IINYFYTJSA-N 1 2 326.360 0.571 20 30 ECEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)ccc1F ZINC001008547146 753897916 /nfs/dbraw/zinc/89/79/16/753897916.db2.gz NBGPJSJSBAOELO-KFWWJZLASA-N 1 2 344.390 0.899 20 30 ECEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)ccc1F ZINC001008547146 753897924 /nfs/dbraw/zinc/89/79/24/753897924.db2.gz NBGPJSJSBAOELO-KFWWJZLASA-N 1 2 344.390 0.899 20 30 ECEDLO COCCN(CCNC(=O)Cc1[nH]cc[nH+]1)c1ccc(C#N)nc1 ZINC001126394309 753938071 /nfs/dbraw/zinc/93/80/71/753938071.db2.gz BJPJYVKTKQCNES-UHFFFAOYSA-N 1 2 328.376 0.488 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC001014102669 762255666 /nfs/dbraw/zinc/25/56/66/762255666.db2.gz OQLMFUPRZFIMTN-YPMHNXCESA-N 1 2 343.391 0.149 20 30 ECEDLO CC1(C)CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001008653994 753995484 /nfs/dbraw/zinc/99/54/84/753995484.db2.gz ZXSHCQHLTTVWFW-AWEZNQCLSA-N 1 2 340.387 0.819 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N(C)CCN(C)c1ccc(C#N)nn1 ZINC001105602157 754028929 /nfs/dbraw/zinc/02/89/29/754028929.db2.gz KJCQMUPIGDQTIZ-UHFFFAOYSA-N 1 2 340.387 0.889 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+]([C@H]3CCN(CC)C3=O)CC2)nc1 ZINC000989512776 754064107 /nfs/dbraw/zinc/06/41/07/754064107.db2.gz SMMWKMNBOAGDPD-KRWDZBQOSA-N 1 2 340.427 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@H+]([C@H]3CCN(CC)C3=O)CC2)nc1 ZINC000989512776 754064113 /nfs/dbraw/zinc/06/41/13/754064113.db2.gz SMMWKMNBOAGDPD-KRWDZBQOSA-N 1 2 340.427 0.832 20 30 ECEDLO C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC000989569848 754127925 /nfs/dbraw/zinc/12/79/25/754127925.db2.gz YBLBXYYJFPENDE-NEPJUHHUSA-N 1 2 330.392 0.226 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCC3)C2)nn1 ZINC001008813582 754146041 /nfs/dbraw/zinc/14/60/41/754146041.db2.gz GRJBSQAGHMSLRT-AWEZNQCLSA-N 1 2 346.435 0.281 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N3CCC3)C2)nn1 ZINC001008813582 754146044 /nfs/dbraw/zinc/14/60/44/754146044.db2.gz GRJBSQAGHMSLRT-AWEZNQCLSA-N 1 2 346.435 0.281 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CCC[N@H+](CC(=O)NC3CC3)C2)nn1 ZINC001008817273 754152255 /nfs/dbraw/zinc/15/22/55/754152255.db2.gz YJORSLYLORGQSM-AWEZNQCLSA-N 1 2 346.435 0.327 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NC3CC3)C2)nn1 ZINC001008817273 754152261 /nfs/dbraw/zinc/15/22/61/754152261.db2.gz YJORSLYLORGQSM-AWEZNQCLSA-N 1 2 346.435 0.327 20 30 ECEDLO Cc1nnc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)o1 ZINC001051523977 762275655 /nfs/dbraw/zinc/27/56/55/762275655.db2.gz NTRSCGATHMFCGH-ZWNOBZJWSA-N 1 2 344.375 0.770 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001008838669 754183330 /nfs/dbraw/zinc/18/33/30/754183330.db2.gz LZNOEPVDZJZYDP-JMJZKYOTSA-N 1 2 343.309 0.617 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000983019786 754446657 /nfs/dbraw/zinc/44/66/57/754446657.db2.gz NBMRCPLJIXAHLB-BMFZPTHFSA-N 1 2 346.431 0.518 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)[nH]1 ZINC000983035026 754480308 /nfs/dbraw/zinc/48/03/08/754480308.db2.gz YZHAYMVQWSNXOW-CYBMUJFWSA-N 1 2 340.387 0.751 20 30 ECEDLO Cn1ncc(C[N@@H+]2CC[C@@]3(NC(=O)c4cc(C#N)c[nH]4)CCC[C@@H]23)n1 ZINC000990158876 754784831 /nfs/dbraw/zinc/78/48/31/754784831.db2.gz AVUFZGPTWDWSDN-WBVHZDCISA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1ncc(C[N@H+]2CC[C@@]3(NC(=O)c4cc(C#N)c[nH]4)CCC[C@@H]23)n1 ZINC000990158876 754784833 /nfs/dbraw/zinc/78/48/33/754784833.db2.gz AVUFZGPTWDWSDN-WBVHZDCISA-N 1 2 339.403 0.942 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N2CC[C@H](Nc3ccnc(C#N)n3)C2)c[nH+]1 ZINC001059104074 754877750 /nfs/dbraw/zinc/87/77/50/754877750.db2.gz YKYSNBJGHUNBCA-ZDUSSCGKSA-N 1 2 339.403 0.723 20 30 ECEDLO Cn1cnnc1C[N@@H+]1CC[C@]2(NC(=O)c3c[nH]c(C#N)c3)CCC[C@H]12 ZINC000990268051 754910624 /nfs/dbraw/zinc/91/06/24/754910624.db2.gz UXXCSRDUYPIACT-WMLDXEAASA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1cnnc1C[N@H+]1CC[C@]2(NC(=O)c3c[nH]c(C#N)c3)CCC[C@H]12 ZINC000990268051 754910627 /nfs/dbraw/zinc/91/06/27/754910627.db2.gz UXXCSRDUYPIACT-WMLDXEAASA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1cc(C[N@@H+]2CC[C@]3(NC(=O)c4c[nH]c(C#N)c4)CCC[C@@H]23)nn1 ZINC000990288448 754925897 /nfs/dbraw/zinc/92/58/97/754925897.db2.gz LNDIBCGGBSZXBG-NVXWUHKLSA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1cc(C[N@H+]2CC[C@]3(NC(=O)c4c[nH]c(C#N)c4)CCC[C@@H]23)nn1 ZINC000990288448 754925899 /nfs/dbraw/zinc/92/58/99/754925899.db2.gz LNDIBCGGBSZXBG-NVXWUHKLSA-N 1 2 339.403 0.942 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H]2C)c1 ZINC000990433842 755171987 /nfs/dbraw/zinc/17/19/87/755171987.db2.gz WZRWUHTXCWXHIC-WBMJQRKESA-N 1 2 337.383 0.748 20 30 ECEDLO C#CCNC(=O)CC(=O)N[C@@H]1CCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC001105662697 755395089 /nfs/dbraw/zinc/39/50/89/755395089.db2.gz DRYNJRWOXZOGBS-UONOGXRCSA-N 1 2 329.404 0.621 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@H](Nc2ccnc(C#N)n2)C1 ZINC001059127398 755396144 /nfs/dbraw/zinc/39/61/44/755396144.db2.gz LDECCKGQSJUNRZ-LBPRGKRZSA-N 1 2 325.376 0.149 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](C)n3cccc3)C2)nn1 ZINC001098656685 755690138 /nfs/dbraw/zinc/69/01/38/755690138.db2.gz QWPCMMRATWTAGK-ZBFHGGJFSA-N 1 2 326.404 0.837 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@@H]3COC(=O)C3)C2)nn1 ZINC001098657239 755706314 /nfs/dbraw/zinc/70/63/14/755706314.db2.gz UFPXUWDJYGSYOH-ZFWWWQNUSA-N 1 2 345.403 0.118 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccnn3CC)C2)nn1 ZINC001098659511 755830455 /nfs/dbraw/zinc/83/04/55/755830455.db2.gz QZPIDQJGBYUUJJ-CQSZACIVSA-N 1 2 327.392 0.305 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3COCCO3)C2)c(F)c1 ZINC001010258421 755896189 /nfs/dbraw/zinc/89/61/89/755896189.db2.gz UAUJSAMPZBNMTP-GDBMZVCRSA-N 1 2 333.363 0.803 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3COCCO3)C2)c(F)c1 ZINC001010258421 755896192 /nfs/dbraw/zinc/89/61/92/755896192.db2.gz UAUJSAMPZBNMTP-GDBMZVCRSA-N 1 2 333.363 0.803 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccn(C)n4)C[C@H]32)nn1 ZINC001076335900 756377082 /nfs/dbraw/zinc/37/70/82/756377082.db2.gz AUJMPOIJWHMTLR-XJKSGUPXSA-N 1 2 341.419 0.544 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccn(C)n4)C[C@H]32)nn1 ZINC001076335900 756377087 /nfs/dbraw/zinc/37/70/87/756377087.db2.gz AUJMPOIJWHMTLR-XJKSGUPXSA-N 1 2 341.419 0.544 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(OC)no3)C2)C1=O ZINC001010698627 756414224 /nfs/dbraw/zinc/41/42/24/756414224.db2.gz BWQFZXFWZWSKEO-NEPJUHHUSA-N 1 2 334.376 0.274 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cc(OC)no3)C2)C1=O ZINC001010698627 756414228 /nfs/dbraw/zinc/41/42/28/756414228.db2.gz BWQFZXFWZWSKEO-NEPJUHHUSA-N 1 2 334.376 0.274 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001076495807 756566881 /nfs/dbraw/zinc/56/68/81/756566881.db2.gz PSVKXPPMOBCIEK-JSGCOSHPSA-N 1 2 349.435 0.434 20 30 ECEDLO Cn1cnc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)n1 ZINC001010878042 756634487 /nfs/dbraw/zinc/63/44/87/756634487.db2.gz QVZGYNOIZZHBHE-ZDUSSCGKSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)n1 ZINC001010878042 756634488 /nfs/dbraw/zinc/63/44/88/756634488.db2.gz QVZGYNOIZZHBHE-ZDUSSCGKSA-N 1 2 328.351 0.830 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000990894411 756740087 /nfs/dbraw/zinc/74/00/87/756740087.db2.gz WRUFDDBWHCFHPZ-JTQLQIEISA-N 1 2 326.360 0.429 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000990894411 756740091 /nfs/dbraw/zinc/74/00/91/756740091.db2.gz WRUFDDBWHCFHPZ-JTQLQIEISA-N 1 2 326.360 0.429 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3CCOCC3)C2)cc1F ZINC001076667957 756807772 /nfs/dbraw/zinc/80/77/72/756807772.db2.gz SOBNLDHVKYPIMN-IAGOWNOFSA-N 1 2 347.390 0.785 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CCOCC3)C2)cc1F ZINC001076667957 756807775 /nfs/dbraw/zinc/80/77/75/756807775.db2.gz SOBNLDHVKYPIMN-IAGOWNOFSA-N 1 2 347.390 0.785 20 30 ECEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)[C@@H]2C)CC1 ZINC001088835105 756829829 /nfs/dbraw/zinc/82/98/29/756829829.db2.gz DYUUAIGIMLREFY-OCCSQVGLSA-N 1 2 333.436 0.934 20 30 ECEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)[C@@H]2C)CC1 ZINC001088835105 756829833 /nfs/dbraw/zinc/82/98/33/756829833.db2.gz DYUUAIGIMLREFY-OCCSQVGLSA-N 1 2 333.436 0.934 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(F)cc3)C2)C1=O ZINC001076679657 756834272 /nfs/dbraw/zinc/83/42/72/756834272.db2.gz IJYGDYUMRXUQNZ-OWCLPIDISA-N 1 2 347.390 0.388 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(F)cc3)C2)C1=O ZINC001076679657 756834278 /nfs/dbraw/zinc/83/42/78/756834278.db2.gz IJYGDYUMRXUQNZ-OWCLPIDISA-N 1 2 347.390 0.388 20 30 ECEDLO O=C(C#CC1CC1)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001011109035 756938677 /nfs/dbraw/zinc/93/86/77/756938677.db2.gz KJEZJOLTIDVQOP-UHFFFAOYSA-N 1 2 349.394 0.965 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc[nH]3)C2)cc1C#N ZINC001076736378 756940688 /nfs/dbraw/zinc/94/06/88/756940688.db2.gz QKEJQLRXXYGITB-HZPDHXFCSA-N 1 2 340.383 0.870 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc[nH]3)C2)cc1C#N ZINC001076736378 756940695 /nfs/dbraw/zinc/94/06/95/756940695.db2.gz QKEJQLRXXYGITB-HZPDHXFCSA-N 1 2 340.383 0.870 20 30 ECEDLO N#Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cccn3)C2)ccc1F ZINC001076742078 756960101 /nfs/dbraw/zinc/96/01/01/756960101.db2.gz ZLDMRMDPNRDDBD-HZPDHXFCSA-N 1 2 343.362 0.255 20 30 ECEDLO N#Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cccn3)C2)ccc1F ZINC001076742078 756960109 /nfs/dbraw/zinc/96/01/09/756960109.db2.gz ZLDMRMDPNRDDBD-HZPDHXFCSA-N 1 2 343.362 0.255 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1c1ccnc(C#N)n1 ZINC001048796788 757028475 /nfs/dbraw/zinc/02/84/75/757028475.db2.gz FRRAUKKHNXEXDZ-NWDGAFQWSA-N 1 2 325.376 0.788 20 30 ECEDLO C=CCOCC(=O)NCc1cn(C2C[NH+](CCOC(C)C)C2)nn1 ZINC001107147248 757044733 /nfs/dbraw/zinc/04/47/33/757044733.db2.gz WHVYSGLRAISXKN-UHFFFAOYSA-N 1 2 337.424 0.379 20 30 ECEDLO CS(=O)(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CSCC#N)C1 ZINC001111600613 762516605 /nfs/dbraw/zinc/51/66/05/762516605.db2.gz YTQDBUQJUFBNJD-JSGCOSHPSA-N 1 2 345.490 0.258 20 30 ECEDLO CS(=O)(=O)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CSCC#N)C1 ZINC001111600613 762516610 /nfs/dbraw/zinc/51/66/10/762516610.db2.gz YTQDBUQJUFBNJD-JSGCOSHPSA-N 1 2 345.490 0.258 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@@H]2C[N@@H+](Cc3nnc(C4CC4)[nH]3)C[C@@H]2C1 ZINC001048810834 757069414 /nfs/dbraw/zinc/06/94/14/757069414.db2.gz UGSNIZYFSIQXQZ-GASCZTMLSA-N 1 2 325.416 0.986 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@@H]2C[N@H+](Cc3nnc(C4CC4)[nH]3)C[C@@H]2C1 ZINC001048810834 757069426 /nfs/dbraw/zinc/06/94/26/757069426.db2.gz UGSNIZYFSIQXQZ-GASCZTMLSA-N 1 2 325.416 0.986 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)nn1C ZINC001076783515 757109238 /nfs/dbraw/zinc/10/92/38/757109238.db2.gz CFEQYMHTJZYTAF-IAGOWNOFSA-N 1 2 339.399 0.575 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)nn1C ZINC001076783515 757109245 /nfs/dbraw/zinc/10/92/45/757109245.db2.gz CFEQYMHTJZYTAF-IAGOWNOFSA-N 1 2 339.399 0.575 20 30 ECEDLO C=CCOCCCC(=O)NCc1cn(C2C[NH+](CCOC)C2)nn1 ZINC001107152998 757111655 /nfs/dbraw/zinc/11/16/55/757111655.db2.gz NPWJYJZHLMEKJS-UHFFFAOYSA-N 1 2 337.424 0.380 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[C@H]3COC(=O)C3)nn2)C1 ZINC001107157272 757144866 /nfs/dbraw/zinc/14/48/66/757144866.db2.gz MNBHHWBTMXHZDD-GFCCVEGCSA-N 1 2 333.392 0.280 20 30 ECEDLO C#CCCCC(=O)NCc1cn(C2C[NH+](CCOC(C)C)C2)nn1 ZINC001107164503 757165218 /nfs/dbraw/zinc/16/52/18/757165218.db2.gz CSQWPISKEJUUAE-UHFFFAOYSA-N 1 2 333.436 0.980 20 30 ECEDLO Cc1nn(C)cc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076805297 757202038 /nfs/dbraw/zinc/20/20/38/757202038.db2.gz AVSJSTHPEGEDRF-IAGOWNOFSA-N 1 2 339.399 0.575 20 30 ECEDLO Cc1nn(C)cc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076805297 757202046 /nfs/dbraw/zinc/20/20/46/757202046.db2.gz AVSJSTHPEGEDRF-IAGOWNOFSA-N 1 2 339.399 0.575 20 30 ECEDLO C[C@@H](CC(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)n1cc[nH+]c1 ZINC001048866415 757228177 /nfs/dbraw/zinc/22/81/77/757228177.db2.gz OTSOTRCOCVCSIQ-BPUTZDHNSA-N 1 2 344.415 0.278 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3n[nH]cc3C)nn2)C1 ZINC001107167983 757236639 /nfs/dbraw/zinc/23/66/39/757236639.db2.gz OVSCGRFLDKTLLE-UHFFFAOYSA-N 1 2 345.407 0.299 20 30 ECEDLO O=C(Cc1ccon1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001076818637 757246662 /nfs/dbraw/zinc/24/66/62/757246662.db2.gz FZSXCGRQALRTIN-IAGOWNOFSA-N 1 2 325.368 0.430 20 30 ECEDLO O=C(Cc1ccon1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001076818637 757246666 /nfs/dbraw/zinc/24/66/66/757246666.db2.gz FZSXCGRQALRTIN-IAGOWNOFSA-N 1 2 325.368 0.430 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)[C@H](C)COC)nn2)C1 ZINC001107179835 757296890 /nfs/dbraw/zinc/29/68/90/757296890.db2.gz SZJBXXCIWWXESF-KGLIPLIRSA-N 1 2 333.436 0.693 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@]3(C)CCNC(=O)C3)nn2)C1 ZINC001107181759 757315300 /nfs/dbraw/zinc/31/53/00/757315300.db2.gz HFSAYOBFPKAKRB-KRWDZBQOSA-N 1 2 346.435 0.243 20 30 ECEDLO C#CCOc1ccc(C(=O)NC2CN(C(=O)Cn3cc[nH+]c3)C2)cc1 ZINC000991663903 762540052 /nfs/dbraw/zinc/54/00/52/762540052.db2.gz YHWZNYSAWCXPJP-UHFFFAOYSA-N 1 2 338.367 0.536 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCCNC(=O)C3CC3)nn2)C1 ZINC001107178315 757334139 /nfs/dbraw/zinc/33/41/39/757334139.db2.gz RQFVXPBOKHQKTC-UHFFFAOYSA-N 1 2 346.435 0.243 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)Cn3cc(C4CC4)cn3)nn2)C1 ZINC001107183815 757392382 /nfs/dbraw/zinc/39/23/82/757392382.db2.gz UPGOYVRGTXWWEP-UHFFFAOYSA-N 1 2 341.419 0.711 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3cscc3C)C2)C1=O ZINC001076857729 757402651 /nfs/dbraw/zinc/40/26/51/757402651.db2.gz XCIUQDHUEBYSAW-QLFBSQMISA-N 1 2 349.456 0.618 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cscc3C)C2)C1=O ZINC001076857729 757402656 /nfs/dbraw/zinc/40/26/56/757402656.db2.gz XCIUQDHUEBYSAW-QLFBSQMISA-N 1 2 349.456 0.618 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3cscc3C)C2)C1=O ZINC001076857730 757404458 /nfs/dbraw/zinc/40/44/58/757404458.db2.gz XCIUQDHUEBYSAW-RBSFLKMASA-N 1 2 349.456 0.618 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cscc3C)C2)C1=O ZINC001076857730 757404461 /nfs/dbraw/zinc/40/44/61/757404461.db2.gz XCIUQDHUEBYSAW-RBSFLKMASA-N 1 2 349.456 0.618 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001048917051 757404923 /nfs/dbraw/zinc/40/49/23/757404923.db2.gz ZPIKTBZFKZFMAG-SNPRPXQTSA-N 1 2 348.447 0.831 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001048917051 757404932 /nfs/dbraw/zinc/40/49/32/757404932.db2.gz ZPIKTBZFKZFMAG-SNPRPXQTSA-N 1 2 348.447 0.831 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)Cn3nc(C)cc3C)nn2)C1 ZINC001107184345 757416822 /nfs/dbraw/zinc/41/68/22/757416822.db2.gz JTMROBQHYIMWTP-UHFFFAOYSA-N 1 2 329.408 0.451 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[C@@H](C)CO3)nn2)C1 ZINC001107187833 757418591 /nfs/dbraw/zinc/41/85/91/757418591.db2.gz KAFSTPWFFLYOEZ-CZUORRHYSA-N 1 2 349.435 0.379 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCNC(=O)C(C)(C)C)nn2)C1 ZINC001107190782 757440153 /nfs/dbraw/zinc/44/01/53/757440153.db2.gz BYFZLLDPJJTLME-UHFFFAOYSA-N 1 2 348.451 0.489 20 30 ECEDLO Cn1ccc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]2O)c1 ZINC001076880454 757440917 /nfs/dbraw/zinc/44/09/17/757440917.db2.gz LAWJEZWUIINCAN-QZTJIDSGSA-N 1 2 341.386 0.991 20 30 ECEDLO Cn1ccc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]2O)c1 ZINC001076880454 757440924 /nfs/dbraw/zinc/44/09/24/757440924.db2.gz LAWJEZWUIINCAN-QZTJIDSGSA-N 1 2 341.386 0.991 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCN(C(=O)[C@@H](C)C#N)CC1)C2 ZINC001011304875 757464046 /nfs/dbraw/zinc/46/40/46/757464046.db2.gz NZWNVVSVBVYAOU-AAEUAGOBSA-N 1 2 329.404 0.654 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCN(C(=O)[C@@H](C)C#N)CC1)CC2 ZINC001011304875 757464048 /nfs/dbraw/zinc/46/40/48/757464048.db2.gz NZWNVVSVBVYAOU-AAEUAGOBSA-N 1 2 329.404 0.654 20 30 ECEDLO Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)s1 ZINC001076906297 757559068 /nfs/dbraw/zinc/55/90/68/757559068.db2.gz UPTJQJVGDRJWDI-ZIAGYGMSSA-N 1 2 331.401 0.626 20 30 ECEDLO Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)s1 ZINC001076906297 757559072 /nfs/dbraw/zinc/55/90/72/757559072.db2.gz UPTJQJVGDRJWDI-ZIAGYGMSSA-N 1 2 331.401 0.626 20 30 ECEDLO C=CCCCC(=O)NCc1cn(C2C[NH+](C[C@@H](O)COC)C2)nn1 ZINC001107199558 757588143 /nfs/dbraw/zinc/58/81/43/757588143.db2.gz MHELXEDSQMINQK-OAHLLOKOSA-N 1 2 337.424 0.115 20 30 ECEDLO C#CCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001049001025 757655226 /nfs/dbraw/zinc/65/52/26/757655226.db2.gz ZBYZTKTYZFHEKZ-HOTGVXAUSA-N 1 2 346.431 0.566 20 30 ECEDLO C#CCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001049001025 757655230 /nfs/dbraw/zinc/65/52/30/757655230.db2.gz ZBYZTKTYZFHEKZ-HOTGVXAUSA-N 1 2 346.431 0.566 20 30 ECEDLO Cc1ccnc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)n1 ZINC001076938055 757681547 /nfs/dbraw/zinc/68/15/47/757681547.db2.gz KWDANJAKOKVFFX-HZPDHXFCSA-N 1 2 337.383 0.632 20 30 ECEDLO Cc1ccnc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)n1 ZINC001076938055 757681551 /nfs/dbraw/zinc/68/15/51/757681551.db2.gz KWDANJAKOKVFFX-HZPDHXFCSA-N 1 2 337.383 0.632 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@H+](Cc4nnc(C)[nH]4)C[C@@H]3C2)c1 ZINC001049047638 757775320 /nfs/dbraw/zinc/77/53/20/757775320.db2.gz OFKZNNHKNVZJRO-IYBDPMFKSA-N 1 2 336.399 0.693 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+](Cc4nnc(C)[nH]4)C[C@@H]3C2)c1 ZINC001049047638 757775329 /nfs/dbraw/zinc/77/53/29/757775329.db2.gz OFKZNNHKNVZJRO-IYBDPMFKSA-N 1 2 336.399 0.693 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@H]3CC34CC4)nn2)C1 ZINC001107214538 757780401 /nfs/dbraw/zinc/78/04/01/757780401.db2.gz XCGPNUDYYLPJBH-OAHLLOKOSA-N 1 2 331.420 0.754 20 30 ECEDLO C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127737170 757833552 /nfs/dbraw/zinc/83/35/52/757833552.db2.gz LOXZEVPOCHEWHL-LLVKDONJSA-N 1 2 325.306 0.793 20 30 ECEDLO C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H](F)C(F)(F)F ZINC001127737170 757833567 /nfs/dbraw/zinc/83/35/67/757833567.db2.gz LOXZEVPOCHEWHL-LLVKDONJSA-N 1 2 325.306 0.793 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)Cc3ccco3)nn2)C1 ZINC001107222566 757892263 /nfs/dbraw/zinc/89/22/63/757892263.db2.gz OILDABZCTWBJNZ-UHFFFAOYSA-N 1 2 345.403 0.789 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@H]1O ZINC001077019026 757950169 /nfs/dbraw/zinc/95/01/69/757950169.db2.gz JDNKOIILYLFGIN-FPCVCCKLSA-N 1 2 349.431 0.934 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@H]1O ZINC001077019026 757950173 /nfs/dbraw/zinc/95/01/73/757950173.db2.gz JDNKOIILYLFGIN-FPCVCCKLSA-N 1 2 349.431 0.934 20 30 ECEDLO CC#CCN1CC(n2cc(CNC(=O)Cc3[nH]c[nH+]c3C)nn2)C1 ZINC001107233661 757976662 /nfs/dbraw/zinc/97/66/62/757976662.db2.gz NZIWBXZPRKQIOB-UHFFFAOYSA-N 1 2 327.392 0.049 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C[C@H]3CCCCC(=O)N3)nn2)C1 ZINC001107233825 757976751 /nfs/dbraw/zinc/97/67/51/757976751.db2.gz QUKNFEITUZLDEZ-CYBMUJFWSA-N 1 2 346.435 0.386 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H](C)c3cnn(C)c3)nn2)C1 ZINC001107243710 758003703 /nfs/dbraw/zinc/00/37/03/758003703.db2.gz GPMDBLHBYNIETC-CYBMUJFWSA-N 1 2 343.435 0.864 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CC[C@]3(C)CCC(=O)N3)nn2)C1 ZINC001107241141 758043299 /nfs/dbraw/zinc/04/32/99/758043299.db2.gz OEYZWHYEZQJDGR-QGZVFWFLSA-N 1 2 346.435 0.386 20 30 ECEDLO CC#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001049126004 758047808 /nfs/dbraw/zinc/04/78/08/758047808.db2.gz NKQPPOYVLDHBRD-HOTGVXAUSA-N 1 2 346.431 0.497 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(Br)c2)C1 ZINC001077089769 758159276 /nfs/dbraw/zinc/15/92/76/758159276.db2.gz CKVAICIUQPSBPN-GHMZBOCLSA-N 1 2 327.178 0.840 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(Br)c2)C1 ZINC001077089769 758159281 /nfs/dbraw/zinc/15/92/81/758159281.db2.gz CKVAICIUQPSBPN-GHMZBOCLSA-N 1 2 327.178 0.840 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1O ZINC001049159863 758172676 /nfs/dbraw/zinc/17/26/76/758172676.db2.gz ULZVCSFZTWIEKT-GJZGRUSLSA-N 1 2 348.447 0.906 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@@H]1C ZINC001011670136 758261160 /nfs/dbraw/zinc/26/11/60/758261160.db2.gz YNWWFMXJJKLOTQ-BXUZGUMPSA-N 1 2 340.387 0.880 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)Cc1c[nH+]ccc1OC ZINC001077146744 758326065 /nfs/dbraw/zinc/32/60/65/758326065.db2.gz ZVMHZEKZHGJIJO-SCLBCKFNSA-N 1 2 349.431 0.971 20 30 ECEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)[C@@H](C)OC)CC2)C1 ZINC001105690676 758382525 /nfs/dbraw/zinc/38/25/25/758382525.db2.gz WPKDJBUXRNJXHJ-CQSZACIVSA-N 1 2 326.437 0.916 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2nnc(C)[nH]2)C1 ZINC001022220592 758441033 /nfs/dbraw/zinc/44/10/33/758441033.db2.gz KYIXSCQMONIZFK-MHEUCROKSA-N 1 2 330.436 0.509 20 30 ECEDLO N#Cc1cnccc1NC/C=C\CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001107394792 758453274 /nfs/dbraw/zinc/45/32/74/758453274.db2.gz POVULXZYTWCRRT-DDGIKZQJSA-N 1 2 336.399 0.919 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1O ZINC001049274922 758464772 /nfs/dbraw/zinc/46/47/72/758464772.db2.gz FBQWAXUYUSCGFN-BPUTZDHNSA-N 1 2 348.447 0.975 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1O ZINC001049274922 758464779 /nfs/dbraw/zinc/46/47/79/758464779.db2.gz FBQWAXUYUSCGFN-BPUTZDHNSA-N 1 2 348.447 0.975 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C4CC4)CC3)C2)C1=O ZINC001077190754 758467500 /nfs/dbraw/zinc/46/75/00/758467500.db2.gz MRHPQWBZXPAOLK-RBSFLKMASA-N 1 2 333.432 0.125 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C4CC4)CC3)C2)C1=O ZINC001077190754 758467506 /nfs/dbraw/zinc/46/75/06/758467506.db2.gz MRHPQWBZXPAOLK-RBSFLKMASA-N 1 2 333.432 0.125 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001011855950 758775041 /nfs/dbraw/zinc/77/50/41/758775041.db2.gz LETAUEJBJNWGAQ-WCQYABFASA-N 1 2 326.360 0.502 20 30 ECEDLO C#CCCCC(=O)N1CC[C@H](n2cc(C[NH2+][C@H](C)C(=O)NC)nn2)C1 ZINC001098669209 758824730 /nfs/dbraw/zinc/82/47/30/758824730.db2.gz KGWXVGVINAZFIQ-HIFRSBDPSA-N 1 2 346.435 0.079 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3cccc(Cl)c23)C1 ZINC001077353615 758890782 /nfs/dbraw/zinc/89/07/82/758890782.db2.gz VVKXLMHCXGCXCQ-ZIAGYGMSSA-N 1 2 332.791 0.786 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3cccc(Cl)c23)C1 ZINC001077353615 758890789 /nfs/dbraw/zinc/89/07/89/758890789.db2.gz VVKXLMHCXGCXCQ-ZIAGYGMSSA-N 1 2 332.791 0.786 20 30 ECEDLO CN(C(=O)CCc1c[nH+]cn1C)C1CC(Nc2ccnc(C#N)n2)C1 ZINC001126987808 759082129 /nfs/dbraw/zinc/08/21/29/759082129.db2.gz PQVPZLVUDFGCRD-UHFFFAOYSA-N 1 2 339.403 0.538 20 30 ECEDLO C=C(Cl)CN1C[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)[C@@H](O)C1 ZINC001083583693 759095043 /nfs/dbraw/zinc/09/50/43/759095043.db2.gz NZSYPNZSUKTCLV-GLQYFDAESA-N 1 2 338.839 0.737 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](C[C@H]2CCc3ncnn32)C1 ZINC001031090100 767853095 /nfs/dbraw/zinc/85/30/95/767853095.db2.gz YMBVRLIAEBPRIG-YCPHGPKFSA-N 1 2 331.420 0.547 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2ccc(C)o2)[C@H](OC)C1 ZINC001212136941 759714802 /nfs/dbraw/zinc/71/48/02/759714802.db2.gz SENKVEUWNKNLLT-FVQBIDKESA-N 1 2 347.415 0.084 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2ccc(C)o2)[C@H](OC)C1 ZINC001212136941 759714809 /nfs/dbraw/zinc/71/48/09/759714809.db2.gz SENKVEUWNKNLLT-FVQBIDKESA-N 1 2 347.415 0.084 20 30 ECEDLO C#CCOCCC(=O)NCC[NH2+]Cc1nnc([C@@H]2CCCOC2)o1 ZINC001127031546 760021301 /nfs/dbraw/zinc/02/13/01/760021301.db2.gz HNPRXTQZRJXFNM-CYBMUJFWSA-N 1 2 336.392 0.209 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[NH+](CC(=O)Nc1ccon1)CC2 ZINC001050460202 760301164 /nfs/dbraw/zinc/30/11/64/760301164.db2.gz TUJBZRDNUPJXCO-LBPRGKRZSA-N 1 2 331.376 0.697 20 30 ECEDLO COCCc1noc(C[NH+]2CCC3(CN(C(=O)[C@H](C)C#N)C3)CC2)n1 ZINC001050463690 760307030 /nfs/dbraw/zinc/30/70/30/760307030.db2.gz XPPXVRFWGOXQGT-CYBMUJFWSA-N 1 2 347.419 0.843 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1nnc(C(F)(F)F)s1 ZINC001127045981 760449682 /nfs/dbraw/zinc/44/96/82/760449682.db2.gz JXXBUVRNVQDXOF-MRVPVSSYSA-N 1 2 336.339 0.801 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1nnc(Cc2ccccc2)o1 ZINC001127051952 760485993 /nfs/dbraw/zinc/48/59/93/760485993.db2.gz NVZFTKRQUALOEZ-CQSZACIVSA-N 1 2 342.399 0.905 20 30 ECEDLO CC(C)c1nnc(C[N@H+]2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)n1C ZINC001048727283 761053872 /nfs/dbraw/zinc/05/38/72/761053872.db2.gz JIHJNNSAAQUAAS-MCIONIFRSA-N 1 2 330.436 0.988 20 30 ECEDLO CC(C)c1nnc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)n1C ZINC001048727283 761053880 /nfs/dbraw/zinc/05/38/80/761053880.db2.gz JIHJNNSAAQUAAS-MCIONIFRSA-N 1 2 330.436 0.988 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc2n[nH]nc2n1 ZINC001050947215 761192481 /nfs/dbraw/zinc/19/24/81/761192481.db2.gz QMRFXIKFFPYSEV-LBPRGKRZSA-N 1 2 330.392 0.750 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc2n[nH]nc2n1 ZINC001050947215 761192485 /nfs/dbraw/zinc/19/24/85/761192485.db2.gz QMRFXIKFFPYSEV-LBPRGKRZSA-N 1 2 330.392 0.750 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCc2ncncc2C1 ZINC001050953171 761210184 /nfs/dbraw/zinc/21/01/84/761210184.db2.gz ZHTJJQYZUIWBEU-GDBMZVCRSA-N 1 2 330.432 0.975 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCc2ncncc2C1 ZINC001050953171 761210189 /nfs/dbraw/zinc/21/01/89/761210189.db2.gz ZHTJJQYZUIWBEU-GDBMZVCRSA-N 1 2 330.432 0.975 20 30 ECEDLO N#Cc1nccc(NC[C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)n1 ZINC001060257625 761221495 /nfs/dbraw/zinc/22/14/95/761221495.db2.gz MBCFQKBLCAGRRQ-CYBMUJFWSA-N 1 2 325.376 0.460 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCC)C[C@H]1OC ZINC001212148094 761241420 /nfs/dbraw/zinc/24/14/20/761241420.db2.gz AZLZINUQZCFWOY-ARFHVFGLSA-N 1 2 337.464 0.910 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCC)C[C@H]1OC ZINC001212148094 761241424 /nfs/dbraw/zinc/24/14/24/761241424.db2.gz AZLZINUQZCFWOY-ARFHVFGLSA-N 1 2 337.464 0.910 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@H](C)C2CC2)C[C@H]1OC ZINC001212148125 761247183 /nfs/dbraw/zinc/24/71/83/761247183.db2.gz BIWMFXZFBVQEHB-DJIMGWMZSA-N 1 2 349.475 0.910 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N[C@H](C)C2CC2)C[C@H]1OC ZINC001212148125 761247185 /nfs/dbraw/zinc/24/71/85/761247185.db2.gz BIWMFXZFBVQEHB-DJIMGWMZSA-N 1 2 349.475 0.910 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001051019186 761348296 /nfs/dbraw/zinc/34/82/96/761348296.db2.gz VDRHDHDOFKIROZ-HUUCEWRRSA-N 1 2 348.447 0.909 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc2nnnn2c1 ZINC001051023779 761354076 /nfs/dbraw/zinc/35/40/76/761354076.db2.gz WPIOFPPJEUNLFK-AWEZNQCLSA-N 1 2 330.392 0.521 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc2nnnn2c1 ZINC001051023779 761354088 /nfs/dbraw/zinc/35/40/88/761354088.db2.gz WPIOFPPJEUNLFK-AWEZNQCLSA-N 1 2 330.392 0.521 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nc(C)nn2C1 ZINC001051043285 761382176 /nfs/dbraw/zinc/38/21/76/761382176.db2.gz ITCHZCYWQQBPKS-HUUCEWRRSA-N 1 2 333.436 0.542 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nc(C)nn2C1 ZINC001051043285 761382185 /nfs/dbraw/zinc/38/21/85/761382185.db2.gz ITCHZCYWQQBPKS-HUUCEWRRSA-N 1 2 333.436 0.542 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1COCCN1CCCC ZINC001051043987 761382952 /nfs/dbraw/zinc/38/29/52/761382952.db2.gz NNPRUDSNDKBODP-IRXDYDNUSA-N 1 2 339.480 0.880 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1COCCN1CCCC ZINC001051043987 761382960 /nfs/dbraw/zinc/38/29/60/761382960.db2.gz NNPRUDSNDKBODP-IRXDYDNUSA-N 1 2 339.480 0.880 20 30 ECEDLO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001054551254 768039278 /nfs/dbraw/zinc/03/92/78/768039278.db2.gz SXDUIOQLHQGFHX-ZWNOBZJWSA-N 1 2 343.391 0.586 20 30 ECEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001054571612 768045770 /nfs/dbraw/zinc/04/57/70/768045770.db2.gz KWPONKAGKVPQRL-MFKMUULPSA-N 1 2 343.391 0.586 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(-n2ccnc2)nn1 ZINC001051164773 761593516 /nfs/dbraw/zinc/59/35/16/761593516.db2.gz XMHMDHUEOOCUMB-AWEZNQCLSA-N 1 2 342.403 0.669 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(-n2ccnc2)nn1 ZINC001051164773 761593521 /nfs/dbraw/zinc/59/35/21/761593521.db2.gz XMHMDHUEOOCUMB-AWEZNQCLSA-N 1 2 342.403 0.669 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cn([C@H]2CCOC2)nn1 ZINC001051199851 761673451 /nfs/dbraw/zinc/67/34/51/761673451.db2.gz IOQPSANHLLAXJT-UONOGXRCSA-N 1 2 335.408 0.246 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cn([C@H]2CCOC2)nn1 ZINC001051199851 761673455 /nfs/dbraw/zinc/67/34/55/761673455.db2.gz IOQPSANHLLAXJT-UONOGXRCSA-N 1 2 335.408 0.246 20 30 ECEDLO N#Cc1c(F)cccc1N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001051718161 762788229 /nfs/dbraw/zinc/78/82/29/762788229.db2.gz MTEVMCYYRSMYON-HIFRSBDPSA-N 1 2 343.362 0.719 20 30 ECEDLO Cc1nc(N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](O)C2)ccc1C#N ZINC001051787456 762959722 /nfs/dbraw/zinc/95/97/22/762959722.db2.gz AAJRALNAMAXJGF-GJZGRUSLSA-N 1 2 340.387 0.283 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCO[C@@H](C[NH2+]Cc3csnn3)C2)c1 ZINC001051817883 763035010 /nfs/dbraw/zinc/03/50/10/763035010.db2.gz WMUVSOYQYJBUDC-HNNXBMFYSA-N 1 2 343.412 0.545 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@H](C)CCNc1[nH+]cnc2c1cnn2C ZINC001106305173 768119090 /nfs/dbraw/zinc/11/90/90/768119090.db2.gz VQHLJOGGDKSKLO-BZNIZROVSA-N 1 2 332.408 0.997 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3cnsn3)C2)cn1 ZINC001051905845 763294957 /nfs/dbraw/zinc/29/49/57/763294957.db2.gz HUXZBCHPISZJJU-HNNXBMFYSA-N 1 2 343.412 0.545 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001014851282 763303010 /nfs/dbraw/zinc/30/30/10/763303010.db2.gz JVBONXLTUXRIJX-WCQYABFASA-N 1 2 340.387 0.961 20 30 ECEDLO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001046953150 763451609 /nfs/dbraw/zinc/45/16/09/763451609.db2.gz AVPFNGXCXQYWGM-QWHCGFSZSA-N 1 2 348.415 0.518 20 30 ECEDLO C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001046953150 763451614 /nfs/dbraw/zinc/45/16/14/763451614.db2.gz AVPFNGXCXQYWGM-QWHCGFSZSA-N 1 2 348.415 0.518 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)CCC2(F)F)cn1 ZINC001046988263 763520420 /nfs/dbraw/zinc/52/04/20/763520420.db2.gz HEPPWHHRHDWHTD-GFCCVEGCSA-N 1 2 336.342 0.235 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)CCC2(F)F)cn1 ZINC001046988263 763520422 /nfs/dbraw/zinc/52/04/22/763520422.db2.gz HEPPWHHRHDWHTD-GFCCVEGCSA-N 1 2 336.342 0.235 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3ncc[nH]3)C2)nn1 ZINC001098756803 763527367 /nfs/dbraw/zinc/52/73/67/763527367.db2.gz DQIOIYAOZYAMDL-AWEZNQCLSA-N 1 2 327.392 0.130 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)n3cccn3)C2)CC1 ZINC001051990075 763527290 /nfs/dbraw/zinc/52/72/90/763527290.db2.gz LPZBDKJDMYPYQS-IAGOWNOFSA-N 1 2 329.448 0.686 20 30 ECEDLO CCc1noc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)n1 ZINC001051997821 763548721 /nfs/dbraw/zinc/54/87/21/763548721.db2.gz JEVLPFOCDCYWPL-UONOGXRCSA-N 1 2 346.435 0.510 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)CC3OCCCO3)C2)CC1 ZINC001052019484 763599827 /nfs/dbraw/zinc/59/98/27/763599827.db2.gz ZZZWVWCWTCEUQI-INIZCTEOSA-N 1 2 335.448 0.381 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1OC ZINC001212184897 763608244 /nfs/dbraw/zinc/60/82/44/763608244.db2.gz IFYCZKYKRBWKKE-RRFJBIMHSA-N 1 2 344.477 0.286 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1OC ZINC001212184897 763608246 /nfs/dbraw/zinc/60/82/46/763608246.db2.gz IFYCZKYKRBWKKE-RRFJBIMHSA-N 1 2 344.477 0.286 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]([NH+]2CCN(Cc3cnsn3)CC2)C1 ZINC001052026375 763618508 /nfs/dbraw/zinc/61/85/08/763618508.db2.gz OZFWWVBZMCHNHJ-INIZCTEOSA-N 1 2 345.472 0.670 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)CO[C@@H]3CCOC3)C2)CC1 ZINC001052026796 763619663 /nfs/dbraw/zinc/61/96/63/763619663.db2.gz TVHPSGODQMCFAW-DLBZAZTESA-N 1 2 337.464 0.587 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccnn3C(F)F)C2)CC1 ZINC001052032216 763634192 /nfs/dbraw/zinc/63/41/92/763634192.db2.gz DEUMBDBPHMVVEI-LBPRGKRZSA-N 1 2 338.362 0.634 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C4CC4)nn3C)C2)CC1 ZINC001052035920 763645003 /nfs/dbraw/zinc/64/50/03/763645003.db2.gz UIEIEWHMTQLYQM-INIZCTEOSA-N 1 2 341.459 0.763 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc4nc[nH]c4n3)C2)CC1 ZINC001052040208 763660972 /nfs/dbraw/zinc/66/09/72/763660972.db2.gz BQZOKBGWFSEQDZ-AWEZNQCLSA-N 1 2 340.431 0.976 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(OCC)n[nH]3)C2)CC1 ZINC001052040621 763662394 /nfs/dbraw/zinc/66/23/94/763662394.db2.gz IJULQRSSRRSYHN-CQSZACIVSA-N 1 2 333.436 0.827 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C2)CC1 ZINC001052041340 763667144 /nfs/dbraw/zinc/66/71/44/763667144.db2.gz ZKIUPBNQVBBSBE-QGZVFWFLSA-N 1 2 342.443 0.241 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc4[nH]ccc4c3)C2)CC1 ZINC001052041773 763669829 /nfs/dbraw/zinc/66/98/29/763669829.db2.gz QMBOBWOEFNJDPN-MRXNPFEDSA-N 1 2 338.415 0.870 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C)nnc3CC)C2)CC1 ZINC001052045450 763683486 /nfs/dbraw/zinc/68/34/86/763683486.db2.gz UAWAMOXIFGTJMS-INIZCTEOSA-N 1 2 341.459 0.813 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCN(C)C(=O)C3)C2)CC1 ZINC001052045440 763683545 /nfs/dbraw/zinc/68/35/45/763683545.db2.gz SXBAVNIAHMCKQW-DLBZAZTESA-N 1 2 346.475 0.097 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn4c3OCCC4)C2)CC1 ZINC001052047016 763688918 /nfs/dbraw/zinc/68/89/18/763688918.db2.gz GVZAMMNEURFBDY-HNNXBMFYSA-N 1 2 345.447 0.684 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3n[nH]c4c3CCCC4)C2)CC1 ZINC001052047901 763692974 /nfs/dbraw/zinc/69/29/74/763692974.db2.gz FBLSPPMOVRICON-CQSZACIVSA-N 1 2 342.447 0.644 20 30 ECEDLO CCc1cnccc1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052048191 763695430 /nfs/dbraw/zinc/69/54/30/763695430.db2.gz NHYXSDXBPLHBMF-MRXNPFEDSA-N 1 2 327.432 1.000 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3nc(C)c(C)nc3C)C2)CC1 ZINC001052049700 763702786 /nfs/dbraw/zinc/70/27/86/763702786.db2.gz OKBCKOQBTRTPCM-QGZVFWFLSA-N 1 2 341.459 0.867 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3nc(C)c(C)nc3C)C2)CC1 ZINC001052049700 763702792 /nfs/dbraw/zinc/70/27/92/763702792.db2.gz OKBCKOQBTRTPCM-QGZVFWFLSA-N 1 2 341.459 0.867 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccc4nccn43)C2)CC1 ZINC001052050530 763707000 /nfs/dbraw/zinc/70/70/00/763707000.db2.gz WSVXZLFQBRWZBI-OAHLLOKOSA-N 1 2 338.415 0.690 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ncc4ccccn43)C2)CC1 ZINC001052052564 763715772 /nfs/dbraw/zinc/71/57/72/763715772.db2.gz QBCRPDPDYGDABQ-QGZVFWFLSA-N 1 2 337.427 0.800 20 30 ECEDLO CCCc1cc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)[nH]n1 ZINC001052060414 763739879 /nfs/dbraw/zinc/73/98/79/763739879.db2.gz DCVAWMDEPOJBIE-HNNXBMFYSA-N 1 2 330.436 0.718 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H](N2CC[NH+]([C@H](CC)C(N)=O)CC2)C1 ZINC001052060963 763743062 /nfs/dbraw/zinc/74/30/62/763743062.db2.gz OSYDXVDAFMEQAW-LSDHHAIUSA-N 1 2 336.480 0.681 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN([C@H](CC)C(N)=O)CC2)C1 ZINC001052060963 763743064 /nfs/dbraw/zinc/74/30/64/763743064.db2.gz OSYDXVDAFMEQAW-LSDHHAIUSA-N 1 2 336.480 0.681 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3c(C)cnn3C)C2)CC1 ZINC001052067450 763758543 /nfs/dbraw/zinc/75/85/43/763758543.db2.gz JZBFLUMDGNGZEP-INIZCTEOSA-N 1 2 329.448 0.584 20 30 ECEDLO C=C1CCC(C(=O)N2CC[C@@H]([NH+]3CCN([C@@H](C)C(N)=O)CC3)C2)CC1 ZINC001052072792 763775959 /nfs/dbraw/zinc/77/59/59/763775959.db2.gz CCXLENSTTWSUIE-DOTOQJQBSA-N 1 2 348.491 0.825 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc4nonc4c3)C2)CC1 ZINC001052074162 763779503 /nfs/dbraw/zinc/77/95/03/763779503.db2.gz VGXNTBWUZFAIDV-OAHLLOKOSA-N 1 2 339.399 0.688 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@H]([NH+]3CCN(CC(=O)N(C)C)CC3)C2)C1 ZINC001052082124 763800452 /nfs/dbraw/zinc/80/04/52/763800452.db2.gz QSXVMLKAQRVQTK-INIZCTEOSA-N 1 2 348.491 0.649 20 30 ECEDLO C[C@@H](Oc1cccnc1)C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052082621 763803212 /nfs/dbraw/zinc/80/32/12/763803212.db2.gz VAYULESPCGUCBZ-CVEARBPZSA-N 1 2 343.431 0.591 20 30 ECEDLO CCn1nc(C)cc1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052085289 763810936 /nfs/dbraw/zinc/81/09/36/763810936.db2.gz CQTQGGQLIASIOL-HNNXBMFYSA-N 1 2 330.436 0.567 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)CC1 ZINC001052086176 763813475 /nfs/dbraw/zinc/81/34/75/763813475.db2.gz NWDIHLZETIJKFG-IXDOHACOSA-N 1 2 348.491 0.683 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc4cccnn34)C2)CC1 ZINC001052091360 763830835 /nfs/dbraw/zinc/83/08/35/763830835.db2.gz AXVDMOFDXVSJAO-AWEZNQCLSA-N 1 2 339.403 0.085 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(C(N)=O)s3)C2)CC1 ZINC001052096792 763848301 /nfs/dbraw/zinc/84/83/01/763848301.db2.gz PAGJNLXEFAOIFK-ZDUSSCGKSA-N 1 2 346.456 0.312 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn(CC4CC4)nn3)C2)CC1 ZINC001052102340 763866418 /nfs/dbraw/zinc/86/64/18/763866418.db2.gz DXEMZKSUOHWNGQ-INIZCTEOSA-N 1 2 344.463 0.706 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc4c([nH]3)CCC4)C2)CC1 ZINC001052106952 763884177 /nfs/dbraw/zinc/88/41/77/763884177.db2.gz XRGJUICQNJSQHQ-MRXNPFEDSA-N 1 2 326.444 0.969 20 30 ECEDLO C[C@@H](Oc1ccccn1)C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052108435 763889686 /nfs/dbraw/zinc/88/96/86/763889686.db2.gz MCNKQSDZUKZLGC-CVEARBPZSA-N 1 2 343.431 0.591 20 30 ECEDLO COc1cccnc1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052111905 763905082 /nfs/dbraw/zinc/90/50/82/763905082.db2.gz GVKLWSWGWKUJBY-CQSZACIVSA-N 1 2 329.404 0.446 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cncnc3C3CC3)C2)CC1 ZINC001052112603 763907442 /nfs/dbraw/zinc/90/74/42/763907442.db2.gz AMTYHIZZFVBSEA-MRXNPFEDSA-N 1 2 339.443 0.819 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cncnc3C3CC3)C2)CC1 ZINC001052112603 763907447 /nfs/dbraw/zinc/90/74/47/763907447.db2.gz AMTYHIZZFVBSEA-MRXNPFEDSA-N 1 2 339.443 0.819 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCN(C(C)=O)C3)C2)CC1 ZINC001052112851 763909116 /nfs/dbraw/zinc/90/91/16/763909116.db2.gz GFRKJOVKMFMYCW-ROUUACIJSA-N 1 2 346.475 0.097 20 30 ECEDLO CN(C(=O)[C@@H]1CCCO1)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047296154 763913628 /nfs/dbraw/zinc/91/36/28/763913628.db2.gz YVTKFGJGNBWZSD-KKUMJFAQSA-N 1 2 335.429 0.802 20 30 ECEDLO CN(C(=O)[C@@H]1CCCO1)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047296154 763913636 /nfs/dbraw/zinc/91/36/36/763913636.db2.gz YVTKFGJGNBWZSD-KKUMJFAQSA-N 1 2 335.429 0.802 20 30 ECEDLO CCc1ncncc1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052118597 763933430 /nfs/dbraw/zinc/93/34/30/763933430.db2.gz SOKGVHCTQHIUMX-AWEZNQCLSA-N 1 2 328.420 0.395 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)C2)CC1 ZINC001052118969 763934610 /nfs/dbraw/zinc/93/46/10/763934610.db2.gz FCDJBBJUKMGIMW-NVXWUHKLSA-N 1 2 343.475 0.919 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCC(=O)N(C)C3)C2)CC1 ZINC001052121839 763943467 /nfs/dbraw/zinc/94/34/67/763943467.db2.gz IMZXINWROOZOLE-DLBZAZTESA-N 1 2 346.475 0.097 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)c3cnn(C)c3)C2)CC1 ZINC001052123081 763948311 /nfs/dbraw/zinc/94/83/11/763948311.db2.gz BASYVVJCYSBCIV-RDJZCZTQSA-N 1 2 329.448 0.375 20 30 ECEDLO Cc1nccnc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001047337909 764046342 /nfs/dbraw/zinc/04/63/42/764046342.db2.gz MXSSOJAMQYNZLU-HOTGVXAUSA-N 1 2 340.387 0.302 20 30 ECEDLO Cc1nccnc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001047337909 764046348 /nfs/dbraw/zinc/04/63/48/764046348.db2.gz MXSSOJAMQYNZLU-HOTGVXAUSA-N 1 2 340.387 0.302 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001015174622 764072695 /nfs/dbraw/zinc/07/26/95/764072695.db2.gz NJQMOWPIEHYUHS-AAEUAGOBSA-N 1 2 340.387 0.961 20 30 ECEDLO C=CCOCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001052220826 764080936 /nfs/dbraw/zinc/08/09/36/764080936.db2.gz NBCFWJSNRFHVEP-KGLIPLIRSA-N 1 2 334.420 0.756 20 30 ECEDLO Cc1oncc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001047354651 764093614 /nfs/dbraw/zinc/09/36/14/764093614.db2.gz IYAJQDGWLGEYKK-GJZGRUSLSA-N 1 2 329.360 0.500 20 30 ECEDLO Cc1oncc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001047354651 764093621 /nfs/dbraw/zinc/09/36/21/764093621.db2.gz IYAJQDGWLGEYKK-GJZGRUSLSA-N 1 2 329.360 0.500 20 30 ECEDLO CN(C(=O)c1cncnc1)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047356572 764098513 /nfs/dbraw/zinc/09/85/13/764098513.db2.gz CJGNELFGTPBNCR-GJZGRUSLSA-N 1 2 343.412 0.727 20 30 ECEDLO CN(C(=O)c1cncnc1)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047356572 764098516 /nfs/dbraw/zinc/09/85/16/764098516.db2.gz CJGNELFGTPBNCR-GJZGRUSLSA-N 1 2 343.412 0.727 20 30 ECEDLO C=CCn1cc(C(=O)NCC2C[NH+](Cc3cccnc3OC)C2)nn1 ZINC001032035653 764225164 /nfs/dbraw/zinc/22/51/64/764225164.db2.gz JIGLLRLOCBYNSW-UHFFFAOYSA-N 1 2 342.403 0.730 20 30 ECEDLO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001052319670 764244554 /nfs/dbraw/zinc/24/45/54/764244554.db2.gz DPFSTTWIPHLTFK-YPMHNXCESA-N 1 2 340.387 0.676 20 30 ECEDLO Cn1[nH]c(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)CC2)nc1=O ZINC001052320760 764245673 /nfs/dbraw/zinc/24/56/73/764245673.db2.gz VPMGGSNJOFIBPD-LLVKDONJSA-N 1 2 343.391 0.093 20 30 ECEDLO Cn1[nH]c(C[N@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)CC2)nc1=O ZINC001052320760 764245680 /nfs/dbraw/zinc/24/56/80/764245680.db2.gz VPMGGSNJOFIBPD-LLVKDONJSA-N 1 2 343.391 0.093 20 30 ECEDLO Cn1ncc(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC001032048507 764302548 /nfs/dbraw/zinc/30/25/48/764302548.db2.gz YLFVWHOXONTKMM-UHFFFAOYSA-N 1 2 328.351 0.688 20 30 ECEDLO Cn1ncc(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)n1 ZINC001032051139 764323999 /nfs/dbraw/zinc/32/39/99/764323999.db2.gz UHCAZKVKIUYLMB-UHFFFAOYSA-N 1 2 328.351 0.688 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@H]2O)cc1 ZINC001047480719 764471135 /nfs/dbraw/zinc/47/11/35/764471135.db2.gz QCJXVOBMRMMHKP-IRXDYDNUSA-N 1 2 341.411 0.017 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2O)cc1 ZINC001047480719 764471138 /nfs/dbraw/zinc/47/11/38/764471138.db2.gz QCJXVOBMRMMHKP-IRXDYDNUSA-N 1 2 341.411 0.017 20 30 ECEDLO C[C@]1(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)CNC(=O)C1 ZINC001015376364 764474651 /nfs/dbraw/zinc/47/46/51/764474651.db2.gz MVNCHBWBARVKQV-RDTXWAMCSA-N 1 2 344.390 0.914 20 30 ECEDLO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)CNC(=O)C1 ZINC001015376364 764474659 /nfs/dbraw/zinc/47/46/59/764474659.db2.gz MVNCHBWBARVKQV-RDTXWAMCSA-N 1 2 344.390 0.914 20 30 ECEDLO CN(C(=O)c1n[nH]cc1F)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047517636 764569703 /nfs/dbraw/zinc/56/97/03/764569703.db2.gz IGZLHJGVZDHAJH-HOTGVXAUSA-N 1 2 342.374 0.718 20 30 ECEDLO CN(C(=O)c1n[nH]cc1F)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047517636 764569706 /nfs/dbraw/zinc/56/97/06/764569706.db2.gz IGZLHJGVZDHAJH-HOTGVXAUSA-N 1 2 342.374 0.718 20 30 ECEDLO CN(C(=O)c1n[nH]cc1F)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047518027 764571116 /nfs/dbraw/zinc/57/11/16/764571116.db2.gz OCDRYLPITLHBGX-GJZGRUSLSA-N 1 2 343.362 0.738 20 30 ECEDLO CN(C(=O)c1n[nH]cc1F)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047518027 764571120 /nfs/dbraw/zinc/57/11/20/764571120.db2.gz OCDRYLPITLHBGX-GJZGRUSLSA-N 1 2 343.362 0.738 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001106079890 764684596 /nfs/dbraw/zinc/68/45/96/764684596.db2.gz FEEPNASJBPWLFG-ZBEGNZNMSA-N 1 2 332.408 0.855 20 30 ECEDLO C=CCCn1cc(C(=O)N(C)[C@H]2C[N@H+](C[C@@H](F)CC)C[C@@H]2O)nn1 ZINC001047558076 764690047 /nfs/dbraw/zinc/69/00/47/764690047.db2.gz UUHLOAZGMZLSIW-QEJZJMRPSA-N 1 2 339.415 0.719 20 30 ECEDLO C=CCCn1cc(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H](F)CC)C[C@@H]2O)nn1 ZINC001047558076 764690056 /nfs/dbraw/zinc/69/00/56/764690056.db2.gz UUHLOAZGMZLSIW-QEJZJMRPSA-N 1 2 339.415 0.719 20 30 ECEDLO C=CCn1cccc1C(=O)N1C[C@H]([NH2+]Cc2nnn(C)n2)[C@@H](C)C1 ZINC001054753367 768230778 /nfs/dbraw/zinc/23/07/78/768230778.db2.gz XUCHUVGXXRQKFH-STQMWFEESA-N 1 2 329.408 0.448 20 30 ECEDLO CN(C(=O)Cc1ncc[nH]1)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047576289 764747764 /nfs/dbraw/zinc/74/77/64/764747764.db2.gz DHDCMMZSOIOZPA-KBPBESRZSA-N 1 2 345.428 0.589 20 30 ECEDLO CN(C(=O)Cc1ncc[nH]1)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047576289 764747770 /nfs/dbraw/zinc/74/77/70/764747770.db2.gz DHDCMMZSOIOZPA-KBPBESRZSA-N 1 2 345.428 0.589 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H]1C ZINC001089012694 764756779 /nfs/dbraw/zinc/75/67/79/764756779.db2.gz JFQGCCGGTULKQA-PWSUYJOCSA-N 1 2 327.816 0.222 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H]1C ZINC001089012694 764756787 /nfs/dbraw/zinc/75/67/87/764756787.db2.gz JFQGCCGGTULKQA-PWSUYJOCSA-N 1 2 327.816 0.222 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1OC ZINC001212193872 764758874 /nfs/dbraw/zinc/75/88/74/764758874.db2.gz KXQULPOPFHFLHZ-NFAWXSAZSA-N 1 2 325.434 0.786 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1OC ZINC001212193872 764758877 /nfs/dbraw/zinc/75/88/77/764758877.db2.gz KXQULPOPFHFLHZ-NFAWXSAZSA-N 1 2 325.434 0.786 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2noc3c2C[C@@H](C)CC3)C1 ZINC001047582174 764770132 /nfs/dbraw/zinc/77/01/32/764770132.db2.gz IEPRLZKVTNFRPT-QEJZJMRPSA-N 1 2 331.416 0.940 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2noc3c2C[C@@H](C)CC3)C1 ZINC001047582174 764770138 /nfs/dbraw/zinc/77/01/38/764770138.db2.gz IEPRLZKVTNFRPT-QEJZJMRPSA-N 1 2 331.416 0.940 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC001047586114 764784227 /nfs/dbraw/zinc/78/42/27/764784227.db2.gz JCNAADISFQXHQV-HOTGVXAUSA-N 1 2 325.372 0.018 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC001047586114 764784231 /nfs/dbraw/zinc/78/42/31/764784231.db2.gz JCNAADISFQXHQV-HOTGVXAUSA-N 1 2 325.372 0.018 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2C[NH+](CC(=O)NC3CCCC3)C2)cn1 ZINC001032137668 764789833 /nfs/dbraw/zinc/78/98/33/764789833.db2.gz WSIVFMNZASFONS-UHFFFAOYSA-N 1 2 340.427 0.783 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@H+](Cc3ccnn3C)C[C@@H]2O)cn1 ZINC001047601670 764845273 /nfs/dbraw/zinc/84/52/73/764845273.db2.gz FSMYPTXFYYKDDH-IRXDYDNUSA-N 1 2 339.399 0.114 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](Cc3ccnn3C)C[C@@H]2O)cn1 ZINC001047601670 764845283 /nfs/dbraw/zinc/84/52/83/764845283.db2.gz FSMYPTXFYYKDDH-IRXDYDNUSA-N 1 2 339.399 0.114 20 30 ECEDLO CN1C[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)NC1=O ZINC001015515181 764854583 /nfs/dbraw/zinc/85/45/83/764854583.db2.gz VKKDUZKHRNPNGW-HUUCEWRRSA-N 1 2 327.388 0.272 20 30 ECEDLO CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)NC1=O ZINC001015515181 764854591 /nfs/dbraw/zinc/85/45/91/764854591.db2.gz VKKDUZKHRNPNGW-HUUCEWRRSA-N 1 2 327.388 0.272 20 30 ECEDLO CN1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)C1=O ZINC001015565042 764972842 /nfs/dbraw/zinc/97/28/42/764972842.db2.gz XMRZNVGAQYIITI-CABCVRRESA-N 1 2 344.390 0.866 20 30 ECEDLO CN1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)C1=O ZINC001015565042 764972852 /nfs/dbraw/zinc/97/28/52/764972852.db2.gz XMRZNVGAQYIITI-CABCVRRESA-N 1 2 344.390 0.866 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3c(C)nnn3CC)C2)nn1 ZINC001015812039 765371165 /nfs/dbraw/zinc/37/11/65/765371165.db2.gz RVSVGESTJIRDSJ-CYBMUJFWSA-N 1 2 344.423 0.388 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3c(C)nnn3CC)C2)nn1 ZINC001015812039 765371172 /nfs/dbraw/zinc/37/11/72/765371172.db2.gz RVSVGESTJIRDSJ-CYBMUJFWSA-N 1 2 344.423 0.388 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001015842630 765425775 /nfs/dbraw/zinc/42/57/75/765425775.db2.gz HJRFGAOORZAVHI-NSHDSACASA-N 1 2 335.795 0.888 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001015842630 765425777 /nfs/dbraw/zinc/42/57/77/765425777.db2.gz HJRFGAOORZAVHI-NSHDSACASA-N 1 2 335.795 0.888 20 30 ECEDLO C#CCOCCC(=O)NC[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001053034642 765508734 /nfs/dbraw/zinc/50/87/34/765508734.db2.gz RYHDEEPANWDYNN-CABCVRRESA-N 1 2 346.431 0.213 20 30 ECEDLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1CNC(=O)C#CC1CC1 ZINC001053073837 765547970 /nfs/dbraw/zinc/54/79/70/765547970.db2.gz LHGRYFPJDPHOKA-ZBFHGGJFSA-N 1 2 328.416 0.897 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001015969545 765639705 /nfs/dbraw/zinc/63/97/05/765639705.db2.gz WCZMGEFIASNFEW-STQMWFEESA-N 1 2 332.404 0.585 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001015969545 765639710 /nfs/dbraw/zinc/63/97/10/765639710.db2.gz WCZMGEFIASNFEW-STQMWFEESA-N 1 2 332.404 0.585 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001017705347 768309687 /nfs/dbraw/zinc/30/96/87/768309687.db2.gz YOZOTJQIFXVDRP-OKILXGFUSA-N 1 2 340.383 0.725 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001017705347 768309690 /nfs/dbraw/zinc/30/96/90/768309690.db2.gz YOZOTJQIFXVDRP-OKILXGFUSA-N 1 2 340.383 0.725 20 30 ECEDLO CC[C@@H](C[NH+]1CC2(C1)CN(C(=O)c1c[nH]c(C#N)c1)CCO2)OC ZINC001053226951 765793804 /nfs/dbraw/zinc/79/38/04/765793804.db2.gz FDHKWPIHBUSABH-HNNXBMFYSA-N 1 2 332.404 0.838 20 30 ECEDLO C#Cc1cncc(C(=O)NCC2=CCN(C(=O)Cn3cc[nH+]c3)CC2)c1 ZINC001017720627 768322986 /nfs/dbraw/zinc/32/29/86/768322986.db2.gz IGNPTBMSZRQKLR-UHFFFAOYSA-N 1 2 349.394 0.848 20 30 ECEDLO Cc1c[nH+]c2cc(C(=O)N3CCOC4(CN(CC#N)C4)C3)ccn12 ZINC001053257729 765856326 /nfs/dbraw/zinc/85/63/26/765856326.db2.gz UOFYPAGZFZUHMM-UHFFFAOYSA-N 1 2 325.372 0.693 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cn1ccc(C)cc1=O)CCO2 ZINC001053453292 766160834 /nfs/dbraw/zinc/16/08/34/766160834.db2.gz VOSSJEJWHALFCO-UHFFFAOYSA-N 1 2 331.416 0.646 20 30 ECEDLO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1)N1CCOCC1 ZINC001016437366 766300473 /nfs/dbraw/zinc/30/04/73/766300473.db2.gz NPMKYBPJEFKKHH-YJBOKZPZSA-N 1 2 342.443 0.969 20 30 ECEDLO C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1)N1CCOCC1 ZINC001016437366 766300478 /nfs/dbraw/zinc/30/04/78/766300478.db2.gz NPMKYBPJEFKKHH-YJBOKZPZSA-N 1 2 342.443 0.969 20 30 ECEDLO C=C1CCC(C(=O)NCC2(O)CN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001045769073 766346988 /nfs/dbraw/zinc/34/69/88/766346988.db2.gz ZIOLMJNZMPVHSQ-UHFFFAOYSA-N 1 2 346.431 0.778 20 30 ECEDLO C=C1CCC(C(=O)NCC2(O)CN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001045769073 766346995 /nfs/dbraw/zinc/34/69/95/766346995.db2.gz ZIOLMJNZMPVHSQ-UHFFFAOYSA-N 1 2 346.431 0.778 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@@H]2O)cc1 ZINC001083690572 766347233 /nfs/dbraw/zinc/34/72/33/766347233.db2.gz APAKAOOMEIJKLU-SJORKVTESA-N 1 2 341.411 0.064 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@@H]2O)cc1 ZINC001083690572 766347244 /nfs/dbraw/zinc/34/72/44/766347244.db2.gz APAKAOOMEIJKLU-SJORKVTESA-N 1 2 341.411 0.064 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cnoc3)C2)cc1F ZINC001077555469 766402553 /nfs/dbraw/zinc/40/25/53/766402553.db2.gz PXQIPSAJAWONSS-HZPDHXFCSA-N 1 2 344.346 0.589 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cnoc3)C2)cc1F ZINC001077555469 766402561 /nfs/dbraw/zinc/40/25/61/766402561.db2.gz PXQIPSAJAWONSS-HZPDHXFCSA-N 1 2 344.346 0.589 20 30 ECEDLO C#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCn3c[nH+]cc3C1)O2 ZINC001053617627 766442615 /nfs/dbraw/zinc/44/26/15/766442615.db2.gz CJHZOZGKAQSCCL-ZBFHGGJFSA-N 1 2 328.416 0.428 20 30 ECEDLO CC#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCn3c[nH+]cc3C1)O2 ZINC001053618085 766444023 /nfs/dbraw/zinc/44/40/23/766444023.db2.gz OHPALJLMYOYTML-WBVHZDCISA-N 1 2 342.443 0.818 20 30 ECEDLO N#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCn3c[nH+]cc3C1)O2 ZINC001053618503 766446072 /nfs/dbraw/zinc/44/60/72/766446072.db2.gz ZKTHPESLQOIRLL-HIFRSBDPSA-N 1 2 329.404 0.319 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCN(C(N)=O)C1)O2 ZINC001053625706 766466244 /nfs/dbraw/zinc/46/62/44/766466244.db2.gz CTQXOCSJKDKTHW-KGLIPLIRSA-N 1 2 336.436 0.313 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cn(CC3CC3)nn1)O2 ZINC001053683754 766579568 /nfs/dbraw/zinc/57/95/68/766579568.db2.gz HSWXHYFRVGMSTH-AWEZNQCLSA-N 1 2 331.420 0.837 20 30 ECEDLO Cc1cnc(C[N@H+]2CC[C@@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)nc1 ZINC001046011336 766635365 /nfs/dbraw/zinc/63/53/65/766635365.db2.gz BWIFALACOLETMU-JKSUJKDBSA-N 1 2 342.447 0.663 20 30 ECEDLO Cc1cnc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)nc1 ZINC001046011336 766635370 /nfs/dbraw/zinc/63/53/70/766635370.db2.gz BWIFALACOLETMU-JKSUJKDBSA-N 1 2 342.447 0.663 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cn4c(n3)CCC4)CC2)C1 ZINC001046030612 766698118 /nfs/dbraw/zinc/69/81/18/766698118.db2.gz WGTDXVLPHSEBTG-AWEZNQCLSA-N 1 2 328.420 0.185 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cnn4c3CCC4)CC2)C1 ZINC001046035911 766722791 /nfs/dbraw/zinc/72/27/91/766722791.db2.gz WDJNQYKTNZMIRL-AWEZNQCLSA-N 1 2 328.420 0.185 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@H]3CCCn4nccc43)CC2)C1 ZINC001046037887 766736334 /nfs/dbraw/zinc/73/63/34/766736334.db2.gz BGTFJHDXWYKJCC-HOTGVXAUSA-N 1 2 342.447 0.503 20 30 ECEDLO Cc1nccc(CCC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)n1 ZINC001046045821 766771757 /nfs/dbraw/zinc/77/17/57/766771757.db2.gz OGRFNMNTBNJJMK-KRWDZBQOSA-N 1 2 342.447 0.460 20 30 ECEDLO CCc1cc(CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)n(C)n1 ZINC001046046123 766773778 /nfs/dbraw/zinc/77/37/78/766773778.db2.gz WNEISQMVVVFGIO-MRXNPFEDSA-N 1 2 344.463 0.267 20 30 ECEDLO CCc1cc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)c(C)nn1 ZINC001046048552 766779780 /nfs/dbraw/zinc/77/97/80/766779780.db2.gz YVMKLYKMOJJHEN-MRXNPFEDSA-N 1 2 342.447 0.703 20 30 ECEDLO N#CCN1CCC2(C[C@@H]2NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001016748252 766839156 /nfs/dbraw/zinc/83/91/56/766839156.db2.gz JJTGFVVWRDUEJU-SJORKVTESA-N 1 2 346.475 0.982 20 30 ECEDLO N#CCN1CCC2(C[C@@H]2NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001016748252 766839165 /nfs/dbraw/zinc/83/91/65/766839165.db2.gz JJTGFVVWRDUEJU-SJORKVTESA-N 1 2 346.475 0.982 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)Cn3cc(Cl)cn3)CC2)C1 ZINC001046065486 766847977 /nfs/dbraw/zinc/84/79/77/766847977.db2.gz AEOFISGHVRKCID-AWEZNQCLSA-N 1 2 336.827 0.279 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3cocc3C)C2)C1=O ZINC001077521490 766873924 /nfs/dbraw/zinc/87/39/24/766873924.db2.gz ASIBJSRJDQTBSJ-QLFBSQMISA-N 1 2 333.388 0.150 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cocc3C)C2)C1=O ZINC001077521490 766873933 /nfs/dbraw/zinc/87/39/33/766873933.db2.gz ASIBJSRJDQTBSJ-QLFBSQMISA-N 1 2 333.388 0.150 20 30 ECEDLO Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046072039 766879453 /nfs/dbraw/zinc/87/94/53/766879453.db2.gz PPIVWAKSJRVAHN-CZUORRHYSA-N 1 2 344.463 0.872 20 30 ECEDLO C[C@H](Oc1ccccn1)C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046076773 766905298 /nfs/dbraw/zinc/90/52/98/766905298.db2.gz PSULXHKQXBPYGJ-JKSUJKDBSA-N 1 2 343.431 0.591 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)CC2)C1 ZINC001046077040 766906177 /nfs/dbraw/zinc/90/61/77/766906177.db2.gz RCLJFGOXHRMFAH-GDBMZVCRSA-N 1 2 342.447 0.257 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)CC)CO2 ZINC001053813618 766909339 /nfs/dbraw/zinc/90/93/39/766909339.db2.gz UYAINWKPJQTSGL-CVEARBPZSA-N 1 2 347.459 0.760 20 30 ECEDLO Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)n1 ZINC001106135705 766910032 /nfs/dbraw/zinc/91/00/32/766910032.db2.gz ZMFGPCRFFBVHLE-ABAIWWIYSA-N 1 2 342.403 0.753 20 30 ECEDLO Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)n1 ZINC001106135705 766910038 /nfs/dbraw/zinc/91/00/38/766910038.db2.gz ZMFGPCRFFBVHLE-ABAIWWIYSA-N 1 2 342.403 0.753 20 30 ECEDLO Cn1cncc1CCC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046080258 766915737 /nfs/dbraw/zinc/91/57/37/766915737.db2.gz DIWLWHLOCMHZOC-MRXNPFEDSA-N 1 2 330.436 0.095 20 30 ECEDLO CO[C@@H](C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1)C1CCCC1 ZINC001046081155 766918498 /nfs/dbraw/zinc/91/84/98/766918498.db2.gz WBXHVGFDBWENQK-IAGOWNOFSA-N 1 2 334.464 0.934 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3COc4ccccc43)CC2)C1 ZINC001046089532 766931178 /nfs/dbraw/zinc/93/11/78/766931178.db2.gz GLSFEZAFWBYTFX-NVXWUHKLSA-N 1 2 340.427 0.905 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2COCCO2)C1 ZINC001046152565 766982456 /nfs/dbraw/zinc/98/24/56/766982456.db2.gz LFLXQBYGVJHCIX-AAEUAGOBSA-N 1 2 333.226 0.891 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2COCCO2)C1 ZINC001046152565 766982460 /nfs/dbraw/zinc/98/24/60/766982460.db2.gz LFLXQBYGVJHCIX-AAEUAGOBSA-N 1 2 333.226 0.891 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCn3ccnc3C1)CO2 ZINC001053852694 767024748 /nfs/dbraw/zinc/02/47/48/767024748.db2.gz ORQKXCFTJDEEFO-GJZGRUSLSA-N 1 2 328.416 0.428 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)ns3)C[C@@H]2O)c1 ZINC001083765565 767071684 /nfs/dbraw/zinc/07/16/84/767071684.db2.gz JXTCNUFZAIZDTR-CVEARBPZSA-N 1 2 342.424 0.803 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)ns3)C[C@@H]2O)c1 ZINC001083765565 767071690 /nfs/dbraw/zinc/07/16/90/767071690.db2.gz JXTCNUFZAIZDTR-CVEARBPZSA-N 1 2 342.424 0.803 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc3nccn3c1)CO2 ZINC001053870390 767086288 /nfs/dbraw/zinc/08/62/88/767086288.db2.gz IWVYYXFECDTFFG-CQSZACIVSA-N 1 2 327.388 0.879 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cc2ccn[nH]2)C1 ZINC000938755867 767106946 /nfs/dbraw/zinc/10/69/46/767106946.db2.gz AVWDASGUOJXMDI-CVEARBPZSA-N 1 2 343.431 0.109 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cc2ccn[nH]2)C1 ZINC000938755867 767106948 /nfs/dbraw/zinc/10/69/48/767106948.db2.gz AVWDASGUOJXMDI-CVEARBPZSA-N 1 2 343.431 0.109 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2COCCN2C)C1 ZINC001046248552 767108368 /nfs/dbraw/zinc/10/83/68/767108368.db2.gz PIWUBOCAYLBCTP-JSGCOSHPSA-N 1 2 346.269 0.806 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2COCCN2C)C1 ZINC001046248552 767108369 /nfs/dbraw/zinc/10/83/69/767108369.db2.gz PIWUBOCAYLBCTP-JSGCOSHPSA-N 1 2 346.269 0.806 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2cnnn2C)C1 ZINC001046328088 767151547 /nfs/dbraw/zinc/15/15/47/767151547.db2.gz VEMWFJGXHUFOMZ-VYDXJSESSA-N 1 2 333.436 0.877 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2cnnn2C)C1 ZINC001046328088 767151548 /nfs/dbraw/zinc/15/15/48/767151548.db2.gz VEMWFJGXHUFOMZ-VYDXJSESSA-N 1 2 333.436 0.877 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1COCCN1CCCC)CO2 ZINC001053881802 767154353 /nfs/dbraw/zinc/15/43/53/767154353.db2.gz PFBREBNHTHVGBB-SJORKVTESA-N 1 2 349.475 0.470 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)[C@H](OC)C1 ZINC001212299973 767188167 /nfs/dbraw/zinc/18/81/67/767188167.db2.gz SPJWNRLRNIPARN-ZHCJQAHYSA-N 1 2 347.459 0.706 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)[C@H](OC)C1 ZINC001212299973 767188169 /nfs/dbraw/zinc/18/81/69/767188169.db2.gz SPJWNRLRNIPARN-ZHCJQAHYSA-N 1 2 347.459 0.706 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001046432016 767217845 /nfs/dbraw/zinc/21/78/45/767217845.db2.gz PMULUYPSJZZWQL-ABAIWWIYSA-N 1 2 339.827 0.879 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001046432016 767217847 /nfs/dbraw/zinc/21/78/47/767217847.db2.gz PMULUYPSJZZWQL-ABAIWWIYSA-N 1 2 339.827 0.879 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001046432019 767217934 /nfs/dbraw/zinc/21/79/34/767217934.db2.gz PMULUYPSJZZWQL-XHDPSFHLSA-N 1 2 339.827 0.879 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001046432019 767217936 /nfs/dbraw/zinc/21/79/36/767217936.db2.gz PMULUYPSJZZWQL-XHDPSFHLSA-N 1 2 339.827 0.879 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)nc(C)c2)[C@H](OC)C1 ZINC001212329856 767227298 /nfs/dbraw/zinc/22/72/98/767227298.db2.gz GNSNTQUTABZFKK-IAGOWNOFSA-N 1 2 331.416 0.777 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)nc(C)c2)[C@H](OC)C1 ZINC001212329856 767227299 /nfs/dbraw/zinc/22/72/99/767227299.db2.gz GNSNTQUTABZFKK-IAGOWNOFSA-N 1 2 331.416 0.777 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1OC ZINC001212337654 767253966 /nfs/dbraw/zinc/25/39/66/767253966.db2.gz ZQFOEKRMIUBUAA-FRRDWIJNSA-N 1 2 343.855 0.811 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1OC ZINC001212337654 767253968 /nfs/dbraw/zinc/25/39/68/767253968.db2.gz ZQFOEKRMIUBUAA-FRRDWIJNSA-N 1 2 343.855 0.811 20 30 ECEDLO N#Cc1cncc(N2CC=C(CNC(=O)CCc3[nH]cc[nH+]3)CC2)n1 ZINC001127628496 767287619 /nfs/dbraw/zinc/28/76/19/767287619.db2.gz NQSWOCAQANZDDU-UHFFFAOYSA-N 1 2 337.387 0.957 20 30 ECEDLO N#CCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)CO2 ZINC001053904312 767312859 /nfs/dbraw/zinc/31/28/59/767312859.db2.gz KKKUAAINWOMBEY-ZBFHGGJFSA-N 1 2 348.447 0.113 20 30 ECEDLO N#CCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)CO2 ZINC001053904312 767312865 /nfs/dbraw/zinc/31/28/65/767312865.db2.gz KKKUAAINWOMBEY-ZBFHGGJFSA-N 1 2 348.447 0.113 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc3n1CCCC3)CO2 ZINC001053905062 767314535 /nfs/dbraw/zinc/31/45/35/767314535.db2.gz VKNNLAJEYZUVDK-CQSZACIVSA-N 1 2 328.416 0.816 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001046578653 767324661 /nfs/dbraw/zinc/32/46/61/767324661.db2.gz GASWCARKIIXHIZ-CYBMUJFWSA-N 1 2 341.209 0.873 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001046578653 767324663 /nfs/dbraw/zinc/32/46/63/767324663.db2.gz GASWCARKIIXHIZ-CYBMUJFWSA-N 1 2 341.209 0.873 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001046578655 767324777 /nfs/dbraw/zinc/32/47/77/767324777.db2.gz GASWCARKIIXHIZ-ZDUSSCGKSA-N 1 2 341.209 0.873 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001046578655 767324782 /nfs/dbraw/zinc/32/47/82/767324782.db2.gz GASWCARKIIXHIZ-ZDUSSCGKSA-N 1 2 341.209 0.873 20 30 ECEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1OC ZINC001212344947 767354050 /nfs/dbraw/zinc/35/40/50/767354050.db2.gz TYUQOGASIKVDKZ-JHJVBQTASA-N 1 2 340.424 0.002 20 30 ECEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]1OC ZINC001212344947 767354059 /nfs/dbraw/zinc/35/40/59/767354059.db2.gz TYUQOGASIKVDKZ-JHJVBQTASA-N 1 2 340.424 0.002 20 30 ECEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1OC ZINC001212345070 767358596 /nfs/dbraw/zinc/35/85/96/767358596.db2.gz ZHMWTFSCWOTXGM-RRFJBIMHSA-N 1 2 346.493 0.839 20 30 ECEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1OC ZINC001212345070 767358603 /nfs/dbraw/zinc/35/86/03/767358603.db2.gz ZHMWTFSCWOTXGM-RRFJBIMHSA-N 1 2 346.493 0.839 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1Cc3ccncc3C1)CO2 ZINC001053924472 767374132 /nfs/dbraw/zinc/37/41/32/767374132.db2.gz UPKJTJPGQIYHHF-DOTOQJQBSA-N 1 2 325.412 0.779 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1csc3cncn31)CO2 ZINC001053944754 767419488 /nfs/dbraw/zinc/41/94/88/767419488.db2.gz GYCZEERDTWHYSZ-GFCCVEGCSA-N 1 2 330.413 0.992 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2COC3(C[NH+]([C@H](C)COC)C3)C2)nn1 ZINC001053950381 767434432 /nfs/dbraw/zinc/43/44/32/767434432.db2.gz AYBZOQHSOIPBLI-ZIAGYGMSSA-N 1 2 349.435 0.462 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cn(CCC=C)nn1)CO2 ZINC001053950388 767435348 /nfs/dbraw/zinc/43/53/48/767435348.db2.gz BBAJLCTWUOTKQU-AWEZNQCLSA-N 1 2 329.404 0.451 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1CC)CO2 ZINC001053974534 767502532 /nfs/dbraw/zinc/50/25/32/767502532.db2.gz POGFTAQUXQJPHJ-CABCVRRESA-N 1 2 333.432 0.370 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@]1(C)CCN(C(C)=O)C1)CO2 ZINC001053977217 767510283 /nfs/dbraw/zinc/51/02/83/767510283.db2.gz PHCKNEUJTPDNTL-RDJZCZTQSA-N 1 2 335.448 0.781 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001017056898 767524142 /nfs/dbraw/zinc/52/41/42/767524142.db2.gz TUGHERRERGIQRT-CVSAEHQPSA-N 1 2 332.404 0.580 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCCN(C)C1=O)CO2 ZINC001053981956 767524583 /nfs/dbraw/zinc/52/45/83/767524583.db2.gz ZGIHOOOLPURESV-LSDHHAIUSA-N 1 2 335.448 0.781 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H](C[N@H+](C)Cc2nnnn2C2CC2)C1 ZINC001017076433 767554483 /nfs/dbraw/zinc/55/44/83/767554483.db2.gz HCMWMDBHTWCRPI-STQMWFEESA-N 1 2 331.424 0.838 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2nnnn2C2CC2)C1 ZINC001017076433 767554487 /nfs/dbraw/zinc/55/44/87/767554487.db2.gz HCMWMDBHTWCRPI-STQMWFEESA-N 1 2 331.424 0.838 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1c(C)csc1=O)CO2 ZINC001054004272 767571066 /nfs/dbraw/zinc/57/10/66/767571066.db2.gz KSXLJNCGCSVKOA-CYBMUJFWSA-N 1 2 335.429 0.201 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C(N)=O)cc1)CO2 ZINC001054005794 767574520 /nfs/dbraw/zinc/57/45/20/767574520.db2.gz MOGSQMJRAZRWJK-HNNXBMFYSA-N 1 2 327.384 0.382 20 30 ECEDLO Cn1cnnc1C[N@H+](C)C[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001017107251 767596390 /nfs/dbraw/zinc/59/63/90/767596390.db2.gz RONLLFXFRPBULA-CYBMUJFWSA-N 1 2 341.419 0.999 20 30 ECEDLO Cn1cnnc1C[N@@H+](C)C[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001017107251 767596393 /nfs/dbraw/zinc/59/63/93/767596393.db2.gz RONLLFXFRPBULA-CYBMUJFWSA-N 1 2 341.419 0.999 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C1CC1)N1CCOCC1)CO2 ZINC001054013164 767597571 /nfs/dbraw/zinc/59/75/71/767597571.db2.gz PLRYSGHJFGHHGO-DLBZAZTESA-N 1 2 347.459 0.080 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C1CC1)N1CCOCC1)CO2 ZINC001054013167 767597815 /nfs/dbraw/zinc/59/78/15/767597815.db2.gz PLRYSGHJFGHHGO-SJORKVTESA-N 1 2 347.459 0.080 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001054042134 767641429 /nfs/dbraw/zinc/64/14/29/767641429.db2.gz PBKOBEYVAPMRFB-IAGOWNOFSA-N 1 2 325.412 0.641 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001054042134 767641435 /nfs/dbraw/zinc/64/14/35/767641435.db2.gz PBKOBEYVAPMRFB-IAGOWNOFSA-N 1 2 325.412 0.641 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC(=O)NC1 ZINC001054044877 767644049 /nfs/dbraw/zinc/64/40/49/767644049.db2.gz GKAKCZIZEFTYBU-DOTOQJQBSA-N 1 2 325.412 0.689 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCC(=O)NC1 ZINC001054044877 767644052 /nfs/dbraw/zinc/64/40/52/767644052.db2.gz GKAKCZIZEFTYBU-DOTOQJQBSA-N 1 2 325.412 0.689 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001054052879 767652709 /nfs/dbraw/zinc/65/27/09/767652709.db2.gz HUVDEJZQJZEWLR-OAHLLOKOSA-N 1 2 336.395 0.904 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001054052879 767652712 /nfs/dbraw/zinc/65/27/12/767652712.db2.gz HUVDEJZQJZEWLR-OAHLLOKOSA-N 1 2 336.395 0.904 20 30 ECEDLO C=CCn1cc(C(=O)NC2C[NH+](CCc3scnc3C)C2)nn1 ZINC001031069938 767803348 /nfs/dbraw/zinc/80/33/48/767803348.db2.gz HQCLMHJPSIIAHU-UHFFFAOYSA-N 1 2 332.433 0.886 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@@H+]1Cc1cnnn1C ZINC000993207095 768488223 /nfs/dbraw/zinc/48/82/23/768488223.db2.gz LJPMIKQFUOIACP-FZMZJTMJSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@H+]1Cc1cnnn1C ZINC000993207095 768488227 /nfs/dbraw/zinc/48/82/27/768488227.db2.gz LJPMIKQFUOIACP-FZMZJTMJSA-N 1 2 327.392 0.798 20 30 ECEDLO N#Cc1cnc(N[C@@H]2CC[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]32)cn1 ZINC001060541409 768657021 /nfs/dbraw/zinc/65/70/21/768657021.db2.gz OFILZNCELYJGCR-FPMFFAJLSA-N 1 2 337.387 0.963 20 30 ECEDLO C=CCCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001055224658 768683352 /nfs/dbraw/zinc/68/33/52/768683352.db2.gz OYBHVHCDCZLBKY-OAGGEKHMSA-N 1 2 346.431 0.781 20 30 ECEDLO CC(C)(C)C#CC(=O)N1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001055332592 768788801 /nfs/dbraw/zinc/78/88/01/768788801.db2.gz DCJHRCNCDGLKHD-OKILXGFUSA-N 1 2 328.416 0.919 20 30 ECEDLO N#Cc1nccc(N[C@@H]2CC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)n1 ZINC001060557861 768809023 /nfs/dbraw/zinc/80/90/23/768809023.db2.gz RNRKZDAAXXUDTC-IACUBPJLSA-N 1 2 337.387 0.385 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)CCCC)[C@H](OC)C1 ZINC001212208746 768969134 /nfs/dbraw/zinc/96/91/34/768969134.db2.gz AWNWVVHJUMLGMU-RRFJBIMHSA-N 1 2 325.453 0.930 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)CCCC)[C@H](OC)C1 ZINC001212208746 768969136 /nfs/dbraw/zinc/96/91/36/768969136.db2.gz AWNWVVHJUMLGMU-RRFJBIMHSA-N 1 2 325.453 0.930 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NC1CN(Cc2cc(C#N)ccc2F)C1 ZINC001031261472 768983184 /nfs/dbraw/zinc/98/31/84/768983184.db2.gz OCAUGXCXIMQBJX-UHFFFAOYSA-N 1 2 327.363 0.974 20 30 ECEDLO CCN(CCNc1nccnc1C#N)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001106798328 769019665 /nfs/dbraw/zinc/01/96/65/769019665.db2.gz YNYHWAJGFRLMFK-UHFFFAOYSA-N 1 2 346.435 0.719 20 30 ECEDLO CCN(CCNc1cncc(C#N)n1)C(=O)CCc1c[nH+]cn1C ZINC001106814008 769105760 /nfs/dbraw/zinc/10/57/60/769105760.db2.gz GKVSCCZYLNOYHA-UHFFFAOYSA-N 1 2 327.392 0.975 20 30 ECEDLO CCN(CCNc1ccnc(C#N)n1)C(=O)CCc1c[nH+]cn1C ZINC001106814255 769106444 /nfs/dbraw/zinc/10/64/44/769106444.db2.gz URUVMRWZCVPWMH-UHFFFAOYSA-N 1 2 327.392 0.397 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H]1C ZINC000993511236 769176032 /nfs/dbraw/zinc/17/60/32/769176032.db2.gz MSZIVZVYXJOTHN-VXGBXAGGSA-N 1 2 327.816 0.303 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H]1C ZINC000993511236 769176037 /nfs/dbraw/zinc/17/60/37/769176037.db2.gz MSZIVZVYXJOTHN-VXGBXAGGSA-N 1 2 327.816 0.303 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@@H](OC)C3CC3)C2)CC1 ZINC001018364018 769204317 /nfs/dbraw/zinc/20/43/17/769204317.db2.gz AMRYGWDQZXHSJD-IRXDYDNUSA-N 1 2 349.475 0.980 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)CC(C)(C)O)C2)CC1 ZINC001018363997 769204335 /nfs/dbraw/zinc/20/43/35/769204335.db2.gz AFMJQSFTDOMKSS-HNNXBMFYSA-N 1 2 337.464 0.716 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H]1C ZINC000993522132 769220482 /nfs/dbraw/zinc/22/04/82/769220482.db2.gz PIBHHEQOHFEQND-ZIAGYGMSSA-N 1 2 342.871 0.482 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H]1C ZINC000993522132 769220487 /nfs/dbraw/zinc/22/04/87/769220487.db2.gz PIBHHEQOHFEQND-ZIAGYGMSSA-N 1 2 342.871 0.482 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)c2ncn[nH]2)CC1 ZINC001055614672 769261524 /nfs/dbraw/zinc/26/15/24/769261524.db2.gz GSQWFFAPZBXVPV-OLZOCXBDSA-N 1 2 348.451 0.573 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+](Cc3cnnn3C)[C@@H]2C)c1 ZINC000993773372 769597545 /nfs/dbraw/zinc/59/75/45/769597545.db2.gz QITAYGATCSFSEU-DYVFJYSZSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+](Cc3cnnn3C)[C@@H]2C)c1 ZINC000993773372 769597549 /nfs/dbraw/zinc/59/75/49/769597549.db2.gz QITAYGATCSFSEU-DYVFJYSZSA-N 1 2 338.415 0.974 20 30 ECEDLO O=C(C#CC1CC1)N1CC(NC(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000993827932 769693461 /nfs/dbraw/zinc/69/34/61/769693461.db2.gz DKRMBGZCJYIBGY-UHFFFAOYSA-N 1 2 343.452 0.847 20 30 ECEDLO O=C(C#CC1CC1)N1CC(NC(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000993827932 769693465 /nfs/dbraw/zinc/69/34/65/769693465.db2.gz DKRMBGZCJYIBGY-UHFFFAOYSA-N 1 2 343.452 0.847 20 30 ECEDLO C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001055823073 769855625 /nfs/dbraw/zinc/85/56/25/769855625.db2.gz BTMUVKZXIAXARX-GOSISDBHSA-N 1 2 348.447 0.789 20 30 ECEDLO CCc1nc(C#N)cc(N2CCN(C(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001055842001 769935360 /nfs/dbraw/zinc/93/53/60/769935360.db2.gz AFRSIZYEGQHTAY-UHFFFAOYSA-N 1 2 325.376 0.456 20 30 ECEDLO C#CCC[N@H+]1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H]1C ZINC000994005886 769994873 /nfs/dbraw/zinc/99/48/73/769994873.db2.gz IKLRBASNIZHCGX-GXTWGEPZSA-N 1 2 342.403 0.064 20 30 ECEDLO C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H]1C ZINC000994005886 769994881 /nfs/dbraw/zinc/99/48/81/769994881.db2.gz IKLRBASNIZHCGX-GXTWGEPZSA-N 1 2 342.403 0.064 20 30 ECEDLO C=CCC[N@H+]1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H]1C ZINC000994005984 769996473 /nfs/dbraw/zinc/99/64/73/769996473.db2.gz JBNJWDSSIVUBCU-GXTWGEPZSA-N 1 2 344.419 0.616 20 30 ECEDLO C=CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H]1C ZINC000994005984 769996480 /nfs/dbraw/zinc/99/64/80/769996480.db2.gz JBNJWDSSIVUBCU-GXTWGEPZSA-N 1 2 344.419 0.616 20 30 ECEDLO O=C(CCc1c[nH]c[nH+]1)N[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1 ZINC001055986690 770456942 /nfs/dbraw/zinc/45/69/42/770456942.db2.gz IQKLGGZTMJRQJN-GOSISDBHSA-N 1 2 344.415 0.225 20 30 ECEDLO O=C(CCc1c[nH+]c[nH]1)N[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1 ZINC001055986690 770456946 /nfs/dbraw/zinc/45/69/46/770456946.db2.gz IQKLGGZTMJRQJN-GOSISDBHSA-N 1 2 344.415 0.225 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nccn2CC)C1 ZINC001018985819 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N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@H]3CCc4c[nH+]cn4C3)C2)c1 ZINC000994608038 771346186 /nfs/dbraw/zinc/34/61/86/771346186.db2.gz CLHGMGSCFHVWCW-LBPRGKRZSA-N 1 2 338.371 0.286 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056526174 771353685 /nfs/dbraw/zinc/35/36/85/771353685.db2.gz BGKUNMPUAOHVQF-DEYYWGMASA-N 1 2 346.431 0.871 20 30 ECEDLO Cc1cc(C#N)nc(NCCOCCN(C)C(=O)Cc2c[nH+]c[nH]2)n1 ZINC001127505780 771384794 /nfs/dbraw/zinc/38/47/94/771384794.db2.gz VKPBPHNHTXDXLR-UHFFFAOYSA-N 1 2 343.391 0.509 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NCC2C[NH+](CC(=O)N3CCCCC3)C2)c1 ZINC001031603778 771400206 /nfs/dbraw/zinc/40/02/06/771400206.db2.gz WYUPOIAYBUIQLP-UHFFFAOYSA-N 1 2 329.404 0.560 20 30 ECEDLO CN(CCOCCNc1cnc(C#N)cn1)C(=O)CCc1c[nH]c[nH+]1 ZINC001127511397 771406752 /nfs/dbraw/zinc/40/67/52/771406752.db2.gz RTACIHYISSNCPX-UHFFFAOYSA-N 1 2 343.391 0.591 20 30 ECEDLO CN(CCOCCNc1cnc(C#N)cn1)C(=O)CCc1c[nH+]c[nH]1 ZINC001127511397 771406756 /nfs/dbraw/zinc/40/67/56/771406756.db2.gz RTACIHYISSNCPX-UHFFFAOYSA-N 1 2 343.391 0.591 20 30 ECEDLO N#Cc1cnccc1N[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001056724908 771560006 /nfs/dbraw/zinc/56/00/06/771560006.db2.gz RLHLJQOQEMNGSD-UKRRQHHQSA-N 1 2 336.399 0.847 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](N(C)c2nc(C)cc(C#N)n2)C1 ZINC001056949769 771853579 /nfs/dbraw/zinc/85/35/79/771853579.db2.gz URQOUKACSWASKU-CQSZACIVSA-N 1 2 339.403 0.968 20 30 ECEDLO O=C(C#CC1CC1)N1CCO[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001019913851 772017121 /nfs/dbraw/zinc/01/71/21/772017121.db2.gz MEIBCGUUEKEBJH-CABCVRRESA-N 1 2 342.399 0.194 20 30 ECEDLO CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001057063945 772022973 /nfs/dbraw/zinc/02/29/73/772022973.db2.gz IYKBRWNVCHWAFG-JHJVBQTASA-N 1 2 337.387 0.912 20 30 ECEDLO CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001057063945 772022979 /nfs/dbraw/zinc/02/29/79/772022979.db2.gz 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773252623 /nfs/dbraw/zinc/25/26/23/773252623.db2.gz XGPCDZONHGMAJC-AWEZNQCLSA-N 1 2 334.420 0.349 20 30 ECEDLO C=C(C)CCC(=O)NCCN(CCO)C(=O)CCCn1cc[nH+]c1 ZINC001057984225 773339146 /nfs/dbraw/zinc/33/91/46/773339146.db2.gz OVIKTIQCZOZGSV-UHFFFAOYSA-N 1 2 336.436 0.957 20 30 ECEDLO C=CCCC1(C(=O)NCCN(CCO)C(=O)Cn2cc[nH+]c2)CC1 ZINC001057996638 773352244 /nfs/dbraw/zinc/35/22/44/773352244.db2.gz RAKJNHXSTHMILI-UHFFFAOYSA-N 1 2 334.420 0.567 20 30 ECEDLO C[C@@H](Nc1ccnc(C#N)n1)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001058018608 773374386 /nfs/dbraw/zinc/37/43/86/773374386.db2.gz DAIHHIYLFBNVLW-OLZOCXBDSA-N 1 2 339.403 0.917 20 30 ECEDLO C#CCC1(C(=O)NCCN(CCO)C(=O)Cc2c[nH+]cn2C)CCC1 ZINC001058157515 773656631 /nfs/dbraw/zinc/65/66/31/773656631.db2.gz ACHNMHOMFOYEQH-UHFFFAOYSA-N 1 2 346.431 0.093 20 30 ECEDLO N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nn1 ZINC001058265411 773879980 /nfs/dbraw/zinc/87/99/80/773879980.db2.gz ICKOAJBMOKVKMH-MGPQQGTHSA-N 1 2 337.387 0.960 20 30 ECEDLO N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nn1 ZINC001058265411 773879983 /nfs/dbraw/zinc/87/99/83/773879983.db2.gz ICKOAJBMOKVKMH-MGPQQGTHSA-N 1 2 337.387 0.960 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001040628246 783132241 /nfs/dbraw/zinc/13/22/41/783132241.db2.gz ZAPJDUVORAYQLU-RDTXWAMCSA-N 1 2 348.447 0.645 20 30 ECEDLO CC#CCCCC(=O)NCCN(CCO)C(=O)CCc1[nH+]ccn1C ZINC001058354216 774023729 /nfs/dbraw/zinc/02/37/29/774023729.db2.gz AEQWDSBRGUARJG-UHFFFAOYSA-N 1 2 348.447 0.483 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001040635042 783145740 /nfs/dbraw/zinc/14/57/40/783145740.db2.gz DHWJBHBGXYSWCD-YOEHRIQHSA-N 1 2 334.420 0.565 20 30 ECEDLO C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001039830975 783169941 /nfs/dbraw/zinc/16/99/41/783169941.db2.gz MVQFRUMUIOQBLT-KBXCAEBGSA-N 1 2 346.431 0.471 20 30 ECEDLO C#CCCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001039830975 783169942 /nfs/dbraw/zinc/16/99/42/783169942.db2.gz MVQFRUMUIOQBLT-KBXCAEBGSA-N 1 2 346.431 0.471 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCN(c3[nH+]cnc4c3cnn4C)C2)c1 ZINC001058539493 774389974 /nfs/dbraw/zinc/38/99/74/774389974.db2.gz DIYBKNKKJZHBMR-AWEZNQCLSA-N 1 2 347.382 0.748 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 ZINC001058586464 774482953 /nfs/dbraw/zinc/48/29/53/774482953.db2.gz QDFZBEMAPGYZHW-CYBMUJFWSA-N 1 2 338.371 0.689 20 30 ECEDLO N#Cc1nccc(N2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H](O)C2)n1 ZINC001044767536 774590244 /nfs/dbraw/zinc/59/02/44/774590244.db2.gz DOOZDZZIQHUJFW-KGLIPLIRSA-N 1 2 349.354 0.204 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001044979481 774793100 /nfs/dbraw/zinc/79/31/00/774793100.db2.gz FYUKQJPEUTYTKK-CHWSQXEVSA-N 1 2 334.420 0.110 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001045068247 774926960 /nfs/dbraw/zinc/92/69/60/774926960.db2.gz CBVZARPUSZEKSD-AWEZNQCLSA-N 1 2 334.420 0.565 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001044010903 775506412 /nfs/dbraw/zinc/50/64/12/775506412.db2.gz FYUAHKMTXNBIKY-STQMWFEESA-N 1 2 334.420 0.110 20 30 ECEDLO Cn1ncc(C[NH+]2CCC(C)(NC(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC001045398687 775541881 /nfs/dbraw/zinc/54/18/81/775541881.db2.gz BBBFEBCJRYHOAG-UHFFFAOYSA-N 1 2 327.392 0.799 20 30 ECEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@H]2COC(=O)N2)CC1 ZINC001045426538 775591358 /nfs/dbraw/zinc/59/13/58/775591358.db2.gz CTKHUSRAYUYDIV-SNVBAGLBSA-N 1 2 346.225 0.974 20 30 ECEDLO N#Cc1ccc(N2C[C@@H](NC(=O)c3cccc4[nH+]ccn43)[C@@H](O)C2)cn1 ZINC001044321693 776148414 /nfs/dbraw/zinc/14/84/14/776148414.db2.gz HXXHYXQJPSLGHC-ZBFHGGJFSA-N 1 2 348.366 0.580 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001044672425 776615628 /nfs/dbraw/zinc/61/56/28/776615628.db2.gz CMUKDBNAGMDUIL-KBPBESRZSA-N 1 2 348.447 0.500 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001079684400 776680043 /nfs/dbraw/zinc/68/00/43/776680043.db2.gz HEAOAKWFEVHNSI-KRWDZBQOSA-N 1 2 334.420 0.729 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nn2)C[C@H]1C ZINC001079721268 776762711 /nfs/dbraw/zinc/76/27/11/776762711.db2.gz WDJLOCQJUQRPGT-MIGQKNRLSA-N 1 2 333.436 0.733 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cn(C)nn2)C[C@H]1C ZINC001079721268 776762717 /nfs/dbraw/zinc/76/27/17/776762717.db2.gz WDJLOCQJUQRPGT-MIGQKNRLSA-N 1 2 333.436 0.733 20 30 ECEDLO CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001079741757 776785764 /nfs/dbraw/zinc/78/57/64/776785764.db2.gz ULWDVVWGTRNOOP-OAHLLOKOSA-N 1 2 340.427 0.918 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001079774619 776845596 /nfs/dbraw/zinc/84/55/96/776845596.db2.gz HRPMFLWOEQXTIZ-ZDUSSCGKSA-N 1 2 332.404 0.060 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001079777975 776855572 /nfs/dbraw/zinc/85/55/72/776855572.db2.gz MKVSAVJPEAVGGY-OAHLLOKOSA-N 1 2 346.431 0.761 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnn(C(F)F)c2)[C@@H](n2ccnn2)C1 ZINC001070064554 790487370 /nfs/dbraw/zinc/48/73/70/790487370.db2.gz XJOGOUKMHYYLQS-NEPJUHHUSA-N 1 2 335.318 0.158 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(C(F)F)c2)[C@@H](n2ccnn2)C1 ZINC001070064554 790487379 /nfs/dbraw/zinc/48/73/79/790487379.db2.gz XJOGOUKMHYYLQS-NEPJUHHUSA-N 1 2 335.318 0.158 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2CC3(C2)CCOCC3)[C@@H](n2ccnn2)C1 ZINC001070074690 790515519 /nfs/dbraw/zinc/51/55/19/790515519.db2.gz GMCIKDNGMOIHDU-CVEARBPZSA-N 1 2 343.431 0.460 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2CC3(C2)CCOCC3)[C@@H](n2ccnn2)C1 ZINC001070074690 790515522 /nfs/dbraw/zinc/51/55/22/790515522.db2.gz GMCIKDNGMOIHDU-CVEARBPZSA-N 1 2 343.431 0.460 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(OCC)cc2)[C@@H](n2ccnn2)C1 ZINC001070086640 790557397 /nfs/dbraw/zinc/55/73/97/790557397.db2.gz FPSREEDOEXQEFA-SJORKVTESA-N 1 2 339.399 0.965 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(OCC)cc2)[C@@H](n2ccnn2)C1 ZINC001070086640 790557403 /nfs/dbraw/zinc/55/74/03/790557403.db2.gz FPSREEDOEXQEFA-SJORKVTESA-N 1 2 339.399 0.965 20 30 ECEDLO C=CCOCCCC(=O)N1CC(N(CC)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001080347543 777725067 /nfs/dbraw/zinc/72/50/67/777725067.db2.gz WKHXULPHKZHZBN-UHFFFAOYSA-N 1 2 334.420 0.994 20 30 ECEDLO CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001080416005 777820728 /nfs/dbraw/zinc/82/07/28/777820728.db2.gz HOYJEWAHBCHLGN-OLZOCXBDSA-N 1 2 329.404 0.664 20 30 ECEDLO CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001080420156 777828026 /nfs/dbraw/zinc/82/80/26/777828026.db2.gz OJHBWHVERWKNGU-ZDUSSCGKSA-N 1 2 343.431 0.981 20 30 ECEDLO C#CCCCC(=O)NC[C@@H]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)O1 ZINC001068563031 790574121 /nfs/dbraw/zinc/57/41/21/790574121.db2.gz LQQYLQVNKLKMRW-HNNXBMFYSA-N 1 2 344.415 0.632 20 30 ECEDLO C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001043316151 778147817 /nfs/dbraw/zinc/14/78/17/778147817.db2.gz XNKPRWWJVVMIIU-ZDUSSCGKSA-N 1 2 346.431 0.875 20 30 ECEDLO C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001043319223 778151298 /nfs/dbraw/zinc/15/12/98/778151298.db2.gz BGSOXYVQHCLBFW-AWEZNQCLSA-N 1 2 346.431 0.491 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2nn(CC)nc2C)[C@@H](n2ccnn2)C1 ZINC001070109325 790633428 /nfs/dbraw/zinc/63/34/28/790633428.db2.gz RBGDRWKLYNKGIU-OLZOCXBDSA-N 1 2 330.396 0.039 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2nn(CC)nc2C)[C@@H](n2ccnn2)C1 ZINC001070109325 790633434 /nfs/dbraw/zinc/63/34/34/790633434.db2.gz RBGDRWKLYNKGIU-OLZOCXBDSA-N 1 2 330.396 0.039 20 30 ECEDLO C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001043624239 778614993 /nfs/dbraw/zinc/61/49/93/778614993.db2.gz QGUZNYHTXRALHV-CYBMUJFWSA-N 1 2 346.431 0.479 20 30 ECEDLO C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001043624239 778614994 /nfs/dbraw/zinc/61/49/94/778614994.db2.gz QGUZNYHTXRALHV-CYBMUJFWSA-N 1 2 346.431 0.479 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)/C=C\C(C)(C)C)C1 ZINC001043649106 778665087 /nfs/dbraw/zinc/66/50/87/778665087.db2.gz LNMDBQVWXKCCIL-CDNLZTBQSA-N 1 2 347.459 0.376 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)/C=C\C(C)(C)C)C1 ZINC001043649106 778665090 /nfs/dbraw/zinc/66/50/90/778665090.db2.gz LNMDBQVWXKCCIL-CDNLZTBQSA-N 1 2 347.459 0.376 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H](C)CC(C)C)C1 ZINC001043649088 778665122 /nfs/dbraw/zinc/66/51/22/778665122.db2.gz LGHNHTMYFIJNPO-HOTGVXAUSA-N 1 2 349.475 0.456 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H](C)CC(C)C)C1 ZINC001043649088 778665126 /nfs/dbraw/zinc/66/51/26/778665126.db2.gz LGHNHTMYFIJNPO-HOTGVXAUSA-N 1 2 349.475 0.456 20 30 ECEDLO CC(C)(C)C#CC(=O)NC1(CNC(=O)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001070113389 790650189 /nfs/dbraw/zinc/65/01/89/790650189.db2.gz UYNZNDZHNCNBPB-UHFFFAOYSA-N 1 2 346.431 0.783 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)C2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070115939 790657383 /nfs/dbraw/zinc/65/73/83/790657383.db2.gz FNKLVWFMBGDCHM-BMFZPTHFSA-N 1 2 331.420 0.316 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070115939 790657388 /nfs/dbraw/zinc/65/73/88/790657388.db2.gz FNKLVWFMBGDCHM-BMFZPTHFSA-N 1 2 331.420 0.316 20 30 ECEDLO C=CC(C)(C)C(=O)NC[C@@H]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)O1 ZINC001068600737 790680261 /nfs/dbraw/zinc/68/02/61/790680261.db2.gz QMBVXVURODJBNP-AWEZNQCLSA-N 1 2 346.431 0.972 20 30 ECEDLO C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)NC(=O)CSCC#N ZINC001078522541 780080962 /nfs/dbraw/zinc/08/09/62/780080962.db2.gz SAYANWLTCGAROE-YNEHKIRRSA-N 1 2 349.460 0.791 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001078535493 780096434 /nfs/dbraw/zinc/09/64/34/780096434.db2.gz TXAZIQBQGZPWTE-IMJJTQAJSA-N 1 2 348.447 0.955 20 30 ECEDLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C23CCC3)n1 ZINC001078588889 780178943 /nfs/dbraw/zinc/17/89/43/780178943.db2.gz IMLZHCBYQDEDIR-QWHCGFSZSA-N 1 2 340.391 0.241 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2cscn2)[C@@H](n2ccnn2)C1 ZINC001070156977 790778590 /nfs/dbraw/zinc/77/85/90/790778590.db2.gz CZZVORJYOIOWPH-RTXFEEFZSA-N 1 2 331.405 0.436 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)Cc2c[nH]c[nH+]2)nc1 ZINC001078753579 780438822 /nfs/dbraw/zinc/43/88/22/780438822.db2.gz BPDFQCVFHSXMMQ-LBPRGKRZSA-N 1 2 325.372 0.653 20 30 ECEDLO C#CCOCCC(=O)N(C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001078958688 780652806 /nfs/dbraw/zinc/65/28/06/780652806.db2.gz BQZDZQCSQQZPSC-HNNXBMFYSA-N 1 2 346.431 0.832 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001078960612 780655021 /nfs/dbraw/zinc/65/50/21/780655021.db2.gz XTWOIWNEENIXSK-HZPDHXFCSA-N 1 2 346.431 0.761 20 30 ECEDLO C=CCn1cccc1C(=O)N(C)C1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001042928281 781053316 /nfs/dbraw/zinc/05/33/16/781053316.db2.gz FKUXEROGDPRAIJ-MRXNPFEDSA-N 1 2 343.431 0.688 20 30 ECEDLO CO[C@@H]1CN(c2cc(C)ncc2C#N)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001042986800 781141172 /nfs/dbraw/zinc/14/11/72/781141172.db2.gz KTMJYZWZLXSXDX-GDBMZVCRSA-N 1 2 340.387 0.547 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC001079598633 781304134 /nfs/dbraw/zinc/30/41/34/781304134.db2.gz JUUJZRAJQKVQJA-RTXFEEFZSA-N 1 2 346.269 0.662 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC001079598633 781304137 /nfs/dbraw/zinc/30/41/37/781304137.db2.gz JUUJZRAJQKVQJA-RTXFEEFZSA-N 1 2 346.269 0.662 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C)CC=CC3)C2)C1=O ZINC001077623728 781370360 /nfs/dbraw/zinc/37/03/60/781370360.db2.gz ZLWDYYXQYGCEPE-QLFBSQMISA-N 1 2 333.432 0.291 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C)CC=CC3)C2)C1=O ZINC001077623728 781370367 /nfs/dbraw/zinc/37/03/67/781370367.db2.gz ZLWDYYXQYGCEPE-QLFBSQMISA-N 1 2 333.432 0.291 20 30 ECEDLO Cc1nc(N(C)C)nc(NC[C@@H]2CN(C(=O)[C@H](C)C#N)CCCO2)[nH+]1 ZINC001041481897 781603144 /nfs/dbraw/zinc/60/31/44/781603144.db2.gz KBLOAIPJGXTZHQ-DGCLKSJQSA-N 1 2 347.423 0.435 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]2O)nn1 ZINC001077802434 781723160 /nfs/dbraw/zinc/72/31/60/781723160.db2.gz IMYCPWTXOIYPTN-GDBMZVCRSA-N 1 2 345.378 0.578 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]2O)nn1 ZINC001077802434 781723164 /nfs/dbraw/zinc/72/31/64/781723164.db2.gz IMYCPWTXOIYPTN-GDBMZVCRSA-N 1 2 345.378 0.578 20 30 ECEDLO C=C(C)CCC(=O)NC[C@]1(O)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001040048801 783439136 /nfs/dbraw/zinc/43/91/36/783439136.db2.gz WJCJDRKHHVPGSX-QGZVFWFLSA-N 1 2 334.420 0.709 20 30 ECEDLO Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@H]2C)n1 ZINC001040069935 783481601 /nfs/dbraw/zinc/48/16/01/783481601.db2.gz CBGKPODEDFJPMD-QEJZJMRPSA-N 1 2 344.419 0.389 20 30 ECEDLO Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H]2C)n1 ZINC001040069935 783481607 /nfs/dbraw/zinc/48/16/07/783481607.db2.gz CBGKPODEDFJPMD-QEJZJMRPSA-N 1 2 344.419 0.389 20 30 ECEDLO N#CCN[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1n1ccnn1 ZINC001070222979 783690872 /nfs/dbraw/zinc/69/08/72/783690872.db2.gz XLMJQDGIYFDBTN-CABCVRRESA-N 1 2 336.359 0.333 20 30 ECEDLO C[C@@H](C#N)C(=O)NC1(CNC(=O)CCCn2cc[nH+]c2)CCOCC1 ZINC001070233716 783711428 /nfs/dbraw/zinc/71/14/28/783711428.db2.gz CRQFWMMCVBQHJR-AWEZNQCLSA-N 1 2 347.419 0.605 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)c2ccccc2O)C1=O ZINC001038070120 783815742 /nfs/dbraw/zinc/81/57/42/783815742.db2.gz DCOXPIYBMXWIKD-UKRRQHHQSA-N 1 2 329.400 0.983 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)c2ccccc2O)C1=O ZINC001038070120 783815745 /nfs/dbraw/zinc/81/57/45/783815745.db2.gz DCOXPIYBMXWIKD-UKRRQHHQSA-N 1 2 329.400 0.983 20 30 ECEDLO C#CC[N@H+]1C[C@@H](c2nc(CNC(=O)c3ncc[nH]3)n[nH]2)[C@H](C2CC2)C1 ZINC001070351072 783860827 /nfs/dbraw/zinc/86/08/27/783860827.db2.gz GCHHTPJIIJWGLY-QWHCGFSZSA-N 1 2 339.403 0.516 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](c2nc(CNC(=O)c3ncc[nH]3)n[nH]2)[C@H](C2CC2)C1 ZINC001070351072 783860831 /nfs/dbraw/zinc/86/08/31/783860831.db2.gz GCHHTPJIIJWGLY-QWHCGFSZSA-N 1 2 339.403 0.516 20 30 ECEDLO C#CC[N@H+]1C[C@@H](c2n[nH]c(CNC(=O)c3ccn[nH]3)n2)[C@H](C2CC2)C1 ZINC001070351218 783864113 /nfs/dbraw/zinc/86/41/13/783864113.db2.gz MYZGDHYFYFHUEH-QWHCGFSZSA-N 1 2 339.403 0.516 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](c2n[nH]c(CNC(=O)c3ccn[nH]3)n2)[C@H](C2CC2)C1 ZINC001070351218 783864121 /nfs/dbraw/zinc/86/41/21/783864121.db2.gz MYZGDHYFYFHUEH-QWHCGFSZSA-N 1 2 339.403 0.516 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001038176567 783952590 /nfs/dbraw/zinc/95/25/90/783952590.db2.gz AQWCDPSBMNQFST-ZWKOTPCHSA-N 1 2 327.428 0.559 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001038176567 783952603 /nfs/dbraw/zinc/95/26/03/783952603.db2.gz AQWCDPSBMNQFST-ZWKOTPCHSA-N 1 2 327.428 0.559 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)c2ccnn2CC)C1=O ZINC001038187352 783968910 /nfs/dbraw/zinc/96/89/10/783968910.db2.gz XNHGMWAKUJPXHS-DZGCQCFKSA-N 1 2 331.420 0.494 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)c2ccnn2CC)C1=O ZINC001038187352 783968915 /nfs/dbraw/zinc/96/89/15/783968915.db2.gz XNHGMWAKUJPXHS-DZGCQCFKSA-N 1 2 331.420 0.494 20 30 ECEDLO C#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001070422764 784035951 /nfs/dbraw/zinc/03/59/51/784035951.db2.gz IAIQZPAXHSIUCE-LLVKDONJSA-N 1 2 328.376 0.201 20 30 ECEDLO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001070422764 784035957 /nfs/dbraw/zinc/03/59/57/784035957.db2.gz IAIQZPAXHSIUCE-LLVKDONJSA-N 1 2 328.376 0.201 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1ccccn1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070439164 784074112 /nfs/dbraw/zinc/07/41/12/784074112.db2.gz NVGMKBJYKMRLDW-CQSZACIVSA-N 1 2 336.399 0.683 20 30 ECEDLO CC#CC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)OC)C[C@H]2c1nnc(C)[nH]1 ZINC001070441247 784080428 /nfs/dbraw/zinc/08/04/28/784080428.db2.gz RKWLRPGFMGIGJC-OCCSQVGLSA-N 1 2 331.420 0.399 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@H](CC)OC)C[C@H]2c1nnc(C)[nH]1 ZINC001070442953 784088063 /nfs/dbraw/zinc/08/80/63/784088063.db2.gz UEMLRTNAPIZUDB-KBPBESRZSA-N 1 2 331.420 0.399 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)CC(C)(C)O)C[C@H]2c1nnc(C)[nH]1 ZINC001070445594 784096852 /nfs/dbraw/zinc/09/68/52/784096852.db2.gz FZHDFZISHFJHJO-ZDUSSCGKSA-N 1 2 331.420 0.135 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@H](OC)C1CC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070446170 784099011 /nfs/dbraw/zinc/09/90/11/784099011.db2.gz VEYLQNYBBXJRQF-LSDHHAIUSA-N 1 2 343.431 0.399 20 30 ECEDLO O=C(C#CC1CC1)N[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001070920489 784116159 /nfs/dbraw/zinc/11/61/59/784116159.db2.gz RXFDMNPUFHYRKX-HZPDHXFCSA-N 1 2 340.427 0.966 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccncn2)C1 ZINC001070920998 784117069 /nfs/dbraw/zinc/11/70/69/784117069.db2.gz KKBCBGCJPXMANN-YUELXQCFSA-N 1 2 343.387 0.382 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccncn2)C1 ZINC001070920998 784117074 /nfs/dbraw/zinc/11/70/74/784117074.db2.gz KKBCBGCJPXMANN-YUELXQCFSA-N 1 2 343.387 0.382 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2coc(CC)n2)CC1 ZINC001070957451 784224846 /nfs/dbraw/zinc/22/48/46/784224846.db2.gz FPQRGNOYBOVQCV-UHFFFAOYSA-N 1 2 332.404 0.524 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2coc(CC)n2)CC1 ZINC001070957451 784224855 /nfs/dbraw/zinc/22/48/55/784224855.db2.gz FPQRGNOYBOVQCV-UHFFFAOYSA-N 1 2 332.404 0.524 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)C2(F)CCOCC2)CC1 ZINC001070969470 784265389 /nfs/dbraw/zinc/26/53/89/784265389.db2.gz SNZREPYFWAONHN-UHFFFAOYSA-N 1 2 341.427 0.732 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)C2(F)CCOCC2)CC1 ZINC001070969470 784265397 /nfs/dbraw/zinc/26/53/97/784265397.db2.gz SNZREPYFWAONHN-UHFFFAOYSA-N 1 2 341.427 0.732 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2cccnc2)CC1 ZINC001070977688 784295776 /nfs/dbraw/zinc/29/57/76/784295776.db2.gz CFVJROFOXAGMEH-UHFFFAOYSA-N 1 2 330.432 0.851 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCc2cccnc2)CC1 ZINC001070977688 784295781 /nfs/dbraw/zinc/29/57/81/784295781.db2.gz CFVJROFOXAGMEH-UHFFFAOYSA-N 1 2 330.432 0.851 20 30 ECEDLO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cn2cncc2C)CC1 ZINC001070979909 784305418 /nfs/dbraw/zinc/30/54/18/784305418.db2.gz FFJPBNUBCNZVTH-UHFFFAOYSA-N 1 2 333.436 0.418 20 30 ECEDLO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cn2cncc2C)CC1 ZINC001070979909 784305426 /nfs/dbraw/zinc/30/54/26/784305426.db2.gz FFJPBNUBCNZVTH-UHFFFAOYSA-N 1 2 333.436 0.418 20 30 ECEDLO C=CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001070580074 784321160 /nfs/dbraw/zinc/32/11/60/784321160.db2.gz HHWXAURELAEZLS-OLZOCXBDSA-N 1 2 334.424 0.074 20 30 ECEDLO C=CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001070580074 784321165 /nfs/dbraw/zinc/32/11/65/784321165.db2.gz HHWXAURELAEZLS-OLZOCXBDSA-N 1 2 334.424 0.074 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(C(C)C)n[nH]2)CC1 ZINC001071002042 784377549 /nfs/dbraw/zinc/37/75/49/784377549.db2.gz ZKBZUZKXAHAKGV-UHFFFAOYSA-N 1 2 345.447 0.821 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C(C)C)n[nH]2)CC1 ZINC001071002042 784377557 /nfs/dbraw/zinc/37/75/57/784377557.db2.gz ZKBZUZKXAHAKGV-UHFFFAOYSA-N 1 2 345.447 0.821 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc3c([nH]2)CCC3)CC1 ZINC001071014259 784416566 /nfs/dbraw/zinc/41/65/66/784416566.db2.gz GIWFBXSTARHHEU-UHFFFAOYSA-N 1 2 330.432 0.954 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)c2cc3c([nH]2)CCC3)CC1 ZINC001071014259 784416574 /nfs/dbraw/zinc/41/65/74/784416574.db2.gz GIWFBXSTARHHEU-UHFFFAOYSA-N 1 2 330.432 0.954 20 30 ECEDLO N#Cc1cc(C(=O)N2CCC[C@@H](NC(=O)CCn3cc[nH+]c3)C2)c[nH]1 ZINC001070635957 784470881 /nfs/dbraw/zinc/47/08/81/784470881.db2.gz CMKWAUCBPQBXKP-CQSZACIVSA-N 1 2 340.387 0.894 20 30 ECEDLO C=CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001071057614 784494870 /nfs/dbraw/zinc/49/48/70/784494870.db2.gz XRUQKCMYNJNVJL-ZIAGYGMSSA-N 1 2 334.420 0.959 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001071084162 784526296 /nfs/dbraw/zinc/52/62/96/784526296.db2.gz GQLBPIVDTDYPMI-LSDHHAIUSA-N 1 2 346.431 0.498 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001071084188 784526863 /nfs/dbraw/zinc/52/68/63/784526863.db2.gz HYOJHABELCUQOL-KDOFPFPSSA-N 1 2 348.447 0.787 20 30 ECEDLO Cn1cncc1[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1NCC#N ZINC001070674489 784533525 /nfs/dbraw/zinc/53/35/25/784533525.db2.gz QBHQBUIMGIEHSP-ZIAGYGMSSA-N 1 2 327.392 0.114 20 30 ECEDLO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(=O)c(OC)c[nH]1)C[C@@H](C)O2 ZINC001071191809 784702651 /nfs/dbraw/zinc/70/26/51/784702651.db2.gz JQZSWZXLYAFKDK-ACJLOTCBSA-N 1 2 345.399 0.322 20 30 ECEDLO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(=O)c(OC)c[nH]1)C[C@@H](C)O2 ZINC001071191809 784702657 /nfs/dbraw/zinc/70/26/57/784702657.db2.gz JQZSWZXLYAFKDK-ACJLOTCBSA-N 1 2 345.399 0.322 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H](C)O[C@@]3(CC[N@H+](CC(N)=O)C3)C2)cc1 ZINC001071197167 784715616 /nfs/dbraw/zinc/71/56/16/784715616.db2.gz ODJUBTIJGOGCFB-IFXJQAMLSA-N 1 2 341.411 0.459 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H](C)O[C@@]3(CC[N@@H+](CC(N)=O)C3)C2)cc1 ZINC001071197167 784715622 /nfs/dbraw/zinc/71/56/22/784715622.db2.gz ODJUBTIJGOGCFB-IFXJQAMLSA-N 1 2 341.411 0.459 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cncn1)C[C@@H](C)O2 ZINC001071239166 784810349 /nfs/dbraw/zinc/81/03/49/784810349.db2.gz XIGQWGRQXAXORX-UKRRQHHQSA-N 1 2 339.827 0.722 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cncn1)C[C@@H](C)O2 ZINC001071239166 784810357 /nfs/dbraw/zinc/81/03/57/784810357.db2.gz XIGQWGRQXAXORX-UKRRQHHQSA-N 1 2 339.827 0.722 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3c[nH]c(C)n3)C2)C(=O)C1 ZINC001071258605 784864287 /nfs/dbraw/zinc/86/42/87/784864287.db2.gz MBAQIJQIFJUDEY-HNNXBMFYSA-N 1 2 343.431 0.490 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3c[nH]c(C)n3)C2)C(=O)C1 ZINC001071258605 784864297 /nfs/dbraw/zinc/86/42/97/784864297.db2.gz MBAQIJQIFJUDEY-HNNXBMFYSA-N 1 2 343.431 0.490 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)C#CC3CC3)C2)C(=O)C1 ZINC001071264076 784883205 /nfs/dbraw/zinc/88/32/05/784883205.db2.gz MUKBBXIIJQSRPE-QGZVFWFLSA-N 1 2 327.428 0.558 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)C#CC3CC3)C2)C(=O)C1 ZINC001071264076 784883209 /nfs/dbraw/zinc/88/32/09/784883209.db2.gz MUKBBXIIJQSRPE-QGZVFWFLSA-N 1 2 327.428 0.558 20 30 ECEDLO C#CCN1CCN([C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C(=O)C1 ZINC001071265191 784886556 /nfs/dbraw/zinc/88/65/56/784886556.db2.gz AWAPKHPLLXSMAD-INIZCTEOSA-N 1 2 343.431 0.111 20 30 ECEDLO C#CCN1CCN([C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C(=O)C1 ZINC001071265191 784886559 /nfs/dbraw/zinc/88/65/59/784886559.db2.gz AWAPKHPLLXSMAD-INIZCTEOSA-N 1 2 343.431 0.111 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3csnn3)C2)C(=O)C1 ZINC001071268811 784896836 /nfs/dbraw/zinc/89/68/36/784896836.db2.gz BCTVKBMZLSCSFV-CYBMUJFWSA-N 1 2 347.444 0.310 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3csnn3)C2)C(=O)C1 ZINC001071268811 784896841 /nfs/dbraw/zinc/89/68/41/784896841.db2.gz BCTVKBMZLSCSFV-CYBMUJFWSA-N 1 2 347.444 0.310 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[C@@H](N3CC[N@@H+](CC)CC3=O)C2)nc1 ZINC001071276768 784919798 /nfs/dbraw/zinc/91/97/98/784919798.db2.gz AJOMIOLCMUGXDT-MRXNPFEDSA-N 1 2 340.427 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[C@@H](N3CC[N@H+](CC)CC3=O)C2)nc1 ZINC001071276768 784919803 /nfs/dbraw/zinc/91/98/03/784919803.db2.gz AJOMIOLCMUGXDT-MRXNPFEDSA-N 1 2 340.427 0.832 20 30 ECEDLO C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001071809043 785136736 /nfs/dbraw/zinc/13/67/36/785136736.db2.gz PCXZYHPYYORKPE-DZGCQCFKSA-N 1 2 334.420 0.518 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3cncn3C)C2)nn1 ZINC001071880188 785263153 /nfs/dbraw/zinc/26/31/53/785263153.db2.gz PUEAGEDDMNKQFP-KBPBESRZSA-N 1 2 343.435 0.981 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3cncn3C)C2)nn1 ZINC001071880188 785263157 /nfs/dbraw/zinc/26/31/57/785263157.db2.gz PUEAGEDDMNKQFP-KBPBESRZSA-N 1 2 343.435 0.981 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)CC[C@H]1C ZINC001071904640 785298678 /nfs/dbraw/zinc/29/86/78/785298678.db2.gz MPKVSKFKPBPMLN-MNOVXSKESA-N 1 2 328.800 0.260 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)CC[C@H]1C ZINC001071904640 785298683 /nfs/dbraw/zinc/29/86/83/785298683.db2.gz MPKVSKFKPBPMLN-MNOVXSKESA-N 1 2 328.800 0.260 20 30 ECEDLO C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001071922314 785340020 /nfs/dbraw/zinc/34/00/20/785340020.db2.gz SCFXXRDKYSZPHR-WFASDCNBSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001071925571 785346633 /nfs/dbraw/zinc/34/66/33/785346633.db2.gz LTCOMDNJPBKLLU-BXUZGUMPSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001071661158 785470775 /nfs/dbraw/zinc/47/07/75/785470775.db2.gz GQUHTKXCCCYWEM-VXGBXAGGSA-N 1 2 335.433 0.562 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001071662257 785475773 /nfs/dbraw/zinc/47/57/73/785475773.db2.gz TWPDNRATULBQOO-QWHCGFSZSA-N 1 2 349.460 0.573 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)CC[C@@H]1C ZINC001072033839 785556039 /nfs/dbraw/zinc/55/60/39/785556039.db2.gz PQHBHSSJVFJLMO-AAEUAGOBSA-N 1 2 341.843 0.612 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)CC[C@@H]1C ZINC001072033839 785556041 /nfs/dbraw/zinc/55/60/41/785556041.db2.gz PQHBHSSJVFJLMO-AAEUAGOBSA-N 1 2 341.843 0.612 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001072430872 786173833 /nfs/dbraw/zinc/17/38/33/786173833.db2.gz YZLHNDDVTXDXNT-OLZOCXBDSA-N 1 2 334.420 0.853 20 30 ECEDLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1NC(=O)CSCC#N ZINC001072452967 786206496 /nfs/dbraw/zinc/20/64/96/786206496.db2.gz GDPKBMSZAIHVHJ-OLZOCXBDSA-N 1 2 335.433 0.493 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001073526700 786478309 /nfs/dbraw/zinc/47/83/09/786478309.db2.gz ISWQRPWHVQDGDN-CQSZACIVSA-N 1 2 325.796 0.893 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001073526700 786478314 /nfs/dbraw/zinc/47/83/14/786478314.db2.gz ISWQRPWHVQDGDN-CQSZACIVSA-N 1 2 325.796 0.893 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnc4[nH]cnc4c3)C[C@H]21 ZINC001074259007 786534179 /nfs/dbraw/zinc/53/41/79/786534179.db2.gz GLSFFKOORMHWKD-CVEARBPZSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnc4[nH]cnc4c3)C[C@H]21 ZINC001074259007 786534182 /nfs/dbraw/zinc/53/41/82/786534182.db2.gz GLSFFKOORMHWKD-CVEARBPZSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccnc4ccnn43)C[C@@H]21 ZINC001074263910 786540382 /nfs/dbraw/zinc/54/03/82/786540382.db2.gz PGIWBLXOCJXLOI-JKSUJKDBSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccnc4ccnn43)C[C@@H]21 ZINC001074263910 786540387 /nfs/dbraw/zinc/54/03/87/786540387.db2.gz PGIWBLXOCJXLOI-JKSUJKDBSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C[C@@H]21 ZINC001074274835 786565967 /nfs/dbraw/zinc/56/59/67/786565967.db2.gz WAPGDDLRKDNNFU-JKSUJKDBSA-N 1 2 329.400 0.324 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C[C@@H]21 ZINC001074274835 786565969 /nfs/dbraw/zinc/56/59/69/786565969.db2.gz WAPGDDLRKDNNFU-JKSUJKDBSA-N 1 2 329.400 0.324 20 30 ECEDLO C#CCN1CCO[C@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]21 ZINC001074276228 786568707 /nfs/dbraw/zinc/56/87/07/786568707.db2.gz JWQFRVQONXMFCY-HOTGVXAUSA-N 1 2 330.432 0.862 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3cnccc3OC)C[C@@H]21 ZINC001074276758 786570596 /nfs/dbraw/zinc/57/05/96/786570596.db2.gz RWONMLYQZLGNLU-WMZOPIPTSA-N 1 2 343.427 0.958 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3cnccc3OC)C[C@@H]21 ZINC001074276758 786570600 /nfs/dbraw/zinc/57/06/00/786570600.db2.gz RWONMLYQZLGNLU-WMZOPIPTSA-N 1 2 343.427 0.958 20 30 ECEDLO C#CCCN1CCO[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]21 ZINC001074282065 786583725 /nfs/dbraw/zinc/58/37/25/786583725.db2.gz LJOAMVCFCIORIN-IAGOWNOFSA-N 1 2 346.431 0.675 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccn(CCOC)n3)C[C@H]21 ZINC001074290880 786606906 /nfs/dbraw/zinc/60/69/06/786606906.db2.gz CODTXZHFUAIEPZ-IAGOWNOFSA-N 1 2 346.431 0.468 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccn(CCOC)n3)C[C@H]21 ZINC001074290880 786606908 /nfs/dbraw/zinc/60/69/08/786606908.db2.gz CODTXZHFUAIEPZ-IAGOWNOFSA-N 1 2 346.431 0.468 20 30 ECEDLO C#CCCCC(=O)N1CCN(C2CN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001073565733 786623010 /nfs/dbraw/zinc/62/30/10/786623010.db2.gz JAWUNNJBWDDFIQ-UHFFFAOYSA-N 1 2 343.431 0.111 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccn4nnnc4c3)C[C@@H]21 ZINC001074315407 786657764 /nfs/dbraw/zinc/65/77/64/786657764.db2.gz VRCDUDZTEUSSTP-LSDHHAIUSA-N 1 2 340.387 0.063 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccn4nnnc4c3)C[C@@H]21 ZINC001074315407 786657772 /nfs/dbraw/zinc/65/77/72/786657772.db2.gz VRCDUDZTEUSSTP-LSDHHAIUSA-N 1 2 340.387 0.063 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@@H]21 ZINC001074340200 786708588 /nfs/dbraw/zinc/70/85/88/786708588.db2.gz GNYKXYPFKCWKPL-GJZGRUSLSA-N 1 2 332.404 0.605 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@@H]21 ZINC001074340200 786708594 /nfs/dbraw/zinc/70/85/94/786708594.db2.gz GNYKXYPFKCWKPL-GJZGRUSLSA-N 1 2 332.404 0.605 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]3OCC[N@@H+](CCOC)[C@@H]3C2)nn1 ZINC001074353891 786738415 /nfs/dbraw/zinc/73/84/15/786738415.db2.gz IBEDCMVIUFWQOH-CABCVRRESA-N 1 2 335.408 0.026 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]3OCC[N@H+](CCOC)[C@@H]3C2)nn1 ZINC001074353891 786738421 /nfs/dbraw/zinc/73/84/21/786738421.db2.gz IBEDCMVIUFWQOH-CABCVRRESA-N 1 2 335.408 0.026 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)COc3cccnc3)C[C@H]21 ZINC001074362537 786757778 /nfs/dbraw/zinc/75/77/78/786757778.db2.gz GTGLBASRLNEDTG-SJORKVTESA-N 1 2 329.400 0.785 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)COc3cccnc3)C[C@H]21 ZINC001074362537 786757787 /nfs/dbraw/zinc/75/77/87/786757787.db2.gz GTGLBASRLNEDTG-SJORKVTESA-N 1 2 329.400 0.785 20 30 ECEDLO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnc3cc[nH]cc-3c2=O)C1 ZINC001073623772 786793654 /nfs/dbraw/zinc/79/36/54/786793654.db2.gz QLRPIDRZYDVCNA-ZDUSSCGKSA-N 1 2 340.383 0.377 20 30 ECEDLO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnc3cc[nH]cc-3c2=O)C1 ZINC001073623772 786793661 /nfs/dbraw/zinc/79/36/61/786793661.db2.gz QLRPIDRZYDVCNA-ZDUSSCGKSA-N 1 2 340.383 0.377 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnc(OC)nc3)C[C@@H]21 ZINC001074376785 786796979 /nfs/dbraw/zinc/79/69/79/786796979.db2.gz AGTGMSSKWSASPP-GJZGRUSLSA-N 1 2 330.388 0.424 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnc(OC)nc3)C[C@@H]21 ZINC001074376785 786796988 /nfs/dbraw/zinc/79/69/88/786796988.db2.gz AGTGMSSKWSASPP-GJZGRUSLSA-N 1 2 330.388 0.424 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cccn(C)c3=O)C[C@H]21 ZINC001074383395 786815665 /nfs/dbraw/zinc/81/56/65/786815665.db2.gz ZESIUPLTAHXUQF-CVEARBPZSA-N 1 2 329.400 0.324 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccn(C)c3=O)C[C@H]21 ZINC001074383395 786815673 /nfs/dbraw/zinc/81/56/73/786815673.db2.gz ZESIUPLTAHXUQF-CVEARBPZSA-N 1 2 329.400 0.324 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc4n[nH]nc4c3)C[C@@H]21 ZINC001074404787 786875432 /nfs/dbraw/zinc/87/54/32/786875432.db2.gz IBTRQDHCSUTSPY-IRXDYDNUSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc4n[nH]nc4c3)C[C@@H]21 ZINC001074404787 786875444 /nfs/dbraw/zinc/87/54/44/786875444.db2.gz IBTRQDHCSUTSPY-IRXDYDNUSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)cn3)C[C@@H]21 ZINC001074417062 786917427 /nfs/dbraw/zinc/91/74/27/786917427.db2.gz HXAABAKVSHDSGR-JKSUJKDBSA-N 1 2 342.399 0.119 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)cn3)C[C@@H]21 ZINC001074417062 786917431 /nfs/dbraw/zinc/91/74/31/786917431.db2.gz HXAABAKVSHDSGR-JKSUJKDBSA-N 1 2 342.399 0.119 20 30 ECEDLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1NC(=O)CSCC#N ZINC001073744885 787108244 /nfs/dbraw/zinc/10/82/44/787108244.db2.gz RQSQMCGTGPXTGA-JSGCOSHPSA-N 1 2 349.460 0.573 20 30 ECEDLO C=CCCC(=O)N1CCC(O)(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001074510974 787129873 /nfs/dbraw/zinc/12/98/73/787129873.db2.gz XNGNJFFZDGCJCR-UHFFFAOYSA-N 1 2 334.420 0.399 20 30 ECEDLO CC(C)(C)C#CC(=O)N1CCC(O)(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001074583715 787326304 /nfs/dbraw/zinc/32/63/04/787326304.db2.gz MODIDRUFKTYNRR-UHFFFAOYSA-N 1 2 346.431 0.402 20 30 ECEDLO Cc1noc(C[N@@H+]2CCC3(CN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n1 ZINC001072592901 788386517 /nfs/dbraw/zinc/38/65/17/788386517.db2.gz TYYAIEJJDDFQIC-UHFFFAOYSA-N 1 2 326.360 0.926 20 30 ECEDLO Cc1noc(C[N@H+]2CCC3(CN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n1 ZINC001072592901 788386527 /nfs/dbraw/zinc/38/65/27/788386527.db2.gz TYYAIEJJDDFQIC-UHFFFAOYSA-N 1 2 326.360 0.926 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001074891904 788498244 /nfs/dbraw/zinc/49/82/44/788498244.db2.gz MCDRPAAVRUXORI-ZIAGYGMSSA-N 1 2 334.420 0.661 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC001075211711 789069784 /nfs/dbraw/zinc/06/97/84/789069784.db2.gz ZVUHAVHNFVGAGB-UONOGXRCSA-N 1 2 332.404 0.488 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001072931461 789130652 /nfs/dbraw/zinc/13/06/52/789130652.db2.gz GSCZDKMKDBJPJU-JTQLQIEISA-N 1 2 343.225 0.111 20 30 ECEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CNC(=O)N3)C2)C1 ZINC001072931461 789130657 /nfs/dbraw/zinc/13/06/57/789130657.db2.gz GSCZDKMKDBJPJU-JTQLQIEISA-N 1 2 343.225 0.111 20 30 ECEDLO NC(=O)C(=O)N1CC2(C1)CC[N@H+](CC#Cc1ccccc1Cl)C2 ZINC001072936186 789136830 /nfs/dbraw/zinc/13/68/30/789136830.db2.gz UEAIHECQSMQIOG-UHFFFAOYSA-N 1 2 331.803 0.711 20 30 ECEDLO NC(=O)C(=O)N1CC2(C1)CC[N@@H+](CC#Cc1ccccc1Cl)C2 ZINC001072936186 789136833 /nfs/dbraw/zinc/13/68/33/789136833.db2.gz UEAIHECQSMQIOG-UHFFFAOYSA-N 1 2 331.803 0.711 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@H+](Cc1nc(=O)n(C)[nH]1)C2 ZINC001072944558 789147685 /nfs/dbraw/zinc/14/76/85/789147685.db2.gz GFLDDKZKOZZCOM-MRXNPFEDSA-N 1 2 333.436 0.745 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+](Cc1nc(=O)n(C)[nH]1)C2 ZINC001072944558 789147689 /nfs/dbraw/zinc/14/76/89/789147689.db2.gz GFLDDKZKOZZCOM-MRXNPFEDSA-N 1 2 333.436 0.745 20 30 ECEDLO C[N@@H+]1CCO[C@H](C(=O)NC2(C)CCN(C(=O)C#CC(C)(C)C)CC2)C1 ZINC001073015790 789277464 /nfs/dbraw/zinc/27/74/64/789277464.db2.gz UJMJUFUFJILJMX-HNNXBMFYSA-N 1 2 349.475 0.864 20 30 ECEDLO C[N@H+]1CCO[C@H](C(=O)NC2(C)CCN(C(=O)C#CC(C)(C)C)CC2)C1 ZINC001073015790 789277470 /nfs/dbraw/zinc/27/74/70/789277470.db2.gz UJMJUFUFJILJMX-HNNXBMFYSA-N 1 2 349.475 0.864 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@@H+](Cc2cnn(C)n2)C3)nc1 ZINC001073134749 789505442 /nfs/dbraw/zinc/50/54/42/789505442.db2.gz PNDNFHKRXAEPOP-UHFFFAOYSA-N 1 2 336.399 0.540 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+](Cc2cnn(C)n2)C3)nc1 ZINC001073134749 789505452 /nfs/dbraw/zinc/50/54/52/789505452.db2.gz PNDNFHKRXAEPOP-UHFFFAOYSA-N 1 2 336.399 0.540 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001073215060 789617254 /nfs/dbraw/zinc/61/72/54/789617254.db2.gz FSPONBBZGACFQN-QGZVFWFLSA-N 1 2 334.420 0.777 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC001073347093 789748674 /nfs/dbraw/zinc/74/86/74/789748674.db2.gz JMXJOHHDAVXHGY-CYBMUJFWSA-N 1 2 334.420 0.898 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001073377186 789772426 /nfs/dbraw/zinc/77/24/26/789772426.db2.gz KRYOCIPSRHETTH-KDOFPFPSSA-N 1 2 348.447 0.954 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCCN1c1cnc(C#N)cn1 ZINC001069376130 789783582 /nfs/dbraw/zinc/78/35/82/789783582.db2.gz SLYOSJLECVWHEL-TZMCWYRMSA-N 1 2 325.376 0.718 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001073394728 789786911 /nfs/dbraw/zinc/78/69/11/789786911.db2.gz HIHGRVBUFRUPIF-LSDHHAIUSA-N 1 2 346.431 0.665 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1c1ccc(C#N)nn1 ZINC001069383486 789789407 /nfs/dbraw/zinc/78/94/07/789789407.db2.gz KJCYZKJHBVQRLG-AAEUAGOBSA-N 1 2 325.376 0.788 20 30 ECEDLO CC1(C)CN(C(=O)CSCC#N)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001073420424 789813622 /nfs/dbraw/zinc/81/36/22/789813622.db2.gz ANVDPEGQENWZGY-CYBMUJFWSA-N 1 2 349.460 0.883 20 30 ECEDLO CC1(C)CN(C(=O)CSCC#N)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001073473289 789877163 /nfs/dbraw/zinc/87/71/63/789877163.db2.gz XOAGQGKMPBKPSC-LBPRGKRZSA-N 1 2 349.460 0.952 20 30 ECEDLO CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1Nc1cnc(C#N)cn1 ZINC001069574680 789911248 /nfs/dbraw/zinc/91/12/48/789911248.db2.gz RBMOHNHZEPGUNX-CYBMUJFWSA-N 1 2 325.376 0.894 20 30 ECEDLO C=CCN1CCn2ncc(CNC(=O)[C@H]3CCc4[nH+]ccn4C3)c2C1 ZINC001069865154 790121492 /nfs/dbraw/zinc/12/14/92/790121492.db2.gz XJNIGQMZYHQTFH-AWEZNQCLSA-N 1 2 340.431 0.960 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3ccn(C)c(=O)c3)c2C1 ZINC001069865759 790122965 /nfs/dbraw/zinc/12/29/65/790122965.db2.gz PETXAQXZHKUOCD-UHFFFAOYSA-N 1 2 341.415 0.904 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3ccn(C)c(=O)c3)c2C1 ZINC001069865759 790122970 /nfs/dbraw/zinc/12/29/70/790122970.db2.gz PETXAQXZHKUOCD-UHFFFAOYSA-N 1 2 341.415 0.904 20 30 ECEDLO N#CCN1CCn2ncc(CNC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)c2C1 ZINC001069872793 790134515 /nfs/dbraw/zinc/13/45/15/790134515.db2.gz CUCTUPPTJGLGNW-CYBMUJFWSA-N 1 2 339.403 0.682 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2n[nH]c3c2CCCC3)[C@@H](n2ccnn2)C1 ZINC001069967076 790254521 /nfs/dbraw/zinc/25/45/21/790254521.db2.gz LXGIVRQDDPFIFM-CABCVRRESA-N 1 2 339.403 0.169 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2n[nH]c3c2CCCC3)[C@@H](n2ccnn2)C1 ZINC001069967076 790254527 /nfs/dbraw/zinc/25/45/27/790254527.db2.gz LXGIVRQDDPFIFM-CABCVRRESA-N 1 2 339.403 0.169 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)C[C@@H](NC(=O)C#CC1CC1)CO2 ZINC001068860942 791287965 /nfs/dbraw/zinc/28/79/65/791287965.db2.gz VNRHITAKPDDUSY-CQSZACIVSA-N 1 2 342.399 0.160 20 30 ECEDLO C=C(C)CCC(=O)N[C@@H]1COC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001068891581 791353411 /nfs/dbraw/zinc/35/34/11/791353411.db2.gz PYJZOOOJVZMGLD-AWEZNQCLSA-N 1 2 332.404 0.795 20 30 ECEDLO C=C(C)CCC(=O)N[C@@H]1COC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001068891317 791353809 /nfs/dbraw/zinc/35/38/09/791353809.db2.gz LLIBEIXQTSHHHE-ZDUSSCGKSA-N 1 2 332.404 0.795 20 30 ECEDLO C#CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)Cc1c[nH+]cn1C)CO2 ZINC001068935694 791456117 /nfs/dbraw/zinc/45/61/17/791456117.db2.gz URDVXJZVTYVOFJ-AWEZNQCLSA-N 1 2 344.415 0.252 20 30 ECEDLO C#CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)CCn1cc[nH+]c1)CO2 ZINC001068938083 791462939 /nfs/dbraw/zinc/46/29/39/791462939.db2.gz WDZVTIUXKHMBPA-OAHLLOKOSA-N 1 2 344.415 0.563 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1CC2(C1)C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)CO2 ZINC001068983387 791547569 /nfs/dbraw/zinc/54/75/69/791547569.db2.gz JJPBUFSKOYACAM-CHWSQXEVSA-N 1 2 348.403 0.029 20 30 ECEDLO N#Cc1nccnc1N1CC[NH+]([C@H]2CCN(C(=O)C3CC3)C2)CC1 ZINC001066693694 792008313 /nfs/dbraw/zinc/00/83/13/792008313.db2.gz DOAYORAIHQLHOG-AWEZNQCLSA-N 1 2 326.404 0.481 20 30 ECEDLO COCC(=O)N1CC[C@@H]([NH+]2CCN(c3ncccc3C#N)CC2)C1 ZINC001066696282 792010953 /nfs/dbraw/zinc/01/09/53/792010953.db2.gz FZWWBGQHWJZCJM-OAHLLOKOSA-N 1 2 329.404 0.323 20 30 ECEDLO Cc1cc(N2CC[NH+]([C@@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)ncn1 ZINC001066698012 792015540 /nfs/dbraw/zinc/01/55/40/792015540.db2.gz GLWQTKNQJXFETK-DZGCQCFKSA-N 1 2 328.420 0.668 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001066698565 792018019 /nfs/dbraw/zinc/01/80/19/792018019.db2.gz MMPULDTYQSFZMX-ZFWWWQNUSA-N 1 2 339.403 0.231 20 30 ECEDLO CC[C@@H](F)C(=O)N1CC[C@@H]([NH+]2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001066699804 792025821 /nfs/dbraw/zinc/02/58/21/792025821.db2.gz GFTANFHWXZZCHC-ZIAGYGMSSA-N 1 2 346.410 0.819 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)CCCN(C)C(=O)Cn2cc[nH+]c2)cn1 ZINC001067716446 792178443 /nfs/dbraw/zinc/17/84/43/792178443.db2.gz RWIQGZVEWQKTAB-UHFFFAOYSA-N 1 2 339.399 0.880 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C)c1ccnc(C#N)n1 ZINC001067767809 792256715 /nfs/dbraw/zinc/25/67/15/792256715.db2.gz KLYNWLZWSICBQW-CYBMUJFWSA-N 1 2 339.403 0.752 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1)c1nccnc1C#N ZINC001067803417 792308787 /nfs/dbraw/zinc/30/87/87/792308787.db2.gz YKGXFDWUGBOUFB-ZDUSSCGKSA-N 1 2 325.376 0.741 20 30 ECEDLO C[C@@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067993066 792554610 /nfs/dbraw/zinc/55/46/10/792554610.db2.gz HLVBUSUXRUVOFE-RISCZKNCSA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1Nc1cncc(C#N)n1 ZINC001067179569 792783555 /nfs/dbraw/zinc/78/35/55/792783555.db2.gz ZGNVMSYQKCHMHL-JSGCOSHPSA-N 1 2 325.376 0.894 20 30 ECEDLO CC1(C)CN(c2nccnc2C#N)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067327157 792995055 /nfs/dbraw/zinc/99/50/55/792995055.db2.gz POHJWXMXBOFZAT-CQSZACIVSA-N 1 2 339.403 0.966 20 30 ECEDLO C[C@H]1C[C@@H](CNc2cncc(C#N)n2)CN1C(=O)Cn1cc[nH+]c1 ZINC001068335666 793071023 /nfs/dbraw/zinc/07/10/23/793071023.db2.gz NXJVNSVXVUMAEG-STQMWFEESA-N 1 2 325.376 0.894 20 30 ECEDLO C[C@@H]1C[C@@H](CNc2cnc(C#N)cn2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001068346020 793093458 /nfs/dbraw/zinc/09/34/58/793093458.db2.gz DBEHHBLOKKDLNQ-NEPJUHHUSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@H]1CN(c2ccnc(C#N)n2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067403656 793105753 /nfs/dbraw/zinc/10/57/53/793105753.db2.gz QANIJGAKEBNYAJ-QWHCGFSZSA-N 1 2 325.376 0.576 20 30 ECEDLO C[C@H]1CN(c2ccc(C#N)nn2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067405569 793109040 /nfs/dbraw/zinc/10/90/40/793109040.db2.gz JWMLLXUCPLCRKA-SWLSCSKDSA-N 1 2 339.403 0.655 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](C)C2)n1 ZINC001067440535 793163745 /nfs/dbraw/zinc/16/37/45/793163745.db2.gz MFELDUYIQNRZRE-NHYWBVRUSA-N 1 2 339.403 0.954 20 30 ECEDLO C#CCCCC(=O)N1CC2(C1)CN(C(=O)CCc1[nH]cc[nH+]1)CCO2 ZINC001068389083 793181230 /nfs/dbraw/zinc/18/12/30/793181230.db2.gz WIGVVVWXQOETLZ-UHFFFAOYSA-N 1 2 344.415 0.586 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CN(C(=O)C#CC(C)C)CCO2 ZINC001068395197 793201752 /nfs/dbraw/zinc/20/17/52/793201752.db2.gz SIHMEUXXECIGRP-UHFFFAOYSA-N 1 2 344.415 0.360 20 30 ECEDLO C=CCCC(=O)N1CC2(C1)CN(C(=O)CCc1[nH+]ccn1C)CCO2 ZINC001068425225 793292849 /nfs/dbraw/zinc/29/28/49/793292849.db2.gz WTLVQECCDNIVND-UHFFFAOYSA-N 1 2 346.431 0.759 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CCOC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001068435596 793309893 /nfs/dbraw/zinc/30/98/93/793309893.db2.gz UVEOQEJEJMCXKN-CQSZACIVSA-N 1 2 346.431 0.994 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cncnc2)C1 ZINC001267541113 837726361 /nfs/dbraw/zinc/72/63/61/837726361.db2.gz VUORCUHVPUUZMI-OAHLLOKOSA-N 1 2 331.420 0.705 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cncnc2)C1 ZINC001267541113 837726363 /nfs/dbraw/zinc/72/63/63/837726363.db2.gz VUORCUHVPUUZMI-OAHLLOKOSA-N 1 2 331.420 0.705 20 30 ECEDLO CC(C)C#CC(=O)N(C)CC[NH+]1CCN([C@H](C)c2nncn2C)CC1 ZINC001267572713 837812066 /nfs/dbraw/zinc/81/20/66/837812066.db2.gz URSVTCFSPVKLMQ-MRXNPFEDSA-N 1 2 346.479 0.612 20 30 ECEDLO C#CCNC(=O)[C@H](C)N1CC[NH+](CCN(C)C(=O)[C@H](C)CC)CC1 ZINC001267573309 837815003 /nfs/dbraw/zinc/81/50/03/837815003.db2.gz DKXACQVGCKBRLJ-CVEARBPZSA-N 1 2 336.480 0.246 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(CCN(C)C(=O)[C@H](C)CC)CC1 ZINC001267573309 837815012 /nfs/dbraw/zinc/81/50/12/837815012.db2.gz DKXACQVGCKBRLJ-CVEARBPZSA-N 1 2 336.480 0.246 20 30 ECEDLO C=CC(C)(C)C(=O)N(C)CC[NH+]1CCN(CC(=O)NC2CC2)CC1 ZINC001267574272 837821244 /nfs/dbraw/zinc/82/12/44/837821244.db2.gz AJQZNUXHKAYDJE-UHFFFAOYSA-N 1 2 336.480 0.553 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N(C)CCN1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001267574745 837822761 /nfs/dbraw/zinc/82/27/61/837822761.db2.gz RQAMKJGDFPUUOT-OAHLLOKOSA-N 1 2 336.480 0.553 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N(C)CC[NH+]1CCN([C@@H]2CCNC2=O)CC1 ZINC001267574745 837822773 /nfs/dbraw/zinc/82/27/73/837822773.db2.gz RQAMKJGDFPUUOT-OAHLLOKOSA-N 1 2 336.480 0.553 20 30 ECEDLO C=CC(C)(C)C(=O)N(C)CCN1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001267574968 837824532 /nfs/dbraw/zinc/82/45/32/837824532.db2.gz YOSUKUYNMQFPHO-HNNXBMFYSA-N 1 2 336.480 0.505 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)c1nn(C)c2ccccc21 ZINC001267575985 837827601 /nfs/dbraw/zinc/82/76/01/837827601.db2.gz PZCHOVXCQHFHRZ-UHFFFAOYSA-N 1 2 340.431 0.786 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)c2nn(CC)nc2C)C1 ZINC001266254870 835560988 /nfs/dbraw/zinc/56/09/88/835560988.db2.gz YBMRQLHFQLHKGN-KBPBESRZSA-N 1 2 348.451 0.491 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2nn(CC)nc2C)C1 ZINC001266254870 835560995 /nfs/dbraw/zinc/56/09/95/835560995.db2.gz YBMRQLHFQLHKGN-KBPBESRZSA-N 1 2 348.451 0.491 20 30 ECEDLO C#CCCCCC(=O)NCC[N@@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC001266270633 835591003 /nfs/dbraw/zinc/59/10/03/835591003.db2.gz YOFBZRMWXZJSNK-UHFFFAOYSA-N 1 2 329.404 0.764 20 30 ECEDLO C#CCCCCC(=O)NCC[N@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC001266270633 835591007 /nfs/dbraw/zinc/59/10/07/835591007.db2.gz YOFBZRMWXZJSNK-UHFFFAOYSA-N 1 2 329.404 0.764 20 30 ECEDLO C[C@@H](C(=O)Nc1ncccn1)[N@H+](C)CCNC(=O)C#CC(C)(C)C ZINC001266273700 835595995 /nfs/dbraw/zinc/59/59/95/835595995.db2.gz YKNHYRSVMHVTFA-ZDUSSCGKSA-N 1 2 331.420 0.901 20 30 ECEDLO C[C@@H](C(=O)Nc1ncccn1)[N@@H+](C)CCNC(=O)C#CC(C)(C)C ZINC001266273700 835595998 /nfs/dbraw/zinc/59/59/98/835595998.db2.gz YKNHYRSVMHVTFA-ZDUSSCGKSA-N 1 2 331.420 0.901 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(CCNC(=O)c2cc(C)no2)CC1 ZINC001266279231 835606236 /nfs/dbraw/zinc/60/62/36/835606236.db2.gz JBHDWNWKNGCBAP-AWEZNQCLSA-N 1 2 349.435 0.021 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(CCNC(=O)[C@H]2CC=CCC2)CC1 ZINC001266279562 835607336 /nfs/dbraw/zinc/60/73/36/835607336.db2.gz VBVYDNDXVJWZEB-SJORKVTESA-N 1 2 348.491 0.767 20 30 ECEDLO CO[C@H](C)C(=O)NCC[NH+]1CCN(CC#Cc2ccccc2)CC1 ZINC001266281743 835610072 /nfs/dbraw/zinc/61/00/72/835610072.db2.gz YTXFJAMNCAKBLZ-QGZVFWFLSA-N 1 2 329.444 0.807 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCC[NH+]1CCN(Cc2cnccc2C)CC1 ZINC001266283581 835614595 /nfs/dbraw/zinc/61/45/95/835614595.db2.gz RSRITYGULZMJEX-IBGZPJMESA-N 1 2 346.475 0.951 20 30 ECEDLO C[C@H](c1cnccn1)[NH+]1CCN(CCNC(=O)C#CC2CC2)CC1 ZINC001266283758 835614711 /nfs/dbraw/zinc/61/47/11/835614711.db2.gz VBMUHIGDWFQEGQ-OAHLLOKOSA-N 1 2 327.432 0.685 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCN(CCNC(=O)CCC(=C)C)CC2)C1=O ZINC001266285605 835620105 /nfs/dbraw/zinc/62/01/05/835620105.db2.gz GBLMMHWMWPCLJS-KRWDZBQOSA-N 1 2 348.491 0.863 20 30 ECEDLO COCC#CC[NH+]1CCN(CCNC(=O)[C@]23CCC[C@H]2OCC3)CC1 ZINC001266288456 835632107 /nfs/dbraw/zinc/63/21/07/835632107.db2.gz XPGFYCKVLLHTER-MJGOQNOKSA-N 1 2 349.475 0.329 20 30 ECEDLO COCC#CCN1CC[NH+](CCNC(=O)[C@]23CCC[C@H]2OCC3)CC1 ZINC001266288456 835632110 /nfs/dbraw/zinc/63/21/10/835632110.db2.gz XPGFYCKVLLHTER-MJGOQNOKSA-N 1 2 349.475 0.329 20 30 ECEDLO C#CCN1CC[NH+](CCNC(=O)CCc2c(C)nn(C)c2C)CC1 ZINC001266290206 835634140 /nfs/dbraw/zinc/63/41/40/835634140.db2.gz QQPHOPOSMDPSNK-UHFFFAOYSA-N 1 2 331.464 0.337 20 30 ECEDLO CC#CCN1CC[NH+](CCNC(=O)Cc2c(C)cc(C)[nH]c2=O)CC1 ZINC001266290240 835634214 /nfs/dbraw/zinc/63/42/14/835634214.db2.gz RXEYRXQOYIRXRP-UHFFFAOYSA-N 1 2 344.459 0.704 20 30 ECEDLO Cn1cc(C(=O)NCC[NH+]2CCN(CC#N)CC2)c(C2CCCC2)n1 ZINC001266292602 835636995 /nfs/dbraw/zinc/63/69/95/835636995.db2.gz NUAUYEPBGIDHFI-UHFFFAOYSA-N 1 2 344.463 0.949 20 30 ECEDLO C#CCN1CC[NH+](CCNC(=O)[C@H](C)NC(=O)c2ccccc2)CC1 ZINC001266297233 835646326 /nfs/dbraw/zinc/64/63/26/835646326.db2.gz MRDJXAIUPZGDCX-INIZCTEOSA-N 1 2 342.443 0.172 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCCC3)C1 ZINC001266325086 835702499 /nfs/dbraw/zinc/70/24/99/835702499.db2.gz JQWOUITVKLXTMA-KGLIPLIRSA-N 1 2 345.447 0.714 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCCC3)C1 ZINC001266325086 835702502 /nfs/dbraw/zinc/70/25/02/835702502.db2.gz JQWOUITVKLXTMA-KGLIPLIRSA-N 1 2 345.447 0.714 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)c3ccccc23)C1 ZINC001266327477 835708290 /nfs/dbraw/zinc/70/82/90/835708290.db2.gz GEDGUCLVYHZIQB-CQSZACIVSA-N 1 2 338.411 0.732 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c3ccccc23)C1 ZINC001266327477 835708295 /nfs/dbraw/zinc/70/82/95/835708295.db2.gz GEDGUCLVYHZIQB-CQSZACIVSA-N 1 2 338.411 0.732 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cncc(N2CCCC2)n1 ZINC001266332223 835713612 /nfs/dbraw/zinc/71/36/12/835713612.db2.gz HJQVDANZXDHEIU-UHFFFAOYSA-N 1 2 346.435 0.041 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cncc(N2CCCC2)n1 ZINC001266332223 835713618 /nfs/dbraw/zinc/71/36/18/835713618.db2.gz HJQVDANZXDHEIU-UHFFFAOYSA-N 1 2 346.435 0.041 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@H](C=C)CC)C1 ZINC001266336148 835719923 /nfs/dbraw/zinc/71/99/23/835719923.db2.gz KPIOWKJTINBPGN-KGLIPLIRSA-N 1 2 336.436 0.791 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@H](C=C)CC)C1 ZINC001266336148 835719927 /nfs/dbraw/zinc/71/99/27/835719927.db2.gz KPIOWKJTINBPGN-KGLIPLIRSA-N 1 2 336.436 0.791 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC001266342437 835728116 /nfs/dbraw/zinc/72/81/16/835728116.db2.gz OWVFQQPCIMUXJY-FXAWDEMLSA-N 1 2 339.439 0.688 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC001266342437 835728122 /nfs/dbraw/zinc/72/81/22/835728122.db2.gz OWVFQQPCIMUXJY-FXAWDEMLSA-N 1 2 339.439 0.688 20 30 ECEDLO C[N@H+](CCNC(=O)c1c[nH]nc1-c1ccsc1)CC(=O)NCC#N ZINC001266342812 835729530 /nfs/dbraw/zinc/72/95/30/835729530.db2.gz WUFAKVHRAWBASP-UHFFFAOYSA-N 1 2 346.416 0.440 20 30 ECEDLO C[N@@H+](CCNC(=O)c1c[nH]nc1-c1ccsc1)CC(=O)NCC#N ZINC001266342812 835729539 /nfs/dbraw/zinc/72/95/39/835729539.db2.gz WUFAKVHRAWBASP-UHFFFAOYSA-N 1 2 346.416 0.440 20 30 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835765241 /nfs/dbraw/zinc/76/52/41/835765241.db2.gz FRHRIYYBSCNASQ-KRWDZBQOSA-N 1 2 340.427 0.548 20 30 ECEDLO C=C[C@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1)c1ccccc1 ZINC001266360909 835769259 /nfs/dbraw/zinc/76/92/59/835769259.db2.gz FHXRTLMYUIQETJ-KGLIPLIRSA-N 1 2 330.388 0.342 20 30 ECEDLO C=C[C@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1)c1ccccc1 ZINC001266360909 835769269 /nfs/dbraw/zinc/76/92/69/835769269.db2.gz FHXRTLMYUIQETJ-KGLIPLIRSA-N 1 2 330.388 0.342 20 30 ECEDLO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(=O)NC)C2)CCCC1 ZINC001266363771 835774871 /nfs/dbraw/zinc/77/48/71/835774871.db2.gz NQXFTIOBWYXAIJ-CYBMUJFWSA-N 1 2 336.436 0.769 20 30 ECEDLO C=CCC1(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(=O)NC)C2)CCCC1 ZINC001266363771 835774877 /nfs/dbraw/zinc/77/48/77/835774877.db2.gz NQXFTIOBWYXAIJ-CYBMUJFWSA-N 1 2 336.436 0.769 20 30 ECEDLO CCS(=O)(=O)CC(=O)N[C@H]1CC12CC[NH+](CC#CCOC)CC2 ZINC001266382511 835793262 /nfs/dbraw/zinc/79/32/62/835793262.db2.gz RAEYGJHUFDEGDF-AWEZNQCLSA-N 1 2 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/nfs/dbraw/zinc/55/75/68/838557568.db2.gz AUCHPNCJNQXYDD-HNNXBMFYSA-N 1 2 332.379 0.507 20 30 ECEDLO CCN(C(=O)[C@H](C)CSC)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267785993 838562732 /nfs/dbraw/zinc/56/27/32/838562732.db2.gz SKRVYHFXBTWCGS-CHWSQXEVSA-N 1 2 326.466 0.548 20 30 ECEDLO CCN(C(=O)[C@H](C)CSC)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267785993 838562743 /nfs/dbraw/zinc/56/27/43/838562743.db2.gz SKRVYHFXBTWCGS-CHWSQXEVSA-N 1 2 326.466 0.548 20 30 ECEDLO CCN(C(=O)c1ccncc1C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267785897 838562794 /nfs/dbraw/zinc/56/27/94/838562794.db2.gz XKMDSYXGSBDXIL-CQSZACIVSA-N 1 2 329.404 0.566 20 30 ECEDLO CCN(C(=O)c1ccncc1C)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267785897 838562799 /nfs/dbraw/zinc/56/27/99/838562799.db2.gz XKMDSYXGSBDXIL-CQSZACIVSA-N 1 2 329.404 0.566 20 30 ECEDLO CCN(C(=O)c1ccnc(OC)c1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267788171 838564920 /nfs/dbraw/zinc/56/49/20/838564920.db2.gz RMCCJZTXSMYMMR-CQSZACIVSA-N 1 2 345.403 0.266 20 30 ECEDLO CCN(C(=O)c1ccnc(OC)c1)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267788171 838564924 /nfs/dbraw/zinc/56/49/24/838564924.db2.gz RMCCJZTXSMYMMR-CQSZACIVSA-N 1 2 345.403 0.266 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(C3CC3)on2)C1 ZINC001267788083 838564995 /nfs/dbraw/zinc/56/49/95/838564995.db2.gz PPLQGNNRGJYWDF-CQSZACIVSA-N 1 2 344.415 0.838 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C3CC3)on2)C1 ZINC001267788083 838564999 /nfs/dbraw/zinc/56/49/99/838564999.db2.gz PPLQGNNRGJYWDF-CQSZACIVSA-N 1 2 344.415 0.838 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC001267931348 838812514 /nfs/dbraw/zinc/81/25/14/838812514.db2.gz QZPQWTOGBHYFFX-NWDGAFQWSA-N 1 2 348.407 0.004 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC001267931348 838812526 /nfs/dbraw/zinc/81/25/26/838812526.db2.gz QZPQWTOGBHYFFX-NWDGAFQWSA-N 1 2 348.407 0.004 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](C)C[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001267980758 838919695 /nfs/dbraw/zinc/91/96/95/838919695.db2.gz XLLKPCFXVGELDH-YVEFUNNKSA-N 1 2 347.419 0.192 20 30 ECEDLO C=CCC[C@@H](C)[N@H+]1CCO[C@H](CNC(=O)CS(=O)(=O)C(C)C)C1 ZINC001268028847 839044342 /nfs/dbraw/zinc/04/43/42/839044342.db2.gz OQJWJMBGECYVPR-HUUCEWRRSA-N 1 2 346.493 0.981 20 30 ECEDLO C=CCC[C@@H](C)[N@@H+]1CCO[C@H](CNC(=O)CS(=O)(=O)C(C)C)C1 ZINC001268028847 839044356 /nfs/dbraw/zinc/04/43/56/839044356.db2.gz OQJWJMBGECYVPR-HUUCEWRRSA-N 1 2 346.493 0.981 20 30 ECEDLO N#CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)CC[C@@H]1CCCO1)CC2 ZINC001268041596 839179301 /nfs/dbraw/zinc/17/93/01/839179301.db2.gz AXEGZBBOXBOJKM-HNNXBMFYSA-N 1 2 348.447 0.510 20 30 ECEDLO N#Cc1ncn(CC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)n1 ZINC000425951791 210125591 /nfs/dbraw/zinc/12/55/91/210125591.db2.gz QWMWMNPLPXCKPF-LBPRGKRZSA-N 1 2 346.416 0.401 20 30 ECEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000425284044 210031424 /nfs/dbraw/zinc/03/14/24/210031424.db2.gz CZXFBMDNGDZIAY-HIFRSBDPSA-N 1 2 333.388 0.135 20 30 ECEDLO Cc1cc(N2CC[NH+](CC(=O)N3CCOCC3)CC2)c(C#N)cn1 ZINC000425197702 210017525 /nfs/dbraw/zinc/01/75/25/210017525.db2.gz CWQHRKINCRVVEE-UHFFFAOYSA-N 1 2 329.404 0.243 20 30 ECEDLO COCc1noc(CN2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)n1 ZINC000191538868 239176096 /nfs/dbraw/zinc/17/60/96/239176096.db2.gz VKSPEABOWZHGMU-UHFFFAOYSA-N 1 2 330.392 0.744 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](CC(=O)NCc3cccnc3)CC2)nc1 ZINC000171920110 227363216 /nfs/dbraw/zinc/36/32/16/227363216.db2.gz KGTUFPUXGOPRKU-UHFFFAOYSA-N 1 2 336.399 0.787 20 30 ECEDLO COCC(COC)[NH+]1CCN(C(=O)c2ccc(C#N)c(C)n2)CC1 ZINC000412439601 208238562 /nfs/dbraw/zinc/23/85/62/208238562.db2.gz XMYKMWAFUSJBDI-UHFFFAOYSA-N 1 2 332.404 0.681 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000430697985 210397068 /nfs/dbraw/zinc/39/70/68/210397068.db2.gz UGYCMGZQYCONSD-UHFFFAOYSA-N 1 2 349.460 0.830 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000330876369 254644304 /nfs/dbraw/zinc/64/43/04/254644304.db2.gz VDGADCMOKFPGQM-KSSFIOAISA-N 1 2 337.464 0.905 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000336953151 254662325 /nfs/dbraw/zinc/66/23/25/254662325.db2.gz WJWYRYNTPCVBDP-VIFPVBQESA-N 1 2 339.343 0.871 20 30 ECEDLO C=CCc1cc(CNC(=O)CN2CC[NH2+]CC2=O)cc(OC)c1OC ZINC000430267076 254792155 /nfs/dbraw/zinc/79/21/55/254792155.db2.gz IQZFDMGABAXDRQ-UHFFFAOYSA-N 1 2 347.415 0.480 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC000154924508 224327870 /nfs/dbraw/zinc/32/78/70/224327870.db2.gz HFXUHCMNQXCILS-GFCCVEGCSA-N 1 2 328.376 0.008 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCN1C(=O)CCC1=O ZINC000154924508 224327873 /nfs/dbraw/zinc/32/78/73/224327873.db2.gz HFXUHCMNQXCILS-GFCCVEGCSA-N 1 2 328.376 0.008 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000195671422 533502007 /nfs/dbraw/zinc/50/20/07/533502007.db2.gz JPMWXOXSILUHGD-UONOGXRCSA-N 1 2 331.482 0.813 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000195671422 533502012 /nfs/dbraw/zinc/50/20/12/533502012.db2.gz JPMWXOXSILUHGD-UONOGXRCSA-N 1 2 331.482 0.813 20 30 ECEDLO CON=CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000495950189 285535218 /nfs/dbraw/zinc/53/52/18/285535218.db2.gz NLRWUPSWMMJFNQ-ZDUSSCGKSA-N 1 2 340.424 0.772 20 30 ECEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2cnn(C)c2C#N)CC1 ZINC000356122140 269926192 /nfs/dbraw/zinc/92/61/92/269926192.db2.gz YGNKRQGQMSACIN-UHFFFAOYSA-N 1 2 341.419 0.600 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)CC[N@@H+]1CCO ZINC000188726053 263162456 /nfs/dbraw/zinc/16/24/56/263162456.db2.gz WCJUJQBGXSZFQM-LLVKDONJSA-N 1 2 327.381 0.384 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)CC[N@H+]1CCO ZINC000188726053 263162457 /nfs/dbraw/zinc/16/24/57/263162457.db2.gz WCJUJQBGXSZFQM-LLVKDONJSA-N 1 2 327.381 0.384 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1cc(N)c([N+](=O)[O-])c(C#N)c1 ZINC000283788856 264152569 /nfs/dbraw/zinc/15/25/69/264152569.db2.gz RPFJRTJPXNFNPQ-CYBMUJFWSA-N 1 2 335.364 0.178 20 30 ECEDLO Cn1nc([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(C#N)cc2)nc1N ZINC000284285015 264194460 /nfs/dbraw/zinc/19/44/60/264194460.db2.gz NOUQWPVVFFEOOJ-HIFRSBDPSA-N 1 2 342.403 0.846 20 30 ECEDLO Cn1nc([C@@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(C#N)cc2)nc1N ZINC000284285015 264194462 /nfs/dbraw/zinc/19/44/62/264194462.db2.gz NOUQWPVVFFEOOJ-HIFRSBDPSA-N 1 2 342.403 0.846 20 30 ECEDLO N#Cc1ncn(CCNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000367847713 270007599 /nfs/dbraw/zinc/00/75/99/270007599.db2.gz IWIUNTWZMWABKG-CYBMUJFWSA-N 1 2 327.348 0.408 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000533761455 270008387 /nfs/dbraw/zinc/00/83/87/270008387.db2.gz JHQILRIUSGRRJP-GFCCVEGCSA-N 1 2 337.401 0.468 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000533761455 270008388 /nfs/dbraw/zinc/00/83/88/270008388.db2.gz JHQILRIUSGRRJP-GFCCVEGCSA-N 1 2 337.401 0.468 20 30 ECEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000348193017 267142951 /nfs/dbraw/zinc/14/29/51/267142951.db2.gz ZCPOKXZRGOXVOY-JDNHERCYSA-N 1 2 348.428 0.358 20 30 ECEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000348193017 267142953 /nfs/dbraw/zinc/14/29/53/267142953.db2.gz ZCPOKXZRGOXVOY-JDNHERCYSA-N 1 2 348.428 0.358 20 30 ECEDLO C[C@H](CNS(=O)(=O)c1ccc(C#N)s1)C[NH+]1CCOCC1 ZINC000331223536 267163529 /nfs/dbraw/zinc/16/35/29/267163529.db2.gz LSEADCVLXFEZIQ-LLVKDONJSA-N 1 2 329.447 0.866 20 30 ECEDLO C[C@H]1CN(c2ccc(CNC(=O)c3cnn(C)c3C#N)c[nH+]2)CCO1 ZINC000354587330 267238833 /nfs/dbraw/zinc/23/88/33/267238833.db2.gz SJDFSXIYLYIXTG-LBPRGKRZSA-N 1 2 340.387 0.842 20 30 ECEDLO C[C@H]1C[NH+]=C(N2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)S1 ZINC000288223516 267242472 /nfs/dbraw/zinc/24/24/72/267242472.db2.gz RMZGOHCXPDWMMY-JTQLQIEISA-N 1 2 340.430 0.949 20 30 ECEDLO N#Cc1ccc(C(F)(F)F)nc1N1CCC[N@@H+](CC(N)=O)CC1 ZINC000363219752 268050260 /nfs/dbraw/zinc/05/02/60/268050260.db2.gz VNAQAWPFJLIGTC-UHFFFAOYSA-N 1 2 327.310 0.969 20 30 ECEDLO N#Cc1ccc(C(F)(F)F)nc1N1CCC[N@H+](CC(N)=O)CC1 ZINC000363219752 268050261 /nfs/dbraw/zinc/05/02/61/268050261.db2.gz VNAQAWPFJLIGTC-UHFFFAOYSA-N 1 2 327.310 0.969 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[NH+]2CCN(c3cnccn3)CC2)cc1 ZINC000298457543 268068729 /nfs/dbraw/zinc/06/87/29/268068729.db2.gz JZRZKQYATSBGOU-UHFFFAOYSA-N 1 2 336.399 0.787 20 30 ECEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)cc1 ZINC000363084153 268139155 /nfs/dbraw/zinc/13/91/55/268139155.db2.gz GEHQZCXBBMTKIW-HNNXBMFYSA-N 1 2 327.388 0.986 20 30 ECEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](N3CCNC3=O)C2)cc1 ZINC000363084153 268139157 /nfs/dbraw/zinc/13/91/57/268139157.db2.gz GEHQZCXBBMTKIW-HNNXBMFYSA-N 1 2 327.388 0.986 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CCN2CCC[N@@H+](C3CC3)CC2)nc1 ZINC000377561934 268186959 /nfs/dbraw/zinc/18/69/59/268186959.db2.gz IIZRWPTXBMMXLU-UHFFFAOYSA-N 1 2 334.445 0.897 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CCN2CCC[N@H+](C3CC3)CC2)nc1 ZINC000377561934 268186961 /nfs/dbraw/zinc/18/69/61/268186961.db2.gz IIZRWPTXBMMXLU-UHFFFAOYSA-N 1 2 334.445 0.897 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)o1 ZINC000376353035 268194096 /nfs/dbraw/zinc/19/40/96/268194096.db2.gz PYUWOZQFYAIEIY-OLZOCXBDSA-N 1 2 325.390 0.371 20 30 ECEDLO N#Cc1ccc(SCC(=O)N(CCO)CC[NH+]2CCOCC2)cc1 ZINC000344819485 268209014 /nfs/dbraw/zinc/20/90/14/268209014.db2.gz UNQDNDNVDJWXKE-UHFFFAOYSA-N 1 2 349.456 0.803 20 30 ECEDLO N#Cc1ccnc(N2CC[NH+]([C@H]3CCCCNC3=O)CC2)c1[N+](=O)[O-] ZINC000363893083 268295493 /nfs/dbraw/zinc/29/54/93/268295493.db2.gz XZJJUJWNOHIYIM-ZDUSSCGKSA-N 1 2 344.375 0.652 20 30 ECEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@](O)(C(N)=O)C2)C1=O ZINC000286157880 268303756 /nfs/dbraw/zinc/30/37/56/268303756.db2.gz LSCPCOOVEFPWFE-IAQYHMDHSA-N 1 2 334.401 0.037 20 30 ECEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@](O)(C(N)=O)C2)C1=O ZINC000286157880 268303758 /nfs/dbraw/zinc/30/37/58/268303758.db2.gz LSCPCOOVEFPWFE-IAQYHMDHSA-N 1 2 334.401 0.037 20 30 ECEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000189397263 437595815 /nfs/dbraw/zinc/59/58/15/437595815.db2.gz OVGKIVMAKCTHOG-LBPRGKRZSA-N 1 2 330.388 0.330 20 30 ECEDLO CC[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)CCO1 ZINC000354367873 437598718 /nfs/dbraw/zinc/59/87/18/437598718.db2.gz WCTNRRTUTKUFFX-AWEZNQCLSA-N 1 2 348.378 0.863 20 30 ECEDLO CC[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)CCO1 ZINC000354367873 437598709 /nfs/dbraw/zinc/59/87/09/437598709.db2.gz WCTNRRTUTKUFFX-AWEZNQCLSA-N 1 2 348.378 0.863 20 30 ECEDLO C[C@H]([C@H](C)NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[NH+]1CCOCC1 ZINC000105739415 278303962 /nfs/dbraw/zinc/30/39/62/278303962.db2.gz MGUGJKYIPNYKDL-NWDGAFQWSA-N 1 2 348.378 0.861 20 30 ECEDLO CCN1CCN([C@H](C)C(=O)NC(=O)NC(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000330971255 279369962 /nfs/dbraw/zinc/36/99/62/279369962.db2.gz GGJJXCXIHRZFQO-OLZOCXBDSA-N 1 2 336.440 0.915 20 30 ECEDLO C=CC[N@@H+](C)CCN(CC)CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000340209170 437601789 /nfs/dbraw/zinc/60/17/89/437601789.db2.gz IWELZZCUNYEUKR-HNNXBMFYSA-N 1 2 345.509 0.462 20 30 ECEDLO C=CC[N@H+](C)CCN(CC)CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000340209170 437601794 /nfs/dbraw/zinc/60/17/94/437601794.db2.gz IWELZZCUNYEUKR-HNNXBMFYSA-N 1 2 345.509 0.462 20 30 ECEDLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC[N@H+]1CCO ZINC000190028956 437617645 /nfs/dbraw/zinc/61/76/45/437617645.db2.gz YSIVXRCHHGDJJS-NSHDSACASA-N 1 2 334.351 0.161 20 30 ECEDLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC[N@@H+]1CCO ZINC000190028956 437617638 /nfs/dbraw/zinc/61/76/38/437617638.db2.gz YSIVXRCHHGDJJS-NSHDSACASA-N 1 2 334.351 0.161 20 30 ECEDLO C[C@H](NC(=O)N1CCO[C@]2(CCO[C@@H]2C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000329904257 297946159 /nfs/dbraw/zinc/94/61/59/297946159.db2.gz IZMAXGHDJVZVSI-LJIGWXMPSA-N 1 2 341.452 0.889 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000433079245 298135081 /nfs/dbraw/zinc/13/50/81/298135081.db2.gz YUSHYTAHFJCQOC-CHWSQXEVSA-N 1 2 327.450 0.694 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000433079245 298135083 /nfs/dbraw/zinc/13/50/83/298135083.db2.gz YUSHYTAHFJCQOC-CHWSQXEVSA-N 1 2 327.450 0.694 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000374579039 298278094 /nfs/dbraw/zinc/27/80/94/298278094.db2.gz KRVLFNVHSKTFPR-KFWWJZLASA-N 1 2 344.481 0.698 20 30 ECEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 ZINC000071945735 436033574 /nfs/dbraw/zinc/03/35/74/436033574.db2.gz QQMSNPPNSQNJFX-UHFFFAOYSA-N 1 2 340.383 0.351 20 30 ECEDLO COCCCNC(=O)C[N@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000072981302 436063948 /nfs/dbraw/zinc/06/39/48/436063948.db2.gz IWOKKPDARNCGHC-CJNGLKHVSA-N 1 2 326.441 0.514 20 30 ECEDLO COCCCNC(=O)C[N@@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000072981302 436063954 /nfs/dbraw/zinc/06/39/54/436063954.db2.gz IWOKKPDARNCGHC-CJNGLKHVSA-N 1 2 326.441 0.514 20 30 ECEDLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108309 436069996 /nfs/dbraw/zinc/06/99/96/436069996.db2.gz AKFFJCCWTMTJNF-AWEZNQCLSA-N 1 2 329.404 0.323 20 30 ECEDLO COCCNC(=O)CN1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000023304546 436123793 /nfs/dbraw/zinc/12/37/93/436123793.db2.gz QMEOSJSMSOMFNZ-UHFFFAOYSA-N 1 2 346.431 0.317 20 30 ECEDLO CN(C)C(=O)C[NH+]1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000032542904 436240030 /nfs/dbraw/zinc/24/00/30/436240030.db2.gz CJZHIGDPUMFTJM-UHFFFAOYSA-N 1 2 329.404 0.203 20 30 ECEDLO CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029447711 436202237 /nfs/dbraw/zinc/20/22/37/436202237.db2.gz MKHLNOAXMPZZPX-ZDUSSCGKSA-N 1 2 344.419 0.698 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000076398015 436202583 /nfs/dbraw/zinc/20/25/83/436202583.db2.gz OHWQLBPQXHWQCE-NSHDSACASA-N 1 2 336.358 0.957 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000076398015 436202591 /nfs/dbraw/zinc/20/25/91/436202591.db2.gz OHWQLBPQXHWQCE-NSHDSACASA-N 1 2 336.358 0.957 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@H](C)OC[C@@H]3C)CC2)o1 ZINC000029721030 436206894 /nfs/dbraw/zinc/20/68/94/436206894.db2.gz SCIVMSGKFQCUAR-STQMWFEESA-N 1 2 347.419 0.613 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@H](C)OC[C@@H]3C)CC2)o1 ZINC000029721030 436206898 /nfs/dbraw/zinc/20/68/98/436206898.db2.gz SCIVMSGKFQCUAR-STQMWFEESA-N 1 2 347.419 0.613 20 30 ECEDLO N#Cc1c(F)cccc1N1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000029860517 436210284 /nfs/dbraw/zinc/21/02/84/436210284.db2.gz LZLIXDORKZUAAC-UHFFFAOYSA-N 1 2 330.363 0.968 20 30 ECEDLO N#CCNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000076668374 436213809 /nfs/dbraw/zinc/21/38/09/436213809.db2.gz GNDIERRBBOKGQP-UHFFFAOYSA-N 1 2 336.417 0.069 20 30 ECEDLO CCN(CCC#N)C(=O)CN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000076795324 436215131 /nfs/dbraw/zinc/21/51/31/436215131.db2.gz HKQGHOBWZVJTAV-UHFFFAOYSA-N 1 2 349.479 0.379 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000030595155 436220896 /nfs/dbraw/zinc/22/08/96/436220896.db2.gz OBILIEBANXRELR-AWEZNQCLSA-N 1 2 341.419 0.475 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CNc2cccc(F)c2)CC1 ZINC000077987073 436259009 /nfs/dbraw/zinc/25/90/09/436259009.db2.gz XAVSISSVXGNDLP-UHFFFAOYSA-N 1 2 346.406 0.521 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CNc2cccc(F)c2)CC1 ZINC000077987073 436259014 /nfs/dbraw/zinc/25/90/14/436259014.db2.gz XAVSISSVXGNDLP-UHFFFAOYSA-N 1 2 346.406 0.521 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2cncc(-n3cccn3)n2)CC1 ZINC000078400071 436266492 /nfs/dbraw/zinc/26/64/92/436266492.db2.gz HOKLLJGROJZJTL-UHFFFAOYSA-N 1 2 327.392 0.087 20 30 ECEDLO CCNC(=O)N1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000078615684 436272934 /nfs/dbraw/zinc/27/29/34/436272934.db2.gz CXQKQZNDWBSCHK-OAHLLOKOSA-N 1 2 332.404 0.645 20 30 ECEDLO CS(=O)(=O)N[C@H]1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000041621909 436278767 /nfs/dbraw/zinc/27/87/67/436278767.db2.gz PDRWIXKOJJAQED-ZDUSSCGKSA-N 1 2 342.465 0.343 20 30 ECEDLO CS(=O)(=O)N[C@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000041621909 436278774 /nfs/dbraw/zinc/27/87/74/436278774.db2.gz PDRWIXKOJJAQED-ZDUSSCGKSA-N 1 2 342.465 0.343 20 30 ECEDLO COCC[NH+](CCOC)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081512361 436348360 /nfs/dbraw/zinc/34/83/60/436348360.db2.gz QUYGYIOWTMOMLP-UHFFFAOYSA-N 1 2 326.418 0.927 20 30 ECEDLO CC(=O)N1CC[NH+](CCNC(=O)CCc2ccc(C#N)cc2)CC1 ZINC000046823216 436401140 /nfs/dbraw/zinc/40/11/40/436401140.db2.gz DCEPZDJIFUQOQW-UHFFFAOYSA-N 1 2 328.416 0.771 20 30 ECEDLO COC[C@@H]1C[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CCO1 ZINC000091581556 436455542 /nfs/dbraw/zinc/45/55/42/436455542.db2.gz ZUUCOYBKDANCAQ-HOTGVXAUSA-N 1 2 338.452 0.026 20 30 ECEDLO COC[C@@H]1C[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CCO1 ZINC000091581556 436455546 /nfs/dbraw/zinc/45/55/46/436455546.db2.gz ZUUCOYBKDANCAQ-HOTGVXAUSA-N 1 2 338.452 0.026 20 30 ECEDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000092841544 436476779 /nfs/dbraw/zinc/47/67/79/436476779.db2.gz NSHLDQFGJPHWSC-OCCSQVGLSA-N 1 2 330.454 0.054 20 30 ECEDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000092841544 436476780 /nfs/dbraw/zinc/47/67/80/436476780.db2.gz NSHLDQFGJPHWSC-OCCSQVGLSA-N 1 2 330.454 0.054 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000051734592 436495650 /nfs/dbraw/zinc/49/56/50/436495650.db2.gz HIAJSGLILYVGNN-CQSZACIVSA-N 1 2 331.482 0.815 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000051734592 436495656 /nfs/dbraw/zinc/49/56/56/436495656.db2.gz HIAJSGLILYVGNN-CQSZACIVSA-N 1 2 331.482 0.815 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CC(=O)N(C)C2CCCCC2)CC1 ZINC000053423590 436532051 /nfs/dbraw/zinc/53/20/51/436532051.db2.gz KMIFLTZMCKLXMY-UHFFFAOYSA-N 1 2 336.480 0.697 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2ccncc2)CC1 ZINC000104007792 436555708 /nfs/dbraw/zinc/55/57/08/436555708.db2.gz GUDUTFLSRSYMJC-SNAWJCMRSA-N 1 2 326.400 0.379 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2ccncc2)CC1 ZINC000104007792 436555712 /nfs/dbraw/zinc/55/57/12/436555712.db2.gz GUDUTFLSRSYMJC-SNAWJCMRSA-N 1 2 326.400 0.379 20 30 ECEDLO C[C@@H](NC(=O)CO[NH+]=C(N)CN1CCOCC1)c1cccs1 ZINC000111182169 436630512 /nfs/dbraw/zinc/63/05/12/436630512.db2.gz UTAGEKIZVXAIEK-LLVKDONJSA-N 1 2 326.422 0.546 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N1CCN(S(=O)(=O)CCCC#N)CC1 ZINC000111326807 436630674 /nfs/dbraw/zinc/63/06/74/436630674.db2.gz QYQPITHHVZNAMI-UHFFFAOYSA-N 1 2 349.420 0.119 20 30 ECEDLO C=CC1CC[NH+](CC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000111693228 436631482 /nfs/dbraw/zinc/63/14/82/436631482.db2.gz BOAQPOQRWTVHEQ-OAHLLOKOSA-N 1 2 344.477 0.547 20 30 ECEDLO C#CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000112506533 436633420 /nfs/dbraw/zinc/63/34/20/436633420.db2.gz MRHNPPWEEJVOMO-CQSZACIVSA-N 1 2 344.419 0.214 20 30 ECEDLO C#CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000112506533 436633421 /nfs/dbraw/zinc/63/34/21/436633421.db2.gz MRHNPPWEEJVOMO-CQSZACIVSA-N 1 2 344.419 0.214 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(c2nnc(C)c(C)c2C#N)CC1 ZINC000114183067 436639957 /nfs/dbraw/zinc/63/99/57/436639957.db2.gz PGHZHUKJBKDQNE-UHFFFAOYSA-N 1 2 326.404 0.227 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2nnc(C)c(C)c2C#N)CC1 ZINC000114183067 436639959 /nfs/dbraw/zinc/63/99/59/436639959.db2.gz PGHZHUKJBKDQNE-UHFFFAOYSA-N 1 2 326.404 0.227 20 30 ECEDLO COc1cc(C#N)ccc1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000546003087 302242567 /nfs/dbraw/zinc/24/25/67/302242567.db2.gz JETIDXKGBTUGLH-UHFFFAOYSA-N 1 2 327.344 0.908 20 30 ECEDLO COc1cc(C#N)ccc1NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000546001840 302242781 /nfs/dbraw/zinc/24/27/81/302242781.db2.gz LFDZITRJEROXBS-CQSZACIVSA-N 1 2 348.403 0.724 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000193793897 436653237 /nfs/dbraw/zinc/65/32/37/436653237.db2.gz XUFNQETYSJFQDV-GFCCVEGCSA-N 1 2 335.429 0.554 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000193793897 436653238 /nfs/dbraw/zinc/65/32/38/436653238.db2.gz XUFNQETYSJFQDV-GFCCVEGCSA-N 1 2 335.429 0.554 20 30 ECEDLO N#Cc1cscc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000550855704 302350586 /nfs/dbraw/zinc/35/05/86/302350586.db2.gz MDTVQSZDHQMSBG-ZDUSSCGKSA-N 1 2 348.428 0.283 20 30 ECEDLO N#CCNC(=O)C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000066497904 436688274 /nfs/dbraw/zinc/68/82/74/436688274.db2.gz HRKQWXFDSOODCQ-UHFFFAOYSA-N 1 2 326.360 0.951 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)CC[C@@H](CC(C)C)C2=O)CC1 ZINC000119200286 436665777 /nfs/dbraw/zinc/66/57/77/436665777.db2.gz JAPDGYRDBKSZKX-HNNXBMFYSA-N 1 2 333.432 0.575 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)COc2ccccc2O)CC1 ZINC000269419390 436665851 /nfs/dbraw/zinc/66/58/51/436665851.db2.gz DAKINEPHXCIRBT-UHFFFAOYSA-N 1 2 345.399 0.055 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)COc2ccccc2O)CC1 ZINC000269419390 436665853 /nfs/dbraw/zinc/66/58/53/436665853.db2.gz DAKINEPHXCIRBT-UHFFFAOYSA-N 1 2 345.399 0.055 20 30 ECEDLO N#Cc1csc(C[NH+]2CCN(CC(=O)N3CCOCC3)CC2)c1 ZINC000119979089 436676138 /nfs/dbraw/zinc/67/61/38/436676138.db2.gz IVCOMNXHLXBLMR-UHFFFAOYSA-N 1 2 334.445 0.596 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ncccc2CC)CC1 ZINC000271002318 436677886 /nfs/dbraw/zinc/67/78/86/436677886.db2.gz GMPKNNNGTSHKIJ-UHFFFAOYSA-N 1 2 328.416 0.541 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ncccc2CC)CC1 ZINC000271002318 436677889 /nfs/dbraw/zinc/67/78/89/436677889.db2.gz GMPKNNNGTSHKIJ-UHFFFAOYSA-N 1 2 328.416 0.541 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(OC)c2)CC1 ZINC000066436976 436684736 /nfs/dbraw/zinc/68/47/36/436684736.db2.gz NLLMKDMOWADYCT-UHFFFAOYSA-N 1 2 329.400 0.593 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(OC)c2)CC1 ZINC000066436976 436684739 /nfs/dbraw/zinc/68/47/39/436684739.db2.gz NLLMKDMOWADYCT-UHFFFAOYSA-N 1 2 329.400 0.593 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000120422405 436686146 /nfs/dbraw/zinc/68/61/46/436686146.db2.gz BVABLMDSZZAZFT-ZFWWWQNUSA-N 1 2 341.477 0.732 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000120422405 436686150 /nfs/dbraw/zinc/68/61/50/436686150.db2.gz BVABLMDSZZAZFT-ZFWWWQNUSA-N 1 2 341.477 0.732 20 30 ECEDLO COc1cc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)ncn1 ZINC000272999346 436732202 /nfs/dbraw/zinc/73/22/02/436732202.db2.gz SGUSQHPDTLXNQQ-UHFFFAOYSA-N 1 2 334.380 0.565 20 30 ECEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000153053192 436746835 /nfs/dbraw/zinc/74/68/35/436746835.db2.gz ZVLQCTGLXLZSFP-SJORKVTESA-N 1 2 345.447 0.888 20 30 ECEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000153053192 436746839 /nfs/dbraw/zinc/74/68/39/436746839.db2.gz ZVLQCTGLXLZSFP-SJORKVTESA-N 1 2 345.447 0.888 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(C)S(=O)(=O)c2cccs2)CC1 ZINC000128365625 436814873 /nfs/dbraw/zinc/81/48/73/436814873.db2.gz OQRGZNSWAKZHAI-UHFFFAOYSA-N 1 2 341.458 0.146 20 30 ECEDLO COCCOCCO[NH+]=C(N)COc1cccc(C(=O)OC)c1 ZINC000273581009 436769406 /nfs/dbraw/zinc/76/94/06/436769406.db2.gz ORFMEHXHSPZVLB-UHFFFAOYSA-N 1 2 326.349 0.804 20 30 ECEDLO COC[C@H]1C[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CCO1 ZINC000246224621 436775845 /nfs/dbraw/zinc/77/58/45/436775845.db2.gz ZUUCOYBKDANCAQ-HZPDHXFCSA-N 1 2 338.452 0.026 20 30 ECEDLO COC[C@H]1C[N@@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CCO1 ZINC000246224621 436775848 /nfs/dbraw/zinc/77/58/48/436775848.db2.gz ZUUCOYBKDANCAQ-HZPDHXFCSA-N 1 2 338.452 0.026 20 30 ECEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000246751076 436786317 /nfs/dbraw/zinc/78/63/17/436786317.db2.gz SBDXCEQLNVMJTE-QZTJIDSGSA-N 1 2 348.443 0.992 20 30 ECEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000246751076 436786318 /nfs/dbraw/zinc/78/63/18/436786318.db2.gz SBDXCEQLNVMJTE-QZTJIDSGSA-N 1 2 348.443 0.992 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2nc(C)c([C@H](C)C(=O)OC)c2C)CC1 ZINC000159272993 436856427 /nfs/dbraw/zinc/85/64/27/436856427.db2.gz YPBRXTUZPMNVNE-ZDUSSCGKSA-N 1 2 346.431 0.554 20 30 ECEDLO NS(=O)(=O)CC[NH+]1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000132077850 436859983 /nfs/dbraw/zinc/85/99/83/436859983.db2.gz DVSJZXKESLVZJZ-UHFFFAOYSA-N 1 2 341.864 0.598 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cnc3cc(OC)ccc3c2=O)CC1 ZINC000159909798 436864633 /nfs/dbraw/zinc/86/46/33/436864633.db2.gz OCKTYOPRUDMWGR-UHFFFAOYSA-N 1 2 340.383 0.183 20 30 ECEDLO CCC[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC000249727732 436826190 /nfs/dbraw/zinc/82/61/90/436826190.db2.gz RBRFNWFFUHROKD-KBPBESRZSA-N 1 2 329.466 0.894 20 30 ECEDLO CCC[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC000249727732 436826191 /nfs/dbraw/zinc/82/61/91/436826191.db2.gz RBRFNWFFUHROKD-KBPBESRZSA-N 1 2 329.466 0.894 20 30 ECEDLO N#Cc1ccc(F)cc1CN1CC[NH+](CCS(N)(=O)=O)CC1 ZINC000160864292 436879383 /nfs/dbraw/zinc/87/93/83/436879383.db2.gz VKJHLZQXKHFUCC-UHFFFAOYSA-N 1 2 326.397 0.103 20 30 ECEDLO Cc1noc(CCCC(=O)N(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000161682467 436896178 /nfs/dbraw/zinc/89/61/78/436896178.db2.gz DXGARVWGUCVCCN-UHFFFAOYSA-N 1 2 335.408 0.775 20 30 ECEDLO C[C@@H](C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)[NH+]1CCN(C)CC1 ZINC000293664000 436897570 /nfs/dbraw/zinc/89/75/70/436897570.db2.gz HXUFODIXTMFKMO-HOCLYGCPSA-N 1 2 343.431 0.569 20 30 ECEDLO N#CC1(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000134729900 436904755 /nfs/dbraw/zinc/90/47/55/436904755.db2.gz SQIVRFRDSUTICR-UHFFFAOYSA-N 1 2 341.415 0.930 20 30 ECEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000293777258 436908505 /nfs/dbraw/zinc/90/85/05/436908505.db2.gz SQMCGLQSLHXVTL-GXTWGEPZSA-N 1 2 343.387 0.213 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000263670248 436975714 /nfs/dbraw/zinc/97/57/14/436975714.db2.gz CJLREGICDDYDFV-ZDUSSCGKSA-N 1 2 325.409 0.022 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000263670248 436975716 /nfs/dbraw/zinc/97/57/16/436975716.db2.gz CJLREGICDDYDFV-ZDUSSCGKSA-N 1 2 325.409 0.022 20 30 ECEDLO CC1(C)COCC[N@@H+]1CCNC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000170877822 436958588 /nfs/dbraw/zinc/95/85/88/436958588.db2.gz GOINNHMZTHQWJY-UHFFFAOYSA-N 1 2 344.415 0.515 20 30 ECEDLO CC1(C)COCC[N@H+]1CCNC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000170877822 436958592 /nfs/dbraw/zinc/95/85/92/436958592.db2.gz GOINNHMZTHQWJY-UHFFFAOYSA-N 1 2 344.415 0.515 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NC(=O)NCc2ccco2)C1=O ZINC000281282788 436959946 /nfs/dbraw/zinc/95/99/46/436959946.db2.gz IUNFUUFNCMJGCD-ZDUSSCGKSA-N 1 2 334.376 0.324 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NC(=O)NCc2ccco2)C1=O ZINC000281282788 436959950 /nfs/dbraw/zinc/95/99/50/436959950.db2.gz IUNFUUFNCMJGCD-ZDUSSCGKSA-N 1 2 334.376 0.324 20 30 ECEDLO C=CCN(C)C(=O)C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000298170803 437031579 /nfs/dbraw/zinc/03/15/79/437031579.db2.gz TZAWIWAWEDIHAF-UHFFFAOYSA-N 1 2 341.415 0.623 20 30 ECEDLO C=CCCCNC(=O)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000283836410 437032210 /nfs/dbraw/zinc/03/22/10/437032210.db2.gz FUERAILKZLVBJH-UHFFFAOYSA-N 1 2 332.404 0.617 20 30 ECEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(Cc2nc(COC)no2)CC1 ZINC000275627650 436993089 /nfs/dbraw/zinc/99/30/89/436993089.db2.gz UYPYBSDVRLBETA-UHFFFAOYSA-N 1 2 349.435 0.534 20 30 ECEDLO CN(C)C(=O)O[C@H]1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000296593996 436994929 /nfs/dbraw/zinc/99/49/29/436994929.db2.gz FSEBEXSATSKOGM-HNNXBMFYSA-N 1 2 330.388 0.947 20 30 ECEDLO CN(C)C(=O)O[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000296593996 436994930 /nfs/dbraw/zinc/99/49/30/436994930.db2.gz FSEBEXSATSKOGM-HNNXBMFYSA-N 1 2 330.388 0.947 20 30 ECEDLO C=CCCO[C@H](C)C(=O)N(CC[NH+]1CCOCC1)CC(=O)OC ZINC000264589514 437051222 /nfs/dbraw/zinc/05/12/22/437051222.db2.gz AKWWHMHABPVZFV-CQSZACIVSA-N 1 2 328.409 0.301 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000284518656 437054966 /nfs/dbraw/zinc/05/49/66/437054966.db2.gz JYUHXKWXCYWQTI-HOCLYGCPSA-N 1 2 346.431 0.861 20 30 ECEDLO CCNC(=O)c1cccc(NC(=O)CO[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000284489483 437055621 /nfs/dbraw/zinc/05/56/21/437055621.db2.gz SGKVWDXUWMBYRI-ZDUSSCGKSA-N 1 2 334.376 0.843 20 30 ECEDLO N#CCc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000174010664 437072387 /nfs/dbraw/zinc/07/23/87/437072387.db2.gz DOPREKFQNFECSU-INIZCTEOSA-N 1 2 342.399 0.624 20 30 ECEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC000285340680 437077601 /nfs/dbraw/zinc/07/76/01/437077601.db2.gz SSBLREMKPWTDTC-GJZGRUSLSA-N 1 2 346.362 0.567 20 30 ECEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)C[C@@H]21 ZINC000285340680 437077605 /nfs/dbraw/zinc/07/76/05/437077605.db2.gz SSBLREMKPWTDTC-GJZGRUSLSA-N 1 2 346.362 0.567 20 30 ECEDLO C=CCSCCNC(=O)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000285526096 437079588 /nfs/dbraw/zinc/07/95/88/437079588.db2.gz AOOSBEYNHPHBRV-CYBMUJFWSA-N 1 2 329.466 0.201 20 30 ECEDLO C#CCN(C(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)C1CC1 ZINC000276294399 437084969 /nfs/dbraw/zinc/08/49/69/437084969.db2.gz UYUKYAIMIUGXOX-UHFFFAOYSA-N 1 2 342.399 0.789 20 30 ECEDLO C[NH+](C)C1(C#N)CCN(C(=O)C(=O)N[C@H]2CCCc3c[nH]nc32)CC1 ZINC000331707844 437147592 /nfs/dbraw/zinc/14/75/92/437147592.db2.gz AUWKQZFPRJFWHE-ZDUSSCGKSA-N 1 2 344.419 0.350 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1)C1CC1 ZINC000331783570 437159771 /nfs/dbraw/zinc/15/97/71/437159771.db2.gz BCNFERMAIIIDPS-WFASDCNBSA-N 1 2 342.465 0.056 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1)C1CC1 ZINC000331783570 437159776 /nfs/dbraw/zinc/15/97/76/437159776.db2.gz BCNFERMAIIIDPS-WFASDCNBSA-N 1 2 342.465 0.056 20 30 ECEDLO C#CC[N@@H+](C)CC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC000277001178 437183222 /nfs/dbraw/zinc/18/32/22/437183222.db2.gz OJICSZFPPUJMID-KRWDZBQOSA-N 1 2 344.371 0.058 20 30 ECEDLO C#CC[N@H+](C)CC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC000277001178 437183226 /nfs/dbraw/zinc/18/32/26/437183226.db2.gz OJICSZFPPUJMID-KRWDZBQOSA-N 1 2 344.371 0.058 20 30 ECEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)Cn1cnc(C#N)n1)C2 ZINC000332205829 437209848 /nfs/dbraw/zinc/20/98/48/437209848.db2.gz WSPOIBPMYFVIAW-LLVKDONJSA-N 1 2 327.392 0.775 20 30 ECEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC000332302094 437212475 /nfs/dbraw/zinc/21/24/75/437212475.db2.gz QCUPUPDQPZLQHQ-KRWDZBQOSA-N 1 2 348.472 0.904 20 30 ECEDLO C[NH+](C)C1(C#N)CCN(C(=O)C(=O)Nc2cc3n(n2)CCCC3)CC1 ZINC000332370854 437215254 /nfs/dbraw/zinc/21/52/54/437215254.db2.gz SHOBRDUSRUXRBY-UHFFFAOYSA-N 1 2 344.419 0.604 20 30 ECEDLO Cn1cc[nH+]c1CNC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000328619263 437242045 /nfs/dbraw/zinc/24/20/45/437242045.db2.gz VUXMKICANSUGDX-VXGBXAGGSA-N 1 2 326.422 0.876 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1)C1CC1 ZINC000332753001 437247793 /nfs/dbraw/zinc/24/77/93/437247793.db2.gz GEHYTJRXCOGTIG-QAPCUYQASA-N 1 2 348.447 0.508 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC1)C1CC1 ZINC000332753001 437247794 /nfs/dbraw/zinc/24/77/94/437247794.db2.gz GEHYTJRXCOGTIG-QAPCUYQASA-N 1 2 348.447 0.508 20 30 ECEDLO C[C@@H]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C[C@H]1n1cc[nH+]c1 ZINC000336912232 437309321 /nfs/dbraw/zinc/30/93/21/437309321.db2.gz YRURNLYIYIQJHF-MGPQQGTHSA-N 1 2 339.421 0.235 20 30 ECEDLO C=C(C)C[N@@H+](C)CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000181294150 437315425 /nfs/dbraw/zinc/31/54/25/437315425.db2.gz KRSONDZCGDHDMD-CABCVRRESA-N 1 2 344.477 0.689 20 30 ECEDLO C=C(C)C[N@H+](C)CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000181294150 437315427 /nfs/dbraw/zinc/31/54/27/437315427.db2.gz KRSONDZCGDHDMD-CABCVRRESA-N 1 2 344.477 0.689 20 30 ECEDLO C[C@]1(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCOC1 ZINC000329091327 437316413 /nfs/dbraw/zinc/31/64/13/437316413.db2.gz ACASJLJPKSVNAW-PBHICJAKSA-N 1 2 339.436 0.693 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000336948278 437316934 /nfs/dbraw/zinc/31/69/34/437316934.db2.gz QGYUVTMWRIZYSH-GJZGRUSLSA-N 1 2 345.513 0.328 20 30 ECEDLO CC(=O)N1CC[NH+](CCNC(=O)c2cnc3c(c2)NC(=O)CO3)CC1 ZINC000329110223 437318891 /nfs/dbraw/zinc/31/88/91/437318891.db2.gz JHMRZVXUCYBSII-UHFFFAOYSA-N 1 2 347.375 0.531 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278533556 437321183 /nfs/dbraw/zinc/32/11/83/437321183.db2.gz UJXVASSQBOJFEH-UHFFFAOYSA-N 1 2 342.359 0.343 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)C[C@H]21 ZINC000328892289 437279780 /nfs/dbraw/zinc/27/97/80/437279780.db2.gz TUPPPTWOVDVLDW-UMSGYPCISA-N 1 2 326.397 0.388 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)C[C@H]21 ZINC000328892289 437279785 /nfs/dbraw/zinc/27/97/85/437279785.db2.gz TUPPPTWOVDVLDW-UMSGYPCISA-N 1 2 326.397 0.388 20 30 ECEDLO C=CCNC(=O)CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000180254228 437283866 /nfs/dbraw/zinc/28/38/66/437283866.db2.gz GUWVQVVZWOKSLZ-INIZCTEOSA-N 1 2 346.431 0.661 20 30 ECEDLO Cc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[C@@H]3OCC[N@@H+](C)[C@H]3C1)CC2 ZINC000329136807 437322287 /nfs/dbraw/zinc/32/22/87/437322287.db2.gz RDAQADIKOBKXDE-RDBSUJKOSA-N 1 2 334.424 0.220 20 30 ECEDLO Cc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[C@@H]3OCC[N@H+](C)[C@H]3C1)CC2 ZINC000329136807 437322292 /nfs/dbraw/zinc/32/22/92/437322292.db2.gz RDAQADIKOBKXDE-RDBSUJKOSA-N 1 2 334.424 0.220 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000329281573 437345532 /nfs/dbraw/zinc/34/55/32/437345532.db2.gz MPVNXROAZIOWLJ-KBPBESRZSA-N 1 2 343.468 0.871 20 30 ECEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000329278478 437346654 /nfs/dbraw/zinc/34/66/54/437346654.db2.gz LFHWVVGHBOCMPD-LBPRGKRZSA-N 1 2 329.466 0.689 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000278859041 437350415 /nfs/dbraw/zinc/35/04/15/437350415.db2.gz ABKNFQFIRPWHDX-LBPRGKRZSA-N 1 2 348.378 0.815 20 30 ECEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cc(-n4cnnn4)ccc3F)C[C@H]21 ZINC000329367791 437357422 /nfs/dbraw/zinc/35/74/22/437357422.db2.gz JAMDMMCETTYHGK-KGLIPLIRSA-N 1 2 347.354 0.362 20 30 ECEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cc(-n4cnnn4)ccc3F)C[C@H]21 ZINC000329367791 437357427 /nfs/dbraw/zinc/35/74/27/437357427.db2.gz JAMDMMCETTYHGK-KGLIPLIRSA-N 1 2 347.354 0.362 20 30 ECEDLO CN(C(=O)CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)C1CCCCC1 ZINC000329441526 437369546 /nfs/dbraw/zinc/36/95/46/437369546.db2.gz NBCQBHKRHBXTER-CQSZACIVSA-N 1 2 326.441 0.612 20 30 ECEDLO CN(C(=O)CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)C1CCCCC1 ZINC000329441526 437369550 /nfs/dbraw/zinc/36/95/50/437369550.db2.gz NBCQBHKRHBXTER-CQSZACIVSA-N 1 2 326.441 0.612 20 30 ECEDLO CCN(C(=O)NCC[NH+]1CCSCC1)[C@H]1CCS(=O)(=O)C1 ZINC000329140483 437324441 /nfs/dbraw/zinc/32/44/41/437324441.db2.gz FVVSRNLKKTWGRK-LBPRGKRZSA-N 1 2 335.495 0.458 20 30 ECEDLO C[C@@H]1C(=O)NCCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000329171628 437329891 /nfs/dbraw/zinc/32/98/91/437329891.db2.gz KQJUXANAWSCLKJ-CYBMUJFWSA-N 1 2 347.423 0.173 20 30 ECEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@H](C(=O)NC)[C@@H](c2cnn(C)c2)C1 ZINC000329190176 437331914 /nfs/dbraw/zinc/33/19/14/437331914.db2.gz PZUOGNCZROIOTD-QLFBSQMISA-N 1 2 349.435 0.269 20 30 ECEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@H](C(=O)NC)[C@@H](c2cnn(C)c2)C1 ZINC000329190176 437331918 /nfs/dbraw/zinc/33/19/18/437331918.db2.gz PZUOGNCZROIOTD-QLFBSQMISA-N 1 2 349.435 0.269 20 30 ECEDLO C[C@H](CNC(=O)N1CC[C@@H](C(=O)N2CCCC2)C1)[NH+]1CCOCC1 ZINC000329217040 437335335 /nfs/dbraw/zinc/33/53/35/437335335.db2.gz PMDSOQWDLLHOBT-HUUCEWRRSA-N 1 2 338.452 0.565 20 30 ECEDLO CN(C)c1nccc([C@H]2CN(C(=O)NCc3[nH+]ccn3C)CCO2)n1 ZINC000329713934 437403976 /nfs/dbraw/zinc/40/39/76/437403976.db2.gz SFIXFNZXPKALBE-CYBMUJFWSA-N 1 2 345.407 0.764 20 30 ECEDLO Cn1nncc1CON=C(N)C[NH+]1CCN(c2ccccc2)CC1 ZINC000289392262 437406403 /nfs/dbraw/zinc/40/64/03/437406403.db2.gz MRYQXLFVVZPFDK-UHFFFAOYSA-N 1 2 329.408 0.426 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@](F)(CO)C2)CC1 ZINC000338592949 437413763 /nfs/dbraw/zinc/41/37/63/437413763.db2.gz HRJHRMXPPPCODW-ZBFHGGJFSA-N 1 2 326.416 0.085 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@](F)(CO)C2)CC1 ZINC000338592949 437413769 /nfs/dbraw/zinc/41/37/69/437413769.db2.gz HRJHRMXPPPCODW-ZBFHGGJFSA-N 1 2 326.416 0.085 20 30 ECEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@H]1CCCS(=O)(=O)C1 ZINC000329799890 437414493 /nfs/dbraw/zinc/41/44/93/437414493.db2.gz YAVACPQSTUOEOG-NSHDSACASA-N 1 2 326.422 0.800 20 30 ECEDLO C=C(C)Cn1c(C2CC2)nnc1N1CC[NH+](CC(=O)NCC)CC1 ZINC000338812145 437420616 /nfs/dbraw/zinc/42/06/16/437420616.db2.gz SNOWWHIQKHWDNA-UHFFFAOYSA-N 1 2 332.452 0.990 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ocnc2C2CC2)CC1 ZINC000289614611 437429324 /nfs/dbraw/zinc/42/93/24/437429324.db2.gz VZYMFGOKJNSXIR-UHFFFAOYSA-N 1 2 330.388 0.449 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ocnc2C2CC2)CC1 ZINC000289614611 437429328 /nfs/dbraw/zinc/42/93/28/437429328.db2.gz VZYMFGOKJNSXIR-UHFFFAOYSA-N 1 2 330.388 0.449 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000329522926 437380238 /nfs/dbraw/zinc/38/02/38/437380238.db2.gz PQKQEJOTJRYERI-OCCSQVGLSA-N 1 2 339.440 0.361 20 30 ECEDLO Cc1nc(N2CCN(C(=O)NCCc3cnccn3)CC2)cc[nH+]1 ZINC000329557359 437384186 /nfs/dbraw/zinc/38/41/86/437384186.db2.gz HRFQMHKKZWRSNT-UHFFFAOYSA-N 1 2 327.392 0.854 20 30 ECEDLO Cn1nnc2cc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)cnc21 ZINC000183520187 437386009 /nfs/dbraw/zinc/38/60/09/437386009.db2.gz OEUGNNONPLRMPK-UHFFFAOYSA-N 1 2 343.391 0.051 20 30 ECEDLO C[C@@H](C(=O)N1CCN(c2ccccc2C#N)CC1)[NH+]1CCOCC1 ZINC000338106314 437387758 /nfs/dbraw/zinc/38/77/58/437387758.db2.gz KMVUMLXBHIJSMN-HNNXBMFYSA-N 1 2 328.416 0.928 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCCc3cn4c(n3)SCC4)C[C@@H]21 ZINC000329624487 437393399 /nfs/dbraw/zinc/39/33/99/437393399.db2.gz SLEDRMSUVWTOAQ-QWHCGFSZSA-N 1 2 337.449 0.460 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCCc3cn4c(n3)SCC4)C[C@@H]21 ZINC000329624487 437393404 /nfs/dbraw/zinc/39/34/04/437393404.db2.gz SLEDRMSUVWTOAQ-QWHCGFSZSA-N 1 2 337.449 0.460 20 30 ECEDLO N#C[C@H]1C[N@@H+](CCCS(N)(=O)=O)C[C@@]12c1ccccc1NC2=O ZINC000338248107 437400874 /nfs/dbraw/zinc/40/08/74/437400874.db2.gz CJYXYIDXXHHKOI-NHYWBVRUSA-N 1 2 334.401 0.010 20 30 ECEDLO N#C[C@H]1C[N@H+](CCCS(N)(=O)=O)C[C@@]12c1ccccc1NC2=O ZINC000338248107 437400877 /nfs/dbraw/zinc/40/08/77/437400877.db2.gz CJYXYIDXXHHKOI-NHYWBVRUSA-N 1 2 334.401 0.010 20 30 ECEDLO O=C(NC1CC(F)(F)C1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000330279128 437478921 /nfs/dbraw/zinc/47/89/21/437478921.db2.gz QOEBUSKONXYKBS-NSHDSACASA-N 1 2 331.363 0.921 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000290378432 437481154 /nfs/dbraw/zinc/48/11/54/437481154.db2.gz BZCBJMNDZICERU-LPHOPBHVSA-N 1 2 348.443 0.898 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(S(C)(=O)=O)nc3)C[C@H]21 ZINC000329936871 437434130 /nfs/dbraw/zinc/43/41/30/437434130.db2.gz LFGFOIDOWHLWIZ-VXGBXAGGSA-N 1 2 340.405 0.045 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(S(C)(=O)=O)nc3)C[C@H]21 ZINC000329936871 437434134 /nfs/dbraw/zinc/43/41/34/437434134.db2.gz LFGFOIDOWHLWIZ-VXGBXAGGSA-N 1 2 340.405 0.045 20 30 ECEDLO C#CCN(CC)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000268756598 437435262 /nfs/dbraw/zinc/43/52/62/437435262.db2.gz FLOJBHSPRAZIJC-UHFFFAOYSA-N 1 2 328.416 0.992 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCCC(=O)N3CCCCCC3)C[C@H]21 ZINC000329957682 437438143 /nfs/dbraw/zinc/43/81/43/437438143.db2.gz QGJBFGSOVMWCDN-HUUCEWRRSA-N 1 2 338.452 0.708 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCCC(=O)N3CCCCCC3)C[C@H]21 ZINC000329957682 437438148 /nfs/dbraw/zinc/43/81/48/437438148.db2.gz QGJBFGSOVMWCDN-HUUCEWRRSA-N 1 2 338.452 0.708 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(-n4cccn4)nc3)C[C@H]21 ZINC000329972010 437440385 /nfs/dbraw/zinc/44/03/85/437440385.db2.gz VWQJCJWJVYFOEQ-ZIAGYGMSSA-N 1 2 328.376 0.828 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(-n4cccn4)nc3)C[C@H]21 ZINC000329972010 437440387 /nfs/dbraw/zinc/44/03/87/437440387.db2.gz VWQJCJWJVYFOEQ-ZIAGYGMSSA-N 1 2 328.376 0.828 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NC3CCN(C(=O)C4CC4)CC3)C[C@H]21 ZINC000329980911 437442042 /nfs/dbraw/zinc/44/20/42/437442042.db2.gz MGKHDGQFCCANPH-HUUCEWRRSA-N 1 2 336.436 0.316 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NC3CCN(C(=O)C4CC4)CC3)C[C@H]21 ZINC000329980911 437442045 /nfs/dbraw/zinc/44/20/45/437442045.db2.gz MGKHDGQFCCANPH-HUUCEWRRSA-N 1 2 336.436 0.316 20 30 ECEDLO CC(C)C[C@H](CNC(=O)N[C@@H]1CC[S@](=O)C1)[NH+]1CCOCC1 ZINC000329998204 437442983 /nfs/dbraw/zinc/44/29/83/437442983.db2.gz RXAYRIFNJKPHFS-SOHPYSCWSA-N 1 2 331.482 0.758 20 30 ECEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)CNC(=O)c3cccnc3)C2)CC1 ZINC000330172024 437463481 /nfs/dbraw/zinc/46/34/81/437463481.db2.gz XRWUKBMDMUCUKV-MRXNPFEDSA-N 1 2 345.447 0.625 20 30 ECEDLO CS(=O)(=O)N1CCC[C@@H]1CNC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330192310 437465481 /nfs/dbraw/zinc/46/54/81/437465481.db2.gz NRIQZJKDWDDYDM-VXGBXAGGSA-N 1 2 341.437 0.126 20 30 ECEDLO CS(=O)(=O)N1CCC[C@@H]1C[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330192310 437465483 /nfs/dbraw/zinc/46/54/83/437465483.db2.gz NRIQZJKDWDDYDM-VXGBXAGGSA-N 1 2 341.437 0.126 20 30 ECEDLO COCCNC(=O)CN1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186297203 437468216 /nfs/dbraw/zinc/46/82/16/437468216.db2.gz FFCQHQVGBPEULS-HNNXBMFYSA-N 1 2 330.432 0.999 20 30 ECEDLO Cc1ncc(C[NH+]2CCN(C(=O)NCc3nnn(C)n3)CC2)s1 ZINC000330213970 437469012 /nfs/dbraw/zinc/46/90/12/437469012.db2.gz FTTUPTKAFXBBDP-UHFFFAOYSA-N 1 2 336.425 0.207 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000330373819 437493552 /nfs/dbraw/zinc/49/35/52/437493552.db2.gz LQUQIATZLCEFBI-UONOGXRCSA-N 1 2 337.449 0.976 20 30 ECEDLO CCS(=O)(=O)NC1CCN(C([O-])=[NH+][C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000330387699 437498495 /nfs/dbraw/zinc/49/84/95/437498495.db2.gz CDORCIAFWVZOES-LBPRGKRZSA-N 1 2 343.453 0.589 20 30 ECEDLO CCS(=O)(=O)NC1CCN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000330387699 437498498 /nfs/dbraw/zinc/49/84/98/437498498.db2.gz CDORCIAFWVZOES-LBPRGKRZSA-N 1 2 343.453 0.589 20 30 ECEDLO CC#CC[N@H+](C)CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C ZINC000339763473 437503562 /nfs/dbraw/zinc/50/35/62/437503562.db2.gz NCMXTDQMGSAUPZ-GFCCVEGCSA-N 1 2 335.429 0.567 20 30 ECEDLO CC#CC[N@@H+](C)CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C ZINC000339763473 437503567 /nfs/dbraw/zinc/50/35/67/437503567.db2.gz NCMXTDQMGSAUPZ-GFCCVEGCSA-N 1 2 335.429 0.567 20 30 ECEDLO CC1(C)C[N@H+](CCNC(=O)N2CCC[C@@H](CNC(N)=O)C2)CCO1 ZINC000330447502 437515930 /nfs/dbraw/zinc/51/59/30/437515930.db2.gz RQYLJQREKJYJTK-ZDUSSCGKSA-N 1 2 341.456 0.806 20 30 ECEDLO CC1(C)C[N@@H+](CCNC(=O)N2CCC[C@@H](CNC(N)=O)C2)CCO1 ZINC000330447502 437515933 /nfs/dbraw/zinc/51/59/33/437515933.db2.gz RQYLJQREKJYJTK-ZDUSSCGKSA-N 1 2 341.456 0.806 20 30 ECEDLO CCNC(=O)NC(=O)C[NH2+][C@@H](c1nc(C)no1)C1CCOCC1 ZINC000330550420 437549043 /nfs/dbraw/zinc/54/90/43/437549043.db2.gz DVJCFMROWNBLQN-GFCCVEGCSA-N 1 2 325.369 0.485 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000330551233 437549522 /nfs/dbraw/zinc/54/95/22/437549522.db2.gz FBCVAVDSGDQVBO-BFHYXJOUSA-N 1 2 325.409 0.455 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000330551233 437549526 /nfs/dbraw/zinc/54/95/26/437549526.db2.gz FBCVAVDSGDQVBO-BFHYXJOUSA-N 1 2 325.409 0.455 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1c[nH+]cn1C ZINC000291262993 437575239 /nfs/dbraw/zinc/57/52/39/437575239.db2.gz PPKRSEJJFWDVRM-LLVKDONJSA-N 1 2 347.400 0.275 20 30 ECEDLO CC(C)NC(=O)NC(=O)[C@@H](C)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000330660546 437581183 /nfs/dbraw/zinc/58/11/83/437581183.db2.gz QOTXCABSPFJUPR-CYBMUJFWSA-N 1 2 336.440 0.365 20 30 ECEDLO CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCN(Cc2cnn(C)c2)CC1 ZINC000330660546 437581185 /nfs/dbraw/zinc/58/11/85/437581185.db2.gz QOTXCABSPFJUPR-CYBMUJFWSA-N 1 2 336.440 0.365 20 30 ECEDLO Cc1oc(S(N)(=O)=O)cc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330677836 437587916 /nfs/dbraw/zinc/58/79/16/437587916.db2.gz VTYHTUOAWYJJDQ-VIFPVBQESA-N 1 2 331.394 0.261 20 30 ECEDLO Cc1oc(S(N)(=O)=O)cc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330677836 437587921 /nfs/dbraw/zinc/58/79/21/437587921.db2.gz VTYHTUOAWYJJDQ-VIFPVBQESA-N 1 2 331.394 0.261 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2CCO[C@H](CC)C2)CC1 ZINC000360679965 437633540 /nfs/dbraw/zinc/63/35/40/437633540.db2.gz JBSBFUSDJYJBBJ-IAGOWNOFSA-N 1 2 349.475 0.865 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2CCO[C@H](CC)C2)CC1 ZINC000360679965 437633547 /nfs/dbraw/zinc/63/35/47/437633547.db2.gz JBSBFUSDJYJBBJ-IAGOWNOFSA-N 1 2 349.475 0.865 20 30 ECEDLO C=C[C@@H](CO)NC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000354665022 437645287 /nfs/dbraw/zinc/64/52/87/437645287.db2.gz DOZUFUAXZNWEDY-HIFRSBDPSA-N 1 2 347.415 0.681 20 30 ECEDLO C[C@H](CO)[C@H](C)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330901911 437646059 /nfs/dbraw/zinc/64/60/59/437646059.db2.gz XDQWDFVIEXDNBG-OLZOCXBDSA-N 1 2 349.435 0.812 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1c[nH+]c[nH]1 ZINC000360922201 437651876 /nfs/dbraw/zinc/65/18/76/437651876.db2.gz MLOCKVWWKXEGQN-SNVBAGLBSA-N 1 2 333.373 0.265 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1c[nH]c[nH+]1 ZINC000360922201 437651879 /nfs/dbraw/zinc/65/18/79/437651879.db2.gz MLOCKVWWKXEGQN-SNVBAGLBSA-N 1 2 333.373 0.265 20 30 ECEDLO C[C@@H](CNC(=O)Nc1cc(OC(F)F)n(C)n1)[NH+]1CCOCC1 ZINC000331174630 437706367 /nfs/dbraw/zinc/70/63/67/437706367.db2.gz JJNUPUSDUIDVGX-VIFPVBQESA-N 1 2 333.339 1.068 20 30 ECEDLO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000331214573 437719148 /nfs/dbraw/zinc/71/91/48/437719148.db2.gz BPQPSDPTAJBVQQ-NSHDSACASA-N 1 2 329.447 0.697 20 30 ECEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000340728742 437719933 /nfs/dbraw/zinc/71/99/33/437719933.db2.gz NLOFUGOIWLAJLS-NSHDSACASA-N 1 2 341.371 0.559 20 30 ECEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000331189382 437711194 /nfs/dbraw/zinc/71/11/94/437711194.db2.gz VECXZRHSVWAAMJ-JSGCOSHPSA-N 1 2 330.454 0.054 20 30 ECEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000331189382 437711197 /nfs/dbraw/zinc/71/11/97/437711197.db2.gz VECXZRHSVWAAMJ-JSGCOSHPSA-N 1 2 330.454 0.054 20 30 ECEDLO C[C@H](NC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1)[C@H]1CCCO1 ZINC000331252936 437727551 /nfs/dbraw/zinc/72/75/51/437727551.db2.gz UYYGKRQHOUOKTL-YNEHKIRRSA-N 1 2 328.413 0.636 20 30 ECEDLO C[C@H](NC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1)[C@H]1CCCO1 ZINC000331252936 437727553 /nfs/dbraw/zinc/72/75/53/437727553.db2.gz UYYGKRQHOUOKTL-YNEHKIRRSA-N 1 2 328.413 0.636 20 30 ECEDLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000344476903 437757020 /nfs/dbraw/zinc/75/70/20/437757020.db2.gz NXGQEGDYTPCFBI-NSHDSACASA-N 1 2 341.389 0.409 20 30 ECEDLO C=CCNC(=O)CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000346854455 437820676 /nfs/dbraw/zinc/82/06/76/437820676.db2.gz PTMFOFMVXBVXBW-UHFFFAOYSA-N 1 2 341.415 0.688 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000341187938 437810125 /nfs/dbraw/zinc/81/01/25/437810125.db2.gz OKIXCYREDRFEAO-WFASDCNBSA-N 1 2 344.481 0.430 20 30 ECEDLO C=CC[C@@H](CO)NC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000346431936 437811229 /nfs/dbraw/zinc/81/12/29/437811229.db2.gz OPXGHYBQZNEBPU-STQMWFEESA-N 1 2 335.408 0.147 20 30 ECEDLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NS(=O)(=O)[C@@H](C)C#N ZINC000416397317 437926381 /nfs/dbraw/zinc/92/63/81/437926381.db2.gz IYGVBNJCUDREBF-KGLIPLIRSA-N 1 2 337.449 0.424 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2nc(C)c(C)s2)CC1 ZINC000365630463 437945103 /nfs/dbraw/zinc/94/51/03/437945103.db2.gz OPJXLLWRXGZOJX-UHFFFAOYSA-N 1 2 334.445 0.657 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2nc(C)c(C)s2)CC1 ZINC000365630463 437945107 /nfs/dbraw/zinc/94/51/07/437945107.db2.gz OPJXLLWRXGZOJX-UHFFFAOYSA-N 1 2 334.445 0.657 20 30 ECEDLO O=C(NCC#Cc1ccccc1)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424559917 437975700 /nfs/dbraw/zinc/97/57/00/437975700.db2.gz XMMVCLUOGSIOIX-CQSZACIVSA-N 1 2 335.354 0.515 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)[C@@H](C)C[N@@H+]1CCO ZINC000416664324 437983012 /nfs/dbraw/zinc/98/30/12/437983012.db2.gz MWNSAGGISPAWOJ-KGLIPLIRSA-N 1 2 337.445 0.775 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)[C@@H](C)C[N@H+]1CCO ZINC000416664324 437983016 /nfs/dbraw/zinc/98/30/16/437983016.db2.gz MWNSAGGISPAWOJ-KGLIPLIRSA-N 1 2 337.445 0.775 20 30 ECEDLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1cccc(C#N)c1 ZINC000416664322 437984494 /nfs/dbraw/zinc/98/44/94/437984494.db2.gz MWNSAGGISPAWOJ-KBPBESRZSA-N 1 2 337.445 0.775 20 30 ECEDLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1cccc(C#N)c1 ZINC000416664322 437984495 /nfs/dbraw/zinc/98/44/95/437984495.db2.gz MWNSAGGISPAWOJ-KBPBESRZSA-N 1 2 337.445 0.775 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2)[C@@H](C)C[N@@H+]1CCO ZINC000416668766 437987267 /nfs/dbraw/zinc/98/72/67/437987267.db2.gz RCWYSABPGKKZEU-KGLIPLIRSA-N 1 2 337.445 0.775 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2)[C@@H](C)C[N@H+]1CCO ZINC000416668766 437987270 /nfs/dbraw/zinc/98/72/70/437987270.db2.gz RCWYSABPGKKZEU-KGLIPLIRSA-N 1 2 337.445 0.775 20 30 ECEDLO C=CCOc1cccnc1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000342369685 438012298 /nfs/dbraw/zinc/01/22/98/438012298.db2.gz GWZIRKSDUFOSBT-CQSZACIVSA-N 1 2 335.404 0.412 20 30 ECEDLO CNC(=O)C[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000342470001 438016570 /nfs/dbraw/zinc/01/65/70/438016570.db2.gz IBHJHKMYKZXDFB-ZDUSSCGKSA-N 1 2 349.460 0.135 20 30 ECEDLO CNC(=O)C[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000342470001 438016573 /nfs/dbraw/zinc/01/65/73/438016573.db2.gz IBHJHKMYKZXDFB-ZDUSSCGKSA-N 1 2 349.460 0.135 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000425909428 438050052 /nfs/dbraw/zinc/05/00/52/438050052.db2.gz OTOIOEMEOQDCBT-GJZGRUSLSA-N 1 2 344.415 0.438 20 30 ECEDLO CCN1CCN(CC(=O)N(CCC#N)CCC#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000348366236 438055236 /nfs/dbraw/zinc/05/52/36/438055236.db2.gz IDIPYRAIALOEMO-HNNXBMFYSA-N 1 2 343.435 0.744 20 30 ECEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)c(C#N)c1C ZINC000366435466 438071942 /nfs/dbraw/zinc/07/19/42/438071942.db2.gz LMQCWCDQZFWQKG-UFGOTCBOSA-N 1 2 344.371 0.690 20 30 ECEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)c(C#N)c1C ZINC000366435466 438071948 /nfs/dbraw/zinc/07/19/48/438071948.db2.gz LMQCWCDQZFWQKG-UFGOTCBOSA-N 1 2 344.371 0.690 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2nc(C)cs2)CC1 ZINC000373058986 438127261 /nfs/dbraw/zinc/12/72/61/438127261.db2.gz QTRILTUXTSGHKT-UHFFFAOYSA-N 1 2 348.472 0.668 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2nc(C)cs2)CC1 ZINC000373058986 438127264 /nfs/dbraw/zinc/12/72/64/438127264.db2.gz QTRILTUXTSGHKT-UHFFFAOYSA-N 1 2 348.472 0.668 20 30 ECEDLO Cc1cc(NC(=O)C(=O)NCCNc2cccc[nH+]2)nn1CCC#N ZINC000349048442 438128987 /nfs/dbraw/zinc/12/89/87/438128987.db2.gz VWZIWVPGHNFFKD-UHFFFAOYSA-N 1 2 341.375 0.667 20 30 ECEDLO O=C1OCC[C@@]12CCCN2CC#CC[N@@H+]1CCC[C@@]12CCOC2=O ZINC000367464746 438212051 /nfs/dbraw/zinc/21/20/51/438212051.db2.gz VKSBWSYNLYWJEZ-ROUUACIJSA-N 1 2 332.400 0.553 20 30 ECEDLO O=C1OCC[C@@]12CCCN2CC#CC[N@H+]1CCC[C@@]12CCOC2=O ZINC000367464746 438212053 /nfs/dbraw/zinc/21/20/53/438212053.db2.gz VKSBWSYNLYWJEZ-ROUUACIJSA-N 1 2 332.400 0.553 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000350661503 438226463 /nfs/dbraw/zinc/22/64/63/438226463.db2.gz QRMLVSLWYWKZMN-CABCVRRESA-N 1 2 336.480 0.742 20 30 ECEDLO C=CCNC(=O)[C@@H](C)N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000350661503 438226469 /nfs/dbraw/zinc/22/64/69/438226469.db2.gz QRMLVSLWYWKZMN-CABCVRRESA-N 1 2 336.480 0.742 20 30 ECEDLO C=CCNc1ncc(C(=O)N2CC[NH+](CCn3cncn3)CC2)s1 ZINC000433212984 438232570 /nfs/dbraw/zinc/23/25/70/438232570.db2.gz NESDNRDPAHXVJJ-UHFFFAOYSA-N 1 2 347.448 0.791 20 30 ECEDLO C=CCC[C@H](O)C[NH+]1CCC(C(=O)OCC)(S(C)(=O)=O)CC1 ZINC000367712626 438239821 /nfs/dbraw/zinc/23/98/21/438239821.db2.gz LRDRSNHJEWSJMA-ZDUSSCGKSA-N 1 2 333.450 0.756 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000375660751 438260787 /nfs/dbraw/zinc/26/07/87/438260787.db2.gz QMKWVPCNYOGDFC-ZDUSSCGKSA-N 1 2 330.454 0.104 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000375660751 438260791 /nfs/dbraw/zinc/26/07/91/438260791.db2.gz QMKWVPCNYOGDFC-ZDUSSCGKSA-N 1 2 330.454 0.104 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000377956702 438333531 /nfs/dbraw/zinc/33/35/31/438333531.db2.gz YYUGBADAXPXDGR-HRCADAONSA-N 1 2 337.420 0.112 20 30 ECEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000359054537 438350468 /nfs/dbraw/zinc/35/04/68/438350468.db2.gz CYECZHLGYDQXLU-LLVKDONJSA-N 1 2 343.391 0.850 20 30 ECEDLO C[N@@H+]1CCN(C2CCN(C(=O)C3(C#N)CCOCC3)CC2)C(=O)C1 ZINC000378570875 438402794 /nfs/dbraw/zinc/40/27/94/438402794.db2.gz LNPSNXZSOIDERT-UHFFFAOYSA-N 1 2 334.420 0.072 20 30 ECEDLO C[N@H+]1CCN(C2CCN(C(=O)C3(C#N)CCOCC3)CC2)C(=O)C1 ZINC000378570875 438402798 /nfs/dbraw/zinc/40/27/98/438402798.db2.gz LNPSNXZSOIDERT-UHFFFAOYSA-N 1 2 334.420 0.072 20 30 ECEDLO C=C(C)C[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)Cc1ccc(CO)o1 ZINC000352812893 438478249 /nfs/dbraw/zinc/47/82/49/438478249.db2.gz ALYIHIQIHSWBPS-ZDUSSCGKSA-N 1 2 337.420 0.743 20 30 ECEDLO C=C(C)C[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)Cc1ccc(CO)o1 ZINC000352812893 438478253 /nfs/dbraw/zinc/47/82/53/438478253.db2.gz ALYIHIQIHSWBPS-ZDUSSCGKSA-N 1 2 337.420 0.743 20 30 ECEDLO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)c1ccc(C#N)cc1C ZINC000438991957 438492544 /nfs/dbraw/zinc/49/25/44/438492544.db2.gz FIKQQGSCROEWJV-UHFFFAOYSA-N 1 2 345.399 0.814 20 30 ECEDLO Cc1cc(NC(=O)[C@@H]2C[N@H+](C)CCO2)nn1-c1cccc(C#N)c1 ZINC000369974593 438535056 /nfs/dbraw/zinc/53/50/56/438535056.db2.gz POGLPMQTOFVPNC-HNNXBMFYSA-N 1 2 325.372 1.322 20 30 ECEDLO Cc1cc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)nn1-c1cccc(C#N)c1 ZINC000369974593 438535061 /nfs/dbraw/zinc/53/50/61/438535061.db2.gz POGLPMQTOFVPNC-HNNXBMFYSA-N 1 2 325.372 1.322 20 30 ECEDLO Cc1nn(C)c(N2CCN(C(=O)/C=C/c3[nH]cc[nH+]3)CC2)c1C#N ZINC000493855232 438654358 /nfs/dbraw/zinc/65/43/58/438654358.db2.gz MZWVBJARRRBWFD-ONEGZZNKSA-N 1 2 325.376 0.685 20 30 ECEDLO C=CC[C@H](C)NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000446778893 438671773 /nfs/dbraw/zinc/67/17/73/438671773.db2.gz YXQQTTVWWGSBGN-ZDUSSCGKSA-N 1 2 335.408 0.235 20 30 ECEDLO Cc1cc(C#N)cc(NC(=O)C(=O)NCC[N@H+]2CCOC[C@@H]2C)c1 ZINC000453649630 438686291 /nfs/dbraw/zinc/68/62/91/438686291.db2.gz ZBALDVKGVYXJTI-ZDUSSCGKSA-N 1 2 330.388 0.642 20 30 ECEDLO Cc1cc(C#N)cc(NC(=O)C(=O)NCC[N@@H+]2CCOC[C@@H]2C)c1 ZINC000453649630 438686296 /nfs/dbraw/zinc/68/62/96/438686296.db2.gz ZBALDVKGVYXJTI-ZDUSSCGKSA-N 1 2 330.388 0.642 20 30 ECEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000412445847 438687820 /nfs/dbraw/zinc/68/78/20/438687820.db2.gz NLGWSFQBKVKSMJ-HZPDHXFCSA-N 1 2 326.437 0.773 20 30 ECEDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2nccc(C#N)c2[N+](=O)[O-])C1 ZINC000450542840 438692006 /nfs/dbraw/zinc/69/20/06/438692006.db2.gz WUUJDWGEMYTMQX-LLVKDONJSA-N 1 2 333.348 1.158 20 30 ECEDLO COC(=O)C[N@H+]1CCC[C@H](CNc2nccc(C#N)c2[N+](=O)[O-])C1 ZINC000450542840 438692009 /nfs/dbraw/zinc/69/20/09/438692009.db2.gz WUUJDWGEMYTMQX-LLVKDONJSA-N 1 2 333.348 1.158 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@@H]1CS(C)(=O)=O ZINC000451663742 438705543 /nfs/dbraw/zinc/70/55/43/438705543.db2.gz XJYQPWYIYPIMBQ-ZIAGYGMSSA-N 1 2 329.466 0.894 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCC[C@@H]1CS(C)(=O)=O ZINC000451663742 438705544 /nfs/dbraw/zinc/70/55/44/438705544.db2.gz XJYQPWYIYPIMBQ-ZIAGYGMSSA-N 1 2 329.466 0.894 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)[C@@H](C)C[N@@H+]1CCO ZINC000577206671 438823568 /nfs/dbraw/zinc/82/35/68/438823568.db2.gz KCDJCHGYWZIRPQ-KGLIPLIRSA-N 1 2 329.466 0.787 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)[C@@H](C)C[N@H+]1CCO ZINC000577206671 438823575 /nfs/dbraw/zinc/82/35/75/438823575.db2.gz KCDJCHGYWZIRPQ-KGLIPLIRSA-N 1 2 329.466 0.787 20 30 ECEDLO CN1C[C@H]([N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)CCC1=O ZINC000514706850 438825183 /nfs/dbraw/zinc/82/51/83/438825183.db2.gz MZYRBTWUHKXUQX-CQSZACIVSA-N 1 2 335.429 0.885 20 30 ECEDLO CN1C[C@H]([N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)CCC1=O ZINC000514706850 438825185 /nfs/dbraw/zinc/82/51/85/438825185.db2.gz MZYRBTWUHKXUQX-CQSZACIVSA-N 1 2 335.429 0.885 20 30 ECEDLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccccc1CC#N ZINC000601342759 438853320 /nfs/dbraw/zinc/85/33/20/438853320.db2.gz DLXBXDJLDUYGGY-CQSZACIVSA-N 1 2 345.428 0.821 20 30 ECEDLO N#CCCN1CCN(C(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000601449198 438897475 /nfs/dbraw/zinc/89/74/75/438897475.db2.gz WRIFENJNDCIYOP-HNNXBMFYSA-N 1 2 344.419 0.104 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)CC2(C#N)CC2)CC1 ZINC000590219144 438904353 /nfs/dbraw/zinc/90/43/53/438904353.db2.gz KMJWOJBLJXKUFS-AWEZNQCLSA-N 1 2 336.436 0.366 20 30 ECEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)[C@H](CO)C1 ZINC000601469382 438908522 /nfs/dbraw/zinc/90/85/22/438908522.db2.gz PHOFBQHVHOOHPM-LBPRGKRZSA-N 1 2 329.809 0.509 20 30 ECEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)[C@H](CO)C1 ZINC000601469382 438908528 /nfs/dbraw/zinc/90/85/28/438908528.db2.gz PHOFBQHVHOOHPM-LBPRGKRZSA-N 1 2 329.809 0.509 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@](O)(C3CC3)C2)nc1 ZINC000595749810 438857339 /nfs/dbraw/zinc/85/73/39/438857339.db2.gz KYRQEKKDHAFZLO-INIZCTEOSA-N 1 2 335.429 0.964 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@](O)(C3CC3)C2)nc1 ZINC000595749810 438857345 /nfs/dbraw/zinc/85/73/45/438857345.db2.gz KYRQEKKDHAFZLO-INIZCTEOSA-N 1 2 335.429 0.964 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@H](OC)CS3(=O)=O)cc1C#N ZINC000595788284 438861608 /nfs/dbraw/zinc/86/16/08/438861608.db2.gz IFMSZVUMTMVKTP-IMJJTQAJSA-N 1 2 336.413 0.811 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@H](OC)CS3(=O)=O)cc1C#N ZINC000595788284 438861610 /nfs/dbraw/zinc/86/16/10/438861610.db2.gz IFMSZVUMTMVKTP-IMJJTQAJSA-N 1 2 336.413 0.811 20 30 ECEDLO N#Cc1cccc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)n1 ZINC000589450021 438871618 /nfs/dbraw/zinc/87/16/18/438871618.db2.gz WGXMRZDGZMOYKV-OAHLLOKOSA-N 1 2 330.388 0.517 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)c2cccc(C#N)n2)C1=O ZINC000589458629 438872528 /nfs/dbraw/zinc/87/25/28/438872528.db2.gz FOTJRTBLVGMLRH-AWEZNQCLSA-N 1 2 338.371 0.608 20 30 ECEDLO CCOC1CC(CNC(=O)c2cccc(C#N)n2)([NH+]2CCOCC2)C1 ZINC000589497099 438873130 /nfs/dbraw/zinc/87/31/30/438873130.db2.gz PUOICTOQXLLWGS-UHFFFAOYSA-N 1 2 344.415 0.953 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 ZINC000590398679 438917990 /nfs/dbraw/zinc/91/79/90/438917990.db2.gz PHGDOXZIOJCYPY-UHFFFAOYSA-N 1 2 341.419 0.426 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2nc(C#N)ccc2C)CC1 ZINC000596106863 438924249 /nfs/dbraw/zinc/92/42/49/438924249.db2.gz HZDSUNNGEXUUHQ-HNNXBMFYSA-N 1 2 345.447 0.925 20 30 ECEDLO N#Cc1cc(NC[C@]2(CO)COCC[N@@H+]2Cc2ccccc2)ncn1 ZINC000596516139 438972056 /nfs/dbraw/zinc/97/20/56/438972056.db2.gz RKFXTJRRRBQVAN-SFHVURJKSA-N 1 2 339.399 1.024 20 30 ECEDLO N#Cc1cc(NC[C@]2(CO)COCC[N@H+]2Cc2ccccc2)ncn1 ZINC000596516139 438972059 /nfs/dbraw/zinc/97/20/59/438972059.db2.gz RKFXTJRRRBQVAN-SFHVURJKSA-N 1 2 339.399 1.024 20 30 ECEDLO N#Cc1cnnc(NC[C@@]2(CO)COCC[N@@H+]2Cc2ccccc2)c1 ZINC000596514262 438972713 /nfs/dbraw/zinc/97/27/13/438972713.db2.gz DYMXKUYOSMJTKF-GOSISDBHSA-N 1 2 339.399 1.024 20 30 ECEDLO N#Cc1cnnc(NC[C@@]2(CO)COCC[N@H+]2Cc2ccccc2)c1 ZINC000596514262 438972718 /nfs/dbraw/zinc/97/27/18/438972718.db2.gz DYMXKUYOSMJTKF-GOSISDBHSA-N 1 2 339.399 1.024 20 30 ECEDLO CN(C)C(=O)COC1C[NH+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000601959695 438992150 /nfs/dbraw/zinc/99/21/50/438992150.db2.gz QSEGIDAGOXOKKC-CQSZACIVSA-N 1 2 333.388 0.087 20 30 ECEDLO C[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2cc(F)cc(C#N)c2)CCO1 ZINC000602019326 438997353 /nfs/dbraw/zinc/99/73/53/438997353.db2.gz HHQZKNKVJNPWKB-NSHDSACASA-N 1 2 334.351 0.473 20 30 ECEDLO C[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cc(F)cc(C#N)c2)CCO1 ZINC000602019326 438997358 /nfs/dbraw/zinc/99/73/58/438997358.db2.gz HHQZKNKVJNPWKB-NSHDSACASA-N 1 2 334.351 0.473 20 30 ECEDLO C=CCSCCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000602244415 439046223 /nfs/dbraw/zinc/04/62/23/439046223.db2.gz FQPJVNBLXZSPHS-MRXNPFEDSA-N 1 2 343.493 0.821 20 30 ECEDLO C=CCSCCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000602244415 439046226 /nfs/dbraw/zinc/04/62/26/439046226.db2.gz FQPJVNBLXZSPHS-MRXNPFEDSA-N 1 2 343.493 0.821 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cn1cc(Br)ccc1=O ZINC000519162007 439025573 /nfs/dbraw/zinc/02/55/73/439025573.db2.gz WROZWTVULFTGTQ-ZDUSSCGKSA-N 1 2 341.209 0.571 20 30 ECEDLO COc1cc(CCC(=O)N(CCC#N)CC[NH+]2CCOCC2)on1 ZINC000597024573 439030498 /nfs/dbraw/zinc/03/04/98/439030498.db2.gz LKHZMLOUUZSMSG-UHFFFAOYSA-N 1 2 336.392 0.690 20 30 ECEDLO Cn1ncc(Cl)c1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000597021669 439030586 /nfs/dbraw/zinc/03/05/86/439030586.db2.gz NLMJJXVWBGGRFO-UHFFFAOYSA-N 1 2 325.800 0.762 20 30 ECEDLO COC(=O)c1cnc([C@H](C)NC[C@H](O)C[N@H+](C)CCC#N)s1 ZINC000519540364 439039291 /nfs/dbraw/zinc/03/92/91/439039291.db2.gz PIYKZEGJLNICFD-QWRGUYRKSA-N 1 2 326.422 0.787 20 30 ECEDLO COC(=O)c1cnc([C@H](C)NC[C@H](O)C[N@@H+](C)CCC#N)s1 ZINC000519540364 439039295 /nfs/dbraw/zinc/03/92/95/439039295.db2.gz PIYKZEGJLNICFD-QWRGUYRKSA-N 1 2 326.422 0.787 20 30 ECEDLO C[C@@H](C(=O)NC1(c2ccc(C#N)cc2)CCC1)N1CC[NH2+]CC1=O ZINC000602520567 439103245 /nfs/dbraw/zinc/10/32/45/439103245.db2.gz HGNHRWBKZFLUCT-ZDUSSCGKSA-N 1 2 326.400 0.874 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)cn1 ZINC000478909712 439108985 /nfs/dbraw/zinc/10/89/85/439108985.db2.gz XVHUZQRJUGTBJG-INIZCTEOSA-N 1 2 330.388 0.517 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000581126424 439171344 /nfs/dbraw/zinc/17/13/44/439171344.db2.gz LAAFBFOOTZSVLR-CVEARBPZSA-N 1 2 337.464 0.980 20 30 ECEDLO CCOC(=O)C1(O)CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000580774830 439129001 /nfs/dbraw/zinc/12/90/01/439129001.db2.gz ZGUGHVQBUGLVSF-UHFFFAOYSA-N 1 2 329.360 0.491 20 30 ECEDLO C[C@@H]1C[N@H+]([C@@H]2CCCN(c3ccn(C)n3)C2=O)C[C@H](C)N1CC#N ZINC000602854826 439143594 /nfs/dbraw/zinc/14/35/94/439143594.db2.gz DWCJBYFJQLMYIR-QLFBSQMISA-N 1 2 330.436 0.834 20 30 ECEDLO C[C@@H]1C[N@@H+]([C@@H]2CCCN(c3ccn(C)n3)C2=O)C[C@H](C)N1CC#N ZINC000602854826 439143599 /nfs/dbraw/zinc/14/35/99/439143599.db2.gz DWCJBYFJQLMYIR-QLFBSQMISA-N 1 2 330.436 0.834 20 30 ECEDLO CC[C@H](C)[C@H](NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)C(=O)OC ZINC000602856714 439144506 /nfs/dbraw/zinc/14/45/06/439144506.db2.gz MMFYXUUPYLPSME-AYDFFVQHSA-N 1 2 338.452 0.608 20 30 ECEDLO CC[C@H](C)[C@H](NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)C(=O)OC ZINC000602856714 439144514 /nfs/dbraw/zinc/14/45/14/439144514.db2.gz MMFYXUUPYLPSME-AYDFFVQHSA-N 1 2 338.452 0.608 20 30 ECEDLO C[C@H](CC#N)[NH2+]CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000602869768 439147282 /nfs/dbraw/zinc/14/72/82/439147282.db2.gz OORURYAGEFZIBK-CQSZACIVSA-N 1 2 344.415 0.667 20 30 ECEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C1 ZINC000602858482 439147673 /nfs/dbraw/zinc/14/76/73/439147673.db2.gz BKWXQEGYKQBBIR-IJEWVQPXSA-N 1 2 335.452 0.032 20 30 ECEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C1 ZINC000602858482 439147677 /nfs/dbraw/zinc/14/76/77/439147677.db2.gz BKWXQEGYKQBBIR-IJEWVQPXSA-N 1 2 335.452 0.032 20 30 ECEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](Cn3ccnn3)C2)cc1 ZINC000602902105 439154800 /nfs/dbraw/zinc/15/48/00/439154800.db2.gz GHPNXSYMVBWNCB-NVXWUHKLSA-N 1 2 343.387 0.290 20 30 ECEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H](Cn3ccnn3)C2)cc1 ZINC000602902105 439154804 /nfs/dbraw/zinc/15/48/04/439154804.db2.gz GHPNXSYMVBWNCB-NVXWUHKLSA-N 1 2 343.387 0.290 20 30 ECEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000602910361 439158243 /nfs/dbraw/zinc/15/82/43/439158243.db2.gz XLBDTVARGXSCTL-CVEARBPZSA-N 1 2 343.387 0.290 20 30 ECEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000602910361 439158252 /nfs/dbraw/zinc/15/82/52/439158252.db2.gz XLBDTVARGXSCTL-CVEARBPZSA-N 1 2 343.387 0.290 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000592192290 439174456 /nfs/dbraw/zinc/17/44/56/439174456.db2.gz BTVKGHMYTCZKOC-UHTWSYAYSA-N 1 2 349.387 0.951 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000592192290 439174459 /nfs/dbraw/zinc/17/44/59/439174459.db2.gz BTVKGHMYTCZKOC-UHTWSYAYSA-N 1 2 349.387 0.951 20 30 ECEDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000592205856 439183900 /nfs/dbraw/zinc/18/39/00/439183900.db2.gz XZBLUKMXDGYGEG-GOEBONIOSA-N 1 2 345.399 0.789 20 30 ECEDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000592205856 439183905 /nfs/dbraw/zinc/18/39/05/439183905.db2.gz XZBLUKMXDGYGEG-GOEBONIOSA-N 1 2 345.399 0.789 20 30 ECEDLO COC1CC[NH+](Cc2cn(CC(=O)N[C@@](C)(C#N)C3CC3)nn2)CC1 ZINC000603185174 439204816 /nfs/dbraw/zinc/20/48/16/439204816.db2.gz YJPBJRZUNYJTRB-KRWDZBQOSA-N 1 2 346.435 0.697 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc3c(c2)COC3)CC1 ZINC000490656943 439284889 /nfs/dbraw/zinc/28/48/89/439284889.db2.gz PDWSFHGLCYFEHW-UHFFFAOYSA-N 1 2 341.411 0.614 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc3c(c2)COC3)CC1 ZINC000490656943 439284893 /nfs/dbraw/zinc/28/48/93/439284893.db2.gz PDWSFHGLCYFEHW-UHFFFAOYSA-N 1 2 341.411 0.614 20 30 ECEDLO C#CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2[nH]cc[nH+]2)c1 ZINC000490637625 439283351 /nfs/dbraw/zinc/28/33/51/439283351.db2.gz RKPLTIWFZYBFQI-UHFFFAOYSA-N 1 2 332.385 0.593 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(CC)[nH]c(=O)c2)CC1 ZINC000490923429 439313129 /nfs/dbraw/zinc/31/31/29/439313129.db2.gz KJVVJWKKSLVFBQ-UHFFFAOYSA-N 1 2 344.415 0.247 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(CC)[nH]c(=O)c2)CC1 ZINC000490923429 439313131 /nfs/dbraw/zinc/31/31/31/439313131.db2.gz KJVVJWKKSLVFBQ-UHFFFAOYSA-N 1 2 344.415 0.247 20 30 ECEDLO CCc1nc(C#N)cc(NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)n1 ZINC000528130631 439319219 /nfs/dbraw/zinc/31/92/19/439319219.db2.gz LVHDWAADGDLSDB-QGZVFWFLSA-N 1 2 331.420 0.938 20 30 ECEDLO CCc1nc(C#N)cc(NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)n1 ZINC000528130631 439319225 /nfs/dbraw/zinc/31/92/25/439319225.db2.gz LVHDWAADGDLSDB-QGZVFWFLSA-N 1 2 331.420 0.938 20 30 ECEDLO C#CCN1CCN(C(=O)C[NH+]2CCC(C(=O)C(F)(F)F)CC2)CC1 ZINC000491021021 439324504 /nfs/dbraw/zinc/32/45/04/439324504.db2.gz KCHSYZYKMPSELT-UHFFFAOYSA-N 1 2 345.365 0.607 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2nccn2CC(F)(F)F)CC1 ZINC000491072737 439330246 /nfs/dbraw/zinc/33/02/46/439330246.db2.gz VJUJBMDVBGWMCQ-UHFFFAOYSA-N 1 2 343.353 0.312 20 30 ECEDLO C#CC[N@@H+](CC#CC)CC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000490677198 439286529 /nfs/dbraw/zinc/28/65/29/439286529.db2.gz KEAKDNYZCMEERS-UHFFFAOYSA-N 1 2 329.444 0.806 20 30 ECEDLO C#CC[N@H+](CC#CC)CC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000490677198 439286536 /nfs/dbraw/zinc/28/65/36/439286536.db2.gz KEAKDNYZCMEERS-UHFFFAOYSA-N 1 2 329.444 0.806 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)C[N@@H+]1CCCC(C)(C)C#N ZINC000598636844 439292985 /nfs/dbraw/zinc/29/29/85/439292985.db2.gz HUYDKLBERGCJIL-RYUDHWBXSA-N 1 2 336.392 0.484 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)C[N@H+]1CCCC(C)(C)C#N ZINC000598636844 439292988 /nfs/dbraw/zinc/29/29/88/439292988.db2.gz HUYDKLBERGCJIL-RYUDHWBXSA-N 1 2 336.392 0.484 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2nc(C(F)(F)F)ccc2=O)CC1 ZINC000490877102 439307243 /nfs/dbraw/zinc/30/72/43/439307243.db2.gz WKOXRYDPVNJODK-UHFFFAOYSA-N 1 2 328.294 0.040 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC(=O)C[C@H]2C)CC1 ZINC000490873334 439307443 /nfs/dbraw/zinc/30/74/43/439307443.db2.gz ILXWBFGEZCSXHA-GDBMZVCRSA-N 1 2 333.432 0.275 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC(=O)C[C@H]2C)CC1 ZINC000490873334 439307447 /nfs/dbraw/zinc/30/74/47/439307447.db2.gz ILXWBFGEZCSXHA-GDBMZVCRSA-N 1 2 333.432 0.275 20 30 ECEDLO C#CCN(C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000490917528 439310949 /nfs/dbraw/zinc/31/09/49/439310949.db2.gz YNGCLZWORKOIRC-OCCSQVGLSA-N 1 2 325.434 0.055 20 30 ECEDLO C#CCN(C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000490917528 439310950 /nfs/dbraw/zinc/31/09/50/439310950.db2.gz YNGCLZWORKOIRC-OCCSQVGLSA-N 1 2 325.434 0.055 20 30 ECEDLO C#CCN(C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)C1CC1 ZINC000491277459 439361220 /nfs/dbraw/zinc/36/12/20/439361220.db2.gz OTKPJRIJPXIDLF-UHFFFAOYSA-N 1 2 328.420 0.406 20 30 ECEDLO CC(=O)NCC(=O)N1CCC[N@H+](Cc2cccc(C#N)c2F)CC1 ZINC000528739385 439365229 /nfs/dbraw/zinc/36/52/29/439365229.db2.gz UOGUCDWMAQNGKO-UHFFFAOYSA-N 1 2 332.379 0.868 20 30 ECEDLO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2cccc(C#N)c2F)CC1 ZINC000528739385 439365235 /nfs/dbraw/zinc/36/52/35/439365235.db2.gz UOGUCDWMAQNGKO-UHFFFAOYSA-N 1 2 332.379 0.868 20 30 ECEDLO C[C@@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CC[S@](=O)C1 ZINC000528478594 439339643 /nfs/dbraw/zinc/33/96/43/439339643.db2.gz UMTNEDPYKYVLTC-SHACYNPGSA-N 1 2 344.436 0.986 20 30 ECEDLO C[C@@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CC[S@](=O)C1 ZINC000528478594 439339648 /nfs/dbraw/zinc/33/96/48/439339648.db2.gz UMTNEDPYKYVLTC-SHACYNPGSA-N 1 2 344.436 0.986 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000491166325 439341171 /nfs/dbraw/zinc/34/11/71/439341171.db2.gz RCKWTQSXEMOBOC-UHFFFAOYSA-N 1 2 326.400 0.304 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@@H](C)C(=O)N2CCCC[C@H]2CC)CC1 ZINC000491167511 439343193 /nfs/dbraw/zinc/34/31/93/439343193.db2.gz YMBZAKODDMFKJY-DLBZAZTESA-N 1 2 348.491 0.533 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCn1cc(Br)cn1 ZINC000593155337 439349306 /nfs/dbraw/zinc/34/93/06/439349306.db2.gz PCANDEBHBRQMPP-GFCCVEGCSA-N 1 2 328.214 0.996 20 30 ECEDLO CCC(C#N)(CC)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000528600763 439350908 /nfs/dbraw/zinc/35/09/08/439350908.db2.gz XHUFXJHONBXNKF-AWEZNQCLSA-N 1 2 336.436 0.366 20 30 ECEDLO C#CC[NH+]1CCN(CN2C[C@H](NC(=O)OC(C)(C)C)CC2=O)CC1 ZINC000491230108 439355472 /nfs/dbraw/zinc/35/54/72/439355472.db2.gz KWAXGYACPWECLH-CQSZACIVSA-N 1 2 336.436 0.320 20 30 ECEDLO CC[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1[nH]cc[nH+]1 ZINC000582877639 439389720 /nfs/dbraw/zinc/38/97/20/439389720.db2.gz WOTDDESQLDPYPK-CYBMUJFWSA-N 1 2 347.400 0.827 20 30 ECEDLO N#C[C@@]1(F)CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)C1 ZINC000599224914 439389276 /nfs/dbraw/zinc/38/92/76/439389276.db2.gz BZJZIXZXTULELT-WBVHZDCISA-N 1 2 347.394 0.930 20 30 ECEDLO N#C[C@@]1(F)CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)C1 ZINC000599224914 439389280 /nfs/dbraw/zinc/38/92/80/439389280.db2.gz BZJZIXZXTULELT-WBVHZDCISA-N 1 2 347.394 0.930 20 30 ECEDLO COC(=O)c1cnc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cn1 ZINC000599269964 439409787 /nfs/dbraw/zinc/40/97/87/439409787.db2.gz YGWBUBWDHICCDK-UHFFFAOYSA-N 1 2 338.371 0.852 20 30 ECEDLO N#Cc1sccc1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000593572589 439411029 /nfs/dbraw/zinc/41/10/29/439411029.db2.gz PHKLYADHQLXRFI-VXGBXAGGSA-N 1 2 341.458 0.839 20 30 ECEDLO C#C[C@H]1COCCN1S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000491640155 439417158 /nfs/dbraw/zinc/41/71/58/439417158.db2.gz XQLHIULYPFVDMK-HNNXBMFYSA-N 1 2 331.397 0.954 20 30 ECEDLO C#CC[N@@H+](C[C@H](O)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000491661091 439422268 /nfs/dbraw/zinc/42/22/68/439422268.db2.gz ZJOQHDXBHZQKAE-HZPDHXFCSA-N 1 2 325.405 0.851 20 30 ECEDLO C#CC[N@H+](C[C@H](O)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000491661091 439422273 /nfs/dbraw/zinc/42/22/73/439422273.db2.gz ZJOQHDXBHZQKAE-HZPDHXFCSA-N 1 2 325.405 0.851 20 30 ECEDLO C#CC[NH+]1CCN(CN2C[C@@](C(=O)OCC)(C(C)C)CC2=O)CC1 ZINC000491810113 439455445 /nfs/dbraw/zinc/45/54/45/439455445.db2.gz HOZXTFYCUNXYTP-GOSISDBHSA-N 1 2 335.448 0.633 20 30 ECEDLO COC(=O)C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)CCO1 ZINC000599306190 439426154 /nfs/dbraw/zinc/42/61/54/439426154.db2.gz FPYLFUNIPJXYBT-LSDHHAIUSA-N 1 2 334.372 0.562 20 30 ECEDLO COC(=O)C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)CCO1 ZINC000599306190 439426159 /nfs/dbraw/zinc/42/61/59/439426159.db2.gz FPYLFUNIPJXYBT-LSDHHAIUSA-N 1 2 334.372 0.562 20 30 ECEDLO COC(=O)C[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)CCO1 ZINC000599306051 439427114 /nfs/dbraw/zinc/42/71/14/439427114.db2.gz CZWRWSSPRBEFJO-ZIAGYGMSSA-N 1 2 326.393 0.322 20 30 ECEDLO COC(=O)C[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)CCO1 ZINC000599306051 439427117 /nfs/dbraw/zinc/42/71/17/439427117.db2.gz CZWRWSSPRBEFJO-ZIAGYGMSSA-N 1 2 326.393 0.322 20 30 ECEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593651608 439435344 /nfs/dbraw/zinc/43/53/44/439435344.db2.gz MTPNWBUSWZGHOG-CYBMUJFWSA-N 1 2 337.401 0.006 20 30 ECEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593651608 439435349 /nfs/dbraw/zinc/43/53/49/439435349.db2.gz MTPNWBUSWZGHOG-CYBMUJFWSA-N 1 2 337.401 0.006 20 30 ECEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCc1ccc(CC#N)cc1 ZINC000570631199 439436023 /nfs/dbraw/zinc/43/60/23/439436023.db2.gz ILBGCMOCOSRKSS-AWEZNQCLSA-N 1 2 344.415 0.206 20 30 ECEDLO C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NCc1ccc(CC#N)cc1 ZINC000570631199 439436029 /nfs/dbraw/zinc/43/60/29/439436029.db2.gz ILBGCMOCOSRKSS-AWEZNQCLSA-N 1 2 344.415 0.206 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cnc3cnc(Cl)cc3c2=O)CC1 ZINC000491740078 439438508 /nfs/dbraw/zinc/43/85/08/439438508.db2.gz UQFZPJZJVPXLOU-UHFFFAOYSA-N 1 2 345.790 0.222 20 30 ECEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000529755195 439453767 /nfs/dbraw/zinc/45/37/67/439453767.db2.gz ZMJBVXMYRRIZCI-RKVPGOIHSA-N 1 2 338.448 0.700 20 30 ECEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000529755195 439453773 /nfs/dbraw/zinc/45/37/73/439453773.db2.gz ZMJBVXMYRRIZCI-RKVPGOIHSA-N 1 2 338.448 0.700 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000492064079 439491510 /nfs/dbraw/zinc/49/15/10/439491510.db2.gz BIIRMZVRQAUFSA-BQYQJAHWSA-N 1 2 326.400 0.980 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000599500131 439492155 /nfs/dbraw/zinc/49/21/55/439492155.db2.gz PVNAUGKZTFDDHO-ZDUSSCGKSA-N 1 2 330.454 0.262 20 30 ECEDLO N#Cc1ccc(N2CC[C@H]([NH+]3CCN(c4nccnn4)CC3)C2=O)cc1 ZINC000599509247 439495641 /nfs/dbraw/zinc/49/56/41/439495641.db2.gz BQGFKOVUGQXMRK-INIZCTEOSA-N 1 2 349.398 0.671 20 30 ECEDLO COCC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@H](O)C(F)(F)F ZINC000594017551 439507314 /nfs/dbraw/zinc/50/73/14/439507314.db2.gz HMMLNFYIUMXMPG-AAEUAGOBSA-N 1 2 337.342 0.666 20 30 ECEDLO COCC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@H](O)C(F)(F)F ZINC000594017551 439507318 /nfs/dbraw/zinc/50/73/18/439507318.db2.gz HMMLNFYIUMXMPG-AAEUAGOBSA-N 1 2 337.342 0.666 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2ncc3c(c2C#N)CCC3)CC1 ZINC000491818242 439458318 /nfs/dbraw/zinc/45/83/18/439458318.db2.gz PWDDRYPUJDCNJI-UHFFFAOYSA-N 1 2 337.427 0.703 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(c2ncc3c(c2C#N)CCC3)CC1 ZINC000491818242 439458324 /nfs/dbraw/zinc/45/83/24/439458324.db2.gz PWDDRYPUJDCNJI-UHFFFAOYSA-N 1 2 337.427 0.703 20 30 ECEDLO C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[NH+]1CCC(CC#N)CC1 ZINC000543806356 439564089 /nfs/dbraw/zinc/56/40/89/439564089.db2.gz CWNUIBVBHZCNHT-OCCSQVGLSA-N 1 2 327.450 0.646 20 30 ECEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)NCCCN2CCCC2=O)CC1 ZINC000609537523 439573246 /nfs/dbraw/zinc/57/32/46/439573246.db2.gz AFHURTBEFWSGNE-MRXNPFEDSA-N 1 2 349.479 0.281 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCN1CCCS1(=O)=O ZINC000610615284 439630848 /nfs/dbraw/zinc/63/08/48/439630848.db2.gz ZELYYQHAQXWITQ-ZFWWWQNUSA-N 1 2 344.481 0.397 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CCN1CCCS1(=O)=O ZINC000610615284 439630852 /nfs/dbraw/zinc/63/08/52/439630852.db2.gz ZELYYQHAQXWITQ-ZFWWWQNUSA-N 1 2 344.481 0.397 20 30 ECEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000600420919 439654569 /nfs/dbraw/zinc/65/45/69/439654569.db2.gz LZACPMBTJHXGCL-LRDDRELGSA-N 1 2 325.409 0.695 20 30 ECEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000600420919 439654573 /nfs/dbraw/zinc/65/45/73/439654573.db2.gz LZACPMBTJHXGCL-LRDDRELGSA-N 1 2 325.409 0.695 20 30 ECEDLO Cc1nc(NC(=O)C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)ccc1C#N ZINC000595125712 439657114 /nfs/dbraw/zinc/65/71/14/439657114.db2.gz KQWYQFHNQHQFSZ-RYUDHWBXSA-N 1 2 345.403 0.426 20 30 ECEDLO Cc1nc(NC(=O)C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)ccc1C#N ZINC000595125712 439657118 /nfs/dbraw/zinc/65/71/18/439657118.db2.gz KQWYQFHNQHQFSZ-RYUDHWBXSA-N 1 2 345.403 0.426 20 30 ECEDLO Cc1nc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)ccc1C#N ZINC000595156305 439662952 /nfs/dbraw/zinc/66/29/52/439662952.db2.gz VRBCPRWZFDVBBB-CQSZACIVSA-N 1 2 343.387 0.133 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000611003820 439664411 /nfs/dbraw/zinc/66/44/11/439664411.db2.gz KDXPXNOBSIVKKZ-CYBMUJFWSA-N 1 2 347.400 0.732 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000611003820 439664419 /nfs/dbraw/zinc/66/44/19/439664419.db2.gz KDXPXNOBSIVKKZ-CYBMUJFWSA-N 1 2 347.400 0.732 20 30 ECEDLO C[C@H](NC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C)c1cccc(C#N)c1 ZINC000587705479 439669764 /nfs/dbraw/zinc/66/97/64/439669764.db2.gz SAZVYHQGKARGRX-KGLIPLIRSA-N 1 2 344.415 0.572 20 30 ECEDLO C[C@H](NC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C)c1cccc(C#N)c1 ZINC000587705479 439669766 /nfs/dbraw/zinc/66/97/66/439669766.db2.gz SAZVYHQGKARGRX-KGLIPLIRSA-N 1 2 344.415 0.572 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cc1cccc(C#N)c1 ZINC000600233386 439626634 /nfs/dbraw/zinc/62/66/34/439626634.db2.gz XUXOVIJYANZPPY-IBGZPJMESA-N 1 2 343.427 0.833 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cc1cccc(C#N)c1 ZINC000600233386 439626636 /nfs/dbraw/zinc/62/66/36/439626636.db2.gz XUXOVIJYANZPPY-IBGZPJMESA-N 1 2 343.427 0.833 20 30 ECEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(NCC(C)(C)C#N)nc2)CC1 ZINC000611617863 439711781 /nfs/dbraw/zinc/71/17/81/439711781.db2.gz JQYRYMPLVIBDTO-UHFFFAOYSA-N 1 2 337.449 0.979 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCNC3=O)CC2)cc1 ZINC000600946380 439716729 /nfs/dbraw/zinc/71/67/29/439716729.db2.gz UCOBIQJCWUGHIB-INIZCTEOSA-N 1 2 326.400 0.729 20 30 ECEDLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)CCC(C)(C)C#N)[C@H](C)C1 ZINC000573884386 439673181 /nfs/dbraw/zinc/67/31/81/439673181.db2.gz GLIZGNKYKTURPB-CYBMUJFWSA-N 1 2 345.465 0.825 20 30 ECEDLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)CCC(C)(C)C#N)[C@H](C)C1 ZINC000573884386 439673183 /nfs/dbraw/zinc/67/31/83/439673183.db2.gz GLIZGNKYKTURPB-CYBMUJFWSA-N 1 2 345.465 0.825 20 30 ECEDLO C[C@H](NC(=O)N(CCO)CC[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000611210904 439681600 /nfs/dbraw/zinc/68/16/00/439681600.db2.gz LDWSENMAQINLOT-HNNXBMFYSA-N 1 2 346.431 0.955 20 30 ECEDLO Cc1nnc(CN2CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)[nH]1 ZINC000611431368 439696205 /nfs/dbraw/zinc/69/62/05/439696205.db2.gz VUOOXVITBMSZIM-CXAGYDPISA-N 1 2 347.467 0.674 20 30 ECEDLO CCCNC(=O)C[NH+]1CCC(NC(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000614295484 439773515 /nfs/dbraw/zinc/77/35/15/439773515.db2.gz SVVKPTOYHRYBHW-UHFFFAOYSA-N 1 2 344.415 0.984 20 30 ECEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000658678865 440062125 /nfs/dbraw/zinc/06/21/25/440062125.db2.gz ZRNJGCVRUGNPTP-JKSUJKDBSA-N 1 2 337.464 0.980 20 30 ECEDLO C=CCn1cc(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)nn1 ZINC000648375044 440286798 /nfs/dbraw/zinc/28/67/98/440286798.db2.gz QLBYCRJBASNTAU-UHFFFAOYSA-N 1 2 340.387 0.560 20 30 ECEDLO C=CCn1cc(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)nn1 ZINC000648375044 440286802 /nfs/dbraw/zinc/28/68/02/440286802.db2.gz QLBYCRJBASNTAU-UHFFFAOYSA-N 1 2 340.387 0.560 20 30 ECEDLO CC#CC[C@@H](CO)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000649181048 440407542 /nfs/dbraw/zinc/40/75/42/440407542.db2.gz SGVOGXMIEZPLLE-ZFWWWQNUSA-N 1 2 334.420 0.374 20 30 ECEDLO CC#CC[C@@H](CO)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000649181048 440407547 /nfs/dbraw/zinc/40/75/47/440407547.db2.gz SGVOGXMIEZPLLE-ZFWWWQNUSA-N 1 2 334.420 0.374 20 30 ECEDLO C=C[C@H](CO)NC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000665447387 440467978 /nfs/dbraw/zinc/46/79/78/440467978.db2.gz DNKHCNRWWZPKMX-CYBMUJFWSA-N 1 2 332.404 0.743 20 30 ECEDLO C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3COCC[N@H+]3C)cc2C1=O ZINC000628926155 440584529 /nfs/dbraw/zinc/58/45/29/440584529.db2.gz PTDFBOIOMBXNFS-ZDUSSCGKSA-N 1 2 343.383 0.529 20 30 ECEDLO C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3COCC[N@@H+]3C)cc2C1=O ZINC000628926155 440584535 /nfs/dbraw/zinc/58/45/35/440584535.db2.gz PTDFBOIOMBXNFS-ZDUSSCGKSA-N 1 2 343.383 0.529 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000644844499 440701334 /nfs/dbraw/zinc/70/13/34/440701334.db2.gz ZSRRMCIIJXVPFR-ZFWWWQNUSA-N 1 2 332.404 0.631 20 30 ECEDLO C=CCn1cc(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)nn1 ZINC000644944466 440721183 /nfs/dbraw/zinc/72/11/83/440721183.db2.gz VBSGIDMPKMWXHR-ZDUSSCGKSA-N 1 2 327.392 0.937 20 30 ECEDLO C=CCCNC(=O)N1CC[NH+]([C@@H](C)C(=O)NCCCOC)CC1 ZINC000661571410 440880620 /nfs/dbraw/zinc/88/06/20/440880620.db2.gz UNHWBBQYHGXYSF-AWEZNQCLSA-N 1 2 326.441 0.431 20 30 ECEDLO C=CCC1(NS(=O)(=O)CCC[NH+]2CCOCC2)CCOCC1 ZINC000657129642 440967687 /nfs/dbraw/zinc/96/76/87/440967687.db2.gz XCVUXRXUZDVLRL-UHFFFAOYSA-N 1 2 332.466 0.753 20 30 ECEDLO C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001077991469 782090841 /nfs/dbraw/zinc/09/08/41/782090841.db2.gz QHRWCDJITRULOH-HUUCEWRRSA-N 1 2 347.806 0.795 20 30 ECEDLO C=CCCCN(C)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000153443426 527181702 /nfs/dbraw/zinc/18/17/02/527181702.db2.gz YWDGBCMKKLGOJO-UHFFFAOYSA-N 1 2 349.435 0.578 20 30 ECEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CN1CC[NH2+]CC1=O ZINC000236657497 545927588 /nfs/dbraw/zinc/92/75/88/545927588.db2.gz AVOYDDWGVQWCED-UHFFFAOYSA-N 1 2 332.360 0.541 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccn(-c4cccc(C#N)c4)n3)C[C@H]21 ZINC000328642799 546002574 /nfs/dbraw/zinc/00/25/74/546002574.db2.gz ACVGPKKSNLMODT-IAGOWNOFSA-N 1 2 337.383 0.899 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccn(-c4cccc(C#N)c4)n3)C[C@H]21 ZINC000328642799 546002580 /nfs/dbraw/zinc/00/25/80/546002580.db2.gz ACVGPKKSNLMODT-IAGOWNOFSA-N 1 2 337.383 0.899 20 30 ECEDLO C[N@H+](CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCSC1 ZINC000328841189 546007630 /nfs/dbraw/zinc/00/76/30/546007630.db2.gz PIHUXJVXJIGUNS-NXEZZACHSA-N 1 2 335.451 0.481 20 30 ECEDLO C[N@@H+](CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCSC1 ZINC000328841189 546007634 /nfs/dbraw/zinc/00/76/34/546007634.db2.gz PIHUXJVXJIGUNS-NXEZZACHSA-N 1 2 335.451 0.481 20 30 ECEDLO O=C(CCNC(=O)[C@@H]1COCCO1)N1CCN(c2cccc[nH+]2)CC1 ZINC000328899772 546008589 /nfs/dbraw/zinc/00/85/89/546008589.db2.gz ZDZXMYNUYQXMAD-AWEZNQCLSA-N 1 2 348.403 0.492 20 30 ECEDLO CN1CC[N@H+](C)[C@H](CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000329398696 546022207 /nfs/dbraw/zinc/02/22/07/546022207.db2.gz YENOMXACONNDHH-GFCCVEGCSA-N 1 2 337.424 0.258 20 30 ECEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000329398696 546022212 /nfs/dbraw/zinc/02/22/12/546022212.db2.gz YENOMXACONNDHH-GFCCVEGCSA-N 1 2 337.424 0.258 20 30 ECEDLO CC(C)c1nnc2n1CCN(C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)C2 ZINC000329410149 546022314 /nfs/dbraw/zinc/02/23/14/546022314.db2.gz BLQWTXHLZJRPNL-AWEZNQCLSA-N 1 2 349.483 0.767 20 30 ECEDLO C=C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1)C(=O)OC ZINC000619703298 546358962 /nfs/dbraw/zinc/35/89/62/546358962.db2.gz ZQNWQMUNAOTGEF-AWEZNQCLSA-N 1 2 346.449 0.277 20 30 ECEDLO C=C[C@@H](C(=O)OC)N1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1 ZINC000619716692 546363744 /nfs/dbraw/zinc/36/37/44/546363744.db2.gz WLXUXHWBUUGHSS-ZDUSSCGKSA-N 1 2 348.428 0.601 20 30 ECEDLO CN(C)c1c[nH+]ccc1NC(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000619808291 546372406 /nfs/dbraw/zinc/37/24/06/546372406.db2.gz DMOQCWIGBGBJLB-UHFFFAOYSA-N 1 2 342.407 0.843 20 30 ECEDLO C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)CC(=O)N1CCCC1 ZINC000625044117 547011590 /nfs/dbraw/zinc/01/15/90/547011590.db2.gz OYSJEXUXVQCHMD-UHFFFAOYSA-N 1 2 339.395 0.840 20 30 ECEDLO C[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)CC(=O)N1CCCC1 ZINC000625044117 547011592 /nfs/dbraw/zinc/01/15/92/547011592.db2.gz OYSJEXUXVQCHMD-UHFFFAOYSA-N 1 2 339.395 0.840 20 30 ECEDLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000748454790 579324743 /nfs/dbraw/zinc/32/47/43/579324743.db2.gz AJFCARGCHSECSR-KGLIPLIRSA-N 1 2 337.420 0.981 20 30 ECEDLO CC[N@H+]1CCO[C@H](C(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000748454790 579324744 /nfs/dbraw/zinc/32/47/44/579324744.db2.gz AJFCARGCHSECSR-KGLIPLIRSA-N 1 2 337.420 0.981 20 30 ECEDLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)N(CC#N)c2ccccc2)C1 ZINC000748457832 579324897 /nfs/dbraw/zinc/32/48/97/579324897.db2.gz LXDYBVHCNXFWNO-HNNXBMFYSA-N 1 2 331.372 0.807 20 30 ECEDLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)N(CC#N)c2ccccc2)C1 ZINC000748457832 579324898 /nfs/dbraw/zinc/32/48/98/579324898.db2.gz LXDYBVHCNXFWNO-HNNXBMFYSA-N 1 2 331.372 0.807 20 30 ECEDLO Oc1c(F)cc(C=NNC(=S)NCC[NH+]2CCOCC2)cc1F ZINC000749857444 579344208 /nfs/dbraw/zinc/34/42/08/579344208.db2.gz DQPPGRYHMWCHIM-UHFFFAOYSA-N 1 2 344.387 0.801 20 30 ECEDLO C#CCNC(=S)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000758233267 579469306 /nfs/dbraw/zinc/46/93/06/579469306.db2.gz DPZVMIULWCCSOX-UHFFFAOYSA-N 1 2 348.447 0.681 20 30 ECEDLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000758452802 579473286 /nfs/dbraw/zinc/47/32/86/579473286.db2.gz CPRCCSYMYMYODG-VXGBXAGGSA-N 1 2 348.407 0.978 20 30 ECEDLO COC(=O)c1cn(C2CC[NH+](Cn3cccc(C#N)c3=O)CC2)nn1 ZINC000758962066 579484103 /nfs/dbraw/zinc/48/41/03/579484103.db2.gz JCQVWNWILRBEBS-UHFFFAOYSA-N 1 2 342.359 0.393 20 30 ECEDLO CN1C(=O)C(=O)N(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)C1=O ZINC000729472369 578295824 /nfs/dbraw/zinc/29/58/24/578295824.db2.gz LCJMLFPFHGURAB-UHFFFAOYSA-N 1 2 342.355 0.780 20 30 ECEDLO CN1CC[C@H](ON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)C1=O ZINC000734834562 578370672 /nfs/dbraw/zinc/37/06/72/578370672.db2.gz WLFBDSWCWHKGIE-HNNXBMFYSA-N 1 2 332.404 0.386 20 30 ECEDLO Cn1c[nH+]c(CN=Nc2ccccc2S(=O)(=O)N2CCOCC2)c1 ZINC000794512793 578591715 /nfs/dbraw/zinc/59/17/15/578591715.db2.gz BVEUUMPDPBTGSA-UHFFFAOYSA-N 1 2 349.416 0.887 20 30 ECEDLO C#CCC[C@H](O)CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000799217734 578661091 /nfs/dbraw/zinc/66/10/91/578661091.db2.gz QDTJGMPJNNFWGJ-AWEZNQCLSA-N 1 2 335.408 0.111 20 30 ECEDLO C=C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)C(=O)OC ZINC000799978556 578672530 /nfs/dbraw/zinc/67/25/30/578672530.db2.gz KDPNSIBCZGEUAO-JTQLQIEISA-N 1 2 326.365 0.568 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000780598992 578696952 /nfs/dbraw/zinc/69/69/52/578696952.db2.gz POFRDVPOOQOVAF-ZDUSSCGKSA-N 1 2 347.481 0.074 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000780598992 578696953 /nfs/dbraw/zinc/69/69/53/578696953.db2.gz POFRDVPOOQOVAF-ZDUSSCGKSA-N 1 2 347.481 0.074 20 30 ECEDLO Cn1cc(C[NH+]2CCN(C(=O)NCc3ccc(C#N)cn3)CC2)cn1 ZINC000780650938 578698514 /nfs/dbraw/zinc/69/85/14/578698514.db2.gz LNLZXXXRDOXRGR-UHFFFAOYSA-N 1 2 339.403 0.714 20 30 ECEDLO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)OCC(=O)NC1(C#N)CCC1 ZINC000784231050 578749818 /nfs/dbraw/zinc/74/98/18/578749818.db2.gz UJECSWNHEYWPHU-HNNXBMFYSA-N 1 2 337.420 0.885 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCn3c(C(C)C)nnc3[C@@H]2C)CC1 ZINC000784377936 578751161 /nfs/dbraw/zinc/75/11/61/578751161.db2.gz CZYHRYYTONABMZ-HNNXBMFYSA-N 1 2 344.463 0.556 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000787463722 578807612 /nfs/dbraw/zinc/80/76/12/578807612.db2.gz VAYQZTYGOTYSMQ-UHFFFAOYSA-N 1 2 343.387 0.545 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2coc(C3CCC3)n2)CC1 ZINC000767879307 579118273 /nfs/dbraw/zinc/11/82/73/579118273.db2.gz BAEAFUYYBLFNFW-UHFFFAOYSA-N 1 2 344.415 0.839 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2coc(C3CCC3)n2)CC1 ZINC000767879307 579118275 /nfs/dbraw/zinc/11/82/75/579118275.db2.gz BAEAFUYYBLFNFW-UHFFFAOYSA-N 1 2 344.415 0.839 20 30 ECEDLO COc1ccc(C(N)=[NH+]OCC(=O)NCC(=O)NC(C)(C)C)cc1 ZINC000772886234 579216388 /nfs/dbraw/zinc/21/63/88/579216388.db2.gz XSLAXZMRPKMHBV-UHFFFAOYSA-N 1 2 336.392 0.363 20 30 ECEDLO C#C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[C@@H]1CCCO1 ZINC000773166994 579221599 /nfs/dbraw/zinc/22/15/99/579221599.db2.gz MYLWEQBIBPIGIO-CVEARBPZSA-N 1 2 344.415 0.898 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C)[C@@H]1CCCO1 ZINC000773792737 579234070 /nfs/dbraw/zinc/23/40/70/579234070.db2.gz FJASIZOJGRIRSF-OCCSQVGLSA-N 1 2 330.388 0.692 20 30 ECEDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)Cc1ccc(OCC#N)cc1 ZINC000779560348 579317688 /nfs/dbraw/zinc/31/76/88/579317688.db2.gz BUHOQXMWBAEMNX-HNNXBMFYSA-N 1 2 342.355 0.686 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000760430401 579510401 /nfs/dbraw/zinc/51/04/01/579510401.db2.gz LDWQVMHTIAOLAF-UHFFFAOYSA-N 1 2 337.401 0.155 20 30 ECEDLO N#Cc1ccc(NCCNC(=O)NCC2([NH+]3CCOCC3)CC2)nc1 ZINC000764763459 579580027 /nfs/dbraw/zinc/58/00/27/579580027.db2.gz LXVDZUVGNFXOLG-UHFFFAOYSA-N 1 2 344.419 0.529 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000739815299 579715915 /nfs/dbraw/zinc/71/59/15/579715915.db2.gz UANIXFZRLKTBCB-HOCLYGCPSA-N 1 2 339.395 0.928 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000739815299 579715916 /nfs/dbraw/zinc/71/59/16/579715916.db2.gz UANIXFZRLKTBCB-HOCLYGCPSA-N 1 2 339.395 0.928 20 30 ECEDLO C#CCNC(=O)[C@H](C)OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741382276 579772985 /nfs/dbraw/zinc/77/29/85/579772985.db2.gz NUXQXMKFYXLKPL-GOEBONIOSA-N 1 2 330.384 0.569 20 30 ECEDLO C#CCNC(=O)[C@H](C)OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741382276 579772986 /nfs/dbraw/zinc/77/29/86/579772986.db2.gz NUXQXMKFYXLKPL-GOEBONIOSA-N 1 2 330.384 0.569 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21 ZINC000741732748 579776718 /nfs/dbraw/zinc/77/67/18/579776718.db2.gz JMQAHSXFDIBBLW-HNNXBMFYSA-N 1 2 347.440 0.581 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21 ZINC000741732748 579776719 /nfs/dbraw/zinc/77/67/19/579776719.db2.gz JMQAHSXFDIBBLW-HNNXBMFYSA-N 1 2 347.440 0.581 20 30 ECEDLO C[C@@H](CC(=O)NCc1[nH]cc[nH+]1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742661775 579790464 /nfs/dbraw/zinc/79/04/64/579790464.db2.gz DZIMJUNMOIQDQZ-JTQLQIEISA-N 1 2 347.400 0.543 20 30 ECEDLO N#CCOc1ccc(C=NNC(=S)NCC[NH+]2CCOCC2)cc1 ZINC000744700726 579812959 /nfs/dbraw/zinc/81/29/59/579812959.db2.gz QLQMUKWYCDDUTG-UHFFFAOYSA-N 1 2 347.444 0.719 20 30 ECEDLO Cn1ncnc1CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000748097165 579856594 /nfs/dbraw/zinc/85/65/94/579856594.db2.gz DNFHWGHTNCJCCO-UHFFFAOYSA-N 1 2 330.392 0.484 20 30 ECEDLO N#Cc1cc(F)cc(S(=O)(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000867156438 588923233 /nfs/dbraw/zinc/92/32/33/588923233.db2.gz QQXBJXPVRKRNEH-UHFFFAOYSA-N 1 2 327.381 0.698 20 30 ECEDLO N#Cc1cc(F)cc(S(=O)(=O)NCC[N@H+]2CCCOCC2)c1 ZINC000867156438 588923235 /nfs/dbraw/zinc/92/32/35/588923235.db2.gz QQXBJXPVRKRNEH-UHFFFAOYSA-N 1 2 327.381 0.698 20 30 ECEDLO N#CC1(COC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CCC1 ZINC000837691047 588958621 /nfs/dbraw/zinc/95/86/21/588958621.db2.gz RCLFUASEAILVBX-OAHLLOKOSA-N 1 2 349.431 0.937 20 30 ECEDLO C=CCN(CC=C)C(=O)C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000867278899 589002390 /nfs/dbraw/zinc/00/23/90/589002390.db2.gz LCMOZXRBXKOEMV-UHFFFAOYSA-N 1 2 334.464 0.425 20 30 ECEDLO O=C(NCC#C[C@H]1CCCCO1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000891109190 586082975 /nfs/dbraw/zinc/08/29/75/586082975.db2.gz GJUGAROURJSOAE-ZACQAIPSSA-N 1 2 336.432 0.555 20 30 ECEDLO C#CC1(O)CN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000891506084 586172285 /nfs/dbraw/zinc/17/22/85/586172285.db2.gz VRZAVJWRURANGH-INIZCTEOSA-N 1 2 329.400 0.277 20 30 ECEDLO C#CC1(O)CN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000891506084 586172287 /nfs/dbraw/zinc/17/22/87/586172287.db2.gz VRZAVJWRURANGH-INIZCTEOSA-N 1 2 329.400 0.277 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(CC(C)C)nn2C)C1 ZINC000891607831 586181023 /nfs/dbraw/zinc/18/10/23/586181023.db2.gz WNQZVVWRUGJQQY-CQSZACIVSA-N 1 2 345.447 0.771 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(CC(C)C)nn2C)C1 ZINC000891607831 586181024 /nfs/dbraw/zinc/18/10/24/586181024.db2.gz WNQZVVWRUGJQQY-CQSZACIVSA-N 1 2 345.447 0.771 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC)C1 ZINC000891605355 586181654 /nfs/dbraw/zinc/18/16/54/586181654.db2.gz CXIVLMUJLNWIIP-AWEZNQCLSA-N 1 2 340.383 0.719 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC)C1 ZINC000891605355 586181656 /nfs/dbraw/zinc/18/16/56/586181656.db2.gz CXIVLMUJLNWIIP-AWEZNQCLSA-N 1 2 340.383 0.719 20 30 ECEDLO N#Cc1cnc(Cl)c(C[NH+]2CCC(O)(COCCO)CC2)c1 ZINC000895829563 586208278 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ECEDLO C=CCOC[C@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C(=O)OC ZINC000897632636 586353401 /nfs/dbraw/zinc/35/34/01/586353401.db2.gz SAQRFEZBJYHDSQ-UONOGXRCSA-N 1 2 336.392 0.650 20 30 ECEDLO C=CCOC[C@H](NC(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1)C(=O)OC ZINC000897632636 586353403 /nfs/dbraw/zinc/35/34/03/586353403.db2.gz SAQRFEZBJYHDSQ-UONOGXRCSA-N 1 2 336.392 0.650 20 30 ECEDLO C=CCOC[C@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1)C(=O)OC ZINC000897632636 586353405 /nfs/dbraw/zinc/35/34/05/586353405.db2.gz SAQRFEZBJYHDSQ-UONOGXRCSA-N 1 2 336.392 0.650 20 30 ECEDLO C=CCOC[C@H]([NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1)C(=O)OC ZINC000894194136 586378707 /nfs/dbraw/zinc/37/87/07/586378707.db2.gz KCGQVQPCROKVBX-OCCSQVGLSA-N 1 2 348.465 0.380 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=C1CC[C@@H]2COCC[C@H]2C1 ZINC000901130780 586696885 /nfs/dbraw/zinc/69/68/85/586696885.db2.gz VVPWFBVRZCZESD-UONOGXRCSA-N 1 2 340.493 0.975 20 30 ECEDLO C=CCN(C)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000867324931 589061363 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CCCC[C@@H](ON=C(C)C)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000758385502 586897545 /nfs/dbraw/zinc/89/75/45/586897545.db2.gz SIGZGUOCATVJGX-CQSZACIVSA-N 1 2 326.441 0.896 20 30 ECEDLO CCCC[C@@H](ON=C(C)C)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000758385502 586897547 /nfs/dbraw/zinc/89/75/47/586897547.db2.gz SIGZGUOCATVJGX-CQSZACIVSA-N 1 2 326.441 0.896 20 30 ECEDLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000805479856 586911527 /nfs/dbraw/zinc/91/15/27/586911527.db2.gz VZVXFGFIMVONCA-CVEARBPZSA-N 1 2 343.383 0.927 20 30 ECEDLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000805479856 586911530 /nfs/dbraw/zinc/91/15/30/586911530.db2.gz VZVXFGFIMVONCA-CVEARBPZSA-N 1 2 343.383 0.927 20 30 ECEDLO C=CC[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)C(=O)OC ZINC000905759908 586914028 /nfs/dbraw/zinc/91/40/28/586914028.db2.gz PZGDDJSYHVMWJG-LLVKDONJSA-N 1 2 340.392 0.958 20 30 ECEDLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000906833502 586986066 /nfs/dbraw/zinc/98/60/66/586986066.db2.gz QNDDAZKLPVGHJX-AWEZNQCLSA-N 1 2 338.433 0.588 20 30 ECEDLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000906833502 586986069 /nfs/dbraw/zinc/98/60/69/586986069.db2.gz QNDDAZKLPVGHJX-AWEZNQCLSA-N 1 2 338.433 0.588 20 30 ECEDLO CC(C)[C@@H](CNS(=O)(=O)c1ccc(C#N)cn1)[NH+]1CCOCC1 ZINC000906820374 586987827 /nfs/dbraw/zinc/98/78/27/586987827.db2.gz MRYDYGIVVZBISJ-CQSZACIVSA-N 1 2 338.433 0.588 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccn3)n2CCOC)CC1 ZINC000802445690 587019088 /nfs/dbraw/zinc/01/90/88/587019088.db2.gz UPCHJKCBXVGBGB-UHFFFAOYSA-N 1 2 326.404 0.742 20 30 ECEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(C#N)cn1 ZINC000807155313 587120283 /nfs/dbraw/zinc/12/02/83/587120283.db2.gz GBCFVJILAKKBCX-CJNGLKHVSA-N 1 2 329.404 0.958 20 30 ECEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000807283967 587124348 /nfs/dbraw/zinc/12/43/48/587124348.db2.gz MNBMNQTUIGKBQM-SWLSCSKDSA-N 1 2 342.355 0.880 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)[C@@H]1CCCO1 ZINC000809312715 587175092 /nfs/dbraw/zinc/17/50/92/587175092.db2.gz NVFMLUPZSUCTSB-RDBSUJKOSA-N 1 2 330.388 0.033 20 30 ECEDLO O=C(NCCNC(=O)C1N=CC=CC1=O)Nc1ccn2cc[nH+]c2c1 ZINC000810227125 587191753 /nfs/dbraw/zinc/19/17/53/587191753.db2.gz RVHBYMTUFHVMFR-CCEZHUSRSA-N 1 2 340.343 0.982 20 30 ECEDLO Cn1c(N)[nH+]c(Cl)c1CN=Nc1nccc(N2CCOCC2)n1 ZINC000814871577 587279819 /nfs/dbraw/zinc/27/98/19/587279819.db2.gz VJXRWBUOOIGHDN-UHFFFAOYSA-N 1 2 336.787 0.728 20 30 ECEDLO C#CCCOc1ccc(C(=O)N[C@H](CO)C[NH+]2CCOCC2)cc1 ZINC000820014460 587503093 /nfs/dbraw/zinc/50/30/93/587503093.db2.gz AGUZWAYNJAHBQP-INIZCTEOSA-N 1 2 332.400 0.512 20 30 ECEDLO O=C(N[C@@H]1CCN(O)C1=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000820128339 587511310 /nfs/dbraw/zinc/51/13/10/587511310.db2.gz XCYZMJQQTYSCLO-CQSZACIVSA-N 1 2 329.360 0.715 20 30 ECEDLO C#CCCCOc1ccc[nH+]c1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000820671035 587548576 /nfs/dbraw/zinc/54/85/76/587548576.db2.gz 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ZINC000826766622 588082577 /nfs/dbraw/zinc/08/25/77/588082577.db2.gz SITSIXOTPAWUQL-UHFFFAOYSA-N 1 2 343.387 0.592 20 30 ECEDLO COc1cc(C#N)ccc1C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000827915766 588146638 /nfs/dbraw/zinc/14/66/38/588146638.db2.gz HJAGYQSRAHFOHC-OAHLLOKOSA-N 1 2 345.399 0.740 20 30 ECEDLO C#CC[C@H]1CCC[N@@H+](CC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000829769652 588340591 /nfs/dbraw/zinc/34/05/91/588340591.db2.gz YOPPCSNQDBVZPA-LSDHHAIUSA-N 1 2 326.462 0.757 20 30 ECEDLO C#CC[C@H]1CCC[N@H+](CC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000829769652 588340593 /nfs/dbraw/zinc/34/05/93/588340593.db2.gz YOPPCSNQDBVZPA-LSDHHAIUSA-N 1 2 326.462 0.757 20 30 ECEDLO C#CC1CC[NH+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)CC1 ZINC000830333901 588368803 /nfs/dbraw/zinc/36/88/03/588368803.db2.gz NXDFKZCYUHUPGR-UHFFFAOYSA-N 1 2 346.431 0.313 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000830820714 588387924 /nfs/dbraw/zinc/38/79/24/588387924.db2.gz GXVITPKCFVKOTE-FZMZJTMJSA-N 1 2 331.338 0.754 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000830820714 588387926 /nfs/dbraw/zinc/38/79/26/588387926.db2.gz GXVITPKCFVKOTE-FZMZJTMJSA-N 1 2 331.338 0.754 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](OC)C(F)(F)F)CC1 ZINC000845443348 589150334 /nfs/dbraw/zinc/15/03/34/589150334.db2.gz WYEGCUPWPSWPID-GFCCVEGCSA-N 1 2 349.353 0.238 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](OC)C(F)(F)F)CC1 ZINC000845443348 589150336 /nfs/dbraw/zinc/15/03/36/589150336.db2.gz WYEGCUPWPSWPID-GFCCVEGCSA-N 1 2 349.353 0.238 20 30 ECEDLO N#Cc1cccnc1-n1cc(NC(=O)/C=C\C[NH+]2CCOCC2)cn1 ZINC000867424651 589203361 /nfs/dbraw/zinc/20/33/61/589203361.db2.gz QYBHUAZHOSQPNN-RQOWECAXSA-N 1 2 338.371 0.966 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(C)c(OC)c2)CC1 ZINC000846837869 589226218 /nfs/dbraw/zinc/22/62/18/589226218.db2.gz RGOUQRYNLNDARQ-UHFFFAOYSA-N 1 2 337.445 0.589 20 30 ECEDLO C#C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000847026654 589233149 /nfs/dbraw/zinc/23/31/49/589233149.db2.gz GIVVTZOOWBCLGE-KFWWJZLASA-N 1 2 326.462 0.756 20 30 ECEDLO C#C[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000847026654 589233151 /nfs/dbraw/zinc/23/31/51/589233151.db2.gz GIVVTZOOWBCLGE-KFWWJZLASA-N 1 2 326.462 0.756 20 30 ECEDLO C#C[C@H]1CCCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000847314195 589241447 /nfs/dbraw/zinc/24/14/47/589241447.db2.gz JYVRWFJPKZRLBE-AWEZNQCLSA-N 1 2 341.477 0.550 20 30 ECEDLO C#C[C@@H]1CCC[N@@H+](CN2C(=O)N[C@](CC)(c3cnn(C)c3)C2=O)C1 ZINC000848494104 589298349 /nfs/dbraw/zinc/29/83/49/589298349.db2.gz UWXNBLKRDYCSBM-CXAGYDPISA-N 1 2 329.404 0.880 20 30 ECEDLO C#C[C@@H]1CCC[N@H+](CN2C(=O)N[C@](CC)(c3cnn(C)c3)C2=O)C1 ZINC000848494104 589298351 /nfs/dbraw/zinc/29/83/51/589298351.db2.gz UWXNBLKRDYCSBM-CXAGYDPISA-N 1 2 329.404 0.880 20 30 ECEDLO C#CCCN(CCOC)C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000850726093 589382166 /nfs/dbraw/zinc/38/21/66/589382166.db2.gz VJGRQDZOMKAALM-UHFFFAOYSA-N 1 2 341.371 0.704 20 30 ECEDLO C[C@H]1C[N@H+](CCNc2cccc(S(N)(=O)=O)c2C#N)[C@@H](C)CO1 ZINC000853800924 589559462 /nfs/dbraw/zinc/55/94/62/589559462.db2.gz ZOTOYIYHOZOLKW-RYUDHWBXSA-N 1 2 338.433 0.727 20 30 ECEDLO C[C@H]1C[N@@H+](CCNc2cccc(S(N)(=O)=O)c2C#N)[C@@H](C)CO1 ZINC000853800924 589559464 /nfs/dbraw/zinc/55/94/64/589559464.db2.gz ZOTOYIYHOZOLKW-RYUDHWBXSA-N 1 2 338.433 0.727 20 30 ECEDLO C=CCNS(=O)(=O)c1cc(C(=O)NCc2[nH]cc[nH+]2)ccc1F ZINC000114339372 589666271 /nfs/dbraw/zinc/66/62/71/589666271.db2.gz SYZGEEXDZALEDS-UHFFFAOYSA-N 1 2 338.364 0.943 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2(COC)CCCCC2)CC1 ZINC000857117849 589687282 /nfs/dbraw/zinc/68/72/82/589687282.db2.gz VKQJYKUOOMWPSC-UHFFFAOYSA-N 1 2 349.475 0.867 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(COC)CCCCC2)CC1 ZINC000857117849 589687283 /nfs/dbraw/zinc/68/72/83/589687283.db2.gz VKQJYKUOOMWPSC-UHFFFAOYSA-N 1 2 349.475 0.867 20 30 ECEDLO CN(CCc1cccc(C#N)c1)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000867697546 589826620 /nfs/dbraw/zinc/82/66/20/589826620.db2.gz IUUAYTDAKYCKJL-MRXNPFEDSA-N 1 2 337.445 0.693 20 30 ECEDLO CN(CCc1cccc(C#N)c1)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000867697546 589826622 /nfs/dbraw/zinc/82/66/22/589826622.db2.gz IUUAYTDAKYCKJL-MRXNPFEDSA-N 1 2 337.445 0.693 20 30 ECEDLO N#Cc1cc(C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)ccc1F ZINC000870063344 589994785 /nfs/dbraw/zinc/99/47/85/589994785.db2.gz YAYHQRURIPLGDM-HNNXBMFYSA-N 1 2 333.363 0.871 20 30 ECEDLO COC(=O)[C@]1(OC)CC[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000863296064 589999624 /nfs/dbraw/zinc/99/96/24/589999624.db2.gz BWAHZOVBUONMQT-KRWDZBQOSA-N 1 2 331.372 0.430 20 30 ECEDLO COC(=O)[C@]1(OC)CC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000863296064 589999625 /nfs/dbraw/zinc/99/96/25/589999625.db2.gz BWAHZOVBUONMQT-KRWDZBQOSA-N 1 2 331.372 0.430 20 30 ECEDLO C#CCN1C(=O)C[C@@H]([NH+]2CCC(c3cc(C(=O)OC)on3)CC2)C1=O ZINC000864352701 590077426 /nfs/dbraw/zinc/07/74/26/590077426.db2.gz YTKKWRQBSDLMCE-CYBMUJFWSA-N 1 2 345.355 0.401 20 30 ECEDLO N#C[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000864640835 590090202 /nfs/dbraw/zinc/09/02/02/590090202.db2.gz ZWPQJZXDRPTFMM-HOTGVXAUSA-N 1 2 325.372 0.852 20 30 ECEDLO Cc1ccn(C[C@H](C)C(=O)N(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000865069313 590123166 /nfs/dbraw/zinc/12/31/66/590123166.db2.gz DBZMASDIFLSCRU-HNNXBMFYSA-N 1 2 333.436 0.902 20 30 ECEDLO Nc1nc(Cl)c(C=[NH+]N2CCOCC2)c(N2CCOCC2)n1 ZINC000873867581 590207441 /nfs/dbraw/zinc/20/74/41/590207441.db2.gz KSIYAIMTWWGMJD-UHFFFAOYSA-N 1 2 326.788 0.215 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)N1CCN(C)c2[nH+]cccc2C1)[C@H]1CCCO1 ZINC000875323059 590292884 /nfs/dbraw/zinc/29/28/84/590292884.db2.gz FPCNFAFGZGKEKE-HUUCEWRRSA-N 1 2 342.399 0.157 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000875599739 590312955 /nfs/dbraw/zinc/31/29/55/590312955.db2.gz MCLKPLKBZFVYIV-KBPBESRZSA-N 1 2 332.404 0.660 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000875602828 590314056 /nfs/dbraw/zinc/31/40/56/590314056.db2.gz MSNPCZAQTJELTK-KBPBESRZSA-N 1 2 332.404 0.281 20 30 ECEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC000879929632 590351325 /nfs/dbraw/zinc/35/13/25/590351325.db2.gz JRBRITHKMMNCHD-CVEARBPZSA-N 1 2 347.440 0.541 20 30 ECEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC000879929632 590351327 /nfs/dbraw/zinc/35/13/27/590351327.db2.gz JRBRITHKMMNCHD-CVEARBPZSA-N 1 2 347.440 0.541 20 30 ECEDLO C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000876555719 590386269 /nfs/dbraw/zinc/38/62/69/590386269.db2.gz DRRFVWXFKDHFGJ-LBPRGKRZSA-N 1 2 330.388 0.361 20 30 ECEDLO C#CCC1(O)CC[NH+](CC(=O)NC(=O)c2ccc(OC)cc2)CC1 ZINC000880481864 590395350 /nfs/dbraw/zinc/39/53/50/590395350.db2.gz QYDHEKKCZZZNGE-UHFFFAOYSA-N 1 2 330.384 0.802 20 30 ECEDLO CCOC(=O)C1CC[NH+](Cc2cn(CCO[C@H](C)C#N)nn2)CC1 ZINC000881323795 590446832 /nfs/dbraw/zinc/44/68/32/590446832.db2.gz PZEQZUXSVAOJMT-CYBMUJFWSA-N 1 2 335.408 0.982 20 30 ECEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(CC(=O)NCCC#N)CC2)C1 ZINC000024541038 590446924 /nfs/dbraw/zinc/44/69/24/590446924.db2.gz GCUOLYULNIIWBO-HOTGVXAUSA-N 1 2 349.479 0.138 20 30 ECEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000878505890 590525292 /nfs/dbraw/zinc/52/52/92/590525292.db2.gz VSOJFXJADHFUJW-KBPBESRZSA-N 1 2 348.465 0.477 20 30 ECEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000878505890 590525294 /nfs/dbraw/zinc/52/52/94/590525294.db2.gz VSOJFXJADHFUJW-KBPBESRZSA-N 1 2 348.465 0.477 20 30 ECEDLO C#CCCCCC[NH+]1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 ZINC000878681174 590535308 /nfs/dbraw/zinc/53/53/08/590535308.db2.gz HXKIVGGCEZHLIM-UHFFFAOYSA-N 1 2 335.495 0.770 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2CCC(C)(C)CO2)CC1 ZINC000878737133 590539078 /nfs/dbraw/zinc/53/90/78/590539078.db2.gz FGDFYSKGKXJHHW-INIZCTEOSA-N 1 2 349.475 0.865 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2CCC(C)(C)CO2)CC1 ZINC000878737133 590539080 /nfs/dbraw/zinc/53/90/80/590539080.db2.gz FGDFYSKGKXJHHW-INIZCTEOSA-N 1 2 349.475 0.865 20 30 ECEDLO C=C(C)C[C@H](CO)NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000878850560 590547190 /nfs/dbraw/zinc/54/71/90/590547190.db2.gz ZLXSWVLRFAXKEN-CQSZACIVSA-N 1 2 337.424 0.664 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000800073340 590709764 /nfs/dbraw/zinc/70/97/64/590709764.db2.gz QPJWVEVABOKHTR-LBPRGKRZSA-N 1 2 345.494 0.576 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)cnc3c2)C1 ZINC000885508852 590728757 /nfs/dbraw/zinc/72/87/57/590728757.db2.gz MUZAUFGKAMPLAJ-GFCCVEGCSA-N 1 2 346.412 0.299 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)cnc3c2)C1 ZINC000885508852 590728759 /nfs/dbraw/zinc/72/87/59/590728759.db2.gz MUZAUFGKAMPLAJ-GFCCVEGCSA-N 1 2 346.412 0.299 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1CCN(CC(F)(F)F)CC1 ZINC000884185403 590765711 /nfs/dbraw/zinc/76/57/11/590765711.db2.gz VKBPBXNSGDAFSU-NSHDSACASA-N 1 2 337.342 0.576 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000884192713 590769340 /nfs/dbraw/zinc/76/93/40/590769340.db2.gz MPPRCBQJJLKYDR-MNOVXSKESA-N 1 2 337.342 0.433 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(CC(F)F)[C@@H](CC)C1 ZINC000884319428 590803560 /nfs/dbraw/zinc/80/35/60/590803560.db2.gz VFCQVEIHMVVPKE-RYUDHWBXSA-N 1 2 333.379 0.621 20 30 ECEDLO CCCCCC[N@H+](C)CC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000886203703 590812052 /nfs/dbraw/zinc/81/20/52/590812052.db2.gz CRVYHXMKRXWRCX-GDBMZVCRSA-N 1 2 341.477 0.895 20 30 ECEDLO CCCCCC[N@@H+](C)CC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000886203703 590812055 /nfs/dbraw/zinc/81/20/55/590812055.db2.gz CRVYHXMKRXWRCX-GDBMZVCRSA-N 1 2 341.477 0.895 20 30 ECEDLO C=CCC[C@@H](O)C[N@H+]1CCOC[C@]1(CO)CNC(=O)OC(C)(C)C ZINC000886292591 590826598 /nfs/dbraw/zinc/82/65/98/590826598.db2.gz RWMXGSXLBQJNEX-RHSMWYFYSA-N 1 2 344.452 0.902 20 30 ECEDLO C=CCC[C@@H](O)C[N@@H+]1CCOC[C@]1(CO)CNC(=O)OC(C)(C)C ZINC000886292591 590826601 /nfs/dbraw/zinc/82/66/01/590826601.db2.gz RWMXGSXLBQJNEX-RHSMWYFYSA-N 1 2 344.452 0.902 20 30 ECEDLO C=CCC1(O)CC[NH+](CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)CC1 ZINC000884478751 590839344 /nfs/dbraw/zinc/83/93/44/590839344.db2.gz LIMXZIYHXJOEEY-HNNXBMFYSA-N 1 2 346.431 0.698 20 30 ECEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@H](O)C[C@@]3(O)CCOC3)CCO2)c1 ZINC000930135863 611393558 /nfs/dbraw/zinc/39/35/58/611393558.db2.gz PUNXDUXCSZOOHG-SQNIBIBYSA-N 1 2 332.400 0.834 20 30 ECEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H](O)C[C@@]3(O)CCOC3)CCO2)c1 ZINC000930135863 611393560 /nfs/dbraw/zinc/39/35/60/611393560.db2.gz PUNXDUXCSZOOHG-SQNIBIBYSA-N 1 2 332.400 0.834 20 30 ECEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@H](O)C3(O)CCOCC3)CCO2)c1 ZINC000930133612 611393859 /nfs/dbraw/zinc/39/38/59/611393859.db2.gz ANHFGHHTOJXJLN-SJORKVTESA-N 1 2 332.400 0.834 20 30 ECEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@H](O)C3(O)CCOCC3)CCO2)c1 ZINC000930133612 611393863 /nfs/dbraw/zinc/39/38/63/611393863.db2.gz ANHFGHHTOJXJLN-SJORKVTESA-N 1 2 332.400 0.834 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1nncn1C ZINC000947175549 611450489 /nfs/dbraw/zinc/45/04/89/611450489.db2.gz SIBBJQQKHPQCBK-WCQYABFASA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1Cc1nncn1C ZINC000947175549 611450493 /nfs/dbraw/zinc/45/04/93/611450493.db2.gz SIBBJQQKHPQCBK-WCQYABFASA-N 1 2 327.392 0.798 20 30 ECEDLO C#C[C@@H]1CCC[N@@H+](CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)C1 ZINC000930884271 611480033 /nfs/dbraw/zinc/48/00/33/611480033.db2.gz BPJPJEXHFXRRST-GFCCVEGCSA-N 1 2 333.354 0.811 20 30 ECEDLO C#C[C@@H]1CCC[N@H+](CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)C1 ZINC000930884271 611480036 /nfs/dbraw/zinc/48/00/36/611480036.db2.gz BPJPJEXHFXRRST-GFCCVEGCSA-N 1 2 333.354 0.811 20 30 ECEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000925585106 611488373 /nfs/dbraw/zinc/48/83/73/611488373.db2.gz MUKPTHOBIAWXNJ-GDBMZVCRSA-N 1 2 335.452 0.479 20 30 ECEDLO C#CC1(O)CC[NH+]([C@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000931147206 611511573 /nfs/dbraw/zinc/51/15/73/611511573.db2.gz WQICSIKOGIFJFK-CYBMUJFWSA-N 1 2 327.384 0.820 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cn4c(n3)CCC4)CC2)C1 ZINC000949369726 608656255 /nfs/dbraw/zinc/65/62/55/608656255.db2.gz AUQZWIMHJYKZHK-UHFFFAOYSA-N 1 2 328.416 0.770 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cn4c(n3)CCC4)CC2)C1 ZINC000949369726 608656256 /nfs/dbraw/zinc/65/62/56/608656256.db2.gz AUQZWIMHJYKZHK-UHFFFAOYSA-N 1 2 328.416 0.770 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCOC3(CCN(C(=O)C(N)=O)CC3)C2)s1 ZINC000949458961 608688148 /nfs/dbraw/zinc/68/81/48/608688148.db2.gz YSZVPUQQGLYPEY-UHFFFAOYSA-N 1 2 348.428 0.298 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCOC3(CCN(C(=O)C(N)=O)CC3)C2)s1 ZINC000949458961 608688154 /nfs/dbraw/zinc/68/81/54/608688154.db2.gz YSZVPUQQGLYPEY-UHFFFAOYSA-N 1 2 348.428 0.298 20 30 ECEDLO CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H](C)S(C)(=O)=O)CCO2 ZINC000949121104 609064299 /nfs/dbraw/zinc/06/42/99/609064299.db2.gz SCNJTIWHAIYCCF-AWEZNQCLSA-N 1 2 342.461 0.136 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C)n[nH]2)C[C@H]1C ZINC000947772755 611683665 /nfs/dbraw/zinc/68/36/65/611683665.db2.gz PQEKTCRMOLRPFL-WQVCFCJDSA-N 1 2 343.431 0.392 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C)n[nH]2)C[C@H]1C ZINC000947772755 611683667 /nfs/dbraw/zinc/68/36/67/611683667.db2.gz PQEKTCRMOLRPFL-WQVCFCJDSA-N 1 2 343.431 0.392 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C)[nH]n2)C[C@H]1C ZINC000947772755 611683669 /nfs/dbraw/zinc/68/36/69/611683669.db2.gz PQEKTCRMOLRPFL-WQVCFCJDSA-N 1 2 343.431 0.392 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C)[nH]n2)C[C@H]1C ZINC000947772755 611683671 /nfs/dbraw/zinc/68/36/71/611683671.db2.gz PQEKTCRMOLRPFL-WQVCFCJDSA-N 1 2 343.431 0.392 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000937797849 609090215 /nfs/dbraw/zinc/09/02/15/609090215.db2.gz CEKAHYOVRLMXIH-AAEUAGOBSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000937797849 609090219 /nfs/dbraw/zinc/09/02/19/609090219.db2.gz CEKAHYOVRLMXIH-AAEUAGOBSA-N 1 2 340.387 0.819 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cnn(C)n3)[C@H](C)C2)nn1 ZINC000947792853 611693099 /nfs/dbraw/zinc/69/30/99/611693099.db2.gz UEQRSLOUERHZOD-CHWSQXEVSA-N 1 2 344.423 0.376 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnn(C)n3)[C@H](C)C2)nn1 ZINC000947792853 611693100 /nfs/dbraw/zinc/69/31/00/611693100.db2.gz UEQRSLOUERHZOD-CHWSQXEVSA-N 1 2 344.423 0.376 20 30 ECEDLO C[NH+](C)CC#CCNC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000913515934 609684531 /nfs/dbraw/zinc/68/45/31/609684531.db2.gz UCOIZCSTVNXTFG-UHFFFAOYSA-N 1 2 328.821 0.795 20 30 ECEDLO C[N@@H+]1CCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C[C@H]1CO ZINC000913551090 609692787 /nfs/dbraw/zinc/69/27/87/609692787.db2.gz IDUBNZTWTAINEB-DLBZAZTESA-N 1 2 328.416 0.662 20 30 ECEDLO C[N@H+]1CCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C[C@H]1CO ZINC000913551090 609692789 /nfs/dbraw/zinc/69/27/89/609692789.db2.gz IDUBNZTWTAINEB-DLBZAZTESA-N 1 2 328.416 0.662 20 30 ECEDLO C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@@H]1C ZINC000947825427 611709176 /nfs/dbraw/zinc/70/91/76/611709176.db2.gz QAXAETIVLHOEGQ-QWHCGFSZSA-N 1 2 342.403 0.064 20 30 ECEDLO C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@@H]1C ZINC000947825427 611709177 /nfs/dbraw/zinc/70/91/77/611709177.db2.gz QAXAETIVLHOEGQ-QWHCGFSZSA-N 1 2 342.403 0.064 20 30 ECEDLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)Cc1csc(C#N)c1 ZINC000914092245 609851716 /nfs/dbraw/zinc/85/17/16/609851716.db2.gz DNZHHOCXXGKCMJ-GFCCVEGCSA-N 1 2 328.463 0.285 20 30 ECEDLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)Cc1csc(C#N)c1 ZINC000914092245 609851717 /nfs/dbraw/zinc/85/17/17/609851717.db2.gz DNZHHOCXXGKCMJ-GFCCVEGCSA-N 1 2 328.463 0.285 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)Cc2csc(C#N)c2)CC[N@@H+]1CCO ZINC000914400132 609884319 /nfs/dbraw/zinc/88/43/19/609884319.db2.gz CMBXYHKEROEYRM-NSHDSACASA-N 1 2 329.447 0.448 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)Cc2csc(C#N)c2)CC[N@H+]1CCO ZINC000914400132 609884320 /nfs/dbraw/zinc/88/43/20/609884320.db2.gz CMBXYHKEROEYRM-NSHDSACASA-N 1 2 329.447 0.448 20 30 ECEDLO N#CC[C@@]1(O)CCN(C(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000911526508 609891628 /nfs/dbraw/zinc/89/16/28/609891628.db2.gz INMLFVRUYYBLSE-QGZVFWFLSA-N 1 2 332.404 0.311 20 30 ECEDLO N#CCCc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000917066677 609960916 /nfs/dbraw/zinc/96/09/16/609960916.db2.gz OPCRYSJSGOHSIX-INIZCTEOSA-N 1 2 348.472 0.811 20 30 ECEDLO N#CCCc1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000917066677 609960918 /nfs/dbraw/zinc/96/09/18/609960918.db2.gz OPCRYSJSGOHSIX-INIZCTEOSA-N 1 2 348.472 0.811 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2coc(CN3CC[C@H](O)C3)n2)C1 ZINC000923599083 609964086 /nfs/dbraw/zinc/96/40/86/609964086.db2.gz ZSRBWFBTDLKNGE-KBPBESRZSA-N 1 2 332.404 0.069 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2coc(CN3CC[C@H](O)C3)n2)C1 ZINC000923599083 609964087 /nfs/dbraw/zinc/96/40/87/609964087.db2.gz ZSRBWFBTDLKNGE-KBPBESRZSA-N 1 2 332.404 0.069 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnsn3)C2)nn1 ZINC000939278342 610146998 /nfs/dbraw/zinc/14/69/98/610146998.db2.gz ZCAXYENEGHPOBK-ZYHUDNBSSA-N 1 2 333.421 0.566 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000939304869 610156533 /nfs/dbraw/zinc/15/65/33/610156533.db2.gz ZQJCKBDGYQFMQZ-CYBMUJFWSA-N 1 2 326.360 0.525 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3cnn4ccccc34)CC2)C1 ZINC000941440218 610316301 /nfs/dbraw/zinc/31/63/01/610316301.db2.gz DDGBHMFGLOLIRX-UHFFFAOYSA-N 1 2 337.427 0.338 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(C(C)(C)C)n[nH]3)CC2)C1 ZINC000941471277 610330046 /nfs/dbraw/zinc/33/00/46/610330046.db2.gz VDJUVGVGQVWHDC-UHFFFAOYSA-N 1 2 329.448 0.782 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC000941494595 610339310 /nfs/dbraw/zinc/33/93/10/610339310.db2.gz PVCFLUIERSPTHZ-WKULXVSPSA-N 1 2 329.444 0.262 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CC[C@@H](C4CC4)O3)CC2)C1 ZINC000941499321 610344270 /nfs/dbraw/zinc/34/42/70/610344270.db2.gz SHDIYDJSKCSNPW-ROUUACIJSA-N 1 2 331.460 0.796 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000940720409 610345844 /nfs/dbraw/zinc/34/58/44/610345844.db2.gz RXZAJTVYPREVHB-VYDXJSESSA-N 1 2 346.431 0.972 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c(C)nn(C)c3C)CC2)C1 ZINC000941505388 610347674 /nfs/dbraw/zinc/34/76/74/610347674.db2.gz SRRRJYOOYZWECA-UHFFFAOYSA-N 1 2 329.448 0.502 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnc4c(c3)ncn4C)CC2)C1 ZINC000941513709 610352685 /nfs/dbraw/zinc/35/26/85/610352685.db2.gz OHSJERVXIOJUER-UHFFFAOYSA-N 1 2 338.415 0.044 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000941592224 610388319 /nfs/dbraw/zinc/38/83/19/610388319.db2.gz DPFFIIFDMRQENK-CHWSQXEVSA-N 1 2 338.371 0.758 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCN(C3C[NH+](CC#CC)C3)CC2)nn1 ZINC000941601195 610401536 /nfs/dbraw/zinc/40/15/36/610401536.db2.gz KNVVIMCCRVBFEX-UHFFFAOYSA-N 1 2 342.447 0.320 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc4nccn4c3)CC2)C1 ZINC000941634039 610419607 /nfs/dbraw/zinc/41/96/07/610419607.db2.gz CMYFHSZNZPLVAC-UHFFFAOYSA-N 1 2 337.427 0.800 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000940872941 610421000 /nfs/dbraw/zinc/42/10/00/610421000.db2.gz HHFDKEPXCKEGKZ-ZIAGYGMSSA-N 1 2 326.462 0.661 20 30 ECEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000940872941 610421003 /nfs/dbraw/zinc/42/10/03/610421003.db2.gz HHFDKEPXCKEGKZ-ZIAGYGMSSA-N 1 2 326.462 0.661 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc(N(C)C)nn3)CC2)C1 ZINC000941643175 610436726 /nfs/dbraw/zinc/43/67/26/610436726.db2.gz RTYSQDIYMAKUFZ-UHFFFAOYSA-N 1 2 342.447 0.008 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCc3cscn3)CC2)C1 ZINC000941682490 610461764 /nfs/dbraw/zinc/46/17/64/610461764.db2.gz VPHYOMQDXQAISM-UHFFFAOYSA-N 1 2 332.473 0.927 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2nncn2C)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941929786 610567716 /nfs/dbraw/zinc/56/77/16/610567716.db2.gz PCVCXSCLQZUURC-YPMHNXCESA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2nncn2C)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941929786 610567718 /nfs/dbraw/zinc/56/77/18/610567718.db2.gz PCVCXSCLQZUURC-YPMHNXCESA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2cnn(C)n2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941965572 610587611 /nfs/dbraw/zinc/58/76/11/610587611.db2.gz ZBXVURYJODYLML-IAQYHMDHSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2cnn(C)n2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941965572 610587614 /nfs/dbraw/zinc/58/76/14/610587614.db2.gz ZBXVURYJODYLML-IAQYHMDHSA-N 1 2 327.392 0.655 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1 ZINC000941261714 610630351 /nfs/dbraw/zinc/63/03/51/610630351.db2.gz BPSNQKKVUHJFKQ-JHJVBQTASA-N 1 2 338.371 0.744 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1 ZINC000941261714 610630352 /nfs/dbraw/zinc/63/03/52/610630352.db2.gz BPSNQKKVUHJFKQ-JHJVBQTASA-N 1 2 338.371 0.744 20 30 ECEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)C2CCS(=O)(=O)CC2)[C@H](C)C1 ZINC000943229472 610755742 /nfs/dbraw/zinc/75/57/42/610755742.db2.gz CPUZYYOJAKWBJI-HIFRSBDPSA-N 1 2 326.462 0.661 20 30 ECEDLO CC#CC[N@H+]1CC[C@H](NC(=O)C2CCS(=O)(=O)CC2)[C@H](C)C1 ZINC000943229472 610755744 /nfs/dbraw/zinc/75/57/44/610755744.db2.gz CPUZYYOJAKWBJI-HIFRSBDPSA-N 1 2 326.462 0.661 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3nonc3C)C[C@H]2C)nn1 ZINC000943480659 610867880 /nfs/dbraw/zinc/86/78/80/610867880.db2.gz FJNQOJBUFSAJHE-YPMHNXCESA-N 1 2 345.407 0.796 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3nonc3C)C[C@H]2C)nn1 ZINC000943480659 610867882 /nfs/dbraw/zinc/86/78/82/610867882.db2.gz FJNQOJBUFSAJHE-YPMHNXCESA-N 1 2 345.407 0.796 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnon3)C[C@H]2C)nn1 ZINC000943494797 610883065 /nfs/dbraw/zinc/88/30/65/610883065.db2.gz AQZZGPDZPXBVRA-DGCLKSJQSA-N 1 2 331.380 0.488 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cnon3)C[C@H]2C)nn1 ZINC000943494797 610883068 /nfs/dbraw/zinc/88/30/68/610883068.db2.gz AQZZGPDZPXBVRA-DGCLKSJQSA-N 1 2 331.380 0.488 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)CC1 ZINC000945031628 610887799 /nfs/dbraw/zinc/88/77/99/610887799.db2.gz XJHUPMQRMGIFEK-AWEZNQCLSA-N 1 2 343.431 0.963 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2[C@H](CCN2C(=O)Cn2cc[nH+]c2)C1 ZINC000945942614 611162857 /nfs/dbraw/zinc/16/28/57/611162857.db2.gz OHIOZJHLVQTAJA-CVEARBPZSA-N 1 2 326.400 0.746 20 30 ECEDLO N#Cc1ccc([C@@H]2C[N@H+](C[C@H](O)C3(O)CCOCC3)CCO2)cc1 ZINC000933631466 611736510 /nfs/dbraw/zinc/73/65/10/611736510.db2.gz JRNKRBSTKIKENI-IRXDYDNUSA-N 1 2 332.400 0.834 20 30 ECEDLO N#Cc1ccc([C@@H]2C[N@@H+](C[C@H](O)C3(O)CCOCC3)CCO2)cc1 ZINC000933631466 611736511 /nfs/dbraw/zinc/73/65/11/611736511.db2.gz JRNKRBSTKIKENI-IRXDYDNUSA-N 1 2 332.400 0.834 20 30 ECEDLO Cc1ccc(CNC(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1C#N ZINC000929543565 611763453 /nfs/dbraw/zinc/76/34/53/611763453.db2.gz SSHKQVHTMTYVMG-ZDUSSCGKSA-N 1 2 325.372 0.884 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCOC2(CC[NH+](Cc3nncn3C)CC2)C1 ZINC000949052221 611830135 /nfs/dbraw/zinc/83/01/35/611830135.db2.gz ZFTGSESOQSNPRP-ZDUSSCGKSA-N 1 2 332.408 0.168 20 30 ECEDLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000950797745 611911770 /nfs/dbraw/zinc/91/17/70/611911770.db2.gz DTASRSUFAVVETO-BXUZGUMPSA-N 1 2 326.360 0.360 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)Cc3cnccc3OC)CC2)C1 ZINC000949394773 611962937 /nfs/dbraw/zinc/96/29/37/611962937.db2.gz CTPYITZIVZPHJJ-UHFFFAOYSA-N 1 2 343.427 0.959 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)Cc3cnccc3OC)CC2)C1 ZINC000949394773 611962940 /nfs/dbraw/zinc/96/29/40/611962940.db2.gz CTPYITZIVZPHJJ-UHFFFAOYSA-N 1 2 343.427 0.959 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000950320277 611969792 /nfs/dbraw/zinc/96/97/92/611969792.db2.gz QXRKTSOMDJUEBM-ZDUSSCGKSA-N 1 2 340.387 0.583 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000949498270 612008059 /nfs/dbraw/zinc/00/80/59/612008059.db2.gz RHXWLTQCZWVRFN-XHDPSFHLSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000949498270 612008062 /nfs/dbraw/zinc/00/80/62/612008062.db2.gz RHXWLTQCZWVRFN-XHDPSFHLSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1c[nH+]cn1C ZINC000952784987 612100433 /nfs/dbraw/zinc/10/04/33/612100433.db2.gz YKIUXOZOSUDJPF-MCIONIFRSA-N 1 2 329.404 0.714 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000951512719 612287169 /nfs/dbraw/zinc/28/71/69/612287169.db2.gz KNIKANFYXKTQEX-FMKPAKJESA-N 1 2 346.431 0.959 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC000952712579 612620026 /nfs/dbraw/zinc/62/00/26/612620026.db2.gz XZDYHKUNSKVMMA-IYBDPMFKSA-N 1 2 326.400 0.888 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000954073792 612632618 /nfs/dbraw/zinc/63/26/18/612632618.db2.gz UNQOPOLEIHUCED-CHWSQXEVSA-N 1 2 338.371 0.696 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000954073792 612632620 /nfs/dbraw/zinc/63/26/20/612632620.db2.gz UNQOPOLEIHUCED-CHWSQXEVSA-N 1 2 338.371 0.696 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000955627084 612714739 /nfs/dbraw/zinc/71/47/39/612714739.db2.gz JYBUJZGGHAWSBV-NWDGAFQWSA-N 1 2 340.387 0.961 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)Cc3c[nH+]cn3C)C2)cn1 ZINC000954911971 612781145 /nfs/dbraw/zinc/78/11/45/612781145.db2.gz CTMXBXWOSULLEX-UHFFFAOYSA-N 1 2 337.383 0.322 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000955797836 612845234 /nfs/dbraw/zinc/84/52/34/612845234.db2.gz OQBJKFIGVGMTII-DGCLKSJQSA-N 1 2 340.387 0.961 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@H]3CCOC3)CC2)C1 ZINC000956589534 612920143 /nfs/dbraw/zinc/92/01/43/612920143.db2.gz XFKUPNZRSBDQSP-HOTGVXAUSA-N 1 2 349.475 0.980 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)CC3(O)CCC3)CC2)C1 ZINC000956591566 612920860 /nfs/dbraw/zinc/92/08/60/612920860.db2.gz CDJSMRYFZYCBCM-GJZGRUSLSA-N 1 2 348.447 0.196 20 30 ECEDLO CC(C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000956593512 612921213 /nfs/dbraw/zinc/92/12/13/612921213.db2.gz VUWIIVLUVYCRJW-MRXNPFEDSA-N 1 2 343.431 0.901 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CC(C)(F)F)C2)CC1 ZINC000956605728 612924658 /nfs/dbraw/zinc/92/46/58/612924658.db2.gz MGOFHKRQOVQEKI-QWHCGFSZSA-N 1 2 342.390 0.936 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001078037438 782193503 /nfs/dbraw/zinc/19/35/03/782193503.db2.gz UZZYLGHSSQWYHP-MJBXVCDLSA-N 1 2 334.420 0.944 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N(C)[C@@H](C)CNc1[nH+]cnc2c1cnn2C ZINC001104540612 738448114 /nfs/dbraw/zinc/44/81/14/738448114.db2.gz CPMHONIFMJUSSK-ZBEGNZNMSA-N 1 2 332.408 0.949 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2nccc3occc32)[C@@H](n2ccnn2)C1 ZINC001069984970 790278631 /nfs/dbraw/zinc/27/86/31/790278631.db2.gz UTRZJAWYXVVCPC-KGLIPLIRSA-N 1 2 336.355 0.708 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2nccc3occc32)[C@@H](n2ccnn2)C1 ZINC001069984970 790278635 /nfs/dbraw/zinc/27/86/35/790278635.db2.gz UTRZJAWYXVVCPC-KGLIPLIRSA-N 1 2 336.355 0.708 20 30 ECEDLO N#Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2c[nH+]c[nH]2)c[nH]1 ZINC000970146482 732974505 /nfs/dbraw/zinc/97/45/05/732974505.db2.gz NOJZNCNQXKDYEC-GASCZTMLSA-N 1 2 338.371 0.668 20 30 ECEDLO C[C@@H](NC(=O)c1nnn(C)n1)C1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000970290251 733315553 /nfs/dbraw/zinc/31/55/53/733315553.db2.gz WUROGUYXFQIJDR-SNVBAGLBSA-N 1 2 343.366 0.471 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2O)CC1 ZINC000970336312 733369371 /nfs/dbraw/zinc/36/93/71/733369371.db2.gz JKIHIIGFESSUFU-KGLIPLIRSA-N 1 2 332.404 0.387 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2O)CC1 ZINC000970335985 733380523 /nfs/dbraw/zinc/38/05/23/733380523.db2.gz ZDIJSWGNCSOJLJ-CVEARBPZSA-N 1 2 346.431 0.777 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]2O)CC1 ZINC000970335985 733380527 /nfs/dbraw/zinc/38/05/27/733380527.db2.gz ZDIJSWGNCSOJLJ-CVEARBPZSA-N 1 2 346.431 0.777 20 30 ECEDLO C[C@@H](NC(=O)[C@H]1CNC(=O)N1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970355752 733405794 /nfs/dbraw/zinc/40/57/94/733405794.db2.gz AGAJFRPFOKIVTI-MEBBXXQBSA-N 1 2 345.378 0.315 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H](C)C2C[NH+](Cc3cnnn3CC)C2)c1 ZINC000970399985 733471159 /nfs/dbraw/zinc/47/11/59/733471159.db2.gz WLRIDHQGYBXMRV-CYBMUJFWSA-N 1 2 338.415 0.925 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cnnn2CC)C1 ZINC000970448436 733545910 /nfs/dbraw/zinc/54/59/10/733545910.db2.gz YNQNZZSKXUXYCM-WQVCFCJDSA-N 1 2 333.436 0.826 20 30 ECEDLO C#CCOc1ncccc1C(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC000970512005 733631019 /nfs/dbraw/zinc/63/10/19/733631019.db2.gz SHTMMCQDHTUNFQ-CYBMUJFWSA-N 1 2 341.371 0.789 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H](C)C2C[NH+](Cc3ccnn3C)C2)nn1 ZINC000970551999 733668138 /nfs/dbraw/zinc/66/81/38/733668138.db2.gz JYDQCUPVMHHQQZ-CYBMUJFWSA-N 1 2 343.435 0.838 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+](CC(=O)NC3CC3)C2)nc1 ZINC000970764656 733927154 /nfs/dbraw/zinc/92/71/54/733927154.db2.gz WHDHCZZBNWVOCK-GFCCVEGCSA-N 1 2 326.400 0.392 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC000970865250 734024974 /nfs/dbraw/zinc/02/49/74/734024974.db2.gz IMBCYLJCXXRABC-VIFPVBQESA-N 1 2 326.784 0.289 20 30 ECEDLO CC(C)N(CCN(C)c1ccncc1C#N)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125439280 734074602 /nfs/dbraw/zinc/07/46/02/734074602.db2.gz NQIYKQNKAKUCOS-QGZVFWFLSA-N 1 2 345.447 0.957 20 30 ECEDLO CC(C)N(CCN(C)c1ccncc1C#N)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125439280 734074604 /nfs/dbraw/zinc/07/46/04/734074604.db2.gz NQIYKQNKAKUCOS-QGZVFWFLSA-N 1 2 345.447 0.957 20 30 ECEDLO N#Cc1ccc(N2CCO[C@@H](CNC(=O)CCc3[nH]cc[nH+]3)C2)nc1 ZINC001104308154 734196956 /nfs/dbraw/zinc/19/69/56/734196956.db2.gz CMAQLBKUZXYNRI-AWEZNQCLSA-N 1 2 340.387 0.631 20 30 ECEDLO C=CCCC(=O)NC[C@@H]1CN(c2[nH+]cnc3c2cnn3C)CCO1 ZINC001104311570 734214141 /nfs/dbraw/zinc/21/41/41/734214141.db2.gz HILCQOCNXFEJLA-GFCCVEGCSA-N 1 2 330.392 0.651 20 30 ECEDLO Cc1cc(N2CCO[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)c(C#N)cn1 ZINC001104327062 734329327 /nfs/dbraw/zinc/32/93/27/734329327.db2.gz XSBRCAOPDVPXRE-CQSZACIVSA-N 1 2 340.387 0.549 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)CCc3nc[nH]n3)C2)C1=O ZINC000971302213 734432015 /nfs/dbraw/zinc/43/20/15/734432015.db2.gz ULQYMWDKBDZKLQ-ZIAGYGMSSA-N 1 2 346.435 0.057 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)CCc3nc[nH]n3)C2)C1=O ZINC000971302213 734432018 /nfs/dbraw/zinc/43/20/18/734432018.db2.gz ULQYMWDKBDZKLQ-ZIAGYGMSSA-N 1 2 346.435 0.057 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC000971325459 734446788 /nfs/dbraw/zinc/44/67/88/734446788.db2.gz CDXSNRKOCBGDHF-NWDGAFQWSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC000971325459 734446789 /nfs/dbraw/zinc/44/67/89/734446789.db2.gz CDXSNRKOCBGDHF-NWDGAFQWSA-N 1 2 344.253 0.954 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000973144661 738826496 /nfs/dbraw/zinc/82/64/96/738826496.db2.gz PCGWWWJMTTYNLD-HAQNSBGRSA-N 1 2 326.360 0.240 20 30 ECEDLO N#Cc1ccc(N2CCO[C@H](CNC(=O)CCc3c[nH]c[nH+]3)C2)cn1 ZINC001104353519 734601730 /nfs/dbraw/zinc/60/17/30/734601730.db2.gz YEODJHMXUUZTHL-MRXNPFEDSA-N 1 2 340.387 0.631 20 30 ECEDLO N#Cc1ccc(N2CCO[C@H](CNC(=O)CCc3c[nH+]c[nH]3)C2)cn1 ZINC001104353519 734601732 /nfs/dbraw/zinc/60/17/32/734601732.db2.gz YEODJHMXUUZTHL-MRXNPFEDSA-N 1 2 340.387 0.631 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3cccn3CC)C2)C1=O ZINC001078185659 782452894 /nfs/dbraw/zinc/45/28/94/782452894.db2.gz IADJYLRXJZDDQS-VNQPRFMTSA-N 1 2 346.431 0.070 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cccn3CC)C2)C1=O ZINC001078185659 782452897 /nfs/dbraw/zinc/45/28/97/782452897.db2.gz IADJYLRXJZDDQS-VNQPRFMTSA-N 1 2 346.431 0.070 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)C1 ZINC000972129554 735679481 /nfs/dbraw/zinc/67/94/81/735679481.db2.gz GRAZLUPTDVXHIL-NEPJUHHUSA-N 1 2 344.253 0.906 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)C1 ZINC000972129554 735679484 /nfs/dbraw/zinc/67/94/84/735679484.db2.gz GRAZLUPTDVXHIL-NEPJUHHUSA-N 1 2 344.253 0.906 20 30 ECEDLO C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001041963129 782502670 /nfs/dbraw/zinc/50/26/70/782502670.db2.gz HODYCZXHUWYWDJ-ZDUSSCGKSA-N 1 2 332.404 0.101 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cnnn2CC)C1 ZINC000972372783 736036969 /nfs/dbraw/zinc/03/69/69/736036969.db2.gz IFTQXIRWYGQDFD-IMJJTQAJSA-N 1 2 333.436 0.922 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cnnn2CC)C1 ZINC000972372783 736036972 /nfs/dbraw/zinc/03/69/72/736036972.db2.gz IFTQXIRWYGQDFD-IMJJTQAJSA-N 1 2 333.436 0.922 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)C2)C1 ZINC000972394861 736116044 /nfs/dbraw/zinc/11/60/44/736116044.db2.gz RPYMQZVSLAENAH-DNVCBOLYSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)C2)C1 ZINC000972394861 736116046 /nfs/dbraw/zinc/11/60/46/736116046.db2.gz RPYMQZVSLAENAH-DNVCBOLYSA-N 1 2 347.459 0.570 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCn3ccccc3=O)C2)C1 ZINC000972406480 736133330 /nfs/dbraw/zinc/13/33/30/736133330.db2.gz HFWUXRTUUMXTDA-GOSISDBHSA-N 1 2 331.416 0.728 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)CCn3ccccc3=O)C2)C1 ZINC000972406480 736133333 /nfs/dbraw/zinc/13/33/33/736133333.db2.gz HFWUXRTUUMXTDA-GOSISDBHSA-N 1 2 331.416 0.728 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)nnn3CC)C2)C1 ZINC000972407307 736136005 /nfs/dbraw/zinc/13/60/05/736136005.db2.gz FBLZLEWREANKGH-KRWDZBQOSA-N 1 2 331.420 0.547 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)nnn3CC)C2)C1 ZINC000972407307 736136007 /nfs/dbraw/zinc/13/60/07/736136007.db2.gz FBLZLEWREANKGH-KRWDZBQOSA-N 1 2 331.420 0.547 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3cc(C4CC4)nn3)C2)C1 ZINC000972407777 736137579 /nfs/dbraw/zinc/13/75/79/736137579.db2.gz HCXMLWWJVTZPKF-KRWDZBQOSA-N 1 2 331.420 0.645 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3cc(C4CC4)nn3)C2)C1 ZINC000972407777 736137580 /nfs/dbraw/zinc/13/75/80/736137580.db2.gz HCXMLWWJVTZPKF-KRWDZBQOSA-N 1 2 331.420 0.645 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCn3ccccc3=O)C2)C1 ZINC000972410388 736143614 /nfs/dbraw/zinc/14/36/14/736143614.db2.gz VZGLLPKFIDEALG-IBGZPJMESA-N 1 2 343.427 0.565 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCn3ccccc3=O)C2)C1 ZINC000972410388 736143616 /nfs/dbraw/zinc/14/36/16/736143616.db2.gz VZGLLPKFIDEALG-IBGZPJMESA-N 1 2 343.427 0.565 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc4n3CCC4)C2)C1 ZINC000972415798 736156522 /nfs/dbraw/zinc/15/65/22/736156522.db2.gz AGNYRQJRNJFVPA-GOSISDBHSA-N 1 2 328.416 0.770 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc4n3CCC4)C2)C1 ZINC000972415798 736156525 /nfs/dbraw/zinc/15/65/25/736156525.db2.gz AGNYRQJRNJFVPA-GOSISDBHSA-N 1 2 328.416 0.770 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(=O)Nc3ccccc3)C2)C1 ZINC000972449458 736228454 /nfs/dbraw/zinc/22/84/54/736228454.db2.gz KRUAMBUPNVIDBR-SFHVURJKSA-N 1 2 327.384 0.562 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(=O)Nc3ccccc3)C2)C1 ZINC000972449458 736228456 /nfs/dbraw/zinc/22/84/56/736228456.db2.gz KRUAMBUPNVIDBR-SFHVURJKSA-N 1 2 327.384 0.562 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 ZINC000972450619 736233680 /nfs/dbraw/zinc/23/36/80/736233680.db2.gz XBPHHPAXJXGOES-GOSISDBHSA-N 1 2 344.415 0.606 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 ZINC000972450619 736233681 /nfs/dbraw/zinc/23/36/81/736233681.db2.gz XBPHHPAXJXGOES-GOSISDBHSA-N 1 2 344.415 0.606 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3cncnc3)C2)C1 ZINC000972466014 736266715 /nfs/dbraw/zinc/26/67/15/736266715.db2.gz OMHKHFRFQWAERZ-SFHVURJKSA-N 1 2 328.416 0.736 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3cncnc3)C2)C1 ZINC000972466014 736266717 /nfs/dbraw/zinc/26/67/17/736266717.db2.gz OMHKHFRFQWAERZ-SFHVURJKSA-N 1 2 328.416 0.736 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccn(C(C)C)n3)C2)C1 ZINC000972480801 736308376 /nfs/dbraw/zinc/30/83/76/736308376.db2.gz SRJWTFUOIDCQSD-SFHVURJKSA-N 1 2 330.432 0.943 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccn(C(C)C)n3)C2)C1 ZINC000972480801 736308379 /nfs/dbraw/zinc/30/83/79/736308379.db2.gz SRJWTFUOIDCQSD-SFHVURJKSA-N 1 2 330.432 0.943 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)CCC(=O)NC3)C2)C1 ZINC000972513519 736509724 /nfs/dbraw/zinc/50/97/24/736509724.db2.gz HSRGTSBPIPBLCH-QZTJIDSGSA-N 1 2 333.432 0.229 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)CCC(=O)NC3)C2)C1 ZINC000972513519 736509725 /nfs/dbraw/zinc/50/97/25/736509725.db2.gz HSRGTSBPIPBLCH-QZTJIDSGSA-N 1 2 333.432 0.229 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCc4nn[nH]c43)C2)C1 ZINC000972523403 736565678 /nfs/dbraw/zinc/56/56/78/736565678.db2.gz IWLYTQBDRPRIHH-DYVFJYSZSA-N 1 2 329.404 0.161 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCc4nn[nH]c43)C2)C1 ZINC000972523403 736565679 /nfs/dbraw/zinc/56/56/79/736565679.db2.gz IWLYTQBDRPRIHH-DYVFJYSZSA-N 1 2 329.404 0.161 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(=O)n(C)[nH]2)C1 ZINC000972528938 736594631 /nfs/dbraw/zinc/59/46/31/736594631.db2.gz CUCKFXBOPWOAJR-IPYPFGDCSA-N 1 2 349.435 0.122 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2nc(=O)n(C)[nH]2)C1 ZINC000972528938 736594637 /nfs/dbraw/zinc/59/46/37/736594637.db2.gz CUCKFXBOPWOAJR-IPYPFGDCSA-N 1 2 349.435 0.122 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)C1 ZINC000972554347 736727118 /nfs/dbraw/zinc/72/71/18/736727118.db2.gz PBRJCRZTWHJCMX-RVKKMQEKSA-N 1 2 333.432 0.215 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)C1 ZINC000972554347 736727119 /nfs/dbraw/zinc/72/71/19/736727119.db2.gz PBRJCRZTWHJCMX-RVKKMQEKSA-N 1 2 333.432 0.215 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3nnc4c3CCCC4)C2)C1 ZINC000972554665 736731750 /nfs/dbraw/zinc/73/17/50/736731750.db2.gz SKAZREICLBBBLQ-GOSISDBHSA-N 1 2 345.447 0.646 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3nnc4c3CCCC4)C2)C1 ZINC000972554665 736731754 /nfs/dbraw/zinc/73/17/54/736731754.db2.gz SKAZREICLBBBLQ-GOSISDBHSA-N 1 2 345.447 0.646 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cncc(OC)n3)C2)C1 ZINC000972583214 736946595 /nfs/dbraw/zinc/94/65/95/736946595.db2.gz QPUMXJMRJAFCDI-KRWDZBQOSA-N 1 2 330.388 0.425 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cncc(OC)n3)C2)C1 ZINC000972583214 736946596 /nfs/dbraw/zinc/94/65/96/736946596.db2.gz QPUMXJMRJAFCDI-KRWDZBQOSA-N 1 2 330.388 0.425 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCCCN3C(C)=O)C2)C1 ZINC000972584953 736965968 /nfs/dbraw/zinc/96/59/68/736965968.db2.gz DDWGCXDGYNKSHO-PKOBYXMFSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCCCN3C(C)=O)C2)C1 ZINC000972584953 736965969 /nfs/dbraw/zinc/96/59/69/736965969.db2.gz DDWGCXDGYNKSHO-PKOBYXMFSA-N 1 2 347.459 0.714 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3nccn3C)C2)nn1 ZINC001023637035 737122856 /nfs/dbraw/zinc/12/28/56/737122856.db2.gz BJNUXOAKEAZYIA-CQSZACIVSA-N 1 2 343.435 0.840 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3nccn3C)C2)nn1 ZINC001023637035 737122857 /nfs/dbraw/zinc/12/28/57/737122857.db2.gz BJNUXOAKEAZYIA-CQSZACIVSA-N 1 2 343.435 0.840 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3csc(COC)n3)C2)C1 ZINC000972629968 737162183 /nfs/dbraw/zinc/16/21/83/737162183.db2.gz GDAXYPWPOQZUQF-QGZVFWFLSA-N 1 2 349.456 0.769 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3csc(COC)n3)C2)C1 ZINC000972629968 737162187 /nfs/dbraw/zinc/16/21/87/737162187.db2.gz GDAXYPWPOQZUQF-QGZVFWFLSA-N 1 2 349.456 0.769 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)Oc3ccccn3)C2)C1 ZINC000972641680 737210802 /nfs/dbraw/zinc/21/08/02/737210802.db2.gz WCVKTPRCSPFZPO-MAUKXSAKSA-N 1 2 329.400 0.785 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)Oc3ccccn3)C2)C1 ZINC000972641680 737210806 /nfs/dbraw/zinc/21/08/06/737210806.db2.gz WCVKTPRCSPFZPO-MAUKXSAKSA-N 1 2 329.400 0.785 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ncnn3C)C2)cn1 ZINC001023711483 737219837 /nfs/dbraw/zinc/21/98/37/737219837.db2.gz ZZMFOGKOQZIBKU-AWEZNQCLSA-N 1 2 338.415 0.833 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ncnn3C)C2)cn1 ZINC001023711483 737219839 /nfs/dbraw/zinc/21/98/39/737219839.db2.gz ZZMFOGKOQZIBKU-AWEZNQCLSA-N 1 2 338.415 0.833 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCCCC(=O)N3)C2)C1 ZINC000972653566 737260817 /nfs/dbraw/zinc/26/08/17/737260817.db2.gz IRQZIURBCHPPNI-LPHOPBHVSA-N 1 2 347.459 0.762 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCCCC(=O)N3)C2)C1 ZINC000972653566 737260821 /nfs/dbraw/zinc/26/08/21/737260821.db2.gz IRQZIURBCHPPNI-LPHOPBHVSA-N 1 2 347.459 0.762 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnn(CCOC)c3)C2)C1 ZINC000972658431 737267946 /nfs/dbraw/zinc/26/79/46/737267946.db2.gz FUXIFDVEEMPVCO-SFHVURJKSA-N 1 2 346.431 0.470 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnn(CCOC)c3)C2)C1 ZINC000972658431 737267951 /nfs/dbraw/zinc/26/79/51/737267951.db2.gz FUXIFDVEEMPVCO-SFHVURJKSA-N 1 2 346.431 0.470 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)n3nc(C)cc3C)C2)C1 ZINC000972695195 737404666 /nfs/dbraw/zinc/40/46/66/737404666.db2.gz HJMWZPDNHJRPQY-WMZOPIPTSA-N 1 2 330.432 0.997 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)n3nc(C)cc3C)C2)C1 ZINC000972695195 737404668 /nfs/dbraw/zinc/40/46/68/737404668.db2.gz HJMWZPDNHJRPQY-WMZOPIPTSA-N 1 2 330.432 0.997 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)cn3)C2)C1 ZINC000972695294 737405104 /nfs/dbraw/zinc/40/51/04/737405104.db2.gz IKXNKWQJHJMNET-SFHVURJKSA-N 1 2 342.399 0.121 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)cn3)C2)C1 ZINC000972695294 737405106 /nfs/dbraw/zinc/40/51/06/737405106.db2.gz IKXNKWQJHJMNET-SFHVURJKSA-N 1 2 342.399 0.121 20 30 ECEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3nc4nc(C)cc(C)n4n3)[C@H]2C1 ZINC001083265838 737756769 /nfs/dbraw/zinc/75/67/69/737756769.db2.gz ULRBQBMSQZQCAE-UONOGXRCSA-N 1 2 342.403 0.452 20 30 ECEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3nc4nc(C)cc(C)n4n3)[C@H]2C1 ZINC001083265838 737756773 /nfs/dbraw/zinc/75/67/73/737756773.db2.gz ULRBQBMSQZQCAE-UONOGXRCSA-N 1 2 342.403 0.452 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(NC(N)=O)cc3)[C@H]2C1 ZINC001083266177 737912323 /nfs/dbraw/zinc/91/23/23/737912323.db2.gz LIMNANVDRGVVQN-LSDHHAIUSA-N 1 2 328.372 0.336 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(NC(N)=O)cc3)[C@H]2C1 ZINC001083266177 737912324 /nfs/dbraw/zinc/91/23/24/737912324.db2.gz LIMNANVDRGVVQN-LSDHHAIUSA-N 1 2 328.372 0.336 20 30 ECEDLO N#CCN1CCCC[C@@H]1CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001024576067 738122505 /nfs/dbraw/zinc/12/25/05/738122505.db2.gz PBSHQQAVTIIBPH-IAGOWNOFSA-N 1 2 334.464 0.982 20 30 ECEDLO N#CCN1CCCC[C@@H]1CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001024576067 738122508 /nfs/dbraw/zinc/12/25/08/738122508.db2.gz PBSHQQAVTIIBPH-IAGOWNOFSA-N 1 2 334.464 0.982 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)COc3ccccc3OC)[C@H]2C1 ZINC001083273390 738369781 /nfs/dbraw/zinc/36/97/81/738369781.db2.gz OXQQUJKVQDORDB-WMLDXEAASA-N 1 2 330.384 0.619 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)COc3ccccc3OC)[C@H]2C1 ZINC001083273390 738369785 /nfs/dbraw/zinc/36/97/85/738369785.db2.gz OXQQUJKVQDORDB-WMLDXEAASA-N 1 2 330.384 0.619 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(CNC(C)=O)c3)[C@H]2C1 ZINC001083279946 739111818 /nfs/dbraw/zinc/11/18/18/739111818.db2.gz XEHJEMUEUXUWHQ-ZWKOTPCHSA-N 1 2 341.411 0.481 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(CNC(C)=O)c3)[C@H]2C1 ZINC001083279946 739111820 /nfs/dbraw/zinc/11/18/20/739111820.db2.gz XEHJEMUEUXUWHQ-ZWKOTPCHSA-N 1 2 341.411 0.481 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(C(C)C)c3C)C2)nn1 ZINC001105359381 751415011 /nfs/dbraw/zinc/41/50/11/751415011.db2.gz FUGIXFXQUKLJKK-UHFFFAOYSA-N 1 2 341.419 0.784 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2cnc(C)cn2)nn1 ZINC001028187683 751422850 /nfs/dbraw/zinc/42/28/50/751422850.db2.gz LJVJHUHNAVQTIZ-OAHLLOKOSA-N 1 2 341.419 0.957 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cnc(C)cn2)nn1 ZINC001028187683 751422852 /nfs/dbraw/zinc/42/28/52/751422852.db2.gz LJVJHUHNAVQTIZ-OAHLLOKOSA-N 1 2 341.419 0.957 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2cc(OC)no2)nn1 ZINC001028188112 751421102 /nfs/dbraw/zinc/42/11/02/751421102.db2.gz UFAHQNWVBZXXSJ-GFCCVEGCSA-N 1 2 346.391 0.855 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cc(OC)no2)nn1 ZINC001028188112 751421104 /nfs/dbraw/zinc/42/11/04/751421104.db2.gz UFAHQNWVBZXXSJ-GFCCVEGCSA-N 1 2 346.391 0.855 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc4nccn4c3)C2)nn1 ZINC001105359506 751433244 /nfs/dbraw/zinc/43/32/44/751433244.db2.gz LABVOKWOAVPCOX-UHFFFAOYSA-N 1 2 349.398 0.736 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)Cc3c[nH+]cn3C)C2)nc1 ZINC000973465505 739334050 /nfs/dbraw/zinc/33/40/50/739334050.db2.gz PPLUMVUDCZYNSV-HDJSIYSDSA-N 1 2 337.383 0.416 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)CS(C)(=O)=O)C1 ZINC001112011201 739346500 /nfs/dbraw/zinc/34/65/00/739346500.db2.gz DSKYKFWRJKSSJE-DZKIICNBSA-N 1 2 326.462 0.661 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)CS(C)(=O)=O)C1 ZINC001112011201 739346505 /nfs/dbraw/zinc/34/65/05/739346505.db2.gz DSKYKFWRJKSSJE-DZKIICNBSA-N 1 2 326.462 0.661 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001028196265 751445819 /nfs/dbraw/zinc/44/58/19/751445819.db2.gz GROVKOQWZVPIJY-VTWZXRTESA-N 1 2 340.811 0.308 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001028196265 751445822 /nfs/dbraw/zinc/44/58/22/751445822.db2.gz GROVKOQWZVPIJY-VTWZXRTESA-N 1 2 340.811 0.308 20 30 ECEDLO C[C@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001104723000 739533196 /nfs/dbraw/zinc/53/31/96/739533196.db2.gz INIQJJPGXBQTIU-OLZOCXBDSA-N 1 2 339.403 0.488 20 30 ECEDLO N#Cc1cncc(N2CCC3(C[C@@H]3NC(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC001058639605 739653549 /nfs/dbraw/zinc/65/35/49/739653549.db2.gz LXMQDBGMACNZHR-ZDUSSCGKSA-N 1 2 337.387 0.789 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2O)C1 ZINC001025524883 739686931 /nfs/dbraw/zinc/68/69/31/739686931.db2.gz UEKBSROPGDUOTB-CHWSQXEVSA-N 1 2 332.404 0.387 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C(=O)OC ZINC001025705742 739884787 /nfs/dbraw/zinc/88/47/87/739884787.db2.gz XTMWMVXDWUERPK-JCIQBVFBSA-N 1 2 343.221 0.751 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C(=O)OC ZINC001025705742 739884788 /nfs/dbraw/zinc/88/47/88/739884788.db2.gz XTMWMVXDWUERPK-JCIQBVFBSA-N 1 2 343.221 0.751 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)CCCOC)C2)nn1 ZINC001105359589 751489644 /nfs/dbraw/zinc/48/96/44/751489644.db2.gz NWXPUTLOKJAHTR-AWEZNQCLSA-N 1 2 333.436 0.837 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2cncnc2)[C@@H](n2ccnn2)C1 ZINC001070006581 790307240 /nfs/dbraw/zinc/30/72/40/790307240.db2.gz DXSRTXYTFCPWCH-IMJJTQAJSA-N 1 2 339.403 0.237 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)c2cncnc2)[C@@H](n2ccnn2)C1 ZINC001070006581 790307246 /nfs/dbraw/zinc/30/72/46/790307246.db2.gz DXSRTXYTFCPWCH-IMJJTQAJSA-N 1 2 339.403 0.237 20 30 ECEDLO CN(C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)c1cncc(C#N)n1 ZINC001058692268 740523930 /nfs/dbraw/zinc/52/39/30/740523930.db2.gz VPPUQJNMACOQLW-CQSZACIVSA-N 1 2 339.403 0.920 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1c1cnc(C#N)cn1 ZINC001067541913 741033188 /nfs/dbraw/zinc/03/31/88/741033188.db2.gz FQFBDUNZQCDMTQ-OLZOCXBDSA-N 1 2 339.403 0.798 20 30 ECEDLO C=CCCC(=O)N1CC(n2cc(CNCc3c[nH+]cn3C)nn2)C1 ZINC001105185729 741449395 /nfs/dbraw/zinc/44/93/95/741449395.db2.gz UAWCHVOUVAJERL-UHFFFAOYSA-N 1 2 329.408 0.651 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C=C3CCC3)C2)nn1 ZINC001105207516 741474529 /nfs/dbraw/zinc/47/45/29/741474529.db2.gz XOXZWSMDBVOYRN-UHFFFAOYSA-N 1 2 344.419 0.164 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@](C)(O)C3CC3)C2)nn1 ZINC001105216747 741489427 /nfs/dbraw/zinc/48/94/27/741489427.db2.gz ZNSXWAUHGCBTLR-QGZVFWFLSA-N 1 2 331.420 0.325 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3nccn3CC)C2)nn1 ZINC001105221805 741496812 /nfs/dbraw/zinc/49/68/12/741496812.db2.gz XAGAYSNLXVGBDS-UHFFFAOYSA-N 1 2 327.392 0.305 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@H](Nc1[nH+]cnc2c1cnn2C)C(C)C ZINC001105224274 741505002 /nfs/dbraw/zinc/50/50/02/741505002.db2.gz BZGONNJLSJBBCG-JSGCOSHPSA-N 1 2 344.419 0.954 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc[nH]c3CC)C2)nn1 ZINC001105227445 741508448 /nfs/dbraw/zinc/50/84/48/741508448.db2.gz KJTWNVUSMVNAMX-UHFFFAOYSA-N 1 2 326.404 0.979 20 30 ECEDLO C#CCOCCC(=O)N1CC(n2cc(C[NH2+]C[C@H](F)CC)nn2)C1 ZINC001105240478 741531619 /nfs/dbraw/zinc/53/16/19/741531619.db2.gz OVHLARRAXUSILA-CYBMUJFWSA-N 1 2 337.399 0.539 20 30 ECEDLO C#CCOCCC(=O)N1CC(n2cc(C[NH2+]C[C@@H](F)CC)nn2)C1 ZINC001105240479 741531695 /nfs/dbraw/zinc/53/16/95/741531695.db2.gz OVHLARRAXUSILA-ZDUSSCGKSA-N 1 2 337.399 0.539 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCO[C@@H]3CC)C2)nn1 ZINC001105256688 741571878 /nfs/dbraw/zinc/57/18/78/741571878.db2.gz NPZVWWJXOOURPC-DLBZAZTESA-N 1 2 345.447 0.980 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc4nccnc4c3)C2)nn1 ZINC001105262374 741593778 /nfs/dbraw/zinc/59/37/78/741593778.db2.gz YTJGPILVGMLLCZ-UHFFFAOYSA-N 1 2 348.370 0.036 20 30 ECEDLO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001026618291 741619499 /nfs/dbraw/zinc/61/94/99/741619499.db2.gz YXBRXOWKHYPUOS-FVQBIDKESA-N 1 2 340.427 0.822 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3coc(OC)n3)C2)nn1 ZINC001105292638 741656234 /nfs/dbraw/zinc/65/62/34/741656234.db2.gz YPHUXMMLIRZZSJ-UHFFFAOYSA-N 1 2 330.348 0.085 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ocnc3C3CC3)C2)nn1 ZINC001105326886 741803688 /nfs/dbraw/zinc/80/36/88/741803688.db2.gz KPKFJKVEVJSHQI-UHFFFAOYSA-N 1 2 340.387 0.954 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)C1CCOCC1 ZINC001083303948 741915162 /nfs/dbraw/zinc/91/51/62/741915162.db2.gz YQALFYAMNXHRDO-MSOLQXFVSA-N 1 2 328.412 0.626 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)C1CCOCC1 ZINC001083303948 741915167 /nfs/dbraw/zinc/91/51/67/741915167.db2.gz YQALFYAMNXHRDO-MSOLQXFVSA-N 1 2 328.412 0.626 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2nncn2C)CC1(C)C ZINC000974706559 742083821 /nfs/dbraw/zinc/08/38/21/742083821.db2.gz VQWQHKYHKPHOPU-GJZGRUSLSA-N 1 2 344.463 0.239 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2nncn2C)CC1(C)C ZINC000974706559 742083826 /nfs/dbraw/zinc/08/38/26/742083826.db2.gz VQWQHKYHKPHOPU-GJZGRUSLSA-N 1 2 344.463 0.239 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)C(C)C)C2)nn1 ZINC001105336292 742358877 /nfs/dbraw/zinc/35/88/77/742358877.db2.gz BRVQEICBUAQHLB-CYBMUJFWSA-N 1 2 348.451 0.345 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)[nH]1 ZINC000975216690 742612528 /nfs/dbraw/zinc/61/25/28/742612528.db2.gz CKUFVVXMRZWUCH-LBPRGKRZSA-N 1 2 340.387 0.821 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)c[nH]1 ZINC000975216819 742613262 /nfs/dbraw/zinc/61/32/62/742613262.db2.gz ZPORIOGXZMRHLZ-CYBMUJFWSA-N 1 2 340.387 0.751 20 30 ECEDLO CC(=O)Nc1nc(C[NH2+]CCNC(=O)c2c[nH]c(C#N)c2)cs1 ZINC001125995085 743139411 /nfs/dbraw/zinc/13/94/11/743139411.db2.gz SLKSSQXQKPSUKC-UHFFFAOYSA-N 1 2 332.389 0.821 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCc2ccco2)[C@H](OC)C1 ZINC001211845300 743146321 /nfs/dbraw/zinc/14/63/21/743146321.db2.gz UVCCOAVWOIOSMK-FVQBIDKESA-N 1 2 349.431 0.718 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2ccco2)[C@H](OC)C1 ZINC001211845300 743146329 /nfs/dbraw/zinc/14/63/29/743146329.db2.gz UVCCOAVWOIOSMK-FVQBIDKESA-N 1 2 349.431 0.718 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)nc1 ZINC000997091541 743222311 /nfs/dbraw/zinc/22/23/11/743222311.db2.gz AYQCSHIWKPZZSB-CQSZACIVSA-N 1 2 349.394 0.463 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001149139281 743226111 /nfs/dbraw/zinc/22/61/11/743226111.db2.gz YTDAJYPPOQCCKG-GJZGRUSLSA-N 1 2 334.420 0.190 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001149139281 743226120 /nfs/dbraw/zinc/22/61/20/743226120.db2.gz YTDAJYPPOQCCKG-GJZGRUSLSA-N 1 2 334.420 0.190 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001149139282 743226620 /nfs/dbraw/zinc/22/66/20/743226620.db2.gz YTDAJYPPOQCCKG-HUUCEWRRSA-N 1 2 334.420 0.190 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001149139282 743226622 /nfs/dbraw/zinc/22/66/22/743226622.db2.gz YTDAJYPPOQCCKG-HUUCEWRRSA-N 1 2 334.420 0.190 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)nc1 ZINC000997094259 743227455 /nfs/dbraw/zinc/22/74/55/743227455.db2.gz XLORFOGRIXZFMN-CYBMUJFWSA-N 1 2 337.383 0.851 20 30 ECEDLO C#CCCCC(=O)NCC[NH2+]Cc1nc(-c2ccc(OC)nn2)no1 ZINC001126339287 751875449 /nfs/dbraw/zinc/87/54/49/751875449.db2.gz VPMVIZVOQGIVDI-UHFFFAOYSA-N 1 2 344.375 0.545 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000998094999 743975118 /nfs/dbraw/zinc/97/51/18/743975118.db2.gz CALLWKYMNDDVMZ-WFASDCNBSA-N 1 2 334.420 0.116 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000998094999 743975123 /nfs/dbraw/zinc/97/51/23/743975123.db2.gz CALLWKYMNDDVMZ-WFASDCNBSA-N 1 2 334.420 0.116 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000976728514 744251663 /nfs/dbraw/zinc/25/16/63/744251663.db2.gz OMEABEDNGFMJFJ-JYKNGBAOSA-N 1 2 327.388 0.178 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000976722236 744269793 /nfs/dbraw/zinc/26/97/93/744269793.db2.gz AQSBIWOFSVXWOB-XSXPHNMFSA-N 1 2 327.388 0.178 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]32)c[nH+]1 ZINC000976759619 744274830 /nfs/dbraw/zinc/27/48/30/744274830.db2.gz JCIKZDUXNGHBQG-SCUASFONSA-N 1 2 329.404 0.659 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ncnn2CC)C1 ZINC000998922592 744406979 /nfs/dbraw/zinc/40/69/79/744406979.db2.gz KFDHQUYJVRHARB-GPANFISMSA-N 1 2 344.463 0.475 20 30 ECEDLO COCc1noc(C[NH2+][C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000998958405 744429899 /nfs/dbraw/zinc/42/98/99/744429899.db2.gz VLIUEXFLDBCDMZ-GFCCVEGCSA-N 1 2 344.375 0.810 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2c[nH+]cn2C)cn1 ZINC000976872355 744430694 /nfs/dbraw/zinc/43/06/94/744430694.db2.gz RVVBRUFMOSWTOB-VQFNDLOPSA-N 1 2 349.394 0.226 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)CC2(C)C)nn1 ZINC000977283935 744841859 /nfs/dbraw/zinc/84/18/59/744841859.db2.gz IYUGUZDTEHZBCU-ZIAGYGMSSA-N 1 2 346.435 0.183 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)CC2(C)C)nn1 ZINC000977283935 744841862 /nfs/dbraw/zinc/84/18/62/744841862.db2.gz IYUGUZDTEHZBCU-ZIAGYGMSSA-N 1 2 346.435 0.183 20 30 ECEDLO C#Cc1cncc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C3)c1 ZINC000999737691 744879082 /nfs/dbraw/zinc/87/90/82/744879082.db2.gz KARCVRIFWMCEHZ-PMPSAXMXSA-N 1 2 349.394 0.890 20 30 ECEDLO CN(CCCN(C)c1cncc(C#N)n1)C(=O)CCn1cc[nH+]c1 ZINC001112149005 745124280 /nfs/dbraw/zinc/12/42/80/745124280.db2.gz LGCMJYAOJAZXAZ-UHFFFAOYSA-N 1 2 327.392 0.920 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001000021442 745192383 /nfs/dbraw/zinc/19/23/83/745192383.db2.gz COUZABNNCVWELZ-YUELXQCFSA-N 1 2 344.415 0.364 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C3(C)CCC3)C2)nn1 ZINC001098697166 745216741 /nfs/dbraw/zinc/21/67/41/745216741.db2.gz CAURUIKZGUAHDU-INIZCTEOSA-N 1 2 345.447 0.981 20 30 ECEDLO CN(C[C@H]1CCN1C(=O)CCc1c[nH]c[nH+]1)C(=O)c1ccc(C#N)[nH]1 ZINC000977602232 745252275 /nfs/dbraw/zinc/25/22/75/745252275.db2.gz RCPUVZLDYSSYHV-CQSZACIVSA-N 1 2 340.387 0.915 20 30 ECEDLO CN(C[C@H]1CCN1C(=O)CCc1c[nH+]c[nH]1)C(=O)c1ccc(C#N)[nH]1 ZINC000977602232 745252279 /nfs/dbraw/zinc/25/22/79/745252279.db2.gz RCPUVZLDYSSYHV-CQSZACIVSA-N 1 2 340.387 0.915 20 30 ECEDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 ZINC000337180084 745294305 /nfs/dbraw/zinc/29/43/05/745294305.db2.gz LYPVVJYEOLWAMW-OLZOCXBDSA-N 1 2 339.421 0.069 20 30 ECEDLO Cc1cncc(C[N@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)c1 ZINC001083413991 745527840 /nfs/dbraw/zinc/52/78/40/745527840.db2.gz HEAFCPNRQUTIIG-CVEARBPZSA-N 1 2 325.372 0.565 20 30 ECEDLO Cc1cncc(C[N@@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)c1 ZINC001083413991 745527842 /nfs/dbraw/zinc/52/78/42/745527842.db2.gz HEAFCPNRQUTIIG-CVEARBPZSA-N 1 2 325.372 0.565 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCC[C@H]([N@@H+](C)Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001027567158 745565150 /nfs/dbraw/zinc/56/51/50/745565150.db2.gz RJBWYFILIIBXRJ-ZDUSSCGKSA-N 1 2 333.436 0.888 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCC[C@H]([N@H+](C)Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001027567158 745565156 /nfs/dbraw/zinc/56/51/56/745565156.db2.gz RJBWYFILIIBXRJ-ZDUSSCGKSA-N 1 2 333.436 0.888 20 30 ECEDLO CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000977912168 745664685 /nfs/dbraw/zinc/66/46/85/745664685.db2.gz XUESMBDFMLZFAV-JKSUJKDBSA-N 1 2 340.427 0.918 20 30 ECEDLO Cc1noc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)n1 ZINC000977967771 745753476 /nfs/dbraw/zinc/75/34/76/745753476.db2.gz RXZYFWSGTKCWGB-XYYAHUGASA-N 1 2 326.360 0.686 20 30 ECEDLO Cc1noc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)n1 ZINC000977967771 745753481 /nfs/dbraw/zinc/75/34/81/745753481.db2.gz RXZYFWSGTKCWGB-XYYAHUGASA-N 1 2 326.360 0.686 20 30 ECEDLO CCn1ncc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)n1 ZINC000977968509 745753967 /nfs/dbraw/zinc/75/39/67/745753967.db2.gz SQNNCPUCWDDGSK-QKDCVEJESA-N 1 2 339.403 0.606 20 30 ECEDLO CCn1ncc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)n1 ZINC000977968509 745753969 /nfs/dbraw/zinc/75/39/69/745753969.db2.gz SQNNCPUCWDDGSK-QKDCVEJESA-N 1 2 339.403 0.606 20 30 ECEDLO Cc1noc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)n1 ZINC000978025854 745791580 /nfs/dbraw/zinc/79/15/80/745791580.db2.gz ZCVDPNKIESSDTN-XYYAHUGASA-N 1 2 326.360 0.686 20 30 ECEDLO Cc1noc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)n1 ZINC000978025854 745791584 /nfs/dbraw/zinc/79/15/84/745791584.db2.gz ZCVDPNKIESSDTN-XYYAHUGASA-N 1 2 326.360 0.686 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2CCC(=O)NC2)s1 ZINC001038447349 746046836 /nfs/dbraw/zinc/04/68/36/746046836.db2.gz DMOGQGQYPQEUFF-NEPJUHHUSA-N 1 2 332.429 0.836 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2CCC(=O)NC2)s1 ZINC001038447349 746046837 /nfs/dbraw/zinc/04/68/37/746046837.db2.gz DMOGQGQYPQEUFF-NEPJUHHUSA-N 1 2 332.429 0.836 20 30 ECEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NC[C@@H]2[C@H]3CN(CC#N)C[C@H]32)[nH]n1 ZINC000978220032 746054567 /nfs/dbraw/zinc/05/45/67/746054567.db2.gz IQZALMGAGUIGBH-JFILPPLUSA-N 1 2 328.420 0.608 20 30 ECEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NC[C@@H]2[C@H]3CN(CC#N)C[C@H]32)[nH]n1 ZINC000978220032 746054572 /nfs/dbraw/zinc/05/45/72/746054572.db2.gz IQZALMGAGUIGBH-JFILPPLUSA-N 1 2 328.420 0.608 20 30 ECEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@H]1CCC(=O)NC1 ZINC001038448052 746140556 /nfs/dbraw/zinc/14/05/56/746140556.db2.gz GRCNIWZRYXTNND-DLBZAZTESA-N 1 2 325.412 0.755 20 30 ECEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@H]1CCC(=O)NC1 ZINC001038448052 746140560 /nfs/dbraw/zinc/14/05/60/746140560.db2.gz GRCNIWZRYXTNND-DLBZAZTESA-N 1 2 325.412 0.755 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)[C@H]1CC ZINC001087708377 746215103 /nfs/dbraw/zinc/21/51/03/746215103.db2.gz ZWVZBDMDBOUABA-GARJFASQSA-N 1 2 345.241 0.546 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)[C@H]1CC ZINC001087708377 746215106 /nfs/dbraw/zinc/21/51/06/746215106.db2.gz ZWVZBDMDBOUABA-GARJFASQSA-N 1 2 345.241 0.546 20 30 ECEDLO Cn1ncc(C[NH+]2CCC(CNC(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC001001285278 746246125 /nfs/dbraw/zinc/24/61/25/746246125.db2.gz DJFOGMXFRUUXQD-UHFFFAOYSA-N 1 2 327.392 0.657 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)C[C@H]2CCN2C(=O)Cc2[nH]cc[nH+]2)c1 ZINC000978371984 746257272 /nfs/dbraw/zinc/25/72/72/746257272.db2.gz XGZKARHMYDFVBZ-OAHLLOKOSA-N 1 2 337.383 0.702 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000984351746 746322321 /nfs/dbraw/zinc/32/23/21/746322321.db2.gz MJJAJFBPCSORBQ-OAHLLOKOSA-N 1 2 340.387 0.846 20 30 ECEDLO Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)o1 ZINC001083417817 746417087 /nfs/dbraw/zinc/41/70/87/746417087.db2.gz FDKXHWBJZQGGDM-KGLIPLIRSA-N 1 2 329.360 0.466 20 30 ECEDLO Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)o1 ZINC001083417817 746417089 /nfs/dbraw/zinc/41/70/89/746417089.db2.gz FDKXHWBJZQGGDM-KGLIPLIRSA-N 1 2 329.360 0.466 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ncnn4C)C[C@H]32)c1 ZINC000978701742 746617277 /nfs/dbraw/zinc/61/72/77/746617277.db2.gz SUVWBNMJTCIOHQ-PHZGNYQRSA-N 1 2 336.399 0.299 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ncnn4C)C[C@H]32)c1 ZINC000978701742 746617282 /nfs/dbraw/zinc/61/72/82/746617282.db2.gz SUVWBNMJTCIOHQ-PHZGNYQRSA-N 1 2 336.399 0.299 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c[nH]1 ZINC000978739265 746635396 /nfs/dbraw/zinc/63/53/96/746635396.db2.gz OTSXWONDGZRXNJ-KLPPZKSPSA-N 1 2 326.360 0.477 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)/C=C(/C)C2CC2)[C@H](OC)C1 ZINC001211957773 752112383 /nfs/dbraw/zinc/11/23/83/752112383.db2.gz ZMBCLUQSGZJSLR-GUZZSNCSSA-N 1 2 333.432 0.296 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)/C=C(/C)C2CC2)[C@H](OC)C1 ZINC001211957773 752112388 /nfs/dbraw/zinc/11/23/88/752112388.db2.gz ZMBCLUQSGZJSLR-GUZZSNCSSA-N 1 2 333.432 0.296 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](Nc2ccc(C#N)nn2)C1 ZINC001059415131 746766316 /nfs/dbraw/zinc/76/63/16/746766316.db2.gz YBGMBYYXHAPEJT-AAVRWANBSA-N 1 2 337.387 0.945 20 30 ECEDLO C=CCn1cc(C(=O)NCC2CC[NH+](Cc3ncnn3C)CC2)nn1 ZINC001001918565 746806787 /nfs/dbraw/zinc/80/67/87/746806787.db2.gz JZOHFCCDDYPMKL-UHFFFAOYSA-N 1 2 344.423 0.235 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC[NH+](Cc2nnnn2C)CC1 ZINC001001931173 746814528 /nfs/dbraw/zinc/81/45/28/746814528.db2.gz LFOHNNLGPSRXGY-HOCLYGCPSA-N 1 2 348.451 0.520 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001002219234 747095968 /nfs/dbraw/zinc/09/59/68/747095968.db2.gz MEDPIDLCINRMGG-KGLIPLIRSA-N 1 2 332.404 0.508 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](CC(C)C)OC)C2)nn1 ZINC001098715959 747164415 /nfs/dbraw/zinc/16/44/15/747164415.db2.gz MPNUFZNAXFPNRV-HZPDHXFCSA-N 1 2 333.436 0.835 20 30 ECEDLO CO[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)CSCC#N ZINC001211891379 747356109 /nfs/dbraw/zinc/35/61/09/747356109.db2.gz LIUVYXKEMDHQFC-ZIAGYGMSSA-N 1 2 337.449 0.301 20 30 ECEDLO CO[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1NC(=O)CSCC#N ZINC001211891379 747356114 /nfs/dbraw/zinc/35/61/14/747356114.db2.gz LIUVYXKEMDHQFC-ZIAGYGMSSA-N 1 2 337.449 0.301 20 30 ECEDLO Cc1nnc(C[NH2+][C@H](C)[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)o1 ZINC000979287216 747539088 /nfs/dbraw/zinc/53/90/88/747539088.db2.gz DJSLMJRWWXAHPJ-QMTHXVAHSA-N 1 2 344.375 0.597 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000979324126 747612675 /nfs/dbraw/zinc/61/26/75/747612675.db2.gz FLOILLDMMRNADH-RQJABVFESA-N 1 2 332.404 0.554 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1)C(=O)c1c[nH]c(C#N)c1 ZINC001002649193 747617133 /nfs/dbraw/zinc/61/71/33/747617133.db2.gz QMNUPBBAKQDNBF-HNNXBMFYSA-N 1 2 340.387 0.846 20 30 ECEDLO CCc1nnc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)C#CC3CC3)CCO2)o1 ZINC000979330808 747623958 /nfs/dbraw/zinc/62/39/58/747623958.db2.gz KGWGGVVXLPHDDR-GXTWGEPZSA-N 1 2 332.404 0.751 20 30 ECEDLO C=CCCOCCNC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000342000690 748165739 /nfs/dbraw/zinc/16/57/39/748165739.db2.gz IDLXDVULFAUQAW-CQSZACIVSA-N 1 2 334.420 0.835 20 30 ECEDLO C=CCn1cccc1C(=O)N1CCC([N@@H+](C)Cc2nnnn2C)CC1 ZINC000985472618 748205635 /nfs/dbraw/zinc/20/56/35/748205635.db2.gz QUJRHKUYAOTGTL-UHFFFAOYSA-N 1 2 343.435 0.934 20 30 ECEDLO C=CCn1cccc1C(=O)N1CCC([N@H+](C)Cc2nnnn2C)CC1 ZINC000985472618 748205641 /nfs/dbraw/zinc/20/56/41/748205641.db2.gz QUJRHKUYAOTGTL-UHFFFAOYSA-N 1 2 343.435 0.934 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC000979820731 748506198 /nfs/dbraw/zinc/50/61/98/748506198.db2.gz ZCEBESWPXFWWMD-HRCADAONSA-N 1 2 326.400 0.650 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001059592548 748676268 /nfs/dbraw/zinc/67/62/68/748676268.db2.gz LFOXPABGGMVSDS-PHIMTYICSA-N 1 2 336.359 0.936 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1OC ZINC001211992565 752303142 /nfs/dbraw/zinc/30/31/42/752303142.db2.gz SAKLCIFSLMBAMP-RRFJBIMHSA-N 1 2 339.436 0.015 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1OC ZINC001211992565 752303149 /nfs/dbraw/zinc/30/31/49/752303149.db2.gz SAKLCIFSLMBAMP-RRFJBIMHSA-N 1 2 339.436 0.015 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2ccoc2)[C@H](OC)C1 ZINC001212166131 761906487 /nfs/dbraw/zinc/90/64/87/761906487.db2.gz TYAHANSVFJRARE-NWANDNLSSA-N 1 2 335.404 0.328 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2ccoc2)[C@H](OC)C1 ZINC001212166131 761906491 /nfs/dbraw/zinc/90/64/91/761906491.db2.gz TYAHANSVFJRARE-NWANDNLSSA-N 1 2 335.404 0.328 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC[C@@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001059647787 749108860 /nfs/dbraw/zinc/10/88/60/749108860.db2.gz GRCOMKNZSIQEJO-JKSUJKDBSA-N 1 2 346.431 0.666 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001059648528 749109761 /nfs/dbraw/zinc/10/97/61/749109761.db2.gz UORAMVVJXLPUHA-HUUCEWRRSA-N 1 2 332.404 0.276 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3cncnc3)CC2)CC1 ZINC000985825307 749181612 /nfs/dbraw/zinc/18/16/12/749181612.db2.gz MWCVURHBWVKHJL-UHFFFAOYSA-N 1 2 344.419 0.158 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CCOC3)CC2)CC1 ZINC000985827237 749189803 /nfs/dbraw/zinc/18/98/03/749189803.db2.gz XQPJTBNRYFXWPK-OAHLLOKOSA-N 1 2 336.436 0.091 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H](F)CC)CC2)CC1 ZINC000985828195 749192621 /nfs/dbraw/zinc/19/26/21/749192621.db2.gz BCUQSHOYSMBCKQ-AWEZNQCLSA-N 1 2 326.416 0.802 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3[nH]cnc3C)CC2)CC1 ZINC000985833340 749202762 /nfs/dbraw/zinc/20/27/62/749202762.db2.gz QTQHWANZZNHGQC-UHFFFAOYSA-N 1 2 346.435 0.400 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001105806166 761942379 /nfs/dbraw/zinc/94/23/79/761942379.db2.gz RCFZCHAODVBQHX-CXAGYDPISA-N 1 2 334.420 0.879 20 30 ECEDLO COCCn1cc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)nn1 ZINC001004433811 749491173 /nfs/dbraw/zinc/49/11/73/749491173.db2.gz ITYXEJQGBBPYKI-INIZCTEOSA-N 1 2 346.435 0.765 20 30 ECEDLO COCCn1cc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)nn1 ZINC001004433811 749491178 /nfs/dbraw/zinc/49/11/78/749491178.db2.gz ITYXEJQGBBPYKI-INIZCTEOSA-N 1 2 346.435 0.765 20 30 ECEDLO Cn1cnc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)cc1=O ZINC001004458766 749525641 /nfs/dbraw/zinc/52/56/41/749525641.db2.gz QOQDSJSBGCDWFV-OAHLLOKOSA-N 1 2 329.404 0.620 20 30 ECEDLO Cn1cnc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)cc1=O ZINC001004458766 749525645 /nfs/dbraw/zinc/52/56/45/749525645.db2.gz QOQDSJSBGCDWFV-OAHLLOKOSA-N 1 2 329.404 0.620 20 30 ECEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC2CS(=O)(=O)C2)CC1 ZINC001004476056 749546020 /nfs/dbraw/zinc/54/60/20/749546020.db2.gz WXQSIWWPWVTYCA-OAHLLOKOSA-N 1 2 339.461 0.648 20 30 ECEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC2CS(=O)(=O)C2)CC1 ZINC001004476056 749546028 /nfs/dbraw/zinc/54/60/28/749546028.db2.gz WXQSIWWPWVTYCA-OAHLLOKOSA-N 1 2 339.461 0.648 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC000980465452 749610813 /nfs/dbraw/zinc/61/08/13/749610813.db2.gz GDAUNLTUICXMDN-KOMQPUFPSA-N 1 2 337.383 0.584 20 30 ECEDLO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCCCN1C(=O)c1cc(C#N)c[nH]1 ZINC001004799497 749881595 /nfs/dbraw/zinc/88/15/95/749881595.db2.gz KCEBUUSPKLJBPV-BXUZGUMPSA-N 1 2 342.407 0.583 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3cc(C)on3)CC2)C1=O ZINC000980675767 749960208 /nfs/dbraw/zinc/96/02/08/749960208.db2.gz WYNSOIFFPAJPCU-HNNXBMFYSA-N 1 2 332.404 0.918 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3cc(C)on3)CC2)C1=O ZINC000980675767 749960212 /nfs/dbraw/zinc/96/02/12/749960212.db2.gz WYNSOIFFPAJPCU-HNNXBMFYSA-N 1 2 332.404 0.918 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CC[C@H]3CCCOC3)C2)nn1 ZINC001105352515 750462050 /nfs/dbraw/zinc/46/20/50/750462050.db2.gz WOSIRKRWWSIOND-CQSZACIVSA-N 1 2 331.420 0.591 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CC[C@H]3CCCOC3)C2)nn1 ZINC001105351541 750463441 /nfs/dbraw/zinc/46/34/41/750463441.db2.gz AFLYZIXWPZPBQP-OAHLLOKOSA-N 1 2 345.447 0.981 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nc(CC)no3)[C@@H]2C)nn1 ZINC000987131202 750516449 /nfs/dbraw/zinc/51/64/49/750516449.db2.gz CEFQUJFRVWEAAE-RYUDHWBXSA-N 1 2 345.407 0.802 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(CC)o3)[C@H]2C)nn1 ZINC000987135729 750523758 /nfs/dbraw/zinc/52/37/58/750523758.db2.gz QZOIVRSDLUELSV-VXGBXAGGSA-N 1 2 345.407 0.802 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3cnsn3)[C@@H]2C)nn1 ZINC000987137814 750534453 /nfs/dbraw/zinc/53/44/53/750534453.db2.gz ZPTDUOFVOQENSK-JQWIXIFHSA-N 1 2 333.421 0.708 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(CCC)on3)C2)nn1 ZINC001105356464 750557566 /nfs/dbraw/zinc/55/75/66/750557566.db2.gz SNHNPFSDADCRAQ-UHFFFAOYSA-N 1 2 328.376 0.639 20 30 ECEDLO CC#CC[NH+]1CCC(N(C)C(=O)C[C@@H]2CCCS2(=O)=O)CC1 ZINC001005765977 750610677 /nfs/dbraw/zinc/61/06/77/750610677.db2.gz NQRPHQWPMFBJDD-HNNXBMFYSA-N 1 2 326.462 0.900 20 30 ECEDLO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001005928330 750811334 /nfs/dbraw/zinc/81/13/34/750811334.db2.gz XELYIKVDNYNWDZ-NSHDSACASA-N 1 2 340.387 0.439 20 30 ECEDLO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001005949559 750838095 /nfs/dbraw/zinc/83/80/95/750838095.db2.gz XGMBJIJKBAVKNU-NSHDSACASA-N 1 2 326.360 0.360 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ncoc3C3CC3)C2)nn1 ZINC001105357593 750936092 /nfs/dbraw/zinc/93/60/92/750936092.db2.gz GSALGRYFLDVJBC-UHFFFAOYSA-N 1 2 340.387 0.954 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@H+](CC(=O)Nc1cnccn1)C2 ZINC000981672230 750952554 /nfs/dbraw/zinc/95/25/54/750952554.db2.gz QDHOSVYYFGXVCM-ZDUSSCGKSA-N 1 2 342.403 0.499 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](CC(=O)Nc1cnccn1)C2 ZINC000981672230 750952562 /nfs/dbraw/zinc/95/25/62/750952562.db2.gz QDHOSVYYFGXVCM-ZDUSSCGKSA-N 1 2 342.403 0.499 20 30 ECEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCNC3=O)CC2)ccc1F ZINC000981747352 751067202 /nfs/dbraw/zinc/06/72/02/751067202.db2.gz XJAKHNGVMRGZRE-OAHLLOKOSA-N 1 2 344.390 0.868 20 30 ECEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CCNC3=O)CC2)ccc1F ZINC000981747352 751067209 /nfs/dbraw/zinc/06/72/09/751067209.db2.gz XJAKHNGVMRGZRE-OAHLLOKOSA-N 1 2 344.390 0.868 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC000991609915 762103107 /nfs/dbraw/zinc/10/31/07/762103107.db2.gz FXUJFSPJVFWSSU-KBPBESRZSA-N 1 2 334.420 0.253 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cnnn1CC ZINC001028144443 751207411 /nfs/dbraw/zinc/20/74/11/751207411.db2.gz DSLBYXFQFAFDIL-IMJJTQAJSA-N 1 2 333.436 0.970 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cnnn1CC ZINC001028144443 751207416 /nfs/dbraw/zinc/20/74/16/751207416.db2.gz DSLBYXFQFAFDIL-IMJJTQAJSA-N 1 2 333.436 0.970 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C(=O)C3(C(N)=O)CC3)CC2)c1 ZINC000981864765 751214976 /nfs/dbraw/zinc/21/49/76/751214976.db2.gz FWWYLUINQKZKIQ-UHFFFAOYSA-N 1 2 344.390 0.997 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(C(=O)C3(C(N)=O)CC3)CC2)c1 ZINC000981864765 751214978 /nfs/dbraw/zinc/21/49/78/751214978.db2.gz FWWYLUINQKZKIQ-UHFFFAOYSA-N 1 2 344.390 0.997 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1COCCN1C(C)=O ZINC001028327110 752388779 /nfs/dbraw/zinc/38/87/79/752388779.db2.gz SXNIGLPGHFRKRL-UONOGXRCSA-N 1 2 329.828 0.567 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1COCCN1C(C)=O ZINC001028327110 752388787 /nfs/dbraw/zinc/38/87/87/752388787.db2.gz SXNIGLPGHFRKRL-UONOGXRCSA-N 1 2 329.828 0.567 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2OC)C[C@H]1OC ZINC001212032039 752429253 /nfs/dbraw/zinc/42/92/53/752429253.db2.gz GWVZRAWFCVNNOM-HUUCEWRRSA-N 1 2 335.404 0.608 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2cccnc2OC)C[C@H]1OC ZINC001212032039 752429258 /nfs/dbraw/zinc/42/92/58/752429258.db2.gz GWVZRAWFCVNNOM-HUUCEWRRSA-N 1 2 335.404 0.608 20 30 ECEDLO CCOc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C)C#N)[C@H](OC)C2)n1 ZINC001212039899 752432837 /nfs/dbraw/zinc/43/28/37/752432837.db2.gz XGNXFLDUBCOCOK-BPLDGKMQSA-N 1 2 332.404 0.955 20 30 ECEDLO CCOc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H](C)C#N)[C@H](OC)C2)n1 ZINC001212039899 752432843 /nfs/dbraw/zinc/43/28/43/752432843.db2.gz XGNXFLDUBCOCOK-BPLDGKMQSA-N 1 2 332.404 0.955 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@@H](N(C)c2[nH+]cnc3c2cnn3C)C1 ZINC001098677962 752435805 /nfs/dbraw/zinc/43/58/05/752435805.db2.gz LZSPDOKHVBEZGT-CYBMUJFWSA-N 1 2 344.419 0.993 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCC(=O)NCCC)C2)nn1 ZINC001105364903 752442405 /nfs/dbraw/zinc/44/24/05/752442405.db2.gz CQZCDOLMEDTZFS-UHFFFAOYSA-N 1 2 346.435 0.081 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ncccc3OC)C2)nn1 ZINC001105368144 752467917 /nfs/dbraw/zinc/46/79/17/752467917.db2.gz PVKJVIBEVVZIEB-UHFFFAOYSA-N 1 2 326.360 0.102 20 30 ECEDLO COCc1noc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000988657454 752494585 /nfs/dbraw/zinc/49/45/85/752494585.db2.gz UILKQUNQXYPQPB-ZYHUDNBSSA-N 1 2 344.375 0.809 20 30 ECEDLO N#Cc1cc(C(=O)N[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)c[nH]1 ZINC000937850604 752561581 /nfs/dbraw/zinc/56/15/81/752561581.db2.gz DYPUZFOAVOKUFZ-LBPRGKRZSA-N 1 2 326.360 0.573 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](NC(=O)c2ncc[nH]2)[C@@H](O)C1 ZINC001083447654 752593652 /nfs/dbraw/zinc/59/36/52/752593652.db2.gz BXVOECSCXPNBNJ-KGLIPLIRSA-N 1 2 341.371 0.265 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](NC(=O)c2ncc[nH]2)[C@@H](O)C1 ZINC001083447654 752593656 /nfs/dbraw/zinc/59/36/56/752593656.db2.gz BXVOECSCXPNBNJ-KGLIPLIRSA-N 1 2 341.371 0.265 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000938023159 752658987 /nfs/dbraw/zinc/65/89/87/752658987.db2.gz SJFWYIBMBDKRNZ-ZOBUZTSGSA-N 1 2 346.431 0.972 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2C(C)(C)C2(C)C)[C@H](OC)C1 ZINC001212078544 752709027 /nfs/dbraw/zinc/70/90/27/752709027.db2.gz JZQIGVBDWVRJAU-BFHYXJOUSA-N 1 2 349.475 0.622 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2C(C)(C)C2(C)C)[C@H](OC)C1 ZINC001212078544 752709028 /nfs/dbraw/zinc/70/90/28/752709028.db2.gz JZQIGVBDWVRJAU-BFHYXJOUSA-N 1 2 349.475 0.622 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](NC(=O)/C=C\C2CC2)[C@H](OC)C1 ZINC001212085398 752717277 /nfs/dbraw/zinc/71/72/77/752717277.db2.gz QOLVTHWGEWKKRL-ZJBFNYKTSA-N 1 2 348.447 0.530 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](NC(=O)/C=C\C2CC2)[C@H](OC)C1 ZINC001212085398 752717284 /nfs/dbraw/zinc/71/72/84/752717284.db2.gz QOLVTHWGEWKKRL-ZJBFNYKTSA-N 1 2 348.447 0.530 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cc[nH]c2C)[C@H](OC)C1 ZINC001212094684 752723088 /nfs/dbraw/zinc/72/30/88/752723088.db2.gz BRGYLNPEOQDKCK-NWANDNLSSA-N 1 2 334.420 0.443 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c2C)[C@H](OC)C1 ZINC001212094684 752723094 /nfs/dbraw/zinc/72/30/94/752723094.db2.gz BRGYLNPEOQDKCK-NWANDNLSSA-N 1 2 334.420 0.443 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001007685399 752787292 /nfs/dbraw/zinc/78/72/92/752787292.db2.gz QXRSOWIFXJZSCC-RHSMWYFYSA-N 1 2 345.403 0.263 20 30 ECEDLO N#Cc1nccnc1N[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001058995777 752811362 /nfs/dbraw/zinc/81/13/62/752811362.db2.gz XJFYZJSJZVPTRN-STQMWFEESA-N 1 2 337.387 0.820 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1OC ZINC001212178312 752823758 /nfs/dbraw/zinc/82/37/58/752823758.db2.gz QYFIMVKSMOQNDF-XNJGSVPQSA-N 1 2 341.452 0.044 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1OC ZINC001212178312 752823765 /nfs/dbraw/zinc/82/37/65/752823765.db2.gz QYFIMVKSMOQNDF-XNJGSVPQSA-N 1 2 341.452 0.044 20 30 ECEDLO CCn1ncnc1C[N@@H+]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001028488735 752825074 /nfs/dbraw/zinc/82/50/74/752825074.db2.gz GFSNFVSKKSSMGI-GFCCVEGCSA-N 1 2 327.392 0.750 20 30 ECEDLO CCn1ncnc1C[N@H+]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001028488735 752825080 /nfs/dbraw/zinc/82/50/80/752825080.db2.gz GFSNFVSKKSSMGI-GFCCVEGCSA-N 1 2 327.392 0.750 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001007956739 753130239 /nfs/dbraw/zinc/13/02/39/753130239.db2.gz WFUUWYGFCGCKLQ-ZDUSSCGKSA-N 1 2 349.884 0.745 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001007956739 753130241 /nfs/dbraw/zinc/13/02/41/753130241.db2.gz WFUUWYGFCGCKLQ-ZDUSSCGKSA-N 1 2 349.884 0.745 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2nn(C)cc2Cl)C1 ZINC001051494980 762207675 /nfs/dbraw/zinc/20/76/75/762207675.db2.gz PSPGKPAGKMFJTF-QWRGUYRKSA-N 1 2 325.800 0.550 20 30 ECEDLO C=C(C)CCC(=O)N1CC[C@H](n2cc(C[NH2+]CC(=O)N(C)C)nn2)C1 ZINC001098680354 753398048 /nfs/dbraw/zinc/39/80/48/753398048.db2.gz FOIWYUZZBOVXOB-HNNXBMFYSA-N 1 2 348.451 0.586 20 30 ECEDLO CC1(C)CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001008285526 753549276 /nfs/dbraw/zinc/54/92/76/753549276.db2.gz UWNNGSBCVIYRIF-AWEZNQCLSA-N 1 2 340.387 0.750 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1 ZINC001083349763 753636659 /nfs/dbraw/zinc/63/66/59/753636659.db2.gz OTMLOSFWRQPQEG-CABCVRRESA-N 1 2 341.371 0.265 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](NC(=O)c2ccn[nH]2)[C@@H](O)C1 ZINC001083349763 753636666 /nfs/dbraw/zinc/63/66/66/753636666.db2.gz OTMLOSFWRQPQEG-CABCVRRESA-N 1 2 341.371 0.265 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)CC1(C)C ZINC001008350425 753643438 /nfs/dbraw/zinc/64/34/38/753643438.db2.gz DQPDZWHMOGAYCE-OAHLLOKOSA-N 1 2 328.416 0.729 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)onc3CC)C2)nn1 ZINC001105372644 753674289 /nfs/dbraw/zinc/67/42/89/753674289.db2.gz QSCMDNVXXWWFJM-UHFFFAOYSA-N 1 2 328.376 0.557 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](n2cc(CNCC=C)nn2)C1 ZINC001098683156 753691422 /nfs/dbraw/zinc/69/14/22/753691422.db2.gz RGXIVXFBJCMYAO-SJORKVTESA-N 1 2 342.447 0.425 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](n2cc(CNCC=C)nn2)C1 ZINC001098683156 753691428 /nfs/dbraw/zinc/69/14/28/753691428.db2.gz RGXIVXFBJCMYAO-SJORKVTESA-N 1 2 342.447 0.425 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)[C@H]1CCCOC1 ZINC001083367349 753696855 /nfs/dbraw/zinc/69/68/55/753696855.db2.gz BNJXWMLXKZJZJM-KSZLIROESA-N 1 2 328.412 0.626 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)[C@H]1CCCOC1 ZINC001083367349 753696860 /nfs/dbraw/zinc/69/68/60/753696860.db2.gz BNJXWMLXKZJZJM-KSZLIROESA-N 1 2 328.412 0.626 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CC[C@H]3CC[C@@H](C)O3)C2)nn1 ZINC001105375825 753829513 /nfs/dbraw/zinc/82/95/13/753829513.db2.gz QWCNWCJTTAQFBW-CZUORRHYSA-N 1 2 331.420 0.732 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)nc1 ZINC001014101308 762248946 /nfs/dbraw/zinc/24/89/46/762248946.db2.gz WMKDYGRLFDZMLR-WFASDCNBSA-N 1 2 337.383 0.748 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001014101131 762249250 /nfs/dbraw/zinc/24/92/50/762249250.db2.gz UJUCAIIPWJBWDN-MFKMUULPSA-N 1 2 326.360 0.571 20 30 ECEDLO C#CCOc1ncccc1C(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC000989508476 754051449 /nfs/dbraw/zinc/05/14/49/754051449.db2.gz JVJFLJMECAYAHS-ZDUSSCGKSA-N 1 2 330.388 0.115 20 30 ECEDLO C#CCOc1ncccc1C(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC000989508476 754051455 /nfs/dbraw/zinc/05/14/55/754051455.db2.gz JVJFLJMECAYAHS-ZDUSSCGKSA-N 1 2 330.388 0.115 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+]([C@H]3CCC(=O)NC3=O)CC2)nc1 ZINC000989512471 754063090 /nfs/dbraw/zinc/06/30/90/754063090.db2.gz LGZWAYAUKWCZCE-HNNXBMFYSA-N 1 2 340.383 0.016 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@H+]([C@H]3CCC(=O)NC3=O)CC2)nc1 ZINC000989512471 754063096 /nfs/dbraw/zinc/06/30/96/754063096.db2.gz LGZWAYAUKWCZCE-HNNXBMFYSA-N 1 2 340.383 0.016 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+]([C@H]3CCN(C)C3=O)CC2)nc1 ZINC000989512806 754063764 /nfs/dbraw/zinc/06/37/64/754063764.db2.gz ULXRREOYIISXQK-INIZCTEOSA-N 1 2 326.400 0.442 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@H+]([C@H]3CCN(C)C3=O)CC2)nc1 ZINC000989512806 754063770 /nfs/dbraw/zinc/06/37/70/754063770.db2.gz ULXRREOYIISXQK-INIZCTEOSA-N 1 2 326.400 0.442 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000982895486 754117941 /nfs/dbraw/zinc/11/79/41/754117941.db2.gz UYUOQTYHSGWBOC-IMJJTQAJSA-N 1 2 346.431 0.898 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000982895486 754117943 /nfs/dbraw/zinc/11/79/43/754117943.db2.gz UYUOQTYHSGWBOC-IMJJTQAJSA-N 1 2 346.431 0.898 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CCO[C@H](C[NH2+]Cc3cnsn3)C2)c1 ZINC001051524078 762275093 /nfs/dbraw/zinc/27/50/93/762275093.db2.gz PTRWHPKXLDQZNE-GFCCVEGCSA-N 1 2 332.389 0.369 20 30 ECEDLO C[C@@H]([NH2+]C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1)c1csnn1 ZINC001051524937 762276192 /nfs/dbraw/zinc/27/61/92/762276192.db2.gz YHWOSOQDJHBPNH-PWSUYJOCSA-N 1 2 346.416 0.930 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](Nc2ccncc2C#N)C1 ZINC001059070753 754223168 /nfs/dbraw/zinc/22/31/68/754223168.db2.gz YGCWUMVIWWJVJJ-RRFJBIMHSA-N 1 2 336.399 0.925 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC000989655900 754274223 /nfs/dbraw/zinc/27/42/23/754274223.db2.gz KMPCIEPTMOMUPR-UHFFFAOYSA-N 1 2 326.784 0.386 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC000989655900 754274226 /nfs/dbraw/zinc/27/42/26/754274226.db2.gz KMPCIEPTMOMUPR-UHFFFAOYSA-N 1 2 326.784 0.386 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)cn1 ZINC001009315653 754765589 /nfs/dbraw/zinc/76/55/89/754765589.db2.gz QNGLCTZKSMDGNG-PHZGNYQRSA-N 1 2 349.394 0.463 20 30 ECEDLO Cn1cnnc1C[N@@H+]1CC[C@]2(NC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12 ZINC000990277437 754932752 /nfs/dbraw/zinc/93/27/52/754932752.db2.gz QBGXOFVUKRRIFG-RHSMWYFYSA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1cnnc1C[N@H+]1CC[C@]2(NC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12 ZINC000990277437 754932755 /nfs/dbraw/zinc/93/27/55/754932755.db2.gz QBGXOFVUKRRIFG-RHSMWYFYSA-N 1 2 339.403 0.942 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)C[C@@H]3CCCO3)C2)nn1 ZINC001105379186 755266179 /nfs/dbraw/zinc/26/61/79/755266179.db2.gz RRMIVSQXWAGABH-PBHICJAKSA-N 1 2 345.447 0.980 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H](CNc2ccnc(C#N)n2)C1 ZINC001060041186 755328668 /nfs/dbraw/zinc/32/86/68/755328668.db2.gz QPNLVNUMIHMUDA-ZDUSSCGKSA-N 1 2 339.403 0.397 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(C)n2C)[C@H](OC)C1 ZINC001211842704 755439358 /nfs/dbraw/zinc/43/93/58/755439358.db2.gz ZLOQQFAXJNJFEI-IIAWOOMASA-N 1 2 348.447 0.453 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(C)n2C)[C@H](OC)C1 ZINC001211842704 755439363 /nfs/dbraw/zinc/43/93/63/755439363.db2.gz ZLOQQFAXJNJFEI-IIAWOOMASA-N 1 2 348.447 0.453 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)[C@H]1C ZINC001088763312 755598127 /nfs/dbraw/zinc/59/81/27/755598127.db2.gz AFODMJNRJJCQBJ-WXHSDQCUSA-N 1 2 337.811 0.697 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)[C@H]1C ZINC001088763312 755598128 /nfs/dbraw/zinc/59/81/28/755598128.db2.gz AFODMJNRJJCQBJ-WXHSDQCUSA-N 1 2 337.811 0.697 20 30 ECEDLO CSCCC(=O)N(C)CC[NH+]1CCN(c2ccnc(C#N)n2)CC1 ZINC001102412050 755626205 /nfs/dbraw/zinc/62/62/05/755626205.db2.gz WNNGEHJDYFXDDH-UHFFFAOYSA-N 1 2 348.476 0.682 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)c1 ZINC000990703067 755653343 /nfs/dbraw/zinc/65/33/43/755653343.db2.gz HRTIFYWGYFEXHN-GFCCVEGCSA-N 1 2 338.371 0.286 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@@H]1O ZINC001083525651 755918077 /nfs/dbraw/zinc/91/80/77/755918077.db2.gz DNMAFKXHPQUESI-WBVHZDCISA-N 1 2 343.431 0.691 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@@H]1O ZINC001083525651 755918079 /nfs/dbraw/zinc/91/80/79/755918079.db2.gz DNMAFKXHPQUESI-WBVHZDCISA-N 1 2 343.431 0.691 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001088828323 755956515 /nfs/dbraw/zinc/95/65/15/755956515.db2.gz HJFOWJCMGFMXIG-ONERCXAPSA-N 1 2 345.378 0.458 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001088828323 755956518 /nfs/dbraw/zinc/95/65/18/755956518.db2.gz HJFOWJCMGFMXIG-ONERCXAPSA-N 1 2 345.378 0.458 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2c(C)noc2C)C[C@@H]1O ZINC001083535206 755974421 /nfs/dbraw/zinc/97/44/21/755974421.db2.gz GHGDQSHDPIWCFA-IKGGRYGDSA-N 1 2 346.431 0.050 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2c(C)noc2C)C[C@@H]1O ZINC001083535206 755974424 /nfs/dbraw/zinc/97/44/24/755974424.db2.gz GHGDQSHDPIWCFA-IKGGRYGDSA-N 1 2 346.431 0.050 20 30 ECEDLO N#Cc1nccc(NC[C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)n1 ZINC001060101194 756130386 /nfs/dbraw/zinc/13/03/86/756130386.db2.gz SHGRMZMFNQMVES-ZDUSSCGKSA-N 1 2 339.403 0.777 20 30 ECEDLO N#Cc1nccc(NC[C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)n1 ZINC001060101194 756130390 /nfs/dbraw/zinc/13/03/90/756130390.db2.gz SHGRMZMFNQMVES-ZDUSSCGKSA-N 1 2 339.403 0.777 20 30 ECEDLO C[C@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001060101978 756136839 /nfs/dbraw/zinc/13/68/39/756136839.db2.gz LHZRNVIGXUCVEH-ZIAGYGMSSA-N 1 2 331.420 0.867 20 30 ECEDLO N#Cc1nccc(NC[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)n1 ZINC001060312746 762468817 /nfs/dbraw/zinc/46/88/17/762468817.db2.gz HJKVSLWVQJCSJN-ZDUSSCGKSA-N 1 2 325.376 0.529 20 30 ECEDLO C#CCOCCC(=O)NCC[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001076507904 756579821 /nfs/dbraw/zinc/57/98/21/756579821.db2.gz ZSLBTDJUPPEZLM-HNNXBMFYSA-N 1 2 334.420 0.714 20 30 ECEDLO N#Cc1ccc(C(=O)NC2CN(C(=O)c3cccc4[nH+]ccn43)C2)[nH]1 ZINC000990892569 756711086 /nfs/dbraw/zinc/71/10/86/756711086.db2.gz LFHIMJRNFVEVSK-UHFFFAOYSA-N 1 2 334.339 0.788 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000990891620 756719580 /nfs/dbraw/zinc/71/95/80/756719580.db2.gz DOHBGYFGQKVGCY-CHWSQXEVSA-N 1 2 338.371 0.364 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC001014331035 762500991 /nfs/dbraw/zinc/50/09/91/762500991.db2.gz RXBOILQIFVEHEC-YJBOKZPZSA-N 1 2 326.400 0.936 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001076727866 756923914 /nfs/dbraw/zinc/92/39/14/756923914.db2.gz YKFVVBTWOGRNGL-DZKIICNBSA-N 1 2 334.420 0.875 20 30 ECEDLO O=C(C#CC1CC1)N1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC001011111836 756942494 /nfs/dbraw/zinc/94/24/94/756942494.db2.gz VTVKXGYMWTWWBF-SFHVURJKSA-N 1 2 345.443 0.181 20 30 ECEDLO CC1(C)CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1NCC#N ZINC000996094067 756946770 /nfs/dbraw/zinc/94/67/70/756946770.db2.gz XAPDOACQUIISRM-JKSUJKDBSA-N 1 2 334.464 0.837 20 30 ECEDLO CC1(C)CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C[C@H]1NCC#N ZINC000996094067 756946773 /nfs/dbraw/zinc/94/67/73/756946773.db2.gz XAPDOACQUIISRM-JKSUJKDBSA-N 1 2 334.464 0.837 20 30 ECEDLO Cc1c(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)cnn1C ZINC001076747628 756956634 /nfs/dbraw/zinc/95/66/34/756956634.db2.gz JISKGIBTLRALHW-IAGOWNOFSA-N 1 2 339.399 0.575 20 30 ECEDLO Cc1c(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)cnn1C ZINC001076747628 756956642 /nfs/dbraw/zinc/95/66/42/756956642.db2.gz JISKGIBTLRALHW-IAGOWNOFSA-N 1 2 339.399 0.575 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cccn3)C2)cc1F ZINC001076741761 756960125 /nfs/dbraw/zinc/96/01/25/756960125.db2.gz QYIJYXGYJCMAOS-HZPDHXFCSA-N 1 2 343.362 0.255 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cccn3)C2)cc1F ZINC001076741761 756960131 /nfs/dbraw/zinc/96/01/31/756960131.db2.gz QYIJYXGYJCMAOS-HZPDHXFCSA-N 1 2 343.362 0.255 20 30 ECEDLO CCn1ncc(C[N@H+]2C[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]3C2)n1 ZINC001048778820 756964226 /nfs/dbraw/zinc/96/42/26/756964226.db2.gz HIXXZGYYKDZNDC-OKILXGFUSA-N 1 2 339.403 0.702 20 30 ECEDLO CCn1ncc(C[N@@H+]2C[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]3C2)n1 ZINC001048778820 756964231 /nfs/dbraw/zinc/96/42/31/756964231.db2.gz HIXXZGYYKDZNDC-OKILXGFUSA-N 1 2 339.403 0.702 20 30 ECEDLO C=CCOCC(=O)NCc1cn(C2C[NH+](C[C@H]3CCCCO3)C2)nn1 ZINC001107146509 757039999 /nfs/dbraw/zinc/03/99/99/757039999.db2.gz LTRGSXAPDQKWOS-MRXNPFEDSA-N 1 2 349.435 0.523 20 30 ECEDLO CC(C)COCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)C#N)nn2)C1 ZINC001107149932 757054600 /nfs/dbraw/zinc/05/46/00/757054600.db2.gz VWCQSAURPRJCJU-CYBMUJFWSA-N 1 2 334.424 0.583 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC/C=C/CNc1ncnc2c1C[N@H+](C)CC2 ZINC001107148564 757082370 /nfs/dbraw/zinc/08/23/70/757082370.db2.gz MCTRKDGMWJGDSB-QWNKOJSDSA-N 1 2 345.447 0.876 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC/C=C/CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001107148564 757082378 /nfs/dbraw/zinc/08/23/78/757082378.db2.gz MCTRKDGMWJGDSB-QWNKOJSDSA-N 1 2 345.447 0.876 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)n(C)n1 ZINC001076784723 757112180 /nfs/dbraw/zinc/11/21/80/757112180.db2.gz CIKVJQWERADJPR-UKRRQHHQSA-N 1 2 345.428 0.637 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)n(C)n1 ZINC001076784723 757112185 /nfs/dbraw/zinc/11/21/85/757112185.db2.gz CIKVJQWERADJPR-UKRRQHHQSA-N 1 2 345.428 0.637 20 30 ECEDLO C#CCCCC(=O)NCc1cn(C2C[NH+](CCOCCOC)C2)nn1 ZINC001107164301 757199144 /nfs/dbraw/zinc/19/91/44/757199144.db2.gz ZYNIOGIGCJUNCJ-UHFFFAOYSA-N 1 2 349.435 0.218 20 30 ECEDLO Cn1c[nH+]cc1CN1CC(n2cc(CNC(=O)C#CC3CC3)nn2)C1 ZINC001107169995 757208341 /nfs/dbraw/zinc/20/83/41/757208341.db2.gz YHRLSPOSUHJHIL-UHFFFAOYSA-N 1 2 339.403 0.098 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001107175803 757251609 /nfs/dbraw/zinc/25/16/09/757251609.db2.gz VMPQGZQXRZMOEJ-UHFFFAOYSA-N 1 2 327.816 0.522 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001011239629 757267627 /nfs/dbraw/zinc/26/76/27/757267627.db2.gz XGOWGYCRSJMVCJ-ZDUSSCGKSA-N 1 2 329.404 0.592 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@]3(CC)CCNC3=O)nn2)C1 ZINC001107180101 757298406 /nfs/dbraw/zinc/29/84/06/757298406.db2.gz AJFADRHQOHPUPY-KRWDZBQOSA-N 1 2 346.435 0.243 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C3(CCOC)CC3)nn2)C1 ZINC001107177923 757330209 /nfs/dbraw/zinc/33/02/09/757330209.db2.gz CXKNBLCAFFRSSQ-UHFFFAOYSA-N 1 2 331.420 0.591 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@H]2O)c1 ZINC001076855655 757398213 /nfs/dbraw/zinc/39/82/13/757398213.db2.gz GSOIXGFVWXMYQO-ZIAGYGMSSA-N 1 2 348.794 0.211 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@H]2O)c1 ZINC001076855655 757398220 /nfs/dbraw/zinc/39/82/20/757398220.db2.gz GSOIXGFVWXMYQO-ZIAGYGMSSA-N 1 2 348.794 0.211 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001076872960 757404005 /nfs/dbraw/zinc/40/40/05/757404005.db2.gz ZYQASTJLQBEJHL-HZPDHXFCSA-N 1 2 338.367 0.634 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001076872960 757404009 /nfs/dbraw/zinc/40/40/09/757404009.db2.gz ZYQASTJLQBEJHL-HZPDHXFCSA-N 1 2 338.367 0.634 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCc3cccnc3)nn2)C1 ZINC001107184142 757415261 /nfs/dbraw/zinc/41/52/61/757415261.db2.gz FONLIDJIPHNMLF-UHFFFAOYSA-N 1 2 326.404 0.965 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCCCNC(N)=O)nn2)C1 ZINC001107184683 757416662 /nfs/dbraw/zinc/41/66/62/757416662.db2.gz QVTLHUBNNHENKJ-UHFFFAOYSA-N 1 2 349.439 0.166 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)C3(COC)CC3)nn2)C1 ZINC001107188430 757423923 /nfs/dbraw/zinc/42/39/23/757423923.db2.gz SKIJTGYQRPMYSK-UHFFFAOYSA-N 1 2 349.435 0.380 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3conc3C)nn2)C1 ZINC001107201784 757544812 /nfs/dbraw/zinc/54/48/12/757544812.db2.gz BNCLALBYVFXSGQ-UHFFFAOYSA-N 1 2 346.391 0.564 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C3(c4cc(C)no4)CC3)nn2)C1 ZINC001107198569 757570083 /nfs/dbraw/zinc/57/00/83/757570083.db2.gz LILXZMHSOGWAJM-UHFFFAOYSA-N 1 2 342.403 0.965 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H](C)[C@@H]3CCC(=O)N3)nn2)C1 ZINC001107212141 757743234 /nfs/dbraw/zinc/74/32/34/757743234.db2.gz PJYXMIHTOADPFP-WFASDCNBSA-N 1 2 346.435 0.242 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCCN(C)C(C)=O)nn2)C1 ZINC001107233819 757976678 /nfs/dbraw/zinc/97/66/78/757976678.db2.gz QNRXKLMNPHALRV-UHFFFAOYSA-N 1 2 334.424 0.196 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C)[nH]3)C[C@@H]2C1 ZINC001049111087 757986444 /nfs/dbraw/zinc/98/64/44/757986444.db2.gz JGJCYABLUAJBCW-IVSAIRAKSA-N 1 2 345.447 0.985 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C)[nH]3)C[C@@H]2C1 ZINC001049111087 757986447 /nfs/dbraw/zinc/98/64/47/757986447.db2.gz JGJCYABLUAJBCW-IVSAIRAKSA-N 1 2 345.447 0.985 20 30 ECEDLO C=CCCC[NH+]1CC(n2cc(CNC(=O)Cn3ccnc3C)nn2)C1 ZINC001107236474 758025937 /nfs/dbraw/zinc/02/59/37/758025937.db2.gz XVSHWBMUEGQICY-UHFFFAOYSA-N 1 2 343.435 0.922 20 30 ECEDLO Cc1nnc(C[N@@H+]2C[C@@H]3CN(C(=O)CSCC#N)C[C@]3(C)C2)o1 ZINC001101135720 758103094 /nfs/dbraw/zinc/10/30/94/758103094.db2.gz VXTWNMLAALLCGB-DOMZBBRYSA-N 1 2 335.433 0.915 20 30 ECEDLO Cc1nnc(C[N@H+]2C[C@@H]3CN(C(=O)CSCC#N)C[C@]3(C)C2)o1 ZINC001101135720 758103103 /nfs/dbraw/zinc/10/31/03/758103103.db2.gz VXTWNMLAALLCGB-DOMZBBRYSA-N 1 2 335.433 0.915 20 30 ECEDLO C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001077114303 758218183 /nfs/dbraw/zinc/21/81/83/758218183.db2.gz NAIMUZXJBOXZAB-UONOGXRCSA-N 1 2 334.420 0.659 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001011701749 758353079 /nfs/dbraw/zinc/35/30/79/758353079.db2.gz KSXYZUIIRXBCGO-DGCLKSJQSA-N 1 2 340.387 0.961 20 30 ECEDLO N#Cc1nccnc1NC/C=C/CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001107390289 758417969 /nfs/dbraw/zinc/41/79/69/758417969.db2.gz UEDYUTBTFBNKAS-ZIYVKSGCSA-N 1 2 337.387 0.892 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001077183155 758436965 /nfs/dbraw/zinc/43/69/65/758436965.db2.gz XGKTZWSBTKHRHR-HUUCEWRRSA-N 1 2 339.355 0.029 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001077183155 758436972 /nfs/dbraw/zinc/43/69/72/758436972.db2.gz XGKTZWSBTKHRHR-HUUCEWRRSA-N 1 2 339.355 0.029 20 30 ECEDLO N#Cc1ccc(NC/C=C\CNC(=O)[C@H]2CCc3c[nH+]cn3C2)nn1 ZINC001107393271 758448738 /nfs/dbraw/zinc/44/87/38/758448738.db2.gz BKBACEPAEMOBSR-FYDYADQUSA-N 1 2 337.387 0.892 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N(C)[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC001049268360 758459992 /nfs/dbraw/zinc/45/99/92/758459992.db2.gz MLYJRKXYCKUAGC-KKUMJFAQSA-N 1 2 334.420 0.516 20 30 ECEDLO C=CCCCC(=O)N(C)[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1O ZINC001049355350 758559050 /nfs/dbraw/zinc/55/90/50/758559050.db2.gz BCRQXBBKLUWZKJ-HOTGVXAUSA-N 1 2 348.447 0.739 20 30 ECEDLO Cn1cc(C[N@@H+]2CC[C@H]3[C@H]2CCCN3C(=O)c2ccc(C#N)[nH]2)nn1 ZINC001049425188 758668001 /nfs/dbraw/zinc/66/80/01/758668001.db2.gz LCHUJILQGGXQLU-CVEARBPZSA-N 1 2 339.403 0.894 20 30 ECEDLO Cn1cc(C[N@H+]2CC[C@H]3[C@H]2CCCN3C(=O)c2ccc(C#N)[nH]2)nn1 ZINC001049425188 758668008 /nfs/dbraw/zinc/66/80/08/758668008.db2.gz LCHUJILQGGXQLU-CVEARBPZSA-N 1 2 339.403 0.894 20 30 ECEDLO C#CCCCC(=O)N1CC[C@@H](n2cc(C[NH2+][C@H](C)C(=O)NC)nn2)C1 ZINC001098669210 758826614 /nfs/dbraw/zinc/82/66/14/758826614.db2.gz KGWXVGVINAZFIQ-UKRRQHHQSA-N 1 2 346.435 0.079 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H]2C)nc1 ZINC001011939189 759006024 /nfs/dbraw/zinc/00/60/24/759006024.db2.gz XLGKHYCOMBOARA-IUODEOHRSA-N 1 2 337.383 0.748 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H]1C ZINC001011943031 759015978 /nfs/dbraw/zinc/01/59/78/759015978.db2.gz MRXSZQMPXVPVHX-SMDDNHRTSA-N 1 2 340.387 0.880 20 30 ECEDLO N#Cc1cc(C(=O)N2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)c[nH]1 ZINC001022841206 759162574 /nfs/dbraw/zinc/16/25/74/759162574.db2.gz GSLGRUCTZYIXJB-XHDPSFHLSA-N 1 2 338.371 0.525 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001051687209 762691781 /nfs/dbraw/zinc/69/17/81/762691781.db2.gz VBFGEOURABSJLL-KBPBESRZSA-N 1 2 332.404 0.345 20 30 ECEDLO Cn1cc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)n(C)c1=O ZINC001032211568 759711531 /nfs/dbraw/zinc/71/15/31/759711531.db2.gz REZLRYQZRHGKTR-UHFFFAOYSA-N 1 2 339.399 0.457 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(NC(=O)c3cccc4[nH+]ccn43)C2)nc1 ZINC000995534359 759739875 /nfs/dbraw/zinc/73/98/75/759739875.db2.gz MVCQLFUWCFHXIG-UHFFFAOYSA-N 1 2 345.362 0.965 20 30 ECEDLO O=C(C#CC1CC1)N1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000944655563 759747984 /nfs/dbraw/zinc/74/79/84/759747984.db2.gz ZEFMXEUHEICFJY-RBSFLKMASA-N 1 2 342.399 0.270 20 30 ECEDLO O=C(C#CC1CC1)N1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000944655563 759747993 /nfs/dbraw/zinc/74/79/93/759747993.db2.gz ZEFMXEUHEICFJY-RBSFLKMASA-N 1 2 342.399 0.270 20 30 ECEDLO O=C(C#CC1CC1)N1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000944655564 759748459 /nfs/dbraw/zinc/74/84/59/759748459.db2.gz ZEFMXEUHEICFJY-RRFJBIMHSA-N 1 2 342.399 0.270 20 30 ECEDLO O=C(C#CC1CC1)N1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000944655564 759748465 /nfs/dbraw/zinc/74/84/65/759748465.db2.gz ZEFMXEUHEICFJY-RRFJBIMHSA-N 1 2 342.399 0.270 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C3CCS(=O)(=O)CC3)[C@@H]2C1 ZINC001050154940 759815818 /nfs/dbraw/zinc/81/58/18/759815818.db2.gz VHBHTXLYBNINBU-JKSUJKDBSA-N 1 2 338.473 0.757 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)C3CCS(=O)(=O)CC3)[C@@H]2C1 ZINC001050154940 759815824 /nfs/dbraw/zinc/81/58/24/759815824.db2.gz VHBHTXLYBNINBU-JKSUJKDBSA-N 1 2 338.473 0.757 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H](C)N(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001012497149 760095334 /nfs/dbraw/zinc/09/53/34/760095334.db2.gz INSNHDOBVNHYLE-HZMBPMFUSA-N 1 2 340.387 0.880 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1c1ccc(C#N)nn1 ZINC001050449639 760282892 /nfs/dbraw/zinc/28/28/92/760282892.db2.gz JHQMDMHDSHJARS-RISCZKNCSA-N 1 2 325.376 0.408 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)CSC)nn2)C1 ZINC001107122449 760465769 /nfs/dbraw/zinc/46/57/69/760465769.db2.gz DLDRUBSLHZWIHK-UHFFFAOYSA-N 1 2 325.438 0.317 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC(N)=O ZINC001017431193 767976582 /nfs/dbraw/zinc/97/65/82/767976582.db2.gz AYCOEHNYEGWHJP-GASCZTMLSA-N 1 2 342.399 0.617 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC(N)=O ZINC001017431193 767976589 /nfs/dbraw/zinc/97/65/89/767976589.db2.gz AYCOEHNYEGWHJP-GASCZTMLSA-N 1 2 342.399 0.617 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001050730459 760746096 /nfs/dbraw/zinc/74/60/96/760746096.db2.gz WXWIYQXAZJFJLY-HIFRSBDPSA-N 1 2 346.431 0.654 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001012908044 760803199 /nfs/dbraw/zinc/80/31/99/760803199.db2.gz NSQGJAFETZCDGI-SMDDNHRTSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001012908044 760803212 /nfs/dbraw/zinc/80/32/12/760803212.db2.gz NSQGJAFETZCDGI-SMDDNHRTSA-N 1 2 340.387 0.961 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3ncoc3C)nn2)C1 ZINC001107138786 760983428 /nfs/dbraw/zinc/98/34/28/760983428.db2.gz KLMGQUFJEQAXTN-UHFFFAOYSA-N 1 2 346.391 0.564 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)C2CC2)C[C@H]1OC ZINC001212148126 761247558 /nfs/dbraw/zinc/24/75/58/761247558.db2.gz BIWMFXZFBVQEHB-USXIJHARSA-N 1 2 349.475 0.910 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N[C@@H](C)C2CC2)C[C@H]1OC ZINC001212148126 761247566 /nfs/dbraw/zinc/24/75/66/761247566.db2.gz BIWMFXZFBVQEHB-USXIJHARSA-N 1 2 349.475 0.910 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnc2ccc(OC)nn21 ZINC001050988874 761282213 /nfs/dbraw/zinc/28/22/13/761282213.db2.gz KCMMIGGYMLTMET-ZDUSSCGKSA-N 1 2 345.403 0.745 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnc2ccc(OC)nn21 ZINC001050988874 761282219 /nfs/dbraw/zinc/28/22/19/761282219.db2.gz KCMMIGGYMLTMET-ZDUSSCGKSA-N 1 2 345.403 0.745 20 30 ECEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)c3ccnnc3)CC2)C1 ZINC001105724643 761339366 /nfs/dbraw/zinc/33/93/66/761339366.db2.gz MJWFZZMHLFKOLV-UHFFFAOYSA-N 1 2 346.431 0.985 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001051024040 761354629 /nfs/dbraw/zinc/35/46/29/761354629.db2.gz MAVKYDPJEVMUDW-HUUCEWRRSA-N 1 2 334.420 0.829 20 30 ECEDLO C=CCCOCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001051059838 761415686 /nfs/dbraw/zinc/41/56/86/761415686.db2.gz MBFBOPWGMZZLAP-GJZGRUSLSA-N 1 2 334.420 0.829 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C[C@H]1C ZINC001013494201 761486866 /nfs/dbraw/zinc/48/68/66/761486866.db2.gz ZPEUSCHFWNKTRY-MFKMUULPSA-N 1 2 340.387 0.880 20 30 ECEDLO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cccn(CC(C)C)c1=O ZINC001051149299 761565996 /nfs/dbraw/zinc/56/59/96/761565996.db2.gz FYHXYWHXJGLGNG-MRXNPFEDSA-N 1 2 345.443 0.958 20 30 ECEDLO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccn(CC(C)C)c1=O ZINC001051149299 761566003 /nfs/dbraw/zinc/56/60/03/761566003.db2.gz FYHXYWHXJGLGNG-MRXNPFEDSA-N 1 2 345.443 0.958 20 30 ECEDLO COCc1noc(C[NH2+][C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)n1 ZINC001054587570 768055074 /nfs/dbraw/zinc/05/50/74/768055074.db2.gz MCHATAHLOPCCCO-ZWNOBZJWSA-N 1 2 344.375 0.666 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001078253694 782566275 /nfs/dbraw/zinc/56/62/75/782566275.db2.gz NKDLFPJZNHZSIN-ZIAGYGMSSA-N 1 2 329.360 0.647 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001078253694 782566283 /nfs/dbraw/zinc/56/62/83/782566283.db2.gz NKDLFPJZNHZSIN-ZIAGYGMSSA-N 1 2 329.360 0.647 20 30 ECEDLO CC#CCN1CCOC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001051205323 761684901 /nfs/dbraw/zinc/68/49/01/761684901.db2.gz DAAUUBFIEXLDQB-MRXNPFEDSA-N 1 2 339.399 0.721 20 30 ECEDLO C=CCOCCCC(=O)NC[C@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001105772329 761686514 /nfs/dbraw/zinc/68/65/14/761686514.db2.gz ZOYRSWRZNCAXBB-LBPRGKRZSA-N 1 2 348.407 0.235 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2CC[C@H]2CCOC2)nc1 ZINC001051214310 761704143 /nfs/dbraw/zinc/70/41/43/761704143.db2.gz KQVRATPPOYMGHQ-IRXDYDNUSA-N 1 2 343.427 0.920 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2CC[C@H]2CCOC2)nc1 ZINC001051214310 761704147 /nfs/dbraw/zinc/70/41/47/761704147.db2.gz KQVRATPPOYMGHQ-IRXDYDNUSA-N 1 2 343.427 0.920 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(c2ccc(C#N)cn2)C[C@@H]1O ZINC001051712051 762765827 /nfs/dbraw/zinc/76/58/27/762765827.db2.gz JYEUGBCVCLKWGX-HIFRSBDPSA-N 1 2 340.387 0.283 20 30 ECEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2COC(=O)N2)c1 ZINC001017518533 768079807 /nfs/dbraw/zinc/07/98/07/768079807.db2.gz GZEBRGZXRIGGNA-OWCLPIDISA-N 1 2 340.383 0.842 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2COC(=O)N2)c1 ZINC001017518533 768079812 /nfs/dbraw/zinc/07/98/12/768079812.db2.gz GZEBRGZXRIGGNA-OWCLPIDISA-N 1 2 340.383 0.842 20 30 ECEDLO Cc1nsc(N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](O)C2)c1C#N ZINC001051716837 762784007 /nfs/dbraw/zinc/78/40/07/762784007.db2.gz BKDWVGJPMOSPBA-RYUDHWBXSA-N 1 2 346.416 0.345 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)C1 ZINC001014542432 762807016 /nfs/dbraw/zinc/80/70/16/762807016.db2.gz INJMSGBKEMVVAA-LLVKDONJSA-N 1 2 326.832 0.914 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)C1 ZINC001014542432 762807018 /nfs/dbraw/zinc/80/70/18/762807018.db2.gz INJMSGBKEMVVAA-LLVKDONJSA-N 1 2 326.832 0.914 20 30 ECEDLO Cc1nsc(NC[C@H](O)CNC(=O)CCc2c[nH+]cn2C)c1C#N ZINC001105928258 762839313 /nfs/dbraw/zinc/83/93/13/762839313.db2.gz SDLBFHHLSDYORJ-GFCCVEGCSA-N 1 2 348.432 0.579 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCN(c3cc[nH+]c(C)n3)C[C@H]2O)c1 ZINC001051781263 762938966 /nfs/dbraw/zinc/93/89/66/762938966.db2.gz OYEZCAMXCOFHHD-JKSUJKDBSA-N 1 2 337.383 0.531 20 30 ECEDLO C=CCOc1cccnc1C(=O)NC[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001105959698 763065998 /nfs/dbraw/zinc/06/59/98/763065998.db2.gz PZYRVSWSLPCPKA-ZDUSSCGKSA-N 1 2 343.387 0.948 20 30 ECEDLO N#Cc1nccnc1N1CC=C(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001089840794 763105837 /nfs/dbraw/zinc/10/58/37/763105837.db2.gz ZZVVYXOYQSQQNW-UHFFFAOYSA-N 1 2 337.387 0.957 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3nc(C)no3)C2)nc1 ZINC001051906277 763296295 /nfs/dbraw/zinc/29/62/95/763296295.db2.gz NLKWVZLKJDHVJH-CQSZACIVSA-N 1 2 341.371 0.385 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001014882072 763363039 /nfs/dbraw/zinc/36/30/39/763363039.db2.gz FRGRFGPAGCDKEI-SMDDNHRTSA-N 1 2 340.387 0.961 20 30 ECEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@H]3CC[C@@H]3C(N)=O)C2)c1 ZINC001031900108 763454242 /nfs/dbraw/zinc/45/42/42/763454242.db2.gz YYIWIKYKAJYNCF-GJZGRUSLSA-N 1 2 344.390 0.757 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)CCC2(F)F)c1 ZINC001046970867 763489981 /nfs/dbraw/zinc/48/99/81/763489981.db2.gz PTIIMPRCSZOUJY-CYBMUJFWSA-N 1 2 336.342 0.235 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)CCC2(F)F)c1 ZINC001046970867 763489987 /nfs/dbraw/zinc/48/99/87/763489987.db2.gz PTIIMPRCSZOUJY-CYBMUJFWSA-N 1 2 336.342 0.235 20 30 ECEDLO C=CCN1CC[C@H](N2CC[NH+]([C@@H]3CCN(C(=O)C(C)C)C3)CC2)C1=O ZINC001051984190 763516015 /nfs/dbraw/zinc/51/60/15/763516015.db2.gz DAHFCIUIBQHGAU-SJORKVTESA-N 1 2 348.491 0.648 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCN([C@@H]3CCN(C(=O)C(C)C)C3)CC2)C1=O ZINC001051984190 763516018 /nfs/dbraw/zinc/51/60/18/763516018.db2.gz DAHFCIUIBQHGAU-SJORKVTESA-N 1 2 348.491 0.648 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)CC1 ZINC001051997881 763548409 /nfs/dbraw/zinc/54/84/09/763548409.db2.gz JQBHTPXUWSAISG-ZIAGYGMSSA-N 1 2 340.855 0.236 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cccnc3)C2)CC1 ZINC001052014810 763588614 /nfs/dbraw/zinc/58/86/14/763588614.db2.gz LEPLUVFIMBWXBQ-SFHVURJKSA-N 1 2 326.444 0.866 20 30 ECEDLO C=CCOc1ccccc1C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001014981172 763605325 /nfs/dbraw/zinc/60/53/25/763605325.db2.gz QCOTVDZEJRALGU-UKRRQHHQSA-N 1 2 329.400 0.944 20 30 ECEDLO C=CCOc1ccccc1C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001014981172 763605334 /nfs/dbraw/zinc/60/53/34/763605334.db2.gz QCOTVDZEJRALGU-UKRRQHHQSA-N 1 2 329.400 0.944 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1OC ZINC001212184896 763608345 /nfs/dbraw/zinc/60/83/45/763608345.db2.gz IFYCZKYKRBWKKE-RBSFLKMASA-N 1 2 344.477 0.286 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1OC ZINC001212184896 763608350 /nfs/dbraw/zinc/60/83/50/763608350.db2.gz IFYCZKYKRBWKKE-RBSFLKMASA-N 1 2 344.477 0.286 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(CC)C3)C2)CC1 ZINC001052035111 763640243 /nfs/dbraw/zinc/64/02/43/763640243.db2.gz AHNONSOYPWEWJH-DLBZAZTESA-N 1 2 346.475 0.097 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnc4n3CCC4)C2)CC1 ZINC001052037413 763654888 /nfs/dbraw/zinc/65/48/88/763654888.db2.gz LWNOVIITXPPOOJ-INIZCTEOSA-N 1 2 341.459 0.685 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3c(C)ncn3C)C2)CC1 ZINC001052037425 763655150 /nfs/dbraw/zinc/65/51/50/763655150.db2.gz LYGANTANIQZAPC-INIZCTEOSA-N 1 2 329.448 0.584 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCS2(=O)=O)C(C)(C)C1 ZINC000941232891 763663456 /nfs/dbraw/zinc/66/34/56/763663456.db2.gz QKXHTFITLHARJN-ZIAGYGMSSA-N 1 2 326.462 0.804 20 30 ECEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCS2(=O)=O)C(C)(C)C1 ZINC000941232891 763663460 /nfs/dbraw/zinc/66/34/60/763663460.db2.gz QKXHTFITLHARJN-ZIAGYGMSSA-N 1 2 326.462 0.804 20 30 ECEDLO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3nc(CC)c[nH]3)C2)CC1 ZINC001052041416 763666324 /nfs/dbraw/zinc/66/63/24/763666324.db2.gz HNGVHXKUVBPWKF-MRXNPFEDSA-N 1 2 331.464 0.919 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3cncs3)C2)CC1 ZINC001052041421 763667054 /nfs/dbraw/zinc/66/70/54/763667054.db2.gz HSLDORJFFNBPNN-HNNXBMFYSA-N 1 2 332.473 0.927 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cn(C)nc3CC)C2)CC1 ZINC001052041615 763668090 /nfs/dbraw/zinc/66/80/90/763668090.db2.gz MUQFAYVCLBEBTM-HNNXBMFYSA-N 1 2 329.448 0.448 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1 ZINC000941265153 763680932 /nfs/dbraw/zinc/68/09/32/763680932.db2.gz FYLXFDXDTRYFBV-BZUAXINKSA-N 1 2 349.394 0.920 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1 ZINC000941265153 763680934 /nfs/dbraw/zinc/68/09/34/763680934.db2.gz FYLXFDXDTRYFBV-BZUAXINKSA-N 1 2 349.394 0.920 20 30 ECEDLO CCc1nnc(C)cc1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052044938 763681338 /nfs/dbraw/zinc/68/13/38/763681338.db2.gz NWROHEXKOGHYRZ-HNNXBMFYSA-N 1 2 342.447 0.703 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)C2)CC1 ZINC001052045645 763683493 /nfs/dbraw/zinc/68/34/93/763683493.db2.gz VRUYWYASSXNGAX-IAGOWNOFSA-N 1 2 348.491 0.649 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001052046326 763687545 /nfs/dbraw/zinc/68/75/45/763687545.db2.gz ZGGTURIVGMRWHB-QWHCGFSZSA-N 1 2 349.460 0.430 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccnnc3C)C2)CC1 ZINC001052046724 763688580 /nfs/dbraw/zinc/68/85/80/763688580.db2.gz CVVNTAUQZKDITN-MRXNPFEDSA-N 1 2 327.432 0.640 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn(C)c3CC)C2)CC1 ZINC001052047952 763692295 /nfs/dbraw/zinc/69/22/95/763692295.db2.gz GOONCVNZKVBPIH-INIZCTEOSA-N 1 2 343.475 0.838 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)CN3CCCCC3=O)C2)CC1 ZINC001052048632 763697987 /nfs/dbraw/zinc/69/79/87/763697987.db2.gz ZIRQCARRMDKSCP-QGZVFWFLSA-N 1 2 348.491 0.794 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(OCC)no3)C2)CC1 ZINC001052048945 763699847 /nfs/dbraw/zinc/69/98/47/763699847.db2.gz HHDAGZIVWKHKJD-AWEZNQCLSA-N 1 2 332.404 0.539 20 30 ECEDLO N#Cc1cccnc1NC[C@H](O)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001106016804 763700495 /nfs/dbraw/zinc/70/04/95/763700495.db2.gz XTXOPQXGEWEYRT-ZFWWWQNUSA-N 1 2 340.387 0.301 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C2)CC1 ZINC001052050036 763705191 /nfs/dbraw/zinc/70/51/91/763705191.db2.gz RGOAMGCGEXJFPD-AWEZNQCLSA-N 1 2 344.419 0.021 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001052051741 763712760 /nfs/dbraw/zinc/71/27/60/763712760.db2.gz VIJXEWWAKREFHJ-RYUDHWBXSA-N 1 2 335.433 0.420 20 30 ECEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)nc1 ZINC001106015711 763718045 /nfs/dbraw/zinc/71/80/45/763718045.db2.gz LYWUBNCWMQJNNX-UKRRQHHQSA-N 1 2 340.387 0.301 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(CC(=O)NC)CC2)C1 ZINC001052059132 763736386 /nfs/dbraw/zinc/73/63/86/763736386.db2.gz CENRLHNLTVJEOJ-OAHLLOKOSA-N 1 2 336.480 0.553 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(CC(=O)NC3CC3)CC2)C1 ZINC001052062651 763747072 /nfs/dbraw/zinc/74/70/72/763747072.db2.gz MMJLMXLKRMLNOJ-MRXNPFEDSA-N 1 2 348.491 0.696 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCn3cccc3)C2)nn1 ZINC001098758003 763747645 /nfs/dbraw/zinc/74/76/45/763747645.db2.gz VLGXYTGVZKSEMO-INIZCTEOSA-N 1 2 326.404 0.666 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@H]([NH+]3CCN([C@@H](C)C(=O)NC)CC3)C2)C1 ZINC001052081515 763799471 /nfs/dbraw/zinc/79/94/71/763799471.db2.gz MTZIHEBDJPFIHF-HOTGVXAUSA-N 1 2 348.491 0.696 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@H](N3CC[NH+]([C@@H](C)C(=O)NC)CC3)C2)C1 ZINC001052081515 763799473 /nfs/dbraw/zinc/79/94/73/763799473.db2.gz MTZIHEBDJPFIHF-HOTGVXAUSA-N 1 2 348.491 0.696 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N2CC[NH+](CC#CC)CC2)C1 ZINC001052089585 763824302 /nfs/dbraw/zinc/82/43/02/763824302.db2.gz RMXLAMJKKRTOQM-KSZLIROESA-N 1 2 331.460 0.819 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn(CCC)c3)C2)CC1 ZINC001052089205 763824327 /nfs/dbraw/zinc/82/43/27/763824327.db2.gz PRVHHLWHCMJKPZ-KRWDZBQOSA-N 1 2 329.448 0.758 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3coc(C4CC4)n3)C2)CC1 ZINC001052092975 763834354 /nfs/dbraw/zinc/83/43/54/763834354.db2.gz IACKXIKWEKCYER-CQSZACIVSA-N 1 2 329.404 0.908 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnc4cccnn34)C2)CC1 ZINC001052094455 763840206 /nfs/dbraw/zinc/84/02/06/763840206.db2.gz SZWPNVCGCHSXOS-OAHLLOKOSA-N 1 2 338.415 0.195 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn(CCC)nn3)C2)CC1 ZINC001052102376 763867138 /nfs/dbraw/zinc/86/71/38/763867138.db2.gz FKFYLRRKLRYFPV-INIZCTEOSA-N 1 2 344.463 0.544 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn(C(C)C)nn3)C2)CC1 ZINC001052103090 763868270 /nfs/dbraw/zinc/86/82/70/763868270.db2.gz LOWZWLQHESCHHG-INIZCTEOSA-N 1 2 344.463 0.714 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCCC(=O)N3C)C2)CC1 ZINC001052112832 763909712 /nfs/dbraw/zinc/90/97/12/763909712.db2.gz FRSZSZKBMFREDR-IAGOWNOFSA-N 1 2 348.491 0.792 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn4ccccc4n3)C2)CC1 ZINC001052113225 763910809 /nfs/dbraw/zinc/91/08/09/763910809.db2.gz POLSDDNYAJWINN-OAHLLOKOSA-N 1 2 338.415 0.690 20 30 ECEDLO CN(C(=O)[C@H]1CCCO1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@@H]1O ZINC001047296052 763913465 /nfs/dbraw/zinc/91/34/65/763913465.db2.gz VIJNOIUHQWIZNH-YESZJQIVSA-N 1 2 347.390 0.880 20 30 ECEDLO CN(C(=O)[C@H]1CCCO1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H]1O ZINC001047296052 763913469 /nfs/dbraw/zinc/91/34/69/763913469.db2.gz VIJNOIUHQWIZNH-YESZJQIVSA-N 1 2 347.390 0.880 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cccnc3C(N)=O)C2)CC1 ZINC001052119644 763936615 /nfs/dbraw/zinc/93/66/15/763936615.db2.gz TVFRZGPIFPSUMG-AWEZNQCLSA-N 1 2 343.431 0.199 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(CC=C)C2=O)C[C@H]1OC ZINC001212187478 764021277 /nfs/dbraw/zinc/02/12/77/764021277.db2.gz VDIGOUBBALABMX-OWCLPIDISA-N 1 2 333.432 0.392 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(CC=C)C2=O)C[C@H]1OC ZINC001212187478 764021284 /nfs/dbraw/zinc/02/12/84/764021284.db2.gz VDIGOUBBALABMX-OWCLPIDISA-N 1 2 333.432 0.392 20 30 ECEDLO N#CCSCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001047340832 764052960 /nfs/dbraw/zinc/05/29/60/764052960.db2.gz MBLBSJYGMPTVED-SCRDCRAPSA-N 1 2 347.444 0.705 20 30 ECEDLO C=CC(C)(C)C(=O)N(CCO)CCNc1[nH+]cnc2c1cnn2C ZINC001111537966 764172606 /nfs/dbraw/zinc/17/26/06/764172606.db2.gz WCMDLAKFNNXZQT-UHFFFAOYSA-N 1 2 332.408 0.808 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2cc(C)no2)C[C@@H]1O ZINC001047384024 764178575 /nfs/dbraw/zinc/17/85/75/764178575.db2.gz RRMBJLAFOSPQHF-QZWWFDLISA-N 1 2 349.431 0.968 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2cc(C)no2)C[C@@H]1O ZINC001047384024 764178579 /nfs/dbraw/zinc/17/85/79/764178579.db2.gz RRMBJLAFOSPQHF-QZWWFDLISA-N 1 2 349.431 0.968 20 30 ECEDLO Cn1ncnc1C[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001052315527 764237479 /nfs/dbraw/zinc/23/74/79/764237479.db2.gz QVOYGPWEBOBSLT-ZDUSSCGKSA-N 1 2 327.392 0.799 20 30 ECEDLO Cn1ncnc1C[N@H+]1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001052315527 764237484 /nfs/dbraw/zinc/23/74/84/764237484.db2.gz QVOYGPWEBOBSLT-ZDUSSCGKSA-N 1 2 327.392 0.799 20 30 ECEDLO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001052319561 764243729 /nfs/dbraw/zinc/24/37/29/764243729.db2.gz DHZGOXKSUJKVJR-TZMCWYRMSA-N 1 2 340.387 0.607 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NC[C@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001106066242 764273091 /nfs/dbraw/zinc/27/30/91/764273091.db2.gz AIHMDDIYGYESJN-NWDGAFQWSA-N 1 2 332.408 0.855 20 30 ECEDLO C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1CN(c1ccc(C#N)nn1)C2 ZINC001052380054 764370853 /nfs/dbraw/zinc/37/08/53/764370853.db2.gz CWRHTMGOIVIPHV-DYVFJYSZSA-N 1 2 337.387 0.530 20 30 ECEDLO CN(C(=O)[C@]1(F)CCOC1)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047502723 764532057 /nfs/dbraw/zinc/53/20/57/764532057.db2.gz PZBVWWASYVDCDU-LNLFQRSKSA-N 1 2 346.402 0.670 20 30 ECEDLO CN(C(=O)[C@]1(F)CCOC1)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047502723 764532061 /nfs/dbraw/zinc/53/20/61/764532061.db2.gz PZBVWWASYVDCDU-LNLFQRSKSA-N 1 2 346.402 0.670 20 30 ECEDLO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@@H]2O)C1 ZINC001047516174 764565785 /nfs/dbraw/zinc/56/57/85/764565785.db2.gz VTCGCQDMOIBLNX-HOTGVXAUSA-N 1 2 349.475 0.859 20 30 ECEDLO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@@H]2O)C1 ZINC001047516174 764565791 /nfs/dbraw/zinc/56/57/91/764565791.db2.gz VTCGCQDMOIBLNX-HOTGVXAUSA-N 1 2 349.475 0.859 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)[C@H]2C[N@H+](Cc3conc3C)C[C@@H]2O)c1 ZINC001047521143 764579557 /nfs/dbraw/zinc/57/95/57/764579557.db2.gz LRVCWIHVEVILPI-IRXDYDNUSA-N 1 2 340.383 0.677 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)[C@H]2C[N@@H+](Cc3conc3C)C[C@@H]2O)c1 ZINC001047521143 764579561 /nfs/dbraw/zinc/57/95/61/764579561.db2.gz LRVCWIHVEVILPI-IRXDYDNUSA-N 1 2 340.383 0.677 20 30 ECEDLO Cc1cc(C#N)nc(NCC[C@H](C)NC(=O)Cc2c[nH+]cn2C)n1 ZINC001106381683 768226698 /nfs/dbraw/zinc/22/66/98/768226698.db2.gz PHOVBIYNIDGIIE-NSHDSACASA-N 1 2 327.392 0.940 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2C(F)(F)F)C1 ZINC001047543924 764646010 /nfs/dbraw/zinc/64/60/10/764646010.db2.gz JJDYNPMIUIBSJK-RYUDHWBXSA-N 1 2 327.306 0.851 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2C(F)(F)F)C1 ZINC001047543924 764646016 /nfs/dbraw/zinc/64/60/16/764646016.db2.gz JJDYNPMIUIBSJK-RYUDHWBXSA-N 1 2 327.306 0.851 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](C)CCCOC)C2)nn1 ZINC001098769180 764695826 /nfs/dbraw/zinc/69/58/26/764695826.db2.gz ZGYOUJPGDANCGV-HOCLYGCPSA-N 1 2 333.436 0.837 20 30 ECEDLO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001052547379 764731030 /nfs/dbraw/zinc/73/10/30/764731030.db2.gz FJARTMLHTNHIKD-ZBFHGGJFSA-N 1 2 342.443 0.977 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](CCS(C)(=O)=O)[C@@H]1C ZINC001089006798 764760624 /nfs/dbraw/zinc/76/06/24/764760624.db2.gz YLVVYPYBLRCTGC-PBHICJAKSA-N 1 2 348.468 0.834 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](CCS(C)(=O)=O)[C@@H]1C ZINC001089006798 764760626 /nfs/dbraw/zinc/76/06/26/764760626.db2.gz YLVVYPYBLRCTGC-PBHICJAKSA-N 1 2 348.468 0.834 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)c(F)c1 ZINC001015513101 764845171 /nfs/dbraw/zinc/84/51/71/764845171.db2.gz ZYATZHZDXHNQJC-UONOGXRCSA-N 1 2 330.363 0.524 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)c(F)c1 ZINC001015513101 764845178 /nfs/dbraw/zinc/84/51/78/764845178.db2.gz ZYATZHZDXHNQJC-UONOGXRCSA-N 1 2 330.363 0.524 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)c(F)c1 ZINC001015513100 764845248 /nfs/dbraw/zinc/84/52/48/764845248.db2.gz ZYATZHZDXHNQJC-KGLIPLIRSA-N 1 2 330.363 0.524 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)c(F)c1 ZINC001015513100 764845256 /nfs/dbraw/zinc/84/52/56/764845256.db2.gz ZYATZHZDXHNQJC-KGLIPLIRSA-N 1 2 330.363 0.524 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)[nH]1 ZINC001015592093 765019942 /nfs/dbraw/zinc/01/99/42/765019942.db2.gz UVMHDSWAELKWRT-RYUDHWBXSA-N 1 2 340.387 0.867 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cnn(C)n2)CC1 ZINC001052721173 765042311 /nfs/dbraw/zinc/04/23/11/765042311.db2.gz AIGSFNAUGJXUIL-BMFZPTHFSA-N 1 2 333.436 0.877 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cnn(C)n2)CC1 ZINC001052721173 765042315 /nfs/dbraw/zinc/04/23/15/765042315.db2.gz AIGSFNAUGJXUIL-BMFZPTHFSA-N 1 2 333.436 0.877 20 30 ECEDLO C[C@]1(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)CCNC1=O ZINC001015696172 765179165 /nfs/dbraw/zinc/17/91/65/765179165.db2.gz WGSOBYGWOMGVLR-APWZRJJASA-N 1 2 343.402 0.894 20 30 ECEDLO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)CCNC1=O ZINC001015696172 765179170 /nfs/dbraw/zinc/17/91/70/765179170.db2.gz WGSOBYGWOMGVLR-APWZRJJASA-N 1 2 343.402 0.894 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CNC(=O)C#CC1CC1 ZINC001053031157 765503349 /nfs/dbraw/zinc/50/33/49/765503349.db2.gz DOYBYAGTXDYJLV-UKRRQHHQSA-N 1 2 328.416 0.587 20 30 ECEDLO C=CCCOCC(=O)NC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001053034520 765508720 /nfs/dbraw/zinc/50/87/20/765508720.db2.gz RKDFVJLFWKVUPV-HUUCEWRRSA-N 1 2 348.447 0.766 20 30 ECEDLO C#CCOCCC(=O)NC[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001053107958 765584433 /nfs/dbraw/zinc/58/44/33/765584433.db2.gz DXUJEXBKNBPWIJ-ZFWWWQNUSA-N 1 2 346.431 0.511 20 30 ECEDLO C=CCCOCC(=O)NC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001053268149 765872407 /nfs/dbraw/zinc/87/24/07/765872407.db2.gz OMNDEWCRHDXARG-ZIAGYGMSSA-N 1 2 334.420 0.756 20 30 ECEDLO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC1CS(=O)(=O)C1 ZINC001099130150 765893597 /nfs/dbraw/zinc/89/35/97/765893597.db2.gz HEHFSLCQWWLZHF-AWEZNQCLSA-N 1 2 326.462 0.661 20 30 ECEDLO C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC1CS(=O)(=O)C1 ZINC001099130150 765893602 /nfs/dbraw/zinc/89/36/02/765893602.db2.gz HEHFSLCQWWLZHF-AWEZNQCLSA-N 1 2 326.462 0.661 20 30 ECEDLO C=C(C)CN1CC2(C1)CN(C(=O)[C@@H]1CCn3c[nH+]cc3C1)CCO2 ZINC001053312158 765950777 /nfs/dbraw/zinc/95/07/77/765950777.db2.gz HWIGCRMMNCMULA-OAHLLOKOSA-N 1 2 330.432 0.935 20 30 ECEDLO CC#CCN1CC2(C1)CN(C(=O)[C@@H]1CCc3[nH+]ccn3C1)CCO2 ZINC001053314891 765955253 /nfs/dbraw/zinc/95/52/53/765955253.db2.gz YFXAZIHXXKJDFN-OAHLLOKOSA-N 1 2 328.416 0.382 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc(C(N)=O)cn1C)CCO2 ZINC001053328559 765981744 /nfs/dbraw/zinc/98/17/44/765981744.db2.gz ACVRYVLKXWYEFE-UHFFFAOYSA-N 1 2 332.404 0.227 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 ZINC001053369656 766044978 /nfs/dbraw/zinc/04/49/78/766044978.db2.gz CSYHSKSSKHTPTH-UHFFFAOYSA-N 1 2 327.388 0.832 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C(=O)N1CCC[C@@H](C)C1)CCO2 ZINC001053461148 766170955 /nfs/dbraw/zinc/17/09/55/766170955.db2.gz OJBHKAPSWYBTIW-OAHLLOKOSA-N 1 2 335.448 0.734 20 30 ECEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(=O)[nH]c(C)cn2n1 ZINC001017769990 768357155 /nfs/dbraw/zinc/35/71/55/768357155.db2.gz WEIFPIZGLPAOPQ-BETUJISGSA-N 1 2 327.388 0.806 20 30 ECEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(=O)[nH]c(C)cn2n1 ZINC001017769990 768357160 /nfs/dbraw/zinc/35/71/60/768357160.db2.gz WEIFPIZGLPAOPQ-BETUJISGSA-N 1 2 327.388 0.806 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CCn1cnccc1=O)CCO2 ZINC001053487669 766223927 /nfs/dbraw/zinc/22/39/27/766223927.db2.gz PORQPZMTVDDOAK-UHFFFAOYSA-N 1 2 332.404 0.123 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3nn(CC)nc3C)C2)C1=O ZINC001016425549 766277211 /nfs/dbraw/zinc/27/72/11/766277211.db2.gz ZSYWTLOUUKTECS-KGLIPLIRSA-N 1 2 346.435 0.197 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3nn(CC)nc3C)C2)C1=O ZINC001016425549 766277212 /nfs/dbraw/zinc/27/72/12/766277212.db2.gz ZSYWTLOUUKTECS-KGLIPLIRSA-N 1 2 346.435 0.197 20 30 ECEDLO C=CCN1CC2(C1)CN(C(=O)[C@@H](c1cccnc1)[NH+](C)C)CCO2 ZINC001053542917 766309276 /nfs/dbraw/zinc/30/92/76/766309276.db2.gz QJOWEAVASGTEGP-MRXNPFEDSA-N 1 2 330.432 0.784 20 30 ECEDLO C=CCN1CC2(C1)CN(C(=O)[C@H](c1cccnc1)[NH+](C)C)CCO2 ZINC001053542916 766309773 /nfs/dbraw/zinc/30/97/73/766309773.db2.gz QJOWEAVASGTEGP-INIZCTEOSA-N 1 2 330.432 0.784 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001045777217 766357472 /nfs/dbraw/zinc/35/74/72/766357472.db2.gz GDKKXUAAFPFMSZ-QGZVFWFLSA-N 1 2 348.447 0.979 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC(=O)N(C(C)C)C1)O2 ZINC001053604393 766413996 /nfs/dbraw/zinc/41/39/96/766413996.db2.gz DZIWVCSLTALHDQ-CABCVRRESA-N 1 2 335.448 0.779 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc3n(n1)CCO3)O2 ZINC001053610446 766429299 /nfs/dbraw/zinc/42/92/99/766429299.db2.gz PWIRTNFXAODTCG-CYBMUJFWSA-N 1 2 332.404 0.815 20 30 ECEDLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CCCC2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212251315 766442151 /nfs/dbraw/zinc/44/21/51/766442151.db2.gz WPWWJJVOSOMKQI-KBRIMQKVSA-N 1 2 347.459 0.663 20 30 ECEDLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CCCC2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212251315 766442159 /nfs/dbraw/zinc/44/21/59/766442159.db2.gz WPWWJJVOSOMKQI-KBRIMQKVSA-N 1 2 347.459 0.663 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CN(C)C[C@@H](C)O1)O2 ZINC001053618131 766443997 /nfs/dbraw/zinc/44/39/97/766443997.db2.gz QEVDELLOQNMJSZ-OWCLPIDISA-N 1 2 337.464 0.631 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCc3nncn3CC1)O2 ZINC001053632222 766480507 /nfs/dbraw/zinc/48/05/07/766480507.db2.gz VKICNFJKLGUHSG-CABCVRRESA-N 1 2 345.447 0.766 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccn3nnnc3c1)O2 ZINC001053634104 766483426 /nfs/dbraw/zinc/48/34/26/766483426.db2.gz JVZVNDQWXNGMEX-AWEZNQCLSA-N 1 2 342.403 0.664 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1CCS(=O)(=O)CC1)O2 ZINC001053670111 766549097 /nfs/dbraw/zinc/54/90/97/766549097.db2.gz KQKQFRGIMXGMCY-AWEZNQCLSA-N 1 2 342.461 0.347 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1nc3ncccn3n1)O2 ZINC001053678105 766563410 /nfs/dbraw/zinc/56/34/10/766563410.db2.gz PDBDIFVEPUZBGD-CYBMUJFWSA-N 1 2 342.403 0.664 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1nccnc1C(N)=O)O2 ZINC001053693734 766602611 /nfs/dbraw/zinc/60/26/11/766602611.db2.gz DFXIRKWTVCWBGU-GFCCVEGCSA-N 1 2 345.403 0.115 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001212258433 766605903 /nfs/dbraw/zinc/60/59/03/766605903.db2.gz SUTKKRDNKMXQQC-BHIYHBOVSA-N 1 2 340.423 0.892 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001212258433 766605910 /nfs/dbraw/zinc/60/59/10/766605910.db2.gz SUTKKRDNKMXQQC-BHIYHBOVSA-N 1 2 340.423 0.892 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cncc(C(N)=O)c1)O2 ZINC001053699334 766615807 /nfs/dbraw/zinc/61/58/07/766615807.db2.gz CXYIWAQGLDPJOZ-HNNXBMFYSA-N 1 2 344.415 0.720 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCC(=O)N(C)C1)O2 ZINC001053701044 766622111 /nfs/dbraw/zinc/62/21/11/766622111.db2.gz KTHSZNQMTBPSDH-HUUCEWRRSA-N 1 2 335.448 0.781 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCc3nncn3C1)O2 ZINC001053701126 766622149 /nfs/dbraw/zinc/62/21/49/766622149.db2.gz MYOYSRQKFHIOFJ-CABCVRRESA-N 1 2 345.447 0.766 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ccn(C)n3)C2)nn1 ZINC001098779125 766622083 /nfs/dbraw/zinc/62/20/83/766622083.db2.gz DYVAFOOKHRZGID-AWEZNQCLSA-N 1 2 327.392 0.212 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCC(=O)N(C)C1)O2 ZINC001053701043 766622297 /nfs/dbraw/zinc/62/22/97/766622297.db2.gz KTHSZNQMTBPSDH-GJZGRUSLSA-N 1 2 335.448 0.781 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ncccn3)C2)CC1 ZINC001046012468 766640425 /nfs/dbraw/zinc/64/04/25/766640425.db2.gz OLDGCBQRBBARLG-LSDHHAIUSA-N 1 2 328.420 0.355 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ncccn3)C2)CC1 ZINC001046012468 766640427 /nfs/dbraw/zinc/64/04/27/766640427.db2.gz OLDGCBQRBBARLG-LSDHHAIUSA-N 1 2 328.420 0.355 20 30 ECEDLO CN1C[C@@H](C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)CC1=O ZINC001031712238 766686840 /nfs/dbraw/zinc/68/68/40/766686840.db2.gz UCRYGBKZWVJQED-HNNXBMFYSA-N 1 2 344.390 0.724 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cnn4ncccc34)CC2)C1 ZINC001046036239 766725450 /nfs/dbraw/zinc/72/54/50/766725450.db2.gz DLFDRDXXICZPDR-CQSZACIVSA-N 1 2 339.403 0.085 20 30 ECEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1OC ZINC001213271439 766735925 /nfs/dbraw/zinc/73/59/25/766735925.db2.gz YQKMLACQIXBQLK-OWCLPIDISA-N 1 2 335.448 0.616 20 30 ECEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1OC ZINC001213271439 766735928 /nfs/dbraw/zinc/73/59/28/766735928.db2.gz YQKMLACQIXBQLK-OWCLPIDISA-N 1 2 335.448 0.616 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3ccc4nc[nH]c4n3)CC2)C1 ZINC001046038676 766738801 /nfs/dbraw/zinc/73/88/01/766738801.db2.gz HYPOQLTWPUEGOM-CYBMUJFWSA-N 1 2 339.403 0.314 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3CCn4cncc4C3)CC2)C1 ZINC001046038652 766739611 /nfs/dbraw/zinc/73/96/11/766739611.db2.gz HFFUAOTYQBDMCU-HZPDHXFCSA-N 1 2 342.447 0.188 20 30 ECEDLO CCc1cc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)c(C)nn1 ZINC001046048551 766779893 /nfs/dbraw/zinc/77/98/93/766779893.db2.gz YVMKLYKMOJJHEN-INIZCTEOSA-N 1 2 342.447 0.703 20 30 ECEDLO CC(C)N1C(=O)CC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046054893 766803757 /nfs/dbraw/zinc/80/37/57/766803757.db2.gz CWDRJUYSHCYLFZ-CVEARBPZSA-N 1 2 347.463 0.128 20 30 ECEDLO C[C@@H](C#N)C(=O)N(C)CCOCCNc1ncnc2c1C[N@H+](C)CC2 ZINC001127258346 766837599 /nfs/dbraw/zinc/83/75/99/766837599.db2.gz CNCMSYPOAWPSGH-ZDUSSCGKSA-N 1 2 346.435 0.511 20 30 ECEDLO C[C@@H](C#N)C(=O)N(C)CCOCCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001127258346 766837607 /nfs/dbraw/zinc/83/76/07/766837607.db2.gz CNCMSYPOAWPSGH-ZDUSSCGKSA-N 1 2 346.435 0.511 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn(CCOC)nc1C)CO2 ZINC001053799948 766880032 /nfs/dbraw/zinc/88/00/32/766880032.db2.gz FWCATSOIBCZQJA-OAHLLOKOSA-N 1 2 346.431 0.434 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cn(CCOC)nc1C)CO2 ZINC001053800185 766881275 /nfs/dbraw/zinc/88/12/75/766881275.db2.gz KRTHJIAOKYIRIN-HNNXBMFYSA-N 1 2 348.447 0.987 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnn(CCOC)c1C)CO2 ZINC001053800183 766881301 /nfs/dbraw/zinc/88/13/01/766881301.db2.gz KRCCXOZABVNTMN-HNNXBMFYSA-N 1 2 346.431 0.434 20 30 ECEDLO C#CCN1CC2(C1)C[C@@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)CO2 ZINC001053807196 766898698 /nfs/dbraw/zinc/89/86/98/766898698.db2.gz DCVLLZAEQUYNIY-OAHLLOKOSA-N 1 2 328.416 0.355 20 30 ECEDLO Cn1nc2c(c1C(=O)N1CC[NH+]([C@H]3CCN(CC#N)C3)CC1)CCC2 ZINC001046077232 766906811 /nfs/dbraw/zinc/90/68/11/766906811.db2.gz SUYPWTBLYZIIIY-AWEZNQCLSA-N 1 2 342.447 0.264 20 30 ECEDLO Cn1cc(CCC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)cn1 ZINC001046084659 766924728 /nfs/dbraw/zinc/92/47/28/766924728.db2.gz ASAQLMTTZSYMII-MRXNPFEDSA-N 1 2 330.436 0.095 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC(=O)N(CC(C)C)C1)CO2 ZINC001053820431 766933604 /nfs/dbraw/zinc/93/36/04/766933604.db2.gz BOEMGFVOXZRDHR-JKSUJKDBSA-N 1 2 347.459 0.474 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCn3nccc31)CO2 ZINC001053851204 767018506 /nfs/dbraw/zinc/01/85/06/767018506.db2.gz NMRPDCKGVPJLJN-GJZGRUSLSA-N 1 2 328.416 0.743 20 30 ECEDLO C=C(C)CN1CC2(C1)C[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)CO2 ZINC001053854264 767029470 /nfs/dbraw/zinc/02/94/70/767029470.db2.gz URIWFFIDUYIJSB-CYBMUJFWSA-N 1 2 334.420 0.885 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC(N)=O)c1 ZINC001089690736 767058207 /nfs/dbraw/zinc/05/82/07/767058207.db2.gz DJSKCQQOPBNJOW-HNNXBMFYSA-N 1 2 328.416 0.769 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC(N)=O)c1 ZINC001089690736 767058214 /nfs/dbraw/zinc/05/82/14/767058214.db2.gz DJSKCQQOPBNJOW-HNNXBMFYSA-N 1 2 328.416 0.769 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@@H]3C)C2)cc1C#N ZINC001077524108 767066768 /nfs/dbraw/zinc/06/67/68/767066768.db2.gz XNGCQNSFKBPVRD-DANNLKNASA-N 1 2 329.400 0.884 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@@H]3C)C2)cc1C#N ZINC001077524108 767066778 /nfs/dbraw/zinc/06/67/78/767066778.db2.gz XNGCQNSFKBPVRD-DANNLKNASA-N 1 2 329.400 0.884 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C(F)F)nn1C)CO2 ZINC001053869052 767081536 /nfs/dbraw/zinc/08/15/36/767081536.db2.gz CPZUHLGTJCUZQK-LLVKDONJSA-N 1 2 338.358 0.954 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3nc(C)nn3C1)CO2 ZINC001053878869 767127381 /nfs/dbraw/zinc/12/73/81/767127381.db2.gz LHVSQAUSKARUAK-GJZGRUSLSA-N 1 2 343.431 0.132 20 30 ECEDLO C[C@@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046289458 767129990 /nfs/dbraw/zinc/12/99/90/767129990.db2.gz VOHLPQDWNOVFNP-RHSMWYFYSA-N 1 2 346.362 0.886 20 30 ECEDLO C[C@@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046289458 767129993 /nfs/dbraw/zinc/12/99/93/767129993.db2.gz VOHLPQDWNOVFNP-RHSMWYFYSA-N 1 2 346.362 0.886 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2cncc3[nH]cnc32)[C@H](OC)C1 ZINC001212301179 767190127 /nfs/dbraw/zinc/19/01/27/767190127.db2.gz HMKGYTKMFMKLOY-HUUCEWRRSA-N 1 2 343.387 0.037 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2cncc3[nH]cnc32)[C@H](OC)C1 ZINC001212301179 767190128 /nfs/dbraw/zinc/19/01/28/767190128.db2.gz HMKGYTKMFMKLOY-HUUCEWRRSA-N 1 2 343.387 0.037 20 30 ECEDLO C=CCOCC[N@@H+]1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@H](OC)C1 ZINC001212307265 767195671 /nfs/dbraw/zinc/19/56/71/767195671.db2.gz YKWPWNGZOBXRNH-GMTAPVOTSA-N 1 2 328.306 0.905 20 30 ECEDLO C=CCOCC[N@H+]1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@H](OC)C1 ZINC001212307265 767195673 /nfs/dbraw/zinc/19/56/73/767195673.db2.gz YKWPWNGZOBXRNH-GMTAPVOTSA-N 1 2 328.306 0.905 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001046426621 767212633 /nfs/dbraw/zinc/21/26/33/767212633.db2.gz QSRABRHWAJJTIR-CYBMUJFWSA-N 1 2 347.824 0.874 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001046426621 767212634 /nfs/dbraw/zinc/21/26/34/767212634.db2.gz QSRABRHWAJJTIR-CYBMUJFWSA-N 1 2 347.824 0.874 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001046432017 767218105 /nfs/dbraw/zinc/21/81/05/767218105.db2.gz PMULUYPSJZZWQL-IAQYHMDHSA-N 1 2 339.827 0.879 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001046432017 767218106 /nfs/dbraw/zinc/21/81/06/767218106.db2.gz PMULUYPSJZZWQL-IAQYHMDHSA-N 1 2 339.827 0.879 20 30 ECEDLO CC[C@@H](C)n1nccc1C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001212340130 767262620 /nfs/dbraw/zinc/26/26/20/767262620.db2.gz CHTBDYQUJGRDQG-BFYDXBDKSA-N 1 2 348.447 0.933 20 30 ECEDLO CC[C@@H](C)n1nccc1C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001212340130 767262622 /nfs/dbraw/zinc/26/26/22/767262622.db2.gz CHTBDYQUJGRDQG-BFYDXBDKSA-N 1 2 348.447 0.933 20 30 ECEDLO Cn1cc(C[N@@H+]2CC[C@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]32)nn1 ZINC001042020742 782613909 /nfs/dbraw/zinc/61/39/09/782613909.db2.gz XGYQSAZBEVHFQP-LRDDRELGSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1cc(C[N@H+]2CC[C@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]32)nn1 ZINC001042020742 782613915 /nfs/dbraw/zinc/61/39/15/782613915.db2.gz XGYQSAZBEVHFQP-LRDDRELGSA-N 1 2 339.403 0.751 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1ncccc1OC)CO2 ZINC001053907086 767323227 /nfs/dbraw/zinc/32/32/27/767323227.db2.gz OXDBSLDVUGDSIE-AWEZNQCLSA-N 1 2 329.400 0.616 20 30 ECEDLO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCc3n[nH]nc31)CO2 ZINC001053908188 767328202 /nfs/dbraw/zinc/32/82/02/767328202.db2.gz MEXPUBAMDPJEDJ-OLZOCXBDSA-N 1 2 331.420 0.760 20 30 ECEDLO C#Cc1cncc(C(=O)NCC[C@H](C)NC(=O)Cn2cc[nH+]c2)c1 ZINC001078289829 782622931 /nfs/dbraw/zinc/62/29/31/782622931.db2.gz FGDUCLVEQGTATJ-ZDUSSCGKSA-N 1 2 325.372 0.584 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001046637586 767407465 /nfs/dbraw/zinc/40/74/65/767407465.db2.gz NVMTXXFJAGJIBG-WFASDCNBSA-N 1 2 338.843 0.959 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001046637586 767407467 /nfs/dbraw/zinc/40/74/67/767407467.db2.gz NVMTXXFJAGJIBG-WFASDCNBSA-N 1 2 338.843 0.959 20 30 ECEDLO N#Cc1nccnc1N1CC=C(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001089834215 767418148 /nfs/dbraw/zinc/41/81/48/767418148.db2.gz FKFYPHVXTGWVPH-UHFFFAOYSA-N 1 2 337.387 0.888 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1CC1)CO2 ZINC001053949439 767431443 /nfs/dbraw/zinc/43/14/43/767431443.db2.gz HIZNZYFGDZZXBH-HOTGVXAUSA-N 1 2 345.443 0.370 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CCCCN1C(C)=O)CO2 ZINC001053951687 767437064 /nfs/dbraw/zinc/43/70/64/767437064.db2.gz CNJDRHYRSFIXRU-DLBZAZTESA-N 1 2 347.459 0.760 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(CC)c[nH]c1=O)CO2 ZINC001053969472 767490032 /nfs/dbraw/zinc/49/00/32/767490032.db2.gz OOQPBPVVGMCYDY-AWEZNQCLSA-N 1 2 329.400 0.946 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001053976533 767507596 /nfs/dbraw/zinc/50/75/96/767507596.db2.gz GVFKPJAJBRXQNJ-AWEZNQCLSA-N 1 2 347.415 0.602 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C(=O)NC)nc1)CO2 ZINC001053985774 767536004 /nfs/dbraw/zinc/53/60/04/767536004.db2.gz ZCSDRWLAFIBFNI-AWEZNQCLSA-N 1 2 344.415 0.590 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1Cc3cccnc3C1)CO2 ZINC001053995328 767551992 /nfs/dbraw/zinc/55/19/92/767551992.db2.gz WBHUFDZLJDXDMR-HZPDHXFCSA-N 1 2 325.412 0.779 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C1CCN(C(N)=O)CC1)CO2 ZINC001054003825 767569871 /nfs/dbraw/zinc/56/98/71/767569871.db2.gz BOVUATQEJRKWTB-CQSZACIVSA-N 1 2 336.436 0.313 20 30 ECEDLO C#CCCCC(=O)N(C)CCOCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001127280132 767597296 /nfs/dbraw/zinc/59/72/96/767597296.db2.gz MFZWYMABEIODFR-UHFFFAOYSA-N 1 2 348.451 0.936 20 30 ECEDLO Cn1nnnc1C[N@H+](C)C[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001017109516 767602627 /nfs/dbraw/zinc/60/26/27/767602627.db2.gz LXRXOGXRFMYLJV-LBPRGKRZSA-N 1 2 342.407 0.394 20 30 ECEDLO Cn1nnnc1C[N@@H+](C)C[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001017109516 767602630 /nfs/dbraw/zinc/60/26/30/767602630.db2.gz LXRXOGXRFMYLJV-LBPRGKRZSA-N 1 2 342.407 0.394 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1ccc(C(N)=O)cc1)CO2 ZINC001054020179 767614240 /nfs/dbraw/zinc/61/42/40/767614240.db2.gz HSOATSQBBLLLEO-INIZCTEOSA-N 1 2 341.411 0.311 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N(CCO)CCNc1ccc(C#N)nc1 ZINC001111495439 767785342 /nfs/dbraw/zinc/78/53/42/767785342.db2.gz HOXUPUYFTVXSBK-UHFFFAOYSA-N 1 2 342.403 0.552 20 30 ECEDLO C[C@H](CCNc1ccnc(C#N)n1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001106570665 768440808 /nfs/dbraw/zinc/44/08/08/768440808.db2.gz WJBLGIGIJNUXLX-JHJVBQTASA-N 1 2 339.403 0.614 20 30 ECEDLO C[C@@H](CCNc1ccnc(C#N)n1)NC(=O)CCc1[nH+]ccn1C ZINC001106658600 768574518 /nfs/dbraw/zinc/57/45/18/768574518.db2.gz KWSWZTAQIVWBHF-LBPRGKRZSA-N 1 2 327.392 0.443 20 30 ECEDLO C[C@@H]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001018069602 768684044 /nfs/dbraw/zinc/68/40/44/768684044.db2.gz LEMSSFAMAFOSQF-DGCLKSJQSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@@H]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001018072205 768686452 /nfs/dbraw/zinc/68/64/52/768686452.db2.gz WUMWSFYGNUHXII-DGCLKSJQSA-N 1 2 340.387 0.961 20 30 ECEDLO N#Cc1nccnc1N[C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001060557845 768808950 /nfs/dbraw/zinc/80/89/50/768808950.db2.gz RFPMBQDHCUZDRP-IACUBPJLSA-N 1 2 337.387 0.963 20 30 ECEDLO C=CCC(C)(C)C(=O)NC1CC[NH+](CCNC(=O)c2cn[nH]n2)CC1 ZINC001055597260 769218972 /nfs/dbraw/zinc/21/89/72/769218972.db2.gz PXLBICJLYKKESE-UHFFFAOYSA-N 1 2 348.451 0.717 20 30 ECEDLO C=CCC(C)(C)C(=O)NC1CC[NH+](CCNC(=O)c2cnn[nH]2)CC1 ZINC001055597260 769218978 /nfs/dbraw/zinc/21/89/78/769218978.db2.gz PXLBICJLYKKESE-UHFFFAOYSA-N 1 2 348.451 0.717 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccncn3)C2)CC1 ZINC001018372391 769231894 /nfs/dbraw/zinc/23/18/94/769231894.db2.gz PCGLYKIKRXIQFE-OAHLLOKOSA-N 1 2 343.431 0.659 20 30 ECEDLO C=CC(C)(C)C(=O)NCC[NH+]1CCC(NC(=O)c2ncn[nH]2)CC1 ZINC001055607728 769246284 /nfs/dbraw/zinc/24/62/84/769246284.db2.gz BARLJCVFLJFIBQ-UHFFFAOYSA-N 1 2 334.424 0.327 20 30 ECEDLO C=CC(C)(C)C(=O)NCC[NH+]1CCC(NC(=O)c2nc[nH]n2)CC1 ZINC001055607728 769246292 /nfs/dbraw/zinc/24/62/92/769246292.db2.gz BARLJCVFLJFIBQ-UHFFFAOYSA-N 1 2 334.424 0.327 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)NCC[NH+]1CCC(NC(=O)c2ncn[nH]2)CC1 ZINC001055619264 769269989 /nfs/dbraw/zinc/26/99/89/769269989.db2.gz WMXOZMDJYROWFI-STQMWFEESA-N 1 2 348.451 0.573 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)NCC[NH+]1CCC(NC(=O)c2nc[nH]n2)CC1 ZINC001055619264 769269995 /nfs/dbraw/zinc/26/99/95/769269995.db2.gz WMXOZMDJYROWFI-STQMWFEESA-N 1 2 348.451 0.573 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NC1CCC(Nc2ccnc(C#N)n2)CC1 ZINC001060599001 769321287 /nfs/dbraw/zinc/32/12/87/769321287.db2.gz NXZKXXZJYQTRRU-UHFFFAOYSA-N 1 2 339.403 0.586 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccnn3C)[C@@H]2C)nn1 ZINC000993949557 769931327 /nfs/dbraw/zinc/93/13/27/769931327.db2.gz KLDVZSGBLKMFBV-HIFRSBDPSA-N 1 2 343.435 0.981 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccnn3C)[C@@H]2C)nn1 ZINC000993949557 769931330 /nfs/dbraw/zinc/93/13/30/769931330.db2.gz KLDVZSGBLKMFBV-HIFRSBDPSA-N 1 2 343.435 0.981 20 30 ECEDLO C#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001055911207 770183173 /nfs/dbraw/zinc/18/31/73/770183173.db2.gz XCLZZDGYTVEGEI-QGZVFWFLSA-N 1 2 332.404 0.225 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCCO[C@@H](C[NH2+]Cc3cnsn3)C2)[nH]1 ZINC001078382880 782818382 /nfs/dbraw/zinc/81/83/82/782818382.db2.gz RZOQVCAEFIPQGB-ZDUSSCGKSA-N 1 2 346.416 0.759 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)[C@H]1C ZINC000994245168 770403909 /nfs/dbraw/zinc/40/39/09/770403909.db2.gz XCANCHGIHJHOQB-GXTWGEPZSA-N 1 2 330.388 0.162 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)[C@H]1C ZINC000994245168 770403916 /nfs/dbraw/zinc/40/39/16/770403916.db2.gz XCANCHGIHJHOQB-GXTWGEPZSA-N 1 2 330.388 0.162 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ncc(Cl)n2C)C1 ZINC001018986212 770485629 /nfs/dbraw/zinc/48/56/29/770485629.db2.gz WAEPRDKOPVZLBU-KBPBESRZSA-N 1 2 349.866 0.862 20 30 ECEDLO CC#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001055998141 770500548 /nfs/dbraw/zinc/50/05/48/770500548.db2.gz OJHAULVHPFNKLX-GOSISDBHSA-N 1 2 346.431 0.546 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC[C@@](CO)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001056024437 770597611 /nfs/dbraw/zinc/59/76/11/770597611.db2.gz DWAUBLIIUDHGDL-GOSISDBHSA-N 1 2 348.447 0.955 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N[C@@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001056065845 770725719 /nfs/dbraw/zinc/72/57/19/770725719.db2.gz PMAIIMDXJWRHEC-QAPCUYQASA-N 1 2 348.447 0.955 20 30 ECEDLO C=CCCCC(=O)N1CCC[C@](CO)(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001056080745 770781575 /nfs/dbraw/zinc/78/15/75/770781575.db2.gz XDYZJORJSRPDFE-KRWDZBQOSA-N 1 2 334.420 0.778 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC[C@H]3C)C[C@@H]2O)C1 ZINC001083756293 770972435 /nfs/dbraw/zinc/97/24/35/770972435.db2.gz MUQHEWCFSLCOEZ-OAGGEKHMSA-N 1 2 349.475 0.905 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC[C@H]3C)C[C@@H]2O)C1 ZINC001083756293 770972442 /nfs/dbraw/zinc/97/24/42/770972442.db2.gz MUQHEWCFSLCOEZ-OAGGEKHMSA-N 1 2 349.475 0.905 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC3(C2)CCN(C(=O)Cc2[nH]cc[nH+]2)C3)cn1 ZINC001019236154 771040103 /nfs/dbraw/zinc/04/01/03/771040103.db2.gz CMKJZLQRPOUUPV-UHFFFAOYSA-N 1 2 349.394 0.703 20 30 ECEDLO N#Cc1nccnc1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001056334877 771141697 /nfs/dbraw/zinc/14/16/97/771141697.db2.gz BZLLRMQNADXFBI-YYWXWVFPSA-N 1 2 349.398 0.358 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001019362686 771204654 /nfs/dbraw/zinc/20/46/54/771204654.db2.gz BWLFUAOECPNDNT-ZDUSSCGKSA-N 1 2 329.404 0.573 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001019367295 771212098 /nfs/dbraw/zinc/21/20/98/771212098.db2.gz VHGSDDBCWMQJSR-KBPBESRZSA-N 1 2 341.415 0.666 20 30 ECEDLO CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)C#CC(C)C)[C@H](OC)C1)C1CC1 ZINC001212240892 771353427 /nfs/dbraw/zinc/35/34/27/771353427.db2.gz FVUMGHSNWFVROP-HZPDHXFCSA-N 1 2 335.448 0.472 20 30 ECEDLO CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)C#CC(C)C)[C@H](OC)C1)C1CC1 ZINC001212240892 771353432 /nfs/dbraw/zinc/35/34/32/771353432.db2.gz FVUMGHSNWFVROP-HZPDHXFCSA-N 1 2 335.448 0.472 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056526175 771354048 /nfs/dbraw/zinc/35/40/48/771354048.db2.gz BGKUNMPUAOHVQF-GLJUWKHASA-N 1 2 346.431 0.871 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060733464 771369197 /nfs/dbraw/zinc/36/91/97/771369197.db2.gz PHFJFYYRKMIZTQ-RBSFLKMASA-N 1 2 346.431 0.782 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031620769 771477514 /nfs/dbraw/zinc/47/75/14/771477514.db2.gz CABFKWJAHBYTGU-QGZVFWFLSA-N 1 2 346.406 0.576 20 30 ECEDLO N#Cc1ccc(N2CCCO[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)cn1 ZINC001089558111 771487213 /nfs/dbraw/zinc/48/72/13/771487213.db2.gz JADMIVSGPQTSBD-INIZCTEOSA-N 1 2 340.387 0.631 20 30 ECEDLO 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/nfs/dbraw/zinc/96/02/99/782960299.db2.gz UUULRPNMKNFDNP-UONOGXRCSA-N 1 2 345.447 0.888 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@H+](Cc4nc(=O)n(C)[nH]4)[C@@H]3C2)C1 ZINC001042228492 782960306 /nfs/dbraw/zinc/96/03/06/782960306.db2.gz UUULRPNMKNFDNP-UONOGXRCSA-N 1 2 345.447 0.888 20 30 ECEDLO CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001056952376 771857348 /nfs/dbraw/zinc/85/73/48/771857348.db2.gz IGLWAARULPKKEA-OAHLLOKOSA-N 1 2 339.403 0.752 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](N(C)c2nccnc2C#N)C1 ZINC001057047061 771992768 /nfs/dbraw/zinc/99/27/68/771992768.db2.gz NRRFBYSJWQQRDW-TZMCWYRMSA-N 1 2 339.403 0.987 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](N(C)c2nccnc2C#N)C1 ZINC001057047061 771992770 /nfs/dbraw/zinc/99/27/70/771992770.db2.gz NRRFBYSJWQQRDW-TZMCWYRMSA-N 1 2 339.403 0.987 20 30 ECEDLO CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001057064587 772024451 /nfs/dbraw/zinc/02/44/51/772024451.db2.gz 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C=C[C@@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)CCc1c[nH]c[nH+]1 ZINC001057901380 773159270 /nfs/dbraw/zinc/15/92/70/773159270.db2.gz QZULDVBGBSCOKG-KGLIPLIRSA-N 1 2 336.436 0.738 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)CCc1c[nH+]c[nH]1 ZINC001057901380 773159271 /nfs/dbraw/zinc/15/92/71/773159271.db2.gz QZULDVBGBSCOKG-KGLIPLIRSA-N 1 2 336.436 0.738 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)c[nH+]1 ZINC001057971885 773313555 /nfs/dbraw/zinc/31/35/55/773313555.db2.gz HVRCAGNTIVQCJS-LBPRGKRZSA-N 1 2 335.408 0.023 20 30 ECEDLO C=C(C)CCC(=O)NCCN(CCO)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001058160767 773666610 /nfs/dbraw/zinc/66/66/10/773666610.db2.gz JUFADRNBDWEJMN-UHFFFAOYSA-N 1 2 336.436 0.981 20 30 ECEDLO CCc1nc(C#N)cc(N2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001058172246 773695568 /nfs/dbraw/zinc/69/55/68/773695568.db2.gz WZGMKILOGCQFKZ-CYBMUJFWSA-N 1 2 339.403 0.892 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040629352 783133878 /nfs/dbraw/zinc/13/38/78/783133878.db2.gz JIJAOXGMOGZIND-GUYCJALGSA-N 1 2 334.420 0.634 20 30 ECEDLO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001058303584 773937329 /nfs/dbraw/zinc/93/73/29/773937329.db2.gz CHDCQIUJHJQIBR-CQSZACIVSA-N 1 2 348.447 0.595 20 30 ECEDLO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)CCCn1cc[nH+]c1 ZINC001058305817 773942135 /nfs/dbraw/zinc/94/21/35/773942135.db2.gz IFAPAXPLIFUHLN-UHFFFAOYSA-N 1 2 336.436 0.813 20 30 ECEDLO C[C@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CN1c1ccnc(C#N)n1 ZINC001039817874 783145459 /nfs/dbraw/zinc/14/54/59/783145459.db2.gz IYVZVQBTIMPJHY-NWDGAFQWSA-N 1 2 325.376 0.788 20 30 ECEDLO C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)CCn1cc[nH+]c1 ZINC001058468215 774243609 /nfs/dbraw/zinc/24/36/09/774243609.db2.gz DBAREEDNEZUEAY-OAHLLOKOSA-N 1 2 336.436 0.813 20 30 ECEDLO N#Cc1cncc(N2CC[C@@H](NC(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)n1 ZINC001058481026 774271630 /nfs/dbraw/zinc/27/16/30/774271630.db2.gz HIVFLIJCNJRVBB-CHWSQXEVSA-N 1 2 337.387 0.502 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(c2ccc(C#N)nn2)C1 ZINC001058548363 774412649 /nfs/dbraw/zinc/41/26/49/774412649.db2.gz MYKWRVOUBSMFGH-MGPQQGTHSA-N 1 2 337.387 0.580 20 30 ECEDLO C=CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001058623456 774560903 /nfs/dbraw/zinc/56/09/03/774560903.db2.gz SRWHJUILAIZXIV-HNNXBMFYSA-N 1 2 348.447 0.739 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001044981415 774797076 /nfs/dbraw/zinc/79/70/76/774797076.db2.gz WGEBQVFHEYUFSM-NEPJUHHUSA-N 1 2 334.420 0.408 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001044984672 774799977 /nfs/dbraw/zinc/79/99/77/774799977.db2.gz DAUKJLQKLVWBCD-HUUCEWRRSA-N 1 2 348.447 0.811 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001045069083 774929137 /nfs/dbraw/zinc/92/91/37/774929137.db2.gz OICNUOGZGXEFIE-HNNXBMFYSA-N 1 2 348.447 0.955 20 30 ECEDLO C#CCCCCCC(=O)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001045287298 775322698 /nfs/dbraw/zinc/32/26/98/775322698.db2.gz SZWQLFNHRPRIHS-UHFFFAOYSA-N 1 2 332.404 0.225 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccnc(OCC)c2)[C@@H](n2ccnn2)C1 ZINC001070022616 790355157 /nfs/dbraw/zinc/35/51/57/790355157.db2.gz ZERXPTKYLFCIGU-CABCVRRESA-N 1 2 340.387 0.360 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccnc(OCC)c2)[C@@H](n2ccnn2)C1 ZINC001070022616 790355170 /nfs/dbraw/zinc/35/51/70/790355170.db2.gz ZERXPTKYLFCIGU-CABCVRRESA-N 1 2 340.387 0.360 20 30 ECEDLO C=CCN1CC[C@H](N2CC(N(C)C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1=O ZINC001044188714 775881856 /nfs/dbraw/zinc/88/18/56/775881856.db2.gz MUKRWHBZEGVIBI-AWEZNQCLSA-N 1 2 345.447 0.617 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccn(C(C)C)n2)[C@@H](n2ccnn2)C1 ZINC001070043889 790434179 /nfs/dbraw/zinc/43/41/79/790434179.db2.gz OCKBBQCRAVLKNK-CABCVRRESA-N 1 2 327.392 0.344 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccn(C(C)C)n2)[C@@H](n2ccnn2)C1 ZINC001070043889 790434183 /nfs/dbraw/zinc/43/41/83/790434183.db2.gz OCKBBQCRAVLKNK-CABCVRRESA-N 1 2 327.392 0.344 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 ZINC001044715419 776689057 /nfs/dbraw/zinc/68/90/57/776689057.db2.gz XALBVEXSMBAHOY-UHFFFAOYSA-N 1 2 346.431 0.092 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccc3[nH]cnc32)[C@@H](n2ccnn2)C1 ZINC001070060100 790477269 /nfs/dbraw/zinc/47/72/69/790477269.db2.gz DDCLQZAEVXNGCF-CVEARBPZSA-N 1 2 349.398 0.833 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cccc3[nH]cnc32)[C@@H](n2ccnn2)C1 ZINC001070060100 790477277 /nfs/dbraw/zinc/47/72/77/790477277.db2.gz DDCLQZAEVXNGCF-CVEARBPZSA-N 1 2 349.398 0.833 20 30 ECEDLO CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001079741466 776784484 /nfs/dbraw/zinc/78/44/84/776784484.db2.gz IQQJMWGBHUPVEB-OAHLLOKOSA-N 1 2 340.427 0.918 20 30 ECEDLO C#CCOCCC(=O)N(CC)C1CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001079771243 776835959 /nfs/dbraw/zinc/83/59/59/776835959.db2.gz WMILNHMDAIPOHG-UHFFFAOYSA-N 1 2 346.431 0.763 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001079774536 776846203 /nfs/dbraw/zinc/84/62/03/776846203.db2.gz FRXFYOBAOXUYGB-ZDUSSCGKSA-N 1 2 332.404 0.440 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2C(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001070076318 790522953 /nfs/dbraw/zinc/52/29/53/790522953.db2.gz KXTVZLLUQFUEKY-KGLIPLIRSA-N 1 2 341.419 0.587 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2C(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001070076318 790522955 /nfs/dbraw/zinc/52/29/55/790522955.db2.gz KXTVZLLUQFUEKY-KGLIPLIRSA-N 1 2 341.419 0.587 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)Cc2c[nH+]cn2C)C1 ZINC001080143012 777458050 /nfs/dbraw/zinc/45/80/50/777458050.db2.gz RIHRBIVOVPTLBN-CVEARBPZSA-N 1 2 346.431 0.613 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)cc1 ZINC001080244944 777602111 /nfs/dbraw/zinc/60/21/11/777602111.db2.gz SPPVVRBIOLFOCQ-IUODEOHRSA-N 1 2 339.399 0.340 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)cc1 ZINC001080244944 777602116 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0.900 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)C(F)C(F)(F)F)C1 ZINC001267559191 837767399 /nfs/dbraw/zinc/76/73/99/837767399.db2.gz PQQHWPBCUYDYCY-KOLCDFICSA-N 1 2 338.305 0.355 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)C(F)C(F)(F)F)C1 ZINC001267559191 837767404 /nfs/dbraw/zinc/76/74/04/837767404.db2.gz PQQHWPBCUYDYCY-KOLCDFICSA-N 1 2 338.305 0.355 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001267559191 837767406 /nfs/dbraw/zinc/76/74/06/837767406.db2.gz PQQHWPBCUYDYCY-KOLCDFICSA-N 1 2 338.305 0.355 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001267559191 837767412 /nfs/dbraw/zinc/76/74/12/837767412.db2.gz PQQHWPBCUYDYCY-KOLCDFICSA-N 1 2 338.305 0.355 20 30 ECEDLO CN(CC[NH+]1CCN(CC(=O)NCC#N)CC1)C(=O)c1ccccc1 ZINC001267574111 837818354 /nfs/dbraw/zinc/81/83/54/837818354.db2.gz VTZHMBPFOIIIFY-UHFFFAOYSA-N 1 2 343.431 0.016 20 30 ECEDLO C#CC[NH+]1CCN(CCN(C)C(=O)c2cc3c([nH]c2=O)CCC3)CC1 ZINC001267576125 837828925 /nfs/dbraw/zinc/82/89/25/837828925.db2.gz RLUUDSZCCJUJIB-UHFFFAOYSA-N 1 2 342.443 0.599 20 30 ECEDLO C[N@H+](CCNC(=O)[C@@H]1CCOC1)CC(=O)NCC#Cc1ccccc1 ZINC001266261005 835572503 /nfs/dbraw/zinc/57/25/03/835572503.db2.gz ZSTNBCBSIAUAMU-QGZVFWFLSA-N 1 2 343.427 0.239 20 30 ECEDLO C[N@@H+](CCNC(=O)[C@@H]1CCOC1)CC(=O)NCC#Cc1ccccc1 ZINC001266261005 835572511 /nfs/dbraw/zinc/57/25/11/835572511.db2.gz ZSTNBCBSIAUAMU-QGZVFWFLSA-N 1 2 343.427 0.239 20 30 ECEDLO CC#CC[NH+]1CCN(CCCNC(=O)c2cnn(C)c2Cl)CC1 ZINC001266266770 835581354 /nfs/dbraw/zinc/58/13/54/835581354.db2.gz CEOCUNOKWJPQGC-UHFFFAOYSA-N 1 2 337.855 0.834 20 30 ECEDLO CC#CC[NH+]1CCN(CCCNC(=O)c2ccnc(N(C)C)c2)CC1 ZINC001266273753 835595972 /nfs/dbraw/zinc/59/59/72/835595972.db2.gz PYPSLHRZLRCEJR-UHFFFAOYSA-N 1 2 343.475 0.908 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN(CCNC(=O)CCC(=C)C)CC2)C1=O ZINC001266285606 835619964 /nfs/dbraw/zinc/61/99/64/835619964.db2.gz GBLMMHWMWPCLJS-QGZVFWFLSA-N 1 2 348.491 0.863 20 30 ECEDLO COCC#CCN1CC[NH+](CCNC(=O)[C@@H]2CCC[C@H]2OC)CC1 ZINC001266288060 835630838 /nfs/dbraw/zinc/63/08/38/835630838.db2.gz PWROLRQFTVZTHZ-IAGOWNOFSA-N 1 2 337.464 0.185 20 30 ECEDLO COCC#CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[C@H]2OC)CC1 ZINC001266288060 835630840 /nfs/dbraw/zinc/63/08/40/835630840.db2.gz PWROLRQFTVZTHZ-IAGOWNOFSA-N 1 2 337.464 0.185 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(CCNC(=O)C(C)(C)CC=C)CC1 ZINC001266294812 835641425 /nfs/dbraw/zinc/64/14/25/835641425.db2.gz MGHKLOHKJPCTOJ-INIZCTEOSA-N 1 2 348.491 0.460 20 30 ECEDLO N#CCN1CC[NH+](CCNC(=O)COCCc2ccccc2)CC1 ZINC001266298860 835655013 /nfs/dbraw/zinc/65/50/13/835655013.db2.gz JSIGILDXFLYPAM-UHFFFAOYSA-N 1 2 330.432 0.503 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)Cc1cn2c(C)csc2n1 ZINC001266306399 835670987 /nfs/dbraw/zinc/67/09/87/835670987.db2.gz QDKOKJWXGKASKB-UHFFFAOYSA-N 1 2 349.460 0.597 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)Cc1cn2c(C)csc2n1 ZINC001266306399 835670991 /nfs/dbraw/zinc/67/09/91/835670991.db2.gz QDKOKJWXGKASKB-UHFFFAOYSA-N 1 2 349.460 0.597 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC(F)(F)C2)C1 ZINC001266314949 835682420 /nfs/dbraw/zinc/68/24/20/835682420.db2.gz MWFLASLFUHHEPT-NSHDSACASA-N 1 2 344.362 0.234 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC(F)(F)C2)C1 ZINC001266314949 835682424 /nfs/dbraw/zinc/68/24/24/835682424.db2.gz MWFLASLFUHHEPT-NSHDSACASA-N 1 2 344.362 0.234 20 30 ECEDLO C#CCNC(=O)CN1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001266320071 835689980 /nfs/dbraw/zinc/68/99/80/835689980.db2.gz YALBNJKJFJAFTG-OAHLLOKOSA-N 1 2 339.399 0.196 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccn(CC(C)C)n2)C1 ZINC001266320777 835692107 /nfs/dbraw/zinc/69/21/07/835692107.db2.gz FYLDDBWLBBMGAO-GJZGRUSLSA-N 1 2 345.447 0.481 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2ccn(CC(C)C)n2)C1 ZINC001266320777 835692112 /nfs/dbraw/zinc/69/21/12/835692112.db2.gz FYLDDBWLBBMGAO-GJZGRUSLSA-N 1 2 345.447 0.481 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cc(C)c(C)cn2)C1 ZINC001266330772 835712160 /nfs/dbraw/zinc/71/21/60/835712160.db2.gz HZRFHRMOUXRDFK-LSDHHAIUSA-N 1 2 328.416 0.640 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cc(C)c(C)cn2)C1 ZINC001266330772 835712166 /nfs/dbraw/zinc/71/21/66/835712166.db2.gz HZRFHRMOUXRDFK-LSDHHAIUSA-N 1 2 328.416 0.640 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cc(C)c(C)cn2)C1 ZINC001266330771 835712302 /nfs/dbraw/zinc/71/23/02/835712302.db2.gz HZRFHRMOUXRDFK-HUUCEWRRSA-N 1 2 328.416 0.640 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cc(C)c(C)cn2)C1 ZINC001266330771 835712308 /nfs/dbraw/zinc/71/23/08/835712308.db2.gz HZRFHRMOUXRDFK-HUUCEWRRSA-N 1 2 328.416 0.640 20 30 ECEDLO Cc1cc2c(cc1C)O[C@H](C(=O)NCC[N@@H+](C)CC(=O)NCC#N)C2 ZINC001266360130 835769731 /nfs/dbraw/zinc/76/97/31/835769731.db2.gz RPHJHKMYZZWGBU-INIZCTEOSA-N 1 2 344.415 0.295 20 30 ECEDLO Cc1cc2c(cc1C)O[C@H](C(=O)NCC[N@H+](C)CC(=O)NCC#N)C2 ZINC001266360130 835769737 /nfs/dbraw/zinc/76/97/37/835769737.db2.gz RPHJHKMYZZWGBU-INIZCTEOSA-N 1 2 344.415 0.295 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)Cn1nc(C)c(Cl)c1C ZINC001266359961 835770024 /nfs/dbraw/zinc/77/00/24/835770024.db2.gz LYWDJFJDUQKAOU-UHFFFAOYSA-N 1 2 341.843 0.504 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)Cn1nc(C)c(Cl)c1C ZINC001266359961 835770031 /nfs/dbraw/zinc/77/00/31/835770031.db2.gz LYWDJFJDUQKAOU-UHFFFAOYSA-N 1 2 341.843 0.504 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2csc(CC(C)C)n2)C1 ZINC001266364571 835776044 /nfs/dbraw/zinc/77/60/44/835776044.db2.gz YJBVYLXWSWIXLJ-CYBMUJFWSA-N 1 2 348.472 0.895 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2csc(CC(C)C)n2)C1 ZINC001266364571 835776049 /nfs/dbraw/zinc/77/60/49/835776049.db2.gz YJBVYLXWSWIXLJ-CYBMUJFWSA-N 1 2 348.472 0.895 20 30 ECEDLO CC[C@H](CC(F)F)C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001266468251 835869849 /nfs/dbraw/zinc/86/98/49/835869849.db2.gz MVFPGRINMLHADU-VXGBXAGGSA-N 1 2 330.379 0.888 20 30 ECEDLO CC[C@H](CC(F)F)C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001266468251 835869854 /nfs/dbraw/zinc/86/98/54/835869854.db2.gz MVFPGRINMLHADU-VXGBXAGGSA-N 1 2 330.379 0.888 20 30 ECEDLO C[C@H](CC(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCC#N)c1ccncc1 ZINC001266468460 835870100 /nfs/dbraw/zinc/87/01/00/835870100.db2.gz QRAGLYSVQIJZMM-GDBMZVCRSA-N 1 2 343.431 0.796 20 30 ECEDLO C[C@H](CC(=O)NC[C@H]1CCC[N@H+]1CC(=O)NCC#N)c1ccncc1 ZINC001266468460 835870108 /nfs/dbraw/zinc/87/01/08/835870108.db2.gz QRAGLYSVQIJZMM-GDBMZVCRSA-N 1 2 343.431 0.796 20 30 ECEDLO CS(=O)(=O)CC(=O)NC[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001266503814 835904933 /nfs/dbraw/zinc/90/49/33/835904933.db2.gz ZNJZRALJBQIRTN-INIZCTEOSA-N 1 2 334.441 0.521 20 30 ECEDLO CS(=O)(=O)CC(=O)NC[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001266503814 835904942 /nfs/dbraw/zinc/90/49/42/835904942.db2.gz ZNJZRALJBQIRTN-INIZCTEOSA-N 1 2 334.441 0.521 20 30 ECEDLO C=CCN1CC[C@@H](N(CCNC(=O)Cn2cc[nH+]c2C)C2CC2)C1=O ZINC001266619598 836056874 /nfs/dbraw/zinc/05/68/74/836056874.db2.gz UPZUFUSWODOSOU-MRXNPFEDSA-N 1 2 345.447 0.559 20 30 ECEDLO C=CCCOCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001266735677 836217463 /nfs/dbraw/zinc/21/74/63/836217463.db2.gz RPLKVRJOFJCKMX-BETUJISGSA-N 1 2 345.403 0.352 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C)nn1 ZINC001266842362 836368922 /nfs/dbraw/zinc/36/89/22/836368922.db2.gz MEOLZLHVPRFQSL-CQSZACIVSA-N 1 2 329.404 0.119 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C)nn1 ZINC001266842362 836368923 /nfs/dbraw/zinc/36/89/23/836368923.db2.gz MEOLZLHVPRFQSL-CQSZACIVSA-N 1 2 329.404 0.119 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cnc2cnccc2c1 ZINC001267206545 836988583 /nfs/dbraw/zinc/98/85/83/836988583.db2.gz FXZLDCZQNCWBPG-UHFFFAOYSA-N 1 2 327.388 0.594 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cnc2cnccc2c1 ZINC001267206545 836988592 /nfs/dbraw/zinc/98/85/92/836988592.db2.gz FXZLDCZQNCWBPG-UHFFFAOYSA-N 1 2 327.388 0.594 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)OC1CCCCCC1 ZINC001267215957 837006077 /nfs/dbraw/zinc/00/60/77/837006077.db2.gz QTBNVYLGKLWBEQ-HNNXBMFYSA-N 1 2 337.464 0.912 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@H](C)OC1CCCCCC1 ZINC001267215957 837006084 /nfs/dbraw/zinc/00/60/84/837006084.db2.gz QTBNVYLGKLWBEQ-HNNXBMFYSA-N 1 2 337.464 0.912 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCc2ccccc2O1 ZINC001267223532 837017307 /nfs/dbraw/zinc/01/73/07/837017307.db2.gz JWXWTFHYMXJKST-MRXNPFEDSA-N 1 2 329.400 0.178 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCc2ccccc2O1 ZINC001267223532 837017317 /nfs/dbraw/zinc/01/73/17/837017317.db2.gz JWXWTFHYMXJKST-MRXNPFEDSA-N 1 2 329.400 0.178 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001267227346 837026440 /nfs/dbraw/zinc/02/64/40/837026440.db2.gz MMJKHZPKKHUGPD-ZDUSSCGKSA-N 1 2 333.436 0.429 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001267227346 837026456 /nfs/dbraw/zinc/02/64/56/837026456.db2.gz MMJKHZPKKHUGPD-ZDUSSCGKSA-N 1 2 333.436 0.429 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)Cc1cccc2nsnc21 ZINC001267234312 837040972 /nfs/dbraw/zinc/04/09/72/837040972.db2.gz LGQISZQBBALCBZ-UHFFFAOYSA-N 1 2 347.444 0.584 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)Cc1cccc2nsnc21 ZINC001267234312 837040986 /nfs/dbraw/zinc/04/09/86/837040986.db2.gz LGQISZQBBALCBZ-UHFFFAOYSA-N 1 2 347.444 0.584 20 30 ECEDLO COc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NCC#N)cc1 ZINC001267282737 837132102 /nfs/dbraw/zinc/13/21/02/837132102.db2.gz XMAUMUSGFDEVFS-CQSZACIVSA-N 1 2 330.388 0.529 20 30 ECEDLO COc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NCC#N)cc1 ZINC001267282737 837132105 /nfs/dbraw/zinc/13/21/05/837132105.db2.gz XMAUMUSGFDEVFS-CQSZACIVSA-N 1 2 330.388 0.529 20 30 ECEDLO C[N@@H+](CC(=O)NCC#N)C[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001267583904 837853619 /nfs/dbraw/zinc/85/36/19/837853619.db2.gz WRJFTVXMMWHOAB-GXSJLCMTSA-N 1 2 338.305 0.307 20 30 ECEDLO C[N@H+](CC(=O)NCC#N)C[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001267583904 837853635 /nfs/dbraw/zinc/85/36/35/837853635.db2.gz WRJFTVXMMWHOAB-GXSJLCMTSA-N 1 2 338.305 0.307 20 30 ECEDLO C[N@@H+](CC(=O)NCC#N)C[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001267583904 837853647 /nfs/dbraw/zinc/85/36/47/837853647.db2.gz WRJFTVXMMWHOAB-GXSJLCMTSA-N 1 2 338.305 0.307 20 30 ECEDLO C[N@H+](CC(=O)NCC#N)C[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001267583904 837853659 /nfs/dbraw/zinc/85/36/59/837853659.db2.gz WRJFTVXMMWHOAB-GXSJLCMTSA-N 1 2 338.305 0.307 20 30 ECEDLO C=C(C)CCC(=O)N(C)CC[NH+]1CCN(Cc2nncn2C)CC1 ZINC001267607303 837949700 /nfs/dbraw/zinc/94/97/00/837949700.db2.gz DCIIQABDSVIIFV-UHFFFAOYSA-N 1 2 334.468 0.747 20 30 ECEDLO CN(CC[NH+]1CCN(CC(=O)NCC#N)CC1)C(=O)C1(C)CCCC1 ZINC001267608748 837959639 /nfs/dbraw/zinc/95/96/39/837959639.db2.gz BPLUCDLXSXXPSN-UHFFFAOYSA-N 1 2 349.479 0.282 20 30 ECEDLO C#CC[NH+]1CCN(CCN(C)C(=O)c2cc(CC)[nH]c(=O)c2)CC1 ZINC001267608902 837964658 /nfs/dbraw/zinc/96/46/58/837964658.db2.gz GXOXALKKJCAVNY-UHFFFAOYSA-N 1 2 330.432 0.672 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@@H]1CCc2cncn2C1 ZINC001267609100 837965156 /nfs/dbraw/zinc/96/51/56/837965156.db2.gz OYUZEGJIHMOUSM-OAHLLOKOSA-N 1 2 330.436 0.045 20 30 ECEDLO COCCCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001267614129 837988303 /nfs/dbraw/zinc/98/83/03/837988303.db2.gz BTPJTENQKLTNGA-OAHLLOKOSA-N 1 2 337.464 0.769 20 30 ECEDLO COCCCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001267614129 837988312 /nfs/dbraw/zinc/98/83/12/837988312.db2.gz BTPJTENQKLTNGA-OAHLLOKOSA-N 1 2 337.464 0.769 20 30 ECEDLO C#CCCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(=O)NCC=C)C1 ZINC001267624924 838072967 /nfs/dbraw/zinc/07/29/67/838072967.db2.gz QBYRYIXPUYFHFA-AWEZNQCLSA-N 1 2 334.420 0.382 20 30 ECEDLO C#CCCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC(=O)NCC=C)C1 ZINC001267624924 838072976 /nfs/dbraw/zinc/07/29/76/838072976.db2.gz QBYRYIXPUYFHFA-AWEZNQCLSA-N 1 2 334.420 0.382 20 30 ECEDLO CC(C)n1ccc(CC(=O)N[C@H]2CCC[N@H+](CC(=O)NCC#N)C2)n1 ZINC001267628744 838085432 /nfs/dbraw/zinc/08/54/32/838085432.db2.gz JLPBETISHCPFOY-HNNXBMFYSA-N 1 2 346.435 0.227 20 30 ECEDLO CC(C)n1ccc(CC(=O)N[C@H]2CCC[N@@H+](CC(=O)NCC#N)C2)n1 ZINC001267628744 838085437 /nfs/dbraw/zinc/08/54/37/838085437.db2.gz JLPBETISHCPFOY-HNNXBMFYSA-N 1 2 346.435 0.227 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCS(C)(=O)=O)C1 ZINC001267632571 838095604 /nfs/dbraw/zinc/09/56/04/838095604.db2.gz ZCEPRNZKHJRYHS-ZNMIVQPWSA-N 1 2 344.477 0.593 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCS(C)(=O)=O)C1 ZINC001267632571 838095611 /nfs/dbraw/zinc/09/56/11/838095611.db2.gz ZCEPRNZKHJRYHS-ZNMIVQPWSA-N 1 2 344.477 0.593 20 30 ECEDLO C=CCN(CC=C)C(=O)C[NH+]1CC(CNC(=O)c2cc(C)no2)C1 ZINC001267675178 838220707 /nfs/dbraw/zinc/22/07/07/838220707.db2.gz PJVCOHGNRDCHEH-UHFFFAOYSA-N 1 2 332.404 0.845 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)CCn2nc(C)cc2C)C1 ZINC001267686927 838250779 /nfs/dbraw/zinc/25/07/79/838250779.db2.gz UTQSPTWJXWFVMD-OAHLLOKOSA-N 1 2 345.447 0.076 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2ccc(OC)c(F)c2)C1 ZINC001267686143 838252667 /nfs/dbraw/zinc/25/26/67/838252667.db2.gz OFOIJIXJCYZHFG-UHFFFAOYSA-N 1 2 335.379 0.798 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCCc3nn(C)cc32)C1 ZINC001267690146 838258187 /nfs/dbraw/zinc/25/81/87/838258187.db2.gz WVZOUMWEWZPQQO-CQSZACIVSA-N 1 2 345.447 0.190 20 30 ECEDLO C[C@@]1(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)CCNC1=O ZINC001267693027 838272588 /nfs/dbraw/zinc/27/25/88/838272588.db2.gz RBQVFGABDJRJKY-GOSISDBHSA-N 1 2 344.390 0.772 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@H](C)c2cccnc2)C1 ZINC001267697587 838287428 /nfs/dbraw/zinc/28/74/28/838287428.db2.gz MQRSMDMUTQJXBT-ZIAGYGMSSA-N 1 2 328.416 0.371 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cnn(C)c1C ZINC001267705537 838309893 /nfs/dbraw/zinc/30/98/93/838309893.db2.gz DOAWJZUNGRCBJN-IRXDYDNUSA-N 1 2 330.432 0.596 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cnn(C)c1C ZINC001267705537 838309900 /nfs/dbraw/zinc/30/99/00/838309900.db2.gz DOAWJZUNGRCBJN-IRXDYDNUSA-N 1 2 330.432 0.596 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@H+](CC(=O)NCc2cccnc2)C1 ZINC001267721773 838375794 /nfs/dbraw/zinc/37/57/94/838375794.db2.gz JHQHGAZYVILLBI-YJBOKZPZSA-N 1 2 346.431 0.215 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCc2cccnc2)C1 ZINC001267721773 838375802 /nfs/dbraw/zinc/37/58/02/838375802.db2.gz JHQHGAZYVILLBI-YJBOKZPZSA-N 1 2 346.431 0.215 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncoc2[C@H]2CCCO2)C1 ZINC001267728048 838409595 /nfs/dbraw/zinc/40/95/95/838409595.db2.gz SCDNNVAIJJQYQB-QWHCGFSZSA-N 1 2 348.403 0.632 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncoc2[C@H]2CCCO2)C1 ZINC001267728048 838409598 /nfs/dbraw/zinc/40/95/98/838409598.db2.gz SCDNNVAIJJQYQB-QWHCGFSZSA-N 1 2 348.403 0.632 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(N(C)C)cc2)C1 ZINC001267732423 838420365 /nfs/dbraw/zinc/42/03/65/838420365.db2.gz PNLKGOIMTWHFKG-HNNXBMFYSA-N 1 2 328.416 0.306 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(N(C)C)cc2)C1 ZINC001267732423 838420371 /nfs/dbraw/zinc/42/03/71/838420371.db2.gz PNLKGOIMTWHFKG-HNNXBMFYSA-N 1 2 328.416 0.306 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cccc(OC)n2)C1 ZINC001267732657 838421469 /nfs/dbraw/zinc/42/14/69/838421469.db2.gz KHQKYSRQSQYRLF-STQMWFEESA-N 1 2 332.404 0.585 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cccc(OC)n2)C1 ZINC001267732657 838421472 /nfs/dbraw/zinc/42/14/72/838421472.db2.gz KHQKYSRQSQYRLF-STQMWFEESA-N 1 2 332.404 0.585 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c(C)n[nH]c2C)C1 ZINC001267734280 838426990 /nfs/dbraw/zinc/42/69/90/838426990.db2.gz BKGFQPMKEGCIBD-DOMZBBRYSA-N 1 2 345.447 0.145 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c(C)n[nH]c2C)C1 ZINC001267734280 838426995 /nfs/dbraw/zinc/42/69/95/838426995.db2.gz BKGFQPMKEGCIBD-DOMZBBRYSA-N 1 2 345.447 0.145 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)C1 ZINC001267734281 838427051 /nfs/dbraw/zinc/42/70/51/838427051.db2.gz BKGFQPMKEGCIBD-WFASDCNBSA-N 1 2 345.447 0.145 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)C1 ZINC001267734281 838427054 /nfs/dbraw/zinc/42/70/54/838427054.db2.gz BKGFQPMKEGCIBD-WFASDCNBSA-N 1 2 345.447 0.145 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(C(F)F)CC2)C1 ZINC001267741785 838443141 /nfs/dbraw/zinc/44/31/41/838443141.db2.gz MSVDTQUSARBODY-SNVBAGLBSA-N 1 2 344.362 0.234 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(C(F)F)CC2)C1 ZINC001267741785 838443147 /nfs/dbraw/zinc/44/31/47/838443147.db2.gz MSVDTQUSARBODY-SNVBAGLBSA-N 1 2 344.362 0.234 20 30 ECEDLO Cc1cc(C)n(CCC(=O)N(C)[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)n1 ZINC001267769193 838514064 /nfs/dbraw/zinc/51/40/64/838514064.db2.gz VDFUGHBOLKQBDO-OAHLLOKOSA-N 1 2 346.435 0.063 20 30 ECEDLO Cc1cc(C)n(CCC(=O)N(C)[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)n1 ZINC001267769193 838514069 /nfs/dbraw/zinc/51/40/69/838514069.db2.gz VDFUGHBOLKQBDO-OAHLLOKOSA-N 1 2 346.435 0.063 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCCS(C)(=O)=O)C1 ZINC001267771802 838522095 /nfs/dbraw/zinc/52/20/95/838522095.db2.gz NMCOIZJSWLZNKV-ZNMIVQPWSA-N 1 2 344.477 0.545 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCCS(C)(=O)=O)C1 ZINC001267771802 838522100 /nfs/dbraw/zinc/52/21/00/838522100.db2.gz NMCOIZJSWLZNKV-ZNMIVQPWSA-N 1 2 344.477 0.545 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2sc(C)nc2C)C1 ZINC001267776702 838541584 /nfs/dbraw/zinc/54/15/84/838541584.db2.gz DNAVPIWVGKUQNG-CYBMUJFWSA-N 1 2 334.445 0.656 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2sc(C)nc2C)C1 ZINC001267776702 838541585 /nfs/dbraw/zinc/54/15/85/838541585.db2.gz DNAVPIWVGKUQNG-CYBMUJFWSA-N 1 2 334.445 0.656 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)c2cncnc2C)C1 ZINC001267782852 838558121 /nfs/dbraw/zinc/55/81/21/838558121.db2.gz YTCCMIKSXZCHLU-AWEZNQCLSA-N 1 2 329.404 0.071 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cncnc2C)C1 ZINC001267782852 838558123 /nfs/dbraw/zinc/55/81/23/838558123.db2.gz YTCCMIKSXZCHLU-AWEZNQCLSA-N 1 2 329.404 0.071 20 30 ECEDLO CC#CCCCC(=O)N(CC)[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001267788654 838567342 /nfs/dbraw/zinc/56/73/42/838567342.db2.gz BRMTYEXVXBRSPW-AWEZNQCLSA-N 1 2 333.436 0.725 20 30 ECEDLO CC#CCCCC(=O)N(CC)[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001267788654 838567347 /nfs/dbraw/zinc/56/73/47/838567347.db2.gz BRMTYEXVXBRSPW-AWEZNQCLSA-N 1 2 333.436 0.725 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)c2cn(C)ccc2=O)C1 ZINC001267788160 838567969 /nfs/dbraw/zinc/56/79/69/838567969.db2.gz RGCOAQRPQBEKOV-AWEZNQCLSA-N 1 2 346.431 0.224 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cn(C)ccc2=O)C1 ZINC001267788160 838567975 /nfs/dbraw/zinc/56/79/75/838567975.db2.gz RGCOAQRPQBEKOV-AWEZNQCLSA-N 1 2 346.431 0.224 20 30 ECEDLO C#CCNC(=O)C[NH2+]C[C@](C)(NC(=O)C(F)C(F)(F)F)C1CC1 ZINC001267852538 838650738 /nfs/dbraw/zinc/65/07/38/838650738.db2.gz DTJUGRQCAXIQFC-YPMHNXCESA-N 1 2 337.317 0.511 20 30 ECEDLO C#CCNC(=O)C[NH2+]C[C@](C)(NC(=O)[C@@H](F)C(F)(F)F)C1CC1 ZINC001267852538 838650742 /nfs/dbraw/zinc/65/07/42/838650742.db2.gz DTJUGRQCAXIQFC-YPMHNXCESA-N 1 2 337.317 0.511 20 30 ECEDLO C#CCOCCC(=O)N[C@]1(C[NH2+]Cc2nnn(C)n2)CCCC[C@H]1C ZINC001267866016 838665248 /nfs/dbraw/zinc/66/52/48/838665248.db2.gz HLVRISCLPFGZED-PBHICJAKSA-N 1 2 348.451 0.405 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](C)n3cccn3)C2)nn1 ZINC001098619186 838727542 /nfs/dbraw/zinc/72/75/42/838727542.db2.gz VQELCEZPJCEECA-DZGCQCFKSA-N 1 2 327.392 0.232 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)CNC(C)=O)C1 ZINC001267970504 838891725 /nfs/dbraw/zinc/89/17/25/838891725.db2.gz SYHOMRKALODVGT-CQSZACIVSA-N 1 2 338.452 0.032 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)CNC(C)=O)C1 ZINC001267970504 838891736 /nfs/dbraw/zinc/89/17/36/838891736.db2.gz SYHOMRKALODVGT-CQSZACIVSA-N 1 2 338.452 0.032 20 30 ECEDLO C=CCOCC[N@@H+]1CCO[C@H](CNC(=O)c2cccnc2OC)C1 ZINC001268025717 839023765 /nfs/dbraw/zinc/02/37/65/839023765.db2.gz FJLMIEMXBUTZJK-CQSZACIVSA-N 1 2 335.404 0.723 20 30 ECEDLO C=CCOCC[N@H+]1CCO[C@H](CNC(=O)c2cccnc2OC)C1 ZINC001268025717 839023776 /nfs/dbraw/zinc/02/37/76/839023776.db2.gz FJLMIEMXBUTZJK-CQSZACIVSA-N 1 2 335.404 0.723 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CCC2(C[NH+](Cc3cnnn3CC)C2)CC1 ZINC001268044029 839199978 /nfs/dbraw/zinc/19/99/78/839199978.db2.gz VCQJVBRSWNYDQU-HNNXBMFYSA-N 1 2 345.447 0.761 20 30 ECEDLO CCC1(CC)C(=O)N(C)C(=O)N(C[C@H](O)C[N@H+](C)CCC#N)C1=O ZINC000414129884 282348521 /nfs/dbraw/zinc/34/85/21/282348521.db2.gz WARRRHLLGJSMRE-GFCCVEGCSA-N 1 2 338.408 0.420 20 30 ECEDLO CCC1(CC)C(=O)N(C)C(=O)N(C[C@H](O)C[N@@H+](C)CCC#N)C1=O ZINC000414129884 282348523 /nfs/dbraw/zinc/34/85/23/282348523.db2.gz WARRRHLLGJSMRE-GFCCVEGCSA-N 1 2 338.408 0.420 20 30 ECEDLO Cc1cc(N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c(C#N)c[nH+]1 ZINC000425208033 210018878 /nfs/dbraw/zinc/01/88/78/210018878.db2.gz OFYSPZGDHFRYNK-UHFFFAOYSA-N 1 2 341.371 0.059 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000195671420 241032771 /nfs/dbraw/zinc/03/27/71/241032771.db2.gz JPMWXOXSILUHGD-ZIAGYGMSSA-N 1 2 331.482 0.813 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000195671420 241032776 /nfs/dbraw/zinc/03/27/76/241032776.db2.gz JPMWXOXSILUHGD-ZIAGYGMSSA-N 1 2 331.482 0.813 20 30 ECEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000245782112 243156212 /nfs/dbraw/zinc/15/62/12/243156212.db2.gz CRPXXZCPYMEYSJ-UONOGXRCSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000245782112 243156219 /nfs/dbraw/zinc/15/62/19/243156219.db2.gz CRPXXZCPYMEYSJ-UONOGXRCSA-N 1 2 337.445 0.942 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000246084631 243189615 /nfs/dbraw/zinc/18/96/15/243189615.db2.gz IBVGRGIFBRINOF-RYUDHWBXSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000246084631 243189619 /nfs/dbraw/zinc/18/96/19/243189619.db2.gz IBVGRGIFBRINOF-RYUDHWBXSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)C[C@@H]1C ZINC000246088813 243194024 /nfs/dbraw/zinc/19/40/24/243194024.db2.gz JHAQPCLRHSYOCQ-KBPBESRZSA-N 1 2 337.445 0.775 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)C[C@@H]1C ZINC000246088813 243194030 /nfs/dbraw/zinc/19/40/30/243194030.db2.gz JHAQPCLRHSYOCQ-KBPBESRZSA-N 1 2 337.445 0.775 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(F)cc(F)c2)CC1 ZINC000264209216 246185277 /nfs/dbraw/zinc/18/52/77/246185277.db2.gz VMRHBGBDELINIZ-UHFFFAOYSA-N 1 2 335.354 0.862 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(F)cc(F)c2)CC1 ZINC000264209216 246185282 /nfs/dbraw/zinc/18/52/82/246185282.db2.gz VMRHBGBDELINIZ-UHFFFAOYSA-N 1 2 335.354 0.862 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)COc1ccccc1C#N ZINC000267662456 251234604 /nfs/dbraw/zinc/23/46/04/251234604.db2.gz KIBNZPYMQGZJAG-OAHLLOKOSA-N 1 2 333.388 0.089 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH2+][C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000177416168 254506550 /nfs/dbraw/zinc/50/65/50/254506550.db2.gz KEELBCNBZQDJRW-HNNXBMFYSA-N 1 2 338.795 0.642 20 30 ECEDLO C[C@H](NC(=O)N(C)CC[NH+]1CCOCC1)c1nnc2n1CCCC2 ZINC000330129648 254628401 /nfs/dbraw/zinc/62/84/01/254628401.db2.gz KCMJNPVCOWMAPI-ZDUSSCGKSA-N 1 2 336.440 0.853 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000425872800 254784731 /nfs/dbraw/zinc/78/47/31/254784731.db2.gz ZWRHRSOOQNDXOF-JSGCOSHPSA-N 1 2 328.372 0.658 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC[N@@H+]1CCO ZINC000489659750 254867576 /nfs/dbraw/zinc/86/75/76/254867576.db2.gz VYALYYQNPZTHDU-LLVKDONJSA-N 1 2 327.381 0.384 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC[N@H+]1CCO ZINC000489659750 254867577 /nfs/dbraw/zinc/86/75/77/254867577.db2.gz VYALYYQNPZTHDU-LLVKDONJSA-N 1 2 327.381 0.384 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496419222 255098549 /nfs/dbraw/zinc/09/85/49/255098549.db2.gz PYXJESHYCZCBTA-DYVFJYSZSA-N 1 2 341.452 0.981 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496419222 255098551 /nfs/dbraw/zinc/09/85/51/255098551.db2.gz PYXJESHYCZCBTA-DYVFJYSZSA-N 1 2 341.452 0.981 20 30 ECEDLO C#CCOc1ccccc1CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000265186191 533194686 /nfs/dbraw/zinc/19/46/86/533194686.db2.gz NTMZMWBIMFAOMA-INIZCTEOSA-N 1 2 330.432 0.744 20 30 ECEDLO C#CCOc1ccccc1CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000265186191 533194689 /nfs/dbraw/zinc/19/46/89/533194689.db2.gz NTMZMWBIMFAOMA-INIZCTEOSA-N 1 2 330.432 0.744 20 30 ECEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416658688 292046122 /nfs/dbraw/zinc/04/61/22/292046122.db2.gz GBUIIDRUGADTPO-KGLIPLIRSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416658688 292046125 /nfs/dbraw/zinc/04/61/25/292046125.db2.gz GBUIIDRUGADTPO-KGLIPLIRSA-N 1 2 337.445 0.942 20 30 ECEDLO COCC1(C#N)CC[NH+](CC(=O)N[C@@H](CC(C)C)C(=O)OC)CC1 ZINC000341997266 292208023 /nfs/dbraw/zinc/20/80/23/292208023.db2.gz WTWQAUCWFDXUJI-AWEZNQCLSA-N 1 2 339.436 0.942 20 30 ECEDLO C[C@](O)(CNC(=O)c1c(F)cc(C#N)cc1F)C[NH+]1CCOCC1 ZINC000121652331 296647693 /nfs/dbraw/zinc/64/76/93/296647693.db2.gz AJNSKCYTSRZHKQ-INIZCTEOSA-N 1 2 339.342 0.649 20 30 ECEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cnc(C#N)cn2)CC1 ZINC000123762291 222328940 /nfs/dbraw/zinc/32/89/40/222328940.db2.gz JDBOMCFNGCXRCW-CYBMUJFWSA-N 1 2 328.420 0.918 20 30 ECEDLO CCC[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H]1CC(=O)N(C)C1=O ZINC000282378881 264038411 /nfs/dbraw/zinc/03/84/11/264038411.db2.gz CSUHHRVKWIRCIR-CQSZACIVSA-N 1 2 328.372 0.966 20 30 ECEDLO CCC[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H]1CC(=O)N(C)C1=O ZINC000282378881 264038412 /nfs/dbraw/zinc/03/84/12/264038412.db2.gz CSUHHRVKWIRCIR-CQSZACIVSA-N 1 2 328.372 0.966 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(S(=O)(=O)Cc3cccc(C#N)c3)C[C@H]21 ZINC000284812362 264240676 /nfs/dbraw/zinc/24/06/76/264240676.db2.gz ZUMAUYVLGARBQZ-HZPDHXFCSA-N 1 2 335.429 0.793 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(S(=O)(=O)Cc3cccc(C#N)c3)C[C@H]21 ZINC000284812362 264240677 /nfs/dbraw/zinc/24/06/77/264240677.db2.gz ZUMAUYVLGARBQZ-HZPDHXFCSA-N 1 2 335.429 0.793 20 30 ECEDLO N#Cc1ncn(CCNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)n1 ZINC000286436330 264397644 /nfs/dbraw/zinc/39/76/44/264397644.db2.gz QYSVHYPYQQZJFN-GFCCVEGCSA-N 1 2 328.380 0.403 20 30 ECEDLO N#Cc1ncn(CCNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)n1 ZINC000286436330 264397646 /nfs/dbraw/zinc/39/76/46/264397646.db2.gz QYSVHYPYQQZJFN-GFCCVEGCSA-N 1 2 328.380 0.403 20 30 ECEDLO N#Cc1ncn(CCNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)n1 ZINC000286436334 264397697 /nfs/dbraw/zinc/39/76/97/264397697.db2.gz QYSVHYPYQQZJFN-LBPRGKRZSA-N 1 2 328.380 0.403 20 30 ECEDLO N#Cc1ncn(CCNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)n1 ZINC000286436334 264397699 /nfs/dbraw/zinc/39/76/99/264397699.db2.gz QYSVHYPYQQZJFN-LBPRGKRZSA-N 1 2 328.380 0.403 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1=O ZINC000341642518 270006067 /nfs/dbraw/zinc/00/60/67/270006067.db2.gz VXFIGQVBUBKTHW-ZDUSSCGKSA-N 1 2 326.360 0.541 20 30 ECEDLO N#Cc1ncn(CCNC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)n1 ZINC000344280563 270006480 /nfs/dbraw/zinc/00/64/80/270006480.db2.gz ZWZBUUMSTZLXIN-UHFFFAOYSA-N 1 2 344.766 0.950 20 30 ECEDLO N#Cc1cnn(-c2ccc(C(=O)N3CC[NH+](CCO)CC3)cc2)c1N ZINC000362404716 270007160 /nfs/dbraw/zinc/00/71/60/270007160.db2.gz ULSXLPTWEZFEOZ-UHFFFAOYSA-N 1 2 340.387 0.076 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)o1 ZINC000374807323 270007825 /nfs/dbraw/zinc/00/78/25/270007825.db2.gz PCRTXDGWSKPJSW-OAHLLOKOSA-N 1 2 339.417 0.778 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)o1 ZINC000374807323 270007826 /nfs/dbraw/zinc/00/78/26/270007826.db2.gz PCRTXDGWSKPJSW-OAHLLOKOSA-N 1 2 339.417 0.778 20 30 ECEDLO CN(C)C(=O)COC1C[NH+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000353009191 266486852 /nfs/dbraw/zinc/48/68/52/266486852.db2.gz FPKBTPPOBBFAEJ-CQSZACIVSA-N 1 2 333.388 0.087 20 30 ECEDLO CN(C)c1cc(C#N)cc(C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)c1 ZINC000293459329 266515366 /nfs/dbraw/zinc/51/53/66/266515366.db2.gz QOPQGEWTJMADTF-UHFFFAOYSA-N 1 2 343.431 0.646 20 30 ECEDLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N(C)Cc2ccc(C#N)cc2)CC1 ZINC000297965381 267191304 /nfs/dbraw/zinc/19/13/04/267191304.db2.gz SWBIXKKQJBWOSE-AWEZNQCLSA-N 1 2 344.415 0.042 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)cc1 ZINC000375571879 268066494 /nfs/dbraw/zinc/06/64/94/268066494.db2.gz QFTIJMVZMDWTPG-QGZVFWFLSA-N 1 2 328.372 0.749 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)cc1 ZINC000375571879 268066496 /nfs/dbraw/zinc/06/64/96/268066496.db2.gz QFTIJMVZMDWTPG-QGZVFWFLSA-N 1 2 328.372 0.749 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)cc1 ZINC000299101618 268067428 /nfs/dbraw/zinc/06/74/28/268067428.db2.gz SCFZWWKLTXDFPX-INIZCTEOSA-N 1 2 326.400 0.917 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H]2C(=O)NC2CC2)cc1 ZINC000299101618 268067431 /nfs/dbraw/zinc/06/74/31/268067431.db2.gz SCFZWWKLTXDFPX-INIZCTEOSA-N 1 2 326.400 0.917 20 30 ECEDLO N#Cc1ccc(CSCC(=O)NCCC[N@@H+]2CCNC(=O)C2)cc1 ZINC000338130968 268082867 /nfs/dbraw/zinc/08/28/67/268082867.db2.gz DXMWJIOCDDWSMB-UHFFFAOYSA-N 1 2 346.456 0.730 20 30 ECEDLO N#Cc1ccc(CSCC(=O)NCCC[N@H+]2CCNC(=O)C2)cc1 ZINC000338130968 268082871 /nfs/dbraw/zinc/08/28/71/268082871.db2.gz DXMWJIOCDDWSMB-UHFFFAOYSA-N 1 2 346.456 0.730 20 30 ECEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3OCC(=O)N[C@@H]3C2)cc1Cl ZINC000370709130 268141400 /nfs/dbraw/zinc/14/14/00/268141400.db2.gz QYVDIKCCOQTQJE-KGLIPLIRSA-N 1 2 348.790 0.739 20 30 ECEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H]3OCC(=O)N[C@@H]3C2)cc1Cl ZINC000370709130 268141402 /nfs/dbraw/zinc/14/14/02/268141402.db2.gz QYVDIKCCOQTQJE-KGLIPLIRSA-N 1 2 348.790 0.739 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](n3cccn3)C2)nc1 ZINC000291771359 268188512 /nfs/dbraw/zinc/18/85/12/268188512.db2.gz LSPZZIZRSYDLPZ-CQSZACIVSA-N 1 2 331.401 0.870 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](n3cccn3)C2)nc1 ZINC000291771359 268188513 /nfs/dbraw/zinc/18/85/13/268188513.db2.gz LSPZZIZRSYDLPZ-CQSZACIVSA-N 1 2 331.401 0.870 20 30 ECEDLO N#Cc1cccc(CN2CC[NH+](CCS(N)(=O)=O)CC2)c1F ZINC000340828017 268247724 /nfs/dbraw/zinc/24/77/24/268247724.db2.gz ASHSMUVLVCLVCZ-UHFFFAOYSA-N 1 2 326.397 0.103 20 30 ECEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c1 ZINC000365528658 268266525 /nfs/dbraw/zinc/26/65/25/268266525.db2.gz MSACDIRUCCNCBD-INIZCTEOSA-N 1 2 327.344 0.171 20 30 ECEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c1 ZINC000365528658 268266526 /nfs/dbraw/zinc/26/65/26/268266526.db2.gz MSACDIRUCCNCBD-INIZCTEOSA-N 1 2 327.344 0.171 20 30 ECEDLO N#Cc1ccnc(N2CC[NH+](CCN3C[C@H]4CC[C@@H](C3)O4)CC2)c1 ZINC000329220906 268294233 /nfs/dbraw/zinc/29/42/33/268294233.db2.gz UDZAUXIXZGUPMA-CALCHBBNSA-N 1 2 327.432 0.938 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ncc(C(=O)OC)s1 ZINC000425495070 276900175 /nfs/dbraw/zinc/90/01/75/276900175.db2.gz YTDZRBMQUODJJU-QMMMGPOBSA-N 1 2 326.378 0.592 20 30 ECEDLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000189402067 437597161 /nfs/dbraw/zinc/59/71/61/437597161.db2.gz WFLHPGJZYWRPGJ-NSHDSACASA-N 1 2 334.351 0.161 20 30 ECEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352889404 278017004 /nfs/dbraw/zinc/01/70/04/278017004.db2.gz YNFMWGJFWMNJQP-COXVUDFISA-N 1 2 328.416 0.880 20 30 ECEDLO C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)c1nnc2n1CCC2 ZINC000329237279 289233358 /nfs/dbraw/zinc/23/33/58/289233358.db2.gz OXWGUUTXLBIOPP-MELADBBJSA-N 1 2 348.451 0.994 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N(C)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000337157445 297952314 /nfs/dbraw/zinc/95/23/14/297952314.db2.gz PWPACDMUYIDIPN-MGPQQGTHSA-N 1 2 332.470 0.364 20 30 ECEDLO C[C@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CCN1S(C)(=O)=O ZINC000329744300 300092738 /nfs/dbraw/zinc/09/27/38/300092738.db2.gz XSOSGVBUQDJKDI-QWRGUYRKSA-N 1 2 341.437 0.147 20 30 ECEDLO C[C@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CCN1S(C)(=O)=O ZINC000329744300 300092740 /nfs/dbraw/zinc/09/27/40/300092740.db2.gz XSOSGVBUQDJKDI-QWRGUYRKSA-N 1 2 341.437 0.147 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2nc3ccsc3c(=O)[nH]2)CC1 ZINC000073278547 436075796 /nfs/dbraw/zinc/07/57/96/436075796.db2.gz SHQMDJCCJKYSQZ-UHFFFAOYSA-N 1 2 345.428 0.264 20 30 ECEDLO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCN(CC(N)=O)CC1 ZINC000073368271 436076192 /nfs/dbraw/zinc/07/61/92/436076192.db2.gz SQCPXHMFYITNBP-MRXNPFEDSA-N 1 2 333.432 0.258 20 30 ECEDLO COC(=O)CCNC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023258559 436125418 /nfs/dbraw/zinc/12/54/18/436125418.db2.gz OGLGGAFTSSWKSK-UHFFFAOYSA-N 1 2 344.415 0.355 20 30 ECEDLO CN(CCC#N)S(=O)(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000028053939 436187089 /nfs/dbraw/zinc/18/70/89/436187089.db2.gz MFSAVCFWGXMMCS-UHFFFAOYSA-N 1 2 339.421 0.098 20 30 ECEDLO Cc1[nH+]c2cc(NC(=O)C(=O)N3CCO[C@H](C#N)C3)ccc2n1C ZINC000076282912 436197700 /nfs/dbraw/zinc/19/77/00/436197700.db2.gz XEFLDNFISWBWHM-GFCCVEGCSA-N 1 2 327.344 0.571 20 30 ECEDLO Cc1cc(NC(=O)CN(CCC#N)CC[NH+]2CCOCC2)n(C)n1 ZINC000081515403 436349402 /nfs/dbraw/zinc/34/94/02/436349402.db2.gz KIIMGFANWCLCCF-UHFFFAOYSA-N 1 2 334.424 0.215 20 30 ECEDLO C#CCN1CCN(C(=O)C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000081643262 436353026 /nfs/dbraw/zinc/35/30/26/436353026.db2.gz LSGPBYIHUSJWCZ-UHFFFAOYSA-N 1 2 326.444 0.586 20 30 ECEDLO C[C@H](C(=O)Nc1ccccc1C#N)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000083245864 436370526 /nfs/dbraw/zinc/37/05/26/436370526.db2.gz BTUHNQQEBBBYIX-ZBFHGGJFSA-N 1 2 346.431 0.510 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2N(C)C(C)=O)CC1 ZINC000085277856 436387457 /nfs/dbraw/zinc/38/74/57/436387457.db2.gz JGDKCMQYAVVDMN-UHFFFAOYSA-N 1 2 328.416 0.859 20 30 ECEDLO COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000050176278 436473653 /nfs/dbraw/zinc/47/36/53/436473653.db2.gz JCZXJYZCZNMLON-UHFFFAOYSA-N 1 2 328.372 0.812 20 30 ECEDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000092843781 436478403 /nfs/dbraw/zinc/47/84/03/436478403.db2.gz CLKOYLYDTDCGSA-CYBMUJFWSA-N 1 2 342.465 0.343 20 30 ECEDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000092843781 436478408 /nfs/dbraw/zinc/47/84/08/436478408.db2.gz CLKOYLYDTDCGSA-CYBMUJFWSA-N 1 2 342.465 0.343 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(Cc2ccc(C#N)o2)CC1 ZINC000093057071 436480909 /nfs/dbraw/zinc/48/09/09/436480909.db2.gz QKNVUCKGIXDGJW-AWEZNQCLSA-N 1 2 334.420 0.810 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)CN1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000052395373 436508143 /nfs/dbraw/zinc/50/81/43/436508143.db2.gz FTEJOKVSJYZUIO-CABCVRRESA-N 1 2 349.479 0.279 20 30 ECEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000052508731 436509544 /nfs/dbraw/zinc/50/95/44/436509544.db2.gz QILCFOUEPSHDEE-UHFFFAOYSA-N 1 2 326.404 0.837 20 30 ECEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(N3CCNC3=O)CC2)c1 ZINC000053281788 436528040 /nfs/dbraw/zinc/52/80/40/436528040.db2.gz XZNAGMBKLKRLQJ-UHFFFAOYSA-N 1 2 327.388 0.986 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000102930301 436553533 /nfs/dbraw/zinc/55/35/33/436553533.db2.gz GGOKAUHGKBPSDC-CGZBRXJRSA-N 1 2 348.491 0.437 20 30 ECEDLO C#CCNC(=O)[C@H](C)N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000103491845 436556460 /nfs/dbraw/zinc/55/64/60/436556460.db2.gz JTLMCUOFBKNXKW-LSDHHAIUSA-N 1 2 334.464 0.189 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000103491845 436556463 /nfs/dbraw/zinc/55/64/63/436556463.db2.gz JTLMCUOFBKNXKW-LSDHHAIUSA-N 1 2 334.464 0.189 20 30 ECEDLO C[C@H]([C@H](C)NC(=O)C(=O)Nc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000105740394 436577033 /nfs/dbraw/zinc/57/70/33/436577033.db2.gz AQFGVNWGCVWUOV-QWHCGFSZSA-N 1 2 330.388 0.722 20 30 ECEDLO C#Cc1cccc(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000105741396 436577151 /nfs/dbraw/zinc/57/71/51/436577151.db2.gz YGMSTXTUXPTHHI-KGLIPLIRSA-N 1 2 329.400 0.832 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000057551458 436613093 /nfs/dbraw/zinc/61/30/93/436613093.db2.gz IUIXUGDUFWBDFJ-LSDHHAIUSA-N 1 2 336.436 0.175 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000057551459 436613536 /nfs/dbraw/zinc/61/35/36/436613536.db2.gz IUIXUGDUFWBDFJ-HUUCEWRRSA-N 1 2 336.436 0.175 20 30 ECEDLO Cc1cccc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)c1C#N ZINC000416670828 302014433 /nfs/dbraw/zinc/01/44/33/302014433.db2.gz UTXIAZZJDMOQMP-KBPBESRZSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cccc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)c1C#N ZINC000416670828 302014437 /nfs/dbraw/zinc/01/44/37/302014437.db2.gz UTXIAZZJDMOQMP-KBPBESRZSA-N 1 2 337.445 0.942 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2COc3ccccc32)CC1 ZINC000113173011 436636075 /nfs/dbraw/zinc/63/60/75/436636075.db2.gz JWXZTQNRPYWDMK-INIZCTEOSA-N 1 2 341.411 0.446 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2COc3ccccc32)CC1 ZINC000113173011 436636076 /nfs/dbraw/zinc/63/60/76/436636076.db2.gz JWXZTQNRPYWDMK-INIZCTEOSA-N 1 2 341.411 0.446 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C)c(C)c2O)CC1 ZINC000113433406 436637658 /nfs/dbraw/zinc/63/76/58/436637658.db2.gz QBZHFFHRHWDCSL-UHFFFAOYSA-N 1 2 343.427 0.906 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C)c(C)c2O)CC1 ZINC000113433406 436637660 /nfs/dbraw/zinc/63/76/60/436637660.db2.gz QBZHFFHRHWDCSL-UHFFFAOYSA-N 1 2 343.427 0.906 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(N(C)C)ccn2)CC1 ZINC000113433386 436638054 /nfs/dbraw/zinc/63/80/54/436638054.db2.gz ZUSLUYPZDFANKS-UHFFFAOYSA-N 1 2 343.431 0.045 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(N(C)C)ccn2)CC1 ZINC000113433386 436638056 /nfs/dbraw/zinc/63/80/56/436638056.db2.gz ZUSLUYPZDFANKS-UHFFFAOYSA-N 1 2 343.431 0.045 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2ccc(C#N)nc2)CC1 ZINC000115325303 436646282 /nfs/dbraw/zinc/64/62/82/436646282.db2.gz XLGGOKRRBLQVRL-UHFFFAOYSA-N 1 2 348.370 0.592 20 30 ECEDLO C=CC[C@@H](C)NC(=O)N1CC[NH+]([C@@H](C)C(=O)NCCCOC)CC1 ZINC000116971974 436656030 /nfs/dbraw/zinc/65/60/30/436656030.db2.gz ABXPFDNKXCNNRX-CABCVRRESA-N 1 2 340.468 0.819 20 30 ECEDLO C[C@@H]1C[N@@H+](CCN(C)S(=O)(=O)c2ccc(C#N)nc2)C[C@H](C)O1 ZINC000194021233 436656719 /nfs/dbraw/zinc/65/67/19/436656719.db2.gz QEGLWOWVEXUOIE-BETUJISGSA-N 1 2 338.433 0.683 20 30 ECEDLO C[C@@H]1C[N@H+](CCN(C)S(=O)(=O)c2ccc(C#N)nc2)C[C@H](C)O1 ZINC000194021233 436656721 /nfs/dbraw/zinc/65/67/21/436656721.db2.gz QEGLWOWVEXUOIE-BETUJISGSA-N 1 2 338.433 0.683 20 30 ECEDLO C#CC[C@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1ccccc1 ZINC000271736133 436694431 /nfs/dbraw/zinc/69/44/31/436694431.db2.gz UDIUGQSEYHNZKQ-ZDUSSCGKSA-N 1 2 337.383 0.815 20 30 ECEDLO COCCCNC(=O)C[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000198743813 436695001 /nfs/dbraw/zinc/69/50/01/436695001.db2.gz DHVUHEDRXQKJOT-UHFFFAOYSA-N 1 2 338.452 0.756 20 30 ECEDLO COCCCNC(=O)C[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000198743813 436695005 /nfs/dbraw/zinc/69/50/05/436695005.db2.gz DHVUHEDRXQKJOT-UHFFFAOYSA-N 1 2 338.452 0.756 20 30 ECEDLO C=C(C)COCCNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000119356881 436667440 /nfs/dbraw/zinc/66/74/40/436667440.db2.gz AOXKIUPQJKCFCD-UHFFFAOYSA-N 1 2 337.424 0.930 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H](OCC)C(=C)C)CC1 ZINC000270017845 436670398 /nfs/dbraw/zinc/67/03/98/436670398.db2.gz CRGMCICDWDRDFZ-INIZCTEOSA-N 1 2 335.448 0.641 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](OCC)C(=C)C)CC1 ZINC000270017845 436670401 /nfs/dbraw/zinc/67/04/01/436670401.db2.gz CRGMCICDWDRDFZ-INIZCTEOSA-N 1 2 335.448 0.641 20 30 ECEDLO C=CCCO[C@H](C)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000066318618 436681806 /nfs/dbraw/zinc/68/18/06/436681806.db2.gz MXZXFAHSEUZQHP-OAHLLOKOSA-N 1 2 333.436 0.696 20 30 ECEDLO COC(=O)CCNC(=O)C[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000066437584 436685116 /nfs/dbraw/zinc/68/51/16/436685116.db2.gz LGNXKKGIFLPEIB-UHFFFAOYSA-N 1 2 345.403 0.145 20 30 ECEDLO COC(=O)CCNC(=O)C[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000066437584 436685119 /nfs/dbraw/zinc/68/51/19/436685119.db2.gz LGNXKKGIFLPEIB-UHFFFAOYSA-N 1 2 345.403 0.145 20 30 ECEDLO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCN(C(=O)CO)CC1 ZINC000152764869 436739718 /nfs/dbraw/zinc/73/97/18/436739718.db2.gz DFRHENFKTHHGGZ-MRXNPFEDSA-N 1 2 334.416 0.291 20 30 ECEDLO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000152811448 436741373 /nfs/dbraw/zinc/74/13/73/436741373.db2.gz ZLMAFXYZRPHMBV-WBVHZDCISA-N 1 2 348.443 0.680 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)[C@@H](C)C1 ZINC000248662647 436807667 /nfs/dbraw/zinc/80/76/67/436807667.db2.gz YPIQGMQMCCUMGC-RYUDHWBXSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)[C@@H](C)C1 ZINC000248662647 436807670 /nfs/dbraw/zinc/80/76/70/436807670.db2.gz YPIQGMQMCCUMGC-RYUDHWBXSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)[C@H]1C[N@H+](C)CCO1 ZINC000125869867 436779035 /nfs/dbraw/zinc/77/90/35/436779035.db2.gz RCPZDLGODGFPJH-QMTHXVAHSA-N 1 2 327.381 0.695 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000125869867 436779039 /nfs/dbraw/zinc/77/90/39/436779039.db2.gz RCPZDLGODGFPJH-QMTHXVAHSA-N 1 2 327.381 0.695 20 30 ECEDLO Cc1nc(CN2CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)no1 ZINC000247002570 436788970 /nfs/dbraw/zinc/78/89/70/436788970.db2.gz BPEBCZUYXXJLAH-QGZVFWFLSA-N 1 2 348.451 0.940 20 30 ECEDLO Cc1nc(CN2CCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)no1 ZINC000247002570 436788973 /nfs/dbraw/zinc/78/89/73/436788973.db2.gz BPEBCZUYXXJLAH-QGZVFWFLSA-N 1 2 348.451 0.940 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2(CCOC)CCCC2)CC1 ZINC000155482341 436796775 /nfs/dbraw/zinc/79/67/75/436796775.db2.gz WBODQVSFFKGZPG-UHFFFAOYSA-N 1 2 349.475 0.867 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(CCOC)CCCC2)CC1 ZINC000155482341 436796776 /nfs/dbraw/zinc/79/67/76/436796776.db2.gz WBODQVSFFKGZPG-UHFFFAOYSA-N 1 2 349.475 0.867 20 30 ECEDLO Cc1cc(NC(=O)CO[NH+]=C(N)c2ccc3c(c2)CCO3)n(C)n1 ZINC000158228193 436840972 /nfs/dbraw/zinc/84/09/72/436840972.db2.gz XKZRWZKKJBKSKX-UHFFFAOYSA-N 1 2 329.360 0.939 20 30 ECEDLO C#CCOc1ccc(C(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)cc1 ZINC000160269701 436867925 /nfs/dbraw/zinc/86/79/25/436867925.db2.gz YUVLQMOTTKNVMI-UHFFFAOYSA-N 1 2 343.427 0.935 20 30 ECEDLO C#CCOc1ccc(C(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)cc1 ZINC000160269701 436867928 /nfs/dbraw/zinc/86/79/28/436867928.db2.gz YUVLQMOTTKNVMI-UHFFFAOYSA-N 1 2 343.427 0.935 20 30 ECEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000293358146 436869571 /nfs/dbraw/zinc/86/95/71/436869571.db2.gz JTXQPFMNMZCGCC-AWEZNQCLSA-N 1 2 329.448 0.990 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000279710075 436833677 /nfs/dbraw/zinc/83/36/77/436833677.db2.gz KFOQNCGAKYTIDC-CYBMUJFWSA-N 1 2 326.441 0.429 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000279710075 436833679 /nfs/dbraw/zinc/83/36/79/436833679.db2.gz KFOQNCGAKYTIDC-CYBMUJFWSA-N 1 2 326.441 0.429 20 30 ECEDLO C=CC[N@@H+](C)CC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC000275057928 436915438 /nfs/dbraw/zinc/91/54/38/436915438.db2.gz OAHJJSONBWSGPG-KRWDZBQOSA-N 1 2 346.387 0.611 20 30 ECEDLO C=CC[N@H+](C)CC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC000275057928 436915439 /nfs/dbraw/zinc/91/54/39/436915439.db2.gz OAHJJSONBWSGPG-KRWDZBQOSA-N 1 2 346.387 0.611 20 30 ECEDLO C[C@@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)C[NH+]1CCOCC1 ZINC000293617095 436893499 /nfs/dbraw/zinc/89/34/99/436893499.db2.gz YRIIOHRHMSXDAW-LBPRGKRZSA-N 1 2 341.408 0.944 20 30 ECEDLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NS(=O)(=O)CCC#N ZINC000295620852 436975126 /nfs/dbraw/zinc/97/51/26/436975126.db2.gz OKRKMUASRUXNDE-CQSZACIVSA-N 1 2 337.449 0.425 20 30 ECEDLO C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)[C@H](C)[NH+]1CCOCC1 ZINC000136198504 436929787 /nfs/dbraw/zinc/92/97/87/436929787.db2.gz DNDHDSVZCBVXPU-NEPJUHHUSA-N 1 2 348.378 0.861 20 30 ECEDLO CN(CCCO)C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000297936826 437022341 /nfs/dbraw/zinc/02/23/41/437022341.db2.gz VFZLHUWBJSJIPS-UHFFFAOYSA-N 1 2 344.415 0.043 20 30 ECEDLO CN(C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000297673525 437011524 /nfs/dbraw/zinc/01/15/24/437011524.db2.gz AJNGPUOOHWJYPJ-UHFFFAOYSA-N 1 2 326.400 0.823 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)OCC)C1 ZINC000298587852 437043966 /nfs/dbraw/zinc/04/39/66/437043966.db2.gz XPRCFMNDKJRTBC-NEPJUHHUSA-N 1 2 326.397 0.597 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)OCC)C1 ZINC000298587852 437043971 /nfs/dbraw/zinc/04/39/71/437043971.db2.gz XPRCFMNDKJRTBC-NEPJUHHUSA-N 1 2 326.397 0.597 20 30 ECEDLO N#C[C@@H]1CN(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CCO1 ZINC000336950490 303162126 /nfs/dbraw/zinc/16/21/26/303162126.db2.gz SYXQINMOECVXAO-VXGBXAGGSA-N 1 2 325.394 0.406 20 30 ECEDLO C[C@H](CNc1ccc(S(N)(=O)=O)cc1C#N)[NH+]1CCN(C)CC1 ZINC000301425374 437123837 /nfs/dbraw/zinc/12/38/37/437123837.db2.gz TWHXTCAQSKPEDQ-GFCCVEGCSA-N 1 2 337.449 0.253 20 30 ECEDLO CC(=O)NC1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000176221183 437134761 /nfs/dbraw/zinc/13/47/61/437134761.db2.gz IJUCTPWFDKKADM-UHFFFAOYSA-N 1 2 335.429 0.932 20 30 ECEDLO CNC(=O)C[NH+]1CCN(c2nc3cc(Cl)ccn3c2C#N)CC1 ZINC000286844571 437136109 /nfs/dbraw/zinc/13/61/09/437136109.db2.gz GCJYNCXRCRHKSE-UHFFFAOYSA-N 1 2 332.795 0.727 20 30 ECEDLO C=CC[C@@H](CO)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000302136069 437138045 /nfs/dbraw/zinc/13/80/45/437138045.db2.gz MLDQCFXJHQIWAC-ZDUSSCGKSA-N 1 2 340.449 0.367 20 30 ECEDLO C[C@@H]1CCN(C([O-])=[NH+]Cc2cc(C(N)=O)no2)C[C@H]1n1cc[nH+]c1 ZINC000328731552 437257089 /nfs/dbraw/zinc/25/70/89/437257089.db2.gz WYPSCKSIFKMLBS-ZWNOBZJWSA-N 1 2 332.364 0.967 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1)C1CC1 ZINC000333021500 437257430 /nfs/dbraw/zinc/25/74/30/437257430.db2.gz BEUGCNHEYXAMQH-PXAZEXFGSA-N 1 2 328.420 1.047 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1)C1CC1 ZINC000333021500 437257435 /nfs/dbraw/zinc/25/74/35/437257435.db2.gz BEUGCNHEYXAMQH-PXAZEXFGSA-N 1 2 328.420 1.047 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000333168486 437261402 /nfs/dbraw/zinc/26/14/02/437261402.db2.gz PFRGWKMNEVXZAK-SJCJKPOMSA-N 1 2 347.419 0.392 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000336904202 437307582 /nfs/dbraw/zinc/30/75/82/437307582.db2.gz SKQOSPBWXZSFFN-UHFFFAOYSA-N 1 2 346.497 0.757 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000336913731 437309629 /nfs/dbraw/zinc/30/96/29/437309629.db2.gz LEJRNXAINAOALF-HNNXBMFYSA-N 1 2 346.497 0.803 20 30 ECEDLO CC(C)(CNC(=O)CCN1CCCS1(=O)=O)[NH+]1CCOCC1 ZINC000328880580 437277501 /nfs/dbraw/zinc/27/75/01/437277501.db2.gz LWQPDBFUOFLUOU-UHFFFAOYSA-N 1 2 333.454 0.479 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CC(=O)N(C(C)(C)C)C3)C[C@H]21 ZINC000328888123 437279404 /nfs/dbraw/zinc/27/94/04/437279404.db2.gz PXNZBCZYIBTJBR-MGPQQGTHSA-N 1 2 338.452 0.705 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CC(=O)N(C(C)(C)C)C3)C[C@H]21 ZINC000328888123 437279408 /nfs/dbraw/zinc/27/94/08/437279408.db2.gz PXNZBCZYIBTJBR-MGPQQGTHSA-N 1 2 338.452 0.705 20 30 ECEDLO COc1ccc(NC(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)nn1 ZINC000329012314 437302336 /nfs/dbraw/zinc/30/23/36/437302336.db2.gz DZALIKANIIVKSZ-LLVKDONJSA-N 1 2 348.407 1.142 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)C1=O ZINC000337189774 437340594 /nfs/dbraw/zinc/34/05/94/437340594.db2.gz RHRHNHURODMHRZ-CVEARBPZSA-N 1 2 335.448 0.877 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)C1=O ZINC000337189774 437340599 /nfs/dbraw/zinc/34/05/99/437340599.db2.gz RHRHNHURODMHRZ-CVEARBPZSA-N 1 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ZINC000337518862 437361106 /nfs/dbraw/zinc/36/11/06/437361106.db2.gz NVMGQIWESSNKKX-HIFRSBDPSA-N 1 2 329.466 0.940 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337518862 437361111 /nfs/dbraw/zinc/36/11/11/437361111.db2.gz NVMGQIWESSNKKX-HIFRSBDPSA-N 1 2 329.466 0.940 20 30 ECEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000278960046 437361278 /nfs/dbraw/zinc/36/12/78/437361278.db2.gz ZOCRUGWTXCTAMB-BHYGNILZSA-N 1 2 331.416 0.976 20 30 ECEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000278960046 437361280 /nfs/dbraw/zinc/36/12/80/437361280.db2.gz ZOCRUGWTXCTAMB-BHYGNILZSA-N 1 2 331.416 0.976 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(c2c(F)c(F)nc(F)c2F)CC1 ZINC000268067191 437361978 /nfs/dbraw/zinc/36/19/78/437361978.db2.gz CLSFVPCWJBRXJP-UHFFFAOYSA-N 1 2 344.312 0.900 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2c(F)c(F)nc(F)c2F)CC1 ZINC000268067191 437361983 /nfs/dbraw/zinc/36/19/83/437361983.db2.gz CLSFVPCWJBRXJP-UHFFFAOYSA-N 1 2 344.312 0.900 20 30 ECEDLO CC(C)N1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1=O ZINC000329407144 437363613 /nfs/dbraw/zinc/36/36/13/437363613.db2.gz ZOLDVOVWVSOTIY-UHFFFAOYSA-N 1 2 326.441 0.564 20 30 ECEDLO CC(C)N1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1=O ZINC000329407144 437363617 /nfs/dbraw/zinc/36/36/17/437363617.db2.gz ZOLDVOVWVSOTIY-UHFFFAOYSA-N 1 2 326.441 0.564 20 30 ECEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279099617 437374029 /nfs/dbraw/zinc/37/40/29/437374029.db2.gz QOSIDAGFXZKHNM-GTNSWQLSSA-N 1 2 341.371 0.559 20 30 ECEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279099617 437374032 /nfs/dbraw/zinc/37/40/32/437374032.db2.gz QOSIDAGFXZKHNM-GTNSWQLSSA-N 1 2 341.371 0.559 20 30 ECEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCOCC2(CC2)C1 ZINC000329492736 437374679 /nfs/dbraw/zinc/37/46/79/437374679.db2.gz ZTDBOFWZMFKOCU-UHFFFAOYSA-N 1 2 349.435 0.873 20 30 ECEDLO C#CCNC(=O)[C@H](C)ON=C(N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181852111 437331489 /nfs/dbraw/zinc/33/14/89/437331489.db2.gz ICDQDMWXPYXWFP-GOEBONIOSA-N 1 2 344.415 0.314 20 30 ECEDLO C#CCNC(=O)[C@H](C)ON=C(N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181852111 437331494 /nfs/dbraw/zinc/33/14/94/437331494.db2.gz ICDQDMWXPYXWFP-GOEBONIOSA-N 1 2 344.415 0.314 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)C1=O ZINC000337137439 437334235 /nfs/dbraw/zinc/33/42/35/437334235.db2.gz PLTLKCVYFFSPLL-IRXDYDNUSA-N 1 2 348.491 0.792 20 30 ECEDLO C=CCN1CC[C@H](N2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)C1=O ZINC000337137439 437334237 /nfs/dbraw/zinc/33/42/37/437334237.db2.gz PLTLKCVYFFSPLL-IRXDYDNUSA-N 1 2 348.491 0.792 20 30 ECEDLO CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329207296 437335714 /nfs/dbraw/zinc/33/57/14/437335714.db2.gz FDBPJQFXHQCAEF-AJNGGQMLSA-N 1 2 349.435 0.662 20 30 ECEDLO CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329207296 437335716 /nfs/dbraw/zinc/33/57/16/437335716.db2.gz FDBPJQFXHQCAEF-AJNGGQMLSA-N 1 2 349.435 0.662 20 30 ECEDLO CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2COCCN2CC(F)F)CC1 ZINC000329235433 437338886 /nfs/dbraw/zinc/33/88/86/437338886.db2.gz IPNGRYLXTMEBGH-ZDUSSCGKSA-N 1 2 348.394 0.073 20 30 ECEDLO CN(C)c1nccc([C@@H]2CN(C(=O)NCc3[nH+]ccn3C)CCO2)n1 ZINC000329713935 437402910 /nfs/dbraw/zinc/40/29/10/437402910.db2.gz SFIXFNZXPKALBE-ZDUSSCGKSA-N 1 2 345.407 0.764 20 30 ECEDLO C[C@H](CNC(=O)N[C@@H]1CCCS(=O)(=O)C1)C[NH+]1CCOCC1 ZINC000329802917 437415056 /nfs/dbraw/zinc/41/50/56/437415056.db2.gz ZJAWYTCEJXRGNT-CHWSQXEVSA-N 1 2 333.454 0.036 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCC#Cc1cccc(F)c1 ZINC000338727526 437415937 /nfs/dbraw/zinc/41/59/37/437415937.db2.gz BRDKLMVSXKGDLM-KRWDZBQOSA-N 1 2 349.406 0.512 20 30 ECEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc(=O)[nH][nH]3)C2)c(C#N)c1C ZINC000289561029 437423925 /nfs/dbraw/zinc/42/39/25/437423925.db2.gz XUERSMIBOALGDW-LLVKDONJSA-N 1 2 344.375 0.998 20 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ZINC000330257112 437475966 /nfs/dbraw/zinc/47/59/66/437475966.db2.gz LEMFJINJFWVRQX-KGLIPLIRSA-N 1 2 348.451 0.692 20 30 ECEDLO C[N@@H+]1CCN(C2CCN(c3nc4ccccn4c3C#N)CC2)C(=O)C1 ZINC000359910328 437484112 /nfs/dbraw/zinc/48/41/12/437484112.db2.gz ZXFJYHAHVZMRMX-UHFFFAOYSA-N 1 2 338.415 0.949 20 30 ECEDLO C[N@H+]1CCN(C2CCN(c3nc4ccccn4c3C#N)CC2)C(=O)C1 ZINC000359910328 437484119 /nfs/dbraw/zinc/48/41/19/437484119.db2.gz ZXFJYHAHVZMRMX-UHFFFAOYSA-N 1 2 338.415 0.949 20 30 ECEDLO CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329953739 437435437 /nfs/dbraw/zinc/43/54/37/437435437.db2.gz NYKCMMYJPJTWHI-XQQFMLRXSA-N 1 2 334.424 0.604 20 30 ECEDLO CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329953739 437435441 /nfs/dbraw/zinc/43/54/41/437435441.db2.gz NYKCMMYJPJTWHI-XQQFMLRXSA-N 1 2 334.424 0.604 20 30 ECEDLO CN(C)C(=O)c1cccc(NC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1 ZINC000329974594 437440242 /nfs/dbraw/zinc/44/02/42/437440242.db2.gz 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ECEDLO C=CCCC[N@@H+](C)CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000347334060 437874439 /nfs/dbraw/zinc/87/44/39/437874439.db2.gz RFDSJXWTHDJAHC-CQSZACIVSA-N 1 2 332.466 0.547 20 30 ECEDLO C=CCCC[N@H+](C)CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000347334060 437874445 /nfs/dbraw/zinc/87/44/45/437874445.db2.gz RFDSJXWTHDJAHC-CQSZACIVSA-N 1 2 332.466 0.547 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000365062663 437853418 /nfs/dbraw/zinc/85/34/18/437853418.db2.gz QYVRNFPKLLGLJU-UHFFFAOYSA-N 1 2 340.424 0.941 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000365062663 437853422 /nfs/dbraw/zinc/85/34/22/437853422.db2.gz QYVRNFPKLLGLJU-UHFFFAOYSA-N 1 2 340.424 0.941 20 30 ECEDLO C[C@H](C#N)S(=O)(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000416367483 437922297 /nfs/dbraw/zinc/92/22/97/437922297.db2.gz FZZRMZZYOPEHEN-CYBMUJFWSA-N 1 2 340.424 0.779 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)CN1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000347529726 437904024 /nfs/dbraw/zinc/90/40/24/437904024.db2.gz NLIFCMUBOORYIZ-OAHLLOKOSA-N 1 2 332.452 0.546 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(Cc2cnn(C)c2)CC1 ZINC000347529726 437904027 /nfs/dbraw/zinc/90/40/27/437904027.db2.gz NLIFCMUBOORYIZ-OAHLLOKOSA-N 1 2 332.452 0.546 20 30 ECEDLO C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]2c2[nH+]ccn2C)C1=O ZINC000371465601 437937869 /nfs/dbraw/zinc/93/78/69/437937869.db2.gz GFJWCMHJULUYKU-NSHDSACASA-N 1 2 345.359 0.060 20 30 ECEDLO CC[C@H](C)[C@@H](NC(=O)C[NH+]1CCC(C#N)(COC)CC1)C(=O)OC ZINC000341998645 437938201 /nfs/dbraw/zinc/93/82/01/437938201.db2.gz VHUJFPLIRMDPEI-DZGCQCFKSA-N 1 2 339.436 0.942 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)nn1 ZINC000424783424 437991326 /nfs/dbraw/zinc/99/13/26/437991326.db2.gz PVZFMAXWKOWMGR-UHFFFAOYSA-N 1 2 327.392 0.915 20 30 ECEDLO COCCN(CCC#N)S(=O)(=O)NCCc1ccc(C)c[nH+]1 ZINC000416506020 437948879 /nfs/dbraw/zinc/94/88/79/437948879.db2.gz GXHHUVMYVKBHCV-UHFFFAOYSA-N 1 2 326.422 0.629 20 30 ECEDLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CC[N@H+](C)C1 ZINC000416585549 437967090 /nfs/dbraw/zinc/96/70/90/437967090.db2.gz NYPGYBMJFXBGGT-SNVBAGLBSA-N 1 2 343.430 0.345 20 30 ECEDLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CC[N@@H+](C)C1 ZINC000416585549 437967094 /nfs/dbraw/zinc/96/70/94/437967094.db2.gz NYPGYBMJFXBGGT-SNVBAGLBSA-N 1 2 343.430 0.345 20 30 ECEDLO C=CCOCCNC(=O)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000371649198 437972541 /nfs/dbraw/zinc/97/25/41/437972541.db2.gz FVHDCMVMYTUTGV-UHFFFAOYSA-N 1 2 340.468 0.821 20 30 ECEDLO C=CCOCCNC(=O)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000371649198 437972545 /nfs/dbraw/zinc/97/25/45/437972545.db2.gz FVHDCMVMYTUTGV-UHFFFAOYSA-N 1 2 340.468 0.821 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[NH+](C3(C(N)=O)CCCC3)CC2)cn1 ZINC000371664234 437975622 /nfs/dbraw/zinc/97/56/22/437975622.db2.gz QSKXVBMCWZPJTE-UHFFFAOYSA-N 1 2 327.388 0.509 20 30 ECEDLO C=CCOc1ccccc1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000347889301 437976858 /nfs/dbraw/zinc/97/68/58/437976858.db2.gz DZYYICBNGKQIPF-UHFFFAOYSA-N 1 2 347.415 0.430 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc2c(cn1)OCCO2 ZINC000424627482 437978917 /nfs/dbraw/zinc/97/89/17/437978917.db2.gz KVLGZIQKDOQUJX-UHFFFAOYSA-N 1 2 346.387 0.541 20 30 ECEDLO N#CC[C@@H](CC(=O)N[C@@H](CO)C[NH+]1CCOCC1)c1ccccc1 ZINC000425296736 438019731 /nfs/dbraw/zinc/01/97/31/438019731.db2.gz TUBQOXHXIIEJIR-DLBZAZTESA-N 1 2 331.416 0.883 20 30 ECEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000425612759 438029708 /nfs/dbraw/zinc/02/97/08/438029708.db2.gz QXVIHVSHIGPNPS-KCQAQPDRSA-N 1 2 333.436 0.673 20 30 ECEDLO COc1cc[nH+]cc1CNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N ZINC000342349616 438006267 /nfs/dbraw/zinc/00/62/67/438006267.db2.gz ZZFOESXFXIEVEA-UHFFFAOYSA-N 1 2 342.359 0.994 20 30 ECEDLO CC[C@@H]1C[C@@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)CC(=O)N1 ZINC000348742794 438090845 /nfs/dbraw/zinc/09/08/45/438090845.db2.gz VQQMBPCRMRFQKE-HUUCEWRRSA-N 1 2 336.436 0.366 20 30 ECEDLO COC(=O)CN(CC#N)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000348784867 438100031 /nfs/dbraw/zinc/10/00/31/438100031.db2.gz PKSXOXJYZBBQHO-UHFFFAOYSA-N 1 2 333.392 0.157 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000366659679 438109354 /nfs/dbraw/zinc/10/93/54/438109354.db2.gz ZXJFQGZVQKKDNW-ZBFHGGJFSA-N 1 2 338.452 0.431 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000366659679 438109360 /nfs/dbraw/zinc/10/93/60/438109360.db2.gz ZXJFQGZVQKKDNW-ZBFHGGJFSA-N 1 2 338.452 0.431 20 30 ECEDLO C=CC[N@@H+](C)CCN(CC)[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000429712786 438105104 /nfs/dbraw/zinc/10/51/04/438105104.db2.gz CEKSHMXOAITWCH-HUUCEWRRSA-N 1 2 345.509 0.460 20 30 ECEDLO C=CC[N@H+](C)CCN(CC)[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000429712786 438105110 /nfs/dbraw/zinc/10/51/10/438105110.db2.gz CEKSHMXOAITWCH-HUUCEWRRSA-N 1 2 345.509 0.460 20 30 ECEDLO C=CCN(C)CC[N@@H+](CC)[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000429712786 438105112 /nfs/dbraw/zinc/10/51/12/438105112.db2.gz CEKSHMXOAITWCH-HUUCEWRRSA-N 1 2 345.509 0.460 20 30 ECEDLO C=CCN(C)CC[N@H+](CC)[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000429712786 438105116 /nfs/dbraw/zinc/10/51/16/438105116.db2.gz CEKSHMXOAITWCH-HUUCEWRRSA-N 1 2 345.509 0.460 20 30 ECEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)Cn3cnnn3)CC2)cc1 ZINC000349059517 438130035 /nfs/dbraw/zinc/13/00/35/438130035.db2.gz CJRLJTBYXRSQBT-UHFFFAOYSA-N 1 2 342.403 0.582 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2nccnc2C)CC1 ZINC000366922660 438142660 /nfs/dbraw/zinc/14/26/60/438142660.db2.gz QHJICBVEEJHBJE-AWEZNQCLSA-N 1 2 330.436 0.915 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1C ZINC000349775789 438178793 /nfs/dbraw/zinc/17/87/93/438178793.db2.gz LDZUXUCCSQZCMC-UONOGXRCSA-N 1 2 330.454 0.262 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000367131227 438169066 /nfs/dbraw/zinc/16/90/66/438169066.db2.gz OXFXEWDDUNRRRW-KBPBESRZSA-N 1 2 337.449 0.976 20 30 ECEDLO CC(C)(C(=O)N1CCC[N@H+](CC(N)=O)CC1)c1cc(F)cc(C#N)c1 ZINC000367145593 438173424 /nfs/dbraw/zinc/17/34/24/438173424.db2.gz SNCQUPFSNWOGOS-UHFFFAOYSA-N 1 2 346.406 0.995 20 30 ECEDLO CC(C)(C(=O)N1CCC[N@@H+](CC(N)=O)CC1)c1cc(F)cc(C#N)c1 ZINC000367145593 438173426 /nfs/dbraw/zinc/17/34/26/438173426.db2.gz SNCQUPFSNWOGOS-UHFFFAOYSA-N 1 2 346.406 0.995 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000374716193 438225494 /nfs/dbraw/zinc/22/54/94/438225494.db2.gz KYFUORIESPKQJW-MRXNPFEDSA-N 1 2 335.448 0.619 20 30 ECEDLO CCN1CCO[C@H](C[NH+]2CCN(c3nc(C)cc(C#N)n3)CC2)C1 ZINC000376185527 438272281 /nfs/dbraw/zinc/27/22/81/438272281.db2.gz CFJNKNHSWMBXDL-INIZCTEOSA-N 1 2 330.436 0.499 20 30 ECEDLO CN1CCN(c2cc(S(N)(=O)=O)ccc2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000376424220 438280793 /nfs/dbraw/zinc/28/07/93/438280793.db2.gz ZBEYHAAPMGCFDM-CQSZACIVSA-N 1 2 346.416 0.422 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H](O)CC(C)(C)C)CC1 ZINC000368280963 438308953 /nfs/dbraw/zinc/30/89/53/438308953.db2.gz VBIJTYDOUSMWQD-HNNXBMFYSA-N 1 2 337.464 0.457 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](O)CC(C)(C)C)CC1 ZINC000368280963 438308957 /nfs/dbraw/zinc/30/89/57/438308957.db2.gz VBIJTYDOUSMWQD-HNNXBMFYSA-N 1 2 337.464 0.457 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCN(c2ccc(=O)[nH]n2)CC1 ZINC000369138850 438427189 /nfs/dbraw/zinc/42/71/89/438427189.db2.gz XBIUHSHEEVCPES-INIZCTEOSA-N 1 2 332.408 0.359 20 30 ECEDLO C=CCC(C)(C)CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000352546537 438437452 /nfs/dbraw/zinc/43/74/52/438437452.db2.gz WQSQPRIKXVYKMG-HNNXBMFYSA-N 1 2 337.464 0.886 20 30 ECEDLO Cc1oc(C#N)cc1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000436131294 438401607 /nfs/dbraw/zinc/40/16/07/438401607.db2.gz LHLYRCATZIYBIY-UHFFFAOYSA-N 1 2 340.387 0.802 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000352243075 438402325 /nfs/dbraw/zinc/40/23/25/438402325.db2.gz WLIDWSPZLRDDOI-OAHLLOKOSA-N 1 2 344.481 0.302 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(C(=O)NCC)cn2)CC1 ZINC000352784451 438474655 /nfs/dbraw/zinc/47/46/55/438474655.db2.gz UOMOZVROHDJALU-UHFFFAOYSA-N 1 2 331.420 0.256 20 30 ECEDLO N#CC1(CS(=O)(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CCCC1 ZINC000352875956 438486202 /nfs/dbraw/zinc/48/62/02/438486202.db2.gz ZSWFAKOSJZXUPC-UHFFFAOYSA-N 1 2 337.449 0.941 20 30 ECEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCO[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000369319602 438452170 /nfs/dbraw/zinc/45/21/70/438452170.db2.gz PCVDXCLSSAVBJR-GVDBMIGSSA-N 1 2 337.464 0.442 20 30 ECEDLO COC1(CO)CC[NH+](CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000401711795 438460386 /nfs/dbraw/zinc/46/03/86/438460386.db2.gz IMUCACRXTROYIJ-UHFFFAOYSA-N 1 2 338.429 0.805 20 30 ECEDLO CC[C@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@@]2(CCOC2)O1 ZINC000369706662 438507830 /nfs/dbraw/zinc/50/78/30/438507830.db2.gz LWAMRQLBUDSZEW-DOTOQJQBSA-N 1 2 334.420 0.912 20 30 ECEDLO CC[C@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@@]2(CCOC2)O1 ZINC000369706662 438507834 /nfs/dbraw/zinc/50/78/34/438507834.db2.gz LWAMRQLBUDSZEW-DOTOQJQBSA-N 1 2 334.420 0.912 20 30 ECEDLO C[C@H]1C[N@H+](C[C@@H]2CN(C)CCO2)CCN1C(=O)C1(C#N)CCCC1 ZINC000370050924 438545945 /nfs/dbraw/zinc/54/59/45/438545945.db2.gz UGDUNJJXFUXEPN-HOTGVXAUSA-N 1 2 334.464 0.934 20 30 ECEDLO C[C@H]1C[N@@H+](C[C@@H]2CN(C)CCO2)CCN1C(=O)C1(C#N)CCCC1 ZINC000370050924 438545948 /nfs/dbraw/zinc/54/59/48/438545948.db2.gz UGDUNJJXFUXEPN-HOTGVXAUSA-N 1 2 334.464 0.934 20 30 ECEDLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000370332166 438570916 /nfs/dbraw/zinc/57/09/16/438570916.db2.gz JBHJXNAOWOXTJJ-UHFFFAOYSA-N 1 2 336.342 0.730 20 30 ECEDLO CNC(=O)C[N@H+]1CCCN(C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000370332166 438570919 /nfs/dbraw/zinc/57/09/19/438570919.db2.gz JBHJXNAOWOXTJJ-UHFFFAOYSA-N 1 2 336.342 0.730 20 30 ECEDLO Cc1cccc(NC(=O)C(=O)NCC[N@H+]2CCOC[C@H]2C)c1C#N ZINC000441818841 438592028 /nfs/dbraw/zinc/59/20/28/438592028.db2.gz JCKASKOPGZCDCM-CYBMUJFWSA-N 1 2 330.388 0.642 20 30 ECEDLO Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCOC[C@H]2C)c1C#N ZINC000441818841 438592032 /nfs/dbraw/zinc/59/20/32/438592032.db2.gz JCKASKOPGZCDCM-CYBMUJFWSA-N 1 2 330.388 0.642 20 30 ECEDLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000452100906 438639417 /nfs/dbraw/zinc/63/94/17/438639417.db2.gz FPHFLNFVSLSEJL-JTQLQIEISA-N 1 2 345.371 0.524 20 30 ECEDLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000452100906 438639421 /nfs/dbraw/zinc/63/94/21/438639421.db2.gz FPHFLNFVSLSEJL-JTQLQIEISA-N 1 2 345.371 0.524 20 30 ECEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000494733166 438706238 /nfs/dbraw/zinc/70/62/38/438706238.db2.gz CZQGYRXCWSXPKY-CQSZACIVSA-N 1 2 336.417 0.510 20 30 ECEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000494733166 438706240 /nfs/dbraw/zinc/70/62/40/438706240.db2.gz CZQGYRXCWSXPKY-CQSZACIVSA-N 1 2 336.417 0.510 20 30 ECEDLO COCC1(C#N)CCN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000494192269 438680220 /nfs/dbraw/zinc/68/02/20/438680220.db2.gz PQPFJIFNNUAMKJ-HNNXBMFYSA-N 1 2 336.436 0.811 20 30 ECEDLO COCC1(C#N)CCN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000494192269 438680223 /nfs/dbraw/zinc/68/02/23/438680223.db2.gz PQPFJIFNNUAMKJ-HNNXBMFYSA-N 1 2 336.436 0.811 20 30 ECEDLO C[C@H]1C[C@@]1(C#N)C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000448707112 438685192 /nfs/dbraw/zinc/68/51/92/438685192.db2.gz CAEPYDOMLFJSRN-UGSOOPFHSA-N 1 2 326.400 0.979 20 30 ECEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000453716705 438690917 /nfs/dbraw/zinc/69/09/17/438690917.db2.gz MIWCAKZWQPECSA-CYBMUJFWSA-N 1 2 330.388 0.330 20 30 ECEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000453716705 438690919 /nfs/dbraw/zinc/69/09/19/438690919.db2.gz MIWCAKZWQPECSA-CYBMUJFWSA-N 1 2 330.388 0.330 20 30 ECEDLO N#Cc1cscc1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000550912292 438738037 /nfs/dbraw/zinc/73/80/37/438738037.db2.gz PDFUYODUPSHBJK-UHFFFAOYSA-N 1 2 331.401 1.401 20 30 ECEDLO N#CCc1ccc(CS(=O)(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000575119548 438738530 /nfs/dbraw/zinc/73/85/30/438738530.db2.gz VFEUWFBOGMKAMN-UHFFFAOYSA-N 1 2 337.445 0.894 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCCO)C2)s1 ZINC000451666516 438707395 /nfs/dbraw/zinc/70/73/95/438707395.db2.gz HIWVPFZEGGNGKT-NSHDSACASA-N 1 2 329.447 0.745 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)s1 ZINC000451666516 438707397 /nfs/dbraw/zinc/70/73/97/438707397.db2.gz HIWVPFZEGGNGKT-NSHDSACASA-N 1 2 329.447 0.745 20 30 ECEDLO C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000554054859 438760419 /nfs/dbraw/zinc/76/04/19/438760419.db2.gz HAMILCPIRCQRIJ-HZPDHXFCSA-N 1 2 335.448 0.947 20 30 ECEDLO CCn1cnc2c(c1=O)CC[N@@H+]([C@@H](C)C(=O)NC1(C#N)CCC1)C2 ZINC000560405130 438841148 /nfs/dbraw/zinc/84/11/48/438841148.db2.gz MLUPGHGOQDIRSA-LBPRGKRZSA-N 1 2 329.404 0.572 20 30 ECEDLO CCn1cnc2c(c1=O)CC[N@H+]([C@@H](C)C(=O)NC1(C#N)CCC1)C2 ZINC000560405130 438841154 /nfs/dbraw/zinc/84/11/54/438841154.db2.gz MLUPGHGOQDIRSA-LBPRGKRZSA-N 1 2 329.404 0.572 20 30 ECEDLO C=CCC[C@@H](CO)NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000457953471 438845350 /nfs/dbraw/zinc/84/53/50/438845350.db2.gz RJCKFQIGQYNKLZ-HOCLYGCPSA-N 1 2 343.493 0.821 20 30 ECEDLO N#Cc1ccncc1N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000590012088 438897625 /nfs/dbraw/zinc/89/76/25/438897625.db2.gz KZILBRIEHKSEMC-UHFFFAOYSA-N 1 2 327.348 0.880 20 30 ECEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000590120453 438901561 /nfs/dbraw/zinc/90/15/61/438901561.db2.gz QWUSYOBQMRMEGV-CYBMUJFWSA-N 1 2 328.390 0.372 20 30 ECEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000590120453 438901567 /nfs/dbraw/zinc/90/15/67/438901567.db2.gz QWUSYOBQMRMEGV-CYBMUJFWSA-N 1 2 328.390 0.372 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000562896968 438856477 /nfs/dbraw/zinc/85/64/77/438856477.db2.gz JHCIRWPQAGONTP-CFVMTHIKSA-N 1 2 336.436 0.324 20 30 ECEDLO N#Cc1cc(O)cc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)c1 ZINC000589189788 438861259 /nfs/dbraw/zinc/86/12/59/438861259.db2.gz SGYWQVTZTUFURI-KRWDZBQOSA-N 1 2 345.399 0.827 20 30 ECEDLO CC(C)(CNC(=O)C(=O)Nc1cccc(C#N)n1)[NH+]1CCOCC1 ZINC000515381244 438864379 /nfs/dbraw/zinc/86/43/79/438864379.db2.gz BTQXBVBAEBATGM-UHFFFAOYSA-N 1 2 331.376 0.119 20 30 ECEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCOC[C@@H]1C#N ZINC000589433051 438872444 /nfs/dbraw/zinc/87/24/44/438872444.db2.gz WVCJNHPXRQVBHQ-UONOGXRCSA-N 1 2 333.392 0.234 20 30 ECEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCOC[C@@H]1C#N ZINC000589433051 438872448 /nfs/dbraw/zinc/87/24/48/438872448.db2.gz WVCJNHPXRQVBHQ-UONOGXRCSA-N 1 2 333.392 0.234 20 30 ECEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@](F)(C#N)C1 ZINC000589492526 438874382 /nfs/dbraw/zinc/87/43/82/438874382.db2.gz SHXFWNBRJOCCND-XJKSGUPXSA-N 1 2 335.383 0.947 20 30 ECEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@](F)(C#N)C1 ZINC000589492526 438874387 /nfs/dbraw/zinc/87/43/87/438874387.db2.gz SHXFWNBRJOCCND-XJKSGUPXSA-N 1 2 335.383 0.947 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000601424920 438888232 /nfs/dbraw/zinc/88/82/32/438888232.db2.gz RIZSPWUOSLRBDJ-GJZGRUSLSA-N 1 2 344.481 0.509 20 30 ECEDLO C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1[nH]cc[nH+]1 ZINC000578337741 438917601 /nfs/dbraw/zinc/91/76/01/438917601.db2.gz PSPSUCDJZQWARN-MNOVXSKESA-N 1 2 347.400 0.826 20 30 ECEDLO Cn1ncc(C#N)c1N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000596059821 438920375 /nfs/dbraw/zinc/92/03/75/438920375.db2.gz AJNRRTGXMWLQDD-UHFFFAOYSA-N 1 2 330.436 0.816 20 30 ECEDLO C[N@@H+]1C[C@H]2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)[C@@H]2C1 ZINC000590442048 438923283 /nfs/dbraw/zinc/92/32/83/438923283.db2.gz FXIWLGGDVWALRK-HZPDHXFCSA-N 1 2 347.440 0.636 20 30 ECEDLO C[N@H+]1C[C@H]2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)[C@@H]2C1 ZINC000590442048 438923288 /nfs/dbraw/zinc/92/32/88/438923288.db2.gz FXIWLGGDVWALRK-HZPDHXFCSA-N 1 2 347.440 0.636 20 30 ECEDLO CCn1c2ccccc2n(CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1=O ZINC000565051876 438908662 /nfs/dbraw/zinc/90/86/62/438908662.db2.gz RUCLGNVGSBZWKZ-QGZVFWFLSA-N 1 2 329.404 0.783 20 30 ECEDLO N#Cc1ncn(CC(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)n1 ZINC000601729932 438959873 /nfs/dbraw/zinc/95/98/73/438959873.db2.gz QJDODPANDAPRCD-UHFFFAOYSA-N 1 2 326.360 0.200 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ncccc2C(=O)OC)CC1 ZINC000459280533 438954516 /nfs/dbraw/zinc/95/45/16/438954516.db2.gz NFYMQWKHXCYSMW-UHFFFAOYSA-N 1 2 332.404 0.288 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCC2(C#N)CC2)CC1 ZINC000565576404 438962201 /nfs/dbraw/zinc/96/22/01/438962201.db2.gz HSZCZZIJDBNNNQ-UHFFFAOYSA-N 1 2 340.391 0.499 20 30 ECEDLO C=C(C)C[C@H](NC(=O)C[NH+]1CCN(c2ccccn2)CC1)C(=O)OC ZINC000601783697 438971515 /nfs/dbraw/zinc/97/15/15/438971515.db2.gz YGUBQOLHZUOCRH-HNNXBMFYSA-N 1 2 346.431 0.828 20 30 ECEDLO CN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCC[C@H]1C#N ZINC000601810672 438975087 /nfs/dbraw/zinc/97/50/87/438975087.db2.gz ORJSGENKAGIZCJ-ARFHVFGLSA-N 1 2 348.447 0.318 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000579475460 439011108 /nfs/dbraw/zinc/01/11/08/439011108.db2.gz WGXHEQLRZDLDKM-CYBMUJFWSA-N 1 2 334.405 0.115 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000579475460 439011112 /nfs/dbraw/zinc/01/11/12/439011112.db2.gz WGXHEQLRZDLDKM-CYBMUJFWSA-N 1 2 334.405 0.115 20 30 ECEDLO C=CCSCCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000602244414 439046618 /nfs/dbraw/zinc/04/66/18/439046618.db2.gz FQPJVNBLXZSPHS-INIZCTEOSA-N 1 2 343.493 0.821 20 30 ECEDLO C=CCSCCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000602244414 439046622 /nfs/dbraw/zinc/04/66/22/439046622.db2.gz FQPJVNBLXZSPHS-INIZCTEOSA-N 1 2 343.493 0.821 20 30 ECEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000459998220 439051531 /nfs/dbraw/zinc/05/15/31/439051531.db2.gz UIQRTYLCVYGGCI-UHFFFAOYSA-N 1 2 345.443 0.992 20 30 ECEDLO N#CC1(CC(=O)NCC(=O)NCC[NH+]2CCOCC2)CCCCC1 ZINC000597208013 439058586 /nfs/dbraw/zinc/05/85/86/439058586.db2.gz JEQMFUODFPKRIX-UHFFFAOYSA-N 1 2 336.436 0.415 20 30 ECEDLO COC(=O)c1cnc([C@H](C)NC[C@@H](O)C[N@H+](C)CCC#N)s1 ZINC000519540368 439037450 /nfs/dbraw/zinc/03/74/50/439037450.db2.gz PIYKZEGJLNICFD-WDEREUQCSA-N 1 2 326.422 0.787 20 30 ECEDLO COC(=O)c1cnc([C@H](C)NC[C@@H](O)C[N@@H+](C)CCC#N)s1 ZINC000519540368 439037454 /nfs/dbraw/zinc/03/74/54/439037454.db2.gz PIYKZEGJLNICFD-WDEREUQCSA-N 1 2 326.422 0.787 20 30 ECEDLO CS(=O)(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000566299779 439037541 /nfs/dbraw/zinc/03/75/41/439037541.db2.gz BEGOOYRQSJMTHX-UHFFFAOYSA-N 1 2 338.389 0.934 20 30 ECEDLO CS(=O)(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000566299779 439037545 /nfs/dbraw/zinc/03/75/45/439037545.db2.gz BEGOOYRQSJMTHX-UHFFFAOYSA-N 1 2 338.389 0.934 20 30 ECEDLO N#Cc1cccc(C[NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)n1 ZINC000602630062 439118324 /nfs/dbraw/zinc/11/83/24/439118324.db2.gz SLCDJEMOSNSNQA-UHFFFAOYSA-N 1 2 334.445 0.648 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCC1(C#N)CCC1 ZINC000602325676 439065656 /nfs/dbraw/zinc/06/56/56/439065656.db2.gz DFWFXWVYGGABLT-KRWDZBQOSA-N 1 2 336.436 0.595 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCC1(C#N)CCC1 ZINC000602325676 439065661 /nfs/dbraw/zinc/06/56/61/439065661.db2.gz DFWFXWVYGGABLT-KRWDZBQOSA-N 1 2 336.436 0.595 20 30 ECEDLO Cn1c[nH+]cc1CNC(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000580268455 439075043 /nfs/dbraw/zinc/07/50/43/439075043.db2.gz RYFVSVRUDDUSNR-UHFFFAOYSA-N 1 2 325.376 0.719 20 30 ECEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)NCCOc2ccc3c(c2)OCO3)C1 ZINC000592149689 439167371 /nfs/dbraw/zinc/16/73/71/439167371.db2.gz UOLWBFVRLJUJKG-KRWDZBQOSA-N 1 2 347.371 0.261 20 30 ECEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)NCCOc2ccc3c(c2)OCO3)C1 ZINC000592149689 439167374 /nfs/dbraw/zinc/16/73/74/439167374.db2.gz UOLWBFVRLJUJKG-KRWDZBQOSA-N 1 2 347.371 0.261 20 30 ECEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000592149373 439167643 /nfs/dbraw/zinc/16/76/43/439167643.db2.gz NWCOYTGKWBAZBC-MRXNPFEDSA-N 1 2 330.344 0.834 20 30 ECEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000592149373 439167648 /nfs/dbraw/zinc/16/76/48/439167648.db2.gz NWCOYTGKWBAZBC-MRXNPFEDSA-N 1 2 330.344 0.834 20 30 ECEDLO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149233 439167722 /nfs/dbraw/zinc/16/77/22/439167722.db2.gz LFMYQWZGRPEVPV-YVEFUNNKSA-N 1 2 328.372 0.711 20 30 ECEDLO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149233 439167724 /nfs/dbraw/zinc/16/77/24/439167724.db2.gz LFMYQWZGRPEVPV-YVEFUNNKSA-N 1 2 328.372 0.711 20 30 ECEDLO N#CC1CCN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000522980708 439161308 /nfs/dbraw/zinc/16/13/08/439161308.db2.gz YXGKPRVMXVYXJT-UHFFFAOYSA-N 1 2 347.463 0.876 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2nc(CO)cs2)nc1 ZINC000592432821 439225919 /nfs/dbraw/zinc/22/59/19/439225919.db2.gz VJBSKGWFKBKVOF-UHFFFAOYSA-N 1 2 338.414 0.466 20 30 ECEDLO N#CCCN(C(=O)Cn1cc([C@H]2COCC[NH2+]2)nn1)c1ccccc1 ZINC000603165740 439199926 /nfs/dbraw/zinc/19/99/26/439199926.db2.gz JVOQEHKWXFTRSX-MRXNPFEDSA-N 1 2 340.387 0.886 20 30 ECEDLO CC(C)CN1C[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CCN2C1=O ZINC000488733816 439200348 /nfs/dbraw/zinc/20/03/48/439200348.db2.gz MNLHVGKDOLUALX-CABCVRRESA-N 1 2 335.452 0.825 20 30 ECEDLO CC(C)CN1C[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CCN2C1=O ZINC000488733816 439200356 /nfs/dbraw/zinc/20/03/56/439200356.db2.gz MNLHVGKDOLUALX-CABCVRRESA-N 1 2 335.452 0.825 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)n1cc(C[NH+]2CCSCC2)nn1 ZINC000603198325 439208396 /nfs/dbraw/zinc/20/83/96/439208396.db2.gz RXANNBRINKXFCR-LLVKDONJSA-N 1 2 338.437 0.400 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)NC2(C(=O)OC)CCCCC2)nn1 ZINC000603209180 439208721 /nfs/dbraw/zinc/20/87/21/439208721.db2.gz HZGHGKJRZLRWRT-UHFFFAOYSA-N 1 2 347.419 0.383 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000568871577 439284845 /nfs/dbraw/zinc/28/48/45/439284845.db2.gz VGSHZSPFVKJILY-KRWDZBQOSA-N 1 2 343.387 0.312 20 30 ECEDLO C[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)CCO1 ZINC000568334542 439238901 /nfs/dbraw/zinc/23/89/01/439238901.db2.gz BLJIOLZDJGGVPL-NSHDSACASA-N 1 2 334.351 0.473 20 30 ECEDLO C[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)CCO1 ZINC000568334542 439238903 /nfs/dbraw/zinc/23/89/03/439238903.db2.gz BLJIOLZDJGGVPL-NSHDSACASA-N 1 2 334.351 0.473 20 30 ECEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3cc(C#N)ncn3)CC2)C1 ZINC000527130643 439254401 /nfs/dbraw/zinc/25/44/01/439254401.db2.gz LSINAJBRIWHDHK-GASCZTMLSA-N 1 2 342.447 0.975 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)[C@H](C)C1 ZINC000527136481 439254680 /nfs/dbraw/zinc/25/46/80/439254680.db2.gz DJESZJMSBUQXDQ-VXGBXAGGSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)[C@H](C)C1 ZINC000527136481 439254687 /nfs/dbraw/zinc/25/46/87/439254687.db2.gz DJESZJMSBUQXDQ-VXGBXAGGSA-N 1 2 341.408 0.773 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000491068189 439329032 /nfs/dbraw/zinc/32/90/32/439329032.db2.gz NATXQZXRWPMYOY-UHFFFAOYSA-N 1 2 344.371 0.995 20 30 ECEDLO CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000593008206 439329647 /nfs/dbraw/zinc/32/96/47/439329647.db2.gz RGXIIWGVEGAKRT-ZDUSSCGKSA-N 1 2 338.389 0.980 20 30 ECEDLO CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000593008206 439329654 /nfs/dbraw/zinc/32/96/54/439329654.db2.gz RGXIIWGVEGAKRT-ZDUSSCGKSA-N 1 2 338.389 0.980 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)S(=O)(=O)[C@H](CC)C2)CC1 ZINC000491096942 439329799 /nfs/dbraw/zinc/32/97/99/439329799.db2.gz YBGPRHZMSWGODW-UKRRQHHQSA-N 1 2 326.462 0.756 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCc4cnc(N)nc4C3)C2=O)cc1 ZINC000598950305 439332971 /nfs/dbraw/zinc/33/29/71/439332971.db2.gz PYCQESMWMAFCLE-MRXNPFEDSA-N 1 2 334.383 1.094 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCc4cnc(N)nc4C3)C2=O)cc1 ZINC000598950305 439332976 /nfs/dbraw/zinc/33/29/76/439332976.db2.gz PYCQESMWMAFCLE-MRXNPFEDSA-N 1 2 334.383 1.094 20 30 ECEDLO CC(=O)NC[C@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)CCO1 ZINC000528385668 439334050 /nfs/dbraw/zinc/33/40/50/439334050.db2.gz CHBKPTOVZDWISQ-HOTGVXAUSA-N 1 2 333.388 0.135 20 30 ECEDLO CC(=O)NC[C@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)CCO1 ZINC000528385668 439334055 /nfs/dbraw/zinc/33/40/55/439334055.db2.gz CHBKPTOVZDWISQ-HOTGVXAUSA-N 1 2 333.388 0.135 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000491126105 439334240 /nfs/dbraw/zinc/33/42/40/439334240.db2.gz KUFNNWQXDMPNIT-BRWVUGGUSA-N 1 2 348.491 0.531 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 ZINC000490712799 439288795 /nfs/dbraw/zinc/28/87/95/439288795.db2.gz GWJJCFWHZDOCBQ-ZIAGYGMSSA-N 1 2 349.435 0.423 20 30 ECEDLO C#CCN1CCN(C(=O)CO[NH+]=C(N)c2ccc(C)c(F)c2)CC1 ZINC000490759721 439297019 /nfs/dbraw/zinc/29/70/19/439297019.db2.gz FUTRGBIWGCTPNH-UHFFFAOYSA-N 1 2 332.379 0.758 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2nc(CC)c(CC)c(C#N)c2=O)CC1 ZINC000490778814 439297476 /nfs/dbraw/zinc/29/74/76/439297476.db2.gz LVSOILXHMRJICY-UHFFFAOYSA-N 1 2 341.415 0.017 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2CS(C)(=O)=O)CC1 ZINC000490779013 439297819 /nfs/dbraw/zinc/29/78/19/439297819.db2.gz QTUJEKBNAANZSI-UHFFFAOYSA-N 1 2 349.456 0.421 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)C[C@@](C)(CC(C)C)C2=O)CC1 ZINC000490779161 439298258 /nfs/dbraw/zinc/29/82/58/439298258.db2.gz RPNUCUBVAFLIGD-GOSISDBHSA-N 1 2 333.432 0.575 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCc3ccc(OC)cc3C2)CC1 ZINC000490780673 439299226 /nfs/dbraw/zinc/29/92/26/439299226.db2.gz OFRSDOFUDBMLGK-UHFFFAOYSA-N 1 2 327.428 0.831 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCc3ccc(OC)cc3C2)CC1 ZINC000490780673 439299231 /nfs/dbraw/zinc/29/92/31/439299231.db2.gz OFRSDOFUDBMLGK-UHFFFAOYSA-N 1 2 327.428 0.831 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000490800032 439300531 /nfs/dbraw/zinc/30/05/31/439300531.db2.gz MCQTVUOSAVCGCK-UHFFFAOYSA-N 1 2 333.344 0.760 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2nccn2CC)CC1 ZINC000490892604 439306874 /nfs/dbraw/zinc/30/68/74/439306874.db2.gz MVNBWYZGQAVVNO-VOTSOKGWSA-N 1 2 343.431 0.200 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2nccn2CC)CC1 ZINC000490892604 439306880 /nfs/dbraw/zinc/30/68/80/439306880.db2.gz MVNBWYZGQAVVNO-VOTSOKGWSA-N 1 2 343.431 0.200 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCO[C@H](Cc3ccccc3)C2)CC1 ZINC000490914215 439310376 /nfs/dbraw/zinc/31/03/76/439310376.db2.gz GTLWWWANYUKPRW-LJQANCHMSA-N 1 2 341.455 0.707 20 30 ECEDLO CNC(=O)NC[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2OC)CCO1 ZINC000528623607 439351852 /nfs/dbraw/zinc/35/18/52/439351852.db2.gz INUMDPPUZYKDFD-CQSZACIVSA-N 1 2 348.403 0.575 20 30 ECEDLO CNC(=O)NC[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2OC)CCO1 ZINC000528623607 439351858 /nfs/dbraw/zinc/35/18/58/439351858.db2.gz INUMDPPUZYKDFD-CQSZACIVSA-N 1 2 348.403 0.575 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)[C@@H]1OCC(=O)N(CC)[C@H]1c1[nH+]ccn1C ZINC000599082220 439352762 /nfs/dbraw/zinc/35/27/62/439352762.db2.gz CDFIGSRMADLVPH-NWANDNLSSA-N 1 2 347.419 0.717 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000491255062 439358677 /nfs/dbraw/zinc/35/86/77/439358677.db2.gz VLFGARYXMXGLEN-OAHLLOKOSA-N 1 2 326.462 0.757 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1nccc(C#N)c1[N+](=O)[O-] ZINC000599131821 439368289 /nfs/dbraw/zinc/36/82/89/439368289.db2.gz UXHRJUZKYUJRIC-INIZCTEOSA-N 1 2 347.375 0.889 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1nccc(C#N)c1[N+](=O)[O-] ZINC000599131821 439368294 /nfs/dbraw/zinc/36/82/94/439368294.db2.gz UXHRJUZKYUJRIC-INIZCTEOSA-N 1 2 347.375 0.889 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3nnn(C)c3C)n2C(C)C)CC1 ZINC000491374276 439374792 /nfs/dbraw/zinc/37/47/92/439374792.db2.gz QMWWVSLOLQSPHV-UHFFFAOYSA-N 1 2 328.424 0.718 20 30 ECEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000599195197 439379211 /nfs/dbraw/zinc/37/92/11/439379211.db2.gz TYGBKLYKSDRITN-HNNXBMFYSA-N 1 2 343.431 0.979 20 30 ECEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000599195197 439379214 /nfs/dbraw/zinc/37/92/14/439379214.db2.gz TYGBKLYKSDRITN-HNNXBMFYSA-N 1 2 343.431 0.979 20 30 ECEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000599195088 439379228 /nfs/dbraw/zinc/37/92/28/439379228.db2.gz PXUXBKCPOAFXKJ-HNNXBMFYSA-N 1 2 344.419 0.115 20 30 ECEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000599195088 439379230 /nfs/dbraw/zinc/37/92/30/439379230.db2.gz PXUXBKCPOAFXKJ-HNNXBMFYSA-N 1 2 344.419 0.115 20 30 ECEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)N2CCC(C(N)=O)CC2)n1 ZINC000491503746 439396315 /nfs/dbraw/zinc/39/63/15/439396315.db2.gz FAINFXOIBYCMIN-CQSZACIVSA-N 1 2 345.447 0.451 20 30 ECEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)N2CCC(C(N)=O)CC2)n1 ZINC000491503746 439396319 /nfs/dbraw/zinc/39/63/19/439396319.db2.gz FAINFXOIBYCMIN-CQSZACIVSA-N 1 2 345.447 0.451 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCCCC(=O)C2)CC1 ZINC000491514764 439397244 /nfs/dbraw/zinc/39/72/44/439397244.db2.gz JYHQJYYDWCHPGN-MRXNPFEDSA-N 1 2 347.459 0.810 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCCCC(=O)C2)CC1 ZINC000491514764 439397248 /nfs/dbraw/zinc/39/72/48/439397248.db2.gz JYHQJYYDWCHPGN-MRXNPFEDSA-N 1 2 347.459 0.810 20 30 ECEDLO C[C@@H](O)CNc1cc(N(C)CCCc2[nH]nc(N)c2C#N)nc[nH+]1 ZINC000570180842 439401488 /nfs/dbraw/zinc/40/14/88/439401488.db2.gz YNTBHXFLVLJWNG-SNVBAGLBSA-N 1 2 330.396 0.515 20 30 ECEDLO C[C@@H](O)CNc1cc(N(C)CCCc2[nH]nc(N)c2C#N)[nH+]cn1 ZINC000570180842 439401495 /nfs/dbraw/zinc/40/14/95/439401495.db2.gz YNTBHXFLVLJWNG-SNVBAGLBSA-N 1 2 330.396 0.515 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN([C@@H](C(=O)OC)c2ccccc2)CC1 ZINC000491542846 439403522 /nfs/dbraw/zinc/40/35/22/439403522.db2.gz COMMNSFRBMZGDP-QGZVFWFLSA-N 1 2 329.400 0.268 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000582967533 439404871 /nfs/dbraw/zinc/40/48/71/439404871.db2.gz GLZZVUNOJPJIPF-SFHVURJKSA-N 1 2 342.399 0.909 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2c(F)ccnc2F)CC1 ZINC000491452893 439386194 /nfs/dbraw/zinc/38/61/94/439386194.db2.gz OBRRJMIPKNXDSM-UHFFFAOYSA-N 1 2 336.342 0.257 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c(F)ccnc2F)CC1 ZINC000491452893 439386201 /nfs/dbraw/zinc/38/62/01/439386201.db2.gz OBRRJMIPKNXDSM-UHFFFAOYSA-N 1 2 336.342 0.257 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C#Cc2cccs2)CC1 ZINC000491621149 439412464 /nfs/dbraw/zinc/41/24/64/439412464.db2.gz FMUZKZQHCHBJQD-UHFFFAOYSA-N 1 2 329.425 0.383 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C#Cc2cccs2)CC1 ZINC000491621149 439412468 /nfs/dbraw/zinc/41/24/68/439412468.db2.gz FMUZKZQHCHBJQD-UHFFFAOYSA-N 1 2 329.425 0.383 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCO[C@H]2C(C)C)CC1 ZINC000491639664 439417395 /nfs/dbraw/zinc/41/73/95/439417395.db2.gz XAXXSXVIZAEDST-WMZOPIPTSA-N 1 2 349.475 0.721 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCO[C@H]2C(C)C)CC1 ZINC000491639664 439417401 /nfs/dbraw/zinc/41/74/01/439417401.db2.gz XAXXSXVIZAEDST-WMZOPIPTSA-N 1 2 349.475 0.721 20 30 ECEDLO C#C[C@@H]1COCCN1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000491678855 439426862 /nfs/dbraw/zinc/42/68/62/439426862.db2.gz VLVAVFCXDWXRRY-OAHLLOKOSA-N 1 2 333.457 0.726 20 30 ECEDLO COC(=O)C[C@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)CCO1 ZINC000599306048 439427219 /nfs/dbraw/zinc/42/72/19/439427219.db2.gz CZWRWSSPRBEFJO-KBPBESRZSA-N 1 2 326.393 0.322 20 30 ECEDLO COC(=O)C[C@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)CCO1 ZINC000599306048 439427222 /nfs/dbraw/zinc/42/72/22/439427222.db2.gz CZWRWSSPRBEFJO-KBPBESRZSA-N 1 2 326.393 0.322 20 30 ECEDLO C#C[C@@H](CC)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000491712907 439431904 /nfs/dbraw/zinc/43/19/04/439431904.db2.gz YEPHFQAXYGGASL-HNNXBMFYSA-N 1 2 343.431 0.831 20 30 ECEDLO C#CCNC(=O)C1CCN(C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000491769150 439445523 /nfs/dbraw/zinc/44/55/23/439445523.db2.gz MFENKFFAPRHABG-UHFFFAOYSA-N 1 2 331.420 0.834 20 30 ECEDLO C#CCN(CC#CC)C(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000491776541 439447910 /nfs/dbraw/zinc/44/79/10/439447910.db2.gz FYZRJIIDBVCNGS-UHFFFAOYSA-N 1 2 347.459 0.924 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)nn1 ZINC000529750981 439451622 /nfs/dbraw/zinc/45/16/22/439451622.db2.gz IIAOSIXTBVSHBT-QGZVFWFLSA-N 1 2 349.435 0.200 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)nn1 ZINC000529750981 439451626 /nfs/dbraw/zinc/45/16/26/439451626.db2.gz IIAOSIXTBVSHBT-QGZVFWFLSA-N 1 2 349.435 0.200 20 30 ECEDLO N#Cc1cccc(/C=C\C(=O)NCC(=O)NCC[NH+]2CCOCC2)c1 ZINC000491798405 439454267 /nfs/dbraw/zinc/45/42/67/439454267.db2.gz RUESRGYZCNMVMT-PLNGDYQASA-N 1 2 342.399 0.136 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(CC#C)CCOCC2)CC1 ZINC000491568917 439407906 /nfs/dbraw/zinc/40/79/06/439407906.db2.gz TVAPKRURDWHPQZ-UHFFFAOYSA-N 1 2 345.443 0.090 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2(CC#C)CCOCC2)CC1 ZINC000491568917 439407911 /nfs/dbraw/zinc/40/79/11/439407911.db2.gz TVAPKRURDWHPQZ-UHFFFAOYSA-N 1 2 345.443 0.090 20 30 ECEDLO CCOC(=O)C[C@H](O)C[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000599429078 439465647 /nfs/dbraw/zinc/46/56/47/439465647.db2.gz DRXNNIRGKQDSHD-LBPRGKRZSA-N 1 2 338.433 0.759 20 30 ECEDLO CC[C@](COC)([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C(=O)OC ZINC000599437929 439467620 /nfs/dbraw/zinc/46/76/20/439467620.db2.gz UDHYSVLLTXNAOH-XJKSGUPXSA-N 1 2 328.409 0.616 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000583600078 439483548 /nfs/dbraw/zinc/48/35/48/439483548.db2.gz HJTUJPYAXGAOFM-RHSMWYFYSA-N 1 2 335.452 0.874 20 30 ECEDLO COCCOCC[NH+]1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000593886644 439488200 /nfs/dbraw/zinc/48/82/00/439488200.db2.gz MAPDVDWLFAQQPR-UHFFFAOYSA-N 1 2 331.416 0.908 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)/C=C\c2ccc(C#N)cc2)CC1 ZINC000492064081 439491033 /nfs/dbraw/zinc/49/10/33/439491033.db2.gz BIIRMZVRQAUFSA-FPLPWBNLSA-N 1 2 326.400 0.980 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CCC([NH+]3CCOCC3)CC2)o1 ZINC000599499148 439493898 /nfs/dbraw/zinc/49/38/98/439493898.db2.gz FTEWGDJBYRSBRC-UHFFFAOYSA-N 1 2 325.390 0.637 20 30 ECEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2C[C@H](O)[C@@H](O)C2)c1 ZINC000599532104 439500443 /nfs/dbraw/zinc/50/04/43/439500443.db2.gz ZOCRUGWTXCTAMB-PVAVHDDUSA-N 1 2 331.416 0.976 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(Oc2ncc(C)cn2)CC1 ZINC000594020507 439505711 /nfs/dbraw/zinc/50/57/11/439505711.db2.gz ZKHCXNLHFNSHSB-UHFFFAOYSA-N 1 2 333.392 0.640 20 30 ECEDLO C#CCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@H]1CCS(=O)(=O)C1 ZINC000491807568 439456375 /nfs/dbraw/zinc/45/63/75/439456375.db2.gz SVUOWMTYLHJMHY-AWEZNQCLSA-N 1 2 344.396 0.530 20 30 ECEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@H](C)C#N ZINC000538109141 439543537 /nfs/dbraw/zinc/54/35/37/439543537.db2.gz DHAJQWRPKWWZBM-LLVKDONJSA-N 1 2 331.376 0.441 20 30 ECEDLO CC[C@@H](C(=O)N1CCN(C(=O)CC#N)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000572176488 439562769 /nfs/dbraw/zinc/56/27/69/439562769.db2.gz BQNCHXHIBNPWPJ-GJZGRUSLSA-N 1 2 336.436 0.460 20 30 ECEDLO CC[C@@H](C(=O)N1CCN(C(=O)CC#N)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000572176488 439562776 /nfs/dbraw/zinc/56/27/76/439562776.db2.gz BQNCHXHIBNPWPJ-GJZGRUSLSA-N 1 2 336.436 0.460 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)Cc2nn3c(nc(C)cc3=O)s2)C1=O ZINC000531706265 439511605 /nfs/dbraw/zinc/51/16/05/439511605.db2.gz PYTDKCXXIXGNIG-NSHDSACASA-N 1 2 333.417 0.678 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2nn3c(nc(C)cc3=O)s2)C1=O ZINC000531706265 439511610 /nfs/dbraw/zinc/51/16/10/439511610.db2.gz PYTDKCXXIXGNIG-NSHDSACASA-N 1 2 333.417 0.678 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471339 439566787 /nfs/dbraw/zinc/56/67/87/439566787.db2.gz CTOQOKQYNMMNSP-XDQVBPFNSA-N 1 2 332.470 0.552 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471339 439566792 /nfs/dbraw/zinc/56/67/92/439566792.db2.gz CTOQOKQYNMMNSP-XDQVBPFNSA-N 1 2 332.470 0.552 20 30 ECEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000546604572 439570937 /nfs/dbraw/zinc/57/09/37/439570937.db2.gz ZAQGZKJLOWQEMJ-ZDUSSCGKSA-N 1 2 326.360 0.717 20 30 ECEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000546604572 439570941 /nfs/dbraw/zinc/57/09/41/439570941.db2.gz ZAQGZKJLOWQEMJ-ZDUSSCGKSA-N 1 2 326.360 0.717 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000572579903 439593144 /nfs/dbraw/zinc/59/31/44/439593144.db2.gz USUQHIJIKGSVCX-CYBMUJFWSA-N 1 2 342.403 0.476 20 30 ECEDLO CCN1C(=O)[C@H]2C[N@@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CCN2C1=O ZINC000610616017 439630489 /nfs/dbraw/zinc/63/04/89/439630489.db2.gz BICDKBFUAGMORG-ZIAGYGMSSA-N 1 2 341.371 0.053 20 30 ECEDLO CCN1C(=O)[C@H]2C[N@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CCN2C1=O ZINC000610616017 439630493 /nfs/dbraw/zinc/63/04/93/439630493.db2.gz BICDKBFUAGMORG-ZIAGYGMSSA-N 1 2 341.371 0.053 20 30 ECEDLO CCc1noc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)n1 ZINC000594902288 439642463 /nfs/dbraw/zinc/64/24/63/439642463.db2.gz WBVODCPOIFWPGO-UHFFFAOYSA-N 1 2 329.360 0.546 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccccc2CC#N)[C@H](C)C1 ZINC000585708407 439645060 /nfs/dbraw/zinc/64/50/60/439645060.db2.gz SGUSCCGKFMLMAC-ZIAGYGMSSA-N 1 2 337.445 0.828 20 30 ECEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccccc2CC#N)[C@H](C)C1 ZINC000585708407 439645063 /nfs/dbraw/zinc/64/50/63/439645063.db2.gz SGUSCCGKFMLMAC-ZIAGYGMSSA-N 1 2 337.445 0.828 20 30 ECEDLO C=CCCSCCNC(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000595127624 439659211 /nfs/dbraw/zinc/65/92/11/439659211.db2.gz SFBXMOKOABPPLJ-UHFFFAOYSA-N 1 2 329.466 0.203 20 30 ECEDLO N#CCc1cccc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000595149257 439662076 /nfs/dbraw/zinc/66/20/76/439662076.db2.gz CVDNONMPJCEHFF-MRXNPFEDSA-N 1 2 342.399 0.624 20 30 ECEDLO C[C@@]1(C#N)CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000595156765 439663084 /nfs/dbraw/zinc/66/30/84/439663084.db2.gz XFEXWGUZXJSBOD-YJBOKZPZSA-N 1 2 348.447 0.462 20 30 ECEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](CC(=O)N2CCNC2=O)CC1 ZINC000611550883 439705970 /nfs/dbraw/zinc/70/59/70/439705970.db2.gz KZTUKIGVXLBKEN-HNNXBMFYSA-N 1 2 345.378 0.560 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC[C@H]1CCS(=O)(=O)C1 ZINC000611171422 439677858 /nfs/dbraw/zinc/67/78/58/439677858.db2.gz OWCPUFZOKNLHJT-KGLIPLIRSA-N 1 2 349.460 0.684 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CC[C@H]1CCS(=O)(=O)C1 ZINC000611171422 439677860 /nfs/dbraw/zinc/67/78/60/439677860.db2.gz OWCPUFZOKNLHJT-KGLIPLIRSA-N 1 2 349.460 0.684 20 30 ECEDLO CCn1nc2c(cc1=O)C[N@H+]([C@H](C)C(=O)NC1(C#N)CCC1)CC2 ZINC000615787710 439806639 /nfs/dbraw/zinc/80/66/39/439806639.db2.gz VENIFFQEJZWKDF-GFCCVEGCSA-N 1 2 329.404 0.572 20 30 ECEDLO CCn1nc2c(cc1=O)C[N@@H+]([C@H](C)C(=O)NC1(C#N)CCC1)CC2 ZINC000615787710 439806640 /nfs/dbraw/zinc/80/66/40/439806640.db2.gz VENIFFQEJZWKDF-GFCCVEGCSA-N 1 2 329.404 0.572 20 30 ECEDLO C=C[C@H](CO)NC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000663449108 440075408 /nfs/dbraw/zinc/07/54/08/440075408.db2.gz AVMDBOIBQTYOGX-ZIAGYGMSSA-N 1 2 338.477 0.883 20 30 ECEDLO C=CCCC(C)(C)CNC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000632487029 440245917 /nfs/dbraw/zinc/24/59/17/440245917.db2.gz WRBAQLWUBRFNFN-UHFFFAOYSA-N 1 2 325.453 0.886 20 30 ECEDLO C=CC[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000628486697 440470005 /nfs/dbraw/zinc/47/00/05/440470005.db2.gz NZYLQIQEAQWJSW-HZPDHXFCSA-N 1 2 335.448 0.592 20 30 ECEDLO C=CCn1cc(CNC(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)nn1 ZINC000665183315 440431459 /nfs/dbraw/zinc/43/14/59/440431459.db2.gz XLWWSBGXIBUHIK-ZDUSSCGKSA-N 1 2 347.423 0.757 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+]([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)CC1 ZINC000659811157 440503644 /nfs/dbraw/zinc/50/36/44/440503644.db2.gz QQYBMTLJENWALH-BZUAXINKSA-N 1 2 334.464 0.354 20 30 ECEDLO CC#CC[C@@H](CO)NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000645158539 440755000 /nfs/dbraw/zinc/75/50/00/440755000.db2.gz ZVXBHHUPVBAJAU-HNNXBMFYSA-N 1 2 332.404 0.492 20 30 ECEDLO Cc1noc(CCCn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)n1 ZINC000579860518 322909075 /nfs/dbraw/zinc/90/90/75/322909075.db2.gz KLVHLQVUXMVZGH-UHFFFAOYSA-N 1 2 343.387 0.876 20 30 ECEDLO N#Cc1ccc(F)c(CS(=O)(=O)N2CC[NH+](CCO)CC2)c1 ZINC000160216096 534787007 /nfs/dbraw/zinc/78/70/07/534787007.db2.gz FIBDEGMXQUJZOB-UHFFFAOYSA-N 1 2 327.381 0.137 20 30 ECEDLO CC(C)NC(=O)C(=O)N1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000177992166 529116447 /nfs/dbraw/zinc/11/64/47/529116447.db2.gz PJENOAPENNQVRQ-INIZCTEOSA-N 1 2 344.415 0.260 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3COCCO3)CC2)cc1 ZINC000057078757 545673853 /nfs/dbraw/zinc/67/38/53/545673853.db2.gz IVJMXDUGEFMNLS-KRWDZBQOSA-N 1 2 344.415 0.801 20 30 ECEDLO O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000329113869 546014244 /nfs/dbraw/zinc/01/42/44/546014244.db2.gz LNKGBLKIAPKDIM-HLLBOEOZSA-N 1 2 339.436 0.645 20 30 ECEDLO C[C@@H](NC(=O)C[N@@H+]1CCCN(C(N)=O)CC1)C(=O)N1CCCCC1 ZINC000329422590 546024306 /nfs/dbraw/zinc/02/43/06/546024306.db2.gz FUBLZBPCFKIMHV-CYBMUJFWSA-N 1 2 339.440 0.844 20 30 ECEDLO C[C@@H](NC(=O)C[N@H+]1CCCN(C(N)=O)CC1)C(=O)N1CCCCC1 ZINC000329422590 546024313 /nfs/dbraw/zinc/02/43/13/546024313.db2.gz FUBLZBPCFKIMHV-CYBMUJFWSA-N 1 2 339.440 0.844 20 30 ECEDLO COCC[N@@H+]1CC[C@H](NC(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)C1 ZINC000329594294 546028648 /nfs/dbraw/zinc/02/86/48/546028648.db2.gz OPZBRRFOZPWTBZ-XQQFMLRXSA-N 1 2 333.454 0.129 20 30 ECEDLO COCC[N@H+]1CC[C@H](NC(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)C1 ZINC000329594294 546028654 /nfs/dbraw/zinc/02/86/54/546028654.db2.gz OPZBRRFOZPWTBZ-XQQFMLRXSA-N 1 2 333.454 0.129 20 30 ECEDLO Cn1cc(C[NH+]2CCN(C(=O)N[C@@H]3CCC(=O)N(C)C3)CC2)cn1 ZINC000329832602 546034975 /nfs/dbraw/zinc/03/49/75/546034975.db2.gz KLUKHBVMNSZQSV-CQSZACIVSA-N 1 2 334.424 0.073 20 30 ECEDLO N#C[C@H]1CN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CCO1 ZINC000619677134 546357275 /nfs/dbraw/zinc/35/72/75/546357275.db2.gz PQPDDVKVKVOCAO-AWEZNQCLSA-N 1 2 332.385 0.844 20 30 ECEDLO Cc1cccn2cc(CCNS(=O)(=O)N3CCO[C@H](C#N)C3)[nH+]c12 ZINC000619711316 546360714 /nfs/dbraw/zinc/36/07/14/546360714.db2.gz FABQNJIEBWGFRF-CQSZACIVSA-N 1 2 349.416 0.244 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc([C@H]3CC[C@@H](C)O3)n2C)CC1 ZINC000624794212 546974542 /nfs/dbraw/zinc/97/45/42/546974542.db2.gz XBVIJFQZZJUNOR-ZIAGYGMSSA-N 1 2 348.451 0.479 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000748809777 579329039 /nfs/dbraw/zinc/32/90/39/579329039.db2.gz AKQZUGBKDLYZAU-UHFFFAOYSA-N 1 2 333.395 0.978 20 30 ECEDLO C[C@@]1(O)CC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000748832007 579329765 /nfs/dbraw/zinc/32/97/65/579329765.db2.gz CRZMZUOYHRHUKR-YVEFUNNKSA-N 1 2 326.356 0.968 20 30 ECEDLO C[C@@]1(O)CC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000748832007 579329766 /nfs/dbraw/zinc/32/97/66/579329766.db2.gz CRZMZUOYHRHUKR-YVEFUNNKSA-N 1 2 326.356 0.968 20 30 ECEDLO Cc1ccc(NC(=O)C(=O)NC2CCN(CC#N)CC2)c(N(C)C)[nH+]1 ZINC000750234710 579349338 /nfs/dbraw/zinc/34/93/38/579349338.db2.gz VMNNBEWJAFYNKN-UHFFFAOYSA-N 1 2 344.419 0.499 20 30 ECEDLO C[C@H](C(=O)NCCNC(=O)C1N=CC=CC1=O)[NH+]1CCSCC1 ZINC000750811867 579358957 /nfs/dbraw/zinc/35/89/57/579358957.db2.gz RMYACEGIGWZJGK-QORHXFOUSA-N 1 2 338.433 0.066 20 30 ECEDLO C#C[C@@H](CC)NC(=O)N1CC[NH+]([C@@H](C)C(=O)NCCCOC)CC1 ZINC000753245157 579397595 /nfs/dbraw/zinc/39/75/95/579397595.db2.gz CZUBEBNMYDXMBP-GJZGRUSLSA-N 1 2 338.452 0.267 20 30 ECEDLO O=S1(=O)CC[C@@H](N[NH+]=Cc2cnc(N3CCOCC3)s2)C1 ZINC000755456666 579433688 /nfs/dbraw/zinc/43/36/88/579433688.db2.gz WJQFWZHVAFJWGC-SNVBAGLBSA-N 1 2 330.435 0.090 20 30 ECEDLO Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(C)[nH+]1 ZINC000756179365 579446047 /nfs/dbraw/zinc/44/60/47/579446047.db2.gz CXVBDXSDPOZTNA-CQSZACIVSA-N 1 2 327.388 0.836 20 30 ECEDLO C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CC(O)C1 ZINC000759874011 579499815 /nfs/dbraw/zinc/49/98/15/579499815.db2.gz TYRJBNVGJNHTHG-XIVSLSHWSA-N 1 2 326.356 0.967 20 30 ECEDLO C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CC(O)C1 ZINC000759874011 579499817 /nfs/dbraw/zinc/49/98/17/579499817.db2.gz TYRJBNVGJNHTHG-XIVSLSHWSA-N 1 2 326.356 0.967 20 30 ECEDLO N#CCCNC(=O)COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000731248245 578311947 /nfs/dbraw/zinc/31/19/47/578311947.db2.gz MIXNPFJLVCEOEH-QGZVFWFLSA-N 1 2 345.399 0.757 20 30 ECEDLO C#CCCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000733673495 578343752 /nfs/dbraw/zinc/34/37/52/578343752.db2.gz ZQUKEWLICUOHOV-UHFFFAOYSA-N 1 2 342.399 0.152 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)NCC(=O)OCCn2cc[nH+]c2)c1 ZINC000795323498 578608147 /nfs/dbraw/zinc/60/81/47/578608147.db2.gz HIPCAGWWQZRAEB-UHFFFAOYSA-N 1 2 334.357 0.276 20 30 ECEDLO Cc1nc2c(nccc2C(=O)N(CCC#N)CC[NH+]2CCOCC2)[nH]1 ZINC000797847377 578635801 /nfs/dbraw/zinc/63/58/01/578635801.db2.gz KMLLPLHFVOYSMD-UHFFFAOYSA-N 1 2 342.403 0.954 20 30 ECEDLO N#Cc1ccc([C@@H](O)C(=O)N2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000780949889 578703653 /nfs/dbraw/zinc/70/36/53/578703653.db2.gz OGXVLQJSSNPBNY-MRXNPFEDSA-N 1 2 340.387 0.028 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000782053765 578719495 /nfs/dbraw/zinc/71/94/95/578719495.db2.gz QXCLKOXCBSFXIO-AWEZNQCLSA-N 1 2 327.450 0.062 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000782053765 578719497 /nfs/dbraw/zinc/71/94/97/578719497.db2.gz QXCLKOXCBSFXIO-AWEZNQCLSA-N 1 2 327.450 0.062 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000785765229 578774494 /nfs/dbraw/zinc/77/44/94/578774494.db2.gz GCBAWLCRRXUADH-UHFFFAOYSA-N 1 2 336.461 0.338 20 30 ECEDLO CC(C)(C#N)CS(=O)(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000786957648 578798237 /nfs/dbraw/zinc/79/82/37/578798237.db2.gz HGZLASTUFZNYFY-UHFFFAOYSA-N 1 2 338.433 0.887 20 30 ECEDLO C=CC[C@@H](NC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1)c1ccncc1 ZINC000787757053 578815675 /nfs/dbraw/zinc/81/56/75/578815675.db2.gz LSTOHQQPGKMKHM-GDBMZVCRSA-N 1 2 346.431 0.652 20 30 ECEDLO C#CCn1ccc(C[N@H+](CCOC)CC[C@@H]2CCS(=O)(=O)C2)n1 ZINC000789323227 578851732 /nfs/dbraw/zinc/85/17/32/578851732.db2.gz XRDJTQIAKUGDCV-OAHLLOKOSA-N 1 2 339.461 0.790 20 30 ECEDLO C#CCn1ccc(C[N@@H+](CCOC)CC[C@@H]2CCS(=O)(=O)C2)n1 ZINC000789323227 578851733 /nfs/dbraw/zinc/85/17/33/578851733.db2.gz XRDJTQIAKUGDCV-OAHLLOKOSA-N 1 2 339.461 0.790 20 30 ECEDLO C[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1nnnn1C1CC1 ZINC000792469870 578909169 /nfs/dbraw/zinc/90/91/69/578909169.db2.gz CYEVFYRFKPVNBH-NSHDSACASA-N 1 2 325.376 0.847 20 30 ECEDLO N#Cc1c(=O)n(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)cc2c1CCCC2 ZINC000793516410 578930609 /nfs/dbraw/zinc/93/06/09/578930609.db2.gz NQWMFXWZNUSUAE-GOSISDBHSA-N 1 2 326.400 0.768 20 30 ECEDLO N#Cc1c(=O)n(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)cc2c1CCCC2 ZINC000793516410 578930610 /nfs/dbraw/zinc/93/06/10/578930610.db2.gz NQWMFXWZNUSUAE-GOSISDBHSA-N 1 2 326.400 0.768 20 30 ECEDLO COc1cccc(OCC[NH+]2CCN(CC(=O)NCCC#N)CC2)c1 ZINC000766162973 579082416 /nfs/dbraw/zinc/08/24/16/579082416.db2.gz NSOXOALVLKTFET-UHFFFAOYSA-N 1 2 346.431 0.721 20 30 ECEDLO CC1(C)OCC(C)(C(=O)N(CCC#N)CC[NH+]2CCOCC2)CO1 ZINC000767184194 579102909 /nfs/dbraw/zinc/10/29/09/579102909.db2.gz JRYGOFOTRIOURH-UHFFFAOYSA-N 1 2 339.436 0.850 20 30 ECEDLO N#Cc1ccc(CS(=O)(=O)CC(=O)OCCn2cc[nH+]c2)cc1 ZINC000771923784 579198012 /nfs/dbraw/zinc/19/80/12/579198012.db2.gz ZRMLOHJJIXTYLT-UHFFFAOYSA-N 1 2 333.369 0.913 20 30 ECEDLO COC(=O)CCC[NH+]1CCC(=NNCC(C)(C)S(C)(=O)=O)CC1 ZINC000774493943 579248968 /nfs/dbraw/zinc/24/89/68/579248968.db2.gz AFQKUSACQRXZNK-UHFFFAOYSA-N 1 2 347.481 0.804 20 30 ECEDLO C#C[C@@H](NC(=O)C[NH+]1CCN(c2ccccn2)CC1)[C@@H]1CCCO1 ZINC000775350268 579265882 /nfs/dbraw/zinc/26/58/82/579265882.db2.gz OLWFTSBUNSSGRV-CVEARBPZSA-N 1 2 328.416 0.501 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(Cl)c2O)CC1 ZINC000775716273 579270405 /nfs/dbraw/zinc/27/04/05/579270405.db2.gz GMVIJYWXMGDTAD-UHFFFAOYSA-N 1 2 349.818 0.943 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2O)CC1 ZINC000775716273 579270406 /nfs/dbraw/zinc/27/04/06/579270406.db2.gz GMVIJYWXMGDTAD-UHFFFAOYSA-N 1 2 349.818 0.943 20 30 ECEDLO C#C[C@@H](NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1)[C@H]1CCCO1 ZINC000776232469 579278391 /nfs/dbraw/zinc/27/83/91/579278391.db2.gz RTBFZUZTXZCCRC-HZPDHXFCSA-N 1 2 331.420 0.428 20 30 ECEDLO N#Cc1cccn(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1=O ZINC000777564812 579299933 /nfs/dbraw/zinc/29/99/33/579299933.db2.gz PGTHWZZXVYCCKS-LLVKDONJSA-N 1 2 328.294 0.678 20 30 ECEDLO N#Cc1cccn(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1=O ZINC000777564812 579299935 /nfs/dbraw/zinc/29/99/35/579299935.db2.gz PGTHWZZXVYCCKS-LLVKDONJSA-N 1 2 328.294 0.678 20 30 ECEDLO CCNC(=O)C[NH+]1CCN([C@H](C(=O)OC)c2ccc(C#N)cc2)CC1 ZINC000739904920 579721407 /nfs/dbraw/zinc/72/14/07/579721407.db2.gz VCJMLJTUTOLHRQ-KRWDZBQOSA-N 1 2 344.415 0.526 20 30 ECEDLO COc1ccc(CNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)cc1C#N ZINC000746725978 579843798 /nfs/dbraw/zinc/84/37/98/579843798.db2.gz RPRQAHHDARWNGE-OAHLLOKOSA-N 1 2 331.420 0.612 20 30 ECEDLO COc1ccc(CNC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)cc1C#N ZINC000746725978 579843799 /nfs/dbraw/zinc/84/37/99/579843799.db2.gz RPRQAHHDARWNGE-OAHLLOKOSA-N 1 2 331.420 0.612 20 30 ECEDLO Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)=N1 ZINC000834480022 588901916 /nfs/dbraw/zinc/90/19/16/588901916.db2.gz KIRFPSZEUDGFPR-PWSUYJOCSA-N 1 2 329.335 0.867 20 30 ECEDLO N#Cc1ccc(NCCNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)nc1 ZINC000837567937 588955473 /nfs/dbraw/zinc/95/54/73/588955473.db2.gz PUQXTQDPGUSCCV-GASCZTMLSA-N 1 2 344.419 0.528 20 30 ECEDLO N#Cc1ccc(NCCNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nc1 ZINC000837567937 588955475 /nfs/dbraw/zinc/95/54/75/588955475.db2.gz PUQXTQDPGUSCCV-GASCZTMLSA-N 1 2 344.419 0.528 20 30 ECEDLO N#CC1(COC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CCC1 ZINC000837691027 588958674 /nfs/dbraw/zinc/95/86/74/588958674.db2.gz RCLFUASEAILVBX-HNNXBMFYSA-N 1 2 349.431 0.937 20 30 ECEDLO CC(C[C@H]1CCCC(=O)N1)=NNC(=S)NCC[NH+]1CCOCC1 ZINC000841606555 588996354 /nfs/dbraw/zinc/99/63/54/588996354.db2.gz HORGSWXHCWCUHW-CYBMUJFWSA-N 1 2 341.481 0.217 20 30 ECEDLO C#CC1(O)CN(C(=O)C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000890523817 586051908 /nfs/dbraw/zinc/05/19/08/586051908.db2.gz PJVUNFWWDRLAFD-UHFFFAOYSA-N 1 2 330.384 0.268 20 30 ECEDLO C#CC1(O)CN(C(=O)C[N@H+]2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000890523817 586051909 /nfs/dbraw/zinc/05/19/09/586051909.db2.gz PJVUNFWWDRLAFD-UHFFFAOYSA-N 1 2 330.384 0.268 20 30 ECEDLO C#CC1(O)CN(C(=O)c2ccc(NCC[NH+]3CCOCC3)c(F)c2)C1 ZINC000890527940 586052336 /nfs/dbraw/zinc/05/23/36/586052336.db2.gz ROYFLEYNEDDCSF-UHFFFAOYSA-N 1 2 347.390 0.390 20 30 ECEDLO C#CC1(F)CN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000891167326 586085222 /nfs/dbraw/zinc/08/52/22/586085222.db2.gz MRFACHUELMFBQH-UHFFFAOYSA-N 1 2 345.374 0.641 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N(C)C)nc2)C1 ZINC000891608848 586181553 /nfs/dbraw/zinc/18/15/53/586181553.db2.gz ZQNKGLUGOZDTSS-CQSZACIVSA-N 1 2 329.404 0.300 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N(C)C)nc2)C1 ZINC000891608848 586181554 /nfs/dbraw/zinc/18/15/54/586181554.db2.gz ZQNKGLUGOZDTSS-CQSZACIVSA-N 1 2 329.404 0.300 20 30 ECEDLO C#CC1(O)CN(C(=O)NC[C@H](c2cccc(C)c2)[NH+]2CCOCC2)C1 ZINC000891876141 586202196 /nfs/dbraw/zinc/20/21/96/586202196.db2.gz KNXBJYIPTQMITJ-QGZVFWFLSA-N 1 2 343.427 0.758 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnc2n1CCOC2 ZINC000892224336 586236935 /nfs/dbraw/zinc/23/69/35/586236935.db2.gz UDVABIFUKMNIAI-CYBMUJFWSA-N 1 2 339.403 0.786 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnc2n1CCOC2 ZINC000892224336 586236936 /nfs/dbraw/zinc/23/69/36/586236936.db2.gz UDVABIFUKMNIAI-CYBMUJFWSA-N 1 2 339.403 0.786 20 30 ECEDLO COC(=O)[C@]1(C)C[C@@H](OC(=O)c2cnn(CCC#N)c2C)C[N@@H+]1C ZINC000893577130 586341675 /nfs/dbraw/zinc/34/16/75/586341675.db2.gz ASPBZBADSNLVRQ-WBMJQRKESA-N 1 2 334.376 0.898 20 30 ECEDLO COC(=O)[C@]1(C)C[C@@H](OC(=O)c2cnn(CCC#N)c2C)C[N@H+]1C ZINC000893577130 586341678 /nfs/dbraw/zinc/34/16/78/586341678.db2.gz ASPBZBADSNLVRQ-WBMJQRKESA-N 1 2 334.376 0.898 20 30 ECEDLO C#CC[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000843250151 589056134 /nfs/dbraw/zinc/05/61/34/589056134.db2.gz FCSQAEYLTBUIRA-GJZGRUSLSA-N 1 2 328.416 0.998 20 30 ECEDLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@@]2(C#N)CCSC2)C1 ZINC000900463920 586633662 /nfs/dbraw/zinc/63/36/62/586633662.db2.gz IIYHONSNXJWFRJ-IUODEOHRSA-N 1 2 325.434 0.777 20 30 ECEDLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@]2(C#N)CCSC2)C1 ZINC000900463920 586633664 /nfs/dbraw/zinc/63/36/64/586633664.db2.gz IIYHONSNXJWFRJ-IUODEOHRSA-N 1 2 325.434 0.777 20 30 ECEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(C[C@@H]2C[C@@H]3COC[C@@H]3O2)c1=O ZINC000901558117 586711439 /nfs/dbraw/zinc/71/14/39/586711439.db2.gz UXYANDDOQDVFIV-IKGGRYGDSA-N 1 2 345.399 0.356 20 30 ECEDLO COc1nn(C)cc1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000905673949 586909257 /nfs/dbraw/zinc/90/92/57/586909257.db2.gz DTJRWRPVOCOVKD-UHFFFAOYSA-N 1 2 334.401 0.864 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCO[C@H]2C(=C)C)CC1 ZINC000906580498 586957171 /nfs/dbraw/zinc/95/71/71/586957171.db2.gz OQKUCHJXPFSFEC-RDJZCZTQSA-N 1 2 333.432 0.251 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCO[C@H]2C(=C)C)CC1 ZINC000906580498 586957173 /nfs/dbraw/zinc/95/71/73/586957173.db2.gz OQKUCHJXPFSFEC-RDJZCZTQSA-N 1 2 333.432 0.251 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(SC)n2)CC1 ZINC000843790680 589079819 /nfs/dbraw/zinc/07/98/19/589079819.db2.gz NDJIXJBMKDAOOB-UHFFFAOYSA-N 1 2 346.456 0.701 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(SC)n2)CC1 ZINC000843790680 589079821 /nfs/dbraw/zinc/07/98/21/589079821.db2.gz NDJIXJBMKDAOOB-UHFFFAOYSA-N 1 2 346.456 0.701 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(F)c(S(=O)(=O)NC)c1 ZINC000804174249 587080576 /nfs/dbraw/zinc/08/05/76/587080576.db2.gz PWPCCBQVDIWCMA-ZDUSSCGKSA-N 1 2 339.392 0.770 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(F)c(S(=O)(=O)NC)c1 ZINC000804174249 587080578 /nfs/dbraw/zinc/08/05/78/587080578.db2.gz PWPCCBQVDIWCMA-ZDUSSCGKSA-N 1 2 339.392 0.770 20 30 ECEDLO CCOC(=O)CC[C@]1(C)NC(=O)N(C[NH+]2CCC(C#N)CC2)C1=O ZINC000808150193 587145630 /nfs/dbraw/zinc/14/56/30/587145630.db2.gz SNSPULSSKXJPQI-INIZCTEOSA-N 1 2 336.392 0.833 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)[C@H]1CCCO1 ZINC000809307070 587173730 /nfs/dbraw/zinc/17/37/30/587173730.db2.gz YGDDCSHQQSOTAO-QLFBSQMISA-N 1 2 344.415 0.423 20 30 ECEDLO C#C[C@H](NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C)[C@H]1CCCO1 ZINC000811185366 587213926 /nfs/dbraw/zinc/21/39/26/587213926.db2.gz JXOSTGGRBMSYPN-ARFHVFGLSA-N 1 2 346.431 0.780 20 30 ECEDLO C#C[C@H](NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C)[C@H]1CCCO1 ZINC000811185366 587213928 /nfs/dbraw/zinc/21/39/28/587213928.db2.gz JXOSTGGRBMSYPN-ARFHVFGLSA-N 1 2 346.431 0.780 20 30 ECEDLO N#Cc1cccnc1NCCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000811952579 587229353 /nfs/dbraw/zinc/22/93/53/587229353.db2.gz LQAFQYMDUKRCLU-LBPRGKRZSA-N 1 2 325.376 0.945 20 30 ECEDLO N#Cc1cccnc1NCCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000811952579 587229355 /nfs/dbraw/zinc/22/93/55/587229355.db2.gz LQAFQYMDUKRCLU-LBPRGKRZSA-N 1 2 325.376 0.945 20 30 ECEDLO N#Cc1cccnc1NCCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000811952578 587229376 /nfs/dbraw/zinc/22/93/76/587229376.db2.gz LQAFQYMDUKRCLU-GFCCVEGCSA-N 1 2 325.376 0.945 20 30 ECEDLO N#Cc1cccnc1NCCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000811952578 587229377 /nfs/dbraw/zinc/22/93/77/587229377.db2.gz LQAFQYMDUKRCLU-GFCCVEGCSA-N 1 2 325.376 0.945 20 30 ECEDLO C#C[C@H](C)NC(=O)N1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000812036372 587230488 /nfs/dbraw/zinc/23/04/88/587230488.db2.gz DORSYSUFNIWLGK-XHDPSFHLSA-N 1 2 325.372 0.847 20 30 ECEDLO COCc1cnc(C=NNC(=S)NCC[NH+]2CCOCC2)s1 ZINC000814717119 587278917 /nfs/dbraw/zinc/27/89/17/587278917.db2.gz PENOLRCPFINGBP-UHFFFAOYSA-N 1 2 343.478 0.420 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)cnc3c2)CC1 ZINC000820787633 587556055 /nfs/dbraw/zinc/55/60/55/587556055.db2.gz DEKUZMKLVLRDAR-UHFFFAOYSA-N 1 2 346.412 0.253 20 30 ECEDLO Cn1ncc(CCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000822218602 587648943 /nfs/dbraw/zinc/64/89/43/587648943.db2.gz UQEYTPYWOQTVIA-UHFFFAOYSA-N 1 2 338.415 0.964 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H]2[C@H](C)NC(=O)[O-])CC1 ZINC000823457389 587722069 /nfs/dbraw/zinc/72/20/69/587722069.db2.gz YTGNCCGAFAFPCF-GJZGRUSLSA-N 1 2 336.436 0.274 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@H]2[C@H](C)NC(=O)[O-])CC1 ZINC000823457389 587722070 /nfs/dbraw/zinc/72/20/70/587722070.db2.gz YTGNCCGAFAFPCF-GJZGRUSLSA-N 1 2 336.436 0.274 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)CC1 ZINC000823849919 587745959 /nfs/dbraw/zinc/74/59/59/587745959.db2.gz COWWRZLFWMIXDH-UHFFFAOYSA-N 1 2 330.779 0.911 20 30 ECEDLO COCC(COC)[NH+]1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000840486741 587869528 /nfs/dbraw/zinc/86/95/28/587869528.db2.gz JHGKYRDISAOSQB-KRWDZBQOSA-N 1 2 347.415 0.397 20 30 ECEDLO Cc1cc(C)n(N=Cc2c[nH+]ccc2N(C)C)c(=O)c1-c1nn[nH]n1 ZINC000826265544 588018169 /nfs/dbraw/zinc/01/81/69/588018169.db2.gz DEURMWGIAQTEGG-UHFFFAOYSA-N 1 2 338.375 0.988 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2cc(OC)c(OC)cc2F)CC1 ZINC000844771238 589120546 /nfs/dbraw/zinc/12/05/46/589120546.db2.gz YSNZJPMIDUREKV-UHFFFAOYSA-N 1 2 336.363 0.999 20 30 ECEDLO C#Cc1cccc(NC(=O)C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)c1 ZINC000850595712 589370682 /nfs/dbraw/zinc/37/06/82/589370682.db2.gz ZZSRRGSGZNMPGE-ZIAGYGMSSA-N 1 2 329.400 0.832 20 30 ECEDLO C#Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)c1 ZINC000850595712 589370683 /nfs/dbraw/zinc/37/06/83/589370683.db2.gz ZZSRRGSGZNMPGE-ZIAGYGMSSA-N 1 2 329.400 0.832 20 30 ECEDLO C=CCOCCCNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000850648822 589376098 /nfs/dbraw/zinc/37/60/98/589376098.db2.gz FZYLPZYFFLWNJS-UHFFFAOYSA-N 1 2 329.360 0.915 20 30 ECEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)C1 ZINC000850662306 589377072 /nfs/dbraw/zinc/37/70/72/589377072.db2.gz FCQNDNLVEGWEBI-SUMWQHHRSA-N 1 2 329.404 0.888 20 30 ECEDLO C#CCCCS(=O)(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000851825065 589427064 /nfs/dbraw/zinc/42/70/64/589427064.db2.gz RYDRTFPOYPJGTE-HUUCEWRRSA-N 1 2 326.462 0.963 20 30 ECEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000852426240 589495494 /nfs/dbraw/zinc/49/54/94/589495494.db2.gz IKHYNRUQZLHXNS-ZDUSSCGKSA-N 1 2 330.450 0.545 20 30 ECEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000852426240 589495496 /nfs/dbraw/zinc/49/54/96/589495496.db2.gz IKHYNRUQZLHXNS-ZDUSSCGKSA-N 1 2 330.450 0.545 20 30 ECEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000852429034 589495511 /nfs/dbraw/zinc/49/55/11/589495511.db2.gz AEGWNFITGHGYCU-AWEZNQCLSA-N 1 2 344.477 0.935 20 30 ECEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000852429034 589495512 /nfs/dbraw/zinc/49/55/12/589495512.db2.gz AEGWNFITGHGYCU-AWEZNQCLSA-N 1 2 344.477 0.935 20 30 ECEDLO O=[S@@]1CCCC(=NNC(=S)NCC[NH+]2CCOCC2)CC1 ZINC000853263512 589539182 /nfs/dbraw/zinc/53/91/82/589539182.db2.gz OIHSIMFINYAMNE-OAQYLSRUSA-N 1 2 332.495 0.071 20 30 ECEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCCNc1ccc(C#N)cn1 ZINC000853384324 589542151 /nfs/dbraw/zinc/54/21/51/589542151.db2.gz OFQMEXLJGWWONT-KGLIPLIRSA-N 1 2 346.435 0.774 20 30 ECEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCCNc1ccc(C#N)cn1 ZINC000853384324 589542152 /nfs/dbraw/zinc/54/21/52/589542152.db2.gz OFQMEXLJGWWONT-KGLIPLIRSA-N 1 2 346.435 0.774 20 30 ECEDLO COC[C@H](CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1)OC ZINC000853657492 589554010 /nfs/dbraw/zinc/55/40/10/589554010.db2.gz FKQBQZYGCJHUGB-MRXNPFEDSA-N 1 2 337.420 0.817 20 30 ECEDLO C#CCN(CC(=O)NOC1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000854358271 589581590 /nfs/dbraw/zinc/58/15/90/589581590.db2.gz SZDYPUYDOHUUGQ-UHFFFAOYSA-N 1 2 325.409 0.999 20 30 ECEDLO N#CCc1ccsc1C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000866015053 589715320 /nfs/dbraw/zinc/71/53/20/589715320.db2.gz JRJCRIZRZQGQSH-UHFFFAOYSA-N 1 2 330.417 0.864 20 30 ECEDLO C#CCSCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000858242151 589734500 /nfs/dbraw/zinc/73/45/00/589734500.db2.gz FHSVBSFNBJUOSG-MRXNPFEDSA-N 1 2 348.472 0.948 20 30 ECEDLO C#CCSCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000858242151 589734502 /nfs/dbraw/zinc/73/45/02/589734502.db2.gz FHSVBSFNBJUOSG-MRXNPFEDSA-N 1 2 348.472 0.948 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@]2(C)C(=O)OC(C)(C)C)CC1 ZINC000859381320 589828932 /nfs/dbraw/zinc/82/89/32/589828932.db2.gz MJQOQBZSFRVYMD-LJQANCHMSA-N 1 2 349.475 0.960 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@]2(C)C(=O)OC(C)(C)C)CC1 ZINC000859381320 589828934 /nfs/dbraw/zinc/82/89/34/589828934.db2.gz MJQOQBZSFRVYMD-LJQANCHMSA-N 1 2 349.475 0.960 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCC[C@]2(C)C(=O)OC(C)(C)C)CC1 ZINC000859381320 589828937 /nfs/dbraw/zinc/82/89/37/589828937.db2.gz MJQOQBZSFRVYMD-LJQANCHMSA-N 1 2 349.475 0.960 20 30 ECEDLO C#CC[C@@H](COC)OC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C ZINC000861274053 589836651 /nfs/dbraw/zinc/83/66/51/589836651.db2.gz MHQAISQJUMAXCD-QEJZJMRPSA-N 1 2 349.387 0.290 20 30 ECEDLO CN1CCN(S(=O)(=O)c2ccc(C#N)nc2)Cc2ccc[nH+]c21 ZINC000867898525 589861178 /nfs/dbraw/zinc/86/11/78/589861178.db2.gz IHMOGMGOUJIXIA-UHFFFAOYSA-N 1 2 329.385 0.989 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000868940558 589936504 /nfs/dbraw/zinc/93/65/04/589936504.db2.gz SCRWITBRUBPTMU-OAHLLOKOSA-N 1 2 348.468 0.905 20 30 ECEDLO C#Cc1ccccc1CC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000862643526 589953163 /nfs/dbraw/zinc/95/31/63/589953163.db2.gz VRGPQWMHZGNHEZ-HXUWFJFHSA-N 1 2 342.439 0.942 20 30 ECEDLO C#Cc1ccccc1CC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000862643526 589953165 /nfs/dbraw/zinc/95/31/65/589953165.db2.gz VRGPQWMHZGNHEZ-HXUWFJFHSA-N 1 2 342.439 0.942 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)CCNC(=O)C(F)(F)F)CC1 ZINC000869399898 589963340 /nfs/dbraw/zinc/96/33/40/589963340.db2.gz YLXOMAWUEULKCE-UHFFFAOYSA-N 1 2 348.321 0.513 20 30 ECEDLO COCCCNC(=O)[C@@H](C#N)C(=O)Cc1cn2cc(F)ccc2[nH+]1 ZINC000870134193 590002156 /nfs/dbraw/zinc/00/21/56/590002156.db2.gz KKWWTUDCUMDUIZ-ZDUSSCGKSA-N 1 2 332.335 0.877 20 30 ECEDLO C=CCn1cc(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)nn1 ZINC000871545214 590079185 /nfs/dbraw/zinc/07/91/85/590079185.db2.gz HMTLOOLHXGZFGF-UHFFFAOYSA-N 1 2 349.435 1.000 20 30 ECEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(COC(=O)N2CCCC2)c1=O ZINC000871671352 590084156 /nfs/dbraw/zinc/08/41/56/590084156.db2.gz DJIDATLZSDZZAB-UHFFFAOYSA-N 1 2 346.387 0.742 20 30 ECEDLO CC(C)NC(=O)OC1C[NH+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000871981055 590095248 /nfs/dbraw/zinc/09/52/48/590095248.db2.gz UXJJECJSGJNAGR-CYBMUJFWSA-N 1 2 325.409 0.877 20 30 ECEDLO C#Cc1cccc(NC(=O)CNC(=O)/C=C\C[NH+]2CCOCC2)c1 ZINC000864939222 590117742 /nfs/dbraw/zinc/11/77/42/590117742.db2.gz FELZCOXYXLLHJU-DAXSKMNVSA-N 1 2 327.384 0.611 20 30 ECEDLO N#Cc1ccc(N2CCN(C(=O)/C=C\C[NH+]3CCOCC3)CC2)nc1 ZINC000864970022 590118977 /nfs/dbraw/zinc/11/89/77/590118977.db2.gz FNOBVHCXAVDDLF-UPHRSURJSA-N 1 2 341.415 0.490 20 30 ECEDLO Cc1ccn(C[C@@H](C)C(=O)N(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000865069315 590123203 /nfs/dbraw/zinc/12/32/03/590123203.db2.gz DBZMASDIFLSCRU-OAHLLOKOSA-N 1 2 333.436 0.902 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)c2ccncc2)CC1 ZINC000865177424 590129279 /nfs/dbraw/zinc/12/92/79/590129279.db2.gz BRIMPOUNMVVYKN-HNNXBMFYSA-N 1 2 328.416 0.469 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)c2ccncc2)CC1 ZINC000865177424 590129280 /nfs/dbraw/zinc/12/92/80/590129280.db2.gz BRIMPOUNMVVYKN-HNNXBMFYSA-N 1 2 328.416 0.469 20 30 ECEDLO CC[C@H]1COCC[N@@H+]1CCNS(=O)(=O)N(CC)C[C@@H](C)C#N ZINC000872645933 590137370 /nfs/dbraw/zinc/13/73/70/590137370.db2.gz VAFRXXKZZIOQSW-KBPBESRZSA-N 1 2 332.470 0.413 20 30 ECEDLO CC[C@H]1COCC[N@H+]1CCNS(=O)(=O)N(CC)C[C@@H](C)C#N ZINC000872645933 590137373 /nfs/dbraw/zinc/13/73/73/590137373.db2.gz VAFRXXKZZIOQSW-KBPBESRZSA-N 1 2 332.470 0.413 20 30 ECEDLO C#CCN(C(=O)C[N@H+](C)CCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000874147967 590222796 /nfs/dbraw/zinc/22/27/96/590222796.db2.gz PUDXGMJNOWRBNY-QGZVFWFLSA-N 1 2 348.468 0.810 20 30 ECEDLO C#CCN(C(=O)C[N@@H+](C)CCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000874147967 590222798 /nfs/dbraw/zinc/22/27/98/590222798.db2.gz PUDXGMJNOWRBNY-QGZVFWFLSA-N 1 2 348.468 0.810 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000875055026 590265999 /nfs/dbraw/zinc/26/59/99/590265999.db2.gz KQQZYMOFMPHIFF-AWEZNQCLSA-N 1 2 341.371 0.038 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000875135230 590274550 /nfs/dbraw/zinc/27/45/50/590274550.db2.gz SSXBCVZOFVETFF-HNNXBMFYSA-N 1 2 340.383 0.643 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC(F)(F)[C@@H](C(=O)OCC)C1 ZINC000879371609 590308612 /nfs/dbraw/zinc/30/86/12/590308612.db2.gz TYQXMGZZMJTPGV-WDEREUQCSA-N 1 2 347.362 0.907 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC(F)(F)[C@@H](C(=O)OCC)C1 ZINC000879371609 590308615 /nfs/dbraw/zinc/30/86/15/590308615.db2.gz TYQXMGZZMJTPGV-WDEREUQCSA-N 1 2 347.362 0.907 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000875598701 590312662 /nfs/dbraw/zinc/31/26/62/590312662.db2.gz JPAKZQGHQWOEGK-CQSZACIVSA-N 1 2 332.404 0.660 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000875598701 590312665 /nfs/dbraw/zinc/31/26/65/590312665.db2.gz JPAKZQGHQWOEGK-CQSZACIVSA-N 1 2 332.404 0.660 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@]2(CC(C(=O)OC)=NO2)C1 ZINC000879484269 590314726 /nfs/dbraw/zinc/31/47/26/590314726.db2.gz USXYXCISPIAISI-BLLLJJGKSA-N 1 2 336.392 0.388 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@]2(CC(C(=O)OC)=NO2)C1 ZINC000879484269 590314729 /nfs/dbraw/zinc/31/47/29/590314729.db2.gz USXYXCISPIAISI-BLLLJJGKSA-N 1 2 336.392 0.388 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879498013 590316359 /nfs/dbraw/zinc/31/63/59/590316359.db2.gz LNWSCROQWNZAFW-CQSZACIVSA-N 1 2 329.404 0.878 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879498013 590316362 /nfs/dbraw/zinc/31/63/62/590316362.db2.gz LNWSCROQWNZAFW-CQSZACIVSA-N 1 2 329.404 0.878 20 30 ECEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000879729053 590339704 /nfs/dbraw/zinc/33/97/04/590339704.db2.gz URKNEPSCUOYGER-DJIMGWMZSA-N 1 2 345.399 0.277 20 30 ECEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000879729053 590339705 /nfs/dbraw/zinc/33/97/05/590339705.db2.gz URKNEPSCUOYGER-DJIMGWMZSA-N 1 2 345.399 0.277 20 30 ECEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000879729054 590339820 /nfs/dbraw/zinc/33/98/20/590339820.db2.gz URKNEPSCUOYGER-HYVNUMGLSA-N 1 2 345.399 0.277 20 30 ECEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000879729054 590339823 /nfs/dbraw/zinc/33/98/23/590339823.db2.gz URKNEPSCUOYGER-HYVNUMGLSA-N 1 2 345.399 0.277 20 30 ECEDLO N#CC1(NC(=O)C[N@H+]2CCc3c(CC(N)=O)cccc3C2)CCC1 ZINC000879232601 590572425 /nfs/dbraw/zinc/57/24/25/590572425.db2.gz DNMUCIFNDAZLCL-UHFFFAOYSA-N 1 2 326.400 0.635 20 30 ECEDLO N#CC1(NC(=O)C[N@@H+]2CCc3c(CC(N)=O)cccc3C2)CCC1 ZINC000879232601 590572427 /nfs/dbraw/zinc/57/24/27/590572427.db2.gz DNMUCIFNDAZLCL-UHFFFAOYSA-N 1 2 326.400 0.635 20 30 ECEDLO C#CC1(F)CN(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)C1 ZINC000883797779 590668269 /nfs/dbraw/zinc/66/82/69/590668269.db2.gz KWKDYXDBHKQLNC-HNNXBMFYSA-N 1 2 332.379 0.649 20 30 ECEDLO C#CC1(F)CN(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)C1 ZINC000883797779 590668272 /nfs/dbraw/zinc/66/82/72/590668272.db2.gz KWKDYXDBHKQLNC-HNNXBMFYSA-N 1 2 332.379 0.649 20 30 ECEDLO N#Cc1ccc(Cn2cc(C[NH+](CCO)CCO)nn2)c(Cl)c1 ZINC000884000294 590701464 /nfs/dbraw/zinc/70/14/64/590701464.db2.gz PUTJVBQBLLTADS-UHFFFAOYSA-N 1 2 335.795 0.638 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2c(C)nn(C)c2Cl)C1 ZINC000885512868 590730304 /nfs/dbraw/zinc/73/03/04/590730304.db2.gz ZLPQTHZKNLEEAV-LLVKDONJSA-N 1 2 330.841 0.758 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2c(C)nn(C)c2Cl)C1 ZINC000885512868 590730307 /nfs/dbraw/zinc/73/03/07/590730307.db2.gz ZLPQTHZKNLEEAV-LLVKDONJSA-N 1 2 330.841 0.758 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)NC)cc2)C1 ZINC000885514397 590730504 /nfs/dbraw/zinc/73/05/04/590730504.db2.gz ZOVYPBMGUIBBMX-CQSZACIVSA-N 1 2 335.429 0.422 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)NC)cc2)C1 ZINC000885514397 590730508 /nfs/dbraw/zinc/73/05/08/590730508.db2.gz ZOVYPBMGUIBBMX-CQSZACIVSA-N 1 2 335.429 0.422 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000884175950 590763042 /nfs/dbraw/zinc/76/30/42/590763042.db2.gz OODWYSMMGWKEEE-HNNXBMFYSA-N 1 2 333.388 0.908 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2nc(C)cc(=O)[nH]2)CC1 ZINC000886655347 590868644 /nfs/dbraw/zinc/86/86/44/590868644.db2.gz LUIIYUKUKYJHMM-CYBMUJFWSA-N 1 2 346.435 0.621 20 30 ECEDLO N#Cc1cc(C(=O)NC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)c[nH]1 ZINC000946588971 611356294 /nfs/dbraw/zinc/35/62/94/611356294.db2.gz YNSGVTWCWHWATC-UHFFFAOYSA-N 1 2 340.387 0.963 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2OC)C1 ZINC000946635464 611379128 /nfs/dbraw/zinc/37/91/28/611379128.db2.gz RLNDRFCEIJIHMT-HUUCEWRRSA-N 1 2 346.431 0.972 20 30 ECEDLO N#Cc1ccc(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)nc1 ZINC000935995663 611424489 /nfs/dbraw/zinc/42/44/89/611424489.db2.gz WXDMHRVCQZCAKQ-CVEARBPZSA-N 1 2 330.388 0.449 20 30 ECEDLO C#Cc1ccc(NC(=O)CC[N@H+]2CCOC[C@H]2CNC(=O)NC)cc1 ZINC000931506894 611546919 /nfs/dbraw/zinc/54/69/19/611546919.db2.gz GRFBWQONDILBFW-MRXNPFEDSA-N 1 2 344.415 0.626 20 30 ECEDLO C#Cc1ccc(NC(=O)CC[N@@H+]2CCOC[C@H]2CNC(=O)NC)cc1 ZINC000931506894 611546923 /nfs/dbraw/zinc/54/69/23/611546923.db2.gz GRFBWQONDILBFW-MRXNPFEDSA-N 1 2 344.415 0.626 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000948475785 611613811 /nfs/dbraw/zinc/61/38/11/611613811.db2.gz VTQDZHDHFIDMOT-CABCVRRESA-N 1 2 332.404 0.581 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000947656341 611637376 /nfs/dbraw/zinc/63/73/76/611637376.db2.gz QTIJZNINHFTFIA-ZBFHGGJFSA-N 1 2 346.431 0.959 20 30 ECEDLO CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000937055180 608932365 /nfs/dbraw/zinc/93/23/65/608932365.db2.gz VZFTWKWPFZTWLV-CYBMUJFWSA-N 1 2 326.360 0.456 20 30 ECEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)C2CCS(=O)(=O)CC2)C[C@@H]1C ZINC000947761910 611680731 /nfs/dbraw/zinc/68/07/31/611680731.db2.gz SALMAFDILQXXBM-ZFWWWQNUSA-N 1 2 326.462 0.804 20 30 ECEDLO CC#CC[N@H+]1CC[C@H](NC(=O)C2CCS(=O)(=O)CC2)C[C@@H]1C ZINC000947761910 611680733 /nfs/dbraw/zinc/68/07/33/611680733.db2.gz SALMAFDILQXXBM-ZFWWWQNUSA-N 1 2 326.462 0.804 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CCOC2(CCN(CC#N)CC2)C1 ZINC000949151153 609086109 /nfs/dbraw/zinc/08/61/09/609086109.db2.gz IWNKWCQKZPPDNY-UHFFFAOYSA-N 1 2 331.420 0.570 20 30 ECEDLO CCN(C(=O)c1c[nH]c(C#N)c1)C1C[NH+](Cc2ccn(C)c(=O)c2)C1 ZINC000949918863 609098092 /nfs/dbraw/zinc/09/80/92/609098092.db2.gz GYDNLAONJATIFM-UHFFFAOYSA-N 1 2 339.399 0.932 20 30 ECEDLO C#CCn1cc(CNC(=O)c2cccn2CC[NH+]2CCOCC2)cn1 ZINC000907790035 609622471 /nfs/dbraw/zinc/62/24/71/609622471.db2.gz NSXVUQDOASHQPR-UHFFFAOYSA-N 1 2 341.415 0.580 20 30 ECEDLO C[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H](C)N1CC#N ZINC000913876812 609830127 /nfs/dbraw/zinc/83/01/27/609830127.db2.gz MOMILLPLHSHDOF-HUUCEWRRSA-N 1 2 337.468 0.725 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000938599275 609890595 /nfs/dbraw/zinc/89/05/95/609890595.db2.gz UEZORFBBVMOIHC-ZOBUZTSGSA-N 1 2 346.431 0.993 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCCNc1ccc(C#N)cn1 ZINC000916466264 609940310 /nfs/dbraw/zinc/94/03/10/609940310.db2.gz KBMIZAMAZQQNNX-CYBMUJFWSA-N 1 2 332.408 0.385 20 30 ECEDLO C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C[C@@H](C)N1CC#N ZINC000916619683 609944292 /nfs/dbraw/zinc/94/42/92/609944292.db2.gz PLTCCRSJZLEFGT-HUUCEWRRSA-N 1 2 337.468 0.725 20 30 ECEDLO C[C@@H]1CN(C(=O)NCC[N@H+]2CCOCC2(C)C)C[C@@H](C)N1CC#N ZINC000916619683 609944295 /nfs/dbraw/zinc/94/42/95/609944295.db2.gz PLTCCRSJZLEFGT-HUUCEWRRSA-N 1 2 337.468 0.725 20 30 ECEDLO Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c(C#N)c1 ZINC000917066241 609960309 /nfs/dbraw/zinc/96/03/09/609960309.db2.gz HTXWMMAYIKMEQU-OAHLLOKOSA-N 1 2 334.445 0.535 20 30 ECEDLO Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c(C#N)c1 ZINC000917066241 609960311 /nfs/dbraw/zinc/96/03/11/609960311.db2.gz HTXWMMAYIKMEQU-OAHLLOKOSA-N 1 2 334.445 0.535 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000939756206 610122311 /nfs/dbraw/zinc/12/23/11/610122311.db2.gz CPPVTVVDCRZHSI-MCIONIFRSA-N 1 2 332.404 0.603 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000939933813 610170922 /nfs/dbraw/zinc/17/09/22/610170922.db2.gz CEKAHYOVRLMXIH-DGCLKSJQSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000939933813 610170923 /nfs/dbraw/zinc/17/09/23/610170923.db2.gz CEKAHYOVRLMXIH-DGCLKSJQSA-N 1 2 340.387 0.819 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000940098599 610207959 /nfs/dbraw/zinc/20/79/59/610207959.db2.gz BRORSRCZCFIRIQ-CYBMUJFWSA-N 1 2 340.387 0.583 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)CC2)C1 ZINC000941428153 610301742 /nfs/dbraw/zinc/30/17/42/610301742.db2.gz LEJAWEFXJJKEEK-OAHLLOKOSA-N 1 2 346.475 0.095 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccn(C(F)F)n3)CC2)C1 ZINC000941422258 610307658 /nfs/dbraw/zinc/30/76/58/610307658.db2.gz JWLQTBMOEIVPJU-UHFFFAOYSA-N 1 2 337.374 0.744 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ncccc3NC(C)=O)CC2)C1 ZINC000941431030 610312250 /nfs/dbraw/zinc/31/22/50/610312250.db2.gz IFNGRKVJZZXTNO-UHFFFAOYSA-N 1 2 341.415 0.115 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccc4[nH]c(=O)[nH]c43)CC2)C1 ZINC000941437706 610315264 /nfs/dbraw/zinc/31/52/64/610315264.db2.gz CXVDUDJGRVVMED-UHFFFAOYSA-N 1 2 339.399 0.344 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ncc(C)cc3OC)CC2)C1 ZINC000941440204 610316439 /nfs/dbraw/zinc/31/64/39/610316439.db2.gz CKYMSQFETSESEY-UHFFFAOYSA-N 1 2 328.416 0.474 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc4c(c3)nnn4C)CC2)C1 ZINC000941459504 610319875 /nfs/dbraw/zinc/31/98/75/610319875.db2.gz DOZQCYMPIBELMS-UHFFFAOYSA-N 1 2 338.415 0.044 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CCCN(C(=O)Cc3[nH]cc[nH+]3)CC2)c1 ZINC000940644663 610321834 /nfs/dbraw/zinc/32/18/34/610321834.db2.gz FZPFIKMXMLZNNH-UHFFFAOYSA-N 1 2 326.360 0.527 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000941449237 610323920 /nfs/dbraw/zinc/32/39/20/610323920.db2.gz HLRLJDXEKVANBS-KBPBESRZSA-N 1 2 329.404 0.666 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000941449766 610324120 /nfs/dbraw/zinc/32/41/20/610324120.db2.gz TYVDBSWNFJAQAT-KBPBESRZSA-N 1 2 329.404 0.666 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cccn4nccc34)CC2)C1 ZINC000941471960 610330405 /nfs/dbraw/zinc/33/04/05/610330405.db2.gz PQYATUVMTIRRQY-UHFFFAOYSA-N 1 2 337.427 0.800 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@H]3CC[C@@H](C4CC4)O3)CC2)C1 ZINC000941499319 610344278 /nfs/dbraw/zinc/34/42/78/610344278.db2.gz SHDIYDJSKCSNPW-MSOLQXFVSA-N 1 2 331.460 0.796 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000940720385 610345909 /nfs/dbraw/zinc/34/59/09/610345909.db2.gz QQZVVYJERUAPNJ-YCPHGPKFSA-N 1 2 332.404 0.581 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCc3ccccn3)CC2)C1 ZINC000941513730 610352850 /nfs/dbraw/zinc/35/28/50/610352850.db2.gz PVNAFWYIEDCNLK-UHFFFAOYSA-N 1 2 326.444 0.866 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3nn(C)c(C)c3Cl)CC2)C1 ZINC000941587060 610396947 /nfs/dbraw/zinc/39/69/47/610396947.db2.gz JJKPTTWOOVBOHA-UHFFFAOYSA-N 1 2 335.839 0.457 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@H]3CCCCN3C(C)=O)CC2)C1 ZINC000941601507 610401849 /nfs/dbraw/zinc/40/18/49/610401849.db2.gz RDCXQHHLNBMTIM-QGZVFWFLSA-N 1 2 346.475 0.239 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCc3ncccn3)CC2)C1 ZINC000941610852 610407274 /nfs/dbraw/zinc/40/72/74/610407274.db2.gz AOSJBODUTCJIDK-UHFFFAOYSA-N 1 2 327.432 0.261 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3snnc3C(C)C)CC2)C1 ZINC000941613196 610409049 /nfs/dbraw/zinc/40/90/49/610409049.db2.gz HRSKDSRWUUTTMN-UHFFFAOYSA-N 1 2 333.461 0.737 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccc(OC)c3F)CC2)C1 ZINC000941615028 610410854 /nfs/dbraw/zinc/41/08/54/610410854.db2.gz OCYNDVPTARXSQS-UHFFFAOYSA-N 1 2 331.391 0.910 20 30 ECEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000940873616 610420965 /nfs/dbraw/zinc/42/09/65/610420965.db2.gz RZJUAWLYUMSHHN-UONOGXRCSA-N 1 2 326.462 0.661 20 30 ECEDLO C#CC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000940873616 610420968 /nfs/dbraw/zinc/42/09/68/610420968.db2.gz RZJUAWLYUMSHHN-UONOGXRCSA-N 1 2 326.462 0.661 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000940953465 610447271 /nfs/dbraw/zinc/44/72/71/610447271.db2.gz DHEWCMUQLCCTLW-GXTWGEPZSA-N 1 2 346.456 0.983 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000940953465 610447273 /nfs/dbraw/zinc/44/72/73/610447273.db2.gz DHEWCMUQLCCTLW-GXTWGEPZSA-N 1 2 346.456 0.983 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCN(C(=O)C#CC2CC2)CC1 ZINC000941003897 610488376 /nfs/dbraw/zinc/48/83/76/610488376.db2.gz LEDVBONISWUSLC-HZPDHXFCSA-N 1 2 340.427 0.998 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@@H]2C)C1 ZINC000942603324 610534597 /nfs/dbraw/zinc/53/45/97/610534597.db2.gz VOOLDHXPVFHYMB-STQMWFEESA-N 1 2 333.436 0.791 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@@H]2C)C1 ZINC000942603324 610534599 /nfs/dbraw/zinc/53/45/99/610534599.db2.gz VOOLDHXPVFHYMB-STQMWFEESA-N 1 2 333.436 0.791 20 30 ECEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C(C)(C)C1 ZINC000941100082 610547120 /nfs/dbraw/zinc/54/71/20/610547120.db2.gz RWIBBLKMWRGIPO-CYBMUJFWSA-N 1 2 344.419 0.474 20 30 ECEDLO C=CC[N@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C(C)(C)C1 ZINC000941100082 610547121 /nfs/dbraw/zinc/54/71/21/610547121.db2.gz RWIBBLKMWRGIPO-CYBMUJFWSA-N 1 2 344.419 0.474 20 30 ECEDLO C[C@H]1C[N@H+](Cc2ncnn2C)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966848 610580287 /nfs/dbraw/zinc/58/02/87/610580287.db2.gz OHJDKFXXRBOJRQ-AAEUAGOBSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@H]1C[N@@H+](Cc2ncnn2C)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966848 610580290 /nfs/dbraw/zinc/58/02/90/610580290.db2.gz OHJDKFXXRBOJRQ-AAEUAGOBSA-N 1 2 327.392 0.655 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nc1 ZINC000941262527 610630879 /nfs/dbraw/zinc/63/08/79/610630879.db2.gz SLXAQJKEJBRPNE-RBSFLKMASA-N 1 2 349.394 0.920 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nc1 ZINC000941262527 610630882 /nfs/dbraw/zinc/63/08/82/610630882.db2.gz SLXAQJKEJBRPNE-RBSFLKMASA-N 1 2 349.394 0.920 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCCN2C(=O)Cc2[nH]cc[nH+]2)nn1 ZINC000944235214 610802232 /nfs/dbraw/zinc/80/22/32/610802232.db2.gz GCRQBKVFYXCDBP-GFCCVEGCSA-N 1 2 343.391 0.151 20 30 ECEDLO C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945280195 610995270 /nfs/dbraw/zinc/99/52/70/610995270.db2.gz NUQJJUJATWMNPI-SWLSCSKDSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000945542022 611065804 /nfs/dbraw/zinc/06/58/04/611065804.db2.gz NKULUPXHEKTGKO-XHDPSFHLSA-N 1 2 340.387 0.819 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)CC[C@@H]21 ZINC000945954622 611174592 /nfs/dbraw/zinc/17/45/92/611174592.db2.gz RPTYWOCGBAWOSP-WBVHZDCISA-N 1 2 340.427 0.825 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC000946067910 611221283 /nfs/dbraw/zinc/22/12/83/611221283.db2.gz VYBCTDOWONQPQM-GDBMZVCRSA-N 1 2 326.400 0.815 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cn(CCOC)c(C)cc2=O)C1 ZINC000923559494 611261257 /nfs/dbraw/zinc/26/12/57/611261257.db2.gz GNXAAZPTHDJLDU-HNNXBMFYSA-N 1 2 331.416 0.631 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cn(CCOC)c(C)cc2=O)C1 ZINC000923559494 611261259 /nfs/dbraw/zinc/26/12/59/611261259.db2.gz GNXAAZPTHDJLDU-HNNXBMFYSA-N 1 2 331.416 0.631 20 30 ECEDLO CCn1c(=O)c2ccc(C(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)cc2[nH]c1=S ZINC000834512479 611289886 /nfs/dbraw/zinc/28/98/86/611289886.db2.gz XPWDRVHSNBHEGI-GWCFXTLKSA-N 1 2 343.412 0.546 20 30 ECEDLO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000834512307 611289891 /nfs/dbraw/zinc/28/98/91/611289891.db2.gz UTXZOTPOUAMLDO-GWCFXTLKSA-N 1 2 343.412 0.303 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)Cn2cc[nH+]c2)[nH]1 ZINC000946240284 611314634 /nfs/dbraw/zinc/31/46/34/611314634.db2.gz NYCRHAWAZHUOBW-GXTWGEPZSA-N 1 2 340.387 0.798 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)C2(O)CCOCC2)c1 ZINC000929290663 611742715 /nfs/dbraw/zinc/74/27/15/611742715.db2.gz ZRGYHTRSOUYKCZ-MRXNPFEDSA-N 1 2 332.400 0.441 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)C2(O)CCOCC2)c1 ZINC000929290663 611742716 /nfs/dbraw/zinc/74/27/16/611742716.db2.gz ZRGYHTRSOUYKCZ-MRXNPFEDSA-N 1 2 332.400 0.441 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCS(C)(=O)=O)[C@H](C)C2)nc1 ZINC000947948187 611752297 /nfs/dbraw/zinc/75/22/97/611752297.db2.gz MMNHSABQTNWBCV-UKRRQHHQSA-N 1 2 349.456 0.690 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCS(C)(=O)=O)[C@H](C)C2)nc1 ZINC000947948187 611752298 /nfs/dbraw/zinc/75/22/98/611752298.db2.gz MMNHSABQTNWBCV-UKRRQHHQSA-N 1 2 349.456 0.690 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nn3)[C@@H](C)C2)cn1 ZINC000947948669 611752536 /nfs/dbraw/zinc/75/25/36/611752536.db2.gz PCTNJGMQVCIDLG-BBRMVZONSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cn(C)nn3)[C@@H](C)C2)cn1 ZINC000947948669 611752538 /nfs/dbraw/zinc/75/25/38/611752538.db2.gz PCTNJGMQVCIDLG-BBRMVZONSA-N 1 2 338.415 0.974 20 30 ECEDLO N#CCc1ccnc(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c1 ZINC000934861254 611827293 /nfs/dbraw/zinc/82/72/93/611827293.db2.gz FCWLHTIPNZOHRF-CABCVRRESA-N 1 2 330.388 0.966 20 30 ECEDLO O=C(C#CC1CC1)N1CCC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000950763864 611895739 /nfs/dbraw/zinc/89/57/39/611895739.db2.gz CSOBEHGTHPYGLA-JKSUJKDBSA-N 1 2 340.427 0.966 20 30 ECEDLO O=C(C#CC1CC1)N1CCC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000950763823 611895775 /nfs/dbraw/zinc/89/57/75/611895775.db2.gz BTZANROMHJYHAD-HZPDHXFCSA-N 1 2 340.427 0.966 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCOC2(CCN(CC#N)CC2)C1 ZINC000949207308 611900047 /nfs/dbraw/zinc/90/00/47/611900047.db2.gz KKTOOVANUDFFJM-AWEZNQCLSA-N 1 2 331.420 0.805 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCOC2(CCN(CC#N)CC2)C1 ZINC000949207308 611900049 /nfs/dbraw/zinc/90/00/49/611900049.db2.gz KKTOOVANUDFFJM-AWEZNQCLSA-N 1 2 331.420 0.805 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CCN2C(=O)Cc2c[nH+]c[nH]2)nn1 ZINC000950196392 611901740 /nfs/dbraw/zinc/90/17/40/611901740.db2.gz JSGSOYCKRRJTQN-ZDUSSCGKSA-N 1 2 343.391 0.151 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CCN2C(=O)Cn2cc[nH+]c2)nn1 ZINC000950197504 611902149 /nfs/dbraw/zinc/90/21/49/611902149.db2.gz ZACYITMZZNKSKT-ZDUSSCGKSA-N 1 2 343.391 0.082 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN2C(=O)CCc2c[nH]c[nH+]2)c1 ZINC000949299278 611931949 /nfs/dbraw/zinc/93/19/49/611931949.db2.gz WRPHLXVAEXVJNY-ZDUSSCGKSA-N 1 2 326.360 0.573 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN2C(=O)CCc2c[nH+]c[nH]2)c1 ZINC000949299278 611931951 /nfs/dbraw/zinc/93/19/51/611931951.db2.gz WRPHLXVAEXVJNY-ZDUSSCGKSA-N 1 2 326.360 0.573 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC000950852100 611944389 /nfs/dbraw/zinc/94/43/89/611944389.db2.gz PDDQEGWIJLGSEC-GFCCVEGCSA-N 1 2 343.391 0.151 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)CC2)C1 ZINC000949512059 612015764 /nfs/dbraw/zinc/01/57/64/612015764.db2.gz FWYONCCWBISJHG-OAHLLOKOSA-N 1 2 342.443 0.841 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)CC2)C1 ZINC000949512059 612015766 /nfs/dbraw/zinc/01/57/66/612015766.db2.gz FWYONCCWBISJHG-OAHLLOKOSA-N 1 2 342.443 0.841 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cnn(CCOC)c3)CC2)C1 ZINC000949519954 612018855 /nfs/dbraw/zinc/01/88/55/612018855.db2.gz CQIYLHBBJAUGBF-UHFFFAOYSA-N 1 2 346.431 0.470 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cnn(CCOC)c3)CC2)C1 ZINC000949519954 612018856 /nfs/dbraw/zinc/01/88/56/612018856.db2.gz CQIYLHBBJAUGBF-UHFFFAOYSA-N 1 2 346.431 0.470 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cncc(C(N)=O)c3)CC2)C1 ZINC000949529373 612022602 /nfs/dbraw/zinc/02/26/02/612022602.db2.gz QTEQLVZGYBRBPJ-UHFFFAOYSA-N 1 2 342.399 0.121 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cncc(C(N)=O)c3)CC2)C1 ZINC000949529373 612022604 /nfs/dbraw/zinc/02/26/04/612022604.db2.gz QTEQLVZGYBRBPJ-UHFFFAOYSA-N 1 2 342.399 0.121 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3c[nH]c(C(N)=O)c3)CC2)C1 ZINC000949529484 612022670 /nfs/dbraw/zinc/02/26/70/612022670.db2.gz WCVOWRASENYIAC-UHFFFAOYSA-N 1 2 330.388 0.054 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3c[nH]c(C(N)=O)c3)CC2)C1 ZINC000949529484 612022672 /nfs/dbraw/zinc/02/26/72/612022672.db2.gz WCVOWRASENYIAC-UHFFFAOYSA-N 1 2 330.388 0.054 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)cn1 ZINC000951252342 612105821 /nfs/dbraw/zinc/10/58/21/612105821.db2.gz CSZWVDPILIPKCU-INIZCTEOSA-N 1 2 337.383 0.680 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000951255197 612109491 /nfs/dbraw/zinc/10/94/91/612109491.db2.gz KLVQCSKUDIYFQU-ZOBUZTSGSA-N 1 2 346.431 0.972 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000951413955 612214742 /nfs/dbraw/zinc/21/47/42/612214742.db2.gz QBJPDZHENHCKQG-ZDUSSCGKSA-N 1 2 340.387 0.583 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC000951494684 612269561 /nfs/dbraw/zinc/26/95/61/612269561.db2.gz PSPVEMVJTPUUQT-OAHLLOKOSA-N 1 2 337.383 0.750 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000953401506 612310866 /nfs/dbraw/zinc/31/08/66/612310866.db2.gz CBKZTBVYTVXNBY-HUUCEWRRSA-N 1 2 326.400 0.815 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[NH+](CCc3cnn(CC)c3)CC2)nn1 ZINC000951559554 612344277 /nfs/dbraw/zinc/34/42/77/612344277.db2.gz BWVYMEUKENPRMU-UHFFFAOYSA-N 1 2 343.435 0.681 20 30 ECEDLO C=CCn1cc(C(=O)N(CC)C2C[NH+](CCc3cnn(C)c3)C2)nn1 ZINC000952425320 612425178 /nfs/dbraw/zinc/42/51/78/612425178.db2.gz MNDWTIQRENKWQQ-UHFFFAOYSA-N 1 2 343.435 0.587 20 30 ECEDLO CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CN(C(=O)C#CC2CC2)C1 ZINC000954606775 612443269 /nfs/dbraw/zinc/44/32/69/612443269.db2.gz RKPFWOOBSRBTDQ-CQSZACIVSA-N 1 2 326.400 0.528 20 30 ECEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000954636354 612476357 /nfs/dbraw/zinc/47/63/57/612476357.db2.gz KLMOXISIWJCHHF-ZIAGYGMSSA-N 1 2 338.371 0.696 20 30 ECEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000954636354 612476359 /nfs/dbraw/zinc/47/63/59/612476359.db2.gz KLMOXISIWJCHHF-ZIAGYGMSSA-N 1 2 338.371 0.696 20 30 ECEDLO C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000956802938 612566778 /nfs/dbraw/zinc/56/67/78/612566778.db2.gz WBFPYAFQJKDTDQ-INIZCTEOSA-N 1 2 326.360 0.573 20 30 ECEDLO O=C(C#CC1CC1)N1CCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000956004104 612596015 /nfs/dbraw/zinc/59/60/15/612596015.db2.gz LZTWNLFCCPUSBC-RDJZCZTQSA-N 1 2 340.427 0.966 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000956841629 612614897 /nfs/dbraw/zinc/61/48/97/612614897.db2.gz NNAVXYCMFODGTQ-QGZVFWFLSA-N 1 2 340.387 0.583 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCCN2C(=O)Cn2cc[nH+]c2)nn1 ZINC000956079467 612683501 /nfs/dbraw/zinc/68/35/01/612683501.db2.gz IMWYYXSDNCPJJL-ZDUSSCGKSA-N 1 2 343.391 0.082 20 30 ECEDLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H](C)C#N)C1 ZINC000954819999 612712876 /nfs/dbraw/zinc/71/28/76/612712876.db2.gz PSYFAUROYOAFST-DZGCQCFKSA-N 1 2 336.436 0.316 20 30 ECEDLO CCCC[N@H+]1CCOC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@@H](C)C#N)C1 ZINC000954819999 612712877 /nfs/dbraw/zinc/71/28/77/612712877.db2.gz PSYFAUROYOAFST-DZGCQCFKSA-N 1 2 336.436 0.316 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)Cc3c[nH+]cn3C)C2)nc1 ZINC000954837886 612731558 /nfs/dbraw/zinc/73/15/58/612731558.db2.gz XOPGQAZJJJXCGE-UHFFFAOYSA-N 1 2 337.383 0.322 20 30 ECEDLO CC1(NC(=O)c2c[nH]c(C#N)c2)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000956347144 612845591 /nfs/dbraw/zinc/84/55/91/612845591.db2.gz WXCDLWOJPVPZRI-UHFFFAOYSA-N 1 2 340.387 0.963 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000954381718 612885400 /nfs/dbraw/zinc/88/54/00/612885400.db2.gz GPQXAWKZTRENCT-YOEHRIQHSA-N 1 2 346.431 0.993 20 30 ECEDLO CC(C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)CC1 ZINC000956584658 612918659 /nfs/dbraw/zinc/91/86/59/612918659.db2.gz RXJRDFUFDXVOJF-OAHLLOKOSA-N 1 2 343.431 0.901 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@H]3CCOC3)CC2)C1 ZINC000956589537 612920151 /nfs/dbraw/zinc/92/01/51/612920151.db2.gz XFKUPNZRSBDQSP-JKSUJKDBSA-N 1 2 349.475 0.980 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CC(C)(C)O)CC2)C1 ZINC000956591835 612920930 /nfs/dbraw/zinc/92/09/30/612920930.db2.gz AAFORGMKTOQETA-UONOGXRCSA-N 1 2 336.436 0.052 20 30 ECEDLO CC(C)(O)CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)C#CC3CC3)C2)CC1 ZINC000956592902 612921153 /nfs/dbraw/zinc/92/11/53/612921153.db2.gz NOPWMSMYDLEYRP-INIZCTEOSA-N 1 2 347.459 0.306 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[NH+]([C@H]3CCN(C(=O)COC)C3)CC2)C1 ZINC000956603295 612924080 /nfs/dbraw/zinc/92/40/80/612924080.db2.gz AXATWLLIGXXKFN-HNNXBMFYSA-N 1 2 335.448 0.734 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001024987790 738462356 /nfs/dbraw/zinc/46/23/56/738462356.db2.gz URDAEGOABWUNKP-IRXDYDNUSA-N 1 2 344.463 0.383 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC000969418344 731841023 /nfs/dbraw/zinc/84/10/23/731841023.db2.gz GPYAQWYDIIJBQE-KEYYUXOJSA-N 1 2 334.420 0.551 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cn2cncc2C)[C@@H](n2ccnn2)C1 ZINC001069980447 790274312 /nfs/dbraw/zinc/27/43/12/790274312.db2.gz VSMYMEVPWKQMSQ-CABCVRRESA-N 1 2 329.408 0.401 20 30 ECEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cn2cncc2C)[C@@H](n2ccnn2)C1 ZINC001069980447 790274315 /nfs/dbraw/zinc/27/43/15/790274315.db2.gz VSMYMEVPWKQMSQ-CABCVRRESA-N 1 2 329.408 0.401 20 30 ECEDLO CCn1nncc1C[NH+]1CC([C@@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000969463042 731910448 /nfs/dbraw/zinc/91/04/48/731910448.db2.gz JBXXNPGTZXQWCA-LLVKDONJSA-N 1 2 327.392 0.748 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000969586254 731985905 /nfs/dbraw/zinc/98/59/05/731985905.db2.gz IURZGBBLXJQPJZ-GFCCVEGCSA-N 1 2 329.404 0.925 20 30 ECEDLO Cc1cc(C)c(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2O)c(C)[nH+]1 ZINC000969597533 731995252 /nfs/dbraw/zinc/99/52/52/731995252.db2.gz LEYKSHZHUDDQOW-HONMWMINSA-N 1 2 330.388 0.468 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(c3ccccc3)CCCO2)C1 ZINC001078075331 782259328 /nfs/dbraw/zinc/25/93/28/782259328.db2.gz KTFLLDGPNXTELL-ZHALLVOQSA-N 1 2 328.412 0.877 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(c3ccccc3)CCCO2)C1 ZINC001078075331 782259339 /nfs/dbraw/zinc/25/93/39/782259339.db2.gz KTFLLDGPNXTELL-ZHALLVOQSA-N 1 2 328.412 0.877 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)c1cnn2cc[nH]c12 ZINC001078078607 782269658 /nfs/dbraw/zinc/26/96/58/782269658.db2.gz FKIMBYWGULNKPN-IAGOWNOFSA-N 1 2 349.394 0.489 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)c1cnn2cc[nH]c12 ZINC001078078607 782269665 /nfs/dbraw/zinc/26/96/65/782269665.db2.gz FKIMBYWGULNKPN-IAGOWNOFSA-N 1 2 349.394 0.489 20 30 ECEDLO C#CCCS(=O)(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000288275749 732917192 /nfs/dbraw/zinc/91/71/92/732917192.db2.gz IKGKUJOKXNJTEO-HNNXBMFYSA-N 1 2 336.461 0.535 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC000970195704 733173567 /nfs/dbraw/zinc/17/35/67/733173567.db2.gz RMBILFGSRJLKNU-MFKMUULPSA-N 1 2 337.811 0.555 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3ccsc3)[C@@H](O)C2)C1=O ZINC001083328392 733339283 /nfs/dbraw/zinc/33/92/83/733339283.db2.gz NMIKJESKVRSCLN-RDBSUJKOSA-N 1 2 335.429 0.310 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3ccsc3)[C@@H](O)C2)C1=O ZINC001083328392 733339287 /nfs/dbraw/zinc/33/92/87/733339287.db2.gz NMIKJESKVRSCLN-RDBSUJKOSA-N 1 2 335.429 0.310 20 30 ECEDLO C[C@@H](NC(=O)[C@H]1CNC(=O)N1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000970356853 733407311 /nfs/dbraw/zinc/40/73/11/733407311.db2.gz DWUCCCAPGKPUQU-MEBBXXQBSA-N 1 2 345.378 0.315 20 30 ECEDLO C[C@@H](CNC(=O)CCc1[nH+]ccn1C)CNc1ccnc(C#N)n1 ZINC001104289412 733920371 /nfs/dbraw/zinc/92/03/71/733920371.db2.gz PJCTXTYNZJALBP-GFCCVEGCSA-N 1 2 327.392 0.301 20 30 ECEDLO C[C@H](CNC(=O)CCc1[nH+]ccn1C)CNc1cncc(C#N)n1 ZINC001104289825 733952443 /nfs/dbraw/zinc/95/24/43/733952443.db2.gz VRLFJBVZCDZLJA-LBPRGKRZSA-N 1 2 327.392 0.879 20 30 ECEDLO CC[C@@H](C)c1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)on1 ZINC001114943005 734021445 /nfs/dbraw/zinc/02/14/45/734021445.db2.gz QDMLONVCWJCEFW-YMEQNVIZSA-N 1 2 345.403 0.488 20 30 ECEDLO CC[C@@H](C)c1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)on1 ZINC001114943005 734021451 /nfs/dbraw/zinc/02/14/51/734021451.db2.gz QDMLONVCWJCEFW-YMEQNVIZSA-N 1 2 345.403 0.488 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn4cc(C)cnc34)[C@H]2C1 ZINC001083210359 734184386 /nfs/dbraw/zinc/18/43/86/734184386.db2.gz XKYSGWYNQPIGHF-JKSUJKDBSA-N 1 2 339.399 0.586 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn4cc(C)cnc34)[C@H]2C1 ZINC001083210359 734184389 /nfs/dbraw/zinc/18/43/89/734184389.db2.gz XKYSGWYNQPIGHF-JKSUJKDBSA-N 1 2 339.399 0.586 20 30 ECEDLO N#Cc1cnccc1N1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001104321646 734296141 /nfs/dbraw/zinc/29/61/41/734296141.db2.gz KQVYEGRMBWGMTG-AWEZNQCLSA-N 1 2 326.360 0.171 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([N@H+](C)Cc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000971221232 734366853 /nfs/dbraw/zinc/36/68/53/734366853.db2.gz NSQOLROUURBKGR-GHMZBOCLSA-N 1 2 343.391 0.261 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([N@@H+](C)Cc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000971221232 734366855 /nfs/dbraw/zinc/36/68/55/734366855.db2.gz NSQOLROUURBKGR-GHMZBOCLSA-N 1 2 343.391 0.261 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cnnn2C)C1 ZINC000971450343 734604631 /nfs/dbraw/zinc/60/46/31/734604631.db2.gz BSCZCXFNXWYNKW-SNVBAGLBSA-N 1 2 328.214 0.870 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2cnnn2C)C1 ZINC000971450343 734604635 /nfs/dbraw/zinc/60/46/35/734604635.db2.gz BSCZCXFNXWYNKW-SNVBAGLBSA-N 1 2 328.214 0.870 20 30 ECEDLO C#CCNC(=O)CC(=O)N(CCN(C)c1cc[nH+]c(C)n1)C(C)C ZINC001125514901 734645657 /nfs/dbraw/zinc/64/56/57/734645657.db2.gz LNAMWPHFIUKJKG-UHFFFAOYSA-N 1 2 331.420 0.598 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3cccn3CC)C2)C1=O ZINC001078185658 782452804 /nfs/dbraw/zinc/45/28/04/782452804.db2.gz IADJYLRXJZDDQS-FVQBIDKESA-N 1 2 346.431 0.070 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cccn3CC)C2)C1=O ZINC001078185658 782452805 /nfs/dbraw/zinc/45/28/05/782452805.db2.gz IADJYLRXJZDDQS-FVQBIDKESA-N 1 2 346.431 0.070 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC000971667179 734932931 /nfs/dbraw/zinc/93/29/31/734932931.db2.gz KOGQRHUNHBHLMD-VXGBXAGGSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC000971667179 734932933 /nfs/dbraw/zinc/93/29/33/734932933.db2.gz KOGQRHUNHBHLMD-VXGBXAGGSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC000971667176 734932937 /nfs/dbraw/zinc/93/29/37/734932937.db2.gz KOGQRHUNHBHLMD-NEPJUHHUSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC000971667176 734932939 /nfs/dbraw/zinc/93/29/39/734932939.db2.gz KOGQRHUNHBHLMD-NEPJUHHUSA-N 1 2 344.253 0.954 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC(=O)N2CCCC2)C1 ZINC000971703364 734964463 /nfs/dbraw/zinc/96/44/63/734964463.db2.gz FPJFIHRHSAFVKY-SJORKVTESA-N 1 2 346.475 0.239 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC(=O)N2CCCC2)C1 ZINC000971703364 734964466 /nfs/dbraw/zinc/96/44/66/734964466.db2.gz FPJFIHRHSAFVKY-SJORKVTESA-N 1 2 346.475 0.239 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)CC(=O)N2CCCC2)C1 ZINC000971703364 734964471 /nfs/dbraw/zinc/96/44/71/734964471.db2.gz FPJFIHRHSAFVKY-SJORKVTESA-N 1 2 346.475 0.239 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2cc(C)ncn2)C1 ZINC000971703946 734965581 /nfs/dbraw/zinc/96/55/81/734965581.db2.gz NGMUVSBUOYWWBK-MSOLQXFVSA-N 1 2 341.459 0.915 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2cc(C)ncn2)C1 ZINC000971703946 734965583 /nfs/dbraw/zinc/96/55/83/734965583.db2.gz NGMUVSBUOYWWBK-MSOLQXFVSA-N 1 2 341.459 0.915 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC000972086734 735626330 /nfs/dbraw/zinc/62/63/30/735626330.db2.gz OPDNPBXDAGVSJE-WDEREUQCSA-N 1 2 345.241 0.451 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC000972086734 735626333 /nfs/dbraw/zinc/62/63/33/735626333.db2.gz OPDNPBXDAGVSJE-WDEREUQCSA-N 1 2 345.241 0.451 20 30 ECEDLO C=C1CCC(C(=O)N2CC[C@@H]([N@@H+](C)Cc3nc(=O)n(C)[nH]3)C2)CC1 ZINC000972234558 735819031 /nfs/dbraw/zinc/81/90/31/735819031.db2.gz HTJWFHKAUCANOY-CQSZACIVSA-N 1 2 333.436 0.888 20 30 ECEDLO C=C1CCC(C(=O)N2CC[C@@H]([N@H+](C)Cc3nc(=O)n(C)[nH]3)C2)CC1 ZINC000972234558 735819035 /nfs/dbraw/zinc/81/90/35/735819035.db2.gz HTJWFHKAUCANOY-CQSZACIVSA-N 1 2 333.436 0.888 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@]2(C1)C[N@H+](CCN1CCCC1=O)CCO2 ZINC000972297929 735907564 /nfs/dbraw/zinc/90/75/64/735907564.db2.gz OAWYSFZKCMXJOW-PBHICJAKSA-N 1 2 334.420 0.072 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@]2(C1)C[N@@H+](CCN1CCCC1=O)CCO2 ZINC000972297929 735907568 /nfs/dbraw/zinc/90/75/68/735907568.db2.gz OAWYSFZKCMXJOW-PBHICJAKSA-N 1 2 334.420 0.072 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3cnn(C)c3C)C2)C1 ZINC000972400056 736126097 /nfs/dbraw/zinc/12/60/97/736126097.db2.gz QJZVRVNNXUVFSE-IBGZPJMESA-N 1 2 344.459 0.988 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3cnn(C)c3C)C2)C1 ZINC000972400056 736126101 /nfs/dbraw/zinc/12/61/01/736126101.db2.gz QJZVRVNNXUVFSE-IBGZPJMESA-N 1 2 344.459 0.988 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC(=O)N(CC)C3)C2)C1 ZINC000972407045 736134543 /nfs/dbraw/zinc/13/45/43/736134543.db2.gz JSUYQWYRQUGDQP-MAUKXSAKSA-N 1 2 333.432 0.181 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC(=O)N(CC)C3)C2)C1 ZINC000972407045 736134545 /nfs/dbraw/zinc/13/45/45/736134545.db2.gz JSUYQWYRQUGDQP-MAUKXSAKSA-N 1 2 333.432 0.181 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCN(C)C3=O)C2)C1 ZINC000972426938 736172863 /nfs/dbraw/zinc/17/28/63/736172863.db2.gz XKLZVHIGEHAVBN-MAUKXSAKSA-N 1 2 333.432 0.181 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCN(C)C3=O)C2)C1 ZINC000972426938 736172865 /nfs/dbraw/zinc/17/28/65/736172865.db2.gz XKLZVHIGEHAVBN-MAUKXSAKSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CCC(C(N)=O)CC3)C2)C1 ZINC000972443288 736208455 /nfs/dbraw/zinc/20/84/55/736208455.db2.gz FMLCTMFBIALVOA-JMLCCBQJSA-N 1 2 333.432 0.215 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CCC(C(N)=O)CC3)C2)C1 ZINC000972443288 736208458 /nfs/dbraw/zinc/20/84/58/736208458.db2.gz FMLCTMFBIALVOA-JMLCCBQJSA-N 1 2 333.432 0.215 20 30 ECEDLO C=CCCC(=O)NCC1(O)CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001041972559 782519709 /nfs/dbraw/zinc/51/97/09/782519709.db2.gz BTFAKUUIHQCDKR-UHFFFAOYSA-N 1 2 328.372 0.832 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3nc(C)cc3C)C2)C1 ZINC000972459009 736253411 /nfs/dbraw/zinc/25/34/11/736253411.db2.gz PSDIRQSZLZGMQZ-GOSISDBHSA-N 1 2 330.432 0.827 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3nc(C)cc3C)C2)C1 ZINC000972459009 736253412 /nfs/dbraw/zinc/25/34/12/736253412.db2.gz PSDIRQSZLZGMQZ-GOSISDBHSA-N 1 2 330.432 0.827 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 ZINC000972461174 736256831 /nfs/dbraw/zinc/25/68/31/736256831.db2.gz ONZBUKPQBRGXFQ-SFHVURJKSA-N 1 2 344.415 0.606 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 ZINC000972461174 736256832 /nfs/dbraw/zinc/25/68/32/736256832.db2.gz ONZBUKPQBRGXFQ-SFHVURJKSA-N 1 2 344.415 0.606 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3cc(C)n(C)n3)C2)nn1 ZINC000972499762 736416731 /nfs/dbraw/zinc/41/67/31/736416731.db2.gz GAGDIUMMYJLCBJ-OAHLLOKOSA-N 1 2 343.435 0.853 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([N@H+](C)Cc3cc(C)n(C)n3)C2)nn1 ZINC000972499762 736416734 /nfs/dbraw/zinc/41/67/34/736416734.db2.gz GAGDIUMMYJLCBJ-OAHLLOKOSA-N 1 2 343.435 0.853 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3ccc(C)cc3=O)C2)C1 ZINC000972584044 736955511 /nfs/dbraw/zinc/95/55/11/736955511.db2.gz YZDIEXYIRSCWIM-LJQANCHMSA-N 1 2 343.427 0.483 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3ccc(C)cc3=O)C2)C1 ZINC000972584044 736955515 /nfs/dbraw/zinc/95/55/15/736955515.db2.gz YZDIEXYIRSCWIM-LJQANCHMSA-N 1 2 343.427 0.483 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)s3)C2)C1 ZINC000972596717 737034325 /nfs/dbraw/zinc/03/43/25/737034325.db2.gz NPULCCVVRATEIH-MRXNPFEDSA-N 1 2 335.429 0.950 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)s3)C2)C1 ZINC000972596717 737034326 /nfs/dbraw/zinc/03/43/26/737034326.db2.gz NPULCCVVRATEIH-MRXNPFEDSA-N 1 2 335.429 0.950 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cnn(C)n3)C2)nn1 ZINC001023637805 737124112 /nfs/dbraw/zinc/12/41/12/737124112.db2.gz SHXWPUQHSMTMSJ-ZDUSSCGKSA-N 1 2 344.423 0.235 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cnn(C)n3)C2)nn1 ZINC001023637805 737124117 /nfs/dbraw/zinc/12/41/17/737124117.db2.gz SHXWPUQHSMTMSJ-ZDUSSCGKSA-N 1 2 344.423 0.235 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3nncn3C)C2)nn1 ZINC001023637974 737125368 /nfs/dbraw/zinc/12/53/68/737125368.db2.gz VNYMRGPUCYVFLB-ZDUSSCGKSA-N 1 2 344.423 0.235 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3nncn3C)C2)nn1 ZINC001023637974 737125370 /nfs/dbraw/zinc/12/53/70/737125370.db2.gz VNYMRGPUCYVFLB-ZDUSSCGKSA-N 1 2 344.423 0.235 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)C2)C1 ZINC000972628693 737154449 /nfs/dbraw/zinc/15/44/49/737154449.db2.gz UFQWBVCHPQJEEH-VQIMIIECSA-N 1 2 347.459 0.572 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)C2)C1 ZINC000972628693 737154450 /nfs/dbraw/zinc/15/44/50/737154450.db2.gz UFQWBVCHPQJEEH-VQIMIIECSA-N 1 2 347.459 0.572 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](CNC(=O)c3nc[nH]n3)C2)C1=O ZINC001023655589 737155111 /nfs/dbraw/zinc/15/51/11/737155111.db2.gz KXFDSQOOEYHYLI-CHWSQXEVSA-N 1 2 332.408 0.033 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)c3nc[nH]n3)C2)C1=O ZINC001023655589 737155112 /nfs/dbraw/zinc/15/51/12/737155112.db2.gz KXFDSQOOEYHYLI-CHWSQXEVSA-N 1 2 332.408 0.033 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)N3CCCC3=O)C2)C1 ZINC000972633485 737178716 /nfs/dbraw/zinc/17/87/16/737178716.db2.gz FQSFGMFRFDQWOF-LPHOPBHVSA-N 1 2 347.459 0.714 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)N3CCCC3=O)C2)C1 ZINC000972633485 737178721 /nfs/dbraw/zinc/17/87/21/737178721.db2.gz FQSFGMFRFDQWOF-LPHOPBHVSA-N 1 2 347.459 0.714 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4[nH]nnc4C3)C2)C1 ZINC000972639053 737202393 /nfs/dbraw/zinc/20/23/93/737202393.db2.gz OZFCOQUFHFUIOZ-KDOFPFPSSA-N 1 2 345.447 0.789 20 30 ECEDLO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4[nH]nnc4C3)C2)C1 ZINC000972639053 737202394 /nfs/dbraw/zinc/20/23/94/737202394.db2.gz OZFCOQUFHFUIOZ-KDOFPFPSSA-N 1 2 345.447 0.789 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nn[nH]c4C3)C2)C1 ZINC000972639053 737202398 /nfs/dbraw/zinc/20/23/98/737202398.db2.gz OZFCOQUFHFUIOZ-KDOFPFPSSA-N 1 2 345.447 0.789 20 30 ECEDLO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nn[nH]c4C3)C2)C1 ZINC000972639053 737202401 /nfs/dbraw/zinc/20/24/01/737202401.db2.gz OZFCOQUFHFUIOZ-KDOFPFPSSA-N 1 2 345.447 0.789 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cnn(C)n3)C2)cn1 ZINC001023711223 737219712 /nfs/dbraw/zinc/21/97/12/737219712.db2.gz XPSDUUOEHDDVBX-AWEZNQCLSA-N 1 2 338.415 0.833 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cnn(C)n3)C2)cn1 ZINC001023711223 737219714 /nfs/dbraw/zinc/21/97/14/737219714.db2.gz XPSDUUOEHDDVBX-AWEZNQCLSA-N 1 2 338.415 0.833 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)C2)C1 ZINC000972655487 737265617 /nfs/dbraw/zinc/26/56/17/737265617.db2.gz LCOPCCKUYYKRIT-SJLPKXTDSA-N 1 2 333.432 0.181 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)C2)C1 ZINC000972655487 737265618 /nfs/dbraw/zinc/26/56/18/737265618.db2.gz LCOPCCKUYYKRIT-SJLPKXTDSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(NC(N)=O)c3)C2)C1 ZINC000972669410 737315843 /nfs/dbraw/zinc/31/58/43/737315843.db2.gz MCEDTVPLGYITKF-SFHVURJKSA-N 1 2 342.399 0.727 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(NC(N)=O)c3)C2)C1 ZINC000972669410 737315844 /nfs/dbraw/zinc/31/58/44/737315844.db2.gz MCEDTVPLGYITKF-SFHVURJKSA-N 1 2 342.399 0.727 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC)N3CCCC3=O)C2)C1 ZINC000972673912 737341425 /nfs/dbraw/zinc/34/14/25/737341425.db2.gz LVBWDSSRLNFIIO-QAPCUYQASA-N 1 2 333.432 0.324 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC)N3CCCC3=O)C2)C1 ZINC000972673912 737341429 /nfs/dbraw/zinc/34/14/29/737341429.db2.gz LVBWDSSRLNFIIO-QAPCUYQASA-N 1 2 333.432 0.324 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3cnn(C)c3)C2)C1 ZINC000972701597 737471668 /nfs/dbraw/zinc/47/16/68/737471668.db2.gz DFYWLTRLEXPEBL-CRAIPNDOSA-N 1 2 330.432 0.850 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)c3cnn(C)c3)C2)C1 ZINC000972701597 737471669 /nfs/dbraw/zinc/47/16/69/737471669.db2.gz DFYWLTRLEXPEBL-CRAIPNDOSA-N 1 2 330.432 0.850 20 30 ECEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC000972721233 737547584 /nfs/dbraw/zinc/54/75/84/737547584.db2.gz OWCXFYKJYRUUSL-SECBINFHSA-N 1 2 342.783 0.795 20 30 ECEDLO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC000972721233 737547588 /nfs/dbraw/zinc/54/75/88/737547588.db2.gz OWCXFYKJYRUUSL-SECBINFHSA-N 1 2 342.783 0.795 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccc3n[nH]cc32)[C@@H](n2ccnn2)C1 ZINC001069993905 790288985 /nfs/dbraw/zinc/28/89/85/790288985.db2.gz UNJPEYXYVSGEDL-SJORKVTESA-N 1 2 349.398 0.833 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cccc3n[nH]cc32)[C@@H](n2ccnn2)C1 ZINC001069993905 790288991 /nfs/dbraw/zinc/28/89/91/790288991.db2.gz UNJPEYXYVSGEDL-SJORKVTESA-N 1 2 349.398 0.833 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(F)=C(C)C)C[C@H]1O ZINC001024356880 737919484 /nfs/dbraw/zinc/91/94/84/737919484.db2.gz GTHCKCIGVVKLPG-HZSPNIEDSA-N 1 2 337.395 0.035 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(F)=C(C)C)C[C@H]1O ZINC001024356880 737919486 /nfs/dbraw/zinc/91/94/86/737919486.db2.gz GTHCKCIGVVKLPG-HZSPNIEDSA-N 1 2 337.395 0.035 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001024414931 737949660 /nfs/dbraw/zinc/94/96/60/737949660.db2.gz VCWNFMRITIAAQC-VXGBXAGGSA-N 1 2 340.811 0.350 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)[C@@H](C)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001104682776 739478727 /nfs/dbraw/zinc/47/87/27/739478727.db2.gz CDWHXTLSYFAWNL-KBPBESRZSA-N 1 2 345.447 0.762 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)[C@@H](C)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001104682776 739478730 /nfs/dbraw/zinc/47/87/30/739478730.db2.gz CDWHXTLSYFAWNL-KBPBESRZSA-N 1 2 345.447 0.762 20 30 ECEDLO C[C@@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001104729856 739556763 /nfs/dbraw/zinc/55/67/63/739556763.db2.gz NCLKJJJHBMOYCP-QWHCGFSZSA-N 1 2 339.403 0.488 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(C)nn(C)c3n2)C1 ZINC001078233140 782532003 /nfs/dbraw/zinc/53/20/03/782532003.db2.gz KGTYIFSXDLKWCH-HUUCEWRRSA-N 1 2 327.388 0.075 20 30 ECEDLO N#Cc1ccc(N2CCC3(C[C@H]3NC(=O)Cc3[nH]cc[nH+]3)CC2)nn1 ZINC001058639772 739653826 /nfs/dbraw/zinc/65/38/26/739653826.db2.gz QZQYRHCUZIOCBK-CYBMUJFWSA-N 1 2 337.387 0.789 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(C)nn(C)c3n2)C1 ZINC001078233140 782531996 /nfs/dbraw/zinc/53/19/96/782531996.db2.gz KGTYIFSXDLKWCH-HUUCEWRRSA-N 1 2 327.388 0.075 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2O)CC1 ZINC001025491036 739657148 /nfs/dbraw/zinc/65/71/48/739657148.db2.gz MVTIEWHYVQVIIH-HUUCEWRRSA-N 1 2 332.404 0.317 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(c3)[nH]c(=O)n4C)[C@H]2C1 ZINC001083285399 739840623 /nfs/dbraw/zinc/84/06/23/739840623.db2.gz PNBWJJLLMKWCQV-JKSUJKDBSA-N 1 2 340.383 0.437 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(c3)[nH]c(=O)n4C)[C@H]2C1 ZINC001083285399 739840629 /nfs/dbraw/zinc/84/06/29/739840629.db2.gz PNBWJJLLMKWCQV-JKSUJKDBSA-N 1 2 340.383 0.437 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H](C)C2CN(C(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC001006530425 751485250 /nfs/dbraw/zinc/48/52/50/751485250.db2.gz RFUZDUGWDNIZLH-GFCCVEGCSA-N 1 2 337.383 0.605 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(NC(C)=O)ccc3F)[C@H]2C1 ZINC001083289140 740316128 /nfs/dbraw/zinc/31/61/28/740316128.db2.gz TVFAAWXWGWASIE-DLBZAZTESA-N 1 2 345.374 0.943 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(NC(C)=O)ccc3F)[C@H]2C1 ZINC001083289140 740316130 /nfs/dbraw/zinc/31/61/30/740316130.db2.gz TVFAAWXWGWASIE-DLBZAZTESA-N 1 2 345.374 0.943 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3nnc(C)[nH]3)C[C@H]21 ZINC001026056788 740344005 /nfs/dbraw/zinc/34/40/05/740344005.db2.gz CBSFUMKRVYBGMA-LKAWMXSOSA-N 1 2 331.420 0.812 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3nnc(C)[nH]3)C[C@H]21 ZINC001026056788 740344007 /nfs/dbraw/zinc/34/40/07/740344007.db2.gz CBSFUMKRVYBGMA-LKAWMXSOSA-N 1 2 331.420 0.812 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3C(=O)Nc4ccccc43)[C@H]2C1 ZINC001083290414 740381582 /nfs/dbraw/zinc/38/15/82/740381582.db2.gz YKPAZPADXFLLMO-BHYGNILZSA-N 1 2 339.395 0.657 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3C(=O)Nc4ccccc43)[C@H]2C1 ZINC001083290414 740381584 /nfs/dbraw/zinc/38/15/84/740381584.db2.gz YKPAZPADXFLLMO-BHYGNILZSA-N 1 2 339.395 0.657 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3snnc3C)C2)nn1 ZINC001098607918 740534361 /nfs/dbraw/zinc/53/43/61/740534361.db2.gz IWYQRCVEIBMEPW-CYBMUJFWSA-N 1 2 345.432 0.638 20 30 ECEDLO C[C@@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001104802396 740539513 /nfs/dbraw/zinc/53/95/13/740539513.db2.gz VADBNAZXHFSOKH-NWDGAFQWSA-N 1 2 339.403 0.872 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(C)C)C2)nn1 ZINC001098615242 741063082 /nfs/dbraw/zinc/06/30/82/741063082.db2.gz NNMQULCRBSXCPB-UKRRQHHQSA-N 1 2 348.451 0.488 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)/C(C)=C/C)C2)nn1 ZINC001105207105 741473666 /nfs/dbraw/zinc/47/36/66/741473666.db2.gz FMMXIAAFQQDWIT-XEVNVYFWSA-N 1 2 346.435 0.408 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)CC[C@@H](C)OC)C2)nn1 ZINC001105215753 741487232 /nfs/dbraw/zinc/48/72/32/741487232.db2.gz IBCCRMAPQHMTNA-CQSZACIVSA-N 1 2 349.435 0.216 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCO[C@H]3C)C2)nn1 ZINC001105225513 741507131 /nfs/dbraw/zinc/50/71/31/741507131.db2.gz WEVBRUFMDIQZPQ-XJKSGUPXSA-N 1 2 331.420 0.589 20 30 ECEDLO CC(C)C#CC(=O)N1CC(n2cc(CNCc3c[nH+]cn3C)nn2)C1 ZINC001105238102 741525037 /nfs/dbraw/zinc/52/50/37/741525037.db2.gz KATQDROCYNJQJE-UHFFFAOYSA-N 1 2 341.419 0.344 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(OC)ns3)C2)nn1 ZINC001105242941 741543514 /nfs/dbraw/zinc/54/35/14/741543514.db2.gz OFTBARAOSKFZMV-UHFFFAOYSA-N 1 2 332.389 0.163 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C3(CCOCC)CCC3)C2)nn1 ZINC001105243112 741543937 /nfs/dbraw/zinc/54/39/37/741543937.db2.gz VTKHZOZAIIKCPK-UHFFFAOYSA-N 1 2 345.447 0.981 20 30 ECEDLO C=C(C)CCC(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105252017 741561416 /nfs/dbraw/zinc/56/14/16/741561416.db2.gz DKDLDTOASQSDKW-UHFFFAOYSA-N 1 2 331.420 0.757 20 30 ECEDLO C=C(C)CCC(=O)N1CC(n2cc(C[NH2+][C@H]3CCCNC3=O)nn2)C1 ZINC001105252580 741562429 /nfs/dbraw/zinc/56/24/29/741562429.db2.gz YEZNFSPXUBURIA-HNNXBMFYSA-N 1 2 346.435 0.386 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H](OCC)C(=C)C)C2)nn1 ZINC001105254090 741564932 /nfs/dbraw/zinc/56/49/32/741564932.db2.gz NDLLLYVGGQRBHF-INIZCTEOSA-N 1 2 331.420 0.756 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cncc(COC)c3)C2)nn1 ZINC001105262055 741587517 /nfs/dbraw/zinc/58/75/17/741587517.db2.gz COISHAKFLBNFEU-UHFFFAOYSA-N 1 2 340.387 0.239 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[C@@H]3OC)C2)nn1 ZINC001105271088 741615752 /nfs/dbraw/zinc/61/57/52/741615752.db2.gz WBDDFVOEFZJUPJ-CVEARBPZSA-N 1 2 331.420 0.589 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]nc3CC)C2)nn1 ZINC001105275321 741621404 /nfs/dbraw/zinc/62/14/04/741621404.db2.gz LSOXNSGSGQIEPM-UHFFFAOYSA-N 1 2 327.392 0.374 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)c2[nH]c(=O)[nH]c2C)C1=O ZINC001038374078 741625449 /nfs/dbraw/zinc/62/54/49/741625449.db2.gz MSLGEYOSUNVRIE-NWDGAFQWSA-N 1 2 333.392 0.015 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)c2[nH]c(=O)[nH]c2C)C1=O ZINC001038374078 741625451 /nfs/dbraw/zinc/62/54/51/741625451.db2.gz MSLGEYOSUNVRIE-NWDGAFQWSA-N 1 2 333.392 0.015 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CC(C)(C)CO3)C2)nn1 ZINC001105280963 741636695 /nfs/dbraw/zinc/63/66/95/741636695.db2.gz MYVYHPBOWWQRDY-HNNXBMFYSA-N 1 2 331.420 0.589 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C3(C4CC4)CCOCC3)C2)nn1 ZINC001105292136 741655593 /nfs/dbraw/zinc/65/55/93/741655593.db2.gz APHGHZWMPROEFP-UHFFFAOYSA-N 1 2 343.431 0.591 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccc4[nH]ncc43)C2)nn1 ZINC001105296944 741674224 /nfs/dbraw/zinc/67/42/24/741674224.db2.gz CYIWYJOITOWIRQ-UHFFFAOYSA-N 1 2 349.398 0.964 20 30 ECEDLO CC#CCCCC(=O)N1CC(n2cc(C[NH2+]CC(=O)NCC)nn2)C1 ZINC001105307890 741709381 /nfs/dbraw/zinc/70/93/81/741709381.db2.gz CQVNLJJXCUKPAP-UHFFFAOYSA-N 1 2 346.435 0.081 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(=O)NC)nn2)C1 ZINC001105310242 741715496 /nfs/dbraw/zinc/71/54/96/741715496.db2.gz VBRIOGQWYJXORM-OLZOCXBDSA-N 1 2 348.451 0.488 20 30 ECEDLO CC(C)(C)[C@@H](CNc1ccnc(C#N)n1)NC(=O)Cn1cc[nH+]c1 ZINC001125943212 741723333 /nfs/dbraw/zinc/72/33/33/741723333.db2.gz WWXJVEIXZHXAOY-GFCCVEGCSA-N 1 2 327.392 0.610 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H](C[NH2+]Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001026733096 741736243 /nfs/dbraw/zinc/73/62/43/741736243.db2.gz RKEOEPZZDFKLPH-NWDGAFQWSA-N 1 2 328.376 0.120 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CC3=CCOCC3)C2)nn1 ZINC001105322630 741782230 /nfs/dbraw/zinc/78/22/30/741782230.db2.gz XUYKWQLUDGCZGP-UHFFFAOYSA-N 1 2 329.404 0.511 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccn(C(C)C)n3)C2)nn1 ZINC001105336919 742433452 /nfs/dbraw/zinc/43/34/52/742433452.db2.gz NQXOMDWGBGSJBV-UHFFFAOYSA-N 1 2 341.419 0.866 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C(C)C)no3)C2)nn1 ZINC001105337234 742452212 /nfs/dbraw/zinc/45/22/12/742452212.db2.gz XAFXSDTVLDSUSZ-UHFFFAOYSA-N 1 2 328.376 0.809 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@]2(C)C[N@H+](CC(=O)Nc3ccon3)C[C@]2(C)C1 ZINC000982232834 751738023 /nfs/dbraw/zinc/73/80/23/751738023.db2.gz DXEXITRQVIBMEL-AFAVFJNCSA-N 1 2 345.403 0.943 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@]2(C)C[N@@H+](CC(=O)Nc3ccon3)C[C@]2(C)C1 ZINC000982232834 751738027 /nfs/dbraw/zinc/73/80/27/751738027.db2.gz DXEXITRQVIBMEL-AFAVFJNCSA-N 1 2 345.403 0.943 20 30 ECEDLO COCCN(CCNC(=O)CCn1cc[nH+]c1)c1nccnc1C#N ZINC001126451142 742851334 /nfs/dbraw/zinc/85/13/34/742851334.db2.gz PFRNNASNKCNAPV-UHFFFAOYSA-N 1 2 343.391 0.204 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](Cc3ncnn3CC)C2)cn1 ZINC001028940002 742933293 /nfs/dbraw/zinc/93/32/93/742933293.db2.gz WOXVEOGTMCJMPT-CQSZACIVSA-N 1 2 338.415 0.926 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](Cc3ncnn3CC)C2)cn1 ZINC001028940002 742933301 /nfs/dbraw/zinc/93/33/01/742933301.db2.gz WOXVEOGTMCJMPT-CQSZACIVSA-N 1 2 338.415 0.926 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000975554813 743068175 /nfs/dbraw/zinc/06/81/75/743068175.db2.gz LQOBQVKITVJQAJ-XHSDSOJGSA-N 1 2 346.431 0.829 20 30 ECEDLO N#Cc1cc(C(=O)NCC[NH2+]Cc2nnc([C@@H]3CCCOC3)o2)c[nH]1 ZINC001125994632 743121827 /nfs/dbraw/zinc/12/18/27/743121827.db2.gz HJHQONQZHOSBJZ-LLVKDONJSA-N 1 2 344.375 0.683 20 30 ECEDLO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1nc(-c2cccs2)no1 ZINC001125997876 743154069 /nfs/dbraw/zinc/15/40/69/743154069.db2.gz DRSLMLMODUFCLK-UHFFFAOYSA-N 1 2 347.400 0.143 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]21 ZINC000975766338 743294335 /nfs/dbraw/zinc/29/43/35/743294335.db2.gz XWDOFDMVAXNUCQ-IPYPFGDCSA-N 1 2 329.404 0.951 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]21 ZINC000975766338 743294341 /nfs/dbraw/zinc/29/43/41/743294341.db2.gz XWDOFDMVAXNUCQ-IPYPFGDCSA-N 1 2 329.404 0.951 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CN(C)c3ccccc3)C2)nn1 ZINC001105380990 743439079 /nfs/dbraw/zinc/43/90/79/743439079.db2.gz KZOCZZBVMGAALW-UHFFFAOYSA-N 1 2 338.415 0.521 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@H]32)[nH]1 ZINC000976383531 743882065 /nfs/dbraw/zinc/88/20/65/743882065.db2.gz SFJXDCQCYOQYHK-ATCWAGBWSA-N 1 2 338.371 0.429 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001027411217 744219905 /nfs/dbraw/zinc/21/99/05/744219905.db2.gz BNTJCNPBJXXSOJ-NSHDSACASA-N 1 2 343.229 0.505 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001027411217 744219909 /nfs/dbraw/zinc/21/99/09/744219909.db2.gz BNTJCNPBJXXSOJ-NSHDSACASA-N 1 2 343.229 0.505 20 30 ECEDLO C=C1CC(C)(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2c[nH+]cn2C)C1 ZINC000976871587 744429815 /nfs/dbraw/zinc/42/98/15/744429815.db2.gz QFOAUWXDRPLTDY-FOLVSLTJSA-N 1 2 328.416 0.892 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)cn1 ZINC000976915291 744475104 /nfs/dbraw/zinc/47/51/04/744475104.db2.gz VPXBDKGQWOPYIG-QLPKVWCKSA-N 1 2 335.367 0.146 20 30 ECEDLO C#Cc1cncc(C(=O)NC2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)c1 ZINC000999320870 744625941 /nfs/dbraw/zinc/62/59/41/744625941.db2.gz YOXCORXEFJQZRH-CQSZACIVSA-N 1 2 349.394 0.463 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)c1 ZINC000999359927 744652390 /nfs/dbraw/zinc/65/23/90/744652390.db2.gz YQQFKAWHUAKJKO-OAHLLOKOSA-N 1 2 349.394 0.847 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nnn(C)n2)C1 ZINC000999540778 744748367 /nfs/dbraw/zinc/74/83/67/744748367.db2.gz YXAOTRPWVTWBFR-DVTFPSANSA-N 1 2 334.424 0.270 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C(C)(C)C1 ZINC000977363559 744905185 /nfs/dbraw/zinc/90/51/85/744905185.db2.gz MQBZQHBGSLINJI-CYBMUJFWSA-N 1 2 344.419 0.474 20 30 ECEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C(C)(C)C1 ZINC000977363559 744905188 /nfs/dbraw/zinc/90/51/88/744905188.db2.gz MQBZQHBGSLINJI-CYBMUJFWSA-N 1 2 344.419 0.474 20 30 ECEDLO Cc1nc(N(C)C)nc(N[C@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)[nH+]1 ZINC001059182293 745002099 /nfs/dbraw/zinc/00/20/99/745002099.db2.gz HNVNEUCDYMFHSY-HAQNSBGRSA-N 1 2 340.391 0.819 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)C(C)(C)C1 ZINC000977449990 745006232 /nfs/dbraw/zinc/00/62/32/745006232.db2.gz OZRHHJUMUBACQD-LLVKDONJSA-N 1 2 342.827 0.507 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)C(C)(C)C1 ZINC000977449990 745006238 /nfs/dbraw/zinc/00/62/38/745006238.db2.gz OZRHHJUMUBACQD-LLVKDONJSA-N 1 2 342.827 0.507 20 30 ECEDLO C[C@H](CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21)Nc1ccnc(C#N)n1 ZINC001098267339 745232184 /nfs/dbraw/zinc/23/21/84/745232184.db2.gz BUHVTENRBCHWPK-MNOVXSKESA-N 1 2 325.376 0.530 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ncccc3OCC)C2)nn1 ZINC001105385285 745265888 /nfs/dbraw/zinc/26/58/88/745265888.db2.gz XACOGGOAJGISDL-UHFFFAOYSA-N 1 2 340.387 0.492 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CCCCO3)[C@@H](O)C2)cc1F ZINC001083410829 745266696 /nfs/dbraw/zinc/26/66/96/745266696.db2.gz WNRZNPCHLIIEOQ-IXDOHACOSA-N 1 2 347.390 0.928 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CCCCO3)[C@@H](O)C2)cc1F ZINC001083410829 745266700 /nfs/dbraw/zinc/26/67/00/745266700.db2.gz WNRZNPCHLIIEOQ-IXDOHACOSA-N 1 2 347.390 0.928 20 30 ECEDLO CC[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)CCC#N)C[C@H]1OC ZINC001211859552 745290037 /nfs/dbraw/zinc/29/00/37/745290037.db2.gz KDCANHUQJPAHAP-RBSFLKMASA-N 1 2 338.452 0.610 20 30 ECEDLO CC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)CCC#N)C[C@H]1OC ZINC001211859552 745290040 /nfs/dbraw/zinc/29/00/40/745290040.db2.gz KDCANHUQJPAHAP-RBSFLKMASA-N 1 2 338.452 0.610 20 30 ECEDLO O=C(Cn1cnnn1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029206619 745322468 /nfs/dbraw/zinc/32/24/68/745322468.db2.gz UIFHODXVMGSGRU-CALCHBBNSA-N 1 2 336.399 0.400 20 30 ECEDLO O=C(Cn1cnnn1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029206619 745322474 /nfs/dbraw/zinc/32/24/74/745322474.db2.gz UIFHODXVMGSGRU-CALCHBBNSA-N 1 2 336.399 0.400 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H](n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001098698538 745325849 /nfs/dbraw/zinc/32/58/49/745325849.db2.gz VXLBUKSSJOMZGN-AAEUAGOBSA-N 1 2 334.424 0.227 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)ncn1 ZINC001083411962 745370936 /nfs/dbraw/zinc/37/09/36/745370936.db2.gz OICSXYWTFDRSGI-SJORKVTESA-N 1 2 337.383 0.632 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)ncn1 ZINC001083411962 745370941 /nfs/dbraw/zinc/37/09/41/745370941.db2.gz OICSXYWTFDRSGI-SJORKVTESA-N 1 2 337.383 0.632 20 30 ECEDLO C=CCn1cc(C(=O)N(C)C[C@@H]2CCN2C(=O)Cc2c[nH+]c[nH]2)nn1 ZINC000977728774 745446638 /nfs/dbraw/zinc/44/66/38/745446638.db2.gz CCKKXIISVCQOOG-ZDUSSCGKSA-N 1 2 343.391 0.103 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000977794854 745511139 /nfs/dbraw/zinc/51/11/39/745511139.db2.gz JSBZMDWYSYAYRV-OAGGEKHMSA-N 1 2 346.431 0.993 20 30 ECEDLO O=C([C@H]1COC(=O)N1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029292908 745576731 /nfs/dbraw/zinc/57/67/31/745576731.db2.gz BJPIYVWJDCANDI-IXDOHACOSA-N 1 2 339.395 0.822 20 30 ECEDLO O=C([C@H]1COC(=O)N1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029292908 745576735 /nfs/dbraw/zinc/57/67/35/745576735.db2.gz BJPIYVWJDCANDI-IXDOHACOSA-N 1 2 339.395 0.822 20 30 ECEDLO Cn1nccc1CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083432748 752045684 /nfs/dbraw/zinc/04/56/84/752045684.db2.gz CATXKUICIFKWKQ-MSOLQXFVSA-N 1 2 338.411 0.176 20 30 ECEDLO Cn1nccc1CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083432748 752045689 /nfs/dbraw/zinc/04/56/89/752045689.db2.gz CATXKUICIFKWKQ-MSOLQXFVSA-N 1 2 338.411 0.176 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001059335479 745988028 /nfs/dbraw/zinc/98/80/28/745988028.db2.gz VSGPLGZHWZDTSE-HNNXBMFYSA-N 1 2 348.447 0.910 20 30 ECEDLO N#Cc1nccc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)n1 ZINC001059339568 746023525 /nfs/dbraw/zinc/02/35/25/746023525.db2.gz YKDLDLHMNSGPKY-JHJVBQTASA-N 1 2 337.387 0.288 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ncnn3C)C[C@H]21 ZINC000978723146 746624146 /nfs/dbraw/zinc/62/41/46/746624146.db2.gz XSWMMDWMEFNVKL-ZSAUSMIDSA-N 1 2 331.420 0.200 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ncnn3C)C[C@H]21 ZINC000978723146 746624149 /nfs/dbraw/zinc/62/41/49/746624149.db2.gz XSWMMDWMEFNVKL-ZSAUSMIDSA-N 1 2 331.420 0.200 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1 ZINC001029466533 746696940 /nfs/dbraw/zinc/69/69/40/746696940.db2.gz DQMTVOBUPCVWCK-IYBDPMFKSA-N 1 2 326.400 0.440 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1 ZINC001029466533 746696942 /nfs/dbraw/zinc/69/69/42/746696942.db2.gz DQMTVOBUPCVWCK-IYBDPMFKSA-N 1 2 326.400 0.440 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(OCC#C)cc3)C2)nn1 ZINC001105340493 746698095 /nfs/dbraw/zinc/69/80/95/746698095.db2.gz BDGRWSLIJSRSGI-UHFFFAOYSA-N 1 2 349.394 0.710 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H](CC)C(N)=O)c1 ZINC001029466647 746698400 /nfs/dbraw/zinc/69/84/00/746698400.db2.gz HSYLVXYAINDDBS-OWCLPIDISA-N 1 2 326.400 0.616 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](CC)C(N)=O)c1 ZINC001029466647 746698402 /nfs/dbraw/zinc/69/84/02/746698402.db2.gz HSYLVXYAINDDBS-OWCLPIDISA-N 1 2 326.400 0.616 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nc(C)no4)C[C@H]32)cn1 ZINC000978980542 746990286 /nfs/dbraw/zinc/99/02/86/746990286.db2.gz AUKBAUFSDWUPER-PHZGNYQRSA-N 1 2 337.383 0.862 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nc(C)no4)C[C@H]32)cn1 ZINC000978980542 746990290 /nfs/dbraw/zinc/99/02/90/746990290.db2.gz AUKBAUFSDWUPER-PHZGNYQRSA-N 1 2 337.383 0.862 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001002409345 747312347 /nfs/dbraw/zinc/31/23/47/747312347.db2.gz NIEKCTKOQRRDEI-XHDPSFHLSA-N 1 2 344.419 0.524 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001002409345 747312354 /nfs/dbraw/zinc/31/23/54/747312354.db2.gz NIEKCTKOQRRDEI-XHDPSFHLSA-N 1 2 344.419 0.524 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)nc1 ZINC001029556808 747482762 /nfs/dbraw/zinc/48/27/62/747482762.db2.gz NCOQEPAPDGSPFU-GASCZTMLSA-N 1 2 326.400 0.440 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)nc1 ZINC001029556808 747482765 /nfs/dbraw/zinc/48/27/65/747482765.db2.gz NCOQEPAPDGSPFU-GASCZTMLSA-N 1 2 326.400 0.440 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H](C)C(=O)N(C)C)nc1 ZINC001029558059 747492555 /nfs/dbraw/zinc/49/25/55/747492555.db2.gz CTLQIILOOCTSTG-BMFZPTHFSA-N 1 2 340.427 0.828 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)C(=O)N(C)C)nc1 ZINC001029558059 747492560 /nfs/dbraw/zinc/49/25/60/747492560.db2.gz CTLQIILOOCTSTG-BMFZPTHFSA-N 1 2 340.427 0.828 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](NC(=O)C2=CCOCC2)[C@@H](O)C1 ZINC001083422493 747498657 /nfs/dbraw/zinc/49/86/57/747498657.db2.gz ABJMDMHSEUYJQY-SJORKVTESA-N 1 2 327.384 0.566 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)C2=CCOCC2)[C@@H](O)C1 ZINC001083422493 747498664 /nfs/dbraw/zinc/49/86/64/747498664.db2.gz ABJMDMHSEUYJQY-SJORKVTESA-N 1 2 327.384 0.566 20 30 ECEDLO Cc1nnc(C[NH2+][C@H](C)[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)o1 ZINC000979292645 747527001 /nfs/dbraw/zinc/52/70/01/747527001.db2.gz LZUUIYNHOVLWQA-QMTHXVAHSA-N 1 2 344.375 0.597 20 30 ECEDLO C[C@@H]([NH2+]Cc1cnsn1)[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979294317 747556170 /nfs/dbraw/zinc/55/61/70/747556170.db2.gz OMWKAKPPZAKIRY-YGRLFVJLSA-N 1 2 346.416 0.757 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)c3c(C)noc3C)C2)nn1 ZINC001105342595 747588904 /nfs/dbraw/zinc/58/89/04/747588904.db2.gz MHRWNFBKYKSTHL-LLVKDONJSA-N 1 2 342.403 0.793 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@@H](n3cc(C[NH2+]CCF)nn3)C2)c1 ZINC001098722215 747649323 /nfs/dbraw/zinc/64/93/23/747649323.db2.gz MANTTWOFKQJLAL-MRXNPFEDSA-N 1 2 342.378 0.801 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccn(C)c3C)C2)nn1 ZINC001098722892 747691720 /nfs/dbraw/zinc/69/17/20/747691720.db2.gz QSTJEKYGHNQTMH-OAHLLOKOSA-N 1 2 326.404 0.735 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)Cc3n[nH]c(C)n3)CC2)C1=O ZINC001002774744 747765747 /nfs/dbraw/zinc/76/57/47/747765747.db2.gz JGXJNQRKIHCOTF-CQSZACIVSA-N 1 2 346.435 0.023 20 30 ECEDLO O=C(C#CC1CC1)N1CC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001002781101 747776083 /nfs/dbraw/zinc/77/60/83/747776083.db2.gz JIYQJCLCMPUKFT-OAHLLOKOSA-N 1 2 326.400 0.434 20 30 ECEDLO O=C(C#CC1CC1)N1CC(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001002782287 747778999 /nfs/dbraw/zinc/77/89/99/747778999.db2.gz PZIPGCWFEVDNEH-HNNXBMFYSA-N 1 2 326.400 0.434 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2nnnn2C)C1 ZINC001029739298 748196060 /nfs/dbraw/zinc/19/60/60/748196060.db2.gz LFQXKSLOPGPOQL-ZNMIVQPWSA-N 1 2 348.451 0.472 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2nnnn2C)C1 ZINC001029739298 748196063 /nfs/dbraw/zinc/19/60/63/748196063.db2.gz LFQXKSLOPGPOQL-ZNMIVQPWSA-N 1 2 348.451 0.472 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001059554217 748303905 /nfs/dbraw/zinc/30/39/05/748303905.db2.gz DAEQTFPTHDSBPD-RDTXWAMCSA-N 1 2 348.447 0.943 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)c2ncccc2O)C1=O ZINC001027844480 748552568 /nfs/dbraw/zinc/55/25/68/748552568.db2.gz SJPUDXXDGAHBGV-UONOGXRCSA-N 1 2 344.415 0.768 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)c2ncccc2O)C1=O ZINC001027844480 748552572 /nfs/dbraw/zinc/55/25/72/748552572.db2.gz SJPUDXXDGAHBGV-UONOGXRCSA-N 1 2 344.415 0.768 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1OC ZINC001211992090 752295277 /nfs/dbraw/zinc/29/52/77/752295277.db2.gz CGFXLECXYOYHAZ-NUEKZKHPSA-N 1 2 336.436 0.717 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1OC ZINC001211992090 752295279 /nfs/dbraw/zinc/29/52/79/752295279.db2.gz CGFXLECXYOYHAZ-NUEKZKHPSA-N 1 2 336.436 0.717 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)c3nccs3)C2)nn1 ZINC001105345544 748963427 /nfs/dbraw/zinc/96/34/27/748963427.db2.gz GGVIBXXQCHVTPL-UHFFFAOYSA-N 1 2 346.416 0.171 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001059647899 749108882 /nfs/dbraw/zinc/10/88/82/749108882.db2.gz JCAUWGICDFKJFP-OAHLLOKOSA-N 1 2 332.404 0.278 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCS(C)(=O)=O ZINC001027890021 749152714 /nfs/dbraw/zinc/15/27/14/749152714.db2.gz MSNBYSXZOQBNPN-KFWWJZLASA-N 1 2 344.477 0.593 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCS(C)(=O)=O ZINC001027890021 749152718 /nfs/dbraw/zinc/15/27/18/749152718.db2.gz MSNBYSXZOQBNPN-KFWWJZLASA-N 1 2 344.477 0.593 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccccn3)CC2)CC1 ZINC000985822198 749170222 /nfs/dbraw/zinc/17/02/22/749170222.db2.gz HCXADHTZBWVUIP-UHFFFAOYSA-N 1 2 343.431 0.763 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000985823748 749180284 /nfs/dbraw/zinc/18/02/84/749180284.db2.gz WWFOMQCRSIWCSI-HNNXBMFYSA-N 1 2 336.436 0.233 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)CC1 ZINC000985825291 749181401 /nfs/dbraw/zinc/18/14/01/749181401.db2.gz MIBBHJQPXNZILG-UHFFFAOYSA-N 1 2 331.420 0.696 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC001013931336 761930785 /nfs/dbraw/zinc/93/07/85/761930785.db2.gz BUMNWPVEPOEJKS-GXTWGEPZSA-N 1 2 337.383 0.748 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001004542798 749607039 /nfs/dbraw/zinc/60/70/39/749607039.db2.gz XNFANYDBNOWRDJ-BMFZPTHFSA-N 1 2 346.431 1.000 20 30 ECEDLO CN1CC(=O)N(CC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)C1=O ZINC001004621763 749699208 /nfs/dbraw/zinc/69/92/08/749699208.db2.gz JXGKYELVYSALFL-AWEZNQCLSA-N 1 2 347.419 0.107 20 30 ECEDLO CN1CC(=O)N(CC(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)C1=O ZINC001004621763 749699209 /nfs/dbraw/zinc/69/92/09/749699209.db2.gz JXGKYELVYSALFL-AWEZNQCLSA-N 1 2 347.419 0.107 20 30 ECEDLO C[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1)N1CCOCC1 ZINC001004636321 749716081 /nfs/dbraw/zinc/71/60/81/749716081.db2.gz SNOLTFYQXCCGDB-DOTOQJQBSA-N 1 2 334.464 0.934 20 30 ECEDLO C[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1)N1CCOCC1 ZINC001004636321 749716083 /nfs/dbraw/zinc/71/60/83/749716083.db2.gz SNOLTFYQXCCGDB-DOTOQJQBSA-N 1 2 334.464 0.934 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cc[nH+]c2)cn1 ZINC001004740627 749803986 /nfs/dbraw/zinc/80/39/86/749803986.db2.gz RNAFVKVQROJHPP-ZACQAIPSSA-N 1 2 349.394 0.821 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CC3CCCC3)[C@@H](O)C2)C1=O ZINC001083318380 749852104 /nfs/dbraw/zinc/85/21/04/749852104.db2.gz PIKDKXGOZWWSKJ-OAGGEKHMSA-N 1 2 335.448 0.515 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CC3CCCC3)[C@@H](O)C2)C1=O ZINC001083318380 749852110 /nfs/dbraw/zinc/85/21/10/749852110.db2.gz PIKDKXGOZWWSKJ-OAGGEKHMSA-N 1 2 335.448 0.515 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)CC[C@@H]2C1 ZINC000986467130 749934439 /nfs/dbraw/zinc/93/44/39/749934439.db2.gz XPFLKDZPGAQKJI-CVEARBPZSA-N 1 2 340.427 0.981 20 30 ECEDLO CN(CCN(C)c1ncccc1C#N)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001105434252 750079568 /nfs/dbraw/zinc/07/95/68/750079568.db2.gz NOFPRZQXFXOYNK-UHFFFAOYSA-N 1 2 345.447 0.959 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3cc(C)n(C)n3)CC2)C1=O ZINC000980787768 750163968 /nfs/dbraw/zinc/16/39/68/750163968.db2.gz MCSVWTROCPKWOQ-INIZCTEOSA-N 1 2 345.447 0.663 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3cc(C)n(C)n3)CC2)C1=O ZINC000980787768 750163973 /nfs/dbraw/zinc/16/39/73/750163973.db2.gz MCSVWTROCPKWOQ-INIZCTEOSA-N 1 2 345.447 0.663 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[N@H+](CC(=O)N2CCOC[C@@H]2C2CC2)CC1 ZINC000980848860 750258673 /nfs/dbraw/zinc/25/86/73/750258673.db2.gz CIGPWMVGZGJYFM-GOEBONIOSA-N 1 2 348.447 0.318 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[N@@H+](CC(=O)N2CCOC[C@@H]2C2CC2)CC1 ZINC000980848860 750258677 /nfs/dbraw/zinc/25/86/77/750258677.db2.gz CIGPWMVGZGJYFM-GOEBONIOSA-N 1 2 348.447 0.318 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[N@H+](CC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000980850105 750259941 /nfs/dbraw/zinc/25/99/41/750259941.db2.gz QHFHHENNCRPIDX-UONOGXRCSA-N 1 2 327.450 0.505 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000980850105 750259945 /nfs/dbraw/zinc/25/99/45/750259945.db2.gz QHFHHENNCRPIDX-UONOGXRCSA-N 1 2 327.450 0.505 20 30 ECEDLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000980978714 750415937 /nfs/dbraw/zinc/41/59/37/750415937.db2.gz 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/nfs/dbraw/zinc/21/74/80/751217480.db2.gz ONDKFUSOQPEYCN-UHFFFAOYSA-N 1 2 344.390 0.997 20 30 ECEDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 ZINC000337180083 751315370 /nfs/dbraw/zinc/31/53/70/751315370.db2.gz LYPVVJYEOLWAMW-CHWSQXEVSA-N 1 2 339.421 0.069 20 30 ECEDLO COCCN(CCNC(=O)Cn1cc[nH+]c1)c1ccc(C#N)cn1 ZINC001126360899 752440459 /nfs/dbraw/zinc/44/04/59/752440459.db2.gz QDIWNGGTRJVNMY-UHFFFAOYSA-N 1 2 328.376 0.419 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccc(OC)cc3)C2)nn1 ZINC001105366243 752462260 /nfs/dbraw/zinc/46/22/60/752462260.db2.gz DMVLMYLTWYRBKU-UHFFFAOYSA-N 1 2 339.399 0.636 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000988772896 752735563 /nfs/dbraw/zinc/73/55/63/752735563.db2.gz UIOGLLUFXUDTRZ-YPMHNXCESA-N 1 2 326.360 0.502 20 30 ECEDLO N#Cc1cnc(N[C@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)cn1 ZINC001058995764 752811495 /nfs/dbraw/zinc/81/14/95/752811495.db2.gz WSXHNWXRSVOBHW-STQMWFEESA-N 1 2 337.387 0.820 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3nn(C)cc3Cl)C2)nn1 ZINC001098679218 752896622 /nfs/dbraw/zinc/89/66/22/752896622.db2.gz VOTDIFBTPLLEFF-GFCCVEGCSA-N 1 2 347.810 0.475 20 30 ECEDLO O=C(NC[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)C1CS(=O)(=O)C1 ZINC001028564000 753151180 /nfs/dbraw/zinc/15/11/80/753151180.db2.gz SCPPIFMEYWFGFC-MRXNPFEDSA-N 1 2 346.452 0.521 20 30 ECEDLO O=C(NC[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)C1CS(=O)(=O)C1 ZINC001028564000 753151183 /nfs/dbraw/zinc/15/11/83/753151183.db2.gz SCPPIFMEYWFGFC-MRXNPFEDSA-N 1 2 346.452 0.521 20 30 ECEDLO Cc1ccc(CNC(=O)C(=O)NCCCn2cc[nH+]c2)cc1C#N ZINC000929099506 753343866 /nfs/dbraw/zinc/34/38/66/753343866.db2.gz ISLXQUYJBPAXJR-UHFFFAOYSA-N 1 2 325.372 0.886 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C)nc1 ZINC000989163144 753409681 /nfs/dbraw/zinc/40/96/81/753409681.db2.gz AUWRUTHZYQYZGU-OCCSQVGLSA-N 1 2 337.383 0.748 20 30 ECEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)ccc1F ZINC001008182233 753434799 /nfs/dbraw/zinc/43/47/99/753434799.db2.gz KFTWFKORTVFHQO-HUUCEWRRSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)ccc1F ZINC001008182233 753434801 /nfs/dbraw/zinc/43/48/01/753434801.db2.gz KFTWFKORTVFHQO-HUUCEWRRSA-N 1 2 344.390 0.914 20 30 ECEDLO Cn1nnc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001008211273 753467331 /nfs/dbraw/zinc/46/73/31/753467331.db2.gz BVUVGQYHQXPXQB-ZDUSSCGKSA-N 1 2 343.366 0.615 20 30 ECEDLO Cn1nnc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001008211273 753467337 /nfs/dbraw/zinc/46/73/37/753467337.db2.gz BVUVGQYHQXPXQB-ZDUSSCGKSA-N 1 2 343.366 0.615 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cc4n(n3)CCC4)C2)nn1 ZINC001098681889 753648538 /nfs/dbraw/zinc/64/85/38/753648538.db2.gz ZGVWHIURMHXZTL-OAHLLOKOSA-N 1 2 339.403 0.231 20 30 ECEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)ccc1F ZINC001008362999 753657739 /nfs/dbraw/zinc/65/77/39/753657739.db2.gz CIMXOVMWUFFQGT-ZFWWWQNUSA-N 1 2 345.378 0.459 20 30 ECEDLO N#Cc1cc(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)ccc1F ZINC001008362999 753657743 /nfs/dbraw/zinc/65/77/43/753657743.db2.gz CIMXOVMWUFFQGT-ZFWWWQNUSA-N 1 2 345.378 0.459 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCCc3nc(C)no3)C2)nn1 ZINC001105372784 753684623 /nfs/dbraw/zinc/68/46/23/753684623.db2.gz XESVCVFLUXNGHG-UHFFFAOYSA-N 1 2 343.391 0.099 20 30 ECEDLO CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001105492766 753730371 /nfs/dbraw/zinc/73/03/71/753730371.db2.gz XEYBVNFJHHMBQV-CYBMUJFWSA-N 1 2 339.403 0.702 20 30 ECEDLO CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001105493625 753738641 /nfs/dbraw/zinc/73/86/41/753738641.db2.gz MYBRQQVPWBDTMY-ZDUSSCGKSA-N 1 2 339.403 0.702 20 30 ECEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@@H+](Cc2nnnn2C)C1 ZINC001028593350 753752485 /nfs/dbraw/zinc/75/24/85/753752485.db2.gz JXPBUHDGXWTUAJ-ZDUSSCGKSA-N 1 2 329.408 0.450 20 30 ECEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC[N@H+](Cc2nnnn2C)C1 ZINC001028593350 753752490 /nfs/dbraw/zinc/75/24/90/753752490.db2.gz JXPBUHDGXWTUAJ-ZDUSSCGKSA-N 1 2 329.408 0.450 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N(C)C3CC3)C2)c1 ZINC001008467618 753770779 /nfs/dbraw/zinc/77/07/79/753770779.db2.gz FDWJEVHPZYEJDF-MRXNPFEDSA-N 1 2 340.427 0.878 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N(C)C3CC3)C2)c1 ZINC001008467618 753770787 /nfs/dbraw/zinc/77/07/87/753770787.db2.gz FDWJEVHPZYEJDF-MRXNPFEDSA-N 1 2 340.427 0.878 20 30 ECEDLO O=C(Cc1c[nH]c[nH+]1)N[C@]12CCC[C@H]1CN(C(=O)C#CC1CC1)C2 ZINC001008479779 753785616 /nfs/dbraw/zinc/78/56/16/753785616.db2.gz CIBMZUSXKSLIHS-KSSFIOAISA-N 1 2 326.400 0.863 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001008591863 753933260 /nfs/dbraw/zinc/93/32/60/753933260.db2.gz QUIGSVWFWPYFQS-QWHCGFSZSA-N 1 2 338.843 0.959 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001008591863 753933265 /nfs/dbraw/zinc/93/32/65/753933265.db2.gz QUIGSVWFWPYFQS-QWHCGFSZSA-N 1 2 338.843 0.959 20 30 ECEDLO CC1(C)CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001008653995 753995199 /nfs/dbraw/zinc/99/51/99/753995199.db2.gz ZXSHCQHLTTVWFW-CQSZACIVSA-N 1 2 340.387 0.819 20 30 ECEDLO C#CCOc1ncccc1C(=O)N1CCC[N@@H+]([C@H](C)C(=O)NC)CC1 ZINC000989508830 754051252 /nfs/dbraw/zinc/05/12/52/754051252.db2.gz VRPVQRHLMKPRRG-CQSZACIVSA-N 1 2 344.415 0.376 20 30 ECEDLO C#CCOc1ncccc1C(=O)N1CCC[N@H+]([C@H](C)C(=O)NC)CC1 ZINC000989508830 754051255 /nfs/dbraw/zinc/05/12/55/754051255.db2.gz VRPVQRHLMKPRRG-CQSZACIVSA-N 1 2 344.415 0.376 20 30 ECEDLO C=CCCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3nnc(C)o3)C[C@@H]2C)nn1 ZINC000989544665 754093492 /nfs/dbraw/zinc/09/34/92/754093492.db2.gz VLTCXDRYQQHNTH-AAEUAGOBSA-N 1 2 345.407 0.938 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N(C)C)C2)nn1 ZINC001008815856 754149539 /nfs/dbraw/zinc/14/95/39/754149539.db2.gz RUPYHEMLFJWBFB-CYBMUJFWSA-N 1 2 334.424 0.137 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N(C)C)C2)nn1 ZINC001008815856 754149543 /nfs/dbraw/zinc/14/95/43/754149543.db2.gz RUPYHEMLFJWBFB-CYBMUJFWSA-N 1 2 334.424 0.137 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCc2ccoc2)[C@H](OC)C1 ZINC001212111510 754220230 /nfs/dbraw/zinc/22/02/30/754220230.db2.gz DWKJOKHWMOTPDX-HUUCEWRRSA-N 1 2 335.404 0.330 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCc2ccoc2)[C@H](OC)C1 ZINC001212111510 754220234 /nfs/dbraw/zinc/22/02/34/754220234.db2.gz DWKJOKHWMOTPDX-HUUCEWRRSA-N 1 2 335.404 0.330 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001009126992 754558238 /nfs/dbraw/zinc/55/82/38/754558238.db2.gz WSOXHUMSTGAMML-KBPBESRZSA-N 1 2 344.415 0.729 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001009126992 754558242 /nfs/dbraw/zinc/55/82/42/754558242.db2.gz WSOXHUMSTGAMML-KBPBESRZSA-N 1 2 344.415 0.729 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC001009260791 754717535 /nfs/dbraw/zinc/71/75/35/754717535.db2.gz OMAJFZOFOLNBEG-ZDUSSCGKSA-N 1 2 330.388 0.034 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001009260791 754717537 /nfs/dbraw/zinc/71/75/37/754717537.db2.gz OMAJFZOFOLNBEG-ZDUSSCGKSA-N 1 2 330.388 0.034 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001009372703 754821191 /nfs/dbraw/zinc/82/11/91/754821191.db2.gz SSFCMBRFKPPANS-GFCCVEGCSA-N 1 2 327.816 0.223 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001009372703 754821197 /nfs/dbraw/zinc/82/11/97/754821197.db2.gz SSFCMBRFKPPANS-GFCCVEGCSA-N 1 2 327.816 0.223 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001009420569 754870192 /nfs/dbraw/zinc/87/01/92/754870192.db2.gz XJTCIHXFSKEAMC-LLVKDONJSA-N 1 2 342.827 0.650 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001009420569 754870196 /nfs/dbraw/zinc/87/01/96/754870196.db2.gz XJTCIHXFSKEAMC-LLVKDONJSA-N 1 2 342.827 0.650 20 30 ECEDLO Cn1ncc(C[N@@H+]2CC[C@@]3(NC(=O)c4ccc(C#N)[nH]4)CCC[C@H]23)n1 ZINC000990249599 754876492 /nfs/dbraw/zinc/87/64/92/754876492.db2.gz FQBSUBWQEGUVHN-RDJZCZTQSA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1ncc(C[N@H+]2CC[C@@]3(NC(=O)c4ccc(C#N)[nH]4)CCC[C@H]23)n1 ZINC000990249599 754876494 /nfs/dbraw/zinc/87/64/94/754876494.db2.gz FQBSUBWQEGUVHN-RDJZCZTQSA-N 1 2 339.403 0.942 20 30 ECEDLO Cc1cc(=O)c(C(=O)N2C[C@H](C)OC3(CC[NH+](CC#N)CC3)C2)c[nH]1 ZINC001098652432 755157248 /nfs/dbraw/zinc/15/72/48/755157248.db2.gz DERKVSCWHYKFJJ-AWEZNQCLSA-N 1 2 344.415 0.902 20 30 ECEDLO Cn1nncc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC001075709998 755197395 /nfs/dbraw/zinc/19/73/95/755197395.db2.gz VYBIQCKLSTWBBD-XHDPSFHLSA-N 1 2 325.376 0.361 20 30 ECEDLO Cn1nncc1C[N@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC001075709998 755197396 /nfs/dbraw/zinc/19/73/96/755197396.db2.gz VYBIQCKLSTWBBD-XHDPSFHLSA-N 1 2 325.376 0.361 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ncnn2C)C1 ZINC001028864404 755335035 /nfs/dbraw/zinc/33/50/35/755335035.db2.gz NHXMIXVFJVHYQP-YCPHGPKFSA-N 1 2 333.436 0.734 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ncnn2C)C1 ZINC001028864404 755335038 /nfs/dbraw/zinc/33/50/38/755335038.db2.gz NHXMIXVFJVHYQP-YCPHGPKFSA-N 1 2 333.436 0.734 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(C)n2C)[C@H](OC)C1 ZINC001211842706 755439340 /nfs/dbraw/zinc/43/93/40/755439340.db2.gz ZLOQQFAXJNJFEI-SQWLQELKSA-N 1 2 348.447 0.453 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(C)n2C)[C@H](OC)C1 ZINC001211842706 755439345 /nfs/dbraw/zinc/43/93/45/755439345.db2.gz ZLOQQFAXJNJFEI-SQWLQELKSA-N 1 2 348.447 0.453 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@H]1C ZINC001088750748 755485918 /nfs/dbraw/zinc/48/59/18/755485918.db2.gz FVJRCEYFOJEGJO-OLZOCXBDSA-N 1 2 349.884 0.744 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@H]1C ZINC001088750748 755485919 /nfs/dbraw/zinc/48/59/19/755485919.db2.gz FVJRCEYFOJEGJO-OLZOCXBDSA-N 1 2 349.884 0.744 20 30 ECEDLO CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C)S(C)(=O)=O)C2)C1 ZINC001040264174 755494576 /nfs/dbraw/zinc/49/45/76/755494576.db2.gz MFUSYAGSISGNGH-ZBFHGGJFSA-N 1 2 326.462 0.757 20 30 ECEDLO CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C)S(C)(=O)=O)C2)C1 ZINC001040264174 755494579 /nfs/dbraw/zinc/49/45/79/755494579.db2.gz MFUSYAGSISGNGH-ZBFHGGJFSA-N 1 2 326.462 0.757 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cn(C)cn3)C2)nn1 ZINC001098655612 755640016 /nfs/dbraw/zinc/64/00/16/755640016.db2.gz HKZPKWBICFIDMM-AWEZNQCLSA-N 1 2 327.392 0.212 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(F)cc2NC(C)=O)[C@@H](O)C1 ZINC001083507176 755771217 /nfs/dbraw/zinc/77/12/17/755771217.db2.gz VOMNKZIEVCMDRC-CVEARBPZSA-N 1 2 333.363 0.582 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(F)cc2NC(C)=O)[C@@H](O)C1 ZINC001083507176 755771219 /nfs/dbraw/zinc/77/12/19/755771219.db2.gz VOMNKZIEVCMDRC-CVEARBPZSA-N 1 2 333.363 0.582 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3COCCO3)C2)c1 ZINC001010254536 755890689 /nfs/dbraw/zinc/89/06/89/755890689.db2.gz NGLNARLODFOVJF-GDBMZVCRSA-N 1 2 333.363 0.803 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)[C@H]3COCCO3)C2)c1 ZINC001010254536 755890691 /nfs/dbraw/zinc/89/06/91/755890691.db2.gz NGLNARLODFOVJF-GDBMZVCRSA-N 1 2 333.363 0.803 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001083525736 755918005 /nfs/dbraw/zinc/91/80/05/755918005.db2.gz JHDJUUQESORCAQ-ZBFHGGJFSA-N 1 2 329.404 0.383 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001083525736 755918007 /nfs/dbraw/zinc/91/80/07/755918007.db2.gz JHDJUUQESORCAQ-ZBFHGGJFSA-N 1 2 329.404 0.383 20 30 ECEDLO C#CCCCCC(=O)N1CC[C@@H](n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001098661787 756104525 /nfs/dbraw/zinc/10/45/25/756104525.db2.gz SETGRHZOCATLQP-DZGCQCFKSA-N 1 2 346.435 0.209 20 30 ECEDLO C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)Cc1c[nH+]cn1C ZINC001076216778 756229171 /nfs/dbraw/zinc/22/91/71/756229171.db2.gz ONUIRHPKSMRVNM-NSHDSACASA-N 1 2 328.376 0.487 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001076320137 756365852 /nfs/dbraw/zinc/36/58/52/756365852.db2.gz YAZKLCLQAACNKX-MJBXVCDLSA-N 1 2 334.420 0.944 20 30 ECEDLO CC(=O)N1CC(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001010757837 756487903 /nfs/dbraw/zinc/48/79/03/756487903.db2.gz FVGLEXBPYWJFJM-INIZCTEOSA-N 1 2 344.390 0.866 20 30 ECEDLO CC(=O)N1CC(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001010757837 756487906 /nfs/dbraw/zinc/48/79/06/756487906.db2.gz FVGLEXBPYWJFJM-INIZCTEOSA-N 1 2 344.390 0.866 20 30 ECEDLO CC(=O)N1CC(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)C1 ZINC001010759850 756489239 /nfs/dbraw/zinc/48/92/39/756489239.db2.gz NMOHKTMSVQRJMV-INIZCTEOSA-N 1 2 344.390 0.866 20 30 ECEDLO CC(=O)N1CC(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)C1 ZINC001010759850 756489241 /nfs/dbraw/zinc/48/92/41/756489241.db2.gz NMOHKTMSVQRJMV-INIZCTEOSA-N 1 2 344.390 0.866 20 30 ECEDLO Cn1nncc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001010820539 756567441 /nfs/dbraw/zinc/56/74/41/756567441.db2.gz DLPOSXYNBBYMOQ-ZDUSSCGKSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1nncc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001010820539 756567445 /nfs/dbraw/zinc/56/74/45/756567445.db2.gz DLPOSXYNBBYMOQ-ZDUSSCGKSA-N 1 2 328.351 0.830 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001076496958 756568415 /nfs/dbraw/zinc/56/84/15/756568415.db2.gz IUNGWHQAFZWTHM-DZGCQCFKSA-N 1 2 349.435 0.365 20 30 ECEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1COC(=O)N1 ZINC001010842163 756591252 /nfs/dbraw/zinc/59/12/52/756591252.db2.gz OSFWIKXZMWOLHR-HUUCEWRRSA-N 1 2 331.347 0.476 20 30 ECEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1COC(=O)N1 ZINC001010842163 756591258 /nfs/dbraw/zinc/59/12/58/756591258.db2.gz OSFWIKXZMWOLHR-HUUCEWRRSA-N 1 2 331.347 0.476 20 30 ECEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1COC(=O)N1 ZINC001010841936 756591515 /nfs/dbraw/zinc/59/15/15/756591515.db2.gz OSFWIKXZMWOLHR-CABCVRRESA-N 1 2 331.347 0.476 20 30 ECEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1COC(=O)N1 ZINC001010841936 756591517 /nfs/dbraw/zinc/59/15/17/756591517.db2.gz OSFWIKXZMWOLHR-CABCVRRESA-N 1 2 331.347 0.476 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3nccn3CC)C2)nn1 ZINC001098664858 756729872 /nfs/dbraw/zinc/72/98/72/756729872.db2.gz QQNALSCKWGARBO-OAHLLOKOSA-N 1 2 341.419 0.695 20 30 ECEDLO C=CCCO[C@H](C)C(=O)NCc1cn(C2C[NH+](CCOC)C2)nn1 ZINC001107140648 756961773 /nfs/dbraw/zinc/96/17/73/756961773.db2.gz OULJELKUEGNGHW-CYBMUJFWSA-N 1 2 337.424 0.379 20 30 ECEDLO C[C@@H](CCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1)NC(=O)C#CC1CC1 ZINC001076771366 757043468 /nfs/dbraw/zinc/04/34/68/757043468.db2.gz IMFVDSUZCNLYQU-KSSFIOAISA-N 1 2 347.459 0.522 20 30 ECEDLO C[C@@H](c1nnnn1C1CC1)[N@H+]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 ZINC001048810662 757068134 /nfs/dbraw/zinc/06/81/34/757068134.db2.gz RLPUHLDDMIOUKG-AEGPPILISA-N 1 2 340.431 0.873 20 30 ECEDLO C[C@@H](c1nnnn1C1CC1)[N@@H+]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 ZINC001048810662 757068147 /nfs/dbraw/zinc/06/81/47/757068147.db2.gz RLPUHLDDMIOUKG-AEGPPILISA-N 1 2 340.431 0.873 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC/C=C\CNc1ncnc2c1C[N@H+](C)CC2 ZINC001107148563 757082091 /nfs/dbraw/zinc/08/20/91/757082091.db2.gz MCTRKDGMWJGDSB-OOFWQKGWSA-N 1 2 345.447 0.876 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC/C=C\CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001107148563 757082095 /nfs/dbraw/zinc/08/20/95/757082095.db2.gz MCTRKDGMWJGDSB-OOFWQKGWSA-N 1 2 345.447 0.876 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC/C=C/CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001107148624 757082497 /nfs/dbraw/zinc/08/24/97/757082497.db2.gz NOXAQFBPCLOSLN-WAVCKPEOSA-N 1 2 334.424 0.657 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001011206598 757187691 /nfs/dbraw/zinc/18/76/91/757187691.db2.gz RVPHWQVYWFYJQN-CABCVRRESA-N 1 2 332.404 0.604 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC001011252460 757292948 /nfs/dbraw/zinc/29/29/48/757292948.db2.gz KBONJBCDFWAJLO-ZDUSSCGKSA-N 1 2 346.456 0.937 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC001011252460 757292958 /nfs/dbraw/zinc/29/29/58/757292958.db2.gz KBONJBCDFWAJLO-ZDUSSCGKSA-N 1 2 346.456 0.937 20 30 ECEDLO C[C@H](c1cnccn1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001076856072 757399930 /nfs/dbraw/zinc/39/99/30/757399930.db2.gz ZZJOYHQRIPVJQU-VCTAVGKDSA-N 1 2 326.360 0.212 20 30 ECEDLO C[C@H](c1cnccn1)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001076856072 757399942 /nfs/dbraw/zinc/39/99/42/757399942.db2.gz ZZJOYHQRIPVJQU-VCTAVGKDSA-N 1 2 326.360 0.212 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)Cc3cc(C)nn3C)nn2)C1 ZINC001107184712 757418182 /nfs/dbraw/zinc/41/81/82/757418182.db2.gz SWWJKGUHFCEWIF-UHFFFAOYSA-N 1 2 329.408 0.222 20 30 ECEDLO COc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)ccn1 ZINC001076897145 757514386 /nfs/dbraw/zinc/51/43/86/757514386.db2.gz HJHYIJMIVCNBQJ-HUUCEWRRSA-N 1 2 341.371 0.265 20 30 ECEDLO COc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)ccn1 ZINC001076897145 757514390 /nfs/dbraw/zinc/51/43/90/757514390.db2.gz HJHYIJMIVCNBQJ-HUUCEWRRSA-N 1 2 341.371 0.265 20 30 ECEDLO C[C@@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)n1cncn1 ZINC001076904491 757552730 /nfs/dbraw/zinc/55/27/30/757552730.db2.gz HSDGZWVLRSJXLR-USXIJHARSA-N 1 2 339.399 0.052 20 30 ECEDLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)n1cncn1 ZINC001076904491 757552740 /nfs/dbraw/zinc/55/27/40/757552740.db2.gz HSDGZWVLRSJXLR-USXIJHARSA-N 1 2 339.399 0.052 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](CCC)OCC)nn2)C1 ZINC001107196828 757555328 /nfs/dbraw/zinc/55/53/28/757555328.db2.gz SNPAVKYQCCXAEV-MRXNPFEDSA-N 1 2 333.436 0.980 20 30 ECEDLO COc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)ccn1 ZINC001076905792 757557546 /nfs/dbraw/zinc/55/75/46/757557546.db2.gz AODXJCUGTXOIRY-HUUCEWRRSA-N 1 2 341.371 0.265 20 30 ECEDLO COc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)ccn1 ZINC001076905792 757557552 /nfs/dbraw/zinc/55/75/52/757557552.db2.gz AODXJCUGTXOIRY-HUUCEWRRSA-N 1 2 341.371 0.265 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3CCC(O)CC3)C2)s1 ZINC001076939877 757686589 /nfs/dbraw/zinc/68/65/89/757686589.db2.gz ZVQQKZUQXKUXEU-DCNYZXSGSA-N 1 2 349.456 0.832 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CCC(O)CC3)C2)s1 ZINC001076939877 757686594 /nfs/dbraw/zinc/68/65/94/757686594.db2.gz ZVQQKZUQXKUXEU-DCNYZXSGSA-N 1 2 349.456 0.832 20 30 ECEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)c3cnccn3)CC2)C1 ZINC001105685196 757811556 /nfs/dbraw/zinc/81/15/56/757811556.db2.gz WJIRDBQBGNZXOF-UHFFFAOYSA-N 1 2 346.431 0.985 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3nccs3)nn2)C1 ZINC001107221418 757860553 /nfs/dbraw/zinc/86/05/53/757860553.db2.gz YLJLMRGVDNTBJN-UHFFFAOYSA-N 1 2 348.432 0.724 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C3(C(=O)NC)CCC3)nn2)C1 ZINC001107231288 757944369 /nfs/dbraw/zinc/94/43/69/757944369.db2.gz FZNSQQUOXBJBKH-UHFFFAOYSA-N 1 2 346.435 0.243 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CN3CCCCCC3=O)nn2)C1 ZINC001107234678 758018050 /nfs/dbraw/zinc/01/80/50/758018050.db2.gz PKQMYLRHNDCGBY-UHFFFAOYSA-N 1 2 346.435 0.340 20 30 ECEDLO CC(C)(C)n1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001021980890 758124277 /nfs/dbraw/zinc/12/42/77/758124277.db2.gz AIMBERUNSKFLPF-TXEJJXNPSA-N 1 2 342.407 0.678 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001011623057 758155103 /nfs/dbraw/zinc/15/51/03/758155103.db2.gz UNWXIAIWCPDJDG-ZBFHGGJFSA-N 1 2 348.447 0.318 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001011623057 758155110 /nfs/dbraw/zinc/15/51/10/758155110.db2.gz UNWXIAIWCPDJDG-ZBFHGGJFSA-N 1 2 348.447 0.318 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001011626947 758165502 /nfs/dbraw/zinc/16/55/02/758165502.db2.gz UESUCPNUEKYYDC-JQWIXIFHSA-N 1 2 326.360 0.571 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)NC/C=C/CNc1ccc(C#N)nn1 ZINC001107298730 758198354 /nfs/dbraw/zinc/19/83/54/758198354.db2.gz ZWLDUCLMMPSPPP-NSCUHMNNSA-N 1 2 325.376 0.799 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001011660767 758232483 /nfs/dbraw/zinc/23/24/83/758232483.db2.gz CZJOKBFKJKQDMU-ZYHUDNBSSA-N 1 2 326.360 0.571 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001011662645 758239950 /nfs/dbraw/zinc/23/99/50/758239950.db2.gz WNYCWJKSHOHPAG-GWCFXTLKSA-N 1 2 326.360 0.571 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@H]1O ZINC001077132913 758261539 /nfs/dbraw/zinc/26/15/39/758261539.db2.gz BPMITANJYRGAKT-GDBMZVCRSA-N 1 2 330.388 0.946 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@H]1O ZINC001077132913 758261543 /nfs/dbraw/zinc/26/15/43/758261543.db2.gz BPMITANJYRGAKT-GDBMZVCRSA-N 1 2 330.388 0.946 20 30 ECEDLO N#Cc1ccc(NC/C=C/CNC(=O)[C@H]2CCn3c[nH+]cc3C2)nn1 ZINC001107389329 758415272 /nfs/dbraw/zinc/41/52/72/758415272.db2.gz JBFJKJMUGFTIRL-AORQRIRUSA-N 1 2 337.387 0.892 20 30 ECEDLO C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nnnn1C)CC2 ZINC001107386097 758436165 /nfs/dbraw/zinc/43/61/65/758436165.db2.gz HKLTVWCJUSBJTP-RHSMWYFYSA-N 1 2 330.436 0.874 20 30 ECEDLO C#CCCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nnnn1C)CC2 ZINC001107386097 758436173 /nfs/dbraw/zinc/43/61/73/758436173.db2.gz HKLTVWCJUSBJTP-RHSMWYFYSA-N 1 2 330.436 0.874 20 30 ECEDLO N#Cc1cnccc1NC/C=C\CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001107394791 758452379 /nfs/dbraw/zinc/45/23/79/758452379.db2.gz POVULXZYTWCRRT-BOPNBLERSA-N 1 2 336.399 0.919 20 30 ECEDLO C=CCC(CC=C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001049317284 758509092 /nfs/dbraw/zinc/50/90/92/758509092.db2.gz YKXWDHRFZVEDFY-GJZGRUSLSA-N 1 2 346.431 0.751 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)nc1 ZINC001022293394 758530980 /nfs/dbraw/zinc/53/09/80/758530980.db2.gz RILGSIURIQLOED-GOEBONIOSA-N 1 2 349.394 0.702 20 30 ECEDLO Cc1nnccc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077310954 758771540 /nfs/dbraw/zinc/77/15/40/758771540.db2.gz JWIMTVVOMTYTBR-IAGOWNOFSA-N 1 2 337.383 0.632 20 30 ECEDLO Cc1nnccc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077310954 758771547 /nfs/dbraw/zinc/77/15/47/758771547.db2.gz JWIMTVVOMTYTBR-IAGOWNOFSA-N 1 2 337.383 0.632 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(N)=O ZINC001032323632 758772134 /nfs/dbraw/zinc/77/21/34/758772134.db2.gz JVTQAXLNLXXCFU-KBPBESRZSA-N 1 2 328.372 0.227 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(N)=O ZINC001032323632 758772137 /nfs/dbraw/zinc/77/21/37/758772137.db2.gz JVTQAXLNLXXCFU-KBPBESRZSA-N 1 2 328.372 0.227 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@H]2C)nn1 ZINC001011857694 758782776 /nfs/dbraw/zinc/78/27/76/758782776.db2.gz VGSRNUJSILFLAR-STQMWFEESA-N 1 2 343.391 0.080 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(N3CCCC3)ccn2)C1 ZINC001077323895 758808513 /nfs/dbraw/zinc/80/85/13/758808513.db2.gz JULTZHFUVWPFAE-IAGOWNOFSA-N 1 2 328.416 0.480 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(N3CCCC3)ccn2)C1 ZINC001077323895 758808517 /nfs/dbraw/zinc/80/85/17/758808517.db2.gz JULTZHFUVWPFAE-IAGOWNOFSA-N 1 2 328.416 0.480 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001011913201 758931002 /nfs/dbraw/zinc/93/10/02/758931002.db2.gz NALCKIZNPCEWSQ-BXUZGUMPSA-N 1 2 340.387 0.582 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@@H](n2cc(C[NH2+]CCF)nn2)C1 ZINC001098669308 758954253 /nfs/dbraw/zinc/95/42/53/758954253.db2.gz MRMYQGUPJYUGCO-UKRRQHHQSA-N 1 2 325.388 0.438 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)C1CC(Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001127006440 759237685 /nfs/dbraw/zinc/23/76/85/759237685.db2.gz QMWQXXYNFNYJJF-XGNXJENSSA-N 1 2 346.435 0.686 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001031089169 767851332 /nfs/dbraw/zinc/85/13/32/767851332.db2.gz WTSHMPWYRBAQGN-PMPSAXMXSA-N 1 2 334.420 0.026 20 30 ECEDLO Cn1cc(C[N@@H+]2C[C@@H]3CCCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)nn1 ZINC001050026297 759568002 /nfs/dbraw/zinc/56/80/02/759568002.db2.gz WAVGYUKUMYQXMG-BLLLJJGKSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1cc(C[N@H+]2C[C@@H]3CCCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)nn1 ZINC001050026297 759568012 /nfs/dbraw/zinc/56/80/12/759568012.db2.gz WAVGYUKUMYQXMG-BLLLJJGKSA-N 1 2 339.403 0.751 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001050099366 759700554 /nfs/dbraw/zinc/70/05/54/759700554.db2.gz YYVXWAWHHXVXED-YPMHNXCESA-N 1 2 349.460 0.871 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H](C)N(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001012444697 760011993 /nfs/dbraw/zinc/01/19/93/760011993.db2.gz DBGDLRANUAJDPJ-GWCFXTLKSA-N 1 2 340.387 0.880 20 30 ECEDLO C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](CNc2ccnc(C#N)n2)C1 ZINC001048228991 760118960 /nfs/dbraw/zinc/11/89/60/760118960.db2.gz BFUUMZXHHAJEFH-OLZOCXBDSA-N 1 2 339.403 0.775 20 30 ECEDLO C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001050410349 760239075 /nfs/dbraw/zinc/23/90/75/760239075.db2.gz FNGBWQBGZSWYHL-JSGCOSHPSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1c1ccnc(C#N)n1 ZINC001050449603 760283000 /nfs/dbraw/zinc/28/30/00/760283000.db2.gz ITEXFDNRDODHHJ-YPMHNXCESA-N 1 2 325.376 0.408 20 30 ECEDLO CCn1nncc1C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001007138987 767953640 /nfs/dbraw/zinc/95/36/40/767953640.db2.gz GDHJHNQLNHXBOM-CYBMUJFWSA-N 1 2 327.392 0.892 20 30 ECEDLO CCn1nncc1C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001007138987 767953645 /nfs/dbraw/zinc/95/36/45/767953645.db2.gz GDHJHNQLNHXBOM-CYBMUJFWSA-N 1 2 327.392 0.892 20 30 ECEDLO C=CCOCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001050571780 760512336 /nfs/dbraw/zinc/51/23/36/760512336.db2.gz GMNKUMIOFIABIR-KBPBESRZSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3cncs3)nn2)C1 ZINC001107135154 760606758 /nfs/dbraw/zinc/60/67/58/760606758.db2.gz OLFZCUZDQIWLHR-UHFFFAOYSA-N 1 2 348.432 0.724 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3cnns3)nn2)C1 ZINC001107136644 760846132 /nfs/dbraw/zinc/84/61/32/760846132.db2.gz DSNIRMKTQXIEPZ-UHFFFAOYSA-N 1 2 349.420 0.119 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H](C)N(C(=O)Cn3cc[nH+]c3)C2)nc1 ZINC001013050619 761012368 /nfs/dbraw/zinc/01/23/68/761012368.db2.gz SBLSGOSKUWOEKP-DZGCQCFKSA-N 1 2 337.383 0.679 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1c1nccnc1C#N ZINC001048759676 761126456 /nfs/dbraw/zinc/12/64/56/761126456.db2.gz NWXKNBAPZNMDBX-DZGCQCFKSA-N 1 2 339.403 0.798 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnn(CCOC)c1C ZINC001050920197 761145444 /nfs/dbraw/zinc/14/54/44/761145444.db2.gz XXKHVRBBWMBIGF-HNNXBMFYSA-N 1 2 336.436 0.845 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnn(CCOC)c1C ZINC001050920197 761145447 /nfs/dbraw/zinc/14/54/47/761145447.db2.gz XXKHVRBBWMBIGF-HNNXBMFYSA-N 1 2 336.436 0.845 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc2c(cn1)OCCO2 ZINC001050956500 761218083 /nfs/dbraw/zinc/21/80/83/761218083.db2.gz CLRXBALKOXURTQ-CYBMUJFWSA-N 1 2 333.388 0.860 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc2c(cn1)OCCO2 ZINC001050956500 761218088 /nfs/dbraw/zinc/21/80/88/761218088.db2.gz CLRXBALKOXURTQ-CYBMUJFWSA-N 1 2 333.388 0.860 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cnc2ccc(OC)nn21 ZINC001050988871 761282311 /nfs/dbraw/zinc/28/23/11/761282311.db2.gz KCMMIGGYMLTMET-CYBMUJFWSA-N 1 2 345.403 0.745 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnc2ccc(OC)nn21 ZINC001050988871 761282316 /nfs/dbraw/zinc/28/23/16/761282316.db2.gz KCMMIGGYMLTMET-CYBMUJFWSA-N 1 2 345.403 0.745 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001051016744 761343027 /nfs/dbraw/zinc/34/30/27/761343027.db2.gz IIUSEYNYPHRTEU-ZIAGYGMSSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001051024037 761354604 /nfs/dbraw/zinc/35/46/04/761354604.db2.gz MAVKYDPJEVMUDW-CABCVRRESA-N 1 2 334.420 0.829 20 30 ECEDLO C#CCCN1CCOC[C@H]1CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001051045911 761385966 /nfs/dbraw/zinc/38/59/66/761385966.db2.gz GNTCHNFMFQEPJV-QZTJIDSGSA-N 1 2 349.475 0.328 20 30 ECEDLO C#CCCN1CCOC[C@H]1CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001051045911 761385975 /nfs/dbraw/zinc/38/59/75/761385975.db2.gz GNTCHNFMFQEPJV-QZTJIDSGSA-N 1 2 349.475 0.328 20 30 ECEDLO C#CCN1CCOC[C@H]1CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001051075356 761443661 /nfs/dbraw/zinc/44/36/61/761443661.db2.gz KEHIPPRRYSXMGB-IAGOWNOFSA-N 1 2 335.448 0.080 20 30 ECEDLO C#CCN1CCOC[C@H]1CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001051075356 761443665 /nfs/dbraw/zinc/44/36/65/761443665.db2.gz KEHIPPRRYSXMGB-IAGOWNOFSA-N 1 2 335.448 0.080 20 30 ECEDLO C#CCCN1CCOC[C@H]1CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001051076068 761445881 /nfs/dbraw/zinc/44/58/81/761445881.db2.gz OOHCEAAMTKBFNN-MSOLQXFVSA-N 1 2 349.475 0.470 20 30 ECEDLO C#CCCN1CCOC[C@H]1CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001051076068 761445887 /nfs/dbraw/zinc/44/58/87/761445887.db2.gz OOHCEAAMTKBFNN-MSOLQXFVSA-N 1 2 349.475 0.470 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)nc1 ZINC001013470858 761458410 /nfs/dbraw/zinc/45/84/10/761458410.db2.gz RHMYCAIJMHCAFI-TZMCWYRMSA-N 1 2 337.383 0.748 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2COCC[N@H+]2CC2CC(C)C2)nn1 ZINC001051155310 761577239 /nfs/dbraw/zinc/57/72/39/761577239.db2.gz FBINLQPOACNEES-NRXISQOPSA-N 1 2 333.436 0.941 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2COCC[N@@H+]2CC2CC(C)C2)nn1 ZINC001051155310 761577246 /nfs/dbraw/zinc/57/72/46/761577246.db2.gz FBINLQPOACNEES-NRXISQOPSA-N 1 2 333.436 0.941 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001051162190 761588253 /nfs/dbraw/zinc/58/82/53/761588253.db2.gz PUYGCVDYNSKQRT-BRWVUGGUSA-N 1 2 348.447 0.681 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001051162190 761588258 /nfs/dbraw/zinc/58/82/58/761588258.db2.gz PUYGCVDYNSKQRT-BRWVUGGUSA-N 1 2 348.447 0.681 20 30 ECEDLO CC(C)C#CC(=O)N[C@H](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001051261713 761786140 /nfs/dbraw/zinc/78/61/40/761786140.db2.gz UKALKSXPSIQRON-HUUCEWRRSA-N 1 2 330.432 0.975 20 30 ECEDLO O=C(Cn1nccn1)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001014567818 762839073 /nfs/dbraw/zinc/83/90/73/762839073.db2.gz VKJZBCGCSAZACB-MRXNPFEDSA-N 1 2 327.363 0.659 20 30 ECEDLO O=C(Cn1nccn1)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001014567818 762839082 /nfs/dbraw/zinc/83/90/82/762839082.db2.gz VKJZBCGCSAZACB-MRXNPFEDSA-N 1 2 327.363 0.659 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001017528172 768087072 /nfs/dbraw/zinc/08/70/72/768087072.db2.gz BCJUKCDNEJUOMI-UKRRQHHQSA-N 1 2 341.415 0.880 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001017532213 768089227 /nfs/dbraw/zinc/08/92/27/768089227.db2.gz AGAMOVWDOQPMCO-HIFRSBDPSA-N 1 2 341.415 0.880 20 30 ECEDLO N#Cc1cnc(N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](O)C2)c(F)c1 ZINC001051790159 762970947 /nfs/dbraw/zinc/97/09/47/762970947.db2.gz TUTIHNOYAHSGSR-KGLIPLIRSA-N 1 2 344.350 0.114 20 30 ECEDLO C=C1CCC(C(=O)N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](O)C2)CC1 ZINC000991723630 762978673 /nfs/dbraw/zinc/97/86/73/762978673.db2.gz RAYIBNMCRDKIPK-GJZGRUSLSA-N 1 2 346.431 0.777 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCO[C@H](C[NH2+]Cc3nc(N(C)C)no3)C2)C1 ZINC001051815131 763029550 /nfs/dbraw/zinc/02/95/50/763029550.db2.gz PEKXEWBNSXQNQB-CYBMUJFWSA-N 1 2 349.435 0.809 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC000991737139 763057745 /nfs/dbraw/zinc/05/77/45/763057745.db2.gz XBMYLPQYWYLIDA-STQMWFEESA-N 1 2 334.420 0.633 20 30 ECEDLO Cc1nn[nH]c1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031890800 763333573 /nfs/dbraw/zinc/33/35/73/763333573.db2.gz OQLGSPRDMDPBLU-UHFFFAOYSA-N 1 2 327.363 0.966 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001014880228 763359454 /nfs/dbraw/zinc/35/94/54/763359454.db2.gz IXSJPOCYIAWYGM-OCCSQVGLSA-N 1 2 340.387 0.892 20 30 ECEDLO C=CCn1cccc1C(=O)NC1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001030447846 763367463 /nfs/dbraw/zinc/36/74/63/763367463.db2.gz OECZPYDCFVPTJQ-OAHLLOKOSA-N 1 2 329.404 0.346 20 30 ECEDLO C=CCN1CC[C@H](N2CC[NH+]([C@@H]3CCN(C(=O)CC)C3)CC2)C1=O ZINC001051957311 763449551 /nfs/dbraw/zinc/44/95/51/763449551.db2.gz DYFTYJUQRYUJIK-CVEARBPZSA-N 1 2 334.464 0.402 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCN([C@@H]3CCN(C(=O)CC)C3)CC2)C1=O ZINC001051957311 763449559 /nfs/dbraw/zinc/44/95/59/763449559.db2.gz DYFTYJUQRYUJIK-CVEARBPZSA-N 1 2 334.464 0.402 20 30 ECEDLO CN1C[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)NC1=O ZINC001031902802 763478587 /nfs/dbraw/zinc/47/85/87/763478587.db2.gz RBVPNGUIZFXSOO-OAHLLOKOSA-N 1 2 345.378 0.269 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCC1(F)F ZINC001046972359 763491866 /nfs/dbraw/zinc/49/18/66/763491866.db2.gz DBJDPZZWNBSLCO-UTUOFQBUSA-N 1 2 331.363 0.136 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCC1(F)F ZINC001046972359 763491871 /nfs/dbraw/zinc/49/18/71/763491871.db2.gz DBJDPZZWNBSLCO-UTUOFQBUSA-N 1 2 331.363 0.136 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C2)CC1 ZINC001051976567 763494529 /nfs/dbraw/zinc/49/45/29/763494529.db2.gz FXXBZVDUVOZYAA-CQSZACIVSA-N 1 2 331.420 0.590 20 30 ECEDLO C=CCN1CC[C@H](N2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1=O ZINC001030473123 763521431 /nfs/dbraw/zinc/52/14/31/763521431.db2.gz HOAVSDLMOWWOIZ-NFAWXSAZSA-N 1 2 329.404 0.101 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3COCCO3)C2)CC1 ZINC001051988649 763524574 /nfs/dbraw/zinc/52/45/74/763524574.db2.gz XOFJFRWQFPXKJH-LSDHHAIUSA-N 1 2 343.855 0.373 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(Cc3cncn3C)CC2)C1 ZINC001051997571 763547661 /nfs/dbraw/zinc/54/76/61/763547661.db2.gz DSDTXFDTHOBXRG-HUUCEWRRSA-N 1 2 330.436 0.298 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccnc(-n3cccn3)c2)[C@@H](O)C1 ZINC001083769973 763547742 /nfs/dbraw/zinc/54/77/42/763547742.db2.gz OJVNWRKFQOWMGX-CABCVRRESA-N 1 2 325.372 0.066 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccnc(-n3cccn3)c2)[C@@H](O)C1 ZINC001083769973 763547746 /nfs/dbraw/zinc/54/77/46/763547746.db2.gz OJVNWRKFQOWMGX-CABCVRRESA-N 1 2 325.372 0.066 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3cc(C)n[nH]3)C2)CC1 ZINC001052011599 763582481 /nfs/dbraw/zinc/58/24/81/763582481.db2.gz WEVJULYEUIYZNP-KRWDZBQOSA-N 1 2 329.448 0.502 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]([NH+]2CCN(Cc3cnsn3)CC2)C1 ZINC001052026376 763619024 /nfs/dbraw/zinc/61/90/24/763619024.db2.gz OZFWWVBZMCHNHJ-MRXNPFEDSA-N 1 2 345.472 0.670 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCN(CCO)CC2)C1 ZINC001052029302 763626486 /nfs/dbraw/zinc/62/64/86/763626486.db2.gz ZMBBMCPNIYSAOE-ZACQAIPSSA-N 1 2 337.464 0.178 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccc4n[nH]nc43)C2)CC1 ZINC001052031388 763631938 /nfs/dbraw/zinc/63/19/38/763631938.db2.gz MGLWYLRRWKGFLX-CQSZACIVSA-N 1 2 338.415 0.423 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)CCc3ccncn3)C2)CC1 ZINC001052032605 763635004 /nfs/dbraw/zinc/63/50/04/763635004.db2.gz HNTYEWHWOXQPKF-GOSISDBHSA-N 1 2 341.459 0.651 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3cnn(C)c3C)C2)CC1 ZINC001052032728 763635331 /nfs/dbraw/zinc/63/53/31/763635331.db2.gz JDQHUGUIQVVBSQ-SFHVURJKSA-N 1 2 343.475 0.513 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cnn(C)c3C)C2)CC1 ZINC001052033313 763636657 /nfs/dbraw/zinc/63/66/57/763636657.db2.gz ORXQJGLASXZVLD-GOSISDBHSA-N 1 2 343.475 0.513 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn4c3CCC4)C2)CC1 ZINC001052035672 763642938 /nfs/dbraw/zinc/64/29/38/763642938.db2.gz NFUROQDYWZKSBF-CQSZACIVSA-N 1 2 328.420 0.185 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccnc4ccnn43)C2)CC1 ZINC001052036276 763648015 /nfs/dbraw/zinc/64/80/15/763648015.db2.gz JUOIIPMOTQTKFZ-AWEZNQCLSA-N 1 2 339.403 0.085 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)C[C@H]3CCC(=O)NC3)C2)CC1 ZINC001052036700 763650551 /nfs/dbraw/zinc/65/05/51/763650551.db2.gz SRQAOWTVOQDXDM-SJORKVTESA-N 1 2 346.475 0.145 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3cnc(C)o3)C2)CC1 ZINC001052036964 763652612 /nfs/dbraw/zinc/65/26/12/763652612.db2.gz ZJBJAIBCOMXZEE-INIZCTEOSA-N 1 2 330.432 0.767 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn4ncccc34)C2)CC1 ZINC001052037209 763654274 /nfs/dbraw/zinc/65/42/74/763654274.db2.gz HPCSVLOSNGUPIQ-HNNXBMFYSA-N 1 2 338.415 0.195 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)COc3cc(C)on3)C2)CC1 ZINC001052037550 763655594 /nfs/dbraw/zinc/65/55/94/763655594.db2.gz NKXHVPJRWCXKAB-OAHLLOKOSA-N 1 2 332.404 0.214 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc4nc[nH]c4n3)C2)CC1 ZINC001052041326 763667083 /nfs/dbraw/zinc/66/70/83/763667083.db2.gz YZEWIOYVSJVXOD-ZDUSSCGKSA-N 1 2 339.403 0.314 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@]3(C)CCNC(=O)C3)C2)CC1 ZINC001052042845 763672474 /nfs/dbraw/zinc/67/24/74/763672474.db2.gz HYVURXHSIUJDPH-LPHOPBHVSA-N 1 2 348.491 0.697 20 30 ECEDLO C=CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)S(C)(=O)=O)C2)CC1 ZINC001052043123 763673811 /nfs/dbraw/zinc/67/38/11/763673811.db2.gz PJEZYRMMTFXISQ-GJZGRUSLSA-N 1 2 343.493 0.214 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc4c[nH]ccc-4n3)C2)CC1 ZINC001052043464 763674962 /nfs/dbraw/zinc/67/49/62/763674962.db2.gz ZBNJBNXYMGXBQW-HNNXBMFYSA-N 1 2 338.415 0.919 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C ZINC001052045241 763682374 /nfs/dbraw/zinc/68/23/74/763682374.db2.gz PFLPWNHPCMXGBO-DGCLKSJQSA-N 1 2 349.460 0.728 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001052045702 763684545 /nfs/dbraw/zinc/68/45/45/763684545.db2.gz SXQNFKHSOKWYJX-UONOGXRCSA-N 1 2 349.460 0.741 20 30 ECEDLO CCN1CCOC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001015025894 763694485 /nfs/dbraw/zinc/69/44/85/763694485.db2.gz SPZHHVNXPCHCDU-MSOLQXFVSA-N 1 2 342.443 0.969 20 30 ECEDLO CCN1CCOC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001015025894 763694490 /nfs/dbraw/zinc/69/44/90/763694490.db2.gz SPZHHVNXPCHCDU-MSOLQXFVSA-N 1 2 342.443 0.969 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)C[C@H]3CCCC(=O)N3)C2)CC1 ZINC001052048664 763697723 /nfs/dbraw/zinc/69/77/23/763697723.db2.gz AJAVUPYSIXTQIC-SJORKVTESA-N 1 2 346.475 0.287 20 30 ECEDLO N#Cc1cccnc1NC[C@H](O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001106014885 763714492 /nfs/dbraw/zinc/71/44/92/763714492.db2.gz DVUZMLODMOPQKH-KBPBESRZSA-N 1 2 340.387 0.301 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001052053454 763718548 /nfs/dbraw/zinc/71/85/48/763718548.db2.gz LMNCEMUDOYYVSU-ZXXIGWHRSA-N 1 2 329.444 0.262 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN([C@@H]3CCN(C)C3=O)CC2)C1 ZINC001052061195 763743097 /nfs/dbraw/zinc/74/30/97/763743097.db2.gz SYNQNVVPLTXHCH-HZPDHXFCSA-N 1 2 348.491 0.648 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H](N2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)C1 ZINC001052061195 763743101 /nfs/dbraw/zinc/74/31/01/763743101.db2.gz SYNQNVVPLTXHCH-HZPDHXFCSA-N 1 2 348.491 0.648 20 30 ECEDLO COc1cc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)cc(C)n1 ZINC001052070996 763771111 /nfs/dbraw/zinc/77/11/11/763771111.db2.gz OMMWVGRKECSPRM-INIZCTEOSA-N 1 2 343.431 0.754 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@]3(C)CCC(=O)N3)C2)CC1 ZINC001052079255 763792404 /nfs/dbraw/zinc/79/24/04/763792404.db2.gz HKQHVHWBQMICSA-YJBOKZPZSA-N 1 2 334.464 0.450 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1 ZINC001052092160 763833417 /nfs/dbraw/zinc/83/34/17/763833417.db2.gz UPZAQAVVHNEIOU-TVFCKZIOSA-N 1 2 331.460 0.796 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]([NH+]3CCN(CCF)CC3)C2)nn1 ZINC001052093305 763836584 /nfs/dbraw/zinc/83/65/84/763836584.db2.gz NKVMFWNTOFFZFL-AWEZNQCLSA-N 1 2 336.415 0.266 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc4nncn4c3)C2)CC1 ZINC001052098664 763854067 /nfs/dbraw/zinc/85/40/67/763854067.db2.gz MYQZDAOQTWUXRH-INIZCTEOSA-N 1 2 338.415 0.195 20 30 ECEDLO COCc1nc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)co1 ZINC001052104202 763871951 /nfs/dbraw/zinc/87/19/51/763871951.db2.gz XTKLHZGJFBWUFD-CYBMUJFWSA-N 1 2 333.392 0.177 20 30 ECEDLO CC(C)n1cc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)cn1 ZINC001052108699 763893134 /nfs/dbraw/zinc/89/31/34/763893134.db2.gz OZSMFUPTTQAYNM-INIZCTEOSA-N 1 2 330.436 0.820 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(C)n(C)nc3Cl)C2)CC1 ZINC001052112017 763906185 /nfs/dbraw/zinc/90/61/85/763906185.db2.gz JUNPHHQVMASQFM-CQSZACIVSA-N 1 2 349.866 0.847 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c(C)n(C)nc3Cl)C2)CC1 ZINC001052112017 763906188 /nfs/dbraw/zinc/90/61/88/763906188.db2.gz JUNPHHQVMASQFM-CQSZACIVSA-N 1 2 349.866 0.847 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccnc3N(C)C)C2)CC1 ZINC001052117273 763927293 /nfs/dbraw/zinc/92/72/93/763927293.db2.gz JIWMABYMIABMRJ-INIZCTEOSA-N 1 2 341.459 0.613 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC34CCOCC4)C2)CC1 ZINC001052131685 763962622 /nfs/dbraw/zinc/96/26/22/763962622.db2.gz WZXZDWGIYLYLEB-IAGOWNOFSA-N 1 2 331.460 0.655 20 30 ECEDLO CN(C(=O)c1cn[nH]c1)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047312921 763962767 /nfs/dbraw/zinc/96/27/67/763962767.db2.gz MOTNKYPIQSRQAS-KBPBESRZSA-N 1 2 331.401 0.660 20 30 ECEDLO CN(C(=O)c1cn[nH]c1)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047312921 763962775 /nfs/dbraw/zinc/96/27/75/763962775.db2.gz MOTNKYPIQSRQAS-KBPBESRZSA-N 1 2 331.401 0.660 20 30 ECEDLO Cc1ncoc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001047337749 764045073 /nfs/dbraw/zinc/04/50/73/764045073.db2.gz HMGBNGFGSBKCPC-KBPBESRZSA-N 1 2 329.360 0.500 20 30 ECEDLO Cc1ncoc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001047337749 764045082 /nfs/dbraw/zinc/04/50/82/764045082.db2.gz HMGBNGFGSBKCPC-KBPBESRZSA-N 1 2 329.360 0.500 20 30 ECEDLO Cc1cnc(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)cn1 ZINC001047353190 764087625 /nfs/dbraw/zinc/08/76/25/764087625.db2.gz CVCPVVDLTOELLS-HOTGVXAUSA-N 1 2 340.387 0.302 20 30 ECEDLO Cc1cnc(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)cn1 ZINC001047353190 764087632 /nfs/dbraw/zinc/08/76/32/764087632.db2.gz CVCPVVDLTOELLS-HOTGVXAUSA-N 1 2 340.387 0.302 20 30 ECEDLO C[C@@H](c1cnccn1)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001047354790 764093864 /nfs/dbraw/zinc/09/38/64/764093864.db2.gz LSRSYFAXMXLLJL-UVBJJODRSA-N 1 2 340.387 0.555 20 30 ECEDLO C[C@@H](c1cnccn1)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001047354790 764093871 /nfs/dbraw/zinc/09/38/71/764093871.db2.gz LSRSYFAXMXLLJL-UVBJJODRSA-N 1 2 340.387 0.555 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2cnc(C)o2)C[C@@H]1O ZINC001047385289 764181722 /nfs/dbraw/zinc/18/17/22/764181722.db2.gz FSPDZRKWJHZZNU-QZWWFDLISA-N 1 2 349.431 0.968 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2cnc(C)o2)C[C@@H]1O ZINC001047385289 764181728 /nfs/dbraw/zinc/18/17/28/764181728.db2.gz FSPDZRKWJHZZNU-QZWWFDLISA-N 1 2 349.431 0.968 20 30 ECEDLO Cn1nnnc1C[N@@H+]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001052288777 764201136 /nfs/dbraw/zinc/20/11/36/764201136.db2.gz PAGFPMIJUYVSKY-LBPRGKRZSA-N 1 2 328.380 0.194 20 30 ECEDLO Cn1nnnc1C[N@H+]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001052288777 764201144 /nfs/dbraw/zinc/20/11/44/764201144.db2.gz PAGFPMIJUYVSKY-LBPRGKRZSA-N 1 2 328.380 0.194 20 30 ECEDLO Cn1[nH]c(C[N@@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)CC2)nc1=O ZINC001052315561 764237158 /nfs/dbraw/zinc/23/71/58/764237158.db2.gz RDCOBMZRLDIVER-GFCCVEGCSA-N 1 2 343.391 0.093 20 30 ECEDLO Cn1[nH]c(C[N@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)CC2)nc1=O ZINC001052315561 764237165 /nfs/dbraw/zinc/23/71/65/764237165.db2.gz RDCOBMZRLDIVER-GFCCVEGCSA-N 1 2 343.391 0.093 20 30 ECEDLO C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC001047406339 764244856 /nfs/dbraw/zinc/24/48/56/764244856.db2.gz CLJWWOSHPBXNEI-IHRRRGAJSA-N 1 2 330.450 0.033 20 30 ECEDLO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC001047406339 764244860 /nfs/dbraw/zinc/24/48/60/764244860.db2.gz CLJWWOSHPBXNEI-IHRRRGAJSA-N 1 2 330.450 0.033 20 30 ECEDLO C=C[C@H](CC)CC(=O)NC[C@H](O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106066920 764279812 /nfs/dbraw/zinc/27/98/12/764279812.db2.gz NHSSSRSSZVABIG-OLZOCXBDSA-N 1 2 336.440 0.737 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc(OCC)no3)C2)C1=O ZINC001015301980 764333129 /nfs/dbraw/zinc/33/31/29/764333129.db2.gz ZXFYYTCBXXETIA-STQMWFEESA-N 1 2 348.403 0.664 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(OCC)no3)C2)C1=O ZINC001015301980 764333137 /nfs/dbraw/zinc/33/31/37/764333137.db2.gz ZXFYYTCBXXETIA-STQMWFEESA-N 1 2 348.403 0.664 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncsc2C(F)(F)F)C1 ZINC001047457703 764403956 /nfs/dbraw/zinc/40/39/56/764403956.db2.gz JXBJQUZNOHWJQH-IUCAKERBSA-N 1 2 333.335 0.912 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncsc2C(F)(F)F)C1 ZINC001047457703 764403958 /nfs/dbraw/zinc/40/39/58/764403958.db2.gz JXBJQUZNOHWJQH-IUCAKERBSA-N 1 2 333.335 0.912 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cnc(C)cn3)[C@@H]2C)nn1 ZINC001088906886 764419710 /nfs/dbraw/zinc/41/97/10/764419710.db2.gz QBPNJQVOUUHPKP-HIFRSBDPSA-N 1 2 341.419 0.955 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cnc(C)cn3)[C@@H]2C)nn1 ZINC001088906886 764419714 /nfs/dbraw/zinc/41/97/14/764419714.db2.gz QBPNJQVOUUHPKP-HIFRSBDPSA-N 1 2 341.419 0.955 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3cccn3)nc2)C1 ZINC001047477488 764457519 /nfs/dbraw/zinc/45/75/19/764457519.db2.gz BRSKVRWNRFDCEF-GJZGRUSLSA-N 1 2 325.372 0.018 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3cccn3)nc2)C1 ZINC001047477488 764457523 /nfs/dbraw/zinc/45/75/23/764457523.db2.gz BRSKVRWNRFDCEF-GJZGRUSLSA-N 1 2 325.372 0.018 20 30 ECEDLO C[C@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]1CN(c1cncc(C#N)n1)C2 ZINC001052424825 764464585 /nfs/dbraw/zinc/46/45/85/764464585.db2.gz JSDWWHIIIMHGAT-PXAZEXFGSA-N 1 2 337.387 0.599 20 30 ECEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001032075318 764468038 /nfs/dbraw/zinc/46/80/38/764468038.db2.gz IYLGJLWREZEUBG-UHFFFAOYSA-N 1 2 337.383 0.847 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncoc2[C@H]2CCCO2)C1 ZINC001047483673 764482092 /nfs/dbraw/zinc/48/20/92/764482092.db2.gz GKYYVGWOAWJPKF-MELADBBJSA-N 1 2 333.388 0.667 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncoc2[C@H]2CCCO2)C1 ZINC001047483673 764482101 /nfs/dbraw/zinc/48/21/01/764482101.db2.gz GKYYVGWOAWJPKF-MELADBBJSA-N 1 2 333.388 0.667 20 30 ECEDLO CN(C(=O)Cc1cnoc1)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047498952 764517819 /nfs/dbraw/zinc/51/78/19/764517819.db2.gz QXXGZDWJGRIMAX-GJZGRUSLSA-N 1 2 346.412 0.854 20 30 ECEDLO CN(C(=O)Cc1cnoc1)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047498952 764517823 /nfs/dbraw/zinc/51/78/23/764517823.db2.gz QXXGZDWJGRIMAX-GJZGRUSLSA-N 1 2 346.412 0.854 20 30 ECEDLO C[C@H](C#N)C(=O)NCC[NH2+]Cc1csc(CS(C)(=O)=O)n1 ZINC001124902522 764538255 /nfs/dbraw/zinc/53/82/55/764538255.db2.gz JUNPIZKEKVZTAZ-SECBINFHSA-N 1 2 330.435 0.053 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)[C@H]2C[N@H+](Cc3cc(C)no3)C[C@@H]2O)c1 ZINC001047520829 764577308 /nfs/dbraw/zinc/57/73/08/764577308.db2.gz DACKLBNGHLHSQZ-IRXDYDNUSA-N 1 2 340.383 0.677 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)[C@H]2C[N@@H+](Cc3cc(C)no3)C[C@@H]2O)c1 ZINC001047520829 764577314 /nfs/dbraw/zinc/57/73/14/764577314.db2.gz DACKLBNGHLHSQZ-IRXDYDNUSA-N 1 2 340.383 0.677 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCC(=O)NCCC)C2)nn1 ZINC001098767180 764601337 /nfs/dbraw/zinc/60/13/37/764601337.db2.gz KKBIIVWSRZPBCR-OAHLLOKOSA-N 1 2 346.435 0.081 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3ccccn3)c2)C1 ZINC001047552679 764672938 /nfs/dbraw/zinc/67/29/38/764672938.db2.gz QROSPRWWVVFWCO-GJZGRUSLSA-N 1 2 325.372 0.018 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3ccccn3)c2)C1 ZINC001047552679 764672946 /nfs/dbraw/zinc/67/29/46/764672946.db2.gz QROSPRWWVVFWCO-GJZGRUSLSA-N 1 2 325.372 0.018 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1C ZINC001052549912 764738210 /nfs/dbraw/zinc/73/82/10/764738210.db2.gz XQVYODQBFNSGES-DOMZBBRYSA-N 1 2 328.416 0.885 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2CC(OC)C2)C1=O ZINC001017642560 768239462 /nfs/dbraw/zinc/23/94/62/768239462.db2.gz YDUDOKQIPSOMLZ-QFDKOSDTSA-N 1 2 347.459 0.874 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2CC(OC)C2)C1=O ZINC001017642560 768239467 /nfs/dbraw/zinc/23/94/67/768239467.db2.gz YDUDOKQIPSOMLZ-QFDKOSDTSA-N 1 2 347.459 0.874 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2CC2)C[C@H]1Nc1ccncc1C#N ZINC001052714367 765033938 /nfs/dbraw/zinc/03/39/38/765033938.db2.gz ODKNSYAHBVOOBP-GDBMZVCRSA-N 1 2 336.399 0.925 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)c(F)c1 ZINC001015632719 765104338 /nfs/dbraw/zinc/10/43/38/765104338.db2.gz BDJJVNUQHLVHLF-TZMCWYRMSA-N 1 2 331.351 0.069 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)c(F)c1 ZINC001015632719 765104341 /nfs/dbraw/zinc/10/43/41/765104341.db2.gz BDJJVNUQHLVHLF-TZMCWYRMSA-N 1 2 331.351 0.069 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001015713461 765217492 /nfs/dbraw/zinc/21/74/92/765217492.db2.gz OHMVPNBAUNIHTN-AWEZNQCLSA-N 1 2 337.383 0.990 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001015713461 765217496 /nfs/dbraw/zinc/21/74/96/765217496.db2.gz OHMVPNBAUNIHTN-AWEZNQCLSA-N 1 2 337.383 0.990 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000992037338 765237107 /nfs/dbraw/zinc/23/71/07/765237107.db2.gz CJYQOYJFRGMFAI-NHIYQJMISA-N 1 2 344.415 0.821 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000992037338 765237112 /nfs/dbraw/zinc/23/71/12/765237112.db2.gz CJYQOYJFRGMFAI-NHIYQJMISA-N 1 2 344.415 0.821 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cnn(C)n3)CC2)cn1 ZINC001052877035 765282249 /nfs/dbraw/zinc/28/22/49/765282249.db2.gz AIOGJWCGHJUXEO-MRXNPFEDSA-N 1 2 338.415 0.976 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cnn(C)n3)CC2)cn1 ZINC001052877035 765282256 /nfs/dbraw/zinc/28/22/56/765282256.db2.gz AIOGJWCGHJUXEO-MRXNPFEDSA-N 1 2 338.415 0.976 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)nn1 ZINC001015813276 765372323 /nfs/dbraw/zinc/37/23/23/765372323.db2.gz OCNPEEXXQAVBOL-CQSZACIVSA-N 1 2 346.435 0.281 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCCCC3)C2)nn1 ZINC001015813276 765372332 /nfs/dbraw/zinc/37/23/32/765372332.db2.gz OCNPEEXXQAVBOL-CQSZACIVSA-N 1 2 346.435 0.281 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3nc(C)oc3C)C2)C1=O ZINC001015898189 765512786 /nfs/dbraw/zinc/51/27/86/765512786.db2.gz KXMUIPSWFLNMSH-UONOGXRCSA-N 1 2 332.404 0.882 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3nc(C)oc3C)C2)C1=O ZINC001015898189 765512789 /nfs/dbraw/zinc/51/27/89/765512789.db2.gz KXMUIPSWFLNMSH-UONOGXRCSA-N 1 2 332.404 0.882 20 30 ECEDLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1CNC(=O)C#CC1CC1 ZINC001053073833 765547853 /nfs/dbraw/zinc/54/78/53/765547853.db2.gz LHGRYFPJDPHOKA-GDBMZVCRSA-N 1 2 328.416 0.897 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)ncn3)C[C@H]2O)cc1 ZINC001077493995 765602192 /nfs/dbraw/zinc/60/21/92/765602192.db2.gz VFKAKSFEKPPRPF-QZTJIDSGSA-N 1 2 336.395 0.741 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)ncn3)C[C@H]2O)cc1 ZINC001077493995 765602200 /nfs/dbraw/zinc/60/22/00/765602200.db2.gz VFKAKSFEKPPRPF-QZTJIDSGSA-N 1 2 336.395 0.741 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cc3nc[nH]n3)C2)cc1F ZINC001015968069 765636338 /nfs/dbraw/zinc/63/63/38/765636338.db2.gz PQJCGSFWEMSRFB-ZDUSSCGKSA-N 1 2 328.351 0.749 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Cc3nc[nH]n3)C2)cc1F ZINC001015968069 765636341 /nfs/dbraw/zinc/63/63/41/765636341.db2.gz PQJCGSFWEMSRFB-ZDUSSCGKSA-N 1 2 328.351 0.749 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001077497968 765705198 /nfs/dbraw/zinc/70/51/98/765705198.db2.gz BKKRVIRJXQZHPP-IMJJTQAJSA-N 1 2 348.447 0.955 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001077498634 765717748 /nfs/dbraw/zinc/71/77/48/765717748.db2.gz SZBQERUWBBLQFU-QRTARXTBSA-N 1 2 348.447 0.955 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001016018976 765725653 /nfs/dbraw/zinc/72/56/53/765725653.db2.gz MWACOPQTZAKCIK-OLZOCXBDSA-N 1 2 330.388 0.032 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001016018976 765725657 /nfs/dbraw/zinc/72/56/57/765725657.db2.gz MWACOPQTZAKCIK-OLZOCXBDSA-N 1 2 330.388 0.032 20 30 ECEDLO N#Cc1cccnc1NC[C@H](O)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001106105456 765762801 /nfs/dbraw/zinc/76/28/01/765762801.db2.gz UMSSYOYWYYHFNA-STQMWFEESA-N 1 2 340.387 0.685 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OCC(N)=O)cc1 ZINC001017720024 768322311 /nfs/dbraw/zinc/32/23/11/768322311.db2.gz VQLBGVVQIDYPGJ-IYBDPMFKSA-N 1 2 341.411 0.863 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OCC(N)=O)cc1 ZINC001017720024 768322319 /nfs/dbraw/zinc/32/23/19/768322319.db2.gz VQLBGVVQIDYPGJ-IYBDPMFKSA-N 1 2 341.411 0.863 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1OCC(N)=O ZINC001017720969 768322938 /nfs/dbraw/zinc/32/29/38/768322938.db2.gz KROXBEONUULEAY-GASCZTMLSA-N 1 2 341.411 0.863 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1OCC(N)=O ZINC001017720969 768322945 /nfs/dbraw/zinc/32/29/45/768322945.db2.gz KROXBEONUULEAY-GASCZTMLSA-N 1 2 341.411 0.863 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3nc(C)n(C)c3c2)C1 ZINC001077504929 765904958 /nfs/dbraw/zinc/90/49/58/765904958.db2.gz FNSWNTGFDUVPQE-NVXWUHKLSA-N 1 2 326.400 0.680 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3nc(C)n(C)c3c2)C1 ZINC001077504929 765904960 /nfs/dbraw/zinc/90/49/60/765904960.db2.gz FNSWNTGFDUVPQE-NVXWUHKLSA-N 1 2 326.400 0.680 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CCc1c(C)nc[nH]c1=O)CCO2 ZINC001053325775 765975752 /nfs/dbraw/zinc/97/57/52/765975752.db2.gz AWEGEYHNOYNFRD-UHFFFAOYSA-N 1 2 346.431 0.913 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccoc2CC)[C@H](OC)C1 ZINC001212196472 766151537 /nfs/dbraw/zinc/15/15/37/766151537.db2.gz UGJLBLQDITXAJM-JGGQBBKZSA-N 1 2 349.431 0.962 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccoc2CC)[C@H](OC)C1 ZINC001212196472 766151544 /nfs/dbraw/zinc/15/15/44/766151544.db2.gz UGJLBLQDITXAJM-JGGQBBKZSA-N 1 2 349.431 0.962 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cnc3cccnn31)CCO2 ZINC001053460091 766168296 /nfs/dbraw/zinc/16/82/96/766168296.db2.gz PJWBYQBAPWNBAE-UHFFFAOYSA-N 1 2 327.388 0.832 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cn([C@H]3CCOC3)nn1)CCO2 ZINC001053499700 766239458 /nfs/dbraw/zinc/23/94/58/766239458.db2.gz CGSHAXUATLNRJY-AWEZNQCLSA-N 1 2 347.419 0.342 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001016419976 766265828 /nfs/dbraw/zinc/26/58/28/766265828.db2.gz ZVFJDGSJCLHVEG-UHFFFAOYSA-N 1 2 340.387 0.582 20 30 ECEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001017782791 768365930 /nfs/dbraw/zinc/36/59/30/768365930.db2.gz LSTYWTWNDLPMSF-TXEJJXNPSA-N 1 2 328.380 0.169 20 30 ECEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001017782791 768365936 /nfs/dbraw/zinc/36/59/36/768365936.db2.gz LSTYWTWNDLPMSF-TXEJJXNPSA-N 1 2 328.380 0.169 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3COC(=O)N3)C2)c(F)c1 ZINC001031648126 766335595 /nfs/dbraw/zinc/33/55/95/766335595.db2.gz WQERSKRPJQJQKQ-AWEZNQCLSA-N 1 2 332.335 0.354 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnc(C)nc1OC)O2 ZINC001053608691 766424236 /nfs/dbraw/zinc/42/42/36/766424236.db2.gz IMNOPBNIRBKKQT-CYBMUJFWSA-N 1 2 332.404 0.943 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1nc(C)c(C)[nH]c1=O)O2 ZINC001053616237 766441015 /nfs/dbraw/zinc/44/10/15/766441015.db2.gz YEIULDLJNITXRT-ZDUSSCGKSA-N 1 2 332.404 0.948 20 30 ECEDLO C#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCc3[nH+]ccn3C1)O2 ZINC001053618923 766446980 /nfs/dbraw/zinc/44/69/80/766446980.db2.gz GHTGIGWZAOQWAX-GJZGRUSLSA-N 1 2 328.416 0.428 20 30 ECEDLO C=CCOCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001053652938 766518427 /nfs/dbraw/zinc/51/84/27/766518427.db2.gz PUPCPCHOOFGXFF-MUJYYYPQSA-N 1 2 346.431 0.972 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC(=O)N(CCC)C1)O2 ZINC001053670574 766550074 /nfs/dbraw/zinc/55/00/74/766550074.db2.gz QUFQZUCEPXNFRZ-GJZGRUSLSA-N 1 2 335.448 0.781 20 30 ECEDLO C[C@@H](CC(=O)NC[C@H](O)CNc1ccc(C#N)cn1)n1cc[nH+]c1 ZINC001106131417 766578846 /nfs/dbraw/zinc/57/88/46/766578846.db2.gz ATTZYTRBXOBGTF-GXTWGEPZSA-N 1 2 328.376 0.690 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)O2 ZINC001053696465 766609966 /nfs/dbraw/zinc/60/99/66/766609966.db2.gz JMFUREGTKDPQEP-HNNXBMFYSA-N 1 2 329.400 0.935 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CN(CC)CCO1)O2 ZINC001053699352 766617278 /nfs/dbraw/zinc/61/72/78/766617278.db2.gz DFXLEENMCDQQAP-CVEARBPZSA-N 1 2 337.464 0.633 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCC(=O)N(C)C1)O2 ZINC001053701042 766622345 /nfs/dbraw/zinc/62/23/45/766622345.db2.gz KTHSZNQMTBPSDH-CABCVRRESA-N 1 2 335.448 0.781 20 30 ECEDLO CCn1ncc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)n1 ZINC001046011692 766637323 /nfs/dbraw/zinc/63/73/23/766637323.db2.gz GBSWXMRKWAGTFX-GOEBONIOSA-N 1 2 345.451 0.176 20 30 ECEDLO CCn1ncc(C[N@H+]2CC[C@@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)n1 ZINC001046011692 766637327 /nfs/dbraw/zinc/63/73/27/766637327.db2.gz GBSWXMRKWAGTFX-GOEBONIOSA-N 1 2 345.451 0.176 20 30 ECEDLO Cc1noc(C[N@H+]2CC[C@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)n1 ZINC001046012837 766641629 /nfs/dbraw/zinc/64/16/29/766641629.db2.gz QJYUNGPLMQVYRW-OCCSQVGLSA-N 1 2 332.408 0.256 20 30 ECEDLO Cc1noc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)n1 ZINC001046012837 766641631 /nfs/dbraw/zinc/64/16/31/766641631.db2.gz QJYUNGPLMQVYRW-OCCSQVGLSA-N 1 2 332.408 0.256 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)nc2)C[C@H]1OC ZINC001212262278 766679690 /nfs/dbraw/zinc/67/96/90/766679690.db2.gz JYFJMPFVQWWHBD-HZPDHXFCSA-N 1 2 332.404 0.140 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)nc2)C[C@H]1OC ZINC001212262278 766679697 /nfs/dbraw/zinc/67/96/97/766679697.db2.gz JYFJMPFVQWWHBD-HZPDHXFCSA-N 1 2 332.404 0.140 20 30 ECEDLO CC(C)n1nccc1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046032211 766703844 /nfs/dbraw/zinc/70/38/44/766703844.db2.gz FRKGUPNRBSLOPT-OAHLLOKOSA-N 1 2 330.436 0.820 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@@H]2O)C1 ZINC001083763640 766723138 /nfs/dbraw/zinc/72/31/38/766723138.db2.gz UJZZKVAEMZQDFT-PMPSAXMXSA-N 1 2 347.459 0.657 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@@H]2O)C1 ZINC001083763640 766723144 /nfs/dbraw/zinc/72/31/44/766723144.db2.gz UJZZKVAEMZQDFT-PMPSAXMXSA-N 1 2 347.459 0.657 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cc4cccn4cn3)CC2)C1 ZINC001046038013 766736931 /nfs/dbraw/zinc/73/69/31/766736931.db2.gz FSTVSHZQJQRVLN-MRXNPFEDSA-N 1 2 338.415 0.690 20 30 ECEDLO COc1ccncc1CC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046039308 766742568 /nfs/dbraw/zinc/74/25/68/766742568.db2.gz VPIKUVCPNOPVOH-INIZCTEOSA-N 1 2 343.431 0.375 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3Cc4ccccc4O3)CC2)C1 ZINC001046041408 766752091 /nfs/dbraw/zinc/75/20/91/766752091.db2.gz IIDJDDUQEHSLLT-WMZOPIPTSA-N 1 2 340.427 0.732 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[C@@H]3C)[C@@H](O)C2)cc1C#N ZINC001083704625 766756875 /nfs/dbraw/zinc/75/68/75/766756875.db2.gz XNGCQNSFKBPVRD-KSYCFECVSA-N 1 2 329.400 0.884 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[C@@H]3C)[C@@H](O)C2)cc1C#N ZINC001083704625 766756882 /nfs/dbraw/zinc/75/68/82/766756882.db2.gz XNGCQNSFKBPVRD-KSYCFECVSA-N 1 2 329.400 0.884 20 30 ECEDLO CCc1c(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)nnn1CC ZINC001046063448 766838371 /nfs/dbraw/zinc/83/83/71/766838371.db2.gz ZLOIZGYTBIMURB-AWEZNQCLSA-N 1 2 345.451 0.216 20 30 ECEDLO CC(C)(C)n1cnc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)n1 ZINC001046064812 766846879 /nfs/dbraw/zinc/84/68/79/766846879.db2.gz VIHQTRVBCORUBW-AWEZNQCLSA-N 1 2 345.451 0.389 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)COc3cccnc3)CC2)C1 ZINC001046071811 766879066 /nfs/dbraw/zinc/87/90/66/766879066.db2.gz NNZQINXFMWXIAE-HNNXBMFYSA-N 1 2 329.404 0.202 20 30 ECEDLO CCn1ncc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)c1C ZINC001046073734 766887327 /nfs/dbraw/zinc/88/73/27/766887327.db2.gz LCSCFALWCHAOIF-HNNXBMFYSA-N 1 2 330.436 0.567 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(OC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000994824347 766895216 /nfs/dbraw/zinc/89/52/16/766895216.db2.gz DOMJRPOMRHTKRA-GFCCVEGCSA-N 1 2 345.403 0.330 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H](O)CNc2cc[nH+]c(C)n2)nn1 ZINC001106134845 766897991 /nfs/dbraw/zinc/89/79/91/766897991.db2.gz HSADSCAZKPXVLB-LBPRGKRZSA-N 1 2 331.380 0.155 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccnc3[nH]cnc31)CO2 ZINC001053818826 766927764 /nfs/dbraw/zinc/92/77/64/766927764.db2.gz YUJDBBUEEGOWEE-LBPRGKRZSA-N 1 2 325.372 0.554 20 30 ECEDLO Cc1cnn(CCC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)c1 ZINC001046086975 766929821 /nfs/dbraw/zinc/92/98/21/766929821.db2.gz SXNKUEGMKXTPEE-INIZCTEOSA-N 1 2 330.436 0.324 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc(C)nc1OC)CO2 ZINC001053824072 766945094 /nfs/dbraw/zinc/94/50/94/766945094.db2.gz VNCJSMGBKVEJGO-CYBMUJFWSA-N 1 2 332.404 0.943 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3snnc3C)C2)C1=O ZINC001046132447 766965438 /nfs/dbraw/zinc/96/54/38/766965438.db2.gz GWXORRSRDMZKEW-BLLLJJGKSA-N 1 2 349.460 0.828 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3snnc3C)C2)C1=O ZINC001046132447 766965445 /nfs/dbraw/zinc/96/54/45/766965445.db2.gz GWXORRSRDMZKEW-BLLLJJGKSA-N 1 2 349.460 0.828 20 30 ECEDLO CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001089674692 767000431 /nfs/dbraw/zinc/00/04/31/767000431.db2.gz QDCIQKNXEAIAIA-LLVKDONJSA-N 1 2 327.392 0.954 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1COC3(CN(CC#N)C3)C1)C2 ZINC001053851314 767019029 /nfs/dbraw/zinc/01/90/29/767019029.db2.gz PRKJBCOSPWPNRP-CHWSQXEVSA-N 1 2 329.404 0.306 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1COC3(CN(CC#N)C3)C1)CC2 ZINC001053851314 767019041 /nfs/dbraw/zinc/01/90/41/767019041.db2.gz PRKJBCOSPWPNRP-CHWSQXEVSA-N 1 2 329.404 0.306 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](Cc1cnn(C)n1)CC2 ZINC001016837414 767022876 /nfs/dbraw/zinc/02/28/76/767022876.db2.gz QYVMIEYRVIVFAH-PMPSAXMXSA-N 1 2 345.447 0.877 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](Cc1ncnn1C)CC2 ZINC001016837496 767023274 /nfs/dbraw/zinc/02/32/74/767023274.db2.gz UFKWTVQARMDAIX-QLFBSQMISA-N 1 2 345.447 0.877 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCn3ccnc3C1)CO2 ZINC001053852696 767024649 /nfs/dbraw/zinc/02/46/49/767024649.db2.gz ORQKXCFTJDEEFO-LSDHHAIUSA-N 1 2 328.416 0.428 20 30 ECEDLO N#Cc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@@H](O)C2)ccc1F ZINC001083709348 767083108 /nfs/dbraw/zinc/08/31/08/767083108.db2.gz LAKOULWUFDPAQL-FITYOTRXSA-N 1 2 345.374 0.251 20 30 ECEDLO N#Cc1cc(C[N@H+]2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@@H](O)C2)ccc1F ZINC001083709348 767083118 /nfs/dbraw/zinc/08/31/18/767083118.db2.gz LAKOULWUFDPAQL-FITYOTRXSA-N 1 2 345.374 0.251 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)CO2 ZINC001053880257 767135240 /nfs/dbraw/zinc/13/52/40/767135240.db2.gz MMMIUWPVJUIMDV-XUWVNRHRSA-N 1 2 336.432 0.574 20 30 ECEDLO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001046311747 767141079 /nfs/dbraw/zinc/14/10/79/767141079.db2.gz LDJVQTPSTIEMRI-UHFFFAOYSA-N 1 2 346.431 0.709 20 30 ECEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1OC ZINC001212321159 767214231 /nfs/dbraw/zinc/21/42/31/767214231.db2.gz UOLCFNXITPCKHO-RBSFLKMASA-N 1 2 349.431 0.375 20 30 ECEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1OC ZINC001212321159 767214232 /nfs/dbraw/zinc/21/42/32/767214232.db2.gz UOLCFNXITPCKHO-RBSFLKMASA-N 1 2 349.431 0.375 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC)C[C@H]1OC ZINC001212337601 767253701 /nfs/dbraw/zinc/25/37/01/767253701.db2.gz WJCRTCKNBMINQT-YUSALJHKSA-N 1 2 331.844 0.715 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC)C[C@H]1OC ZINC001212337601 767253703 /nfs/dbraw/zinc/25/37/03/767253703.db2.gz WJCRTCKNBMINQT-YUSALJHKSA-N 1 2 331.844 0.715 20 30 ECEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NCCC)C[C@H]1OC ZINC001212339118 767260582 /nfs/dbraw/zinc/26/05/82/767260582.db2.gz XTCSURRDTTYPTO-ZIAGYGMSSA-N 1 2 325.453 0.930 20 30 ECEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NCCC)C[C@H]1OC ZINC001212339118 767260584 /nfs/dbraw/zinc/26/05/84/767260584.db2.gz XTCSURRDTTYPTO-ZIAGYGMSSA-N 1 2 325.453 0.930 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC(=O)N1C(C)C)CO2 ZINC001053903912 767309520 /nfs/dbraw/zinc/30/95/20/767309520.db2.gz AOABJZKNZIMKFR-GJZGRUSLSA-N 1 2 333.432 0.369 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1ccnc(OC)c1)CO2 ZINC001053924219 767372210 /nfs/dbraw/zinc/37/22/10/767372210.db2.gz NUXPRXUXPMWLNK-HNNXBMFYSA-N 1 2 329.400 0.616 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3cnc(C)cn3)C2)nn1 ZINC001046682093 767472628 /nfs/dbraw/zinc/47/26/28/767472628.db2.gz VUVGIBJOXSWGCN-KRWDZBQOSA-N 1 2 341.419 0.957 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@H+](Cc3cnc(C)cn3)C2)nn1 ZINC001046682093 767472634 /nfs/dbraw/zinc/47/26/34/767472634.db2.gz VUVGIBJOXSWGCN-KRWDZBQOSA-N 1 2 341.419 0.957 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@]1(C)CCN(C(C)=O)C1)CO2 ZINC001053976888 767508939 /nfs/dbraw/zinc/50/89/39/767508939.db2.gz JLMLVEBHJZIIOX-DOTOQJQBSA-N 1 2 333.432 0.228 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1nccn3cc(C)nc13)CO2 ZINC001053977315 767511368 /nfs/dbraw/zinc/51/13/68/767511368.db2.gz SDNQYPCTWTWHRH-AWEZNQCLSA-N 1 2 339.399 0.634 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3n[nH]cc3C1)CO2 ZINC001053981336 767521572 /nfs/dbraw/zinc/52/15/72/767521572.db2.gz IEGSKFXSVSNLLN-ZFWWWQNUSA-N 1 2 328.416 0.497 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CCN(C(C)=O)CC1)CO2 ZINC001054004022 767570753 /nfs/dbraw/zinc/57/07/53/767570753.db2.gz FNUNIPKXXLBMPT-MRXNPFEDSA-N 1 2 333.432 0.228 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)N1CCCCC1=O)CO2 ZINC001054016391 767606159 /nfs/dbraw/zinc/60/61/59/767606159.db2.gz BNZQRKXGNVDMAR-HUUCEWRRSA-N 1 2 335.448 0.923 20 30 ECEDLO C=CCOc1ccc(CC(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)cc1 ZINC001054017569 767609382 /nfs/dbraw/zinc/60/93/82/767609382.db2.gz FGVYPBBWYDOAMN-MRXNPFEDSA-N 1 2 346.427 0.746 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001054048411 767646760 /nfs/dbraw/zinc/64/67/60/767646760.db2.gz AUGPYBVUXPQQDP-JKSUJKDBSA-N 1 2 326.400 0.186 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001054048411 767646765 /nfs/dbraw/zinc/64/67/65/767646765.db2.gz AUGPYBVUXPQQDP-JKSUJKDBSA-N 1 2 326.400 0.186 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N[C@@H](C)CCNc1ccnc(C#N)n1 ZINC001106642961 768546470 /nfs/dbraw/zinc/54/64/70/768546470.db2.gz UPNXWPGOBKVHJH-LBPRGKRZSA-N 1 2 340.387 0.723 20 30 ECEDLO N#CCSCC(=O)N1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001055182665 768637590 /nfs/dbraw/zinc/63/75/90/768637590.db2.gz CFGSGEPHMZKPCH-BETUJISGSA-N 1 2 333.417 0.057 20 30 ECEDLO C=CCOCC(=O)N1C[C@H]2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001055250904 768709594 /nfs/dbraw/zinc/70/95/94/768709594.db2.gz POAXQCOAOGWYDY-SOUVJXGZSA-N 1 2 346.431 0.708 20 30 ECEDLO C=CCOCC(=O)N1C[C@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001055250904 768709599 /nfs/dbraw/zinc/70/95/99/768709599.db2.gz POAXQCOAOGWYDY-SOUVJXGZSA-N 1 2 346.431 0.708 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@]2(C)CCOC2)C1=O ZINC001018110702 768739606 /nfs/dbraw/zinc/73/96/06/768739606.db2.gz IYRMBHGNQDPCEI-CYJAXWMASA-N 1 2 347.459 0.875 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@]2(C)CCOC2)C1=O ZINC001018110702 768739611 /nfs/dbraw/zinc/73/96/11/768739611.db2.gz IYRMBHGNQDPCEI-CYJAXWMASA-N 1 2 347.459 0.875 20 30 ECEDLO N#Cc1ccc(N[C@@H]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]23)nn1 ZINC001060558502 768822501 /nfs/dbraw/zinc/82/25/01/768822501.db2.gz ZPIMPWQNTPIRMC-BYCMXARLSA-N 1 2 337.387 0.963 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC001055379768 768836586 /nfs/dbraw/zinc/83/65/86/768836586.db2.gz RLCFRVLWGLFGNL-SOUVJXGZSA-N 1 2 346.431 0.769 20 30 ECEDLO N#Cc1cnc(N2C[C@@H]3CCC[C@]3(NC(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC001055550506 769093340 /nfs/dbraw/zinc/09/33/40/769093340.db2.gz LXIFJRHROOBOTK-SJCJKPOMSA-N 1 2 337.387 0.789 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H]1C ZINC000993511229 769175737 /nfs/dbraw/zinc/17/57/37/769175737.db2.gz MSZIVZVYXJOTHN-NWDGAFQWSA-N 1 2 327.816 0.303 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H]1C ZINC000993511229 769175743 /nfs/dbraw/zinc/17/57/43/769175743.db2.gz MSZIVZVYXJOTHN-NWDGAFQWSA-N 1 2 327.816 0.303 20 30 ECEDLO N#Cc1cnc(N2C[C@@H]3CCC[C@]3(NC(=O)Cc3c[nH]c[nH+]3)C2)cn1 ZINC001055584087 769183075 /nfs/dbraw/zinc/18/30/75/769183075.db2.gz JOLMALOQNZWLLF-SJCJKPOMSA-N 1 2 337.387 0.789 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@@H]3CCOC3)C2)CC1 ZINC001018359139 769188151 /nfs/dbraw/zinc/18/81/51/769188151.db2.gz ZOLBGJXUGNVVLX-JKSUJKDBSA-N 1 2 335.448 0.592 20 30 ECEDLO C[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001018364858 769206661 /nfs/dbraw/zinc/20/66/61/769206661.db2.gz UCPDFGLJBKNSSA-AAEUAGOBSA-N 1 2 340.387 0.961 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NCC[NH+]1CCC(NC(=O)c2ncn[nH]2)CC1 ZINC001055619794 769269318 /nfs/dbraw/zinc/26/93/18/769269318.db2.gz CPYLBPOWBVBGKJ-ZDUSSCGKSA-N 1 2 348.451 0.717 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NCC[NH+]1CCC(NC(=O)c2nc[nH]n2)CC1 ZINC001055619794 769269326 /nfs/dbraw/zinc/26/93/26/769269326.db2.gz CPYLBPOWBVBGKJ-ZDUSSCGKSA-N 1 2 348.451 0.717 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)[C@@H]1C ZINC000993573182 769272641 /nfs/dbraw/zinc/27/26/41/769272641.db2.gz SVAMYFCLBAGTIW-HOCLYGCPSA-N 1 2 332.448 0.977 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)[C@@H]1C ZINC000993573182 769272649 /nfs/dbraw/zinc/27/26/49/769272649.db2.gz SVAMYFCLBAGTIW-HOCLYGCPSA-N 1 2 332.448 0.977 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NCC[NH+]1CCC(NC(=O)c2cnn[nH]2)CC1 ZINC001055635904 769318464 /nfs/dbraw/zinc/31/84/64/769318464.db2.gz MLESIDWHFKGLGU-QGZVFWFLSA-N 1 2 348.451 0.717 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)c2ccoc2)C1 ZINC000993634502 769391632 /nfs/dbraw/zinc/39/16/32/769391632.db2.gz XPCZLYHINZHUEC-IACUBPJLSA-N 1 2 341.371 0.897 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)c2cc[nH]c2)C1 ZINC000993629053 769440347 /nfs/dbraw/zinc/44/03/47/769440347.db2.gz ALUVWWQITDAJKA-MRVWCRGKSA-N 1 2 340.387 0.632 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2nc(C(F)F)no2)C1 ZINC001078358130 782767340 /nfs/dbraw/zinc/76/73/40/782767340.db2.gz KECIRPSMDBOHKD-ZJUUUORDSA-N 1 2 343.334 0.874 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2nc(C(F)F)no2)C1 ZINC001078358128 782767569 /nfs/dbraw/zinc/76/75/69/782767569.db2.gz KECIRPSMDBOHKD-UWVGGRQHSA-N 1 2 343.334 0.874 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)C(F)C(F)(F)F)C2)CC1 ZINC000993855263 769763120 /nfs/dbraw/zinc/76/31/20/769763120.db2.gz NEJANTXXNXUBRY-LBPRGKRZSA-N 1 2 349.328 0.559 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)[C@H](F)C(F)(F)F)C2)CC1 ZINC000993855263 769763129 /nfs/dbraw/zinc/76/31/29/769763129.db2.gz NEJANTXXNXUBRY-LBPRGKRZSA-N 1 2 349.328 0.559 20 30 ECEDLO C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001055823640 769857474 /nfs/dbraw/zinc/85/74/74/769857474.db2.gz HKLWGMCHCROYNH-KRWDZBQOSA-N 1 2 334.420 0.697 20 30 ECEDLO C#CC[N@H+]1CC[C@H]2CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C[C@@H]21 ZINC001042113876 782795772 /nfs/dbraw/zinc/79/57/72/782795772.db2.gz DVOYHODIFMRIHT-ZFWWWQNUSA-N 1 2 336.457 0.367 20 30 ECEDLO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C[C@@H]21 ZINC001042113876 782795781 /nfs/dbraw/zinc/79/57/81/782795781.db2.gz DVOYHODIFMRIHT-ZFWWWQNUSA-N 1 2 336.457 0.367 20 30 ECEDLO Cc1cc(C#N)nc(N2CCN(C(=O)Cc3c[nH+]cn3C)CC2)n1 ZINC001055860273 770006550 /nfs/dbraw/zinc/00/65/50/770006550.db2.gz PTVDGBQUOCRSTA-UHFFFAOYSA-N 1 2 325.376 0.282 20 30 ECEDLO N#Cc1nccnc1N1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001055954874 770356026 /nfs/dbraw/zinc/35/60/26/770356026.db2.gz GBDNKGLIBNGUHD-UHFFFAOYSA-N 1 2 333.355 0.958 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cnnn3C)[C@@H]2C)cn1 ZINC000994236868 770369810 /nfs/dbraw/zinc/36/98/10/770369810.db2.gz DBXUKJICKMYCRA-CXAGYDPISA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cnnn3C)[C@@H]2C)cn1 ZINC000994236868 770369819 /nfs/dbraw/zinc/36/98/19/770369819.db2.gz DBXUKJICKMYCRA-CXAGYDPISA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cnnn3C)[C@@H]2C)cn1 ZINC000994236871 770370890 /nfs/dbraw/zinc/37/08/90/770370890.db2.gz DBXUKJICKMYCRA-DYVFJYSZSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cnnn3C)[C@@H]2C)cn1 ZINC000994236871 770370898 /nfs/dbraw/zinc/37/08/98/770370898.db2.gz DBXUKJICKMYCRA-DYVFJYSZSA-N 1 2 338.415 0.974 20 30 ECEDLO CCc1nc(C#N)cc(N2CCN(C(=O)CCn3cc[nH+]c3)CC2)n1 ZINC001055968361 770396443 /nfs/dbraw/zinc/39/64/43/770396443.db2.gz WQKJXBZKEISPMC-UHFFFAOYSA-N 1 2 339.403 0.846 20 30 ECEDLO C=CCCC(=O)N1CCC[C@](CO)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001055986872 770457963 /nfs/dbraw/zinc/45/79/63/770457963.db2.gz JKPRAFIESFDSGZ-KRWDZBQOSA-N 1 2 334.420 0.778 20 30 ECEDLO C=CCCC(=O)N1CCC[C@](CO)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001055986872 770457965 /nfs/dbraw/zinc/45/79/65/770457965.db2.gz JKPRAFIESFDSGZ-KRWDZBQOSA-N 1 2 334.420 0.778 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2cn(CC)nn2)C1 ZINC001018986184 770485750 /nfs/dbraw/zinc/48/57/50/770485750.db2.gz UQAFNMOOCHPUSA-HOCLYGCPSA-N 1 2 330.436 0.086 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2cn(CC)nn2)C1 ZINC001018986184 770485753 /nfs/dbraw/zinc/48/57/53/770485753.db2.gz UQAFNMOOCHPUSA-HOCLYGCPSA-N 1 2 330.436 0.086 20 30 ECEDLO CCn1nncc1C[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001007159421 770557971 /nfs/dbraw/zinc/55/79/71/770557971.db2.gz ZFMUIWZBZYRYIY-CYBMUJFWSA-N 1 2 327.392 0.892 20 30 ECEDLO CCn1nncc1C[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001007159421 770557973 /nfs/dbraw/zinc/55/79/73/770557973.db2.gz ZFMUIWZBZYRYIY-CYBMUJFWSA-N 1 2 327.392 0.892 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N[C@@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001056064842 770723781 /nfs/dbraw/zinc/72/37/81/770723781.db2.gz GNNUXSSJTZSWQU-YJBOKZPZSA-N 1 2 348.447 0.955 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N[C@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001056065844 770726137 /nfs/dbraw/zinc/72/61/37/770726137.db2.gz PMAIIMDXJWRHEC-MAUKXSAKSA-N 1 2 348.447 0.955 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N1CCN(c2cnc(C#N)cn2)CC1 ZINC001056068219 770735035 /nfs/dbraw/zinc/73/50/35/770735035.db2.gz RBHLZTMPGDPAIP-UHFFFAOYSA-N 1 2 338.371 0.643 20 30 ECEDLO Cc1cc(C#N)nc(N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)n1 ZINC001056069133 770739030 /nfs/dbraw/zinc/73/90/30/770739030.db2.gz CMSDOBREYPOZGX-ZIAGYGMSSA-N 1 2 337.387 0.832 20 30 ECEDLO Cc1cc(C#N)nc(N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)n1 ZINC001056069133 770739036 /nfs/dbraw/zinc/73/90/36/770739036.db2.gz CMSDOBREYPOZGX-ZIAGYGMSSA-N 1 2 337.387 0.832 20 30 ECEDLO C=CCCCC(=O)N[C@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001056084885 770793624 /nfs/dbraw/zinc/79/36/24/770793624.db2.gz ARJBDJQRXNGJFI-QGZVFWFLSA-N 1 2 334.420 0.778 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001019134498 770892154 /nfs/dbraw/zinc/89/21/54/770892154.db2.gz NNZMANCTRRUIHI-UONOGXRCSA-N 1 2 341.415 0.666 20 30 ECEDLO CC(C)(C)C#CC(=O)N1CCC[C@@](CO)(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001056165651 770973344 /nfs/dbraw/zinc/97/33/44/770973344.db2.gz WBXGKCQWZVLQMB-GOSISDBHSA-N 1 2 346.431 0.471 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC3(CN(C(=O)Cc4[nH]cc[nH+]4)C3)C2)cn1 ZINC001019332931 771169067 /nfs/dbraw/zinc/16/90/67/771169067.db2.gz FEUKEQCSZOMHEQ-UHFFFAOYSA-N 1 2 349.394 0.703 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC001056370966 771190687 /nfs/dbraw/zinc/19/06/87/771190687.db2.gz QPEKKWRKFJRVSZ-RKVPGOIHSA-N 1 2 346.431 0.802 20 30 ECEDLO C#CCCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001056372542 771193286 /nfs/dbraw/zinc/19/32/86/771193286.db2.gz AOSUMYLAICRZCI-IXDOHACOSA-N 1 2 347.459 0.712 20 30 ECEDLO C#CCCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001056372542 771193288 /nfs/dbraw/zinc/19/32/88/771193288.db2.gz AOSUMYLAICRZCI-IXDOHACOSA-N 1 2 347.459 0.712 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3COCCO3)C2)cc1F ZINC001031555037 771272230 /nfs/dbraw/zinc/27/22/30/771272230.db2.gz ORIKTXYZFSJORC-MRXNPFEDSA-N 1 2 333.363 0.661 20 30 ECEDLO Cc1c(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)nnn1C ZINC001031592378 771357686 /nfs/dbraw/zinc/35/76/86/771357686.db2.gz JLSGYHGEBHEDJD-UHFFFAOYSA-N 1 2 342.378 0.996 20 30 ECEDLO C=CCn1cc(C(=O)N(C)CCOCCNc2cc[nH+]c(C)n2)nn1 ZINC001127511420 771406880 /nfs/dbraw/zinc/40/68/80/771406880.db2.gz TULUPNAAXLVBKK-UHFFFAOYSA-N 1 2 345.407 0.763 20 30 ECEDLO Cc1nc(N(C)C)nc(N[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)[nH+]1 ZINC001056602591 771421272 /nfs/dbraw/zinc/42/12/72/771421272.db2.gz YXTIFWITJBOUCQ-GFCCVEGCSA-N 1 2 340.391 0.772 20 30 ECEDLO N#Cc1cncc(N2CCCO[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001089549694 771458355 /nfs/dbraw/zinc/45/83/55/771458355.db2.gz YEATUOZVNMYWJW-CYBMUJFWSA-N 1 2 341.375 0.026 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CCC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001056656376 771476123 /nfs/dbraw/zinc/47/61/23/771476123.db2.gz DERNXVZTBKAPSC-JCKWVBRZSA-N 1 2 346.431 0.729 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001056683035 771510645 /nfs/dbraw/zinc/51/06/45/771510645.db2.gz YRLJNXFIQJPRBK-HRCADAONSA-N 1 2 346.431 0.924 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H](n2cc(C[NH2+]Cc3cnn(C)c3)nn2)C1 ZINC001089580221 771565325 /nfs/dbraw/zinc/56/53/25/771565325.db2.gz OGCVATVJKZFWFE-IUODEOHRSA-N 1 2 342.407 0.234 20 30 ECEDLO CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001057074398 772042032 /nfs/dbraw/zinc/04/20/32/772042032.db2.gz DSRXTAMJHODVQM-AWEZNQCLSA-N 1 2 339.403 0.752 20 30 ECEDLO CN(C)c1nc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)ns1 ZINC001020084766 772138801 /nfs/dbraw/zinc/13/88/01/772138801.db2.gz YOWQHNFTAILNRZ-XYPYZODXSA-N 1 2 345.432 0.854 20 30 ECEDLO C=CCOCC(=O)N(CCO)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001057199010 772260269 /nfs/dbraw/zinc/26/02/69/772260269.db2.gz GXEVTIDLFPNPNU-UHFFFAOYSA-N 1 2 346.387 0.088 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2nnc(C)[nH]2)C1 ZINC001020250662 772351074 /nfs/dbraw/zinc/35/10/74/772351074.db2.gz KYIXSCQMONIZFK-MXAVVETBSA-N 1 2 330.436 0.509 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2nnc(C)[nH]2)C1 ZINC001020250662 772351077 /nfs/dbraw/zinc/35/10/77/772351077.db2.gz KYIXSCQMONIZFK-MXAVVETBSA-N 1 2 330.436 0.509 20 30 ECEDLO C#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001057445095 772621969 /nfs/dbraw/zinc/62/19/69/772621969.db2.gz HECCKTUTPDEBHW-AWEZNQCLSA-N 1 2 346.431 0.570 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)CCc1[nH]cc[nH+]1 ZINC001057459897 772646068 /nfs/dbraw/zinc/64/60/68/772646068.db2.gz PEEDGQKALIZZQX-KGLIPLIRSA-N 1 2 336.436 0.738 20 30 ECEDLO N#Cc1nccc(NCC2CCN(C(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001057503496 772691980 /nfs/dbraw/zinc/69/19/80/772691980.db2.gz UKJTWYVHVXQPLJ-UHFFFAOYSA-N 1 2 325.376 0.317 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC(CNc2ccnc(C#N)n2)CC1 ZINC001057508608 772697817 /nfs/dbraw/zinc/69/78/17/772697817.db2.gz RPZQLAILSNZZLG-UHFFFAOYSA-N 1 2 339.403 0.695 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CCC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001057781622 772979598 /nfs/dbraw/zinc/97/95/98/772979598.db2.gz OLNWDRAQAYEPFI-CYBMUJFWSA-N 1 2 339.403 0.539 20 30 ECEDLO C=C(C)CCC(=O)N(CCO)CCNC(=O)Cc1c[nH+]ccc1OC ZINC001057807566 773007973 /nfs/dbraw/zinc/00/79/73/773007973.db2.gz IBWWTBUNGQESGU-UHFFFAOYSA-N 1 2 349.431 0.926 20 30 ECEDLO C=CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001057946962 773250774 /nfs/dbraw/zinc/25/07/74/773250774.db2.gz NONXGMVOKUWTKY-OAHLLOKOSA-N 1 2 348.447 0.739 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001058323271 773974140 /nfs/dbraw/zinc/97/41/40/773974140.db2.gz SXCCMYSOGANJQV-NSHDSACASA-N 1 2 336.359 0.572 20 30 ECEDLO C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)Cc1c[nH+]cn1C ZINC001058469020 774245034 /nfs/dbraw/zinc/24/50/34/774245034.db2.gz XHQMVWJPKLUUPQ-CQSZACIVSA-N 1 2 336.436 0.502 20 30 ECEDLO N#Cc1nccnc1N1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001058481213 774272173 /nfs/dbraw/zinc/27/21/73/774272173.db2.gz MBKLFUCQMGREEI-OLZOCXBDSA-N 1 2 337.387 0.502 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001039831674 783173484 /nfs/dbraw/zinc/17/34/84/783173484.db2.gz ZIGIIGKKUJXWSZ-FZKQIMNGSA-N 1 2 348.447 0.880 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001039831674 783173493 /nfs/dbraw/zinc/17/34/93/783173493.db2.gz ZIGIIGKKUJXWSZ-FZKQIMNGSA-N 1 2 348.447 0.880 20 30 ECEDLO N#Cc1cncc(N2CC[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]32)n1 ZINC001045249390 775231351 /nfs/dbraw/zinc/23/13/51/775231351.db2.gz FISGJHHYFCWUTP-WFASDCNBSA-N 1 2 337.387 0.741 20 30 ECEDLO N#Cc1nccc(N2CC[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]32)n1 ZINC001045249403 775231531 /nfs/dbraw/zinc/23/15/31/775231531.db2.gz FQQFWDDSYDLQEB-JSGCOSHPSA-N 1 2 337.387 0.741 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+]([C@@H](CC)C(N)=O)C[C@@H]2n2ccnn2)C1 ZINC001070018099 790345087 /nfs/dbraw/zinc/34/50/87/790345087.db2.gz SLWAFSJGZIVOIP-RDBSUJKOSA-N 1 2 346.435 0.240 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+]([C@@H](CC)C(N)=O)C[C@@H]2n2ccnn2)C1 ZINC001070018099 790345092 /nfs/dbraw/zinc/34/50/92/790345092.db2.gz SLWAFSJGZIVOIP-RDBSUJKOSA-N 1 2 346.435 0.240 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ocnc2CC)[C@@H](n2ccnn2)C1 ZINC001070022256 790354417 /nfs/dbraw/zinc/35/44/17/790354417.db2.gz FAOGDTLVHMAZNV-KGLIPLIRSA-N 1 2 328.376 0.507 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ocnc2CC)[C@@H](n2ccnn2)C1 ZINC001070022256 790354428 /nfs/dbraw/zinc/35/44/28/790354428.db2.gz FAOGDTLVHMAZNV-KGLIPLIRSA-N 1 2 328.376 0.507 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001044011086 775506493 /nfs/dbraw/zinc/50/64/93/775506493.db2.gz JCVHKQCCERYRHS-MRXNPFEDSA-N 1 2 334.420 0.254 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ocnc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070025811 790369566 /nfs/dbraw/zinc/36/95/66/790369566.db2.gz KZGNLLXYWKMOJK-OLZOCXBDSA-N 1 2 328.376 0.985 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ocnc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070025811 790369577 /nfs/dbraw/zinc/36/95/77/790369577.db2.gz KZGNLLXYWKMOJK-OLZOCXBDSA-N 1 2 328.376 0.985 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001044137488 775768537 /nfs/dbraw/zinc/76/85/37/775768537.db2.gz KUUPLQWYKJFZPM-UHFFFAOYSA-N 1 2 334.420 0.565 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001044141319 775776797 /nfs/dbraw/zinc/77/67/97/775776797.db2.gz LLKFCKZOBUSEJI-AWEZNQCLSA-N 1 2 334.420 0.565 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)[C@@H](n2ccnn2)C1 ZINC001070033849 790397563 /nfs/dbraw/zinc/39/75/63/790397563.db2.gz MYISRFCIVZKAPR-TUVASFSCSA-N 1 2 325.372 0.650 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)[C@@H](n2ccnn2)C1 ZINC001070033849 790397574 /nfs/dbraw/zinc/39/75/74/790397574.db2.gz MYISRFCIVZKAPR-TUVASFSCSA-N 1 2 325.372 0.650 20 30 ECEDLO C#Cc1ccccc1CC(=O)N(C)C1C[NH+](CCN2CCCC2=O)C1 ZINC001044233344 775947836 /nfs/dbraw/zinc/94/78/36/775947836.db2.gz XTUADNUAMJVEQQ-UHFFFAOYSA-N 1 2 339.439 0.975 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)nn2CC)[C@@H](n2ccnn2)C1 ZINC001070043663 790433054 /nfs/dbraw/zinc/43/30/54/790433054.db2.gz AVNKVPXHTHUXAX-ZBFHGGJFSA-N 1 2 341.419 0.482 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)nn2CC)[C@@H](n2ccnn2)C1 ZINC001070043663 790433056 /nfs/dbraw/zinc/43/30/56/790433056.db2.gz AVNKVPXHTHUXAX-ZBFHGGJFSA-N 1 2 341.419 0.482 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H](CNc2ccc(C#N)nn2)C1 ZINC001068506730 790435110 /nfs/dbraw/zinc/43/51/10/790435110.db2.gz VAKWOFOXFXKQJX-AULYBMBSSA-N 1 2 325.376 0.631 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnc(C3CC3)nc2)[C@@H](n2ccnn2)C1 ZINC001070046903 790441929 /nfs/dbraw/zinc/44/19/29/790441929.db2.gz VPNFNFZBXLNAAP-CABCVRRESA-N 1 2 339.403 0.787 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cnc(C3CC3)nc2)[C@@H](n2ccnn2)C1 ZINC001070046903 790441934 /nfs/dbraw/zinc/44/19/34/790441934.db2.gz VPNFNFZBXLNAAP-CABCVRRESA-N 1 2 339.403 0.787 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001079777662 776855092 /nfs/dbraw/zinc/85/50/92/776855092.db2.gz CKFKPCREXKVDJF-CQSZACIVSA-N 1 2 332.404 0.371 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001079793062 776879383 /nfs/dbraw/zinc/87/93/83/776879383.db2.gz QDXVDCDYHDVCCU-CABCVRRESA-N 1 2 346.431 0.932 20 30 ECEDLO C=CCCOCC(=O)N(CC)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001079979599 777185845 /nfs/dbraw/zinc/18/58/45/777185845.db2.gz IPIPBDRDTYHAAH-UHFFFAOYSA-N 1 2 334.420 0.925 20 30 ECEDLO C=CCOCC(=O)N1CC(N(CC)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001079990130 777198221 /nfs/dbraw/zinc/19/82/21/777198221.db2.gz OWRCXWGTDQFKFA-AWEZNQCLSA-N 1 2 346.431 0.707 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cn3ccccc3n2)[C@@H](n2ccnn2)C1 ZINC001070089111 790565387 /nfs/dbraw/zinc/56/53/87/790565387.db2.gz XCJSZVLONUNOSM-ZBFHGGJFSA-N 1 2 349.398 0.604 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cn3ccccc3n2)[C@@H](n2ccnn2)C1 ZINC001070089111 790565393 /nfs/dbraw/zinc/56/53/93/790565393.db2.gz XCJSZVLONUNOSM-ZBFHGGJFSA-N 1 2 349.398 0.604 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001080458664 777890460 /nfs/dbraw/zinc/89/04/60/777890460.db2.gz DRDWWSBJXCFCKL-HGGPSHQYSA-N 1 2 344.390 0.755 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001080458664 777890473 /nfs/dbraw/zinc/89/04/73/777890473.db2.gz DRDWWSBJXCFCKL-HGGPSHQYSA-N 1 2 344.390 0.755 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001043226418 778004152 /nfs/dbraw/zinc/00/41/52/778004152.db2.gz VWEDUNZJXOQQPC-ZDUSSCGKSA-N 1 2 348.447 0.880 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001043226418 778004162 /nfs/dbraw/zinc/00/41/62/778004162.db2.gz VWEDUNZJXOQQPC-ZDUSSCGKSA-N 1 2 348.447 0.880 20 30 ECEDLO Cc1cc(C#N)nc(N[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)n1 ZINC001043227819 778010765 /nfs/dbraw/zinc/01/07/65/778010765.db2.gz PQPDDJMRDLMMTR-BXUZGUMPSA-N 1 2 325.376 0.812 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2c(C)noc2CC)[C@@H](n2ccnn2)C1 ZINC001070095172 790586264 /nfs/dbraw/zinc/58/62/64/790586264.db2.gz ZHEUITONTMGQFM-OLZOCXBDSA-N 1 2 330.392 0.978 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2c(C)noc2CC)[C@@H](n2ccnn2)C1 ZINC001070095172 790586270 /nfs/dbraw/zinc/58/62/70/790586270.db2.gz ZHEUITONTMGQFM-OLZOCXBDSA-N 1 2 330.392 0.978 20 30 ECEDLO C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001043315570 778147135 /nfs/dbraw/zinc/14/71/35/778147135.db2.gz PHTDBRMSPQLECZ-ZIAGYGMSSA-N 1 2 346.431 0.569 20 30 ECEDLO C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001043320089 778152875 /nfs/dbraw/zinc/15/28/75/778152875.db2.gz MLSSTTDZWHVAGO-AWEZNQCLSA-N 1 2 346.431 0.491 20 30 ECEDLO CN(C(=O)[C@H]1CCNC1=O)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001043528617 778475909 /nfs/dbraw/zinc/47/59/09/778475909.db2.gz NMMMAXAJBGGWKP-INIZCTEOSA-N 1 2 342.399 0.368 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C[C@@H]2C=CCC2)C1 ZINC001043650240 778667411 /nfs/dbraw/zinc/66/74/11/778667411.db2.gz SXTFDDSANSIQGN-CVEARBPZSA-N 1 2 345.443 0.130 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C[C@@H]2C=CCC2)C1 ZINC001043650240 778667416 /nfs/dbraw/zinc/66/74/16/778667416.db2.gz SXTFDDSANSIQGN-CVEARBPZSA-N 1 2 345.443 0.130 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001043699339 778742019 /nfs/dbraw/zinc/74/20/19/778742019.db2.gz NOAKKWCEJDOCLJ-HNNXBMFYSA-N 1 2 348.447 0.955 20 30 ECEDLO C=C1CCC(C(=O)N(C)C2C[NH+](C[C@H](O)CN3CCCC3=O)C2)CC1 ZINC001043753083 778815864 /nfs/dbraw/zinc/81/58/64/778815864.db2.gz YROLUIPCZKJLOI-KRWDZBQOSA-N 1 2 349.475 0.859 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CC[C@H](CNC(=O)[C@@H](C)C#N)O2 ZINC001068620946 790731791 /nfs/dbraw/zinc/73/17/91/790731791.db2.gz ULKBOJQVXUPGPP-WCQYABFASA-N 1 2 345.403 0.297 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1C[NH+](CCCN2CCCC2=O)C1 ZINC001042630184 780555079 /nfs/dbraw/zinc/55/50/79/780555079.db2.gz CQEJPYVQDQBDSC-UHFFFAOYSA-N 1 2 329.404 0.655 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CCC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001079093478 780757681 /nfs/dbraw/zinc/75/76/81/780757681.db2.gz RNHJKQXJHPAZNK-GOEBONIOSA-N 1 2 346.431 0.830 20 30 ECEDLO CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001042861948 780956798 /nfs/dbraw/zinc/95/67/98/780956798.db2.gz VWXNAPZGKQFBRE-HZPDHXFCSA-N 1 2 340.387 0.249 20 30 ECEDLO CCN(C(=O)CSCC#N)C1CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001079342018 781005799 /nfs/dbraw/zinc/00/57/99/781005799.db2.gz WPNOGRJNJFPRKS-UHFFFAOYSA-N 1 2 335.433 0.577 20 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781380565 /nfs/dbraw/zinc/38/05/65/781380565.db2.gz QGHZXARKUSKGIO-QZTJIDSGSA-N 1 2 341.411 0.956 20 30 ECEDLO C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)CCn2cc[nH+]c2)cn1 ZINC001077633305 781390420 /nfs/dbraw/zinc/39/04/20/781390420.db2.gz LJMJZAMBTFRWBH-AWEZNQCLSA-N 1 2 339.399 0.974 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC4(CC4)C3)C2)C1=O ZINC001077653328 781429391 /nfs/dbraw/zinc/42/93/91/781429391.db2.gz SFWLVKOAEHFRHO-RBSFLKMASA-N 1 2 333.432 0.125 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3CC4(CC4)C3)C2)C1=O ZINC001077653328 781429398 /nfs/dbraw/zinc/42/93/98/781429398.db2.gz SFWLVKOAEHFRHO-RBSFLKMASA-N 1 2 333.432 0.125 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2oc(CC)nc2C)C[C@H]1O ZINC001077699179 781540130 /nfs/dbraw/zinc/54/01/30/781540130.db2.gz WJNSDMQQJXBBOC-TUVASFSCSA-N 1 2 349.431 0.798 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2oc(CC)nc2C)C[C@H]1O ZINC001077699179 781540137 /nfs/dbraw/zinc/54/01/37/781540137.db2.gz 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C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@H]2O)nn1 ZINC001077813822 781745755 /nfs/dbraw/zinc/74/57/55/781745755.db2.gz DUBNCLSXKSGPKJ-FTGSRHIXSA-N 1 2 325.800 0.382 20 30 ECEDLO N#Cc1nccc(N[C@@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C23CCC3)n1 ZINC001041595967 781820518 /nfs/dbraw/zinc/82/05/18/781820518.db2.gz HZMVQJXQXXFAFR-OLZOCXBDSA-N 1 2 337.387 0.506 20 30 ECEDLO C#CCCCCC(=O)N1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040696109 783285677 /nfs/dbraw/zinc/28/56/77/783285677.db2.gz XXEBYDWESOPVFR-QGZVFWFLSA-N 1 2 332.404 0.225 20 30 ECEDLO C[C@H]1[C@@H](Nc2ccc(C#N)cn2)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001040069883 783481798 /nfs/dbraw/zinc/48/17/98/783481798.db2.gz AFUPYINZNCJFOX-QEJZJMRPSA-N 1 2 329.404 0.685 20 30 ECEDLO C[C@H]1[C@@H](Nc2ccc(C#N)cn2)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001040069883 783481801 /nfs/dbraw/zinc/48/18/01/783481801.db2.gz AFUPYINZNCJFOX-QEJZJMRPSA-N 1 2 329.404 0.685 20 30 ECEDLO C[C@H]1[C@@H](Nc2cnc(C#N)cn2)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001040070967 783484028 /nfs/dbraw/zinc/48/40/28/783484028.db2.gz QRPGSQMJAPTRLW-FPMFFAJLSA-N 1 2 330.392 0.080 20 30 ECEDLO C[C@H]1[C@@H](Nc2cnc(C#N)cn2)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001040070967 783484031 /nfs/dbraw/zinc/48/40/31/783484031.db2.gz QRPGSQMJAPTRLW-FPMFFAJLSA-N 1 2 330.392 0.080 20 30 ECEDLO C[C@@H](C#N)C(=O)NCC1(NC(=O)CCc2c[nH+]cn2C)CCOCC1 ZINC001070193367 783627572 /nfs/dbraw/zinc/62/75/72/783627572.db2.gz UOPCKLCZHLAQAI-ZDUSSCGKSA-N 1 2 347.419 0.294 20 30 ECEDLO C[C@H](C#N)C(=O)NC1(CNC(=O)CCn2cc[nH+]c2)CCOCC1 ZINC001070233690 783710840 /nfs/dbraw/zinc/71/08/40/783710840.db2.gz CEAYTDPWBGWFJF-CYBMUJFWSA-N 1 2 333.392 0.214 20 30 ECEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2COCCO2)cc1C#N ZINC001038058825 783804252 /nfs/dbraw/zinc/80/42/52/783804252.db2.gz QJCYIQPVCCAMSY-DOTOQJQBSA-N 1 2 345.399 0.673 20 30 ECEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2COCCO2)cc1C#N ZINC001038058825 783804260 /nfs/dbraw/zinc/80/42/60/783804260.db2.gz QJCYIQPVCCAMSY-DOTOQJQBSA-N 1 2 345.399 0.673 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)c2cnn(CC)c2)C1=O ZINC001038125988 783887654 /nfs/dbraw/zinc/88/76/54/783887654.db2.gz IASKCZBSTWSZFY-HUUCEWRRSA-N 1 2 331.420 0.494 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)c2cnn(CC)c2)C1=O ZINC001038125988 783887659 /nfs/dbraw/zinc/88/76/59/783887659.db2.gz IASKCZBSTWSZFY-HUUCEWRRSA-N 1 2 331.420 0.494 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C(N)=O)c2)c1 ZINC001038141166 783911053 /nfs/dbraw/zinc/91/10/53/783911053.db2.gz SGTPJTLGZXZOQM-OAHLLOKOSA-N 1 2 337.383 0.990 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C(N)=O)c2)c1 ZINC001038141166 783911061 /nfs/dbraw/zinc/91/10/61/783911061.db2.gz SGTPJTLGZXZOQM-OAHLLOKOSA-N 1 2 337.383 0.990 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCNC(=O)C2)cc1F ZINC001038161605 783934310 /nfs/dbraw/zinc/93/43/10/783934310.db2.gz PSTUVJKPHUXTPV-UKRRQHHQSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCNC(=O)C2)cc1F ZINC001038161605 783934317 /nfs/dbraw/zinc/93/43/17/783934317.db2.gz PSTUVJKPHUXTPV-UKRRQHHQSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CC[N@@H+]2[C@@H]2CCN(C3CCC3)C2=O)c[nH]1 ZINC001038174877 783950822 /nfs/dbraw/zinc/95/08/22/783950822.db2.gz KFLPICWJXDCMHS-JKSUJKDBSA-N 1 2 341.415 0.844 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CC[N@H+]2[C@@H]2CCN(C3CCC3)C2=O)c[nH]1 ZINC001038174877 783950826 /nfs/dbraw/zinc/95/08/26/783950826.db2.gz KFLPICWJXDCMHS-JKSUJKDBSA-N 1 2 341.415 0.844 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)c2nccn2CC)C1=O ZINC001038200874 783990477 /nfs/dbraw/zinc/99/04/77/783990477.db2.gz FKSLGMPSUDBGRY-UONOGXRCSA-N 1 2 331.420 0.494 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)c2nccn2CC)C1=O ZINC001038200874 783990487 /nfs/dbraw/zinc/99/04/87/783990487.db2.gz FKSLGMPSUDBGRY-UONOGXRCSA-N 1 2 331.420 0.494 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1ccoc1)C[C@H]2c1nnc(C)[nH]1 ZINC001070440031 784075331 /nfs/dbraw/zinc/07/53/31/784075331.db2.gz ABXBJHZZKPGRES-AWEZNQCLSA-N 1 2 325.372 0.881 20 30 ECEDLO CC#CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCO1)C[C@H]2c1nnc(C)[nH]1 ZINC001070440318 784076470 /nfs/dbraw/zinc/07/64/70/784076470.db2.gz DNPOWASTDLSHJV-LSDHHAIUSA-N 1 2 343.431 0.543 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2=CCOCC2)C1 ZINC001070909986 784099123 /nfs/dbraw/zinc/09/91/23/784099123.db2.gz FZZBIAYIEXTJOU-XHSDSOJGSA-N 1 2 347.415 0.625 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2=CCOCC2)C1 ZINC001070909986 784099128 /nfs/dbraw/zinc/09/91/28/784099128.db2.gz FZZBIAYIEXTJOU-XHSDSOJGSA-N 1 2 347.415 0.625 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1n[nH]cc1F)C[C@H]2c1nnc(C)[nH]1 ZINC001070447057 784101830 /nfs/dbraw/zinc/10/18/30/784101830.db2.gz AVKDBWLPSZAQKH-NSHDSACASA-N 1 2 343.366 0.150 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2csnn2)C1 ZINC001070476242 784157902 /nfs/dbraw/zinc/15/79/02/784157902.db2.gz DMLULXBBXZGQBH-SCDSUCTJSA-N 1 2 345.432 0.515 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ncccc2CC)CC1 ZINC001070976659 784292820 /nfs/dbraw/zinc/29/28/20/784292820.db2.gz LLEDTDMXQZHAHG-UHFFFAOYSA-N 1 2 342.443 0.931 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ncccc2CC)CC1 ZINC001070976659 784292823 /nfs/dbraw/zinc/29/28/23/784292823.db2.gz LLEDTDMXQZHAHG-UHFFFAOYSA-N 1 2 342.443 0.931 20 30 ECEDLO C[C@@H](CC(=O)N1CCC(=O)NCCN(CC#N)CC1)n1cc[nH+]c1 ZINC001071004540 784381347 /nfs/dbraw/zinc/38/13/47/784381347.db2.gz JYKLIKKSNCTJDW-AWEZNQCLSA-N 1 2 332.408 0.008 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2cnn(CC)c2)CC1 ZINC001071014643 784417045 /nfs/dbraw/zinc/41/70/45/784417045.db2.gz ZMBIEDUEQPXOIJ-UHFFFAOYSA-N 1 2 333.436 0.282 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2cnn(CC)c2)CC1 ZINC001071014643 784417050 /nfs/dbraw/zinc/41/70/50/784417050.db2.gz ZMBIEDUEQPXOIJ-UHFFFAOYSA-N 1 2 333.436 0.282 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2conc2COC)CC1 ZINC001071015600 784422346 /nfs/dbraw/zinc/42/23/46/784422346.db2.gz LCJZUWLMRDLKMH-UHFFFAOYSA-N 1 2 348.403 0.108 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2conc2COC)CC1 ZINC001071015600 784422352 /nfs/dbraw/zinc/42/23/52/784422352.db2.gz LCJZUWLMRDLKMH-UHFFFAOYSA-N 1 2 348.403 0.108 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ncccc2OC)CC1 ZINC001071017396 784429371 /nfs/dbraw/zinc/42/93/71/784429371.db2.gz WNHKKTMCTOTGCI-UHFFFAOYSA-N 1 2 344.415 0.378 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ncccc2OC)CC1 ZINC001071017396 784429379 /nfs/dbraw/zinc/42/93/79/784429379.db2.gz WNHKKTMCTOTGCI-UHFFFAOYSA-N 1 2 344.415 0.378 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)n2nc(C)cc2C)CC1 ZINC001071022974 784447832 /nfs/dbraw/zinc/44/78/32/784447832.db2.gz KITKQRQXAGMWFC-MRXNPFEDSA-N 1 2 347.463 0.897 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)n2nc(C)cc2C)CC1 ZINC001071022974 784447835 /nfs/dbraw/zinc/44/78/35/784447835.db2.gz KITKQRQXAGMWFC-MRXNPFEDSA-N 1 2 347.463 0.897 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001071031864 784461295 /nfs/dbraw/zinc/46/12/95/784461295.db2.gz HAOWZIPXMUOVFV-RHSMWYFYSA-N 1 2 334.420 0.708 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cncc(F)c2)C[C@H]1NCC#N ZINC001070637829 784474023 /nfs/dbraw/zinc/47/40/23/784474023.db2.gz HRUHADUICYXPBK-ZIAGYGMSSA-N 1 2 328.351 0.676 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cccc3nccn32)C[C@H]1NCC#N ZINC001070666874 784523480 /nfs/dbraw/zinc/52/34/80/784523480.db2.gz DGIKVUAKXKBYMH-ZIAGYGMSSA-N 1 2 349.398 0.789 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ncc3ccccn32)C[C@H]1NCC#N ZINC001070668282 784525802 /nfs/dbraw/zinc/52/58/02/784525802.db2.gz MHWHWZAPRPKOMX-HUUCEWRRSA-N 1 2 349.398 0.789 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001070674859 784534441 /nfs/dbraw/zinc/53/44/41/784534441.db2.gz GKPFYMDAWZJQOA-CQSZACIVSA-N 1 2 332.404 0.489 20 30 ECEDLO Cc1ccnn1CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070696509 784564671 /nfs/dbraw/zinc/56/46/71/784564671.db2.gz WIBOORBYQQBLJM-ZIAGYGMSSA-N 1 2 327.392 0.033 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)nn1)C[C@@H](C)O2 ZINC001071164754 784637727 /nfs/dbraw/zinc/63/77/27/784637727.db2.gz RZTQUOPMMVZEEP-IUODEOHRSA-N 1 2 339.827 0.873 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)nn1)C[C@@H](C)O2 ZINC001071164754 784637730 /nfs/dbraw/zinc/63/77/30/784637730.db2.gz RZTQUOPMMVZEEP-IUODEOHRSA-N 1 2 339.827 0.873 20 30 ECEDLO C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@]2(CCN(CC#N)C2)O1 ZINC001071226088 784784278 /nfs/dbraw/zinc/78/42/78/784784278.db2.gz UYHZKUGOZMOEMK-DYVFJYSZSA-N 1 2 331.420 0.903 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC001070900574 784808183 /nfs/dbraw/zinc/80/81/83/784808183.db2.gz QNMPJTFOMOKYDD-BMFZPTHFSA-N 1 2 342.399 0.987 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC001070900574 784808189 /nfs/dbraw/zinc/80/81/89/784808189.db2.gz QNMPJTFOMOKYDD-BMFZPTHFSA-N 1 2 342.399 0.987 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1cncn1)C[C@H](C)O2 ZINC001071239167 784810748 /nfs/dbraw/zinc/81/07/48/784810748.db2.gz XIGQWGRQXAXORX-ZFWWWQNUSA-N 1 2 339.827 0.722 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1cncn1)C[C@H](C)O2 ZINC001071239167 784810755 /nfs/dbraw/zinc/81/07/55/784810755.db2.gz XIGQWGRQXAXORX-ZFWWWQNUSA-N 1 2 339.827 0.722 20 30 ECEDLO COC[C@@H](C)[N@@H+]1CCN([C@@H]2CCCN(C(=O)C#CC3CC3)C2)C(=O)C1 ZINC001071264366 784884632 /nfs/dbraw/zinc/88/46/32/784884632.db2.gz UTVZEXCGUVQHQY-NVXWUHKLSA-N 1 2 347.459 0.570 20 30 ECEDLO COC[C@@H](C)[N@H+]1CCN([C@@H]2CCCN(C(=O)C#CC3CC3)C2)C(=O)C1 ZINC001071264366 784884635 /nfs/dbraw/zinc/88/46/35/784884635.db2.gz UTVZEXCGUVQHQY-NVXWUHKLSA-N 1 2 347.459 0.570 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCC[C@H](N3CC[N@@H+](C[C@@H](C)O)CC3=O)C2)C1 ZINC001071273913 784910541 /nfs/dbraw/zinc/91/05/41/784910541.db2.gz KNRDWJOJDPHIAM-CVEARBPZSA-N 1 2 349.475 0.859 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCC[C@H](N3CC[N@H+](C[C@@H](C)O)CC3=O)C2)C1 ZINC001071273913 784910544 /nfs/dbraw/zinc/91/05/44/784910544.db2.gz KNRDWJOJDPHIAM-CVEARBPZSA-N 1 2 349.475 0.859 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CN2CCCS2(=O)=O)CC[C@@H]1C ZINC001071549081 785284959 /nfs/dbraw/zinc/28/49/59/785284959.db2.gz OCYQDXUJFWGEOW-QWHCGFSZSA-N 1 2 349.884 0.744 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CN2CCCS2(=O)=O)CC[C@@H]1C ZINC001071549081 785284965 /nfs/dbraw/zinc/28/49/65/785284965.db2.gz OCYQDXUJFWGEOW-QWHCGFSZSA-N 1 2 349.884 0.744 20 30 ECEDLO C=C(C)C[N@H+]1C[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC[C@H]1C ZINC001071908083 785310580 /nfs/dbraw/zinc/31/05/80/785310580.db2.gz MMAYXAKPVIXSCJ-CHWSQXEVSA-N 1 2 344.419 0.616 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC[C@H]1C ZINC001071908083 785310590 /nfs/dbraw/zinc/31/05/90/785310590.db2.gz MMAYXAKPVIXSCJ-CHWSQXEVSA-N 1 2 344.419 0.616 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001071659143 785466598 /nfs/dbraw/zinc/46/65/98/785466598.db2.gz SSDCYGWKBZVXQU-CHWSQXEVSA-N 1 2 335.433 0.493 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC[C@@H]1C ZINC001071660236 785468619 /nfs/dbraw/zinc/46/86/19/785468619.db2.gz SBFKXLAUDDQCRK-NWDGAFQWSA-N 1 2 340.811 0.671 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC[C@@H]1C ZINC001071660236 785468623 /nfs/dbraw/zinc/46/86/23/785468623.db2.gz SBFKXLAUDDQCRK-NWDGAFQWSA-N 1 2 340.811 0.671 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)CC[C@@H]1C ZINC001072058921 785593117 /nfs/dbraw/zinc/59/31/17/785593117.db2.gz VGBSLUOMZCGCEZ-QWRGUYRKSA-N 1 2 328.800 0.260 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)CC[C@@H]1C ZINC001072058921 785593119 /nfs/dbraw/zinc/59/31/19/785593119.db2.gz VGBSLUOMZCGCEZ-QWRGUYRKSA-N 1 2 328.800 0.260 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1NC(=O)CSCC#N ZINC001072316457 786029688 /nfs/dbraw/zinc/02/96/88/786029688.db2.gz CMJVMPYCAYFOFD-AAEUAGOBSA-N 1 2 335.433 0.562 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1NC(=O)CSCC#N ZINC001072316457 786029690 /nfs/dbraw/zinc/02/96/90/786029690.db2.gz CMJVMPYCAYFOFD-AAEUAGOBSA-N 1 2 335.433 0.562 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001072362150 786082343 /nfs/dbraw/zinc/08/23/43/786082343.db2.gz MFZBZWCUKNTWDY-HIFRSBDPSA-N 1 2 347.415 0.798 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001072429002 786169475 /nfs/dbraw/zinc/16/94/75/786169475.db2.gz AQCJMMNRBQZAJJ-ZIAGYGMSSA-N 1 2 346.431 0.690 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001072547459 786351750 /nfs/dbraw/zinc/35/17/50/786351750.db2.gz BDTRDAKPSYEGST-LLVKDONJSA-N 1 2 342.237 0.708 20 30 ECEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCC(=O)N3)C2)C1 ZINC001072547459 786351753 /nfs/dbraw/zinc/35/17/53/786351753.db2.gz BDTRDAKPSYEGST-LLVKDONJSA-N 1 2 342.237 0.708 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1cc(=O)n3[nH]ccc3n1)C2 ZINC001072551517 786356016 /nfs/dbraw/zinc/35/60/16/786356016.db2.gz GKBHEAOIFGGDSJ-LBPRGKRZSA-N 1 2 340.387 0.217 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](Cc1cc(=O)n3[nH]ccc3n1)C2 ZINC001072551517 786356021 /nfs/dbraw/zinc/35/60/21/786356021.db2.gz GKBHEAOIFGGDSJ-LBPRGKRZSA-N 1 2 340.387 0.217 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCc3cc(OC)no3)C[C@H]21 ZINC001074256459 786527662 /nfs/dbraw/zinc/52/76/62/786527662.db2.gz TWSHJDCTAQAYQW-CVEARBPZSA-N 1 2 347.415 0.941 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCc3cc(OC)no3)C[C@H]21 ZINC001074256459 786527669 /nfs/dbraw/zinc/52/76/69/786527669.db2.gz TWSHJDCTAQAYQW-CVEARBPZSA-N 1 2 347.415 0.941 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCn3ccccc3=O)C[C@@H]21 ZINC001074257021 786529395 /nfs/dbraw/zinc/52/93/95/786529395.db2.gz XZYJEEDPHRLVTM-IRXDYDNUSA-N 1 2 343.427 0.563 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCn3ccccc3=O)C[C@@H]21 ZINC001074257021 786529397 /nfs/dbraw/zinc/52/93/97/786529397.db2.gz XZYJEEDPHRLVTM-IRXDYDNUSA-N 1 2 343.427 0.563 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnc4n3CCC4)C[C@H]21 ZINC001074268064 786551045 /nfs/dbraw/zinc/55/10/45/786551045.db2.gz CCENGLIYLVTRJU-HZPDHXFCSA-N 1 2 328.416 0.768 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnc4n3CCC4)C[C@H]21 ZINC001074268064 786551054 /nfs/dbraw/zinc/55/10/54/786551054.db2.gz CCENGLIYLVTRJU-HZPDHXFCSA-N 1 2 328.416 0.768 20 30 ECEDLO C=CCn1cccc1C(=O)N1CC[C@@H]2OCC[N@@H+](CCCO)[C@@H]2C1 ZINC001074269137 786552643 /nfs/dbraw/zinc/55/26/43/786552643.db2.gz SAANKDHZIMBGQH-SJORKVTESA-N 1 2 333.432 0.972 20 30 ECEDLO C=CCn1cccc1C(=O)N1CC[C@@H]2OCC[N@H+](CCCO)[C@@H]2C1 ZINC001074269137 786552653 /nfs/dbraw/zinc/55/26/53/786552653.db2.gz SAANKDHZIMBGQH-SJORKVTESA-N 1 2 333.432 0.972 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C[C@@H]21 ZINC001074285108 786593222 /nfs/dbraw/zinc/59/32/22/786593222.db2.gz VPGBLSFWWPWULV-HOTGVXAUSA-N 1 2 331.416 0.877 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C[C@@H]21 ZINC001074285108 786593231 /nfs/dbraw/zinc/59/32/31/786593231.db2.gz VPGBLSFWWPWULV-HOTGVXAUSA-N 1 2 331.416 0.877 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21 ZINC001074285242 786593755 /nfs/dbraw/zinc/59/37/55/786593755.db2.gz XQUQMRRAKKERLL-JKSUJKDBSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21 ZINC001074285242 786593761 /nfs/dbraw/zinc/59/37/61/786593761.db2.gz XQUQMRRAKKERLL-JKSUJKDBSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn4cccnc4n3)C[C@@H]21 ZINC001074285210 786593813 /nfs/dbraw/zinc/59/38/13/786593813.db2.gz WVRGLSLGBOVKQE-JKSUJKDBSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn4cccnc4n3)C[C@@H]21 ZINC001074285210 786593816 /nfs/dbraw/zinc/59/38/16/786593816.db2.gz WVRGLSLGBOVKQE-JKSUJKDBSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnn(C)c3CC)C[C@@H]21 ZINC001074285763 786595883 /nfs/dbraw/zinc/59/58/83/786595883.db2.gz GWFKZCLNQXRIHK-DLBZAZTESA-N 1 2 330.432 0.921 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnn(C)c3CC)C[C@@H]21 ZINC001074285763 786595890 /nfs/dbraw/zinc/59/58/90/786595890.db2.gz GWFKZCLNQXRIHK-DLBZAZTESA-N 1 2 330.432 0.921 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ncnc4[nH]ccc43)C[C@H]21 ZINC001074286785 786598121 /nfs/dbraw/zinc/59/81/21/786598121.db2.gz RHOMCPWTPKIIDB-HUUCEWRRSA-N 1 2 339.399 0.848 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ncnc4[nH]ccc43)C[C@H]21 ZINC001074286785 786598125 /nfs/dbraw/zinc/59/81/25/786598125.db2.gz RHOMCPWTPKIIDB-HUUCEWRRSA-N 1 2 339.399 0.848 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCN3C(=O)CCC3=O)C[C@@H]21 ZINC001074289476 786603783 /nfs/dbraw/zinc/60/37/83/786603783.db2.gz RPIZOLUAPBEINT-GJZGRUSLSA-N 1 2 349.431 0.403 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCN3C(=O)CCC3=O)C[C@@H]21 ZINC001074289476 786603788 /nfs/dbraw/zinc/60/37/88/786603788.db2.gz RPIZOLUAPBEINT-GJZGRUSLSA-N 1 2 349.431 0.403 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2nccnc2N)C1 ZINC001073561795 786608222 /nfs/dbraw/zinc/60/82/22/786608222.db2.gz BWXGSUKOGVCRCW-LLVKDONJSA-N 1 2 325.800 0.632 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2nccnc2N)C1 ZINC001073561795 786608226 /nfs/dbraw/zinc/60/82/26/786608226.db2.gz BWXGSUKOGVCRCW-LLVKDONJSA-N 1 2 325.800 0.632 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@H]21 ZINC001074340525 786710178 /nfs/dbraw/zinc/71/01/78/786710178.db2.gz KBJFHOSVZPCOFU-HUUCEWRRSA-N 1 2 330.388 0.052 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@H]21 ZINC001074340525 786710206 /nfs/dbraw/zinc/71/02/06/786710206.db2.gz KBJFHOSVZPCOFU-HUUCEWRRSA-N 1 2 330.388 0.052 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(CC=C)nn3)C[C@H]21 ZINC001074353027 786736323 /nfs/dbraw/zinc/73/63/23/786736323.db2.gz BAPZCSYHZUBEJJ-HZPDHXFCSA-N 1 2 329.404 0.403 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(CC=C)nn3)C[C@H]21 ZINC001074353027 786736329 /nfs/dbraw/zinc/73/63/29/786736329.db2.gz BAPZCSYHZUBEJJ-HZPDHXFCSA-N 1 2 329.404 0.403 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@H]21 ZINC001074368140 786773134 /nfs/dbraw/zinc/77/31/34/786773134.db2.gz AOUNITXBTWMPSH-HUUCEWRRSA-N 1 2 332.404 0.605 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@H]21 ZINC001074368140 786773137 /nfs/dbraw/zinc/77/31/37/786773137.db2.gz AOUNITXBTWMPSH-HUUCEWRRSA-N 1 2 332.404 0.605 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccn(C)c3=O)C[C@@H]21 ZINC001074382070 786810518 /nfs/dbraw/zinc/81/05/18/786810518.db2.gz DDTTWVHUNOHTFA-JKSUJKDBSA-N 1 2 331.416 0.877 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccn(C)c3=O)C[C@@H]21 ZINC001074382070 786810529 /nfs/dbraw/zinc/81/05/29/786810529.db2.gz DDTTWVHUNOHTFA-JKSUJKDBSA-N 1 2 331.416 0.877 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccn(C)c3=O)C[C@H]21 ZINC001074382069 786811381 /nfs/dbraw/zinc/81/13/81/786811381.db2.gz DDTTWVHUNOHTFA-HZPDHXFCSA-N 1 2 331.416 0.877 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccn(C)c3=O)C[C@H]21 ZINC001074382069 786811391 /nfs/dbraw/zinc/81/13/91/786811391.db2.gz DDTTWVHUNOHTFA-HZPDHXFCSA-N 1 2 331.416 0.877 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3c(OC)cc[nH]c3=O)C[C@H]21 ZINC001074384347 786819433 /nfs/dbraw/zinc/81/94/33/786819433.db2.gz FZRWFDFQUYQWBI-KGLIPLIRSA-N 1 2 345.399 0.734 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3c(OC)cc[nH]c3=O)C[C@H]21 ZINC001074384347 786819438 /nfs/dbraw/zinc/81/94/38/786819438.db2.gz FZRWFDFQUYQWBI-KGLIPLIRSA-N 1 2 345.399 0.734 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3nc(C)ccc3=O)C[C@@H]21 ZINC001074387405 786825833 /nfs/dbraw/zinc/82/58/33/786825833.db2.gz KFJAAOAHWQHEAB-JKSUJKDBSA-N 1 2 346.431 0.430 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3nc(C)ccc3=O)C[C@@H]21 ZINC001074387405 786825844 /nfs/dbraw/zinc/82/58/44/786825844.db2.gz KFJAAOAHWQHEAB-JKSUJKDBSA-N 1 2 346.431 0.430 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001074393036 786836344 /nfs/dbraw/zinc/83/63/44/786836344.db2.gz UYUQDZCKXPHTTF-QZTJIDSGSA-N 1 2 328.412 0.504 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001074393036 786836360 /nfs/dbraw/zinc/83/63/60/786836360.db2.gz UYUQDZCKXPHTTF-QZTJIDSGSA-N 1 2 328.412 0.504 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001073642610 786852603 /nfs/dbraw/zinc/85/26/03/786852603.db2.gz PBCJUFJHASQETP-IHRRRGAJSA-N 1 2 332.828 0.750 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001073642610 786852611 /nfs/dbraw/zinc/85/26/11/786852611.db2.gz PBCJUFJHASQETP-IHRRRGAJSA-N 1 2 332.828 0.750 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001073642815 786853082 /nfs/dbraw/zinc/85/30/82/786853082.db2.gz UVOLNSWHPKRNPI-GFCCVEGCSA-N 1 2 340.811 0.354 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001073642815 786853094 /nfs/dbraw/zinc/85/30/94/786853094.db2.gz UVOLNSWHPKRNPI-GFCCVEGCSA-N 1 2 340.811 0.354 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@H]21 ZINC001074410148 786895198 /nfs/dbraw/zinc/89/51/98/786895198.db2.gz MYJKXBUMZOABQK-HUUCEWRRSA-N 1 2 342.399 0.119 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@H]21 ZINC001074410148 786895201 /nfs/dbraw/zinc/89/52/01/786895201.db2.gz MYJKXBUMZOABQK-HUUCEWRRSA-N 1 2 342.399 0.119 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)cn3)C[C@H]21 ZINC001074417061 786917174 /nfs/dbraw/zinc/91/71/74/786917174.db2.gz HXAABAKVSHDSGR-HZPDHXFCSA-N 1 2 342.399 0.119 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)cn3)C[C@H]21 ZINC001074417061 786917184 /nfs/dbraw/zinc/91/71/84/786917184.db2.gz HXAABAKVSHDSGR-HZPDHXFCSA-N 1 2 342.399 0.119 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001073714522 787035838 /nfs/dbraw/zinc/03/58/38/787035838.db2.gz SWNCPIWVXZPJNS-KBPBESRZSA-N 1 2 343.855 0.862 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001073714522 787035846 /nfs/dbraw/zinc/03/58/46/787035846.db2.gz SWNCPIWVXZPJNS-KBPBESRZSA-N 1 2 343.855 0.862 20 30 ECEDLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1NC(=O)CSCC#N ZINC001073746856 787115181 /nfs/dbraw/zinc/11/51/81/787115181.db2.gz FEMHIVOZDNULNI-WCQYABFASA-N 1 2 335.433 0.562 20 30 ECEDLO C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001073795322 787215761 /nfs/dbraw/zinc/21/57/61/787215761.db2.gz AOJYUWXCCOOJHM-HNNXBMFYSA-N 1 2 344.477 0.594 20 30 ECEDLO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001073795322 787215767 /nfs/dbraw/zinc/21/57/67/787215767.db2.gz AOJYUWXCCOOJHM-HNNXBMFYSA-N 1 2 344.477 0.594 20 30 ECEDLO C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCS(=O)(=O)C2)C1 ZINC001073797020 787220666 /nfs/dbraw/zinc/22/06/66/787220666.db2.gz SZZGJKIQQZDKSU-GJZGRUSLSA-N 1 2 344.477 0.594 20 30 ECEDLO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCS(=O)(=O)C2)C1 ZINC001073797020 787220675 /nfs/dbraw/zinc/22/06/75/787220675.db2.gz SZZGJKIQQZDKSU-GJZGRUSLSA-N 1 2 344.477 0.594 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2C[N@H+](CCF)CCCO2)nn1 ZINC001073813307 787246007 /nfs/dbraw/zinc/24/60/07/787246007.db2.gz VDDOBSMFDQWBQU-CYBMUJFWSA-N 1 2 325.388 0.644 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2C[N@@H+](CCF)CCCO2)nn1 ZINC001073813307 787246011 /nfs/dbraw/zinc/24/60/11/787246011.db2.gz VDDOBSMFDQWBQU-CYBMUJFWSA-N 1 2 325.388 0.644 20 30 ECEDLO C#CCCCC(=O)N1CCC(O)(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001074565463 787271580 /nfs/dbraw/zinc/27/15/80/787271580.db2.gz IKOFPSVGTSMRJU-UHFFFAOYSA-N 1 2 332.404 0.225 20 30 ECEDLO C#CCCCC(=O)N1CCC(O)(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001074565828 787272296 /nfs/dbraw/zinc/27/22/96/787272296.db2.gz VRKGZEAIRIGMFN-UHFFFAOYSA-N 1 2 346.431 0.236 20 30 ECEDLO CC(C)C#CC(=O)N1CCC(O)(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001074579870 787312137 /nfs/dbraw/zinc/31/21/37/787312137.db2.gz YQLVCKUMRKKCGY-UHFFFAOYSA-N 1 2 346.431 0.092 20 30 ECEDLO C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001074590749 787340184 /nfs/dbraw/zinc/34/01/84/787340184.db2.gz AJWGCAPIJGLSMV-KBPBESRZSA-N 1 2 347.419 0.464 20 30 ECEDLO C=C(C)CCC(=O)NCC1(O)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001074646202 787493672 /nfs/dbraw/zinc/49/36/72/787493672.db2.gz OEPVUBHNXKVKTG-UHFFFAOYSA-N 1 2 348.447 0.789 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001073920644 787526652 /nfs/dbraw/zinc/52/66/52/787526652.db2.gz CJGGFXUXFSDOOT-ZIAGYGMSSA-N 1 2 334.420 0.898 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001074692777 787616943 /nfs/dbraw/zinc/61/69/43/787616943.db2.gz QCJZHHQUZVJFRD-KGLIPLIRSA-N 1 2 348.447 0.880 20 30 ECEDLO C=CCCOCC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001074034030 787730582 /nfs/dbraw/zinc/73/05/82/787730582.db2.gz UJPXOYOBTMEVDY-GJZGRUSLSA-N 1 2 334.420 0.829 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001074038091 787737405 /nfs/dbraw/zinc/73/74/05/787737405.db2.gz CJLNMRNMTDQECQ-HUUCEWRRSA-N 1 2 334.420 0.829 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)NCC1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001074759313 787775137 /nfs/dbraw/zinc/77/51/37/787775137.db2.gz RLPDZZAUMRLBFZ-KBPBESRZSA-N 1 2 348.447 0.880 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001074079886 787826785 /nfs/dbraw/zinc/82/67/85/787826785.db2.gz NVLXILUQMLVKCP-UKRRQHHQSA-N 1 2 334.420 0.518 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H](C)C1 ZINC001074891576 788498771 /nfs/dbraw/zinc/49/87/71/788498771.db2.gz IRGAVKSKIKITFX-LSDHHAIUSA-N 1 2 334.420 0.972 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001075048892 788797770 /nfs/dbraw/zinc/79/77/70/788797770.db2.gz UOHLEGNEEFTILU-HUUCEWRRSA-N 1 2 334.420 0.972 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC001075211709 789070141 /nfs/dbraw/zinc/07/01/41/789070141.db2.gz ZVUHAVHNFVGAGB-KBPBESRZSA-N 1 2 332.404 0.488 20 30 ECEDLO N#CCN1CCC2(CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C2)C1 ZINC001073026841 789298870 /nfs/dbraw/zinc/29/88/70/789298870.db2.gz QZYSPJLLKRUZLV-UHFFFAOYSA-N 1 2 332.448 0.689 20 30 ECEDLO N#CCN[C@@H]1CCO[C@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001075396747 789322451 /nfs/dbraw/zinc/32/24/51/789322451.db2.gz BXRAPFGAURAYIP-CABCVRRESA-N 1 2 331.420 0.852 20 30 ECEDLO C#CCOCCC(=O)NC1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001073103178 789446495 /nfs/dbraw/zinc/44/64/95/789446495.db2.gz TVBAUJOCJZVFEV-UHFFFAOYSA-N 1 2 346.431 0.880 20 30 ECEDLO C#CCOCCC(=O)NC1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001073103178 789446496 /nfs/dbraw/zinc/44/64/96/789446496.db2.gz TVBAUJOCJZVFEV-UHFFFAOYSA-N 1 2 346.431 0.880 20 30 ECEDLO N#Cc1ccc(N2CC[C@@]3(NC(=O)Cc4[nH]cc[nH+]4)CCC[C@H]23)nn1 ZINC001069270857 789721727 /nfs/dbraw/zinc/72/17/27/789721727.db2.gz IDIYMDWGCRKMIE-GUYCJALGSA-N 1 2 337.387 0.932 20 30 ECEDLO C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCCN1c1cncc(C#N)n1 ZINC001069376443 789784217 /nfs/dbraw/zinc/78/42/17/789784217.db2.gz XJSHQPSULDQZDC-GXTWGEPZSA-N 1 2 325.376 0.718 20 30 ECEDLO CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1Nc1ccnc(C#N)n1 ZINC001069561026 789901771 /nfs/dbraw/zinc/90/17/71/789901771.db2.gz AEQSSSBAJCQLQM-GFCCVEGCSA-N 1 2 339.403 0.775 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1C[C@@H](Nc2cncc(C#N)n2)C(C)(C)C1 ZINC001069577499 789914337 /nfs/dbraw/zinc/91/43/37/789914337.db2.gz JMHZFWJWVYTJNP-CQSZACIVSA-N 1 2 339.403 0.973 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CCNC(=O)C3)c2C1 ZINC001069857374 790106730 /nfs/dbraw/zinc/10/67/30/790106730.db2.gz PCSKRAMWSHNYLB-ZDUSSCGKSA-N 1 2 331.420 0.417 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CCNC(=O)C3)c2C1 ZINC001069857374 790106732 /nfs/dbraw/zinc/10/67/32/790106732.db2.gz PCSKRAMWSHNYLB-ZDUSSCGKSA-N 1 2 331.420 0.417 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3cnc[nH]c3=O)c2C1 ZINC001069864118 790118904 /nfs/dbraw/zinc/11/89/04/790118904.db2.gz AAMVOVLDQCZGJA-UHFFFAOYSA-N 1 2 328.376 0.700 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3cnc[nH]c3=O)c2C1 ZINC001069864118 790118907 /nfs/dbraw/zinc/11/89/07/790118907.db2.gz AAMVOVLDQCZGJA-UHFFFAOYSA-N 1 2 328.376 0.700 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C2(F)CCOCC2)[C@@H](n2ccnn2)C1 ZINC001069942341 790218453 /nfs/dbraw/zinc/21/84/53/790218453.db2.gz XUCWNVDZHBIHJW-KGLIPLIRSA-N 1 2 335.383 0.162 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C2(F)CCOCC2)[C@@H](n2ccnn2)C1 ZINC001069942341 790218457 /nfs/dbraw/zinc/21/84/57/790218457.db2.gz XUCWNVDZHBIHJW-KGLIPLIRSA-N 1 2 335.383 0.162 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2cnc(C)o2)[C@@H](n2ccnn2)C1 ZINC001069945068 790222979 /nfs/dbraw/zinc/22/29/79/790222979.db2.gz DJJVRFJTBVUXCM-CABCVRRESA-N 1 2 328.376 0.182 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2cnc(C)o2)[C@@H](n2ccnn2)C1 ZINC001069945068 790222981 /nfs/dbraw/zinc/22/29/81/790222981.db2.gz DJJVRFJTBVUXCM-CABCVRRESA-N 1 2 328.376 0.182 20 30 ECEDLO CC(C)C#CC(=O)N1CC2(C1)C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)CO2 ZINC001068905116 791385317 /nfs/dbraw/zinc/38/53/17/791385317.db2.gz FQGFXKMBABITEA-OAHLLOKOSA-N 1 2 344.415 0.488 20 30 ECEDLO CC(C)C#CC(=O)N1CC2(C1)C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)CO2 ZINC001068905116 791385325 /nfs/dbraw/zinc/38/53/25/791385325.db2.gz FQGFXKMBABITEA-OAHLLOKOSA-N 1 2 344.415 0.488 20 30 ECEDLO C#CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)CCc1c[nH]c[nH+]1)CO2 ZINC001068905992 791388544 /nfs/dbraw/zinc/38/85/44/791388544.db2.gz PYJPHJQVXZYLJX-HNNXBMFYSA-N 1 2 344.415 0.632 20 30 ECEDLO C#CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)CCc1c[nH+]c[nH]1)CO2 ZINC001068905992 791388552 /nfs/dbraw/zinc/38/85/52/791388552.db2.gz PYJPHJQVXZYLJX-HNNXBMFYSA-N 1 2 344.415 0.632 20 30 ECEDLO C#CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)Cn1cc[nH+]c1)CO2 ZINC001068912869 791404996 /nfs/dbraw/zinc/40/49/96/791404996.db2.gz MYEIKISNCVBOER-AWEZNQCLSA-N 1 2 330.388 0.173 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001066698562 792018275 /nfs/dbraw/zinc/01/82/75/792018275.db2.gz MMPULDTYQSFZMX-HIFRSBDPSA-N 1 2 339.403 0.231 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001066698768 792019838 /nfs/dbraw/zinc/01/98/38/792019838.db2.gz OKTADCHNSHKOIM-UKRRQHHQSA-N 1 2 339.403 0.231 20 30 ECEDLO Cc1ccnc(N2CC[NH+]([C@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)n1 ZINC001066698909 792019962 /nfs/dbraw/zinc/01/99/62/792019962.db2.gz PHZQMGHTMCOYGH-HIFRSBDPSA-N 1 2 328.420 0.668 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1)c1nccnc1C#N ZINC001067748733 792220164 /nfs/dbraw/zinc/22/01/64/792220164.db2.gz FEOXDOQZSGJAHI-HIFRSBDPSA-N 1 2 344.419 0.106 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1)c1nccnc1C#N ZINC001067748733 792220168 /nfs/dbraw/zinc/22/01/68/792220168.db2.gz FEOXDOQZSGJAHI-HIFRSBDPSA-N 1 2 344.419 0.106 20 30 ECEDLO N#Cc1nccnc1N[C@]1(CO)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001066923450 792393689 /nfs/dbraw/zinc/39/36/89/792393689.db2.gz LVJXJOLHVIICQU-MRXNPFEDSA-N 1 2 341.375 0.079 20 30 ECEDLO C[C@@H]1CCN(c2ccnc(C#N)n2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067963459 792513325 /nfs/dbraw/zinc/51/33/25/792513325.db2.gz PIALXLMQLPAQAT-TZMCWYRMSA-N 1 2 339.403 0.655 20 30 ECEDLO C[C@@H]1CCN(c2nccnc2C#N)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067965584 792517378 /nfs/dbraw/zinc/51/73/78/792517378.db2.gz OHYODFQFMOLIAB-TZMCWYRMSA-N 1 2 325.376 0.576 20 30 ECEDLO C[C@@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067966481 792519401 /nfs/dbraw/zinc/51/94/01/792519401.db2.gz XNWFJCKFZMWLGR-OCCSQVGLSA-N 1 2 325.376 0.576 20 30 ECEDLO CN(CCCN(C)C(=O)c1cc(C#N)c[nH]1)C(=O)Cc1[nH]cc[nH+]1 ZINC001067113948 792710684 /nfs/dbraw/zinc/71/06/84/792710684.db2.gz PRNYBMIYYKBZSS-UHFFFAOYSA-N 1 2 328.376 0.773 20 30 ECEDLO CC1(C)CN(c2cncc(C#N)n2)C[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001068140149 792735442 /nfs/dbraw/zinc/73/54/42/792735442.db2.gz RHMNZTOUUQZALP-ZDUSSCGKSA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1Nc1cncc(C#N)n1 ZINC001067179571 792783791 /nfs/dbraw/zinc/78/37/91/792783791.db2.gz ZGNVMSYQKCHMHL-OCCSQVGLSA-N 1 2 325.376 0.894 20 30 ECEDLO C[C@@H](Nc1ccc(C#N)nn1)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001068234513 792885295 /nfs/dbraw/zinc/88/52/95/792885295.db2.gz HVWJBOVVVBPRJC-TZMCWYRMSA-N 1 2 341.375 0.273 20 30 ECEDLO C[C@H](Nc1ccc(C#N)nc1)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001068245262 792924764 /nfs/dbraw/zinc/92/47/64/792924764.db2.gz JAVWSWKBGXGCCD-BLLLJJGKSA-N 1 2 340.387 0.947 20 30 ECEDLO C[C@@H](Nc1ncccc1C#N)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001068245855 792927594 /nfs/dbraw/zinc/92/75/94/792927594.db2.gz RASDPHDEZDMVDM-IUODEOHRSA-N 1 2 340.387 0.947 20 30 ECEDLO CC1(C)CN(c2ccnc(C#N)n2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067327128 792994489 /nfs/dbraw/zinc/99/44/89/792994489.db2.gz OUJYLLPTJQUUND-CYBMUJFWSA-N 1 2 339.403 0.966 20 30 ECEDLO C[C@@H]1C[C@H](CNc2ccc(C#N)nn2)CN1C(=O)Cc1c[nH+]cn1C ZINC001068336601 793070356 /nfs/dbraw/zinc/07/03/56/793070356.db2.gz BRNYPHLKEHVBMF-CHWSQXEVSA-N 1 2 339.403 0.973 20 30 ECEDLO C#CCOCCC(=O)N(C)CCCN(C)C(=O)CCc1c[nH+]cn1C ZINC001067425364 793136460 /nfs/dbraw/zinc/13/64/60/793136460.db2.gz GDEAXVFARVLFOG-UHFFFAOYSA-N 1 2 348.447 0.700 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001067430999 793146389 /nfs/dbraw/zinc/14/63/89/793146389.db2.gz LHMXDAPQNXWBKV-AWEZNQCLSA-N 1 2 334.420 0.688 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001067430999 793146392 /nfs/dbraw/zinc/14/63/92/793146392.db2.gz LHMXDAPQNXWBKV-AWEZNQCLSA-N 1 2 334.420 0.688 20 30 ECEDLO C[C@@H]1C[C@@H](CNc2cnc(C#N)cn2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001068376589 793152048 /nfs/dbraw/zinc/15/20/48/793152048.db2.gz WZBBXHUKBWTLLF-NEPJUHHUSA-N 1 2 325.376 0.963 20 30 ECEDLO CC(C)C#CC(=O)N1CCOC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001068393396 793196607 /nfs/dbraw/zinc/19/66/07/793196607.db2.gz PYTNOEFLMAYMLR-UHFFFAOYSA-N 1 2 344.415 0.442 20 30 ECEDLO CC(C)C#CC(=O)N1CCOC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001068393396 793196612 /nfs/dbraw/zinc/19/66/12/793196612.db2.gz PYTNOEFLMAYMLR-UHFFFAOYSA-N 1 2 344.415 0.442 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CCOC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001068401068 793224301 /nfs/dbraw/zinc/22/43/01/793224301.db2.gz RWWJBAGRAANLDM-UHFFFAOYSA-N 1 2 346.431 0.994 20 30 ECEDLO C=C(C)CCC(=O)N1CCOC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001068403138 793228243 /nfs/dbraw/zinc/22/82/43/793228243.db2.gz CSISVFMQTZIICJ-UHFFFAOYSA-N 1 2 332.404 0.679 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC2(C1)CN(C(=O)Cn1cc[nH+]c1)CCO2 ZINC001068409338 793250937 /nfs/dbraw/zinc/25/09/37/793250937.db2.gz BVQLEMIXMCVBPQ-UHFFFAOYSA-N 1 2 346.431 0.925 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(CCC)C(=O)c2csnn2)C1 ZINC001267475037 837503213 /nfs/dbraw/zinc/50/32/13/837503213.db2.gz MHSHGTBHRLRSOZ-OLZOCXBDSA-N 1 2 349.460 0.603 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(CCC)C(=O)c2csnn2)C1 ZINC001267475037 837503222 /nfs/dbraw/zinc/50/32/22/837503222.db2.gz MHSHGTBHRLRSOZ-OLZOCXBDSA-N 1 2 349.460 0.603 20 30 ECEDLO CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#CCOC)N1CCCC1=O ZINC001267536970 837715729 /nfs/dbraw/zinc/71/57/29/837715729.db2.gz AGUILFMUVJCLLC-IXDOHACOSA-N 1 2 347.459 0.712 20 30 ECEDLO CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#CCOC)N1CCCC1=O ZINC001267536970 837715734 /nfs/dbraw/zinc/71/57/34/837715734.db2.gz AGUILFMUVJCLLC-IXDOHACOSA-N 1 2 347.459 0.712 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cn[nH]n2)C1 ZINC001267544802 837734931 /nfs/dbraw/zinc/73/49/31/837734931.db2.gz UEQQFIGNGJLZAA-CHWSQXEVSA-N 1 2 334.424 0.422 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(CCC)C(=O)c2cn[nH]n2)C1 ZINC001267544802 837734938 /nfs/dbraw/zinc/73/49/38/837734938.db2.gz UEQQFIGNGJLZAA-CHWSQXEVSA-N 1 2 334.424 0.422 20 30 ECEDLO CC(C)c1cc(C(=O)N(C)CC[NH+]2CCN(CC#N)CC2)nn1C ZINC001267572240 837807340 /nfs/dbraw/zinc/80/73/40/837807340.db2.gz HYYVRROIQZDIQP-UHFFFAOYSA-N 1 2 332.452 0.757 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)CC[NH+]1CCN(Cc2cc(C)on2)CC1 ZINC001267572213 837808105 /nfs/dbraw/zinc/80/81/05/837808105.db2.gz GXTFJYAZUWBOOH-MRXNPFEDSA-N 1 2 348.447 0.597 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CCN(C)C(=O)[C@H]2CC23CCC3)CC1 ZINC001267575734 837828643 /nfs/dbraw/zinc/82/86/43/837828643.db2.gz JGVZCQXYQVQZEX-MRXNPFEDSA-N 1 2 346.475 0.002 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@H](OC)C(F)(F)F)C1 ZINC001266245613 835550874 /nfs/dbraw/zinc/55/08/74/835550874.db2.gz DEBFBIWJXMBXAL-NEPJUHHUSA-N 1 2 349.353 0.284 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H](OC)C(F)(F)F)C1 ZINC001266245613 835550880 /nfs/dbraw/zinc/55/08/80/835550880.db2.gz DEBFBIWJXMBXAL-NEPJUHHUSA-N 1 2 349.353 0.284 20 30 ECEDLO C#CCCN1CC[NH+](CCCNC(=O)[C@H]2CCCc3nn[nH]c32)CC1 ZINC001266272182 835594119 /nfs/dbraw/zinc/59/41/19/835594119.db2.gz YEGIEPFOYDFPJQ-HNNXBMFYSA-N 1 2 344.463 0.372 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cc(-c2ccn(C)c2)n[nH]1 ZINC001266280864 835609379 /nfs/dbraw/zinc/60/93/79/835609379.db2.gz WTLGLUMCKFUEJZ-UHFFFAOYSA-N 1 2 344.419 0.379 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cc(-c2ccn(C)c2)n[nH]1 ZINC001266280864 835609384 /nfs/dbraw/zinc/60/93/84/835609384.db2.gz WTLGLUMCKFUEJZ-UHFFFAOYSA-N 1 2 344.419 0.379 20 30 ECEDLO N#CCN1CC[NH+](CCNC(=O)c2ccc3oc(=O)[nH]c3c2)CC1 ZINC001266285864 835621810 /nfs/dbraw/zinc/62/18/10/835621810.db2.gz PYKUKYVUZRVLLU-UHFFFAOYSA-N 1 2 329.360 0.404 20 30 ECEDLO C#CCN1CC[NH+](CCNC(=O)c2ccc3c(c2)N(C)CCO3)CC1 ZINC001266288036 835630678 /nfs/dbraw/zinc/63/06/78/835630678.db2.gz OSLHOZUACRQRPN-UHFFFAOYSA-N 1 2 342.443 0.496 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCCc2cccnc21 ZINC001266313818 835680861 /nfs/dbraw/zinc/68/08/61/835680861.db2.gz PSIFIQLKMPNJIB-OAHLLOKOSA-N 1 2 328.416 0.299 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCCc2cccnc21 ZINC001266313818 835680866 /nfs/dbraw/zinc/68/08/66/835680866.db2.gz PSIFIQLKMPNJIB-OAHLLOKOSA-N 1 2 328.416 0.299 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCc2ccco2)C1 ZINC001266319399 835689146 /nfs/dbraw/zinc/68/91/46/835689146.db2.gz LMCAFPVHIOEZLL-CQSZACIVSA-N 1 2 333.388 0.126 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCc2ccco2)C1 ZINC001266319399 835689150 /nfs/dbraw/zinc/68/91/50/835689150.db2.gz LMCAFPVHIOEZLL-CQSZACIVSA-N 1 2 333.388 0.126 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(OC(C)C)nc2)C1 ZINC001266322237 835695543 /nfs/dbraw/zinc/69/55/43/835695543.db2.gz CUBUTXMUFNPMHI-OAHLLOKOSA-N 1 2 344.415 0.422 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(OC(C)C)nc2)C1 ZINC001266322237 835695547 /nfs/dbraw/zinc/69/55/47/835695547.db2.gz CUBUTXMUFNPMHI-OAHLLOKOSA-N 1 2 344.415 0.422 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC2(c3ccccc3)CC2)C1 ZINC001266323072 835697187 /nfs/dbraw/zinc/69/71/87/835697187.db2.gz ULTJFBFIBLQVGO-INIZCTEOSA-N 1 2 340.427 0.939 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC2(c3ccccc3)CC2)C1 ZINC001266323072 835697190 /nfs/dbraw/zinc/69/71/90/835697190.db2.gz ULTJFBFIBLQVGO-INIZCTEOSA-N 1 2 340.427 0.939 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn3ccc(C)cc3n2)C1 ZINC001266327544 835708121 /nfs/dbraw/zinc/70/81/21/835708121.db2.gz HJLWXEGJUDIPIJ-AWEZNQCLSA-N 1 2 341.415 0.749 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn3ccc(C)cc3n2)C1 ZINC001266327544 835708128 /nfs/dbraw/zinc/70/81/28/835708128.db2.gz HJLWXEGJUDIPIJ-AWEZNQCLSA-N 1 2 341.415 0.749 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C)cn3ccnc23)C1 ZINC001266331225 835712479 /nfs/dbraw/zinc/71/24/79/835712479.db2.gz NOTSYCUGHHMCDW-AWEZNQCLSA-N 1 2 339.399 0.196 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)cn3ccnc23)C1 ZINC001266331225 835712483 /nfs/dbraw/zinc/71/24/83/835712483.db2.gz NOTSYCUGHHMCDW-AWEZNQCLSA-N 1 2 339.399 0.196 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccnc3ccncc32)C1 ZINC001266332920 835714914 /nfs/dbraw/zinc/71/49/14/835714914.db2.gz CKUDPMWEEGJFLW-CYBMUJFWSA-N 1 2 337.383 0.183 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccnc3ccncc32)C1 ZINC001266332920 835714918 /nfs/dbraw/zinc/71/49/18/835714918.db2.gz CKUDPMWEEGJFLW-CYBMUJFWSA-N 1 2 337.383 0.183 20 30 ECEDLO Cn1ccc2c1cccc2C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001266347362 835738426 /nfs/dbraw/zinc/73/84/26/835738426.db2.gz MZOVPLAEEZQOEW-ZDUSSCGKSA-N 1 2 339.399 0.622 20 30 ECEDLO Cn1ccc2c1cccc2C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001266347362 835738437 /nfs/dbraw/zinc/73/84/37/835738437.db2.gz MZOVPLAEEZQOEW-ZDUSSCGKSA-N 1 2 339.399 0.622 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccncn2)C1 ZINC001266348262 835742621 /nfs/dbraw/zinc/74/26/21/835742621.db2.gz YFEKDNYEKSEOIQ-AWEZNQCLSA-N 1 2 329.404 0.481 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](NC(=O)c2ccncn2)C1 ZINC001266348262 835742629 /nfs/dbraw/zinc/74/26/29/835742629.db2.gz YFEKDNYEKSEOIQ-AWEZNQCLSA-N 1 2 329.404 0.481 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cn(CCC)nn2)C1 ZINC001266350390 835746797 /nfs/dbraw/zinc/74/67/97/835746797.db2.gz SPKJTIRFYRLBMH-QWHCGFSZSA-N 1 2 334.424 0.183 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cn(CCC)nn2)C1 ZINC001266350390 835746800 /nfs/dbraw/zinc/74/68/00/835746800.db2.gz SPKJTIRFYRLBMH-QWHCGFSZSA-N 1 2 334.424 0.183 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1cc(C)n(CC2CC2)c1C ZINC001266350634 835747335 /nfs/dbraw/zinc/74/73/35/835747335.db2.gz PFRMYOCROHRYCV-UHFFFAOYSA-N 1 2 344.459 0.926 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1cc(C)n(CC2CC2)c1C ZINC001266350634 835747342 /nfs/dbraw/zinc/74/73/42/835747342.db2.gz PFRMYOCROHRYCV-UHFFFAOYSA-N 1 2 344.459 0.926 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc3n[nH]nc3c2)C1 ZINC001266359320 835767036 /nfs/dbraw/zinc/76/70/36/835767036.db2.gz SKQGPFXMCJKVBX-LBPRGKRZSA-N 1 2 328.376 0.064 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc3n[nH]nc3c2)C1 ZINC001266359320 835767045 /nfs/dbraw/zinc/76/70/45/835767045.db2.gz SKQGPFXMCJKVBX-LBPRGKRZSA-N 1 2 328.376 0.064 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001266361405 835770484 /nfs/dbraw/zinc/77/04/84/835770484.db2.gz MOFWPYKEQMOJJG-IUODEOHRSA-N 1 2 345.830 0.920 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001266361405 835770495 /nfs/dbraw/zinc/77/04/95/835770495.db2.gz MOFWPYKEQMOJJG-IUODEOHRSA-N 1 2 345.830 0.920 20 30 ECEDLO C=CC(C)(C)C(=O)N[C@H]1CC12CC[NH+](Cc1nc(=O)n(C)[nH]1)CC2 ZINC001266377354 835789246 /nfs/dbraw/zinc/78/92/46/835789246.db2.gz UUDPEFWGSPNRGL-LBPRGKRZSA-N 1 2 333.436 0.791 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@H]1CCC[N@H+]1Cc1cncc(OC)n1 ZINC001266461672 835862996 /nfs/dbraw/zinc/86/29/96/835862996.db2.gz UEIKFBYCIUVVGK-PBHICJAKSA-N 1 2 334.420 0.893 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@H]1CCC[N@@H+]1Cc1cncc(OC)n1 ZINC001266461672 835863002 /nfs/dbraw/zinc/86/30/02/835863002.db2.gz UEIKFBYCIUVVGK-PBHICJAKSA-N 1 2 334.420 0.893 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)nnc1CC ZINC001266471110 835872645 /nfs/dbraw/zinc/87/26/45/835872645.db2.gz IIPPKZMGMPYLSD-CQSZACIVSA-N 1 2 343.431 0.291 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)nnc1CC ZINC001266471110 835872654 /nfs/dbraw/zinc/87/26/54/835872654.db2.gz IIPPKZMGMPYLSD-CQSZACIVSA-N 1 2 343.431 0.291 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc(C2CC2)nc1 ZINC001266487225 835887583 /nfs/dbraw/zinc/88/75/83/835887583.db2.gz WNXZZWJGDWIHIE-CQSZACIVSA-N 1 2 342.403 0.188 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnc(C2CC2)nc1 ZINC001266487225 835887590 /nfs/dbraw/zinc/88/75/90/835887590.db2.gz WNXZZWJGDWIHIE-CQSZACIVSA-N 1 2 342.403 0.188 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccccc1F ZINC001266492301 835891383 /nfs/dbraw/zinc/89/13/83/835891383.db2.gz MRPDRSVDUMYBIG-CQSZACIVSA-N 1 2 332.379 0.589 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccccc1F ZINC001266492301 835891389 /nfs/dbraw/zinc/89/13/89/835891389.db2.gz MRPDRSVDUMYBIG-CQSZACIVSA-N 1 2 332.379 0.589 20 30 ECEDLO CO[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCC#N)C1CCCC1 ZINC001266492392 835893198 /nfs/dbraw/zinc/89/31/98/835893198.db2.gz ODXPTRWEUCEUAK-GDBMZVCRSA-N 1 2 336.436 0.412 20 30 ECEDLO CO[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NCC#N)C1CCCC1 ZINC001266492392 835893203 /nfs/dbraw/zinc/89/32/03/835893203.db2.gz ODXPTRWEUCEUAK-GDBMZVCRSA-N 1 2 336.436 0.412 20 30 ECEDLO C=C(Cl)C[N@H+](CCNC(=O)CCN1C(=O)CCC1=O)C1CC1 ZINC001266600070 836033558 /nfs/dbraw/zinc/03/35/58/836033558.db2.gz HWVOLYIHZMLYNY-UHFFFAOYSA-N 1 2 327.812 0.859 20 30 ECEDLO C=C(Cl)C[N@@H+](CCNC(=O)CCN1C(=O)CCC1=O)C1CC1 ZINC001266600070 836033569 /nfs/dbraw/zinc/03/35/69/836033569.db2.gz HWVOLYIHZMLYNY-UHFFFAOYSA-N 1 2 327.812 0.859 20 30 ECEDLO CCS(=O)(=O)NCC[N@@H+]1CCCC[C@@H]1CNC(=O)C#CC(C)C ZINC001266842934 836369402 /nfs/dbraw/zinc/36/94/02/836369402.db2.gz XSNJUNCHODCKKW-OAHLLOKOSA-N 1 2 343.493 0.556 20 30 ECEDLO CCS(=O)(=O)NCC[N@H+]1CCCC[C@@H]1CNC(=O)C#CC(C)C ZINC001266842934 836369410 /nfs/dbraw/zinc/36/94/10/836369410.db2.gz XSNJUNCHODCKKW-OAHLLOKOSA-N 1 2 343.493 0.556 20 30 ECEDLO CN(CCNC(=O)c1ccc(C#N)[nH]1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001408550931 836603996 /nfs/dbraw/zinc/60/39/96/836603996.db2.gz YWLNVDVITYZYIQ-UHFFFAOYSA-N 1 2 328.376 0.775 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2nnc(OCC)s2)C1 ZINC001267010085 836609010 /nfs/dbraw/zinc/60/90/10/836609010.db2.gz IHOKTLPQHRUPPA-NEPJUHHUSA-N 1 2 338.433 0.666 20 30 ECEDLO CN(CCNC(=O)c1c[nH]c(C#N)c1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001408553762 836643370 /nfs/dbraw/zinc/64/33/70/836643370.db2.gz PQOWMORHTDIUFI-GFCCVEGCSA-N 1 2 340.387 0.534 20 30 ECEDLO C[N@H+](CCNC(=O)c1c(F)ccc2ccncc21)CC(=O)NCC#N ZINC001267198641 836967725 /nfs/dbraw/zinc/96/77/25/836967725.db2.gz WYWIUBDCHIXJCO-UHFFFAOYSA-N 1 2 343.362 0.675 20 30 ECEDLO C[N@@H+](CCNC(=O)c1c(F)ccc2ccncc21)CC(=O)NCC#N ZINC001267198641 836967741 /nfs/dbraw/zinc/96/77/41/836967741.db2.gz WYWIUBDCHIXJCO-UHFFFAOYSA-N 1 2 343.362 0.675 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CCc2ccccc21 ZINC001267223200 837018297 /nfs/dbraw/zinc/01/82/97/837018297.db2.gz DUIADGMYRFWHBX-INIZCTEOSA-N 1 2 327.428 0.904 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CCc2ccccc21 ZINC001267223200 837018303 /nfs/dbraw/zinc/01/83/03/837018303.db2.gz DUIADGMYRFWHBX-INIZCTEOSA-N 1 2 327.428 0.904 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCC(C)(C)C ZINC001267266763 837103968 /nfs/dbraw/zinc/10/39/68/837103968.db2.gz ILONBYFNBNLXMU-LSDHHAIUSA-N 1 2 337.464 0.768 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NCC(C)(C)C ZINC001267266763 837103972 /nfs/dbraw/zinc/10/39/72/837103972.db2.gz ILONBYFNBNLXMU-LSDHHAIUSA-N 1 2 337.464 0.768 20 30 ECEDLO Cn1[nH]c(C[NH2+][C@H](CNC(=O)C#CC2CC2)c2ccccc2)nc1=O ZINC001267357632 837246291 /nfs/dbraw/zinc/24/62/91/837246291.db2.gz QJEIQDJDYYUMEZ-OAHLLOKOSA-N 1 2 339.399 0.469 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)c1cc(C2CC2)n(C)n1 ZINC001267607529 837950682 /nfs/dbraw/zinc/95/06/82/837950682.db2.gz LQSWKVVNZSKYQN-UHFFFAOYSA-N 1 2 330.436 0.511 20 30 ECEDLO Cc1nn(C)cc1C[NH+]1CCN(CCN(C)C(=O)C#CC(C)C)CC1 ZINC001267607824 837951553 /nfs/dbraw/zinc/95/15/53/837951553.db2.gz WKZIZSMEZIAERM-UHFFFAOYSA-N 1 2 345.491 0.964 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cocn2)C1 ZINC001267609767 837971466 /nfs/dbraw/zinc/97/14/66/837971466.db2.gz BWQWXRSAPQEWOI-VXGBXAGGSA-N 1 2 349.391 0.269 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cocn2)C1 ZINC001267609767 837971474 /nfs/dbraw/zinc/97/14/74/837971474.db2.gz BWQWXRSAPQEWOI-VXGBXAGGSA-N 1 2 349.391 0.269 20 30 ECEDLO COCC#CC[NH+]1CCN(CCN(C)C(=O)c2oncc2C)CC1 ZINC001267617232 838037369 /nfs/dbraw/zinc/03/73/69/838037369.db2.gz AZIDFBASOMMWGH-UHFFFAOYSA-N 1 2 334.420 0.322 20 30 ECEDLO CCc1c[nH]c(=O)c(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NCC#N)C2)c1 ZINC001267619514 838054110 /nfs/dbraw/zinc/05/41/10/838054110.db2.gz PYHJRRHGNFHMBE-CYBMUJFWSA-N 1 2 345.403 0.184 20 30 ECEDLO CCc1c[nH]c(=O)c(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NCC#N)C2)c1 ZINC001267619514 838054125 /nfs/dbraw/zinc/05/41/25/838054125.db2.gz PYHJRRHGNFHMBE-CYBMUJFWSA-N 1 2 345.403 0.184 20 30 ECEDLO Cc1ccc(F)c(CC(=O)N[C@@H]2CCC[N@H+](CC(=O)NCC#N)C2)c1 ZINC001267619996 838055615 /nfs/dbraw/zinc/05/56/15/838055615.db2.gz NWUQXMAVAGHHJP-OAHLLOKOSA-N 1 2 346.406 0.897 20 30 ECEDLO Cc1ccc(F)c(CC(=O)N[C@@H]2CCC[N@@H+](CC(=O)NCC#N)C2)c1 ZINC001267619996 838055630 /nfs/dbraw/zinc/05/56/30/838055630.db2.gz NWUQXMAVAGHHJP-OAHLLOKOSA-N 1 2 346.406 0.897 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)/C(C)=C\C)C1 ZINC001267624125 838068856 /nfs/dbraw/zinc/06/88/56/838068856.db2.gz RAAFZIBQPKJOFB-MJMIMOCRSA-N 1 2 336.436 0.934 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)/C(C)=C\C)C1 ZINC001267624125 838068869 /nfs/dbraw/zinc/06/88/69/838068869.db2.gz RAAFZIBQPKJOFB-MJMIMOCRSA-N 1 2 336.436 0.934 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCc2cncs2)C1 ZINC001267631346 838090524 /nfs/dbraw/zinc/09/05/24/838090524.db2.gz DRGQFSSWKNZFCS-LBPRGKRZSA-N 1 2 335.433 0.296 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCc2cncs2)C1 ZINC001267631346 838090530 /nfs/dbraw/zinc/09/05/30/838090530.db2.gz DRGQFSSWKNZFCS-LBPRGKRZSA-N 1 2 335.433 0.296 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2ncccc2OC)C1 ZINC001267634380 838101733 /nfs/dbraw/zinc/10/17/33/838101733.db2.gz VPVXVCKIPNBEHG-ZDUSSCGKSA-N 1 2 330.388 0.034 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2ncccc2OC)C1 ZINC001267634380 838101738 /nfs/dbraw/zinc/10/17/38/838101738.db2.gz VPVXVCKIPNBEHG-ZDUSSCGKSA-N 1 2 330.388 0.034 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@H](OCC)C2CCCC2)C1 ZINC001267685924 838253310 /nfs/dbraw/zinc/25/33/10/838253310.db2.gz JJJSZRNGNQJTJV-WMLDXEAASA-N 1 2 349.475 0.768 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)CCc2cncs2)C1 ZINC001267692653 838274487 /nfs/dbraw/zinc/27/44/87/838274487.db2.gz KCECUMZWXSQCJX-LBPRGKRZSA-N 1 2 334.445 0.262 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001267697554 838287176 /nfs/dbraw/zinc/28/71/76/838287176.db2.gz LTFYGXCTELKPJX-DLBZAZTESA-N 1 2 325.412 0.588 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2C[NH+](CC(=O)N(C)CC3CC3)C2)nc1 ZINC001267698140 838288798 /nfs/dbraw/zinc/28/87/98/838288798.db2.gz XDHKXPMVRGLZHT-UHFFFAOYSA-N 1 2 340.427 0.593 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1=CCOCC1 ZINC001267705305 838309372 /nfs/dbraw/zinc/30/93/72/838309372.db2.gz VOHMPYOVBBWCBV-IRXDYDNUSA-N 1 2 345.443 0.819 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1=CCOCC1 ZINC001267705305 838309382 /nfs/dbraw/zinc/30/93/82/838309382.db2.gz VOHMPYOVBBWCBV-IRXDYDNUSA-N 1 2 345.443 0.819 20 30 ECEDLO CC(C)(C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1)C1CCOCC1 ZINC001267726625 838404860 /nfs/dbraw/zinc/40/48/60/838404860.db2.gz QNABXHSXXGXGOB-AWEZNQCLSA-N 1 2 336.436 0.269 20 30 ECEDLO CC(C)(C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1)C1CCOCC1 ZINC001267726625 838404865 /nfs/dbraw/zinc/40/48/65/838404865.db2.gz QNABXHSXXGXGOB-AWEZNQCLSA-N 1 2 336.436 0.269 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001267727576 838408188 /nfs/dbraw/zinc/40/81/88/838408188.db2.gz JBPYOALARHVZBI-ZDUSSCGKSA-N 1 2 343.362 0.751 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001267727576 838408190 /nfs/dbraw/zinc/40/81/90/838408190.db2.gz JBPYOALARHVZBI-ZDUSSCGKSA-N 1 2 343.362 0.751 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC001267738033 838435256 /nfs/dbraw/zinc/43/52/56/838435256.db2.gz MYIDVUOAUWOXCH-GFCCVEGCSA-N 1 2 340.424 0.004 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC001267738033 838435259 /nfs/dbraw/zinc/43/52/59/838435259.db2.gz MYIDVUOAUWOXCH-GFCCVEGCSA-N 1 2 340.424 0.004 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C(C)C)C1 ZINC001267743058 838443892 /nfs/dbraw/zinc/44/38/92/838443892.db2.gz KKTLCHLAUGIRKJ-CYBMUJFWSA-N 1 2 338.452 0.871 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(C)C)C1 ZINC001267743058 838443895 /nfs/dbraw/zinc/44/38/95/838443895.db2.gz KKTLCHLAUGIRKJ-CYBMUJFWSA-N 1 2 338.452 0.871 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(N(C)C)cc2F)C1 ZINC001267744191 838446216 /nfs/dbraw/zinc/44/62/16/838446216.db2.gz IPGQRRULJPBACC-CYBMUJFWSA-N 1 2 346.406 0.445 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(N(C)C)cc2F)C1 ZINC001267744191 838446218 /nfs/dbraw/zinc/44/62/18/838446218.db2.gz IPGQRRULJPBACC-CYBMUJFWSA-N 1 2 346.406 0.445 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cnc(Cl)n2C)C1 ZINC001267744621 838447498 /nfs/dbraw/zinc/44/74/98/838447498.db2.gz GGMZSLDGUKCLLM-GHMZBOCLSA-N 1 2 337.811 0.016 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cnc(Cl)n2C)C1 ZINC001267744621 838447499 /nfs/dbraw/zinc/44/74/99/838447499.db2.gz GGMZSLDGUKCLLM-GHMZBOCLSA-N 1 2 337.811 0.016 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(C)C)C1 ZINC001267750128 838468533 /nfs/dbraw/zinc/46/85/33/838468533.db2.gz TVOJOOZGWUMDGJ-HUUCEWRRSA-N 1 2 338.452 0.172 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(C)C)C1 ZINC001267750128 838468536 /nfs/dbraw/zinc/46/85/36/838468536.db2.gz TVOJOOZGWUMDGJ-HUUCEWRRSA-N 1 2 338.452 0.172 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(=O)NCCC)C2)nc1 ZINC001267751561 838472706 /nfs/dbraw/zinc/47/27/06/838472706.db2.gz DZSDVPMAZJJITD-UKRRQHHQSA-N 1 2 328.416 0.782 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(=O)NCCC)C2)nc1 ZINC001267751561 838472712 /nfs/dbraw/zinc/47/27/12/838472712.db2.gz DZSDVPMAZJJITD-UKRRQHHQSA-N 1 2 328.416 0.782 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C[C@@H](C)CS(C)(=O)=O)C2)nc1 ZINC001267752330 838473714 /nfs/dbraw/zinc/47/37/14/838473714.db2.gz XBOAYJWSSVNYLX-UKRRQHHQSA-N 1 2 349.456 0.548 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C[C@@H](C)CS(C)(=O)=O)C2)nc1 ZINC001267752330 838473720 /nfs/dbraw/zinc/47/37/20/838473720.db2.gz XBOAYJWSSVNYLX-UKRRQHHQSA-N 1 2 349.456 0.548 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(F)c(OC)c2)C1 ZINC001267774797 838537544 /nfs/dbraw/zinc/53/75/44/838537544.db2.gz ZHSUVOXFDZOLBX-AWEZNQCLSA-N 1 2 347.390 0.730 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(F)c(OC)c2)C1 ZINC001267774797 838537547 /nfs/dbraw/zinc/53/75/47/838537547.db2.gz ZHSUVOXFDZOLBX-AWEZNQCLSA-N 1 2 347.390 0.730 20 30 ECEDLO CCN(C(=O)c1cnn(CC)c1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267783615 838558688 /nfs/dbraw/zinc/55/86/88/838558688.db2.gz CJOFNWFCRCRDMC-CQSZACIVSA-N 1 2 332.408 0.079 20 30 ECEDLO CCN(C(=O)c1cnn(CC)c1)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267783615 838558695 /nfs/dbraw/zinc/55/86/95/838558695.db2.gz CJOFNWFCRCRDMC-CQSZACIVSA-N 1 2 332.408 0.079 20 30 ECEDLO CCN(C(=O)C#CC1CC1)[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC001267784979 838561331 /nfs/dbraw/zinc/56/13/31/838561331.db2.gz SRMMPCXWITUZRW-DLBZAZTESA-N 1 2 347.459 0.618 20 30 ECEDLO CCN(C(=O)C#CC1CC1)[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC001267784979 838561339 /nfs/dbraw/zinc/56/13/39/838561339.db2.gz SRMMPCXWITUZRW-DLBZAZTESA-N 1 2 347.459 0.618 20 30 ECEDLO CCN(C(=O)C#CC1CC1)[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCOC2)C1 ZINC001267786205 838562128 /nfs/dbraw/zinc/56/21/28/838562128.db2.gz JYBCTFIDFZRECZ-IAGOWNOFSA-N 1 2 347.459 0.475 20 30 ECEDLO CCN(C(=O)C#CC1CC1)[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCOC2)C1 ZINC001267786205 838562133 /nfs/dbraw/zinc/56/21/33/838562133.db2.gz JYBCTFIDFZRECZ-IAGOWNOFSA-N 1 2 347.459 0.475 20 30 ECEDLO Cc1ccc(C(=O)N2CCC3(C[NH+](CC(=O)NCC#N)C3)CC2)o1 ZINC001268042068 839185904 /nfs/dbraw/zinc/18/59/04/839185904.db2.gz JQBLRQLNOBOVKG-UHFFFAOYSA-N 1 2 330.388 0.766 20 30 ECEDLO COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000427419804 210198225 /nfs/dbraw/zinc/19/82/25/210198225.db2.gz HHURZNCWPULWLY-GFCCVEGCSA-N 1 2 346.387 0.030 20 30 ECEDLO COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000427419804 210198229 /nfs/dbraw/zinc/19/82/29/210198229.db2.gz HHURZNCWPULWLY-GFCCVEGCSA-N 1 2 346.387 0.030 20 30 ECEDLO N#Cc1ncn(CC(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)n1 ZINC000426882103 210168633 /nfs/dbraw/zinc/16/86/33/210168633.db2.gz MNJJIZHTZGRQNQ-UHFFFAOYSA-N 1 2 326.360 0.200 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000267433488 251052741 /nfs/dbraw/zinc/05/27/41/251052741.db2.gz FCDGQVZBJXJHSP-VXGBXAGGSA-N 1 2 339.465 0.496 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc(F)cc1C#N ZINC000267694809 251262744 /nfs/dbraw/zinc/26/27/44/251262744.db2.gz YYEAHDONTCILBF-CQSZACIVSA-N 1 2 336.367 0.854 20 30 ECEDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000268642347 252094492 /nfs/dbraw/zinc/09/44/92/252094492.db2.gz DRTOUZRBVZOWEU-OAHLLOKOSA-N 1 2 331.372 0.691 20 30 ECEDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000268642347 252094497 /nfs/dbraw/zinc/09/44/97/252094497.db2.gz DRTOUZRBVZOWEU-OAHLLOKOSA-N 1 2 331.372 0.691 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C(C)(C)CSC)CC1 ZINC000282313669 254554020 /nfs/dbraw/zinc/55/40/20/254554020.db2.gz TYJXJDJLRZEMLY-UHFFFAOYSA-N 1 2 325.478 0.659 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)CSC)CC1 ZINC000282313669 254554021 /nfs/dbraw/zinc/55/40/21/254554021.db2.gz TYJXJDJLRZEMLY-UHFFFAOYSA-N 1 2 325.478 0.659 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1COC(=O)NC1CC1 ZINC000496712322 255123868 /nfs/dbraw/zinc/12/38/68/255123868.db2.gz KKGWLHNUJHPFML-CYBMUJFWSA-N 1 2 338.408 0.741 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1COC(=O)NC1CC1 ZINC000496712322 255123870 /nfs/dbraw/zinc/12/38/70/255123870.db2.gz KKGWLHNUJHPFML-CYBMUJFWSA-N 1 2 338.408 0.741 20 30 ECEDLO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000496431207 255099444 /nfs/dbraw/zinc/09/94/44/255099444.db2.gz FNQJJAYOZKHATJ-INIZCTEOSA-N 1 2 340.424 0.320 20 30 ECEDLO N#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000155789055 224469680 /nfs/dbraw/zinc/46/96/80/224469680.db2.gz TUTGJMPANVJAGG-INIZCTEOSA-N 1 2 342.399 0.820 20 30 ECEDLO Cc1conc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077956668 782010337 /nfs/dbraw/zinc/01/03/37/782010337.db2.gz TZZQUQAWERIEAM-HUUCEWRRSA-N 1 2 326.356 0.830 20 30 ECEDLO Cc1conc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077956668 782010347 /nfs/dbraw/zinc/01/03/47/782010347.db2.gz TZZQUQAWERIEAM-HUUCEWRRSA-N 1 2 326.356 0.830 20 30 ECEDLO N#Cc1cnc(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000123052725 222207883 /nfs/dbraw/zinc/20/78/83/222207883.db2.gz VHGOYKNOACHLQQ-UHFFFAOYSA-N 1 2 337.387 0.894 20 30 ECEDLO COCCOCC[NH+]1CCN(C(=O)Nc2nn(C)cc2C#N)CC1 ZINC000602889654 421269944 /nfs/dbraw/zinc/26/99/44/421269944.db2.gz YJQKOUYSDZWPEG-UHFFFAOYSA-N 1 2 336.396 0.104 20 30 ECEDLO CN(C)S(=O)(=O)CC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000285051273 264273590 /nfs/dbraw/zinc/27/35/90/264273590.db2.gz CUMVQSYMHLSQRC-UHFFFAOYSA-N 1 2 340.424 0.711 20 30 ECEDLO N#Cc1ncn(CCNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)n1 ZINC000286220250 264381231 /nfs/dbraw/zinc/38/12/31/264381231.db2.gz CAAUZUYGTHXVTP-GFCCVEGCSA-N 1 2 328.380 0.261 20 30 ECEDLO N#Cc1ncn(CCNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)n1 ZINC000286220250 264381232 /nfs/dbraw/zinc/38/12/32/264381232.db2.gz CAAUZUYGTHXVTP-GFCCVEGCSA-N 1 2 328.380 0.261 20 30 ECEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)cc1 ZINC000339420716 270006018 /nfs/dbraw/zinc/00/60/18/270006018.db2.gz XGIHACMYKIYXAO-CVEARBPZSA-N 1 2 340.387 0.506 20 30 ECEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)cc1 ZINC000339420716 270006019 /nfs/dbraw/zinc/00/60/19/270006019.db2.gz XGIHACMYKIYXAO-CVEARBPZSA-N 1 2 340.387 0.506 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)c2cc(C#N)cn2C)C1=O ZINC000360913659 270007230 /nfs/dbraw/zinc/00/72/30/270007230.db2.gz LZZWZMKMZDEGQD-CYBMUJFWSA-N 1 2 340.387 0.551 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1=O ZINC000360896253 270007281 /nfs/dbraw/zinc/00/72/81/270007281.db2.gz FEHTZDLHRVSVBQ-CYBMUJFWSA-N 1 2 326.360 0.541 20 30 ECEDLO CC[N@@H+]1CCO[C@@H](C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 ZINC000363043670 266153883 /nfs/dbraw/zinc/15/38/83/266153883.db2.gz FMMWLSLZVGCLMW-OAHLLOKOSA-N 1 2 340.387 0.857 20 30 ECEDLO CC[N@H+]1CCO[C@@H](C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 ZINC000363043670 266153886 /nfs/dbraw/zinc/15/38/86/266153886.db2.gz FMMWLSLZVGCLMW-OAHLLOKOSA-N 1 2 340.387 0.857 20 30 ECEDLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)N1CCOCC1 ZINC000332530031 267127113 /nfs/dbraw/zinc/12/71/13/267127113.db2.gz POTBXNJCJZOEIQ-MRXNPFEDSA-N 1 2 342.443 0.923 20 30 ECEDLO C[N@@H+](CC(N)=O)C[C@H]1CN(c2ncc3c(c2C#N)CCC3)CCO1 ZINC000425261802 267302879 /nfs/dbraw/zinc/30/28/79/267302879.db2.gz ZNWCZNVXOUKLCI-ZDUSSCGKSA-N 1 2 329.404 0.064 20 30 ECEDLO C[N@H+](CC(N)=O)C[C@H]1CN(c2ncc3c(c2C#N)CCC3)CCO1 ZINC000425261802 267302881 /nfs/dbraw/zinc/30/28/81/267302881.db2.gz ZNWCZNVXOUKLCI-ZDUSSCGKSA-N 1 2 329.404 0.064 20 30 ECEDLO N#Cc1ccc(N2CCN(C[C@@H](O)C[NH+]3CCOCC3)CC2)c(F)c1 ZINC000303262748 268116793 /nfs/dbraw/zinc/11/67/93/268116793.db2.gz QFRASRHJVOHOPS-MRXNPFEDSA-N 1 2 348.422 0.512 20 30 ECEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@H]4OCC(=O)N[C@H]4C3)C2=O)cc1 ZINC000333825550 268127068 /nfs/dbraw/zinc/12/70/68/268127068.db2.gz JXFNWEQDWYQBMA-JYJNAYRXSA-N 1 2 340.383 0.253 20 30 ECEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@@H]4OCC(=O)N[C@H]4C3)C2=O)cc1 ZINC000333825550 268127071 /nfs/dbraw/zinc/12/70/71/268127071.db2.gz JXFNWEQDWYQBMA-JYJNAYRXSA-N 1 2 340.383 0.253 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)s1 ZINC000373826545 268193965 /nfs/dbraw/zinc/19/39/65/268193965.db2.gz XYFQVXRXRBDJII-QWHCGFSZSA-N 1 2 341.458 0.839 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)o1 ZINC000376353034 268194116 /nfs/dbraw/zinc/19/41/16/268194116.db2.gz PYUWOZQFYAIEIY-CHWSQXEVSA-N 1 2 325.390 0.371 20 30 ECEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1 ZINC000292918344 268266720 /nfs/dbraw/zinc/26/67/20/268266720.db2.gz HZRGEZIOSVYAAO-MRXNPFEDSA-N 1 2 340.387 0.918 20 30 ECEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1 ZINC000292918344 268266722 /nfs/dbraw/zinc/26/67/22/268266722.db2.gz HZRGEZIOSVYAAO-MRXNPFEDSA-N 1 2 340.387 0.918 20 30 ECEDLO N#Cc1cccc(CC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)c1 ZINC000530670364 268272984 /nfs/dbraw/zinc/27/29/84/268272984.db2.gz XRJBPVGYRUGPIS-UHFFFAOYSA-N 1 2 340.427 0.867 20 30 ECEDLO N#Cc1ccccc1OCC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000343030429 268279069 /nfs/dbraw/zinc/27/90/69/268279069.db2.gz OJUJJBAPACSABB-UHFFFAOYSA-N 1 2 333.388 0.090 20 30 ECEDLO C[C@@H](C(=O)NCC(=O)NCC#N)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000343505803 437595564 /nfs/dbraw/zinc/59/55/64/437595564.db2.gz AMTGEWYEJOYUGT-ZDUSSCGKSA-N 1 2 347.394 0.092 20 30 ECEDLO CC(C)(C)NC(=O)NC(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000356051059 278362872 /nfs/dbraw/zinc/36/28/72/278362872.db2.gz AUBOFANHHSNXIC-UHFFFAOYSA-N 1 2 339.440 0.159 20 30 ECEDLO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cccc(C)c2C#N)CC1 ZINC000180297247 288111569 /nfs/dbraw/zinc/11/15/69/288111569.db2.gz GVKRWNWDEULQMK-AWEZNQCLSA-N 1 2 337.445 0.944 20 30 ECEDLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC[N@@H+]1CCO ZINC000190041043 437617725 /nfs/dbraw/zinc/61/77/25/437617725.db2.gz FIKYZFFXTBRTGI-LLVKDONJSA-N 1 2 334.351 0.161 20 30 ECEDLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC[N@H+]1CCO ZINC000190041043 437617729 /nfs/dbraw/zinc/61/77/29/437617729.db2.gz FIKYZFFXTBRTGI-LLVKDONJSA-N 1 2 334.351 0.161 20 30 ECEDLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCCS(C)(=O)=O ZINC000331225156 300241811 /nfs/dbraw/zinc/24/18/11/300241811.db2.gz MNNUFXMXRUNBAK-LBPRGKRZSA-N 1 2 335.470 0.112 20 30 ECEDLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCCS(C)(=O)=O ZINC000331225156 300241814 /nfs/dbraw/zinc/24/18/14/300241814.db2.gz MNNUFXMXRUNBAK-LBPRGKRZSA-N 1 2 335.470 0.112 20 30 ECEDLO C[S@@](=O)C1(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000329607049 300876939 /nfs/dbraw/zinc/87/69/39/300876939.db2.gz CGHNPVRZKNSQBE-WHEQGISXSA-N 1 2 329.466 0.608 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000024238838 436131833 /nfs/dbraw/zinc/13/18/33/436131833.db2.gz GAGCNABFHQEKSP-CYBMUJFWSA-N 1 2 332.404 0.915 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000032543180 436241878 /nfs/dbraw/zinc/24/18/78/436241878.db2.gz HSIPEYPHWVALRB-OAHLLOKOSA-N 1 2 349.479 0.423 20 30 ECEDLO CC[C@@H](C)NC(=O)CN1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000079031517 436287228 /nfs/dbraw/zinc/28/72/28/436287228.db2.gz PVAJBONLXPQHEH-HUUCEWRRSA-N 1 2 337.468 0.279 20 30 ECEDLO CCn1nc2c(cc1=O)C[N@H+]([C@@H](C(N)=O)c1ccc(C#N)cc1)CC2 ZINC000078619345 436273301 /nfs/dbraw/zinc/27/33/01/436273301.db2.gz DGRPFHOLJXUIRZ-QGZVFWFLSA-N 1 2 337.383 0.720 20 30 ECEDLO CCn1nc2c(cc1=O)C[N@@H+]([C@@H](C(N)=O)c1ccc(C#N)cc1)CC2 ZINC000078619345 436273305 /nfs/dbraw/zinc/27/33/05/436273305.db2.gz DGRPFHOLJXUIRZ-QGZVFWFLSA-N 1 2 337.383 0.720 20 30 ECEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCO[C@@H](C(N)=O)C1)CCC2 ZINC000051105934 436483487 /nfs/dbraw/zinc/48/34/87/436483487.db2.gz LAJFQPWNICOBNC-GFCCVEGCSA-N 1 2 348.428 0.623 20 30 ECEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCO[C@@H](C(N)=O)C1)CCC2 ZINC000051105934 436483491 /nfs/dbraw/zinc/48/34/91/436483491.db2.gz LAJFQPWNICOBNC-GFCCVEGCSA-N 1 2 348.428 0.623 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000052395374 436507878 /nfs/dbraw/zinc/50/78/78/436507878.db2.gz FTEJOKVSJYZUIO-LSDHHAIUSA-N 1 2 349.479 0.279 20 30 ECEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000052610739 436511277 /nfs/dbraw/zinc/51/12/77/436511277.db2.gz LQNQHJBUWVLVJY-UHFFFAOYSA-N 1 2 346.391 0.874 20 30 ECEDLO C#CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2[nH+]ccn2C)c1 ZINC000053371216 436529606 /nfs/dbraw/zinc/52/96/06/436529606.db2.gz RBIORIXQRDPAMU-UHFFFAOYSA-N 1 2 346.412 0.604 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000054395101 436551405 /nfs/dbraw/zinc/55/14/05/436551405.db2.gz UUOHQBBSRQURHS-CQSZACIVSA-N 1 2 330.388 0.561 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000054395101 436551408 /nfs/dbraw/zinc/55/14/08/436551408.db2.gz UUOHQBBSRQURHS-CQSZACIVSA-N 1 2 330.388 0.561 20 30 ECEDLO CN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1(C#N)CCC1 ZINC000104319804 436558572 /nfs/dbraw/zinc/55/85/72/436558572.db2.gz QELCQKMEARVABS-CQSZACIVSA-N 1 2 334.420 0.072 20 30 ECEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000058298217 436623461 /nfs/dbraw/zinc/62/34/61/436623461.db2.gz OXGNBYJKJUFIQX-CYBMUJFWSA-N 1 2 346.412 0.874 20 30 ECEDLO Cc1cccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)c1C#N ZINC000262128797 302010891 /nfs/dbraw/zinc/01/08/91/302010891.db2.gz XYXTXRDWOZQZCM-CQSZACIVSA-N 1 2 345.428 0.935 20 30 ECEDLO NC(CN1CCOCC1)=[NH+]OCC(=O)N1CCc2sccc2C1 ZINC000111182083 436631008 /nfs/dbraw/zinc/63/10/08/436631008.db2.gz XLFOETAAXGUVLK-UHFFFAOYSA-N 1 2 338.433 0.254 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2n[nH]c3c2CCCC3)CC1 ZINC000112904440 436634612 /nfs/dbraw/zinc/63/46/12/436634612.db2.gz OEJLTZBHKLOMGQ-UHFFFAOYSA-N 1 2 343.431 0.186 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2n[nH]c3c2CCCC3)CC1 ZINC000112904440 436634613 /nfs/dbraw/zinc/63/46/13/436634613.db2.gz OEJLTZBHKLOMGQ-UHFFFAOYSA-N 1 2 343.431 0.186 20 30 ECEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCO[C@@H](C#N)C1 ZINC000269272996 436652293 /nfs/dbraw/zinc/65/22/93/436652293.db2.gz MJIXKIQCESFJHF-ZDUSSCGKSA-N 1 2 331.376 0.983 20 30 ECEDLO COC(=O)C1(O)CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000271414286 436686811 /nfs/dbraw/zinc/68/68/11/436686811.db2.gz OAHAKMGNPUFZIG-OAHLLOKOSA-N 1 2 343.383 0.663 20 30 ECEDLO Cc1ccc(S(=O)(=O)NCC[NH+]2CCN(CCC#N)CC2)cc1 ZINC000121431540 436714724 /nfs/dbraw/zinc/71/47/24/436714724.db2.gz VVWBDWWNHGRVPQ-UHFFFAOYSA-N 1 2 336.461 0.805 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cc(Cl)cnc2N)CC1 ZINC000269912023 436668642 /nfs/dbraw/zinc/66/86/42/436668642.db2.gz VWROCLWHNHHBIY-UHFFFAOYSA-N 1 2 328.825 0.647 20 30 ECEDLO CN(C)c1nc(N)nc(CO[NH+]=C(N)c2ccc3c(c2)CCO3)n1 ZINC000269840209 436669320 /nfs/dbraw/zinc/66/93/20/436669320.db2.gz BQKCWPRPHNPBIX-UHFFFAOYSA-N 1 2 329.364 0.292 20 30 ECEDLO COc1cccc(C(N)=[NH+]OCC(=O)N2CCC3(CC2)OCCO3)c1 ZINC000270457241 436673386 /nfs/dbraw/zinc/67/33/86/436673386.db2.gz CLESMDHDMBOHKD-UHFFFAOYSA-N 1 2 349.387 0.698 20 30 ECEDLO COC(=O)CC[NH+]1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000067716780 436720139 /nfs/dbraw/zinc/72/01/39/436720139.db2.gz DSBSAKUAMVDZJP-UHFFFAOYSA-N 1 2 337.401 0.428 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000272963682 436731967 /nfs/dbraw/zinc/73/19/67/436731967.db2.gz LYTZXRCCMFWXJU-CYBMUJFWSA-N 1 2 338.433 0.560 20 30 ECEDLO C[C@H](CC#N)NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000123014840 436739586 /nfs/dbraw/zinc/73/95/86/436739586.db2.gz UMZDSNBVCSOCJJ-CQSZACIVSA-N 1 2 343.431 0.791 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCCCc1c[nH]nn1 ZINC000273277412 436743494 /nfs/dbraw/zinc/74/34/94/436743494.db2.gz VZSMMCCQPJSQNA-UHFFFAOYSA-N 1 2 334.424 0.592 20 30 ECEDLO C=CCOc1cccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000273577014 436767955 /nfs/dbraw/zinc/76/79/55/436767955.db2.gz YZZUBROTJKFMQG-UHFFFAOYSA-N 1 2 333.388 0.326 20 30 ECEDLO N#Cc1cccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000069140201 436763327 /nfs/dbraw/zinc/76/33/27/436763327.db2.gz SDGJTLFNHYKZLQ-OAHLLOKOSA-N 1 2 342.399 0.677 20 30 ECEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000245552906 436764284 /nfs/dbraw/zinc/76/42/84/436764284.db2.gz DRWJYSJVDLSZKT-JKSUJKDBSA-N 1 2 349.479 0.279 20 30 ECEDLO CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000245552906 436764286 /nfs/dbraw/zinc/76/42/86/436764286.db2.gz DRWJYSJVDLSZKT-JKSUJKDBSA-N 1 2 349.479 0.279 20 30 ECEDLO C#CC[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C)C1CC1 ZINC000274247715 436810175 /nfs/dbraw/zinc/81/01/75/436810175.db2.gz YYXGTGXEHQAWRZ-UHFFFAOYSA-N 1 2 335.429 0.987 20 30 ECEDLO C#CC[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C)C1CC1 ZINC000274247715 436810176 /nfs/dbraw/zinc/81/01/76/436810176.db2.gz YYXGTGXEHQAWRZ-UHFFFAOYSA-N 1 2 335.429 0.987 20 30 ECEDLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000156187159 436811265 /nfs/dbraw/zinc/81/12/65/436811265.db2.gz QSMFROGGADKUJW-OLZOCXBDSA-N 1 2 342.465 0.341 20 30 ECEDLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000156187159 436811267 /nfs/dbraw/zinc/81/12/67/436811267.db2.gz QSMFROGGADKUJW-OLZOCXBDSA-N 1 2 342.465 0.341 20 30 ECEDLO CNC(=O)[C@H]1CCC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156738050 436820641 /nfs/dbraw/zinc/82/06/41/436820641.db2.gz BQDMVYBTLCAATC-AWEZNQCLSA-N 1 2 335.429 0.790 20 30 ECEDLO CNC(=O)[C@H]1CCC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156738050 436820645 /nfs/dbraw/zinc/82/06/45/436820645.db2.gz BQDMVYBTLCAATC-AWEZNQCLSA-N 1 2 335.429 0.790 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCN(CCC(=O)OC)C[C@H]1C ZINC000245864396 436768775 /nfs/dbraw/zinc/76/87/75/436768775.db2.gz JMVDLZGMBOTTSH-OAHLLOKOSA-N 1 2 325.453 0.980 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCN(CCC(=O)OC)C[C@H]1C ZINC000245864396 436768779 /nfs/dbraw/zinc/76/87/79/436768779.db2.gz JMVDLZGMBOTTSH-OAHLLOKOSA-N 1 2 325.453 0.980 20 30 ECEDLO C[C@H](C(=O)Nc1ccccc1C#N)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000246300274 436777664 /nfs/dbraw/zinc/77/76/64/436777664.db2.gz BTUHNQQEBBBYIX-GDBMZVCRSA-N 1 2 346.431 0.510 20 30 ECEDLO C[C@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)[C@H]1C[N@H+](C)CCO1 ZINC000125869650 436778745 /nfs/dbraw/zinc/77/87/45/436778745.db2.gz RCPZDLGODGFPJH-IINYFYTJSA-N 1 2 327.381 0.695 20 30 ECEDLO C[C@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000125869650 436778748 /nfs/dbraw/zinc/77/87/48/436778748.db2.gz RCPZDLGODGFPJH-IINYFYTJSA-N 1 2 327.381 0.695 20 30 ECEDLO N#Cc1ccc([C@H](O)C[NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 ZINC000127108830 436797881 /nfs/dbraw/zinc/79/78/81/436797881.db2.gz XTVANBCZLYIYSG-MRXNPFEDSA-N 1 2 342.399 0.014 20 30 ECEDLO Cc1nnc([C@@H]2CCCN(C(=O)N[C@@H](C)C[NH+]3CCOCC3)C2)[nH]1 ZINC000330063765 302627304 /nfs/dbraw/zinc/62/73/04/302627304.db2.gz BSGZFIYIJKOJPY-GXTWGEPZSA-N 1 2 336.440 0.927 20 30 ECEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H]2CCN(c3cnn(C)c3)C2=O)n1 ZINC000279658843 436830643 /nfs/dbraw/zinc/83/06/43/436830643.db2.gz CPCDATACLQXDDI-MRXNPFEDSA-N 1 2 326.404 0.877 20 30 ECEDLO C#CCn1ccc(C[N@H+](CC)[C@@H]2CCN(c3cnn(C)c3)C2=O)n1 ZINC000279658843 436830645 /nfs/dbraw/zinc/83/06/45/436830645.db2.gz CPCDATACLQXDDI-MRXNPFEDSA-N 1 2 326.404 0.877 20 30 ECEDLO CCc1ccc(C#CC(=O)NCC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000292901520 436836654 /nfs/dbraw/zinc/83/66/54/436836654.db2.gz WEIOZXFMCMJPMW-UHFFFAOYSA-N 1 2 327.428 0.881 20 30 ECEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000135275129 436912896 /nfs/dbraw/zinc/91/28/96/436912896.db2.gz FLVZCYPEOJLBSU-AWEZNQCLSA-N 1 2 326.400 0.630 20 30 ECEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000135275129 436912903 /nfs/dbraw/zinc/91/29/03/436912903.db2.gz FLVZCYPEOJLBSU-AWEZNQCLSA-N 1 2 326.400 0.630 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000134351901 436895394 /nfs/dbraw/zinc/89/53/94/436895394.db2.gz NAMUKXVABUYWLS-CQSZACIVSA-N 1 2 329.466 0.589 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000134351901 436895397 /nfs/dbraw/zinc/89/53/97/436895397.db2.gz NAMUKXVABUYWLS-CQSZACIVSA-N 1 2 329.466 0.589 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000134343281 436896919 /nfs/dbraw/zinc/89/69/19/436896919.db2.gz DOPFOFCHTCYQBC-GJZGRUSLSA-N 1 2 343.493 0.978 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000134343281 436896923 /nfs/dbraw/zinc/89/69/23/436896923.db2.gz DOPFOFCHTCYQBC-GJZGRUSLSA-N 1 2 343.493 0.978 20 30 ECEDLO N#Cc1cc(N2CC[NH+](CC(=O)NC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000161873277 436898054 /nfs/dbraw/zinc/89/80/54/436898054.db2.gz UHIHDWRAUSTMHD-UHFFFAOYSA-N 1 2 329.360 0.867 20 30 ECEDLO Cn1cc[nH+]c1[C@@H]1CN(S(=O)(=O)CC(C)(C)CC#N)CCN1C ZINC000295127607 436963438 /nfs/dbraw/zinc/96/34/38/436963438.db2.gz KPMPZIPBXFWAHR-ZDUSSCGKSA-N 1 2 339.465 0.978 20 30 ECEDLO CC(C)(CNC(=O)CNC(=O)c1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000171105521 436968694 /nfs/dbraw/zinc/96/86/94/436968694.db2.gz DHRQQUPKKXAONB-UHFFFAOYSA-N 1 2 344.415 0.515 20 30 ECEDLO Cn1ncc2c1C[C@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)CC2 ZINC000281538137 436979448 /nfs/dbraw/zinc/97/94/48/436979448.db2.gz ILTMIHDMQPOPHB-OAHLLOKOSA-N 1 2 345.447 0.599 20 30 ECEDLO COCCN(CCC#N)S(=O)(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000295905748 436980989 /nfs/dbraw/zinc/98/09/89/436980989.db2.gz HEJGNGMRZOTNAP-LBPRGKRZSA-N 1 2 329.426 0.803 20 30 ECEDLO N#CC1(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCC1 ZINC000172523666 437018156 /nfs/dbraw/zinc/01/81/56/437018156.db2.gz ZWIRMBKTNHKEEO-CQSZACIVSA-N 1 2 334.420 0.120 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000282818114 437020326 /nfs/dbraw/zinc/02/03/26/437020326.db2.gz LLRLXXZVZZYODD-CYBMUJFWSA-N 1 2 326.422 0.733 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc[nH]c2C2CC2)CC1 ZINC000284044088 437034059 /nfs/dbraw/zinc/03/40/59/437034059.db2.gz QENKPHIJAONBOB-UHFFFAOYSA-N 1 2 328.416 0.789 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc[nH]c2C2CC2)CC1 ZINC000284044088 437034063 /nfs/dbraw/zinc/03/40/63/437034063.db2.gz QENKPHIJAONBOB-UHFFFAOYSA-N 1 2 328.416 0.789 20 30 ECEDLO N#CCOc1ccc(/C=C/C(=O)NC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000298331061 437035641 /nfs/dbraw/zinc/03/56/41/437035641.db2.gz NBAUUSKNQOBPFY-GIZXNFQBSA-N 1 2 345.399 0.411 20 30 ECEDLO CC(=O)NC[C@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)CCO1 ZINC000172184233 437001840 /nfs/dbraw/zinc/00/18/40/437001840.db2.gz KEIGPUUCYQFRGC-ZDUSSCGKSA-N 1 2 336.417 0.785 20 30 ECEDLO CC(=O)NC[C@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)CCO1 ZINC000172184233 437001842 /nfs/dbraw/zinc/00/18/42/437001842.db2.gz KEIGPUUCYQFRGC-ZDUSSCGKSA-N 1 2 336.417 0.785 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCN(c3ncnc4c3cnn4C)CC2)C1=O ZINC000281998929 437010055 /nfs/dbraw/zinc/01/00/55/437010055.db2.gz NIHXCECLGGVGQD-AWEZNQCLSA-N 1 2 341.419 0.272 20 30 ECEDLO C#CCOc1cccc(NC(=O)C(=O)N(C)CC[NH+]2CCOCC2)c1 ZINC000275769175 437010737 /nfs/dbraw/zinc/01/07/37/437010737.db2.gz HOYSIZODFUUHNM-UHFFFAOYSA-N 1 2 345.399 0.428 20 30 ECEDLO NC(=[NH+]OCC(=O)NCCOc1cccc(F)c1)[C@@H]1CCCO1 ZINC000284522012 437055495 /nfs/dbraw/zinc/05/54/95/437055495.db2.gz UQHJUNAQHKCREO-ZDUSSCGKSA-N 1 2 325.340 0.789 20 30 ECEDLO N#CCOc1ccc(C[NH+]2CCN(CC(=O)NC3CC3)CC2)cc1 ZINC000298398501 437037048 /nfs/dbraw/zinc/03/70/48/437037048.db2.gz JGICLIWCTOSXCJ-UHFFFAOYSA-N 1 2 328.416 0.985 20 30 ECEDLO N#CCOc1ccc(CN2CC[NH+](CC(=O)NC3CC3)CC2)cc1 ZINC000298398501 437037053 /nfs/dbraw/zinc/03/70/53/437037053.db2.gz JGICLIWCTOSXCJ-UHFFFAOYSA-N 1 2 328.416 0.985 20 30 ECEDLO C=CCSCCNC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000284979850 437076451 /nfs/dbraw/zinc/07/64/51/437076451.db2.gz PMRRTKQLEDPLAW-UHFFFAOYSA-N 1 2 345.428 0.919 20 30 ECEDLO N#C[C@H]1COCCN1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000174859051 437090028 /nfs/dbraw/zinc/09/00/28/437090028.db2.gz GXSHFUBHRLHAKF-HNNXBMFYSA-N 1 2 329.404 0.345 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000175226727 437097565 /nfs/dbraw/zinc/09/75/65/437097565.db2.gz IXEDRQNSOBQCCJ-UHFFFAOYSA-N 1 2 329.404 0.657 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000175226727 437097570 /nfs/dbraw/zinc/09/75/70/437097570.db2.gz IXEDRQNSOBQCCJ-UHFFFAOYSA-N 1 2 329.404 0.657 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1nc2c(cc1C#N)CCCC2 ZINC000301884827 437132280 /nfs/dbraw/zinc/13/22/80/437132280.db2.gz LQJOHAZFWCUUHL-MRXNPFEDSA-N 1 2 330.432 0.961 20 30 ECEDLO C#CCOCCNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000302148096 437140673 /nfs/dbraw/zinc/14/06/73/437140673.db2.gz LGVBLCHAVZNLNL-UHFFFAOYSA-N 1 2 338.433 0.079 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH2+][C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000177416151 437184144 /nfs/dbraw/zinc/18/41/44/437184144.db2.gz KEELBCNBZQDJRW-OAHLLOKOSA-N 1 2 338.795 0.642 20 30 ECEDLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000332161810 437207011 /nfs/dbraw/zinc/20/70/11/437207011.db2.gz QSOIPWHUQGQGIB-CYBMUJFWSA-N 1 2 347.400 0.732 20 30 ECEDLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000332161810 437207015 /nfs/dbraw/zinc/20/70/15/437207015.db2.gz QSOIPWHUQGQGIB-CYBMUJFWSA-N 1 2 347.400 0.732 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000332126103 437208799 /nfs/dbraw/zinc/20/87/99/437208799.db2.gz IQMMHEWMXPIOND-DZGCQCFKSA-N 1 2 344.481 0.508 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000332126103 437208804 /nfs/dbraw/zinc/20/88/04/437208804.db2.gz IQMMHEWMXPIOND-DZGCQCFKSA-N 1 2 344.481 0.508 20 30 ECEDLO C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCO[C@H](C#N)C1 ZINC000178651322 437221882 /nfs/dbraw/zinc/22/18/82/437221882.db2.gz VJJUFBKUEFAJTC-LSDHHAIUSA-N 1 2 329.404 0.343 20 30 ECEDLO CO[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)C1(C)C ZINC000332448070 437224793 /nfs/dbraw/zinc/22/47/93/437224793.db2.gz GHTZUSFSIIRZIF-CHWSQXEVSA-N 1 2 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/nfs/dbraw/zinc/65/33/64/437653364.db2.gz YDXVHRYOSXRVAI-MAUKXSAKSA-N 1 2 347.463 0.081 20 30 ECEDLO C[C@@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)[NH+]1CCOCC1 ZINC000354902699 437656264 /nfs/dbraw/zinc/65/62/64/437656264.db2.gz PKNCAEVVIVYYTO-AWEZNQCLSA-N 1 2 329.404 0.323 20 30 ECEDLO CC#CCCNC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000361400177 437663646 /nfs/dbraw/zinc/66/36/46/437663646.db2.gz MJAAFIFIRDULSW-UHFFFAOYSA-N 1 2 343.431 0.996 20 30 ECEDLO COC(=O)c1cn([C@H]2CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)nn1 ZINC000355056439 437665883 /nfs/dbraw/zinc/66/58/83/437665883.db2.gz KKBOJWKYUZOFAP-BLLLJJGKSA-N 1 2 348.407 0.366 20 30 ECEDLO COC(=O)c1cn([C@H]2CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)nn1 ZINC000355056439 437665888 /nfs/dbraw/zinc/66/58/88/437665888.db2.gz KKBOJWKYUZOFAP-BLLLJJGKSA-N 1 2 348.407 0.366 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355098151 437671253 /nfs/dbraw/zinc/67/12/53/437671253.db2.gz FGHMJRSZIMXTMT-ZDUSSCGKSA-N 1 2 342.403 0.476 20 30 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/nfs/dbraw/zinc/73/22/51/437732251.db2.gz IQGLKMMKHNVWMQ-UHFFFAOYSA-N 1 2 345.447 0.670 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnn(C(C)C)c2C)CC1 ZINC000362360492 437732257 /nfs/dbraw/zinc/73/22/57/437732257.db2.gz IQGLKMMKHNVWMQ-UHFFFAOYSA-N 1 2 345.447 0.670 20 30 ECEDLO CCCC[N@H+](CC(=O)NC1(C#N)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000346976116 437823003 /nfs/dbraw/zinc/82/30/03/437823003.db2.gz GTZXZUDCUBEPJZ-ZDUSSCGKSA-N 1 2 327.450 0.838 20 30 ECEDLO CCCC[N@@H+](CC(=O)NC1(C#N)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000346976116 437823008 /nfs/dbraw/zinc/82/30/08/437823008.db2.gz GTZXZUDCUBEPJZ-ZDUSSCGKSA-N 1 2 327.450 0.838 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000345590824 437794341 /nfs/dbraw/zinc/79/43/41/437794341.db2.gz RHYFFGNKAVAQIA-LSDHHAIUSA-N 1 2 336.436 0.353 20 30 ECEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NCCOc2ccc(C#N)cc2)C1 ZINC000341123148 437797313 /nfs/dbraw/zinc/79/73/13/437797313.db2.gz LDTNNBYXEPMKLG-OAHLLOKOSA-N 1 2 331.420 0.482 20 30 ECEDLO 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ZINC000357224638 437936893 /nfs/dbraw/zinc/93/68/93/437936893.db2.gz YVQFWSDHWBEBIG-UHFFFAOYSA-N 1 2 338.452 0.613 20 30 ECEDLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1 ZINC000425197067 438018029 /nfs/dbraw/zinc/01/80/29/438018029.db2.gz BIVVRVOLPFADHC-ZDUSSCGKSA-N 1 2 332.470 0.508 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000348267674 438037396 /nfs/dbraw/zinc/03/73/96/438037396.db2.gz BXQVHVPRKFMPST-UHFFFAOYSA-N 1 2 343.431 0.056 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428770009 438095577 /nfs/dbraw/zinc/09/55/77/438095577.db2.gz ZIOSLVXNOKVOOY-JSGCOSHPSA-N 1 2 330.454 0.007 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428770009 438095583 /nfs/dbraw/zinc/09/55/83/438095583.db2.gz ZIOSLVXNOKVOOY-JSGCOSHPSA-N 1 2 330.454 0.007 20 30 ECEDLO C#CCC(C)(C)C(=O)N1C[C@@H](O)[C@@H]([N@H+](CC)Cc2nnc(C)o2)C1 ZINC000372577602 438100216 /nfs/dbraw/zinc/10/02/16/438100216.db2.gz 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/nfs/dbraw/zinc/14/81/58/438148158.db2.gz QMTNOPLJBDAFLA-AWEZNQCLSA-N 1 2 329.408 0.948 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2cncs2)CC1 ZINC000367018441 438155086 /nfs/dbraw/zinc/15/50/86/438155086.db2.gz YPHNLQYTSZRQPY-SNAWJCMRSA-N 1 2 332.429 0.440 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2cncs2)CC1 ZINC000367018441 438155091 /nfs/dbraw/zinc/15/50/91/438155091.db2.gz YPHNLQYTSZRQPY-SNAWJCMRSA-N 1 2 332.429 0.440 20 30 ECEDLO Cn1cc[nH+]c1CN1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1 ZINC000349625704 438166434 /nfs/dbraw/zinc/16/64/34/438166434.db2.gz HFDMYNNYIWMQKK-UHFFFAOYSA-N 1 2 337.449 0.561 20 30 ECEDLO C=CC[C@H](CO)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000350156585 438198403 /nfs/dbraw/zinc/19/84/03/438198403.db2.gz PIOGICRNQHIGGR-CQSZACIVSA-N 1 2 347.419 0.528 20 30 ECEDLO N#Cc1cc([N+](=O)[O-])cnc1N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000378054402 438343532 /nfs/dbraw/zinc/34/35/32/438343532.db2.gz RNFUDCYSDUDVMD-AWEZNQCLSA-N 1 2 344.375 0.652 20 30 ECEDLO CN(C(=O)C[N@@H+]1CC[C@H]2OCC(=O)N[C@H]2C1)C1(C#N)CCCCC1 ZINC000377392142 438308789 /nfs/dbraw/zinc/30/87/89/438308789.db2.gz OJEZRFHJMQWWCT-UONOGXRCSA-N 1 2 334.420 0.261 20 30 ECEDLO CN(C(=O)C[N@H+]1CC[C@H]2OCC(=O)N[C@H]2C1)C1(C#N)CCCCC1 ZINC000377392142 438308793 /nfs/dbraw/zinc/30/87/93/438308793.db2.gz OJEZRFHJMQWWCT-UONOGXRCSA-N 1 2 334.420 0.261 20 30 ECEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCN2C(=O)N(C)C(=O)[C@H]2C1 ZINC000378063940 438347623 /nfs/dbraw/zinc/34/76/23/438347623.db2.gz YCUXEFFUSCSALH-CYBMUJFWSA-N 1 2 344.371 0.524 20 30 ECEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCN2C(=O)N(C)C(=O)[C@H]2C1 ZINC000378063940 438347628 /nfs/dbraw/zinc/34/76/28/438347628.db2.gz YCUXEFFUSCSALH-CYBMUJFWSA-N 1 2 344.371 0.524 20 30 ECEDLO C=C(C)[C@H]1OCC[C@H]1CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000435585900 438372010 /nfs/dbraw/zinc/37/20/10/438372010.db2.gz WQYVMKAGDONZCX-LSDHHAIUSA-N 1 2 332.466 0.609 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000437993854 438462462 /nfs/dbraw/zinc/46/24/62/438462462.db2.gz FXOAESIUHDHTBM-KGLIPLIRSA-N 1 2 338.452 0.559 20 30 ECEDLO CC[C@H](C(=O)OC)N1CC[NH+](CC(=O)N(CC)C[C@H](C)C#N)CC1 ZINC000352722954 438467223 /nfs/dbraw/zinc/46/72/23/438467223.db2.gz GWCIJBYRFPFYGT-HUUCEWRRSA-N 1 2 338.452 0.564 20 30 ECEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000352784912 438475253 /nfs/dbraw/zinc/47/52/53/438475253.db2.gz SKFHQYCBIIZKOM-CABCVRRESA-N 1 2 345.399 0.391 20 30 ECEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000352784912 438475258 /nfs/dbraw/zinc/47/52/58/438475258.db2.gz SKFHQYCBIIZKOM-CABCVRRESA-N 1 2 345.399 0.391 20 30 ECEDLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CCN2C1=O ZINC000369454173 438476967 /nfs/dbraw/zinc/47/69/67/438476967.db2.gz YKGLPXDADCXAPA-BLLLJJGKSA-N 1 2 335.408 0.009 20 30 ECEDLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CCN2C1=O ZINC000369454173 438476970 /nfs/dbraw/zinc/47/69/70/438476970.db2.gz YKGLPXDADCXAPA-BLLLJJGKSA-N 1 2 335.408 0.009 20 30 ECEDLO Cc1nc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)ccc1C#N ZINC000353191844 438503055 /nfs/dbraw/zinc/50/30/55/438503055.db2.gz LGTZJEDLWQASSN-MRXNPFEDSA-N 1 2 344.415 0.825 20 30 ECEDLO CC#CCC[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439283714 438504745 /nfs/dbraw/zinc/50/47/45/438504745.db2.gz GDSYCJYUIVHNEG-UHFFFAOYSA-N 1 2 327.372 0.851 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@@H](C)OC[C@H]3C)CC2)o1 ZINC000408170106 438527709 /nfs/dbraw/zinc/52/77/09/438527709.db2.gz SCIVMSGKFQCUAR-CHWSQXEVSA-N 1 2 347.419 0.613 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@@H](C)OC[C@H]3C)CC2)o1 ZINC000408170106 438527711 /nfs/dbraw/zinc/52/77/11/438527711.db2.gz SCIVMSGKFQCUAR-CHWSQXEVSA-N 1 2 347.419 0.613 20 30 ECEDLO C#CCNC(=O)C1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000370271137 438566569 /nfs/dbraw/zinc/56/65/69/438566569.db2.gz QAWYYAPZGVRPIQ-QGZVFWFLSA-N 1 2 347.459 0.475 20 30 ECEDLO C#CCNC(=O)C1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000370271137 438566570 /nfs/dbraw/zinc/56/65/70/438566570.db2.gz QAWYYAPZGVRPIQ-QGZVFWFLSA-N 1 2 347.459 0.475 20 30 ECEDLO COC(=O)[C@@H](O)C1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000441230706 438580332 /nfs/dbraw/zinc/58/03/32/438580332.db2.gz LRZRNWBLKBCXGS-ZDUSSCGKSA-N 1 2 337.401 0.804 20 30 ECEDLO COC(=O)[C@H](O)C1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000441264463 438581086 /nfs/dbraw/zinc/58/10/86/438581086.db2.gz KSPRFHVBXVBTAQ-LSDHHAIUSA-N 1 2 331.372 0.331 20 30 ECEDLO Cc1ncc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cc1C#N ZINC000451892244 438613667 /nfs/dbraw/zinc/61/36/67/438613667.db2.gz VNHOJKUYGVISJX-TXEJJXNPSA-N 1 2 338.433 0.337 20 30 ECEDLO Cc1ncc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cc1C#N ZINC000451892244 438613670 /nfs/dbraw/zinc/61/36/70/438613670.db2.gz VNHOJKUYGVISJX-TXEJJXNPSA-N 1 2 338.433 0.337 20 30 ECEDLO N#CCNC(=O)C[N@@H+](CCO)Cc1cc(Br)cs1 ZINC000494248500 438683063 /nfs/dbraw/zinc/68/30/63/438683063.db2.gz RWOYDXROPIYLJC-UHFFFAOYSA-N 1 2 332.223 0.945 20 30 ECEDLO N#CCNC(=O)C[N@H+](CCO)Cc1cc(Br)cs1 ZINC000494248500 438683068 /nfs/dbraw/zinc/68/30/68/438683068.db2.gz RWOYDXROPIYLJC-UHFFFAOYSA-N 1 2 332.223 0.945 20 30 ECEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000494341151 438687567 /nfs/dbraw/zinc/68/75/67/438687567.db2.gz NGMPQKQAWHDOQH-GFCCVEGCSA-N 1 2 339.417 0.254 20 30 ECEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000494341151 438687569 /nfs/dbraw/zinc/68/75/69/438687569.db2.gz NGMPQKQAWHDOQH-GFCCVEGCSA-N 1 2 339.417 0.254 20 30 ECEDLO N#Cc1ncn(CC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)n1 ZINC000494439858 438692958 /nfs/dbraw/zinc/69/29/58/438692958.db2.gz VXAUOXZQYOXNPO-UHFFFAOYSA-N 1 2 325.376 0.851 20 30 ECEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000494735125 438706911 /nfs/dbraw/zinc/70/69/11/438706911.db2.gz JODMPDQEBQTZHV-KGLIPLIRSA-N 1 2 336.417 0.098 20 30 ECEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000494735125 438706913 /nfs/dbraw/zinc/70/69/13/438706913.db2.gz JODMPDQEBQTZHV-KGLIPLIRSA-N 1 2 336.417 0.098 20 30 ECEDLO N#Cc1ncc(NC(=O)NC[C@@H](O)C[NH+]2CCOCC2)cc1Cl ZINC000455782959 438752637 /nfs/dbraw/zinc/75/26/37/438752637.db2.gz KRIBYXJGXYRULI-LLVKDONJSA-N 1 2 339.783 0.421 20 30 ECEDLO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1C#N ZINC000554288868 438762322 /nfs/dbraw/zinc/76/23/22/438762322.db2.gz RPKUZGZKZZURNB-UHFFFAOYSA-N 1 2 344.331 1.299 20 30 ECEDLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(c2ccnc(C#N)c2)CC1 ZINC000588005048 438814151 /nfs/dbraw/zinc/81/41/51/438814151.db2.gz AHAUJAJTZRITTL-AWEZNQCLSA-N 1 2 329.404 0.323 20 30 ECEDLO N#CCCCCCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000588370587 438832234 /nfs/dbraw/zinc/83/22/34/438832234.db2.gz BDSXALHXBBZZOD-OAHLLOKOSA-N 1 2 336.436 0.510 20 30 ECEDLO COCC[NH+]1CCN(S(=O)(=O)c2c(C)cc(F)cc2C#N)CC1 ZINC000601293726 438841528 /nfs/dbraw/zinc/84/15/28/438841528.db2.gz BYURXSAGNREEJA-UHFFFAOYSA-N 1 2 341.408 0.959 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(=O)n(-c2ccccc2)n1 ZINC000562322689 438850719 /nfs/dbraw/zinc/85/07/19/438850719.db2.gz DFAWCWROQNTRDX-QGZVFWFLSA-N 1 2 325.372 0.806 20 30 ECEDLO CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C1 ZINC000563220822 438860972 /nfs/dbraw/zinc/86/09/72/438860972.db2.gz VYEQXLZCSRSUOS-GXTWGEPZSA-N 1 2 330.454 0.008 20 30 ECEDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NCCOc2ccc(C#N)cc2)C1 ZINC000601357480 438861544 /nfs/dbraw/zinc/86/15/44/438861544.db2.gz SMEISNGBHKRTMT-HNNXBMFYSA-N 1 2 339.417 0.187 20 30 ECEDLO C[N@H+]1CCO[C@H](CS(=O)(=O)NCCOc2ccc(C#N)cc2)C1 ZINC000601357480 438861549 /nfs/dbraw/zinc/86/15/49/438861549.db2.gz SMEISNGBHKRTMT-HNNXBMFYSA-N 1 2 339.417 0.187 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2cccc(C#N)n2)CC1 ZINC000589267947 438865555 /nfs/dbraw/zinc/86/55/55/438865555.db2.gz SSHIMXDTKKMWSG-UHFFFAOYSA-N 1 2 348.370 0.592 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000563634369 438866914 /nfs/dbraw/zinc/86/69/14/438866914.db2.gz FKQRLUMUBONKRV-RYUDHWBXSA-N 1 2 343.453 0.548 20 30 ECEDLO C[C@@]1(C#N)CC[N@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000595834745 438868295 /nfs/dbraw/zinc/86/82/95/438868295.db2.gz LONNMPUOXOPHRS-KRWDZBQOSA-N 1 2 330.388 0.800 20 30 ECEDLO C[C@@]1(C#N)CC[N@@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000595834745 438868296 /nfs/dbraw/zinc/86/82/96/438868296.db2.gz LONNMPUOXOPHRS-KRWDZBQOSA-N 1 2 330.388 0.800 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)c2cccc(C#N)n2)C1=O ZINC000589458630 438872170 /nfs/dbraw/zinc/87/21/70/438872170.db2.gz FOTJRTBLVGMLRH-CQSZACIVSA-N 1 2 338.371 0.608 20 30 ECEDLO CCCCNC(=O)C[NH+]1CCN(c2cc(C#N)nc(CC)n2)CC1 ZINC000596059579 438921030 /nfs/dbraw/zinc/92/10/30/438921030.db2.gz REIAWWIBBORYRF-UHFFFAOYSA-N 1 2 330.436 0.949 20 30 ECEDLO CC(C)(C)n1ncc2c1nc(NCCn1cnc(C#N)n1)[nH+]c2N ZINC000596230252 438944358 /nfs/dbraw/zinc/94/43/58/438944358.db2.gz UZFADNJZKCOMEK-UHFFFAOYSA-N 1 2 326.368 0.739 20 30 ECEDLO Cn1cc[nH+]c1CN1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 ZINC000565449673 438952612 /nfs/dbraw/zinc/95/26/12/438952612.db2.gz JWPMYXCRTDDZMN-UHFFFAOYSA-N 1 2 346.416 0.193 20 30 ECEDLO C[C@@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)[C@H]1C[N@H+](C)CCO1 ZINC000590750168 438953298 /nfs/dbraw/zinc/95/32/98/438953298.db2.gz UVEPYPKCCXVMTG-IAQYHMDHSA-N 1 2 341.408 0.836 20 30 ECEDLO C[C@@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)[C@H]1C[N@@H+](C)CCO1 ZINC000590750168 438953301 /nfs/dbraw/zinc/95/33/01/438953301.db2.gz UVEPYPKCCXVMTG-IAQYHMDHSA-N 1 2 341.408 0.836 20 30 ECEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC(C)(C)CC#N)CC1 ZINC000459260550 438954684 /nfs/dbraw/zinc/95/46/84/438954684.db2.gz QQIONXQKZTYZDS-CYBMUJFWSA-N 1 2 335.452 0.921 20 30 ECEDLO C[N@H+](CCC#N)C[C@@H](O)CNCc1ncn(Cc2cccc(F)c2)n1 ZINC000578981569 438969506 /nfs/dbraw/zinc/96/95/06/438969506.db2.gz HNLSTXJQTYUMKG-INIZCTEOSA-N 1 2 346.410 0.761 20 30 ECEDLO C[N@@H+](CCC#N)C[C@@H](O)CNCc1ncn(Cc2cccc(F)c2)n1 ZINC000578981569 438969512 /nfs/dbraw/zinc/96/95/12/438969512.db2.gz HNLSTXJQTYUMKG-INIZCTEOSA-N 1 2 346.410 0.761 20 30 ECEDLO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000578981569 438969518 /nfs/dbraw/zinc/96/95/18/438969518.db2.gz HNLSTXJQTYUMKG-INIZCTEOSA-N 1 2 346.410 0.761 20 30 ECEDLO C=CCc1cc(C[NH+]2CC(n3cc(C(N)=O)nn3)C2)cc(OC)c1O ZINC000459615625 438980765 /nfs/dbraw/zinc/98/07/65/438980765.db2.gz FRJWPHSTQZLWAE-UHFFFAOYSA-N 1 2 343.387 0.877 20 30 ECEDLO C[C@@]1(C#N)CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000596781471 438997542 /nfs/dbraw/zinc/99/75/42/438997542.db2.gz SRTSOVSGCQSONF-INIZCTEOSA-N 1 2 332.408 0.983 20 30 ECEDLO Cn1ccnc1C[NH+]1CCC(C(=O)N2CCN(CCC#N)CC2)CC1 ZINC000602207633 439038436 /nfs/dbraw/zinc/03/84/36/439038436.db2.gz JZSOKEMGSKPUMT-UHFFFAOYSA-N 1 2 344.463 0.690 20 30 ECEDLO C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)C2=O ZINC000566308113 439040010 /nfs/dbraw/zinc/04/00/10/439040010.db2.gz CPBURNNZKRYDAP-OAUYIBNBSA-N 1 2 349.435 0.447 20 30 ECEDLO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[NH+]1CCC(CCC#N)CC1 ZINC000521431371 439117281 /nfs/dbraw/zinc/11/72/81/439117281.db2.gz RTORTWYESTXBJH-TZMCWYRMSA-N 1 2 327.450 0.694 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000602331280 439067599 /nfs/dbraw/zinc/06/75/99/439067599.db2.gz BQQBPFDQZLLXNV-GOSISDBHSA-N 1 2 344.415 0.733 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000602331282 439068062 /nfs/dbraw/zinc/06/80/62/439068062.db2.gz BQQBPFDQZLLXNV-SFHVURJKSA-N 1 2 344.415 0.733 20 30 ECEDLO Cc1nn(C)c(N2CCN(C(=O)NCc3c[nH+]cn3C)CC2)c1C#N ZINC000566652780 439078333 /nfs/dbraw/zinc/07/83/33/439078333.db2.gz ZAXHYEHGOCDVKL-UHFFFAOYSA-N 1 2 342.407 0.366 20 30 ECEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(c2snc(C)c2C#N)CC1 ZINC000566770516 439085987 /nfs/dbraw/zinc/08/59/87/439085987.db2.gz AQCZMZHNNDEMHS-CQSZACIVSA-N 1 2 349.460 0.693 20 30 ECEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(c2snc(C)c2C#N)CC1 ZINC000566770516 439085992 /nfs/dbraw/zinc/08/59/92/439085992.db2.gz AQCZMZHNNDEMHS-CQSZACIVSA-N 1 2 349.460 0.693 20 30 ECEDLO C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149133 439166983 /nfs/dbraw/zinc/16/69/83/439166983.db2.gz JFAMVBDCLTZKAH-SUMWQHHRSA-N 1 2 330.388 0.751 20 30 ECEDLO C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149133 439166986 /nfs/dbraw/zinc/16/69/86/439166986.db2.gz JFAMVBDCLTZKAH-SUMWQHHRSA-N 1 2 330.388 0.751 20 30 ECEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000522551353 439153107 /nfs/dbraw/zinc/15/31/07/439153107.db2.gz BPNVDYHSLSKPOW-PMPSAXMXSA-N 1 2 335.400 0.763 20 30 ECEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000522551353 439153113 /nfs/dbraw/zinc/15/31/13/439153113.db2.gz BPNVDYHSLSKPOW-PMPSAXMXSA-N 1 2 335.400 0.763 20 30 ECEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)NCCCN2CCCCCC2=O)C1 ZINC000592147472 439164809 /nfs/dbraw/zinc/16/48/09/439164809.db2.gz OVRIHXGXZGPDSL-QGZVFWFLSA-N 1 2 336.436 0.246 20 30 ECEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)NCCCN2CCCCCC2=O)C1 ZINC000592147472 439164811 /nfs/dbraw/zinc/16/48/11/439164811.db2.gz OVRIHXGXZGPDSL-QGZVFWFLSA-N 1 2 336.436 0.246 20 30 ECEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000592148790 439166169 /nfs/dbraw/zinc/16/61/69/439166169.db2.gz BVSWDZSTSZAJKN-GOSISDBHSA-N 1 2 342.399 0.868 20 30 ECEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000592148790 439166172 /nfs/dbraw/zinc/16/61/72/439166172.db2.gz BVSWDZSTSZAJKN-GOSISDBHSA-N 1 2 342.399 0.868 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)COc2ccc(C#N)cc2)nn1 ZINC000603256552 439220542 /nfs/dbraw/zinc/22/05/42/439220542.db2.gz HKWRTKDRNTVCRG-INIZCTEOSA-N 1 2 325.372 0.703 20 30 ECEDLO COC1CC[NH+](Cc2cn([C@@H](C)C(=O)N(C)CCC#N)nn2)CC1 ZINC000603187479 439206167 /nfs/dbraw/zinc/20/61/67/439206167.db2.gz BFQLEVYVUOBUBG-ZDUSSCGKSA-N 1 2 334.424 0.822 20 30 ECEDLO C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1[nH+]ccn1C ZINC000598458975 439266345 /nfs/dbraw/zinc/26/63/45/439266345.db2.gz AXFHGPCCGGWEIA-LLVKDONJSA-N 1 2 347.400 0.447 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\c2cccc(O)c2)CC1 ZINC000490936557 439316298 /nfs/dbraw/zinc/31/62/98/439316298.db2.gz QSVQLPUCWRKHOJ-FPLPWBNLSA-N 1 2 341.411 0.689 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\c2cccc(O)c2)CC1 ZINC000490936557 439316304 /nfs/dbraw/zinc/31/63/04/439316304.db2.gz QSVQLPUCWRKHOJ-FPLPWBNLSA-N 1 2 341.411 0.689 20 30 ECEDLO N#Cc1ccncc1N1CC[NH+](C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000582337242 439322082 /nfs/dbraw/zinc/32/20/82/439322082.db2.gz JDVAQYZBKVLNNK-CQSZACIVSA-N 1 2 334.445 0.900 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1 ZINC000491067262 439327590 /nfs/dbraw/zinc/32/75/90/439327590.db2.gz HEDWOVNMMMTSPR-QGZVFWFLSA-N 1 2 332.404 0.126 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCO2)CC1 ZINC000491068825 439327705 /nfs/dbraw/zinc/32/77/05/439327705.db2.gz RRSRPHKVAQAGRU-HOTGVXAUSA-N 1 2 345.447 0.716 20 30 ECEDLO NC(=O)[C@@H]1CCCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528347090 439327974 /nfs/dbraw/zinc/32/79/74/439327974.db2.gz ATDWNCVIGCUNCX-HNNXBMFYSA-N 1 2 325.368 0.626 20 30 ECEDLO NC(=O)[C@@H]1CCCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528347090 439327977 /nfs/dbraw/zinc/32/79/77/439327977.db2.gz ATDWNCVIGCUNCX-HNNXBMFYSA-N 1 2 325.368 0.626 20 30 ECEDLO N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1 ZINC000598944741 439332703 /nfs/dbraw/zinc/33/27/03/439332703.db2.gz UQRLHLUUIVZXON-AWEZNQCLSA-N 1 2 344.396 0.411 20 30 ECEDLO CC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)CCO1 ZINC000528385669 439333678 /nfs/dbraw/zinc/33/36/78/439333678.db2.gz CHBKPTOVZDWISQ-HZPDHXFCSA-N 1 2 333.388 0.135 20 30 ECEDLO CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)CCO1 ZINC000528385669 439333684 /nfs/dbraw/zinc/33/36/84/439333684.db2.gz CHBKPTOVZDWISQ-HZPDHXFCSA-N 1 2 333.388 0.135 20 30 ECEDLO C#CCN(CC#CC)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000490712171 439289017 /nfs/dbraw/zinc/28/90/17/439289017.db2.gz DEHKNVWVGCBAHV-KRWDZBQOSA-N 1 2 335.473 0.862 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COn2nnc3ccc(Cl)cc32)CC1 ZINC000490761820 439296355 /nfs/dbraw/zinc/29/63/55/439296355.db2.gz XAVKXFRSISAVMU-UHFFFAOYSA-N 1 2 333.779 0.291 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCCC[C@H]2c2ccnn2C)CC1 ZINC000490842233 439303553 /nfs/dbraw/zinc/30/35/53/439303553.db2.gz ZZOPVLJZNRPZLQ-KRWDZBQOSA-N 1 2 329.448 0.725 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCCC[C@H]2c2ccnn2C)CC1 ZINC000490842233 439303555 /nfs/dbraw/zinc/30/35/55/439303555.db2.gz ZZOPVLJZNRPZLQ-KRWDZBQOSA-N 1 2 329.448 0.725 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(CCOC)Cc2cncs2)CC1 ZINC000491327118 439366888 /nfs/dbraw/zinc/36/68/88/439366888.db2.gz SYEZZXUQCHHLHD-UHFFFAOYSA-N 1 2 336.461 0.369 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCN([C@@H](C)C(F)(F)F)CC2)CC1 ZINC000491382091 439374305 /nfs/dbraw/zinc/37/43/05/439374305.db2.gz HOFXNBUKDIZRFY-AWEZNQCLSA-N 1 2 346.397 0.332 20 30 ECEDLO C#C[C@H](CC)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000491408871 439379399 /nfs/dbraw/zinc/37/93/99/439379399.db2.gz XHHVHFFCDFOMBA-OAHLLOKOSA-N 1 2 329.400 0.985 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(F)c(F)cc2C(N)=O)CC1 ZINC000491415065 439380260 /nfs/dbraw/zinc/38/02/60/439380260.db2.gz FYLQLBMGPYRBTP-UHFFFAOYSA-N 1 2 336.342 0.253 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cc(S(=O)(=O)NC)cs1 ZINC000491523662 439399897 /nfs/dbraw/zinc/39/98/97/439399897.db2.gz GHLBNVYISPQOKY-NSHDSACASA-N 1 2 342.442 0.911 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cc(S(=O)(=O)NC)cs1 ZINC000491523662 439399902 /nfs/dbraw/zinc/39/99/02/439399902.db2.gz GHLBNVYISPQOKY-NSHDSACASA-N 1 2 342.442 0.911 20 30 ECEDLO C[C@H](O)CNc1cc(N(C)CCCc2[nH]nc(N)c2C#N)nc[nH+]1 ZINC000570180839 439400065 /nfs/dbraw/zinc/40/00/65/439400065.db2.gz YNTBHXFLVLJWNG-JTQLQIEISA-N 1 2 330.396 0.515 20 30 ECEDLO C[C@H](O)CNc1cc(N(C)CCCc2[nH]nc(N)c2C#N)[nH+]cn1 ZINC000570180839 439400071 /nfs/dbraw/zinc/40/00/71/439400071.db2.gz YNTBHXFLVLJWNG-JTQLQIEISA-N 1 2 330.396 0.515 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000491554879 439405801 /nfs/dbraw/zinc/40/58/01/439405801.db2.gz MWDTZTRZLPZVGJ-INIZCTEOSA-N 1 2 348.491 0.391 20 30 ECEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000583024519 439411373 /nfs/dbraw/zinc/41/13/73/439411373.db2.gz APRFTNHQJFYRMY-JTQLQIEISA-N 1 2 331.344 0.794 20 30 ECEDLO COC(=O)[C@@H]1CCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000599284820 439415772 /nfs/dbraw/zinc/41/57/72/439415772.db2.gz DXSDVKRYBRIKTK-HNNXBMFYSA-N 1 2 326.352 0.923 20 30 ECEDLO COC(=O)[C@@H]1CCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000599284820 439415775 /nfs/dbraw/zinc/41/57/75/439415775.db2.gz DXSDVKRYBRIKTK-HNNXBMFYSA-N 1 2 326.352 0.923 20 30 ECEDLO C#CC[N@@H+](C[C@@H](O)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000491661083 439422595 /nfs/dbraw/zinc/42/25/95/439422595.db2.gz ZJOQHDXBHZQKAE-CVEARBPZSA-N 1 2 325.405 0.851 20 30 ECEDLO C#CC[N@H+](C[C@@H](O)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000491661083 439422597 /nfs/dbraw/zinc/42/25/97/439422597.db2.gz ZJOQHDXBHZQKAE-CVEARBPZSA-N 1 2 325.405 0.851 20 30 ECEDLO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1nnc2n1CCC2 ZINC000570508616 439425454 /nfs/dbraw/zinc/42/54/54/439425454.db2.gz CHCHJOYRULDSTL-NSHDSACASA-N 1 2 346.416 0.615 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)CC1 ZINC000491810019 439455779 /nfs/dbraw/zinc/45/57/79/439455779.db2.gz YJKYRHBBUSCHPT-SJLPKXTDSA-N 1 2 335.448 0.034 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)CC1 ZINC000491810019 439455783 /nfs/dbraw/zinc/45/57/83/439455783.db2.gz YJKYRHBBUSCHPT-SJLPKXTDSA-N 1 2 335.448 0.034 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000570686560 439441899 /nfs/dbraw/zinc/44/18/99/439441899.db2.gz FMGISTWLWTWEHH-MAUKXSAKSA-N 1 2 343.431 0.894 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN[C@@H](C)c2noc(COC(C)C)n2)CC1 ZINC000491764875 439444481 /nfs/dbraw/zinc/44/44/81/439444481.db2.gz CCKVOZUIRNHIMR-AWEZNQCLSA-N 1 2 349.435 0.423 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCO[C@@H]2CC)CC1 ZINC000491755099 439444970 /nfs/dbraw/zinc/44/49/70/439444970.db2.gz XVPVMTMCDXRXDR-HZPDHXFCSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCO[C@@H]2CC)CC1 ZINC000491755099 439444974 /nfs/dbraw/zinc/44/49/74/439444974.db2.gz XVPVMTMCDXRXDR-HZPDHXFCSA-N 1 2 335.448 0.475 20 30 ECEDLO COC(=O)c1n[nH]c2c1C[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)CC2 ZINC000599433776 439468124 /nfs/dbraw/zinc/46/81/24/439468124.db2.gz ZLVUDVZZOKRDHV-LBPRGKRZSA-N 1 2 348.403 0.626 20 30 ECEDLO COC(=O)c1n[nH]c2c1C[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)CC2 ZINC000599433776 439468128 /nfs/dbraw/zinc/46/81/28/439468128.db2.gz ZLVUDVZZOKRDHV-LBPRGKRZSA-N 1 2 348.403 0.626 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000492024737 439483854 /nfs/dbraw/zinc/48/38/54/439483854.db2.gz CBJYWTJTCXLNGB-GFCCVEGCSA-N 1 2 340.424 0.987 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000492024737 439483861 /nfs/dbraw/zinc/48/38/61/439483861.db2.gz CBJYWTJTCXLNGB-GFCCVEGCSA-N 1 2 340.424 0.987 20 30 ECEDLO N#CCCn1ccc(NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)n1 ZINC000583723196 439504112 /nfs/dbraw/zinc/50/41/12/439504112.db2.gz GMCNJXOZMXFUTB-UHFFFAOYSA-N 1 2 340.387 1.276 20 30 ECEDLO N#CCC(=O)N1CC[NH+](C[C@H]2CN(c3ccccc3)CCO2)CC1 ZINC000594003443 439506906 /nfs/dbraw/zinc/50/69/06/439506906.db2.gz DEEYWRQDYNDPJN-KRWDZBQOSA-N 1 2 328.416 0.950 20 30 ECEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000491820907 439458725 /nfs/dbraw/zinc/45/87/25/439458725.db2.gz ZAOGDXPTLJTAFN-MRXNPFEDSA-N 1 2 325.412 0.998 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2c(C)nc3sc(C)nn23)CC1 ZINC000535068834 439534632 /nfs/dbraw/zinc/53/46/32/439534632.db2.gz BHQYRWIABCKARP-UHFFFAOYSA-N 1 2 348.476 0.827 20 30 ECEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000594322213 439542316 /nfs/dbraw/zinc/54/23/16/439542316.db2.gz XBRAUCAAQFSJHQ-INIZCTEOSA-N 1 2 345.443 0.890 20 30 ECEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000609029965 439549673 /nfs/dbraw/zinc/54/96/73/439549673.db2.gz WPDWWUYJVJJIBA-UHFFFAOYSA-N 1 2 339.421 0.224 20 30 ECEDLO Cc1noc([C@@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)n1 ZINC000542580133 439558331 /nfs/dbraw/zinc/55/83/31/439558331.db2.gz JTYCOLKCJHOODU-OCCSQVGLSA-N 1 2 334.424 0.721 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471337 439566112 /nfs/dbraw/zinc/56/61/12/439566112.db2.gz CTOQOKQYNMMNSP-RQJABVFESA-N 1 2 332.470 0.552 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471337 439566120 /nfs/dbraw/zinc/56/61/20/439566120.db2.gz CTOQOKQYNMMNSP-RQJABVFESA-N 1 2 332.470 0.552 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471338 439566568 /nfs/dbraw/zinc/56/65/68/439566568.db2.gz CTOQOKQYNMMNSP-SYQHCUMBSA-N 1 2 332.470 0.552 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471338 439566571 /nfs/dbraw/zinc/56/65/71/439566571.db2.gz CTOQOKQYNMMNSP-SYQHCUMBSA-N 1 2 332.470 0.552 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1c[nH+]cn1C ZINC000572386691 439577799 /nfs/dbraw/zinc/57/77/99/439577799.db2.gz RKLDOJGDFPMCGP-LBPRGKRZSA-N 1 2 325.376 0.362 20 30 ECEDLO COC(=O)[C@H]([NH3+])Cc1cn(-c2cc(C(F)(F)F)cnc2C#N)nn1 ZINC000594650958 439586962 /nfs/dbraw/zinc/58/69/62/439586962.db2.gz WQFLNNVFMMBAFR-SECBINFHSA-N 1 2 340.265 0.596 20 30 ECEDLO COCCCS(=O)(=O)NCC[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000610481100 439620047 /nfs/dbraw/zinc/62/00/47/439620047.db2.gz HGIJMCCKIBMWPM-HNNXBMFYSA-N 1 2 346.497 0.108 20 30 ECEDLO N#Cc1ccc(CCNS(=O)(=O)CCC[NH+]2CCOCC2)cc1 ZINC000594794796 439614138 /nfs/dbraw/zinc/61/41/38/439614138.db2.gz FQJZACPRBNDNLV-UHFFFAOYSA-N 1 2 337.445 0.742 20 30 ECEDLO CC[C@@H](CC#N)[NH2+]CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000573134964 439630074 /nfs/dbraw/zinc/63/00/74/439630074.db2.gz YXMMXKDSEKAGRJ-NSHDSACASA-N 1 2 335.408 0.250 20 30 ECEDLO COC(=O)C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000610605409 439631030 /nfs/dbraw/zinc/63/10/30/439631030.db2.gz JPEVMPILDFTZIH-NVXWUHKLSA-N 1 2 348.399 0.756 20 30 ECEDLO COC(=O)C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000610605409 439631033 /nfs/dbraw/zinc/63/10/33/439631033.db2.gz JPEVMPILDFTZIH-NVXWUHKLSA-N 1 2 348.399 0.756 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCN1CCCS1(=O)=O ZINC000610615283 439631374 /nfs/dbraw/zinc/63/13/74/439631374.db2.gz ZELYYQHAQXWITQ-UKRRQHHQSA-N 1 2 344.481 0.397 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CCN1CCCS1(=O)=O ZINC000610615283 439631377 /nfs/dbraw/zinc/63/13/77/439631377.db2.gz ZELYYQHAQXWITQ-UKRRQHHQSA-N 1 2 344.481 0.397 20 30 ECEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000600419182 439653760 /nfs/dbraw/zinc/65/37/60/439653760.db2.gz FLXFGJIISJOLGC-CABCVRRESA-N 1 2 346.406 0.970 20 30 ECEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000600419182 439653762 /nfs/dbraw/zinc/65/37/62/439653762.db2.gz FLXFGJIISJOLGC-CABCVRRESA-N 1 2 346.406 0.970 20 30 ECEDLO C[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cn2)[C@@H](C)CO1 ZINC000595124855 439657067 /nfs/dbraw/zinc/65/70/67/439657067.db2.gz GALZVHSEDUVMNR-RYUDHWBXSA-N 1 2 331.376 0.117 20 30 ECEDLO C[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cn2)[C@@H](C)CO1 ZINC000595124855 439657069 /nfs/dbraw/zinc/65/70/69/439657069.db2.gz GALZVHSEDUVMNR-RYUDHWBXSA-N 1 2 331.376 0.117 20 30 ECEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000595126884 439658530 /nfs/dbraw/zinc/65/85/30/439658530.db2.gz XAVSLOMKUCOGSE-NEPJUHHUSA-N 1 2 348.378 0.861 20 30 ECEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000595126884 439658531 /nfs/dbraw/zinc/65/85/31/439658531.db2.gz XAVSLOMKUCOGSE-NEPJUHHUSA-N 1 2 348.378 0.861 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)s1 ZINC000610522138 439623272 /nfs/dbraw/zinc/62/32/72/439623272.db2.gz PYQGVNQNYLCYQZ-LBPRGKRZSA-N 1 2 348.428 0.283 20 30 ECEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](CC(=O)N2CCNC2=O)CC1 ZINC000611550886 439705428 /nfs/dbraw/zinc/70/54/28/439705428.db2.gz KZTUKIGVXLBKEN-OAHLLOKOSA-N 1 2 345.378 0.560 20 30 ECEDLO COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000613309182 439754704 /nfs/dbraw/zinc/75/47/04/439754704.db2.gz AGIMTOQHESPIHL-GFCCVEGCSA-N 1 2 346.387 0.030 20 30 ECEDLO C=CCN(C(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C)C1CC1 ZINC000637079932 440155506 /nfs/dbraw/zinc/15/55/06/440155506.db2.gz PWPGRWOUYNRLLT-GJZGRUSLSA-N 1 2 332.404 0.886 20 30 ECEDLO C=CCn1cc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)nn1 ZINC000648237067 440264721 /nfs/dbraw/zinc/26/47/21/440264721.db2.gz ITDFUSCWVMOMBL-UHFFFAOYSA-N 1 2 328.376 0.626 20 30 ECEDLO CC#CC[C@H](CO)NC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000637413104 440264886 /nfs/dbraw/zinc/26/48/86/440264886.db2.gz NNQJVWUENVUFTE-CQSZACIVSA-N 1 2 333.436 1.394 20 30 ECEDLO C=CCNC(=O)CNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000633152704 440462053 /nfs/dbraw/zinc/46/20/53/440462053.db2.gz LKWUUBZMMVSOPR-UHFFFAOYSA-N 1 2 349.460 0.736 20 30 ECEDLO C=CCOCCCNC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633353837 440488439 /nfs/dbraw/zinc/48/84/39/440488439.db2.gz KUAZUXXRACZUDV-UHFFFAOYSA-N 1 2 333.436 0.939 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)n1cc(CC[NH+]2CCOCC2)nn1 ZINC000640919357 441024085 /nfs/dbraw/zinc/02/40/85/441024085.db2.gz IKCRZEAEPCTPCH-OAHLLOKOSA-N 1 2 333.436 0.914 20 30 ECEDLO N#Cc1ccc(OCCN2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)cc1 ZINC000348568473 321280883 /nfs/dbraw/zinc/28/08/83/321280883.db2.gz GCMOQCWCWJXEMX-AWEZNQCLSA-N 1 2 325.328 0.823 20 30 ECEDLO N#Cc1ccc(OCCN2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)cc1 ZINC000348568473 321280885 /nfs/dbraw/zinc/28/08/85/321280885.db2.gz GCMOQCWCWJXEMX-AWEZNQCLSA-N 1 2 325.328 0.823 20 30 ECEDLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(c2ccncc2C#N)CC1 ZINC000548163407 322150408 /nfs/dbraw/zinc/15/04/08/322150408.db2.gz KRZSHYRCBYMGSU-CQSZACIVSA-N 1 2 329.404 0.323 20 30 ECEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)NC(=O)NC3CC3)C2)nc1 ZINC000555653208 322186436 /nfs/dbraw/zinc/18/64/36/322186436.db2.gz XZUFWRKNEQGOGH-ZDUSSCGKSA-N 1 2 329.360 0.395 20 30 ECEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)NC(=O)NC3CC3)C2)nc1 ZINC000555653208 322186439 /nfs/dbraw/zinc/18/64/39/322186439.db2.gz XZUFWRKNEQGOGH-ZDUSSCGKSA-N 1 2 329.360 0.395 20 30 ECEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000557747226 322210043 /nfs/dbraw/zinc/21/00/43/322210043.db2.gz MJLRCKUNMPPEIB-MRXNPFEDSA-N 1 2 329.404 0.323 20 30 ECEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000557747226 322210047 /nfs/dbraw/zinc/21/00/47/322210047.db2.gz MJLRCKUNMPPEIB-MRXNPFEDSA-N 1 2 329.404 0.323 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[NH2+]Cc2nnc3n2CCC3)c1 ZINC000564202743 322365338 /nfs/dbraw/zinc/36/53/38/322365338.db2.gz YYOOXWPPECEROJ-UHFFFAOYSA-N 1 2 331.401 0.659 20 30 ECEDLO CCC(CC)(NC(=O)C1C[NH+](Cc2ccc(C#N)cn2)C1)C(N)=O ZINC000575932195 322798610 /nfs/dbraw/zinc/79/86/10/322798610.db2.gz DTULQORNHSSXOW-UHFFFAOYSA-N 1 2 329.404 0.545 20 30 ECEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)CN1CCS(=O)(=O)CC1)CCC2 ZINC000328642677 546002377 /nfs/dbraw/zinc/00/23/77/546002377.db2.gz AATWYYCSLYEMRC-ZDUSSCGKSA-N 1 2 340.449 0.756 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC(c2nncn2C)CC1 ZINC000328656952 546003375 /nfs/dbraw/zinc/00/33/75/546003375.db2.gz OHBWNLKHRBXYJA-ZDUSSCGKSA-N 1 2 336.440 0.629 20 30 ECEDLO O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)N1CCn2cc[nH+]c2C1 ZINC000329462759 546024671 /nfs/dbraw/zinc/02/46/71/546024671.db2.gz TVKAXKBCJHSUPZ-SECBINFHSA-N 1 2 331.298 0.776 20 30 ECEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000330037619 546036827 /nfs/dbraw/zinc/03/68/27/546036827.db2.gz ZHKSRJIAYYKQJI-GASCZTMLSA-N 1 2 335.408 0.624 20 30 ECEDLO N#CC1(CS(=O)(=O)NC[C@H](O)C[NH+]2CCOCC2)CCCCC1 ZINC000330018709 546036949 /nfs/dbraw/zinc/03/69/49/546036949.db2.gz TZLZITDGFHIUIM-AWEZNQCLSA-N 1 2 345.465 0.073 20 30 ECEDLO C[C@@H](C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)n1cnc(C#N)n1 ZINC000619593640 546344952 /nfs/dbraw/zinc/34/49/52/546344952.db2.gz RBBPCIITZXLPEF-UONOGXRCSA-N 1 2 332.408 0.424 20 30 ECEDLO C=C[C@H](C(=O)OC)N1CC[NH+](CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000619716496 546363527 /nfs/dbraw/zinc/36/35/27/546363527.db2.gz MJJAQFAHNRDCGX-HRCADAONSA-N 1 2 337.464 0.836 20 30 ECEDLO C=C[C@](C)(O)C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000668708748 547732298 /nfs/dbraw/zinc/73/22/98/547732298.db2.gz FXWVCCGVZCEEFE-SFHVURJKSA-N 1 2 337.464 0.764 20 30 ECEDLO C=CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000669804683 547936746 /nfs/dbraw/zinc/93/67/46/547936746.db2.gz MXLXSOVWVFDHEC-UHFFFAOYSA-N 1 2 343.435 0.669 20 30 ECEDLO C=CCn1c(-c2ccoc2)nnc1N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000669815924 547937075 /nfs/dbraw/zinc/93/70/75/547937075.db2.gz SWPRQLBLFHSZNZ-UHFFFAOYSA-N 1 2 344.419 0.934 20 30 ECEDLO CN(CC#CC[N@H+](C)CC(=O)N1CCCC1)CC(=O)N1CCCC1 ZINC000671239812 548112365 /nfs/dbraw/zinc/11/23/65/548112365.db2.gz ZUYJVTIRUIBPOY-UHFFFAOYSA-N 1 2 334.464 0.098 20 30 ECEDLO CN(CC#CC[N@@H+](C)CC(=O)N1CCCC1)CC(=O)N1CCCC1 ZINC000671239812 548112368 /nfs/dbraw/zinc/11/23/68/548112368.db2.gz ZUYJVTIRUIBPOY-UHFFFAOYSA-N 1 2 334.464 0.098 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)CC(=O)Nc1ccc(O)cc1 ZINC000749115100 579333773 /nfs/dbraw/zinc/33/37/73/579333773.db2.gz GTPDZWVNALUBMF-UHFFFAOYSA-N 1 2 332.404 0.879 20 30 ECEDLO C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C)[nH+]c2N(C)C)C1=O ZINC000749984120 579345624 /nfs/dbraw/zinc/34/56/24/579345624.db2.gz WVMLRNAIROWNDC-UHFFFAOYSA-N 1 2 345.359 0.371 20 30 ECEDLO N#Cc1ccc([C@H](O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000752930478 579392524 /nfs/dbraw/zinc/39/25/24/579392524.db2.gz FNLMDNRPQNOSHW-IRXDYDNUSA-N 1 2 329.400 0.915 20 30 ECEDLO C#CCNC(=S)N1CC[NH+](CC(=O)N(C)C2CCCCC2)CC1 ZINC000758212401 579468871 /nfs/dbraw/zinc/46/88/71/579468871.db2.gz CTLLNVYPPQQHTR-UHFFFAOYSA-N 1 2 336.505 0.903 20 30 ECEDLO Cc1ccn(CN2CC[NH+](Cc3cnn(C)c3)CC2)c(=O)c1C#N ZINC000758221131 579468996 /nfs/dbraw/zinc/46/89/96/579468996.db2.gz VJISJFSHQYRGBC-UHFFFAOYSA-N 1 2 326.404 0.537 20 30 ECEDLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000758452793 579473294 /nfs/dbraw/zinc/47/32/94/579473294.db2.gz CPRCCSYMYMYODG-NWDGAFQWSA-N 1 2 348.407 0.978 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000728567172 578289751 /nfs/dbraw/zinc/28/97/51/578289751.db2.gz LYQDIEUCVZJUTA-UHFFFAOYSA-N 1 2 342.359 0.114 20 30 ECEDLO C[C@@H](NC(=O)NCCNc1ncccc1C#N)[C@@H](C)[NH+]1CCOCC1 ZINC000729603386 578297295 /nfs/dbraw/zinc/29/72/95/578297295.db2.gz GRRJPAUKKUKKCV-ZIAGYGMSSA-N 1 2 346.435 0.774 20 30 ECEDLO Cc1cc(=O)nc(NN=C2CCN(CC[NH+]3CCOCC3)CC2)[nH]1 ZINC000731559825 578312972 /nfs/dbraw/zinc/31/29/72/578312972.db2.gz LVGVBIVFTBZDQO-UHFFFAOYSA-N 1 2 334.424 0.687 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cn1 ZINC000731650725 578313648 /nfs/dbraw/zinc/31/36/48/578313648.db2.gz XMEHNPAUTBJPSR-UHFFFAOYSA-N 1 2 335.429 0.302 20 30 ECEDLO CNC(=O)CNC(=S)N[NH+]=C(C)c1ccc(N2CCOCC2)cc1 ZINC000731928831 578317718 /nfs/dbraw/zinc/31/77/18/578317718.db2.gz JEGFTALCAVEFIJ-UHFFFAOYSA-N 1 2 349.460 0.457 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000733161746 578333100 /nfs/dbraw/zinc/33/31/00/578333100.db2.gz YJLKBKKBKDKHCE-KFWWJZLASA-N 1 2 331.416 0.328 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2cnn3c2[nH]c(=O)c2ccccc23)CC1 ZINC000733162523 578333184 /nfs/dbraw/zinc/33/31/84/578333184.db2.gz QFNLTTAXTVDKEY-UHFFFAOYSA-N 1 2 335.367 0.567 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000733161754 578333193 /nfs/dbraw/zinc/33/31/93/578333193.db2.gz YJLKBKKBKDKHCE-SOUVJXGZSA-N 1 2 331.416 0.328 20 30 ECEDLO COCC(=NNC(=S)NCC[NH+]1CCOCC1)C1CCCC1 ZINC000780194050 578689713 /nfs/dbraw/zinc/68/97/13/578689713.db2.gz DZXAEKAOTGFKSZ-UHFFFAOYSA-N 1 2 328.482 0.975 20 30 ECEDLO Oc1ccc2c(c1)CCC2=NNC(=S)NCC[NH+]1CCOCC1 ZINC000780195195 578689837 /nfs/dbraw/zinc/68/98/37/578689837.db2.gz SCVUTMJPPNPERZ-UHFFFAOYSA-N 1 2 334.445 0.839 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCc2ccc(C#N)cn2)CC1 ZINC000780643180 578698299 /nfs/dbraw/zinc/69/82/99/578698299.db2.gz NFIRDSYUXZTYNG-UHFFFAOYSA-N 1 2 330.392 0.044 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000783001016 578737162 /nfs/dbraw/zinc/73/71/62/578737162.db2.gz YSVXBIBZQMLVQY-KBPBESRZSA-N 1 2 347.481 0.386 20 30 ECEDLO C#CCOCCNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000784203296 578749656 /nfs/dbraw/zinc/74/96/56/578749656.db2.gz CBBJCNUQECUFCM-CQSZACIVSA-N 1 2 332.404 0.756 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cccc(F)c2C#N)[C@@H](C)C1 ZINC000784708444 578755664 /nfs/dbraw/zinc/75/56/64/578755664.db2.gz FESJABYQGHTDIB-NWDGAFQWSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2cccc(F)c2C#N)[C@@H](C)C1 ZINC000784708444 578755665 /nfs/dbraw/zinc/75/56/65/578755665.db2.gz FESJABYQGHTDIB-NWDGAFQWSA-N 1 2 341.408 0.773 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)NCCCNc1cccc[nH+]1)[C@@H]1CCCO1 ZINC000788638941 578841443 /nfs/dbraw/zinc/84/14/43/578841443.db2.gz KIVLQUYHIFIKKJ-KGLIPLIRSA-N 1 2 330.388 0.297 20 30 ECEDLO COc1ccc(CNC(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1C#N ZINC000789755377 578859131 /nfs/dbraw/zinc/85/91/31/578859131.db2.gz YCYNXPLJVLBLPH-LBPRGKRZSA-N 1 2 341.371 0.584 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)CC1 ZINC000793493078 578929554 /nfs/dbraw/zinc/92/95/54/578929554.db2.gz JNCDRVPJSGLKPH-UHFFFAOYSA-N 1 2 341.415 0.849 20 30 ECEDLO CCCCCCN(CC[NH+]1CCOCC1)C(=O)Cn1cnc(C#N)n1 ZINC000769145754 579139960 /nfs/dbraw/zinc/13/99/60/579139960.db2.gz GKFGTKRYECEOEX-UHFFFAOYSA-N 1 2 348.451 0.891 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000772060970 579199815 /nfs/dbraw/zinc/19/98/15/579199815.db2.gz LENDKELJKVWXAX-GHMZBOCLSA-N 1 2 329.422 0.367 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000772060970 579199817 /nfs/dbraw/zinc/19/98/17/579199817.db2.gz LENDKELJKVWXAX-GHMZBOCLSA-N 1 2 329.422 0.367 20 30 ECEDLO C#CCOc1ccccc1NC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000773290464 579224055 /nfs/dbraw/zinc/22/40/55/579224055.db2.gz MQMLKOSMJYUWGL-CQSZACIVSA-N 1 2 345.399 0.474 20 30 ECEDLO C#CCOc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000773290464 579224056 /nfs/dbraw/zinc/22/40/56/579224056.db2.gz MQMLKOSMJYUWGL-CQSZACIVSA-N 1 2 345.399 0.474 20 30 ECEDLO CC(C)[C@H]1CC(=NNC(=S)NCC[NH+]2CCOCC2)CCO1 ZINC000776759577 579288856 /nfs/dbraw/zinc/28/88/56/579288856.db2.gz SNVQHVAALGMITQ-CQSZACIVSA-N 1 2 328.482 0.974 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Cc1ccccc1CC#N ZINC000777408872 579297793 /nfs/dbraw/zinc/29/77/93/579297793.db2.gz MHQYLFHCQJAPJY-KRWDZBQOSA-N 1 2 331.416 0.447 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC000777712954 579301686 /nfs/dbraw/zinc/30/16/86/579301686.db2.gz FVOGJEGFRXMQJK-UHFFFAOYSA-N 1 2 325.409 0.741 20 30 ECEDLO C[C@H](C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)S(C)(=O)=O ZINC000779417192 579315754 /nfs/dbraw/zinc/31/57/54/579315754.db2.gz PQQQCPQYSOOPNM-UTUOFQBUSA-N 1 2 331.438 0.768 20 30 ECEDLO N#Cc1ccc2[nH+]cc(CNc3cnn(CC(=O)NCCO)c3)n2c1 ZINC000779598724 579318540 /nfs/dbraw/zinc/31/85/40/579318540.db2.gz MLLXUCKLCIEFTG-UHFFFAOYSA-N 1 2 339.359 0.123 20 30 ECEDLO C[S@](=O)CC[NH+]1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000762224124 579538818 /nfs/dbraw/zinc/53/88/18/579538818.db2.gz WMXUMTABFHQPOS-DEOSSOPVSA-N 1 2 348.424 0.290 20 30 ECEDLO COc1ccc(C=NNC(=S)NCC[NH+]2CCOCC2)s1 ZINC000763124732 579555813 /nfs/dbraw/zinc/55/58/13/579555813.db2.gz HVZLTZSAWMRWSQ-UHFFFAOYSA-N 1 2 328.463 0.887 20 30 ECEDLO C[S@](=O)CC[NH+]1CCN(C(=O)COc2ccc(C#N)cc2)CC1 ZINC000741290714 579771028 /nfs/dbraw/zinc/77/10/28/579771028.db2.gz ZAFRIVHIMHNWIQ-QHCPKHFHSA-N 1 2 335.429 0.460 20 30 ECEDLO C[S@@](=O)CC[NH+]1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000741292569 579771200 /nfs/dbraw/zinc/77/12/00/579771200.db2.gz LHKHSTPQAAEPHL-XMMPIXPASA-N 1 2 349.456 0.654 20 30 ECEDLO C#CCNC(=O)[C@H](C)OC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000741335376 579772279 /nfs/dbraw/zinc/77/22/79/579772279.db2.gz FUHPANFTMPCUEL-AWEZNQCLSA-N 1 2 330.384 0.814 20 30 ECEDLO C=CCn1nnn(C[N@@H+](CCC(=O)OC)C2CCOCC2)c1=S ZINC000743405836 579797688 /nfs/dbraw/zinc/79/76/88/579797688.db2.gz OOSFOEPYYOCEAD-UHFFFAOYSA-N 1 2 341.437 0.997 20 30 ECEDLO C=CCn1nnn(C[N@H+](CCC(=O)OC)C2CCOCC2)c1=S ZINC000743405836 579797689 /nfs/dbraw/zinc/79/76/89/579797689.db2.gz OOSFOEPYYOCEAD-UHFFFAOYSA-N 1 2 341.437 0.997 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)CC1 ZINC000744425592 579809298 /nfs/dbraw/zinc/80/92/98/579809298.db2.gz SVWDFSSEGVGUGQ-AWEZNQCLSA-N 1 2 329.375 0.956 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2cccc(CN3C(=O)CNC3=O)c2)CC1 ZINC000744422471 579809392 /nfs/dbraw/zinc/80/93/92/579809392.db2.gz WHDDDRKHVOBUCC-UHFFFAOYSA-N 1 2 340.383 0.129 20 30 ECEDLO C#Cc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000746790184 579844343 /nfs/dbraw/zinc/84/43/43/579844343.db2.gz SDRFYXRQSOLAEP-QGZVFWFLSA-N 1 2 341.411 0.930 20 30 ECEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000747113094 579849498 /nfs/dbraw/zinc/84/94/98/579849498.db2.gz VFQLTXNKZBQRHK-CQSZACIVSA-N 1 2 339.399 0.980 20 30 ECEDLO N#CC1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000747562046 579853155 /nfs/dbraw/zinc/85/31/55/579853155.db2.gz KOJISQPFTZXOQB-UHFFFAOYSA-N 1 2 332.408 0.983 20 30 ECEDLO Cn1c(C#N)ccc1C(=O)OCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000835186335 588906098 /nfs/dbraw/zinc/90/60/98/588906098.db2.gz MFIAZTLBZOEGQS-UHFFFAOYSA-N 1 2 344.415 0.998 20 30 ECEDLO C#CC[C@H](Cc1ccccc1)NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000867262053 588988297 /nfs/dbraw/zinc/98/82/97/588988297.db2.gz WCYIOQCXSNGXAN-IAGOWNOFSA-N 1 2 336.457 0.871 20 30 ECEDLO C#CC[C@H](Cc1ccccc1)NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000867262053 588988299 /nfs/dbraw/zinc/98/82/99/588988299.db2.gz WCYIOQCXSNGXAN-IAGOWNOFSA-N 1 2 336.457 0.871 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000841479741 588989479 /nfs/dbraw/zinc/98/94/79/588989479.db2.gz XYNULHBTOMEAQY-UHFFFAOYSA-N 1 2 335.385 0.863 20 30 ECEDLO C#CC[C@H]1NC(=O)N(C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1=O ZINC000842236635 589023845 /nfs/dbraw/zinc/02/38/45/589023845.db2.gz UNTMOUJHLUOXGK-JKSUJKDBSA-N 1 2 327.384 0.831 20 30 ECEDLO C#CC[C@H]1NC(=O)N(C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1=O ZINC000842236635 589023847 /nfs/dbraw/zinc/02/38/47/589023847.db2.gz UNTMOUJHLUOXGK-JKSUJKDBSA-N 1 2 327.384 0.831 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000891608467 586181909 /nfs/dbraw/zinc/18/19/09/586181909.db2.gz ZJMAPAYWZXUPJP-CQSZACIVSA-N 1 2 328.347 0.850 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000891608467 586181911 /nfs/dbraw/zinc/18/19/11/586181911.db2.gz ZJMAPAYWZXUPJP-CQSZACIVSA-N 1 2 328.347 0.850 20 30 ECEDLO C#CC1(O)CN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)C1 ZINC000891831057 586199697 /nfs/dbraw/zinc/19/96/97/586199697.db2.gz MTKKMJRLPABTMA-OKILXGFUSA-N 1 2 344.415 0.585 20 30 ECEDLO C[C@@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896540950 586251033 /nfs/dbraw/zinc/25/10/33/586251033.db2.gz ZDPCOEFBLGBGDL-CXAGYDPISA-N 1 2 329.448 0.988 20 30 ECEDLO C[C@@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)[C@H]1CN(C)CC[N@H+]1C ZINC000896540950 586251034 /nfs/dbraw/zinc/25/10/34/586251034.db2.gz ZDPCOEFBLGBGDL-CXAGYDPISA-N 1 2 329.448 0.988 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1[nH]c2ccccc2c1C#N ZINC000897233916 586289820 /nfs/dbraw/zinc/28/98/20/586289820.db2.gz AWURFKQATRNCTK-CYBMUJFWSA-N 1 2 342.399 0.805 20 30 ECEDLO C#CC[NH+](CC#C)Cc1cn(CC(=O)OCC)nc1-c1cnn(C)c1 ZINC000894032720 586371376 /nfs/dbraw/zinc/37/13/76/586371376.db2.gz SMKXFCAYSPFJGQ-UHFFFAOYSA-N 1 2 339.399 0.915 20 30 ECEDLO Cc1nn(C)c(N2CCN(C(=O)NCc3cn(C)c[nH+]3)CC2)c1C#N ZINC000898619940 586438174 /nfs/dbraw/zinc/43/81/74/586438174.db2.gz CLCRJOREUDTXJU-UHFFFAOYSA-N 1 2 342.407 0.366 20 30 ECEDLO Cc1ccc(C(=O)/C=C/C(=O)NC2CC[NH+](CC(N)=O)CC2)cc1 ZINC000900061136 586521939 /nfs/dbraw/zinc/52/19/39/586521939.db2.gz PRAJPWHPPLZSBN-VOTSOKGWSA-N 1 2 329.400 0.800 20 30 ECEDLO COc1nccc(C=NNC(=S)NCC[NH+]2CCOCC2)c1F ZINC000901130231 586694037 /nfs/dbraw/zinc/69/40/37/586694037.db2.gz OZJXQXDLKGJQQK-UHFFFAOYSA-N 1 2 341.412 0.360 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc3[nH]ccc3n2)CC1 ZINC000906579713 586956663 /nfs/dbraw/zinc/95/66/63/586956663.db2.gz GHYQNEFLXHWVRG-UHFFFAOYSA-N 1 2 339.399 0.460 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc3[nH]ccc3n2)CC1 ZINC000906579713 586956664 /nfs/dbraw/zinc/95/66/64/586956664.db2.gz GHYQNEFLXHWVRG-UHFFFAOYSA-N 1 2 339.399 0.460 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000906996085 587004270 /nfs/dbraw/zinc/00/42/70/587004270.db2.gz CCGNKXBLSROADU-IKGGRYGDSA-N 1 2 338.448 0.917 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)NCc1[nH+]cc(C)c(OC)c1C)[C@H]1CCCO1 ZINC000803670006 587066127 /nfs/dbraw/zinc/06/61/27/587066127.db2.gz IMCUBUCDWCYGCD-DZGCQCFKSA-N 1 2 345.399 0.620 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(O)c(S(=O)(=O)NC)c1 ZINC000807386347 587126137 /nfs/dbraw/zinc/12/61/37/587126137.db2.gz SNAHEYSOESCKSV-LBPRGKRZSA-N 1 2 337.401 0.336 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(O)c(S(=O)(=O)NC)c1 ZINC000807386347 587126138 /nfs/dbraw/zinc/12/61/38/587126138.db2.gz SNAHEYSOESCKSV-LBPRGKRZSA-N 1 2 337.401 0.336 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)[C@H]1CCCO1 ZINC000809312274 587174980 /nfs/dbraw/zinc/17/49/80/587174980.db2.gz LZGODDWCLBBBMP-YHUYYLMFSA-N 1 2 344.415 0.590 20 30 ECEDLO N#CC[C@@H](O)C[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000809575507 587180583 /nfs/dbraw/zinc/18/05/83/587180583.db2.gz GIHOEWQIUDTDLK-ZIAGYGMSSA-N 1 2 341.408 0.843 20 30 ECEDLO N#CC[C@@H](O)C[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000809575507 587180584 /nfs/dbraw/zinc/18/05/84/587180584.db2.gz GIHOEWQIUDTDLK-ZIAGYGMSSA-N 1 2 341.408 0.843 20 30 ECEDLO COCCOC[C@H](O)C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000819230586 587473171 /nfs/dbraw/zinc/47/31/71/587473171.db2.gz XAXHMRKACIOUIU-MJBXVCDLSA-N 1 2 343.424 0.359 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[NH+]2CCC([C@H](C)NC(=O)[O-])CC2)CC1 ZINC000823455551 587721567 /nfs/dbraw/zinc/72/15/67/587721567.db2.gz DUGRTCQMGLGKHR-AWEZNQCLSA-N 1 2 336.436 0.132 20 30 ECEDLO C=CC[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCN(C(=O)[O-])CC2)CC1 ZINC000823506804 587725484 /nfs/dbraw/zinc/72/54/84/587725484.db2.gz NFUZOUXWYBZEIM-UHFFFAOYSA-N 1 2 338.452 0.827 20 30 ECEDLO CC#CCNC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823937094 587845145 /nfs/dbraw/zinc/84/51/45/587845145.db2.gz HWKCILXOEZPYCH-UHFFFAOYSA-N 1 2 339.403 0.717 20 30 ECEDLO COCC#CC[NH+]1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000826147013 587998536 /nfs/dbraw/zinc/99/85/36/587998536.db2.gz LCJYZKLQTCYOKW-UHFFFAOYSA-N 1 2 330.367 0.778 20 30 ECEDLO Cc1cc[nH+]c(N(C)CCCc2[nH]nc(N)c2C#N)c1-c1nn[nH]n1 ZINC000826309039 588022915 /nfs/dbraw/zinc/02/29/15/588022915.db2.gz AWMDVSJMFKNQQD-UHFFFAOYSA-N 1 2 338.379 0.816 20 30 ECEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000826387207 588037457 /nfs/dbraw/zinc/03/74/57/588037457.db2.gz KOGFAENENPWJAV-UHFFFAOYSA-N 1 2 347.386 0.851 20 30 ECEDLO C#CC[C@@H]1CCC[N@@H+](CC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000829769651 588340848 /nfs/dbraw/zinc/34/08/48/588340848.db2.gz YOPPCSNQDBVZPA-HUUCEWRRSA-N 1 2 326.462 0.757 20 30 ECEDLO C#CC[C@@H]1CCC[N@H+](CC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000829769651 588340850 /nfs/dbraw/zinc/34/08/50/588340850.db2.gz YOPPCSNQDBVZPA-HUUCEWRRSA-N 1 2 326.462 0.757 20 30 ECEDLO N#Cc1ccc2ncc(C[NH2+]CCC[NH+]3CCN(C(=O)[O-])CC3)n2c1 ZINC000831141374 588408499 /nfs/dbraw/zinc/40/84/99/588408499.db2.gz HFWVZLLLYJBHHO-UHFFFAOYSA-N 1 2 342.403 0.981 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1cccc(F)c1C#N ZINC000832764239 588504125 /nfs/dbraw/zinc/50/41/25/588504125.db2.gz KIQJPCIGIIWNGI-LLVKDONJSA-N 1 2 327.381 0.384 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1cccc(F)c1C#N ZINC000832764239 588504127 /nfs/dbraw/zinc/50/41/27/588504127.db2.gz KIQJPCIGIIWNGI-LLVKDONJSA-N 1 2 327.381 0.384 20 30 ECEDLO CN(C)c1nc(N)nc(C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)n1 ZINC000844368188 589109372 /nfs/dbraw/zinc/10/93/72/589109372.db2.gz XBQMTWYTBGBHGY-CYBMUJFWSA-N 1 2 327.392 0.557 20 30 ECEDLO CN(C)c1nc(N)nc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)n1 ZINC000844368188 589109374 /nfs/dbraw/zinc/10/93/74/589109374.db2.gz XBQMTWYTBGBHGY-CYBMUJFWSA-N 1 2 327.392 0.557 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2cc(F)cc(C#N)c2)C[C@H](C)[N@H+]1CCO ZINC000867355203 589109939 /nfs/dbraw/zinc/10/99/39/589109939.db2.gz UGVHQEKNNPHLTN-TXEJJXNPSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2cc(F)cc(C#N)c2)C[C@H](C)[N@@H+]1CCO ZINC000867355203 589109940 /nfs/dbraw/zinc/10/99/40/589109940.db2.gz UGVHQEKNNPHLTN-TXEJJXNPSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)C[C@H](O)c1cccc(C#N)c1 ZINC000844879081 589124381 /nfs/dbraw/zinc/12/43/81/589124381.db2.gz ACTHCQIDACWMCT-YOEHRIQHSA-N 1 2 346.431 0.954 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CC2(Cn3cnnn3)CCCCC2)CC1 ZINC000845500561 589153774 /nfs/dbraw/zinc/15/37/74/589153774.db2.gz LNPSITZKDFUDIU-UHFFFAOYSA-N 1 2 330.436 0.791 20 30 ECEDLO N#CCC(=O)N1CC[NH+](CCC(=O)Nc2sccc2C(N)=O)CC1 ZINC000846956549 589230466 /nfs/dbraw/zinc/23/04/66/589230466.db2.gz NQJCFHXLWNTEHH-UHFFFAOYSA-N 1 2 349.416 0.233 20 30 ECEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000848636220 589304915 /nfs/dbraw/zinc/30/49/15/589304915.db2.gz KKNGPXZYRUSPJH-WCXIOVBPSA-N 1 2 349.475 0.862 20 30 ECEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000848636220 589304917 /nfs/dbraw/zinc/30/49/17/589304917.db2.gz KKNGPXZYRUSPJH-WCXIOVBPSA-N 1 2 349.475 0.862 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)Nc1ccn2cc[nH+]c2c1)C1CCOCC1 ZINC000850689331 589379896 /nfs/dbraw/zinc/37/98/96/589379896.db2.gz NJHKCLZNHUUDCZ-AWEZNQCLSA-N 1 2 326.356 0.817 20 30 ECEDLO C=CC[N@@H+](CCn1cnc(Br)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000851841673 589427682 /nfs/dbraw/zinc/42/76/82/589427682.db2.gz WJBVDQRBOXDVNN-SNVBAGLBSA-N 1 2 349.254 0.716 20 30 ECEDLO C=CC[N@H+](CCn1cnc(Br)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000851841673 589427683 /nfs/dbraw/zinc/42/76/83/589427683.db2.gz WJBVDQRBOXDVNN-SNVBAGLBSA-N 1 2 349.254 0.716 20 30 ECEDLO C#C[C@@](C)(CC)[NH2+]Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1 ZINC000852099877 589443419 /nfs/dbraw/zinc/44/34/19/589443419.db2.gz QVGGSXYNPROLGZ-HNNXBMFYSA-N 1 2 333.417 0.957 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H](N3CCOC3=O)C2)c1 ZINC000852436834 589496475 /nfs/dbraw/zinc/49/64/75/589496475.db2.gz OGDMOPMIQFSIHK-AWEZNQCLSA-N 1 2 349.412 0.858 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H](N3CCOC3=O)C2)c1 ZINC000852436834 589496477 /nfs/dbraw/zinc/49/64/77/589496477.db2.gz OGDMOPMIQFSIHK-AWEZNQCLSA-N 1 2 349.412 0.858 20 30 ECEDLO COCC[N@H+](CCF)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000852481103 589498227 /nfs/dbraw/zinc/49/82/27/589498227.db2.gz HPORCSNVYILCOL-OAHLLOKOSA-N 1 2 328.432 0.597 20 30 ECEDLO COCC[N@@H+](CCF)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000852481103 589498228 /nfs/dbraw/zinc/49/82/28/589498228.db2.gz HPORCSNVYILCOL-OAHLLOKOSA-N 1 2 328.432 0.597 20 30 ECEDLO C[N@@H+](Cc1nc2ccccc2c(=O)n1CC#N)C[C@@H]1COCCO1 ZINC000852497575 589498937 /nfs/dbraw/zinc/49/89/37/589498937.db2.gz YOEYQTUZXKLAMD-CYBMUJFWSA-N 1 2 328.372 0.767 20 30 ECEDLO C[N@H+](Cc1nc2ccccc2c(=O)n1CC#N)C[C@@H]1COCCO1 ZINC000852497575 589498939 /nfs/dbraw/zinc/49/89/39/589498939.db2.gz YOEYQTUZXKLAMD-CYBMUJFWSA-N 1 2 328.372 0.767 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=C[C@H]1CC1(Cl)Cl ZINC000853263684 589539245 /nfs/dbraw/zinc/53/92/45/589539245.db2.gz WVNOMRUSJJWGII-SECBINFHSA-N 1 2 325.265 0.962 20 30 ECEDLO C[C@@H]1C[N@H+](CCNc2ccc(S(N)(=O)=O)cc2C#N)[C@H](C)CO1 ZINC000853798852 589559572 /nfs/dbraw/zinc/55/95/72/589559572.db2.gz JAVLOUUGELRFMH-VXGBXAGGSA-N 1 2 338.433 0.727 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNc2ccc(S(N)(=O)=O)cc2C#N)[C@H](C)CO1 ZINC000853798852 589559573 /nfs/dbraw/zinc/55/95/73/589559573.db2.gz JAVLOUUGELRFMH-VXGBXAGGSA-N 1 2 338.433 0.727 20 30 ECEDLO C#C[C@H](NC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO)[C@H]1CCCO1 ZINC000854002661 589567944 /nfs/dbraw/zinc/56/79/44/589567944.db2.gz CFVYTEQCHOPEMK-BFHYXJOUSA-N 1 2 334.420 0.960 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)C#Cc2ccc3c(c2)OCO3)[C@H](C)CO1 ZINC000855411179 589630269 /nfs/dbraw/zinc/63/02/69/589630269.db2.gz OGRSKNZXSQUUKO-ZIAGYGMSSA-N 1 2 330.384 0.992 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)C#Cc2ccc3c(c2)OCO3)[C@H](C)CO1 ZINC000855411179 589630271 /nfs/dbraw/zinc/63/02/71/589630271.db2.gz OGRSKNZXSQUUKO-ZIAGYGMSSA-N 1 2 330.384 0.992 20 30 ECEDLO C#C[C@@H](NC(=O)C[NH+]1CCN(c2ccccn2)CC1)C1CCOCC1 ZINC000856109040 589654584 /nfs/dbraw/zinc/65/45/84/589654584.db2.gz MXEHIRZDDMGORS-QGZVFWFLSA-N 1 2 342.443 0.748 20 30 ECEDLO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2[nH+]ccn2C)cc1 ZINC000856276895 589658936 /nfs/dbraw/zinc/65/89/36/589658936.db2.gz SFJMHWVUTVPOGD-LBPRGKRZSA-N 1 2 346.412 0.823 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000866422507 589740542 /nfs/dbraw/zinc/74/05/42/589740542.db2.gz FCWDXJIDXDPKNJ-HNNXBMFYSA-N 1 2 342.399 0.805 20 30 ECEDLO CCOC(=O)[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)CCO1 ZINC000859148451 589802879 /nfs/dbraw/zinc/80/28/79/589802879.db2.gz RCMHYBABCXFNBF-KBPBESRZSA-N 1 2 326.393 0.322 20 30 ECEDLO CCOC(=O)[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)CCO1 ZINC000859148451 589802881 /nfs/dbraw/zinc/80/28/81/589802881.db2.gz RCMHYBABCXFNBF-KBPBESRZSA-N 1 2 326.393 0.322 20 30 ECEDLO CCOC(=O)[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)CCO1 ZINC000859147239 589803004 /nfs/dbraw/zinc/80/30/04/589803004.db2.gz DULUZUNCUSMNEJ-GDBMZVCRSA-N 1 2 334.372 0.562 20 30 ECEDLO CCOC(=O)[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)CCO1 ZINC000859147239 589803007 /nfs/dbraw/zinc/80/30/07/589803007.db2.gz DULUZUNCUSMNEJ-GDBMZVCRSA-N 1 2 334.372 0.562 20 30 ECEDLO C=CCOC[C@@H](NC(=O)[C@@H]1CCC[N@H+](CC(F)F)C1)C(=O)OC ZINC000867969957 589865877 /nfs/dbraw/zinc/86/58/77/589865877.db2.gz ULXCTFTZTXLQBX-VXGBXAGGSA-N 1 2 334.363 0.824 20 30 ECEDLO C=CCOC[C@@H](NC(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1)C(=O)OC ZINC000867969957 589865879 /nfs/dbraw/zinc/86/58/79/589865879.db2.gz ULXCTFTZTXLQBX-VXGBXAGGSA-N 1 2 334.363 0.824 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)C#Cc1ccccc1 ZINC000862644879 589953386 /nfs/dbraw/zinc/95/33/86/589953386.db2.gz RRFQNWNIHDHYEC-LJQANCHMSA-N 1 2 328.412 0.770 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)C#Cc1ccccc1 ZINC000862644879 589953389 /nfs/dbraw/zinc/95/33/89/589953389.db2.gz RRFQNWNIHDHYEC-LJQANCHMSA-N 1 2 328.412 0.770 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)C#Cc1ccccc1 ZINC000862644878 589953873 /nfs/dbraw/zinc/95/38/73/589953873.db2.gz RRFQNWNIHDHYEC-IBGZPJMESA-N 1 2 328.412 0.770 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)C#Cc1ccccc1 ZINC000862644878 589953876 /nfs/dbraw/zinc/95/38/76/589953876.db2.gz RRFQNWNIHDHYEC-IBGZPJMESA-N 1 2 328.412 0.770 20 30 ECEDLO N#C[C@@]1(C(=O)N2Cc3ccc[nH+]c3N3C[C@H](O)C[C@H]3C2)CCCOC1 ZINC000869349659 589961094 /nfs/dbraw/zinc/96/10/94/589961094.db2.gz YAHWVXSFBAYTIZ-DAYGRLMNSA-N 1 2 342.399 0.684 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870057935 589992002 /nfs/dbraw/zinc/99/20/02/589992002.db2.gz GCLAUVYAPKICQK-CVEARBPZSA-N 1 2 339.436 0.017 20 30 ECEDLO N#CCc1ccc(C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000870065733 589995237 /nfs/dbraw/zinc/99/52/37/589995237.db2.gz UQXHDLGYCUSLNP-QGZVFWFLSA-N 1 2 329.400 0.926 20 30 ECEDLO C=C(C)[C@H](CC(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1)OCC ZINC000870065994 589995867 /nfs/dbraw/zinc/99/58/67/589995867.db2.gz XZQFCHDIDSVWRK-CVEARBPZSA-N 1 2 326.437 0.917 20 30 ECEDLO N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000864640834 590090334 /nfs/dbraw/zinc/09/03/34/590090334.db2.gz ZWPQJZXDRPTFMM-CVEARBPZSA-N 1 2 325.372 0.852 20 30 ECEDLO N#C[C@@]1(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CCCOC1 ZINC000864803901 590106523 /nfs/dbraw/zinc/10/65/23/590106523.db2.gz LVWONMVEROUONU-KRWDZBQOSA-N 1 2 330.388 0.855 20 30 ECEDLO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c(C#N)c1 ZINC000872494403 590121159 /nfs/dbraw/zinc/12/11/59/590121159.db2.gz HHQBEIMJYUUGPY-OKILXGFUSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c(C#N)c1 ZINC000872494403 590121160 /nfs/dbraw/zinc/12/11/60/590121160.db2.gz HHQBEIMJYUUGPY-OKILXGFUSA-N 1 2 337.445 0.942 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2[nH]cnc2C(C)(C)C)CC1 ZINC000865178207 590129764 /nfs/dbraw/zinc/12/97/64/590129764.db2.gz URZDVSUTIIWTDG-UHFFFAOYSA-N 1 2 345.447 0.605 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2[nH]cnc2C(C)(C)C)CC1 ZINC000865178207 590129766 /nfs/dbraw/zinc/12/97/66/590129766.db2.gz URZDVSUTIIWTDG-UHFFFAOYSA-N 1 2 345.447 0.605 20 30 ECEDLO Cn1cc[nH+]c1CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1 ZINC000872900531 590173154 /nfs/dbraw/zinc/17/31/54/590173154.db2.gz YHPSPHXJLXSLFX-UHFFFAOYSA-N 1 2 325.376 0.719 20 30 ECEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000874348693 590233912 /nfs/dbraw/zinc/23/39/12/590233912.db2.gz YUNOARRXKCNOCQ-AWEZNQCLSA-N 1 2 348.378 0.863 20 30 ECEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000874348693 590233913 /nfs/dbraw/zinc/23/39/13/590233913.db2.gz YUNOARRXKCNOCQ-AWEZNQCLSA-N 1 2 348.378 0.863 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000875599741 590313091 /nfs/dbraw/zinc/31/30/91/590313091.db2.gz MCLKPLKBZFVYIV-UONOGXRCSA-N 1 2 332.404 0.660 20 30 ECEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1)C1CC1 ZINC000879764459 590343682 /nfs/dbraw/zinc/34/36/82/590343682.db2.gz XTJNPRUOEKHDHA-ZIAGYGMSSA-N 1 2 346.353 0.938 20 30 ECEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1)C1CC1 ZINC000879764459 590343685 /nfs/dbraw/zinc/34/36/85/590343685.db2.gz XTJNPRUOEKHDHA-ZIAGYGMSSA-N 1 2 346.353 0.938 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879930154 590352157 /nfs/dbraw/zinc/35/21/57/590352157.db2.gz NLKYWOOZISEFSO-ORIJERBGSA-N 1 2 341.477 0.796 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879930154 590352158 /nfs/dbraw/zinc/35/21/58/590352158.db2.gz NLKYWOOZISEFSO-ORIJERBGSA-N 1 2 341.477 0.796 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1cccc(F)c1C#N)[C@@H]1C[N@H+](C)CCO1 ZINC000128245042 590375018 /nfs/dbraw/zinc/37/50/18/590375018.db2.gz CTZFTVIIIWIKAK-MFKMUULPSA-N 1 2 327.381 0.695 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1cccc(F)c1C#N)[C@@H]1C[N@@H+](C)CCO1 ZINC000128245042 590375020 /nfs/dbraw/zinc/37/50/20/590375020.db2.gz CTZFTVIIIWIKAK-MFKMUULPSA-N 1 2 327.381 0.695 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000128430670 590393353 /nfs/dbraw/zinc/39/33/53/590393353.db2.gz QOHDPGMSCMSSBD-HNNXBMFYSA-N 1 2 349.456 0.439 20 30 ECEDLO COC(=O)[C@@]1(O)CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000880563023 590405235 /nfs/dbraw/zinc/40/52/35/590405235.db2.gz DVUKJXUMSRKWLQ-WMLDXEAASA-N 1 2 329.356 0.273 20 30 ECEDLO COC(=O)[C@@]1(O)CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000880563023 590405236 /nfs/dbraw/zinc/40/52/36/590405236.db2.gz DVUKJXUMSRKWLQ-WMLDXEAASA-N 1 2 329.356 0.273 20 30 ECEDLO C#CCNC(=O)C1CCN(C(=O)Nc2cc3n(n2)CC[N@@H+](C)C3)CC1 ZINC000880812735 590419665 /nfs/dbraw/zinc/41/96/65/590419665.db2.gz HKHDJZZNUWKVOS-UHFFFAOYSA-N 1 2 344.419 0.322 20 30 ECEDLO C#CCNC(=O)C1CCN(C(=O)Nc2cc3n(n2)CC[N@H+](C)C3)CC1 ZINC000880812735 590419666 /nfs/dbraw/zinc/41/96/66/590419666.db2.gz HKHDJZZNUWKVOS-UHFFFAOYSA-N 1 2 344.419 0.322 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cc2c(Br)cnn2C)CC1 ZINC000878445682 590522008 /nfs/dbraw/zinc/52/20/08/590522008.db2.gz BREXTFOIFHBWRI-UHFFFAOYSA-N 1 2 325.210 0.503 20 30 ECEDLO C[C@H]1C[NH+](CCn2cnc(Br)n2)C[C@H](C)N1CC#N ZINC000878772285 590541608 /nfs/dbraw/zinc/54/16/08/590541608.db2.gz JSLAJIQVVLPFPN-QWRGUYRKSA-N 1 2 327.230 0.959 20 30 ECEDLO C#CCNc1nc(N2CC[C@@H](CF)C2)nc(N2CC[C@@H](CF)C2)[nH+]1 ZINC000882840338 590589441 /nfs/dbraw/zinc/58/94/41/590589441.db2.gz RFHINNVYTWQEEA-STQMWFEESA-N 1 2 336.390 0.930 20 30 ECEDLO C#CCNc1nc(N2CC[C@@H](CF)C2)[nH+]c(N2CC[C@@H](CF)C2)n1 ZINC000882840338 590589444 /nfs/dbraw/zinc/58/94/44/590589444.db2.gz RFHINNVYTWQEEA-STQMWFEESA-N 1 2 336.390 0.930 20 30 ECEDLO C#CCOCCC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000130995093 590605002 /nfs/dbraw/zinc/60/50/02/590605002.db2.gz MKTSKVWUZDHKIZ-UHFFFAOYSA-N 1 2 344.415 0.439 20 30 ECEDLO C=C(C)C[C@@H](CO)NC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000883797761 590668040 /nfs/dbraw/zinc/66/80/40/590668040.db2.gz KFDQLSCFPXJROD-DLBZAZTESA-N 1 2 348.447 0.909 20 30 ECEDLO C=C(C)C[C@@H](CO)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000883797761 590668044 /nfs/dbraw/zinc/66/80/44/590668044.db2.gz KFDQLSCFPXJROD-DLBZAZTESA-N 1 2 348.447 0.909 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)OC)o2)C1 ZINC000885511624 590730126 /nfs/dbraw/zinc/73/01/26/590730126.db2.gz LEXLIOWXZHGIJE-LLVKDONJSA-N 1 2 326.374 0.442 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)OC)o2)C1 ZINC000885511624 590730129 /nfs/dbraw/zinc/73/01/29/590730129.db2.gz LEXLIOWXZHGIJE-LLVKDONJSA-N 1 2 326.374 0.442 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000885513914 590730275 /nfs/dbraw/zinc/73/02/75/590730275.db2.gz JVCCIXVDRZHKLA-GFCCVEGCSA-N 1 2 349.412 0.393 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000885513914 590730278 /nfs/dbraw/zinc/73/02/78/590730278.db2.gz JVCCIXVDRZHKLA-GFCCVEGCSA-N 1 2 349.412 0.393 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000884112023 590743449 /nfs/dbraw/zinc/74/34/49/590743449.db2.gz ZORPAPSPUUGYBA-GJZGRUSLSA-N 1 2 340.420 0.620 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCOc1ccc(F)cc1F ZINC000884128592 590749109 /nfs/dbraw/zinc/74/91/09/590749109.db2.gz IGQPTGSICCYKMU-LBPRGKRZSA-N 1 2 328.315 0.906 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCN(CC(F)(F)F)CC1 ZINC000884185719 590766027 /nfs/dbraw/zinc/76/60/27/590766027.db2.gz FFKDMJDSLVFXRE-NSHDSACASA-N 1 2 337.342 0.530 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C(C)(C)C(=O)OC)C1 ZINC000884379010 590816342 /nfs/dbraw/zinc/81/63/42/590816342.db2.gz LGIZIFPAYKRADQ-OLZOCXBDSA-N 1 2 340.420 0.871 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000884409598 590822233 /nfs/dbraw/zinc/82/22/33/590822233.db2.gz NOIDEGUAEFIFQX-ILXRZTDVSA-N 1 2 334.420 0.694 20 30 ECEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886796658 590884366 /nfs/dbraw/zinc/88/43/66/590884366.db2.gz HJKMXTXLVRANIO-ZDUSSCGKSA-N 1 2 332.326 0.889 20 30 ECEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886796658 590884368 /nfs/dbraw/zinc/88/43/68/590884368.db2.gz HJKMXTXLVRANIO-ZDUSSCGKSA-N 1 2 332.326 0.889 20 30 ECEDLO C=CCC1(O)CC[NH+]([C@H]2CC(=O)N(c3cnn(CC)c3)C2=O)CC1 ZINC000887306366 590959911 /nfs/dbraw/zinc/95/99/11/590959911.db2.gz QLYIBCGWXZCBDV-AWEZNQCLSA-N 1 2 332.404 0.938 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)NCc2n[nH]c(C3CCOCC3)n2)C1 ZINC000889470595 591057281 /nfs/dbraw/zinc/05/72/81/591057281.db2.gz RLWDAXUGRIVDLN-AWEZNQCLSA-N 1 2 346.435 0.596 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2n[nH]c(C3CCOCC3)n2)C1 ZINC000889470595 591057284 /nfs/dbraw/zinc/05/72/84/591057284.db2.gz RLWDAXUGRIVDLN-AWEZNQCLSA-N 1 2 346.435 0.596 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000890366530 591152168 /nfs/dbraw/zinc/15/21/68/591152168.db2.gz AIWLUIUIGCEVPX-UKRRQHHQSA-N 1 2 347.440 0.912 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000890366530 591152170 /nfs/dbraw/zinc/15/21/70/591152170.db2.gz AIWLUIUIGCEVPX-UKRRQHHQSA-N 1 2 347.440 0.912 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2c(C)cc(C#N)cc2C)CC1 ZINC000930118543 611392508 /nfs/dbraw/zinc/39/25/08/611392508.db2.gz HMGROCLTTDWCGF-UHFFFAOYSA-N 1 2 346.456 0.760 20 30 ECEDLO O=C(C#CC1CC1)N1CCC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000946696716 611418286 /nfs/dbraw/zinc/41/82/86/611418286.db2.gz YUMBQEQNFZSJAU-HNNXBMFYSA-N 1 2 340.427 0.966 20 30 ECEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](C[C@@H](O)C2(O)CCOCC2)C1 ZINC000930923759 611483023 /nfs/dbraw/zinc/48/30/23/611483023.db2.gz OAVODUUOLJYJMC-SJORKVTESA-N 1 2 331.416 0.841 20 30 ECEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](C[C@@H](O)C2(O)CCOCC2)C1 ZINC000930923759 611483025 /nfs/dbraw/zinc/48/30/25/611483025.db2.gz OAVODUUOLJYJMC-SJORKVTESA-N 1 2 331.416 0.841 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)CC1 ZINC000932036444 611594257 /nfs/dbraw/zinc/59/42/57/611594257.db2.gz DNQIAVWQUQTKIQ-XYJQFASLSA-N 1 2 329.444 0.562 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)CC1 ZINC000932036444 611594259 /nfs/dbraw/zinc/59/42/59/611594259.db2.gz DNQIAVWQUQTKIQ-XYJQFASLSA-N 1 2 329.444 0.562 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H]2C(=O)NC(C)(C)C)CC1 ZINC000932439333 611626139 /nfs/dbraw/zinc/62/61/39/611626139.db2.gz XODRNEIKPHBBKC-OAHLLOKOSA-N 1 2 334.464 0.143 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C(=O)NC(C)(C)C)CC1 ZINC000932439333 611626142 /nfs/dbraw/zinc/62/61/42/611626142.db2.gz XODRNEIKPHBBKC-OAHLLOKOSA-N 1 2 334.464 0.143 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC(NC(=O)Cn3cc[nH+]c3)CC2)cn1 ZINC000947631919 611626526 /nfs/dbraw/zinc/62/65/26/611626526.db2.gz ROQIVKZNSBLEPI-UHFFFAOYSA-N 1 2 337.383 0.680 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@]3(C)CCN(C(C)=O)C3)CC2)C1 ZINC000949508774 608720834 /nfs/dbraw/zinc/72/08/34/608720834.db2.gz CEUXNRLUTLXIDN-GOSISDBHSA-N 1 2 347.459 0.572 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@]3(C)CCN(C(C)=O)C3)CC2)C1 ZINC000949508774 608720836 /nfs/dbraw/zinc/72/08/36/608720836.db2.gz CEUXNRLUTLXIDN-GOSISDBHSA-N 1 2 347.459 0.572 20 30 ECEDLO CC[C@@H]1C(=O)NCCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000933217938 608727306 /nfs/dbraw/zinc/72/73/06/608727306.db2.gz OOKGFCBCXZDXSR-MRXNPFEDSA-N 1 2 339.395 0.887 20 30 ECEDLO CC[C@@H]1C(=O)NCCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000933217938 608727309 /nfs/dbraw/zinc/72/73/09/608727309.db2.gz OOKGFCBCXZDXSR-MRXNPFEDSA-N 1 2 339.395 0.887 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)[C@H](C)C2)C1 ZINC000947701957 611659155 /nfs/dbraw/zinc/65/91/55/611659155.db2.gz HOLUIUXSDYCFFX-CHWSQXEVSA-N 1 2 333.436 0.934 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)[C@H](C)C2)C1 ZINC000947701957 611659158 /nfs/dbraw/zinc/65/91/58/611659158.db2.gz HOLUIUXSDYCFFX-CHWSQXEVSA-N 1 2 333.436 0.934 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000949627367 608816756 /nfs/dbraw/zinc/81/67/56/608816756.db2.gz CMZRKNYGXXKPMH-HNNXBMFYSA-N 1 2 337.464 0.716 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C[C@H]1C ZINC000947308926 608944532 /nfs/dbraw/zinc/94/45/32/608944532.db2.gz BCFXDZHRRKTEIT-GHMZBOCLSA-N 1 2 343.229 0.551 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C[C@H]1C ZINC000947308926 608944534 /nfs/dbraw/zinc/94/45/34/608944534.db2.gz BCFXDZHRRKTEIT-GHMZBOCLSA-N 1 2 343.229 0.551 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000937177477 609023085 /nfs/dbraw/zinc/02/30/85/609023085.db2.gz CWXGHSNGSVTDJK-ZDUSSCGKSA-N 1 2 340.387 0.834 20 30 ECEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000907790003 609622510 /nfs/dbraw/zinc/62/25/10/609622510.db2.gz UBFUHCRASXEIOJ-UHFFFAOYSA-N 1 2 336.461 0.735 20 30 ECEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000907790003 609622511 /nfs/dbraw/zinc/62/25/11/609622511.db2.gz UBFUHCRASXEIOJ-UHFFFAOYSA-N 1 2 336.461 0.735 20 30 ECEDLO C=CCC[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)[O-] ZINC000908990270 609673648 /nfs/dbraw/zinc/67/36/48/609673648.db2.gz VMLKLEKKZKRYDH-HIFRSBDPSA-N 1 2 338.452 0.874 20 30 ECEDLO C=CCC[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)[O-] ZINC000908990270 609673651 /nfs/dbraw/zinc/67/36/51/609673651.db2.gz VMLKLEKKZKRYDH-HIFRSBDPSA-N 1 2 338.452 0.874 20 30 ECEDLO Cn1cc([C@H]2CN(C(=O)COc3ccc(C#N)cc3)CC[NH2+]2)cn1 ZINC000913474673 609678851 /nfs/dbraw/zinc/67/88/51/609678851.db2.gz FMZMPRHJPANMDK-MRXNPFEDSA-N 1 2 325.372 0.844 20 30 ECEDLO C#CCCCc1nnc(N(C)CC[NH+]2CCOCC2)n1CCOC ZINC000909195695 609685594 /nfs/dbraw/zinc/68/55/94/609685594.db2.gz IYNWMHDFRGRUGY-UHFFFAOYSA-N 1 2 335.452 0.649 20 30 ECEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000928645591 611706649 /nfs/dbraw/zinc/70/66/49/611706649.db2.gz ZOKNWMSPBCCMRL-MRXNPFEDSA-N 1 2 344.415 0.515 20 30 ECEDLO C[N@@H+]1CCN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C[C@H]1CO ZINC000913551092 609692310 /nfs/dbraw/zinc/69/23/10/609692310.db2.gz IDUBNZTWTAINEB-IRXDYDNUSA-N 1 2 328.416 0.662 20 30 ECEDLO C[N@H+]1CCN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C[C@H]1CO ZINC000913551092 609692312 /nfs/dbraw/zinc/69/23/12/609692312.db2.gz IDUBNZTWTAINEB-IRXDYDNUSA-N 1 2 328.416 0.662 20 30 ECEDLO C[NH+](C)Cc1csc(CNS(=O)(=O)c2cncc(C#N)c2)n1 ZINC000921092944 609698147 /nfs/dbraw/zinc/69/81/47/609698147.db2.gz JKZNTLSOGDPAIQ-UHFFFAOYSA-N 1 2 337.430 0.950 20 30 ECEDLO C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@H]1C ZINC000947825425 611709330 /nfs/dbraw/zinc/70/93/30/611709330.db2.gz QAXAETIVLHOEGQ-CHWSQXEVSA-N 1 2 342.403 0.064 20 30 ECEDLO C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@H]1C ZINC000947825425 611709332 /nfs/dbraw/zinc/70/93/32/611709332.db2.gz QAXAETIVLHOEGQ-CHWSQXEVSA-N 1 2 342.403 0.064 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC000938532419 609847479 /nfs/dbraw/zinc/84/74/79/609847479.db2.gz HIDQZFOBJMRFRS-ZDUSSCGKSA-N 1 2 343.391 0.103 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H](N(C)C(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC000938532332 609847548 /nfs/dbraw/zinc/84/75/48/609847548.db2.gz FTUIRDUSWBIMJU-GFCCVEGCSA-N 1 2 343.391 0.103 20 30 ECEDLO CC(C)(C#N)CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000915272949 609909008 /nfs/dbraw/zinc/90/90/08/609909008.db2.gz QFKLRZLZCCKOBY-AWEZNQCLSA-N 1 2 329.466 0.910 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)c1 ZINC000938703515 609951864 /nfs/dbraw/zinc/95/18/64/609951864.db2.gz GDKUCQPZBBNBGX-HNNXBMFYSA-N 1 2 337.383 0.668 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)c1 ZINC000938779795 609995172 /nfs/dbraw/zinc/99/51/72/609995172.db2.gz IAOHRSLLMKTDIS-INIZCTEOSA-N 1 2 337.383 0.633 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)cn1 ZINC000939908588 610168963 /nfs/dbraw/zinc/16/89/63/610168963.db2.gz QQONJPAHJOFLJL-MRXNPFEDSA-N 1 2 337.383 0.702 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nnc(C)o2)CC1 ZINC000940158146 610224769 /nfs/dbraw/zinc/22/47/69/610224769.db2.gz RIQGOMYMUNKYAH-HNNXBMFYSA-N 1 2 345.447 0.946 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nnc(C)o2)CC1 ZINC000940158146 610224774 /nfs/dbraw/zinc/22/47/74/610224774.db2.gz RIQGOMYMUNKYAH-HNNXBMFYSA-N 1 2 345.447 0.946 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000940379209 610276709 /nfs/dbraw/zinc/27/67/09/610276709.db2.gz DYNAMZAGKGAEAB-CUBALJKWSA-N 1 2 346.431 0.815 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)Cc2ccn[nH]2)CC1 ZINC000940581185 610304641 /nfs/dbraw/zinc/30/46/41/610304641.db2.gz HOVFXXWGAGTLFF-INIZCTEOSA-N 1 2 343.431 0.111 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C(=O)Cc2ccn[nH]2)CC1 ZINC000940581185 610304643 /nfs/dbraw/zinc/30/46/43/610304643.db2.gz HOVFXXWGAGTLFF-INIZCTEOSA-N 1 2 343.431 0.111 20 30 ECEDLO C=CC[NH+]1CC(N2CCN(C(=O)c3cccc4n[nH]nc43)CC2)C1 ZINC000941419752 610306149 /nfs/dbraw/zinc/30/61/49/610306149.db2.gz DBEDWGABZLDWMM-UHFFFAOYSA-N 1 2 326.404 0.586 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C[C@H]3CCOC[C@@H]3OC)CC2)C1 ZINC000941432751 610312940 /nfs/dbraw/zinc/31/29/40/610312940.db2.gz FRJZZTNGVKPQOM-AEFFLSMTSA-N 1 2 349.475 0.280 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cncc(OC)c3C)CC2)C1 ZINC000941456237 610318612 /nfs/dbraw/zinc/31/86/12/610318612.db2.gz MBARJNCCIQDHNC-UHFFFAOYSA-N 1 2 342.443 0.864 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cncc(OC)c3C)CC2)C1 ZINC000941456642 610318841 /nfs/dbraw/zinc/31/88/41/610318841.db2.gz RSVVWVLRHFCUGW-UHFFFAOYSA-N 1 2 328.416 0.474 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3noc4ccccc43)CC2)C1 ZINC000941476036 610332628 /nfs/dbraw/zinc/33/26/28/610332628.db2.gz HQSUSCLONNJDPF-UHFFFAOYSA-N 1 2 338.411 0.832 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000940719215 610345488 /nfs/dbraw/zinc/34/54/88/610345488.db2.gz XGZDLNHGNLJAMV-WWGRRREGSA-N 1 2 332.404 0.651 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)c3cncnc3)CC2)C1 ZINC000941534142 610365834 /nfs/dbraw/zinc/36/58/34/610365834.db2.gz NWTJDSFNMWCIGC-OAHLLOKOSA-N 1 2 327.432 0.432 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3noc4c3C[C@@H](C)CC4)CC2)C1 ZINC000941627875 610416363 /nfs/dbraw/zinc/41/63/63/610416363.db2.gz MWQHDCOMDKCLHH-AWEZNQCLSA-N 1 2 342.443 0.875 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)COc3ccccc3OC)CC2)C1 ZINC000941662032 610439347 /nfs/dbraw/zinc/43/93/47/610439347.db2.gz RZWKHVJTHNAXJN-UHFFFAOYSA-N 1 2 343.427 0.536 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c(OC)cccc3OC)CC2)C1 ZINC000941651236 610441280 /nfs/dbraw/zinc/44/12/80/610441280.db2.gz YUMRXLKLLVFESL-UHFFFAOYSA-N 1 2 343.427 0.779 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(OC)cc3OC)CC2)C1 ZINC000941651104 610441491 /nfs/dbraw/zinc/44/14/91/610441491.db2.gz SDZIWWJPXGBUPR-UHFFFAOYSA-N 1 2 343.427 0.779 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000942447971 610454632 /nfs/dbraw/zinc/45/46/32/610454632.db2.gz RTOBJGPKSGCSQL-MCIONIFRSA-N 1 2 346.431 0.996 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC000942474440 610471772 /nfs/dbraw/zinc/47/17/72/610471772.db2.gz CDCDDUAHRNDOHZ-HUUCEWRRSA-N 1 2 348.447 0.508 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(CC)CC)C[C@H]1OC ZINC000942513167 610492611 /nfs/dbraw/zinc/49/26/11/610492611.db2.gz GEUNQNUWZVKFCC-IXDOHACOSA-N 1 2 349.475 0.862 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(CC)CC)C[C@H]1OC ZINC000942513167 610492612 /nfs/dbraw/zinc/49/26/12/610492612.db2.gz GEUNQNUWZVKFCC-IXDOHACOSA-N 1 2 349.475 0.862 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1OC ZINC000942513304 610492627 /nfs/dbraw/zinc/49/26/27/610492627.db2.gz LNDIDTUBMLMAIH-OWCLPIDISA-N 1 2 344.415 0.068 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1OC ZINC000942513304 610492629 /nfs/dbraw/zinc/49/26/29/610492629.db2.gz LNDIDTUBMLMAIH-OWCLPIDISA-N 1 2 344.415 0.068 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2cnn(C)n2)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941965448 610587538 /nfs/dbraw/zinc/58/75/38/610587538.db2.gz ASWQQCMHDDUEQT-BXUZGUMPSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2cnn(C)n2)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941965448 610587540 /nfs/dbraw/zinc/58/75/40/610587540.db2.gz ASWQQCMHDDUEQT-BXUZGUMPSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2cn(C)nn2)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941965398 610587858 /nfs/dbraw/zinc/58/78/58/610587858.db2.gz AGQCCKVWRVYFRA-BXUZGUMPSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2cn(C)nn2)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941965398 610587859 /nfs/dbraw/zinc/58/78/59/610587859.db2.gz AGQCCKVWRVYFRA-BXUZGUMPSA-N 1 2 327.392 0.655 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CCCN2C(=O)Cc2[nH]cc[nH+]2)c1 ZINC000944235566 610802945 /nfs/dbraw/zinc/80/29/45/610802945.db2.gz QCWBQMDXTRMJMT-OAHLLOKOSA-N 1 2 337.383 0.750 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)Cc2c[nH+]c[nH]2)cn1 ZINC000944328181 610839078 /nfs/dbraw/zinc/83/90/78/610839078.db2.gz AXBMPAVRAACJGB-MRXNPFEDSA-N 1 2 337.383 0.750 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC000944415827 610858099 /nfs/dbraw/zinc/85/80/99/610858099.db2.gz FRQXBDATBKMLFZ-ZDUSSCGKSA-N 1 2 329.404 0.953 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3nncn3C)C[C@H]2C)nn1 ZINC000943483183 610869271 /nfs/dbraw/zinc/86/92/71/610869271.db2.gz UWUNEDJOPLEFHC-OLZOCXBDSA-N 1 2 344.423 0.233 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3nncn3C)C[C@H]2C)nn1 ZINC000943483183 610869272 /nfs/dbraw/zinc/86/92/72/610869272.db2.gz UWUNEDJOPLEFHC-OLZOCXBDSA-N 1 2 344.423 0.233 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnns3)C[C@@H]2C)nn1 ZINC000943496261 610883619 /nfs/dbraw/zinc/88/36/19/610883619.db2.gz HFBZJPGZESVDDX-WCQYABFASA-N 1 2 347.448 0.956 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cnns3)C[C@@H]2C)nn1 ZINC000943496261 610883621 /nfs/dbraw/zinc/88/36/21/610883621.db2.gz HFBZJPGZESVDDX-WCQYABFASA-N 1 2 347.448 0.956 20 30 ECEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000945280116 610995135 /nfs/dbraw/zinc/99/51/35/610995135.db2.gz WOSGSRWMEDXOTM-DGCLKSJQSA-N 1 2 340.387 0.819 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)Cc1ccn[nH]1 ZINC000943925913 611043387 /nfs/dbraw/zinc/04/33/87/611043387.db2.gz YDIAJWDMIWVUEH-CVEARBPZSA-N 1 2 343.431 0.157 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)Cc1ccn[nH]1 ZINC000943925913 611043389 /nfs/dbraw/zinc/04/33/89/611043389.db2.gz YDIAJWDMIWVUEH-CVEARBPZSA-N 1 2 343.431 0.157 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000945542871 611067020 /nfs/dbraw/zinc/06/70/20/611067020.db2.gz QQKDRKRMGIONAU-BXUZGUMPSA-N 1 2 340.387 0.819 20 30 ECEDLO C=CCn1cc(CNC(=O)NCc2nc(C[NH+](C)C)cs2)nn1 ZINC000922955353 611186664 /nfs/dbraw/zinc/18/66/64/611186664.db2.gz OKMUUEABAVEXGI-UHFFFAOYSA-N 1 2 335.437 0.982 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000921898015 611324551 /nfs/dbraw/zinc/32/45/51/611324551.db2.gz XEYQRSJVXCTZDR-UHFFFAOYSA-N 1 2 346.478 0.605 20 30 ECEDLO C#CC[NH+]1CCC(NC(=O)NCC2(S(C)(=O)=O)CCCC2)CC1 ZINC000922453828 611351298 /nfs/dbraw/zinc/35/12/98/611351298.db2.gz CZLOEOCKNJZTHM-UHFFFAOYSA-N 1 2 341.477 0.741 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCOC[C@H]2C[C@H]2CCCO2)CC1 ZINC000933681379 611741021 /nfs/dbraw/zinc/74/10/21/611741021.db2.gz JWOJXGGPJKWGPF-IAGOWNOFSA-N 1 2 335.448 0.034 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCOC[C@H]2C[C@H]2CCCO2)CC1 ZINC000933681379 611741022 /nfs/dbraw/zinc/74/10/22/611741022.db2.gz JWOJXGGPJKWGPF-IAGOWNOFSA-N 1 2 335.448 0.034 20 30 ECEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2sccc2-n2cnnn2)C1 ZINC000950731884 611867532 /nfs/dbraw/zinc/86/75/32/611867532.db2.gz ZVTDLAQIRNISDW-UHFFFAOYSA-N 1 2 330.417 0.893 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000950739699 611874791 /nfs/dbraw/zinc/87/47/91/611874791.db2.gz ACURMADDGVCSOJ-CABCVRRESA-N 1 2 326.400 0.576 20 30 ECEDLO O=C(C#CC1CC1)N1CCC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000950763862 611895714 /nfs/dbraw/zinc/89/57/14/611895714.db2.gz CSOBEHGTHPYGLA-HOTGVXAUSA-N 1 2 340.427 0.966 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)Cc3c(C)n[nH]c3C)CC2)C1 ZINC000949522997 612019749 /nfs/dbraw/zinc/01/97/49/612019749.db2.gz BHBMCADFJHPIJU-UHFFFAOYSA-N 1 2 330.432 0.896 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)Cc3c(C)n[nH]c3C)CC2)C1 ZINC000949522997 612019751 /nfs/dbraw/zinc/01/97/51/612019751.db2.gz BHBMCADFJHPIJU-UHFFFAOYSA-N 1 2 330.432 0.896 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](CC)N3CCCC3=O)CC2)C1 ZINC000949529501 612022482 /nfs/dbraw/zinc/02/24/82/612022482.db2.gz XEBQFDUPIWXWDT-INIZCTEOSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H](CC)N3CCCC3=O)CC2)C1 ZINC000949529501 612022483 /nfs/dbraw/zinc/02/24/83/612022483.db2.gz XEBQFDUPIWXWDT-INIZCTEOSA-N 1 2 347.459 0.714 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000952784546 612100232 /nfs/dbraw/zinc/10/02/32/612100232.db2.gz MWOBXOOOGHRQDI-BYNSBNAKSA-N 1 2 334.420 0.069 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000952784546 612100236 /nfs/dbraw/zinc/10/02/36/612100236.db2.gz MWOBXOOOGHRQDI-BYNSBNAKSA-N 1 2 334.420 0.069 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000951255196 612109373 /nfs/dbraw/zinc/10/93/73/612109373.db2.gz KLVQCSKUDIYFQU-VYDXJSESSA-N 1 2 346.431 0.972 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000951509973 612283824 /nfs/dbraw/zinc/28/38/24/612283824.db2.gz ASEXEKVDGDFZMA-CYBMUJFWSA-N 1 2 340.387 0.881 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ncccc2O)C1 ZINC000954630795 612468491 /nfs/dbraw/zinc/46/84/91/612468491.db2.gz KAPZKPAILPKVCT-AWEZNQCLSA-N 1 2 342.399 0.168 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2ncccc2O)C1 ZINC000954630795 612468493 /nfs/dbraw/zinc/46/84/93/612468493.db2.gz KAPZKPAILPKVCT-AWEZNQCLSA-N 1 2 342.399 0.168 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000955364258 612502070 /nfs/dbraw/zinc/50/20/70/612502070.db2.gz ACVAEDMLYQCMDQ-CABCVRRESA-N 1 2 346.431 0.613 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000953994842 612532930 /nfs/dbraw/zinc/53/29/30/612532930.db2.gz WWTGHXAJYULAKM-UHFFFAOYSA-N 1 2 326.360 0.456 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)Cc2[nH]cc[nH+]2)cn1 ZINC000956178807 612761834 /nfs/dbraw/zinc/76/18/34/612761834.db2.gz INTQTONUFGZZHE-HNNXBMFYSA-N 1 2 337.383 0.750 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000954394211 612889235 /nfs/dbraw/zinc/88/92/35/612889235.db2.gz RLBFLWJNJRQFJG-HOCLYGCPSA-N 1 2 332.404 0.603 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)COC)CC2)C1 ZINC000956579430 612916756 /nfs/dbraw/zinc/91/67/56/612916756.db2.gz ZQVBTKNIHWCYEL-HNNXBMFYSA-N 1 2 337.464 0.980 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCN(C(C)=O)C2)CC1 ZINC000956594187 612921527 /nfs/dbraw/zinc/92/15/27/612921527.db2.gz LRMGFBVPWXSTEQ-ULQDDVLXSA-N 1 2 335.448 0.733 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H](C)n3nc(C)cc3C)[C@H]2C1 ZINC001083275660 738492334 /nfs/dbraw/zinc/49/23/34/738492334.db2.gz PXNFMINONBQKFR-IXDOHACOSA-N 1 2 330.432 0.996 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H](C)n3nc(C)cc3C)[C@H]2C1 ZINC001083275660 738492337 /nfs/dbraw/zinc/49/23/37/738492337.db2.gz PXNFMINONBQKFR-IXDOHACOSA-N 1 2 330.432 0.996 20 30 ECEDLO Cc1cc(C)c(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)c(C)[nH+]1 ZINC001025042613 738529139 /nfs/dbraw/zinc/52/91/39/738529139.db2.gz BKASDAJSUNNCOR-HZPDHXFCSA-N 1 2 341.411 0.722 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000969269779 731656652 /nfs/dbraw/zinc/65/66/52/731656652.db2.gz UZGLVIRCZCIMOZ-ZQDZILKHSA-N 1 2 341.415 0.807 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000969269776 731656746 /nfs/dbraw/zinc/65/67/46/731656746.db2.gz UZGLVIRCZCIMOZ-BARDWOONSA-N 1 2 341.415 0.807 20 30 ECEDLO Cc1nsc(N(C)C[C@@H](O)CN(C)C(=O)Cc2c[nH+]c[nH]2)c1C#N ZINC001125299565 731913042 /nfs/dbraw/zinc/91/30/42/731913042.db2.gz RDPPKQOARSLNIK-LBPRGKRZSA-N 1 2 348.432 0.545 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)[C@@H](n2ccnn2)C1 ZINC001069981802 790275161 /nfs/dbraw/zinc/27/51/61/790275161.db2.gz ZIEYMUVTKKVUJO-ZOFXXKQRSA-N 1 2 343.431 0.458 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)[C@@H](n2ccnn2)C1 ZINC001069981802 790275163 /nfs/dbraw/zinc/27/51/63/790275163.db2.gz ZIEYMUVTKKVUJO-ZOFXXKQRSA-N 1 2 343.431 0.458 20 30 ECEDLO Cc1nc(N(C)C[C@H](O)CN(C)C(=O)Cc2c[nH+]c[nH]2)ccc1C#N ZINC001125299654 731922680 /nfs/dbraw/zinc/92/26/80/731922680.db2.gz UHYWHPWVGAOAML-HNNXBMFYSA-N 1 2 342.403 0.483 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC000969990125 732596523 /nfs/dbraw/zinc/59/65/23/732596523.db2.gz DARHDHLXHRUDAD-QWRGUYRKSA-N 1 2 339.827 0.735 20 30 ECEDLO C=CCn1cc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2nc(C)no2)nn1 ZINC001025107213 738659823 /nfs/dbraw/zinc/65/98/23/738659823.db2.gz CGXWZHNGDYGYOL-CYBMUJFWSA-N 1 2 345.407 0.940 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001025112016 738669189 /nfs/dbraw/zinc/66/91/89/738669189.db2.gz PTHDYLBLMKUHDE-YCPHGPKFSA-N 1 2 348.451 0.662 20 30 ECEDLO N#CCN1CC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C2)C1 ZINC001041839786 782318502 /nfs/dbraw/zinc/31/85/02/782318502.db2.gz QTZCQWDWOZSZJO-FUHWJXTLSA-N 1 2 332.448 0.545 20 30 ECEDLO C=CCCCN(CC)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000890814626 733124364 /nfs/dbraw/zinc/12/43/64/733124364.db2.gz ZAQVDICQAQFGIX-MRXNPFEDSA-N 1 2 337.464 0.982 20 30 ECEDLO CCO[C@H](C)c1noc(C[NH2+]CCNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001125370327 733178576 /nfs/dbraw/zinc/17/85/76/733178576.db2.gz MEIIGSBFHXQUHI-SNVBAGLBSA-N 1 2 332.364 0.886 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3ccsc3)[C@@H](O)C2)C1=O ZINC001083328391 733351086 /nfs/dbraw/zinc/35/10/86/733351086.db2.gz NMIKJESKVRSCLN-MCIONIFRSA-N 1 2 335.429 0.310 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3ccsc3)[C@@H](O)C2)C1=O ZINC001083328391 733351087 /nfs/dbraw/zinc/35/10/87/733351087.db2.gz NMIKJESKVRSCLN-MCIONIFRSA-N 1 2 335.429 0.310 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H](C)C2C[NH+](Cc3cnnn3CC)C2)nn1 ZINC000970548708 733665806 /nfs/dbraw/zinc/66/58/06/733665806.db2.gz QAJPYIGEYSDTFK-GFCCVEGCSA-N 1 2 344.423 0.326 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+](CC(=O)NC3CC3)C2)nc1 ZINC000970764659 733926967 /nfs/dbraw/zinc/92/69/67/733926967.db2.gz WHDHCZZBNWVOCK-LBPRGKRZSA-N 1 2 326.400 0.392 20 30 ECEDLO CC(C)N(CCN(C)c1ncccc1C#N)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125438755 734070316 /nfs/dbraw/zinc/07/03/16/734070316.db2.gz DMKNOGMQPALILH-INIZCTEOSA-N 1 2 345.447 0.957 20 30 ECEDLO CC(C)N(CCN(C)c1ncccc1C#N)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125438755 734070317 /nfs/dbraw/zinc/07/03/17/734070317.db2.gz DMKNOGMQPALILH-INIZCTEOSA-N 1 2 345.447 0.957 20 30 ECEDLO N#Cc1nccc(N2CCO[C@H](CNC(=O)CCc3[nH]cc[nH+]3)C2)n1 ZINC001104308780 734202381 /nfs/dbraw/zinc/20/23/81/734202381.db2.gz URXDMYHNWZAWKR-GFCCVEGCSA-N 1 2 341.375 0.026 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccnc(C4CC4)n3)[C@H]2C1 ZINC001083211242 734225007 /nfs/dbraw/zinc/22/50/07/734225007.db2.gz PDAHDRGZYBWVOP-JKSUJKDBSA-N 1 2 326.400 0.903 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccnc(C4CC4)n3)[C@H]2C1 ZINC001083211242 734225010 /nfs/dbraw/zinc/22/50/10/734225010.db2.gz PDAHDRGZYBWVOP-JKSUJKDBSA-N 1 2 326.400 0.903 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NC[C@H]1CN(c2ccncc2C#N)CCO1 ZINC001104322296 734300346 /nfs/dbraw/zinc/30/03/46/734300346.db2.gz ZTTNQRDTQRXZOI-HNNXBMFYSA-N 1 2 340.387 0.251 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([N@H+](C)Cc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000971221251 734366649 /nfs/dbraw/zinc/36/66/49/734366649.db2.gz NSQOLROUURBKGR-WDEREUQCSA-N 1 2 343.391 0.261 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([N@@H+](C)Cc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000971221251 734366652 /nfs/dbraw/zinc/36/66/52/734366652.db2.gz NSQOLROUURBKGR-WDEREUQCSA-N 1 2 343.391 0.261 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)CCO1 ZINC001104330655 734371400 /nfs/dbraw/zinc/37/14/00/734371400.db2.gz UGGLQNOQLBSYCO-GOEBONIOSA-N 1 2 346.431 0.762 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C)nc3OC)[C@H]2C1 ZINC001083216572 734487255 /nfs/dbraw/zinc/48/72/55/734487255.db2.gz GZRJSMMCMIHBNO-JKSUJKDBSA-N 1 2 329.400 0.947 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C)nc3OC)[C@H]2C1 ZINC001083216572 734487257 /nfs/dbraw/zinc/48/72/57/734487257.db2.gz GZRJSMMCMIHBNO-JKSUJKDBSA-N 1 2 329.400 0.947 20 30 ECEDLO C=CC[NH2+]CC1(CCNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001167466391 734635022 /nfs/dbraw/zinc/63/50/22/734635022.db2.gz KTTQWDXIVOFZLO-UHFFFAOYSA-N 1 2 330.392 0.133 20 30 ECEDLO Cn1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)n1 ZINC001078175587 782433226 /nfs/dbraw/zinc/43/32/26/782433226.db2.gz BXMTYCSJTZXTLE-HZPDHXFCSA-N 1 2 325.372 0.267 20 30 ECEDLO Cn1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)n1 ZINC001078175587 782433227 /nfs/dbraw/zinc/43/32/27/782433227.db2.gz BXMTYCSJTZXTLE-HZPDHXFCSA-N 1 2 325.372 0.267 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)c1 ZINC000971705514 734966785 /nfs/dbraw/zinc/96/67/85/734966785.db2.gz GAIHNVJZMXURFR-IUODEOHRSA-N 1 2 338.371 0.525 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn4c3CCCC4)[C@H]2C1 ZINC001083241620 735641972 /nfs/dbraw/zinc/64/19/72/735641972.db2.gz QRPFZYTYMCGEDH-DLBZAZTESA-N 1 2 328.416 0.768 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn4c3CCCC4)[C@H]2C1 ZINC001083241620 735641973 /nfs/dbraw/zinc/64/19/73/735641973.db2.gz QRPFZYTYMCGEDH-DLBZAZTESA-N 1 2 328.416 0.768 20 30 ECEDLO Cc1nn(C)cc1C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)C#N)C2)C1 ZINC000972296230 735903551 /nfs/dbraw/zinc/90/35/51/735903551.db2.gz AXEQMEHZYWHXSA-SUMWQHHRSA-N 1 2 331.420 0.692 20 30 ECEDLO Cc1nn(C)cc1C[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)C#N)C2)C1 ZINC000972296230 735903552 /nfs/dbraw/zinc/90/35/52/735903552.db2.gz AXEQMEHZYWHXSA-SUMWQHHRSA-N 1 2 331.420 0.692 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)CCc3cnn[nH]3)C2)C1=O ZINC000972370510 736024898 /nfs/dbraw/zinc/02/48/98/736024898.db2.gz PWUWZZSCCKCMPD-GJZGRUSLSA-N 1 2 346.435 0.057 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)CCc3cnn[nH]3)C2)C1=O ZINC000972370510 736024902 /nfs/dbraw/zinc/02/49/02/736024902.db2.gz PWUWZZSCCKCMPD-GJZGRUSLSA-N 1 2 346.435 0.057 20 30 ECEDLO CC(C)c1ncsc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114939573 736088623 /nfs/dbraw/zinc/08/86/23/736088623.db2.gz KQNFGGUCHBRUNQ-YABSGUDNSA-N 1 2 347.444 0.566 20 30 ECEDLO CC(C)c1ncsc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114939573 736088620 /nfs/dbraw/zinc/08/86/20/736088620.db2.gz KQNFGGUCHBRUNQ-YABSGUDNSA-N 1 2 347.444 0.566 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc4n[nH]nc43)C2)C1 ZINC000972395256 736119649 /nfs/dbraw/zinc/11/96/49/736119649.db2.gz CPTNINCORRZOFU-GOSISDBHSA-N 1 2 339.399 0.898 20 30 ECEDLO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc4n[nH]nc43)C2)C1 ZINC000972395256 736119653 /nfs/dbraw/zinc/11/96/53/736119653.db2.gz CPTNINCORRZOFU-GOSISDBHSA-N 1 2 339.399 0.898 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc4nn[nH]c43)C2)C1 ZINC000972395256 736119656 /nfs/dbraw/zinc/11/96/56/736119656.db2.gz CPTNINCORRZOFU-GOSISDBHSA-N 1 2 339.399 0.898 20 30 ECEDLO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc4nn[nH]c43)C2)C1 ZINC000972395256 736119659 /nfs/dbraw/zinc/11/96/59/736119659.db2.gz CPTNINCORRZOFU-GOSISDBHSA-N 1 2 339.399 0.898 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C4CC4)nn3C)C2)C1 ZINC000972402202 736127690 /nfs/dbraw/zinc/12/76/90/736127690.db2.gz OUQWYJPPHLMGFU-SFHVURJKSA-N 1 2 328.416 0.848 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C4CC4)nn3C)C2)C1 ZINC000972402202 736127691 /nfs/dbraw/zinc/12/76/91/736127691.db2.gz OUQWYJPPHLMGFU-SFHVURJKSA-N 1 2 328.416 0.848 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4ncncc4C3)C2)C1 ZINC000972405157 736129655 /nfs/dbraw/zinc/12/96/55/736129655.db2.gz MGLZPOACOKVXOB-BEFAXECRSA-N 1 2 340.427 0.518 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4ncncc4C3)C2)C1 ZINC000972405157 736129657 /nfs/dbraw/zinc/12/96/57/736129657.db2.gz MGLZPOACOKVXOB-BEFAXECRSA-N 1 2 340.427 0.518 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc4n[nH]nc4c3)C2)C1 ZINC000972414005 736150924 /nfs/dbraw/zinc/15/09/24/736150924.db2.gz RYKRIDBUELDANI-MRXNPFEDSA-N 1 2 328.376 0.456 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc4n[nH]nc4c3)C2)C1 ZINC000972414005 736150927 /nfs/dbraw/zinc/15/09/27/736150927.db2.gz RYKRIDBUELDANI-MRXNPFEDSA-N 1 2 328.376 0.456 20 30 ECEDLO CC#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000972437291 736195125 /nfs/dbraw/zinc/19/51/25/736195125.db2.gz AVBJICXTQFJETI-VQIMIIECSA-N 1 2 342.443 0.772 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 ZINC000972456285 736246411 /nfs/dbraw/zinc/24/64/11/736246411.db2.gz VVQDVQIHGFJFOG-PKOBYXMFSA-N 1 2 326.396 0.927 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 ZINC000972456285 736246413 /nfs/dbraw/zinc/24/64/13/736246413.db2.gz VVQDVQIHGFJFOG-PKOBYXMFSA-N 1 2 326.396 0.927 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(CC)[nH]c(=O)c3)C2)C1 ZINC000972463486 736262227 /nfs/dbraw/zinc/26/22/27/736262227.db2.gz UWNOLOFEYVCTHK-GOSISDBHSA-N 1 2 329.400 0.900 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(CC)[nH]c(=O)c3)C2)C1 ZINC000972463486 736262231 /nfs/dbraw/zinc/26/22/31/736262231.db2.gz UWNOLOFEYVCTHK-GOSISDBHSA-N 1 2 329.400 0.900 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](OC)c3cnn(C)c3)C2)C1 ZINC000972480925 736308855 /nfs/dbraw/zinc/30/88/55/736308855.db2.gz WDCSFUVKYBTOJK-WBVHZDCISA-N 1 2 332.404 0.044 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](OC)c3cnn(C)c3)C2)C1 ZINC000972480925 736308858 /nfs/dbraw/zinc/30/88/58/736308858.db2.gz WDCSFUVKYBTOJK-WBVHZDCISA-N 1 2 332.404 0.044 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCC(=O)N3C)C2)C1 ZINC000972493819 736389866 /nfs/dbraw/zinc/38/98/66/736389866.db2.gz IZFJARPFUVGLQO-CRAIPNDOSA-N 1 2 333.432 0.324 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCC(=O)N3C)C2)C1 ZINC000972493819 736389870 /nfs/dbraw/zinc/38/98/70/736389870.db2.gz IZFJARPFUVGLQO-CRAIPNDOSA-N 1 2 333.432 0.324 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCc4nn[nH]c43)C2)C1 ZINC000972525069 736570811 /nfs/dbraw/zinc/57/08/11/736570811.db2.gz YBETYZBBGWJAFU-KSSFIOAISA-N 1 2 343.431 0.551 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCc4nn[nH]c43)C2)C1 ZINC000972525069 736570812 /nfs/dbraw/zinc/57/08/12/736570812.db2.gz YBETYZBBGWJAFU-KSSFIOAISA-N 1 2 343.431 0.551 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)[nH]3)C2)C1 ZINC000972553463 736723466 /nfs/dbraw/zinc/72/34/66/736723466.db2.gz FWPNEWWRKYIGIN-KRWDZBQOSA-N 1 2 330.388 0.054 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)[nH]3)C2)C1 ZINC000972553463 736723468 /nfs/dbraw/zinc/72/34/68/736723468.db2.gz FWPNEWWRKYIGIN-KRWDZBQOSA-N 1 2 330.388 0.054 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)c[nH]c3CC(N)=O)C2)C1 ZINC000972572724 736887654 /nfs/dbraw/zinc/88/76/54/736887654.db2.gz SHIUVEBKDPDCLA-SFHVURJKSA-N 1 2 346.431 0.454 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)c[nH]c3CC(N)=O)C2)C1 ZINC000972572724 736887655 /nfs/dbraw/zinc/88/76/55/736887655.db2.gz SHIUVEBKDPDCLA-SFHVURJKSA-N 1 2 346.431 0.454 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC(=O)N(CCC)C3)C2)C1 ZINC000972574222 736889767 /nfs/dbraw/zinc/88/97/67/736889767.db2.gz XGRYZPDNEJJABT-MAUKXSAKSA-N 1 2 335.448 0.734 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC(=O)N(CCC)C3)C2)C1 ZINC000972574222 736889769 /nfs/dbraw/zinc/88/97/69/736889769.db2.gz XGRYZPDNEJJABT-MAUKXSAKSA-N 1 2 335.448 0.734 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCn3cnccc3=O)C2)C1 ZINC000972618384 737109344 /nfs/dbraw/zinc/10/93/44/737109344.db2.gz YBOKIVPJMJMYFH-QGZVFWFLSA-N 1 2 332.404 0.123 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)CCn3cnccc3=O)C2)C1 ZINC000972618384 737109348 /nfs/dbraw/zinc/10/93/48/737109348.db2.gz YBOKIVPJMJMYFH-QGZVFWFLSA-N 1 2 332.404 0.123 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)c3cnn(C)c3)C2)C1 ZINC000972622187 737127797 /nfs/dbraw/zinc/12/77/97/737127797.db2.gz SDRUBVZJSDLLCC-SFHVURJKSA-N 1 2 330.432 0.634 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)c3cnn(C)c3)C2)C1 ZINC000972622187 737127799 /nfs/dbraw/zinc/12/77/99/737127799.db2.gz SDRUBVZJSDLLCC-SFHVURJKSA-N 1 2 330.432 0.634 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)C2)C1 ZINC000972629839 737161570 /nfs/dbraw/zinc/16/15/70/737161570.db2.gz DMHFVHRLELLQBW-CRAIPNDOSA-N 1 2 335.448 0.734 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)C2)C1 ZINC000972629839 737161572 /nfs/dbraw/zinc/16/15/72/737161572.db2.gz DMHFVHRLELLQBW-CRAIPNDOSA-N 1 2 335.448 0.734 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CC[C@H](C)C3)C2)C1 ZINC000972632448 737172070 /nfs/dbraw/zinc/17/20/70/737172070.db2.gz SGFIOIQXLNVAGP-YJBOKZPZSA-N 1 2 333.432 0.181 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CC[C@H](C)C3)C2)C1 ZINC000972632448 737172073 /nfs/dbraw/zinc/17/20/73/737172073.db2.gz SGFIOIQXLNVAGP-YJBOKZPZSA-N 1 2 333.432 0.181 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cn(C)nn3)C2)nc1 ZINC001023709668 737228488 /nfs/dbraw/zinc/22/84/88/737228488.db2.gz YJMJYIAPKDRPMB-HNNXBMFYSA-N 1 2 338.415 0.833 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cn(C)nn3)C2)nc1 ZINC001023709668 737228489 /nfs/dbraw/zinc/22/84/89/737228489.db2.gz YJMJYIAPKDRPMB-HNNXBMFYSA-N 1 2 338.415 0.833 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 ZINC000972659565 737270774 /nfs/dbraw/zinc/27/07/74/737270774.db2.gz NXSMFICVJWTSEO-PKOBYXMFSA-N 1 2 342.395 0.763 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 ZINC000972659565 737270775 /nfs/dbraw/zinc/27/07/75/737270775.db2.gz NXSMFICVJWTSEO-PKOBYXMFSA-N 1 2 342.395 0.763 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(=O)Nc3cc(C)on3)C2)C1 ZINC000972676191 737349729 /nfs/dbraw/zinc/34/97/29/737349729.db2.gz FCFUADIEHHBGDV-QGZVFWFLSA-N 1 2 346.387 0.248 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(=O)Nc3cc(C)on3)C2)C1 ZINC000972676191 737349731 /nfs/dbraw/zinc/34/97/31/737349731.db2.gz FCFUADIEHHBGDV-QGZVFWFLSA-N 1 2 346.387 0.248 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C2)C1 ZINC000972676955 737356516 /nfs/dbraw/zinc/35/65/16/737356516.db2.gz NAXFSMRWISGTEP-GOSISDBHSA-N 1 2 344.415 0.278 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C2)C1 ZINC000972676955 737356522 /nfs/dbraw/zinc/35/65/22/737356522.db2.gz NAXFSMRWISGTEP-GOSISDBHSA-N 1 2 344.415 0.278 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(=O)n(CCC)n3)C2)C1 ZINC000972678668 737359286 /nfs/dbraw/zinc/35/92/86/737359286.db2.gz XGQPLHARMRJNJG-SFHVURJKSA-N 1 2 344.415 0.203 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(=O)n(CCC)n3)C2)C1 ZINC000972678668 737359291 /nfs/dbraw/zinc/35/92/91/737359291.db2.gz XGQPLHARMRJNJG-SFHVURJKSA-N 1 2 344.415 0.203 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nncn4C3)C2)C1 ZINC000972687538 737377400 /nfs/dbraw/zinc/37/74/00/737377400.db2.gz HPZMHAZREONURC-RHSMWYFYSA-N 1 2 331.420 0.330 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nncn4C3)C2)C1 ZINC000972687538 737377407 /nfs/dbraw/zinc/37/74/07/737377407.db2.gz HPZMHAZREONURC-RHSMWYFYSA-N 1 2 331.420 0.330 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)nc3)C2)C1 ZINC000972699707 737441998 /nfs/dbraw/zinc/44/19/98/737441998.db2.gz LKOMQTOABOIONB-GOSISDBHSA-N 1 2 342.399 0.121 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)nc3)C2)C1 ZINC000972699707 737442003 /nfs/dbraw/zinc/44/20/03/737442003.db2.gz LKOMQTOABOIONB-GOSISDBHSA-N 1 2 342.399 0.121 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)nc3)C2)C1 ZINC000972700397 737458057 /nfs/dbraw/zinc/45/80/57/737458057.db2.gz XLMZEYRGRSEDRV-QGZVFWFLSA-N 1 2 330.388 0.283 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)nc3)C2)C1 ZINC000972700397 737458059 /nfs/dbraw/zinc/45/80/59/737458059.db2.gz XLMZEYRGRSEDRV-QGZVFWFLSA-N 1 2 330.388 0.283 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3cnn(C)c3)C2)C1 ZINC000972701599 737471715 /nfs/dbraw/zinc/47/17/15/737471715.db2.gz DFYWLTRLEXPEBL-MAUKXSAKSA-N 1 2 330.432 0.850 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3cnn(C)c3)C2)C1 ZINC000972701599 737471716 /nfs/dbraw/zinc/47/17/16/737471716.db2.gz DFYWLTRLEXPEBL-MAUKXSAKSA-N 1 2 330.432 0.850 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(CCC)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069993998 790289267 /nfs/dbraw/zinc/28/92/67/790289267.db2.gz ZRVJQJDKVKIYNZ-CVEARBPZSA-N 1 2 341.419 0.632 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(CCC)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069993998 790289273 /nfs/dbraw/zinc/28/92/73/790289273.db2.gz ZRVJQJDKVKIYNZ-CVEARBPZSA-N 1 2 341.419 0.632 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)/C=C(/C)C2CC2)C[C@H]1O ZINC001024357529 737920032 /nfs/dbraw/zinc/92/00/32/737920032.db2.gz RVGDQGVCWQKYRB-BSIWFAQVSA-N 1 2 345.443 0.128 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)/C=C(/C)C2CC2)C[C@H]1O ZINC001024357529 737920037 /nfs/dbraw/zinc/92/00/37/737920037.db2.gz RVGDQGVCWQKYRB-BSIWFAQVSA-N 1 2 345.443 0.128 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(C)CC(=C)C2)C[C@H]1O ZINC001024358705 737920764 /nfs/dbraw/zinc/92/07/64/737920764.db2.gz QVXTUGAYORTRLG-OWCLPIDISA-N 1 2 345.443 0.128 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(C)CC(=C)C2)C[C@H]1O ZINC001024358705 737920767 /nfs/dbraw/zinc/92/07/67/737920767.db2.gz QVXTUGAYORTRLG-OWCLPIDISA-N 1 2 345.443 0.128 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cncn2C)nn1 ZINC001024700292 738230022 /nfs/dbraw/zinc/23/00/22/738230022.db2.gz XGFJAXUQYYOFSX-AWEZNQCLSA-N 1 2 343.435 0.982 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cncn2C)nn1 ZINC001024700292 738230025 /nfs/dbraw/zinc/23/00/25/738230025.db2.gz XGFJAXUQYYOFSX-AWEZNQCLSA-N 1 2 343.435 0.982 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)Cc3c(C)n[nH]c3C)[C@H]2C1 ZINC001083279649 739091826 /nfs/dbraw/zinc/09/18/26/739091826.db2.gz JIMDICJCKNPOHA-AFAVFJNCSA-N 1 2 330.432 0.750 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)Cc3c(C)n[nH]c3C)[C@H]2C1 ZINC001083279649 739091828 /nfs/dbraw/zinc/09/18/28/739091828.db2.gz JIMDICJCKNPOHA-AFAVFJNCSA-N 1 2 330.432 0.750 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cn1 ZINC000973411445 739225257 /nfs/dbraw/zinc/22/52/57/739225257.db2.gz VOBCJDCPRNIWPN-KLHDSHLOSA-N 1 2 349.394 0.967 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cn1 ZINC000973411445 739225263 /nfs/dbraw/zinc/22/52/63/739225263.db2.gz VOBCJDCPRNIWPN-KLHDSHLOSA-N 1 2 349.394 0.967 20 30 ECEDLO C[C@H](NC(=O)c1c[nH]c(C#N)c1)[C@@H]1CCC[N@H+](Cc2nnnn2C)C1 ZINC001025389935 739353285 /nfs/dbraw/zinc/35/32/85/739353285.db2.gz GRQNGSUPSNFFSK-NWDGAFQWSA-N 1 2 342.407 0.440 20 30 ECEDLO C[C@H](NC(=O)c1c[nH]c(C#N)c1)[C@@H]1CCC[N@@H+](Cc2nnnn2C)C1 ZINC001025389935 739353293 /nfs/dbraw/zinc/35/32/93/739353293.db2.gz GRQNGSUPSNFFSK-NWDGAFQWSA-N 1 2 342.407 0.440 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H](C)C2CN(C(=O)Cn3cc[nH+]c3)C2)nc1 ZINC001006535834 751491538 /nfs/dbraw/zinc/49/15/38/751491538.db2.gz VFNMTYHMGPKXAB-ZDUSSCGKSA-N 1 2 337.383 0.536 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2ncccc2F)[C@@H](n2ccnn2)C1 ZINC001070008169 790310796 /nfs/dbraw/zinc/31/07/96/790310796.db2.gz UZMNVGQFUXVZKG-CABCVRRESA-N 1 2 328.351 0.030 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2ncccc2F)[C@@H](n2ccnn2)C1 ZINC001070008169 790310807 /nfs/dbraw/zinc/31/08/07/790310807.db2.gz UZMNVGQFUXVZKG-CABCVRRESA-N 1 2 328.351 0.030 20 30 ECEDLO C[C@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001104813915 740570077 /nfs/dbraw/zinc/57/00/77/740570077.db2.gz BZAOJZGYLIPPGI-JHJVBQTASA-N 1 2 339.403 0.566 20 30 ECEDLO C[C@@H](CNc1nccnc1C#N)N(C)C(=O)CCc1[nH+]ccn1C ZINC001104892235 740832123 /nfs/dbraw/zinc/83/21/23/740832123.db2.gz JYAUAKUAIDMCII-LBPRGKRZSA-N 1 2 327.392 0.973 20 30 ECEDLO C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)CCc1[nH+]ccn1C ZINC001104892733 740833376 /nfs/dbraw/zinc/83/33/76/740833376.db2.gz RLNGNXWVPIQSSR-GFCCVEGCSA-N 1 2 327.392 0.973 20 30 ECEDLO C#CCNC(=O)CC(=O)N[C@@H](CNc1cc[nH+]c(C)n1)CC(C)C ZINC001104928101 740958018 /nfs/dbraw/zinc/95/80/18/740958018.db2.gz HSHAXMNTUJPAFG-CQSZACIVSA-N 1 2 331.420 0.867 20 30 ECEDLO N#CCN[C@@H]1CC[C@@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@H]12 ZINC001026367121 741071112 /nfs/dbraw/zinc/07/11/12/741071112.db2.gz CTOUBWAGSIJKCB-IXDOHACOSA-N 1 2 346.475 0.982 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[N@@H+]([C@@H](C)C(=O)NC)CC2)nn1 ZINC000982143080 751640066 /nfs/dbraw/zinc/64/00/66/751640066.db2.gz OFZMSTBLPGNOKF-ZDUSSCGKSA-N 1 2 334.424 0.137 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[N@H+]([C@@H](C)C(=O)NC)CC2)nn1 ZINC000982143080 751640068 /nfs/dbraw/zinc/64/00/68/751640068.db2.gz OFZMSTBLPGNOKF-ZDUSSCGKSA-N 1 2 334.424 0.137 20 30 ECEDLO C#CCCCC(=O)N1CC(n2cc(C[NH2+][C@H](C)C(=O)N(C)C)nn2)C1 ZINC001105225679 741507281 /nfs/dbraw/zinc/50/72/81/741507281.db2.gz YRGVJKXRZAWXCF-CYBMUJFWSA-N 1 2 346.435 0.031 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)/C=C(\C)CC)C2)nn1 ZINC001105235337 741526292 /nfs/dbraw/zinc/52/62/92/741526292.db2.gz AKJWJCYQVSOOPP-NTUHNPAUSA-N 1 2 346.435 0.410 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCOCC(F)F)C2)nn1 ZINC001105240521 741532395 /nfs/dbraw/zinc/53/23/95/741532395.db2.gz QCEFQBMGQORLEI-UHFFFAOYSA-N 1 2 327.335 0.056 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCOCC3CC3)C2)nn1 ZINC001105240567 741533424 /nfs/dbraw/zinc/53/34/24/741533424.db2.gz RUKYOCHDJNJMGO-UHFFFAOYSA-N 1 2 331.420 0.591 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)C3(C)CC3)C2)nn1 ZINC001105246957 741547560 /nfs/dbraw/zinc/54/75/60/741547560.db2.gz KAMGIOSVNMDYOY-LBPRGKRZSA-N 1 2 346.435 0.242 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccnn3CCC)C2)nn1 ZINC001105248886 741551575 /nfs/dbraw/zinc/55/15/75/741551575.db2.gz CTZQYLHBFOFXBM-UHFFFAOYSA-N 1 2 327.392 0.305 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C3(F)CCOCC3)C2)nn1 ZINC001105253736 741566919 /nfs/dbraw/zinc/56/69/19/741566919.db2.gz BTADRFQPLVSSJB-UHFFFAOYSA-N 1 2 335.383 0.293 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc4n(n3)CCCC4)C2)nn1 ZINC001105268599 741611350 /nfs/dbraw/zinc/61/13/50/741611350.db2.gz USEYXCMVYMDHHH-UHFFFAOYSA-N 1 2 339.403 0.231 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cn3cc(C4CC4)cn3)C2)nn1 ZINC001105275474 741621764 /nfs/dbraw/zinc/62/17/64/741621764.db2.gz REEZJKJTHJKWNN-UHFFFAOYSA-N 1 2 339.403 0.158 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ncn4ccc(C)cc34)C2)nn1 ZINC001105275612 741621975 /nfs/dbraw/zinc/62/19/75/741621975.db2.gz WGERHVYBOFFTIM-UHFFFAOYSA-N 1 2 349.398 0.654 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cn4ccc(C)cc4n3)C2)nn1 ZINC001105278552 741633567 /nfs/dbraw/zinc/63/35/67/741633567.db2.gz JPLUFGDCLIKBOK-UHFFFAOYSA-N 1 2 349.398 0.654 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3onc4c3CCCC4)C2)nn1 ZINC001105283901 741642315 /nfs/dbraw/zinc/64/23/15/741642315.db2.gz YHYJFNOWAPEGBE-UHFFFAOYSA-N 1 2 340.387 0.565 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H](C)c3cnn(C)c3)C2)nn1 ZINC001105292506 741657029 /nfs/dbraw/zinc/65/70/29/741657029.db2.gz SCEIHSZNWWAMKM-CYBMUJFWSA-N 1 2 341.419 0.312 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(n2cc(C[NH2+]CC(=O)N(C)C)nn2)C1 ZINC001105297953 741676640 /nfs/dbraw/zinc/67/66/40/741676640.db2.gz YZOZUZMSGTZZCB-UHFFFAOYSA-N 1 2 334.424 0.051 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)[C@@H]3CCCO3)C2)nn1 ZINC001105322662 741782124 /nfs/dbraw/zinc/78/21/24/741782124.db2.gz ZDBMMHKMAZGUSY-BBRMVZONSA-N 1 2 331.420 0.589 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000974578407 741910971 /nfs/dbraw/zinc/91/09/71/741910971.db2.gz ZQUYVLTYFDUZCC-JHJVBQTASA-N 1 2 329.404 0.906 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC(n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001105334773 742109822 /nfs/dbraw/zinc/10/98/22/742109822.db2.gz NFOURGVIXCSUAQ-UHFFFAOYSA-N 1 2 334.424 0.099 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)CC1(C)C ZINC000975066433 742470243 /nfs/dbraw/zinc/47/02/43/742470243.db2.gz SAIXHNQKQBFZKF-AGIUHOORSA-N 1 2 349.435 0.026 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)CC1(C)C ZINC000975066433 742470247 /nfs/dbraw/zinc/47/02/47/742470247.db2.gz SAIXHNQKQBFZKF-AGIUHOORSA-N 1 2 349.435 0.026 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)[nH]1 ZINC000975227392 742622041 /nfs/dbraw/zinc/62/20/41/742622041.db2.gz FDBTXURZOSDKMI-GFCCVEGCSA-N 1 2 340.387 0.821 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)c1 ZINC000975428899 742862884 /nfs/dbraw/zinc/86/28/84/742862884.db2.gz YFAQUSHUEMYDQB-RHSMWYFYSA-N 1 2 349.394 0.702 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](Cc3cn(CC)nn3)C2)nc1 ZINC001028939806 742936795 /nfs/dbraw/zinc/93/67/95/742936795.db2.gz TWPIADQDCZXFOI-OAHLLOKOSA-N 1 2 338.415 0.926 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](Cc3cn(CC)nn3)C2)nc1 ZINC001028939806 742936797 /nfs/dbraw/zinc/93/67/97/742936797.db2.gz TWPIADQDCZXFOI-OAHLLOKOSA-N 1 2 338.415 0.926 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000975554812 743068398 /nfs/dbraw/zinc/06/83/98/743068398.db2.gz LQOBQVKITVJQAJ-OAGGEKHMSA-N 1 2 346.431 0.829 20 30 ECEDLO C#CC[NH2+][C@H]1CN(C(=O)CCc2nc[nH]n2)CC[C@H]1C(F)(F)F ZINC000998257707 744081896 /nfs/dbraw/zinc/08/18/96/744081896.db2.gz PWDNVVZRCMZHCT-MNOVXSKESA-N 1 2 329.326 0.740 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC000977216516 744795885 /nfs/dbraw/zinc/79/58/85/744795885.db2.gz COLXIRIYGRJIAV-KDEOKCCVSA-N 1 2 344.415 0.437 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3cnon3)C(C)(C)C2)C1=O ZINC000977376237 744902401 /nfs/dbraw/zinc/90/24/01/744902401.db2.gz AJAQUPPGNGSRBS-QWHCGFSZSA-N 1 2 333.392 0.297 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3cnon3)C(C)(C)C2)C1=O ZINC000977376237 744902403 /nfs/dbraw/zinc/90/24/03/744902403.db2.gz AJAQUPPGNGSRBS-QWHCGFSZSA-N 1 2 333.392 0.297 20 30 ECEDLO C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C(C)(C)C1 ZINC000977364696 744906320 /nfs/dbraw/zinc/90/63/20/744906320.db2.gz QCZXBNQLYRWINM-CYBMUJFWSA-N 1 2 344.419 0.474 20 30 ECEDLO C=CCC[N@H+]1C[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C(C)(C)C1 ZINC000977364696 744906321 /nfs/dbraw/zinc/90/63/21/744906321.db2.gz QCZXBNQLYRWINM-CYBMUJFWSA-N 1 2 344.419 0.474 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]1CN(C)C(=O)c1ccc(C#N)[nH]1 ZINC000977609546 745265348 /nfs/dbraw/zinc/26/53/48/745265348.db2.gz YRKYZAYQOQJGPA-CYBMUJFWSA-N 1 2 340.387 0.834 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)nn1 ZINC001075776377 745269262 /nfs/dbraw/zinc/26/92/62/745269262.db2.gz KWMOOHSIGKSDJN-GOEBONIOSA-N 1 2 326.400 0.931 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)nn1 ZINC001075776377 745269268 /nfs/dbraw/zinc/26/92/68/745269268.db2.gz KWMOOHSIGKSDJN-GOEBONIOSA-N 1 2 326.400 0.931 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cn1cc[nH+]c1 ZINC000977806857 745526753 /nfs/dbraw/zinc/52/67/53/745526753.db2.gz SHBSGFVQDUSBIC-ZOBUZTSGSA-N 1 2 346.431 0.924 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3cn(C)nn3)C2)c1 ZINC001027569039 745608231 /nfs/dbraw/zinc/60/82/31/745608231.db2.gz YHJCYUAUDADLAI-QGZVFWFLSA-N 1 2 338.415 0.928 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3cn(C)nn3)C2)c1 ZINC001027569039 745608233 /nfs/dbraw/zinc/60/82/33/745608233.db2.gz YHJCYUAUDADLAI-QGZVFWFLSA-N 1 2 338.415 0.928 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001029302581 745632979 /nfs/dbraw/zinc/63/29/79/745632979.db2.gz KCPLNQQZHVFRIE-HRCADAONSA-N 1 2 336.457 0.510 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001029302581 745632982 /nfs/dbraw/zinc/63/29/82/745632982.db2.gz KCPLNQQZHVFRIE-HRCADAONSA-N 1 2 336.457 0.510 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)C(=O)C(C)(C)C ZINC000977928188 745682625 /nfs/dbraw/zinc/68/26/25/745682625.db2.gz MUJCTUDONPCLLY-GJZGRUSLSA-N 1 2 347.459 0.759 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)C(=O)C(C)(C)C ZINC000977928188 745682629 /nfs/dbraw/zinc/68/26/29/745682629.db2.gz MUJCTUDONPCLLY-GJZGRUSLSA-N 1 2 347.459 0.759 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087534867 745816667 /nfs/dbraw/zinc/81/66/67/745816667.db2.gz MHUDDYMJXDSZSZ-WCQYABFASA-N 1 2 343.391 0.091 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001087534867 745816671 /nfs/dbraw/zinc/81/66/71/745816671.db2.gz MHUDDYMJXDSZSZ-WCQYABFASA-N 1 2 343.391 0.091 20 30 ECEDLO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC000982353404 752035744 /nfs/dbraw/zinc/03/57/44/752035744.db2.gz SRHMOQGPBYGFTR-OIISXLGYSA-N 1 2 338.473 0.615 20 30 ECEDLO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC000982353404 752035747 /nfs/dbraw/zinc/03/57/47/752035747.db2.gz SRHMOQGPBYGFTR-OIISXLGYSA-N 1 2 338.473 0.615 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2nc(=O)n(C)[nH]2)C1 ZINC001027584503 745851323 /nfs/dbraw/zinc/85/13/23/745851323.db2.gz NOUSKMMVZBKMOQ-MCIONIFRSA-N 1 2 349.435 0.122 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C3)c1 ZINC001000885827 745862471 /nfs/dbraw/zinc/86/24/71/745862471.db2.gz JPQSZUGHXUMPQV-IPYPFGDCSA-N 1 2 338.371 0.714 20 30 ECEDLO N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)cn1 ZINC001059331142 745969819 /nfs/dbraw/zinc/96/98/19/745969819.db2.gz DWDOEBVEWPXONA-AVGNSLFASA-N 1 2 337.387 0.866 20 30 ECEDLO C=CCn1cccc1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cnn(C)n3)C[C@H]21 ZINC000978263490 746109216 /nfs/dbraw/zinc/10/92/16/746109216.db2.gz CZBIAGQWTBNXRI-PHZGNYQRSA-N 1 2 340.431 0.910 20 30 ECEDLO C=CCn1cccc1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cnn(C)n3)C[C@H]21 ZINC000978263490 746109220 /nfs/dbraw/zinc/10/92/20/746109220.db2.gz CZBIAGQWTBNXRI-PHZGNYQRSA-N 1 2 340.431 0.910 20 30 ECEDLO CC#CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)[C@H]1CC ZINC001087646279 746142661 /nfs/dbraw/zinc/14/26/61/746142661.db2.gz VQLVKAWKBGUOJU-QLFBSQMISA-N 1 2 326.462 0.804 20 30 ECEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)[C@H]1CC ZINC001087646279 746142663 /nfs/dbraw/zinc/14/26/63/746142663.db2.gz VQLVKAWKBGUOJU-QLFBSQMISA-N 1 2 326.462 0.804 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001001343417 746293377 /nfs/dbraw/zinc/29/33/77/746293377.db2.gz WVJVDRWMXYLUNC-UHFFFAOYSA-N 1 2 326.360 0.349 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCS(C)(=O)=O)[C@@H]2CC)nc1 ZINC001087800153 746361321 /nfs/dbraw/zinc/36/13/21/746361321.db2.gz GAULMVHYVYDJJG-GOEBONIOSA-N 1 2 349.456 0.690 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCS(C)(=O)=O)[C@@H]2CC)nc1 ZINC001087800153 746361326 /nfs/dbraw/zinc/36/13/26/746361326.db2.gz GAULMVHYVYDJJG-GOEBONIOSA-N 1 2 349.456 0.690 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)Cc3cn(C)nn3)C2)nc1 ZINC001027656060 746594225 /nfs/dbraw/zinc/59/42/25/746594225.db2.gz JNQBKEBZTMAQSL-INIZCTEOSA-N 1 2 338.415 0.928 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)Cc3cn(C)nn3)C2)nc1 ZINC001027656060 746594227 /nfs/dbraw/zinc/59/42/27/746594227.db2.gz JNQBKEBZTMAQSL-INIZCTEOSA-N 1 2 338.415 0.928 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000984566553 746637113 /nfs/dbraw/zinc/63/71/13/746637113.db2.gz JJZYTTAOBCVKCC-CYBMUJFWSA-N 1 2 340.387 0.915 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnnn3C3CC3)CC[C@@H]2C1 ZINC001087910854 746643316 /nfs/dbraw/zinc/64/33/16/746643316.db2.gz BEXJUTSBQBZOEG-UPJWGTAASA-N 1 2 329.408 0.448 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3nnnn3C3CC3)CC[C@@H]2C1 ZINC001087910854 746643319 /nfs/dbraw/zinc/64/33/19/746643319.db2.gz BEXJUTSBQBZOEG-UPJWGTAASA-N 1 2 329.408 0.448 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)OC)[C@H](OC)C1 ZINC001211957563 752112279 /nfs/dbraw/zinc/11/22/79/752112279.db2.gz WJJUDGZMWGZISR-RBSFLKMASA-N 1 2 341.452 0.261 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)OC)[C@H](OC)C1 ZINC001211957563 752112286 /nfs/dbraw/zinc/11/22/86/752112286.db2.gz WJJUDGZMWGZISR-RBSFLKMASA-N 1 2 341.452 0.261 20 30 ECEDLO Cn1ncnc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1 ZINC001087939088 746688969 /nfs/dbraw/zinc/68/89/69/746688969.db2.gz YRQRBTZBMZNQKH-OLZOCXBDSA-N 1 2 339.403 0.609 20 30 ECEDLO Cn1ncnc1C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1 ZINC001087939088 746688972 /nfs/dbraw/zinc/68/89/72/746688972.db2.gz YRQRBTZBMZNQKH-OLZOCXBDSA-N 1 2 339.403 0.609 20 30 ECEDLO CCn1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)n1 ZINC001087962396 746750122 /nfs/dbraw/zinc/75/01/22/746750122.db2.gz NYKQGNBFQPILSC-CVEARBPZSA-N 1 2 327.432 0.992 20 30 ECEDLO CCn1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)n1 ZINC001087962396 746750124 /nfs/dbraw/zinc/75/01/24/746750124.db2.gz NYKQGNBFQPILSC-CVEARBPZSA-N 1 2 327.432 0.992 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001002219888 747096444 /nfs/dbraw/zinc/09/64/44/747096444.db2.gz SRRMXCXSWOHVFE-ZBFHGGJFSA-N 1 2 346.431 0.816 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC000979078415 747130556 /nfs/dbraw/zinc/13/05/56/747130556.db2.gz WIQCKQVOHVHCBU-AKAXFMLLSA-N 1 2 337.383 0.584 20 30 ECEDLO C[C@@H]([NH2+]Cc1csnn1)[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979300083 747543094 /nfs/dbraw/zinc/54/30/94/747543094.db2.gz ZOZJMANFIZDAPE-YGRLFVJLSA-N 1 2 346.416 0.757 20 30 ECEDLO C=C1CCC(C(=O)N2CC[C@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)CC1 ZINC001098723156 747714268 /nfs/dbraw/zinc/71/42/68/747714268.db2.gz VBISDBIUFFFNQW-HNNXBMFYSA-N 1 2 346.435 0.373 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000979636967 748146199 /nfs/dbraw/zinc/14/61/99/748146199.db2.gz ZGMXVTCQEHIOAU-UMSPYCQHSA-N 1 2 326.360 0.477 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](CC)OCC)C2)nn1 ZINC001098630595 748548298 /nfs/dbraw/zinc/54/82/98/748548298.db2.gz TYYCJNHAUKSXMM-JKSUJKDBSA-N 1 2 333.436 0.980 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3nncn3C)C2)c1 ZINC001029835539 748669259 /nfs/dbraw/zinc/66/92/59/748669259.db2.gz SVHGTUUYDRVHSP-OAHLLOKOSA-N 1 2 338.415 0.786 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H](C[N@H+](C)Cc3nncn3C)C2)c1 ZINC001029835539 748669262 /nfs/dbraw/zinc/66/92/62/748669262.db2.gz SVHGTUUYDRVHSP-OAHLLOKOSA-N 1 2 338.415 0.786 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001027861045 748796777 /nfs/dbraw/zinc/79/67/77/748796777.db2.gz PXOGSYGAPLDNCT-HUUCEWRRSA-N 1 2 346.362 0.886 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001027861045 748796779 /nfs/dbraw/zinc/79/67/79/748796779.db2.gz PXOGSYGAPLDNCT-HUUCEWRRSA-N 1 2 346.362 0.886 20 30 ECEDLO C=CCCOCC(=O)N(C)CCN(C)c1[nH+]cnc2c1cnn2C ZINC001105421934 748945785 /nfs/dbraw/zinc/94/57/85/748945785.db2.gz ICYKIIRVLNVTRP-UHFFFAOYSA-N 1 2 332.408 0.851 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001059644089 749076127 /nfs/dbraw/zinc/07/61/27/749076127.db2.gz JWXHMGHNINWYLL-OAHLLOKOSA-N 1 2 346.431 0.737 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001059645869 749091378 /nfs/dbraw/zinc/09/13/78/749091378.db2.gz JHABHEPDYQFSLK-GJZGRUSLSA-N 1 2 346.431 0.735 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000985823751 749180949 /nfs/dbraw/zinc/18/09/49/749180949.db2.gz WWFOMQCRSIWCSI-OAHLLOKOSA-N 1 2 336.436 0.233 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccn(C)n3)CC2)CC1 ZINC000985830502 749198488 /nfs/dbraw/zinc/19/84/88/749198488.db2.gz BEYUJPMTUCHSIH-UHFFFAOYSA-N 1 2 346.435 0.102 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccc4nc[nH]c43)C2)nn1 ZINC001105346247 749433580 /nfs/dbraw/zinc/43/35/80/749433580.db2.gz XSOOPTGUIVWEJH-UHFFFAOYSA-N 1 2 335.371 0.574 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3nnnn3C)C2)nc1 ZINC001029889920 749448532 /nfs/dbraw/zinc/44/85/32/749448532.db2.gz SGNZEDTYIWVIJQ-CQSZACIVSA-N 1 2 339.403 0.181 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)Cc3nnnn3C)C2)nc1 ZINC001029889920 749448534 /nfs/dbraw/zinc/44/85/34/749448534.db2.gz SGNZEDTYIWVIJQ-CQSZACIVSA-N 1 2 339.403 0.181 20 30 ECEDLO COCc1noc(C[NH2+][C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C)n1 ZINC000986134598 749606309 /nfs/dbraw/zinc/60/63/09/749606309.db2.gz ONDPZHDPAIVKLY-JQWIXIFHSA-N 1 2 344.375 0.809 20 30 ECEDLO COCc1noc(C[NH2+][C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C)n1 ZINC000986174512 749630954 /nfs/dbraw/zinc/63/09/54/749630954.db2.gz JPKLWEBRMVSRRA-MFKMUULPSA-N 1 2 344.375 0.809 20 30 ECEDLO C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001004666803 749742356 /nfs/dbraw/zinc/74/23/56/749742356.db2.gz AZURQIXGFZGQCJ-BXUZGUMPSA-N 1 2 340.387 0.819 20 30 ECEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([NH2+]Cc2nnn(C)n2)[C@@H]1C ZINC000986362367 749823783 /nfs/dbraw/zinc/82/37/83/749823783.db2.gz FRJYGFFDFVGZFO-QWHCGFSZSA-N 1 2 329.408 0.590 20 30 ECEDLO C[C@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCCCN1C(=O)c1c[nH]c(C#N)c1 ZINC001004808215 749892921 /nfs/dbraw/zinc/89/29/21/749892921.db2.gz JQDFQMMHPHPQGU-FZMZJTMJSA-N 1 2 342.407 0.583 20 30 ECEDLO O=C([C@H]1CCC(=O)N1)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000980838518 750256900 /nfs/dbraw/zinc/25/69/00/750256900.db2.gz RPVXUCFBEJNEIK-QGZVFWFLSA-N 1 2 343.402 0.990 20 30 ECEDLO O=C([C@H]1CCC(=O)N1)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000980838518 750256906 /nfs/dbraw/zinc/25/69/06/750256906.db2.gz RPVXUCFBEJNEIK-QGZVFWFLSA-N 1 2 343.402 0.990 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C3(CC)CCOCC3)C2)nn1 ZINC001105352252 750466898 /nfs/dbraw/zinc/46/68/98/750466898.db2.gz SLFVWGDGZSCYQA-UHFFFAOYSA-N 1 2 331.420 0.591 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001058875806 750521551 /nfs/dbraw/zinc/52/15/51/750521551.db2.gz XPPYBEWPBFDUKF-NSHDSACASA-N 1 2 336.359 0.890 20 30 ECEDLO COCCN(CCNC(=O)CCc1[nH]cc[nH+]1)c1ccc(C#N)nc1 ZINC001126308135 750524861 /nfs/dbraw/zinc/52/48/61/750524861.db2.gz JRLWIALUJGERCQ-UHFFFAOYSA-N 1 2 342.403 0.878 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nc(C)no3)[C@@H]2C)nn1 ZINC000987133947 750529495 /nfs/dbraw/zinc/52/94/95/750529495.db2.gz MGMTVTZHJNFKKF-JQWIXIFHSA-N 1 2 331.380 0.548 20 30 ECEDLO Cn1nnc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2F)n1 ZINC001028078097 750553470 /nfs/dbraw/zinc/55/34/70/750553470.db2.gz CIOLVRSOQYCCBK-CYBMUJFWSA-N 1 2 343.366 0.615 20 30 ECEDLO Cn1nnc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)n1 ZINC001028078097 750553474 /nfs/dbraw/zinc/55/34/74/750553474.db2.gz CIOLVRSOQYCCBK-CYBMUJFWSA-N 1 2 343.366 0.615 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)CCC3(C)CC3)C2)nn1 ZINC001105356486 750558469 /nfs/dbraw/zinc/55/84/69/750558469.db2.gz UVCSEOACCQRJML-UHFFFAOYSA-N 1 2 345.447 0.981 20 30 ECEDLO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001005856366 750734556 /nfs/dbraw/zinc/73/45/56/750734556.db2.gz BDSZYDVMPACABO-LLVKDONJSA-N 1 2 340.387 0.819 20 30 ECEDLO C#CCCCCC(=O)NC[C@H](O)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001105831044 762087015 /nfs/dbraw/zinc/08/70/15/762087015.db2.gz VGMDDZYAXIODAW-AWEZNQCLSA-N 1 2 345.447 0.547 20 30 ECEDLO C#CCCCCC(=O)NC[C@H](O)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001105831044 762087020 /nfs/dbraw/zinc/08/70/20/762087020.db2.gz VGMDDZYAXIODAW-AWEZNQCLSA-N 1 2 345.447 0.547 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC000981749823 751071380 /nfs/dbraw/zinc/07/13/80/751071380.db2.gz JYNXREXEUULKHR-MRXNPFEDSA-N 1 2 326.400 0.729 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC000981749823 751071386 /nfs/dbraw/zinc/07/13/86/751071386.db2.gz JYNXREXEUULKHR-MRXNPFEDSA-N 1 2 326.400 0.729 20 30 ECEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NCC)C[C@H]1OC ZINC001211997097 752337214 /nfs/dbraw/zinc/33/72/14/752337214.db2.gz GXNGFBPQIKHYMK-JHJVBQTASA-N 1 2 340.424 0.002 20 30 ECEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NCC)C[C@H]1OC ZINC001211997097 752337223 /nfs/dbraw/zinc/33/72/23/752337223.db2.gz GXNGFBPQIKHYMK-JHJVBQTASA-N 1 2 340.424 0.002 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cncc(C)c2)[C@H](OC)C1 ZINC001212070908 752471023 /nfs/dbraw/zinc/47/10/23/752471023.db2.gz BYINRJGCIFSVKG-FVQBIDKESA-N 1 2 346.431 0.510 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cncc(C)c2)[C@H](OC)C1 ZINC001212070908 752471028 /nfs/dbraw/zinc/47/10/28/752471028.db2.gz BYINRJGCIFSVKG-FVQBIDKESA-N 1 2 346.431 0.510 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)c1 ZINC001014047018 762138098 /nfs/dbraw/zinc/13/80/98/762138098.db2.gz SWPXDZMTFQHAJZ-SWLSCSKDSA-N 1 2 337.383 0.748 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC)[C@H](OC)C1 ZINC001211768694 752686738 /nfs/dbraw/zinc/68/67/38/752686738.db2.gz NGYSKVXNDMSYBK-YNEHKIRRSA-N 1 2 340.424 0.002 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC)[C@H](OC)C1 ZINC001211768694 752686743 /nfs/dbraw/zinc/68/67/43/752686743.db2.gz NGYSKVXNDMSYBK-YNEHKIRRSA-N 1 2 340.424 0.002 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3ccon3)C2)nn1 ZINC001098645442 752725070 /nfs/dbraw/zinc/72/50/70/752725070.db2.gz MIZGJLLQDURBFN-HNNXBMFYSA-N 1 2 328.376 0.395 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)/C=C/c2ccco2)[C@H](OC)C1 ZINC001211788823 752750955 /nfs/dbraw/zinc/75/09/55/752750955.db2.gz ZXMLHVBZYFQPLF-NZXCHNHRSA-N 1 2 347.415 0.799 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)/C=C/c2ccco2)[C@H](OC)C1 ZINC001211788823 752750962 /nfs/dbraw/zinc/75/09/62/752750962.db2.gz ZXMLHVBZYFQPLF-NZXCHNHRSA-N 1 2 347.415 0.799 20 30 ECEDLO CN(C)c1noc(C[N@@H+]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001028470171 752771312 /nfs/dbraw/zinc/77/13/12/752771312.db2.gz DWUQRNAJGBGTOS-LLVKDONJSA-N 1 2 343.391 0.587 20 30 ECEDLO CN(C)c1noc(C[N@H+]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001028470171 752771315 /nfs/dbraw/zinc/77/13/15/752771315.db2.gz DWUQRNAJGBGTOS-LLVKDONJSA-N 1 2 343.391 0.587 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001007684368 752783714 /nfs/dbraw/zinc/78/37/14/752783714.db2.gz DMTSDVTZIQRJPC-VXGBXAGGSA-N 1 2 339.827 0.879 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001007684368 752783715 /nfs/dbraw/zinc/78/37/15/752783715.db2.gz DMTSDVTZIQRJPC-VXGBXAGGSA-N 1 2 339.827 0.879 20 30 ECEDLO Cc1cn(C)nc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083453468 752802513 /nfs/dbraw/zinc/80/25/13/752802513.db2.gz HVVJXGYTRRKPIE-CVEARBPZSA-N 1 2 339.399 0.575 20 30 ECEDLO Cc1cn(C)nc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083453468 752802519 /nfs/dbraw/zinc/80/25/19/752802519.db2.gz HVVJXGYTRRKPIE-CVEARBPZSA-N 1 2 339.399 0.575 20 30 ECEDLO N#Cc1nccc(N[C@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)n1 ZINC001058995706 752808888 /nfs/dbraw/zinc/80/88/88/752808888.db2.gz SSRQIPNCFOGTAD-OLZOCXBDSA-N 1 2 337.387 0.242 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001007714722 752851311 /nfs/dbraw/zinc/85/13/11/752851311.db2.gz YPSUMAOBROJGDR-YVEFUNNKSA-N 1 2 345.403 0.250 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cc(C)nnc3C)C2)nn1 ZINC001098679276 752911559 /nfs/dbraw/zinc/91/15/59/752911559.db2.gz XCKDSCGDUOLOKR-HNNXBMFYSA-N 1 2 339.403 0.495 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1nnc([C@H]2CCCOC2)o1 ZINC001126377951 753048139 /nfs/dbraw/zinc/04/81/39/753048139.db2.gz HAAKINCITSGXAP-LRDDRELGSA-N 1 2 338.408 0.497 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2nncn2C)C1 ZINC001028548640 753109654 /nfs/dbraw/zinc/10/96/54/753109654.db2.gz CZGLIHVZRRQEGR-KFWWJZLASA-N 1 2 333.436 0.734 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2nncn2C)C1 ZINC001028548640 753109663 /nfs/dbraw/zinc/10/96/63/753109663.db2.gz CZGLIHVZRRQEGR-KFWWJZLASA-N 1 2 333.436 0.734 20 30 ECEDLO C=C(C)CCC(=O)N1CC[C@H](n2cc(C[NH2+][C@H](CC)C(N)=O)nn2)C1 ZINC001098681435 753627765 /nfs/dbraw/zinc/62/77/65/753627765.db2.gz SPBAXMQZPKKGEF-LSDHHAIUSA-N 1 2 348.451 0.761 20 30 ECEDLO C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O)n1cccn1 ZINC001083350226 753640925 /nfs/dbraw/zinc/64/09/25/753640925.db2.gz IUNWMYDZFOSVOO-GLQYFDAESA-N 1 2 345.428 0.739 20 30 ECEDLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O)n1cccn1 ZINC001083350226 753640930 /nfs/dbraw/zinc/64/09/30/753640930.db2.gz IUNWMYDZFOSVOO-GLQYFDAESA-N 1 2 345.428 0.739 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[C@@H]3CCCO3)[C@@H](O)C2)cc1F ZINC001083351598 753645192 /nfs/dbraw/zinc/64/51/92/753645192.db2.gz IANZBRRZIWWLBW-UAGQMJEPSA-N 1 2 347.390 0.928 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C[C@@H]3CCCO3)[C@@H](O)C2)cc1F ZINC001083351598 753645195 /nfs/dbraw/zinc/64/51/95/753645195.db2.gz IANZBRRZIWWLBW-UAGQMJEPSA-N 1 2 347.390 0.928 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CCOC3)[C@@H](O)C2)cc1C#N ZINC001083361212 753677372 /nfs/dbraw/zinc/67/73/72/753677372.db2.gz JNSVEYKGXUFFBK-IMJJTQAJSA-N 1 2 345.399 0.265 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CCOC3)[C@@H](O)C2)cc1C#N ZINC001083361212 753677373 /nfs/dbraw/zinc/67/73/73/753677373.db2.gz JNSVEYKGXUFFBK-IMJJTQAJSA-N 1 2 345.399 0.265 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]c4ncccc34)C2)nn1 ZINC001105374024 753744488 /nfs/dbraw/zinc/74/44/88/753744488.db2.gz BLGXGBBOWAKBSR-UHFFFAOYSA-N 1 2 335.371 0.574 20 30 ECEDLO CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001105564661 753827267 /nfs/dbraw/zinc/82/72/67/753827267.db2.gz OAXWIEALYYOFCR-CHWSQXEVSA-N 1 2 339.403 0.780 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+](CC(=O)N3CCC3)CC2)nc1 ZINC000989505815 754057883 /nfs/dbraw/zinc/05/78/83/754057883.db2.gz WZTZCROTPFORMT-UHFFFAOYSA-N 1 2 326.400 0.443 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@H+](CC(=O)N3CCC3)CC2)nc1 ZINC000989505815 754057890 /nfs/dbraw/zinc/05/78/90/754057890.db2.gz WZTZCROTPFORMT-UHFFFAOYSA-N 1 2 326.400 0.443 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001008740073 754062057 /nfs/dbraw/zinc/06/20/57/754062057.db2.gz XUXPOSOFUZNUCG-LLVKDONJSA-N 1 2 340.811 0.031 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001008740073 754062063 /nfs/dbraw/zinc/06/20/63/754062063.db2.gz XUXPOSOFUZNUCG-LLVKDONJSA-N 1 2 340.811 0.031 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccnn3C)C2)nn1 ZINC001008793898 754125301 /nfs/dbraw/zinc/12/53/01/754125301.db2.gz JUMIVVYUOVLFNI-CYBMUJFWSA-N 1 2 329.408 0.592 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccnn3C)C2)nn1 ZINC001008793898 754125304 /nfs/dbraw/zinc/12/53/04/754125304.db2.gz JUMIVVYUOVLFNI-CYBMUJFWSA-N 1 2 329.408 0.592 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3nocc3C)C2)C1=O ZINC001009104935 754541205 /nfs/dbraw/zinc/54/12/05/754541205.db2.gz AYPIYCZRQZPTHR-KBPBESRZSA-N 1 2 332.404 0.964 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3nocc3C)C2)C1=O ZINC001009104935 754541208 /nfs/dbraw/zinc/54/12/08/754541208.db2.gz AYPIYCZRQZPTHR-KBPBESRZSA-N 1 2 332.404 0.964 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)nc1 ZINC001009320749 754769672 /nfs/dbraw/zinc/76/96/72/754769672.db2.gz OYKPHHGLAMUYGZ-PHZGNYQRSA-N 1 2 349.394 0.463 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3ccnc(C)n3)C2)C1=O ZINC001009553153 754999115 /nfs/dbraw/zinc/99/91/15/754999115.db2.gz RNLROXQYGUOUPQ-GDBMZVCRSA-N 1 2 343.431 0.766 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3ccnc(C)n3)C2)C1=O ZINC001009553153 754999118 /nfs/dbraw/zinc/99/91/18/754999118.db2.gz RNLROXQYGUOUPQ-GDBMZVCRSA-N 1 2 343.431 0.766 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@@H]1O ZINC001083469268 755255014 /nfs/dbraw/zinc/25/50/14/755255014.db2.gz MUCPLMDJMQDZKX-SIXLDLHFSA-N 1 2 349.431 0.934 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@@H]1O ZINC001083469268 755255016 /nfs/dbraw/zinc/25/50/16/755255016.db2.gz MUCPLMDJMQDZKX-SIXLDLHFSA-N 1 2 349.431 0.934 20 30 ECEDLO C=CCOCC(=O)NCC[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001060039909 755285365 /nfs/dbraw/zinc/28/53/65/755285365.db2.gz LFUVWOLDCBSXJX-AWEZNQCLSA-N 1 2 334.420 0.818 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3nncn3C)C2)nn1 ZINC001028854218 755314451 /nfs/dbraw/zinc/31/44/51/755314451.db2.gz DXCWZJDJBDDBLA-ZDUSSCGKSA-N 1 2 344.423 0.235 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3nncn3C)C2)nn1 ZINC001028854218 755314455 /nfs/dbraw/zinc/31/44/55/755314455.db2.gz DXCWZJDJBDDBLA-ZDUSSCGKSA-N 1 2 344.423 0.235 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@H]3CCCCO3)C2)nn1 ZINC001098654031 755455701 /nfs/dbraw/zinc/45/57/01/755455701.db2.gz ZNLKKXZISUSHKI-HZPDHXFCSA-N 1 2 331.420 0.734 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001010109536 755660317 /nfs/dbraw/zinc/66/03/17/755660317.db2.gz ZCLFJFLGPGTFGV-INIZCTEOSA-N 1 2 326.400 0.871 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001010109536 755660319 /nfs/dbraw/zinc/66/03/19/755660319.db2.gz ZCLFJFLGPGTFGV-INIZCTEOSA-N 1 2 326.400 0.871 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)OC2(CCN(CC#N)CC2)C1 ZINC001098656602 755683709 /nfs/dbraw/zinc/68/37/09/755683709.db2.gz ULJKEHOXKXPRKK-CYBMUJFWSA-N 1 2 331.420 0.866 20 30 ECEDLO C[C@H]1C[C@H](CNC(=O)c2ccc(C#N)[nH]2)CN1C(=O)Cn1cc[nH+]c1 ZINC001010198545 755795930 /nfs/dbraw/zinc/79/59/30/755795930.db2.gz BCWBWCOISQBDFM-QWHCGFSZSA-N 1 2 340.387 0.750 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2oc(C)nc2C)C[C@@H]1O ZINC001083535718 755975280 /nfs/dbraw/zinc/97/52/80/755975280.db2.gz HXHWZADUXMDXSM-PMPSAXMXSA-N 1 2 346.431 0.050 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2oc(C)nc2C)C[C@@H]1O ZINC001083535718 755975283 /nfs/dbraw/zinc/97/52/83/755975283.db2.gz HXHWZADUXMDXSM-PMPSAXMXSA-N 1 2 346.431 0.050 20 30 ECEDLO C[C@@H]1C[C@H](CNC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001010326568 756002176 /nfs/dbraw/zinc/00/21/76/756002176.db2.gz BITSHTUFKYZEQI-DGCLKSJQSA-N 1 2 340.387 0.819 20 30 ECEDLO COc1ncc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)c(C)n1 ZINC001010459215 756153988 /nfs/dbraw/zinc/15/39/88/756153988.db2.gz XHZARZRBYNNOGY-CQSZACIVSA-N 1 2 340.387 0.998 20 30 ECEDLO COc1ncc(C[N@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)c(C)n1 ZINC001010459215 756153991 /nfs/dbraw/zinc/15/39/91/756153991.db2.gz XHZARZRBYNNOGY-CQSZACIVSA-N 1 2 340.387 0.998 20 30 ECEDLO COCc1noc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC001051608318 762456284 /nfs/dbraw/zinc/45/62/84/762456284.db2.gz BRCVXRMCOXLAQV-TZMCWYRMSA-N 1 2 348.403 0.507 20 30 ECEDLO C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001010688262 756399239 /nfs/dbraw/zinc/39/92/39/756399239.db2.gz IQGZJMKRRWDJBE-ZFWWWQNUSA-N 1 2 343.431 0.949 20 30 ECEDLO C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001010688262 756399246 /nfs/dbraw/zinc/39/92/46/756399246.db2.gz IQGZJMKRRWDJBE-ZFWWWQNUSA-N 1 2 343.431 0.949 20 30 ECEDLO 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/nfs/dbraw/zinc/50/45/95/756504595.db2.gz ISWJMNWMOYWJFT-CYBMUJFWSA-N 1 2 344.346 0.993 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)c1 ZINC001010834334 756580785 /nfs/dbraw/zinc/58/07/85/756580785.db2.gz NHCIUPUSTVMKQS-OCCSQVGLSA-N 1 2 332.335 0.496 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)c1 ZINC001010834334 756580788 /nfs/dbraw/zinc/58/07/88/756580788.db2.gz NHCIUPUSTVMKQS-OCCSQVGLSA-N 1 2 332.335 0.496 20 30 ECEDLO C#CCOCCC(=O)NCC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001076505415 756589224 /nfs/dbraw/zinc/58/92/24/756589224.db2.gz UVHJQMQHSNXKNE-AWEZNQCLSA-N 1 2 334.420 0.404 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000990894412 756740568 /nfs/dbraw/zinc/74/05/68/756740568.db2.gz WRUFDDBWHCFHPZ-SNVBAGLBSA-N 1 2 326.360 0.429 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000990894412 756740573 /nfs/dbraw/zinc/74/05/73/756740573.db2.gz WRUFDDBWHCFHPZ-SNVBAGLBSA-N 1 2 326.360 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C=CC[NH+]1CC(n2cc(CNC(=O)CCC(=O)NCCC)nn2)C1 ZINC001107230521 757938231 /nfs/dbraw/zinc/93/82/31/757938231.db2.gz LNWSWYGNKOBXOK-UHFFFAOYSA-N 1 2 334.424 0.243 20 30 ECEDLO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001049111057 757986065 /nfs/dbraw/zinc/98/60/65/757986065.db2.gz DIFRQVIQCLLIOZ-KBPBESRZSA-N 1 2 346.431 0.521 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)NC/C=C\CNc1cnc(C#N)cn1 ZINC001107297466 758195928 /nfs/dbraw/zinc/19/59/28/758195928.db2.gz IJDWFWKSQLTESR-IHWYPQMZSA-N 1 2 325.376 0.799 20 30 ECEDLO C[C@@H](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)NC(=O)C#CC1CC1 ZINC001077116220 758225882 /nfs/dbraw/zinc/22/58/82/758225882.db2.gz KWBMPQQCCDLQSN-ZFWWWQNUSA-N 1 2 328.416 0.870 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4nnc(C)[nH]4)C[C@@H]3C2)nc1 ZINC001049177689 758231907 /nfs/dbraw/zinc/23/19/07/758231907.db2.gz IMQJJGDXYYXZLK-GASCZTMLSA-N 1 2 336.399 0.693 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4nnc(C)[nH]4)C[C@@H]3C2)nc1 ZINC001049177689 758231913 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N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(N)=O ZINC001049692131 759105936 /nfs/dbraw/zinc/10/59/36/759105936.db2.gz QAZRDWQYFPNHOF-LSDHHAIUSA-N 1 2 330.363 0.748 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cn(-c3ccccc3)nn2)[C@@H](O)C1 ZINC001083595439 759204823 /nfs/dbraw/zinc/20/48/23/759204823.db2.gz ZTFBIRAQFUCPIO-ZBFHGGJFSA-N 1 2 325.372 0.066 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cn(-c3ccccc3)nn2)[C@@H](O)C1 ZINC001083595439 759204828 /nfs/dbraw/zinc/20/48/28/759204828.db2.gz ZTFBIRAQFUCPIO-ZBFHGGJFSA-N 1 2 325.372 0.066 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H]2C)c1 ZINC001012051199 759292560 /nfs/dbraw/zinc/29/25/60/759292560.db2.gz IAZKBNZWVODSNE-IUODEOHRSA-N 1 2 337.383 0.748 20 30 ECEDLO NC(=O)c1ncccc1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001032200627 759570360 /nfs/dbraw/zinc/57/03/60/759570360.db2.gz DHGQSMQCXZKOPP-UHFFFAOYSA-N 1 2 348.406 0.894 20 30 ECEDLO Cc1ccc(C#N)c(N(C)C[C@H](O)CN(C)C(=O)Cc2[nH]cc[nH+]2)n1 ZINC001125149605 759832658 /nfs/dbraw/zinc/83/26/58/759832658.db2.gz YHJYGKJPHOHPBW-CQSZACIVSA-N 1 2 342.403 0.483 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001012497964 760098080 /nfs/dbraw/zinc/09/80/80/760098080.db2.gz QFHLRUZNFZCMGX-RISCZKNCSA-N 1 2 340.387 0.582 20 30 ECEDLO C[C@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001050410347 760238988 /nfs/dbraw/zinc/23/89/88/760238988.db2.gz FNGBWQBGZSWYHL-GXTWGEPZSA-N 1 2 340.387 0.750 20 30 ECEDLO C[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@H]2CNc2ccncc2C#N)C1 ZINC001060225489 760490321 /nfs/dbraw/zinc/49/03/21/760490321.db2.gz SOQSVEOSDQIZAH-DOTOQJQBSA-N 1 2 343.431 0.499 20 30 ECEDLO C[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@H]2CNc2ccncc2C#N)C1 ZINC001060225489 760490330 /nfs/dbraw/zinc/49/03/30/760490330.db2.gz SOQSVEOSDQIZAH-DOTOQJQBSA-N 1 2 343.431 0.499 20 30 ECEDLO Cc1nc(N(C)C)nc(NC/C=C/CNC(=O)c2ccc(C#N)[nH]2)[nH+]1 ZINC001107126888 760505093 /nfs/dbraw/zinc/50/50/93/760505093.db2.gz FZCVSIFVSKRJBV-SNAWJCMRSA-N 1 2 340.391 0.844 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[NH+](Cc1nnnn1C)CC2 ZINC001050670169 760650216 /nfs/dbraw/zinc/65/02/16/760650216.db2.gz BPXMGMIDWATQGA-KGLIPLIRSA-N 1 2 346.435 0.226 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001012908043 760803329 /nfs/dbraw/zinc/80/33/29/760803329.db2.gz NSQGJAFETZCDGI-RISCZKNCSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001012908043 760803341 /nfs/dbraw/zinc/80/33/41/760803341.db2.gz NSQGJAFETZCDGI-RISCZKNCSA-N 1 2 340.387 0.961 20 30 ECEDLO C=CCOCC(=O)N[C@@H](C)CCNc1ncnc2c1C[N@H+](C)CC2 ZINC001106243698 768007248 /nfs/dbraw/zinc/00/72/48/768007248.db2.gz XUPWGWBQPCKFAQ-ZDUSSCGKSA-N 1 2 333.436 0.974 20 30 ECEDLO C=CCOCC(=O)N[C@@H](C)CCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106243698 768007251 /nfs/dbraw/zinc/00/72/51/768007251.db2.gz XUPWGWBQPCKFAQ-ZDUSSCGKSA-N 1 2 333.436 0.974 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1nc2ncc(C)cn2n1 ZINC001050973896 761256641 /nfs/dbraw/zinc/25/66/41/761256641.db2.gz JWGHEILCUXAASI-CYBMUJFWSA-N 1 2 330.392 0.439 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1nc2ncc(C)cn2n1 ZINC001050973896 761256646 /nfs/dbraw/zinc/25/66/46/761256646.db2.gz JWGHEILCUXAASI-CYBMUJFWSA-N 1 2 330.392 0.439 20 30 ECEDLO C[C@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001054526900 768030278 /nfs/dbraw/zinc/03/02/78/768030278.db2.gz GMIOSFRIOLPZGZ-LJIZCISZSA-N 1 2 348.447 0.362 20 30 ECEDLO C[C@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001054526900 768030282 /nfs/dbraw/zinc/03/02/82/768030282.db2.gz GMIOSFRIOLPZGZ-LJIZCISZSA-N 1 2 348.447 0.362 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cc1c[nH+]cn1C ZINC001013324267 761307777 /nfs/dbraw/zinc/30/77/77/761307777.db2.gz FPFWUTGUUYSSTB-SMDDNHRTSA-N 1 2 340.387 0.582 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccccc1OCC(N)=O ZINC001051010900 761330885 /nfs/dbraw/zinc/33/08/85/761330885.db2.gz FHTGZPZUEVXGSA-CQSZACIVSA-N 1 2 347.415 0.557 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccccc1OCC(N)=O ZINC001051010900 761330896 /nfs/dbraw/zinc/33/08/96/761330896.db2.gz FHTGZPZUEVXGSA-CQSZACIVSA-N 1 2 347.415 0.557 20 30 ECEDLO C=CCN1CCOC[C@@H]1CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001051075684 761444813 /nfs/dbraw/zinc/44/48/13/761444813.db2.gz MEAVEDHVXMNPKB-DLBZAZTESA-N 1 2 337.464 0.633 20 30 ECEDLO C=CCN1CCOC[C@@H]1CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001051075684 761444820 /nfs/dbraw/zinc/44/48/20/761444820.db2.gz MEAVEDHVXMNPKB-DLBZAZTESA-N 1 2 337.464 0.633 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2COCC[N@@H+]2CC[C@@H]2CCOC2)nn1 ZINC001051156583 761579273 /nfs/dbraw/zinc/57/92/73/761579273.db2.gz UQZZVYKNOJCNKG-CABCVRRESA-N 1 2 349.435 0.321 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2COCC[N@H+]2CC[C@@H]2CCOC2)nn1 ZINC001051156583 761579277 /nfs/dbraw/zinc/57/92/77/761579277.db2.gz UQZZVYKNOJCNKG-CABCVRRESA-N 1 2 349.435 0.321 20 30 ECEDLO C#CCCN1CCOC[C@@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001051191594 761655553 /nfs/dbraw/zinc/65/55/53/761655553.db2.gz JOUDRIDRFULCNF-INIZCTEOSA-N 1 2 339.399 0.721 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3(C)CC3)C2)nn1 ZINC001098675505 761662935 /nfs/dbraw/zinc/66/29/35/761662935.db2.gz CHFMPHWJPHJMLZ-CQSZACIVSA-N 1 2 346.435 0.243 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2CC[C@@H]2CCOC2)cn1 ZINC001051216288 761707306 /nfs/dbraw/zinc/70/73/06/761707306.db2.gz FNUSFOYNQLOYIH-CRAIPNDOSA-N 1 2 343.427 0.920 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2CC[C@@H]2CCOC2)cn1 ZINC001051216288 761707314 /nfs/dbraw/zinc/70/73/14/761707314.db2.gz FNUSFOYNQLOYIH-CRAIPNDOSA-N 1 2 343.427 0.920 20 30 ECEDLO CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)Cc2[nH]c[nH+]c2C)n1 ZINC001105920727 762775151 /nfs/dbraw/zinc/77/51/51/762775151.db2.gz MWCTYBFPLHCNSC-GFCCVEGCSA-N 1 2 343.391 0.074 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](O)C2)C1 ZINC000991726502 762993472 /nfs/dbraw/zinc/99/34/72/762993472.db2.gz XCQYVSONQDBWOC-CHWSQXEVSA-N 1 2 332.404 0.387 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001105965463 763082429 /nfs/dbraw/zinc/08/24/29/763082429.db2.gz BIDIVHUZNSFSOT-ZIAGYGMSSA-N 1 2 335.408 0.145 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NCC1=CCN(c2nccnc2C#N)CC1 ZINC001127664042 763179386 /nfs/dbraw/zinc/17/93/86/763179386.db2.gz CSXHNYLOGGKPIM-UHFFFAOYSA-N 1 2 337.387 0.577 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]2O)C1 ZINC000991766229 763334427 /nfs/dbraw/zinc/33/44/27/763334427.db2.gz XVQWSBDHMXGDKG-KBPBESRZSA-N 1 2 332.404 0.317 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C)CCCC3)C2)C1=O ZINC001077469326 763380177 /nfs/dbraw/zinc/38/01/77/763380177.db2.gz YAAPZOMFXNFUNL-RBSFLKMASA-N 1 2 335.448 0.515 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C)CCCC3)C2)C1=O ZINC001077469326 763380187 /nfs/dbraw/zinc/38/01/87/763380187.db2.gz YAAPZOMFXNFUNL-RBSFLKMASA-N 1 2 335.448 0.515 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)CCC2(F)F)[nH]1 ZINC001046930757 763409160 /nfs/dbraw/zinc/40/91/60/763409160.db2.gz IRNLFHSKAXLQEH-SECBINFHSA-N 1 2 325.319 0.059 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)CCC2(F)F)[nH]1 ZINC001046930757 763409162 /nfs/dbraw/zinc/40/91/62/763409162.db2.gz IRNLFHSKAXLQEH-SECBINFHSA-N 1 2 325.319 0.059 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001046936949 763420052 /nfs/dbraw/zinc/42/00/52/763420052.db2.gz ZBLPYGGHTGWAJW-VHSXEESVSA-N 1 2 337.754 0.921 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001046936949 763420056 /nfs/dbraw/zinc/42/00/56/763420056.db2.gz ZBLPYGGHTGWAJW-VHSXEESVSA-N 1 2 337.754 0.921 20 30 ECEDLO Cn1nnc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)n1 ZINC001031904913 763485518 /nfs/dbraw/zinc/48/55/18/763485518.db2.gz NUMCXGKYGJTZEQ-UHFFFAOYSA-N 1 2 328.351 0.063 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc(C)cn3)C2)CC1 ZINC001051974025 763487850 /nfs/dbraw/zinc/48/78/50/763487850.db2.gz ADASUNSOUKSHSO-INIZCTEOSA-N 1 2 327.432 0.640 20 30 ECEDLO CN1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)C1=O ZINC001031909904 763523852 /nfs/dbraw/zinc/52/38/52/763523852.db2.gz FMAMXORLERFSDH-INIZCTEOSA-N 1 2 326.400 0.585 20 30 ECEDLO CN1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)C1=O ZINC001031911057 763528304 /nfs/dbraw/zinc/52/83/04/763528304.db2.gz UPLDXVDAKXTWQS-OAHLLOKOSA-N 1 2 344.390 0.724 20 30 ECEDLO Cc1nc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)co1 ZINC001051998255 763550092 /nfs/dbraw/zinc/55/00/92/763550092.db2.gz QBQRMNIQABQLAB-CZUORRHYSA-N 1 2 331.420 0.861 20 30 ECEDLO Cc1nocc1CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001051998252 763550560 /nfs/dbraw/zinc/55/05/60/763550560.db2.gz QANIVHNKCBRJCB-XJKSGUPXSA-N 1 2 331.420 0.861 20 30 ECEDLO Cc1oncc1CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001051998606 763551401 /nfs/dbraw/zinc/55/14/01/763551401.db2.gz WGJCLFZMWZJOLM-CZUORRHYSA-N 1 2 331.420 0.861 20 30 ECEDLO Cc1oncc1C[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001051998606 763551409 /nfs/dbraw/zinc/55/14/09/763551409.db2.gz WGJCLFZMWZJOLM-CZUORRHYSA-N 1 2 331.420 0.861 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cn(C)nc3C)C2)CC1 ZINC001052004251 763566714 /nfs/dbraw/zinc/56/67/14/763566714.db2.gz JAIZAQHZRHXBHR-INIZCTEOSA-N 1 2 329.448 0.584 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C2)CC1 ZINC001052010678 763579365 /nfs/dbraw/zinc/57/93/65/763579365.db2.gz CWPSNHZDOSXEED-JKSUJKDBSA-N 1 2 334.464 0.307 20 30 ECEDLO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)c(C)nn1 ZINC001052033309 763636800 /nfs/dbraw/zinc/63/68/00/763636800.db2.gz OMJDICTWCDBWDL-HNNXBMFYSA-N 1 2 328.420 0.449 20 30 ECEDLO Cn1nc(C2CC2)cc1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052036016 763646368 /nfs/dbraw/zinc/64/63/68/763646368.db2.gz XABZIQMRVUYJIM-HNNXBMFYSA-N 1 2 342.447 0.653 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn4ccncc34)C2)CC1 ZINC001052036928 763651864 /nfs/dbraw/zinc/65/18/64/763651864.db2.gz YFYZWMZJSIYPNI-AWEZNQCLSA-N 1 2 339.403 0.085 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn(C(C)(C)C)nn3)C2)CC1 ZINC001052036968 763652128 /nfs/dbraw/zinc/65/21/28/763652128.db2.gz ZLSLUYURMCLFMK-HNNXBMFYSA-N 1 2 344.463 0.498 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cn(C(C)(C)C)nn3)C2)CC1 ZINC001052036968 763652132 /nfs/dbraw/zinc/65/21/32/763652132.db2.gz ZLSLUYURMCLFMK-HNNXBMFYSA-N 1 2 344.463 0.498 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3cnc(C)o3)C2)CC1 ZINC001052036965 763652560 /nfs/dbraw/zinc/65/25/60/763652560.db2.gz ZJBJAIBCOMXZEE-MRXNPFEDSA-N 1 2 330.432 0.767 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3snnc3C3CC3)C2)CC1 ZINC001052037943 763656976 /nfs/dbraw/zinc/65/69/76/763656976.db2.gz VJCFFONYFJYQJV-CQSZACIVSA-N 1 2 345.472 0.881 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cccc(C(N)=O)c3)C2)CC1 ZINC001052045454 763683524 /nfs/dbraw/zinc/68/35/24/763683524.db2.gz UBLGSNRQSZVGIE-INIZCTEOSA-N 1 2 341.415 0.141 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn4cccnc4n3)C2)CC1 ZINC001052048537 763696396 /nfs/dbraw/zinc/69/63/96/763696396.db2.gz XDLXVBPRYLCGCX-HNNXBMFYSA-N 1 2 340.431 0.747 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C2)CC1 ZINC001052049811 763703537 /nfs/dbraw/zinc/70/35/37/763703537.db2.gz QHOAAOMITAORHT-HNNXBMFYSA-N 1 2 345.447 0.684 20 30 ECEDLO N#Cc1cccnc1NC[C@@H](O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001106014888 763713697 /nfs/dbraw/zinc/71/36/97/763713697.db2.gz DVUZMLODMOPQKH-ZIAGYGMSSA-N 1 2 340.387 0.301 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3onc4c3CCCC4)C2)CC1 ZINC001052052458 763715797 /nfs/dbraw/zinc/71/57/97/763715797.db2.gz MZSAFYAGAXEFIV-CQSZACIVSA-N 1 2 343.431 0.909 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3cn(CC)nn3)C2)CC1 ZINC001052055129 763723770 /nfs/dbraw/zinc/72/37/70/763723770.db2.gz IAULOTJLYRXXHW-KRWDZBQOSA-N 1 2 344.463 0.082 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@]3(C)CNC(=O)C3)C2)CC1 ZINC001052057723 763732184 /nfs/dbraw/zinc/73/21/84/763732184.db2.gz RWNWOBMNKXASCS-QAPCUYQASA-N 1 2 334.464 0.307 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)CC1 ZINC001052059515 763737671 /nfs/dbraw/zinc/73/76/71/763737671.db2.gz JQQPNJMBUWQOKA-KBPBESRZSA-N 1 2 340.855 0.094 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC000991817634 763741678 /nfs/dbraw/zinc/74/16/78/763741678.db2.gz OWDOKBGKNVNRMI-ZIAGYGMSSA-N 1 2 334.420 0.633 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN([C@@H](C)C(=O)NC)CC2)C1 ZINC001052062754 763748176 /nfs/dbraw/zinc/74/81/76/763748176.db2.gz NKZCOJWHUOFCIA-LSDHHAIUSA-N 1 2 336.480 0.552 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H](N2CC[NH+]([C@@H](C)C(=O)NC)CC2)C1 ZINC001052062754 763748180 /nfs/dbraw/zinc/74/81/80/763748180.db2.gz NKZCOJWHUOFCIA-LSDHHAIUSA-N 1 2 336.480 0.552 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cccc(-c3ncon3)c2)[C@@H](O)C1 ZINC001083771927 763784531 /nfs/dbraw/zinc/78/45/31/763784531.db2.gz 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C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3nnn(C(C)C)c3C)C2)CC1 ZINC001052103715 763871228 /nfs/dbraw/zinc/87/12/28/763871228.db2.gz TZFXAWRLASTHEL-MRXNPFEDSA-N 1 2 344.463 0.633 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn(C)c3OC)C2)CC1 ZINC001052112599 763908232 /nfs/dbraw/zinc/90/82/32/763908232.db2.gz AIGXEWDEJUIOCA-OAHLLOKOSA-N 1 2 345.447 0.284 20 30 ECEDLO CN(C(=O)[C@H]1CCCO1)[C@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001047295720 763913398 /nfs/dbraw/zinc/91/33/98/763913398.db2.gz RXOXKWZPXWZJHP-OKZBNKHCSA-N 1 2 346.402 0.860 20 30 ECEDLO CN(C(=O)[C@H]1CCCO1)[C@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001047295720 763913404 /nfs/dbraw/zinc/91/34/04/763913404.db2.gz RXOXKWZPXWZJHP-OKZBNKHCSA-N 1 2 346.402 0.860 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc4n[nH]nc4c3)C2)CC1 ZINC001052116942 763925221 /nfs/dbraw/zinc/92/52/21/763925221.db2.gz BSBXTHOVIWTSES-AWEZNQCLSA-N 1 2 339.403 0.314 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)=O)C2)CC1 ZINC001052123383 763948350 /nfs/dbraw/zinc/94/83/50/763948350.db2.gz GIEJRBHSGSLNFM-QZTJIDSGSA-N 1 2 346.475 0.239 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1OC ZINC001212187118 763955970 /nfs/dbraw/zinc/95/59/70/763955970.db2.gz KGHRMXGEDMANCI-BRWVUGGUSA-N 1 2 349.475 0.864 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1OC ZINC001212187118 763955974 /nfs/dbraw/zinc/95/59/74/763955974.db2.gz KGHRMXGEDMANCI-BRWVUGGUSA-N 1 2 349.475 0.864 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2=CCN(C(=O)Cn3cc[nH+]c3)CC2)cn1 ZINC001017606901 768181358 /nfs/dbraw/zinc/18/13/58/768181358.db2.gz YGQSZJDFWFJSBQ-UHFFFAOYSA-N 1 2 349.394 0.848 20 30 ECEDLO Cc1cc(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)ncn1 ZINC001047338382 764045847 /nfs/dbraw/zinc/04/58/47/764045847.db2.gz WSPLYBOTPPOBGD-HOTGVXAUSA-N 1 2 340.387 0.302 20 30 ECEDLO Cc1cc(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)ncn1 ZINC001047338382 764045856 /nfs/dbraw/zinc/04/58/56/764045856.db2.gz WSPLYBOTPPOBGD-HOTGVXAUSA-N 1 2 340.387 0.302 20 30 ECEDLO C=CCOCC(=O)N1C[C@H](C)[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001052219884 764077727 /nfs/dbraw/zinc/07/77/27/764077727.db2.gz FILGYAMOTNBTML-GXTWGEPZSA-N 1 2 334.420 0.674 20 30 ECEDLO Cn1ncnc1C[N@@H+]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001052284564 764191556 /nfs/dbraw/zinc/19/15/56/764191556.db2.gz DPYYBJVMPQNCEL-ZDUSSCGKSA-N 1 2 327.392 0.799 20 30 ECEDLO Cn1ncnc1C[N@H+]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001052284564 764191563 /nfs/dbraw/zinc/19/15/63/764191563.db2.gz DPYYBJVMPQNCEL-ZDUSSCGKSA-N 1 2 327.392 0.799 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001047404678 764236241 /nfs/dbraw/zinc/23/62/41/764236241.db2.gz ULLDZNQYOFUQRS-GUTXKFCHSA-N 1 2 332.404 0.651 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001052320086 764243697 /nfs/dbraw/zinc/24/36/97/764243697.db2.gz NJFSNKODNYXTRH-RYUDHWBXSA-N 1 2 342.407 0.755 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@H+]1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001052320086 764243702 /nfs/dbraw/zinc/24/37/02/764243702.db2.gz NJFSNKODNYXTRH-RYUDHWBXSA-N 1 2 342.407 0.755 20 30 ECEDLO Cn1nnnc1C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001052320586 764245299 /nfs/dbraw/zinc/24/52/99/764245299.db2.gz SRFZCFYVSVGSHC-LLVKDONJSA-N 1 2 328.380 0.194 20 30 ECEDLO Cn1nnnc1C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001052320586 764245304 /nfs/dbraw/zinc/24/53/04/764245304.db2.gz SRFZCFYVSVGSHC-LLVKDONJSA-N 1 2 328.380 0.194 20 30 ECEDLO CN(CCOCCNc1cncc(C#N)n1)C(=O)Cn1cc[nH+]c1 ZINC001127328555 768201035 /nfs/dbraw/zinc/20/10/35/768201035.db2.gz DJKLDMDCYOBUGK-UHFFFAOYSA-N 1 2 329.364 0.132 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(cc[nH]c3=O)n2)C1 ZINC001047432893 764329943 /nfs/dbraw/zinc/32/99/43/764329943.db2.gz MZTVNZMEBHSGOD-GJZGRUSLSA-N 1 2 326.356 0.086 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(cc[nH]c3=O)n2)C1 ZINC001047432893 764329945 /nfs/dbraw/zinc/32/99/45/764329945.db2.gz MZTVNZMEBHSGOD-GJZGRUSLSA-N 1 2 326.356 0.086 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C(C)(C)CCOC)C2)nn1 ZINC001098763547 764367126 /nfs/dbraw/zinc/36/71/26/764367126.db2.gz ZNNVGHPZHUFQPE-HNNXBMFYSA-N 1 2 333.436 0.837 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2N2CCCC2)C1 ZINC001047445848 764368546 /nfs/dbraw/zinc/36/85/46/764368546.db2.gz NPGAJAMJHCEMCL-HOTGVXAUSA-N 1 2 328.416 0.432 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2N2CCCC2)C1 ZINC001047445848 764368557 /nfs/dbraw/zinc/36/85/57/764368557.db2.gz NPGAJAMJHCEMCL-HOTGVXAUSA-N 1 2 328.416 0.432 20 30 ECEDLO C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001052385247 764384611 /nfs/dbraw/zinc/38/46/11/764384611.db2.gz RPXDRECOEOVLGA-NWDGAFQWSA-N 1 2 340.387 0.676 20 30 ECEDLO C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001052393112 764405786 /nfs/dbraw/zinc/40/57/86/764405786.db2.gz YCBUQWXLJGBPSR-WCQYABFASA-N 1 2 340.387 0.676 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(OC)no3)[C@@H]2C)nn1 ZINC001088907105 764419420 /nfs/dbraw/zinc/41/94/20/764419420.db2.gz ZUQBDGWDMRBCSR-YPMHNXCESA-N 1 2 346.391 0.854 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cc(OC)no3)[C@@H]2C)nn1 ZINC001088907105 764419430 /nfs/dbraw/zinc/41/94/30/764419430.db2.gz ZUQBDGWDMRBCSR-YPMHNXCESA-N 1 2 346.391 0.854 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC001077481771 764627713 /nfs/dbraw/zinc/62/77/13/764627713.db2.gz FPAWYUONXZMENE-HUUCEWRRSA-N 1 2 327.388 0.075 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC001077481771 764627720 /nfs/dbraw/zinc/62/77/20/764627720.db2.gz FPAWYUONXZMENE-HUUCEWRRSA-N 1 2 327.388 0.075 20 30 ECEDLO C=CCOc1cccnc1C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001032115346 764629222 /nfs/dbraw/zinc/62/92/22/764629222.db2.gz WPCNBLHHUVCWMO-CYBMUJFWSA-N 1 2 330.388 0.197 20 30 ECEDLO C=CCC1(C(=O)NC[C@@H](O)CNc2nc(N(C)C)nc(C)[nH+]2)CCC1 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CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001015602989 765039827 /nfs/dbraw/zinc/03/98/27/765039827.db2.gz ZYVXUBKTFMKDMJ-JKSUJKDBSA-N 1 2 326.400 0.870 20 30 ECEDLO CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001015602989 765039833 /nfs/dbraw/zinc/03/98/33/765039833.db2.gz ZYVXUBKTFMKDMJ-JKSUJKDBSA-N 1 2 326.400 0.870 20 30 ECEDLO NC(=O)C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC001015641228 765116848 /nfs/dbraw/zinc/11/68/48/765116848.db2.gz GLMRCXURTBWPTI-ZDUSSCGKSA-N 1 2 339.317 0.733 20 30 ECEDLO NC(=O)C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC001015641228 765116851 /nfs/dbraw/zinc/11/68/51/765116851.db2.gz GLMRCXURTBWPTI-ZDUSSCGKSA-N 1 2 339.317 0.733 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C3CC3)C2)c1 ZINC001015678944 765150070 /nfs/dbraw/zinc/15/00/70/765150070.db2.gz QYFBSHNIAMNFPV-OAHLLOKOSA-N 1 2 326.400 0.488 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C3CC3)C2)c1 ZINC001015678944 765150076 /nfs/dbraw/zinc/15/00/76/765150076.db2.gz QYFBSHNIAMNFPV-OAHLLOKOSA-N 1 2 326.400 0.488 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NCC2CC(NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC000992009672 765150303 /nfs/dbraw/zinc/15/03/03/765150303.db2.gz SLGAXQDQQWLPTD-UHFFFAOYSA-N 1 2 326.360 0.408 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)C2)c1 ZINC001015678628 765150580 /nfs/dbraw/zinc/15/05/80/765150580.db2.gz LGLJXBGJEMFOCF-GOEBONIOSA-N 1 2 347.440 0.302 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C2)c1 ZINC001015678628 765150582 /nfs/dbraw/zinc/15/05/82/765150582.db2.gz LGLJXBGJEMFOCF-GOEBONIOSA-N 1 2 347.440 0.302 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3nccnc3C)C2)nn1 ZINC001015810271 765368243 /nfs/dbraw/zinc/36/82/43/765368243.db2.gz DSDDFAZKLQRFSY-CYBMUJFWSA-N 1 2 327.392 0.567 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3nccnc3C)C2)nn1 ZINC001015810271 765368252 /nfs/dbraw/zinc/36/82/52/765368252.db2.gz DSDDFAZKLQRFSY-CYBMUJFWSA-N 1 2 327.392 0.567 20 30 ECEDLO Cn1ncc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)n1 ZINC001015846271 765433395 /nfs/dbraw/zinc/43/33/95/765433395.db2.gz SHHIAXYEEGKERX-CYBMUJFWSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)n1 ZINC001015846271 765433402 /nfs/dbraw/zinc/43/34/02/765433402.db2.gz SHHIAXYEEGKERX-CYBMUJFWSA-N 1 2 328.351 0.830 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001053034654 765508178 /nfs/dbraw/zinc/50/81/78/765508178.db2.gz RYHDEEPANWDYNN-LSDHHAIUSA-N 1 2 346.431 0.213 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ocnc3C)C[C@H]2O)cc1 ZINC001077493793 765586041 /nfs/dbraw/zinc/58/60/41/765586041.db2.gz KREZRVQZQVVGPD-HZPDHXFCSA-N 1 2 325.368 0.939 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ocnc3C)C[C@H]2O)cc1 ZINC001077493793 765586046 /nfs/dbraw/zinc/58/60/46/765586046.db2.gz KREZRVQZQVVGPD-HZPDHXFCSA-N 1 2 325.368 0.939 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cnc(C)o3)C[C@H]2O)cc1 ZINC001077493932 765600604 /nfs/dbraw/zinc/60/06/04/765600604.db2.gz QPHIXXYPGAAVSV-IAGOWNOFSA-N 1 2 325.368 0.939 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cnc(C)o3)C[C@H]2O)cc1 ZINC001077493932 765600608 /nfs/dbraw/zinc/60/06/08/765600608.db2.gz QPHIXXYPGAAVSV-IAGOWNOFSA-N 1 2 325.368 0.939 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CCCC3)C2)nc1 ZINC001016022770 765727752 /nfs/dbraw/zinc/72/77/52/765727752.db2.gz GGCZPFSKHRQAIP-MRXNPFEDSA-N 1 2 340.427 0.926 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CCCC3)C2)nc1 ZINC001016022770 765727757 /nfs/dbraw/zinc/72/77/57/765727757.db2.gz GGCZPFSKHRQAIP-MRXNPFEDSA-N 1 2 340.427 0.926 20 30 ECEDLO N#Cc1nccnc1NC[C@@H](O)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001106104487 765750604 /nfs/dbraw/zinc/75/06/04/765750604.db2.gz MOZIMRAJCVIGEJ-MNOVXSKESA-N 1 2 341.375 0.080 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cnn3ncccc13)CCO2 ZINC001053288434 765914051 /nfs/dbraw/zinc/91/40/51/765914051.db2.gz JWMLZASRPZXWSM-UHFFFAOYSA-N 1 2 327.388 0.832 20 30 ECEDLO CC#CCN1CC2(C1)CN(C(=O)[C@H]1CCn3cc[nH+]c3C1)CCO2 ZINC001053315385 765955194 /nfs/dbraw/zinc/95/51/94/765955194.db2.gz CUUALZBMAKJHSQ-HNNXBMFYSA-N 1 2 328.416 0.382 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cnc3c(c1)nnn3C)CCO2 ZINC001053343071 766005544 /nfs/dbraw/zinc/00/55/44/766005544.db2.gz VESMUFSGKYDLHY-UHFFFAOYSA-N 1 2 342.403 0.466 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCc3nn[nH]c31)CCO2 ZINC001053397947 766081960 /nfs/dbraw/zinc/08/19/60/766081960.db2.gz PHYBGWLBZQVBLZ-ZDUSSCGKSA-N 1 2 331.420 0.714 20 30 ECEDLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CCNc1ccnc(C#N)n1 ZINC001053399460 766082961 /nfs/dbraw/zinc/08/29/61/766082961.db2.gz XVVWDMYWBBJQOR-ZIAGYGMSSA-N 1 2 339.403 0.563 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2cnnn2)cn1 ZINC001017767371 768355069 /nfs/dbraw/zinc/35/50/69/768355069.db2.gz MMSRLARNJHFZCX-GASCZTMLSA-N 1 2 337.387 0.369 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2cnnn2)cn1 ZINC001017767371 768355075 /nfs/dbraw/zinc/35/50/75/768355075.db2.gz MMSRLARNJHFZCX-GASCZTMLSA-N 1 2 337.387 0.369 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3nn(CC)nc3C)C2)C1=O ZINC001016425548 766277201 /nfs/dbraw/zinc/27/72/01/766277201.db2.gz ZSYWTLOUUKTECS-KBPBESRZSA-N 1 2 346.435 0.197 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3nn(CC)nc3C)C2)C1=O ZINC001016425548 766277205 /nfs/dbraw/zinc/27/72/05/766277205.db2.gz ZSYWTLOUUKTECS-KBPBESRZSA-N 1 2 346.435 0.197 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCc3nnc(C)n3C1)CCO2 ZINC001053540472 766305023 /nfs/dbraw/zinc/30/50/23/766305023.db2.gz SVSSGTJHXYQTQV-OAHLLOKOSA-N 1 2 345.447 0.638 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc(C(N)=O)cn1)CCO2 ZINC001053548878 766315157 /nfs/dbraw/zinc/31/51/57/766315157.db2.gz JALIIDNMGGDNDW-UHFFFAOYSA-N 1 2 330.388 0.283 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001045783549 766365722 /nfs/dbraw/zinc/36/57/22/766365722.db2.gz ZIOQHZPVKRVUGL-KRWDZBQOSA-N 1 2 348.447 0.955 20 30 ECEDLO N#Cc1c(Cl)nsc1NC[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001106129272 766436108 /nfs/dbraw/zinc/43/61/08/766436108.db2.gz GGIDPJJRSJNWBS-QMMMGPOBSA-N 1 2 340.796 0.523 20 30 ECEDLO C#CCN1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCc3c[nH+]cn3C1)O2 ZINC001053619816 766450531 /nfs/dbraw/zinc/45/05/31/766450531.db2.gz XDXFNOGOUZOUSC-GOEBONIOSA-N 1 2 328.416 0.428 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnn3c1OCCC3)O2 ZINC001053624400 766464089 /nfs/dbraw/zinc/46/40/89/766464089.db2.gz QKRUXKCPXIPYLP-ZDUSSCGKSA-N 1 2 332.404 0.815 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccoc1CC(N)=O)O2 ZINC001053653908 766518080 /nfs/dbraw/zinc/51/80/80/766518080.db2.gz CDDZEALNZDYKMD-CYBMUJFWSA-N 1 2 347.415 0.847 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001016573367 766519323 /nfs/dbraw/zinc/51/93/23/766519323.db2.gz MVCVTWSPHPCJOT-FJBKBRRZSA-N 1 2 346.431 0.970 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C(N)=O)c[nH]1)O2 ZINC001053680109 766568825 /nfs/dbraw/zinc/56/88/25/766568825.db2.gz XNLTXIUAOUGWTO-CYBMUJFWSA-N 1 2 332.404 0.653 20 30 ECEDLO C#CCOc1ncccc1C(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001053691381 766599396 /nfs/dbraw/zinc/59/93/96/766599396.db2.gz WAELHXJTZRNIMT-CQSZACIVSA-N 1 2 345.399 0.049 20 30 ECEDLO C[C@H](CC(=O)NC[C@@H](O)CNc1ncccc1C#N)n1cc[nH+]c1 ZINC001106132010 766601466 /nfs/dbraw/zinc/60/14/66/766601466.db2.gz PMUVHHXLLAOJMX-TZMCWYRMSA-N 1 2 328.376 0.690 20 30 ECEDLO CCn1ncc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)n1 ZINC001046011693 766636780 /nfs/dbraw/zinc/63/67/80/766636780.db2.gz GBSWXMRKWAGTFX-HOCLYGCPSA-N 1 2 345.451 0.176 20 30 ECEDLO CCn1ncc(C[N@H+]2CC[C@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)n1 ZINC001046011693 766636783 /nfs/dbraw/zinc/63/67/83/766636783.db2.gz GBSWXMRKWAGTFX-HOCLYGCPSA-N 1 2 345.451 0.176 20 30 ECEDLO O=C(C#CC1CC1)N1CCN([C@@H]2CC[N@H+](Cc3cnns3)C2)CC1 ZINC001046026876 766684250 /nfs/dbraw/zinc/68/42/50/766684250.db2.gz GNYFXXQDOUDKSW-OAHLLOKOSA-N 1 2 345.472 0.670 20 30 ECEDLO O=C(C#CC1CC1)N1CCN([C@@H]2CC[N@@H+](Cc3cnns3)C2)CC1 ZINC001046026876 766684255 /nfs/dbraw/zinc/68/42/55/766684255.db2.gz GNYFXXQDOUDKSW-OAHLLOKOSA-N 1 2 345.472 0.670 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3cocc3C)[C@@H](O)C2)C1=O ZINC001083705319 766844584 /nfs/dbraw/zinc/84/45/84/766844584.db2.gz ASIBJSRJDQTBSJ-KFWWJZLASA-N 1 2 333.388 0.150 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3cocc3C)[C@@H](O)C2)C1=O ZINC001083705319 766844595 /nfs/dbraw/zinc/84/45/95/766844595.db2.gz ASIBJSRJDQTBSJ-KFWWJZLASA-N 1 2 333.388 0.150 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cc(C4CC4)n[nH]3)CC2)C1 ZINC001046066686 766855211 /nfs/dbraw/zinc/85/52/11/766855211.db2.gz GYTDUILLHYZNPB-CQSZACIVSA-N 1 2 328.420 0.643 20 30 ECEDLO C[C@H](Cc1cnn(C)c1)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046075501 766896739 /nfs/dbraw/zinc/89/67/39/766896739.db2.gz VAELYYJSDUXCLC-WBVHZDCISA-N 1 2 344.463 0.341 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)CC)CO2 ZINC001053813619 766908943 /nfs/dbraw/zinc/90/89/43/766908943.db2.gz UYAINWKPJQTSGL-HOTGVXAUSA-N 1 2 347.459 0.760 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046080128 766915518 /nfs/dbraw/zinc/91/55/18/766915518.db2.gz AGWLKTPNODHOLM-LJQANCHMSA-N 1 2 336.439 0.952 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc3n1CCOC3)CO2 ZINC001053834566 766972889 /nfs/dbraw/zinc/97/28/89/766972889.db2.gz PTHVGMMHARBZKC-ZDUSSCGKSA-N 1 2 330.388 0.010 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc3n1CCOC3)CO2 ZINC001053834565 766973081 /nfs/dbraw/zinc/97/30/81/766973081.db2.gz PTHVGMMHARBZKC-CYBMUJFWSA-N 1 2 330.388 0.010 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3cnns3)C2)C1=O ZINC001046164838 767000218 /nfs/dbraw/zinc/00/02/18/767000218.db2.gz JPXXOJYIHXJWPW-ABAIWWIYSA-N 1 2 335.433 0.519 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3cnns3)C2)C1=O ZINC001046164838 767000228 /nfs/dbraw/zinc/00/02/28/767000228.db2.gz JPXXOJYIHXJWPW-ABAIWWIYSA-N 1 2 335.433 0.519 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](Cc1nncn1C)CC2 ZINC001016833333 767014004 /nfs/dbraw/zinc/01/40/04/767014004.db2.gz QJIMHJYQBWJEPD-QLFBSQMISA-N 1 2 345.447 0.877 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc(C(N)=O)c1)CO2 ZINC001053849855 767014672 /nfs/dbraw/zinc/01/46/72/767014672.db2.gz WGJLSTQIRDBRIM-OAHLLOKOSA-N 1 2 329.400 0.935 20 30 ECEDLO CCn1nncc1C[N@@H+]1CC[C@](C)(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001046222707 767090755 /nfs/dbraw/zinc/09/07/55/767090755.db2.gz BXVIVXYBDPIXEQ-INIZCTEOSA-N 1 2 327.392 0.892 20 30 ECEDLO CCn1nncc1C[N@H+]1CC[C@](C)(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001046222707 767090762 /nfs/dbraw/zinc/09/07/62/767090762.db2.gz BXVIVXYBDPIXEQ-INIZCTEOSA-N 1 2 327.392 0.892 20 30 ECEDLO CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001089713286 767110698 /nfs/dbraw/zinc/11/06/98/767110698.db2.gz FIGAYMCSNFOTGS-CYBMUJFWSA-N 1 2 327.392 0.966 20 30 ECEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1OC ZINC001212321158 767214117 /nfs/dbraw/zinc/21/41/17/767214117.db2.gz UOLCFNXITPCKHO-QLFBSQMISA-N 1 2 349.431 0.375 20 30 ECEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1OC ZINC001212321158 767214118 /nfs/dbraw/zinc/21/41/18/767214118.db2.gz UOLCFNXITPCKHO-QLFBSQMISA-N 1 2 349.431 0.375 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001046545375 767296005 /nfs/dbraw/zinc/29/60/05/767296005.db2.gz JEVAUEISWYKEBY-BXUZGUMPSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001046545375 767296008 /nfs/dbraw/zinc/29/60/08/767296008.db2.gz JEVAUEISWYKEBY-BXUZGUMPSA-N 1 2 344.253 0.954 20 30 ECEDLO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCc3n[nH]nc31)CO2 ZINC001053908190 767327228 /nfs/dbraw/zinc/32/72/28/767327228.db2.gz MEXPUBAMDPJEDJ-STQMWFEESA-N 1 2 331.420 0.760 20 30 ECEDLO C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCc3n[nH]nc31)CO2 ZINC001053908189 767327613 /nfs/dbraw/zinc/32/76/13/767327613.db2.gz MEXPUBAMDPJEDJ-QWHCGFSZSA-N 1 2 331.420 0.760 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC(=O)N(CCC)C1)CO2 ZINC001053940606 767409610 /nfs/dbraw/zinc/40/96/10/767409610.db2.gz ICARUKMLNREBDL-GJZGRUSLSA-N 1 2 335.448 0.781 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)c[nH+]1 ZINC001106159405 767410318 /nfs/dbraw/zinc/41/03/18/767410318.db2.gz HRTLMHWJMXBWDR-CYBMUJFWSA-N 1 2 343.391 0.178 20 30 ECEDLO N#Cc1nccc(N2CC=C(CCNC(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001089834533 767419082 /nfs/dbraw/zinc/41/90/82/767419082.db2.gz IBVCKMWDFGRYTK-UHFFFAOYSA-N 1 2 337.387 0.888 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@@H]2COC3(C[NH+](CCOC)C3)C2)cc1 ZINC001053945948 767423542 /nfs/dbraw/zinc/42/35/42/767423542.db2.gz KBQFXSWCSOKCJY-INIZCTEOSA-N 1 2 344.411 0.918 20 30 ECEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cn1 ZINC001106158622 767425615 /nfs/dbraw/zinc/42/56/15/767425615.db2.gz XNZZTBFLGCITHU-MGPQQGTHSA-N 1 2 326.360 0.369 20 30 ECEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cn1 ZINC001106158622 767425626 /nfs/dbraw/zinc/42/56/26/767425626.db2.gz XNZZTBFLGCITHU-MGPQQGTHSA-N 1 2 326.360 0.369 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3nncn3c1)CO2 ZINC001053955741 767445282 /nfs/dbraw/zinc/44/52/82/767445282.db2.gz QQKUNZUGWLBQJA-CQSZACIVSA-N 1 2 325.372 0.326 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cn3nccc3nc1C)CO2 ZINC001053970394 767493404 /nfs/dbraw/zinc/49/34/04/767493404.db2.gz LORYCTQBIAEYRE-AWEZNQCLSA-N 1 2 339.399 0.634 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnn(CC3CC3)c1)CO2 ZINC001053977029 767510451 /nfs/dbraw/zinc/51/04/51/767510451.db2.gz MUFWGBKMJPRSQW-MRXNPFEDSA-N 1 2 328.416 0.890 20 30 ECEDLO C#CCN1CC2(C1)C[C@@H](NC(=O)c1ccc(-n3cc[nH+]c3)cn1)CO2 ZINC001053979516 767517747 /nfs/dbraw/zinc/51/77/47/767517747.db2.gz SCOFLFREHLCVQS-CQSZACIVSA-N 1 2 337.383 0.474 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3nnc(C)n3C1)CO2 ZINC001054014469 767601041 /nfs/dbraw/zinc/60/10/41/767601041.db2.gz BHYOWBIKJDEMQJ-LSDHHAIUSA-N 1 2 345.447 0.685 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)N1CCCCC1=O)CO2 ZINC001054016408 767606178 /nfs/dbraw/zinc/60/61/78/767606178.db2.gz BUJOIKMQKUAEPX-GJZGRUSLSA-N 1 2 333.432 0.370 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)N1CCCCC1=O)CO2 ZINC001054016392 767606465 /nfs/dbraw/zinc/60/64/65/767606465.db2.gz BNZQRKXGNVDMAR-LSDHHAIUSA-N 1 2 335.448 0.923 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@]2(CC[N@H+](Cc3nnnn3C3CC3)C2)C1 ZINC001054101608 767690808 /nfs/dbraw/zinc/69/08/08/767690808.db2.gz BEMSRKHIMPGMPK-SUMWQHHRSA-N 1 2 343.435 0.982 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@]2(CC[N@@H+](Cc3nnnn3C3CC3)C2)C1 ZINC001054101608 767690810 /nfs/dbraw/zinc/69/08/10/767690810.db2.gz BEMSRKHIMPGMPK-SUMWQHHRSA-N 1 2 343.435 0.982 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@@H+]1Cc1cnnn1C ZINC000993204654 768464809 /nfs/dbraw/zinc/46/48/09/768464809.db2.gz RADQIGRKAJWVBD-NHYWBVRUSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@H+]1Cc1cnnn1C ZINC000993204654 768464813 /nfs/dbraw/zinc/46/48/13/768464813.db2.gz RADQIGRKAJWVBD-NHYWBVRUSA-N 1 2 327.392 0.798 20 30 ECEDLO CN(CCOCCNc1cncc(C#N)n1)C(=O)Cc1[nH]cc[nH+]1 ZINC001127358395 768473623 /nfs/dbraw/zinc/47/36/23/768473623.db2.gz XVZUDCUVNPCKFE-UHFFFAOYSA-N 1 2 329.364 0.201 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(CC(=O)NC)no2)C1 ZINC001054965170 768475891 /nfs/dbraw/zinc/47/58/91/768475891.db2.gz DEMHWNZYTYJDDN-VXGBXAGGSA-N 1 2 349.435 0.507 20 30 ECEDLO N#CCSCC(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001055183149 768639423 /nfs/dbraw/zinc/63/94/23/768639423.db2.gz ZBSVXRBVOOBFHM-TXEJJXNPSA-N 1 2 333.417 0.126 20 30 ECEDLO N#Cc1nccc(N[C@@H]2CC[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]32)n1 ZINC001060540619 768644376 /nfs/dbraw/zinc/64/43/76/768644376.db2.gz BDXJZOHGUWIQOP-RWMBFGLXSA-N 1 2 337.387 0.385 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001055224657 768683379 /nfs/dbraw/zinc/68/33/79/768683379.db2.gz OYBHVHCDCZLBKY-HRCADAONSA-N 1 2 346.431 0.781 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1CC[C@H](n2cc(C[NH2+]CCF)nn2)C1 ZINC001098789869 768724665 /nfs/dbraw/zinc/72/46/65/768724665.db2.gz KMJHYEOTRICGGH-OCCSQVGLSA-N 1 2 325.388 0.702 20 30 ECEDLO C#CCCCC(=O)N1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001055306902 768763633 /nfs/dbraw/zinc/76/36/33/768763633.db2.gz MSCSSMBRLKAYHZ-GASCZTMLSA-N 1 2 328.416 0.683 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1 ZINC001055363920 768815019 /nfs/dbraw/zinc/81/50/19/768815019.db2.gz KIYAPOOONVWFIG-YUELXQCFSA-N 1 2 337.387 0.550 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@@]2(C)C1 ZINC000993348749 768825038 /nfs/dbraw/zinc/82/50/38/768825038.db2.gz LQVBANOLCFBXIY-LBTNJELSSA-N 1 2 343.431 0.819 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001055379866 768837408 /nfs/dbraw/zinc/83/74/08/768837408.db2.gz WQQROOORTPKROC-MCIONIFRSA-N 1 2 332.404 0.460 20 30 ECEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001018170204 768847458 /nfs/dbraw/zinc/84/74/58/768847458.db2.gz SCKWZVUQNKWSAI-TXEJJXNPSA-N 1 2 328.376 0.283 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001018170204 768847470 /nfs/dbraw/zinc/84/74/70/768847470.db2.gz SCKWZVUQNKWSAI-TXEJJXNPSA-N 1 2 328.376 0.283 20 30 ECEDLO CCN(CCNc1ccc(C#N)nn1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001106798069 769014747 /nfs/dbraw/zinc/01/47/47/769014747.db2.gz LOGQNEANTFZOSU-UHFFFAOYSA-N 1 2 346.435 0.719 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)CC1 ZINC001018361989 769198443 /nfs/dbraw/zinc/19/84/43/769198443.db2.gz AUGUCMIHQCATIV-OAHLLOKOSA-N 1 2 345.447 0.603 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@]34C[C@H]3COC4)C2)CC1 ZINC001018366772 769214101 /nfs/dbraw/zinc/21/41/01/769214101.db2.gz NWODMEMMXFJZGG-BXWFABGCSA-N 1 2 347.459 0.592 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H]1C ZINC000993522124 769220047 /nfs/dbraw/zinc/22/00/47/769220047.db2.gz PIBHHEQOHFEQND-KGLIPLIRSA-N 1 2 342.871 0.482 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H]1C ZINC000993522124 769220052 /nfs/dbraw/zinc/22/00/52/769220052.db2.gz PIBHHEQOHFEQND-KGLIPLIRSA-N 1 2 342.871 0.482 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NCC[NH+]1CCC(NC(=O)c2cnn[nH]2)CC1 ZINC001055620943 769272419 /nfs/dbraw/zinc/27/24/19/769272419.db2.gz ZIWIYKKRLLVKEH-ZDUSSCGKSA-N 1 2 348.451 0.717 20 30 ECEDLO C[C@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001018439613 769349649 /nfs/dbraw/zinc/34/96/49/769349649.db2.gz JOBAWYZIZZZSNE-WCQYABFASA-N 1 2 340.387 0.961 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC3CC3)[C@@H]2C)nn1 ZINC000993948306 769927867 /nfs/dbraw/zinc/92/78/67/769927867.db2.gz IDGWYWSXFFARJR-TZMCWYRMSA-N 1 2 346.435 0.325 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NC3CC3)[C@@H]2C)nn1 ZINC000993948306 769927873 /nfs/dbraw/zinc/92/78/73/769927873.db2.gz IDGWYWSXFFARJR-TZMCWYRMSA-N 1 2 346.435 0.325 20 30 ECEDLO Cc1noc(C[NH2+]C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCCO2)n1 ZINC001078382844 782816662 /nfs/dbraw/zinc/81/66/62/782816662.db2.gz QCZBPZIGLCRRCN-ZDUSSCGKSA-N 1 2 344.375 0.599 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC3CC3)[C@@H]2C)nc1 ZINC000994261264 770484540 /nfs/dbraw/zinc/48/45/40/770484540.db2.gz ZWTTTXSBLAGPRV-CZUORRHYSA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NC3CC3)[C@@H]2C)nc1 ZINC000994261264 770484545 /nfs/dbraw/zinc/48/45/45/770484545.db2.gz ZWTTTXSBLAGPRV-CZUORRHYSA-N 1 2 340.427 0.924 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001055997969 770500577 /nfs/dbraw/zinc/50/05/77/770500577.db2.gz KTFBJOYFBRZWKD-CRAIPNDOSA-N 1 2 348.447 0.955 20 30 ECEDLO CC(C)C#CC(=O)N1CCC[C@@](CO)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001056019254 770569554 /nfs/dbraw/zinc/56/95/54/770569554.db2.gz GGYKUGREHRQHAJ-GOSISDBHSA-N 1 2 346.431 0.092 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC[C@@](CO)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001056032699 770621824 /nfs/dbraw/zinc/62/18/24/770621824.db2.gz PUVITFJIIDYDCH-GOSISDBHSA-N 1 2 348.447 0.943 20 30 ECEDLO C[C@@H](CC(=O)N1CCN(c2cncc(C#N)n2)CC1)n1cc[nH+]c1 ZINC001056039285 770646207 /nfs/dbraw/zinc/64/62/07/770646207.db2.gz KJEFEJTUPCKQQE-ZDUSSCGKSA-N 1 2 325.376 0.845 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N2CCN(c3nccnc3C#N)CC2)c[nH+]1 ZINC001056070151 770743878 /nfs/dbraw/zinc/74/38/78/770743878.db2.gz ZGJPUABZZBIDCG-UHFFFAOYSA-N 1 2 339.403 0.937 20 30 ECEDLO C=CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001056084909 770794867 /nfs/dbraw/zinc/79/48/67/770794867.db2.gz BDWWBARIWBOTGC-SFHVURJKSA-N 1 2 348.447 0.789 20 30 ECEDLO C=CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001056085308 770794926 /nfs/dbraw/zinc/79/49/26/770794926.db2.gz KJTCKVDUHALVCE-KRWDZBQOSA-N 1 2 334.420 0.709 20 30 ECEDLO C[C@H](C#N)C(=O)N[C@]1(CO)CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001056096180 770813691 /nfs/dbraw/zinc/81/36/91/770813691.db2.gz GIEGTHKSSDWJEJ-RHSMWYFYSA-N 1 2 347.419 0.293 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001019148431 770927831 /nfs/dbraw/zinc/92/78/31/770927831.db2.gz VMQOQELTEPOPEO-JHJVBQTASA-N 1 2 327.388 0.734 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001019148431 770927838 /nfs/dbraw/zinc/92/78/38/770927838.db2.gz VMQOQELTEPOPEO-JHJVBQTASA-N 1 2 327.388 0.734 20 30 ECEDLO C#CCCCCC(=O)N1CCC[C@](CO)(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001056166121 770974827 /nfs/dbraw/zinc/97/48/27/770974827.db2.gz ZIXDLRRVEXYACL-SFHVURJKSA-N 1 2 346.431 0.616 20 30 ECEDLO N#Cc1nccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCn3c[nH+]cc3C2)n1 ZINC001056327184 771130927 /nfs/dbraw/zinc/13/09/27/771130927.db2.gz QIZZAZYELKAHBX-HVOFVXBASA-N 1 2 349.398 0.358 20 30 ECEDLO N#Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cn1 ZINC001056333528 771139687 /nfs/dbraw/zinc/13/96/87/771139687.db2.gz MGMSCKQKVFAPFG-QTXLCTLRSA-N 1 2 348.410 0.963 20 30 ECEDLO C[C@H](C[C@H](C)Nc1ccnc(C#N)n1)NC(=O)CCn1cc[nH+]c1 ZINC001089444444 771202498 /nfs/dbraw/zinc/20/24/98/771202498.db2.gz PPBGFHCLYCLDRG-QWHCGFSZSA-N 1 2 327.392 0.752 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001019367296 771212181 /nfs/dbraw/zinc/21/21/81/771212181.db2.gz VHGSDDBCWMQJSR-KGLIPLIRSA-N 1 2 341.415 0.666 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056403727 771231636 /nfs/dbraw/zinc/23/16/36/771231636.db2.gz ZVENLCORWHCTIH-CVEARBPZSA-N 1 2 344.415 0.584 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCn4cc[nH+]c4C3)C2)nc1 ZINC000994601155 771276773 /nfs/dbraw/zinc/27/67/73/771276773.db2.gz KAZAIXBFQISZFE-AWEZNQCLSA-N 1 2 349.394 0.463 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)N3CCCCC3)C[C@@H]2O)C1 ZINC001083758820 771305687 /nfs/dbraw/zinc/30/56/87/771305687.db2.gz UTYXBUPHZAXEMX-XHSDSOJGSA-N 1 2 349.475 0.905 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)N3CCCCC3)C[C@@H]2O)C1 ZINC001083758820 771305692 /nfs/dbraw/zinc/30/56/92/771305692.db2.gz UTYXBUPHZAXEMX-XHSDSOJGSA-N 1 2 349.475 0.905 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060733682 771370784 /nfs/dbraw/zinc/37/07/84/771370784.db2.gz VJPNIANDBNQJHL-RBSFLKMASA-N 1 2 346.431 0.782 20 30 ECEDLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C#CC(C)C ZINC001212241429 771384052 /nfs/dbraw/zinc/38/40/52/771384052.db2.gz QOPJQJXKPYBLJH-ARFHVFGLSA-N 1 2 337.464 0.717 20 30 ECEDLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C#CC(C)C ZINC001212241429 771384057 /nfs/dbraw/zinc/38/40/57/771384057.db2.gz QOPJQJXKPYBLJH-ARFHVFGLSA-N 1 2 337.464 0.717 20 30 ECEDLO N#CCSCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056573881 771395629 /nfs/dbraw/zinc/39/56/29/771395629.db2.gz YZHZDAPPUMPLSX-KGLIPLIRSA-N 1 2 347.444 0.801 20 30 ECEDLO N#Cc1ccc(N2CCCO[C@@H](CNC(=O)Cn3cc[nH+]c3)C2)nc1 ZINC001089544185 771438594 /nfs/dbraw/zinc/43/85/94/771438594.db2.gz SRVADZNLDPHWTJ-HNNXBMFYSA-N 1 2 340.387 0.561 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]21 ZINC001056628459 771446873 /nfs/dbraw/zinc/44/68/73/771446873.db2.gz QNYSDONHZFJTAQ-GOEBONIOSA-N 1 2 346.431 0.994 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]21 ZINC001056628459 771446876 /nfs/dbraw/zinc/44/68/76/771446876.db2.gz QNYSDONHZFJTAQ-GOEBONIOSA-N 1 2 346.431 0.994 20 30 ECEDLO CCn1nnc(C)c1C[NH+]1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001031622410 771476368 /nfs/dbraw/zinc/47/63/68/771476368.db2.gz DLOGNPMENVJRLY-UHFFFAOYSA-N 1 2 327.392 0.668 20 30 ECEDLO N#Cc1cnc(N2CCCO[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)cn1 ZINC001089558603 771483105 /nfs/dbraw/zinc/48/31/05/771483105.db2.gz RKIMEVCXWWAUMH-CQSZACIVSA-N 1 2 341.375 0.026 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001056666268 771489096 /nfs/dbraw/zinc/48/90/96/771489096.db2.gz JTGOEBUPBLYWNY-IJEWVQPXSA-N 1 2 344.415 0.440 20 30 ECEDLO CCc1nc(C#N)cc(N[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)n1 ZINC001056670799 771496803 /nfs/dbraw/zinc/49/68/03/771496803.db2.gz TYEYHRWKZOCNNB-GFCCVEGCSA-N 1 2 339.403 0.900 20 30 ECEDLO C#CCOCCC(=O)N1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001056682932 771510168 /nfs/dbraw/zinc/51/01/68/771510168.db2.gz UDIBVURDNLKDMW-JKSUJKDBSA-N 1 2 344.415 0.372 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C#CC3CC3)[C@H](OC)C2)C1=O ZINC001212246281 771551488 /nfs/dbraw/zinc/55/14/88/771551488.db2.gz PQHBDWCCFLKZQQ-OWCLPIDISA-N 1 2 331.416 0.002 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C#CC3CC3)[C@H](OC)C2)C1=O ZINC001212246281 771551492 /nfs/dbraw/zinc/55/14/92/771551492.db2.gz PQHBDWCCFLKZQQ-OWCLPIDISA-N 1 2 331.416 0.002 20 30 ECEDLO N#Cc1nccnc1N[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001056724669 771559736 /nfs/dbraw/zinc/55/97/36/771559736.db2.gz FCPGNZGJZRJGJV-QWHCGFSZSA-N 1 2 337.387 0.820 20 30 ECEDLO N#Cc1cnc(N[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)cn1 ZINC001056724946 771559791 /nfs/dbraw/zinc/55/97/91/771559791.db2.gz UJGDDDRBXQNWFO-QWHCGFSZSA-N 1 2 337.387 0.820 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1C[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001056725187 771560027 /nfs/dbraw/zinc/56/00/27/771560027.db2.gz GMAZMBWOHALGND-JOQOYGCGSA-N 1 2 346.431 0.729 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1C[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001056725415 771560452 /nfs/dbraw/zinc/56/04/52/771560452.db2.gz PWOAMPAYPJNWJW-IJEWVQPXSA-N 1 2 346.431 0.993 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](Nc2ccncc2C#N)C1 ZINC001056781982 771633659 /nfs/dbraw/zinc/63/36/59/771633659.db2.gz YGCWUMVIWWJVJJ-RBSFLKMASA-N 1 2 336.399 0.925 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001042211159 782943836 /nfs/dbraw/zinc/94/38/36/782943836.db2.gz OEUZMAOTSGVVMJ-XHDPSFHLSA-N 1 2 330.363 0.605 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001042211159 782943844 /nfs/dbraw/zinc/94/38/44/782943844.db2.gz OEUZMAOTSGVVMJ-XHDPSFHLSA-N 1 2 330.363 0.605 20 30 ECEDLO C#CCOc1ncccc1C(=O)N1CC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001019673499 771702118 /nfs/dbraw/zinc/70/21/18/771702118.db2.gz WEXAQBTVJCXQBF-LBPRGKRZSA-N 1 2 343.412 0.949 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001019708406 771724366 /nfs/dbraw/zinc/72/43/66/771724366.db2.gz IHCVITKDFQFQDH-HNNXBMFYSA-N 1 2 339.399 0.023 20 30 ECEDLO Cc1cc(C#N)nc(N(C)[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)n1 ZINC001056942186 771839780 /nfs/dbraw/zinc/83/97/80/771839780.db2.gz RSWVMMYZQOOXLZ-AWEZNQCLSA-N 1 2 339.403 0.670 20 30 ECEDLO CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001056941955 771839803 /nfs/dbraw/zinc/83/98/03/771839803.db2.gz MNNPQOCTHGCHAV-ZDUSSCGKSA-N 1 2 325.376 0.362 20 30 ECEDLO CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001056952375 771857637 /nfs/dbraw/zinc/85/76/37/771857637.db2.gz IGLWAARULPKKEA-HNNXBMFYSA-N 1 2 339.403 0.752 20 30 ECEDLO CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001057059366 772011761 /nfs/dbraw/zinc/01/17/61/772011761.db2.gz QICFLLYIHKZOHG-CQSZACIVSA-N 1 2 325.376 0.741 20 30 ECEDLO CN(c1cnc(C#N)cn1)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001057059366 772011768 /nfs/dbraw/zinc/01/17/68/772011768.db2.gz QICFLLYIHKZOHG-CQSZACIVSA-N 1 2 325.376 0.741 20 30 ECEDLO CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001057074570 772041906 /nfs/dbraw/zinc/04/19/06/772041906.db2.gz KQHFENJNZJQLLH-CQSZACIVSA-N 1 2 339.403 0.752 20 30 ECEDLO C=CCCC(=O)N(CCO)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001057173979 772214394 /nfs/dbraw/zinc/21/43/94/772214394.db2.gz MJCKDKWUIKHTKW-UHFFFAOYSA-N 1 2 330.388 0.851 20 30 ECEDLO C=CCOc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnn(C)n3)C2)cc1 ZINC001020305705 772422300 /nfs/dbraw/zinc/42/23/00/772422300.db2.gz NVVHRDVGIIFKSR-HDJSIYSDSA-N 1 2 342.403 0.826 20 30 ECEDLO N#Cc1ccc(NCC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)nn1 ZINC001057545174 772741251 /nfs/dbraw/zinc/74/12/51/772741251.db2.gz PMJLUADEJZVPLB-UHFFFAOYSA-N 1 2 325.376 0.965 20 30 ECEDLO CC#CCCCC(=O)NCCN(CCO)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001057711173 772935452 /nfs/dbraw/zinc/93/54/52/772935452.db2.gz LLCDYRJFXRIGDP-HNNXBMFYSA-N 1 2 348.447 0.719 20 30 ECEDLO CC#CCCCC(=O)NCCN(CCO)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001057711173 772935454 /nfs/dbraw/zinc/93/54/54/772935454.db2.gz LLCDYRJFXRIGDP-HNNXBMFYSA-N 1 2 348.447 0.719 20 30 ECEDLO N#Cc1ccc(N2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)nn1 ZINC001057971332 773311900 /nfs/dbraw/zinc/31/19/00/773311900.db2.gz FOPWWXZYVNSMQD-ZIAGYGMSSA-N 1 2 337.387 0.960 20 30 ECEDLO N#Cc1ccc(N2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)nn1 ZINC001057971332 773311908 /nfs/dbraw/zinc/31/19/08/773311908.db2.gz FOPWWXZYVNSMQD-ZIAGYGMSSA-N 1 2 337.387 0.960 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCN(c2ccc(C#N)nn2)C1 ZINC001058182285 773720322 /nfs/dbraw/zinc/72/03/22/773720322.db2.gz XZKVKIVVIWNJCO-ZDUSSCGKSA-N 1 2 325.376 0.708 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NCCN(CCO)C(=O)Cc1[nH]c[nH+]c1C ZINC001058263290 773873577 /nfs/dbraw/zinc/87/35/77/773873577.db2.gz DKSWKEUAQPYAMS-AWEZNQCLSA-N 1 2 336.436 0.800 20 30 ECEDLO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)CCc1[nH+]ccn1C ZINC001058302512 773936641 /nfs/dbraw/zinc/93/66/41/773936641.db2.gz WHLWRANMFXOEDU-UHFFFAOYSA-N 1 2 336.436 0.502 20 30 ECEDLO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)Cc1c[nH+]ccc1OC ZINC001058306139 773942683 /nfs/dbraw/zinc/94/26/83/773942683.db2.gz WTVLPDQMYVCLAR-UHFFFAOYSA-N 1 2 349.431 0.782 20 30 ECEDLO C#CCCCC(=O)NCCN(CCO)C(=O)CCc1[nH+]ccn1C ZINC001058352975 774022151 /nfs/dbraw/zinc/02/21/51/774022151.db2.gz PKZMFQXWWWMCKX-UHFFFAOYSA-N 1 2 334.420 0.093 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C1 ZINC001058586287 774482080 /nfs/dbraw/zinc/48/20/80/774482080.db2.gz JWUKYNXYFBBXMC-ZDUSSCGKSA-N 1 2 338.371 0.689 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001045059078 774910964 /nfs/dbraw/zinc/91/09/64/774910964.db2.gz LOQOAZWJUACKOU-AWEZNQCLSA-N 1 2 348.447 0.645 20 30 ECEDLO N#Cc1nccnc1N1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001045061955 774917262 /nfs/dbraw/zinc/91/72/62/774917262.db2.gz KTTYPDUJZARANP-ZFWWWQNUSA-N 1 2 337.387 0.672 20 30 ECEDLO Cn1cc(C[NH+]2CCC(C)(NC(=O)c3cc(C#N)c[nH]3)CC2)nn1 ZINC001045399419 775541070 /nfs/dbraw/zinc/54/10/70/775541070.db2.gz KZBVXLOTYHLJOZ-UHFFFAOYSA-N 1 2 327.392 0.799 20 30 ECEDLO C[C@@H](c1nnnn1C)[NH+]1CCC(C)(NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001045411440 775556994 /nfs/dbraw/zinc/55/69/94/775556994.db2.gz FQNKTDMZEVIHAE-NSHDSACASA-N 1 2 342.407 0.755 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2ccncc2Cl)[C@@H](n2ccnn2)C1 ZINC001070025632 790370003 /nfs/dbraw/zinc/37/00/03/790370003.db2.gz AYYIHXFSROLPJG-CABCVRRESA-N 1 2 344.806 0.544 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2ccncc2Cl)[C@@H](n2ccnn2)C1 ZINC001070025632 790370016 /nfs/dbraw/zinc/37/00/16/790370016.db2.gz AYYIHXFSROLPJG-CABCVRRESA-N 1 2 344.806 0.544 20 30 ECEDLO C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001045458531 775640162 /nfs/dbraw/zinc/64/01/62/775640162.db2.gz DSIXDVIBXPUZRJ-CYBMUJFWSA-N 1 2 334.420 0.634 20 30 ECEDLO C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001045458531 775640171 /nfs/dbraw/zinc/64/01/71/775640171.db2.gz DSIXDVIBXPUZRJ-CYBMUJFWSA-N 1 2 334.420 0.634 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001044137646 775769601 /nfs/dbraw/zinc/76/96/01/775769601.db2.gz OXKXZYKWHXXUHE-UHFFFAOYSA-N 1 2 334.420 0.565 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2nncn2C)CC1 ZINC001045560840 775803496 /nfs/dbraw/zinc/80/34/96/775803496.db2.gz XNBKAVDIIXJOBF-KGLIPLIRSA-N 1 2 333.436 0.877 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+]([C@H](C)c2nnnn2C)CC1 ZINC001045563900 775805826 /nfs/dbraw/zinc/80/58/26/775805826.db2.gz QKSKDKJJGSKPRB-MCIONIFRSA-N 1 2 348.451 0.833 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)Cn2cc(Cl)cn2)[C@@H](n2ccnn2)C1 ZINC001070040840 790423993 /nfs/dbraw/zinc/42/39/93/790423993.db2.gz INIKOADTNNLIDA-KGLIPLIRSA-N 1 2 347.810 0.193 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)Cn2cc(Cl)cn2)[C@@H](n2ccnn2)C1 ZINC001070040840 790424000 /nfs/dbraw/zinc/42/40/00/790424000.db2.gz INIKOADTNNLIDA-KGLIPLIRSA-N 1 2 347.810 0.193 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001044672427 776615353 /nfs/dbraw/zinc/61/53/53/776615353.db2.gz CMUKDBNAGMDUIL-KGLIPLIRSA-N 1 2 348.447 0.500 20 30 ECEDLO C=CCOCC(=O)N1CC(N(CC)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001079852288 776977741 /nfs/dbraw/zinc/97/77/41/776977741.db2.gz DQIIASSULUOKCC-ZDUSSCGKSA-N 1 2 334.420 0.850 20 30 ECEDLO C=CCOCC(=O)N1CC(N(CC)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001079852288 776977747 /nfs/dbraw/zinc/97/77/47/776977747.db2.gz DQIIASSULUOKCC-ZDUSSCGKSA-N 1 2 334.420 0.850 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001079852472 776979919 /nfs/dbraw/zinc/97/99/19/776979919.db2.gz KMZZWMMEGHHKNY-ACJLOTCBSA-N 1 2 348.447 0.975 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001079852472 776979927 /nfs/dbraw/zinc/97/99/27/776979927.db2.gz KMZZWMMEGHHKNY-ACJLOTCBSA-N 1 2 348.447 0.975 20 30 ECEDLO CCN(C(=O)[C@H](C1CC1)[NH+]1CCOCC1)C1CN(C(=O)[C@H](C)C#N)C1 ZINC001079868339 777001186 /nfs/dbraw/zinc/00/11/86/777001186.db2.gz JYDQPJFSOHMTAT-CJNGLKHVSA-N 1 2 348.447 0.316 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)Cc2c[nH+]cn2C)C1 ZINC001080142693 777456657 /nfs/dbraw/zinc/45/66/57/777456657.db2.gz DZRMPWOFGMLYHF-ZDUSSCGKSA-N 1 2 334.420 0.613 20 30 ECEDLO C#CCOCCC(=O)N1CC(N(CC)C(=O)CCn2cc[nH+]c2)C1 ZINC001080167803 777493458 /nfs/dbraw/zinc/49/34/58/777493458.db2.gz DGYSAVCBGJXDCI-UHFFFAOYSA-N 1 2 332.404 0.372 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC(N(CC)C(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC001080351201 777734265 /nfs/dbraw/zinc/73/42/65/777734265.db2.gz QPJLHKQFQADWCJ-UHFFFAOYSA-N 1 2 337.383 0.702 20 30 ECEDLO CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001080415776 777820044 /nfs/dbraw/zinc/82/00/44/777820044.db2.gz DHVIQRKHYSKLPR-QWHCGFSZSA-N 1 2 329.404 0.664 20 30 ECEDLO C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001043206212 777957836 /nfs/dbraw/zinc/95/78/36/777957836.db2.gz ZJUXFQSCQQCRDS-UHFFFAOYSA-N 1 2 334.420 0.552 20 30 ECEDLO CC(C)C#CC(=O)NCC1(NC(=O)CCc2[nH]cc[nH+]2)CCOCC1 ZINC001070094398 790582170 /nfs/dbraw/zinc/58/21/70/790582170.db2.gz MGJLIYVXGIRZHW-UHFFFAOYSA-N 1 2 346.431 0.783 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001043228982 778014016 /nfs/dbraw/zinc/01/40/16/778014016.db2.gz XVBKUSUCJRJJLX-KBPBESRZSA-N 1 2 348.447 0.880 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001043228982 778014027 /nfs/dbraw/zinc/01/40/27/778014027.db2.gz XVBKUSUCJRJJLX-KBPBESRZSA-N 1 2 348.447 0.880 20 30 ECEDLO CC(=O)N1C[C@@H]([NH2+]Cc2cc(F)ccc2C#N)[C@@H](n2ccnn2)C1 ZINC001070110520 790637089 /nfs/dbraw/zinc/63/70/89/790637089.db2.gz VGVBWNMUNPGQMW-CVEARBPZSA-N 1 2 328.351 0.850 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1Nc1nccnc1C#N ZINC001043644997 778657615 /nfs/dbraw/zinc/65/76/15/778657615.db2.gz KCMTZVBHKCGAFF-TZMCWYRMSA-N 1 2 339.403 0.973 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001043675630 778702510 /nfs/dbraw/zinc/70/25/10/778702510.db2.gz VQCXRPDWIAOZLX-VXGBXAGGSA-N 1 2 332.404 0.415 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001043675630 778702517 /nfs/dbraw/zinc/70/25/17/778702517.db2.gz VQCXRPDWIAOZLX-VXGBXAGGSA-N 1 2 332.404 0.415 20 30 ECEDLO C#CCCCC(=O)N1CC2(C1)CC[C@H](CNC(=O)Cn1cc[nH+]c1)O2 ZINC001068591377 790654556 /nfs/dbraw/zinc/65/45/56/790654556.db2.gz SUQPJMXZAPAMIM-OAHLLOKOSA-N 1 2 344.415 0.563 20 30 ECEDLO O=C(C#CC1CC1)N1CC(O)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001043762772 778828086 /nfs/dbraw/zinc/82/80/86/778828086.db2.gz MRLUSUGJAWXRIC-UHFFFAOYSA-N 1 2 338.367 0.279 20 30 ECEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)O1 ZINC001068620450 790729576 /nfs/dbraw/zinc/72/95/76/790729576.db2.gz MTDMFFYSTQAYKY-QWHCGFSZSA-N 1 2 345.403 0.378 20 30 ECEDLO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)C[C@@H]21 ZINC001042273632 779958415 /nfs/dbraw/zinc/95/84/15/779958415.db2.gz UFRYPXBIIFBEFG-JSGCOSHPSA-N 1 2 342.403 0.180 20 30 ECEDLO C=CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)C[C@@H]21 ZINC001042273632 779958419 /nfs/dbraw/zinc/95/84/19/779958419.db2.gz UFRYPXBIIFBEFG-JSGCOSHPSA-N 1 2 342.403 0.180 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001078537816 780098918 /nfs/dbraw/zinc/09/89/18/780098918.db2.gz BENQKSBREOOPFH-ZNMIVQPWSA-N 1 2 334.420 0.875 20 30 ECEDLO C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001042632337 780562250 /nfs/dbraw/zinc/56/22/50/780562250.db2.gz FYKAMVXOOFCRRM-BPGGGUHBSA-N 1 2 337.387 0.816 20 30 ECEDLO C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001042632337 780562255 /nfs/dbraw/zinc/56/22/55/780562255.db2.gz FYKAMVXOOFCRRM-BPGGGUHBSA-N 1 2 337.387 0.816 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001079093156 780758312 /nfs/dbraw/zinc/75/83/12/780758312.db2.gz OVQNDIPRSBBQNC-MRXNPFEDSA-N 1 2 346.431 0.832 20 30 ECEDLO C#CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001042800950 780844691 /nfs/dbraw/zinc/84/46/91/780844691.db2.gz CJZFBOMJLCBAEQ-ZDUSSCGKSA-N 1 2 344.415 0.323 20 30 ECEDLO C=CCC1(C(=O)N2CC(O)(CNC(=O)CCc3[nH]cc[nH+]3)C2)CCC1 ZINC001042825954 780895947 /nfs/dbraw/zinc/89/59/47/780895947.db2.gz FLGZAGZILHGTKJ-UHFFFAOYSA-N 1 2 346.431 0.778 20 30 ECEDLO CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001042872953 780973402 /nfs/dbraw/zinc/97/34/02/780973402.db2.gz RQPWNTKLKFZWIL-CHWSQXEVSA-N 1 2 326.360 0.239 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 ZINC001042966154 781112464 /nfs/dbraw/zinc/11/24/64/781112464.db2.gz PDZGFAFGKFWFKQ-UHFFFAOYSA-N 1 2 346.431 0.092 20 30 ECEDLO C[C@@H](CC(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1)n1cc[nH+]c1 ZINC001042969985 781117779 /nfs/dbraw/zinc/11/77/79/781117779.db2.gz DXWFBIGVUNPDQK-AWEZNQCLSA-N 1 2 346.431 0.573 20 30 ECEDLO C=CCOCC(=O)N(CC)C1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001079493110 781179593 /nfs/dbraw/zinc/17/95/93/781179593.db2.gz YLLDZNRLMYLXFN-CQSZACIVSA-N 1 2 346.431 0.707 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2nc(C)ns2)C[C@H]1OC ZINC001043017347 781187424 /nfs/dbraw/zinc/18/74/24/781187424.db2.gz FEMYUCKEKQFLTA-HZSPNIEDSA-N 1 2 349.460 0.264 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2nc(C)ns2)C[C@H]1OC ZINC001043017347 781187426 /nfs/dbraw/zinc/18/74/26/781187426.db2.gz FEMYUCKEKQFLTA-HZSPNIEDSA-N 1 2 349.460 0.264 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C(=O)C(C)(C)C)C1 ZINC001079518374 781214241 /nfs/dbraw/zinc/21/42/41/781214241.db2.gz TUGTWKUTPMQQAG-HNNXBMFYSA-N 1 2 347.459 0.759 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)C(=O)C(C)(C)C)C1 ZINC001079518374 781214245 /nfs/dbraw/zinc/21/42/45/781214245.db2.gz TUGTWKUTPMQQAG-HNNXBMFYSA-N 1 2 347.459 0.759 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001079547082 781254198 /nfs/dbraw/zinc/25/41/98/781254198.db2.gz JLEUCKGHBSNPOB-OAHLLOKOSA-N 1 2 337.464 0.979 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001079547082 781254200 /nfs/dbraw/zinc/25/42/00/781254200.db2.gz JLEUCKGHBSNPOB-OAHLLOKOSA-N 1 2 337.464 0.979 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2C2CCCC2)C1 ZINC001077651133 781426487 /nfs/dbraw/zinc/42/64/87/781426487.db2.gz TYMCYBIRHCIIAW-HZPDHXFCSA-N 1 2 330.432 0.876 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2C2CCCC2)C1 ZINC001077651133 781426491 /nfs/dbraw/zinc/42/64/91/781426491.db2.gz TYMCYBIRHCIIAW-HZPDHXFCSA-N 1 2 330.432 0.876 20 30 ECEDLO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(S(C)(=O)=O)o2)C1 ZINC001077769462 781671202 /nfs/dbraw/zinc/67/12/02/781671202.db2.gz CXANSWGNLGASIV-GHMZBOCLSA-N 1 2 328.390 0.034 20 30 ECEDLO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(S(C)(=O)=O)o2)C1 ZINC001077769462 781671207 /nfs/dbraw/zinc/67/12/07/781671207.db2.gz CXANSWGNLGASIV-GHMZBOCLSA-N 1 2 328.390 0.034 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)CCc1[nH+]ccn1C ZINC001077791952 781705419 /nfs/dbraw/zinc/70/54/19/781705419.db2.gz HOXGSKBEDQTZNE-AWEZNQCLSA-N 1 2 334.420 0.404 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cnc(C)s3)C[C@H]2O)nn1 ZINC001077801060 781722380 /nfs/dbraw/zinc/72/23/80/781722380.db2.gz APHMISRDNYHPFQ-TZMCWYRMSA-N 1 2 348.432 0.204 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cnc(C)s3)C[C@H]2O)nn1 ZINC001077801060 781722385 /nfs/dbraw/zinc/72/23/85/781722385.db2.gz APHMISRDNYHPFQ-TZMCWYRMSA-N 1 2 348.432 0.204 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001077813647 781744378 /nfs/dbraw/zinc/74/43/78/781744378.db2.gz VOWIUKCFGKSYDF-AWEZNQCLSA-N 1 2 334.420 0.404 20 30 ECEDLO C[C@]1(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)CCOC1 ZINC001077901983 781905096 /nfs/dbraw/zinc/90/50/96/781905096.db2.gz MUBJJMQVVVMHGI-LMMKCTJWSA-N 1 2 328.412 0.626 20 30 ECEDLO C[C@]1(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)CCOC1 ZINC001077901983 781905103 /nfs/dbraw/zinc/90/51/03/781905103.db2.gz MUBJJMQVVVMHGI-LMMKCTJWSA-N 1 2 328.412 0.626 20 30 ECEDLO C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001040728668 783338318 /nfs/dbraw/zinc/33/83/18/783338318.db2.gz DBOFWWZKHBZAGR-KRWDZBQOSA-N 1 2 334.420 0.778 20 30 ECEDLO C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001040728668 783338326 /nfs/dbraw/zinc/33/83/26/783338326.db2.gz DBOFWWZKHBZAGR-KRWDZBQOSA-N 1 2 334.420 0.778 20 30 ECEDLO C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001040728983 783339768 /nfs/dbraw/zinc/33/97/68/783339768.db2.gz JQHVQPDHUHGCNQ-SFHVURJKSA-N 1 2 348.447 0.789 20 30 ECEDLO C#CCC1(C(=O)NC[C@]2(O)CCN(C(=O)Cc3[nH]cc[nH+]3)C2)CCC1 ZINC001040060758 783465953 /nfs/dbraw/zinc/46/59/53/783465953.db2.gz YQPNROFQVAZFSL-GOSISDBHSA-N 1 2 344.415 0.225 20 30 ECEDLO C[C@H]1[C@@H](Nc2ncccc2C#N)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001040070169 783481616 /nfs/dbraw/zinc/48/16/16/783481616.db2.gz GTULPQXLEACVAX-AEGPPILISA-N 1 2 329.404 0.685 20 30 ECEDLO C[C@H]1[C@@H](Nc2ncccc2C#N)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001040070169 783481620 /nfs/dbraw/zinc/48/16/20/783481620.db2.gz GTULPQXLEACVAX-AEGPPILISA-N 1 2 329.404 0.685 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]3CN(c4cc[nH+]c(C)n4)C[C@H]32)nn1 ZINC001040848612 783554590 /nfs/dbraw/zinc/55/45/90/783554590.db2.gz PYIIZWBHSAOPBP-DZGCQCFKSA-N 1 2 339.403 0.913 20 30 ECEDLO C=C(Cl)CN[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1n1ccnn1 ZINC001070328064 783835307 /nfs/dbraw/zinc/83/53/07/783835307.db2.gz LTMNQSAHORXMBB-KGLIPLIRSA-N 1 2 349.826 0.577 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)c2ccc(F)nc2)C1=O ZINC001038104279 783854886 /nfs/dbraw/zinc/85/48/86/783854886.db2.gz PJFOQKNXTPJACH-UONOGXRCSA-N 1 2 332.379 0.812 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)c2ccc(F)nc2)C1=O ZINC001038104279 783854894 /nfs/dbraw/zinc/85/48/94/783854894.db2.gz PJFOQKNXTPJACH-UONOGXRCSA-N 1 2 332.379 0.812 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)c2cnccc2C)C1=O ZINC001038135852 783901618 /nfs/dbraw/zinc/90/16/18/783901618.db2.gz DXSMIGFTCCFWLJ-GOEBONIOSA-N 1 2 328.416 0.981 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)c2cnccc2C)C1=O ZINC001038135852 783901624 /nfs/dbraw/zinc/90/16/24/783901624.db2.gz DXSMIGFTCCFWLJ-GOEBONIOSA-N 1 2 328.416 0.981 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001038176563 783952125 /nfs/dbraw/zinc/95/21/25/783952125.db2.gz AQWCDPSBMNQFST-QZTJIDSGSA-N 1 2 327.428 0.559 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001038176563 783952131 /nfs/dbraw/zinc/95/21/31/783952131.db2.gz AQWCDPSBMNQFST-QZTJIDSGSA-N 1 2 327.428 0.559 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1ncc[nH]1)C[C@H]2c1nnc(C)[nH]1 ZINC001070443164 784089003 /nfs/dbraw/zinc/08/90/03/784089003.db2.gz ZJXKDOXKVOQOEK-LBPRGKRZSA-N 1 2 325.376 0.011 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)/C=C/C1CC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070443813 784090702 /nfs/dbraw/zinc/09/07/02/784090702.db2.gz AOZHUFNKLDFAGG-LFAOLKIESA-N 1 2 325.416 0.940 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC1(F)F)C[C@H]2c1nnc(C)[nH]1 ZINC001070443872 784091470 /nfs/dbraw/zinc/09/14/70/784091470.db2.gz BLGHSFNEMSSTKD-RYUDHWBXSA-N 1 2 335.358 0.629 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1cncnc1)C[C@H]2c1nnc(C)[nH]1 ZINC001070444206 784093229 /nfs/dbraw/zinc/09/32/29/784093229.db2.gz KCRYJHRHNLWZQY-AWEZNQCLSA-N 1 2 337.387 0.078 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@@H](OC)C1CC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070446167 784099437 /nfs/dbraw/zinc/09/94/37/784099437.db2.gz VEYLQNYBBXJRQF-CABCVRRESA-N 1 2 343.431 0.399 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1nccs1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070450603 784109188 /nfs/dbraw/zinc/10/91/88/784109188.db2.gz LMOGMEHHYARHJZ-GFCCVEGCSA-N 1 2 342.428 0.744 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ncccn2)C1 ZINC001070476723 784159070 /nfs/dbraw/zinc/15/90/70/784159070.db2.gz XAVOVFAIGKXNCL-VNHYZAJKSA-N 1 2 339.403 0.454 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)CO[C@@H]2CCOC2)CC1 ZINC001070962137 784238745 /nfs/dbraw/zinc/23/87/45/784238745.db2.gz JURPKOFDLPCVGF-OAHLLOKOSA-N 1 2 339.436 0.019 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)CO[C@@H]2CCOC2)CC1 ZINC001070962137 784238755 /nfs/dbraw/zinc/23/87/55/784238755.db2.gz JURPKOFDLPCVGF-OAHLLOKOSA-N 1 2 339.436 0.019 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(CC)ccn2)CC1 ZINC001070966886 784255986 /nfs/dbraw/zinc/25/59/86/784255986.db2.gz RZUYPESICVBMEL-UHFFFAOYSA-N 1 2 342.443 0.931 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(CC)ccn2)CC1 ZINC001070966886 784255992 /nfs/dbraw/zinc/25/59/92/784255992.db2.gz RZUYPESICVBMEL-UHFFFAOYSA-N 1 2 342.443 0.931 20 30 ECEDLO C#CCN1CCNC(=O)CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001070980221 784307626 /nfs/dbraw/zinc/30/76/26/784307626.db2.gz VLTLANJPMCFPSG-UHFFFAOYSA-N 1 2 339.399 0.232 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001071014869 784418025 /nfs/dbraw/zinc/41/80/25/784418025.db2.gz IIPZRSKQQQTDOF-CXAGYDPISA-N 1 2 334.420 0.397 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2coc(CCC)n2)CC1 ZINC001071015680 784422178 /nfs/dbraw/zinc/42/21/78/784422178.db2.gz OZEILPBANIBYBA-UHFFFAOYSA-N 1 2 346.431 0.915 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2coc(CCC)n2)CC1 ZINC001071015680 784422182 /nfs/dbraw/zinc/42/21/82/784422182.db2.gz OZEILPBANIBYBA-UHFFFAOYSA-N 1 2 346.431 0.915 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2c(C)noc2CC)CC1 ZINC001071020605 784439501 /nfs/dbraw/zinc/43/95/01/784439501.db2.gz LOSRHGXFIPODRU-UHFFFAOYSA-N 1 2 346.431 0.833 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2c(C)noc2CC)CC1 ZINC001071020605 784439505 /nfs/dbraw/zinc/43/95/05/784439505.db2.gz LOSRHGXFIPODRU-UHFFFAOYSA-N 1 2 346.431 0.833 20 30 ECEDLO C[C@@H](C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1)n1cccn1 ZINC001070626253 784455341 /nfs/dbraw/zinc/45/53/41/784455341.db2.gz VIMSJAORZKARHU-BFHYXJOUSA-N 1 2 327.392 0.285 20 30 ECEDLO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2cncn2C)[nH]1 ZINC001070630249 784461299 /nfs/dbraw/zinc/46/12/99/784461299.db2.gz INEYXCAYXCLLGB-CYZMBNFOSA-N 1 2 342.407 0.091 20 30 ECEDLO Cc1[nH]nc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)c1C ZINC001070631755 784464949 /nfs/dbraw/zinc/46/49/49/784464949.db2.gz MMZMNDYOVFHATE-CHWSQXEVSA-N 1 2 327.392 0.481 20 30 ECEDLO N#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001071052461 784486050 /nfs/dbraw/zinc/48/60/50/784486050.db2.gz YPFBOVYJBRTSRZ-PBHICJAKSA-N 1 2 331.420 0.852 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H]1NCC#N ZINC001070662990 784519984 /nfs/dbraw/zinc/51/99/84/784519984.db2.gz GTVSXOLITZEVBJ-TZMCWYRMSA-N 1 2 339.403 0.353 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CCc2cncs2)C[C@H]1NCC#N ZINC001070688384 784553140 /nfs/dbraw/zinc/55/31/40/784553140.db2.gz CCTRGGPATPDZHA-ZIAGYGMSSA-N 1 2 344.444 0.917 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001070799109 784697152 /nfs/dbraw/zinc/69/71/52/784697152.db2.gz MISARIIRRDMZNU-LSDHHAIUSA-N 1 2 346.431 0.735 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001070799109 784697156 /nfs/dbraw/zinc/69/71/56/784697156.db2.gz MISARIIRRDMZNU-LSDHHAIUSA-N 1 2 346.431 0.735 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3ccccn3)C2)C(=O)C1 ZINC001071250064 784834229 /nfs/dbraw/zinc/83/42/29/784834229.db2.gz BOCJHBYHAMNJJJ-INIZCTEOSA-N 1 2 340.427 0.854 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3ccccn3)C2)C(=O)C1 ZINC001071250064 784834237 /nfs/dbraw/zinc/83/42/37/784834237.db2.gz BOCJHBYHAMNJJJ-INIZCTEOSA-N 1 2 340.427 0.854 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3cncs3)C2)C(=O)C1 ZINC001071257307 784860406 /nfs/dbraw/zinc/86/04/06/784860406.db2.gz WNDXGEOUNFZOEW-CQSZACIVSA-N 1 2 346.456 0.915 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3cncs3)C2)C(=O)C1 ZINC001071257307 784860409 /nfs/dbraw/zinc/86/04/09/784860409.db2.gz WNDXGEOUNFZOEW-CQSZACIVSA-N 1 2 346.456 0.915 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)Cc3cc[nH]n3)C2)C(=O)C1 ZINC001071258515 784862695 /nfs/dbraw/zinc/86/26/95/784862695.db2.gz JNSKHPBPBJFKSK-INIZCTEOSA-N 1 2 343.431 0.111 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)Cc3cc[nH]n3)C2)C(=O)C1 ZINC001071258515 784862698 /nfs/dbraw/zinc/86/26/98/784862698.db2.gz JNSKHPBPBJFKSK-INIZCTEOSA-N 1 2 343.431 0.111 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CCCCO3)C2)C(=O)C1 ZINC001071262661 784876442 /nfs/dbraw/zinc/87/64/42/784876442.db2.gz PXZVXGWRBYPZJE-IRXDYDNUSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CCCCO3)C2)C(=O)C1 ZINC001071262661 784876448 /nfs/dbraw/zinc/87/64/48/784876448.db2.gz PXZVXGWRBYPZJE-IRXDYDNUSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)Cc3ccoc3)C2)C(=O)C1 ZINC001071263013 784879626 /nfs/dbraw/zinc/87/96/26/784879626.db2.gz ZBTAYGMFOJPFOJ-KRWDZBQOSA-N 1 2 343.427 0.981 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)Cc3ccoc3)C2)C(=O)C1 ZINC001071263013 784879634 /nfs/dbraw/zinc/87/96/34/784879634.db2.gz ZBTAYGMFOJPFOJ-KRWDZBQOSA-N 1 2 343.427 0.981 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CC3(F)F)C2)C(=O)C1 ZINC001071264388 784885883 /nfs/dbraw/zinc/88/58/83/784885883.db2.gz VESPRDSGCDCSGF-KGLIPLIRSA-N 1 2 339.386 0.800 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CC3(F)F)C2)C(=O)C1 ZINC001071264388 784885890 /nfs/dbraw/zinc/88/58/90/784885890.db2.gz VESPRDSGCDCSGF-KGLIPLIRSA-N 1 2 339.386 0.800 20 30 ECEDLO C#CCCN1CCN([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C(=O)C1 ZINC001071278499 784925564 /nfs/dbraw/zinc/92/55/64/784925564.db2.gz DUFAWUCEJZUQNB-MRXNPFEDSA-N 1 2 343.431 0.042 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)CC[C@@H]1C ZINC001071549082 785285241 /nfs/dbraw/zinc/28/52/41/785285241.db2.gz OCYQDXUJFWGEOW-STQMWFEESA-N 1 2 349.884 0.744 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)CC[C@@H]1C ZINC001071549082 785285245 /nfs/dbraw/zinc/28/52/45/785285245.db2.gz OCYQDXUJFWGEOW-STQMWFEESA-N 1 2 349.884 0.744 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)CC[C@@H]1C ZINC001071894233 785285651 /nfs/dbraw/zinc/28/56/51/785285651.db2.gz XJSAFZLMRCWCQC-JQWIXIFHSA-N 1 2 327.812 0.761 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)CC[C@@H]1C ZINC001071894233 785285659 /nfs/dbraw/zinc/28/56/59/785285659.db2.gz XJSAFZLMRCWCQC-JQWIXIFHSA-N 1 2 327.812 0.761 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=O)NC)C1 ZINC001072006363 785515298 /nfs/dbraw/zinc/51/52/98/785515298.db2.gz SFEGDLKGICZQLO-KBPBESRZSA-N 1 2 344.415 0.422 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=O)NC)C1 ZINC001072006363 785515305 /nfs/dbraw/zinc/51/53/05/785515305.db2.gz SFEGDLKGICZQLO-KBPBESRZSA-N 1 2 344.415 0.422 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1NC(=O)CSCC#N ZINC001072316460 786029398 /nfs/dbraw/zinc/02/93/98/786029398.db2.gz CMJVMPYCAYFOFD-YPMHNXCESA-N 1 2 335.433 0.562 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1NC(=O)CSCC#N ZINC001072316460 786029402 /nfs/dbraw/zinc/02/94/02/786029402.db2.gz CMJVMPYCAYFOFD-YPMHNXCESA-N 1 2 335.433 0.562 20 30 ECEDLO C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1NC(=O)CSCC#N ZINC001072429306 786170033 /nfs/dbraw/zinc/17/00/33/786170033.db2.gz DYNFQZXZAIDMTB-VXGBXAGGSA-N 1 2 349.460 0.907 20 30 ECEDLO C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1NC(=O)CSCC#N ZINC001072429303 786170429 /nfs/dbraw/zinc/17/04/29/786170429.db2.gz DYNFQZXZAIDMTB-NEPJUHHUSA-N 1 2 349.460 0.907 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc4nc[nH]c4n3)C[C@H]21 ZINC001074273531 786562281 /nfs/dbraw/zinc/56/22/81/786562281.db2.gz KVJSIVLZLFUDDA-CVEARBPZSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc4nc[nH]c4n3)C[C@H]21 ZINC001074273531 786562287 /nfs/dbraw/zinc/56/22/87/786562287.db2.gz KVJSIVLZLFUDDA-CVEARBPZSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(C(N)=O)c3)C[C@H]21 ZINC001074278958 786575034 /nfs/dbraw/zinc/57/50/34/786575034.db2.gz CSLNFKOXVXLLOH-IAGOWNOFSA-N 1 2 341.411 0.724 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(C(N)=O)c3)C[C@H]21 ZINC001074278958 786575038 /nfs/dbraw/zinc/57/50/38/786575038.db2.gz CSLNFKOXVXLLOH-IAGOWNOFSA-N 1 2 341.411 0.724 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)nc3COC)C[C@H]21 ZINC001074279104 786575334 /nfs/dbraw/zinc/57/53/34/786575334.db2.gz FZVWALZJULEGTC-SJORKVTESA-N 1 2 346.431 0.505 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)nc3COC)C[C@H]21 ZINC001074279104 786575337 /nfs/dbraw/zinc/57/53/37/786575337.db2.gz FZVWALZJULEGTC-SJORKVTESA-N 1 2 346.431 0.505 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CN3CCCCC3=O)C[C@H]21 ZINC001074283669 786588312 /nfs/dbraw/zinc/58/83/12/786588312.db2.gz GFTYVOOREXWKTK-CVEARBPZSA-N 1 2 335.448 0.877 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CN3CCCCC3=O)C[C@H]21 ZINC001074283669 786588319 /nfs/dbraw/zinc/58/83/19/786588319.db2.gz GFTYVOOREXWKTK-CVEARBPZSA-N 1 2 335.448 0.877 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)COc3cnn(C)c3)C[C@H]21 ZINC001074322782 786672952 /nfs/dbraw/zinc/67/29/52/786672952.db2.gz XSWFFLGGAMTQSM-HZPDHXFCSA-N 1 2 334.420 0.677 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)COc3cnn(C)c3)C[C@H]21 ZINC001074322782 786672960 /nfs/dbraw/zinc/67/29/60/786672960.db2.gz XSWFFLGGAMTQSM-HZPDHXFCSA-N 1 2 334.420 0.677 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3ncccc3OC)C[C@H]21 ZINC001074322665 786673334 /nfs/dbraw/zinc/67/33/34/786673334.db2.gz XOXXFRHHRIMGEO-SJLPKXTDSA-N 1 2 343.427 0.958 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3ncccc3OC)C[C@H]21 ZINC001074322665 786673341 /nfs/dbraw/zinc/67/33/41/786673341.db2.gz XOXXFRHHRIMGEO-SJLPKXTDSA-N 1 2 343.427 0.958 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2cnnn2CC)C1 ZINC001073595136 786726884 /nfs/dbraw/zinc/72/68/84/786726884.db2.gz HVXNGQXEKHHSJV-GFCCVEGCSA-N 1 2 327.816 0.871 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2cnnn2CC)C1 ZINC001073595136 786726890 /nfs/dbraw/zinc/72/68/90/786726890.db2.gz HVXNGQXEKHHSJV-GFCCVEGCSA-N 1 2 327.816 0.871 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@@H]21 ZINC001074364530 786765104 /nfs/dbraw/zinc/76/51/04/786765104.db2.gz ZBNPSOCIWYAJFE-KBPBESRZSA-N 1 2 342.403 0.616 20 30 ECEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@@H]21 ZINC001074364530 786765108 /nfs/dbraw/zinc/76/51/08/786765108.db2.gz ZBNPSOCIWYAJFE-KBPBESRZSA-N 1 2 342.403 0.616 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@@H]21 ZINC001074404806 786875119 /nfs/dbraw/zinc/87/51/19/786875119.db2.gz IILVKRBKZZWOOZ-GJZGRUSLSA-N 1 2 330.388 0.052 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@@H]21 ZINC001074404806 786875130 /nfs/dbraw/zinc/87/51/30/786875130.db2.gz IILVKRBKZZWOOZ-GJZGRUSLSA-N 1 2 330.388 0.052 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCn3cc(C)cn3)C[C@H]21 ZINC001074415151 786912157 /nfs/dbraw/zinc/91/21/57/786912157.db2.gz LMMRHNPMBCUFHG-SJORKVTESA-N 1 2 330.432 0.907 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCn3cc(C)cn3)C[C@H]21 ZINC001074415151 786912165 /nfs/dbraw/zinc/91/21/65/786912165.db2.gz LMMRHNPMBCUFHG-SJORKVTESA-N 1 2 330.432 0.907 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCCO[C@H](CNC(=O)c3cnn[nH]3)C2)cc1 ZINC001073674490 786939206 /nfs/dbraw/zinc/93/92/06/786939206.db2.gz DXOSAEHZDIVKHL-OAHLLOKOSA-N 1 2 340.387 0.697 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCCO[C@H](CNC(=O)c3cnn[nH]3)C2)cc1 ZINC001073674490 786939210 /nfs/dbraw/zinc/93/92/10/786939210.db2.gz DXOSAEHZDIVKHL-OAHLLOKOSA-N 1 2 340.387 0.697 20 30 ECEDLO C#CCN1CCCO[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001073690758 786977342 /nfs/dbraw/zinc/97/73/42/786977342.db2.gz GNXRMUYDLRZLHD-INIZCTEOSA-N 1 2 339.399 0.721 20 30 ECEDLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1NC(=O)CSCC#N ZINC001073744884 787107441 /nfs/dbraw/zinc/10/74/41/787107441.db2.gz RQSQMCGTGPXTGA-GXTWGEPZSA-N 1 2 349.460 0.573 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1NC(=O)CSCC#N ZINC001073746857 787114937 /nfs/dbraw/zinc/11/49/37/787114937.db2.gz FEMHIVOZDNULNI-YPMHNXCESA-N 1 2 335.433 0.562 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001073748552 787121781 /nfs/dbraw/zinc/12/17/81/787121781.db2.gz GWMUTSDDPDRTGU-LLVKDONJSA-N 1 2 326.784 0.343 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001073748552 787121786 /nfs/dbraw/zinc/12/17/86/787121786.db2.gz GWMUTSDDPDRTGU-LLVKDONJSA-N 1 2 326.784 0.343 20 30 ECEDLO C=CCCC(=O)N1CCC(O)(CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001074510462 787128073 /nfs/dbraw/zinc/12/80/73/787128073.db2.gz DRDGIEFFYJKKOR-UHFFFAOYSA-N 1 2 334.420 0.778 20 30 ECEDLO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(CN3CCCC3)on2)C1 ZINC001073766438 787161515 /nfs/dbraw/zinc/16/15/15/787161515.db2.gz FYMMJRBLECJRCV-INIZCTEOSA-N 1 2 346.431 0.724 20 30 ECEDLO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(CN3CCCC3)on2)C1 ZINC001073766438 787161520 /nfs/dbraw/zinc/16/15/20/787161520.db2.gz FYMMJRBLECJRCV-INIZCTEOSA-N 1 2 346.431 0.724 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001073819594 787262095 /nfs/dbraw/zinc/26/20/95/787262095.db2.gz GVQPDARWDPNRDD-TZMCWYRMSA-N 1 2 334.420 0.816 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cn(CC)nn2)C1 ZINC001073837140 787317597 /nfs/dbraw/zinc/31/75/97/787317597.db2.gz LWHRBNFJSVJGTC-LBPRGKRZSA-N 1 2 327.816 0.871 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2cn(CC)nn2)C1 ZINC001073837140 787317605 /nfs/dbraw/zinc/31/76/05/787317605.db2.gz LWHRBNFJSVJGTC-LBPRGKRZSA-N 1 2 327.816 0.871 20 30 ECEDLO CC(C)(C)C#CC(=O)NCC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001074631838 787452896 /nfs/dbraw/zinc/45/28/96/787452896.db2.gz INEMHVJBORKBDE-UHFFFAOYSA-N 1 2 346.431 0.402 20 30 ECEDLO O=C(C#CC1CC1)NCC1(O)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001074651177 787511474 /nfs/dbraw/zinc/51/14/74/787511474.db2.gz YKQCLEQQYXKBIA-UHFFFAOYSA-N 1 2 344.415 0.156 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC(O)(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001074680161 787577194 /nfs/dbraw/zinc/57/71/94/787577194.db2.gz OUQWLDULRFEVSA-KBPBESRZSA-N 1 2 348.447 0.880 20 30 ECEDLO C=CCCCC(=O)N1CCC(O)(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001074698801 787631555 /nfs/dbraw/zinc/63/15/55/787631555.db2.gz HTRPSRVOBYYVJD-UHFFFAOYSA-N 1 2 334.420 0.709 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC001074038092 787737131 /nfs/dbraw/zinc/73/71/31/787737131.db2.gz CJLNMRNMTDQECQ-LSDHHAIUSA-N 1 2 334.420 0.829 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001074148796 787942606 /nfs/dbraw/zinc/94/26/06/787942606.db2.gz AVUKBEHJJODMHA-VXGBXAGGSA-N 1 2 335.433 0.562 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)CSCC#N)CCN1C(=O)Cc1c[nH+]cn1C ZINC001074844296 788422047 /nfs/dbraw/zinc/42/20/47/788422047.db2.gz YGAPBJMJNPDKCN-OLZOCXBDSA-N 1 2 349.460 0.715 20 30 ECEDLO Cn1ncc(C[N@@H+]2CCC3(CN(C(=O)c4ccc(C#N)[nH]4)C3)C2)n1 ZINC001072635079 788476348 /nfs/dbraw/zinc/47/63/48/788476348.db2.gz KXHDJPZYALOTFC-UHFFFAOYSA-N 1 2 325.376 0.363 20 30 ECEDLO Cn1ncc(C[N@H+]2CCC3(CN(C(=O)c4ccc(C#N)[nH]4)C3)C2)n1 ZINC001072635079 788476356 /nfs/dbraw/zinc/47/63/56/788476356.db2.gz KXHDJPZYALOTFC-UHFFFAOYSA-N 1 2 325.376 0.363 20 30 ECEDLO C=CCCOCC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001075043208 788788113 /nfs/dbraw/zinc/78/81/13/788788113.db2.gz JZHVYTWRENHWOC-CABCVRRESA-N 1 2 334.420 0.972 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001075081797 788869830 /nfs/dbraw/zinc/86/98/30/788869830.db2.gz NKZQXOFHADHTBR-KGLIPLIRSA-N 1 2 334.420 0.661 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001075083861 788873620 /nfs/dbraw/zinc/87/36/20/788873620.db2.gz NCHVIGMOVLEFJI-JKSUJKDBSA-N 1 2 346.431 0.809 20 30 ECEDLO CC1(NC(=O)Cn2cc[nH+]c2)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001072960795 789168483 /nfs/dbraw/zinc/16/84/83/789168483.db2.gz TYEVWSWDMRXTBR-UHFFFAOYSA-N 1 2 340.387 0.894 20 30 ECEDLO C=CCn1cc(C(=O)N2CC3(C2)CC[N@H+](Cc2ncccn2)C3)nn1 ZINC001073043128 789334184 /nfs/dbraw/zinc/33/41/84/789334184.db2.gz OLPHLQBWHTYTHQ-UHFFFAOYSA-N 1 2 339.403 0.602 20 30 ECEDLO C=CCn1cc(C(=O)N2CC3(C2)CC[N@@H+](Cc2ncccn2)C3)nn1 ZINC001073043128 789334189 /nfs/dbraw/zinc/33/41/89/789334189.db2.gz OLPHLQBWHTYTHQ-UHFFFAOYSA-N 1 2 339.403 0.602 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001073102969 789445558 /nfs/dbraw/zinc/44/55/58/789445558.db2.gz LTHKUSBZNUVAFV-CQSZACIVSA-N 1 2 346.431 0.878 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001073102969 789445560 /nfs/dbraw/zinc/44/55/60/789445560.db2.gz LTHKUSBZNUVAFV-CQSZACIVSA-N 1 2 346.431 0.878 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1CCC(C)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001073109375 789454668 /nfs/dbraw/zinc/45/46/68/789454668.db2.gz AWDZBNDINXPSIW-AWEZNQCLSA-N 1 2 334.420 0.972 20 30 ECEDLO C#CCOCCC(=O)NC1(C)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001073170104 789564977 /nfs/dbraw/zinc/56/49/77/789564977.db2.gz UTKVJZGJLCNHRA-UHFFFAOYSA-N 1 2 346.431 0.810 20 30 ECEDLO CC1(C)CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1NC(=O)CSCC#N ZINC001073318562 789730088 /nfs/dbraw/zinc/73/00/88/789730088.db2.gz RICYPYPQYUHEQS-ZDUSSCGKSA-N 1 2 349.460 0.883 20 30 ECEDLO N#Cc1nccnc1N1CC[C@]2(NC(=O)Cc3c[nH]c[nH+]3)CCC[C@H]12 ZINC001069291314 789735650 /nfs/dbraw/zinc/73/56/50/789735650.db2.gz KKGBFCBVFFBJEF-WMLDXEAASA-N 1 2 337.387 0.932 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCCN1c1nccnc1C#N ZINC001069376342 789783592 /nfs/dbraw/zinc/78/35/92/789783592.db2.gz WDCAYIDHKLGVFA-TZMCWYRMSA-N 1 2 339.403 0.798 20 30 ECEDLO C[C@H]1[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1c1cncc(C#N)n1 ZINC001069384516 789790000 /nfs/dbraw/zinc/79/00/00/789790000.db2.gz ZBLXPSMEDFFJOV-WCQYABFASA-N 1 2 325.376 0.788 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](CNc2ccnc(C#N)n2)C1 ZINC001069478453 789851560 /nfs/dbraw/zinc/85/15/60/789851560.db2.gz QPJNRGFEWRCXAS-OLZOCXBDSA-N 1 2 339.403 0.741 20 30 ECEDLO C=CCn1cc(C(=O)NCc2cnn3c2C[N@H+](CCC)CC3)nn1 ZINC001069877030 790139660 /nfs/dbraw/zinc/13/96/60/790139660.db2.gz ZLYIQJIMLCAXMJ-UHFFFAOYSA-N 1 2 329.408 0.816 20 30 ECEDLO C=CCn1cc(C(=O)NCc2cnn3c2C[N@@H+](CCC)CC3)nn1 ZINC001069877030 790139661 /nfs/dbraw/zinc/13/96/61/790139661.db2.gz ZLYIQJIMLCAXMJ-UHFFFAOYSA-N 1 2 329.408 0.816 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)n2cccn2)[C@@H](n2ccnn2)C1 ZINC001069898913 790167102 /nfs/dbraw/zinc/16/71/02/790167102.db2.gz FBEPACMIDSORGX-KFWWJZLASA-N 1 2 327.392 0.101 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)n2cccn2)[C@@H](n2ccnn2)C1 ZINC001069898913 790167105 /nfs/dbraw/zinc/16/71/05/790167105.db2.gz FBEPACMIDSORGX-KFWWJZLASA-N 1 2 327.392 0.101 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]2n2ccnn2)c[nH]1 ZINC001069911698 790180433 /nfs/dbraw/zinc/18/04/33/790180433.db2.gz JFZNTGKRPPNEQZ-BXHLDNEWSA-N 1 2 345.794 0.886 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]2n2ccnn2)c[nH]1 ZINC001069911698 790180434 /nfs/dbraw/zinc/18/04/34/790180434.db2.gz JFZNTGKRPPNEQZ-BXHLDNEWSA-N 1 2 345.794 0.886 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2c(Cl)cnn2C)[C@@H](n2ccnn2)C1 ZINC001069929182 790201195 /nfs/dbraw/zinc/20/11/95/790201195.db2.gz ZKIUSSHGUMKZOP-NEPJUHHUSA-N 1 2 335.799 0.506 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2c(Cl)cnn2C)[C@@H](n2ccnn2)C1 ZINC001069929182 790201199 /nfs/dbraw/zinc/20/11/99/790201199.db2.gz ZKIUSSHGUMKZOP-NEPJUHHUSA-N 1 2 335.799 0.506 20 30 ECEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccc(=O)n(C)c2)[C@@H](n2ccnn2)C1 ZINC001069967039 790254273 /nfs/dbraw/zinc/25/42/73/790254273.db2.gz JRMABLXNLAFUTJ-CABCVRRESA-N 1 2 342.403 0.208 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)n(C)c2)[C@@H](n2ccnn2)C1 ZINC001069967039 790254276 /nfs/dbraw/zinc/25/42/76/790254276.db2.gz JRMABLXNLAFUTJ-CABCVRRESA-N 1 2 342.403 0.208 20 30 ECEDLO CC(C)(C)C#CC(=O)N[C@H]1COC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001068865062 791298688 /nfs/dbraw/zinc/29/86/88/791298688.db2.gz RCKQKDHKVATBTO-CYBMUJFWSA-N 1 2 344.415 0.488 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1COC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001068976615 791534330 /nfs/dbraw/zinc/53/43/30/791534330.db2.gz ZKXRGSJYPKYVMG-HUUCEWRRSA-N 1 2 346.431 0.972 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1CC2(C1)C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)CO2 ZINC001068983389 791547825 /nfs/dbraw/zinc/54/78/25/791547825.db2.gz JJPBUFSKOYACAM-QWHCGFSZSA-N 1 2 348.403 0.029 20 30 ECEDLO CC(C)C#CC(=O)N1CC2(C1)C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)CO2 ZINC001069058275 791662915 /nfs/dbraw/zinc/66/29/15/791662915.db2.gz BMNJZZPFUNWLJC-CQSZACIVSA-N 1 2 330.388 0.098 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1CC2(C1)C[C@H](NC(=O)Cc1c[nH]c[nH+]1)CO2 ZINC001069057411 791662933 /nfs/dbraw/zinc/66/29/33/791662933.db2.gz GCMWKQGMVITWEY-OCCSQVGLSA-N 1 2 348.403 0.029 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](Nc2ccnc(C#N)n2)C[C@@H]1C ZINC001069129306 791727138 /nfs/dbraw/zinc/72/71/38/791727138.db2.gz HBACVMIKIFXPHA-CMPLNLGQSA-N 1 2 325.376 0.446 20 30 ECEDLO COCC(=O)N1CC[C@H]([NH+]2CCN(c3ncccc3C#N)CC2)C1 ZINC001066696281 792011416 /nfs/dbraw/zinc/01/14/16/792011416.db2.gz FZWWBGQHWJZCJM-HNNXBMFYSA-N 1 2 329.404 0.323 20 30 ECEDLO CSCC(=O)N1CC[C@H]([NH+]2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001066696453 792011629 /nfs/dbraw/zinc/01/16/29/792011629.db2.gz KKWJNXONYBZAQJ-AWEZNQCLSA-N 1 2 346.460 0.434 20 30 ECEDLO CO[C@H](C)C(=O)N1CC[C@H]([NH+]2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001066698081 792017368 /nfs/dbraw/zinc/01/73/68/792017368.db2.gz IHBDJTQOALZGHL-HIFRSBDPSA-N 1 2 344.419 0.106 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001066699002 792020638 /nfs/dbraw/zinc/02/06/38/792020638.db2.gz QWEORWPIOTXEGA-DZGCQCFKSA-N 1 2 339.403 0.231 20 30 ECEDLO CO[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCN(c3ccncc3C#N)CC2)C1 ZINC001066699245 792023826 /nfs/dbraw/zinc/02/38/26/792023826.db2.gz VEBFKQKXPFUXBT-GDBMZVCRSA-N 1 2 343.431 0.711 20 30 ECEDLO CC1(C(=O)N2CC[C@H]([NH+]3CCN(c4cnc(C#N)cn4)CC3)C2)CC1 ZINC001066709056 792035557 /nfs/dbraw/zinc/03/55/57/792035557.db2.gz OQNAIUMNRMYJJR-HNNXBMFYSA-N 1 2 340.431 0.871 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1)c1cnc(C#N)cn1 ZINC001067765832 792250926 /nfs/dbraw/zinc/25/09/26/792250926.db2.gz YNNGUWRAQATBOJ-AWEZNQCLSA-N 1 2 325.376 0.672 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1)c1cnc(C#N)cn1 ZINC001067765833 792251111 /nfs/dbraw/zinc/25/11/11/792251111.db2.gz YNNGUWRAQATBOJ-CQSZACIVSA-N 1 2 325.376 0.672 20 30 ECEDLO N#Cc1cncc(N[C@]2(CO)CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001066910748 792361673 /nfs/dbraw/zinc/36/16/73/792361673.db2.gz VFHSRPICXDZVHW-MRXNPFEDSA-N 1 2 341.375 0.079 20 30 ECEDLO C[C@@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067966100 792518791 /nfs/dbraw/zinc/51/87/91/792518791.db2.gz VNFBTMGGXDYJDH-OLZOCXBDSA-N 1 2 325.376 0.576 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1Nc1ccnc(C#N)n1 ZINC001067217565 792832080 /nfs/dbraw/zinc/83/20/80/792832080.db2.gz KBOBKOAZEZOTQK-AAEUAGOBSA-N 1 2 325.376 0.385 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1Nc1ccnc(C#N)n1 ZINC001067217565 792832090 /nfs/dbraw/zinc/83/20/90/792832090.db2.gz KBOBKOAZEZOTQK-AAEUAGOBSA-N 1 2 325.376 0.385 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1Nc1cncc(C#N)n1 ZINC001067220442 792837855 /nfs/dbraw/zinc/83/78/55/792837855.db2.gz WZEQBFMXYCKCGN-SMDDNHRTSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1Nc1cncc(C#N)n1 ZINC001067220442 792837863 /nfs/dbraw/zinc/83/78/63/792837863.db2.gz WZEQBFMXYCKCGN-SMDDNHRTSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@H]1C[C@H](CNc2nccnc2C#N)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001068347805 793095835 /nfs/dbraw/zinc/09/58/35/793095835.db2.gz NUUQJRQJDABFDK-NWDGAFQWSA-N 1 2 325.376 0.963 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001067431943 793148953 /nfs/dbraw/zinc/14/89/53/793148953.db2.gz ZIVCYAXVBAUZRW-GJZGRUSLSA-N 1 2 348.447 0.934 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001067431943 793148959 /nfs/dbraw/zinc/14/89/59/793148959.db2.gz ZIVCYAXVBAUZRW-GJZGRUSLSA-N 1 2 348.447 0.934 20 30 ECEDLO CC(C)C#CC(=O)N1CCOC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001068395183 793202290 /nfs/dbraw/zinc/20/22/90/793202290.db2.gz RPBFLPCCMDARAY-UHFFFAOYSA-N 1 2 344.415 0.372 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)CCO2 ZINC001068442042 793320541 /nfs/dbraw/zinc/32/05/41/793320541.db2.gz MTJFGXMBBLPMAS-ZIAGYGMSSA-N 1 2 346.431 0.850 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2nccc(C)n2)C1 ZINC001267541097 837726272 /nfs/dbraw/zinc/72/62/72/837726272.db2.gz VOCGQQCKLFXEKO-OAHLLOKOSA-N 1 2 343.431 0.461 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2nccc(C)n2)C1 ZINC001267541097 837726277 /nfs/dbraw/zinc/72/62/77/837726277.db2.gz VOCGQQCKLFXEKO-OAHLLOKOSA-N 1 2 343.431 0.461 20 30 ECEDLO O=C(C#CC1CC1)NCC[C@@H]1CC[N@@H+](CC(=O)Nc2nncs2)C1 ZINC001267555076 837760786 /nfs/dbraw/zinc/76/07/86/837760786.db2.gz CSRBLWHCWSCKNX-CYBMUJFWSA-N 1 2 347.444 0.718 20 30 ECEDLO O=C(C#CC1CC1)NCC[C@@H]1CC[N@H+](CC(=O)Nc2nncs2)C1 ZINC001267555076 837760795 /nfs/dbraw/zinc/76/07/95/837760795.db2.gz CSRBLWHCWSCKNX-CYBMUJFWSA-N 1 2 347.444 0.718 20 30 ECEDLO CC(C)[C@H](C(=O)N(C)CC[NH+]1CCN(CC#N)CC1)N1CCCC1=O ZINC001267577039 837834236 /nfs/dbraw/zinc/83/42/36/837834236.db2.gz DPRCMMYNCZGGDS-QGZVFWFLSA-N 1 2 349.479 0.233 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C(F)(F)F)C1 ZINC001266246357 835551144 /nfs/dbraw/zinc/55/11/44/835551144.db2.gz ODDTWPVGZSHEGV-LLVKDONJSA-N 1 2 333.354 0.905 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C(F)(F)F)C1 ZINC001266246357 835551151 /nfs/dbraw/zinc/55/11/51/835551151.db2.gz ODDTWPVGZSHEGV-LLVKDONJSA-N 1 2 333.354 0.905 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2cc(N(C)C)ccn2)C1 ZINC001266252680 835557755 /nfs/dbraw/zinc/55/77/55/835557755.db2.gz YIEIHKSIIIUWLM-AWEZNQCLSA-N 1 2 345.447 0.644 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2cc(N(C)C)ccn2)C1 ZINC001266252680 835557761 /nfs/dbraw/zinc/55/77/61/835557761.db2.gz YIEIHKSIIIUWLM-AWEZNQCLSA-N 1 2 345.447 0.644 20 30 ECEDLO CC#CC[NH+]1CCN(CCCNC(=O)c2ccc3nncn3c2)CC1 ZINC001266273138 835594987 /nfs/dbraw/zinc/59/49/87/835594987.db2.gz FZIXXFNQZYLIKY-UHFFFAOYSA-N 1 2 340.431 0.490 20 30 ECEDLO Cc1c[nH+]c2cc(C(=O)NCCN3CCN(CC#N)CC3)ccn12 ZINC001266285618 835620160 /nfs/dbraw/zinc/62/01/60/835620160.db2.gz GISLIFUPLQNOQX-UHFFFAOYSA-N 1 2 326.404 0.514 20 30 ECEDLO CC#CCN1CC[NH+](CCNC(=O)C[C@@H]2CCOC[C@@H]2OC)CC1 ZINC001266285951 835621736 /nfs/dbraw/zinc/62/17/36/835621736.db2.gz SSNDLMFWFRQIRE-IRXDYDNUSA-N 1 2 337.464 0.185 20 30 ECEDLO C=CC(C)(C)C(=O)NCC[NH+]1CCN(Cc2ccc(OC)nn2)CC1 ZINC001266290126 835634552 /nfs/dbraw/zinc/63/45/52/835634552.db2.gz OEXDBUCIRKGUNV-UHFFFAOYSA-N 1 2 347.463 0.931 20 30 ECEDLO CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CSCC#N)C1 ZINC001266302248 835663966 /nfs/dbraw/zinc/66/39/66/835663966.db2.gz MGHIFOZNAODJKX-CHWSQXEVSA-N 1 2 326.466 0.738 20 30 ECEDLO CCC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CSCC#N)C1 ZINC001266302248 835663970 /nfs/dbraw/zinc/66/39/70/835663970.db2.gz MGHIFOZNAODJKX-CHWSQXEVSA-N 1 2 326.466 0.738 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1CC[N@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC001266318010 835686677 /nfs/dbraw/zinc/68/66/77/835686677.db2.gz XMIXUPOAKFNCHF-HIFRSBDPSA-N 1 2 344.477 0.329 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1CC[N@@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC001266318010 835686682 /nfs/dbraw/zinc/68/66/82/835686682.db2.gz XMIXUPOAKFNCHF-HIFRSBDPSA-N 1 2 344.477 0.329 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001266322832 835697435 /nfs/dbraw/zinc/69/74/35/835697435.db2.gz OOHHADJCVLFUSS-UONOGXRCSA-N 1 2 333.436 0.960 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001266322832 835697440 /nfs/dbraw/zinc/69/74/40/835697440.db2.gz OOHHADJCVLFUSS-UONOGXRCSA-N 1 2 333.436 0.960 20 30 ECEDLO C=CCOCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001266328092 835708876 /nfs/dbraw/zinc/70/88/76/835708876.db2.gz SWAKOWGEZRVCAQ-KBPBESRZSA-N 1 2 330.450 0.204 20 30 ECEDLO C=CCOCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001266328092 835708883 /nfs/dbraw/zinc/70/88/83/835708883.db2.gz SWAKOWGEZRVCAQ-KBPBESRZSA-N 1 2 330.450 0.204 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001266336775 835720113 /nfs/dbraw/zinc/72/01/13/835720113.db2.gz VZSJHWITMJJMGX-STQMWFEESA-N 1 2 327.375 0.752 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001266336775 835720119 /nfs/dbraw/zinc/72/01/19/835720119.db2.gz VZSJHWITMJJMGX-STQMWFEESA-N 1 2 327.375 0.752 20 30 ECEDLO CC(C)[C@H](C(=O)NCC[N@H+](C)CC(=O)NCC#N)c1cccnc1 ZINC001266341707 835726777 /nfs/dbraw/zinc/72/67/77/835726777.db2.gz ACDVHPDPBCZTJE-INIZCTEOSA-N 1 2 331.420 0.509 20 30 ECEDLO CC(C)[C@H](C(=O)NCC[N@@H+](C)CC(=O)NCC#N)c1cccnc1 ZINC001266341707 835726780 /nfs/dbraw/zinc/72/67/80/835726780.db2.gz ACDVHPDPBCZTJE-INIZCTEOSA-N 1 2 331.420 0.509 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccc3nsnc32)C1 ZINC001266350925 835748104 /nfs/dbraw/zinc/74/81/04/835748104.db2.gz ZFJGCZVEMZVXJU-NSHDSACASA-N 1 2 345.428 0.798 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cccc3nsnc32)C1 ZINC001266350925 835748114 /nfs/dbraw/zinc/74/81/14/835748114.db2.gz ZFJGCZVEMZVXJU-NSHDSACASA-N 1 2 345.428 0.798 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(c3ccccc3)CC2)C1 ZINC001266356354 835760819 /nfs/dbraw/zinc/76/08/19/835760819.db2.gz UDPZFLHKIPKEEW-HNNXBMFYSA-N 1 2 326.400 0.548 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(c3ccccc3)CC2)C1 ZINC001266356354 835760824 /nfs/dbraw/zinc/76/08/24/835760824.db2.gz UDPZFLHKIPKEEW-HNNXBMFYSA-N 1 2 326.400 0.548 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)OCCO3)C1 ZINC001266358958 835765712 /nfs/dbraw/zinc/76/57/12/835765712.db2.gz KLAWGEKXSGRNTL-CQSZACIVSA-N 1 2 345.399 0.564 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)OCCO3)C1 ZINC001266358958 835765723 /nfs/dbraw/zinc/76/57/23/835765723.db2.gz KLAWGEKXSGRNTL-CQSZACIVSA-N 1 2 345.399 0.564 20 30 ECEDLO CCCN(C(=O)c1c[nH]c(C)n1)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC001266384526 835795462 /nfs/dbraw/zinc/79/54/62/835795462.db2.gz LSJYYTSREXMGHR-UHFFFAOYSA-N 1 2 346.435 0.675 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](C[N@@H+](C)Cc2nncn2C)C1 ZINC001266456054 835859256 /nfs/dbraw/zinc/85/92/56/835859256.db2.gz PUKAJEXPGDBHKN-WMLDXEAASA-N 1 2 335.452 0.813 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](C[N@H+](C)Cc2nncn2C)C1 ZINC001266456054 835859258 /nfs/dbraw/zinc/85/92/58/835859258.db2.gz PUKAJEXPGDBHKN-WMLDXEAASA-N 1 2 335.452 0.813 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@@H](C[N@@H+](C)Cc2nncn2C)C1 ZINC001266456055 835859363 /nfs/dbraw/zinc/85/93/63/835859363.db2.gz PUKAJEXPGDBHKN-YOEHRIQHSA-N 1 2 335.452 0.813 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@@H](C[N@H+](C)Cc2nncn2C)C1 ZINC001266456055 835859364 /nfs/dbraw/zinc/85/93/64/835859364.db2.gz PUKAJEXPGDBHKN-YOEHRIQHSA-N 1 2 335.452 0.813 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCc1ccco1 ZINC001266460866 835862901 /nfs/dbraw/zinc/86/29/01/835862901.db2.gz FMMXRSYLFQCMLM-KDOFPFPSSA-N 1 2 349.431 0.804 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@H]1CCC[N@H+]1CC(=O)NCc1ccco1 ZINC001266460866 835862908 /nfs/dbraw/zinc/86/29/08/835862908.db2.gz FMMXRSYLFQCMLM-KDOFPFPSSA-N 1 2 349.431 0.804 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ncc(C)cc1OC ZINC001266468323 835869575 /nfs/dbraw/zinc/86/95/75/835869575.db2.gz OBJJHFFORPTQHU-CQSZACIVSA-N 1 2 344.415 0.342 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ncc(C)cc1OC ZINC001266468323 835869583 /nfs/dbraw/zinc/86/95/83/835869583.db2.gz OBJJHFFORPTQHU-CQSZACIVSA-N 1 2 344.415 0.342 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1occ2c1CCOC2 ZINC001266474458 835877351 /nfs/dbraw/zinc/87/73/51/835877351.db2.gz OBXHTHRPIFLHPT-AWEZNQCLSA-N 1 2 347.415 0.849 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1occ2c1CCOC2 ZINC001266474458 835877354 /nfs/dbraw/zinc/87/73/54/835877354.db2.gz OBXHTHRPIFLHPT-AWEZNQCLSA-N 1 2 347.415 0.849 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](F)CC ZINC001266477776 835878485 /nfs/dbraw/zinc/87/84/85/835878485.db2.gz VHPTYOAZSUFFTF-NEPJUHHUSA-N 1 2 328.388 0.327 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](F)CC ZINC001266477776 835878490 /nfs/dbraw/zinc/87/84/90/835878490.db2.gz VHPTYOAZSUFFTF-NEPJUHHUSA-N 1 2 328.388 0.327 20 30 ECEDLO COCC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001266769810 836278846 /nfs/dbraw/zinc/27/88/46/836278846.db2.gz IRLJIZXOMFXFOW-LSDHHAIUSA-N 1 2 342.461 0.042 20 30 ECEDLO COCC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001266769810 836278851 /nfs/dbraw/zinc/27/88/51/836278851.db2.gz IRLJIZXOMFXFOW-LSDHHAIUSA-N 1 2 342.461 0.042 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1nccn1CC ZINC001266839944 836364945 /nfs/dbraw/zinc/36/49/45/836364945.db2.gz LUMPXMAQBBAXQA-CQSZACIVSA-N 1 2 333.436 0.790 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1nccn1CC ZINC001266839944 836364954 /nfs/dbraw/zinc/36/49/54/836364954.db2.gz LUMPXMAQBBAXQA-CQSZACIVSA-N 1 2 333.436 0.790 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2occc2[nH]1 ZINC001266842451 836368866 /nfs/dbraw/zinc/36/88/66/836368866.db2.gz OCRYAXCPUXVTDE-GFCCVEGCSA-N 1 2 343.387 0.985 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc2occc2[nH]1 ZINC001266842451 836368875 /nfs/dbraw/zinc/36/88/75/836368875.db2.gz OCRYAXCPUXVTDE-GFCCVEGCSA-N 1 2 343.387 0.985 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(OCC)n[nH]1 ZINC001266845049 836373842 /nfs/dbraw/zinc/37/38/42/836373842.db2.gz SRYIWCPXDZDBBZ-CYBMUJFWSA-N 1 2 349.435 0.695 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(OCC)n[nH]1 ZINC001266845049 836373854 /nfs/dbraw/zinc/37/38/54/836373854.db2.gz SRYIWCPXDZDBBZ-CYBMUJFWSA-N 1 2 349.435 0.695 20 30 ECEDLO C#Cc1cncc(C(=O)NCC[N@@H+](C)Cc2ccc(OC)nn2)c1 ZINC001267215982 837006520 /nfs/dbraw/zinc/00/65/20/837006520.db2.gz RPPNTUBCTYKVGV-UHFFFAOYSA-N 1 2 325.372 0.723 20 30 ECEDLO C#Cc1cncc(C(=O)NCC[N@H+](C)Cc2ccc(OC)nn2)c1 ZINC001267215982 837006527 /nfs/dbraw/zinc/00/65/27/837006527.db2.gz RPPNTUBCTYKVGV-UHFFFAOYSA-N 1 2 325.372 0.723 20 30 ECEDLO C=CCC1(C(=O)NCC[N@@H+](C)CC(=O)NC(C)C)CCOCC1 ZINC001267227656 837028581 /nfs/dbraw/zinc/02/85/81/837028581.db2.gz ZOJCQOOMKSODGV-UHFFFAOYSA-N 1 2 325.453 0.932 20 30 ECEDLO C=CCC1(C(=O)NCC[N@H+](C)CC(=O)NC(C)C)CCOCC1 ZINC001267227656 837028590 /nfs/dbraw/zinc/02/85/90/837028590.db2.gz ZOJCQOOMKSODGV-UHFFFAOYSA-N 1 2 325.453 0.932 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC001267230940 837035168 /nfs/dbraw/zinc/03/51/68/837035168.db2.gz IQWWAZGWQASDLT-DZGCQCFKSA-N 1 2 349.381 0.866 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC001267230940 837035182 /nfs/dbraw/zinc/03/51/82/837035182.db2.gz IQWWAZGWQASDLT-DZGCQCFKSA-N 1 2 349.381 0.866 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@@]1(C)OCCc2ccccc21 ZINC001267233023 837037266 /nfs/dbraw/zinc/03/72/66/837037266.db2.gz IQZZZDSACXUMMD-IBGZPJMESA-N 1 2 345.443 0.825 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@]1(C)OCCc2ccccc21 ZINC001267233023 837037277 /nfs/dbraw/zinc/03/72/77/837037277.db2.gz IQZZZDSACXUMMD-IBGZPJMESA-N 1 2 345.443 0.825 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(OC)nn1 ZINC001267266501 837104170 /nfs/dbraw/zinc/10/41/70/837104170.db2.gz FCTXVZWQQXWEIL-UKRRQHHQSA-N 1 2 332.404 0.604 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(OC)nn1 ZINC001267266501 837104175 /nfs/dbraw/zinc/10/41/75/837104175.db2.gz FCTXVZWQQXWEIL-UKRRQHHQSA-N 1 2 332.404 0.604 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CCc1ccsc1 ZINC001267268570 837104936 /nfs/dbraw/zinc/10/49/36/837104936.db2.gz ASZLCQRYBKTNPG-AWEZNQCLSA-N 1 2 334.445 0.901 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CCc1ccsc1 ZINC001267268570 837104940 /nfs/dbraw/zinc/10/49/40/837104940.db2.gz ASZLCQRYBKTNPG-AWEZNQCLSA-N 1 2 334.445 0.901 20 30 ECEDLO C#CC[NH+]1CCN(CCN(C)C(=O)Cc2c[nH]c3ncccc23)CC1 ZINC001267577793 837835714 /nfs/dbraw/zinc/83/57/14/837835714.db2.gz RROCGUMFRQEDFR-UHFFFAOYSA-N 1 2 339.443 0.815 20 30 ECEDLO C=CCOCC(=O)N(C)CC[NH+]1CCN(Cc2ncc(C)cn2)CC1 ZINC001267605996 837944162 /nfs/dbraw/zinc/94/41/62/837944162.db2.gz KBEWZBPDSUQOKW-UHFFFAOYSA-N 1 2 347.463 0.564 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCc2cccnc2)C1 ZINC001267628351 838082929 /nfs/dbraw/zinc/08/29/29/838082929.db2.gz YBPHTPNSRLPBPJ-INIZCTEOSA-N 1 2 330.432 0.897 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCc2cccnc2)C1 ZINC001267628351 838082944 /nfs/dbraw/zinc/08/29/44/838082944.db2.gz YBPHTPNSRLPBPJ-INIZCTEOSA-N 1 2 330.432 0.897 20 30 ECEDLO C=CCOCC[N@@H+]1CCC[C@H](NC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001267631478 838089779 /nfs/dbraw/zinc/08/97/79/838089779.db2.gz GCZCGCYPFUWWFU-HNNXBMFYSA-N 1 2 344.477 0.594 20 30 ECEDLO C=CCOCC[N@H+]1CCC[C@H](NC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001267631478 838089788 /nfs/dbraw/zinc/08/97/88/838089788.db2.gz GCZCGCYPFUWWFU-HNNXBMFYSA-N 1 2 344.477 0.594 20 30 ECEDLO C=CCOCC[NH+]1CC(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001267670647 838204787 /nfs/dbraw/zinc/20/47/87/838204787.db2.gz UTNMGTWSILLNRR-AWEZNQCLSA-N 1 2 335.448 0.781 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2cccnc2C(F)F)C1 ZINC001267686425 838249711 /nfs/dbraw/zinc/24/97/11/838249711.db2.gz OZDVPUHYLVCTNQ-UHFFFAOYSA-N 1 2 338.358 0.983 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2cc(F)ccc2OC)C1 ZINC001267687211 838250293 /nfs/dbraw/zinc/25/02/93/838250293.db2.gz YRPKIPRFXBHRGV-UHFFFAOYSA-N 1 2 335.379 0.798 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2ccc(C)c(C)n2)C1 ZINC001267687095 838250691 /nfs/dbraw/zinc/25/06/91/838250691.db2.gz XYFXPENYLZJEDO-CQSZACIVSA-N 1 2 328.416 0.498 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2cc(C)cn3ccnc23)C1 ZINC001267685548 838251747 /nfs/dbraw/zinc/25/17/47/838251747.db2.gz DLVASBBPCABNIU-UHFFFAOYSA-N 1 2 341.415 0.607 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2ccc(Cl)cn2)C1 ZINC001267697830 838287721 /nfs/dbraw/zinc/28/77/21/838287721.db2.gz QSGACIXJXTZWES-NSHDSACASA-N 1 2 334.807 0.535 20 30 ECEDLO C#CCOCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCNC(=O)NC(C)C ZINC001267707117 838314002 /nfs/dbraw/zinc/31/40/02/838314002.db2.gz ZZALOAPOPRDZLD-GJZGRUSLSA-N 1 2 336.436 0.019 20 30 ECEDLO C#CCOCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCNC(=O)NC(C)C ZINC001267707117 838314006 /nfs/dbraw/zinc/31/40/06/838314006.db2.gz ZZALOAPOPRDZLD-GJZGRUSLSA-N 1 2 336.436 0.019 20 30 ECEDLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CSCC#N)C1 ZINC001267719350 838372580 /nfs/dbraw/zinc/37/25/80/838372580.db2.gz WRYVCVGBFYSGIH-OLZOCXBDSA-N 1 2 326.466 0.594 20 30 ECEDLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CC[C@H](NC(=O)CSCC#N)C1 ZINC001267719350 838372588 /nfs/dbraw/zinc/37/25/88/838372588.db2.gz WRYVCVGBFYSGIH-OLZOCXBDSA-N 1 2 326.466 0.594 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CC[N@H+](CC(=O)NCc2ccc(F)cc2)C1 ZINC001267722713 838379141 /nfs/dbraw/zinc/37/91/41/838379141.db2.gz JGYKMUWOXYNZJC-INIZCTEOSA-N 1 2 349.406 0.835 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCc2ccc(F)cc2)C1 ZINC001267722713 838379138 /nfs/dbraw/zinc/37/91/38/838379138.db2.gz JGYKMUWOXYNZJC-INIZCTEOSA-N 1 2 349.406 0.835 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncnc3sccc32)C1 ZINC001267723516 838380870 /nfs/dbraw/zinc/38/08/70/838380870.db2.gz FFYHTPIXVGRQCN-NSHDSACASA-N 1 2 345.428 0.798 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncnc3sccc32)C1 ZINC001267723516 838380879 /nfs/dbraw/zinc/38/08/79/838380879.db2.gz FFYHTPIXVGRQCN-NSHDSACASA-N 1 2 345.428 0.798 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@H+](CC(=O)NCc2ccccc2)C1 ZINC001267724154 838384259 /nfs/dbraw/zinc/38/42/59/838384259.db2.gz QZOQVUXPQFYROB-WBVHZDCISA-N 1 2 343.427 0.532 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2)C1 ZINC001267724154 838384265 /nfs/dbraw/zinc/38/42/65/838384265.db2.gz QZOQVUXPQFYROB-WBVHZDCISA-N 1 2 343.427 0.532 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC001267740472 838440844 /nfs/dbraw/zinc/44/08/44/838440844.db2.gz HMRQLBDEHPZNQJ-DNVCBOLYSA-N 1 2 349.475 0.809 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC001267740472 838440849 /nfs/dbraw/zinc/44/08/49/838440849.db2.gz HMRQLBDEHPZNQJ-DNVCBOLYSA-N 1 2 349.475 0.809 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CC[N@H+](Cc2cc3n(n2)CCCC3)C1 ZINC001267741795 838443029 /nfs/dbraw/zinc/44/30/29/838443029.db2.gz NBFDMXMEOQUJRL-OAHLLOKOSA-N 1 2 330.432 0.950 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CC[N@@H+](Cc2cc3n(n2)CCCC3)C1 ZINC001267741795 838443035 /nfs/dbraw/zinc/44/30/35/838443035.db2.gz NBFDMXMEOQUJRL-OAHLLOKOSA-N 1 2 330.432 0.950 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ncccc2NC(C)=O)C1 ZINC001267743528 838445314 /nfs/dbraw/zinc/44/53/14/838445314.db2.gz WLXSNCLFCZJBJU-CYBMUJFWSA-N 1 2 345.403 0.146 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ncccc2NC(C)=O)C1 ZINC001267743528 838445316 /nfs/dbraw/zinc/44/53/16/838445316.db2.gz WLXSNCLFCZJBJU-CYBMUJFWSA-N 1 2 345.403 0.146 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cccc(F)c2F)C1 ZINC001267747884 838457077 /nfs/dbraw/zinc/45/70/77/838457077.db2.gz FPAAAIMUTJXUJU-VXGBXAGGSA-N 1 2 335.354 0.907 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cccc(F)c2F)C1 ZINC001267747884 838457080 /nfs/dbraw/zinc/45/70/80/838457080.db2.gz FPAAAIMUTJXUJU-VXGBXAGGSA-N 1 2 335.354 0.907 20 30 ECEDLO C=CCCOCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001267753549 838476308 /nfs/dbraw/zinc/47/63/08/838476308.db2.gz GCKNOYUIJZLKKD-LSDHHAIUSA-N 1 2 339.436 0.017 20 30 ECEDLO C=CCCOCC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001267753549 838476311 /nfs/dbraw/zinc/47/63/11/838476311.db2.gz GCKNOYUIJZLKKD-LSDHHAIUSA-N 1 2 339.436 0.017 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccnc2OC(C)C)C1 ZINC001267755747 838481207 /nfs/dbraw/zinc/48/12/07/838481207.db2.gz PRNUCXMNLOVQAN-CQSZACIVSA-N 1 2 344.415 0.422 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccnc2OC(C)C)C1 ZINC001267755747 838481211 /nfs/dbraw/zinc/48/12/11/838481211.db2.gz PRNUCXMNLOVQAN-CQSZACIVSA-N 1 2 344.415 0.422 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)CCCC)C2)nn1 ZINC001105165128 838704959 /nfs/dbraw/zinc/70/49/59/838704959.db2.gz NHUTZLMJFKNHJI-CYBMUJFWSA-N 1 2 346.435 0.079 20 30 ECEDLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CSCC#N)C1 ZINC001267910161 838778641 /nfs/dbraw/zinc/77/86/41/838778641.db2.gz SFSUNVOCZVUZTM-ZIAGYGMSSA-N 1 2 340.493 0.984 20 30 ECEDLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CSCC#N)C1 ZINC001267910161 838778648 /nfs/dbraw/zinc/77/86/48/838778648.db2.gz SFSUNVOCZVUZTM-ZIAGYGMSSA-N 1 2 340.493 0.984 20 30 ECEDLO N#CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)C1(CF)CCC1)CC2 ZINC001268045738 839209742 /nfs/dbraw/zinc/20/97/42/839209742.db2.gz HJBXRHXTEGNMJN-UHFFFAOYSA-N 1 2 336.411 0.690 20 30 ECEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000052442407 214128538 /nfs/dbraw/zinc/12/85/38/214128538.db2.gz BXALAGTXAVBGBO-ZBFHGGJFSA-N 1 2 343.431 0.759 20 30 ECEDLO C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108357 216349970 /nfs/dbraw/zinc/34/99/70/216349970.db2.gz AANOWCOJRAXZHB-HOCLYGCPSA-N 1 2 343.431 0.759 20 30 ECEDLO CCOC(=O)CN(C)C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000078640914 217093124 /nfs/dbraw/zinc/09/31/24/217093124.db2.gz RKGNMACLVVSMMV-UHFFFAOYSA-N 1 2 344.415 0.702 20 30 ECEDLO Cn1cc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)c(=O)n(C)c1=O ZINC000459623828 211848010 /nfs/dbraw/zinc/84/80/10/211848010.db2.gz ZFKBJOHKTWEZBB-UHFFFAOYSA-N 1 2 326.356 0.219 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccnc(Cl)c2)CC1 ZINC000264109222 246072836 /nfs/dbraw/zinc/07/28/36/246072836.db2.gz OMXKHDVFKGXOTH-UHFFFAOYSA-N 1 2 334.807 0.632 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccnc(Cl)c2)CC1 ZINC000264109222 246072841 /nfs/dbraw/zinc/07/28/41/246072841.db2.gz OMXKHDVFKGXOTH-UHFFFAOYSA-N 1 2 334.807 0.632 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000264193061 246163907 /nfs/dbraw/zinc/16/39/07/246163907.db2.gz QYQJIQOAZDLYOO-UHFFFAOYSA-N 1 2 335.354 0.862 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000264193061 246163914 /nfs/dbraw/zinc/16/39/14/246163914.db2.gz QYQJIQOAZDLYOO-UHFFFAOYSA-N 1 2 335.354 0.862 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(OCC)cc2)CC1 ZINC000264182384 246151482 /nfs/dbraw/zinc/15/14/82/246151482.db2.gz ONSUILPUPGRPFU-UHFFFAOYSA-N 1 2 343.427 0.983 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(OCC)cc2)CC1 ZINC000264182384 246151487 /nfs/dbraw/zinc/15/14/87/246151487.db2.gz ONSUILPUPGRPFU-UHFFFAOYSA-N 1 2 343.427 0.983 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2c(C)n[nH]c2C)CC1 ZINC000265075813 247181951 /nfs/dbraw/zinc/18/19/51/247181951.db2.gz WQIWFJQHDLIXDT-UHFFFAOYSA-N 1 2 345.447 0.243 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2c(C)n[nH]c2C)CC1 ZINC000265075813 247181956 /nfs/dbraw/zinc/18/19/56/247181956.db2.gz WQIWFJQHDLIXDT-UHFFFAOYSA-N 1 2 345.447 0.243 20 30 ECEDLO Cc1[nH]c(C#N)cc1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000448966445 211267402 /nfs/dbraw/zinc/26/74/02/211267402.db2.gz LHVSYNQNYUFBNL-UHFFFAOYSA-N 1 2 343.431 0.869 20 30 ECEDLO COCCN1CC[N@H+](CCC(=O)Nc2ccccc2C#N)CC1=O ZINC000091829043 218071560 /nfs/dbraw/zinc/07/15/60/218071560.db2.gz RROURNCMIBRWRP-UHFFFAOYSA-N 1 2 330.388 0.677 20 30 ECEDLO COCCN1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)CC1=O ZINC000091829043 218071562 /nfs/dbraw/zinc/07/15/62/218071562.db2.gz RROURNCMIBRWRP-UHFFFAOYSA-N 1 2 330.388 0.677 20 30 ECEDLO N#Cc1csc(C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 ZINC000092147874 218122969 /nfs/dbraw/zinc/12/29/69/218122969.db2.gz HBGQECAZMHFVAE-UHFFFAOYSA-N 1 2 346.412 0.413 20 30 ECEDLO C=CCOc1cccc(NC(=O)C(=O)N2CC[NH+](CCOC)CC2)c1 ZINC000267508450 251117004 /nfs/dbraw/zinc/11/70/04/251117004.db2.gz HLDXCIZADMNGSH-UHFFFAOYSA-N 1 2 347.415 0.981 20 30 ECEDLO C=CC[NH+](CC=C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC ZINC000268280052 251790340 /nfs/dbraw/zinc/79/03/40/251790340.db2.gz AVDDKAMDXRKABX-UHFFFAOYSA-N 1 2 339.417 0.955 20 30 ECEDLO N#Cc1ccc([C@H](O)C[NH+]2CCN(CC(=O)N3CCCC3)CC2)cc1 ZINC000268600717 252057566 /nfs/dbraw/zinc/05/75/66/252057566.db2.gz IJLHOPGLTWUUPI-GOSISDBHSA-N 1 2 342.443 0.832 20 30 ECEDLO N#Cc1ccc([C@H](O)CN2CC[NH+](CC(=O)N3CCCC3)CC2)cc1 ZINC000268600717 252057571 /nfs/dbraw/zinc/05/75/71/252057571.db2.gz IJLHOPGLTWUUPI-GOSISDBHSA-N 1 2 342.443 0.832 20 30 ECEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000171923858 254504266 /nfs/dbraw/zinc/50/42/66/254504266.db2.gz NCUUOELTFVBCLK-OAHLLOKOSA-N 1 2 337.468 0.135 20 30 ECEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000171923858 254504267 /nfs/dbraw/zinc/50/42/67/254504267.db2.gz NCUUOELTFVBCLK-OAHLLOKOSA-N 1 2 337.468 0.135 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)CC(=O)NCc1ccc(F)cc1 ZINC000078681726 254487102 /nfs/dbraw/zinc/48/71/02/254487102.db2.gz KSPKPRUAAPFOLF-UHFFFAOYSA-N 1 2 348.422 0.990 20 30 ECEDLO NC(CCO)=[NH+]OCC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000275584000 254542156 /nfs/dbraw/zinc/54/21/56/254542156.db2.gz ZVXZTEIODNIVGH-UHFFFAOYSA-N 1 2 334.376 0.101 20 30 ECEDLO CC(C)(CNC(=O)CN1C[C@@H]2COC[C@H](C1)O2)[NH+]1CCOCC1 ZINC000328682804 254590665 /nfs/dbraw/zinc/59/06/65/254590665.db2.gz OXKYQAOGTAHIJA-OKILXGFUSA-N 1 2 327.425 0.153 20 30 ECEDLO CC(C)(CNC(=O)CN1CCN2CCOC[C@H]2C1)[NH+]1CCOCC1 ZINC000329668141 254613913 /nfs/dbraw/zinc/61/39/13/254613913.db2.gz LSZUZHSVCXARQD-OAHLLOKOSA-N 1 2 340.468 0.070 20 30 ECEDLO N#CC1(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCOCC1 ZINC000376742053 254755859 /nfs/dbraw/zinc/75/58/59/254755859.db2.gz LMZLKOGTDBNOBJ-MRXNPFEDSA-N 1 2 339.461 0.631 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2nc(C)cc(C)n2)CC1 ZINC000272925150 135631313 /nfs/dbraw/zinc/63/13/13/135631313.db2.gz GHSZUVHCNCDEOG-AWEZNQCLSA-N 1 2 346.435 0.616 20 30 ECEDLO CC(C)n1cc(C#N)c(NC(=O)C(=O)NCC[N@@H+]2CCO[C@H](C)C2)n1 ZINC000540272141 421224319 /nfs/dbraw/zinc/22/43/19/421224319.db2.gz XPPCWZCEAKNOIS-GFCCVEGCSA-N 1 2 348.407 0.111 20 30 ECEDLO CC(C)n1cc(C#N)c(NC(=O)C(=O)NCC[N@H+]2CCO[C@H](C)C2)n1 ZINC000540272141 421224320 /nfs/dbraw/zinc/22/43/20/421224320.db2.gz XPPCWZCEAKNOIS-GFCCVEGCSA-N 1 2 348.407 0.111 20 30 ECEDLO CNC(=O)CC[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000025918674 263140396 /nfs/dbraw/zinc/14/03/96/263140396.db2.gz ODJALARQJBVUOF-UHFFFAOYSA-N 1 2 336.417 0.001 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC[N@@H+]1CCO ZINC000188731865 263162570 /nfs/dbraw/zinc/16/25/70/263162570.db2.gz UZUXUROYMUCBMI-LLVKDONJSA-N 1 2 343.836 0.899 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC[N@H+]1CCO ZINC000188731865 263162571 /nfs/dbraw/zinc/16/25/71/263162571.db2.gz UZUXUROYMUCBMI-LLVKDONJSA-N 1 2 343.836 0.899 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(CCCOC(=O)NC(N)=O)CC2)cc1 ZINC000299651997 270005790 /nfs/dbraw/zinc/00/57/90/270005790.db2.gz MASVAAOTPTVIQY-UHFFFAOYSA-N 1 2 345.403 0.871 20 30 ECEDLO Cc1onc(CC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c1C#N ZINC000354429203 270006787 /nfs/dbraw/zinc/00/67/87/270006787.db2.gz KBTGBHQRYIUIPA-UHFFFAOYSA-N 1 2 344.375 0.565 20 30 ECEDLO N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000523689028 270008000 /nfs/dbraw/zinc/00/80/00/270008000.db2.gz YCYBHXSXBYFJNW-UHFFFAOYSA-N 1 2 344.396 0.753 20 30 ECEDLO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000295656622 265074360 /nfs/dbraw/zinc/07/43/60/265074360.db2.gz HXOVHCVNQBZOON-AWEZNQCLSA-N 1 2 327.381 0.447 20 30 ECEDLO C[N@H+]1CCO[C@@H](CNS(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000295656622 265074365 /nfs/dbraw/zinc/07/43/65/265074365.db2.gz HXOVHCVNQBZOON-AWEZNQCLSA-N 1 2 327.381 0.447 20 30 ECEDLO CC(C)NC(=O)C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000365565179 265856617 /nfs/dbraw/zinc/85/66/17/265856617.db2.gz YIJLJNYFFIXEGW-UHFFFAOYSA-N 1 2 346.391 0.898 20 30 ECEDLO CC(C)NC(=O)C[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000365565179 265856624 /nfs/dbraw/zinc/85/66/24/265856624.db2.gz YIJLJNYFFIXEGW-UHFFFAOYSA-N 1 2 346.391 0.898 20 30 ECEDLO CCN1CCO[C@H](C[NH+]2CCN(c3nnc(C)c(C)c3C#N)CC2)C1 ZINC000363961253 266152716 /nfs/dbraw/zinc/15/27/16/266152716.db2.gz KUTWAZJAHSKEIO-INIZCTEOSA-N 1 2 344.463 0.808 20 30 ECEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000355293752 266154064 /nfs/dbraw/zinc/15/40/64/266154064.db2.gz FRPUAUUXIHGQAZ-HNNXBMFYSA-N 1 2 329.404 0.323 20 30 ECEDLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000355293752 266154066 /nfs/dbraw/zinc/15/40/66/266154066.db2.gz FRPUAUUXIHGQAZ-HNNXBMFYSA-N 1 2 329.404 0.323 20 30 ECEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000330534010 267139934 /nfs/dbraw/zinc/13/99/34/267139934.db2.gz UMGWTKHATVSTAE-LLVKDONJSA-N 1 2 336.417 0.638 20 30 ECEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000293358148 267156144 /nfs/dbraw/zinc/15/61/44/267156144.db2.gz JTXQPFMNMZCGCC-CQSZACIVSA-N 1 2 329.448 0.990 20 30 ECEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1[nH]cc[nH+]1 ZINC000360968343 267186685 /nfs/dbraw/zinc/18/66/85/267186685.db2.gz JAEIPPRUFFNFEJ-NSHDSACASA-N 1 2 347.400 0.307 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000343319280 267240101 /nfs/dbraw/zinc/24/01/01/267240101.db2.gz ZHLGZRSJDXOOCH-HRCADAONSA-N 1 2 342.447 0.722 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000343319280 267240103 /nfs/dbraw/zinc/24/01/03/267240103.db2.gz ZHLGZRSJDXOOCH-HRCADAONSA-N 1 2 342.447 0.722 20 30 ECEDLO COC(=O)C[C@@H]1C(=O)NCCN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000505751338 267366945 /nfs/dbraw/zinc/36/69/45/267366945.db2.gz QVVIMSCWYOXCKF-CYBMUJFWSA-N 1 2 327.344 0.069 20 30 ECEDLO N#Cc1ccc(C(=O)NCC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000366547962 268030709 /nfs/dbraw/zinc/03/07/09/268030709.db2.gz AHACDDNRXHWSMO-INIZCTEOSA-N 1 2 342.399 0.221 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)cc1 ZINC000295417150 268066676 /nfs/dbraw/zinc/06/66/76/268066676.db2.gz TWIVDIATCAIVLW-CQSZACIVSA-N 1 2 341.371 0.730 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)cc1 ZINC000295417150 268066678 /nfs/dbraw/zinc/06/66/78/268066678.db2.gz TWIVDIATCAIVLW-CQSZACIVSA-N 1 2 341.371 0.730 20 30 ECEDLO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)nc1 ZINC000293796669 268129584 /nfs/dbraw/zinc/12/95/84/268129584.db2.gz QYICMJNCQBSWCA-CQSZACIVSA-N 1 2 343.387 0.215 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CCc3cn[nH]c3)CC2)cc1 ZINC000289523163 268194133 /nfs/dbraw/zinc/19/41/33/268194133.db2.gz GDUXVCBWGMLUBM-UHFFFAOYSA-N 1 2 345.428 0.830 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)o1 ZINC000376239627 268203094 /nfs/dbraw/zinc/20/30/94/268203094.db2.gz CNDPPGTWSDHXIT-OCCSQVGLSA-N 1 2 339.417 0.930 20 30 ECEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cc1 ZINC000355104333 268213060 /nfs/dbraw/zinc/21/30/60/268213060.db2.gz MDWVGCVUVQGSMB-HUUCEWRRSA-N 1 2 327.388 0.621 20 30 ECEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cc1 ZINC000355104333 268213061 /nfs/dbraw/zinc/21/30/61/268213061.db2.gz MDWVGCVUVQGSMB-HUUCEWRRSA-N 1 2 327.388 0.621 20 30 ECEDLO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000528424212 268296161 /nfs/dbraw/zinc/29/61/61/268296161.db2.gz YFNFARJKQONKHZ-IRXDYDNUSA-N 1 2 331.416 0.704 20 30 ECEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@](O)(C(N)=O)C2)C1=O ZINC000286157877 268303541 /nfs/dbraw/zinc/30/35/41/268303541.db2.gz LSCPCOOVEFPWFE-ABAIWWIYSA-N 1 2 334.401 0.037 20 30 ECEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@](O)(C(N)=O)C2)C1=O ZINC000286157877 268303543 /nfs/dbraw/zinc/30/35/43/268303543.db2.gz LSCPCOOVEFPWFE-ABAIWWIYSA-N 1 2 334.401 0.037 20 30 ECEDLO N#Cc1ncn(CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)n1 ZINC000341479171 268333735 /nfs/dbraw/zinc/33/37/35/268333735.db2.gz DZKHXJNBFXZDLZ-HNNXBMFYSA-N 1 2 340.387 0.339 20 30 ECEDLO CC(=O)NCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000528731567 269571807 /nfs/dbraw/zinc/57/18/07/269571807.db2.gz YQHPLENCWYKNQL-UHFFFAOYSA-N 1 2 332.379 0.868 20 30 ECEDLO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000528731567 269571809 /nfs/dbraw/zinc/57/18/09/269571809.db2.gz YQHPLENCWYKNQL-UHFFFAOYSA-N 1 2 332.379 0.868 20 30 ECEDLO CCNC(=O)N1CC[NH+](CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000330713044 437597089 /nfs/dbraw/zinc/59/70/89/437597089.db2.gz YYLMQPDUNZSBPB-UHFFFAOYSA-N 1 2 325.413 0.463 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC000425495069 277866801 /nfs/dbraw/zinc/86/68/01/277866801.db2.gz YTDZRBMQUODJJU-MRVPVSSYSA-N 1 2 326.378 0.592 20 30 ECEDLO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000330192999 288134552 /nfs/dbraw/zinc/13/45/52/288134552.db2.gz AEFJXFNKNZIDOO-CHWSQXEVSA-N 1 2 345.465 0.273 20 30 ECEDLO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000330192999 288134555 /nfs/dbraw/zinc/13/45/55/288134555.db2.gz AEFJXFNKNZIDOO-CHWSQXEVSA-N 1 2 345.465 0.273 20 30 ECEDLO CC(C)(C#N)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000330752206 437604897 /nfs/dbraw/zinc/60/48/97/437604897.db2.gz ZSFBGAVHBVJHSZ-UHFFFAOYSA-N 1 2 329.404 0.786 20 30 ECEDLO CN(C)C(=O)c1cc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)ccn1 ZINC000329783101 289028450 /nfs/dbraw/zinc/02/84/50/289028450.db2.gz OFPSPJWVHXNYIR-UONOGXRCSA-N 1 2 333.392 0.344 20 30 ECEDLO CN(C)C(=O)c1cc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)ccn1 ZINC000329783101 289028452 /nfs/dbraw/zinc/02/84/52/289028452.db2.gz OFPSPJWVHXNYIR-UONOGXRCSA-N 1 2 333.392 0.344 20 30 ECEDLO COCCC[N@H+](CCO)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000189919690 437613534 /nfs/dbraw/zinc/61/35/34/437613534.db2.gz GLRKMRBINRNGPZ-UHFFFAOYSA-N 1 2 326.418 0.663 20 30 ECEDLO COCCC[N@@H+](CCO)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000189919690 437613539 /nfs/dbraw/zinc/61/35/39/437613539.db2.gz GLRKMRBINRNGPZ-UHFFFAOYSA-N 1 2 326.418 0.663 20 30 ECEDLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC[N@@H+]1CCO ZINC000190041064 437616278 /nfs/dbraw/zinc/61/62/78/437616278.db2.gz FIKYZFFXTBRTGI-NSHDSACASA-N 1 2 334.351 0.161 20 30 ECEDLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC[N@H+]1CCO ZINC000190041064 437616283 /nfs/dbraw/zinc/61/62/83/437616283.db2.gz FIKYZFFXTBRTGI-NSHDSACASA-N 1 2 334.351 0.161 20 30 ECEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000190046910 437618040 /nfs/dbraw/zinc/61/80/40/437618040.db2.gz MKHICFRNKWBJMB-ZDUSSCGKSA-N 1 2 330.388 0.330 20 30 ECEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000190046910 437618045 /nfs/dbraw/zinc/61/80/45/437618045.db2.gz MKHICFRNKWBJMB-ZDUSSCGKSA-N 1 2 330.388 0.330 20 30 ECEDLO C[C@H](NC(=O)N1CCO[C@]2(CCCOC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000329200862 297945968 /nfs/dbraw/zinc/94/59/68/297945968.db2.gz BPPLKVGEMROHFJ-YQQAZPJKSA-N 1 2 341.452 0.891 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+](CCCOC)[C@H]1CCS(=O)(=O)C1 ZINC000071119395 436004123 /nfs/dbraw/zinc/00/41/23/436004123.db2.gz QULROCPZHQFZLB-HNNXBMFYSA-N 1 2 346.493 0.937 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CCCOC)[C@H]1CCS(=O)(=O)C1 ZINC000071119395 436004126 /nfs/dbraw/zinc/00/41/26/436004126.db2.gz QULROCPZHQFZLB-HNNXBMFYSA-N 1 2 346.493 0.937 20 30 ECEDLO C#CCN(CC#C)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000072906968 436060639 /nfs/dbraw/zinc/06/06/39/436060639.db2.gz ZMPMDWDPUMOUKR-UHFFFAOYSA-N 1 2 339.439 0.908 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CC(=O)N(C)Cc2ccccc2)CC1 ZINC000023265221 436125253 /nfs/dbraw/zinc/12/52/53/436125253.db2.gz LRYYDHVKFYXHAW-UHFFFAOYSA-N 1 2 344.459 0.565 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)N3CCOCC3)CC2)cc1 ZINC000023289007 436125584 /nfs/dbraw/zinc/12/55/84/436125584.db2.gz MDEMMQKMHSTDHD-UHFFFAOYSA-N 1 2 328.416 0.535 20 30 ECEDLO N#Cc1ccc(CN2CC[NH+](CC(=O)N3CCOCC3)CC2)cc1 ZINC000023289007 436125591 /nfs/dbraw/zinc/12/55/91/436125591.db2.gz MDEMMQKMHSTDHD-UHFFFAOYSA-N 1 2 328.416 0.535 20 30 ECEDLO CN(C)S(=O)(=O)N1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000027429199 436176835 /nfs/dbraw/zinc/17/68/35/436176835.db2.gz YRAZDSZAYPAJKK-UHFFFAOYSA-N 1 2 338.433 0.361 20 30 ECEDLO CN(C)C(=O)N1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000076430474 436206241 /nfs/dbraw/zinc/20/62/41/436206241.db2.gz FESMXJSBQFJZKE-MRXNPFEDSA-N 1 2 346.431 0.792 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)CC(=O)NCc1ccccc1F ZINC000078720427 436274715 /nfs/dbraw/zinc/27/47/15/436274715.db2.gz RHUGYXGZPCDANA-UHFFFAOYSA-N 1 2 348.422 0.990 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(Cc2cc(C)on2)CC1 ZINC000043595207 436333142 /nfs/dbraw/zinc/33/31/42/436333142.db2.gz LYPOJBJTNGUWRP-ZDUSSCGKSA-N 1 2 335.408 0.501 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)CC(=O)NC(C1CC1)C1CC1 ZINC000081158208 436338506 /nfs/dbraw/zinc/33/85/06/436338506.db2.gz PDXRGCYUPSGBPQ-UHFFFAOYSA-N 1 2 334.464 0.839 20 30 ECEDLO CN(Cc1cn2ccccc2c1C#N)C[C@H](O)C[NH+]1CCOCC1 ZINC000083246580 436371257 /nfs/dbraw/zinc/37/12/57/436371257.db2.gz LCULISMIPUHNTF-INIZCTEOSA-N 1 2 328.416 0.936 20 30 ECEDLO C[C@@H](C#N)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000091268660 436448551 /nfs/dbraw/zinc/44/85/51/436448551.db2.gz XRNNVHXOEMRYKV-AWEZNQCLSA-N 1 2 343.431 0.648 20 30 ECEDLO Cn1cc(N2CCN(Cc3c[nH+]c4ccc(C#N)cn34)CC2=O)cn1 ZINC000093530418 436488094 /nfs/dbraw/zinc/48/80/94/436488094.db2.gz SRNPNFPPARYXTH-UHFFFAOYSA-N 1 2 335.371 0.788 20 30 ECEDLO CCn1c(N)c(C(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c(=O)[nH]c1=O ZINC000052580699 436510721 /nfs/dbraw/zinc/51/07/21/436510721.db2.gz LWDNDBSRNYBLEI-UHFFFAOYSA-N 1 2 341.371 0.325 20 30 ECEDLO CCn1c(N)c(C(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c(=O)[nH]c1=O ZINC000052580699 436510725 /nfs/dbraw/zinc/51/07/25/436510725.db2.gz LWDNDBSRNYBLEI-UHFFFAOYSA-N 1 2 341.371 0.325 20 30 ECEDLO CC(=O)NCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000053527072 436534623 /nfs/dbraw/zinc/53/46/23/436534623.db2.gz VBDQIOLIWJQDNP-UHFFFAOYSA-N 1 2 329.404 0.522 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cnc3sc(C)c(C)c3c2=O)CC1 ZINC000112920732 436634542 /nfs/dbraw/zinc/63/45/42/436634542.db2.gz XMQLKDQMRLXPSD-UHFFFAOYSA-N 1 2 344.440 0.852 20 30 ECEDLO CC(C)NC(=O)CON=C(N)c1cccc(C[NH+]2CCOCC2)c1 ZINC000063509824 436643884 /nfs/dbraw/zinc/64/38/84/436643884.db2.gz MFWAFIAZONKUSY-UHFFFAOYSA-N 1 2 334.420 0.680 20 30 ECEDLO N#Cc1ccc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cn1 ZINC000115337509 436646583 /nfs/dbraw/zinc/64/65/83/436646583.db2.gz CQJAKPKCVRRBLO-UHFFFAOYSA-N 1 2 337.387 0.295 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1nnnn1-c1ccccc1 ZINC000115604663 436647601 /nfs/dbraw/zinc/64/76/01/436647601.db2.gz KMONFOZQOPLEOA-RYUDHWBXSA-N 1 2 343.391 0.713 20 30 ECEDLO Cc1ccccc1[C@]1(C)NC(=O)N(C[C@@H](O)C[N@H+](C)CCC#N)C1=O ZINC000414156368 302226700 /nfs/dbraw/zinc/22/67/00/302226700.db2.gz UUSQBGXHDZZVRY-KSSFIOAISA-N 1 2 344.415 0.968 20 30 ECEDLO Cc1ccccc1[C@]1(C)NC(=O)N(C[C@@H](O)C[N@@H+](C)CCC#N)C1=O ZINC000414156368 302226702 /nfs/dbraw/zinc/22/67/02/302226702.db2.gz UUSQBGXHDZZVRY-KSSFIOAISA-N 1 2 344.415 0.968 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000269610945 436667954 /nfs/dbraw/zinc/66/79/54/436667954.db2.gz BCCQXHCUKOMLHW-CHWSQXEVSA-N 1 2 329.408 0.326 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000269610945 436667955 /nfs/dbraw/zinc/66/79/55/436667955.db2.gz BCCQXHCUKOMLHW-CHWSQXEVSA-N 1 2 329.408 0.326 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)CC1 ZINC000269869836 436668673 /nfs/dbraw/zinc/66/86/73/436668673.db2.gz MLLMTISCEPLYMP-CQSZACIVSA-N 1 2 338.433 0.174 20 30 ECEDLO COC(=O)CCc1nc(CO[NH+]=C(N)c2ccc3c(c2)CCO3)no1 ZINC000269872960 436669287 /nfs/dbraw/zinc/66/92/87/436669287.db2.gz NYPMRVGCHVLUOL-UHFFFAOYSA-N 1 2 346.343 0.947 20 30 ECEDLO C=CC[N@@H+](C[C@@H]1CC(C(=O)OC)=C(C)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000270464393 436673471 /nfs/dbraw/zinc/67/34/71/436673471.db2.gz PMDGSNGTJSVNCZ-OLZOCXBDSA-N 1 2 329.418 0.897 20 30 ECEDLO C=CC[N@H+](C[C@@H]1CC(C(=O)OC)=C(C)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000270464393 436673474 /nfs/dbraw/zinc/67/34/74/436673474.db2.gz PMDGSNGTJSVNCZ-OLZOCXBDSA-N 1 2 329.418 0.897 20 30 ECEDLO COc1cccc(C(N)=[NH+]OCC(=O)NCC(=O)OC(C)(C)C)c1 ZINC000272910369 436727849 /nfs/dbraw/zinc/72/78/49/436727849.db2.gz CNDPERDQZAXHPO-UHFFFAOYSA-N 1 2 337.376 0.790 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)CC(CC)CC)CC1 ZINC000123539625 436740121 /nfs/dbraw/zinc/74/01/21/436740121.db2.gz YSUDJBDENDIABM-UHFFFAOYSA-N 1 2 343.493 0.510 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)CC(CC)CC)CC1 ZINC000123539625 436740122 /nfs/dbraw/zinc/74/01/22/436740122.db2.gz YSUDJBDENDIABM-UHFFFAOYSA-N 1 2 343.493 0.510 20 30 ECEDLO CN(C)C(=O)C[N@@H+]1CCCN(S(=O)(=O)CCCCC#N)CC1 ZINC000068878208 436756544 /nfs/dbraw/zinc/75/65/44/436756544.db2.gz AIDWUXQCQYMAFK-UHFFFAOYSA-N 1 2 330.454 0.106 20 30 ECEDLO CN(C)C(=O)C[N@H+]1CCCN(S(=O)(=O)CCCCC#N)CC1 ZINC000068878208 436756547 /nfs/dbraw/zinc/75/65/47/436756547.db2.gz AIDWUXQCQYMAFK-UHFFFAOYSA-N 1 2 330.454 0.106 20 30 ECEDLO CCNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000245539325 436763555 /nfs/dbraw/zinc/76/35/55/436763555.db2.gz NSHLDQFGJPHWSC-GXTWGEPZSA-N 1 2 330.454 0.054 20 30 ECEDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000245539325 436763559 /nfs/dbraw/zinc/76/35/59/436763559.db2.gz NSHLDQFGJPHWSC-GXTWGEPZSA-N 1 2 330.454 0.054 20 30 ECEDLO C[N@H+](CCN1CCOCC1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156721297 436819226 /nfs/dbraw/zinc/81/92/26/436819226.db2.gz ITHMWHVGUMBPDJ-UHFFFAOYSA-N 1 2 337.445 0.596 20 30 ECEDLO C[N@@H+](CCN1CCOCC1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156721297 436819227 /nfs/dbraw/zinc/81/92/27/436819227.db2.gz ITHMWHVGUMBPDJ-UHFFFAOYSA-N 1 2 337.445 0.596 20 30 ECEDLO CNC(=O)[C@@H]1CCC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156737901 436821151 /nfs/dbraw/zinc/82/11/51/436821151.db2.gz BQDMVYBTLCAATC-CQSZACIVSA-N 1 2 335.429 0.790 20 30 ECEDLO CNC(=O)[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156737901 436821154 /nfs/dbraw/zinc/82/11/54/436821154.db2.gz BQDMVYBTLCAATC-CQSZACIVSA-N 1 2 335.429 0.790 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCC[C@H]2C(N)=O)CC1 ZINC000245968862 436770454 /nfs/dbraw/zinc/77/04/54/436770454.db2.gz FJNCHJVMSMBKDB-GJZGRUSLSA-N 1 2 335.452 0.019 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCCC[C@H]2C(N)=O)CC1 ZINC000245968862 436770456 /nfs/dbraw/zinc/77/04/56/436770456.db2.gz FJNCHJVMSMBKDB-GJZGRUSLSA-N 1 2 335.452 0.019 20 30 ECEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1 ZINC000155205927 436791711 /nfs/dbraw/zinc/79/17/11/436791711.db2.gz DBPSTDXHOXEEFP-GJZGRUSLSA-N 1 2 330.436 0.995 20 30 ECEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1 ZINC000155205927 436791713 /nfs/dbraw/zinc/79/17/13/436791713.db2.gz DBPSTDXHOXEEFP-GJZGRUSLSA-N 1 2 330.436 0.995 20 30 ECEDLO COCCN(CCC#N)S(=O)(=O)NCc1c[nH+]ccc1OC ZINC000293099944 436850052 /nfs/dbraw/zinc/85/00/52/436850052.db2.gz WJZGZSRIISHELS-UHFFFAOYSA-N 1 2 328.394 0.287 20 30 ECEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000274613399 436851618 /nfs/dbraw/zinc/85/16/18/436851618.db2.gz PGPZXJKDRVDEJP-SOUVJXGZSA-N 1 2 347.415 0.758 20 30 ECEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1C[C@H](O)C[C@H]1CO ZINC000274613399 436851624 /nfs/dbraw/zinc/85/16/24/436851624.db2.gz PGPZXJKDRVDEJP-SOUVJXGZSA-N 1 2 347.415 0.758 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)C(=O)Nc2cc(OC)ccc2OC)CC1 ZINC000274641970 436855059 /nfs/dbraw/zinc/85/50/59/436855059.db2.gz FKVJXRDFTBMSBD-UHFFFAOYSA-N 1 2 345.399 0.810 20 30 ECEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)N2CCN(C(C)=O)CC2)n1 ZINC000279724197 436835214 /nfs/dbraw/zinc/83/52/14/436835214.db2.gz MEWPLJBTZBRSLS-OAHLLOKOSA-N 1 2 345.447 0.417 20 30 ECEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)N2CCN(C(C)=O)CC2)n1 ZINC000279724197 436835218 /nfs/dbraw/zinc/83/52/18/436835218.db2.gz MEWPLJBTZBRSLS-OAHLLOKOSA-N 1 2 345.447 0.417 20 30 ECEDLO C#CCOc1ccccc1NC(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000274842605 436881379 /nfs/dbraw/zinc/88/13/79/436881379.db2.gz BSMHHDYWKHLHCP-UHFFFAOYSA-N 1 2 345.399 0.428 20 30 ECEDLO N#CCCN(CCN1CCOCC1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161899175 436897566 /nfs/dbraw/zinc/89/75/66/436897566.db2.gz JDEUOWURWPLDRN-HNNXBMFYSA-N 1 2 331.420 0.520 20 30 ECEDLO C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)[nH+]c2C)C1=O ZINC000281446151 436970769 /nfs/dbraw/zinc/97/07/69/436970769.db2.gz MOWBOPGCNDNEMD-AWEZNQCLSA-N 1 2 330.388 0.882 20 30 ECEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000171144209 436970827 /nfs/dbraw/zinc/97/08/27/436970827.db2.gz SQZPVUKWFRKUHQ-AWEZNQCLSA-N 1 2 349.435 0.929 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000171394405 436977866 /nfs/dbraw/zinc/97/78/66/436977866.db2.gz CXYNLVLBOCIFPD-HNNXBMFYSA-N 1 2 336.480 0.744 20 30 ECEDLO COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)O[NH+]=C(N)CCO)c1 ZINC000275531851 436980879 /nfs/dbraw/zinc/98/08/79/436980879.db2.gz QNKPXIWEIQDDEJ-GHMZBOCLSA-N 1 2 339.392 0.941 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(CCC)on2)CC1 ZINC000294474416 436958769 /nfs/dbraw/zinc/95/87/69/436958769.db2.gz FKNWWPODRXGTTK-UHFFFAOYSA-N 1 2 332.404 0.524 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(CCC)on2)CC1 ZINC000294474416 436958772 /nfs/dbraw/zinc/95/87/72/436958772.db2.gz FKNWWPODRXGTTK-UHFFFAOYSA-N 1 2 332.404 0.524 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000172523532 437017582 /nfs/dbraw/zinc/01/75/82/437017582.db2.gz USEIDPRSRXUYMI-MRXNPFEDSA-N 1 2 342.399 0.221 20 30 ECEDLO C=CCN(CCc1ccco1)C(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000297921558 437019986 /nfs/dbraw/zinc/01/99/86/437019986.db2.gz XVFZTGUUTBTJKL-UHFFFAOYSA-N 1 2 349.431 0.627 20 30 ECEDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000298107774 437027086 /nfs/dbraw/zinc/02/70/86/437027086.db2.gz VEOWVXTXWALUAN-AWEZNQCLSA-N 1 2 344.371 0.250 20 30 ECEDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000298107774 437027089 /nfs/dbraw/zinc/02/70/89/437027089.db2.gz VEOWVXTXWALUAN-AWEZNQCLSA-N 1 2 344.371 0.250 20 30 ECEDLO N#CCOc1cccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000299340523 437070465 /nfs/dbraw/zinc/07/04/65/437070465.db2.gz KPLMGZQBCXGQOL-UHFFFAOYSA-N 1 2 328.372 0.834 20 30 ECEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000299337538 437071187 /nfs/dbraw/zinc/07/11/87/437071187.db2.gz QDKWSCDARDRHPN-ZIAGYGMSSA-N 1 2 347.440 0.468 20 30 ECEDLO CN(C)S(=O)(=O)CC[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000285372213 437078192 /nfs/dbraw/zinc/07/81/92/437078192.db2.gz CBWBGTWTZITIIF-INIZCTEOSA-N 1 2 336.461 0.760 20 30 ECEDLO N#CC1(C(=O)N2CC[NH+](C3(C(N)=O)CCCC3)CC2)CCOCC1 ZINC000377613962 303139994 /nfs/dbraw/zinc/13/99/94/303139994.db2.gz FXEGUHYHBVCCEK-UHFFFAOYSA-N 1 2 334.420 0.249 20 30 ECEDLO CN1C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC[C@@H]21 ZINC000285723337 437081271 /nfs/dbraw/zinc/08/12/71/437081271.db2.gz JYDHECMBFZFUPA-PMPSAXMXSA-N 1 2 339.399 0.761 20 30 ECEDLO CN1C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC[C@@H]21 ZINC000285723337 437081274 /nfs/dbraw/zinc/08/12/74/437081274.db2.gz JYDHECMBFZFUPA-PMPSAXMXSA-N 1 2 339.399 0.761 20 30 ECEDLO C#Cc1cccc(NC(=O)CNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)c1 ZINC000264848755 437094443 /nfs/dbraw/zinc/09/44/43/437094443.db2.gz MPBABTDCOHKDLT-MRXNPFEDSA-N 1 2 343.431 0.151 20 30 ECEDLO C#Cc1cccc(NC(=O)CNC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)c1 ZINC000264848755 437094448 /nfs/dbraw/zinc/09/44/48/437094448.db2.gz MPBABTDCOHKDLT-MRXNPFEDSA-N 1 2 343.431 0.151 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000331474481 437103875 /nfs/dbraw/zinc/10/38/75/437103875.db2.gz MODKWBFDWSHSTN-JSGCOSHPSA-N 1 2 330.454 0.166 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000331474481 437103880 /nfs/dbraw/zinc/10/38/80/437103880.db2.gz MODKWBFDWSHSTN-JSGCOSHPSA-N 1 2 330.454 0.166 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CCN1c1[nH+]cnc2c1cnn2C ZINC000176801133 437157335 /nfs/dbraw/zinc/15/73/35/437157335.db2.gz HSDNPFDMHISBIB-LLVKDONJSA-N 1 2 335.375 0.740 20 30 ECEDLO C#CCN1CCN(C(=O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)CC1 ZINC000305111569 437158866 /nfs/dbraw/zinc/15/88/66/437158866.db2.gz DCBCATZQUUEVGV-HNNXBMFYSA-N 1 2 347.381 0.399 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000176992250 437164647 /nfs/dbraw/zinc/16/46/47/437164647.db2.gz LGBSSAUEUUDGQB-CJNGLKHVSA-N 1 2 335.429 0.899 20 30 ECEDLO C[C@@H]1CCC[C@@H](C)C12NC(=O)N(C[C@@H](O)C[N@H+](C)CCC#N)C2=O ZINC000331639818 437135085 /nfs/dbraw/zinc/13/50/85/437135085.db2.gz MQBHJXSTRBLPTP-MCIONIFRSA-N 1 2 336.436 0.939 20 30 ECEDLO C[C@@H]1CCC[C@@H](C)C12NC(=O)N(C[C@@H](O)C[N@@H+](C)CCC#N)C2=O ZINC000331639818 437135088 /nfs/dbraw/zinc/13/50/88/437135088.db2.gz MQBHJXSTRBLPTP-MCIONIFRSA-N 1 2 336.436 0.939 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2Cc3ccccc3C2)CC1 ZINC000277324312 437210540 /nfs/dbraw/zinc/21/05/40/437210540.db2.gz ULAXBHAHQGYUBW-UHFFFAOYSA-N 1 2 339.439 0.685 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2Cc3ccccc3C2)CC1 ZINC000277324312 437210545 /nfs/dbraw/zinc/21/05/45/437210545.db2.gz ULAXBHAHQGYUBW-UHFFFAOYSA-N 1 2 339.439 0.685 20 30 ECEDLO C#CCNc1nc(N[C@H](C)[C@H](C)CO)[nH+]c(N[C@@H](C)[C@@H](C)CO)n1 ZINC000287147887 437165739 /nfs/dbraw/zinc/16/57/39/437165739.db2.gz DZWJCMIAFLCKRR-MPZDIEGVSA-N 1 2 336.440 0.774 20 30 ECEDLO C#CCNc1nc(N[C@H](C)[C@H](C)CO)nc(N[C@@H](C)[C@@H](C)CO)[nH+]1 ZINC000287147887 437165741 /nfs/dbraw/zinc/16/57/41/437165741.db2.gz DZWJCMIAFLCKRR-MPZDIEGVSA-N 1 2 336.440 0.774 20 30 ECEDLO C#CCNc1nc(N[C@@H](C)[C@@H](C)CO)nc(N[C@H](C)[C@H](C)CO)[nH+]1 ZINC000287147887 437165744 /nfs/dbraw/zinc/16/57/44/437165744.db2.gz DZWJCMIAFLCKRR-MPZDIEGVSA-N 1 2 336.440 0.774 20 30 ECEDLO CS(=O)(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000323805344 437224783 /nfs/dbraw/zinc/22/47/83/437224783.db2.gz HQZKGXKDGXYBQN-CABCVRRESA-N 1 2 338.429 0.807 20 30 ECEDLO CS(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000323805344 437224788 /nfs/dbraw/zinc/22/47/88/437224788.db2.gz HQZKGXKDGXYBQN-CABCVRRESA-N 1 2 338.429 0.807 20 30 ECEDLO C[C@@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)[NH+]1CCOCC1 ZINC000332537708 437228256 /nfs/dbraw/zinc/22/82/56/437228256.db2.gz JYIFNUSHDBMECC-AWEZNQCLSA-N 1 2 329.404 0.323 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](OCCO)C2)c1 ZINC000179000732 437246937 /nfs/dbraw/zinc/24/69/37/437246937.db2.gz OKQKUOSKAIGACQ-OAHLLOKOSA-N 1 2 338.429 0.805 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](OCCO)C2)c1 ZINC000179000732 437246941 /nfs/dbraw/zinc/24/69/41/437246941.db2.gz OKQKUOSKAIGACQ-OAHLLOKOSA-N 1 2 338.429 0.805 20 30 ECEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCN3C(=O)NC[C@H]3C1)CCC2 ZINC000328704710 437254272 /nfs/dbraw/zinc/25/42/72/437254272.db2.gz KTNVSVMIOSPXBD-STQMWFEESA-N 1 2 332.408 0.897 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000277805878 437255693 /nfs/dbraw/zinc/25/56/93/437255693.db2.gz PQRGJHFMCQKFON-NEPJUHHUSA-N 1 2 331.438 0.286 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000277805878 437255697 /nfs/dbraw/zinc/25/56/97/437255697.db2.gz PQRGJHFMCQKFON-NEPJUHHUSA-N 1 2 331.438 0.286 20 30 ECEDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@H]2CSC2(C)C)CCO1 ZINC000328716977 437256552 /nfs/dbraw/zinc/25/65/52/437256552.db2.gz FAWUWJXPLAMQGF-MNOVXSKESA-N 1 2 330.454 0.962 20 30 ECEDLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@H]2CSC2(C)C)CCO1 ZINC000328716977 437256553 /nfs/dbraw/zinc/25/65/53/437256553.db2.gz FAWUWJXPLAMQGF-MNOVXSKESA-N 1 2 330.454 0.962 20 30 ECEDLO CN(C)C(=O)c1cc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)ccn1 ZINC000329025850 437305675 /nfs/dbraw/zinc/30/56/75/437305675.db2.gz NWDMCGOVPZNJJC-LSDHHAIUSA-N 1 2 347.419 0.734 20 30 ECEDLO CN(C)C(=O)c1cc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)ccn1 ZINC000329025850 437305677 /nfs/dbraw/zinc/30/56/77/437305677.db2.gz NWDMCGOVPZNJJC-LSDHHAIUSA-N 1 2 347.419 0.734 20 30 ECEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1COCCN1C ZINC000329028701 437305843 /nfs/dbraw/zinc/30/58/43/437305843.db2.gz KNNZONJMTYZBED-IHRRRGAJSA-N 1 2 339.415 0.620 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000336923293 437312962 /nfs/dbraw/zinc/31/29/62/437312962.db2.gz SFHOWLRJJBDQJE-LBPRGKRZSA-N 1 2 325.438 0.964 20 30 ECEDLO Cc1cc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)nn1CCC#N ZINC000328936949 437288240 /nfs/dbraw/zinc/28/82/40/437288240.db2.gz CTQOGXZJHOOEQU-UONOGXRCSA-N 1 2 332.408 1.042 20 30 ECEDLO Cc1cc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)nn1CCC#N ZINC000328936949 437288242 /nfs/dbraw/zinc/28/82/42/437288242.db2.gz CTQOGXZJHOOEQU-UONOGXRCSA-N 1 2 332.408 1.042 20 30 ECEDLO Cc1cc(=O)c(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cn1C1CC1 ZINC000329245854 437341076 /nfs/dbraw/zinc/34/10/76/437341076.db2.gz AJXVEISTFPRNQB-GOSISDBHSA-N 1 2 349.431 0.879 20 30 ECEDLO Cc1nc([C@@H]2CN(C(=O)NC[C@H](C)[NH+]3CCOCC3)CCO2)no1 ZINC000329316235 437351578 /nfs/dbraw/zinc/35/15/78/437351578.db2.gz HLBOYPFFYWYGEY-AAEUAGOBSA-N 1 2 339.396 0.386 20 30 ECEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)Nc1nncs1 ZINC000329324643 437351600 /nfs/dbraw/zinc/35/16/00/437351600.db2.gz VSGZFZWIVYSLES-UHFFFAOYSA-N 1 2 338.437 0.808 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1cccc2c1OCO2 ZINC000329321102 437351868 /nfs/dbraw/zinc/35/18/68/437351868.db2.gz GNZFECTYFPPXDH-GFCCVEGCSA-N 1 2 337.376 0.586 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000267999616 437353083 /nfs/dbraw/zinc/35/30/83/437353083.db2.gz MNGOJYQCIGDHIN-CYBMUJFWSA-N 1 2 333.436 0.623 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337403683 437360800 /nfs/dbraw/zinc/36/08/00/437360800.db2.gz LSWUJHFRYLBNJS-RYUDHWBXSA-N 1 2 331.438 0.286 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337403683 437360801 /nfs/dbraw/zinc/36/08/01/437360801.db2.gz LSWUJHFRYLBNJS-RYUDHWBXSA-N 1 2 331.438 0.286 20 30 ECEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@@]3(C)CCOC3)ccn2)CC1 ZINC000329406859 437363896 /nfs/dbraw/zinc/36/38/96/437363896.db2.gz CVRLTCXESCALHM-KRWDZBQOSA-N 1 2 347.419 0.783 20 30 ECEDLO CN1CC[N@H+](C)[C@H](CNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1 ZINC000329408407 437365652 /nfs/dbraw/zinc/36/56/52/437365652.db2.gz BJYDSJKEULNJKX-WBMJQRKESA-N 1 2 337.424 0.114 20 30 ECEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1 ZINC000329408407 437365656 /nfs/dbraw/zinc/36/56/56/437365656.db2.gz BJYDSJKEULNJKX-WBMJQRKESA-N 1 2 337.424 0.114 20 30 ECEDLO O=C(N[C@H]1CCCOC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329451342 437370929 /nfs/dbraw/zinc/37/09/29/437370929.db2.gz MAFWPHQZWTVWFK-KGLIPLIRSA-N 1 2 325.409 0.303 20 30 ECEDLO Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329456214 437371701 /nfs/dbraw/zinc/37/17/01/437371701.db2.gz MWDOQPUPLPYPND-ARLBYUKCSA-N 1 2 349.435 0.427 20 30 ECEDLO Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329456214 437371705 /nfs/dbraw/zinc/37/17/05/437371705.db2.gz MWDOQPUPLPYPND-ARLBYUKCSA-N 1 2 349.435 0.427 20 30 ECEDLO O=C(C[NH+]1C[C@@H](O)[C@H](O)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000278583081 437323760 /nfs/dbraw/zinc/32/37/60/437323760.db2.gz CWJFXNOKLOZZQT-ZIAGYGMSSA-N 1 2 342.317 0.211 20 30 ECEDLO CCOCC[NH+]1CCN(S(=O)(=O)N(CC)C[C@@H](C)C#N)CC1 ZINC000337076541 437328553 /nfs/dbraw/zinc/32/85/53/437328553.db2.gz SGFYULUJUYCQNE-AWEZNQCLSA-N 1 2 332.470 0.367 20 30 ECEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000329171935 437329414 /nfs/dbraw/zinc/32/94/14/437329414.db2.gz KHIXZOSXZUVXNR-LXTVHRRPSA-N 1 2 334.420 0.974 20 30 ECEDLO C[C@H]1C(=O)NCCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000329171630 437330895 /nfs/dbraw/zinc/33/08/95/437330895.db2.gz KQJUXANAWSCLKJ-ZDUSSCGKSA-N 1 2 347.423 0.173 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000337093732 437330995 /nfs/dbraw/zinc/33/09/95/437330995.db2.gz NXGCQHOJYWLZMG-RDBSUJKOSA-N 1 2 332.470 0.412 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2CC(=O)NC2(C#N)CCC2)O1 ZINC000338360242 437404674 /nfs/dbraw/zinc/40/46/74/437404674.db2.gz PHRQBCWYNQLBQF-SYQHCUMBSA-N 1 2 335.404 0.732 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2CC(=O)NC2(C#N)CCC2)O1 ZINC000338360242 437404677 /nfs/dbraw/zinc/40/46/77/437404677.db2.gz PHRQBCWYNQLBQF-SYQHCUMBSA-N 1 2 335.404 0.732 20 30 ECEDLO COCC[N@@H+]1CC[C@H](NC(=O)N2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000329776564 437411322 /nfs/dbraw/zinc/41/13/22/437411322.db2.gz OFOOGUFLADFPSD-LBPRGKRZSA-N 1 2 333.454 0.130 20 30 ECEDLO COCC[N@H+]1CC[C@H](NC(=O)N2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000329776564 437411324 /nfs/dbraw/zinc/41/13/24/437411324.db2.gz OFOOGUFLADFPSD-LBPRGKRZSA-N 1 2 333.454 0.130 20 30 ECEDLO CC(C)[N@H+](CCOCCO)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289458427 437411938 /nfs/dbraw/zinc/41/19/38/437411938.db2.gz PUTRWWOSMUSCGR-UHFFFAOYSA-N 1 2 341.433 0.446 20 30 ECEDLO CC(C)[N@@H+](CCOCCO)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289458427 437411941 /nfs/dbraw/zinc/41/19/41/437411941.db2.gz PUTRWWOSMUSCGR-UHFFFAOYSA-N 1 2 341.433 0.446 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(-c3ccoc3)n2CC)CC1 ZINC000338555790 437412887 /nfs/dbraw/zinc/41/28/87/437412887.db2.gz XPTIPZPSQACMPK-UHFFFAOYSA-N 1 2 344.419 0.982 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCCS2(=O)=O)C[C@@H]1C ZINC000329810768 437415902 /nfs/dbraw/zinc/41/59/02/437415902.db2.gz CNCUBLCMLPMWAG-IHRRRGAJSA-N 1 2 347.481 0.255 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CCCCS2(=O)=O)C[C@@H]1C ZINC000329810768 437415905 /nfs/dbraw/zinc/41/59/05/437415905.db2.gz CNCUBLCMLPMWAG-IHRRRGAJSA-N 1 2 347.481 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QFCUJFWBIKFZMI-UHFFFAOYSA-N 1 2 341.411 0.171 20 30 ECEDLO Cn1ccnc1[C@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CCN1C ZINC000329639645 437394911 /nfs/dbraw/zinc/39/49/11/437394911.db2.gz ZIELQEATMOYRLZ-IUODEOHRSA-N 1 2 343.435 0.903 20 30 ECEDLO C[C@H](NC(=O)C[N@@H+]1CCN2CCOC[C@H]2C1)C(=O)N1CCCCC1 ZINC000329664033 437399714 /nfs/dbraw/zinc/39/97/14/437399714.db2.gz JSOQMTDHIYKJGC-LSDHHAIUSA-N 1 2 338.452 0.360 20 30 ECEDLO C[C@H](NC(=O)C[N@H+]1CCN2CCOC[C@H]2C1)C(=O)N1CCCCC1 ZINC000329664033 437399719 /nfs/dbraw/zinc/39/97/19/437399719.db2.gz JSOQMTDHIYKJGC-LSDHHAIUSA-N 1 2 338.452 0.360 20 30 ECEDLO N#C[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)C[C@@]12C(=O)Nc1ccccc12 ZINC000338249004 437400009 /nfs/dbraw/zinc/40/00/09/437400009.db2.gz BKMCCRBLJJHTOD-QWQRMKEZSA-N 1 2 337.383 0.589 20 30 ECEDLO N#C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@@]12C(=O)Nc1ccccc12 ZINC000338249004 437400014 /nfs/dbraw/zinc/40/00/14/437400014.db2.gz BKMCCRBLJJHTOD-QWQRMKEZSA-N 1 2 337.383 0.589 20 30 ECEDLO Cn1nccc1[C@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC(=O)N1C ZINC000330240745 437473376 /nfs/dbraw/zinc/47/33/76/437473376.db2.gz ISYRSPHIEQPLGI-LALPHHSUSA-N 1 2 335.408 0.227 20 30 ECEDLO Cn1nccc1[C@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC(=O)N1C ZINC000330240745 437473377 /nfs/dbraw/zinc/47/33/77/437473377.db2.gz ISYRSPHIEQPLGI-LALPHHSUSA-N 1 2 335.408 0.227 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccccc2C#C)CC1 ZINC000290311499 437477292 /nfs/dbraw/zinc/47/72/92/437477292.db2.gz UQXXNGHMTLBCKN-UHFFFAOYSA-N 1 2 337.423 0.494 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccccc2C#C)CC1 ZINC000290311499 437477295 /nfs/dbraw/zinc/47/72/95/437477295.db2.gz UQXXNGHMTLBCKN-UHFFFAOYSA-N 1 2 337.423 0.494 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCOC2(CCOCC2)C1 ZINC000330273052 437477390 /nfs/dbraw/zinc/47/73/90/437477390.db2.gz YPCVDKVXHHPNBB-CABCVRRESA-N 1 2 341.452 0.939 20 30 ECEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000330285034 437479081 /nfs/dbraw/zinc/47/90/81/437479081.db2.gz YHHCTOZXTAIHRG-TZMCWYRMSA-N 1 2 328.438 0.601 20 30 ECEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000330285034 437479082 /nfs/dbraw/zinc/47/90/82/437479082.db2.gz YHHCTOZXTAIHRG-TZMCWYRMSA-N 1 2 328.438 0.601 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCOC[C@@H]1CCCO1 ZINC000343040134 437486827 /nfs/dbraw/zinc/48/68/27/437486827.db2.gz OCHPAZUWTSGXLW-INIZCTEOSA-N 1 2 339.436 0.647 20 30 ECEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(S(C)(=O)=O)nc3)C[C@@H]21 ZINC000329936870 437434027 /nfs/dbraw/zinc/43/40/27/437434027.db2.gz LFGFOIDOWHLWIZ-RYUDHWBXSA-N 1 2 340.405 0.045 20 30 ECEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(S(C)(=O)=O)nc3)C[C@@H]21 ZINC000329936870 437434030 /nfs/dbraw/zinc/43/40/30/437434030.db2.gz LFGFOIDOWHLWIZ-RYUDHWBXSA-N 1 2 340.405 0.045 20 30 ECEDLO CCNC(=O)N1CC[C@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000329983727 437440800 /nfs/dbraw/zinc/44/08/00/437440800.db2.gz PVOKFOAGOBWQHO-ZDUSSCGKSA-N 1 2 341.456 0.609 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000289971653 437452332 /nfs/dbraw/zinc/45/23/32/437452332.db2.gz XJYPKKWVNJMVEH-UHFFFAOYSA-N 1 2 327.428 0.881 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000289971653 437452335 /nfs/dbraw/zinc/45/23/35/437452335.db2.gz XJYPKKWVNJMVEH-UHFFFAOYSA-N 1 2 327.428 0.881 20 30 ECEDLO Cc1c(-c2cc(CO[NH+]=C(N)CN3CCOCC3)on2)cnn1C ZINC000186093382 437461317 /nfs/dbraw/zinc/46/13/17/437461317.db2.gz UHHKIQDJCGARCV-UHFFFAOYSA-N 1 2 334.380 0.505 20 30 ECEDLO Cn1cc(N2CCN(C(=O)N[C@H]3CCn4cc[nH+]c4C3)CC2=O)cn1 ZINC000330162042 437461436 /nfs/dbraw/zinc/46/14/36/437461436.db2.gz AAQKFWAZNNDRRU-LBPRGKRZSA-N 1 2 343.391 0.194 20 30 ECEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)C1 ZINC000330193974 437466150 /nfs/dbraw/zinc/46/61/50/437466150.db2.gz ATCXXWSENVCDFK-UMVBOHGHSA-N 1 2 329.466 0.875 20 30 ECEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)C1 ZINC000330193974 437466154 /nfs/dbraw/zinc/46/61/54/437466154.db2.gz ATCXXWSENVCDFK-UMVBOHGHSA-N 1 2 329.466 0.875 20 30 ECEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC(Cn2cncn2)CC1 ZINC000330198065 437467631 /nfs/dbraw/zinc/46/76/31/437467631.db2.gz SRZFSTXBCSMKJS-HNNXBMFYSA-N 1 2 349.483 0.540 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330408136 437501733 /nfs/dbraw/zinc/50/17/33/437501733.db2.gz XKTKUHXPISQWNN-CYBMUJFWSA-N 1 2 340.453 0.254 20 30 ECEDLO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)C1 ZINC000330427315 437508815 /nfs/dbraw/zinc/50/88/15/437508815.db2.gz WZQDTRZJXOQFSR-UONOGXRCSA-N 1 2 332.470 0.412 20 30 ECEDLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)C1 ZINC000330427315 437508821 /nfs/dbraw/zinc/50/88/21/437508821.db2.gz WZQDTRZJXOQFSR-UONOGXRCSA-N 1 2 332.470 0.412 20 30 ECEDLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)C1 ZINC000330427308 437509349 /nfs/dbraw/zinc/50/93/49/437509349.db2.gz WZQDTRZJXOQFSR-KBPBESRZSA-N 1 2 332.470 0.412 20 30 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/nfs/dbraw/zinc/56/71/54/437567154.db2.gz CZZZWYDZCOQGGI-LLVKDONJSA-N 1 2 343.836 0.899 20 30 ECEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCCC(=O)N(C)C)C2)CC1 ZINC000330644877 437578487 /nfs/dbraw/zinc/57/84/87/437578487.db2.gz HUUORSICGLCIAJ-AWEZNQCLSA-N 1 2 325.457 0.091 20 30 ECEDLO Cc1ccnc(N[C@H]2CCCN(CC[NH+]3CCOCC3)C2=O)c1C#N ZINC000360313129 437582151 /nfs/dbraw/zinc/58/21/51/437582151.db2.gz HLGMSVRSMOBGQJ-INIZCTEOSA-N 1 2 343.431 0.997 20 30 ECEDLO C=CCCN(C)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000343450562 437583890 /nfs/dbraw/zinc/58/38/90/437583890.db2.gz ZRJAQTRAHIGSQE-UHFFFAOYSA-N 1 2 335.408 0.188 20 30 ECEDLO COC(=O)[C@@](C)(O)C[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000330833037 437627867 /nfs/dbraw/zinc/62/78/67/437627867.db2.gz JQLRJULZQVHSFO-INIZCTEOSA-N 1 2 327.425 0.775 20 30 ECEDLO N#CCNC(=O)CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000343706002 437632957 /nfs/dbraw/zinc/63/29/57/437632957.db2.gz GKMWJXXILFTONF-UHFFFAOYSA-N 1 2 326.360 0.370 20 30 ECEDLO CS(=O)(=O)C1CCC(NC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000330906591 437648817 /nfs/dbraw/zinc/64/88/17/437648817.db2.gz BPOMSDAJDQNLRP-UHFFFAOYSA-N 1 2 333.454 0.178 20 30 ECEDLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)COc2ccccc2C#N)CC1 ZINC000360938731 437651541 /nfs/dbraw/zinc/65/15/41/437651541.db2.gz DEWCGGHYBYJKJA-UHFFFAOYSA-N 1 2 344.415 0.560 20 30 ECEDLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)COc2ccccc2C#N)CC1 ZINC000360938731 437651546 /nfs/dbraw/zinc/65/15/46/437651546.db2.gz DEWCGGHYBYJKJA-UHFFFAOYSA-N 1 2 344.415 0.560 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2nc3ccc(OC)nc3[nH]2)CC1 ZINC000354819728 437652114 /nfs/dbraw/zinc/65/21/14/437652114.db2.gz AHRMPJLNCLAYJL-UHFFFAOYSA-N 1 2 344.419 0.386 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1[nH]cc[nH+]1 ZINC000360968342 437652739 /nfs/dbraw/zinc/65/27/39/437652739.db2.gz JAEIPPRUFFNFEJ-LLVKDONJSA-N 1 2 347.400 0.307 20 30 ECEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C#N)c(C)n2)C1 ZINC000354896940 437654647 /nfs/dbraw/zinc/65/46/47/437654647.db2.gz IATPGCFRMDBQKP-ZDUSSCGKSA-N 1 2 330.388 0.877 20 30 ECEDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C#N)c(C)n2)C1 ZINC000354896940 437654650 /nfs/dbraw/zinc/65/46/50/437654650.db2.gz IATPGCFRMDBQKP-ZDUSSCGKSA-N 1 2 330.388 0.877 20 30 ECEDLO C[C@H](NC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1)[C@H]1CCOC1 ZINC000330975097 437661227 /nfs/dbraw/zinc/66/12/27/437661227.db2.gz JNMLUGCPAHBRKR-RWMBFGLXSA-N 1 2 328.413 0.493 20 30 ECEDLO C[C@H](NC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1)[C@H]1CCOC1 ZINC000330975097 437661230 /nfs/dbraw/zinc/66/12/30/437661230.db2.gz JNMLUGCPAHBRKR-RWMBFGLXSA-N 1 2 328.413 0.493 20 30 ECEDLO CC(C)NC(=O)NC(=O)[C@@H](C)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000330985246 437663675 /nfs/dbraw/zinc/66/36/75/437663675.db2.gz KWQCODRUZIIQTK-LLVKDONJSA-N 1 2 327.429 0.745 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(N(C)CC)nc2)CC1 ZINC000361491784 437665477 /nfs/dbraw/zinc/66/54/77/437665477.db2.gz AGXDKFAOWIUGMA-UHFFFAOYSA-N 1 2 331.464 0.958 20 30 ECEDLO C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355098223 437671042 /nfs/dbraw/zinc/67/10/42/437671042.db2.gz LKGQTQVYVIAFRV-LBPRGKRZSA-N 1 2 342.403 0.452 20 30 ECEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000355107319 437671965 /nfs/dbraw/zinc/67/19/65/437671965.db2.gz QNXPHFIFUPKNHT-CQSZACIVSA-N 1 2 332.408 0.178 20 30 ECEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000355107319 437671972 /nfs/dbraw/zinc/67/19/72/437671972.db2.gz QNXPHFIFUPKNHT-CQSZACIVSA-N 1 2 332.408 0.178 20 30 ECEDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(S(N)(=O)=O)c(F)c2)C1 ZINC000331034700 437674100 /nfs/dbraw/zinc/67/41/00/437674100.db2.gz LOXPGSRPZKQFLG-JTQLQIEISA-N 1 2 331.369 0.108 20 30 ECEDLO C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(S(N)(=O)=O)c(F)c2)C1 ZINC000331034700 437674104 /nfs/dbraw/zinc/67/41/04/437674104.db2.gz LOXPGSRPZKQFLG-JTQLQIEISA-N 1 2 331.369 0.108 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)ccn1 ZINC000192848671 437695222 /nfs/dbraw/zinc/69/52/22/437695222.db2.gz ORMUAPIJMSLIJM-INIZCTEOSA-N 1 2 332.429 0.891 20 30 ECEDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2CCCSC2)CCO1 ZINC000331141732 437698096 /nfs/dbraw/zinc/69/80/96/437698096.db2.gz FTKUZDYCGQXYBX-VXGBXAGGSA-N 1 2 330.454 0.964 20 30 ECEDLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2CCCSC2)CCO1 ZINC000331141732 437698097 /nfs/dbraw/zinc/69/80/97/437698097.db2.gz FTKUZDYCGQXYBX-VXGBXAGGSA-N 1 2 330.454 0.964 20 30 ECEDLO C[C@@H]1CN(CC[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)CCO1 ZINC000192756856 437692565 /nfs/dbraw/zinc/69/25/65/437692565.db2.gz GLVCRWIOSHUGDW-HUUCEWRRSA-N 1 2 330.436 0.579 20 30 ECEDLO C[C@@H]1CN(CC[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)CCO1 ZINC000192756856 437692568 /nfs/dbraw/zinc/69/25/68/437692568.db2.gz GLVCRWIOSHUGDW-HUUCEWRRSA-N 1 2 330.436 0.579 20 30 ECEDLO Cc1cc(C[NH+]2CCN(C(=O)CN3CCOCC3)CC2)ccc1C#N ZINC000362956946 437763663 /nfs/dbraw/zinc/76/36/63/437763663.db2.gz GCCKNHBJHOSPKE-UHFFFAOYSA-N 1 2 342.443 0.843 20 30 ECEDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NCC2CCOCC2)CCO1 ZINC000331243472 437725186 /nfs/dbraw/zinc/72/51/86/437725186.db2.gz OESGSBMDEWNKDB-CYBMUJFWSA-N 1 2 328.413 0.495 20 30 ECEDLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NCC2CCOCC2)CCO1 ZINC000331243472 437725190 /nfs/dbraw/zinc/72/51/90/437725190.db2.gz OESGSBMDEWNKDB-CYBMUJFWSA-N 1 2 328.413 0.495 20 30 ECEDLO CCOC(=O)c1cnc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)n1C ZINC000331244199 437726092 /nfs/dbraw/zinc/72/60/92/437726092.db2.gz QNKWZWCMLIQDSL-SNVBAGLBSA-N 1 2 325.369 0.253 20 30 ECEDLO CCOC(=O)c1cnc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)n1C ZINC000331244199 437726096 /nfs/dbraw/zinc/72/60/96/437726096.db2.gz QNKWZWCMLIQDSL-SNVBAGLBSA-N 1 2 325.369 0.253 20 30 ECEDLO CCS(=O)(=O)C1CCN(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000331293169 437735846 /nfs/dbraw/zinc/73/58/46/437735846.db2.gz QNEJEXZYMDLVRX-CYBMUJFWSA-N 1 2 347.481 0.520 20 30 ECEDLO CCS(=O)(=O)C1CCN(C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000331293169 437735849 /nfs/dbraw/zinc/73/58/49/437735849.db2.gz QNEJEXZYMDLVRX-CYBMUJFWSA-N 1 2 347.481 0.520 20 30 ECEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1CNC(=O)c1cnn(C)c1C#N ZINC000356090303 437746648 /nfs/dbraw/zinc/74/66/48/437746648.db2.gz MDLVPEINULVXTN-NWDGAFQWSA-N 1 2 345.382 0.368 20 30 ECEDLO C=CC[C@H](CO)CNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000340911620 437757709 /nfs/dbraw/zinc/75/77/09/437757709.db2.gz IVXXEJXYHBVDRK-HNNXBMFYSA-N 1 2 334.420 0.902 20 30 ECEDLO C=C(C)CN(C)C(=O)C(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000344609154 437760569 /nfs/dbraw/zinc/76/05/69/437760569.db2.gz RICXLMJBYRIVHA-ZDUSSCGKSA-N 1 2 346.435 0.638 20 30 ECEDLO C=C(C)CN(C)C(=O)C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000344609154 437760572 /nfs/dbraw/zinc/76/05/72/437760572.db2.gz RICXLMJBYRIVHA-ZDUSSCGKSA-N 1 2 346.435 0.638 20 30 ECEDLO C=CC[C@H](C)NC(=O)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000364682009 437822296 /nfs/dbraw/zinc/82/22/96/437822296.db2.gz MAIUTXQRPAKGIS-LSDHHAIUSA-N 1 2 338.452 0.573 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@](F)(CO)C2)CC1 ZINC000347348294 437874897 /nfs/dbraw/zinc/87/48/97/437874897.db2.gz UKNUUCGNNKIHKD-NVXWUHKLSA-N 1 2 340.443 0.475 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@](F)(CO)C2)CC1 ZINC000347348294 437874902 /nfs/dbraw/zinc/87/49/02/437874902.db2.gz UKNUUCGNNKIHKD-NVXWUHKLSA-N 1 2 340.443 0.475 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2ncnc3c2ncn3CC)CC1 ZINC000356972809 437877449 /nfs/dbraw/zinc/87/74/49/437877449.db2.gz GDIXHGGJIYBJCN-UHFFFAOYSA-N 1 2 329.408 0.270 20 30 ECEDLO C[C@H](C#N)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000347118425 437834913 /nfs/dbraw/zinc/83/49/13/437834913.db2.gz VCUZWIMPELLMQR-KGLIPLIRSA-N 1 2 344.419 0.558 20 30 ECEDLO C[C@H](C#N)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000347118425 437834918 /nfs/dbraw/zinc/83/49/18/437834918.db2.gz VCUZWIMPELLMQR-KGLIPLIRSA-N 1 2 344.419 0.558 20 30 ECEDLO C[C@@](C#N)(NC(=O)CN1CC[NH+](C2(C(N)=O)CCCC2)CC1)C1CC1 ZINC000370790845 437840102 /nfs/dbraw/zinc/84/01/02/437840102.db2.gz RRTRHRBXPHSWNI-KRWDZBQOSA-N 1 2 347.463 0.211 20 30 ECEDLO CCN(CCC#N)C(=O)CN1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000370881724 437852030 /nfs/dbraw/zinc/85/20/30/437852030.db2.gz QMGCOQWIXGMCKN-UHFFFAOYSA-N 1 2 335.452 0.164 20 30 ECEDLO C=CC[C@@H](CO)NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000341516390 437857199 /nfs/dbraw/zinc/85/71/99/437857199.db2.gz WWFSQMHELWQOJV-HNNXBMFYSA-N 1 2 338.452 0.167 20 30 ECEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000365141381 437865919 /nfs/dbraw/zinc/86/59/19/437865919.db2.gz YARNGQGTLLANSY-NVXWUHKLSA-N 1 2 335.448 0.733 20 30 ECEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000365141381 437865924 /nfs/dbraw/zinc/86/59/24/437865924.db2.gz YARNGQGTLLANSY-NVXWUHKLSA-N 1 2 335.448 0.733 20 30 ECEDLO COC(=O)CNC(=O)CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000371296696 437915315 /nfs/dbraw/zinc/91/53/15/437915315.db2.gz BVSAKYXYADSMAU-OAHLLOKOSA-N 1 2 331.372 0.611 20 30 ECEDLO COC(=O)CNC(=O)CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000371296696 437915319 /nfs/dbraw/zinc/91/53/19/437915319.db2.gz BVSAKYXYADSMAU-OAHLLOKOSA-N 1 2 331.372 0.611 20 30 ECEDLO Cn1c(NCc2cccc(-c3[nH]cc[nH+]3)c2)c(C#N)c(=O)n(C)c1=O ZINC000341930872 437926544 /nfs/dbraw/zinc/92/65/44/437926544.db2.gz GEGKTBMFZAYFOA-UHFFFAOYSA-N 1 2 336.355 0.958 20 30 ECEDLO COC(=O)C[C@@H]1COCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000347457060 437893809 /nfs/dbraw/zinc/89/38/09/437893809.db2.gz PONNFTLZSHBZNS-HUUCEWRRSA-N 1 2 334.372 0.562 20 30 ECEDLO COC(=O)C[C@@H]1COCC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000347457060 437893817 /nfs/dbraw/zinc/89/38/17/437893817.db2.gz PONNFTLZSHBZNS-HUUCEWRRSA-N 1 2 334.372 0.562 20 30 ECEDLO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000342074904 437958771 /nfs/dbraw/zinc/95/87/71/437958771.db2.gz WJVXGENATGMRLD-UHFFFAOYSA-N 1 2 347.415 0.717 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000424666560 437984024 /nfs/dbraw/zinc/98/40/24/437984024.db2.gz STIRIMWUUONDML-OAHLLOKOSA-N 1 2 337.464 0.980 20 30 ECEDLO C=CCOC[C@H](NC(=O)C1CC[NH+](CC(F)F)CC1)C(=O)OC ZINC000357670548 438039299 /nfs/dbraw/zinc/03/92/99/438039299.db2.gz MNFMGBMKSRHVGP-LBPRGKRZSA-N 1 2 334.363 0.824 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000425897108 438047409 /nfs/dbraw/zinc/04/74/09/438047409.db2.gz ZWTZGRHKPMJIML-ZNMIVQPWSA-N 1 2 344.415 0.484 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000425910266 438048176 /nfs/dbraw/zinc/04/81/76/438048176.db2.gz USFUPJPVUOGGRT-BPUTZDHNSA-N 1 2 345.399 0.769 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C ZINC000349775141 438178973 /nfs/dbraw/zinc/17/89/73/438178973.db2.gz JWCVBWPWDYRNDO-RDBSUJKOSA-N 1 2 330.454 0.118 20 30 ECEDLO C[C@H](O)COC(=O)CC[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000373859588 438172727 /nfs/dbraw/zinc/17/27/27/438172727.db2.gz NQROIMFWVHASAJ-ZJNRKIDTSA-N 1 2 343.383 0.646 20 30 ECEDLO C[C@H](O)COC(=O)CC[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000373859588 438172731 /nfs/dbraw/zinc/17/27/31/438172731.db2.gz NQROIMFWVHASAJ-ZJNRKIDTSA-N 1 2 343.383 0.646 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@H]2C[C@@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000374503975 438213638 /nfs/dbraw/zinc/21/36/38/438213638.db2.gz KHUFRPFPOQWSQQ-VOAKCMCISA-N 1 2 339.392 0.182 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@H]2C[C@@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000374503975 438213641 /nfs/dbraw/zinc/21/36/41/438213641.db2.gz KHUFRPFPOQWSQQ-VOAKCMCISA-N 1 2 339.392 0.182 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(c2nc(C(F)(F)F)ns2)CC1 ZINC000367726794 438242490 /nfs/dbraw/zinc/24/24/90/438242490.db2.gz DZKLTHJMGWTQCA-UHFFFAOYSA-N 1 2 347.366 0.818 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2nc(C(F)(F)F)ns2)CC1 ZINC000367726794 438242492 /nfs/dbraw/zinc/24/24/92/438242492.db2.gz DZKLTHJMGWTQCA-UHFFFAOYSA-N 1 2 347.366 0.818 20 30 ECEDLO C=CCOCCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000367871588 438261145 /nfs/dbraw/zinc/26/11/45/438261145.db2.gz SGOHHCXUBWYZMX-INIZCTEOSA-N 1 2 327.425 0.370 20 30 ECEDLO N#C[C@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CCN1C1CC1 ZINC000376736917 438291099 /nfs/dbraw/zinc/29/10/99/438291099.db2.gz UKCICSTUCKDOFF-IRXDYDNUSA-N 1 2 332.448 0.686 20 30 ECEDLO N#C[C@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CCN1C1CC1 ZINC000376736917 438291102 /nfs/dbraw/zinc/29/11/02/438291102.db2.gz UKCICSTUCKDOFF-IRXDYDNUSA-N 1 2 332.448 0.686 20 30 ECEDLO COC(=O)C1(O)CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000376810455 438293398 /nfs/dbraw/zinc/29/33/98/438293398.db2.gz IWMDNPRDJMEEEG-CYBMUJFWSA-N 1 2 337.420 0.717 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCSC3)CC2)o1 ZINC000367778327 438248344 /nfs/dbraw/zinc/24/83/44/438248344.db2.gz UVNKRMHGMGISOX-LLVKDONJSA-N 1 2 327.431 0.963 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000375431886 438254253 /nfs/dbraw/zinc/25/42/53/438254253.db2.gz UIVGHFZKCTYZBD-ZIAGYGMSSA-N 1 2 337.445 0.871 20 30 ECEDLO C=C[C@@H](CO)NC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000359053871 438349188 /nfs/dbraw/zinc/34/91/88/438349188.db2.gz KSIFDJPJIJVASY-HLIUYOAVSA-N 1 2 327.425 0.102 20 30 ECEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000359054539 438350938 /nfs/dbraw/zinc/35/09/38/438350938.db2.gz CYECZHLGYDQXLU-NSHDSACASA-N 1 2 343.391 0.850 20 30 ECEDLO N#CCCN(C(=O)C[N@@H+]1CCN2CCOC[C@@H]2C1)c1ccccc1 ZINC000368820154 438383912 /nfs/dbraw/zinc/38/39/12/438383912.db2.gz BRGDODFNUABVAN-KRWDZBQOSA-N 1 2 328.416 0.950 20 30 ECEDLO N#CCCN(C(=O)C[N@H+]1CCN2CCOC[C@@H]2C1)c1ccccc1 ZINC000368820154 438383914 /nfs/dbraw/zinc/38/39/14/438383914.db2.gz BRGDODFNUABVAN-KRWDZBQOSA-N 1 2 328.416 0.950 20 30 ECEDLO N#CC1(NC(=O)C[NH+]2CCN(c3ccc(=O)[nH]n3)CC2)CCCCC1 ZINC000369191160 438434753 /nfs/dbraw/zinc/43/47/53/438434753.db2.gz HKJMSNVTCOTKOU-UHFFFAOYSA-N 1 2 344.419 0.647 20 30 ECEDLO CN(C[C@@H]1CCC[N@H+](CC(=O)NC2(C#N)CCC2)C1)S(C)(=O)=O ZINC000352561774 438444166 /nfs/dbraw/zinc/44/41/66/438444166.db2.gz HAPLHRPFBPKXKS-ZDUSSCGKSA-N 1 2 342.465 0.152 20 30 ECEDLO CN(C[C@@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCC2)C1)S(C)(=O)=O ZINC000352561774 438444170 /nfs/dbraw/zinc/44/41/70/438444170.db2.gz HAPLHRPFBPKXKS-ZDUSSCGKSA-N 1 2 342.465 0.152 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408016816 438487231 /nfs/dbraw/zinc/48/72/31/438487231.db2.gz NKTNTEHUEXMVNF-MCIONIFRSA-N 1 2 330.454 0.118 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408016816 438487236 /nfs/dbraw/zinc/48/72/36/438487236.db2.gz NKTNTEHUEXMVNF-MCIONIFRSA-N 1 2 330.454 0.118 20 30 ECEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000437578282 438449063 /nfs/dbraw/zinc/44/90/63/438449063.db2.gz NTSQUEUDWVKPSX-UHFFFAOYSA-N 1 2 339.399 0.983 20 30 ECEDLO C=CCCCCCN(C)C(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000410644628 438616758 /nfs/dbraw/zinc/61/67/58/438616758.db2.gz SDYLZJBKPRUHHJ-HNNXBMFYSA-N 1 2 325.453 0.716 20 30 ECEDLO C[N@H+](CCCCC(C)(C)C#N)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000444649611 438663442 /nfs/dbraw/zinc/66/34/42/438663442.db2.gz QRGMNYDNXYFGMF-CYBMUJFWSA-N 1 2 329.466 0.942 20 30 ECEDLO C[N@@H+](CCCCC(C)(C)C#N)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000444649611 438663445 /nfs/dbraw/zinc/66/34/45/438663445.db2.gz QRGMNYDNXYFGMF-CYBMUJFWSA-N 1 2 329.466 0.942 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@]3(CC[N@H+](Cc4cnon4)C3)C2)nn1 ZINC001041729813 782071154 /nfs/dbraw/zinc/07/11/54/782071154.db2.gz XANFLQQVIJGRHH-MRXNPFEDSA-N 1 2 343.391 0.585 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4cnon4)C3)C2)nn1 ZINC001041729813 782071158 /nfs/dbraw/zinc/07/11/58/782071158.db2.gz XANFLQQVIJGRHH-MRXNPFEDSA-N 1 2 343.391 0.585 20 30 ECEDLO C=CCONC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000497189083 438776082 /nfs/dbraw/zinc/77/60/82/438776082.db2.gz DFVWBLGQEKUASI-GFCCVEGCSA-N 1 2 328.413 0.954 20 30 ECEDLO C=CCONC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000497189083 438776085 /nfs/dbraw/zinc/77/60/85/438776085.db2.gz DFVWBLGQEKUASI-GFCCVEGCSA-N 1 2 328.413 0.954 20 30 ECEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC1CCN(CC#N)CC1 ZINC000588132437 438821758 /nfs/dbraw/zinc/82/17/58/438821758.db2.gz YZKIYFNCRWANLY-GOEBONIOSA-N 1 2 335.452 0.479 20 30 ECEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000595614378 438833661 /nfs/dbraw/zinc/83/36/61/438833661.db2.gz HCHIMYXGNVJWOG-GFCCVEGCSA-N 1 2 336.417 0.898 20 30 ECEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000595614378 438833667 /nfs/dbraw/zinc/83/36/67/438833667.db2.gz HCHIMYXGNVJWOG-GFCCVEGCSA-N 1 2 336.417 0.898 20 30 ECEDLO N#Cc1sccc1N1CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC000595630766 438836995 /nfs/dbraw/zinc/83/69/95/438836995.db2.gz JKXCHJQZPBZEDS-UHFFFAOYSA-N 1 2 340.474 0.777 20 30 ECEDLO C=CCC[C@@H](CO)NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000457867895 438837301 /nfs/dbraw/zinc/83/73/01/438837301.db2.gz DJIATMVSKZWYSR-HNNXBMFYSA-N 1 2 348.451 0.225 20 30 ECEDLO CC(=O)NC1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000588957793 438849983 /nfs/dbraw/zinc/84/99/83/438849983.db2.gz QLCPHGKGMMGUOT-UHFFFAOYSA-N 1 2 336.417 0.327 20 30 ECEDLO C[C@H](CNS(=O)(=O)c1ccccc1CC#N)C[NH+]1CCOCC1 ZINC000601351999 438859028 /nfs/dbraw/zinc/85/90/28/438859028.db2.gz RPOQTIDYRDLBGF-CQSZACIVSA-N 1 2 337.445 0.999 20 30 ECEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000601469616 438907528 /nfs/dbraw/zinc/90/75/28/438907528.db2.gz SFIKAYQIMQZEMO-ZDUSSCGKSA-N 1 2 327.381 0.303 20 30 ECEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000601469616 438907535 /nfs/dbraw/zinc/90/75/35/438907535.db2.gz SFIKAYQIMQZEMO-ZDUSSCGKSA-N 1 2 327.381 0.303 20 30 ECEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NCCOc2ccc(C#N)cc2)C1 ZINC000601357481 438861876 /nfs/dbraw/zinc/86/18/76/438861876.db2.gz SMEISNGBHKRTMT-OAHLLOKOSA-N 1 2 339.417 0.187 20 30 ECEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NCCOc2ccc(C#N)cc2)C1 ZINC000601357481 438861881 /nfs/dbraw/zinc/86/18/81/438861881.db2.gz SMEISNGBHKRTMT-OAHLLOKOSA-N 1 2 339.417 0.187 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000563634358 438866169 /nfs/dbraw/zinc/86/61/69/438866169.db2.gz FKQRLUMUBONKRV-NEPJUHHUSA-N 1 2 343.453 0.548 20 30 ECEDLO C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)[C@@H](CO)C1 ZINC000601469444 438908172 /nfs/dbraw/zinc/90/81/72/438908172.db2.gz QNUXFWJNIVONFN-CYBMUJFWSA-N 1 2 327.381 0.135 20 30 ECEDLO C[N@H+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)[C@@H](CO)C1 ZINC000601469444 438908180 /nfs/dbraw/zinc/90/81/80/438908180.db2.gz QNUXFWJNIVONFN-CYBMUJFWSA-N 1 2 327.381 0.135 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2cc(C#N)cnn2)CC1 ZINC000596108309 438924827 /nfs/dbraw/zinc/92/48/27/438924827.db2.gz UEJJVODDRVTGAQ-ZDUSSCGKSA-N 1 2 332.408 0.011 20 30 ECEDLO C[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2cc(F)cc(C#N)c2)[C@@H](C)CO1 ZINC000602049998 439002634 /nfs/dbraw/zinc/00/26/34/439002634.db2.gz GKFIUPKQGSKNTG-RYUDHWBXSA-N 1 2 348.378 0.861 20 30 ECEDLO C[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cc(F)cc(C#N)c2)[C@@H](C)CO1 ZINC000602049998 439002636 /nfs/dbraw/zinc/00/26/36/439002636.db2.gz GKFIUPKQGSKNTG-RYUDHWBXSA-N 1 2 348.378 0.861 20 30 ECEDLO CCn1cc[nH+]c1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000566279592 439035585 /nfs/dbraw/zinc/03/55/85/439035585.db2.gz MTHYUQLQAHGUJS-UHFFFAOYSA-N 1 2 347.400 0.369 20 30 ECEDLO COCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592149387 439166931 /nfs/dbraw/zinc/16/69/31/439166931.db2.gz ODNQUEIQLMPVLD-SFHVURJKSA-N 1 2 347.415 0.678 20 30 ECEDLO COCCOc1ccc(CNC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592149387 439166934 /nfs/dbraw/zinc/16/69/34/439166934.db2.gz ODNQUEIQLMPVLD-SFHVURJKSA-N 1 2 347.415 0.678 20 30 ECEDLO CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592149120 439167124 /nfs/dbraw/zinc/16/71/24/439167124.db2.gz JDTZXYUDXBELPK-KRWDZBQOSA-N 1 2 330.388 0.725 20 30 ECEDLO CCNC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592149120 439167126 /nfs/dbraw/zinc/16/71/26/439167126.db2.gz JDTZXYUDXBELPK-KRWDZBQOSA-N 1 2 330.388 0.725 20 30 ECEDLO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149331 439168002 /nfs/dbraw/zinc/16/80/02/439168002.db2.gz NDJZVXBEERQRET-HBUWYVDXSA-N 1 2 345.399 0.682 20 30 ECEDLO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149331 439168007 /nfs/dbraw/zinc/16/80/07/439168007.db2.gz NDJZVXBEERQRET-HBUWYVDXSA-N 1 2 345.399 0.682 20 30 ECEDLO C[C@@H]1Oc2ccccc2N(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)C1=O ZINC000567165379 439119870 /nfs/dbraw/zinc/11/98/70/439119870.db2.gz MEQCKGWLXGGHJA-SJCJKPOMSA-N 1 2 330.388 0.761 20 30 ECEDLO Cc1cc(N2CC[C@@H]([N@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)C2=O)n(C)n1 ZINC000602866540 439147908 /nfs/dbraw/zinc/14/79/08/439147908.db2.gz VUJDWYNQIPBLHS-QLFBSQMISA-N 1 2 330.436 0.752 20 30 ECEDLO Cc1cc(N2CC[C@@H]([N@@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)C2=O)n(C)n1 ZINC000602866540 439147913 /nfs/dbraw/zinc/14/79/13/439147913.db2.gz VUJDWYNQIPBLHS-QLFBSQMISA-N 1 2 330.436 0.752 20 30 ECEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000602910364 439156980 /nfs/dbraw/zinc/15/69/80/439156980.db2.gz XLBDTVARGXSCTL-HZPDHXFCSA-N 1 2 343.387 0.290 20 30 ECEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000602910364 439156984 /nfs/dbraw/zinc/15/69/84/439156984.db2.gz XLBDTVARGXSCTL-HZPDHXFCSA-N 1 2 343.387 0.290 20 30 ECEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C1 ZINC000592147470 439165126 /nfs/dbraw/zinc/16/51/26/439165126.db2.gz OVOICQUEOTZYNT-QGZVFWFLSA-N 1 2 348.378 0.385 20 30 ECEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C1 ZINC000592147470 439165133 /nfs/dbraw/zinc/16/51/33/439165133.db2.gz OVOICQUEOTZYNT-QGZVFWFLSA-N 1 2 348.378 0.385 20 30 ECEDLO CN(CCCNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N)S(C)(=O)=O ZINC000602977401 439176206 /nfs/dbraw/zinc/17/62/06/439176206.db2.gz ASZFQTILCFNZEX-QWHCGFSZSA-N 1 2 330.454 0.008 20 30 ECEDLO CN(CCCNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N)S(C)(=O)=O ZINC000602977401 439176213 /nfs/dbraw/zinc/17/62/13/439176213.db2.gz ASZFQTILCFNZEX-QWHCGFSZSA-N 1 2 330.454 0.008 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)N1CC[NH+](CCc2cnccn2)CC1 ZINC000602999024 439179904 /nfs/dbraw/zinc/17/99/04/439179904.db2.gz WZQKBGIOVGIRBG-AWEZNQCLSA-N 1 2 346.435 0.037 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(CCc2cnccn2)CC1 ZINC000602999024 439179907 /nfs/dbraw/zinc/17/99/07/439179907.db2.gz WZQKBGIOVGIRBG-AWEZNQCLSA-N 1 2 346.435 0.037 20 30 ECEDLO COc1nccc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)n1 ZINC000581186690 439180168 /nfs/dbraw/zinc/18/01/68/439180168.db2.gz WICCRMHTDPSMAT-UHFFFAOYSA-N 1 2 332.385 0.920 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)n1cc(CC[NH+]2CCOCC2)nn1 ZINC000603173879 439201611 /nfs/dbraw/zinc/20/16/11/439201611.db2.gz DDHKKUCUFIYTDE-WMLDXEAASA-N 1 2 348.451 0.768 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)n1cc(CC[NH+]2CCOCC2)nn1 ZINC000603173880 439202227 /nfs/dbraw/zinc/20/22/27/439202227.db2.gz DDHKKUCUFIYTDE-YOEHRIQHSA-N 1 2 348.451 0.768 20 30 ECEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2C(=O)N2CCSCC2)CCC1 ZINC000526135397 439241944 /nfs/dbraw/zinc/24/19/44/439241944.db2.gz WVGWFWSKKMTBFK-ZDUSSCGKSA-N 1 2 336.461 0.589 20 30 ECEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2C(=O)N2CCSCC2)CCC1 ZINC000526135397 439241950 /nfs/dbraw/zinc/24/19/50/439241950.db2.gz WVGWFWSKKMTBFK-ZDUSSCGKSA-N 1 2 336.461 0.589 20 30 ECEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CC[C@@](O)(CC#N)C2)C1 ZINC000603369038 439248432 /nfs/dbraw/zinc/24/84/32/439248432.db2.gz UQTXGXDLPUAHDN-INIZCTEOSA-N 1 2 335.429 0.714 20 30 ECEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CC[C@@](O)(CC#N)C2)C1 ZINC000603369038 439248436 /nfs/dbraw/zinc/24/84/36/439248436.db2.gz UQTXGXDLPUAHDN-INIZCTEOSA-N 1 2 335.429 0.714 20 30 ECEDLO COc1ccc(C#N)cc1NC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000527090425 439252768 /nfs/dbraw/zinc/25/27/68/439252768.db2.gz KOSSUWUUBVNXME-UHFFFAOYSA-N 1 2 327.344 0.897 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000527136479 439256325 /nfs/dbraw/zinc/25/63/25/439256325.db2.gz DJESZJMSBUQXDQ-NWDGAFQWSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000527136479 439256329 /nfs/dbraw/zinc/25/63/29/439256329.db2.gz DJESZJMSBUQXDQ-NWDGAFQWSA-N 1 2 341.408 0.773 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccnc2C2CC2)CC1 ZINC000490933586 439313847 /nfs/dbraw/zinc/31/38/47/439313847.db2.gz DZZALJXEEPAAMC-UHFFFAOYSA-N 1 2 340.427 0.856 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccnc2C2CC2)CC1 ZINC000490933586 439313853 /nfs/dbraw/zinc/31/38/53/439313853.db2.gz DZZALJXEEPAAMC-UHFFFAOYSA-N 1 2 340.427 0.856 20 30 ECEDLO COC(=O)NCCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000490946337 439315908 /nfs/dbraw/zinc/31/59/08/439315908.db2.gz CGYPVAFDICEBGQ-UHFFFAOYSA-N 1 2 330.388 0.949 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000490950688 439317899 /nfs/dbraw/zinc/31/78/99/439317899.db2.gz RLUJCWURWZRQFT-UHFFFAOYSA-N 1 2 348.399 0.869 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000491071371 439328062 /nfs/dbraw/zinc/32/80/62/439328062.db2.gz KJRYCAIECSNWLO-OAHLLOKOSA-N 1 2 337.370 0.365 20 30 ECEDLO NC(=O)[C@H]1CCCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528347092 439328359 /nfs/dbraw/zinc/32/83/59/439328359.db2.gz ATDWNCVIGCUNCX-OAHLLOKOSA-N 1 2 325.368 0.626 20 30 ECEDLO NC(=O)[C@H]1CCCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528347092 439328364 /nfs/dbraw/zinc/32/83/64/439328364.db2.gz ATDWNCVIGCUNCX-OAHLLOKOSA-N 1 2 325.368 0.626 20 30 ECEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC2(C1)OCCO2 ZINC000528414544 439335124 /nfs/dbraw/zinc/33/51/24/439335124.db2.gz QERLUCGTFPJPOF-UHFFFAOYSA-N 1 2 326.352 0.735 20 30 ECEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCC2(C1)OCCO2 ZINC000528414544 439335130 /nfs/dbraw/zinc/33/51/30/439335130.db2.gz QERLUCGTFPJPOF-UHFFFAOYSA-N 1 2 326.352 0.735 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000491126104 439336192 /nfs/dbraw/zinc/33/61/92/439336192.db2.gz KUFNNWQXDMPNIT-BBWFWOEESA-N 1 2 348.491 0.531 20 30 ECEDLO CNS(=O)(=O)CC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000598614199 439288615 /nfs/dbraw/zinc/28/86/15/439288615.db2.gz PKNCVAGLTHMZBW-UHFFFAOYSA-N 1 2 342.852 0.883 20 30 ECEDLO C#CCN(C(=O)Cn1c(C)[nH+]c2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000490742767 439293567 /nfs/dbraw/zinc/29/35/67/439293567.db2.gz YXGKPXMKXGQEQR-CQSZACIVSA-N 1 2 345.424 0.994 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CON=Cc2cccc(OC)c2OC)CC1 ZINC000490799348 439299861 /nfs/dbraw/zinc/29/98/61/439299861.db2.gz GLFRNWZVIWCNCH-UHFFFAOYSA-N 1 2 345.399 0.832 20 30 ECEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCC2(C#N)CC2)CC1 ZINC000569063450 439303110 /nfs/dbraw/zinc/30/31/10/439303110.db2.gz OFWZPZLUHFBIGO-CQSZACIVSA-N 1 2 333.436 0.628 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000490852800 439305278 /nfs/dbraw/zinc/30/52/78/439305278.db2.gz NVDNXVXZMUXCTL-UHFFFAOYSA-N 1 2 330.388 0.804 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC000490865653 439305685 /nfs/dbraw/zinc/30/56/85/439305685.db2.gz FVRIMQDISDHSIE-YESZJQIVSA-N 1 2 348.491 0.437 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC[C@@H](C)SC)CC1 ZINC000490897487 439310463 /nfs/dbraw/zinc/31/04/63/439310463.db2.gz BUSPXBHICFTXEP-CQSZACIVSA-N 1 2 325.478 0.802 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC[C@@H](C)SC)CC1 ZINC000490897487 439310466 /nfs/dbraw/zinc/31/04/66/439310466.db2.gz BUSPXBHICFTXEP-CQSZACIVSA-N 1 2 325.478 0.802 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000582249914 439310968 /nfs/dbraw/zinc/31/09/68/439310968.db2.gz CTLSSEPPYBREDC-OLZOCXBDSA-N 1 2 339.403 0.987 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000582249914 439310971 /nfs/dbraw/zinc/31/09/71/439310971.db2.gz CTLSSEPPYBREDC-OLZOCXBDSA-N 1 2 339.403 0.987 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2nc3ccccc3n2C)CC1 ZINC000491210581 439350335 /nfs/dbraw/zinc/35/03/35/439350335.db2.gz WGGSFPBBYGNASD-UHFFFAOYSA-N 1 2 325.416 0.440 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCn1cc(Br)cn1 ZINC000593155338 439350474 /nfs/dbraw/zinc/35/04/74/439350474.db2.gz PCANDEBHBRQMPP-LBPRGKRZSA-N 1 2 328.214 0.996 20 30 ECEDLO Cn1cc[nH+]c1[C@@H](Cc1ccccc1)NC(=O)NCC(=O)NCC#N ZINC000593409574 439379122 /nfs/dbraw/zinc/37/91/22/439379122.db2.gz ASVHDPCFWJWCEY-CQSZACIVSA-N 1 2 340.387 0.643 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@H](C)C(=O)NCC2CCCCC2)CC1 ZINC000491497306 439394242 /nfs/dbraw/zinc/39/42/42/439394242.db2.gz XAFCGZRYNNPMBP-MRXNPFEDSA-N 1 2 348.491 0.438 20 30 ECEDLO CC[C@@H](C#N)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000593442255 439383902 /nfs/dbraw/zinc/38/39/02/439383902.db2.gz QFQZEIIOVPGNHL-AWEZNQCLSA-N 1 2 329.404 0.786 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccsc2C#N)[C@@H](C)C1 ZINC000593579061 439412887 /nfs/dbraw/zinc/41/28/87/439412887.db2.gz RILMYOHSVKQHRQ-WDEREUQCSA-N 1 2 329.447 0.695 20 30 ECEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccsc2C#N)[C@@H](C)C1 ZINC000593579061 439412891 /nfs/dbraw/zinc/41/28/91/439412891.db2.gz RILMYOHSVKQHRQ-WDEREUQCSA-N 1 2 329.447 0.695 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2c(=O)cnc3ccc(OC)cc32)CC1 ZINC000491695973 439428655 /nfs/dbraw/zinc/42/86/55/439428655.db2.gz IHNPGVVTDSCJAP-UHFFFAOYSA-N 1 2 340.383 0.183 20 30 ECEDLO C#CCNS(=O)(=O)c1ccc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)cc1 ZINC000491697425 439429008 /nfs/dbraw/zinc/42/90/08/439429008.db2.gz KOHSORSINQQBNV-UHFFFAOYSA-N 1 2 346.412 0.986 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2cc(C(=O)OC)ccc2F)CC1 ZINC000491703289 439430925 /nfs/dbraw/zinc/43/09/25/439430925.db2.gz SJPYQKWEDYUSSM-UHFFFAOYSA-N 1 2 347.390 0.479 20 30 ECEDLO C#C[C@@H](CC)NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000491758995 439443250 /nfs/dbraw/zinc/44/32/50/439443250.db2.gz KUTPIJQJZRWSEF-INIZCTEOSA-N 1 2 342.443 0.901 20 30 ECEDLO CCN(CCC#N)C(=O)CN1CCc2[nH+]c[nH]c2[C@H]1c1ccnn1C ZINC000599444253 439471640 /nfs/dbraw/zinc/47/16/40/439471640.db2.gz HTVCKNVRTALGOX-QGZVFWFLSA-N 1 2 341.419 0.853 20 30 ECEDLO Cn1nccc1[C@H]1c2[nH]c[nH+]c2CCN1CC(=O)NC1(C#N)CCC1 ZINC000599445165 439472068 /nfs/dbraw/zinc/47/20/68/439472068.db2.gz LEDHRUTYFOQULD-INIZCTEOSA-N 1 2 339.403 0.653 20 30 ECEDLO CN(CCC#N)S(=O)(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000532422170 439517819 /nfs/dbraw/zinc/51/78/19/439517819.db2.gz GNGRQCBJVBNDEU-KBPBESRZSA-N 1 2 330.454 0.310 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc2c(n1)OCCO2 ZINC000594258481 439531344 /nfs/dbraw/zinc/53/13/44/439531344.db2.gz PROMPICVERKBNI-UHFFFAOYSA-N 1 2 346.387 0.541 20 30 ECEDLO C[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594311679 439539529 /nfs/dbraw/zinc/53/95/29/439539529.db2.gz JSVUXJQVYYDVLI-RWMBFGLXSA-N 1 2 345.403 0.506 20 30 ECEDLO C[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594311679 439539534 /nfs/dbraw/zinc/53/95/34/439539534.db2.gz JSVUXJQVYYDVLI-RWMBFGLXSA-N 1 2 345.403 0.506 20 30 ECEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000594314533 439541259 /nfs/dbraw/zinc/54/12/59/439541259.db2.gz KMVIDQXPLZYDNR-MAUKXSAKSA-N 1 2 345.443 0.888 20 30 ECEDLO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000599583364 439511175 /nfs/dbraw/zinc/51/11/75/439511175.db2.gz UVIAYSQCOYEDLF-AGIUHOORSA-N 1 2 326.393 0.714 20 30 ECEDLO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000599583364 439511179 /nfs/dbraw/zinc/51/11/79/439511179.db2.gz UVIAYSQCOYEDLF-AGIUHOORSA-N 1 2 326.393 0.714 20 30 ECEDLO Cc1cc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c(=O)n(C)c1 ZINC000531986471 439513125 /nfs/dbraw/zinc/51/31/25/439513125.db2.gz PMXFDCODCFBTPB-UHFFFAOYSA-N 1 2 347.419 0.774 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471311 439566338 /nfs/dbraw/zinc/56/63/38/439566338.db2.gz BVUHZWNWPZJUKC-MCIONIFRSA-N 1 2 332.470 0.554 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471311 439566341 /nfs/dbraw/zinc/56/63/41/439566341.db2.gz BVUHZWNWPZJUKC-MCIONIFRSA-N 1 2 332.470 0.554 20 30 ECEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N(C)Cc2cnn(C)c2)CC1 ZINC000609485569 439570891 /nfs/dbraw/zinc/57/08/91/439570891.db2.gz SPUFTDORJKBSIS-MRXNPFEDSA-N 1 2 332.452 0.544 20 30 ECEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000572340915 439574621 /nfs/dbraw/zinc/57/46/21/439574621.db2.gz PQEJYNARIGILHS-UHFFFAOYSA-N 1 2 326.404 0.837 20 30 ECEDLO COCC[N@@H+](Cc1cnc2c(C#N)cnn2c1)C[C@H](O)C(F)(F)F ZINC000594609169 439581409 /nfs/dbraw/zinc/58/14/09/439581409.db2.gz RDHGBDMNWSSXGD-LBPRGKRZSA-N 1 2 343.309 0.973 20 30 ECEDLO COCC[N@H+](Cc1cnc2c(C#N)cnn2c1)C[C@H](O)C(F)(F)F ZINC000594609169 439581413 /nfs/dbraw/zinc/58/14/13/439581413.db2.gz RDHGBDMNWSSXGD-LBPRGKRZSA-N 1 2 343.309 0.973 20 30 ECEDLO Cn1cc[nH+]c1CN1CCN(C(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000610325730 439610283 /nfs/dbraw/zinc/61/02/83/439610283.db2.gz LYKHCKGPCPLRSE-UHFFFAOYSA-N 1 2 342.407 0.880 20 30 ECEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610614982 439631710 /nfs/dbraw/zinc/63/17/10/439631710.db2.gz ZYCCEBODYAFVOY-MXWKQRLJSA-N 1 2 335.429 0.863 20 30 ECEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610614982 439631715 /nfs/dbraw/zinc/63/17/15/439631715.db2.gz ZYCCEBODYAFVOY-MXWKQRLJSA-N 1 2 335.429 0.863 20 30 ECEDLO N#CCN1CCC(NC(=O)C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000585726072 439645732 /nfs/dbraw/zinc/64/57/32/439645732.db2.gz WWHSUFYTXBWKNJ-UHFFFAOYSA-N 1 2 344.419 0.104 20 30 ECEDLO C[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2cccc(C#N)c2)[C@@H](C)CO1 ZINC000595125408 439657641 /nfs/dbraw/zinc/65/76/41/439657641.db2.gz IMPYIONKOAXYNM-STQMWFEESA-N 1 2 330.388 0.722 20 30 ECEDLO C[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cccc(C#N)c2)[C@@H](C)CO1 ZINC000595125408 439657645 /nfs/dbraw/zinc/65/76/45/439657645.db2.gz IMPYIONKOAXYNM-STQMWFEESA-N 1 2 330.388 0.722 20 30 ECEDLO C[C@]1(C#N)CCN(C(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000595165268 439665646 /nfs/dbraw/zinc/66/56/46/439665646.db2.gz JVHVHWIFCJCKGB-RHSMWYFYSA-N 1 2 328.372 0.823 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cc1cccc(C#N)c1 ZINC000600233387 439626717 /nfs/dbraw/zinc/62/67/17/439626717.db2.gz XUXOVIJYANZPPY-LJQANCHMSA-N 1 2 343.427 0.833 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cc1cccc(C#N)c1 ZINC000600233387 439626719 /nfs/dbraw/zinc/62/67/19/439626719.db2.gz XUXOVIJYANZPPY-LJQANCHMSA-N 1 2 343.427 0.833 20 30 ECEDLO CC(C)(C)n1nnc(CCN(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000595332545 439704190 /nfs/dbraw/zinc/70/41/90/439704190.db2.gz KFYVRCNKDWXYGW-UHFFFAOYSA-N 1 2 335.456 0.518 20 30 ECEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3cncc(C#N)n3)CC2)C1 ZINC000574558009 439712348 /nfs/dbraw/zinc/71/23/48/439712348.db2.gz ZLFQZIAWCSUFME-GASCZTMLSA-N 1 2 342.447 0.975 20 30 ECEDLO COCc1cccc(CNC(=O)C[NH+]2CCN(CCC#N)CC2)c1 ZINC000611176146 439677889 /nfs/dbraw/zinc/67/78/89/439677889.db2.gz URLYEAHJUYWQLZ-UHFFFAOYSA-N 1 2 330.432 0.980 20 30 ECEDLO C[C@H](O)C(=O)N1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000611225668 439682969 /nfs/dbraw/zinc/68/29/69/439682969.db2.gz XDAXMQLFBJWOBU-HOCLYGCPSA-N 1 2 347.415 0.017 20 30 ECEDLO N#Cc1ccnc(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)c1 ZINC000600683029 439688664 /nfs/dbraw/zinc/68/86/64/439688664.db2.gz PCDIATXTIBYDQF-INIZCTEOSA-N 1 2 337.383 0.979 20 30 ECEDLO N#Cc1ccnc(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)c1 ZINC000600683029 439688668 /nfs/dbraw/zinc/68/86/68/439688668.db2.gz PCDIATXTIBYDQF-INIZCTEOSA-N 1 2 337.383 0.979 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)nc1 ZINC000600685562 439690122 /nfs/dbraw/zinc/69/01/22/439690122.db2.gz VYDDYXJSZGSXCX-MRXNPFEDSA-N 1 2 337.383 0.979 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)nc1 ZINC000600685562 439690126 /nfs/dbraw/zinc/69/01/26/439690126.db2.gz VYDDYXJSZGSXCX-MRXNPFEDSA-N 1 2 337.383 0.979 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)CC(=O)N2CCCC2)CC1 ZINC000611370929 439695706 /nfs/dbraw/zinc/69/57/06/439695706.db2.gz IWPUROGCMFQUQL-INIZCTEOSA-N 1 2 349.479 0.233 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)CC(=O)N2CCCC2)CC1 ZINC000611370929 439695708 /nfs/dbraw/zinc/69/57/08/439695708.db2.gz IWPUROGCMFQUQL-INIZCTEOSA-N 1 2 349.479 0.233 20 30 ECEDLO COc1cc(C#N)ccc1NC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000613301437 439754680 /nfs/dbraw/zinc/75/46/80/439754680.db2.gz XRAJYFRXPLJRKY-UHFFFAOYSA-N 1 2 348.403 0.725 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc(O)cc(C#N)c1 ZINC000614366229 439775164 /nfs/dbraw/zinc/77/51/64/439775164.db2.gz XJUMLNMVEWJQBM-UHFFFAOYSA-N 1 2 328.372 0.952 20 30 ECEDLO C=CCCCNC(=O)C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000636830769 440058367 /nfs/dbraw/zinc/05/83/67/440058367.db2.gz HEOJPNWQPQRYLK-UHFFFAOYSA-N 1 2 333.436 1.519 20 30 ECEDLO C=CCC[C@H](CO)NC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000637526067 440291311 /nfs/dbraw/zinc/29/13/11/440291311.db2.gz FCLGLRRYDOOWRF-IAGOWNOFSA-N 1 2 348.447 0.909 20 30 ECEDLO C=CCC[C@H](CO)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000637526067 440291317 /nfs/dbraw/zinc/29/13/17/440291317.db2.gz FCLGLRRYDOOWRF-IAGOWNOFSA-N 1 2 348.447 0.909 20 30 ECEDLO CC#CC[C@H](CO)Nc1nc(N[C@H](CO)CC#CC)[nH+]cc1Cl ZINC000645405244 440801792 /nfs/dbraw/zinc/80/17/92/440801792.db2.gz ZNTGMXUOYSUZSY-OLZOCXBDSA-N 1 2 336.823 1.502 20 30 ECEDLO C=CCNC(=O)CN1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC000635157694 440772178 /nfs/dbraw/zinc/77/21/78/440772178.db2.gz SMSBGJBDIWVBBP-MRXNPFEDSA-N 1 2 347.463 0.917 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(CC(F)(F)CO)CC1 ZINC000639738968 440778427 /nfs/dbraw/zinc/77/84/27/440778427.db2.gz PLTIWRAFLGRAGC-AWEZNQCLSA-N 1 2 331.407 0.821 20 30 ECEDLO C=C(C)C[C@H]1NC(=O)N([C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1=O ZINC000630976503 440993776 /nfs/dbraw/zinc/99/37/76/440993776.db2.gz QTUMWKFBCUWRGM-OLZOCXBDSA-N 1 2 345.403 0.798 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(c3cc(C)nn3C)C2=O)nn1 ZINC000641099558 441057158 /nfs/dbraw/zinc/05/71/58/441057158.db2.gz JQORPIOBEWXOCC-CQSZACIVSA-N 1 2 327.392 0.411 20 30 ECEDLO N#Cc1nccn1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000539996730 322083326 /nfs/dbraw/zinc/08/33/26/322083326.db2.gz QTIKZUDOWZBJMZ-UHFFFAOYSA-N 1 2 339.399 0.903 20 30 ECEDLO N#Cc1cccc(N2CC[NH+](CC3CCS(=O)(=O)CC3)CC2)n1 ZINC000546917145 322123857 /nfs/dbraw/zinc/12/38/57/322123857.db2.gz RTRFWRIOJMLTLZ-UHFFFAOYSA-N 1 2 334.445 0.900 20 30 ECEDLO N#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000563106567 322298547 /nfs/dbraw/zinc/29/85/47/322298547.db2.gz XPUXJVIHEFDQCF-AWEZNQCLSA-N 1 2 343.387 0.215 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(CCOc2cccc(OC)c2)CC1 ZINC000164547375 527027859 /nfs/dbraw/zinc/02/78/59/527027859.db2.gz PAOHQZWSROJZAZ-INIZCTEOSA-N 1 2 345.443 0.830 20 30 ECEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2nc3c(cnn3C)c(=O)[nH]2)CC1 ZINC000328944071 546009605 /nfs/dbraw/zinc/00/96/05/546009605.db2.gz JCKOJPSJAAOCOW-JTQLQIEISA-N 1 2 345.407 0.698 20 30 ECEDLO CC(C)[C@H](C(=O)NC[C@H](C)[NH+]1CCOCC1)N1CCCS1(=O)=O ZINC000329162404 546015520 /nfs/dbraw/zinc/01/55/20/546015520.db2.gz FTGXTHFKWBABJP-UONOGXRCSA-N 1 2 347.481 0.724 20 30 ECEDLO CC(C)c1nnc2n1CCN(C(=O)N[C@H](C)C[NH+]1CCN(C)CC1)C2 ZINC000329410150 546022438 /nfs/dbraw/zinc/02/24/38/546022438.db2.gz BLQWTXHLZJRPNL-CQSZACIVSA-N 1 2 349.483 0.767 20 30 ECEDLO O=C(NCC#Cc1ccccc1)N(CCO)CC[NH+]1CCOCC1 ZINC000343304426 546095634 /nfs/dbraw/zinc/09/56/34/546095634.db2.gz RHGKJDOLYPKPFP-UHFFFAOYSA-N 1 2 331.416 0.374 20 30 ECEDLO COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000619709338 546360066 /nfs/dbraw/zinc/36/00/66/546360066.db2.gz HBXXLTYYJMUFCI-CQSZACIVSA-N 1 2 341.437 0.627 20 30 ECEDLO C[C@H](O)CN1CC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000619721683 546364596 /nfs/dbraw/zinc/36/45/96/546364596.db2.gz QTKSRSQYGBUYKC-SOLBZPMBSA-N 1 2 347.459 0.879 20 30 ECEDLO C[C@H](O)CN1CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000619721683 546364600 /nfs/dbraw/zinc/36/46/00/546364600.db2.gz QTKSRSQYGBUYKC-SOLBZPMBSA-N 1 2 347.459 0.879 20 30 ECEDLO N#Cc1ncn(CC(=O)N2CC[NH2+][C@@H](c3ccccc3Cl)C2)n1 ZINC000619777890 546367937 /nfs/dbraw/zinc/36/79/37/546367937.db2.gz FYDQUEAMXYFHTP-CYBMUJFWSA-N 1 2 330.779 0.976 20 30 ECEDLO C=C[C@](C)(O)C(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000619942465 546387506 /nfs/dbraw/zinc/38/75/06/546387506.db2.gz RTBPUSHUVXIOIL-ROUUACIJSA-N 1 2 334.416 0.303 20 30 ECEDLO C=C[C@](C)(O)C(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000619942465 546387511 /nfs/dbraw/zinc/38/75/11/546387511.db2.gz RTBPUSHUVXIOIL-ROUUACIJSA-N 1 2 334.416 0.303 20 30 ECEDLO C=CCCOCC(=O)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000619940925 546387764 /nfs/dbraw/zinc/38/77/64/546387764.db2.gz DVPNCQQCMOKZHP-LJQANCHMSA-N 1 2 348.443 0.959 20 30 ECEDLO C=CCCOCC(=O)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000619940925 546387768 /nfs/dbraw/zinc/38/77/68/546387768.db2.gz DVPNCQQCMOKZHP-LJQANCHMSA-N 1 2 348.443 0.959 20 30 ECEDLO C=CCOCCNC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000623870673 546851861 /nfs/dbraw/zinc/85/18/61/546851861.db2.gz IXYMMDYUDQLRJE-INIZCTEOSA-N 1 2 334.420 0.784 20 30 ECEDLO C=CCOCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000623870673 546851868 /nfs/dbraw/zinc/85/18/68/546851868.db2.gz IXYMMDYUDQLRJE-INIZCTEOSA-N 1 2 334.420 0.784 20 30 ECEDLO N#CCc1ccc(OC[C@H](O)C[NH+]2CCN(CCCCO)CC2)cc1 ZINC000749366539 579337232 /nfs/dbraw/zinc/33/72/32/579337232.db2.gz KYDGVQQAPCEMFE-GOSISDBHSA-N 1 2 347.459 0.882 20 30 ECEDLO COc1[nH+]c(N)nc(N2CCCC2)c1C=NNS(=O)(=O)C(C)C ZINC000749744617 579342618 /nfs/dbraw/zinc/34/26/18/579342618.db2.gz FPTQKBLEZQPMNN-UHFFFAOYSA-N 1 2 342.425 0.329 20 30 ECEDLO C#CCOCCNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000753172815 579396395 /nfs/dbraw/zinc/39/63/95/579396395.db2.gz FSQAGLLECIGPQH-GOSISDBHSA-N 1 2 345.443 0.879 20 30 ECEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)c1cc(O)cc(O)c1 ZINC000753689855 579404303 /nfs/dbraw/zinc/40/43/03/579404303.db2.gz RYCWKIYRWGJPPV-UHFFFAOYSA-N 1 2 338.433 0.618 20 30 ECEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(NN=Cc3c[nH]cn3)cc2)CC1 ZINC000755697204 579437512 /nfs/dbraw/zinc/43/75/12/579437512.db2.gz GMSNXOULYBKMIV-UHFFFAOYSA-N 1 2 348.432 0.792 20 30 ECEDLO N#Cc1ccccc1/C=C\C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000757109099 579459463 /nfs/dbraw/zinc/45/94/63/579459463.db2.gz HDYMELZPUYAKAB-WAYWQWQTSA-N 1 2 329.400 0.725 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)c2c(C)noc2C)CC1 ZINC000729281583 578294883 /nfs/dbraw/zinc/29/48/83/578294883.db2.gz ILRNKXZVXCGQOX-ZDUSSCGKSA-N 1 2 346.431 0.679 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)c2c(C)noc2C)CC1 ZINC000729281583 578294884 /nfs/dbraw/zinc/29/48/84/578294884.db2.gz ILRNKXZVXCGQOX-ZDUSSCGKSA-N 1 2 346.431 0.679 20 30 ECEDLO CN(C)S(=O)(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000731210422 578311362 /nfs/dbraw/zinc/31/13/62/578311362.db2.gz MGVRIPRXAHSGHW-UHFFFAOYSA-N 1 2 338.433 0.513 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(CCOC)C(=O)OC(C)(C)C)CC1 ZINC000733975634 578350810 /nfs/dbraw/zinc/35/08/10/578350810.db2.gz GVCDGUNUSLYPKH-UHFFFAOYSA-N 1 2 339.436 0.647 20 30 ECEDLO COC(=O)[C@@H]1CCCC(=NNC(=S)NCC[NH+]2CCOCC2)C1 ZINC000794867987 578600727 /nfs/dbraw/zinc/60/07/27/578600727.db2.gz CUHWOCLYSQIWDH-GFCCVEGCSA-N 1 2 342.465 0.502 20 30 ECEDLO CCOC(=O)C1(S(C)(=O)=O)CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000796584524 578626334 /nfs/dbraw/zinc/62/63/34/578626334.db2.gz MRRFEIOSDMKAOF-GFCCVEGCSA-N 1 2 332.422 0.357 20 30 ECEDLO C[C@@H](C(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1)n1cnc(C#N)n1 ZINC000798970323 578654920 /nfs/dbraw/zinc/65/49/20/578654920.db2.gz IVKXEWAISUPVJD-MNOVXSKESA-N 1 2 333.421 0.346 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC3(CNC(=O)O3)CC2)cc1 ZINC000781998625 578718431 /nfs/dbraw/zinc/71/84/31/578718431.db2.gz IUYNVYWGHPKFAQ-UHFFFAOYSA-N 1 2 349.412 0.906 20 30 ECEDLO COC(=O)[C@@H]1[C@@H](CN(CCC#N)CC[NH+]2CCOCC2)C1(F)F ZINC000787769424 578816228 /nfs/dbraw/zinc/81/62/28/578816228.db2.gz FSCMOEZDTRWLNK-OLZOCXBDSA-N 1 2 331.363 0.589 20 30 ECEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1C(=O)CSCC#N ZINC000787920947 578820970 /nfs/dbraw/zinc/82/09/70/578820970.db2.gz ZXEPTSVAGNOAGB-HNNXBMFYSA-N 1 2 343.412 0.899 20 30 ECEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCS(N)(=O)=O)CC1 ZINC000791626657 578891024 /nfs/dbraw/zinc/89/10/24/578891024.db2.gz YTOOXVDVTGQWSX-CQSZACIVSA-N 1 2 342.852 0.811 20 30 ECEDLO C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1nnnn1C1CC1 ZINC000792470427 578909223 /nfs/dbraw/zinc/90/92/23/578909223.db2.gz RWVPCXPIDYSCCR-LLVKDONJSA-N 1 2 325.376 0.847 20 30 ECEDLO COC(=O)c1cn(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)nn1 ZINC000793591602 578931661 /nfs/dbraw/zinc/93/16/61/578931661.db2.gz ONSJJBBBPRPTCO-LBPRGKRZSA-N 1 2 328.332 0.442 20 30 ECEDLO COC(=O)c1cn(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)nn1 ZINC000793591602 578931663 /nfs/dbraw/zinc/93/16/63/578931663.db2.gz ONSJJBBBPRPTCO-LBPRGKRZSA-N 1 2 328.332 0.442 20 30 ECEDLO CCN1C(=O)CN(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1=O ZINC000793606420 578931960 /nfs/dbraw/zinc/93/19/60/578931960.db2.gz HXFNRTLYDVTWBP-ZDUSSCGKSA-N 1 2 329.360 0.648 20 30 ECEDLO CCN1C(=O)CN(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1=O ZINC000793606420 578931961 /nfs/dbraw/zinc/93/19/61/578931961.db2.gz HXFNRTLYDVTWBP-ZDUSSCGKSA-N 1 2 329.360 0.648 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCOC[C@H]2c2c(C)n[nH]c2C)CC1 ZINC000766281045 579084648 /nfs/dbraw/zinc/08/46/48/579084648.db2.gz YCSQNFOVRQFYHQ-INIZCTEOSA-N 1 2 345.447 0.177 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(CN2CCOCC2)n1 ZINC000767889960 579118470 /nfs/dbraw/zinc/11/84/70/579118470.db2.gz PZVZRWKFGZAQFX-INIZCTEOSA-N 1 2 328.416 0.950 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(CN2CCOCC2)n1 ZINC000767889960 579118471 /nfs/dbraw/zinc/11/84/71/579118471.db2.gz PZVZRWKFGZAQFX-INIZCTEOSA-N 1 2 328.416 0.950 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)OC)CC1 ZINC000772480676 579207637 /nfs/dbraw/zinc/20/76/37/579207637.db2.gz YUPQKHMVVHQVIM-GJZGRUSLSA-N 1 2 342.461 0.689 20 30 ECEDLO C#C[C@H](NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[C@@H]1CCCO1 ZINC000773166995 579221630 /nfs/dbraw/zinc/22/16/30/579221630.db2.gz MYLWEQBIBPIGIO-HOTGVXAUSA-N 1 2 344.415 0.898 20 30 ECEDLO C#CCCCCC(=O)N1CC[NH+]([C@H](C)C(=O)NCCCOC)CC1 ZINC000773335416 579225146 /nfs/dbraw/zinc/22/51/46/579225146.db2.gz ZDJJGOZVQPPMFZ-MRXNPFEDSA-N 1 2 337.464 0.865 20 30 ECEDLO C#CCC[NH+]1CCN(CC(=O)N[C@@H](Cc2ccccc2)C(C)=O)CC1 ZINC000776592289 579285448 /nfs/dbraw/zinc/28/54/48/579285448.db2.gz DRQQNOFRUMLDCC-IBGZPJMESA-N 1 2 341.455 0.944 20 30 ECEDLO C[S@@](=O)CC[NH+]1CCN(C(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000760599893 579513256 /nfs/dbraw/zinc/51/32/56/579513256.db2.gz CYTYOZJXJNDRMH-XMMPIXPASA-N 1 2 349.456 0.654 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000761031281 579519823 /nfs/dbraw/zinc/51/98/23/579519823.db2.gz PSJAABUJHSGWEE-UHFFFAOYSA-N 1 2 348.428 0.174 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2Cc3ccccc32)CC1 ZINC000741140803 579766240 /nfs/dbraw/zinc/76/62/40/579766240.db2.gz QAFJQXWNEYKWGF-KRWDZBQOSA-N 1 2 325.412 0.610 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2Cc3ccccc32)CC1 ZINC000741140803 579766241 /nfs/dbraw/zinc/76/62/41/579766241.db2.gz QAFJQXWNEYKWGF-KRWDZBQOSA-N 1 2 325.412 0.610 20 30 ECEDLO C#CCNC(=O)[C@@H](C)OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741382278 579773005 /nfs/dbraw/zinc/77/30/05/579773005.db2.gz NUXQXMKFYXLKPL-ZBFHGGJFSA-N 1 2 330.384 0.569 20 30 ECEDLO C#CCNC(=O)[C@@H](C)OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741382278 579773007 /nfs/dbraw/zinc/77/30/07/579773007.db2.gz NUXQXMKFYXLKPL-ZBFHGGJFSA-N 1 2 330.384 0.569 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H](CC)Nc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000746259727 579834534 /nfs/dbraw/zinc/83/45/34/579834534.db2.gz NQXWUYGRDGEPCW-ZDUSSCGKSA-N 1 2 348.407 0.605 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000746468857 579840099 /nfs/dbraw/zinc/84/00/99/579840099.db2.gz QPCRUYANMPQNIN-GTAYFMOCSA-N 1 2 342.509 0.425 20 30 ECEDLO C#CCNC(=O)CON=C(N)c1cccc(C[NH+]2CCOCC2)c1 ZINC000747831146 579854978 /nfs/dbraw/zinc/85/49/78/579854978.db2.gz BZYBAWUVDKDILH-UHFFFAOYSA-N 1 2 330.388 0.115 20 30 ECEDLO CCc1ccccc1N1CC(=O)C(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)=N1 ZINC000834480844 588902001 /nfs/dbraw/zinc/90/20/01/588902001.db2.gz XAQSHEQHXRBIBF-CHWSQXEVSA-N 1 2 325.372 0.982 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1cnc(C2CC2)nc1 ZINC000841606415 588996381 /nfs/dbraw/zinc/99/63/81/588996381.db2.gz DXKCVMJPACUYSB-UHFFFAOYSA-N 1 2 334.449 0.484 20 30 ECEDLO C[C@H](CCC#N)C[NH+]1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 ZINC000895312701 586175792 /nfs/dbraw/zinc/17/57/92/586175792.db2.gz SFIQCGSPRALJFE-GFCCVEGCSA-N 1 2 336.483 0.516 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000891608460 586181464 /nfs/dbraw/zinc/18/14/64/586181464.db2.gz ZJMAPAYWZXUPJP-AWEZNQCLSA-N 1 2 328.347 0.850 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000891608460 586181465 /nfs/dbraw/zinc/18/14/65/586181465.db2.gz ZJMAPAYWZXUPJP-AWEZNQCLSA-N 1 2 328.347 0.850 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(NC(C)=O)c2)C1 ZINC000891607144 586181599 /nfs/dbraw/zinc/18/15/99/586181599.db2.gz RAVFYHBYLHGEFW-MRXNPFEDSA-N 1 2 342.399 0.797 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(NC(C)=O)c2)C1 ZINC000891607144 586181600 /nfs/dbraw/zinc/18/16/00/586181600.db2.gz RAVFYHBYLHGEFW-MRXNPFEDSA-N 1 2 342.399 0.797 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2ncnc3[nH]cc(CC)c32)CC1 ZINC000891617023 586182221 /nfs/dbraw/zinc/18/22/21/586182221.db2.gz QPNQPCZALNIEQS-UHFFFAOYSA-N 1 2 328.420 0.945 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2c(F)cccc2CC)CC1 ZINC000895923215 586213458 /nfs/dbraw/zinc/21/34/58/586213458.db2.gz WHWGXKICFMHTHM-UHFFFAOYSA-N 1 2 339.436 0.973 20 30 ECEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)cc1 ZINC000897283438 586294057 /nfs/dbraw/zinc/29/40/57/586294057.db2.gz LXWXOMLBUYRSOW-JSGCOSHPSA-N 1 2 336.417 0.312 20 30 ECEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCN3[C@@H](CNS3(=O)=O)C2)cc1 ZINC000897283438 586294059 /nfs/dbraw/zinc/29/40/59/586294059.db2.gz LXWXOMLBUYRSOW-JSGCOSHPSA-N 1 2 336.417 0.312 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1c(I)cnn1C ZINC000894374944 586389685 /nfs/dbraw/zinc/38/96/85/586389685.db2.gz HXTFESAQQDTSNG-UHFFFAOYSA-N 1 2 334.161 0.417 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCC(NS(=O)(=O)CC)CC1 ZINC000903005207 586765209 /nfs/dbraw/zinc/76/52/09/586765209.db2.gz VMJRNYYEHOGHJF-UHFFFAOYSA-N 1 2 331.482 0.815 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(NS(=O)(=O)CC)CC1 ZINC000903006313 586765307 /nfs/dbraw/zinc/76/53/07/586765307.db2.gz KWQAXCQRODTLKJ-ZDUSSCGKSA-N 1 2 344.481 0.398 20 30 ECEDLO C=CCN(C(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)C(C)C ZINC000839246711 586843597 /nfs/dbraw/zinc/84/35/97/586843597.db2.gz KCFDOLNFILZPIQ-UHFFFAOYSA-N 1 2 331.420 0.857 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=C1CC[C@@H]2[C@H]3OCC[C@H]3[C@H]12 ZINC000905422134 586891727 /nfs/dbraw/zinc/89/17/27/586891727.db2.gz JHOGHTKSDKCCRQ-DDHJSBNISA-N 1 2 338.477 0.584 20 30 ECEDLO C=CCn1c([C@H]2CCOC2)nnc1N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000800772714 586973625 /nfs/dbraw/zinc/97/36/25/586973625.db2.gz NHJABFXPLHEGHV-AWEZNQCLSA-N 1 2 348.451 0.178 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)nc1 ZINC000907066040 587011314 /nfs/dbraw/zinc/01/13/14/587011314.db2.gz RSDBTNKTBWYIDW-ZDUSSCGKSA-N 1 2 329.385 0.905 20 30 ECEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1CC2(CCOCC2)[C@H](O)C1=O ZINC000839961992 587015973 /nfs/dbraw/zinc/01/59/73/587015973.db2.gz ZMOKUCWHVNBOON-MRXNPFEDSA-N 1 2 329.400 0.947 20 30 ECEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1CC2(CCOCC2)[C@H](O)C1=O ZINC000839961992 587015976 /nfs/dbraw/zinc/01/59/76/587015976.db2.gz ZMOKUCWHVNBOON-MRXNPFEDSA-N 1 2 329.400 0.947 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccn3)n2CCOC)CC1 ZINC000802488382 587020267 /nfs/dbraw/zinc/02/02/67/587020267.db2.gz MBEIXIFREMNGRP-UHFFFAOYSA-N 1 2 340.431 0.666 20 30 ECEDLO COc1ccc(CNC(=O)C(=O)NCc2[nH+]ccn2C)cc1C#N ZINC000804623557 587088802 /nfs/dbraw/zinc/08/88/02/587088802.db2.gz CBXFYIJXIHVBGD-UHFFFAOYSA-N 1 2 327.344 0.233 20 30 ECEDLO COc1cc(F)cc(N[NH+]=Cc2c(=O)n(C)c(=O)n(C)c2N(C)C)c1 ZINC000807977671 587140570 /nfs/dbraw/zinc/14/05/70/587140570.db2.gz WWFXDKGPRZELRX-UHFFFAOYSA-N 1 2 349.366 0.744 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)[C@H]1CCCO1 ZINC000809313052 587175154 /nfs/dbraw/zinc/17/51/54/587175154.db2.gz QHFXXZGDWIFKMI-MELADBBJSA-N 1 2 330.388 0.413 20 30 ECEDLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000812196397 587232582 /nfs/dbraw/zinc/23/25/82/587232582.db2.gz PIVZTYPOAXXFSC-WCQYABFASA-N 1 2 348.407 0.978 20 30 ECEDLO C#Cc1cccc(CNC(=O)C(=O)NCC[N@H+]2CCOC[C@H]2C)c1 ZINC000817843761 587388894 /nfs/dbraw/zinc/38/88/94/587388894.db2.gz HRMBELCXYYXTBG-CQSZACIVSA-N 1 2 329.400 0.121 20 30 ECEDLO C#Cc1cccc(CNC(=O)C(=O)NCC[N@@H+]2CCOC[C@H]2C)c1 ZINC000817843761 587388896 /nfs/dbraw/zinc/38/88/96/587388896.db2.gz HRMBELCXYYXTBG-CQSZACIVSA-N 1 2 329.400 0.121 20 30 ECEDLO CNC(=O)COc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)c(C)c1 ZINC000819480124 587480350 /nfs/dbraw/zinc/48/03/50/587480350.db2.gz AXJXPQHVBBWCDY-AWEZNQCLSA-N 1 2 334.420 0.738 20 30 ECEDLO CNC(=O)COc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)c(C)c1 ZINC000819480124 587480352 /nfs/dbraw/zinc/48/03/52/587480352.db2.gz AXJXPQHVBBWCDY-AWEZNQCLSA-N 1 2 334.420 0.738 20 30 ECEDLO CC(C)C#CC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000824870101 587899821 /nfs/dbraw/zinc/89/98/21/587899821.db2.gz NKLYTRBDMNETMZ-UHFFFAOYSA-N 1 2 328.416 0.896 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@]2(O)CCCC(C)(C)C2)CC1 ZINC000826550987 588069705 /nfs/dbraw/zinc/06/97/05/588069705.db2.gz YDDWNFDTYHLCHO-LJQANCHMSA-N 1 2 349.475 0.601 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@]2(O)CCCC(C)(C)C2)CC1 ZINC000826550987 588069707 /nfs/dbraw/zinc/06/97/07/588069707.db2.gz YDDWNFDTYHLCHO-LJQANCHMSA-N 1 2 349.475 0.601 20 30 ECEDLO N#Cc1ccc(F)c(C(=O)N2CC[NH+](CCn3cncn3)CC2)c1 ZINC000828477753 588182101 /nfs/dbraw/zinc/18/21/01/588182101.db2.gz HUEQULGUBYOHPL-UHFFFAOYSA-N 1 2 328.351 0.747 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H](OC)C(F)(F)F)CC1 ZINC000845443351 589150281 /nfs/dbraw/zinc/15/02/81/589150281.db2.gz WYEGCUPWPSWPID-LBPRGKRZSA-N 1 2 349.353 0.238 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](OC)C(F)(F)F)CC1 ZINC000845443351 589150283 /nfs/dbraw/zinc/15/02/83/589150283.db2.gz WYEGCUPWPSWPID-LBPRGKRZSA-N 1 2 349.353 0.238 20 30 ECEDLO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000845939718 589177063 /nfs/dbraw/zinc/17/70/63/589177063.db2.gz BKRGVAMJIPEGQT-GFCCVEGCSA-N 1 2 346.368 0.965 20 30 ECEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000846341729 589197250 /nfs/dbraw/zinc/19/72/50/589197250.db2.gz REXFRKVLRGMQTO-MRXNPFEDSA-N 1 2 346.431 0.506 20 30 ECEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000846341729 589197252 /nfs/dbraw/zinc/19/72/52/589197252.db2.gz REXFRKVLRGMQTO-MRXNPFEDSA-N 1 2 346.431 0.506 20 30 ECEDLO CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000846723936 589220633 /nfs/dbraw/zinc/22/06/33/589220633.db2.gz PBBLVVHZOYGXLN-OAHLLOKOSA-N 1 2 341.371 0.063 20 30 ECEDLO O=C1Nc2cc3c(cc2C1=NNCCCn1cc[nH+]c1)OCCO3 ZINC000848417464 589292785 /nfs/dbraw/zinc/29/27/85/589292785.db2.gz AKRPITNZHIZDOW-UHFFFAOYSA-N 1 2 327.344 0.990 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccn(C3CCOCC3)n2)CC1 ZINC000849320152 589325558 /nfs/dbraw/zinc/32/55/58/589325558.db2.gz LPDWMMZVVFCABH-UHFFFAOYSA-N 1 2 331.420 0.424 20 30 ECEDLO C#CCCN(CCOC)C(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000850709615 589381307 /nfs/dbraw/zinc/38/13/07/589381307.db2.gz APUFMPSOZZDSLL-UHFFFAOYSA-N 1 2 332.404 0.614 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)C[C@@]2(OC(C)C)CCOC2)CC1 ZINC000851757336 589420993 /nfs/dbraw/zinc/42/09/93/589420993.db2.gz TYZPMGHCNINBGS-MRXNPFEDSA-N 1 2 344.477 0.541 20 30 ECEDLO C#CC[N@@H+](CCCN1C(=O)NC(C)(C)C1=O)CC(=O)OC(C)(C)C ZINC000852429149 589495370 /nfs/dbraw/zinc/49/53/70/589495370.db2.gz DEBVJPYBGYVCFP-UHFFFAOYSA-N 1 2 337.420 0.984 20 30 ECEDLO C#CC[N@H+](CCCN1C(=O)NC(C)(C)C1=O)CC(=O)OC(C)(C)C ZINC000852429149 589495372 /nfs/dbraw/zinc/49/53/72/589495372.db2.gz DEBVJPYBGYVCFP-UHFFFAOYSA-N 1 2 337.420 0.984 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@H](N3CCOC3=O)C2)c1 ZINC000852436835 589496531 /nfs/dbraw/zinc/49/65/31/589496531.db2.gz OGDMOPMIQFSIHK-CQSZACIVSA-N 1 2 349.412 0.858 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](N3CCOC3=O)C2)c1 ZINC000852436835 589496533 /nfs/dbraw/zinc/49/65/33/589496533.db2.gz OGDMOPMIQFSIHK-CQSZACIVSA-N 1 2 349.412 0.858 20 30 ECEDLO O=[S@]1CCCC(=NNC(=S)NCC[NH+]2CCOCC2)CC1 ZINC000853263513 589539164 /nfs/dbraw/zinc/53/91/64/589539164.db2.gz OIHSIMFINYAMNE-NRFANRHFSA-N 1 2 332.495 0.071 20 30 ECEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000855411177 589630279 /nfs/dbraw/zinc/63/02/79/589630279.db2.gz OGRSKNZXSQUUKO-KGLIPLIRSA-N 1 2 330.384 0.992 20 30 ECEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000855411177 589630281 /nfs/dbraw/zinc/63/02/81/589630281.db2.gz OGRSKNZXSQUUKO-KGLIPLIRSA-N 1 2 330.384 0.992 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)C#Cc2ccc3c(c2)OCO3)[C@@H](C)CO1 ZINC000855411178 589630473 /nfs/dbraw/zinc/63/04/73/589630473.db2.gz OGRSKNZXSQUUKO-UONOGXRCSA-N 1 2 330.384 0.992 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)C#Cc2ccc3c(c2)OCO3)[C@@H](C)CO1 ZINC000855411178 589630474 /nfs/dbraw/zinc/63/04/74/589630474.db2.gz OGRSKNZXSQUUKO-UONOGXRCSA-N 1 2 330.384 0.992 20 30 ECEDLO N#CC1(NC(=O)C[N@@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)CCC1 ZINC000856556592 589667043 /nfs/dbraw/zinc/66/70/43/589667043.db2.gz PJZPIAKZCTVRGK-LSDHHAIUSA-N 1 2 341.415 0.399 20 30 ECEDLO N#CC1(NC(=O)C[N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)CCC1 ZINC000856556592 589667045 /nfs/dbraw/zinc/66/70/45/589667045.db2.gz PJZPIAKZCTVRGK-LSDHHAIUSA-N 1 2 341.415 0.399 20 30 ECEDLO N#Cc1cc(F)cc(S(=O)(=O)NCCC[NH+]2CCOCC2)c1 ZINC000866379611 589737246 /nfs/dbraw/zinc/73/72/46/589737246.db2.gz RIAXMVUYADLMSI-UHFFFAOYSA-N 1 2 327.381 0.698 20 30 ECEDLO COCC[NH+]1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC1 ZINC000866438835 589742038 /nfs/dbraw/zinc/74/20/38/589742038.db2.gz NUFNFAIOJSJGOU-UHFFFAOYSA-N 1 2 327.381 0.650 20 30 ECEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NCc2ccc(OCC#N)cc2)C1 ZINC000866719825 589763720 /nfs/dbraw/zinc/76/37/20/589763720.db2.gz DOJFTWAYPASKQP-OAHLLOKOSA-N 1 2 339.417 0.339 20 30 ECEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NCc2ccc(OCC#N)cc2)C1 ZINC000866719825 589763723 /nfs/dbraw/zinc/76/37/23/589763723.db2.gz DOJFTWAYPASKQP-OAHLLOKOSA-N 1 2 339.417 0.339 20 30 ECEDLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000866764953 589771355 /nfs/dbraw/zinc/77/13/55/589771355.db2.gz YMVPNXIPRPNMLI-AWEZNQCLSA-N 1 2 349.391 0.766 20 30 ECEDLO C=CC[C@H](NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)c1ccncc1 ZINC000866794266 589778078 /nfs/dbraw/zinc/77/80/78/589778078.db2.gz IOUJAHJBSADVAB-CABCVRRESA-N 1 2 325.434 0.949 20 30 ECEDLO C=CC[C@H](NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)c1ccncc1 ZINC000866794266 589778080 /nfs/dbraw/zinc/77/80/80/589778080.db2.gz IOUJAHJBSADVAB-CABCVRRESA-N 1 2 325.434 0.949 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@]1(C#N)CCCOC1 ZINC000869400164 589963277 /nfs/dbraw/zinc/96/32/77/589963277.db2.gz AKBYDPLYXBQHKD-DOTOQJQBSA-N 1 2 337.420 0.039 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@]1(C#N)CCCOC1 ZINC000869400164 589963279 /nfs/dbraw/zinc/96/32/79/589963279.db2.gz AKBYDPLYXBQHKD-DOTOQJQBSA-N 1 2 337.420 0.039 20 30 ECEDLO N#Cc1ccc(OCC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000870077483 589998691 /nfs/dbraw/zinc/99/86/91/589998691.db2.gz VPLSXSQEKHUTGY-QGZVFWFLSA-N 1 2 345.399 0.497 20 30 ECEDLO COc1cncc(C=NNC(=S)NCC[NH+]2CCOCC2)c1C ZINC000872329749 590114906 /nfs/dbraw/zinc/11/49/06/590114906.db2.gz XOWRGQMNERKDNV-UHFFFAOYSA-N 1 2 337.449 0.529 20 30 ECEDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](CCO)C(C)(C)C2)c(C#N)c1 ZINC000872476565 590119922 /nfs/dbraw/zinc/11/99/22/590119922.db2.gz ZAPVIEAHJZKEAS-UHFFFAOYSA-N 1 2 337.445 0.944 20 30 ECEDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](CCO)C(C)(C)C2)c(C#N)c1 ZINC000872476565 590119923 /nfs/dbraw/zinc/11/99/23/590119923.db2.gz ZAPVIEAHJZKEAS-UHFFFAOYSA-N 1 2 337.445 0.944 20 30 ECEDLO CCO[C@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)[C@@H]1CCOC1 ZINC000865070808 590123070 /nfs/dbraw/zinc/12/30/70/590123070.db2.gz XDSFWJVSOFYFLJ-CVEARBPZSA-N 1 2 339.436 0.502 20 30 ECEDLO CCO[C@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)[C@H]1CCOC1 ZINC000865070809 590123137 /nfs/dbraw/zinc/12/31/37/590123137.db2.gz XDSFWJVSOFYFLJ-HOTGVXAUSA-N 1 2 339.436 0.502 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)cnc2F)CC1 ZINC000865177640 590130061 /nfs/dbraw/zinc/13/00/61/590130061.db2.gz GFTWRLKXWYZADA-UHFFFAOYSA-N 1 2 332.379 0.426 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)cnc2F)CC1 ZINC000865177640 590130063 /nfs/dbraw/zinc/13/00/63/590130063.db2.gz GFTWRLKXWYZADA-UHFFFAOYSA-N 1 2 332.379 0.426 20 30 ECEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1 ZINC000873083324 590182086 /nfs/dbraw/zinc/18/20/86/590182086.db2.gz OKKZVAGCZZSWDG-INIZCTEOSA-N 1 2 344.419 0.115 20 30 ECEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1 ZINC000873083324 590182088 /nfs/dbraw/zinc/18/20/88/590182088.db2.gz OKKZVAGCZZSWDG-INIZCTEOSA-N 1 2 344.419 0.115 20 30 ECEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000874345476 590232866 /nfs/dbraw/zinc/23/28/66/590232866.db2.gz FXPXIIULMZFXLN-OAHLLOKOSA-N 1 2 330.388 0.724 20 30 ECEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000874345476 590232868 /nfs/dbraw/zinc/23/28/68/590232868.db2.gz FXPXIIULMZFXLN-OAHLLOKOSA-N 1 2 330.388 0.724 20 30 ECEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000874347463 590233281 /nfs/dbraw/zinc/23/32/81/590233281.db2.gz GVASFZMEKNKKLV-CQSZACIVSA-N 1 2 348.378 0.863 20 30 ECEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000874347463 590233284 /nfs/dbraw/zinc/23/32/84/590233284.db2.gz GVASFZMEKNKKLV-CQSZACIVSA-N 1 2 348.378 0.863 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000875600992 590313468 /nfs/dbraw/zinc/31/34/68/590313468.db2.gz GAPDSYMQZKZNQZ-GDBMZVCRSA-N 1 2 329.400 0.444 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000875600992 590313471 /nfs/dbraw/zinc/31/34/71/590313471.db2.gz GAPDSYMQZKZNQZ-GDBMZVCRSA-N 1 2 329.400 0.444 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000875608442 590315547 /nfs/dbraw/zinc/31/55/47/590315547.db2.gz WIYZTSDTJLZTMM-IRXDYDNUSA-N 1 2 343.427 0.656 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000875608442 590315550 /nfs/dbraw/zinc/31/55/50/590315550.db2.gz WIYZTSDTJLZTMM-IRXDYDNUSA-N 1 2 343.427 0.656 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879763138 590342218 /nfs/dbraw/zinc/34/22/18/590342218.db2.gz BWGZJWLITABGKZ-ZDUSSCGKSA-N 1 2 334.342 0.891 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879763138 590342221 /nfs/dbraw/zinc/34/22/21/590342221.db2.gz BWGZJWLITABGKZ-ZDUSSCGKSA-N 1 2 334.342 0.891 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)CC1 ZINC000128119254 590354804 /nfs/dbraw/zinc/35/48/04/590354804.db2.gz SHORIOZMYOUQNF-GOSISDBHSA-N 1 2 339.439 0.998 20 30 ECEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2cccc(C(=O)OC)n2)CC1 ZINC000880484273 590395751 /nfs/dbraw/zinc/39/57/51/590395751.db2.gz SNYIOQIGOZEPDR-UHFFFAOYSA-N 1 2 331.372 0.657 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]3CCNC(=O)[C@H]32)cc1 ZINC000880529118 590399897 /nfs/dbraw/zinc/39/98/97/590399897.db2.gz JHYOMXPEHYMMFJ-RDJZCZTQSA-N 1 2 326.400 0.775 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H]3CCNC(=O)[C@H]32)cc1 ZINC000880529118 590399901 /nfs/dbraw/zinc/39/99/01/590399901.db2.gz JHYOMXPEHYMMFJ-RDJZCZTQSA-N 1 2 326.400 0.775 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2nccn2CC(F)F)CC1 ZINC000878049518 590494290 /nfs/dbraw/zinc/49/42/90/590494290.db2.gz KKUHETVYYSXVIX-UHFFFAOYSA-N 1 2 325.363 0.015 20 30 ECEDLO C#CCNC(=O)CN1CCN(Cc2[nH+]ccn2CC(F)F)CC1 ZINC000878049518 590494291 /nfs/dbraw/zinc/49/42/91/590494291.db2.gz KKUHETVYYSXVIX-UHFFFAOYSA-N 1 2 325.363 0.015 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(CN3CCOCC3)o2)CC1 ZINC000878423411 590520231 /nfs/dbraw/zinc/52/02/31/590520231.db2.gz HHOKEMSPECKNNV-UHFFFAOYSA-N 1 2 331.416 0.893 20 30 ECEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000878505892 590525309 /nfs/dbraw/zinc/52/53/09/590525309.db2.gz VSOJFXJADHFUJW-UONOGXRCSA-N 1 2 348.465 0.477 20 30 ECEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000878505892 590525311 /nfs/dbraw/zinc/52/53/11/590525311.db2.gz VSOJFXJADHFUJW-UONOGXRCSA-N 1 2 348.465 0.477 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000879223490 590572195 /nfs/dbraw/zinc/57/21/95/590572195.db2.gz RWERBWGZGLZPNO-NEPJUHHUSA-N 1 2 340.424 0.986 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000879223490 590572197 /nfs/dbraw/zinc/57/21/97/590572197.db2.gz RWERBWGZGLZPNO-NEPJUHHUSA-N 1 2 340.424 0.986 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)c2ccc(CCC#N)cc2)CC[N@@H+]1CCO ZINC000885119754 590685373 /nfs/dbraw/zinc/68/53/73/590685373.db2.gz JWZLUMPOKRDRDV-AWEZNQCLSA-N 1 2 337.445 0.830 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)c2ccc(CCC#N)cc2)CC[N@H+]1CCO ZINC000885119754 590685376 /nfs/dbraw/zinc/68/53/76/590685376.db2.gz JWZLUMPOKRDRDV-AWEZNQCLSA-N 1 2 337.445 0.830 20 30 ECEDLO N#Cc1cc(Cl)ccc1Cn1cc(C[NH+](CCO)CCO)nn1 ZINC000884000301 590701701 /nfs/dbraw/zinc/70/17/01/590701701.db2.gz QBGGYXJFZQAIRM-UHFFFAOYSA-N 1 2 335.795 0.638 20 30 ECEDLO C[NH+](C)[C@H](C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccccc1 ZINC000885317390 590715308 /nfs/dbraw/zinc/71/53/08/590715308.db2.gz UHRBIRLOSDIKPY-VYDXJSESSA-N 1 2 347.440 0.686 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CCOCC(F)(F)F)C1 ZINC000885511305 590730193 /nfs/dbraw/zinc/73/01/93/590730193.db2.gz FLUMYYXFDHGJPY-NSHDSACASA-N 1 2 328.356 0.582 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CCOCC(F)(F)F)C1 ZINC000885511305 590730197 /nfs/dbraw/zinc/73/01/97/590730197.db2.gz FLUMYYXFDHGJPY-NSHDSACASA-N 1 2 328.356 0.582 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)OC)cc2)C1 ZINC000885514169 590730332 /nfs/dbraw/zinc/73/03/32/590730332.db2.gz RKURHHGBQCYMLG-CQSZACIVSA-N 1 2 336.413 0.849 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)OC)cc2)C1 ZINC000885514169 590730335 /nfs/dbraw/zinc/73/03/35/590730335.db2.gz RKURHHGBQCYMLG-CQSZACIVSA-N 1 2 336.413 0.849 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000884231971 590784041 /nfs/dbraw/zinc/78/40/41/590784041.db2.gz FRPONMBZVRBKIA-QWRGUYRKSA-N 1 2 337.342 0.528 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(CCC)C(=O)C1(C)C ZINC000884333321 590807944 /nfs/dbraw/zinc/80/79/44/590807944.db2.gz KNLCHFUOAWHLNX-LBPRGKRZSA-N 1 2 325.409 0.292 20 30 ECEDLO Oc1c(F)cc(F)cc1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000884380676 590817184 /nfs/dbraw/zinc/81/71/84/590817184.db2.gz JWTBGMIKJIFULN-UHFFFAOYSA-N 1 2 344.387 0.801 20 30 ECEDLO C#CC[C@@H]1CCN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)C1 ZINC000884591947 590864761 /nfs/dbraw/zinc/86/47/61/590864761.db2.gz BVTRCVGJFDSEJO-OAHLLOKOSA-N 1 2 348.472 0.867 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCn2nc(C(=O)OC)cc21 ZINC000889853597 591106115 /nfs/dbraw/zinc/10/61/15/591106115.db2.gz SGGBIIODLISULU-OCCSQVGLSA-N 1 2 330.388 0.718 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCn2nc(C(=O)OC)cc21 ZINC000889853597 591106119 /nfs/dbraw/zinc/10/61/19/591106119.db2.gz SGGBIIODLISULU-OCCSQVGLSA-N 1 2 330.388 0.718 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2OC)C1 ZINC000946617570 611367660 /nfs/dbraw/zinc/36/76/60/611367660.db2.gz DXZAPTPTCKOIAB-ZIAGYGMSSA-N 1 2 332.404 0.581 20 30 ECEDLO C=CCC[C@@H]1NC(=O)N(C2CC[NH+](CCS(C)(=O)=O)CC2)C1=O ZINC000927491387 611606565 /nfs/dbraw/zinc/60/65/65/611606565.db2.gz BZJNIWNMOATANT-ZDUSSCGKSA-N 1 2 343.449 0.382 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)C[C@H]1C ZINC000947032070 611619329 /nfs/dbraw/zinc/61/93/29/611619329.db2.gz JPVRYRLSQHPFAB-MNOVXSKESA-N 1 2 343.229 0.551 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)C[C@H]1C ZINC000947032070 611619331 /nfs/dbraw/zinc/61/93/31/611619331.db2.gz JPVRYRLSQHPFAB-MNOVXSKESA-N 1 2 343.229 0.551 20 30 ECEDLO Cc1ccc(CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc1C#N ZINC000932476989 611632834 /nfs/dbraw/zinc/63/28/34/611632834.db2.gz PTEPKGYHUORRJG-UHFFFAOYSA-N 1 2 326.400 0.790 20 30 ECEDLO CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000937353468 608615651 /nfs/dbraw/zinc/61/56/51/608615651.db2.gz SHEPLVBGDNBGKA-CVEARBPZSA-N 1 2 340.427 0.918 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CC(=O)N(CCC)C3)CC2)C1 ZINC000949483296 608701688 /nfs/dbraw/zinc/70/16/88/608701688.db2.gz PKQIXOUTFCSXFA-INIZCTEOSA-N 1 2 347.459 0.572 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CC(=O)N(CCC)C3)CC2)C1 ZINC000949483296 608701689 /nfs/dbraw/zinc/70/16/89/608701689.db2.gz PKQIXOUTFCSXFA-INIZCTEOSA-N 1 2 347.459 0.572 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)CCc3cn(C)nc3C)CC2)C1 ZINC000949487508 608705614 /nfs/dbraw/zinc/70/56/14/608705614.db2.gz TUOLEDGDSLEXIF-UHFFFAOYSA-N 1 2 344.459 0.988 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)CCc3cn(C)nc3C)CC2)C1 ZINC000949487508 608705616 /nfs/dbraw/zinc/70/56/16/608705616.db2.gz TUOLEDGDSLEXIF-UHFFFAOYSA-N 1 2 344.459 0.988 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3cn(C)nn3)[C@H](C)C2)c1 ZINC000947711757 611663298 /nfs/dbraw/zinc/66/32/98/611663298.db2.gz YELBUNANDOIKKJ-CZUORRHYSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3cn(C)nn3)[C@H](C)C2)c1 ZINC000947711757 611663300 /nfs/dbraw/zinc/66/33/00/611663300.db2.gz YELBUNANDOIKKJ-CZUORRHYSA-N 1 2 338.415 0.974 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[NH+](C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000949667182 608842188 /nfs/dbraw/zinc/84/21/88/608842188.db2.gz PGLOXZSCYVSUGM-CQSZACIVSA-N 1 2 343.493 0.624 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCN2C(=O)NC(C)(C)C2=O)c1 ZINC000052131071 608863037 /nfs/dbraw/zinc/86/30/37/608863037.db2.gz QMYXBSUDZXQHED-UHFFFAOYSA-N 1 2 342.399 0.869 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCN2C(=O)NC(C)(C)C2=O)c1 ZINC000052131071 608863033 /nfs/dbraw/zinc/86/30/33/608863033.db2.gz QMYXBSUDZXQHED-UHFFFAOYSA-N 1 2 342.399 0.869 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1nncn1C ZINC000947216015 608937274 /nfs/dbraw/zinc/93/72/74/608937274.db2.gz CVBBZWMRLSIESS-VXGBXAGGSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1nncn1C ZINC000947216015 608937275 /nfs/dbraw/zinc/93/72/75/608937275.db2.gz CVBBZWMRLSIESS-VXGBXAGGSA-N 1 2 327.392 0.798 20 30 ECEDLO O=C(NCC#CCO)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000923782083 608940862 /nfs/dbraw/zinc/94/08/62/608940862.db2.gz IZUWNFVQOQYULH-UHFFFAOYSA-N 1 2 347.415 0.193 20 30 ECEDLO C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000936722595 609016853 /nfs/dbraw/zinc/01/68/53/609016853.db2.gz GRPIELINMIPXJG-YESZJQIVSA-N 1 2 347.459 0.875 20 30 ECEDLO C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000936722595 609016856 /nfs/dbraw/zinc/01/68/56/609016856.db2.gz GRPIELINMIPXJG-YESZJQIVSA-N 1 2 347.459 0.875 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)[nH]1 ZINC000938179001 609492767 /nfs/dbraw/zinc/49/27/67/609492767.db2.gz RPPKTWIXJUXCHO-YNEHKIRRSA-N 1 2 338.371 0.744 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)[nH]1 ZINC000938179001 609492769 /nfs/dbraw/zinc/49/27/69/609492769.db2.gz RPPKTWIXJUXCHO-YNEHKIRRSA-N 1 2 338.371 0.744 20 30 ECEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2csnc2C(=O)OC)CC1 ZINC000921438832 609716666 /nfs/dbraw/zinc/71/66/66/609716666.db2.gz KRKVVNFNCRKCBI-UHFFFAOYSA-N 1 2 343.430 0.306 20 30 ECEDLO C[C@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H](C)N1CC#N ZINC000913876811 609830154 /nfs/dbraw/zinc/83/01/54/609830154.db2.gz MOMILLPLHSHDOF-GJZGRUSLSA-N 1 2 337.468 0.725 20 30 ECEDLO C=CCn1c(Cc2noc([C@@H](C)[NH+](C)C)n2)nnc1N1CCOCC1 ZINC000923855976 609889875 /nfs/dbraw/zinc/88/98/75/609889875.db2.gz BVRWBYHMHPFJQH-GFCCVEGCSA-N 1 2 347.423 0.897 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2coc(CN3CC[C@H](O)C3)n2)C1 ZINC000923599084 609964065 /nfs/dbraw/zinc/96/40/65/609964065.db2.gz ZSRBWFBTDLKNGE-KGLIPLIRSA-N 1 2 332.404 0.069 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2coc(CN3CC[C@H](O)C3)n2)C1 ZINC000923599084 609964066 /nfs/dbraw/zinc/96/40/66/609964066.db2.gz ZSRBWFBTDLKNGE-KGLIPLIRSA-N 1 2 332.404 0.069 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000939407204 610192922 /nfs/dbraw/zinc/19/29/22/610192922.db2.gz ZQQKIEWQUOOIRW-ZFWWWQNUSA-N 1 2 343.431 0.981 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnn4ccc(C)cc34)CC2)C1 ZINC000941444500 610309214 /nfs/dbraw/zinc/30/92/14/610309214.db2.gz PKCLYAYDGWDHCT-UHFFFAOYSA-N 1 2 337.427 0.718 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(NC(C)=O)cn3)CC2)C1 ZINC000941430846 610312091 /nfs/dbraw/zinc/31/20/91/610312091.db2.gz DGOAWVRTRUMTFU-UHFFFAOYSA-N 1 2 341.415 0.115 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cn4c(n3)CC[C@@H](C)C4)CC2)C1 ZINC000941456870 610319065 /nfs/dbraw/zinc/31/90/65/610319065.db2.gz VBYHLVWBMLANHG-OAHLLOKOSA-N 1 2 341.459 0.541 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCn4nccc43)CC2)C1 ZINC000941463093 610321627 /nfs/dbraw/zinc/32/16/27/610321627.db2.gz LMNNLRCGXWSEQD-QGZVFWFLSA-N 1 2 341.459 0.612 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3nc4cnccc4s3)CC2)C1 ZINC000941480959 610335460 /nfs/dbraw/zinc/33/54/60/610335460.db2.gz URTDGFMGJPOJIU-UHFFFAOYSA-N 1 2 341.440 0.767 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnc(Cl)n3C)CC2)C1 ZINC000941484817 610337410 /nfs/dbraw/zinc/33/74/10/610337410.db2.gz ILRFOVJTVGIKEL-UHFFFAOYSA-N 1 2 335.839 0.539 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000940719062 610345692 /nfs/dbraw/zinc/34/56/92/610345692.db2.gz QKXJZXBEMWDACK-KEYYUXOJSA-N 1 2 346.431 0.959 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3ncccc3F)CC2)C1 ZINC000941533355 610364819 /nfs/dbraw/zinc/36/48/19/610364819.db2.gz BJWXKIZCAJUMQK-UHFFFAOYSA-N 1 2 330.407 0.615 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCc3csc(C)n3)CC2)C1 ZINC000941593929 610389100 /nfs/dbraw/zinc/38/91/00/610389100.db2.gz XYJNUCMWTAWKKW-UHFFFAOYSA-N 1 2 332.473 0.846 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3nc(C4CC4)oc3C)CC2)C1 ZINC000941623235 610427090 /nfs/dbraw/zinc/42/70/90/610427090.db2.gz UMGSIJPKEJPLJH-UHFFFAOYSA-N 1 2 328.416 0.936 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)COc3cc(F)ccc3F)CC2)C1 ZINC000941643179 610436659 /nfs/dbraw/zinc/43/66/59/610436659.db2.gz RVBNFPUJZRUAJV-UHFFFAOYSA-N 1 2 349.381 0.805 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c(C)nn(CC)c3Cl)CC2)C1 ZINC000941670601 610444291 /nfs/dbraw/zinc/44/42/91/610444291.db2.gz YNWKGSBQODRDRV-UHFFFAOYSA-N 1 2 349.866 0.940 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)CN(C)c3ccccc3)CC2)C1 ZINC000941682470 610461935 /nfs/dbraw/zinc/46/19/35/610461935.db2.gz UOLACKSGRBRILJ-UHFFFAOYSA-N 1 2 326.444 0.584 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)C3CCOCC3)CC2)C1 ZINC000941690261 610465463 /nfs/dbraw/zinc/46/54/63/610465463.db2.gz HYWMIJBHLOGZAU-INIZCTEOSA-N 1 2 333.476 0.901 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000941088772 610530789 /nfs/dbraw/zinc/53/07/89/610530789.db2.gz LGFRVYBZBCVIRL-CQSZACIVSA-N 1 2 341.415 0.981 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3ncnn3C)C[C@@H]2C)c1 ZINC000942613724 610538095 /nfs/dbraw/zinc/53/80/95/610538095.db2.gz AGPNXOYYSWETJD-XJKSGUPXSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3ncnn3C)C[C@@H]2C)c1 ZINC000942613724 610538098 /nfs/dbraw/zinc/53/80/98/610538098.db2.gz AGPNXOYYSWETJD-XJKSGUPXSA-N 1 2 338.415 0.832 20 30 ECEDLO Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)[nH]1 ZINC000941965917 610588244 /nfs/dbraw/zinc/58/82/44/610588244.db2.gz FDGPLJNAEQMTIB-MFKMUULPSA-N 1 2 327.392 0.953 20 30 ECEDLO Cc1nnc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)[nH]1 ZINC000941965917 610588245 /nfs/dbraw/zinc/58/82/45/610588245.db2.gz FDGPLJNAEQMTIB-MFKMUULPSA-N 1 2 327.392 0.953 20 30 ECEDLO CO[C@H](C)C(=O)N1CCN(C2C[NH+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000941332936 610669756 /nfs/dbraw/zinc/66/97/56/610669756.db2.gz QAWXKQGOYVRRRN-OAHLLOKOSA-N 1 2 342.443 0.922 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c[nH]c(CC(C)C)n3)CC2)C1 ZINC000941408798 610722886 /nfs/dbraw/zinc/72/28/86/610722886.db2.gz UUFSMVWNJGXCIF-UHFFFAOYSA-N 1 2 329.448 0.683 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2CCCCN(C(=O)Cc3[nH]cc[nH+]3)C2)c[nH]1 ZINC000943199274 610744079 /nfs/dbraw/zinc/74/40/79/610744079.db2.gz MAWAQTPFGOBLJS-CYBMUJFWSA-N 1 2 340.387 0.963 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)C2CCS(=O)(=O)CC2)[C@@H](C)C1 ZINC000943229469 610755733 /nfs/dbraw/zinc/75/57/33/610755733.db2.gz CPUZYYOJAKWBJI-DZGCQCFKSA-N 1 2 326.462 0.661 20 30 ECEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)C2CCS(=O)(=O)CC2)[C@@H](C)C1 ZINC000943229469 610755735 /nfs/dbraw/zinc/75/57/35/610755735.db2.gz CPUZYYOJAKWBJI-DZGCQCFKSA-N 1 2 326.462 0.661 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)CCn2cc[nH+]c2)[nH]1 ZINC000944162015 610760067 /nfs/dbraw/zinc/76/00/67/610760067.db2.gz ISOMFWDTFZGCJH-CQSZACIVSA-N 1 2 340.387 0.894 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC000944393488 610849046 /nfs/dbraw/zinc/84/90/46/610849046.db2.gz GPYKAOUCHFPPRR-CQSZACIVSA-N 1 2 329.404 0.884 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)CCc3[nH+]ccn3C)C2)CC1 ZINC000945031237 610887430 /nfs/dbraw/zinc/88/74/30/610887430.db2.gz SABVBTWKMIQIFV-CQSZACIVSA-N 1 2 343.431 0.963 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3CC(=O)NC3=O)CC2)cc1 ZINC000929362695 611748696 /nfs/dbraw/zinc/74/86/96/611748696.db2.gz JELCKQNHNURVNH-HNNXBMFYSA-N 1 2 340.383 0.255 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cnn(C)n3)[C@H](C)C2)cn1 ZINC000947949577 611753134 /nfs/dbraw/zinc/75/31/34/611753134.db2.gz XQJPYVBVWBADDQ-CZUORRHYSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnn(C)n3)[C@H](C)C2)cn1 ZINC000947949577 611753136 /nfs/dbraw/zinc/75/31/36/611753136.db2.gz XQJPYVBVWBADDQ-CZUORRHYSA-N 1 2 338.415 0.974 20 30 ECEDLO CCN(C(=O)c1cc(C#N)c[nH]1)C1C[NH+](C[C@H]2CCc3ncnn32)C1 ZINC000949854338 611783424 /nfs/dbraw/zinc/78/34/24/611783424.db2.gz NGOVXSMSOIWXKA-CYBMUJFWSA-N 1 2 339.403 0.812 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)[nH]1 ZINC000950617489 611794780 /nfs/dbraw/zinc/79/47/80/611794780.db2.gz WTOLMVUIGBAADQ-ZDUSSCGKSA-N 1 2 340.387 0.963 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC000950768805 611899391 /nfs/dbraw/zinc/89/93/91/611899391.db2.gz YGPLQIRUKYJGAS-YNEHKIRRSA-N 1 2 338.371 0.744 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC000950768805 611899393 /nfs/dbraw/zinc/89/93/93/611899393.db2.gz YGPLQIRUKYJGAS-YNEHKIRRSA-N 1 2 338.371 0.744 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000950232848 611917910 /nfs/dbraw/zinc/91/79/10/611917910.db2.gz LLVYWFCEHKSDHY-MJBXVCDLSA-N 1 2 332.404 0.651 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000949283677 611927746 /nfs/dbraw/zinc/92/77/46/611927746.db2.gz QSQRHBFELPYVBQ-ZDUSSCGKSA-N 1 2 340.387 0.583 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3nnn(C(C)(C)C)n3)CC2)C1 ZINC000949369956 611954712 /nfs/dbraw/zinc/95/47/12/611954712.db2.gz ILCIERDFRVOFBZ-UHFFFAOYSA-N 1 2 346.435 0.368 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3nnn(C(C)(C)C)n3)CC2)C1 ZINC000949369956 611954714 /nfs/dbraw/zinc/95/47/14/611954714.db2.gz ILCIERDFRVOFBZ-UHFFFAOYSA-N 1 2 346.435 0.368 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](OC)[C@H]3CCOC3)CC2)C1 ZINC000949427549 611975768 /nfs/dbraw/zinc/97/57/68/611975768.db2.gz PBGVYVUYJNECHR-JKSUJKDBSA-N 1 2 336.432 0.365 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H](OC)[C@H]3CCOC3)CC2)C1 ZINC000949427549 611975770 /nfs/dbraw/zinc/97/57/70/611975770.db2.gz PBGVYVUYJNECHR-JKSUJKDBSA-N 1 2 336.432 0.365 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cc(C(N)=O)cs3)CC2)C1 ZINC000949531839 612023496 /nfs/dbraw/zinc/02/34/96/612023496.db2.gz QZTZDBIEZLWCJL-UHFFFAOYSA-N 1 2 347.440 0.787 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cc(C(N)=O)cs3)CC2)C1 ZINC000949531839 612023497 /nfs/dbraw/zinc/02/34/97/612023497.db2.gz QZTZDBIEZLWCJL-UHFFFAOYSA-N 1 2 347.440 0.787 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000953164663 612187830 /nfs/dbraw/zinc/18/78/30/612187830.db2.gz CNZUDRNDLCNVBR-SFHVURJKSA-N 1 2 326.400 0.817 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000952066940 612210356 /nfs/dbraw/zinc/21/03/56/612210356.db2.gz KPIIIECEAGSRAM-LZWOXQAQSA-N 1 2 346.431 0.959 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000952067439 612210422 /nfs/dbraw/zinc/21/04/22/612210422.db2.gz WUSBCAKWUKOUGE-MCIONIFRSA-N 1 2 332.404 0.651 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)C2CN(C(=O)Cc3c[nH+]cn3C)C2)c1 ZINC000955263783 612393395 /nfs/dbraw/zinc/39/33/95/612393395.db2.gz JYDNYHFBLPFTBE-UHFFFAOYSA-N 1 2 337.383 0.322 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000953990100 612528087 /nfs/dbraw/zinc/52/80/87/612528087.db2.gz MFVBBKMWYZYZHW-UHFFFAOYSA-N 1 2 326.360 0.525 20 30 ECEDLO C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000956804785 612568572 /nfs/dbraw/zinc/56/85/72/612568572.db2.gz VFLZFIFCWUFPLS-KRWDZBQOSA-N 1 2 340.387 0.894 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)CCn3cc[nH+]c3)C2)nc1 ZINC000954912417 612781793 /nfs/dbraw/zinc/78/17/93/612781793.db2.gz JLJLJGNZGKQGFY-UHFFFAOYSA-N 1 2 337.383 0.633 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000954403513 612893354 /nfs/dbraw/zinc/89/33/54/612893354.db2.gz UXPQAWDZSHCLOW-CVEARBPZSA-N 1 2 346.431 0.613 20 30 ECEDLO C=CCn1cccc1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001024982946 738459382 /nfs/dbraw/zinc/45/93/82/738459382.db2.gz GPUCVXJFPFXNEI-CQSZACIVSA-N 1 2 343.435 0.982 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccc3nccn32)[C@@H](n2ccnn2)C1 ZINC001069977052 790269835 /nfs/dbraw/zinc/26/98/35/790269835.db2.gz IMMPHERLHALELH-ZBFHGGJFSA-N 1 2 349.398 0.604 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cccc3nccn32)[C@@H](n2ccnn2)C1 ZINC001069977052 790269838 /nfs/dbraw/zinc/26/98/38/790269838.db2.gz IMMPHERLHALELH-ZBFHGGJFSA-N 1 2 349.398 0.604 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)cncc2C)[C@@H](n2ccnn2)C1 ZINC001069977794 790270530 /nfs/dbraw/zinc/27/05/30/790270530.db2.gz FQHLAMWUPRKLPB-CVEARBPZSA-N 1 2 338.415 0.969 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c(C)cncc2C)[C@@H](n2ccnn2)C1 ZINC001069977794 790270533 /nfs/dbraw/zinc/27/05/33/790270533.db2.gz FQHLAMWUPRKLPB-CVEARBPZSA-N 1 2 338.415 0.969 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000969274171 731663480 /nfs/dbraw/zinc/66/34/80/731663480.db2.gz HIHDWUKKKAZCAX-CLWVCHIJSA-N 1 2 341.415 0.807 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000969275031 731664527 /nfs/dbraw/zinc/66/45/27/731664527.db2.gz PMSJQOHKUKVXDO-ZQDZILKHSA-N 1 2 341.415 0.807 20 30 ECEDLO N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2[nH]cc[nH+]2)[nH]1 ZINC000969744760 732309543 /nfs/dbraw/zinc/30/95/43/732309543.db2.gz INXIARMUENXAMC-BETUJISGSA-N 1 2 338.371 0.668 20 30 ECEDLO C=CCn1cc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2nnc(C)o2)nn1 ZINC001025108263 738664114 /nfs/dbraw/zinc/66/41/14/738664114.db2.gz WOCSASAJMOFUGU-CYBMUJFWSA-N 1 2 345.407 0.940 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@H]21 ZINC001083198849 733102406 /nfs/dbraw/zinc/10/24/06/733102406.db2.gz UOGUVTJLUVQJGD-LTIDMASMSA-N 1 2 346.431 0.423 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](Cc3cnn(C)c3)C[C@@H]21 ZINC001083198849 733102407 /nfs/dbraw/zinc/10/24/07/733102407.db2.gz UOGUVTJLUVQJGD-LTIDMASMSA-N 1 2 346.431 0.423 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@@H]2O)C1 ZINC000970403147 733475249 /nfs/dbraw/zinc/47/52/49/733475249.db2.gz OOAMBRQDJVZIDT-YUELXQCFSA-N 1 2 346.431 0.633 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@@H]2O)C1 ZINC000970403147 733475252 /nfs/dbraw/zinc/47/52/52/733475252.db2.gz OOAMBRQDJVZIDT-YUELXQCFSA-N 1 2 346.431 0.633 20 30 ECEDLO N#Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3ncn[nH]3)C2)c(F)c1 ZINC000970445515 733542532 /nfs/dbraw/zinc/54/25/32/733542532.db2.gz FZCHCWZBOQKZPE-CYBMUJFWSA-N 1 2 328.351 0.749 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H](C)C2C[NH+](Cc3cnc(C)nc3)C2)nn1 ZINC000970544997 733662072 /nfs/dbraw/zinc/66/20/72/733662072.db2.gz USSDFVCSJYRMDK-GFCCVEGCSA-N 1 2 341.419 0.813 20 30 ECEDLO C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000970762868 733920277 /nfs/dbraw/zinc/92/02/77/733920277.db2.gz HJNVVUAFWOPGAQ-BZNIZROVSA-N 1 2 344.390 0.912 20 30 ECEDLO C[C@H](CNC(=O)CCc1[nH+]ccn1C)CNc1cnc(C#N)cn1 ZINC001104289801 733951639 /nfs/dbraw/zinc/95/16/39/733951639.db2.gz UZUFYHKVDQRGLJ-LBPRGKRZSA-N 1 2 327.392 0.879 20 30 ECEDLO N#Cc1cccnc1NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001111583968 734026970 /nfs/dbraw/zinc/02/69/70/734026970.db2.gz YZYYLJNHKCQAJL-ZIAGYGMSSA-N 1 2 340.387 0.713 20 30 ECEDLO N#Cc1cccnc1NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001111583968 734026972 /nfs/dbraw/zinc/02/69/72/734026972.db2.gz YZYYLJNHKCQAJL-ZIAGYGMSSA-N 1 2 340.387 0.713 20 30 ECEDLO CC(C)N(CCN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125439062 734071755 /nfs/dbraw/zinc/07/17/55/734071755.db2.gz JFEXHCZJRMAOIP-HNNXBMFYSA-N 1 2 346.435 0.352 20 30 ECEDLO CC(C)N(CCN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125439062 734071757 /nfs/dbraw/zinc/07/17/57/734071757.db2.gz JFEXHCZJRMAOIP-HNNXBMFYSA-N 1 2 346.435 0.352 20 30 ECEDLO CC(C)N(CCN(C)c1ccnc(C#N)n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125439188 734072594 /nfs/dbraw/zinc/07/25/94/734072594.db2.gz KTURZSKKCFVFRD-AWEZNQCLSA-N 1 2 346.435 0.352 20 30 ECEDLO CC(C)N(CCN(C)c1ccnc(C#N)n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125439188 734072598 /nfs/dbraw/zinc/07/25/98/734072598.db2.gz KTURZSKKCFVFRD-AWEZNQCLSA-N 1 2 346.435 0.352 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971047132 734207415 /nfs/dbraw/zinc/20/74/15/734207415.db2.gz WVTFTCNUIRKLDQ-SNVBAGLBSA-N 1 2 329.202 0.114 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971047132 734207419 /nfs/dbraw/zinc/20/74/19/734207419.db2.gz WVTFTCNUIRKLDQ-SNVBAGLBSA-N 1 2 329.202 0.114 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4ccccn4)c3)[C@H]2C1 ZINC001083211352 734227162 /nfs/dbraw/zinc/22/71/62/734227162.db2.gz VBOXZYKLZYMTJU-JKSUJKDBSA-N 1 2 337.383 0.426 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4ccccn4)c3)[C@H]2C1 ZINC001083211352 734227164 /nfs/dbraw/zinc/22/71/64/734227164.db2.gz VBOXZYKLZYMTJU-JKSUJKDBSA-N 1 2 337.383 0.426 20 30 ECEDLO CC#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CS(C)(=O)=O ZINC001025210323 738810876 /nfs/dbraw/zinc/81/08/76/738810876.db2.gz PPPFMKDRNSPRCM-GJZGRUSLSA-N 1 2 326.462 0.900 20 30 ECEDLO CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CS(C)(=O)=O ZINC001025210323 738810881 /nfs/dbraw/zinc/81/08/81/738810881.db2.gz PPPFMKDRNSPRCM-GJZGRUSLSA-N 1 2 326.462 0.900 20 30 ECEDLO N#Cc1ccc(N2CCO[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)nc1 ZINC001104350148 734524294 /nfs/dbraw/zinc/52/42/94/734524294.db2.gz POKMCNMXKNTBMT-CQSZACIVSA-N 1 2 326.360 0.240 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001098551977 734558844 /nfs/dbraw/zinc/55/88/44/734558844.db2.gz RAKHQYBLRWIUIW-CQSZACIVSA-N 1 2 346.435 0.546 20 30 ECEDLO N#Cc1ccc(N2CCO[C@@H](CNC(=O)CCc3c[nH]c[nH+]3)C2)nc1 ZINC001104352684 734599849 /nfs/dbraw/zinc/59/98/49/734599849.db2.gz FEYKWUWZLSFAOD-HNNXBMFYSA-N 1 2 340.387 0.631 20 30 ECEDLO N#Cc1ccc(N2CCO[C@@H](CNC(=O)CCc3c[nH+]c[nH]3)C2)nc1 ZINC001104352684 734599851 /nfs/dbraw/zinc/59/98/51/734599851.db2.gz FEYKWUWZLSFAOD-HNNXBMFYSA-N 1 2 340.387 0.631 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CC1 ZINC001111489601 734882462 /nfs/dbraw/zinc/88/24/62/734882462.db2.gz FMEGLVKUBRPBGG-XZDPQHSOSA-N 1 2 335.448 0.825 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CC1 ZINC001111489601 734882464 /nfs/dbraw/zinc/88/24/64/734882464.db2.gz FMEGLVKUBRPBGG-XZDPQHSOSA-N 1 2 335.448 0.825 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccc[nH]3)C2)c(F)c1 ZINC001078208708 782493791 /nfs/dbraw/zinc/49/37/91/782493791.db2.gz VUUHQZGQMYJTKG-IAGOWNOFSA-N 1 2 342.374 0.929 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccc[nH]3)C2)c(F)c1 ZINC001078208708 782493795 /nfs/dbraw/zinc/49/37/95/782493795.db2.gz VUUHQZGQMYJTKG-IAGOWNOFSA-N 1 2 342.374 0.929 20 30 ECEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC000972214756 735796201 /nfs/dbraw/zinc/79/62/01/735796201.db2.gz CRGWRPMRZZZRDF-HNNXBMFYSA-N 1 2 344.390 0.996 20 30 ECEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC000972214756 735796203 /nfs/dbraw/zinc/79/62/03/735796203.db2.gz CRGWRPMRZZZRDF-HNNXBMFYSA-N 1 2 344.390 0.996 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)CCc3cnn[nH]3)C2)C1=O ZINC000972370513 736025049 /nfs/dbraw/zinc/02/50/49/736025049.db2.gz PWUWZZSCCKCMPD-HUUCEWRRSA-N 1 2 346.435 0.057 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)CCc3cnn[nH]3)C2)C1=O ZINC000972370513 736025055 /nfs/dbraw/zinc/02/50/55/736025055.db2.gz PWUWZZSCCKCMPD-HUUCEWRRSA-N 1 2 346.435 0.057 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn(CCOC)nc3C)C2)C1 ZINC000972380949 736049924 /nfs/dbraw/zinc/04/99/24/736049924.db2.gz NADPVJYBIUFMAN-SFHVURJKSA-N 1 2 348.447 0.941 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(CCOC)nc3C)C2)C1 ZINC000972380949 736049928 /nfs/dbraw/zinc/04/99/28/736049928.db2.gz NADPVJYBIUFMAN-SFHVURJKSA-N 1 2 348.447 0.941 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 ZINC000972413290 736149035 /nfs/dbraw/zinc/14/90/35/736149035.db2.gz HMKSCTCWXYFQHK-QGZVFWFLSA-N 1 2 327.388 0.832 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 ZINC000972413290 736149037 /nfs/dbraw/zinc/14/90/37/736149037.db2.gz HMKSCTCWXYFQHK-QGZVFWFLSA-N 1 2 327.388 0.832 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3cn(C)nc3C)C2)C1 ZINC000972415997 736153064 /nfs/dbraw/zinc/15/30/64/736153064.db2.gz BYZSTJPUJLQRCC-SFHVURJKSA-N 1 2 330.432 0.598 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cn(C)nc3C)C2)C1 ZINC000972415997 736153068 /nfs/dbraw/zinc/15/30/68/736153068.db2.gz BYZSTJPUJLQRCC-SFHVURJKSA-N 1 2 330.432 0.598 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc(C(N)=O)c3)C2)C1 ZINC000972437868 736193826 /nfs/dbraw/zinc/19/38/26/736193826.db2.gz MIXBZWYSPSCFIV-GOSISDBHSA-N 1 2 329.400 0.888 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc(C(N)=O)c3)C2)C1 ZINC000972437868 736193830 /nfs/dbraw/zinc/19/38/30/736193830.db2.gz MIXBZWYSPSCFIV-GOSISDBHSA-N 1 2 329.400 0.888 20 30 ECEDLO N#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000972441617 736202117 /nfs/dbraw/zinc/20/21/17/736202117.db2.gz SVNFRGGOBFGTKV-PBHICJAKSA-N 1 2 329.404 0.272 20 30 ECEDLO CC#CCN1CCO[C@@]2(CCN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC000972443514 736206368 /nfs/dbraw/zinc/20/63/68/736206368.db2.gz HWSUMKYIIBAZLZ-SFHVURJKSA-N 1 2 346.431 0.676 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3c(C)nc[nH]c3=O)C2)C1 ZINC000972450420 736232766 /nfs/dbraw/zinc/23/27/66/736232766.db2.gz UZFROHXQNDHAOZ-GOSISDBHSA-N 1 2 346.431 0.913 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)cn3C)C2)C1 ZINC000972453566 736236970 /nfs/dbraw/zinc/23/69/70/736236970.db2.gz PFSPGSBWSFPGBV-SFHVURJKSA-N 1 2 344.415 0.064 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)cn3C)C2)C1 ZINC000972453566 736236972 /nfs/dbraw/zinc/23/69/72/736236972.db2.gz PFSPGSBWSFPGBV-SFHVURJKSA-N 1 2 344.415 0.064 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)cc(C)[nH]c3=O)C2)C1 ZINC000972488412 736344464 /nfs/dbraw/zinc/34/44/64/736344464.db2.gz YFWFSIDYRBBCHP-SFHVURJKSA-N 1 2 329.400 0.954 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)cc(C)[nH]c3=O)C2)C1 ZINC000972488412 736344468 /nfs/dbraw/zinc/34/44/68/736344468.db2.gz YFWFSIDYRBBCHP-SFHVURJKSA-N 1 2 329.400 0.954 20 30 ECEDLO N#Cc1cccnc1NCC1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001067487034 736354284 /nfs/dbraw/zinc/35/42/84/736354284.db2.gz APBSQQQEXUPGAD-UHFFFAOYSA-N 1 2 340.387 0.684 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCc4nn(C)cc43)C2)C1 ZINC000972517316 736529830 /nfs/dbraw/zinc/52/98/30/736529830.db2.gz DWMJWDQJFXZUPW-DNVCBOLYSA-N 1 2 342.443 0.777 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCc4nn(C)cc43)C2)C1 ZINC000972517316 736529832 /nfs/dbraw/zinc/52/98/32/736529832.db2.gz DWMJWDQJFXZUPW-DNVCBOLYSA-N 1 2 342.443 0.777 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccoc3CC(N)=O)C2)C1 ZINC000972523722 736567477 /nfs/dbraw/zinc/56/74/77/736567477.db2.gz LTMXQJSQDSHOHL-GOSISDBHSA-N 1 2 345.399 0.248 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccoc3CC(N)=O)C2)C1 ZINC000972523722 736567480 /nfs/dbraw/zinc/56/74/80/736567480.db2.gz LTMXQJSQDSHOHL-GOSISDBHSA-N 1 2 345.399 0.248 20 30 ECEDLO Cn1ncnc1C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001023318350 736673381 /nfs/dbraw/zinc/67/33/81/736673381.db2.gz GWVJVWZDRRUXAJ-GFCCVEGCSA-N 1 2 327.392 0.657 20 30 ECEDLO Cn1ncnc1C[N@H+]1CCC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001023318350 736673385 /nfs/dbraw/zinc/67/33/85/736673385.db2.gz GWVJVWZDRRUXAJ-GFCCVEGCSA-N 1 2 327.392 0.657 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3cc(Cl)cn3)C2)C1 ZINC000972573837 736893769 /nfs/dbraw/zinc/89/37/69/736893769.db2.gz TURCVDBQQJPPIX-MRXNPFEDSA-N 1 2 336.823 0.863 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3cc(Cl)cn3)C2)C1 ZINC000972573837 736893771 /nfs/dbraw/zinc/89/37/71/736893771.db2.gz TURCVDBQQJPPIX-MRXNPFEDSA-N 1 2 336.823 0.863 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3cc(Cl)cn3)C2)C1 ZINC000972573836 736893850 /nfs/dbraw/zinc/89/38/50/736893850.db2.gz TURCVDBQQJPPIX-INIZCTEOSA-N 1 2 336.823 0.863 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3cc(Cl)cn3)C2)C1 ZINC000972573836 736893854 /nfs/dbraw/zinc/89/38/54/736893854.db2.gz TURCVDBQQJPPIX-INIZCTEOSA-N 1 2 336.823 0.863 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC[C@H](C)C3)C2)C1 ZINC000972584929 736965195 /nfs/dbraw/zinc/96/51/95/736965195.db2.gz CUCUDWLWSGMZHZ-LPHOPBHVSA-N 1 2 347.459 0.572 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC[C@H](C)C3)C2)C1 ZINC000972584929 736965198 /nfs/dbraw/zinc/96/51/98/736965198.db2.gz CUCUDWLWSGMZHZ-LPHOPBHVSA-N 1 2 347.459 0.572 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN3C(=O)C3CC3)C2)C1 ZINC000972585870 736974846 /nfs/dbraw/zinc/97/48/46/736974846.db2.gz RRUROBBDFWVSOI-QFBILLFUSA-N 1 2 345.443 0.324 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN3C(=O)C3CC3)C2)C1 ZINC000972585870 736974850 /nfs/dbraw/zinc/97/48/50/736974850.db2.gz RRUROBBDFWVSOI-QFBILLFUSA-N 1 2 345.443 0.324 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)Cc3cnn(C)c3)C2)C1 ZINC000972617651 737108443 /nfs/dbraw/zinc/10/84/43/737108443.db2.gz RNRLZSBRCUKOSA-QFBILLFUSA-N 1 2 344.459 0.925 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)Cc3cnn(C)c3)C2)C1 ZINC000972617651 737108445 /nfs/dbraw/zinc/10/84/45/737108445.db2.gz RNRLZSBRCUKOSA-QFBILLFUSA-N 1 2 344.459 0.925 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)C2)C1 ZINC000972639303 737202594 /nfs/dbraw/zinc/20/25/94/737202594.db2.gz RGMKHICGALAZSH-BEFAXECRSA-N 1 2 342.443 0.841 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)C2)C1 ZINC000972639303 737202595 /nfs/dbraw/zinc/20/25/95/737202595.db2.gz RGMKHICGALAZSH-BEFAXECRSA-N 1 2 342.443 0.841 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(N(C)C)nn3)C2)C1 ZINC000972640217 737205223 /nfs/dbraw/zinc/20/52/23/737205223.db2.gz GZGWBFRNWCGZPK-KRWDZBQOSA-N 1 2 331.420 0.646 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(N(C)C)nn3)C2)C1 ZINC000972640217 737205224 /nfs/dbraw/zinc/20/52/24/737205224.db2.gz GZGWBFRNWCGZPK-KRWDZBQOSA-N 1 2 331.420 0.646 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC(=O)N3C)C2)C1 ZINC000972659585 737270965 /nfs/dbraw/zinc/27/09/65/737270965.db2.gz OFIHTSFBZLGRSV-QAPCUYQASA-N 1 2 333.432 0.324 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC(=O)N3C)C2)C1 ZINC000972659585 737270969 /nfs/dbraw/zinc/27/09/69/737270969.db2.gz OFIHTSFBZLGRSV-QAPCUYQASA-N 1 2 333.432 0.324 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(NC(N)=O)cc3)C2)C1 ZINC000972662970 737279169 /nfs/dbraw/zinc/27/91/69/737279169.db2.gz WTHAXWXNBKHIES-SFHVURJKSA-N 1 2 342.399 0.727 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(NC(N)=O)cc3)C2)C1 ZINC000972662970 737279171 /nfs/dbraw/zinc/27/91/71/737279171.db2.gz WTHAXWXNBKHIES-SFHVURJKSA-N 1 2 342.399 0.727 20 30 ECEDLO C#CCCN1CCO[C@]2(CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000972675624 737348078 /nfs/dbraw/zinc/34/80/78/737348078.db2.gz CSDWIYZYTDOOOG-PKOBYXMFSA-N 1 2 349.475 0.281 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(=O)Nc3cc(C)on3)C2)C1 ZINC000972676190 737349650 /nfs/dbraw/zinc/34/96/50/737349650.db2.gz FCFUADIEHHBGDV-KRWDZBQOSA-N 1 2 346.387 0.248 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(=O)Nc3cc(C)on3)C2)C1 ZINC000972676190 737349653 /nfs/dbraw/zinc/34/96/53/737349653.db2.gz FCFUADIEHHBGDV-KRWDZBQOSA-N 1 2 346.387 0.248 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC(=O)N(C)C3)C2)C1 ZINC000972687728 737377688 /nfs/dbraw/zinc/37/76/88/737377688.db2.gz IIZJPPBZHWDRGL-YJBOKZPZSA-N 1 2 333.432 0.181 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC(=O)N(C)C3)C2)C1 ZINC000972687728 737377690 /nfs/dbraw/zinc/37/76/90/737377690.db2.gz IIZJPPBZHWDRGL-YJBOKZPZSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CCN1CCO[C@@]2(CCN(C(=O)[C@@H](c3cccnc3)[NH+](C)C)C2)C1 ZINC000972695931 737407915 /nfs/dbraw/zinc/40/79/15/737407915.db2.gz VOZWPAYTPFAQJA-MJGOQNOKSA-N 1 2 342.443 0.621 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@@H](C[NH2+]Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001023896260 737466193 /nfs/dbraw/zinc/46/61/93/737466193.db2.gz YQKPJTIRBZEWJI-OLZOCXBDSA-N 1 2 342.403 0.510 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccc3c[nH]nc32)[C@@H](n2ccnn2)C1 ZINC001069995050 790290890 /nfs/dbraw/zinc/29/08/90/790290890.db2.gz DXTTYYGZGOTTFG-CVEARBPZSA-N 1 2 349.398 0.833 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cccc3c[nH]nc32)[C@@H](n2ccnn2)C1 ZINC001069995050 790290894 /nfs/dbraw/zinc/29/08/94/790290894.db2.gz DXTTYYGZGOTTFG-CVEARBPZSA-N 1 2 349.398 0.833 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(CC)CCC2)C[C@H]1O ZINC001024358524 737920850 /nfs/dbraw/zinc/92/08/50/737920850.db2.gz NDARRBCMVQLMGD-OWCLPIDISA-N 1 2 347.459 0.352 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(CC)CCC2)C[C@H]1O ZINC001024358524 737920851 /nfs/dbraw/zinc/92/08/51/737920851.db2.gz NDARRBCMVQLMGD-OWCLPIDISA-N 1 2 347.459 0.352 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cnnn1C ZINC001024661859 738206381 /nfs/dbraw/zinc/20/63/81/738206381.db2.gz PUZSRDGNFVKIBK-IMJJTQAJSA-N 1 2 333.436 0.877 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cnnn1C ZINC001024661859 738206384 /nfs/dbraw/zinc/20/63/84/738206384.db2.gz PUZSRDGNFVKIBK-IMJJTQAJSA-N 1 2 333.436 0.877 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(c3)OCCO4)[C@H]2C1 ZINC001083271866 738278828 /nfs/dbraw/zinc/27/88/28/738278828.db2.gz IHKUCGSDDOPLCL-WMLDXEAASA-N 1 2 328.368 0.616 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(c3)OCCO4)[C@H]2C1 ZINC001083271866 738278831 /nfs/dbraw/zinc/27/88/31/738278831.db2.gz IHKUCGSDDOPLCL-WMLDXEAASA-N 1 2 328.368 0.616 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1COCCN1C(C)=O ZINC001024806169 738311438 /nfs/dbraw/zinc/31/14/38/738311438.db2.gz GSWKMLSASJQRLQ-CABCVRRESA-N 1 2 343.855 0.957 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1COCCN1C(C)=O ZINC001024806169 738311446 /nfs/dbraw/zinc/31/14/46/738311446.db2.gz GSWKMLSASJQRLQ-CABCVRRESA-N 1 2 343.855 0.957 20 30 ECEDLO N#Cc1cnc(N2CCC3(C[C@@H]3NC(=O)Cn3cc[nH+]c3)CC2)cn1 ZINC001058638526 739639523 /nfs/dbraw/zinc/63/95/23/739639523.db2.gz XJWCNQUIZKLIEQ-AWEZNQCLSA-N 1 2 337.387 0.720 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](CNc1ccnc(C#N)n1)CC(C)C ZINC001104960635 741049638 /nfs/dbraw/zinc/04/96/38/741049638.db2.gz KSZIYXXZUITGIR-ZDUSSCGKSA-N 1 2 341.419 0.987 20 30 ECEDLO C#CCNC(=O)CC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)[C@H](C)C1 ZINC001105039575 741222627 /nfs/dbraw/zinc/22/26/27/741222627.db2.gz DFRZRSOIQLFHIG-OCCSQVGLSA-N 1 2 329.404 0.573 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)CC3CC3)C2)nn1 ZINC001105130980 741400952 /nfs/dbraw/zinc/40/09/52/741400952.db2.gz XUZDAPPBWTXFMN-GFCCVEGCSA-N 1 2 346.435 0.242 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccco3)C2)nn1 ZINC001105136726 741408397 /nfs/dbraw/zinc/40/83/97/741408397.db2.gz CGVQTJWJFQVQDH-UHFFFAOYSA-N 1 2 329.360 0.308 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(F)cn3)C2)nn1 ZINC001105218139 741483083 /nfs/dbraw/zinc/48/30/83/741483083.db2.gz ZVBSRPMEEIAFGW-UHFFFAOYSA-N 1 2 328.351 0.622 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C)sn3)C2)nn1 ZINC001105223952 741501516 /nfs/dbraw/zinc/50/15/16/741501516.db2.gz PVGZQFCHDLJYNO-UHFFFAOYSA-N 1 2 330.417 0.853 20 30 ECEDLO CC[C@@H](C)CC(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105227482 741509011 /nfs/dbraw/zinc/50/90/11/741509011.db2.gz MCKWCSYMSHQYAA-CQSZACIVSA-N 1 2 333.436 0.837 20 30 ECEDLO O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@H]1CCCNC1=O ZINC001038372317 741551453 /nfs/dbraw/zinc/55/14/53/741551453.db2.gz QZGWGRHXLILESC-SJORKVTESA-N 1 2 325.412 0.755 20 30 ECEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@H]1CCCNC1=O ZINC001038372317 741551454 /nfs/dbraw/zinc/55/14/54/741551454.db2.gz QZGWGRHXLILESC-SJORKVTESA-N 1 2 325.412 0.755 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(C(C)(C)C)nn3)C2)nn1 ZINC001105254118 741565656 /nfs/dbraw/zinc/56/56/56/741565656.db2.gz OZLGBMNDDKDCBH-UHFFFAOYSA-N 1 2 342.407 0.045 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cc(C)on3)C2)C1=O ZINC001006671674 751649583 /nfs/dbraw/zinc/64/95/83/751649583.db2.gz NPDIRVGZTXZZKD-DZGCQCFKSA-N 1 2 332.404 0.964 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cc(C)on3)C2)C1=O ZINC001006671674 751649589 /nfs/dbraw/zinc/64/95/89/751649589.db2.gz NPDIRVGZTXZZKD-DZGCQCFKSA-N 1 2 332.404 0.964 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C)cn4ccnc34)C2)nn1 ZINC001105289621 741650052 /nfs/dbraw/zinc/65/00/52/741650052.db2.gz GSMSDQJTRKWTQP-UHFFFAOYSA-N 1 2 349.398 0.654 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@]3(C)CCO[C@@H]3C)C2)nn1 ZINC001105289422 741653106 /nfs/dbraw/zinc/65/31/06/741653106.db2.gz COIPLGAQRDVQOO-DYVFJYSZSA-N 1 2 331.420 0.589 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3C)C2)nn1 ZINC001105299392 741682043 /nfs/dbraw/zinc/68/20/43/741682043.db2.gz VFVZOWSMANSCPI-TYNCELHUSA-N 1 2 346.435 0.098 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](F)C(C)C)C2)nn1 ZINC001105308796 741710910 /nfs/dbraw/zinc/71/09/10/741710910.db2.gz YLDMOCBPHIZKNY-HNNXBMFYSA-N 1 2 337.399 0.395 20 30 ECEDLO C=CCCC1(C(=O)N(CCO)CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001058729192 741721855 /nfs/dbraw/zinc/72/18/55/741721855.db2.gz BUCPNMWSYSDBGN-UHFFFAOYSA-N 1 2 334.420 0.636 20 30 ECEDLO C=CCCCC(=O)N1CC(n2cc(C[NH2+]CC(=O)NC3CC3)nn2)C1 ZINC001105317147 741751966 /nfs/dbraw/zinc/75/19/66/741751966.db2.gz KQVWSQAMFBPQDP-UHFFFAOYSA-N 1 2 346.435 0.386 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C4CC4)n[nH]3)C2)nn1 ZINC001105333546 741985399 /nfs/dbraw/zinc/98/53/99/741985399.db2.gz LYNOFRBGORCQOI-UHFFFAOYSA-N 1 2 325.376 0.299 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ncnn2C)CC1(C)C ZINC000974688476 742008051 /nfs/dbraw/zinc/00/80/51/742008051.db2.gz ZJTWOVNBGFYWCO-LSDHHAIUSA-N 1 2 344.463 0.239 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ncnn2C)CC1(C)C ZINC000974688476 742008053 /nfs/dbraw/zinc/00/80/53/742008053.db2.gz ZJTWOVNBGFYWCO-LSDHHAIUSA-N 1 2 344.463 0.239 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CO[C@@H]3CCC[C@@H](C)C3)C2)nn1 ZINC001105337200 742441012 /nfs/dbraw/zinc/44/10/12/742441012.db2.gz VSNHAEGUNBFSJD-RHSMWYFYSA-N 1 2 345.447 0.980 20 30 ECEDLO CN(C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(=O)c1ccc(C#N)[nH]1 ZINC000988266734 751763780 /nfs/dbraw/zinc/76/37/80/751763780.db2.gz HNLAOOCSJICACH-LBPRGKRZSA-N 1 2 340.387 0.773 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NCC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)c1 ZINC001059865516 751774269 /nfs/dbraw/zinc/77/42/69/751774269.db2.gz QWYAESKQUDYBRC-CYBMUJFWSA-N 1 2 340.387 0.751 20 30 ECEDLO CCOCCC(=O)N1CC[C@@H](n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001098641491 751797640 /nfs/dbraw/zinc/79/76/40/751797640.db2.gz UMDSTCPMCPZDJZ-MRXNPFEDSA-N 1 2 349.435 0.218 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)nc1 ZINC000997091538 743222318 /nfs/dbraw/zinc/22/23/18/743222318.db2.gz AYQCSHIWKPZZSB-AWEZNQCLSA-N 1 2 349.394 0.463 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)nc1 ZINC000997094255 743227484 /nfs/dbraw/zinc/22/74/84/743227484.db2.gz XKKAQGCMQOTZJI-AWEZNQCLSA-N 1 2 349.394 0.463 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)cn1 ZINC000997101241 743235461 /nfs/dbraw/zinc/23/54/61/743235461.db2.gz DRVNCJJPCWIQRM-ZDUSSCGKSA-N 1 2 349.394 0.463 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)no1 ZINC001083323314 751814388 /nfs/dbraw/zinc/81/43/88/751814388.db2.gz XWXWKJVODSDPKX-CVEARBPZSA-N 1 2 326.356 0.830 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)no1 ZINC001083323314 751814394 /nfs/dbraw/zinc/81/43/94/751814394.db2.gz XWXWKJVODSDPKX-CVEARBPZSA-N 1 2 326.356 0.830 20 30 ECEDLO Cc1cc(CC(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)[nH]n1 ZINC001083402276 743395515 /nfs/dbraw/zinc/39/55/15/743395515.db2.gz YHQYLINAJYBQQR-MSOLQXFVSA-N 1 2 338.411 0.474 20 30 ECEDLO Cc1cc(CC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)[nH]n1 ZINC001083402276 743395526 /nfs/dbraw/zinc/39/55/26/743395526.db2.gz YHQYLINAJYBQQR-MSOLQXFVSA-N 1 2 338.411 0.474 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(C#N)c1 ZINC000976409282 743919490 /nfs/dbraw/zinc/91/94/90/743919490.db2.gz PXTFJUVFDBCHFU-VIKVFOODSA-N 1 2 338.371 0.347 20 30 ECEDLO O=C(C#CC1CC1)N1CC(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000998095423 743975997 /nfs/dbraw/zinc/97/59/97/743975997.db2.gz FFCABZPSHRHVKK-QGZVFWFLSA-N 1 2 345.443 0.370 20 30 ECEDLO O=C(C#CC1CC1)N1CC(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000998095423 743976000 /nfs/dbraw/zinc/97/60/00/743976000.db2.gz FFCABZPSHRHVKK-QGZVFWFLSA-N 1 2 345.443 0.370 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000976728515 744251684 /nfs/dbraw/zinc/25/16/84/744251684.db2.gz OMEABEDNGFMJFJ-NTASLKFISA-N 1 2 327.388 0.178 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(C)[nH]n3)C[C@H]21 ZINC000976738485 744264609 /nfs/dbraw/zinc/26/46/09/744264609.db2.gz DTPPZZMCUYFGCV-LQKXBSAESA-N 1 2 341.415 0.002 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(C)[nH]n3)C[C@H]21 ZINC000976738485 744264612 /nfs/dbraw/zinc/26/46/12/744264612.db2.gz DTPPZZMCUYFGCV-LQKXBSAESA-N 1 2 341.415 0.002 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2[nH]cc[nH+]2)cn1 ZINC000998956870 744428443 /nfs/dbraw/zinc/42/84/43/744428443.db2.gz LVEFLHSKSQKTNW-PMPSAXMXSA-N 1 2 349.394 0.890 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncnn2CC)C1 ZINC000999392103 744672115 /nfs/dbraw/zinc/67/21/15/744672115.db2.gz PRZLWFXZTCOGKZ-HOTGVXAUSA-N 1 2 344.463 0.476 20 30 ECEDLO C=CCn1cc(C(=O)N(C)C2CC([NH2+]Cc3noc(CC)n3)C2)nn1 ZINC000999523029 744737443 /nfs/dbraw/zinc/73/74/43/744737443.db2.gz NBPNEYHUVNRTMW-UHFFFAOYSA-N 1 2 345.407 0.802 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001006896862 751954624 /nfs/dbraw/zinc/95/46/24/751954624.db2.gz LREHPDLOSCQTHP-XFJVYGCCSA-N 1 2 346.431 0.815 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001006897843 751955424 /nfs/dbraw/zinc/95/54/24/751955424.db2.gz PZJRMPKOMNOOAZ-WQVCFCJDSA-N 1 2 346.431 0.517 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NCC[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001059198235 745116009 /nfs/dbraw/zinc/11/60/09/745116009.db2.gz OJICDVIIIZTIFV-CYBMUJFWSA-N 1 2 349.460 0.574 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3conc3COC)C2)nn1 ZINC001105360600 751975472 /nfs/dbraw/zinc/97/54/72/751975472.db2.gz BYRCLJDSDOWAAT-UHFFFAOYSA-N 1 2 344.375 0.223 20 30 ECEDLO C#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3n[nH]c4ccccc43)nn2)C1 ZINC001000043189 745223638 /nfs/dbraw/zinc/22/36/38/745223638.db2.gz IOJVNCRDVZGAGU-AWEZNQCLSA-N 1 2 349.398 0.964 20 30 ECEDLO C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3n[nH]c4ccccc43)nn2)C1 ZINC001000043189 745223642 /nfs/dbraw/zinc/22/36/42/745223642.db2.gz IOJVNCRDVZGAGU-AWEZNQCLSA-N 1 2 349.398 0.964 20 30 ECEDLO C#CCNCc1cn([C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)nn1 ZINC001098698465 745313588 /nfs/dbraw/zinc/31/35/88/745313588.db2.gz UQBQPATZHLKXLO-OAHLLOKOSA-N 1 2 327.392 0.061 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3nccnc3N)C2)C1=O ZINC001006944338 751993956 /nfs/dbraw/zinc/99/39/56/751993956.db2.gz HFWSPTMFVYRACM-STQMWFEESA-N 1 2 344.419 0.040 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3nccnc3N)C2)C1=O ZINC001006944338 751993960 /nfs/dbraw/zinc/99/39/60/751993960.db2.gz HFWSPTMFVYRACM-STQMWFEESA-N 1 2 344.419 0.040 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3nnc(C)o3)C2)nn1 ZINC001000427437 745491557 /nfs/dbraw/zinc/49/15/57/745491557.db2.gz MENQJRUMQCRNOM-CYBMUJFWSA-N 1 2 345.407 0.940 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000977796345 745517275 /nfs/dbraw/zinc/51/72/75/745517275.db2.gz QGYDFNDHLCZFAZ-ZNMIVQPWSA-N 1 2 346.431 0.993 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3c(C)cnn3C)C2)nn1 ZINC001098701081 745705779 /nfs/dbraw/zinc/70/57/79/745705779.db2.gz VPIFIDHMSCXCLX-OAHLLOKOSA-N 1 2 341.419 0.520 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](CCC)OCC)C2)nn1 ZINC001098703223 745959476 /nfs/dbraw/zinc/95/94/76/745959476.db2.gz LVYRIKIRQAGUKK-HZPDHXFCSA-N 1 2 333.436 0.980 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001059334387 745985246 /nfs/dbraw/zinc/98/52/46/745985246.db2.gz DTRIOCBDCIYMOD-CQSZACIVSA-N 1 2 334.420 0.900 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@H](Nc2ccc(C#N)nn2)C1 ZINC001058941971 752080716 /nfs/dbraw/zinc/08/07/16/752080716.db2.gz VLMZAQMQGYRPGE-ZDUSSCGKSA-N 1 2 325.376 0.727 20 30 ECEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2nccnc2C(N)=O)CC1 ZINC001001433406 746371391 /nfs/dbraw/zinc/37/13/91/746371391.db2.gz LSSCIINVBTTXDQ-UHFFFAOYSA-N 1 2 335.795 0.690 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2nccnc2C(N)=O)CC1 ZINC001001433406 746371395 /nfs/dbraw/zinc/37/13/95/746371395.db2.gz LSSCIINVBTTXDQ-UHFFFAOYSA-N 1 2 335.795 0.690 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnc(C)n3C)C2)nn1 ZINC001098705964 746372357 /nfs/dbraw/zinc/37/23/57/746372357.db2.gz NZGIUSUSERCQIM-HNNXBMFYSA-N 1 2 341.419 0.520 20 30 ECEDLO NC(=O)C1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#Cc2ccccc2)CC1 ZINC001029451871 746557217 /nfs/dbraw/zinc/55/72/17/746557217.db2.gz PQEHNEOWXOMYMP-CALCHBBNSA-N 1 2 337.423 0.979 20 30 ECEDLO NC(=O)C1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#Cc2ccccc2)CC1 ZINC001029451871 746557221 /nfs/dbraw/zinc/55/72/21/746557221.db2.gz PQEHNEOWXOMYMP-CALCHBBNSA-N 1 2 337.423 0.979 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)OC)[C@H](OC)C1 ZINC001211957564 752112136 /nfs/dbraw/zinc/11/21/36/752112136.db2.gz WJJUDGZMWGZISR-RRFJBIMHSA-N 1 2 341.452 0.261 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](C)OC)[C@H](OC)C1 ZINC001211957564 752112139 /nfs/dbraw/zinc/11/21/39/752112139.db2.gz WJJUDGZMWGZISR-RRFJBIMHSA-N 1 2 341.452 0.261 20 30 ECEDLO C=CCCCC(=O)N1CC[C@H](n2cc(C[NH2+][C@H]3CCNC3=O)nn2)C1 ZINC001098710598 746705737 /nfs/dbraw/zinc/70/57/37/746705737.db2.gz HKKXBEMGMCCYRB-GJZGRUSLSA-N 1 2 346.435 0.386 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](Nc2cncc(C#N)n2)C1 ZINC001059414828 746765530 /nfs/dbraw/zinc/76/55/30/746765530.db2.gz QCDQUUJTGJTEPQ-HBJVGIJOSA-N 1 2 337.387 0.945 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+]([C@@H](C)c2nnnn2C)CC1 ZINC001001851372 746767940 /nfs/dbraw/zinc/76/79/40/746767940.db2.gz KPWSNXNDUIGOAZ-CFVMTHIKSA-N 1 2 348.451 0.690 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3nnc[nH]3)[C@@H]2C1 ZINC000978880142 746847505 /nfs/dbraw/zinc/84/75/05/746847505.db2.gz QZEVKWIGBFDNST-QKDCVEJESA-N 1 2 340.362 0.923 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3nnc[nH]3)[C@@H]2C1 ZINC000978880142 746847511 /nfs/dbraw/zinc/84/75/11/746847511.db2.gz QZEVKWIGBFDNST-QKDCVEJESA-N 1 2 340.362 0.923 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000984742819 746896933 /nfs/dbraw/zinc/89/69/33/746896933.db2.gz MMOJZOPHAHMRFI-GXTWGEPZSA-N 1 2 340.387 0.961 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2CC[NH+](Cc3nncn3C)CC2)nc1 ZINC001002058737 746936230 /nfs/dbraw/zinc/93/62/30/746936230.db2.gz ZLHPJUMANBIGGG-UHFFFAOYSA-N 1 2 338.415 0.833 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nc(C)no4)C[C@H]32)nc1 ZINC000978994840 747009407 /nfs/dbraw/zinc/00/94/07/747009407.db2.gz TWBPOVZIIQWZFJ-QKDCVEJESA-N 1 2 337.383 0.862 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nc(C)no4)C[C@H]32)nc1 ZINC000978994840 747009413 /nfs/dbraw/zinc/00/94/13/747009413.db2.gz TWBPOVZIIQWZFJ-QKDCVEJESA-N 1 2 337.383 0.862 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H](C)C(=O)N(C)C)nn1 ZINC001029507271 747198039 /nfs/dbraw/zinc/19/80/39/747198039.db2.gz CDOZBIJPFHLILF-MCIONIFRSA-N 1 2 346.435 0.230 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)C(=O)N(C)C)nn1 ZINC001029507271 747198040 /nfs/dbraw/zinc/19/80/40/747198040.db2.gz CDOZBIJPFHLILF-MCIONIFRSA-N 1 2 346.435 0.230 20 30 ECEDLO C=CCCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H](CC)C(N)=O)nn1 ZINC001029508835 747202484 /nfs/dbraw/zinc/20/24/84/747202484.db2.gz QYKHXHKGCLOFFZ-VNHYZAJKSA-N 1 2 346.435 0.407 20 30 ECEDLO C=CCCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](CC)C(N)=O)nn1 ZINC001029508835 747202488 /nfs/dbraw/zinc/20/24/88/747202488.db2.gz QYKHXHKGCLOFFZ-VNHYZAJKSA-N 1 2 346.435 0.407 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)c2ccn[nH]2)[C@H](OC)C1 ZINC001211891350 747355851 /nfs/dbraw/zinc/35/58/51/747355851.db2.gz KDFBCBYTZIRDIW-HUUCEWRRSA-N 1 2 349.435 0.263 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)c2ccn[nH]2)[C@H](OC)C1 ZINC001211891350 747355857 /nfs/dbraw/zinc/35/58/57/747355857.db2.gz KDFBCBYTZIRDIW-HUUCEWRRSA-N 1 2 349.435 0.263 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C3(CF)CC3)C2)nn1 ZINC001098721245 747597840 /nfs/dbraw/zinc/59/78/40/747597840.db2.gz FGVKAKLIPPFCTG-HNNXBMFYSA-N 1 2 349.410 0.541 20 30 ECEDLO O=C(C#CC1CC1)N1CC(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001002779646 747773268 /nfs/dbraw/zinc/77/32/68/747773268.db2.gz WTMVOKNIASTLSM-HNNXBMFYSA-N 1 2 326.400 0.434 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1CN(C(=O)C#CC3CC3)C1)C2 ZINC001002781660 747776518 /nfs/dbraw/zinc/77/65/18/747776518.db2.gz MAESJISDEHKCDW-OAHLLOKOSA-N 1 2 340.427 0.811 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1CN(C(=O)C#CC3CC3)C1)CC2 ZINC001002781660 747776519 /nfs/dbraw/zinc/77/65/19/747776519.db2.gz MAESJISDEHKCDW-OAHLLOKOSA-N 1 2 340.427 0.811 20 30 ECEDLO CC#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001088239921 747934549 /nfs/dbraw/zinc/93/45/49/747934549.db2.gz KVXULJYOUOWRHX-INIZCTEOSA-N 1 2 345.447 0.700 20 30 ECEDLO CC#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001088239921 747934553 /nfs/dbraw/zinc/93/45/53/747934553.db2.gz KVXULJYOUOWRHX-INIZCTEOSA-N 1 2 345.447 0.700 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)c2cnn(C)c2CC)C1=O ZINC001038461261 747955183 /nfs/dbraw/zinc/95/51/83/747955183.db2.gz YMYWEEURGOEZBF-XJKSGUPXSA-N 1 2 345.447 0.574 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)c2cnn(C)c2CC)C1=O ZINC001038461261 747955190 /nfs/dbraw/zinc/95/51/90/747955190.db2.gz YMYWEEURGOEZBF-XJKSGUPXSA-N 1 2 345.447 0.574 20 30 ECEDLO C[N@H+](Cc1nnnn1C1CC1)C1CCN(C(=O)C#CC2CC2)CC1 ZINC000985429466 747985670 /nfs/dbraw/zinc/98/56/70/747985670.db2.gz PEYNVRHGNBUGNP-UHFFFAOYSA-N 1 2 328.420 0.844 20 30 ECEDLO C[N@@H+](Cc1nnnn1C1CC1)C1CCN(C(=O)C#CC2CC2)CC1 ZINC000985429466 747985673 /nfs/dbraw/zinc/98/56/73/747985673.db2.gz PEYNVRHGNBUGNP-UHFFFAOYSA-N 1 2 328.420 0.844 20 30 ECEDLO Cc1nnc(C[N@H+](C)C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)[nH]1 ZINC001029691000 748071600 /nfs/dbraw/zinc/07/16/00/748071600.db2.gz LPNGXNSEQDLKJA-LBPRGKRZSA-N 1 2 327.392 0.907 20 30 ECEDLO Cc1nnc(C[N@@H+](C)C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)[nH]1 ZINC001029691000 748071608 /nfs/dbraw/zinc/07/16/08/748071608.db2.gz LPNGXNSEQDLKJA-LBPRGKRZSA-N 1 2 327.392 0.907 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)Cc3ccco3)C2)nn1 ZINC001105343997 748264878 /nfs/dbraw/zinc/26/48/78/748264878.db2.gz HEGQPLIYKYCAFB-CYBMUJFWSA-N 1 2 327.388 0.856 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC000979782378 748384381 /nfs/dbraw/zinc/38/43/81/748384381.db2.gz JPBYRIOGEUCLCB-HAQNSBGRSA-N 1 2 343.391 0.055 20 30 ECEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2CCN(C)C2=O)CC1 ZINC001003465988 748582243 /nfs/dbraw/zinc/58/22/43/748582243.db2.gz SIFSLIPMMYLGDB-LBPRGKRZSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)[C@H]1C ZINC001088602061 752289989 /nfs/dbraw/zinc/28/99/89/752289989.db2.gz VJGFJFCSMMXGHM-MCIONIFRSA-N 1 2 343.855 0.813 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)[C@H]1C ZINC001088602061 752289994 /nfs/dbraw/zinc/28/99/94/752289994.db2.gz VJGFJFCSMMXGHM-MCIONIFRSA-N 1 2 343.855 0.813 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](n2cc(C[NH2+]CC#CC)nn2)C1 ZINC001098728985 748744511 /nfs/dbraw/zinc/74/45/11/748744511.db2.gz XWTRUUOGNBSVHL-BBWFWOEESA-N 1 2 343.431 0.756 20 30 ECEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001003641017 748753144 /nfs/dbraw/zinc/75/31/44/748753144.db2.gz VAGCGLXSWWPLNM-MNOVXSKESA-N 1 2 330.226 0.597 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3nnc(C)[nH]3)C2)nn1 ZINC001029859992 748959155 /nfs/dbraw/zinc/95/91/55/748959155.db2.gz KOLGQTQBJHGECV-ZDUSSCGKSA-N 1 2 344.423 0.485 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3nnc(C)[nH]3)C2)nn1 ZINC001029859992 748959161 /nfs/dbraw/zinc/95/91/61/748959161.db2.gz KOLGQTQBJHGECV-ZDUSSCGKSA-N 1 2 344.423 0.485 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC2CCC(NC(=O)Cn3cc[nH+]c3)CC2)c1 ZINC000980113754 748997594 /nfs/dbraw/zinc/99/75/94/748997594.db2.gz PILHDKMEWSKTMN-UHFFFAOYSA-N 1 2 340.387 0.940 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001059646869 749098495 /nfs/dbraw/zinc/09/84/95/749098495.db2.gz YVYBAKSCPOVMHQ-CQSZACIVSA-N 1 2 332.404 0.347 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)C(C)(C)F)CC2)CC1 ZINC000985824510 749177054 /nfs/dbraw/zinc/17/70/54/749177054.db2.gz GQEOLCFPLVHWTR-UHFFFAOYSA-N 1 2 326.416 0.802 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)CC(C)(C)O)CC2)CC1 ZINC000985825458 749182743 /nfs/dbraw/zinc/18/27/43/749182743.db2.gz OSYFBJBUBYBWHW-UHFFFAOYSA-N 1 2 338.452 0.215 20 30 ECEDLO O=C(C#CC1CC1)N1CC(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001004218911 749331013 /nfs/dbraw/zinc/33/10/13/749331013.db2.gz ACNRZTCGEMWWJN-AWEZNQCLSA-N 1 2 326.400 0.818 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2cncn2)C1 ZINC000980331309 749365570 /nfs/dbraw/zinc/36/55/70/749365570.db2.gz VSSWIAHWROLVBR-NSHDSACASA-N 1 2 328.214 0.719 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)Cn2cncn2)C1 ZINC000980331309 749365574 /nfs/dbraw/zinc/36/55/74/749365574.db2.gz VSSWIAHWROLVBR-NSHDSACASA-N 1 2 328.214 0.719 20 30 ECEDLO C[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1)N1C(=O)CCC1=O ZINC001004444965 749506802 /nfs/dbraw/zinc/50/68/02/749506802.db2.gz CODSTRULPNFTSN-UKRRQHHQSA-N 1 2 346.431 0.750 20 30 ECEDLO C[C@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1)N1C(=O)CCC1=O ZINC001004444965 749506805 /nfs/dbraw/zinc/50/68/05/749506805.db2.gz CODSTRULPNFTSN-UKRRQHHQSA-N 1 2 346.431 0.750 20 30 ECEDLO CC(=O)N1CCOC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004622621 749700137 /nfs/dbraw/zinc/70/01/37/749700137.db2.gz XPLVFXFXOMBUDB-SJORKVTESA-N 1 2 348.447 0.460 20 30 ECEDLO CC(=O)N1CCOC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004622621 749700143 /nfs/dbraw/zinc/70/01/43/749700143.db2.gz XPLVFXFXOMBUDB-SJORKVTESA-N 1 2 348.447 0.460 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3cc(C)no3)CC2)C1=O ZINC000980698766 749981050 /nfs/dbraw/zinc/98/10/50/749981050.db2.gz GQKANFNIFPZKFL-CQSZACIVSA-N 1 2 332.404 0.918 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3cc(C)no3)CC2)C1=O ZINC000980698766 749981053 /nfs/dbraw/zinc/98/10/53/749981053.db2.gz GQKANFNIFPZKFL-CQSZACIVSA-N 1 2 332.404 0.918 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3cc(C)n[nH]3)CC2)C1=O ZINC000980772515 750132225 /nfs/dbraw/zinc/13/22/25/750132225.db2.gz NESUPBZEVXFTKL-HNNXBMFYSA-N 1 2 331.420 0.653 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3cc(C)n[nH]3)CC2)C1=O ZINC000980772515 750132229 /nfs/dbraw/zinc/13/22/29/750132229.db2.gz NESUPBZEVXFTKL-HNNXBMFYSA-N 1 2 331.420 0.653 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3cc(C)[nH]n3)CC2)C1=O ZINC000980772515 750132235 /nfs/dbraw/zinc/13/22/35/750132235.db2.gz NESUPBZEVXFTKL-HNNXBMFYSA-N 1 2 331.420 0.653 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3cc(C)[nH]n3)CC2)C1=O ZINC000980772515 750132240 /nfs/dbraw/zinc/13/22/40/750132240.db2.gz NESUPBZEVXFTKL-HNNXBMFYSA-N 1 2 331.420 0.653 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3cnsn3)[C@H]2C)nn1 ZINC000987137816 750534054 /nfs/dbraw/zinc/53/40/54/750534054.db2.gz ZPTDUOFVOQENSK-PWSUYJOCSA-N 1 2 333.421 0.708 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nc(C)no3)[C@@H]2C)nn1 ZINC000987168074 750561837 /nfs/dbraw/zinc/56/18/37/750561837.db2.gz LHRPYSTZGVGIKV-WCQYABFASA-N 1 2 345.407 0.938 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001088550395 750634860 /nfs/dbraw/zinc/63/48/60/750634860.db2.gz YXLGXFCTTQOEOI-ONERCXAPSA-N 1 2 346.362 0.885 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001088550395 750634864 /nfs/dbraw/zinc/63/48/64/750634864.db2.gz YXLGXFCTTQOEOI-ONERCXAPSA-N 1 2 346.362 0.885 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H]([NH2+]Cc2nnn(C)n2)[C@@H]1C ZINC000987417557 750795421 /nfs/dbraw/zinc/79/54/21/750795421.db2.gz UCLYJKXYAIMDHF-XJKSGUPXSA-N 1 2 338.415 0.513 20 30 ECEDLO Cn1cc(C[N@@H+]2CCCC3(CN(C(=O)c4c[nH]c(C#N)c4)C3)C2)nn1 ZINC000981722495 751003473 /nfs/dbraw/zinc/00/34/73/751003473.db2.gz WFXVRMXRXHDCBJ-UHFFFAOYSA-N 1 2 339.403 0.753 20 30 ECEDLO Cn1cc(C[N@H+]2CCCC3(CN(C(=O)c4c[nH]c(C#N)c4)C3)C2)nn1 ZINC000981722495 751003481 /nfs/dbraw/zinc/00/34/81/751003481.db2.gz WFXVRMXRXHDCBJ-UHFFFAOYSA-N 1 2 339.403 0.753 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@]3(F)CCOC3)CC2)C1=O ZINC000981821562 751139053 /nfs/dbraw/zinc/13/90/53/751139053.db2.gz NQMARXUVFMXANV-PBHICJAKSA-N 1 2 339.411 0.436 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@]3(F)CCOC3)CC2)C1=O ZINC000981821562 751139054 /nfs/dbraw/zinc/13/90/54/751139054.db2.gz NQMARXUVFMXANV-PBHICJAKSA-N 1 2 339.411 0.436 20 30 ECEDLO C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CN(C(=O)C#CC2CC2)C1 ZINC001006315007 751234754 /nfs/dbraw/zinc/23/47/54/751234754.db2.gz IFAGUZGZPQCWCY-UKRRQHHQSA-N 1 2 340.427 0.822 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(n3cc(C[NH2+]CC#CC)nn3)C2)nc1 ZINC001105362522 752309814 /nfs/dbraw/zinc/30/98/14/752309814.db2.gz CMOSWSRALLPEFH-UHFFFAOYSA-N 1 2 334.383 0.464 20 30 ECEDLO C[C@H]1C[C@@H]([NH2+]Cc2nc(N(C)C)no2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC000988612809 752378148 /nfs/dbraw/zinc/37/81/48/752378148.db2.gz NARLTVSJRCHHJF-GXFFZTMASA-N 1 2 343.391 0.728 20 30 ECEDLO C=C(Cl)CNCc1cn(C2CN(C(=O)Cc3[nH]c[nH+]c3C)C2)nn1 ZINC001105366245 752461896 /nfs/dbraw/zinc/46/18/96/752461896.db2.gz DNNWVLGBAUOALO-UHFFFAOYSA-N 1 2 349.826 0.778 20 30 ECEDLO CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](OC)C1 ZINC001212081705 752715251 /nfs/dbraw/zinc/71/52/51/752715251.db2.gz SNTOUMKMEDXKAV-NILFDRSVSA-N 1 2 347.419 0.230 20 30 ECEDLO CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](OC)C1 ZINC001212081705 752715254 /nfs/dbraw/zinc/71/52/54/752715254.db2.gz SNTOUMKMEDXKAV-NILFDRSVSA-N 1 2 347.419 0.230 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ccn(C(F)F)n3)C2)nn1 ZINC001098678950 752771297 /nfs/dbraw/zinc/77/12/97/752771297.db2.gz PWMYTNWTYHDMIP-LBPRGKRZSA-N 1 2 349.345 0.680 20 30 ECEDLO N#Cc1ccc(N[C@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)nn1 ZINC001058993952 752781748 /nfs/dbraw/zinc/78/17/48/752781748.db2.gz TZEMNDGXSHJASD-OCCSQVGLSA-N 1 2 337.387 0.820 20 30 ECEDLO N#Cc1ccc(N[C@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)nn1 ZINC001058993951 752781896 /nfs/dbraw/zinc/78/18/96/752781896.db2.gz TZEMNDGXSHJASD-JSGCOSHPSA-N 1 2 337.387 0.820 20 30 ECEDLO N#Cc1cnccc1N[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001058995457 752795408 /nfs/dbraw/zinc/79/54/08/752795408.db2.gz GZSKKFBJKZAKLU-ZFWWWQNUSA-N 1 2 336.399 0.847 20 30 ECEDLO N#Cc1ccc(N[C@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)nn1 ZINC001058995371 752805450 /nfs/dbraw/zinc/80/54/50/752805450.db2.gz CMOXJNRIEZFGNU-JSGCOSHPSA-N 1 2 337.387 0.820 20 30 ECEDLO N#Cc1ccc(N[C@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)nn1 ZINC001058995758 752811754 /nfs/dbraw/zinc/81/17/54/752811754.db2.gz WNXUDJOCTPTGLY-OCCSQVGLSA-N 1 2 337.387 0.820 20 30 ECEDLO CC(C)n1nnnc1C[N@@H+]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001028488880 752824443 /nfs/dbraw/zinc/82/44/43/752824443.db2.gz JHWRENSIDLQWQV-GFCCVEGCSA-N 1 2 342.407 0.706 20 30 ECEDLO CC(C)n1nnnc1C[N@H+]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001028488880 752824449 /nfs/dbraw/zinc/82/44/49/752824449.db2.gz JHWRENSIDLQWQV-GFCCVEGCSA-N 1 2 342.407 0.706 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001028490284 752830769 /nfs/dbraw/zinc/83/07/69/752830769.db2.gz IEGCZZIUOMWJST-QWRGUYRKSA-N 1 2 328.380 0.223 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@H+]1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001028490284 752830774 /nfs/dbraw/zinc/83/07/74/752830774.db2.gz IEGCZZIUOMWJST-QWRGUYRKSA-N 1 2 328.380 0.223 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ccns3)C2)nn1 ZINC001098679293 752914002 /nfs/dbraw/zinc/91/40/02/752914002.db2.gz XPUKAUAOYUVUDE-ZDUSSCGKSA-N 1 2 330.417 0.935 20 30 ECEDLO CN1C[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)NC1=O ZINC001008189310 753446535 /nfs/dbraw/zinc/44/65/35/753446535.db2.gz NCTPZJMZRKHXJO-HZPDHXFCSA-N 1 2 341.415 0.662 20 30 ECEDLO CN1C[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)NC1=O ZINC001008189310 753446539 /nfs/dbraw/zinc/44/65/39/753446539.db2.gz NCTPZJMZRKHXJO-HZPDHXFCSA-N 1 2 341.415 0.662 20 30 ECEDLO CC1(C)CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001008287046 753550488 /nfs/dbraw/zinc/55/04/88/753550488.db2.gz ABHFBANOGNAWJX-CQSZACIVSA-N 1 2 340.387 0.750 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3c(C)n[nH]c3C)C2)nn1 ZINC001105371662 753569979 /nfs/dbraw/zinc/56/99/79/753569979.db2.gz VCEHOTFSMMYODT-UHFFFAOYSA-N 1 2 341.419 0.357 20 30 ECEDLO O=C(C[C@@H]1CCCO1)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001083351710 753644861 /nfs/dbraw/zinc/64/48/61/753644861.db2.gz LVCAFATYQQMZGJ-KSZLIROESA-N 1 2 346.402 0.908 20 30 ECEDLO O=C(C[C@@H]1CCCO1)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001083351710 753644864 /nfs/dbraw/zinc/64/48/64/753644864.db2.gz LVCAFATYQQMZGJ-KSZLIROESA-N 1 2 346.402 0.908 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)COc3ccccc3F)C2)nn1 ZINC001105372563 753672263 /nfs/dbraw/zinc/67/22/63/753672263.db2.gz NFCHWNOSSGMRNE-UHFFFAOYSA-N 1 2 343.362 0.602 20 30 ECEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CNC(=O)N1 ZINC001008378445 753678718 /nfs/dbraw/zinc/67/87/18/753678718.db2.gz WTGGEOMSOJDRMS-JKSUJKDBSA-N 1 2 344.390 0.439 20 30 ECEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CNC(=O)N1 ZINC001008378445 753678719 /nfs/dbraw/zinc/67/87/19/753678719.db2.gz WTGGEOMSOJDRMS-JKSUJKDBSA-N 1 2 344.390 0.439 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[C@@H]3CCOC3)[C@@H](O)C2)s1 ZINC001083380409 753737881 /nfs/dbraw/zinc/73/78/81/753737881.db2.gz VTYWLXMSZZUJLV-GLQYFDAESA-N 1 2 335.429 0.708 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C[C@@H]3CCOC3)[C@@H](O)C2)s1 ZINC001083380409 753737888 /nfs/dbraw/zinc/73/78/88/753737888.db2.gz VTYWLXMSZZUJLV-GLQYFDAESA-N 1 2 335.429 0.708 20 30 ECEDLO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001083381309 753743841 /nfs/dbraw/zinc/74/38/41/753743841.db2.gz CHZWOWBBULRWFK-SJORKVTESA-N 1 2 342.374 0.304 20 30 ECEDLO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001083381309 753743845 /nfs/dbraw/zinc/74/38/45/753743845.db2.gz CHZWOWBBULRWFK-SJORKVTESA-N 1 2 342.374 0.304 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3n[nH]cc3F)C2)C1=O ZINC001008446247 753751067 /nfs/dbraw/zinc/75/10/67/753751067.db2.gz CJVVYIOXQBKUEL-YPMHNXCESA-N 1 2 335.383 0.530 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3n[nH]cc3F)C2)C1=O ZINC001008446247 753751074 /nfs/dbraw/zinc/75/10/74/753751074.db2.gz CJVVYIOXQBKUEL-YPMHNXCESA-N 1 2 335.383 0.530 20 30 ECEDLO C=C1CCC(C(=O)N2C[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C[C@@H]2C)CC1 ZINC000989408551 753841884 /nfs/dbraw/zinc/84/18/84/753841884.db2.gz VGSSKRDDAGTJRQ-GXTWGEPZSA-N 1 2 333.436 0.934 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001008591866 753933121 /nfs/dbraw/zinc/93/31/21/753933121.db2.gz QUIGSVWFWPYFQS-STQMWFEESA-N 1 2 338.843 0.959 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001008591866 753933124 /nfs/dbraw/zinc/93/31/24/753933124.db2.gz QUIGSVWFWPYFQS-STQMWFEESA-N 1 2 338.843 0.959 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)CCNC(=O)CSCC#N ZINC001075677988 754014828 /nfs/dbraw/zinc/01/48/28/754014828.db2.gz HZYKDDFZVRFDOT-NEPJUHHUSA-N 1 2 337.449 0.856 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)CCNC(=O)CSCC#N ZINC001075677988 754014834 /nfs/dbraw/zinc/01/48/34/754014834.db2.gz HZYKDDFZVRFDOT-NEPJUHHUSA-N 1 2 337.449 0.856 20 30 ECEDLO O=C([C@@H]1CCC(=O)N1)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000989517120 754068740 /nfs/dbraw/zinc/06/87/40/754068740.db2.gz RPVXUCFBEJNEIK-KRWDZBQOSA-N 1 2 343.402 0.990 20 30 ECEDLO O=C([C@@H]1CCC(=O)N1)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000989517120 754068743 /nfs/dbraw/zinc/06/87/43/754068743.db2.gz RPVXUCFBEJNEIK-KRWDZBQOSA-N 1 2 343.402 0.990 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001008838668 754183227 /nfs/dbraw/zinc/18/32/27/754183227.db2.gz LZNOEPVDZJZYDP-FBIMIBRVSA-N 1 2 343.309 0.617 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cnnn2C)C1 ZINC001008841226 754188016 /nfs/dbraw/zinc/18/80/16/754188016.db2.gz QPXRSMJULIYCJX-KBMXLJTQSA-N 1 2 333.436 0.877 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cnnn2C)C1 ZINC001008841226 754188021 /nfs/dbraw/zinc/18/80/21/754188021.db2.gz QPXRSMJULIYCJX-KBMXLJTQSA-N 1 2 333.436 0.877 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)[nH]1 ZINC000982935963 754230040 /nfs/dbraw/zinc/23/00/40/754230040.db2.gz SRNIDBYGHBFDIZ-LBPRGKRZSA-N 1 2 326.360 0.361 20 30 ECEDLO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)o1 ZINC001051555876 762331596 /nfs/dbraw/zinc/33/15/96/762331596.db2.gz PWFKEYGCNZSLAO-GFCCVEGCSA-N 1 2 330.348 0.209 20 30 ECEDLO Cc1noc([C@H](C)[NH2+]C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)n1 ZINC001051562957 762345004 /nfs/dbraw/zinc/34/50/04/762345004.db2.gz MGAKOMBVSVQOAU-HZMBPMFUSA-N 1 2 344.375 0.770 20 30 ECEDLO N#Cc1nccc(N[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)n1 ZINC001059111399 755092963 /nfs/dbraw/zinc/09/29/63/755092963.db2.gz XFBCXTPPSUJOHF-LBPRGKRZSA-N 1 2 333.355 0.973 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cnn(CC)n2)C1 ZINC001028808937 755200202 /nfs/dbraw/zinc/20/02/02/755200202.db2.gz HVAPZFNIKYWONS-IMJJTQAJSA-N 1 2 333.436 0.827 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cnn(CC)n2)C1 ZINC001028808937 755200208 /nfs/dbraw/zinc/20/02/08/755200208.db2.gz HVAPZFNIKYWONS-IMJJTQAJSA-N 1 2 333.436 0.827 20 30 ECEDLO N#Cc1nccc(NC[C@H]2CCC[C@@H]2NC(=O)CCc2[nH]cc[nH+]2)n1 ZINC001105655397 755205179 /nfs/dbraw/zinc/20/51/79/755205179.db2.gz PQRIFYJFHCBXDD-OLZOCXBDSA-N 1 2 339.403 0.823 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3nnc(C)o3)C2)nn1 ZINC001028852513 755310668 /nfs/dbraw/zinc/31/06/68/755310668.db2.gz KENYFHAFNAYCLJ-LBPRGKRZSA-N 1 2 331.380 0.407 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3nnc(C)o3)C2)nn1 ZINC001028852513 755310672 /nfs/dbraw/zinc/31/06/72/755310672.db2.gz KENYFHAFNAYCLJ-LBPRGKRZSA-N 1 2 331.380 0.407 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ncc(C)cn3)C2)nn1 ZINC001028853556 755313602 /nfs/dbraw/zinc/31/36/02/755313602.db2.gz VPZJCKNGQHJNHJ-AWEZNQCLSA-N 1 2 341.419 0.814 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3ncc(C)cn3)C2)nn1 ZINC001028853556 755313606 /nfs/dbraw/zinc/31/36/06/755313606.db2.gz VPZJCKNGQHJNHJ-AWEZNQCLSA-N 1 2 341.419 0.814 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cnn(C)n2)C1 ZINC001028860825 755328581 /nfs/dbraw/zinc/32/85/81/755328581.db2.gz FQJDLFQSPCXOSU-KBMXLJTQSA-N 1 2 333.436 0.734 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cnn(C)n2)C1 ZINC001028860825 755328585 /nfs/dbraw/zinc/32/85/85/755328585.db2.gz FQJDLFQSPCXOSU-KBMXLJTQSA-N 1 2 333.436 0.734 20 30 ECEDLO N#Cc1nccc(NC[C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)n1 ZINC001060066214 755709525 /nfs/dbraw/zinc/70/95/25/755709525.db2.gz XLHKSRMEYOKTLO-CQSZACIVSA-N 1 2 339.403 0.707 20 30 ECEDLO C[C@@H]1C[C@H](CNC(=O)c2ccc(C#N)[nH]2)CN1C(=O)Cn1cc[nH+]c1 ZINC001010198537 755795963 /nfs/dbraw/zinc/79/59/63/755795963.db2.gz BCWBWCOISQBDFM-CHWSQXEVSA-N 1 2 340.387 0.750 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(C)oc2C)C[C@@H]1O ZINC001083535674 755974812 /nfs/dbraw/zinc/97/48/12/755974812.db2.gz FMOLXAPDDCUAOF-IKGGRYGDSA-N 1 2 346.431 0.050 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(C)oc2C)C[C@@H]1O ZINC001083535674 755974815 /nfs/dbraw/zinc/97/48/15/755974815.db2.gz FMOLXAPDDCUAOF-IKGGRYGDSA-N 1 2 346.431 0.050 20 30 ECEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(Cc3cc(C#N)ccc3F)C2)C1 ZINC001010427595 756124227 /nfs/dbraw/zinc/12/42/27/756124227.db2.gz LZUBPGRALBCYKO-WBVHZDCISA-N 1 2 346.406 0.718 20 30 ECEDLO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(Cc3cc(C#N)ccc3F)C2)C1 ZINC001010427595 756124231 /nfs/dbraw/zinc/12/42/31/756124231.db2.gz LZUBPGRALBCYKO-WBVHZDCISA-N 1 2 346.406 0.718 20 30 ECEDLO C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)CCn1cc[nH+]c1 ZINC001076218819 756222115 /nfs/dbraw/zinc/22/21/15/756222115.db2.gz HOOJSRYJKOAPIA-LBPRGKRZSA-N 1 2 328.376 0.798 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001010548261 756228903 /nfs/dbraw/zinc/22/89/03/756228903.db2.gz XIQJSAMRVXUDLB-CJNGLKHVSA-N 1 2 326.400 0.775 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001010548261 756228908 /nfs/dbraw/zinc/22/89/08/756228908.db2.gz XIQJSAMRVXUDLB-CJNGLKHVSA-N 1 2 326.400 0.775 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001076302177 756333240 /nfs/dbraw/zinc/33/32/40/756333240.db2.gz YHLKNRVCVSBUNH-SUMWQHHRSA-N 1 2 336.436 0.691 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001010750728 756479189 /nfs/dbraw/zinc/47/91/89/756479189.db2.gz OPWGSHCODGFIHS-AWEZNQCLSA-N 1 2 329.404 0.884 20 30 ECEDLO C#CCOCCC(=O)NCC[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001076507325 756577824 /nfs/dbraw/zinc/57/78/24/756577824.db2.gz CQJWRULEDIAQHW-AWEZNQCLSA-N 1 2 348.447 0.978 20 30 ECEDLO C#CCOCCC(=O)NCC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001076506008 756590512 /nfs/dbraw/zinc/59/05/12/756590512.db2.gz JOJGVJLDQRIJIP-AWEZNQCLSA-N 1 2 342.399 0.999 20 30 ECEDLO CC(C)(C(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1)c1c[nH+]c[nH]1 ZINC000990886985 756652217 /nfs/dbraw/zinc/65/22/17/756652217.db2.gz FZUJMQGJMIMYSU-UHFFFAOYSA-N 1 2 326.360 0.528 20 30 ECEDLO N#Cc1ccc(NC[C@H](O)CNC(=O)CCCn2cc[nH+]c2)cn1 ZINC001105893781 762489978 /nfs/dbraw/zinc/48/99/78/762489978.db2.gz HEJKFGIXXZDKDJ-HNNXBMFYSA-N 1 2 328.376 0.519 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2sccc2-n2ccnn2)[C@@H](O)C1 ZINC001083552703 756851947 /nfs/dbraw/zinc/85/19/47/756851947.db2.gz QTUXJKUAJKVRAF-YPMHNXCESA-N 1 2 331.401 0.127 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2sccc2-n2ccnn2)[C@@H](O)C1 ZINC001083552703 756851955 /nfs/dbraw/zinc/85/19/55/756851955.db2.gz QTUXJKUAJKVRAF-YPMHNXCESA-N 1 2 331.401 0.127 20 30 ECEDLO C=CCn1cc(C(=O)N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)nn1 ZINC001011062536 756859672 /nfs/dbraw/zinc/85/96/72/756859672.db2.gz CIUJNCCXHCSPBJ-UHFFFAOYSA-N 1 2 343.391 0.104 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CCCCC3)C2)C1=O ZINC001076694339 756864882 /nfs/dbraw/zinc/86/48/82/756864882.db2.gz RJFQFXHQYTXACE-OWCLPIDISA-N 1 2 335.448 0.515 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3CCCCC3)C2)C1=O ZINC001076694339 756864889 /nfs/dbraw/zinc/86/48/89/756864889.db2.gz RJFQFXHQYTXACE-OWCLPIDISA-N 1 2 335.448 0.515 20 30 ECEDLO O=C(Cn1cccn1)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001076741885 756960232 /nfs/dbraw/zinc/96/02/32/756960232.db2.gz UISWRYBHXZFICJ-IAGOWNOFSA-N 1 2 342.374 0.235 20 30 ECEDLO O=C(Cn1cccn1)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001076741885 756960242 /nfs/dbraw/zinc/96/02/42/756960242.db2.gz UISWRYBHXZFICJ-IAGOWNOFSA-N 1 2 342.374 0.235 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)C3=COCCC3)nn2)C1 ZINC001107140430 756960594 /nfs/dbraw/zinc/96/05/94/756960594.db2.gz DMZQNTDHOITWIS-UHFFFAOYSA-N 1 2 347.419 0.648 20 30 ECEDLO CCn1ncnc1C[N@H+]1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1 ZINC001048778950 756963890 /nfs/dbraw/zinc/96/38/90/756963890.db2.gz LSVSRJCPTYKPDR-OKILXGFUSA-N 1 2 339.403 0.702 20 30 ECEDLO CCn1ncnc1C[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1 ZINC001048778950 756963896 /nfs/dbraw/zinc/96/38/96/756963896.db2.gz LSVSRJCPTYKPDR-OKILXGFUSA-N 1 2 339.403 0.702 20 30 ECEDLO O=C(C[N@H+]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1)Nc1ccon1 ZINC001048812364 757073133 /nfs/dbraw/zinc/07/31/33/757073133.db2.gz GWLLMSNCBUCROB-OKILXGFUSA-N 1 2 328.372 0.417 20 30 ECEDLO O=C(C[N@@H+]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1)Nc1ccon1 ZINC001048812364 757073141 /nfs/dbraw/zinc/07/31/41/757073141.db2.gz GWLLMSNCBUCROB-OKILXGFUSA-N 1 2 328.372 0.417 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC/C=C/CNc1[nH+]cnc2c1cnn2C ZINC001107148576 757082337 /nfs/dbraw/zinc/08/23/37/757082337.db2.gz MJPWTFVHAJWMBS-JFDDCEBESA-N 1 2 330.392 0.775 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O)[C@H]1CCOC1 ZINC001076792406 757139394 /nfs/dbraw/zinc/13/93/94/757139394.db2.gz UZDOWFGJLHIWRF-USXIJHARSA-N 1 2 348.830 0.889 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O)[C@H]1CCOC1 ZINC001076792406 757139397 /nfs/dbraw/zinc/13/93/97/757139397.db2.gz UZDOWFGJLHIWRF-USXIJHARSA-N 1 2 348.830 0.889 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001011200623 757178482 /nfs/dbraw/zinc/17/84/82/757178482.db2.gz QTNYTYWIPCBHMI-RDJZCZTQSA-N 1 2 346.431 0.994 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001011200623 757178488 /nfs/dbraw/zinc/17/84/88/757178488.db2.gz QTNYTYWIPCBHMI-RDJZCZTQSA-N 1 2 346.431 0.994 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H](C)c3ccnn3C)nn2)C1 ZINC001107173042 757277320 /nfs/dbraw/zinc/27/73/20/757277320.db2.gz YSMYUQLTQIPUNE-ZDUSSCGKSA-N 1 2 343.435 0.864 20 30 ECEDLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC1CN(C(=O)C#CC2CC2)C1 ZINC000996325003 757372777 /nfs/dbraw/zinc/37/27/77/757372777.db2.gz DWACYXPTBODRRS-MRXNPFEDSA-N 1 2 333.432 0.228 20 30 ECEDLO CCCC[N@H+]1CCOC[C@@H]1C(=O)NC1CN(C(=O)C#CC2CC2)C1 ZINC000996325003 757372789 /nfs/dbraw/zinc/37/27/89/757372789.db2.gz DWACYXPTBODRRS-MRXNPFEDSA-N 1 2 333.432 0.228 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](OC)[C@H](C)CC)nn2)C1 ZINC001107183850 757393591 /nfs/dbraw/zinc/39/35/91/757393591.db2.gz WEMMUCZBXMMPFE-CJNGLKHVSA-N 1 2 333.436 0.835 20 30 ECEDLO Cc1cnc([C@H](C)[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)cn1 ZINC001076855810 757397931 /nfs/dbraw/zinc/39/79/31/757397931.db2.gz OGOKLBMTVYEBTR-IUIKQTSFSA-N 1 2 340.387 0.521 20 30 ECEDLO Cc1cnc([C@H](C)[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)cn1 ZINC001076855810 757397938 /nfs/dbraw/zinc/39/79/38/757397938.db2.gz OGOKLBMTVYEBTR-IUIKQTSFSA-N 1 2 340.387 0.521 20 30 ECEDLO O=C(Cc1cccnc1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001076892961 757493382 /nfs/dbraw/zinc/49/33/82/757493382.db2.gz YFTZENMSJOXULJ-RTBURBONSA-N 1 2 335.407 0.837 20 30 ECEDLO O=C(Cc1cccnc1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001076892961 757493389 /nfs/dbraw/zinc/49/33/89/757493389.db2.gz YFTZENMSJOXULJ-RTBURBONSA-N 1 2 335.407 0.837 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001021490706 757507555 /nfs/dbraw/zinc/50/75/55/757507555.db2.gz QOVZAOXGJZISIC-LSDHHAIUSA-N 1 2 326.400 0.815 20 30 ECEDLO Cc1cncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)c1 ZINC001076898398 757516993 /nfs/dbraw/zinc/51/69/93/757516993.db2.gz HEAFCPNRQUTIIG-HZPDHXFCSA-N 1 2 325.372 0.565 20 30 ECEDLO Cc1cncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)c1 ZINC001076898398 757516997 /nfs/dbraw/zinc/51/69/97/757516997.db2.gz HEAFCPNRQUTIIG-HZPDHXFCSA-N 1 2 325.372 0.565 20 30 ECEDLO C[C@H](c1cnccn1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001076907459 757565156 /nfs/dbraw/zinc/56/51/56/757565156.db2.gz PMVAPUDHMGBEQN-VCTAVGKDSA-N 1 2 326.360 0.212 20 30 ECEDLO C[C@H](c1cnccn1)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001076907459 757565165 /nfs/dbraw/zinc/56/51/65/757565165.db2.gz PMVAPUDHMGBEQN-VCTAVGKDSA-N 1 2 326.360 0.212 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCc3ccc(=O)[nH]c3)nn2)C1 ZINC001107198527 757568773 /nfs/dbraw/zinc/56/87/73/757568773.db2.gz JWWDEQIAXRCRGV-UHFFFAOYSA-N 1 2 342.403 0.670 20 30 ECEDLO C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001076941947 757691701 /nfs/dbraw/zinc/69/17/01/757691701.db2.gz VUHNRMYJUJZVBA-WMLDXEAASA-N 1 2 348.447 0.898 20 30 ECEDLO C=CCCC[NH+]1CC(n2cc(CNC(=O)C3=NC(=O)N(C)C3)nn2)C1 ZINC001107206347 757720474 /nfs/dbraw/zinc/72/04/74/757720474.db2.gz KLRCTVXBRSTLPO-UHFFFAOYSA-N 1 2 345.407 0.470 20 30 ECEDLO N#Cc1ccc(N2CC=C(CNC(=O)CCn3cc[nH+]c3)CC2)nn1 ZINC001127736709 757766570 /nfs/dbraw/zinc/76/65/70/757766570.db2.gz ROSRFPDMBMUFOD-UHFFFAOYSA-N 1 2 337.387 0.888 20 30 ECEDLO C#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CCS(=O)(=O)CC2)C1 ZINC001021682294 757777904 /nfs/dbraw/zinc/77/79/04/757777904.db2.gz ONUKIXLYPBZONM-CVEARBPZSA-N 1 2 338.473 0.757 20 30 ECEDLO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CCS(=O)(=O)CC2)C1 ZINC001021682294 757777909 /nfs/dbraw/zinc/77/79/09/757777909.db2.gz ONUKIXLYPBZONM-CVEARBPZSA-N 1 2 338.473 0.757 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)COc3cccnc3)nn2)C1 ZINC001107221416 757861783 /nfs/dbraw/zinc/86/17/83/757861783.db2.gz YLGJNGSMPIUCHR-UHFFFAOYSA-N 1 2 328.376 0.411 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C[C@@H](C)[C@H]3CCCO3)nn2)C1 ZINC001107232157 757950900 /nfs/dbraw/zinc/95/09/00/757950900.db2.gz VKOOYJXGEJSVFF-RHSMWYFYSA-N 1 2 345.447 0.980 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)C[C@H]3CCCO3)nn2)C1 ZINC001107241439 758044854 /nfs/dbraw/zinc/04/48/54/758044854.db2.gz UUHJZWFGDXJFOK-WMLDXEAASA-N 1 2 345.447 0.980 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001049125780 758046520 /nfs/dbraw/zinc/04/65/20/758046520.db2.gz IVRCKMHWLNWEJG-GJZGRUSLSA-N 1 2 348.447 0.906 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C(F)=C(C)C)[C@H](OC)C2)C1=O ZINC001212126906 758046732 /nfs/dbraw/zinc/04/67/32/758046732.db2.gz CBQCRORCMILJPT-HZSPNIEDSA-N 1 2 339.411 0.852 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C(F)=C(C)C)[C@H](OC)C2)C1=O ZINC001212126906 758046739 /nfs/dbraw/zinc/04/67/39/758046739.db2.gz CBQCRORCMILJPT-HZSPNIEDSA-N 1 2 339.411 0.852 20 30 ECEDLO C[C@@H](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)NC(=O)C#CC1CC1 ZINC001077104196 758189862 /nfs/dbraw/zinc/18/98/62/758189862.db2.gz 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C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC000991561920 761611616 /nfs/dbraw/zinc/61/16/16/761611616.db2.gz DRERBIKSKCAKSC-ZIAGYGMSSA-N 1 2 334.420 0.563 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(=O)n(CCC)n1 ZINC001051238442 761738105 /nfs/dbraw/zinc/73/81/05/761738105.db2.gz NFWAHDBSYJXXRK-AWEZNQCLSA-N 1 2 334.420 0.660 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(=O)n(CCC)n1 ZINC001051238442 761738108 /nfs/dbraw/zinc/73/81/08/761738108.db2.gz NFWAHDBSYJXXRK-AWEZNQCLSA-N 1 2 334.420 0.660 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccccc1-n1cnnn1 ZINC001051238783 761738952 /nfs/dbraw/zinc/73/89/52/761738952.db2.gz XRZXKHPUGQWKAF-CQSZACIVSA-N 1 2 342.403 0.669 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccccc1-n1cnnn1 ZINC001051238783 761738958 /nfs/dbraw/zinc/73/89/58/761738958.db2.gz XRZXKHPUGQWKAF-CQSZACIVSA-N 1 2 342.403 0.669 20 30 ECEDLO C#CCOCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001051312575 761867541 /nfs/dbraw/zinc/86/75/41/761867541.db2.gz VNQHOZZGAYTIQH-HIFRSBDPSA-N 1 2 346.431 0.654 20 30 ECEDLO C#CCOCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001051312576 761867723 /nfs/dbraw/zinc/86/77/23/761867723.db2.gz VNQHOZZGAYTIQH-UKRRQHHQSA-N 1 2 346.431 0.654 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cnnn2CC)C1 ZINC001014471090 762727117 /nfs/dbraw/zinc/72/71/17/762727117.db2.gz QXWVTAYFYHGJIX-IMJJTQAJSA-N 1 2 333.436 0.970 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cnnn2CC)C1 ZINC001014471090 762727124 /nfs/dbraw/zinc/72/71/24/762727124.db2.gz QXWVTAYFYHGJIX-IMJJTQAJSA-N 1 2 333.436 0.970 20 30 ECEDLO N#Cc1c(F)cccc1N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001051718159 762788266 /nfs/dbraw/zinc/78/82/66/762788266.db2.gz MTEVMCYYRSMYON-DZGCQCFKSA-N 1 2 343.362 0.719 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCO[C@@H](C[NH2+]Cc2nc(COC)no2)C1 ZINC001051756037 762886997 /nfs/dbraw/zinc/88/69/97/762886997.db2.gz NHEOLVIHCTYNDK-LBPRGKRZSA-N 1 2 338.408 0.745 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2O)C1 ZINC000991758306 763289377 /nfs/dbraw/zinc/28/93/77/763289377.db2.gz CLGWBQWCRJRKRB-UONOGXRCSA-N 1 2 332.404 0.387 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3nc(C)no3)C2)cn1 ZINC001051908792 763303300 /nfs/dbraw/zinc/30/33/00/763303300.db2.gz LIEDKGJTILGASI-OAHLLOKOSA-N 1 2 341.371 0.385 20 30 ECEDLO N#Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)ccc1F ZINC001077536560 768136497 /nfs/dbraw/zinc/13/64/97/768136497.db2.gz LAKOULWUFDPAQL-IEHFGQBSSA-N 1 2 345.374 0.251 20 30 ECEDLO N#Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)ccc1F ZINC001077536560 768136502 /nfs/dbraw/zinc/13/65/02/768136502.db2.gz LAKOULWUFDPAQL-IEHFGQBSSA-N 1 2 345.374 0.251 20 30 ECEDLO CN1C[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)NC1=O ZINC001031902568 763473533 /nfs/dbraw/zinc/47/35/33/763473533.db2.gz OMFUUTGDAIINGC-HNNXBMFYSA-N 1 2 345.378 0.269 20 30 ECEDLO Cn1nnc(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001031905052 763481002 /nfs/dbraw/zinc/48/10/02/763481002.db2.gz UUONLJXALAOFNR-UHFFFAOYSA-N 1 2 329.339 0.083 20 30 ECEDLO Cc1cc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)no1 ZINC001051998465 763551242 /nfs/dbraw/zinc/55/12/42/763551242.db2.gz UPVQABCYSZMYQW-CZUORRHYSA-N 1 2 331.420 0.861 20 30 ECEDLO COc1cc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)on1 ZINC001051998379 763551824 /nfs/dbraw/zinc/55/18/24/763551824.db2.gz SEIZOEKMQPPIEK-KGLIPLIRSA-N 1 2 347.419 0.561 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)Cc3cc[nH]n3)C2)CC1 ZINC001052003571 763565004 /nfs/dbraw/zinc/56/50/04/763565004.db2.gz WGZCSVSKPNQQJA-HNNXBMFYSA-N 1 2 337.855 0.923 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(C)nn3)C2)CC1 ZINC001052026489 763620048 /nfs/dbraw/zinc/62/00/48/763620048.db2.gz PRYMVOOGMQWPGG-MRXNPFEDSA-N 1 2 327.432 0.640 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn4c3CCC4)C2)CC1 ZINC001052035468 763642090 /nfs/dbraw/zinc/64/20/90/763642090.db2.gz JZKPJSUUKSOJKE-HNNXBMFYSA-N 1 2 327.432 0.295 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)C2)CC1 ZINC001052035935 763646311 /nfs/dbraw/zinc/64/63/11/763646311.db2.gz UQZBYTOHZVYBBC-IAGOWNOFSA-N 1 2 348.491 0.649 20 30 ECEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([NH+]2CCN(CCO)CC2)C1 ZINC001052036678 763650312 /nfs/dbraw/zinc/65/03/12/763650312.db2.gz SHUCSWQVLYDHKB-MRXNPFEDSA-N 1 2 332.448 0.499 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@H]3CCC(=O)NC3)C2)CC1 ZINC001052036931 763651883 /nfs/dbraw/zinc/65/18/83/763651883.db2.gz YKKISOFULYTPDC-IAGOWNOFSA-N 1 2 346.475 0.145 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc4c([nH]3)CCOC4)C2)CC1 ZINC001052036924 763652038 /nfs/dbraw/zinc/65/20/38/763652038.db2.gz YDMALSYBKSEERC-INIZCTEOSA-N 1 2 342.443 0.553 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc4n3CCC4)C2)CC1 ZINC001052037044 763652244 /nfs/dbraw/zinc/65/22/44/763652244.db2.gz CQIGBJHDFBATAM-AWEZNQCLSA-N 1 2 328.420 0.185 20 30 ECEDLO N#Cc1ccc(NC[C@H](O)CNC(=O)[C@H]2CCn3c[nH+]cc3C2)nc1 ZINC001106008180 763665489 /nfs/dbraw/zinc/66/54/89/763665489.db2.gz WDDVXELUWDTMHV-ZFWWWQNUSA-N 1 2 340.387 0.301 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn(CCF)c3)C2)CC1 ZINC001052045415 763682331 /nfs/dbraw/zinc/68/23/31/763682331.db2.gz SHGRUZPRDQVJFU-MRXNPFEDSA-N 1 2 335.427 0.871 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3n[nH]c4c3CCCC4)C2)CC1 ZINC001052047900 763692635 /nfs/dbraw/zinc/69/26/35/763692635.db2.gz FBLSPPMOVRICON-AWEZNQCLSA-N 1 2 342.447 0.644 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccn4ccnc4c3)C2)CC1 ZINC001052049494 763702851 /nfs/dbraw/zinc/70/28/51/763702851.db2.gz MRAFYRLBQIASTB-INIZCTEOSA-N 1 2 338.415 0.690 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C2)CC1 ZINC001052050039 763704662 /nfs/dbraw/zinc/70/46/62/763704662.db2.gz RGOAMGCGEXJFPD-CQSZACIVSA-N 1 2 344.419 0.021 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001052055111 763723581 /nfs/dbraw/zinc/72/35/81/763723581.db2.gz HLTYMTMQZHUVHX-QKDSSNGWSA-N 1 2 343.471 0.652 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ncccn3)C2)nn1 ZINC001098757851 763733885 /nfs/dbraw/zinc/73/38/85/763733885.db2.gz TVVFXUGPRULIDZ-AWEZNQCLSA-N 1 2 325.376 0.268 20 30 ECEDLO COc1ccnc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)c1 ZINC001052060396 763739786 /nfs/dbraw/zinc/73/97/86/763739786.db2.gz CRNMTBUTBBSPMY-AWEZNQCLSA-N 1 2 329.404 0.446 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCn3cccc3)C2)nn1 ZINC001098758007 763747321 /nfs/dbraw/zinc/74/73/21/763747321.db2.gz VLGXYTGVZKSEMO-MRXNPFEDSA-N 1 2 326.404 0.666 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN([C@H]3CCNC3=O)CC2)C1 ZINC001052062915 763748275 /nfs/dbraw/zinc/74/82/75/763748275.db2.gz QJEVKWCOYIZEOB-CABCVRRESA-N 1 2 334.464 0.306 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3C(C)C)C2)CC1 ZINC001052068339 763762011 /nfs/dbraw/zinc/76/20/11/763762011.db2.gz GEIKLIPZGCSKLA-SJORKVTESA-N 1 2 346.475 0.238 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3ncccc3F)C2)CC1 ZINC001052070028 763767158 /nfs/dbraw/zinc/76/71/58/763767158.db2.gz BBCUVIOSENNOHU-HNNXBMFYSA-N 1 2 330.407 0.615 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(C(F)F)n[nH]3)C2)CC1 ZINC001052082556 763801622 /nfs/dbraw/zinc/80/16/22/763801622.db2.gz UFYYYSXZYYOTSR-NSHDSACASA-N 1 2 338.362 0.703 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3ccncc3Cl)CC2)C1 ZINC000941567617 763802183 /nfs/dbraw/zinc/80/21/83/763802183.db2.gz YWOVSDIAASYAEN-UHFFFAOYSA-N 1 2 332.835 0.739 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3Cc4ccncc4C3)C2)CC1 ZINC001052083113 763803921 /nfs/dbraw/zinc/80/39/21/763803921.db2.gz JMIVEIVYUCUCBI-MJGOQNOKSA-N 1 2 338.455 0.648 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)CC1 ZINC001052083177 763804663 /nfs/dbraw/zinc/80/46/63/763804663.db2.gz LLHFFJREYCXEQI-BBWFWOEESA-N 1 2 348.491 0.505 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)C2)CC1 ZINC001052089637 763824355 /nfs/dbraw/zinc/82/43/55/763824355.db2.gz SDLHPTJLHIKUEU-IAGOWNOFSA-N 1 2 346.475 0.097 20 30 ECEDLO COCc1cc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)no1 ZINC001052092822 763834555 /nfs/dbraw/zinc/83/45/55/763834555.db2.gz FIQPGTARLXHHLN-ZDUSSCGKSA-N 1 2 333.392 0.177 20 30 ECEDLO COc1cccc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052105354 763875780 /nfs/dbraw/zinc/87/57/80/763875780.db2.gz JVXTVWJQOVFBKN-CQSZACIVSA-N 1 2 329.404 0.446 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn4c3CCCC4)C2)CC1 ZINC001052105823 763877642 /nfs/dbraw/zinc/87/76/42/763877642.db2.gz QWCIBLMTGUKDKJ-INIZCTEOSA-N 1 2 341.459 0.685 20 30 ECEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC001031972840 763891468 /nfs/dbraw/zinc/89/14/68/763891468.db2.gz IROMDIDBHCIIEZ-OLZOCXBDSA-N 1 2 329.828 0.423 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C2)CC1 ZINC001052117135 763926543 /nfs/dbraw/zinc/92/65/43/763926543.db2.gz HQGNYBQFJBXAIN-INIZCTEOSA-N 1 2 341.415 0.141 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)CN(C)c3ccccc3)C2)CC1 ZINC001052122713 763947457 /nfs/dbraw/zinc/94/74/57/763947457.db2.gz YTSVMIDQFJAIHG-IBGZPJMESA-N 1 2 340.471 0.975 20 30 ECEDLO CCOc1cnc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)cn1 ZINC001052125676 763954337 /nfs/dbraw/zinc/95/43/37/763954337.db2.gz YHOKDCBNWUYDMG-CQSZACIVSA-N 1 2 344.419 0.231 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](CC(=O)N2CCC[C@@H](C)C2)C1 ZINC001031987520 763995024 /nfs/dbraw/zinc/99/50/24/763995024.db2.gz RHANJYHFFLAGIL-OIISXLGYSA-N 1 2 349.475 0.884 20 30 ECEDLO CN(C(=O)Cc1cc[nH]n1)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047331624 764027064 /nfs/dbraw/zinc/02/70/64/764027064.db2.gz JBQQSYWXSJFPDR-GJZGRUSLSA-N 1 2 345.428 0.589 20 30 ECEDLO CN(C(=O)Cc1cc[nH]n1)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047331624 764027074 /nfs/dbraw/zinc/02/70/74/764027074.db2.gz JBQQSYWXSJFPDR-GJZGRUSLSA-N 1 2 345.428 0.589 20 30 ECEDLO CCN(CCNc1ccnc(C#N)n1)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001106967351 764064021 /nfs/dbraw/zinc/06/40/21/764064021.db2.gz HIZRYQOGEXSQFP-GFCCVEGCSA-N 1 2 327.392 0.632 20 30 ECEDLO CCN(CCNc1ccnc(C#N)n1)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001106967351 764064029 /nfs/dbraw/zinc/06/40/29/764064029.db2.gz HIZRYQOGEXSQFP-GFCCVEGCSA-N 1 2 327.392 0.632 20 30 ECEDLO Cc1ncoc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001047353556 764089119 /nfs/dbraw/zinc/08/91/19/764089119.db2.gz FKQDOBZTOGLCQP-KBPBESRZSA-N 1 2 329.360 0.500 20 30 ECEDLO Cc1ncoc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001047353556 764089127 /nfs/dbraw/zinc/08/91/27/764089127.db2.gz FKQDOBZTOGLCQP-KBPBESRZSA-N 1 2 329.360 0.500 20 30 ECEDLO C=CCn1cc(C(=O)NCC2C[NH+](Cc3conc3CC)C2)nn1 ZINC001032035634 764224326 /nfs/dbraw/zinc/22/43/26/764224326.db2.gz IGUCCUUNRZNHKG-UHFFFAOYSA-N 1 2 330.392 0.876 20 30 ECEDLO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001052319560 764243658 /nfs/dbraw/zinc/24/36/58/764243658.db2.gz DHZGOXKSUJKVJR-OCCSQVGLSA-N 1 2 340.387 0.607 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3ccnc3)n2)C1 ZINC001047439914 764350441 /nfs/dbraw/zinc/35/04/41/764350441.db2.gz WZUYNMZYURAQPJ-GJZGRUSLSA-N 1 2 325.372 0.018 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3ccnc3)n2)C1 ZINC001047439914 764350450 /nfs/dbraw/zinc/35/04/50/764350450.db2.gz WZUYNMZYURAQPJ-GJZGRUSLSA-N 1 2 325.372 0.018 20 30 ECEDLO Cc1n[nH]cc1C(=O)N(C)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047479686 764467132 /nfs/dbraw/zinc/46/71/32/764467132.db2.gz URTJNTGPOBRFPR-GJZGRUSLSA-N 1 2 345.428 0.969 20 30 ECEDLO Cc1n[nH]cc1C(=O)N(C)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047479686 764467134 /nfs/dbraw/zinc/46/71/34/764467134.db2.gz URTJNTGPOBRFPR-GJZGRUSLSA-N 1 2 345.428 0.969 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)[C@H]2C[N@H+](Cc3cnn(C)c3)C[C@@H]2O)c1 ZINC001047520999 764579272 /nfs/dbraw/zinc/57/92/72/764579272.db2.gz ISWGXBNEYNEWRR-IRXDYDNUSA-N 1 2 339.399 0.114 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)[C@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@H]2O)c1 ZINC001047520999 764579280 /nfs/dbraw/zinc/57/92/80/764579280.db2.gz ISWGXBNEYNEWRR-IRXDYDNUSA-N 1 2 339.399 0.114 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cn(C)nc3Cl)C2)nn1 ZINC001098768076 764645079 /nfs/dbraw/zinc/64/50/79/764645079.db2.gz QMSBCLOLIYEOPF-LBPRGKRZSA-N 1 2 347.810 0.475 20 30 ECEDLO C=CCn1cc(C(=O)N(C)[C@H]2C[N@H+](C[C@H](F)CC)C[C@@H]2O)nn1 ZINC001047553864 764678733 /nfs/dbraw/zinc/67/87/33/764678733.db2.gz BACFEQNDFKNMFA-XBFCOCLRSA-N 1 2 325.388 0.329 20 30 ECEDLO C=CCn1cc(C(=O)N(C)[C@H]2C[N@@H+](C[C@H](F)CC)C[C@@H]2O)nn1 ZINC001047553864 764678742 /nfs/dbraw/zinc/67/87/42/764678742.db2.gz BACFEQNDFKNMFA-XBFCOCLRSA-N 1 2 325.388 0.329 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)[nH]1 ZINC001015472576 764717536 /nfs/dbraw/zinc/71/75/36/764717536.db2.gz FGKFQWYEXZMNEM-OLZOCXBDSA-N 1 2 340.387 0.798 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)c[nH]1 ZINC001015474170 764723958 /nfs/dbraw/zinc/72/39/58/764723958.db2.gz NEBDLTAXNMDDOT-JSGCOSHPSA-N 1 2 340.387 0.798 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2C[NH+](CC(=O)N3CCCC3)C2)nc1 ZINC001032135028 764784010 /nfs/dbraw/zinc/78/40/10/764784010.db2.gz HLTVFZPPQSAVCN-UHFFFAOYSA-N 1 2 326.400 0.347 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(OCC3CC3)cn2)C1 ZINC001047593328 764812725 /nfs/dbraw/zinc/81/27/25/764812725.db2.gz GHOMOOBYPWKCBF-GJZGRUSLSA-N 1 2 330.388 0.016 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(OCC3CC3)cn2)C1 ZINC001047593328 764812732 /nfs/dbraw/zinc/81/27/32/764812732.db2.gz GHOMOOBYPWKCBF-GJZGRUSLSA-N 1 2 330.388 0.016 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2OCC(C)C)C1 ZINC001047599524 764838664 /nfs/dbraw/zinc/83/86/64/764838664.db2.gz XIVYYBYEMNQNPP-HOTGVXAUSA-N 1 2 331.416 0.867 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccnc2OCC(C)C)C1 ZINC001047599524 764838670 /nfs/dbraw/zinc/83/86/70/764838670.db2.gz XIVYYBYEMNQNPP-HOTGVXAUSA-N 1 2 331.416 0.867 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3nc(C)no3)CC2)nn1 ZINC001052775035 765098510 /nfs/dbraw/zinc/09/85/10/765098510.db2.gz QELYPMAELAFXBA-CYBMUJFWSA-N 1 2 345.407 0.940 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3nc(C)no3)CC2)nn1 ZINC001052775035 765098521 /nfs/dbraw/zinc/09/85/21/765098521.db2.gz QELYPMAELAFXBA-CYBMUJFWSA-N 1 2 345.407 0.940 20 30 ECEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001052799729 765143126 /nfs/dbraw/zinc/14/31/26/765143126.db2.gz UEXHMDYKJVSTGA-ZDUSSCGKSA-N 1 2 342.403 0.065 20 30 ECEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001052799729 765143132 /nfs/dbraw/zinc/14/31/32/765143132.db2.gz UEXHMDYKJVSTGA-ZDUSSCGKSA-N 1 2 342.403 0.065 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000992026408 765201781 /nfs/dbraw/zinc/20/17/81/765201781.db2.gz BNESCBVMSSZDSW-ZFWWWQNUSA-N 1 2 346.431 0.996 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000992031390 765217838 /nfs/dbraw/zinc/21/78/38/765217838.db2.gz LXUKCKACMIKPJB-BBRMVZONSA-N 1 2 332.404 0.569 20 30 ECEDLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1CNC(=O)CSCC#N ZINC001052865739 765250547 /nfs/dbraw/zinc/25/05/47/765250547.db2.gz BUUXSSTZKOGOFP-STQMWFEESA-N 1 2 335.433 0.351 20 30 ECEDLO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cnon3)C2)cc1C#N ZINC001015877796 765486493 /nfs/dbraw/zinc/48/64/93/765486493.db2.gz ZZZYAOGAYJGRFI-CYBMUJFWSA-N 1 2 327.344 0.954 20 30 ECEDLO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cnon3)C2)cc1C#N ZINC001015877796 765486498 /nfs/dbraw/zinc/48/64/98/765486498.db2.gz ZZZYAOGAYJGRFI-CYBMUJFWSA-N 1 2 327.344 0.954 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000992143966 765647600 /nfs/dbraw/zinc/64/76/00/765647600.db2.gz DTQPZSGFBJDULU-ITMHDFIRSA-N 1 2 346.431 0.944 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@H](C)CCNc1ncnc2c1C[N@H+](C)CC2 ZINC001106442585 768309543 /nfs/dbraw/zinc/30/95/43/768309543.db2.gz IXPFWPCRMWDAEM-KGLIPLIRSA-N 1 2 345.447 0.810 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@H](C)CCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106442585 768309551 /nfs/dbraw/zinc/30/95/51/768309551.db2.gz IXPFWPCRMWDAEM-KGLIPLIRSA-N 1 2 345.447 0.810 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3c(C)nnn3CC)C2)cn1 ZINC001016028709 765732051 /nfs/dbraw/zinc/73/20/51/765732051.db2.gz BFDLTHDNBZYCHN-INIZCTEOSA-N 1 2 338.415 0.987 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3c(C)nnn3CC)C2)cn1 ZINC001016028709 765732054 /nfs/dbraw/zinc/73/20/54/765732054.db2.gz BFDLTHDNBZYCHN-INIZCTEOSA-N 1 2 338.415 0.987 20 30 ECEDLO N#Cc1cnccc1NC[C@H](O)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001106104481 765750866 /nfs/dbraw/zinc/75/08/66/765750866.db2.gz MMXUIOOGEDPVSZ-STQMWFEESA-N 1 2 340.387 0.107 20 30 ECEDLO N#Cc1ccc(NC[C@H](O)CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)nn1 ZINC001106105847 765765957 /nfs/dbraw/zinc/76/59/57/765765957.db2.gz YSHUSICMEYQZLL-RYUDHWBXSA-N 1 2 341.375 0.080 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H](C)CCNC(=O)Cc2c[nH+]cn2C)c1 ZINC001077501090 765779456 /nfs/dbraw/zinc/77/94/56/765779456.db2.gz OBGCNOBFWJBCCK-ZDUSSCGKSA-N 1 2 339.399 0.664 20 30 ECEDLO C=CCCOCC(=O)NC[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001053268146 765871102 /nfs/dbraw/zinc/87/11/02/765871102.db2.gz OMNDEWCRHDXARG-KGLIPLIRSA-N 1 2 334.420 0.756 20 30 ECEDLO O=C(Cn1cncn1)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001016185190 765881753 /nfs/dbraw/zinc/88/17/53/765881753.db2.gz PQASNGYNPYDAHY-MRXNPFEDSA-N 1 2 327.363 0.659 20 30 ECEDLO O=C(Cn1cncn1)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001016185190 765881761 /nfs/dbraw/zinc/88/17/61/765881761.db2.gz PQASNGYNPYDAHY-MRXNPFEDSA-N 1 2 327.363 0.659 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cnn3ccncc13)CCO2 ZINC001053289099 765916138 /nfs/dbraw/zinc/91/61/38/765916138.db2.gz STPUWKSVSZWZIP-UHFFFAOYSA-N 1 2 327.388 0.832 20 30 ECEDLO C#CCCN1CC2(C1)CN(C(=O)[C@@H]1CCc3c[nH+]cn3C1)CCO2 ZINC001053315399 765955417 /nfs/dbraw/zinc/95/54/17/765955417.db2.gz DCVADUWXOBXBQU-OAHLLOKOSA-N 1 2 328.416 0.382 20 30 ECEDLO CC#CCN1CC2(C1)CN(C(=O)[C@H]1CCc3c[nH+]cn3C1)CCO2 ZINC001053317138 765960674 /nfs/dbraw/zinc/96/06/74/765960674.db2.gz ZMZXQOZMUPPGCY-HNNXBMFYSA-N 1 2 328.416 0.382 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC000993177785 768339013 /nfs/dbraw/zinc/33/90/13/768339013.db2.gz BOBHUSHWSDWQDR-GRDNDAEWSA-N 1 2 329.404 0.740 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1c(OC)cc[nH]c1=O)CCO2 ZINC001053510041 766261405 /nfs/dbraw/zinc/26/14/05/766261405.db2.gz XHVUDDSVBUJKRQ-UHFFFAOYSA-N 1 2 333.388 0.899 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](CC)N1CCCC1=O)CCO2 ZINC001053537292 766300498 /nfs/dbraw/zinc/30/04/98/766300498.db2.gz ZPWZAKPWPSHVLO-OAHLLOKOSA-N 1 2 335.448 0.877 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001045785643 766370250 /nfs/dbraw/zinc/37/02/50/766370250.db2.gz RXXVDGYAHFKICO-GUYCJALGSA-N 1 2 348.447 0.880 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001045785643 766370260 /nfs/dbraw/zinc/37/02/60/766370260.db2.gz RXXVDGYAHFKICO-GUYCJALGSA-N 1 2 348.447 0.880 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccn(C)c(=O)c1)O2 ZINC001053619067 766447817 /nfs/dbraw/zinc/44/78/17/766447817.db2.gz KBJVGXSZDCGOQO-OAHLLOKOSA-N 1 2 331.416 0.925 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCN(C(N)=O)C1)O2 ZINC001053625707 766466477 /nfs/dbraw/zinc/46/64/77/766466477.db2.gz CTQXOCSJKDKTHW-UONOGXRCSA-N 1 2 336.436 0.313 20 30 ECEDLO CO[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212253935 766510424 /nfs/dbraw/zinc/51/04/24/766510424.db2.gz LLNPXJSEHRCEJV-HUUCEWRRSA-N 1 2 337.464 0.718 20 30 ECEDLO CO[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212253935 766510428 /nfs/dbraw/zinc/51/04/28/766510428.db2.gz LLNPXJSEHRCEJV-HUUCEWRRSA-N 1 2 337.464 0.718 20 30 ECEDLO CC#CCN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)O2 ZINC001053660464 766531103 /nfs/dbraw/zinc/53/11/03/766531103.db2.gz KOEGGSBFTKTHAE-BZUAXINKSA-N 1 2 342.443 0.897 20 30 ECEDLO C#CCOc1ccc(C(=O)NC[C@H]2CCC3(C[NH+](CCO)C3)O2)cc1 ZINC001053673133 766553666 /nfs/dbraw/zinc/55/36/66/766553666.db2.gz RVKLUCKHPUBFII-QGZVFWFLSA-N 1 2 344.411 0.654 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCN(C(=O)CC)C1)O2 ZINC001053688363 766593000 /nfs/dbraw/zinc/59/30/00/766593000.db2.gz PIAOEXXJBCKAJO-CABCVRRESA-N 1 2 335.448 0.781 20 30 ECEDLO Cc1cc(NC[C@H](O)CNC(=O)C[C@@H](C)n2cc[nH+]c2)c(C#N)cn1 ZINC001106131862 766597119 /nfs/dbraw/zinc/59/71/19/766597119.db2.gz LVWPXBHSVBEPRF-HIFRSBDPSA-N 1 2 342.403 0.420 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnn(CCOC)c1)O2 ZINC001053694708 766605088 /nfs/dbraw/zinc/60/50/88/766605088.db2.gz XQPMGZDCCCKLEF-OAHLLOKOSA-N 1 2 334.420 0.679 20 30 ECEDLO Cc1nnc(C[N@H+]2CC[C@@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)o1 ZINC001046011554 766636036 /nfs/dbraw/zinc/63/60/36/766636036.db2.gz DWXVVVHQZOMWDT-GXTWGEPZSA-N 1 2 332.408 0.256 20 30 ECEDLO Cc1nnc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)o1 ZINC001046011554 766636041 /nfs/dbraw/zinc/63/60/41/766636041.db2.gz DWXVVVHQZOMWDT-GXTWGEPZSA-N 1 2 332.408 0.256 20 30 ECEDLO O=C(C#CC1CC1)N1CC[NH+]([C@@H]2CCN(Cc3cnsn3)C2)CC1 ZINC001046028298 766690422 /nfs/dbraw/zinc/69/04/22/766690422.db2.gz YPQYRYHKTWKJTP-MRXNPFEDSA-N 1 2 345.472 0.670 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)C3(c4ccccn4)CC3)CC2)C1 ZINC001046030710 766698209 /nfs/dbraw/zinc/69/82/09/766698209.db2.gz ZIRJOFYMBYLIHU-INIZCTEOSA-N 1 2 339.443 0.855 20 30 ECEDLO Cc1c(CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)cnn1C ZINC001046032383 766704468 /nfs/dbraw/zinc/70/44/68/766704468.db2.gz CLOICXAFFUUPCR-MRXNPFEDSA-N 1 2 330.436 0.013 20 30 ECEDLO CC(C)Cn1nccc1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046033559 766710298 /nfs/dbraw/zinc/71/02/98/766710298.db2.gz HPXJWXXCQDQVFI-MRXNPFEDSA-N 1 2 344.463 0.895 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cnn4ccncc34)CC2)C1 ZINC001046035597 766720804 /nfs/dbraw/zinc/72/08/04/766720804.db2.gz QFQZCZFTGNJJDO-CQSZACIVSA-N 1 2 339.403 0.085 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001016688751 766733989 /nfs/dbraw/zinc/73/39/89/766733989.db2.gz SOTCSFWPISMXMH-FJBKBRRZSA-N 1 2 346.431 0.970 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cncc4[nH]ccc43)CC2)C1 ZINC001046042061 766754625 /nfs/dbraw/zinc/75/46/25/766754625.db2.gz RNCNQXOSIGYFDS-CQSZACIVSA-N 1 2 338.415 0.919 20 30 ECEDLO Cc1cc(C2(C(=O)N3CC[NH+]([C@H]4CCN(CC#N)C4)CC3)CC2)on1 ZINC001046056911 766814089 /nfs/dbraw/zinc/81/40/89/766814089.db2.gz WBPFBEUYZNOFMH-HNNXBMFYSA-N 1 2 343.431 0.757 20 30 ECEDLO Cn1cnnc1C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 ZINC001042001475 782582319 /nfs/dbraw/zinc/58/23/19/782582319.db2.gz YVHOGXUQAPDGBZ-HIFRSBDPSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1cnnc1C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 ZINC001042001475 782582326 /nfs/dbraw/zinc/58/23/26/782582326.db2.gz YVHOGXUQAPDGBZ-HIFRSBDPSA-N 1 2 339.403 0.751 20 30 ECEDLO CC(C)n1ccc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)n1 ZINC001046067264 766857667 /nfs/dbraw/zinc/85/76/67/766857667.db2.gz VZIGVMXBDAHNOO-HNNXBMFYSA-N 1 2 330.436 0.820 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)nn1 ZINC001046070070 766870999 /nfs/dbraw/zinc/87/09/99/766870999.db2.gz OHYAUDPIIXXGHJ-HNNXBMFYSA-N 1 2 343.435 0.210 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](O)CNc1ncc(C#N)cc1F ZINC001106134720 766892868 /nfs/dbraw/zinc/89/28/68/766892868.db2.gz DVVJKCZCDZABBN-ZWNOBZJWSA-N 1 2 346.366 0.583 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](O)CNc1ncc(C#N)cc1F ZINC001106134720 766892878 /nfs/dbraw/zinc/89/28/78/766892878.db2.gz DVVJKCZCDZABBN-ZWNOBZJWSA-N 1 2 346.366 0.583 20 30 ECEDLO CC(C)Cn1cc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)cn1 ZINC001046075194 766895761 /nfs/dbraw/zinc/89/57/61/766895761.db2.gz PGBMXSQNMHYJGN-QGZVFWFLSA-N 1 2 344.463 0.895 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(OC2CN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC000994822914 766901145 /nfs/dbraw/zinc/90/11/45/766901145.db2.gz SKOJUNWRVGFCNL-CYBMUJFWSA-N 1 2 345.403 0.261 20 30 ECEDLO COc1ccc(CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)cc1 ZINC001046080506 766917587 /nfs/dbraw/zinc/91/75/87/766917587.db2.gz OUGAGNDQIACIHV-KRWDZBQOSA-N 1 2 342.443 0.980 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ncc(C)cc1OC)CO2 ZINC001053832084 766969385 /nfs/dbraw/zinc/96/93/85/766969385.db2.gz ZDGWJODKCKYHKA-CQSZACIVSA-N 1 2 329.400 0.995 20 30 ECEDLO CC#CCN1CC2(C1)C[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)CO2 ZINC001053845600 767001585 /nfs/dbraw/zinc/00/15/85/767001585.db2.gz SXZALSYGMXIOTD-OAHLLOKOSA-N 1 2 330.432 0.909 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cncc(OC)c1C)CO2 ZINC001053848185 767009578 /nfs/dbraw/zinc/00/95/78/767009578.db2.gz SXXPNRFNNDPHJJ-CQSZACIVSA-N 1 2 329.400 0.995 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCN(C(C)=O)C1)CO2 ZINC001053864596 767067494 /nfs/dbraw/zinc/06/74/94/767067494.db2.gz FLOYTFRWSJUQFJ-CVEARBPZSA-N 1 2 333.432 0.228 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000938715683 767076806 /nfs/dbraw/zinc/07/68/06/767076806.db2.gz VMGXCAJTJRWNCK-XHSDSOJGSA-N 1 2 346.431 0.993 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000938715683 767076815 /nfs/dbraw/zinc/07/68/15/767076815.db2.gz VMGXCAJTJRWNCK-XHSDSOJGSA-N 1 2 346.431 0.993 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3nnnn3c1)CO2 ZINC001053869529 767083453 /nfs/dbraw/zinc/08/34/53/767083453.db2.gz OIAOMUGSAXGNAG-CYBMUJFWSA-N 1 2 328.376 0.274 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC(N)=O)cn1 ZINC001089722778 767124391 /nfs/dbraw/zinc/12/43/91/767124391.db2.gz CYNGHANFFFXAGI-HNNXBMFYSA-N 1 2 328.416 0.769 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC(N)=O)cn1 ZINC001089722778 767124392 /nfs/dbraw/zinc/12/43/92/767124392.db2.gz CYNGHANFFFXAGI-HNNXBMFYSA-N 1 2 328.416 0.769 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1occ3c1CCOC3)CO2 ZINC001053883065 767169383 /nfs/dbraw/zinc/16/93/83/767169383.db2.gz NMXRAIDAYADTTN-CQSZACIVSA-N 1 2 330.384 0.949 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@]1(C)CC[N@H+](CCS(C)(=O)=O)C1 ZINC001046374412 767178912 /nfs/dbraw/zinc/17/89/12/767178912.db2.gz OWAXEKKQDOFBCM-MRXNPFEDSA-N 1 2 339.461 0.913 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@]1(C)CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001046374412 767178913 /nfs/dbraw/zinc/17/89/13/767178913.db2.gz OWAXEKKQDOFBCM-MRXNPFEDSA-N 1 2 339.461 0.913 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc3c(c1)ncn3C)CO2 ZINC001053890263 767241508 /nfs/dbraw/zinc/24/15/08/767241508.db2.gz FECBXQOYOYHFNZ-CQSZACIVSA-N 1 2 339.399 0.565 20 30 ECEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1OC ZINC001212338065 767255809 /nfs/dbraw/zinc/25/58/09/767255809.db2.gz AESDGWSOHFQXBR-FRRDWIJNSA-N 1 2 337.420 0.209 20 30 ECEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1OC ZINC001212338065 767255811 /nfs/dbraw/zinc/25/58/11/767255811.db2.gz AESDGWSOHFQXBR-FRRDWIJNSA-N 1 2 337.420 0.209 20 30 ECEDLO N#Cc1nccnc1N1CC=C(CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001127629000 767290401 /nfs/dbraw/zinc/29/04/01/767290401.db2.gz YBXOUTSFSHAEEQ-UHFFFAOYSA-N 1 2 337.387 0.957 20 30 ECEDLO C=C1CCC(C(=O)N[C@@]2(C)CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)CC1 ZINC001046595178 767348834 /nfs/dbraw/zinc/34/88/34/767348834.db2.gz XSZCBPFLZPSCRW-KRWDZBQOSA-N 1 2 333.436 0.935 20 30 ECEDLO C=C1CCC(C(=O)N[C@@]2(C)CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)CC1 ZINC001046595178 767348839 /nfs/dbraw/zinc/34/88/39/767348839.db2.gz XSZCBPFLZPSCRW-KRWDZBQOSA-N 1 2 333.436 0.935 20 30 ECEDLO Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)CCc2c[nH]c[nH+]2)n1 ZINC001106150263 767364659 /nfs/dbraw/zinc/36/46/59/767364659.db2.gz PETGRZDNZRLDMM-CQSZACIVSA-N 1 2 328.376 0.507 20 30 ECEDLO Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)CCc2c[nH+]c[nH]2)n1 ZINC001106150263 767364663 /nfs/dbraw/zinc/36/46/63/767364663.db2.gz PETGRZDNZRLDMM-CQSZACIVSA-N 1 2 328.376 0.507 20 30 ECEDLO C#CCN1CC2(C1)C[C@H](NC(=O)C1([NH+]3CCOCC3)CCCC1)CO2 ZINC001053944752 767419914 /nfs/dbraw/zinc/41/99/14/767419914.db2.gz GUPSKZLHKKFZFX-INIZCTEOSA-N 1 2 347.459 0.224 20 30 ECEDLO Cc1nc(NC[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)ccc1C#N ZINC001106157324 767420585 /nfs/dbraw/zinc/42/05/85/767420585.db2.gz CNTRCDUNTSJOQL-BFHYXJOUSA-N 1 2 340.387 0.678 20 30 ECEDLO Cc1nc(NC[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)ccc1C#N ZINC001106157324 767420593 /nfs/dbraw/zinc/42/05/93/767420593.db2.gz CNTRCDUNTSJOQL-BFHYXJOUSA-N 1 2 340.387 0.678 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cn1nnnc1C(C)C)CO2 ZINC001053949407 767432011 /nfs/dbraw/zinc/43/20/11/767432011.db2.gz GNGQJMMOUFKXBW-ZDUSSCGKSA-N 1 2 334.424 0.332 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)N1CCOCC1)CO2 ZINC001053956423 767446739 /nfs/dbraw/zinc/44/67/39/767446739.db2.gz GBWIKFXHODADRI-OAHLLOKOSA-N 1 2 335.448 0.080 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(CNC(C)=O)o1)CO2 ZINC001053958803 767452998 /nfs/dbraw/zinc/45/29/98/767452998.db2.gz MBLQOTGGCIYECA-CQSZACIVSA-N 1 2 345.399 0.512 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060463456 767485704 /nfs/dbraw/zinc/48/57/04/767485704.db2.gz WANVWLNHEKZVMZ-DYVFJYSZSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCN(C(=O)CC)C1)CO2 ZINC001053975305 767504388 /nfs/dbraw/zinc/50/43/88/767504388.db2.gz FIICFMVQHZQURQ-HUUCEWRRSA-N 1 2 335.448 0.781 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn([C@H]3CCOC3)nn1)CO2 ZINC001053977473 767511853 /nfs/dbraw/zinc/51/18/53/767511853.db2.gz VVIOAXGZTIUZFX-KGLIPLIRSA-N 1 2 347.419 0.389 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCCN(C)C1=O)CO2 ZINC001053981955 767524548 /nfs/dbraw/zinc/52/45/48/767524548.db2.gz ZGIHOOOLPURESV-HUUCEWRRSA-N 1 2 335.448 0.781 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)CN1CCCCCC1=O)CO2 ZINC001054001695 767566087 /nfs/dbraw/zinc/56/60/87/767566087.db2.gz HLKNADJRHRZKRL-HNNXBMFYSA-N 1 2 333.432 0.372 20 30 ECEDLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001017102770 767586463 /nfs/dbraw/zinc/58/64/63/767586463.db2.gz BMUFFHDDQCHCGM-UHFFFAOYSA-N 1 2 326.360 0.571 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1c(OC)ncnc1OC)CO2 ZINC001054021657 767616120 /nfs/dbraw/zinc/61/61/20/767616120.db2.gz QSEMLKPISRBQCK-LBPRGKRZSA-N 1 2 346.387 0.090 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001054042136 767641844 /nfs/dbraw/zinc/64/18/44/767641844.db2.gz PBKOBEYVAPMRFB-SJORKVTESA-N 1 2 325.412 0.641 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001054042136 767641850 /nfs/dbraw/zinc/64/18/50/767641850.db2.gz PBKOBEYVAPMRFB-SJORKVTESA-N 1 2 325.412 0.641 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCN(C)C1=O ZINC001054049517 767648983 /nfs/dbraw/zinc/64/89/83/767648983.db2.gz AOISMTOBPUQXMT-SJORKVTESA-N 1 2 325.412 0.641 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCN(C)C1=O ZINC001054049517 767648987 /nfs/dbraw/zinc/64/89/87/767648987.db2.gz AOISMTOBPUQXMT-SJORKVTESA-N 1 2 325.412 0.641 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc(C(N)=O)nc1 ZINC001054061402 767659637 /nfs/dbraw/zinc/65/96/37/767659637.db2.gz ZBCWOTMVORSBQE-QGZVFWFLSA-N 1 2 348.406 0.970 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc(C(N)=O)nc1 ZINC001054061402 767659640 /nfs/dbraw/zinc/65/96/40/767659640.db2.gz ZBCWOTMVORSBQE-QGZVFWFLSA-N 1 2 348.406 0.970 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2CCOCC2)C1=O ZINC001017292697 767812766 /nfs/dbraw/zinc/81/27/66/767812766.db2.gz SFVVMZSFHUFYRS-BBWFWOEESA-N 1 2 347.459 0.875 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2CCOCC2)C1=O ZINC001017292697 767812773 /nfs/dbraw/zinc/81/27/73/767812773.db2.gz SFVVMZSFHUFYRS-BBWFWOEESA-N 1 2 347.459 0.875 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001046545377 767815375 /nfs/dbraw/zinc/81/53/75/767815375.db2.gz JEVAUEISWYKEBY-RISCZKNCSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001046545377 767815382 /nfs/dbraw/zinc/81/53/82/767815382.db2.gz JEVAUEISWYKEBY-RISCZKNCSA-N 1 2 344.253 0.954 20 30 ECEDLO N#Cc1cnc(N[C@@H]2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]23)cn1 ZINC001060541411 768656778 /nfs/dbraw/zinc/65/67/78/768656778.db2.gz OFILZNCELYJGCR-KWCYVHTRSA-N 1 2 337.387 0.963 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001055223253 768681782 /nfs/dbraw/zinc/68/17/82/768681782.db2.gz VWMZADRIHRCNEM-SOUVJXGZSA-N 1 2 346.431 0.850 20 30 ECEDLO CC(C)(C)C#CC(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001055334601 768790626 /nfs/dbraw/zinc/79/06/26/768790626.db2.gz VNMCKDYEQXMMCG-OKILXGFUSA-N 1 2 328.416 0.919 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1 ZINC001055370727 768822272 /nfs/dbraw/zinc/82/22/72/768822272.db2.gz MDNPJZHCGJIZPG-BNOWGMLFSA-N 1 2 337.387 0.848 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@@H]3CCCOC3)C2)CC1 ZINC001018353812 769168683 /nfs/dbraw/zinc/16/86/83/769168683.db2.gz GIQFEUQZUSPXQM-IAGOWNOFSA-N 1 2 349.475 0.982 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cn[nH]c3)C2)CC1 ZINC001018359149 769188040 /nfs/dbraw/zinc/18/80/40/769188040.db2.gz ZTXFTIAGMIJYNM-CQSZACIVSA-N 1 2 331.420 0.592 20 30 ECEDLO CC(C)(C)C#CC(=O)NC1CC[NH+](CCNC(=O)c2cn[nH]n2)CC1 ZINC001055597356 769219229 /nfs/dbraw/zinc/21/92/29/769219229.db2.gz SBRGKWVREKCAJV-UHFFFAOYSA-N 1 2 346.435 0.165 20 30 ECEDLO CC(C)(C)C#CC(=O)NC1CC[NH+](CCNC(=O)c2cnn[nH]2)CC1 ZINC001055597356 769219237 /nfs/dbraw/zinc/21/92/37/769219237.db2.gz SBRGKWVREKCAJV-UHFFFAOYSA-N 1 2 346.435 0.165 20 30 ECEDLO C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001018441855 769356291 /nfs/dbraw/zinc/35/62/91/769356291.db2.gz QMAXKMMOWFBPKJ-DGCLKSJQSA-N 1 2 340.387 0.961 20 30 ECEDLO COCc1noc([C@@H](C)[NH2+][C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001018681423 769753714 /nfs/dbraw/zinc/75/37/14/769753714.db2.gz CVOLVPVNNUNUAB-PWSUYJOCSA-N 1 2 344.375 0.981 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccnn3C)[C@H]2C)nn1 ZINC000993949554 769931302 /nfs/dbraw/zinc/93/13/02/769931302.db2.gz KLDVZSGBLKMFBV-DZGCQCFKSA-N 1 2 343.435 0.981 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccnn3C)[C@H]2C)nn1 ZINC000993949554 769931309 /nfs/dbraw/zinc/93/13/09/769931309.db2.gz KLDVZSGBLKMFBV-DZGCQCFKSA-N 1 2 343.435 0.981 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]([NH2+]Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001018827545 770019054 /nfs/dbraw/zinc/01/90/54/770019054.db2.gz VEQAFUUIDIHGHV-ZDUSSCGKSA-N 1 2 325.372 0.127 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CC3(C2)CCN(C(=O)Cc2c[nH+]c[nH]2)C3)c1 ZINC001018914111 770264979 /nfs/dbraw/zinc/26/49/79/770264979.db2.gz WOIQNYDKBSRPQL-UHFFFAOYSA-N 1 2 338.371 0.527 20 30 ECEDLO CC(C)C#CC(=O)N[C@@]1(CO)CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001055935565 770281519 /nfs/dbraw/zinc/28/15/19/770281519.db2.gz WSOWAXRKIHBGJS-SFHVURJKSA-N 1 2 346.431 0.402 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)[C@@H]1C ZINC000994207817 770307562 /nfs/dbraw/zinc/30/75/62/770307562.db2.gz TWKXSCWFIYKKQI-CHWSQXEVSA-N 1 2 332.404 0.714 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)[C@@H]1C ZINC000994207817 770307572 /nfs/dbraw/zinc/30/75/72/770307572.db2.gz TWKXSCWFIYKKQI-CHWSQXEVSA-N 1 2 332.404 0.714 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cnnn3C)[C@H]2C)cn1 ZINC000994236872 770370441 /nfs/dbraw/zinc/37/04/41/770370441.db2.gz DBXUKJICKMYCRA-GUYCJALGSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cnnn3C)[C@H]2C)cn1 ZINC000994236872 770370452 /nfs/dbraw/zinc/37/04/52/770370452.db2.gz DBXUKJICKMYCRA-GUYCJALGSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccccc1CC(=O)NC1C[NH+](Cc2ccn(C)c(=O)c2)C1 ZINC001031312581 770416215 /nfs/dbraw/zinc/41/62/15/770416215.db2.gz MBLPZMCWVZXIIH-UHFFFAOYSA-N 1 2 335.407 0.910 20 30 ECEDLO N#Cc1cnc(N2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC2)cn1 ZINC001056011664 770545988 /nfs/dbraw/zinc/54/59/88/770545988.db2.gz IKHFIBNRNSSKGA-CYBMUJFWSA-N 1 2 337.387 0.840 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001019010514 770561699 /nfs/dbraw/zinc/56/16/99/770561699.db2.gz UPWSJMNYYSOFSB-UHFFFAOYSA-N 1 2 340.427 0.827 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@H]2O)CC1 ZINC001083751165 770680680 /nfs/dbraw/zinc/68/06/80/770680680.db2.gz JCKCJRHMRZJXEB-CVEARBPZSA-N 1 2 335.448 0.517 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@H]2O)CC1 ZINC001083751165 770680686 /nfs/dbraw/zinc/68/06/86/770680686.db2.gz JCKCJRHMRZJXEB-CVEARBPZSA-N 1 2 335.448 0.517 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC[C@@](CO)(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001056082575 770788345 /nfs/dbraw/zinc/78/83/45/770788345.db2.gz FMCIGFCDAKIYSY-QGZVFWFLSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2nc(CC(=O)NC)no2)C1 ZINC001019232077 771035201 /nfs/dbraw/zinc/03/52/01/771035201.db2.gz HPNCQHDSRGYKAN-LBPRGKRZSA-N 1 2 349.435 0.651 20 30 ECEDLO N#CCSCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056246677 771035550 /nfs/dbraw/zinc/03/55/50/771035550.db2.gz GNURWMAIIOCJOK-CHWSQXEVSA-N 1 2 347.444 0.801 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001019279238 771093101 /nfs/dbraw/zinc/09/31/01/771093101.db2.gz STDUQZVNCKECMI-CYBMUJFWSA-N 1 2 329.404 0.573 20 30 ECEDLO C[C@H](C[C@H](C)NC(=O)CCn1cc[nH+]c1)Nc1ccnc(C#N)n1 ZINC001089444443 771202690 /nfs/dbraw/zinc/20/26/90/771202690.db2.gz PPBGFHCLYCLDRG-OLZOCXBDSA-N 1 2 327.392 0.752 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001019363184 771205964 /nfs/dbraw/zinc/20/59/64/771205964.db2.gz NMUBHBRRDDWLRK-LBPRGKRZSA-N 1 2 329.404 0.908 20 30 ECEDLO CC(C)C#CC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001056390749 771214553 /nfs/dbraw/zinc/21/45/53/771214553.db2.gz WGAJKOXODWUBOU-BRWVUGGUSA-N 1 2 347.459 0.568 20 30 ECEDLO CC(C)C#CC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001056390749 771214555 /nfs/dbraw/zinc/21/45/55/771214555.db2.gz WGAJKOXODWUBOU-BRWVUGGUSA-N 1 2 347.459 0.568 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2[C@H]3CN(c4cc[nH+]c(C)n4)C[C@H]32)nn1 ZINC001056435251 771262424 /nfs/dbraw/zinc/26/24/24/771262424.db2.gz UCBMHSAEOMVWBS-JYAVWHMHSA-N 1 2 325.376 0.427 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001056455286 771285889 /nfs/dbraw/zinc/28/58/89/771285889.db2.gz BJWWXGFVAFLYON-HOTGVXAUSA-N 1 2 344.415 0.515 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056572673 771393647 /nfs/dbraw/zinc/39/36/47/771393647.db2.gz MPKLRWVUFTXJRS-DAYGRLMNSA-N 1 2 346.431 0.871 20 30 ECEDLO N#Cc1cnc(N2CCCO[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)cn1 ZINC001089558602 771483255 /nfs/dbraw/zinc/48/32/55/771483255.db2.gz RKIMEVCXWWAUMH-AWEZNQCLSA-N 1 2 341.375 0.026 20 30 ECEDLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CCCC2)C[C@H]1NC(=O)C#CC(C)C ZINC001212244318 771503167 /nfs/dbraw/zinc/50/31/67/771503167.db2.gz ORPFZSPFLLIJNQ-DJIMGWMZSA-N 1 2 349.475 0.909 20 30 ECEDLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CCCC2)C[C@H]1NC(=O)C#CC(C)C ZINC001212244318 771503173 /nfs/dbraw/zinc/50/31/73/771503173.db2.gz ORPFZSPFLLIJNQ-DJIMGWMZSA-N 1 2 349.475 0.909 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1CCC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001056681928 771509130 /nfs/dbraw/zinc/50/91/30/771509130.db2.gz YAAFTQODRPVKOZ-SOUVJXGZSA-N 1 2 346.431 0.993 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001056681493 771509139 /nfs/dbraw/zinc/50/91/39/771509139.db2.gz KZLHHDQBEJVAJJ-OWCLPIDISA-N 1 2 346.431 0.924 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@@H](Nc2cncc(C#N)n2)C1 ZINC001056682081 771509748 /nfs/dbraw/zinc/50/97/48/771509748.db2.gz FFXIEYUTIKVAEV-GFCCVEGCSA-N 1 2 325.376 0.727 20 30 ECEDLO N#Cc1nccc(N[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)n1 ZINC001056727281 771562040 /nfs/dbraw/zinc/56/20/40/771562040.db2.gz SSRQIPNCFOGTAD-QWHCGFSZSA-N 1 2 337.387 0.242 20 30 ECEDLO Cc1cc(C#N)nc(N(C)[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001056956173 771863534 /nfs/dbraw/zinc/86/35/34/771863534.db2.gz TUHDARPHPJWRND-ZDUSSCGKSA-N 1 2 325.376 0.660 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]2OCCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC001019881269 771953295 /nfs/dbraw/zinc/95/32/95/771953295.db2.gz ASZWALSVCHHIJK-HOTGVXAUSA-N 1 2 342.399 0.194 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2OCCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC001019881271 771953480 /nfs/dbraw/zinc/95/34/80/771953480.db2.gz ASZWALSVCHHIJK-JKSUJKDBSA-N 1 2 342.399 0.194 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC001019907430 772006866 /nfs/dbraw/zinc/00/68/66/772006866.db2.gz CRECSVDOJOBAJX-GJZGRUSLSA-N 1 2 346.431 0.993 20 30 ECEDLO CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001057074773 772042055 /nfs/dbraw/zinc/04/20/55/772042055.db2.gz RJRMWXWMIWOBPH-CYBMUJFWSA-N 1 2 339.403 0.752 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2nnc(CC)[nH]2)C1 ZINC001020250336 772350110 /nfs/dbraw/zinc/35/01/10/772350110.db2.gz CCWATJOFDWSTNJ-AJNGGQMLSA-N 1 2 344.463 0.763 20 30 ECEDLO C#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001057446550 772623496 /nfs/dbraw/zinc/62/34/96/772623496.db2.gz FHCGJOUAMMJLTC-HNNXBMFYSA-N 1 2 346.431 0.186 20 30 ECEDLO C#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001057446767 772624147 /nfs/dbraw/zinc/62/41/47/772624147.db2.gz IJBGNWDUHYGIHX-HNNXBMFYSA-N 1 2 346.431 0.186 20 30 ECEDLO C#CCCCCC(=O)NCCN(CCO)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001057609963 772811072 /nfs/dbraw/zinc/81/10/72/772811072.db2.gz WWNBLJPSHAFRQN-MRXNPFEDSA-N 1 2 348.447 0.965 20 30 ECEDLO CC#CCCCC(=O)NCCN(CCO)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001057612719 772815596 /nfs/dbraw/zinc/81/55/96/772815596.db2.gz WKFVXELSFIROCE-INIZCTEOSA-N 1 2 348.447 0.965 20 30 ECEDLO Cc1c[nH+]c2cc(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)ccn12 ZINC001057666272 772889373 /nfs/dbraw/zinc/88/93/73/772889373.db2.gz QCGHEJJZUDHTRH-LBPRGKRZSA-N 1 2 343.387 0.353 20 30 ECEDLO C=C(C)CCC(=O)N(CCO)CCNC(=O)CCc1[nH+]ccn1C ZINC001057804398 773002420 /nfs/dbraw/zinc/00/24/20/773002420.db2.gz GSPZRVRGZJFFFI-UHFFFAOYSA-N 1 2 336.436 0.646 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC1CCN(c2cncc(C#N)n2)CC1 ZINC001057888276 773136561 /nfs/dbraw/zinc/13/65/61/773136561.db2.gz IOLQEEMHYBIPRA-UHFFFAOYSA-N 1 2 325.376 0.708 20 30 ECEDLO C=CCn1cccc1C(=O)N(CCO)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001057902206 773160738 /nfs/dbraw/zinc/16/07/38/773160738.db2.gz BXLHXPIMGMSIIZ-UHFFFAOYSA-N 1 2 345.403 0.191 20 30 ECEDLO C#CCCCCC(=O)NCCN(CCO)C(=O)CCCn1cc[nH+]c1 ZINC001057984335 773339954 /nfs/dbraw/zinc/33/99/54/773339954.db2.gz SLRBEVQILSNPOS-UHFFFAOYSA-N 1 2 348.447 0.794 20 30 ECEDLO C[C@@H](Nc1ccnc(C#N)n1)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001058025353 773382800 /nfs/dbraw/zinc/38/28/00/773382800.db2.gz AJNJTLIDRZVLSY-TZMCWYRMSA-N 1 2 339.403 0.917 20 30 ECEDLO C[C@H](C#N)C(=O)NCCN(CCO)C(=O)c1cccc2[nH+]ccn21 ZINC001058081292 773494485 /nfs/dbraw/zinc/49/44/85/773494485.db2.gz BXVULGXJCIFMKT-GFCCVEGCSA-N 1 2 329.360 0.045 20 30 ECEDLO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001058160889 773667594 /nfs/dbraw/zinc/66/75/94/773667594.db2.gz OPBSMNKFQNFTAM-UHFFFAOYSA-N 1 2 336.436 0.837 20 30 ECEDLO C=CCC1(C(=O)NCCN(CCO)C(=O)CCn2cc[nH+]c2)CCC1 ZINC001058200377 773757654 /nfs/dbraw/zinc/75/76/54/773757654.db2.gz CPDXCGJDZFCLJK-UHFFFAOYSA-N 1 2 348.447 0.957 20 30 ECEDLO C=CCC(CC=C)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039805554 783128596 /nfs/dbraw/zinc/12/85/96/783128596.db2.gz CFLHGWBPHGASJE-SFHVURJKSA-N 1 2 346.431 0.800 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001040628245 783131715 /nfs/dbraw/zinc/13/17/15/783131715.db2.gz ZAPJDUVORAYQLU-KSSFIOAISA-N 1 2 348.447 0.645 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)Cc1c[nH+]cn1C ZINC001058287944 773923107 /nfs/dbraw/zinc/92/31/07/773923107.db2.gz JYDIGONBTJYXAK-UHFFFAOYSA-N 1 2 336.436 0.502 20 30 ECEDLO C#CCCCCCC(=O)N(CCO)CCNC(=O)Cc1c[nH+]cn1C ZINC001058307845 773945677 /nfs/dbraw/zinc/94/56/77/773945677.db2.gz ZJAZKPWEOZMQPX-UHFFFAOYSA-N 1 2 348.447 0.483 20 30 ECEDLO C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CN1c1cncc(C#N)n1 ZINC001039817429 783145750 /nfs/dbraw/zinc/14/57/50/783145750.db2.gz ALVRPSASCZJMPB-NEPJUHHUSA-N 1 2 325.376 0.788 20 30 ECEDLO C=CC(C)(C)CC(=O)NC[C@@]1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039820166 783150421 /nfs/dbraw/zinc/15/04/21/783150421.db2.gz ZZRCDJJPMAEWIF-KRWDZBQOSA-N 1 2 334.420 0.634 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCc4[nH+]ccn4C3)C2)nn1 ZINC001058480858 774270606 /nfs/dbraw/zinc/27/06/06/774270606.db2.gz CPQSCPDRBRFLKL-GXTWGEPZSA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)nn1 ZINC001058481461 774272895 /nfs/dbraw/zinc/27/28/95/774272895.db2.gz RZHXTSISVRCLPO-TZMCWYRMSA-N 1 2 337.387 0.502 20 30 ECEDLO C[C@H](c1nnnn1C)[NH+]1CCC2(CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001040643264 783166261 /nfs/dbraw/zinc/16/62/61/783166261.db2.gz HCGZVMHKDUNJIA-QWHCGFSZSA-N 1 2 331.424 0.745 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CCN(c3cc[nH+]c(C)n3)C2)nn1 ZINC001058567750 774451153 /nfs/dbraw/zinc/45/11/53/774451153.db2.gz FNHRNSGIRAKTOA-ZDUSSCGKSA-N 1 2 327.392 0.961 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001044984587 774799442 /nfs/dbraw/zinc/79/94/42/774799442.db2.gz BRBZCPQZPFPFCG-STQMWFEESA-N 1 2 334.420 0.490 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001044984587 774799446 /nfs/dbraw/zinc/79/94/46/774799446.db2.gz BRBZCPQZPFPFCG-STQMWFEESA-N 1 2 334.420 0.490 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]32)nn1 ZINC001045250067 775231410 /nfs/dbraw/zinc/23/14/10/775231410.db2.gz RTDOBKDXOARFMK-WFASDCNBSA-N 1 2 337.387 0.741 20 30 ECEDLO Cn1ncc(C[NH+]2CCC(C)(NC(=O)c3ccc(C#N)[nH]3)CC2)n1 ZINC001045406567 775548164 /nfs/dbraw/zinc/54/81/64/775548164.db2.gz FABQJYZRMKMSDY-UHFFFAOYSA-N 1 2 327.392 0.799 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001044137061 775766562 /nfs/dbraw/zinc/76/65/62/775766562.db2.gz CEBLTVNOGQXANF-INIZCTEOSA-N 1 2 334.420 0.565 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)CCn3cc[nH+]c3)C2)C1 ZINC001044137821 775770428 /nfs/dbraw/zinc/77/04/28/775770428.db2.gz QXUNJRQONLXCBH-UHFFFAOYSA-N 1 2 332.404 0.319 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCC(C)(NC(=O)c3[nH]ncc3F)CC2)C1=O ZINC001045547320 775775452 /nfs/dbraw/zinc/77/54/52/775775452.db2.gz IFXMOHSHGIKOQL-CYBMUJFWSA-N 1 2 349.410 0.920 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3cnccc3n2)[C@@H](n2ccnn2)C1 ZINC001070039801 790418065 /nfs/dbraw/zinc/41/80/65/790418065.db2.gz VMQPQCWUQWDAQC-SJORKVTESA-N 1 2 347.382 0.510 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3cnccc3n2)[C@@H](n2ccnn2)C1 ZINC001070039801 790418068 /nfs/dbraw/zinc/41/80/68/790418068.db2.gz VMQPQCWUQWDAQC-SJORKVTESA-N 1 2 347.382 0.510 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccn(C(C)C)n2)[C@@H](n2ccnn2)C1 ZINC001070043979 790433660 /nfs/dbraw/zinc/43/36/60/790433660.db2.gz TWAASYHCWGWOHF-CVEARBPZSA-N 1 2 341.419 0.734 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccn(C(C)C)n2)[C@@H](n2ccnn2)C1 ZINC001070043979 790433672 /nfs/dbraw/zinc/43/36/72/790433672.db2.gz TWAASYHCWGWOHF-CVEARBPZSA-N 1 2 341.419 0.734 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001044672431 776615993 /nfs/dbraw/zinc/61/59/93/776615993.db2.gz CMUKDBNAGMDUIL-ZIAGYGMSSA-N 1 2 348.447 0.500 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001044674196 776619197 /nfs/dbraw/zinc/61/91/97/776619197.db2.gz XHKSRAFKSVXMNO-AWEZNQCLSA-N 1 2 348.447 0.645 20 30 ECEDLO C#CCOCCC(=O)N1CC(N(CC)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001079698825 776717124 /nfs/dbraw/zinc/71/71/24/776717124.db2.gz RCXYPVTZGXSSHS-UHFFFAOYSA-N 1 2 332.404 0.442 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnn(CC)c2C)[C@@H](n2ccnn2)C1 ZINC001070061387 790479442 /nfs/dbraw/zinc/47/94/42/790479442.db2.gz CLQNBRAPETTZIR-CVEARBPZSA-N 1 2 341.419 0.482 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC)c2C)[C@@H](n2ccnn2)C1 ZINC001070061387 790479446 /nfs/dbraw/zinc/47/94/46/790479446.db2.gz CLQNBRAPETTZIR-CVEARBPZSA-N 1 2 341.419 0.482 20 30 ECEDLO CCN(C(=O)C#CC1CC1)C1CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001079736998 776779971 /nfs/dbraw/zinc/77/99/71/776779971.db2.gz SHTLHAWFBSELCS-UHFFFAOYSA-N 1 2 328.416 0.825 20 30 ECEDLO C#CCOCCC(=O)N(CC)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001079772478 776840657 /nfs/dbraw/zinc/84/06/57/776840657.db2.gz VTZZRYZOOPVHRP-UHFFFAOYSA-N 1 2 332.404 0.442 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001079777404 776854307 /nfs/dbraw/zinc/85/43/07/776854307.db2.gz ZBSNTQICJKAOOH-KBPBESRZSA-N 1 2 346.431 0.686 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001079777404 776854316 /nfs/dbraw/zinc/85/43/16/776854316.db2.gz ZBSNTQICJKAOOH-KBPBESRZSA-N 1 2 346.431 0.686 20 30 ECEDLO C=CCCC(=O)NC[C@H]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)O1 ZINC001068536986 790507679 /nfs/dbraw/zinc/50/76/79/790507679.db2.gz BVCZSPUUWJEOEY-OAHLLOKOSA-N 1 2 346.431 0.805 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2cc(C)ccc2F)[C@@H](n2ccnn2)C1 ZINC001070080756 790535510 /nfs/dbraw/zinc/53/55/10/790535510.db2.gz XGAQKZAIGXWPHI-SJORKVTESA-N 1 2 341.390 0.943 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2cc(C)ccc2F)[C@@H](n2ccnn2)C1 ZINC001070080756 790535519 /nfs/dbraw/zinc/53/55/19/790535519.db2.gz XGAQKZAIGXWPHI-SJORKVTESA-N 1 2 341.390 0.943 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2Cc3cccnc3C2)[C@@H](n2ccnn2)C1 ZINC001070084524 790548009 /nfs/dbraw/zinc/54/80/09/790548009.db2.gz HUJOFHUMPHFQEZ-OIISXLGYSA-N 1 2 336.399 0.063 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2Cc3cccnc3C2)[C@@H](n2ccnn2)C1 ZINC001070084524 790548017 /nfs/dbraw/zinc/54/80/17/790548017.db2.gz HUJOFHUMPHFQEZ-OIISXLGYSA-N 1 2 336.399 0.063 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001080259701 777620231 /nfs/dbraw/zinc/62/02/31/777620231.db2.gz JBYJWQPXFGKFPJ-XFBWCDHKSA-N 1 2 344.390 0.770 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001080259701 777620235 /nfs/dbraw/zinc/62/02/35/777620235.db2.gz JBYJWQPXFGKFPJ-XFBWCDHKSA-N 1 2 344.390 0.770 20 30 ECEDLO C#CCCCC(=O)NC[C@@H]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)O1 ZINC001068562534 790573123 /nfs/dbraw/zinc/57/31/23/790573123.db2.gz GMMISMMCUFLUHD-HNNXBMFYSA-N 1 2 344.415 0.563 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)NCC1(O)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001043202426 777946770 /nfs/dbraw/zinc/94/67/70/777946770.db2.gz JKOYFDQPLRSARA-UHFFFAOYSA-N 1 2 340.811 0.420 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 ZINC001043225985 778002999 /nfs/dbraw/zinc/00/29/99/778002999.db2.gz KYPSTQFYATXAPY-ZDUSSCGKSA-N 1 2 346.431 0.327 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 ZINC001043225985 778003012 /nfs/dbraw/zinc/00/30/12/778003012.db2.gz KYPSTQFYATXAPY-ZDUSSCGKSA-N 1 2 346.431 0.327 20 30 ECEDLO C=C(C)CCC(=O)NCC1(O)CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001043320441 778153565 /nfs/dbraw/zinc/15/35/65/778153565.db2.gz ULCQKFXUPYGGLZ-CQSZACIVSA-N 1 2 334.420 0.880 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001043526319 778469788 /nfs/dbraw/zinc/46/97/88/778469788.db2.gz VWIGAJHNIFYCPD-CHWSQXEVSA-N 1 2 334.420 0.490 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001043526319 778469795 /nfs/dbraw/zinc/46/97/95/778469795.db2.gz VWIGAJHNIFYCPD-CHWSQXEVSA-N 1 2 334.420 0.490 20 30 ECEDLO C=CCC1(C(=O)N2CC(O)(CNC(=O)CCc3c[nH]c[nH+]3)C2)CCC1 ZINC001043526373 778470807 /nfs/dbraw/zinc/47/08/07/778470807.db2.gz XGMNZNXKQHLAHZ-UHFFFAOYSA-N 1 2 346.431 0.778 20 30 ECEDLO C=CCC1(C(=O)N2CC(O)(CNC(=O)CCc3c[nH+]c[nH]3)C2)CCC1 ZINC001043526373 778470813 /nfs/dbraw/zinc/47/08/13/778470813.db2.gz XGMNZNXKQHLAHZ-UHFFFAOYSA-N 1 2 346.431 0.778 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(C#N)n2)C1 ZINC001043556029 778509908 /nfs/dbraw/zinc/50/99/08/778509908.db2.gz KXWHSLVQXVPPOY-OUCADQQQSA-N 1 2 339.403 0.631 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(C#N)n2)C1 ZINC001043556029 778509915 /nfs/dbraw/zinc/50/99/15/778509915.db2.gz KXWHSLVQXVPPOY-OUCADQQQSA-N 1 2 339.403 0.631 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C2(C)CC=CC2)C1 ZINC001043646227 778659307 /nfs/dbraw/zinc/65/93/07/778659307.db2.gz AYZAEQUSBZKKBO-HNNXBMFYSA-N 1 2 345.443 0.130 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C2(C)CC=CC2)C1 ZINC001043646227 778659309 /nfs/dbraw/zinc/65/93/09/778659309.db2.gz AYZAEQUSBZKKBO-HNNXBMFYSA-N 1 2 345.443 0.130 20 30 ECEDLO O=C(C#CC1CC1)NC1(CNC(=O)CCc2[nH]cc[nH+]2)CCOCC1 ZINC001070111189 790640875 /nfs/dbraw/zinc/64/08/75/790640875.db2.gz YBTVZHACJGTKPX-UHFFFAOYSA-N 1 2 344.415 0.537 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@]2(C)C=CCC2)C1 ZINC001043651592 778669613 /nfs/dbraw/zinc/66/96/13/778669613.db2.gz JPCSTXKEJUQHAW-YJBOKZPZSA-N 1 2 345.443 0.130 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@]2(C)C=CCC2)C1 ZINC001043651592 778669617 /nfs/dbraw/zinc/66/96/17/778669617.db2.gz JPCSTXKEJUQHAW-YJBOKZPZSA-N 1 2 345.443 0.130 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001043670650 778693734 /nfs/dbraw/zinc/69/37/34/778693734.db2.gz ORQVVRIOJOKHOJ-UHFFFAOYSA-N 1 2 348.447 0.828 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001043698656 778740703 /nfs/dbraw/zinc/74/07/03/778740703.db2.gz JMMMSCPLFFLBBF-QGZVFWFLSA-N 1 2 348.447 0.955 20 30 ECEDLO C=CCCC(=O)N1CC(O)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001043762193 778827033 /nfs/dbraw/zinc/82/70/33/778827033.db2.gz FTEQHNQKPPDEJK-UHFFFAOYSA-N 1 2 328.372 0.832 20 30 ECEDLO C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001070129458 790707168 /nfs/dbraw/zinc/70/71/68/790707168.db2.gz MJXZGQKFOHTXRV-STQMWFEESA-N 1 2 347.419 0.530 20 30 ECEDLO C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCOCC1 ZINC001070129458 790707181 /nfs/dbraw/zinc/70/71/81/790707181.db2.gz MJXZGQKFOHTXRV-STQMWFEESA-N 1 2 347.419 0.530 20 30 ECEDLO Cn1nnc(C[NH2+][C@@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C23CCC3)n1 ZINC001078588888 780179006 /nfs/dbraw/zinc/17/90/06/780179006.db2.gz IMLZHCBYQDEDIR-OLZOCXBDSA-N 1 2 340.391 0.241 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H](C)CCNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001078754514 780443236 /nfs/dbraw/zinc/44/32/36/780443236.db2.gz ZBKZOAXQLMYRPG-LBPRGKRZSA-N 1 2 325.372 0.653 20 30 ECEDLO C#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001042800949 780844781 /nfs/dbraw/zinc/84/47/81/780844781.db2.gz CJZFBOMJLCBAEQ-CYBMUJFWSA-N 1 2 344.415 0.323 20 30 ECEDLO N#CCN1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079268223 780944667 /nfs/dbraw/zinc/94/46/67/780944667.db2.gz ULPKTEJAFKBJRQ-UONOGXRCSA-N 1 2 329.404 0.415 20 30 ECEDLO C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)Cn2cc[nH+]c2)cn1 ZINC001077633415 781390044 /nfs/dbraw/zinc/39/00/44/781390044.db2.gz PJPFXNFOSGXXBY-ZDUSSCGKSA-N 1 2 325.372 0.584 20 30 ECEDLO C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC001077633348 781390690 /nfs/dbraw/zinc/39/06/90/781390690.db2.gz MSZNHAWWCNDKQZ-LBPRGKRZSA-N 1 2 325.372 0.653 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]2O)C1 ZINC001077645598 781417970 /nfs/dbraw/zinc/41/79/70/781417970.db2.gz OFRKOQROVJAUGW-RBSFLKMASA-N 1 2 335.448 0.513 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]2O)C1 ZINC001077645598 781417971 /nfs/dbraw/zinc/41/79/71/781417971.db2.gz OFRKOQROVJAUGW-RBSFLKMASA-N 1 2 335.448 0.513 20 30 ECEDLO N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)nc1 ZINC001041426058 781482520 /nfs/dbraw/zinc/48/25/20/781482520.db2.gz MTDPMIJANPFIFW-HZPDHXFCSA-N 1 2 348.366 0.809 20 30 ECEDLO CN(c1cnc(C#N)cn1)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001068683341 790892858 /nfs/dbraw/zinc/89/28/58/790892858.db2.gz NCXWDCMKNUBCMJ-UHFFFAOYSA-N 1 2 325.376 0.672 20 30 ECEDLO N#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)C2)C1 ZINC001041504550 781650715 /nfs/dbraw/zinc/65/07/15/781650715.db2.gz AAYPOKUVZAFUBJ-PKOBYXMFSA-N 1 2 346.475 0.935 20 30 ECEDLO N#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)C2)C1 ZINC001041504550 781650720 /nfs/dbraw/zinc/65/07/20/781650720.db2.gz AAYPOKUVZAFUBJ-PKOBYXMFSA-N 1 2 346.475 0.935 20 30 ECEDLO N#Cc1cnc(NC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CCCO2)cn1 ZINC001041506527 781655558 /nfs/dbraw/zinc/65/55/58/781655558.db2.gz SOGVBLBYLWLGHW-CQSZACIVSA-N 1 2 341.375 0.274 20 30 ECEDLO CN(c1ccnc(C#N)n1)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001068688646 790908616 /nfs/dbraw/zinc/90/86/16/790908616.db2.gz DHPFGFMCYPILPQ-UHFFFAOYSA-N 1 2 325.376 0.741 20 30 ECEDLO C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1CNc1ccnc(C#N)n1 ZINC001039893960 783236972 /nfs/dbraw/zinc/23/69/72/783236972.db2.gz VJAKRNPATOLBRE-STQMWFEESA-N 1 2 339.403 0.632 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1CCN(C)C1=O ZINC001039923613 783300640 /nfs/dbraw/zinc/30/06/40/783300640.db2.gz ZJSPUJWABBUZIP-JJTUDDRGSA-N 1 2 347.459 0.874 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1CCN(C)C1=O ZINC001039923613 783300652 /nfs/dbraw/zinc/30/06/52/783300652.db2.gz ZJSPUJWABBUZIP-JJTUDDRGSA-N 1 2 347.459 0.874 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N2C[C@@H](NCC#N)[C@@H](n3ccnn3)C2)c[nH+]1 ZINC001070216490 783676649 /nfs/dbraw/zinc/67/66/49/783676649.db2.gz SYGPYUCYPWVGLG-KGLIPLIRSA-N 1 2 342.407 0.083 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)C1=O ZINC001038175320 783951140 /nfs/dbraw/zinc/95/11/40/783951140.db2.gz OGOQQWDLZDJFBA-GJZGRUSLSA-N 1 2 327.388 0.477 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)C1=O ZINC001038175320 783951146 /nfs/dbraw/zinc/95/11/46/783951146.db2.gz OGOQQWDLZDJFBA-GJZGRUSLSA-N 1 2 327.388 0.477 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1ccncc1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070438616 784073390 /nfs/dbraw/zinc/07/33/90/784073390.db2.gz HTGFDEGULZZYNT-OAHLLOKOSA-N 1 2 336.399 0.683 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001038259832 784077241 /nfs/dbraw/zinc/07/72/41/784077241.db2.gz JXPFPWBRNLNXHN-XHSDSOJGSA-N 1 2 335.448 0.779 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001038259832 784077245 /nfs/dbraw/zinc/07/72/45/784077245.db2.gz JXPFPWBRNLNXHN-XHSDSOJGSA-N 1 2 335.448 0.779 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC001070903277 784082407 /nfs/dbraw/zinc/08/24/07/784082407.db2.gz JGMAOPHPVUSJJA-YUELXQCFSA-N 1 2 330.388 0.920 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC001070903277 784082411 /nfs/dbraw/zinc/08/24/11/784082411.db2.gz JGMAOPHPVUSJJA-YUELXQCFSA-N 1 2 330.388 0.920 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)/C=C/C1CC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070443814 784090605 /nfs/dbraw/zinc/09/06/05/784090605.db2.gz AOZHUFNKLDFAGG-LQYUOIDQSA-N 1 2 325.416 0.940 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001070920663 784116269 /nfs/dbraw/zinc/11/62/69/784116269.db2.gz YZBKNIWAPOESSG-HUUCEWRRSA-N 1 2 346.431 0.755 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2c(C)nn(C)c2C)CC1 ZINC001070983981 784321120 /nfs/dbraw/zinc/32/11/20/784321120.db2.gz OLLOMEOAMFZGEI-UHFFFAOYSA-N 1 2 347.463 0.416 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2c(C)nn(C)c2C)CC1 ZINC001070983981 784321132 /nfs/dbraw/zinc/32/11/32/784321132.db2.gz OLLOMEOAMFZGEI-UHFFFAOYSA-N 1 2 347.463 0.416 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)Cn2ccc(C)n2)CC1 ZINC001071000010 784371432 /nfs/dbraw/zinc/37/14/32/784371432.db2.gz JXLGVPZTGZCZRE-UHFFFAOYSA-N 1 2 333.436 0.418 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)Cn2ccc(C)n2)CC1 ZINC001071000010 784371438 /nfs/dbraw/zinc/37/14/38/784371438.db2.gz JXLGVPZTGZCZRE-UHFFFAOYSA-N 1 2 333.436 0.418 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(C3CC3)no2)CC1 ZINC001071006080 784387671 /nfs/dbraw/zinc/38/76/71/784387671.db2.gz SZMMRNWMKFNJFB-UHFFFAOYSA-N 1 2 344.415 0.839 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C3CC3)no2)CC1 ZINC001071006080 784387678 /nfs/dbraw/zinc/38/76/78/784387678.db2.gz SZMMRNWMKFNJFB-UHFFFAOYSA-N 1 2 344.415 0.839 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(CC)c[nH]c2=O)CC1 ZINC001071009319 784398793 /nfs/dbraw/zinc/39/87/93/784398793.db2.gz LGAVSGNAQIJLET-UHFFFAOYSA-N 1 2 346.431 0.800 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(CC)c[nH]c2=O)CC1 ZINC001071009319 784398798 /nfs/dbraw/zinc/39/87/98/784398798.db2.gz LGAVSGNAQIJLET-UHFFFAOYSA-N 1 2 346.431 0.800 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccc(C#C)cn2)CC1 ZINC001071015795 784423788 /nfs/dbraw/zinc/42/37/88/784423788.db2.gz ULZVTVIQDJGHDC-UHFFFAOYSA-N 1 2 338.411 0.350 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccc(C#C)cn2)CC1 ZINC001071015795 784423792 /nfs/dbraw/zinc/42/37/92/784423792.db2.gz ULZVTVIQDJGHDC-UHFFFAOYSA-N 1 2 338.411 0.350 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(CC)on2)CC1 ZINC001071016348 784426273 /nfs/dbraw/zinc/42/62/73/784426273.db2.gz JGIDALAYVDJCRA-UHFFFAOYSA-N 1 2 332.404 0.524 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(CC)on2)CC1 ZINC001071016348 784426278 /nfs/dbraw/zinc/42/62/78/784426278.db2.gz JGIDALAYVDJCRA-UHFFFAOYSA-N 1 2 332.404 0.524 20 30 ECEDLO C=CCN1CCNC(=O)CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001071018197 784431411 /nfs/dbraw/zinc/43/14/11/784431411.db2.gz FJCSJKMAVQPQPQ-UHFFFAOYSA-N 1 2 333.436 0.189 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2cnn(C)c2OC)CC1 ZINC001071018560 784432626 /nfs/dbraw/zinc/43/26/26/784432626.db2.gz YTLMQCRGGRYQTC-UHFFFAOYSA-N 1 2 349.435 0.269 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2cnn(C)c2OC)CC1 ZINC001071018560 784432632 /nfs/dbraw/zinc/43/26/32/784432632.db2.gz YTLMQCRGGRYQTC-UHFFFAOYSA-N 1 2 349.435 0.269 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(CC)n(C)n2)CC1 ZINC001071024349 784451214 /nfs/dbraw/zinc/45/12/14/784451214.db2.gz PXGMVRFLOOYCIV-UHFFFAOYSA-N 1 2 345.447 0.270 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(CC)n(C)n2)CC1 ZINC001071024349 784451219 /nfs/dbraw/zinc/45/12/19/784451219.db2.gz PXGMVRFLOOYCIV-UHFFFAOYSA-N 1 2 345.447 0.270 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)c2cnn(C)c2)CC1 ZINC001071025808 784455026 /nfs/dbraw/zinc/45/50/26/784455026.db2.gz XVGFRTPPSLGOBC-OAHLLOKOSA-N 1 2 347.463 0.750 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)c2cnn(C)c2)CC1 ZINC001071025808 784455031 /nfs/dbraw/zinc/45/50/31/784455031.db2.gz XVGFRTPPSLGOBC-OAHLLOKOSA-N 1 2 347.463 0.750 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2csnn2)C1 ZINC001070630282 784461224 /nfs/dbraw/zinc/46/12/24/784461224.db2.gz KCRFFNNYQLJJNY-CYZMBNFOSA-N 1 2 345.432 0.515 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCc2csnn2)C1 ZINC001070630282 784461230 /nfs/dbraw/zinc/46/12/30/784461230.db2.gz KCRFFNNYQLJJNY-CYZMBNFOSA-N 1 2 345.432 0.515 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnon2)C1 ZINC001070630524 784462518 /nfs/dbraw/zinc/46/25/18/784462518.db2.gz USJTUSYNGMCUCL-RAIGVLPGSA-N 1 2 329.364 0.047 20 30 ECEDLO Cc1nonc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1c1cncn1C ZINC001070630469 784462591 /nfs/dbraw/zinc/46/25/91/784462591.db2.gz ROYMBZQCWNYHRG-MPKXVKKWSA-N 1 2 343.391 0.355 20 30 ECEDLO CCc1ocnc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070632407 784464901 /nfs/dbraw/zinc/46/49/01/784464901.db2.gz WZMAEZZEEIJVAB-VXGBXAGGSA-N 1 2 328.376 0.692 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@H]1NCC#N ZINC001070634131 784469425 /nfs/dbraw/zinc/46/94/25/784469425.db2.gz IAUZLIMRDGEWNC-DGCLKSJQSA-N 1 2 326.360 0.242 20 30 ECEDLO CC(C)n1nccc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070652166 784499665 /nfs/dbraw/zinc/49/96/65/784499665.db2.gz DINDRQBWESLEIE-ZIAGYGMSSA-N 1 2 341.419 0.919 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001070674814 784534416 /nfs/dbraw/zinc/53/44/16/784534416.db2.gz FIJFUWALKAEEFA-UONOGXRCSA-N 1 2 332.404 0.488 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CCC([C@@H]2OCC[C@H]2NCC#N)CC1 ZINC001071101447 784540267 /nfs/dbraw/zinc/54/02/67/784540267.db2.gz SUIIJZWPYBVDEC-AEFFLSMTSA-N 1 2 345.447 0.862 20 30 ECEDLO Cc1cc(CCC(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)no1 ZINC001070688432 784553174 /nfs/dbraw/zinc/55/31/74/784553174.db2.gz FOTXODXNGPRPGP-HUUCEWRRSA-N 1 2 342.403 0.757 20 30 ECEDLO CC(C)c1cc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)[nH]n1 ZINC001070692983 784561864 /nfs/dbraw/zinc/56/18/64/784561864.db2.gz IYKYSIGLMYCCBK-IUODEOHRSA-N 1 2 341.419 0.988 20 30 ECEDLO CC(C)n1cc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)cn1 ZINC001070709538 784577923 /nfs/dbraw/zinc/57/79/23/784577923.db2.gz LVOMTRPVWSNVCQ-HUUCEWRRSA-N 1 2 341.419 0.919 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001070730273 784616211 /nfs/dbraw/zinc/61/62/11/784616211.db2.gz BBSVTEUPOJMGLS-HUUCEWRRSA-N 1 2 346.431 0.498 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)C(C)(F)F)C2)C(=O)C1 ZINC001071251896 784839660 /nfs/dbraw/zinc/83/96/60/784839660.db2.gz KUAFURVWPWJDQO-CYBMUJFWSA-N 1 2 327.375 0.800 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)C(C)(F)F)C2)C(=O)C1 ZINC001071251896 784839668 /nfs/dbraw/zinc/83/96/68/784839668.db2.gz KUAFURVWPWJDQO-CYBMUJFWSA-N 1 2 327.375 0.800 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3cc(C)on3)C2)C(=O)C1 ZINC001071252903 784842003 /nfs/dbraw/zinc/84/20/03/784842003.db2.gz AURCJGIZEPCGMX-OAHLLOKOSA-N 1 2 344.415 0.755 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3cc(C)on3)C2)C(=O)C1 ZINC001071252903 784842008 /nfs/dbraw/zinc/84/20/08/784842008.db2.gz AURCJGIZEPCGMX-OAHLLOKOSA-N 1 2 344.415 0.755 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3cn(C)cn3)C2)C(=O)C1 ZINC001071260227 784870784 /nfs/dbraw/zinc/87/07/84/784870784.db2.gz LSQRHJBXRDDKIO-HNNXBMFYSA-N 1 2 343.431 0.192 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3cn(C)cn3)C2)C(=O)C1 ZINC001071260227 784870790 /nfs/dbraw/zinc/87/07/90/784870790.db2.gz LSQRHJBXRDDKIO-HNNXBMFYSA-N 1 2 343.431 0.192 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3ccn(C)c3)C2)C(=O)C1 ZINC001071260054 784870870 /nfs/dbraw/zinc/87/08/70/784870870.db2.gz GYHIIQGUWBVPIH-QGZVFWFLSA-N 1 2 342.443 0.797 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3ccn(C)c3)C2)C(=O)C1 ZINC001071260054 784870880 /nfs/dbraw/zinc/87/08/80/784870880.db2.gz GYHIIQGUWBVPIH-QGZVFWFLSA-N 1 2 342.443 0.797 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@H](O)C(C)C)C2)C(=O)C1 ZINC001071264428 784885725 /nfs/dbraw/zinc/88/57/25/784885725.db2.gz VXZGZUVNIFDKBT-NVXWUHKLSA-N 1 2 335.448 0.162 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@H](O)C(C)C)C2)C(=O)C1 ZINC001071264428 784885729 /nfs/dbraw/zinc/88/57/29/784885729.db2.gz VXZGZUVNIFDKBT-NVXWUHKLSA-N 1 2 335.448 0.162 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3cnnn3C)C2)c1 ZINC001071816197 785151070 /nfs/dbraw/zinc/15/10/70/785151070.db2.gz UVOCLJZUXMNFLJ-CZUORRHYSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3cnnn3C)C2)c1 ZINC001071816197 785151078 /nfs/dbraw/zinc/15/10/78/785151078.db2.gz UVOCLJZUXMNFLJ-CZUORRHYSA-N 1 2 338.415 0.974 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(N)=O)C2)cc1 ZINC001071869669 785245489 /nfs/dbraw/zinc/24/54/89/785245489.db2.gz SOONEKNUSNMGER-HIFRSBDPSA-N 1 2 329.400 0.767 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(N)=O)C2)cc1 ZINC001071869669 785245497 /nfs/dbraw/zinc/24/54/97/785245497.db2.gz SOONEKNUSNMGER-HIFRSBDPSA-N 1 2 329.400 0.767 20 30 ECEDLO C=CCOCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001071878792 785261371 /nfs/dbraw/zinc/26/13/71/785261371.db2.gz VKAMATOPUPRONC-HIFRSBDPSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(=O)NC3CC3)C2)nn1 ZINC001071879268 785262239 /nfs/dbraw/zinc/26/22/39/785262239.db2.gz AXSJVKRIBACONW-JSGCOSHPSA-N 1 2 346.435 0.325 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(=O)NC3CC3)C2)nn1 ZINC001071879268 785262245 /nfs/dbraw/zinc/26/22/45/785262245.db2.gz AXSJVKRIBACONW-JSGCOSHPSA-N 1 2 346.435 0.325 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)CC[C@@H]1C ZINC001072055333 785585096 /nfs/dbraw/zinc/58/50/96/785585096.db2.gz SOICLQFTUPCFRN-RYUDHWBXSA-N 1 2 342.827 0.602 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)CC[C@@H]1C ZINC001072055333 785585099 /nfs/dbraw/zinc/58/50/99/785585099.db2.gz SOICLQFTUPCFRN-RYUDHWBXSA-N 1 2 342.827 0.602 20 30 ECEDLO C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001072100083 785668555 /nfs/dbraw/zinc/66/85/55/785668555.db2.gz BZXWICUTRSVVRD-CABCVRRESA-N 1 2 346.431 0.356 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001072429001 786169710 /nfs/dbraw/zinc/16/97/10/786169710.db2.gz AQCJMMNRBQZAJJ-UONOGXRCSA-N 1 2 346.431 0.690 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)[C@H]3COCCO3)C2)C1 ZINC001072492265 786273792 /nfs/dbraw/zinc/27/37/92/786273792.db2.gz JUFUMHMLDQJAMB-GFCCVEGCSA-N 1 2 345.237 0.845 20 30 ECEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)[C@H]3COCCO3)C2)C1 ZINC001072492265 786273797 /nfs/dbraw/zinc/27/37/97/786273797.db2.gz JUFUMHMLDQJAMB-GFCCVEGCSA-N 1 2 345.237 0.845 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3cccc(C)c3=O)C[C@@H]21 ZINC001074242479 786492074 /nfs/dbraw/zinc/49/20/74/786492074.db2.gz YLBCZJOPHZHEPX-DLBZAZTESA-N 1 2 343.427 0.482 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3cccc(C)c3=O)C[C@@H]21 ZINC001074242479 786492077 /nfs/dbraw/zinc/49/20/77/786492077.db2.gz YLBCZJOPHZHEPX-DLBZAZTESA-N 1 2 343.427 0.482 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cncc4nc[nH]c43)C[C@H]21 ZINC001074244749 786498954 /nfs/dbraw/zinc/49/89/54/786498954.db2.gz JWFUYLQNTZFCJF-HZPDHXFCSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cncc4nc[nH]c43)C[C@H]21 ZINC001074244749 786498958 /nfs/dbraw/zinc/49/89/58/786498958.db2.gz JWFUYLQNTZFCJF-HZPDHXFCSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnc(N(C)C)cn3)C[C@H]21 ZINC001074244883 786499095 /nfs/dbraw/zinc/49/90/95/786499095.db2.gz KRUYOVHHJMUVBD-CVEARBPZSA-N 1 2 343.431 0.481 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnc(N(C)C)cn3)C[C@H]21 ZINC001074244883 786499101 /nfs/dbraw/zinc/49/91/01/786499101.db2.gz KRUYOVHHJMUVBD-CVEARBPZSA-N 1 2 343.431 0.481 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C[C@H]21 ZINC001074274832 786566306 /nfs/dbraw/zinc/56/63/06/786566306.db2.gz WAPGDDLRKDNNFU-CVEARBPZSA-N 1 2 329.400 0.324 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C[C@H]21 ZINC001074274832 786566313 /nfs/dbraw/zinc/56/63/13/786566313.db2.gz WAPGDDLRKDNNFU-CVEARBPZSA-N 1 2 329.400 0.324 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C[C@H]21 ZINC001074285109 786594061 /nfs/dbraw/zinc/59/40/61/786594061.db2.gz VPGBLSFWWPWULV-HZPDHXFCSA-N 1 2 331.416 0.877 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C[C@H]21 ZINC001074285109 786594067 /nfs/dbraw/zinc/59/40/67/786594067.db2.gz VPGBLSFWWPWULV-HZPDHXFCSA-N 1 2 331.416 0.877 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3nccn4ccnc34)C[C@@H]21 ZINC001074341164 786711111 /nfs/dbraw/zinc/71/11/11/786711111.db2.gz QFCUYMWLAPRTPK-LSDHHAIUSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3nccn4ccnc34)C[C@@H]21 ZINC001074341164 786711116 /nfs/dbraw/zinc/71/11/16/786711116.db2.gz QFCUYMWLAPRTPK-LSDHHAIUSA-N 1 2 339.399 0.668 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@@H]3OCC[N@@H+](CCCO)[C@@H]3C2)nn1 ZINC001074353069 786736357 /nfs/dbraw/zinc/73/63/57/786736357.db2.gz BPJNKUSVWCRRJA-CVEARBPZSA-N 1 2 349.435 0.152 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@@H]3OCC[N@H+](CCCO)[C@@H]3C2)nn1 ZINC001074353069 786736365 /nfs/dbraw/zinc/73/63/65/786736365.db2.gz BPJNKUSVWCRRJA-CVEARBPZSA-N 1 2 349.435 0.152 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCc3ncccn3)C[C@@H]21 ZINC001074365986 786768956 /nfs/dbraw/zinc/76/89/56/786768956.db2.gz MJNUZYRQZUASJP-HOTGVXAUSA-N 1 2 328.416 0.734 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCc3ncccn3)C[C@@H]21 ZINC001074365986 786768964 /nfs/dbraw/zinc/76/89/64/786768964.db2.gz MJNUZYRQZUASJP-HOTGVXAUSA-N 1 2 328.416 0.734 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3OCC[N@@H+](CCCO)[C@@H]3C2)cn1 ZINC001074387857 786826266 /nfs/dbraw/zinc/82/62/66/786826266.db2.gz RHAZPNYMFILPRB-SJORKVTESA-N 1 2 329.400 0.361 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3OCC[N@H+](CCCO)[C@@H]3C2)cn1 ZINC001074387857 786826279 /nfs/dbraw/zinc/82/62/79/786826279.db2.gz RHAZPNYMFILPRB-SJORKVTESA-N 1 2 329.400 0.361 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3nc(C)ccc3=O)C[C@H]21 ZINC001074387404 786826329 /nfs/dbraw/zinc/82/63/29/786826329.db2.gz KFJAAOAHWQHEAB-HZPDHXFCSA-N 1 2 346.431 0.430 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3nc(C)ccc3=O)C[C@H]21 ZINC001074387404 786826344 /nfs/dbraw/zinc/82/63/44/786826344.db2.gz KFJAAOAHWQHEAB-HZPDHXFCSA-N 1 2 346.431 0.430 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnn4cc[nH]c34)C[C@H]21 ZINC001074390938 786832489 /nfs/dbraw/zinc/83/24/89/786832489.db2.gz UYVISIQUEZYDQN-HUUCEWRRSA-N 1 2 327.388 0.601 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnn4cc[nH]c34)C[C@H]21 ZINC001074390938 786832501 /nfs/dbraw/zinc/83/25/01/786832501.db2.gz UYVISIQUEZYDQN-HUUCEWRRSA-N 1 2 327.388 0.601 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H]2OCC[N@@H+](CCCO)[C@H]2C1 ZINC001074392056 786835122 /nfs/dbraw/zinc/83/51/22/786835122.db2.gz DBTXBIMXHBNHTD-OALUTQOASA-N 1 2 342.439 0.895 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H]2OCC[N@H+](CCCO)[C@H]2C1 ZINC001074392056 786835124 /nfs/dbraw/zinc/83/51/24/786835124.db2.gz DBTXBIMXHBNHTD-OALUTQOASA-N 1 2 342.439 0.895 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC[C@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001074393038 786836218 /nfs/dbraw/zinc/83/62/18/786836218.db2.gz UYUQDZCKXPHTTF-ZWKOTPCHSA-N 1 2 328.412 0.504 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC[C@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001074393038 786836230 /nfs/dbraw/zinc/83/62/30/786836230.db2.gz UYUQDZCKXPHTTF-ZWKOTPCHSA-N 1 2 328.412 0.504 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCN3CCCC3=O)C[C@@H]21 ZINC001074402069 786863974 /nfs/dbraw/zinc/86/39/74/786863974.db2.gz CJARHLWZYWHEMR-JKSUJKDBSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCN3CCCC3=O)C[C@@H]21 ZINC001074402069 786863986 /nfs/dbraw/zinc/86/39/86/786863986.db2.gz CJARHLWZYWHEMR-JKSUJKDBSA-N 1 2 333.432 0.324 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1CN(CC#N)CCCO1)C2 ZINC001073670700 786925558 /nfs/dbraw/zinc/92/55/58/786925558.db2.gz LXRAHDIPSQFIFD-ZIAGYGMSSA-N 1 2 331.420 0.554 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CN(CC#N)CCCO1)CC2 ZINC001073670700 786925567 /nfs/dbraw/zinc/92/55/67/786925567.db2.gz LXRAHDIPSQFIFD-ZIAGYGMSSA-N 1 2 331.420 0.554 20 30 ECEDLO C=C(C)CCC(=O)N1CCC(O)(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001074609151 787384034 /nfs/dbraw/zinc/38/40/34/787384034.db2.gz UQVRIUFWLZTZCB-UHFFFAOYSA-N 1 2 348.447 0.789 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001074706861 787648494 /nfs/dbraw/zinc/64/84/94/787648494.db2.gz QLSJHTHFTOMVTO-JHJVBQTASA-N 1 2 345.403 0.143 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001074706861 787648497 /nfs/dbraw/zinc/64/84/97/787648497.db2.gz QLSJHTHFTOMVTO-JHJVBQTASA-N 1 2 345.403 0.143 20 30 ECEDLO C#CCCCC(=O)NCC1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001074759129 787774135 /nfs/dbraw/zinc/77/41/35/787774135.db2.gz NWJWCLRFXDWLBC-UHFFFAOYSA-N 1 2 332.404 0.225 20 30 ECEDLO Cc1nnc(C[N@@H+]2CCC3(CN(C(=O)c4cc(C#N)c[nH]4)C3)C2)o1 ZINC001072593070 788386568 /nfs/dbraw/zinc/38/65/68/788386568.db2.gz ZQRVKLOXECRKIM-UHFFFAOYSA-N 1 2 326.360 0.926 20 30 ECEDLO Cc1nnc(C[N@H+]2CCC3(CN(C(=O)c4cc(C#N)c[nH]4)C3)C2)o1 ZINC001072593070 788386575 /nfs/dbraw/zinc/38/65/75/788386575.db2.gz ZQRVKLOXECRKIM-UHFFFAOYSA-N 1 2 326.360 0.926 20 30 ECEDLO C[C@@H](c1nncn1C)[N@@H+]1CCC2(CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001072635147 788476540 /nfs/dbraw/zinc/47/65/40/788476540.db2.gz LVHYJGOCIXENGI-LBPRGKRZSA-N 1 2 339.403 0.924 20 30 ECEDLO C[C@@H](c1nncn1C)[N@H+]1CCC2(CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001072635147 788476547 /nfs/dbraw/zinc/47/65/47/788476547.db2.gz LVHYJGOCIXENGI-LBPRGKRZSA-N 1 2 339.403 0.924 20 30 ECEDLO C#CC[NH2+][C@@H]1CCO[C@H](C2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001075397171 789323317 /nfs/dbraw/zinc/32/33/17/789323317.db2.gz IPGIBPSDSJRPDN-CABCVRRESA-N 1 2 331.420 0.356 20 30 ECEDLO C#CC[NH2+][C@H]1CCO[C@@H](C2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001075397174 789324141 /nfs/dbraw/zinc/32/41/41/789324141.db2.gz IPGIBPSDSJRPDN-LSDHHAIUSA-N 1 2 331.420 0.356 20 30 ECEDLO CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1NC(=O)CSCC#N ZINC001073319908 789731096 /nfs/dbraw/zinc/73/10/96/789731096.db2.gz XCGSKHLYUXMPPU-ZDUSSCGKSA-N 1 2 349.460 0.952 20 30 ECEDLO N#Cc1ccc(N2CC[C@@]3(NC(=O)Cc4c[nH]c[nH+]4)CCC[C@H]23)nn1 ZINC001069291827 789736071 /nfs/dbraw/zinc/73/60/71/789736071.db2.gz RWUKIEHLOBLYCM-YOEHRIQHSA-N 1 2 337.387 0.932 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1c1ccc(C#N)nn1 ZINC001069383489 789789238 /nfs/dbraw/zinc/78/92/38/789789238.db2.gz KJCYZKJHBVQRLG-YPMHNXCESA-N 1 2 325.376 0.788 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1c1nccnc1C#N ZINC001069384394 789790029 /nfs/dbraw/zinc/79/00/29/789790029.db2.gz XQGRWTAMIGPUOQ-NEPJUHHUSA-N 1 2 325.376 0.788 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC001073423020 789817569 /nfs/dbraw/zinc/81/75/69/789817569.db2.gz VNDJOCMGZBACLX-CABCVRRESA-N 1 2 346.431 0.665 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC001073423111 789818324 /nfs/dbraw/zinc/81/83/24/789818324.db2.gz XNVOXDKQUOMUBG-OAHLLOKOSA-N 1 2 346.431 0.666 20 30 ECEDLO N#Cc1cnc(NC[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001069476150 789850986 /nfs/dbraw/zinc/85/09/86/789850986.db2.gz QRPUZNMHZUHIBS-STQMWFEESA-N 1 2 325.376 0.942 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CCCNC3=O)c2C1 ZINC001069864032 790119111 /nfs/dbraw/zinc/11/91/11/790119111.db2.gz WAGFOKOPGOXGIC-CQSZACIVSA-N 1 2 331.420 0.417 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CCCNC3=O)c2C1 ZINC001069864032 790119117 /nfs/dbraw/zinc/11/91/17/790119117.db2.gz WAGFOKOPGOXGIC-CQSZACIVSA-N 1 2 331.420 0.417 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CCCNC3=O)c2C1 ZINC001069864031 790119190 /nfs/dbraw/zinc/11/91/90/790119190.db2.gz WAGFOKOPGOXGIC-AWEZNQCLSA-N 1 2 331.420 0.417 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CCCNC3=O)c2C1 ZINC001069864031 790119194 /nfs/dbraw/zinc/11/91/94/790119194.db2.gz WAGFOKOPGOXGIC-AWEZNQCLSA-N 1 2 331.420 0.417 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccnc(F)c2)[C@@H](n2ccnn2)C1 ZINC001069901997 790170752 /nfs/dbraw/zinc/17/07/52/790170752.db2.gz BKXBQXHGYJCIAM-KGLIPLIRSA-N 1 2 328.351 0.491 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccnc(F)c2)[C@@H](n2ccnn2)C1 ZINC001069901997 790170756 /nfs/dbraw/zinc/17/07/56/790170756.db2.gz BKXBQXHGYJCIAM-KGLIPLIRSA-N 1 2 328.351 0.491 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ncccc2O)[C@@H](n2ccnn2)C1 ZINC001069913807 790182763 /nfs/dbraw/zinc/18/27/63/790182763.db2.gz AVBHLQOHWLFENK-OLZOCXBDSA-N 1 2 328.376 0.610 20 30 ECEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ncccc2O)[C@@H](n2ccnn2)C1 ZINC001069913807 790182764 /nfs/dbraw/zinc/18/27/64/790182764.db2.gz AVBHLQOHWLFENK-OLZOCXBDSA-N 1 2 328.376 0.610 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3c[nH]nc32)[C@@H](n2ccnn2)C1 ZINC001069927316 790198503 /nfs/dbraw/zinc/19/85/03/790198503.db2.gz UUWJLKOXDDFVJP-ZNMIVQPWSA-N 1 2 339.403 0.096 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3c[nH]nc32)[C@@H](n2ccnn2)C1 ZINC001069927316 790198507 /nfs/dbraw/zinc/19/85/07/790198507.db2.gz UUWJLKOXDDFVJP-ZNMIVQPWSA-N 1 2 339.403 0.096 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069929962 790202533 /nfs/dbraw/zinc/20/25/33/790202533.db2.gz WCVMZYKBZBRRGK-FZKCQIBNSA-N 1 2 331.420 0.314 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069929962 790202538 /nfs/dbraw/zinc/20/25/38/790202538.db2.gz WCVMZYKBZBRRGK-FZKCQIBNSA-N 1 2 331.420 0.314 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(Cl)cnn2CC)[C@@H](n2ccnn2)C1 ZINC001069936767 790210254 /nfs/dbraw/zinc/21/02/54/790210254.db2.gz RUABSWUJRHSJQR-OLZOCXBDSA-N 1 2 347.810 0.436 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(Cl)cnn2CC)[C@@H](n2ccnn2)C1 ZINC001069936767 790210258 /nfs/dbraw/zinc/21/02/58/790210258.db2.gz RUABSWUJRHSJQR-OLZOCXBDSA-N 1 2 347.810 0.436 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2nc(CC)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001069950149 790230481 /nfs/dbraw/zinc/23/04/81/790230481.db2.gz CCHRXIVTKGFNSM-CABCVRRESA-N 1 2 341.419 0.171 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2nc(CC)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001069950149 790230484 /nfs/dbraw/zinc/23/04/84/790230484.db2.gz CCHRXIVTKGFNSM-CABCVRRESA-N 1 2 341.419 0.171 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2Cl)[C@@H](n2ccnn2)C1 ZINC001069959075 790241619 /nfs/dbraw/zinc/24/16/19/790241619.db2.gz BRNGGVFQGDQDRC-NEPJUHHUSA-N 1 2 335.799 0.506 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2Cl)[C@@H](n2ccnn2)C1 ZINC001069959075 790241622 /nfs/dbraw/zinc/24/16/22/790241622.db2.gz BRNGGVFQGDQDRC-NEPJUHHUSA-N 1 2 335.799 0.506 20 30 ECEDLO O=C(C#CC1CC1)N[C@H]1COC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001068863004 791294312 /nfs/dbraw/zinc/29/43/12/791294312.db2.gz MMDIKHZYXQSROL-OAHLLOKOSA-N 1 2 342.399 0.173 20 30 ECEDLO C=CC(C)(C)CC(=O)N[C@H]1COC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001068883239 791338311 /nfs/dbraw/zinc/33/83/11/791338311.db2.gz NHIVNHSSKIGZAE-CQSZACIVSA-N 1 2 346.431 0.972 20 30 ECEDLO C[C@H]1C[C@H](Nc2cncc(C#N)n2)CN1C(=O)Cc1c[nH+]cn1C ZINC001069121131 791722011 /nfs/dbraw/zinc/72/20/11/791722011.db2.gz HUPIXDSTDQWVRE-RYUDHWBXSA-N 1 2 325.376 0.726 20 30 ECEDLO N#Cc1cccnc1NC[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001066686946 791988659 /nfs/dbraw/zinc/98/86/59/791988659.db2.gz CXNLGYPQXLBXHY-HNNXBMFYSA-N 1 2 340.387 0.948 20 30 ECEDLO N#Cc1cccnc1NC[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001066686946 791988668 /nfs/dbraw/zinc/98/86/68/791988668.db2.gz CXNLGYPQXLBXHY-HNNXBMFYSA-N 1 2 340.387 0.948 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(c3ncc(F)cn3)CC2)C1 ZINC001066697798 792015627 /nfs/dbraw/zinc/01/56/27/792015627.db2.gz CUSSAQBNKRKJME-TZMCWYRMSA-N 1 2 332.383 0.498 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]([NH+]2CCN(c3ncccn3)CC2)C1 ZINC001066700704 792026894 /nfs/dbraw/zinc/02/68/94/792026894.db2.gz KTFFFRSDUWSPKU-INIZCTEOSA-N 1 2 325.416 0.613 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1)c1cncc(C#N)n1 ZINC001067749760 792224565 /nfs/dbraw/zinc/22/45/65/792224565.db2.gz ZDRCMVNMWIAISR-CABCVRRESA-N 1 2 344.419 0.106 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1)c1cncc(C#N)n1 ZINC001067749760 792224571 /nfs/dbraw/zinc/22/45/71/792224571.db2.gz ZDRCMVNMWIAISR-CABCVRRESA-N 1 2 344.419 0.106 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(c2nccnc2C#N)CC[C@@H]1C ZINC001067963895 792514173 /nfs/dbraw/zinc/51/41/73/792514173.db2.gz WAMOQEUYWVOSSN-XHDPSFHLSA-N 1 2 339.403 0.954 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CN(c2cnc(C#N)cn2)CC1(C)C ZINC001068118556 792703291 /nfs/dbraw/zinc/70/32/91/792703291.db2.gz ZDFHRXRHWUYSJS-AWEZNQCLSA-N 1 2 339.403 0.954 20 30 ECEDLO CC1(C)CN(c2nccnc2C#N)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001068119614 792704302 /nfs/dbraw/zinc/70/43/02/792704302.db2.gz RVRRIUDZRRNRDW-GFCCVEGCSA-N 1 2 325.376 0.645 20 30 ECEDLO Cc1cc(C#N)nc(N[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)n1 ZINC001067122855 792721582 /nfs/dbraw/zinc/72/15/82/792721582.db2.gz KSHVFDIWPFRQNP-XHDPSFHLSA-N 1 2 339.403 0.892 20 30 ECEDLO Cc1cc(C#N)nc(N[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)n1 ZINC001067122853 792721962 /nfs/dbraw/zinc/72/19/62/792721962.db2.gz KSHVFDIWPFRQNP-ABAIWWIYSA-N 1 2 339.403 0.892 20 30 ECEDLO C[C@H](Nc1ccc(C#N)nc1)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001068235712 792890467 /nfs/dbraw/zinc/89/04/67/792890467.db2.gz YMZPPSIFAJHNJC-XJKSGUPXSA-N 1 2 340.387 0.878 20 30 ECEDLO C[C@H]1CN(c2ccnc(C#N)n2)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067405384 793108685 /nfs/dbraw/zinc/10/86/85/793108685.db2.gz HGZSHXIUVHGQAB-JSGCOSHPSA-N 1 2 339.403 0.655 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067407636 793111940 /nfs/dbraw/zinc/11/19/40/793111940.db2.gz JFGPNFUDECTZQX-NWDGAFQWSA-N 1 2 325.376 0.645 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C[C@@H]1C ZINC001067408469 793114756 /nfs/dbraw/zinc/11/47/56/793114756.db2.gz UOHRMKYXDJFSER-FZMZJTMJSA-N 1 2 339.403 0.954 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CN(C(=O)CCCn1cc[nH+]c1)CCO2 ZINC001068409314 793250835 /nfs/dbraw/zinc/25/08/35/793250835.db2.gz AZPBTQQNSNKEMQ-CQSZACIVSA-N 1 2 345.403 0.263 20 30 ECEDLO C#CCCCC(=O)N1CC2(C1)CN(C(=O)CCn1cc[nH+]c1)CCO2 ZINC001068417435 793273310 /nfs/dbraw/zinc/27/33/10/793273310.db2.gz BGXGTURBXUABHB-UHFFFAOYSA-N 1 2 344.415 0.517 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCOC2(CN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001068450541 793332325 /nfs/dbraw/zinc/33/23/25/793332325.db2.gz SFIBKKBXIUVNQZ-AWEZNQCLSA-N 1 2 345.403 0.263 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cncnc2)C1 ZINC001267453241 837434529 /nfs/dbraw/zinc/43/45/29/837434529.db2.gz AEBMOLFQBYITKB-OAHLLOKOSA-N 1 2 329.404 0.153 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cncnc2)C1 ZINC001267453241 837434531 /nfs/dbraw/zinc/43/45/31/837434531.db2.gz AEBMOLFQBYITKB-OAHLLOKOSA-N 1 2 329.404 0.153 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cc[n+]([O-])cc2)C1 ZINC001267539804 837724545 /nfs/dbraw/zinc/72/45/45/837724545.db2.gz QGYFFUBEQDEGGD-MRXNPFEDSA-N 1 2 346.431 0.549 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cc[n+]([O-])cc2)C1 ZINC001267539804 837724549 /nfs/dbraw/zinc/72/45/49/837724549.db2.gz QGYFFUBEQDEGGD-MRXNPFEDSA-N 1 2 346.431 0.549 20 30 ECEDLO CCCN(C(=O)CCC(F)F)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267542965 837730504 /nfs/dbraw/zinc/73/05/04/837730504.db2.gz BLVUMQRRIGTRDS-LBPRGKRZSA-N 1 2 330.379 0.984 20 30 ECEDLO CCCN(C(=O)CCC(F)F)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267542965 837730509 /nfs/dbraw/zinc/73/05/09/837730509.db2.gz BLVUMQRRIGTRDS-LBPRGKRZSA-N 1 2 330.379 0.984 20 30 ECEDLO CC#CCN1CC[NH+](CCN(C)C(=O)c2cn(C)nc2CC)CC1 ZINC001267572959 837812361 /nfs/dbraw/zinc/81/23/61/837812361.db2.gz CWLFUZYKUXKUAZ-UHFFFAOYSA-N 1 2 331.464 0.695 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC001267575758 837827159 /nfs/dbraw/zinc/82/71/59/837827159.db2.gz KVFJSGNIHYMWNQ-QGZVFWFLSA-N 1 2 346.406 0.729 20 30 ECEDLO COc1ccc(OC)c(C(=O)N(C)CC[NH+]2CCN(CC#N)CC2)c1 ZINC001267576112 837829686 /nfs/dbraw/zinc/82/96/86/837829686.db2.gz QZMSYFMBKPMYES-UHFFFAOYSA-N 1 2 346.431 0.917 20 30 ECEDLO CCCC(=O)N1CCC[C@@H]1C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001267578014 837834102 /nfs/dbraw/zinc/83/41/02/837834102.db2.gz UYLQIGZIHOFFJL-MRXNPFEDSA-N 1 2 349.479 0.377 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)C(F)(F)F)C1 ZINC001266246358 835551378 /nfs/dbraw/zinc/55/13/78/835551378.db2.gz ODDTWPVGZSHEGV-NSHDSACASA-N 1 2 333.354 0.905 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C(F)(F)F)C1 ZINC001266246358 835551383 /nfs/dbraw/zinc/55/13/83/835551383.db2.gz ODDTWPVGZSHEGV-NSHDSACASA-N 1 2 333.354 0.905 20 30 ECEDLO CC#CCCCC(=O)NCCCN1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001266269925 835590178 /nfs/dbraw/zinc/59/01/78/835590178.db2.gz TVTHRROSPBFENH-KRWDZBQOSA-N 1 2 348.491 0.535 20 30 ECEDLO CCc1nnc([C@@H](C)N2CC[NH+](CCNC(=O)C#CC3CC3)CC2)[nH]1 ZINC001266283138 835613497 /nfs/dbraw/zinc/61/34/97/835613497.db2.gz FYCPLGBMHMKSCR-CQSZACIVSA-N 1 2 344.463 0.575 20 30 ECEDLO C=C(C)C[NH+]1CCN(CCNC(=O)CS(=O)(=O)CC(C)C)CC1 ZINC001266287836 835629302 /nfs/dbraw/zinc/62/93/02/835629302.db2.gz ILRHTKXVXIXVRW-UHFFFAOYSA-N 1 2 345.509 0.367 20 30 ECEDLO COCC#CCN1CC[NH+](CCNC(=O)[C@H]2CCC[C@H]2OC)CC1 ZINC001266288059 835630829 /nfs/dbraw/zinc/63/08/29/835630829.db2.gz PWROLRQFTVZTHZ-DLBZAZTESA-N 1 2 337.464 0.185 20 30 ECEDLO COCC#CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[C@H]2OC)CC1 ZINC001266288059 835630830 /nfs/dbraw/zinc/63/08/30/835630830.db2.gz PWROLRQFTVZTHZ-DLBZAZTESA-N 1 2 337.464 0.185 20 30 ECEDLO C#CCN1CC[NH+](CCNC(=O)Cc2ccc3n[nH]cc3c2)CC1 ZINC001266288506 835632070 /nfs/dbraw/zinc/63/20/70/835632070.db2.gz ZBZDKCBTTGMICU-UHFFFAOYSA-N 1 2 325.416 0.472 20 30 ECEDLO COCC#CCN1CC[NH+](CCNC(=O)[C@@H]2CCOC[C@@H]2C)CC1 ZINC001266292745 835636882 /nfs/dbraw/zinc/63/68/82/835636882.db2.gz SVFIPQXEHBHRFZ-DLBZAZTESA-N 1 2 337.464 0.043 20 30 ECEDLO COCC#CC[NH+]1CCN(CCNC(=O)[C@@H]2CCOC[C@@H]2C)CC1 ZINC001266292745 835636884 /nfs/dbraw/zinc/63/68/84/835636884.db2.gz SVFIPQXEHBHRFZ-DLBZAZTESA-N 1 2 337.464 0.043 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccnn2[C@H](C)CC)C1 ZINC001266322833 835697248 /nfs/dbraw/zinc/69/72/48/835697248.db2.gz OOHHADJCVLFUSS-ZIAGYGMSSA-N 1 2 333.436 0.960 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccnn2[C@H](C)CC)C1 ZINC001266322833 835697252 /nfs/dbraw/zinc/69/72/52/835697252.db2.gz OOHHADJCVLFUSS-ZIAGYGMSSA-N 1 2 333.436 0.960 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccnc3ccccc32)C1 ZINC001266327263 835706848 /nfs/dbraw/zinc/70/68/48/835706848.db2.gz BQORZSYFPSNWQO-ZDUSSCGKSA-N 1 2 337.383 0.679 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccnc3ccccc32)C1 ZINC001266327263 835706854 /nfs/dbraw/zinc/70/68/54/835706854.db2.gz BQORZSYFPSNWQO-ZDUSSCGKSA-N 1 2 337.383 0.679 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CCC(C)(F)F)C1 ZINC001266328181 835709386 /nfs/dbraw/zinc/70/93/86/835709386.db2.gz VSKWBQQAJATYMR-NSHDSACASA-N 1 2 346.378 0.624 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CCC(C)(F)F)C1 ZINC001266328181 835709388 /nfs/dbraw/zinc/70/93/88/835709388.db2.gz VSKWBQQAJATYMR-NSHDSACASA-N 1 2 346.378 0.624 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001266329689 835710701 /nfs/dbraw/zinc/71/07/01/835710701.db2.gz DHKDGWISZFWKLX-UHFFFAOYSA-N 1 2 331.376 0.232 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC001266329689 835710704 /nfs/dbraw/zinc/71/07/04/835710704.db2.gz DHKDGWISZFWKLX-UHFFFAOYSA-N 1 2 331.376 0.232 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC001266342275 835728139 /nfs/dbraw/zinc/72/81/39/835728139.db2.gz QARXUPDHSMZBNM-CXAGYDPISA-N 1 2 336.436 0.767 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC001266342275 835728142 /nfs/dbraw/zinc/72/81/42/835728142.db2.gz QARXUPDHSMZBNM-CXAGYDPISA-N 1 2 336.436 0.767 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1ncc(Cl)cc1Cl ZINC001266342296 835728417 /nfs/dbraw/zinc/72/84/17/835728417.db2.gz LQXPFVRQJAAVPP-UHFFFAOYSA-N 1 2 343.214 0.799 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1ncc(Cl)cc1Cl ZINC001266342296 835728420 /nfs/dbraw/zinc/72/84/20/835728420.db2.gz LQXPFVRQJAAVPP-UHFFFAOYSA-N 1 2 343.214 0.799 20 30 ECEDLO Cc1ccc(OCC(=O)NCC[N@@H+](C)CC(=O)NCC#N)c(C)c1 ZINC001266358005 835763436 /nfs/dbraw/zinc/76/34/36/835763436.db2.gz KCCUGUVHXAKHDJ-UHFFFAOYSA-N 1 2 332.404 0.370 20 30 ECEDLO Cc1ccc(OCC(=O)NCC[N@H+](C)CC(=O)NCC#N)c(C)c1 ZINC001266358005 835763445 /nfs/dbraw/zinc/76/34/45/835763445.db2.gz KCCUGUVHXAKHDJ-UHFFFAOYSA-N 1 2 332.404 0.370 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](F)CC ZINC001266477778 835879900 /nfs/dbraw/zinc/87/99/00/835879900.db2.gz VHPTYOAZSUFFTF-RYUDHWBXSA-N 1 2 328.388 0.327 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](F)CC ZINC001266477778 835879905 /nfs/dbraw/zinc/87/99/05/835879905.db2.gz VHPTYOAZSUFFTF-RYUDHWBXSA-N 1 2 328.388 0.327 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn2ccccc2n1 ZINC001266491954 835892084 /nfs/dbraw/zinc/89/20/84/835892084.db2.gz DUILZQKIRJBDOZ-CYBMUJFWSA-N 1 2 340.387 0.168 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cn2ccccc2n1 ZINC001266491954 835892095 /nfs/dbraw/zinc/89/20/95/835892095.db2.gz DUILZQKIRJBDOZ-CYBMUJFWSA-N 1 2 340.387 0.168 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(CF)cc1 ZINC001266495103 835894609 /nfs/dbraw/zinc/89/46/09/835894609.db2.gz HDVSGKBPIXOUAP-OAHLLOKOSA-N 1 2 332.379 0.990 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(CF)cc1 ZINC001266495103 835894615 /nfs/dbraw/zinc/89/46/15/835894615.db2.gz HDVSGKBPIXOUAP-OAHLLOKOSA-N 1 2 332.379 0.990 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001266553672 835981085 /nfs/dbraw/zinc/98/10/85/835981085.db2.gz RJOLGVDNBLBKNP-JSGCOSHPSA-N 1 2 337.449 0.700 20 30 ECEDLO C#CCCCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001266678457 836131790 /nfs/dbraw/zinc/13/17/90/836131790.db2.gz CZUOEXUPFJFVPS-OKILXGFUSA-N 1 2 341.415 0.953 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)C1CC(F)(F)C1 ZINC001266839912 836367985 /nfs/dbraw/zinc/36/79/85/836367985.db2.gz LHHMXCWUVVRVNZ-LBPRGKRZSA-N 1 2 328.363 0.642 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)C1CC(F)(F)C1 ZINC001266839912 836367996 /nfs/dbraw/zinc/36/79/96/836367996.db2.gz LHHMXCWUVVRVNZ-LBPRGKRZSA-N 1 2 328.363 0.642 20 30 ECEDLO CC(C)C#CC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC001266842538 836368786 /nfs/dbraw/zinc/36/87/86/836368786.db2.gz PWNUPBSYUVYAPW-OAHLLOKOSA-N 1 2 348.447 0.605 20 30 ECEDLO CC(C)C#CC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC001266842538 836368793 /nfs/dbraw/zinc/36/87/93/836368793.db2.gz PWNUPBSYUVYAPW-OAHLLOKOSA-N 1 2 348.447 0.605 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[NH2+]Cc1nc(CC(=O)NC)no1 ZINC001266961574 836530602 /nfs/dbraw/zinc/53/06/02/836530602.db2.gz UCHQZMIWLXCNJB-LLVKDONJSA-N 1 2 337.424 0.555 20 30 ECEDLO Cc1nc2cccc(C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC#N)c2[nH]1 ZINC001266984511 836565130 /nfs/dbraw/zinc/56/51/30/836565130.db2.gz VXQCDFRWMKOJMC-SNVBAGLBSA-N 1 2 328.376 0.219 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001299161493 836686118 /nfs/dbraw/zinc/68/61/18/836686118.db2.gz DMDARAGRJNIGHS-KBPBESRZSA-N 1 2 344.415 0.249 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1[nH]ncc1Br ZINC001267221862 837016300 /nfs/dbraw/zinc/01/63/00/837016300.db2.gz YWGCLMGQACAYGO-UHFFFAOYSA-N 1 2 344.213 0.136 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1[nH]ncc1Br ZINC001267221862 837016314 /nfs/dbraw/zinc/01/63/14/837016314.db2.gz YWGCLMGQACAYGO-UHFFFAOYSA-N 1 2 344.213 0.136 20 30 ECEDLO C[N@H+](CCNC(=O)c1cc2c(s1)CCCC2)CC(=O)NCC#N ZINC001267230192 837033742 /nfs/dbraw/zinc/03/37/42/837033742.db2.gz UODWPHBIDIFMID-UHFFFAOYSA-N 1 2 334.445 0.928 20 30 ECEDLO C[N@@H+](CCNC(=O)c1cc2c(s1)CCCC2)CC(=O)NCC#N ZINC001267230192 837033752 /nfs/dbraw/zinc/03/37/52/837033752.db2.gz UODWPHBIDIFMID-UHFFFAOYSA-N 1 2 334.445 0.928 20 30 ECEDLO C=CCOCC[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(C)CCCS1(=O)=O ZINC001267277746 837123252 /nfs/dbraw/zinc/12/32/52/837123252.db2.gz AKUFTANSTKRCCY-GOEBONIOSA-N 1 2 344.477 0.737 20 30 ECEDLO C=CCOCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(C)CCCS1(=O)=O ZINC001267277746 837123254 /nfs/dbraw/zinc/12/32/54/837123254.db2.gz AKUFTANSTKRCCY-GOEBONIOSA-N 1 2 344.477 0.737 20 30 ECEDLO COCC#CC[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2CCCS2(=O)=O)C1 ZINC001267298897 837161174 /nfs/dbraw/zinc/16/11/74/837161174.db2.gz SMWQPJJHLUCSSZ-LSDHHAIUSA-N 1 2 342.461 0.042 20 30 ECEDLO COCC#CC[N@H+]1CC[C@@H](CNC(=O)C[C@H]2CCCS2(=O)=O)C1 ZINC001267298897 837161178 /nfs/dbraw/zinc/16/11/78/837161178.db2.gz SMWQPJJHLUCSSZ-LSDHHAIUSA-N 1 2 342.461 0.042 20 30 ECEDLO CN(CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C(=O)c1cc(C#N)c[nH]1 ZINC001408605246 837336504 /nfs/dbraw/zinc/33/65/04/837336504.db2.gz NDPCKJHUWMLFGG-ZDUSSCGKSA-N 1 2 340.387 0.534 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CCN(C)C(=O)c2ccn(C)c2)CC1 ZINC001267606025 837945416 /nfs/dbraw/zinc/94/54/16/837945416.db2.gz LFAQKGIGNUTQNN-UHFFFAOYSA-N 1 2 347.463 0.017 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cc3n(n2)CCCC3)C1 ZINC001267615167 837993306 /nfs/dbraw/zinc/99/33/06/837993306.db2.gz ILWNTAZLOCMWBL-CQSZACIVSA-N 1 2 345.447 0.716 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cc3n(n2)CCCC3)C1 ZINC001267615167 837993316 /nfs/dbraw/zinc/99/33/16/837993316.db2.gz ILWNTAZLOCMWBL-CQSZACIVSA-N 1 2 345.447 0.716 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C)[nH]c2=O)C1 ZINC001267617884 838045414 /nfs/dbraw/zinc/04/54/14/838045414.db2.gz MCRIRZBJLOTZJE-CYBMUJFWSA-N 1 2 332.404 0.592 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)[nH]c2=O)C1 ZINC001267617884 838045426 /nfs/dbraw/zinc/04/54/26/838045426.db2.gz MCRIRZBJLOTZJE-CYBMUJFWSA-N 1 2 332.404 0.592 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)c2c(C)n[nH]c2C)C1 ZINC001267618010 838046553 /nfs/dbraw/zinc/04/65/53/838046553.db2.gz OASQOWYNLMMVJK-IUODEOHRSA-N 1 2 345.447 0.460 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)c2c(C)n[nH]c2C)C1 ZINC001267618010 838046569 /nfs/dbraw/zinc/04/65/69/838046569.db2.gz OASQOWYNLMMVJK-IUODEOHRSA-N 1 2 345.447 0.460 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)c2n[nH]c3c2CCC3)C1 ZINC001267627572 838076759 /nfs/dbraw/zinc/07/67/59/838076759.db2.gz IGVIGWWTZUOWBJ-OLZOCXBDSA-N 1 2 343.431 0.231 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2n[nH]c3c2CCC3)C1 ZINC001267627572 838076771 /nfs/dbraw/zinc/07/67/71/838076771.db2.gz IGVIGWWTZUOWBJ-OLZOCXBDSA-N 1 2 343.431 0.231 20 30 ECEDLO C=CCN(CC=C)C(=O)C[NH+]1CC(CNC(=O)c2cnc[nH]c2=O)C1 ZINC001267686299 838249203 /nfs/dbraw/zinc/24/92/03/838249203.db2.gz PCUMXCLHHXOIDN-UHFFFAOYSA-N 1 2 345.403 0.044 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2n[nH]c3c2CCCC3)C1 ZINC001267688567 838252945 /nfs/dbraw/zinc/25/29/45/838252945.db2.gz OAFGUXLUCNFQIX-UHFFFAOYSA-N 1 2 331.420 0.252 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2ccn(C)c2CC)C1 ZINC001267692290 838266573 /nfs/dbraw/zinc/26/65/73/838266573.db2.gz ASTLGYWZOXDQQR-CYBMUJFWSA-N 1 2 330.432 0.387 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2cc(C3CC3)no2)C1 ZINC001267693709 838274173 /nfs/dbraw/zinc/27/41/73/838274173.db2.gz ODRZUVGDOWTCMV-NSHDSACASA-N 1 2 330.388 0.352 20 30 ECEDLO CNC(=O)C1(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)CC1 ZINC001267694437 838280595 /nfs/dbraw/zinc/28/05/95/838280595.db2.gz KHDJDVFETBAITC-UHFFFAOYSA-N 1 2 343.402 0.751 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001267699474 838294681 /nfs/dbraw/zinc/29/46/81/838294681.db2.gz UIPIQEYECIBFDN-CYBMUJFWSA-N 1 2 331.391 0.727 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1c(C)nn(C)c1C ZINC001267706780 838312676 /nfs/dbraw/zinc/31/26/76/838312676.db2.gz SFMZKOYARMOHSI-HOTGVXAUSA-N 1 2 346.431 0.351 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1c(C)nn(C)c1C ZINC001267706780 838312684 /nfs/dbraw/zinc/31/26/84/838312684.db2.gz SFMZKOYARMOHSI-HOTGVXAUSA-N 1 2 346.431 0.351 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2cccnc2)C1 ZINC001267725511 838396769 /nfs/dbraw/zinc/39/67/69/838396769.db2.gz PVKRHQRKEHRNPT-HNNXBMFYSA-N 1 2 328.416 0.299 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2cccnc2)C1 ZINC001267725511 838396774 /nfs/dbraw/zinc/39/67/74/838396774.db2.gz PVKRHQRKEHRNPT-HNNXBMFYSA-N 1 2 328.416 0.299 20 30 ECEDLO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2nnn(C)c2C(F)(F)F)C1 ZINC001267730975 838418095 /nfs/dbraw/zinc/41/80/95/838418095.db2.gz ILXBOBKYBGBSOS-JTQLQIEISA-N 1 2 345.325 0.288 20 30 ECEDLO COCC#CC[N@H+]1CC[C@H](NC(=O)c2nnn(C)c2C(F)(F)F)C1 ZINC001267730975 838418098 /nfs/dbraw/zinc/41/80/98/838418098.db2.gz ILXBOBKYBGBSOS-JTQLQIEISA-N 1 2 345.325 0.288 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cncnc2CC)C1 ZINC001267734787 838428908 /nfs/dbraw/zinc/42/89/08/838428908.db2.gz ZDPDGTAEVUZADZ-STQMWFEESA-N 1 2 331.420 0.534 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cncnc2CC)C1 ZINC001267734787 838428914 /nfs/dbraw/zinc/42/89/14/838428914.db2.gz ZDPDGTAEVUZADZ-STQMWFEESA-N 1 2 331.420 0.534 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2cncnc2CC)C1 ZINC001267734786 838429148 /nfs/dbraw/zinc/42/91/48/838429148.db2.gz ZDPDGTAEVUZADZ-OLZOCXBDSA-N 1 2 331.420 0.534 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cncnc2CC)C1 ZINC001267734786 838429150 /nfs/dbraw/zinc/42/91/50/838429150.db2.gz ZDPDGTAEVUZADZ-OLZOCXBDSA-N 1 2 331.420 0.534 20 30 ECEDLO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001267741165 838442319 /nfs/dbraw/zinc/44/23/19/838442319.db2.gz LSYASYLFNAUILF-GXTWGEPZSA-N 1 2 348.447 0.603 20 30 ECEDLO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001267741165 838442325 /nfs/dbraw/zinc/44/23/25/838442325.db2.gz LSYASYLFNAUILF-GXTWGEPZSA-N 1 2 348.447 0.603 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)CCO3)C1 ZINC001267749276 838465562 /nfs/dbraw/zinc/46/55/62/838465562.db2.gz KGBRWVULRGRBEJ-OAHLLOKOSA-N 1 2 329.400 0.728 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)CCO3)C1 ZINC001267749276 838465567 /nfs/dbraw/zinc/46/55/67/838465567.db2.gz KGBRWVULRGRBEJ-OAHLLOKOSA-N 1 2 329.400 0.728 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cncc(F)c2)C1 ZINC001267783377 838556867 /nfs/dbraw/zinc/55/68/67/838556867.db2.gz AUCHPNCJNQXYDD-OAHLLOKOSA-N 1 2 332.379 0.507 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cncc(F)c2)C1 ZINC001267783377 838556875 /nfs/dbraw/zinc/55/68/75/838556875.db2.gz AUCHPNCJNQXYDD-OAHLLOKOSA-N 1 2 332.379 0.507 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)C3CC3)C2)nn1 ZINC001105205510 838769109 /nfs/dbraw/zinc/76/91/09/838769109.db2.gz SSVCJWOFPCFFJV-ZDUSSCGKSA-N 1 2 331.420 0.447 20 30 ECEDLO C=CCOCC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)CCO1 ZINC001268018246 838985910 /nfs/dbraw/zinc/98/59/10/838985910.db2.gz IXDBJAZQGLXPTA-IAGOWNOFSA-N 1 2 334.416 0.740 20 30 ECEDLO C=CCOCC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)CCO1 ZINC001268018246 838985919 /nfs/dbraw/zinc/98/59/19/838985919.db2.gz IXDBJAZQGLXPTA-IAGOWNOFSA-N 1 2 334.416 0.740 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)COCc2ccc(OC)nc2)C1 ZINC001268024301 839013391 /nfs/dbraw/zinc/01/33/91/839013391.db2.gz BVUXUJGGQUYHLA-MRXNPFEDSA-N 1 2 349.431 1.000 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)COCc2ccc(OC)nc2)C1 ZINC001268024301 839013399 /nfs/dbraw/zinc/01/33/99/839013399.db2.gz BVUXUJGGQUYHLA-MRXNPFEDSA-N 1 2 349.431 1.000 20 30 ECEDLO C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(CC)nn2C)C1 ZINC001268031059 839056580 /nfs/dbraw/zinc/05/65/80/839056580.db2.gz YXKYBVWGFFWJIC-HNNXBMFYSA-N 1 2 336.436 0.616 20 30 ECEDLO C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)c2cc(CC)nn2C)C1 ZINC001268031059 839056592 /nfs/dbraw/zinc/05/65/92/839056592.db2.gz YXKYBVWGFFWJIC-HNNXBMFYSA-N 1 2 336.436 0.616 20 30 ECEDLO N#CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)c1ccccc1)CC2 ZINC001268041860 839186119 /nfs/dbraw/zinc/18/61/19/839186119.db2.gz FVAMACWAEQPARI-UHFFFAOYSA-N 1 2 326.400 0.864 20 30 ECEDLO Cc1cc(C(=O)N2CCC3(C[NH+](CC(=O)NCC#N)C3)CC2)ns1 ZINC001268043649 839195438 /nfs/dbraw/zinc/19/54/38/839195438.db2.gz NNUWXNCHVQPGIR-UHFFFAOYSA-N 1 2 347.444 0.629 20 30 ECEDLO N#CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)CC1CCOCC1)CC2 ZINC001268043988 839200612 /nfs/dbraw/zinc/20/06/12/839200612.db2.gz QMKIIZKHZJJZFO-UHFFFAOYSA-N 1 2 348.447 0.367 20 30 ECEDLO C=CC[NH+]1CC2(C1)CCN(C(=O)CS(=O)(=O)CCOC)CC2 ZINC001268044487 839201926 /nfs/dbraw/zinc/20/19/26/839201926.db2.gz DVJQZGHDZQSBST-UHFFFAOYSA-N 1 2 330.450 0.158 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNCc1nn(CC)nc1C ZINC001268068831 839260014 /nfs/dbraw/zinc/26/00/14/839260014.db2.gz OXUASWQLFXCENN-YOEHRIQHSA-N 1 2 346.479 0.641 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNCc1nn(CC)nc1C ZINC001268068831 839260020 /nfs/dbraw/zinc/26/00/20/839260020.db2.gz OXUASWQLFXCENN-YOEHRIQHSA-N 1 2 346.479 0.641 20 30 ECEDLO CN1CCOC[C@H]1C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000981014846 839340239 /nfs/dbraw/zinc/34/02/39/839340239.db2.gz UOOUUNDBQVUHSH-IBGZPJMESA-N 1 2 341.455 0.903 20 30 ECEDLO CN1CCOC[C@H]1C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000981014846 839340252 /nfs/dbraw/zinc/34/02/52/839340252.db2.gz UOOUUNDBQVUHSH-IBGZPJMESA-N 1 2 341.455 0.903 20 30 ECEDLO Cn1c(=O)/c(=C/c2ccc(N3CCCC3)[nH+]c2)sc1=C(C#N)C#N ZINC000152521947 282554890 /nfs/dbraw/zinc/55/48/90/282554890.db2.gz QEQCBEKOAZBDEW-ZSOIEALJSA-N 1 2 337.408 0.469 20 30 ECEDLO C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)C1 ZINC000328726815 283023474 /nfs/dbraw/zinc/02/34/74/283023474.db2.gz ZVEBICHIKNFAQZ-ZNMIVQPWSA-N 1 2 341.452 0.388 20 30 ECEDLO C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)C1 ZINC000328726815 283023475 /nfs/dbraw/zinc/02/34/75/283023475.db2.gz ZVEBICHIKNFAQZ-ZNMIVQPWSA-N 1 2 341.452 0.388 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)C[C@H]1C ZINC000246088817 243195284 /nfs/dbraw/zinc/19/52/84/243195284.db2.gz JHAQPCLRHSYOCQ-KGLIPLIRSA-N 1 2 337.445 0.775 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)C[C@H]1C ZINC000246088817 243195289 /nfs/dbraw/zinc/19/52/89/243195289.db2.gz JHAQPCLRHSYOCQ-KGLIPLIRSA-N 1 2 337.445 0.775 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC2(Cl)Cl)CC1 ZINC000264937553 247063923 /nfs/dbraw/zinc/06/39/23/247063923.db2.gz VAZQZPBMHLWFGE-LLVKDONJSA-N 1 2 332.231 0.464 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC2(Cl)Cl)CC1 ZINC000264937553 247063925 /nfs/dbraw/zinc/06/39/25/247063925.db2.gz VAZQZPBMHLWFGE-LLVKDONJSA-N 1 2 332.231 0.464 20 30 ECEDLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000447404787 211188387 /nfs/dbraw/zinc/18/83/87/211188387.db2.gz UVTZPJAPPPXFCF-DJIMGWMZSA-N 1 2 347.415 0.430 20 30 ECEDLO COCCO[C@@H]1C[C@@H](CO)C[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000447404787 211188391 /nfs/dbraw/zinc/18/83/91/211188391.db2.gz UVTZPJAPPPXFCF-DJIMGWMZSA-N 1 2 347.415 0.430 20 30 ECEDLO CCOCC[NH+]1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000268588263 252046800 /nfs/dbraw/zinc/04/68/00/252046800.db2.gz UNTAXLRMTGXTID-UHFFFAOYSA-N 1 2 330.384 0.948 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)C(=O)NCCCc2ccccc2)CC1 ZINC000264214140 533052890 /nfs/dbraw/zinc/05/28/90/533052890.db2.gz IMABQKLBNCASNH-UHFFFAOYSA-N 1 2 327.428 0.903 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000430693248 210397518 /nfs/dbraw/zinc/39/75/18/210397518.db2.gz GHYZAJMTHIXOMI-UHFFFAOYSA-N 1 2 343.431 0.768 20 30 ECEDLO C[C@H]([C@H](C)NC(=O)N1CCO[C@]2(CCO[C@@H]2C)C1)[NH+]1CCOCC1 ZINC000329904256 254621532 /nfs/dbraw/zinc/62/15/32/254621532.db2.gz IZMAXGHDJVZVSI-KLZNWCGWSA-N 1 2 341.452 0.889 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2ccsc2C(=O)OC)CC1 ZINC000491794722 254936024 /nfs/dbraw/zinc/93/60/24/254936024.db2.gz SCHSXBJHDYYHLK-UHFFFAOYSA-N 1 2 335.429 0.402 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2cc(C=O)ccc2[N+](=O)[O-])CC1 ZINC000491801320 254936514 /nfs/dbraw/zinc/93/65/14/254936514.db2.gz CATLAUGQFVQUTR-UHFFFAOYSA-N 1 2 331.328 0.564 20 30 ECEDLO C[C@H]1OC(=O)N[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000496757896 255127732 /nfs/dbraw/zinc/12/77/32/255127732.db2.gz MEGLZXZZWFXRHC-DOMZBBRYSA-N 1 2 328.372 0.699 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000496479658 255103272 /nfs/dbraw/zinc/10/32/72/255103272.db2.gz IGQGDWGBFQRASY-ZIAGYGMSSA-N 1 2 339.436 0.692 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000496479658 255103274 /nfs/dbraw/zinc/10/32/74/255103274.db2.gz IGQGDWGBFQRASY-ZIAGYGMSSA-N 1 2 339.436 0.692 20 30 ECEDLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000187968681 263161121 /nfs/dbraw/zinc/16/11/21/263161121.db2.gz PGRQWPNZLKMYHN-NSHDSACASA-N 1 2 327.381 0.384 20 30 ECEDLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000269665849 263195406 /nfs/dbraw/zinc/19/54/06/263195406.db2.gz NFNVDOAHQQDRQJ-CYBMUJFWSA-N 1 2 342.852 0.736 20 30 ECEDLO COC(=O)CN(CC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1C#N ZINC000271722273 263325915 /nfs/dbraw/zinc/32/59/15/263325915.db2.gz KIIBNOCGNREOTK-UHFFFAOYSA-N 1 2 348.359 0.778 20 30 ECEDLO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(C)c2)CC1 ZINC000278080825 263814239 /nfs/dbraw/zinc/81/42/39/263814239.db2.gz UUMPOKNZHSUZPZ-HNNXBMFYSA-N 1 2 337.445 0.944 20 30 ECEDLO CCOCC[NH+]1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)CC1 ZINC000283874100 264162341 /nfs/dbraw/zinc/16/23/41/264162341.db2.gz GTLIVMHYHYTVFX-UHFFFAOYSA-N 1 2 344.415 0.355 20 30 ECEDLO N#Cc1ncn(CCNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)n1 ZINC000286623910 264411244 /nfs/dbraw/zinc/41/12/44/264411244.db2.gz POIBIEDVTHCYBP-UHFFFAOYSA-N 1 2 340.391 0.644 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)cc1 ZINC000332127754 270005671 /nfs/dbraw/zinc/00/56/71/270005671.db2.gz NLQQBGKYCKFEMX-MRXNPFEDSA-N 1 2 326.400 0.729 20 30 ECEDLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000331219657 270005763 /nfs/dbraw/zinc/00/57/63/270005763.db2.gz AZUARKGSFLARMF-NSHDSACASA-N 1 2 329.447 0.697 20 30 ECEDLO N#Cc1ncn(CCNC(=O)NCc2ccccc2-n2cc[nH+]c2)n1 ZINC000376275238 270007735 /nfs/dbraw/zinc/00/77/35/270007735.db2.gz OQANSDVKPWAIEK-UHFFFAOYSA-N 1 2 336.359 0.835 20 30 ECEDLO COc1nccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)n1 ZINC000294744008 265020258 /nfs/dbraw/zinc/02/02/58/265020258.db2.gz HRIIJERRGJJBGK-LBPRGKRZSA-N 1 2 325.376 0.858 20 30 ECEDLO COc1nccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)n1 ZINC000294744008 265020261 /nfs/dbraw/zinc/02/02/61/265020261.db2.gz HRIIJERRGJJBGK-LBPRGKRZSA-N 1 2 325.376 0.858 20 30 ECEDLO CC[N@H+](CCOCCO)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289590446 266128197 /nfs/dbraw/zinc/12/81/97/266128197.db2.gz ZNAFWOZPBOOKLA-UHFFFAOYSA-N 1 2 327.406 0.058 20 30 ECEDLO CC[N@@H+](CCOCCO)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289590446 266128201 /nfs/dbraw/zinc/12/82/01/266128201.db2.gz ZNAFWOZPBOOKLA-UHFFFAOYSA-N 1 2 327.406 0.058 20 30 ECEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352036529 267110078 /nfs/dbraw/zinc/11/00/78/267110078.db2.gz HIRQXDUVQPJMHM-XYPHTWIQSA-N 1 2 328.416 0.880 20 30 ECEDLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC1 ZINC000295174653 267190970 /nfs/dbraw/zinc/19/09/70/267190970.db2.gz QNFXCWSRUATYIE-LBPRGKRZSA-N 1 2 341.408 0.526 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cscc1C#N ZINC000529754876 267329944 /nfs/dbraw/zinc/32/99/44/267329944.db2.gz XFUYELGKMIOPJL-INIZCTEOSA-N 1 2 335.429 0.965 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cscc1C#N ZINC000529754876 267329948 /nfs/dbraw/zinc/32/99/48/267329948.db2.gz XFUYELGKMIOPJL-INIZCTEOSA-N 1 2 335.429 0.965 20 30 ECEDLO N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)nc1 ZINC000340117562 268132179 /nfs/dbraw/zinc/13/21/79/268132179.db2.gz IWLLSZRTZOLABF-CQSZACIVSA-N 1 2 337.339 0.967 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](N3CCCC3=O)C2)nc1 ZINC000289931038 268188643 /nfs/dbraw/zinc/18/86/43/268188643.db2.gz OGZLDZKQWBXQGS-AWEZNQCLSA-N 1 2 348.428 0.424 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](N3CCCC3=O)C2)nc1 ZINC000289931038 268188646 /nfs/dbraw/zinc/18/86/46/268188646.db2.gz OGZLDZKQWBXQGS-AWEZNQCLSA-N 1 2 348.428 0.424 20 30 ECEDLO N#Cc1cccc(CN2CC[NH+](CC(=O)N3CCOCC3)CC2)c1F ZINC000332538358 268248002 /nfs/dbraw/zinc/24/80/02/268248002.db2.gz BAPBXNMXMOBLGW-UHFFFAOYSA-N 1 2 346.406 0.674 20 30 ECEDLO N#Cc1cccc(CNC(=O)C[NH+]2CCN(c3cccnn3)CC2)c1 ZINC000337697056 268251010 /nfs/dbraw/zinc/25/10/10/268251010.db2.gz YQKALJSRZGJGSG-UHFFFAOYSA-N 1 2 336.399 0.787 20 30 ECEDLO N#Cc1ncccc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000375436693 268330377 /nfs/dbraw/zinc/33/03/77/268330377.db2.gz GZWVWOAKMDEEIL-OLZOCXBDSA-N 1 2 336.417 0.485 20 30 ECEDLO N#Cc1ncccc1S(=O)(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000375436693 268330380 /nfs/dbraw/zinc/33/03/80/268330380.db2.gz GZWVWOAKMDEEIL-OLZOCXBDSA-N 1 2 336.417 0.485 20 30 ECEDLO C=C[C@@H](CO)NC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000461184521 276914388 /nfs/dbraw/zinc/91/43/88/276914388.db2.gz FTIYORVNCCRTSF-NORZTCDRSA-N 1 2 347.419 0.461 20 30 ECEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000249276354 278158749 /nfs/dbraw/zinc/15/87/49/278158749.db2.gz DCVFIMVTNPHHBY-OUAUKWLOSA-N 1 2 335.429 0.863 20 30 ECEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@H](O)C[C@H]1CO ZINC000249276354 278158750 /nfs/dbraw/zinc/15/87/50/278158750.db2.gz DCVFIMVTNPHHBY-OUAUKWLOSA-N 1 2 335.429 0.863 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000352598815 289238333 /nfs/dbraw/zinc/23/83/33/289238333.db2.gz ZLQLGFTUZWWZHK-HZSPNIEDSA-N 1 2 330.454 0.118 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(F)c2)[C@@H](C)C[N@@H+]1CCO ZINC000416660027 297062501 /nfs/dbraw/zinc/06/25/01/297062501.db2.gz IDNHQXKFAFPZRE-NEPJUHHUSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(F)c2)[C@@H](C)C[N@H+]1CCO ZINC000416660027 297062503 /nfs/dbraw/zinc/06/25/03/297062503.db2.gz IDNHQXKFAFPZRE-NEPJUHHUSA-N 1 2 341.408 0.773 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000072828873 436058026 /nfs/dbraw/zinc/05/80/26/436058026.db2.gz JLLZXMPKYUHQNE-CQSZACIVSA-N 1 2 339.461 0.896 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000072828873 436058034 /nfs/dbraw/zinc/05/80/34/436058034.db2.gz JLLZXMPKYUHQNE-CQSZACIVSA-N 1 2 339.461 0.896 20 30 ECEDLO Cc1oc(NC(=O)CN2CC[NH+](CC(=O)N(C)C)CC2)c(C#N)c1C ZINC000021307889 436113524 /nfs/dbraw/zinc/11/35/24/436113524.db2.gz KCRXIRCYGFECAA-UHFFFAOYSA-N 1 2 347.419 0.412 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(=O)n3ccccc3n2)CC1 ZINC000027559913 436179242 /nfs/dbraw/zinc/17/92/42/436179242.db2.gz FCSFOZYCWSVQCA-UHFFFAOYSA-N 1 2 341.415 0.114 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1 ZINC000027559913 436179247 /nfs/dbraw/zinc/17/92/47/436179247.db2.gz FCSFOZYCWSVQCA-UHFFFAOYSA-N 1 2 341.415 0.114 20 30 ECEDLO CC[C@H](C)NC(=O)CN1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000079031511 436286443 /nfs/dbraw/zinc/28/64/43/436286443.db2.gz PVAJBONLXPQHEH-GJZGRUSLSA-N 1 2 337.468 0.279 20 30 ECEDLO C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000078256178 436262399 /nfs/dbraw/zinc/26/23/99/436262399.db2.gz IOWCXRCWNAORMI-LBPRGKRZSA-N 1 2 342.403 0.452 20 30 ECEDLO CCn1nc2c(cc1=O)C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000078614544 436272800 /nfs/dbraw/zinc/27/28/00/436272800.db2.gz WEKXJNBNNGBUQF-QGZVFWFLSA-N 1 2 331.420 0.676 20 30 ECEDLO CCn1nc2c(cc1=O)C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000078614544 436272804 /nfs/dbraw/zinc/27/28/04/436272804.db2.gz WEKXJNBNNGBUQF-QGZVFWFLSA-N 1 2 331.420 0.676 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)CC(=O)NCc1cccnc1 ZINC000081515441 436348882 /nfs/dbraw/zinc/34/88/82/436348882.db2.gz TYEGWXHCLSAVTD-UHFFFAOYSA-N 1 2 331.420 0.246 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2cc(OC)ccc2OC)CC1 ZINC000042331662 436301252 /nfs/dbraw/zinc/30/12/52/436301252.db2.gz IITURLFBQDHEAQ-OAHLLOKOSA-N 1 2 345.443 0.959 20 30 ECEDLO C#CCNC(=O)[C@@H](C)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000042331662 436301257 /nfs/dbraw/zinc/30/12/57/436301257.db2.gz IITURLFBQDHEAQ-OAHLLOKOSA-N 1 2 345.443 0.959 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC000079844540 436305744 /nfs/dbraw/zinc/30/57/44/436305744.db2.gz KJSRRXUKTUOGOB-CQSZACIVSA-N 1 2 331.420 0.589 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000081648467 436353521 /nfs/dbraw/zinc/35/35/21/436353521.db2.gz FFVRYZVDDHZJQG-GOSISDBHSA-N 1 2 345.418 0.976 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2ccc3ccc(OC)cc3c2=O)CC1 ZINC000092333237 436469984 /nfs/dbraw/zinc/46/99/84/436469984.db2.gz RUICAJBYFBKNKN-UHFFFAOYSA-N 1 2 339.395 0.788 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(C#N)o2)CC1 ZINC000093057072 436481400 /nfs/dbraw/zinc/48/14/00/436481400.db2.gz QKNVUCKGIXDGJW-CQSZACIVSA-N 1 2 334.420 0.810 20 30 ECEDLO CC(C)NC(=O)C(=O)N1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000051153109 436484044 /nfs/dbraw/zinc/48/40/44/436484044.db2.gz FRRAEEXHFYHSOS-UHFFFAOYSA-N 1 2 344.415 0.606 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000060466406 436633033 /nfs/dbraw/zinc/63/30/33/436633033.db2.gz RABPNQQVKXWACB-UHFFFAOYSA-N 1 2 328.416 0.857 20 30 ECEDLO NC(CN1CCOCC1)=[NH+]OCC(=O)N1CCc2ccccc2C1 ZINC000111182008 436629142 /nfs/dbraw/zinc/62/91/42/436629142.db2.gz MAMIEAQXJXJNOH-UHFFFAOYSA-N 1 2 332.404 0.192 20 30 ECEDLO NC(CN1CCOCC1)=[NH+]OCC(=O)N(Cc1ccccc1)C1CC1 ZINC000111181698 436629639 /nfs/dbraw/zinc/62/96/39/436629639.db2.gz WSEDBCQYYGCAQK-UHFFFAOYSA-N 1 2 346.431 0.799 20 30 ECEDLO CC[N@@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)C[C@H](C)C#N ZINC000064249061 436648044 /nfs/dbraw/zinc/64/80/44/436648044.db2.gz NABPVDIBNZVEIT-CYBMUJFWSA-N 1 2 332.404 0.648 20 30 ECEDLO CC[N@H+](CC(=O)NCc1ccc(OCC(N)=O)cc1)C[C@H](C)C#N ZINC000064249061 436648045 /nfs/dbraw/zinc/64/80/45/436648045.db2.gz NABPVDIBNZVEIT-CYBMUJFWSA-N 1 2 332.404 0.648 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC000115604671 436647799 /nfs/dbraw/zinc/64/77/99/436647799.db2.gz KMONFOZQOPLEOA-VXGBXAGGSA-N 1 2 343.391 0.713 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065209176 436653281 /nfs/dbraw/zinc/65/32/81/436653281.db2.gz SAMKCXHHVRFLCB-UHFFFAOYSA-N 1 2 348.403 0.893 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(O)c(C)c2)CC1 ZINC000272378179 436714676 /nfs/dbraw/zinc/71/46/76/436714676.db2.gz FIWFUQXFDLOCGM-UHFFFAOYSA-N 1 2 329.400 0.598 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(O)c(C)c2)CC1 ZINC000272378179 436714680 /nfs/dbraw/zinc/71/46/80/436714680.db2.gz FIWFUQXFDLOCGM-UHFFFAOYSA-N 1 2 329.400 0.598 20 30 ECEDLO C=CCNC(=O)CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000272245088 436710507 /nfs/dbraw/zinc/71/05/07/436710507.db2.gz KFQRVTHIKHRSSJ-INIZCTEOSA-N 1 2 346.431 0.489 20 30 ECEDLO C=CCNC(=O)CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000272245088 436710508 /nfs/dbraw/zinc/71/05/08/436710508.db2.gz KFQRVTHIKHRSSJ-INIZCTEOSA-N 1 2 346.431 0.489 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)CC(=O)N1CCC(C(=O)OCC)CC1 ZINC000270697889 436674370 /nfs/dbraw/zinc/67/43/70/436674370.db2.gz DUIWDTONGCHIPQ-ZDUSSCGKSA-N 1 2 339.436 0.411 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+](C)CC(=O)N1CCC(C(=O)OCC)CC1 ZINC000270697889 436674374 /nfs/dbraw/zinc/67/43/74/436674374.db2.gz DUIWDTONGCHIPQ-ZDUSSCGKSA-N 1 2 339.436 0.411 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+](CC)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000270677580 436674887 /nfs/dbraw/zinc/67/48/87/436674887.db2.gz BWBMZXRXEWMWHX-CYBMUJFWSA-N 1 2 345.399 0.856 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000270677580 436674891 /nfs/dbraw/zinc/67/48/91/436674891.db2.gz BWBMZXRXEWMWHX-CYBMUJFWSA-N 1 2 345.399 0.856 20 30 ECEDLO C[C@@](O)(CNC(=O)c1c(F)cc(C#N)cc1F)C[NH+]1CCOCC1 ZINC000121652167 436720104 /nfs/dbraw/zinc/72/01/04/436720104.db2.gz AJNSKCYTSRZHKQ-MRXNPFEDSA-N 1 2 339.342 0.649 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+](CCC(=O)OC)CC(OC)OC ZINC000272744448 436720595 /nfs/dbraw/zinc/72/05/95/436720595.db2.gz IVTLLVPKYKOXSL-UHFFFAOYSA-N 1 2 330.425 0.895 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CCC(=O)OC)CC(OC)OC ZINC000272744448 436720599 /nfs/dbraw/zinc/72/05/99/436720599.db2.gz IVTLLVPKYKOXSL-UHFFFAOYSA-N 1 2 330.425 0.895 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000272963684 436731607 /nfs/dbraw/zinc/73/16/07/436731607.db2.gz LYTZXRCCMFWXJU-ZDUSSCGKSA-N 1 2 338.433 0.560 20 30 ECEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1 ZINC000152559986 436735745 /nfs/dbraw/zinc/73/57/45/436735745.db2.gz CKIMORCOADACMU-OAHLLOKOSA-N 1 2 330.388 0.661 20 30 ECEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1 ZINC000152559986 436735749 /nfs/dbraw/zinc/73/57/49/436735749.db2.gz CKIMORCOADACMU-OAHLLOKOSA-N 1 2 330.388 0.661 20 30 ECEDLO CN(CC#N)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000068972016 436759097 /nfs/dbraw/zinc/75/90/97/436759097.db2.gz WAGSXLLZRAVYAF-UHFFFAOYSA-N 1 2 328.416 0.721 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCN(CC(F)F)[C@H](CC)C2)CC1 ZINC000153588954 436759904 /nfs/dbraw/zinc/75/99/04/436759904.db2.gz DSNQNEDGYSKDBX-OAHLLOKOSA-N 1 2 342.434 0.425 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCN(CC(F)F)[C@H](CC)C2)CC1 ZINC000153588954 436759906 /nfs/dbraw/zinc/75/99/06/436759906.db2.gz DSNQNEDGYSKDBX-OAHLLOKOSA-N 1 2 342.434 0.425 20 30 ECEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCOCCO)CC1=O ZINC000153972804 436767998 /nfs/dbraw/zinc/76/79/98/436767998.db2.gz QHOHNDVWNMQYSX-UHFFFAOYSA-N 1 2 330.388 0.655 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000274217482 436807823 /nfs/dbraw/zinc/80/78/23/436807823.db2.gz ASSBUQTYUJJWPP-UHFFFAOYSA-N 1 2 341.371 0.728 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000274217482 436807825 /nfs/dbraw/zinc/80/78/25/436807825.db2.gz ASSBUQTYUJJWPP-UHFFFAOYSA-N 1 2 341.371 0.728 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)CC1 ZINC000128251126 436813623 /nfs/dbraw/zinc/81/36/23/436813623.db2.gz GFUCSJHVVJVGQA-UHFFFAOYSA-N 1 2 327.306 0.645 20 30 ECEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N1CCN(c2ncccn2)CC1 ZINC000245736015 436768962 /nfs/dbraw/zinc/76/89/62/436768962.db2.gz DBPSTDXHOXEEFP-LSDHHAIUSA-N 1 2 330.436 0.995 20 30 ECEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N1CCN(c2ncccn2)CC1 ZINC000245736015 436768964 /nfs/dbraw/zinc/76/89/64/436768964.db2.gz DBPSTDXHOXEEFP-LSDHHAIUSA-N 1 2 330.436 0.995 20 30 ECEDLO C[C@H](Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N(C)CCC#N ZINC000273952111 436790003 /nfs/dbraw/zinc/79/00/03/436790003.db2.gz MXVNCZWSUMONMU-AWEZNQCLSA-N 1 2 334.424 0.388 20 30 ECEDLO N#Cc1ccc(C(=O)NCC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000127578300 436804844 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ZINC000329944498 437434249 /nfs/dbraw/zinc/43/42/49/437434249.db2.gz FHEHJLMHQKTBOT-CZUORRHYSA-N 1 2 333.388 0.887 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(CC(=O)NCc3ccc4c(c3)OCO4)C[C@H]21 ZINC000329944498 437434254 /nfs/dbraw/zinc/43/42/54/437434254.db2.gz FHEHJLMHQKTBOT-CZUORRHYSA-N 1 2 333.388 0.887 20 30 ECEDLO C=CCCCNC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000289726366 437437054 /nfs/dbraw/zinc/43/70/54/437437054.db2.gz KDRVGGYZENMXDQ-ZDUSSCGKSA-N 1 2 325.409 0.165 20 30 ECEDLO C=CCCCNC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000289726366 437437055 /nfs/dbraw/zinc/43/70/55/437437055.db2.gz KDRVGGYZENMXDQ-ZDUSSCGKSA-N 1 2 325.409 0.165 20 30 ECEDLO CN(C)C(=O)c1cccc(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000329958724 437438644 /nfs/dbraw/zinc/43/86/44/437438644.db2.gz QTUNHMADHFFWQU-GJZGRUSLSA-N 1 2 332.404 0.949 20 30 ECEDLO CN(C)C(=O)c1cccc(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000329958724 437438647 /nfs/dbraw/zinc/43/86/47/437438647.db2.gz 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O=S1(=O)CCCC[C@@H]1C[NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1 ZINC000330191636 437466442 /nfs/dbraw/zinc/46/64/42/437466442.db2.gz NFQJKYZXIACZJR-NWDGAFQWSA-N 1 2 326.422 0.669 20 30 ECEDLO O=C(NCC[NH+]1CCOCC1)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000330197107 437467417 /nfs/dbraw/zinc/46/74/17/437467417.db2.gz RIXKCLVIILSRLH-CQSZACIVSA-N 1 2 327.425 0.550 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000330382863 437498866 /nfs/dbraw/zinc/49/88/66/437498866.db2.gz XQKPUNONQYOACK-AWEZNQCLSA-N 1 2 346.497 0.613 20 30 ECEDLO CC(C)C(=O)NC1CCN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000330403216 437502473 /nfs/dbraw/zinc/50/24/73/437502473.db2.gz LPGIALNJFUFLNF-CQSZACIVSA-N 1 2 340.468 0.858 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000330404244 437503408 /nfs/dbraw/zinc/50/34/08/437503408.db2.gz GZXIIGAVSJYZSS-CQSZACIVSA-N 1 2 346.497 0.755 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000330411541 437503888 /nfs/dbraw/zinc/50/38/88/437503888.db2.gz KKNUZXKNLRXMJA-MCIONIFRSA-N 1 2 332.470 0.554 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000330411541 437503895 /nfs/dbraw/zinc/50/38/95/437503895.db2.gz KKNUZXKNLRXMJA-MCIONIFRSA-N 1 2 332.470 0.554 20 30 ECEDLO CC(C)[C@@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)[NH+]1CCOCC1 ZINC000330427299 437508642 /nfs/dbraw/zinc/50/86/42/437508642.db2.gz WZFWQYWDDIAAHK-UONOGXRCSA-N 1 2 332.470 0.412 20 30 ECEDLO CC1(C)C[N@H+](CCNC(=O)N2CCC[C@H](CNC(N)=O)C2)CCO1 ZINC000330447499 437514758 /nfs/dbraw/zinc/51/47/58/437514758.db2.gz RQYLJQREKJYJTK-CYBMUJFWSA-N 1 2 341.456 0.806 20 30 ECEDLO CC1(C)C[N@@H+](CCNC(=O)N2CCC[C@H](CNC(N)=O)C2)CCO1 ZINC000330447499 437514762 /nfs/dbraw/zinc/51/47/62/437514762.db2.gz RQYLJQREKJYJTK-CYBMUJFWSA-N 1 2 341.456 0.806 20 30 ECEDLO C=CCCOCCNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000290681983 437514969 /nfs/dbraw/zinc/51/49/69/437514969.db2.gz VPMDAQUVIIEQDP-AWEZNQCLSA-N 1 2 332.404 0.485 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000330462463 437520949 /nfs/dbraw/zinc/52/09/49/437520949.db2.gz YRYDXJDMHJYWQT-ZFWWWQNUSA-N 1 2 344.481 0.302 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000330462463 437520955 /nfs/dbraw/zinc/52/09/55/437520955.db2.gz YRYDXJDMHJYWQT-ZFWWWQNUSA-N 1 2 344.481 0.302 20 30 ECEDLO C[C@H](OCC(=O)N(CCC#N)CC[NH+]1CCOCC1)c1nccn1C ZINC000354092433 437526131 /nfs/dbraw/zinc/52/61/31/437526131.db2.gz NYFBAYRGFNXVLC-HNNXBMFYSA-N 1 2 349.435 0.572 20 30 ECEDLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000188279475 437541114 /nfs/dbraw/zinc/54/11/14/437541114.db2.gz MXRWDZKMCVBQGZ-LLVKDONJSA-N 1 2 327.381 0.384 20 30 ECEDLO C[C@@H](CC#N)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000360290613 437578165 /nfs/dbraw/zinc/57/81/65/437578165.db2.gz DFKHPLOLDPHYDQ-LBPRGKRZSA-N 1 2 330.392 0.893 20 30 ECEDLO C[C@@H](O)C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)CO ZINC000190919230 437641485 /nfs/dbraw/zinc/64/14/85/437641485.db2.gz RVWXYQPWLKGTOS-QWHCGFSZSA-N 1 2 326.418 0.396 20 30 ECEDLO C[C@@H](O)C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)CO ZINC000190919230 437641490 /nfs/dbraw/zinc/64/14/90/437641490.db2.gz RVWXYQPWLKGTOS-QWHCGFSZSA-N 1 2 326.418 0.396 20 30 ECEDLO Cn1ncc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1C#N ZINC000354979996 437661443 /nfs/dbraw/zinc/66/14/43/437661443.db2.gz LSAPQHINLJYQRZ-OAHLLOKOSA-N 1 2 335.433 0.229 20 30 ECEDLO COC(=O)[C@@H]1CCN(C(=O)NC[C@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC000331012723 437670436 /nfs/dbraw/zinc/67/04/36/437670436.db2.gz KCCGHPYZQMQMQI-MELADBBJSA-N 1 2 327.425 0.752 20 30 ECEDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@H]2CCCSC2)CCO1 ZINC000331141731 437697531 /nfs/dbraw/zinc/69/75/31/437697531.db2.gz FTKUZDYCGQXYBX-NWDGAFQWSA-N 1 2 330.454 0.964 20 30 ECEDLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@H]2CCCSC2)CCO1 ZINC000331141731 437697538 /nfs/dbraw/zinc/69/75/38/437697538.db2.gz FTKUZDYCGQXYBX-NWDGAFQWSA-N 1 2 330.454 0.964 20 30 ECEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC000362034136 437712874 /nfs/dbraw/zinc/71/28/74/437712874.db2.gz FUSXCHROPCKXCD-UHFFFAOYSA-N 1 2 341.433 0.715 20 30 ECEDLO C=CC[N@H+](CCOC)CC(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC000362034136 437712879 /nfs/dbraw/zinc/71/28/79/437712879.db2.gz FUSXCHROPCKXCD-UHFFFAOYSA-N 1 2 341.433 0.715 20 30 ECEDLO Cn1c[nH+]cc1CS(=O)(=O)C[C@H](O)COc1ccc(C#N)cc1 ZINC000344039930 437723463 /nfs/dbraw/zinc/72/34/63/437723463.db2.gz BRZRESDMCITILJ-CQSZACIVSA-N 1 2 335.385 0.646 20 30 ECEDLO COC[C@@](C)(C#N)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000362882440 437760393 /nfs/dbraw/zinc/76/03/93/437760393.db2.gz GYSCEUODAFTUDG-CZUORRHYSA-N 1 2 335.408 0.528 20 30 ECEDLO COC[C@@](C)(C#N)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000362882440 437760395 /nfs/dbraw/zinc/76/03/95/437760395.db2.gz GYSCEUODAFTUDG-CZUORRHYSA-N 1 2 335.408 0.528 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000347009506 437825439 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438746635 /nfs/dbraw/zinc/74/66/35/438746635.db2.gz DBYUGKCVTCTOOJ-UHFFFAOYSA-N 1 2 348.428 0.024 20 30 ECEDLO C=C(CC)CNC(=O)N1CC[NH+]([C@H](C)C(=O)NCCCOC)CC1 ZINC000455522112 438747265 /nfs/dbraw/zinc/74/72/65/438747265.db2.gz LVASEYMHGNCCQC-OAHLLOKOSA-N 1 2 340.468 0.821 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000576707672 438795436 /nfs/dbraw/zinc/79/54/36/438795436.db2.gz XNULBNMAJWZXLY-KRWDZBQOSA-N 1 2 343.362 0.945 20 30 ECEDLO C=CCN(CC=C)C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000554054860 438760550 /nfs/dbraw/zinc/76/05/50/438760550.db2.gz HAMILCPIRCQRIJ-JKSUJKDBSA-N 1 2 335.448 0.947 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456214475 438762938 /nfs/dbraw/zinc/76/29/38/438762938.db2.gz JWLRSVORJUIMJU-GASCZTMLSA-N 1 2 345.399 0.925 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456214475 438762941 /nfs/dbraw/zinc/76/29/41/438762941.db2.gz JWLRSVORJUIMJU-GASCZTMLSA-N 1 2 345.399 0.925 20 30 ECEDLO C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCCCn2cc[nH+]c2)C1=O ZINC000560308323 438838329 /nfs/dbraw/zinc/83/83/29/438838329.db2.gz JJVIEYQUYABIMQ-AWEZNQCLSA-N 1 2 347.419 0.025 20 30 ECEDLO N#Cc1ccc(-c2cc(N3CC[NH+]([C@@H]4CCNC4=O)CC3)n[nH]2)cc1 ZINC000595727086 438848848 /nfs/dbraw/zinc/84/88/48/438848848.db2.gz WJFYHWVXPRTOQC-MRXNPFEDSA-N 1 2 336.399 0.959 20 30 ECEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O ZINC000595788617 438860401 /nfs/dbraw/zinc/86/04/01/438860401.db2.gz ZPUPBJWXSUDMLU-IMJJTQAJSA-N 1 2 336.413 0.811 20 30 ECEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O ZINC000595788617 438860403 /nfs/dbraw/zinc/86/04/03/438860403.db2.gz ZPUPBJWXSUDMLU-IMJJTQAJSA-N 1 2 336.413 0.811 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@](C)(C#N)C3)CC2)o1 ZINC000595840258 438867438 /nfs/dbraw/zinc/86/74/38/438867438.db2.gz MMNJMHOSLAJMRA-QGZVFWFLSA-N 1 2 342.403 0.739 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@](C)(C#N)C3)CC2)o1 ZINC000595840258 438867441 /nfs/dbraw/zinc/86/74/41/438867441.db2.gz MMNJMHOSLAJMRA-QGZVFWFLSA-N 1 2 342.403 0.739 20 30 ECEDLO CCn1c2ccccc2n(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1=O ZINC000565051872 438909398 /nfs/dbraw/zinc/90/93/98/438909398.db2.gz RUCLGNVGSBZWKZ-KRWDZBQOSA-N 1 2 329.404 0.783 20 30 ECEDLO C=CCN1CC[C@H](N(C)c2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)C1=O ZINC000516631145 438917997 /nfs/dbraw/zinc/91/79/97/438917997.db2.gz FXXYJWUZTNAHMD-KFWWJZLASA-N 1 2 345.447 0.907 20 30 ECEDLO C=CCN1CC[C@H](N(C)c2cc(N3CC[C@@H]([C@@H](C)O)C3)nc[nH+]2)C1=O ZINC000516631145 438917998 /nfs/dbraw/zinc/91/79/98/438917998.db2.gz FXXYJWUZTNAHMD-KFWWJZLASA-N 1 2 345.447 0.907 20 30 ECEDLO C=CCN1CC[C@H](N(C)c2cc(N3CC[C@H]([C@@H](C)O)C3)[nH+]cn2)C1=O ZINC000516631144 438918780 /nfs/dbraw/zinc/91/87/80/438918780.db2.gz FXXYJWUZTNAHMD-ILXRZTDVSA-N 1 2 345.447 0.907 20 30 ECEDLO C=CCN1CC[C@H](N(C)c2cc(N3CC[C@H]([C@@H](C)O)C3)nc[nH+]2)C1=O ZINC000516631144 438918784 /nfs/dbraw/zinc/91/87/84/438918784.db2.gz FXXYJWUZTNAHMD-ILXRZTDVSA-N 1 2 345.447 0.907 20 30 ECEDLO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC000590442047 438923229 /nfs/dbraw/zinc/92/32/29/438923229.db2.gz FXIWLGGDVWALRK-HOTGVXAUSA-N 1 2 347.440 0.636 20 30 ECEDLO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC000590442047 438923235 /nfs/dbraw/zinc/92/32/35/438923235.db2.gz FXIWLGGDVWALRK-HOTGVXAUSA-N 1 2 347.440 0.636 20 30 ECEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@H](N3CCNC3=O)C2)cc1 ZINC000578544419 438934240 /nfs/dbraw/zinc/93/42/40/438934240.db2.gz GEAXBRKCNQOFDS-LSDHHAIUSA-N 1 2 327.388 0.574 20 30 ECEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@H](N3CCNC3=O)C2)cc1 ZINC000578544419 438934243 /nfs/dbraw/zinc/93/42/43/438934243.db2.gz GEAXBRKCNQOFDS-LSDHHAIUSA-N 1 2 327.388 0.574 20 30 ECEDLO N#CCCN1CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000601590178 438939079 /nfs/dbraw/zinc/93/90/79/438939079.db2.gz RTWHHEBRQNYXIS-HNNXBMFYSA-N 1 2 328.420 0.901 20 30 ECEDLO N#Cc1cccc([N+](=O)[O-])c1CN1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000459288090 438953675 /nfs/dbraw/zinc/95/36/75/438953675.db2.gz FZAOLQPNSQHETI-UHFFFAOYSA-N 1 2 343.387 0.863 20 30 ECEDLO N#Cc1cc(O)cc(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)c1 ZINC000590915459 438967111 /nfs/dbraw/zinc/96/71/11/438967111.db2.gz ZANQFHYMBZKREG-UHFFFAOYSA-N 1 2 345.399 0.875 20 30 ECEDLO COc1cccc(C(F)(F)CNC[C@@H](O)C[N@H+](C)CCC#N)n1 ZINC000578999697 438972586 /nfs/dbraw/zinc/97/25/86/438972586.db2.gz RMCAJPHZWOOYRP-GFCCVEGCSA-N 1 2 328.363 0.978 20 30 ECEDLO COc1cccc(C(F)(F)CNC[C@@H](O)C[N@@H+](C)CCC#N)n1 ZINC000578999697 438972589 /nfs/dbraw/zinc/97/25/89/438972589.db2.gz RMCAJPHZWOOYRP-GFCCVEGCSA-N 1 2 328.363 0.978 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCc1ccc(C#N)cc1 ZINC000596672092 438988629 /nfs/dbraw/zinc/98/86/29/438988629.db2.gz KXYDZEFDKNOFBW-QGZVFWFLSA-N 1 2 346.431 0.435 20 30 ECEDLO CC1(C)C[C@@]1(C#N)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000565985807 438992883 /nfs/dbraw/zinc/99/28/83/438992883.db2.gz WZLWHXPROUIZRV-KDOFPFPSSA-N 1 2 348.447 0.508 20 30 ECEDLO Cc1sc(NC(=O)C[N@H+](CCO)CCOCCO)c(C#N)c1C ZINC000459772685 438995768 /nfs/dbraw/zinc/99/57/68/438995768.db2.gz CAHHBRLWMYXQFW-UHFFFAOYSA-N 1 2 341.433 0.478 20 30 ECEDLO Cc1sc(NC(=O)C[N@@H+](CCO)CCOCCO)c(C#N)c1C ZINC000459772685 438995773 /nfs/dbraw/zinc/99/57/73/438995773.db2.gz CAHHBRLWMYXQFW-UHFFFAOYSA-N 1 2 341.433 0.478 20 30 ECEDLO C[NH+]1CCC(C#N)(NC(=O)[C@H](CS(C)(=O)=O)c2ccccc2)CC1 ZINC000597168394 439054148 /nfs/dbraw/zinc/05/41/48/439054148.db2.gz YQJHBPXHJGDDJY-OAHLLOKOSA-N 1 2 349.456 0.919 20 30 ECEDLO C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000566304857 439038854 /nfs/dbraw/zinc/03/88/54/439038854.db2.gz QYBIENSPKLTPRY-ZDUSSCGKSA-N 1 2 338.389 0.932 20 30 ECEDLO C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000566304857 439038857 /nfs/dbraw/zinc/03/88/57/439038857.db2.gz QYBIENSPKLTPRY-ZDUSSCGKSA-N 1 2 338.389 0.932 20 30 ECEDLO C[C@@H](C(=O)N1CCN(c2ccsc2C#N)CC1)N1CC[NH2+]CC1=O ZINC000602518503 439103700 /nfs/dbraw/zinc/10/37/00/439103700.db2.gz OZAYCKJUZHZYSE-LBPRGKRZSA-N 1 2 347.444 0.089 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000567119173 439116694 /nfs/dbraw/zinc/11/66/94/439116694.db2.gz NOPWZYATRRAZNK-YCPHGPKFSA-N 1 2 326.462 0.902 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000602326873 439065597 /nfs/dbraw/zinc/06/55/97/439065597.db2.gz GRXAATHSUSNBFR-VBQJREDUSA-N 1 2 336.436 0.594 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000602326873 439065603 /nfs/dbraw/zinc/06/56/03/439065603.db2.gz GRXAATHSUSNBFR-VBQJREDUSA-N 1 2 336.436 0.594 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2F)C[C@H](C)[N@H+]1CCO ZINC000566602519 439073311 /nfs/dbraw/zinc/07/33/11/439073311.db2.gz GLCHEOBATMWOFE-TXEJJXNPSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2F)C[C@H](C)[N@@H+]1CCO ZINC000566602519 439073314 /nfs/dbraw/zinc/07/33/14/439073314.db2.gz GLCHEOBATMWOFE-TXEJJXNPSA-N 1 2 341.408 0.773 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cn(C[C@H]2CCOC2)nn1 ZINC000602425893 439083238 /nfs/dbraw/zinc/08/32/38/439083238.db2.gz XTKRUHSFYYTKRU-MRXNPFEDSA-N 1 2 348.451 0.362 20 30 ECEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)C1 ZINC000592150639 439167895 /nfs/dbraw/zinc/16/78/95/439167895.db2.gz FNGFVRVAFPNSSU-KRWDZBQOSA-N 1 2 348.472 0.743 20 30 ECEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)C1 ZINC000592150639 439167899 /nfs/dbraw/zinc/16/78/99/439167899.db2.gz FNGFVRVAFPNSSU-KRWDZBQOSA-N 1 2 348.472 0.743 20 30 ECEDLO CCCn1nccc1NC(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000602781204 439135738 /nfs/dbraw/zinc/13/57/38/439135738.db2.gz ILQYTSVORDEFBQ-UHFFFAOYSA-N 1 2 348.451 0.779 20 30 ECEDLO COC(=O)[C@H](CC(C)C)NC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602855346 439144591 /nfs/dbraw/zinc/14/45/91/439144591.db2.gz GWAKXXHREVJSLC-KFWWJZLASA-N 1 2 338.452 0.608 20 30 ECEDLO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602866542 439146464 /nfs/dbraw/zinc/14/64/64/439146464.db2.gz VVIDMTHDOAJCKH-AXFHLTTASA-N 1 2 349.357 0.681 20 30 ECEDLO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602866542 439146466 /nfs/dbraw/zinc/14/64/66/439146466.db2.gz VVIDMTHDOAJCKH-AXFHLTTASA-N 1 2 349.357 0.681 20 30 ECEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000602862833 439146659 /nfs/dbraw/zinc/14/66/59/439146659.db2.gz KDJQSKWQJHVWBT-GXTWGEPZSA-N 1 2 327.450 0.836 20 30 ECEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000602862837 439147000 /nfs/dbraw/zinc/14/70/00/439147000.db2.gz KDJQSKWQJHVWBT-OCCSQVGLSA-N 1 2 327.450 0.836 20 30 ECEDLO C[C@@H](CC#N)[NH2+]CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000602862836 439147952 /nfs/dbraw/zinc/14/79/52/439147952.db2.gz KDJQSKWQJHVWBT-JSGCOSHPSA-N 1 2 327.450 0.836 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000602881251 439149839 /nfs/dbraw/zinc/14/98/39/439149839.db2.gz KRJMTDGZGFMSOT-NSHDSACASA-N 1 2 339.193 0.937 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000602881251 439149844 /nfs/dbraw/zinc/14/98/44/439149844.db2.gz KRJMTDGZGFMSOT-NSHDSACASA-N 1 2 339.193 0.937 20 30 ECEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000602910422 439157845 /nfs/dbraw/zinc/15/78/45/439157845.db2.gz YJHRZPHFAXNWFL-OAHLLOKOSA-N 1 2 343.387 0.938 20 30 ECEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000602910422 439157848 /nfs/dbraw/zinc/15/78/48/439157848.db2.gz YJHRZPHFAXNWFL-OAHLLOKOSA-N 1 2 343.387 0.938 20 30 ECEDLO Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)n1C ZINC000602939160 439163799 /nfs/dbraw/zinc/16/37/99/439163799.db2.gz ALICEOYLOMLJRN-SUMWQHHRSA-N 1 2 347.467 0.689 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000592207621 439182424 /nfs/dbraw/zinc/18/24/24/439182424.db2.gz KSIFIPNBFPWPNJ-YUTCNCBUSA-N 1 2 331.372 0.741 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000592207621 439182427 /nfs/dbraw/zinc/18/24/27/439182427.db2.gz KSIFIPNBFPWPNJ-YUTCNCBUSA-N 1 2 331.372 0.741 20 30 ECEDLO CCOC(=O)[C@@]1(C)C[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)CCO1 ZINC000603005968 439182974 /nfs/dbraw/zinc/18/29/74/439182974.db2.gz UHXDSIVAEZNQMM-GOEBONIOSA-N 1 2 340.420 0.712 20 30 ECEDLO CCOC(=O)[C@@]1(C)C[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)CCO1 ZINC000603005968 439182979 /nfs/dbraw/zinc/18/29/79/439182979.db2.gz UHXDSIVAEZNQMM-GOEBONIOSA-N 1 2 340.420 0.712 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000488804791 439202936 /nfs/dbraw/zinc/20/29/36/439202936.db2.gz WHSUXMLKEBKZKU-HNNXBMFYSA-N 1 2 335.452 0.826 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000488804791 439202941 /nfs/dbraw/zinc/20/29/41/439202941.db2.gz WHSUXMLKEBKZKU-HNNXBMFYSA-N 1 2 335.452 0.826 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)CNC(=O)c2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000597993219 439209841 /nfs/dbraw/zinc/20/98/41/439209841.db2.gz DOVYDCZOZPZQSQ-UONOGXRCSA-N 1 2 344.415 0.513 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)CNC(=O)c2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000597993219 439209845 /nfs/dbraw/zinc/20/98/45/439209845.db2.gz DOVYDCZOZPZQSQ-UONOGXRCSA-N 1 2 344.415 0.513 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000603208260 439210275 /nfs/dbraw/zinc/21/02/75/439210275.db2.gz GWYBMYXGRNLOQS-CQSZACIVSA-N 1 2 334.424 0.161 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](c3nnc[nH]3)C2)cc1 ZINC000581880719 439260515 /nfs/dbraw/zinc/26/05/15/439260515.db2.gz IZLKFKKSNBBSSL-ZDUSSCGKSA-N 1 2 331.401 0.940 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](c3nnc[nH]3)C2)cc1 ZINC000581880719 439260520 /nfs/dbraw/zinc/26/05/20/439260520.db2.gz IZLKFKKSNBBSSL-ZDUSSCGKSA-N 1 2 331.401 0.940 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000490669117 439284556 /nfs/dbraw/zinc/28/45/56/439284556.db2.gz FQDKCQNQIHGKCX-DLBZAZTESA-N 1 2 349.475 0.865 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000490669117 439284561 /nfs/dbraw/zinc/28/45/61/439284561.db2.gz FQDKCQNQIHGKCX-DLBZAZTESA-N 1 2 349.475 0.865 20 30 ECEDLO C#CC[N@@H+](C[C@H]1CC(C(=O)OC)=C(C)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000490921971 439312265 /nfs/dbraw/zinc/31/22/65/439312265.db2.gz BFMFVOVUXWNNCY-CHWSQXEVSA-N 1 2 327.402 0.345 20 30 ECEDLO C#CC[N@H+](C[C@H]1CC(C(=O)OC)=C(C)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000490921971 439312268 /nfs/dbraw/zinc/31/22/68/439312268.db2.gz BFMFVOVUXWNNCY-CHWSQXEVSA-N 1 2 327.402 0.345 20 30 ECEDLO C#CCN(CC)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000490947916 439315109 /nfs/dbraw/zinc/31/51/09/439315109.db2.gz BIHQLHGRIBZBJR-UHFFFAOYSA-N 1 2 329.404 0.956 20 30 ECEDLO C#CCN(CC#CC)C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000490934735 439316662 /nfs/dbraw/zinc/31/66/62/439316662.db2.gz KFLNQLJWIYACAN-OAHLLOKOSA-N 1 2 341.415 0.579 20 30 ECEDLO C#C[C@@H](NC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)C(C)C ZINC000490962084 439318461 /nfs/dbraw/zinc/31/84/61/439318461.db2.gz MDYVRVPGATTXPR-HZPDHXFCSA-N 1 2 334.464 0.982 20 30 ECEDLO C#CC[NH+]1CCN(CN2Cc3ccc(C(=O)OC)cc3C2=O)CC1 ZINC000491019884 439324826 /nfs/dbraw/zinc/32/48/26/439324826.db2.gz DCAQQHIVWNRZNF-UHFFFAOYSA-N 1 2 327.384 0.637 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+]([C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528335223 439329177 /nfs/dbraw/zinc/32/91/77/439329177.db2.gz AGQJLLGKDPGCIB-KRWDZBQOSA-N 1 2 348.491 0.840 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+](CC(=C)C)Cc2ccc(CO)o2)CC1 ZINC000491072954 439329978 /nfs/dbraw/zinc/32/99/78/439329978.db2.gz WMHDANYKAVOOFU-UHFFFAOYSA-N 1 2 345.443 0.927 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+](CC(=C)C)Cc2ccc(CO)o2)CC1 ZINC000491072954 439329982 /nfs/dbraw/zinc/32/99/82/439329982.db2.gz WMHDANYKAVOOFU-UHFFFAOYSA-N 1 2 345.443 0.927 20 30 ECEDLO CN1CC[C@H]([N@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)C1=O ZINC000528389991 439333033 /nfs/dbraw/zinc/33/30/33/439333033.db2.gz VRFZPLORQVEVTO-HNNXBMFYSA-N 1 2 325.368 0.449 20 30 ECEDLO CN1CC[C@H]([N@@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)C1=O ZINC000528389991 439333037 /nfs/dbraw/zinc/33/30/37/439333037.db2.gz VRFZPLORQVEVTO-HNNXBMFYSA-N 1 2 325.368 0.449 20 30 ECEDLO COCC(=O)NC1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000603882223 439287173 /nfs/dbraw/zinc/28/71/73/439287173.db2.gz GRUYWFVMJFBVHS-UHFFFAOYSA-N 1 2 336.417 0.785 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN([C@@H](CC)C(=O)OCC)C2CC2)CC1 ZINC000490712462 439289589 /nfs/dbraw/zinc/28/95/89/439289589.db2.gz FBKFEYSWDSIIQS-INIZCTEOSA-N 1 2 335.448 0.570 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCO[C@@H](c3cccc(F)c3)C2)CC1 ZINC000490739372 439293279 /nfs/dbraw/zinc/29/32/79/439293279.db2.gz DAOIVLFNIHXGHT-GOSISDBHSA-N 1 2 345.418 0.976 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+](CCOC)Cc2cccs2)CC1 ZINC000490780182 439297789 /nfs/dbraw/zinc/29/77/89/439297789.db2.gz FNBHEMWPCALSAQ-UHFFFAOYSA-N 1 2 335.473 0.974 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+](CCOC)Cc2cccs2)CC1 ZINC000490780182 439297794 /nfs/dbraw/zinc/29/77/94/439297794.db2.gz FNBHEMWPCALSAQ-UHFFFAOYSA-N 1 2 335.473 0.974 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CON=Cc2c(C)nc3sccn23)CC1 ZINC000490778333 439299241 /nfs/dbraw/zinc/29/92/41/439299241.db2.gz DOVSCBXNHJCMSC-UHFFFAOYSA-N 1 2 345.428 0.832 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2c3c(sc2=O)C[C@@H](C)CC3)CC1 ZINC000490800414 439300408 /nfs/dbraw/zinc/30/04/08/439300408.db2.gz QJERWFOVYVDFBO-ZDUSSCGKSA-N 1 2 333.457 0.812 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNC2(c3noc(C)n3)CCCCC2)CC1 ZINC000490838399 439302972 /nfs/dbraw/zinc/30/29/72/439302972.db2.gz BJEWWIYHAWYCFW-UHFFFAOYSA-N 1 2 345.447 0.904 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNC2(C(=O)OC)CCC(CC)CC2)CC1 ZINC000490866760 439304306 /nfs/dbraw/zinc/30/43/06/439304306.db2.gz TZRGCMZGFNIYAM-UHFFFAOYSA-N 1 2 349.475 0.865 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(S(=O)(=O)NC)o1 ZINC000490873802 439307900 /nfs/dbraw/zinc/30/79/00/439307900.db2.gz KGIAAGZUAWHADS-NSHDSACASA-N 1 2 326.374 0.442 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(S(=O)(=O)NC)o1 ZINC000490873802 439307904 /nfs/dbraw/zinc/30/79/04/439307904.db2.gz KGIAAGZUAWHADS-NSHDSACASA-N 1 2 326.374 0.442 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\c2ccc(C)nc2)CC1 ZINC000490915761 439311700 /nfs/dbraw/zinc/31/17/00/439311700.db2.gz PBRCELNLXWXDQR-FPLPWBNLSA-N 1 2 340.427 0.687 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\c2ccc(C)nc2)CC1 ZINC000490915761 439311702 /nfs/dbraw/zinc/31/17/02/439311702.db2.gz PBRCELNLXWXDQR-FPLPWBNLSA-N 1 2 340.427 0.687 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](Cc2cc(C(=O)OC)sc2C)CC1 ZINC000491314656 439366440 /nfs/dbraw/zinc/36/64/40/439366440.db2.gz HUZBQOMFKHNMED-UHFFFAOYSA-N 1 2 349.456 0.710 20 30 ECEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3ccc(C#N)nc3)C2)CC1 ZINC000528455359 439339457 /nfs/dbraw/zinc/33/94/57/439339457.db2.gz FYOVROZCWNILKK-KRWDZBQOSA-N 1 2 327.432 0.734 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](Cc2nnnn2Cc2ccccc2)CC1 ZINC000491153633 439340356 /nfs/dbraw/zinc/34/03/56/439340356.db2.gz BOFNVKDANAQMRO-UHFFFAOYSA-N 1 2 338.415 0.683 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2cc(C(=O)OC)sc2C)CC1 ZINC000491314656 439366443 /nfs/dbraw/zinc/36/64/43/439366443.db2.gz HUZBQOMFKHNMED-UHFFFAOYSA-N 1 2 349.456 0.710 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(c2cc(C(C)C)nc3ncnn32)CC1 ZINC000491166669 439343156 /nfs/dbraw/zinc/34/31/56/439343156.db2.gz TZRLUWBILRCVKR-UHFFFAOYSA-N 1 2 341.419 0.119 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCOc3ccc(C)cc3C2)CC1 ZINC000491179935 439344259 /nfs/dbraw/zinc/34/42/59/439344259.db2.gz IMCAQTHGDLIXFE-UHFFFAOYSA-N 1 2 327.428 0.967 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCOc3ccc(C)cc3C2)CC1 ZINC000491179935 439344264 /nfs/dbraw/zinc/34/42/64/439344264.db2.gz IMCAQTHGDLIXFE-UHFFFAOYSA-N 1 2 327.428 0.967 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000593155528 439349681 /nfs/dbraw/zinc/34/96/81/439349681.db2.gz ZDGPLAKONLJFSA-CXAGYDPISA-N 1 2 329.404 0.390 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000491210385 439349789 /nfs/dbraw/zinc/34/97/89/439349789.db2.gz SYPDWCXSHRQJJB-YESZJQIVSA-N 1 2 348.491 0.246 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000593155530 439349925 /nfs/dbraw/zinc/34/99/25/439349925.db2.gz ZDGPLAKONLJFSA-GUYCJALGSA-N 1 2 329.404 0.390 20 30 ECEDLO C#CCN1CCN(C(=O)C[NH+]2CCN(c3cncc(F)c3)CC2)CC1 ZINC000491210588 439350464 /nfs/dbraw/zinc/35/04/64/439350464.db2.gz WHVGFZSGQWFQKI-UHFFFAOYSA-N 1 2 345.422 0.120 20 30 ECEDLO N#Cc1ccncc1N1CC[NH+](CC(=O)NC2CCOCC2)CC1 ZINC000569651266 439350548 /nfs/dbraw/zinc/35/05/48/439350548.db2.gz UCQLMXOWMHHPSA-UHFFFAOYSA-N 1 2 329.404 0.370 20 30 ECEDLO C#CC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000491219921 439352095 /nfs/dbraw/zinc/35/20/95/439352095.db2.gz IMMVYFWKBIDHTC-JKSUJKDBSA-N 1 2 348.424 0.420 20 30 ECEDLO C#CC[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000491219921 439352099 /nfs/dbraw/zinc/35/20/99/439352099.db2.gz IMMVYFWKBIDHTC-JKSUJKDBSA-N 1 2 348.424 0.420 20 30 ECEDLO CCN1C(=O)CO[C@H](C(=O)N(C)C[C@H](C)C#N)[C@H]1c1[nH+]ccn1C ZINC000599142814 439367144 /nfs/dbraw/zinc/36/71/44/439367144.db2.gz WBRZYSUZNXYXOB-XBFCOCLRSA-N 1 2 333.392 0.327 20 30 ECEDLO N#C[C@]1(F)CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)C1 ZINC000599224911 439390523 /nfs/dbraw/zinc/39/05/23/439390523.db2.gz BZJZIXZXTULELT-DOTOQJQBSA-N 1 2 347.394 0.930 20 30 ECEDLO N#C[C@]1(F)CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)C1 ZINC000599224911 439390528 /nfs/dbraw/zinc/39/05/28/439390528.db2.gz BZJZIXZXTULELT-DOTOQJQBSA-N 1 2 347.394 0.930 20 30 ECEDLO C#CCN(C)C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000491513587 439395502 /nfs/dbraw/zinc/39/55/02/439395502.db2.gz DBHOHDYNQCLPEE-UHFFFAOYSA-N 1 2 334.464 0.986 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccnc3c2c(C)nn3C)CC1 ZINC000491635916 439417876 /nfs/dbraw/zinc/41/78/76/439417876.db2.gz UVJWLLBGFCGAIE-UHFFFAOYSA-N 1 2 327.388 0.433 20 30 ECEDLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccsc2C#N)CC[N@H+](C)C1 ZINC000593606159 439421074 /nfs/dbraw/zinc/42/10/74/439421074.db2.gz APNLHCHTKIRVFB-SNVBAGLBSA-N 1 2 343.430 0.345 20 30 ECEDLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccsc2C#N)CC[N@@H+](C)C1 ZINC000593606159 439421075 /nfs/dbraw/zinc/42/10/75/439421075.db2.gz APNLHCHTKIRVFB-SNVBAGLBSA-N 1 2 343.430 0.345 20 30 ECEDLO CCOC(=O)C[C@@H](O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000599313441 439427839 /nfs/dbraw/zinc/42/78/39/439427839.db2.gz YULRFXZDEJYVII-CHWSQXEVSA-N 1 2 333.392 0.173 20 30 ECEDLO CCOC(=O)C[C@@H](O)C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000599313441 439427842 /nfs/dbraw/zinc/42/78/42/439427842.db2.gz YULRFXZDEJYVII-CHWSQXEVSA-N 1 2 333.392 0.173 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000491694988 439429107 /nfs/dbraw/zinc/42/91/07/439429107.db2.gz WQYJJSIFEGMPEK-UHFFFAOYSA-N 1 2 333.344 0.760 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2nccc(C(F)(F)F)n2)CC1 ZINC000491712954 439431940 /nfs/dbraw/zinc/43/19/40/439431940.db2.gz YISAVBDXKXJMKZ-UHFFFAOYSA-N 1 2 328.294 0.652 20 30 ECEDLO N#Cc1cc(F)ccc1CS(=O)(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593651769 439435968 /nfs/dbraw/zinc/43/59/68/439435968.db2.gz QKMIATSLDQZUPX-OAHLLOKOSA-N 1 2 339.392 0.278 20 30 ECEDLO N#Cc1cc(F)ccc1CS(=O)(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593651769 439435974 /nfs/dbraw/zinc/43/59/74/439435974.db2.gz QKMIATSLDQZUPX-OAHLLOKOSA-N 1 2 339.392 0.278 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(O[C@@H]3CC(=O)N3)c2)CC1 ZINC000491745506 439439409 /nfs/dbraw/zinc/43/94/09/439439409.db2.gz XEDZGYLWWALXEI-QGZVFWFLSA-N 1 2 342.399 0.101 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](CN2C(=O)N[C@](C)(C(C)(C)C)C2=O)CC1 ZINC000491746119 439440136 /nfs/dbraw/zinc/44/01/36/439440136.db2.gz QCQFTABJNCBRSH-SFHVURJKSA-N 1 2 348.447 0.762 20 30 ECEDLO C#C[C@@H](C)N(C)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000491763756 439443845 /nfs/dbraw/zinc/44/38/45/439443845.db2.gz BVJPFUGKPMNMAM-CYBMUJFWSA-N 1 2 329.404 0.955 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCO[C@H]2C(=C)C)CC1 ZINC000491805951 439455993 /nfs/dbraw/zinc/45/59/93/439455993.db2.gz PWQRWARSAVQRGG-WMZOPIPTSA-N 1 2 347.459 0.641 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCO[C@H]2C(=C)C)CC1 ZINC000491805951 439456000 /nfs/dbraw/zinc/45/60/00/439456000.db2.gz PWQRWARSAVQRGG-WMZOPIPTSA-N 1 2 347.459 0.641 20 30 ECEDLO COCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C[C@H](O)C(F)(F)F ZINC000594018508 439507120 /nfs/dbraw/zinc/50/71/20/439507120.db2.gz YFFXVOGSZMRQTN-AAEUAGOBSA-N 1 2 339.358 0.912 20 30 ECEDLO COCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C[C@H](O)C(F)(F)F ZINC000594018508 439507121 /nfs/dbraw/zinc/50/71/21/439507121.db2.gz YFFXVOGSZMRQTN-AAEUAGOBSA-N 1 2 339.358 0.912 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1Cc2ccccc2[C@@H](C(=O)OC)C1 ZINC000599670336 439533972 /nfs/dbraw/zinc/53/39/72/439533972.db2.gz IPXLMCBFYYDLHP-AWEZNQCLSA-N 1 2 331.372 0.771 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1Cc2ccccc2[C@@H](C(=O)OC)C1 ZINC000599670336 439533974 /nfs/dbraw/zinc/53/39/74/439533974.db2.gz IPXLMCBFYYDLHP-AWEZNQCLSA-N 1 2 331.372 0.771 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(CC(F)(F)F)n2C)CC1 ZINC000583994020 439537174 /nfs/dbraw/zinc/53/71/74/439537174.db2.gz IOUIRDOBWJPTLA-UHFFFAOYSA-N 1 2 346.357 0.344 20 30 ECEDLO COC(=O)c1ccc(N2CC[NH+](Cc3cnn(C)c3)CC2)c(C#N)n1 ZINC000572178878 439563592 /nfs/dbraw/zinc/56/35/92/439563592.db2.gz DLNDPCWMSUIPLS-UHFFFAOYSA-N 1 2 340.387 0.796 20 30 ECEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1 ZINC000609486071 439570856 /nfs/dbraw/zinc/57/08/56/439570856.db2.gz CJHPHWGPQWMBQF-ZBFHGGJFSA-N 1 2 349.479 0.278 20 30 ECEDLO CC(C)(C)n1nnc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)n1 ZINC000594577676 439580036 /nfs/dbraw/zinc/58/00/36/439580036.db2.gz ZEPDELVNCUQISZ-CYBMUJFWSA-N 1 2 330.392 0.829 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cccc(C#N)c2)[C@H](C)CO1 ZINC000595125405 439656969 /nfs/dbraw/zinc/65/69/69/439656969.db2.gz IMPYIONKOAXYNM-CHWSQXEVSA-N 1 2 330.388 0.722 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cccc(C#N)c2)[C@H](C)CO1 ZINC000595125405 439656974 /nfs/dbraw/zinc/65/69/74/439656974.db2.gz IMPYIONKOAXYNM-CHWSQXEVSA-N 1 2 330.388 0.722 20 30 ECEDLO C[C@]1(C#N)CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000595124374 439657247 /nfs/dbraw/zinc/65/72/47/439657247.db2.gz RHWUGRBAYADAAI-WMLDXEAASA-N 1 2 334.420 0.072 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(F)cc2C#N)[C@@H](C)CO1 ZINC000595126885 439659202 /nfs/dbraw/zinc/65/92/02/439659202.db2.gz XAVSLOMKUCOGSE-NWDGAFQWSA-N 1 2 348.378 0.861 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(F)cc2C#N)[C@@H](C)CO1 ZINC000595126885 439659205 /nfs/dbraw/zinc/65/92/05/439659205.db2.gz XAVSLOMKUCOGSE-NWDGAFQWSA-N 1 2 348.378 0.861 20 30 ECEDLO Cc1cc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)ncc1C#N ZINC000595152956 439663754 /nfs/dbraw/zinc/66/37/54/439663754.db2.gz NAVZJFCJCKTJKQ-CQSZACIVSA-N 1 2 343.387 0.133 20 30 ECEDLO CN(CC[NH+]1CCOCC1)C(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586863523 439664391 /nfs/dbraw/zinc/66/43/91/439664391.db2.gz QCNQLODYGFKPRL-UHFFFAOYSA-N 1 2 348.378 0.104 20 30 ECEDLO COCC[N@H+](CCC#N)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000610511726 439621973 /nfs/dbraw/zinc/62/19/73/439621973.db2.gz PVWXHHQXDANLAI-UHFFFAOYSA-N 1 2 346.435 0.377 20 30 ECEDLO COCC[N@@H+](CCC#N)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000610511726 439621978 /nfs/dbraw/zinc/62/19/78/439621978.db2.gz PVWXHHQXDANLAI-UHFFFAOYSA-N 1 2 346.435 0.377 20 30 ECEDLO CS(=O)(=O)NCC[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551181 439705141 /nfs/dbraw/zinc/70/51/41/439705141.db2.gz ODHITRMMEBGFBI-HNNXBMFYSA-N 1 2 340.424 0.557 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000595354871 439712862 /nfs/dbraw/zinc/71/28/62/439712862.db2.gz NPLHXAINSVQOEE-UHFFFAOYSA-N 1 2 344.481 0.511 20 30 ECEDLO N#CCCN1CC[NH+](CC(=O)N2CCN(Cc3ccco3)CC2)CC1 ZINC000611175212 439678407 /nfs/dbraw/zinc/67/84/07/439678407.db2.gz BGTDVNMXEFJRBW-UHFFFAOYSA-N 1 2 345.447 0.455 20 30 ECEDLO N#Cc1cc(CN2CC[N@H+](Cc3ccnc(C#N)c3)CC(O)C2)ccn1 ZINC000611281759 439687822 /nfs/dbraw/zinc/68/78/22/439687822.db2.gz BDRCLTJSZNJFAA-UHFFFAOYSA-N 1 2 348.410 0.899 20 30 ECEDLO N#Cc1cc(CN2CC[N@@H+](Cc3ccnc(C#N)c3)CC(O)C2)ccn1 ZINC000611281759 439687826 /nfs/dbraw/zinc/68/78/26/439687826.db2.gz BDRCLTJSZNJFAA-UHFFFAOYSA-N 1 2 348.410 0.899 20 30 ECEDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000595501777 439735574 /nfs/dbraw/zinc/73/55/74/439735574.db2.gz MYABEEKEXWPLQB-MELADBBJSA-N 1 2 337.401 0.218 20 30 ECEDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000595501777 439735576 /nfs/dbraw/zinc/73/55/76/439735576.db2.gz MYABEEKEXWPLQB-MELADBBJSA-N 1 2 337.401 0.218 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000614670749 439784396 /nfs/dbraw/zinc/78/43/96/439784396.db2.gz YDBBVNSBGFVBRE-HUUCEWRRSA-N 1 2 349.435 0.869 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000614670749 439784397 /nfs/dbraw/zinc/78/43/97/439784397.db2.gz YDBBVNSBGFVBRE-HUUCEWRRSA-N 1 2 349.435 0.869 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc([C@H]3CCO[C@@H]3C)n2C)CC1 ZINC000647356045 440042866 /nfs/dbraw/zinc/04/28/66/440042866.db2.gz HKZQINAXUPJSSR-KGLIPLIRSA-N 1 2 348.451 0.132 20 30 ECEDLO C=CCC[C@@H](CO)NC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000637526068 440289798 /nfs/dbraw/zinc/28/97/98/440289798.db2.gz FCLGLRRYDOOWRF-IRXDYDNUSA-N 1 2 348.447 0.909 20 30 ECEDLO C=CCC[C@@H](CO)NC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000637526068 440289803 /nfs/dbraw/zinc/28/98/03/440289803.db2.gz FCLGLRRYDOOWRF-IRXDYDNUSA-N 1 2 348.447 0.909 20 30 ECEDLO C=CCCO[C@H](C)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000628577597 440511535 /nfs/dbraw/zinc/51/15/35/440511535.db2.gz UGGINKFIVKSOJM-PBHICJAKSA-N 1 2 326.437 0.700 20 30 ECEDLO C=CCCO[C@H](C)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000628577597 440511540 /nfs/dbraw/zinc/51/15/40/440511540.db2.gz UGGINKFIVKSOJM-PBHICJAKSA-N 1 2 326.437 0.700 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000629431361 440695978 /nfs/dbraw/zinc/69/59/78/440695978.db2.gz DLKYSCYIAWGARY-BBWFWOEESA-N 1 2 331.416 0.990 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000629431361 440695984 /nfs/dbraw/zinc/69/59/84/440695984.db2.gz DLKYSCYIAWGARY-BBWFWOEESA-N 1 2 331.416 0.990 20 30 ECEDLO C=CCCOCCNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656326295 440770870 /nfs/dbraw/zinc/77/08/70/440770870.db2.gz AGWYLHPCVDPJTC-SOUVJXGZSA-N 1 2 341.452 0.309 20 30 ECEDLO C=CCCOCCNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656326295 440770874 /nfs/dbraw/zinc/77/08/74/440770874.db2.gz AGWYLHPCVDPJTC-SOUVJXGZSA-N 1 2 341.452 0.309 20 30 ECEDLO C=CC[N@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@@H](C)COC ZINC000661241992 440819142 /nfs/dbraw/zinc/81/91/42/440819142.db2.gz GJINLFFYHMIIPJ-LBPRGKRZSA-N 1 2 341.433 0.795 20 30 ECEDLO C=CC[N@@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@@H](C)COC ZINC000661241992 440819144 /nfs/dbraw/zinc/81/91/44/440819144.db2.gz GJINLFFYHMIIPJ-LBPRGKRZSA-N 1 2 341.433 0.795 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)NCc2cccc(OC)c2)nn1 ZINC000640798673 440992510 /nfs/dbraw/zinc/99/25/10/440992510.db2.gz HZSKTVHAADYRCZ-UHFFFAOYSA-N 1 2 327.388 0.716 20 30 ECEDLO CC(C)(C(=O)N1CCN(c2cnccc2C#N)CC1)[NH+]1CCOCC1 ZINC000557747120 322210084 /nfs/dbraw/zinc/21/00/84/322210084.db2.gz KSPGJPAFZXEAFB-UHFFFAOYSA-N 1 2 343.431 0.713 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000567989942 322608948 /nfs/dbraw/zinc/60/89/48/322608948.db2.gz VOIHAKDEQCAPES-UHFFFAOYSA-N 1 2 331.376 0.848 20 30 ECEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2ccc(C#N)c(N)n2)CC1 ZINC000569355490 322651873 /nfs/dbraw/zinc/65/18/73/322651873.db2.gz OSWTYIREBUUUKA-ZDUSSCGKSA-N 1 2 328.420 0.668 20 30 ECEDLO N#Cc1cncc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)c1 ZINC000572001422 322737662 /nfs/dbraw/zinc/73/76/62/322737662.db2.gz GNNGXEGROBAQBI-HNNXBMFYSA-N 1 2 329.385 0.683 20 30 ECEDLO Cc1cc(C#N)c(=O)n(CC(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000579712312 322904740 /nfs/dbraw/zinc/90/47/40/322904740.db2.gz RKKCZDWUCXEHGS-UHFFFAOYSA-N 1 2 332.404 0.255 20 30 ECEDLO Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000328705679 546004277 /nfs/dbraw/zinc/00/42/77/546004277.db2.gz LERFXYJASUIXTP-GFCCVEGCSA-N 1 2 334.424 0.560 20 30 ECEDLO C[C@H](CNC(=O)N[C@@H]1CCOC2(CCOCC2)C1)[NH+]1CCOCC1 ZINC000330270657 546041954 /nfs/dbraw/zinc/04/19/54/546041954.db2.gz UOXWXJJWFYUFRP-HUUCEWRRSA-N 1 2 341.452 0.939 20 30 ECEDLO C=CCNS(=O)(=O)c1cccc(C(=O)NCc2c[nH+]cn2C)c1 ZINC000355249726 546154743 /nfs/dbraw/zinc/15/47/43/546154743.db2.gz ARPMRYZXZHRMRE-UHFFFAOYSA-N 1 2 334.401 0.814 20 30 ECEDLO COCCN1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000619578871 546343014 /nfs/dbraw/zinc/34/30/14/546343014.db2.gz WGFZQCMTTZGOHM-QGZVFWFLSA-N 1 2 333.432 0.756 20 30 ECEDLO C=C[C@H](C(=O)OC)N1CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000619716237 546363417 /nfs/dbraw/zinc/36/34/17/546363417.db2.gz BSNJNOPXGJZJEQ-MRXNPFEDSA-N 1 2 343.427 0.921 20 30 ECEDLO C=CC(C)(C)CCNC(=O)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000625470328 547110584 /nfs/dbraw/zinc/11/05/84/547110584.db2.gz DJCOCIIJOSTJFY-UHFFFAOYSA-N 1 2 347.463 0.783 20 30 ECEDLO C=CCn1c(N2CC[NH+](CC(=O)N(C)C)CC2)nnc1C(C)(C)C ZINC000669808982 547936536 /nfs/dbraw/zinc/93/65/36/547936536.db2.gz PJQVCTIJXONCHP-UHFFFAOYSA-N 1 2 334.468 0.972 20 30 ECEDLO COCC#CC[NH+]1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000677133015 548900530 /nfs/dbraw/zinc/90/05/30/548900530.db2.gz CJOMLWASRQKJQX-UHFFFAOYSA-N 1 2 327.428 0.843 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2c(=O)scc2C(F)(F)F)CC1 ZINC000750002624 579345985 /nfs/dbraw/zinc/34/59/85/579345985.db2.gz HWZVGHFVCVSWBW-UHFFFAOYSA-N 1 2 333.335 0.706 20 30 ECEDLO C#CCOCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000753073467 579394652 /nfs/dbraw/zinc/39/46/52/579394652.db2.gz AVQRILNCVPTCQM-QGZVFWFLSA-N 1 2 331.416 0.836 20 30 ECEDLO C#CCOCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000753073467 579394654 /nfs/dbraw/zinc/39/46/54/579394654.db2.gz AVQRILNCVPTCQM-QGZVFWFLSA-N 1 2 331.416 0.836 20 30 ECEDLO Oc1c(F)cccc1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000755497835 579434283 /nfs/dbraw/zinc/43/42/83/579434283.db2.gz BNQXBUOVERLOJG-UHFFFAOYSA-N 1 2 326.397 0.662 20 30 ECEDLO C[NH+]1CCC(C#N)(NC(=O)c2cc(S(C)(=O)=O)ccc2F)CC1 ZINC000755878906 579440417 /nfs/dbraw/zinc/44/04/17/579440417.db2.gz SHSSEORWJQKXDG-UHFFFAOYSA-N 1 2 339.392 0.947 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@](C)(O)CN2Cc3ccccc3C2=O)CC1 ZINC000756829078 579454862 /nfs/dbraw/zinc/45/48/62/579454862.db2.gz IGSWKYHECDCPFD-LJQANCHMSA-N 1 2 341.411 0.171 20 30 ECEDLO CCN(C)C(=O)CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000758761598 579481282 /nfs/dbraw/zinc/48/12/82/579481282.db2.gz NKTIFCMMCIYDCF-UHFFFAOYSA-N 1 2 334.420 0.634 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2c(CC)nn(C)c2Cl)CC1 ZINC000729928065 578301100 /nfs/dbraw/zinc/30/11/00/578301100.db2.gz WMOOSUNROMFARA-UHFFFAOYSA-N 1 2 337.855 0.503 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(CCC)n[nH]2)CC1 ZINC000733148501 578332650 /nfs/dbraw/zinc/33/26/50/578332650.db2.gz AWJACJKZWAOVBS-UHFFFAOYSA-N 1 2 331.420 0.260 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(CCC)n[nH]2)CC1 ZINC000733148501 578332652 /nfs/dbraw/zinc/33/26/52/578332652.db2.gz AWJACJKZWAOVBS-UHFFFAOYSA-N 1 2 331.420 0.260 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000733160924 578333211 /nfs/dbraw/zinc/33/32/11/578333211.db2.gz HDTXNPCZEHRZKR-UHFFFAOYSA-N 1 2 344.371 0.492 20 30 ECEDLO C#CCC[C@@H](O)CNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000798358951 578644669 /nfs/dbraw/zinc/64/46/69/578644669.db2.gz GYNFANKQASUNMU-OAHLLOKOSA-N 1 2 332.404 0.492 20 30 ECEDLO C#CCC[C@H](O)CNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000798383796 578644935 /nfs/dbraw/zinc/64/49/35/578644935.db2.gz CWAOUUBSNRQQEI-GOEBONIOSA-N 1 2 341.477 0.268 20 30 ECEDLO C#CCC[C@H](O)CNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000799218599 578661115 /nfs/dbraw/zinc/66/11/15/578661115.db2.gz CIQYXDUDSKLGNK-HNNXBMFYSA-N 1 2 335.408 0.111 20 30 ECEDLO CC(C)(C)NS(=O)(=O)c1ccc(N[NH+]=Cc2cnc(N)nc2)nc1 ZINC000781589165 578711956 /nfs/dbraw/zinc/71/19/56/578711956.db2.gz DJTHVOQRBADGTF-UHFFFAOYSA-N 1 2 349.420 0.977 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000782277703 578722946 /nfs/dbraw/zinc/72/29/46/578722946.db2.gz ZKFSDMZUJXTBMS-VVLLMFOMSA-N 1 2 337.376 0.167 20 30 ECEDLO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)OCC(=O)NC1(C#N)CCC1 ZINC000784231051 578749854 /nfs/dbraw/zinc/74/98/54/578749854.db2.gz UJECSWNHEYWPHU-OAHLLOKOSA-N 1 2 337.420 0.885 20 30 ECEDLO C=CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)C(C)C ZINC000786445899 578787245 /nfs/dbraw/zinc/78/72/45/578787245.db2.gz GCSQGEDWWPWTHK-OAHLLOKOSA-N 1 2 325.453 0.882 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCc1cc(C#N)ccc1F ZINC000787757988 578815656 /nfs/dbraw/zinc/81/56/56/578815656.db2.gz MLMIGXWJMUGUPA-GFCCVEGCSA-N 1 2 348.378 0.150 20 30 ECEDLO COC(=O)[C@H]1[C@H](CN(CCC#N)CC[NH+]2CCOCC2)C1(F)F ZINC000787769425 578816318 /nfs/dbraw/zinc/81/63/18/578816318.db2.gz FSCMOEZDTRWLNK-QWHCGFSZSA-N 1 2 331.363 0.589 20 30 ECEDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)CSCC#N ZINC000787920948 578821012 /nfs/dbraw/zinc/82/10/12/578821012.db2.gz ZXEPTSVAGNOAGB-OAHLLOKOSA-N 1 2 343.412 0.899 20 30 ECEDLO C[C@@H](OC(=O)c1cccc(CC#N)c1)C(=O)NCC[NH+]1CCOCC1 ZINC000788106243 578827799 /nfs/dbraw/zinc/82/77/99/578827799.db2.gz JTAUZGQWKJXOAG-CQSZACIVSA-N 1 2 345.399 0.746 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cncc(COC)c2)CC1 ZINC000765487666 579067596 /nfs/dbraw/zinc/06/75/96/579067596.db2.gz TWMKRYMZFXEFCA-UHFFFAOYSA-N 1 2 344.415 0.125 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cncc(COC)c2)CC1 ZINC000765487666 579067597 /nfs/dbraw/zinc/06/75/97/579067597.db2.gz TWMKRYMZFXEFCA-UHFFFAOYSA-N 1 2 344.415 0.125 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000769209081 579140819 /nfs/dbraw/zinc/14/08/19/579140819.db2.gz ZJIRPPHBROOGGB-SFHVURJKSA-N 1 2 340.383 0.132 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2csc(Cl)n2)CC1 ZINC000769703326 579150227 /nfs/dbraw/zinc/15/02/27/579150227.db2.gz JNNAOLGWXKAPCU-UHFFFAOYSA-N 1 2 340.836 0.694 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2csc(Cl)n2)CC1 ZINC000769703326 579150228 /nfs/dbraw/zinc/15/02/28/579150228.db2.gz JNNAOLGWXKAPCU-UHFFFAOYSA-N 1 2 340.836 0.694 20 30 ECEDLO C=CCN(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C1CC1 ZINC000772481679 579207884 /nfs/dbraw/zinc/20/78/84/579207884.db2.gz LRWNORWSFVRNQJ-UHFFFAOYSA-N 1 2 329.466 0.855 20 30 ECEDLO C#C[C@H](NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[C@H]1CCCO1 ZINC000773166997 579221617 /nfs/dbraw/zinc/22/16/17/579221617.db2.gz MYLWEQBIBPIGIO-JKSUJKDBSA-N 1 2 344.415 0.898 20 30 ECEDLO C#C[C@H]([NH2+]CC(=O)Nc1cccc(S(C)(=O)=O)c1)[C@@H]1CCCO1 ZINC000775798820 579271538 /nfs/dbraw/zinc/27/15/38/579271538.db2.gz LLSSXMLQTFDKCC-GJZGRUSLSA-N 1 2 336.413 0.799 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000776648499 579287014 /nfs/dbraw/zinc/28/70/14/579287014.db2.gz NQYHQAFFMCIREU-UHFFFAOYSA-N 1 2 340.383 0.161 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000776648499 579287015 /nfs/dbraw/zinc/28/70/15/579287015.db2.gz NQYHQAFFMCIREU-UHFFFAOYSA-N 1 2 340.383 0.161 20 30 ECEDLO COc1cc(C)[nH+]c(C=c2sc(=C(C#N)C#N)n(C3CC3)c2=O)c1 ZINC000776755706 579288920 /nfs/dbraw/zinc/28/89/20/579288920.db2.gz PCECNZPFOJGBOQ-UHFFFAOYSA-N 1 2 338.392 0.983 20 30 ECEDLO COC(=O)c1cn([C@@H]2CC[N@H+](Cn3ccc(C)c(C#N)c3=O)C2)nn1 ZINC000760539212 579512129 /nfs/dbraw/zinc/51/21/29/579512129.db2.gz CEJRWAFEYNSJPC-GFCCVEGCSA-N 1 2 342.359 0.311 20 30 ECEDLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cn3ccc(C)c(C#N)c3=O)C2)nn1 ZINC000760539212 579512130 /nfs/dbraw/zinc/51/21/30/579512130.db2.gz CEJRWAFEYNSJPC-GFCCVEGCSA-N 1 2 342.359 0.311 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000761039112 579520061 /nfs/dbraw/zinc/52/00/61/579520061.db2.gz UKUGBPROWRYJNE-UHFFFAOYSA-N 1 2 327.837 0.925 20 30 ECEDLO COCC#CC[N@H+](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000762926443 579551748 /nfs/dbraw/zinc/55/17/48/579551748.db2.gz QWLYJQYYNKMERY-UHFFFAOYSA-N 1 2 339.436 0.647 20 30 ECEDLO COCC#CC[N@@H+](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000762926443 579551750 /nfs/dbraw/zinc/55/17/50/579551750.db2.gz QWLYJQYYNKMERY-UHFFFAOYSA-N 1 2 339.436 0.647 20 30 ECEDLO C[S@@](=O)CC[NH+]1CCN(C(=O)COc2ccccc2C#N)CC1 ZINC000741142086 579766339 /nfs/dbraw/zinc/76/63/39/579766339.db2.gz RJFFSQFZNIKAII-HSZRJFAPSA-N 1 2 335.429 0.460 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1cnc2ccccc2n1 ZINC000744700785 579812948 /nfs/dbraw/zinc/81/29/48/579812948.db2.gz TYDWQKJBYNUGMI-UHFFFAOYSA-N 1 2 344.444 0.760 20 30 ECEDLO C#CCNC(=O)[C@H](C)OC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000744962795 579816855 /nfs/dbraw/zinc/81/68/55/579816855.db2.gz DCKNSQGNDBFDSG-WMLDXEAASA-N 1 2 344.411 0.866 20 30 ECEDLO O=C(CCNC(=O)C1N=CC=CC1=O)NCCCNc1cccc[nH+]1 ZINC000746279571 579835149 /nfs/dbraw/zinc/83/51/49/579835149.db2.gz CJOVJNFNUPGWJH-MSUUIHNZSA-N 1 2 343.387 0.916 20 30 ECEDLO C[S@](=O)CC[NH+]1CCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000746466523 579839925 /nfs/dbraw/zinc/83/99/25/579839925.db2.gz DXMLUHQUJFTDHE-QHCPKHFHSA-N 1 2 340.493 0.325 20 30 ECEDLO O=C(C#Cc1ccc2c(c1)OCO2)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836867378 588937002 /nfs/dbraw/zinc/93/70/02/588937002.db2.gz XHMLRWINRUTBSV-GASCZTMLSA-N 1 2 328.368 0.746 20 30 ECEDLO O=C(C#Cc1ccc2c(c1)OCO2)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836867378 588937003 /nfs/dbraw/zinc/93/70/03/588937003.db2.gz XHMLRWINRUTBSV-GASCZTMLSA-N 1 2 328.368 0.746 20 30 ECEDLO C#CC1(O)CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)C1 ZINC000890528045 586052254 /nfs/dbraw/zinc/05/22/54/586052254.db2.gz VVJZWLWNHRYQAB-HNNXBMFYSA-N 1 2 344.415 0.224 20 30 ECEDLO C#CC1(O)CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)C1 ZINC000890528045 586052255 /nfs/dbraw/zinc/05/22/55/586052255.db2.gz VVJZWLWNHRYQAB-HNNXBMFYSA-N 1 2 344.415 0.224 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(OC)c2OC)C1 ZINC000891600523 586180564 /nfs/dbraw/zinc/18/05/64/586180564.db2.gz CAABARXAWPCUFL-ZDUSSCGKSA-N 1 2 345.399 0.856 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(OC)c2OC)C1 ZINC000891600523 586180566 /nfs/dbraw/zinc/18/05/66/586180566.db2.gz CAABARXAWPCUFL-ZDUSSCGKSA-N 1 2 345.399 0.856 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cnn(C)c2C2CC2)C1 ZINC000891603926 586181276 /nfs/dbraw/zinc/18/12/76/586181276.db2.gz STYGKAVQQRFESZ-ZDUSSCGKSA-N 1 2 329.404 0.450 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cnn(C)c2C2CC2)C1 ZINC000891603926 586181279 /nfs/dbraw/zinc/18/12/79/586181279.db2.gz STYGKAVQQRFESZ-ZDUSSCGKSA-N 1 2 329.404 0.450 20 30 ECEDLO C[C@]1(C#N)CN(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CCO1 ZINC000891830263 586199776 /nfs/dbraw/zinc/19/97/76/586199776.db2.gz XXTQIQTVEPGAKH-KRWDZBQOSA-N 1 2 345.403 0.742 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cccc3c2NCCC3)CC1 ZINC000895917637 586212711 /nfs/dbraw/zinc/21/27/11/586212711.db2.gz GQHMVDIUJFURLD-UHFFFAOYSA-N 1 2 348.472 0.630 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](C/C=C/c2ccccc2OC)CC1 ZINC000895916329 586212792 /nfs/dbraw/zinc/21/27/92/586212792.db2.gz ZPQZYUXGQHRWNL-SOFGYWHQSA-N 1 2 349.456 0.794 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000895919670 586213204 /nfs/dbraw/zinc/21/32/04/586213204.db2.gz APUOSLRAUYWSNU-UHFFFAOYSA-N 1 2 340.474 0.606 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2csc(C)c2C)CC1 ZINC000895919451 586213476 /nfs/dbraw/zinc/21/34/76/586213476.db2.gz UYEAKHIMAXGMKE-UHFFFAOYSA-N 1 2 327.475 0.950 20 30 ECEDLO C#CCCCOc1ccc[nH+]c1N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000896596692 586261910 /nfs/dbraw/zinc/26/19/10/586261910.db2.gz ITAIQBLRGMMDRI-ZDUSSCGKSA-N 1 2 336.417 0.212 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCO[C@@H]3C)n2CCOC)CC1 ZINC000842993268 589045845 /nfs/dbraw/zinc/04/58/45/589045845.db2.gz FYTBLQZYRKZEPO-HUUCEWRRSA-N 1 2 333.436 0.572 20 30 ECEDLO C=C(C)CNC(=S)N1CCN(c2nc(N)[nH+]c(C3CC3)n2)CC1 ZINC000899633864 586492880 /nfs/dbraw/zinc/49/28/80/586492880.db2.gz MPZWXCZFUWOISC-UHFFFAOYSA-N 1 2 333.465 0.904 20 30 ECEDLO C=C(C)CNC(=S)N1CCN(c2nc(N)nc(C3CC3)[nH+]2)CC1 ZINC000899633864 586492882 /nfs/dbraw/zinc/49/28/82/586492882.db2.gz MPZWXCZFUWOISC-UHFFFAOYSA-N 1 2 333.465 0.904 20 30 ECEDLO C#CCC(CC#C)C(=O)N1CCN(c2nc(N)[nH+]c(C3CC3)n2)CC1 ZINC000900740800 586661135 /nfs/dbraw/zinc/66/11/35/586661135.db2.gz NESIDWIVHILHTH-UHFFFAOYSA-N 1 2 338.415 0.643 20 30 ECEDLO C#CCC(CC#C)C(=O)N1CCN(c2nc(N)nc(C3CC3)[nH+]2)CC1 ZINC000900740800 586661137 /nfs/dbraw/zinc/66/11/37/586661137.db2.gz NESIDWIVHILHTH-UHFFFAOYSA-N 1 2 338.415 0.643 20 30 ECEDLO CCOC(=O)[C@@H]1C[C@H]1Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000901556294 586711436 /nfs/dbraw/zinc/71/14/36/586711436.db2.gz BYSRLFIPGHHBHP-JKSUJKDBSA-N 1 2 345.399 0.751 20 30 ECEDLO C=CCN(C(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000839248396 586843727 /nfs/dbraw/zinc/84/37/27/586843727.db2.gz YEWRWMHJONPUHA-GASCZTMLSA-N 1 2 325.453 0.977 20 30 ECEDLO C=CCN(C(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000839248396 586843728 /nfs/dbraw/zinc/84/37/28/586843728.db2.gz YEWRWMHJONPUHA-GASCZTMLSA-N 1 2 325.453 0.977 20 30 ECEDLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2cnn(CC#N)c2)C1 ZINC000757262290 586880088 /nfs/dbraw/zinc/88/00/88/586880088.db2.gz YERMPAFXMLYOMW-HNNXBMFYSA-N 1 2 338.371 0.648 20 30 ECEDLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2cnn(CC#N)c2)C1 ZINC000757262290 586880089 /nfs/dbraw/zinc/88/00/89/586880089.db2.gz YERMPAFXMLYOMW-HNNXBMFYSA-N 1 2 338.371 0.648 20 30 ECEDLO N#CCN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)c1ccccn1 ZINC000905998612 586927802 /nfs/dbraw/zinc/92/78/02/586927802.db2.gz SBPDHCWONMJNPK-CABCVRRESA-N 1 2 330.388 0.818 20 30 ECEDLO COC(=O)[C@@H]1CC(=O)N(C[NH+]2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000799942980 586961036 /nfs/dbraw/zinc/96/10/36/586961036.db2.gz KBRGYZYXTQWUJX-CQSZACIVSA-N 1 2 342.399 0.918 20 30 ECEDLO C#CCCCNC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000806908907 587110915 /nfs/dbraw/zinc/11/09/15/587110915.db2.gz SEFBGPPLIMVOPA-UHFFFAOYSA-N 1 2 338.411 0.732 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)COCc1ccccn1 ZINC000806922554 587112149 /nfs/dbraw/zinc/11/21/49/587112149.db2.gz MPEXVERRUBTYJE-UHFFFAOYSA-N 1 2 332.404 0.673 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1 ZINC000807222331 587122341 /nfs/dbraw/zinc/12/23/41/587122341.db2.gz LYAONMRCKNNKPT-OAHLLOKOSA-N 1 2 337.383 0.717 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CCCO1 ZINC000807695160 587134994 /nfs/dbraw/zinc/13/49/94/587134994.db2.gz RCVXCXXCVFTOQQ-SOUVJXGZSA-N 1 2 342.399 0.074 20 30 ECEDLO N#CCOc1cccc(CC(=O)NC[C@@H]2CN3CC[N@@H+]2CCC3)c1 ZINC000808024640 587142585 /nfs/dbraw/zinc/14/25/85/587142585.db2.gz WJKVWEKUMWSSKM-MRXNPFEDSA-N 1 2 328.416 0.638 20 30 ECEDLO N#CCOc1cccc(CC(=O)NC[C@@H]2CN3CC[N@H+]2CCC3)c1 ZINC000808024640 587142587 /nfs/dbraw/zinc/14/25/87/587142587.db2.gz WJKVWEKUMWSSKM-MRXNPFEDSA-N 1 2 328.416 0.638 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)[C@@H]1CCCO1 ZINC000809313053 587175217 /nfs/dbraw/zinc/17/52/17/587175217.db2.gz QHFXXZGDWIFKMI-RDBSUJKOSA-N 1 2 330.388 0.413 20 30 ECEDLO N#CC[C@@H](O)C[N@@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000809571503 587180149 /nfs/dbraw/zinc/18/01/49/587180149.db2.gz UMGAZVDXXYFEHM-CQSZACIVSA-N 1 2 341.408 0.797 20 30 ECEDLO N#CC[C@@H](O)C[N@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000809571503 587180151 /nfs/dbraw/zinc/18/01/51/587180151.db2.gz UMGAZVDXXYFEHM-CQSZACIVSA-N 1 2 341.408 0.797 20 30 ECEDLO C#CCC[C@@H](O)CNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000811492735 587220221 /nfs/dbraw/zinc/22/02/21/587220221.db2.gz APXVYBIPVYJKGJ-HUUCEWRRSA-N 1 2 334.420 0.374 20 30 ECEDLO C#CCC[C@@H](O)CNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000811492735 587220222 /nfs/dbraw/zinc/22/02/22/587220222.db2.gz APXVYBIPVYJKGJ-HUUCEWRRSA-N 1 2 334.420 0.374 20 30 ECEDLO C=CCC(F)(F)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000815051215 587281520 /nfs/dbraw/zinc/28/15/20/587281520.db2.gz LLPXFCLDVQAGIR-UHFFFAOYSA-N 1 2 325.363 0.926 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(COC)cc2)CC1 ZINC000815078797 587282353 /nfs/dbraw/zinc/28/23/53/587282353.db2.gz GULQVQJVCVMHPT-UHFFFAOYSA-N 1 2 337.445 0.418 20 30 ECEDLO CC(=O)N1C[C@@H]2C[N@@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C[C@@H]2C1 ZINC000821322099 587585310 /nfs/dbraw/zinc/58/53/10/587585310.db2.gz DJIPZMMBLXEJHG-IYBDPMFKSA-N 1 2 347.440 0.742 20 30 ECEDLO CC(=O)N1C[C@@H]2C[N@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C[C@@H]2C1 ZINC000821322099 587585312 /nfs/dbraw/zinc/58/53/12/587585312.db2.gz DJIPZMMBLXEJHG-IYBDPMFKSA-N 1 2 347.440 0.742 20 30 ECEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C#N)c(OC)c2)CC1 ZINC000821730762 587627141 /nfs/dbraw/zinc/62/71/41/587627141.db2.gz AWAIEZBCCJGECH-UHFFFAOYSA-N 1 2 344.415 0.851 20 30 ECEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C#N)c(OC)c2)CC1 ZINC000821730762 587627143 /nfs/dbraw/zinc/62/71/43/587627143.db2.gz AWAIEZBCCJGECH-UHFFFAOYSA-N 1 2 344.415 0.851 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(-c2nn[nH]n2)cs1 ZINC000822811359 587681757 /nfs/dbraw/zinc/68/17/57/587681757.db2.gz XSTXIZSBROPTQB-UHFFFAOYSA-N 1 2 347.448 0.976 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2CNC(=O)[O-])CC1 ZINC000823455511 587721415 /nfs/dbraw/zinc/72/14/15/587721415.db2.gz DGSPHQUKSRVJFA-CABCVRRESA-N 1 2 336.436 0.132 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2CNC(=O)[O-])CC1 ZINC000823455511 587721416 /nfs/dbraw/zinc/72/14/16/587721416.db2.gz DGSPHQUKSRVJFA-CABCVRRESA-N 1 2 336.436 0.132 20 30 ECEDLO C#CC[C@H](NC(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1)C(=O)OC ZINC000823518736 587725661 /nfs/dbraw/zinc/72/56/61/587725661.db2.gz HYIJEEQXDLSJMA-JKSUJKDBSA-N 1 2 330.384 0.951 20 30 ECEDLO C#CC[C@H](NC(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1)C(=O)OC ZINC000823518736 587725663 /nfs/dbraw/zinc/72/56/63/587725663.db2.gz HYIJEEQXDLSJMA-JKSUJKDBSA-N 1 2 330.384 0.951 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C\c1ccc(C(N)=O)o1 ZINC000824902159 587902185 /nfs/dbraw/zinc/90/21/85/587902185.db2.gz SEMVUEYSLZIHKJ-HYXAFXHYSA-N 1 2 346.387 0.466 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2cc(Br)n(C)n2)CC1 ZINC000825548817 587949366 /nfs/dbraw/zinc/94/93/66/587949366.db2.gz GWWUOVXLDFISSE-UHFFFAOYSA-N 1 2 325.210 0.964 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)Cc2ccco2)CC1 ZINC000826551279 588069724 /nfs/dbraw/zinc/06/97/24/588069724.db2.gz ZKXZHGVPSRIWOE-OAHLLOKOSA-N 1 2 331.416 0.742 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)Cc2ccco2)CC1 ZINC000826551279 588069726 /nfs/dbraw/zinc/06/97/26/588069726.db2.gz ZKXZHGVPSRIWOE-OAHLLOKOSA-N 1 2 331.416 0.742 20 30 ECEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000828984347 588212445 /nfs/dbraw/zinc/21/24/45/588212445.db2.gz ZGZOTJUWHWSODC-OAHLLOKOSA-N 1 2 341.371 0.792 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844302596 589107043 /nfs/dbraw/zinc/10/70/43/589107043.db2.gz KSYNCBVRAPIXCT-GXTWGEPZSA-N 1 2 342.403 0.842 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844302596 589107044 /nfs/dbraw/zinc/10/70/44/589107044.db2.gz KSYNCBVRAPIXCT-GXTWGEPZSA-N 1 2 342.403 0.842 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844879077 589124330 /nfs/dbraw/zinc/12/43/30/589124330.db2.gz ACTHCQIDACWMCT-RHSMWYFYSA-N 1 2 346.431 0.954 20 30 ECEDLO C#C[C@H]1CCC[N@@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)C1 ZINC000847031477 589233173 /nfs/dbraw/zinc/23/31/73/589233173.db2.gz QWDLODIPXXUTMD-FVRSWCFKSA-N 1 2 346.431 0.864 20 30 ECEDLO C#C[C@H]1CCC[N@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)C1 ZINC000847031477 589233175 /nfs/dbraw/zinc/23/31/75/589233175.db2.gz QWDLODIPXXUTMD-FVRSWCFKSA-N 1 2 346.431 0.864 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C(C)=C\c2ccco2)CC1 ZINC000847446953 589247227 /nfs/dbraw/zinc/24/72/27/589247227.db2.gz VCQJEOZQLXRSMM-SQFISAMPSA-N 1 2 329.400 0.967 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C(C)=C\c2ccco2)CC1 ZINC000847446953 589247228 /nfs/dbraw/zinc/24/72/28/589247228.db2.gz VCQJEOZQLXRSMM-SQFISAMPSA-N 1 2 329.400 0.967 20 30 ECEDLO C[NH+](C)CCNC(=O)C[C@@H]1S/C(=N/C2CCCCC2)NC1=O ZINC000106898490 589251649 /nfs/dbraw/zinc/25/16/49/589251649.db2.gz BWTUQXMCBREZPX-LBPRGKRZSA-N 1 2 326.466 0.975 20 30 ECEDLO C#C[C@@H]1CCCN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)C1 ZINC000848749969 589309440 /nfs/dbraw/zinc/30/94/40/589309440.db2.gz JQWNTUGXEMWABI-OAHLLOKOSA-N 1 2 348.472 0.867 20 30 ECEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000850681563 589378997 /nfs/dbraw/zinc/37/89/97/589378997.db2.gz AHAJHXQWKTWHBD-CVEARBPZSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000851750724 589419587 /nfs/dbraw/zinc/41/95/87/589419587.db2.gz IVCUHTNPXHHAFS-UHFFFAOYSA-N 1 2 334.351 0.601 20 30 ECEDLO Cc1nn(C)c(N2CC[NH+](C[C@@H](O)c3ccccn3)CC2)c1C#N ZINC000851976059 589435419 /nfs/dbraw/zinc/43/54/19/589435419.db2.gz QGDHNHQTHQYLRQ-MRXNPFEDSA-N 1 2 326.404 0.851 20 30 ECEDLO COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852329241 589491521 /nfs/dbraw/zinc/49/15/21/589491521.db2.gz WSXLMYHUNKMDLM-GOSISDBHSA-N 1 2 344.415 0.960 20 30 ECEDLO COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852329241 589491522 /nfs/dbraw/zinc/49/15/22/589491522.db2.gz WSXLMYHUNKMDLM-GOSISDBHSA-N 1 2 344.415 0.960 20 30 ECEDLO NC(CN1CCOCC1)=[NH+]OCC(=O)Nc1ccccc1Cl ZINC000111181819 589538449 /nfs/dbraw/zinc/53/84/49/589538449.db2.gz ALRGMYSBGGEAKC-UHFFFAOYSA-N 1 2 326.784 0.900 20 30 ECEDLO N#Cc1cc(C(=O)N2Cc3ccc[nH+]c3N3C[C@H](O)C[C@H]3C2)ccn1 ZINC000856613719 589668660 /nfs/dbraw/zinc/66/86/60/589668660.db2.gz FJQLCPLJAAWLBU-JKSUJKDBSA-N 1 2 335.367 0.944 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCn3c[nH+]cc32)c1 ZINC000857990038 589721912 /nfs/dbraw/zinc/72/19/12/589721912.db2.gz MAFKKKIYIQVIBS-CYBMUJFWSA-N 1 2 345.384 0.294 20 30 ECEDLO C=CC[C@H](NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)c1ccncc1 ZINC000866794268 589777925 /nfs/dbraw/zinc/77/79/25/589777925.db2.gz IOUJAHJBSADVAB-GJZGRUSLSA-N 1 2 325.434 0.949 20 30 ECEDLO C=CC[C@H](NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)c1ccncc1 ZINC000866794268 589777926 /nfs/dbraw/zinc/77/79/26/589777926.db2.gz IOUJAHJBSADVAB-GJZGRUSLSA-N 1 2 325.434 0.949 20 30 ECEDLO CCOC(=O)[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)CCO1 ZINC000859148455 589803108 /nfs/dbraw/zinc/80/31/08/589803108.db2.gz RCMHYBABCXFNBF-KGLIPLIRSA-N 1 2 326.393 0.322 20 30 ECEDLO CCOC(=O)[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)CCO1 ZINC000859148455 589803111 /nfs/dbraw/zinc/80/31/11/589803111.db2.gz RCMHYBABCXFNBF-KGLIPLIRSA-N 1 2 326.393 0.322 20 30 ECEDLO CCOC(=O)[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)CCO1 ZINC000859147241 589803130 /nfs/dbraw/zinc/80/31/30/589803130.db2.gz DULUZUNCUSMNEJ-HOCLYGCPSA-N 1 2 334.372 0.562 20 30 ECEDLO CCOC(=O)[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)CCO1 ZINC000859147241 589803132 /nfs/dbraw/zinc/80/31/32/589803132.db2.gz DULUZUNCUSMNEJ-HOCLYGCPSA-N 1 2 334.372 0.562 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)CC1 ZINC000859226373 589809292 /nfs/dbraw/zinc/80/92/92/589809292.db2.gz XSPWWTSTBMFTJG-IVSAIRAKSA-N 1 2 335.448 0.330 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)CC1 ZINC000859226373 589809295 /nfs/dbraw/zinc/80/92/95/589809295.db2.gz XSPWWTSTBMFTJG-IVSAIRAKSA-N 1 2 335.448 0.330 20 30 ECEDLO C#CC[C@H]1CCN(C(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2[nH+]ccn2C)C1 ZINC000862576769 589943563 /nfs/dbraw/zinc/94/35/63/589943563.db2.gz KVXOKERHWNKGLL-BPUTZDHNSA-N 1 2 344.415 0.580 20 30 ECEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000863326561 590004538 /nfs/dbraw/zinc/00/45/38/590004538.db2.gz ORTMQPRTFXPUTC-OAHLLOKOSA-N 1 2 340.387 0.659 20 30 ECEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000863326561 590004542 /nfs/dbraw/zinc/00/45/42/590004542.db2.gz ORTMQPRTFXPUTC-OAHLLOKOSA-N 1 2 340.387 0.659 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000863805824 590039814 /nfs/dbraw/zinc/03/98/14/590039814.db2.gz VTCJREGRUCJSBR-DZGCQCFKSA-N 1 2 334.420 0.638 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000863805824 590039817 /nfs/dbraw/zinc/03/98/17/590039817.db2.gz VTCJREGRUCJSBR-DZGCQCFKSA-N 1 2 334.420 0.638 20 30 ECEDLO N#Cc1ccc(N2CCN(C(=O)c3n[nH]c4c3C[NH2+]CC4)CC2)cc1 ZINC000870981397 590042452 /nfs/dbraw/zinc/04/24/52/590042452.db2.gz JEXAPRQUKAYSCJ-UHFFFAOYSA-N 1 2 336.399 0.889 20 30 ECEDLO CC[C@@H](C(=O)N(CC#N)CCC(=O)OC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000871344666 590060624 /nfs/dbraw/zinc/06/06/24/590060624.db2.gz UUPRPWMXQASEHJ-KBPBESRZSA-N 1 2 325.409 0.791 20 30 ECEDLO CC[C@@H](C(=O)N(CC#N)CCC(=O)OC)[N@H+]1CCO[C@@H](CC)C1 ZINC000871344666 590060627 /nfs/dbraw/zinc/06/06/27/590060627.db2.gz UUPRPWMXQASEHJ-KBPBESRZSA-N 1 2 325.409 0.791 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)nn1 ZINC000864650281 590090933 /nfs/dbraw/zinc/09/09/33/590090933.db2.gz UAUQUUHHSAFBSU-KRWDZBQOSA-N 1 2 349.435 0.763 20 30 ECEDLO O=C1CN(N=Cc2ccc(OCC[NH+]3CCOCC3)cc2)C(=O)N1 ZINC000872337563 590115108 /nfs/dbraw/zinc/11/51/08/590115108.db2.gz IBQUJOXBVSSJNM-UHFFFAOYSA-N 1 2 332.360 0.283 20 30 ECEDLO CC[C@@]1(c2cnn(C)c2)NC(=O)N(C[NH+]2CCC(C#N)CC2)C1=O ZINC000124042266 590115262 /nfs/dbraw/zinc/11/52/62/590115262.db2.gz SJMMSNSLAQRICE-INIZCTEOSA-N 1 2 330.392 0.770 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(c2cccc(Br)n2)CC1 ZINC000865507114 590147849 /nfs/dbraw/zinc/14/78/49/590147849.db2.gz ZNLBEOJCYYKXJS-UHFFFAOYSA-N 1 2 337.221 0.716 20 30 ECEDLO C=CCOCCNC(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000875473670 590304677 /nfs/dbraw/zinc/30/46/77/590304677.db2.gz AAIHZHBHPCVVSJ-LSDHHAIUSA-N 1 2 332.404 0.749 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000875604866 590314698 /nfs/dbraw/zinc/31/46/98/590314698.db2.gz TXRDFGIIFPGCDY-KFWWJZLASA-N 1 2 332.404 0.447 20 30 ECEDLO COC(=O)CNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000879589375 590326115 /nfs/dbraw/zinc/32/61/15/590326115.db2.gz SBMSFMNVTWXTGV-GFCCVEGCSA-N 1 2 348.378 0.497 20 30 ECEDLO C[C@H](NC(=O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1)C(=O)N(C)C ZINC000879586036 590326222 /nfs/dbraw/zinc/32/62/22/590326222.db2.gz WJGKQCCEEVGFJC-AWEZNQCLSA-N 1 2 343.431 0.273 20 30 ECEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)cc1 ZINC000879613662 590329373 /nfs/dbraw/zinc/32/93/73/590329373.db2.gz PDFMZVVBRJMGGJ-SJORKVTESA-N 1 2 347.415 0.759 20 30 ECEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](O)[C@@H](O)C2)cc1 ZINC000879613662 590329375 /nfs/dbraw/zinc/32/93/75/590329375.db2.gz PDFMZVVBRJMGGJ-SJORKVTESA-N 1 2 347.415 0.759 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879941304 590353658 /nfs/dbraw/zinc/35/36/58/590353658.db2.gz WXFVZPYUWTVPLT-FRRDWIJNSA-N 1 2 325.434 0.304 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879941304 590353661 /nfs/dbraw/zinc/35/36/61/590353661.db2.gz WXFVZPYUWTVPLT-FRRDWIJNSA-N 1 2 325.434 0.304 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)nn1 ZINC000881229248 590441360 /nfs/dbraw/zinc/44/13/60/590441360.db2.gz FLUXMTJMPMSOJQ-ZDUSSCGKSA-N 1 2 341.419 0.619 20 30 ECEDLO CCCNC(=O)CON=C(N)c1cccc(C[NH+]2CCOCC2)c1 ZINC000129171211 590464926 /nfs/dbraw/zinc/46/49/26/590464926.db2.gz IPUMDKGJNHIIEA-UHFFFAOYSA-N 1 2 334.420 0.682 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](Cc2ccc(C)c(C(=O)OC)c2)CC1 ZINC000878049606 590494519 /nfs/dbraw/zinc/49/45/19/590494519.db2.gz LKJKGNHHCSRWDH-UHFFFAOYSA-N 1 2 343.427 0.649 20 30 ECEDLO COc1ccc(C(=O)NC(=O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000878773689 590541463 /nfs/dbraw/zinc/54/14/63/590541463.db2.gz IWAJFERIRZXWCZ-KBPBESRZSA-N 1 2 344.415 0.870 20 30 ECEDLO CCOC(=O)C1=C(C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)NC(=O)N[C@H]1C ZINC000878776190 590541593 /nfs/dbraw/zinc/54/15/93/590541593.db2.gz IWIORUMSYDEJLK-AVGNSLFASA-N 1 2 349.435 0.423 20 30 ECEDLO CO[C@H]1C[C@@H]2C[N@H+](CC(=O)NCCC#N)Cc3cccnc3N2C1 ZINC000879272217 590576069 /nfs/dbraw/zinc/57/60/69/590576069.db2.gz NZIFDMRISYELHZ-CABCVRRESA-N 1 2 329.404 0.521 20 30 ECEDLO CO[C@H]1C[C@@H]2C[N@@H+](CC(=O)NCCC#N)Cc3cccnc3N2C1 ZINC000879272217 590576071 /nfs/dbraw/zinc/57/60/71/590576071.db2.gz NZIFDMRISYELHZ-CABCVRRESA-N 1 2 329.404 0.521 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(N2CCCC2)nc1 ZINC000884007376 590703506 /nfs/dbraw/zinc/70/35/06/590703506.db2.gz YNWQRSPECQWSDT-AWEZNQCLSA-N 1 2 332.404 0.745 20 30 ECEDLO N#C[C@@]12CN(C(=O)[C@H]3CC[N@@H+]3C3CCCC3)C[C@@H]1CS(=O)(=O)C2 ZINC000885310731 590713452 /nfs/dbraw/zinc/71/34/52/590713452.db2.gz HSNFMGNSCWYIQV-XPKDYRNWSA-N 1 2 337.445 0.400 20 30 ECEDLO N#C[C@@]12CN(C(=O)[C@H]3CC[N@H+]3C3CCCC3)C[C@@H]1CS(=O)(=O)C2 ZINC000885310731 590713455 /nfs/dbraw/zinc/71/34/55/590713455.db2.gz HSNFMGNSCWYIQV-XPKDYRNWSA-N 1 2 337.445 0.400 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCOc1ccc(F)c(F)c1 ZINC000884129467 590750458 /nfs/dbraw/zinc/75/04/58/590750458.db2.gz HVGXUPAHNCZHRS-ZDUSSCGKSA-N 1 2 328.315 0.906 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000884230602 590783869 /nfs/dbraw/zinc/78/38/69/590783869.db2.gz WDSCZAMCNJIDJC-AAEUAGOBSA-N 1 2 336.367 0.362 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000136895936 590796841 /nfs/dbraw/zinc/79/68/41/590796841.db2.gz AJWZCALVYRHAJH-INIZCTEOSA-N 1 2 348.403 0.548 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)NCCC(C)(C)S(C)(=O)=O)C1 ZINC000884415536 590823340 /nfs/dbraw/zinc/82/33/40/590823340.db2.gz YHPLVXYGKMKFAF-ZDUSSCGKSA-N 1 2 329.466 0.597 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NCCC(C)(C)S(C)(=O)=O)C1 ZINC000884415536 590823344 /nfs/dbraw/zinc/82/33/44/590823344.db2.gz YHPLVXYGKMKFAF-ZDUSSCGKSA-N 1 2 329.466 0.597 20 30 ECEDLO C#CC[N@@H+](Cc1nc(=O)n(C)[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426045 590842743 /nfs/dbraw/zinc/84/27/43/590842743.db2.gz FJGOOIZCZJTMCI-UHFFFAOYSA-N 1 2 349.435 0.943 20 30 ECEDLO C#CC[N@H+](Cc1nc(=O)n(C)[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426045 590842746 /nfs/dbraw/zinc/84/27/46/590842746.db2.gz FJGOOIZCZJTMCI-UHFFFAOYSA-N 1 2 349.435 0.943 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H](NC(=O)N2CCCC2)[C@H](C)CC)CC1 ZINC000134931661 590847413 /nfs/dbraw/zinc/84/74/13/590847413.db2.gz PCVUYGFZIFXKGG-CVEARBPZSA-N 1 2 334.464 0.984 20 30 ECEDLO C=CCC1(O)CCN(c2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CC1 ZINC000884724565 590911918 /nfs/dbraw/zinc/91/19/18/590911918.db2.gz XMRUXDJTGLSUEQ-UHFFFAOYSA-N 1 2 331.420 0.662 20 30 ECEDLO C=CCC1(O)CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC000884724565 590911923 /nfs/dbraw/zinc/91/19/23/590911923.db2.gz XMRUXDJTGLSUEQ-UHFFFAOYSA-N 1 2 331.420 0.662 20 30 ECEDLO COc1ccc(O)c(/C=[NH+]/CCc2nnc3c(=O)n(C)ccn23)c1 ZINC000887270887 590955818 /nfs/dbraw/zinc/95/58/18/590955818.db2.gz VXBACLZEASZURR-LICLKQGHSA-N 1 2 327.344 0.804 20 30 ECEDLO O=C(C#CC1CC1)N1CCC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000946696411 611418284 /nfs/dbraw/zinc/41/82/84/611418284.db2.gz NYESBGDMRGMJPX-OAHLLOKOSA-N 1 2 340.427 0.966 20 30 ECEDLO CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](CO)C[NH+](C)C)c1 ZINC000935981541 611421978 /nfs/dbraw/zinc/42/19/78/611421978.db2.gz QIROTRMHBREOMB-AWEZNQCLSA-N 1 2 338.429 0.136 20 30 ECEDLO C=C1CCC(CNC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)CC1 ZINC000926539813 611554690 /nfs/dbraw/zinc/55/46/90/611554690.db2.gz KGOAPLZCFXAQEG-OAHLLOKOSA-N 1 2 338.452 0.560 20 30 ECEDLO C=C1CCC(CNC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)CC1 ZINC000926539813 611554692 /nfs/dbraw/zinc/55/46/92/611554692.db2.gz KGOAPLZCFXAQEG-OAHLLOKOSA-N 1 2 338.452 0.560 20 30 ECEDLO COC(=O)c1cccc(C[N@@H+]2CCC(OC)(OC)[C@@H](O)C2)c1C#N ZINC000931633122 611558424 /nfs/dbraw/zinc/55/84/24/611558424.db2.gz CDWYFHARFMZEDK-HNNXBMFYSA-N 1 2 334.372 0.901 20 30 ECEDLO COC(=O)c1cccc(C[N@H+]2CCC(OC)(OC)[C@@H](O)C2)c1C#N ZINC000931633122 611558425 /nfs/dbraw/zinc/55/84/25/611558425.db2.gz CDWYFHARFMZEDK-HNNXBMFYSA-N 1 2 334.372 0.901 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cnon3)[C@@H](C)C2)nn1 ZINC000947791422 608737148 /nfs/dbraw/zinc/73/71/48/608737148.db2.gz BZSZNBHQXYTEDX-RYUDHWBXSA-N 1 2 331.380 0.630 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cnon3)[C@@H](C)C2)nn1 ZINC000947791422 608737150 /nfs/dbraw/zinc/73/71/50/608737150.db2.gz BZSZNBHQXYTEDX-RYUDHWBXSA-N 1 2 331.380 0.630 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000931665832 608909317 /nfs/dbraw/zinc/90/93/17/608909317.db2.gz XHFPVRDTZAVPMB-UHFFFAOYSA-N 1 2 340.449 0.482 20 30 ECEDLO CN(C(=O)Cn1cc[nH+]c1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000937212287 609049020 /nfs/dbraw/zinc/04/90/20/609049020.db2.gz UAEKZPOPXBZMNX-AWEZNQCLSA-N 1 2 326.360 0.456 20 30 ECEDLO COc1ccc(C(N)=[NH+]OCC(=O)N(C)Cc2cnn(C)c2)cc1 ZINC000177555734 609086889 /nfs/dbraw/zinc/08/68/89/609086889.db2.gz YOVYYVCIXSXYJK-UHFFFAOYSA-N 1 2 331.376 0.724 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000937272195 609096526 /nfs/dbraw/zinc/09/65/26/609096526.db2.gz LIXQLXANHAAGJP-CQSZACIVSA-N 1 2 340.387 0.915 20 30 ECEDLO CC(=O)N[C@H]1CCCN(C(=O)CO[NH+]=C(N)Cc2ccccc2)C1 ZINC000151210660 609658543 /nfs/dbraw/zinc/65/85/43/609658543.db2.gz NABZNTBCHKMJEZ-HNNXBMFYSA-N 1 2 332.404 0.645 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3ncon3)n2C[C@H]2CCCO2)CC1 ZINC000909780955 609697185 /nfs/dbraw/zinc/69/71/85/609697185.db2.gz SYCFFYXNESSFRU-CYBMUJFWSA-N 1 2 343.391 0.262 20 30 ECEDLO N#Cc1ncccc1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921322741 609703523 /nfs/dbraw/zinc/70/35/23/609703523.db2.gz XIKFZVRXJATOTN-DGCLKSJQSA-N 1 2 338.458 0.811 20 30 ECEDLO N#Cc1ncccc1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000921322741 609703526 /nfs/dbraw/zinc/70/35/26/609703526.db2.gz XIKFZVRXJATOTN-DGCLKSJQSA-N 1 2 338.458 0.811 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000938386621 609768372 /nfs/dbraw/zinc/76/83/72/609768372.db2.gz WHQPTIGVFNKGBS-GUTXKFCHSA-N 1 2 332.404 0.569 20 30 ECEDLO C#CC[C@@H](CO)NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000913927082 609835921 /nfs/dbraw/zinc/83/59/21/609835921.db2.gz UKOSYHOUDABKNV-KRWDZBQOSA-N 1 2 331.416 0.702 20 30 ECEDLO N#Cc1sccc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000917066438 609961046 /nfs/dbraw/zinc/96/10/46/609961046.db2.gz KMBFUZUGMUAVQN-NSHDSACASA-N 1 2 326.447 0.288 20 30 ECEDLO N#Cc1sccc1S(=O)(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000917066438 609961047 /nfs/dbraw/zinc/96/10/47/609961047.db2.gz KMBFUZUGMUAVQN-NSHDSACASA-N 1 2 326.447 0.288 20 30 ECEDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2sccc2C#N)CC1 ZINC000068507792 609999488 /nfs/dbraw/zinc/99/94/88/609999488.db2.gz CJGGSRJSYKQSEY-UHFFFAOYSA-N 1 2 341.458 0.859 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000938940575 610052906 /nfs/dbraw/zinc/05/29/06/610052906.db2.gz JUJJDXNSXUOTDQ-OAGGEKHMSA-N 1 2 346.431 0.924 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000938984213 610060914 /nfs/dbraw/zinc/06/09/14/610060914.db2.gz POWVPBLYPOAGAZ-LZWOXQAQSA-N 1 2 346.431 0.911 20 30 ECEDLO C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@H]1C ZINC000939334621 610164061 /nfs/dbraw/zinc/16/40/61/610164061.db2.gz QFIWTGUEBTZCLL-DGCLKSJQSA-N 1 2 330.392 0.084 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000939908627 610169051 /nfs/dbraw/zinc/16/90/51/610169051.db2.gz RCXOYRHYQZXBDY-ZDUSSCGKSA-N 1 2 326.360 0.525 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCn4nccc43)CC2)C1 ZINC000941463494 610321704 /nfs/dbraw/zinc/32/17/04/610321704.db2.gz YSZDZJDQVVMJTQ-MRXNPFEDSA-N 1 2 327.432 0.222 20 30 ECEDLO C#CCCN1CC(N2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)C1 ZINC000941474872 610331404 /nfs/dbraw/zinc/33/14/04/610331404.db2.gz BBRKGYIDIZCZEJ-UHFFFAOYSA-N 1 2 337.427 0.800 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc4ccncc4n3)CC2)C1 ZINC000941487195 610338837 /nfs/dbraw/zinc/33/88/37/610338837.db2.gz HERYHGRSSOHEQR-UHFFFAOYSA-N 1 2 335.411 0.705 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3OCCc4ccccc43)CC2)C1 ZINC000941512700 610351961 /nfs/dbraw/zinc/35/19/61/610351961.db2.gz VEMSREJJSBEGIS-LJQANCHMSA-N 1 2 339.439 0.762 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCc4cccnc43)CC2)C1 ZINC000941532197 610363805 /nfs/dbraw/zinc/36/38/05/610363805.db2.gz ROCAXYKTQZMSLC-SFHVURJKSA-N 1 2 338.455 0.963 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cnon2)CC1(C)C ZINC000940807015 610372494 /nfs/dbraw/zinc/37/24/94/610372494.db2.gz FUEMIVKKILZFRC-JKSUJKDBSA-N 1 2 345.447 0.884 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cnon2)CC1(C)C ZINC000940807015 610372497 /nfs/dbraw/zinc/37/24/97/610372497.db2.gz FUEMIVKKILZFRC-JKSUJKDBSA-N 1 2 345.447 0.884 20 30 ECEDLO C=CCn1cccc1C(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000942277997 610379277 /nfs/dbraw/zinc/37/92/77/610379277.db2.gz POVZAMVMVGNTPJ-CYBMUJFWSA-N 1 2 327.388 0.971 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCN(C3C[NH+]([C@H]4CCCNC4=O)C3)CC2)C1 ZINC000941559614 610381946 /nfs/dbraw/zinc/38/19/46/610381946.db2.gz GGENWWGQJYDUPO-INIZCTEOSA-N 1 2 346.475 0.450 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C3(CF)CCOCC3)CC2)C1 ZINC000941566374 610386596 /nfs/dbraw/zinc/38/65/96/610386596.db2.gz DLNXZPVTCCBYNM-UHFFFAOYSA-N 1 2 337.439 0.604 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3csc4cncn43)CC2)C1 ZINC000941590404 610387245 /nfs/dbraw/zinc/38/72/45/610387245.db2.gz OCUUEMOBDRDVLV-UHFFFAOYSA-N 1 2 343.456 0.861 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCc3scnc3C)CC2)C1 ZINC000941627247 610416122 /nfs/dbraw/zinc/41/61/22/610416122.db2.gz ANNSASWQZITRGQ-UHFFFAOYSA-N 1 2 332.473 0.846 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCO[C@@H](C(C)C)C3)CC2)C1 ZINC000941632648 610418694 /nfs/dbraw/zinc/41/86/94/610418694.db2.gz MVVHWTGDXHUYPT-FUHWJXTLSA-N 1 2 333.476 0.899 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000940901283 610426455 /nfs/dbraw/zinc/42/64/55/610426455.db2.gz SZCQNZCXMCFDNF-CHWSQXEVSA-N 1 2 329.404 0.639 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 ZINC000941655393 610430304 /nfs/dbraw/zinc/43/03/04/610430304.db2.gz WYQPMNAJRJAUDS-GOSISDBHSA-N 1 2 341.411 0.288 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccc(OC)c3OC)CC2)C1 ZINC000941651027 610440999 /nfs/dbraw/zinc/44/09/99/610440999.db2.gz OTHKJZQIAITVGU-UHFFFAOYSA-N 1 2 343.427 0.779 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3sc(COC)nc3C)CC2)C1 ZINC000941653391 610443244 /nfs/dbraw/zinc/44/32/44/610443244.db2.gz RNAWCDLNXAJSHH-UHFFFAOYSA-N 1 2 348.472 0.673 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cn(C)nc3C(C)C)CC2)C1 ZINC000941665460 610456771 /nfs/dbraw/zinc/45/67/71/610456771.db2.gz ZLAKZDBYUGQDGT-UHFFFAOYSA-N 1 2 329.448 0.619 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CCC2)C[C@H]1OC ZINC000942516509 610495915 /nfs/dbraw/zinc/49/59/15/610495915.db2.gz HPAHNHAUCJUCPB-OWCLPIDISA-N 1 2 333.432 0.226 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CCC2)C[C@H]1OC ZINC000942516509 610495917 /nfs/dbraw/zinc/49/59/17/610495917.db2.gz HPAHNHAUCJUCPB-OWCLPIDISA-N 1 2 333.432 0.226 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2ncnn2C)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941962477 610585521 /nfs/dbraw/zinc/58/55/21/610585521.db2.gz FIJIKUGFDKNBNI-RISCZKNCSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2ncnn2C)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941962477 610585524 /nfs/dbraw/zinc/58/55/24/610585524.db2.gz FIJIKUGFDKNBNI-RISCZKNCSA-N 1 2 327.392 0.655 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000941309742 610661500 /nfs/dbraw/zinc/66/15/00/610661500.db2.gz XNGGSUBCSXDGCL-YCPHGPKFSA-N 1 2 332.404 0.581 20 30 ECEDLO Cc1nc(C)c(C[NH+]2CC(N3CCN(C(=O)[C@H](C)C#N)CC3)C2)o1 ZINC000941348409 610685028 /nfs/dbraw/zinc/68/50/28/610685028.db2.gz NDFICJIXWXUIDR-GFCCVEGCSA-N 1 2 331.420 0.780 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nncn3C)C[C@H]2C)cn1 ZINC000944213847 610786072 /nfs/dbraw/zinc/78/60/72/610786072.db2.gz GSVLFQQDKKUEGO-CJNGLKHVSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nncn3C)C[C@H]2C)cn1 ZINC000944213847 610786073 /nfs/dbraw/zinc/78/60/73/610786073.db2.gz GSVLFQQDKKUEGO-CJNGLKHVSA-N 1 2 338.415 0.832 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000944328254 610839075 /nfs/dbraw/zinc/83/90/75/610839075.db2.gz DCHYSEHXXXYSII-KFWWJZLASA-N 1 2 332.404 0.651 20 30 ECEDLO O=C(C#CC1CC1)N1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000944932834 610848861 /nfs/dbraw/zinc/84/88/61/610848861.db2.gz JANVBNOSOXBDHV-UHFFFAOYSA-N 1 2 326.400 0.817 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC000944415826 610858051 /nfs/dbraw/zinc/85/80/51/610858051.db2.gz FRQXBDATBKMLFZ-CYBMUJFWSA-N 1 2 329.404 0.953 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ncccn3)C[C@H]2C)nn1 ZINC000943481979 610868813 /nfs/dbraw/zinc/86/88/13/610868813.db2.gz MRIJLMBUZASKRK-ZIAGYGMSSA-N 1 2 341.419 0.895 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ncccn3)C[C@H]2C)nn1 ZINC000943481979 610868814 /nfs/dbraw/zinc/86/88/14/610868814.db2.gz MRIJLMBUZASKRK-ZIAGYGMSSA-N 1 2 341.419 0.895 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)CCc1c[nH+]cn1C)CC2 ZINC000945003848 610876936 /nfs/dbraw/zinc/87/69/36/610876936.db2.gz UUYOMPAFOMCZOI-CQSZACIVSA-N 1 2 343.431 0.963 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1 ZINC000943592350 610906476 /nfs/dbraw/zinc/90/64/76/610906476.db2.gz YEHRRRKMIUKISO-RKVPGOIHSA-N 1 2 348.447 0.907 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)Cc2c[nH]c[nH+]2)c[nH]1 ZINC000946325955 611218773 /nfs/dbraw/zinc/21/87/73/611218773.db2.gz OKDXBUGQHHYOJN-NHYWBVRUSA-N 1 2 340.387 0.867 20 30 ECEDLO C#CC[C@H](CO)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000923343778 611231920 /nfs/dbraw/zinc/23/19/20/611231920.db2.gz AMLIZKOXVZVZTF-MSOLQXFVSA-N 1 2 344.459 0.486 20 30 ECEDLO C#CC[C@H](CO)NC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000923343778 611231921 /nfs/dbraw/zinc/23/19/21/611231921.db2.gz AMLIZKOXVZVZTF-MSOLQXFVSA-N 1 2 344.459 0.486 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCc2c([nH+]cn2CC)C1 ZINC000922030195 611332161 /nfs/dbraw/zinc/33/21/61/611332161.db2.gz UCCVASUWMLLVHX-LBPRGKRZSA-N 1 2 325.438 0.987 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCOC2(CC[NH+]([C@H](C)c3nnnn3C)CC2)C1 ZINC000949053855 611830672 /nfs/dbraw/zinc/83/06/72/611830672.db2.gz MSNINGQIQGVYSX-CHWSQXEVSA-N 1 2 347.423 0.124 20 30 ECEDLO C[C@H](c1nnnn1C)[NH+]1CCC2(CC1)CN(C(=O)[C@@H](C)C#N)CCO2 ZINC000949053857 611830817 /nfs/dbraw/zinc/83/08/17/611830817.db2.gz MSNINGQIQGVYSX-QWHCGFSZSA-N 1 2 347.423 0.124 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000949387026 611960694 /nfs/dbraw/zinc/96/06/94/611960694.db2.gz FTTHJGVSCGZDLF-DZGCQCFKSA-N 1 2 343.431 0.960 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000949387015 611960726 /nfs/dbraw/zinc/96/07/26/611960726.db2.gz FGUBLTAZAHHOQA-HIFRSBDPSA-N 1 2 343.431 0.960 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCNC(=O)CC3)CC2)C1 ZINC000949427120 611975704 /nfs/dbraw/zinc/97/57/04/611975704.db2.gz FHZFIKDMTCNASW-OAHLLOKOSA-N 1 2 333.432 0.229 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCNC(=O)CC3)CC2)C1 ZINC000949427120 611975705 /nfs/dbraw/zinc/97/57/05/611975705.db2.gz FHZFIKDMTCNASW-OAHLLOKOSA-N 1 2 333.432 0.229 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3c(C)nn(C)c3F)CC2)C1 ZINC000949520436 612018647 /nfs/dbraw/zinc/01/86/47/612018647.db2.gz SAYOXSLRNXDKPH-UHFFFAOYSA-N 1 2 334.395 0.808 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3c(C)nn(C)c3F)CC2)C1 ZINC000949520436 612018649 /nfs/dbraw/zinc/01/86/49/612018649.db2.gz SAYOXSLRNXDKPH-UHFFFAOYSA-N 1 2 334.395 0.808 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N[C@H]1CCCN(C(=O)[C@@H](C)C#N)C1 ZINC000951869631 612105316 /nfs/dbraw/zinc/10/53/16/612105316.db2.gz GFMOVELIFHOFJK-JSGCOSHPSA-N 1 2 330.388 0.900 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000952941124 612132446 /nfs/dbraw/zinc/13/24/46/612132446.db2.gz IBMGBFXNFWGFLF-CXAGYDPISA-N 1 2 329.404 0.953 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCN2C(=O)Cc2c[nH+]cn2C)c1 ZINC000952011897 612175439 /nfs/dbraw/zinc/17/54/39/612175439.db2.gz GCSXWRCBGMFCNK-HNNXBMFYSA-N 1 2 337.383 0.370 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCN2C(=O)CCn2cc[nH+]c2)c1 ZINC000952014741 612177241 /nfs/dbraw/zinc/17/72/41/612177241.db2.gz SZKMIOXKRQGFFT-INIZCTEOSA-N 1 2 337.383 0.680 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC000952014378 612177383 /nfs/dbraw/zinc/17/73/83/612177383.db2.gz KOXXANZGILVVST-BZUAXINKSA-N 1 2 349.394 0.920 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC000952014378 612177385 /nfs/dbraw/zinc/17/73/85/612177385.db2.gz KOXXANZGILVVST-BZUAXINKSA-N 1 2 349.394 0.920 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)CCc2[nH]cc[nH+]2)nc1 ZINC000951377524 612193975 /nfs/dbraw/zinc/19/39/75/612193975.db2.gz ADXWOPRRNNQUAT-AWEZNQCLSA-N 1 2 337.383 0.750 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC000951493966 612269072 /nfs/dbraw/zinc/26/90/72/612269072.db2.gz GVGKJMVPNOJVDH-MRXNPFEDSA-N 1 2 337.383 0.680 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)C1CN(C(=O)[C@H](C)C#N)C1)C2 ZINC000954609016 612447512 /nfs/dbraw/zinc/44/75/12/612447512.db2.gz OPBNGVWGOLGZCT-ZYHUDNBSSA-N 1 2 329.404 0.652 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)C1CN(C(=O)[C@H](C)C#N)C1)CC2 ZINC000954609016 612447517 /nfs/dbraw/zinc/44/75/17/612447517.db2.gz OPBNGVWGOLGZCT-ZYHUDNBSSA-N 1 2 329.404 0.652 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C(=O)C(C)(C)C)C1 ZINC000954631521 612470456 /nfs/dbraw/zinc/47/04/56/612470456.db2.gz ZAPIBOFOMLVMOY-AWEZNQCLSA-N 1 2 333.432 0.368 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C(=O)C(C)(C)C)C1 ZINC000954631521 612470459 /nfs/dbraw/zinc/47/04/59/612470459.db2.gz ZAPIBOFOMLVMOY-AWEZNQCLSA-N 1 2 333.432 0.368 20 30 ECEDLO C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000956832481 612602459 /nfs/dbraw/zinc/60/24/59/612602459.db2.gz DGFLLJADDAJEJC-KRWDZBQOSA-N 1 2 340.387 0.894 20 30 ECEDLO CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000954839088 612734213 /nfs/dbraw/zinc/73/42/13/612734213.db2.gz SXZJVVYFVHRBKA-UHFFFAOYSA-N 1 2 340.387 0.870 20 30 ECEDLO C[C@@H](CNC(=O)Cc1cccc(OCC#N)c1)[NH+]1CCN(C)CC1 ZINC000089829743 612763314 /nfs/dbraw/zinc/76/33/14/612763314.db2.gz JHWZBMOZNKLKAK-HNNXBMFYSA-N 1 2 330.432 0.884 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000954934893 612797869 /nfs/dbraw/zinc/79/78/69/612797869.db2.gz KTVNTSBMRSFLIT-YOEHRIQHSA-N 1 2 346.431 0.911 20 30 ECEDLO CC1(NC(=O)c2ccc(C#N)[nH]2)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000956340849 612842269 /nfs/dbraw/zinc/84/22/69/612842269.db2.gz NQPCBFIYFAVWJP-UHFFFAOYSA-N 1 2 340.387 0.963 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC000956573991 612914997 /nfs/dbraw/zinc/91/49/97/612914997.db2.gz WCXBIFUWLKZLNK-ULQDDVLXSA-N 1 2 335.448 0.733 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CC3(O)CCC3)CC2)C1 ZINC000956591568 612920865 /nfs/dbraw/zinc/92/08/65/612920865.db2.gz CDJSMRYFZYCBCM-LSDHHAIUSA-N 1 2 348.447 0.196 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)Cc3ccc[nH]3)C2)CC1 ZINC000956606192 612924828 /nfs/dbraw/zinc/92/48/28/612924828.db2.gz PEWBJPLSRYFEQN-ZBFHGGJFSA-N 1 2 343.431 0.462 20 30 ECEDLO Cn1nnc(C[NH2+]C[C@H]2CCCCN2C(=O)c2ccc(C#N)[nH]2)n1 ZINC001024933113 738408134 /nfs/dbraw/zinc/40/81/34/738408134.db2.gz QUGGVLVUMTUDKO-GFCCVEGCSA-N 1 2 328.380 0.194 20 30 ECEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2snnc2CC)[C@@H](n2ccnn2)C1 ZINC001069973125 790264925 /nfs/dbraw/zinc/26/49/25/790264925.db2.gz NFWROJFKNNDDGF-OLZOCXBDSA-N 1 2 347.448 0.923 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2snnc2CC)[C@@H](n2ccnn2)C1 ZINC001069973125 790264928 /nfs/dbraw/zinc/26/49/28/790264928.db2.gz NFWROJFKNNDDGF-OLZOCXBDSA-N 1 2 347.448 0.923 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)Cn2nc(C)cc2C)[C@@H](n2ccnn2)C1 ZINC001069974631 790267750 /nfs/dbraw/zinc/26/77/50/790267750.db2.gz IEMQCNDQPWZQKZ-CVEARBPZSA-N 1 2 341.419 0.156 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)Cn2nc(C)cc2C)[C@@H](n2ccnn2)C1 ZINC001069974631 790267751 /nfs/dbraw/zinc/26/77/51/790267751.db2.gz IEMQCNDQPWZQKZ-CVEARBPZSA-N 1 2 341.419 0.156 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3[nH]ccc3n2)[C@@H](n2ccnn2)C1 ZINC001069976824 790269636 /nfs/dbraw/zinc/26/96/36/790269636.db2.gz CWTWFTYLXDYQSF-CVEARBPZSA-N 1 2 335.371 0.443 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3[nH]ccc3n2)[C@@H](n2ccnn2)C1 ZINC001069976824 790269641 /nfs/dbraw/zinc/26/96/41/790269641.db2.gz CWTWFTYLXDYQSF-CVEARBPZSA-N 1 2 335.371 0.443 20 30 ECEDLO N#CCN1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](n2ccnn2)C1 ZINC001069977512 790270419 /nfs/dbraw/zinc/27/04/19/790270419.db2.gz UWKPKXGTDORGTQ-OCCSQVGLSA-N 1 2 336.359 0.105 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH]c[nH+]1 ZINC000969235395 731629918 /nfs/dbraw/zinc/62/99/18/731629918.db2.gz DJEGIEKVXJYVFW-IYBDPMFKSA-N 1 2 326.400 0.958 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]c[nH]1 ZINC000969235395 731629919 /nfs/dbraw/zinc/62/99/19/731629919.db2.gz DJEGIEKVXJYVFW-IYBDPMFKSA-N 1 2 326.400 0.958 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000969299297 731691296 /nfs/dbraw/zinc/69/12/96/731691296.db2.gz DYGLWLYMQAXMOQ-RKQHYHRCSA-N 1 2 327.388 0.875 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000969299297 731691298 /nfs/dbraw/zinc/69/12/98/731691298.db2.gz DYGLWLYMQAXMOQ-RKQHYHRCSA-N 1 2 327.388 0.875 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ncccc2OCC)C1 ZINC001211501664 731777292 /nfs/dbraw/zinc/77/72/92/731777292.db2.gz LYONZRSWDGRHMW-ZIAGYGMSSA-N 1 2 346.431 0.833 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ncccc2OCC)C1 ZINC001211501664 731777293 /nfs/dbraw/zinc/77/72/93/731777293.db2.gz LYONZRSWDGRHMW-ZIAGYGMSSA-N 1 2 346.431 0.833 20 30 ECEDLO COc1ccc(C[NH+]2CC([C@@H](C)NC(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC000969463199 731910318 /nfs/dbraw/zinc/91/03/18/731910318.db2.gz LHEWUQWFVRDHPH-LLVKDONJSA-N 1 2 340.387 0.935 20 30 ECEDLO COc1ccc(C[NH+]2CC([C@H](C)NC(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC000969514362 731940882 /nfs/dbraw/zinc/94/08/82/731940882.db2.gz NMOGWRIVVMCQMI-NSHDSACASA-N 1 2 340.387 0.935 20 30 ECEDLO COc1cncc(C[NH+]2CC([C@H](C)NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000969525712 731948378 /nfs/dbraw/zinc/94/83/78/731948378.db2.gz CZVOHVXJWSHIMR-NSHDSACASA-N 1 2 340.387 0.935 20 30 ECEDLO CN(C[C@@H](O)CN(C)c1ncccc1C#N)C(=O)CCc1c[nH]c[nH+]1 ZINC001125322468 733008273 /nfs/dbraw/zinc/00/82/73/733008273.db2.gz ZNRICSLBIOMCKQ-OAHLLOKOSA-N 1 2 342.403 0.565 20 30 ECEDLO CN(C[C@@H](O)CN(C)c1ncccc1C#N)C(=O)CCc1c[nH+]c[nH]1 ZINC001125322468 733008277 /nfs/dbraw/zinc/00/82/77/733008277.db2.gz ZNRICSLBIOMCKQ-OAHLLOKOSA-N 1 2 342.403 0.565 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2O)CC1 ZINC000970335417 733379618 /nfs/dbraw/zinc/37/96/18/733379618.db2.gz MVTIEWHYVQVIIH-CABCVRRESA-N 1 2 332.404 0.317 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2O)C1 ZINC000970395077 733462204 /nfs/dbraw/zinc/46/22/04/733462204.db2.gz PTQQYNFLHDWNDO-KGLIPLIRSA-N 1 2 332.404 0.007 20 30 ECEDLO N#Cc1ccc(N2CCO[C@H](CNC(=O)CCc3[nH]cc[nH+]3)C2)nc1 ZINC001104308155 734196769 /nfs/dbraw/zinc/19/67/69/734196769.db2.gz CMAQLBKUZXYNRI-CQSZACIVSA-N 1 2 340.387 0.631 20 30 ECEDLO Cc1nc(C2CC2)oc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114943138 734236233 /nfs/dbraw/zinc/23/62/33/734236233.db2.gz TWRBEPXJSYTTSS-IMRBUKKESA-N 1 2 343.387 0.160 20 30 ECEDLO Cc1nc(C2CC2)oc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114943138 734236235 /nfs/dbraw/zinc/23/62/35/734236235.db2.gz TWRBEPXJSYTTSS-IMRBUKKESA-N 1 2 343.387 0.160 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CN(c2cc(C)[nH+]c(CC)n2)CCO1 ZINC001104316598 734258846 /nfs/dbraw/zinc/25/88/46/734258846.db2.gz FBYNFMPYLUXXKQ-RDTXWAMCSA-N 1 2 348.447 0.996 20 30 ECEDLO N#Cc1c(F)cccc1N1CCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001104321344 734295581 /nfs/dbraw/zinc/29/55/81/734295581.db2.gz BNGHMSQGCJMURY-CYBMUJFWSA-N 1 2 343.362 0.915 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC000971214148 734364791 /nfs/dbraw/zinc/36/47/91/734364791.db2.gz PMQVKFNYLHXDMP-UKRRQHHQSA-N 1 2 331.420 0.651 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC000971214148 734364792 /nfs/dbraw/zinc/36/47/92/734364792.db2.gz PMQVKFNYLHXDMP-UKRRQHHQSA-N 1 2 331.420 0.651 20 30 ECEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC000971593376 734774435 /nfs/dbraw/zinc/77/44/35/734774435.db2.gz VLBUGCBMPLMRPX-MRXNPFEDSA-N 1 2 347.440 0.636 20 30 ECEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC000971593376 734774437 /nfs/dbraw/zinc/77/44/37/734774437.db2.gz VLBUGCBMPLMRPX-MRXNPFEDSA-N 1 2 347.440 0.636 20 30 ECEDLO CC(C)(C#N)C(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001143398258 734876810 /nfs/dbraw/zinc/87/68/10/734876810.db2.gz GBHYSKADAIEDMH-UHFFFAOYSA-N 1 2 340.387 0.770 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC000971842352 735221742 /nfs/dbraw/zinc/22/17/42/735221742.db2.gz XFMIAPIULZQVAP-NEPJUHHUSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC000971842352 735221746 /nfs/dbraw/zinc/22/17/46/735221746.db2.gz XFMIAPIULZQVAP-NEPJUHHUSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC000972191117 735769973 /nfs/dbraw/zinc/76/99/73/735769973.db2.gz CZOOQADPEJHBEV-JTQLQIEISA-N 1 2 341.209 0.825 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC000972191117 735769974 /nfs/dbraw/zinc/76/99/74/735769974.db2.gz CZOOQADPEJHBEV-JTQLQIEISA-N 1 2 341.209 0.825 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(C)nnn3CC)C2)C1 ZINC000972407308 736135694 /nfs/dbraw/zinc/13/56/94/736135694.db2.gz FBLZLEWREANKGH-QGZVFWFLSA-N 1 2 331.420 0.547 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(C)nnn3CC)C2)C1 ZINC000972407308 736135698 /nfs/dbraw/zinc/13/56/98/736135698.db2.gz FBLZLEWREANKGH-QGZVFWFLSA-N 1 2 331.420 0.547 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3cc(C4CC4)nn3)C2)C1 ZINC000972411332 736145495 /nfs/dbraw/zinc/14/54/95/736145495.db2.gz YKMJIDIPODBRGP-KRWDZBQOSA-N 1 2 329.404 0.092 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3cc(C4CC4)nn3)C2)C1 ZINC000972411332 736145499 /nfs/dbraw/zinc/14/54/99/736145499.db2.gz YKMJIDIPODBRGP-KRWDZBQOSA-N 1 2 329.404 0.092 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnn4ncccc34)C2)C1 ZINC000972414269 736151710 /nfs/dbraw/zinc/15/17/10/736151710.db2.gz YKFKALZMGZACCQ-GOSISDBHSA-N 1 2 339.399 0.670 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnn4ncccc34)C2)C1 ZINC000972414269 736151714 /nfs/dbraw/zinc/15/17/14/736151714.db2.gz YKFKALZMGZACCQ-GOSISDBHSA-N 1 2 339.399 0.670 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc4c(cn3)OCCO4)C2)C1 ZINC000972416891 736155396 /nfs/dbraw/zinc/15/53/96/736155396.db2.gz LNOQWFNXHMDGGJ-GOSISDBHSA-N 1 2 345.399 0.956 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc4c(cn3)OCCO4)C2)C1 ZINC000972416891 736155399 /nfs/dbraw/zinc/15/53/99/736155399.db2.gz LNOQWFNXHMDGGJ-GOSISDBHSA-N 1 2 345.399 0.956 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(=O)[nH]c(C4CC4)n3)C2)C1 ZINC000972426664 736175604 /nfs/dbraw/zinc/17/56/04/736175604.db2.gz VPUBNUDAQLLPGP-SFHVURJKSA-N 1 2 342.399 0.610 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)C1 ZINC000972430816 736180817 /nfs/dbraw/zinc/18/08/17/736180817.db2.gz KSRNJEUZFNFPQN-NUJGCVRESA-N 1 2 335.448 0.032 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)C1 ZINC000972430816 736180820 /nfs/dbraw/zinc/18/08/20/736180820.db2.gz KSRNJEUZFNFPQN-NUJGCVRESA-N 1 2 335.448 0.032 20 30 ECEDLO N#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000972441619 736202048 /nfs/dbraw/zinc/20/20/48/736202048.db2.gz SVNFRGGOBFGTKV-WMLDXEAASA-N 1 2 329.404 0.272 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3cncc(OC)c3)C2)C1 ZINC000972459588 736251787 /nfs/dbraw/zinc/25/17/87/736251787.db2.gz XPWZYRJPOAJUKV-LJQANCHMSA-N 1 2 343.427 0.959 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3cncc(OC)c3)C2)C1 ZINC000972459588 736251789 /nfs/dbraw/zinc/25/17/89/736251789.db2.gz XPWZYRJPOAJUKV-LJQANCHMSA-N 1 2 343.427 0.959 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4nccn4c3)C2)C1 ZINC000972463783 736261174 /nfs/dbraw/zinc/26/11/74/736261174.db2.gz XJOAFQUNKNOENI-KRWDZBQOSA-N 1 2 327.388 0.832 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4nccn4c3)C2)C1 ZINC000972463783 736261175 /nfs/dbraw/zinc/26/11/75/736261175.db2.gz XJOAFQUNKNOENI-KRWDZBQOSA-N 1 2 327.388 0.832 20 30 ECEDLO C=C(C)C(=O)NCCCNc1cc(N2CCC(C(N)=O)CC2)nc[nH+]1 ZINC001167666577 736423732 /nfs/dbraw/zinc/42/37/32/736423732.db2.gz SRKXHJJJLQZKOA-UHFFFAOYSA-N 1 2 346.435 0.673 20 30 ECEDLO C=C(C)C(=O)NCCCNc1cc(N2CCC(C(N)=O)CC2)[nH+]cn1 ZINC001167666577 736423733 /nfs/dbraw/zinc/42/37/33/736423733.db2.gz SRKXHJJJLQZKOA-UHFFFAOYSA-N 1 2 346.435 0.673 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nnn(C)c4C3)C2)C1 ZINC000972517809 736537111 /nfs/dbraw/zinc/53/71/11/736537111.db2.gz HPVKSDOCZLRHTC-RDTXWAMCSA-N 1 2 345.447 0.409 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nnn(C)c4C3)C2)C1 ZINC000972517809 736537113 /nfs/dbraw/zinc/53/71/13/736537113.db2.gz HPVKSDOCZLRHTC-RDTXWAMCSA-N 1 2 345.447 0.409 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)COc3cnn(C)c3)C2)C1 ZINC000972523713 736567661 /nfs/dbraw/zinc/56/76/61/736567661.db2.gz LKPZJHGLTOGRPD-QGZVFWFLSA-N 1 2 332.404 0.126 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)COc3cnn(C)c3)C2)C1 ZINC000972523713 736567663 /nfs/dbraw/zinc/56/76/63/736567663.db2.gz LKPZJHGLTOGRPD-QGZVFWFLSA-N 1 2 332.404 0.126 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc4c(cn3)OCCC4)[C@H]2C1 ZINC001083260091 736694585 /nfs/dbraw/zinc/69/45/85/736694585.db2.gz IWVQQUIPFADYGT-DOTOQJQBSA-N 1 2 327.384 0.565 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4c(cn3)OCCC4)[C@H]2C1 ZINC001083260091 736694587 /nfs/dbraw/zinc/69/45/87/736694587.db2.gz IWVQQUIPFADYGT-DOTOQJQBSA-N 1 2 327.384 0.565 20 30 ECEDLO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC000972568574 736850509 /nfs/dbraw/zinc/85/05/09/736850509.db2.gz OTZMYEAVAGPVDH-GFCCVEGCSA-N 1 2 330.392 0.180 20 30 ECEDLO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC000972568574 736850513 /nfs/dbraw/zinc/85/05/13/736850513.db2.gz OTZMYEAVAGPVDH-GFCCVEGCSA-N 1 2 330.392 0.180 20 30 ECEDLO N#CCN1CCC[C@@H](CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001023510561 736941794 /nfs/dbraw/zinc/94/17/94/736941794.db2.gz NDWYIPWRZQNIMF-IRXDYDNUSA-N 1 2 334.464 0.839 20 30 ECEDLO N#CCN1CCC[C@@H](CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001023510561 736941797 /nfs/dbraw/zinc/94/17/97/736941797.db2.gz NDWYIPWRZQNIMF-IRXDYDNUSA-N 1 2 334.464 0.839 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(CC)nn3C)C2)C1 ZINC000972612188 737097571 /nfs/dbraw/zinc/09/75/71/737097571.db2.gz QUVFIESFXGAWOU-GOSISDBHSA-N 1 2 330.432 0.923 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(CC)nn3C)C2)C1 ZINC000972612188 737097577 /nfs/dbraw/zinc/09/75/77/737097577.db2.gz QUVFIESFXGAWOU-GOSISDBHSA-N 1 2 330.432 0.923 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3cnccn3)C2)C1 ZINC000972628305 737153149 /nfs/dbraw/zinc/15/31/49/737153149.db2.gz QHZNAABLKLOPSX-GOSISDBHSA-N 1 2 328.416 0.736 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3cnccn3)C2)C1 ZINC000972628305 737153153 /nfs/dbraw/zinc/15/31/53/737153153.db2.gz QHZNAABLKLOPSX-GOSISDBHSA-N 1 2 328.416 0.736 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 ZINC000972633337 737172445 /nfs/dbraw/zinc/17/24/45/737172445.db2.gz CGZCTWMTFIPZHO-IBGZPJMESA-N 1 2 342.443 0.849 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 ZINC000972633337 737172447 /nfs/dbraw/zinc/17/24/47/737172447.db2.gz CGZCTWMTFIPZHO-IBGZPJMESA-N 1 2 342.443 0.849 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cn(C)nn3)C2)cn1 ZINC001023710322 737228618 /nfs/dbraw/zinc/22/86/18/737228618.db2.gz KISHZECXZPEQHI-AWEZNQCLSA-N 1 2 338.415 0.833 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cn(C)nn3)C2)cn1 ZINC001023710322 737228624 /nfs/dbraw/zinc/22/86/24/737228624.db2.gz KISHZECXZPEQHI-AWEZNQCLSA-N 1 2 338.415 0.833 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCN(C(C)=O)C3)C2)C1 ZINC000972655488 737265217 /nfs/dbraw/zinc/26/52/17/737265217.db2.gz LCOPCCKUYYKRIT-WMZOPIPTSA-N 1 2 333.432 0.181 20 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/nfs/dbraw/zinc/33/83/74/737338374.db2.gz BSMBRDNXFGNVJQ-LPHOPBHVSA-N 1 2 347.459 0.714 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CC)N3CCCC3=O)C2)C1 ZINC000972672900 737338379 /nfs/dbraw/zinc/33/83/79/737338379.db2.gz BSMBRDNXFGNVJQ-LPHOPBHVSA-N 1 2 347.459 0.714 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccnc3C(N)=O)C2)C1 ZINC000972684742 737374833 /nfs/dbraw/zinc/37/48/33/737374833.db2.gz WSVUTEDSIHJQII-KRWDZBQOSA-N 1 2 330.388 0.283 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccnc3C(N)=O)C2)C1 ZINC000972684742 737374837 /nfs/dbraw/zinc/37/48/37/737374837.db2.gz WSVUTEDSIHJQII-KRWDZBQOSA-N 1 2 330.388 0.283 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccsc2)C[C@H]1O ZINC001024356574 737919716 /nfs/dbraw/zinc/91/97/16/737919716.db2.gz BLEMQUGFRMOJCR-QLFBSQMISA-N 1 2 347.440 0.147 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccsc2)C[C@H]1O ZINC001024356574 737919719 /nfs/dbraw/zinc/91/97/19/737919719.db2.gz BLEMQUGFRMOJCR-QLFBSQMISA-N 1 2 347.440 0.147 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC2CCCC2)C[C@H]1O ZINC001024357353 737920373 /nfs/dbraw/zinc/92/03/73/737920373.db2.gz OOPXAWLCVSOHCA-IXDOHACOSA-N 1 2 347.459 0.352 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC2CCCC2)C[C@H]1O ZINC001024357353 737920374 /nfs/dbraw/zinc/92/03/74/737920374.db2.gz OOPXAWLCVSOHCA-IXDOHACOSA-N 1 2 347.459 0.352 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N(CCO)CCNc1ncccc1C#N ZINC001111492556 738117197 /nfs/dbraw/zinc/11/71/97/738117197.db2.gz FQFBRPFIWPCBSG-UHFFFAOYSA-N 1 2 328.376 0.460 20 30 ECEDLO Cn1nnc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)n1 ZINC001024607758 738161536 /nfs/dbraw/zinc/16/15/36/738161536.db2.gz ISXZADFPRISFLN-OAHLLOKOSA-N 1 2 339.403 0.866 20 30 ECEDLO Cn1nnc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)n1 ZINC001024607758 738161539 /nfs/dbraw/zinc/16/15/39/738161539.db2.gz ISXZADFPRISFLN-OAHLLOKOSA-N 1 2 339.403 0.866 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(CNC(N)=O)cc3)[C@H]2C1 ZINC001083270395 738183203 /nfs/dbraw/zinc/18/32/03/738183203.db2.gz DVAUGTBAKQVLJA-JKSUJKDBSA-N 1 2 342.399 0.013 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(CNC(N)=O)cc3)[C@H]2C1 ZINC001083270395 738183204 /nfs/dbraw/zinc/18/32/04/738183204.db2.gz DVAUGTBAKQVLJA-JKSUJKDBSA-N 1 2 342.399 0.013 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001028196264 751445877 /nfs/dbraw/zinc/44/58/77/751445877.db2.gz GROVKOQWZVPIJY-LOIXOFCESA-N 1 2 340.811 0.308 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001028196264 751445881 /nfs/dbraw/zinc/44/58/81/751445881.db2.gz GROVKOQWZVPIJY-LOIXOFCESA-N 1 2 340.811 0.308 20 30 ECEDLO C#CCOCCC(=O)N(C)[C@H](C)CNc1[nH+]cnc2c1cnn2C ZINC001104678783 739461461 /nfs/dbraw/zinc/46/14/61/739461461.db2.gz XQDKJJIBOXLDTM-GFCCVEGCSA-N 1 2 330.392 0.662 20 30 ECEDLO N#Cc1nccnc1N1CCC2(C[C@H]2NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001058639972 739657224 /nfs/dbraw/zinc/65/72/24/739657224.db2.gz WVEXYNGMNJQFAF-CYBMUJFWSA-N 1 2 337.387 0.789 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@H]2O)C1 ZINC001025545806 739707101 /nfs/dbraw/zinc/70/71/01/739707101.db2.gz OOAMBRQDJVZIDT-BPLDGKMQSA-N 1 2 346.431 0.633 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@H]2O)C1 ZINC001025545806 739707103 /nfs/dbraw/zinc/70/71/03/739707103.db2.gz OOAMBRQDJVZIDT-BPLDGKMQSA-N 1 2 346.431 0.633 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1 ZINC001078233915 782533784 /nfs/dbraw/zinc/53/37/84/782533784.db2.gz DEAWLFBMQSKTTC-UKRRQHHQSA-N 1 2 328.372 0.077 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1 ZINC001078233915 782533792 /nfs/dbraw/zinc/53/37/92/782533792.db2.gz DEAWLFBMQSKTTC-UKRRQHHQSA-N 1 2 328.372 0.077 20 30 ECEDLO C[C@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001104802398 740539610 /nfs/dbraw/zinc/53/96/10/740539610.db2.gz VADBNAZXHFSOKH-VXGBXAGGSA-N 1 2 339.403 0.872 20 30 ECEDLO C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H](C)S(C)(=O)=O)C[C@@H](C)O2 ZINC001098610675 740814819 /nfs/dbraw/zinc/81/48/19/740814819.db2.gz OCUKWJDQIYUSCK-ZIAGYGMSSA-N 1 2 342.461 0.135 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2O)C1 ZINC000974054896 740849340 /nfs/dbraw/zinc/84/93/40/740849340.db2.gz QZGYTZDRLWUCNO-MJBXVCDLSA-N 1 2 342.399 0.262 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2ncccc2O)C1 ZINC000974054896 740849343 /nfs/dbraw/zinc/84/93/43/740849343.db2.gz QZGYTZDRLWUCNO-MJBXVCDLSA-N 1 2 342.399 0.262 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cnc(C)cn3)C2)C1=O ZINC001006632779 751599158 /nfs/dbraw/zinc/59/91/58/751599158.db2.gz CPFIRVVNCKNDNK-ZBFHGGJFSA-N 1 2 343.431 0.766 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cnc(C)cn3)C2)C1=O ZINC001006632779 751599161 /nfs/dbraw/zinc/59/91/61/751599161.db2.gz CPFIRVVNCKNDNK-ZBFHGGJFSA-N 1 2 343.431 0.766 20 30 ECEDLO N#CCN[C@@H]1CC[C@@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@@H]12 ZINC001026367119 741071350 /nfs/dbraw/zinc/07/13/50/741071350.db2.gz CTOUBWAGSIJKCB-BRWVUGGUSA-N 1 2 346.475 0.982 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnn(C)c3C)C2)nn1 ZINC001098615561 741092702 /nfs/dbraw/zinc/09/27/02/741092702.db2.gz VQZLWJLUMCARDU-OAHLLOKOSA-N 1 2 341.419 0.520 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1c1ccc(C#N)nn1 ZINC001067542025 741104756 /nfs/dbraw/zinc/10/47/56/741104756.db2.gz HDHUODLMQTYEDX-OLZOCXBDSA-N 1 2 325.376 0.718 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000974349425 741373184 /nfs/dbraw/zinc/37/31/84/741373184.db2.gz HDJBICIAQXXBNS-COMQUAJESA-N 1 2 332.404 0.615 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3ccncn3)C2)nn1 ZINC001105252501 741561608 /nfs/dbraw/zinc/56/16/08/741561608.db2.gz UTJXBINRDRIUTE-UHFFFAOYSA-N 1 2 339.403 0.197 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c(Cl)n[nH]c3CC)C2)nn1 ZINC001105259774 741586099 /nfs/dbraw/zinc/58/60/99/741586099.db2.gz MKPBAIVIISJVRG-UHFFFAOYSA-N 1 2 347.810 0.637 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccsc3COC)C2)nn1 ZINC001105270932 741615832 /nfs/dbraw/zinc/61/58/32/741615832.db2.gz QOTMTOGHPOHZDU-UHFFFAOYSA-N 1 2 345.428 0.906 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[C@@H]3C)C2)nn1 ZINC001105303902 741699380 /nfs/dbraw/zinc/69/93/80/741699380.db2.gz VFVZOWSMANSCPI-HUBLWGQQSA-N 1 2 346.435 0.098 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H](C[NH2+]Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001026733100 741736241 /nfs/dbraw/zinc/73/62/41/741736241.db2.gz RKEOEPZZDFKLPH-VXGBXAGGSA-N 1 2 328.376 0.120 20 30 ECEDLO CON=Cc1ccc(C(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)cc1 ZINC000255397500 751677678 /nfs/dbraw/zinc/67/76/78/751677678.db2.gz GDDJNWAUXBKVBQ-UHFFFAOYSA-N 1 2 346.431 0.903 20 30 ECEDLO CON=Cc1ccc(C(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)cc1 ZINC000255397500 751677680 /nfs/dbraw/zinc/67/76/80/751677680.db2.gz GDDJNWAUXBKVBQ-UHFFFAOYSA-N 1 2 346.431 0.903 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[C@@H](C)C3)C2)nn1 ZINC001105336315 742361229 /nfs/dbraw/zinc/36/12/29/742361229.db2.gz CIQORORCJHSZBM-HUUCEWRRSA-N 1 2 345.447 0.837 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3cnnn3C)CC2(C)C)c1 ZINC000975009506 742445283 /nfs/dbraw/zinc/44/52/83/742445283.db2.gz FZMLAGZQFMBFLX-MRXNPFEDSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3cnnn3C)CC2(C)C)c1 ZINC000975009506 742445284 /nfs/dbraw/zinc/44/52/84/742445284.db2.gz FZMLAGZQFMBFLX-MRXNPFEDSA-N 1 2 338.415 0.832 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cnnn2C)CC1(C)C ZINC000975064184 742469515 /nfs/dbraw/zinc/46/95/15/742469515.db2.gz LXRKJYNSIHHGAF-QLFBSQMISA-N 1 2 333.436 0.733 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cnnn2C)CC1(C)C ZINC000975064184 742469519 /nfs/dbraw/zinc/46/95/19/742469519.db2.gz LXRKJYNSIHHGAF-QLFBSQMISA-N 1 2 333.436 0.733 20 30 ECEDLO C=C(C)C[N@@H+]1CCCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC000982251070 751763964 /nfs/dbraw/zinc/76/39/64/751763964.db2.gz CJHZTMLIODCGMR-UHFFFAOYSA-N 1 2 330.392 0.182 20 30 ECEDLO C=C(C)C[N@H+]1CCCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC000982251070 751763970 /nfs/dbraw/zinc/76/39/70/751763970.db2.gz CJHZTMLIODCGMR-UHFFFAOYSA-N 1 2 330.392 0.182 20 30 ECEDLO N#Cc1cnc(N2C[C@H]3CC[C@@H](C2)N3C(=O)CCc2[nH]cc[nH+]2)cn1 ZINC001058752176 742818308 /nfs/dbraw/zinc/81/83/08/742818308.db2.gz NFXPIVLWEOXCTF-OKILXGFUSA-N 1 2 337.387 0.884 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCC[C@H]3OC)C2)nn1 ZINC001105381359 743449722 /nfs/dbraw/zinc/44/97/22/743449722.db2.gz YAMRCYNBLCMJPK-HZPDHXFCSA-N 1 2 331.420 0.589 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@@H](Nc3ccnc(C#N)n3)C2)c[nH+]1 ZINC001059874366 751881332 /nfs/dbraw/zinc/88/13/32/751881332.db2.gz MKEHZXSGQRUWOD-BETUJISGSA-N 1 2 339.403 0.770 20 30 ECEDLO C#CC[NH2+][C@@H]1CN(C(=O)CCc2nc[nH]n2)CC[C@@H]1C(F)(F)F ZINC000998257711 744082200 /nfs/dbraw/zinc/08/22/00/744082200.db2.gz PWDNVVZRCMZHCT-WDEREUQCSA-N 1 2 329.326 0.740 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000976727682 744250479 /nfs/dbraw/zinc/25/04/79/744250479.db2.gz ZVMJUJRCNFCZBL-KMANFZQXSA-N 1 2 338.411 0.432 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]21 ZINC000976762283 744302986 /nfs/dbraw/zinc/30/29/86/744302986.db2.gz ZEWCUUVEDWYDMJ-KBNOKHGBSA-N 1 2 328.372 0.365 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC000977051057 744616600 /nfs/dbraw/zinc/61/66/00/744616600.db2.gz IBFCBBNANIMSIO-HALDLXJZSA-N 1 2 335.367 0.215 20 30 ECEDLO C=CCn1cccc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000977053823 744620807 /nfs/dbraw/zinc/62/08/07/744620807.db2.gz ZRZAKFCJOUACDQ-LAQFHYBYSA-N 1 2 339.399 0.827 20 30 ECEDLO C#Cc1cncc(C(=O)NC2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)c1 ZINC000999319908 744623825 /nfs/dbraw/zinc/62/38/25/744623825.db2.gz NZDLDYZIEFCLGO-GFCCVEGCSA-N 1 2 337.383 0.605 20 30 ECEDLO C#Cc1cncc(C(=O)NC2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)c1 ZINC000999319908 744623828 /nfs/dbraw/zinc/62/38/28/744623828.db2.gz NZDLDYZIEFCLGO-GFCCVEGCSA-N 1 2 337.383 0.605 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 ZINC000977219168 744784532 /nfs/dbraw/zinc/78/45/32/744784532.db2.gz YXHRBBMUHMGKSQ-LSPIHWNJSA-N 1 2 338.411 0.510 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ccon3)C2)nn1 ZINC001098626426 745115251 /nfs/dbraw/zinc/11/52/51/745115251.db2.gz QVIXBUHRULVVPA-AWEZNQCLSA-N 1 2 344.375 0.093 20 30 ECEDLO N#CCSCC(=O)N1CC[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001059198542 745116839 /nfs/dbraw/zinc/11/68/39/745116839.db2.gz VKTJIQBAPOJMEL-ZDUSSCGKSA-N 1 2 349.460 0.954 20 30 ECEDLO N#CCSCC(=O)N1CC[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001059198542 745116845 /nfs/dbraw/zinc/11/68/45/745116845.db2.gz VKTJIQBAPOJMEL-ZDUSSCGKSA-N 1 2 349.460 0.954 20 30 ECEDLO C#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001058784965 745145853 /nfs/dbraw/zinc/14/58/53/745145853.db2.gz JMIQXTKSIRWESV-AWEZNQCLSA-N 1 2 346.431 0.570 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C3CC4(C3)CCOCC4)C2)nn1 ZINC001105360672 751979955 /nfs/dbraw/zinc/97/99/55/751979955.db2.gz FTNRWOUJUPXGIZ-UHFFFAOYSA-N 1 2 343.431 0.591 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001098697603 745233767 /nfs/dbraw/zinc/23/37/67/745233767.db2.gz JLKHKGUCOBFKIV-JSGCOSHPSA-N 1 2 348.451 0.617 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3noc(C4CC4)n3)C2)nn1 ZINC001020700335 751990467 /nfs/dbraw/zinc/99/04/67/751990467.db2.gz OBAFHQXJFLABCO-HAQNSBGRSA-N 1 2 343.391 0.775 20 30 ECEDLO CCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)o1 ZINC001083413171 745484892 /nfs/dbraw/zinc/48/48/92/745484892.db2.gz CATJMBVRNSAREX-KGLIPLIRSA-N 1 2 343.387 0.720 20 30 ECEDLO CCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)o1 ZINC001083413171 745484897 /nfs/dbraw/zinc/48/48/97/745484897.db2.gz CATJMBVRNSAREX-KGLIPLIRSA-N 1 2 343.387 0.720 20 30 ECEDLO COCCN(CCNC(=O)Cc1c[nH]c[nH+]1)c1ccncc1C#N ZINC001126524727 745743331 /nfs/dbraw/zinc/74/33/31/745743331.db2.gz YDSMYNBFYOPNPT-UHFFFAOYSA-N 1 2 328.376 0.488 20 30 ECEDLO C[C@@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)n1cncn1 ZINC001083416358 745954017 /nfs/dbraw/zinc/95/40/17/745954017.db2.gz HSDGZWVLRSJXLR-UAGQMJEPSA-N 1 2 339.399 0.052 20 30 ECEDLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)n1cncn1 ZINC001083416358 745954020 /nfs/dbraw/zinc/95/40/20/745954020.db2.gz HSDGZWVLRSJXLR-UAGQMJEPSA-N 1 2 339.399 0.052 20 30 ECEDLO Cc1cc(C#N)nc(N(C)CCN(C)C(=O)CCc2[nH]cc[nH+]2)n1 ZINC001105394762 745988667 /nfs/dbraw/zinc/98/86/67/745988667.db2.gz MECRLXJQOPYEEO-UHFFFAOYSA-N 1 2 327.392 0.907 20 30 ECEDLO CN(C(=O)C[N@@H+]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1)C1CC1 ZINC001007033694 752055649 /nfs/dbraw/zinc/05/56/49/752055649.db2.gz HKLHOIZGJGBANS-ZDUSSCGKSA-N 1 2 329.404 0.701 20 30 ECEDLO CN(C(=O)C[N@H+]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1)C1CC1 ZINC001007033694 752055657 /nfs/dbraw/zinc/05/56/57/752055657.db2.gz HKLHOIZGJGBANS-ZDUSSCGKSA-N 1 2 329.404 0.701 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cn[nH]n3)[C@H]2CC)C1=O ZINC001087638201 746137934 /nfs/dbraw/zinc/13/79/34/746137934.db2.gz GSYVCXANRJFINN-YUTCNCBUSA-N 1 2 332.408 0.174 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cn[nH]n3)[C@H]2CC)C1=O ZINC001087638201 746137936 /nfs/dbraw/zinc/13/79/36/746137936.db2.gz GSYVCXANRJFINN-YUTCNCBUSA-N 1 2 332.408 0.174 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnn[nH]3)[C@H]2CC)C1=O ZINC001087638201 746137938 /nfs/dbraw/zinc/13/79/38/746137938.db2.gz GSYVCXANRJFINN-YUTCNCBUSA-N 1 2 332.408 0.174 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnn[nH]3)[C@H]2CC)C1=O ZINC001087638201 746137942 /nfs/dbraw/zinc/13/79/42/746137942.db2.gz GSYVCXANRJFINN-YUTCNCBUSA-N 1 2 332.408 0.174 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)C(N)=O)[C@H]2CC)c1 ZINC001087709964 746222947 /nfs/dbraw/zinc/22/29/47/746222947.db2.gz ZTZNUMGTNQHJSW-LSDHHAIUSA-N 1 2 342.399 0.061 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)C(N)=O)[C@H]2CC)c1 ZINC001087709964 746222953 /nfs/dbraw/zinc/22/29/53/746222953.db2.gz ZTZNUMGTNQHJSW-LSDHHAIUSA-N 1 2 342.399 0.061 20 30 ECEDLO C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001027618088 746269685 /nfs/dbraw/zinc/26/96/85/746269685.db2.gz FDYKLMCQHUOLJF-ZDUSSCGKSA-N 1 2 344.419 0.570 20 30 ECEDLO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001027618088 746269690 /nfs/dbraw/zinc/26/96/90/746269690.db2.gz FDYKLMCQHUOLJF-ZDUSSCGKSA-N 1 2 344.419 0.570 20 30 ECEDLO Cc1nnc(C[NH+]2CCC(CNC(=O)c3ccc(C#N)[nH]3)CC2)[nH]1 ZINC001001320747 746277008 /nfs/dbraw/zinc/27/70/08/746277008.db2.gz NNRMMZMRAMFLBX-UHFFFAOYSA-N 1 2 327.392 0.955 20 30 ECEDLO CC(C)(C(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1)c1c[nH+]c[nH]1 ZINC001001341202 746291382 /nfs/dbraw/zinc/29/13/82/746291382.db2.gz IXKKUXAVLZARTP-UHFFFAOYSA-N 1 2 340.387 0.775 20 30 ECEDLO N#Cc1cc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c[nH]1 ZINC001001502625 746438982 /nfs/dbraw/zinc/43/89/82/746438982.db2.gz NOLJOXJHPZXAJR-ZIAGYGMSSA-N 1 2 338.371 0.601 20 30 ECEDLO N#Cc1cc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c[nH]1 ZINC001001502625 746438983 /nfs/dbraw/zinc/43/89/83/746438983.db2.gz NOLJOXJHPZXAJR-ZIAGYGMSSA-N 1 2 338.371 0.601 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ncnn4C)C[C@H]32)cc1 ZINC000978588158 746476431 /nfs/dbraw/zinc/47/64/31/746476431.db2.gz ZKCVXCBXCXWBLX-OSYLJGHBSA-N 1 2 335.411 0.904 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ncnn4C)C[C@H]32)cc1 ZINC000978588158 746476432 /nfs/dbraw/zinc/47/64/32/746476432.db2.gz ZKCVXCBXCXWBLX-OSYLJGHBSA-N 1 2 335.411 0.904 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)CN2CCOCC2)C1 ZINC001007115923 752101614 /nfs/dbraw/zinc/10/16/14/752101614.db2.gz GVWIKVVJOCMALN-GOSISDBHSA-N 1 2 342.443 0.971 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)CN2CCOCC2)C1 ZINC001007115923 752101617 /nfs/dbraw/zinc/10/16/17/752101617.db2.gz GVWIKVVJOCMALN-GOSISDBHSA-N 1 2 342.443 0.971 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3[C@@H](CNC(=O)c4[nH]ncc4F)[C@@H]3C2)C1=O ZINC000978671177 746565718 /nfs/dbraw/zinc/56/57/18/746565718.db2.gz AKUUFXLDMMKAQI-NRWUCQMLSA-N 1 2 347.394 0.243 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4[nH]ncc4F)[C@@H]3C2)C1=O ZINC000978671177 746565722 /nfs/dbraw/zinc/56/57/22/746565722.db2.gz AKUUFXLDMMKAQI-NRWUCQMLSA-N 1 2 347.394 0.243 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3conc3C)C2)nn1 ZINC001098710292 746661048 /nfs/dbraw/zinc/66/10/48/746661048.db2.gz BVGWXNIDDZJVTE-AWEZNQCLSA-N 1 2 328.376 0.775 20 30 ECEDLO C=CCCCC(=O)N1CC[C@H](n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001098710703 746710094 /nfs/dbraw/zinc/71/00/94/746710094.db2.gz JWIDCTYPWFOMEO-AWEZNQCLSA-N 1 2 334.424 0.243 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@@H]2C[N@@H+](Cc3nnnn3C3CC3)CC[C@@H]2C1 ZINC001087962353 746750173 /nfs/dbraw/zinc/75/01/73/746750173.db2.gz LIQSYUALFKRWPX-CABCVRRESA-N 1 2 340.431 0.702 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@@H]2C[N@H+](Cc3nnnn3C3CC3)CC[C@@H]2C1 ZINC001087962353 746750180 /nfs/dbraw/zinc/75/01/80/746750180.db2.gz LIQSYUALFKRWPX-CABCVRRESA-N 1 2 340.431 0.702 20 30 ECEDLO C=CCCCC(=O)N1CC[C@H](n2cc(C[NH2+]CC(=O)NCC)nn2)C1 ZINC001098711827 746782598 /nfs/dbraw/zinc/78/25/98/746782598.db2.gz XMCFUNUEJIZBGJ-HNNXBMFYSA-N 1 2 348.451 0.634 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4ncn[nH]4)[C@@H]3C2)c(F)c1 ZINC000978881198 746823741 /nfs/dbraw/zinc/82/37/41/746823741.db2.gz VSQPIWBISHWZDS-ZSOGYDGISA-N 1 2 340.362 0.923 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ncn[nH]4)[C@@H]3C2)c(F)c1 ZINC000978881198 746823744 /nfs/dbraw/zinc/82/37/44/746823744.db2.gz VSQPIWBISHWZDS-ZSOGYDGISA-N 1 2 340.362 0.923 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4nc[nH]n4)[C@@H]3C2)c(F)c1 ZINC000978881198 746823747 /nfs/dbraw/zinc/82/37/47/746823747.db2.gz VSQPIWBISHWZDS-ZSOGYDGISA-N 1 2 340.362 0.923 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4nc[nH]n4)[C@@H]3C2)c(F)c1 ZINC000978881198 746823754 /nfs/dbraw/zinc/82/37/54/746823754.db2.gz VSQPIWBISHWZDS-ZSOGYDGISA-N 1 2 340.362 0.923 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3ccoc3CC)[C@@H](O)C2)C1=O ZINC001083437187 752127943 /nfs/dbraw/zinc/12/79/43/752127943.db2.gz FOTAYWJGENWFQW-ILXRZTDVSA-N 1 2 347.415 0.404 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3ccoc3CC)[C@@H](O)C2)C1=O ZINC001083437187 752127949 /nfs/dbraw/zinc/12/79/49/752127949.db2.gz FOTAYWJGENWFQW-ILXRZTDVSA-N 1 2 347.415 0.404 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CC[C@@H](CCNC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC001059427359 746887862 /nfs/dbraw/zinc/88/78/62/746887862.db2.gz KPEQIFIOWDZFCE-GFCCVEGCSA-N 1 2 340.387 0.821 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000984751088 746902862 /nfs/dbraw/zinc/90/28/62/746902862.db2.gz KUTQDTQFGKMXAW-DZGCQCFKSA-N 1 2 340.387 0.961 20 30 ECEDLO C#CCOc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](C)C(N)=O)cc1 ZINC001029506319 747196971 /nfs/dbraw/zinc/19/69/71/747196971.db2.gz JNUXEWFYAHEJLH-CWRNSKLLSA-N 1 2 341.411 0.861 20 30 ECEDLO C#CCOc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)C(N)=O)cc1 ZINC001029506319 747196976 /nfs/dbraw/zinc/19/69/76/747196976.db2.gz JNUXEWFYAHEJLH-CWRNSKLLSA-N 1 2 341.411 0.861 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nncn3C)CC[C@@H]2C1 ZINC001088112825 747412385 /nfs/dbraw/zinc/41/23/85/747412385.db2.gz ZIWRYKLDCXHVBP-QXSJWSMHSA-N 1 2 345.447 0.687 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nncn3C)CC[C@@H]2C1 ZINC001088112825 747412386 /nfs/dbraw/zinc/41/23/86/747412386.db2.gz ZIWRYKLDCXHVBP-QXSJWSMHSA-N 1 2 345.447 0.687 20 30 ECEDLO C[C@H]([NH2+]Cc1cnsn1)[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979294309 747555835 /nfs/dbraw/zinc/55/58/35/747555835.db2.gz OMWKAKPPZAKIRY-HZMBPMFUSA-N 1 2 346.416 0.757 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CCCO3)[C@@H](O)C2)cc1C#N ZINC001083326970 752207785 /nfs/dbraw/zinc/20/77/85/752207785.db2.gz XEWSPEKMYBDIPL-VYDXJSESSA-N 1 2 345.399 0.407 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCCO3)[C@@H](O)C2)cc1C#N ZINC001083326970 752207792 /nfs/dbraw/zinc/20/77/92/752207792.db2.gz XEWSPEKMYBDIPL-VYDXJSESSA-N 1 2 345.399 0.407 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001002865593 747893181 /nfs/dbraw/zinc/89/31/81/747893181.db2.gz SPMLXYGBUMQSTO-KQTLUZQSSA-N 1 2 344.415 0.679 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001002865593 747893187 /nfs/dbraw/zinc/89/31/87/747893187.db2.gz SPMLXYGBUMQSTO-KQTLUZQSSA-N 1 2 344.415 0.679 20 30 ECEDLO N#Cc1ccc(N2C[C@H]3CC[C@@H](C2)N3C(=O)CCc2c[nH]c[nH+]2)nn1 ZINC001058811433 748024063 /nfs/dbraw/zinc/02/40/63/748024063.db2.gz QVLXJTZDYDKGEV-GASCZTMLSA-N 1 2 337.387 0.884 20 30 ECEDLO N#Cc1ccc(N2C[C@H]3CC[C@@H](C2)N3C(=O)CCc2c[nH+]c[nH]2)nn1 ZINC001058811433 748024070 /nfs/dbraw/zinc/02/40/70/748024070.db2.gz QVLXJTZDYDKGEV-GASCZTMLSA-N 1 2 337.387 0.884 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(CC)CC)[C@H](OC)C1 ZINC001211899265 748039662 /nfs/dbraw/zinc/03/96/62/748039662.db2.gz XRMOLQRGRPWHKX-NWANDNLSSA-N 1 2 325.453 0.929 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C(CC)CC)[C@H](OC)C1 ZINC001211899265 748039667 /nfs/dbraw/zinc/03/96/67/748039667.db2.gz XRMOLQRGRPWHKX-NWANDNLSSA-N 1 2 325.453 0.929 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)c1 ZINC001007264711 752236850 /nfs/dbraw/zinc/23/68/50/752236850.db2.gz VTMYIHXEYQTURK-ZFWWWQNUSA-N 1 2 346.362 0.886 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3COC(=O)N3)C2)c1 ZINC001007264711 752236855 /nfs/dbraw/zinc/23/68/55/752236855.db2.gz VTMYIHXEYQTURK-ZFWWWQNUSA-N 1 2 346.362 0.886 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000979665626 748186437 /nfs/dbraw/zinc/18/64/37/748186437.db2.gz QPKHPNHBCSGMAX-AULYBMBSSA-N 1 2 340.387 0.487 20 30 ECEDLO C=CCn1cccc1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2nnnn2C)C1 ZINC001029755625 748263650 /nfs/dbraw/zinc/26/36/50/748263650.db2.gz QTRYZQMVNOVNES-AWEZNQCLSA-N 1 2 343.435 0.792 20 30 ECEDLO C=CCn1cccc1C(=O)N1CC[C@@H](C[N@H+](C)Cc2nnnn2C)C1 ZINC001029755625 748263652 /nfs/dbraw/zinc/26/36/52/748263652.db2.gz QTRYZQMVNOVNES-AWEZNQCLSA-N 1 2 343.435 0.792 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2cnon2)C1 ZINC001029758224 748271207 /nfs/dbraw/zinc/27/12/07/748271207.db2.gz VRLIJODBKDXOCF-HOCLYGCPSA-N 1 2 331.420 0.448 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001059554177 748302430 /nfs/dbraw/zinc/30/24/30/748302430.db2.gz CPDCWLYRGKXFMP-RHSMWYFYSA-N 1 2 334.420 0.565 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 ZINC000979823916 748472000 /nfs/dbraw/zinc/47/20/00/748472000.db2.gz NNSATPOTFZMADS-USXIJHARSA-N 1 2 340.427 0.729 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2CN(C(=O)CCc3c[nH]c[nH+]3)C2)cn1 ZINC001003471514 748588962 /nfs/dbraw/zinc/58/89/62/748588962.db2.gz KMPMYSBVQHPELT-UHFFFAOYSA-N 1 2 337.383 0.607 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2CN(C(=O)CCc3c[nH+]c[nH]3)C2)cn1 ZINC001003471514 748588967 /nfs/dbraw/zinc/58/89/67/748588967.db2.gz KMPMYSBVQHPELT-UHFFFAOYSA-N 1 2 337.383 0.607 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001028295927 752296041 /nfs/dbraw/zinc/29/60/41/752296041.db2.gz WGNQEPWTPHQTNE-UONOGXRCSA-N 1 2 329.828 0.567 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001028295927 752296046 /nfs/dbraw/zinc/29/60/46/752296046.db2.gz WGNQEPWTPHQTNE-UONOGXRCSA-N 1 2 329.828 0.567 20 30 ECEDLO C[C@H](NC(=O)Cn1cc[nH+]c1)C1CCN(c2cncc(C#N)n2)CC1 ZINC001126744754 752301214 /nfs/dbraw/zinc/30/12/14/752301214.db2.gz SJNLBUIGPLPGAV-ZDUSSCGKSA-N 1 2 339.403 0.966 20 30 ECEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2cnn(C)n2)CC1 ZINC001003795333 748905478 /nfs/dbraw/zinc/90/54/78/748905478.db2.gz WLSFFTHNWOSAEO-UHFFFAOYSA-N 1 2 328.214 0.918 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001088385254 748998652 /nfs/dbraw/zinc/99/86/52/748998652.db2.gz DCGGPKSWBMZXPX-ZNMIVQPWSA-N 1 2 348.451 0.662 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001013922825 761915054 /nfs/dbraw/zinc/91/50/54/761915054.db2.gz AFSCRAPWANRDFA-CMPLNLGQSA-N 1 2 326.360 0.571 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H](F)CC)CC2)CC1 ZINC000985828197 749192485 /nfs/dbraw/zinc/19/24/85/749192485.db2.gz BCUQSHOYSMBCKQ-CQSZACIVSA-N 1 2 326.416 0.802 20 30 ECEDLO C=CCOCC(=O)NCCN(CCOC)c1[nH+]cnc2c1cnn2C ZINC001126266879 749208396 /nfs/dbraw/zinc/20/83/96/749208396.db2.gz IIRWAASNCQVKFE-UHFFFAOYSA-N 1 2 348.407 0.135 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC001013933883 761937754 /nfs/dbraw/zinc/93/77/54/761937754.db2.gz NSPPRRCBQLSZEE-SWLSCSKDSA-N 1 2 337.383 0.748 20 30 ECEDLO COCc1noc(C[NH2+][C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@H]2C)n1 ZINC000986174508 749631122 /nfs/dbraw/zinc/63/11/22/749631122.db2.gz JPKLWEBRMVSRRA-GWCFXTLKSA-N 1 2 344.375 0.809 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3coc(C)c3)[C@@H](O)C2)C1=O ZINC001083427072 749633418 /nfs/dbraw/zinc/63/34/18/749633418.db2.gz MPJSZWDEGAGIAP-KFWWJZLASA-N 1 2 333.388 0.150 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3coc(C)c3)[C@@H](O)C2)C1=O ZINC001083427072 749633421 /nfs/dbraw/zinc/63/34/21/749633421.db2.gz MPJSZWDEGAGIAP-KFWWJZLASA-N 1 2 333.388 0.150 20 30 ECEDLO CC(=O)N1CCOC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004622613 749700285 /nfs/dbraw/zinc/70/02/85/749700285.db2.gz XPLVFXFXOMBUDB-DLBZAZTESA-N 1 2 348.447 0.460 20 30 ECEDLO CC(=O)N1CCOC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004622613 749700291 /nfs/dbraw/zinc/70/02/91/749700291.db2.gz XPLVFXFXOMBUDB-DLBZAZTESA-N 1 2 348.447 0.460 20 30 ECEDLO Cn1cc(CCC(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)nn1 ZINC001004637785 749717132 /nfs/dbraw/zinc/71/71/32/749717132.db2.gz WSDDBEZGBRGISH-MRXNPFEDSA-N 1 2 330.436 0.974 20 30 ECEDLO Cn1cc(CCC(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)nn1 ZINC001004637785 749717136 /nfs/dbraw/zinc/71/71/36/749717136.db2.gz WSDDBEZGBRGISH-MRXNPFEDSA-N 1 2 330.436 0.974 20 30 ECEDLO CCCn1nnnc1C[N@H+](C)CC1CCN(C(=O)[C@H](C)C#N)CC1 ZINC001029947862 750030859 /nfs/dbraw/zinc/03/08/59/750030859.db2.gz KPVGAQQNSXQVGZ-CYBMUJFWSA-N 1 2 333.440 0.913 20 30 ECEDLO CCCn1nnnc1C[N@@H+](C)CC1CCN(C(=O)[C@H](C)C#N)CC1 ZINC001029947862 750030867 /nfs/dbraw/zinc/03/08/67/750030867.db2.gz KPVGAQQNSXQVGZ-CYBMUJFWSA-N 1 2 333.440 0.913 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3ncoc3C)CC2)C1=O ZINC000980800555 750181871 /nfs/dbraw/zinc/18/18/71/750181871.db2.gz MPZAFRLFFOFYIT-CQSZACIVSA-N 1 2 332.404 0.918 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3ncoc3C)CC2)C1=O ZINC000980800555 750181875 /nfs/dbraw/zinc/18/18/75/750181875.db2.gz MPZAFRLFFOFYIT-CQSZACIVSA-N 1 2 332.404 0.918 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3ccnn3C)CC2)C1=O ZINC000980806692 750203604 /nfs/dbraw/zinc/20/36/04/750203604.db2.gz ZLFLAJHTOKZXOL-HNNXBMFYSA-N 1 2 331.420 0.355 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3ccnn3C)CC2)C1=O ZINC000980806692 750203609 /nfs/dbraw/zinc/20/36/09/750203609.db2.gz ZLFLAJHTOKZXOL-HNNXBMFYSA-N 1 2 331.420 0.355 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)Cc3ccn[nH]3)CC2)C1=O ZINC000980885383 750305842 /nfs/dbraw/zinc/30/58/42/750305842.db2.gz UGIKHLUUZLJSSD-HNNXBMFYSA-N 1 2 331.420 0.273 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)Cc3ccn[nH]3)CC2)C1=O ZINC000980885383 750305849 /nfs/dbraw/zinc/30/58/49/750305849.db2.gz UGIKHLUUZLJSSD-HNNXBMFYSA-N 1 2 331.420 0.273 20 30 ECEDLO C=CCn1cc(C(=O)NCCC[NH2+]Cc2nnn(C(C)(C)C)n2)nn1 ZINC001167839237 750536446 /nfs/dbraw/zinc/53/64/46/750536446.db2.gz XFMGBLONEDJASQ-UHFFFAOYSA-N 1 2 347.427 0.115 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3ccnnc3C)CC2)C1=O ZINC000981555325 750800710 /nfs/dbraw/zinc/80/07/10/750800710.db2.gz NIBCSPKIDFDWCB-MRXNPFEDSA-N 1 2 343.431 0.720 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3ccnnc3C)CC2)C1=O ZINC000981555325 750800717 /nfs/dbraw/zinc/80/07/17/750800717.db2.gz NIBCSPKIDFDWCB-MRXNPFEDSA-N 1 2 343.431 0.720 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC([C@@H](C)NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001005928134 750811355 /nfs/dbraw/zinc/81/13/55/750811355.db2.gz QFDQSSJEDKXGNJ-SNVBAGLBSA-N 1 2 340.387 0.737 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3coc(OC)n3)CC2)C1=O ZINC000981697612 750973329 /nfs/dbraw/zinc/97/33/29/750973329.db2.gz PRULYBHRSKNNMO-CQSZACIVSA-N 1 2 348.403 0.618 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3coc(OC)n3)CC2)C1=O ZINC000981697612 750973332 /nfs/dbraw/zinc/97/33/32/750973332.db2.gz PRULYBHRSKNNMO-CQSZACIVSA-N 1 2 348.403 0.618 20 30 ECEDLO CC#CC[NH+]1CCC(N(C)C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001006150647 751073842 /nfs/dbraw/zinc/07/38/42/751073842.db2.gz ILUWJMGEKKGPST-UHFFFAOYSA-N 1 2 342.403 0.017 20 30 ECEDLO C#CCCCCC(=O)NC[C@@H](O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001105830888 762093597 /nfs/dbraw/zinc/09/35/97/762093597.db2.gz QHFCFGWBEKKABG-CYBMUJFWSA-N 1 2 334.424 0.329 20 30 ECEDLO C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CN(C(=O)C#CC2CC2)C1 ZINC001006323208 751244940 /nfs/dbraw/zinc/24/49/40/751244940.db2.gz ZYFSGIQXQXUGOF-UKRRQHHQSA-N 1 2 340.427 0.822 20 30 ECEDLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC2(C1)CCCN(CC#N)C2 ZINC000981914640 751273656 /nfs/dbraw/zinc/27/36/56/751273656.db2.gz QPJFNFOFEIILFV-MRXNPFEDSA-N 1 2 334.464 0.935 20 30 ECEDLO CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC2(C1)CCCN(CC#N)C2 ZINC000981914640 751273662 /nfs/dbraw/zinc/27/36/62/751273662.db2.gz QPJFNFOFEIILFV-MRXNPFEDSA-N 1 2 334.464 0.935 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H](C)[C@H]3CCCO3)C2)nn1 ZINC001105368049 752467120 /nfs/dbraw/zinc/46/71/20/752467120.db2.gz NWCFQVSWFPFXSC-RHSMWYFYSA-N 1 2 345.447 0.980 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C)c1 ZINC001014044353 762133503 /nfs/dbraw/zinc/13/35/03/762133503.db2.gz MJPNSYDXYYGBKE-CJNGLKHVSA-N 1 2 337.383 0.679 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC)[C@H](OC)C1 ZINC001211768693 752686566 /nfs/dbraw/zinc/68/65/66/752686566.db2.gz NGYSKVXNDMSYBK-JHJVBQTASA-N 1 2 340.424 0.002 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC)[C@H](OC)C1 ZINC001211768693 752686570 /nfs/dbraw/zinc/68/65/70/752686570.db2.gz NGYSKVXNDMSYBK-JHJVBQTASA-N 1 2 340.424 0.002 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2CCCCC2)[C@H](OC)C1 ZINC001211776864 752698329 /nfs/dbraw/zinc/69/83/29/752698329.db2.gz TZWROMJIDHTVIG-FVQBIDKESA-N 1 2 335.448 0.520 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2CCCCC2)[C@H](OC)C1 ZINC001211776864 752698331 /nfs/dbraw/zinc/69/83/31/752698331.db2.gz TZWROMJIDHTVIG-FVQBIDKESA-N 1 2 335.448 0.520 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccccc2)[C@H](OC)C1 ZINC001211779862 752708100 /nfs/dbraw/zinc/70/81/00/752708100.db2.gz NMCFCHBNUPYVJA-FVQBIDKESA-N 1 2 329.400 0.254 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccccc2)[C@H](OC)C1 ZINC001211779862 752708105 /nfs/dbraw/zinc/70/81/05/752708105.db2.gz NMCFCHBNUPYVJA-FVQBIDKESA-N 1 2 329.400 0.254 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCC(F)(F)F)[C@H](OC)C1 ZINC001212078940 752708992 /nfs/dbraw/zinc/70/89/92/752708992.db2.gz USDJNSUTIZWOAS-GHMZBOCLSA-N 1 2 337.342 0.447 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCC(F)(F)F)[C@H](OC)C1 ZINC001212078940 752708993 /nfs/dbraw/zinc/70/89/93/752708993.db2.gz USDJNSUTIZWOAS-GHMZBOCLSA-N 1 2 337.342 0.447 20 30 ECEDLO CCn1ncnc1C[N@@H+]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028470883 752772341 /nfs/dbraw/zinc/77/23/41/752772341.db2.gz OMKPEKHJBYUTBF-GFCCVEGCSA-N 1 2 327.392 0.750 20 30 ECEDLO CCn1ncnc1C[N@H+]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028470883 752772344 /nfs/dbraw/zinc/77/23/44/752772344.db2.gz OMKPEKHJBYUTBF-GFCCVEGCSA-N 1 2 327.392 0.750 20 30 ECEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C1 ZINC001007827482 752965609 /nfs/dbraw/zinc/96/56/09/752965609.db2.gz VTBNIJJBBFTVEW-HNNXBMFYSA-N 1 2 332.448 0.979 20 30 ECEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C1 ZINC001007827482 752965614 /nfs/dbraw/zinc/96/56/14/752965614.db2.gz VTBNIJJBBFTVEW-HNNXBMFYSA-N 1 2 332.448 0.979 20 30 ECEDLO CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001008078340 753282835 /nfs/dbraw/zinc/28/28/35/753282835.db2.gz WLPYDZRZIOEMIP-ZDUSSCGKSA-N 1 2 340.387 0.819 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3[nH]nnc3C)C2)C1=O ZINC001008144197 753373782 /nfs/dbraw/zinc/37/37/82/753373782.db2.gz WBABLBAPYREUAS-OLZOCXBDSA-N 1 2 332.408 0.094 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3[nH]nnc3C)C2)C1=O ZINC001008144197 753373787 /nfs/dbraw/zinc/37/37/87/753373787.db2.gz WBABLBAPYREUAS-OLZOCXBDSA-N 1 2 332.408 0.094 20 30 ECEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCNC1=O ZINC001008182175 753433417 /nfs/dbraw/zinc/43/34/17/753433417.db2.gz JKTAJCAKCFFUID-IAGOWNOFSA-N 1 2 343.402 0.894 20 30 ECEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCNC1=O ZINC001008182175 753433423 /nfs/dbraw/zinc/43/34/23/753433423.db2.gz JKTAJCAKCFFUID-IAGOWNOFSA-N 1 2 343.402 0.894 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CSC)[C@H](OC)C1 ZINC001211827834 753477152 /nfs/dbraw/zinc/47/71/52/753477152.db2.gz MRPQYQKXTMOJAP-ZIAGYGMSSA-N 1 2 341.477 0.365 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)CSC)[C@H](OC)C1 ZINC001211827834 753477156 /nfs/dbraw/zinc/47/71/56/753477156.db2.gz MRPQYQKXTMOJAP-ZIAGYGMSSA-N 1 2 341.477 0.365 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3cc(C)oc3C)[C@@H](O)C2)C1=O ZINC001083335185 753593512 /nfs/dbraw/zinc/59/35/12/753593512.db2.gz COIOHDICGIGYGE-PMPSAXMXSA-N 1 2 347.415 0.458 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3cc(C)oc3C)[C@@H](O)C2)C1=O ZINC001083335185 753593516 /nfs/dbraw/zinc/59/35/16/753593516.db2.gz COIOHDICGIGYGE-PMPSAXMXSA-N 1 2 347.415 0.458 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccnn3CCC)C2)nn1 ZINC001098681290 753620890 /nfs/dbraw/zinc/62/08/90/753620890.db2.gz QODSBQNABPZDFL-OAHLLOKOSA-N 1 2 341.419 0.695 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3oc(C)nc3C)C2)nn1 ZINC001098649098 753638899 /nfs/dbraw/zinc/63/88/99/753638899.db2.gz LBBBHQDUHBGFPO-AWEZNQCLSA-N 1 2 328.376 0.693 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](NC(=O)c3ccon3)[C@@H](O)C2)cc1C#N ZINC001083355772 753660367 /nfs/dbraw/zinc/66/03/67/753660367.db2.gz MMOHKBNDDAFVNT-CABCVRRESA-N 1 2 342.355 0.530 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3ccon3)[C@@H](O)C2)cc1C#N ZINC001083355772 753660374 /nfs/dbraw/zinc/66/03/74/753660374.db2.gz MMOHKBNDDAFVNT-CABCVRRESA-N 1 2 342.355 0.530 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c(F)c1 ZINC001008369829 753665905 /nfs/dbraw/zinc/66/59/05/753665905.db2.gz DOOBIENEWGLPOO-HIFRSBDPSA-N 1 2 345.378 0.459 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c(F)c1 ZINC001008369829 753665910 /nfs/dbraw/zinc/66/59/10/753665910.db2.gz DOOBIENEWGLPOO-HIFRSBDPSA-N 1 2 345.378 0.459 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CCOC3)[C@@H](O)C2)cc1C#N ZINC001083361211 753677273 /nfs/dbraw/zinc/67/72/73/753677273.db2.gz JNSVEYKGXUFFBK-BMFZPTHFSA-N 1 2 345.399 0.265 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCOC3)[C@@H](O)C2)cc1C#N ZINC001083361211 753677275 /nfs/dbraw/zinc/67/72/75/753677275.db2.gz JNSVEYKGXUFFBK-BMFZPTHFSA-N 1 2 345.399 0.265 20 30 ECEDLO Cc1ocnc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083360932 753681275 /nfs/dbraw/zinc/68/12/75/753681275.db2.gz AIQHJABKKRUKIJ-CABCVRRESA-N 1 2 326.356 0.830 20 30 ECEDLO Cc1ocnc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083360932 753681279 /nfs/dbraw/zinc/68/12/79/753681279.db2.gz AIQHJABKKRUKIJ-CABCVRRESA-N 1 2 326.356 0.830 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)C1=COCCC1 ZINC001083367293 753696657 /nfs/dbraw/zinc/69/66/57/753696657.db2.gz ZLQHVWMDOCIRSO-MSOLQXFVSA-N 1 2 326.396 0.894 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)C1=COCCC1 ZINC001083367293 753696661 /nfs/dbraw/zinc/69/66/61/753696661.db2.gz ZLQHVWMDOCIRSO-MSOLQXFVSA-N 1 2 326.396 0.894 20 30 ECEDLO CN(CCN(C)c1nccnc1C#N)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001105489951 753732502 /nfs/dbraw/zinc/73/25/02/753732502.db2.gz TXFGVVUZMKJJJY-ZDUSSCGKSA-N 1 2 339.403 0.702 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H](CCNC(=O)C#CC2CC2)C1 ZINC001059972028 753733888 /nfs/dbraw/zinc/73/38/88/753733888.db2.gz IHBLHOFEFKQHBQ-OAHLLOKOSA-N 1 2 328.416 0.731 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)Cc3ccon3)[C@@H](O)C2)s1 ZINC001083378239 753735518 /nfs/dbraw/zinc/73/55/18/753735518.db2.gz HLLFPQKJPDZUMX-KGLIPLIRSA-N 1 2 332.385 0.512 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)Cc3ccon3)[C@@H](O)C2)s1 ZINC001083378239 753735525 /nfs/dbraw/zinc/73/55/25/753735525.db2.gz HLLFPQKJPDZUMX-KGLIPLIRSA-N 1 2 332.385 0.512 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[C@H]3CCOC3)[C@@H](O)C2)cc1F ZINC001083380393 753737279 /nfs/dbraw/zinc/73/72/79/753737279.db2.gz VHJONSRVMCKBPA-XYPHTWIQSA-N 1 2 347.390 0.785 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C[C@H]3CCOC3)[C@@H](O)C2)cc1F ZINC001083380393 753737282 /nfs/dbraw/zinc/73/72/82/753737282.db2.gz VHJONSRVMCKBPA-XYPHTWIQSA-N 1 2 347.390 0.785 20 30 ECEDLO CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001105493624 753738284 /nfs/dbraw/zinc/73/82/84/753738284.db2.gz MYBRQQVPWBDTMY-CYBMUJFWSA-N 1 2 339.403 0.702 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CCCOC3)C2)nn1 ZINC001105374332 753752434 /nfs/dbraw/zinc/75/24/34/753752434.db2.gz VISBGWCOKSKOPG-CQSZACIVSA-N 1 2 331.420 0.591 20 30 ECEDLO CN(CCN(C)c1nccnc1C#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001105564668 753826815 /nfs/dbraw/zinc/82/68/15/753826815.db2.gz OKFMLLUHLKCCNY-CHWSQXEVSA-N 1 2 339.403 0.780 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001008591862 753933228 /nfs/dbraw/zinc/93/32/28/753933228.db2.gz QUIGSVWFWPYFQS-OLZOCXBDSA-N 1 2 338.843 0.959 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001008591862 753933235 /nfs/dbraw/zinc/93/32/35/753933235.db2.gz QUIGSVWFWPYFQS-OLZOCXBDSA-N 1 2 338.843 0.959 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+]([C@@H]3CCC(=O)NC3=O)CC2)cn1 ZINC000989511049 754060736 /nfs/dbraw/zinc/06/07/36/754060736.db2.gz JXSXUSMNURXJKM-OAHLLOKOSA-N 1 2 340.383 0.016 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@H+]([C@@H]3CCC(=O)NC3=O)CC2)cn1 ZINC000989511049 754060740 /nfs/dbraw/zinc/06/07/40/754060740.db2.gz JXSXUSMNURXJKM-OAHLLOKOSA-N 1 2 340.383 0.016 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCN(CC)C3=O)C2)nn1 ZINC001008800889 754132893 /nfs/dbraw/zinc/13/28/93/754132893.db2.gz SEMKTHPOXQRLFS-UKRRQHHQSA-N 1 2 346.435 0.279 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCN(CC)C3=O)C2)nn1 ZINC001008800889 754132895 /nfs/dbraw/zinc/13/28/95/754132895.db2.gz SEMKTHPOXQRLFS-UKRRQHHQSA-N 1 2 346.435 0.279 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001008834425 754176997 /nfs/dbraw/zinc/17/69/97/754176997.db2.gz RMTFVSKSJXBODU-OPRDCNLKSA-N 1 2 343.309 0.617 20 30 ECEDLO C[C@H]([NH2+]C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1)c1csnn1 ZINC001051524934 762276372 /nfs/dbraw/zinc/27/63/72/762276372.db2.gz YHWOSOQDJHBPNH-JQWIXIFHSA-N 1 2 346.416 0.930 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000982935879 754230237 /nfs/dbraw/zinc/23/02/37/754230237.db2.gz QQYZEMBNBLYRSC-ZOBUZTSGSA-N 1 2 346.431 0.829 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3cccnn3)C2)C1=O ZINC001008946364 754344690 /nfs/dbraw/zinc/34/46/90/754344690.db2.gz RIAFQRXOHGRAIK-ZFWWWQNUSA-N 1 2 329.404 0.458 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cccnn3)C2)C1=O ZINC001008946364 754344697 /nfs/dbraw/zinc/34/46/97/754344697.db2.gz RIAFQRXOHGRAIK-ZFWWWQNUSA-N 1 2 329.404 0.458 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001009122207 754553842 /nfs/dbraw/zinc/55/38/42/754553842.db2.gz DBKPJIFERWCNSK-CQSZACIVSA-N 1 2 346.431 0.929 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC001009122207 754553844 /nfs/dbraw/zinc/55/38/44/754553844.db2.gz DBKPJIFERWCNSK-CQSZACIVSA-N 1 2 346.431 0.929 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@H](C)C(=O)NC3CC3)C2)cn1 ZINC001009278834 754737908 /nfs/dbraw/zinc/73/79/08/754737908.db2.gz WTCMWOJQBBVUIU-DYVFJYSZSA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@H](C)C(=O)NC3CC3)C2)cn1 ZINC001009278834 754737910 /nfs/dbraw/zinc/73/79/10/754737910.db2.gz WTCMWOJQBBVUIU-DYVFJYSZSA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3CC3)C2)cn1 ZINC001009278840 754737974 /nfs/dbraw/zinc/73/79/74/754737974.db2.gz WTCMWOJQBBVUIU-SUMWQHHRSA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)cn1 ZINC001009278840 754737976 /nfs/dbraw/zinc/73/79/76/754737976.db2.gz WTCMWOJQBBVUIU-SUMWQHHRSA-N 1 2 340.427 0.924 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cncn3C)C2)nn1 ZINC001098688470 754927678 /nfs/dbraw/zinc/92/76/78/754927678.db2.gz PSAWHXWWMLPZDL-CQSZACIVSA-N 1 2 327.392 0.212 20 30 ECEDLO Cn1cnnc1C[N@@H+]1CC[C@@]2(NC(=O)c3ccc(C#N)[nH]3)CCC[C@H]12 ZINC000990277441 754932866 /nfs/dbraw/zinc/93/28/66/754932866.db2.gz QBGXOFVUKRRIFG-YOEHRIQHSA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1cnnc1C[N@H+]1CC[C@@]2(NC(=O)c3ccc(C#N)[nH]3)CCC[C@H]12 ZINC000990277441 754932868 /nfs/dbraw/zinc/93/28/68/754932868.db2.gz QBGXOFVUKRRIFG-YOEHRIQHSA-N 1 2 339.403 0.942 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3cc(C)n[nH]3)C2)nn1 ZINC001098652004 755121856 /nfs/dbraw/zinc/12/18/56/755121856.db2.gz IRWMQOFBEFFYFI-INIZCTEOSA-N 1 2 341.419 0.439 20 30 ECEDLO N#Cc1ccc(NC[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001060038551 755248869 /nfs/dbraw/zinc/24/88/69/755248869.db2.gz CAMAOJJMOVNMOE-CYBMUJFWSA-N 1 2 325.376 0.895 20 30 ECEDLO N#Cc1cnc(NC[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC001060048678 755482466 /nfs/dbraw/zinc/48/24/66/755482466.db2.gz LPSQBDQTZZNRKM-LBPRGKRZSA-N 1 2 325.376 0.965 20 30 ECEDLO CSCCC(=O)N(C)CC[NH+]1CCN(c2cnc(C#N)cn2)CC1 ZINC001102411836 755626171 /nfs/dbraw/zinc/62/61/71/755626171.db2.gz ONEFJRHOVQYSDV-UHFFFAOYSA-N 1 2 348.476 0.682 20 30 ECEDLO C[C@@H](CC(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1)n1cc[nH+]c1 ZINC000990705174 755654118 /nfs/dbraw/zinc/65/41/18/755654118.db2.gz ZAVGFRWRYLMZIA-NSHDSACASA-N 1 2 326.360 0.675 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)CN2CCCC2=O)C1 ZINC001010109540 755660439 /nfs/dbraw/zinc/66/04/39/755660439.db2.gz ZCLFJFLGPGTFGV-MRXNPFEDSA-N 1 2 326.400 0.871 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)CN2CCCC2=O)C1 ZINC001010109540 755660442 /nfs/dbraw/zinc/66/04/42/755660442.db2.gz ZCLFJFLGPGTFGV-MRXNPFEDSA-N 1 2 326.400 0.871 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088800884 755735803 /nfs/dbraw/zinc/73/58/03/755735803.db2.gz XNPJGFFGEVFOJW-YGRLFVJLSA-N 1 2 343.366 0.614 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088800884 755735805 /nfs/dbraw/zinc/73/58/05/755735805.db2.gz XNPJGFFGEVFOJW-YGRLFVJLSA-N 1 2 343.366 0.614 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@@](C)(O)C3CC3)C2)nn1 ZINC001098659156 755792709 /nfs/dbraw/zinc/79/27/09/755792709.db2.gz MZYRIRCMIXRPEO-SJLPKXTDSA-N 1 2 345.447 0.716 20 30 ECEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1COCCO1 ZINC001010259412 755897695 /nfs/dbraw/zinc/89/76/95/755897695.db2.gz VDNZSDSAGSVOTF-SJORKVTESA-N 1 2 332.375 0.783 20 30 ECEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1COCCO1 ZINC001010259412 755897702 /nfs/dbraw/zinc/89/77/02/755897702.db2.gz VDNZSDSAGSVOTF-SJORKVTESA-N 1 2 332.375 0.783 20 30 ECEDLO C[C@H]1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001010283416 755939304 /nfs/dbraw/zinc/93/93/04/755939304.db2.gz ZKPRLWOKKANWOV-RYUDHWBXSA-N 1 2 340.387 0.819 20 30 ECEDLO CC(C)Cc1noc(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC001051608456 762456469 /nfs/dbraw/zinc/45/64/69/762456469.db2.gz CIPSFKNRZNYQJU-OAHLLOKOSA-N 1 2 346.431 0.999 20 30 ECEDLO C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001076431441 756500866 /nfs/dbraw/zinc/50/08/66/756500866.db2.gz GBPQOVRDLPNIQQ-DZGCQCFKSA-N 1 2 328.416 0.870 20 30 ECEDLO C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001076431931 756501450 /nfs/dbraw/zinc/50/14/50/756501450.db2.gz VENABOWTHUTKPU-DZGCQCFKSA-N 1 2 328.416 0.870 20 30 ECEDLO Cn1oc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)cc1=O ZINC001010774565 756506113 /nfs/dbraw/zinc/50/61/13/756506113.db2.gz SPBFLEKMOIWMPL-CYBMUJFWSA-N 1 2 344.346 0.993 20 30 ECEDLO Cn1oc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)cc1=O ZINC001010774565 756506119 /nfs/dbraw/zinc/50/61/19/756506119.db2.gz SPBFLEKMOIWMPL-CYBMUJFWSA-N 1 2 344.346 0.993 20 30 ECEDLO N#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)[nH]1 ZINC000990891964 756709381 /nfs/dbraw/zinc/70/93/81/756709381.db2.gz HOQPPIBQYLAONR-LLVKDONJSA-N 1 2 338.371 0.286 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccc3C)C2)C1=O ZINC001076700767 756877315 /nfs/dbraw/zinc/87/73/15/756877315.db2.gz UHYRHFJIEGGASA-IXDOHACOSA-N 1 2 343.427 0.557 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccc3C)C2)C1=O ZINC001076700767 756877321 /nfs/dbraw/zinc/87/73/21/756877321.db2.gz UHYRHFJIEGGASA-IXDOHACOSA-N 1 2 343.427 0.557 20 30 ECEDLO Cc1cnc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)cn1 ZINC001076705123 756893614 /nfs/dbraw/zinc/89/36/14/756893614.db2.gz VKFXUOVBMOUESB-IAGOWNOFSA-N 1 2 337.383 0.632 20 30 ECEDLO Cc1cnc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)cn1 ZINC001076705123 756893619 /nfs/dbraw/zinc/89/36/19/756893619.db2.gz VKFXUOVBMOUESB-IAGOWNOFSA-N 1 2 337.383 0.632 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccsc3)C2)C1=O ZINC001076706617 756896315 /nfs/dbraw/zinc/89/63/15/756896315.db2.gz PZBIFEDURQKCPF-QLFBSQMISA-N 1 2 349.456 0.239 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccsc3)C2)C1=O ZINC001076706617 756896321 /nfs/dbraw/zinc/89/63/21/756896321.db2.gz PZBIFEDURQKCPF-QLFBSQMISA-N 1 2 349.456 0.239 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)no1 ZINC001076717398 756913023 /nfs/dbraw/zinc/91/30/23/756913023.db2.gz DDAXISWBZBNFKS-HZPDHXFCSA-N 1 2 326.356 0.830 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)no1 ZINC001076717398 756913026 /nfs/dbraw/zinc/91/30/26/756913026.db2.gz DDAXISWBZBNFKS-HZPDHXFCSA-N 1 2 326.356 0.830 20 30 ECEDLO CC1(C)CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1NCC#N ZINC000996094066 756946648 /nfs/dbraw/zinc/94/66/48/756946648.db2.gz XAPDOACQUIISRM-HZPDHXFCSA-N 1 2 334.464 0.837 20 30 ECEDLO CC1(C)CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C[C@H]1NCC#N ZINC000996094066 756946654 /nfs/dbraw/zinc/94/66/54/756946654.db2.gz XAPDOACQUIISRM-HZPDHXFCSA-N 1 2 334.464 0.837 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)CC(F)(F)F)nn2)C1 ZINC001107140767 756962894 /nfs/dbraw/zinc/96/28/94/756962894.db2.gz UCDCJMRZQFXDIV-UHFFFAOYSA-N 1 2 347.341 0.906 20 30 ECEDLO Cn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001076750724 756984881 /nfs/dbraw/zinc/98/48/81/756984881.db2.gz DXLBCQSGEWHEMQ-UKRRQHHQSA-N 1 2 330.413 0.933 20 30 ECEDLO Cn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001076750724 756984885 /nfs/dbraw/zinc/98/48/85/756984885.db2.gz DXLBCQSGEWHEMQ-UKRRQHHQSA-N 1 2 330.413 0.933 20 30 ECEDLO C=CCCC(=O)NCc1cn(C2C[NH+](CCOCCOC)C2)nn1 ZINC001107142580 757011977 /nfs/dbraw/zinc/01/19/77/757011977.db2.gz KHBIYODCCYAINW-UHFFFAOYSA-N 1 2 337.424 0.380 20 30 ECEDLO C=CCn1cc(C(=O)N2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)nn1 ZINC001011155243 757049067 /nfs/dbraw/zinc/04/90/67/757049067.db2.gz IDFKCRBARVABNR-UHFFFAOYSA-N 1 2 343.391 0.104 20 30 ECEDLO C=CCn1cc(C(=O)N2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)nn1 ZINC001011155243 757049079 /nfs/dbraw/zinc/04/90/79/757049079.db2.gz IDFKCRBARVABNR-UHFFFAOYSA-N 1 2 343.391 0.104 20 30 ECEDLO Cc1cnn(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)c1 ZINC001076778038 757073474 /nfs/dbraw/zinc/07/34/74/757073474.db2.gz NTLQEJQUJSKONV-HUUCEWRRSA-N 1 2 345.428 0.486 20 30 ECEDLO Cc1cnn(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)c1 ZINC001076778038 757073481 /nfs/dbraw/zinc/07/34/81/757073481.db2.gz NTLQEJQUJSKONV-HUUCEWRRSA-N 1 2 345.428 0.486 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CC3OCCCO3)nn2)C1 ZINC001107164014 757197772 /nfs/dbraw/zinc/19/77/72/757197772.db2.gz LWZDMUIYVODHNL-UHFFFAOYSA-N 1 2 335.408 0.480 20 30 ECEDLO N#Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccon3)C2)ccc1F ZINC001076818907 757246499 /nfs/dbraw/zinc/24/64/99/757246499.db2.gz UBEKGEURXSRBGY-HZPDHXFCSA-N 1 2 344.346 0.589 20 30 ECEDLO N#Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccon3)C2)ccc1F ZINC001076818907 757246505 /nfs/dbraw/zinc/24/65/05/757246505.db2.gz UBEKGEURXSRBGY-HZPDHXFCSA-N 1 2 344.346 0.589 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CN(C)C(=O)C3CC3)nn2)C1 ZINC001107176850 757257007 /nfs/dbraw/zinc/25/70/07/757257007.db2.gz QACLTSMQAPJYRF-UHFFFAOYSA-N 1 2 346.435 0.196 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCNC(=O)[C@H]3C[C@H]3C)nn2)C1 ZINC001107176972 757258858 /nfs/dbraw/zinc/25/88/58/757258858.db2.gz VVTDNSCLCQMZBX-DOMZBBRYSA-N 1 2 346.435 0.099 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[C@H]3CCN(C)C3=O)nn2)C1 ZINC001107180397 757301317 /nfs/dbraw/zinc/30/13/17/757301317.db2.gz PSWHMBNPDLYFNL-CYBMUJFWSA-N 1 2 346.435 0.196 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C(C)=C3CCCC3)C2)C1=O ZINC001076865487 757413318 /nfs/dbraw/zinc/41/33/18/757413318.db2.gz JJAPQSHYOHZGNL-BRWVUGGUSA-N 1 2 347.459 0.825 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C(C)=C3CCCC3)C2)C1=O ZINC001076865487 757413323 /nfs/dbraw/zinc/41/33/23/757413323.db2.gz JJAPQSHYOHZGNL-BRWVUGGUSA-N 1 2 347.459 0.825 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](OCC)[C@@H]3CCOC3)nn2)C1 ZINC001107189581 757425814 /nfs/dbraw/zinc/42/58/14/757425814.db2.gz CXKDFEXDVAAECS-CZUORRHYSA-N 1 2 349.435 0.379 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCc3ccccn3)nn2)C1 ZINC001107190926 757440731 /nfs/dbraw/zinc/44/07/31/757440731.db2.gz IFNBGEFTUIWSIZ-UHFFFAOYSA-N 1 2 338.415 0.802 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCCO3)C2)s1 ZINC001076885936 757467974 /nfs/dbraw/zinc/46/79/74/757467974.db2.gz SFFSRKIRRVFZBQ-RBSFLKMASA-N 1 2 335.429 0.850 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCCO3)C2)s1 ZINC001076885936 757467978 /nfs/dbraw/zinc/46/79/78/757467978.db2.gz SFFSRKIRRVFZBQ-RBSFLKMASA-N 1 2 335.429 0.850 20 30 ECEDLO C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@@H]1O ZINC001048941115 757473790 /nfs/dbraw/zinc/47/37/90/757473790.db2.gz KAXMCCPFIYJCAS-KBMXLJTQSA-N 1 2 348.447 0.975 20 30 ECEDLO C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001048941115 757473795 /nfs/dbraw/zinc/47/37/95/757473795.db2.gz KAXMCCPFIYJCAS-KBMXLJTQSA-N 1 2 348.447 0.975 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)cn1 ZINC001011319294 757503320 /nfs/dbraw/zinc/50/33/20/757503320.db2.gz IVWPNSYXLLWKSG-HZPDHXFCSA-N 1 2 349.394 0.874 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)cn1 ZINC001011319294 757503329 /nfs/dbraw/zinc/50/33/29/757503329.db2.gz IVWPNSYXLLWKSG-HZPDHXFCSA-N 1 2 349.394 0.874 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]21 ZINC001021586665 757644855 /nfs/dbraw/zinc/64/48/55/757644855.db2.gz ZEFHIVICNIVXSG-KLZNWCGWSA-N 1 2 338.411 0.986 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]21 ZINC001021586665 757644864 /nfs/dbraw/zinc/64/48/64/757644864.db2.gz ZEFHIVICNIVXSG-KLZNWCGWSA-N 1 2 338.411 0.986 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)C[C@H]3C[C@@H]3C)nn2)C1 ZINC001107205481 757660251 /nfs/dbraw/zinc/66/02/51/757660251.db2.gz XPISLJWQZHOCHE-UONOGXRCSA-N 1 2 333.436 1.000 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)C3(CF)CC3)nn2)C1 ZINC001107209556 757688002 /nfs/dbraw/zinc/68/80/02/757688002.db2.gz UKMPUQZNFRJEOP-UHFFFAOYSA-N 1 2 337.399 0.703 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1O)[C@@H]1CC1(F)F ZINC001076969361 757778436 /nfs/dbraw/zinc/77/84/36/757778436.db2.gz RYNZXRXJVCPXIK-RRFJBIMHSA-N 1 2 338.329 0.994 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1O)[C@@H]1CC1(F)F ZINC001076969361 757778445 /nfs/dbraw/zinc/77/84/45/757778445.db2.gz RYNZXRXJVCPXIK-RRFJBIMHSA-N 1 2 338.329 0.994 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C(=O)N3CCC[C@H]3CC)nn2)C1 ZINC001107227048 757886737 /nfs/dbraw/zinc/88/67/37/757886737.db2.gz BQGHYWREIHJAFJ-CQSZACIVSA-N 1 2 346.435 0.338 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C3(C(=O)N(C)C)CC3)nn2)C1 ZINC001107227751 757982515 /nfs/dbraw/zinc/98/25/15/757982515.db2.gz QSRCDFRYUKCCHZ-UHFFFAOYSA-N 1 2 346.435 0.196 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@]34C[C@H]3COC4)C2)s1 ZINC001077030482 757993072 /nfs/dbraw/zinc/99/30/72/757993072.db2.gz MNASFYRHLJPMAI-YDEYXMKJSA-N 1 2 333.413 0.318 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@]34C[C@H]3COC4)C2)s1 ZINC001077030482 757993079 /nfs/dbraw/zinc/99/30/79/757993079.db2.gz MNASFYRHLJPMAI-YDEYXMKJSA-N 1 2 333.413 0.318 20 30 ECEDLO C=CCN1CC(n2cc(CNC(=O)CCCn3cc[nH+]c3)nn2)C1 ZINC001107242565 757999174 /nfs/dbraw/zinc/99/91/74/757999174.db2.gz UKPHSTLBVIYMLI-UHFFFAOYSA-N 1 2 329.408 0.614 20 30 ECEDLO C=C(Cl)CN1CC(n2cc(CNC(=O)Cn3cc[nH+]c3)nn2)C1 ZINC001107242301 758000032 /nfs/dbraw/zinc/00/00/32/758000032.db2.gz QOTZSULYJCWCBR-UHFFFAOYSA-N 1 2 335.799 0.400 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)C3CCOCC3)nn2)C1 ZINC001107242634 758001557 /nfs/dbraw/zinc/00/15/57/758001557.db2.gz XPWXVHGWVLTXIX-AWEZNQCLSA-N 1 2 345.447 0.837 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)Cc3c(C)n[nH]c3C)nn2)C1 ZINC001107234814 758017805 /nfs/dbraw/zinc/01/78/05/758017805.db2.gz RIQIGDPWNKSRQI-UHFFFAOYSA-N 1 2 343.435 0.910 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3c[nH]cc3C)nn2)C1 ZINC001107234648 758018256 /nfs/dbraw/zinc/01/82/56/758018256.db2.gz OADVJMCTEJMXAG-UHFFFAOYSA-N 1 2 344.419 0.904 20 30 ECEDLO C=CCO[C@@H](C)C(=O)NC/C=C/CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001107235477 758023670 /nfs/dbraw/zinc/02/36/70/758023670.db2.gz IQXUXLKNWQHNLP-GUOLPTJISA-N 1 2 334.424 0.921 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](C)OCCOCC)nn2)C1 ZINC001107238504 758032867 /nfs/dbraw/zinc/03/28/67/758032867.db2.gz AJQBKVDLKQQLPJ-ZDUSSCGKSA-N 1 2 337.424 0.379 20 30 ECEDLO C=C(Cl)CN1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1 ZINC001083563920 758206607 /nfs/dbraw/zinc/20/66/07/758206607.db2.gz ICKLRLFZXBEPCF-OLZOCXBDSA-N 1 2 326.828 0.840 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCN(C(=O)CCn3cc[nH+]c3)CC2)cn1 ZINC001011729026 758424255 /nfs/dbraw/zinc/42/42/55/758424255.db2.gz XXNWSFYMAKUQTK-UHFFFAOYSA-N 1 2 337.383 0.634 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001077200125 758508665 /nfs/dbraw/zinc/50/86/65/758508665.db2.gz BYNJDIYOYPRPBP-HUUCEWRRSA-N 1 2 339.355 0.029 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001077200125 758508672 /nfs/dbraw/zinc/50/86/72/758508672.db2.gz BYNJDIYOYPRPBP-HUUCEWRRSA-N 1 2 339.355 0.029 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnc(C)[nH]2)C1=O ZINC001032317057 758511851 /nfs/dbraw/zinc/51/18/51/758511851.db2.gz CHNIUCDEDXYLHI-YDHLFZDLSA-N 1 2 329.404 0.404 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnc(C)[nH]2)C1=O ZINC001032317057 758511856 /nfs/dbraw/zinc/51/18/56/758511856.db2.gz CHNIUCDEDXYLHI-YDHLFZDLSA-N 1 2 329.404 0.404 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)cn1 ZINC001022294422 758532341 /nfs/dbraw/zinc/53/23/41/758532341.db2.gz GFUALMJWIFJJTJ-WMLDXEAASA-N 1 2 349.394 0.702 20 30 ECEDLO Cn1ncc(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)c2cc(C#N)c[nH]2)n1 ZINC001049399692 758632751 /nfs/dbraw/zinc/63/27/51/758632751.db2.gz AXVCYVQZIYJKQQ-JKSUJKDBSA-N 1 2 339.403 0.894 20 30 ECEDLO Cn1ncc(C[N@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)c2cc(C#N)c[nH]2)n1 ZINC001049399692 758632759 /nfs/dbraw/zinc/63/27/59/758632759.db2.gz AXVCYVQZIYJKQQ-JKSUJKDBSA-N 1 2 339.403 0.894 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)nc3ccnn3c2C)C1 ZINC001077266141 758643098 /nfs/dbraw/zinc/64/30/98/758643098.db2.gz ZOBHZQJCUMNPKF-ZIAGYGMSSA-N 1 2 327.388 0.144 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)nc3ccnn3c2C)C1 ZINC001077266141 758643104 /nfs/dbraw/zinc/64/31/04/758643104.db2.gz ZOBHZQJCUMNPKF-ZIAGYGMSSA-N 1 2 327.388 0.144 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001022377374 758643168 /nfs/dbraw/zinc/64/31/68/758643168.db2.gz KZCVPDZEEASSOQ-MELADBBJSA-N 1 2 329.404 0.572 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001011829691 758686830 /nfs/dbraw/zinc/68/68/30/758686830.db2.gz FWOZAYHEATXUNN-NHYWBVRUSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001011829691 758686837 /nfs/dbraw/zinc/68/68/37/758686837.db2.gz FWOZAYHEATXUNN-NHYWBVRUSA-N 1 2 340.387 0.961 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1O ZINC001049449347 758721307 /nfs/dbraw/zinc/72/13/07/758721307.db2.gz DSARJEUIRNBILV-MPGHIAIKSA-N 1 2 348.447 0.893 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2N2CCCC2)C1 ZINC001077320452 758788817 /nfs/dbraw/zinc/78/88/17/758788817.db2.gz CYVOXACJTWARHG-HZPDHXFCSA-N 1 2 328.416 0.480 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2N2CCCC2)C1 ZINC001077320452 758788823 /nfs/dbraw/zinc/78/88/23/758788823.db2.gz CYVOXACJTWARHG-HZPDHXFCSA-N 1 2 328.416 0.480 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H]2C)cn1 ZINC001011937447 759000640 /nfs/dbraw/zinc/00/06/40/759000640.db2.gz IULXDEYVEDPYTD-SWLSCSKDSA-N 1 2 337.383 0.748 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C)nc1 ZINC001012006017 759180541 /nfs/dbraw/zinc/18/05/41/759180541.db2.gz AUWRUTHZYQYZGU-JSGCOSHPSA-N 1 2 337.383 0.748 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)C1CC(Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001127006438 759237567 /nfs/dbraw/zinc/23/75/67/759237567.db2.gz QMWQXXYNFNYJJF-LMWSTFAQSA-N 1 2 346.435 0.686 20 30 ECEDLO NC(=O)c1nccnc1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001032175693 759338428 /nfs/dbraw/zinc/33/84/28/759338428.db2.gz VCRSJGFNVYCXJI-UHFFFAOYSA-N 1 2 349.394 0.289 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2[nH]ccc2C)[C@H](OC)C1 ZINC001212199135 767856876 /nfs/dbraw/zinc/85/68/76/767856876.db2.gz QTBRLZSXQQOEJG-MGPQQGTHSA-N 1 2 334.420 0.443 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2[nH]ccc2C)[C@H](OC)C1 ZINC001212199135 767856881 /nfs/dbraw/zinc/85/68/81/767856881.db2.gz QTBRLZSXQQOEJG-MGPQQGTHSA-N 1 2 334.420 0.443 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2C[N@H+](CC(=O)Nc3cnccn3)C[C@H]21 ZINC001050000540 759527375 /nfs/dbraw/zinc/52/73/75/759527375.db2.gz YKLZWNXKVJATMY-HZSPNIEDSA-N 1 2 342.403 0.498 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2C[N@@H+](CC(=O)Nc3cnccn3)C[C@H]21 ZINC001050000540 759527381 /nfs/dbraw/zinc/52/73/81/759527381.db2.gz YKLZWNXKVJATMY-HZSPNIEDSA-N 1 2 342.403 0.498 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001050099364 759701004 /nfs/dbraw/zinc/70/10/04/759701004.db2.gz YYVXWAWHHXVXED-WCQYABFASA-N 1 2 349.460 0.871 20 30 ECEDLO C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001050104642 759711808 /nfs/dbraw/zinc/71/18/08/759711808.db2.gz RPHWNDSISZPQRY-STQMWFEESA-N 1 2 335.433 0.493 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3nn(C)cc3C)C2)nn1 ZINC001098672623 759904973 /nfs/dbraw/zinc/90/49/73/759904973.db2.gz GXLCFAIJHKUSEZ-AWEZNQCLSA-N 1 2 327.392 0.130 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC[C@@H](n2cc(C[NH2+]CC#CC)nn2)C1 ZINC001098672674 759923260 /nfs/dbraw/zinc/92/32/60/759923260.db2.gz ISAHGOBWOKLBRT-GOEBONIOSA-N 1 2 329.404 0.203 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[NH+](CC(=O)Nc1cnccn1)CC2 ZINC001050463771 760308135 /nfs/dbraw/zinc/30/81/35/760308135.db2.gz ZUVDZIUVSJAHDS-ZDUSSCGKSA-N 1 2 342.403 0.499 20 30 ECEDLO C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001050490923 760353823 /nfs/dbraw/zinc/35/38/23/760353823.db2.gz MOTBCOGGHZCFRV-CHWSQXEVSA-N 1 2 340.387 0.750 20 30 ECEDLO C[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@H]2CNc2cnc(C#N)cn2)C1 ZINC001060225680 760499848 /nfs/dbraw/zinc/49/98/48/760499848.db2.gz XAVVNVMPPAVONR-GJZGRUSLSA-N 1 2 344.419 0.472 20 30 ECEDLO C[N@H+]1CCO[C@H](C(=O)N2CCCC[C@H]2CNc2cnc(C#N)cn2)C1 ZINC001060225680 760499851 /nfs/dbraw/zinc/49/98/51/760499851.db2.gz XAVVNVMPPAVONR-GJZGRUSLSA-N 1 2 344.419 0.472 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)OCC)nn2)C1 ZINC001107132268 760549560 /nfs/dbraw/zinc/54/95/60/760549560.db2.gz PBZSGJKXGPNQIU-CYBMUJFWSA-N 1 2 337.424 0.379 20 30 ECEDLO C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@@H]1O ZINC001048530323 760668323 /nfs/dbraw/zinc/66/83/23/760668323.db2.gz CJEJLWIZWOKKTQ-BPUTZDHNSA-N 1 2 346.431 0.442 20 30 ECEDLO C=CCCOCC(=O)NCC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001060236030 760811864 /nfs/dbraw/zinc/81/18/64/760811864.db2.gz XDVQCYHLIODAPI-CQSZACIVSA-N 1 2 334.420 0.900 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001013048994 761009532 /nfs/dbraw/zinc/00/95/32/761009532.db2.gz LMBKIUZSBVAVMU-CJNGLKHVSA-N 1 2 337.383 0.679 20 30 ECEDLO CC#CCN1CCOC[C@H]1CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001050925161 761154020 /nfs/dbraw/zinc/15/40/20/761154020.db2.gz PFCNFEAOXGFGKB-RHSMWYFYSA-N 1 2 345.447 0.630 20 30 ECEDLO CC#CCN1CCOC[C@H]1CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001050925161 761154025 /nfs/dbraw/zinc/15/40/25/761154025.db2.gz PFCNFEAOXGFGKB-RHSMWYFYSA-N 1 2 345.447 0.630 20 30 ECEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@H]2COCCN2CC#N)[nH]n1 ZINC001050926321 761155215 /nfs/dbraw/zinc/15/52/15/761155215.db2.gz ZXYFIKPUSKPAFN-SWLSCSKDSA-N 1 2 332.408 0.131 20 30 ECEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@H]2COCCN2CC#N)[nH]n1 ZINC001050926321 761155218 /nfs/dbraw/zinc/15/52/18/761155218.db2.gz ZXYFIKPUSKPAFN-SWLSCSKDSA-N 1 2 332.408 0.131 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1nnn(C(C)(C)C)n1 ZINC001050927872 761156876 /nfs/dbraw/zinc/15/68/76/761156876.db2.gz SBODMAWDVJPWRQ-ZDUSSCGKSA-N 1 2 336.440 0.825 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1nnn(C(C)(C)C)n1 ZINC001050927872 761156880 /nfs/dbraw/zinc/15/68/80/761156880.db2.gz SBODMAWDVJPWRQ-ZDUSSCGKSA-N 1 2 336.440 0.825 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1nc(OC)cc(OC)n1 ZINC001050979874 761266584 /nfs/dbraw/zinc/26/65/84/761266584.db2.gz DASXGQAFBPYTMQ-GFCCVEGCSA-N 1 2 336.392 0.501 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1nc(OC)cc(OC)n1 ZINC001050979874 761266588 /nfs/dbraw/zinc/26/65/88/761266588.db2.gz DASXGQAFBPYTMQ-GFCCVEGCSA-N 1 2 336.392 0.501 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cc1c[nH+]cn1C ZINC001013329674 761313753 /nfs/dbraw/zinc/31/37/53/761313753.db2.gz WCUGTMGZZSDWJC-AAEUAGOBSA-N 1 2 340.387 0.582 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cc1c[nH+]cn1C ZINC001013329681 761314103 /nfs/dbraw/zinc/31/41/03/761314103.db2.gz WCUGTMGZZSDWJC-YPMHNXCESA-N 1 2 340.387 0.582 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@@H]([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001051016743 761343042 /nfs/dbraw/zinc/34/30/42/761343042.db2.gz IIUSEYNYPHRTEU-UONOGXRCSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)Cc3ncc[nH]3)CC2)C1 ZINC001105728416 761362555 /nfs/dbraw/zinc/36/25/55/761362555.db2.gz UWOKWSDEQULMEI-UHFFFAOYSA-N 1 2 348.447 0.847 20 30 ECEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)c3cccnn3)CC2)C1 ZINC001105728488 761363679 /nfs/dbraw/zinc/36/36/79/761363679.db2.gz XBFLETORBCUPOT-UHFFFAOYSA-N 1 2 346.431 0.985 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nc(C)nn2C1 ZINC001051043283 761382144 /nfs/dbraw/zinc/38/21/44/761382144.db2.gz ITCHZCYWQQBPKS-CABCVRRESA-N 1 2 333.436 0.542 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nc(C)nn2C1 ZINC001051043283 761382153 /nfs/dbraw/zinc/38/21/53/761382153.db2.gz ITCHZCYWQQBPKS-CABCVRRESA-N 1 2 333.436 0.542 20 30 ECEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)Cn3cncn3)CC2)C1 ZINC001105734093 761409455 /nfs/dbraw/zinc/40/94/55/761409455.db2.gz YWWXZVZMZJTFCB-UHFFFAOYSA-N 1 2 349.435 0.173 20 30 ECEDLO C[C@@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001054542882 768036440 /nfs/dbraw/zinc/03/64/40/768036440.db2.gz INLLZSOIGNTNTB-XQLPTFJDSA-N 1 2 329.404 0.929 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@H]2C)nc1 ZINC001013467211 761454102 /nfs/dbraw/zinc/45/41/02/761454102.db2.gz DFIANRVFDDMBTJ-IUODEOHRSA-N 1 2 337.383 0.748 20 30 ECEDLO C=CCN1CCOC[C@@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001051192132 761656697 /nfs/dbraw/zinc/65/66/97/761656697.db2.gz OLCXEUWKTBTGIH-HNNXBMFYSA-N 1 2 327.388 0.884 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn(C2CCOCC2)nn1 ZINC001051198495 761671894 /nfs/dbraw/zinc/67/18/94/761671894.db2.gz UTIMIJFYWNSMAZ-HNNXBMFYSA-N 1 2 349.435 0.636 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn(C2CCOCC2)nn1 ZINC001051198495 761671896 /nfs/dbraw/zinc/67/18/96/761671896.db2.gz UTIMIJFYWNSMAZ-HNNXBMFYSA-N 1 2 349.435 0.636 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccnc2nc(C)nn21 ZINC001051205505 761684802 /nfs/dbraw/zinc/68/48/02/761684802.db2.gz YWJXFIMFTFHHND-AWEZNQCLSA-N 1 2 344.419 0.830 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccnc2nc(C)nn21 ZINC001051205505 761684804 /nfs/dbraw/zinc/68/48/04/761684804.db2.gz YWJXFIMFTFHHND-AWEZNQCLSA-N 1 2 344.419 0.830 20 30 ECEDLO C#CCCN1CCOC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001051207725 761689700 /nfs/dbraw/zinc/68/97/00/761689700.db2.gz VKRNUPVBBRVINR-MRXNPFEDSA-N 1 2 339.399 0.721 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C2=CCCCCC2)[C@H](OC)C1 ZINC001212164055 761785411 /nfs/dbraw/zinc/78/54/11/761785411.db2.gz WJAAZOIQCRHYOZ-HZPDHXFCSA-N 1 2 333.432 0.442 20 30 ECEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C2=CCCCCC2)[C@H](OC)C1 ZINC001212164055 761785418 /nfs/dbraw/zinc/78/54/18/761785418.db2.gz WJAAZOIQCRHYOZ-HZPDHXFCSA-N 1 2 333.432 0.442 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(C(N)=O)ccn1 ZINC001051272335 761803804 /nfs/dbraw/zinc/80/38/04/761803804.db2.gz BEFOBWYFBALCQX-CQSZACIVSA-N 1 2 332.404 0.577 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(C(N)=O)ccn1 ZINC001051272335 761803817 /nfs/dbraw/zinc/80/38/17/761803817.db2.gz BEFOBWYFBALCQX-CQSZACIVSA-N 1 2 332.404 0.577 20 30 ECEDLO Cc1ccc(C#N)c(N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](O)C2)n1 ZINC001051790827 762974892 /nfs/dbraw/zinc/97/48/92/762974892.db2.gz YLPOZWGYYURQMI-GJZGRUSLSA-N 1 2 340.387 0.283 20 30 ECEDLO C#CCOCCC(=O)NC[C@H](O)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001105967045 763091825 /nfs/dbraw/zinc/09/18/25/763091825.db2.gz TYHCYYGNSMFMDS-CQSZACIVSA-N 1 2 334.420 0.837 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001105967282 763093003 /nfs/dbraw/zinc/09/30/03/763093003.db2.gz YPOUUZUQYWWICP-AWEZNQCLSA-N 1 2 332.404 0.591 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]2O)C1 ZINC000991745677 763153614 /nfs/dbraw/zinc/15/36/14/763153614.db2.gz HNSGEYLATYVRHT-KBPBESRZSA-N 1 2 346.431 0.777 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nnc(C)o3)C2)cn1 ZINC001051907913 763301058 /nfs/dbraw/zinc/30/10/58/763301058.db2.gz CQDVSMLFYSNFRO-HNNXBMFYSA-N 1 2 341.371 0.385 20 30 ECEDLO Cc1nn[nH]c1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031890793 763334009 /nfs/dbraw/zinc/33/40/09/763334009.db2.gz OELOFJKKEIEXRO-UHFFFAOYSA-N 1 2 328.351 0.986 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2C[NH+](C[C@@H]3CCS(=O)(=O)C3)C2)cc1 ZINC001031892338 763347555 /nfs/dbraw/zinc/34/75/55/763347555.db2.gz XXJIHAFLYLFNKH-HNNXBMFYSA-N 1 2 346.452 0.764 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001014880226 763359873 /nfs/dbraw/zinc/35/98/73/763359873.db2.gz IXSJPOCYIAWYGM-JSGCOSHPSA-N 1 2 340.387 0.892 20 30 ECEDLO C=CCn1cccc1C(=O)NC1C[NH+](Cc2ccn(C)c(=O)c2)C1 ZINC001030446819 763362353 /nfs/dbraw/zinc/36/23/53/763362353.db2.gz SEUAZOUDQUKULS-UHFFFAOYSA-N 1 2 326.400 0.987 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001014883189 763365434 /nfs/dbraw/zinc/36/54/34/763365434.db2.gz VIRJSSDHFQBMFN-DOMZBBRYSA-N 1 2 340.387 0.892 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2O)C1 ZINC000991773039 763378303 /nfs/dbraw/zinc/37/83/03/763378303.db2.gz UUDJENHETKMQNY-STQMWFEESA-N 1 2 332.404 0.387 20 30 ECEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCS(C)(=O)=O ZINC001098982086 763435883 /nfs/dbraw/zinc/43/58/83/763435883.db2.gz IJDPQKPFPHGSSB-QWHCGFSZSA-N 1 2 329.466 0.797 20 30 ECEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCS(C)(=O)=O ZINC001098982086 763435889 /nfs/dbraw/zinc/43/58/89/763435889.db2.gz IJDPQKPFPHGSSB-QWHCGFSZSA-N 1 2 329.466 0.797 20 30 ECEDLO C=CCN1CC[C@@H](N2CC[NH+]([C@H]3CCN(C(=O)C4CC4)C3)CC2)C1=O ZINC001051962291 763459525 /nfs/dbraw/zinc/45/95/25/763459525.db2.gz DAPFFZIDXIIRNU-DLBZAZTESA-N 1 2 346.475 0.402 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN([C@H]3CCN(C(=O)C4CC4)C3)CC2)C1=O ZINC001051962291 763459527 /nfs/dbraw/zinc/45/95/27/763459527.db2.gz DAPFFZIDXIIRNU-DLBZAZTESA-N 1 2 346.475 0.402 20 30 ECEDLO CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001046970313 763488807 /nfs/dbraw/zinc/48/88/07/763488807.db2.gz IMIDUTDKZUOPTH-NSHDSACASA-N 1 2 326.347 0.836 20 30 ECEDLO CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001046970313 763488814 /nfs/dbraw/zinc/48/88/14/763488814.db2.gz IMIDUTDKZUOPTH-NSHDSACASA-N 1 2 326.347 0.836 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3COCCO3)C2)CC1 ZINC001051988647 763525022 /nfs/dbraw/zinc/52/50/22/763525022.db2.gz XOFJFRWQFPXKJH-GJZGRUSLSA-N 1 2 343.855 0.373 20 30 ECEDLO CCc1nc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)no1 ZINC001051997587 763547610 /nfs/dbraw/zinc/54/76/10/763547610.db2.gz DWXLNLYIRAFAGH-KBPBESRZSA-N 1 2 346.435 0.510 20 30 ECEDLO Cc1nonc1CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001051998128 763550609 /nfs/dbraw/zinc/55/06/09/763550609.db2.gz NNQGAOOVIPFKJM-JSGCOSHPSA-N 1 2 332.408 0.256 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(Cc3cccnc3)CC2)C1 ZINC001051998587 763551423 /nfs/dbraw/zinc/55/14/23/763551423.db2.gz VYHJMOYCTUOJGU-WBVHZDCISA-N 1 2 327.432 0.960 20 30 ECEDLO CCn1ncc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)n1 ZINC001051998641 763552894 /nfs/dbraw/zinc/55/28/94/763552894.db2.gz WZPUOGZVJJDZDT-ZBFHGGJFSA-N 1 2 345.451 0.176 20 30 ECEDLO Cc1ncoc1C[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001051998698 763553195 /nfs/dbraw/zinc/55/31/95/763553195.db2.gz YKHURLPYPZRRPN-UKRRQHHQSA-N 1 2 331.420 0.861 20 30 ECEDLO Cc1ncoc1CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001051998698 763553200 /nfs/dbraw/zinc/55/32/00/763553200.db2.gz YKHURLPYPZRRPN-UKRRQHHQSA-N 1 2 331.420 0.861 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccc(=O)[nH]3)C2)CC1 ZINC001052003794 763565985 /nfs/dbraw/zinc/56/59/85/763565985.db2.gz BQBAQCAYKZYPQI-HNNXBMFYSA-N 1 2 328.416 0.643 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)C3CN(C(C)=O)C3)C2)CC1 ZINC001052018291 763597408 /nfs/dbraw/zinc/59/74/08/763597408.db2.gz HAYOVKZENWFQIH-KRWDZBQOSA-N 1 2 334.464 0.259 20 30 ECEDLO Cc1nnc(CN2CC[NH+]([C@H]3CCN(C(=O)C#CC4CC4)C3)CC2)[nH]1 ZINC001052026032 763617454 /nfs/dbraw/zinc/61/74/54/763617454.db2.gz MQOOISROKVUUCR-INIZCTEOSA-N 1 2 342.447 0.245 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)Cn3nccn3)C2)CC1 ZINC001052032094 763633803 /nfs/dbraw/zinc/63/38/03/763633803.db2.gz ACBMVSAZYGXCRN-AWEZNQCLSA-N 1 2 338.843 0.249 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C)nnc3C)C2)CC1 ZINC001052034029 763639024 /nfs/dbraw/zinc/63/90/24/763639024.db2.gz ZQTLOGFWLMYJIV-QGZVFWFLSA-N 1 2 341.459 0.949 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(C)nnc3C)C2)CC1 ZINC001052034029 763639032 /nfs/dbraw/zinc/63/90/32/763639032.db2.gz ZQTLOGFWLMYJIV-QGZVFWFLSA-N 1 2 341.459 0.949 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC(=O)N(CC)C3)C2)CC1 ZINC001052035113 763640636 /nfs/dbraw/zinc/64/06/36/763640636.db2.gz AHNONSOYPWEWJH-IRXDYDNUSA-N 1 2 346.475 0.097 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn4c3CCC4)C2)CC1 ZINC001052035671 763643365 /nfs/dbraw/zinc/64/33/65/763643365.db2.gz NFUROQDYWZKSBF-AWEZNQCLSA-N 1 2 328.420 0.185 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn4ncccc34)C2)CC1 ZINC001052037821 763656631 /nfs/dbraw/zinc/65/66/31/763656631.db2.gz TXYJBEXLTTWHET-CQSZACIVSA-N 1 2 339.403 0.085 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3CCN(C)C3=O)C2)CC1 ZINC001052040810 763663715 /nfs/dbraw/zinc/66/37/15/763663715.db2.gz LCPMREGNSNKFPB-IRXDYDNUSA-N 1 2 348.491 0.649 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)C[C@H]3CCN(C)C3=O)C2)CC1 ZINC001052040811 763663737 /nfs/dbraw/zinc/66/37/37/763663737.db2.gz LCPMREGNSNKFPB-SJORKVTESA-N 1 2 348.491 0.649 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3CCN(C)C3=O)C2)CC1 ZINC001052040808 763664351 /nfs/dbraw/zinc/66/43/51/763664351.db2.gz LCPMREGNSNKFPB-DLBZAZTESA-N 1 2 348.491 0.649 20 30 ECEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)nc1 ZINC001106008179 763665869 /nfs/dbraw/zinc/66/58/69/763665869.db2.gz WDDVXELUWDTMHV-UKRRQHHQSA-N 1 2 340.387 0.301 20 30 ECEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@H]2CCn3c[nH+]cc3C2)nc1 ZINC001106008175 763665905 /nfs/dbraw/zinc/66/59/05/763665905.db2.gz WDDVXELUWDTMHV-DZGCQCFKSA-N 1 2 340.387 0.301 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc4n3CCOC4)C2)CC1 ZINC001052041652 763668023 /nfs/dbraw/zinc/66/80/23/763668023.db2.gz OCAXENCXMYDOOK-OAHLLOKOSA-N 1 2 345.447 0.431 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCn4cncc4C3)C2)CC1 ZINC001052042906 763672041 /nfs/dbraw/zinc/67/20/41/763672041.db2.gz KACJDOPBLYHFLP-HZPDHXFCSA-N 1 2 342.447 0.188 20 30 ECEDLO C=CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)S(C)(=O)=O)C2)CC1 ZINC001052043125 763673322 /nfs/dbraw/zinc/67/33/22/763673322.db2.gz PJEZYRMMTFXISQ-LSDHHAIUSA-N 1 2 343.493 0.214 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001212185579 763686482 /nfs/dbraw/zinc/68/64/82/763686482.db2.gz YCGARCINLMNVHF-BZUAXINKSA-N 1 2 337.464 0.766 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001212185579 763686486 /nfs/dbraw/zinc/68/64/86/763686486.db2.gz YCGARCINLMNVHF-BZUAXINKSA-N 1 2 337.464 0.766 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001052046348 763687523 /nfs/dbraw/zinc/68/75/23/763687523.db2.gz ZLGAVEOCRNHEOO-NEPJUHHUSA-N 1 2 335.433 0.420 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001052046327 763687614 /nfs/dbraw/zinc/68/76/14/763687614.db2.gz ZGGTURIVGMRWHB-STQMWFEESA-N 1 2 349.460 0.430 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)CC1 ZINC001052047632 763691560 /nfs/dbraw/zinc/69/15/60/763691560.db2.gz ULGLWPXTZCZASY-MJGOQNOKSA-N 1 2 339.439 0.842 20 30 ECEDLO CCc1cncc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)c1 ZINC001052052371 763715443 /nfs/dbraw/zinc/71/54/43/763715443.db2.gz KWOKEPZVESDOOP-KRWDZBQOSA-N 1 2 327.432 1.000 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3occ4c3CCOC4)C2)CC1 ZINC001052056273 763727576 /nfs/dbraw/zinc/72/75/76/763727576.db2.gz WSJPZCJLYCPYEQ-MRXNPFEDSA-N 1 2 343.427 0.818 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3occ4c3CCOC4)C2)CC1 ZINC001052056273 763727581 /nfs/dbraw/zinc/72/75/81/763727581.db2.gz WSJPZCJLYCPYEQ-MRXNPFEDSA-N 1 2 343.427 0.818 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)CC3)C2)CC1 ZINC001052057909 763733735 /nfs/dbraw/zinc/73/37/35/763733735.db2.gz VATTYWVGRIKCNP-DLBZAZTESA-N 1 2 346.475 0.145 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](O)C2)C1 ZINC000991817884 763742815 /nfs/dbraw/zinc/74/28/15/763742815.db2.gz QEGZMOCDNXJLHT-KGLIPLIRSA-N 1 2 332.404 0.387 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)c3csc(=O)[nH]3)C2)CC1 ZINC001052068077 763760416 /nfs/dbraw/zinc/76/04/16/763760416.db2.gz UXZQZLUTVPEIMQ-CYBMUJFWSA-N 1 2 334.445 0.704 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)c3cncnc3)C2)CC1 ZINC001052071749 763773614 /nfs/dbraw/zinc/77/36/14/763773614.db2.gz YRYLUALYKTWUSK-SJLPKXTDSA-N 1 2 341.459 0.822 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)c3cn(C)c(=O)[nH]3)C2)CC1 ZINC001052077246 763785683 /nfs/dbraw/zinc/78/56/83/763785683.db2.gz PQTQBAMHCMDOTE-CQSZACIVSA-N 1 2 333.436 0.534 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)Oc3cccnc3)C2)CC1 ZINC001052079518 763793710 /nfs/dbraw/zinc/79/37/10/763793710.db2.gz BWIRISIIKQDVOX-IAGOWNOFSA-N 1 2 342.443 0.701 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H]([NH+]3CCN(CCF)CC3)C2)c1 ZINC001052082939 763804879 /nfs/dbraw/zinc/80/48/79/763804879.db2.gz YHFQXVQKSFMIBU-KRWDZBQOSA-N 1 2 330.407 0.865 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc4ncccn4n3)C2)CC1 ZINC001052099590 763858721 /nfs/dbraw/zinc/85/87/21/763858721.db2.gz NSKJMEQMOOIEFS-HNNXBMFYSA-N 1 2 338.415 0.195 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc4ncccn4n3)C2)CC1 ZINC001052099590 763858728 /nfs/dbraw/zinc/85/87/28/763858728.db2.gz NSKJMEQMOOIEFS-HNNXBMFYSA-N 1 2 338.415 0.195 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn(CCOC)c3)C2)CC1 ZINC001052112937 763909475 /nfs/dbraw/zinc/90/94/75/763909475.db2.gz IAFXAVVPJXZODX-QGZVFWFLSA-N 1 2 347.463 0.548 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H]([NH+]2CCN(CCO)CC2)C1 ZINC001052113179 763910754 /nfs/dbraw/zinc/91/07/54/763910754.db2.gz OSVRASFUVAXFOF-LJQANCHMSA-N 1 2 341.455 0.421 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc(OCC)cn3)C2)CC1 ZINC001052125309 763952468 /nfs/dbraw/zinc/95/24/68/763952468.db2.gz OIIGHKFOAWSCQR-HNNXBMFYSA-N 1 2 343.431 0.341 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnc(OCC)cn3)C2)CC1 ZINC001052125309 763952471 /nfs/dbraw/zinc/95/24/71/763952471.db2.gz OIIGHKFOAWSCQR-HNNXBMFYSA-N 1 2 343.431 0.341 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3nn(CC)nc3C)C2)CC1 ZINC001052124562 763953675 /nfs/dbraw/zinc/95/36/75/763953675.db2.gz DNXRCZNUVOHLMU-OAHLLOKOSA-N 1 2 332.452 0.625 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)CCc3cn(C)nn3)C2)CC1 ZINC001052125732 763954383 /nfs/dbraw/zinc/95/43/83/763954383.db2.gz ZGTFNMIJJRDYLK-QGZVFWFLSA-N 1 2 346.479 0.542 20 30 ECEDLO CN(C(=O)C[C@@H]1CCOC1)[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047330661 764023424 /nfs/dbraw/zinc/02/34/24/764023424.db2.gz UHJYVSGTRVIFFQ-WBAXXEDZSA-N 1 2 343.427 0.988 20 30 ECEDLO CN(C(=O)C[C@@H]1CCOC1)[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047330661 764023429 /nfs/dbraw/zinc/02/34/29/764023429.db2.gz UHJYVSGTRVIFFQ-WBAXXEDZSA-N 1 2 343.427 0.988 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cccn3CC)C2)nn1 ZINC001098784730 768190653 /nfs/dbraw/zinc/19/06/53/768190653.db2.gz KNRYUWLMYUIZTQ-OAHLLOKOSA-N 1 2 326.404 0.910 20 30 ECEDLO CN(C(=O)[C@]12C[C@H]1COC2)[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047387984 764184517 /nfs/dbraw/zinc/18/45/17/764184517.db2.gz WEJMDJNUYIPWED-DWRORGKVSA-N 1 2 341.411 0.598 20 30 ECEDLO CN(C(=O)[C@]12C[C@H]1COC2)[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047387984 764184524 /nfs/dbraw/zinc/18/45/24/764184524.db2.gz WEJMDJNUYIPWED-DWRORGKVSA-N 1 2 341.411 0.598 20 30 ECEDLO C#CCOc1ccc(C(=O)NCC2C[NH+](CC(=O)N3CCC3)C2)cc1 ZINC001032033906 764222149 /nfs/dbraw/zinc/22/21/49/764222149.db2.gz MEPVHEILMVDHGV-UHFFFAOYSA-N 1 2 341.411 0.593 20 30 ECEDLO Cn1ncc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)CC2)n1 ZINC001052319863 764243555 /nfs/dbraw/zinc/24/35/55/764243555.db2.gz LFVVEEMZIRRRQB-GFCCVEGCSA-N 1 2 327.392 0.799 20 30 ECEDLO Cn1ncc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)CC2)n1 ZINC001052319863 764243558 /nfs/dbraw/zinc/24/35/58/764243558.db2.gz LFVVEEMZIRRRQB-GFCCVEGCSA-N 1 2 327.392 0.799 20 30 ECEDLO C=CCOc1ccccc1C(=O)N(C)[C@H]1C[N@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001047433321 764331369 /nfs/dbraw/zinc/33/13/69/764331369.db2.gz JICHAHMESLMKEB-SNPRPXQTSA-N 1 2 347.415 0.242 20 30 ECEDLO C=CCOc1ccccc1C(=O)N(C)[C@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@@H]1O ZINC001047433321 764331372 /nfs/dbraw/zinc/33/13/72/764331372.db2.gz JICHAHMESLMKEB-SNPRPXQTSA-N 1 2 347.415 0.242 20 30 ECEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1nc2ncccn2n1 ZINC001032062585 764384946 /nfs/dbraw/zinc/38/49/46/764384946.db2.gz WUTNMIVATQHLOQ-UHFFFAOYSA-N 1 2 346.394 0.838 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2O)cc1 ZINC001047479929 764468626 /nfs/dbraw/zinc/46/86/26/764468626.db2.gz GCIUETQUBYGZLE-IKGGRYGDSA-N 1 2 341.411 0.016 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2O)cc1 ZINC001047479929 764468630 /nfs/dbraw/zinc/46/86/30/764468630.db2.gz GCIUETQUBYGZLE-IKGGRYGDSA-N 1 2 341.411 0.016 20 30 ECEDLO C=C1CCC(C(=O)N(C)[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2O)CC1 ZINC001047512959 764556823 /nfs/dbraw/zinc/55/68/23/764556823.db2.gz ZQANEZDGKQKSKU-KKUMJFAQSA-N 1 2 349.431 0.042 20 30 ECEDLO C=C1CCC(C(=O)N(C)[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2O)CC1 ZINC001047512959 764556827 /nfs/dbraw/zinc/55/68/27/764556827.db2.gz ZQANEZDGKQKSKU-KKUMJFAQSA-N 1 2 349.431 0.042 20 30 ECEDLO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@H+]([C@@H]3CCN(CC)C3=O)C[C@@H]2O)C1 ZINC001047519620 764573902 /nfs/dbraw/zinc/57/39/02/764573902.db2.gz JKBSFDHUNARLOS-ILXRZTDVSA-N 1 2 335.448 0.467 20 30 ECEDLO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@@H+]([C@@H]3CCN(CC)C3=O)C[C@@H]2O)C1 ZINC001047519620 764573904 /nfs/dbraw/zinc/57/39/04/764573904.db2.gz JKBSFDHUNARLOS-ILXRZTDVSA-N 1 2 335.448 0.467 20 30 ECEDLO C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001047532704 764616116 /nfs/dbraw/zinc/61/61/16/764616116.db2.gz LLEKCCNMVVIMKF-UXOAXIEHSA-N 1 2 338.839 0.780 20 30 ECEDLO C=CCOc1cccnc1C(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001032114870 764618757 /nfs/dbraw/zinc/61/87/57/764618757.db2.gz MBWRIWKHYANTBK-UHFFFAOYSA-N 1 2 332.404 0.396 20 30 ECEDLO C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001052547376 764730514 /nfs/dbraw/zinc/73/05/14/764730514.db2.gz FJARTMLHTNHIKD-GOEBONIOSA-N 1 2 342.443 0.977 20 30 ECEDLO CN(C(=O)[C@]1(C)CCOC1)[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047577961 764754242 /nfs/dbraw/zinc/75/42/42/764754242.db2.gz HXPWWPVPSGSCPS-JENIJYKNSA-N 1 2 343.427 0.988 20 30 ECEDLO CN(C(=O)[C@]1(C)CCOC1)[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047577961 764754247 /nfs/dbraw/zinc/75/42/47/764754247.db2.gz HXPWWPVPSGSCPS-JENIJYKNSA-N 1 2 343.427 0.988 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)nc2)C[C@H]1OC ZINC001212194345 764760758 /nfs/dbraw/zinc/76/07/58/764760758.db2.gz QINWNKAVGBMEJA-BFYDXBDKSA-N 1 2 334.420 0.428 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)nc2)C[C@H]1OC ZINC001212194345 764760763 /nfs/dbraw/zinc/76/07/63/764760763.db2.gz QINWNKAVGBMEJA-BFYDXBDKSA-N 1 2 334.420 0.428 20 30 ECEDLO C#CCOCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001052598755 764826941 /nfs/dbraw/zinc/82/69/41/764826941.db2.gz IVMFENFEZHBRCC-CABCVRRESA-N 1 2 346.431 0.593 20 30 ECEDLO C#CCOCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001052598755 764826950 /nfs/dbraw/zinc/82/69/50/764826950.db2.gz IVMFENFEZHBRCC-CABCVRRESA-N 1 2 346.431 0.593 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@H+](Cc3conc3C)C[C@@H]2O)nc1 ZINC001047601584 764843830 /nfs/dbraw/zinc/84/38/30/764843830.db2.gz BHCWTEMKTNOTJM-IRXDYDNUSA-N 1 2 340.383 0.677 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](Cc3conc3C)C[C@@H]2O)nc1 ZINC001047601584 764843831 /nfs/dbraw/zinc/84/38/31/764843831.db2.gz BHCWTEMKTNOTJM-IRXDYDNUSA-N 1 2 340.383 0.677 20 30 ECEDLO C#CCOc1ncccc1C(=O)N(C)[C@H]1C[N@H+](C[C@H](F)CC)C[C@@H]1O ZINC001047602057 764847107 /nfs/dbraw/zinc/84/71/07/764847107.db2.gz XKEOYFHTLIGELF-KBMXLJTQSA-N 1 2 349.406 0.959 20 30 ECEDLO C#CCOc1ncccc1C(=O)N(C)[C@H]1C[N@@H+](C[C@H](F)CC)C[C@@H]1O ZINC001047602057 764847115 /nfs/dbraw/zinc/84/71/15/764847115.db2.gz XKEOYFHTLIGELF-KBMXLJTQSA-N 1 2 349.406 0.959 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)c3ccccc3o2)C1 ZINC001047615877 764890979 /nfs/dbraw/zinc/89/09/79/764890979.db2.gz QMKFOZDIIVIAJQ-HOCLYGCPSA-N 1 2 340.379 0.933 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(=O)c3ccccc3o2)C1 ZINC001047615877 764890992 /nfs/dbraw/zinc/89/09/92/764890992.db2.gz QMKFOZDIIVIAJQ-HOCLYGCPSA-N 1 2 340.379 0.933 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](n3cc(C[NH2+]CCF)nn3)C2)cn1 ZINC001098774122 764934815 /nfs/dbraw/zinc/93/48/15/764934815.db2.gz NPSRXZIUTYDRBE-INIZCTEOSA-N 1 2 342.378 0.801 20 30 ECEDLO Cn1nnc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)n1 ZINC001015552445 764944478 /nfs/dbraw/zinc/94/44/78/764944478.db2.gz DUSBLHMMMGTSRL-LBPRGKRZSA-N 1 2 329.339 0.225 20 30 ECEDLO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)n1 ZINC001015552445 764944484 /nfs/dbraw/zinc/94/44/84/764944484.db2.gz DUSBLHMMMGTSRL-LBPRGKRZSA-N 1 2 329.339 0.225 20 30 ECEDLO CN1CC[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)C1=O ZINC001015565044 764972814 /nfs/dbraw/zinc/97/28/14/764972814.db2.gz XMRZNVGAQYIITI-HUUCEWRRSA-N 1 2 344.390 0.866 20 30 ECEDLO CN1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)C1=O ZINC001015565044 764972821 /nfs/dbraw/zinc/97/28/21/764972821.db2.gz XMRZNVGAQYIITI-HUUCEWRRSA-N 1 2 344.390 0.866 20 30 ECEDLO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001015602988 765039598 /nfs/dbraw/zinc/03/95/98/765039598.db2.gz ZYVXUBKTFMKDMJ-HZPDHXFCSA-N 1 2 326.400 0.870 20 30 ECEDLO CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001015602988 765039608 /nfs/dbraw/zinc/03/96/08/765039608.db2.gz ZYVXUBKTFMKDMJ-HZPDHXFCSA-N 1 2 326.400 0.870 20 30 ECEDLO C[C@@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)CCC(=O)N1 ZINC001015663051 765138402 /nfs/dbraw/zinc/13/84/02/765138402.db2.gz QEBLQFQYYMXWHQ-YJBOKZPZSA-N 1 2 326.400 0.917 20 30 ECEDLO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CCC(=O)N1 ZINC001015663051 765138406 /nfs/dbraw/zinc/13/84/06/765138406.db2.gz QEBLQFQYYMXWHQ-YJBOKZPZSA-N 1 2 326.400 0.917 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCO[C@@H](C)C3)C2)C1 ZINC001015676204 765147283 /nfs/dbraw/zinc/14/72/83/765147283.db2.gz IZJPMHLEMMEYIO-LSDHHAIUSA-N 1 2 335.448 0.781 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCO[C@@H](C)C3)C2)C1 ZINC001015676204 765147289 /nfs/dbraw/zinc/14/72/89/765147289.db2.gz IZJPMHLEMMEYIO-LSDHHAIUSA-N 1 2 335.448 0.781 20 30 ECEDLO CC1(C)CC[C@H](CNC(=O)C2(CF)CC2)[N@H+](CC(=O)NCC#N)C1 ZINC001099224641 768270383 /nfs/dbraw/zinc/27/03/83/768270383.db2.gz GHVCNDJPHFKZJV-CYBMUJFWSA-N 1 2 338.427 0.983 20 30 ECEDLO CC1(C)CC[C@H](CNC(=O)C2(CF)CC2)[N@@H+](CC(=O)NCC#N)C1 ZINC001099224641 768270387 /nfs/dbraw/zinc/27/03/87/768270387.db2.gz GHVCNDJPHFKZJV-CYBMUJFWSA-N 1 2 338.427 0.983 20 30 ECEDLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CNC(=O)CSCC#N ZINC001052865738 765250834 /nfs/dbraw/zinc/25/08/34/765250834.db2.gz BUUXSSTZKOGOFP-QWHCGFSZSA-N 1 2 335.433 0.351 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cnn(C)n3)CC2)cn1 ZINC001052877034 765281566 /nfs/dbraw/zinc/28/15/66/765281566.db2.gz AIOGJWCGHJUXEO-INIZCTEOSA-N 1 2 338.415 0.976 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cnn(C)n3)CC2)cn1 ZINC001052877034 765281570 /nfs/dbraw/zinc/28/15/70/765281570.db2.gz AIOGJWCGHJUXEO-INIZCTEOSA-N 1 2 338.415 0.976 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC001015845570 765432671 /nfs/dbraw/zinc/43/26/71/765432671.db2.gz PBZLCVMYUIENKE-CQSZACIVSA-N 1 2 340.387 0.700 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC001015845570 765432674 /nfs/dbraw/zinc/43/26/74/765432674.db2.gz PBZLCVMYUIENKE-CQSZACIVSA-N 1 2 340.387 0.700 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3ccc(OC)o3)C2)C1=O ZINC001015894997 765508286 /nfs/dbraw/zinc/50/82/86/765508286.db2.gz AISURNKCWDDPIM-OLZOCXBDSA-N 1 2 333.388 0.879 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3ccc(OC)o3)C2)C1=O ZINC001015894997 765508292 /nfs/dbraw/zinc/50/82/92/765508292.db2.gz AISURNKCWDDPIM-OLZOCXBDSA-N 1 2 333.388 0.879 20 30 ECEDLO C#CCCCC(=O)NC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001053035348 765509906 /nfs/dbraw/zinc/50/99/06/765509906.db2.gz VBQPBHUBSMRLHP-HUUCEWRRSA-N 1 2 330.432 0.977 20 30 ECEDLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1CNC(=O)C#CC1CC1 ZINC001053073835 765548055 /nfs/dbraw/zinc/54/80/55/765548055.db2.gz LHGRYFPJDPHOKA-GOEBONIOSA-N 1 2 328.416 0.897 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3coc(COC)n3)C2)C1=O ZINC001015917694 765549918 /nfs/dbraw/zinc/54/99/18/765549918.db2.gz HPEZDQUDTMNHID-TZMCWYRMSA-N 1 2 348.403 0.412 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3coc(COC)n3)C2)C1=O ZINC001015917694 765549920 /nfs/dbraw/zinc/54/99/20/765549920.db2.gz HPEZDQUDTMNHID-TZMCWYRMSA-N 1 2 348.403 0.412 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)Cc2c[nH+]cn2C)cn1 ZINC001077498436 765710044 /nfs/dbraw/zinc/71/00/44/765710044.db2.gz NTCKMKKYSWVLQA-ZDUSSCGKSA-N 1 2 339.399 0.664 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(CC)on3)C2)C1=O ZINC001016015884 765723177 /nfs/dbraw/zinc/72/31/77/765723177.db2.gz CTQXPMAUZPLJJU-IUODEOHRSA-N 1 2 332.404 0.828 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cc(CC)on3)C2)C1=O ZINC001016015884 765723186 /nfs/dbraw/zinc/72/31/86/765723186.db2.gz CTQXPMAUZPLJJU-IUODEOHRSA-N 1 2 332.404 0.828 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCOC2(C[NH+](C[C@H](O)Cc3ccccc3)C2)C1 ZINC001053192186 765740794 /nfs/dbraw/zinc/74/07/94/765740794.db2.gz XPPZVGNFDKZOAT-DOTOQJQBSA-N 1 2 343.427 0.663 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cn3c(n1)COCC3)CCO2 ZINC001053309031 765946072 /nfs/dbraw/zinc/94/60/72/765946072.db2.gz WBMQQLWFEYODPP-UHFFFAOYSA-N 1 2 332.404 0.516 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@]2(NC(=O)C3CCS(=O)(=O)CC3)CCC[C@H]12 ZINC000992260248 766083462 /nfs/dbraw/zinc/08/34/62/766083462.db2.gz MKFFLQZVOYBLIY-RDJZCZTQSA-N 1 2 338.473 0.948 20 30 ECEDLO CC#CC[N@H+]1CC[C@@]2(NC(=O)C3CCS(=O)(=O)CC3)CCC[C@H]12 ZINC000992260248 766083468 /nfs/dbraw/zinc/08/34/68/766083468.db2.gz MKFFLQZVOYBLIY-RDJZCZTQSA-N 1 2 338.473 0.948 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC(=O)N(CCC)C1)CCO2 ZINC001053452445 766158420 /nfs/dbraw/zinc/15/84/20/766158420.db2.gz SZYVUIGEPDHXKM-OAHLLOKOSA-N 1 2 335.448 0.734 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(=O)[nH]c(C)cn2n1 ZINC001017767370 768355006 /nfs/dbraw/zinc/35/50/06/768355006.db2.gz MMIIGQYPMAEARN-OKILXGFUSA-N 1 2 339.399 0.643 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c(=O)[nH]c(C)cn2n1 ZINC001017767370 768355012 /nfs/dbraw/zinc/35/50/12/768355012.db2.gz MMIIGQYPMAEARN-OKILXGFUSA-N 1 2 339.399 0.643 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cccc(C(=O)NC)n1)CCO2 ZINC001053520251 766273215 /nfs/dbraw/zinc/27/32/15/766273215.db2.gz AQQLBANGOCTDST-UHFFFAOYSA-N 1 2 344.415 0.544 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](C1CC1)N1CCOCC1)CCO2 ZINC001053539882 766303848 /nfs/dbraw/zinc/30/38/48/766303848.db2.gz ZXULDFVRWVEPTO-KRWDZBQOSA-N 1 2 349.475 0.587 20 30 ECEDLO CCN(C(=O)C[N@@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C1)C1CC1 ZINC001212248819 766358071 /nfs/dbraw/zinc/35/80/71/766358071.db2.gz OSOQGMRFCNLUJP-HZPDHXFCSA-N 1 2 349.475 0.862 20 30 ECEDLO CCN(C(=O)C[N@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C1)C1CC1 ZINC001212248819 766358076 /nfs/dbraw/zinc/35/80/76/766358076.db2.gz OSOQGMRFCNLUJP-HZPDHXFCSA-N 1 2 349.475 0.862 20 30 ECEDLO C#Cc1cncc(C(=O)NCC2CC(NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC000992380600 766436178 /nfs/dbraw/zinc/43/61/78/766436178.db2.gz GDAUNLTUICXMDN-UHFFFAOYSA-N 1 2 337.383 0.584 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCC3N=NC(=O)N3C1)O2 ZINC001053619587 766450516 /nfs/dbraw/zinc/45/05/16/766450516.db2.gz SWTOGJNWFOBLHU-OLZOCXBDSA-N 1 2 347.419 0.082 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc3[nH]c(=O)[nH]c3n1)O2 ZINC001053651605 766514385 /nfs/dbraw/zinc/51/43/85/766514385.db2.gz HNVCGUFVGMTILF-NSHDSACASA-N 1 2 343.387 0.813 20 30 ECEDLO CO[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212254313 766532187 /nfs/dbraw/zinc/53/21/87/766532187.db2.gz TUGFFPFMRZMDNU-HZPDHXFCSA-N 1 2 349.475 0.864 20 30 ECEDLO CO[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212254313 766532192 /nfs/dbraw/zinc/53/21/92/766532192.db2.gz TUGFFPFMRZMDNU-HZPDHXFCSA-N 1 2 349.475 0.864 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCC(=O)N1C)O2 ZINC001053693641 766602585 /nfs/dbraw/zinc/60/25/85/766602585.db2.gz HJRXOFYUFXKCLR-GJZGRUSLSA-N 1 2 335.448 0.923 20 30 ECEDLO Cc1nc(NC[C@H](O)CNC(=O)C[C@@H](C)n2cc[nH+]c2)ccc1C#N ZINC001106132187 766610226 /nfs/dbraw/zinc/61/02/26/766610226.db2.gz VHILGLXSFLJNSF-DOMZBBRYSA-N 1 2 342.403 0.999 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccnc2OC)C[C@H]1OC ZINC001212258611 766610395 /nfs/dbraw/zinc/61/03/95/766610395.db2.gz XBWZXJPFQYLYLZ-FVQBIDKESA-N 1 2 347.415 0.444 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccnc2OC)C[C@H]1OC ZINC001212258611 766610399 /nfs/dbraw/zinc/61/03/99/766610399.db2.gz XBWZXJPFQYLYLZ-FVQBIDKESA-N 1 2 347.415 0.444 20 30 ECEDLO C[C@@H](CC(=O)NC[C@@H](O)CNc1nccnc1C#N)n1cc[nH+]c1 ZINC001106132308 766615371 /nfs/dbraw/zinc/61/53/71/766615371.db2.gz YATDCYBODHTBGX-NWDGAFQWSA-N 1 2 329.364 0.085 20 30 ECEDLO C=CCN1CC[C@@H](N2CC(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1=O ZINC001030936272 766616525 /nfs/dbraw/zinc/61/65/25/766616525.db2.gz PTNYTHUBISJHSW-DZGCQCFKSA-N 1 2 343.431 0.417 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)O2 ZINC001053704037 766627783 /nfs/dbraw/zinc/62/77/83/766627783.db2.gz VANMWSFAPUYSQT-AWEZNQCLSA-N 1 2 344.415 0.720 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@@H]2CCN(Cc3cnsn3)C2)CC1 ZINC001046012264 766638482 /nfs/dbraw/zinc/63/84/82/766638482.db2.gz MPTCRLQAYOBNHT-TZMCWYRMSA-N 1 2 334.449 0.416 20 30 ECEDLO Cc1nnc(C[N@H+]2CC[C@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)s1 ZINC001046013366 766642704 /nfs/dbraw/zinc/64/27/04/766642704.db2.gz XJVUWBFIDKEXOP-JSGCOSHPSA-N 1 2 348.476 0.725 20 30 ECEDLO Cc1nnc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)s1 ZINC001046013366 766642708 /nfs/dbraw/zinc/64/27/08/766642708.db2.gz XJVUWBFIDKEXOP-JSGCOSHPSA-N 1 2 348.476 0.725 20 30 ECEDLO Cn1ccc(CCC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)n1 ZINC001046033793 766711459 /nfs/dbraw/zinc/71/14/59/766711459.db2.gz LJORPUPRXNGUSA-INIZCTEOSA-N 1 2 330.436 0.095 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cccn4nccc34)CC2)C1 ZINC001046040579 766748121 /nfs/dbraw/zinc/74/81/21/766748121.db2.gz FGEWFUDRTZHBGP-OAHLLOKOSA-N 1 2 338.415 0.690 20 30 ECEDLO COc1ccc(CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)nc1 ZINC001046055896 766807879 /nfs/dbraw/zinc/80/78/79/766807879.db2.gz KBYDGCYAJZQHLH-MRXNPFEDSA-N 1 2 343.431 0.375 20 30 ECEDLO Cc1cc(CCC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)no1 ZINC001046061566 766829502 /nfs/dbraw/zinc/82/95/02/766829502.db2.gz NLMVPJZGYPMOHW-MRXNPFEDSA-N 1 2 331.420 0.658 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)CC[C@H]3CCCOC3)CC2)C1 ZINC001046074735 766890759 /nfs/dbraw/zinc/89/07/59/766890759.db2.gz FZZHGAMEULJZSH-SJORKVTESA-N 1 2 334.464 0.935 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccnc3ccnn31)CO2 ZINC001053828632 766959173 /nfs/dbraw/zinc/95/91/73/766959173.db2.gz WWWOVTXAPIOWRW-ZDUSSCGKSA-N 1 2 327.388 0.879 20 30 ECEDLO CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001089667739 766965309 /nfs/dbraw/zinc/96/53/09/766965309.db2.gz MGRQWONSZNEAEU-GFCCVEGCSA-N 1 2 327.392 0.655 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ncc(C)cc1OC)CO2 ZINC001053832083 766968202 /nfs/dbraw/zinc/96/82/02/766968202.db2.gz ZDGWJODKCKYHKA-AWEZNQCLSA-N 1 2 329.400 0.995 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3cnccc3C)C[C@@H]2O)c1 ZINC001083765167 766994328 /nfs/dbraw/zinc/99/43/28/766994328.db2.gz QPPRHUFFPBNLDG-MSOLQXFVSA-N 1 2 336.395 0.741 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3cnccc3C)C[C@@H]2O)c1 ZINC001083765167 766994337 /nfs/dbraw/zinc/99/43/37/766994337.db2.gz QPPRHUFFPBNLDG-MSOLQXFVSA-N 1 2 336.395 0.741 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nc(OC)cc(OC)n1)CO2 ZINC001053846441 767003281 /nfs/dbraw/zinc/00/32/81/767003281.db2.gz FPSTXTJFPJJCIN-GFCCVEGCSA-N 1 2 346.387 0.090 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCn3nccc31)CO2 ZINC001053851206 767019063 /nfs/dbraw/zinc/01/90/63/767019063.db2.gz NMRPDCKGVPJLJN-LSDHHAIUSA-N 1 2 328.416 0.743 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCn3nccc31)CO2 ZINC001053851205 767019188 /nfs/dbraw/zinc/01/91/88/767019188.db2.gz NMRPDCKGVPJLJN-HUUCEWRRSA-N 1 2 328.416 0.743 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1cc(C3CC3)cn1)CO2 ZINC001053851327 767020181 /nfs/dbraw/zinc/02/01/81/767020181.db2.gz QCOHAVLRKIVNEU-MRXNPFEDSA-N 1 2 328.416 0.743 20 30 ECEDLO CC#CCN1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3[nH+]ccn3C1)CO2 ZINC001053852213 767021581 /nfs/dbraw/zinc/02/15/81/767021581.db2.gz ILMQEMXFFRHFFE-GJZGRUSLSA-N 1 2 328.416 0.428 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3c(n1)OCCO3)CO2 ZINC001053857944 767044880 /nfs/dbraw/zinc/04/48/80/767044880.db2.gz SJUXXPZKDMBFKX-CYBMUJFWSA-N 1 2 343.383 0.449 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001046196957 767046824 /nfs/dbraw/zinc/04/68/24/767046824.db2.gz HQSNXCDTTAGYTE-ZWNOBZJWSA-N 1 2 330.226 0.754 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001046196957 767046831 /nfs/dbraw/zinc/04/68/31/767046831.db2.gz HQSNXCDTTAGYTE-ZWNOBZJWSA-N 1 2 330.226 0.754 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(CC)[nH]c(=O)c1)CO2 ZINC001053872892 767096571 /nfs/dbraw/zinc/09/65/71/767096571.db2.gz LDJVLAHQBZTFKK-OAHLLOKOSA-N 1 2 329.400 0.946 20 30 ECEDLO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001046307727 767138614 /nfs/dbraw/zinc/13/86/14/767138614.db2.gz XMFVQGGJPUKNRY-UHFFFAOYSA-N 1 2 332.404 0.008 20 30 ECEDLO C=CCOc1ccc(C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)cc1 ZINC001031778613 767192480 /nfs/dbraw/zinc/19/24/80/767192480.db2.gz RCVIDBSPLLQLSW-MRXNPFEDSA-N 1 2 329.400 0.802 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2cccc3n[nH]nc32)[C@H](OC)C1 ZINC001212309630 767200400 /nfs/dbraw/zinc/20/04/00/767200400.db2.gz YTUWTFYTCVJWNF-HUUCEWRRSA-N 1 2 343.387 0.037 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2cccc3n[nH]nc32)[C@H](OC)C1 ZINC001212309630 767200402 /nfs/dbraw/zinc/20/04/02/767200402.db2.gz YTUWTFYTCVJWNF-HUUCEWRRSA-N 1 2 343.387 0.037 20 30 ECEDLO COc1ccc(CN2CC(NC(=O)Cc3c[nH]c[nH+]3)C2)cc1C#N ZINC001031017376 767217088 /nfs/dbraw/zinc/21/70/88/767217088.db2.gz YYSLWBNARCJFOG-UHFFFAOYSA-N 1 2 325.372 0.833 20 30 ECEDLO Cn1nnc(C[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C#CC2CC2)n1 ZINC001089807076 767234545 /nfs/dbraw/zinc/23/45/45/767234545.db2.gz WTYNFBBRHTVCCA-FZKCQIBNSA-N 1 2 340.431 0.292 20 30 ECEDLO Cn1nnc(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C#CC2CC2)n1 ZINC001089807076 767234547 /nfs/dbraw/zinc/23/45/47/767234547.db2.gz WTYNFBBRHTVCCA-FZKCQIBNSA-N 1 2 340.431 0.292 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCc3nn(C)cc31)CO2 ZINC001053907439 767324398 /nfs/dbraw/zinc/32/43/98/767324398.db2.gz WMWIGNASEZOWOC-GJZGRUSLSA-N 1 2 342.443 0.823 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC(=O)N(CCC)C1)CO2 ZINC001053940587 767409186 /nfs/dbraw/zinc/40/91/86/767409186.db2.gz HWEHHJXXPNJAGO-CABCVRRESA-N 1 2 333.432 0.228 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1nn(C)c(C)c1Cl)CO2 ZINC001053943762 767416076 /nfs/dbraw/zinc/41/60/76/767416076.db2.gz LGAYNCOYLNPJMX-LBPRGKRZSA-N 1 2 336.823 0.978 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@@H]2COC3(C[NH+](CCCO)C3)C2)cc1 ZINC001053945996 767423261 /nfs/dbraw/zinc/42/32/61/767423261.db2.gz LDTWQFJXNQDYGW-INIZCTEOSA-N 1 2 344.411 0.654 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(=O)N1CCC(C)CC1)CO2 ZINC001053948642 767430692 /nfs/dbraw/zinc/43/06/92/767430692.db2.gz POWFSYXQLRCJHJ-OAHLLOKOSA-N 1 2 333.432 0.228 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1nc3ncccn3n1)CO2 ZINC001053960324 767459078 /nfs/dbraw/zinc/45/90/78/767459078.db2.gz WEOSGAMNSOPKPR-LBPRGKRZSA-N 1 2 328.376 0.274 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc3ncccn3n1)CO2 ZINC001053963182 767469981 /nfs/dbraw/zinc/46/99/81/767469981.db2.gz JFFMGPDEWYSRPL-ZDUSSCGKSA-N 1 2 325.372 0.326 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCN(C(=O)CC)C1)CO2 ZINC001053975303 767504342 /nfs/dbraw/zinc/50/43/42/767504342.db2.gz FIICFMVQHZQURQ-CABCVRRESA-N 1 2 335.448 0.781 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C(=O)NC)nc1)CO2 ZINC001053985775 767535506 /nfs/dbraw/zinc/53/55/06/767535506.db2.gz ZCSDRWLAFIBFNI-CQSZACIVSA-N 1 2 344.415 0.590 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CCCCC(=O)N1)CO2 ZINC001053993196 767547526 /nfs/dbraw/zinc/54/75/26/767547526.db2.gz HMHHKDQURNEACU-CABCVRRESA-N 1 2 335.448 0.971 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CCCCC(=O)N1)CO2 ZINC001053993559 767548196 /nfs/dbraw/zinc/54/81/96/767548196.db2.gz OOHHZBFTIZLIKT-LSDHHAIUSA-N 1 2 333.432 0.418 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C(C)C)CO2 ZINC001054011304 767593975 /nfs/dbraw/zinc/59/39/75/767593975.db2.gz HQBKFVSBLYFUJC-CVEARBPZSA-N 1 2 347.459 0.616 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCN1C(=O)C(C)C)CO2 ZINC001054011306 767594242 /nfs/dbraw/zinc/59/42/42/767594242.db2.gz HQBKFVSBLYFUJC-HZPDHXFCSA-N 1 2 347.459 0.616 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3nnc(C)n3C1)CO2 ZINC001054014466 767600845 /nfs/dbraw/zinc/60/08/45/767600845.db2.gz BHYOWBIKJDEMQJ-CABCVRRESA-N 1 2 345.447 0.685 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C(N)=O)cs1)CO2 ZINC001054017832 767609369 /nfs/dbraw/zinc/60/93/69/767609369.db2.gz NEGOOOUODXICTL-GFCCVEGCSA-N 1 2 335.429 0.996 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1COCCN1C ZINC001054038234 767637331 /nfs/dbraw/zinc/63/73/31/767637331.db2.gz XQEDPXXNHXMLAH-ZWKOTPCHSA-N 1 2 327.428 0.493 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1COCCN1C ZINC001054038234 767637338 /nfs/dbraw/zinc/63/73/38/767637338.db2.gz XQEDPXXNHXMLAH-ZWKOTPCHSA-N 1 2 327.428 0.493 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc(=O)n(C)n1 ZINC001054059438 767657356 /nfs/dbraw/zinc/65/73/56/767657356.db2.gz PDOWMWDPLRQSSR-MRXNPFEDSA-N 1 2 336.395 0.570 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc(=O)n(C)n1 ZINC001054059438 767657362 /nfs/dbraw/zinc/65/73/62/767657362.db2.gz PDOWMWDPLRQSSR-MRXNPFEDSA-N 1 2 336.395 0.570 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(C(N)=O)ccn1 ZINC001054060580 767658521 /nfs/dbraw/zinc/65/85/21/767658521.db2.gz BOJOUWMUKCNAQP-KRWDZBQOSA-N 1 2 348.406 0.970 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(C(N)=O)ccn1 ZINC001054060580 767658524 /nfs/dbraw/zinc/65/85/24/767658524.db2.gz BOJOUWMUKCNAQP-KRWDZBQOSA-N 1 2 348.406 0.970 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F ZINC001106185019 767773554 /nfs/dbraw/zinc/77/35/54/767773554.db2.gz VDYJGIMEXAGZKG-GFCCVEGCSA-N 1 2 346.366 0.348 20 30 ECEDLO C#CCC[NH+]1CC(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 ZINC001031086475 767847800 /nfs/dbraw/zinc/84/78/00/767847800.db2.gz SSAVAGRQOULDPF-DOTOQJQBSA-N 1 2 326.400 0.425 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 ZINC001017939378 768528375 /nfs/dbraw/zinc/52/83/75/768528375.db2.gz NKEKXZFXKFLYGJ-TWMKSMIVSA-N 1 2 345.443 0.465 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 ZINC001017939378 768528378 /nfs/dbraw/zinc/52/83/78/768528378.db2.gz NKEKXZFXKFLYGJ-TWMKSMIVSA-N 1 2 345.443 0.465 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1 ZINC001055075484 768557686 /nfs/dbraw/zinc/55/76/86/768557686.db2.gz ULJKTLDMWIZWIW-SNPRPXQTSA-N 1 2 337.387 0.848 20 30 ECEDLO C=CCOCC(=O)N1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001055251409 768710676 /nfs/dbraw/zinc/71/06/76/768710676.db2.gz AQTAEFNGBQPPQZ-GASCZTMLSA-N 1 2 332.404 0.393 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2ncc[nH]2)C1=O ZINC001018102578 768729935 /nfs/dbraw/zinc/72/99/35/768729935.db2.gz NKFHWOMFRGSCMQ-ZNMIVQPWSA-N 1 2 343.431 0.414 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2ncc[nH]2)C1=O ZINC001018102578 768729937 /nfs/dbraw/zinc/72/99/37/768729937.db2.gz NKFHWOMFRGSCMQ-ZNMIVQPWSA-N 1 2 343.431 0.414 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1CC[C@@H](n2cc(C[NH2+]CC#CC)nn2)C1 ZINC001098790473 768768995 /nfs/dbraw/zinc/76/89/95/768768995.db2.gz VCNAQZMUMMQPCG-GOEBONIOSA-N 1 2 331.420 0.756 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001055340438 768797344 /nfs/dbraw/zinc/79/73/44/768797344.db2.gz QQEHOZXHDJGRBC-SOUVJXGZSA-N 1 2 344.415 0.297 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001055340438 768797347 /nfs/dbraw/zinc/79/73/47/768797347.db2.gz QQEHOZXHDJGRBC-SOUVJXGZSA-N 1 2 344.415 0.297 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001055340748 768798215 /nfs/dbraw/zinc/79/82/15/768798215.db2.gz WAURNOJFPRFPNW-HRCADAONSA-N 1 2 344.415 0.228 20 30 ECEDLO N#Cc1cnccc1N[C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]12 ZINC001060557657 768806417 /nfs/dbraw/zinc/80/64/17/768806417.db2.gz OQLGFWZUOKQXLS-SRCQZFHVSA-N 1 2 336.399 0.990 20 30 ECEDLO C#CCC1(C(=O)N2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)CCC1 ZINC001055365416 768815726 /nfs/dbraw/zinc/81/57/26/768815726.db2.gz NQEFPMBOVGHUCN-IYBDPMFKSA-N 1 2 340.427 0.994 20 30 ECEDLO C=CCCOCC(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001055379886 768837842 /nfs/dbraw/zinc/83/78/42/768837842.db2.gz YCLPBLFMIOENIV-OKILXGFUSA-N 1 2 332.404 0.462 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3cc(C)n[nH]3)C2)CC1 ZINC001018359850 769190634 /nfs/dbraw/zinc/19/06/34/769190634.db2.gz MFGMXIOXKZREQC-HNNXBMFYSA-N 1 2 345.447 0.901 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3cc(C)[nH]n3)C2)CC1 ZINC001018359850 769190639 /nfs/dbraw/zinc/19/06/39/769190639.db2.gz MFGMXIOXKZREQC-HNNXBMFYSA-N 1 2 345.447 0.901 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)C3=CCOCC3)C2)CC1 ZINC001018364121 769204268 /nfs/dbraw/zinc/20/42/68/769204268.db2.gz QQFCTIIHYVXZDG-QGZVFWFLSA-N 1 2 347.459 0.902 20 30 ECEDLO C[C@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001018364378 769205985 /nfs/dbraw/zinc/20/59/85/769205985.db2.gz RRNAIRWZJBBJJJ-WCQYABFASA-N 1 2 340.387 0.961 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3cn(C)cn3)C2)CC1 ZINC001018368159 769219298 /nfs/dbraw/zinc/21/92/98/769219298.db2.gz XQWYYXUPUVUQFC-HNNXBMFYSA-N 1 2 345.447 0.603 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC000993572376 769270456 /nfs/dbraw/zinc/27/04/56/769270456.db2.gz VGHBPHMQCXHIEQ-QMTHXVAHSA-N 1 2 330.392 0.277 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC000993572376 769270463 /nfs/dbraw/zinc/27/04/63/769270463.db2.gz VGHBPHMQCXHIEQ-QMTHXVAHSA-N 1 2 330.392 0.277 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C2CCC2)C1 ZINC000993629230 769441931 /nfs/dbraw/zinc/44/19/31/769441931.db2.gz BFGAADCBHRWBOG-IACUBPJLSA-N 1 2 329.404 0.790 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2nnn(C)n2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993684610 769477466 /nfs/dbraw/zinc/47/74/66/769477466.db2.gz CTINXUAXQSGMTE-IUODEOHRSA-N 1 2 339.403 0.865 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2nnn(C)n2)CCC[N@H+]1Cc1ccccc1C#N ZINC000993684610 769477471 /nfs/dbraw/zinc/47/74/71/769477471.db2.gz CTINXUAXQSGMTE-IUODEOHRSA-N 1 2 339.403 0.865 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H](NC(=O)C(N)=O)[C@H]1C ZINC000993751975 769554360 /nfs/dbraw/zinc/55/43/60/769554360.db2.gz SXULBDFAFIKZIL-RISCZKNCSA-N 1 2 330.388 0.521 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](NC(=O)C(N)=O)[C@H]1C ZINC000993751975 769554368 /nfs/dbraw/zinc/55/43/68/769554368.db2.gz SXULBDFAFIKZIL-RISCZKNCSA-N 1 2 330.388 0.521 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)[C@@H]1C ZINC000993751977 769554576 /nfs/dbraw/zinc/55/45/76/769554576.db2.gz SXULBDFAFIKZIL-SMDDNHRTSA-N 1 2 330.388 0.521 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](NC(=O)C(N)=O)[C@@H]1C ZINC000993751977 769554581 /nfs/dbraw/zinc/55/45/81/769554581.db2.gz SXULBDFAFIKZIL-SMDDNHRTSA-N 1 2 330.388 0.521 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001078357955 782765898 /nfs/dbraw/zinc/76/58/98/782765898.db2.gz FQSKKWIBCWZGOO-WCQYABFASA-N 1 2 333.392 0.814 20 30 ECEDLO C[N@@H+]1CCc2ncnc(N3CCN(C(=O)C#CC4CC4)CC3)c2C1 ZINC001055795476 769744903 /nfs/dbraw/zinc/74/49/03/769744903.db2.gz XXBKEOCLRAZIDI-UHFFFAOYSA-N 1 2 325.416 0.527 20 30 ECEDLO C[N@H+]1CCc2ncnc(N3CCN(C(=O)C#CC4CC4)CC3)c2C1 ZINC001055795476 769744914 /nfs/dbraw/zinc/74/49/14/769744914.db2.gz XXBKEOCLRAZIDI-UHFFFAOYSA-N 1 2 325.416 0.527 20 30 ECEDLO COCCc1noc(C[NH2+][C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001018682220 769754910 /nfs/dbraw/zinc/75/49/10/769754910.db2.gz MVYVGCXDQFQXLK-LBPRGKRZSA-N 1 2 344.375 0.463 20 30 ECEDLO COCCc1noc(C[NH2+][C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001018737979 769829824 /nfs/dbraw/zinc/82/98/24/769829824.db2.gz MAUGGSHSHJDFFX-LBPRGKRZSA-N 1 2 344.375 0.463 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](CC(=O)NC3CC3)[C@H]2C)nn1 ZINC000993948297 769928576 /nfs/dbraw/zinc/92/85/76/769928576.db2.gz IDGWYWSXFFARJR-JSGCOSHPSA-N 1 2 346.435 0.325 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NC3CC3)[C@H]2C)nn1 ZINC000993948297 769928584 /nfs/dbraw/zinc/92/85/84/769928584.db2.gz IDGWYWSXFFARJR-JSGCOSHPSA-N 1 2 346.435 0.325 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H]1C ZINC000993970062 769985555 /nfs/dbraw/zinc/98/55/55/769985555.db2.gz GSLPJCPCULNGER-ZYHUDNBSSA-N 1 2 327.812 0.761 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H]1C ZINC000993970062 769985560 /nfs/dbraw/zinc/98/55/60/769985560.db2.gz GSLPJCPCULNGER-ZYHUDNBSSA-N 1 2 327.812 0.761 20 30 ECEDLO C#CCC[N@H+]1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H]1C ZINC000994005891 769994732 /nfs/dbraw/zinc/99/47/32/769994732.db2.gz IKLRBASNIZHCGX-OCCSQVGLSA-N 1 2 342.403 0.064 20 30 ECEDLO C#CCC[N@@H+]1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H]1C ZINC000994005891 769994737 /nfs/dbraw/zinc/99/47/37/769994737.db2.gz IKLRBASNIZHCGX-OCCSQVGLSA-N 1 2 342.403 0.064 20 30 ECEDLO C#CCCCCC(=O)N[C@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001055894884 770125053 /nfs/dbraw/zinc/12/50/53/770125053.db2.gz LFVLNPDZFVSMCS-GOSISDBHSA-N 1 2 346.431 0.616 20 30 ECEDLO C#CCCCCC(=O)N[C@@]1(CO)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001055895565 770126203 /nfs/dbraw/zinc/12/62/03/770126203.db2.gz WIETUMGVORMOML-SFHVURJKSA-N 1 2 346.431 0.616 20 30 ECEDLO C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001055915220 770204409 /nfs/dbraw/zinc/20/44/09/770204409.db2.gz VDNCPHNBXFBUGP-QGZVFWFLSA-N 1 2 334.420 0.778 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCCO[C@@H](C[NH2+]Cc3csnn3)C2)[nH]1 ZINC001078382730 782816711 /nfs/dbraw/zinc/81/67/11/782816711.db2.gz KHSKWVIDYYVJDC-ZDUSSCGKSA-N 1 2 346.416 0.759 20 30 ECEDLO C=CCn1cccc1C(=O)NC1CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000994190454 770279459 /nfs/dbraw/zinc/27/94/59/770279459.db2.gz ARZMITAEQQTVBT-UHFFFAOYSA-N 1 2 327.388 0.889 20 30 ECEDLO N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)nn1 ZINC001055940313 770298890 /nfs/dbraw/zinc/29/88/90/770298890.db2.gz IARKCNAOXHSVCI-CYBMUJFWSA-N 1 2 337.387 0.456 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC)[C@H]1C ZINC000994245148 770403473 /nfs/dbraw/zinc/40/34/73/770403473.db2.gz WWQLXEBNSMFRLY-DZGCQCFKSA-N 1 2 344.415 0.422 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC)[C@H]1C ZINC000994245148 770403484 /nfs/dbraw/zinc/40/34/84/770403484.db2.gz WWQLXEBNSMFRLY-DZGCQCFKSA-N 1 2 344.415 0.422 20 30 ECEDLO C=C(C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001055972259 770406334 /nfs/dbraw/zinc/40/63/34/770406334.db2.gz ACDMREOUQWBZBG-KRWDZBQOSA-N 1 2 334.420 0.778 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H]1C ZINC000994300061 770597322 /nfs/dbraw/zinc/59/73/22/770597322.db2.gz ZAIDDUYTEXKYGS-YPMHNXCESA-N 1 2 341.843 0.612 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H]1C ZINC000994300061 770597325 /nfs/dbraw/zinc/59/73/25/770597325.db2.gz ZAIDDUYTEXKYGS-YPMHNXCESA-N 1 2 341.843 0.612 20 30 ECEDLO C[C@@H](CC(=O)N1CCN(c2ccnc(C#N)n2)CC1)n1cc[nH+]c1 ZINC001056039445 770647402 /nfs/dbraw/zinc/64/74/02/770647402.db2.gz UXNFQWVRMPLAKX-ZDUSSCGKSA-N 1 2 325.376 0.845 20 30 ECEDLO C=CCCC(=O)N1CCC[C@](CO)(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001056043626 770654581 /nfs/dbraw/zinc/65/45/81/770654581.db2.gz JHBAHGBMDVFFHA-SFHVURJKSA-N 1 2 348.447 0.789 20 30 ECEDLO N#CCSCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC001056246009 771034138 /nfs/dbraw/zinc/03/41/38/771034138.db2.gz DAHKIMAVOCFADF-KGLIPLIRSA-N 1 2 347.444 0.732 20 30 ECEDLO N#Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCc3[nH+]ccn3C2)cn1 ZINC001056329796 771135383 /nfs/dbraw/zinc/13/53/83/771135383.db2.gz CEYGSBIBBBSJIA-BWUSGFMJSA-N 1 2 348.410 0.963 20 30 ECEDLO N#Cc1cnc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cn1 ZINC001056333176 771138923 /nfs/dbraw/zinc/13/89/23/771138923.db2.gz GWMPMALNCHBVDD-LCSDZXHASA-N 1 2 349.398 0.358 20 30 ECEDLO N#Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCn3cc[nH+]c3C2)cn1 ZINC001056333488 771139650 /nfs/dbraw/zinc/13/96/50/771139650.db2.gz LORCBISMDCAPJK-BWUSGFMJSA-N 1 2 348.410 0.963 20 30 ECEDLO N#Cc1cnccc1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001056335830 771142810 /nfs/dbraw/zinc/14/28/10/771142810.db2.gz LULLHZBHLRNEDO-ANRZDRKOSA-N 1 2 348.410 0.963 20 30 ECEDLO N#Cc1nccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCc3c[nH+]cn3C2)n1 ZINC001056336607 771143866 /nfs/dbraw/zinc/14/38/66/771143866.db2.gz SFIJCKZBDRXIND-HVOFVXBASA-N 1 2 349.398 0.358 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056380717 771204284 /nfs/dbraw/zinc/20/42/84/771204284.db2.gz RTFQTESBXXJGLZ-MPGHIAIKSA-N 1 2 346.431 0.871 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001019366476 771211559 /nfs/dbraw/zinc/21/15/59/771211559.db2.gz FHUCFWBTZAFRGC-CHWSQXEVSA-N 1 2 329.404 0.809 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001019366476 771211561 /nfs/dbraw/zinc/21/15/61/771211561.db2.gz FHUCFWBTZAFRGC-CHWSQXEVSA-N 1 2 329.404 0.809 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]([NH2+][C@H](C)c3nc(C)no3)C2)nn1 ZINC001019482538 771346065 /nfs/dbraw/zinc/34/60/65/771346065.db2.gz YYPVUBGDXFNTRS-PWSUYJOCSA-N 1 2 331.380 0.721 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nnc(CC)o3)C2)nn1 ZINC001019493477 771358200 /nfs/dbraw/zinc/35/82/00/771358200.db2.gz AJAQDCDAIWPTPR-LBPRGKRZSA-N 1 2 345.407 0.804 20 30 ECEDLO C[C@@H](C#N)C(=O)NC[C@H]1CN(c2[nH+]cnc3c2cnn3C)CCCO1 ZINC001089529423 771407668 /nfs/dbraw/zinc/40/76/68/771407668.db2.gz JPSGPAZZCNIVFG-RYUDHWBXSA-N 1 2 343.391 0.234 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCNC(=O)C3)C2)c(F)c1 ZINC001031613119 771452823 /nfs/dbraw/zinc/45/28/23/771452823.db2.gz KNDJNPHITCEDTN-CQSZACIVSA-N 1 2 344.390 0.772 20 30 ECEDLO C[C@@H]1CCCN(C(=O)C[NH+]2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001031620268 771473590 /nfs/dbraw/zinc/47/35/90/771473590.db2.gz FVHIKBDUQNESNE-CYBMUJFWSA-N 1 2 343.431 0.806 20 30 ECEDLO N#Cc1cncc(N2CCCO[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001089558417 771482329 /nfs/dbraw/zinc/48/23/29/771482329.db2.gz OJKZVPACLOHYCM-AWEZNQCLSA-N 1 2 341.375 0.026 20 30 ECEDLO N#Cc1nccnc1N1CCCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001089558703 771483827 /nfs/dbraw/zinc/48/38/27/771483827.db2.gz ULHCOFBAXNUOMF-CYBMUJFWSA-N 1 2 341.375 0.026 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031622257 771486614 /nfs/dbraw/zinc/48/66/14/771486614.db2.gz XQTQUUITOOAVLI-QGZVFWFLSA-N 1 2 346.406 0.576 20 30 ECEDLO N#CCSCC(=O)N1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001056682985 771510432 /nfs/dbraw/zinc/51/04/32/771510432.db2.gz WMUSEQALRBCHQI-UONOGXRCSA-N 1 2 347.444 0.589 20 30 ECEDLO N#Cc1cncc(N[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)n1 ZINC001056725835 771560810 /nfs/dbraw/zinc/56/08/10/771560810.db2.gz GYXWLYBDQLILLG-CHWSQXEVSA-N 1 2 337.387 0.820 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H](n2cc(C[NH2+][C@@H]3CCNC3=O)nn2)C1 ZINC001089585617 771589472 /nfs/dbraw/zinc/58/94/72/771589472.db2.gz APJYYDNBKXMXIV-UONOGXRCSA-N 1 2 346.435 0.242 20 30 ECEDLO CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001056907035 771791590 /nfs/dbraw/zinc/79/15/90/771791590.db2.gz WOUKUEAEPSGJJM-GFCCVEGCSA-N 1 2 325.376 0.741 20 30 ECEDLO CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001056941626 771839153 /nfs/dbraw/zinc/83/91/53/771839153.db2.gz DTCYBFMHAFZDGD-CYBMUJFWSA-N 1 2 325.376 0.362 20 30 ECEDLO CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001056997662 771924615 /nfs/dbraw/zinc/92/46/15/771924615.db2.gz HELQNSXDSHSVQZ-ZDUSSCGKSA-N 1 2 325.376 0.672 20 30 ECEDLO COCCc1nc(C[NH2+][C@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)no1 ZINC001020091481 772148628 /nfs/dbraw/zinc/14/86/28/772148628.db2.gz WCWHAIBEYSGVNE-HAQNSBGRSA-N 1 2 344.375 0.509 20 30 ECEDLO Cc1cc(C#N)nc(N2CCCN(C(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC001057167900 772208226 /nfs/dbraw/zinc/20/82/26/772208226.db2.gz GCIPUZBATYXGSP-UHFFFAOYSA-N 1 2 325.376 0.661 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC(Nc2ccnc(C#N)n2)CC1 ZINC001057347947 772497846 /nfs/dbraw/zinc/49/78/46/772497846.db2.gz CLEWVTBMLCDHNT-UHFFFAOYSA-N 1 2 325.376 0.149 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CCC(Nc2ccnc(C#N)n2)CC1 ZINC001057354847 772509214 /nfs/dbraw/zinc/50/92/14/772509214.db2.gz PDOTYVASTRMXFB-UHFFFAOYSA-N 1 2 339.403 0.539 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H](Nc2cnc(C#N)cn2)C1 ZINC001057671786 772898551 /nfs/dbraw/zinc/89/85/51/772898551.db2.gz WNIXGEQHWABPEA-GFCCVEGCSA-N 1 2 325.376 0.727 20 30 ECEDLO C=CCC(CC=C)C(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1 ZINC001057996235 773349924 /nfs/dbraw/zinc/34/99/24/773349924.db2.gz CAOZBXDDQVYWDJ-UHFFFAOYSA-N 1 2 334.420 0.589 20 30 ECEDLO C[C@@H](Nc1ccnc(C#N)n1)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001058018607 773374800 /nfs/dbraw/zinc/37/48/00/773374800.db2.gz DAIHHIYLFBNVLW-CHWSQXEVSA-N 1 2 339.403 0.917 20 30 ECEDLO CC#CCCCC(=O)NC[C@]1(O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001040609025 783095961 /nfs/dbraw/zinc/09/59/61/783095961.db2.gz LGEUVXUQPLAPCP-QGZVFWFLSA-N 1 2 332.404 0.156 20 30 ECEDLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CCN(c2cnc(C#N)cn2)CC1 ZINC001058089715 773515219 /nfs/dbraw/zinc/51/52/19/773515219.db2.gz QSJZGSDAPNWDHA-UHFFFAOYSA-N 1 2 325.376 0.741 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCCN(c2cnc(C#N)cn2)C1 ZINC001058176689 773706710 /nfs/dbraw/zinc/70/67/10/773706710.db2.gz DZWNUNJROZOBLV-LBPRGKRZSA-N 1 2 325.376 0.409 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)C1 ZINC001058176763 773707673 /nfs/dbraw/zinc/70/76/73/773707673.db2.gz GJEBHNUALYJUPU-LBPRGKRZSA-N 1 2 325.376 0.409 20 30 ECEDLO C=C1CC(C)(C(=O)NCCN(CCO)C(=O)CCn2cc[nH+]c2)C1 ZINC001058200442 773757481 /nfs/dbraw/zinc/75/74/81/773757481.db2.gz GHJKPYVVVVCSQY-UHFFFAOYSA-N 1 2 334.420 0.567 20 30 ECEDLO CCc1nc(C#N)cc(N2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)n1 ZINC001058413071 774131901 /nfs/dbraw/zinc/13/19/01/774131901.db2.gz KCNMWGGXENBCFS-GFCCVEGCSA-N 1 2 339.403 0.880 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001058435084 774173816 /nfs/dbraw/zinc/17/38/16/774173816.db2.gz DKMOZRYNPXBRTQ-KGLIPLIRSA-N 1 2 336.436 0.738 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(C1)CC[NH+](Cc1nnnn1C1CC1)CC2 ZINC001040643242 783165999 /nfs/dbraw/zinc/16/59/99/783165999.db2.gz HAUAQOAJVLHJEE-CYBMUJFWSA-N 1 2 343.435 0.982 20 30 ECEDLO CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001045007326 774829600 /nfs/dbraw/zinc/82/96/00/774829600.db2.gz UOVUTRXSXSOEQF-ZIAGYGMSSA-N 1 2 344.415 0.396 20 30 ECEDLO CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001045007326 774829610 /nfs/dbraw/zinc/82/96/10/774829610.db2.gz UOVUTRXSXSOEQF-ZIAGYGMSSA-N 1 2 344.415 0.396 20 30 ECEDLO C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1CNc1ccnc(C#N)n1 ZINC001039876229 783217327 /nfs/dbraw/zinc/21/73/27/783217327.db2.gz WUYWAMUYBHJXFQ-OLZOCXBDSA-N 1 2 339.403 0.632 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001045069606 774929924 /nfs/dbraw/zinc/92/99/24/774929924.db2.gz YAULXKSUTSFMPH-KBPBESRZSA-N 1 2 348.447 0.880 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001045069606 774929927 /nfs/dbraw/zinc/92/99/27/774929927.db2.gz YAULXKSUTSFMPH-KBPBESRZSA-N 1 2 348.447 0.880 20 30 ECEDLO Cc1nc(N2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)c(C)c(C)[nH+]1 ZINC001043891534 775232570 /nfs/dbraw/zinc/23/25/70/775232570.db2.gz JQUSKARXGZGUQO-CABCVRRESA-N 1 2 340.387 0.581 20 30 ECEDLO C=CCCCC(=O)NCC1(O)CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001045455544 775633413 /nfs/dbraw/zinc/63/34/13/775633413.db2.gz YJDLRSWYIGMFOM-UHFFFAOYSA-N 1 2 334.420 0.399 20 30 ECEDLO C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001045458322 775640273 /nfs/dbraw/zinc/64/02/73/775640273.db2.gz ASHKEXXYMRZSOD-AWEZNQCLSA-N 1 2 346.431 0.491 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccn(C)c2CC)[C@@H](n2ccnn2)C1 ZINC001070029022 790382354 /nfs/dbraw/zinc/38/23/54/790382354.db2.gz QVQNARDIBIOMCW-WBVHZDCISA-N 1 2 340.431 0.858 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccn(C)c2CC)[C@@H](n2ccnn2)C1 ZINC001070029022 790382364 /nfs/dbraw/zinc/38/23/64/790382364.db2.gz QVQNARDIBIOMCW-WBVHZDCISA-N 1 2 340.431 0.858 20 30 ECEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001045542242 775764946 /nfs/dbraw/zinc/76/49/46/775764946.db2.gz IHTKJTJNQUPTTA-SNVBAGLBSA-N 1 2 345.241 0.547 20 30 ECEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001045558365 775796542 /nfs/dbraw/zinc/79/65/42/775796542.db2.gz LDVLXRQOQZKZRH-MNOVXSKESA-N 1 2 344.253 0.987 20 30 ECEDLO C=CCN1CC[C@@H](N2CC(N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)C1=O ZINC001044231905 775945144 /nfs/dbraw/zinc/94/51/44/775945144.db2.gz CVCWIKOHQBKURH-OAHLLOKOSA-N 1 2 331.420 0.190 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001044323576 776154185 /nfs/dbraw/zinc/15/41/85/776154185.db2.gz PFZPTBDDPIBVSR-MRXNPFEDSA-N 1 2 334.420 0.552 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](F)c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001070040692 790422420 /nfs/dbraw/zinc/42/24/20/790422420.db2.gz AYHPVHGLGUPDJL-OWCLPIDISA-N 1 2 327.363 0.964 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](F)c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001070040692 790422422 /nfs/dbraw/zinc/42/24/22/790422422.db2.gz AYHPVHGLGUPDJL-OWCLPIDISA-N 1 2 327.363 0.964 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)[C@@H](n2ccnn2)C1 ZINC001070047973 790446076 /nfs/dbraw/zinc/44/60/76/790446076.db2.gz RXIBYGBZEAJQDM-ZWJWXYIHSA-N 1 2 347.422 0.839 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)[C@@H](n2ccnn2)C1 ZINC001070047973 790446083 /nfs/dbraw/zinc/44/60/83/790446083.db2.gz RXIBYGBZEAJQDM-ZWJWXYIHSA-N 1 2 347.422 0.839 20 30 ECEDLO Cc1cc(C#N)nc(NC[C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001068515032 790452681 /nfs/dbraw/zinc/45/26/81/790452681.db2.gz USYVICCDGOGNPG-HAQNSBGRSA-N 1 2 325.376 0.929 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)s2)[C@@H](n2ccnn2)C1 ZINC001070051757 790456060 /nfs/dbraw/zinc/45/60/60/790456060.db2.gz NGQXFBHMIPTEBR-MNOVXSKESA-N 1 2 346.416 0.280 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)s2)[C@@H](n2ccnn2)C1 ZINC001070051757 790456066 /nfs/dbraw/zinc/45/60/66/790456066.db2.gz NGQXFBHMIPTEBR-MNOVXSKESA-N 1 2 346.416 0.280 20 30 ECEDLO C#CCCCCC(=O)N1CC(O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001044714785 776686151 /nfs/dbraw/zinc/68/61/51/776686151.db2.gz NXZSWIVJYZKGOR-UHFFFAOYSA-N 1 2 346.431 0.236 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001079777405 776854491 /nfs/dbraw/zinc/85/44/91/776854491.db2.gz ZBSNTQICJKAOOH-KGLIPLIRSA-N 1 2 346.431 0.686 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001079777405 776854501 /nfs/dbraw/zinc/85/45/01/776854501.db2.gz ZBSNTQICJKAOOH-KGLIPLIRSA-N 1 2 346.431 0.686 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnc(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001070064539 790487818 /nfs/dbraw/zinc/48/78/18/790487818.db2.gz WUVHROPQLNBEQC-CVEARBPZSA-N 1 2 339.403 0.364 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnc(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001070064539 790487824 /nfs/dbraw/zinc/48/78/24/790487824.db2.gz WUVHROPQLNBEQC-CVEARBPZSA-N 1 2 339.403 0.364 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cc(OC)no2)C[C@H]1C ZINC001079878043 777011787 /nfs/dbraw/zinc/01/17/87/777011787.db2.gz CVBXMKYLBWWQLO-BMFZPTHFSA-N 1 2 346.431 0.717 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cc(OC)no2)C[C@H]1C ZINC001079878043 777011794 /nfs/dbraw/zinc/01/17/94/777011794.db2.gz CVBXMKYLBWWQLO-BMFZPTHFSA-N 1 2 346.431 0.717 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnn(C)c2C(F)F)[C@@H](n2ccnn2)C1 ZINC001070072570 790509573 /nfs/dbraw/zinc/50/95/73/790509573.db2.gz OXFDSPUJRSDWMR-NEPJUHHUSA-N 1 2 349.345 0.238 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(C)c2C(F)F)[C@@H](n2ccnn2)C1 ZINC001070072570 790509580 /nfs/dbraw/zinc/50/95/80/790509580.db2.gz OXFDSPUJRSDWMR-NEPJUHHUSA-N 1 2 349.345 0.238 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001079965058 777163023 /nfs/dbraw/zinc/16/30/23/777163023.db2.gz UQGWUZBJVCXOJW-CYBMUJFWSA-N 1 2 334.420 0.993 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001079965058 777163028 /nfs/dbraw/zinc/16/30/28/777163028.db2.gz UQGWUZBJVCXOJW-CYBMUJFWSA-N 1 2 334.420 0.993 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 ZINC001080203673 777552068 /nfs/dbraw/zinc/55/20/68/777552068.db2.gz DXQMZTJBNVRXOC-AQNFWKISSA-N 1 2 343.855 0.811 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 ZINC001080203673 777552070 /nfs/dbraw/zinc/55/20/70/777552070.db2.gz DXQMZTJBNVRXOC-AQNFWKISSA-N 1 2 343.855 0.811 20 30 ECEDLO C#CCCCC(=O)NC1(CNC(=O)Cc2[nH]c[nH+]c2C)CCOCC1 ZINC001070091814 790572162 /nfs/dbraw/zinc/57/21/62/790572162.db2.gz FPGZCWMYOKGFAA-UHFFFAOYSA-N 1 2 346.431 0.846 20 30 ECEDLO C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001043206696 777959276 /nfs/dbraw/zinc/95/92/76/777959276.db2.gz AGWGTMXZZFAXBK-ZDUSSCGKSA-N 1 2 348.447 0.880 20 30 ECEDLO C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001043206696 777959281 /nfs/dbraw/zinc/95/92/81/777959281.db2.gz AGWGTMXZZFAXBK-ZDUSSCGKSA-N 1 2 348.447 0.880 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)n(C)n3)C[C@H]2C)nn1 ZINC001080580130 778085652 /nfs/dbraw/zinc/08/56/52/778085652.db2.gz KKDHFZVKPOYFNI-IUODEOHRSA-N 1 2 343.435 0.756 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)n(C)n3)C[C@H]2C)nn1 ZINC001080580130 778085663 /nfs/dbraw/zinc/08/56/63/778085663.db2.gz KKDHFZVKPOYFNI-IUODEOHRSA-N 1 2 343.435 0.756 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[C@H](CNC(=O)CCc1[nH]cc[nH+]1)O2 ZINC001068568713 790594011 /nfs/dbraw/zinc/59/40/11/790594011.db2.gz XGQPKDANTDNUCI-QWHCGFSZSA-N 1 2 345.403 0.378 20 30 ECEDLO C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001043624241 778614855 /nfs/dbraw/zinc/61/48/55/778614855.db2.gz 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1 2 348.403 0.799 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(=O)Nc3cc(C)on3)C[C@@H]21 ZINC001074402641 786866081 /nfs/dbraw/zinc/86/60/81/786866081.db2.gz JSICKXCNTNALEG-UONOGXRCSA-N 1 2 348.403 0.799 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@H]21 ZINC001074404805 786875683 /nfs/dbraw/zinc/87/56/83/786875683.db2.gz IILVKRBKZZWOOZ-CABCVRRESA-N 1 2 330.388 0.052 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@H]21 ZINC001074404805 786875689 /nfs/dbraw/zinc/87/56/89/786875689.db2.gz IILVKRBKZZWOOZ-CABCVRRESA-N 1 2 330.388 0.052 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3c(C)csc3=O)C[C@H]21 ZINC001074404987 786875846 /nfs/dbraw/zinc/87/58/46/786875846.db2.gz KSVYGWULJGXKNC-HUUCEWRRSA-N 1 2 349.456 0.543 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3c(C)csc3=O)C[C@H]21 ZINC001074404987 786875850 /nfs/dbraw/zinc/87/58/50/786875850.db2.gz KSVYGWULJGXKNC-HUUCEWRRSA-N 1 2 349.456 0.543 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCc3cn(C)nn3)C[C@H]21 ZINC001074419445 786928195 /nfs/dbraw/zinc/92/81/95/786928195.db2.gz LUTGHMYIUWZUGF-CVEARBPZSA-N 1 2 331.420 0.073 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCc3cn(C)nn3)C[C@H]21 ZINC001074419445 786928203 /nfs/dbraw/zinc/92/82/03/786928203.db2.gz LUTGHMYIUWZUGF-CVEARBPZSA-N 1 2 331.420 0.073 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(CC)n(C)n3)C[C@@H]21 ZINC001074419603 786929072 /nfs/dbraw/zinc/92/90/72/786929072.db2.gz OIPIGKNLJZQKKH-IRXDYDNUSA-N 1 2 330.432 0.921 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(CC)n(C)n3)C[C@@H]21 ZINC001074419603 786929074 /nfs/dbraw/zinc/92/90/74/786929074.db2.gz OIPIGKNLJZQKKH-IRXDYDNUSA-N 1 2 330.432 0.921 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1NC(=O)CSCC#N ZINC001073744887 787108048 /nfs/dbraw/zinc/10/80/48/787108048.db2.gz RQSQMCGTGPXTGA-TZMCWYRMSA-N 1 2 349.460 0.573 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cccc(=O)n2C)C1 ZINC001073760691 787147220 /nfs/dbraw/zinc/14/72/20/787147220.db2.gz ZHMVPKZJCSOTDQ-ZDUSSCGKSA-N 1 2 339.823 0.959 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(=O)n2C)C1 ZINC001073760691 787147225 /nfs/dbraw/zinc/14/72/25/787147225.db2.gz ZHMVPKZJCSOTDQ-ZDUSSCGKSA-N 1 2 339.823 0.959 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001073819718 787262849 /nfs/dbraw/zinc/26/28/49/787262849.db2.gz IENWPXSUXXBQSW-LSDHHAIUSA-N 1 2 334.420 0.829 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001073873767 787416394 /nfs/dbraw/zinc/41/63/94/787416394.db2.gz JGVXHNULFTYODL-KGLIPLIRSA-N 1 2 343.855 0.957 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001073873767 787416402 /nfs/dbraw/zinc/41/64/02/787416402.db2.gz JGVXHNULFTYODL-KGLIPLIRSA-N 1 2 343.855 0.957 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)NCC1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001074692776 787617096 /nfs/dbraw/zinc/61/70/96/787617096.db2.gz QCJZHHQUZVJFRD-KBPBESRZSA-N 1 2 348.447 0.880 20 30 ECEDLO Cn1cnnc1C[N@@H+]1CCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001072592900 788386916 /nfs/dbraw/zinc/38/69/16/788386916.db2.gz TYSPMAUEOZHLJS-UHFFFAOYSA-N 1 2 325.376 0.363 20 30 ECEDLO Cn1cnnc1C[N@H+]1CCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001072592900 788386926 /nfs/dbraw/zinc/38/69/26/788386926.db2.gz TYSPMAUEOZHLJS-UHFFFAOYSA-N 1 2 325.376 0.363 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nc(N(C)C)no2)[C@@H]1C ZINC001074899645 788518683 /nfs/dbraw/zinc/51/86/83/788518683.db2.gz IVONAINKATWACF-CRWXNKLISA-N 1 2 349.435 0.806 20 30 ECEDLO C=CCCOCC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC001075043209 788788278 /nfs/dbraw/zinc/78/82/78/788788278.db2.gz JZHVYTWRENHWOC-GJZGRUSLSA-N 1 2 334.420 0.972 20 30 ECEDLO C=CCN1CC[C@H]([NH2+]Cc2cn([C@H]3CCCN(C(C)=O)C3)nn2)C1=O ZINC001075373151 789288767 /nfs/dbraw/zinc/28/87/67/789288767.db2.gz TXAYGJVEAHFXSB-HOTGVXAUSA-N 1 2 346.435 0.338 20 30 ECEDLO C=CCN1CC[C@@H]([NH2+]Cc2cn([C@H]3CCCN(C(C)=O)C3)nn2)C1=O ZINC001075373153 789289047 /nfs/dbraw/zinc/28/90/47/789289047.db2.gz TXAYGJVEAHFXSB-JKSUJKDBSA-N 1 2 346.435 0.338 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CCC(C)(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001073025641 789295941 /nfs/dbraw/zinc/29/59/41/789295941.db2.gz SCLCCHQRJFRYJN-AWEZNQCLSA-N 1 2 346.431 0.878 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CCC(C)(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001073025641 789295946 /nfs/dbraw/zinc/29/59/46/789295946.db2.gz SCLCCHQRJFRYJN-AWEZNQCLSA-N 1 2 346.431 0.878 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCC(C)(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001073025739 789296750 /nfs/dbraw/zinc/29/67/50/789296750.db2.gz UMOYGDFOOHOLLO-OAHLLOKOSA-N 1 2 346.431 0.809 20 30 ECEDLO C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCCN1c1nccnc1C#N ZINC001069376041 789783752 /nfs/dbraw/zinc/78/37/52/789783752.db2.gz QXYLLYGADAMCFQ-QWHCGFSZSA-N 1 2 325.376 0.718 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC001073394580 789786878 /nfs/dbraw/zinc/78/68/78/789786878.db2.gz DOCVWEBXXINQOP-ZFWWWQNUSA-N 1 2 346.431 0.734 20 30 ECEDLO N#Cc1nccc(NC[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001069483114 789854935 /nfs/dbraw/zinc/85/49/35/789854935.db2.gz DNYZKHTVVQPZJN-VXGBXAGGSA-N 1 2 325.376 0.433 20 30 ECEDLO CCC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN(C(=O)[C@H](C)C#N)CC1 ZINC001069582360 789917971 /nfs/dbraw/zinc/91/79/71/789917971.db2.gz DQVLAFCYYBSLIA-KGLIPLIRSA-N 1 2 336.436 0.364 20 30 ECEDLO CCC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN(C(=O)[C@H](C)C#N)CC1 ZINC001069582360 789917973 /nfs/dbraw/zinc/91/79/73/789917973.db2.gz DQVLAFCYYBSLIA-KGLIPLIRSA-N 1 2 336.436 0.364 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001069785186 790031847 /nfs/dbraw/zinc/03/18/47/790031847.db2.gz UDOYZYQVGBTBPW-SFHVURJKSA-N 1 2 346.431 0.996 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3nccnc3N)c2C1 ZINC001069855325 790103143 /nfs/dbraw/zinc/10/31/43/790103143.db2.gz WEQUQFFHUFJUQD-UHFFFAOYSA-N 1 2 327.392 0.577 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3nccnc3N)c2C1 ZINC001069855325 790103144 /nfs/dbraw/zinc/10/31/44/790103144.db2.gz WEQUQFFHUFJUQD-UHFFFAOYSA-N 1 2 327.392 0.577 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3cc(=O)n(C)o3)c2C1 ZINC001069859099 790109717 /nfs/dbraw/zinc/10/97/17/790109717.db2.gz FEXLMCQUUFOTMJ-UHFFFAOYSA-N 1 2 331.376 0.497 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3cc(=O)n(C)o3)c2C1 ZINC001069859099 790109719 /nfs/dbraw/zinc/10/97/19/790109719.db2.gz FEXLMCQUUFOTMJ-UHFFFAOYSA-N 1 2 331.376 0.497 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3cc(=O)n(C)cn3)c2C1 ZINC001069863335 790117689 /nfs/dbraw/zinc/11/76/89/790117689.db2.gz JYVPNVCFKLMIEZ-UHFFFAOYSA-N 1 2 342.403 0.299 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3cc(=O)n(C)cn3)c2C1 ZINC001069863335 790117692 /nfs/dbraw/zinc/11/76/92/790117692.db2.gz JYVPNVCFKLMIEZ-UHFFFAOYSA-N 1 2 342.403 0.299 20 30 ECEDLO CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1n1ccnn1 ZINC001069884262 790150695 /nfs/dbraw/zinc/15/06/95/790150695.db2.gz BCOGROJPRKJNHG-CVEARBPZSA-N 1 2 328.351 0.850 20 30 ECEDLO CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1n1ccnn1 ZINC001069884262 790150699 /nfs/dbraw/zinc/15/06/99/790150699.db2.gz BCOGROJPRKJNHG-CVEARBPZSA-N 1 2 328.351 0.850 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069929953 790202762 /nfs/dbraw/zinc/20/27/62/790202762.db2.gz VPLAHTPZPUBDLM-YVSFHVDLSA-N 1 2 345.447 0.704 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069929953 790202765 /nfs/dbraw/zinc/20/27/65/790202765.db2.gz VPLAHTPZPUBDLM-YVSFHVDLSA-N 1 2 345.447 0.704 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(F)c(F)c2)[C@@H](n2ccnn2)C1 ZINC001069946477 790225179 /nfs/dbraw/zinc/22/51/79/790225179.db2.gz SQUXNNYMLBKHHU-CABCVRRESA-N 1 2 331.326 0.845 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(F)c(F)c2)[C@@H](n2ccnn2)C1 ZINC001069946477 790225182 /nfs/dbraw/zinc/22/51/82/790225182.db2.gz SQUXNNYMLBKHHU-CABCVRRESA-N 1 2 331.326 0.845 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(OCC)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069953366 790234906 /nfs/dbraw/zinc/23/49/06/790234906.db2.gz BBEFMTIUGDRLOJ-KGLIPLIRSA-N 1 2 343.391 0.079 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(OCC)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069953366 790234910 /nfs/dbraw/zinc/23/49/10/790234910.db2.gz BBEFMTIUGDRLOJ-KGLIPLIRSA-N 1 2 343.391 0.079 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc3ccccn23)[C@@H](n2ccnn2)C1 ZINC001069964391 790249057 /nfs/dbraw/zinc/24/90/57/790249057.db2.gz KOCMVWJBESIGSS-HIFRSBDPSA-N 1 2 335.371 0.214 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3ccccn23)[C@@H](n2ccnn2)C1 ZINC001069964391 790249060 /nfs/dbraw/zinc/24/90/60/790249060.db2.gz KOCMVWJBESIGSS-HIFRSBDPSA-N 1 2 335.371 0.214 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2CC)[C@@H](n2ccnn2)C1 ZINC001069967326 790254337 /nfs/dbraw/zinc/25/43/37/790254337.db2.gz ZKKFLPGUSOXCMR-CABCVRRESA-N 1 2 327.392 0.242 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2CC)[C@@H](n2ccnn2)C1 ZINC001069967326 790254341 /nfs/dbraw/zinc/25/43/41/790254341.db2.gz ZKKFLPGUSOXCMR-CABCVRRESA-N 1 2 327.392 0.242 20 30 ECEDLO CC(C)C#CC(=O)N1CC2(C1)C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)CO2 ZINC001068844702 791249610 /nfs/dbraw/zinc/24/96/10/791249610.db2.gz NXESHVMOJIXUKH-CQSZACIVSA-N 1 2 344.415 0.488 20 30 ECEDLO C[C@@H]1[C@@H](Nc2ccnc(C#N)n2)CCN1C(=O)CCc1c[nH+]cn1C ZINC001068881756 791335592 /nfs/dbraw/zinc/33/55/92/791335592.db2.gz RKTXSXYKHHOENI-OCCSQVGLSA-N 1 2 339.403 0.538 20 30 ECEDLO CC(C)C#CC(=O)N1CC2(C1)C[C@H](NC(=O)CCn1cc[nH+]c1)CO2 ZINC001068936037 791456946 /nfs/dbraw/zinc/45/69/46/791456946.db2.gz BUVQWKHGXJRTSY-HNNXBMFYSA-N 1 2 344.415 0.419 20 30 ECEDLO C#CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)CCn1cc[nH+]c1)CO2 ZINC001068938082 791463027 /nfs/dbraw/zinc/46/30/27/791463027.db2.gz WDZVTIUXKHMBPA-HNNXBMFYSA-N 1 2 344.415 0.563 20 30 ECEDLO CC#CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)Cc1[nH]cc[nH+]1)CO2 ZINC001068982833 791546859 /nfs/dbraw/zinc/54/68/59/791546859.db2.gz 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CN(C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1)c1nccnc1C#N ZINC001067765367 792249698 /nfs/dbraw/zinc/24/96/98/792249698.db2.gz KHWVIVPYVYVTIQ-ZDUSSCGKSA-N 1 2 325.376 0.672 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@](CO)(Nc2[nH+]cnc3c2cnn3C)C1 ZINC001066892852 792299795 /nfs/dbraw/zinc/29/97/95/792299795.db2.gz NRUZFMWZBZVUGO-ZBEGNZNMSA-N 1 2 343.391 0.288 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1)c1ccnc(C#N)n1 ZINC001067802288 792307315 /nfs/dbraw/zinc/30/73/15/792307315.db2.gz FMMYMHKQZWMBSP-ZDUSSCGKSA-N 1 2 325.376 0.741 20 30 ECEDLO N#Cc1ccc(N[C@]2(CO)CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC001066909911 792356996 /nfs/dbraw/zinc/35/69/96/792356996.db2.gz ABWWAPQPASJJJV-QGZVFWFLSA-N 1 2 340.387 0.684 20 30 ECEDLO N#Cc1ccc(N[C@@]2(CO)CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC001066910576 792360884 /nfs/dbraw/zinc/36/08/84/792360884.db2.gz RDPNRTCNDFHOQM-INIZCTEOSA-N 1 2 341.375 0.079 20 30 ECEDLO N#Cc1cccnc1N[C@]1(CO)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001066923908 792394813 /nfs/dbraw/zinc/39/48/13/792394813.db2.gz XTBDPRNVRQAUFU-QGZVFWFLSA-N 1 2 340.387 0.684 20 30 ECEDLO C[C@@H]1CCN(c2cncc(C#N)n2)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067962516 792511171 /nfs/dbraw/zinc/51/11/71/792511171.db2.gz BOJZZUODIBALFU-DOMZBBRYSA-N 1 2 339.403 0.655 20 30 ECEDLO C[C@@H]1CCN(c2cncc(C#N)n2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067962518 792511354 /nfs/dbraw/zinc/51/13/54/792511354.db2.gz BOJZZUODIBALFU-IUODEOHRSA-N 1 2 339.403 0.655 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CN(c2ccnc(C#N)n2)CC[C@@H]1C ZINC001067963889 792514305 /nfs/dbraw/zinc/51/43/05/792514305.db2.gz WAHVRQLQNCFUKV-FZMZJTMJSA-N 1 2 339.403 0.954 20 30 ECEDLO C=CCOCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001067001056 792544759 /nfs/dbraw/zinc/54/47/59/792544759.db2.gz KLPKEGUDCFXKKM-OAHLLOKOSA-N 1 2 348.447 0.955 20 30 ECEDLO C[C@@H]1CCN(c2cncc(C#N)n2)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067992860 792554528 /nfs/dbraw/zinc/55/45/28/792554528.db2.gz DDLOMLDTVRURKC-BXUZGUMPSA-N 1 2 325.376 0.645 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)CC1(C)C ZINC001068118573 792702644 /nfs/dbraw/zinc/70/26/44/792702644.db2.gz ZOAUGASADDHUFT-CQSZACIVSA-N 1 2 339.403 0.954 20 30 ECEDLO CC1(C)CN(c2cnc(C#N)cn2)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001068119685 792705568 /nfs/dbraw/zinc/70/55/68/792705568.db2.gz UOYQQYWINIRCHE-LBPRGKRZSA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1Nc1ccc(C#N)nn1 ZINC001067227561 792848003 /nfs/dbraw/zinc/84/80/03/792848003.db2.gz PAUKQKBJDUULQN-OCCSQVGLSA-N 1 2 339.403 0.973 20 30 ECEDLO C[C@@H]1C[C@@H](CNc2ccnc(C#N)n2)CN1C(=O)Cn1cc[nH+]c1 ZINC001068334862 793069452 /nfs/dbraw/zinc/06/94/52/793069452.db2.gz CWIURTHUNCWNGV-OLZOCXBDSA-N 1 2 325.376 0.316 20 30 ECEDLO C[C@H]1CN(c2ccc(C#N)nn2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067408861 793114968 /nfs/dbraw/zinc/11/49/68/793114968.db2.gz WEZLOVVQEQQAPR-AAEUAGOBSA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@H]1C[C@H](CNc2ccnc(C#N)n2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001068376634 793151923 /nfs/dbraw/zinc/15/19/23/793151923.db2.gz XWBFZZUZDYTVRG-NWDGAFQWSA-N 1 2 325.376 0.385 20 30 ECEDLO C=C(C)CCC(=O)N1CCOC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001068403683 793230823 /nfs/dbraw/zinc/23/08/23/793230823.db2.gz UDCPTPISLULHCP-UHFFFAOYSA-N 1 2 332.404 0.748 20 30 ECEDLO CCCN(C(=O)c1[nH]cnc1C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267496407 837567338 /nfs/dbraw/zinc/56/73/38/837567338.db2.gz SHKCNMDRVZFECZ-ZDUSSCGKSA-N 1 2 332.408 0.284 20 30 ECEDLO CCCN(C(=O)c1[nH]cnc1C)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267496407 837567345 /nfs/dbraw/zinc/56/73/45/837567345.db2.gz SHKCNMDRVZFECZ-ZDUSSCGKSA-N 1 2 332.408 0.284 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2ccc(C)cc2OC)C1 ZINC001266246595 835553214 /nfs/dbraw/zinc/55/32/14/835553214.db2.gz SQKCDZMDABBTFZ-HNNXBMFYSA-N 1 2 343.427 0.947 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)cc2OC)C1 ZINC001266246595 835553222 /nfs/dbraw/zinc/55/32/22/835553222.db2.gz SQKCDZMDABBTFZ-HNNXBMFYSA-N 1 2 343.427 0.947 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)Cc2ccc(C)nc2)C1 ZINC001266248586 835554322 /nfs/dbraw/zinc/55/43/22/835554322.db2.gz OUCKSUKMJOCTAE-INIZCTEOSA-N 1 2 328.416 0.263 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(C)nc2)C1 ZINC001266248586 835554327 /nfs/dbraw/zinc/55/43/27/835554327.db2.gz OUCKSUKMJOCTAE-INIZCTEOSA-N 1 2 328.416 0.263 20 30 ECEDLO CC(C)(CC(=O)NCC[NH+]1CCN(CC(=O)NCC#N)CC1)C1CC1 ZINC001266283228 835614238 /nfs/dbraw/zinc/61/42/38/835614238.db2.gz JMUADFGPXHTHQN-UHFFFAOYSA-N 1 2 349.479 0.186 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCC[NH+]1CCN(Cc2nccnc2C)CC1 ZINC001266283549 835614570 /nfs/dbraw/zinc/61/45/70/835614570.db2.gz QWJTYACMCLRSEI-SFHVURJKSA-N 1 2 347.463 0.346 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCCN1CC[NH+](Cc2conc2C)CC1 ZINC001266283511 835614765 /nfs/dbraw/zinc/61/47/65/835614765.db2.gz PVNPJTGBXBSIJU-OAHLLOKOSA-N 1 2 334.420 0.255 20 30 ECEDLO C#CCN1CC[NH+](CCNC(=O)Cc2cnn3ccccc23)CC1 ZINC001266285982 835622479 /nfs/dbraw/zinc/62/24/79/835622479.db2.gz UNVPUVKRFWCFOJ-UHFFFAOYSA-N 1 2 325.416 0.244 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCC[NH+]1CCN(Cc2cnnn2C)CC1 ZINC001266289793 835633454 /nfs/dbraw/zinc/63/34/54/835633454.db2.gz BWYGUWVWEJYJOB-UHFFFAOYSA-N 1 2 334.468 0.651 20 30 ECEDLO C[N@H+](CCNC(=O)c1cc(Br)c[nH]1)CC(=O)NCC#N ZINC001266295419 835642621 /nfs/dbraw/zinc/64/26/21/835642621.db2.gz JGRBMMNFEAVZKC-UHFFFAOYSA-N 1 2 342.197 0.079 20 30 ECEDLO C[N@@H+](CCNC(=O)c1cc(Br)c[nH]1)CC(=O)NCC#N ZINC001266295419 835642624 /nfs/dbraw/zinc/64/26/24/835642624.db2.gz JGRBMMNFEAVZKC-UHFFFAOYSA-N 1 2 342.197 0.079 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccnn2C(C)C)C1 ZINC001266321700 835695494 /nfs/dbraw/zinc/69/54/94/835695494.db2.gz USOMTRTWIKDXRF-UONOGXRCSA-N 1 2 331.420 0.406 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccnn2C(C)C)C1 ZINC001266321700 835695498 /nfs/dbraw/zinc/69/54/98/835695498.db2.gz USOMTRTWIKDXRF-UONOGXRCSA-N 1 2 331.420 0.406 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cc(F)ccc2F)C1 ZINC001266322798 835697279 /nfs/dbraw/zinc/69/72/79/835697279.db2.gz OBUMECOVRRAHCI-AAEUAGOBSA-N 1 2 335.354 0.907 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cc(F)ccc2F)C1 ZINC001266322798 835697283 /nfs/dbraw/zinc/69/72/83/835697283.db2.gz OBUMECOVRRAHCI-AAEUAGOBSA-N 1 2 335.354 0.907 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1cnc(C(C)C)nc1C ZINC001266332468 835714927 /nfs/dbraw/zinc/71/49/27/835714927.db2.gz OIHXALYQELOPNI-UHFFFAOYSA-N 1 2 331.420 0.319 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1cnc(C(C)C)nc1C ZINC001266332468 835714932 /nfs/dbraw/zinc/71/49/32/835714932.db2.gz OIHXALYQELOPNI-UHFFFAOYSA-N 1 2 331.420 0.319 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c(C)cc(F)cc2C)C1 ZINC001266333239 835715768 /nfs/dbraw/zinc/71/57/68/835715768.db2.gz JHXOFFYDRZBDRQ-OAHLLOKOSA-N 1 2 331.391 0.996 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c(C)cc(F)cc2C)C1 ZINC001266333239 835715777 /nfs/dbraw/zinc/71/57/77/835715777.db2.gz JHXOFFYDRZBDRQ-OAHLLOKOSA-N 1 2 331.391 0.996 20 30 ECEDLO CC(C)(CC(F)(F)F)C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001266349520 835744526 /nfs/dbraw/zinc/74/45/26/835744526.db2.gz IIRZLUOHCKXOOH-SNVBAGLBSA-N 1 2 334.342 0.795 20 30 ECEDLO CC(C)(CC(F)(F)F)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001266349520 835744535 /nfs/dbraw/zinc/74/45/35/835744535.db2.gz IIRZLUOHCKXOOH-SNVBAGLBSA-N 1 2 334.342 0.795 20 30 ECEDLO C=C(Br)C[NH2+][C@@H]1CCN(C(=O)CCc2cnn[nH]2)C1 ZINC000970008408 835749763 /nfs/dbraw/zinc/74/97/63/835749763.db2.gz YDANNECPQHPCOT-LLVKDONJSA-N 1 2 328.214 0.836 20 30 ECEDLO C[N@H+](CCNC(=O)COc1ccc2c(c1)CCC2)CC(=O)NCC#N ZINC001266357206 835762519 /nfs/dbraw/zinc/76/25/19/835762519.db2.gz OQNSDMTWXVRFFA-UHFFFAOYSA-N 1 2 344.415 0.242 20 30 ECEDLO C[N@@H+](CCNC(=O)COc1ccc2c(c1)CCC2)CC(=O)NCC#N ZINC001266357206 835762529 /nfs/dbraw/zinc/76/25/29/835762529.db2.gz OQNSDMTWXVRFFA-UHFFFAOYSA-N 1 2 344.415 0.242 20 30 ECEDLO Cc1ccccc1[C@@H](C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001266360752 835769784 /nfs/dbraw/zinc/76/97/84/835769784.db2.gz BTCWFYRMUYSMJE-HUUCEWRRSA-N 1 2 328.416 0.929 20 30 ECEDLO Cc1ccccc1[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001266360752 835769790 /nfs/dbraw/zinc/76/97/90/835769790.db2.gz BTCWFYRMUYSMJE-HUUCEWRRSA-N 1 2 328.416 0.929 20 30 ECEDLO CCn1nc(C)c(C(=O)NCC[N@H+](C)CC(=O)NCC#N)c1Cl ZINC001266360152 835770095 /nfs/dbraw/zinc/77/00/95/835770095.db2.gz SOPJGJFRCIHEBT-UHFFFAOYSA-N 1 2 340.815 0.166 20 30 ECEDLO CCn1nc(C)c(C(=O)NCC[N@@H+](C)CC(=O)NCC#N)c1Cl ZINC001266360152 835770105 /nfs/dbraw/zinc/77/01/05/835770105.db2.gz SOPJGJFRCIHEBT-UHFFFAOYSA-N 1 2 340.815 0.166 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1conc1C(C)C ZINC001266467911 835868550 /nfs/dbraw/zinc/86/85/50/835868550.db2.gz GFTPRFQCPQVQBZ-ZDUSSCGKSA-N 1 2 332.404 0.742 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1conc1C(C)C ZINC001266467911 835868553 /nfs/dbraw/zinc/86/85/53/835868553.db2.gz GFTPRFQCPQVQBZ-ZDUSSCGKSA-N 1 2 332.404 0.742 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)nnc1CC ZINC001266471109 835873605 /nfs/dbraw/zinc/87/36/05/835873605.db2.gz IIPPKZMGMPYLSD-AWEZNQCLSA-N 1 2 343.431 0.291 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)nnc1CC ZINC001266471109 835873610 /nfs/dbraw/zinc/87/36/10/835873610.db2.gz IIPPKZMGMPYLSD-AWEZNQCLSA-N 1 2 343.431 0.291 20 30 ECEDLO CCCC[C@@H](C(N)=O)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CSCC#N ZINC001266478337 835879696 /nfs/dbraw/zinc/87/96/96/835879696.db2.gz KQOFDXYGEWUWEQ-MJBXVCDLSA-N 1 2 338.477 0.962 20 30 ECEDLO CCCC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CSCC#N ZINC001266478337 835879697 /nfs/dbraw/zinc/87/96/97/835879697.db2.gz KQOFDXYGEWUWEQ-MJBXVCDLSA-N 1 2 338.477 0.962 20 30 ECEDLO CCCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NCC#N)c(C)n1 ZINC001266486686 835886085 /nfs/dbraw/zinc/88/60/85/835886085.db2.gz QLPOVNUDYZEDSX-CQSZACIVSA-N 1 2 346.435 0.436 20 30 ECEDLO CCCn1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NCC#N)c(C)n1 ZINC001266486686 835886094 /nfs/dbraw/zinc/88/60/94/835886094.db2.gz QLPOVNUDYZEDSX-CQSZACIVSA-N 1 2 346.435 0.436 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)C1CC([NH2+]Cc2nnn(C(C)(C)C)n2)C1 ZINC001279229262 836329170 /nfs/dbraw/zinc/32/91/70/836329170.db2.gz LDAUTJOLECXENU-HSBZDZAISA-N 1 2 348.451 0.545 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccnc(OC)c1 ZINC001266844689 836371171 /nfs/dbraw/zinc/37/11/71/836371171.db2.gz OLEPFYGFMBDCSK-HNNXBMFYSA-N 1 2 344.415 0.424 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccnc(OC)c1 ZINC001266844689 836371178 /nfs/dbraw/zinc/37/11/78/836371178.db2.gz OLEPFYGFMBDCSK-HNNXBMFYSA-N 1 2 344.415 0.424 20 30 ECEDLO C=CCC[NH2+]C[C@@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001267061622 836701179 /nfs/dbraw/zinc/70/11/79/836701179.db2.gz QIHPHKOCZGHKNY-LBPRGKRZSA-N 1 2 330.392 0.085 20 30 ECEDLO CC(C)C#CC(=O)NCC[N@H+](C)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC001267195217 836960251 /nfs/dbraw/zinc/96/02/51/836960251.db2.gz RUACVMUAMAAWBR-HNNXBMFYSA-N 1 2 331.420 0.233 20 30 ECEDLO CC(C)C#CC(=O)NCC[N@@H+](C)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC001267195217 836960263 /nfs/dbraw/zinc/96/02/63/836960263.db2.gz RUACVMUAMAAWBR-HNNXBMFYSA-N 1 2 331.420 0.233 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1COc2cc(F)ccc2C1 ZINC001267195613 836961878 /nfs/dbraw/zinc/96/18/78/836961878.db2.gz HRZAQGWDXWORCH-AWEZNQCLSA-N 1 2 347.390 0.174 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1COc2cc(F)ccc2C1 ZINC001267195613 836961889 /nfs/dbraw/zinc/96/18/89/836961889.db2.gz HRZAQGWDXWORCH-AWEZNQCLSA-N 1 2 347.390 0.174 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1ccnc2ccncc21 ZINC001267209489 836995378 /nfs/dbraw/zinc/99/53/78/836995378.db2.gz AWAOXEILQBMLDM-UHFFFAOYSA-N 1 2 327.388 0.594 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccnc2ccncc21 ZINC001267209489 836995382 /nfs/dbraw/zinc/99/53/82/836995382.db2.gz AWAOXEILQBMLDM-UHFFFAOYSA-N 1 2 327.388 0.594 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)COc1cc(F)cc(F)c1 ZINC001267233746 837040183 /nfs/dbraw/zinc/04/01/83/837040183.db2.gz 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C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cc2c(C)noc2C)C1 ZINC001267634273 838103486 /nfs/dbraw/zinc/10/34/86/838103486.db2.gz OHLWAYJPQMLOJK-AWEZNQCLSA-N 1 2 332.404 0.164 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)COCC2CCCC2)C1 ZINC001267683230 838244311 /nfs/dbraw/zinc/24/43/11/838244311.db2.gz QAKDLVYCVLQNSY-AWEZNQCLSA-N 1 2 335.448 0.379 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2n[nH]c3c2CCCC3)C1 ZINC001267688726 838254132 /nfs/dbraw/zinc/25/41/32/838254132.db2.gz TXYIQZQJSRHHGZ-LBPRGKRZSA-N 1 2 345.447 0.641 20 30 ECEDLO C=C1CCC(C(=O)NCC2C[NH+](CC(=O)NC(=O)NC3CC3)C2)CC1 ZINC001267691773 838264849 /nfs/dbraw/zinc/26/48/49/838264849.db2.gz UPXVEVBSTPMRRG-UHFFFAOYSA-N 1 2 348.447 0.769 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC23CC(OCC)C3)C1 ZINC001267692487 838268051 /nfs/dbraw/zinc/26/80/51/838268051.db2.gz HEKHLTKPWIOPMB-CSLYMUCUSA-N 1 2 335.448 0.542 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@@H](C)c2cccnc2)C1 ZINC001267697586 838287384 /nfs/dbraw/zinc/28/73/84/838287384.db2.gz MQRSMDMUTQJXBT-UONOGXRCSA-N 1 2 328.416 0.371 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1(COC)CC1 ZINC001267706130 838307871 /nfs/dbraw/zinc/30/78/71/838307871.db2.gz BZQMBNPEEVEWRC-ILXRZTDVSA-N 1 2 335.448 0.779 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1(COC)CC1 ZINC001267706130 838307877 /nfs/dbraw/zinc/30/78/77/838307877.db2.gz BZQMBNPEEVEWRC-ILXRZTDVSA-N 1 2 335.448 0.779 20 30 ECEDLO N#CCSCC(=O)N[C@H]1CC[N@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001267719001 838371390 /nfs/dbraw/zinc/37/13/90/838371390.db2.gz NFNYKODPFAFSRS-OLZOCXBDSA-N 1 2 345.490 0.258 20 30 ECEDLO N#CCSCC(=O)N[C@H]1CC[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001267719001 838371395 /nfs/dbraw/zinc/37/13/95/838371395.db2.gz NFNYKODPFAFSRS-OLZOCXBDSA-N 1 2 345.490 0.258 20 30 ECEDLO C[C@@H](C[N@@H+]1CC[C@H](NC(=O)CSCC#N)C1)CS(C)(=O)=O ZINC001267718864 838371436 /nfs/dbraw/zinc/37/14/36/838371436.db2.gz KUCJKXBJKWSHSL-RYUDHWBXSA-N 1 2 333.479 0.114 20 30 ECEDLO C[C@@H](C[N@H+]1CC[C@H](NC(=O)CSCC#N)C1)CS(C)(=O)=O ZINC001267718864 838371438 /nfs/dbraw/zinc/37/14/38/838371438.db2.gz KUCJKXBJKWSHSL-RYUDHWBXSA-N 1 2 333.479 0.114 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CCCS(=O)(=O)CC)C1 ZINC001267741643 838442844 /nfs/dbraw/zinc/44/28/44/838442844.db2.gz HAHMDTYVRHPSJS-ZIAGYGMSSA-N 1 2 330.450 0.040 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CC[N@H+](CCCS(=O)(=O)CC)C1 ZINC001267741643 838442846 /nfs/dbraw/zinc/44/28/46/838442846.db2.gz HAHMDTYVRHPSJS-ZIAGYGMSSA-N 1 2 330.450 0.040 20 30 ECEDLO CN(C(=O)c1ccn(C(C)(C)C)n1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267761826 838490862 /nfs/dbraw/zinc/49/08/62/838490862.db2.gz APPOZDMCAJMEGE-CYBMUJFWSA-N 1 2 346.435 0.424 20 30 ECEDLO CN(C(=O)c1ccn(C(C)(C)C)n1)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267761826 838490865 /nfs/dbraw/zinc/49/08/65/838490865.db2.gz APPOZDMCAJMEGE-CYBMUJFWSA-N 1 2 346.435 0.424 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C)nnc2CC)C1 ZINC001267768160 838506914 /nfs/dbraw/zinc/50/69/14/838506914.db2.gz NBRKUKWWSXJZLR-CQSZACIVSA-N 1 2 345.447 0.796 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)nnc2CC)C1 ZINC001267768160 838506918 /nfs/dbraw/zinc/50/69/18/838506918.db2.gz NBRKUKWWSXJZLR-CQSZACIVSA-N 1 2 345.447 0.796 20 30 ECEDLO CCn1ccc(C(=O)N(C)[C@H]2CC[N@H+](CC(=O)NCC#N)C2)c1C ZINC001267769579 838515562 /nfs/dbraw/zinc/51/55/62/838515562.db2.gz CCPDCGFMDFGUDJ-AWEZNQCLSA-N 1 2 331.420 0.603 20 30 ECEDLO CCn1ccc(C(=O)N(C)[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)c1C ZINC001267769579 838515566 /nfs/dbraw/zinc/51/55/66/838515566.db2.gz CCPDCGFMDFGUDJ-AWEZNQCLSA-N 1 2 331.420 0.603 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C2(C)CC=CC2)C1 ZINC001267773043 838530758 /nfs/dbraw/zinc/53/07/58/838530758.db2.gz YZXFRDQWYDNEME-CQSZACIVSA-N 1 2 348.447 0.887 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(C)CC=CC2)C1 ZINC001267773043 838530759 /nfs/dbraw/zinc/53/07/59/838530759.db2.gz 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C#CCCCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC001267925488 838802924 /nfs/dbraw/zinc/80/29/24/838802924.db2.gz QWRWFHCOXGDSFD-UONOGXRCSA-N 1 2 336.436 0.605 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC001267925488 838802932 /nfs/dbraw/zinc/80/29/32/838802932.db2.gz QWRWFHCOXGDSFD-UONOGXRCSA-N 1 2 336.436 0.605 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)nc2CC)C1 ZINC001267942836 838831203 /nfs/dbraw/zinc/83/12/03/838831203.db2.gz ODDJHBZUKUYPDB-ZIAGYGMSSA-N 1 2 345.447 0.315 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cn(C)nc2CC)C1 ZINC001267942836 838831205 /nfs/dbraw/zinc/83/12/05/838831205.db2.gz ODDJHBZUKUYPDB-ZIAGYGMSSA-N 1 2 345.447 0.315 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](CCNS(=O)(=O)CC)C2)C1 ZINC001267966805 838886149 /nfs/dbraw/zinc/88/61/49/838886149.db2.gz RTZLHKSWVULJKY-CQSZACIVSA-N 1 2 343.493 0.863 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](CCNS(=O)(=O)CC)C2)C1 ZINC001267966805 838886162 /nfs/dbraw/zinc/88/61/62/838886162.db2.gz RTZLHKSWVULJKY-CQSZACIVSA-N 1 2 343.493 0.863 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)COCc2ccnc(OC)c2)C1 ZINC001268025139 839019254 /nfs/dbraw/zinc/01/92/54/839019254.db2.gz NVKONIAWNGXNKP-INIZCTEOSA-N 1 2 349.431 1.000 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)COCc2ccnc(OC)c2)C1 ZINC001268025139 839019260 /nfs/dbraw/zinc/01/92/60/839019260.db2.gz NVKONIAWNGXNKP-INIZCTEOSA-N 1 2 349.431 1.000 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](CC(=O)NC[C@@H]3CCCO3)CC2)nc1 ZINC000050071648 214044131 /nfs/dbraw/zinc/04/41/31/214044131.db2.gz UEOSWERGXRMMSC-HNNXBMFYSA-N 1 2 329.404 0.370 20 30 ECEDLO CC[C@@H]1C[N@H+](CCNC(=O)CNC(=O)c2ccc(C#N)cc2)CCO1 ZINC000428068954 210241995 /nfs/dbraw/zinc/24/19/95/210241995.db2.gz DMMSCPVRZVCKCM-MRXNPFEDSA-N 1 2 344.415 0.515 20 30 ECEDLO CC[C@@H]1C[N@@H+](CCNC(=O)CNC(=O)c2ccc(C#N)cc2)CCO1 ZINC000428068954 210241998 /nfs/dbraw/zinc/24/19/98/210241998.db2.gz DMMSCPVRZVCKCM-MRXNPFEDSA-N 1 2 344.415 0.515 20 30 ECEDLO CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)nn1 ZINC001077910098 781925615 /nfs/dbraw/zinc/92/56/15/781925615.db2.gz CMUXXRYFSJKZQF-GDBMZVCRSA-N 1 2 340.387 0.145 20 30 ECEDLO CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)nn1 ZINC001077910098 781925622 /nfs/dbraw/zinc/92/56/22/781925622.db2.gz CMUXXRYFSJKZQF-GDBMZVCRSA-N 1 2 340.387 0.145 20 30 ECEDLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000187963314 236360758 /nfs/dbraw/zinc/36/07/58/236360758.db2.gz MXRWDZKMCVBQGZ-NSHDSACASA-N 1 2 327.381 0.384 20 30 ECEDLO Cc1nonc1CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077920293 781944511 /nfs/dbraw/zinc/94/45/11/781944511.db2.gz CNZNUFJORGCMAH-IAGOWNOFSA-N 1 2 340.383 0.134 20 30 ECEDLO Cc1nonc1CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077920293 781944521 /nfs/dbraw/zinc/94/45/21/781944521.db2.gz CNZNUFJORGCMAH-IAGOWNOFSA-N 1 2 340.383 0.134 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000336925408 284854283 /nfs/dbraw/zinc/85/42/83/284854283.db2.gz WHFPWWGOEYTYQI-AWEZNQCLSA-N 1 2 332.470 0.413 20 30 ECEDLO COc1ccc(C#N)cc1NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000267562520 251155000 /nfs/dbraw/zinc/15/50/00/251155000.db2.gz GTUKMVNQDGXOQR-AWEZNQCLSA-N 1 2 348.403 0.724 20 30 ECEDLO CN(C)C(=O)NCC[N@H+](C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000411427389 208101118 /nfs/dbraw/zinc/10/11/18/208101118.db2.gz IMYSDBUKODNMIO-HNNXBMFYSA-N 1 2 329.404 0.867 20 30 ECEDLO CN(C)C(=O)NCC[N@@H+](C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000411427389 208101128 /nfs/dbraw/zinc/10/11/28/208101128.db2.gz IMYSDBUKODNMIO-HNNXBMFYSA-N 1 2 329.404 0.867 20 30 ECEDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)CCC2 ZINC000336943909 254661538 /nfs/dbraw/zinc/66/15/38/254661538.db2.gz LUGHXWDZOYFWQV-STQMWFEESA-N 1 2 339.421 0.128 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000337201651 254667827 /nfs/dbraw/zinc/66/78/27/254667827.db2.gz GDFKHSONXINTMS-UHFFFAOYSA-N 1 2 337.449 0.992 20 30 ECEDLO COCC1(C#N)CC[NH+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1 ZINC000341987726 254681538 /nfs/dbraw/zinc/68/15/38/254681538.db2.gz HURJLNNSWWNMOT-ZDUSSCGKSA-N 1 2 336.436 0.364 20 30 ECEDLO Cn1cc([C@H]2C[C@@H]2C(=O)N(CCC#N)CC[NH+]2CCOCC2)cn1 ZINC000363376906 254743583 /nfs/dbraw/zinc/74/35/83/254743583.db2.gz SSTHKICBDGITRH-CVEARBPZSA-N 1 2 331.420 0.598 20 30 ECEDLO COc1cc2c(c(OC)c1OC)CC[N@H+](CC(=O)NCC#N)CC2 ZINC000431171158 254793180 /nfs/dbraw/zinc/79/31/80/254793180.db2.gz ZVYHNUYRFNISPN-UHFFFAOYSA-N 1 2 333.388 0.753 20 30 ECEDLO COc1cc2c(c(OC)c1OC)CC[N@@H+](CC(=O)NCC#N)CC2 ZINC000431171158 254793182 /nfs/dbraw/zinc/79/31/82/254793182.db2.gz ZVYHNUYRFNISPN-UHFFFAOYSA-N 1 2 333.388 0.753 20 30 ECEDLO COC(=O)N1CCN(c2ccc(Nc3ncncc3C#N)c[nH+]2)CC1 ZINC000496054354 255066493 /nfs/dbraw/zinc/06/64/93/255066493.db2.gz VEXHJMZOPFASDB-UHFFFAOYSA-N 1 2 339.359 0.797 20 30 ECEDLO N#Cc1ccc([C@@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)C(N)=O)cc1 ZINC000115600155 296640671 /nfs/dbraw/zinc/64/06/71/296640671.db2.gz NMNRONLLZCBYNE-VXGBXAGGSA-N 1 2 340.305 0.837 20 30 ECEDLO COCC[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)Cc1ccc(C#N)cc1 ZINC000123407225 222272353 /nfs/dbraw/zinc/27/23/53/222272353.db2.gz NXNRNTIGPBMYME-AWEZNQCLSA-N 1 2 346.431 0.600 20 30 ECEDLO COCC[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)Cc1ccc(C#N)cc1 ZINC000123407225 222272356 /nfs/dbraw/zinc/27/23/56/222272356.db2.gz NXNRNTIGPBMYME-AWEZNQCLSA-N 1 2 346.431 0.600 20 30 ECEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000301644776 269823814 /nfs/dbraw/zinc/82/38/14/269823814.db2.gz NHAYQEKGSXJKDL-NSHDSACASA-N 1 2 344.375 0.651 20 30 ECEDLO C[N@H+](CCOCCO)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000282626851 264054560 /nfs/dbraw/zinc/05/45/60/264054560.db2.gz YHBNOWBAVZDYDK-UHFFFAOYSA-N 1 2 343.387 0.623 20 30 ECEDLO C[N@@H+](CCOCCO)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000282626851 264054562 /nfs/dbraw/zinc/05/45/62/264054562.db2.gz YHBNOWBAVZDYDK-UHFFFAOYSA-N 1 2 343.387 0.623 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3F)C[C@H]21 ZINC000285425487 264311635 /nfs/dbraw/zinc/31/16/35/264311635.db2.gz XZBQHSYFIJLKSG-HUUCEWRRSA-N 1 2 346.362 0.567 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3F)C[C@H]21 ZINC000285425487 264311636 /nfs/dbraw/zinc/31/16/36/264311636.db2.gz XZBQHSYFIJLKSG-HUUCEWRRSA-N 1 2 346.362 0.567 20 30 ECEDLO Cc1nc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)ccc1C#N ZINC000195166904 270005492 /nfs/dbraw/zinc/00/54/92/270005492.db2.gz LXZRCXTWXCBDSG-UHFFFAOYSA-N 1 2 327.388 0.950 20 30 ECEDLO CCN1CCN(S(=O)(=O)c2cccnc2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000332328421 270005622 /nfs/dbraw/zinc/00/56/22/270005622.db2.gz OTTRHEHQVIHVTJ-ZDUSSCGKSA-N 1 2 346.416 0.744 20 30 ECEDLO CNS(=O)(=O)CCC[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000330868332 270005826 /nfs/dbraw/zinc/00/58/26/270005826.db2.gz WDJFBMCDPLIAKE-UHFFFAOYSA-N 1 2 343.478 0.385 20 30 ECEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(c3n[nH]c(=O)[nH]3)CC2)cc1 ZINC000343748708 270006273 /nfs/dbraw/zinc/00/62/73/270006273.db2.gz LKQVFIKYQBXNFF-ZDUSSCGKSA-N 1 2 326.360 0.788 20 30 ECEDLO COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000344476899 270006301 /nfs/dbraw/zinc/00/63/01/270006301.db2.gz NXGQEGDYTPCFBI-LLVKDONJSA-N 1 2 341.389 0.409 20 30 ECEDLO CCC[N@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H]1CC(=O)N(C)C1=O ZINC000338331886 266044417 /nfs/dbraw/zinc/04/44/17/266044417.db2.gz FJACLDDNLMCSPA-OAHLLOKOSA-N 1 2 342.399 0.644 20 30 ECEDLO CCC[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H]1CC(=O)N(C)C1=O ZINC000338331886 266044421 /nfs/dbraw/zinc/04/44/21/266044421.db2.gz FJACLDDNLMCSPA-OAHLLOKOSA-N 1 2 342.399 0.644 20 30 ECEDLO CC[N@H+](CCC(=O)OC)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290267854 266122921 /nfs/dbraw/zinc/12/29/21/266122921.db2.gz LHDFBVFBFSHGFU-UHFFFAOYSA-N 1 2 325.390 0.612 20 30 ECEDLO CC[N@@H+](CCC(=O)OC)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290267854 266122922 /nfs/dbraw/zinc/12/29/22/266122922.db2.gz LHDFBVFBFSHGFU-UHFFFAOYSA-N 1 2 325.390 0.612 20 30 ECEDLO C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352036526 267105535 /nfs/dbraw/zinc/10/55/35/267105535.db2.gz HIRQXDUVQPJMHM-COXVUDFISA-N 1 2 328.416 0.880 20 30 ECEDLO C[C@H](C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)[NH+]1CCOCC1 ZINC000362690183 267128449 /nfs/dbraw/zinc/12/84/49/267128449.db2.gz PCQWFYOQRBEWIV-ZIAGYGMSSA-N 1 2 344.419 0.106 20 30 ECEDLO C[C@H](C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1)c1cccc(C#N)c1 ZINC000360712424 267128494 /nfs/dbraw/zinc/12/84/94/267128494.db2.gz HXQKKUBMHPXEFL-BBRMVZONSA-N 1 2 344.415 0.306 20 30 ECEDLO C[C@H](C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1)c1cccc(C#N)c1 ZINC000360712424 267128497 /nfs/dbraw/zinc/12/84/97/267128497.db2.gz HXQKKUBMHPXEFL-BBRMVZONSA-N 1 2 344.415 0.306 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000291440993 267157877 /nfs/dbraw/zinc/15/78/77/267157877.db2.gz ZGDIBYVWZSHEDR-GFCCVEGCSA-N 1 2 348.378 0.815 20 30 ECEDLO C[C@H]1NC(=O)N(CC[NH+]2CCN(c3cccc(F)c3C#N)CC2)C1=O ZINC000332150667 267243442 /nfs/dbraw/zinc/24/34/42/267243442.db2.gz QDSUWJLHFOWACI-GFCCVEGCSA-N 1 2 345.378 0.760 20 30 ECEDLO N#Cc1ccc(CCC(=O)NCC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000347922820 268059642 /nfs/dbraw/zinc/05/96/42/268059642.db2.gz SJFGUEVVIMFDBA-UHFFFAOYSA-N 1 2 344.415 0.055 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000529752965 268124588 /nfs/dbraw/zinc/12/45/88/268124588.db2.gz QDNIOCOQFMQJJN-QGZVFWFLSA-N 1 2 332.404 0.242 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000529752965 268124589 /nfs/dbraw/zinc/12/45/89/268124589.db2.gz QDNIOCOQFMQJJN-QGZVFWFLSA-N 1 2 332.404 0.242 20 30 ECEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](C(=O)C3CC3)C2)cc1 ZINC000360970284 268176706 /nfs/dbraw/zinc/17/67/06/268176706.db2.gz ZDQCFERHNNQARD-DOTOQJQBSA-N 1 2 330.384 0.978 20 30 ECEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](C(=O)C3CC3)C2)cc1 ZINC000360970284 268176710 /nfs/dbraw/zinc/17/67/10/268176710.db2.gz ZDQCFERHNNQARD-DOTOQJQBSA-N 1 2 330.384 0.978 20 30 ECEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)NC[C@H]3CCCO3)C2)nc1 ZINC000292128830 268181694 /nfs/dbraw/zinc/18/16/94/268181694.db2.gz INKSVZQLPLQXFT-HUUCEWRRSA-N 1 2 330.388 0.702 20 30 ECEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)NC[C@H]3CCCO3)C2)nc1 ZINC000292128830 268181696 /nfs/dbraw/zinc/18/16/96/268181696.db2.gz INKSVZQLPLQXFT-HUUCEWRRSA-N 1 2 330.388 0.702 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](OCCO)C2)nc1 ZINC000343680378 268187237 /nfs/dbraw/zinc/18/72/37/268187237.db2.gz FJZSWKAANQEGEM-AWEZNQCLSA-N 1 2 339.417 0.200 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](OCCO)C2)nc1 ZINC000343680378 268187240 /nfs/dbraw/zinc/18/72/40/268187240.db2.gz FJZSWKAANQEGEM-AWEZNQCLSA-N 1 2 339.417 0.200 20 30 ECEDLO N#Cc1cccc(-n2ccc(C(=O)N3CC[NH+](CCO)CC3)n2)c1 ZINC000342514920 268230219 /nfs/dbraw/zinc/23/02/19/268230219.db2.gz MKJKDMDJMYMLLN-UHFFFAOYSA-N 1 2 325.372 0.494 20 30 ECEDLO Cc1onc(CC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)c1C#N ZINC000354356290 437594093 /nfs/dbraw/zinc/59/40/93/437594093.db2.gz ATJVLFZQUOXCAC-UHFFFAOYSA-N 1 2 341.371 0.945 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000339892212 277853323 /nfs/dbraw/zinc/85/33/23/277853323.db2.gz CXZCOFXPLFCJRH-OAHLLOKOSA-N 1 2 341.452 0.120 20 30 ECEDLO C=C[C@H](CO)NC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000356838984 277911795 /nfs/dbraw/zinc/91/17/95/277911795.db2.gz QBXVYAQTPBPHDQ-AXAPSJFSSA-N 1 2 332.404 0.525 20 30 ECEDLO C[C@H](CS(C)(=O)=O)N(C)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000330732729 437601482 /nfs/dbraw/zinc/60/14/82/437601482.db2.gz JSRREZIJGIDOMC-LLVKDONJSA-N 1 2 328.438 0.998 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000330811793 280102489 /nfs/dbraw/zinc/10/24/89/280102489.db2.gz DWCJUAFQBXNHCF-MBNYWOFBSA-N 1 2 330.454 0.182 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000330811793 280102493 /nfs/dbraw/zinc/10/24/93/280102493.db2.gz DWCJUAFQBXNHCF-MBNYWOFBSA-N 1 2 330.454 0.182 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)[C@@H](C)C1 ZINC000408404515 290115586 /nfs/dbraw/zinc/11/55/86/290115586.db2.gz OMCDBXYGLJFHOR-QWRGUYRKSA-N 1 2 329.447 0.695 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)[C@@H](C)C1 ZINC000408404515 290115587 /nfs/dbraw/zinc/11/55/87/290115587.db2.gz OMCDBXYGLJFHOR-QWRGUYRKSA-N 1 2 329.447 0.695 20 30 ECEDLO Cc1nnc([C@@H]2CCCN(C(=O)N[C@H](C)C[NH+]3CCOCC3)C2)[nH]1 ZINC000330063766 293367255 /nfs/dbraw/zinc/36/72/55/293367255.db2.gz BSGZFIYIJKOJPY-TZMCWYRMSA-N 1 2 336.440 0.927 20 30 ECEDLO C[C@H](CS(C)(=O)=O)NC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000331039196 298823878 /nfs/dbraw/zinc/82/38/78/298823878.db2.gz PFAZUFWGCQEVOA-NEPJUHHUSA-N 1 2 343.453 0.056 20 30 ECEDLO CNC(=O)NC(=O)[C@@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023258376 436125161 /nfs/dbraw/zinc/12/51/61/436125161.db2.gz QZPLLHHGBIQSRI-CYBMUJFWSA-N 1 2 329.404 0.520 20 30 ECEDLO CNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000023258376 436125167 /nfs/dbraw/zinc/12/51/67/436125167.db2.gz QZPLLHHGBIQSRI-CYBMUJFWSA-N 1 2 329.404 0.520 20 30 ECEDLO C[C@@H]1CN(C(=O)C[NH+]2CCN(c3cc(C#N)ccn3)CC2)C[C@H](C)O1 ZINC000029447214 436202429 /nfs/dbraw/zinc/20/24/29/436202429.db2.gz RYIOFOOOBFZJGQ-GASCZTMLSA-N 1 2 343.431 0.711 20 30 ECEDLO C#CCNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000038400635 436260762 /nfs/dbraw/zinc/26/07/62/436260762.db2.gz HQNDFXDTZPGYPG-UHFFFAOYSA-N 1 2 338.389 0.576 20 30 ECEDLO CCn1nc2c(cc1=O)C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC2 ZINC000078619201 436274093 /nfs/dbraw/zinc/27/40/93/436274093.db2.gz PMSFWEXRFHGLLW-QGZVFWFLSA-N 1 2 329.404 0.430 20 30 ECEDLO CCn1nc2c(cc1=O)C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC2 ZINC000078619201 436274097 /nfs/dbraw/zinc/27/40/97/436274097.db2.gz PMSFWEXRFHGLLW-QGZVFWFLSA-N 1 2 329.404 0.430 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC000079844544 436305886 /nfs/dbraw/zinc/30/58/86/436305886.db2.gz KJSRRXUKTUOGOB-AWEZNQCLSA-N 1 2 331.420 0.589 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)/C=C/c1cccc(C#N)c1 ZINC000082985658 436365202 /nfs/dbraw/zinc/36/52/02/436365202.db2.gz LYMHYIOGKYTYTE-FUTAKVPZSA-N 1 2 329.400 0.723 20 30 ECEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000083128622 436368603 /nfs/dbraw/zinc/36/86/03/436368603.db2.gz KUMBWEUBDLGHDY-KRWDZBQOSA-N 1 2 344.415 0.478 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(CC(=O)NCCCC)CC1 ZINC000049976433 436472760 /nfs/dbraw/zinc/47/27/60/436472760.db2.gz ASNAKVBVRKVGKT-UHFFFAOYSA-N 1 2 338.496 0.945 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000104132923 436557587 /nfs/dbraw/zinc/55/75/87/436557587.db2.gz ZILYBJAHVIJMRO-UHFFFAOYSA-N 1 2 339.399 0.460 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000104132923 436557591 /nfs/dbraw/zinc/55/75/91/436557591.db2.gz ZILYBJAHVIJMRO-UHFFFAOYSA-N 1 2 339.399 0.460 20 30 ECEDLO C=CCN(CC=C)C(=O)CN1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000054994566 436562519 /nfs/dbraw/zinc/56/25/19/436562519.db2.gz TZURHSCWEHDCJF-OAHLLOKOSA-N 1 2 334.464 0.472 20 30 ECEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000054994566 436562523 /nfs/dbraw/zinc/56/25/23/436562523.db2.gz TZURHSCWEHDCJF-OAHLLOKOSA-N 1 2 334.464 0.472 20 30 ECEDLO CC(C)CNC(=O)CON=C(N)c1cccc(C[NH+]2CCOCC2)c1 ZINC000060197385 436632662 /nfs/dbraw/zinc/63/26/62/436632662.db2.gz CWDXPWAZQVUXBZ-UHFFFAOYSA-N 1 2 348.447 0.928 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(SC)o2)CC1 ZINC000112904669 436634407 /nfs/dbraw/zinc/63/44/07/436634407.db2.gz FHBGICOFWOFSRJ-UHFFFAOYSA-N 1 2 335.429 0.899 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(SC)o2)CC1 ZINC000112904669 436634409 /nfs/dbraw/zinc/63/44/09/436634409.db2.gz FHBGICOFWOFSRJ-UHFFFAOYSA-N 1 2 335.429 0.899 20 30 ECEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)COc2ccc(C#N)cc2)CC1 ZINC000063770824 436645859 /nfs/dbraw/zinc/64/58/59/436645859.db2.gz XOYUKMIVBVRILU-UHFFFAOYSA-N 1 2 344.415 0.607 20 30 ECEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)COc2ccc(C#N)cc2)CC1 ZINC000063770824 436645861 /nfs/dbraw/zinc/64/58/61/436645861.db2.gz XOYUKMIVBVRILU-UHFFFAOYSA-N 1 2 344.415 0.607 20 30 ECEDLO C#CCN(CC)C(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000269303035 436656662 /nfs/dbraw/zinc/65/66/62/436656662.db2.gz YVLKZSLURQNJLQ-UHFFFAOYSA-N 1 2 330.388 0.647 20 30 ECEDLO C#CC[N@@H+](C[C@H](O)COc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000066538233 436688315 /nfs/dbraw/zinc/68/83/15/436688315.db2.gz JBESXHASBRQEQH-CVEARBPZSA-N 1 2 337.441 0.857 20 30 ECEDLO C#CC[N@H+](C[C@H](O)COc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000066538233 436688319 /nfs/dbraw/zinc/68/83/19/436688319.db2.gz JBESXHASBRQEQH-CVEARBPZSA-N 1 2 337.441 0.857 20 30 ECEDLO C=CCN(CC=C)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000151362666 436701946 /nfs/dbraw/zinc/70/19/46/436701946.db2.gz AMNGGTXGRBEAEW-UHFFFAOYSA-N 1 2 347.419 0.354 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000270761933 436675763 /nfs/dbraw/zinc/67/57/63/436675763.db2.gz YENMWOQRGQSXRX-ZIAGYGMSSA-N 1 2 339.436 0.411 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000270761933 436675767 /nfs/dbraw/zinc/67/57/67/436675767.db2.gz YENMWOQRGQSXRX-ZIAGYGMSSA-N 1 2 339.436 0.411 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000120240928 436682803 /nfs/dbraw/zinc/68/28/03/436682803.db2.gz YTXCTYPKRWCUPQ-ZFWWWQNUSA-N 1 2 343.493 0.956 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000120240928 436682805 /nfs/dbraw/zinc/68/28/05/436682805.db2.gz YTXCTYPKRWCUPQ-ZFWWWQNUSA-N 1 2 343.493 0.956 20 30 ECEDLO C=CCC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000122667849 436736851 /nfs/dbraw/zinc/73/68/51/436736851.db2.gz OGOFMMCTJUNXJM-AWEZNQCLSA-N 1 2 325.434 0.715 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](S(=O)(=O)NCC)C1 ZINC000245542170 436763934 /nfs/dbraw/zinc/76/39/34/436763934.db2.gz RAGWOIXWXSARRX-ZIAGYGMSSA-N 1 2 329.466 0.589 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@H](S(=O)(=O)NCC)C1 ZINC000245542170 436763936 /nfs/dbraw/zinc/76/39/36/436763936.db2.gz RAGWOIXWXSARRX-ZIAGYGMSSA-N 1 2 329.466 0.589 20 30 ECEDLO COc1ccc(CNC(=O)[C@H](C)O[NH+]=C(N)CCO)cc1OC ZINC000274328152 436817034 /nfs/dbraw/zinc/81/70/34/436817034.db2.gz FFUCLXMIFMNYEQ-JTQLQIEISA-N 1 2 325.365 0.380 20 30 ECEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCNC(=O)[C@@H]2C)c(OC)c1 ZINC000245918786 436770264 /nfs/dbraw/zinc/77/02/64/436770264.db2.gz SDHVLOIMBXUSGK-DZGCQCFKSA-N 1 2 334.416 0.984 20 30 ECEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCNC(=O)[C@@H]2C)c(OC)c1 ZINC000245918786 436770267 /nfs/dbraw/zinc/77/02/67/436770267.db2.gz SDHVLOIMBXUSGK-DZGCQCFKSA-N 1 2 334.416 0.984 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1F)[C@H]1C[N@H+](C)CCO1 ZINC000125894000 436777734 /nfs/dbraw/zinc/77/77/34/436777734.db2.gz HHDKLBWVRLKODK-ZWNOBZJWSA-N 1 2 327.381 0.695 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000125894000 436777737 /nfs/dbraw/zinc/77/77/37/436777737.db2.gz HHDKLBWVRLKODK-ZWNOBZJWSA-N 1 2 327.381 0.695 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCO[C@H](C)[C@H]3C)CC2)o1 ZINC000246545677 436781468 /nfs/dbraw/zinc/78/14/68/436781468.db2.gz AUIXPEDMOURJLC-CHWSQXEVSA-N 1 2 347.419 0.613 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCO[C@H](C)[C@H]3C)CC2)o1 ZINC000246545677 436781471 /nfs/dbraw/zinc/78/14/71/436781471.db2.gz AUIXPEDMOURJLC-CHWSQXEVSA-N 1 2 347.419 0.613 20 30 ECEDLO C=CCCS(=O)(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000130419540 436839177 /nfs/dbraw/zinc/83/91/77/436839177.db2.gz SNOWDTXIEONOLN-UHFFFAOYSA-N 1 2 331.482 0.768 20 30 ECEDLO C=CCCS(=O)(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000130419540 436839182 /nfs/dbraw/zinc/83/91/82/436839182.db2.gz SNOWDTXIEONOLN-UHFFFAOYSA-N 1 2 331.482 0.768 20 30 ECEDLO N#Cc1ccc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)[nH]1 ZINC000159147736 436853872 /nfs/dbraw/zinc/85/38/72/436853872.db2.gz HDDASXNMEBHNDP-UHFFFAOYSA-N 1 2 325.376 0.228 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(CC(=O)OC)c2)CC1 ZINC000129318598 436825314 /nfs/dbraw/zinc/82/53/14/436825314.db2.gz ZXLYTUDHHCVYAH-UHFFFAOYSA-N 1 2 329.400 0.591 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH+]1CCN(c2nc(C)c(C)s2)CC1 ZINC000157546188 436830091 /nfs/dbraw/zinc/83/00/91/436830091.db2.gz MBWYJQWPBYNLPM-UHFFFAOYSA-N 1 2 337.449 0.894 20 30 ECEDLO C[C@@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@@H]1n1cc[nH+]c1 ZINC000134035675 436889189 /nfs/dbraw/zinc/88/91/89/436889189.db2.gz JYMKPVWIOINKST-YPMHNXCESA-N 1 2 328.376 0.240 20 30 ECEDLO Cn1cc[nH+]c1[C@H]1CN(S(=O)(=O)CC(C)(C)CC#N)CCN1C ZINC000295127602 436963402 /nfs/dbraw/zinc/96/34/02/436963402.db2.gz KPMPZIPBXFWAHR-CYBMUJFWSA-N 1 2 339.465 0.978 20 30 ECEDLO CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000170846823 436957588 /nfs/dbraw/zinc/95/75/88/436957588.db2.gz JGONESQAQROHRJ-UHFFFAOYSA-N 1 2 330.388 0.724 20 30 ECEDLO CC1(C)COCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000170846823 436957595 /nfs/dbraw/zinc/95/75/95/436957595.db2.gz JGONESQAQROHRJ-UHFFFAOYSA-N 1 2 330.388 0.724 20 30 ECEDLO CO/N=C/C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000282928743 437021320 /nfs/dbraw/zinc/02/13/20/437021320.db2.gz FSRYTVDRPCZECO-RVDMUPIBSA-N 1 2 340.405 0.193 20 30 ECEDLO C#CCNC(=O)c1ccc(NCC[N@H+]2CCN(C)C(C)(C)C2)nc1 ZINC000281589837 436983510 /nfs/dbraw/zinc/98/35/10/436983510.db2.gz GWVXKGLECWBVCQ-UHFFFAOYSA-N 1 2 329.448 0.883 20 30 ECEDLO C#CCNC(=O)c1ccc(NCC[N@@H+]2CCN(C)C(C)(C)C2)nc1 ZINC000281589837 436983512 /nfs/dbraw/zinc/98/35/12/436983512.db2.gz GWVXKGLECWBVCQ-UHFFFAOYSA-N 1 2 329.448 0.883 20 30 ECEDLO CC(=O)NC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CCO1 ZINC000172183514 437001779 /nfs/dbraw/zinc/00/17/79/437001779.db2.gz AUJIOEATUBVIGX-OAHLLOKOSA-N 1 2 330.388 0.724 20 30 ECEDLO CC(=O)NC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)CCO1 ZINC000172183514 437001782 /nfs/dbraw/zinc/00/17/82/437001782.db2.gz AUJIOEATUBVIGX-OAHLLOKOSA-N 1 2 330.388 0.724 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000281853048 437002535 /nfs/dbraw/zinc/00/25/35/437002535.db2.gz BJPQVILFHYQBOT-STQMWFEESA-N 1 2 340.453 0.045 20 30 ECEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](CNC(C)=O)C1 ZINC000172238544 437005455 /nfs/dbraw/zinc/00/54/55/437005455.db2.gz SBDXCEQLNVMJTE-ROUUACIJSA-N 1 2 348.443 0.992 20 30 ECEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](CNC(C)=O)C1 ZINC000172238544 437005458 /nfs/dbraw/zinc/00/54/58/437005458.db2.gz SBDXCEQLNVMJTE-ROUUACIJSA-N 1 2 348.443 0.992 20 30 ECEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2nccnc2C#N)CC1 ZINC000263946398 437007240 /nfs/dbraw/zinc/00/72/40/437007240.db2.gz YPXXGNFPYWJWGA-AWEZNQCLSA-N 1 2 328.420 0.871 20 30 ECEDLO C#CCN(CC)C(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000299187828 437059780 /nfs/dbraw/zinc/05/97/80/437059780.db2.gz AVKFJMSEWJEFIY-UHFFFAOYSA-N 1 2 329.400 0.939 20 30 ECEDLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)/C=C/c2ccc(C#N)cc2)CCO1 ZINC000276207490 437073329 /nfs/dbraw/zinc/07/33/29/437073329.db2.gz CZRCZMFWLCYUBZ-MOEXGYKKSA-N 1 2 342.399 0.216 20 30 ECEDLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)/C=C/c2ccc(C#N)cc2)CCO1 ZINC000276207490 437073332 /nfs/dbraw/zinc/07/33/32/437073332.db2.gz CZRCZMFWLCYUBZ-MOEXGYKKSA-N 1 2 342.399 0.216 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000285489613 437078958 /nfs/dbraw/zinc/07/89/58/437078958.db2.gz DMALXWGSUMPQJU-AWEZNQCLSA-N 1 2 329.466 0.543 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000285489613 437078961 /nfs/dbraw/zinc/07/89/61/437078961.db2.gz DMALXWGSUMPQJU-AWEZNQCLSA-N 1 2 329.466 0.543 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C(C)C)nn2C)CC1 ZINC000174194118 437076770 /nfs/dbraw/zinc/07/67/70/437076770.db2.gz PXHYMEWRJACMRX-UHFFFAOYSA-N 1 2 345.447 0.441 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C(C)C)nn2C)CC1 ZINC000174194118 437076772 /nfs/dbraw/zinc/07/67/72/437076772.db2.gz PXHYMEWRJACMRX-UHFFFAOYSA-N 1 2 345.447 0.441 20 30 ECEDLO C#CCNc1nc(N(C)[C@H](C)COC)nc(N(C)[C@@H](C)COC)[nH+]1 ZINC000286221072 437087516 /nfs/dbraw/zinc/08/75/16/437087516.db2.gz GYNHCBJDCQWQSX-BETUJISGSA-N 1 2 336.440 0.859 20 30 ECEDLO C#CCNc1nc(N(C)[C@@H](C)COC)nc(N(C)[C@H](C)COC)[nH+]1 ZINC000286221072 437087521 /nfs/dbraw/zinc/08/75/21/437087521.db2.gz GYNHCBJDCQWQSX-BETUJISGSA-N 1 2 336.440 0.859 20 30 ECEDLO CN(C1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1)S(C)(=O)=O ZINC000331798612 437161657 /nfs/dbraw/zinc/16/16/57/437161657.db2.gz DROCNLMAWZRZER-HNNXBMFYSA-N 1 2 342.465 0.151 20 30 ECEDLO Cn1c[nH+]cc1CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000176986723 437162847 /nfs/dbraw/zinc/16/28/47/437162847.db2.gz KHCXEMPYLLRUGW-UHFFFAOYSA-N 1 2 345.428 0.798 20 30 ECEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000287746638 437227841 /nfs/dbraw/zinc/22/78/41/437227841.db2.gz AOMZIBFRTAJPSA-BBRMVZONSA-N 1 2 342.399 0.818 20 30 ECEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000287746653 437228457 /nfs/dbraw/zinc/22/84/57/437228457.db2.gz AOMZIBFRTAJPSA-XJKSGUPXSA-N 1 2 342.399 0.818 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c1 ZINC000325831400 437233360 /nfs/dbraw/zinc/23/33/60/437233360.db2.gz VDKAPSXPUBVCGB-GOEBONIOSA-N 1 2 347.440 0.932 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c1 ZINC000325831400 437233365 /nfs/dbraw/zinc/23/33/65/437233365.db2.gz VDKAPSXPUBVCGB-GOEBONIOSA-N 1 2 347.440 0.932 20 30 ECEDLO CC(C)(C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC000328679538 437250971 /nfs/dbraw/zinc/25/09/71/437250971.db2.gz MZTFLJQMKCREGS-GFCCVEGCSA-N 1 2 333.454 0.335 20 30 ECEDLO CS(=O)(=O)N1CCC(C[NH+]=C([O-])N2CCn3cc[nH+]c3C2)CC1 ZINC000328711130 437254206 /nfs/dbraw/zinc/25/42/06/437254206.db2.gz BWRHXKIIISXRJW-UHFFFAOYSA-N 1 2 341.437 0.284 20 30 ECEDLO C#CCNc1nc(N2CC[C@H](OC)C2)nc(N2CC[C@H](OC)C2)[nH+]1 ZINC000288276391 437303903 /nfs/dbraw/zinc/30/39/03/437303903.db2.gz HDAMPMVVKVPEKT-STQMWFEESA-N 1 2 332.408 0.367 20 30 ECEDLO C#CCNc1nc(N2CC[C@H](OC)C2)[nH+]c(N2CC[C@H](OC)C2)n1 ZINC000288276391 437303910 /nfs/dbraw/zinc/30/39/10/437303910.db2.gz HDAMPMVVKVPEKT-STQMWFEESA-N 1 2 332.408 0.367 20 30 ECEDLO C[C@H](CNC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1)[NH+]1CCOCC1 ZINC000329098354 437317685 /nfs/dbraw/zinc/31/76/85/437317685.db2.gz CTNSSFIUDNGQOI-FMKPAKJESA-N 1 2 327.425 0.549 20 30 ECEDLO CN1CC[NH+]([C@@H]2CCCCN(S(=O)(=O)CCCC#N)C2)CC1 ZINC000179677168 437270680 /nfs/dbraw/zinc/27/06/80/437270680.db2.gz JTFZXPQKGSMERP-OAHLLOKOSA-N 1 2 328.482 0.722 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCC3([S@](C)=O)CCC3)C[C@@H]21 ZINC000328886822 437278895 /nfs/dbraw/zinc/27/88/95/437278895.db2.gz PBOFSSKUCJONPW-SASJJMKUSA-N 1 2 329.466 0.607 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCC3([S@](C)=O)CCC3)C[C@@H]21 ZINC000328886822 437278898 /nfs/dbraw/zinc/27/88/98/437278898.db2.gz PBOFSSKUCJONPW-SASJJMKUSA-N 1 2 329.466 0.607 20 30 ECEDLO Cc1nsc(N2CC[NH+](CCN3C(=O)CCC3=O)CC2)c1C#N ZINC000288107156 437279557 /nfs/dbraw/zinc/27/95/57/437279557.db2.gz KIAJZECXLBJKOM-UHFFFAOYSA-N 1 2 333.417 0.594 20 30 ECEDLO O=C(C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)NCC(=O)N1CCCC1 ZINC000328963251 437294768 /nfs/dbraw/zinc/29/47/68/437294768.db2.gz LJHWMORWGFFNTB-RRFJBIMHSA-N 1 2 339.436 0.427 20 30 ECEDLO O=C(C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)NCC(=O)N1CCCC1 ZINC000328963251 437294770 /nfs/dbraw/zinc/29/47/70/437294770.db2.gz LJHWMORWGFFNTB-RRFJBIMHSA-N 1 2 339.436 0.427 20 30 ECEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCc2ccn(C)n2)CC1 ZINC000329007986 437302271 /nfs/dbraw/zinc/30/22/71/437302271.db2.gz ZOJQWAMLEUNVSC-CQSZACIVSA-N 1 2 348.451 0.463 20 30 ECEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000329304862 437349106 /nfs/dbraw/zinc/34/91/06/437349106.db2.gz ANHPRCFRCYCPHI-NUEKZKHPSA-N 1 2 349.435 0.464 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337387293 437357412 /nfs/dbraw/zinc/35/74/12/437357412.db2.gz FTKQACFVCMLYGY-KBPBESRZSA-N 1 2 329.466 0.894 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337387293 437357415 /nfs/dbraw/zinc/35/74/15/437357415.db2.gz FTKQACFVCMLYGY-KBPBESRZSA-N 1 2 329.466 0.894 20 30 ECEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279099614 437374082 /nfs/dbraw/zinc/37/40/82/437374082.db2.gz QOSIDAGFXZKHNM-DIFFPNOSSA-N 1 2 341.371 0.559 20 30 ECEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279099614 437374085 /nfs/dbraw/zinc/37/40/85/437374085.db2.gz QOSIDAGFXZKHNM-DIFFPNOSSA-N 1 2 341.371 0.559 20 30 ECEDLO CC[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C[C@@H](C)S1(=O)=O ZINC000329228279 437337097 /nfs/dbraw/zinc/33/70/97/437337097.db2.gz IMYULRMYAAIYDB-MGPQQGTHSA-N 1 2 346.497 0.044 20 30 ECEDLO CC[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C[C@@H](C)S1(=O)=O ZINC000329228279 437337102 /nfs/dbraw/zinc/33/71/02/437337102.db2.gz IMYULRMYAAIYDB-MGPQQGTHSA-N 1 2 346.497 0.044 20 30 ECEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000329236807 437339206 /nfs/dbraw/zinc/33/92/06/437339206.db2.gz ONMJVJOTAQQXQB-LBPRGKRZSA-N 1 2 345.403 0.304 20 30 ECEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000329236807 437339210 /nfs/dbraw/zinc/33/92/10/437339210.db2.gz ONMJVJOTAQQXQB-LBPRGKRZSA-N 1 2 345.403 0.304 20 30 ECEDLO CCC[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@H]1CC(=O)N(C)C1=O ZINC000338328162 437405343 /nfs/dbraw/zinc/40/53/43/437405343.db2.gz NXRKTEHVPXLUDV-ZDUSSCGKSA-N 1 2 334.420 0.798 20 30 ECEDLO CCC[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@H]1CC(=O)N(C)C1=O ZINC000338328162 437405346 /nfs/dbraw/zinc/40/53/46/437405346.db2.gz NXRKTEHVPXLUDV-ZDUSSCGKSA-N 1 2 334.420 0.798 20 30 ECEDLO C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329756000 437409622 /nfs/dbraw/zinc/40/96/22/437409622.db2.gz YKYUAZTZLVIVCV-CMPLNLGQSA-N 1 2 326.422 0.936 20 30 ECEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000329782822 437413365 /nfs/dbraw/zinc/41/33/65/437413365.db2.gz OBFHMMSIQHYIFK-VXGBXAGGSA-N 1 2 326.422 0.701 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(O)cc2)CC1 ZINC000268422084 437414233 /nfs/dbraw/zinc/41/42/33/437414233.db2.gz PKDZUFNYXHUBKE-UHFFFAOYSA-N 1 2 329.400 0.218 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(O)cc2)CC1 ZINC000268422084 437414237 /nfs/dbraw/zinc/41/42/37/437414237.db2.gz PKDZUFNYXHUBKE-UHFFFAOYSA-N 1 2 329.400 0.218 20 30 ECEDLO CN(C)C(=O)C[NH+]1CCC(NC([O-])=[NH+][C@@H]2CCc3c[nH]nc3C2)CC1 ZINC000329847422 437420426 /nfs/dbraw/zinc/42/04/26/437420426.db2.gz RAXVCZNFILFBBS-CQSZACIVSA-N 1 2 348.451 0.323 20 30 ECEDLO CC(C)c1nnc(CNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)s1 ZINC000329845187 437420535 /nfs/dbraw/zinc/42/05/35/437420535.db2.gz QELSQCHASWMWGY-LLVKDONJSA-N 1 2 326.470 0.911 20 30 ECEDLO CC(C)c1nnc(CNC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)s1 ZINC000329845187 437420538 /nfs/dbraw/zinc/42/05/38/437420538.db2.gz QELSQCHASWMWGY-LLVKDONJSA-N 1 2 326.470 0.911 20 30 ECEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCS(=O)(=O)CC1)CCC2 ZINC000329848114 437420715 /nfs/dbraw/zinc/42/07/15/437420715.db2.gz YUXCTNRVLINYDS-LBPRGKRZSA-N 1 2 326.422 0.713 20 30 ECEDLO C=CCc1ccccc1OC[C@H](O)C[NH+]1CC(NC(=O)COC)C1 ZINC000185093682 437424198 /nfs/dbraw/zinc/42/41/98/437424198.db2.gz MUHXNBVNCJTOKT-MRXNPFEDSA-N 1 2 334.416 0.602 20 30 ECEDLO CC(C)(CNC(=O)CN1CCO[C@@]2(CCOC2)C1)[NH+]1CCOCC1 ZINC000329886197 437425194 /nfs/dbraw/zinc/42/51/94/437425194.db2.gz VTNVHRLCNRCLHE-KRWDZBQOSA-N 1 2 341.452 0.545 20 30 ECEDLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCC(=O)CC1 ZINC000329882988 437425645 /nfs/dbraw/zinc/42/56/45/437425645.db2.gz QNRNIDBOGJDRKH-AWEZNQCLSA-N 1 2 337.420 0.635 20 30 ECEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCO[C@]3(CCOC3)C2)C1 ZINC000329889919 437426099 /nfs/dbraw/zinc/42/60/99/437426099.db2.gz FISSQWYZUMMFGQ-GDBMZVCRSA-N 1 2 325.409 0.445 20 30 ECEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCO[C@]3(CCOC3)C2)C1 ZINC000329889919 437426105 /nfs/dbraw/zinc/42/61/05/437426105.db2.gz FISSQWYZUMMFGQ-GDBMZVCRSA-N 1 2 325.409 0.445 20 30 ECEDLO O=S1(=O)CCC[C@H](NC([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329910314 437428951 /nfs/dbraw/zinc/42/89/51/437428951.db2.gz VSGMPURDPOFSIA-RYUDHWBXSA-N 1 2 326.422 0.526 20 30 ECEDLO O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N[C@H]1CCCS(=O)(=O)C1 ZINC000329910314 437428954 /nfs/dbraw/zinc/42/89/54/437428954.db2.gz VSGMPURDPOFSIA-RYUDHWBXSA-N 1 2 326.422 0.526 20 30 ECEDLO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1nnc2n1CCC2 ZINC000329544579 437381935 /nfs/dbraw/zinc/38/19/35/437381935.db2.gz GDDAMNHYTMDEAI-KBPBESRZSA-N 1 2 348.451 0.996 20 30 ECEDLO Cn1ncc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1C(F)(F)F ZINC000329540414 437381992 /nfs/dbraw/zinc/38/19/92/437381992.db2.gz WOEWEBPWKDABNK-VHSXEESVSA-N 1 2 333.314 0.999 20 30 ECEDLO Cn1ncc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1C(F)(F)F ZINC000329540414 437381996 /nfs/dbraw/zinc/38/19/96/437381996.db2.gz WOEWEBPWKDABNK-VHSXEESVSA-N 1 2 333.314 0.999 20 30 ECEDLO C[C@H](NC(=O)NC[C@H](O)C1CCOCC1)[C@H](C)[NH+]1CCOCC1 ZINC000329546422 437382087 /nfs/dbraw/zinc/38/20/87/437382087.db2.gz BVRQUWGHEIQADI-YDHLFZDLSA-N 1 2 329.441 0.387 20 30 ECEDLO C=CCn1c(CC2CC2)nnc1N1CC[NH+](CC(=O)NCC)CC1 ZINC000337901916 437383029 /nfs/dbraw/zinc/38/30/29/437383029.db2.gz JQJVCFNYYUDBBZ-UHFFFAOYSA-N 1 2 332.452 0.675 20 30 ECEDLO O=C(NC[C@H]1CCCCS1(=O)=O)N1CC[NH+](CC2CC2)CC1 ZINC000329586410 437387053 /nfs/dbraw/zinc/38/70/53/437387053.db2.gz WTTJXBZJVZMRGW-CQSZACIVSA-N 1 2 329.466 0.895 20 30 ECEDLO N#Cc1ccnc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC000289171255 437387100 /nfs/dbraw/zinc/38/71/00/437387100.db2.gz QMLQDYPGIZCDLX-UHFFFAOYSA-N 1 2 326.360 0.734 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183742659 437389905 /nfs/dbraw/zinc/38/99/05/437389905.db2.gz XGIVMKFWUDXBFN-ZFWWWQNUSA-N 1 2 341.477 0.451 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183742659 437389908 /nfs/dbraw/zinc/38/99/08/437389908.db2.gz XGIVMKFWUDXBFN-ZFWWWQNUSA-N 1 2 341.477 0.451 20 30 ECEDLO N#CC1(CS(=O)(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC1 ZINC000183789408 437390216 /nfs/dbraw/zinc/39/02/16/437390216.db2.gz IVCWBYKRJKABJL-UHFFFAOYSA-N 1 2 336.417 0.641 20 30 ECEDLO CC(C)(CNC(=O)CN1CCSC[C@@H]1CO)[NH+]1CCOCC1 ZINC000329665760 437399076 /nfs/dbraw/zinc/39/90/76/437399076.db2.gz QXAIACLHOIFSDB-ZDUSSCGKSA-N 1 2 331.482 0.463 20 30 ECEDLO C[C@@H](CNC(=O)N1CCS(=O)(=O)C(C)(C)C1)C[NH+]1CCOCC1 ZINC000329692571 437401604 /nfs/dbraw/zinc/40/16/04/437401604.db2.gz DUKDUGCQHMMOQR-ZDUSSCGKSA-N 1 2 347.481 0.378 20 30 ECEDLO CNS(=O)(=O)C1CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000339498376 437469501 /nfs/dbraw/zinc/46/95/01/437469501.db2.gz QVYIFTTYWZTADV-IUODEOHRSA-N 1 2 344.481 0.443 20 30 ECEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[S@](=O)C[C@H](C)C2)C1 ZINC000330328032 437484629 /nfs/dbraw/zinc/48/46/29/437484629.db2.gz LJLFLYNKRLBAFG-OQQHHNTDSA-N 1 2 329.466 0.654 20 30 ECEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[S@](=O)C[C@H](C)C2)C1 ZINC000330328032 437484633 /nfs/dbraw/zinc/48/46/33/437484633.db2.gz LJLFLYNKRLBAFG-OQQHHNTDSA-N 1 2 329.466 0.654 20 30 ECEDLO CC(=O)N1CC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C1 ZINC000329924515 437433252 /nfs/dbraw/zinc/43/32/52/437433252.db2.gz HSJHXYXMXILPCJ-OAHLLOKOSA-N 1 2 347.419 0.543 20 30 ECEDLO Cc1noc(CCNC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)n1 ZINC000329976582 437439003 /nfs/dbraw/zinc/43/90/03/437439003.db2.gz YUFGETYGKQOFLV-LBPRGKRZSA-N 1 2 333.396 0.557 20 30 ECEDLO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@@H]2CC[S@](=O)C2)C[C@H](C)O1 ZINC000329988126 437442645 /nfs/dbraw/zinc/44/26/45/437442645.db2.gz GTIKICMRGOPVPQ-UNHDLIQDSA-N 1 2 331.482 0.899 20 30 ECEDLO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CC[S@](=O)C2)C[C@H](C)O1 ZINC000329988126 437442648 /nfs/dbraw/zinc/44/26/48/437442648.db2.gz GTIKICMRGOPVPQ-UNHDLIQDSA-N 1 2 331.482 0.899 20 30 ECEDLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000339247503 437448593 /nfs/dbraw/zinc/44/85/93/437448593.db2.gz PUSRKQXPKXKMQH-MRXNPFEDSA-N 1 2 325.372 0.987 20 30 ECEDLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000339247503 437448597 /nfs/dbraw/zinc/44/85/97/437448597.db2.gz PUSRKQXPKXKMQH-MRXNPFEDSA-N 1 2 325.372 0.987 20 30 ECEDLO C=CC[C@H](CO)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000185770296 437451615 /nfs/dbraw/zinc/45/16/15/437451615.db2.gz QKUHFZXGRISAGF-OAHLLOKOSA-N 1 2 346.431 0.564 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000330373817 437493673 /nfs/dbraw/zinc/49/36/73/437493673.db2.gz LQUQIATZLCEFBI-KBPBESRZSA-N 1 2 337.449 0.976 20 30 ECEDLO CC(C)[C@@H](CNS(=O)(=O)CC1(C#N)CCC1)[NH+]1CCN(C)CC1 ZINC000354116366 437535656 /nfs/dbraw/zinc/53/56/56/437535656.db2.gz XTOCIVXMMBVBAX-OAHLLOKOSA-N 1 2 342.509 0.872 20 30 ECEDLO CO[C@H]1COC[C@@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000290941013 437544255 /nfs/dbraw/zinc/54/42/55/437544255.db2.gz LVXBPEYURGVSBB-IRXDYDNUSA-N 1 2 344.415 0.799 20 30 ECEDLO CC(C)CNC(=O)NC(=O)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000330542364 437548018 /nfs/dbraw/zinc/54/80/18/437548018.db2.gz AKPMEQZJCFGNMY-MJBXVCDLSA-N 1 2 327.425 0.534 20 30 ECEDLO CC(C)CNC(=O)NC(=O)C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000330542364 437548023 /nfs/dbraw/zinc/54/80/23/437548023.db2.gz AKPMEQZJCFGNMY-MJBXVCDLSA-N 1 2 327.425 0.534 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000188448709 437550149 /nfs/dbraw/zinc/55/01/49/437550149.db2.gz RVCYSWXUKHPXCZ-UHFFFAOYSA-N 1 2 340.383 0.161 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000188448709 437550153 /nfs/dbraw/zinc/55/01/53/437550153.db2.gz RVCYSWXUKHPXCZ-UHFFFAOYSA-N 1 2 340.383 0.161 20 30 ECEDLO C[C@H]([C@H](C)NC(=O)N1CCC[C@H](CNC(N)=O)C1)[NH+]1CCOCC1 ZINC000330630599 437573943 /nfs/dbraw/zinc/57/39/43/437573943.db2.gz DDNLTQFQMPLKHS-BFHYXJOUSA-N 1 2 341.456 0.804 20 30 ECEDLO C[C@@](C#N)(NC(=O)CN1CC[NH+]([C@@H]2CCCCNC2=O)CC1)C1CC1 ZINC000360853263 437653462 /nfs/dbraw/zinc/65/34/62/437653462.db2.gz YDXVHRYOSXRVAI-QAPCUYQASA-N 1 2 347.463 0.081 20 30 ECEDLO CNC(=O)NC(=O)CC[N@@H+]1CCSC[C@@H]1C(=O)OC(C)(C)C ZINC000330993925 437666087 /nfs/dbraw/zinc/66/60/87/437666087.db2.gz IBOJNIDRWWTUCE-SNVBAGLBSA-N 1 2 331.438 0.796 20 30 ECEDLO CNC(=O)NC(=O)CC[N@H+]1CCSC[C@@H]1C(=O)OC(C)(C)C ZINC000330993925 437666089 /nfs/dbraw/zinc/66/60/89/437666089.db2.gz IBOJNIDRWWTUCE-SNVBAGLBSA-N 1 2 331.438 0.796 20 30 ECEDLO C[C@H](O)C[C@@H]1COCCN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000330999011 437668344 /nfs/dbraw/zinc/66/83/44/437668344.db2.gz PMOXYWVEUYZSPA-UONOGXRCSA-N 1 2 329.441 0.483 20 30 ECEDLO C[C@H](O)C[C@@H]1COCCN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000330999011 437668347 /nfs/dbraw/zinc/66/83/47/437668347.db2.gz PMOXYWVEUYZSPA-UONOGXRCSA-N 1 2 329.441 0.483 20 30 ECEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000331150685 437699642 /nfs/dbraw/zinc/69/96/42/437699642.db2.gz OIRJNXYWWPXOFN-NWDGAFQWSA-N 1 2 329.422 0.244 20 30 ECEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000331150685 437699646 /nfs/dbraw/zinc/69/96/46/437699646.db2.gz OIRJNXYWWPXOFN-NWDGAFQWSA-N 1 2 329.422 0.244 20 30 ECEDLO C=C(C)COCCNC(=O)N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000355429424 437705456 /nfs/dbraw/zinc/70/54/56/437705456.db2.gz ZWNOMEWGFFCPDH-UHFFFAOYSA-N 1 2 340.468 0.775 20 30 ECEDLO C[C@@]1(CCC(=O)N(CCC#N)CC[NH+]2CCOCC2)CCC(=O)N1 ZINC000355603751 437718371 /nfs/dbraw/zinc/71/83/71/437718371.db2.gz IEOOXZHXLNGPRP-KRWDZBQOSA-N 1 2 336.436 0.510 20 30 ECEDLO CC(C)(CNC(=O)N1CCC[C@H](OCCO)C1)[NH+]1CCOCC1 ZINC000331221862 437719439 /nfs/dbraw/zinc/71/94/39/437719439.db2.gz KHLFVOZDRXEOHB-AWEZNQCLSA-N 1 2 329.441 0.485 20 30 ECEDLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)o2)[C@H](C)C1 ZINC000344725870 437763144 /nfs/dbraw/zinc/76/31/44/437763144.db2.gz OVHFDBRYILVQQX-LLVKDONJSA-N 1 2 341.389 0.409 20 30 ECEDLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)o2)[C@H](C)C1 ZINC000344725870 437763146 /nfs/dbraw/zinc/76/31/46/437763146.db2.gz OVHFDBRYILVQQX-LLVKDONJSA-N 1 2 341.389 0.409 20 30 ECEDLO C[C@H](CS(C)(=O)=O)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000331232904 437724800 /nfs/dbraw/zinc/72/48/00/437724800.db2.gz RMAIVSYJSOTWFT-VXGBXAGGSA-N 1 2 335.470 0.111 20 30 ECEDLO C[C@H](CS(C)(=O)=O)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000331232904 437724802 /nfs/dbraw/zinc/72/48/02/437724802.db2.gz RMAIVSYJSOTWFT-VXGBXAGGSA-N 1 2 335.470 0.111 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000331268688 437730956 /nfs/dbraw/zinc/73/09/56/437730956.db2.gz LBBRVHHQLXFBSZ-QAPCUYQASA-N 1 2 337.464 0.980 20 30 ECEDLO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000331290034 437734054 /nfs/dbraw/zinc/73/40/54/437734054.db2.gz JVPDROZBYCSLEZ-RYUDHWBXSA-N 1 2 348.469 0.216 20 30 ECEDLO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000331290034 437734058 /nfs/dbraw/zinc/73/40/58/437734058.db2.gz JVPDROZBYCSLEZ-RYUDHWBXSA-N 1 2 348.469 0.216 20 30 ECEDLO C=CC[C@H](CO)CNC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000340810614 437742028 /nfs/dbraw/zinc/74/20/28/437742028.db2.gz ZSQMPGDSWXMPGG-UONOGXRCSA-N 1 2 349.435 0.395 20 30 ECEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@@H](O)CN3CCCC3=O)CCO2)c1 ZINC000331386314 437748568 /nfs/dbraw/zinc/74/85/68/437748568.db2.gz IADIMENHRNSZKH-IAGOWNOFSA-N 1 2 329.400 0.915 20 30 ECEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@@H](O)CN3CCCC3=O)CCO2)c1 ZINC000331386314 437748572 /nfs/dbraw/zinc/74/85/72/437748572.db2.gz IADIMENHRNSZKH-IAGOWNOFSA-N 1 2 329.400 0.915 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000362657922 437749051 /nfs/dbraw/zinc/74/90/51/437749051.db2.gz LAKHYTYRAVZNEL-UHFFFAOYSA-N 1 2 336.436 0.865 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000362657922 437749056 /nfs/dbraw/zinc/74/90/56/437749056.db2.gz LAKHYTYRAVZNEL-UHFFFAOYSA-N 1 2 336.436 0.865 20 30 ECEDLO N#Cc1cc(F)ccc1S(=O)(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000340875342 437752386 /nfs/dbraw/zinc/75/23/86/437752386.db2.gz AYKHVMXMZOPTLZ-UHFFFAOYSA-N 1 2 349.391 0.927 20 30 ECEDLO Cc1cc(C(=O)NC2CC[NH+](CC(=O)NC3(C#N)CCC3)CC2)no1 ZINC000364751139 437822444 /nfs/dbraw/zinc/82/24/44/437822444.db2.gz WOECSZFTEGLLMD-UHFFFAOYSA-N 1 2 345.403 0.740 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000363533178 437795576 /nfs/dbraw/zinc/79/55/76/437795576.db2.gz ASGHMLKKKZVEPN-KGLIPLIRSA-N 1 2 329.466 0.589 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000363533178 437795578 /nfs/dbraw/zinc/79/55/78/437795578.db2.gz ASGHMLKKKZVEPN-KGLIPLIRSA-N 1 2 329.466 0.589 20 30 ECEDLO N#Cc1ccnc(NC[C@@]2([NH+]3CCOCC3)CCCOC2)c1[N+](=O)[O-] ZINC000370573513 437806401 /nfs/dbraw/zinc/80/64/01/437806401.db2.gz GKTCQEXMPOFFNQ-INIZCTEOSA-N 1 2 347.375 1.155 20 30 ECEDLO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000370617325 437812459 /nfs/dbraw/zinc/81/24/59/437812459.db2.gz FVMMVQARXIUWSG-GFCCVEGCSA-N 1 2 330.392 0.309 20 30 ECEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000341521264 437857662 /nfs/dbraw/zinc/85/76/62/437857662.db2.gz BPNVDYHSLSKPOW-XHSDSOJGSA-N 1 2 335.400 0.763 20 30 ECEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000341521264 437857665 /nfs/dbraw/zinc/85/76/65/437857665.db2.gz BPNVDYHSLSKPOW-XHSDSOJGSA-N 1 2 335.400 0.763 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2csc(C)n2)CC1 ZINC000371608657 437965721 /nfs/dbraw/zinc/96/57/21/437965721.db2.gz SSJXOSANWUCICC-UHFFFAOYSA-N 1 2 334.445 0.278 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2csc(C)n2)CC1 ZINC000371608657 437965726 /nfs/dbraw/zinc/96/57/26/437965726.db2.gz SSJXOSANWUCICC-UHFFFAOYSA-N 1 2 334.445 0.278 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(OC)c(F)c2)CC1 ZINC000371608799 437966479 /nfs/dbraw/zinc/96/64/79/437966479.db2.gz UOWMUIAJDHYVRB-UHFFFAOYSA-N 1 2 347.390 0.732 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(OC)c(F)c2)CC1 ZINC000371608799 437966484 /nfs/dbraw/zinc/96/64/84/437966484.db2.gz UOWMUIAJDHYVRB-UHFFFAOYSA-N 1 2 347.390 0.732 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000416641019 437977476 /nfs/dbraw/zinc/97/74/76/437977476.db2.gz FLQXPWFRMNKKLT-ZDUSSCGKSA-N 1 2 332.470 0.508 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000371733654 437983307 /nfs/dbraw/zinc/98/33/07/437983307.db2.gz LYFZKXUGACEHLG-UHFFFAOYSA-N 1 2 349.416 0.667 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000371737135 437984018 /nfs/dbraw/zinc/98/40/18/437984018.db2.gz RCTYZDAJRJZDLU-ZIAGYGMSSA-N 1 2 345.465 0.140 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000371737135 437984021 /nfs/dbraw/zinc/98/40/21/437984021.db2.gz RCTYZDAJRJZDLU-ZIAGYGMSSA-N 1 2 345.465 0.140 20 30 ECEDLO Cc1nnc(Nc2ccn(CC[NH+]3CCOCC3)n2)c(C#N)c1C ZINC000342233143 437986197 /nfs/dbraw/zinc/98/61/97/437986197.db2.gz ZTYSCSHGHOWRQA-UHFFFAOYSA-N 1 2 327.392 1.237 20 30 ECEDLO Cc1cccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)c1C#N ZINC000416670831 437987278 /nfs/dbraw/zinc/98/72/78/437987278.db2.gz UTXIAZZJDMOQMP-ZIAGYGMSSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cccc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)c1C#N ZINC000416670831 437987279 /nfs/dbraw/zinc/98/72/79/437987279.db2.gz UTXIAZZJDMOQMP-ZIAGYGMSSA-N 1 2 337.445 0.942 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000425910572 438048140 /nfs/dbraw/zinc/04/81/40/438048140.db2.gz WOMIOAFJZDJZFP-VGWMRTNUSA-N 1 2 346.431 1.000 20 30 ECEDLO C=CCOCC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000348764379 438093867 /nfs/dbraw/zinc/09/38/67/438093867.db2.gz PVZNRFRBLMYTKY-UHFFFAOYSA-N 1 2 347.419 0.164 20 30 ECEDLO C=CCOCC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000348764379 438093870 /nfs/dbraw/zinc/09/38/70/438093870.db2.gz PVZNRFRBLMYTKY-UHFFFAOYSA-N 1 2 347.419 0.164 20 30 ECEDLO CCOC(=O)C1(O)CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000348538224 438073517 /nfs/dbraw/zinc/07/35/17/438073517.db2.gz AGNYYTZUJDICKV-XJKSGUPXSA-N 1 2 339.436 0.819 20 30 ECEDLO Cc1nn(C)c(N2CC[NH+]([C@@H](C)C(=O)NCC(C)C)CC2)c1C#N ZINC000349895444 438187042 /nfs/dbraw/zinc/18/70/42/438187042.db2.gz PKBKBGCHPQCSKI-AWEZNQCLSA-N 1 2 332.452 0.883 20 30 ECEDLO Cc1nn(C)c(N2CC[NH+]([C@H](C)C(=O)NCC(C)C)CC2)c1C#N ZINC000349895445 438187191 /nfs/dbraw/zinc/18/71/91/438187191.db2.gz PKBKBGCHPQCSKI-CQSZACIVSA-N 1 2 332.452 0.883 20 30 ECEDLO C=CCN1CC[C@H](N(C)C(=O)C2([NH+]3CCOCC3)CCCC2)C1=O ZINC000374165396 438191806 /nfs/dbraw/zinc/19/18/06/438191806.db2.gz YNJFQIKCIVKOLJ-HNNXBMFYSA-N 1 2 335.448 0.877 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000373797291 438168723 /nfs/dbraw/zinc/16/87/23/438168723.db2.gz NMGAIMFYCJVQMP-INIZCTEOSA-N 1 2 325.409 0.658 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000373797291 438168726 /nfs/dbraw/zinc/16/87/26/438168726.db2.gz NMGAIMFYCJVQMP-INIZCTEOSA-N 1 2 325.409 0.658 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cnn(CC[NH+]2CCOCC2)c1 ZINC000373889265 438172546 /nfs/dbraw/zinc/17/25/46/438172546.db2.gz CLJSLMNCNGCTNQ-RDJZCZTQSA-N 1 2 348.447 0.926 20 30 ECEDLO COC(=O)[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)C[NH2+]1 ZINC000367676878 438237478 /nfs/dbraw/zinc/23/74/78/438237478.db2.gz ADNCUEJGIREBQE-GXSJLCMTSA-N 1 2 343.792 0.393 20 30 ECEDLO C#CCNC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000367899071 438263724 /nfs/dbraw/zinc/26/37/24/438263724.db2.gz GHMIMYWRHPWFGK-AWEZNQCLSA-N 1 2 336.436 0.956 20 30 ECEDLO Cc1nn(C)c(N2CCN(c3nc[nH+]c(N)c3Cl)CC2)c1C#N ZINC000433796366 438264781 /nfs/dbraw/zinc/26/47/81/438264781.db2.gz LOSQDAVNKUHKLJ-UHFFFAOYSA-N 1 2 332.799 0.952 20 30 ECEDLO Cc1nn(C)c(N2CCN(c3[nH+]cnc(N)c3Cl)CC2)c1C#N ZINC000433796366 438264784 /nfs/dbraw/zinc/26/47/84/438264784.db2.gz LOSQDAVNKUHKLJ-UHFFFAOYSA-N 1 2 332.799 0.952 20 30 ECEDLO C#CCCCS(=O)(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000376247603 438277766 /nfs/dbraw/zinc/27/77/66/438277766.db2.gz NYUVNUOOPQBVRB-CQSZACIVSA-N 1 2 332.491 0.527 20 30 ECEDLO C[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC#N)CC1 ZINC000368376686 438323744 /nfs/dbraw/zinc/32/37/44/438323744.db2.gz HWQAHZJPUPECRK-UHFFFAOYSA-N 1 2 348.428 0.425 20 30 ECEDLO CN(C)S(=O)(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000377757662 438325972 /nfs/dbraw/zinc/32/59/72/438325972.db2.gz CKACQAVBTCDYTR-UHFFFAOYSA-N 1 2 339.436 0.991 20 30 ECEDLO CN(C)S(=O)(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000377757662 438325976 /nfs/dbraw/zinc/32/59/76/438325976.db2.gz CKACQAVBTCDYTR-UHFFFAOYSA-N 1 2 339.436 0.991 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)CCC(C)(C)C#N)C[C@H]1[NH+]1CCOCC1 ZINC000377859844 438329858 /nfs/dbraw/zinc/32/98/58/438329858.db2.gz JOLYZJJVSJHIGZ-UONOGXRCSA-N 1 2 329.466 0.909 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH2+][C@@](C)(CC(=O)OC)c1ccccn1 ZINC000351823119 438346279 /nfs/dbraw/zinc/34/62/79/438346279.db2.gz CJQXIPVVHCDCIW-INIZCTEOSA-N 1 2 334.376 0.461 20 30 ECEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1)c1ccccc1 ZINC000377394325 438309780 /nfs/dbraw/zinc/30/97/80/438309780.db2.gz XAFZMTRARWRPFY-HOTGVXAUSA-N 1 2 342.399 0.523 20 30 ECEDLO N#CCCN(C(=O)C[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1)c1ccccc1 ZINC000377394325 438309782 /nfs/dbraw/zinc/30/97/82/438309782.db2.gz XAFZMTRARWRPFY-HOTGVXAUSA-N 1 2 342.399 0.523 20 30 ECEDLO C=C[C@](C)(CCOC)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000352444942 438424062 /nfs/dbraw/zinc/42/40/62/438424062.db2.gz IGVYLIUVDTZCMM-QGZVFWFLSA-N 1 2 336.436 1.383 20 30 ECEDLO CC(C)(C)NC(=O)C[N@@H+]1CCCN(S(=O)(=O)CCCC#N)CC1 ZINC000369181024 438432955 /nfs/dbraw/zinc/43/29/55/438432955.db2.gz PUBXDOPHKUGHTA-UHFFFAOYSA-N 1 2 344.481 0.542 20 30 ECEDLO CC(C)(C)NC(=O)C[N@H+]1CCCN(S(=O)(=O)CCCC#N)CC1 ZINC000369181024 438432957 /nfs/dbraw/zinc/43/29/57/438432957.db2.gz PUBXDOPHKUGHTA-UHFFFAOYSA-N 1 2 344.481 0.542 20 30 ECEDLO C[N@@H+]1CCN(C2CCN(C(=O)c3cccc(C#N)c3)CC2)C(=O)C1 ZINC000378563812 438402211 /nfs/dbraw/zinc/40/22/11/438402211.db2.gz UABWBJUUNCIIES-UHFFFAOYSA-N 1 2 326.400 0.937 20 30 ECEDLO C[N@H+]1CCN(C2CCN(C(=O)c3cccc(C#N)c3)CC2)C(=O)C1 ZINC000378563812 438402216 /nfs/dbraw/zinc/40/22/16/438402216.db2.gz UABWBJUUNCIIES-UHFFFAOYSA-N 1 2 326.400 0.937 20 30 ECEDLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000438517899 438479213 /nfs/dbraw/zinc/47/92/13/438479213.db2.gz VPJVBEOASQXQSC-NWDGAFQWSA-N 1 2 345.407 0.093 20 30 ECEDLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000438517899 438479217 /nfs/dbraw/zinc/47/92/17/438479217.db2.gz VPJVBEOASQXQSC-NWDGAFQWSA-N 1 2 345.407 0.093 20 30 ECEDLO COC(=O)CN1CCC[N@H+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000370024466 438540915 /nfs/dbraw/zinc/54/09/15/438540915.db2.gz DACAVSFCNMCKHT-UHFFFAOYSA-N 1 2 330.388 0.677 20 30 ECEDLO COC(=O)CN1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000370024466 438540918 /nfs/dbraw/zinc/54/09/18/438540918.db2.gz DACAVSFCNMCKHT-UHFFFAOYSA-N 1 2 330.388 0.677 20 30 ECEDLO CC(=O)N[C@H]1CC[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000422093892 438516615 /nfs/dbraw/zinc/51/66/15/438516615.db2.gz ZFRFTJAYUYFBLX-ZFWWWQNUSA-N 1 2 326.356 0.401 20 30 ECEDLO CC(=O)N[C@H]1CC[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000422093892 438516619 /nfs/dbraw/zinc/51/66/19/438516619.db2.gz ZFRFTJAYUYFBLX-ZFWWWQNUSA-N 1 2 326.356 0.401 20 30 ECEDLO Cn1ncc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1C#N ZINC000353820345 438540104 /nfs/dbraw/zinc/54/01/04/438540104.db2.gz YGZCMZUKSJRJMU-OAHLLOKOSA-N 1 2 339.399 0.923 20 30 ECEDLO Cn1ncc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1C#N ZINC000353820345 438540109 /nfs/dbraw/zinc/54/01/09/438540109.db2.gz YGZCMZUKSJRJMU-OAHLLOKOSA-N 1 2 339.399 0.923 20 30 ECEDLO NC(=O)C1([NH+]2CCN(C(=O)C#Cc3ccccc3)CC2)CCCC1 ZINC000370008989 438540212 /nfs/dbraw/zinc/54/02/12/438540212.db2.gz JHWGIOJBLKCVIL-UHFFFAOYSA-N 1 2 325.412 0.980 20 30 ECEDLO C=CC[N@H+](CCc1nnnn1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000440291773 438542488 /nfs/dbraw/zinc/54/24/88/438542488.db2.gz FQOKRHPPQVYKFL-HNNXBMFYSA-N 1 2 347.444 0.880 20 30 ECEDLO C=CC[N@@H+](CCc1nnnn1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000440291773 438542491 /nfs/dbraw/zinc/54/24/91/438542491.db2.gz FQOKRHPPQVYKFL-HNNXBMFYSA-N 1 2 347.444 0.880 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000410908895 438667213 /nfs/dbraw/zinc/66/72/13/438667213.db2.gz JSPPVBSZOJRATF-UHFFFAOYSA-N 1 2 347.419 0.095 20 30 ECEDLO C[C@@H]1C[C@]1(C#N)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000448836909 438686618 /nfs/dbraw/zinc/68/66/18/438686618.db2.gz RDQZFDMQHWDSNH-RDTXWAMCSA-N 1 2 341.415 0.786 20 30 ECEDLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000453686170 438687985 /nfs/dbraw/zinc/68/79/85/438687985.db2.gz DCANTBRJBUSUSP-UHFFFAOYSA-N 1 2 344.415 0.872 20 30 ECEDLO C[N@H+](CCC#N)C[C@H](O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000414115304 438699509 /nfs/dbraw/zinc/69/95/09/438699509.db2.gz UVKWCPBVBJOHKC-NSHDSACASA-N 1 2 332.316 0.397 20 30 ECEDLO C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000414115304 438699512 /nfs/dbraw/zinc/69/95/12/438699512.db2.gz UVKWCPBVBJOHKC-NSHDSACASA-N 1 2 332.316 0.397 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494748042 438707560 /nfs/dbraw/zinc/70/75/60/438707560.db2.gz JIKJQPMLVBGBRL-STQMWFEESA-N 1 2 330.454 0.008 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494748042 438707561 /nfs/dbraw/zinc/70/75/61/438707561.db2.gz JIKJQPMLVBGBRL-STQMWFEESA-N 1 2 330.454 0.008 20 30 ECEDLO N#Cc1ncn(CCNC(=O)N2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000553970805 438759210 /nfs/dbraw/zinc/75/92/10/438759210.db2.gz XDIKRQMTKWDHJT-UHFFFAOYSA-N 1 2 345.432 0.739 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1COC(=O)N(C)C ZINC000497048090 438760755 /nfs/dbraw/zinc/76/07/55/438760755.db2.gz UBBZSBLSUWKARW-GFCCVEGCSA-N 1 2 326.397 0.551 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1COC(=O)N(C)C ZINC000497048090 438760758 /nfs/dbraw/zinc/76/07/58/438760758.db2.gz UBBZSBLSUWKARW-GFCCVEGCSA-N 1 2 326.397 0.551 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1)C1CC1 ZINC000555591873 438775124 /nfs/dbraw/zinc/77/51/24/438775124.db2.gz DQYJSNYCNXIWBS-ZBFHGGJFSA-N 1 2 332.408 0.216 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1)C1CC1 ZINC000555591873 438775126 /nfs/dbraw/zinc/77/51/26/438775126.db2.gz DQYJSNYCNXIWBS-ZBFHGGJFSA-N 1 2 332.408 0.216 20 30 ECEDLO COC(=O)C[C@@H]1COCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000588214377 438825867 /nfs/dbraw/zinc/82/58/67/438825867.db2.gz GYZSMIOTVPESDB-CVEARBPZSA-N 1 2 348.399 0.756 20 30 ECEDLO COC(=O)C[C@@H]1COCC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000588214377 438825873 /nfs/dbraw/zinc/82/58/73/438825873.db2.gz GYZSMIOTVPESDB-CVEARBPZSA-N 1 2 348.399 0.756 20 30 ECEDLO CC(C)CNC(=O)Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000578105241 438897410 /nfs/dbraw/zinc/89/74/10/438897410.db2.gz QXGCKCFXMMRZTM-UHFFFAOYSA-N 1 2 332.404 0.324 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000601454018 438900886 /nfs/dbraw/zinc/90/08/86/438900886.db2.gz ZXYCENRDKGENSD-RDBSUJKOSA-N 1 2 344.481 0.554 20 30 ECEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000563363721 438863239 /nfs/dbraw/zinc/86/32/39/438863239.db2.gz ADFWRUGZGVGXFP-KBPBESRZSA-N 1 2 329.466 0.940 20 30 ECEDLO N#Cc1cccc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1 ZINC000589282935 438868084 /nfs/dbraw/zinc/86/80/84/438868084.db2.gz RILSXLCYQOGFKL-UHFFFAOYSA-N 1 2 341.415 0.724 20 30 ECEDLO N#Cc1cccc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1 ZINC000589282935 438868089 /nfs/dbraw/zinc/86/80/89/438868089.db2.gz RILSXLCYQOGFKL-UHFFFAOYSA-N 1 2 341.415 0.724 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000601424526 438888629 /nfs/dbraw/zinc/88/86/29/438888629.db2.gz LTKICOIKDSVFPE-KBPBESRZSA-N 1 2 330.454 0.262 20 30 ECEDLO CCS(=O)(=O)c1ccc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000565050511 438908269 /nfs/dbraw/zinc/90/82/69/438908269.db2.gz DODLUZLZCUPNEM-MRXNPFEDSA-N 1 2 337.445 0.983 20 30 ECEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000601433479 438892267 /nfs/dbraw/zinc/89/22/67/438892267.db2.gz DHOOWLITLBGFLQ-GFCCVEGCSA-N 1 2 341.408 0.693 20 30 ECEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000601433479 438892271 /nfs/dbraw/zinc/89/22/71/438892271.db2.gz DHOOWLITLBGFLQ-GFCCVEGCSA-N 1 2 341.408 0.693 20 30 ECEDLO CN(CCCc1[nH]nc(N)c1C#N)c1cc(N2CCOCC2)nc[nH+]1 ZINC000516530935 438913059 /nfs/dbraw/zinc/91/30/59/438913059.db2.gz LMPJSOCPVBIVKY-UHFFFAOYSA-N 1 2 342.407 0.559 20 30 ECEDLO CN(CCCc1[nH]nc(N)c1C#N)c1cc(N2CCOCC2)[nH+]cn1 ZINC000516530935 438913062 /nfs/dbraw/zinc/91/30/62/438913062.db2.gz LMPJSOCPVBIVKY-UHFFFAOYSA-N 1 2 342.407 0.559 20 30 ECEDLO CC(C)(C)n1ncc2c1nc(NC1CCN(CC#N)CC1)[nH+]c2N ZINC000596122003 438928858 /nfs/dbraw/zinc/92/88/58/438928858.db2.gz IGJCRCRZXAAOHD-UHFFFAOYSA-N 1 2 328.424 1.563 20 30 ECEDLO C[C@H](C(=O)N1CC(Nc2cccc(C#N)c2)C1)[NH+]1CCN(C)CC1 ZINC000601676989 438954108 /nfs/dbraw/zinc/95/41/08/438954108.db2.gz HBDNZPBIQSTLTK-CQSZACIVSA-N 1 2 327.432 0.817 20 30 ECEDLO N#Cc1ncn(CC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)n1 ZINC000601852259 438979533 /nfs/dbraw/zinc/97/95/33/438979533.db2.gz VKXWOYAOVPWPSJ-UHFFFAOYSA-N 1 2 343.416 0.414 20 30 ECEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)NCc1cc(F)c(C#N)c(F)c1 ZINC000579257046 438994480 /nfs/dbraw/zinc/99/44/80/438994480.db2.gz NBOKUVFPQQMRTQ-UHFFFAOYSA-N 1 2 338.358 0.909 20 30 ECEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NCc1cc(F)c(C#N)c(F)c1 ZINC000579257046 438994485 /nfs/dbraw/zinc/99/44/85/438994485.db2.gz NBOKUVFPQQMRTQ-UHFFFAOYSA-N 1 2 338.358 0.909 20 30 ECEDLO COC(=O)CN(CC#N)C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000566445224 439056416 /nfs/dbraw/zinc/05/64/16/439056416.db2.gz YMTWQAIINZXURJ-VIFPVBQESA-N 1 2 332.282 0.981 20 30 ECEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000602279940 439056814 /nfs/dbraw/zinc/05/68/14/439056814.db2.gz GIEXHSIALNGTND-HIFRSBDPSA-N 1 2 344.419 0.106 20 30 ECEDLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000602279940 439056819 /nfs/dbraw/zinc/05/68/19/439056819.db2.gz GIEXHSIALNGTND-HIFRSBDPSA-N 1 2 344.419 0.106 20 30 ECEDLO CCn1c(N)c(C(=O)C[NH+]2CCC(CCC#N)CC2)c(=O)[nH]c1=O ZINC000519149999 439025973 /nfs/dbraw/zinc/02/59/73/439025973.db2.gz UKGJAGNIUCIZGT-UHFFFAOYSA-N 1 2 333.392 0.749 20 30 ECEDLO C[C@H](CC#N)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000597014213 439029066 /nfs/dbraw/zinc/02/90/66/439029066.db2.gz PJUYWNSRUBSGGS-CQSZACIVSA-N 1 2 329.404 0.786 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000580464140 439095330 /nfs/dbraw/zinc/09/53/30/439095330.db2.gz KKCKAPLREXZUGW-GHMZBOCLSA-N 1 2 347.400 0.826 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCC1(C#N)CCC1 ZINC000602325677 439065096 /nfs/dbraw/zinc/06/50/96/439065096.db2.gz DFWFXWVYGGABLT-QGZVFWFLSA-N 1 2 336.436 0.595 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCC1(C#N)CCC1 ZINC000602325677 439065100 /nfs/dbraw/zinc/06/51/00/439065100.db2.gz DFWFXWVYGGABLT-QGZVFWFLSA-N 1 2 336.436 0.595 20 30 ECEDLO C=CCCSCCNC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000597359603 439084982 /nfs/dbraw/zinc/08/49/82/439084982.db2.gz BZKIVOWLRDURAG-UHFFFAOYSA-N 1 2 343.493 0.639 20 30 ECEDLO C=CCCSCCNC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000597359603 439084987 /nfs/dbraw/zinc/08/49/87/439084987.db2.gz BZKIVOWLRDURAG-UHFFFAOYSA-N 1 2 343.493 0.639 20 30 ECEDLO CO[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@](C)(CO)C1 ZINC000602963420 439170960 /nfs/dbraw/zinc/17/09/60/439170960.db2.gz FRPPYWFFQXPNIH-HOCLYGCPSA-N 1 2 338.429 0.804 20 30 ECEDLO CO[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@](C)(CO)C1 ZINC000602963420 439170963 /nfs/dbraw/zinc/17/09/63/439170963.db2.gz FRPPYWFFQXPNIH-HOCLYGCPSA-N 1 2 338.429 0.804 20 30 ECEDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000567739433 439171168 /nfs/dbraw/zinc/17/11/68/439171168.db2.gz OEAZFRRJVSXDBB-CYBMUJFWSA-N 1 2 338.389 0.980 20 30 ECEDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000567739433 439171172 /nfs/dbraw/zinc/17/11/72/439171172.db2.gz OEAZFRRJVSXDBB-CYBMUJFWSA-N 1 2 338.389 0.980 20 30 ECEDLO CC[N@@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)C[C@@H](C)C#N ZINC000602770357 439131654 /nfs/dbraw/zinc/13/16/54/439131654.db2.gz QLWPVARXDAYNBZ-LBPRGKRZSA-N 1 2 330.454 0.008 20 30 ECEDLO CC[N@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)C[C@@H](C)C#N ZINC000602770357 439131657 /nfs/dbraw/zinc/13/16/57/439131657.db2.gz QLWPVARXDAYNBZ-LBPRGKRZSA-N 1 2 330.454 0.008 20 30 ECEDLO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149344 439166111 /nfs/dbraw/zinc/16/61/11/439166111.db2.gz NHMMHTDQIVYLED-PXAZEXFGSA-N 1 2 339.403 1.031 20 30 ECEDLO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149344 439166115 /nfs/dbraw/zinc/16/61/15/439166115.db2.gz NHMMHTDQIVYLED-PXAZEXFGSA-N 1 2 339.403 1.031 20 30 ECEDLO CCOC(=O)[C@]1(C)C[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)CCO1 ZINC000603005969 439182780 /nfs/dbraw/zinc/18/27/80/439182780.db2.gz UHXDSIVAEZNQMM-HOCLYGCPSA-N 1 2 340.420 0.712 20 30 ECEDLO CCOC(=O)[C@]1(C)C[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)CCO1 ZINC000603005969 439182785 /nfs/dbraw/zinc/18/27/85/439182785.db2.gz UHXDSIVAEZNQMM-HOCLYGCPSA-N 1 2 340.420 0.712 20 30 ECEDLO COCC[N@H+](C)Cc1cn([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)nn1 ZINC000603174996 439201018 /nfs/dbraw/zinc/20/10/18/439201018.db2.gz JOPJRNWUPXKXLI-CZUORRHYSA-N 1 2 336.440 0.972 20 30 ECEDLO COCC[N@@H+](C)Cc1cn([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)nn1 ZINC000603174996 439201023 /nfs/dbraw/zinc/20/10/23/439201023.db2.gz JOPJRNWUPXKXLI-CZUORRHYSA-N 1 2 336.440 0.972 20 30 ECEDLO N#Cc1ccc(N2CC[C@H](n3cc([C@@H]4COCC[NH2+]4)nn3)C2=O)cc1 ZINC000603189547 439205423 /nfs/dbraw/zinc/20/54/23/439205423.db2.gz CYAIULHPMPIVMG-HOTGVXAUSA-N 1 2 338.371 0.789 20 30 ECEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000581497030 439219101 /nfs/dbraw/zinc/21/91/01/439219101.db2.gz JHEFOOXSSHKMJN-ZDUSSCGKSA-N 1 2 332.470 0.445 20 30 ECEDLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000581670831 439240709 /nfs/dbraw/zinc/24/07/09/439240709.db2.gz USWATZHEEVMWFZ-SJORKVTESA-N 1 2 340.427 0.927 20 30 ECEDLO C#C[C@@H](NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)C(C)C ZINC000490973279 439320470 /nfs/dbraw/zinc/32/04/70/439320470.db2.gz JUHNCXSPUUJNQK-MRXNPFEDSA-N 1 2 334.464 0.888 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC000491013875 439322481 /nfs/dbraw/zinc/32/24/81/439322481.db2.gz MDJYCVZXMSTVGS-OAHLLOKOSA-N 1 2 343.427 0.867 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC000491013875 439322486 /nfs/dbraw/zinc/32/24/86/439322486.db2.gz MDJYCVZXMSTVGS-OAHLLOKOSA-N 1 2 343.427 0.867 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3COCCO3)n2CC(C)C)CC1 ZINC000491119075 439333016 /nfs/dbraw/zinc/33/30/16/439333016.db2.gz HATZYPLFQKKGFI-HNNXBMFYSA-N 1 2 333.436 0.777 20 30 ECEDLO CN1CC[C@@H]([N@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)C1=O ZINC000528389994 439334350 /nfs/dbraw/zinc/33/43/50/439334350.db2.gz VRFZPLORQVEVTO-OAHLLOKOSA-N 1 2 325.368 0.449 20 30 ECEDLO CN1CC[C@@H]([N@@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)C1=O ZINC000528389994 439334354 /nfs/dbraw/zinc/33/43/54/439334354.db2.gz VRFZPLORQVEVTO-OAHLLOKOSA-N 1 2 325.368 0.449 20 30 ECEDLO C#CC[N@@H+](C[C@@H](O)COCc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000490867117 439304743 /nfs/dbraw/zinc/30/47/43/439304743.db2.gz ZZPQABCCZWHMHM-UONOGXRCSA-N 1 2 327.402 0.279 20 30 ECEDLO C#CC[N@H+](C[C@@H](O)COCc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000490867117 439304749 /nfs/dbraw/zinc/30/47/49/439304749.db2.gz ZZPQABCCZWHMHM-UONOGXRCSA-N 1 2 327.402 0.279 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\c2nccn2CC)CC1 ZINC000490892603 439307855 /nfs/dbraw/zinc/30/78/55/439307855.db2.gz MVNBWYZGQAVVNO-SREVYHEPSA-N 1 2 343.431 0.200 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\c2nccn2CC)CC1 ZINC000490892603 439307857 /nfs/dbraw/zinc/30/78/57/439307857.db2.gz MVNBWYZGQAVVNO-SREVYHEPSA-N 1 2 343.431 0.200 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](CN2C(=O)N[C@@](CC)(C3CC3)C2=O)CC1 ZINC000491201839 439348229 /nfs/dbraw/zinc/34/82/29/439348229.db2.gz KESGBRGLZHPUIX-SFHVURJKSA-N 1 2 346.431 0.516 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CC(=O)N(C)C2CCCCC2)CC1 ZINC000491209462 439348788 /nfs/dbraw/zinc/34/87/88/439348788.db2.gz HPHODENBKDDUFW-UHFFFAOYSA-N 1 2 334.464 0.145 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000491210384 439350566 /nfs/dbraw/zinc/35/05/66/439350566.db2.gz SYPDWCXSHRQJJB-IXDOHACOSA-N 1 2 348.491 0.246 20 30 ECEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000528634017 439355867 /nfs/dbraw/zinc/35/58/67/439355867.db2.gz JZLRSKJZBLHJGC-JEFPAAPESA-N 1 2 336.436 0.226 20 30 ECEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000528634017 439355870 /nfs/dbraw/zinc/35/58/70/439355870.db2.gz JZLRSKJZBLHJGC-JEFPAAPESA-N 1 2 336.436 0.226 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCC3(C2)Oc2ccccc2O3)CC1 ZINC000491392167 439376254 /nfs/dbraw/zinc/37/62/54/439376254.db2.gz AKSGEHWWEDXMKG-UHFFFAOYSA-N 1 2 341.411 0.637 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCC3(C2)Oc2ccccc2O3)CC1 ZINC000491392167 439376257 /nfs/dbraw/zinc/37/62/57/439376257.db2.gz AKSGEHWWEDXMKG-UHFFFAOYSA-N 1 2 341.411 0.637 20 30 ECEDLO C#C[C@@H](CCC)NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000491394774 439376572 /nfs/dbraw/zinc/37/65/72/439376572.db2.gz OCVIUVADIBUWPD-HNNXBMFYSA-N 1 2 330.436 0.700 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](CN2C(=O)N[C@@H](CC(C)C)C2=O)CC1 ZINC000491517243 439399479 /nfs/dbraw/zinc/39/94/79/439399479.db2.gz XZRCUQYVJQZTSU-AWEZNQCLSA-N 1 2 334.420 0.372 20 30 ECEDLO C#C[C@H]1COCCN1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000491463741 439387462 /nfs/dbraw/zinc/38/74/62/439387462.db2.gz OJOBPGVJUREIDW-HNNXBMFYSA-N 1 2 330.388 0.462 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC23CCSCC3)CC1 ZINC000491627762 439414716 /nfs/dbraw/zinc/41/47/16/439414716.db2.gz JYDKJLDHUIRAJX-OAHLLOKOSA-N 1 2 349.500 0.803 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC23CCSCC3)CC1 ZINC000491627762 439414720 /nfs/dbraw/zinc/41/47/20/439414720.db2.gz JYDKJLDHUIRAJX-OAHLLOKOSA-N 1 2 349.500 0.803 20 30 ECEDLO C#CCn1ccc(CN(CC)C(=O)NCC2([NH+]3CCOCC3)CC2)n1 ZINC000491807059 439455436 /nfs/dbraw/zinc/45/54/36/439455436.db2.gz SFMRDWRNBWALJC-UHFFFAOYSA-N 1 2 345.447 0.913 20 30 ECEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc(CC#N)cc1 ZINC000583262030 439440406 /nfs/dbraw/zinc/44/04/06/439440406.db2.gz HZQKJRWYGLQVRT-CYBMUJFWSA-N 1 2 325.372 0.770 20 30 ECEDLO C#CCN1C(=O)C[C@@H]([N@@H+]2CCc3c(cccc3C(=O)OC)C2)C1=O ZINC000491772813 439445411 /nfs/dbraw/zinc/44/54/11/439445411.db2.gz RAFUIXFEEHXMPG-OAHLLOKOSA-N 1 2 326.352 0.592 20 30 ECEDLO C#CCN1C(=O)C[C@@H]([N@H+]2CCc3c(cccc3C(=O)OC)C2)C1=O ZINC000491772813 439445417 /nfs/dbraw/zinc/44/54/17/439445417.db2.gz RAFUIXFEEHXMPG-OAHLLOKOSA-N 1 2 326.352 0.592 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(C(=O)OC)c(OC)c2)CC1 ZINC000491776193 439449767 /nfs/dbraw/zinc/44/97/67/439449767.db2.gz CLTBOSBSHMTNOU-UHFFFAOYSA-N 1 2 346.383 0.638 20 30 ECEDLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 ZINC000491834475 439460461 /nfs/dbraw/zinc/46/04/61/439460461.db2.gz YXCFRDGAWLPECK-LBPRGKRZSA-N 1 2 341.408 0.526 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000599500287 439493962 /nfs/dbraw/zinc/49/39/62/439493962.db2.gz RKUCANBNKYSCTD-CQSZACIVSA-N 1 2 344.481 0.509 20 30 ECEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(c2nccnn2)CC1 ZINC000599509633 439495520 /nfs/dbraw/zinc/49/55/20/439495520.db2.gz MDRKQXNXRGGNCB-UHFFFAOYSA-N 1 2 340.387 0.953 20 30 ECEDLO Cc1nn(C)c(N2CC[NH+](CCN3C[C@H]4CC[C@@H](C3)O4)CC2)c1C#N ZINC000530413837 439498993 /nfs/dbraw/zinc/49/89/93/439498993.db2.gz HVKSAAXDQBXKDW-IYBDPMFKSA-N 1 2 344.463 0.585 20 30 ECEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1C#N)CC2 ZINC000599718321 439544498 /nfs/dbraw/zinc/54/44/98/439544498.db2.gz PUQNLZHOQUMXOQ-LBPRGKRZSA-N 1 2 341.419 1.022 20 30 ECEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000594420263 439557928 /nfs/dbraw/zinc/55/79/28/439557928.db2.gz KOGDNJZKJHWVPB-PBHICJAKSA-N 1 2 331.416 0.546 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)NC[C@H](C)C#N)CC1 ZINC000542877659 439560946 /nfs/dbraw/zinc/56/09/46/439560946.db2.gz PJDFZEAKXMGLHG-KGLIPLIRSA-N 1 2 339.440 0.014 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1=O ZINC000531957517 439514353 /nfs/dbraw/zinc/51/43/53/439514353.db2.gz RTOQFAQNADLDID-HRCADAONSA-N 1 2 335.448 0.875 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1=O ZINC000531957517 439514356 /nfs/dbraw/zinc/51/43/56/439514356.db2.gz RTOQFAQNADLDID-HRCADAONSA-N 1 2 335.448 0.875 20 30 ECEDLO N#Cc1nccc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)n1 ZINC000594542877 439574495 /nfs/dbraw/zinc/57/44/95/439574495.db2.gz BDZQZNJQJZUHIC-UHFFFAOYSA-N 1 2 328.420 0.873 20 30 ECEDLO C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@](C)(c2nccs2)C1=O ZINC000594716291 439596108 /nfs/dbraw/zinc/59/61/08/439596108.db2.gz OHJLTMCLRVYIEG-QMTHXVAHSA-N 1 2 337.405 0.116 20 30 ECEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@](C)(c2nccs2)C1=O ZINC000594716291 439596113 /nfs/dbraw/zinc/59/61/13/439596113.db2.gz OHJLTMCLRVYIEG-QMTHXVAHSA-N 1 2 337.405 0.116 20 30 ECEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CC(=O)NCC2CCC2)c1=O ZINC000594902294 439642103 /nfs/dbraw/zinc/64/21/03/439642103.db2.gz WWYCUXDLNVCDJZ-UHFFFAOYSA-N 1 2 344.415 0.468 20 30 ECEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000600419253 439653662 /nfs/dbraw/zinc/65/36/62/439653662.db2.gz GGMYQNQBIYYAHQ-DLBZAZTESA-N 1 2 328.416 0.974 20 30 ECEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000600419253 439653666 /nfs/dbraw/zinc/65/36/66/439653666.db2.gz GGMYQNQBIYYAHQ-DLBZAZTESA-N 1 2 328.416 0.974 20 30 ECEDLO Cc1ncc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)cc1C#N ZINC000595111455 439654571 /nfs/dbraw/zinc/65/45/71/439654571.db2.gz KPBAMKUVLLDKGF-CQSZACIVSA-N 1 2 346.416 0.330 20 30 ECEDLO N#Cc1cc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)ccc1F ZINC000595150328 439662411 /nfs/dbraw/zinc/66/24/11/439662411.db2.gz FDVWGHBCYIYQOX-AWEZNQCLSA-N 1 2 346.362 0.569 20 30 ECEDLO N#Cc1ccc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000595156271 439663061 /nfs/dbraw/zinc/66/30/61/439663061.db2.gz UGXBKFQXUNCTML-HNNXBMFYSA-N 1 2 328.372 0.430 20 30 ECEDLO COC(=O)CN(CCc1ccc(C#N)cc1)CC[NH+]1CCOCC1 ZINC000595320571 439699806 /nfs/dbraw/zinc/69/98/06/439699806.db2.gz ZQDOFGPWRRXUGC-UHFFFAOYSA-N 1 2 331.416 0.908 20 30 ECEDLO COC(=O)c1cccc(CN2CC[NH+](CC(=O)N(C)C)CC2)c1C#N ZINC000611126632 439674329 /nfs/dbraw/zinc/67/43/29/439674329.db2.gz XHKOYBPPIXHVDR-UHFFFAOYSA-N 1 2 344.415 0.551 20 30 ECEDLO N#CCCN1CC[NH+](CC(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000611174081 439677294 /nfs/dbraw/zinc/67/72/94/439677294.db2.gz CZVIJLWCIKSKBT-HNNXBMFYSA-N 1 2 344.415 0.474 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@H]3CNC(=O)C3)CC2)cc1 ZINC000595288976 439690521 /nfs/dbraw/zinc/69/05/21/439690521.db2.gz CVKLELBQDVFGTD-CQSZACIVSA-N 1 2 348.428 0.001 20 30 ECEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N2CCOC[C@H]2C2CC2)CC1 ZINC000611431821 439696778 /nfs/dbraw/zinc/69/67/78/439696778.db2.gz CDEKHTOUUZRYGC-IRXDYDNUSA-N 1 2 334.464 0.790 20 30 ECEDLO C[C@]1(C#N)CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000612370899 439696824 /nfs/dbraw/zinc/69/68/24/439696824.db2.gz CVYNPSYETFMJJM-MAUKXSAKSA-N 1 2 348.447 0.319 20 30 ECEDLO COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000613350242 439755272 /nfs/dbraw/zinc/75/52/72/439755272.db2.gz RYGSRTZDCUCZOI-BXUZGUMPSA-N 1 2 339.417 0.564 20 30 ECEDLO COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000613350242 439755273 /nfs/dbraw/zinc/75/52/73/439755273.db2.gz RYGSRTZDCUCZOI-BXUZGUMPSA-N 1 2 339.417 0.564 20 30 ECEDLO C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631781443 439922982 /nfs/dbraw/zinc/92/29/82/439922982.db2.gz KHCPGPINAOPXJR-GFCCVEGCSA-N 1 2 336.479 0.086 20 30 ECEDLO CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000646953194 439945335 /nfs/dbraw/zinc/94/53/35/439945335.db2.gz XMCXAFDIKLMKRI-CYBMUJFWSA-N 1 2 328.372 0.711 20 30 ECEDLO Cc1c(C[N@@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cnn1C ZINC000619184322 440219361 /nfs/dbraw/zinc/21/93/61/440219361.db2.gz MWKWLZONOWDJTL-KRWDZBQOSA-N 1 2 346.479 0.853 20 30 ECEDLO Cc1c(C[N@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cnn1C ZINC000619184322 440219366 /nfs/dbraw/zinc/21/93/66/440219366.db2.gz MWKWLZONOWDJTL-KRWDZBQOSA-N 1 2 346.479 0.853 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)nn1 ZINC000648350965 440282985 /nfs/dbraw/zinc/28/29/85/440282985.db2.gz ARDPOZBKJQABHY-GFCCVEGCSA-N 1 2 343.391 0.119 20 30 ECEDLO C=CCCn1cc(C[N@H+]2CCC[C@H]2CNC(=O)c2cnn(C)c2)nn1 ZINC000639972530 440844120 /nfs/dbraw/zinc/84/41/20/440844120.db2.gz UVLSHMJNZTYTJM-INIZCTEOSA-N 1 2 343.435 0.982 20 30 ECEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H]2CNC(=O)c2cnn(C)c2)nn1 ZINC000639972530 440844127 /nfs/dbraw/zinc/84/41/27/440844127.db2.gz UVLSHMJNZTYTJM-INIZCTEOSA-N 1 2 343.435 0.982 20 30 ECEDLO C=CCCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000661570389 440879255 /nfs/dbraw/zinc/87/92/55/440879255.db2.gz FJCOADYODYHVRB-UHFFFAOYSA-N 1 2 346.435 0.721 20 30 ECEDLO C=CCCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000661570389 440879263 /nfs/dbraw/zinc/87/92/63/440879263.db2.gz FJCOADYODYHVRB-UHFFFAOYSA-N 1 2 346.435 0.721 20 30 ECEDLO C=CCNS(=O)(=O)c1ccccc1N1CC[NH+](CCO)CC1 ZINC000641252829 441082513 /nfs/dbraw/zinc/08/25/13/441082513.db2.gz SWQAGXIKAWGNEZ-UHFFFAOYSA-N 1 2 325.434 0.265 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)CNC(=O)c2ccc(C#N)cc2)CCO1 ZINC000547453262 322128075 /nfs/dbraw/zinc/12/80/75/322128075.db2.gz WKKZBUSSBNWFTO-CYBMUJFWSA-N 1 2 330.388 0.125 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)CNC(=O)c2ccc(C#N)cc2)CCO1 ZINC000547453262 322128077 /nfs/dbraw/zinc/12/80/77/322128077.db2.gz WKKZBUSSBNWFTO-CYBMUJFWSA-N 1 2 330.388 0.125 20 30 ECEDLO COc1cc(C#N)ccc1NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547976243 322144135 /nfs/dbraw/zinc/14/41/35/322144135.db2.gz ZCLUARFMTIRJDQ-LBPRGKRZSA-N 1 2 339.355 0.833 20 30 ECEDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ncc(C#N)cc2C)C[C@H]1C ZINC000560353716 322235715 /nfs/dbraw/zinc/23/57/15/322235715.db2.gz NNDBQKIGCVVDDB-CYBMUJFWSA-N 1 2 330.388 0.971 20 30 ECEDLO COC(=O)CC[N@H+]1CCN(C(=O)c2ncc(C#N)cc2C)C[C@H]1C ZINC000560353716 322235717 /nfs/dbraw/zinc/23/57/17/322235717.db2.gz NNDBQKIGCVVDDB-CYBMUJFWSA-N 1 2 330.388 0.971 20 30 ECEDLO COC(=O)c1ccc(N2CC[NH+](CC(=O)NC(C)C)CC2)c(C#N)n1 ZINC000561883422 322264530 /nfs/dbraw/zinc/26/45/30/322264530.db2.gz WBFSGOWVHMWFEW-UHFFFAOYSA-N 1 2 345.403 0.386 20 30 ECEDLO C[C@H](NC(=O)C(=O)Nc1cccc(C#N)n1)[C@H](C)[NH+]1CCOCC1 ZINC000579107864 322886123 /nfs/dbraw/zinc/88/61/23/322886123.db2.gz IHJWBOAATKDDME-RYUDHWBXSA-N 1 2 331.376 0.117 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000425857268 517341860 /nfs/dbraw/zinc/34/18/60/517341860.db2.gz AFMHUXNXYPNGMP-ZFWWWQNUSA-N 1 2 342.399 0.700 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCn2cccc2)CC1 ZINC000159418808 526991362 /nfs/dbraw/zinc/99/13/62/526991362.db2.gz WOIAGIARKYNIDG-UHFFFAOYSA-N 1 2 330.432 0.552 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCCn2cccc2)CC1 ZINC000159418808 526991366 /nfs/dbraw/zinc/99/13/66/526991366.db2.gz WOIAGIARKYNIDG-UHFFFAOYSA-N 1 2 330.432 0.552 20 30 ECEDLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)N1CCNC(=O)CC1 ZINC000328895166 546008827 /nfs/dbraw/zinc/00/88/27/546008827.db2.gz BEUOHWSMGQQVFX-UHFFFAOYSA-N 1 2 333.392 0.994 20 30 ECEDLO CC(=O)N1CCC[C@H](C(=O)NCC(=O)NCC[NH+]2CCOCC2)C1 ZINC000329383618 546022539 /nfs/dbraw/zinc/02/25/39/546022539.db2.gz RFOYKQRRAVYELB-AWEZNQCLSA-N 1 2 340.424 0.490 20 30 ECEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000329398698 546022798 /nfs/dbraw/zinc/02/27/98/546022798.db2.gz YENOMXACONNDHH-LBPRGKRZSA-N 1 2 337.424 0.258 20 30 ECEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000329398698 546022806 /nfs/dbraw/zinc/02/28/06/546022806.db2.gz YENOMXACONNDHH-LBPRGKRZSA-N 1 2 337.424 0.258 20 30 ECEDLO Cc1ncc(C[NH+]2CCN(C(=O)NC[C@H]3COCCO3)CC2)s1 ZINC000329445310 546024918 /nfs/dbraw/zinc/02/49/18/546024918.db2.gz LRKAWCUGZOMKHD-ZDUSSCGKSA-N 1 2 340.449 0.899 20 30 ECEDLO N#C[C@@H]1CCC[C@H]1NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329750455 546033383 /nfs/dbraw/zinc/03/33/83/546033383.db2.gz UZZNCGCEOBKVSW-UONOGXRCSA-N 1 2 332.408 1.233 20 30 ECEDLO COCCN1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000619578867 546343181 /nfs/dbraw/zinc/34/31/81/546343181.db2.gz WGFZQCMTTZGOHM-KRWDZBQOSA-N 1 2 333.432 0.756 20 30 ECEDLO CNC(=O)NC(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000619647451 546355021 /nfs/dbraw/zinc/35/50/21/546355021.db2.gz PXCLGTBZGOAVKX-SWLSCSKDSA-N 1 2 347.394 0.852 20 30 ECEDLO C=CCNC(=O)CNC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000623862067 546851621 /nfs/dbraw/zinc/85/16/21/546851621.db2.gz LBMUCPTVSGPCEG-UHFFFAOYSA-N 1 2 334.424 0.922 20 30 ECEDLO C=CC(C)(C)CCNC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000625569753 547152264 /nfs/dbraw/zinc/15/22/64/547152264.db2.gz FQHUBLHGWXPCKK-AWEZNQCLSA-N 1 2 325.453 0.884 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000668494017 547666395 /nfs/dbraw/zinc/66/63/95/547666395.db2.gz UEXITUSMHDMNDZ-HNNXBMFYSA-N 1 2 349.435 0.625 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000673285172 548477502 /nfs/dbraw/zinc/47/75/02/548477502.db2.gz NEDOZKJSMSCIKN-MRXNPFEDSA-N 1 2 331.416 0.950 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673285172 548477506 /nfs/dbraw/zinc/47/75/06/548477506.db2.gz NEDOZKJSMSCIKN-MRXNPFEDSA-N 1 2 331.416 0.950 20 30 ECEDLO C=CCOCCNC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000679503507 549097916 /nfs/dbraw/zinc/09/79/16/549097916.db2.gz BGUWDIQLLDJAFJ-HNNXBMFYSA-N 1 2 338.452 0.527 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nccc3c2C(=O)OC3(C)C)CC1 ZINC000749097018 579333582 /nfs/dbraw/zinc/33/35/82/579333582.db2.gz HNCHNDWFWZVZJR-UHFFFAOYSA-N 1 2 344.415 0.911 20 30 ECEDLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1 ZINC000751313384 579365706 /nfs/dbraw/zinc/36/57/06/579365706.db2.gz MMNQVJUGPBJNDN-NSHDSACASA-N 1 2 327.381 0.384 20 30 ECEDLO COC(=O)[C@H](c1ccc(C#N)cc1)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000755955603 579442586 /nfs/dbraw/zinc/44/25/86/579442586.db2.gz HPGOUYDDSPTOLC-UPCLLVRISA-N 1 2 349.456 0.768 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000756884404 579456075 /nfs/dbraw/zinc/45/60/75/579456075.db2.gz IUJWLLMDHKBMCE-KFWWJZLASA-N 1 2 346.431 0.959 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000756884404 579456076 /nfs/dbraw/zinc/45/60/76/579456076.db2.gz IUJWLLMDHKBMCE-KFWWJZLASA-N 1 2 346.431 0.959 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 ZINC000730293915 578304819 /nfs/dbraw/zinc/30/48/19/578304819.db2.gz TXTUHBYECQGHNL-CQSZACIVSA-N 1 2 329.375 0.956 20 30 ECEDLO CN(Cc1[nH]cc[nH+]1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC000731880175 578316731 /nfs/dbraw/zinc/31/67/31/578316731.db2.gz IGLZKPQXICAVNQ-UHFFFAOYSA-N 1 2 333.373 0.107 20 30 ECEDLO N#Cc1ccc2[nH+]cc(CN=Nc3ccc(S(N)(=O)=O)cn3)n2c1 ZINC000736429539 578428767 /nfs/dbraw/zinc/42/87/67/578428767.db2.gz AUAGHVTZCNWAKA-UHFFFAOYSA-N 1 2 341.356 0.694 20 30 ECEDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](CCS(=O)(=O)c3cccc(C#N)c3)C[C@@H]21 ZINC000794986249 578602474 /nfs/dbraw/zinc/60/24/74/578602474.db2.gz XDNSDKDLTFKGAD-FICVDOATSA-N 1 2 334.397 0.683 20 30 ECEDLO COC(=O)[C@H]1[C@@H]2C[N@H+](CCS(=O)(=O)c3cccc(C#N)c3)C[C@@H]21 ZINC000794986249 578602475 /nfs/dbraw/zinc/60/24/75/578602475.db2.gz XDNSDKDLTFKGAD-FICVDOATSA-N 1 2 334.397 0.683 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@@H](C(F)(F)F)OC[C@H]2C)CC1 ZINC000796307451 578624314 /nfs/dbraw/zinc/62/43/14/578624314.db2.gz KTLUQRNGSXQOBP-OLZOCXBDSA-N 1 2 333.354 0.415 20 30 ECEDLO N#CCCNC(=O)C[N@@H+]1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC000796549944 578625854 /nfs/dbraw/zinc/62/58/54/578625854.db2.gz QWJIAYSIXMXGJU-UONOGXRCSA-N 1 2 338.408 0.386 20 30 ECEDLO N#CCCNC(=O)C[N@H+]1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC000796549944 578625855 /nfs/dbraw/zinc/62/58/55/578625855.db2.gz QWJIAYSIXMXGJU-UONOGXRCSA-N 1 2 338.408 0.386 20 30 ECEDLO C#CCC[C@H](O)CNC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000799073304 578656968 /nfs/dbraw/zinc/65/69/68/578656968.db2.gz FYPPIYYXXFTNPS-INIZCTEOSA-N 1 2 346.427 0.952 20 30 ECEDLO C#CCC[C@H](O)CNC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000799073304 578656970 /nfs/dbraw/zinc/65/69/70/578656970.db2.gz FYPPIYYXXFTNPS-INIZCTEOSA-N 1 2 346.427 0.952 20 30 ECEDLO N#C[C@H]1CN(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000800021842 578672969 /nfs/dbraw/zinc/67/29/69/578672969.db2.gz ZGPXXNCRRWSZPY-HNNXBMFYSA-N 1 2 347.400 0.431 20 30 ECEDLO Nc1ncc(C=[NH+]Nc2ccc(S(=O)(=O)NC3CC3)cc2)cn1 ZINC000781591687 578711960 /nfs/dbraw/zinc/71/19/60/578711960.db2.gz NPJCFZSXUWLQOI-UHFFFAOYSA-N 1 2 332.389 0.946 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(CCC(=O)OC)c2)CC1 ZINC000786117621 578780942 /nfs/dbraw/zinc/78/09/42/578780942.db2.gz LGEGQPIHMATPJO-UHFFFAOYSA-N 1 2 343.427 0.982 20 30 ECEDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCCC#N)CC1 ZINC000787594266 578810276 /nfs/dbraw/zinc/81/02/76/578810276.db2.gz SPDGKNPMRPTDLS-UHFFFAOYSA-N 1 2 343.387 0.043 20 30 ECEDLO COCC(=NNC(=S)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000790143620 578868861 /nfs/dbraw/zinc/86/88/61/578868861.db2.gz PSXSTKUUTWUQIP-UHFFFAOYSA-N 1 2 336.461 0.833 20 30 ECEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCS(N)(=O)=O)CC1 ZINC000791626650 578891007 /nfs/dbraw/zinc/89/10/07/578891007.db2.gz YTOOXVDVTGQWSX-AWEZNQCLSA-N 1 2 342.852 0.811 20 30 ECEDLO Cn1c[nH+]cc1CCOC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000793252823 578924867 /nfs/dbraw/zinc/92/48/67/578924867.db2.gz RXDYIDFAFTXJFK-UHFFFAOYSA-N 1 2 347.396 0.992 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 ZINC000770173298 579161915 /nfs/dbraw/zinc/16/19/15/579161915.db2.gz MUYWATXZAYBPBA-GJZGRUSLSA-N 1 2 340.383 0.473 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 ZINC000770173298 579161916 /nfs/dbraw/zinc/16/19/16/579161916.db2.gz MUYWATXZAYBPBA-GJZGRUSLSA-N 1 2 340.383 0.473 20 30 ECEDLO O=C(NCCNC(=O)C1N=CC=CC1=O)c1cccc2[nH+]ccn21 ZINC000770415455 579166172 /nfs/dbraw/zinc/16/61/72/579166172.db2.gz DDGLQERKNIDIRZ-JQIJEIRASA-N 1 2 325.328 0.591 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C(C)(C)N2C(=O)c3ccccc3C2=O)CC1 ZINC000771136812 579185022 /nfs/dbraw/zinc/18/50/22/579185022.db2.gz PLNUECNLBJMULG-UHFFFAOYSA-N 1 2 339.395 0.839 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC000776800450 579289624 /nfs/dbraw/zinc/28/96/24/579289624.db2.gz ZLFBSYZBDAJSRV-UHFFFAOYSA-N 1 2 332.429 0.452 20 30 ECEDLO N#Cc1cccnc1NCCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000764830088 579580395 /nfs/dbraw/zinc/58/03/95/579580395.db2.gz MRPXHWHQAQALST-UHFFFAOYSA-N 1 2 344.419 0.529 20 30 ECEDLO CCN(CC)c1ccc(C=[NH+]NC(=S)NCC(N)=O)cc1F ZINC000739411093 579685398 /nfs/dbraw/zinc/68/53/98/579685398.db2.gz GLVQLKGCIYCPKT-UHFFFAOYSA-N 1 2 325.413 0.955 20 30 ECEDLO CC(C)(CN=Nc1ccccc1S(N)(=O)=O)[NH+]1CCOCC1 ZINC000841635363 588996648 /nfs/dbraw/zinc/99/66/48/588996648.db2.gz KHKQWDPFBQXHIO-UHFFFAOYSA-N 1 2 326.422 0.843 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2nc(C(C)(C)C)ns2)C1 ZINC000891606377 586181505 /nfs/dbraw/zinc/18/15/05/586181505.db2.gz LNVUUCCJMFWWGS-NSHDSACASA-N 1 2 349.460 0.988 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2nc(C(C)(C)C)ns2)C1 ZINC000891606377 586181508 /nfs/dbraw/zinc/18/15/08/586181508.db2.gz LNVUUCCJMFWWGS-NSHDSACASA-N 1 2 349.460 0.988 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(C)nc(COCC)n2)CC1 ZINC000891617007 586182234 /nfs/dbraw/zinc/18/22/34/586182234.db2.gz POZSSLWVECHNDR-UHFFFAOYSA-N 1 2 333.436 0.746 20 30 ECEDLO C[C@@]1(C#N)CN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)CCO1 ZINC000891845899 586200489 /nfs/dbraw/zinc/20/04/89/586200489.db2.gz VUUFRRILNUEHAE-QGZVFWFLSA-N 1 2 345.403 0.742 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000895919269 586212680 /nfs/dbraw/zinc/21/26/80/586212680.db2.gz STALXDKSDJQXRC-UHFFFAOYSA-N 1 2 345.371 0.256 20 30 ECEDLO O=C1C[C@H]([NH+]2CCC3(CC2)CC(=O)C=CO3)C(=O)N1c1cnccn1 ZINC000899251546 586479354 /nfs/dbraw/zinc/47/93/54/586479354.db2.gz AZPGXRJCZBIWNZ-ZDUSSCGKSA-N 1 2 342.355 0.446 20 30 ECEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(C#CCO)c2)CC1 ZINC000900170792 586528414 /nfs/dbraw/zinc/52/84/14/586528414.db2.gz CNOLHATZSQDGSX-UHFFFAOYSA-N 1 2 343.427 0.314 20 30 ECEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(C#CCO)c2)CC1 ZINC000900170792 586528415 /nfs/dbraw/zinc/52/84/15/586528415.db2.gz CNOLHATZSQDGSX-UHFFFAOYSA-N 1 2 343.427 0.314 20 30 ECEDLO C=CCn1c(=O)n(CC=C)c(=O)n(Cc2ccc(N(C)C)[nH+]c2)c1=O ZINC000902180594 586723331 /nfs/dbraw/zinc/72/33/31/586723331.db2.gz WIYFLMKBQKWQCA-UHFFFAOYSA-N 1 2 343.387 0.053 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2c(C)nn(CCC#N)c2C)CC1 ZINC000902909713 586762006 /nfs/dbraw/zinc/76/20/06/586762006.db2.gz GVYBLWUMRLNCOK-UHFFFAOYSA-N 1 2 329.404 0.570 20 30 ECEDLO CCCC[C@H](ON=C(C)C)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000758385500 586897612 /nfs/dbraw/zinc/89/76/12/586897612.db2.gz SIGZGUOCATVJGX-AWEZNQCLSA-N 1 2 326.441 0.896 20 30 ECEDLO CCCC[C@H](ON=C(C)C)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000758385500 586897613 /nfs/dbraw/zinc/89/76/13/586897613.db2.gz SIGZGUOCATVJGX-AWEZNQCLSA-N 1 2 326.441 0.896 20 30 ECEDLO CC[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1cnc2c(C#N)cnn2c1 ZINC000906073245 586932539 /nfs/dbraw/zinc/93/25/39/586932539.db2.gz PMPIXSWVQIKIAS-LBPRGKRZSA-N 1 2 334.405 0.316 20 30 ECEDLO CC[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1cnc2c(C#N)cnn2c1 ZINC000906073245 586932541 /nfs/dbraw/zinc/93/25/41/586932541.db2.gz PMPIXSWVQIKIAS-LBPRGKRZSA-N 1 2 334.405 0.316 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000906929666 586994865 /nfs/dbraw/zinc/99/48/65/586994865.db2.gz QVQJAEQNBCGTQT-UNGSAITNSA-N 1 2 335.448 0.858 20 30 ECEDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)CNc1ccc(C#N)cc1 ZINC000807281810 587123776 /nfs/dbraw/zinc/12/37/76/587123776.db2.gz XCBWRWGPLAXDCU-AWEZNQCLSA-N 1 2 327.344 0.525 20 30 ECEDLO C#CC[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000844002395 589087982 /nfs/dbraw/zinc/08/79/82/589087982.db2.gz WIEGFGJEOSXGDG-SJORKVTESA-N 1 2 347.459 0.429 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1)[C@@H]1CCCO1 ZINC000809312713 587174877 /nfs/dbraw/zinc/17/48/77/587174877.db2.gz NVFMLUPZSUCTSB-IHRRRGAJSA-N 1 2 330.388 0.033 20 30 ECEDLO C#CCN1CCN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)CC1 ZINC000810214404 587191695 /nfs/dbraw/zinc/19/16/95/587191695.db2.gz XDKFZMKMVHEBPQ-MRXNPFEDSA-N 1 2 345.447 0.261 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H](F)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000810214178 587191926 /nfs/dbraw/zinc/19/19/26/587191926.db2.gz QCBARSJHLDULKF-CQSZACIVSA-N 1 2 339.411 0.969 20 30 ECEDLO N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000810461083 587196889 /nfs/dbraw/zinc/19/68/89/587196889.db2.gz OQHDENSBUNNUAF-UHFFFAOYSA-N 1 2 343.318 0.905 20 30 ECEDLO Cc1nn(C)c(Cl)c1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000812487597 587238411 /nfs/dbraw/zinc/23/84/11/587238411.db2.gz QTRBLWMZHHBCHL-UHFFFAOYSA-N 1 2 344.872 0.512 20 30 ECEDLO COCCOC[C@H](O)C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000819230583 587473204 /nfs/dbraw/zinc/47/32/04/587473204.db2.gz XAXHMRKACIOUIU-MCIONIFRSA-N 1 2 343.424 0.359 20 30 ECEDLO CN(C)C(=O)COc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000819404068 587478292 /nfs/dbraw/zinc/47/82/92/587478292.db2.gz HPZYNOSOMJRELO-HNNXBMFYSA-N 1 2 334.420 0.772 20 30 ECEDLO CN(C)C(=O)COc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000819404068 587478293 /nfs/dbraw/zinc/47/82/93/587478293.db2.gz HPZYNOSOMJRELO-HNNXBMFYSA-N 1 2 334.420 0.772 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(CC)c(CC)c2-c2nn[nH]n2)CC1 ZINC000819701798 587486406 /nfs/dbraw/zinc/48/64/06/587486406.db2.gz NKQPMULORWLFBZ-UHFFFAOYSA-N 1 2 326.408 0.537 20 30 ECEDLO CN(C(=O)[C@](C)(C#N)CC(=O)[O-])[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000820620988 587545207 /nfs/dbraw/zinc/54/52/07/587545207.db2.gz ZTMVRZRAPQLLCJ-PBHICJAKSA-N 1 2 336.436 0.618 20 30 ECEDLO CN(C(=O)[C@](C)(C#N)CC(=O)[O-])[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000820620988 587545209 /nfs/dbraw/zinc/54/52/09/587545209.db2.gz ZTMVRZRAPQLLCJ-PBHICJAKSA-N 1 2 336.436 0.618 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000823314277 587715415 /nfs/dbraw/zinc/71/54/15/587715415.db2.gz GHNVFUHGORJBFL-MRXNPFEDSA-N 1 2 349.475 0.865 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000823455629 587721469 /nfs/dbraw/zinc/72/14/69/587721469.db2.gz KNZHNKYJXFQPPQ-UHFFFAOYSA-N 1 2 347.481 0.339 20 30 ECEDLO C#CC[C@@H](NC(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1)C(=O)OC ZINC000823518733 587725836 /nfs/dbraw/zinc/72/58/36/587725836.db2.gz HYIJEEQXDLSJMA-CVEARBPZSA-N 1 2 330.384 0.951 20 30 ECEDLO C#CC[C@@H](NC(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1)C(=O)OC ZINC000823518733 587725838 /nfs/dbraw/zinc/72/58/38/587725838.db2.gz HYIJEEQXDLSJMA-CVEARBPZSA-N 1 2 330.384 0.951 20 30 ECEDLO C#CCCN1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823845022 587745650 /nfs/dbraw/zinc/74/56/50/587745650.db2.gz NFXRAIDIQLDNGF-INIZCTEOSA-N 1 2 326.404 0.541 20 30 ECEDLO C#C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1CCOCC1 ZINC000825666186 587955590 /nfs/dbraw/zinc/95/55/90/587955590.db2.gz JCYVVPYTOWYORK-ZACQAIPSSA-N 1 2 336.432 0.411 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)nn3)CC2)cc1 ZINC000826384944 588037905 /nfs/dbraw/zinc/03/79/05/588037905.db2.gz QQPALBVHYRWXOH-UHFFFAOYSA-N 1 2 347.386 0.851 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@]23C[C@@H]2COC3(C)C)CC1 ZINC000826549618 588069271 /nfs/dbraw/zinc/06/92/71/588069271.db2.gz KCTCDJPQNAQELS-RDTXWAMCSA-N 1 2 333.432 0.085 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@]23C[C@@H]2COC3(C)C)CC1 ZINC000826549618 588069273 /nfs/dbraw/zinc/06/92/73/588069273.db2.gz KCTCDJPQNAQELS-RDTXWAMCSA-N 1 2 333.432 0.085 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(C)[C@H](CC)C(=O)OC(C)(C)C)CC1 ZINC000844475416 589111967 /nfs/dbraw/zinc/11/19/67/589111967.db2.gz VCDQVQDYHNQWHI-OAHLLOKOSA-N 1 2 337.464 0.816 20 30 ECEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)C[C@H](O)c1cccc(C#N)c1 ZINC000844956622 589126889 /nfs/dbraw/zinc/12/68/89/589126889.db2.gz DTAWIJCRVIDRET-PBHICJAKSA-N 1 2 346.431 0.954 20 30 ECEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)C[C@H](O)c1cccc(C#N)c1 ZINC000844956622 589126890 /nfs/dbraw/zinc/12/68/90/589126890.db2.gz DTAWIJCRVIDRET-PBHICJAKSA-N 1 2 346.431 0.954 20 30 ECEDLO CCONC(=O)CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000845552092 589159347 /nfs/dbraw/zinc/15/93/47/589159347.db2.gz JKLQFJWAWTYMPV-UHFFFAOYSA-N 1 2 347.419 0.699 20 30 ECEDLO CN1CC[NH+](Cc2ccc(C(=O)N[C@@H]3CCCN(O)C3=O)cc2)CC1 ZINC000848136510 589279506 /nfs/dbraw/zinc/27/95/06/589279506.db2.gz NYSGHDNKBWPNTB-MRXNPFEDSA-N 1 2 346.431 0.544 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CC(O)(c3ccc(Cl)cc3)C2)CC1 ZINC000852020711 589438565 /nfs/dbraw/zinc/43/85/65/589438565.db2.gz KWTNKVBGPKQYID-UHFFFAOYSA-N 1 2 347.846 0.621 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](N3CCOC3=O)C2)cc1 ZINC000852433011 589495900 /nfs/dbraw/zinc/49/59/00/589495900.db2.gz NHSBWHFDARRVOE-AWEZNQCLSA-N 1 2 349.412 0.858 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](N3CCOC3=O)C2)cc1 ZINC000852433011 589495902 /nfs/dbraw/zinc/49/59/02/589495902.db2.gz NHSBWHFDARRVOE-AWEZNQCLSA-N 1 2 349.412 0.858 20 30 ECEDLO C=CCNC(=S)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000853028936 589529626 /nfs/dbraw/zinc/52/96/26/589529626.db2.gz PANFJVJNJJZWJJ-KRWDZBQOSA-N 1 2 335.473 0.900 20 30 ECEDLO C=CCNC(=S)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000853028936 589529627 /nfs/dbraw/zinc/52/96/27/589529627.db2.gz PANFJVJNJJZWJJ-KRWDZBQOSA-N 1 2 335.473 0.900 20 30 ECEDLO C[C@H]1C[N@H+](CCNC(=O)NCCNc2ccc(C#N)cn2)[C@@H](C)CO1 ZINC000853384322 589542338 /nfs/dbraw/zinc/54/23/38/589542338.db2.gz OFQMEXLJGWWONT-KBPBESRZSA-N 1 2 346.435 0.774 20 30 ECEDLO C[C@H]1C[N@@H+](CCNC(=O)NCCNc2ccc(C#N)cn2)[C@@H](C)CO1 ZINC000853384322 589542339 /nfs/dbraw/zinc/54/23/39/589542339.db2.gz OFQMEXLJGWWONT-KBPBESRZSA-N 1 2 346.435 0.774 20 30 ECEDLO Cn1cc(C[C@@H]2CC(=O)N(C[N@@H+]3CCC[C@@H](CC#N)C3)C2=O)cn1 ZINC000853523783 589545953 /nfs/dbraw/zinc/54/59/53/589545953.db2.gz GYSCUFBCYKNXRU-DZGCQCFKSA-N 1 2 329.404 0.921 20 30 ECEDLO Cn1cc(C[C@@H]2CC(=O)N(C[N@H+]3CCC[C@@H](CC#N)C3)C2=O)cn1 ZINC000853523783 589545955 /nfs/dbraw/zinc/54/59/55/589545955.db2.gz GYSCUFBCYKNXRU-DZGCQCFKSA-N 1 2 329.404 0.921 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN=[S@](=O)(c2ccccc2)N(C)C)CC1 ZINC000853722030 589556613 /nfs/dbraw/zinc/55/66/13/589556613.db2.gz BAZNWKSZKZVUOV-XMMPIXPASA-N 1 2 348.472 0.768 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCN3C=O)CC2)cc1 ZINC000854248872 589576652 /nfs/dbraw/zinc/57/66/52/589576652.db2.gz MLEDEDJORJDMDI-QGZVFWFLSA-N 1 2 326.400 0.823 20 30 ECEDLO O=C(C#CC1CC1)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000856077941 589653895 /nfs/dbraw/zinc/65/38/95/589653895.db2.gz KJOCBINOTKKHGU-IBGZPJMESA-N 1 2 328.412 0.780 20 30 ECEDLO O=C(C#CC1CC1)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000856077941 589653897 /nfs/dbraw/zinc/65/38/97/589653897.db2.gz KJOCBINOTKKHGU-IBGZPJMESA-N 1 2 328.412 0.780 20 30 ECEDLO C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2[nH+]ccn2C)c1 ZINC000856275900 589658676 /nfs/dbraw/zinc/65/86/76/589658676.db2.gz JXHSNFPOGGTKAU-GFCCVEGCSA-N 1 2 346.412 0.823 20 30 ECEDLO C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)c1 ZINC000857890869 589715785 /nfs/dbraw/zinc/71/57/85/589715785.db2.gz ONWVGHJAXNRENU-ZDUSSCGKSA-N 1 2 344.396 0.149 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000866422510 589740761 /nfs/dbraw/zinc/74/07/61/589740761.db2.gz FCWDXJIDXDPKNJ-OAHLLOKOSA-N 1 2 342.399 0.805 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000860146451 589747743 /nfs/dbraw/zinc/74/77/43/589747743.db2.gz HRHFBXIWEJTLIK-GFCCVEGCSA-N 1 2 331.372 0.466 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000860146451 589747746 /nfs/dbraw/zinc/74/77/46/589747746.db2.gz HRHFBXIWEJTLIK-GFCCVEGCSA-N 1 2 331.372 0.466 20 30 ECEDLO Cc1cc(C#N)cnc1C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870059936 589992744 /nfs/dbraw/zinc/99/27/44/589992744.db2.gz OWDAUWANGVOZNJ-HNNXBMFYSA-N 1 2 330.388 0.435 20 30 ECEDLO C#CCOc1ccc(C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000870067454 589995850 /nfs/dbraw/zinc/99/58/50/589995850.db2.gz NGGJIMJMYAQLLO-SFHVURJKSA-N 1 2 344.411 0.872 20 30 ECEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000863326560 590004628 /nfs/dbraw/zinc/00/46/28/590004628.db2.gz ORTMQPRTFXPUTC-HNNXBMFYSA-N 1 2 340.387 0.659 20 30 ECEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000863326560 590004631 /nfs/dbraw/zinc/00/46/31/590004631.db2.gz ORTMQPRTFXPUTC-HNNXBMFYSA-N 1 2 340.387 0.659 20 30 ECEDLO Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)c(C#N)c1 ZINC000871806575 590087498 /nfs/dbraw/zinc/08/74/98/590087498.db2.gz DKWGAJMCPGVGAN-CQSZACIVSA-N 1 2 345.428 0.935 20 30 ECEDLO CC(=O)Nc1cccc(C=NNC(=S)NCC[NH+]2CCOCC2)c1 ZINC000872329049 590114925 /nfs/dbraw/zinc/11/49/25/590114925.db2.gz JGZQSGCYLISHPE-UHFFFAOYSA-N 1 2 349.460 0.775 20 30 ECEDLO Cc1cccc(C#N)c1S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000872498540 590121628 /nfs/dbraw/zinc/12/16/28/590121628.db2.gz XGFBHFLJAKJHFC-KGLIPLIRSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cccc(C#N)c1S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000872498540 590121630 /nfs/dbraw/zinc/12/16/30/590121630.db2.gz XGFBHFLJAKJHFC-KGLIPLIRSA-N 1 2 337.445 0.942 20 30 ECEDLO C#CCNC(=O)C1CCN(C(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)CC1 ZINC000865062203 590122886 /nfs/dbraw/zinc/12/28/86/590122886.db2.gz VGXRVSMTPYIXCD-CQSZACIVSA-N 1 2 341.402 0.952 20 30 ECEDLO C#CCNC(=O)C1CCN(C(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)CC1 ZINC000865062203 590122888 /nfs/dbraw/zinc/12/28/88/590122888.db2.gz VGXRVSMTPYIXCD-CQSZACIVSA-N 1 2 341.402 0.952 20 30 ECEDLO N#C[C@]1(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCCOC1 ZINC000865156717 590127991 /nfs/dbraw/zinc/12/79/91/590127991.db2.gz OGKGYVRCYYQZGY-MRXNPFEDSA-N 1 2 333.392 0.474 20 30 ECEDLO C[N@H+](CCc1cccc(C#N)c1)CN1CC2(CCOCC2)[C@H](O)C1=O ZINC000872705715 590143535 /nfs/dbraw/zinc/14/35/35/590143535.db2.gz WHRVLCHSVDMTCM-QGZVFWFLSA-N 1 2 343.427 0.990 20 30 ECEDLO C[N@@H+](CCc1cccc(C#N)c1)CN1CC2(CCOCC2)[C@H](O)C1=O ZINC000872705715 590143537 /nfs/dbraw/zinc/14/35/37/590143537.db2.gz WHRVLCHSVDMTCM-QGZVFWFLSA-N 1 2 343.427 0.990 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000875044009 590264759 /nfs/dbraw/zinc/26/47/59/590264759.db2.gz PDQZQDLWQSOZJL-OAHLLOKOSA-N 1 2 346.431 0.699 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000875289343 590290293 /nfs/dbraw/zinc/29/02/93/590290293.db2.gz DJCBTXJDRIYMSW-HUUCEWRRSA-N 1 2 344.415 0.321 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000875596368 590312005 /nfs/dbraw/zinc/31/20/05/590312005.db2.gz LLIKIMOYLUUGNK-ZIAGYGMSSA-N 1 2 332.404 0.281 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000875603138 590313926 /nfs/dbraw/zinc/31/39/26/590313926.db2.gz RPWLOQSDVQNAIW-HNNXBMFYSA-N 1 2 344.415 0.193 20 30 ECEDLO Cc1sc(NC(=O)C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c(C#N)c1C ZINC000879533192 590320025 /nfs/dbraw/zinc/32/00/25/590320025.db2.gz BYJKZKFXEQFBJI-TXEJJXNPSA-N 1 2 346.412 0.722 20 30 ECEDLO Cc1sc(NC(=O)C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c(C#N)c1C ZINC000879533192 590320027 /nfs/dbraw/zinc/32/00/27/590320027.db2.gz BYJKZKFXEQFBJI-TXEJJXNPSA-N 1 2 346.412 0.722 20 30 ECEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000879717687 590337450 /nfs/dbraw/zinc/33/74/50/590337450.db2.gz HPVUIOKBUJYYLP-NVXWUHKLSA-N 1 2 345.399 0.925 20 30 ECEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000879717687 590337452 /nfs/dbraw/zinc/33/74/52/590337452.db2.gz HPVUIOKBUJYYLP-NVXWUHKLSA-N 1 2 345.399 0.925 20 30 ECEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCNC(=O)CC23CCC3)c1 ZINC000880170843 590374680 /nfs/dbraw/zinc/37/46/80/590374680.db2.gz QSVBTJMJVBRSLE-UHFFFAOYSA-N 1 2 326.400 0.919 20 30 ECEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCNC(=O)CC23CCC3)c1 ZINC000880170843 590374683 /nfs/dbraw/zinc/37/46/83/590374683.db2.gz QSVBTJMJVBRSLE-UHFFFAOYSA-N 1 2 326.400 0.919 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2cc(S(=O)(=O)NCC)ccc2C)CC1 ZINC000128272370 590375922 /nfs/dbraw/zinc/37/59/22/590375922.db2.gz CXFWUIDPUNAYLQ-UHFFFAOYSA-N 1 2 349.456 0.684 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CC[C@@](OC)(C(F)(F)F)C2)CC1 ZINC000880302547 590382247 /nfs/dbraw/zinc/38/22/47/590382247.db2.gz HGDDMHXPAAQARU-AWEZNQCLSA-N 1 2 333.354 0.417 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@](OC)(C(F)(F)F)C2)CC1 ZINC000880302547 590382250 /nfs/dbraw/zinc/38/22/50/590382250.db2.gz HGDDMHXPAAQARU-AWEZNQCLSA-N 1 2 333.354 0.417 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000128354907 590383672 /nfs/dbraw/zinc/38/36/72/590383672.db2.gz CWJNBIYUKPXRAU-GASCZTMLSA-N 1 2 331.416 0.329 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C)nc2C#N)CC1 ZINC000881918922 590492246 /nfs/dbraw/zinc/49/22/46/590492246.db2.gz HLXQWLZFUAADBA-OAHLLOKOSA-N 1 2 345.447 0.925 20 30 ECEDLO C#CC[C@H](CO)NC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000878132558 590501223 /nfs/dbraw/zinc/50/12/23/590501223.db2.gz YXMXZXDMHFLCLL-CQSZACIVSA-N 1 2 344.415 0.580 20 30 ECEDLO C=CC[C@@H](C(=O)OC)[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000878559394 590528943 /nfs/dbraw/zinc/52/89/43/590528943.db2.gz FQQAIBPZJMHHKS-AWEZNQCLSA-N 1 2 330.450 0.994 20 30 ECEDLO C=C(C)C[C@H](CO)NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000883183072 590608368 /nfs/dbraw/zinc/60/83/68/590608368.db2.gz RBLJUZPGIDTRFE-GDBMZVCRSA-N 1 2 343.493 0.821 20 30 ECEDLO C#CC1(F)CN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000883184313 590608545 /nfs/dbraw/zinc/60/85/45/590608545.db2.gz ULDLXHYSLFYJEP-OAHLLOKOSA-N 1 2 327.425 0.561 20 30 ECEDLO N#CCCc1ccc(S(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000885268737 590701167 /nfs/dbraw/zinc/70/11/67/590701167.db2.gz QTCQYWDJSFBQBL-OAHLLOKOSA-N 1 2 335.429 0.582 20 30 ECEDLO N#CCCc1ccc(S(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000885268737 590701169 /nfs/dbraw/zinc/70/11/69/590701169.db2.gz QTCQYWDJSFBQBL-OAHLLOKOSA-N 1 2 335.429 0.582 20 30 ECEDLO N#C[C@@]12CN(C(=O)[C@@H]3CC[N@@H+]3C3CCCC3)C[C@@H]1CS(=O)(=O)C2 ZINC000885310728 590713153 /nfs/dbraw/zinc/71/31/53/590713153.db2.gz HSNFMGNSCWYIQV-INWMFGNUSA-N 1 2 337.445 0.400 20 30 ECEDLO N#C[C@@]12CN(C(=O)[C@@H]3CC[N@H+]3C3CCCC3)C[C@@H]1CS(=O)(=O)C2 ZINC000885310728 590713156 /nfs/dbraw/zinc/71/31/56/590713156.db2.gz HSNFMGNSCWYIQV-INWMFGNUSA-N 1 2 337.445 0.400 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)[C@@H](CCC)C(=O)OCC)C1 ZINC000885509830 590729332 /nfs/dbraw/zinc/72/93/32/590729332.db2.gz XTRFESSKYNBRPT-KBPBESRZSA-N 1 2 330.450 0.735 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)[C@@H](CCC)C(=O)OCC)C1 ZINC000885509830 590729335 /nfs/dbraw/zinc/72/93/35/590729335.db2.gz XTRFESSKYNBRPT-KBPBESRZSA-N 1 2 330.450 0.735 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1cnn(CC(F)(F)F)c1 ZINC000884164517 590759565 /nfs/dbraw/zinc/75/95/65/590759565.db2.gz IXGAFFKPHFIUIU-JTQLQIEISA-N 1 2 334.298 0.508 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCc2ccc(C(=O)OC)cc2C1 ZINC000884318017 590803727 /nfs/dbraw/zinc/80/37/27/590803727.db2.gz KAAXHENTHSFABG-HNNXBMFYSA-N 1 2 346.383 0.805 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000884409600 590822390 /nfs/dbraw/zinc/82/23/90/590822390.db2.gz NOIDEGUAEFIFQX-QLFBSQMISA-N 1 2 334.420 0.694 20 30 ECEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886796657 590883824 /nfs/dbraw/zinc/88/38/24/590883824.db2.gz HJKMXTXLVRANIO-CYBMUJFWSA-N 1 2 332.326 0.889 20 30 ECEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886796657 590883825 /nfs/dbraw/zinc/88/38/25/590883825.db2.gz HJKMXTXLVRANIO-CYBMUJFWSA-N 1 2 332.326 0.889 20 30 ECEDLO C#CCN1C(=O)C[C@@H]([N@H+]2CCc3cc(C(=O)OC)ccc3C2)C1=O ZINC000887303485 590958863 /nfs/dbraw/zinc/95/88/63/590958863.db2.gz VFEHAEXBRNMZGE-OAHLLOKOSA-N 1 2 326.352 0.592 20 30 ECEDLO C#CCN1C(=O)C[C@@H]([N@@H+]2CCc3cc(C(=O)OC)ccc3C2)C1=O ZINC000887303485 590958865 /nfs/dbraw/zinc/95/88/65/590958865.db2.gz VFEHAEXBRNMZGE-OAHLLOKOSA-N 1 2 326.352 0.592 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2OC)C1 ZINC000946632528 611376526 /nfs/dbraw/zinc/37/65/26/611376526.db2.gz FXPJSPOINDZZMH-HUUCEWRRSA-N 1 2 346.431 0.661 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C ZINC000948202229 611465247 /nfs/dbraw/zinc/46/52/47/611465247.db2.gz SXXUEYQWTHLSPN-MEBBXXQBSA-N 1 2 340.387 0.737 20 30 ECEDLO C#CC1(O)CC[NH+](CC(=O)NCC(=O)Nc2ccccc2CC)CC1 ZINC000931144294 611511077 /nfs/dbraw/zinc/51/10/77/611511077.db2.gz YVRYYGXIQAATPJ-UHFFFAOYSA-N 1 2 343.427 0.764 20 30 ECEDLO C#CC1(O)CC[NH+](CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)CC1 ZINC000931147321 611511404 /nfs/dbraw/zinc/51/14/04/611511404.db2.gz XIBVASXIOHFEMF-UHFFFAOYSA-N 1 2 341.367 0.311 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@]23C[C@H]2COC32CCC2)CC1 ZINC000932036424 611594388 /nfs/dbraw/zinc/59/43/88/611594388.db2.gz CZGFIRSIJYVLME-KXBFYZLASA-N 1 2 345.443 0.229 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@]23C[C@H]2COC32CCC2)CC1 ZINC000932036424 611594389 /nfs/dbraw/zinc/59/43/89/611594389.db2.gz CZGFIRSIJYVLME-KXBFYZLASA-N 1 2 345.443 0.229 20 30 ECEDLO CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000937351839 608613123 /nfs/dbraw/zinc/61/31/23/608613123.db2.gz HBTOAGXLTWCVLO-WBVHZDCISA-N 1 2 340.427 0.918 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)[C@H](C)C2)C1 ZINC000947701958 611659042 /nfs/dbraw/zinc/65/90/42/611659042.db2.gz HOLUIUXSDYCFFX-OLZOCXBDSA-N 1 2 333.436 0.934 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)[C@H](C)C2)C1 ZINC000947701958 611659044 /nfs/dbraw/zinc/65/90/44/611659044.db2.gz HOLUIUXSDYCFFX-OLZOCXBDSA-N 1 2 333.436 0.934 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3cnn(C)n3)[C@@H](C)C2)c1 ZINC000947711654 608934349 /nfs/dbraw/zinc/93/43/49/608934349.db2.gz XSTKLWSGCYYUSY-BBRMVZONSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(C)n3)[C@@H](C)C2)c1 ZINC000947711654 608934351 /nfs/dbraw/zinc/93/43/51/608934351.db2.gz XSTKLWSGCYYUSY-BBRMVZONSA-N 1 2 338.415 0.974 20 30 ECEDLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000937065178 608945857 /nfs/dbraw/zinc/94/58/57/608945857.db2.gz OZPHBCNLUOLKAM-ZDUSSCGKSA-N 1 2 326.360 0.525 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1cnn(C)n1 ZINC000947217543 608964253 /nfs/dbraw/zinc/96/42/53/608964253.db2.gz OCVHJSSDFOQUKL-VXGBXAGGSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1cnn(C)n1 ZINC000947217543 608964257 /nfs/dbraw/zinc/96/42/57/608964257.db2.gz OCVHJSSDFOQUKL-VXGBXAGGSA-N 1 2 327.392 0.798 20 30 ECEDLO C=CCOC[C@H](NC(=O)/C=C(\C)C[NH+]1CCOCC1)C(=O)OC ZINC000907926607 609631000 /nfs/dbraw/zinc/63/10/00/609631000.db2.gz BBKZDPRHFNUTHL-UELRPHRMSA-N 1 2 326.393 0.125 20 30 ECEDLO C[NH+](C)CC#CCNC(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000913516413 609684668 /nfs/dbraw/zinc/68/46/68/609684668.db2.gz OVXFVIFJEQMBQZ-UHFFFAOYSA-N 1 2 330.413 0.366 20 30 ECEDLO C[N@@H+]1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C[C@H]1CO ZINC000913544003 609689821 /nfs/dbraw/zinc/68/98/21/609689821.db2.gz UXGMLIPUCDNMTP-CABCVRRESA-N 1 2 346.406 0.659 20 30 ECEDLO C[N@H+]1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C[C@H]1CO ZINC000913544003 609689823 /nfs/dbraw/zinc/68/98/23/609689823.db2.gz UXGMLIPUCDNMTP-CABCVRRESA-N 1 2 346.406 0.659 20 30 ECEDLO C=C(C)CNC(=S)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000055354318 609697836 /nfs/dbraw/zinc/69/78/36/609697836.db2.gz KOBSOLICZHVVCZ-UHFFFAOYSA-N 1 2 331.449 0.936 20 30 ECEDLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)Cc2csc(C#N)c2)CC1 ZINC000914153411 609859655 /nfs/dbraw/zinc/85/96/55/609859655.db2.gz AQAAOEFEOYDWNO-LLVKDONJSA-N 1 2 329.447 0.448 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000938712940 609958240 /nfs/dbraw/zinc/95/82/40/609958240.db2.gz MSTYVEKFPBTNEI-AWEZNQCLSA-N 1 2 340.387 0.915 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000938712940 609958242 /nfs/dbraw/zinc/95/82/42/609958242.db2.gz MSTYVEKFPBTNEI-AWEZNQCLSA-N 1 2 340.387 0.915 20 30 ECEDLO C#CCC1(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCC1 ZINC000917789712 609984182 /nfs/dbraw/zinc/98/41/82/609984182.db2.gz URJLIKLWOJIVPZ-UHFFFAOYSA-N 1 2 341.477 0.741 20 30 ECEDLO C[N@@H+]1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@@H](CO)C1 ZINC000912739315 609996299 /nfs/dbraw/zinc/99/62/99/609996299.db2.gz WHKDMJNAAXGPBV-OAHLLOKOSA-N 1 2 325.372 0.492 20 30 ECEDLO C[N@H+]1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@@H](CO)C1 ZINC000912739315 609996301 /nfs/dbraw/zinc/99/63/01/609996301.db2.gz WHKDMJNAAXGPBV-OAHLLOKOSA-N 1 2 325.372 0.492 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3csnn3)C2)nn1 ZINC000939277531 610146530 /nfs/dbraw/zinc/14/65/30/610146530.db2.gz QPQTUOSRDMNFKY-ZYHUDNBSSA-N 1 2 333.421 0.566 20 30 ECEDLO C=CCn1cc(C(=O)N(C)[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC000939306681 610157745 /nfs/dbraw/zinc/15/77/45/610157745.db2.gz KFPCKSRHDXGHEW-GFCCVEGCSA-N 1 2 343.391 0.103 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000939308217 610158143 /nfs/dbraw/zinc/15/81/43/610158143.db2.gz UWISERLCXJBHPI-OAHLLOKOSA-N 1 2 337.383 0.702 20 30 ECEDLO NC(=NOCC(=O)NCC1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181846337 610182787 /nfs/dbraw/zinc/18/27/87/610182787.db2.gz VMGJMHQDDSXAGR-MRXNPFEDSA-N 1 2 346.431 0.702 20 30 ECEDLO NC(=NOCC(=O)NCC1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181846337 610182788 /nfs/dbraw/zinc/18/27/88/610182788.db2.gz VMGJMHQDDSXAGR-MRXNPFEDSA-N 1 2 346.431 0.702 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)[nH]1 ZINC000940063945 610199188 /nfs/dbraw/zinc/19/91/88/610199188.db2.gz QTJSSCANWRLHLE-CYBMUJFWSA-N 1 2 326.360 0.504 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c[nH]1 ZINC000940095527 610206929 /nfs/dbraw/zinc/20/69/29/610206929.db2.gz SBATUZYNKMEVDZ-MRVWCRGKSA-N 1 2 338.371 0.744 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c[nH]1 ZINC000940095527 610206931 /nfs/dbraw/zinc/20/69/31/610206931.db2.gz SBATUZYNKMEVDZ-MRVWCRGKSA-N 1 2 338.371 0.744 20 30 ECEDLO CC(C)(C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1)c1c[nH+]c[nH]1 ZINC000940099091 610208240 /nfs/dbraw/zinc/20/82/40/610208240.db2.gz QDVUOTCBNKDDBT-GFCCVEGCSA-N 1 2 340.387 0.918 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000940379524 610276733 /nfs/dbraw/zinc/27/67/33/610276733.db2.gz KUKIBULULGYNSD-SYQHCUMBSA-N 1 2 332.404 0.506 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)CC2)C1 ZINC000941428151 610301645 /nfs/dbraw/zinc/30/16/45/610301645.db2.gz LEJAWEFXJJKEEK-HNNXBMFYSA-N 1 2 346.475 0.095 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3ccc(F)cc3F)CC2)C1 ZINC000941416852 610304451 /nfs/dbraw/zinc/30/44/51/610304451.db2.gz PFNJNHAKZVUBTB-UHFFFAOYSA-N 1 2 333.382 0.969 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cncc4ncn(C)c43)CC2)C1 ZINC000941443843 610308770 /nfs/dbraw/zinc/30/87/70/610308770.db2.gz VGHYXFKYAWQAJT-UHFFFAOYSA-N 1 2 338.415 0.044 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnn(-c4ccccc4)c3)CC2)C1 ZINC000941475878 610332082 /nfs/dbraw/zinc/33/20/82/610332082.db2.gz BEXHOMPDZZIYFE-UHFFFAOYSA-N 1 2 349.438 0.948 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(F)c(OC)c3)CC2)C1 ZINC000941574587 610379455 /nfs/dbraw/zinc/37/94/55/610379455.db2.gz KBQUJCDQDMUKOU-UHFFFAOYSA-N 1 2 331.391 0.910 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)Oc3cccnc3)CC2)C1 ZINC000941559767 610382287 /nfs/dbraw/zinc/38/22/87/610382287.db2.gz KVESJRFIQWCSOA-MRXNPFEDSA-N 1 2 342.443 0.701 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c4ccccc4nn3C)CC2)C1 ZINC000941626931 610416172 /nfs/dbraw/zinc/41/61/72/610416172.db2.gz ZDMKEXCKFBISQV-UHFFFAOYSA-N 1 2 337.427 0.649 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c(C)nn(CCC)c3C)CC2)C1 ZINC000941630198 610417447 /nfs/dbraw/zinc/41/74/47/610417447.db2.gz HLMCDGNMCYWHLX-UHFFFAOYSA-N 1 2 343.475 0.985 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc4nccnc4c3)CC2)C1 ZINC000941660031 610433406 /nfs/dbraw/zinc/43/34/06/610433406.db2.gz CLOOLZWUQCQPFN-UHFFFAOYSA-N 1 2 335.411 0.705 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)C1 ZINC000941651005 610440971 /nfs/dbraw/zinc/44/09/71/610440971.db2.gz NRSGGDXFOYLSIE-UHFFFAOYSA-N 1 2 326.444 0.828 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)cc1 ZINC000941679704 610452694 /nfs/dbraw/zinc/45/26/94/610452694.db2.gz WLLSYQRLQRWTCC-MRXNPFEDSA-N 1 2 336.395 0.975 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3CCC(NC(C)=O)CC3)CC2)C1 ZINC000941686450 610464159 /nfs/dbraw/zinc/46/41/59/610464159.db2.gz JVXYJVIOKAEGJF-UHFFFAOYSA-N 1 2 346.475 0.143 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000942450466 610465848 /nfs/dbraw/zinc/46/58/48/610465848.db2.gz LQNFECBQWQRTRP-NFAWXSAZSA-N 1 2 332.404 0.569 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC2(C)CC2)C[C@H]1OC ZINC000942516476 610495763 /nfs/dbraw/zinc/49/57/63/610495763.db2.gz FWVKOTYTCXKORL-OWCLPIDISA-N 1 2 347.459 0.616 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC2(C)CC2)C[C@H]1OC ZINC000942516476 610495766 /nfs/dbraw/zinc/49/57/66/610495766.db2.gz FWVKOTYTCXKORL-OWCLPIDISA-N 1 2 347.459 0.616 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3cn(C)nn3)C[C@@H]2C)c1 ZINC000942617504 610539322 /nfs/dbraw/zinc/53/93/22/610539322.db2.gz QCFBHXLSMOVEMI-GUYCJALGSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nn3)C[C@@H]2C)c1 ZINC000942617504 610539323 /nfs/dbraw/zinc/53/93/23/610539323.db2.gz QCFBHXLSMOVEMI-GUYCJALGSA-N 1 2 338.415 0.832 20 30 ECEDLO CO[C@@H](C)C(=O)N1CCN(C2C[NH+](Cc3cccc(C#N)c3)C2)CC1 ZINC000941332124 610668384 /nfs/dbraw/zinc/66/83/84/610668384.db2.gz BWNYBLGOSAEDFJ-HNNXBMFYSA-N 1 2 342.443 0.922 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nncn3C)C[C@@H]2C)nc1 ZINC000944191679 610775708 /nfs/dbraw/zinc/77/57/08/610775708.db2.gz DGASRJPVZXJQPZ-ZFWWWQNUSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nncn3C)C[C@@H]2C)nc1 ZINC000944191679 610775710 /nfs/dbraw/zinc/77/57/10/610775710.db2.gz DGASRJPVZXJQPZ-ZFWWWQNUSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnn(C)n3)C[C@H]2C)nc1 ZINC000944193313 610776589 /nfs/dbraw/zinc/77/65/89/610776589.db2.gz UYJGHIJXYOJBKY-CZUORRHYSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cnn(C)n3)C[C@H]2C)nc1 ZINC000944193313 610776591 /nfs/dbraw/zinc/77/65/91/610776591.db2.gz UYJGHIJXYOJBKY-CZUORRHYSA-N 1 2 338.415 0.832 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000944235339 610802415 /nfs/dbraw/zinc/80/24/15/610802415.db2.gz KWFFLVWPBBHOFQ-MCIONIFRSA-N 1 2 332.404 0.651 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1 ZINC000943591649 610906519 /nfs/dbraw/zinc/90/65/19/610906519.db2.gz MTWURVKCBNJOGC-HUUCEWRRSA-N 1 2 348.447 0.907 20 30 ECEDLO C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945278575 610994241 /nfs/dbraw/zinc/99/42/41/610994241.db2.gz RPWQWZJUDRSEHR-GXTWGEPZSA-N 1 2 340.387 0.750 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]2[C@@H](CCN2C(=O)Cn2cc[nH+]c2)C1 ZINC000945942617 611162855 /nfs/dbraw/zinc/16/28/55/611162855.db2.gz OHIOZJHLVQTAJA-JKSUJKDBSA-N 1 2 326.400 0.746 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2coc(S(=O)(=O)NC)c2)C1 ZINC000923566745 611262596 /nfs/dbraw/zinc/26/25/96/611262596.db2.gz OXZQILGMPRPMPX-LBPRGKRZSA-N 1 2 325.390 0.015 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2coc(S(=O)(=O)NC)c2)C1 ZINC000923566745 611262598 /nfs/dbraw/zinc/26/25/98/611262598.db2.gz OXZQILGMPRPMPX-LBPRGKRZSA-N 1 2 325.390 0.015 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)NC)oc2C)C1 ZINC000923569249 611264583 /nfs/dbraw/zinc/26/45/83/611264583.db2.gz NANNBJFUBVGPHY-GFCCVEGCSA-N 1 2 339.417 0.324 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)NC)oc2C)C1 ZINC000923569249 611264585 /nfs/dbraw/zinc/26/45/85/611264585.db2.gz NANNBJFUBVGPHY-GFCCVEGCSA-N 1 2 339.417 0.324 20 30 ECEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1nccnc1C(N)=O ZINC000948982829 611785141 /nfs/dbraw/zinc/78/51/41/611785141.db2.gz QTHKNOGTMSKSOK-OAHLLOKOSA-N 1 2 349.394 0.538 20 30 ECEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1nccnc1C(N)=O ZINC000948982829 611785145 /nfs/dbraw/zinc/78/51/45/611785145.db2.gz QTHKNOGTMSKSOK-OAHLLOKOSA-N 1 2 349.394 0.538 20 30 ECEDLO N#Cc1ccc(C(=O)NCC2CCN(C(=O)Cn3cc[nH+]c3)CC2)[nH]1 ZINC000949119007 611860804 /nfs/dbraw/zinc/86/08/04/611860804.db2.gz UIOQPHRDZCCMHD-UHFFFAOYSA-N 1 2 340.387 0.751 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000950739737 611874915 /nfs/dbraw/zinc/87/49/15/611874915.db2.gz ACURMADDGVCSOJ-GJZGRUSLSA-N 1 2 326.400 0.576 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCOC2(CCN(CC#N)CC2)C1 ZINC000949207309 611900139 /nfs/dbraw/zinc/90/01/39/611900139.db2.gz KKTOOVANUDFFJM-CQSZACIVSA-N 1 2 331.420 0.805 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCOC2(CCN(CC#N)CC2)C1 ZINC000949207309 611900140 /nfs/dbraw/zinc/90/01/40/611900140.db2.gz KKTOOVANUDFFJM-CQSZACIVSA-N 1 2 331.420 0.805 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000950215088 611907414 /nfs/dbraw/zinc/90/74/14/611907414.db2.gz QRHKAFNNORUSQM-XEZPLFJOSA-N 1 2 332.404 0.651 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CC1)C[N@H+](CC(=O)N1CCCC1)CCO2 ZINC000949320943 611938265 /nfs/dbraw/zinc/93/82/65/611938265.db2.gz XMEPOOKNEYZDJK-HNNXBMFYSA-N 1 2 348.447 0.462 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CC1)C[N@@H+](CC(=O)N1CCCC1)CCO2 ZINC000949320943 611938268 /nfs/dbraw/zinc/93/82/68/611938268.db2.gz XMEPOOKNEYZDJK-HNNXBMFYSA-N 1 2 348.447 0.462 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C(=O)Nc3ccccc3)CC2)C1 ZINC000949406151 611967440 /nfs/dbraw/zinc/96/74/40/611967440.db2.gz SSNAUHAURUIRAR-UHFFFAOYSA-N 1 2 341.411 0.952 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C(=O)Nc3ccccc3)CC2)C1 ZINC000949406151 611967441 /nfs/dbraw/zinc/96/74/41/611967441.db2.gz SSNAUHAURUIRAR-UHFFFAOYSA-N 1 2 341.411 0.952 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](C)[C@H]3CCC(=O)N3)CC2)C1 ZINC000949480702 611996035 /nfs/dbraw/zinc/99/60/35/611996035.db2.gz XFPOQGBNIINSPR-HUUCEWRRSA-N 1 2 333.432 0.228 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H](C)[C@H]3CCC(=O)N3)CC2)C1 ZINC000949480702 611996038 /nfs/dbraw/zinc/99/60/38/611996038.db2.gz XFPOQGBNIINSPR-HUUCEWRRSA-N 1 2 333.432 0.228 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)Cn3nnnc3C(C)C)CC2)C1 ZINC000949489718 612003141 /nfs/dbraw/zinc/00/31/41/612003141.db2.gz MZSCGCRJYYKIRQ-UHFFFAOYSA-N 1 2 346.435 0.123 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)Cn3nnnc3C(C)C)CC2)C1 ZINC000949489718 612003142 /nfs/dbraw/zinc/00/31/42/612003142.db2.gz MZSCGCRJYYKIRQ-UHFFFAOYSA-N 1 2 346.435 0.123 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000950971361 612004057 /nfs/dbraw/zinc/00/40/57/612004057.db2.gz AXFSHZLNDDLWJH-ZOBUZTSGSA-N 1 2 346.431 0.972 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN([C@H](C)c2n[nH]c(C)n2)C1 ZINC000950533156 612057796 /nfs/dbraw/zinc/05/77/96/612057796.db2.gz BFMCOAXGASIAHC-CJNGLKHVSA-N 1 2 344.463 0.804 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN([C@H](C)c2n[nH]c(C)n2)C1 ZINC000950533156 612057798 /nfs/dbraw/zinc/05/77/98/612057798.db2.gz BFMCOAXGASIAHC-CJNGLKHVSA-N 1 2 344.463 0.804 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000953157860 612184175 /nfs/dbraw/zinc/18/41/75/612184175.db2.gz DWCSLIBFMSWDFE-CXAGYDPISA-N 1 2 329.404 0.953 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)Cc2c[nH+]cn2C)cn1 ZINC000951381871 612196253 /nfs/dbraw/zinc/19/62/53/612196253.db2.gz NQXYUDOXXZKXCD-HNNXBMFYSA-N 1 2 337.383 0.370 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC000953185307 612196402 /nfs/dbraw/zinc/19/64/02/612196402.db2.gz HGAUYXVSOVIJIL-SUMWQHHRSA-N 1 2 329.404 0.953 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC000953185307 612196404 /nfs/dbraw/zinc/19/64/04/612196404.db2.gz HGAUYXVSOVIJIL-SUMWQHHRSA-N 1 2 329.404 0.953 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000953330274 612252036 /nfs/dbraw/zinc/25/20/36/612252036.db2.gz GELZBHIOSNGNBK-GDBMZVCRSA-N 1 2 326.400 0.815 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000955113324 612271152 /nfs/dbraw/zinc/27/11/52/612271152.db2.gz IDJHBYCLERCNMG-KGLIPLIRSA-N 1 2 332.404 0.603 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(N(C)C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000954498796 612333688 /nfs/dbraw/zinc/33/36/88/612333688.db2.gz QICDIFLAEZPMPR-GFCCVEGCSA-N 1 2 346.456 0.935 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(N(C)C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000954498796 612333690 /nfs/dbraw/zinc/33/36/90/612333690.db2.gz QICDIFLAEZPMPR-GFCCVEGCSA-N 1 2 346.456 0.935 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000953848345 612349117 /nfs/dbraw/zinc/34/91/17/612349117.db2.gz MHBHTFCTIKISBG-UHFFFAOYSA-N 1 2 340.387 0.846 20 30 ECEDLO C=CCCn1cc(C(=O)N(CC)C2C[NH+](CCn3cccn3)C2)nn1 ZINC000952429534 612426720 /nfs/dbraw/zinc/42/67/20/612426720.db2.gz QZZDCKUFMADZQZ-UHFFFAOYSA-N 1 2 343.435 0.897 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC000954081137 612641679 /nfs/dbraw/zinc/64/16/79/612641679.db2.gz HTTKPSLXQOXKNO-UHFFFAOYSA-N 1 2 326.360 0.443 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)Cn2cc[nH+]c2)nc1 ZINC000956078345 612682376 /nfs/dbraw/zinc/68/23/76/612682376.db2.gz NJPIRJHXOUSYAZ-HNNXBMFYSA-N 1 2 337.383 0.680 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000955613764 612708144 /nfs/dbraw/zinc/70/81/44/612708144.db2.gz PFCCPEBTPZWLLZ-TZMCWYRMSA-N 1 2 340.387 0.892 20 30 ECEDLO CCCC[N@@H+]1CCOC[C@H]1C(=O)N(C)C1CN(C(=O)C#CC2CC2)C1 ZINC000954818376 612711560 /nfs/dbraw/zinc/71/15/60/612711560.db2.gz CBRVFJLVXWGNMF-KRWDZBQOSA-N 1 2 347.459 0.570 20 30 ECEDLO CCCC[N@H+]1CCOC[C@H]1C(=O)N(C)C1CN(C(=O)C#CC2CC2)C1 ZINC000954818376 612711563 /nfs/dbraw/zinc/71/15/63/612711563.db2.gz CBRVFJLVXWGNMF-KRWDZBQOSA-N 1 2 347.459 0.570 20 30 ECEDLO CCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000956592751 612921124 /nfs/dbraw/zinc/92/11/24/612921124.db2.gz MVYPBLLBEBBGLR-CQSZACIVSA-N 1 2 329.404 0.655 20 30 ECEDLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(C#N)cn3)CC2)C1=O ZINC001164637668 719266865 /nfs/dbraw/zinc/26/68/65/719266865.db2.gz MIYATPBZQJTBBC-UHFFFAOYSA-N 1 2 343.431 0.713 20 30 ECEDLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(C#N)cn3)CC2)C1=O ZINC001164637668 719266870 /nfs/dbraw/zinc/26/68/70/719266870.db2.gz MIYATPBZQJTBBC-UHFFFAOYSA-N 1 2 343.431 0.713 20 30 ECEDLO CC(C)N(CCN(C)c1nccnc1C#N)C(=O)Cc1[nH]cc[nH+]1 ZINC001125568391 735486480 /nfs/dbraw/zinc/48/64/80/735486480.db2.gz LGYCQWJCFDHPJK-UHFFFAOYSA-N 1 2 327.392 0.987 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N(C)[C@H](C)CNc1[nH+]cnc2c1cnn2C ZINC001104540610 738448210 /nfs/dbraw/zinc/44/82/10/738448210.db2.gz CPMHONIFMJUSSK-BZNIZROVSA-N 1 2 332.408 0.949 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(COC)c2)[C@@H](n2ccnn2)C1 ZINC001069971991 790262463 /nfs/dbraw/zinc/26/24/63/790262463.db2.gz SSIFTEIAMITYEO-SJORKVTESA-N 1 2 339.399 0.713 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(COC)c2)[C@@H](n2ccnn2)C1 ZINC001069971991 790262469 /nfs/dbraw/zinc/26/24/69/790262469.db2.gz SSIFTEIAMITYEO-SJORKVTESA-N 1 2 339.399 0.713 20 30 ECEDLO N#Cc1ccc(C(=O)NCC[NH2+]Cc2nc(CC(F)(F)F)no2)[nH]1 ZINC001125818840 738485552 /nfs/dbraw/zinc/48/55/52/738485552.db2.gz NQMBXOIWFOEEEF-UHFFFAOYSA-N 1 2 342.281 0.894 20 30 ECEDLO CC(=O)Nc1nc(C[NH2+]CCNC(=O)c2ccc(C#N)[nH]2)cs1 ZINC001125819027 738485929 /nfs/dbraw/zinc/48/59/29/738485929.db2.gz RMNXPFOVCMXGIS-UHFFFAOYSA-N 1 2 332.389 0.821 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)C3CCC3)C2)nn1 ZINC001098595633 738517997 /nfs/dbraw/zinc/51/79/97/738517997.db2.gz UNUDHPHWCVTYHY-HNNXBMFYSA-N 1 2 346.435 0.243 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000969275028 731664555 /nfs/dbraw/zinc/66/45/55/731664555.db2.gz PMSJQOHKUKVXDO-BARDWOONSA-N 1 2 341.415 0.807 20 30 ECEDLO COc1ccc(C[NH+]2CC([C@H](C)NC(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC000969525782 731948297 /nfs/dbraw/zinc/94/82/97/731948297.db2.gz GAXZFDONXBPQLB-NSHDSACASA-N 1 2 340.387 0.935 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@H]1O ZINC001078082833 782274996 /nfs/dbraw/zinc/27/49/96/782274996.db2.gz WRWCBQWSNJRYAQ-QZTJIDSGSA-N 1 2 339.395 0.868 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@H]1O ZINC001078082833 782275005 /nfs/dbraw/zinc/27/50/05/782275005.db2.gz WRWCBQWSNJRYAQ-QZTJIDSGSA-N 1 2 339.395 0.868 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH2+]Cc1cn([C@H]2CCN(C(=O)CC)C2)nn1 ZINC001098598156 738643044 /nfs/dbraw/zinc/64/30/44/738643044.db2.gz ANOLPKVRBBVZCB-JSGCOSHPSA-N 1 2 334.424 0.242 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH2+]Cc1cn([C@H]2CCN(C(=O)CCC)C2)nn1 ZINC001098598657 738669593 /nfs/dbraw/zinc/66/95/93/738669593.db2.gz IIRRIOQKPXKSAL-ZFWWWQNUSA-N 1 2 346.435 0.079 20 30 ECEDLO N#CCN1CC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C2)C1 ZINC001041839788 782317764 /nfs/dbraw/zinc/31/77/64/782317764.db2.gz QTZCQWDWOZSZJO-WMZOPIPTSA-N 1 2 332.448 0.545 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+][C@@H](C)c3nnc(C)o3)C2)nn1 ZINC000970205875 733199552 /nfs/dbraw/zinc/19/95/52/733199552.db2.gz PGEUCIHJZSMTPK-CMPLNLGQSA-N 1 2 331.380 0.721 20 30 ECEDLO C=CCN1CC[C@@H]([NH2+]C[C@H]2CCCCN2C(=O)Cc2ncn[nH]2)C1=O ZINC001025137203 738711398 /nfs/dbraw/zinc/71/13/98/738711398.db2.gz WBYIOMHPVFODJP-ZIAGYGMSSA-N 1 2 346.435 0.105 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3nc(COC)no3)C2)cn1 ZINC000970518983 733638740 /nfs/dbraw/zinc/63/87/40/733638740.db2.gz CJSJDTUXWPOQEI-CQSZACIVSA-N 1 2 341.371 0.597 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H](C)C2C[NH+](Cc3cncn3C)C2)nn1 ZINC000970548735 733665814 /nfs/dbraw/zinc/66/58/14/733665814.db2.gz QIPGUPDXIWEVKF-LBPRGKRZSA-N 1 2 329.408 0.448 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCN(C)S2(=O)=O)C1 ZINC000970568982 733683577 /nfs/dbraw/zinc/68/35/77/733683577.db2.gz JCMDPGZNPFCUIY-ZYHUDNBSSA-N 1 2 335.857 0.209 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H](C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC000970712723 733860904 /nfs/dbraw/zinc/86/09/04/733860904.db2.gz CEYCQHSOHPCYMX-NEPJUHHUSA-N 1 2 332.404 0.570 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3nn(C)c(C)c3Cl)[C@H]2C1 ZINC001083209492 734139195 /nfs/dbraw/zinc/13/91/95/734139195.db2.gz ITJGNMFIWNITPF-QWHCGFSZSA-N 1 2 336.823 0.930 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3nn(C)c(C)c3Cl)[C@H]2C1 ZINC001083209492 734139197 /nfs/dbraw/zinc/13/91/97/734139197.db2.gz ITJGNMFIWNITPF-QWHCGFSZSA-N 1 2 336.823 0.930 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn4cc(C)cnc34)[C@H]2C1 ZINC001083209911 734173857 /nfs/dbraw/zinc/17/38/57/734173857.db2.gz BOCKAADTVYSZRP-LSDHHAIUSA-N 1 2 325.372 0.196 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn4cc(C)cnc34)[C@H]2C1 ZINC001083209911 734173859 /nfs/dbraw/zinc/17/38/59/734173859.db2.gz BOCKAADTVYSZRP-LSDHHAIUSA-N 1 2 325.372 0.196 20 30 ECEDLO N#Cc1ccc(N2CCO[C@@H](CNC(=O)Cn3cc[nH+]c3)C2)nc1 ZINC001104322242 734300094 /nfs/dbraw/zinc/30/00/94/734300094.db2.gz YORILKGAFKMIQC-AWEZNQCLSA-N 1 2 326.360 0.171 20 30 ECEDLO N#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)[nH]1 ZINC000971848159 735233274 /nfs/dbraw/zinc/23/32/74/735233274.db2.gz QUDYTFUXDQIRCP-BXUZGUMPSA-N 1 2 338.371 0.525 20 30 ECEDLO N#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@H]32)[nH]1 ZINC000971850717 735236088 /nfs/dbraw/zinc/23/60/88/735236088.db2.gz DMQWOARFVVLPEQ-IUODEOHRSA-N 1 2 338.371 0.456 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3cnn(C)c3C)C2)C1 ZINC000972399005 736123064 /nfs/dbraw/zinc/12/30/64/736123064.db2.gz IERSKTHCOSGXNK-SFHVURJKSA-N 1 2 330.432 0.598 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3cnn(C)c3C)C2)C1 ZINC000972399005 736123068 /nfs/dbraw/zinc/12/30/68/736123068.db2.gz IERSKTHCOSGXNK-SFHVURJKSA-N 1 2 330.432 0.598 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCn4ccnc4C3)C2)C1 ZINC000972441659 736201999 /nfs/dbraw/zinc/20/19/99/736201999.db2.gz UNSLNLXIERCTTQ-APWZRJJASA-N 1 2 342.443 0.772 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCn4ccnc4C3)C2)C1 ZINC000972441659 736202001 /nfs/dbraw/zinc/20/20/01/736202001.db2.gz UNSLNLXIERCTTQ-APWZRJJASA-N 1 2 342.443 0.772 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCn4nccc43)C2)C1 ZINC000972441904 736205131 /nfs/dbraw/zinc/20/51/31/736205131.db2.gz WEQOTWNLJDKFOL-YJBOKZPZSA-N 1 2 328.416 0.697 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCn4nccc43)C2)C1 ZINC000972441904 736205134 /nfs/dbraw/zinc/20/51/34/736205134.db2.gz WEQOTWNLJDKFOL-YJBOKZPZSA-N 1 2 328.416 0.697 20 30 ECEDLO C#CCN1CCO[C@]2(CCN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC000972445049 736212813 /nfs/dbraw/zinc/21/28/13/736212813.db2.gz YVNFHFOCXUTBFW-QGZVFWFLSA-N 1 2 332.404 0.286 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnn(C)c3CC)C2)C1 ZINC000972447857 736223231 /nfs/dbraw/zinc/22/32/31/736223231.db2.gz UDQOJRSQFKHLRD-SFHVURJKSA-N 1 2 330.432 0.923 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnn(C)c3CC)C2)C1 ZINC000972447857 736223236 /nfs/dbraw/zinc/22/32/36/736223236.db2.gz UDQOJRSQFKHLRD-SFHVURJKSA-N 1 2 330.432 0.923 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccnc4c3CC(=O)N4)C2)C1 ZINC000972449130 736226123 /nfs/dbraw/zinc/22/61/23/736226123.db2.gz HZJIIHZCRXFZMD-GOSISDBHSA-N 1 2 342.399 0.679 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccnc4c3CC(=O)N4)C2)C1 ZINC000972449130 736226129 /nfs/dbraw/zinc/22/61/29/736226129.db2.gz HZJIIHZCRXFZMD-GOSISDBHSA-N 1 2 342.399 0.679 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)ccc3=O)C2)C1 ZINC000972458547 736252206 /nfs/dbraw/zinc/25/22/06/736252206.db2.gz LYFAPYKKPBAALV-SFHVURJKSA-N 1 2 331.416 0.878 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)ccc3=O)C2)C1 ZINC000972458547 736252208 /nfs/dbraw/zinc/25/22/08/736252208.db2.gz LYFAPYKKPBAALV-SFHVURJKSA-N 1 2 331.416 0.878 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3ncc4cccnc43)C2)C1 ZINC000972470536 736277987 /nfs/dbraw/zinc/27/79/87/736277987.db2.gz DKTPUBCIKSQIST-GOSISDBHSA-N 1 2 339.399 0.368 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3ncc4cccnc43)C2)C1 ZINC000972470536 736277990 /nfs/dbraw/zinc/27/79/90/736277990.db2.gz DKTPUBCIKSQIST-GOSISDBHSA-N 1 2 339.399 0.368 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](OC)c3cnn(C)c3)C2)C1 ZINC000972481150 736310201 /nfs/dbraw/zinc/31/02/01/736310201.db2.gz YDUKOEFRRITFCZ-RDJZCZTQSA-N 1 2 334.420 0.597 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](OC)c3cnn(C)c3)C2)C1 ZINC000972481150 736310205 /nfs/dbraw/zinc/31/02/05/736310205.db2.gz YDUKOEFRRITFCZ-RDJZCZTQSA-N 1 2 334.420 0.597 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H](C)OC2(CC[NH+](Cc3cnon3)CC2)C1 ZINC001098574301 736400197 /nfs/dbraw/zinc/40/01/97/736400197.db2.gz HESBYFPNZZBENC-OLZOCXBDSA-N 1 2 333.392 0.811 20 30 ECEDLO N#Cc1ccc(NCC2(O)CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)nc1 ZINC001067487238 736547929 /nfs/dbraw/zinc/54/79/29/736547929.db2.gz JJLMDYLPGMEEMB-UHFFFAOYSA-N 1 2 340.387 0.684 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@]2(C1)CN(CC#N)CCO2 ZINC000972557938 736757374 /nfs/dbraw/zinc/75/73/74/736757374.db2.gz VASQWPBLNXHZRY-CKEIUWERSA-N 1 2 329.404 0.350 20 30 ECEDLO N#CCN1CCC[C@H](CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001023510560 736941947 /nfs/dbraw/zinc/94/19/47/736941947.db2.gz NDWYIPWRZQNIMF-IAGOWNOFSA-N 1 2 334.464 0.839 20 30 ECEDLO N#CCN1CCC[C@H](CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001023510560 736941952 /nfs/dbraw/zinc/94/19/52/736941952.db2.gz NDWYIPWRZQNIMF-IAGOWNOFSA-N 1 2 334.464 0.839 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3nc(C)no3)C2)nn1 ZINC001023637631 737124271 /nfs/dbraw/zinc/12/42/71/737124271.db2.gz QEUOENQPGCZMFW-CYBMUJFWSA-N 1 2 345.407 0.798 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3nc(C)no3)C2)nn1 ZINC001023637631 737124276 /nfs/dbraw/zinc/12/42/76/737124276.db2.gz QEUOENQPGCZMFW-CYBMUJFWSA-N 1 2 345.407 0.798 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cn(C)nn3)C2)nn1 ZINC001023637870 737124421 /nfs/dbraw/zinc/12/44/21/737124421.db2.gz UAFPJDGZPADERN-CYBMUJFWSA-N 1 2 344.423 0.235 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3cn(C)nn3)C2)nn1 ZINC001023637870 737124425 /nfs/dbraw/zinc/12/44/25/737124425.db2.gz UAFPJDGZPADERN-CYBMUJFWSA-N 1 2 344.423 0.235 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccnc4nc(C)nn43)C2)C1 ZINC000972633249 737172798 /nfs/dbraw/zinc/17/27/98/737172798.db2.gz AKGMPCKKAUMLCF-KRWDZBQOSA-N 1 2 342.403 0.536 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccnc4nc(C)nn43)C2)C1 ZINC000972633249 737172799 /nfs/dbraw/zinc/17/27/99/737172799.db2.gz AKGMPCKKAUMLCF-KRWDZBQOSA-N 1 2 342.403 0.536 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4n[nH]cc4C3)C2)C1 ZINC000972639306 737202320 /nfs/dbraw/zinc/20/23/20/737202320.db2.gz RGMKHICGALAZSH-KXBFYZLASA-N 1 2 342.443 0.841 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4n[nH]cc4C3)C2)C1 ZINC000972639306 737202324 /nfs/dbraw/zinc/20/23/24/737202324.db2.gz RGMKHICGALAZSH-KXBFYZLASA-N 1 2 342.443 0.841 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccn(C)c3=O)C2)C1 ZINC000972643686 737237685 /nfs/dbraw/zinc/23/76/85/737237685.db2.gz SLCFJTZRBUAPAR-GOSISDBHSA-N 1 2 329.400 0.326 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccn(C)c3=O)C2)C1 ZINC000972643686 737237688 /nfs/dbraw/zinc/23/76/88/737237688.db2.gz SLCFJTZRBUAPAR-GOSISDBHSA-N 1 2 329.400 0.326 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCN3CCCC3=O)C2)C1 ZINC000972675474 737348099 /nfs/dbraw/zinc/34/80/99/737348099.db2.gz YLZKOGDEMGWERY-GOSISDBHSA-N 1 2 333.432 0.326 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCN3CCCC3=O)C2)C1 ZINC000972675474 737348103 /nfs/dbraw/zinc/34/81/03/737348103.db2.gz YLZKOGDEMGWERY-GOSISDBHSA-N 1 2 333.432 0.326 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)Cc3c(C)n[nH]c3C)[C@H]2C1 ZINC001083279650 739092224 /nfs/dbraw/zinc/09/22/24/739092224.db2.gz JIMDICJCKNPOHA-OAUYIBNBSA-N 1 2 330.432 0.750 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)Cc3c(C)n[nH]c3C)[C@H]2C1 ZINC001083279650 739092227 /nfs/dbraw/zinc/09/22/27/739092227.db2.gz JIMDICJCKNPOHA-OAUYIBNBSA-N 1 2 330.432 0.750 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000973379552 739179567 /nfs/dbraw/zinc/17/95/67/739179567.db2.gz JUDVMXCGPDBYPC-HDJSIYSDSA-N 1 2 327.388 0.948 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)CCc3cn[nH]n3)CC2)C1=O ZINC000981989477 751422019 /nfs/dbraw/zinc/42/20/19/751422019.db2.gz FDCLXHDTTHEOGG-HNNXBMFYSA-N 1 2 346.435 0.059 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)CCc3cn[nH]n3)CC2)C1=O ZINC000981989477 751422021 /nfs/dbraw/zinc/42/20/21/751422021.db2.gz FDCLXHDTTHEOGG-HNNXBMFYSA-N 1 2 346.435 0.059 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)CCc3c[nH]nn3)CC2)C1=O ZINC000981989477 751422023 /nfs/dbraw/zinc/42/20/23/751422023.db2.gz FDCLXHDTTHEOGG-HNNXBMFYSA-N 1 2 346.435 0.059 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)CCc3c[nH]nn3)CC2)C1=O ZINC000981989477 751422024 /nfs/dbraw/zinc/42/20/24/751422024.db2.gz FDCLXHDTTHEOGG-HNNXBMFYSA-N 1 2 346.435 0.059 20 30 ECEDLO C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001104614634 739217733 /nfs/dbraw/zinc/21/77/33/739217733.db2.gz ZUMALLYHGLWEIN-ZDUSSCGKSA-N 1 2 346.435 0.718 20 30 ECEDLO C#CCOCCC(=O)N(C)[C@@H](C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001104679427 739462239 /nfs/dbraw/zinc/46/22/39/739462239.db2.gz CBDHNXQEUPHWLM-LBPRGKRZSA-N 1 2 334.424 0.545 20 30 ECEDLO N#Cc1cnc(N2CCC3(C[C@H]3NC(=O)Cn3cc[nH+]c3)CC2)cn1 ZINC001058638527 739639648 /nfs/dbraw/zinc/63/96/48/739639648.db2.gz XJWCNQUIZKLIEQ-CQSZACIVSA-N 1 2 337.387 0.720 20 30 ECEDLO Cc1c[nH+]c2cc(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)ccn12 ZINC001058656603 739835893 /nfs/dbraw/zinc/83/58/93/739835893.db2.gz HDIFUJFQIDKSAA-LBPRGKRZSA-N 1 2 343.387 0.353 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)CC2CCCC2)C1 ZINC001149129017 740115340 /nfs/dbraw/zinc/11/53/40/740115340.db2.gz FWDFZIGBMQDDLT-OAHLLOKOSA-N 1 2 336.436 0.414 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)CC2CCCC2)C1 ZINC001149129017 740115345 /nfs/dbraw/zinc/11/53/45/740115345.db2.gz FWDFZIGBMQDDLT-OAHLLOKOSA-N 1 2 336.436 0.414 20 30 ECEDLO C#CCNC(=O)CC(=O)N[C@H](CNc1cc[nH+]c(C)n1)C(C)(C)C ZINC001125866806 740458845 /nfs/dbraw/zinc/45/88/45/740458845.db2.gz CNVJYKKJADQGBW-CYBMUJFWSA-N 1 2 331.420 0.867 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3snnc3C)C2)nn1 ZINC001098607919 740534833 /nfs/dbraw/zinc/53/48/33/740534833.db2.gz IWYQRCVEIBMEPW-ZDUSSCGKSA-N 1 2 345.432 0.638 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1C ZINC001104891894 740837940 /nfs/dbraw/zinc/83/79/40/740837940.db2.gz ZKJDMXQWUMTCDC-HZSPNIEDSA-N 1 2 348.451 0.112 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000974350735 741377950 /nfs/dbraw/zinc/37/79/50/741377950.db2.gz YYCBQCDNYBZREY-IYBDPMFKSA-N 1 2 336.395 0.940 20 30 ECEDLO C=CCCC(=O)N1CC(n2cc(C[NH2+][C@H](C)C(=O)NCC=C)nn2)C1 ZINC001105185709 741449429 /nfs/dbraw/zinc/44/94/29/741449429.db2.gz SDTMYDVONXCXHO-CYBMUJFWSA-N 1 2 346.435 0.408 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cscn3)C2)nn1 ZINC001105188095 741452277 /nfs/dbraw/zinc/45/22/77/741452277.db2.gz NMPMNQCXCJTOQI-UHFFFAOYSA-N 1 2 346.416 0.171 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccn(C(F)F)n3)C2)nn1 ZINC001105249602 741558593 /nfs/dbraw/zinc/55/85/93/741558593.db2.gz XTHRDKQMWNNELO-UHFFFAOYSA-N 1 2 335.318 0.290 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C4CC4)nn3C)C2)nn1 ZINC001105252513 741561674 /nfs/dbraw/zinc/56/16/74/741561674.db2.gz VEMKSDQWTKVKRG-UHFFFAOYSA-N 1 2 339.403 0.309 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(C)nc3C(F)F)C2)nn1 ZINC001105262014 741587574 /nfs/dbraw/zinc/58/75/74/741587574.db2.gz ANFNJCHKPMCTMO-UHFFFAOYSA-N 1 2 349.345 0.369 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(OCC)n[nH]3)C2)nn1 ZINC001105266164 741603178 /nfs/dbraw/zinc/60/31/78/741603178.db2.gz NXFOOSQJSOLXMG-UHFFFAOYSA-N 1 2 343.391 0.210 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(C)c3Cl)C2)nn1 ZINC001105268783 741608990 /nfs/dbraw/zinc/60/89/90/741608990.db2.gz YTUQOGTXANXLQQ-UHFFFAOYSA-N 1 2 333.783 0.085 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc4cccn4cn3)C2)nn1 ZINC001105268511 741610820 /nfs/dbraw/zinc/61/08/20/741610820.db2.gz QLZLKLGYVZPJOI-UHFFFAOYSA-N 1 2 349.398 0.736 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc(Cl)n3C)C2)nn1 ZINC001105283903 741642377 /nfs/dbraw/zinc/64/23/77/741642377.db2.gz YMBMQURNZHSIQB-UHFFFAOYSA-N 1 2 333.783 0.085 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3nccn3C)C2)nn1 ZINC001105288825 741649470 /nfs/dbraw/zinc/64/94/70/741649470.db2.gz VRCKBVLDVPGPKC-UHFFFAOYSA-N 1 2 341.419 0.141 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H](C)c3cnn(C)c3)C2)nn1 ZINC001105292507 741656972 /nfs/dbraw/zinc/65/69/72/741656972.db2.gz SCEIHSZNWWAMKM-ZDUSSCGKSA-N 1 2 341.419 0.312 20 30 ECEDLO CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Nc1ccnc(C#N)n1 ZINC001105308482 741710529 /nfs/dbraw/zinc/71/05/29/741710529.db2.gz XRTGKZPZQRRVOF-UPJWGTAASA-N 1 2 339.403 0.850 20 30 ECEDLO CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Nc1ccnc(C#N)n1 ZINC001105308482 741710531 /nfs/dbraw/zinc/71/05/31/741710531.db2.gz XRTGKZPZQRRVOF-UPJWGTAASA-N 1 2 339.403 0.850 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](CCC)OCC)C2)nn1 ZINC001105310076 741719243 /nfs/dbraw/zinc/71/92/43/741719243.db2.gz NZFAERLALDKTTN-MRXNPFEDSA-N 1 2 333.436 0.980 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CC(n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001105318526 741767928 /nfs/dbraw/zinc/76/79/28/741767928.db2.gz DCLWLWRHMNTVTM-MRXNPFEDSA-N 1 2 334.424 0.099 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCOC[C@H]3C)C2)nn1 ZINC001105322596 741781898 /nfs/dbraw/zinc/78/18/98/741781898.db2.gz WVUWBNVOYFVMDW-CZUORRHYSA-N 1 2 331.420 0.447 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC(n3cc(C[NH2+]CCF)nn3)C2)c1 ZINC001105325667 741802659 /nfs/dbraw/zinc/80/26/59/741802659.db2.gz WAKDUQCDCCMVGM-UHFFFAOYSA-N 1 2 328.351 0.411 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](NC(=O)Cn3cnnn3)C2)c1 ZINC001006684995 751670063 /nfs/dbraw/zinc/67/00/63/751670063.db2.gz OHCNNSYVVCEYMB-AWEZNQCLSA-N 1 2 343.366 0.465 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](NC(=O)Cn3cnnn3)C2)c1 ZINC001006684995 751670068 /nfs/dbraw/zinc/67/00/68/751670068.db2.gz OHCNNSYVVCEYMB-AWEZNQCLSA-N 1 2 343.366 0.465 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(F)c(OC)c3)C2)nn1 ZINC001105333104 741982811 /nfs/dbraw/zinc/98/28/11/741982811.db2.gz FCKLBCOUJOKIEF-UHFFFAOYSA-N 1 2 343.362 0.846 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(C)[nH]c3=O)C2)nn1 ZINC001105334685 742105943 /nfs/dbraw/zinc/10/59/43/742105943.db2.gz LHHBKSBZVUNZDF-UHFFFAOYSA-N 1 2 326.360 0.107 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnoc3CC)C2)nn1 ZINC001105337056 742421279 /nfs/dbraw/zinc/42/12/79/742421279.db2.gz QQGUYLJKICYOKT-UHFFFAOYSA-N 1 2 328.376 0.639 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000974980289 742430058 /nfs/dbraw/zinc/43/00/58/742430058.db2.gz DFXQBXJKKRCERT-AWEZNQCLSA-N 1 2 330.388 0.379 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000974980289 742430062 /nfs/dbraw/zinc/43/00/62/742430062.db2.gz DFXQBXJKKRCERT-AWEZNQCLSA-N 1 2 330.388 0.379 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC000975356166 742774590 /nfs/dbraw/zinc/77/45/90/742774590.db2.gz VTXMITFFVUBGIG-HOCLYGCPSA-N 1 2 343.431 0.476 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC000975356166 742774591 /nfs/dbraw/zinc/77/45/91/742774591.db2.gz VTXMITFFVUBGIG-HOCLYGCPSA-N 1 2 343.431 0.476 20 30 ECEDLO CCO[C@H](C)c1noc(C[NH2+]CCNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001125994602 743122076 /nfs/dbraw/zinc/12/20/76/743122076.db2.gz GKTLMWKDYLQZLH-SNVBAGLBSA-N 1 2 332.364 0.886 20 30 ECEDLO CC#CCNCc1cn(C2CN(C(=O)CCCn3cc[nH+]c3)C2)nn1 ZINC001105381305 743457135 /nfs/dbraw/zinc/45/71/35/743457135.db2.gz XBLLSNKPKKHPMO-UHFFFAOYSA-N 1 2 341.419 0.451 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@H]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)[nH]1 ZINC000983575485 743482039 /nfs/dbraw/zinc/48/20/39/743482039.db2.gz DTWNONBFCYXVJF-STQMWFEESA-N 1 2 340.387 0.940 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H](C)C2CN(C(=O)Cn3cc[nH+]c3)C2)c1 ZINC001006831956 751885232 /nfs/dbraw/zinc/88/52/32/751885232.db2.gz HETRTYHXCHXDOI-CYBMUJFWSA-N 1 2 337.383 0.536 20 30 ECEDLO C#CC[NH2+][C@H]1CN(C(=O)C2=NC(=O)N(C)C2)CC[C@H]1C(F)(F)F ZINC000998297643 744105678 /nfs/dbraw/zinc/10/56/78/744105678.db2.gz VJHGXVNZHNJSTR-ZJUUUORDSA-N 1 2 330.310 0.742 20 30 ECEDLO C=CCOc1cccnc1C(=O)N1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000998389651 744144131 /nfs/dbraw/zinc/14/41/31/744144131.db2.gz QUBODXVQMNMYSG-UHFFFAOYSA-N 1 2 341.371 0.553 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000976722235 744269671 /nfs/dbraw/zinc/26/96/71/744269671.db2.gz AQSBIWOFSVXWOB-WPTOEGHWSA-N 1 2 327.388 0.178 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001020633098 751919520 /nfs/dbraw/zinc/91/95/20/751919520.db2.gz PRKZZXQSWFNMLG-ATGSNQNLSA-N 1 2 332.404 0.649 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC000976927601 744499585 /nfs/dbraw/zinc/49/95/85/744499585.db2.gz PMLPDRCKVIYFHM-ATCWAGBWSA-N 1 2 338.371 0.347 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000977052480 744619066 /nfs/dbraw/zinc/61/90/66/744619066.db2.gz OHNQWTYXEONNJX-IGOJGBNBSA-N 1 2 348.406 0.749 20 30 ECEDLO C#Cc1cncc(C(=O)NC2CN(C(=O)c3cccc4[nH+]ccn43)C2)c1 ZINC000999319943 744624056 /nfs/dbraw/zinc/62/40/56/744624056.db2.gz OHSMVURWRQAURD-UHFFFAOYSA-N 1 2 345.362 0.965 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)cn1 ZINC000999353406 744646564 /nfs/dbraw/zinc/64/65/64/744646564.db2.gz DVCUOCCCSZHMLF-OAHLLOKOSA-N 1 2 349.394 0.847 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000977217209 744796601 /nfs/dbraw/zinc/79/66/01/744796601.db2.gz LWCMCUCXYQZIRY-NJURLYQPSA-N 1 2 330.388 0.047 20 30 ECEDLO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)C(C)(C)C1 ZINC000977309780 744853037 /nfs/dbraw/zinc/85/30/37/744853037.db2.gz MFVMSRSBRQDOFP-CZUORRHYSA-N 1 2 326.462 0.804 20 30 ECEDLO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)C(C)(C)C1 ZINC000977309780 744853039 /nfs/dbraw/zinc/85/30/39/744853039.db2.gz MFVMSRSBRQDOFP-CZUORRHYSA-N 1 2 326.462 0.804 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)CC1(C)C ZINC000977442741 744994373 /nfs/dbraw/zinc/99/43/73/744994373.db2.gz XMYGCHVJLAKUMU-GXTWGEPZSA-N 1 2 346.431 0.960 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)CC1(C)C ZINC000977442741 744994378 /nfs/dbraw/zinc/99/43/78/744994378.db2.gz XMYGCHVJLAKUMU-GXTWGEPZSA-N 1 2 346.431 0.960 20 30 ECEDLO N#CCSCC(=O)N1CC[C@@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001059198541 745117045 /nfs/dbraw/zinc/11/70/45/745117045.db2.gz VKTJIQBAPOJMEL-CYBMUJFWSA-N 1 2 349.460 0.954 20 30 ECEDLO N#CCSCC(=O)N1CC[C@@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001059198541 745117047 /nfs/dbraw/zinc/11/70/47/745117047.db2.gz VKTJIQBAPOJMEL-CYBMUJFWSA-N 1 2 349.460 0.954 20 30 ECEDLO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001058785329 745157225 /nfs/dbraw/zinc/15/72/25/745157225.db2.gz WWQZDKBHNIIALX-ZDUSSCGKSA-N 1 2 348.447 0.979 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001000018002 745188202 /nfs/dbraw/zinc/18/82/02/745188202.db2.gz WAKFKXSWVUHMET-BHPKHCPMSA-N 1 2 330.388 0.431 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001000018002 745188203 /nfs/dbraw/zinc/18/82/03/745188203.db2.gz WAKFKXSWVUHMET-BHPKHCPMSA-N 1 2 330.388 0.431 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001000021421 745192376 /nfs/dbraw/zinc/19/23/76/745192376.db2.gz BYKYVFLVEBBZTR-MAZHCROVSA-N 1 2 344.415 0.364 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)COc3ccsc3)C2)nn1 ZINC001105360664 751979949 /nfs/dbraw/zinc/97/99/49/751979949.db2.gz FCLGMWBYHJFETQ-UHFFFAOYSA-N 1 2 345.428 0.915 20 30 ECEDLO CN(C[C@@H]1CCN1C(=O)CCc1c[nH]c[nH+]1)C(=O)c1c[nH]c(C#N)c1 ZINC000977579757 745204383 /nfs/dbraw/zinc/20/43/83/745204383.db2.gz GNYZARUYXBBKDE-HNNXBMFYSA-N 1 2 340.387 0.915 20 30 ECEDLO CN(C[C@@H]1CCN1C(=O)CCc1c[nH+]c[nH]1)C(=O)c1c[nH]c(C#N)c1 ZINC000977579757 745204385 /nfs/dbraw/zinc/20/43/85/745204385.db2.gz GNYZARUYXBBKDE-HNNXBMFYSA-N 1 2 340.387 0.915 20 30 ECEDLO C[C@@H](CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21)Nc1ccnc(C#N)n1 ZINC001098267343 745232323 /nfs/dbraw/zinc/23/23/23/745232323.db2.gz BUHVTENRBCHWPK-QWRGUYRKSA-N 1 2 325.376 0.530 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCc3ccccn3)C2)nn1 ZINC001098698102 745251456 /nfs/dbraw/zinc/25/14/56/745251456.db2.gz QBLOGYKOHSWGPL-KRWDZBQOSA-N 1 2 338.415 0.802 20 30 ECEDLO C=CCOc1cccnc1C(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001000197950 745334630 /nfs/dbraw/zinc/33/46/30/745334630.db2.gz LFWRVOPHDBHFCY-UHFFFAOYSA-N 1 2 341.371 0.553 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](CCC)OC)C2)nn1 ZINC001098698683 745356180 /nfs/dbraw/zinc/35/61/80/745356180.db2.gz WZKZUYGQPMFSMZ-JKSUJKDBSA-N 1 2 333.436 0.980 20 30 ECEDLO C=CCn1cc(C(=O)N(C)C[C@H]2CCN2C(=O)Cn2cc[nH+]c2)nn1 ZINC000977730682 745448317 /nfs/dbraw/zinc/44/83/17/745448317.db2.gz IMJWIGSWHKBKQE-CYBMUJFWSA-N 1 2 343.391 0.034 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]c4cccnc34)C2)nn1 ZINC001105360785 752010510 /nfs/dbraw/zinc/01/05/10/752010510.db2.gz IDKGKPQFZJMZSF-UHFFFAOYSA-N 1 2 335.371 0.574 20 30 ECEDLO C=C(Br)C[NH2+][C@H]1CCCN(C(=O)Cc2ncn[nH]2)C1 ZINC001000643382 745658990 /nfs/dbraw/zinc/65/89/90/745658990.db2.gz IGQIBVJWMJMKPC-JTQLQIEISA-N 1 2 328.214 0.836 20 30 ECEDLO Cc1nnc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)[nH]1 ZINC000978063219 745845857 /nfs/dbraw/zinc/84/58/57/745845857.db2.gz NWTMYPZLGIBNSX-ZSOGYDGISA-N 1 2 325.376 0.421 20 30 ECEDLO Cc1nnc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)[nH]1 ZINC000978063219 745845865 /nfs/dbraw/zinc/84/58/65/745845865.db2.gz NWTMYPZLGIBNSX-ZSOGYDGISA-N 1 2 325.376 0.421 20 30 ECEDLO N#Cc1nccc(N[C@H]2C[C@H](NC(=O)[C@H]3CCn4cc[nH+]c4C3)C2)n1 ZINC001059339282 746021525 /nfs/dbraw/zinc/02/15/25/746021525.db2.gz TZICYWGZELYEDP-AVGNSLFASA-N 1 2 337.387 0.288 20 30 ECEDLO N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@H]3CCn4cc[nH+]c4C3)C2)n1 ZINC001059338878 746021666 /nfs/dbraw/zinc/02/16/66/746021666.db2.gz MKXQQLXRUMMYFD-AVGNSLFASA-N 1 2 337.387 0.866 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)[C@@H]1C ZINC001088576018 752068534 /nfs/dbraw/zinc/06/85/34/752068534.db2.gz RROOVVPGIAAIFV-MQYQWHSLSA-N 1 2 349.435 0.169 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)[C@@H]1C ZINC001088576018 752068544 /nfs/dbraw/zinc/06/85/44/752068544.db2.gz RROOVVPGIAAIFV-MQYQWHSLSA-N 1 2 349.435 0.169 20 30 ECEDLO O=C([C@@H]1CNC(=O)N1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029449170 746536915 /nfs/dbraw/zinc/53/69/15/746536915.db2.gz UTCYVLWRUCKSTG-BBWFWOEESA-N 1 2 338.411 0.395 20 30 ECEDLO O=C([C@@H]1CNC(=O)N1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029449170 746536919 /nfs/dbraw/zinc/53/69/19/746536919.db2.gz UTCYVLWRUCKSTG-BBWFWOEESA-N 1 2 338.411 0.395 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000978873167 746807027 /nfs/dbraw/zinc/80/70/27/746807027.db2.gz DTQPZSGFBJDULU-YXPYIKCWSA-N 1 2 346.431 0.944 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3scnc3COC)C2)nn1 ZINC001105340896 746846249 /nfs/dbraw/zinc/84/62/49/746846249.db2.gz VVHZRDZRLUNDDK-UHFFFAOYSA-N 1 2 346.416 0.301 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCCC1 ZINC001029480553 746894762 /nfs/dbraw/zinc/89/47/62/746894762.db2.gz ALGFNLIHZYGAJB-TWMKSMIVSA-N 1 2 347.459 0.875 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CCCC1 ZINC001029480553 746894769 /nfs/dbraw/zinc/89/47/69/746894769.db2.gz ALGFNLIHZYGAJB-TWMKSMIVSA-N 1 2 347.459 0.875 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)NC1CC1 ZINC001029481943 746903657 /nfs/dbraw/zinc/90/36/57/746903657.db2.gz MTBVWWZLSOOETB-CMZRPVNOSA-N 1 2 347.459 0.920 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)NC1CC1 ZINC001029481943 746903660 /nfs/dbraw/zinc/90/36/60/746903660.db2.gz MTBVWWZLSOOETB-CMZRPVNOSA-N 1 2 347.459 0.920 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2CC[NH+](Cc3cnn(C)n3)CC2)nc1 ZINC001002054785 746933412 /nfs/dbraw/zinc/93/34/12/746933412.db2.gz JRWBNXFKLVGPPA-UHFFFAOYSA-N 1 2 338.415 0.833 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2CC[NH+](Cc3nncn3C)CC2)cn1 ZINC001002056505 746934963 /nfs/dbraw/zinc/93/49/63/746934963.db2.gz XGOBRTIKKISIIL-UHFFFAOYSA-N 1 2 338.415 0.833 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cc[nH+]c2)[nH]1 ZINC001002088440 746965359 /nfs/dbraw/zinc/96/53/59/746965359.db2.gz AECWSBCAOVAQDZ-YUELXQCFSA-N 1 2 338.371 0.645 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2snnc2C)C1=O ZINC001027746867 747360088 /nfs/dbraw/zinc/36/00/88/747360088.db2.gz FJTGBAAMOIHZNW-STQMWFEESA-N 1 2 349.460 0.828 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2snnc2C)C1=O ZINC001027746867 747360096 /nfs/dbraw/zinc/36/00/96/747360096.db2.gz FJTGBAAMOIHZNW-STQMWFEESA-N 1 2 349.460 0.828 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCCO3)[C@@H](O)C2)cc1F ZINC001083326369 752200124 /nfs/dbraw/zinc/20/01/24/752200124.db2.gz BAWAVIXHRWDOPW-PMPSAXMXSA-N 1 2 333.363 0.538 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CCCO3)[C@@H](O)C2)cc1F ZINC001083326369 752200125 /nfs/dbraw/zinc/20/01/25/752200125.db2.gz BAWAVIXHRWDOPW-PMPSAXMXSA-N 1 2 333.363 0.538 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC([N@H+](C)Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000985338084 747737514 /nfs/dbraw/zinc/73/75/14/747737514.db2.gz GKIXJIFIBMTUMB-LBPRGKRZSA-N 1 2 342.403 0.605 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC([N@@H+](C)Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000985338084 747737517 /nfs/dbraw/zinc/73/75/17/747737517.db2.gz GKIXJIFIBMTUMB-LBPRGKRZSA-N 1 2 342.403 0.605 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CC3CCCCC3)[C@@H](O)C2)C1=O ZINC001083327259 752223479 /nfs/dbraw/zinc/22/34/79/752223479.db2.gz LASPBSRUZSRWGN-IKGGRYGDSA-N 1 2 349.475 0.905 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CC3CCCCC3)[C@@H](O)C2)C1=O ZINC001083327259 752223485 /nfs/dbraw/zinc/22/34/85/752223485.db2.gz LASPBSRUZSRWGN-IKGGRYGDSA-N 1 2 349.475 0.905 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001007263587 752235961 /nfs/dbraw/zinc/23/59/61/752235961.db2.gz UAZWJQZJAYPDCO-HUUCEWRRSA-N 1 2 328.372 0.747 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001007263587 752235967 /nfs/dbraw/zinc/23/59/67/752235967.db2.gz UAZWJQZJAYPDCO-HUUCEWRRSA-N 1 2 328.372 0.747 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)COCCC)[C@H](OC)C2)C1=O ZINC001211983549 752232918 /nfs/dbraw/zinc/23/29/18/752232918.db2.gz IUZBQEGDHGSRNX-QLFBSQMISA-N 1 2 339.436 0.015 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)COCCC)[C@H](OC)C2)C1=O ZINC001211983549 752232923 /nfs/dbraw/zinc/23/29/23/752232923.db2.gz IUZBQEGDHGSRNX-QLFBSQMISA-N 1 2 339.436 0.015 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H](C[N@H+](C)Cc2nnnn2C(C)(C)C)C1 ZINC001029678845 748043998 /nfs/dbraw/zinc/04/39/98/748043998.db2.gz UAOGICFDYRJTHO-CHWSQXEVSA-N 1 2 333.440 0.868 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H](C[N@@H+](C)Cc2nnnn2C(C)(C)C)C1 ZINC001029678845 748044006 /nfs/dbraw/zinc/04/40/06/748044006.db2.gz UAOGICFDYRJTHO-CHWSQXEVSA-N 1 2 333.440 0.868 20 30 ECEDLO Cn1ncnc1C[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001029708398 748111196 /nfs/dbraw/zinc/11/11/96/748111196.db2.gz QGKCZMJCUXXYFI-GFCCVEGCSA-N 1 2 327.392 0.609 20 30 ECEDLO Cn1ncnc1C[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001029708398 748111201 /nfs/dbraw/zinc/11/12/01/748111201.db2.gz QGKCZMJCUXXYFI-GFCCVEGCSA-N 1 2 327.392 0.609 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[C@@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001059554418 748304613 /nfs/dbraw/zinc/30/46/13/748304613.db2.gz FMTBBCWYWWMAIL-QAPCUYQASA-N 1 2 348.447 0.955 20 30 ECEDLO C=CCOCC(=O)NCC[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001059560000 748416765 /nfs/dbraw/zinc/41/67/65/748416765.db2.gz COFBOQYEJOLZHH-AWEZNQCLSA-N 1 2 334.420 0.900 20 30 ECEDLO C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001059560001 748416863 /nfs/dbraw/zinc/41/68/63/748416863.db2.gz COFBOQYEJOLZHH-CQSZACIVSA-N 1 2 334.420 0.900 20 30 ECEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 ZINC001003430442 748547282 /nfs/dbraw/zinc/54/72/82/748547282.db2.gz WODPTQSHMOATCZ-NWDGAFQWSA-N 1 2 344.253 0.987 20 30 ECEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001003533162 748651941 /nfs/dbraw/zinc/65/19/41/748651941.db2.gz OBSCQWIHAWBEJD-OAHLLOKOSA-N 1 2 345.378 0.459 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC)C[C@H]1OC ZINC001211992445 752300258 /nfs/dbraw/zinc/30/02/58/752300258.db2.gz NMXWEVCAJCBSGP-RRFJBIMHSA-N 1 2 341.452 0.261 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC)C[C@H]1OC ZINC001211992445 752300265 /nfs/dbraw/zinc/30/02/65/752300265.db2.gz NMXWEVCAJCBSGP-RRFJBIMHSA-N 1 2 341.452 0.261 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC([N@@H+](C)Cc3ncnn3C)CC2)c1 ZINC000985638353 748774097 /nfs/dbraw/zinc/77/40/97/748774097.db2.gz SVTAYKQUONAGTI-UHFFFAOYSA-N 1 2 338.415 0.928 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC([N@H+](C)Cc3ncnn3C)CC2)c1 ZINC000985638353 748774101 /nfs/dbraw/zinc/77/41/01/748774101.db2.gz SVTAYKQUONAGTI-UHFFFAOYSA-N 1 2 338.415 0.928 20 30 ECEDLO C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2)C3)cn1 ZINC001003739697 748846468 /nfs/dbraw/zinc/84/64/68/748846468.db2.gz CKIUEXPBAPAUCQ-ZACQAIPSSA-N 1 2 349.394 0.821 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001059647932 749103646 /nfs/dbraw/zinc/10/36/46/749103646.db2.gz JMXSMQMCYHBKME-INIZCTEOSA-N 1 2 346.431 0.668 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CC34CC4)CC2)CC1 ZINC000985826766 749186374 /nfs/dbraw/zinc/18/63/74/749186374.db2.gz FUIXESGZNMBYNW-HNNXBMFYSA-N 1 2 332.448 0.854 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccn(C)c3)CC2)CC1 ZINC000985829810 749196107 /nfs/dbraw/zinc/19/61/07/749196107.db2.gz TWKWJYYAVATQSC-UHFFFAOYSA-N 1 2 345.447 0.707 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC001013933882 761937795 /nfs/dbraw/zinc/93/77/95/761937795.db2.gz NSPPRRCBQLSZEE-IUODEOHRSA-N 1 2 337.383 0.748 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](O)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001105806184 761942692 /nfs/dbraw/zinc/94/26/92/761942692.db2.gz RLZCKSBZIRHGFZ-ACJLOTCBSA-N 1 2 348.447 0.880 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)c2cn[nH]c2)[C@H](OC)C1 ZINC001211908351 749477288 /nfs/dbraw/zinc/47/72/88/749477288.db2.gz CSFJVHOKIXOBLJ-HUUCEWRRSA-N 1 2 347.419 0.039 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)c2cn[nH]c2)[C@H](OC)C1 ZINC001211908351 749477292 /nfs/dbraw/zinc/47/72/92/749477292.db2.gz CSFJVHOKIXOBLJ-HUUCEWRRSA-N 1 2 347.419 0.039 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3snnc3C)[C@H]2C)C1=O ZINC001088464563 749501287 /nfs/dbraw/zinc/50/12/87/749501287.db2.gz DRYRMEIFKIMNLW-AGIUHOORSA-N 1 2 349.460 0.826 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3snnc3C)[C@H]2C)C1=O ZINC001088464563 749501293 /nfs/dbraw/zinc/50/12/93/749501293.db2.gz DRYRMEIFKIMNLW-AGIUHOORSA-N 1 2 349.460 0.826 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]2C1 ZINC000986085779 749503663 /nfs/dbraw/zinc/50/36/63/749503663.db2.gz XFHZNPTXWBCRGH-CVEARBPZSA-N 1 2 326.400 0.603 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001004520491 749591781 /nfs/dbraw/zinc/59/17/81/749591781.db2.gz DDQJLHJZKPCESL-KGLIPLIRSA-N 1 2 332.404 0.508 20 30 ECEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001027936768 749628175 /nfs/dbraw/zinc/62/81/75/749628175.db2.gz MBCNFOBEJRCZGT-ZDUSSCGKSA-N 1 2 344.419 0.490 20 30 ECEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001027936768 749628181 /nfs/dbraw/zinc/62/81/81/749628181.db2.gz MBCNFOBEJRCZGT-ZDUSSCGKSA-N 1 2 344.419 0.490 20 30 ECEDLO Cn1nc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)ccc1=O ZINC001004610937 749683939 /nfs/dbraw/zinc/68/39/39/749683939.db2.gz SZKVKRJALKORHQ-HNNXBMFYSA-N 1 2 329.404 0.620 20 30 ECEDLO Cn1nc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)ccc1=O ZINC001004610937 749683943 /nfs/dbraw/zinc/68/39/43/749683943.db2.gz SZKVKRJALKORHQ-HNNXBMFYSA-N 1 2 329.404 0.620 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3cncnc3C)CC2)C1=O ZINC000980758906 750117303 /nfs/dbraw/zinc/11/73/03/750117303.db2.gz HZFJZHRAMNCDNF-INIZCTEOSA-N 1 2 343.431 0.720 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3cncnc3C)CC2)C1=O ZINC000980758906 750117307 /nfs/dbraw/zinc/11/73/07/750117307.db2.gz HZFJZHRAMNCDNF-INIZCTEOSA-N 1 2 343.431 0.720 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)CCOC)C2)nn1 ZINC001105351728 750465386 /nfs/dbraw/zinc/46/53/86/750465386.db2.gz HIMSKGJINIYQCA-UHFFFAOYSA-N 1 2 333.436 0.837 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCCc3cccnc3)C2)nn1 ZINC001105354123 750479837 /nfs/dbraw/zinc/47/98/37/750479837.db2.gz BKOYIMIDJADICL-UHFFFAOYSA-N 1 2 338.415 0.802 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nnc(CC)o3)[C@@H]2C)nn1 ZINC000987135719 750523716 /nfs/dbraw/zinc/52/37/16/750523716.db2.gz QZOIVRSDLUELSV-RYUDHWBXSA-N 1 2 345.407 0.802 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCC(N(C)C(=O)c3[nH]nnc3C)CC2)C1=O ZINC001005805627 750658431 /nfs/dbraw/zinc/65/84/31/750658431.db2.gz NLMNSLGPPXPUHH-AWEZNQCLSA-N 1 2 346.435 0.436 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)Cc1c[nH+]cn1C ZINC000987635294 751033204 /nfs/dbraw/zinc/03/32/04/751033204.db2.gz YUNOXIBIRLSEPA-RISCZKNCSA-N 1 2 340.387 0.582 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn4c3CCCC4)C2)nn1 ZINC001105358436 751200662 /nfs/dbraw/zinc/20/06/62/751200662.db2.gz ZJXHWOHLUZZNPW-UHFFFAOYSA-N 1 2 339.403 0.231 20 30 ECEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)C(C)C)C[C@H]1OC ZINC001211999266 752346708 /nfs/dbraw/zinc/34/67/08/752346708.db2.gz DINKZGIOIOBSMX-RRFJBIMHSA-N 1 2 325.453 0.929 20 30 ECEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)N[C@@H](C)C(C)C)C[C@H]1OC ZINC001211999266 752346719 /nfs/dbraw/zinc/34/67/19/752346719.db2.gz DINKZGIOIOBSMX-RRFJBIMHSA-N 1 2 325.453 0.929 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2=COCCC2)[C@H](OC)C1 ZINC001212004833 752395901 /nfs/dbraw/zinc/39/59/01/752395901.db2.gz PPJMGBNRAZZXBR-BPLDGKMQSA-N 1 2 337.420 0.187 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2=COCCC2)[C@H](OC)C1 ZINC001212004833 752395908 /nfs/dbraw/zinc/39/59/08/752395908.db2.gz PPJMGBNRAZZXBR-BPLDGKMQSA-N 1 2 337.420 0.187 20 30 ECEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001212023955 752418169 /nfs/dbraw/zinc/41/81/69/752418169.db2.gz FRZLVYGLYCHGGR-RRFJBIMHSA-N 1 2 325.453 0.929 20 30 ECEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001212023955 752418171 /nfs/dbraw/zinc/41/81/71/752418171.db2.gz FRZLVYGLYCHGGR-RRFJBIMHSA-N 1 2 325.453 0.929 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2c(C)nnn2CC)C[C@H]1OC ZINC001212032385 752430484 /nfs/dbraw/zinc/43/04/84/752430484.db2.gz YFEPRDXPEHEVNL-UKRRQHHQSA-N 1 2 337.424 0.124 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2c(C)nnn2CC)C[C@H]1OC ZINC001212032385 752430486 /nfs/dbraw/zinc/43/04/86/752430486.db2.gz YFEPRDXPEHEVNL-UKRRQHHQSA-N 1 2 337.424 0.124 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@H](N(C)c2[nH+]cnc3c2cnn3C)C1 ZINC001098677967 752435715 /nfs/dbraw/zinc/43/57/15/752435715.db2.gz LZSPDOKHVBEZGT-ZDUSSCGKSA-N 1 2 344.419 0.993 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000938028539 752671458 /nfs/dbraw/zinc/67/14/58/752671458.db2.gz QQZVVYJERUAPNJ-DZKIICNBSA-N 1 2 332.404 0.581 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2CC(F)(F)C2)[C@H](OC)C1 ZINC001212095184 752723853 /nfs/dbraw/zinc/72/38/53/752723853.db2.gz UZMWXWJTTPIKHC-RAIGVLPGSA-N 1 2 345.390 0.538 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC(F)(F)C2)[C@H](OC)C1 ZINC001212095184 752723859 /nfs/dbraw/zinc/72/38/59/752723859.db2.gz UZMWXWJTTPIKHC-RAIGVLPGSA-N 1 2 345.390 0.538 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@@H+]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028467580 752760942 /nfs/dbraw/zinc/76/09/42/752760942.db2.gz FOAQDSNVBOLGKP-WDEREUQCSA-N 1 2 328.380 0.223 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@H+]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028467580 752760947 /nfs/dbraw/zinc/76/09/47/752760947.db2.gz FOAQDSNVBOLGKP-WDEREUQCSA-N 1 2 328.380 0.223 20 30 ECEDLO CCCn1nnnc1C[N@@H+]1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028468083 752762477 /nfs/dbraw/zinc/76/24/77/752762477.db2.gz NNWYASVKSUYVTM-LBPRGKRZSA-N 1 2 342.407 0.535 20 30 ECEDLO CCCn1nnnc1C[N@H+]1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028468083 752762483 /nfs/dbraw/zinc/76/24/83/752762483.db2.gz NNWYASVKSUYVTM-LBPRGKRZSA-N 1 2 342.407 0.535 20 30 ECEDLO N#Cc1cncc(N[C@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)n1 ZINC001058993798 752780712 /nfs/dbraw/zinc/78/07/12/752780712.db2.gz MYOJUKUGIWCZRS-STQMWFEESA-N 1 2 337.387 0.820 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)COCC)[C@H](OC)C1 ZINC001211803985 752786521 /nfs/dbraw/zinc/78/65/21/752786521.db2.gz CBBMRUDNJSHXHH-HUUCEWRRSA-N 1 2 339.436 0.039 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)COCC)[C@H](OC)C1 ZINC001211803985 752786526 /nfs/dbraw/zinc/78/65/26/752786526.db2.gz CBBMRUDNJSHXHH-HUUCEWRRSA-N 1 2 339.436 0.039 20 30 ECEDLO N#Cc1nccc(N[C@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)n1 ZINC001058995326 752806185 /nfs/dbraw/zinc/80/61/85/752806185.db2.gz APPNAGWSPZQUIV-OLZOCXBDSA-N 1 2 337.387 0.242 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccns3)C2)nn1 ZINC001098679292 752913910 /nfs/dbraw/zinc/91/39/10/752913910.db2.gz XPUKAUAOYUVUDE-CYBMUJFWSA-N 1 2 330.417 0.935 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3n[nH]c4ccccc43)C2)nn1 ZINC001105369455 752988122 /nfs/dbraw/zinc/98/81/22/752988122.db2.gz CRADMFXXPSAKFR-UHFFFAOYSA-N 1 2 349.398 0.964 20 30 ECEDLO CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001008078337 753283053 /nfs/dbraw/zinc/28/30/53/753283053.db2.gz WLPYDZRZIOEMIP-CYBMUJFWSA-N 1 2 340.387 0.819 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000982739930 753450254 /nfs/dbraw/zinc/45/02/54/753450254.db2.gz RGJGXVUBVUKFEI-JKSUJKDBSA-N 1 2 340.427 0.824 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc[nH]n2)CC1(C)C ZINC001008274275 753536992 /nfs/dbraw/zinc/53/69/92/753536992.db2.gz BIUJUBUMHAMOMU-LSDHHAIUSA-N 1 2 343.431 0.474 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc[nH]n2)CC1(C)C ZINC001008274275 753536999 /nfs/dbraw/zinc/53/69/99/753536999.db2.gz BIUJUBUMHAMOMU-LSDHHAIUSA-N 1 2 343.431 0.474 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn[nH]2)CC1(C)C ZINC001008274275 753537002 /nfs/dbraw/zinc/53/70/02/753537002.db2.gz BIUJUBUMHAMOMU-LSDHHAIUSA-N 1 2 343.431 0.474 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn[nH]2)CC1(C)C ZINC001008274275 753537008 /nfs/dbraw/zinc/53/70/08/753537008.db2.gz BIUJUBUMHAMOMU-LSDHHAIUSA-N 1 2 343.431 0.474 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H](C)Nc2nc(N(C)C)nc(C)[nH+]2)c1 ZINC001098259132 753546785 /nfs/dbraw/zinc/54/67/85/753546785.db2.gz PDSPWYQRGZWODM-LLVKDONJSA-N 1 2 339.403 0.853 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3CC(C)C3)C2)nn1 ZINC001098649157 753646743 /nfs/dbraw/zinc/64/67/43/753646743.db2.gz LTOCFEOAAAEDAV-VMBOVVBDSA-N 1 2 345.447 0.837 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CCCOC3)[C@@H](O)C2)cc1F ZINC001083367917 753698784 /nfs/dbraw/zinc/69/87/84/753698784.db2.gz WZKLOCBUSULULY-UAGQMJEPSA-N 1 2 347.390 0.785 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CCCOC3)[C@@H](O)C2)cc1F ZINC001083367917 753698787 /nfs/dbraw/zinc/69/87/87/753698787.db2.gz WZKLOCBUSULULY-UAGQMJEPSA-N 1 2 347.390 0.785 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3OCC[C@H]3CC)C2)nn1 ZINC001098683376 753700005 /nfs/dbraw/zinc/70/00/05/753700005.db2.gz ZBSTUDGOEACHPL-KBMXLJTQSA-N 1 2 331.420 0.589 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCN(C)c1cncc(C#N)n1 ZINC001105576846 753851918 /nfs/dbraw/zinc/85/19/18/753851918.db2.gz FGXSDMFPFXIDMY-LBPRGKRZSA-N 1 2 327.392 0.845 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCN(C)c1cncc(C#N)n1 ZINC001105576846 753851924 /nfs/dbraw/zinc/85/19/24/753851924.db2.gz FGXSDMFPFXIDMY-LBPRGKRZSA-N 1 2 327.392 0.845 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC1 ZINC000989412913 753868749 /nfs/dbraw/zinc/86/87/49/753868749.db2.gz ZQVGVCYDSDTHBQ-UHFFFAOYSA-N 1 2 342.827 0.604 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC1 ZINC000989412913 753868753 /nfs/dbraw/zinc/86/87/53/753868753.db2.gz ZQVGVCYDSDTHBQ-UHFFFAOYSA-N 1 2 342.827 0.604 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3nocc3C)CC2)C1=O ZINC000989424929 753889068 /nfs/dbraw/zinc/88/90/68/753889068.db2.gz PHSANEMYJWKWMD-AWEZNQCLSA-N 1 2 332.404 0.918 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3nocc3C)CC2)C1=O ZINC000989424929 753889072 /nfs/dbraw/zinc/88/90/72/753889072.db2.gz PHSANEMYJWKWMD-AWEZNQCLSA-N 1 2 332.404 0.918 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3nocc3C)CC2)C1=O ZINC000989424932 753889235 /nfs/dbraw/zinc/88/92/35/753889235.db2.gz PHSANEMYJWKWMD-CQSZACIVSA-N 1 2 332.404 0.918 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3nocc3C)CC2)C1=O ZINC000989424932 753889238 /nfs/dbraw/zinc/88/92/38/753889238.db2.gz PHSANEMYJWKWMD-CQSZACIVSA-N 1 2 332.404 0.918 20 30 ECEDLO COCCN(CCNC(=O)Cc1[nH]cc[nH+]1)c1ncccc1C#N ZINC001126395066 753950668 /nfs/dbraw/zinc/95/06/68/753950668.db2.gz IHJGIEULASIVDW-UHFFFAOYSA-N 1 2 328.376 0.488 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3csc(CC)n3)C2)nn1 ZINC001105376870 754060038 /nfs/dbraw/zinc/06/00/38/754060038.db2.gz HVTGAVMXSQFGAD-UHFFFAOYSA-N 1 2 344.444 0.646 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3csnn3)C[C@@H]2C)nn1 ZINC000989538022 754097277 /nfs/dbraw/zinc/09/72/77/754097277.db2.gz ZKWRXKAFJQNCQC-QWRGUYRKSA-N 1 2 333.421 0.708 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)nn1 ZINC001008794080 754125282 /nfs/dbraw/zinc/12/52/82/754125282.db2.gz KUICVGKKRWFKKC-AWEZNQCLSA-N 1 2 346.435 0.281 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)nn1 ZINC001008794080 754125289 /nfs/dbraw/zinc/12/52/89/754125289.db2.gz KUICVGKKRWFKKC-AWEZNQCLSA-N 1 2 346.435 0.281 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N(C)C3CC3)C2)nn1 ZINC001008796435 754128486 /nfs/dbraw/zinc/12/84/86/754128486.db2.gz WOYBYADOJIYVPD-CYBMUJFWSA-N 1 2 346.435 0.279 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N(C)C3CC3)C2)nn1 ZINC001008796435 754128488 /nfs/dbraw/zinc/12/84/88/754128488.db2.gz WOYBYADOJIYVPD-CYBMUJFWSA-N 1 2 346.435 0.279 20 30 ECEDLO CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)o1 ZINC001051523420 762273329 /nfs/dbraw/zinc/27/33/29/762273329.db2.gz CYGUWGYPCPYSKT-GFCCVEGCSA-N 1 2 344.375 0.463 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC1 ZINC000989607320 754188935 /nfs/dbraw/zinc/18/89/35/754188935.db2.gz LZZKSKWDGCIOQT-UHFFFAOYSA-N 1 2 342.827 0.604 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC1 ZINC000989607320 754188939 /nfs/dbraw/zinc/18/89/39/754188939.db2.gz LZZKSKWDGCIOQT-UHFFFAOYSA-N 1 2 342.827 0.604 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001009263427 754720065 /nfs/dbraw/zinc/72/00/65/754720065.db2.gz VWKWZDRPGMVQND-CHWSQXEVSA-N 1 2 330.388 0.162 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001009263427 754720069 /nfs/dbraw/zinc/72/00/69/754720069.db2.gz VWKWZDRPGMVQND-CHWSQXEVSA-N 1 2 330.388 0.162 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)nc1 ZINC001009267003 754723929 /nfs/dbraw/zinc/72/39/29/754723929.db2.gz BUOKGVCHZKQIHX-ZFWWWQNUSA-N 1 2 340.383 0.062 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCC(=O)NC3=O)C2)nc1 ZINC001009267003 754723932 /nfs/dbraw/zinc/72/39/32/754723932.db2.gz BUOKGVCHZKQIHX-ZFWWWQNUSA-N 1 2 340.383 0.062 20 30 ECEDLO Cn1ncc(C[N@@H+]2CC[C@]3(NC(=O)c4cc(C#N)c[nH]4)CCC[C@@H]23)n1 ZINC000990158874 754784898 /nfs/dbraw/zinc/78/48/98/754784898.db2.gz AVUFZGPTWDWSDN-NVXWUHKLSA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1ncc(C[N@H+]2CC[C@]3(NC(=O)c4cc(C#N)c[nH]4)CCC[C@@H]23)n1 ZINC000990158874 754784901 /nfs/dbraw/zinc/78/49/01/754784901.db2.gz AVUFZGPTWDWSDN-NVXWUHKLSA-N 1 2 339.403 0.942 20 30 ECEDLO N#Cc1cc(C(=O)N2CCO[C@@H](C[NH2+]Cc3csnn3)C2)c[nH]1 ZINC001051561981 762343320 /nfs/dbraw/zinc/34/33/20/762343320.db2.gz DNAQNOFJLXKOFN-ZDUSSCGKSA-N 1 2 332.389 0.369 20 30 ECEDLO CCc1nnc(C[NH2+]C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)o1 ZINC001051564065 762347784 /nfs/dbraw/zinc/34/77/84/762347784.db2.gz XBVMRNFSWFIYNR-ZDUSSCGKSA-N 1 2 344.375 0.463 20 30 ECEDLO N#Cc1cc(C(=O)N2CCO[C@H](C[NH2+]Cc3cnsn3)C2)c[nH]1 ZINC001051564160 762349111 /nfs/dbraw/zinc/34/91/11/762349111.db2.gz YBGJLVOGKIWHFU-CYBMUJFWSA-N 1 2 332.389 0.369 20 30 ECEDLO CCn1nncc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC001075700249 755067901 /nfs/dbraw/zinc/06/79/01/755067901.db2.gz IGHJARDVAUEYMY-BLLLJJGKSA-N 1 2 339.403 0.844 20 30 ECEDLO CCn1nncc1C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC001075700249 755067903 /nfs/dbraw/zinc/06/79/03/755067903.db2.gz IGHJARDVAUEYMY-BLLLJJGKSA-N 1 2 339.403 0.844 20 30 ECEDLO C#CC[C@@H](CO)NC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000923916966 755200324 /nfs/dbraw/zinc/20/03/24/755200324.db2.gz FLOMFBLIYKPPAI-ZWKOTPCHSA-N 1 2 345.443 0.879 20 30 ECEDLO C#CC[C@@H](CO)NC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000923916966 755200331 /nfs/dbraw/zinc/20/03/31/755200331.db2.gz FLOMFBLIYKPPAI-ZWKOTPCHSA-N 1 2 345.443 0.879 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3nncn3C)C2)nn1 ZINC001028854217 755314591 /nfs/dbraw/zinc/31/45/91/755314591.db2.gz DXCWZJDJBDDBLA-CYBMUJFWSA-N 1 2 344.423 0.235 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3nncn3C)C2)nn1 ZINC001028854217 755314594 /nfs/dbraw/zinc/31/45/94/755314594.db2.gz DXCWZJDJBDDBLA-CYBMUJFWSA-N 1 2 344.423 0.235 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2conc2CC)C[C@@H]1O ZINC001083470765 755318080 /nfs/dbraw/zinc/31/80/80/755318080.db2.gz MMQATRZMSRBYJW-SIXLDLHFSA-N 1 2 349.431 0.880 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2conc2CC)C[C@@H]1O ZINC001083470765 755318087 /nfs/dbraw/zinc/31/80/87/755318087.db2.gz MMQATRZMSRBYJW-SIXLDLHFSA-N 1 2 349.431 0.880 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H](C)C3CC3)C2)nn1 ZINC001105379407 755324642 /nfs/dbraw/zinc/32/46/42/755324642.db2.gz VDRBZJXOZSVHJA-CQSZACIVSA-N 1 2 345.447 0.837 20 30 ECEDLO N#Cc1sc(NC[C@H](O)CNC(=O)Cn2cc[nH+]c2)nc1Cl ZINC001105882570 762389292 /nfs/dbraw/zinc/38/92/92/762389292.db2.gz IHZLQDOAXPRCNI-MRVPVSSYSA-N 1 2 340.796 0.454 20 30 ECEDLO Cc1cc(NC[C@H](O)CNC(=O)CCCn2cc[nH+]c2)c(C#N)cn1 ZINC001105884763 762397066 /nfs/dbraw/zinc/39/70/66/762397066.db2.gz PRYHJASNNHYAKF-HNNXBMFYSA-N 1 2 342.403 0.250 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088800637 755735783 /nfs/dbraw/zinc/73/57/83/755735783.db2.gz LOSFNLBKKUUVCY-YGRLFVJLSA-N 1 2 343.366 0.614 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088800637 755735784 /nfs/dbraw/zinc/73/57/84/755735784.db2.gz LOSFNLBKKUUVCY-YGRLFVJLSA-N 1 2 343.366 0.614 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cncnc3)C2)nn1 ZINC001098659423 755819766 /nfs/dbraw/zinc/81/97/66/755819766.db2.gz OWYFFGFVZJANHY-OAHLLOKOSA-N 1 2 325.376 0.268 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ccnn3CC)C2)nn1 ZINC001098659512 755830793 /nfs/dbraw/zinc/83/07/93/755830793.db2.gz RBQZLMPQVVHSRN-HNNXBMFYSA-N 1 2 341.419 0.695 20 30 ECEDLO C[C@@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001060095027 756037765 /nfs/dbraw/zinc/03/77/65/756037765.db2.gz SCFGRYJFJBMKPN-UONOGXRCSA-N 1 2 331.420 0.867 20 30 ECEDLO C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)CCn1cc[nH+]c1 ZINC001076076391 756062101 /nfs/dbraw/zinc/06/21/01/756062101.db2.gz NOFAIRWMVOEXLH-LBPRGKRZSA-N 1 2 328.376 0.798 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCCC(=O)NC)C2)nn1 ZINC001098661677 756077880 /nfs/dbraw/zinc/07/78/80/756077880.db2.gz QCVDAJZUODZPMY-HNNXBMFYSA-N 1 2 346.435 0.081 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3oc(C)nc3C)C2)C1=O ZINC001010434181 756133789 /nfs/dbraw/zinc/13/37/89/756133789.db2.gz YNIYDHXUEYRJKY-ZIAGYGMSSA-N 1 2 332.404 0.882 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3oc(C)nc3C)C2)C1=O ZINC001010434181 756133791 /nfs/dbraw/zinc/13/37/91/756133791.db2.gz YNIYDHXUEYRJKY-ZIAGYGMSSA-N 1 2 332.404 0.882 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+](CCS(C)(=O)=O)C[C@H]32)c1 ZINC001076223251 756234835 /nfs/dbraw/zinc/23/48/35/756234835.db2.gz PYKLNLOIGBLAQY-GOEBONIOSA-N 1 2 347.440 0.254 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@H+](CCS(C)(=O)=O)C[C@H]32)c1 ZINC001076223251 756234839 /nfs/dbraw/zinc/23/48/39/756234839.db2.gz PYKLNLOIGBLAQY-GOEBONIOSA-N 1 2 347.440 0.254 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@H]21 ZINC001076262567 756299776 /nfs/dbraw/zinc/29/97/76/756299776.db2.gz KIZUFDLNNGNWKV-YJNKXOJESA-N 1 2 342.461 0.155 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@H]21 ZINC001076262567 756299780 /nfs/dbraw/zinc/29/97/80/756299780.db2.gz KIZUFDLNNGNWKV-YJNKXOJESA-N 1 2 342.461 0.155 20 30 ECEDLO COc1nccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001010635322 756331978 /nfs/dbraw/zinc/33/19/78/756331978.db2.gz FTNYNLXNUDYFCW-ZDUSSCGKSA-N 1 2 326.360 0.689 20 30 ECEDLO COc1nccc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001010635322 756331983 /nfs/dbraw/zinc/33/19/83/756331983.db2.gz FTNYNLXNUDYFCW-ZDUSSCGKSA-N 1 2 326.360 0.689 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3coc(CC)n3)C2)C1=O ZINC001010700521 756417033 /nfs/dbraw/zinc/41/70/33/756417033.db2.gz NXPVYQFNMHDETJ-OCCSQVGLSA-N 1 2 332.404 0.828 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3coc(CC)n3)C2)C1=O ZINC001010700521 756417036 /nfs/dbraw/zinc/41/70/36/756417036.db2.gz NXPVYQFNMHDETJ-OCCSQVGLSA-N 1 2 332.404 0.828 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N2CC(NC(=O)c3ccc(C#N)[nH]3)C2)c[nH+]1 ZINC000990869451 756447533 /nfs/dbraw/zinc/44/75/33/756447533.db2.gz YITIIGMEEOSNPN-UHFFFAOYSA-N 1 2 340.387 0.767 20 30 ECEDLO CC(C)c1nnc(C[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCO2)o1 ZINC001051612682 762468779 /nfs/dbraw/zinc/46/87/79/762468779.db2.gz SOFDVOOTCAVAJD-AWEZNQCLSA-N 1 2 332.404 0.923 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC2(C1)CCCN(C(=O)C#CC1CC1)C2 ZINC001010739146 756466363 /nfs/dbraw/zinc/46/63/63/756466363.db2.gz DTXJWUAZFSBJKR-UHFFFAOYSA-N 1 2 340.427 0.827 20 30 ECEDLO C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001076506584 756576821 /nfs/dbraw/zinc/57/68/21/756576821.db2.gz ZFUUJGBTECWUPP-LSDHHAIUSA-N 1 2 346.431 0.496 20 30 ECEDLO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC001010870559 756620606 /nfs/dbraw/zinc/62/06/06/756620606.db2.gz QCKKMFVDKUMGGR-OAHLLOKOSA-N 1 2 327.363 0.810 20 30 ECEDLO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC001010870559 756620608 /nfs/dbraw/zinc/62/06/08/756620608.db2.gz QCKKMFVDKUMGGR-OAHLLOKOSA-N 1 2 327.363 0.810 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)C1=COCCO1 ZINC001076700730 756877115 /nfs/dbraw/zinc/87/71/15/756877115.db2.gz RZUXIVCURHSNGX-HZPDHXFCSA-N 1 2 328.368 0.088 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)C1=COCCO1 ZINC001076700730 756877120 /nfs/dbraw/zinc/87/71/20/756877120.db2.gz RZUXIVCURHSNGX-HZPDHXFCSA-N 1 2 328.368 0.088 20 30 ECEDLO CC(C)(C(=O)N1CCN(C(=O)C#CC2CC2)CC1)[NH+]1CCOCC1 ZINC001011107943 756938222 /nfs/dbraw/zinc/93/82/22/756938222.db2.gz CHOFTHXKPXZOGC-UHFFFAOYSA-N 1 2 333.432 0.181 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)CCOCC)nn2)C1 ZINC001107144458 757026569 /nfs/dbraw/zinc/02/65/69/757026569.db2.gz PSEYLTIMFRBMTO-UHFFFAOYSA-N 1 2 337.424 0.380 20 30 ECEDLO C#CCCCC(=O)N[C@@H](C)CCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001076771801 757046454 /nfs/dbraw/zinc/04/64/54/757046454.db2.gz ZYUQVFDDHUHWPC-MAUKXSAKSA-N 1 2 349.475 0.912 20 30 ECEDLO C[C@@H](C#N)C(=O)NCc1cn(C2C[NH+](CCOCC3CC3)C2)nn1 ZINC001107149871 757054407 /nfs/dbraw/zinc/05/44/07/757054407.db2.gz UBDBDIJXSIJLRU-LBPRGKRZSA-N 1 2 332.408 0.337 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)Cc3cccnc3)nn2)C1 ZINC001107159943 757134381 /nfs/dbraw/zinc/13/43/81/757134381.db2.gz ZFLUKBPGWMOCPE-UHFFFAOYSA-N 1 2 326.404 0.965 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCOC3)C2)s1 ZINC001076794152 757193626 /nfs/dbraw/zinc/19/36/26/757193626.db2.gz UARFWVLTWWOOES-NILFDRSVSA-N 1 2 335.429 0.708 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCOC3)C2)s1 ZINC001076794152 757193634 /nfs/dbraw/zinc/19/36/34/757193634.db2.gz UARFWVLTWWOOES-NILFDRSVSA-N 1 2 335.429 0.708 20 30 ECEDLO Cc1cc(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)no1 ZINC001076816535 757238735 /nfs/dbraw/zinc/23/87/35/757238735.db2.gz NSVDKPSFIALHQL-HUUCEWRRSA-N 1 2 346.412 0.820 20 30 ECEDLO Cc1cc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)no1 ZINC001076816535 757238744 /nfs/dbraw/zinc/23/87/44/757238744.db2.gz NSVDKPSFIALHQL-HUUCEWRRSA-N 1 2 346.412 0.820 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@H]3CO[C@@H](C)C3)nn2)C1 ZINC001107182579 757317379 /nfs/dbraw/zinc/31/73/79/757317379.db2.gz XINBMESIUMOSBR-UONOGXRCSA-N 1 2 349.435 0.379 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C[C@H]3CCOC[C@@H]3OC)nn2)C1 ZINC001107178104 757331000 /nfs/dbraw/zinc/33/10/00/757331000.db2.gz HMOQTDGLNYLXNU-CJNGLKHVSA-N 1 2 349.435 0.379 20 30 ECEDLO C=CC(C)(C)CC(=O)N(C)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001048912651 757380145 /nfs/dbraw/zinc/38/01/45/757380145.db2.gz KGCAHVAAMMRWMH-KBPBESRZSA-N 1 2 334.420 0.585 20 30 ECEDLO COc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)ccn1 ZINC001076855745 757398689 /nfs/dbraw/zinc/39/86/89/757398689.db2.gz KZTNAIMDGZTIIG-HUUCEWRRSA-N 1 2 341.371 0.265 20 30 ECEDLO COc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)ccn1 ZINC001076855745 757398700 /nfs/dbraw/zinc/39/87/00/757398700.db2.gz KZTNAIMDGZTIIG-HUUCEWRRSA-N 1 2 341.371 0.265 20 30 ECEDLO Cc1cc(CC(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)[nH]n1 ZINC001076870423 757424012 /nfs/dbraw/zinc/42/40/12/757424012.db2.gz YHQYLINAJYBQQR-QZTJIDSGSA-N 1 2 338.411 0.474 20 30 ECEDLO Cc1cc(CC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)[nH]n1 ZINC001076870423 757424015 /nfs/dbraw/zinc/42/40/15/757424015.db2.gz YHQYLINAJYBQQR-QZTJIDSGSA-N 1 2 338.411 0.474 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3csnn3)nn2)C1 ZINC001107189613 757425726 /nfs/dbraw/zinc/42/57/26/757425726.db2.gz DKCQLTMCGBRBRB-UHFFFAOYSA-N 1 2 349.420 0.119 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](OC)c3cnn(C)c3)nn2)C1 ZINC001107190366 757437038 /nfs/dbraw/zinc/43/70/38/757437038.db2.gz SYWMWLPOKZTTNL-HNNXBMFYSA-N 1 2 345.407 0.058 20 30 ECEDLO CC#CCN1CC(n2cc(CNC(=O)CCn3cc[nH+]c3)nn2)C1 ZINC001107191599 757446631 /nfs/dbraw/zinc/44/66/31/757446631.db2.gz ZUUVUKBKMIDWLM-UHFFFAOYSA-N 1 2 327.392 0.061 20 30 ECEDLO C[C@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)n1cncn1 ZINC001076904490 757552839 /nfs/dbraw/zinc/55/28/39/757552839.db2.gz HSDGZWVLRSJXLR-DJIMGWMZSA-N 1 2 339.399 0.052 20 30 ECEDLO C[C@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)n1cncn1 ZINC001076904490 757552844 /nfs/dbraw/zinc/55/28/44/757552844.db2.gz HSDGZWVLRSJXLR-DJIMGWMZSA-N 1 2 339.399 0.052 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[C@H]4C[C@H]4C3)nn2)C1 ZINC001107197011 757555364 /nfs/dbraw/zinc/55/53/64/757555364.db2.gz XEXBNBKXKFRKCK-FICVDOATSA-N 1 2 345.447 1.000 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@H]2O)c[nH]1 ZINC001076907636 757564967 /nfs/dbraw/zinc/56/49/67/757564967.db2.gz WIVTYYXSXCIQQT-ZIAGYGMSSA-N 1 2 348.794 0.211 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](CCn3cc(Cl)cn3)C[C@H]2O)c[nH]1 ZINC001076907636 757564979 /nfs/dbraw/zinc/56/49/79/757564979.db2.gz WIVTYYXSXCIQQT-ZIAGYGMSSA-N 1 2 348.794 0.211 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](CC(C)C)OC)nn2)C1 ZINC001107209021 757683601 /nfs/dbraw/zinc/68/36/01/757683601.db2.gz CMFGOWFHZHKADP-MRXNPFEDSA-N 1 2 333.436 0.835 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)Cc3cn(C)nc3Cl)nn2)C1 ZINC001107209734 757688094 /nfs/dbraw/zinc/68/80/94/757688094.db2.gz YEGTXUBRUDKWPC-UHFFFAOYSA-N 1 2 349.826 0.567 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC000996448831 757702733 /nfs/dbraw/zinc/70/27/33/757702733.db2.gz ARZCFSULKSTDBL-CABCVRRESA-N 1 2 332.404 0.271 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC3(F)F)C2)s1 ZINC001076968896 757775212 /nfs/dbraw/zinc/77/52/12/757775212.db2.gz AOXNGIHUZHAHAO-IJLUTSLNSA-N 1 2 327.356 0.936 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC3(F)F)C2)s1 ZINC001076968896 757775222 /nfs/dbraw/zinc/77/52/22/757775222.db2.gz AOXNGIHUZHAHAO-IJLUTSLNSA-N 1 2 327.356 0.936 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)Cn3nccc3C)nn2)C1 ZINC001107215042 757790862 /nfs/dbraw/zinc/79/08/62/757790862.db2.gz ALDRLJHPRWFBSN-UHFFFAOYSA-N 1 2 329.408 0.532 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3nc(C)c[nH]3)nn2)C1 ZINC001107217279 757821080 /nfs/dbraw/zinc/82/10/80/757821080.db2.gz DZTYCKMZCGIDTC-UHFFFAOYSA-N 1 2 345.407 0.299 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnn(CC)n3)C[C@@H]2C1 ZINC001049069849 757874641 /nfs/dbraw/zinc/87/46/41/757874641.db2.gz STHRAYVBCLCCGK-WTTBNOFXSA-N 1 2 345.447 0.779 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnn(CC)n3)C[C@@H]2C1 ZINC001049069849 757874655 /nfs/dbraw/zinc/87/46/55/757874655.db2.gz STHRAYVBCLCCGK-WTTBNOFXSA-N 1 2 345.447 0.779 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@]3(C)CCN(C(C)=O)C3)nn2)C1 ZINC001107227098 757885810 /nfs/dbraw/zinc/88/58/10/757885810.db2.gz CWLYGRGCAGSSIG-QGZVFWFLSA-N 1 2 346.435 0.196 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)Cc3cnn(C)c3)nn2)C1 ZINC001107225216 757938819 /nfs/dbraw/zinc/93/88/19/757938819.db2.gz QQKKIPQHECJBCN-ZDUSSCGKSA-N 1 2 343.435 0.549 20 30 ECEDLO C=C(Cl)CN1CC(n2cc(CNC(=O)Cc3c[nH+]cn3C)nn2)C1 ZINC001107230055 757994692 /nfs/dbraw/zinc/99/46/92/757994692.db2.gz YIVQYLWXFMJZKQ-UHFFFAOYSA-N 1 2 349.826 0.480 20 30 ECEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)Cn3cccn3)CC2)C1 ZINC001105686105 757995134 /nfs/dbraw/zinc/99/51/34/757995134.db2.gz OJPMUMPNAMXJRJ-UHFFFAOYSA-N 1 2 348.447 0.778 20 30 ECEDLO C=CCCOCC(=O)NCc1cn(C2C[NH+](CCOCC)C2)nn1 ZINC001107241499 757996635 /nfs/dbraw/zinc/99/66/35/757996635.db2.gz WYQKDJONVAKOTI-UHFFFAOYSA-N 1 2 337.424 0.380 20 30 ECEDLO C#CCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001049126055 758048069 /nfs/dbraw/zinc/04/80/69/758048069.db2.gz PQNWWUOVOXAUCF-HOTGVXAUSA-N 1 2 346.431 0.497 20 30 ECEDLO C#CCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001049153116 758145597 /nfs/dbraw/zinc/14/55/97/758145597.db2.gz RRDKBPKROOMQLY-HOTGVXAUSA-N 1 2 346.431 0.484 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001011621593 758152241 /nfs/dbraw/zinc/15/22/41/758152241.db2.gz DSYFMVKRXPAPJX-FZMZJTMJSA-N 1 2 340.387 0.582 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H]1C ZINC001011624964 758160511 /nfs/dbraw/zinc/16/05/11/758160511.db2.gz WVIMTISTZGNYEN-AAEUAGOBSA-N 1 2 340.387 0.880 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)NC/C=C/CNc1cncc(C#N)n1 ZINC001107297897 758196891 /nfs/dbraw/zinc/19/68/91/758196891.db2.gz PVDHUOMVIIYNFJ-NSCUHMNNSA-N 1 2 325.376 0.799 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)Cc1c[nH+]ccc1OC ZINC001077146144 758320661 /nfs/dbraw/zinc/32/06/61/758320661.db2.gz GRCAKYROMIIANB-KBPBESRZSA-N 1 2 347.415 0.682 20 30 ECEDLO N#Cc1nccnc1NC/C=C/CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001107390286 758417400 /nfs/dbraw/zinc/41/74/00/758417400.db2.gz UEDYUTBTFBNKAS-AORQRIRUSA-N 1 2 337.387 0.892 20 30 ECEDLO CC(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nnnn1C)CC2 ZINC001107394272 758451925 /nfs/dbraw/zinc/45/19/25/758451925.db2.gz WDRDHOCFEZWYJN-RHSMWYFYSA-N 1 2 330.436 0.730 20 30 ECEDLO CC(C)C#CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nnnn1C)CC2 ZINC001107394272 758451929 /nfs/dbraw/zinc/45/19/29/758451929.db2.gz WDRDHOCFEZWYJN-RHSMWYFYSA-N 1 2 330.436 0.730 20 30 ECEDLO N#Cc1cnc(NC/C=C\CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cn1 ZINC001107395405 758453568 /nfs/dbraw/zinc/45/35/68/758453568.db2.gz YWGHQWKEMAQBKS-UIIMQBOASA-N 1 2 337.387 0.892 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1O ZINC001049268586 758460919 /nfs/dbraw/zinc/46/09/19/758460919.db2.gz QEDOHHOKJLUAQH-KBMXLJTQSA-N 1 2 348.447 0.595 20 30 ECEDLO C=CCn1cc(C(=O)NC2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)nn1 ZINC000991675864 762653724 /nfs/dbraw/zinc/65/37/24/762653724.db2.gz HUYVXUYXJVZXPB-NSHDSACASA-N 1 2 343.391 0.007 20 30 ECEDLO C=CCn1cc(C(=O)NC2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)nn1 ZINC000991675864 762653727 /nfs/dbraw/zinc/65/37/27/762653727.db2.gz HUYVXUYXJVZXPB-NSHDSACASA-N 1 2 343.391 0.007 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001011844170 758741110 /nfs/dbraw/zinc/74/11/10/758741110.db2.gz MPZVVUCMXLZBNK-UHFFFAOYSA-N 1 2 336.395 0.847 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC3(O)CCC3)C2)nn1 ZINC001098669400 758990197 /nfs/dbraw/zinc/99/01/97/758990197.db2.gz PRJWJIPCKGKQQB-HNNXBMFYSA-N 1 2 331.420 0.470 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)c3noc(C)n3)C2)nn1 ZINC001022824967 759147387 /nfs/dbraw/zinc/14/73/87/759147387.db2.gz RAEYEXUZQKVWAW-JLLWLGSASA-N 1 2 331.380 0.767 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CCS(=O)(=O)CC1 ZINC001049770470 759185380 /nfs/dbraw/zinc/18/53/80/759185380.db2.gz VEJYAXURNXOOEN-JKSUJKDBSA-N 1 2 338.473 0.900 20 30 ECEDLO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CCS(=O)(=O)CC1 ZINC001049770470 759185386 /nfs/dbraw/zinc/18/53/86/759185386.db2.gz VEJYAXURNXOOEN-JKSUJKDBSA-N 1 2 338.473 0.900 20 30 ECEDLO N#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+]1CCOCC1)C2 ZINC001054245012 767861552 /nfs/dbraw/zinc/86/15/52/767861552.db2.gz MURRUGQSCCJTQB-IEBWSBKVSA-N 1 2 346.475 0.935 20 30 ECEDLO NC(=O)c1cncc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)c1 ZINC001032193514 759478217 /nfs/dbraw/zinc/47/82/17/759478217.db2.gz BFBDFFOKGGGPRF-UHFFFAOYSA-N 1 2 348.406 0.894 20 30 ECEDLO Cc1ccc(C#N)c(N(C)C[C@@H](O)CN(C)C(=O)Cc2[nH]cc[nH+]2)n1 ZINC001125149604 759832112 /nfs/dbraw/zinc/83/21/12/759832112.db2.gz YHJYGKJPHOHPBW-AWEZNQCLSA-N 1 2 342.403 0.483 20 30 ECEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cn(C)c(=O)[nH]c3=O)cc2C1 ZINC001054291518 767898413 /nfs/dbraw/zinc/89/84/13/767898413.db2.gz SWRJNDWAZVVNSM-UHFFFAOYSA-N 1 2 338.367 0.365 20 30 ECEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cn(C)c(=O)[nH]c3=O)cc2C1 ZINC001054291518 767898420 /nfs/dbraw/zinc/89/84/20/767898420.db2.gz SWRJNDWAZVVNSM-UHFFFAOYSA-N 1 2 338.367 0.365 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001012490911 760077947 /nfs/dbraw/zinc/07/79/47/760077947.db2.gz AZODYFAZNKKJHV-AAEUAGOBSA-N 1 2 326.360 0.502 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H]([C@@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001050297628 760079503 /nfs/dbraw/zinc/07/95/03/760079503.db2.gz OCQNTTSVGHSUNZ-CABCVRRESA-N 1 2 348.447 0.909 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001012498886 760099370 /nfs/dbraw/zinc/09/93/70/760099370.db2.gz ZXTXGTOBFMRSBM-GWCFXTLKSA-N 1 2 326.360 0.571 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[NH+](Cc1nc(N(C)C)no1)CC2 ZINC001050463283 760307542 /nfs/dbraw/zinc/30/75/42/760307542.db2.gz NEYJNIGOZFFGHT-GFCCVEGCSA-N 1 2 332.408 0.720 20 30 ECEDLO C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001050493543 760359797 /nfs/dbraw/zinc/35/97/97/760359797.db2.gz ZQJAOCQDXGBSIU-NEPJUHHUSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000945478703 760362007 /nfs/dbraw/zinc/36/20/07/760362007.db2.gz XTZLPZRILWCKLH-DGCLKSJQSA-N 1 2 340.387 0.819 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)[C@@H]1C ZINC001050502520 760377617 /nfs/dbraw/zinc/37/76/17/760377617.db2.gz KIJIXHSWOGDSSK-YPMHNXCESA-N 1 2 325.376 0.706 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1nnc([C@@H]2CCCOC2)o1 ZINC001127046049 760452166 /nfs/dbraw/zinc/45/21/66/760452166.db2.gz KTGSMQDJUDCNRQ-CHWSQXEVSA-N 1 2 336.392 0.208 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)n3cccn3)nn2)C1 ZINC001107135107 760578016 /nfs/dbraw/zinc/57/80/16/760578016.db2.gz NAJRMJUOALXHJA-CYBMUJFWSA-N 1 2 327.392 0.232 20 30 ECEDLO C[C@H](NC(=O)Cc1c[nH+]cn1C)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001050666592 760644971 /nfs/dbraw/zinc/64/49/71/760644971.db2.gz QTNKCIYUXAYMMC-ZFWWWQNUSA-N 1 2 328.416 0.729 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CNc1cnc(C#N)cn1 ZINC001054437964 767976230 /nfs/dbraw/zinc/97/62/30/767976230.db2.gz FSFPYPKQVRRNDE-VXGBXAGGSA-N 1 2 325.376 0.820 20 30 ECEDLO C#CCOCCC(=O)NCC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001060233620 760760758 /nfs/dbraw/zinc/76/07/58/760760758.db2.gz ZHUOVGQMECMSKO-CQSZACIVSA-N 1 2 332.404 0.347 20 30 ECEDLO CN(CCOCCNc1cnc(C#N)cn1)C(=O)CCc1[nH]cc[nH+]1 ZINC001127300692 767984104 /nfs/dbraw/zinc/98/41/04/767984104.db2.gz QRLVPKWHRFALQQ-UHFFFAOYSA-N 1 2 343.391 0.591 20 30 ECEDLO Cn1c[nH+]cc1CN1CCOC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001050866251 761036224 /nfs/dbraw/zinc/03/62/24/761036224.db2.gz VKBIDEJHKIHYEL-CQSZACIVSA-N 1 2 328.376 0.251 20 30 ECEDLO Cc1nnc(C[N@H+]2C[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]3C2)[nH]1 ZINC001048748155 761105764 /nfs/dbraw/zinc/10/57/64/761105764.db2.gz BWJPHUHKLSDJLN-BETUJISGSA-N 1 2 325.376 0.517 20 30 ECEDLO Cc1nnc(C[N@@H+]2C[C@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@H]3C2)[nH]1 ZINC001048748155 761105770 /nfs/dbraw/zinc/10/57/70/761105770.db2.gz BWJPHUHKLSDJLN-BETUJISGSA-N 1 2 325.376 0.517 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCC)C[C@H]1OC ZINC001212148095 761243322 /nfs/dbraw/zinc/24/33/22/761243322.db2.gz AZLZINUQZCFWOY-BZUAXINKSA-N 1 2 337.464 0.910 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCCC)C[C@H]1OC ZINC001212148095 761243326 /nfs/dbraw/zinc/24/33/26/761243326.db2.gz AZLZINUQZCFWOY-BZUAXINKSA-N 1 2 337.464 0.910 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@H]([C@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001051019184 761348185 /nfs/dbraw/zinc/34/81/85/761348185.db2.gz VDRHDHDOFKIROZ-GJZGRUSLSA-N 1 2 348.447 0.909 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(Cn2ccnn2)o1 ZINC001051043527 761382345 /nfs/dbraw/zinc/38/23/45/761382345.db2.gz LCASAZNIFMFWEJ-CQSZACIVSA-N 1 2 345.403 0.926 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(Cn2ccnn2)o1 ZINC001051043527 761382353 /nfs/dbraw/zinc/38/23/53/761382353.db2.gz LCASAZNIFMFWEJ-CQSZACIVSA-N 1 2 345.403 0.926 20 30 ECEDLO C[C@H](NC(=O)CSCC#N)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001051058678 761411599 /nfs/dbraw/zinc/41/15/99/761411599.db2.gz FEZZOGQUMYSSSA-STQMWFEESA-N 1 2 335.433 0.493 20 30 ECEDLO COCc1noc(C[NH2+][C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)n1 ZINC001054554662 768039775 /nfs/dbraw/zinc/03/97/75/768039775.db2.gz ZSSNVEKZDIGGBZ-ZWNOBZJWSA-N 1 2 344.375 0.666 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@]3(F)CCOC3)[C@@H](O)C2)cc1 ZINC001083726554 768055433 /nfs/dbraw/zinc/05/54/33/768055433.db2.gz PCJSJIHWJXZFRG-HLLBOEOZSA-N 1 2 333.363 0.348 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@]3(F)CCOC3)[C@@H](O)C2)cc1 ZINC001083726554 768055440 /nfs/dbraw/zinc/05/54/40/768055440.db2.gz PCJSJIHWJXZFRG-HLLBOEOZSA-N 1 2 333.363 0.348 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(Cn2cccn2)on1 ZINC001051204661 761683638 /nfs/dbraw/zinc/68/36/38/761683638.db2.gz YYKRKTMOFLBMNW-AWEZNQCLSA-N 1 2 345.403 0.926 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(Cn2cccn2)on1 ZINC001051204661 761683642 /nfs/dbraw/zinc/68/36/42/761683642.db2.gz YYKRKTMOFLBMNW-AWEZNQCLSA-N 1 2 345.403 0.926 20 30 ECEDLO C=CCN1CCOC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001051207405 761688644 /nfs/dbraw/zinc/68/86/44/761688644.db2.gz SHDBVFLQTPMWLW-OAHLLOKOSA-N 1 2 327.388 0.884 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc2nnn(C)c2c1 ZINC001051227659 761721856 /nfs/dbraw/zinc/72/18/56/761721856.db2.gz QNHCFAKSTGBMTH-CQSZACIVSA-N 1 2 329.404 0.975 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc2nnn(C)c2c1 ZINC001051227659 761721862 /nfs/dbraw/zinc/72/18/62/761721862.db2.gz QNHCFAKSTGBMTH-CQSZACIVSA-N 1 2 329.404 0.975 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nnc(C)n2C1 ZINC001051253474 761770325 /nfs/dbraw/zinc/77/03/25/761770325.db2.gz REIHEMAMGJHDDC-CABCVRRESA-N 1 2 333.436 0.542 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nnc(C)n2C1 ZINC001051253474 761770332 /nfs/dbraw/zinc/77/03/32/761770332.db2.gz REIHEMAMGJHDDC-CABCVRRESA-N 1 2 333.436 0.542 20 30 ECEDLO Cc1nsc(N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)c1C#N ZINC001051701482 762732642 /nfs/dbraw/zinc/73/26/42/762732642.db2.gz SQJOPDNGIRRNMY-OLZOCXBDSA-N 1 2 346.416 0.276 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(c3cc[nH+]c(C)n3)C[C@H]2O)nc1 ZINC001051713668 762770991 /nfs/dbraw/zinc/77/09/91/762770991.db2.gz UJBNXFWPPGDPQA-GDBMZVCRSA-N 1 2 337.383 0.531 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](O)C2)C1 ZINC000991726513 762993857 /nfs/dbraw/zinc/99/38/57/762993857.db2.gz XCQYVSONQDBWOC-STQMWFEESA-N 1 2 332.404 0.387 20 30 ECEDLO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(=O)c(OC)co2)C1 ZINC001046956784 763460377 /nfs/dbraw/zinc/46/03/77/763460377.db2.gz GDDIUKIIKDWNHD-LLVKDONJSA-N 1 2 340.326 0.969 20 30 ECEDLO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(=O)c(OC)co2)C1 ZINC001046956784 763460380 /nfs/dbraw/zinc/46/03/80/763460380.db2.gz GDDIUKIIKDWNHD-LLVKDONJSA-N 1 2 340.326 0.969 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)CCC2(F)F)c1 ZINC001046970868 763490086 /nfs/dbraw/zinc/49/00/86/763490086.db2.gz PTIIMPRCSZOUJY-ZDUSSCGKSA-N 1 2 336.342 0.235 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)CCC2(F)F)c1 ZINC001046970868 763490089 /nfs/dbraw/zinc/49/00/89/763490089.db2.gz PTIIMPRCSZOUJY-ZDUSSCGKSA-N 1 2 336.342 0.235 20 30 ECEDLO CN1CC[C@H](C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)C1=O ZINC001031910584 763520107 /nfs/dbraw/zinc/52/01/07/763520107.db2.gz OLRGAWBKVPHWPG-OAHLLOKOSA-N 1 2 344.390 0.724 20 30 ECEDLO Cc1cnc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)cn1 ZINC001051998583 763551150 /nfs/dbraw/zinc/55/11/50/763551150.db2.gz VWSASDCYJVDEGO-YOEHRIQHSA-N 1 2 342.447 0.663 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn(CC)c3)C2)CC1 ZINC001052000736 763557654 /nfs/dbraw/zinc/55/76/54/763557654.db2.gz PHUTVUKZVCFCDZ-KRWDZBQOSA-N 1 2 329.448 0.758 20 30 ECEDLO CN1C(=O)CC[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031916565 763559701 /nfs/dbraw/zinc/55/97/01/763559701.db2.gz AOMQWMNYUICFRP-MRXNPFEDSA-N 1 2 326.400 0.727 20 30 ECEDLO CC(C)Cn1nccc1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052035722 763643179 /nfs/dbraw/zinc/64/31/79/763643179.db2.gz NXKNOEUHIVUENK-INIZCTEOSA-N 1 2 344.463 0.895 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnn(C(F)F)c3)C2)nn1 ZINC001098757344 763663124 /nfs/dbraw/zinc/66/31/24/763663124.db2.gz KJWZSLBDAFPXDB-ZDUSSCGKSA-N 1 2 349.345 0.680 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccc(C(N)=O)c3)C2)CC1 ZINC001052044763 763679784 /nfs/dbraw/zinc/67/97/84/763679784.db2.gz LUHRUEMENLNOMJ-QGZVFWFLSA-N 1 2 342.443 0.804 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001052045699 763684303 /nfs/dbraw/zinc/68/43/03/763684303.db2.gz SXQNFKHSOKWYJX-KGLIPLIRSA-N 1 2 349.460 0.741 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001052045734 763684567 /nfs/dbraw/zinc/68/45/67/763684567.db2.gz UCMDFQLNTNGPKI-QWHCGFSZSA-N 1 2 349.460 0.810 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001212185535 763685058 /nfs/dbraw/zinc/68/50/58/763685058.db2.gz WIRGAYXOPQOCII-RRFJBIMHSA-N 1 2 337.464 0.909 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1OC ZINC001212185535 763685061 /nfs/dbraw/zinc/68/50/61/763685061.db2.gz WIRGAYXOPQOCII-RRFJBIMHSA-N 1 2 337.464 0.909 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn4c3OCCC4)C2)CC1 ZINC001052047209 763689504 /nfs/dbraw/zinc/68/95/04/763689504.db2.gz IUNGDRYFDOMBDH-OAHLLOKOSA-N 1 2 343.431 0.131 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn4c3OCCC4)C2)CC1 ZINC001052047209 763689508 /nfs/dbraw/zinc/68/95/08/763689508.db2.gz IUNGDRYFDOMBDH-OAHLLOKOSA-N 1 2 343.431 0.131 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ncnc4[nH]ccc43)C2)CC1 ZINC001052047419 763690354 /nfs/dbraw/zinc/69/03/54/763690354.db2.gz MLZQHVRFKCZUFQ-ZDUSSCGKSA-N 1 2 339.403 0.265 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccccc3)C2)CC1 ZINC001052048193 763695385 /nfs/dbraw/zinc/69/53/85/763695385.db2.gz NLOYTFAYBAWDRY-QGZVFWFLSA-N 1 2 340.427 0.477 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C(=O)Nc3ccccc3)C2)CC1 ZINC001052048193 763695389 /nfs/dbraw/zinc/69/53/89/763695389.db2.gz NLOYTFAYBAWDRY-QGZVFWFLSA-N 1 2 340.427 0.477 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3CCCC(=O)N3)C2)CC1 ZINC001052049415 763701537 /nfs/dbraw/zinc/70/15/37/763701537.db2.gz LFYFMKFYQIHAHJ-IAGOWNOFSA-N 1 2 348.491 0.840 20 30 ECEDLO N#Cc1cnc(NC[C@@H](O)CNC(=O)c2cccc3[nH+]ccn32)cn1 ZINC001106017593 763701891 /nfs/dbraw/zinc/70/18/91/763701891.db2.gz MEMDFVZFHXYUSI-GFCCVEGCSA-N 1 2 337.343 0.199 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@]34CCC[C@H]3OCC4)C2)CC1 ZINC001052053470 763719068 /nfs/dbraw/zinc/71/90/68/763719068.db2.gz LZMQOWKRQHDDSF-NUJGCVRESA-N 1 2 332.448 0.688 20 30 ECEDLO N#Cc1ccc(NC[C@H](O)CNC(=O)c2cccc3[nH+]ccn32)nn1 ZINC001106018211 763726295 /nfs/dbraw/zinc/72/62/95/763726295.db2.gz SQDYNKBFDHMRLB-LBPRGKRZSA-N 1 2 337.343 0.199 20 30 ECEDLO CC(C)n1cnc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)c1 ZINC001052057415 763730795 /nfs/dbraw/zinc/73/07/95/763730795.db2.gz OFBBHADLTLDQMW-HNNXBMFYSA-N 1 2 330.436 0.820 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cn(C(C)C)cn3)C2)CC1 ZINC001052058590 763734936 /nfs/dbraw/zinc/73/49/36/763734936.db2.gz YXCIZKPWBZAMJG-INIZCTEOSA-N 1 2 329.448 0.929 20 30 ECEDLO C=C1CCC(C(=O)N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](O)C2)CC1 ZINC000991816327 763735413 /nfs/dbraw/zinc/73/54/13/763735413.db2.gz NAQGSVPTUDZJSQ-HZPDHXFCSA-N 1 2 346.431 0.777 20 30 ECEDLO Cc1nn(C)c(C)c1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052060118 763738922 /nfs/dbraw/zinc/73/89/22/763738922.db2.gz XKXVFOINIJMIIM-OAHLLOKOSA-N 1 2 330.436 0.393 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@]3(C)CCOC3)C2)nn1 ZINC001098758228 763750802 /nfs/dbraw/zinc/75/08/02/763750802.db2.gz XKQZXYMWCJSNNM-DOTOQJQBSA-N 1 2 331.420 0.591 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)COc3cnn(C)c3)C2)CC1 ZINC001052071121 763770817 /nfs/dbraw/zinc/77/08/17/763770817.db2.gz PLFNVRICAOITGV-INIZCTEOSA-N 1 2 347.463 0.594 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC001015063797 763791054 /nfs/dbraw/zinc/79/10/54/763791054.db2.gz ZKNSMFNIMSXGJH-CYBMUJFWSA-N 1 2 326.360 0.689 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC001015063797 763791057 /nfs/dbraw/zinc/79/10/57/763791057.db2.gz ZKNSMFNIMSXGJH-CYBMUJFWSA-N 1 2 326.360 0.689 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccnc(OCC)c3)C2)CC1 ZINC001052080821 763796406 /nfs/dbraw/zinc/79/64/06/763796406.db2.gz HCAOFPQCUDOIIJ-KRWDZBQOSA-N 1 2 342.443 0.946 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([NH+]3CCN([C@@H](C)C(N)=O)CC3)C2)C1 ZINC001052081412 763798819 /nfs/dbraw/zinc/79/88/19/763798819.db2.gz MFJMGEJTJQCNHJ-LSDHHAIUSA-N 1 2 334.464 0.435 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@H](N3CC[NH+]([C@@H](CC)C(N)=O)CC3)C2)C1 ZINC001052082143 763800304 /nfs/dbraw/zinc/80/03/04/763800304.db2.gz RBNYDRSEXCQBMI-HOTGVXAUSA-N 1 2 348.491 0.825 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@H]([NH+]3CCN([C@@H](CC)C(N)=O)CC3)C2)C1 ZINC001052082143 763800312 /nfs/dbraw/zinc/80/03/12/763800312.db2.gz RBNYDRSEXCQBMI-HOTGVXAUSA-N 1 2 348.491 0.825 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C3(CF)CCOCC3)C2)CC1 ZINC001052083489 763805934 /nfs/dbraw/zinc/80/59/34/763805934.db2.gz MKPJPWMBUZPNQU-INIZCTEOSA-N 1 2 337.439 0.604 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)Cn3nccc3C)C2)CC1 ZINC001052090111 763826960 /nfs/dbraw/zinc/82/69/60/763826960.db2.gz XFLYXTBIICMQLO-QGZVFWFLSA-N 1 2 331.464 0.986 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)CCc3cn[nH]c3)C2)CC1 ZINC001052093188 763836691 /nfs/dbraw/zinc/83/66/91/763836691.db2.gz KZTYIVUKCUDGHT-KRWDZBQOSA-N 1 2 329.448 0.584 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)C[C@H]3CCC(=O)N3)C2)CC1 ZINC001052096063 763845829 /nfs/dbraw/zinc/84/58/29/763845829.db2.gz DPVNLCQBVGJAGD-CVEARBPZSA-N 1 2 334.464 0.450 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@H]([NH+]3CCN(CC=C)CC3)C2)nn1 ZINC001052096639 763847554 /nfs/dbraw/zinc/84/75/54/763847554.db2.gz NVMHEHVPNZLSRA-INIZCTEOSA-N 1 2 344.463 0.872 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn(CC)c3C)C2)CC1 ZINC001052100750 763861096 /nfs/dbraw/zinc/86/10/96/763861096.db2.gz HRSZLSJUFSMGJK-MRXNPFEDSA-N 1 2 329.448 0.677 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(CC)nn3C)C2)CC1 ZINC001052101784 763864077 /nfs/dbraw/zinc/86/40/77/763864077.db2.gz VOPRMNAZGAVRHL-MRXNPFEDSA-N 1 2 329.448 0.448 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3coc(OCC)n3)C2)C1=O ZINC001015097025 763873478 /nfs/dbraw/zinc/87/34/78/763873478.db2.gz ORFVSXLPPOFIRQ-GXTWGEPZSA-N 1 2 348.403 0.664 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3coc(OCC)n3)C2)C1=O ZINC001015097025 763873490 /nfs/dbraw/zinc/87/34/90/763873490.db2.gz ORFVSXLPPOFIRQ-GXTWGEPZSA-N 1 2 348.403 0.664 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCc4n[nH]cc4C3)C2)CC1 ZINC001052106967 763883499 /nfs/dbraw/zinc/88/34/99/763883499.db2.gz YFYCVVAKDKRUSP-DOTOQJQBSA-N 1 2 343.475 0.919 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)Oc3ccccn3)C2)CC1 ZINC001052108149 763890699 /nfs/dbraw/zinc/89/06/99/763890699.db2.gz KECVEZAXCDRHSJ-IRXDYDNUSA-N 1 2 342.443 0.701 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3cccs3)C2)C1=O ZINC001047289210 763893729 /nfs/dbraw/zinc/89/37/29/763893729.db2.gz ZKJPFSCWUOAQTH-IHRRRGAJSA-N 1 2 349.456 0.652 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3cccs3)C2)C1=O ZINC001047289210 763893739 /nfs/dbraw/zinc/89/37/39/763893739.db2.gz ZKJPFSCWUOAQTH-IHRRRGAJSA-N 1 2 349.456 0.652 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCCC(=O)N3C)C2)CC1 ZINC001052112831 763909267 /nfs/dbraw/zinc/90/92/67/763909267.db2.gz FRSZSZKBMFREDR-DLBZAZTESA-N 1 2 348.491 0.792 20 30 ECEDLO CN(C(=O)[C@@H]1CCCO1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@@H]1O ZINC001047296051 763913483 /nfs/dbraw/zinc/91/34/83/763913483.db2.gz VIJNOIUHQWIZNH-ULQDDVLXSA-N 1 2 347.390 0.880 20 30 ECEDLO CN(C(=O)[C@@H]1CCCO1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H]1O ZINC001047296051 763913488 /nfs/dbraw/zinc/91/34/88/763913488.db2.gz VIJNOIUHQWIZNH-ULQDDVLXSA-N 1 2 347.390 0.880 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCN(C(C)=O)C3)C2)CC1 ZINC001052113538 763914179 /nfs/dbraw/zinc/91/41/79/763914179.db2.gz YLNRKXRWMQEJJN-ROUUACIJSA-N 1 2 346.475 0.097 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3c(C)noc3C)C2)CC1 ZINC001052116904 763925254 /nfs/dbraw/zinc/92/52/54/763925254.db2.gz AKHANABGRWPZRM-INIZCTEOSA-N 1 2 330.432 0.686 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(C(N)=O)cn3)C2)CC1 ZINC001052123675 763949843 /nfs/dbraw/zinc/94/98/43/763949843.db2.gz MCEFOTLTSAYSNI-OAHLLOKOSA-N 1 2 343.431 0.199 20 30 ECEDLO CN(C(=O)[C@@H]1CCOC1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@@H]1O ZINC001047322338 763991624 /nfs/dbraw/zinc/99/16/24/763991624.db2.gz OSXNIXPPGXKXFI-PVAVHDDUSA-N 1 2 347.390 0.737 20 30 ECEDLO CN(C(=O)[C@@H]1CCOC1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H]1O ZINC001047322338 763991632 /nfs/dbraw/zinc/99/16/32/763991632.db2.gz OSXNIXPPGXKXFI-PVAVHDDUSA-N 1 2 347.390 0.737 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](O)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001106041798 764046072 /nfs/dbraw/zinc/04/60/72/764046072.db2.gz ISIZCWKPGYKSPQ-ZDUSSCGKSA-N 1 2 347.463 0.956 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](O)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106041798 764046079 /nfs/dbraw/zinc/04/60/79/764046079.db2.gz ISIZCWKPGYKSPQ-ZDUSSCGKSA-N 1 2 347.463 0.956 20 30 ECEDLO Cc1nocc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001047338367 764046590 /nfs/dbraw/zinc/04/65/90/764046590.db2.gz WHHYJRBRKOSJJW-GJZGRUSLSA-N 1 2 329.360 0.500 20 30 ECEDLO Cc1nocc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001047338367 764046600 /nfs/dbraw/zinc/04/66/00/764046600.db2.gz WHHYJRBRKOSJJW-GJZGRUSLSA-N 1 2 329.360 0.500 20 30 ECEDLO Cc1cc(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)sn1 ZINC001047353559 764089201 /nfs/dbraw/zinc/08/92/01/764089201.db2.gz FOJSCTKSXOWPCI-GJZGRUSLSA-N 1 2 345.428 0.969 20 30 ECEDLO Cc1cc(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)sn1 ZINC001047353559 764089207 /nfs/dbraw/zinc/08/92/07/764089207.db2.gz FOJSCTKSXOWPCI-GJZGRUSLSA-N 1 2 345.428 0.969 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cnnn2CC)[C@@H]1C ZINC001088868320 764093255 /nfs/dbraw/zinc/09/32/55/764093255.db2.gz WRGAZZWBQXRMRC-OJLVUWQFSA-N 1 2 333.436 0.968 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cnnn2CC)[C@@H]1C ZINC001088868320 764093264 /nfs/dbraw/zinc/09/32/64/764093264.db2.gz WRGAZZWBQXRMRC-OJLVUWQFSA-N 1 2 333.436 0.968 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCc3nccs3)C2)nn1 ZINC001098784874 768193700 /nfs/dbraw/zinc/19/37/00/768193700.db2.gz LTYFDNVAOZEVOR-CQSZACIVSA-N 1 2 344.444 0.864 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn([C@H](C)COC)nc2C)C1 ZINC001047379462 764165312 /nfs/dbraw/zinc/16/53/12/764165312.db2.gz BDRUWIJMUNDLDI-KCXAZCMYSA-N 1 2 334.420 0.149 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn([C@H](C)COC)nc2C)C1 ZINC001047379462 764165314 /nfs/dbraw/zinc/16/53/14/764165314.db2.gz BDRUWIJMUNDLDI-KCXAZCMYSA-N 1 2 334.420 0.149 20 30 ECEDLO C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001052319559 764244008 /nfs/dbraw/zinc/24/40/08/764244008.db2.gz DHZGOXKSUJKVJR-JSGCOSHPSA-N 1 2 340.387 0.607 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnn(C(C)C)c3)C2)nn1 ZINC001098766699 764546058 /nfs/dbraw/zinc/54/60/58/764546058.db2.gz FSEDAQDYGRPSBM-INIZCTEOSA-N 1 2 341.419 0.866 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2C[NH+](C[C@@H]3CCS(=O)(=O)C3)C2)cn1 ZINC001032137877 764790579 /nfs/dbraw/zinc/79/05/79/764790579.db2.gz DHDRBLGTLIONIM-ZDUSSCGKSA-N 1 2 347.440 0.159 20 30 ECEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCC(=O)N1 ZINC001032138229 764791668 /nfs/dbraw/zinc/79/16/68/764791668.db2.gz RINOGTLNIZSNIY-INIZCTEOSA-N 1 2 329.375 0.504 20 30 ECEDLO C#CCOCCC(=O)N1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001052591554 764812316 /nfs/dbraw/zinc/81/23/16/764812316.db2.gz CHIWAJGLYQTGMS-HUUCEWRRSA-N 1 2 332.404 0.134 20 30 ECEDLO N#CCN1CCC[C@H](NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001052593994 764817177 /nfs/dbraw/zinc/81/71/77/764817177.db2.gz IFMAPUZNNSECFL-IRXDYDNUSA-N 1 2 334.464 0.982 20 30 ECEDLO N#CCN1CCC[C@H](NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001052593994 764817184 /nfs/dbraw/zinc/81/71/84/764817184.db2.gz IFMAPUZNNSECFL-IRXDYDNUSA-N 1 2 334.464 0.982 20 30 ECEDLO CN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)NC1=O ZINC001015513366 764846879 /nfs/dbraw/zinc/84/68/79/764846879.db2.gz CTSXAARVCUDYBC-CVEARBPZSA-N 1 2 344.390 0.391 20 30 ECEDLO CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)NC1=O ZINC001015513366 764846884 /nfs/dbraw/zinc/84/68/84/764846884.db2.gz CTSXAARVCUDYBC-CVEARBPZSA-N 1 2 344.390 0.391 20 30 ECEDLO CN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)NC1=O ZINC001015516058 764857117 /nfs/dbraw/zinc/85/71/17/764857117.db2.gz ZKLSRVYJWGPDAU-HIFRSBDPSA-N 1 2 345.378 0.411 20 30 ECEDLO CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)NC1=O ZINC001015516058 764857127 /nfs/dbraw/zinc/85/71/27/764857127.db2.gz ZKLSRVYJWGPDAU-HIFRSBDPSA-N 1 2 345.378 0.411 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(c3ccccc3)CCCO2)C1 ZINC001047610025 764871418 /nfs/dbraw/zinc/87/14/18/764871418.db2.gz SJCXSLJFFQEJIC-JENIJYKNSA-N 1 2 328.412 0.829 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(c3ccccc3)CCCO2)C1 ZINC001047610025 764871426 /nfs/dbraw/zinc/87/14/26/764871426.db2.gz SJCXSLJFFQEJIC-JENIJYKNSA-N 1 2 328.412 0.829 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC000993157162 768247775 /nfs/dbraw/zinc/24/77/75/768247775.db2.gz PTNYYKZOTUONHI-GDZNZVCISA-N 1 2 329.404 0.429 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)nnn3CC)C1 ZINC001047623833 764910673 /nfs/dbraw/zinc/91/06/73/764910673.db2.gz RAUARNJWUBGBRF-HOTGVXAUSA-N 1 2 327.388 0.202 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c(c2)nnn3CC)C1 ZINC001047623833 764910679 /nfs/dbraw/zinc/91/06/79/764910679.db2.gz RAUARNJWUBGBRF-HOTGVXAUSA-N 1 2 327.388 0.202 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+](Cc3nncn3C)CC2)c1 ZINC001052694189 764997963 /nfs/dbraw/zinc/99/79/63/764997963.db2.gz PZNQYUVDSSNVEV-INIZCTEOSA-N 1 2 338.415 0.976 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+](Cc3nncn3C)CC2)c1 ZINC001052694189 764997967 /nfs/dbraw/zinc/99/79/67/764997967.db2.gz PZNQYUVDSSNVEV-INIZCTEOSA-N 1 2 338.415 0.976 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cnn(C)n3)CC2)c1 ZINC001052693830 764998733 /nfs/dbraw/zinc/99/87/33/764998733.db2.gz LZPHAXFFRUXWJN-MRXNPFEDSA-N 1 2 338.415 0.976 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+](Cc3cnn(C)n3)CC2)c1 ZINC001052693830 764998735 /nfs/dbraw/zinc/99/87/35/764998735.db2.gz LZPHAXFFRUXWJN-MRXNPFEDSA-N 1 2 338.415 0.976 20 30 ECEDLO COCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cnc(C#N)cn2)C1 ZINC001052718775 765039441 /nfs/dbraw/zinc/03/94/41/765039441.db2.gz PAEQCLSFLIKYBC-CHWSQXEVSA-N 1 2 341.375 0.135 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3nc[nH]n3)CC2)C1=O ZINC001052805282 765155661 /nfs/dbraw/zinc/15/56/61/765155661.db2.gz NXZHDFNNYLWSRW-CHWSQXEVSA-N 1 2 332.408 0.176 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3nc[nH]n3)CC2)C1=O ZINC001052805282 765155666 /nfs/dbraw/zinc/15/56/66/765155666.db2.gz NXZHDFNNYLWSRW-CHWSQXEVSA-N 1 2 332.408 0.176 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(OC)nn2)C1 ZINC001015722035 765238967 /nfs/dbraw/zinc/23/89/67/765238967.db2.gz RDAZIUCQFHPXFI-YUELXQCFSA-N 1 2 332.404 0.767 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(OC)nn2)C1 ZINC001015722035 765238970 /nfs/dbraw/zinc/23/89/70/765238970.db2.gz RDAZIUCQFHPXFI-YUELXQCFSA-N 1 2 332.404 0.767 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001015956808 765609470 /nfs/dbraw/zinc/60/94/70/765609470.db2.gz JFTHVZCIAJASOR-LBPRGKRZSA-N 1 2 339.827 0.324 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001015956808 765609475 /nfs/dbraw/zinc/60/94/75/765609475.db2.gz JFTHVZCIAJASOR-LBPRGKRZSA-N 1 2 339.827 0.324 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001015956807 765609645 /nfs/dbraw/zinc/60/96/45/765609645.db2.gz JFTHVZCIAJASOR-GFCCVEGCSA-N 1 2 339.827 0.324 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2nc3n(c2=O)CCCC3)C1 ZINC001015956807 765609650 /nfs/dbraw/zinc/60/96/50/765609650.db2.gz JFTHVZCIAJASOR-GFCCVEGCSA-N 1 2 339.827 0.324 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cc3nc[nH]n3)C2)c(F)c1 ZINC001015967083 765633857 /nfs/dbraw/zinc/63/38/57/765633857.db2.gz DQZNTPHWNPUWBA-CYBMUJFWSA-N 1 2 328.351 0.749 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)Cc3nc[nH]n3)C2)c(F)c1 ZINC001015967083 765633859 /nfs/dbraw/zinc/63/38/59/765633859.db2.gz DQZNTPHWNPUWBA-CYBMUJFWSA-N 1 2 328.351 0.749 20 30 ECEDLO O=C(Cc1nc[nH]n1)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001015968222 765635808 /nfs/dbraw/zinc/63/58/08/765635808.db2.gz SPCBAHDUGHGMEP-HNNXBMFYSA-N 1 2 327.363 0.729 20 30 ECEDLO O=C(Cc1nc[nH]n1)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001015968222 765635813 /nfs/dbraw/zinc/63/58/13/765635813.db2.gz SPCBAHDUGHGMEP-HNNXBMFYSA-N 1 2 327.363 0.729 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3conc3COC)C2)C1=O ZINC001015981390 765660323 /nfs/dbraw/zinc/66/03/23/765660323.db2.gz PLAMOHRJHQRXTL-SWLSCSKDSA-N 1 2 348.403 0.412 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3conc3COC)C2)C1=O ZINC001015981390 765660328 /nfs/dbraw/zinc/66/03/28/765660328.db2.gz PLAMOHRJHQRXTL-SWLSCSKDSA-N 1 2 348.403 0.412 20 30 ECEDLO C=CCOCC(=O)NC[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001053156844 765672161 /nfs/dbraw/zinc/67/21/61/765672161.db2.gz WBOZWICXAJTFCW-LSDHHAIUSA-N 1 2 348.447 0.766 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)nc1 ZINC001016024920 765729158 /nfs/dbraw/zinc/72/91/58/765729158.db2.gz STCHAKBSYVJIKW-OAHLLOKOSA-N 1 2 326.400 0.489 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCCC3)C2)nc1 ZINC001016024920 765729161 /nfs/dbraw/zinc/72/91/61/765729161.db2.gz STCHAKBSYVJIKW-OAHLLOKOSA-N 1 2 326.400 0.489 20 30 ECEDLO N#Cc1nccnc1NC[C@H](O)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001106104488 765751157 /nfs/dbraw/zinc/75/11/57/765751157.db2.gz MOZIMRAJCVIGEJ-QWRGUYRKSA-N 1 2 341.375 0.080 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@@H+]1Cc1cnnn1C ZINC000993175179 768323053 /nfs/dbraw/zinc/32/30/53/768323053.db2.gz YWNRRRKPBODJNB-BXUZGUMPSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@H+]1Cc1cnnn1C ZINC000993175179 768323062 /nfs/dbraw/zinc/32/30/62/768323062.db2.gz YWNRRRKPBODJNB-BXUZGUMPSA-N 1 2 327.392 0.798 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1CCOC[C@@H]1OC)CCO2 ZINC001053284635 765903514 /nfs/dbraw/zinc/90/35/14/765903514.db2.gz CFBLSUDLDQIAQJ-HOTGVXAUSA-N 1 2 338.448 0.917 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCn3ccnc3C1)CCO2 ZINC001053315039 765955161 /nfs/dbraw/zinc/95/51/61/765955161.db2.gz AEVCJQIRSSMPNK-HNNXBMFYSA-N 1 2 330.432 0.935 20 30 ECEDLO N#CCN1CC2(C1)CN(C(=O)[C@H]1COCC[N@@H+]1C1CCCC1)CCO2 ZINC001053391540 766070554 /nfs/dbraw/zinc/07/05/54/766070554.db2.gz PESOYVXZKHHQNF-MRXNPFEDSA-N 1 2 348.447 0.067 20 30 ECEDLO N#CCN1CC2(C1)CN(C(=O)[C@H]1COCC[N@H+]1C1CCCC1)CCO2 ZINC001053391540 766070558 /nfs/dbraw/zinc/07/05/58/766070558.db2.gz PESOYVXZKHHQNF-MRXNPFEDSA-N 1 2 348.447 0.067 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(C[NH+](C[C@@H](CC)OC)C2)C1 ZINC001053436823 766131704 /nfs/dbraw/zinc/13/17/04/766131704.db2.gz FYEMOSIJMQJOJR-OAGGEKHMSA-N 1 2 338.448 0.916 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001016414195 766254745 /nfs/dbraw/zinc/25/47/45/766254745.db2.gz KAJBORJNLXUVCZ-UHFFFAOYSA-N 1 2 326.360 0.571 20 30 ECEDLO C=CCCOCC(=O)NC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001053508502 766259310 /nfs/dbraw/zinc/25/93/10/766259310.db2.gz OABYCRYNBMVPBN-ZIAGYGMSSA-N 1 2 334.420 0.756 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001016420340 766266427 /nfs/dbraw/zinc/26/64/27/766266427.db2.gz LAFQPIQAXVIKGH-UHFFFAOYSA-N 1 2 326.360 0.571 20 30 ECEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3COC(=O)N3)C2)ccc1F ZINC001031647485 766333880 /nfs/dbraw/zinc/33/38/80/766333880.db2.gz MDNIPTIRZRLERN-AWEZNQCLSA-N 1 2 332.335 0.354 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3conc3C)C[C@@H]2O)cc1 ZINC001083690942 766348888 /nfs/dbraw/zinc/34/88/88/766348888.db2.gz QZQVLRSMJAULJY-SJORKVTESA-N 1 2 325.368 0.939 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3conc3C)C[C@@H]2O)cc1 ZINC001083690942 766348900 /nfs/dbraw/zinc/34/89/00/766348900.db2.gz QZQVLRSMJAULJY-SJORKVTESA-N 1 2 325.368 0.939 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001045785641 766370360 /nfs/dbraw/zinc/37/03/60/766370360.db2.gz RXXVDGYAHFKICO-CXAGYDPISA-N 1 2 348.447 0.880 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001045785641 766370367 /nfs/dbraw/zinc/37/03/67/766370367.db2.gz RXXVDGYAHFKICO-CXAGYDPISA-N 1 2 348.447 0.880 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[C@@H](C)CC(=O)N1)O2 ZINC001053599290 766405709 /nfs/dbraw/zinc/40/57/09/766405709.db2.gz QCUFZZHMVJWEPM-QLFBSQMISA-N 1 2 335.448 0.827 20 30 ECEDLO C=CCC(C)(C)C(=O)NC[C@H](O)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001106129185 766434942 /nfs/dbraw/zinc/43/49/42/766434942.db2.gz DMLLQSPFPGHGEJ-CYBMUJFWSA-N 1 2 347.463 0.956 20 30 ECEDLO C=CCC(C)(C)C(=O)NC[C@H](O)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106129185 766434946 /nfs/dbraw/zinc/43/49/46/766434946.db2.gz DMLLQSPFPGHGEJ-CYBMUJFWSA-N 1 2 347.463 0.956 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cn(C)nc1COC)O2 ZINC001053618959 766446488 /nfs/dbraw/zinc/44/64/88/766446488.db2.gz GYMLYQLPCARJTJ-ZDUSSCGKSA-N 1 2 334.420 0.716 20 30 ECEDLO N#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCc3[nH+]ccn3C1)O2 ZINC001053619424 766449488 /nfs/dbraw/zinc/44/94/88/766449488.db2.gz RTHQHEYUJUGWCL-KBPBESRZSA-N 1 2 329.404 0.319 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCC3N=NC(=O)N3C1)O2 ZINC001053619586 766450456 /nfs/dbraw/zinc/45/04/56/766450456.db2.gz SWTOGJNWFOBLHU-CHWSQXEVSA-N 1 2 347.419 0.082 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccc(C(N)=O)c1)O2 ZINC001053619901 766452079 /nfs/dbraw/zinc/45/20/79/766452079.db2.gz ZDTLAOQYZWVYQU-HNNXBMFYSA-N 1 2 329.400 0.935 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCc2sc(C[NH2+][C@H]3CCN(C)C3=O)nc2C1 ZINC001089273854 766470449 /nfs/dbraw/zinc/47/04/49/766470449.db2.gz HXRYNCCLDLENSH-QWRGUYRKSA-N 1 2 347.444 0.508 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1coc(C(N)=O)c1)O2 ZINC001053638620 766493314 /nfs/dbraw/zinc/49/33/14/766493314.db2.gz RLIVFGOHHZDIIF-CYBMUJFWSA-N 1 2 333.388 0.918 20 30 ECEDLO C#Cc1cncc(C(=O)NC2C[NH+](CCCN3CCCC3=O)C2)c1 ZINC001030929108 766496313 /nfs/dbraw/zinc/49/63/13/766496313.db2.gz KZXVBHKNDVENNN-UHFFFAOYSA-N 1 2 326.400 0.489 20 30 ECEDLO CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 ZINC001212253493 766501314 /nfs/dbraw/zinc/50/13/14/766501314.db2.gz FUKWTURVTGOVKN-FVQBIDKESA-N 1 2 335.448 0.520 20 30 ECEDLO CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 ZINC001212253493 766501321 /nfs/dbraw/zinc/50/13/21/766501321.db2.gz FUKWTURVTGOVKN-FVQBIDKESA-N 1 2 335.448 0.520 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C)c(C(N)=O)cn1)O2 ZINC001053664330 766537745 /nfs/dbraw/zinc/53/77/45/766537745.db2.gz RCCLNTGSVKLYPV-CYBMUJFWSA-N 1 2 344.415 0.638 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCCN1C(N)=O)O2 ZINC001053687802 766591847 /nfs/dbraw/zinc/59/18/47/766591847.db2.gz ZJWNCEUTHNBUEM-KBPBESRZSA-N 1 2 336.436 0.455 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCN([C@@H]2CC[N@H+](Cc3nccn3C)C2)CC1 ZINC001046013455 766642155 /nfs/dbraw/zinc/64/21/55/766642155.db2.gz YTNQQCZPQWPZHR-HUUCEWRRSA-N 1 2 330.436 0.298 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3nccn3C)C2)CC1 ZINC001046013455 766642158 /nfs/dbraw/zinc/64/21/58/766642158.db2.gz YTNQQCZPQWPZHR-HUUCEWRRSA-N 1 2 330.436 0.298 20 30 ECEDLO O=C(C#CC1CC1)N1CCN([C@H]2CC[N@H+](Cc3ncccn3)C2)CC1 ZINC001046027846 766688577 /nfs/dbraw/zinc/68/85/77/766688577.db2.gz SJAYGYFASQFHME-KRWDZBQOSA-N 1 2 339.443 0.609 20 30 ECEDLO O=C(C#CC1CC1)N1CCN([C@H]2CC[N@@H+](Cc3ncccn3)C2)CC1 ZINC001046027846 766688581 /nfs/dbraw/zinc/68/85/81/766688581.db2.gz SJAYGYFASQFHME-KRWDZBQOSA-N 1 2 339.443 0.609 20 30 ECEDLO CC(C)(C)n1ccc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)n1 ZINC001046033182 766708714 /nfs/dbraw/zinc/70/87/14/766708714.db2.gz ADIKGHBDMXNVLJ-OAHLLOKOSA-N 1 2 344.463 0.994 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cccn4nccc34)CC2)C1 ZINC001046040578 766748388 /nfs/dbraw/zinc/74/83/88/766748388.db2.gz FGEWFUDRTZHBGP-HNNXBMFYSA-N 1 2 338.415 0.690 20 30 ECEDLO CCc1cccnc1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046040797 766749336 /nfs/dbraw/zinc/74/93/36/766749336.db2.gz LEVKJEIGULNZTA-INIZCTEOSA-N 1 2 327.432 1.000 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)C1 ZINC001046042609 766756652 /nfs/dbraw/zinc/75/66/52/766756652.db2.gz KANBIRAYTMSCEK-CQSZACIVSA-N 1 2 342.447 0.644 20 30 ECEDLO C[C@H](CC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1)c1cnn(C)c1 ZINC001046045949 766772852 /nfs/dbraw/zinc/77/28/52/766772852.db2.gz RSINEEITHQMTCW-WBVHZDCISA-N 1 2 344.463 0.656 20 30 ECEDLO Cc1cncc(CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)c1 ZINC001046046741 766774785 /nfs/dbraw/zinc/77/47/85/766774785.db2.gz HWNNGIZPLXUKPU-KRWDZBQOSA-N 1 2 327.432 0.675 20 30 ECEDLO Cn1nccc1[C@@H]1C[C@H]1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046047301 766777715 /nfs/dbraw/zinc/77/77/15/766777715.db2.gz KNROJCXIHQZESI-ARFHVFGLSA-N 1 2 342.447 0.266 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)Cc3ncccc3F)CC2)C1 ZINC001046054849 766801994 /nfs/dbraw/zinc/80/19/94/766801994.db2.gz QOXXCWQQSMJKCV-AWEZNQCLSA-N 1 2 331.395 0.505 20 30 ECEDLO COc1ncccc1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046057875 766816936 /nfs/dbraw/zinc/81/69/36/766816936.db2.gz ZHZLUXYOPKJXCN-CQSZACIVSA-N 1 2 329.404 0.446 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3ccc4c(c3)CCO4)CC2)C1 ZINC001046066248 766852419 /nfs/dbraw/zinc/85/24/19/766852419.db2.gz BFLDCHZWIRBSRU-QGZVFWFLSA-N 1 2 340.427 0.977 20 30 ECEDLO CCc1cc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)n(C)n1 ZINC001046074306 766890429 /nfs/dbraw/zinc/89/04/29/766890429.db2.gz XSPRTMUXVNSZDA-HNNXBMFYSA-N 1 2 330.436 0.338 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)CCc3cnccn3)CC2)C1 ZINC001046074640 766892251 /nfs/dbraw/zinc/89/22/51/766892251.db2.gz CNVZLFZODOCCND-INIZCTEOSA-N 1 2 328.420 0.151 20 30 ECEDLO CCc1cc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)nn1C ZINC001046087594 766930246 /nfs/dbraw/zinc/93/02/46/766930246.db2.gz UGLSSZDKEZHLRH-OAHLLOKOSA-N 1 2 330.436 0.338 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc3[nH]c(C)nc3c1)CO2 ZINC001053823069 766943102 /nfs/dbraw/zinc/94/31/02/766943102.db2.gz CNVGOZRLFDHHJT-CQSZACIVSA-N 1 2 339.399 0.863 20 30 ECEDLO C=CCC1(C(=O)NCC2(O)CN(C(=O)Cc3[nH]c[nH+]c3C)C2)CCC1 ZINC001046119798 766947824 /nfs/dbraw/zinc/94/78/24/766947824.db2.gz JJXFEFTYWRIFIK-UHFFFAOYSA-N 1 2 346.431 0.697 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cn(C(C)(C)C)nn1)CO2 ZINC001053825566 766949285 /nfs/dbraw/zinc/94/92/85/766949285.db2.gz UIVIRFKSBYLZBI-ZDUSSCGKSA-N 1 2 331.420 0.630 20 30 ECEDLO C=CCC1(C(=O)NCC2(O)CN(C(=O)Cc3c[nH+]cn3C)C2)CCC1 ZINC001046120270 766950152 /nfs/dbraw/zinc/95/01/52/766950152.db2.gz UTNRKSUQITZMER-UHFFFAOYSA-N 1 2 346.431 0.399 20 30 ECEDLO N#CCSCC(=O)NC[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001060755169 766955728 /nfs/dbraw/zinc/95/57/28/766955728.db2.gz QYUSZGWZTFYWDE-HDJSIYSDSA-N 1 2 349.460 0.931 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1ccc(C(N)=O)nc1)CO2 ZINC001053847875 767008672 /nfs/dbraw/zinc/00/86/72/767008672.db2.gz NSRAJXAOWLIOAC-CQSZACIVSA-N 1 2 344.415 0.259 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCn3cc(C)nc3C1)CO2 ZINC001053848318 767010706 /nfs/dbraw/zinc/01/07/06/767010706.db2.gz XTMRJDDFKMDNIP-CVEARBPZSA-N 1 2 342.443 0.737 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn(C)nc1COC)CO2 ZINC001053851517 767020221 /nfs/dbraw/zinc/02/02/21/767020221.db2.gz UEZKRPISAQFOHN-CYBMUJFWSA-N 1 2 332.404 0.163 20 30 ECEDLO CC#CCN1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3[nH+]c(C)[nH]c3C1)CO2 ZINC001053851343 767020899 /nfs/dbraw/zinc/02/08/99/767020899.db2.gz QMCCLYMBBCZSMT-LSDHHAIUSA-N 1 2 342.443 0.806 20 30 ECEDLO CC#CCN1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3[nH]c(C)[nH+]c3C1)CO2 ZINC001053851343 767020911 /nfs/dbraw/zinc/02/09/11/767020911.db2.gz QMCCLYMBBCZSMT-LSDHHAIUSA-N 1 2 342.443 0.806 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3nccn3C1)CO2 ZINC001053853008 767024038 /nfs/dbraw/zinc/02/40/38/767024038.db2.gz VLZBVUPBXWJVAY-LSDHHAIUSA-N 1 2 330.432 0.981 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC23CC[NH+](Cc2cnon2)CC3)nn1 ZINC001016867735 767066577 /nfs/dbraw/zinc/06/65/77/767066577.db2.gz LWVMLOKPMKELMR-CQSZACIVSA-N 1 2 343.391 0.632 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCN(C(C)=O)C1)CO2 ZINC001053864900 767068743 /nfs/dbraw/zinc/06/87/43/767068743.db2.gz MHWXILVHPOYBFJ-HZPDHXFCSA-N 1 2 335.448 0.781 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001083709389 767084803 /nfs/dbraw/zinc/08/48/03/767084803.db2.gz MYCYEVZSDOEJGP-WKULXVSPSA-N 1 2 326.396 0.092 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001083709389 767084813 /nfs/dbraw/zinc/08/48/13/767084813.db2.gz MYCYEVZSDOEJGP-WKULXVSPSA-N 1 2 326.396 0.092 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC2(CS(C)(=O)=O)CC2)[C@H](OC)C1 ZINC001212278981 767104647 /nfs/dbraw/zinc/10/46/47/767104647.db2.gz BBUKEZFECSBBBO-ZIAGYGMSSA-N 1 2 344.477 0.593 20 30 ECEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)CC2(CS(C)(=O)=O)CC2)[C@H](OC)C1 ZINC001212278981 767104649 /nfs/dbraw/zinc/10/46/49/767104649.db2.gz BBUKEZFECSBBBO-ZIAGYGMSSA-N 1 2 344.477 0.593 20 30 ECEDLO C#CCC[N@@H+]1C[C@@H](NC(=O)CC2(CS(C)(=O)=O)CC2)[C@H](OC)C1 ZINC001212279586 767109362 /nfs/dbraw/zinc/10/93/62/767109362.db2.gz PGEFQJWIXHGCQX-ZIAGYGMSSA-N 1 2 342.461 0.040 20 30 ECEDLO C#CCC[N@H+]1C[C@@H](NC(=O)CC2(CS(C)(=O)=O)CC2)[C@H](OC)C1 ZINC001212279586 767109363 /nfs/dbraw/zinc/10/93/63/767109363.db2.gz PGEFQJWIXHGCQX-ZIAGYGMSSA-N 1 2 342.461 0.040 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3ncccc3O)C2)C1=O ZINC001046262950 767116640 /nfs/dbraw/zinc/11/66/40/767116640.db2.gz ZEFUOYKQFHBREO-UGSOOPFHSA-N 1 2 344.415 0.768 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3ncccc3O)C2)C1=O ZINC001046262950 767116641 /nfs/dbraw/zinc/11/66/41/767116641.db2.gz ZEFUOYKQFHBREO-UGSOOPFHSA-N 1 2 344.415 0.768 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC(N)=O)nc1 ZINC001089724089 767128785 /nfs/dbraw/zinc/12/87/85/767128785.db2.gz RKOHBAKWCRXFCN-CQSZACIVSA-N 1 2 328.416 0.769 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC(N)=O)nc1 ZINC001089724089 767128786 /nfs/dbraw/zinc/12/87/86/767128786.db2.gz RKOHBAKWCRXFCN-CQSZACIVSA-N 1 2 328.416 0.769 20 30 ECEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001031748620 767141766 /nfs/dbraw/zinc/14/17/66/767141766.db2.gz CWFQOHFITYNIIN-INIZCTEOSA-N 1 2 326.400 0.632 20 30 ECEDLO CCN1CCOC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031797227 767225486 /nfs/dbraw/zinc/22/54/86/767225486.db2.gz KXRCKFRJQRXGRA-INIZCTEOSA-N 1 2 348.472 0.888 20 30 ECEDLO CCN1CCOC[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031797317 767225777 /nfs/dbraw/zinc/22/57/77/767225777.db2.gz OCQNWYGNNQTJAS-IBGZPJMESA-N 1 2 341.455 0.807 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCc3nn(C)cc31)CO2 ZINC001053907441 767324131 /nfs/dbraw/zinc/32/41/31/767324131.db2.gz WMWIGNASEZOWOC-LSDHHAIUSA-N 1 2 342.443 0.823 20 30 ECEDLO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCc3n[nH]nc31)CO2 ZINC001053908187 767327425 /nfs/dbraw/zinc/32/74/25/767327425.db2.gz MEXPUBAMDPJEDJ-CHWSQXEVSA-N 1 2 331.420 0.760 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2cc3occc3[nH]2)[C@H](OC)C1 ZINC001212344603 767343216 /nfs/dbraw/zinc/34/32/16/767343216.db2.gz DOETUZUPNNRTOO-GDBMZVCRSA-N 1 2 331.372 0.840 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2cc3occc3[nH]2)[C@H](OC)C1 ZINC001212344603 767343223 /nfs/dbraw/zinc/34/32/23/767343223.db2.gz DOETUZUPNNRTOO-GDBMZVCRSA-N 1 2 331.372 0.840 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C(N)=O)s1)CO2 ZINC001053956102 767446921 /nfs/dbraw/zinc/44/69/21/767446921.db2.gz ZKXKQEXPPQPVOF-LLVKDONJSA-N 1 2 333.413 0.443 20 30 ECEDLO C=CCO[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060464546 767508570 /nfs/dbraw/zinc/50/85/70/767508570.db2.gz ZVAYWPFXSRPOKD-UONOGXRCSA-N 1 2 334.420 0.898 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3n[nH]cc3C1)CO2 ZINC001053981334 767522012 /nfs/dbraw/zinc/52/20/12/767522012.db2.gz IEGSKFXSVSNLLN-HIFRSBDPSA-N 1 2 328.416 0.497 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H]1CCCCC(=O)N1)CO2 ZINC001053993198 767548315 /nfs/dbraw/zinc/54/83/15/767548315.db2.gz HMHHKDQURNEACU-HUUCEWRRSA-N 1 2 335.448 0.971 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3n[nH]nc3c1)CO2 ZINC001054005456 767574183 /nfs/dbraw/zinc/57/41/83/767574183.db2.gz JYKGIJQIUMPFMJ-ZDUSSCGKSA-N 1 2 325.372 0.554 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1noc3c1COCC3)CO2 ZINC001054015050 767602922 /nfs/dbraw/zinc/60/29/22/767602922.db2.gz XRWNDOYRFHUROT-LBPRGKRZSA-N 1 2 331.372 0.344 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(N(C)C)cn1)CO2 ZINC001054019072 767611938 /nfs/dbraw/zinc/61/19/38/767611938.db2.gz MYDIKPHBRLGEJT-AWEZNQCLSA-N 1 2 328.416 0.744 20 30 ECEDLO Cc1cc(C)c(C(=O)NC[C@@H](O)CNc2cnc(C#N)cn2)c(C)[nH+]1 ZINC001106183191 767735547 /nfs/dbraw/zinc/73/55/47/767735547.db2.gz SDTIHCRUFTVGJO-AWEZNQCLSA-N 1 2 340.387 0.871 20 30 ECEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCNC2=O)c1 ZINC001017791916 768373585 /nfs/dbraw/zinc/37/35/85/768373585.db2.gz GHGVWULDKILHGA-BBWFWOEESA-N 1 2 338.411 0.870 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCNC2=O)c1 ZINC001017791916 768373595 /nfs/dbraw/zinc/37/35/95/768373595.db2.gz GHGVWULDKILHGA-BBWFWOEESA-N 1 2 338.411 0.870 20 30 ECEDLO C[C@H](CCNc1ccnc(C#N)n1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001106624985 768519202 /nfs/dbraw/zinc/51/92/02/768519202.db2.gz FWERMZLWMDOILP-IJLUTSLNSA-N 1 2 325.376 0.604 20 30 ECEDLO C[C@H](CCNc1ccnc(C#N)n1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001106624985 768519207 /nfs/dbraw/zinc/51/92/07/768519207.db2.gz FWERMZLWMDOILP-IJLUTSLNSA-N 1 2 325.376 0.604 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1 ZINC001055064849 768552475 /nfs/dbraw/zinc/55/24/75/768552475.db2.gz XIELDQPAVUNYMC-SNPRPXQTSA-N 1 2 337.387 0.550 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@]2(C)C1 ZINC000993238915 768622387 /nfs/dbraw/zinc/62/23/87/768622387.db2.gz LQVBANOLCFBXIY-SUNYJGFJSA-N 1 2 343.431 0.819 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@]2(C)C1 ZINC000993246666 768637652 /nfs/dbraw/zinc/63/76/52/768637652.db2.gz PQROPVXICNQOAR-QWQRMKEZSA-N 1 2 343.431 0.819 20 30 ECEDLO N#Cc1ccc(N[C@@H]2CC[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)nn1 ZINC001060541230 768655786 /nfs/dbraw/zinc/65/57/86/768655786.db2.gz LJXZCQSXBOMQDG-IACUBPJLSA-N 1 2 337.387 0.963 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001055376451 768832492 /nfs/dbraw/zinc/83/24/92/768832492.db2.gz CISQGMPTNJFQFP-KFWWJZLASA-N 1 2 346.431 0.850 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001055376451 768832508 /nfs/dbraw/zinc/83/25/08/768832508.db2.gz CISQGMPTNJFQFP-KFWWJZLASA-N 1 2 346.431 0.850 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001055376452 768833241 /nfs/dbraw/zinc/83/32/41/768833241.db2.gz CISQGMPTNJFQFP-SOUVJXGZSA-N 1 2 346.431 0.850 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001055376452 768833251 /nfs/dbraw/zinc/83/32/51/768833251.db2.gz CISQGMPTNJFQFP-SOUVJXGZSA-N 1 2 346.431 0.850 20 30 ECEDLO C=CCC[NH2+]C[C@@H]1CN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@H]1C ZINC001106773772 768921494 /nfs/dbraw/zinc/92/14/94/768921494.db2.gz GVYLSGCNSSRVJE-CHWSQXEVSA-N 1 2 344.419 0.331 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)N1CCOCC1 ZINC001018295385 769049343 /nfs/dbraw/zinc/04/93/43/769049343.db2.gz NGLSVMFLRVPHBQ-FGTMMUONSA-N 1 2 331.460 0.796 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)N1CCOCC1 ZINC001018295385 769049350 /nfs/dbraw/zinc/04/93/50/769049350.db2.gz NGLSVMFLRVPHBQ-FGTMMUONSA-N 1 2 331.460 0.796 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cccc(C(N)=O)c1 ZINC001018301235 769056740 /nfs/dbraw/zinc/05/67/40/769056740.db2.gz OGPDVJBIYQSQNW-IYBDPMFKSA-N 1 2 341.411 0.863 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cccc(C(N)=O)c1 ZINC001018301235 769056752 /nfs/dbraw/zinc/05/67/52/769056752.db2.gz OGPDVJBIYQSQNW-IYBDPMFKSA-N 1 2 341.411 0.863 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001042083567 782731952 /nfs/dbraw/zinc/73/19/52/782731952.db2.gz BOFGEKSQUJNFAO-BXUZGUMPSA-N 1 2 325.376 0.265 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@H](O)C(C)C)C2)CC1 ZINC001018368166 769219114 /nfs/dbraw/zinc/21/91/14/769219114.db2.gz XYFPRGZRULCWLE-JKSUJKDBSA-N 1 2 337.464 0.572 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)c2cn[nH]n2)CC1 ZINC001055597621 769220895 /nfs/dbraw/zinc/22/08/95/769220895.db2.gz YYWQJWPJEAQWLU-CYBMUJFWSA-N 1 2 348.451 0.717 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)c2cnn[nH]2)CC1 ZINC001055597621 769220900 /nfs/dbraw/zinc/22/09/00/769220900.db2.gz YYWQJWPJEAQWLU-CYBMUJFWSA-N 1 2 348.451 0.717 20 30 ECEDLO COCc1noc(C[NH2+][C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001018730987 769820978 /nfs/dbraw/zinc/82/09/78/769820978.db2.gz LQFSGIKELUXLSY-NSHDSACASA-N 1 2 330.348 0.420 20 30 ECEDLO CC(C)(C(=O)N1CCN(c2nccnc2C#N)CC1)[NH+]1CCOCC1 ZINC001055852314 769975496 /nfs/dbraw/zinc/97/54/96/769975496.db2.gz GRQGPOAYVIUICB-UHFFFAOYSA-N 1 2 344.419 0.108 20 30 ECEDLO C#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001055913136 770192308 /nfs/dbraw/zinc/19/23/08/770192308.db2.gz WNFBREJYUAGMES-KRWDZBQOSA-N 1 2 332.404 0.156 20 30 ECEDLO N#Cc1nccnc1N1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001055940108 770297730 /nfs/dbraw/zinc/29/77/30/770297730.db2.gz FMUYFJVZJLMSGD-ZDUSSCGKSA-N 1 2 337.387 0.456 20 30 ECEDLO N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)nn1 ZINC001055942267 770304634 /nfs/dbraw/zinc/30/46/34/770304634.db2.gz QEEUBWVGKITMAT-CYBMUJFWSA-N 1 2 337.387 0.456 20 30 ECEDLO N#Cc1cncc(N2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)n1 ZINC001055942720 770305185 /nfs/dbraw/zinc/30/51/85/770305185.db2.gz YDHWPNVWDGVDTM-CYBMUJFWSA-N 1 2 337.387 0.456 20 30 ECEDLO C=C(C)CCC(=O)N[C@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001055972260 770406411 /nfs/dbraw/zinc/40/64/11/770406411.db2.gz ACDMREOUQWBZBG-QGZVFWFLSA-N 1 2 334.420 0.778 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccn(CC)n2)C1 ZINC001018986083 770485250 /nfs/dbraw/zinc/48/52/50/770485250.db2.gz QXQNQBAZAREKSJ-IRXDYDNUSA-N 1 2 329.448 0.691 20 30 ECEDLO C=CCCCC(=O)N1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001055998181 770501412 /nfs/dbraw/zinc/50/14/12/770501412.db2.gz OYXGYKXUTOBMIQ-KRWDZBQOSA-N 1 2 334.420 0.709 20 30 ECEDLO Cc1cc(C#N)nc(N2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)n1 ZINC001056060397 770708903 /nfs/dbraw/zinc/70/89/03/770708903.db2.gz VUKKRTHQDKKUPU-UHFFFAOYSA-N 1 2 325.376 0.661 20 30 ECEDLO Cc1cc(C#N)nc(N2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)n1 ZINC001056060397 770708909 /nfs/dbraw/zinc/70/89/09/770708909.db2.gz VUKKRTHQDKKUPU-UHFFFAOYSA-N 1 2 325.376 0.661 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N2CCN(c3ccc(C#N)nn3)CC2)c[nH+]1 ZINC001056070191 770744023 /nfs/dbraw/zinc/74/40/23/770744023.db2.gz ZXKKPOVRGFTYEU-UHFFFAOYSA-N 1 2 339.403 0.937 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CCN(C(=O)C#CC1CC1)C2 ZINC001019242296 771050097 /nfs/dbraw/zinc/05/00/97/771050097.db2.gz XLCAZIFCHZUJNJ-UHFFFAOYSA-N 1 2 326.400 0.735 20 30 ECEDLO N#Cc1cccnc1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001056333431 771139660 /nfs/dbraw/zinc/13/96/60/771139660.db2.gz KWURTYUEPFGZDB-QMCVQRASSA-N 1 2 348.410 0.963 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000994572170 771149958 /nfs/dbraw/zinc/14/99/58/771149958.db2.gz SISYEFAXMXIWRZ-WQVCFCJDSA-N 1 2 344.415 0.364 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001019366479 771211297 /nfs/dbraw/zinc/21/12/97/771211297.db2.gz FHUCFWBTZAFRGC-STQMWFEESA-N 1 2 329.404 0.809 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001019366479 771211299 /nfs/dbraw/zinc/21/12/99/771211299.db2.gz FHUCFWBTZAFRGC-STQMWFEESA-N 1 2 329.404 0.809 20 30 ECEDLO N#Cc1cnc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)cn1 ZINC001056399497 771223635 /nfs/dbraw/zinc/22/36/35/771223635.db2.gz PJVARHSCSOPDON-FOCJUVANSA-N 1 2 349.398 0.742 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC001056405568 771234277 /nfs/dbraw/zinc/23/42/77/771234277.db2.gz NRGSSNHZGDMIRV-HZPDHXFCSA-N 1 2 344.415 0.515 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nnc(C)o3)C2)nn1 ZINC001019493654 771357789 /nfs/dbraw/zinc/35/77/89/771357789.db2.gz IBDADYULAZPYGD-LBPRGKRZSA-N 1 2 331.380 0.550 20 30 ECEDLO Cc1c(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)nnn1C ZINC001031593219 771363244 /nfs/dbraw/zinc/36/32/44/771363244.db2.gz SFOLZIWJOAQXQC-UHFFFAOYSA-N 1 2 342.378 0.996 20 30 ECEDLO C=CCCC(=O)N1C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001056637430 771454814 /nfs/dbraw/zinc/45/48/14/771454814.db2.gz WEPLBAOFCQVCBC-ARFHVFGLSA-N 1 2 335.448 0.733 20 30 ECEDLO C=CCCC(=O)N1C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001056637430 771454816 /nfs/dbraw/zinc/45/48/16/771454816.db2.gz WEPLBAOFCQVCBC-ARFHVFGLSA-N 1 2 335.448 0.733 20 30 ECEDLO CCn1nnc(C)c1C[NH+]1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001031621406 771474158 /nfs/dbraw/zinc/47/41/58/771474158.db2.gz ZZHPIHHDKYJWKM-UHFFFAOYSA-N 1 2 327.392 0.668 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cc(OC)no3)C2)C1=O ZINC001007163830 771492228 /nfs/dbraw/zinc/49/22/28/771492228.db2.gz ABSLJQCRSKZGEY-CHWSQXEVSA-N 1 2 348.403 0.664 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cc(OC)no3)C2)C1=O ZINC001007163830 771492230 /nfs/dbraw/zinc/49/22/30/771492230.db2.gz ABSLJQCRSKZGEY-CHWSQXEVSA-N 1 2 348.403 0.664 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC000994648328 771520919 /nfs/dbraw/zinc/52/09/19/771520919.db2.gz SMGWSZNUHGFYTN-XOUADPBQSA-N 1 2 346.431 0.754 20 30 ECEDLO N#Cc1nccc(N[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)n1 ZINC001056724860 771560075 /nfs/dbraw/zinc/56/00/75/771560075.db2.gz PFJOLVAEPMHDIV-CHWSQXEVSA-N 1 2 337.387 0.242 20 30 ECEDLO CN(c1nccnc1C#N)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001056942095 771839839 /nfs/dbraw/zinc/83/98/39/771839839.db2.gz PPZVYZDSTSHHJT-LBPRGKRZSA-N 1 2 325.376 0.362 20 30 ECEDLO CN(c1nccnc1C#N)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001056952565 771857596 /nfs/dbraw/zinc/85/75/96/771857596.db2.gz NTYGVMXEJAKGOL-AWEZNQCLSA-N 1 2 339.403 0.752 20 30 ECEDLO Cc1cc(C#N)nc(N(C)[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001056956172 771863475 /nfs/dbraw/zinc/86/34/75/771863475.db2.gz TUHDARPHPJWRND-CYBMUJFWSA-N 1 2 325.376 0.660 20 30 ECEDLO CCc1nc(C#N)cc(N(C)[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)n1 ZINC001057038331 771979733 /nfs/dbraw/zinc/97/97/33/771979733.db2.gz GTUXKNACHVRYLY-CQSZACIVSA-N 1 2 339.403 0.914 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCCN(c2ccnc(C#N)n2)CC1 ZINC001057157479 772187931 /nfs/dbraw/zinc/18/79/31/772187931.db2.gz IEBKDYQERQAWDR-UHFFFAOYSA-N 1 2 325.376 0.363 20 30 ECEDLO CC(C)(C(=O)N1CCC(Nc2ccnc(C#N)n2)CC1)c1c[nH+]c[nH]1 ZINC001057348586 772499099 /nfs/dbraw/zinc/49/90/99/772499099.db2.gz PTEWZHSRZFJLTC-UHFFFAOYSA-N 1 2 339.403 0.874 20 30 ECEDLO C#CCCCC(=O)N(CCO)CCNC(=O)CCc1[nH+]ccn1C ZINC001057439567 772615983 /nfs/dbraw/zinc/61/59/83/772615983.db2.gz RZJGCEVSPAWMKZ-UHFFFAOYSA-N 1 2 334.420 0.093 20 30 ECEDLO C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001057940944 773229405 /nfs/dbraw/zinc/22/94/05/773229405.db2.gz BIBAIHKALDXSEN-OAHLLOKOSA-N 1 2 346.431 0.186 20 30 ECEDLO C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001057946603 773249173 /nfs/dbraw/zinc/24/91/73/773249173.db2.gz GWRVEZNRYGJYKM-HNNXBMFYSA-N 1 2 348.447 0.739 20 30 ECEDLO CCc1nc(C#N)cc(N2CCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001058172247 773695847 /nfs/dbraw/zinc/69/58/47/773695847.db2.gz WZGMKILOGCQFKZ-ZDUSSCGKSA-N 1 2 339.403 0.892 20 30 ECEDLO C=CC(C)(C)CC(=O)NC[C@]1(O)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001039818557 783146643 /nfs/dbraw/zinc/14/66/43/783146643.db2.gz GTQROPUEFNIWIQ-GOSISDBHSA-N 1 2 348.447 0.955 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCN(c2ncc(C#N)cc2F)C1 ZINC001058403705 774114615 /nfs/dbraw/zinc/11/46/15/774114615.db2.gz WHWZRMWZBDMHIS-LBPRGKRZSA-N 1 2 328.351 0.763 20 30 ECEDLO CCc1nc(C#N)cc(N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001058425248 774152912 /nfs/dbraw/zinc/15/29/12/774152912.db2.gz WSOURIZYOIBQHT-LLVKDONJSA-N 1 2 325.376 0.571 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001058435293 774174556 /nfs/dbraw/zinc/17/45/56/774174556.db2.gz HUARBNCJHAOOEU-CHWSQXEVSA-N 1 2 336.436 0.656 20 30 ECEDLO N#Cc1cnc(N2CC[C@@H](NC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)cn1 ZINC001058474425 774255694 /nfs/dbraw/zinc/25/56/94/774255694.db2.gz HKHAXTGCEKVMPS-QWHCGFSZSA-N 1 2 337.387 0.502 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(c2nccnc2C#N)C1 ZINC001058548189 774412709 /nfs/dbraw/zinc/41/27/09/774412709.db2.gz IQDHOCWONBPLEK-YNEHKIRRSA-N 1 2 337.387 0.580 20 30 ECEDLO CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001045002662 774820435 /nfs/dbraw/zinc/82/04/35/774820435.db2.gz DJKGWBKCAKYYBS-AWEZNQCLSA-N 1 2 346.431 0.471 20 30 ECEDLO CC#CCCCC(=O)NCC1(O)CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001045002662 774820440 /nfs/dbraw/zinc/82/04/40/774820440.db2.gz DJKGWBKCAKYYBS-AWEZNQCLSA-N 1 2 346.431 0.471 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001045059017 774910824 /nfs/dbraw/zinc/91/08/24/774910824.db2.gz KXNFYPZQTZHUQD-ZDUSSCGKSA-N 1 2 334.420 0.254 20 30 ECEDLO C=CCCCC(=O)NCC1(O)CN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001045458549 775640379 /nfs/dbraw/zinc/64/03/79/775640379.db2.gz FFABWAHAKTZUJP-AWEZNQCLSA-N 1 2 334.420 0.880 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)nn2CC)[C@@H](n2ccnn2)C1 ZINC001070035120 790402217 /nfs/dbraw/zinc/40/22/17/790402217.db2.gz JSASJUPTMYRKSF-HIFRSBDPSA-N 1 2 327.392 0.091 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)nn2CC)[C@@H](n2ccnn2)C1 ZINC001070035120 790402222 /nfs/dbraw/zinc/40/22/22/790402222.db2.gz JSASJUPTMYRKSF-HIFRSBDPSA-N 1 2 327.392 0.091 20 30 ECEDLO C=C(Cl)CN1CC(N(C)C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001044320925 776146015 /nfs/dbraw/zinc/14/60/15/776146015.db2.gz FDQWCMMUPNOEFV-HNNXBMFYSA-N 1 2 327.856 0.992 20 30 ECEDLO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001044475312 776335650 /nfs/dbraw/zinc/33/56/50/776335650.db2.gz OPYJQPOPMCYHEN-ZDUSSCGKSA-N 1 2 346.431 0.347 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001044714882 776687008 /nfs/dbraw/zinc/68/70/08/776687008.db2.gz PQANHFYYAATHSI-AWEZNQCLSA-N 1 2 348.447 0.645 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001079689378 776691413 /nfs/dbraw/zinc/69/14/13/776691413.db2.gz BPESBPBGEGUTTO-QGZVFWFLSA-N 1 2 334.420 0.729 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001079689378 776691415 /nfs/dbraw/zinc/69/14/15/776691415.db2.gz BPESBPBGEGUTTO-QGZVFWFLSA-N 1 2 334.420 0.729 20 30 ECEDLO CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001079741410 776785012 /nfs/dbraw/zinc/78/50/12/776785012.db2.gz GYIAFTZYRXRHNF-OAHLLOKOSA-N 1 2 340.427 0.918 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001079854803 776983750 /nfs/dbraw/zinc/98/37/50/776983750.db2.gz DGVQHEMDRIEDJZ-KBPBESRZSA-N 1 2 346.431 0.686 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001079854803 776983756 /nfs/dbraw/zinc/98/37/56/776983756.db2.gz DGVQHEMDRIEDJZ-KBPBESRZSA-N 1 2 346.431 0.686 20 30 ECEDLO CCN(C(=O)CCc1c[nH]c[nH+]1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001079963122 777158684 /nfs/dbraw/zinc/15/86/84/777158684.db2.gz PLNJVBAUIKARBK-UHFFFAOYSA-N 1 2 340.387 0.915 20 30 ECEDLO CCN(C(=O)CCc1c[nH+]c[nH]1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001079963122 777158691 /nfs/dbraw/zinc/15/86/91/777158691.db2.gz PLNJVBAUIKARBK-UHFFFAOYSA-N 1 2 340.387 0.915 20 30 ECEDLO C=CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001079982663 777190880 /nfs/dbraw/zinc/19/08/80/777190880.db2.gz IICBMBWIFXSEKS-CQSZACIVSA-N 1 2 334.420 0.924 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2conc2COC)[C@@H](n2ccnn2)C1 ZINC001070075060 790517819 /nfs/dbraw/zinc/51/78/19/790517819.db2.gz PGVZSRCNTUXJNQ-OCCSQVGLSA-N 1 2 332.364 0.254 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2conc2COC)[C@@H](n2ccnn2)C1 ZINC001070075060 790517823 /nfs/dbraw/zinc/51/78/23/790517823.db2.gz PGVZSRCNTUXJNQ-OCCSQVGLSA-N 1 2 332.364 0.254 20 30 ECEDLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CN(C(=O)CSCC#N)C1 ZINC001080014024 777231040 /nfs/dbraw/zinc/23/10/40/777231040.db2.gz IMSVSPCOOWWWAM-CHWSQXEVSA-N 1 2 347.444 0.829 20 30 ECEDLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CN(C(=O)CSCC#N)C1 ZINC001080014024 777231047 /nfs/dbraw/zinc/23/10/47/777231047.db2.gz IMSVSPCOOWWWAM-CHWSQXEVSA-N 1 2 347.444 0.829 20 30 ECEDLO C=CCOCCCC(=O)N1CC(N(CC)C(=O)Cn2cc[nH+]c2)C1 ZINC001080031673 777269491 /nfs/dbraw/zinc/26/94/91/777269491.db2.gz FJOQHMNZQGPXHG-UHFFFAOYSA-N 1 2 334.420 0.925 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(CC)C(=O)Cn2cc[nH+]c2)C1 ZINC001080035278 777279854 /nfs/dbraw/zinc/27/98/54/777279854.db2.gz YYTMNUKJIIHXLD-CVEARBPZSA-N 1 2 346.431 0.924 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(N(C)C)cc2)[C@@H](n2ccnn2)C1 ZINC001070083543 790544652 /nfs/dbraw/zinc/54/46/52/790544652.db2.gz KAGZXOAJESBAKF-SJORKVTESA-N 1 2 338.415 0.633 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(N(C)C)cc2)[C@@H](n2ccnn2)C1 ZINC001070083543 790544662 /nfs/dbraw/zinc/54/46/62/790544662.db2.gz KAGZXOAJESBAKF-SJORKVTESA-N 1 2 338.415 0.633 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001080199474 777543389 /nfs/dbraw/zinc/54/33/89/777543389.db2.gz CCIWTMAJUPATTK-CYBMUJFWSA-N 1 2 332.404 0.358 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)CCc2c[nH+]cn2C)C1 ZINC001080246938 777604949 /nfs/dbraw/zinc/60/49/49/777604949.db2.gz RQJUVULZHKWVCR-GOSISDBHSA-N 1 2 348.447 0.739 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)CC1 ZINC001080391612 777785527 /nfs/dbraw/zinc/78/55/27/777785527.db2.gz UCUFHJXMNXKCKE-TZMCWYRMSA-N 1 2 333.436 0.791 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)CC1 ZINC001080391612 777785533 /nfs/dbraw/zinc/78/55/33/777785533.db2.gz UCUFHJXMNXKCKE-TZMCWYRMSA-N 1 2 333.436 0.791 20 30 ECEDLO C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001043320091 778152881 /nfs/dbraw/zinc/15/28/81/778152881.db2.gz MLSSTTDZWHVAGO-CQSZACIVSA-N 1 2 346.431 0.491 20 30 ECEDLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1Nc1cncc(C#N)n1 ZINC001043427686 778310020 /nfs/dbraw/zinc/31/00/20/778310020.db2.gz ZGNVMSYQKCHMHL-TZMCWYRMSA-N 1 2 325.376 0.894 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)n2c(C)ccc2C)[C@@H](n2ccnn2)C1 ZINC001070102836 790613825 /nfs/dbraw/zinc/61/38/25/790613825.db2.gz YXZYYXWFSLEAQU-ZACQAIPSSA-N 1 2 340.431 0.932 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)n2c(C)ccc2C)[C@@H](n2ccnn2)C1 ZINC001070102836 790613829 /nfs/dbraw/zinc/61/38/29/790613829.db2.gz YXZYYXWFSLEAQU-ZACQAIPSSA-N 1 2 340.431 0.932 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001043524432 778463796 /nfs/dbraw/zinc/46/37/96/778463796.db2.gz HUJZISXWZOYTKU-INIZCTEOSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001043524432 778463800 /nfs/dbraw/zinc/46/38/00/778463800.db2.gz HUJZISXWZOYTKU-INIZCTEOSA-N 1 2 334.420 0.634 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(CC)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001070109203 790633230 /nfs/dbraw/zinc/63/32/30/790633230.db2.gz KXLOMWIXNOWQMG-CVEARBPZSA-N 1 2 341.419 0.253 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(CC)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001070109203 790633234 /nfs/dbraw/zinc/63/32/34/790633234.db2.gz KXLOMWIXNOWQMG-CVEARBPZSA-N 1 2 341.419 0.253 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[C@H](CNC(=O)CCc1c[nH]c[nH+]1)O2 ZINC001068586725 790638899 /nfs/dbraw/zinc/63/88/99/790638899.db2.gz JFMLVVXPPHFXRX-TZMCWYRMSA-N 1 2 345.403 0.378 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[C@H](CNC(=O)CCc1c[nH+]c[nH]1)O2 ZINC001068586725 790638904 /nfs/dbraw/zinc/63/89/04/790638904.db2.gz JFMLVVXPPHFXRX-TZMCWYRMSA-N 1 2 345.403 0.378 20 30 ECEDLO C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001043671400 778695608 /nfs/dbraw/zinc/69/56/08/778695608.db2.gz MMCILHUWXPEJQK-CHWSQXEVSA-N 1 2 332.404 0.559 20 30 ECEDLO C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001043671400 778695613 /nfs/dbraw/zinc/69/56/13/778695613.db2.gz MMCILHUWXPEJQK-CHWSQXEVSA-N 1 2 332.404 0.559 20 30 ECEDLO C=CCCC1(C(=O)N2CC(O)(CNC(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001043712623 778760177 /nfs/dbraw/zinc/76/01/77/778760177.db2.gz YVKXFPNTCQNXTO-UHFFFAOYSA-N 1 2 332.404 0.319 20 30 ECEDLO N#CCN1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079239105 780913616 /nfs/dbraw/zinc/91/36/16/780913616.db2.gz BXWUYHHXVWODJM-LSDHHAIUSA-N 1 2 343.431 0.805 20 30 ECEDLO CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001042969860 781117116 /nfs/dbraw/zinc/11/71/16/781117116.db2.gz BCFDMWPIAIPLTB-UHFFFAOYSA-N 1 2 346.431 0.402 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cncs3)C2)C1=O ZINC001079464767 781148310 /nfs/dbraw/zinc/14/83/10/781148310.db2.gz MZUBXKFCYSDDOZ-UPJWGTAASA-N 1 2 334.445 0.980 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cncs3)C2)C1=O ZINC001079464767 781148314 /nfs/dbraw/zinc/14/83/14/781148314.db2.gz MZUBXKFCYSDDOZ-UPJWGTAASA-N 1 2 334.445 0.980 20 30 ECEDLO C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001077633283 781390733 /nfs/dbraw/zinc/39/07/33/781390733.db2.gz KJLWNCIFXVJRBE-LBPRGKRZSA-N 1 2 325.372 0.653 20 30 ECEDLO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3n[nH]cc3F)C2)c1 ZINC001077634319 781393025 /nfs/dbraw/zinc/39/30/25/781393025.db2.gz UWQVIZGOMXNZCA-ZIAGYGMSSA-N 1 2 329.335 0.396 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3n[nH]cc3F)C2)c1 ZINC001077634319 781393034 /nfs/dbraw/zinc/39/30/34/781393034.db2.gz UWQVIZGOMXNZCA-ZIAGYGMSSA-N 1 2 329.335 0.396 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCO[C@@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC001041483055 781605483 /nfs/dbraw/zinc/60/54/83/781605483.db2.gz PNHKYVZLLWIJBR-NEPJUHHUSA-N 1 2 343.391 0.552 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)CCc1[nH+]ccn1C ZINC001077792769 781707343 /nfs/dbraw/zinc/70/73/43/781707343.db2.gz AWOGDBDFLZQGLM-KBPBESRZSA-N 1 2 336.436 0.955 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001077813315 781743650 /nfs/dbraw/zinc/74/36/50/781743650.db2.gz HFPVMMOYWYUYPM-KBPBESRZSA-N 1 2 334.420 0.402 20 30 ECEDLO C=C1CCC(C(=O)N2CC[C@@](O)(CNC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001040692802 783276866 /nfs/dbraw/zinc/27/68/66/783276866.db2.gz AKCKCFNLSHUZDZ-GOSISDBHSA-N 1 2 346.431 0.778 20 30 ECEDLO C#CCCCCC(=O)N1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040696108 783286348 /nfs/dbraw/zinc/28/63/48/783286348.db2.gz XXEBYDWESOPVFR-KRWDZBQOSA-N 1 2 332.404 0.225 20 30 ECEDLO C[C@@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001040768924 783399502 /nfs/dbraw/zinc/39/95/02/783399502.db2.gz GRJIGNDZXNDZDT-APPDUMDISA-N 1 2 341.371 0.416 20 30 ECEDLO N#Cc1ccc(N2C[C@@H]3CCN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)nn1 ZINC001040776428 783417457 /nfs/dbraw/zinc/41/74/57/783417457.db2.gz CHCWYISGKJJXKV-DZGCQCFKSA-N 1 2 337.387 0.672 20 30 ECEDLO C[C@H]1[C@@H](Nc2ccncc2C#N)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001040071004 783483787 /nfs/dbraw/zinc/48/37/87/783483787.db2.gz SKCDKXVQQGCFOK-DUVNUKRYSA-N 1 2 329.404 0.107 20 30 ECEDLO C[C@H]1[C@@H](Nc2ccncc2C#N)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001040071004 783483791 /nfs/dbraw/zinc/48/37/91/783483791.db2.gz SKCDKXVQQGCFOK-DUVNUKRYSA-N 1 2 329.404 0.107 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NC[C@@]1(O)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001040812208 783486903 /nfs/dbraw/zinc/48/69/03/783486903.db2.gz IDBVUBAJGSLOAU-MSOLQXFVSA-N 1 2 348.447 0.955 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NC[C@@]1(O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001040814683 783493763 /nfs/dbraw/zinc/49/37/63/783493763.db2.gz ZXVMYIOIRUQSGG-SJORKVTESA-N 1 2 334.420 0.565 20 30 ECEDLO C=CC(C)(C)C(=O)NCC1(NC(=O)Cc2c[nH+]cn2C)CCOCC1 ZINC001070174077 783596167 /nfs/dbraw/zinc/59/61/67/783596167.db2.gz WZHLXWHKNYKIPA-UHFFFAOYSA-N 1 2 348.447 0.956 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1COCCO1 ZINC001038056722 783802365 /nfs/dbraw/zinc/80/23/65/783802365.db2.gz DCTFMCUKAMJVIC-WBVHZDCISA-N 1 2 345.399 0.673 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1COCCO1 ZINC001038056722 783802372 /nfs/dbraw/zinc/80/23/72/783802372.db2.gz DCTFMCUKAMJVIC-WBVHZDCISA-N 1 2 345.399 0.673 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@@H+]2[C@@H]2CCN(C3CCC3)C2=O)c1 ZINC001038143732 783914849 /nfs/dbraw/zinc/91/48/49/783914849.db2.gz IENDHRJDQPKMSB-GOEBONIOSA-N 1 2 341.415 0.844 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@H+]2[C@@H]2CCN(C3CCC3)C2=O)c1 ZINC001038143732 783914853 /nfs/dbraw/zinc/91/48/53/783914853.db2.gz IENDHRJDQPKMSB-GOEBONIOSA-N 1 2 341.415 0.844 20 30 ECEDLO Cc1csc(=O)n1CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038173035 783948498 /nfs/dbraw/zinc/94/84/98/783948498.db2.gz LXQCRLFTIVBGGP-CYBMUJFWSA-N 1 2 345.428 0.922 20 30 ECEDLO Cc1csc(=O)n1CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038173035 783948505 /nfs/dbraw/zinc/94/85/05/783948505.db2.gz LXQCRLFTIVBGGP-CYBMUJFWSA-N 1 2 345.428 0.922 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)c2ccc(F)cn2)C1=O ZINC001038184949 783966340 /nfs/dbraw/zinc/96/63/40/783966340.db2.gz WNQAWXDDTUOCOG-UKRRQHHQSA-N 1 2 332.379 0.812 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)c2ccc(F)cn2)C1=O ZINC001038184949 783966343 /nfs/dbraw/zinc/96/63/43/783966343.db2.gz WNQAWXDDTUOCOG-UKRRQHHQSA-N 1 2 332.379 0.812 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@H](OC)C(C)C)C[C@H]2c1nnc(C)[nH]1 ZINC001070447359 784101222 /nfs/dbraw/zinc/10/12/22/784101222.db2.gz JBSNUOZYGLZVJU-LSDHHAIUSA-N 1 2 345.447 0.645 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccn(C)n2)C1 ZINC001070924802 784125926 /nfs/dbraw/zinc/12/59/26/784125926.db2.gz SUXCNBUJEZNDRW-CFVMTHIKSA-N 1 2 345.403 0.326 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccn(C)n2)C1 ZINC001070924802 784125932 /nfs/dbraw/zinc/12/59/32/784125932.db2.gz SUXCNBUJEZNDRW-CFVMTHIKSA-N 1 2 345.403 0.326 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001070932674 784147042 /nfs/dbraw/zinc/14/70/42/784147042.db2.gz BNXIFZVAFLEHLD-JKSUJKDBSA-N 1 2 346.431 0.809 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cccc(C)n2)CC1 ZINC001070939511 784168425 /nfs/dbraw/zinc/16/84/25/784168425.db2.gz OPHOTLZOLHYGJG-UHFFFAOYSA-N 1 2 328.416 0.677 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cccc(C)n2)CC1 ZINC001070939511 784168430 /nfs/dbraw/zinc/16/84/30/784168430.db2.gz OPHOTLZOLHYGJG-UHFFFAOYSA-N 1 2 328.416 0.677 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001070951433 784206039 /nfs/dbraw/zinc/20/60/39/784206039.db2.gz NCZDKLGXNIHIED-UHFFFAOYSA-N 1 2 329.404 0.727 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001070951433 784206046 /nfs/dbraw/zinc/20/60/46/784206046.db2.gz NCZDKLGXNIHIED-UHFFFAOYSA-N 1 2 329.404 0.727 20 30 ECEDLO C#CCN1CCNC(=O)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001070973931 784284966 /nfs/dbraw/zinc/28/49/66/784284966.db2.gz ZWOLPCOHACVSDW-UHFFFAOYSA-N 1 2 339.399 0.460 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(CCC)n[nH]2)CC1 ZINC001070983956 784321090 /nfs/dbraw/zinc/32/10/90/784321090.db2.gz NJUKIMJUFKHAJW-UHFFFAOYSA-N 1 2 333.436 0.812 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(CCC)n[nH]2)CC1 ZINC001070983956 784321101 /nfs/dbraw/zinc/32/11/01/784321101.db2.gz NJUKIMJUFKHAJW-UHFFFAOYSA-N 1 2 333.436 0.812 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2cc(C)on2)CC1 ZINC001070997652 784361551 /nfs/dbraw/zinc/36/15/51/784361551.db2.gz TZGQSGXHJCBDIV-UHFFFAOYSA-N 1 2 334.420 0.752 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCc2cc(C)on2)CC1 ZINC001070997652 784361561 /nfs/dbraw/zinc/36/15/61/784361561.db2.gz TZGQSGXHJCBDIV-UHFFFAOYSA-N 1 2 334.420 0.752 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2cncs2)CC1 ZINC001070999815 784368039 /nfs/dbraw/zinc/36/80/39/784368039.db2.gz BOKKRJXKZMDGRG-UHFFFAOYSA-N 1 2 336.461 0.912 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCc2cncs2)CC1 ZINC001070999815 784368045 /nfs/dbraw/zinc/36/80/45/784368045.db2.gz BOKKRJXKZMDGRG-UHFFFAOYSA-N 1 2 336.461 0.912 20 30 ECEDLO C=CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001070586745 784369669 /nfs/dbraw/zinc/36/96/69/784369669.db2.gz PWGCOGSKXGZKLM-ZIAGYGMSSA-N 1 2 348.451 0.465 20 30 ECEDLO C=CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC001070586745 784369678 /nfs/dbraw/zinc/36/96/78/784369678.db2.gz PWGCOGSKXGZKLM-ZIAGYGMSSA-N 1 2 348.451 0.465 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(COC)on2)CC1 ZINC001071007546 784392669 /nfs/dbraw/zinc/39/26/69/784392669.db2.gz QHHFPFHFUOZKKE-UHFFFAOYSA-N 1 2 348.403 0.108 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(COC)on2)CC1 ZINC001071007546 784392678 /nfs/dbraw/zinc/39/26/78/784392678.db2.gz QHHFPFHFUOZKKE-UHFFFAOYSA-N 1 2 348.403 0.108 20 30 ECEDLO CO[C@H]1C[C@@H](Cn2ccc(NC(=O)Cc3c[nH]c[nH+]3)n2)N(CC#N)C1 ZINC001070599124 784412321 /nfs/dbraw/zinc/41/23/21/784412321.db2.gz JAUSGGCQPNTPKB-KBPBESRZSA-N 1 2 343.391 0.400 20 30 ECEDLO CO[C@@H]1C[C@@H](Cn2ccc(NC(=O)Cc3[nH]cc[nH+]3)n2)N(CC#N)C1 ZINC001070605367 784425601 /nfs/dbraw/zinc/42/56/01/784425601.db2.gz KJQFYBJOJSDPDY-QWHCGFSZSA-N 1 2 343.391 0.400 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCc3c[nH]nc3C2)CC1 ZINC001071021809 784444087 /nfs/dbraw/zinc/44/40/87/784444087.db2.gz HKERFHSMLXDNRQ-AWEZNQCLSA-N 1 2 345.447 0.351 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCc3c[nH]nc3C2)CC1 ZINC001071021809 784444096 /nfs/dbraw/zinc/44/40/96/784444096.db2.gz HKERFHSMLXDNRQ-AWEZNQCLSA-N 1 2 345.447 0.351 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC2CCOCC2)C[C@H]1NCC#N ZINC001070631868 784465319 /nfs/dbraw/zinc/46/53/19/784465319.db2.gz RWVYOUUKNXCOIT-HUUCEWRRSA-N 1 2 331.420 0.644 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC[C@H]2CCOC2)C[C@H]1NCC#N ZINC001070635377 784469677 /nfs/dbraw/zinc/46/96/77/784469677.db2.gz GUBJRIXBRZAJMH-RRFJBIMHSA-N 1 2 331.420 0.644 20 30 ECEDLO Cc1cncc(CC(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)c1 ZINC001070672736 784529812 /nfs/dbraw/zinc/52/98/12/784529812.db2.gz BOTYSXNXLFGNQL-HZPDHXFCSA-N 1 2 338.415 0.774 20 30 ECEDLO Cc1ccoc1CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070688279 784553636 /nfs/dbraw/zinc/55/36/36/784553636.db2.gz XTSZMYRMYJYNFT-ZIAGYGMSSA-N 1 2 327.388 0.972 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@]2(C)CCCOC2)C[C@H]1NCC#N ZINC001070706396 784573455 /nfs/dbraw/zinc/57/34/55/784573455.db2.gz PDVIYUOFPURKOZ-CKEIUWERSA-N 1 2 331.420 0.644 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3cn[nH]c3)C2)C(=O)C1 ZINC001071253458 784844028 /nfs/dbraw/zinc/84/40/28/784844028.db2.gz MFSGRBDUKMYQNG-HNNXBMFYSA-N 1 2 329.404 0.182 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3cn[nH]c3)C2)C(=O)C1 ZINC001071253458 784844033 /nfs/dbraw/zinc/84/40/33/784844033.db2.gz MFSGRBDUKMYQNG-HNNXBMFYSA-N 1 2 329.404 0.182 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@@H](C)SC)C2)C(=O)C1 ZINC001071255321 784850163 /nfs/dbraw/zinc/85/01/63/784850163.db2.gz KZMQNCPUXQEJAU-CABCVRRESA-N 1 2 337.489 0.896 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@@H](C)SC)C2)C(=O)C1 ZINC001071255321 784850171 /nfs/dbraw/zinc/85/01/71/784850171.db2.gz KZMQNCPUXQEJAU-CABCVRRESA-N 1 2 337.489 0.896 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3cccn3C)C2)C(=O)C1 ZINC001071255401 784851526 /nfs/dbraw/zinc/85/15/26/784851526.db2.gz NIKDURUKGWRPBX-INIZCTEOSA-N 1 2 342.443 0.797 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3cccn3C)C2)C(=O)C1 ZINC001071255401 784851535 /nfs/dbraw/zinc/85/15/35/784851535.db2.gz NIKDURUKGWRPBX-INIZCTEOSA-N 1 2 342.443 0.797 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3cn(C)cn3)C2)C(=O)C1 ZINC001071260228 784870259 /nfs/dbraw/zinc/87/02/59/784870259.db2.gz LSQRHJBXRDDKIO-OAHLLOKOSA-N 1 2 343.431 0.192 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3cn(C)cn3)C2)C(=O)C1 ZINC001071260228 784870267 /nfs/dbraw/zinc/87/02/67/784870267.db2.gz LSQRHJBXRDDKIO-OAHLLOKOSA-N 1 2 343.431 0.192 20 30 ECEDLO C=CCN1CCN([C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C(=O)C1 ZINC001071264116 784882982 /nfs/dbraw/zinc/88/29/82/784882982.db2.gz NVJCSWJDSYXLLS-OAHLLOKOSA-N 1 2 345.447 0.664 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@@H](N3CC[N@@H+](CC)CC3=O)C2)nn1 ZINC001071275693 784916470 /nfs/dbraw/zinc/91/64/70/784916470.db2.gz NMFSDPITQAYZBX-CQSZACIVSA-N 1 2 346.435 0.233 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@@H](N3CC[N@H+](CC)CC3=O)C2)nn1 ZINC001071275693 784916473 /nfs/dbraw/zinc/91/64/73/784916473.db2.gz NMFSDPITQAYZBX-CQSZACIVSA-N 1 2 346.435 0.233 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3nocc3C)C2)C(=O)C1 ZINC001071276833 784920507 /nfs/dbraw/zinc/92/05/07/784920507.db2.gz CKGORPSJPBGDDC-HNNXBMFYSA-N 1 2 344.415 0.755 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3nocc3C)C2)C(=O)C1 ZINC001071276833 784920511 /nfs/dbraw/zinc/92/05/11/784920511.db2.gz CKGORPSJPBGDDC-HNNXBMFYSA-N 1 2 344.415 0.755 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3cnnn3C)C2)nn1 ZINC001071879749 785261838 /nfs/dbraw/zinc/26/18/38/785261838.db2.gz JTPNYJKEVQLHGG-QWHCGFSZSA-N 1 2 344.423 0.376 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3cnnn3C)C2)nn1 ZINC001071879749 785261844 /nfs/dbraw/zinc/26/18/44/785261844.db2.gz JTPNYJKEVQLHGG-QWHCGFSZSA-N 1 2 344.423 0.376 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(=O)N3CCC3)C2)nn1 ZINC001071879271 785261957 /nfs/dbraw/zinc/26/19/57/785261957.db2.gz AZLFWHLLYWZLFD-KBPBESRZSA-N 1 2 346.435 0.279 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(=O)N3CCC3)C2)nn1 ZINC001071879271 785261963 /nfs/dbraw/zinc/26/19/63/785261963.db2.gz AZLFWHLLYWZLFD-KBPBESRZSA-N 1 2 346.435 0.279 20 30 ECEDLO C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001071925572 785346733 /nfs/dbraw/zinc/34/67/33/785346733.db2.gz LTCOMDNJPBKLLU-FZMZJTMJSA-N 1 2 340.387 0.819 20 30 ECEDLO C=CCCOCC(=O)N[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC001071998133 785500654 /nfs/dbraw/zinc/50/06/54/785500654.db2.gz DAAVEFRYNQZHDR-UONOGXRCSA-N 1 2 334.420 0.898 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)CC[C@H]1C ZINC001072058920 785593429 /nfs/dbraw/zinc/59/34/29/785593429.db2.gz VGBSLUOMZCGCEZ-MNOVXSKESA-N 1 2 328.800 0.260 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CNC2=O)CC[C@H]1C ZINC001072058920 785593436 /nfs/dbraw/zinc/59/34/36/785593436.db2.gz VGBSLUOMZCGCEZ-MNOVXSKESA-N 1 2 328.800 0.260 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001072484587 786259978 /nfs/dbraw/zinc/25/99/78/786259978.db2.gz PYERFWDYSOWGFY-DOMZBBRYSA-N 1 2 332.404 0.264 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@H+](CC(=O)N(C)c1nccs1)C2 ZINC001072552872 786357248 /nfs/dbraw/zinc/35/72/48/786357248.db2.gz TXQKDMDGEXFNEO-GFCCVEGCSA-N 1 2 347.444 0.800 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](CC(=O)N(C)c1nccs1)C2 ZINC001072552872 786357255 /nfs/dbraw/zinc/35/72/55/786357255.db2.gz TXQKDMDGEXFNEO-GFCCVEGCSA-N 1 2 347.444 0.800 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001073518640 786454034 /nfs/dbraw/zinc/45/40/34/786454034.db2.gz UAWSRTXDCXHJIK-HIFRSBDPSA-N 1 2 346.431 0.734 20 30 ECEDLO Cn1c[nH+]cc1CN1CCO[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 ZINC001074239350 786484543 /nfs/dbraw/zinc/48/45/43/786484543.db2.gz YYEZCVCPUBEQKL-SJORKVTESA-N 1 2 328.416 0.635 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cccn4nnnc34)C[C@H]21 ZINC001074253307 786521896 /nfs/dbraw/zinc/52/18/96/786521896.db2.gz UPQFLIKOWZFUIE-CABCVRRESA-N 1 2 340.387 0.063 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccn4nnnc34)C[C@H]21 ZINC001074253307 786521903 /nfs/dbraw/zinc/52/19/03/786521903.db2.gz UPQFLIKOWZFUIE-CABCVRRESA-N 1 2 340.387 0.063 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCc3ccncn3)C[C@H]21 ZINC001074259298 786533630 /nfs/dbraw/zinc/53/36/30/786533630.db2.gz LEGGJUWIHUZYGV-SJORKVTESA-N 1 2 328.416 0.734 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCc3ccncn3)C[C@H]21 ZINC001074259298 786533638 /nfs/dbraw/zinc/53/36/38/786533638.db2.gz LEGGJUWIHUZYGV-SJORKVTESA-N 1 2 328.416 0.734 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3cn(C)nc3C)C[C@@H]21 ZINC001074266886 786547089 /nfs/dbraw/zinc/54/70/89/786547089.db2.gz SQYPVBNCQUWPMJ-IRXDYDNUSA-N 1 2 330.432 0.596 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3cn(C)nc3C)C[C@@H]21 ZINC001074266886 786547093 /nfs/dbraw/zinc/54/70/93/786547093.db2.gz SQYPVBNCQUWPMJ-IRXDYDNUSA-N 1 2 330.432 0.596 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C[C@@H]21 ZINC001074283358 786586659 /nfs/dbraw/zinc/58/66/59/786586659.db2.gz CFPILVXKXAJXJQ-HOTGVXAUSA-N 1 2 329.400 0.324 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C[C@@H]21 ZINC001074283358 786586663 /nfs/dbraw/zinc/58/66/63/786586663.db2.gz CFPILVXKXAJXJQ-HOTGVXAUSA-N 1 2 329.400 0.324 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccnc4n[nH]nc43)C[C@@H]21 ZINC001074291742 786608162 /nfs/dbraw/zinc/60/81/62/786608162.db2.gz JPSXPRJILCWLDE-UONOGXRCSA-N 1 2 340.387 0.292 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccnc4n[nH]nc43)C[C@@H]21 ZINC001074291742 786608167 /nfs/dbraw/zinc/60/81/67/786608167.db2.gz JPSXPRJILCWLDE-UONOGXRCSA-N 1 2 340.387 0.292 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3OCC[N@@H+](CCCO)[C@H]3C2)cc1 ZINC001074312324 786653560 /nfs/dbraw/zinc/65/35/60/786653560.db2.gz LRLXKPPSLLCZBY-ROUUACIJSA-N 1 2 328.412 0.966 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3OCC[N@H+](CCCO)[C@H]3C2)cc1 ZINC001074312324 786653569 /nfs/dbraw/zinc/65/35/69/786653569.db2.gz LRLXKPPSLLCZBY-ROUUACIJSA-N 1 2 328.412 0.966 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3c(C)nc[nH]c3=O)C[C@H]21 ZINC001074317739 786662464 /nfs/dbraw/zinc/66/24/64/786662464.db2.gz VFVFCMWCNGCPFX-KGLIPLIRSA-N 1 2 330.388 0.429 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3c(C)nc[nH]c3=O)C[C@H]21 ZINC001074317739 786662468 /nfs/dbraw/zinc/66/24/68/786662468.db2.gz VFVFCMWCNGCPFX-KGLIPLIRSA-N 1 2 330.388 0.429 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc(=O)n3C)C[C@H]21 ZINC001074335925 786699499 /nfs/dbraw/zinc/69/94/99/786699499.db2.gz HEVCQPPVCMWZQE-CVEARBPZSA-N 1 2 331.416 0.877 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc(=O)n3C)C[C@H]21 ZINC001074335925 786699507 /nfs/dbraw/zinc/69/95/07/786699507.db2.gz HEVCQPPVCMWZQE-CVEARBPZSA-N 1 2 331.416 0.877 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3nccn4ccnc34)C[C@H]21 ZINC001074341162 786711089 /nfs/dbraw/zinc/71/10/89/786711089.db2.gz QFCUYMWLAPRTPK-HUUCEWRRSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3nccn4ccnc34)C[C@H]21 ZINC001074341162 786711095 /nfs/dbraw/zinc/71/10/95/786711095.db2.gz QFCUYMWLAPRTPK-HUUCEWRRSA-N 1 2 339.399 0.668 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@H]3OCC[N@@H+](CCCO)[C@@H]3C2)nn1 ZINC001074353074 786736451 /nfs/dbraw/zinc/73/64/51/786736451.db2.gz BPJNKUSVWCRRJA-HZPDHXFCSA-N 1 2 349.435 0.152 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@H]3OCC[N@H+](CCCO)[C@@H]3C2)nn1 ZINC001074353074 786736455 /nfs/dbraw/zinc/73/64/55/786736455.db2.gz BPJNKUSVWCRRJA-HZPDHXFCSA-N 1 2 349.435 0.152 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C(C)C)nn3)C[C@@H]21 ZINC001074370477 786780814 /nfs/dbraw/zinc/78/08/14/786780814.db2.gz AUBVRZPQAKMQLH-JKSUJKDBSA-N 1 2 331.420 0.798 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C(C)C)nn3)C[C@@H]21 ZINC001074370477 786780822 /nfs/dbraw/zinc/78/08/22/786780822.db2.gz AUBVRZPQAKMQLH-JKSUJKDBSA-N 1 2 331.420 0.798 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3c4c(nn3C)CCC4)C[C@H]21 ZINC001074381878 786811088 /nfs/dbraw/zinc/81/10/88/786811088.db2.gz ARDTZISXSXIOAV-SJORKVTESA-N 1 2 342.443 0.847 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3c4c(nn3C)CCC4)C[C@H]21 ZINC001074381878 786811097 /nfs/dbraw/zinc/81/10/97/786811097.db2.gz ARDTZISXSXIOAV-SJORKVTESA-N 1 2 342.443 0.847 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3nc(C)ccc3=O)C[C@@H]21 ZINC001074387403 786826412 /nfs/dbraw/zinc/82/64/12/786826412.db2.gz KFJAAOAHWQHEAB-HOTGVXAUSA-N 1 2 346.431 0.430 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)Cn3nc(C)ccc3=O)C[C@@H]21 ZINC001074387403 786826421 /nfs/dbraw/zinc/82/64/21/786826421.db2.gz KFJAAOAHWQHEAB-HOTGVXAUSA-N 1 2 346.431 0.430 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 ZINC001074403157 786867686 /nfs/dbraw/zinc/86/76/86/786867686.db2.gz RCKQQSOBLALRIF-UONOGXRCSA-N 1 2 335.404 0.013 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 ZINC001074403157 786867693 /nfs/dbraw/zinc/86/76/93/786867693.db2.gz RCKQQSOBLALRIF-UONOGXRCSA-N 1 2 335.404 0.013 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cncnc3CC)C[C@@H]21 ZINC001074408326 786889921 /nfs/dbraw/zinc/88/99/21/786889921.db2.gz UOGVXNPGWVIXGH-IRXDYDNUSA-N 1 2 328.416 0.978 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cncnc3CC)C[C@@H]21 ZINC001074408326 786889926 /nfs/dbraw/zinc/88/99/26/786889926.db2.gz UOGVXNPGWVIXGH-IRXDYDNUSA-N 1 2 328.416 0.978 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2COCCN2CC)C1 ZINC001073670327 786923146 /nfs/dbraw/zinc/92/31/46/786923146.db2.gz GQTPCHGHRYINAE-CABCVRRESA-N 1 2 345.871 0.667 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2COCCN2CC)C1 ZINC001073670327 786923151 /nfs/dbraw/zinc/92/31/51/786923151.db2.gz GQTPCHGHRYINAE-CABCVRRESA-N 1 2 345.871 0.667 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001073729398 787074143 /nfs/dbraw/zinc/07/41/43/787074143.db2.gz KREMSSXDKFLWBV-LLVKDONJSA-N 1 2 328.800 0.699 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001073729398 787074147 /nfs/dbraw/zinc/07/41/47/787074147.db2.gz KREMSSXDKFLWBV-LLVKDONJSA-N 1 2 328.800 0.699 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1NC(=O)CSCC#N ZINC001073743741 787104319 /nfs/dbraw/zinc/10/43/19/787104319.db2.gz CWUIMAZXKXWXJH-JSGCOSHPSA-N 1 2 349.460 0.952 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1NC(=O)CSCC#N ZINC001073743741 787104323 /nfs/dbraw/zinc/10/43/23/787104323.db2.gz CWUIMAZXKXWXJH-JSGCOSHPSA-N 1 2 349.460 0.952 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1NC(=O)CSCC#N ZINC001073743740 787104587 /nfs/dbraw/zinc/10/45/87/787104587.db2.gz CWUIMAZXKXWXJH-GXTWGEPZSA-N 1 2 349.460 0.952 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1NC(=O)CSCC#N ZINC001073743740 787104592 /nfs/dbraw/zinc/10/45/92/787104592.db2.gz CWUIMAZXKXWXJH-GXTWGEPZSA-N 1 2 349.460 0.952 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001073748553 787121708 /nfs/dbraw/zinc/12/17/08/787121708.db2.gz GWMUTSDDPDRTGU-NSHDSACASA-N 1 2 326.784 0.343 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001073748553 787121713 /nfs/dbraw/zinc/12/17/13/787121713.db2.gz GWMUTSDDPDRTGU-NSHDSACASA-N 1 2 326.784 0.343 20 30 ECEDLO C=CCCC(=O)N1CCC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001074511516 787131346 /nfs/dbraw/zinc/13/13/46/787131346.db2.gz LNGKILGSWSCPGP-ZIAGYGMSSA-N 1 2 346.431 0.949 20 30 ECEDLO C=CCCC(=O)N1CCC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001074511516 787131351 /nfs/dbraw/zinc/13/13/51/787131351.db2.gz LNGKILGSWSCPGP-ZIAGYGMSSA-N 1 2 346.431 0.949 20 30 ECEDLO C#CCCCC(=O)N1CCC(O)(CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001074565635 787272199 /nfs/dbraw/zinc/27/21/99/787272199.db2.gz OSOJUSROXZUYFE-UHFFFAOYSA-N 1 2 346.431 0.616 20 30 ECEDLO O=C(C#CC1CC1)N1CCC(O)(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001074582245 787323774 /nfs/dbraw/zinc/32/37/74/787323774.db2.gz MSCWMMCAHUIGEH-UHFFFAOYSA-N 1 2 344.415 0.156 20 30 ECEDLO N#CCN1CCCO[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001073857079 787375704 /nfs/dbraw/zinc/37/57/04/787375704.db2.gz YRYFBHPDQVABQO-OAHLLOKOSA-N 1 2 340.387 0.612 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)CC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001073921737 787530102 /nfs/dbraw/zinc/53/01/02/787530102.db2.gz QUFYQCMAJJFPCC-CHWSQXEVSA-N 1 2 349.460 0.952 20 30 ECEDLO C#CCCCCC(=O)NCC1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001074692596 787615789 /nfs/dbraw/zinc/61/57/89/787615789.db2.gz LRRDUFZEDGWRPX-UHFFFAOYSA-N 1 2 346.431 0.616 20 30 ECEDLO C=CCCOCC(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001074034032 787730592 /nfs/dbraw/zinc/73/05/92/787730592.db2.gz UJPXOYOBTMEVDY-LSDHHAIUSA-N 1 2 334.420 0.829 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001074150593 787947972 /nfs/dbraw/zinc/94/79/72/787947972.db2.gz ZLJMOCJQECRQPQ-KBPBESRZSA-N 1 2 332.404 0.345 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@@H+]1CCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001072595226 788391846 /nfs/dbraw/zinc/39/18/46/788391846.db2.gz IHJSZGUEHZVEKZ-NSHDSACASA-N 1 2 340.391 0.319 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@H+]1CCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001072595226 788391859 /nfs/dbraw/zinc/39/18/59/788391859.db2.gz IHJSZGUEHZVEKZ-NSHDSACASA-N 1 2 340.391 0.319 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)CSCC#N)CCN1C(=O)Cn1cc[nH+]c1 ZINC001074843299 788418174 /nfs/dbraw/zinc/41/81/74/788418174.db2.gz LMAOUYYLMDCTLP-CHWSQXEVSA-N 1 2 335.433 0.636 20 30 ECEDLO C[C@H](c1nnnn1C)[N@@H+]1CCC2(CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001072635843 788476783 /nfs/dbraw/zinc/47/67/83/788476783.db2.gz XRFBRSIPAVMNPC-LLVKDONJSA-N 1 2 340.391 0.319 20 30 ECEDLO C[C@H](c1nnnn1C)[N@H+]1CCC2(CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001072635843 788476790 /nfs/dbraw/zinc/47/67/90/788476790.db2.gz XRFBRSIPAVMNPC-LLVKDONJSA-N 1 2 340.391 0.319 20 30 ECEDLO CCn1cc(C[N@@H+]2CCC3(CN(C(=O)c4c[nH]c(C#N)c4)C3)C2)nn1 ZINC001072644866 788493137 /nfs/dbraw/zinc/49/31/37/788493137.db2.gz RKKMRQKPVMYMHP-UHFFFAOYSA-N 1 2 339.403 0.846 20 30 ECEDLO CCn1cc(C[N@H+]2CCC3(CN(C(=O)c4c[nH]c(C#N)c4)C3)C2)nn1 ZINC001072644866 788493139 /nfs/dbraw/zinc/49/31/39/788493139.db2.gz RKKMRQKPVMYMHP-UHFFFAOYSA-N 1 2 339.403 0.846 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001074891902 788498637 /nfs/dbraw/zinc/49/86/37/788498637.db2.gz MCDRPAAVRUXORI-KGLIPLIRSA-N 1 2 334.420 0.661 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC001074991781 788680764 /nfs/dbraw/zinc/68/07/64/788680764.db2.gz YJSOPCRFMDYZOQ-DZGCQCFKSA-N 1 2 346.431 0.796 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001075211712 789068969 /nfs/dbraw/zinc/06/89/69/789068969.db2.gz ZVUHAVHNFVGAGB-ZIAGYGMSSA-N 1 2 332.404 0.488 20 30 ECEDLO N#CCN[C@H]1CCO[C@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001075397916 789324835 /nfs/dbraw/zinc/32/48/35/789324835.db2.gz UGFQTNCLFUFLAG-HOTGVXAUSA-N 1 2 331.420 0.782 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1cnn(C)n1)C2 ZINC001073051141 789349333 /nfs/dbraw/zinc/34/93/33/789349333.db2.gz PLUDFHFMUPJIEN-HOTGVXAUSA-N 1 2 345.447 0.831 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1cnn(C)n1)C2 ZINC001073051141 789349340 /nfs/dbraw/zinc/34/93/40/789349340.db2.gz PLUDFHFMUPJIEN-HOTGVXAUSA-N 1 2 345.447 0.831 20 30 ECEDLO C#CCOCCC(=O)NC1(C)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001073164873 789557034 /nfs/dbraw/zinc/55/70/34/789557034.db2.gz MLISNIHTLOAMQZ-UHFFFAOYSA-N 1 2 346.431 0.500 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3cc(=O)n4[nH]ccc4n3)C[C@H]21 ZINC001075620744 789580829 /nfs/dbraw/zinc/58/08/29/789580829.db2.gz BBMGALWDRRTJHD-SGMGOOAPSA-N 1 2 340.387 0.215 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(=O)n4[nH]ccc4n3)C[C@H]21 ZINC001075620744 789580837 /nfs/dbraw/zinc/58/08/37/789580837.db2.gz BBMGALWDRRTJHD-SGMGOOAPSA-N 1 2 340.387 0.215 20 30 ECEDLO C[C@H]1C[C@H](Nc2ccnc(C#N)n2)CN1C(=O)CCc1[nH+]ccn1C ZINC001069243773 789696864 /nfs/dbraw/zinc/69/68/64/789696864.db2.gz XYSCSBWDOAIXKT-STQMWFEESA-N 1 2 339.403 0.538 20 30 ECEDLO N#Cc1nccnc1N1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC001069268349 789719452 /nfs/dbraw/zinc/71/94/52/789719452.db2.gz FFRYNVLVRHDSMB-YOEHRIQHSA-N 1 2 337.387 0.863 20 30 ECEDLO N#Cc1cnc(NC[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001069476149 789851110 /nfs/dbraw/zinc/85/11/10/789851110.db2.gz QRPUZNMHZUHIBS-QWHCGFSZSA-N 1 2 325.376 0.942 20 30 ECEDLO N#CCN1CCn2ncc(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)c2C1 ZINC001069866079 790123581 /nfs/dbraw/zinc/12/35/81/790123581.db2.gz XECQRZIHTXBXCI-CYBMUJFWSA-N 1 2 339.403 0.298 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3cc(C(N)=O)co3)c2C1 ZINC001069873212 790135147 /nfs/dbraw/zinc/13/51/47/790135147.db2.gz VPTMSGNLLQALQC-UHFFFAOYSA-N 1 2 343.387 0.897 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3cc(C(N)=O)co3)c2C1 ZINC001069873212 790135150 /nfs/dbraw/zinc/13/51/50/790135150.db2.gz VPTMSGNLLQALQC-UHFFFAOYSA-N 1 2 343.387 0.897 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2O)[C@@H](n2ccnn2)C1 ZINC001069897184 790164768 /nfs/dbraw/zinc/16/47/68/790164768.db2.gz DFYLBONJGKDGCJ-CABCVRRESA-N 1 2 325.372 0.662 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2O)[C@@H](n2ccnn2)C1 ZINC001069897184 790164770 /nfs/dbraw/zinc/16/47/70/790164770.db2.gz DFYLBONJGKDGCJ-CABCVRRESA-N 1 2 325.372 0.662 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3n2CCC3)[C@@H](n2ccnn2)C1 ZINC001069949233 790229027 /nfs/dbraw/zinc/22/90/27/790229027.db2.gz LVTHHRZHPSNZPI-HIFRSBDPSA-N 1 2 339.403 0.099 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnc3n2CCC3)[C@@H](n2ccnn2)C1 ZINC001069949233 790229031 /nfs/dbraw/zinc/22/90/31/790229031.db2.gz LVTHHRZHPSNZPI-HIFRSBDPSA-N 1 2 339.403 0.099 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001068836565 791228703 /nfs/dbraw/zinc/22/87/03/791228703.db2.gz JATWGNIBENPZJG-AWEZNQCLSA-N 1 2 344.415 0.252 20 30 ECEDLO C=C(C)CCC(=O)N[C@H]1COC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001068891582 791353867 /nfs/dbraw/zinc/35/38/67/791353867.db2.gz PYJZOOOJVZMGLD-CQSZACIVSA-N 1 2 332.404 0.795 20 30 ECEDLO C=CCO[C@H](C)C(=O)N[C@@H]1COC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001068910050 791396950 /nfs/dbraw/zinc/39/69/50/791396950.db2.gz DDIVPFCMHYUITE-OLZOCXBDSA-N 1 2 348.403 0.029 20 30 ECEDLO C=CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)Cn1cc[nH+]c1)CO2 ZINC001068915917 791411991 /nfs/dbraw/zinc/41/19/91/791411991.db2.gz NZMJBXLJPWMBAD-AWEZNQCLSA-N 1 2 332.404 0.726 20 30 ECEDLO C=C(C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)Cc1[nH]cc[nH+]1)CO2 ZINC001068984634 791550391 /nfs/dbraw/zinc/55/03/91/791550391.db2.gz UKBDERCRINWZIF-ZDUSSCGKSA-N 1 2 332.404 0.795 20 30 ECEDLO C[C@H]1C[C@@H](Nc2ccnc(C#N)n2)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001069080709 791685481 /nfs/dbraw/zinc/68/54/81/791685481.db2.gz XRLZAQRAVCFUEQ-NWDGAFQWSA-N 1 2 325.376 0.527 20 30 ECEDLO C[C@@H]1C[C@H](Nc2ccnc(C#N)n2)CN1C(=O)Cc1c[nH+]cn1C ZINC001069122483 791723056 /nfs/dbraw/zinc/72/30/56/791723056.db2.gz UDIUXNGPUFBFEU-NEPJUHHUSA-N 1 2 325.376 0.148 20 30 ECEDLO CO[C@@H](C)C(=O)N1CC[C@@H]([NH+]2CCN(c3ncccc3C#N)CC2)C1 ZINC001066697730 792013482 /nfs/dbraw/zinc/01/34/82/792013482.db2.gz BNUMNDOYWKHAIF-GOEBONIOSA-N 1 2 343.431 0.711 20 30 ECEDLO CO[C@@H](C)C(=O)N1CC[C@@H]([NH+]2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001066698080 792017653 /nfs/dbraw/zinc/01/76/53/792017653.db2.gz IHBDJTQOALZGHL-DZGCQCFKSA-N 1 2 344.419 0.106 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(c3ncccc3C#N)CC2)C1 ZINC001066698743 792019478 /nfs/dbraw/zinc/01/94/78/792019478.db2.gz OCFNKPQBVLRZCA-GOEBONIOSA-N 1 2 338.415 0.836 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)CCCN(C)C(=O)Cn2cc[nH+]c2)nc1 ZINC001067716517 792178573 /nfs/dbraw/zinc/17/85/73/792178573.db2.gz WPFBDQCGWOEKOK-UHFFFAOYSA-N 1 2 339.399 0.880 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1)c1cnc(C#N)cn1 ZINC001067772621 792262044 /nfs/dbraw/zinc/26/20/44/792262044.db2.gz YCDMHQSIECYMHA-ZDUSSCGKSA-N 1 2 325.376 0.741 20 30 ECEDLO N#Cc1cccnc1N[C@@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001066908908 792351618 /nfs/dbraw/zinc/35/16/18/792351618.db2.gz LFDLJXULTPTVFL-KRWDZBQOSA-N 1 2 340.387 0.615 20 30 ECEDLO N#Cc1ccc(N[C@@]2(CO)CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC001066909910 792357278 /nfs/dbraw/zinc/35/72/78/792357278.db2.gz ABWWAPQPASJJJV-KRWDZBQOSA-N 1 2 340.387 0.684 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC1CC(CNc2cncc(C#N)n2)C1 ZINC001067860217 792386756 /nfs/dbraw/zinc/38/67/56/792386756.db2.gz RTWUHUQAPLDFMV-UHFFFAOYSA-N 1 2 325.376 0.929 20 30 ECEDLO C[C@H]1CCN(c2cnc(C#N)cn2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067966479 792520144 /nfs/dbraw/zinc/52/01/44/792520144.db2.gz XNWFJCKFZMWLGR-GXTWGEPZSA-N 1 2 325.376 0.576 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1Nc1ccnc(C#N)n1 ZINC001067083893 792681999 /nfs/dbraw/zinc/68/19/99/792681999.db2.gz HZTKBIRKBXIUHU-NEPJUHHUSA-N 1 2 325.376 0.385 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1Nc1ccc(C#N)nn1 ZINC001067084830 792683305 /nfs/dbraw/zinc/68/33/05/792683305.db2.gz QKKQEWJGFKOAEI-YPMHNXCESA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1Nc1ccc(C#N)nn1 ZINC001067129540 792731698 /nfs/dbraw/zinc/73/16/98/792731698.db2.gz XIMAYCJELYQUHF-SWLSCSKDSA-N 1 2 339.403 0.973 20 30 ECEDLO CN(CCCN(C)C(=O)c1ccc(C#N)[nH]1)C(=O)Cc1[nH]cc[nH+]1 ZINC001067211126 792825960 /nfs/dbraw/zinc/82/59/60/792825960.db2.gz DPUNCOTWOKPMHH-UHFFFAOYSA-N 1 2 328.376 0.773 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1Nc1cncc(C#N)n1 ZINC001067220440 792837527 /nfs/dbraw/zinc/83/75/27/792837527.db2.gz WZEQBFMXYCKCGN-FZMZJTMJSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1Nc1cncc(C#N)n1 ZINC001067220440 792837535 /nfs/dbraw/zinc/83/75/35/792837535.db2.gz WZEQBFMXYCKCGN-FZMZJTMJSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@H](Nc1ccncc1C#N)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001068236466 792896056 /nfs/dbraw/zinc/89/60/56/792896056.db2.gz IQIQYIDECRBGMG-WFASDCNBSA-N 1 2 340.387 0.369 20 30 ECEDLO C[C@H]1C[C@H](CNc2ccnc(C#N)n2)CN1C(=O)Cn1cc[nH+]c1 ZINC001068334863 793069831 /nfs/dbraw/zinc/06/98/31/793069831.db2.gz CWIURTHUNCWNGV-QWHCGFSZSA-N 1 2 325.376 0.316 20 30 ECEDLO C[C@@H]1C[C@@H](CNc2ccnc(C#N)n2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001068376633 793152143 /nfs/dbraw/zinc/15/21/43/793152143.db2.gz XWBFZZUZDYTVRG-NEPJUHHUSA-N 1 2 325.376 0.385 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC2(C1)CN(C(=O)Cn1cc[nH+]c1)CCO2 ZINC001068409828 793253457 /nfs/dbraw/zinc/25/34/57/793253457.db2.gz WMQVDLLXNFNABB-CABCVRRESA-N 1 2 346.431 0.781 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCOC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001068436748 793312121 /nfs/dbraw/zinc/31/21/21/793312121.db2.gz QYSUWPLNNJNYGA-ZIAGYGMSSA-N 1 2 346.431 0.850 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCOC2(CN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001068450542 793332305 /nfs/dbraw/zinc/33/23/05/793332305.db2.gz SFIBKKBXIUVNQZ-CQSZACIVSA-N 1 2 345.403 0.263 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)c2ccnn2C)C1 ZINC001267449660 837436856 /nfs/dbraw/zinc/43/68/56/837436856.db2.gz DADZRZXYEVYLOY-AWEZNQCLSA-N 1 2 331.420 0.096 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccnn2C)C1 ZINC001267449660 837436859 /nfs/dbraw/zinc/43/68/59/837436859.db2.gz DADZRZXYEVYLOY-AWEZNQCLSA-N 1 2 331.420 0.096 20 30 ECEDLO CC(C)C#CC(=O)N(C)CC[NH+]1CCN([C@@H](C)c2nncn2C)CC1 ZINC001267572712 837812711 /nfs/dbraw/zinc/81/27/11/837812711.db2.gz URSVTCFSPVKLMQ-INIZCTEOSA-N 1 2 346.479 0.612 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)c1cnc(C2CC2)nc1 ZINC001267575970 837828131 /nfs/dbraw/zinc/82/81/31/837828131.db2.gz OYTDBKYPPAOVOR-UHFFFAOYSA-N 1 2 328.420 0.567 20 30 ECEDLO CC#CC[NH+]1CCN(CCCNC(=O)c2noc3c2COCC3)CC1 ZINC001266277523 835603447 /nfs/dbraw/zinc/60/34/47/835603447.db2.gz FCHPNUOTQXUKEU-UHFFFAOYSA-N 1 2 346.431 0.508 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(CCNC(=O)/C(C)=C/CC)CC1 ZINC001266281355 835610344 /nfs/dbraw/zinc/61/03/44/835610344.db2.gz MIMRPUTWOJQBPQ-NHKNYXOTSA-N 1 2 334.464 0.214 20 30 ECEDLO CC#CCCCC(=O)NCC[NH+]1CCN(Cc2cnsn2)CC1 ZINC001266290269 835634132 /nfs/dbraw/zinc/63/41/32/835634132.db2.gz SVBHTNNDXLYAPC-UHFFFAOYSA-N 1 2 335.477 0.966 20 30 ECEDLO CC#CCN1CC[NH+](CCNC(=O)CCc2ccc(=O)[nH]c2)CC1 ZINC001266290094 835634296 /nfs/dbraw/zinc/63/42/96/835634296.db2.gz NDNTVPVGRHSAGX-UHFFFAOYSA-N 1 2 330.432 0.477 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2c(C)nn(C)c2C)C1 ZINC001266333433 835716514 /nfs/dbraw/zinc/71/65/14/835716514.db2.gz MYQDBRKXZQDMIW-CQSZACIVSA-N 1 2 333.436 0.072 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2c(C)nn(C)c2C)C1 ZINC001266333433 835716521 /nfs/dbraw/zinc/71/65/21/835716521.db2.gz MYQDBRKXZQDMIW-CQSZACIVSA-N 1 2 333.436 0.072 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2n[nH]cc2F)C1 ZINC001266342134 835728654 /nfs/dbraw/zinc/72/86/54/835728654.db2.gz PDYCOGYTDVGOHI-GFCCVEGCSA-N 1 2 337.399 0.778 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2n[nH]cc2F)C1 ZINC001266342134 835728660 /nfs/dbraw/zinc/72/86/60/835728660.db2.gz PDYCOGYTDVGOHI-GFCCVEGCSA-N 1 2 337.399 0.778 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2c(C)noc2Cl)C1 ZINC001266347690 835740467 /nfs/dbraw/zinc/74/04/67/835740467.db2.gz REDLVUBZFNXSOP-NSHDSACASA-N 1 2 338.795 0.119 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2c(C)noc2Cl)C1 ZINC001266347690 835740475 /nfs/dbraw/zinc/74/04/75/835740475.db2.gz REDLVUBZFNXSOP-NSHDSACASA-N 1 2 338.795 0.119 20 30 ECEDLO CC(C)(CC(F)(F)F)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001266349519 835744602 /nfs/dbraw/zinc/74/46/02/835744602.db2.gz IIRZLUOHCKXOOH-JTQLQIEISA-N 1 2 334.342 0.795 20 30 ECEDLO CC(C)(CC(F)(F)F)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001266349519 835744610 /nfs/dbraw/zinc/74/46/10/835744610.db2.gz IIRZLUOHCKXOOH-JTQLQIEISA-N 1 2 334.342 0.795 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCOc2ccccc2)C1 ZINC001266356072 835760647 /nfs/dbraw/zinc/76/06/47/835760647.db2.gz PQWOQKZKRXPNID-MRXNPFEDSA-N 1 2 343.427 0.786 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCOc2ccccc2)C1 ZINC001266356072 835760653 /nfs/dbraw/zinc/76/06/53/835760653.db2.gz PQWOQKZKRXPNID-MRXNPFEDSA-N 1 2 343.427 0.786 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1nc(N(C)C)no1)C1CC1 ZINC001266431409 835835803 /nfs/dbraw/zinc/83/58/03/835835803.db2.gz OIWGROLNZJPSRF-MCIONIFRSA-N 1 2 349.435 0.711 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(C2CC2)CC1 ZINC001266467853 835868565 /nfs/dbraw/zinc/86/85/65/835868565.db2.gz FKTSDARPMJLXQE-CQSZACIVSA-N 1 2 348.447 0.769 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C1(C2CC2)CC1 ZINC001266467853 835868573 /nfs/dbraw/zinc/86/85/73/835868573.db2.gz FKTSDARPMJLXQE-CQSZACIVSA-N 1 2 348.447 0.769 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)SC ZINC001266484172 835884003 /nfs/dbraw/zinc/88/40/03/835884003.db2.gz QZGLRIOPOQLGJV-LJISPDSOSA-N 1 2 337.489 0.941 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)SC ZINC001266484172 835884006 /nfs/dbraw/zinc/88/40/06/835884006.db2.gz QZGLRIOPOQLGJV-LJISPDSOSA-N 1 2 337.489 0.941 20 30 ECEDLO C[C@@H](c1nnnn1C1CC1)[N@@H+]1CC[C@H](CNC(=O)CSCC#N)C1 ZINC001266499434 835900843 /nfs/dbraw/zinc/90/08/43/835900843.db2.gz ARAZCWYUJPSAFW-NWDGAFQWSA-N 1 2 349.464 0.764 20 30 ECEDLO C[C@@H](c1nnnn1C1CC1)[N@H+]1CC[C@H](CNC(=O)CSCC#N)C1 ZINC001266499434 835900854 /nfs/dbraw/zinc/90/08/54/835900854.db2.gz ARAZCWYUJPSAFW-NWDGAFQWSA-N 1 2 349.464 0.764 20 30 ECEDLO C=CCOCC(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2ccon2)C1 ZINC001266744166 836228955 /nfs/dbraw/zinc/22/89/55/836228955.db2.gz WLOFNXMSMHRLER-ZDUSSCGKSA-N 1 2 336.392 0.644 20 30 ECEDLO C=CCOCC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC001266744166 836228970 /nfs/dbraw/zinc/22/89/70/836228970.db2.gz WLOFNXMSMHRLER-ZDUSSCGKSA-N 1 2 336.392 0.644 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+](Cc2nn(CC)nc2C)C1 ZINC001266750597 836240125 /nfs/dbraw/zinc/24/01/25/836240125.db2.gz ZHUUVQYLTQMCTC-JKSUJKDBSA-N 1 2 347.463 0.973 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CCC[N@H+](Cc2nn(CC)nc2C)C1 ZINC001266750597 836240132 /nfs/dbraw/zinc/24/01/32/836240132.db2.gz ZHUUVQYLTQMCTC-JKSUJKDBSA-N 1 2 347.463 0.973 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)c2nnnn2C)C1 ZINC001266750346 836240707 /nfs/dbraw/zinc/24/07/07/836240707.db2.gz VFAZKKURCKMLHH-KGLIPLIRSA-N 1 2 334.424 0.139 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)c2nnnn2C)C1 ZINC001266750346 836240716 /nfs/dbraw/zinc/24/07/16/836240716.db2.gz VFAZKKURCKMLHH-KGLIPLIRSA-N 1 2 334.424 0.139 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC001267024535 836642418 /nfs/dbraw/zinc/64/24/18/836642418.db2.gz GHMADBXCVUHAOD-OLZOCXBDSA-N 1 2 339.399 0.505 20 30 ECEDLO C=CC(C)(C)C(=O)NCC[N@@H+](C)CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC001267211503 836999304 /nfs/dbraw/zinc/99/93/04/836999304.db2.gz FXUWBVLMNKGLJX-ZIAGYGMSSA-N 1 2 325.453 0.882 20 30 ECEDLO C=CC(C)(C)C(=O)NCC[N@H+](C)CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC001267211503 836999306 /nfs/dbraw/zinc/99/93/06/836999306.db2.gz FXUWBVLMNKGLJX-ZIAGYGMSSA-N 1 2 325.453 0.882 20 30 ECEDLO CC(C)Cc1nc(C(=O)NCC[N@H+](C)CC(=O)NCC#N)cs1 ZINC001267233268 837038593 /nfs/dbraw/zinc/03/85/93/837038593.db2.gz KWNDUYGRSOUAOT-UHFFFAOYSA-N 1 2 337.449 0.643 20 30 ECEDLO CC(C)Cc1nc(C(=O)NCC[N@@H+](C)CC(=O)NCC#N)cs1 ZINC001267233268 837038604 /nfs/dbraw/zinc/03/86/04/837038604.db2.gz KWNDUYGRSOUAOT-UHFFFAOYSA-N 1 2 337.449 0.643 20 30 ECEDLO CC[N@H+](CCNC(=O)C#CC(C)C)[C@@H](C)C(=O)Nc1ncccn1 ZINC001267241325 837048764 /nfs/dbraw/zinc/04/87/64/837048764.db2.gz SHLFOFZWIBSLST-AWEZNQCLSA-N 1 2 331.420 0.901 20 30 ECEDLO CC[N@@H+](CCNC(=O)C#CC(C)C)[C@@H](C)C(=O)Nc1ncccn1 ZINC001267241325 837048779 /nfs/dbraw/zinc/04/87/79/837048779.db2.gz SHLFOFZWIBSLST-AWEZNQCLSA-N 1 2 331.420 0.901 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccncc1Cl ZINC001267276297 837120420 /nfs/dbraw/zinc/12/04/20/837120420.db2.gz PDCYMZPBNAUNON-GFCCVEGCSA-N 1 2 334.807 0.679 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccncc1Cl ZINC001267276297 837120424 /nfs/dbraw/zinc/12/04/24/837120424.db2.gz PDCYMZPBNAUNON-GFCCVEGCSA-N 1 2 334.807 0.679 20 30 ECEDLO Cc1c(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NCC#N)cnn1C(C)C ZINC001267280531 837128069 /nfs/dbraw/zinc/12/80/69/837128069.db2.gz UEYXGLGKNAPVFW-CQSZACIVSA-N 1 2 346.435 0.606 20 30 ECEDLO Cc1c(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NCC#N)cnn1C(C)C ZINC001267280531 837128071 /nfs/dbraw/zinc/12/80/71/837128071.db2.gz UEYXGLGKNAPVFW-CQSZACIVSA-N 1 2 346.435 0.606 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC(C)(C)C ZINC001267405463 837375836 /nfs/dbraw/zinc/37/58/36/837375836.db2.gz MCWIBEGNBLKPKH-SOUVJXGZSA-N 1 2 335.448 0.615 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC(C)(C)C ZINC001267405463 837375845 /nfs/dbraw/zinc/37/58/45/837375845.db2.gz MCWIBEGNBLKPKH-SOUVJXGZSA-N 1 2 335.448 0.615 20 30 ECEDLO COCC#CCN1CC[NH+](CCN(C)C(=O)[C@@H](C)n2cccn2)CC1 ZINC001267605961 837944522 /nfs/dbraw/zinc/94/45/22/837944522.db2.gz JDIRYXSXXOGKHU-QGZVFWFLSA-N 1 2 347.463 0.170 20 30 ECEDLO Cc1noc([C@H](C)N2CC[NH+](CCN(C)C(=O)C#CC3CC3)CC2)n1 ZINC001267607315 837949565 /nfs/dbraw/zinc/94/95/65/837949565.db2.gz DMBQPVMCISHGGH-AWEZNQCLSA-N 1 2 345.447 0.928 20 30 ECEDLO CCc1nnc(CN2CC[NH+](CCN(C)C(=O)C#CC(C)C)CC2)o1 ZINC001267607582 837951691 /nfs/dbraw/zinc/95/16/91/837951691.db2.gz NIJWXZZDQCCBJS-UHFFFAOYSA-N 1 2 347.463 0.867 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001267625994 838071536 /nfs/dbraw/zinc/07/15/36/838071536.db2.gz KAGIVUXCTVZHGX-FXUDXRNXSA-N 1 2 330.432 0.809 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001267625994 838071545 /nfs/dbraw/zinc/07/15/45/838071545.db2.gz KAGIVUXCTVZHGX-FXUDXRNXSA-N 1 2 330.432 0.809 20 30 ECEDLO CC#CCCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(=O)NCC)C1 ZINC001267629253 838083132 /nfs/dbraw/zinc/08/31/32/838083132.db2.gz PKXGVKPBSIVNAC-AWEZNQCLSA-N 1 2 336.436 0.606 20 30 ECEDLO CC#CCCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC(=O)NCC)C1 ZINC001267629253 838083143 /nfs/dbraw/zinc/08/31/43/838083143.db2.gz PKXGVKPBSIVNAC-AWEZNQCLSA-N 1 2 336.436 0.606 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)c2coc(C(N)=O)c2)C1 ZINC001267628737 838085832 /nfs/dbraw/zinc/08/58/32/838085832.db2.gz JICSYJMNFACGLL-YPMHNXCESA-N 1 2 348.403 0.263 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2coc(C(N)=O)c2)C1 ZINC001267628737 838085843 /nfs/dbraw/zinc/08/58/43/838085843.db2.gz JICSYJMNFACGLL-YPMHNXCESA-N 1 2 348.403 0.263 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)Cc2ccc(OC)cc2)C1 ZINC001267634410 838101532 /nfs/dbraw/zinc/10/15/32/838101532.db2.gz WTCJEEUPROPGLN-INIZCTEOSA-N 1 2 343.427 0.568 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(OC)cc2)C1 ZINC001267634410 838101538 /nfs/dbraw/zinc/10/15/38/838101538.db2.gz WTCJEEUPROPGLN-INIZCTEOSA-N 1 2 343.427 0.568 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCCc2nc(C)no2)C1 ZINC001267634470 838101782 /nfs/dbraw/zinc/10/17/82/838101782.db2.gz ZZJJXCBKETVZTH-AWEZNQCLSA-N 1 2 349.435 0.584 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCCc2nc(C)no2)C1 ZINC001267634470 838101785 /nfs/dbraw/zinc/10/17/85/838101785.db2.gz ZZJJXCBKETVZTH-AWEZNQCLSA-N 1 2 349.435 0.584 20 30 ECEDLO C#CCCCC(=O)N1CC[C@H](C[N@@H+](C)Cc2nnc3n2CCOC3)C1 ZINC001267645588 838131337 /nfs/dbraw/zinc/13/13/37/838131337.db2.gz AWYCXZCUGHQJPY-OAHLLOKOSA-N 1 2 345.447 0.892 20 30 ECEDLO C#CCCCC(=O)N1CC[C@H](C[N@H+](C)Cc2nnc3n2CCOC3)C1 ZINC001267645588 838131339 /nfs/dbraw/zinc/13/13/39/838131339.db2.gz AWYCXZCUGHQJPY-OAHLLOKOSA-N 1 2 345.447 0.892 20 30 ECEDLO C=CCCC(=O)NCC1C[NH+](Cc2nn3c(nc(C)cc3=O)s2)C1 ZINC001267676754 838224216 /nfs/dbraw/zinc/22/42/16/838224216.db2.gz QKVYLWWMVXTRQS-UHFFFAOYSA-N 1 2 347.444 0.974 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)C(C)(C)c2cccc(F)c2)C1 ZINC001267692825 838270963 /nfs/dbraw/zinc/27/09/63/838270963.db2.gz MNGFJLRZWCTRKF-UHFFFAOYSA-N 1 2 345.418 0.901 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2ccc(C)nc2OC)C1 ZINC001267694202 838279032 /nfs/dbraw/zinc/27/90/32/838279032.db2.gz DYAMUCNEBQXGDZ-UHFFFAOYSA-N 1 2 332.404 0.362 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2cnn(C(F)F)c2)C1 ZINC001267695519 838283431 /nfs/dbraw/zinc/28/34/31/838283431.db2.gz YNWXGZAITKYAHP-UHFFFAOYSA-N 1 2 327.335 0.242 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[N@H+](CC(=O)NCc2cccnc2)C1 ZINC001267721772 838376065 /nfs/dbraw/zinc/37/60/65/838376065.db2.gz JHQHGAZYVILLBI-MAUKXSAKSA-N 1 2 346.431 0.215 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCc2cccnc2)C1 ZINC001267721772 838376076 /nfs/dbraw/zinc/37/60/76/838376076.db2.gz JHQHGAZYVILLBI-MAUKXSAKSA-N 1 2 346.431 0.215 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001267727590 838408661 /nfs/dbraw/zinc/40/86/61/838408661.db2.gz JGJBJEZUNOCKBL-GUYCJALGSA-N 1 2 334.420 0.545 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001267727590 838408667 /nfs/dbraw/zinc/40/86/67/838408667.db2.gz JGJBJEZUNOCKBL-GUYCJALGSA-N 1 2 334.420 0.545 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cccc(OC)c2C)C1 ZINC001267730927 838417285 /nfs/dbraw/zinc/41/72/85/838417285.db2.gz HDGLIUSLCVJDKC-AWEZNQCLSA-N 1 2 329.400 0.557 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccc(OC)c2C)C1 ZINC001267730927 838417288 /nfs/dbraw/zinc/41/72/88/838417288.db2.gz HDGLIUSLCVJDKC-AWEZNQCLSA-N 1 2 329.400 0.557 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cccn2C)C1 ZINC001267736870 838432697 /nfs/dbraw/zinc/43/26/97/838432697.db2.gz OPWFOUOFOSNOCA-QWHCGFSZSA-N 1 2 347.419 0.230 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cccn2C)C1 ZINC001267736870 838432703 /nfs/dbraw/zinc/43/27/03/838432703.db2.gz OPWFOUOFOSNOCA-QWHCGFSZSA-N 1 2 347.419 0.230 20 30 ECEDLO COCC#CC[N@@H+]1CC[C@@H](NC(=O)Cc2n[nH]c3c2CCCC3)C1 ZINC001267741905 838443196 /nfs/dbraw/zinc/44/31/96/838443196.db2.gz RCCTXFMQOQSDIT-CQSZACIVSA-N 1 2 330.432 0.671 20 30 ECEDLO COCC#CC[N@H+]1CC[C@@H](NC(=O)Cc2n[nH]c3c2CCCC3)C1 ZINC001267741905 838443201 /nfs/dbraw/zinc/44/32/01/838443201.db2.gz RCCTXFMQOQSDIT-CQSZACIVSA-N 1 2 330.432 0.671 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001267751517 838473252 /nfs/dbraw/zinc/47/32/52/838473252.db2.gz CCDBRRYIKKAIOB-CZUORRHYSA-N 1 2 340.427 0.901 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001267751517 838473255 /nfs/dbraw/zinc/47/32/55/838473255.db2.gz CCDBRRYIKKAIOB-CZUORRHYSA-N 1 2 340.427 0.901 20 30 ECEDLO Cc1cc(=O)oc(C)c1C(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267767449 838504902 /nfs/dbraw/zinc/50/49/02/838504902.db2.gz JFFMHXODVLCZTG-CYBMUJFWSA-N 1 2 346.387 0.043 20 30 ECEDLO Cc1cc(=O)oc(C)c1C(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267767449 838504906 /nfs/dbraw/zinc/50/49/06/838504906.db2.gz JFFMHXODVLCZTG-CYBMUJFWSA-N 1 2 346.387 0.043 20 30 ECEDLO CCO[C@H](C(=O)N(CC)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1)C1CC1 ZINC001267784878 838560757 /nfs/dbraw/zinc/56/07/57/838560757.db2.gz AVXWWEGJWFJSRQ-ZBFHGGJFSA-N 1 2 336.436 0.364 20 30 ECEDLO CCO[C@H](C(=O)N(CC)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1)C1CC1 ZINC001267784878 838560760 /nfs/dbraw/zinc/56/07/60/838560760.db2.gz AVXWWEGJWFJSRQ-ZBFHGGJFSA-N 1 2 336.436 0.364 20 30 ECEDLO CCN(C(=O)c1cc(C(C)C)on1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267787371 838563720 /nfs/dbraw/zinc/56/37/20/838563720.db2.gz AXWSJULSZVHEAA-ZDUSSCGKSA-N 1 2 347.419 0.974 20 30 ECEDLO CCN(C(=O)c1cc(C(C)C)on1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267787371 838563727 /nfs/dbraw/zinc/56/37/27/838563727.db2.gz AXWSJULSZVHEAA-ZDUSSCGKSA-N 1 2 347.419 0.974 20 30 ECEDLO CCCCCC(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105159105 838696391 /nfs/dbraw/zinc/69/63/91/838696391.db2.gz BPHPNRRXOMRUCT-UHFFFAOYSA-N 1 2 333.436 0.981 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3nc[nH]c3n2)C1 ZINC001267942706 838830107 /nfs/dbraw/zinc/83/01/07/838830107.db2.gz KHNUYLVFLRNOOC-GFCCVEGCSA-N 1 2 342.403 0.454 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3nc[nH]c3n2)C1 ZINC001267942706 838830120 /nfs/dbraw/zinc/83/01/20/838830120.db2.gz KHNUYLVFLRNOOC-GFCCVEGCSA-N 1 2 342.403 0.454 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cc2ccc(F)cn2)C1 ZINC001267942754 838831613 /nfs/dbraw/zinc/83/16/13/838831613.db2.gz MGNXNLUIMGJKAD-OAHLLOKOSA-N 1 2 332.379 0.093 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(F)cn2)C1 ZINC001267942754 838831621 /nfs/dbraw/zinc/83/16/21/838831621.db2.gz MGNXNLUIMGJKAD-OAHLLOKOSA-N 1 2 332.379 0.093 20 30 ECEDLO C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001267966582 838885695 /nfs/dbraw/zinc/88/56/95/838885695.db2.gz NZDOPQZOFQPBBL-CYBMUJFWSA-N 1 2 344.419 0.618 20 30 ECEDLO Cc1cccc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)c1C#N ZINC000174637391 231264250 /nfs/dbraw/zinc/26/42/50/231264250.db2.gz SJEFMXYZWNWUBN-ZDUSSCGKSA-N 1 2 330.388 0.642 20 30 ECEDLO CC[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000427891066 210228580 /nfs/dbraw/zinc/22/85/80/210228580.db2.gz CTWNGNBUZAWNDR-HNNXBMFYSA-N 1 2 330.388 0.724 20 30 ECEDLO CC[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000427891066 210228581 /nfs/dbraw/zinc/22/85/81/210228581.db2.gz CTWNGNBUZAWNDR-HNNXBMFYSA-N 1 2 330.388 0.724 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1c(F)cc(C#N)cc1F ZINC000132315947 529942528 /nfs/dbraw/zinc/94/25/28/529942528.db2.gz ULPGSVSANIZZTG-GFCCVEGCSA-N 1 2 339.342 0.602 20 30 ECEDLO N#Cc1ccc(C2(C(=O)N[C@H](CO)C[NH+]3CCOCC3)CC2)cc1 ZINC000425295052 210035216 /nfs/dbraw/zinc/03/52/16/210035216.db2.gz OIWRCZZTCKEQOW-INIZCTEOSA-N 1 2 329.400 0.399 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(C(=O)OCC)cn2)CC1 ZINC000037162659 213134751 /nfs/dbraw/zinc/13/47/51/213134751.db2.gz NDHNWJVJBWEXGG-UHFFFAOYSA-N 1 2 332.404 0.683 20 30 ECEDLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000187960334 236359645 /nfs/dbraw/zinc/35/96/45/236359645.db2.gz ZJSLWTCXIVCHNG-NSHDSACASA-N 1 2 343.836 0.899 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000264151408 246113852 /nfs/dbraw/zinc/11/38/52/246113852.db2.gz ISRRHXMXSWDNLT-UHFFFAOYSA-N 1 2 344.371 0.492 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000264151408 246113857 /nfs/dbraw/zinc/11/38/57/246113857.db2.gz ISRRHXMXSWDNLT-UHFFFAOYSA-N 1 2 344.371 0.492 20 30 ECEDLO CN1C(=O)N[C@@H]2CN(C(=O)NCCc3cn4c([nH+]3)CCCC4)CC[C@@H]21 ZINC000329037870 254596571 /nfs/dbraw/zinc/59/65/71/254596571.db2.gz NKLJZIIHSWBMBF-KGLIPLIRSA-N 1 2 346.435 0.978 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(C)n2C[C@H]2CCOC2)CC1 ZINC000339139934 254672710 /nfs/dbraw/zinc/67/27/10/254672710.db2.gz BOAAZMVBVOMKDK-OAHLLOKOSA-N 1 2 348.451 0.047 20 30 ECEDLO C=CCCN(C)C(=O)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000343122379 254685340 /nfs/dbraw/zinc/68/53/40/254685340.db2.gz WIMAEEGXYNPABR-MRXNPFEDSA-N 1 2 341.477 0.345 20 30 ECEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH+]2C[C@@H](O)[C@H](O)C2)cc1 ZINC000444716652 254801684 /nfs/dbraw/zinc/80/16/84/254801684.db2.gz QAVQRUWZNMYNDC-HZPDHXFCSA-N 1 2 333.388 0.369 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(NC(C)=O)cc2F)CC1 ZINC000490762735 254885013 /nfs/dbraw/zinc/88/50/13/254885013.db2.gz LBLNENLHKYNVLM-UHFFFAOYSA-N 1 2 333.363 0.940 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)N[C@](C)(CC(C)C)C2=O)CC1 ZINC000490779454 254885901 /nfs/dbraw/zinc/88/59/01/254885901.db2.gz WJPGASHWESNXSN-QGZVFWFLSA-N 1 2 334.420 0.120 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2nc(C)ccc2C#N)CC1 ZINC000161191692 296715466 /nfs/dbraw/zinc/71/54/66/296715466.db2.gz NDJAGWVYYLKLFP-OAHLLOKOSA-N 1 2 345.447 0.925 20 30 ECEDLO N#Cc1cc(S(=O)(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)ccc1F ZINC000123682477 222316923 /nfs/dbraw/zinc/31/69/23/222316923.db2.gz OOCAWCHBIBQZGZ-ZDUSSCGKSA-N 1 2 339.392 0.839 20 30 ECEDLO N#Cc1cc(S(=O)(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)ccc1F ZINC000123682477 222316927 /nfs/dbraw/zinc/31/69/27/222316927.db2.gz OOCAWCHBIBQZGZ-ZDUSSCGKSA-N 1 2 339.392 0.839 20 30 ECEDLO C[N@@H+]1CC[C@H](NC(=O)Cn2cnc(C#N)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000179343462 263155833 /nfs/dbraw/zinc/15/58/33/263155833.db2.gz IVQWXRDBHCODAY-BBRMVZONSA-N 1 2 346.341 0.990 20 30 ECEDLO C[N@H+]1CC[C@H](NC(=O)Cn2cnc(C#N)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000179343462 263155834 /nfs/dbraw/zinc/15/58/34/263155834.db2.gz IVQWXRDBHCODAY-BBRMVZONSA-N 1 2 346.341 0.990 20 30 ECEDLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000187958258 263161115 /nfs/dbraw/zinc/16/11/15/263161115.db2.gz CDVZZBFUFVLCQL-NSHDSACASA-N 1 2 343.836 0.899 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCC(=O)N3)CC2)cc1 ZINC000270227904 263229068 /nfs/dbraw/zinc/22/90/68/263229068.db2.gz NPVFBOXVZOXIEI-INIZCTEOSA-N 1 2 326.400 0.871 20 30 ECEDLO N#Cc1ccc(F)c(CS(=O)(=O)N2CC[NH+](CCCO)CC2)c1 ZINC000330665012 270005688 /nfs/dbraw/zinc/00/56/88/270005688.db2.gz QXVFWBVGCAWDKB-UHFFFAOYSA-N 1 2 341.408 0.527 20 30 ECEDLO CCN1CCN(S(=O)(=O)c2cccnc2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000332328417 270005821 /nfs/dbraw/zinc/00/58/21/270005821.db2.gz OTTRHEHQVIHVTJ-CYBMUJFWSA-N 1 2 346.416 0.744 20 30 ECEDLO CNS(=O)(=O)C1CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000372399884 270007475 /nfs/dbraw/zinc/00/74/75/270007475.db2.gz XKFXMLQFFRUJLE-UHFFFAOYSA-N 1 2 333.417 0.720 20 30 ECEDLO CN(C)c1cc(C#N)cc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000295049938 265040155 /nfs/dbraw/zinc/04/01/55/265040155.db2.gz SORBJAIHBHEWJL-QGZVFWFLSA-N 1 2 346.431 0.389 20 30 ECEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000367208344 266153279 /nfs/dbraw/zinc/15/32/79/266153279.db2.gz IYARYQLQBVAYAN-OAHLLOKOSA-N 1 2 329.404 0.323 20 30 ECEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000367208344 266153284 /nfs/dbraw/zinc/15/32/84/266153284.db2.gz IYARYQLQBVAYAN-OAHLLOKOSA-N 1 2 329.404 0.323 20 30 ECEDLO CN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000347018122 266569214 /nfs/dbraw/zinc/56/92/14/266569214.db2.gz HLALPTTVSLWHNY-HNNXBMFYSA-N 1 2 337.383 0.844 20 30 ECEDLO C[C@@H]1C[NH+](CCN(C)S(=O)(=O)c2ccc(C#N)o2)C[C@@H](C)O1 ZINC000344760943 267051957 /nfs/dbraw/zinc/05/19/57/267051957.db2.gz BURPSUFFOVPMOO-VXGBXAGGSA-N 1 2 327.406 0.881 20 30 ECEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCOc1ccc(C#N)cc1 ZINC000341136963 267068905 /nfs/dbraw/zinc/06/89/05/267068905.db2.gz ZDMHDFRUFUVTHD-CQSZACIVSA-N 1 2 332.404 0.957 20 30 ECEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCCOc1ccc(C#N)cc1 ZINC000341136963 267068906 /nfs/dbraw/zinc/06/89/06/267068906.db2.gz ZDMHDFRUFUVTHD-CQSZACIVSA-N 1 2 332.404 0.957 20 30 ECEDLO C[C@@H]1NC(=O)N(CC[NH+]2CCN(c3ccc(C#N)cc3F)CC2)C1=O ZINC000332110005 267096768 /nfs/dbraw/zinc/09/67/68/267096768.db2.gz GCVOMPSTYOVYLB-LBPRGKRZSA-N 1 2 345.378 0.760 20 30 ECEDLO C[C@H](C(=O)N1CC[NH+](Cc2ccccn2)CC1)n1cnc(C#N)n1 ZINC000337887114 267127666 /nfs/dbraw/zinc/12/76/66/267127666.db2.gz DXIFEDXHXNUQSU-CYBMUJFWSA-N 1 2 325.376 0.450 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000270146584 267157187 /nfs/dbraw/zinc/15/71/87/267157187.db2.gz FJFOPCHVXKLHLD-CYBMUJFWSA-N 1 2 342.399 0.284 20 30 ECEDLO C[C@H](CNS(=O)(=O)c1ccc(C#N)cc1)C[NH+]1CCN(C)CC1 ZINC000298808946 267163067 /nfs/dbraw/zinc/16/30/67/267163067.db2.gz JORIVCFCQXYQLD-CQSZACIVSA-N 1 2 336.461 0.720 20 30 ECEDLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cccnc1C#N ZINC000276956329 267229539 /nfs/dbraw/zinc/22/95/39/267229539.db2.gz CHQRLSFDWFWXMV-LBPRGKRZSA-N 1 2 338.433 0.419 20 30 ECEDLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cccnc1C#N ZINC000276956329 267229540 /nfs/dbraw/zinc/22/95/40/267229540.db2.gz CHQRLSFDWFWXMV-LBPRGKRZSA-N 1 2 338.433 0.419 20 30 ECEDLO C[C@H]1C[NH+](CCCNS(=O)(=O)c2cccnc2C#N)C[C@H](C)O1 ZINC000276978835 267231020 /nfs/dbraw/zinc/23/10/20/267231020.db2.gz GTSAJJIFSPVCPQ-STQMWFEESA-N 1 2 338.433 0.731 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC[N@@H+]1CCO ZINC000359989359 267235835 /nfs/dbraw/zinc/23/58/35/267235835.db2.gz XLCVYHIGBNHQMH-LBPRGKRZSA-N 1 2 341.408 0.526 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC[N@H+]1CCO ZINC000359989359 267235838 /nfs/dbraw/zinc/23/58/38/267235838.db2.gz XLCVYHIGBNHQMH-LBPRGKRZSA-N 1 2 341.408 0.526 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@@H+]1CC(C)(C)O ZINC000287454150 267236961 /nfs/dbraw/zinc/23/69/61/267236961.db2.gz RFMHSYBMIGRGAZ-NSHDSACASA-N 1 2 327.406 0.617 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@H+]1CC(C)(C)O ZINC000287454150 267236963 /nfs/dbraw/zinc/23/69/63/267236963.db2.gz RFMHSYBMIGRGAZ-NSHDSACASA-N 1 2 327.406 0.617 20 30 ECEDLO N#Cc1ccc(F)c(CS(=O)(=O)NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000347145963 268104238 /nfs/dbraw/zinc/10/42/38/268104238.db2.gz BYSCQCGLLHFPPM-AWEZNQCLSA-N 1 2 338.408 0.117 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1 ZINC000364953492 268275408 /nfs/dbraw/zinc/27/54/08/268275408.db2.gz HGUQPXPVCNSYKE-NUEKZKHPSA-N 1 2 347.440 0.918 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1 ZINC000364953492 268275410 /nfs/dbraw/zinc/27/54/10/268275410.db2.gz HGUQPXPVCNSYKE-NUEKZKHPSA-N 1 2 347.440 0.918 20 30 ECEDLO N#Cc1csc(C(=O)N[C@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000370310760 268319465 /nfs/dbraw/zinc/31/94/65/268319465.db2.gz ADTJOUIVLCIVGU-AWEZNQCLSA-N 1 2 334.445 0.756 20 30 ECEDLO Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1S(C)(=O)=O ZINC000330710995 437595246 /nfs/dbraw/zinc/59/52/46/437595246.db2.gz XMFXNTDLFGYELX-CQSZACIVSA-N 1 2 339.461 0.949 20 30 ECEDLO Cc1ccc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1S(C)(=O)=O ZINC000330710995 437595250 /nfs/dbraw/zinc/59/52/50/437595250.db2.gz XMFXNTDLFGYELX-CQSZACIVSA-N 1 2 339.461 0.949 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000330755807 437607653 /nfs/dbraw/zinc/60/76/53/437607653.db2.gz YZBRSSNTNUKGLF-ZDUSSCGKSA-N 1 2 344.481 0.350 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015447022 436081464 /nfs/dbraw/zinc/08/14/64/436081464.db2.gz YIXKHHLILUHSKQ-UHFFFAOYSA-N 1 2 326.322 0.972 20 30 ECEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CCOCCO)CC1 ZINC000074348546 436124882 /nfs/dbraw/zinc/12/48/82/436124882.db2.gz NSUXYAUMSBGPCJ-UHFFFAOYSA-N 1 2 332.360 0.937 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN([C@@H](C)C(=O)Nc2cc(C)no2)CC1 ZINC000022969375 436122497 /nfs/dbraw/zinc/12/24/97/436122497.db2.gz IKAWCXIMEWZKDP-ZDUSSCGKSA-N 1 2 335.408 0.230 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000076384607 436202399 /nfs/dbraw/zinc/20/23/99/436202399.db2.gz PWJHZGVIXODLPU-LSDHHAIUSA-N 1 2 326.462 0.804 20 30 ECEDLO CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000081542369 436351568 /nfs/dbraw/zinc/35/15/68/436351568.db2.gz BSPSLOQXQVIFAV-ZWKOTPCHSA-N 1 2 340.427 0.942 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000042534383 436306846 /nfs/dbraw/zinc/30/68/46/436306846.db2.gz MOJATCSTDGEIBR-ULQDDVLXSA-N 1 2 348.491 0.246 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)/C=C/c1ccccc1C#N ZINC000082984545 436366273 /nfs/dbraw/zinc/36/62/73/436366273.db2.gz ZGPYSELQVPVRAT-LXXRFIIISA-N 1 2 329.400 0.723 20 30 ECEDLO C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000047860045 436432077 /nfs/dbraw/zinc/43/20/77/436432077.db2.gz AUANHRKFWYKYFM-HOCLYGCPSA-N 1 2 343.431 0.759 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000094155553 436492423 /nfs/dbraw/zinc/49/24/23/436492423.db2.gz SWTPATSXEVZKMX-CQSZACIVSA-N 1 2 331.420 0.616 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CC(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000053423465 436533251 /nfs/dbraw/zinc/53/32/51/436533251.db2.gz KQNOJZJOBYCNSM-HOTGVXAUSA-N 1 2 336.480 0.696 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc2nncn2c1 ZINC000101867932 436549639 /nfs/dbraw/zinc/54/96/39/436549639.db2.gz JPTPTBJKMHSUSJ-UHFFFAOYSA-N 1 2 328.376 0.417 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ncccc2C(N)=O)CC1 ZINC000102399660 436551787 /nfs/dbraw/zinc/55/17/87/436551787.db2.gz IYXWNIPUSWOUDZ-CYBMUJFWSA-N 1 2 344.419 0.063 20 30 ECEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CCN(c2ncccn2)CC1 ZINC000105169788 436571221 /nfs/dbraw/zinc/57/12/21/436571221.db2.gz OOPXCBAECVRTAP-UHFFFAOYSA-N 1 2 327.392 0.255 20 30 ECEDLO C[C@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@H](C)[NH+]1CCOCC1 ZINC000105739421 436575863 /nfs/dbraw/zinc/57/58/63/436575863.db2.gz MGUGJKYIPNYKDL-RYUDHWBXSA-N 1 2 348.378 0.861 20 30 ECEDLO C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000105740298 436577164 /nfs/dbraw/zinc/57/71/64/436577164.db2.gz WPHDZMXCUOWMIO-CHWSQXEVSA-N 1 2 330.388 0.722 20 30 ECEDLO Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1S(=O)(=O)NCC#N ZINC000108762996 436620704 /nfs/dbraw/zinc/62/07/04/436620704.db2.gz KWLIVTUYCOBSEJ-UHFFFAOYSA-N 1 2 336.417 0.185 20 30 ECEDLO COC[C@@H](O)CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000117992506 436660286 /nfs/dbraw/zinc/66/02/86/436660286.db2.gz LHMWVODJYSDQHT-NSHDSACASA-N 1 2 330.388 0.653 20 30 ECEDLO Cc1cc(C#N)cnc1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000551852080 302365769 /nfs/dbraw/zinc/36/57/69/302365769.db2.gz ADKXCDXMAQJMRK-MRXNPFEDSA-N 1 2 344.415 0.825 20 30 ECEDLO CCOC1CC(CNC(=O)c2ccnc(C#N)c2)([NH+]2CCOCC2)C1 ZINC000194353198 436664156 /nfs/dbraw/zinc/66/41/56/436664156.db2.gz VDVLWPLWYAXDAC-UHFFFAOYSA-N 1 2 344.415 0.953 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000143376045 436674991 /nfs/dbraw/zinc/67/49/91/436674991.db2.gz LFTSYTRYUAYXOE-OAHLLOKOSA-N 1 2 344.481 0.397 20 30 ECEDLO C[C@H](C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C)CS(C)(=O)=O ZINC000119969721 436676912 /nfs/dbraw/zinc/67/69/12/436676912.db2.gz NUNHXYIHPKTJJI-CHWSQXEVSA-N 1 2 337.449 0.539 20 30 ECEDLO C[C@H](C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C)CS(C)(=O)=O ZINC000119969721 436676915 /nfs/dbraw/zinc/67/69/15/436676915.db2.gz NUNHXYIHPKTJJI-CHWSQXEVSA-N 1 2 337.449 0.539 20 30 ECEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000153053033 436747013 /nfs/dbraw/zinc/74/70/13/436747013.db2.gz ZVLQCTGLXLZSFP-IAGOWNOFSA-N 1 2 345.447 0.888 20 30 ECEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000153053033 436747016 /nfs/dbraw/zinc/74/70/16/436747016.db2.gz ZVLQCTGLXLZSFP-IAGOWNOFSA-N 1 2 345.447 0.888 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](S(=O)(=O)NCC)C1 ZINC000245542164 436764178 /nfs/dbraw/zinc/76/41/78/436764178.db2.gz RAGWOIXWXSARRX-KGLIPLIRSA-N 1 2 329.466 0.589 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@H](S(=O)(=O)NCC)C1 ZINC000245542164 436764180 /nfs/dbraw/zinc/76/41/80/436764180.db2.gz RAGWOIXWXSARRX-KGLIPLIRSA-N 1 2 329.466 0.589 20 30 ECEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCN4C(=O)NC[C@H]4C3)C2=O)cc1 ZINC000245538999 436764766 /nfs/dbraw/zinc/76/47/66/436764766.db2.gz ZMVBOWDLUHELFF-JKSUJKDBSA-N 1 2 339.399 0.763 20 30 ECEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCN4C(=O)NC[C@H]4C3)C2=O)cc1 ZINC000245538999 436764769 /nfs/dbraw/zinc/76/47/69/436764769.db2.gz ZMVBOWDLUHELFF-JKSUJKDBSA-N 1 2 339.399 0.763 20 30 ECEDLO N#CC1(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCC1 ZINC000069261404 436767103 /nfs/dbraw/zinc/76/71/03/436767103.db2.gz MCVSPJJMLJMCST-AWEZNQCLSA-N 1 2 334.420 0.120 20 30 ECEDLO Cc1nn(C)c(C)c1OCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000128735259 436819685 /nfs/dbraw/zinc/81/96/85/436819685.db2.gz RQNWGAOZLWIABY-UHFFFAOYSA-N 1 2 349.435 0.490 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2C(=O)NCC)CC1 ZINC000154759962 436783960 /nfs/dbraw/zinc/78/39/60/436783960.db2.gz UFUVLIKXBRRMEP-UHFFFAOYSA-N 1 2 328.416 0.626 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000126973611 436794213 /nfs/dbraw/zinc/79/42/13/436794213.db2.gz UMVUDYUFLYLIEH-INIZCTEOSA-N 1 2 336.480 0.671 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000126973611 436794214 /nfs/dbraw/zinc/79/42/14/436794214.db2.gz UMVUDYUFLYLIEH-INIZCTEOSA-N 1 2 336.480 0.671 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2cnn(C)c2Br)CC1 ZINC000274168922 436804015 /nfs/dbraw/zinc/80/40/15/436804015.db2.gz IBWZZZXVVXLMEK-UHFFFAOYSA-N 1 2 325.210 0.964 20 30 ECEDLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000155903892 436806012 /nfs/dbraw/zinc/80/60/12/436806012.db2.gz AKHCXTZZLYDQQF-LSDHHAIUSA-N 1 2 348.428 0.287 20 30 ECEDLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000155903892 436806015 /nfs/dbraw/zinc/80/60/15/436806015.db2.gz AKHCXTZZLYDQQF-LSDHHAIUSA-N 1 2 348.428 0.287 20 30 ECEDLO CC1(C)C[N@H+](CCNC(=O)C(=O)Nc2sccc2C#N)CCO1 ZINC000293143872 436852955 /nfs/dbraw/zinc/85/29/55/436852955.db2.gz RYSRJNMPAVNNSW-UHFFFAOYSA-N 1 2 336.417 0.785 20 30 ECEDLO CC1(C)C[N@@H+](CCNC(=O)C(=O)Nc2sccc2C#N)CCO1 ZINC000293143872 436852959 /nfs/dbraw/zinc/85/29/59/436852959.db2.gz RYSRJNMPAVNNSW-UHFFFAOYSA-N 1 2 336.417 0.785 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2cncc(C)c2)CC1 ZINC000293141416 436853134 /nfs/dbraw/zinc/85/31/34/436853134.db2.gz RVJOXRUDWSLFJX-UHFFFAOYSA-N 1 2 342.443 0.606 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2cncc(C)c2)CC1 ZINC000293141416 436853136 /nfs/dbraw/zinc/85/31/36/436853136.db2.gz RVJOXRUDWSLFJX-UHFFFAOYSA-N 1 2 342.443 0.606 20 30 ECEDLO C=CCCS(=O)(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000130321060 436837233 /nfs/dbraw/zinc/83/72/33/436837233.db2.gz IAMJLFOUSPGMNI-UHFFFAOYSA-N 1 2 329.466 0.522 20 30 ECEDLO C=CCCS(=O)(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000130321060 436837236 /nfs/dbraw/zinc/83/72/36/436837236.db2.gz IAMJLFOUSPGMNI-UHFFFAOYSA-N 1 2 329.466 0.522 20 30 ECEDLO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000160831927 436880062 /nfs/dbraw/zinc/88/00/62/436880062.db2.gz RICSFEDCKWHUFO-NSHDSACASA-N 1 2 329.809 0.821 20 30 ECEDLO C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000160831927 436880067 /nfs/dbraw/zinc/88/00/67/436880067.db2.gz RICSFEDCKWHUFO-NSHDSACASA-N 1 2 329.809 0.821 20 30 ECEDLO Cc1cccc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)c1C#N ZINC000160823972 436880113 /nfs/dbraw/zinc/88/01/13/436880113.db2.gz LUHHTZZFHYIJMB-UHFFFAOYSA-N 1 2 337.445 0.944 20 30 ECEDLO C#CCNc1nc(N(C)[C@@H](CC)CO)nc(N(C)[C@@H](CC)CO)[nH+]1 ZINC000294831109 436962526 /nfs/dbraw/zinc/96/25/26/436962526.db2.gz ACGRVSDHHBNIMK-STQMWFEESA-N 1 2 336.440 0.331 20 30 ECEDLO C#CCNc1nc(N(C)[C@@H](CC)CO)[nH+]c(N(C)[C@@H](CC)CO)n1 ZINC000294831109 436962530 /nfs/dbraw/zinc/96/25/30/436962530.db2.gz ACGRVSDHHBNIMK-STQMWFEESA-N 1 2 336.440 0.331 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000282793630 437020707 /nfs/dbraw/zinc/02/07/07/437020707.db2.gz JLWJYONDUKCJPZ-AWEZNQCLSA-N 1 2 337.449 0.535 20 30 ECEDLO C[C@H]1CN(c2ccc(CNC(=O)N3CCO[C@@H](C#N)C3)c[nH+]2)CCO1 ZINC000264430350 437028748 /nfs/dbraw/zinc/02/87/48/437028748.db2.gz WZIDHQCSXVHXEF-ZFWWWQNUSA-N 1 2 345.403 0.741 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)Nc2nnc(NS(C)(=O)=O)s2)CC1 ZINC000299130098 437058804 /nfs/dbraw/zinc/05/88/04/437058804.db2.gz CLPDIGBTWYAMOD-UHFFFAOYSA-N 1 2 343.434 0.193 20 30 ECEDLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000264782941 437083233 /nfs/dbraw/zinc/08/32/33/437083233.db2.gz VEPBQYMSFZGLOV-GFCCVEGCSA-N 1 2 342.852 0.736 20 30 ECEDLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000264782941 437083236 /nfs/dbraw/zinc/08/32/36/437083236.db2.gz VEPBQYMSFZGLOV-GFCCVEGCSA-N 1 2 342.852 0.736 20 30 ECEDLO C#CCNc1nc(N2CCOC[C@@H]2C)nc(N2CCOC[C@@H]2C)[nH+]1 ZINC000286312925 437088035 /nfs/dbraw/zinc/08/80/35/437088035.db2.gz ZHLNGKKSEUVAQZ-STQMWFEESA-N 1 2 332.408 0.367 20 30 ECEDLO C#CCNc1nc(N2CCOC[C@@H]2C)[nH+]c(N2CCOC[C@@H]2C)n1 ZINC000286312925 437088040 /nfs/dbraw/zinc/08/80/40/437088040.db2.gz ZHLNGKKSEUVAQZ-STQMWFEESA-N 1 2 332.408 0.367 20 30 ECEDLO C=CCSCCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000286532770 437099289 /nfs/dbraw/zinc/09/92/89/437099289.db2.gz QBSOMUMJHTWKLK-AWEZNQCLSA-N 1 2 341.477 0.345 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000175180717 437098128 /nfs/dbraw/zinc/09/81/28/437098128.db2.gz MHMWZCMAHKUYJN-UHFFFAOYSA-N 1 2 336.359 0.525 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000176992265 437162795 /nfs/dbraw/zinc/16/27/95/437162795.db2.gz LGBSSAUEUUDGQB-BBRMVZONSA-N 1 2 335.429 0.899 20 30 ECEDLO CC[N@H+](Cc1nnc(C)o1)[C@H]1CN(C(=O)C2(C#N)CCC2)C[C@H]1O ZINC000333272636 437265565 /nfs/dbraw/zinc/26/55/65/437265565.db2.gz NYLFVSSRQAISDS-QWHCGFSZSA-N 1 2 333.392 0.466 20 30 ECEDLO CC[N@@H+](Cc1nnc(C)o1)[C@H]1CN(C(=O)C2(C#N)CCC2)C[C@H]1O ZINC000333272636 437265568 /nfs/dbraw/zinc/26/55/68/437265568.db2.gz NYLFVSSRQAISDS-QWHCGFSZSA-N 1 2 333.392 0.466 20 30 ECEDLO CS(=O)(=O)C1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000322548236 437217898 /nfs/dbraw/zinc/21/78/98/437217898.db2.gz MAZAKJIXWAPVKZ-AWEZNQCLSA-N 1 2 338.429 0.807 20 30 ECEDLO N#CCOc1ccc(/C=C/C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1 ZINC000178612423 437220364 /nfs/dbraw/zinc/22/03/64/437220364.db2.gz XPSLUMULUIHUDB-WUTVXBCWSA-N 1 2 326.400 0.718 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCc2c(ncn(C)c2=O)C1 ZINC000332665852 437239943 /nfs/dbraw/zinc/23/99/43/437239943.db2.gz FUZRCIKPCHPDCU-SJCJKPOMSA-N 1 2 331.420 0.581 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCc2c(ncn(C)c2=O)C1 ZINC000332665852 437239946 /nfs/dbraw/zinc/23/99/46/437239946.db2.gz FUZRCIKPCHPDCU-SJCJKPOMSA-N 1 2 331.420 0.581 20 30 ECEDLO CCOC(=O)C1(O)CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000266892946 437262039 /nfs/dbraw/zinc/26/20/39/437262039.db2.gz DMHOMAXDCAVRDS-UHFFFAOYSA-N 1 2 336.392 0.032 20 30 ECEDLO Cc1ccn2cc(CNS(=O)(=O)N3CCO[C@H](C#N)C3)[nH+]c2c1 ZINC000336924026 437312791 /nfs/dbraw/zinc/31/27/91/437312791.db2.gz VESWNJBAVLNPTL-CYBMUJFWSA-N 1 2 335.389 0.202 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000336951812 437318245 /nfs/dbraw/zinc/31/82/45/437318245.db2.gz VDFCCWRCSITOSJ-CQSZACIVSA-N 1 2 331.486 0.082 20 30 ECEDLO N#CCC1(CS(=O)(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000333461985 437270783 /nfs/dbraw/zinc/27/07/83/437270783.db2.gz UUYBEIYVCHQWBD-CQSZACIVSA-N 1 2 327.450 0.807 20 30 ECEDLO CC(C)[C@@H](CNS(=O)(=O)CC1(C#N)CC1)[NH+]1CCN(C)CC1 ZINC000180416466 437289813 /nfs/dbraw/zinc/28/98/13/437289813.db2.gz LJJUQYQPJXFYEB-CQSZACIVSA-N 1 2 328.482 0.482 20 30 ECEDLO C[C@H]([C@H](C)NC(=O)N1CCOC[C@@H]1[C@@H]1CCCO1)[NH+]1CCOCC1 ZINC000329252316 437340127 /nfs/dbraw/zinc/34/01/27/437340127.db2.gz YNDIOJZQUGOLSW-JJXSEGSLSA-N 1 2 341.452 0.889 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NC[C@@H]2Cc3ccccc3O2)C1=O ZINC000337221264 437341914 /nfs/dbraw/zinc/34/19/14/437341914.db2.gz LAYYLPFQUSGRND-HOTGVXAUSA-N 1 2 343.427 0.825 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NC[C@@H]2Cc3ccccc3O2)C1=O ZINC000337221264 437341916 /nfs/dbraw/zinc/34/19/16/437341916.db2.gz LAYYLPFQUSGRND-HOTGVXAUSA-N 1 2 343.427 0.825 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(CC)CC(=O)NC(C)C)C1=O ZINC000337227880 437342419 /nfs/dbraw/zinc/34/24/19/437342419.db2.gz QNBYIDNVEZFNGN-AWEZNQCLSA-N 1 2 338.452 0.078 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(CC)CC(=O)NC(C)C)C1=O ZINC000337227880 437342424 /nfs/dbraw/zinc/34/24/24/437342424.db2.gz QNBYIDNVEZFNGN-AWEZNQCLSA-N 1 2 338.452 0.078 20 30 ECEDLO CN1C(=O)N[C@@]2(CCN(C(=O)NCc3ccn4cc[nH+]c4c3)C2)C1=O ZINC000329271219 437343903 /nfs/dbraw/zinc/34/39/03/437343903.db2.gz HWRNSSMGZCYIFQ-MRXNPFEDSA-N 1 2 342.359 0.579 20 30 ECEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329304859 437350321 /nfs/dbraw/zinc/35/03/21/437350321.db2.gz ANHPRCFRCYCPHI-BPUTZDHNSA-N 1 2 349.435 0.464 20 30 ECEDLO CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000329350261 437355124 /nfs/dbraw/zinc/35/51/24/437355124.db2.gz DFZPVVXHEMVFBS-GFCCVEGCSA-N 1 2 345.407 0.695 20 30 ECEDLO C[C@H](C#N)CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000182622895 437356144 /nfs/dbraw/zinc/35/61/44/437356144.db2.gz TZPBBXQIHMTGCI-CQSZACIVSA-N 1 2 344.419 0.579 20 30 ECEDLO O=C(N[C@H]1CCCS(=O)(=O)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000329379830 437359755 /nfs/dbraw/zinc/35/97/55/437359755.db2.gz NDIVWTQGMQRGQK-ZDUSSCGKSA-N 1 2 338.433 0.695 20 30 ECEDLO COc1ccccc1[C@H]1CN(C(=O)[C@H](C)n2cnc(C#N)n2)CC[NH2+]1 ZINC000337611177 437367800 /nfs/dbraw/zinc/36/78/00/437367800.db2.gz YONKLVUPYRGNJL-GXTWGEPZSA-N 1 2 340.387 0.892 20 30 ECEDLO CC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000329220017 437337391 /nfs/dbraw/zinc/33/73/91/437337391.db2.gz AIJVNYGKAGYURR-CYBMUJFWSA-N 1 2 326.397 0.243 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2nc(CC)cs2)CC1 ZINC000279393734 437403210 /nfs/dbraw/zinc/40/32/10/437403210.db2.gz JAZMRGFCSVEMKQ-UHFFFAOYSA-N 1 2 348.472 0.532 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2nc(CC)cs2)CC1 ZINC000279393734 437403217 /nfs/dbraw/zinc/40/32/17/437403217.db2.gz JAZMRGFCSVEMKQ-UHFFFAOYSA-N 1 2 348.472 0.532 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)CCCCC)CC1 ZINC000184513178 437403619 /nfs/dbraw/zinc/40/36/19/437403619.db2.gz XCBUWUJVTDHNGQ-UHFFFAOYSA-N 1 2 329.466 0.264 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)CCCCC)CC1 ZINC000184513178 437403622 /nfs/dbraw/zinc/40/36/22/437403622.db2.gz XCBUWUJVTDHNGQ-UHFFFAOYSA-N 1 2 329.466 0.264 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000279417451 437405682 /nfs/dbraw/zinc/40/56/82/437405682.db2.gz JAJHLNYKQGFNMH-CYBMUJFWSA-N 1 2 330.388 0.676 20 30 ECEDLO C[C@@H]1OCC[C@]1(C)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329750192 437409892 /nfs/dbraw/zinc/40/98/92/437409892.db2.gz HZCXCSACRZIZFP-ZQIUZPCESA-N 1 2 339.436 0.691 20 30 ECEDLO C#CCn1ccc(CN(CC)C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)n1 ZINC000279460696 437412359 /nfs/dbraw/zinc/41/23/59/437412359.db2.gz LFEIWJAZWVXQEP-MRXNPFEDSA-N 1 2 346.479 0.684 20 30 ECEDLO O=C(NCC1([NH+]2CCOCC2)CC1)N1CCC(F)(F)[C@H](CO)C1 ZINC000329786260 437413001 /nfs/dbraw/zinc/41/30/01/437413001.db2.gz XTHMKTQPLJSADM-LBPRGKRZSA-N 1 2 333.379 0.715 20 30 ECEDLO CO/N=C/C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000289558439 437422676 /nfs/dbraw/zinc/42/26/76/437422676.db2.gz ROYRAYBTOGBWCU-BUESGFEBSA-N 1 2 348.407 0.030 20 30 ECEDLO CO/N=C/C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000289558439 437422679 /nfs/dbraw/zinc/42/26/79/437422679.db2.gz ROYRAYBTOGBWCU-BUESGFEBSA-N 1 2 348.407 0.030 20 30 ECEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1cc2n(n1)CCCO2 ZINC000329891406 437427733 /nfs/dbraw/zinc/42/77/33/437427733.db2.gz HUUKPWHJYPRUOJ-UHFFFAOYSA-N 1 2 346.391 0.831 20 30 ECEDLO CCOC(=O)CON=C(C(=O)N(C)Cc1[nH+]ccn1C)c1ccn[nH]1 ZINC000279141982 437379527 /nfs/dbraw/zinc/37/95/27/437379527.db2.gz YJHSMPGFXNSJTG-XMHGGMMESA-N 1 2 348.363 0.086 20 30 ECEDLO C=CCn1c(C2CCC2)nnc1N1CC[NH+](CC(=O)NCC)CC1 ZINC000337851212 437380983 /nfs/dbraw/zinc/38/09/83/437380983.db2.gz JKYFXMRSBQYXPC-UHFFFAOYSA-N 1 2 332.452 0.990 20 30 ECEDLO Cc1nnc2n1C[C@H](C[NH+]=C([O-])N1C[C@H]3OCC[N@@H+](C)[C@H]3C1)CC2 ZINC000329595280 437389411 /nfs/dbraw/zinc/38/94/11/437389411.db2.gz ICUBKYDBJHHPLM-MELADBBJSA-N 1 2 334.424 0.078 20 30 ECEDLO Cc1nnc2n1C[C@H](C[NH+]=C([O-])N1C[C@H]3OCC[N@H+](C)[C@H]3C1)CC2 ZINC000329595280 437389415 /nfs/dbraw/zinc/38/94/15/437389415.db2.gz ICUBKYDBJHHPLM-MELADBBJSA-N 1 2 334.424 0.078 20 30 ECEDLO Cc1nnc2n1C[C@H](CNC(=O)N1C[C@H]3OCC[N@@H+](C)[C@H]3C1)CC2 ZINC000329595280 437389418 /nfs/dbraw/zinc/38/94/18/437389418.db2.gz ICUBKYDBJHHPLM-MELADBBJSA-N 1 2 334.424 0.078 20 30 ECEDLO Cc1nnc2n1C[C@H](CNC(=O)N1C[C@H]3OCC[N@H+](C)[C@H]3C1)CC2 ZINC000329595280 437389424 /nfs/dbraw/zinc/38/94/24/437389424.db2.gz ICUBKYDBJHHPLM-MELADBBJSA-N 1 2 334.424 0.078 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000183762064 437390115 /nfs/dbraw/zinc/39/01/15/437390115.db2.gz DVDADGAIGNFYNJ-GFCCVEGCSA-N 1 2 332.408 0.307 20 30 ECEDLO COc1ccc2c(c1)OC[C@H](NC(=O)N1C[C@H]3OCC[N@H+](C)[C@H]3C1)C2 ZINC000329610208 437390886 /nfs/dbraw/zinc/39/08/86/437390886.db2.gz NQUPJRHSLXRCAY-UKPHBRMFSA-N 1 2 347.415 0.928 20 30 ECEDLO COc1ccc2c(c1)OC[C@H](NC(=O)N1C[C@H]3OCC[N@@H+](C)[C@H]3C1)C2 ZINC000329610208 437390890 /nfs/dbraw/zinc/39/08/90/437390890.db2.gz NQUPJRHSLXRCAY-UKPHBRMFSA-N 1 2 347.415 0.928 20 30 ECEDLO C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000329626086 437393141 /nfs/dbraw/zinc/39/31/41/437393141.db2.gz VKIXKZRPLQSFSH-GPAUDHNESA-N 1 2 331.482 0.853 20 30 ECEDLO C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000329626086 437393144 /nfs/dbraw/zinc/39/31/44/437393144.db2.gz VKIXKZRPLQSFSH-GPAUDHNESA-N 1 2 331.482 0.853 20 30 ECEDLO C[S@](=O)C1(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CCC1 ZINC000329652522 437396648 /nfs/dbraw/zinc/39/66/48/437396648.db2.gz KXWPKXWOZAKSFM-PSLXWICFSA-N 1 2 343.493 0.998 20 30 ECEDLO CNS(=O)(=O)C1CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000339498379 437469730 /nfs/dbraw/zinc/46/97/30/437469730.db2.gz QVYIFTTYWZTADV-WFASDCNBSA-N 1 2 344.481 0.443 20 30 ECEDLO CC[C@@H]1CN(C(=O)N[C@@H]2CCc3ncnn3C2)C[C@@H]1[NH+]1CCOCC1 ZINC000330225106 437470885 /nfs/dbraw/zinc/47/08/85/437470885.db2.gz NZXQCBPXBLJUFW-KFWWJZLASA-N 1 2 348.451 0.550 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000330260728 437476377 /nfs/dbraw/zinc/47/63/77/437476377.db2.gz SVNIJDWENMNXBM-XJKCOSOUSA-N 1 2 349.435 0.617 20 30 ECEDLO C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000290340864 437480075 /nfs/dbraw/zinc/48/00/75/437480075.db2.gz XPMSZNUVUIDTAR-VXGBXAGGSA-N 1 2 348.378 0.861 20 30 ECEDLO C=CCNC(=O)NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000338990196 437432317 /nfs/dbraw/zinc/43/23/17/437432317.db2.gz QVEUXTHFQWOAQV-UHFFFAOYSA-N 1 2 341.415 0.688 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000329933694 437433109 /nfs/dbraw/zinc/43/31/09/437433109.db2.gz QFWGUFSOSZJFJP-RHSMWYFYSA-N 1 2 341.452 0.891 20 30 ECEDLO Cc1nnc2n1C[C@H](C[NH+]=C([O-])N1C[C@@H]3OCC[N@@H+](C)[C@H]3C1)CC2 ZINC000329922637 437433243 /nfs/dbraw/zinc/43/32/43/437433243.db2.gz ICUBKYDBJHHPLM-IHRRRGAJSA-N 1 2 334.424 0.078 20 30 ECEDLO Cc1nnc2n1C[C@H](C[NH+]=C([O-])N1C[C@@H]3OCC[N@H+](C)[C@H]3C1)CC2 ZINC000329922637 437433246 /nfs/dbraw/zinc/43/32/46/437433246.db2.gz ICUBKYDBJHHPLM-IHRRRGAJSA-N 1 2 334.424 0.078 20 30 ECEDLO Cc1nnc2n1C[C@H](CNC(=O)N1C[C@@H]3OCC[N@@H+](C)[C@H]3C1)CC2 ZINC000329922637 437433248 /nfs/dbraw/zinc/43/32/48/437433248.db2.gz ICUBKYDBJHHPLM-IHRRRGAJSA-N 1 2 334.424 0.078 20 30 ECEDLO Cc1nnc2n1C[C@H](CNC(=O)N1C[C@@H]3OCC[N@H+](C)[C@H]3C1)CC2 ZINC000329922637 437433249 /nfs/dbraw/zinc/43/32/49/437433249.db2.gz ICUBKYDBJHHPLM-IHRRRGAJSA-N 1 2 334.424 0.078 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)Cc3cccc(F)c3)C[C@H]21 ZINC000329938899 437434905 /nfs/dbraw/zinc/43/49/05/437434905.db2.gz SUANHCBQDMMYMP-HUUCEWRRSA-N 1 2 335.379 0.866 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)Cc3cccc(F)c3)C[C@H]21 ZINC000329938899 437434907 /nfs/dbraw/zinc/43/49/07/437434907.db2.gz SUANHCBQDMMYMP-HUUCEWRRSA-N 1 2 335.379 0.866 20 30 ECEDLO CCN1CCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329956708 437436332 /nfs/dbraw/zinc/43/63/32/437436332.db2.gz LJQSVIUJHVPMDS-OCCSQVGLSA-N 1 2 346.435 0.766 20 30 ECEDLO C[C@H](NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1)c1nnc2ccccn21 ZINC000329981614 437440763 /nfs/dbraw/zinc/44/07/63/437440763.db2.gz NQBHQAYXVKCAOX-AVGNSLFASA-N 1 2 330.392 0.719 20 30 ECEDLO C[C@H](NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1)c1nnc2ccccn21 ZINC000329981614 437440765 /nfs/dbraw/zinc/44/07/65/437440765.db2.gz NQBHQAYXVKCAOX-AVGNSLFASA-N 1 2 330.392 0.719 20 30 ECEDLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc[nH]c(=O)c1 ZINC000329980246 437441299 /nfs/dbraw/zinc/44/12/99/437441299.db2.gz KYUHMXGFPCSWOQ-ZDUSSCGKSA-N 1 2 334.376 0.025 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000185478357 437442183 /nfs/dbraw/zinc/44/21/83/437442183.db2.gz QAGZFXUFUDLYRD-LBPRGKRZSA-N 1 2 328.376 0.930 20 30 ECEDLO CSc1nc(=NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)s[nH]1 ZINC000330002339 437444200 /nfs/dbraw/zinc/44/42/00/437444200.db2.gz AXWSKWRGPIGKCZ-GFCCVEGCSA-N 1 2 347.466 0.091 20 30 ECEDLO CN(CCCn1cc[nH+]c1)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289889342 437448281 /nfs/dbraw/zinc/44/82/81/437448281.db2.gz MKEJTQFLQRZSPZ-UHFFFAOYSA-N 1 2 333.417 0.946 20 30 ECEDLO C[C@@H](CNC(=O)N1C[C@@H](C)O[C@]2(CCCOC2)C1)[NH+]1CCOCC1 ZINC000330090701 437453923 /nfs/dbraw/zinc/45/39/23/437453923.db2.gz XCSORRIKWRABEL-ZMSDIMECSA-N 1 2 341.452 0.891 20 30 ECEDLO CNC(=O)C[N@@H+]1CCCN(C(=O)NCc2cccc(C#N)c2)CC1 ZINC000359958504 437493639 /nfs/dbraw/zinc/49/36/39/437493639.db2.gz KECQWMAGCZOUOB-UHFFFAOYSA-N 1 2 329.404 0.522 20 30 ECEDLO CNC(=O)C[N@H+]1CCCN(C(=O)NCc2cccc(C#N)c2)CC1 ZINC000359958504 437493644 /nfs/dbraw/zinc/49/36/44/437493644.db2.gz KECQWMAGCZOUOB-UHFFFAOYSA-N 1 2 329.404 0.522 20 30 ECEDLO CCN1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330377031 437495029 /nfs/dbraw/zinc/49/50/29/437495029.db2.gz DXZDEOFVSURRKP-QWHCGFSZSA-N 1 2 340.453 0.425 20 30 ECEDLO CCS(=O)(=O)NC1CCN(C([O-])=[NH+]CCn2cc[nH+]c2)CC1 ZINC000330461388 437518182 /nfs/dbraw/zinc/51/81/82/437518182.db2.gz SBDNTAZEVMUOQV-UHFFFAOYSA-N 1 2 329.426 0.201 20 30 ECEDLO CCS(=O)(=O)NC1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000330461388 437518187 /nfs/dbraw/zinc/51/81/87/437518187.db2.gz SBDNTAZEVMUOQV-UHFFFAOYSA-N 1 2 329.426 0.201 20 30 ECEDLO C=C(C)CN(C)C(=O)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000343162758 437519558 /nfs/dbraw/zinc/51/95/58/437519558.db2.gz SDZDJEMELOCCHT-MRXNPFEDSA-N 1 2 341.477 0.345 20 30 ECEDLO C=CCCN(C)C(=O)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000339988936 437542365 /nfs/dbraw/zinc/54/23/65/437542365.db2.gz ZJHWXOMKEKNCKN-HNNXBMFYSA-N 1 2 325.453 0.884 20 30 ECEDLO COCCn1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c(C)n1 ZINC000360294190 437578086 /nfs/dbraw/zinc/57/80/86/437578086.db2.gz XKTSNGKPRZZMDE-UHFFFAOYSA-N 1 2 349.435 0.526 20 30 ECEDLO COC(=O)C1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000330661525 437583048 /nfs/dbraw/zinc/58/30/48/437583048.db2.gz SWUAGYOAZDFYLS-UHFFFAOYSA-N 1 2 327.425 0.896 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2nnc(CC)[nH]2)CC1 ZINC000190653678 437633432 /nfs/dbraw/zinc/63/34/32/437633432.db2.gz PDDDVLYTKQCHJE-NSHDSACASA-N 1 2 334.424 0.947 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2nc(CC)n[nH]2)CC1 ZINC000190653678 437633439 /nfs/dbraw/zinc/63/34/39/437633439.db2.gz PDDDVLYTKQCHJE-NSHDSACASA-N 1 2 334.424 0.947 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2n[nH]c(CC)n2)CC1 ZINC000190653678 437633446 /nfs/dbraw/zinc/63/34/46/437633446.db2.gz PDDDVLYTKQCHJE-NSHDSACASA-N 1 2 334.424 0.947 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000361021101 437654640 /nfs/dbraw/zinc/65/46/40/437654640.db2.gz SWUUGGHTOUJMIA-UHFFFAOYSA-N 1 2 344.463 0.910 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC(C)(C)CC(C)=O)CC1 ZINC000191829403 437657357 /nfs/dbraw/zinc/65/73/57/437657357.db2.gz YFVJXWZUTMRSCN-UHFFFAOYSA-N 1 2 335.448 0.666 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC(C)(C)CC(C)=O)CC1 ZINC000191829403 437657363 /nfs/dbraw/zinc/65/73/63/437657363.db2.gz YFVJXWZUTMRSCN-UHFFFAOYSA-N 1 2 335.448 0.666 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1c[nH+]cn1C ZINC000292125391 437660496 /nfs/dbraw/zinc/66/04/96/437660496.db2.gz XDQNQCYMPRIOPJ-GFCCVEGCSA-N 1 2 340.391 0.502 20 30 ECEDLO CCN1CCN(CC(=O)NC(=O)NCC(C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330982277 437663194 /nfs/dbraw/zinc/66/31/94/437663194.db2.gz JZGNDHGIBLHPDD-CYBMUJFWSA-N 1 2 336.440 0.775 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2ccnc(C#N)c2)CC1 ZINC000192483640 437677383 /nfs/dbraw/zinc/67/73/83/437677383.db2.gz HTDGSKQAGYDHRD-UHFFFAOYSA-N 1 2 348.370 0.592 20 30 ECEDLO O=C(C[NH+]1CCC(O)(C(F)F)CC1)NC(=O)NCC(F)(F)F ZINC000331162001 437705027 /nfs/dbraw/zinc/70/50/27/437705027.db2.gz RQRXCOOYKODVKM-UHFFFAOYSA-N 1 2 333.257 0.671 20 30 ECEDLO N#Cc1cc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)ccn1 ZINC000356397953 437763659 /nfs/dbraw/zinc/76/36/59/437763659.db2.gz RSDRAPYFCZZOCJ-INIZCTEOSA-N 1 2 330.388 0.517 20 30 ECEDLO COC(=O)COc1ccc(C[NH+]2CCN(CC#N)CC2)cc1[N+](=O)[O-] ZINC000355722204 437727903 /nfs/dbraw/zinc/72/79/03/437727903.db2.gz DHJQADNFFPGDJC-UHFFFAOYSA-N 1 2 348.359 0.788 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2noc(C3CCOCC3)n2)CC1 ZINC000355756864 437730360 /nfs/dbraw/zinc/73/03/60/437730360.db2.gz SSUHSVBWIGMZMV-UHFFFAOYSA-N 1 2 349.435 0.383 20 30 ECEDLO CC(C)Cn1c(N)c(C(=O)C[NH2+][C@@H]2CCC[C@H]2C#N)c(=O)n(C)c1=O ZINC000331353080 437743906 /nfs/dbraw/zinc/74/39/06/437743906.db2.gz OVSYHDKWNMVVRE-NWDGAFQWSA-N 1 2 347.419 0.250 20 30 ECEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cnn(C)c2C#N)nc[nH+]1 ZINC000356205948 437754162 /nfs/dbraw/zinc/75/41/62/437754162.db2.gz AKHDENLTBZTLAB-LLVKDONJSA-N 1 2 340.391 0.522 20 30 ECEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cnn(C)c2C#N)[nH+]cn1 ZINC000356205948 437754165 /nfs/dbraw/zinc/75/41/65/437754165.db2.gz AKHDENLTBZTLAB-LLVKDONJSA-N 1 2 340.391 0.522 20 30 ECEDLO C#CCCCCC(=O)N1C[C@@H](O)[C@@H]([N@H+](CC)Cc2nnc(C)o2)C1 ZINC000364704725 437821145 /nfs/dbraw/zinc/82/11/45/437821145.db2.gz CRDJJMFVASZFQZ-LSDHHAIUSA-N 1 2 334.420 0.965 20 30 ECEDLO C#CCCCCC(=O)N1C[C@@H](O)[C@@H]([N@@H+](CC)Cc2nnc(C)o2)C1 ZINC000364704725 437821151 /nfs/dbraw/zinc/82/11/51/437821151.db2.gz CRDJJMFVASZFQZ-LSDHHAIUSA-N 1 2 334.420 0.965 20 30 ECEDLO C=CC[C@H](CO)NC(=O)[C@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000346937469 437823602 /nfs/dbraw/zinc/82/36/02/437823602.db2.gz ACHOMFAMGJNBOF-HACGYAERSA-N 1 2 346.431 0.915 20 30 ECEDLO COC(=O)C[N@@H+]1CCCN([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000363332416 437781365 /nfs/dbraw/zinc/78/13/65/437781365.db2.gz XRJORXFRIJHGFI-KRWDZBQOSA-N 1 2 345.399 0.953 20 30 ECEDLO COC(=O)C[N@H+]1CCCN([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000363332416 437781370 /nfs/dbraw/zinc/78/13/70/437781370.db2.gz XRJORXFRIJHGFI-KRWDZBQOSA-N 1 2 345.399 0.953 20 30 ECEDLO CCN(CC)C(=O)C[NH+]1CCN([C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000345160991 437782215 /nfs/dbraw/zinc/78/22/15/437782215.db2.gz QQOQHXXOXQCKSM-OAHLLOKOSA-N 1 2 349.479 0.423 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccccc2)C1 ZINC000363493399 437795500 /nfs/dbraw/zinc/79/55/00/437795500.db2.gz PFBJEFBOAFUZHU-AWEZNQCLSA-N 1 2 337.445 0.732 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NS(=O)(=O)c2ccccc2)C1 ZINC000363493399 437795505 /nfs/dbraw/zinc/79/55/05/437795505.db2.gz PFBJEFBOAFUZHU-AWEZNQCLSA-N 1 2 337.445 0.732 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)N1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000365007670 437843652 /nfs/dbraw/zinc/84/36/52/437843652.db2.gz BBVRTDYZODENRA-UHFFFAOYSA-N 1 2 329.404 0.275 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)N1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000365007670 437843655 /nfs/dbraw/zinc/84/36/55/437843655.db2.gz BBVRTDYZODENRA-UHFFFAOYSA-N 1 2 329.404 0.275 20 30 ECEDLO C=C[C@@H](CO)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000356841922 437844567 /nfs/dbraw/zinc/84/45/67/437844567.db2.gz VQNKPIGYTVDIIM-AWEZNQCLSA-N 1 2 332.404 0.174 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000371550540 437955397 /nfs/dbraw/zinc/95/53/97/437955397.db2.gz CNKOMSBVHITNLG-GFCCVEGCSA-N 1 2 335.383 0.743 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000416660034 437983938 /nfs/dbraw/zinc/98/39/38/437983938.db2.gz IDNHQXKFAFPZRE-VXGBXAGGSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000416660034 437983941 /nfs/dbraw/zinc/98/39/41/437983941.db2.gz IDNHQXKFAFPZRE-VXGBXAGGSA-N 1 2 341.408 0.773 20 30 ECEDLO C=CCN(C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)C1CC1 ZINC000357573854 438013930 /nfs/dbraw/zinc/01/39/30/438013930.db2.gz UAFBCKDIVTZWOB-UHFFFAOYSA-N 1 2 330.436 0.959 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@@H+](CC(=O)OC)C2)nn1 ZINC000425312662 438020632 /nfs/dbraw/zinc/02/06/32/438020632.db2.gz KGKQABNAJXXURK-CYBMUJFWSA-N 1 2 335.408 0.469 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@H+](CC(=O)OC)C2)nn1 ZINC000425312662 438020637 /nfs/dbraw/zinc/02/06/37/438020637.db2.gz KGKQABNAJXXURK-CYBMUJFWSA-N 1 2 335.408 0.469 20 30 ECEDLO C=CCOc1cccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000427412704 438080495 /nfs/dbraw/zinc/08/04/95/438080495.db2.gz JTGZIOAZFCYSBO-AWEZNQCLSA-N 1 2 347.415 0.715 20 30 ECEDLO C=CCOc1cccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000427412704 438080497 /nfs/dbraw/zinc/08/04/97/438080497.db2.gz JTGZIOAZFCYSBO-AWEZNQCLSA-N 1 2 347.415 0.715 20 30 ECEDLO Cc1ccc(C(=O)NCc2c[nH+]cn2C)cc1S(=O)(=O)NCC#N ZINC000426479973 438058490 /nfs/dbraw/zinc/05/84/90/438058490.db2.gz OLPUTJMSSGZHET-UHFFFAOYSA-N 1 2 347.400 0.460 20 30 ECEDLO CN(CCCNC(=O)C[N@H+](CCC#N)CC1CC1)S(C)(=O)=O ZINC000348542908 438073740 /nfs/dbraw/zinc/07/37/40/438073740.db2.gz CZIBRIMSVZTGDZ-UHFFFAOYSA-N 1 2 330.454 0.010 20 30 ECEDLO CN(CCCNC(=O)C[N@@H+](CCC#N)CC1CC1)S(C)(=O)=O ZINC000348542908 438073749 /nfs/dbraw/zinc/07/37/49/438073749.db2.gz CZIBRIMSVZTGDZ-UHFFFAOYSA-N 1 2 330.454 0.010 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000366785228 438126623 /nfs/dbraw/zinc/12/66/23/438126623.db2.gz GHILTKLPFJJRHM-DVOMOZLQSA-N 1 2 325.409 0.657 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000366785228 438126625 /nfs/dbraw/zinc/12/66/25/438126625.db2.gz GHILTKLPFJJRHM-DVOMOZLQSA-N 1 2 325.409 0.657 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2ccc(C)o2)CC1 ZINC000373972598 438178808 /nfs/dbraw/zinc/17/88/08/438178808.db2.gz HPMIVNDXQBEUTH-BQYQJAHWSA-N 1 2 329.400 0.885 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2ccc(C)o2)CC1 ZINC000373972598 438178811 /nfs/dbraw/zinc/17/88/11/438178811.db2.gz HPMIVNDXQBEUTH-BQYQJAHWSA-N 1 2 329.400 0.885 20 30 ECEDLO Cc1nn(C)c(N2CC[NH+](C[C@@H](C)CS(C)(=O)=O)CC2)c1C#N ZINC000349886348 438187062 /nfs/dbraw/zinc/18/70/62/438187062.db2.gz WHZUJOGVTQNTTM-GFCCVEGCSA-N 1 2 339.465 0.403 20 30 ECEDLO N#CCNC(=O)CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000367732858 438242760 /nfs/dbraw/zinc/24/27/60/438242760.db2.gz DOTGFNLKXZPHPQ-OAHLLOKOSA-N 1 2 332.379 0.936 20 30 ECEDLO N#CCNC(=O)CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000367732858 438242763 /nfs/dbraw/zinc/24/27/63/438242763.db2.gz DOTGFNLKXZPHPQ-OAHLLOKOSA-N 1 2 332.379 0.936 20 30 ECEDLO CN1CCN(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)C[C@@H]1C#N ZINC000375235447 438243899 /nfs/dbraw/zinc/24/38/99/438243899.db2.gz YODTUIKODBXPLE-CABCVRRESA-N 1 2 328.420 0.900 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cc[nH+]cc1O ZINC000358321224 438200057 /nfs/dbraw/zinc/20/00/57/438200057.db2.gz APAZKTZUMFEROD-SNVBAGLBSA-N 1 2 346.368 0.386 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2nn(C(C)C)c(=O)cc2C1 ZINC000375868837 438264914 /nfs/dbraw/zinc/26/49/14/438264914.db2.gz HCHNRMOWIOJJMU-UHFFFAOYSA-N 1 2 331.420 0.944 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2nn(C(C)C)c(=O)cc2C1 ZINC000375868837 438264919 /nfs/dbraw/zinc/26/49/19/438264919.db2.gz HCHNRMOWIOJJMU-UHFFFAOYSA-N 1 2 331.420 0.944 20 30 ECEDLO N#C[C@]1(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)CCc2ccccc2C1 ZINC000376167691 438272156 /nfs/dbraw/zinc/27/21/56/438272156.db2.gz SGSKVAMGHZMHNA-MJGOQNOKSA-N 1 2 343.427 0.495 20 30 ECEDLO CCOC(=O)COCC[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000351710937 438324562 /nfs/dbraw/zinc/32/45/62/438324562.db2.gz WQWHWXLUFFSQHY-UGSOOPFHSA-N 1 2 343.383 0.912 20 30 ECEDLO CCOC(=O)COCC[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000351710937 438324568 /nfs/dbraw/zinc/32/45/68/438324568.db2.gz WQWHWXLUFFSQHY-UGSOOPFHSA-N 1 2 343.383 0.912 20 30 ECEDLO C#CCSCCNC(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000378062070 438344489 /nfs/dbraw/zinc/34/44/89/438344489.db2.gz UIYFCPFDZAKQTC-AWEZNQCLSA-N 1 2 338.477 0.349 20 30 ECEDLO CNC(=O)C[N@@H+]1CCCN([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000368828817 438383531 /nfs/dbraw/zinc/38/35/31/438383531.db2.gz HJJFMGHVKUCRQA-AWEZNQCLSA-N 1 2 343.431 0.639 20 30 ECEDLO CNC(=O)C[N@H+]1CCCN([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000368828817 438383540 /nfs/dbraw/zinc/38/35/40/438383540.db2.gz HJJFMGHVKUCRQA-AWEZNQCLSA-N 1 2 343.431 0.639 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@@H](C(=O)OC)C(C)C)C1=O ZINC000352106500 438384415 /nfs/dbraw/zinc/38/44/15/438384415.db2.gz WTMIFNUMZBMEQW-TZMCWYRMSA-N 1 2 325.409 0.019 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@@H](C(=O)OC)C(C)C)C1=O ZINC000352106500 438384417 /nfs/dbraw/zinc/38/44/17/438384417.db2.gz WTMIFNUMZBMEQW-TZMCWYRMSA-N 1 2 325.409 0.019 20 30 ECEDLO CSc1c(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cnn1C ZINC000359429172 438434126 /nfs/dbraw/zinc/43/41/26/438434126.db2.gz AJBDUCWYXUVYBQ-UHFFFAOYSA-N 1 2 337.449 0.830 20 30 ECEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H](C)CC#N ZINC000438883266 438489622 /nfs/dbraw/zinc/48/96/22/438489622.db2.gz OUGAUAABHCBQAZ-LLVKDONJSA-N 1 2 331.376 0.584 20 30 ECEDLO CC(C)(CC#N)CNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000422357852 438557819 /nfs/dbraw/zinc/55/78/19/438557819.db2.gz BLAXVCMQKSYWEE-CYBMUJFWSA-N 1 2 329.404 0.833 20 30 ECEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H]3CS(N)(=O)=O)o2)c1 ZINC000440647435 438558932 /nfs/dbraw/zinc/55/89/32/438558932.db2.gz HHHXTPCPDWXTGN-ZDUSSCGKSA-N 1 2 347.400 0.861 20 30 ECEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H]3CS(N)(=O)=O)o2)c1 ZINC000440647435 438558934 /nfs/dbraw/zinc/55/89/34/438558934.db2.gz HHHXTPCPDWXTGN-ZDUSSCGKSA-N 1 2 347.400 0.861 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1nnn(CC(F)(F)F)n1 ZINC000440770264 438564055 /nfs/dbraw/zinc/56/40/55/438564055.db2.gz IKZHRJWCQBHDMZ-UHFFFAOYSA-N 1 2 347.345 0.283 20 30 ECEDLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(F)cc1C#N ZINC000452102542 438639911 /nfs/dbraw/zinc/63/99/11/438639911.db2.gz IGRLTGJXPLWUIU-NSHDSACASA-N 1 2 327.381 0.384 20 30 ECEDLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(F)cc1C#N ZINC000452102542 438639915 /nfs/dbraw/zinc/63/99/15/438639915.db2.gz IGRLTGJXPLWUIU-NSHDSACASA-N 1 2 327.381 0.384 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2)C[C@H](C)[N@H+]1CCO ZINC000451888813 438611200 /nfs/dbraw/zinc/61/12/00/438611200.db2.gz JGVZNPWSOUTURR-OKILXGFUSA-N 1 2 337.445 0.775 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2)C[C@H](C)[N@@H+]1CCO ZINC000451888813 438611205 /nfs/dbraw/zinc/61/12/05/438611205.db2.gz JGVZNPWSOUTURR-OKILXGFUSA-N 1 2 337.445 0.775 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000411691631 438679651 /nfs/dbraw/zinc/67/96/51/438679651.db2.gz JMESISUFUJPJBP-ZDUSSCGKSA-N 1 2 342.465 0.247 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000411691631 438679655 /nfs/dbraw/zinc/67/96/55/438679655.db2.gz JMESISUFUJPJBP-ZDUSSCGKSA-N 1 2 342.465 0.247 20 30 ECEDLO C=CCn1c(-c2nnn(C)c2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC000453412805 438683099 /nfs/dbraw/zinc/68/30/99/438683099.db2.gz IUCUSOSGMDJNIJ-UHFFFAOYSA-N 1 2 346.439 0.336 20 30 ECEDLO C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@@](C)(c2ccccc2F)C1=O ZINC000414130311 438699025 /nfs/dbraw/zinc/69/90/25/438699025.db2.gz JIFVDFBJVKHJLT-PXAZEXFGSA-N 1 2 348.378 0.799 20 30 ECEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@@](C)(c2ccccc2F)C1=O ZINC000414130311 438699026 /nfs/dbraw/zinc/69/90/26/438699026.db2.gz JIFVDFBJVKHJLT-PXAZEXFGSA-N 1 2 348.378 0.799 20 30 ECEDLO C[N@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000414101217 438699287 /nfs/dbraw/zinc/69/92/87/438699287.db2.gz TUGBPKQVMSGCCL-WMLDXEAASA-N 1 2 330.388 0.660 20 30 ECEDLO C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000414101217 438699292 /nfs/dbraw/zinc/69/92/92/438699292.db2.gz TUGBPKQVMSGCCL-WMLDXEAASA-N 1 2 330.388 0.660 20 30 ECEDLO COc1ccccc1-n1nnnc1SC[C@H](O)C[N@H+](C)CCC#N ZINC000414109107 438699831 /nfs/dbraw/zinc/69/98/31/438699831.db2.gz MWMSFTGDZCWQHC-GFCCVEGCSA-N 1 2 348.432 0.969 20 30 ECEDLO COc1ccccc1-n1nnnc1SC[C@H](O)C[N@@H+](C)CCC#N ZINC000414109107 438699835 /nfs/dbraw/zinc/69/98/35/438699835.db2.gz MWMSFTGDZCWQHC-GFCCVEGCSA-N 1 2 348.432 0.969 20 30 ECEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)NC(=O)NC2CC2)CC1 ZINC000554566138 438767015 /nfs/dbraw/zinc/76/70/15/438767015.db2.gz XQXUELFXKUDWRU-UHFFFAOYSA-N 1 2 327.388 0.927 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000554518549 438767075 /nfs/dbraw/zinc/76/70/75/438767075.db2.gz WFHIVUWEPCZBDU-GJZGRUSLSA-N 1 2 344.481 0.700 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000497256058 438785795 /nfs/dbraw/zinc/78/57/95/438785795.db2.gz BYHDBNKNELVUFQ-GUYCJALGSA-N 1 2 341.452 0.981 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000497256058 438785798 /nfs/dbraw/zinc/78/57/98/438785798.db2.gz BYHDBNKNELVUFQ-GUYCJALGSA-N 1 2 341.452 0.981 20 30 ECEDLO N#CCCCCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000576657632 438792078 /nfs/dbraw/zinc/79/20/78/438792078.db2.gz NCAONYDLTMITOU-CABCVRRESA-N 1 2 336.436 0.556 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cnn(C(F)F)c1 ZINC000601023476 438810894 /nfs/dbraw/zinc/81/08/94/438810894.db2.gz HYOXBSPDJKFLJA-UHFFFAOYSA-N 1 2 327.335 0.966 20 30 ECEDLO N#CCCN1CCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000601262764 438836884 /nfs/dbraw/zinc/83/68/84/438836884.db2.gz YCKPEJKNEZQQKA-OAHLLOKOSA-N 1 2 330.436 0.721 20 30 ECEDLO Cn1cc[nH+]c1C[C@H](NC(=O)NCC(=O)NCC#N)c1ccccc1 ZINC000588747631 438838092 /nfs/dbraw/zinc/83/80/92/438838092.db2.gz XMUTYQVXSZRGAF-AWEZNQCLSA-N 1 2 340.387 0.643 20 30 ECEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCSC[C@H]1C#N ZINC000564617652 438875007 /nfs/dbraw/zinc/87/50/07/438875007.db2.gz JBVGXNXXAXKAID-ZIAGYGMSSA-N 1 2 349.460 0.951 20 30 ECEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCSC[C@H]1C#N ZINC000564617652 438875012 /nfs/dbraw/zinc/87/50/12/438875012.db2.gz JBVGXNXXAXKAID-ZIAGYGMSSA-N 1 2 349.460 0.951 20 30 ECEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)[C@H]1C[N@H+](C)CCO1 ZINC000589902016 438889079 /nfs/dbraw/zinc/88/90/79/438889079.db2.gz NIDMYVAXGXJUAL-IINYFYTJSA-N 1 2 327.381 0.695 20 30 ECEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000589902016 438889084 /nfs/dbraw/zinc/88/90/84/438889084.db2.gz NIDMYVAXGXJUAL-IINYFYTJSA-N 1 2 327.381 0.695 20 30 ECEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccccc1C(=O)N1CCOCC1 ZINC000565063128 438910894 /nfs/dbraw/zinc/91/08/94/438910894.db2.gz UOSTZCPTFMHNCK-OAHLLOKOSA-N 1 2 347.415 0.744 20 30 ECEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccccc1C(=O)N1CCOCC1 ZINC000565063128 438910897 /nfs/dbraw/zinc/91/08/97/438910897.db2.gz UOSTZCPTFMHNCK-OAHLLOKOSA-N 1 2 347.415 0.744 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000578337740 438916372 /nfs/dbraw/zinc/91/63/72/438916372.db2.gz PSPSUCDJZQWARN-GHMZBOCLSA-N 1 2 347.400 0.826 20 30 ECEDLO C=C(C)C[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)C(=O)OC ZINC000601501549 438918974 /nfs/dbraw/zinc/91/89/74/438918974.db2.gz CMKKZWHANPXNPL-ZDUSSCGKSA-N 1 2 334.438 0.136 20 30 ECEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2c(C#N)cnn2C)CC1 ZINC000596106460 438924849 /nfs/dbraw/zinc/92/48/49/438924849.db2.gz DBWUNQITVPYIBD-CYBMUJFWSA-N 1 2 330.436 0.861 20 30 ECEDLO Cn1cc(CCn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)cn1 ZINC000596284877 438951024 /nfs/dbraw/zinc/95/10/24/438951024.db2.gz GVLCFUNLBRUJJK-UHFFFAOYSA-N 1 2 327.388 0.528 20 30 ECEDLO N#CCCN(C(=O)C[N@@H+]1C[C@@H](O)[C@H](CO)C1)c1cccc(Cl)c1 ZINC000459708664 438989053 /nfs/dbraw/zinc/98/90/53/438989053.db2.gz RNJHFMXCTMKJLY-SWLSCSKDSA-N 1 2 337.807 0.872 20 30 ECEDLO N#CCCN(C(=O)C[N@H+]1C[C@@H](O)[C@H](CO)C1)c1cccc(Cl)c1 ZINC000459708664 438989056 /nfs/dbraw/zinc/98/90/56/438989056.db2.gz RNJHFMXCTMKJLY-SWLSCSKDSA-N 1 2 337.807 0.872 20 30 ECEDLO N#CC[C@H]1CCCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000596750911 438997183 /nfs/dbraw/zinc/99/71/83/438997183.db2.gz YJGMKVHXHCUSAP-OAHLLOKOSA-N 1 2 346.435 1.373 20 30 ECEDLO C=C(C)CN(CC)C(=O)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000459821484 439007785 /nfs/dbraw/zinc/00/77/85/439007785.db2.gz LBADFUIOYTUQHS-UHFFFAOYSA-N 1 2 333.436 0.489 20 30 ECEDLO N#CCC(=O)N1CCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000602120395 439013892 /nfs/dbraw/zinc/01/38/92/439013892.db2.gz DOIAWIRUKOBTIJ-NSHDSACASA-N 1 2 343.309 0.961 20 30 ECEDLO CO[C@@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)[C@H]1CCOC1 ZINC000597023723 439030675 /nfs/dbraw/zinc/03/06/75/439030675.db2.gz ZKGXBJNJIPMIFU-LSDHHAIUSA-N 1 2 325.409 0.112 20 30 ECEDLO N#CCCN1CCN(C(=O)C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000602224343 439041522 /nfs/dbraw/zinc/04/15/22/439041522.db2.gz GSWACFBPKHRYCA-UHFFFAOYSA-N 1 2 340.387 0.008 20 30 ECEDLO CC(C)(C)n1ncnc1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000520570109 439088551 /nfs/dbraw/zinc/08/85/51/439088551.db2.gz NETPHVYIFAXGIT-UHFFFAOYSA-N 1 2 348.432 0.863 20 30 ECEDLO COc1ccc(CCNC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1OC ZINC000592148468 439167873 /nfs/dbraw/zinc/16/78/73/439167873.db2.gz VLAYTUXADGBOHP-SFHVURJKSA-N 1 2 347.415 0.713 20 30 ECEDLO COc1ccc(CCNC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)cc1OC ZINC000592148468 439167877 /nfs/dbraw/zinc/16/78/77/439167877.db2.gz VLAYTUXADGBOHP-SFHVURJKSA-N 1 2 347.415 0.713 20 30 ECEDLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000592197047 439177780 /nfs/dbraw/zinc/17/77/80/439177780.db2.gz LMECKVYGDAHYJD-KBPBESRZSA-N 1 2 342.355 0.964 20 30 ECEDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000592197047 439177785 /nfs/dbraw/zinc/17/77/85/439177785.db2.gz LMECKVYGDAHYJD-KBPBESRZSA-N 1 2 342.355 0.964 20 30 ECEDLO CCOC(=O)[C@@]1(C)C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000603001845 439179700 /nfs/dbraw/zinc/17/97/00/439179700.db2.gz UPBWMXLWLIDJQU-CRAIPNDOSA-N 1 2 348.399 0.952 20 30 ECEDLO CCOC(=O)[C@@]1(C)C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000603001845 439179702 /nfs/dbraw/zinc/17/97/02/439179702.db2.gz UPBWMXLWLIDJQU-CRAIPNDOSA-N 1 2 348.399 0.952 20 30 ECEDLO N#CC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000597910964 439197287 /nfs/dbraw/zinc/19/72/87/439197287.db2.gz DKQPEVZWWVXQAI-JKSUJKDBSA-N 1 2 348.447 0.319 20 30 ECEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000597935883 439198838 /nfs/dbraw/zinc/19/88/38/439198838.db2.gz IJEIHGXNQAABSD-CQSZACIVSA-N 1 2 334.445 0.989 20 30 ECEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000597935883 439198842 /nfs/dbraw/zinc/19/88/42/439198842.db2.gz IJEIHGXNQAABSD-CQSZACIVSA-N 1 2 334.445 0.989 20 30 ECEDLO C[N@H+](CCO)Cc1cn(CC(=O)N(CCC#N)c2ccccc2)nn1 ZINC000603167248 439200065 /nfs/dbraw/zinc/20/00/65/439200065.db2.gz WKCZCDFVVIADMQ-UHFFFAOYSA-N 1 2 342.403 0.649 20 30 ECEDLO C[N@@H+](CCO)Cc1cn(CC(=O)N(CCC#N)c2ccccc2)nn1 ZINC000603167248 439200070 /nfs/dbraw/zinc/20/00/70/439200070.db2.gz WKCZCDFVVIADMQ-UHFFFAOYSA-N 1 2 342.403 0.649 20 30 ECEDLO CN(C(=O)Cn1cc([C@@H]2COCC[NH2+]2)nn1)C1(C#N)CCCCC1 ZINC000603179914 439202836 /nfs/dbraw/zinc/20/28/36/439202836.db2.gz OCYAOLAPZOGMRJ-AWEZNQCLSA-N 1 2 332.408 0.624 20 30 ECEDLO N#CCCc1cn(CC(=O)N2CC[NH+](Cc3ccco3)CC2)nn1 ZINC000603215299 439211737 /nfs/dbraw/zinc/21/17/37/439211737.db2.gz GMRLRZHKQAUCHZ-UHFFFAOYSA-N 1 2 328.376 0.672 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccnc2N(C)C)CC1 ZINC000490651483 439282457 /nfs/dbraw/zinc/28/24/57/439282457.db2.gz SRSOJZNQQYMCIX-UHFFFAOYSA-N 1 2 343.431 0.045 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccnc2N(C)C)CC1 ZINC000490651483 439282462 /nfs/dbraw/zinc/28/24/62/439282462.db2.gz SRSOJZNQQYMCIX-UHFFFAOYSA-N 1 2 343.431 0.045 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCOC[C@@H]2c2nc(C)cs2)CC1 ZINC000491039159 439323337 /nfs/dbraw/zinc/32/33/37/439323337.db2.gz NXEICOQZVQHNON-OAHLLOKOSA-N 1 2 348.472 0.602 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2nc(CC)oc2C)CC1 ZINC000491070623 439327785 /nfs/dbraw/zinc/32/77/85/439327785.db2.gz DMRVWUQKELCTDV-UHFFFAOYSA-N 1 2 332.404 0.443 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2nc(CC)oc2C)CC1 ZINC000491070623 439327791 /nfs/dbraw/zinc/32/77/91/439327791.db2.gz DMRVWUQKELCTDV-UHFFFAOYSA-N 1 2 332.404 0.443 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CCOc2ccccc2OC)CC1 ZINC000491126568 439336146 /nfs/dbraw/zinc/33/61/46/439336146.db2.gz PXABIYPLTBIHGC-UHFFFAOYSA-N 1 2 331.416 0.441 20 30 ECEDLO C#CCN(C(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)C1CCCC1 ZINC000491128050 439338127 /nfs/dbraw/zinc/33/81/27/439338127.db2.gz YYQCTNLBBVYGNP-LSDHHAIUSA-N 1 2 335.448 0.616 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CON=CC(=O)Nc2ccc(F)cc2)CC1 ZINC000490759689 439296136 /nfs/dbraw/zinc/29/61/36/439296136.db2.gz DYFKKTGSHPVUTN-UHFFFAOYSA-N 1 2 346.362 0.544 20 30 ECEDLO C[N@@H+]1CCC[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC000604199215 439300111 /nfs/dbraw/zinc/30/01/11/439300111.db2.gz OTMVNXNVEKMIOM-OAHLLOKOSA-N 1 2 335.429 0.683 20 30 ECEDLO C[N@H+]1CCC[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC000604199215 439300118 /nfs/dbraw/zinc/30/01/18/439300118.db2.gz OTMVNXNVEKMIOM-OAHLLOKOSA-N 1 2 335.429 0.683 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H](OCC)C(C)C)CC1 ZINC000490804259 439300955 /nfs/dbraw/zinc/30/09/55/439300955.db2.gz VVXOHTZXMNMPAK-INIZCTEOSA-N 1 2 337.464 0.721 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](OCC)C(C)C)CC1 ZINC000490804259 439300959 /nfs/dbraw/zinc/30/09/59/439300959.db2.gz VVXOHTZXMNMPAK-INIZCTEOSA-N 1 2 337.464 0.721 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCC(=O)N(C)c3ccccc32)CC1 ZINC000490866736 439305176 /nfs/dbraw/zinc/30/51/76/439305176.db2.gz STUIPNHSUBEQFL-UHFFFAOYSA-N 1 2 340.427 0.637 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC(=O)[C@H](C)C2)CC1 ZINC000490899890 439309539 /nfs/dbraw/zinc/30/95/39/439309539.db2.gz QVNICMSUKULMRX-HUUCEWRRSA-N 1 2 333.432 0.275 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC(=O)[C@H](C)C2)CC1 ZINC000490899890 439309544 /nfs/dbraw/zinc/30/95/44/439309544.db2.gz QVNICMSUKULMRX-HUUCEWRRSA-N 1 2 333.432 0.275 20 30 ECEDLO CS(=O)(=O)[C@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528493325 439341362 /nfs/dbraw/zinc/34/13/62/439341362.db2.gz XJMWISRUYRATJO-ZDUSSCGKSA-N 1 2 346.408 0.405 20 30 ECEDLO CS(=O)(=O)[C@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528493325 439341369 /nfs/dbraw/zinc/34/13/69/439341369.db2.gz XJMWISRUYRATJO-ZDUSSCGKSA-N 1 2 346.408 0.405 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000491210787 439349814 /nfs/dbraw/zinc/34/98/14/439349814.db2.gz YUBAVZGVIYFMFR-UHFFFAOYSA-N 1 2 337.427 0.739 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000491210787 439349819 /nfs/dbraw/zinc/34/98/19/439349819.db2.gz YUBAVZGVIYFMFR-UHFFFAOYSA-N 1 2 337.427 0.739 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@H](C)C(=O)Nc3ccccc32)CC1 ZINC000491315464 439367135 /nfs/dbraw/zinc/36/71/35/439367135.db2.gz NKLOLTWTENOHRV-HNNXBMFYSA-N 1 2 340.427 0.859 20 30 ECEDLO C#C[C@H](CCC)NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000491394782 439376031 /nfs/dbraw/zinc/37/60/31/439376031.db2.gz OCVIUVADIBUWPD-OAHLLOKOSA-N 1 2 330.436 0.700 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)CC1 ZINC000491525728 439402318 /nfs/dbraw/zinc/40/23/18/439402318.db2.gz UVJWACILBIILKZ-JKSUJKDBSA-N 1 2 338.473 0.900 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](CN2C(=O)C[C@@]3(CCSC3)C2=O)CC1 ZINC000491623002 439412949 /nfs/dbraw/zinc/41/29/49/439412949.db2.gz HNGVXGYNMAKQEU-QGZVFWFLSA-N 1 2 349.456 0.288 20 30 ECEDLO C#C[C@@H]1COCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000491634607 439416709 /nfs/dbraw/zinc/41/67/09/439416709.db2.gz UGPVJAVRQFDXSI-CABCVRRESA-N 1 2 332.404 0.344 20 30 ECEDLO C#C[C@@H]1COCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000491634607 439416714 /nfs/dbraw/zinc/41/67/14/439416714.db2.gz UGPVJAVRQFDXSI-CABCVRRESA-N 1 2 332.404 0.344 20 30 ECEDLO C#C[C@H](CO)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000491709968 439433602 /nfs/dbraw/zinc/43/36/02/439433602.db2.gz RPDXFXXYJYOMJH-LLVKDONJSA-N 1 2 332.219 0.807 20 30 ECEDLO C#CCNC(=O)CN1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000491734164 439436326 /nfs/dbraw/zinc/43/63/26/439436326.db2.gz NOMZPJGVDDDVFU-OAHLLOKOSA-N 1 2 331.420 0.118 20 30 ECEDLO C#C[C@@H](NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)C(C)(C)C ZINC000491728314 439436572 /nfs/dbraw/zinc/43/65/72/439436572.db2.gz AVAGDEKKLNMHHU-OAHLLOKOSA-N 1 2 344.463 0.946 20 30 ECEDLO C#C[C@H](NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)C(C)(C)C ZINC000491728310 439436904 /nfs/dbraw/zinc/43/69/04/439436904.db2.gz AVAGDEKKLNMHHU-HNNXBMFYSA-N 1 2 344.463 0.946 20 30 ECEDLO CCN1C(=O)CO[C@H](C(=O)NCCCCC#N)[C@H]1c1[nH+]ccn1C ZINC000599341005 439442919 /nfs/dbraw/zinc/44/29/19/439442919.db2.gz IPSFFDYQHAGVTH-KBPBESRZSA-N 1 2 333.392 0.519 20 30 ECEDLO COC(=O)c1cnc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)cn1 ZINC000599359495 439446816 /nfs/dbraw/zinc/44/68/16/439446816.db2.gz CAHZGDVNSQOJAP-UHFFFAOYSA-N 1 2 338.371 0.852 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(CCO)cc2OCC)CC1 ZINC000491783538 439448925 /nfs/dbraw/zinc/44/89/25/439448925.db2.gz JWMRULXNDPZXTL-UHFFFAOYSA-N 1 2 346.427 0.776 20 30 ECEDLO Cc1cc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)n(CCC#N)n1 ZINC000533321816 439525370 /nfs/dbraw/zinc/52/53/70/439525370.db2.gz YOESBHNYGQWUDM-UHFFFAOYSA-N 1 2 330.392 0.350 20 30 ECEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCO[C@@H](CC(N)=O)C3)C2=O)cc1 ZINC000599664011 439531857 /nfs/dbraw/zinc/53/18/57/439531857.db2.gz KOLNPBXDOVZYKA-HOTGVXAUSA-N 1 2 342.399 0.630 20 30 ECEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCO[C@@H](CC(N)=O)C3)C2=O)cc1 ZINC000599664011 439531862 /nfs/dbraw/zinc/53/18/62/439531862.db2.gz KOLNPBXDOVZYKA-HOTGVXAUSA-N 1 2 342.399 0.630 20 30 ECEDLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676583 439535149 /nfs/dbraw/zinc/53/51/49/439535149.db2.gz USAFMQVSBFZPOL-ZDUSSCGKSA-N 1 2 344.415 0.971 20 30 ECEDLO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676583 439535154 /nfs/dbraw/zinc/53/51/54/439535154.db2.gz USAFMQVSBFZPOL-ZDUSSCGKSA-N 1 2 344.415 0.971 20 30 ECEDLO N#Cc1ccc(CNC(=O)CN2CCC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000572012254 439550619 /nfs/dbraw/zinc/55/06/19/439550619.db2.gz MSVGVODRMJCGRK-SFHVURJKSA-N 1 2 342.443 0.971 20 30 ECEDLO COC(=O)CN(CC#N)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000492694773 439561773 /nfs/dbraw/zinc/56/17/73/439561773.db2.gz DCMCFHWWDPRANL-UHFFFAOYSA-N 1 2 340.424 0.538 20 30 ECEDLO COCCN(CCC#N)S(=O)(=O)NCCc1[nH+]cc(C)cc1C ZINC000594476735 439567875 /nfs/dbraw/zinc/56/78/75/439567875.db2.gz YJKXFESJRHMBDR-UHFFFAOYSA-N 1 2 340.449 0.937 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000610085600 439598076 /nfs/dbraw/zinc/59/80/76/439598076.db2.gz YJLXIYCXLNWVKT-UHFFFAOYSA-N 1 2 349.391 0.927 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cc2)[C@H](C)CO1 ZINC000595126237 439658834 /nfs/dbraw/zinc/65/88/34/439658834.db2.gz NETRVXMDEGFOBN-CHWSQXEVSA-N 1 2 330.388 0.722 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cc2)[C@H](C)CO1 ZINC000595126237 439658839 /nfs/dbraw/zinc/65/88/39/439658839.db2.gz NETRVXMDEGFOBN-CHWSQXEVSA-N 1 2 330.388 0.722 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cccc(CC#N)c2)[C@@H](C)CO1 ZINC000595126839 439659239 /nfs/dbraw/zinc/65/92/39/439659239.db2.gz VZDLZAPYOKAXFY-UONOGXRCSA-N 1 2 344.415 0.917 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cccc(CC#N)c2)[C@@H](C)CO1 ZINC000595126839 439659242 /nfs/dbraw/zinc/65/92/42/439659242.db2.gz VZDLZAPYOKAXFY-UONOGXRCSA-N 1 2 344.415 0.917 20 30 ECEDLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000611020524 439665957 /nfs/dbraw/zinc/66/59/57/439665957.db2.gz LZKIOZLVAMJADN-LLVKDONJSA-N 1 2 327.381 0.384 20 30 ECEDLO COCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000587675386 439667341 /nfs/dbraw/zinc/66/73/41/439667341.db2.gz YACWWQDPKISVQZ-AWEZNQCLSA-N 1 2 344.415 0.526 20 30 ECEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)CC1(C#N)CC1)C(C)(C)CO ZINC000584850432 439623726 /nfs/dbraw/zinc/62/37/26/439623726.db2.gz PKBOOLMVWDBQMH-NSHDSACASA-N 1 2 326.422 0.703 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cnccc1C#N ZINC000600231789 439626379 /nfs/dbraw/zinc/62/63/79/439626379.db2.gz GLCFPMZAGBMCQU-KRWDZBQOSA-N 1 2 330.388 0.299 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cnccc1C#N ZINC000600231789 439626381 /nfs/dbraw/zinc/62/63/81/439626381.db2.gz GLCFPMZAGBMCQU-KRWDZBQOSA-N 1 2 330.388 0.299 20 30 ECEDLO N#Cc1cccnc1N1CC[NH+](CC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000611169790 439677000 /nfs/dbraw/zinc/67/70/00/439677000.db2.gz CFYFSLUJHIYNMR-CQSZACIVSA-N 1 2 334.445 0.900 20 30 ECEDLO C[C@H](C(=O)NC(=O)NCc1ccccc1)[NH+]1CCN(CCC#N)CC1 ZINC000611174092 439677675 /nfs/dbraw/zinc/67/76/75/439677675.db2.gz DCFNNETUNYWKCH-OAHLLOKOSA-N 1 2 343.431 0.932 20 30 ECEDLO Cn1c[nH+]cc1CS(=O)(=O)C[C@H](O)COc1ccccc1C#N ZINC000600659511 439685567 /nfs/dbraw/zinc/68/55/67/439685567.db2.gz FNJWFAHKDGSDRY-CQSZACIVSA-N 1 2 335.385 0.646 20 30 ECEDLO CC(C)[C@H](C#N)N1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000611432200 439696525 /nfs/dbraw/zinc/69/65/25/439696525.db2.gz SKPWVMPAWHNHPL-HNNXBMFYSA-N 1 2 333.392 0.922 20 30 ECEDLO CS(=O)(=O)N1CC[NH+](CCNc2nc3ccccn3c2C#N)CC1 ZINC000611746225 439726480 /nfs/dbraw/zinc/72/64/80/439726480.db2.gz VPJRNGHPSHXIKM-UHFFFAOYSA-N 1 2 348.432 0.195 20 30 ECEDLO C=CCOCCCNC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612037546 439744791 /nfs/dbraw/zinc/74/47/91/439744791.db2.gz OMWXKVRHBKBUST-KFWWJZLASA-N 1 2 341.452 0.309 20 30 ECEDLO C=CCOCCCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612037546 439744792 /nfs/dbraw/zinc/74/47/92/439744792.db2.gz OMWXKVRHBKBUST-KFWWJZLASA-N 1 2 341.452 0.309 20 30 ECEDLO C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631781444 439922995 /nfs/dbraw/zinc/92/29/95/439922995.db2.gz KHCPGPINAOPXJR-LBPRGKRZSA-N 1 2 336.479 0.086 20 30 ECEDLO C=CC[C@H]1CCCN(C(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000658678860 440063420 /nfs/dbraw/zinc/06/34/20/440063420.db2.gz ZRNJGCVRUGNPTP-CVEARBPZSA-N 1 2 337.464 0.980 20 30 ECEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000658812145 440130392 /nfs/dbraw/zinc/13/03/92/440130392.db2.gz XICBDOYJDCOHHZ-HZPDHXFCSA-N 1 2 335.448 0.734 20 30 ECEDLO C=CCCn1cc(CN2CC[NH+](CC(=O)N(CC)CC)CC2)nn1 ZINC000653485121 440190612 /nfs/dbraw/zinc/19/06/12/440190612.db2.gz YEFJWDUDQIMYPP-UHFFFAOYSA-N 1 2 334.468 0.840 20 30 ECEDLO CC#CC[C@H](CO)NC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000649186406 440410028 /nfs/dbraw/zinc/41/00/28/440410028.db2.gz YQBKHSGRNVGNNX-MRXNPFEDSA-N 1 2 346.427 0.952 20 30 ECEDLO CC#CC[C@H](CO)NC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000649186406 440410036 /nfs/dbraw/zinc/41/00/36/440410036.db2.gz YQBKHSGRNVGNNX-MRXNPFEDSA-N 1 2 346.427 0.952 20 30 ECEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000628575478 440506278 /nfs/dbraw/zinc/50/62/78/440506278.db2.gz JZOSTKPMUUTCPJ-WMZOPIPTSA-N 1 2 340.464 0.947 20 30 ECEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000628575478 440506282 /nfs/dbraw/zinc/50/62/82/440506282.db2.gz JZOSTKPMUUTCPJ-WMZOPIPTSA-N 1 2 340.464 0.947 20 30 ECEDLO C=CCn1c(Cc2cc(C)n[nH]2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000634337704 440644486 /nfs/dbraw/zinc/64/44/86/440644486.db2.gz HJKGLVUXTRRKFU-OAHLLOKOSA-N 1 2 343.435 0.607 20 30 ECEDLO C=CCn1c(Cc2cc(C)n[nH]2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000634337704 440644493 /nfs/dbraw/zinc/64/44/93/440644493.db2.gz HJKGLVUXTRRKFU-OAHLLOKOSA-N 1 2 343.435 0.607 20 30 ECEDLO CC#CC[C@H](CO)Nc1nc(N[C@H](CO)CC#CC)c(Cl)c[nH+]1 ZINC000645405245 440801666 /nfs/dbraw/zinc/80/16/66/440801666.db2.gz ZNTGMXUOYSUZSY-QWHCGFSZSA-N 1 2 336.823 1.502 20 30 ECEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCOC[C@H]2CO)c(OC)c1 ZINC000661566471 440880337 /nfs/dbraw/zinc/88/03/37/440880337.db2.gz FHHQFUVLIWMZRT-HZPDHXFCSA-N 1 2 337.416 0.857 20 30 ECEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCOC[C@H]2CO)c(OC)c1 ZINC000661566471 440880341 /nfs/dbraw/zinc/88/03/41/440880341.db2.gz FHHQFUVLIWMZRT-HZPDHXFCSA-N 1 2 337.416 0.857 20 30 ECEDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2ncc(C#N)cc2C)CC1 ZINC000556474195 322191883 /nfs/dbraw/zinc/19/18/83/322191883.db2.gz BDENFXWDBOQCLV-CYBMUJFWSA-N 1 2 330.388 0.971 20 30 ECEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c1C#N ZINC000559551422 322221628 /nfs/dbraw/zinc/22/16/28/322221628.db2.gz DRMBPODYSMNGLX-KRWDZBQOSA-N 1 2 342.355 0.519 20 30 ECEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c1C#N ZINC000559551422 322221630 /nfs/dbraw/zinc/22/16/30/322221630.db2.gz DRMBPODYSMNGLX-KRWDZBQOSA-N 1 2 342.355 0.519 20 30 ECEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(N3CN=NC3=O)CC2)cc1 ZINC000564736462 322391230 /nfs/dbraw/zinc/39/12/30/322391230.db2.gz OYNBTEYVVAOQRP-CQSZACIVSA-N 1 2 326.360 0.719 20 30 ECEDLO Cc1cnn(CCn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)c1 ZINC000565241006 322444905 /nfs/dbraw/zinc/44/49/05/322444905.db2.gz MSOMIIXIADGVLN-UHFFFAOYSA-N 1 2 327.388 0.757 20 30 ECEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2ccc(C#N)c(N)n2)CC1 ZINC000569355489 322651851 /nfs/dbraw/zinc/65/18/51/322651851.db2.gz OSWTYIREBUUUKA-CYBMUJFWSA-N 1 2 328.420 0.668 20 30 ECEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1cccc(C#N)n1 ZINC000573367779 322760831 /nfs/dbraw/zinc/76/08/31/322760831.db2.gz PBOMBFLWHVYYRZ-JSGCOSHPSA-N 1 2 343.387 0.213 20 30 ECEDLO C[C@@H](C(=O)NC(=O)NC1CC1)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000329107603 546014495 /nfs/dbraw/zinc/01/44/95/546014495.db2.gz DXDIDCZVJOJFSE-LBPRGKRZSA-N 1 2 334.424 0.959 20 30 ECEDLO C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCN(Cc2cnn(C)c2)CC1 ZINC000329107603 546014500 /nfs/dbraw/zinc/01/45/00/546014500.db2.gz DXDIDCZVJOJFSE-LBPRGKRZSA-N 1 2 334.424 0.959 20 30 ECEDLO C[C@H](CNS(=O)(=O)c1cccc(CC#N)c1)C[NH+]1CCOCC1 ZINC000619485280 546333364 /nfs/dbraw/zinc/33/33/64/546333364.db2.gz ZXXLDEMNGSSDAT-CQSZACIVSA-N 1 2 337.445 0.999 20 30 ECEDLO CCOC1CC(CNC(=O)NCC2(C#N)CC2)([NH+]2CCOCC2)C1 ZINC000619531926 546338810 /nfs/dbraw/zinc/33/88/10/546338810.db2.gz GJSIHEFNWVYHMZ-UHFFFAOYSA-N 1 2 336.436 0.859 20 30 ECEDLO C=CCCCS(=O)(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000625376590 547082484 /nfs/dbraw/zinc/08/24/84/547082484.db2.gz RAGWFCZWNFMUDX-OAHLLOKOSA-N 1 2 332.466 0.488 20 30 ECEDLO C=CCCCS(=O)(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000625376590 547082488 /nfs/dbraw/zinc/08/24/88/547082488.db2.gz RAGWFCZWNFMUDX-OAHLLOKOSA-N 1 2 332.466 0.488 20 30 ECEDLO C=CCN1CC[C@@H](N2CCc3[nH+]c[nH]c3[C@@H]2c2ccnn2C)C1=O ZINC000625499886 547124901 /nfs/dbraw/zinc/12/49/01/547124901.db2.gz NRKFMOYTLWAABA-ZBFHGGJFSA-N 1 2 326.404 0.878 20 30 ECEDLO C=C[C@@](C)(O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000667369534 547505267 /nfs/dbraw/zinc/50/52/67/547505267.db2.gz XQBXUAXNOCGURO-GOSISDBHSA-N 1 2 334.416 0.951 20 30 ECEDLO C=CCCOCCNC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673281583 548475672 /nfs/dbraw/zinc/47/56/72/548475672.db2.gz JLXYEZIGTAYDEG-MRXNPFEDSA-N 1 2 331.416 0.998 20 30 ECEDLO C=CCCOCCNC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000673281583 548475673 /nfs/dbraw/zinc/47/56/73/548475673.db2.gz JLXYEZIGTAYDEG-MRXNPFEDSA-N 1 2 331.416 0.998 20 30 ECEDLO C#CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001041774525 782175607 /nfs/dbraw/zinc/17/56/07/782175607.db2.gz WHVUAZCYCNEPOE-DOTOQJQBSA-N 1 2 338.473 0.759 20 30 ECEDLO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001041774525 782175612 /nfs/dbraw/zinc/17/56/12/782175612.db2.gz WHVUAZCYCNEPOE-DOTOQJQBSA-N 1 2 338.473 0.759 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)ns3)C[C@H]2O)cn1 ZINC001078032266 782180118 /nfs/dbraw/zinc/18/01/18/782180118.db2.gz GCELTKAVGZTYCI-HZPDHXFCSA-N 1 2 342.424 0.803 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)ns3)C[C@H]2O)cn1 ZINC001078032266 782180122 /nfs/dbraw/zinc/18/01/22/782180122.db2.gz GCELTKAVGZTYCI-HZPDHXFCSA-N 1 2 342.424 0.803 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cnoc3C)C[C@H]2O)cn1 ZINC001078032605 782181325 /nfs/dbraw/zinc/18/13/25/782181325.db2.gz WTRJNRZGUPVAKM-HZPDHXFCSA-N 1 2 326.356 0.334 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cnoc3C)C[C@H]2O)cn1 ZINC001078032605 782181331 /nfs/dbraw/zinc/18/13/31/782181331.db2.gz WTRJNRZGUPVAKM-HZPDHXFCSA-N 1 2 326.356 0.334 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCCC[C@@H]2c2noc(CC)n2)CC1 ZINC000748812745 579329088 /nfs/dbraw/zinc/32/90/88/579329088.db2.gz FSFDESDHMRGUAC-OAHLLOKOSA-N 1 2 345.447 0.936 20 30 ECEDLO N#C[C@H](C(=O)C[N@@H+](CCO)C1CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000728913276 578291760 /nfs/dbraw/zinc/29/17/60/578291760.db2.gz RNBWXCVNICTSME-CYBMUJFWSA-N 1 2 326.356 0.968 20 30 ECEDLO N#C[C@H](C(=O)C[N@H+](CCO)C1CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000728913276 578291761 /nfs/dbraw/zinc/29/17/61/578291761.db2.gz RNBWXCVNICTSME-CYBMUJFWSA-N 1 2 326.356 0.968 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)NCc1ccc(OC)cc1 ZINC000730106338 578303484 /nfs/dbraw/zinc/30/34/84/578303484.db2.gz YDMCUDXULOITEM-INIZCTEOSA-N 1 2 329.400 0.525 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)NCc1ccc(OC)cc1 ZINC000730106338 578303485 /nfs/dbraw/zinc/30/34/85/578303485.db2.gz YDMCUDXULOITEM-INIZCTEOSA-N 1 2 329.400 0.525 20 30 ECEDLO C#CCOc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCO[C@H](C)C2)c1 ZINC000731129832 578310612 /nfs/dbraw/zinc/31/06/12/578310612.db2.gz QGQMGNAIENJUFN-CQSZACIVSA-N 1 2 345.399 0.474 20 30 ECEDLO C#CCOc1cccc(NC(=O)C(=O)NCC[N@H+]2CCO[C@H](C)C2)c1 ZINC000731129832 578310613 /nfs/dbraw/zinc/31/06/13/578310613.db2.gz QGQMGNAIENJUFN-CQSZACIVSA-N 1 2 345.399 0.474 20 30 ECEDLO C[C@H]1CN(c2ccccc2C=[NH+]NC(=S)NCC(N)=O)CCO1 ZINC000731929612 578317823 /nfs/dbraw/zinc/31/78/23/578317823.db2.gz IMJQWCKRYFXDHS-NSHDSACASA-N 1 2 335.433 0.195 20 30 ECEDLO C[NH+]1CCN(S(=O)(=O)c2cccnc2N=NCc2ccc[nH]2)CC1 ZINC000734750879 578368138 /nfs/dbraw/zinc/36/81/38/578368138.db2.gz IKJOBTVPHAVFEH-UHFFFAOYSA-N 1 2 348.432 0.792 20 30 ECEDLO C=CCNC(=S)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000737465193 578498198 /nfs/dbraw/zinc/49/81/98/578498198.db2.gz JHNDIPLSEMTOCF-UHFFFAOYSA-N 1 2 348.476 0.496 20 30 ECEDLO C=CCNC(=S)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000737465193 578498199 /nfs/dbraw/zinc/49/81/99/578498199.db2.gz JHNDIPLSEMTOCF-UHFFFAOYSA-N 1 2 348.476 0.496 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(F)cn2)CC1 ZINC000798289034 578642773 /nfs/dbraw/zinc/64/27/73/578642773.db2.gz BMEBVWGVGBGZTD-UHFFFAOYSA-N 1 2 332.379 0.047 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(F)cn2)CC1 ZINC000798289034 578642774 /nfs/dbraw/zinc/64/27/74/578642774.db2.gz BMEBVWGVGBGZTD-UHFFFAOYSA-N 1 2 332.379 0.047 20 30 ECEDLO C#CCC[C@H](O)CNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000799284908 578662133 /nfs/dbraw/zinc/66/21/33/578662133.db2.gz QSIQOZDGJKTKHY-HNNXBMFYSA-N 1 2 340.383 0.916 20 30 ECEDLO C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000799284909 578662153 /nfs/dbraw/zinc/66/21/53/578662153.db2.gz QSIQOZDGJKTKHY-OAHLLOKOSA-N 1 2 340.383 0.916 20 30 ECEDLO O=C1C=C(NNc2ccc(S(=O)(=O)NC3CC3)c[nH+]2)[C@H]2CCCN12 ZINC000799475938 578665626 /nfs/dbraw/zinc/66/56/26/578665626.db2.gz OOTFJLDOGXRDTA-CYBMUJFWSA-N 1 2 349.416 0.685 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ncc(C)cc2C)CC1 ZINC000780480486 578694765 /nfs/dbraw/zinc/69/47/65/578694765.db2.gz HXTHECNEQQBSKA-UHFFFAOYSA-N 1 2 328.416 0.596 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ncc(C)cc2C)CC1 ZINC000780480486 578694766 /nfs/dbraw/zinc/69/47/66/578694766.db2.gz HXTHECNEQQBSKA-UHFFFAOYSA-N 1 2 328.416 0.596 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000780917853 578702707 /nfs/dbraw/zinc/70/27/07/578702707.db2.gz VZGJTFDERKKMDA-QGZVFWFLSA-N 1 2 342.399 0.666 20 30 ECEDLO N#CCCNC(=O)C[N@@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000782053469 578719603 /nfs/dbraw/zinc/71/96/03/578719603.db2.gz NLOKKNSYZRPSKS-AWEZNQCLSA-N 1 2 342.465 0.343 20 30 ECEDLO N#CCCNC(=O)C[N@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000782053469 578719604 /nfs/dbraw/zinc/71/96/04/578719604.db2.gz NLOKKNSYZRPSKS-AWEZNQCLSA-N 1 2 342.465 0.343 20 30 ECEDLO C#CCOCCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000784234209 578749891 /nfs/dbraw/zinc/74/98/91/578749891.db2.gz CYGAUXNREGYCRT-HNNXBMFYSA-N 1 2 327.450 0.143 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1)[C@@H]1CCCO1 ZINC000787632548 578811590 /nfs/dbraw/zinc/81/15/90/578811590.db2.gz DHAIDTRUYGJSRK-KGLIPLIRSA-N 1 2 330.388 0.061 20 30 ECEDLO N#Cc1ccc(NC(=O)C(=O)Nc2nc(Cl)cc(NN)[nH+]2)cc1 ZINC000789598712 578857401 /nfs/dbraw/zinc/85/74/01/578857401.db2.gz CDLVAOKFKCTVJV-UHFFFAOYSA-N 1 2 331.723 0.864 20 30 ECEDLO COC(=O)[C@H]1CC(=O)N(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793590029 578931552 /nfs/dbraw/zinc/93/15/52/578931552.db2.gz KLUKNNKHNUIUKW-UONOGXRCSA-N 1 2 344.371 0.385 20 30 ECEDLO COC(=O)[C@H]1CC(=O)N(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793590029 578931553 /nfs/dbraw/zinc/93/15/53/578931553.db2.gz KLUKNNKHNUIUKW-UONOGXRCSA-N 1 2 344.371 0.385 20 30 ECEDLO Cc1cc(C=NNC(=S)NCC[NH+]2CCOCC2)ccc1C#N ZINC000766428252 579087478 /nfs/dbraw/zinc/08/74/78/579087478.db2.gz GCMDSYXPVAPYKZ-UHFFFAOYSA-N 1 2 331.445 0.997 20 30 ECEDLO C#CCOc1ccc(C[NH+]2CCN(S(=O)(=O)N(C)C)CC2)cc1 ZINC000768250060 579123839 /nfs/dbraw/zinc/12/38/39/579123839.db2.gz MREDHYKNHMPWCX-UHFFFAOYSA-N 1 2 337.445 0.623 20 30 ECEDLO C=CCNC(=O)c1ccc(N2CC[NH+](CC[S@@](C)=O)CC2)nc1 ZINC000771149278 579185197 /nfs/dbraw/zinc/18/51/97/579185197.db2.gz YYTGREAHUWJARK-HSZRJFAPSA-N 1 2 336.461 0.498 20 30 ECEDLO O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)OCCn1cc[nH+]c1 ZINC000771854028 579196995 /nfs/dbraw/zinc/19/69/95/579196995.db2.gz KLTGGLIDAQPSDR-UHFFFAOYSA-N 1 2 348.384 0.555 20 30 ECEDLO C#C[C@H]([NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCCO1 ZINC000775784254 579271073 /nfs/dbraw/zinc/27/10/73/579271073.db2.gz HDEWPSYPYDFDKA-GJZGRUSLSA-N 1 2 336.413 0.799 20 30 ECEDLO C#C[C@H](NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1)[C@H]1CCCO1 ZINC000776232473 579278358 /nfs/dbraw/zinc/27/83/58/579278358.db2.gz RTBFZUZTXZCCRC-JKSUJKDBSA-N 1 2 331.420 0.428 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776276495 579279522 /nfs/dbraw/zinc/27/95/22/579279522.db2.gz NGMDAGWVUUJBEM-MRXNPFEDSA-N 1 2 348.403 0.548 20 30 ECEDLO C#CCCN1CC[NH+]([C@H](C)C(=O)N2CCC(C(=O)OC)CC2)CC1 ZINC000776592797 579285427 /nfs/dbraw/zinc/28/54/27/579285427.db2.gz NCVJKQBNQGLWDY-OAHLLOKOSA-N 1 2 335.448 0.427 20 30 ECEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)COc1ccccc1C#N ZINC000779564597 579317964 /nfs/dbraw/zinc/31/79/64/579317964.db2.gz ADCPKHDQDKMBOI-CYBMUJFWSA-N 1 2 328.328 0.492 20 30 ECEDLO C#CCCCC(=O)N[C@@H](C(=O)NCC[NH+]1CCOCC1)[C@H](C)CC ZINC000760320627 579508336 /nfs/dbraw/zinc/50/83/36/579508336.db2.gz HOBLFEOILOGPSC-NVXWUHKLSA-N 1 2 337.464 0.769 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000761030281 579519817 /nfs/dbraw/zinc/51/98/17/579519817.db2.gz FVNNSXRVHLDKEQ-CYBMUJFWSA-N 1 2 325.409 0.972 20 30 ECEDLO Cn1cc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)nn1 ZINC000761309333 579527271 /nfs/dbraw/zinc/52/72/71/579527271.db2.gz JXLJXTQLHIUWCQ-UHFFFAOYSA-N 1 2 330.392 0.484 20 30 ECEDLO C#CCN(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C1CC1 ZINC000764726223 579579628 /nfs/dbraw/zinc/57/96/28/579579628.db2.gz SDHUFENLVSMCIF-UHFFFAOYSA-N 1 2 327.450 0.303 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=CCCC1CCOCC1 ZINC000764898492 579580984 /nfs/dbraw/zinc/58/09/84/579580984.db2.gz XTSIUIPMLVDWIB-UHFFFAOYSA-N 1 2 328.482 0.975 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)CC1 ZINC000742282780 579784926 /nfs/dbraw/zinc/78/49/26/579784926.db2.gz SMOOCWRGLIYKGS-UHFFFAOYSA-N 1 2 349.456 0.999 20 30 ECEDLO CC1(C)C(=NNC(=S)NCC[NH+]2CCOCC2)[C@H]2CCCO[C@@H]21 ZINC000743425831 579797757 /nfs/dbraw/zinc/79/77/57/579797757.db2.gz XYTNGZVBKMTRRQ-OCCSQVGLSA-N 1 2 340.493 0.974 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2cnn(-c3ccc(=O)[nH]n3)c2C)CC1 ZINC000744422932 579809268 /nfs/dbraw/zinc/80/92/68/579809268.db2.gz HSRJZKKAQOUJMH-UHFFFAOYSA-N 1 2 326.360 0.067 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)/C(=C\c2ccccc2)n2nnnc2C)CC1 ZINC000744422487 579809324 /nfs/dbraw/zinc/80/93/24/579809324.db2.gz XLHNOBHRYHDMHQ-SAPNQHFASA-N 1 2 336.399 0.757 20 30 ECEDLO Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)=N1 ZINC000834480020 588901903 /nfs/dbraw/zinc/90/19/03/588901903.db2.gz KIRFPSZEUDGFPR-JQWIXIFHSA-N 1 2 329.335 0.867 20 30 ECEDLO C#CC1(O)CN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000891506085 586172205 /nfs/dbraw/zinc/17/22/05/586172205.db2.gz VRZAVJWRURANGH-MRXNPFEDSA-N 1 2 329.400 0.277 20 30 ECEDLO C#CC1(O)CN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000891506085 586172207 /nfs/dbraw/zinc/17/22/07/586172207.db2.gz VRZAVJWRURANGH-MRXNPFEDSA-N 1 2 329.400 0.277 20 30 ECEDLO C#CCNc1nc(N[C@@H]2COC[C@@H]2C)[nH+]c(N[C@@H]2COC[C@H]2C)n1 ZINC000895909373 586211907 /nfs/dbraw/zinc/21/19/07/586211907.db2.gz LNZMXAZZODTGQO-YVECIDJPSA-N 1 2 332.408 0.810 20 30 ECEDLO C#CCNc1nc(N[C@@H]2COC[C@@H]2C)nc(N[C@@H]2COC[C@H]2C)[nH+]1 ZINC000895909373 586211912 /nfs/dbraw/zinc/21/19/12/586211912.db2.gz LNZMXAZZODTGQO-YVECIDJPSA-N 1 2 332.408 0.810 20 30 ECEDLO C#CCNc1nc(N[C@@H]2COC[C@H]2C)nc(N[C@@H]2COC[C@@H]2C)[nH+]1 ZINC000895909373 586211914 /nfs/dbraw/zinc/21/19/14/586211914.db2.gz LNZMXAZZODTGQO-YVECIDJPSA-N 1 2 332.408 0.810 20 30 ECEDLO N#C[C@]12CN(Cc3cc4c(c[nH+]3)OCCO4)C[C@H]1CS(=O)(=O)C2 ZINC000897063254 586284196 /nfs/dbraw/zinc/28/41/96/586284196.db2.gz MWQIYPCGFJSKFE-XHDPSFHLSA-N 1 2 335.385 0.223 20 30 ECEDLO COC(=O)[C@@]1(C)C[C@@H](OC(=O)c2cnn(CCC#N)c2C)C[N@@H+]1C ZINC000893577129 586341769 /nfs/dbraw/zinc/34/17/69/586341769.db2.gz ASPBZBADSNLVRQ-MLGOLLRUSA-N 1 2 334.376 0.898 20 30 ECEDLO COC(=O)[C@@]1(C)C[C@@H](OC(=O)c2cnn(CCC#N)c2C)C[N@H+]1C ZINC000893577129 586341771 /nfs/dbraw/zinc/34/17/71/586341771.db2.gz ASPBZBADSNLVRQ-MLGOLLRUSA-N 1 2 334.376 0.898 20 30 ECEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000843252824 589056784 /nfs/dbraw/zinc/05/67/84/589056784.db2.gz KSJFKMKCGUGNCI-SJORKVTESA-N 1 2 347.459 0.572 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(O)ccc2C)CC1 ZINC000900585626 586647785 /nfs/dbraw/zinc/64/77/85/586647785.db2.gz VZOXQYHRTBHOBV-UHFFFAOYSA-N 1 2 329.400 0.598 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(O)ccc2C)CC1 ZINC000900585626 586647787 /nfs/dbraw/zinc/64/77/87/586647787.db2.gz VZOXQYHRTBHOBV-UHFFFAOYSA-N 1 2 329.400 0.598 20 30 ECEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(C[C@@H]2C[C@H]3COC[C@@H]3O2)c1=O ZINC000901558119 586711418 /nfs/dbraw/zinc/71/14/18/586711418.db2.gz UXYANDDOQDVFIV-ULQDDVLXSA-N 1 2 345.399 0.356 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cc(C(=O)OC(C)(C)C)cn2)CC1 ZINC000902878003 586761154 /nfs/dbraw/zinc/76/11/54/586761154.db2.gz MKYUJFVQBACGFJ-UHFFFAOYSA-N 1 2 332.404 0.616 20 30 ECEDLO C#CCCCS(=O)(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC000804949512 586865087 /nfs/dbraw/zinc/86/50/87/586865087.db2.gz PTFPMYTXQNWEQG-UHFFFAOYSA-N 1 2 329.466 0.310 20 30 ECEDLO N#CCOc1ccccc1C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000801174389 586983785 /nfs/dbraw/zinc/98/37/85/586983785.db2.gz OXVUBKJULKQKKY-UHFFFAOYSA-N 1 2 333.388 0.356 20 30 ECEDLO C[C@@H](C#N)OCC[N@@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000801935140 587006372 /nfs/dbraw/zinc/00/63/72/587006372.db2.gz WXSABFBAOIVTLT-KBPBESRZSA-N 1 2 343.383 0.912 20 30 ECEDLO C[C@@H](C#N)OCC[N@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000801935140 587006375 /nfs/dbraw/zinc/00/63/75/587006375.db2.gz WXSABFBAOIVTLT-KBPBESRZSA-N 1 2 343.383 0.912 20 30 ECEDLO CCO[C@H]1CC(=NNC(=S)NCC[NH+]2CCOCC2)[C@@H]1SC ZINC000807947262 587140303 /nfs/dbraw/zinc/14/03/03/587140303.db2.gz NDWSIKTWBHIWKM-STQMWFEESA-N 1 2 346.522 0.679 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[C@H]1CCCO1 ZINC000809303835 587173248 /nfs/dbraw/zinc/17/32/48/587173248.db2.gz BZMYALKMHVMKSF-UONOGXRCSA-N 1 2 330.388 0.413 20 30 ECEDLO O=C(N[C@H]1CCCN(O)C1=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000820482273 587536864 /nfs/dbraw/zinc/53/68/64/587536864.db2.gz GZGOYGIPCJMQPY-JKSUJKDBSA-N 1 2 347.415 0.681 20 30 ECEDLO C#C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C1CCOCC1 ZINC000823178668 587708154 /nfs/dbraw/zinc/70/81/54/587708154.db2.gz UEPVAGKRUDROBM-IAGOWNOFSA-N 1 2 335.448 0.921 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C2CCC(NC(=O)[O-])CC2)CC1 ZINC000823450562 587721574 /nfs/dbraw/zinc/72/15/74/587721574.db2.gz DDXVWEVDNKNBKG-UHFFFAOYSA-N 1 2 336.436 0.274 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@H+](C)C2CCC(NC(=O)[O-])CC2)CC1 ZINC000823450562 587721576 /nfs/dbraw/zinc/72/15/76/587721576.db2.gz DDXVWEVDNKNBKG-UHFFFAOYSA-N 1 2 336.436 0.274 20 30 ECEDLO COCCOCC[NH+]1CCN(C(=O)c2ccc(C#N)cc2OC)CC1 ZINC000824120826 587855940 /nfs/dbraw/zinc/85/59/40/587855940.db2.gz NTKRDYVYGYZCOB-UHFFFAOYSA-N 1 2 347.415 0.988 20 30 ECEDLO C#CCN(CC(=O)NCC[N@H+]1CCOC[C@@H]1C)C(=O)OC(C)(C)C ZINC000826135973 587996404 /nfs/dbraw/zinc/99/64/04/587996404.db2.gz XOYAPOIHHXCXTI-AWEZNQCLSA-N 1 2 339.436 0.694 20 30 ECEDLO C#CCN(CC(=O)NCC[N@@H+]1CCOC[C@@H]1C)C(=O)OC(C)(C)C ZINC000826135973 587996406 /nfs/dbraw/zinc/99/64/06/587996406.db2.gz XOYAPOIHHXCXTI-AWEZNQCLSA-N 1 2 339.436 0.694 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cc(C)ccc2F)CC1 ZINC000828529706 588187686 /nfs/dbraw/zinc/18/76/86/588187686.db2.gz UGVDEROLAPBBCA-UHFFFAOYSA-N 1 2 325.409 0.719 20 30 ECEDLO C#Cc1cccc(CNC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000829615073 588331964 /nfs/dbraw/zinc/33/19/64/588331964.db2.gz OMDFWPXPZILVIA-KRWDZBQOSA-N 1 2 341.411 0.217 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC2CC2)CC1 ZINC000830951750 588394742 /nfs/dbraw/zinc/39/47/42/588394742.db2.gz UAGVEEKRHMSQAU-UHFFFAOYSA-N 1 2 325.420 0.844 20 30 ECEDLO C[C@@H](NC(=O)C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1)C(=O)N(C)C ZINC000844370735 589109442 /nfs/dbraw/zinc/10/94/42/589109442.db2.gz SXPROCZSEZXUOI-IUODEOHRSA-N 1 2 332.404 0.116 20 30 ECEDLO C[C@@H](NC(=O)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1)C(=O)N(C)C ZINC000844370735 589109443 /nfs/dbraw/zinc/10/94/43/589109443.db2.gz SXPROCZSEZXUOI-IUODEOHRSA-N 1 2 332.404 0.116 20 30 ECEDLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000867372432 589123336 /nfs/dbraw/zinc/12/33/36/589123336.db2.gz HJGCGFAHWUPFGK-NSHDSACASA-N 1 2 327.381 0.384 20 30 ECEDLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000867372432 589123338 /nfs/dbraw/zinc/12/33/38/589123338.db2.gz HJGCGFAHWUPFGK-NSHDSACASA-N 1 2 327.381 0.384 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000867414768 589198507 /nfs/dbraw/zinc/19/85/07/589198507.db2.gz AVOBDMCUZMOFIZ-NWDGAFQWSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000867414768 589198508 /nfs/dbraw/zinc/19/85/08/589198508.db2.gz AVOBDMCUZMOFIZ-NWDGAFQWSA-N 1 2 341.408 0.773 20 30 ECEDLO C#CCCN(CCOC)C(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000850709785 589381300 /nfs/dbraw/zinc/38/13/00/589381300.db2.gz HLSIYTPBWMIXNB-AWEZNQCLSA-N 1 2 332.404 0.614 20 30 ECEDLO Cn1ncc(C2CC2)c1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000853263590 589539320 /nfs/dbraw/zinc/53/93/20/589539320.db2.gz RSLLYJJFBDTBJX-UHFFFAOYSA-N 1 2 336.465 0.428 20 30 ECEDLO COC[C@@H](CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1)OC ZINC000853657489 589553957 /nfs/dbraw/zinc/55/39/57/589553957.db2.gz FKQBQZYGCJHUGB-INIZCTEOSA-N 1 2 337.420 0.817 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cnc3[nH]c4ccccc4c3c2=O)CC1 ZINC000853711293 589555987 /nfs/dbraw/zinc/55/59/87/589555987.db2.gz BCEJWMLEUDCHFU-UHFFFAOYSA-N 1 2 349.394 0.655 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000854568267 589593479 /nfs/dbraw/zinc/59/34/79/589593479.db2.gz KOZUKJMHPUSKRX-GJZGRUSLSA-N 1 2 326.462 0.691 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)CC1 ZINC000112920523 589617343 /nfs/dbraw/zinc/61/73/43/589617343.db2.gz GVZBXKVZINMKFE-AWEZNQCLSA-N 1 2 339.399 0.102 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[C@@H](NC(N)=O)c2ccccc2C)CC1 ZINC000112921121 589617758 /nfs/dbraw/zinc/61/77/58/589617758.db2.gz MMCOJGYLXRZRTI-MRXNPFEDSA-N 1 2 328.416 0.872 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2cnc(Br)cn2)CC1 ZINC000856722529 589671746 /nfs/dbraw/zinc/67/17/46/589671746.db2.gz ZEDJQJNPKMWTGD-UHFFFAOYSA-N 1 2 340.225 0.663 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)CC1 ZINC000859890177 589721288 /nfs/dbraw/zinc/72/12/88/589721288.db2.gz JIIWXDQNAWXDHH-OAHLLOKOSA-N 1 2 329.404 0.097 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)CC1 ZINC000859890177 589721290 /nfs/dbraw/zinc/72/12/90/589721290.db2.gz JIIWXDQNAWXDHH-OAHLLOKOSA-N 1 2 329.404 0.097 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3cn[nH]c3)n2C[C@@H]2CCOC2)CC1 ZINC000859140737 589802295 /nfs/dbraw/zinc/80/22/95/589802295.db2.gz UWHRCCIHPNNXBT-AWEZNQCLSA-N 1 2 341.419 0.460 20 30 ECEDLO C#CC[N@@H+](C[C@H](O)COc1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000859188198 589805850 /nfs/dbraw/zinc/80/58/50/589805850.db2.gz GKWAZRYELBOXAJ-CVEARBPZSA-N 1 2 348.424 0.420 20 30 ECEDLO C#CC[N@H+](C[C@H](O)COc1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000859188198 589805852 /nfs/dbraw/zinc/80/58/52/589805852.db2.gz GKWAZRYELBOXAJ-CVEARBPZSA-N 1 2 348.424 0.420 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(C=O)cc2)CC1 ZINC000859225317 589809462 /nfs/dbraw/zinc/80/94/62/589809462.db2.gz NHMYOAWJQGJQGI-UHFFFAOYSA-N 1 2 341.411 0.325 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(C=O)cc2)CC1 ZINC000859225317 589809464 /nfs/dbraw/zinc/80/94/64/589809464.db2.gz NHMYOAWJQGJQGI-UHFFFAOYSA-N 1 2 341.411 0.325 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000859357344 589825763 /nfs/dbraw/zinc/82/57/63/589825763.db2.gz MPYSSMQPXSZIFW-KRWDZBQOSA-N 1 2 325.412 0.926 20 30 ECEDLO N#Cc1ccncc1N1CCN(C(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000868525657 589912230 /nfs/dbraw/zinc/91/22/30/589912230.db2.gz BESNMUMPCQIASP-UPHRSURJSA-N 1 2 341.415 0.490 20 30 ECEDLO N#C[C@]1(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCCOC1 ZINC000868841475 589929710 /nfs/dbraw/zinc/92/97/10/589929710.db2.gz IJQHVLVWDUFJTO-MRXNPFEDSA-N 1 2 337.420 0.304 20 30 ECEDLO C#CCN(CC(=O)NC[C@H]1COCC[N@H+]1C)C(=O)OC(C)(C)C ZINC000862968761 589981421 /nfs/dbraw/zinc/98/14/21/589981421.db2.gz CTUNUKRIKGIHMP-ZDUSSCGKSA-N 1 2 325.409 0.304 20 30 ECEDLO C#CCN(CC(=O)NC[C@H]1COCC[N@@H+]1C)C(=O)OC(C)(C)C ZINC000862968761 589981424 /nfs/dbraw/zinc/98/14/24/589981424.db2.gz CTUNUKRIKGIHMP-ZDUSSCGKSA-N 1 2 325.409 0.304 20 30 ECEDLO CCn1[nH]c(C)nc1=NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000888531415 589990541 /nfs/dbraw/zinc/99/05/41/589990541.db2.gz UOLCCEDPBLOTDJ-UHFFFAOYSA-N 1 2 335.412 0.108 20 30 ECEDLO N#Cc1cccc(OCC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000870070654 589996861 /nfs/dbraw/zinc/99/68/61/589996861.db2.gz YORRGSLLXSOBIC-QGZVFWFLSA-N 1 2 345.399 0.497 20 30 ECEDLO N#C[C@]1(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CCCOC1 ZINC000864803904 590106618 /nfs/dbraw/zinc/10/66/18/590106618.db2.gz LVWONMVEROUONU-QGZVFWFLSA-N 1 2 330.388 0.855 20 30 ECEDLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(C)cc2C#N)CC1 ZINC000872456509 590118420 /nfs/dbraw/zinc/11/84/20/590118420.db2.gz OWOJVNZCJRMUHK-OAHLLOKOSA-N 1 2 337.445 0.944 20 30 ECEDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c(C#N)c1 ZINC000872475799 590119581 /nfs/dbraw/zinc/11/95/81/590119581.db2.gz QRZDHQJOBRIWFM-UONOGXRCSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c(C#N)c1 ZINC000872475799 590119583 /nfs/dbraw/zinc/11/95/83/590119583.db2.gz QRZDHQJOBRIWFM-UONOGXRCSA-N 1 2 337.445 0.942 20 30 ECEDLO C=C(C)C[C@H]1NC(=O)N(C2CC[NH+](CCS(C)(=O)=O)CC2)C1=O ZINC000865303053 590138441 /nfs/dbraw/zinc/13/84/41/590138441.db2.gz YBFZLQHUPRKAQW-CYBMUJFWSA-N 1 2 343.449 0.382 20 30 ECEDLO CCN1C(=O)CN(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)C1=O ZINC000872728470 590145185 /nfs/dbraw/zinc/14/51/85/590145185.db2.gz MWXFFNVOFADPGT-UHFFFAOYSA-N 1 2 327.388 0.922 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2)c1ccccc1 ZINC000873928757 590211881 /nfs/dbraw/zinc/21/18/81/590211881.db2.gz SQNIQHFPGGQDEC-OAHLLOKOSA-N 1 2 337.383 0.758 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2)c1ccccc1 ZINC000873928757 590211882 /nfs/dbraw/zinc/21/18/82/590211882.db2.gz SQNIQHFPGGQDEC-OAHLLOKOSA-N 1 2 337.383 0.758 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000875026293 590263606 /nfs/dbraw/zinc/26/36/06/590263606.db2.gz NUZVSZQUQJSFRL-OAHLLOKOSA-N 1 2 344.415 0.453 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000875288322 590290372 /nfs/dbraw/zinc/29/03/72/590290372.db2.gz SQFWMXSEEOBWMB-RDJZCZTQSA-N 1 2 343.427 0.834 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000875288322 590290373 /nfs/dbraw/zinc/29/03/73/590290373.db2.gz SQFWMXSEEOBWMB-RDJZCZTQSA-N 1 2 343.427 0.834 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC(F)(F)[C@@H](C(=O)OCC)C1 ZINC000879370060 590308743 /nfs/dbraw/zinc/30/87/43/590308743.db2.gz LTKBIIKCADUPKY-SNVBAGLBSA-N 1 2 333.335 0.519 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC(F)(F)[C@@H](C(=O)OCC)C1 ZINC000879370060 590308745 /nfs/dbraw/zinc/30/87/45/590308745.db2.gz LTKBIIKCADUPKY-SNVBAGLBSA-N 1 2 333.335 0.519 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000875607591 590315368 /nfs/dbraw/zinc/31/53/68/590315368.db2.gz LEPUSFYOMJBNNI-CQSZACIVSA-N 1 2 347.415 0.820 20 30 ECEDLO CS(=O)(=O)NCC[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000879588971 590326169 /nfs/dbraw/zinc/32/61/69/590326169.db2.gz PEOLSUUNDNXVGC-UHFFFAOYSA-N 1 2 326.397 0.369 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](CC3(O)CCS(=O)(=O)CC3)CC2)cc1 ZINC000879585802 590326302 /nfs/dbraw/zinc/32/63/02/590326302.db2.gz OWCRCKMKLYZOFM-UHFFFAOYSA-N 1 2 349.456 0.620 20 30 ECEDLO C[C@H](NS(=O)(=O)c1cccc(F)c1C#N)[C@H]1C[N@H+](C)CCO1 ZINC000128245261 590375072 /nfs/dbraw/zinc/37/50/72/590375072.db2.gz CTZFTVIIIWIKAK-GXFFZTMASA-N 1 2 327.381 0.695 20 30 ECEDLO C[C@H](NS(=O)(=O)c1cccc(F)c1C#N)[C@H]1C[N@@H+](C)CCO1 ZINC000128245261 590375075 /nfs/dbraw/zinc/37/50/75/590375075.db2.gz CTZFTVIIIWIKAK-GXFFZTMASA-N 1 2 327.381 0.695 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 ZINC000128355119 590384033 /nfs/dbraw/zinc/38/40/33/590384033.db2.gz CWJNBIYUKPXRAU-GJZGRUSLSA-N 1 2 331.416 0.329 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@@]2(C1)CN(Cc1ccccc1)C(=O)CO2 ZINC000880494392 590397679 /nfs/dbraw/zinc/39/76/79/590397679.db2.gz ATPLHNMPGTXKGK-GOSISDBHSA-N 1 2 342.399 0.130 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@@]2(C1)CN(Cc1ccccc1)C(=O)CO2 ZINC000880494392 590397684 /nfs/dbraw/zinc/39/76/84/590397684.db2.gz ATPLHNMPGTXKGK-GOSISDBHSA-N 1 2 342.399 0.130 20 30 ECEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]3CCNC(=O)[C@H]32)c1 ZINC000880531937 590400616 /nfs/dbraw/zinc/40/06/16/590400616.db2.gz YLBKHSCYOZHORQ-RDJZCZTQSA-N 1 2 326.400 0.775 20 30 ECEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H]3CCNC(=O)[C@H]32)c1 ZINC000880531937 590400618 /nfs/dbraw/zinc/40/06/18/590400618.db2.gz YLBKHSCYOZHORQ-RDJZCZTQSA-N 1 2 326.400 0.775 20 30 ECEDLO C#CC[N@H+](C[C@@H]1CCC2(CCOCC2)O1)[C@H]1CCS(=O)(=O)C1 ZINC000878236847 590508434 /nfs/dbraw/zinc/50/84/34/590508434.db2.gz CADJXHOWNGTRMQ-GJZGRUSLSA-N 1 2 327.446 0.837 20 30 ECEDLO C#CC[N@@H+](C[C@@H]1CCC2(CCOCC2)O1)[C@H]1CCS(=O)(=O)C1 ZINC000878236847 590508437 /nfs/dbraw/zinc/50/84/37/590508437.db2.gz CADJXHOWNGTRMQ-GJZGRUSLSA-N 1 2 327.446 0.837 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cnc(-c3ccccc3)cc2=O)CC1 ZINC000882196207 590525378 /nfs/dbraw/zinc/52/53/78/590525378.db2.gz AALILPUKVQROEG-UHFFFAOYSA-N 1 2 336.395 0.688 20 30 ECEDLO Cc1ncsc1-c1nc(CO[NH+]=C(N)CN2CCOCC2)no1 ZINC000131555675 590613135 /nfs/dbraw/zinc/61/31/35/590613135.db2.gz FUSOOGOILHAPJS-UHFFFAOYSA-N 1 2 338.393 0.623 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cccnc2C(=O)OC)C1 ZINC000885509605 590728807 /nfs/dbraw/zinc/72/88/07/590728807.db2.gz UTSNWIWGOKPXIJ-LBPRGKRZSA-N 1 2 337.401 0.244 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccnc2C(=O)OC)C1 ZINC000885509605 590728812 /nfs/dbraw/zinc/72/88/12/590728812.db2.gz UTSNWIWGOKPXIJ-LBPRGKRZSA-N 1 2 337.401 0.244 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CC2(CC(=O)OC)CC2)C1 ZINC000885511124 590728887 /nfs/dbraw/zinc/72/88/87/590728887.db2.gz CQPKPKORODQUMX-ZDUSSCGKSA-N 1 2 328.434 0.347 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CC2(CC(=O)OC)CC2)C1 ZINC000885511124 590728890 /nfs/dbraw/zinc/72/88/90/590728890.db2.gz CQPKPKORODQUMX-ZDUSSCGKSA-N 1 2 328.434 0.347 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)Cc2ccc(C(=O)NC)cc2)C1 ZINC000885507967 590729167 /nfs/dbraw/zinc/72/91/67/590729167.db2.gz AJBWUPHVLKYRAK-MRXNPFEDSA-N 1 2 349.456 0.563 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)Cc2ccc(C(=O)NC)cc2)C1 ZINC000885507967 590729173 /nfs/dbraw/zinc/72/91/73/590729173.db2.gz AJBWUPHVLKYRAK-MRXNPFEDSA-N 1 2 349.456 0.563 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000885513631 590729621 /nfs/dbraw/zinc/72/96/21/590729621.db2.gz ASQJXKHYINXPSX-ZDUSSCGKSA-N 1 2 336.413 0.834 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000885513631 590729625 /nfs/dbraw/zinc/72/96/25/590729625.db2.gz ASQJXKHYINXPSX-ZDUSSCGKSA-N 1 2 336.413 0.834 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cnc3onc(C)c3c2)C1 ZINC000885511320 590729633 /nfs/dbraw/zinc/72/96/33/590729633.db2.gz FVHOADTWIOUSHH-GFCCVEGCSA-N 1 2 334.401 0.907 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cnc3onc(C)c3c2)C1 ZINC000885511320 590729636 /nfs/dbraw/zinc/72/96/36/590729636.db2.gz FVHOADTWIOUSHH-GFCCVEGCSA-N 1 2 334.401 0.907 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CCCCCC(=O)OC)C1 ZINC000885512019 590730053 /nfs/dbraw/zinc/73/00/53/590730053.db2.gz QOYWFTSQZGKPDQ-AWEZNQCLSA-N 1 2 330.450 0.737 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CCCCCC(=O)OC)C1 ZINC000885512019 590730055 /nfs/dbraw/zinc/73/00/55/590730055.db2.gz QOYWFTSQZGKPDQ-AWEZNQCLSA-N 1 2 330.450 0.737 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)OC)o2)C1 ZINC000885511625 590730066 /nfs/dbraw/zinc/73/00/66/590730066.db2.gz LEXLIOWXZHGIJE-NSHDSACASA-N 1 2 326.374 0.442 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)OC)o2)C1 ZINC000885511625 590730069 /nfs/dbraw/zinc/73/00/69/590730069.db2.gz LEXLIOWXZHGIJE-NSHDSACASA-N 1 2 326.374 0.442 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1C(=O)N(CC)CC ZINC000884106227 590742248 /nfs/dbraw/zinc/74/22/48/590742248.db2.gz KWMYJNXUPRUXRA-QWHCGFSZSA-N 1 2 325.409 0.292 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000884127004 590748122 /nfs/dbraw/zinc/74/81/22/590748122.db2.gz RFDGQAMHJCGPTG-GJZGRUSLSA-N 1 2 345.399 0.697 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCCCS2(=O)=O)C1 ZINC000884262830 590790996 /nfs/dbraw/zinc/79/09/96/590790996.db2.gz VDXGQSYUGHVFIB-ZIAGYGMSSA-N 1 2 327.450 0.351 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCCCS2(=O)=O)C1 ZINC000884262830 590790998 /nfs/dbraw/zinc/79/09/98/590790998.db2.gz VDXGQSYUGHVFIB-ZIAGYGMSSA-N 1 2 327.450 0.351 20 30 ECEDLO Cc1c[nH+]c2cc(C(=O)N3C[C@@H]4CS(=O)(=O)C[C@@]4(C#N)C3)ccn12 ZINC000886210280 590815264 /nfs/dbraw/zinc/81/52/64/590815264.db2.gz MBOBZHPWVVXTBL-CZUORRHYSA-N 1 2 344.396 0.653 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](n1cccn1)C(F)(F)F ZINC000884428955 590826238 /nfs/dbraw/zinc/82/62/38/590826238.db2.gz SPQMUHYYEACJAM-VHSXEESVSA-N 1 2 334.298 0.549 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C)c(S(N)(=O)=O)cc1C ZINC000925579544 611488227 /nfs/dbraw/zinc/48/82/27/611488227.db2.gz MLGVKCDHINEVBM-AWEZNQCLSA-N 1 2 335.429 0.987 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C)c(S(N)(=O)=O)cc1C ZINC000925579544 611488230 /nfs/dbraw/zinc/48/82/30/611488230.db2.gz MLGVKCDHINEVBM-AWEZNQCLSA-N 1 2 335.429 0.987 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000932039758 611594734 /nfs/dbraw/zinc/59/47/34/611594734.db2.gz VRFQMHDDUXILAX-IAGOWNOFSA-N 1 2 349.475 0.721 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000932039758 611594736 /nfs/dbraw/zinc/59/47/36/611594736.db2.gz VRFQMHDDUXILAX-IAGOWNOFSA-N 1 2 349.475 0.721 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000947577636 611604376 /nfs/dbraw/zinc/60/43/76/611604376.db2.gz WCHFHVSYMWECQW-CVEARBPZSA-N 1 2 346.431 0.972 20 30 ECEDLO N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000162715935 608606125 /nfs/dbraw/zinc/60/61/25/608606125.db2.gz OSYRFLWSZXYXMF-UHFFFAOYSA-N 1 2 346.362 0.973 20 30 ECEDLO Cn1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ncc1=O ZINC000949378034 608658695 /nfs/dbraw/zinc/65/86/95/608658695.db2.gz MWLBXCYTENDVSB-UHFFFAOYSA-N 1 2 337.383 0.610 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CCN(C(=O)Cn3cc[nH+]c3)CC2)nc1 ZINC000947275450 608718724 /nfs/dbraw/zinc/71/87/24/608718724.db2.gz XJMGCIXOLWRMHH-UHFFFAOYSA-N 1 2 337.383 0.680 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C3CCN(C(N)=O)CC3)CC2)C1 ZINC000949523640 608737303 /nfs/dbraw/zinc/73/73/03/608737303.db2.gz WVKNMHANVGKBMB-UHFFFAOYSA-N 1 2 348.447 0.104 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C3CCN(C(N)=O)CC3)CC2)C1 ZINC000949523640 608737304 /nfs/dbraw/zinc/73/73/04/608737304.db2.gz WVKNMHANVGKBMB-UHFFFAOYSA-N 1 2 348.447 0.104 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[NH+](C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000949667181 608842218 /nfs/dbraw/zinc/84/22/18/608842218.db2.gz PGLOXZSCYVSUGM-AWEZNQCLSA-N 1 2 343.493 0.624 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3cnn(C)n3)[C@H](C)C2)c1 ZINC000947711658 608934130 /nfs/dbraw/zinc/93/41/30/608934130.db2.gz XSTKLWSGCYYUSY-CZUORRHYSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnn(C)n3)[C@H](C)C2)c1 ZINC000947711658 608934133 /nfs/dbraw/zinc/93/41/33/608934133.db2.gz XSTKLWSGCYYUSY-CZUORRHYSA-N 1 2 338.415 0.974 20 30 ECEDLO CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000937057649 608938917 /nfs/dbraw/zinc/93/89/17/608938917.db2.gz ADLFURHFJNEUIT-LBPRGKRZSA-N 1 2 326.360 0.525 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCN2C(=O)Cc2[nH]c[nH+]c2C)nn1 ZINC000950052183 608959911 /nfs/dbraw/zinc/95/99/11/608959911.db2.gz DERRBVAFLLERKH-GFCCVEGCSA-N 1 2 343.391 0.069 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000937177476 609023054 /nfs/dbraw/zinc/02/30/54/609023054.db2.gz CWXGHSNGSVTDJK-CYBMUJFWSA-N 1 2 340.387 0.834 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000937270273 609094942 /nfs/dbraw/zinc/09/49/42/609094942.db2.gz AQYUYAJDHSAIJW-CYBMUJFWSA-N 1 2 340.387 0.915 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3nnc(C)o3)[C@H](C)C2)nn1 ZINC000947792846 611693022 /nfs/dbraw/zinc/69/30/22/611693022.db2.gz TYFHYBXVORUQIH-DGCLKSJQSA-N 1 2 345.407 0.938 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3nnc(C)o3)[C@H](C)C2)nn1 ZINC000947792846 611693025 /nfs/dbraw/zinc/69/30/25/611693025.db2.gz TYFHYBXVORUQIH-DGCLKSJQSA-N 1 2 345.407 0.938 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCC(S(=O)(=O)N2CCCCC2)CC1 ZINC000933094939 611707514 /nfs/dbraw/zinc/70/75/14/611707514.db2.gz ZWBJGZQLWZACMQ-UHFFFAOYSA-N 1 2 327.450 0.016 20 30 ECEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2c[nH]nc2C(F)(F)F)CC1 ZINC000921437507 609716537 /nfs/dbraw/zinc/71/65/37/609716537.db2.gz ZCMHMPDESSQHLR-UHFFFAOYSA-N 1 2 336.339 0.804 20 30 ECEDLO C=CCc1ccc(OCC(=O)N2CC[N@H+](C)[C@@H](CO)C2)c(OC)c1 ZINC000913554993 609731884 /nfs/dbraw/zinc/73/18/84/609731884.db2.gz RKFLLESYSFBTJJ-OAHLLOKOSA-N 1 2 334.416 0.937 20 30 ECEDLO C=CCc1ccc(OCC(=O)N2CC[N@@H+](C)[C@@H](CO)C2)c(OC)c1 ZINC000913554993 609731885 /nfs/dbraw/zinc/73/18/85/609731885.db2.gz RKFLLESYSFBTJJ-OAHLLOKOSA-N 1 2 334.416 0.937 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000929510759 609795692 /nfs/dbraw/zinc/79/56/92/609795692.db2.gz JRSHXXIFHXCTOP-UONOGXRCSA-N 1 2 347.381 0.853 20 30 ECEDLO COC(=O)CCN(CC#N)C(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000913737227 609817432 /nfs/dbraw/zinc/81/74/32/609817432.db2.gz JWELUVGPTPHFRT-UHFFFAOYSA-N 1 2 348.403 0.349 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000938530958 609845578 /nfs/dbraw/zinc/84/55/78/609845578.db2.gz NEGHFIMRAOQXQT-INIZCTEOSA-N 1 2 336.395 0.893 20 30 ECEDLO CC[C@@H]1CN(S(=O)(=O)CC(C)(C)C#N)C[C@H]1[NH+]1CCOCC1 ZINC000914266331 609870929 /nfs/dbraw/zinc/87/09/29/609870929.db2.gz QYTKFJXDXYVSNP-ZIAGYGMSSA-N 1 2 329.466 0.909 20 30 ECEDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(C#N)cn2)CC1 ZINC000068508499 609989084 /nfs/dbraw/zinc/98/90/84/609989084.db2.gz XUIUBXNUVXTPCS-UHFFFAOYSA-N 1 2 336.417 0.192 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000938906442 610029163 /nfs/dbraw/zinc/02/91/63/610029163.db2.gz ULPMMTXTYCVEFY-ZDUSSCGKSA-N 1 2 340.387 0.535 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)nc1 ZINC000938969076 610058796 /nfs/dbraw/zinc/05/87/96/610058796.db2.gz SVSPAHADADRDMT-OAHLLOKOSA-N 1 2 337.383 0.702 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000938991468 610063762 /nfs/dbraw/zinc/06/37/62/610063762.db2.gz DGMWMHHJDZFYCK-NOLJZWGESA-N 1 2 332.404 0.651 20 30 ECEDLO C=CCn1cccc1C(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000938991849 610063946 /nfs/dbraw/zinc/06/39/46/610063946.db2.gz VEAFLXQTPMARAK-ZDUSSCGKSA-N 1 2 327.388 0.971 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000939308209 610158249 /nfs/dbraw/zinc/15/82/49/610158249.db2.gz UWISERLCXJBHPI-HNNXBMFYSA-N 1 2 337.383 0.702 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000939933144 610170590 /nfs/dbraw/zinc/17/05/90/610170590.db2.gz YIIMWCKHDCBBJK-GFCCVEGCSA-N 1 2 326.360 0.491 20 30 ECEDLO CN(C(=O)CON=C(N)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000181845199 610182527 /nfs/dbraw/zinc/18/25/27/610182527.db2.gz LSYSBJPDIGYJNC-MRXNPFEDSA-N 1 2 346.431 0.797 20 30 ECEDLO CN(C(=O)CON=C(N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000181845199 610182528 /nfs/dbraw/zinc/18/25/28/610182528.db2.gz LSYSBJPDIGYJNC-MRXNPFEDSA-N 1 2 346.431 0.797 20 30 ECEDLO C=C(Br)C[NH2+][C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1C ZINC000939501286 610218376 /nfs/dbraw/zinc/21/83/76/610218376.db2.gz WLXGEVAAKGDILK-PSASIEDQSA-N 1 2 328.214 0.692 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)nn1 ZINC000940505263 610293203 /nfs/dbraw/zinc/29/32/03/610293203.db2.gz ZZQQDXUAPUCGKI-GFCCVEGCSA-N 1 2 343.391 0.069 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCc3ccn(C)n3)CC2)C1 ZINC000941426648 610301101 /nfs/dbraw/zinc/30/11/01/610301101.db2.gz DSTRZEGIFCOVBS-UHFFFAOYSA-N 1 2 329.448 0.204 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccnn3[C@@H](C)CC)CC2)C1 ZINC000941427273 610301304 /nfs/dbraw/zinc/30/13/04/610301304.db2.gz SRAGFUKTVICTKJ-HNNXBMFYSA-N 1 2 329.448 0.929 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)CC2)C1 ZINC000941423010 610308037 /nfs/dbraw/zinc/30/80/37/610308037.db2.gz SYQYYMCTGYBMAZ-INIZCTEOSA-N 1 2 346.475 0.095 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc4n(n3)CCC4)CC2)C1 ZINC000941430770 610311985 /nfs/dbraw/zinc/31/19/85/610311985.db2.gz CNTPHJLHXLYFET-UHFFFAOYSA-N 1 2 327.432 0.295 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cn(C(C)(C)C)nn3)CC2)C1 ZINC000941431023 610312270 /nfs/dbraw/zinc/31/22/70/610312270.db2.gz IBMXLNBENNOOSB-UHFFFAOYSA-N 1 2 330.436 0.108 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCn4nccc43)CC2)C1 ZINC000941463092 610321793 /nfs/dbraw/zinc/32/17/93/610321793.db2.gz LMNNLRCGXWSEQD-KRWDZBQOSA-N 1 2 341.459 0.612 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(N(C)C)nc3)CC2)C1 ZINC000941471205 610329735 /nfs/dbraw/zinc/32/97/35/610329735.db2.gz RQUQQXZVOVXDRP-UHFFFAOYSA-N 1 2 327.432 0.223 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@]34CCO[C@H]3CCCC4)CC2)C1 ZINC000941484370 610337575 /nfs/dbraw/zinc/33/75/75/610337575.db2.gz VIDBKKKDYNSYCN-PKOBYXMFSA-N 1 2 331.460 0.797 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCc3ccc(OC)nc3)CC2)C1 ZINC000941484345 610337624 /nfs/dbraw/zinc/33/76/24/610337624.db2.gz URGZXQDRWKQDJU-UHFFFAOYSA-N 1 2 342.443 0.484 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC(=O)N[C@H](CC)C3)CC2)C1 ZINC000941499503 610344112 /nfs/dbraw/zinc/34/41/12/610344112.db2.gz WIORWZYKWUWQQG-JKSUJKDBSA-N 1 2 346.475 0.143 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC(=O)N[C@@H](CC)C3)CC2)C1 ZINC000941499500 610344267 /nfs/dbraw/zinc/34/42/67/610344267.db2.gz WIORWZYKWUWQQG-CVEARBPZSA-N 1 2 346.475 0.143 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@H](C)Cc4cn[nH]c43)CC2)C1 ZINC000941529621 610361481 /nfs/dbraw/zinc/36/14/81/610361481.db2.gz UGSDNTPZGKNYNZ-PBHICJAKSA-N 1 2 341.459 0.537 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3ccc(OC)cn3)CC2)C1 ZINC000941533712 610365121 /nfs/dbraw/zinc/36/51/21/610365121.db2.gz FIFKXFMGFDLUAE-UHFFFAOYSA-N 1 2 328.416 0.094 20 30 ECEDLO C#CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000940873615 610420954 /nfs/dbraw/zinc/42/09/54/610420954.db2.gz RZJUAWLYUMSHHN-KGLIPLIRSA-N 1 2 326.462 0.661 20 30 ECEDLO C#CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000940873615 610420956 /nfs/dbraw/zinc/42/09/56/610420956.db2.gz RZJUAWLYUMSHHN-KGLIPLIRSA-N 1 2 326.462 0.661 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C(=O)N3CCC[C@@H](C)C3)CC2)C1 ZINC000941596808 610413877 /nfs/dbraw/zinc/41/38/77/610413877.db2.gz PRLOEPSSPWXSKE-MRXNPFEDSA-N 1 2 346.475 0.097 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C(=O)N3CCC[C@H](C)C3)CC2)C1 ZINC000941596806 610413891 /nfs/dbraw/zinc/41/38/91/610413891.db2.gz PRLOEPSSPWXSKE-INIZCTEOSA-N 1 2 346.475 0.097 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)c1 ZINC000942370114 610418948 /nfs/dbraw/zinc/41/89/48/610418948.db2.gz GDKUCQPZBBNBGX-OAHLLOKOSA-N 1 2 337.383 0.668 20 30 ECEDLO C=CCn1cccc1C(=O)N1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000941679152 610451832 /nfs/dbraw/zinc/45/18/32/610451832.db2.gz CRNRJBLNYYOBIB-CQSZACIVSA-N 1 2 341.415 0.981 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)/C(C)=C\C)C[C@H]1OC ZINC000942513382 610492324 /nfs/dbraw/zinc/49/23/24/610492324.db2.gz OVFRQCRENVVJFY-HVQDBUECSA-N 1 2 333.432 0.392 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)/C(C)=C\C)C[C@H]1OC ZINC000942513382 610492325 /nfs/dbraw/zinc/49/23/25/610492325.db2.gz OVFRQCRENVVJFY-HVQDBUECSA-N 1 2 333.432 0.392 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1OC ZINC000942513656 610493404 /nfs/dbraw/zinc/49/34/04/610493404.db2.gz WOLSNYNTADOEGL-HZSPNIEDSA-N 1 2 339.411 0.174 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1OC ZINC000942513656 610493406 /nfs/dbraw/zinc/49/34/06/610493406.db2.gz WOLSNYNTADOEGL-HZSPNIEDSA-N 1 2 339.411 0.174 20 30 ECEDLO CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000942531406 610501906 /nfs/dbraw/zinc/50/19/06/610501906.db2.gz PADPWNXIVFIEPK-IACUBPJLSA-N 1 2 347.419 0.428 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3cn(C)nn3)C[C@H]2C)c1 ZINC000942617502 610539516 /nfs/dbraw/zinc/53/95/16/610539516.db2.gz QCFBHXLSMOVEMI-CXAGYDPISA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3cn(C)nn3)C[C@H]2C)c1 ZINC000942617502 610539519 /nfs/dbraw/zinc/53/95/19/610539519.db2.gz QCFBHXLSMOVEMI-CXAGYDPISA-N 1 2 338.415 0.832 20 30 ECEDLO Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](C)C2)[nH]1 ZINC000941965915 610588354 /nfs/dbraw/zinc/58/83/54/610588354.db2.gz FDGPLJNAEQMTIB-GWCFXTLKSA-N 1 2 327.392 0.953 20 30 ECEDLO Cc1nnc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](C)C2)[nH]1 ZINC000941965915 610588357 /nfs/dbraw/zinc/58/83/57/610588357.db2.gz FDGPLJNAEQMTIB-GWCFXTLKSA-N 1 2 327.392 0.953 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ncccc2O)C1 ZINC000941237745 610621850 /nfs/dbraw/zinc/62/18/50/610621850.db2.gz IRZHYOABNXDUEL-KGLIPLIRSA-N 1 2 342.399 0.216 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2ncccc2O)C1 ZINC000941237745 610621852 /nfs/dbraw/zinc/62/18/52/610621852.db2.gz IRZHYOABNXDUEL-KGLIPLIRSA-N 1 2 342.399 0.216 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc(CC)[nH]n2)C1 ZINC000941238113 610622037 /nfs/dbraw/zinc/62/20/37/610622037.db2.gz UYDBRXMDBFJNAK-ZBFHGGJFSA-N 1 2 343.431 0.400 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc(CC)[nH]n2)C1 ZINC000941238113 610622039 /nfs/dbraw/zinc/62/20/39/610622039.db2.gz UYDBRXMDBFJNAK-ZBFHGGJFSA-N 1 2 343.431 0.400 20 30 ECEDLO Cc1ncc(C[NH+]2CC(N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)s1 ZINC000941344971 610682548 /nfs/dbraw/zinc/68/25/48/610682548.db2.gz MMSPUTMFXPAUNH-LBPRGKRZSA-N 1 2 333.461 0.940 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCc3cc(OC)no3)CC2)C1 ZINC000941424022 610724441 /nfs/dbraw/zinc/72/44/41/610724441.db2.gz HNJOGALMIJZNDA-UHFFFAOYSA-N 1 2 346.431 0.468 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCCCN(C(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000943168575 610738219 /nfs/dbraw/zinc/73/82/19/610738219.db2.gz GQCOHEURWGNHED-CYBMUJFWSA-N 1 2 340.387 0.963 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000944149667 610749044 /nfs/dbraw/zinc/74/90/44/610749044.db2.gz YBZHGLQVPOQCGH-CYBMUJFWSA-N 1 2 340.387 0.583 20 30 ECEDLO C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945249807 610982153 /nfs/dbraw/zinc/98/21/53/610982153.db2.gz BTPHIOOJJPBDRY-JSGCOSHPSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945278577 610994447 /nfs/dbraw/zinc/99/44/47/610994447.db2.gz RPWQWZJUDRSEHR-OCCSQVGLSA-N 1 2 340.387 0.750 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]2[C@@H](CCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000945948107 611163910 /nfs/dbraw/zinc/16/39/10/611163910.db2.gz VCRQTCWVEJMFHO-LSDHHAIUSA-N 1 2 326.400 0.815 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)NCCCc2ccccc2)C1 ZINC000923579136 611266909 /nfs/dbraw/zinc/26/69/09/611266909.db2.gz LHIQKSKIEVORQP-QGZVFWFLSA-N 1 2 327.428 0.949 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCCCc2ccccc2)C1 ZINC000923579136 611266910 /nfs/dbraw/zinc/26/69/10/611266910.db2.gz LHIQKSKIEVORQP-QGZVFWFLSA-N 1 2 327.428 0.949 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)NC)o2)C1 ZINC000923583133 611269384 /nfs/dbraw/zinc/26/93/84/611269384.db2.gz RWHMIHXVQOYNQO-LLVKDONJSA-N 1 2 325.390 0.015 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)NC)o2)C1 ZINC000923583133 611269386 /nfs/dbraw/zinc/26/93/86/611269386.db2.gz RWHMIHXVQOYNQO-LLVKDONJSA-N 1 2 325.390 0.015 20 30 ECEDLO N#Cc1cc(C(=O)N2CCC(NC(=O)Cc3[nH]cc[nH+]3)CC2)c[nH]1 ZINC000946518191 611297137 /nfs/dbraw/zinc/29/71/37/611297137.db2.gz SEOWWRBMAYIYJJ-UHFFFAOYSA-N 1 2 326.360 0.573 20 30 ECEDLO C=CCN1CCN(C[N@H+]2CC[C@@](C(=O)NC)(C(F)(F)F)C2)C1=O ZINC000842638357 611318593 /nfs/dbraw/zinc/31/85/93/611318593.db2.gz JQUWWSSRJDAWBA-CYBMUJFWSA-N 1 2 334.342 0.868 20 30 ECEDLO C=CCN1CCN(C[N@@H+]2CC[C@@](C(=O)NC)(C(F)(F)F)C2)C1=O ZINC000842638357 611318594 /nfs/dbraw/zinc/31/85/94/611318594.db2.gz JQUWWSSRJDAWBA-CYBMUJFWSA-N 1 2 334.342 0.868 20 30 ECEDLO C#CCC1(O)CCN(C(=O)c2cccn2CC[NH+]2CCOCC2)CC1 ZINC000922191020 611342462 /nfs/dbraw/zinc/34/24/62/611342462.db2.gz RNWPGISHEAOQPP-UHFFFAOYSA-N 1 2 345.443 0.811 20 30 ECEDLO C#Cc1ccc(NC(=O)CC[NH+]2CCN(S(C)(=O)=O)CC2)cc1 ZINC000929100867 611729307 /nfs/dbraw/zinc/72/93/07/611729307.db2.gz SAOPZZMYWWWNKJ-UHFFFAOYSA-N 1 2 335.429 0.574 20 30 ECEDLO COC(=O)[C@@H](NC(=O)C[NH+]1CCC2(CC1)CC(=O)C=CO2)C(C)C ZINC000933646044 611738183 /nfs/dbraw/zinc/73/81/83/611738183.db2.gz BZBINSIVOXNQJN-HNNXBMFYSA-N 1 2 338.404 0.638 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCSC[C@@H]1c1cnn(C)c1 ZINC000933986877 611764045 /nfs/dbraw/zinc/76/40/45/611764045.db2.gz KCLJCMUQDUUQNP-CYBMUJFWSA-N 1 2 337.449 0.912 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCSC[C@@H]1c1cnn(C)c1 ZINC000933986877 611764046 /nfs/dbraw/zinc/76/40/46/611764046.db2.gz KCLJCMUQDUUQNP-CYBMUJFWSA-N 1 2 337.449 0.912 20 30 ECEDLO CCN(C(=O)c1cc(C#N)c[nH]1)C1C[NH+](Cc2ccn(C)c(=O)c2)C1 ZINC000949854286 611783275 /nfs/dbraw/zinc/78/32/75/611783275.db2.gz LEFCDJMEJVJBIH-UHFFFAOYSA-N 1 2 339.399 0.932 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)c1 ZINC000947124421 611785492 /nfs/dbraw/zinc/78/54/92/611785492.db2.gz MCUJUPCEFDQRQQ-UHFFFAOYSA-N 1 2 340.387 0.963 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)c1 ZINC000947124421 611785493 /nfs/dbraw/zinc/78/54/93/611785493.db2.gz MCUJUPCEFDQRQQ-UHFFFAOYSA-N 1 2 340.387 0.963 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000934490930 611802964 /nfs/dbraw/zinc/80/29/64/611802964.db2.gz SIRPAAITVXIWKZ-ZDUSSCGKSA-N 1 2 329.404 0.878 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000934490930 611802968 /nfs/dbraw/zinc/80/29/68/611802968.db2.gz SIRPAAITVXIWKZ-ZDUSSCGKSA-N 1 2 329.404 0.878 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000950215087 611907443 /nfs/dbraw/zinc/90/74/43/611907443.db2.gz QRHKAFNNORUSQM-WWGRRREGSA-N 1 2 332.404 0.651 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000950215748 611907799 /nfs/dbraw/zinc/90/77/99/611907799.db2.gz YNSZODNGKCSXES-ZQIUZPCESA-N 1 2 346.431 0.959 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)nn1 ZINC000950854824 611947255 /nfs/dbraw/zinc/94/72/55/611947255.db2.gz RXYRVNPIKFPPLX-LBPRGKRZSA-N 1 2 343.391 0.151 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc(C(N)=O)s3)CC2)C1 ZINC000949493437 612004973 /nfs/dbraw/zinc/00/49/73/612004973.db2.gz UYFMQKBUNSYPQI-UHFFFAOYSA-N 1 2 347.440 0.787 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccc(C(N)=O)s3)CC2)C1 ZINC000949493437 612004975 /nfs/dbraw/zinc/00/49/75/612004975.db2.gz UYFMQKBUNSYPQI-UHFFFAOYSA-N 1 2 347.440 0.787 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCc4n[nH]nc4C3)CC2)C1 ZINC000949512279 612015857 /nfs/dbraw/zinc/01/58/57/612015857.db2.gz VBRGTRCYDXUBAC-AWEZNQCLSA-N 1 2 343.431 0.236 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCc4n[nH]nc4C3)CC2)C1 ZINC000949512279 612015859 /nfs/dbraw/zinc/01/58/59/612015859.db2.gz VBRGTRCYDXUBAC-AWEZNQCLSA-N 1 2 343.431 0.236 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3nn(CC)nc3C)CC2)C1 ZINC000949537001 612025175 /nfs/dbraw/zinc/02/51/75/612025175.db2.gz VSGXMLSDAJURSW-UHFFFAOYSA-N 1 2 331.420 0.547 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3nn(CC)nc3C)CC2)C1 ZINC000949537001 612025177 /nfs/dbraw/zinc/02/51/77/612025177.db2.gz VSGXMLSDAJURSW-UHFFFAOYSA-N 1 2 331.420 0.547 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000951941089 612146055 /nfs/dbraw/zinc/14/60/55/612146055.db2.gz FMFBLAISGOJUOS-OCCSQVGLSA-N 1 2 338.371 0.758 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000955444187 612592003 /nfs/dbraw/zinc/59/20/03/612592003.db2.gz RQGKDRUYRQGCNZ-CABCVRRESA-N 1 2 332.404 0.603 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000954106648 612669132 /nfs/dbraw/zinc/66/91/32/612669132.db2.gz CKDBUEBIKYPZJM-UHFFFAOYSA-N 1 2 326.360 0.145 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000955627085 612714527 /nfs/dbraw/zinc/71/45/27/612714527.db2.gz JYBUJZGGHAWSBV-RYUDHWBXSA-N 1 2 340.387 0.961 20 30 ECEDLO CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000954839361 612734659 /nfs/dbraw/zinc/73/46/59/612734659.db2.gz VPWSQGAKODYIHX-UHFFFAOYSA-N 1 2 340.387 0.870 20 30 ECEDLO CN(C(=O)[C@@H](C1CC1)[NH+]1CCOCC1)C1CN(C(=O)C#CC2CC2)C1 ZINC000954427623 612906162 /nfs/dbraw/zinc/90/61/62/612906162.db2.gz WFJQBAUFFBFMHI-GOSISDBHSA-N 1 2 345.443 0.180 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)COC)CC2)C1 ZINC000956579332 612916868 /nfs/dbraw/zinc/91/68/68/612916868.db2.gz XHDAZCJLLAKWOK-QAPCUYQASA-N 1 2 337.464 0.980 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccoc3)C2)CC1 ZINC000956605900 612924674 /nfs/dbraw/zinc/92/46/74/612924674.db2.gz NGXYLVOKQUFMKC-GDBMZVCRSA-N 1 2 344.415 0.727 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000969275029 731664540 /nfs/dbraw/zinc/66/45/40/731664540.db2.gz PMSJQOHKUKVXDO-LJISPDSOSA-N 1 2 341.415 0.807 20 30 ECEDLO C[C@H](NC(=O)[C@H]1CCC(=O)N1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969410531 731819175 /nfs/dbraw/zinc/81/91/75/731819175.db2.gz SADUMQDLRFDDLC-MEDUHNTESA-N 1 2 344.390 0.912 20 30 ECEDLO Cc1ccc(C#N)c(N(C)C[C@@H](O)CN(C)C(=O)Cc2c[nH+]c[nH]2)n1 ZINC001125298168 731886050 /nfs/dbraw/zinc/88/60/50/731886050.db2.gz BBPNSPNDUXNENJ-HNNXBMFYSA-N 1 2 342.403 0.483 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@H]([NH+]2CCN(c3ncccn3)CC2)C1 ZINC001111965184 738565686 /nfs/dbraw/zinc/56/56/86/738565686.db2.gz TZEWDHWZIPKJDO-INIZCTEOSA-N 1 2 345.447 0.792 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001025111942 738669889 /nfs/dbraw/zinc/66/98/89/738669889.db2.gz PTHDYLBLMKUHDE-DZKIICNBSA-N 1 2 348.451 0.662 20 30 ECEDLO C[C@@H](NC(=O)c1nnn(C)n1)C1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000970289940 733314669 /nfs/dbraw/zinc/31/46/69/733314669.db2.gz OJDISQXMTMWWLH-SNVBAGLBSA-N 1 2 343.366 0.471 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2O)C1 ZINC000970395206 733462377 /nfs/dbraw/zinc/46/23/77/733462377.db2.gz TXYVABMOYIHJPK-CABCVRRESA-N 1 2 346.431 0.397 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H](C)C2C[NH+](Cc3cncn3C)C2)nn1 ZINC000970548733 733666123 /nfs/dbraw/zinc/66/61/23/733666123.db2.gz QIPGUPDXIWEVKF-GFCCVEGCSA-N 1 2 329.408 0.448 20 30 ECEDLO C[C@H](CNC(=O)CCc1[nH+]ccn1C)CNc1ccncc1C#N ZINC001104289787 733951712 /nfs/dbraw/zinc/95/17/12/733951712.db2.gz UNLUYWWYHMQTKX-ZDUSSCGKSA-N 1 2 326.404 0.906 20 30 ECEDLO N#Cc1cnccc1NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001111583819 733973894 /nfs/dbraw/zinc/97/38/94/733973894.db2.gz QKZGYGDGOIUQAP-ZIAGYGMSSA-N 1 2 340.387 0.135 20 30 ECEDLO N#Cc1cnccc1NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001111583819 733973896 /nfs/dbraw/zinc/97/38/96/733973896.db2.gz QKZGYGDGOIUQAP-ZIAGYGMSSA-N 1 2 340.387 0.135 20 30 ECEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCS(C)(=O)=O ZINC001111488742 734226912 /nfs/dbraw/zinc/22/69/12/734226912.db2.gz UAUCBFVQOSOBRS-TUVASFSCSA-N 1 2 344.477 0.734 20 30 ECEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCS(C)(=O)=O ZINC001111488742 734226913 /nfs/dbraw/zinc/22/69/13/734226913.db2.gz UAUCBFVQOSOBRS-TUVASFSCSA-N 1 2 344.477 0.734 20 30 ECEDLO CC(C)C#CC(=O)NC[C@H]1CN(c2[nH+]cnc3c2cnn3C)CCO1 ZINC001104315001 734250958 /nfs/dbraw/zinc/25/09/58/734250958.db2.gz KGKFOMVYBFNERW-ZDUSSCGKSA-N 1 2 342.403 0.344 20 30 ECEDLO N#Cc1cnc(N2CCO[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)c(F)c1 ZINC001104325929 734321380 /nfs/dbraw/zinc/32/13/80/734321380.db2.gz AZTZDQITVFYEHV-GFCCVEGCSA-N 1 2 344.350 0.380 20 30 ECEDLO Cc1ccc(C#N)c(N2CCO[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001104326977 734328740 /nfs/dbraw/zinc/32/87/40/734328740.db2.gz WMCYTJFVSXERRM-AWEZNQCLSA-N 1 2 340.387 0.549 20 30 ECEDLO CC(C)(C(=O)N(CCO)CCNc1cncc(C#N)n1)c1c[nH+]c[nH]1 ZINC001111489414 734415323 /nfs/dbraw/zinc/41/53/23/734415323.db2.gz YDMGMDFZMPDTPA-UHFFFAOYSA-N 1 2 343.391 0.282 20 30 ECEDLO N#Cc1cnccc1N1CCO[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001104338278 734436548 /nfs/dbraw/zinc/43/65/48/734436548.db2.gz RHYJNVLWZVSDHW-OAHLLOKOSA-N 1 2 340.387 0.561 20 30 ECEDLO CCn1nncc1C[N@H+](C)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000971372116 734483108 /nfs/dbraw/zinc/48/31/08/734483108.db2.gz UVIGAMGPPLKEBT-CQSZACIVSA-N 1 2 327.392 0.844 20 30 ECEDLO CCn1nncc1C[N@@H+](C)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000971372116 734483111 /nfs/dbraw/zinc/48/31/11/734483111.db2.gz UVIGAMGPPLKEBT-CQSZACIVSA-N 1 2 327.392 0.844 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000971373228 734484229 /nfs/dbraw/zinc/48/42/29/734484229.db2.gz CZUKWOKZLIBDDS-JTQLQIEISA-N 1 2 344.213 0.425 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000971373228 734484231 /nfs/dbraw/zinc/48/42/31/734484231.db2.gz CZUKWOKZLIBDDS-JTQLQIEISA-N 1 2 344.213 0.425 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000973144291 738826074 /nfs/dbraw/zinc/82/60/74/738826074.db2.gz JIPHOMWYIMQSSN-HAQNSBGRSA-N 1 2 326.360 0.538 20 30 ECEDLO C=CCn1cc(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@H](F)CC)C[C@@H]32)nn1 ZINC001083217985 734565648 /nfs/dbraw/zinc/56/56/48/734565648.db2.gz WTOQXSPUCDUFNL-VHDGCEQUSA-N 1 2 337.399 0.737 20 30 ECEDLO C=CCn1cc(C(=O)N2CCO[C@@H]3C[N@H+](C[C@H](F)CC)C[C@@H]32)nn1 ZINC001083217985 734565650 /nfs/dbraw/zinc/56/56/50/734565650.db2.gz WTOQXSPUCDUFNL-VHDGCEQUSA-N 1 2 337.399 0.737 20 30 ECEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000971451614 734609630 /nfs/dbraw/zinc/60/96/30/734609630.db2.gz MCKHXZJCILKWMD-GJZGRUSLSA-N 1 2 346.362 0.838 20 30 ECEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000971451614 734609634 /nfs/dbraw/zinc/60/96/34/734609634.db2.gz MCKHXZJCILKWMD-GJZGRUSLSA-N 1 2 346.362 0.838 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC000971632598 734839764 /nfs/dbraw/zinc/83/97/64/734839764.db2.gz FHIZUZDHMJITFY-NEPJUHHUSA-N 1 2 344.253 0.906 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC000971632598 734839768 /nfs/dbraw/zinc/83/97/68/734839768.db2.gz FHIZUZDHMJITFY-NEPJUHHUSA-N 1 2 344.253 0.906 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC000971632600 734840729 /nfs/dbraw/zinc/84/07/29/734840729.db2.gz FHIZUZDHMJITFY-RYUDHWBXSA-N 1 2 344.253 0.906 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC000971632600 734840732 /nfs/dbraw/zinc/84/07/32/734840732.db2.gz FHIZUZDHMJITFY-RYUDHWBXSA-N 1 2 344.253 0.906 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2ccnn2C)C1 ZINC000971703333 734964120 /nfs/dbraw/zinc/96/41/20/734964120.db2.gz DRWRXXIQMYAIJB-RDJZCZTQSA-N 1 2 329.448 0.550 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2ccnn2C)C1 ZINC000971703333 734964121 /nfs/dbraw/zinc/96/41/21/734964121.db2.gz DRWRXXIQMYAIJB-RDJZCZTQSA-N 1 2 329.448 0.550 20 30 ECEDLO CC(C)N(CCN(C)c1nccnc1C#N)C(=O)Cn1cc[nH+]c1 ZINC001125543011 735005208 /nfs/dbraw/zinc/00/52/08/735005208.db2.gz FMPDURUXMBQYBT-UHFFFAOYSA-N 1 2 327.392 0.918 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3[nH]ncc3Br)[C@H]2C1 ZINC001083225688 735112637 /nfs/dbraw/zinc/11/26/37/735112637.db2.gz IMAFPCQKJLMVIU-WDEREUQCSA-N 1 2 339.193 0.331 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3[nH]ncc3Br)[C@H]2C1 ZINC001083225688 735112639 /nfs/dbraw/zinc/11/26/39/735112639.db2.gz IMAFPCQKJLMVIU-WDEREUQCSA-N 1 2 339.193 0.331 20 30 ECEDLO COCC[N@@H+](CCC#N)CCCN1C(=O)CS/C1=C\C(=O)OC ZINC001167558606 735679385 /nfs/dbraw/zinc/67/93/85/735679385.db2.gz QNPONEIPWSPWHG-KAMYIIQDSA-N 1 2 341.433 0.828 20 30 ECEDLO COCC[N@H+](CCC#N)CCCN1C(=O)CS/C1=C\C(=O)OC ZINC001167558606 735679389 /nfs/dbraw/zinc/67/93/89/735679389.db2.gz QNPONEIPWSPWHG-KAMYIIQDSA-N 1 2 341.433 0.828 20 30 ECEDLO C#CCC1(C(=O)N(CCO)CCNc2cc[nH+]c(C)n2)CCOCC1 ZINC001111515769 735763639 /nfs/dbraw/zinc/76/36/39/735763639.db2.gz LSSNTCIQLXCDSA-UHFFFAOYSA-N 1 2 346.431 0.838 20 30 ECEDLO Cc1nn(C)cc1C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)C#N)C2)C1 ZINC000972296212 735903199 /nfs/dbraw/zinc/90/31/99/735903199.db2.gz AXEQMEHZYWHXSA-CXAGYDPISA-N 1 2 331.420 0.692 20 30 ECEDLO Cc1nn(C)cc1C[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)C#N)C2)C1 ZINC000972296212 735903201 /nfs/dbraw/zinc/90/32/01/735903201.db2.gz AXEQMEHZYWHXSA-CXAGYDPISA-N 1 2 331.420 0.692 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cnnn2CC)C1 ZINC000972372782 736037294 /nfs/dbraw/zinc/03/72/94/736037294.db2.gz IFTQXIRWYGQDFD-BMFZPTHFSA-N 1 2 333.436 0.922 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cnnn2CC)C1 ZINC000972372782 736037301 /nfs/dbraw/zinc/03/73/01/736037301.db2.gz IFTQXIRWYGQDFD-BMFZPTHFSA-N 1 2 333.436 0.922 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn(CCOC)nn3)C2)C1 ZINC000972373427 736037910 /nfs/dbraw/zinc/03/79/10/736037910.db2.gz JYTQKXYRFRDSNR-INIZCTEOSA-N 1 2 335.408 0.027 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(CCOC)nn3)C2)C1 ZINC000972373427 736037916 /nfs/dbraw/zinc/03/79/16/736037916.db2.gz JYTQKXYRFRDSNR-INIZCTEOSA-N 1 2 335.408 0.027 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(N(C)C)cn3)C2)C1 ZINC000972381598 736045926 /nfs/dbraw/zinc/04/59/26/736045926.db2.gz RGWTTZMSIFQSRD-KRWDZBQOSA-N 1 2 331.420 0.646 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(N(C)C)cn3)C2)C1 ZINC000972381598 736045930 /nfs/dbraw/zinc/04/59/30/736045930.db2.gz RGWTTZMSIFQSRD-KRWDZBQOSA-N 1 2 331.420 0.646 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCc4cn[nH]c43)C2)C1 ZINC000972386874 736057005 /nfs/dbraw/zinc/05/70/05/736057005.db2.gz HTZFAXMFFLPWCK-YJBOKZPZSA-N 1 2 328.416 0.766 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCc4cn[nH]c43)C2)C1 ZINC000972386874 736057011 /nfs/dbraw/zinc/05/70/11/736057011.db2.gz HTZFAXMFFLPWCK-YJBOKZPZSA-N 1 2 328.416 0.766 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(C(=O)N(C)C)c3)[C@H]2C1 ZINC001083250786 736085618 /nfs/dbraw/zinc/08/56/18/736085618.db2.gz KTDKAKFYDBPLQV-DLBZAZTESA-N 1 2 341.411 0.547 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(C(=O)N(C)C)c3)[C@H]2C1 ZINC001083250786 736085622 /nfs/dbraw/zinc/08/56/22/736085622.db2.gz KTDKAKFYDBPLQV-DLBZAZTESA-N 1 2 341.411 0.547 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)Cn3ccc(C)n3)C2)C1 ZINC000972394216 736114140 /nfs/dbraw/zinc/11/41/40/736114140.db2.gz AOCGCWFGWCBOTM-YJBOKZPZSA-N 1 2 330.432 0.764 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)Cn3ccc(C)n3)C2)C1 ZINC000972394216 736114143 /nfs/dbraw/zinc/11/41/43/736114143.db2.gz AOCGCWFGWCBOTM-YJBOKZPZSA-N 1 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/nfs/dbraw/zinc/19/86/24/736198624.db2.gz ZMEWZYGRNTVVNU-LPHOPBHVSA-N 1 2 342.443 0.772 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3cc(C4CC4)cn3)C2)C1 ZINC000972440698 736199200 /nfs/dbraw/zinc/19/92/00/736199200.db2.gz JRZFMWDTHXNUHR-SFHVURJKSA-N 1 2 328.416 0.697 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3cc(C4CC4)cn3)C2)C1 ZINC000972440698 736199204 /nfs/dbraw/zinc/19/92/04/736199204.db2.gz JRZFMWDTHXNUHR-SFHVURJKSA-N 1 2 328.416 0.697 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)C2)C1 ZINC000972455842 736244203 /nfs/dbraw/zinc/24/42/03/736244203.db2.gz LACNBWXABIDAER-WMLDXEAASA-N 1 2 336.436 0.266 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)C2)C1 ZINC000972455842 736244207 /nfs/dbraw/zinc/24/42/07/736244207.db2.gz LACNBWXABIDAER-WMLDXEAASA-N 1 2 336.436 0.266 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccc(=O)[nH]c3)C2)C1 ZINC000972470171 736278749 /nfs/dbraw/zinc/27/87/49/736278749.db2.gz SKIVOUCEJPDDSK-SFHVURJKSA-N 1 2 329.400 0.656 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccc(=O)[nH]c3)C2)C1 ZINC000972470171 736278752 /nfs/dbraw/zinc/27/87/52/736278752.db2.gz SKIVOUCEJPDDSK-SFHVURJKSA-N 1 2 329.400 0.656 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001022956897 736317711 /nfs/dbraw/zinc/31/77/11/736317711.db2.gz GIGDQZLNUXBWSN-TXEJJXNPSA-N 1 2 343.391 0.221 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)C[N@H+](CCn1cncn1)CCO2 ZINC000972495948 736399654 /nfs/dbraw/zinc/39/96/54/736399654.db2.gz BUNPUQDROLJCBI-KRWDZBQOSA-N 1 2 333.436 0.794 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)C[N@@H+](CCn1cncn1)CCO2 ZINC000972495948 736399658 /nfs/dbraw/zinc/39/96/58/736399658.db2.gz BUNPUQDROLJCBI-KRWDZBQOSA-N 1 2 333.436 0.794 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H](C)OC2(CC[NH+](Cc3cnn(C)n3)CC2)C1 ZINC001098574604 736417918 /nfs/dbraw/zinc/41/79/18/736417918.db2.gz OZQDZHAFXTVOMO-KBPBESRZSA-N 1 2 346.435 0.557 20 30 ECEDLO N#Cc1ccc(NCC2(O)CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)cn1 ZINC001067487299 736553162 /nfs/dbraw/zinc/55/31/62/736553162.db2.gz LRFIFYPKLLBQMZ-UHFFFAOYSA-N 1 2 340.387 0.684 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)C1 ZINC000972553206 736711891 /nfs/dbraw/zinc/71/18/91/736711891.db2.gz BSECOKWNTJZNPP-VKJFTORMSA-N 1 2 333.432 0.037 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)C1 ZINC000972553206 736711894 /nfs/dbraw/zinc/71/18/94/736711894.db2.gz BSECOKWNTJZNPP-VKJFTORMSA-N 1 2 333.432 0.037 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3nnc4c3CCCC4)C2)C1 ZINC000972553235 736712522 /nfs/dbraw/zinc/71/25/22/736712522.db2.gz CGVWWYKWWTWUPS-GOSISDBHSA-N 1 2 343.431 0.093 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3nnc4c3CCCC4)C2)C1 ZINC000972553235 736712526 /nfs/dbraw/zinc/71/25/26/736712526.db2.gz CGVWWYKWWTWUPS-GOSISDBHSA-N 1 2 343.431 0.093 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)C2)C1 ZINC000972574128 736896055 /nfs/dbraw/zinc/89/60/55/736896055.db2.gz WYVKVGFJPXUQBU-QAPCUYQASA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)C2)C1 ZINC000972574128 736896059 /nfs/dbraw/zinc/89/60/59/736896059.db2.gz WYVKVGFJPXUQBU-QAPCUYQASA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3cn(C)nc3C)C2)C1 ZINC000972580707 736931468 /nfs/dbraw/zinc/93/14/68/736931468.db2.gz ANMXKDVXNAIJHB-GOSISDBHSA-N 1 2 330.432 0.598 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3cn(C)nc3C)C2)C1 ZINC000972580707 736931474 /nfs/dbraw/zinc/93/14/74/736931474.db2.gz ANMXKDVXNAIJHB-GOSISDBHSA-N 1 2 330.432 0.598 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CCC[C@H](C)C3)C2)C1 ZINC000972585395 736970264 /nfs/dbraw/zinc/97/02/64/736970264.db2.gz LZCMOMLKYWRSLL-MAUKXSAKSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CCC[C@H](C)C3)C2)C1 ZINC000972585395 736970269 /nfs/dbraw/zinc/97/02/69/736970269.db2.gz LZCMOMLKYWRSLL-MAUKXSAKSA-N 1 2 333.432 0.181 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)N3CCOCC3)C2)C1 ZINC000972598162 737042892 /nfs/dbraw/zinc/04/28/92/737042892.db2.gz AVONDRHGRFXSJP-GOSISDBHSA-N 1 2 337.464 0.587 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)N3CCOCC3)C2)C1 ZINC000972598162 737042894 /nfs/dbraw/zinc/04/28/94/737042894.db2.gz AVONDRHGRFXSJP-GOSISDBHSA-N 1 2 337.464 0.587 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC(C)(F)F)[C@H](OC)C1 ZINC001213406862 737071758 /nfs/dbraw/zinc/07/17/58/737071758.db2.gz AARYAEIPNURRIK-QJPTWQEYSA-N 1 2 333.379 0.538 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC(C)(F)F)[C@H](OC)C1 ZINC001213406862 737071760 /nfs/dbraw/zinc/07/17/60/737071760.db2.gz AARYAEIPNURRIK-QJPTWQEYSA-N 1 2 333.379 0.538 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C(C)C)nn3)C2)C1 ZINC000972617113 737105119 /nfs/dbraw/zinc/10/51/19/737105119.db2.gz MNLHSUXWHVGOJN-KRWDZBQOSA-N 1 2 331.420 0.799 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C(C)C)nn3)C2)C1 ZINC000972617113 737105121 /nfs/dbraw/zinc/10/51/21/737105121.db2.gz MNLHSUXWHVGOJN-KRWDZBQOSA-N 1 2 331.420 0.799 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCN(C(C)=O)C3)C2)C1 ZINC000972628113 737150436 /nfs/dbraw/zinc/15/04/36/737150436.db2.gz NZTDKJKJGLBWLP-RBUKOAKNSA-N 1 2 347.459 0.572 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCN(C(C)=O)C3)C2)C1 ZINC000972628113 737150438 /nfs/dbraw/zinc/15/04/38/737150438.db2.gz NZTDKJKJGLBWLP-RBUKOAKNSA-N 1 2 347.459 0.572 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C2)C1 ZINC000972678981 737360370 /nfs/dbraw/zinc/36/03/70/737360370.db2.gz YLZFIJRPZMKYEM-SFHVURJKSA-N 1 2 346.431 0.831 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C2)C1 ZINC000972678981 737360373 /nfs/dbraw/zinc/36/03/73/737360373.db2.gz YLZFIJRPZMKYEM-SFHVURJKSA-N 1 2 346.431 0.831 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3noc4c3COCC4)C2)C1 ZINC000972681883 737369116 /nfs/dbraw/zinc/36/91/16/737369116.db2.gz BUQBXWUZRUDLMB-KRWDZBQOSA-N 1 2 333.388 0.850 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3noc4c3COCC4)C2)C1 ZINC000972681883 737369118 /nfs/dbraw/zinc/36/91/18/737369118.db2.gz BUQBXWUZRUDLMB-KRWDZBQOSA-N 1 2 333.388 0.850 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nnc(C)n4C3)C2)C1 ZINC000972689427 737387440 /nfs/dbraw/zinc/38/74/40/737387440.db2.gz YHPBEXBRSMKTSC-CRAIPNDOSA-N 1 2 345.447 0.638 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nnc(C)n4C3)C2)C1 ZINC000972689427 737387446 /nfs/dbraw/zinc/38/74/46/737387446.db2.gz YHPBEXBRSMKTSC-CRAIPNDOSA-N 1 2 345.447 0.638 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C(C)C)N3CCCC3=O)C2)C1 ZINC000972694333 737402292 /nfs/dbraw/zinc/40/22/92/737402292.db2.gz BDTKUEXZXIAVPS-HKUYNNGSSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C(C)C)N3CCCC3=O)C2)C1 ZINC000972694333 737402296 /nfs/dbraw/zinc/40/22/96/737402296.db2.gz BDTKUEXZXIAVPS-HKUYNNGSSA-N 1 2 347.459 0.570 20 30 ECEDLO N#Cc1ccc(NCCN(CCO)C(=O)CCCn2cc[nH+]c2)nc1 ZINC001111485135 737786788 /nfs/dbraw/zinc/78/67/88/737786788.db2.gz YWJJYNCAJKDNMX-UHFFFAOYSA-N 1 2 342.403 0.863 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N(CCO)CCNc1ccc(C#N)cn1 ZINC001111492622 738127232 /nfs/dbraw/zinc/12/72/32/738127232.db2.gz IGZMINDMALFBRV-UHFFFAOYSA-N 1 2 328.376 0.460 20 30 ECEDLO Cn1nnc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)n1 ZINC001024607757 738161696 /nfs/dbraw/zinc/16/16/96/738161696.db2.gz ISXZADFPRISFLN-HNNXBMFYSA-N 1 2 339.403 0.866 20 30 ECEDLO Cn1nnc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)n1 ZINC001024607757 738161700 /nfs/dbraw/zinc/16/17/00/738161700.db2.gz ISXZADFPRISFLN-HNNXBMFYSA-N 1 2 339.403 0.866 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(C(=O)NC)c3)[C@H]2C1 ZINC001083280386 739273328 /nfs/dbraw/zinc/27/33/28/739273328.db2.gz PQCUETMPEVQIDK-JKSUJKDBSA-N 1 2 327.384 0.205 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(C(=O)NC)c3)[C@H]2C1 ZINC001083280386 739273333 /nfs/dbraw/zinc/27/33/33/739273333.db2.gz PQCUETMPEVQIDK-JKSUJKDBSA-N 1 2 327.384 0.205 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2O)CC1 ZINC001025489277 739652234 /nfs/dbraw/zinc/65/22/34/739652234.db2.gz JKIHIIGFESSUFU-ZIAGYGMSSA-N 1 2 332.404 0.387 20 30 ECEDLO N#Cc1nccnc1N1CCC2(C[C@@H]2NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001058639973 739657418 /nfs/dbraw/zinc/65/74/18/739657418.db2.gz WVEXYNGMNJQFAF-ZDUSSCGKSA-N 1 2 337.387 0.789 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C2)nn1 ZINC001098607683 740519199 /nfs/dbraw/zinc/51/91/99/740519199.db2.gz COHXLLOUSWCQSD-MRXNPFEDSA-N 1 2 340.387 0.112 20 30 ECEDLO C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc(COC)s3)[C@H]2C1 ZINC001083292592 740687685 /nfs/dbraw/zinc/68/76/85/740687685.db2.gz MZQJXWPJIBLNJX-QWHCGFSZSA-N 1 2 335.429 0.838 20 30 ECEDLO C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc(COC)s3)[C@H]2C1 ZINC001083292592 740687688 /nfs/dbraw/zinc/68/76/88/740687688.db2.gz MZQJXWPJIBLNJX-QWHCGFSZSA-N 1 2 335.429 0.838 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(C)C)C2)nn1 ZINC001098615633 741097504 /nfs/dbraw/zinc/09/75/04/741097504.db2.gz XHUPAPZBHOMYJW-CQSZACIVSA-N 1 2 334.424 0.099 20 30 ECEDLO C#CCNC(=O)CC(=O)N1CCC[C@H]([C@@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001105077358 741307945 /nfs/dbraw/zinc/30/79/45/741307945.db2.gz MTKUAPXYPCIMJW-HIFRSBDPSA-N 1 2 343.431 0.964 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[N@@H+](Cc3ccnn3C)CC2)nn1 ZINC000982142660 751638702 /nfs/dbraw/zinc/63/87/02/751638702.db2.gz HFJZGIXNPAUSJB-UHFFFAOYSA-N 1 2 343.435 0.936 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[N@H+](Cc3ccnn3C)CC2)nn1 ZINC000982142660 751638705 /nfs/dbraw/zinc/63/87/05/751638705.db2.gz HFJZGIXNPAUSJB-UHFFFAOYSA-N 1 2 343.435 0.936 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(OC)ns3)C2)nn1 ZINC001105243092 741543911 /nfs/dbraw/zinc/54/39/11/741543911.db2.gz UWXYGNUEMFYMLC-UHFFFAOYSA-N 1 2 346.416 0.553 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)Cn3ccc(C)n3)C2)nn1 ZINC001105249080 741552080 /nfs/dbraw/zinc/55/20/80/741552080.db2.gz IEBBQNZLIAWWLD-ZDUSSCGKSA-N 1 2 341.419 0.225 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000982134840 751648496 /nfs/dbraw/zinc/64/84/96/751648496.db2.gz IYXOCRAQJUJANL-XHSDSOJGSA-N 1 2 335.448 0.781 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000982134840 751648501 /nfs/dbraw/zinc/64/85/01/751648501.db2.gz IYXOCRAQJUJANL-XHSDSOJGSA-N 1 2 335.448 0.781 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3conc3C(C)C)C2)nn1 ZINC001105256524 741571289 /nfs/dbraw/zinc/57/12/89/741571289.db2.gz HTKPTIMJQCGQGO-UHFFFAOYSA-N 1 2 328.376 0.809 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3cnc(C)o3)C2)nn1 ZINC001105256704 741571627 /nfs/dbraw/zinc/57/16/27/741571627.db2.gz OCIXNHQGOIJLEN-UHFFFAOYSA-N 1 2 328.376 0.313 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)[nH]nc3Cl)C2)nn1 ZINC001105256917 741572774 /nfs/dbraw/zinc/57/27/74/741572774.db2.gz ZCCPFVXPAAKDKR-UHFFFAOYSA-N 1 2 347.810 0.773 20 30 ECEDLO CC(C)[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)Nc1ccnc(C#N)n1 ZINC001105291433 741653043 /nfs/dbraw/zinc/65/30/43/741653043.db2.gz IXCUAQBSWIXWRX-JSGCOSHPSA-N 1 2 341.419 0.925 20 30 ECEDLO CC(C)[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)Nc1ccnc(C#N)n1 ZINC001105291433 741653045 /nfs/dbraw/zinc/65/30/45/741653045.db2.gz IXCUAQBSWIXWRX-JSGCOSHPSA-N 1 2 341.419 0.925 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@](C)(C=C)CCOC)C2)nn1 ZINC001105292574 741654224 /nfs/dbraw/zinc/65/42/24/741654224.db2.gz VTWQZGCMFKKGOB-KRWDZBQOSA-N 1 2 331.420 0.613 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CC(C)(C)COC)C2)nn1 ZINC001105292521 741657002 /nfs/dbraw/zinc/65/70/02/741657002.db2.gz SNJGRTBLNJPUMV-UHFFFAOYSA-N 1 2 333.436 0.837 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)C(F)(F)F)C2)nn1 ZINC001105301194 741685397 /nfs/dbraw/zinc/68/53/97/741685397.db2.gz KRNQBGFZKUPMDJ-SNVBAGLBSA-N 1 2 329.326 0.973 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ncccc3OC)C2)nn1 ZINC001105312654 741731758 /nfs/dbraw/zinc/73/17/58/741731758.db2.gz WNJLZYQMKRRSIO-UHFFFAOYSA-N 1 2 340.387 0.031 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3C[C@@H]3C)C2)nn1 ZINC001105318943 741764837 /nfs/dbraw/zinc/76/48/37/741764837.db2.gz UXTBXWGAJIPWPH-QWHCGFSZSA-N 1 2 346.435 0.099 20 30 ECEDLO Cc1cc(C#N)nc(N(C)CCCN(C)C(=O)Cn2cc[nH+]c2)n1 ZINC001112100341 741774447 /nfs/dbraw/zinc/77/44/47/741774447.db2.gz OCLWWWGLGZKGEV-UHFFFAOYSA-N 1 2 327.392 0.838 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC34CC(OCC)C4)C2)nn1 ZINC001105326706 741809181 /nfs/dbraw/zinc/80/91/81/741809181.db2.gz CKUVAWUVQXXWKE-UPTPFMHGSA-N 1 2 343.431 0.589 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C(C)(C)C1 ZINC000974678756 741994866 /nfs/dbraw/zinc/99/48/66/741994866.db2.gz NJCMDJOQWFLMQF-UWVGGRQHSA-N 1 2 328.800 0.164 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C(C)(C)C1 ZINC000974678756 741994872 /nfs/dbraw/zinc/99/48/72/741994872.db2.gz NJCMDJOQWFLMQF-UWVGGRQHSA-N 1 2 328.800 0.164 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2ncnn2C)CC1(C)C ZINC000974688474 742008017 /nfs/dbraw/zinc/00/80/17/742008017.db2.gz ZJTWOVNBGFYWCO-GJZGRUSLSA-N 1 2 344.463 0.239 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2ncnn2C)CC1(C)C ZINC000974688474 742008022 /nfs/dbraw/zinc/00/80/22/742008022.db2.gz ZJTWOVNBGFYWCO-GJZGRUSLSA-N 1 2 344.463 0.239 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC000974979240 742406580 /nfs/dbraw/zinc/40/65/80/742406580.db2.gz HBAQIZDMVNUSQN-UMVBOHGHSA-N 1 2 342.399 0.852 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@]2(C)C[N@H+](Cc3nc(N(C)C)no3)C[C@]2(C)C1 ZINC000982235978 751735637 /nfs/dbraw/zinc/73/56/37/751735637.db2.gz ABZLYLARNLPLSF-JLZZUVOBSA-N 1 2 346.435 0.966 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@]2(C)C[N@@H+](Cc3nc(N(C)C)no3)C[C@]2(C)C1 ZINC000982235978 751735641 /nfs/dbraw/zinc/73/56/41/751735641.db2.gz ABZLYLARNLPLSF-JLZZUVOBSA-N 1 2 346.435 0.966 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000988272038 751756462 /nfs/dbraw/zinc/75/64/62/751756462.db2.gz UWRVZZVNBSJSFG-ZNMIVQPWSA-N 1 2 346.431 0.850 20 30 ECEDLO N#CCSCC(=O)NCC[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001059865317 751756630 /nfs/dbraw/zinc/75/66/30/751756630.db2.gz NMVJPHZRXCAYON-ZDUSSCGKSA-N 1 2 335.433 0.495 20 30 ECEDLO C=C(C)C[NH2+]C1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC000997102208 743237191 /nfs/dbraw/zinc/23/71/91/743237191.db2.gz XKTGCJHJUCWEKA-UHFFFAOYSA-N 1 2 330.392 0.228 20 30 ECEDLO N#Cc1ccc(C(=O)NCC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)[nH]1 ZINC001059867628 751820314 /nfs/dbraw/zinc/82/03/14/751820314.db2.gz RWMOXMRBTKYBGC-ZDUSSCGKSA-N 1 2 340.387 0.751 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)COCC(F)F)C2)nn1 ZINC001098694587 743445597 /nfs/dbraw/zinc/44/55/97/743445597.db2.gz FBTCRGZIEDWTRK-GFCCVEGCSA-N 1 2 327.335 0.056 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCCCC(=O)NC)C2)nn1 ZINC001105381284 743452897 /nfs/dbraw/zinc/45/28/97/743452897.db2.gz WIYUVLFKQRJRQB-UHFFFAOYSA-N 1 2 346.435 0.081 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](OC)C3CCC3)C2)nn1 ZINC001098694717 743470462 /nfs/dbraw/zinc/47/04/62/743470462.db2.gz HMMMKZTYDKKMQY-DLBZAZTESA-N 1 2 345.447 0.980 20 30 ECEDLO C#CCOc1ccc(C(=O)N2CC(NC(=O)Cc3[nH]cc[nH+]3)C2)cc1 ZINC000998386220 744141728 /nfs/dbraw/zinc/14/17/28/744141728.db2.gz GIAFEZOSFVFYQT-UHFFFAOYSA-N 1 2 338.367 0.605 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cc[nH+]c2)c1 ZINC000976764030 744305338 /nfs/dbraw/zinc/30/53/38/744305338.db2.gz KTTIEZSIUGPUOW-QLPKVWCKSA-N 1 2 335.367 0.146 20 30 ECEDLO CN(C)c1noc(C[NH2+][C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000998958455 744429604 /nfs/dbraw/zinc/42/96/04/744429604.db2.gz WCYBPOFJPVMLJT-GFCCVEGCSA-N 1 2 343.391 0.730 20 30 ECEDLO C#Cc1cncc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)c1 ZINC000999319474 744623475 /nfs/dbraw/zinc/62/34/75/744623475.db2.gz JKNMOBJKMMCPJB-HZPDHXFCSA-N 1 2 349.394 0.541 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2[C@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@H]32)c1 ZINC000977155767 744724122 /nfs/dbraw/zinc/72/41/22/744724122.db2.gz DKHMCAQQLUCGPS-VQFNDLOPSA-N 1 2 349.394 0.536 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001006910420 751967210 /nfs/dbraw/zinc/96/72/10/751967210.db2.gz SKMAVILLFISAIX-MAZHCROVSA-N 1 2 346.431 0.897 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001006910420 751967213 /nfs/dbraw/zinc/96/72/13/751967213.db2.gz SKMAVILLFISAIX-MAZHCROVSA-N 1 2 346.431 0.897 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnn(C)n3)C2)cc1 ZINC001020696526 751986457 /nfs/dbraw/zinc/98/64/57/751986457.db2.gz PPWNSNQQBVAPBL-HDJSIYSDSA-N 1 2 340.387 0.273 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C(C)(C)C1 ZINC000977659678 745352992 /nfs/dbraw/zinc/35/29/92/745352992.db2.gz KLWNVKWOAKJMDR-QWRGUYRKSA-N 1 2 327.812 0.618 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C(C)(C)C1 ZINC000977659678 745352994 /nfs/dbraw/zinc/35/29/94/745352994.db2.gz KLWNVKWOAKJMDR-QWRGUYRKSA-N 1 2 327.812 0.618 20 30 ECEDLO O=C(Cn1ncnn1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029310803 745670640 /nfs/dbraw/zinc/67/06/40/745670640.db2.gz KRLOCAJAQLZXTL-CALCHBBNSA-N 1 2 336.399 0.400 20 30 ECEDLO O=C(Cn1ncnn1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029310803 745670643 /nfs/dbraw/zinc/67/06/43/745670643.db2.gz KRLOCAJAQLZXTL-CALCHBBNSA-N 1 2 336.399 0.400 20 30 ECEDLO CCc1nc(C#N)cc(N[C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001059283394 745671994 /nfs/dbraw/zinc/67/19/94/745671994.db2.gz CGZBLLCOGJWXOY-XYPYZODXSA-N 1 2 325.376 0.936 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)C(=O)C(C)(C)C ZINC000977928183 745682402 /nfs/dbraw/zinc/68/24/02/745682402.db2.gz MUJCTUDONPCLLY-CABCVRRESA-N 1 2 347.459 0.759 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)C(=O)C(C)(C)C ZINC000977928183 745682405 /nfs/dbraw/zinc/68/24/05/745682405.db2.gz MUJCTUDONPCLLY-CABCVRRESA-N 1 2 347.459 0.759 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3nccn3C)C2)nn1 ZINC001027606409 746130977 /nfs/dbraw/zinc/13/09/77/746130977.db2.gz FHKGLPBOUIVBCE-CQSZACIVSA-N 1 2 343.435 0.934 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3nccn3C)C2)nn1 ZINC001027606409 746130981 /nfs/dbraw/zinc/13/09/81/746130981.db2.gz FHKGLPBOUIVBCE-CQSZACIVSA-N 1 2 343.435 0.934 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@H](n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001098705809 746331218 /nfs/dbraw/zinc/33/12/18/746331218.db2.gz KKDYYHKSMVGGEQ-ZFWWWQNUSA-N 1 2 348.451 0.489 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000984364849 746351391 /nfs/dbraw/zinc/35/13/91/746351391.db2.gz LZCIAZWGNZLYKK-XHSDSOJGSA-N 1 2 346.431 0.924 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001001516435 746454346 /nfs/dbraw/zinc/45/43/46/746454346.db2.gz ZQXFARGGUSHXSJ-NSHDSACASA-N 1 2 340.387 0.676 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001001516435 746454351 /nfs/dbraw/zinc/45/43/51/746454351.db2.gz ZQXFARGGUSHXSJ-NSHDSACASA-N 1 2 340.387 0.676 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)/C=C(\C)C2CC2)[C@H](OC)C1 ZINC001211957775 752112178 /nfs/dbraw/zinc/11/21/78/752112178.db2.gz ZMBCLUQSGZJSLR-KKWMCUJWSA-N 1 2 333.432 0.296 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)/C=C(\C)C2CC2)[C@H](OC)C1 ZINC001211957775 752112180 /nfs/dbraw/zinc/11/21/80/752112180.db2.gz ZMBCLUQSGZJSLR-KKWMCUJWSA-N 1 2 333.432 0.296 20 30 ECEDLO Cn1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)n1 ZINC001087938743 746688683 /nfs/dbraw/zinc/68/86/83/746688683.db2.gz JGFVLNIFRWRXQW-OLZOCXBDSA-N 1 2 339.403 0.609 20 30 ECEDLO Cn1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)n1 ZINC001087938743 746688684 /nfs/dbraw/zinc/68/86/84/746688684.db2.gz JGFVLNIFRWRXQW-OLZOCXBDSA-N 1 2 339.403 0.609 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCO[C@H]3C(=C)C)C2)nn1 ZINC001105340722 746748935 /nfs/dbraw/zinc/74/89/35/746748935.db2.gz MZMSGOKLXDNXBM-IRXDYDNUSA-N 1 2 343.431 0.756 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cnon4)C[C@H]32)nn1 ZINC000978813697 746760065 /nfs/dbraw/zinc/76/00/65/746760065.db2.gz HREQYNUQAQJOAB-ZSOGYDGISA-N 1 2 343.391 0.345 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cnon4)C[C@H]32)nn1 ZINC000978813697 746760070 /nfs/dbraw/zinc/76/00/70/746760070.db2.gz HREQYNUQAQJOAB-ZSOGYDGISA-N 1 2 343.391 0.345 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000984710813 746869387 /nfs/dbraw/zinc/86/93/87/746869387.db2.gz ZZFXZXBYVXZDGX-OAGGEKHMSA-N 1 2 346.431 0.993 20 30 ECEDLO Cc1c[nH+]c2cc(C(=O)NCC3CN(C(=O)[C@@H](C)C#N)C3)ccn12 ZINC001002065084 746942644 /nfs/dbraw/zinc/94/26/44/746942644.db2.gz ABNZZJPRZKAGOG-NSHDSACASA-N 1 2 325.372 0.991 20 30 ECEDLO CCCC[C@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CSCC#N)[C@H](OC)C1 ZINC001211888689 747127320 /nfs/dbraw/zinc/12/73/20/747127320.db2.gz JQMFELNCRYQLKX-JHJVBQTASA-N 1 2 342.465 0.103 20 30 ECEDLO CCCC[C@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CSCC#N)[C@H](OC)C1 ZINC001211888689 747127325 /nfs/dbraw/zinc/12/73/25/747127325.db2.gz JQMFELNCRYQLKX-JHJVBQTASA-N 1 2 342.465 0.103 20 30 ECEDLO CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@H]2CCN(CC#N)C[C@H]2C1 ZINC001088053008 747159245 /nfs/dbraw/zinc/15/92/45/747159245.db2.gz QLSNDRASWLPEDL-IKGGRYGDSA-N 1 2 334.464 0.791 20 30 ECEDLO CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@H]2CCN(CC#N)C[C@H]2C1 ZINC001088053008 747159249 /nfs/dbraw/zinc/15/92/49/747159249.db2.gz QLSNDRASWLPEDL-IKGGRYGDSA-N 1 2 334.464 0.791 20 30 ECEDLO C[C@H]([NH2+]Cc1csnn1)[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979285302 747534244 /nfs/dbraw/zinc/53/42/44/747534244.db2.gz BTGPAQSESIJRTP-HZMBPMFUSA-N 1 2 346.416 0.757 20 30 ECEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2COCCN2C)CC1 ZINC001002641476 747605357 /nfs/dbraw/zinc/60/53/57/747605357.db2.gz HEGJCFNUDKZQSB-ZDUSSCGKSA-N 1 2 346.269 0.806 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(CC)[nH]n2)C1 ZINC001002830109 747846022 /nfs/dbraw/zinc/84/60/22/747846022.db2.gz QKSQCOSDJRXCMY-INIZCTEOSA-N 1 2 343.431 0.258 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(CC)[nH]n2)C1 ZINC001002830109 747846026 /nfs/dbraw/zinc/84/60/26/747846026.db2.gz QKSQCOSDJRXCMY-INIZCTEOSA-N 1 2 343.431 0.258 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CC3CCCCC3)[C@@H](O)C2)C1=O ZINC001083327260 752224046 /nfs/dbraw/zinc/22/40/46/752224046.db2.gz LASPBSRUZSRWGN-ZACQAIPSSA-N 1 2 349.475 0.905 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CC3CCCCC3)[C@@H](O)C2)C1=O ZINC001083327260 752224051 /nfs/dbraw/zinc/22/40/51/752224051.db2.gz LASPBSRUZSRWGN-ZACQAIPSSA-N 1 2 349.475 0.905 20 30 ECEDLO N#CCN1CC[C@H](OCC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001088239917 747934058 /nfs/dbraw/zinc/93/40/58/747934058.db2.gz KUCCMFDTMQTKFP-HNNXBMFYSA-N 1 2 331.420 0.805 20 30 ECEDLO CCn1nncc1C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001027831932 748294844 /nfs/dbraw/zinc/29/48/44/748294844.db2.gz XOIRDJGYECNXLG-ZDUSSCGKSA-N 1 2 327.392 0.892 20 30 ECEDLO CCn1nncc1C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001027831932 748294847 /nfs/dbraw/zinc/29/48/47/748294847.db2.gz XOIRDJGYECNXLG-ZDUSSCGKSA-N 1 2 327.392 0.892 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3nnnn3C)C2)cc1 ZINC001029798397 748458201 /nfs/dbraw/zinc/45/82/01/748458201.db2.gz KCTYZFLUZWIXGW-OAHLLOKOSA-N 1 2 338.415 0.786 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)Cc3nnnn3C)C2)cc1 ZINC001029798397 748458206 /nfs/dbraw/zinc/45/82/06/748458206.db2.gz KCTYZFLUZWIXGW-OAHLLOKOSA-N 1 2 338.415 0.786 20 30 ECEDLO O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12 ZINC000979820725 748506590 /nfs/dbraw/zinc/50/65/90/748506590.db2.gz ZCEBESWPXFWWMD-BZUAXINKSA-N 1 2 326.400 0.650 20 30 ECEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2nnn(C)n2)CC1 ZINC001003446722 748563516 /nfs/dbraw/zinc/56/35/16/748563516.db2.gz DFVNXFONMPLIDM-UHFFFAOYSA-N 1 2 329.202 0.313 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3ccc(C)nn3)C2)C1=O ZINC001007315030 752282820 /nfs/dbraw/zinc/28/28/20/752282820.db2.gz JKNVZIWDWCGKFE-GOEBONIOSA-N 1 2 343.431 0.766 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3ccc(C)nn3)C2)C1=O ZINC001007315030 752282827 /nfs/dbraw/zinc/28/28/27/752282827.db2.gz JKNVZIWDWCGKFE-GOEBONIOSA-N 1 2 343.431 0.766 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3cc[nH]n3)CC2)CC1 ZINC000985824561 749177385 /nfs/dbraw/zinc/17/73/85/749177385.db2.gz FTTUDQAEKYUWJE-UHFFFAOYSA-N 1 2 332.408 0.091 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H](C)SC)CC2)CC1 ZINC000985825965 749183717 /nfs/dbraw/zinc/18/37/17/749183717.db2.gz PERMMKMUDLCTFE-AWEZNQCLSA-N 1 2 340.493 0.806 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CC3(F)F)CC2)CC1 ZINC000985827828 749188213 /nfs/dbraw/zinc/18/82/13/749188213.db2.gz CFAUTDLQDQDBIG-ZDUSSCGKSA-N 1 2 342.390 0.709 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccc(F)nc3)C2)nn1 ZINC001098632720 749465733 /nfs/dbraw/zinc/46/57/33/749465733.db2.gz DZYMLPKPZIRJKF-CQSZACIVSA-N 1 2 328.351 0.622 20 30 ECEDLO Cn1cc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)ncc1=O ZINC001004490408 749563638 /nfs/dbraw/zinc/56/36/38/749563638.db2.gz RCNOWFBFHCIPNM-HNNXBMFYSA-N 1 2 329.404 0.620 20 30 ECEDLO Cn1cc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)ncc1=O ZINC001004490408 749563641 /nfs/dbraw/zinc/56/36/41/749563641.db2.gz RCNOWFBFHCIPNM-HNNXBMFYSA-N 1 2 329.404 0.620 20 30 ECEDLO Cn1cnn(CCC(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)c1=O ZINC001004494690 749566680 /nfs/dbraw/zinc/56/66/80/749566680.db2.gz RDLJKGPQGHGCMZ-OAHLLOKOSA-N 1 2 346.435 0.198 20 30 ECEDLO Cn1cnn(CCC(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)c1=O ZINC001004494690 749566683 /nfs/dbraw/zinc/56/66/83/749566683.db2.gz RDLJKGPQGHGCMZ-OAHLLOKOSA-N 1 2 346.435 0.198 20 30 ECEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ccc(C(N)=O)[nH]2)CC1 ZINC001004549426 749610415 /nfs/dbraw/zinc/61/04/15/749610415.db2.gz ZBPQNTQEMQVRPX-HNNXBMFYSA-N 1 2 329.404 0.954 20 30 ECEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ccc(C(N)=O)[nH]2)CC1 ZINC001004549426 749610417 /nfs/dbraw/zinc/61/04/17/749610417.db2.gz ZBPQNTQEMQVRPX-HNNXBMFYSA-N 1 2 329.404 0.954 20 30 ECEDLO C=CCOCC(=O)N(C)CCN(C)c1ncnc2c1C[N@H+](C)CC2 ZINC001105346514 749667971 /nfs/dbraw/zinc/66/79/71/749667971.db2.gz BXYMNLNTNBTNAQ-UHFFFAOYSA-N 1 2 333.436 0.562 20 30 ECEDLO C=CCOCC(=O)N(C)CCN(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC001105346514 749667973 /nfs/dbraw/zinc/66/79/73/749667973.db2.gz BXYMNLNTNBTNAQ-UHFFFAOYSA-N 1 2 333.436 0.562 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CN(C(=O)[C@H](C)C#N)CC[C@@H]2C1 ZINC000986464797 749933167 /nfs/dbraw/zinc/93/31/67/749933167.db2.gz DBDKALJJVNJFNP-BNOWGMLFSA-N 1 2 329.404 0.727 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3cnn(C)c3)CC2)C1=O ZINC000980685263 749967505 /nfs/dbraw/zinc/96/75/05/749967505.db2.gz SWBMVYHPZAAMBY-OAHLLOKOSA-N 1 2 331.420 0.355 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3cnn(C)c3)CC2)C1=O ZINC000980685263 749967507 /nfs/dbraw/zinc/96/75/07/749967507.db2.gz SWBMVYHPZAAMBY-OAHLLOKOSA-N 1 2 331.420 0.355 20 30 ECEDLO 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/nfs/dbraw/zinc/05/11/75/754051175.db2.gz PVXWQZAAYYEPIM-UHFFFAOYSA-N 1 2 344.415 0.330 20 30 ECEDLO C#CCOc1ncccc1C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000989508667 754051182 /nfs/dbraw/zinc/05/11/82/754051182.db2.gz PVXWQZAAYYEPIM-UHFFFAOYSA-N 1 2 344.415 0.330 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)nn1 ZINC001008793382 754124610 /nfs/dbraw/zinc/12/46/10/754124610.db2.gz IXKZYXXNWLEITQ-CQSZACIVSA-N 1 2 329.408 0.592 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)nn1 ZINC001008793382 754124613 /nfs/dbraw/zinc/12/46/13/754124613.db2.gz IXKZYXXNWLEITQ-CQSZACIVSA-N 1 2 329.408 0.592 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+]([C@H](C)C(=O)NC3CC3)C2)nn1 ZINC001008800174 754131424 /nfs/dbraw/zinc/13/14/24/754131424.db2.gz OIPMYBIWRDHQGB-OCCSQVGLSA-N 1 2 346.435 0.325 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@H](C)C(=O)NC3CC3)C2)nn1 ZINC001008800174 754131429 /nfs/dbraw/zinc/13/14/29/754131429.db2.gz OIPMYBIWRDHQGB-OCCSQVGLSA-N 1 2 346.435 0.325 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)c1 ZINC000982942096 754254172 /nfs/dbraw/zinc/25/41/72/754254172.db2.gz QROJUMXVLQRGHM-HNNXBMFYSA-N 1 2 337.383 0.538 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001060001720 754554987 /nfs/dbraw/zinc/55/49/87/754554987.db2.gz FDKFTKWDNOBGES-JKSUJKDBSA-N 1 2 346.431 0.666 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccn(C)c2)[C@H](OC)C1 ZINC001212117259 754711806 /nfs/dbraw/zinc/71/18/06/754711806.db2.gz PSHLGYNHSSWPPO-NWANDNLSSA-N 1 2 334.420 0.145 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccn(C)c2)[C@H](OC)C1 ZINC001212117259 754711808 /nfs/dbraw/zinc/71/18/08/754711808.db2.gz PSHLGYNHSSWPPO-NWANDNLSSA-N 1 2 334.420 0.145 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3cnsn3)C2)[nH]1 ZINC001051554972 762329903 /nfs/dbraw/zinc/32/99/03/762329903.db2.gz KZRLGDANWQHORV-GFCCVEGCSA-N 1 2 332.389 0.369 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC001009575533 755012863 /nfs/dbraw/zinc/01/28/63/755012863.db2.gz DDYYHGRMAAEMON-KBPBESRZSA-N 1 2 329.828 0.567 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC001009575533 755012866 /nfs/dbraw/zinc/01/28/66/755012866.db2.gz DDYYHGRMAAEMON-KBPBESRZSA-N 1 2 329.828 0.567 20 30 ECEDLO Cc1nonc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC001075698586 755023118 /nfs/dbraw/zinc/02/31/18/755023118.db2.gz CDFJAVMDDQCZQH-XHDPSFHLSA-N 1 2 326.360 0.924 20 30 ECEDLO Cc1nonc1C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC001075698586 755023121 /nfs/dbraw/zinc/02/31/21/755023121.db2.gz CDFJAVMDDQCZQH-XHDPSFHLSA-N 1 2 326.360 0.924 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@@H+]([C@@H](C)c3nnnn3C)C2)c1 ZINC001028792916 755141482 /nfs/dbraw/zinc/14/14/82/755141482.db2.gz PDLATWYLEZGIBR-JSGCOSHPSA-N 1 2 339.403 0.399 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@H+]([C@@H](C)c3nnnn3C)C2)c1 ZINC001028792916 755141488 /nfs/dbraw/zinc/14/14/88/755141488.db2.gz PDLATWYLEZGIBR-JSGCOSHPSA-N 1 2 339.403 0.399 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CC[N@@H+](Cc3cn(CC)nn3)C2)c1 ZINC001028793481 755143074 /nfs/dbraw/zinc/14/30/74/755143074.db2.gz XRENNLMMEPTVRL-OAHLLOKOSA-N 1 2 338.415 0.926 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CC[N@H+](Cc3cn(CC)nn3)C2)c1 ZINC001028793481 755143075 /nfs/dbraw/zinc/14/30/75/755143075.db2.gz XRENNLMMEPTVRL-OAHLLOKOSA-N 1 2 338.415 0.926 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3cnn(C)n3)C2)nn1 ZINC001028856568 755320669 /nfs/dbraw/zinc/32/06/69/755320669.db2.gz KFEAMYCIQPHNDC-ZDUSSCGKSA-N 1 2 344.423 0.235 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3cnn(C)n3)C2)nn1 ZINC001028856568 755320672 /nfs/dbraw/zinc/32/06/72/755320672.db2.gz KFEAMYCIQPHNDC-ZDUSSCGKSA-N 1 2 344.423 0.235 20 30 ECEDLO C[C@H]1C[C@H](CNC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cn1cc[nH+]c1 ZINC001010206675 755811506 /nfs/dbraw/zinc/81/15/06/755811506.db2.gz NEFQIIBRZYNXKT-QWHCGFSZSA-N 1 2 340.387 0.750 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@](C)(O)C3CC3)C2)nn1 ZINC001098659721 755847515 /nfs/dbraw/zinc/84/75/15/755847515.db2.gz RZCSNINGGTYJOC-RDJZCZTQSA-N 1 2 331.420 0.325 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3COCCO3)C2)cc1F ZINC001010251039 755884349 /nfs/dbraw/zinc/88/43/49/755884349.db2.gz GRILYWDENXRYFJ-HOCLYGCPSA-N 1 2 333.363 0.803 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3COCCO3)C2)cc1F ZINC001010251039 755884355 /nfs/dbraw/zinc/88/43/55/755884355.db2.gz GRILYWDENXRYFJ-HOCLYGCPSA-N 1 2 333.363 0.803 20 30 ECEDLO C[C@@H]1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001010326571 756002240 /nfs/dbraw/zinc/00/22/40/756002240.db2.gz BITSHTUFKYZEQI-YPMHNXCESA-N 1 2 340.387 0.819 20 30 ECEDLO N#Cc1nccc(NC[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)n1 ZINC001060093808 756012950 /nfs/dbraw/zinc/01/29/50/756012950.db2.gz PDNVWFMYWNMJNU-LBPRGKRZSA-N 1 2 325.376 0.386 20 30 ECEDLO C[C@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001060095028 756037802 /nfs/dbraw/zinc/03/78/02/756037802.db2.gz SCFGRYJFJBMKPN-ZIAGYGMSSA-N 1 2 331.420 0.867 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)[C@H](O)C2)C1 ZINC000991648285 762438876 /nfs/dbraw/zinc/43/88/76/762438876.db2.gz RNUJJZDKTLTTRV-UKRRQHHQSA-N 1 2 346.431 0.695 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3nccnc3N)C2)s1 ZINC001010389524 756075109 /nfs/dbraw/zinc/07/51/09/756075109.db2.gz NLOCGUIUPZUUEW-SNVBAGLBSA-N 1 2 328.401 0.996 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3nccnc3N)C2)s1 ZINC001010389524 756075115 /nfs/dbraw/zinc/07/51/15/756075115.db2.gz NLOCGUIUPZUUEW-SNVBAGLBSA-N 1 2 328.401 0.996 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(C#N)c1 ZINC001076216853 756219630 /nfs/dbraw/zinc/21/96/30/756219630.db2.gz RHSGWJABHXNQRM-JTQLQIEISA-N 1 2 328.376 0.785 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cn(CC)nn3)C[C@H]21 ZINC001076263738 756300798 /nfs/dbraw/zinc/30/07/98/756300798.db2.gz SOTUEWRHIJHDIF-SVGFKBNWSA-N 1 2 345.447 0.922 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cn(CC)nn3)C[C@H]21 ZINC001076263738 756300803 /nfs/dbraw/zinc/30/08/03/756300803.db2.gz SOTUEWRHIJHDIF-SVGFKBNWSA-N 1 2 345.447 0.922 20 30 ECEDLO COc1ncc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)c(C)n1 ZINC001010644850 756344514 /nfs/dbraw/zinc/34/45/14/756344514.db2.gz QPVHAPWRIIUGSL-AWEZNQCLSA-N 1 2 340.387 0.998 20 30 ECEDLO COc1ncc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)c(C)n1 ZINC001010644850 756344518 /nfs/dbraw/zinc/34/45/18/756344518.db2.gz QPVHAPWRIIUGSL-AWEZNQCLSA-N 1 2 340.387 0.998 20 30 ECEDLO O=C(C#CC1CC1)N1CC2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001010650745 756351683 /nfs/dbraw/zinc/35/16/83/756351683.db2.gz BPYWWIMRFYNKRI-UHFFFAOYSA-N 1 2 326.400 0.817 20 30 ECEDLO COc1cncc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001010659709 756362024 /nfs/dbraw/zinc/36/20/24/756362024.db2.gz WIROLQYTWMKADV-LBPRGKRZSA-N 1 2 326.360 0.689 20 30 ECEDLO COc1cncc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001010659709 756362027 /nfs/dbraw/zinc/36/20/27/756362027.db2.gz WIROLQYTWMKADV-LBPRGKRZSA-N 1 2 326.360 0.689 20 30 ECEDLO CN1CCOC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001010694018 756407525 /nfs/dbraw/zinc/40/75/25/756407525.db2.gz ODBMWDRMXXPPAT-IRXDYDNUSA-N 1 2 328.416 0.579 20 30 ECEDLO CN1CCOC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001010694018 756407529 /nfs/dbraw/zinc/40/75/29/756407529.db2.gz ODBMWDRMXXPPAT-IRXDYDNUSA-N 1 2 328.416 0.579 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccn(CC(F)(F)F)n2)[C@@H](O)C1 ZINC001083547599 756463998 /nfs/dbraw/zinc/46/39/98/756463998.db2.gz SVEIWBNVOZSQOS-NEPJUHHUSA-N 1 2 330.310 0.244 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC(F)(F)F)n2)[C@@H](O)C1 ZINC001083547599 756464001 /nfs/dbraw/zinc/46/40/01/756464001.db2.gz SVEIWBNVOZSQOS-NEPJUHHUSA-N 1 2 330.310 0.244 20 30 ECEDLO C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001076429911 756499191 /nfs/dbraw/zinc/49/91/91/756499191.db2.gz MUASWTXJATXBMM-ZFWWWQNUSA-N 1 2 328.416 0.870 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3nnc[nH]3)[C@@H]2C1 ZINC001076443658 756504171 /nfs/dbraw/zinc/50/41/71/756504171.db2.gz UEURSIQZHUCVHZ-WDEREUQCSA-N 1 2 340.225 0.789 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3nnc[nH]3)[C@@H]2C1 ZINC001076443658 756504173 /nfs/dbraw/zinc/50/41/73/756504173.db2.gz UEURSIQZHUCVHZ-WDEREUQCSA-N 1 2 340.225 0.789 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001010829559 756577380 /nfs/dbraw/zinc/57/73/80/756577380.db2.gz HMCDDNTYKMXLBM-CYBMUJFWSA-N 1 2 329.404 0.953 20 30 ECEDLO C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001076507863 756579771 /nfs/dbraw/zinc/57/97/71/756579771.db2.gz YICQCZMDPJFWMD-BFHYXJOUSA-N 1 2 332.404 0.564 20 30 ECEDLO C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001076507863 756579774 /nfs/dbraw/zinc/57/97/74/756579774.db2.gz YICQCZMDPJFWMD-BFHYXJOUSA-N 1 2 332.404 0.564 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001076512350 756608221 /nfs/dbraw/zinc/60/82/21/756608221.db2.gz VRUURMJLKMUVMY-GJZGRUSLSA-N 1 2 334.420 0.713 20 30 ECEDLO Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)CCCn2cc[nH+]c2)n1 ZINC001105894887 762495929 /nfs/dbraw/zinc/49/59/29/762495929.db2.gz WZRBJGPBFBEVDS-CQSZACIVSA-N 1 2 343.391 0.223 20 30 ECEDLO O=C(C#CC1CC1)N1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001011110821 756940525 /nfs/dbraw/zinc/94/05/25/756940525.db2.gz QPKKPIZHPNWBSU-HNNXBMFYSA-N 1 2 326.400 0.530 20 30 ECEDLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(C(=O)C#CC2CC2)CC1 ZINC001011111140 756941176 /nfs/dbraw/zinc/94/11/76/756941176.db2.gz BIROQLFHZUJQBP-QGZVFWFLSA-N 1 2 347.459 0.572 20 30 ECEDLO CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(C(=O)C#CC2CC2)CC1 ZINC001011111140 756941177 /nfs/dbraw/zinc/94/11/77/756941177.db2.gz BIROQLFHZUJQBP-QGZVFWFLSA-N 1 2 347.459 0.572 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)C[C@H](C)OC)nn2)C1 ZINC001107142929 757013331 /nfs/dbraw/zinc/01/33/31/757013331.db2.gz WJDLVIGBRWOBHA-ZDUSSCGKSA-N 1 2 337.424 0.379 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H](CC)OC)nn2)C1 ZINC001107144015 757023087 /nfs/dbraw/zinc/02/30/87/757023087.db2.gz APHJYBQHJOOFLB-OAHLLOKOSA-N 1 2 337.424 0.379 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3C)C[C@@H]2C1 ZINC001048826891 757122840 /nfs/dbraw/zinc/12/28/40/757122840.db2.gz NAFFJXNEEFNTAH-QXSJWSMHSA-N 1 2 345.447 0.687 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3C)C[C@@H]2C1 ZINC001048826891 757122846 /nfs/dbraw/zinc/12/28/46/757122846.db2.gz NAFFJXNEEFNTAH-QXSJWSMHSA-N 1 2 345.447 0.687 20 30 ECEDLO CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1O ZINC001048828178 757125201 /nfs/dbraw/zinc/12/52/01/757125201.db2.gz HTWTZAGDDRZVSY-HOTGVXAUSA-N 1 2 344.415 0.107 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)cc1C#N ZINC001076791839 757131289 /nfs/dbraw/zinc/13/12/89/757131289.db2.gz JNSVEYKGXUFFBK-FVQBIDKESA-N 1 2 345.399 0.265 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)cc1C#N ZINC001076791839 757131293 /nfs/dbraw/zinc/13/12/93/757131293.db2.gz JNSVEYKGXUFFBK-FVQBIDKESA-N 1 2 345.399 0.265 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O)[C@H]1CCOC1 ZINC001076792689 757139474 /nfs/dbraw/zinc/13/94/74/757139474.db2.gz XZKCPBMXOBNIFG-USXIJHARSA-N 1 2 348.830 0.889 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O)[C@H]1CCOC1 ZINC001076792689 757139475 /nfs/dbraw/zinc/13/94/75/757139475.db2.gz XZKCPBMXOBNIFG-USXIJHARSA-N 1 2 348.830 0.889 20 30 ECEDLO Cn1cc(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)cn1 ZINC001076790696 757159205 /nfs/dbraw/zinc/15/92/05/757159205.db2.gz MMLVONXEDDLEJL-HUUCEWRRSA-N 1 2 345.428 0.257 20 30 ECEDLO Cn1cc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)cn1 ZINC001076790696 757159209 /nfs/dbraw/zinc/15/92/09/757159209.db2.gz MMLVONXEDDLEJL-HUUCEWRRSA-N 1 2 345.428 0.257 20 30 ECEDLO Cn1cc(CC(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)cn1 ZINC001076790868 757160101 /nfs/dbraw/zinc/16/01/01/757160101.db2.gz VNFSRVZGJWTXLQ-QZTJIDSGSA-N 1 2 338.411 0.176 20 30 ECEDLO Cn1cc(CC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)cn1 ZINC001076790868 757160106 /nfs/dbraw/zinc/16/01/06/757160106.db2.gz VNFSRVZGJWTXLQ-QZTJIDSGSA-N 1 2 338.411 0.176 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)CC(C)(C)O)nn2)C1 ZINC001107165542 757179262 /nfs/dbraw/zinc/17/92/62/757179262.db2.gz WQRJWKUYIHXDIL-UHFFFAOYSA-N 1 2 337.424 0.115 20 30 ECEDLO CCOCC[NH+]1CC(n2cc(CNC(=O)c3ccc(C#N)[nH]3)nn2)C1 ZINC001107160776 757183822 /nfs/dbraw/zinc/18/38/22/757183822.db2.gz JBZKREZAIFNJDN-UHFFFAOYSA-N 1 2 343.391 0.301 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)Cc3ccc(C)o3)nn2)C1 ZINC001107160951 757185154 /nfs/dbraw/zinc/18/51/54/757185154.db2.gz QRLQSLBZWSWUSV-UHFFFAOYSA-N 1 2 327.388 0.918 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001011205727 757186571 /nfs/dbraw/zinc/18/65/71/757186571.db2.gz XRNOLVYHKVRSII-CVEARBPZSA-N 1 2 346.431 0.925 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCc1cn(C2C[NH+](CC=C(C)C)C2)nn1 ZINC001107169800 757207999 /nfs/dbraw/zinc/20/79/99/757207999.db2.gz UGIWBRAMPTZJMA-AWEZNQCLSA-N 1 2 331.420 0.756 20 30 ECEDLO CC(C)OCC[NH+]1CC(n2cc(CNC(=O)C#CC3CC3)nn2)C1 ZINC001107171301 757218634 /nfs/dbraw/zinc/21/86/34/757218634.db2.gz RJXUTISJUDGJRJ-UHFFFAOYSA-N 1 2 331.420 0.589 20 30 ECEDLO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001048865828 757226177 /nfs/dbraw/zinc/22/61/77/757226177.db2.gz CMMUPSCSTCQFLN-JYJNAYRXSA-N 1 2 346.431 0.668 20 30 ECEDLO C=C(C)[C@H](CC(=O)NCc1cn(C2C[NH+](CCO)C2)nn1)OCC ZINC001107176749 757256060 /nfs/dbraw/zinc/25/60/60/757256060.db2.gz LLWRCIXBZWHTCM-HNNXBMFYSA-N 1 2 337.424 0.115 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)Cc3ccn(CC)n3)nn2)C1 ZINC001107174451 757287922 /nfs/dbraw/zinc/28/79/22/757287922.db2.gz RGUKPHRASDMTTH-UHFFFAOYSA-N 1 2 341.419 0.233 20 30 ECEDLO Cc1ncoc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076848298 757337652 /nfs/dbraw/zinc/33/76/52/757337652.db2.gz FEVKVVYAXAMNMY-HUUCEWRRSA-N 1 2 326.356 0.830 20 30 ECEDLO Cc1ncoc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076848298 757337662 /nfs/dbraw/zinc/33/76/62/757337662.db2.gz FEVKVVYAXAMNMY-HUUCEWRRSA-N 1 2 326.356 0.830 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)c1cccc(=O)[nH]1 ZINC001076842294 757351118 /nfs/dbraw/zinc/35/11/18/757351118.db2.gz MZXBOFPFXRTKBN-IAGOWNOFSA-N 1 2 337.379 0.614 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)c1cccc(=O)[nH]1 ZINC001076842294 757351126 /nfs/dbraw/zinc/35/11/26/757351126.db2.gz MZXBOFPFXRTKBN-IAGOWNOFSA-N 1 2 337.379 0.614 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)Cc3ccc(=O)[nH]c3)nn2)C1 ZINC001107187395 757390910 /nfs/dbraw/zinc/39/09/10/757390910.db2.gz BKOSJFGPMTXTJU-UHFFFAOYSA-N 1 2 328.376 0.280 20 30 ECEDLO Cc1cnc([C@@H](C)[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cn1 ZINC001076898424 757516502 /nfs/dbraw/zinc/51/65/02/757516502.db2.gz INZSECLHMJFCFZ-HFBAOOFYSA-N 1 2 340.387 0.521 20 30 ECEDLO Cc1cnc([C@@H](C)[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cn1 ZINC001076898424 757516511 /nfs/dbraw/zinc/51/65/11/757516511.db2.gz INZSECLHMJFCFZ-HFBAOOFYSA-N 1 2 340.387 0.521 20 30 ECEDLO CCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001076907400 757562938 /nfs/dbraw/zinc/56/29/38/757562938.db2.gz NGEZPVLNYJNKJX-ZIAGYGMSSA-N 1 2 343.387 0.720 20 30 ECEDLO CCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001076907400 757562944 /nfs/dbraw/zinc/56/29/44/757562944.db2.gz NGEZPVLNYJNKJX-ZIAGYGMSSA-N 1 2 343.387 0.720 20 30 ECEDLO Cc1nsc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001076907651 757565331 /nfs/dbraw/zinc/56/53/31/757565331.db2.gz XIHJPLWQLWCJEJ-HUUCEWRRSA-N 1 2 345.428 0.935 20 30 ECEDLO Cc1nsc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001076907651 757565341 /nfs/dbraw/zinc/56/53/41/757565341.db2.gz XIHJPLWQLWCJEJ-HUUCEWRRSA-N 1 2 345.428 0.935 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)Cc3cnoc3)nn2)C1 ZINC001107198890 757583944 /nfs/dbraw/zinc/58/39/44/757583944.db2.gz WNKDDYHEMCESMA-UHFFFAOYSA-N 1 2 346.391 0.184 20 30 ECEDLO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ncccc3O)C2)c1 ZINC001076916735 757584421 /nfs/dbraw/zinc/58/44/21/757584421.db2.gz ZDJDHRHJIMURLN-GDBMZVCRSA-N 1 2 338.367 0.634 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ncccc3O)C2)c1 ZINC001076916735 757584426 /nfs/dbraw/zinc/58/44/26/757584426.db2.gz ZDJDHRHJIMURLN-GDBMZVCRSA-N 1 2 338.367 0.634 20 30 ECEDLO Cn1nnnc1C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C#CC2CC2)C1 ZINC001021585903 757642954 /nfs/dbraw/zinc/64/29/54/757642954.db2.gz XLMLEUVNRQIPPX-CABCVRRESA-N 1 2 328.420 0.436 20 30 ECEDLO Cn1nnnc1C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C#CC2CC2)C1 ZINC001021585903 757642960 /nfs/dbraw/zinc/64/29/60/757642960.db2.gz XLMLEUVNRQIPPX-CABCVRRESA-N 1 2 328.420 0.436 20 30 ECEDLO C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1(C)C ZINC000996425898 757646682 /nfs/dbraw/zinc/64/66/82/757646682.db2.gz NLAXENJQOZMKKA-CYBMUJFWSA-N 1 2 344.419 0.474 20 30 ECEDLO C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001049023641 757724946 /nfs/dbraw/zinc/72/49/46/757724946.db2.gz HUOVDFJRVRMTAD-VDERGJSUSA-N 1 2 346.431 0.900 20 30 ECEDLO C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001049023641 757724952 /nfs/dbraw/zinc/72/49/52/757724952.db2.gz HUOVDFJRVRMTAD-VDERGJSUSA-N 1 2 346.431 0.900 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccsc3C)C2)C1=O ZINC001076975009 757819862 /nfs/dbraw/zinc/81/98/62/757819862.db2.gz RNYSDRWPPWJPJO-QLFBSQMISA-N 1 2 349.456 0.618 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccsc3C)C2)C1=O ZINC001076975009 757819869 /nfs/dbraw/zinc/81/98/69/757819869.db2.gz RNYSDRWPPWJPJO-QLFBSQMISA-N 1 2 349.456 0.618 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C(=O)N3CCC(C)CC3)nn2)C1 ZINC001107217673 757823995 /nfs/dbraw/zinc/82/39/95/757823995.db2.gz VESHLQDXIMQVET-UHFFFAOYSA-N 1 2 346.435 0.196 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001077016852 757943579 /nfs/dbraw/zinc/94/35/79/757943579.db2.gz DXYWJZJOPFQHEV-CFVMTHIKSA-N 1 2 334.420 0.944 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001077016852 757943584 /nfs/dbraw/zinc/94/35/84/757943584.db2.gz DXYWJZJOPFQHEV-CFVMTHIKSA-N 1 2 334.420 0.944 20 30 ECEDLO N#Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@]34C[C@H]3COC4)C2)ccc1F ZINC001077030333 757993581 /nfs/dbraw/zinc/99/35/81/757993581.db2.gz DPQVJNBMHPZXRE-ZDRJDWQYSA-N 1 2 345.374 0.395 20 30 ECEDLO N#Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@]34C[C@H]3COC4)C2)ccc1F ZINC001077030333 757993591 /nfs/dbraw/zinc/99/35/91/757993591.db2.gz DPQVJNBMHPZXRE-ZDRJDWQYSA-N 1 2 345.374 0.395 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)C3CCOCC3)nn2)C1 ZINC001107242032 757999727 /nfs/dbraw/zinc/99/97/27/757999727.db2.gz NGSWRTBWJZGQCN-ZDUSSCGKSA-N 1 2 333.436 1.000 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)Cc3ccc(C)nc3)nn2)C1 ZINC001107235746 758023148 /nfs/dbraw/zinc/02/31/48/758023148.db2.gz LKAPRJNNYKQTJM-UHFFFAOYSA-N 1 2 338.415 0.720 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCc3cnn(C)c3)nn2)C1 ZINC001107238910 758034824 /nfs/dbraw/zinc/03/48/24/758034824.db2.gz WKOSOIYBHATOTQ-UHFFFAOYSA-N 1 2 341.419 0.141 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCCCC(=O)NC)nn2)C1 ZINC001107241253 758042569 /nfs/dbraw/zinc/04/25/69/758042569.db2.gz PRVUSOKFLUXZFE-UHFFFAOYSA-N 1 2 346.435 0.081 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001077106499 758202508 /nfs/dbraw/zinc/20/25/08/758202508.db2.gz NUOFWOLTYWTLBT-GJZGRUSLSA-N 1 2 346.431 0.496 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001011668354 758254970 /nfs/dbraw/zinc/25/49/70/758254970.db2.gz YZSRZXUPTXKPQW-BXUZGUMPSA-N 1 2 326.360 0.502 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001011668355 758255017 /nfs/dbraw/zinc/25/50/17/758255017.db2.gz YZSRZXUPTXKPQW-FZMZJTMJSA-N 1 2 326.360 0.502 20 30 ECEDLO N#Cc1nccc(NC/C=C/CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)n1 ZINC001107394670 758451092 /nfs/dbraw/zinc/45/10/92/758451092.db2.gz NXKYINNXHUPZKQ-ZIYVKSGCSA-N 1 2 337.387 0.314 20 30 ECEDLO N#Cc1cnccc1NC/C=C/CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001107393580 758451744 /nfs/dbraw/zinc/45/17/44/758451744.db2.gz DQSRAENSGYFZBA-VSZDKKFSSA-N 1 2 336.399 0.919 20 30 ECEDLO C#CCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)Cc3[nH]cc[nH+]3)C2)CCC1 ZINC001049315982 758505609 /nfs/dbraw/zinc/50/56/09/758505609.db2.gz FDRQGTRHSIDUKJ-KBPBESRZSA-N 1 2 344.415 0.176 20 30 ECEDLO C=CCC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001049316711 758506694 /nfs/dbraw/zinc/50/66/94/758506694.db2.gz QKMKELJBBCKKID-STQMWFEESA-N 1 2 334.420 0.585 20 30 ECEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC)C[C@H]2O)cc1 ZINC001077246224 758597793 /nfs/dbraw/zinc/59/77/93/758597793.db2.gz UHTKIGBHIOAESR-DAXOMENPSA-N 1 2 347.415 0.161 20 30 ECEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@H]2O)cc1 ZINC001077246224 758597797 /nfs/dbraw/zinc/59/77/97/758597797.db2.gz UHTKIGBHIOAESR-DAXOMENPSA-N 1 2 347.415 0.161 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(-c3ccccn3)n2)C1 ZINC001077300638 758745858 /nfs/dbraw/zinc/74/58/58/758745858.db2.gz IGOKOSVRHHEQHF-UKRRQHHQSA-N 1 2 326.356 0.535 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2coc(-c3ccccn3)n2)C1 ZINC001077300638 758745862 /nfs/dbraw/zinc/74/58/62/758745862.db2.gz IGOKOSVRHHEQHF-UKRRQHHQSA-N 1 2 326.356 0.535 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)[C@@H]3C2)c1 ZINC001022523144 758834210 /nfs/dbraw/zinc/83/42/10/758834210.db2.gz VRHPLRRVSBQJKJ-GOEBONIOSA-N 1 2 349.394 0.702 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3cc(C)ccc3O2)C1 ZINC001077388156 758961190 /nfs/dbraw/zinc/96/11/90/758961190.db2.gz PIYMNJKAULHZJK-JFIYKMOQSA-N 1 2 328.412 0.873 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3cc(C)ccc3O2)C1 ZINC001077388156 758961194 /nfs/dbraw/zinc/96/11/94/758961194.db2.gz PIYMNJKAULHZJK-JFIYKMOQSA-N 1 2 328.412 0.873 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnn(C)n3)C2)cc1 ZINC001022822165 759143717 /nfs/dbraw/zinc/14/37/17/759143717.db2.gz PPWNSNQQBVAPBL-OKILXGFUSA-N 1 2 340.387 0.273 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)n([C@@H](C)C3CC3)n2)[C@@H](O)C1 ZINC001083590948 759144732 /nfs/dbraw/zinc/14/47/32/759144732.db2.gz DDDQOCNNJHMPGL-XKQJLSEDSA-N 1 2 330.432 0.961 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)n([C@@H](C)C3CC3)n2)[C@@H](O)C1 ZINC001083590948 759144736 /nfs/dbraw/zinc/14/47/36/759144736.db2.gz DDDQOCNNJHMPGL-XKQJLSEDSA-N 1 2 330.432 0.961 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001012131871 759437786 /nfs/dbraw/zinc/43/77/86/759437786.db2.gz VLANMZCJHANKLE-GDBMZVCRSA-N 1 2 348.447 0.460 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001012131871 759437793 /nfs/dbraw/zinc/43/77/93/759437793.db2.gz VLANMZCJHANKLE-GDBMZVCRSA-N 1 2 348.447 0.460 20 30 ECEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cn2cnnn2)c1 ZINC001017338135 767861202 /nfs/dbraw/zinc/86/12/02/767861202.db2.gz YTPUHFMQJNUJQY-IYBDPMFKSA-N 1 2 337.387 0.420 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cn2cnnn2)c1 ZINC001017338135 767861209 /nfs/dbraw/zinc/86/12/09/767861209.db2.gz YTPUHFMQJNUJQY-IYBDPMFKSA-N 1 2 337.387 0.420 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001012444567 760012505 /nfs/dbraw/zinc/01/25/05/760012505.db2.gz CQUBWHSJIIKTOE-DGCLKSJQSA-N 1 2 340.387 0.582 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3ccc(F)cc3O2)[C@@H](O)C1 ZINC001083641402 760184495 /nfs/dbraw/zinc/18/44/95/760184495.db2.gz LCLVBKKDLVBWCZ-PMPSAXMXSA-N 1 2 332.375 0.704 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3ccc(F)cc3O2)[C@@H](O)C1 ZINC001083641402 760184502 /nfs/dbraw/zinc/18/45/02/760184502.db2.gz LCLVBKKDLVBWCZ-PMPSAXMXSA-N 1 2 332.375 0.704 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001012539243 760231115 /nfs/dbraw/zinc/23/11/15/760231115.db2.gz OSALXRXEAOHXQM-RISCZKNCSA-N 1 2 340.387 0.961 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCn3cccn3)nn2)C1 ZINC001107129152 760519417 /nfs/dbraw/zinc/51/94/17/760519417.db2.gz JDZVGRRPHOFUIL-UHFFFAOYSA-N 1 2 327.392 0.061 20 30 ECEDLO CC(C)C#CC(=O)N1CC[C@H]([C@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001050672609 760652373 /nfs/dbraw/zinc/65/23/73/760652373.db2.gz KMMOABQAZRDZBK-GJZGRUSLSA-N 1 2 330.432 0.975 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CNc1cncc(C#N)n1 ZINC001054438600 767976010 /nfs/dbraw/zinc/97/60/10/767976010.db2.gz KZIFUAGOHQBMKJ-VXGBXAGGSA-N 1 2 325.376 0.820 20 30 ECEDLO N#CCSCC(=O)NCC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001060233434 760755004 /nfs/dbraw/zinc/75/50/04/760755004.db2.gz VEFLIVUZNGHXLD-LBPRGKRZSA-N 1 2 335.433 0.564 20 30 ECEDLO C=CCO[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001060235189 760806445 /nfs/dbraw/zinc/80/64/45/760806445.db2.gz KEGWGZJZNCPXNZ-UONOGXRCSA-N 1 2 334.420 0.898 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnc2n1CCOC2 ZINC001050963309 761231053 /nfs/dbraw/zinc/23/10/53/761231053.db2.gz DKYNCJSXGWAOEU-CQSZACIVSA-N 1 2 334.420 0.810 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cnc2n1CCOC2 ZINC001050963309 761231058 /nfs/dbraw/zinc/23/10/58/761231058.db2.gz DKYNCJSXGWAOEU-CQSZACIVSA-N 1 2 334.420 0.810 20 30 ECEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C(=O)NCC(F)F)CC2)C1 ZINC001105713917 761246240 /nfs/dbraw/zinc/24/62/40/761246240.db2.gz BVHIJCGAGMKWGF-UHFFFAOYSA-N 1 2 331.363 0.246 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn2c(n1)C[C@@H](OC)CC2 ZINC001050972970 761254331 /nfs/dbraw/zinc/25/43/31/761254331.db2.gz ZKXXBFNJUPDEKU-GJZGRUSLSA-N 1 2 348.447 0.851 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn2c(n1)C[C@@H](OC)CC2 ZINC001050972970 761254338 /nfs/dbraw/zinc/25/43/38/761254338.db2.gz ZKXXBFNJUPDEKU-GJZGRUSLSA-N 1 2 348.447 0.851 20 30 ECEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H](C)OCCOC)CC2)C1 ZINC001105726898 761360264 /nfs/dbraw/zinc/36/02/64/761360264.db2.gz WCVSRIRREYUQTH-CQSZACIVSA-N 1 2 326.437 0.916 20 30 ECEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)c3cnon3)CC2)C1 ZINC001105727823 761368683 /nfs/dbraw/zinc/36/86/83/761368683.db2.gz GDUHQSURERSQCI-UHFFFAOYSA-N 1 2 336.392 0.578 20 30 ECEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)c3ncccn3)CC2)C1 ZINC001105728177 761369640 /nfs/dbraw/zinc/36/96/40/761369640.db2.gz NGCSKHNNSKDPDL-UHFFFAOYSA-N 1 2 346.431 0.985 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1COCCN1CCCC ZINC001051043984 761382693 /nfs/dbraw/zinc/38/26/93/761382693.db2.gz NNPRUDSNDKBODP-IAGOWNOFSA-N 1 2 339.480 0.880 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1COCCN1CCCC ZINC001051043984 761382698 /nfs/dbraw/zinc/38/26/98/761382698.db2.gz NNPRUDSNDKBODP-IAGOWNOFSA-N 1 2 339.480 0.880 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2COCC[N@@H+]2C[C@@H]2CCOC2)c1 ZINC001051108037 761505188 /nfs/dbraw/zinc/50/51/88/761505188.db2.gz XPASMCSYCSIHOM-DOTOQJQBSA-N 1 2 329.400 0.530 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2COCC[N@H+]2C[C@@H]2CCOC2)c1 ZINC001051108037 761505197 /nfs/dbraw/zinc/50/51/97/761505197.db2.gz XPASMCSYCSIHOM-DOTOQJQBSA-N 1 2 329.400 0.530 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCN1c1ccc(C#N)nn1 ZINC001051177238 761621258 /nfs/dbraw/zinc/62/12/58/761621258.db2.gz RLUFSMSJFSWEOT-ZRJCITRHSA-N 1 2 337.387 0.958 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCN1c1ccc(C#N)nn1 ZINC001051177238 761621261 /nfs/dbraw/zinc/62/12/61/761621261.db2.gz RLUFSMSJFSWEOT-ZRJCITRHSA-N 1 2 337.387 0.958 20 30 ECEDLO CN1CCC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2c[nH]c(C#N)c2)C1=O ZINC001017489764 768054050 /nfs/dbraw/zinc/05/40/50/768054050.db2.gz CISNGJUDYVKPHK-XHSDSOJGSA-N 1 2 341.415 0.796 20 30 ECEDLO CN1CCC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2c[nH]c(C#N)c2)C1=O ZINC001017489764 768054052 /nfs/dbraw/zinc/05/40/52/768054052.db2.gz CISNGJUDYVKPHK-XHSDSOJGSA-N 1 2 341.415 0.796 20 30 ECEDLO CN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2c[nH]c(C#N)c2)C1=O ZINC001017490593 768054375 /nfs/dbraw/zinc/05/43/75/768054375.db2.gz HTIMSSNZNRCWBZ-QLFBSQMISA-N 1 2 327.388 0.406 20 30 ECEDLO CN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2c[nH]c(C#N)c2)C1=O ZINC001017490593 768054378 /nfs/dbraw/zinc/05/43/78/768054378.db2.gz HTIMSSNZNRCWBZ-QLFBSQMISA-N 1 2 327.388 0.406 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)C1 ZINC000991577813 761748753 /nfs/dbraw/zinc/74/87/53/761748753.db2.gz XQDSIYQUFAXFSP-KGLIPLIRSA-N 1 2 332.404 0.317 20 30 ECEDLO C=CCOCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001051312837 761867478 /nfs/dbraw/zinc/86/74/78/761867478.db2.gz YPNYVAHGSTWXCP-TZMCWYRMSA-N 1 2 334.420 0.816 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001051312577 761867673 /nfs/dbraw/zinc/86/76/73/761867673.db2.gz VNQHOZZGAYTIQH-ZFWWWQNUSA-N 1 2 346.431 0.654 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCO[C@@H](C[NH2+]Cc2nc(N(C)C)no2)C1 ZINC001051754806 762884187 /nfs/dbraw/zinc/88/41/87/762884187.db2.gz BJGOCSDRJJIYQS-LBPRGKRZSA-N 1 2 337.424 0.665 20 30 ECEDLO N#Cc1cnc(N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](O)C2)c(F)c1 ZINC001051790158 762971384 /nfs/dbraw/zinc/97/13/84/762971384.db2.gz TUTIHNOYAHSGSR-KBPBESRZSA-N 1 2 344.350 0.114 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001017549886 768106593 /nfs/dbraw/zinc/10/65/93/768106593.db2.gz ODIDNHMETJWTMV-MCIONIFRSA-N 1 2 327.388 0.071 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001017549886 768106594 /nfs/dbraw/zinc/10/65/94/768106594.db2.gz ODIDNHMETJWTMV-MCIONIFRSA-N 1 2 327.388 0.071 20 30 ECEDLO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001046953146 763451746 /nfs/dbraw/zinc/45/17/46/763451746.db2.gz AVPFNGXCXQYWGM-CHWSQXEVSA-N 1 2 348.415 0.518 20 30 ECEDLO C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001046953146 763451751 /nfs/dbraw/zinc/45/17/51/763451751.db2.gz AVPFNGXCXQYWGM-CHWSQXEVSA-N 1 2 348.415 0.518 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn(C)c3C)C2)CC1 ZINC001051981045 763508245 /nfs/dbraw/zinc/50/82/45/763508245.db2.gz MRRNDGDOWNUKBD-INIZCTEOSA-N 1 2 329.448 0.584 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(Cc3nccn3C)CC2)C1 ZINC001051997787 763548187 /nfs/dbraw/zinc/54/81/87/763548187.db2.gz IGZUXVXLPORWEE-HUUCEWRRSA-N 1 2 330.436 0.298 20 30 ECEDLO Cc1ncc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)cn1 ZINC001051997905 763548788 /nfs/dbraw/zinc/54/87/88/763548788.db2.gz KNIJWKGUBIMYAJ-RHSMWYFYSA-N 1 2 342.447 0.663 20 30 ECEDLO Cc1nonc1CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001051998130 763550309 /nfs/dbraw/zinc/55/03/09/763550309.db2.gz NNQGAOOVIPFKJM-TZMCWYRMSA-N 1 2 332.408 0.256 20 30 ECEDLO Cc1oncc1CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001051998604 763551122 /nfs/dbraw/zinc/55/11/22/763551122.db2.gz WGJCLFZMWZJOLM-BBRMVZONSA-N 1 2 331.420 0.861 20 30 ECEDLO Cc1oncc1C[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001051998604 763551131 /nfs/dbraw/zinc/55/11/31/763551131.db2.gz WGJCLFZMWZJOLM-BBRMVZONSA-N 1 2 331.420 0.861 20 30 ECEDLO Cc1nccnc1CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001051998714 763552786 /nfs/dbraw/zinc/55/27/86/763552786.db2.gz YWJOJDBJFAWXSG-HOCLYGCPSA-N 1 2 342.447 0.663 20 30 ECEDLO CN1C(=O)CC[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031917811 763564851 /nfs/dbraw/zinc/56/48/51/763564851.db2.gz KZEAZXMIUDZOEF-QGZVFWFLSA-N 1 2 343.402 0.846 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cn4c(n3)CCC4)C2)CC1 ZINC001052028570 763623973 /nfs/dbraw/zinc/62/39/73/763623973.db2.gz QVUWQDFDDVVMRU-HNNXBMFYSA-N 1 2 327.432 0.295 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(OC)ncn3)C2)CC1 ZINC001052028957 763625411 /nfs/dbraw/zinc/62/54/11/763625411.db2.gz VFWRAAKAVSQYSC-CQSZACIVSA-N 1 2 331.420 0.503 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccn(C(F)F)n3)C2)CC1 ZINC001052032375 763633841 /nfs/dbraw/zinc/63/38/41/763633841.db2.gz GKUWURFLQDBCFM-GFCCVEGCSA-N 1 2 338.362 0.634 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc4cc[nH]c4n3)C2)CC1 ZINC001052037736 763656284 /nfs/dbraw/zinc/65/62/84/763656284.db2.gz QIZBMHXRXCTEET-HNNXBMFYSA-N 1 2 338.415 0.919 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)C(C)(C)C(N)=O)C2)CC1 ZINC001052040694 763663746 /nfs/dbraw/zinc/66/37/46/763663746.db2.gz FIXBXSVHWKSRGI-CYBMUJFWSA-N 1 2 342.871 0.469 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCN(C)C(=O)C3)C2)CC1 ZINC001052045679 763683386 /nfs/dbraw/zinc/68/33/86/763683386.db2.gz WJKBAWCFBWLCLP-DLBZAZTESA-N 1 2 346.475 0.097 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001052045780 763684378 /nfs/dbraw/zinc/68/43/78/763684378.db2.gz ULVXKEPDVHXARJ-CHWSQXEVSA-N 1 2 335.433 0.351 20 30 ECEDLO CCN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001015025895 763694829 /nfs/dbraw/zinc/69/48/29/763694829.db2.gz SPZHHVNXPCHCDU-QZTJIDSGSA-N 1 2 342.443 0.969 20 30 ECEDLO CCN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001015025895 763694834 /nfs/dbraw/zinc/69/48/34/763694834.db2.gz SPZHHVNXPCHCDU-QZTJIDSGSA-N 1 2 342.443 0.969 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn4cccnc4n3)C2)CC1 ZINC001052048339 763695441 /nfs/dbraw/zinc/69/54/41/763695441.db2.gz QPWHFBIYUOLYDT-AWEZNQCLSA-N 1 2 339.403 0.085 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(OC)n(C)n3)C2)CC1 ZINC001052048919 763699240 /nfs/dbraw/zinc/69/92/40/763699240.db2.gz GOOMDAQCBPJBHF-AWEZNQCLSA-N 1 2 333.436 0.447 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccnc(OC)n3)C2)CC1 ZINC001052048958 763700259 /nfs/dbraw/zinc/70/02/59/763700259.db2.gz HMMLVAAWNJBCIW-CQSZACIVSA-N 1 2 331.420 0.503 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3cc(C)nn3C)C2)CC1 ZINC001052049442 763701173 /nfs/dbraw/zinc/70/11/73/763701173.db2.gz LWJHCXYQJMITFB-KRWDZBQOSA-N 1 2 343.475 0.513 20 30 ECEDLO Cn1nc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)cc1Cl ZINC001052049718 763703853 /nfs/dbraw/zinc/70/38/53/763703853.db2.gz OSHBWSRFJBPLEZ-GFCCVEGCSA-N 1 2 336.827 0.429 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(Cl)n(C)n3)C2)CC1 ZINC001052049743 763703979 /nfs/dbraw/zinc/70/39/79/763703979.db2.gz PJOZSXIJZAZOHR-ZDUSSCGKSA-N 1 2 335.839 0.539 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(Cl)n(C)n3)C2)CC1 ZINC001052049743 763703985 /nfs/dbraw/zinc/70/39/85/763703985.db2.gz PJOZSXIJZAZOHR-ZDUSSCGKSA-N 1 2 335.839 0.539 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(=O)c(OC)co3)C2)CC1 ZINC001052051561 763711476 /nfs/dbraw/zinc/71/14/76/763711476.db2.gz BGUJOVAKKQYMKO-AWEZNQCLSA-N 1 2 345.399 0.114 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cn(C(C)C)nn3)C2)nn1 ZINC001098757842 763732522 /nfs/dbraw/zinc/73/25/22/763732522.db2.gz SXOIWYUTPPMQDH-CQSZACIVSA-N 1 2 342.407 0.261 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)CC1 ZINC001052059516 763737226 /nfs/dbraw/zinc/73/72/26/763737226.db2.gz JQQPNJMBUWQOKA-KGLIPLIRSA-N 1 2 340.855 0.094 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H](N2CC[NH+]([C@H]3CCCNC3=O)CC2)C1 ZINC001052062705 763747055 /nfs/dbraw/zinc/74/70/55/763747055.db2.gz MZXMKQVVSDGKAN-CVEARBPZSA-N 1 2 348.491 0.696 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN([C@H]3CCCNC3=O)CC2)C1 ZINC001052062705 763747056 /nfs/dbraw/zinc/74/70/56/763747056.db2.gz MZXMKQVVSDGKAN-CVEARBPZSA-N 1 2 348.491 0.696 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@]3(C)CCOC3)C2)nn1 ZINC001098758230 763752126 /nfs/dbraw/zinc/75/21/26/763752126.db2.gz XKQZXYMWCJSNNM-RDJZCZTQSA-N 1 2 331.420 0.591 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3C(C)C)C2)CC1 ZINC001052068338 763761425 /nfs/dbraw/zinc/76/14/25/763761425.db2.gz GEIKLIPZGCSKLA-IRXDYDNUSA-N 1 2 346.475 0.238 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)c3c(C)nc[nH]c3=O)C2)CC1 ZINC001052069292 763764261 /nfs/dbraw/zinc/76/42/61/763764261.db2.gz WRROGBKCFHCERX-HNNXBMFYSA-N 1 2 343.431 0.346 20 30 ECEDLO Cc1cc(C2(C(=O)N3CC[C@H]([NH+]4CCN(CC#N)CC4)C3)CC2)on1 ZINC001052071585 763773962 /nfs/dbraw/zinc/77/39/62/763773962.db2.gz WMHHBBIWXUEAKG-HNNXBMFYSA-N 1 2 343.431 0.757 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([NH+]3CCN([C@H](C)C(N)=O)CC3)C2)C1 ZINC001052081409 763799003 /nfs/dbraw/zinc/79/90/03/763799003.db2.gz MFJMGEJTJQCNHJ-HUUCEWRRSA-N 1 2 334.464 0.435 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3Cc4ccncc4C3)CC2)C1 ZINC000941567530 763802101 /nfs/dbraw/zinc/80/21/01/763802101.db2.gz VXVBFONBFIRVLX-QGZVFWFLSA-N 1 2 338.455 0.648 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@@H]([NH+]3CCN(CCF)CC3)C2)c1 ZINC001052082941 763804772 /nfs/dbraw/zinc/80/47/72/763804772.db2.gz YHFQXVQKSFMIBU-QGZVFWFLSA-N 1 2 330.407 0.865 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cn3cc(Cl)cn3)C2)CC1 ZINC001052087228 763816804 /nfs/dbraw/zinc/81/68/04/763816804.db2.gz PQSBPDMUKXKYLQ-OAHLLOKOSA-N 1 2 335.839 0.388 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3noc4c3CCCC4)C2)CC1 ZINC001052086717 763817133 /nfs/dbraw/zinc/81/71/33/763817133.db2.gz GNCIABSRFCWITN-AWEZNQCLSA-N 1 2 343.431 0.909 20 30 ECEDLO CC(C)n1ccc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052094789 763841249 /nfs/dbraw/zinc/84/12/49/763841249.db2.gz YLUJXHQKOFPORX-HNNXBMFYSA-N 1 2 330.436 0.820 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)CCc3ncccn3)C2)CC1 ZINC001052099019 763856027 /nfs/dbraw/zinc/85/60/27/763856027.db2.gz FSPGZIZNGMOHNQ-KRWDZBQOSA-N 1 2 341.459 0.651 20 30 ECEDLO CCCn1cc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)c(C)n1 ZINC001052100216 763860233 /nfs/dbraw/zinc/86/02/33/763860233.db2.gz AACWKIBJQABDCE-INIZCTEOSA-N 1 2 344.463 0.957 20 30 ECEDLO Cn1cc(C(C)(C)C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)cn1 ZINC001052102403 763867158 /nfs/dbraw/zinc/86/71/58/763867158.db2.gz ZUVVRTFVYXDOEP-MRXNPFEDSA-N 1 2 344.463 0.440 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc(OC)nc3)C2)CC1 ZINC001052105786 763876976 /nfs/dbraw/zinc/87/69/76/763876976.db2.gz PEIUGJUCTDUQMS-OAHLLOKOSA-N 1 2 331.420 0.503 20 30 ECEDLO Cn1cc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)c(Cl)n1 ZINC001052106089 763878345 /nfs/dbraw/zinc/87/83/45/763878345.db2.gz BBCQSEPKKCJCSB-GFCCVEGCSA-N 1 2 336.827 0.429 20 30 ECEDLO C=CCN1CC[C@H](N2CC(NC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1=O ZINC001030544212 763894352 /nfs/dbraw/zinc/89/43/52/763894352.db2.gz FHMJHLMFKRFKOO-BBRMVZONSA-N 1 2 343.431 0.033 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3Cc4cccnc4C3)C2)CC1 ZINC001052112773 763907415 /nfs/dbraw/zinc/90/74/15/763907415.db2.gz DAIHLSKDHZTNEJ-ROUUACIJSA-N 1 2 338.455 0.648 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cncnc3C3CC3)C2)CC1 ZINC001052113234 763910840 /nfs/dbraw/zinc/91/08/40/763910840.db2.gz PXKIWNDBCAHCHW-HNNXBMFYSA-N 1 2 340.431 0.710 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ncc4n3CCCC4)C2)CC1 ZINC001052119166 763934463 /nfs/dbraw/zinc/93/44/63/763934463.db2.gz LMSLGSUAQKGSES-KRWDZBQOSA-N 1 2 341.459 0.685 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)CCc3cnn(C)c3)C2)CC1 ZINC001052120154 763938099 /nfs/dbraw/zinc/93/80/99/763938099.db2.gz ZQCJSRSQBVWJNV-SFHVURJKSA-N 1 2 343.475 0.595 20 30 ECEDLO COCc1nc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)cs1 ZINC001052123418 763948274 /nfs/dbraw/zinc/94/82/74/763948274.db2.gz HTOLRMHWZCLALI-ZDUSSCGKSA-N 1 2 349.460 0.645 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)c3cnn(C)c3)C2)CC1 ZINC001052123080 763948518 /nfs/dbraw/zinc/94/85/18/763948518.db2.gz BASYVVJCYSBCIV-NVXWUHKLSA-N 1 2 329.448 0.375 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2=CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)nc1 ZINC001017606515 768181320 /nfs/dbraw/zinc/18/13/20/768181320.db2.gz PTHCVXFVNGJUAN-UHFFFAOYSA-N 1 2 349.394 0.917 20 30 ECEDLO Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)CCn2cc[nH+]c2)n1 ZINC001106038922 764027017 /nfs/dbraw/zinc/02/70/17/764027017.db2.gz NLNKCYCRWLEGMC-AWEZNQCLSA-N 1 2 328.376 0.438 20 30 ECEDLO CN(C(=O)C1=CCOCC1)[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047358509 764106154 /nfs/dbraw/zinc/10/61/54/764106154.db2.gz ASBDTYNQFKPSHX-ROUUACIJSA-N 1 2 341.411 0.908 20 30 ECEDLO CN(C(=O)C1=CCOCC1)[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047358509 764106159 /nfs/dbraw/zinc/10/61/59/764106159.db2.gz ASBDTYNQFKPSHX-ROUUACIJSA-N 1 2 341.411 0.908 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3ccc[nH]3)C2)nn1 ZINC001098784767 768190946 /nfs/dbraw/zinc/19/09/46/768190946.db2.gz LETLTZCTXZDNME-MRXNPFEDSA-N 1 2 326.404 0.735 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(Cn3cccn3)o2)C1 ZINC001047391721 764195715 /nfs/dbraw/zinc/19/57/15/764195715.db2.gz RBSKDWXFURBTJR-HOTGVXAUSA-N 1 2 342.399 0.665 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(Cn3cccn3)o2)C1 ZINC001047391721 764195719 /nfs/dbraw/zinc/19/57/19/764195719.db2.gz RBSKDWXFURBTJR-HOTGVXAUSA-N 1 2 342.399 0.665 20 30 ECEDLO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3cc[nH]cc-3c2=O)C1 ZINC001047396562 764208191 /nfs/dbraw/zinc/20/81/91/764208191.db2.gz NJEGVBZOBKJZSE-GJZGRUSLSA-N 1 2 328.372 0.226 20 30 ECEDLO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3cc[nH]cc-3c2=O)C1 ZINC001047396562 764208196 /nfs/dbraw/zinc/20/81/96/764208196.db2.gz NJEGVBZOBKJZSE-GJZGRUSLSA-N 1 2 328.372 0.226 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(Br)c2)C1 ZINC001047402166 764228948 /nfs/dbraw/zinc/22/89/48/764228948.db2.gz LCMOUOGGZYYRBP-QWRGUYRKSA-N 1 2 327.178 0.792 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(Br)c2)C1 ZINC001047402166 764228954 /nfs/dbraw/zinc/22/89/54/764228954.db2.gz LCMOUOGGZYYRBP-QWRGUYRKSA-N 1 2 327.178 0.792 20 30 ECEDLO C=CCCn1cc(C(=O)NCC2C[NH+](Cc3ccnn3C)C2)nn1 ZINC001032041434 764251631 /nfs/dbraw/zinc/25/16/31/764251631.db2.gz NSCZIDKCYQHYSR-UHFFFAOYSA-N 1 2 329.408 0.450 20 30 ECEDLO C=CCn1cccc1C(=O)N(C)[C@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047409089 764254492 /nfs/dbraw/zinc/25/44/92/764254492.db2.gz PDYPKMSATUQFTR-BPUTZDHNSA-N 1 2 346.431 0.070 20 30 ECEDLO C=CCn1cccc1C(=O)N(C)[C@H]1C[N@H+]([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047409089 764254500 /nfs/dbraw/zinc/25/45/00/764254500.db2.gz PDYPKMSATUQFTR-BPUTZDHNSA-N 1 2 346.431 0.070 20 30 ECEDLO C=CCCn1cc(C(=O)NCC2C[NH+](Cc3nccnc3C)C2)nn1 ZINC001032041796 764256858 /nfs/dbraw/zinc/25/68/58/764256858.db2.gz BBYWNOXMWXCMEM-UHFFFAOYSA-N 1 2 341.419 0.814 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106066921 764279946 /nfs/dbraw/zinc/27/99/46/764279946.db2.gz NHSSSRSSZVABIG-QWHCGFSZSA-N 1 2 336.440 0.737 20 30 ECEDLO C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001052385098 764384479 /nfs/dbraw/zinc/38/44/79/764384479.db2.gz QOZHSZQFWOQFKA-RYUDHWBXSA-N 1 2 340.387 0.676 20 30 ECEDLO Cn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)ncc1=O ZINC001015329380 764386273 /nfs/dbraw/zinc/38/62/73/764386273.db2.gz LKZVWQKELMDVPW-HNNXBMFYSA-N 1 2 337.383 0.656 20 30 ECEDLO Cn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)ncc1=O ZINC001015329380 764386281 /nfs/dbraw/zinc/38/62/81/764386281.db2.gz LKZVWQKELMDVPW-HNNXBMFYSA-N 1 2 337.383 0.656 20 30 ECEDLO C[C@@]1(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)CNC(=O)C1 ZINC001015376362 764474606 /nfs/dbraw/zinc/47/46/06/764474606.db2.gz MVNCHBWBARVKQV-KDOFPFPSSA-N 1 2 344.390 0.914 20 30 ECEDLO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)CNC(=O)C1 ZINC001015376362 764474611 /nfs/dbraw/zinc/47/46/11/764474611.db2.gz MVNCHBWBARVKQV-KDOFPFPSSA-N 1 2 344.390 0.914 20 30 ECEDLO C[C@]1(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)CNC(=O)C1 ZINC001015376361 764475011 /nfs/dbraw/zinc/47/50/11/764475011.db2.gz MVNCHBWBARVKQV-KBXCAEBGSA-N 1 2 344.390 0.914 20 30 ECEDLO C[C@]1(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)CNC(=O)C1 ZINC001015376361 764475014 /nfs/dbraw/zinc/47/50/14/764475014.db2.gz MVNCHBWBARVKQV-KBXCAEBGSA-N 1 2 344.390 0.914 20 30 ECEDLO CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047492626 764499779 /nfs/dbraw/zinc/49/97/79/764499779.db2.gz RNGUERUPCAJHBY-XFIYOXNOSA-N 1 2 347.440 0.516 20 30 ECEDLO CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047492626 764499785 /nfs/dbraw/zinc/49/97/85/764499785.db2.gz RNGUERUPCAJHBY-XFIYOXNOSA-N 1 2 347.440 0.516 20 30 ECEDLO CCN(CCNc1cncc(C#N)n1)C(=O)CCc1[nH+]ccn1C ZINC001107000825 764517927 /nfs/dbraw/zinc/51/79/27/764517927.db2.gz RPAKUJTZHWZMRT-UHFFFAOYSA-N 1 2 327.392 0.975 20 30 ECEDLO C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001052457962 764542738 /nfs/dbraw/zinc/54/27/38/764542738.db2.gz XFXHXJKOOMCRFV-KBPBESRZSA-N 1 2 346.435 0.079 20 30 ECEDLO C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001052457962 764542745 /nfs/dbraw/zinc/54/27/45/764542745.db2.gz XFXHXJKOOMCRFV-KBPBESRZSA-N 1 2 346.435 0.079 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001052457962 764542749 /nfs/dbraw/zinc/54/27/49/764542749.db2.gz XFXHXJKOOMCRFV-KBPBESRZSA-N 1 2 346.435 0.079 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001052457962 764542755 /nfs/dbraw/zinc/54/27/55/764542755.db2.gz XFXHXJKOOMCRFV-KBPBESRZSA-N 1 2 346.435 0.079 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnn(C(C)C)c3)C2)nn1 ZINC001098766700 764548136 /nfs/dbraw/zinc/54/81/36/764548136.db2.gz FSEDAQDYGRPSBM-MRXNPFEDSA-N 1 2 341.419 0.866 20 30 ECEDLO C=C1CCC(C(=O)N(C)[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2O)CC1 ZINC001047512958 764556609 /nfs/dbraw/zinc/55/66/09/764556609.db2.gz ZQANEZDGKQKSKU-ILXRZTDVSA-N 1 2 349.431 0.042 20 30 ECEDLO C=C1CCC(C(=O)N(C)[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2O)CC1 ZINC001047512958 764556614 /nfs/dbraw/zinc/55/66/14/764556614.db2.gz ZQANEZDGKQKSKU-ILXRZTDVSA-N 1 2 349.431 0.042 20 30 ECEDLO Cc1n[nH]cc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077481537 764608708 /nfs/dbraw/zinc/60/87/08/764608708.db2.gz RNHQYRCBMPOACI-HZPDHXFCSA-N 1 2 325.372 0.565 20 30 ECEDLO Cc1n[nH]cc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077481537 764608710 /nfs/dbraw/zinc/60/87/10/764608710.db2.gz RNHQYRCBMPOACI-HZPDHXFCSA-N 1 2 325.372 0.565 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cn(C)nc3Cl)C2)nn1 ZINC001098768075 764644837 /nfs/dbraw/zinc/64/48/37/764644837.db2.gz QMSBCLOLIYEOPF-GFCCVEGCSA-N 1 2 347.810 0.475 20 30 ECEDLO C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(S(C)(=O)=O)o2)C1 ZINC001047550019 764665803 /nfs/dbraw/zinc/66/58/03/764665803.db2.gz KEYMWAQOMDBXDF-RYUDHWBXSA-N 1 2 342.417 0.376 20 30 ECEDLO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(S(C)(=O)=O)o2)C1 ZINC001047550019 764665806 /nfs/dbraw/zinc/66/58/06/764665806.db2.gz KEYMWAQOMDBXDF-RYUDHWBXSA-N 1 2 342.417 0.376 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(F)cccc2NC(C)=O)C1 ZINC001047550288 764667219 /nfs/dbraw/zinc/66/72/19/764667219.db2.gz XVRJAQPPTCHGMF-GJZGRUSLSA-N 1 2 333.363 0.534 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(F)cccc2NC(C)=O)C1 ZINC001047550288 764667227 /nfs/dbraw/zinc/66/72/27/764667227.db2.gz XVRJAQPPTCHGMF-GJZGRUSLSA-N 1 2 333.363 0.534 20 30 ECEDLO Cc1c[nH]c(C(=O)N(C)[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@@H]2O)n1 ZINC001047558206 764691560 /nfs/dbraw/zinc/69/15/60/764691560.db2.gz DUZLWZUWIPMRKA-HOTGVXAUSA-N 1 2 339.399 0.907 20 30 ECEDLO Cc1c[nH]c(C(=O)N(C)[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@@H]2O)n1 ZINC001047558206 764691565 /nfs/dbraw/zinc/69/15/65/764691565.db2.gz DUZLWZUWIPMRKA-HOTGVXAUSA-N 1 2 339.399 0.907 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2conc2C)C[C@@H]1O ZINC001047561815 764696014 /nfs/dbraw/zinc/69/60/14/764696014.db2.gz XCDGEZSCZGLMDS-QAETUUGQSA-N 1 2 349.431 0.968 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2conc2C)C[C@@H]1O ZINC001047561815 764696016 /nfs/dbraw/zinc/69/60/16/764696016.db2.gz XCDGEZSCZGLMDS-QAETUUGQSA-N 1 2 349.431 0.968 20 30 ECEDLO C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001052547378 764730810 /nfs/dbraw/zinc/73/08/10/764730810.db2.gz FJARTMLHTNHIKD-HOCLYGCPSA-N 1 2 342.443 0.977 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2C[NH+](CC(=O)N3CCCC3)C2)cn1 ZINC001032137399 764790491 /nfs/dbraw/zinc/79/04/91/764790491.db2.gz PWWOEMGWQDFANL-UHFFFAOYSA-N 1 2 326.400 0.347 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3nnnn3C)CC2)cc1 ZINC001052613826 764848624 /nfs/dbraw/zinc/84/86/24/764848624.db2.gz GEUGPKZIASFFDR-INIZCTEOSA-N 1 2 338.415 0.976 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3nnnn3C)CC2)cc1 ZINC001052613826 764848629 /nfs/dbraw/zinc/84/86/29/764848629.db2.gz GEUGPKZIASFFDR-INIZCTEOSA-N 1 2 338.415 0.976 20 30 ECEDLO Cn1nnc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC001015544779 764922814 /nfs/dbraw/zinc/92/28/14/764922814.db2.gz HAXKVRQDQUHAOM-AWEZNQCLSA-N 1 2 328.351 0.205 20 30 ECEDLO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC001015544779 764922818 /nfs/dbraw/zinc/92/28/18/764922818.db2.gz HAXKVRQDQUHAOM-AWEZNQCLSA-N 1 2 328.351 0.205 20 30 ECEDLO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)n1 ZINC001015554571 764952084 /nfs/dbraw/zinc/95/20/84/764952084.db2.gz OEAYHKOZVKSPLT-GFCCVEGCSA-N 1 2 329.339 0.225 20 30 ECEDLO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)n1 ZINC001015554571 764952093 /nfs/dbraw/zinc/95/20/93/764952093.db2.gz OEAYHKOZVKSPLT-GFCCVEGCSA-N 1 2 329.339 0.225 20 30 ECEDLO Cc1nc(N[C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2n2ccnn2)cc[nH+]1 ZINC001089088579 765056902 /nfs/dbraw/zinc/05/69/02/765056902.db2.gz OGPGYOHQCQDJQF-CABCVRRESA-N 1 2 339.403 0.900 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)c1 ZINC001015633814 765106940 /nfs/dbraw/zinc/10/69/40/765106940.db2.gz JAVTUKFTEABBMB-TZMCWYRMSA-N 1 2 331.351 0.069 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)c1 ZINC001015633814 765106943 /nfs/dbraw/zinc/10/69/43/765106943.db2.gz JAVTUKFTEABBMB-TZMCWYRMSA-N 1 2 331.351 0.069 20 30 ECEDLO C#CCC[N@H+]1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001052799462 765142768 /nfs/dbraw/zinc/14/27/68/765142768.db2.gz MUCLQTOVNNMRRU-CYBMUJFWSA-N 1 2 342.403 0.065 20 30 ECEDLO C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001052799462 765142771 /nfs/dbraw/zinc/14/27/71/765142771.db2.gz MUCLQTOVNNMRRU-CYBMUJFWSA-N 1 2 342.403 0.065 20 30 ECEDLO C[C@]1(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)CCNC1=O ZINC001015695973 765179666 /nfs/dbraw/zinc/17/96/66/765179666.db2.gz SFNNBESAMZWPHH-KSSFIOAISA-N 1 2 344.390 0.914 20 30 ECEDLO C[C@]1(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)CCNC1=O ZINC001015695973 765179670 /nfs/dbraw/zinc/17/96/70/765179670.db2.gz SFNNBESAMZWPHH-KSSFIOAISA-N 1 2 344.390 0.914 20 30 ECEDLO C=CCCOCC(=O)N1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001052841014 765212169 /nfs/dbraw/zinc/21/21/69/765212169.db2.gz JXDPDMMSSFSRQF-HUUCEWRRSA-N 1 2 334.420 0.687 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnoc3CC)C2)C1=O ZINC001015779886 765305893 /nfs/dbraw/zinc/30/58/93/765305893.db2.gz ULCJFFCBNXRQNV-JSGCOSHPSA-N 1 2 332.404 0.828 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnoc3CC)C2)C1=O ZINC001015779886 765305907 /nfs/dbraw/zinc/30/59/07/765305907.db2.gz ULCJFFCBNXRQNV-JSGCOSHPSA-N 1 2 332.404 0.828 20 30 ECEDLO C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001053109530 765590509 /nfs/dbraw/zinc/59/05/09/765590509.db2.gz QYPCMLZPPFKTFB-TZMCWYRMSA-N 1 2 334.420 0.674 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC000992145457 765651727 /nfs/dbraw/zinc/65/17/27/765651727.db2.gz PHRDVJXZYCUCDK-NDTCATRNSA-N 1 2 346.431 0.875 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]2O)cc1 ZINC001077496242 765655316 /nfs/dbraw/zinc/65/53/16/765655316.db2.gz MULGULGLRVFMSM-JCURWCKSSA-N 1 2 341.411 0.110 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]2O)cc1 ZINC001077496242 765655319 /nfs/dbraw/zinc/65/53/19/765655319.db2.gz MULGULGLRVFMSM-JCURWCKSSA-N 1 2 341.411 0.110 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(Cl)no3)C2)C1=O ZINC001016057071 765750681 /nfs/dbraw/zinc/75/06/81/765750681.db2.gz SADFNTCERAQZPF-GHMZBOCLSA-N 1 2 338.795 0.919 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cc(Cl)no3)C2)C1=O ZINC001016057071 765750685 /nfs/dbraw/zinc/75/06/85/765750685.db2.gz SADFNTCERAQZPF-GHMZBOCLSA-N 1 2 338.795 0.919 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CN1C(=O)CC(C)(C)C1=O)CCO2 ZINC001053259418 765858376 /nfs/dbraw/zinc/85/83/76/765858376.db2.gz WOLZJFWRQXPNDH-UHFFFAOYSA-N 1 2 349.431 0.261 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCc3cncn3C1)CCO2 ZINC001053316368 765957625 /nfs/dbraw/zinc/95/76/25/765957625.db2.gz PYDXVKPOTKKMQB-OAHLLOKOSA-N 1 2 330.432 0.935 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCOC3(C[NH+](C[C@@H](C)OC)C3)C2)c1 ZINC001053422553 766106982 /nfs/dbraw/zinc/10/69/82/766106982.db2.gz MCYNITNGHHZTEH-CQSZACIVSA-N 1 2 329.400 0.625 20 30 ECEDLO C=CCn1cc(C(=O)N2CCOC3(C[NH+](C[C@@H](CC)OC)C3)C2)nn1 ZINC001053463990 766176193 /nfs/dbraw/zinc/17/61/93/766176193.db2.gz UMWOPNVZFBTSBS-CQSZACIVSA-N 1 2 349.435 0.416 20 30 ECEDLO Cc1cccn2cc(CC(=O)N3CCOC4(CN(CC#N)C4)C3)[nH+]c12 ZINC001053470596 766188215 /nfs/dbraw/zinc/18/82/15/766188215.db2.gz AHLOLYMASRCBSW-UHFFFAOYSA-N 1 2 339.399 0.622 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001016371584 766195236 /nfs/dbraw/zinc/19/52/36/766195236.db2.gz NWWZFWKMQAVLPZ-UHFFFAOYSA-N 1 2 326.360 0.502 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCCN1C(N)=O)CCO2 ZINC001053505586 766251864 /nfs/dbraw/zinc/25/18/64/766251864.db2.gz ZKHZIAYXARFLBN-CQSZACIVSA-N 1 2 336.436 0.409 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnn(CCOC)c1C)O2 ZINC001053599361 766405488 /nfs/dbraw/zinc/40/54/88/766405488.db2.gz RFNFCHIGHIBNNL-OAHLLOKOSA-N 1 2 348.447 0.987 20 30 ECEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001031669705 766408370 /nfs/dbraw/zinc/40/83/70/766408370.db2.gz RQXXYFNLPTZEHD-LBPRGKRZSA-N 1 2 337.811 0.563 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc3nnnn3c1)O2 ZINC001053628423 766473774 /nfs/dbraw/zinc/47/37/74/766473774.db2.gz NNJRXKZETPFOAM-ZDUSSCGKSA-N 1 2 328.376 0.274 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(=O)c(OC)c[nH]1)O2 ZINC001053628586 766474087 /nfs/dbraw/zinc/47/40/87/766474087.db2.gz RXXVLACVYCMRNI-GFCCVEGCSA-N 1 2 333.388 0.533 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccoc1CC(N)=O)O2 ZINC001053654314 766520596 /nfs/dbraw/zinc/52/05/96/766520596.db2.gz IQSQRZVIJAMRAY-LBPRGKRZSA-N 1 2 333.388 0.457 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CC1)O2 ZINC001053674321 766555526 /nfs/dbraw/zinc/55/55/26/766555526.db2.gz LPJVJBJYAHFSOD-CVEARBPZSA-N 1 2 347.459 0.923 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(C(N)=O)s1)O2 ZINC001053678554 766564713 /nfs/dbraw/zinc/56/47/13/766564713.db2.gz GFBMAVCTGDWJSA-NSHDSACASA-N 1 2 335.429 0.996 20 30 ECEDLO C[C@@H](CC(=O)NC[C@H](O)CNc1ncccc1C#N)n1cc[nH+]c1 ZINC001106132008 766601421 /nfs/dbraw/zinc/60/14/21/766601421.db2.gz PMUVHHXLLAOJMX-JSGCOSHPSA-N 1 2 328.376 0.690 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001212258435 766605602 /nfs/dbraw/zinc/60/56/02/766605602.db2.gz SUTKKRDNKMXQQC-QXAKKESOSA-N 1 2 340.423 0.892 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001212258435 766605610 /nfs/dbraw/zinc/60/56/10/766605610.db2.gz SUTKKRDNKMXQQC-QXAKKESOSA-N 1 2 340.423 0.892 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccc(C(N)=O)n1)O2 ZINC001053701651 766623456 /nfs/dbraw/zinc/62/34/56/766623456.db2.gz ACUQUKREGAPLHN-LBPRGKRZSA-N 1 2 330.388 0.330 20 30 ECEDLO CCc1noc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)n1 ZINC001046011765 766636652 /nfs/dbraw/zinc/63/66/52/766636652.db2.gz HGIAHCNAHCGZSA-KBPBESRZSA-N 1 2 346.435 0.510 20 30 ECEDLO CCc1noc(C[N@H+]2CC[C@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)n1 ZINC001046011765 766636654 /nfs/dbraw/zinc/63/66/54/766636654.db2.gz HGIAHCNAHCGZSA-KBPBESRZSA-N 1 2 346.435 0.510 20 30 ECEDLO Cn1nc(C2CC2)cc1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046033597 766710268 /nfs/dbraw/zinc/71/02/68/766710268.db2.gz ISENQTHEQZCBEZ-OAHLLOKOSA-N 1 2 342.447 0.653 20 30 ECEDLO CC(C)Cn1ccc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)n1 ZINC001046034972 766718294 /nfs/dbraw/zinc/71/82/94/766718294.db2.gz ZZKZZCBZLTURLB-INIZCTEOSA-N 1 2 344.463 0.895 20 30 ECEDLO CCc1c[nH]c(CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)n1 ZINC001046036123 766723676 /nfs/dbraw/zinc/72/36/76/766723676.db2.gz ASNACNRIFSLLGW-OAHLLOKOSA-N 1 2 330.436 0.257 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cccc4ncnn43)CC2)C1 ZINC001046042557 766756390 /nfs/dbraw/zinc/75/63/90/766756390.db2.gz YBWYQOSOWCICCI-AWEZNQCLSA-N 1 2 339.403 0.085 20 30 ECEDLO CCCc1c(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)cnn1C ZINC001046042851 766757683 /nfs/dbraw/zinc/75/76/83/766757683.db2.gz ODIPFZLUGPNRKF-OAHLLOKOSA-N 1 2 344.463 0.728 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](O)CNc1ncc(C#N)cc1F ZINC001106134718 766893001 /nfs/dbraw/zinc/89/30/01/766893001.db2.gz DVVJKCZCDZABBN-GXFFZTMASA-N 1 2 346.366 0.583 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](O)CNc1ncc(C#N)cc1F ZINC001106134718 766893011 /nfs/dbraw/zinc/89/30/11/766893011.db2.gz DVVJKCZCDZABBN-GXFFZTMASA-N 1 2 346.366 0.583 20 30 ECEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H]2COC3(CN(CC#N)C3)C2)[nH]n1 ZINC001053805557 766894290 /nfs/dbraw/zinc/89/42/90/766894290.db2.gz UHTVJILYZMMPRH-IUODEOHRSA-N 1 2 344.419 0.273 20 30 ECEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H]2COC3(CN(CC#N)C3)C2)[nH]n1 ZINC001053805557 766894297 /nfs/dbraw/zinc/89/42/97/766894297.db2.gz UHTVJILYZMMPRH-IUODEOHRSA-N 1 2 344.419 0.273 20 30 ECEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H]2COC3(CN(CC#N)C3)C2)[nH]n1 ZINC001053805559 766894638 /nfs/dbraw/zinc/89/46/38/766894638.db2.gz UHTVJILYZMMPRH-SWLSCSKDSA-N 1 2 344.419 0.273 20 30 ECEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H]2COC3(CN(CC#N)C3)C2)[nH]n1 ZINC001053805559 766894649 /nfs/dbraw/zinc/89/46/49/766894649.db2.gz UHTVJILYZMMPRH-SWLSCSKDSA-N 1 2 344.419 0.273 20 30 ECEDLO C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046075498 766896497 /nfs/dbraw/zinc/89/64/97/766896497.db2.gz VAELYYJSDUXCLC-DOTOQJQBSA-N 1 2 344.463 0.341 20 30 ECEDLO Cc1nc(NC[C@H](O)CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)ccc1C#N ZINC001106135174 766900574 /nfs/dbraw/zinc/90/05/74/766900574.db2.gz NXEOEBUQSDMTRN-NHYWBVRUSA-N 1 2 342.403 0.753 20 30 ECEDLO Cc1nc(NC[C@H](O)CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)ccc1C#N ZINC001106135174 766900576 /nfs/dbraw/zinc/90/05/76/766900576.db2.gz NXEOEBUQSDMTRN-NHYWBVRUSA-N 1 2 342.403 0.753 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3CC34CCOCC4)CC2)C1 ZINC001046090064 766932130 /nfs/dbraw/zinc/93/21/30/766932130.db2.gz NJCSNALLBSJUAW-CVEARBPZSA-N 1 2 332.448 0.545 20 30 ECEDLO N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)s1 ZINC001078270652 782597164 /nfs/dbraw/zinc/59/71/64/782597164.db2.gz HURBKEVEXNURBF-ZIAGYGMSSA-N 1 2 331.401 0.178 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnn3ccncc13)CO2 ZINC001053831015 766964815 /nfs/dbraw/zinc/96/48/15/766964815.db2.gz RWDHVDGMGSKCPF-ZDUSSCGKSA-N 1 2 327.388 0.879 20 30 ECEDLO N#Cc1ccc(F)c(CN2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001078270567 782597411 /nfs/dbraw/zinc/59/74/11/782597411.db2.gz DQFZYVMEQUMQJR-HZPDHXFCSA-N 1 2 343.362 0.255 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc3[nH]c(=O)[nH]c31)CO2 ZINC001053831691 766967839 /nfs/dbraw/zinc/96/78/39/766967839.db2.gz MSISOIOVMHWSGM-GFCCVEGCSA-N 1 2 340.383 0.865 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cncc3ncn(C)c31)CO2 ZINC001053834554 766972797 /nfs/dbraw/zinc/97/27/97/766972797.db2.gz PLJFFYXFFVHSQN-ZDUSSCGKSA-N 1 2 339.399 0.565 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc3n[nH]cc3c1)CO2 ZINC001053843043 766996466 /nfs/dbraw/zinc/99/64/66/766996466.db2.gz CVHNBASSZZAFLW-CQSZACIVSA-N 1 2 325.372 0.554 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)n1cnc(C)c1)CO2 ZINC001053844038 766998745 /nfs/dbraw/zinc/99/87/45/766998745.db2.gz BVQOAOZAZYSBMZ-OAHLLOKOSA-N 1 2 330.432 0.909 20 30 ECEDLO C=CCOc1ccccc1C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053849667 767013611 /nfs/dbraw/zinc/01/36/11/767013611.db2.gz QCHMOFKBQJVTKF-CQSZACIVSA-N 1 2 332.400 0.817 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn(C)nc1COC)CO2 ZINC001053851738 767021802 /nfs/dbraw/zinc/02/18/02/767021802.db2.gz ZJKXGMHQUPRCHA-CYBMUJFWSA-N 1 2 334.420 0.716 20 30 ECEDLO CC#CCN1CC2(C1)C[C@@H](NC(=O)[C@H]1CCn3cc[nH+]c3C1)CO2 ZINC001053852692 767024897 /nfs/dbraw/zinc/02/48/97/767024897.db2.gz ORKBPUBYAUQKIX-LSDHHAIUSA-N 1 2 328.416 0.428 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc3[nH]c(=O)[nH]c3c1)CO2 ZINC001053854278 767029141 /nfs/dbraw/zinc/02/91/41/767029141.db2.gz VDNWQXVEDLMYMC-GFCCVEGCSA-N 1 2 341.371 0.260 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccnc3n[nH]nc31)CO2 ZINC001053867686 767078251 /nfs/dbraw/zinc/07/82/51/767078251.db2.gz PYZLRZVKWQBXID-NSHDSACASA-N 1 2 328.376 0.502 20 30 ECEDLO Cc1nonc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001078277675 782604967 /nfs/dbraw/zinc/60/49/67/782604967.db2.gz KMPUIWMWXBSJCY-ZIAGYGMSSA-N 1 2 327.344 0.225 20 30 ECEDLO Cc1nonc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001078277675 782604969 /nfs/dbraw/zinc/60/49/69/782604969.db2.gz KMPUIWMWXBSJCY-ZIAGYGMSSA-N 1 2 327.344 0.225 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccnn1C)CO2 ZINC001053879405 767127308 /nfs/dbraw/zinc/12/73/08/767127308.db2.gz PUNUWZBCYAFVBU-RBSFLKMASA-N 1 2 328.416 0.506 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1ccccc1C(N)=O)CO2 ZINC001053888173 767216463 /nfs/dbraw/zinc/21/64/63/767216463.db2.gz BHYMUTKGNJMLIW-OAHLLOKOSA-N 1 2 343.427 0.864 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001046432018 767218133 /nfs/dbraw/zinc/21/81/33/767218133.db2.gz PMULUYPSJZZWQL-NHYWBVRUSA-N 1 2 339.827 0.879 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001046432018 767218134 /nfs/dbraw/zinc/21/81/34/767218134.db2.gz PMULUYPSJZZWQL-NHYWBVRUSA-N 1 2 339.827 0.879 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CCC(=O)NC3)C2)c(F)c1 ZINC001031804665 767244208 /nfs/dbraw/zinc/24/42/08/767244208.db2.gz IBRJXYUNUMJQIY-AWEZNQCLSA-N 1 2 344.390 0.772 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2C2CC2)[C@H](OC)C1 ZINC001212338160 767252597 /nfs/dbraw/zinc/25/25/97/767252597.db2.gz GLLVTLICMUXVQA-HZPDHXFCSA-N 1 2 346.431 0.376 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2cn(C)nc2C2CC2)[C@H](OC)C1 ZINC001212338160 767252599 /nfs/dbraw/zinc/25/25/99/767252599.db2.gz GLLVTLICMUXVQA-HZPDHXFCSA-N 1 2 346.431 0.376 20 30 ECEDLO N#Cc1nccc(N2CC=C(CNC(=O)CCc3[nH]cc[nH+]3)CC2)n1 ZINC001127628949 767289258 /nfs/dbraw/zinc/28/92/58/767289258.db2.gz VUDICXZCXSAEDB-UHFFFAOYSA-N 1 2 337.387 0.957 20 30 ECEDLO Cn1nnc(C(=O)N[C@]2(C)CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC001046544952 767295927 /nfs/dbraw/zinc/29/59/27/767295927.db2.gz VGROVBIUCFYTBJ-MRXNPFEDSA-N 1 2 343.366 0.615 20 30 ECEDLO Cn1nnc(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC001046544952 767295930 /nfs/dbraw/zinc/29/59/30/767295930.db2.gz VGROVBIUCFYTBJ-MRXNPFEDSA-N 1 2 343.366 0.615 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccoc1CC(N)=O)CO2 ZINC001053906166 767319137 /nfs/dbraw/zinc/31/91/37/767319137.db2.gz UAVCLFUUDRZSCH-GFCCVEGCSA-N 1 2 333.388 0.457 20 30 ECEDLO C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046583605 767330814 /nfs/dbraw/zinc/33/08/14/767330814.db2.gz AAQKYVZXFXDOGO-RHSMWYFYSA-N 1 2 345.378 0.459 20 30 ECEDLO C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046583605 767330818 /nfs/dbraw/zinc/33/08/18/767330818.db2.gz AAQKYVZXFXDOGO-RHSMWYFYSA-N 1 2 345.378 0.459 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cn(CCC(C)C)nn1)CO2 ZINC001053922641 767367916 /nfs/dbraw/zinc/36/79/16/767367916.db2.gz FTMUTIUNLMRTFD-HNNXBMFYSA-N 1 2 345.447 0.921 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001046628743 767395929 /nfs/dbraw/zinc/39/59/29/767395929.db2.gz PDLHGSQNUMQXDC-NRUUGDAUSA-N 1 2 330.226 0.597 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001046628743 767395939 /nfs/dbraw/zinc/39/59/39/767395939.db2.gz PDLHGSQNUMQXDC-NRUUGDAUSA-N 1 2 330.226 0.597 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1scnc1COC)CO2 ZINC001053950253 767434085 /nfs/dbraw/zinc/43/40/85/767434085.db2.gz YBBYGKJDIHORIH-LBPRGKRZSA-N 1 2 335.429 0.886 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 ZINC001106172062 767471553 /nfs/dbraw/zinc/47/15/53/767471553.db2.gz QUXZQYSTENAQAH-HNNXBMFYSA-N 1 2 341.371 0.489 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3cnnn3C)C2)nn1 ZINC001046689097 767485829 /nfs/dbraw/zinc/48/58/29/767485829.db2.gz FWPRZFRUYQSAIS-INIZCTEOSA-N 1 2 344.423 0.377 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@]2(C)CC[N@H+](Cc3cnnn3C)C2)nn1 ZINC001046689097 767485831 /nfs/dbraw/zinc/48/58/31/767485831.db2.gz FWPRZFRUYQSAIS-INIZCTEOSA-N 1 2 344.423 0.377 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C1(N3CCOCC3)CCC1)CO2 ZINC001053970819 767494482 /nfs/dbraw/zinc/49/44/82/767494482.db2.gz XGDQMMDEDXWIMU-INIZCTEOSA-N 1 2 349.475 0.777 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001053977140 767510409 /nfs/dbraw/zinc/51/04/09/767510409.db2.gz NVCSDPGOSDXSLG-ZIAGYGMSSA-N 1 2 347.415 0.600 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)CN1CCCCCC1=O)CO2 ZINC001054001696 767566407 /nfs/dbraw/zinc/56/64/07/767566407.db2.gz HLKNADJRHRZKRL-OAHLLOKOSA-N 1 2 333.432 0.372 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1nc(C3CC3)nn1C)CO2 ZINC001054015095 767603155 /nfs/dbraw/zinc/60/31/55/767603155.db2.gz YOFJGPMVIUBWGG-AWEZNQCLSA-N 1 2 343.431 0.218 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001054053443 767652393 /nfs/dbraw/zinc/65/23/93/767652393.db2.gz UXHBIMQXMDWKDH-FGTMMUONSA-N 1 2 339.439 0.887 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001054053443 767652397 /nfs/dbraw/zinc/65/23/97/767652397.db2.gz UXHBIMQXMDWKDH-FGTMMUONSA-N 1 2 339.439 0.887 20 30 ECEDLO C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1CN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC000992890677 767747378 /nfs/dbraw/zinc/74/73/78/767747378.db2.gz OZUDNIMGGZKGHM-KBXCAEBGSA-N 1 2 326.400 0.673 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@@H+]1Cc1cnnn1C ZINC000993204646 768465160 /nfs/dbraw/zinc/46/51/60/768465160.db2.gz RADQIGRKAJWVBD-IAQYHMDHSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@H+]1Cc1cnnn1C ZINC000993204646 768465166 /nfs/dbraw/zinc/46/51/66/768465166.db2.gz RADQIGRKAJWVBD-IAQYHMDHSA-N 1 2 327.392 0.798 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCc3cnn(C)c3)C2)nn1 ZINC001098789381 768576912 /nfs/dbraw/zinc/57/69/12/768576912.db2.gz CDCQPFMTQYTIPN-INIZCTEOSA-N 1 2 341.419 0.141 20 30 ECEDLO CCN(CCNc1nc(N(C)C)nc(C)[nH+]1)C(=O)CSCC#N ZINC001106693800 768601906 /nfs/dbraw/zinc/60/19/06/768601906.db2.gz DAYIBGJAIMWLBO-UHFFFAOYSA-N 1 2 337.453 0.763 20 30 ECEDLO C[C@@H]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cn1cc[nH+]c1 ZINC001018071285 768685420 /nfs/dbraw/zinc/68/54/20/768685420.db2.gz RHERWDXWQOLFAC-TZMCWYRMSA-N 1 2 340.387 0.892 20 30 ECEDLO C[C@@H]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)Cn1cc[nH+]c1 ZINC001018087173 768704199 /nfs/dbraw/zinc/70/41/99/768704199.db2.gz IJZQWPUZCYXAQH-OCCSQVGLSA-N 1 2 340.387 0.892 20 30 ECEDLO C#CCCCCC(=O)N1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001055292477 768746491 /nfs/dbraw/zinc/74/64/91/768746491.db2.gz UMQNIKBVFNKIGO-IYBDPMFKSA-N 1 2 328.416 0.994 20 30 ECEDLO C[C@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)CN1C(=O)C#CC1CC1 ZINC001018276735 769019755 /nfs/dbraw/zinc/01/97/55/769019755.db2.gz PREFGZSTWHPLSR-DZGCQCFKSA-N 1 2 328.416 0.872 20 30 ECEDLO C#CCCCC(=O)NCC[NH+]1CCC(NC(=O)c2[nH]ncc2F)CC1 ZINC001055567946 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Cn1c[nH+]cc1CC(=O)N1CCC[C@H](Nc2cncc(C#N)n2)C1 ZINC001057671027 772897904 /nfs/dbraw/zinc/89/79/04/772897904.db2.gz JZWXYRRWDRHANR-LBPRGKRZSA-N 1 2 325.376 0.727 20 30 ECEDLO C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001057806793 773005994 /nfs/dbraw/zinc/00/59/94/773005994.db2.gz RLQJRSVTFLLIOS-HNNXBMFYSA-N 1 2 348.447 0.739 20 30 ECEDLO C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)CCc1c[nH]c[nH+]1 ZINC001057900951 773157924 /nfs/dbraw/zinc/15/79/24/773157924.db2.gz AJTQNHNBPZTHSO-UHFFFAOYSA-N 1 2 336.436 0.882 20 30 ECEDLO C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)CCc1c[nH+]c[nH]1 ZINC001057900951 773157925 /nfs/dbraw/zinc/15/79/25/773157925.db2.gz AJTQNHNBPZTHSO-UHFFFAOYSA-N 1 2 336.436 0.882 20 30 ECEDLO C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001057947039 773250670 /nfs/dbraw/zinc/25/06/70/773250670.db2.gz OVOQUZVHJKPKJP-AWEZNQCLSA-N 1 2 334.420 0.349 20 30 ECEDLO CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001057947240 773251506 /nfs/dbraw/zinc/25/15/06/773251506.db2.gz TYBRIRLUHFCVOV-OAHLLOKOSA-N 1 2 346.431 0.042 20 30 ECEDLO C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001057968950 773307067 /nfs/dbraw/zinc/30/70/67/773307067.db2.gz VFSILPUVYSPLHM-ZIAGYGMSSA-N 1 2 332.404 0.254 20 30 ECEDLO C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001057968950 773307075 /nfs/dbraw/zinc/30/70/75/773307075.db2.gz VFSILPUVYSPLHM-ZIAGYGMSSA-N 1 2 332.404 0.254 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N(CCO)CCNC(=O)C#CC(C)C)c[nH+]1 ZINC001057972151 773313824 /nfs/dbraw/zinc/31/38/24/773313824.db2.gz QOPNMCRLVTXVDM-UHFFFAOYSA-N 1 2 348.447 0.523 20 30 ECEDLO C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)c1cccc2[nH+]ccn21 ZINC001058081293 773495690 /nfs/dbraw/zinc/49/56/90/773495690.db2.gz BXVULGXJCIFMKT-LBPRGKRZSA-N 1 2 329.360 0.045 20 30 ECEDLO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001058303790 773938044 /nfs/dbraw/zinc/93/80/44/773938044.db2.gz KDVOWNWSWRZEGF-CQSZACIVSA-N 1 2 348.447 0.595 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001058330154 773985129 /nfs/dbraw/zinc/98/51/29/773985129.db2.gz MCPQFVGBQBRSKJ-NSHDSACASA-N 1 2 336.359 0.572 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001040634407 783144273 /nfs/dbraw/zinc/14/42/73/783144273.db2.gz ZIALEEKEEWHRHZ-GUYCJALGSA-N 1 2 334.420 0.634 20 30 ECEDLO C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CN1c1ccc(C#N)nn1 ZINC001039817866 783145311 /nfs/dbraw/zinc/14/53/11/783145311.db2.gz IXSZGVKEWHYKHU-DGCLKSJQSA-N 1 2 325.376 0.788 20 30 ECEDLO CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001039830717 783169239 /nfs/dbraw/zinc/16/92/39/783169239.db2.gz KWUOUHPSKHSOFU-KBXCAEBGSA-N 1 2 346.431 0.327 20 30 ECEDLO CC(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001039830717 783169247 /nfs/dbraw/zinc/16/92/47/783169247.db2.gz KWUOUHPSKHSOFU-KBXCAEBGSA-N 1 2 346.431 0.327 20 30 ECEDLO N#Cc1ccc(N2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H](O)C2)nn1 ZINC001044768121 774591184 /nfs/dbraw/zinc/59/11/84/774591184.db2.gz VDQCMHBCGUZZIR-CABCVRRESA-N 1 2 349.354 0.204 20 30 ECEDLO COCc1noc(C[NH2+]C[C@@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)n1 ZINC001045001839 774819512 /nfs/dbraw/zinc/81/95/12/774819512.db2.gz AUEQWZUWRPGRCR-ZDUSSCGKSA-N 1 2 344.375 0.810 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@H]2C[NH2+]Cc2nc(C)no2)nn1 ZINC001045232158 775189619 /nfs/dbraw/zinc/18/96/19/775189619.db2.gz IXUKSZYZWKXIFX-LBPRGKRZSA-N 1 2 331.380 0.550 20 30 ECEDLO C[C@H](c1nnnn1C)[NH+]1CCC(C)(NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001045407010 775549765 /nfs/dbraw/zinc/54/97/65/775549765.db2.gz NWEBXVVXNVNFNQ-LLVKDONJSA-N 1 2 342.407 0.755 20 30 ECEDLO C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001045458722 775641572 /nfs/dbraw/zinc/64/15/72/775641572.db2.gz KWYRSDKGCAQIFN-ZIAGYGMSSA-N 1 2 346.431 0.569 20 30 ECEDLO CN(C(=O)Cn1cncn1)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001044268108 776016142 /nfs/dbraw/zinc/01/61/42/776016142.db2.gz HEPLTDXQKHZDNA-UHFFFAOYSA-N 1 2 340.387 0.523 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001070040869 790423758 /nfs/dbraw/zinc/42/37/58/790423758.db2.gz JKLSVDGVKVQEJV-CVEARBPZSA-N 1 2 326.404 0.902 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001070040869 790423765 /nfs/dbraw/zinc/42/37/65/790423765.db2.gz JKLSVDGVKVQEJV-CVEARBPZSA-N 1 2 326.404 0.902 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001044405370 776280845 /nfs/dbraw/zinc/28/08/45/776280845.db2.gz XGKZFRSMORZKGJ-UHFFFAOYSA-N 1 2 334.420 0.254 20 30 ECEDLO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001044474869 776335715 /nfs/dbraw/zinc/33/57/15/776335715.db2.gz FJZCRVJUZVMLBI-CHWSQXEVSA-N 1 2 346.431 0.425 20 30 ECEDLO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001044475311 776335903 /nfs/dbraw/zinc/33/59/03/776335903.db2.gz OPYJQPOPMCYHEN-CYBMUJFWSA-N 1 2 346.431 0.347 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001044714355 776685751 /nfs/dbraw/zinc/68/57/51/776685751.db2.gz ITOVIKRLBJSDEI-KBPBESRZSA-N 1 2 348.447 0.500 20 30 ECEDLO C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001079773582 776842124 /nfs/dbraw/zinc/84/21/24/776842124.db2.gz QTPHJVMFQIYMRW-CQSZACIVSA-N 1 2 346.431 0.688 20 30 ECEDLO C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001079773582 776842130 /nfs/dbraw/zinc/84/21/30/776842130.db2.gz QTPHJVMFQIYMRW-CQSZACIVSA-N 1 2 346.431 0.688 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cn(C(C)C)nn2)[C@@H](n2ccnn2)C1 ZINC001070065660 790491277 /nfs/dbraw/zinc/49/12/77/790491277.db2.gz CLFQNQHTUOHGQP-OCCSQVGLSA-N 1 2 330.396 0.292 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cn(C(C)C)nn2)[C@@H](n2ccnn2)C1 ZINC001070065660 790491282 /nfs/dbraw/zinc/49/12/82/790491282.db2.gz CLFQNQHTUOHGQP-OCCSQVGLSA-N 1 2 330.396 0.292 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cccc(OC)n2)[C@@H](n2ccnn2)C1 ZINC001070068033 790497879 /nfs/dbraw/zinc/49/78/79/790497879.db2.gz CCNLVTSMWZGRBP-CABCVRRESA-N 1 2 340.387 0.360 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(OC)n2)[C@@H](n2ccnn2)C1 ZINC001070068033 790497883 /nfs/dbraw/zinc/49/78/83/790497883.db2.gz CCNLVTSMWZGRBP-CABCVRRESA-N 1 2 340.387 0.360 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(CCC)on2)[C@@H](n2ccnn2)C1 ZINC001070069541 790502355 /nfs/dbraw/zinc/50/23/55/790502355.db2.gz MCEVAEPIDBRQPC-CVEARBPZSA-N 1 2 342.403 0.897 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(CCC)on2)[C@@H](n2ccnn2)C1 ZINC001070069541 790502363 /nfs/dbraw/zinc/50/23/63/790502363.db2.gz MCEVAEPIDBRQPC-CVEARBPZSA-N 1 2 342.403 0.897 20 30 ECEDLO CCN(C(=O)Cn1cc[nH+]c1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001080031885 777269146 /nfs/dbraw/zinc/26/91/46/777269146.db2.gz JPWAISRXOAROGV-UHFFFAOYSA-N 1 2 326.360 0.456 20 30 ECEDLO C#CCCCCC(=O)NC1(CNC(=O)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001070082124 790541034 /nfs/dbraw/zinc/54/10/34/790541034.db2.gz YYGHXXQVPAXQJC-UHFFFAOYSA-N 1 2 346.431 0.927 20 30 ECEDLO CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001080418809 777823835 /nfs/dbraw/zinc/82/38/35/777823835.db2.gz ZWQPXMTWADBZNQ-BBRMVZONSA-N 1 2 348.447 0.316 20 30 ECEDLO Cc1cc(C#N)nc(N[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)n1 ZINC001043251114 778047443 /nfs/dbraw/zinc/04/74/43/778047443.db2.gz KSHVFDIWPFRQNP-IAQYHMDHSA-N 1 2 339.403 0.892 20 30 ECEDLO C=CCOCC(=O)N1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001080573285 778064351 /nfs/dbraw/zinc/06/43/51/778064351.db2.gz FNMNMCKPBDCCRR-HUUCEWRRSA-N 1 2 346.431 0.786 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cncnc2CC)[C@@H](n2ccnn2)C1 ZINC001070097465 790595578 /nfs/dbraw/zinc/59/55/78/790595578.db2.gz UFNLOSNKOWLKPC-CABCVRRESA-N 1 2 327.392 0.472 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cncnc2CC)[C@@H](n2ccnn2)C1 ZINC001070097465 790595587 /nfs/dbraw/zinc/59/55/87/790595587.db2.gz UFNLOSNKOWLKPC-CABCVRRESA-N 1 2 327.392 0.472 20 30 ECEDLO C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001043523985 778461823 /nfs/dbraw/zinc/46/18/23/778461823.db2.gz CRXNBLQGTAAQIE-UHFFFAOYSA-N 1 2 346.431 0.800 20 30 ECEDLO C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001043523985 778461827 /nfs/dbraw/zinc/46/18/27/778461827.db2.gz CRXNBLQGTAAQIE-UHFFFAOYSA-N 1 2 346.431 0.800 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001043525990 778469082 /nfs/dbraw/zinc/46/90/82/778469082.db2.gz STCCKEVIJQPJJW-UHFFFAOYSA-N 1 2 332.404 0.388 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001043525990 778469085 /nfs/dbraw/zinc/46/90/85/778469085.db2.gz STCCKEVIJQPJJW-UHFFFAOYSA-N 1 2 332.404 0.388 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NCC1(NC(=O)C#CC(C)C)CCOCC1 ZINC001070108487 790630373 /nfs/dbraw/zinc/63/03/73/790630373.db2.gz DZRGDPIHSZEUIL-UHFFFAOYSA-N 1 2 346.431 0.702 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1Nc1ccc(C#N)nn1 ZINC001043646229 778659411 /nfs/dbraw/zinc/65/94/11/778659411.db2.gz PAUKQKBJDUULQN-TZMCWYRMSA-N 1 2 339.403 0.973 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CCCCCC)C1 ZINC001043649591 778666589 /nfs/dbraw/zinc/66/65/89/778666589.db2.gz OOPPQLLCHZKQKB-INIZCTEOSA-N 1 2 349.475 0.744 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CCCCCC)C1 ZINC001043649591 778666593 /nfs/dbraw/zinc/66/65/93/778666593.db2.gz OOPPQLLCHZKQKB-INIZCTEOSA-N 1 2 349.475 0.744 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C(C)(CC)CC)C1 ZINC001043650295 778667245 /nfs/dbraw/zinc/66/72/45/778667245.db2.gz VDEYJMVPNRPXRT-HNNXBMFYSA-N 1 2 349.475 0.600 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C(C)(CC)CC)C1 ZINC001043650295 778667248 /nfs/dbraw/zinc/66/72/48/778667248.db2.gz VDEYJMVPNRPXRT-HNNXBMFYSA-N 1 2 349.475 0.600 20 30 ECEDLO CC#CCCCC(=O)N1CC(O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001043700794 778743001 /nfs/dbraw/zinc/74/30/01/778743001.db2.gz VVNHXTRDFGJMRK-UHFFFAOYSA-N 1 2 346.431 0.546 20 30 ECEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)O1 ZINC001068620765 790730387 /nfs/dbraw/zinc/73/03/87/790730387.db2.gz RGFCESUTWSGWOS-JSGCOSHPSA-N 1 2 345.403 0.378 20 30 ECEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)O1 ZINC001068620765 790730395 /nfs/dbraw/zinc/73/03/95/790730395.db2.gz RGFCESUTWSGWOS-JSGCOSHPSA-N 1 2 345.403 0.378 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001078962580 780656693 /nfs/dbraw/zinc/65/66/93/780656693.db2.gz TYDZNWAXYNQMAA-CABCVRRESA-N 1 2 346.431 0.830 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2n[nH]nc2C)C1 ZINC001079141792 780807096 /nfs/dbraw/zinc/80/70/96/780807096.db2.gz YXNMLKKENUUZPA-HZPDHXFCSA-N 1 2 339.399 0.434 20 30 ECEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2n[nH]nc2C)C1 ZINC001079141792 780807106 /nfs/dbraw/zinc/80/71/06/780807106.db2.gz YXNMLKKENUUZPA-HZPDHXFCSA-N 1 2 339.399 0.434 20 30 ECEDLO CO[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001042852075 780945456 /nfs/dbraw/zinc/94/54/56/780945456.db2.gz HRWUFRRPIKUKEP-CHWSQXEVSA-N 1 2 346.416 0.540 20 30 ECEDLO CO[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001042987544 781142860 /nfs/dbraw/zinc/14/28/60/781142860.db2.gz UULDIDFXKSVAMC-ZIAGYGMSSA-N 1 2 344.350 0.378 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001079558797 781262672 /nfs/dbraw/zinc/26/26/72/781262672.db2.gz LZYIZHUDPGPQER-YUSALJHKSA-N 1 2 344.253 0.858 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001079558797 781262673 /nfs/dbraw/zinc/26/26/73/781262673.db2.gz LZYIZHUDPGPQER-YUSALJHKSA-N 1 2 344.253 0.858 20 30 ECEDLO CC#CCCCC(=O)N1CC(O)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001043082636 781294106 /nfs/dbraw/zinc/29/41/06/781294106.db2.gz SFPFHIXOUUPRFA-HNNXBMFYSA-N 1 2 346.431 0.717 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C)CC=CC3)C2)C1=O ZINC001077623729 781370733 /nfs/dbraw/zinc/37/07/33/781370733.db2.gz ZLWDYYXQYGCEPE-RBSFLKMASA-N 1 2 333.432 0.291 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C)CC=CC3)C2)C1=O ZINC001077623729 781370748 /nfs/dbraw/zinc/37/07/48/781370748.db2.gz ZLWDYYXQYGCEPE-RBSFLKMASA-N 1 2 333.432 0.291 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]2O)CC1 ZINC001077625270 781374859 /nfs/dbraw/zinc/37/48/59/781374859.db2.gz ZEMKCJMXDLOLLK-BRWVUGGUSA-N 1 2 349.475 0.903 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C(C)C)C3=O)C[C@H]2O)CC1 ZINC001077625270 781374868 /nfs/dbraw/zinc/37/48/68/781374868.db2.gz ZEMKCJMXDLOLLK-BRWVUGGUSA-N 1 2 349.475 0.903 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]2O)CC1 ZINC001077626019 781377290 /nfs/dbraw/zinc/37/72/90/781377290.db2.gz QCXFMKTUVCASTR-APHBMKBZSA-N 1 2 335.448 0.561 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]2O)CC1 ZINC001077626019 781377295 /nfs/dbraw/zinc/37/72/95/781377295.db2.gz QCXFMKTUVCASTR-APHBMKBZSA-N 1 2 335.448 0.561 20 30 ECEDLO 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C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2c[nH]nc2CC)CC1 ZINC001070976589 784293101 /nfs/dbraw/zinc/29/31/01/784293101.db2.gz JALPSWRCAGIVKH-UHFFFAOYSA-N 1 2 333.436 0.812 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)c2cccc3ncnn32)CC1 ZINC001070978965 784301083 /nfs/dbraw/zinc/30/10/83/784301083.db2.gz LVJVUCDVWSLBTF-UHFFFAOYSA-N 1 2 342.403 0.179 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)c2cccc3ncnn32)CC1 ZINC001070978965 784301091 /nfs/dbraw/zinc/30/10/91/784301091.db2.gz LVJVUCDVWSLBTF-UHFFFAOYSA-N 1 2 342.403 0.179 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(CCC)n[nH]2)CC1 ZINC001070983752 784319280 /nfs/dbraw/zinc/31/92/80/784319280.db2.gz DOZIFHHARLVVOC-UHFFFAOYSA-N 1 2 345.447 0.650 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(CCC)n[nH]2)CC1 ZINC001070983752 784319285 /nfs/dbraw/zinc/31/92/85/784319285.db2.gz DOZIFHHARLVVOC-UHFFFAOYSA-N 1 2 345.447 0.650 20 30 ECEDLO C=C(C)CN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001070580328 784322195 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786805855 /nfs/dbraw/zinc/80/58/55/786805855.db2.gz TVAUXDKLJWJXCS-DLBZAZTESA-N 1 2 330.432 0.771 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3cnn(CC)c3)C[C@@H]21 ZINC001074380743 786805867 /nfs/dbraw/zinc/80/58/67/786805867.db2.gz TVAUXDKLJWJXCS-DLBZAZTESA-N 1 2 330.432 0.771 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3cnn(C)c3)C[C@@H]21 ZINC001074415460 786912399 /nfs/dbraw/zinc/91/23/99/786912399.db2.gz QPWMDCBBDPHFOV-DLBZAZTESA-N 1 2 330.432 0.678 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3cnn(C)c3)C[C@@H]21 ZINC001074415460 786912403 /nfs/dbraw/zinc/91/24/03/786912403.db2.gz QPWMDCBBDPHFOV-DLBZAZTESA-N 1 2 330.432 0.678 20 30 ECEDLO C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001073684296 786964599 /nfs/dbraw/zinc/96/45/99/786964599.db2.gz NIZWATFRXDTLBB-ZIAGYGMSSA-N 1 2 330.450 0.204 20 30 ECEDLO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001073684296 786964604 /nfs/dbraw/zinc/96/46/04/786964604.db2.gz NIZWATFRXDTLBB-ZIAGYGMSSA-N 1 2 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ZINC001074148795 787942350 /nfs/dbraw/zinc/94/23/50/787942350.db2.gz AVUKBEHJJODMHA-RYUDHWBXSA-N 1 2 335.433 0.562 20 30 ECEDLO Cc1nonc1C[N@@H+]1CCC2(CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001072632772 788472606 /nfs/dbraw/zinc/47/26/06/788472606.db2.gz CGGOZIQJIMSMQZ-UHFFFAOYSA-N 1 2 326.360 0.926 20 30 ECEDLO Cc1nonc1C[N@H+]1CCC2(CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001072632772 788472611 /nfs/dbraw/zinc/47/26/11/788472611.db2.gz CGGOZIQJIMSMQZ-UHFFFAOYSA-N 1 2 326.360 0.926 20 30 ECEDLO Cn1cnnc1C[N@@H+]1CCC2(CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001072633186 788473001 /nfs/dbraw/zinc/47/30/01/788473001.db2.gz IBTZWKCXNSZXDX-UHFFFAOYSA-N 1 2 325.376 0.363 20 30 ECEDLO Cn1cnnc1C[N@H+]1CCC2(CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001072633186 788473007 /nfs/dbraw/zinc/47/30/07/788473007.db2.gz IBTZWKCXNSZXDX-UHFFFAOYSA-N 1 2 325.376 0.363 20 30 ECEDLO CCn1ncc(C[N@@H+]2CCC3(CN(C(=O)c4ccc(C#N)[nH]4)C3)C2)n1 ZINC001072635898 788477766 /nfs/dbraw/zinc/47/77/66/788477766.db2.gz YZKVYRLMFLLQRF-UHFFFAOYSA-N 1 2 339.403 0.846 20 30 ECEDLO CCn1ncc(C[N@H+]2CCC3(CN(C(=O)c4ccc(C#N)[nH]4)C3)C2)n1 ZINC001072635898 788477774 /nfs/dbraw/zinc/47/77/74/788477774.db2.gz YZKVYRLMFLLQRF-UHFFFAOYSA-N 1 2 339.403 0.846 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001074991332 788679403 /nfs/dbraw/zinc/67/94/03/788679403.db2.gz SPHQFFPCRRJXBM-ZIAGYGMSSA-N 1 2 332.404 0.488 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CCC(C)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001072985417 789224643 /nfs/dbraw/zinc/22/46/43/789224643.db2.gz KAVHJNHUXDJAGJ-QGZVFWFLSA-N 1 2 334.420 0.777 20 30 ECEDLO CC#CC[N@@H+]1CCC2(CN(C(=O)c3cn[nH]c3-c3cnn(C)c3)C2)C1 ZINC001073112349 789462183 /nfs/dbraw/zinc/46/21/83/789462183.db2.gz YKLVGLFWMNQRKL-UHFFFAOYSA-N 1 2 338.415 0.981 20 30 ECEDLO CC#CC[N@H+]1CCC2(CN(C(=O)c3cn[nH]c3-c3cnn(C)c3)C2)C1 ZINC001073112349 789462188 /nfs/dbraw/zinc/46/21/88/789462188.db2.gz YKLVGLFWMNQRKL-UHFFFAOYSA-N 1 2 338.415 0.981 20 30 ECEDLO C=CCO[C@@H](C)C(=O)NC1(C)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001073129618 789493139 /nfs/dbraw/zinc/49/31/39/789493139.db2.gz FTDIKOPVKXMYRZ-AWEZNQCLSA-N 1 2 334.420 0.972 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC(C)(NC(=O)CSCC#N)CC1 ZINC001073164473 789555599 /nfs/dbraw/zinc/55/55/99/789555599.db2.gz AANFCQMTLDPIAT-UHFFFAOYSA-N 1 2 349.460 0.717 20 30 ECEDLO N#Cc1cncc(N2CC[C@@]3(NC(=O)Cc4[nH]cc[nH+]4)CCC[C@@H]23)n1 ZINC001069271952 789723596 /nfs/dbraw/zinc/72/35/96/789723596.db2.gz YBEYQOVKRMGVTF-DYVFJYSZSA-N 1 2 337.387 0.932 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCCN1c1ccnc(C#N)n1 ZINC001069375096 789782748 /nfs/dbraw/zinc/78/27/48/789782748.db2.gz DARWPRDWSLJZGT-JSGCOSHPSA-N 1 2 339.403 0.798 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)Cn3cncn3)C2)C1 ZINC001073408362 789797256 /nfs/dbraw/zinc/79/72/56/789797256.db2.gz OTIKXQSCIRERKD-UHFFFAOYSA-N 1 2 340.225 0.721 20 30 ECEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)Cn3cncn3)C2)C1 ZINC001073408362 789797261 /nfs/dbraw/zinc/79/72/61/789797261.db2.gz OTIKXQSCIRERKD-UHFFFAOYSA-N 1 2 340.225 0.721 20 30 ECEDLO N#Cc1ccc(NC[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001069476284 789851219 /nfs/dbraw/zinc/85/12/19/789851219.db2.gz SXRPQTDGVLHRED-OLZOCXBDSA-N 1 2 325.376 0.942 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC001073473351 789877212 /nfs/dbraw/zinc/87/72/12/789877212.db2.gz YTBMEJPVOQZUJM-ZIAGYGMSSA-N 1 2 346.431 0.734 20 30 ECEDLO CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1Nc1ccnc(C#N)n1 ZINC001069583819 789918879 /nfs/dbraw/zinc/91/88/79/789918879.db2.gz OLNWYGNZSZHCEJ-LLVKDONJSA-N 1 2 325.376 0.385 20 30 ECEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC(Nc2ccnc(C#N)n2)C1 ZINC001069801481 790041091 /nfs/dbraw/zinc/04/10/91/790041091.db2.gz FUFZPYJFBBTVIB-FIYWTHMPSA-N 1 2 337.387 0.698 20 30 ECEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC(Nc2ccnc(C#N)n2)C1 ZINC001069801481 790041096 /nfs/dbraw/zinc/04/10/96/790041096.db2.gz FUFZPYJFBBTVIB-FIYWTHMPSA-N 1 2 337.387 0.698 20 30 ECEDLO C#CCN1CCn2ncc(CNC(=O)[C@H]3CCCc4[nH+]c[nH]c43)c2C1 ZINC001069872871 790134555 /nfs/dbraw/zinc/13/45/55/790134555.db2.gz GVHFWTNQRSSARX-AWEZNQCLSA-N 1 2 338.415 0.791 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCOCC2)[C@@H](n2ccnn2)C1 ZINC001069916229 790185895 /nfs/dbraw/zinc/18/58/95/790185895.db2.gz LKMUZMFYZATZQO-OAGGEKHMSA-N 1 2 331.420 0.460 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCOCC2)[C@@H](n2ccnn2)C1 ZINC001069916229 790185899 /nfs/dbraw/zinc/18/58/99/790185899.db2.gz LKMUZMFYZATZQO-OAGGEKHMSA-N 1 2 331.420 0.460 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)sn2)[C@@H](n2ccnn2)C1 ZINC001069917098 790186694 /nfs/dbraw/zinc/18/66/94/790186694.db2.gz AZBQFQPTVKOEDG-KGLIPLIRSA-N 1 2 330.417 0.722 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)sn2)[C@@H](n2ccnn2)C1 ZINC001069917098 790186696 /nfs/dbraw/zinc/18/66/96/790186696.db2.gz AZBQFQPTVKOEDG-KGLIPLIRSA-N 1 2 330.417 0.722 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)n(C(F)F)n2)[C@@H](n2ccnn2)C1 ZINC001069939129 790213686 /nfs/dbraw/zinc/21/36/86/790213686.db2.gz ZESFQKUUDWWNRQ-OLZOCXBDSA-N 1 2 349.345 0.467 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)n(C(F)F)n2)[C@@H](n2ccnn2)C1 ZINC001069939129 790213690 /nfs/dbraw/zinc/21/36/90/790213690.db2.gz ZESFQKUUDWWNRQ-OLZOCXBDSA-N 1 2 349.345 0.467 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnn3c2OCCC3)[C@@H](n2ccnn2)C1 ZINC001069969473 790257715 /nfs/dbraw/zinc/25/77/15/790257715.db2.gz XTEUPQPEUVLRJZ-KGLIPLIRSA-N 1 2 343.391 0.098 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cnn3c2OCCC3)[C@@H](n2ccnn2)C1 ZINC001069969473 790257717 /nfs/dbraw/zinc/25/77/17/790257717.db2.gz XTEUPQPEUVLRJZ-KGLIPLIRSA-N 1 2 343.391 0.098 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1COC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001068822023 791199688 /nfs/dbraw/zinc/19/96/88/791199688.db2.gz SYYPTQJQHJHCJV-HNNXBMFYSA-N 1 2 344.415 0.632 20 30 ECEDLO C=CCO[C@H](C)C(=O)N[C@H]1COC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001068910049 791396465 /nfs/dbraw/zinc/39/64/65/791396465.db2.gz DDIVPFCMHYUITE-CHWSQXEVSA-N 1 2 348.403 0.029 20 30 ECEDLO C[C@@H]1C[C@H](Nc2ccnc(C#N)n2)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001069080708 791685695 /nfs/dbraw/zinc/68/56/95/791685695.db2.gz XRLZAQRAVCFUEQ-NEPJUHHUSA-N 1 2 325.376 0.527 20 30 ECEDLO C[C@H]1C[C@@H](Nc2ccnc(C#N)n2)CN1C(=O)CCn1cc[nH+]c1 ZINC001069180057 791763153 /nfs/dbraw/zinc/76/31/53/791763153.db2.gz CWZCXAQSOBEXLH-QWHCGFSZSA-N 1 2 325.376 0.458 20 30 ECEDLO Cc1ccc(C#N)c(NC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CCO2)n1 ZINC001066680277 791975764 /nfs/dbraw/zinc/97/57/64/791975764.db2.gz INLYRTGYGKUMFM-HNNXBMFYSA-N 1 2 340.387 0.867 20 30 ECEDLO N#Cc1cccnc1NC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001066681449 791977834 /nfs/dbraw/zinc/97/78/34/791977834.db2.gz ZHLNDFCAMGGLFA-AWEZNQCLSA-N 1 2 326.360 0.558 20 30 ECEDLO CC(C)(F)C(=O)N1CC[C@H]([NH+]2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001066697064 792013980 /nfs/dbraw/zinc/01/39/80/792013980.db2.gz YBVQTLUTEHZFKY-ZDUSSCGKSA-N 1 2 346.410 0.819 20 30 ECEDLO Cc1ccnc(N2CC[NH+]([C@@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)n1 ZINC001066698910 792020826 /nfs/dbraw/zinc/02/08/26/792020826.db2.gz PHZQMGHTMCOYGH-UKRRQHHQSA-N 1 2 328.420 0.668 20 30 ECEDLO Cc1nccc(N2CC[NH+]([C@@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)n1 ZINC001066699135 792022065 /nfs/dbraw/zinc/02/20/65/792022065.db2.gz SADNLZOQBPBYJG-DZGCQCFKSA-N 1 2 328.420 0.668 20 30 ECEDLO CC[C@H](F)C(=O)N1CC[C@@H]([NH+]2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001066700336 792026863 /nfs/dbraw/zinc/02/68/63/792026863.db2.gz JIQKTXSKMMXBLU-CABCVRRESA-N 1 2 346.410 0.819 20 30 ECEDLO C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001067705330 792160820 /nfs/dbraw/zinc/16/08/20/792160820.db2.gz VZKPFKPPQRARRS-KGLIPLIRSA-N 1 2 331.420 0.912 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1)c1ccc(C#N)nc1 ZINC001067748529 792220225 /nfs/dbraw/zinc/22/02/25/792220225.db2.gz ADHSJECOQHPALS-IAGOWNOFSA-N 1 2 343.431 0.711 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1)c1ccc(C#N)nc1 ZINC001067748529 792220231 /nfs/dbraw/zinc/22/02/31/792220231.db2.gz ADHSJECOQHPALS-IAGOWNOFSA-N 1 2 343.431 0.711 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1)c1ccc(C#N)nn1 ZINC001067749533 792223837 /nfs/dbraw/zinc/22/38/37/792223837.db2.gz STFVEZSNYFUKPI-GJZGRUSLSA-N 1 2 344.419 0.106 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccc(C#N)nn1 ZINC001067749533 792223848 /nfs/dbraw/zinc/22/38/48/792223848.db2.gz STFVEZSNYFUKPI-GJZGRUSLSA-N 1 2 344.419 0.106 20 30 ECEDLO Cc1cc(C#N)nc(N(C)C[C@H]2CCCN2C(=O)Cn2cc[nH+]c2)n1 ZINC001067765587 792251347 /nfs/dbraw/zinc/25/13/47/792251347.db2.gz QOUIDCVDMWWGOZ-OAHLLOKOSA-N 1 2 339.403 0.981 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)CC[C@H]1C ZINC001067963897 792513606 /nfs/dbraw/zinc/51/36/06/792513606.db2.gz WAOQITKUAHNCHV-IAQYHMDHSA-N 1 2 339.403 0.954 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CN(c2nccnc2C#N)CC[C@@H]1C ZINC001067963894 792514067 /nfs/dbraw/zinc/51/40/67/792514067.db2.gz WAMOQEUYWVOSSN-NHYWBVRUSA-N 1 2 339.403 0.954 20 30 ECEDLO C[C@@H]1CCN(c2cncc(C#N)n2)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067967122 792521352 /nfs/dbraw/zinc/52/13/52/792521352.db2.gz KBWIEJBPLUOVDD-YPMHNXCESA-N 1 2 325.376 0.645 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[C@@H](C)[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001067994339 792554720 /nfs/dbraw/zinc/55/47/20/792554720.db2.gz UIACBAFPKDSQLK-ABAIWWIYSA-N 1 2 339.403 0.954 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1Nc1ccc(C#N)nn1 ZINC001067084828 792683021 /nfs/dbraw/zinc/68/30/21/792683021.db2.gz QKKQEWJGFKOAEI-AAEUAGOBSA-N 1 2 325.376 0.963 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)CC1(C)C ZINC001068117221 792700061 /nfs/dbraw/zinc/70/00/61/792700061.db2.gz PVKDPGBHSVPPAH-CQSZACIVSA-N 1 2 339.403 0.655 20 30 ECEDLO C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1Nc1ccnc(C#N)n1 ZINC001067123139 792721292 /nfs/dbraw/zinc/72/12/92/792721292.db2.gz QQTWEMHMTTXMCE-NWDGAFQWSA-N 1 2 339.403 0.730 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1Nc1nccnc1C#N ZINC001067128326 792729501 /nfs/dbraw/zinc/72/95/01/792729501.db2.gz BOSBKLSEOYMCGM-DOMZBBRYSA-N 1 2 339.403 0.973 20 30 ECEDLO N#Cc1nccnc1N1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001068207597 792828210 /nfs/dbraw/zinc/82/82/10/792828210.db2.gz TYPHQPWDIDVWCL-KSTCHIGDSA-N 1 2 349.398 0.673 20 30 ECEDLO N#Cc1nccnc1N1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001068207597 792828224 /nfs/dbraw/zinc/82/82/24/792828224.db2.gz TYPHQPWDIDVWCL-KSTCHIGDSA-N 1 2 349.398 0.673 20 30 ECEDLO C[C@@H](Nc1ccncc1C#N)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001068235315 792889509 /nfs/dbraw/zinc/88/95/09/792889509.db2.gz RRXDGXSGLQDEEG-CZUORRHYSA-N 1 2 340.387 0.300 20 30 ECEDLO C[C@H](Nc1cnc(C#N)cn1)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001068237561 792902373 /nfs/dbraw/zinc/90/23/73/792902373.db2.gz YTOBRRQJTKBVEB-AAEUAGOBSA-N 1 2 341.375 0.342 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N(C)CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001067292859 792945839 /nfs/dbraw/zinc/94/58/39/792945839.db2.gz ZUPZFHAWYCWNJG-KRWDZBQOSA-N 1 2 336.436 0.597 20 30 ECEDLO C[C@@H]1C[C@@H](CNc2cncc(C#N)n2)CN1C(=O)Cn1cc[nH+]c1 ZINC001068335664 793069416 /nfs/dbraw/zinc/06/94/16/793069416.db2.gz NXJVNSVXVUMAEG-OLZOCXBDSA-N 1 2 325.376 0.894 20 30 ECEDLO C[C@@H]1CN(c2ccnc(C#N)n2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067403654 793105906 /nfs/dbraw/zinc/10/59/06/793105906.db2.gz QANIJGAKEBNYAJ-CHWSQXEVSA-N 1 2 325.376 0.576 20 30 ECEDLO C[C@H]1C[C@@H](CNc2ccnc(C#N)n2)CN1C(=O)CCn1cc[nH+]c1 ZINC001068362862 793127825 /nfs/dbraw/zinc/12/78/25/793127825.db2.gz YYTGOPBBQNABFZ-KBPBESRZSA-N 1 2 339.403 0.706 20 30 ECEDLO C#CCCCCC(=O)N1CC2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)CCO2 ZINC001068442901 793322512 /nfs/dbraw/zinc/32/25/12/793322512.db2.gz ZCVYPUHFWPCACH-UHFFFAOYSA-N 1 2 344.415 0.586 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cncc(F)c2)C1 ZINC001267454122 837436821 /nfs/dbraw/zinc/43/68/21/837436821.db2.gz LLYLJNRLMUZWCZ-INIZCTEOSA-N 1 2 346.406 0.897 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cncc(F)c2)C1 ZINC001267454122 837436823 /nfs/dbraw/zinc/43/68/23/837436823.db2.gz LLYLJNRLMUZWCZ-INIZCTEOSA-N 1 2 346.406 0.897 20 30 ECEDLO CCCN(C(=O)Cc1cnc(C)o1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267542198 837729259 /nfs/dbraw/zinc/72/92/59/837729259.db2.gz QXBBHKUBZXTFGF-AWEZNQCLSA-N 1 2 347.419 0.478 20 30 ECEDLO CCCN(C(=O)Cc1cnc(C)o1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267542198 837729268 /nfs/dbraw/zinc/72/92/68/837729268.db2.gz QXBBHKUBZXTFGF-AWEZNQCLSA-N 1 2 347.419 0.478 20 30 ECEDLO C#CCN1CC[NH+](CCN(C)C(=O)c2ccc3c(c2)nnn3C)CC1 ZINC001267573064 837812666 /nfs/dbraw/zinc/81/26/66/837812666.db2.gz HOVHUIYCGFXSFM-UHFFFAOYSA-N 1 2 340.431 0.291 20 30 ECEDLO C#CCN1CC[NH+](CCN(C)C(=O)c2ccc3cc[nH]c3n2)CC1 ZINC001267573692 837816335 /nfs/dbraw/zinc/81/63/35/837816335.db2.gz XJFMZYOLHVWVLL-UHFFFAOYSA-N 1 2 325.416 0.886 20 30 ECEDLO C=CC(C)(C)C(=O)N(C)CCN1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001267574969 837824336 /nfs/dbraw/zinc/82/43/36/837824336.db2.gz YOSUKUYNMQFPHO-OAHLLOKOSA-N 1 2 336.480 0.505 20 30 ECEDLO C=CC(C)(C)CC(=O)NCCN1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001266285819 835621396 /nfs/dbraw/zinc/62/13/96/835621396.db2.gz OKMCJIHRVSCHLQ-HNNXBMFYSA-N 1 2 336.480 0.553 20 30 ECEDLO CC#CCN1CC[NH+](CCNC(=O)[C@H](C)NC(=O)C(C)(C)C)CC1 ZINC001266289907 835633443 /nfs/dbraw/zinc/63/34/43/835633443.db2.gz HARVWONLTHHCTB-HNNXBMFYSA-N 1 2 336.480 0.294 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1coc(C(F)(F)F)n1 ZINC001266293431 835639167 /nfs/dbraw/zinc/63/91/67/835639167.db2.gz XTQYFUULKNHJMF-UHFFFAOYSA-N 1 2 334.298 0.657 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1coc(C(F)(F)F)n1 ZINC001266293431 835639170 /nfs/dbraw/zinc/63/91/70/835639170.db2.gz XTQYFUULKNHJMF-UHFFFAOYSA-N 1 2 334.298 0.657 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(CCNC(=O)[C@H](C)C(C)C)CC1 ZINC001266294697 835640914 /nfs/dbraw/zinc/64/09/14/835640914.db2.gz HWFLSMLVQDSGHF-CVEARBPZSA-N 1 2 338.496 0.703 20 30 ECEDLO N#CCN1CC[NH+](CCNC(=O)C[C@H]2NC(=O)c3ccccc32)CC1 ZINC001266294827 835641415 /nfs/dbraw/zinc/64/14/15/835641415.db2.gz MMXIITNJSHZTGV-MRXNPFEDSA-N 1 2 341.415 0.119 20 30 ECEDLO N#CCN1CC[NH+](CCNC(=O)C[C@@H]2NC(=O)c3ccccc32)CC1 ZINC001266294826 835641680 /nfs/dbraw/zinc/64/16/80/835641680.db2.gz MMXIITNJSHZTGV-INIZCTEOSA-N 1 2 341.415 0.119 20 30 ECEDLO C[N@H+](CCNC(=O)[C@@H]1COc2ccc(F)cc2C1)CC(=O)NCC#N ZINC001266297343 835646938 /nfs/dbraw/zinc/64/69/38/835646938.db2.gz LQUUIYIUOVLBGE-ZDUSSCGKSA-N 1 2 348.378 0.065 20 30 ECEDLO C[N@@H+](CCNC(=O)[C@@H]1COc2ccc(F)cc2C1)CC(=O)NCC#N ZINC001266297343 835646942 /nfs/dbraw/zinc/64/69/42/835646942.db2.gz LQUUIYIUOVLBGE-ZDUSSCGKSA-N 1 2 348.378 0.065 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnccn2)C1 ZINC001266299124 835655828 /nfs/dbraw/zinc/65/58/28/835655828.db2.gz NGEYKXFKTNQNHY-CQSZACIVSA-N 1 2 331.420 0.705 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnccn2)C1 ZINC001266299124 835655836 /nfs/dbraw/zinc/65/58/36/835655836.db2.gz NGEYKXFKTNQNHY-CQSZACIVSA-N 1 2 331.420 0.705 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cn3ccc(C)cc3n2)C1 ZINC001266327545 835708278 /nfs/dbraw/zinc/70/82/78/835708278.db2.gz HJLWXEGJUDIPIJ-CQSZACIVSA-N 1 2 341.415 0.749 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cn3ccc(C)cc3n2)C1 ZINC001266327545 835708282 /nfs/dbraw/zinc/70/82/82/835708282.db2.gz HJLWXEGJUDIPIJ-CQSZACIVSA-N 1 2 341.415 0.749 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nc(C)n3ccccc23)C1 ZINC001266331107 835711700 /nfs/dbraw/zinc/71/17/00/835711700.db2.gz MEANPEZDPTWLTE-CQSZACIVSA-N 1 2 341.415 0.749 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nc(C)n3ccccc23)C1 ZINC001266331107 835711705 /nfs/dbraw/zinc/71/17/05/835711705.db2.gz MEANPEZDPTWLTE-CQSZACIVSA-N 1 2 341.415 0.749 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@H](C=C)CC)C1 ZINC001266336150 835719748 /nfs/dbraw/zinc/71/97/48/835719748.db2.gz KPIOWKJTINBPGN-ZIAGYGMSSA-N 1 2 336.436 0.791 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@H](C=C)CC)C1 ZINC001266336150 835719756 /nfs/dbraw/zinc/71/97/56/835719756.db2.gz KPIOWKJTINBPGN-ZIAGYGMSSA-N 1 2 336.436 0.791 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(=O)NC3CC3)C2)CC1 ZINC001266339397 835724542 /nfs/dbraw/zinc/72/45/42/835724542.db2.gz POSMYXJMVFUBIG-OAHLLOKOSA-N 1 2 348.447 0.912 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(=O)NC3CC3)C2)CC1 ZINC001266339397 835724545 /nfs/dbraw/zinc/72/45/45/835724545.db2.gz POSMYXJMVFUBIG-OAHLLOKOSA-N 1 2 348.447 0.912 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001266339817 835724899 /nfs/dbraw/zinc/72/48/99/835724899.db2.gz YOSIRXBYVCJNOY-CQSZACIVSA-N 1 2 325.372 0.116 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001266339817 835724904 /nfs/dbraw/zinc/72/49/04/835724904.db2.gz YOSIRXBYVCJNOY-CQSZACIVSA-N 1 2 325.372 0.116 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncn(C(C)(C)C)n2)C1 ZINC001266341295 835726851 /nfs/dbraw/zinc/72/68/51/835726851.db2.gz DUCANJLXIGPECS-LBPRGKRZSA-N 1 2 334.424 0.139 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncn(C(C)(C)C)n2)C1 ZINC001266341295 835726858 /nfs/dbraw/zinc/72/68/58/835726858.db2.gz DUCANJLXIGPECS-LBPRGKRZSA-N 1 2 334.424 0.139 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001266341151 835727369 /nfs/dbraw/zinc/72/73/69/835727369.db2.gz AZZSBMFKIBHICG-KGLIPLIRSA-N 1 2 348.447 0.934 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001266341151 835727373 /nfs/dbraw/zinc/72/73/73/835727373.db2.gz AZZSBMFKIBHICG-KGLIPLIRSA-N 1 2 348.447 0.934 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cccc(OC)c2F)C1 ZINC001266347426 835739358 /nfs/dbraw/zinc/73/93/58/835739358.db2.gz OJSZRPUUSRZENU-LBPRGKRZSA-N 1 2 335.379 0.941 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccc(OC)c2F)C1 ZINC001266347426 835739368 /nfs/dbraw/zinc/73/93/68/835739368.db2.gz OJSZRPUUSRZENU-LBPRGKRZSA-N 1 2 335.379 0.941 20 30 ECEDLO C[N@H+](CCNC(=O)[C@H]1Cc2ccc(Cl)cc21)CC(=O)NCC#N ZINC001266354492 835757026 /nfs/dbraw/zinc/75/70/26/835757026.db2.gz AQJYQHYXGGKODN-AWEZNQCLSA-N 1 2 334.807 0.667 20 30 ECEDLO C[N@@H+](CCNC(=O)[C@H]1Cc2ccc(Cl)cc21)CC(=O)NCC#N ZINC001266354492 835757034 /nfs/dbraw/zinc/75/70/34/835757034.db2.gz AQJYQHYXGGKODN-AWEZNQCLSA-N 1 2 334.807 0.667 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)OCCO3)C1 ZINC001266359437 835768565 /nfs/dbraw/zinc/76/85/65/835768565.db2.gz VJUBREZSNNICRA-AWEZNQCLSA-N 1 2 343.383 0.011 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)OCCO3)C1 ZINC001266359437 835768576 /nfs/dbraw/zinc/76/85/76/835768576.db2.gz VJUBREZSNNICRA-AWEZNQCLSA-N 1 2 343.383 0.011 20 30 ECEDLO Cc1cc2c(cc1C)O[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NCC#N)C2 ZINC001266360131 835769869 /nfs/dbraw/zinc/76/98/69/835769869.db2.gz RPHJHKMYZZWGBU-MRXNPFEDSA-N 1 2 344.415 0.295 20 30 ECEDLO Cc1cc2c(cc1C)O[C@@H](C(=O)NCC[N@H+](C)CC(=O)NCC#N)C2 ZINC001266360131 835769878 /nfs/dbraw/zinc/76/98/78/835769878.db2.gz RPHJHKMYZZWGBU-MRXNPFEDSA-N 1 2 344.415 0.295 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)cc1F ZINC001266492358 835893054 /nfs/dbraw/zinc/89/30/54/835893054.db2.gz NNCKYGJUGSEDSG-GFCCVEGCSA-N 1 2 336.342 0.799 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)cc1F ZINC001266492358 835893059 /nfs/dbraw/zinc/89/30/59/835893059.db2.gz NNCKYGJUGSEDSG-GFCCVEGCSA-N 1 2 336.342 0.799 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cn[nH]c1 ZINC001266496431 835896366 /nfs/dbraw/zinc/89/63/66/835896366.db2.gz NAFYPMNGFDWVMT-BMFZPTHFSA-N 1 2 343.431 0.155 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cn[nH]c1 ZINC001266496431 835896373 /nfs/dbraw/zinc/89/63/73/835896373.db2.gz NAFYPMNGFDWVMT-BMFZPTHFSA-N 1 2 343.431 0.155 20 30 ECEDLO COCC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccc(C)cc1=O ZINC001266496561 835896806 /nfs/dbraw/zinc/89/68/06/835896806.db2.gz RBBNLLKIMNEIKA-CALCHBBNSA-N 1 2 343.427 0.482 20 30 ECEDLO COCC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccc(C)cc1=O ZINC001266496561 835896811 /nfs/dbraw/zinc/89/68/11/835896811.db2.gz RBBNLLKIMNEIKA-CALCHBBNSA-N 1 2 343.427 0.482 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2nc(CC(=O)NC)no2)C1 ZINC001266551968 835978197 /nfs/dbraw/zinc/97/81/97/835978197.db2.gz GLJQHEBTWBHCCX-LBPRGKRZSA-N 1 2 349.435 0.651 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)CC(C)(F)F)C1 ZINC001279509901 836289874 /nfs/dbraw/zinc/28/98/74/836289874.db2.gz PUQMNMMUDVIDID-OAHLLOKOSA-N 1 2 333.379 0.277 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)CC(C)(F)F)C1 ZINC001279509901 836289882 /nfs/dbraw/zinc/28/98/82/836289882.db2.gz PUQMNMMUDVIDID-OAHLLOKOSA-N 1 2 333.379 0.277 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001266839923 836367590 /nfs/dbraw/zinc/36/75/90/836367590.db2.gz LNGUJZIYMKOIRZ-AWEZNQCLSA-N 1 2 327.388 0.220 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001266839923 836367599 /nfs/dbraw/zinc/36/75/99/836367599.db2.gz LNGUJZIYMKOIRZ-AWEZNQCLSA-N 1 2 327.388 0.220 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CS(=O)(=O)CC ZINC001266889656 836438103 /nfs/dbraw/zinc/43/81/03/836438103.db2.gz KHZUXDQJKKPGFD-LSDHHAIUSA-N 1 2 326.462 0.900 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CS(=O)(=O)CC ZINC001266889656 836438108 /nfs/dbraw/zinc/43/81/08/836438108.db2.gz KHZUXDQJKKPGFD-LSDHHAIUSA-N 1 2 326.462 0.900 20 30 ECEDLO Cc1nc2cccc(C(=O)NC[C@H](C)[NH2+]CC(=O)NCC#N)c2[nH]1 ZINC001266984509 836565441 /nfs/dbraw/zinc/56/54/41/836565441.db2.gz VXQCDFRWMKOJMC-JTQLQIEISA-N 1 2 328.376 0.219 20 30 ECEDLO CN(CCNC(=O)c1ccc(C#N)[nH]1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001408551643 836613743 /nfs/dbraw/zinc/61/37/43/836613743.db2.gz YRVVVGZCNJJVQW-CHWSQXEVSA-N 1 2 340.387 0.612 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001299162592 836737656 /nfs/dbraw/zinc/73/76/56/836737656.db2.gz SLLLWIPIDDRUKD-CYBMUJFWSA-N 1 2 347.419 0.188 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C1(C(F)(F)F)CC1 ZINC001267275649 837118963 /nfs/dbraw/zinc/11/89/63/837118963.db2.gz HOLJLTIOBIWGMY-SNVBAGLBSA-N 1 2 332.326 0.549 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(C(F)(F)F)CC1 ZINC001267275649 837118966 /nfs/dbraw/zinc/11/89/66/837118966.db2.gz HOLJLTIOBIWGMY-SNVBAGLBSA-N 1 2 332.326 0.549 20 30 ECEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)C1(C(N)=O)CC1 ZINC001267317362 837193397 /nfs/dbraw/zinc/19/33/97/837193397.db2.gz XGGQDZPEBARPNY-UHFFFAOYSA-N 1 2 332.242 0.989 20 30 ECEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)C1(C(N)=O)CC1 ZINC001267317362 837193403 /nfs/dbraw/zinc/19/34/03/837193403.db2.gz XGGQDZPEBARPNY-UHFFFAOYSA-N 1 2 332.242 0.989 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C1CC1 ZINC001267401257 837342426 /nfs/dbraw/zinc/34/24/26/837342426.db2.gz MBRVGYOBFNOLQT-RVKKMQEKSA-N 1 2 335.448 0.610 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C1CC1 ZINC001267401257 837342435 /nfs/dbraw/zinc/34/24/35/837342435.db2.gz MBRVGYOBFNOLQT-RVKKMQEKSA-N 1 2 335.448 0.610 20 30 ECEDLO Cc1ccn2cnc(C(=O)N(C)CC[NH+]3CCN(CC#N)CC3)c2c1 ZINC001267608911 837964697 /nfs/dbraw/zinc/96/46/97/837964697.db2.gz HKBAJEGQYPNSPU-UHFFFAOYSA-N 1 2 340.431 0.856 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001267609717 837971608 /nfs/dbraw/zinc/97/16/08/837971608.db2.gz SRSBILMIRISZCL-UKRRQHHQSA-N 1 2 332.404 0.205 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001267609717 837971613 /nfs/dbraw/zinc/97/16/13/837971613.db2.gz SRSBILMIRISZCL-UKRRQHHQSA-N 1 2 332.404 0.205 20 30 ECEDLO CCOCCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001267614364 837989334 /nfs/dbraw/zinc/98/93/34/837989334.db2.gz HPWILMGKTALYCS-OAHLLOKOSA-N 1 2 337.464 0.769 20 30 ECEDLO CCOCCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001267614364 837989341 /nfs/dbraw/zinc/98/93/41/837989341.db2.gz HPWILMGKTALYCS-OAHLLOKOSA-N 1 2 337.464 0.769 20 30 ECEDLO CN(CC[NH+]1CCN(CC(=O)NCC#N)CC1)C(=O)CCC1(C)CC1 ZINC001267617362 838037089 /nfs/dbraw/zinc/03/70/89/838037089.db2.gz CKESEKBGAMFULG-UHFFFAOYSA-N 1 2 349.479 0.282 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)c2nn(C)cc2C)C1 ZINC001267624856 838072048 /nfs/dbraw/zinc/07/20/48/838072048.db2.gz PCVHKCFGEVNNQS-KBPBESRZSA-N 1 2 333.436 0.613 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2nn(C)cc2C)C1 ZINC001267624856 838072058 /nfs/dbraw/zinc/07/20/58/838072058.db2.gz PCVHKCFGEVNNQS-KBPBESRZSA-N 1 2 333.436 0.613 20 30 ECEDLO CC1CCN(C(=O)C[NH+]2CC(CNC(=O)CSCC#N)C2)CC1 ZINC001267674661 838221008 /nfs/dbraw/zinc/22/10/08/838221008.db2.gz SGIXRHGDGLURRJ-UHFFFAOYSA-N 1 2 338.477 0.550 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC(CNC(=O)C(C)(C)C=C)C1 ZINC001267687462 838254980 /nfs/dbraw/zinc/25/49/80/838254980.db2.gz FGTKZPHFOCLGPV-LBPRGKRZSA-N 1 2 336.436 0.647 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001267693718 838274080 /nfs/dbraw/zinc/27/40/80/838274080.db2.gz OHCQDJKLZZHMNS-CYBMUJFWSA-N 1 2 338.411 0.967 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2ccnc(C3CC3)n2)C1 ZINC001267693998 838276111 /nfs/dbraw/zinc/27/61/11/838276111.db2.gz XTAIOJIZDVLMNX-GFCCVEGCSA-N 1 2 343.431 0.706 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC001267700409 838297374 /nfs/dbraw/zinc/29/73/74/838297374.db2.gz CEEIBPNSWOAKHA-UHFFFAOYSA-N 1 2 338.411 0.887 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1(COC)CC1 ZINC001267706520 838308919 /nfs/dbraw/zinc/30/89/19/838308919.db2.gz NDVKHNDEMDMPSW-KKUMJFAQSA-N 1 2 333.432 0.226 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1(COC)CC1 ZINC001267706520 838308925 /nfs/dbraw/zinc/30/89/25/838308925.db2.gz NDVKHNDEMDMPSW-KKUMJFAQSA-N 1 2 333.432 0.226 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001267728916 838412769 /nfs/dbraw/zinc/41/27/69/838412769.db2.gz QVMLVQPJEOVRET-AAEUAGOBSA-N 1 2 329.404 0.229 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001267728916 838412773 /nfs/dbraw/zinc/41/27/73/838412773.db2.gz QVMLVQPJEOVRET-AAEUAGOBSA-N 1 2 329.404 0.229 20 30 ECEDLO CCN(CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1)c1ccccc1 ZINC001267735180 838429947 /nfs/dbraw/zinc/42/99/47/838429947.db2.gz NNDUFBTVJDXIFG-HNNXBMFYSA-N 1 2 343.431 0.343 20 30 ECEDLO CCN(CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1)c1ccccc1 ZINC001267735180 838429950 /nfs/dbraw/zinc/42/99/50/838429950.db2.gz NNDUFBTVJDXIFG-HNNXBMFYSA-N 1 2 343.431 0.343 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](OCC)c2ccccc2)C1 ZINC001267735153 838430233 /nfs/dbraw/zinc/43/02/33/838430233.db2.gz LYXKIBBXZIHFSS-FUHWJXTLSA-N 1 2 343.427 0.704 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](OCC)c2ccccc2)C1 ZINC001267735153 838430239 /nfs/dbraw/zinc/43/02/39/838430239.db2.gz LYXKIBBXZIHFSS-FUHWJXTLSA-N 1 2 343.427 0.704 20 30 ECEDLO CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CSCC#N)C1 ZINC001267737400 838433568 /nfs/dbraw/zinc/43/35/68/838433568.db2.gz KGDCRNVILSNKAM-ZIAGYGMSSA-N 1 2 340.493 0.984 20 30 ECEDLO CC(C)CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CSCC#N)C1 ZINC001267737400 838433572 /nfs/dbraw/zinc/43/35/72/838433572.db2.gz KGDCRNVILSNKAM-ZIAGYGMSSA-N 1 2 340.493 0.984 20 30 ECEDLO C[C@]1(c2ccccc2)C[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267746852 838453909 /nfs/dbraw/zinc/45/39/09/838453909.db2.gz ZVWUBKFBEAQZQH-JTDSTZFVSA-N 1 2 340.427 0.794 20 30 ECEDLO C[C@]1(c2ccccc2)C[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267746852 838453912 /nfs/dbraw/zinc/45/39/12/838453912.db2.gz ZVWUBKFBEAQZQH-JTDSTZFVSA-N 1 2 340.427 0.794 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(=O)NC(=O)NC)C2)CC1 ZINC001267748609 838460376 /nfs/dbraw/zinc/46/03/76/838460376.db2.gz AVCLBOSJCATVPK-TZMCWYRMSA-N 1 2 336.436 0.767 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(=O)NC(=O)NC)C2)CC1 ZINC001267748609 838460378 /nfs/dbraw/zinc/46/03/78/838460378.db2.gz AVCLBOSJCATVPK-TZMCWYRMSA-N 1 2 336.436 0.767 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C2)CC1 ZINC001267748608 838460548 /nfs/dbraw/zinc/46/05/48/838460548.db2.gz AVCLBOSJCATVPK-GXTWGEPZSA-N 1 2 336.436 0.767 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(=O)NC(=O)NC)C2)CC1 ZINC001267748608 838460555 /nfs/dbraw/zinc/46/05/55/838460555.db2.gz AVCLBOSJCATVPK-GXTWGEPZSA-N 1 2 336.436 0.767 20 30 ECEDLO CC(C)OCCCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)C#N)C1 ZINC001267759901 838485650 /nfs/dbraw/zinc/48/56/50/838485650.db2.gz NYPWDZJPIQACEA-HUUCEWRRSA-N 1 2 338.452 0.610 20 30 ECEDLO CC(C)OCCCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)C#N)C1 ZINC001267759901 838485653 /nfs/dbraw/zinc/48/56/53/838485653.db2.gz NYPWDZJPIQACEA-HUUCEWRRSA-N 1 2 338.452 0.610 20 30 ECEDLO CCCn1nccc1C(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267762007 838491147 /nfs/dbraw/zinc/49/11/47/838491147.db2.gz BVFWOZXFWFRAPW-CYBMUJFWSA-N 1 2 332.408 0.079 20 30 ECEDLO CCCn1nccc1C(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267762007 838491148 /nfs/dbraw/zinc/49/11/48/838491148.db2.gz BVFWOZXFWFRAPW-CYBMUJFWSA-N 1 2 332.408 0.079 20 30 ECEDLO COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3n[nH]nc32)C1 ZINC001267764502 838495623 /nfs/dbraw/zinc/49/56/23/838495623.db2.gz WEVHVWFXICUPAU-ZDUSSCGKSA-N 1 2 327.388 0.754 20 30 ECEDLO COCC#CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc3n[nH]nc32)C1 ZINC001267764502 838495628 /nfs/dbraw/zinc/49/56/28/838495628.db2.gz WEVHVWFXICUPAU-ZDUSSCGKSA-N 1 2 327.388 0.754 20 30 ECEDLO COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3nn[nH]c32)C1 ZINC001267764502 838495633 /nfs/dbraw/zinc/49/56/33/838495633.db2.gz WEVHVWFXICUPAU-ZDUSSCGKSA-N 1 2 327.388 0.754 20 30 ECEDLO COCC#CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc3nn[nH]c32)C1 ZINC001267764502 838495639 /nfs/dbraw/zinc/49/56/39/838495639.db2.gz WEVHVWFXICUPAU-ZDUSSCGKSA-N 1 2 327.388 0.754 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(C3CC3)no2)C1 ZINC001267773376 838532774 /nfs/dbraw/zinc/53/27/74/838532774.db2.gz MMXAPEKSGWWUKX-ZDUSSCGKSA-N 1 2 330.388 0.448 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C3CC3)no2)C1 ZINC001267773376 838532785 /nfs/dbraw/zinc/53/27/85/838532785.db2.gz MMXAPEKSGWWUKX-ZDUSSCGKSA-N 1 2 330.388 0.448 20 30 ECEDLO CCN(C(=O)[C@@H](C)OCC1CC1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267782437 838556313 /nfs/dbraw/zinc/55/63/13/838556313.db2.gz VSYGVKHUXUALFK-HIFRSBDPSA-N 1 2 336.436 0.364 20 30 ECEDLO CCN(C(=O)[C@@H](C)OCC1CC1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267782437 838556316 /nfs/dbraw/zinc/55/63/16/838556316.db2.gz VSYGVKHUXUALFK-HIFRSBDPSA-N 1 2 336.436 0.364 20 30 ECEDLO CCN(C(=O)C#CC1CC1)[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCOC2)C1 ZINC001267786214 838562422 /nfs/dbraw/zinc/56/24/22/838562422.db2.gz JYBCTFIDFZRECZ-SJORKVTESA-N 1 2 347.459 0.475 20 30 ECEDLO CCN(C(=O)C#CC1CC1)[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCOC2)C1 ZINC001267786214 838562427 /nfs/dbraw/zinc/56/24/27/838562427.db2.gz JYBCTFIDFZRECZ-SJORKVTESA-N 1 2 347.459 0.475 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)c2cnnc(C)c2)C1 ZINC001267785992 838562960 /nfs/dbraw/zinc/56/29/60/838562960.db2.gz YCMBEEUHJNBZRX-HNNXBMFYSA-N 1 2 329.404 0.071 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cnnc(C)c2)C1 ZINC001267785992 838562967 /nfs/dbraw/zinc/56/29/67/838562967.db2.gz YCMBEEUHJNBZRX-HNNXBMFYSA-N 1 2 329.404 0.071 20 30 ECEDLO CCN(C(=O)c1ccnc(OC)c1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267788170 838564755 /nfs/dbraw/zinc/56/47/55/838564755.db2.gz RMCCJZTXSMYMMR-AWEZNQCLSA-N 1 2 345.403 0.266 20 30 ECEDLO CCN(C(=O)c1ccnc(OC)c1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267788170 838564763 /nfs/dbraw/zinc/56/47/63/838564763.db2.gz RMCCJZTXSMYMMR-AWEZNQCLSA-N 1 2 345.403 0.266 20 30 ECEDLO C#CCNC(=O)C[NH2+]C[C@@](C)(NC(=O)C(F)C(F)(F)F)C1CC1 ZINC001267852536 838650755 /nfs/dbraw/zinc/65/07/55/838650755.db2.gz DTJUGRQCAXIQFC-WCQYABFASA-N 1 2 337.317 0.511 20 30 ECEDLO C#CCNC(=O)C[NH2+]C[C@@](C)(NC(=O)[C@H](F)C(F)(F)F)C1CC1 ZINC001267852536 838650758 /nfs/dbraw/zinc/65/07/58/838650758.db2.gz DTJUGRQCAXIQFC-WCQYABFASA-N 1 2 337.317 0.511 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cnn(C)c2Cl)C1 ZINC001267942888 838831670 /nfs/dbraw/zinc/83/16/70/838831670.db2.gz PXBUKBCBZSDZPJ-LLVKDONJSA-N 1 2 339.827 0.570 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cnn(C)c2Cl)C1 ZINC001267942888 838831679 /nfs/dbraw/zinc/83/16/79/838831679.db2.gz PXBUKBCBZSDZPJ-LLVKDONJSA-N 1 2 339.827 0.570 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C)no1 ZINC001267965640 838881088 /nfs/dbraw/zinc/88/10/88/838881088.db2.gz OHBUUCRAFWZRCF-CABCVRRESA-N 1 2 349.435 0.930 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)NC[C@H]1CN(Cc2c[nH+]cn2C)CCO1 ZINC001268017442 838983105 /nfs/dbraw/zinc/98/31/05/838983105.db2.gz DDWBAPBQTBHUIY-HOCLYGCPSA-N 1 2 336.436 0.718 20 30 ECEDLO C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)c2cnn(C)c2C2CC2)C1 ZINC001268028198 839039177 /nfs/dbraw/zinc/03/91/77/839039177.db2.gz AMKDFUJANIZJPI-HNNXBMFYSA-N 1 2 348.447 0.931 20 30 ECEDLO C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)c2cnn(C)c2C2CC2)C1 ZINC001268028198 839039187 /nfs/dbraw/zinc/03/91/87/839039187.db2.gz AMKDFUJANIZJPI-HNNXBMFYSA-N 1 2 348.447 0.931 20 30 ECEDLO N#CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)CCC(F)(F)F)CC2 ZINC001268043679 839195269 /nfs/dbraw/zinc/19/52/69/839195269.db2.gz MAEXAIFQDWWVHE-UHFFFAOYSA-N 1 2 346.353 0.893 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CN=NC2=O)CC1 ZINC000981005826 839313615 /nfs/dbraw/zinc/31/36/15/839313615.db2.gz RATCJVAJTARQCT-UHFFFAOYSA-N 1 2 340.387 0.590 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CN=NC2=O)CC1 ZINC000981005826 839313620 /nfs/dbraw/zinc/31/36/20/839313620.db2.gz RATCJVAJTARQCT-UHFFFAOYSA-N 1 2 340.387 0.590 20 30 ECEDLO Cc1cnoc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077930708 781956091 /nfs/dbraw/zinc/95/60/91/781956091.db2.gz KLXJVMISJLNQOJ-HUUCEWRRSA-N 1 2 326.356 0.830 20 30 ECEDLO Cc1cnoc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077930708 781956093 /nfs/dbraw/zinc/95/60/93/781956093.db2.gz KLXJVMISJLNQOJ-HUUCEWRRSA-N 1 2 326.356 0.830 20 30 ECEDLO C[C@](C#N)(NC(=O)CN1CCCC[C@@H]1C[NH+]1CCOCC1)C1CC1 ZINC000109819974 291331843 /nfs/dbraw/zinc/33/18/43/291331843.db2.gz REZLKHFTGNTGJZ-SJLPKXTDSA-N 1 2 334.464 0.982 20 30 ECEDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CC[N@@H+]1C[C@H](C)O ZINC000246211621 243210950 /nfs/dbraw/zinc/21/09/50/243210950.db2.gz RVKMZKMGSWPBIL-GXTWGEPZSA-N 1 2 338.433 0.419 20 30 ECEDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CC[N@H+]1C[C@H](C)O ZINC000246211621 243210956 /nfs/dbraw/zinc/21/09/56/243210956.db2.gz RVKMZKMGSWPBIL-GXTWGEPZSA-N 1 2 338.433 0.419 20 30 ECEDLO CN1C[C@@H]2C[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CCN2C1=O ZINC000373244248 269694311 /nfs/dbraw/zinc/69/43/11/269694311.db2.gz KPHZZYBKHUKPQT-CVEARBPZSA-N 1 2 339.399 0.715 20 30 ECEDLO CN1C[C@@H]2C[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CCN2C1=O ZINC000373244248 269694312 /nfs/dbraw/zinc/69/43/12/269694312.db2.gz KPHZZYBKHUKPQT-CVEARBPZSA-N 1 2 339.399 0.715 20 30 ECEDLO COc1ccc(C#N)cc1NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000267562522 251154346 /nfs/dbraw/zinc/15/43/46/251154346.db2.gz GTUKMVNQDGXOQR-CQSZACIVSA-N 1 2 348.403 0.724 20 30 ECEDLO C=CCNC(=O)CNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000180295063 254507535 /nfs/dbraw/zinc/50/75/35/254507535.db2.gz FJQZOIQTMUBUNB-MRXNPFEDSA-N 1 2 346.431 0.661 20 30 ECEDLO CO/N=C(/C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccco1 ZINC000266098998 254519508 /nfs/dbraw/zinc/51/95/08/254519508.db2.gz CPSHYMCLTHTKKZ-XDJHFCHBSA-N 1 2 347.375 0.798 20 30 ECEDLO CO[C@H]1C[C@@H](C(N)=O)N(C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000329159730 254599962 /nfs/dbraw/zinc/59/99/62/254599962.db2.gz DKDIHQXGZYURCL-RYUDHWBXSA-N 1 2 326.397 0.390 20 30 ECEDLO C=CCN(CC=C)C(=O)C(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000459820061 254812061 /nfs/dbraw/zinc/81/20/61/254812061.db2.gz WXHKSLXWRLEJEF-AWEZNQCLSA-N 1 2 331.420 0.816 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC000491013874 254894168 /nfs/dbraw/zinc/89/41/68/254894168.db2.gz MDJYCVZXMSTVGS-HNNXBMFYSA-N 1 2 343.427 0.867 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC000491013874 254894170 /nfs/dbraw/zinc/89/41/70/254894170.db2.gz MDJYCVZXMSTVGS-HNNXBMFYSA-N 1 2 343.427 0.867 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@@H](OC)Cc3ccccc32)CC1 ZINC000491147267 254899178 /nfs/dbraw/zinc/89/91/78/254899178.db2.gz QUZRPGUNBHMQFM-KRWDZBQOSA-N 1 2 327.428 0.842 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496909575 255140850 /nfs/dbraw/zinc/14/08/50/255140850.db2.gz QJISBJZOZDHJHW-KGLIPLIRSA-N 1 2 339.436 0.692 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496909575 255140852 /nfs/dbraw/zinc/14/08/52/255140852.db2.gz QJISBJZOZDHJHW-KGLIPLIRSA-N 1 2 339.436 0.692 20 30 ECEDLO N#Cc1cccc(/C=C/C(=O)NCC(=O)NCC[NH+]2CCOCC2)c1 ZINC000111073910 296638556 /nfs/dbraw/zinc/63/85/56/296638556.db2.gz RUESRGYZCNMVMT-SNAWJCMRSA-N 1 2 342.399 0.136 20 30 ECEDLO CC[C@@H]1CN(C(=O)NC[C@@H]2CCCS2(=O)=O)CC[N@@H+]1C[C@@H](C)O ZINC000329756745 287121667 /nfs/dbraw/zinc/12/16/67/287121667.db2.gz MMKNRDYNETUJJA-MCIONIFRSA-N 1 2 347.481 0.255 20 30 ECEDLO CC[C@@H]1CN(C(=O)NC[C@@H]2CCCS2(=O)=O)CC[N@H+]1C[C@@H](C)O ZINC000329756745 287121668 /nfs/dbraw/zinc/12/16/68/287121668.db2.gz MMKNRDYNETUJJA-MCIONIFRSA-N 1 2 347.481 0.255 20 30 ECEDLO C[C@H](CNS(=O)(=O)c1ccccc1C#N)C[NH+]1CCN(C)CC1 ZINC000122253398 222046784 /nfs/dbraw/zinc/04/67/84/222046784.db2.gz AQLFYEDPWUVRDC-CQSZACIVSA-N 1 2 336.461 0.720 20 30 ECEDLO C#C[C@H](CCC)NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000491315694 421165960 /nfs/dbraw/zinc/16/59/60/421165960.db2.gz PLOVQSDQMIULQU-CQSZACIVSA-N 1 2 347.419 0.072 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCOc1ccc(C#N)cc1 ZINC000175107881 263151752 /nfs/dbraw/zinc/15/17/52/263151752.db2.gz JCWSLNHLUYFNFA-AWEZNQCLSA-N 1 2 332.404 0.957 20 30 ECEDLO N#Cc1ncn(CCNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)n1 ZINC000286220253 264381586 /nfs/dbraw/zinc/38/15/86/264381586.db2.gz CAAUZUYGTHXVTP-LBPRGKRZSA-N 1 2 328.380 0.261 20 30 ECEDLO N#Cc1ncn(CCNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)n1 ZINC000286220253 264381587 /nfs/dbraw/zinc/38/15/87/264381587.db2.gz CAAUZUYGTHXVTP-LBPRGKRZSA-N 1 2 328.380 0.261 20 30 ECEDLO N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000373727329 270007791 /nfs/dbraw/zinc/00/77/91/270007791.db2.gz KSQPOODEHQVRJL-UHFFFAOYSA-N 1 2 347.440 0.780 20 30 ECEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000293777264 264920957 /nfs/dbraw/zinc/92/09/57/264920957.db2.gz SQMCGLQSLHXVTL-JSGCOSHPSA-N 1 2 343.387 0.213 20 30 ECEDLO N#Cc1cc(F)c(S(=O)(=O)NCC[NH+]2CCC(O)CC2)c(F)c1 ZINC000295389464 265063261 /nfs/dbraw/zinc/06/32/61/265063261.db2.gz RGWXVYRNMWTDQR-UHFFFAOYSA-N 1 2 345.371 0.571 20 30 ECEDLO COCC[N@H+](CCS(=O)(=O)N(C)C)Cc1ccc(C#N)cc1 ZINC000351861335 266684327 /nfs/dbraw/zinc/68/43/27/266684327.db2.gz ZFDIEBZUVNYEHX-UHFFFAOYSA-N 1 2 325.434 0.898 20 30 ECEDLO COCC[N@@H+](CCS(=O)(=O)N(C)C)Cc1ccc(C#N)cc1 ZINC000351861335 266684330 /nfs/dbraw/zinc/68/43/30/266684330.db2.gz ZFDIEBZUVNYEHX-UHFFFAOYSA-N 1 2 325.434 0.898 20 30 ECEDLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC[N@@H+]1CCO ZINC000354495778 267037110 /nfs/dbraw/zinc/03/71/10/267037110.db2.gz GUPUEZYUJQVOBE-LLVKDONJSA-N 1 2 334.351 0.161 20 30 ECEDLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC[N@H+]1CCO ZINC000354495778 267037111 /nfs/dbraw/zinc/03/71/11/267037111.db2.gz GUPUEZYUJQVOBE-LLVKDONJSA-N 1 2 334.351 0.161 20 30 ECEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000366755738 267138238 /nfs/dbraw/zinc/13/82/38/267138238.db2.gz IYACPBWXYKJNRH-BYCMXARLSA-N 1 2 328.372 0.475 20 30 ECEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000366755738 267138239 /nfs/dbraw/zinc/13/82/39/267138239.db2.gz IYACPBWXYKJNRH-BYCMXARLSA-N 1 2 328.372 0.475 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)[C@H](C)C1 ZINC000291600724 267191381 /nfs/dbraw/zinc/19/13/81/267191381.db2.gz AAEXHEXCMCIJBI-NEPJUHHUSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)[C@H](C)C1 ZINC000291600724 267191383 /nfs/dbraw/zinc/19/13/83/267191383.db2.gz AAEXHEXCMCIJBI-NEPJUHHUSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC[N@@H+]1CCO ZINC000331196586 267235054 /nfs/dbraw/zinc/23/50/54/267235054.db2.gz YKOMIRFSQUBGKB-LBPRGKRZSA-N 1 2 341.408 0.526 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC[N@H+]1CCO ZINC000331196586 267235056 /nfs/dbraw/zinc/23/50/56/267235056.db2.gz YKOMIRFSQUBGKB-LBPRGKRZSA-N 1 2 341.408 0.526 20 30 ECEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000332497716 267280800 /nfs/dbraw/zinc/28/08/00/267280800.db2.gz ZLGOCLDXYILKMV-CVEARBPZSA-N 1 2 342.399 0.737 20 30 ECEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000332497716 267280804 /nfs/dbraw/zinc/28/08/04/267280804.db2.gz ZLGOCLDXYILKMV-CVEARBPZSA-N 1 2 342.399 0.737 20 30 ECEDLO Cc1cc(C[NH+]2CCN(CC(=O)N3CCOCC3)CC2)ccc1C#N ZINC000362967437 267325151 /nfs/dbraw/zinc/32/51/51/267325151.db2.gz RAZZCFPIDYKGGJ-UHFFFAOYSA-N 1 2 342.443 0.843 20 30 ECEDLO Cc1cc(CN2CC[NH+](CC(=O)N3CCOCC3)CC2)ccc1C#N ZINC000362967437 267325154 /nfs/dbraw/zinc/32/51/54/267325154.db2.gz RAZZCFPIDYKGGJ-UHFFFAOYSA-N 1 2 342.443 0.843 20 30 ECEDLO N#Cc1ccc(C(=O)NCC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000366547963 268031315 /nfs/dbraw/zinc/03/13/15/268031315.db2.gz AHACDDNRXHWSMO-MRXNPFEDSA-N 1 2 342.399 0.221 20 30 ECEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@@H](S(N)(=O)=O)C3)C2=O)cc1 ZINC000331479243 268110977 /nfs/dbraw/zinc/11/09/77/268110977.db2.gz QCIJONGLCORUPR-HUUCEWRRSA-N 1 2 348.428 0.416 20 30 ECEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CC[C@@H](S(N)(=O)=O)C3)C2=O)cc1 ZINC000331479243 268110979 /nfs/dbraw/zinc/11/09/79/268110979.db2.gz QCIJONGLCORUPR-HUUCEWRRSA-N 1 2 348.428 0.416 20 30 ECEDLO N#Cc1ccc(N2CC[C@H](C(=O)NCC[NH+]3CCOCC3)C2)c(F)c1 ZINC000285933690 268126264 /nfs/dbraw/zinc/12/62/64/268126264.db2.gz MHEWSDVLSGLJCA-HNNXBMFYSA-N 1 2 346.406 0.972 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC3(CC2)OCCO3)nc1 ZINC000290185463 268187197 /nfs/dbraw/zinc/18/71/97/268187197.db2.gz FPVIDYDKQAZIMN-UHFFFAOYSA-N 1 2 337.401 0.566 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1 ZINC000368964594 268188885 /nfs/dbraw/zinc/18/88/85/268188885.db2.gz PPAXEVVYUGRBDZ-BPUTZDHNSA-N 1 2 347.440 0.918 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1 ZINC000368964594 268188887 /nfs/dbraw/zinc/18/88/87/268188887.db2.gz PPAXEVVYUGRBDZ-BPUTZDHNSA-N 1 2 347.440 0.918 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000363096408 268194141 /nfs/dbraw/zinc/19/41/41/268194141.db2.gz QUMQZDXSUOVHTE-CVEARBPZSA-N 1 2 335.429 0.778 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCc3cn[nH]c3C2)nc1 ZINC000516922966 268250581 /nfs/dbraw/zinc/25/05/81/268250581.db2.gz XDIPWPHVMXZHAP-ZDUSSCGKSA-N 1 2 331.401 0.597 20 30 ECEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H](CO)C[NH+]2CCOCC2)c1 ZINC000519764571 268288892 /nfs/dbraw/zinc/28/88/92/268288892.db2.gz MNDAFPDPBXFSLL-YESZJQIVSA-N 1 2 329.400 0.471 20 30 ECEDLO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000330193000 288134623 /nfs/dbraw/zinc/13/46/23/288134623.db2.gz AEFJXFNKNZIDOO-OLZOCXBDSA-N 1 2 345.465 0.273 20 30 ECEDLO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000330193000 288134624 /nfs/dbraw/zinc/13/46/24/288134624.db2.gz AEFJXFNKNZIDOO-OLZOCXBDSA-N 1 2 345.465 0.273 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000452100277 288177391 /nfs/dbraw/zinc/17/73/91/288177391.db2.gz DSQJWJKEXBMUTA-LLVKDONJSA-N 1 2 343.836 0.899 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000452100277 288177395 /nfs/dbraw/zinc/17/73/95/288177395.db2.gz DSQJWJKEXBMUTA-LLVKDONJSA-N 1 2 343.836 0.899 20 30 ECEDLO CCC[N@H+](CC(=O)N(CCC#N)CCC#N)[C@H]1CCS(=O)(=O)C1 ZINC000072953672 436064428 /nfs/dbraw/zinc/06/44/28/436064428.db2.gz CWZPCRSOIQEMDB-AWEZNQCLSA-N 1 2 340.449 0.541 20 30 ECEDLO CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@H]1CCS(=O)(=O)C1 ZINC000072953672 436064433 /nfs/dbraw/zinc/06/44/33/436064433.db2.gz CWZPCRSOIQEMDB-AWEZNQCLSA-N 1 2 340.449 0.541 20 30 ECEDLO CCN(CC)C(=O)C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000072991593 436064734 /nfs/dbraw/zinc/06/47/34/436064734.db2.gz XJKZPWAJQIHKMH-UHFFFAOYSA-N 1 2 346.391 0.852 20 30 ECEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000249066722 301075689 /nfs/dbraw/zinc/07/56/89/301075689.db2.gz QKBALXMULPBWNB-KBPBESRZSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000249066722 301075691 /nfs/dbraw/zinc/07/56/91/301075691.db2.gz QKBALXMULPBWNB-KBPBESRZSA-N 1 2 337.445 0.942 20 30 ECEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)CN3CCOCC3)CC2)c1 ZINC000026343792 436163778 /nfs/dbraw/zinc/16/37/78/436163778.db2.gz HXNTWHGDJMJVBW-UHFFFAOYSA-N 1 2 328.416 0.535 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000075698129 436173162 /nfs/dbraw/zinc/17/31/62/436173162.db2.gz CAKFIOSATIGBPV-MRXNPFEDSA-N 1 2 338.496 0.895 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000075698129 436173167 /nfs/dbraw/zinc/17/31/67/436173167.db2.gz CAKFIOSATIGBPV-MRXNPFEDSA-N 1 2 338.496 0.895 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2csc(NC(C)=O)n2)CC1 ZINC000027559573 436178095 /nfs/dbraw/zinc/17/80/95/436178095.db2.gz JIDIIJRQEJRYAT-UHFFFAOYSA-N 1 2 337.449 0.521 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)CN1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000028751117 436192623 /nfs/dbraw/zinc/19/26/23/436192623.db2.gz RZZOSRGHXBUBHI-KBXCAEBGSA-N 1 2 349.479 0.326 20 30 ECEDLO C#CC[NH+]1CCN(CN2C(=O)N[C@@](C)(c3ccccc3C)C2=O)CC1 ZINC000076264837 436197688 /nfs/dbraw/zinc/19/76/88/436197688.db2.gz PDAPSWZKBCVDML-IBGZPJMESA-N 1 2 340.427 0.970 20 30 ECEDLO C=CCN(CC=C)C(=O)C[NH+]1CCC(NS(=O)(=O)CCC)CC1 ZINC000042133990 436299355 /nfs/dbraw/zinc/29/93/55/436299355.db2.gz UHIUFCNKMUMVLC-UHFFFAOYSA-N 1 2 343.493 0.981 20 30 ECEDLO C#CCNC(=O)[C@H](C)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000042510432 436306267 /nfs/dbraw/zinc/30/62/67/436306267.db2.gz RKRMCJQBWNLAPK-HNNXBMFYSA-N 1 2 343.427 0.713 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000042510432 436306272 /nfs/dbraw/zinc/30/62/72/436306272.db2.gz RKRMCJQBWNLAPK-HNNXBMFYSA-N 1 2 343.427 0.713 20 30 ECEDLO C#CCN1CCN(C(=O)CO[NH+]=C(N)Cc2ccccc2C)CC1 ZINC000080291966 436316763 /nfs/dbraw/zinc/31/67/63/436316763.db2.gz QCGAJOLIZIUHHU-UHFFFAOYSA-N 1 2 328.416 0.604 20 30 ECEDLO C[C@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000083736219 436375786 /nfs/dbraw/zinc/37/57/86/436375786.db2.gz LXLBUNXNPOCIGX-YOEHRIQHSA-N 1 2 346.431 0.954 20 30 ECEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000047860048 436431776 /nfs/dbraw/zinc/43/17/76/436431776.db2.gz AUANHRKFWYKYFM-ZBFHGGJFSA-N 1 2 343.431 0.759 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCN(c3ncccc3F)CC2)CC1 ZINC000090632416 436434837 /nfs/dbraw/zinc/43/48/37/436434837.db2.gz HTOGOEDOJJKCBA-UHFFFAOYSA-N 1 2 345.422 0.120 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](O)c2ccccc2)CC1 ZINC000091442388 436450002 /nfs/dbraw/zinc/45/00/02/436450002.db2.gz ZDKFEADGKCTUEI-QGZVFWFLSA-N 1 2 343.427 0.394 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](O)c2ccccc2)CC1 ZINC000091442388 436450006 /nfs/dbraw/zinc/45/00/06/436450006.db2.gz ZDKFEADGKCTUEI-QGZVFWFLSA-N 1 2 343.427 0.394 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000054395102 436551662 /nfs/dbraw/zinc/55/16/62/436551662.db2.gz UUOHQBBSRQURHS-AWEZNQCLSA-N 1 2 330.388 0.561 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000054395102 436551664 /nfs/dbraw/zinc/55/16/64/436551664.db2.gz UUOHQBBSRQURHS-AWEZNQCLSA-N 1 2 330.388 0.561 20 30 ECEDLO C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000104938639 436566857 /nfs/dbraw/zinc/56/68/57/436566857.db2.gz XWLWKLAAHRCCGR-KBPBESRZSA-N 1 2 344.415 0.513 20 30 ECEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2cnc(C#N)cn2)CC1 ZINC000106464154 436597236 /nfs/dbraw/zinc/59/72/36/436597236.db2.gz VSJLLUHSMNGCQY-CQSZACIVSA-N 1 2 328.420 0.871 20 30 ECEDLO Cc1cccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c1C#N ZINC000249262404 302011178 /nfs/dbraw/zinc/01/11/78/302011178.db2.gz ZEGBVIIAFVYGFE-ZIAGYGMSSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c1C#N ZINC000249262404 302011181 /nfs/dbraw/zinc/01/11/81/302011181.db2.gz ZEGBVIIAFVYGFE-ZIAGYGMSSA-N 1 2 337.445 0.942 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000539785842 302172698 /nfs/dbraw/zinc/17/26/98/302172698.db2.gz XKHFWIRUCSPAOD-AWEZNQCLSA-N 1 2 337.807 0.977 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CCCO)CC2)c(F)c1 ZINC000541825279 302189393 /nfs/dbraw/zinc/18/93/93/302189393.db2.gz ZMFKRIQYXDPYDD-UHFFFAOYSA-N 1 2 327.381 0.386 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccncc2CC)CC1 ZINC000136942126 436654193 /nfs/dbraw/zinc/65/41/93/436654193.db2.gz QCWIDQUNJVMHAG-UHFFFAOYSA-N 1 2 328.416 0.541 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccncc2CC)CC1 ZINC000136942126 436654196 /nfs/dbraw/zinc/65/41/96/436654196.db2.gz QCWIDQUNJVMHAG-UHFFFAOYSA-N 1 2 328.416 0.541 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000120561058 436692046 /nfs/dbraw/zinc/69/20/46/436692046.db2.gz VRNAUSONXUHJBL-OCCSQVGLSA-N 1 2 342.465 0.151 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000120561058 436692048 /nfs/dbraw/zinc/69/20/48/436692048.db2.gz VRNAUSONXUHJBL-OCCSQVGLSA-N 1 2 342.465 0.151 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCC(n2[nH]cc(C(=O)OCC)c2=N)CC1 ZINC000120711969 436696288 /nfs/dbraw/zinc/69/62/88/436696288.db2.gz IQLINUKOHKSGLI-LBPRGKRZSA-N 1 2 347.419 0.247 20 30 ECEDLO C=CCOc1ccc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)cc1OC ZINC000269897183 436668999 /nfs/dbraw/zinc/66/89/99/436668999.db2.gz FOPLJPYJEXDGLR-UHFFFAOYSA-N 1 2 347.415 0.812 20 30 ECEDLO C=CCOc1ccc(C(=O)NCCC[N@H+]2CCNC(=O)C2)cc1OC ZINC000269897183 436669003 /nfs/dbraw/zinc/66/90/03/436669003.db2.gz FOPLJPYJEXDGLR-UHFFFAOYSA-N 1 2 347.415 0.812 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)CC(=O)N1CCC(C(=O)OCC)CC1 ZINC000270697888 436674064 /nfs/dbraw/zinc/67/40/64/436674064.db2.gz DUIWDTONGCHIPQ-CYBMUJFWSA-N 1 2 339.436 0.411 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)CC(=O)N1CCC(C(=O)OCC)CC1 ZINC000270697888 436674066 /nfs/dbraw/zinc/67/40/66/436674066.db2.gz DUIWDTONGCHIPQ-CYBMUJFWSA-N 1 2 339.436 0.411 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(c2cc(Cl)nc(C3CC3)n2)CC1 ZINC000271178625 436678738 /nfs/dbraw/zinc/67/87/38/436678738.db2.gz LRMJQPALHWMZRJ-UHFFFAOYSA-N 1 2 333.823 0.879 20 30 ECEDLO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000152811543 436741547 /nfs/dbraw/zinc/74/15/47/436741547.db2.gz ZLMAFXYZRPHMBV-DOTOQJQBSA-N 1 2 348.443 0.680 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2cnc(C#N)cn2)CC1 ZINC000123774766 436742253 /nfs/dbraw/zinc/74/22/53/436742253.db2.gz FIBQCYWOMOQGHE-ZDUSSCGKSA-N 1 2 332.408 0.011 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](S(=O)(=O)NCC)C1 ZINC000245540015 436764692 /nfs/dbraw/zinc/76/46/92/436764692.db2.gz ORTNYTZUZXTQOG-KGLIPLIRSA-N 1 2 331.482 0.813 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](S(=O)(=O)NCC)C1 ZINC000245540015 436764695 /nfs/dbraw/zinc/76/46/95/436764695.db2.gz ORTNYTZUZXTQOG-KGLIPLIRSA-N 1 2 331.482 0.813 20 30 ECEDLO COC(C[N@H+](CCCO)CC(=O)NCc1ccc(C#N)cc1)OC ZINC000273565551 436765446 /nfs/dbraw/zinc/76/54/46/436765446.db2.gz FBYUQXDSFIJAMY-UHFFFAOYSA-N 1 2 335.404 0.478 20 30 ECEDLO COC(C[N@@H+](CCCO)CC(=O)NCc1ccc(C#N)cc1)OC ZINC000273565551 436765451 /nfs/dbraw/zinc/76/54/51/436765451.db2.gz FBYUQXDSFIJAMY-UHFFFAOYSA-N 1 2 335.404 0.478 20 30 ECEDLO CS(=O)(=O)CC[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C1CC1 ZINC000156587194 436817935 /nfs/dbraw/zinc/81/79/35/436817935.db2.gz NANBFIBSSLQDAM-HNNXBMFYSA-N 1 2 338.429 0.807 20 30 ECEDLO CS(=O)(=O)CC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C1CC1 ZINC000156587194 436817937 /nfs/dbraw/zinc/81/79/37/436817937.db2.gz NANBFIBSSLQDAM-HNNXBMFYSA-N 1 2 338.429 0.807 20 30 ECEDLO CS(=O)(=O)CC[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1CC1 ZINC000156587338 436818274 /nfs/dbraw/zinc/81/82/74/436818274.db2.gz NANBFIBSSLQDAM-OAHLLOKOSA-N 1 2 338.429 0.807 20 30 ECEDLO CS(=O)(=O)CC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1CC1 ZINC000156587338 436818276 /nfs/dbraw/zinc/81/82/76/436818276.db2.gz NANBFIBSSLQDAM-OAHLLOKOSA-N 1 2 338.429 0.807 20 30 ECEDLO C[C@H](NS(=O)(=O)N(C)CCC#N)C1([NH+]2CCOCC2)CCCC1 ZINC000125461704 436771426 /nfs/dbraw/zinc/77/14/26/436771426.db2.gz ZGUSPQVYBKNDRW-AWEZNQCLSA-N 1 2 344.481 0.700 20 30 ECEDLO C[C@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000125802836 436776825 /nfs/dbraw/zinc/77/68/25/436776825.db2.gz KHWWWWCXIWBCCT-ZANVPECISA-N 1 2 345.371 0.834 20 30 ECEDLO C[C@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000125802836 436776827 /nfs/dbraw/zinc/77/68/27/436776827.db2.gz KHWWWWCXIWBCCT-ZANVPECISA-N 1 2 345.371 0.834 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CON=C(N)COc2ccc(F)cc2)CC1 ZINC000154695286 436784033 /nfs/dbraw/zinc/78/40/33/436784033.db2.gz DDINVZQQCHOJJF-UHFFFAOYSA-N 1 2 348.378 0.271 20 30 ECEDLO N#Cc1ccc([C@@H](O)C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000126638309 436790755 /nfs/dbraw/zinc/79/07/55/436790755.db2.gz NMSVDQFBFOIIIJ-DLBZAZTESA-N 1 2 329.400 0.915 20 30 ECEDLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000126742901 436792206 /nfs/dbraw/zinc/79/22/06/436792206.db2.gz GFFPPVCXCHNCDL-OAHLLOKOSA-N 1 2 328.416 0.928 20 30 ECEDLO CC(C)NC(=O)CN1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000155485592 436795856 /nfs/dbraw/zinc/79/58/56/436795856.db2.gz DLCPWGBJDFNENB-QGZVFWFLSA-N 1 2 330.432 0.734 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cnn2c1CCCC2 ZINC000127074301 436795918 /nfs/dbraw/zinc/79/59/18/436795918.db2.gz AUOVPUSPNGKBHZ-UHFFFAOYSA-N 1 2 331.420 0.907 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC(=O)N1CCCCC1 ZINC000155520498 436797702 /nfs/dbraw/zinc/79/77/02/436797702.db2.gz FSGAKRBLMDLDPG-AWEZNQCLSA-N 1 2 328.420 0.871 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CC(=O)N1CCCCC1 ZINC000155520498 436797706 /nfs/dbraw/zinc/79/77/06/436797706.db2.gz FSGAKRBLMDLDPG-AWEZNQCLSA-N 1 2 328.420 0.871 20 30 ECEDLO C#CC[NH+]1CCN(CN2C(=O)NC3(C[C@@H](C)C[C@H](C)C3)C2=O)CC1 ZINC000130932794 436845404 /nfs/dbraw/zinc/84/54/04/436845404.db2.gz OEILZXBPJFEPTF-GJZGRUSLSA-N 1 2 332.448 0.941 20 30 ECEDLO N#Cc1ccc(C(=O)N(CCO)CC[NH+]2CCOCC2)cc1Cl ZINC000132493606 436864016 /nfs/dbraw/zinc/86/40/16/436864016.db2.gz UILMDWAKRJRUSP-UHFFFAOYSA-N 1 2 337.807 0.978 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@]23CCOC3=O)CC1 ZINC000249562091 436823994 /nfs/dbraw/zinc/82/39/94/436823994.db2.gz LWKSBYAFXZMXLF-CRAIPNDOSA-N 1 2 348.447 0.460 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@]23CCOC3=O)CC1 ZINC000249562091 436823995 /nfs/dbraw/zinc/82/39/95/436823995.db2.gz LWKSBYAFXZMXLF-CRAIPNDOSA-N 1 2 348.447 0.460 20 30 ECEDLO CCC[N@H+](CC(=O)N(CC)C[C@H](C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC000249727733 436826020 /nfs/dbraw/zinc/82/60/20/436826020.db2.gz RBRFNWFFUHROKD-KGLIPLIRSA-N 1 2 329.466 0.894 20 30 ECEDLO CCC[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC000249727733 436826022 /nfs/dbraw/zinc/82/60/22/436826022.db2.gz RBRFNWFFUHROKD-KGLIPLIRSA-N 1 2 329.466 0.894 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000280285713 436878223 /nfs/dbraw/zinc/87/82/23/436878223.db2.gz ZDZWWUNPYSKREH-LSDHHAIUSA-N 1 2 332.452 0.717 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000280285713 436878226 /nfs/dbraw/zinc/87/82/26/436878226.db2.gz ZDZWWUNPYSKREH-LSDHHAIUSA-N 1 2 332.452 0.717 20 30 ECEDLO COc1ccccc1[C@@H]1C[NH2+]CCN1S(=O)(=O)N(C)CCC#N ZINC000261658771 436880314 /nfs/dbraw/zinc/88/03/14/436880314.db2.gz IBCOROHVENEGPA-AWEZNQCLSA-N 1 2 338.433 0.732 20 30 ECEDLO COc1ccc(CCNC(=O)[C@@H](C)O[NH+]=C(N)CCO)cc1OC ZINC000275445285 436968778 /nfs/dbraw/zinc/96/87/78/436968778.db2.gz HYYOWUADSICEMY-LLVKDONJSA-N 1 2 339.392 0.422 20 30 ECEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000275497417 436976725 /nfs/dbraw/zinc/97/67/25/436976725.db2.gz GMQXKOWUUXJZGT-BPUTZDHNSA-N 1 2 334.372 0.296 20 30 ECEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000275497417 436976729 /nfs/dbraw/zinc/97/67/29/436976729.db2.gz GMQXKOWUUXJZGT-BPUTZDHNSA-N 1 2 334.372 0.296 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000294216678 436941160 /nfs/dbraw/zinc/94/11/60/436941160.db2.gz AOTTXCMNGSKYQN-LBPRGKRZSA-N 1 2 328.376 0.050 20 30 ECEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CCN(c2cccnn2)CC1 ZINC000170648830 436948003 /nfs/dbraw/zinc/94/80/03/436948003.db2.gz RLYFBSXCMAJFCK-UHFFFAOYSA-N 1 2 327.392 0.255 20 30 ECEDLO CC#CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000283346150 437027450 /nfs/dbraw/zinc/02/74/50/437027450.db2.gz XMIYYZOQIAAFTC-CQSZACIVSA-N 1 2 329.404 0.422 20 30 ECEDLO CC#CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000283346150 437027454 /nfs/dbraw/zinc/02/74/54/437027454.db2.gz XMIYYZOQIAAFTC-CQSZACIVSA-N 1 2 329.404 0.422 20 30 ECEDLO C#CCN(C)C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000283503991 437028776 /nfs/dbraw/zinc/02/87/76/437028776.db2.gz DWRNETHYZVAJSA-UHFFFAOYSA-N 1 2 328.416 0.464 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC)CC1 ZINC000283664827 437030265 /nfs/dbraw/zinc/03/02/65/437030265.db2.gz FBPQPQKOVGECEE-UHFFFAOYSA-N 1 2 339.403 0.701 20 30 ECEDLO C=CCN1CC[C@@H](N2CC[N@H+]([C@H]3CCN(CC=C)C3=O)C[C@H]2C)C1=O ZINC000281912236 437005699 /nfs/dbraw/zinc/00/56/99/437005699.db2.gz GONGTOQKEQAVPD-IXDOHACOSA-N 1 2 346.475 0.566 20 30 ECEDLO C=CCN1CC[C@@H](N2CC[N@@H+]([C@H]3CCN(CC=C)C3=O)C[C@H]2C)C1=O ZINC000281912236 437005703 /nfs/dbraw/zinc/00/57/03/437005703.db2.gz GONGTOQKEQAVPD-IXDOHACOSA-N 1 2 346.475 0.566 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCN([C@H]3CCN(CC=C)C3=O)C[C@H]2C)C1=O ZINC000281912236 437005707 /nfs/dbraw/zinc/00/57/07/437005707.db2.gz GONGTOQKEQAVPD-IXDOHACOSA-N 1 2 346.475 0.566 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCN([C@H]3CCN(CC=C)C3=O)C[C@H]2C)C1=O ZINC000281912236 437005710 /nfs/dbraw/zinc/00/57/10/437005710.db2.gz GONGTOQKEQAVPD-IXDOHACOSA-N 1 2 346.475 0.566 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cccc(O)c3)CC2)C1=O ZINC000282011284 437009993 /nfs/dbraw/zinc/00/99/93/437009993.db2.gz OKSXGWBVEBWSBW-MRXNPFEDSA-N 1 2 329.400 0.937 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)OCC)CC1 ZINC000299469026 437080120 /nfs/dbraw/zinc/08/01/20/437080120.db2.gz FYFBEDOOOPDEGT-LBPRGKRZSA-N 1 2 326.397 0.551 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCCN(C(=O)OCC)CC1 ZINC000299469026 437080122 /nfs/dbraw/zinc/08/01/22/437080122.db2.gz FYFBEDOOOPDEGT-LBPRGKRZSA-N 1 2 326.397 0.551 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(c2cnc3cc(F)c(F)cc3n2)CC1 ZINC000265514013 437143356 /nfs/dbraw/zinc/14/33/56/437143356.db2.gz KXNLLZHSIWQVFX-UHFFFAOYSA-N 1 2 345.353 0.779 20 30 ECEDLO Cn1c[nH+]cc1CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000177247743 437175775 /nfs/dbraw/zinc/17/57/75/437175775.db2.gz YMRZOCFYMIVDGG-UHFFFAOYSA-N 1 2 345.428 0.798 20 30 ECEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)Cn2cnc(C#N)n2)CC1 ZINC000331899100 437177703 /nfs/dbraw/zinc/17/77/03/437177703.db2.gz YPMDKYAYKKUEMU-UHFFFAOYSA-N 1 2 329.364 0.099 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cc(C#N)ccc1Cl ZINC000287560189 437204326 /nfs/dbraw/zinc/20/43/26/437204326.db2.gz QDMNLBSKCHEAIX-CYBMUJFWSA-N 1 2 337.807 0.977 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000332126105 437208057 /nfs/dbraw/zinc/20/80/57/437208057.db2.gz IQMMHEWMXPIOND-HIFRSBDPSA-N 1 2 344.481 0.508 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000332126105 437208059 /nfs/dbraw/zinc/20/80/59/437208059.db2.gz IQMMHEWMXPIOND-HIFRSBDPSA-N 1 2 344.481 0.508 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178782701 437229720 /nfs/dbraw/zinc/22/97/20/437229720.db2.gz YSWVRTIQWRJUHC-AWEZNQCLSA-N 1 2 330.388 0.062 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCc3cncnc3C2)CC1 ZINC000332585137 437233570 /nfs/dbraw/zinc/23/35/70/437233570.db2.gz HFJWKLWIIREJAH-QGZVFWFLSA-N 1 2 342.447 0.527 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCc3cncnc3C2)CC1 ZINC000332585137 437233572 /nfs/dbraw/zinc/23/35/72/437233572.db2.gz HFJWKLWIIREJAH-QGZVFWFLSA-N 1 2 342.447 0.527 20 30 ECEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000327903526 437234155 /nfs/dbraw/zinc/23/41/55/437234155.db2.gz XUCZDOIIVSPQNO-FZMZJTMJSA-N 1 2 342.355 0.949 20 30 ECEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000327903526 437234159 /nfs/dbraw/zinc/23/41/59/437234159.db2.gz XUCZDOIIVSPQNO-FZMZJTMJSA-N 1 2 342.355 0.949 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc(F)cc2n[nH]nc21 ZINC000277703153 437246282 /nfs/dbraw/zinc/24/62/82/437246282.db2.gz OLIJAKLCLMPTIS-UHFFFAOYSA-N 1 2 346.366 0.785 20 30 ECEDLO O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000328652680 437246969 /nfs/dbraw/zinc/24/69/69/437246969.db2.gz BWDMRTGGYXONDD-UONOGXRCSA-N 1 2 345.465 0.132 20 30 ECEDLO C[C@@H]1CCN(C([O-])=[NH+]Cc2cc(C(N)=O)no2)C[C@@H]1n1cc[nH+]c1 ZINC000328731551 437258159 /nfs/dbraw/zinc/25/81/59/437258159.db2.gz WYPSCKSIFKMLBS-MFKMUULPSA-N 1 2 332.364 0.967 20 30 ECEDLO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[S@](=O)C1 ZINC000328728323 437258285 /nfs/dbraw/zinc/25/82/85/437258285.db2.gz VOHOQLKLENTHRK-DMZKTXOQSA-N 1 2 331.482 0.712 20 30 ECEDLO C[N@@H+]1CC[C@H]2OCCN(CCS(=O)(=O)c3cccc(C#N)c3)[C@H]2C1 ZINC000329040849 437308486 /nfs/dbraw/zinc/30/84/86/437308486.db2.gz SPKVFAXVUYDYSC-DLBZAZTESA-N 1 2 349.456 0.737 20 30 ECEDLO C[N@H+]1CC[C@H]2OCCN(CCS(=O)(=O)c3cccc(C#N)c3)[C@H]2C1 ZINC000329040849 437308489 /nfs/dbraw/zinc/30/84/89/437308489.db2.gz SPKVFAXVUYDYSC-DLBZAZTESA-N 1 2 349.456 0.737 20 30 ECEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1 ZINC000336910740 437309711 /nfs/dbraw/zinc/30/97/11/437309711.db2.gz HYKRKCCRAKPDAR-GFCCVEGCSA-N 1 2 343.391 0.660 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000336909050 437309725 /nfs/dbraw/zinc/30/97/25/437309725.db2.gz HCPFTNAONXLIES-UHFFFAOYSA-N 1 2 337.449 0.680 20 30 ECEDLO CC(C)C[C@@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)[NH+]1CCOCC1 ZINC000336923460 437311842 /nfs/dbraw/zinc/31/18/42/437311842.db2.gz USJYLFFSZRJHEM-GJZGRUSLSA-N 1 2 346.497 0.659 20 30 ECEDLO COC[C@H](NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)[C@@H]1CCCO1 ZINC000328895506 437280439 /nfs/dbraw/zinc/28/04/39/437280439.db2.gz VHGFWRJQYNFWLX-XGUBFFRZSA-N 1 2 327.425 0.499 20 30 ECEDLO COC[C@H](NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)[C@@H]1CCCO1 ZINC000328895506 437280443 /nfs/dbraw/zinc/28/04/43/437280443.db2.gz VHGFWRJQYNFWLX-XGUBFFRZSA-N 1 2 327.425 0.499 20 30 ECEDLO O=C(NCCn1cc[nH+]c1)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000328956887 437291896 /nfs/dbraw/zinc/29/18/96/437291896.db2.gz NTOSBOPYORHBBC-INIZCTEOSA-N 1 2 335.408 0.246 20 30 ECEDLO O=C(N1CCCC1)[C@]1(O)CCCN(C([O-])=[NH+]CCn2cc[nH+]c2)C1 ZINC000328956887 437291900 /nfs/dbraw/zinc/29/19/00/437291900.db2.gz NTOSBOPYORHBBC-INIZCTEOSA-N 1 2 335.408 0.246 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NC[C@H]2Cc3ccccc3O2)C1=O ZINC000337221265 437341411 /nfs/dbraw/zinc/34/14/11/437341411.db2.gz LAYYLPFQUSGRND-HZPDHXFCSA-N 1 2 343.427 0.825 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NC[C@H]2Cc3ccccc3O2)C1=O ZINC000337221265 437341416 /nfs/dbraw/zinc/34/14/16/437341416.db2.gz LAYYLPFQUSGRND-HZPDHXFCSA-N 1 2 343.427 0.825 20 30 ECEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C([O-])=[NH+][C@H]1CCc2c[nH]nc2C1 ZINC000329299608 437350266 /nfs/dbraw/zinc/35/02/66/437350266.db2.gz UZRGPXFZUXRTRH-SNPRPXQTSA-N 1 2 333.436 0.976 20 30 ECEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000329299608 437350269 /nfs/dbraw/zinc/35/02/69/437350269.db2.gz UZRGPXFZUXRTRH-SNPRPXQTSA-N 1 2 333.436 0.976 20 30 ECEDLO COCc1nc2n(n1)C[C@@H](NC(=O)C1([NH+]3CCOCC3)CCC1)CC2 ZINC000329316894 437350893 /nfs/dbraw/zinc/35/08/93/437350893.db2.gz FCULSJFCNGAQML-ZDUSSCGKSA-N 1 2 349.435 0.951 20 30 ECEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)Cc1cnc(N(C)C)nc1 ZINC000329318471 437352305 /nfs/dbraw/zinc/35/23/05/437352305.db2.gz DJXMGBYVHBXPTJ-CQSZACIVSA-N 1 2 349.483 0.524 20 30 ECEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1)C1CC1 ZINC000337416768 437360239 /nfs/dbraw/zinc/36/02/39/437360239.db2.gz RUQIMMCRJKUHHP-DZGCQCFKSA-N 1 2 327.450 0.694 20 30 ECEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H](S(C)(=O)=O)CC1)C1CC1 ZINC000337416768 437360242 /nfs/dbraw/zinc/36/02/42/437360242.db2.gz RUQIMMCRJKUHHP-DZGCQCFKSA-N 1 2 327.450 0.694 20 30 ECEDLO Cn1cc([C@@H]2C[NH2+]CCN2S(=O)(=O)Cc2cccc(C#N)c2)cn1 ZINC000181693610 437329303 /nfs/dbraw/zinc/32/93/03/437329303.db2.gz ODRCGEAEFVUJHU-INIZCTEOSA-N 1 2 345.428 0.768 20 30 ECEDLO CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000329192757 437331461 /nfs/dbraw/zinc/33/14/61/437331461.db2.gz RAYZENGFXNFMRV-ZNMIVQPWSA-N 1 2 338.452 0.705 20 30 ECEDLO CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000329192757 437331465 /nfs/dbraw/zinc/33/14/65/437331465.db2.gz RAYZENGFXNFMRV-ZNMIVQPWSA-N 1 2 338.452 0.705 20 30 ECEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@H](C(=O)NC)[C@@H](c2cnn(C)c2)C1 ZINC000329190172 437331864 /nfs/dbraw/zinc/33/18/64/437331864.db2.gz PZUOGNCZROIOTD-ILXRZTDVSA-N 1 2 349.435 0.269 20 30 ECEDLO CC[N@H+]1CCOC[C@H]1C(=O)N1C[C@H](C(=O)NC)[C@@H](c2cnn(C)c2)C1 ZINC000329190172 437331867 /nfs/dbraw/zinc/33/18/67/437331867.db2.gz PZUOGNCZROIOTD-ILXRZTDVSA-N 1 2 349.435 0.269 20 30 ECEDLO CC(C)(CNC(=O)CN1CC[S@@](=O)CC1(C)C)[NH+]1CCOCC1 ZINC000329187982 437332359 /nfs/dbraw/zinc/33/23/59/437332359.db2.gz PEGWNTBBPLUKFU-HSZRJFAPSA-N 1 2 345.509 0.897 20 30 ECEDLO 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/nfs/dbraw/zinc/47/81/11/437478111.db2.gz MQQIAEVWWPFPBM-ILXRZTDVSA-N 1 2 339.436 0.427 20 30 ECEDLO Cn1cc(C[NH+]2CCN(C(=O)N[C@@H]3CC(=O)N(C4CC4)C3)CC2)cn1 ZINC000330281459 437478894 /nfs/dbraw/zinc/47/88/94/437478894.db2.gz USFGOPBQDBDNHX-CQSZACIVSA-N 1 2 346.435 0.215 20 30 ECEDLO C[C@@H]1CCN(C(=O)NCC[NH+]2CCSCC2)CCS1(=O)=O ZINC000330297529 437480431 /nfs/dbraw/zinc/48/04/31/437480431.db2.gz GXVXKAPZRKGOLK-GFCCVEGCSA-N 1 2 335.495 0.458 20 30 ECEDLO C[C@H](CNC(=O)N1CCO[C@]2(CCO[C@H]2C)C1)[NH+]1CCOCC1 ZINC000329933507 437432713 /nfs/dbraw/zinc/43/27/13/437432713.db2.gz JGXOSOQSXLNPQY-IJEWVQPXSA-N 1 2 327.425 0.501 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000339070624 437439817 /nfs/dbraw/zinc/43/98/17/437439817.db2.gz CDEUBUDUQVSJQU-UONOGXRCSA-N 1 2 344.481 0.398 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000339070624 437439821 /nfs/dbraw/zinc/43/98/21/437439821.db2.gz CDEUBUDUQVSJQU-UONOGXRCSA-N 1 2 344.481 0.398 20 30 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/nfs/dbraw/zinc/46/04/80/437460480.db2.gz PDBYYVJLPMFIKA-ZDUSSCGKSA-N 1 2 333.392 0.153 20 30 ECEDLO C=C(C)[C@H](CC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)OCC ZINC000339362042 437462236 /nfs/dbraw/zinc/46/22/36/437462236.db2.gz QGAUJPSGWVYPTI-HNNXBMFYSA-N 1 2 336.436 1.525 20 30 ECEDLO Cc1nccc(NC(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1 ZINC000330167588 437463712 /nfs/dbraw/zinc/46/37/12/437463712.db2.gz ZCMCTXWUZZUMEE-CYBMUJFWSA-N 1 2 346.435 0.959 20 30 ECEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCOC2(CCOCC2)C1 ZINC000330184639 437465497 /nfs/dbraw/zinc/46/54/97/437465497.db2.gz QVZIMMGPSIVWRW-OAHLLOKOSA-N 1 2 340.468 0.418 20 30 ECEDLO CC[C@@H]1CN(S(=O)(=O)N(C)C[C@H](C)C#N)CC[N@@H+]1CCOC ZINC000330377013 437495480 /nfs/dbraw/zinc/49/54/80/437495480.db2.gz DWGXHCKVUQUJEW-ZIAGYGMSSA-N 1 2 332.470 0.365 20 30 ECEDLO CC[C@@H]1CN(S(=O)(=O)N(C)C[C@H](C)C#N)CC[N@H+]1CCOC ZINC000330377013 437495485 /nfs/dbraw/zinc/49/54/85/437495485.db2.gz DWGXHCKVUQUJEW-ZIAGYGMSSA-N 1 2 332.470 0.365 20 30 ECEDLO 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ZINC000330421053 437506886 /nfs/dbraw/zinc/50/68/86/437506886.db2.gz AMEMIQHFLPUESC-LBPRGKRZSA-N 1 2 343.453 0.541 20 30 ECEDLO CC(C)CNC(=O)NC(=O)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000330591822 437560168 /nfs/dbraw/zinc/56/01/68/437560168.db2.gz VQSOADXMLQITBC-ZNMIVQPWSA-N 1 2 341.452 0.925 20 30 ECEDLO CC(C)CNC(=O)NC(=O)C[N@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000330591822 437560173 /nfs/dbraw/zinc/56/01/73/437560173.db2.gz VQSOADXMLQITBC-ZNMIVQPWSA-N 1 2 341.452 0.925 20 30 ECEDLO C=C[C@@H](CO)NC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000291229211 437570676 /nfs/dbraw/zinc/57/06/76/437570676.db2.gz KMTVWJNBZAGOBX-INIZCTEOSA-N 1 2 349.431 0.744 20 30 ECEDLO CC(C)(O)C(C)(C)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000330869250 437637534 /nfs/dbraw/zinc/63/75/34/437637534.db2.gz AWYIFBMFAHEYQS-UHFFFAOYSA-N 1 2 339.440 1.091 20 30 ECEDLO C[C@@H](O)C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)CO ZINC000190857606 437641929 /nfs/dbraw/zinc/64/19/29/437641929.db2.gz BQJBLGPKTKYSQZ-QWHCGFSZSA-N 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/nfs/dbraw/zinc/65/78/09/437657809.db2.gz PKQHEHPYIUJNTQ-OAHLLOKOSA-N 1 2 344.415 0.971 20 30 ECEDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)CNc2ccc(C#N)cc2)C1 ZINC000354903085 437657810 /nfs/dbraw/zinc/65/78/10/437657810.db2.gz PKQHEHPYIUJNTQ-OAHLLOKOSA-N 1 2 344.415 0.971 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000340568240 437696210 /nfs/dbraw/zinc/69/62/10/437696210.db2.gz GUBNFPKZEOXNGY-UHFFFAOYSA-N 1 2 334.420 0.539 20 30 ECEDLO C=CCSCCNC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000340568191 437696484 /nfs/dbraw/zinc/69/64/84/437696484.db2.gz GYNPXUXNGSKHDP-UHFFFAOYSA-N 1 2 336.461 0.914 20 30 ECEDLO Cc1cc(C[NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)ccc1C#N ZINC000362953903 437763620 /nfs/dbraw/zinc/76/36/20/437763620.db2.gz DKEOFPGSGULIEF-UHFFFAOYSA-N 1 2 326.400 0.790 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCSC[C@@H]1CC(=O)OC ZINC000355954426 437738140 /nfs/dbraw/zinc/73/81/40/437738140.db2.gz MIUXMMOOPICCIT-STQMWFEESA-N 1 2 327.450 0.975 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCSC[C@@H]1CC(=O)OC ZINC000355954426 437738143 /nfs/dbraw/zinc/73/81/43/437738143.db2.gz MIUXMMOOPICCIT-STQMWFEESA-N 1 2 327.450 0.975 20 30 ECEDLO CCC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000356134631 437751373 /nfs/dbraw/zinc/75/13/73/437751373.db2.gz SHMBAFHMYKVYBO-UKRRQHHQSA-N 1 2 327.450 0.694 20 30 ECEDLO CCC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000356134631 437751376 /nfs/dbraw/zinc/75/13/76/437751376.db2.gz SHMBAFHMYKVYBO-UKRRQHHQSA-N 1 2 327.450 0.694 20 30 ECEDLO CCCn1nc2c(cc1=O)C[N@@H+](CC(=O)N(CC)CCC#N)CC2 ZINC000363449648 437792874 /nfs/dbraw/zinc/79/28/74/437792874.db2.gz MACHXLHVATZAQG-UHFFFAOYSA-N 1 2 331.420 0.774 20 30 ECEDLO CCCn1nc2c(cc1=O)C[N@H+](CC(=O)N(CC)CCC#N)CC2 ZINC000363449648 437792878 /nfs/dbraw/zinc/79/28/78/437792878.db2.gz MACHXLHVATZAQG-UHFFFAOYSA-N 1 2 331.420 0.774 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345656160 437795200 /nfs/dbraw/zinc/79/52/00/437795200.db2.gz CUCLIPXVAAPKHX-NSHDSACASA-N 1 2 348.363 0.488 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345656160 437795207 /nfs/dbraw/zinc/79/52/07/437795207.db2.gz CUCLIPXVAAPKHX-NSHDSACASA-N 1 2 348.363 0.488 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCSC[C@H]1CC(=O)OC ZINC000356657650 437808165 /nfs/dbraw/zinc/80/81/65/437808165.db2.gz AVRFBZOYNUFNIS-WDEREUQCSA-N 1 2 329.422 0.367 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCSC[C@H]1CC(=O)OC ZINC000356657650 437808172 /nfs/dbraw/zinc/80/81/72/437808172.db2.gz AVRFBZOYNUFNIS-WDEREUQCSA-N 1 2 329.422 0.367 20 30 ECEDLO CC(C)(C)C(=O)NCCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000346493723 437812301 /nfs/dbraw/zinc/81/23/01/437812301.db2.gz XDRHYAHENGACRN-UHFFFAOYSA-N 1 2 338.452 0.613 20 30 ECEDLO C#CCNC(=O)[C@H](C)N1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000365162024 437867808 /nfs/dbraw/zinc/86/78/08/437867808.db2.gz HWCXDZUQDJBIAD-BBRMVZONSA-N 1 2 339.399 0.254 20 30 ECEDLO CN(CC#CC[N@H+](C)C[C@H](O)C(F)(F)F)C[C@H](O)C(F)(F)F ZINC000341908115 437923206 /nfs/dbraw/zinc/92/32/06/437923206.db2.gz LVPAYZZHBNSIRW-UWVGGRQHSA-N 1 2 336.276 0.700 20 30 ECEDLO CN(CC#CC[N@@H+](C)C[C@H](O)C(F)(F)F)C[C@H](O)C(F)(F)F ZINC000341908115 437923211 /nfs/dbraw/zinc/92/32/11/437923211.db2.gz LVPAYZZHBNSIRW-UWVGGRQHSA-N 1 2 336.276 0.700 20 30 ECEDLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NS(=O)(=O)[C@H](C)C#N ZINC000416397319 437926136 /nfs/dbraw/zinc/92/61/36/437926136.db2.gz IYGVBNJCUDREBF-ZIAGYGMSSA-N 1 2 337.449 0.424 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)nn1 ZINC000424749194 437988338 /nfs/dbraw/zinc/98/83/38/437988338.db2.gz CXBYFYRMJSDTAH-CYBMUJFWSA-N 1 2 335.408 0.564 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)nn1 ZINC000424749194 437988344 /nfs/dbraw/zinc/98/83/44/437988344.db2.gz CXBYFYRMJSDTAH-CYBMUJFWSA-N 1 2 335.408 0.564 20 30 ECEDLO CNC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000342450204 438015341 /nfs/dbraw/zinc/01/53/41/438015341.db2.gz JECSVZUAVBOWLQ-TZMCWYRMSA-N 1 2 341.371 0.193 20 30 ECEDLO CNC(=O)N[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000342450204 438015349 /nfs/dbraw/zinc/01/53/49/438015349.db2.gz JECSVZUAVBOWLQ-TZMCWYRMSA-N 1 2 341.371 0.193 20 30 ECEDLO CCOC(=O)[C@H]([NH2+]CCC(=O)N(C)CCC#N)C1CCOCC1 ZINC000348776015 438097166 /nfs/dbraw/zinc/09/71/66/438097166.db2.gz OTUNQUMUFCRBMG-OAHLLOKOSA-N 1 2 325.409 0.696 20 30 ECEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)c(C#N)c1C ZINC000366419478 438069113 /nfs/dbraw/zinc/06/91/13/438069113.db2.gz OCWJQNJBHNIRHU-PWSUYJOCSA-N 1 2 346.412 0.770 20 30 ECEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)c(C#N)c1C ZINC000366419478 438069117 /nfs/dbraw/zinc/06/91/17/438069117.db2.gz OCWJQNJBHNIRHU-PWSUYJOCSA-N 1 2 346.412 0.770 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000430406847 438110158 /nfs/dbraw/zinc/11/01/58/438110158.db2.gz VFMFOWLJTRSDIW-KKUMJFAQSA-N 1 2 346.431 0.833 20 30 ECEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC2(CC#N)CC2)CC1 ZINC000431055222 438144853 /nfs/dbraw/zinc/14/48/53/438144853.db2.gz HFJKPLGICZEQRW-ZDUSSCGKSA-N 1 2 333.436 0.675 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000367171599 438176343 /nfs/dbraw/zinc/17/63/43/438176343.db2.gz KIQDYUOXMPOJOY-MCIONIFRSA-N 1 2 330.454 0.308 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000367171599 438176349 /nfs/dbraw/zinc/17/63/49/438176349.db2.gz KIQDYUOXMPOJOY-MCIONIFRSA-N 1 2 330.454 0.308 20 30 ECEDLO COc1ccccc1C[NH+]1CCN(C(=O)NCC(=O)NCC#N)CC1 ZINC000358281742 438192138 /nfs/dbraw/zinc/19/21/38/438192138.db2.gz VREASWCZOWOZOU-UHFFFAOYSA-N 1 2 345.403 0.162 20 30 ECEDLO COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000367131904 438170638 /nfs/dbraw/zinc/17/06/38/438170638.db2.gz WEMLRDKRCCDIJJ-GFCCVEGCSA-N 1 2 327.410 0.653 20 30 ECEDLO N#CC1(c2nc(CC(=O)NCC[NH+]3CCOCC3)no2)CCCC1 ZINC000350679017 438226898 /nfs/dbraw/zinc/22/68/98/438226898.db2.gz IWQQCODLWZKMQJ-UHFFFAOYSA-N 1 2 333.392 0.396 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000350661505 438227479 /nfs/dbraw/zinc/22/74/79/438227479.db2.gz QRMLVSLWYWKZMN-HUUCEWRRSA-N 1 2 336.480 0.742 20 30 ECEDLO C=CCNC(=O)[C@@H](C)N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000350661505 438227483 /nfs/dbraw/zinc/22/74/83/438227483.db2.gz QRMLVSLWYWKZMN-HUUCEWRRSA-N 1 2 336.480 0.742 20 30 ECEDLO N#CCNC(=O)CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000377036071 438299422 /nfs/dbraw/zinc/29/94/22/438299422.db2.gz WQOVCHWUVKDWHI-ZDUSSCGKSA-N 1 2 344.419 0.748 20 30 ECEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@H]2OCC(=O)N[C@H]2C1)c1ccccc1 ZINC000377394327 438308841 /nfs/dbraw/zinc/30/88/41/438308841.db2.gz XAFZMTRARWRPFY-JKSUJKDBSA-N 1 2 342.399 0.523 20 30 ECEDLO N#CCCN(C(=O)C[N@H+]1CC[C@H]2OCC(=O)N[C@H]2C1)c1ccccc1 ZINC000377394327 438308844 /nfs/dbraw/zinc/30/88/44/438308844.db2.gz XAFZMTRARWRPFY-JKSUJKDBSA-N 1 2 342.399 0.523 20 30 ECEDLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)Oc2ccccc2C#N)CC1 ZINC000368837896 438390104 /nfs/dbraw/zinc/39/01/04/438390104.db2.gz IHWFDTOXRSTXTQ-AWEZNQCLSA-N 1 2 344.415 0.606 20 30 ECEDLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)Oc2ccccc2C#N)CC1 ZINC000368837896 438390105 /nfs/dbraw/zinc/39/01/05/438390105.db2.gz IHWFDTOXRSTXTQ-AWEZNQCLSA-N 1 2 344.415 0.606 20 30 ECEDLO C#CCNS(=O)(=O)c1ccc(C(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000378116882 438350982 /nfs/dbraw/zinc/35/09/82/438350982.db2.gz LXAVSTOLKCWNJP-UHFFFAOYSA-N 1 2 344.396 0.451 20 30 ECEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000369221367 438441178 /nfs/dbraw/zinc/44/11/78/438441178.db2.gz WZUBLKSEVMIBIY-OAHLLOKOSA-N 1 2 335.452 0.479 20 30 ECEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000369221367 438441183 /nfs/dbraw/zinc/44/11/83/438441183.db2.gz WZUBLKSEVMIBIY-OAHLLOKOSA-N 1 2 335.452 0.479 20 30 ECEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCO2)CC1)C1CC1 ZINC000368914188 438399888 /nfs/dbraw/zinc/39/98/88/438399888.db2.gz WUUZLJWUHXJZSM-CRAIPNDOSA-N 1 2 348.447 0.508 20 30 ECEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCO2)CC1)C1CC1 ZINC000368914188 438399891 /nfs/dbraw/zinc/39/98/91/438399891.db2.gz WUUZLJWUHXJZSM-CRAIPNDOSA-N 1 2 348.447 0.508 20 30 ECEDLO C=C(C)CN(C)C(=O)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000378567034 438403371 /nfs/dbraw/zinc/40/33/71/438403371.db2.gz HQQXXFSBWRHJHP-OAHLLOKOSA-N 1 2 338.452 0.527 20 30 ECEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000420449388 438409209 /nfs/dbraw/zinc/40/92/09/438409209.db2.gz XMJQRGZRDFZMNM-AWEZNQCLSA-N 1 2 327.381 0.889 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)CC(C)(C)CC#N)C[C@H]1[NH+]1CCOCC1 ZINC000408459308 438576155 /nfs/dbraw/zinc/57/61/55/438576155.db2.gz ICEOOKZWNRVEFG-UONOGXRCSA-N 1 2 329.466 0.909 20 30 ECEDLO Cc1nnc(N2CC[NH+](C3(C(N)=O)CCCC3)CC2)c(C#N)c1C ZINC000370233845 438563771 /nfs/dbraw/zinc/56/37/71/438563771.db2.gz SWFXHKSQIMGBGS-UHFFFAOYSA-N 1 2 328.420 0.885 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000410913449 438667612 /nfs/dbraw/zinc/66/76/12/438667612.db2.gz XHFQUVCGYDRTDI-HNNXBMFYSA-N 1 2 348.447 0.862 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453738245 438692642 /nfs/dbraw/zinc/69/26/42/438692642.db2.gz MTFBVYUABYGUKP-CQSZACIVSA-N 1 2 344.415 0.870 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2CCO)s1 ZINC000451673716 438705893 /nfs/dbraw/zinc/70/58/93/438705893.db2.gz VYYSZSDTJFOESJ-LLVKDONJSA-N 1 2 329.447 0.745 20 30 ECEDLO Cn1ncc2c1ncnc2N1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000555669738 438774926 /nfs/dbraw/zinc/77/49/26/438774926.db2.gz FXHCUFIFMNZUFB-UHFFFAOYSA-N 1 2 334.387 0.952 20 30 ECEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC1CCN(CC#N)CC1 ZINC000588132438 438820530 /nfs/dbraw/zinc/82/05/30/438820530.db2.gz YZKIYFNCRWANLY-HOCLYGCPSA-N 1 2 335.452 0.479 20 30 ECEDLO COC(=O)CN(CC[NH+]1CCOCC1)c1cc(C#N)nc(C2CC2)n1 ZINC000601138434 438824100 /nfs/dbraw/zinc/82/41/00/438824100.db2.gz SNMKFGCYQQPOPQ-UHFFFAOYSA-N 1 2 345.403 0.537 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@](O)(C3CC3)C2)nc1 ZINC000595749811 438855865 /nfs/dbraw/zinc/85/58/65/438855865.db2.gz KYRQEKKDHAFZLO-MRXNPFEDSA-N 1 2 335.429 0.964 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@](O)(C3CC3)C2)nc1 ZINC000595749811 438855868 /nfs/dbraw/zinc/85/58/68/438855868.db2.gz KYRQEKKDHAFZLO-MRXNPFEDSA-N 1 2 335.429 0.964 20 30 ECEDLO C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCCCn2cc[nH+]c2)C1=O ZINC000560308324 438838625 /nfs/dbraw/zinc/83/86/25/438838625.db2.gz JJVIEYQUYABIMQ-CQSZACIVSA-N 1 2 347.419 0.025 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000601454016 438900175 /nfs/dbraw/zinc/90/01/75/438900175.db2.gz ZXYCENRDKGENSD-MGPQQGTHSA-N 1 2 344.481 0.554 20 30 ECEDLO COC[C@@]1(C(=O)OC)CCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000595821853 438867231 /nfs/dbraw/zinc/86/72/31/438867231.db2.gz ZIIZGLZIPMTAGR-MAUKXSAKSA-N 1 2 348.399 0.952 20 30 ECEDLO COC[C@@]1(C(=O)OC)CCC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000595821853 438867236 /nfs/dbraw/zinc/86/72/36/438867236.db2.gz ZIIZGLZIPMTAGR-MAUKXSAKSA-N 1 2 348.399 0.952 20 30 ECEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 ZINC000601404785 438878741 /nfs/dbraw/zinc/87/87/41/438878741.db2.gz FSANAEQDECIJNT-ZBFHGGJFSA-N 1 2 335.429 0.796 20 30 ECEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 ZINC000601404785 438878746 /nfs/dbraw/zinc/87/87/46/438878746.db2.gz FSANAEQDECIJNT-ZBFHGGJFSA-N 1 2 335.429 0.796 20 30 ECEDLO N#CC1(NC(=O)C2CS(=O)(=O)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000601412434 438882004 /nfs/dbraw/zinc/88/20/04/438882004.db2.gz JFYLJNIXQRMNFG-UHFFFAOYSA-N 1 2 347.440 0.706 20 30 ECEDLO N#CCc1ccccc1S(=O)(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000601418521 438883652 /nfs/dbraw/zinc/88/36/52/438883652.db2.gz UUCMQJIFMYWQIK-UHFFFAOYSA-N 1 2 335.429 0.705 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000601424528 438889001 /nfs/dbraw/zinc/88/90/01/438889001.db2.gz LTKICOIKDSVFPE-UONOGXRCSA-N 1 2 330.454 0.262 20 30 ECEDLO Cc1cc(N(C)C[C@H](O)C[NH+]2CCOCC2)cc(C#N)c1[N+](=O)[O-] ZINC000596158777 438935373 /nfs/dbraw/zinc/93/53/73/438935373.db2.gz JWQTWNKJLBHAJO-HNNXBMFYSA-N 1 2 334.376 0.904 20 30 ECEDLO COc1c(N)[nH+]cnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000517040993 438948121 /nfs/dbraw/zinc/94/81/21/438948121.db2.gz APFVPQIILYCVBL-UHFFFAOYSA-N 1 2 328.380 0.308 20 30 ECEDLO COc1c(N)nc[nH+]c1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000517040993 438948128 /nfs/dbraw/zinc/94/81/28/438948128.db2.gz APFVPQIILYCVBL-UHFFFAOYSA-N 1 2 328.380 0.308 20 30 ECEDLO C[C@@H](O)CN(C)C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000590974748 438973691 /nfs/dbraw/zinc/97/36/91/438973691.db2.gz MMGAAAQCFJUEGQ-CQSZACIVSA-N 1 2 344.415 0.042 20 30 ECEDLO COCCN(CC#N)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000459536726 438974449 /nfs/dbraw/zinc/97/44/49/438974449.db2.gz BJAVMUVEFBZYRZ-UHFFFAOYSA-N 1 2 336.461 0.864 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000565785607 438978421 /nfs/dbraw/zinc/97/84/21/438978421.db2.gz AGPITDQFTNGEGR-NEPJUHHUSA-N 1 2 343.453 0.406 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccnn1C(F)F ZINC000597020184 439029536 /nfs/dbraw/zinc/02/95/36/439029536.db2.gz GTDGZIZXZXTLAT-UHFFFAOYSA-N 1 2 327.335 0.966 20 30 ECEDLO CO[C@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)[C@H]1CCOC1 ZINC000597023721 439030214 /nfs/dbraw/zinc/03/02/14/439030214.db2.gz ZKGXBJNJIPMIFU-GJZGRUSLSA-N 1 2 325.409 0.112 20 30 ECEDLO CS(=O)(=O)NCC[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000520590159 439089544 /nfs/dbraw/zinc/08/95/44/439089544.db2.gz UOZUJTWDSZRHOB-UHFFFAOYSA-N 1 2 338.389 0.980 20 30 ECEDLO CS(=O)(=O)NCC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000520590159 439089547 /nfs/dbraw/zinc/08/95/47/439089547.db2.gz UOZUJTWDSZRHOB-UHFFFAOYSA-N 1 2 338.389 0.980 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)cn1 ZINC000478909713 439108974 /nfs/dbraw/zinc/10/89/74/439108974.db2.gz XVHUZQRJUGTBJG-MRXNPFEDSA-N 1 2 330.388 0.517 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597362045 439085312 /nfs/dbraw/zinc/08/53/12/439085312.db2.gz WUCRUDIYIQOYOB-GFCCVEGCSA-N 1 2 339.342 0.602 20 30 ECEDLO Cc1cc(=O)n2nc(C[NH+]3C[C@@H](C)N(CC#N)[C@H](C)C3)sc2n1 ZINC000602857590 439143570 /nfs/dbraw/zinc/14/35/70/439143570.db2.gz TURBXRITSOSITF-VXGBXAGGSA-N 1 2 332.433 0.878 20 30 ECEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000602904628 439157382 /nfs/dbraw/zinc/15/73/82/439157382.db2.gz YYYMFCMRAXBBKN-ZDUSSCGKSA-N 1 2 346.416 0.941 20 30 ECEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000602904628 439157389 /nfs/dbraw/zinc/15/73/89/439157389.db2.gz YYYMFCMRAXBBKN-ZDUSSCGKSA-N 1 2 346.416 0.941 20 30 ECEDLO N#Cc1cnn(-c2ccccc2)c1NC[C@H](O)C[NH+]1CCOCC1 ZINC000603269601 439223656 /nfs/dbraw/zinc/22/36/56/439223656.db2.gz WEUBUPFAISXYNK-INIZCTEOSA-N 1 2 327.388 0.849 20 30 ECEDLO Cn1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1=O ZINC000603013906 439182460 /nfs/dbraw/zinc/18/24/60/439182460.db2.gz ASGBFJIDCDXPPX-UHFFFAOYSA-N 1 2 333.392 0.465 20 30 ECEDLO C=C[C@@H](C(=O)OC)n1cc(C[NH+]2CCC(C(=O)OCC)CC2)nn1 ZINC000603238403 439216047 /nfs/dbraw/zinc/21/60/47/439216047.db2.gz WWZBMVLDFOZCFW-AWEZNQCLSA-N 1 2 336.392 0.953 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnc(C3CC3)s2)CC1 ZINC000490650286 439281478 /nfs/dbraw/zinc/28/14/78/439281478.db2.gz MBMQMIAHYBBULR-UHFFFAOYSA-N 1 2 346.456 0.918 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnc(C3CC3)s2)CC1 ZINC000490650286 439281482 /nfs/dbraw/zinc/28/14/82/439281482.db2.gz MBMQMIAHYBBULR-UHFFFAOYSA-N 1 2 346.456 0.918 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](C)n2cccc2)CC1 ZINC000490649256 439281735 /nfs/dbraw/zinc/28/17/35/439281735.db2.gz GKLVATVLHMBUAO-MRXNPFEDSA-N 1 2 330.432 0.723 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](C)n2cccc2)CC1 ZINC000490649256 439281737 /nfs/dbraw/zinc/28/17/37/439281737.db2.gz GKLVATVLHMBUAO-MRXNPFEDSA-N 1 2 330.432 0.723 20 30 ECEDLO COC(=O)C[N@H+](CCN1CCOCC1)C[C@H](O)CC(C)(C)C#N ZINC000598592491 439281808 /nfs/dbraw/zinc/28/18/08/439281808.db2.gz KWOVHIPSXISOQW-CQSZACIVSA-N 1 2 327.425 0.094 20 30 ECEDLO COC(=O)C[N@@H+](CCN1CCOCC1)C[C@H](O)CC(C)(C)C#N ZINC000598592491 439281812 /nfs/dbraw/zinc/28/18/12/439281812.db2.gz KWOVHIPSXISOQW-CQSZACIVSA-N 1 2 327.425 0.094 20 30 ECEDLO COC(=O)CN(CC[NH+]1CCOCC1)C[C@H](O)CC(C)(C)C#N ZINC000598592491 439281817 /nfs/dbraw/zinc/28/18/17/439281817.db2.gz KWOVHIPSXISOQW-CQSZACIVSA-N 1 2 327.425 0.094 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)n2nc(C)cc2C)CC1 ZINC000490648796 439283265 /nfs/dbraw/zinc/28/32/65/439283265.db2.gz CKZXQGPRRBXCDV-INIZCTEOSA-N 1 2 345.447 0.345 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)n2nc(C)cc2C)CC1 ZINC000490648796 439283268 /nfs/dbraw/zinc/28/32/68/439283268.db2.gz CKZXQGPRRBXCDV-INIZCTEOSA-N 1 2 345.447 0.345 20 30 ECEDLO N#Cc1cn(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)nn1 ZINC000603332214 439240779 /nfs/dbraw/zinc/24/07/79/439240779.db2.gz ABFIPWRZEGPYQH-UHFFFAOYSA-N 1 2 326.360 0.621 20 30 ECEDLO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)CC(C)(C)C#N)[C@H](C(=O)OC)C1 ZINC000598602346 439284435 /nfs/dbraw/zinc/28/44/35/439284435.db2.gz IYGUMVDSWFBATC-UPJWGTAASA-N 1 2 326.393 0.714 20 30 ECEDLO COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@H](C(=O)OC)C1 ZINC000598602346 439284437 /nfs/dbraw/zinc/28/44/37/439284437.db2.gz IYGUMVDSWFBATC-UPJWGTAASA-N 1 2 326.393 0.714 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN[C@H](C(=O)OC(C)(C)C)C(C)C)CC1 ZINC000490939043 439316706 /nfs/dbraw/zinc/31/67/06/439316706.db2.gz ZMBPGPNOBBMXAA-INIZCTEOSA-N 1 2 337.464 0.720 20 30 ECEDLO C[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000604468285 439316822 /nfs/dbraw/zinc/31/68/22/439316822.db2.gz BXSYTUZCSBKKRN-GJZGRUSLSA-N 1 2 338.429 0.611 20 30 ECEDLO C[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000604468285 439316827 /nfs/dbraw/zinc/31/68/27/439316827.db2.gz BXSYTUZCSBKKRN-GJZGRUSLSA-N 1 2 338.429 0.611 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000598836420 439318854 /nfs/dbraw/zinc/31/88/54/439318854.db2.gz IQHNHRFPXIQHTI-WZRBSPASSA-N 1 2 337.342 0.930 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](CN2C(=O)N[C@@](CC)(C(C)C)C2=O)CC1 ZINC000491069392 439328880 /nfs/dbraw/zinc/32/88/80/439328880.db2.gz VSIKCSVTGBXTHK-SFHVURJKSA-N 1 2 348.447 0.762 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CC(=O)N(C)[C@H]2c2ccccc2)CC1 ZINC000491103717 439332898 /nfs/dbraw/zinc/33/28/98/439332898.db2.gz PPHOCTFURKNBNR-LJQANCHMSA-N 1 2 340.427 0.237 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCN(Cc3cscn3)CC2)CC1 ZINC000490739804 439294338 /nfs/dbraw/zinc/29/43/38/439294338.db2.gz GXRZRZZWPIHBKC-UHFFFAOYSA-N 1 2 347.488 0.038 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(C)Cc2nc([C@@H](C)OCC)no2)CC1 ZINC000490779188 439297599 /nfs/dbraw/zinc/29/75/99/439297599.db2.gz SFCKRFTVGQQAKP-CQSZACIVSA-N 1 2 349.435 0.376 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)N[C@@](C)(CC(C)C)C2=O)CC1 ZINC000490779453 439298034 /nfs/dbraw/zinc/29/80/34/439298034.db2.gz WJPGASHWESNXSN-KRWDZBQOSA-N 1 2 334.420 0.120 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2cc(Cl)ccc2C(N)=O)CC1 ZINC000490800968 439299590 /nfs/dbraw/zinc/29/95/90/439299590.db2.gz YRYBCILWINCJIE-UHFFFAOYSA-N 1 2 335.791 0.595 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2cc(OC)ccc2C(=O)OC)CC1 ZINC000490800855 439300152 /nfs/dbraw/zinc/30/01/52/439300152.db2.gz WSGRZLGKWMJYFK-UHFFFAOYSA-N 1 2 346.383 0.638 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CON=C2CCOc3ccccc32)CC1 ZINC000490799179 439300315 /nfs/dbraw/zinc/30/03/15/439300315.db2.gz CVGGQWUXGHZESF-UHFFFAOYSA-N 1 2 327.384 0.967 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCC(=O)[C@@H](C)C2)CC1 ZINC000490899889 439309927 /nfs/dbraw/zinc/30/99/27/439309927.db2.gz QVNICMSUKULMRX-GJZGRUSLSA-N 1 2 333.432 0.275 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC(=O)[C@@H](C)C2)CC1 ZINC000490899889 439309931 /nfs/dbraw/zinc/30/99/31/439309931.db2.gz QVNICMSUKULMRX-GJZGRUSLSA-N 1 2 333.432 0.275 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CCOCC(F)(F)C(F)F)CC1 ZINC000491277049 439360968 /nfs/dbraw/zinc/36/09/68/439360968.db2.gz MGGFOVXOYRRMSJ-UHFFFAOYSA-N 1 2 339.333 0.270 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](CN2C(=O)c3ccccc3C2=O)CC1 ZINC000491201794 439349126 /nfs/dbraw/zinc/34/91/26/439349126.db2.gz JQTZURTXKILURM-UHFFFAOYSA-N 1 2 325.368 0.702 20 30 ECEDLO C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000491251868 439356073 /nfs/dbraw/zinc/35/60/73/439356073.db2.gz CSUPCUYNNIZIAD-CQSZACIVSA-N 1 2 329.400 0.937 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cnc3c(C)csc3c2=O)CC1 ZINC000491371221 439373826 /nfs/dbraw/zinc/37/38/26/439373826.db2.gz DEVNZEQTSWQOIF-UHFFFAOYSA-N 1 2 330.413 0.544 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCn1ncc(=O)c2ccccc21 ZINC000569977794 439379898 /nfs/dbraw/zinc/37/98/98/439379898.db2.gz PPKGPDYOTYVMIN-KRWDZBQOSA-N 1 2 327.388 0.747 20 30 ECEDLO N#C[C@]1(F)CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)C1 ZINC000599224912 439390221 /nfs/dbraw/zinc/39/02/21/439390221.db2.gz BZJZIXZXTULELT-NVXWUHKLSA-N 1 2 347.394 0.930 20 30 ECEDLO N#C[C@]1(F)CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)C1 ZINC000599224912 439390224 /nfs/dbraw/zinc/39/02/24/439390224.db2.gz BZJZIXZXTULELT-NVXWUHKLSA-N 1 2 347.394 0.930 20 30 ECEDLO Cc1cc(NC(=O)C[N@H+](C)C[C@@H](O)COc2ccccc2C#N)no1 ZINC000599261424 439403452 /nfs/dbraw/zinc/40/34/52/439403452.db2.gz RAHMPJZVMMQALQ-CQSZACIVSA-N 1 2 344.371 1.165 20 30 ECEDLO Cc1cc(NC(=O)C[N@@H+](C)C[C@@H](O)COc2ccccc2C#N)no1 ZINC000599261424 439403457 /nfs/dbraw/zinc/40/34/57/439403457.db2.gz RAHMPJZVMMQALQ-CQSZACIVSA-N 1 2 344.371 1.165 20 30 ECEDLO CCOC(=O)C[C@@H](O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000599260814 439403736 /nfs/dbraw/zinc/40/37/36/439403736.db2.gz GEFWTEZSUPJIOH-QGZVFWFLSA-N 1 2 331.416 0.990 20 30 ECEDLO CCOC(=O)C[C@@H](O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000599260814 439403745 /nfs/dbraw/zinc/40/37/45/439403745.db2.gz GEFWTEZSUPJIOH-QGZVFWFLSA-N 1 2 331.416 0.990 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000491615165 439409985 /nfs/dbraw/zinc/40/99/85/439409985.db2.gz BPJZGSJEDQLYDY-UHFFFAOYSA-N 1 2 346.387 0.470 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCn1cnc2ccccc2c1=O ZINC000570340888 439411908 /nfs/dbraw/zinc/41/19/08/439411908.db2.gz LUTBPIVRSLKBOG-QGZVFWFLSA-N 1 2 327.388 0.747 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](CN2C(=O)C[C@]3(CCSC3)C2=O)CC1 ZINC000491622996 439413388 /nfs/dbraw/zinc/41/33/88/439413388.db2.gz HNGVXGYNMAKQEU-KRWDZBQOSA-N 1 2 349.456 0.288 20 30 ECEDLO C#CCn1ccc(C[N@@H+](CCCS(=O)(=O)N(C)C)CCOC)n1 ZINC000491639916 439416577 /nfs/dbraw/zinc/41/65/77/439416577.db2.gz ZXCDECNBIDFDLR-UHFFFAOYSA-N 1 2 342.465 0.246 20 30 ECEDLO C#CCn1ccc(C[N@H+](CCCS(=O)(=O)N(C)C)CCOC)n1 ZINC000491639916 439416580 /nfs/dbraw/zinc/41/65/80/439416580.db2.gz ZXCDECNBIDFDLR-UHFFFAOYSA-N 1 2 342.465 0.246 20 30 ECEDLO C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000599293585 439421452 /nfs/dbraw/zinc/42/14/52/439421452.db2.gz ZZSUVYXQKYPTKJ-TZMCWYRMSA-N 1 2 326.418 0.663 20 30 ECEDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000599293585 439421455 /nfs/dbraw/zinc/42/14/55/439421455.db2.gz ZZSUVYXQKYPTKJ-TZMCWYRMSA-N 1 2 326.418 0.663 20 30 ECEDLO C#CCn1ccc(CN(CCOC)C(=O)NCCCn2cc[nH+]c2)n1 ZINC000491658461 439421741 /nfs/dbraw/zinc/42/17/41/439421741.db2.gz WGWUCZVHVOKFHV-UHFFFAOYSA-N 1 2 344.419 0.961 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](Cc2cccc(C(=O)OC)c2)CC1 ZINC000491675973 439426423 /nfs/dbraw/zinc/42/64/23/439426423.db2.gz NFHFGUGCEFGFQX-UHFFFAOYSA-N 1 2 329.400 0.340 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCC=C(Br)C2)CC1 ZINC000491731020 439436613 /nfs/dbraw/zinc/43/66/13/439436613.db2.gz KBYUHZWJSATKPA-UHFFFAOYSA-N 1 2 326.238 0.748 20 30 ECEDLO C#CCn1ccc(C[N@H+](CCOC)CCn2ccc([N+](=O)[O-])n2)n1 ZINC000491746391 439440100 /nfs/dbraw/zinc/44/01/00/439440100.db2.gz ZXRLWRXXILMFCR-UHFFFAOYSA-N 1 2 332.364 0.770 20 30 ECEDLO C#CCn1ccc(C[N@@H+](CCOC)CCn2ccc([N+](=O)[O-])n2)n1 ZINC000491746391 439440106 /nfs/dbraw/zinc/44/01/06/439440106.db2.gz ZXRLWRXXILMFCR-UHFFFAOYSA-N 1 2 332.364 0.770 20 30 ECEDLO CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(C#N)n1 ZINC000570840971 439455878 /nfs/dbraw/zinc/45/58/78/439455878.db2.gz OFHZZNDYUFRUSX-UHFFFAOYSA-N 1 2 331.376 0.119 20 30 ECEDLO CC1(C)COCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(C#N)n1 ZINC000570840971 439455881 /nfs/dbraw/zinc/45/58/81/439455881.db2.gz OFHZZNDYUFRUSX-UHFFFAOYSA-N 1 2 331.376 0.119 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000599354466 439443774 /nfs/dbraw/zinc/44/37/74/439443774.db2.gz WRSPMYVVEGNZTL-PMPSAXMXSA-N 1 2 348.399 0.950 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000599354466 439443779 /nfs/dbraw/zinc/44/37/79/439443779.db2.gz WRSPMYVVEGNZTL-PMPSAXMXSA-N 1 2 348.399 0.950 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000599354465 439445578 /nfs/dbraw/zinc/44/55/78/439445578.db2.gz WRSPMYVVEGNZTL-OAGGEKHMSA-N 1 2 348.399 0.950 20 30 ECEDLO CC(C)[C@@H](C)NC(=O)Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000570740010 439445574 /nfs/dbraw/zinc/44/55/74/439445574.db2.gz HETYLLGKVHAPFT-CQSZACIVSA-N 1 2 346.431 0.713 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000599354465 439445581 /nfs/dbraw/zinc/44/55/81/439445581.db2.gz WRSPMYVVEGNZTL-OAGGEKHMSA-N 1 2 348.399 0.950 20 30 ECEDLO C#C[C@H](C)N(C)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000491794931 439450697 /nfs/dbraw/zinc/45/06/97/439450697.db2.gz TZYFURNNCVPHAJ-HNNXBMFYSA-N 1 2 328.416 0.991 20 30 ECEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000599450537 439473979 /nfs/dbraw/zinc/47/39/79/439473979.db2.gz JGEUMMQSMYPYIB-XCMOZONUSA-N 1 2 328.393 0.491 20 30 ECEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000599450537 439473982 /nfs/dbraw/zinc/47/39/82/439473982.db2.gz JGEUMMQSMYPYIB-XCMOZONUSA-N 1 2 328.393 0.491 20 30 ECEDLO N#Cc1c2c(cn(C[N@H+]3CC[C@@H]4NC(=O)OC[C@H]4C3)c1=O)CCC2 ZINC000491919445 439474468 /nfs/dbraw/zinc/47/44/68/439474468.db2.gz NHVIKOFTZHEYRD-DOMZBBRYSA-N 1 2 328.372 0.596 20 30 ECEDLO N#Cc1c2c(cn(C[N@@H+]3CC[C@@H]4NC(=O)OC[C@H]4C3)c1=O)CCC2 ZINC000491919445 439474473 /nfs/dbraw/zinc/47/44/73/439474473.db2.gz NHVIKOFTZHEYRD-DOMZBBRYSA-N 1 2 328.372 0.596 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000533086995 439522593 /nfs/dbraw/zinc/52/25/93/439522593.db2.gz SPIBEIWLNRGFAL-OUCADQQQSA-N 1 2 330.454 0.053 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000533086995 439522595 /nfs/dbraw/zinc/52/25/95/439522595.db2.gz SPIBEIWLNRGFAL-OUCADQQQSA-N 1 2 330.454 0.053 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CCN2CC[NH+](CCCF)CC2)nc1 ZINC000599669625 439534206 /nfs/dbraw/zinc/53/42/06/439534206.db2.gz MNZWKHHLWZAMRF-UHFFFAOYSA-N 1 2 340.424 0.704 20 30 ECEDLO N#Cc1ccc2c(c1)CN(S(=O)(=O)CCC[NH+]1CCOCC1)C2 ZINC000594479773 439567980 /nfs/dbraw/zinc/56/79/80/439567980.db2.gz FVSZXRGBFOJXNJ-UHFFFAOYSA-N 1 2 335.429 0.926 20 30 ECEDLO C=CCN(CCC#N)C(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C ZINC000599962838 439586178 /nfs/dbraw/zinc/58/61/78/439586178.db2.gz UZBSJMCSZQHXRG-GJZGRUSLSA-N 1 2 345.403 0.637 20 30 ECEDLO Cc1c(C#N)cccc1NC(=O)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000610903898 439655748 /nfs/dbraw/zinc/65/57/48/439655748.db2.gz BSQWTOHGQYYWTA-LBPRGKRZSA-N 1 2 330.388 0.642 20 30 ECEDLO Cc1c(C#N)cccc1NC(=O)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000610903898 439655751 /nfs/dbraw/zinc/65/57/51/439655751.db2.gz BSQWTOHGQYYWTA-LBPRGKRZSA-N 1 2 330.388 0.642 20 30 ECEDLO N#Cc1ccc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1F ZINC000595155200 439663030 /nfs/dbraw/zinc/66/30/30/439663030.db2.gz RQRWYUWUKORJOW-AWEZNQCLSA-N 1 2 346.362 0.569 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)s1 ZINC000610522137 439623890 /nfs/dbraw/zinc/62/38/90/439623890.db2.gz PYQGVNQNYLCYQZ-GFCCVEGCSA-N 1 2 348.428 0.283 20 30 ECEDLO CC(C)(C)CNC(=O)Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000600557967 439677154 /nfs/dbraw/zinc/67/71/54/439677154.db2.gz DSZUAXAXYLURPR-UHFFFAOYSA-N 1 2 346.431 0.714 20 30 ECEDLO C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611174683 439677968 /nfs/dbraw/zinc/67/79/68/439677968.db2.gz ORWUBYZQBGALBP-GJZGRUSLSA-N 1 2 335.452 0.922 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cnc2[nH]cnc2c1 ZINC000611208460 439679200 /nfs/dbraw/zinc/67/92/00/439679200.db2.gz MCZOFEUTKFBJKU-UHFFFAOYSA-N 1 2 328.376 0.646 20 30 ECEDLO CNC(=O)N[C@H]1CC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000613500596 439757906 /nfs/dbraw/zinc/75/79/06/439757906.db2.gz KDWYZBCUAGTGHB-NWDGAFQWSA-N 1 2 333.417 0.728 20 30 ECEDLO CNC(=O)N[C@H]1CC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000613500596 439757907 /nfs/dbraw/zinc/75/79/07/439757907.db2.gz KDWYZBCUAGTGHB-NWDGAFQWSA-N 1 2 333.417 0.728 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000613498892 439758034 /nfs/dbraw/zinc/75/80/34/439758034.db2.gz GUYSAAKACGBUDL-HNNXBMFYSA-N 1 2 331.420 0.905 20 30 ECEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000614919267 439790115 /nfs/dbraw/zinc/79/01/15/439790115.db2.gz AXMHAKYPUUADJK-UAGQMJEPSA-N 1 2 348.399 0.491 20 30 ECEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000614919267 439790116 /nfs/dbraw/zinc/79/01/16/439790116.db2.gz AXMHAKYPUUADJK-UAGQMJEPSA-N 1 2 348.399 0.491 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[NH+](CCc3ccncc3)CC2)nn1 ZINC000636293513 439859412 /nfs/dbraw/zinc/85/94/12/439859412.db2.gz XQBTXORTUUVSNC-UHFFFAOYSA-N 1 2 326.404 0.860 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[NH+](CCc3cnccn3)CC2)nn1 ZINC000634508922 440663663 /nfs/dbraw/zinc/66/36/63/440663663.db2.gz RBLQOSNACYMLHZ-UHFFFAOYSA-N 1 2 341.419 0.645 20 30 ECEDLO CC#CC[C@H](CO)NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000646293488 441043389 /nfs/dbraw/zinc/04/33/89/441043389.db2.gz YWUWLUVABMRMAW-CQSZACIVSA-N 1 2 335.408 0.111 20 30 ECEDLO C=CCNS(=O)(=O)c1ccccc1NCC[NH+]1CCOCC1 ZINC000641252030 441082427 /nfs/dbraw/zinc/08/24/27/441082427.db2.gz FOLFGBPWQZAIMD-UHFFFAOYSA-N 1 2 325.434 0.895 20 30 ECEDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1ccc(C#N)cn1)C2 ZINC000560489429 322244489 /nfs/dbraw/zinc/24/44/89/322244489.db2.gz TXZLLVJYVOBMPF-ZDUSSCGKSA-N 1 2 325.372 0.738 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2ncncc2C#N)CC1 ZINC000563040010 322294101 /nfs/dbraw/zinc/29/41/01/322294101.db2.gz ZDXOCHRIJBJSAH-ZDUSSCGKSA-N 1 2 332.408 0.011 20 30 ECEDLO N#Cc1cc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c[nH]1 ZINC000181197166 534771008 /nfs/dbraw/zinc/77/10/08/534771008.db2.gz MCZVTLROAHNUEJ-UHFFFAOYSA-N 1 2 329.404 0.657 20 30 ECEDLO N#Cc1cc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c[nH]1 ZINC000181197166 534771014 /nfs/dbraw/zinc/77/10/14/534771014.db2.gz MCZVTLROAHNUEJ-UHFFFAOYSA-N 1 2 329.404 0.657 20 30 ECEDLO C#CCOc1ccccc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000187761261 527129626 /nfs/dbraw/zinc/12/96/26/527129626.db2.gz LKJTVKRWTNRQPC-UHFFFAOYSA-N 1 2 327.384 0.944 20 30 ECEDLO CC[N@H+](CCO)CCNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000184339403 528552171 /nfs/dbraw/zinc/55/21/71/528552171.db2.gz AQDSNBBHQRNROD-UHFFFAOYSA-N 1 2 333.360 0.429 20 30 ECEDLO CC[N@@H+](CCO)CCNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000184339403 528552176 /nfs/dbraw/zinc/55/21/76/528552176.db2.gz AQDSNBBHQRNROD-UHFFFAOYSA-N 1 2 333.360 0.429 20 30 ECEDLO CC1(C)COCC[N@@H+]1CCNC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000178111681 529131556 /nfs/dbraw/zinc/13/15/56/529131556.db2.gz KDBCBYVHSSEJFT-UHFFFAOYSA-N 1 2 330.384 0.994 20 30 ECEDLO CC1(C)COCC[N@H+]1CCNC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000178111681 529131557 /nfs/dbraw/zinc/13/15/57/529131557.db2.gz KDBCBYVHSSEJFT-UHFFFAOYSA-N 1 2 330.384 0.994 20 30 ECEDLO CO[C@H]1C[C@@H](C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)[N@H+](C)C1 ZINC000329025942 546011852 /nfs/dbraw/zinc/01/18/52/546011852.db2.gz JQMOIXVCDQIDKE-KBPBESRZSA-N 1 2 340.387 1.105 20 30 ECEDLO CO[C@H]1C[C@@H](C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)[N@@H+](C)C1 ZINC000329025942 546011856 /nfs/dbraw/zinc/01/18/56/546011856.db2.gz JQMOIXVCDQIDKE-KBPBESRZSA-N 1 2 340.387 1.105 20 30 ECEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000329082306 546013737 /nfs/dbraw/zinc/01/37/37/546013737.db2.gz DOLLGRUCBPZEQK-LBPRGKRZSA-N 1 2 338.408 0.733 20 30 ECEDLO C[C@H]1COCC[N@H+]1CCNC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000329082306 546013742 /nfs/dbraw/zinc/01/37/42/546013742.db2.gz DOLLGRUCBPZEQK-LBPRGKRZSA-N 1 2 338.408 0.733 20 30 ECEDLO O=C(CN1CCOCC1=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000329870630 546035749 /nfs/dbraw/zinc/03/57/49/546035749.db2.gz BUDFVSZXBJHNGE-UHFFFAOYSA-N 1 2 333.388 0.966 20 30 ECEDLO C[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000330110859 546038910 /nfs/dbraw/zinc/03/89/10/546038910.db2.gz QURTWPQEVOSURB-ZNMIVQPWSA-N 1 2 339.436 0.691 20 30 ECEDLO C=CC[N@@H+](C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000440290414 546229315 /nfs/dbraw/zinc/22/93/15/546229315.db2.gz BQWVXCGQPFJHEI-QKPAOTATSA-N 1 2 346.493 0.132 20 30 ECEDLO C=CC[N@H+](C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000440290414 546229320 /nfs/dbraw/zinc/22/93/20/546229320.db2.gz BQWVXCGQPFJHEI-QKPAOTATSA-N 1 2 346.493 0.132 20 30 ECEDLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)c2cccc(CC#N)c2)CC1 ZINC000619485663 546333036 /nfs/dbraw/zinc/33/30/36/546333036.db2.gz UTBDCOOYJVUSAH-UHFFFAOYSA-N 1 2 337.445 0.830 20 30 ECEDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 ZINC000619712681 546361523 /nfs/dbraw/zinc/36/15/23/546361523.db2.gz CEYOPWDFBJPTMO-DZGCQCFKSA-N 1 2 336.417 0.232 20 30 ECEDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 ZINC000619712681 546361526 /nfs/dbraw/zinc/36/15/26/546361526.db2.gz CEYOPWDFBJPTMO-DZGCQCFKSA-N 1 2 336.417 0.232 20 30 ECEDLO C=CCOCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000623870674 546851846 /nfs/dbraw/zinc/85/18/46/546851846.db2.gz IXYMMDYUDQLRJE-MRXNPFEDSA-N 1 2 334.420 0.784 20 30 ECEDLO C=CCOCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000623870674 546851853 /nfs/dbraw/zinc/85/18/53/546851853.db2.gz IXYMMDYUDQLRJE-MRXNPFEDSA-N 1 2 334.420 0.784 20 30 ECEDLO C=CC(C)(C)CCNC(=O)C(=O)N1CC[NH+](CCOCC)CC1 ZINC000625386355 547086426 /nfs/dbraw/zinc/08/64/26/547086426.db2.gz BJEHPJLEZVTEOY-UHFFFAOYSA-N 1 2 325.453 0.886 20 30 ECEDLO C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)Cc1n[nH]c(=O)o1 ZINC000625483591 547116870 /nfs/dbraw/zinc/11/68/70/547116870.db2.gz KNDFFQQBDMKBIN-UHFFFAOYSA-N 1 2 326.312 0.507 20 30 ECEDLO C[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)Cc1n[nH]c(=O)o1 ZINC000625483591 547116877 /nfs/dbraw/zinc/11/68/77/547116877.db2.gz KNDFFQQBDMKBIN-UHFFFAOYSA-N 1 2 326.312 0.507 20 30 ECEDLO C=CC[NH+]1CCC(NC(=O)c2nc(S(C)(=O)=O)ncc2C)CC1 ZINC000668369303 547636533 /nfs/dbraw/zinc/63/65/33/547636533.db2.gz UJVMDEXQCXBSPR-UHFFFAOYSA-N 1 2 338.433 0.569 20 30 ECEDLO C=CCn1c(-c2cn(C)nn2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000669039693 547818030 /nfs/dbraw/zinc/81/80/30/547818030.db2.gz FIWJQPOUQOYBGW-UHFFFAOYSA-N 1 2 332.412 0.028 20 30 ECEDLO C=C(C)Cn1c(COC)nnc1N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000670219473 547985638 /nfs/dbraw/zinc/98/56/38/547985638.db2.gz JPDYYCGIUCRZBY-UHFFFAOYSA-N 1 2 348.451 0.401 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cnc(C)s3)C[C@H]2O)cn1 ZINC001078032299 782180079 /nfs/dbraw/zinc/18/00/79/782180079.db2.gz HILLGHAGDAHXTI-HZPDHXFCSA-N 1 2 342.424 0.803 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cnc(C)s3)C[C@H]2O)cn1 ZINC001078032299 782180085 /nfs/dbraw/zinc/18/00/85/782180085.db2.gz HILLGHAGDAHXTI-HZPDHXFCSA-N 1 2 342.424 0.803 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(COC)n2C[C@@H]2CCCCO2)CC1 ZINC000752847863 579391475 /nfs/dbraw/zinc/39/14/75/579391475.db2.gz HVTCAAKQJBWCLW-HNNXBMFYSA-N 1 2 333.436 0.749 20 30 ECEDLO N#CCn1c(CN2CC[N@@H+]3CCOC[C@H]3C2)nc2ccccc2c1=O ZINC000755208364 579430813 /nfs/dbraw/zinc/43/08/13/579430813.db2.gz ORQNJINGHOMXQJ-CQSZACIVSA-N 1 2 339.399 0.436 20 30 ECEDLO N#CCn1c(CN2CC[N@H+]3CCOC[C@H]3C2)nc2ccccc2c1=O ZINC000755208364 579430815 /nfs/dbraw/zinc/43/08/15/579430815.db2.gz ORQNJINGHOMXQJ-CQSZACIVSA-N 1 2 339.399 0.436 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@](C)(O)CN2Cc3ccccc3C2=O)CC1 ZINC000756829076 579454869 /nfs/dbraw/zinc/45/48/69/579454869.db2.gz IGSWKYHECDCPFD-IBGZPJMESA-N 1 2 341.411 0.171 20 30 ECEDLO CNC(=O)CNC(=S)N[NH+]=Cc1ccccc1N1CCOCC1 ZINC000731926723 578317550 /nfs/dbraw/zinc/31/75/50/578317550.db2.gz COMOMKQBYIEOCY-UHFFFAOYSA-N 1 2 335.433 0.067 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2(C(F)(F)F)CC2)CC1 ZINC000733150270 578332856 /nfs/dbraw/zinc/33/28/56/578332856.db2.gz GGEYZSMMKUWBNP-UHFFFAOYSA-N 1 2 331.338 0.613 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(C(F)(F)F)CC2)CC1 ZINC000733150270 578332858 /nfs/dbraw/zinc/33/28/58/578332858.db2.gz GGEYZSMMKUWBNP-UHFFFAOYSA-N 1 2 331.338 0.613 20 30 ECEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)c1ccnc(F)c1 ZINC000794869231 578600741 /nfs/dbraw/zinc/60/07/41/578600741.db2.gz UUVUDJQVTPPQEM-UHFFFAOYSA-N 1 2 325.413 0.741 20 30 ECEDLO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]NC(=S)NCC(N)=O ZINC000794910083 578601119 /nfs/dbraw/zinc/60/11/19/578601119.db2.gz XTBFTZKWLLYEMU-UHFFFAOYSA-N 1 2 331.405 0.046 20 30 ECEDLO N#CCCNC(=O)C[N@@H+]1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 ZINC000796549942 578625824 /nfs/dbraw/zinc/62/58/24/578625824.db2.gz QWJIAYSIXMXGJU-KGLIPLIRSA-N 1 2 338.408 0.386 20 30 ECEDLO N#CCCNC(=O)C[N@H+]1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 ZINC000796549942 578625825 /nfs/dbraw/zinc/62/58/25/578625825.db2.gz QWJIAYSIXMXGJU-KGLIPLIRSA-N 1 2 338.408 0.386 20 30 ECEDLO N#Cc1ccc(CNC(=O)CON=C(N)C[NH+]2CCSCC2)cc1 ZINC000780127705 578689046 /nfs/dbraw/zinc/68/90/46/578689046.db2.gz JJXMECCTDCNNSY-UHFFFAOYSA-N 1 2 347.444 0.722 20 30 ECEDLO C#C[C@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000784847682 578758413 /nfs/dbraw/zinc/75/84/13/578758413.db2.gz BOXZJQLUKNSATA-ZDUSSCGKSA-N 1 2 342.399 0.151 20 30 ECEDLO Nc1nc(Cl)c(C=[NH+]OC[C@@H]2CCOC2)c(N2CCOCC2)n1 ZINC000788032937 578826099 /nfs/dbraw/zinc/82/60/99/578826099.db2.gz YHPUQTNIRKVYBA-SNVBAGLBSA-N 1 2 341.799 0.936 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(CCC)[C@H](CC)C(=O)OCC)CC1 ZINC000792374754 578906440 /nfs/dbraw/zinc/90/64/40/578906440.db2.gz CSYRNVMKIATWQK-MRXNPFEDSA-N 1 2 337.464 0.818 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+](CCC)[C@H](CC)C(=O)OCC)CC1 ZINC000792374754 578906441 /nfs/dbraw/zinc/90/64/41/578906441.db2.gz CSYRNVMKIATWQK-MRXNPFEDSA-N 1 2 337.464 0.818 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+](CCC)[C@H](CC)C(=O)OCC)CC1 ZINC000792374754 578906442 /nfs/dbraw/zinc/90/64/42/578906442.db2.gz CSYRNVMKIATWQK-MRXNPFEDSA-N 1 2 337.464 0.818 20 30 ECEDLO Cc1cc(S(=O)(=O)NC2CC[NH+](CC(N)=O)CC2)ccc1C#N ZINC000767464140 579109331 /nfs/dbraw/zinc/10/93/31/579109331.db2.gz MURHAFDOJBHNOO-UHFFFAOYSA-N 1 2 336.417 0.095 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCn1cc[nH+]c1 ZINC000772001903 579198832 /nfs/dbraw/zinc/19/88/32/579198832.db2.gz LGJCTKIEEFCVRB-GFCCVEGCSA-N 1 2 348.384 0.665 20 30 ECEDLO C#C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[C@H]1CCCO1 ZINC000773166996 579221635 /nfs/dbraw/zinc/22/16/35/579221635.db2.gz MYLWEQBIBPIGIO-HZPDHXFCSA-N 1 2 344.415 0.898 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1)[C@H]1CCCO1 ZINC000773786889 579233640 /nfs/dbraw/zinc/23/36/40/579233640.db2.gz HMBHGWJWCXMYMK-ZIAGYGMSSA-N 1 2 326.356 0.878 20 30 ECEDLO N#CCCNC(=O)C[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000774726922 579254839 /nfs/dbraw/zinc/25/48/39/579254839.db2.gz KEJHVOIOLFGJPD-UHFFFAOYSA-N 1 2 326.404 0.710 20 30 ECEDLO C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000775193105 579263944 /nfs/dbraw/zinc/26/39/44/579263944.db2.gz TVYHPZMBTFUGGY-GFCCVEGCSA-N 1 2 329.360 0.507 20 30 ECEDLO C#C[C@@H]([NH2+]Cc1nnc2n1c1ccccc1c(=O)n2C)[C@@H]1CCCO1 ZINC000775795590 579271601 /nfs/dbraw/zinc/27/16/01/579271601.db2.gz XWGPPFHWDFKWDR-HIFRSBDPSA-N 1 2 337.383 0.852 20 30 ECEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccccc2CC#N)CC1 ZINC000777302052 579296330 /nfs/dbraw/zinc/29/63/30/579296330.db2.gz JQGKXTKJAUBKHS-UHFFFAOYSA-N 1 2 342.443 0.966 20 30 ECEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccccc2CC#N)CC1 ZINC000777302052 579296332 /nfs/dbraw/zinc/29/63/32/579296332.db2.gz JQGKXTKJAUBKHS-UHFFFAOYSA-N 1 2 342.443 0.966 20 30 ECEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)COc1ccc(C#N)cc1 ZINC000779564058 579317930 /nfs/dbraw/zinc/31/79/30/579317930.db2.gz QLZZWEBXXWOVML-CQSZACIVSA-N 1 2 328.328 0.492 20 30 ECEDLO COC(=O)c1cn([C@@H]2CC[N@H+](Cn3cccc(C#N)c3=O)C2)nn1 ZINC000760543058 579512326 /nfs/dbraw/zinc/51/23/26/579512326.db2.gz XEAWSTNSFFIBCQ-GFCCVEGCSA-N 1 2 328.332 0.003 20 30 ECEDLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cn3cccc(C#N)c3=O)C2)nn1 ZINC000760543058 579512328 /nfs/dbraw/zinc/51/23/28/579512328.db2.gz XEAWSTNSFFIBCQ-GFCCVEGCSA-N 1 2 328.332 0.003 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC000761030216 579519739 /nfs/dbraw/zinc/51/97/39/579519739.db2.gz FDOQYNITSZLIOI-UHFFFAOYSA-N 1 2 343.399 0.593 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](C[C@H]2CC2(Cl)Cl)CC1 ZINC000761030652 579519804 /nfs/dbraw/zinc/51/98/04/579519804.db2.gz ZQYGNYXTDOSMLJ-SNVBAGLBSA-N 1 2 326.249 0.265 20 30 ECEDLO NC(=NOCC1(CO)COC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000761847695 579532398 /nfs/dbraw/zinc/53/23/98/579532398.db2.gz BLPHTRWRBGHXKY-UHFFFAOYSA-N 1 2 335.404 0.165 20 30 ECEDLO COCC#CCOC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000762854217 579550030 /nfs/dbraw/zinc/55/00/30/579550030.db2.gz VQQFQXGDKHOQFC-UHFFFAOYSA-N 1 2 345.399 0.703 20 30 ECEDLO O=C(NCCNC(=O)C1N=CC=CC1=O)Nc1ccc2[nH+]ccn2c1 ZINC000738948944 579658100 /nfs/dbraw/zinc/65/81/00/579658100.db2.gz JRNXOIIKYKIENW-PFONDFGASA-N 1 2 340.343 0.982 20 30 ECEDLO C[NH+](C)c1ccc(N2CCC(=NNC(=S)NCC(N)=O)CC2)cc1 ZINC000741463501 579774666 /nfs/dbraw/zinc/77/46/66/579774666.db2.gz CJANHJDJXHXLSJ-UHFFFAOYSA-N 1 2 348.476 0.658 20 30 ECEDLO CC1(C)C(=NNC(=S)NCC[NH+]2CCOCC2)[C@@H]2CCCO[C@@H]21 ZINC000743425830 579797819 /nfs/dbraw/zinc/79/78/19/579797819.db2.gz XYTNGZVBKMTRRQ-JSGCOSHPSA-N 1 2 340.493 0.974 20 30 ECEDLO O=C(CCNC(=O)C1N=CC=CC1=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000746210244 579832961 /nfs/dbraw/zinc/83/29/61/579832961.db2.gz NHLWORUBACGCAT-WUKNDPDISA-N 1 2 342.355 0.588 20 30 ECEDLO C#CCNC(=O)CO[NH+]=C(N)c1cc(Cl)c(OC)c(OC)c1 ZINC000747824289 579854983 /nfs/dbraw/zinc/85/49/83/579854983.db2.gz JKEMBCROGQJNOM-UHFFFAOYSA-N 1 2 325.752 0.953 20 30 ECEDLO C[C@@H]1C[C@H](C)CN(C(=O)CON=C(N)C[NH+]2CCSCC2)C1 ZINC000121460724 588934004 /nfs/dbraw/zinc/93/40/04/588934004.db2.gz RXDRTFZVVAMYRW-BETUJISGSA-N 1 2 328.482 0.829 20 30 ECEDLO CC(C)(CN=Nc1ccc(S(N)(=O)=O)cc1)[NH+]1CCOCC1 ZINC000841602119 588996135 /nfs/dbraw/zinc/99/61/35/588996135.db2.gz MMCRQXPPQAKDNQ-UHFFFAOYSA-N 1 2 326.422 0.843 20 30 ECEDLO C=C(Br)CNC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000804772948 586063937 /nfs/dbraw/zinc/06/39/37/586063937.db2.gz PESYJZOGZFFPJF-WDEREUQCSA-N 1 2 348.241 0.237 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3)C1 ZINC000891608187 586180913 /nfs/dbraw/zinc/18/09/13/586180913.db2.gz XTAFIGRSNXFXPE-CQSZACIVSA-N 1 2 340.383 0.334 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3)C1 ZINC000891608187 586180915 /nfs/dbraw/zinc/18/09/15/586180915.db2.gz XTAFIGRSNXFXPE-CQSZACIVSA-N 1 2 340.383 0.334 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(NC(C)=O)c2)C1 ZINC000891607143 586181661 /nfs/dbraw/zinc/18/16/61/586181661.db2.gz RAVFYHBYLHGEFW-INIZCTEOSA-N 1 2 342.399 0.797 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(NC(C)=O)c2)C1 ZINC000891607143 586181663 /nfs/dbraw/zinc/18/16/63/586181663.db2.gz RAVFYHBYLHGEFW-INIZCTEOSA-N 1 2 342.399 0.797 20 30 ECEDLO C=CCNC(=O)CN1CCN(c2cc(N[C@H](CC)CO)[nH+]cn2)CC1 ZINC000891617461 586182191 /nfs/dbraw/zinc/18/21/91/586182191.db2.gz WRDILWYPHIDOJV-CQSZACIVSA-N 1 2 348.451 0.084 20 30 ECEDLO C#CCSCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000895560921 586188915 /nfs/dbraw/zinc/18/89/15/586188915.db2.gz KLJVBZONXHIMAO-UHFFFAOYSA-N 1 2 330.417 0.378 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000895916017 586212641 /nfs/dbraw/zinc/21/26/41/586212641.db2.gz SQRYSLKRJMJHLH-DZGCQCFKSA-N 1 2 337.445 0.988 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2c(C)cccc2OC)CC1 ZINC000895922245 586213246 /nfs/dbraw/zinc/21/32/46/586213246.db2.gz STMMADIZNKXLMN-UHFFFAOYSA-N 1 2 337.445 0.589 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000896182811 586224959 /nfs/dbraw/zinc/22/49/59/586224959.db2.gz ZHXHGYVJNPKQCD-MQVJKMGUSA-N 1 2 349.500 0.944 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000896182811 586224962 /nfs/dbraw/zinc/22/49/62/586224962.db2.gz ZHXHGYVJNPKQCD-MQVJKMGUSA-N 1 2 349.500 0.944 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccn(CC(C)C)n2)CC1 ZINC000896180680 586225192 /nfs/dbraw/zinc/22/51/92/586225192.db2.gz DKNPGEVBNMIYII-UHFFFAOYSA-N 1 2 345.447 0.436 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccn(CC(C)C)n2)CC1 ZINC000896180680 586225193 /nfs/dbraw/zinc/22/51/93/586225193.db2.gz DKNPGEVBNMIYII-UHFFFAOYSA-N 1 2 345.447 0.436 20 30 ECEDLO Cc1c(C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)cnn1CCC#N ZINC000896204637 586226476 /nfs/dbraw/zinc/22/64/76/586226476.db2.gz BMLAHUKGXUDPLE-UHFFFAOYSA-N 1 2 341.419 0.797 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000896416822 586239905 /nfs/dbraw/zinc/23/99/05/586239905.db2.gz MOTLXHRCFLWSLS-MRXNPFEDSA-N 1 2 335.448 0.782 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000128431877 586314353 /nfs/dbraw/zinc/31/43/53/586314353.db2.gz WEAMJJZAKCDSID-UHFFFAOYSA-N 1 2 332.404 0.019 20 30 ECEDLO Cc1cc(C#N)cc(N2CC[NH+](C[C@H]3CCCS3(=O)=O)CC2)n1 ZINC000894752713 586409217 /nfs/dbraw/zinc/40/92/17/586409217.db2.gz FRWHQOVTNIWQDW-OAHLLOKOSA-N 1 2 334.445 0.961 20 30 ECEDLO Cc1nc(C#N)cc(N2CC[NH+](C[C@@H]3CCCS3(=O)=O)CC2)n1 ZINC000894752273 586409307 /nfs/dbraw/zinc/40/93/07/586409307.db2.gz BVTXCUCUCNDOHK-AWEZNQCLSA-N 1 2 335.433 0.356 20 30 ECEDLO C#CC1(O)CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCN(C)CC2)CC1 ZINC000899116431 586471397 /nfs/dbraw/zinc/47/13/97/586471397.db2.gz MMFOBXRBDGOZLK-GOSISDBHSA-N 1 2 341.455 0.962 20 30 ECEDLO C/C(=C/C(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C[NH+]1CCOCC1 ZINC000900481421 586635219 /nfs/dbraw/zinc/63/52/19/586635219.db2.gz YLFHRGICAODKNN-WBILKINKSA-N 1 2 334.464 0.957 20 30 ECEDLO CC(C)N1C(=O)C(=O)N(C[NH+]2CCC3(CC2)CC(=O)C=CO3)C1=O ZINC000902599764 586746963 /nfs/dbraw/zinc/74/69/63/586746963.db2.gz JLRVTFFQJOYNOV-UHFFFAOYSA-N 1 2 335.360 0.481 20 30 ECEDLO C#Cc1ccc(CNC(=O)N(CCO)CC[NH+]2CCOCC2)cc1 ZINC000838641690 586819264 /nfs/dbraw/zinc/81/92/64/586819264.db2.gz QIHGLLRGZFXWST-UHFFFAOYSA-N 1 2 331.416 0.504 20 30 ECEDLO C#CCN1C(=O)C[C@H]([N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1=O ZINC000905025172 586866103 /nfs/dbraw/zinc/86/61/03/586866103.db2.gz RGQFJRVTCLEVSN-STQMWFEESA-N 1 2 335.404 0.736 20 30 ECEDLO C#CCN1C(=O)C[C@H]([N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1=O ZINC000905025172 586866106 /nfs/dbraw/zinc/86/61/06/586866106.db2.gz RGQFJRVTCLEVSN-STQMWFEESA-N 1 2 335.404 0.736 20 30 ECEDLO Cc1oc(C#N)cc1C(=O)O[C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000805970601 586949537 /nfs/dbraw/zinc/94/95/37/586949537.db2.gz IIQGPOPZXSPOGU-LBPRGKRZSA-N 1 2 335.360 0.453 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000800939346 586977894 /nfs/dbraw/zinc/97/78/94/586977894.db2.gz WRGOHLWUKFDALN-ZDUSSCGKSA-N 1 2 341.437 0.635 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)cc(C)n2)CC1 ZINC000801151613 586983111 /nfs/dbraw/zinc/98/31/11/586983111.db2.gz VTVIESNUMSFVFM-UHFFFAOYSA-N 1 2 328.416 0.596 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)cc(C)n2)CC1 ZINC000801151613 586983112 /nfs/dbraw/zinc/98/31/12/586983112.db2.gz VTVIESNUMSFVFM-UHFFFAOYSA-N 1 2 328.416 0.596 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000906929663 586994900 /nfs/dbraw/zinc/99/49/00/586994900.db2.gz QVQJAEQNBCGTQT-AJTLQJAISA-N 1 2 335.448 0.858 20 30 ECEDLO C#CCN(C)C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000802577031 587022293 /nfs/dbraw/zinc/02/22/93/587022293.db2.gz CIIUKBVIXYTROY-UHFFFAOYSA-N 1 2 342.399 0.104 20 30 ECEDLO N#CC1(CS(=O)(=O)N2CC[NH+](CCc3ccncc3)CC2)CC1 ZINC000907343064 587034921 /nfs/dbraw/zinc/03/49/21/587034921.db2.gz FCOGAFICOVASNM-UHFFFAOYSA-N 1 2 334.445 0.875 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1 ZINC000807222330 587122236 /nfs/dbraw/zinc/12/22/36/587122236.db2.gz LYAONMRCKNNKPT-HNNXBMFYSA-N 1 2 337.383 0.717 20 30 ECEDLO COc1ccc(N[NH+]=Cc2c(=O)n(C)c(=O)n(C)c2N(C)C)cc1 ZINC000807978784 587140664 /nfs/dbraw/zinc/14/06/64/587140664.db2.gz CLSGJLOXILNFOC-UHFFFAOYSA-N 1 2 331.376 0.605 20 30 ECEDLO C#CCCS(=O)(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000808282087 587151917 /nfs/dbraw/zinc/15/19/17/587151917.db2.gz XLTDYUMOYNOYBN-UHFFFAOYSA-N 1 2 339.436 0.890 20 30 ECEDLO CN(C)c1[nH+]cc(C=NNS(=O)(=O)CCc2ccccc2)n1C ZINC000811643129 587222697 /nfs/dbraw/zinc/22/26/97/587222697.db2.gz UIGGUWAEXGSTPI-UHFFFAOYSA-N 1 2 335.433 0.982 20 30 ECEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)c1cc(N)ccc1F ZINC000814717289 587278948 /nfs/dbraw/zinc/27/89/48/587278948.db2.gz TURYIVDVVCYCAF-UHFFFAOYSA-N 1 2 339.440 0.928 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1nc2c(s1)CCC2 ZINC000814716632 587278957 /nfs/dbraw/zinc/27/89/57/587278957.db2.gz GLPYSRBOXRWBQN-UHFFFAOYSA-N 1 2 339.490 0.762 20 30 ECEDLO CCc1cnc(C=NNC(=S)NCC[NH+]2CCOCC2)s1 ZINC000814717120 587278995 /nfs/dbraw/zinc/27/89/95/587278995.db2.gz PERRQTVJPPTZFT-UHFFFAOYSA-N 1 2 327.479 0.836 20 30 ECEDLO C#CCNC(=O)CCN1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000815045111 587281715 /nfs/dbraw/zinc/28/17/15/587281715.db2.gz OCEWOTLJMCRDSO-QGZVFWFLSA-N 1 2 339.399 0.255 20 30 ECEDLO C#CC[C@@H](CO)NC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000816675099 587318998 /nfs/dbraw/zinc/31/89/98/587318998.db2.gz SJELWNGCNNYOQA-HNNXBMFYSA-N 1 2 332.400 0.562 20 30 ECEDLO C#CC[C@@H](CO)NC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000816675099 587319000 /nfs/dbraw/zinc/31/90/00/587319000.db2.gz SJELWNGCNNYOQA-HNNXBMFYSA-N 1 2 332.400 0.562 20 30 ECEDLO C[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1[nH]cc[nH+]1 ZINC000816719148 587321172 /nfs/dbraw/zinc/32/11/72/587321172.db2.gz RCOVIVDCIQDENF-SNVBAGLBSA-N 1 2 347.400 0.716 20 30 ECEDLO O=C(N[C@H]1CCCN(O)C1=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000816757276 587324144 /nfs/dbraw/zinc/32/41/44/587324144.db2.gz PGQXBZCFOBXHKY-NSHDSACASA-N 1 2 345.315 0.891 20 30 ECEDLO C#Cc1cccc(CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000817449079 587342011 /nfs/dbraw/zinc/34/20/11/587342011.db2.gz LWYTYPZNSUHQIP-AWEZNQCLSA-N 1 2 329.400 0.121 20 30 ECEDLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CCC#N ZINC000819266282 587474778 /nfs/dbraw/zinc/47/47/78/587474778.db2.gz BWUWIHOXADTQHN-UHFFFAOYSA-N 1 2 345.446 0.214 20 30 ECEDLO C=CCN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)[C@H](C)COC ZINC000824851020 587898297 /nfs/dbraw/zinc/89/82/97/587898297.db2.gz WNPRSLZZFZQLTQ-OAGGEKHMSA-N 1 2 326.437 0.916 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@@H+](CCC(=O)[O-])Cc2ccccc2)CC1 ZINC000825619894 587953613 /nfs/dbraw/zinc/95/36/13/587953613.db2.gz RDGVQAHITFZKNG-UHFFFAOYSA-N 1 2 343.427 0.741 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@H+](CCC(=O)[O-])Cc2ccccc2)CC1 ZINC000825619894 587953614 /nfs/dbraw/zinc/95/36/14/587953614.db2.gz RDGVQAHITFZKNG-UHFFFAOYSA-N 1 2 343.427 0.741 20 30 ECEDLO N#CC[C@@]1(O)CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000825709855 587957182 /nfs/dbraw/zinc/95/71/82/587957182.db2.gz UMMMAHYPORMMHD-MRXNPFEDSA-N 1 2 326.360 0.827 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)c2nc(C)cs2)CC1 ZINC000826549360 588069099 /nfs/dbraw/zinc/06/90/99/588069099.db2.gz FGAPGWCBUMZMSZ-AWEZNQCLSA-N 1 2 348.472 0.839 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)c2nc(C)cs2)CC1 ZINC000826549360 588069100 /nfs/dbraw/zinc/06/91/00/588069100.db2.gz FGAPGWCBUMZMSZ-AWEZNQCLSA-N 1 2 348.472 0.839 20 30 ECEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000829982794 588351936 /nfs/dbraw/zinc/35/19/36/588351936.db2.gz GNPKVJZDYJKQFP-SFHVURJKSA-N 1 2 344.415 0.812 20 30 ECEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000829982794 588351937 /nfs/dbraw/zinc/35/19/37/588351937.db2.gz GNPKVJZDYJKQFP-SFHVURJKSA-N 1 2 344.415 0.812 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000867372431 589123481 /nfs/dbraw/zinc/12/34/81/589123481.db2.gz HJGCGFAHWUPFGK-LLVKDONJSA-N 1 2 327.381 0.384 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000867372431 589123482 /nfs/dbraw/zinc/12/34/82/589123482.db2.gz HJGCGFAHWUPFGK-LLVKDONJSA-N 1 2 327.381 0.384 20 30 ECEDLO C#CCN(C(=O)Cc1cn2c([nH+]1)CCCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000845266830 589141197 /nfs/dbraw/zinc/14/11/97/589141197.db2.gz OHLHULWMGVAFHH-CQSZACIVSA-N 1 2 335.429 0.411 20 30 ECEDLO C#CCNC(=O)C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000845348851 589143658 /nfs/dbraw/zinc/14/36/58/589143658.db2.gz BSGJNXMELFYEIW-UHFFFAOYSA-N 1 2 328.416 0.750 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(NS(=O)(=O)NC)cc1 ZINC000847007847 589232780 /nfs/dbraw/zinc/23/27/80/589232780.db2.gz JYZSAUDXACUAKG-AWEZNQCLSA-N 1 2 336.417 0.599 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(NS(=O)(=O)NC)cc1 ZINC000847007847 589232781 /nfs/dbraw/zinc/23/27/81/589232781.db2.gz JYZSAUDXACUAKG-AWEZNQCLSA-N 1 2 336.417 0.599 20 30 ECEDLO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@]2(C(N)=O)CCOC2)cc1C ZINC000847052499 589234151 /nfs/dbraw/zinc/23/41/51/589234151.db2.gz MOMYXCNXMQHOMK-SFHVURJKSA-N 1 2 344.415 0.784 20 30 ECEDLO O=C(N[C@@H]1CCCN(O)C1=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000848133172 589279040 /nfs/dbraw/zinc/27/90/40/589279040.db2.gz UAMOOGNKNJPXPZ-CQSZACIVSA-N 1 2 334.376 0.024 20 30 ECEDLO C#C[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000848287639 589286900 /nfs/dbraw/zinc/28/69/00/589286900.db2.gz SVPXIWZXYYOZPN-HOTGVXAUSA-N 1 2 333.432 0.039 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CCC(=O)N2CCOc3ccccc32)CC1 ZINC000109364273 589368876 /nfs/dbraw/zinc/36/88/76/589368876.db2.gz LXYZDQBTJNARNJ-UHFFFAOYSA-N 1 2 341.411 0.970 20 30 ECEDLO C#CCCN(CCOC)C(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000850725219 589381959 /nfs/dbraw/zinc/38/19/59/589381959.db2.gz DAKRTEMAAVHMNU-UHFFFAOYSA-N 1 2 332.404 0.893 20 30 ECEDLO C#CCOCC[NH+]1CCN(S(=O)(=O)NCc2ccccc2)CC1 ZINC000852212018 589450894 /nfs/dbraw/zinc/45/08/94/589450894.db2.gz ZNSDUIUCHRSARX-UHFFFAOYSA-N 1 2 337.445 0.288 20 30 ECEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC000852329096 589491460 /nfs/dbraw/zinc/49/14/60/589491460.db2.gz TYZXWSJGGDJNCJ-KRWDZBQOSA-N 1 2 327.388 0.881 20 30 ECEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC000852329096 589491462 /nfs/dbraw/zinc/49/14/62/589491462.db2.gz TYZXWSJGGDJNCJ-KRWDZBQOSA-N 1 2 327.388 0.881 20 30 ECEDLO C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1 ZINC000857890868 589715650 /nfs/dbraw/zinc/71/56/50/589715650.db2.gz ONWVGHJAXNRENU-CYBMUJFWSA-N 1 2 344.396 0.149 20 30 ECEDLO C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c1 ZINC000857989041 589721917 /nfs/dbraw/zinc/72/19/17/589721917.db2.gz NGNTWYIXAGQBBZ-CQSZACIVSA-N 1 2 344.396 0.669 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+]C(c1ccnn1C)c1ccnn1C ZINC000860075573 589741707 /nfs/dbraw/zinc/74/17/07/589741707.db2.gz HFCIZFCQBGCLMK-QGZVFWFLSA-N 1 2 343.435 0.887 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+]C(c1ccnn1C)c1ccnn1C ZINC000860079678 589742625 /nfs/dbraw/zinc/74/26/25/589742625.db2.gz QKAPWYJIKRLQNS-CYBMUJFWSA-N 1 2 343.435 0.841 20 30 ECEDLO C#C[C@@H](CCC)NC(=O)[C@@H]1OCC(=O)N(CC)[C@H]1c1[nH+]ccn1C ZINC000861298366 589837515 /nfs/dbraw/zinc/83/75/15/589837515.db2.gz AMLFTRCFABZSRO-NWANDNLSSA-N 1 2 332.404 0.627 20 30 ECEDLO C#CC[C@@H](CO)NC(=O)c1ccc(NCC[NH+]2CCOCC2)c(F)c1 ZINC000868472926 589908497 /nfs/dbraw/zinc/90/84/97/589908497.db2.gz JPWNRMPCJFEKOY-HNNXBMFYSA-N 1 2 349.406 0.684 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000862196164 589930372 /nfs/dbraw/zinc/93/03/72/589930372.db2.gz FLDXAYVVDFHPGC-CYBMUJFWSA-N 1 2 328.372 0.975 20 30 ECEDLO COC(=O)CCC[NH+]1CCC(=NN[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000863130512 589990322 /nfs/dbraw/zinc/99/03/22/589990322.db2.gz PPMWSSMHZFYOAC-AWEZNQCLSA-N 1 2 345.465 0.558 20 30 ECEDLO C=CCOc1cccnc1C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870063201 589994495 /nfs/dbraw/zinc/99/44/95/589994495.db2.gz JNCQCALCNLLFHM-OAHLLOKOSA-N 1 2 347.415 0.820 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000863805827 590039730 /nfs/dbraw/zinc/03/97/30/590039730.db2.gz VTCJREGRUCJSBR-ZFWWWQNUSA-N 1 2 334.420 0.638 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000863805827 590039733 /nfs/dbraw/zinc/03/97/33/590039733.db2.gz VTCJREGRUCJSBR-ZFWWWQNUSA-N 1 2 334.420 0.638 20 30 ECEDLO COC(=O)CCN(CC#N)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000871344843 590060685 /nfs/dbraw/zinc/06/06/85/590060685.db2.gz YXBWKXMESIDYRH-UHFFFAOYSA-N 1 2 346.387 0.443 20 30 ECEDLO N#C[C@@H](c1ccccc1)N1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000864640837 590090177 /nfs/dbraw/zinc/09/01/77/590090177.db2.gz ZWPQJZXDRPTFMM-JKSUJKDBSA-N 1 2 325.372 0.852 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(c2ccnc(-c3nccs3)n2)CC1 ZINC000865505331 590147718 /nfs/dbraw/zinc/14/77/18/590147718.db2.gz CZGBKUFOZLJNOJ-UHFFFAOYSA-N 1 2 342.428 0.472 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000875085600 590269438 /nfs/dbraw/zinc/26/94/38/590269438.db2.gz GGUZQWRHSBVPIQ-CQSZACIVSA-N 1 2 332.404 0.033 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000875135231 590274701 /nfs/dbraw/zinc/27/47/01/590274701.db2.gz SSXBCVZOFVETFF-OAHLLOKOSA-N 1 2 340.383 0.643 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C)[C@@H]1CCCO1 ZINC000875322961 590292839 /nfs/dbraw/zinc/29/28/39/590292839.db2.gz DPUQOVYROOCHQJ-BBWFWOEESA-N 1 2 341.411 0.586 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C)[C@@H]1CCCO1 ZINC000875322961 590292841 /nfs/dbraw/zinc/29/28/41/590292841.db2.gz DPUQOVYROOCHQJ-BBWFWOEESA-N 1 2 341.411 0.586 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000875600061 590312934 /nfs/dbraw/zinc/31/29/34/590312934.db2.gz OTWZASCJUBYOIY-CQSZACIVSA-N 1 2 332.404 0.660 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000875599742 590312985 /nfs/dbraw/zinc/31/29/85/590312985.db2.gz MCLKPLKBZFVYIV-ZIAGYGMSSA-N 1 2 332.404 0.660 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000875604869 590314731 /nfs/dbraw/zinc/31/47/31/590314731.db2.gz TXRDFGIIFPGCDY-ZNMIVQPWSA-N 1 2 332.404 0.447 20 30 ECEDLO CCOC(=O)CN(C)C(=O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879585555 590326100 /nfs/dbraw/zinc/32/61/00/590326100.db2.gz IINPCXNFAZQPEY-UHFFFAOYSA-N 1 2 344.415 0.702 20 30 ECEDLO C#CCC[C@@H](O)CNC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000875886736 590342702 /nfs/dbraw/zinc/34/27/02/590342702.db2.gz WFKWOZATDMQPEB-SJORKVTESA-N 1 2 346.431 0.356 20 30 ECEDLO C#CCC[C@@H](O)CNC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000875886736 590342705 /nfs/dbraw/zinc/34/27/05/590342705.db2.gz WFKWOZATDMQPEB-SJORKVTESA-N 1 2 346.431 0.356 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879941306 590353701 /nfs/dbraw/zinc/35/37/01/590353701.db2.gz WXFVZPYUWTVPLT-UPJWGTAASA-N 1 2 325.434 0.304 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879941306 590353704 /nfs/dbraw/zinc/35/37/04/590353704.db2.gz WXFVZPYUWTVPLT-UPJWGTAASA-N 1 2 325.434 0.304 20 30 ECEDLO C[C@H](NS(=O)(=O)c1cccc(F)c1C#N)[C@@H]1C[N@H+](C)CCO1 ZINC000128244810 590375045 /nfs/dbraw/zinc/37/50/45/590375045.db2.gz CTZFTVIIIWIKAK-GWCFXTLKSA-N 1 2 327.381 0.695 20 30 ECEDLO C[C@H](NS(=O)(=O)c1cccc(F)c1C#N)[C@@H]1C[N@@H+](C)CCO1 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346.431 0.953 20 30 ECEDLO N#Cc1cc(CS(=O)(=O)N2CC([N@@H+]3CC[C@H](O)C3)C2)cs1 ZINC000916615393 609944126 /nfs/dbraw/zinc/94/41/26/609944126.db2.gz WADFVKCEELYRFT-LBPRGKRZSA-N 1 2 327.431 0.200 20 30 ECEDLO N#Cc1cc(CS(=O)(=O)N2CC([N@H+]3CC[C@H](O)C3)C2)cs1 ZINC000916615393 609944129 /nfs/dbraw/zinc/94/41/29/609944129.db2.gz WADFVKCEELYRFT-LBPRGKRZSA-N 1 2 327.431 0.200 20 30 ECEDLO C=CCN1C(=O)c2ccc(C(=O)N3CC[N@@H+](C)C[C@@H]3CO)cc2C1=O ZINC000912748701 610000402 /nfs/dbraw/zinc/00/04/02/610000402.db2.gz DGYHEOFYHASKOI-CYBMUJFWSA-N 1 2 343.383 0.217 20 30 ECEDLO C=CCN1C(=O)c2ccc(C(=O)N3CC[N@H+](C)C[C@@H]3CO)cc2C1=O ZINC000912748701 610000406 /nfs/dbraw/zinc/00/04/06/610000406.db2.gz DGYHEOFYHASKOI-CYBMUJFWSA-N 1 2 343.383 0.217 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](N(C)C(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC000938968654 610058679 /nfs/dbraw/zinc/05/86/79/610058679.db2.gz LWXNZRLOKGJQMZ-OAHLLOKOSA-N 1 2 337.383 0.702 20 30 ECEDLO NC(=NOCC(=O)NCC1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181846315 610182733 /nfs/dbraw/zinc/18/27/33/610182733.db2.gz VMGJMHQDDSXAGR-INIZCTEOSA-N 1 2 346.431 0.702 20 30 ECEDLO NC(=NOCC(=O)NCC1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181846315 610182734 /nfs/dbraw/zinc/18/27/34/610182734.db2.gz VMGJMHQDDSXAGR-INIZCTEOSA-N 1 2 346.431 0.702 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC000939509669 610222047 /nfs/dbraw/zinc/22/20/47/610222047.db2.gz KZVWXUODMDFJKA-VXGBXAGGSA-N 1 2 343.391 0.007 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cn4c(n3)CCCC4)CC2)C1 ZINC000941426682 610301129 /nfs/dbraw/zinc/30/11/29/610301129.db2.gz FNGDRNBOMOMPKG-UHFFFAOYSA-N 1 2 341.459 0.685 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3cnn(C)c3C)CC2)C1 ZINC000941431307 610312108 /nfs/dbraw/zinc/31/21/08/610312108.db2.gz OEIQMWRCUNQFER-UHFFFAOYSA-N 1 2 329.448 0.123 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cncc(COC)c3)CC2)C1 ZINC000941440834 610316753 /nfs/dbraw/zinc/31/67/53/610316753.db2.gz UKEPDAMRYWDELW-UHFFFAOYSA-N 1 2 328.416 0.303 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CCCN(C(=O)CCc3[nH]cc[nH+]3)CC2)c1 ZINC000940647278 610322517 /nfs/dbraw/zinc/32/25/17/610322517.db2.gz SVTBAFQZVSXWRO-UHFFFAOYSA-N 1 2 340.387 0.917 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(OCC)n[nH]3)CC2)C1 ZINC000941447538 610322893 /nfs/dbraw/zinc/32/28/93/610322893.db2.gz YDAFQIZWQNBAGQ-UHFFFAOYSA-N 1 2 331.420 0.274 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cn(C)nc3CC)CC2)C1 ZINC000941450186 610324440 /nfs/dbraw/zinc/32/44/40/610324440.db2.gz ZQGOQEVWUAKIIZ-UHFFFAOYSA-N 1 2 329.448 0.448 20 30 ECEDLO C#CCN1CC(N2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC2)C1 ZINC000941451655 610326084 /nfs/dbraw/zinc/32/60/84/610326084.db2.gz OTHCEOBBCOWROZ-UHFFFAOYSA-N 1 2 329.448 0.388 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c4c[nH]nc4ccc3C)CC2)C1 ZINC000941468249 610328886 /nfs/dbraw/zinc/32/88/86/610328886.db2.gz QDJSGMSXHOQYHW-UHFFFAOYSA-N 1 2 337.427 0.947 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cn4cccnc4n3)CC2)C1 ZINC000941475022 610331870 /nfs/dbraw/zinc/33/18/70/610331870.db2.gz JSACEWZSWHJAPN-UHFFFAOYSA-N 1 2 338.415 0.195 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCCN(C(=O)Cn3cc[nH+]c3)CC2)cn1 ZINC000941508175 610348999 /nfs/dbraw/zinc/34/89/99/610348999.db2.gz OFHVJDWIBJOGPR-UHFFFAOYSA-N 1 2 337.383 0.634 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)CC2CS(=O)(=O)C2)C(C)(C)C1 ZINC000940847334 610397801 /nfs/dbraw/zinc/39/78/01/610397801.db2.gz VMIWIQBEMYJWNT-CQSZACIVSA-N 1 2 326.462 0.661 20 30 ECEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)CC2CS(=O)(=O)C2)C(C)(C)C1 ZINC000940847334 610397803 /nfs/dbraw/zinc/39/78/03/610397803.db2.gz VMIWIQBEMYJWNT-CQSZACIVSA-N 1 2 326.462 0.661 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3sc(N(C)C)nc3C)CC2)C1 ZINC000941596971 610413944 /nfs/dbraw/zinc/41/39/44/610413944.db2.gz VTKXGQAWWFZTMZ-UHFFFAOYSA-N 1 2 347.488 0.593 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3c(C)n[nH]c3C)CC2)C1 ZINC000941662018 610437464 /nfs/dbraw/zinc/43/74/64/610437464.db2.gz RDSAAJJTUYXMCR-UHFFFAOYSA-N 1 2 329.448 0.421 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cn4c(cccc4C)n3)CC2)C1 ZINC000941662044 610439865 /nfs/dbraw/zinc/43/98/65/610439865.db2.gz SMUZXVNQUMGJCW-UHFFFAOYSA-N 1 2 337.427 0.718 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc(N(C)C)cn3)CC2)C1 ZINC000941681446 610460939 /nfs/dbraw/zinc/46/09/39/610460939.db2.gz QXJJSJXUWQQSOQ-UHFFFAOYSA-N 1 2 341.459 0.613 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)c3c(C)nn(C)c3C)CC2)C1 ZINC000941686556 610464223 /nfs/dbraw/zinc/46/42/23/610464223.db2.gz KUIJTADCFMSWJI-AWEZNQCLSA-N 1 2 343.475 0.602 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnn(C)n3)C[C@@H]2C)c1 ZINC000942616336 610538870 /nfs/dbraw/zinc/53/88/70/610538870.db2.gz KTKQMAPJTYBMKF-SUMWQHHRSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3cnn(C)n3)C[C@@H]2C)c1 ZINC000942616336 610538872 /nfs/dbraw/zinc/53/88/72/610538872.db2.gz KTKQMAPJTYBMKF-SUMWQHHRSA-N 1 2 338.415 0.832 20 30 ECEDLO C=CC[N@@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C(C)(C)C1 ZINC000941100083 610547212 /nfs/dbraw/zinc/54/72/12/610547212.db2.gz RWIBBLKMWRGIPO-ZDUSSCGKSA-N 1 2 344.419 0.474 20 30 ECEDLO C=CC[N@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C(C)(C)C1 ZINC000941100083 610547214 /nfs/dbraw/zinc/54/72/14/610547214.db2.gz RWIBBLKMWRGIPO-ZDUSSCGKSA-N 1 2 344.419 0.474 20 30 ECEDLO C[C@H]1C[N@H+](Cc2cnn(C)n2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941930154 610567411 /nfs/dbraw/zinc/56/74/11/610567411.db2.gz QYYUGRPWJSDUIN-FZMZJTMJSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@H]1C[N@@H+](Cc2cnn(C)n2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941930154 610567412 /nfs/dbraw/zinc/56/74/12/610567412.db2.gz QYYUGRPWJSDUIN-FZMZJTMJSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2nncn2C)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941961857 610584883 /nfs/dbraw/zinc/58/48/83/610584883.db2.gz ABVMMDTVKPPUJJ-RISCZKNCSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2nncn2C)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941961857 610584885 /nfs/dbraw/zinc/58/48/85/610584885.db2.gz ABVMMDTVKPPUJJ-RISCZKNCSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC000941343044 610680867 /nfs/dbraw/zinc/68/08/67/610680867.db2.gz TZBFSVITTUSVTC-ZBFHGGJFSA-N 1 2 343.431 0.905 20 30 ECEDLO Cc1ncsc1C[NH+]1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC000941349148 610685299 /nfs/dbraw/zinc/68/52/99/610685299.db2.gz VBSYCJNHZSWQFX-LBPRGKRZSA-N 1 2 333.461 0.940 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c(F)cncc3F)CC2)C1 ZINC000941424425 610724417 /nfs/dbraw/zinc/72/44/17/610724417.db2.gz NSYNVFNALRJFQN-UHFFFAOYSA-N 1 2 334.370 0.825 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cn(C)nn3)C[C@H]2C)nc1 ZINC000944191843 610776255 /nfs/dbraw/zinc/77/62/55/610776255.db2.gz GJMJQTKMFXMALN-CZUORRHYSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cn(C)nn3)C[C@H]2C)nc1 ZINC000944191843 610776256 /nfs/dbraw/zinc/77/62/56/610776256.db2.gz GJMJQTKMFXMALN-CZUORRHYSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnn(C)n3)C[C@H]2C)cn1 ZINC000944216252 610787777 /nfs/dbraw/zinc/78/77/77/610787777.db2.gz YBPUSMAZALAWMX-CXAGYDPISA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cnn(C)n3)C[C@H]2C)cn1 ZINC000944216252 610787778 /nfs/dbraw/zinc/78/77/78/610787778.db2.gz YBPUSMAZALAWMX-CXAGYDPISA-N 1 2 338.415 0.832 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cnns3)C[C@H]2C)nn1 ZINC000943496262 610883550 /nfs/dbraw/zinc/88/35/50/610883550.db2.gz HFBZJPGZESVDDX-YPMHNXCESA-N 1 2 347.448 0.956 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cnns3)C[C@H]2C)nn1 ZINC000943496262 610883553 /nfs/dbraw/zinc/88/35/53/610883553.db2.gz HFBZJPGZESVDDX-YPMHNXCESA-N 1 2 347.448 0.956 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnns3)C[C@H]2C)nn1 ZINC000943496260 610883584 /nfs/dbraw/zinc/88/35/84/610883584.db2.gz HFBZJPGZESVDDX-DGCLKSJQSA-N 1 2 347.448 0.956 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cnns3)C[C@H]2C)nn1 ZINC000943496260 610883586 /nfs/dbraw/zinc/88/35/86/610883586.db2.gz HFBZJPGZESVDDX-DGCLKSJQSA-N 1 2 347.448 0.956 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)CCc3[nH+]ccn3C)C2)CC1 ZINC000945031235 610887335 /nfs/dbraw/zinc/88/73/35/610887335.db2.gz SABVBTWKMIQIFV-AWEZNQCLSA-N 1 2 343.431 0.963 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)[nH]1 ZINC000943572361 610895895 /nfs/dbraw/zinc/89/58/95/610895895.db2.gz RRVSDUHFOIERSG-CYBMUJFWSA-N 1 2 340.387 0.963 20 30 ECEDLO C=C1CC(C)(C(=O)N2C[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@H](OC)C2)C1 ZINC000943600432 610913942 /nfs/dbraw/zinc/91/39/42/610913942.db2.gz BSZXJLMNRNKZJA-HUUCEWRRSA-N 1 2 346.431 0.661 20 30 ECEDLO C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000945272303 610987669 /nfs/dbraw/zinc/98/76/69/610987669.db2.gz AJPPUDUEJVDMQV-FZMZJTMJSA-N 1 2 340.387 0.819 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)Cn2cc[nH+]c2)cn1 ZINC000944107050 611127045 /nfs/dbraw/zinc/12/70/45/611127045.db2.gz VDTCVNISXWXEHM-MRXNPFEDSA-N 1 2 337.383 0.680 20 30 ECEDLO C#CC[NH+]1CCC(NC(=O)NCc2n[nH]c(-c3ccncc3)n2)CC1 ZINC000922901792 611178841 /nfs/dbraw/zinc/17/88/41/611178841.db2.gz DKIQAHYPQRSZCM-UHFFFAOYSA-N 1 2 339.403 0.764 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CCC[C@H]2NC(=O)Cc2[nH]cc[nH+]2)[nH]1 ZINC000946292619 611200609 /nfs/dbraw/zinc/20/06/09/611200609.db2.gz KJMBLRGVXSNSON-DGCLKSJQSA-N 1 2 340.387 0.867 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2coc(S(=O)(=O)N(C)C)c2)C1 ZINC000923567253 611262588 /nfs/dbraw/zinc/26/25/88/611262588.db2.gz RMAWXGFVRSGXGJ-CYBMUJFWSA-N 1 2 339.417 0.357 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2coc(S(=O)(=O)N(C)C)c2)C1 ZINC000923567253 611262590 /nfs/dbraw/zinc/26/25/90/611262590.db2.gz RMAWXGFVRSGXGJ-CYBMUJFWSA-N 1 2 339.417 0.357 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000929510756 611761080 /nfs/dbraw/zinc/76/10/80/611761080.db2.gz JRSHXXIFHXCTOP-KBPBESRZSA-N 1 2 347.381 0.853 20 30 ECEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cn(C)c(=O)n1C ZINC000948986640 611787223 /nfs/dbraw/zinc/78/72/23/611787223.db2.gz NDWBHKKIZCQNRQ-MRXNPFEDSA-N 1 2 338.411 0.686 20 30 ECEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1cn(C)c(=O)n1C ZINC000948986640 611787227 /nfs/dbraw/zinc/78/72/27/611787227.db2.gz NDWBHKKIZCQNRQ-MRXNPFEDSA-N 1 2 338.411 0.686 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN2C(=O)CCn2cc[nH+]c2)c1 ZINC000949297899 611931111 /nfs/dbraw/zinc/93/11/11/611931111.db2.gz DWHFIWHSLYKDFQ-ZDUSSCGKSA-N 1 2 326.360 0.504 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc(=O)n(CC)n3)CC2)C1 ZINC000949495933 612006668 /nfs/dbraw/zinc/00/66/68/612006668.db2.gz IDFKSQBAYBBENE-UHFFFAOYSA-N 1 2 344.415 0.203 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccc(=O)n(CC)n3)CC2)C1 ZINC000949495933 612006671 /nfs/dbraw/zinc/00/66/71/612006671.db2.gz IDFKSQBAYBBENE-UHFFFAOYSA-N 1 2 344.415 0.203 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cnc(OC)nc3)CC2)C1 ZINC000949506045 612013158 /nfs/dbraw/zinc/01/31/58/612013158.db2.gz CSCWDIIRVKWRIG-UHFFFAOYSA-N 1 2 330.388 0.425 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cnc(OC)nc3)CC2)C1 ZINC000949506045 612013160 /nfs/dbraw/zinc/01/31/60/612013160.db2.gz CSCWDIIRVKWRIG-UHFFFAOYSA-N 1 2 330.388 0.425 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cccnc3C(N)=O)CC2)C1 ZINC000949529036 612022199 /nfs/dbraw/zinc/02/21/99/612022199.db2.gz IGIUSEUOYQIQST-UHFFFAOYSA-N 1 2 342.399 0.121 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cccnc3C(N)=O)CC2)C1 ZINC000949529036 612022201 /nfs/dbraw/zinc/02/22/01/612022201.db2.gz IGIUSEUOYQIQST-UHFFFAOYSA-N 1 2 342.399 0.121 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000949552386 612029864 /nfs/dbraw/zinc/02/98/64/612029864.db2.gz CSQUBQJDEDVOME-CVEARBPZSA-N 1 2 346.431 0.898 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)nc1 ZINC000951253253 612107198 /nfs/dbraw/zinc/10/71/98/612107198.db2.gz VAVJRQBDLGWEMF-OAHLLOKOSA-N 1 2 337.383 0.680 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000952921499 612125800 /nfs/dbraw/zinc/12/58/00/612125800.db2.gz FRKFLRCREFRZSY-YOEHRIQHSA-N 1 2 329.404 0.884 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000952926049 612127754 /nfs/dbraw/zinc/12/77/54/612127754.db2.gz FHVWWJIPYAIYRG-KBXCAEBGSA-N 1 2 343.431 0.963 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000081755036 612263541 /nfs/dbraw/zinc/26/35/41/612263541.db2.gz BJDQLNRHCFMXLC-UHFFFAOYSA-N 1 2 338.433 0.136 20 30 ECEDLO C=CCn1cccc1C(=O)N1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000955114151 612273128 /nfs/dbraw/zinc/27/31/28/612273128.db2.gz XWAFRYLPJNCWLB-UHFFFAOYSA-N 1 2 327.388 0.923 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CCN(C(=O)C#CC3CC3)[C@H]2C1 ZINC000953373639 612281994 /nfs/dbraw/zinc/28/19/94/612281994.db2.gz IZRWVLXQNBCFSK-WBVHZDCISA-N 1 2 340.427 0.825 20 30 ECEDLO C=CCn1cccc1C(=O)N(C)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000954548315 612392458 /nfs/dbraw/zinc/39/24/58/612392458.db2.gz PEZAOHIBZIDACU-UHFFFAOYSA-N 1 2 327.388 0.854 20 30 ECEDLO C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000956804494 612567270 /nfs/dbraw/zinc/56/72/70/612567270.db2.gz SYHLFYPTKUKLLU-KRWDZBQOSA-N 1 2 340.387 0.963 20 30 ECEDLO C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000956804494 612567277 /nfs/dbraw/zinc/56/72/77/612567277.db2.gz SYHLFYPTKUKLLU-KRWDZBQOSA-N 1 2 340.387 0.963 20 30 ECEDLO C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000956832342 612602820 /nfs/dbraw/zinc/60/28/20/612602820.db2.gz BKWDAAQWQGYPDH-MRXNPFEDSA-N 1 2 326.360 0.504 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000954107095 612669761 /nfs/dbraw/zinc/66/97/61/612669761.db2.gz UWHCCZHJLFFWPL-UHFFFAOYSA-N 1 2 340.387 0.535 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000955613763 612708039 /nfs/dbraw/zinc/70/80/39/612708039.db2.gz PFCCPEBTPZWLLZ-OCCSQVGLSA-N 1 2 340.387 0.892 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000956130101 612730873 /nfs/dbraw/zinc/73/08/73/612730873.db2.gz YJLZXDHQKSLIML-ZDUSSCGKSA-N 1 2 340.387 0.881 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCCN2C(=O)Cc2[nH]cc[nH+]2)c1 ZINC000956179339 612762481 /nfs/dbraw/zinc/76/24/81/612762481.db2.gz QCWBQMDXTRMJMT-HNNXBMFYSA-N 1 2 337.383 0.750 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CC3(O)CCC3)C2)CC1 ZINC000956605376 612924618 /nfs/dbraw/zinc/92/46/18/612924618.db2.gz KCJZFKJFDFDPRS-HUUCEWRRSA-N 1 2 348.447 0.196 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)C2)C1 ZINC000972394447 736114594 /nfs/dbraw/zinc/11/45/94/736114594.db2.gz HVDYNRNDLGGSMJ-YJBOKZPZSA-N 1 2 333.432 0.180 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)C2)C1 ZINC000972394447 736114596 /nfs/dbraw/zinc/11/45/96/736114596.db2.gz HVDYNRNDLGGSMJ-YJBOKZPZSA-N 1 2 333.432 0.180 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)cn1 ZINC000972993181 738507246 /nfs/dbraw/zinc/50/72/46/738507246.db2.gz ZAYPQRJJPKXMEV-NVXWUHKLSA-N 1 2 349.394 0.633 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C3CCC3)C2)nn1 ZINC001098595417 738506806 /nfs/dbraw/zinc/50/68/06/738506806.db2.gz NHTUMKUGZYSITB-INIZCTEOSA-N 1 2 331.420 0.591 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3CCC3)C2)nn1 ZINC001098595634 738517992 /nfs/dbraw/zinc/51/79/92/738517992.db2.gz UNUDHPHWCVTYHY-OAHLLOKOSA-N 1 2 346.435 0.243 20 30 ECEDLO CN(C)c1noc(C[NH2+][C@@H]2CCCN(C(=O)CSCC#N)C2)n1 ZINC001207409527 738524969 /nfs/dbraw/zinc/52/49/69/738524969.db2.gz GUSZKSNGDYWLKP-LLVKDONJSA-N 1 2 338.437 0.473 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000969274173 731663486 /nfs/dbraw/zinc/66/34/86/731663486.db2.gz HIHDWUKKKAZCAX-LQKXBSAESA-N 1 2 341.415 0.807 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4cncn4)c3)[C@H]2C1 ZINC001083188111 731764352 /nfs/dbraw/zinc/76/43/52/731764352.db2.gz DWBYEWFKCJBVSB-DLBZAZTESA-N 1 2 337.383 0.426 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4cncn4)c3)[C@H]2C1 ZINC001083188111 731764353 /nfs/dbraw/zinc/76/43/53/731764353.db2.gz DWBYEWFKCJBVSB-DLBZAZTESA-N 1 2 337.383 0.426 20 30 ECEDLO CCn1nncc1C[NH+]1CC([C@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000969463045 731910294 /nfs/dbraw/zinc/91/02/94/731910294.db2.gz JBXXNPGTZXQWCA-NSHDSACASA-N 1 2 327.392 0.748 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)[C@@H](n2ccnn2)C1 ZINC001069981431 790275170 /nfs/dbraw/zinc/27/51/70/790275170.db2.gz CZDOPMNDLKCROA-ARKGTOAJSA-N 1 2 329.404 0.068 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)[C@@H](n2ccnn2)C1 ZINC001069981431 790275172 /nfs/dbraw/zinc/27/51/72/790275172.db2.gz CZDOPMNDLKCROA-ARKGTOAJSA-N 1 2 329.404 0.068 20 30 ECEDLO COc1cncc(C[NH+]2CC([C@@H](C)NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000969515162 731935906 /nfs/dbraw/zinc/93/59/06/731935906.db2.gz XSRZXENDDBVMDY-LLVKDONJSA-N 1 2 340.387 0.935 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH+]ccn1C ZINC000969584711 731985303 /nfs/dbraw/zinc/98/53/03/731985303.db2.gz RKFAOXJFWWSTFH-MCIONIFRSA-N 1 2 329.404 0.714 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2CC)[C@@H](n2ccnn2)C1 ZINC001069984968 790278745 /nfs/dbraw/zinc/27/87/45/790278745.db2.gz USLJJTRXAGRKJY-WCVJEAGWSA-N 1 2 331.420 0.458 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2CC)[C@@H](n2ccnn2)C1 ZINC001069984968 790278748 /nfs/dbraw/zinc/27/87/48/790278748.db2.gz USLJJTRXAGRKJY-WCVJEAGWSA-N 1 2 331.420 0.458 20 30 ECEDLO C#CCCS(=O)(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000288275754 732917237 /nfs/dbraw/zinc/91/72/37/732917237.db2.gz IKGKUJOKXNJTEO-OAHLLOKOSA-N 1 2 336.461 0.535 20 30 ECEDLO C[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)CNc1ccnc(C#N)n1 ZINC001104234293 732920906 /nfs/dbraw/zinc/92/09/06/732920906.db2.gz UAJVBZCRNSOFLI-RYUDHWBXSA-N 1 2 327.392 0.536 20 30 ECEDLO C[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)CNc1ccnc(C#N)n1 ZINC001104234293 732920909 /nfs/dbraw/zinc/92/09/09/732920909.db2.gz UAJVBZCRNSOFLI-RYUDHWBXSA-N 1 2 327.392 0.536 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H](C)C2C[NH+](Cc3cnnn3CC)C2)nn1 ZINC000970548711 733666060 /nfs/dbraw/zinc/66/60/60/733666060.db2.gz QAJPYIGEYSDTFK-LBPRGKRZSA-N 1 2 344.423 0.326 20 30 ECEDLO C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970764374 733926494 /nfs/dbraw/zinc/92/64/94/733926494.db2.gz SADUMQDLRFDDLC-ZBEGNZNMSA-N 1 2 344.390 0.912 20 30 ECEDLO N#Cc1ccc(N2CCO[C@H](CNC(=O)CCc3[nH]cc[nH+]3)C2)cn1 ZINC001104308931 734204071 /nfs/dbraw/zinc/20/40/71/734204071.db2.gz YEAORSACVOEKTQ-OAHLLOKOSA-N 1 2 340.387 0.631 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3csc4cncn43)[C@H]2C1 ZINC001083211478 734249768 /nfs/dbraw/zinc/24/97/68/734249768.db2.gz BDEYFRZFYDKOJI-GXTWGEPZSA-N 1 2 330.413 0.944 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3csc4cncn43)[C@H]2C1 ZINC001083211478 734249771 /nfs/dbraw/zinc/24/97/71/734249771.db2.gz BDEYFRZFYDKOJI-GXTWGEPZSA-N 1 2 330.413 0.944 20 30 ECEDLO N#Cc1cnc(N2CCO[C@@H](CNC(=O)Cn3cc[nH+]c3)C2)c(F)c1 ZINC001104321435 734296458 /nfs/dbraw/zinc/29/64/58/734296458.db2.gz FBLHLFCEPNLXHM-ZDUSSCGKSA-N 1 2 344.350 0.310 20 30 ECEDLO N#Cc1cnccc1N1CCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001104326098 734322160 /nfs/dbraw/zinc/32/21/60/734322160.db2.gz DYSBCJPPRQIWAW-ZDUSSCGKSA-N 1 2 326.360 0.240 20 30 ECEDLO N#Cc1cnc(NCC2(O)CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)cn1 ZINC001067478799 734336249 /nfs/dbraw/zinc/33/62/49/734336249.db2.gz UKTRCSDMJGRPBC-UHFFFAOYSA-N 1 2 341.375 0.079 20 30 ECEDLO N#Cc1ccc(N2CCO[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)cn1 ZINC001104350484 734527537 /nfs/dbraw/zinc/52/75/37/734527537.db2.gz XXWDJYKNXCZEPG-OAHLLOKOSA-N 1 2 326.360 0.240 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4nncn4c3)[C@H]2C1 ZINC001083222696 734865772 /nfs/dbraw/zinc/86/57/72/734865772.db2.gz GTZPHQIJYZXLIQ-LSDHHAIUSA-N 1 2 325.372 0.278 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4nncn4c3)[C@H]2C1 ZINC001083222696 734865776 /nfs/dbraw/zinc/86/57/76/734865776.db2.gz GTZPHQIJYZXLIQ-LSDHHAIUSA-N 1 2 325.372 0.278 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn4cccc(OC)c34)[C@H]2C1 ZINC001083225576 735110147 /nfs/dbraw/zinc/11/01/47/735110147.db2.gz BVBSHBGOHRIDPI-GOEBONIOSA-N 1 2 340.383 0.501 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn4cccc(OC)c34)[C@H]2C1 ZINC001083225576 735110151 /nfs/dbraw/zinc/11/01/51/735110151.db2.gz BVBSHBGOHRIDPI-GOEBONIOSA-N 1 2 340.383 0.501 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3ccccc3NC(C)=O)[C@H]2C1 ZINC001083228737 735209632 /nfs/dbraw/zinc/20/96/32/735209632.db2.gz QQAONZGRJDEEDY-ZWKOTPCHSA-N 1 2 341.411 0.732 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3ccccc3NC(C)=O)[C@H]2C1 ZINC001083228737 735209633 /nfs/dbraw/zinc/20/96/33/735209633.db2.gz QQAONZGRJDEEDY-ZWKOTPCHSA-N 1 2 341.411 0.732 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC000972129558 735679429 /nfs/dbraw/zinc/67/94/29/735679429.db2.gz GRAZLUPTDVXHIL-VXGBXAGGSA-N 1 2 344.253 0.906 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC000972129558 735679431 /nfs/dbraw/zinc/67/94/31/735679431.db2.gz GRAZLUPTDVXHIL-VXGBXAGGSA-N 1 2 344.253 0.906 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnn(CCOC)c3C)C2)C1 ZINC000972379838 736047423 /nfs/dbraw/zinc/04/74/23/736047423.db2.gz AXAQSWPKBZDIDD-SFHVURJKSA-N 1 2 348.447 0.941 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnn(CCOC)c3C)C2)C1 ZINC000972379838 736047426 /nfs/dbraw/zinc/04/74/26/736047426.db2.gz AXAQSWPKBZDIDD-SFHVURJKSA-N 1 2 348.447 0.941 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCN3C(=O)CC)C2)C1 ZINC000972395697 736120015 /nfs/dbraw/zinc/12/00/15/736120015.db2.gz GKHOVGYZWPCJFA-APWZRJJASA-N 1 2 347.459 0.714 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCN3C(=O)CC)C2)C1 ZINC000972395697 736120017 /nfs/dbraw/zinc/12/00/17/736120017.db2.gz GKHOVGYZWPCJFA-APWZRJJASA-N 1 2 347.459 0.714 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCCN3C(=O)CC)C2)C1 ZINC000972395701 736120234 /nfs/dbraw/zinc/12/02/34/736120234.db2.gz GKHOVGYZWPCJFA-VQIMIIECSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCCN3C(=O)CC)C2)C1 ZINC000972395701 736120237 /nfs/dbraw/zinc/12/02/37/736120237.db2.gz GKHOVGYZWPCJFA-VQIMIIECSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCn3c(C)csc3=O)C2)C1 ZINC000972414160 736151179 /nfs/dbraw/zinc/15/11/79/736151179.db2.gz USMKPYZNRKXNPR-QGZVFWFLSA-N 1 2 349.456 0.545 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCn3c(C)csc3=O)C2)C1 ZINC000972414160 736151182 /nfs/dbraw/zinc/15/11/82/736151182.db2.gz USMKPYZNRKXNPR-QGZVFWFLSA-N 1 2 349.456 0.545 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3nc(CC)c[nH]3)C2)C1 ZINC000972420514 736163643 /nfs/dbraw/zinc/16/36/43/736163643.db2.gz XSBWYRTWYPWIDF-SFHVURJKSA-N 1 2 330.432 0.841 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3nc(CC)c[nH]3)C2)C1 ZINC000972420514 736163645 /nfs/dbraw/zinc/16/36/45/736163645.db2.gz XSBWYRTWYPWIDF-SFHVURJKSA-N 1 2 330.432 0.841 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 ZINC000972428990 736178515 /nfs/dbraw/zinc/17/85/15/736178515.db2.gz SXSVJMARKAQGDP-SFHVURJKSA-N 1 2 344.415 0.327 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 ZINC000972428990 736178517 /nfs/dbraw/zinc/17/85/17/736178517.db2.gz SXSVJMARKAQGDP-SFHVURJKSA-N 1 2 344.415 0.327 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn4c(n3)COCC4)C2)C1 ZINC000972435564 736188044 /nfs/dbraw/zinc/18/80/44/736188044.db2.gz PKCFGSPSNIIFLZ-SFHVURJKSA-N 1 2 344.415 0.354 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn4c(n3)COCC4)C2)C1 ZINC000972435564 736188045 /nfs/dbraw/zinc/18/80/45/736188045.db2.gz PKCFGSPSNIIFLZ-SFHVURJKSA-N 1 2 344.415 0.354 20 30 ECEDLO N#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000972441618 736202146 /nfs/dbraw/zinc/20/21/46/736202146.db2.gz SVNFRGGOBFGTKV-RHSMWYFYSA-N 1 2 329.404 0.272 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCn4ccnc4C3)C2)C1 ZINC000972441662 736204169 /nfs/dbraw/zinc/20/41/69/736204169.db2.gz UNSLNLXIERCTTQ-VQIMIIECSA-N 1 2 342.443 0.772 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PBRJCRZTWHJCMX-VKJFTORMSA-N 1 2 333.432 0.215 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC(C)CC3)C2)C1 ZINC000972585038 736960797 /nfs/dbraw/zinc/96/07/97/736960797.db2.gz GFGWNUFRPKOMHV-IBGZPJMESA-N 1 2 347.459 0.572 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC(C)CC3)C2)C1 ZINC000972585038 736960800 /nfs/dbraw/zinc/96/08/00/736960800.db2.gz GFGWNUFRPKOMHV-IBGZPJMESA-N 1 2 347.459 0.572 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(COC)on3)C2)C1 ZINC000972584690 736961545 /nfs/dbraw/zinc/96/15/45/736961545.db2.gz AMDUREIXWZOFSX-QGZVFWFLSA-N 1 2 333.388 0.761 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(COC)on3)C2)C1 ZINC000972584690 736961550 /nfs/dbraw/zinc/96/15/50/736961550.db2.gz AMDUREIXWZOFSX-QGZVFWFLSA-N 1 2 333.388 0.761 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC(C)CC3)C2)C1 ZINC000972585209 736969643 /nfs/dbraw/zinc/96/96/43/736969643.db2.gz KABYVQMCAFXAHT-SFHVURJKSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC(C)CC3)C2)C1 ZINC000972585209 736969645 /nfs/dbraw/zinc/96/96/45/736969645.db2.gz KABYVQMCAFXAHT-SFHVURJKSA-N 1 2 333.432 0.181 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3nncn3C)C2)c1 ZINC001023582422 737033056 /nfs/dbraw/zinc/03/30/56/737033056.db2.gz HDFZVESFGPXHDP-HNNXBMFYSA-N 1 2 338.415 0.833 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+](Cc3nncn3C)C2)c1 ZINC001023582422 737033058 /nfs/dbraw/zinc/03/30/58/737033058.db2.gz HDFZVESFGPXHDP-HNNXBMFYSA-N 1 2 338.415 0.833 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(c3)N(C)CC4)[C@H]2C1 ZINC001083262184 737052088 /nfs/dbraw/zinc/05/20/88/737052088.db2.gz HJWRVRRVYAXETL-ZWKOTPCHSA-N 1 2 325.412 0.837 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(c3)N(C)CC4)[C@H]2C1 ZINC001083262184 737052096 /nfs/dbraw/zinc/05/20/96/737052096.db2.gz HJWRVRRVYAXETL-ZWKOTPCHSA-N 1 2 325.412 0.837 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn(CC4CC4)nn3)C2)C1 ZINC000972617816 737106965 /nfs/dbraw/zinc/10/69/65/737106965.db2.gz SSZRPKDHFFRYIZ-GOSISDBHSA-N 1 2 343.431 0.628 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn(CC4CC4)nn3)C2)C1 ZINC000972617816 737106966 /nfs/dbraw/zinc/10/69/66/737106966.db2.gz SSZRPKDHFFRYIZ-GOSISDBHSA-N 1 2 343.431 0.628 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)c(F)c1 ZINC000981971941 751387076 /nfs/dbraw/zinc/38/70/76/751387076.db2.gz HFGIEXQUWHCENO-CABCVRRESA-N 1 2 344.390 0.853 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)c(F)c1 ZINC000981971941 751387083 /nfs/dbraw/zinc/38/70/83/751387083.db2.gz HFGIEXQUWHCENO-CABCVRRESA-N 1 2 344.390 0.853 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)C2)C1 ZINC000972633624 737179394 /nfs/dbraw/zinc/17/93/94/737179394.db2.gz GEQOAVWXGXNVNX-KDOFPFPSSA-N 1 2 328.416 0.451 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)C2)C1 ZINC000972633624 737179395 /nfs/dbraw/zinc/17/93/95/737179395.db2.gz GEQOAVWXGXNVNX-KDOFPFPSSA-N 1 2 328.416 0.451 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cn(C)nn3)C2)cn1 ZINC001023710324 737228635 /nfs/dbraw/zinc/22/86/35/737228635.db2.gz KISHZECXZPEQHI-CQSZACIVSA-N 1 2 338.415 0.833 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cn(C)nn3)C2)cn1 ZINC001023710324 737228642 /nfs/dbraw/zinc/22/86/42/737228642.db2.gz KISHZECXZPEQHI-CQSZACIVSA-N 1 2 338.415 0.833 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCCCC(=O)N3)C2)C1 ZINC000972652801 737259143 /nfs/dbraw/zinc/25/91/43/737259143.db2.gz CLWXBPBGGHCSOU-YJBOKZPZSA-N 1 2 333.432 0.372 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCCCC(=O)N3)C2)C1 ZINC000972652801 737259148 /nfs/dbraw/zinc/25/91/48/737259148.db2.gz CLWXBPBGGHCSOU-YJBOKZPZSA-N 1 2 333.432 0.372 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 ZINC000972668729 737311360 /nfs/dbraw/zinc/31/13/60/737311360.db2.gz CEAPVNACLASFRF-GOSISDBHSA-N 1 2 329.400 0.888 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 ZINC000972668729 737311364 /nfs/dbraw/zinc/31/13/64/737311364.db2.gz CEAPVNACLASFRF-GOSISDBHSA-N 1 2 329.400 0.888 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cncnc3CC)C2)C1 ZINC000972682890 737372231 /nfs/dbraw/zinc/37/22/31/737372231.db2.gz JLPRUJTVQLBXBX-SFHVURJKSA-N 1 2 328.416 0.979 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cncnc3CC)C2)C1 ZINC000972682890 737372235 /nfs/dbraw/zinc/37/22/35/737372235.db2.gz JLPRUJTVQLBXBX-SFHVURJKSA-N 1 2 328.416 0.979 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C3CC3)N3CCOCC3)C2)C1 ZINC000972685749 737377006 /nfs/dbraw/zinc/37/70/06/737377006.db2.gz SVPQERNAWQRBAC-IEBWSBKVSA-N 1 2 349.475 0.587 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C3CC3)N3CCOCC3)C2)C1 ZINC000972685749 737377011 /nfs/dbraw/zinc/37/70/11/737377011.db2.gz SVPQERNAWQRBAC-IEBWSBKVSA-N 1 2 349.475 0.587 20 30 ECEDLO N#Cc1cnc(COC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)nc1 ZINC000923774152 737382139 /nfs/dbraw/zinc/38/21/39/737382139.db2.gz UITUMTBRFXYUJC-KGLIPLIRSA-N 1 2 332.360 0.271 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)ccn3)C2)C1 ZINC000972708022 737518781 /nfs/dbraw/zinc/51/87/81/737518781.db2.gz NZHBYHJBOVBRBC-GOSISDBHSA-N 1 2 342.399 0.121 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)ccn3)C2)C1 ZINC000972708022 737518783 /nfs/dbraw/zinc/51/87/83/737518783.db2.gz NZHBYHJBOVBRBC-GOSISDBHSA-N 1 2 342.399 0.121 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000972725528 737552274 /nfs/dbraw/zinc/55/22/74/737552274.db2.gz YYSYGHSARKPPQS-GDBMZVCRSA-N 1 2 326.400 0.815 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000972725528 737552276 /nfs/dbraw/zinc/55/22/76/737552276.db2.gz YYSYGHSARKPPQS-GDBMZVCRSA-N 1 2 326.400 0.815 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000972764566 737607933 /nfs/dbraw/zinc/60/79/33/737607933.db2.gz YKUKQFAYEDQSSM-QWRGUYRKSA-N 1 2 330.226 0.706 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000972764566 737607934 /nfs/dbraw/zinc/60/79/34/737607934.db2.gz YKUKQFAYEDQSSM-QWRGUYRKSA-N 1 2 330.226 0.706 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)C2CC2)C[C@H]1O ZINC001024358193 737920642 /nfs/dbraw/zinc/92/06/42/737920642.db2.gz DFRCYEGCCTZBPT-OWCLPIDISA-N 1 2 347.459 0.208 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)C2CC2)C[C@H]1O ZINC001024358193 737920644 /nfs/dbraw/zinc/92/06/44/737920644.db2.gz DFRCYEGCCTZBPT-OWCLPIDISA-N 1 2 347.459 0.208 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)CC)C[C@H]1O ZINC001024358164 737920894 /nfs/dbraw/zinc/92/08/94/737920894.db2.gz CONMOAOWOQBHIM-QLFBSQMISA-N 1 2 335.448 0.208 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)CC)C[C@H]1O ZINC001024358164 737920898 /nfs/dbraw/zinc/92/08/98/737920898.db2.gz CONMOAOWOQBHIM-QLFBSQMISA-N 1 2 335.448 0.208 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CC3CS(=O)(=O)C3)C(C)(C)[C@@H]21 ZINC001087293137 738134897 /nfs/dbraw/zinc/13/48/97/738134897.db2.gz YWBNYFHLAJYZEJ-FVQBIDKESA-N 1 2 338.473 0.660 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC3CS(=O)(=O)C3)C(C)(C)[C@@H]21 ZINC001087293137 738134899 /nfs/dbraw/zinc/13/48/99/738134899.db2.gz YWBNYFHLAJYZEJ-FVQBIDKESA-N 1 2 338.473 0.660 20 30 ECEDLO C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4ccccc4)n3)[C@H]2C1 ZINC001083271165 738214154 /nfs/dbraw/zinc/21/41/54/738214154.db2.gz TUNUXGVBADUIQY-DLBZAZTESA-N 1 2 339.399 0.979 20 30 ECEDLO C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4ccccc4)n3)[C@H]2C1 ZINC001083271165 738214156 /nfs/dbraw/zinc/21/41/56/738214156.db2.gz TUNUXGVBADUIQY-DLBZAZTESA-N 1 2 339.399 0.979 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001024785987 738293556 /nfs/dbraw/zinc/29/35/56/738293556.db2.gz VIZPDQLEHGUTFL-CABCVRRESA-N 1 2 343.855 0.957 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001024785987 738293558 /nfs/dbraw/zinc/29/35/58/738293558.db2.gz VIZPDQLEHGUTFL-CABCVRRESA-N 1 2 343.855 0.957 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000973323631 739090775 /nfs/dbraw/zinc/09/07/75/739090775.db2.gz IEOGPVCSLPTBIN-QCQGSNGOSA-N 1 2 332.404 0.697 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2cc(C)n(C)n2)nn1 ZINC001028187299 751417957 /nfs/dbraw/zinc/41/79/57/751417957.db2.gz HSUGZISYEGGVFR-HNNXBMFYSA-N 1 2 343.435 0.900 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cc(C)n(C)n2)nn1 ZINC001028187299 751417959 /nfs/dbraw/zinc/41/79/59/751417959.db2.gz HSUGZISYEGGVFR-HNNXBMFYSA-N 1 2 343.435 0.900 20 30 ECEDLO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@@H]1CCC[N@H+](Cc2nnnn2C)C1 ZINC001025389937 739353160 /nfs/dbraw/zinc/35/31/60/739353160.db2.gz GRQNGSUPSNFFSK-VXGBXAGGSA-N 1 2 342.407 0.440 20 30 ECEDLO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@@H]1CCC[N@@H+](Cc2nnnn2C)C1 ZINC001025389937 739353164 /nfs/dbraw/zinc/35/31/64/739353164.db2.gz GRQNGSUPSNFFSK-VXGBXAGGSA-N 1 2 342.407 0.440 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)[C@@H](C)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001104682778 739478653 /nfs/dbraw/zinc/47/86/53/739478653.db2.gz CDWHXTLSYFAWNL-UONOGXRCSA-N 1 2 345.447 0.762 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)[C@@H](C)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001104682778 739478655 /nfs/dbraw/zinc/47/86/55/739478655.db2.gz CDWHXTLSYFAWNL-UONOGXRCSA-N 1 2 345.447 0.762 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCN(C(=O)CCC)C3)[C@H]2C1 ZINC001083282242 739581732 /nfs/dbraw/zinc/58/17/32/739581732.db2.gz VGMRLSNWDAKCPF-IXDOHACOSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCN(C(=O)CCC)C3)[C@H]2C1 ZINC001083282242 739581735 /nfs/dbraw/zinc/58/17/35/739581735.db2.gz VGMRLSNWDAKCPF-IXDOHACOSA-N 1 2 347.459 0.570 20 30 ECEDLO CN(C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(=O)c1cc(C#N)c[nH]1 ZINC000988095175 751526281 /nfs/dbraw/zinc/52/62/81/751526281.db2.gz MYDCDJYMPFEWSF-ZDUSSCGKSA-N 1 2 340.387 0.704 20 30 ECEDLO CN(C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(=O)c1ccc(C#N)[nH]1 ZINC000988096622 751528531 /nfs/dbraw/zinc/52/85/31/751528531.db2.gz VHHCQGDOYAKISX-CYBMUJFWSA-N 1 2 340.387 0.704 20 30 ECEDLO C[C@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001104802395 740539798 /nfs/dbraw/zinc/53/97/98/740539798.db2.gz VADBNAZXHFSOKH-NEPJUHHUSA-N 1 2 339.403 0.872 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001020413818 751564060 /nfs/dbraw/zinc/56/40/60/751564060.db2.gz SCRPJHMIYCTPJG-UKMLZYKCSA-N 1 2 346.431 0.659 20 30 ECEDLO CN(C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)c1ccc(C#N)nn1 ZINC001058705814 740981833 /nfs/dbraw/zinc/98/18/33/740981833.db2.gz LLUQUELDANZDLD-ZDUSSCGKSA-N 1 2 339.403 0.989 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000974188432 741072167 /nfs/dbraw/zinc/07/21/67/741072167.db2.gz NTLPMHCTHCHEFI-BARDWOONSA-N 1 2 332.404 0.628 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCCC(C)=O)C2)nn1 ZINC001098615664 741103227 /nfs/dbraw/zinc/10/32/27/741103227.db2.gz YKWSMABBBNEIPI-INIZCTEOSA-N 1 2 331.420 0.924 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001078236538 782537358 /nfs/dbraw/zinc/53/73/58/782537358.db2.gz MLYCSDGWCYKVGM-ZIAGYGMSSA-N 1 2 327.388 0.823 20 30 ECEDLO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001078236538 782537364 /nfs/dbraw/zinc/53/73/64/782537364.db2.gz MLYCSDGWCYKVGM-ZIAGYGMSSA-N 1 2 327.388 0.823 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CC[C@@H]3CCCO3)C2)nn1 ZINC001105165996 741432450 /nfs/dbraw/zinc/43/24/50/741432450.db2.gz WJUODMVLPYXUKW-INIZCTEOSA-N 1 2 331.420 0.734 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C(CC)CC)C2)nn1 ZINC001105170111 741434879 /nfs/dbraw/zinc/43/48/79/741434879.db2.gz WKFNZRZDVYXTJQ-UHFFFAOYSA-N 1 2 348.451 0.489 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)COC(C)(C)C)C2)nn1 ZINC001105217853 741482489 /nfs/dbraw/zinc/48/24/89/741482489.db2.gz OHCWTPDMCFBDMR-UHFFFAOYSA-N 1 2 349.435 0.216 20 30 ECEDLO C#CCCCCC(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105219503 741483910 /nfs/dbraw/zinc/48/39/10/741483910.db2.gz CCUZWALWRMTIIR-UHFFFAOYSA-N 1 2 343.431 0.594 20 30 ECEDLO C#CCCCCC(=O)N1CC(n2cc(C[NH2+]CC(=O)N(C)C)nn2)C1 ZINC001105219863 741485157 /nfs/dbraw/zinc/48/51/57/741485157.db2.gz UWNWJTDABIZJOS-UHFFFAOYSA-N 1 2 346.435 0.033 20 30 ECEDLO C#CCCCC(=O)N1CC(n2cc(C[NH2+]CC(=O)N(C)CC)nn2)C1 ZINC001105225097 741506249 /nfs/dbraw/zinc/50/62/49/741506249.db2.gz JNOMOUDLIGSMTL-UHFFFAOYSA-N 1 2 346.435 0.033 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)nn1 ZINC001105244485 741549437 /nfs/dbraw/zinc/54/94/37/741549437.db2.gz ZXDOJCHGGWKDHE-JKIFEVAISA-N 1 2 325.416 0.987 20 30 ECEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@H]1CCCNC1=O ZINC001038372315 741551681 /nfs/dbraw/zinc/55/16/81/741551681.db2.gz QZGWGRHXLILESC-IRXDYDNUSA-N 1 2 325.412 0.755 20 30 ECEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@H]1CCCNC1=O ZINC001038372315 741551684 /nfs/dbraw/zinc/55/16/84/741551684.db2.gz QZGWGRHXLILESC-IRXDYDNUSA-N 1 2 325.412 0.755 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C)nnc3C)C2)nn1 ZINC001105248907 741552085 /nfs/dbraw/zinc/55/20/85/741552085.db2.gz DXMHENJYRSVBPD-UHFFFAOYSA-N 1 2 325.376 0.105 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccns3)C2)nn1 ZINC001105252282 741561302 /nfs/dbraw/zinc/56/13/02/741561302.db2.gz HPHYBCDFWVMOST-UHFFFAOYSA-N 1 2 346.416 0.171 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)C3(F)CCCC3)C2)nn1 ZINC001105273125 741618272 /nfs/dbraw/zinc/61/82/72/741618272.db2.gz ZRLOVPGOJORMRG-UHFFFAOYSA-N 1 2 349.410 0.683 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)c3cccnc3)C2)nn1 ZINC001105275253 741621359 /nfs/dbraw/zinc/62/13/59/741621359.db2.gz IOGNKTMVKYDLNI-UHFFFAOYSA-N 1 2 338.415 0.757 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)COCC(F)F)C2)nn1 ZINC001105290415 741651194 /nfs/dbraw/zinc/65/11/94/741651194.db2.gz PSICOPQSLADFLM-UHFFFAOYSA-N 1 2 327.335 0.056 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001105299348 741682227 /nfs/dbraw/zinc/68/22/27/741682227.db2.gz SHLZCCJQHXTQAK-NSHDSACASA-N 1 2 334.424 0.227 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CC(n2cc(C[NH2+]CC(=O)N(C)C)nn2)C1 ZINC001105309802 741718357 /nfs/dbraw/zinc/71/83/57/741718357.db2.gz CTSHVSMDVIAEJF-CYBMUJFWSA-N 1 2 348.451 0.442 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000982154904 751663202 /nfs/dbraw/zinc/66/32/02/751663202.db2.gz YYDNGBFVFPMYHT-YJNKXOJESA-N 1 2 346.431 0.944 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cc(C)n[nH]3)C2)nn1 ZINC001098622269 741798721 /nfs/dbraw/zinc/79/87/21/741798721.db2.gz FAGKUTLTWYJJKR-CQSZACIVSA-N 1 2 327.392 0.510 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cc(C)[nH]n3)C2)nn1 ZINC001098622269 741798723 /nfs/dbraw/zinc/79/87/23/741798723.db2.gz FAGKUTLTWYJJKR-CQSZACIVSA-N 1 2 327.392 0.510 20 30 ECEDLO C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)CCc3cnn[nH]3)C2)nn1 ZINC001105329877 741831878 /nfs/dbraw/zinc/83/18/78/741831878.db2.gz CBKMPOLICALFDW-UHFFFAOYSA-N 1 2 344.423 0.468 20 30 ECEDLO CC1(C)CN(CC#N)C[C@@H]1NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000974964542 742417851 /nfs/dbraw/zinc/41/78/51/742417851.db2.gz WJBLHKUNYBUKOR-HOTGVXAUSA-N 1 2 334.464 0.980 20 30 ECEDLO CC1(C)CN(CC#N)C[C@@H]1NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000974964542 742417855 /nfs/dbraw/zinc/41/78/55/742417855.db2.gz WJBLHKUNYBUKOR-HOTGVXAUSA-N 1 2 334.464 0.980 20 30 ECEDLO COCCN(CCNC(=O)CCn1cc[nH+]c1)c1ccc(C#N)cn1 ZINC001126451342 742855611 /nfs/dbraw/zinc/85/56/11/742855611.db2.gz TYJUAFPRTPQLBU-UHFFFAOYSA-N 1 2 342.403 0.809 20 30 ECEDLO C#Cc1ccccc1CC(=O)NC1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000997236249 743386673 /nfs/dbraw/zinc/38/66/73/743386673.db2.gz QXFMFLVUISBICG-UHFFFAOYSA-N 1 2 336.395 0.893 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C#N)[nH]1 ZINC000976362005 743878107 /nfs/dbraw/zinc/87/81/07/743878107.db2.gz LJCKRTCEOCVZOD-ATCWAGBWSA-N 1 2 338.371 0.347 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)COCC3CC3)C2)nn1 ZINC001098625362 744296897 /nfs/dbraw/zinc/29/68/97/744296897.db2.gz CNRPJZWGRDPSEU-MRXNPFEDSA-N 1 2 331.420 0.591 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nnn(C)n2)C1 ZINC000998787542 744339291 /nfs/dbraw/zinc/33/92/91/744339291.db2.gz ISRMKCIPKAUMBY-PQAZSJQKSA-N 1 2 334.424 0.270 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000999355606 744649195 /nfs/dbraw/zinc/64/91/95/744649195.db2.gz OBOVLQCUOQOSDN-NFAWXSAZSA-N 1 2 344.415 0.748 20 30 ECEDLO N#Cc1cc(C(=O)N2CC(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)c[nH]1 ZINC000999357953 744650639 /nfs/dbraw/zinc/65/06/39/744650639.db2.gz SVUHWOUNVALESH-ZDUSSCGKSA-N 1 2 338.371 0.670 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000977158357 744726546 /nfs/dbraw/zinc/72/65/46/744726546.db2.gz CHEBHBQLRFAOAY-MOWSAHLDSA-N 1 2 327.388 0.562 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CC(=O)NC3CC3)CC2(C)C)nn1 ZINC000977273834 744828518 /nfs/dbraw/zinc/82/85/18/744828518.db2.gz QHQDBLUCEHYNKN-CQSZACIVSA-N 1 2 346.435 0.183 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CC(=O)NC3CC3)CC2(C)C)nn1 ZINC000977273834 744828521 /nfs/dbraw/zinc/82/85/21/744828521.db2.gz QHQDBLUCEHYNKN-CQSZACIVSA-N 1 2 346.435 0.183 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3nn(CC)nc3C)C2)nn1 ZINC001105383016 745019381 /nfs/dbraw/zinc/01/93/81/745019381.db2.gz QVCCVANBGABKJQ-UHFFFAOYSA-N 1 2 342.407 0.008 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001000023321 745194449 /nfs/dbraw/zinc/19/44/49/745194449.db2.gz YWBYYFWILKOULU-YUELXQCFSA-N 1 2 344.415 0.364 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cccn2C)[C@H](OC)C1 ZINC001211857229 745241558 /nfs/dbraw/zinc/24/15/58/745241558.db2.gz FETITBAOCXZSQQ-GZBFAFLISA-N 1 2 334.420 0.145 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccn2C)[C@H](OC)C1 ZINC001211857229 745241565 /nfs/dbraw/zinc/24/15/65/745241565.db2.gz FETITBAOCXZSQQ-GZBFAFLISA-N 1 2 334.420 0.145 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc(COC)s3)C2)nn1 ZINC001105384132 745247044 /nfs/dbraw/zinc/24/70/44/745247044.db2.gz ACKHRVVZTKUUKA-UHFFFAOYSA-N 1 2 346.416 0.301 20 30 ECEDLO C=CCC1(C(=O)NCC[NH2+]Cc2nc(COC)no2)CCOCC1 ZINC001149317111 745355823 /nfs/dbraw/zinc/35/58/23/745355823.db2.gz DSLYNILGOJSNOL-UHFFFAOYSA-N 1 2 338.408 0.795 20 30 ECEDLO O=C(C#CC1CC1)N1CC(NC(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001000264907 745396285 /nfs/dbraw/zinc/39/62/85/745396285.db2.gz DZDZRPSGIURUJP-UHFFFAOYSA-N 1 2 345.443 0.372 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@H]([NH2+]Cc3nc(CC)no3)C2)nn1 ZINC001000401439 745477570 /nfs/dbraw/zinc/47/75/70/745477570.db2.gz DCCUZMPRDLSOLE-LBPRGKRZSA-N 1 2 345.407 0.804 20 30 ECEDLO CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000977913897 745667886 /nfs/dbraw/zinc/66/78/86/745667886.db2.gz UBWONNYMWLTFMC-HOTGVXAUSA-N 1 2 340.427 0.918 20 30 ECEDLO CN(C(=O)Cn1cc[nH+]c1)[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000984037065 745724214 /nfs/dbraw/zinc/72/42/14/745724214.db2.gz FEBLXGAETXOKHQ-AWEZNQCLSA-N 1 2 340.387 0.846 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1CCS(C)(=O)=O ZINC001087548928 745960547 /nfs/dbraw/zinc/96/05/47/745960547.db2.gz VZWPAJRAEUBYIR-UONOGXRCSA-N 1 2 338.433 0.514 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1CCS(C)(=O)=O ZINC001087548928 745960550 /nfs/dbraw/zinc/96/05/50/745960550.db2.gz VZWPAJRAEUBYIR-UONOGXRCSA-N 1 2 338.433 0.514 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001059335200 745989332 /nfs/dbraw/zinc/98/93/32/745989332.db2.gz PEMFYTMZJDHZDP-CQSZACIVSA-N 1 2 334.420 0.520 20 30 ECEDLO N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@H]3CCc4[nH+]ccn4C3)C2)nn1 ZINC001059336118 745992617 /nfs/dbraw/zinc/99/26/17/745992617.db2.gz JDZBCAXEDAMDKG-UBHSHLNASA-N 1 2 337.387 0.866 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3ncccn3)CC2)C1=O ZINC000982370007 752061535 /nfs/dbraw/zinc/06/15/35/752061535.db2.gz NQCAHJHYQCASID-AWEZNQCLSA-N 1 2 329.404 0.411 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3ncccn3)CC2)C1=O ZINC000982370007 752061542 /nfs/dbraw/zinc/06/15/42/752061542.db2.gz NQCAHJHYQCASID-AWEZNQCLSA-N 1 2 329.404 0.411 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@H+](Cc2cnnn2C)CC1 ZINC001001163335 746127596 /nfs/dbraw/zinc/12/75/96/746127596.db2.gz LPURAMJYOYVZAS-CVEARBPZSA-N 1 2 331.420 0.655 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+](Cc2cnnn2C)CC1 ZINC001001163335 746127598 /nfs/dbraw/zinc/12/75/98/746127598.db2.gz LPURAMJYOYVZAS-CVEARBPZSA-N 1 2 331.420 0.655 20 30 ECEDLO C=CCn1cc(C(=O)NCC2=CC[N@H+](Cc3ccn(C)n3)CC2)nn1 ZINC001001243340 746201978 /nfs/dbraw/zinc/20/19/78/746201978.db2.gz ZETBSHOWEBBXJQ-UHFFFAOYSA-N 1 2 341.419 0.760 20 30 ECEDLO C=CCn1cc(C(=O)NCC2=CC[N@@H+](Cc3ccn(C)n3)CC2)nn1 ZINC001001243340 746201983 /nfs/dbraw/zinc/20/19/83/746201983.db2.gz ZETBSHOWEBBXJQ-UHFFFAOYSA-N 1 2 341.419 0.760 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000984350596 746320375 /nfs/dbraw/zinc/32/03/75/746320375.db2.gz GGFKHACXQYQXNC-CQSZACIVSA-N 1 2 340.387 0.846 20 30 ECEDLO N#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC000978643238 746535594 /nfs/dbraw/zinc/53/55/94/746535594.db2.gz WWPYPYPALWJWSR-NXOAAHMSSA-N 1 2 332.448 0.447 20 30 ECEDLO N#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC000978643238 746535596 /nfs/dbraw/zinc/53/55/96/746535596.db2.gz WWPYPYPALWJWSR-NXOAAHMSSA-N 1 2 332.448 0.447 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nncn4C)C[C@H]32)c1 ZINC000978686400 746597452 /nfs/dbraw/zinc/59/74/52/746597452.db2.gz CRWVPODSNUKFER-PHZGNYQRSA-N 1 2 336.399 0.299 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nncn4C)C[C@H]32)c1 ZINC000978686400 746597455 /nfs/dbraw/zinc/59/74/55/746597455.db2.gz CRWVPODSNUKFER-PHZGNYQRSA-N 1 2 336.399 0.299 20 30 ECEDLO Cn1cnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1 ZINC001087938738 746688561 /nfs/dbraw/zinc/68/85/61/746688561.db2.gz IVNHWFMLRIURAE-OLZOCXBDSA-N 1 2 339.403 0.609 20 30 ECEDLO Cn1cnnc1C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1 ZINC001087938738 746688565 /nfs/dbraw/zinc/68/85/65/746688565.db2.gz IVNHWFMLRIURAE-OLZOCXBDSA-N 1 2 339.403 0.609 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cc(C)ncn3)C2)C1=O ZINC001007141411 752118656 /nfs/dbraw/zinc/11/86/56/752118656.db2.gz VAIZXOFRJILLJA-GDBMZVCRSA-N 1 2 343.431 0.766 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cc(C)ncn3)C2)C1=O ZINC001007141411 752118663 /nfs/dbraw/zinc/11/86/63/752118663.db2.gz VAIZXOFRJILLJA-GDBMZVCRSA-N 1 2 343.431 0.766 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cnon3)C[C@H]21 ZINC000978841655 746768696 /nfs/dbraw/zinc/76/86/96/746768696.db2.gz OULMFGFZIKBNOA-GVRJEKJASA-N 1 2 332.404 0.845 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cnon3)C[C@H]21 ZINC000978841655 746768700 /nfs/dbraw/zinc/76/87/00/746768700.db2.gz OULMFGFZIKBNOA-GVRJEKJASA-N 1 2 332.404 0.845 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000984668044 746813147 /nfs/dbraw/zinc/81/31/47/746813147.db2.gz ATJSHKCWNAVBEE-OAGGEKHMSA-N 1 2 346.431 0.924 20 30 ECEDLO O=C(NC[C@@H]1[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21)c1nc[nH]n1 ZINC000978879308 746846634 /nfs/dbraw/zinc/84/66/34/746846634.db2.gz OFTIETXZNXEMPL-PHZGNYQRSA-N 1 2 339.374 0.903 20 30 ECEDLO O=C(NC[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21)c1nc[nH]n1 ZINC000978879308 746846640 /nfs/dbraw/zinc/84/66/40/746846640.db2.gz OFTIETXZNXEMPL-PHZGNYQRSA-N 1 2 339.374 0.903 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ncnn4C)C[C@H]32)nc1 ZINC000978992873 747005855 /nfs/dbraw/zinc/00/58/55/747005855.db2.gz QDRXKFPDMVRSMT-QKDCVEJESA-N 1 2 336.399 0.299 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ncnn4C)C[C@H]32)nc1 ZINC000978992873 747005860 /nfs/dbraw/zinc/00/58/60/747005860.db2.gz QDRXKFPDMVRSMT-QKDCVEJESA-N 1 2 336.399 0.299 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nnc(C)[nH]4)C[C@H]32)nc1 ZINC000979013988 747058880 /nfs/dbraw/zinc/05/88/80/747058880.db2.gz GQJRYFPVOGKSDZ-QKDCVEJESA-N 1 2 336.399 0.597 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nnc(C)[nH]4)C[C@H]32)nc1 ZINC000979013988 747058887 /nfs/dbraw/zinc/05/88/87/747058887.db2.gz GQJRYFPVOGKSDZ-QKDCVEJESA-N 1 2 336.399 0.597 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001002224705 747099748 /nfs/dbraw/zinc/09/97/48/747099748.db2.gz UKLCJNKANLMJNF-CABCVRRESA-N 1 2 332.404 0.439 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN(CC)CCO3)[C@@H]2C1 ZINC000979075346 747126497 /nfs/dbraw/zinc/12/64/97/747126497.db2.gz VZSIDUCCPHSGQI-XQLPTFJDSA-N 1 2 327.856 0.754 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CN(CC)CCO3)[C@@H]2C1 ZINC000979075346 747126503 /nfs/dbraw/zinc/12/65/03/747126503.db2.gz VZSIDUCCPHSGQI-XQLPTFJDSA-N 1 2 327.856 0.754 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1COCCO1 ZINC001027766505 747556959 /nfs/dbraw/zinc/55/69/59/747556959.db2.gz SWNTZDCDDXMJDK-RYUDHWBXSA-N 1 2 333.226 0.891 20 30 ECEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1COCCO1 ZINC001027766505 747556962 /nfs/dbraw/zinc/55/69/62/747556962.db2.gz SWNTZDCDDXMJDK-RYUDHWBXSA-N 1 2 333.226 0.891 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3ncccc3O)[C@@H](O)C2)cc1 ZINC001083423466 747630849 /nfs/dbraw/zinc/63/08/49/747630849.db2.gz WWEAANXXAZZDKM-ZBFHGGJFSA-N 1 2 338.367 0.634 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)c3ncccc3O)[C@@H](O)C2)cc1 ZINC001083423466 747630852 /nfs/dbraw/zinc/63/08/52/747630852.db2.gz WWEAANXXAZZDKM-ZBFHGGJFSA-N 1 2 338.367 0.634 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)c3ncccc3O)CC2)C1=O ZINC001002664306 747633532 /nfs/dbraw/zinc/63/35/32/747633532.db2.gz LAOGHBDZORWVCT-CQSZACIVSA-N 1 2 344.415 0.768 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3occc3C)C2)nn1 ZINC001098722674 747678955 /nfs/dbraw/zinc/67/89/55/747678955.db2.gz PQGMDVFDTQOFOG-HNNXBMFYSA-N 1 2 327.388 0.918 20 30 ECEDLO N#Cc1cncc(N2C[C@H]3CC[C@@H](C2)N3C(=O)CCc2c[nH]c[nH+]2)n1 ZINC001058811453 748025917 /nfs/dbraw/zinc/02/59/17/748025917.db2.gz RNLJMYXMECFZCP-GASCZTMLSA-N 1 2 337.387 0.884 20 30 ECEDLO N#Cc1cncc(N2C[C@H]3CC[C@@H](C2)N3C(=O)CCc2c[nH+]c[nH]2)n1 ZINC001058811453 748025922 /nfs/dbraw/zinc/02/59/22/748025922.db2.gz RNLJMYXMECFZCP-GASCZTMLSA-N 1 2 337.387 0.884 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H](C[N@H+](C)Cc2nnc3n2CCOC3)C1 ZINC001029676869 748039475 /nfs/dbraw/zinc/03/94/75/748039475.db2.gz GZBFIUNAVBWHNB-CHWSQXEVSA-N 1 2 332.408 0.248 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H](C[N@@H+](C)Cc2nnc3n2CCOC3)C1 ZINC001029676869 748039484 /nfs/dbraw/zinc/03/94/84/748039484.db2.gz GZBFIUNAVBWHNB-CHWSQXEVSA-N 1 2 332.408 0.248 20 30 ECEDLO Cc1nnc(C[N@H+](C)C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)[nH]1 ZINC001029712748 748126232 /nfs/dbraw/zinc/12/62/32/748126232.db2.gz ZBZBETBYSAMBEN-LBPRGKRZSA-N 1 2 327.392 0.907 20 30 ECEDLO Cc1nnc(C[N@@H+](C)C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)[nH]1 ZINC001029712748 748126237 /nfs/dbraw/zinc/12/62/37/748126237.db2.gz ZBZBETBYSAMBEN-LBPRGKRZSA-N 1 2 327.392 0.907 20 30 ECEDLO C[N@@H+](Cc1nnc2n1CCOC2)C[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001029732975 748175507 /nfs/dbraw/zinc/17/55/07/748175507.db2.gz DEOQEZWEQGSBIE-OAHLLOKOSA-N 1 2 343.431 0.502 20 30 ECEDLO C[N@H+](Cc1nnc2n1CCOC2)C[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001029732975 748175508 /nfs/dbraw/zinc/17/55/08/748175508.db2.gz DEOQEZWEQGSBIE-OAHLLOKOSA-N 1 2 343.431 0.502 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]12 ZINC000979823910 748471759 /nfs/dbraw/zinc/47/17/59/748471759.db2.gz NNSATPOTFZMADS-HYVNUMGLSA-N 1 2 340.427 0.729 20 30 ECEDLO CCCCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001211988732 752276188 /nfs/dbraw/zinc/27/61/88/752276188.db2.gz IRWFNVFFNGRCNM-ARFHVFGLSA-N 1 2 326.437 0.657 20 30 ECEDLO CCCCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001211988732 752276195 /nfs/dbraw/zinc/27/61/95/752276195.db2.gz IRWFNVFFNGRCNM-ARFHVFGLSA-N 1 2 326.437 0.657 20 30 ECEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC001003436351 748554597 /nfs/dbraw/zinc/55/45/97/748554597.db2.gz GCVIWJKPIUQLDT-LLVKDONJSA-N 1 2 345.241 0.499 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2cn(CC)nn2)CC1 ZINC001003652442 748765439 /nfs/dbraw/zinc/76/54/39/748765439.db2.gz NGFCZAHUKBYIAP-CVEARBPZSA-N 1 2 333.436 0.970 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2nnnn2C)C1 ZINC001029847505 748784137 /nfs/dbraw/zinc/78/41/37/748784137.db2.gz UGWFJRQAXVICCY-MCIONIFRSA-N 1 2 334.424 0.082 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2nnnn2C)C1 ZINC001029847505 748784140 /nfs/dbraw/zinc/78/41/40/748784140.db2.gz UGWFJRQAXVICCY-MCIONIFRSA-N 1 2 334.424 0.082 20 30 ECEDLO C=C(C)C[N@@H+](C)C1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC000985705625 748902682 /nfs/dbraw/zinc/90/26/82/748902682.db2.gz ZHNJCISLWKVRCV-UHFFFAOYSA-N 1 2 344.419 0.570 20 30 ECEDLO C=C(C)C[N@H+](C)C1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC000985705625 748902689 /nfs/dbraw/zinc/90/26/89/748902689.db2.gz ZHNJCISLWKVRCV-UHFFFAOYSA-N 1 2 344.419 0.570 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC([N@@H+](C)Cc3ncnn3C)CC2)cn1 ZINC000985756966 749022142 /nfs/dbraw/zinc/02/21/42/749022142.db2.gz LCQUBRPEWOFMRI-UHFFFAOYSA-N 1 2 338.415 0.928 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC([N@H+](C)Cc3ncnn3C)CC2)cn1 ZINC000985756966 749022148 /nfs/dbraw/zinc/02/21/48/749022148.db2.gz LCQUBRPEWOFMRI-UHFFFAOYSA-N 1 2 338.415 0.928 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001013926800 761920764 /nfs/dbraw/zinc/92/07/64/761920764.db2.gz KGOHFQKPMDCQIN-ZWNOBZJWSA-N 1 2 326.360 0.571 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCS(C)(=O)=O ZINC001027890022 749152235 /nfs/dbraw/zinc/15/22/35/749152235.db2.gz MSNBYSXZOQBNPN-ZNMIVQPWSA-N 1 2 344.477 0.593 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCS(C)(=O)=O ZINC001027890022 749152237 /nfs/dbraw/zinc/15/22/37/749152237.db2.gz MSNBYSXZOQBNPN-ZNMIVQPWSA-N 1 2 344.477 0.593 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3cccnc3)CC2)CC1 ZINC000985825355 749182858 /nfs/dbraw/zinc/18/28/58/749182858.db2.gz NCUNGZBGCNDLOE-UHFFFAOYSA-N 1 2 343.431 0.763 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H](C)SC)CC2)CC1 ZINC000985825970 749183545 /nfs/dbraw/zinc/18/35/45/749183545.db2.gz PERMMKMUDLCTFE-CQSZACIVSA-N 1 2 340.493 0.806 20 30 ECEDLO C[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1)N1C(=O)CCC1=O ZINC001004444958 749506247 /nfs/dbraw/zinc/50/62/47/749506247.db2.gz CODSTRULPNFTSN-DZGCQCFKSA-N 1 2 346.431 0.750 20 30 ECEDLO C[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1)N1C(=O)CCC1=O ZINC001004444958 749506252 /nfs/dbraw/zinc/50/62/52/749506252.db2.gz CODSTRULPNFTSN-DZGCQCFKSA-N 1 2 346.431 0.750 20 30 ECEDLO C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001004684009 749753384 /nfs/dbraw/zinc/75/33/84/749753384.db2.gz LISZMNKFACGYTO-DOMZBBRYSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCCCN1C(=O)c1cc(C#N)c[nH]1 ZINC001004799499 749881583 /nfs/dbraw/zinc/88/15/83/749881583.db2.gz KCEBUUSPKLJBPV-FZMZJTMJSA-N 1 2 342.407 0.583 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC000986594152 750165215 /nfs/dbraw/zinc/16/52/15/750165215.db2.gz HTOOPDBNXXTMBE-MJBXVCDLSA-N 1 2 329.404 0.429 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3ccnn3C)CC2)C1=O ZINC000980806695 750203654 /nfs/dbraw/zinc/20/36/54/750203654.db2.gz ZLFLAJHTOKZXOL-OAHLLOKOSA-N 1 2 331.420 0.355 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3ccnn3C)CC2)C1=O ZINC000980806695 750203660 /nfs/dbraw/zinc/20/36/60/750203660.db2.gz ZLFLAJHTOKZXOL-OAHLLOKOSA-N 1 2 331.420 0.355 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[N@H+](CC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000980850106 750259832 /nfs/dbraw/zinc/25/98/32/750259832.db2.gz QHFHHENNCRPIDX-ZIAGYGMSSA-N 1 2 327.450 0.505 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000980850106 750259839 /nfs/dbraw/zinc/25/98/39/750259839.db2.gz QHFHHENNCRPIDX-ZIAGYGMSSA-N 1 2 327.450 0.505 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[N@H+](CC[C@H]2CCS(=O)(=O)C2)CC1 ZINC000980850104 750260103 /nfs/dbraw/zinc/26/01/03/750260103.db2.gz QHFHHENNCRPIDX-KGLIPLIRSA-N 1 2 327.450 0.505 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[N@@H+](CC[C@H]2CCS(=O)(=O)C2)CC1 ZINC000980850104 750260105 /nfs/dbraw/zinc/26/01/05/750260105.db2.gz QHFHHENNCRPIDX-KGLIPLIRSA-N 1 2 327.450 0.505 20 30 ECEDLO CN(C(=O)C[N@@H+]1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1)C1CC1 ZINC000980917650 750353062 /nfs/dbraw/zinc/35/30/62/750353062.db2.gz UOAHJIRSYLFDNM-UHFFFAOYSA-N 1 2 329.404 0.655 20 30 ECEDLO CN(C(=O)C[N@H+]1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1)C1CC1 ZINC000980917650 750353070 /nfs/dbraw/zinc/35/30/70/750353070.db2.gz UOAHJIRSYLFDNM-UHFFFAOYSA-N 1 2 329.404 0.655 20 30 ECEDLO C=C(Br)C[NH2+][C@@H]1CCN(C(=O)Cc2ncn[nH]2)[C@@H]1C ZINC000987323170 750711125 /nfs/dbraw/zinc/71/11/25/750711125.db2.gz UZEPBYWOILMYQF-NXEZZACHSA-N 1 2 328.214 0.835 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001028101918 750802559 /nfs/dbraw/zinc/80/25/59/750802559.db2.gz STORTYQYJYCKRF-SNVBAGLBSA-N 1 2 341.209 0.873 20 30 ECEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001028101918 750802567 /nfs/dbraw/zinc/80/25/67/750802567.db2.gz STORTYQYJYCKRF-SNVBAGLBSA-N 1 2 341.209 0.873 20 30 ECEDLO C[N@@H+]1CCc2ncnc(NC[C@@H](O)CNC(=O)C#CC(C)(C)C)c2C1 ZINC001105825965 762077257 /nfs/dbraw/zinc/07/72/57/762077257.db2.gz UTEQYHZQRKDICG-ZDUSSCGKSA-N 1 2 345.447 0.403 20 30 ECEDLO C[N@H+]1CCc2ncnc(NC[C@@H](O)CNC(=O)C#CC(C)(C)C)c2C1 ZINC001105825965 762077266 /nfs/dbraw/zinc/07/72/66/762077266.db2.gz UTEQYHZQRKDICG-ZDUSSCGKSA-N 1 2 345.447 0.403 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC([C@H](C)NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001005943016 750826600 /nfs/dbraw/zinc/82/66/00/750826600.db2.gz HJURAWIFWUZHGG-JTQLQIEISA-N 1 2 340.387 0.737 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c4ccccc4nn3C)C2)nn1 ZINC001105357811 751002860 /nfs/dbraw/zinc/00/28/60/751002860.db2.gz KGBHXXNHFQBQIO-UHFFFAOYSA-N 1 2 349.398 0.585 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000987624693 751044451 /nfs/dbraw/zinc/04/44/51/751044451.db2.gz HSLVFPMZTMIUJI-RISCZKNCSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000987624693 751044456 /nfs/dbraw/zinc/04/44/56/751044456.db2.gz HSLVFPMZTMIUJI-RISCZKNCSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000987646432 751051696 /nfs/dbraw/zinc/05/16/96/751051696.db2.gz FWOZAYHEATXUNN-ABAIWWIYSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000987646432 751051703 /nfs/dbraw/zinc/05/17/03/751051703.db2.gz FWOZAYHEATXUNN-ABAIWWIYSA-N 1 2 340.387 0.961 20 30 ECEDLO O=C([C@H]1CNC(=O)N1)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000981850605 751191965 /nfs/dbraw/zinc/19/19/65/751191965.db2.gz NHBCMRLXGYXLQN-MRXNPFEDSA-N 1 2 344.390 0.393 20 30 ECEDLO O=C([C@H]1CNC(=O)N1)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000981850605 751191968 /nfs/dbraw/zinc/19/19/68/751191968.db2.gz NHBCMRLXGYXLQN-MRXNPFEDSA-N 1 2 344.390 0.393 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1CC[C@@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001059833491 751199125 /nfs/dbraw/zinc/19/91/25/751199125.db2.gz UZUPIJQTOBRGRW-ZIAGYGMSSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3conc3C)CC2)C1=O ZINC000981866130 751213203 /nfs/dbraw/zinc/21/32/03/751213203.db2.gz TXKGMRBOESMCMP-HNNXBMFYSA-N 1 2 332.404 0.918 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3conc3C)CC2)C1=O ZINC000981866130 751213207 /nfs/dbraw/zinc/21/32/07/751213207.db2.gz TXKGMRBOESMCMP-HNNXBMFYSA-N 1 2 332.404 0.918 20 30 ECEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)C3(C(N)=O)CC3)CC2)ccc1F ZINC000981864856 751216509 /nfs/dbraw/zinc/21/65/09/751216509.db2.gz IFSPZQKWSVQXRO-UHFFFAOYSA-N 1 2 344.390 0.997 20 30 ECEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)C3(C(N)=O)CC3)CC2)ccc1F ZINC000981864856 751216513 /nfs/dbraw/zinc/21/65/13/751216513.db2.gz IFSPZQKWSVQXRO-UHFFFAOYSA-N 1 2 344.390 0.997 20 30 ECEDLO COCc1noc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000988614105 752380829 /nfs/dbraw/zinc/38/08/29/752380829.db2.gz SRMQJNHLUWYDPN-MFKMUULPSA-N 1 2 344.375 0.809 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2cc(OC)ccn2)C[C@H]1OC ZINC001212030247 752428219 /nfs/dbraw/zinc/42/82/19/752428219.db2.gz YVQWDQNAWIDUPP-HZPDHXFCSA-N 1 2 335.404 0.608 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2cc(OC)ccn2)C[C@H]1OC ZINC001212030247 752428224 /nfs/dbraw/zinc/42/82/24/752428224.db2.gz YVQWDQNAWIDUPP-HZPDHXFCSA-N 1 2 335.404 0.608 20 30 ECEDLO CCC(=O)NCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001212041134 752434264 /nfs/dbraw/zinc/43/42/64/752434264.db2.gz GBAGZIBGKIAKDV-HZPDHXFCSA-N 1 2 344.415 0.400 20 30 ECEDLO CCC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001212041134 752434269 /nfs/dbraw/zinc/43/42/69/752434269.db2.gz GBAGZIBGKIAKDV-HZPDHXFCSA-N 1 2 344.415 0.400 20 30 ECEDLO COCCOCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001212044916 752438614 /nfs/dbraw/zinc/43/86/14/752438614.db2.gz DFHBAJFQMTYMKD-QZTJIDSGSA-N 1 2 346.427 0.517 20 30 ECEDLO COCCOCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001212044916 752438617 /nfs/dbraw/zinc/43/86/17/752438617.db2.gz DFHBAJFQMTYMKD-QZTJIDSGSA-N 1 2 346.427 0.517 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(OC)cc3)C2)nn1 ZINC001105366506 752463367 /nfs/dbraw/zinc/46/33/67/752463367.db2.gz TTWYUTXPOLEVIQ-UHFFFAOYSA-N 1 2 325.372 0.707 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@@H]2C)c1 ZINC001014045005 762134352 /nfs/dbraw/zinc/13/43/52/762134352.db2.gz TUYBOJPFMYPELR-BLLLJJGKSA-N 1 2 337.383 0.748 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)c1 ZINC001014047016 762137936 /nfs/dbraw/zinc/13/79/36/762137936.db2.gz SWPXDZMTFQHAJZ-DOMZBBRYSA-N 1 2 337.383 0.748 20 30 ECEDLO C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCCC)C[C@H]1OC ZINC001212092543 752712886 /nfs/dbraw/zinc/71/28/86/752712886.db2.gz GDOLQNRQTJTRLL-HUUCEWRRSA-N 1 2 341.452 0.311 20 30 ECEDLO C=CCOCCCC(=O)N[C@@H]1C[N@H+](CC(=O)NCCC)C[C@H]1OC ZINC001212092543 752712888 /nfs/dbraw/zinc/71/28/88/752712888.db2.gz GDOLQNRQTJTRLL-HUUCEWRRSA-N 1 2 341.452 0.311 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)/C=C/c2ccco2)[C@H](OC)C1 ZINC001211787801 752737832 /nfs/dbraw/zinc/73/78/32/752737832.db2.gz PCNNJAPRYISEOE-VVTOVXDBSA-N 1 2 345.399 0.246 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)/C=C/c2ccco2)[C@H](OC)C1 ZINC001211787801 752737836 /nfs/dbraw/zinc/73/78/36/752737836.db2.gz PCNNJAPRYISEOE-VVTOVXDBSA-N 1 2 345.399 0.246 20 30 ECEDLO C[C@H](c1nnnn1C)[N@@H+]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028467577 752761376 /nfs/dbraw/zinc/76/13/76/752761376.db2.gz FOAQDSNVBOLGKP-GHMZBOCLSA-N 1 2 328.380 0.223 20 30 ECEDLO C[C@H](c1nnnn1C)[N@H+]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028467577 752761381 /nfs/dbraw/zinc/76/13/81/752761381.db2.gz FOAQDSNVBOLGKP-GHMZBOCLSA-N 1 2 328.380 0.223 20 30 ECEDLO COCc1noc(C[N@@H+]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001028471301 752773546 /nfs/dbraw/zinc/77/35/46/752773546.db2.gz VXLUKKLVBICIDK-LLVKDONJSA-N 1 2 344.375 0.668 20 30 ECEDLO COCc1noc(C[N@H+]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001028471301 752773550 /nfs/dbraw/zinc/77/35/50/752773550.db2.gz VXLUKKLVBICIDK-LLVKDONJSA-N 1 2 344.375 0.668 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@]2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)CCO2 ZINC001007685081 752786457 /nfs/dbraw/zinc/78/64/57/752786457.db2.gz MUXCGORUQLCAKM-GOSISDBHSA-N 1 2 346.431 0.994 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCO[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001007685397 752787302 /nfs/dbraw/zinc/78/73/02/752787302.db2.gz QXRSOWIFXJZSCC-PBHICJAKSA-N 1 2 345.403 0.263 20 30 ECEDLO N#Cc1cncc(N[C@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)n1 ZINC001058995662 752807488 /nfs/dbraw/zinc/80/74/88/752807488.db2.gz QSUIBEOSZOSUGS-STQMWFEESA-N 1 2 337.387 0.820 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](Cc3nnnn3C3CC3)C2)[nH]1 ZINC001028490718 752832588 /nfs/dbraw/zinc/83/25/88/752832588.db2.gz NOEICPMPFWFUGW-NSHDSACASA-N 1 2 340.391 0.460 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](Cc3nnnn3C3CC3)C2)[nH]1 ZINC001028490718 752832595 /nfs/dbraw/zinc/83/25/95/752832595.db2.gz NOEICPMPFWFUGW-NSHDSACASA-N 1 2 340.391 0.460 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000989053669 753189084 /nfs/dbraw/zinc/18/90/84/753189084.db2.gz IBYIYBPDCAYYQS-OJLVUWQFSA-N 1 2 346.431 0.659 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccsc2)[C@H](OC)C1 ZINC001211822944 753413007 /nfs/dbraw/zinc/41/30/07/753413007.db2.gz OSBPYKOKGUADCR-IACUBPJLSA-N 1 2 337.445 0.868 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccsc2)[C@H](OC)C1 ZINC001211822944 753413011 /nfs/dbraw/zinc/41/30/11/753413011.db2.gz OSBPYKOKGUADCR-IACUBPJLSA-N 1 2 337.445 0.868 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC000989190868 753449398 /nfs/dbraw/zinc/44/93/98/753449398.db2.gz KPHRVDDQGUMUKL-NYTXWWLZSA-N 1 2 346.431 0.957 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C[C@H]2C)cc1 ZINC000989272619 753554975 /nfs/dbraw/zinc/55/49/75/753554975.db2.gz FPBAHCDEUIRZDS-DOMZBBRYSA-N 1 2 339.399 0.483 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC[C@@H]3CCOC3)C2)nn1 ZINC001098649223 753651965 /nfs/dbraw/zinc/65/19/65/753651965.db2.gz MSGXKRCLNRLRDC-ZBFHGGJFSA-N 1 2 331.420 0.591 20 30 ECEDLO N#Cc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CCCOC3)[C@@H](O)C2)ccc1F ZINC001083367623 753697282 /nfs/dbraw/zinc/69/72/82/753697282.db2.gz MQNIFKLYBSBEHJ-XKQJLSEDSA-N 1 2 347.390 0.785 20 30 ECEDLO N#Cc1cc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CCCOC3)[C@@H](O)C2)ccc1F ZINC001083367623 753697287 /nfs/dbraw/zinc/69/72/87/753697287.db2.gz MQNIFKLYBSBEHJ-XKQJLSEDSA-N 1 2 347.390 0.785 20 30 ECEDLO Cc1[nH]nc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)c1C ZINC001083377162 753728288 /nfs/dbraw/zinc/72/82/88/753728288.db2.gz DITQSKQSTDZCKY-CVEARBPZSA-N 1 2 339.399 0.873 20 30 ECEDLO Cc1[nH]nc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)c1C ZINC001083377162 753728290 /nfs/dbraw/zinc/72/82/90/753728290.db2.gz DITQSKQSTDZCKY-CVEARBPZSA-N 1 2 339.399 0.873 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)cn1 ZINC001014100245 762246782 /nfs/dbraw/zinc/24/67/82/762246782.db2.gz IOPQFPIVMSCACQ-BLLLJJGKSA-N 1 2 337.383 0.748 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)nc1 ZINC001014101306 762249348 /nfs/dbraw/zinc/24/93/48/762249348.db2.gz WMKDYGRLFDZMLR-IUODEOHRSA-N 1 2 337.383 0.748 20 30 ECEDLO C#CCC[N@H+]1CCCN(C(=O)C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000989430524 753898063 /nfs/dbraw/zinc/89/80/63/753898063.db2.gz FVHYBCMVLBJJKG-OAHLLOKOSA-N 1 2 326.462 0.759 20 30 ECEDLO C#CCC[N@@H+]1CCCN(C(=O)C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000989430524 753898066 /nfs/dbraw/zinc/89/80/66/753898066.db2.gz FVHYBCMVLBJJKG-OAHLLOKOSA-N 1 2 326.462 0.759 20 30 ECEDLO CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001105595911 753944529 /nfs/dbraw/zinc/94/45/29/753944529.db2.gz QIUDJADRHXPNSN-VXGBXAGGSA-N 1 2 325.376 0.770 20 30 ECEDLO CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001105595911 753944534 /nfs/dbraw/zinc/94/45/34/753944534.db2.gz QIUDJADRHXPNSN-VXGBXAGGSA-N 1 2 325.376 0.770 20 30 ECEDLO C[C@@H](CCNC(=O)CSCC#N)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001075678227 754032798 /nfs/dbraw/zinc/03/27/98/754032798.db2.gz RCQQXWFIRDMHRY-STQMWFEESA-N 1 2 349.460 0.713 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+](CC(=O)NC3CC3)CC2)nc1 ZINC000989505356 754056215 /nfs/dbraw/zinc/05/62/15/754056215.db2.gz LNOCZELYZONZBW-UHFFFAOYSA-N 1 2 326.400 0.489 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@H+](CC(=O)NC3CC3)CC2)nc1 ZINC000989505356 754056221 /nfs/dbraw/zinc/05/62/21/754056221.db2.gz LNOCZELYZONZBW-UHFFFAOYSA-N 1 2 326.400 0.489 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3oncc3C)C2)C1=O ZINC001009077328 754514310 /nfs/dbraw/zinc/51/43/10/754514310.db2.gz XABNGDDYPWNGBQ-KGLIPLIRSA-N 1 2 332.404 0.964 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3oncc3C)C2)C1=O ZINC001009077328 754514313 /nfs/dbraw/zinc/51/43/13/754514313.db2.gz XABNGDDYPWNGBQ-KGLIPLIRSA-N 1 2 332.404 0.964 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001060001718 754554908 /nfs/dbraw/zinc/55/49/08/754554908.db2.gz FDKFTKWDNOBGES-HOTGVXAUSA-N 1 2 346.431 0.666 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001009196641 754640429 /nfs/dbraw/zinc/64/04/29/754640429.db2.gz LDTLFEJHMLVGAG-QCODTGAPSA-N 1 2 338.411 0.747 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001009196641 754640432 /nfs/dbraw/zinc/64/04/32/754640432.db2.gz LDTLFEJHMLVGAG-QCODTGAPSA-N 1 2 338.411 0.747 20 30 ECEDLO Cn1cc(C[N@@H+]2CC[C@]3(NC(=O)c4cc(C#N)c[nH]4)CCC[C@H]23)nn1 ZINC000990161945 754787149 /nfs/dbraw/zinc/78/71/49/754787149.db2.gz NJUZKPQSRRQNBR-DOTOQJQBSA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1cc(C[N@H+]2CC[C@]3(NC(=O)c4cc(C#N)c[nH]4)CCC[C@H]23)nn1 ZINC000990161945 754787153 /nfs/dbraw/zinc/78/71/53/754787153.db2.gz NJUZKPQSRRQNBR-DOTOQJQBSA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1cc(C[N@@H+]2CC[C@]3(NC(=O)c4ccc(C#N)[nH]4)CCC[C@@H]23)nn1 ZINC000990275149 754929363 /nfs/dbraw/zinc/92/93/63/754929363.db2.gz FCWXPOTYHCWNRT-NVXWUHKLSA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1cc(C[N@H+]2CC[C@]3(NC(=O)c4ccc(C#N)[nH]4)CCC[C@@H]23)nn1 ZINC000990275149 754929365 /nfs/dbraw/zinc/92/93/65/754929365.db2.gz FCWXPOTYHCWNRT-NVXWUHKLSA-N 1 2 339.403 0.942 20 30 ECEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2N(C(=O)C#CC2CC2)CC3)C1 ZINC001014223824 762374277 /nfs/dbraw/zinc/37/42/77/762374277.db2.gz FCUNYEXSDXEXSE-FCEWJHQRSA-N 1 2 345.443 0.370 20 30 ECEDLO C[N@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2N(C(=O)C#CC2CC2)CC3)C1 ZINC001014223824 762374282 /nfs/dbraw/zinc/37/42/82/762374282.db2.gz FCUNYEXSDXEXSE-FCEWJHQRSA-N 1 2 345.443 0.370 20 30 ECEDLO N#Cc1nccnc1NC[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001060038697 755263247 /nfs/dbraw/zinc/26/32/47/755263247.db2.gz GYRSXBFFRDUXEG-CYBMUJFWSA-N 1 2 325.376 0.895 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)[C@H]1C ZINC001088796034 755717507 /nfs/dbraw/zinc/71/75/07/755717507.db2.gz UWJMVJFURLJBND-OUAUKWLOSA-N 1 2 345.241 0.498 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)[C@H]1C ZINC001088796034 755717509 /nfs/dbraw/zinc/71/75/09/755717509.db2.gz UWJMVJFURLJBND-OUAUKWLOSA-N 1 2 345.241 0.498 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000990724653 755772698 /nfs/dbraw/zinc/77/26/98/755772698.db2.gz YNAYFRBIHHEBSS-UHFFFAOYSA-N 1 2 339.355 0.473 20 30 ECEDLO Cn1cc(Br)c(C[NH2+]CCNC(=O)C#CC2CC2)n1 ZINC001126881334 755778515 /nfs/dbraw/zinc/77/85/15/755778515.db2.gz PDYJSTIBNRGOLY-UHFFFAOYSA-N 1 2 325.210 0.802 20 30 ECEDLO Cc1nc(N(C)C)nc(NC2CC(N(C)C(=O)CSCC#N)C2)[nH+]1 ZINC001126887196 755802862 /nfs/dbraw/zinc/80/28/62/755802862.db2.gz CQLWODBNSPUJJH-UHFFFAOYSA-N 1 2 349.464 0.904 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c(C)oc3nc[nH]c(=O)c32)[C@@H](O)C1 ZINC001083525568 755913383 /nfs/dbraw/zinc/91/33/83/755913383.db2.gz ZFBGPMDKMDACNS-MNOVXSKESA-N 1 2 330.344 0.035 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)oc3nc[nH]c(=O)c32)[C@@H](O)C1 ZINC001083525568 755913386 /nfs/dbraw/zinc/91/33/86/755913386.db2.gz ZFBGPMDKMDACNS-MNOVXSKESA-N 1 2 330.344 0.035 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ncc(C)s2)C[C@@H]1O ZINC001083535939 755975899 /nfs/dbraw/zinc/97/58/99/755975899.db2.gz VKTUKEPJZWZPIH-ILXRZTDVSA-N 1 2 348.472 0.210 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ncc(C)s2)C[C@@H]1O ZINC001083535939 755975903 /nfs/dbraw/zinc/97/59/03/755975903.db2.gz VKTUKEPJZWZPIH-ILXRZTDVSA-N 1 2 348.472 0.210 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCNC(=O)C3)C2)c(F)c1 ZINC001010547587 756227918 /nfs/dbraw/zinc/22/79/18/756227918.db2.gz UUKKPPOVMVEUKN-ZFWWWQNUSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCNC(=O)C3)C2)c(F)c1 ZINC001010547587 756227921 /nfs/dbraw/zinc/22/79/21/756227921.db2.gz UUKKPPOVMVEUKN-ZFWWWQNUSA-N 1 2 344.390 0.914 20 30 ECEDLO O=C(C#CC1CC1)N1CCO[C@H](C[NH2+]Cc2nc(CC3CC3)no2)C1 ZINC001051609575 762459737 /nfs/dbraw/zinc/45/97/37/762459737.db2.gz WRPQOSROENPWJM-OAHLLOKOSA-N 1 2 344.415 0.753 20 30 ECEDLO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001010670832 756376969 /nfs/dbraw/zinc/37/69/69/756376969.db2.gz QTMZOJSMTZFZIW-GFCCVEGCSA-N 1 2 326.360 0.689 20 30 ECEDLO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001010670832 756376974 /nfs/dbraw/zinc/37/69/74/756376974.db2.gz QTMZOJSMTZFZIW-GFCCVEGCSA-N 1 2 326.360 0.689 20 30 ECEDLO C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001076431311 756500596 /nfs/dbraw/zinc/50/05/96/756500596.db2.gz CBQKEOADZXINFC-ZFWWWQNUSA-N 1 2 328.416 0.870 20 30 ECEDLO C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001076506583 756576931 /nfs/dbraw/zinc/57/69/31/756576931.db2.gz ZFUUJGBTECWUPP-GJZGRUSLSA-N 1 2 346.431 0.496 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001076510767 756604762 /nfs/dbraw/zinc/60/47/62/756604762.db2.gz UHEMBCCCHAKHBF-UONOGXRCSA-N 1 2 342.399 0.997 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001010867406 756616728 /nfs/dbraw/zinc/61/67/28/756616728.db2.gz BAGPYQIWTBVBCE-CQSZACIVSA-N 1 2 340.387 0.700 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001010867406 756616732 /nfs/dbraw/zinc/61/67/32/756616732.db2.gz BAGPYQIWTBVBCE-CQSZACIVSA-N 1 2 340.387 0.700 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@]2(C)CN(C(=O)Cc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC001010990272 756732563 /nfs/dbraw/zinc/73/25/63/756732563.db2.gz DLZPKVOKPVGRMO-DOPJRALCSA-N 1 2 343.431 0.819 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)C1CCOCC1 ZINC001076668072 756808474 /nfs/dbraw/zinc/80/84/74/756808474.db2.gz YQALFYAMNXHRDO-QZTJIDSGSA-N 1 2 328.412 0.626 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)C1CCOCC1 ZINC001076668072 756808475 /nfs/dbraw/zinc/80/84/75/756808475.db2.gz YQALFYAMNXHRDO-QZTJIDSGSA-N 1 2 328.412 0.626 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccsc3)C2)C1=O ZINC001076706618 756896976 /nfs/dbraw/zinc/89/69/76/756896976.db2.gz PZBIFEDURQKCPF-RBSFLKMASA-N 1 2 349.456 0.239 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccsc3)C2)C1=O ZINC001076706618 756896984 /nfs/dbraw/zinc/89/69/84/756896984.db2.gz PZBIFEDURQKCPF-RBSFLKMASA-N 1 2 349.456 0.239 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)OCC(C)C)nn2)C1 ZINC001107140703 756962772 /nfs/dbraw/zinc/96/27/72/756962772.db2.gz ROMWHBZFVPMOFG-AWEZNQCLSA-N 1 2 333.436 0.835 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCCOC3)nn2)C1 ZINC001107142724 757011451 /nfs/dbraw/zinc/01/14/51/757011451.db2.gz NEXXDEKDEQNRME-CQSZACIVSA-N 1 2 349.435 0.380 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cnsn3)C2)cc1 ZINC001076766847 757052745 /nfs/dbraw/zinc/05/27/45/757052745.db2.gz DSMLHSGRDIRSHX-ZIAGYGMSSA-N 1 2 329.385 0.385 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cnsn3)C2)cc1 ZINC001076766847 757052754 /nfs/dbraw/zinc/05/27/54/757052754.db2.gz DSMLHSGRDIRSHX-ZIAGYGMSSA-N 1 2 329.385 0.385 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3cn(C)cn3)nn2)C1 ZINC001107156547 757135274 /nfs/dbraw/zinc/13/52/74/757135274.db2.gz BXGUVDWATSMNAG-UHFFFAOYSA-N 1 2 345.407 0.001 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3=CCCCC3)C2)C1=O ZINC001076811132 757252171 /nfs/dbraw/zinc/25/21/71/757252171.db2.gz ALICANMVNNPUQZ-IXDOHACOSA-N 1 2 347.459 0.825 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC3=CCCCC3)C2)C1=O ZINC001076811132 757252180 /nfs/dbraw/zinc/25/21/80/757252180.db2.gz ALICANMVNNPUQZ-IXDOHACOSA-N 1 2 347.459 0.825 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC001011252457 757292858 /nfs/dbraw/zinc/29/28/58/757292858.db2.gz KBONJBCDFWAJLO-CYBMUJFWSA-N 1 2 346.456 0.937 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC001011252457 757292866 /nfs/dbraw/zinc/29/28/66/757292866.db2.gz KBONJBCDFWAJLO-CYBMUJFWSA-N 1 2 346.456 0.937 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)Cc3nc(CC)c[nH]3)nn2)C1 ZINC001107180160 757298118 /nfs/dbraw/zinc/29/81/18/757298118.db2.gz DEMBYTZNTTXWDH-UHFFFAOYSA-N 1 2 343.435 0.855 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[C@@H]3CCC(=O)NC3)nn2)C1 ZINC001107178388 757334683 /nfs/dbraw/zinc/33/46/83/757334683.db2.gz VJFFYJYXJQGEPK-ZDUSSCGKSA-N 1 2 346.435 0.243 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCc3nccn3C)nn2)C1 ZINC001107187072 757389036 /nfs/dbraw/zinc/38/90/36/757389036.db2.gz MUMLIRGIXWSWHW-UHFFFAOYSA-N 1 2 343.435 0.693 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCOC[C@H]3CCCO3)nn2)C1 ZINC001107184693 757416655 /nfs/dbraw/zinc/41/66/55/757416655.db2.gz RPOMJPWZMTZNGL-MRXNPFEDSA-N 1 2 349.435 0.523 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCOC[C@@H]3CCCO3)nn2)C1 ZINC001107184692 757416944 /nfs/dbraw/zinc/41/69/44/757416944.db2.gz RPOMJPWZMTZNGL-INIZCTEOSA-N 1 2 349.435 0.523 20 30 ECEDLO Cc1cnc([C@H](C)[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cn1 ZINC001076898425 757516864 /nfs/dbraw/zinc/51/68/64/757516864.db2.gz INZSECLHMJFCFZ-IUIKQTSFSA-N 1 2 340.387 0.521 20 30 ECEDLO Cc1cnc([C@H](C)[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cn1 ZINC001076898425 757516870 /nfs/dbraw/zinc/51/68/70/757516870.db2.gz INZSECLHMJFCFZ-IUIKQTSFSA-N 1 2 340.387 0.521 20 30 ECEDLO C=CCCCC(=O)NCc1cn(C2C[NH+](C[C@H](O)COC)C2)nn1 ZINC001107199557 757587918 /nfs/dbraw/zinc/58/79/18/757587918.db2.gz MHELXEDSQMINQK-HNNXBMFYSA-N 1 2 337.424 0.115 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3=CCCCCC3)C2)C1=O ZINC001076924715 757613533 /nfs/dbraw/zinc/61/35/33/757613533.db2.gz BDVOOBGAKPMOKF-IXDOHACOSA-N 1 2 347.459 0.825 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3=CCCCCC3)C2)C1=O ZINC001076924715 757613540 /nfs/dbraw/zinc/61/35/40/757613540.db2.gz BDVOOBGAKPMOKF-IXDOHACOSA-N 1 2 347.459 0.825 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)Cn3cc(Cl)cn3)nn2)C1 ZINC001107215061 757790993 /nfs/dbraw/zinc/79/09/93/757790993.db2.gz AVCJEXMHKNXENR-UHFFFAOYSA-N 1 2 347.810 0.324 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H](C)OCCOC)nn2)C1 ZINC001107217593 757824295 /nfs/dbraw/zinc/82/42/95/757824295.db2.gz QWLPPHHRVRAHGP-CYBMUJFWSA-N 1 2 337.424 0.379 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4nnc(C)[nH]4)C[C@@H]3C2)nn1 ZINC001049103602 757966014 /nfs/dbraw/zinc/96/60/14/757966014.db2.gz PJUJGQPYFLIISG-BETUJISGSA-N 1 2 342.407 0.095 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4nnc(C)[nH]4)C[C@@H]3C2)nn1 ZINC001049103602 757966020 /nfs/dbraw/zinc/96/60/20/757966020.db2.gz PJUJGQPYFLIISG-BETUJISGSA-N 1 2 342.407 0.095 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCOCCCOC)nn2)C1 ZINC001107227886 757982344 /nfs/dbraw/zinc/98/23/44/757982344.db2.gz TVXCKNRHKPRWEF-UHFFFAOYSA-N 1 2 349.435 0.218 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](C)N3CCCCC3=O)nn2)C1 ZINC001107238946 758036066 /nfs/dbraw/zinc/03/60/66/758036066.db2.gz YJNGGWDCSGAWHD-ZDUSSCGKSA-N 1 2 346.435 0.338 20 30 ECEDLO N#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)[nH]1 ZINC001022035507 758189721 /nfs/dbraw/zinc/18/97/21/758189721.db2.gz PNGGCTMCFAOMBW-SWLSCSKDSA-N 1 2 338.371 0.456 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001077106500 758201666 /nfs/dbraw/zinc/20/16/66/758201666.db2.gz NUOFWOLTYWTLBT-LSDHHAIUSA-N 1 2 346.431 0.496 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001011701752 758353040 /nfs/dbraw/zinc/35/30/40/758353040.db2.gz KSXYZUIIRXBCGO-WCQYABFASA-N 1 2 340.387 0.961 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC/C=C/CNc1ncnc2c1C[N@H+](C)CC2 ZINC001107346419 758358206 /nfs/dbraw/zinc/35/82/06/758358206.db2.gz OZBVNKLSYDXHSP-VBROQKIQSA-N 1 2 343.431 0.587 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC/C=C/CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001107346419 758358223 /nfs/dbraw/zinc/35/82/23/758358223.db2.gz OZBVNKLSYDXHSP-VBROQKIQSA-N 1 2 343.431 0.587 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2nnc(C)[nH]2)C1 ZINC001022220594 758441698 /nfs/dbraw/zinc/44/16/98/758441698.db2.gz KYIXSCQMONIZFK-RZFFKMDDSA-N 1 2 330.436 0.509 20 30 ECEDLO N#Cc1cnccc1NC/C=C/CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001107394793 758453165 /nfs/dbraw/zinc/45/31/65/758453165.db2.gz POVULXZYTWCRRT-VSZDKKFSSA-N 1 2 336.399 0.919 20 30 ECEDLO N#Cc1ccc(NC/C=C\CNC(=O)[C@H]2CCn3cc[nH+]c3C2)nn1 ZINC001107395356 758454047 /nfs/dbraw/zinc/45/40/47/758454047.db2.gz YMGJEHQQRQZAQV-FYDYADQUSA-N 1 2 337.387 0.892 20 30 ECEDLO N#Cc1ccc(NC/C=C/CNC(=O)[C@H]2CCn3cc[nH+]c3C2)nn1 ZINC001107395355 758454223 /nfs/dbraw/zinc/45/42/23/758454223.db2.gz YMGJEHQQRQZAQV-AORQRIRUSA-N 1 2 337.387 0.892 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC001049276920 758468898 /nfs/dbraw/zinc/46/88/98/758468898.db2.gz YVMGRRJTVUTVKU-ILXRZTDVSA-N 1 2 334.420 0.516 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(=O)Nc1cnccn1 ZINC001049381173 758600780 /nfs/dbraw/zinc/60/07/80/758600780.db2.gz JJXFBVQDPNHEOL-HZSPNIEDSA-N 1 2 342.403 0.640 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(=O)Nc1cnccn1 ZINC001049381173 758600783 /nfs/dbraw/zinc/60/07/83/758600783.db2.gz JJXFBVQDPNHEOL-HZSPNIEDSA-N 1 2 342.403 0.640 20 30 ECEDLO Cn1cc(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)c2cc(C#N)c[nH]2)nn1 ZINC001049400112 758632657 /nfs/dbraw/zinc/63/26/57/758632657.db2.gz DNAODLUYEMLRPO-HZPDHXFCSA-N 1 2 339.403 0.894 20 30 ECEDLO Cn1cc(C[N@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)c2cc(C#N)c[nH]2)nn1 ZINC001049400112 758632666 /nfs/dbraw/zinc/63/26/66/758632666.db2.gz DNAODLUYEMLRPO-HZPDHXFCSA-N 1 2 339.403 0.894 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N(C)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC001049449914 758722968 /nfs/dbraw/zinc/72/29/68/758722968.db2.gz OCWLFGDUDGVBHF-GDZNZVCISA-N 1 2 334.420 0.585 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N(C)[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1O ZINC001049449990 758723098 /nfs/dbraw/zinc/72/30/98/758723098.db2.gz OPQNSFKKXYAATI-RLFYNMQTSA-N 1 2 348.447 0.906 20 30 ECEDLO C=CCCC1(C(=O)N(C)[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2O)CC1 ZINC001049454036 758732977 /nfs/dbraw/zinc/73/29/77/758732977.db2.gz OWTNBKLQJFTPKL-GJZGRUSLSA-N 1 2 346.431 0.660 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H]1C ZINC001011940836 759009231 /nfs/dbraw/zinc/00/92/31/759009231.db2.gz RRJHOWLRPVSYAR-AAEUAGOBSA-N 1 2 340.387 0.880 20 30 ECEDLO C=CCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)CCC1 ZINC001049631222 759019925 /nfs/dbraw/zinc/01/99/25/759019925.db2.gz JFVDIIKXQYCZKR-GJZGRUSLSA-N 1 2 346.431 0.729 20 30 ECEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@H+]([C@H](CC)C(N)=O)C[C@@H]1O ZINC001083578696 759051335 /nfs/dbraw/zinc/05/13/35/759051335.db2.gz YTDRZZAHRDAWNL-KFWWJZLASA-N 1 2 347.415 0.290 20 30 ECEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+]([C@H](CC)C(N)=O)C[C@@H]1O ZINC001083578696 759051344 /nfs/dbraw/zinc/05/13/44/759051344.db2.gz YTDRZZAHRDAWNL-KFWWJZLASA-N 1 2 347.415 0.290 20 30 ECEDLO N#Cc1nccc(NC[C@@H]2CCC[C@@H]2NC(=O)CCc2c[nH]c[nH+]2)n1 ZINC001105693698 759061553 /nfs/dbraw/zinc/06/15/53/759061553.db2.gz IFZDTCBMRNDBJO-JSGCOSHPSA-N 1 2 339.403 0.823 20 30 ECEDLO N#Cc1nccc(NC[C@@H]2CCC[C@@H]2NC(=O)CCc2c[nH+]c[nH]2)n1 ZINC001105693698 759061561 /nfs/dbraw/zinc/06/15/61/759061561.db2.gz IFZDTCBMRNDBJO-JSGCOSHPSA-N 1 2 339.403 0.823 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001022750444 759083170 /nfs/dbraw/zinc/08/31/70/759083170.db2.gz FVHVCNLPGJBYIT-XZDPQHSOSA-N 1 2 344.415 0.603 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3noc(CC)n3)C2)nn1 ZINC001022824514 759146958 /nfs/dbraw/zinc/14/69/58/759146958.db2.gz FJRLGZOQAQGBJJ-PHIMTYICSA-N 1 2 331.380 0.460 20 30 ECEDLO C=CCCOCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001051691289 762700279 /nfs/dbraw/zinc/70/02/79/762700279.db2.gz BUVWKNRARUJPHI-ZIAGYGMSSA-N 1 2 334.420 0.898 20 30 ECEDLO CC(C)C#CC(=O)N1CCC(OC2C[NH+](CCn3cncn3)C2)CC1 ZINC001105707212 759559888 /nfs/dbraw/zinc/55/98/88/759559888.db2.gz RKRKYCZVKSCBHO-UHFFFAOYSA-N 1 2 345.447 0.629 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)CC1 ZINC001012331739 759730610 /nfs/dbraw/zinc/73/06/10/759730610.db2.gz YUNQRTQFVBVESB-HNNXBMFYSA-N 1 2 348.447 0.462 20 30 ECEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)Cn3nccn3)CC2)C1 ZINC001105709337 759810374 /nfs/dbraw/zinc/81/03/74/759810374.db2.gz HVULCRQWGLCVRY-UHFFFAOYSA-N 1 2 349.435 0.173 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001012539242 760231554 /nfs/dbraw/zinc/23/15/54/760231554.db2.gz OSALXRXEAOHXQM-FZMZJTMJSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001050410351 760239289 /nfs/dbraw/zinc/23/92/89/760239289.db2.gz FNGBWQBGZSWYHL-OCCSQVGLSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001050484308 760340400 /nfs/dbraw/zinc/34/04/00/760340400.db2.gz SLIPIIMYCFBIOB-RYUDHWBXSA-N 1 2 340.387 0.819 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1noc(-c2ccccc2)n1 ZINC001127052483 760499070 /nfs/dbraw/zinc/49/90/70/760499070.db2.gz YPRHMVFKSUWAPZ-CYBMUJFWSA-N 1 2 328.372 0.981 20 30 ECEDLO C[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2CNc2ccc(C#N)nn2)C1 ZINC001060225615 760502100 /nfs/dbraw/zinc/50/21/00/760502100.db2.gz VTIKDWMLJBUYDO-CABCVRRESA-N 1 2 344.419 0.472 20 30 ECEDLO C[N@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2CNc2ccc(C#N)nn2)C1 ZINC001060225615 760502109 /nfs/dbraw/zinc/50/21/09/760502109.db2.gz VTIKDWMLJBUYDO-CABCVRRESA-N 1 2 344.419 0.472 20 30 ECEDLO C[C@H](NC(=O)CSCC#N)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001050571878 760512921 /nfs/dbraw/zinc/51/29/21/760512921.db2.gz HMWMHHICYVDJHR-QWHCGFSZSA-N 1 2 349.460 0.952 20 30 ECEDLO COCCc1noc(C[NH2+][C@H]2CN(C(=O)C#CC3CC3)CC2(C)C)n1 ZINC000995773610 760586041 /nfs/dbraw/zinc/58/60/41/760586041.db2.gz DICMEIAHERASIB-AWEZNQCLSA-N 1 2 346.431 0.999 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001050728113 760740105 /nfs/dbraw/zinc/74/01/05/760740105.db2.gz JSFUZSAVAHVQJL-ZIAGYGMSSA-N 1 2 332.404 0.345 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cn(CCOC)nn1 ZINC001050911125 761124728 /nfs/dbraw/zinc/12/47/28/761124728.db2.gz PEPLGGPZRAVMTN-CQSZACIVSA-N 1 2 337.424 0.321 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cn(CCOC)nn1 ZINC001050911125 761124734 /nfs/dbraw/zinc/12/47/34/761124734.db2.gz PEPLGGPZRAVMTN-CQSZACIVSA-N 1 2 337.424 0.321 20 30 ECEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CN(C)C(=O)C(C)C)CC2)C1 ZINC001105713604 761237146 /nfs/dbraw/zinc/23/71/46/761237146.db2.gz LZURUPJIMRDRBX-UHFFFAOYSA-N 1 2 337.464 0.979 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cn(C)nc1COC ZINC001050991117 761285894 /nfs/dbraw/zinc/28/58/94/761285894.db2.gz VAPZUZUMOWJQHJ-CQSZACIVSA-N 1 2 336.436 0.963 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cn(C)nc1COC ZINC001050991117 761285896 /nfs/dbraw/zinc/28/58/96/761285896.db2.gz VAPZUZUMOWJQHJ-CQSZACIVSA-N 1 2 336.436 0.963 20 30 ECEDLO C=CCOCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001050993533 761289524 /nfs/dbraw/zinc/28/95/24/761289524.db2.gz NPGWSBFLGJRWNF-ZIAGYGMSSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCOCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001050993533 761289526 /nfs/dbraw/zinc/28/95/26/761289526.db2.gz NPGWSBFLGJRWNF-ZIAGYGMSSA-N 1 2 334.420 0.898 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cc1c[nH+]cn1C ZINC001013329676 761313912 /nfs/dbraw/zinc/31/39/12/761313912.db2.gz WCUGTMGZZSDWJC-DGCLKSJQSA-N 1 2 340.387 0.582 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001051016918 761342448 /nfs/dbraw/zinc/34/24/48/761342448.db2.gz ILIAKKIYPLQNHK-ZIAGYGMSSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nncn2CC1 ZINC001051030617 761366030 /nfs/dbraw/zinc/36/60/30/761366030.db2.gz BTYWAWHQBFETFI-CABCVRRESA-N 1 2 333.436 0.624 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nncn2CC1 ZINC001051030617 761366038 /nfs/dbraw/zinc/36/60/38/761366038.db2.gz BTYWAWHQBFETFI-CABCVRRESA-N 1 2 333.436 0.624 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCc2nncn2CC1 ZINC001051030620 761366274 /nfs/dbraw/zinc/36/62/74/761366274.db2.gz BTYWAWHQBFETFI-LSDHHAIUSA-N 1 2 333.436 0.624 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCc2nncn2CC1 ZINC001051030620 761366282 /nfs/dbraw/zinc/36/62/82/761366282.db2.gz BTYWAWHQBFETFI-LSDHHAIUSA-N 1 2 333.436 0.624 20 30 ECEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H](C)CS(C)(=O)=O)CC2)C1 ZINC001105734562 761411695 /nfs/dbraw/zinc/41/16/95/761411695.db2.gz XWHPMSWHUUGEDB-ZDUSSCGKSA-N 1 2 344.477 0.545 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cnc2c(cnn2C)c1 ZINC001051181328 761631663 /nfs/dbraw/zinc/63/16/63/761631663.db2.gz SHMZMCMAJGGENJ-OAHLLOKOSA-N 1 2 329.404 0.975 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnc2c(cnn2C)c1 ZINC001051181328 761631668 /nfs/dbraw/zinc/63/16/68/761631668.db2.gz SHMZMCMAJGGENJ-OAHLLOKOSA-N 1 2 329.404 0.975 20 30 ECEDLO CN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2c[nH]c(C#N)c2)C1=O ZINC001017490594 768054281 /nfs/dbraw/zinc/05/42/81/768054281.db2.gz HTIMSSNZNRCWBZ-ZNMIVQPWSA-N 1 2 327.388 0.406 20 30 ECEDLO CN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2c[nH]c(C#N)c2)C1=O ZINC001017490594 768054287 /nfs/dbraw/zinc/05/42/87/768054287.db2.gz HTIMSSNZNRCWBZ-ZNMIVQPWSA-N 1 2 327.388 0.406 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc(-n2cnnn2)c1 ZINC001051245167 761752681 /nfs/dbraw/zinc/75/26/81/761752681.db2.gz ZZJAKXXGYQTREC-MRXNPFEDSA-N 1 2 342.403 0.669 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cccc(-n2cnnn2)c1 ZINC001051245167 761752685 /nfs/dbraw/zinc/75/26/85/761752685.db2.gz ZZJAKXXGYQTREC-MRXNPFEDSA-N 1 2 342.403 0.669 20 30 ECEDLO C=CCCOCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001051251653 761765813 /nfs/dbraw/zinc/76/58/13/761765813.db2.gz QWMNPDLXYADECE-GJZGRUSLSA-N 1 2 348.447 0.909 20 30 ECEDLO Cc1nsc(N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H](O)C2)c1C#N ZINC001051701483 762732743 /nfs/dbraw/zinc/73/27/43/762732743.db2.gz SQJOPDNGIRRNMY-QWHCGFSZSA-N 1 2 346.416 0.276 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(c2ccc(C#N)nc2)C[C@@H]1O ZINC001051711335 762763154 /nfs/dbraw/zinc/76/31/54/762763154.db2.gz IIIYSZZRWSOFJA-ZBFHGGJFSA-N 1 2 340.387 0.283 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)CNc1cccc(F)c1C#N ZINC001105921032 762774235 /nfs/dbraw/zinc/77/42/35/762774235.db2.gz VYAOPLBPYWLADQ-NSHDSACASA-N 1 2 331.351 0.861 20 30 ECEDLO Cc1cc(N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](O)C2)c(C#N)cn1 ZINC001051717959 762787371 /nfs/dbraw/zinc/78/73/71/762787371.db2.gz LHGYVWMAJSUGOQ-DZGCQCFKSA-N 1 2 340.387 0.283 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 ZINC001105927290 762842316 /nfs/dbraw/zinc/84/23/16/762842316.db2.gz DKKWCBHFMXXIKB-AWEZNQCLSA-N 1 2 328.376 0.209 20 30 ECEDLO N#Cc1c(F)cccc1N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001051790655 762973779 /nfs/dbraw/zinc/97/37/79/762973779.db2.gz XPMFXQLUMQUWQC-GOEBONIOSA-N 1 2 343.362 0.719 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014743003 763071194 /nfs/dbraw/zinc/07/11/94/763071194.db2.gz XQLOVDXHTWCLIP-MRXNPFEDSA-N 1 2 342.399 0.108 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014743003 763071203 /nfs/dbraw/zinc/07/12/03/763071203.db2.gz XQLOVDXHTWCLIP-MRXNPFEDSA-N 1 2 342.399 0.108 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@@H]3CCCOC3)C2)nn1 ZINC001098784345 768113695 /nfs/dbraw/zinc/11/36/95/768113695.db2.gz DEYFZDDOEQGPMF-DOTOQJQBSA-N 1 2 345.447 0.981 20 30 ECEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cn2ncnn2)c1 ZINC001017555181 768113902 /nfs/dbraw/zinc/11/39/02/768113902.db2.gz KFRBIUFZWDSXPN-IYBDPMFKSA-N 1 2 337.387 0.420 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cn2ncnn2)c1 ZINC001017555181 768113906 /nfs/dbraw/zinc/11/39/06/768113906.db2.gz KFRBIUFZWDSXPN-IYBDPMFKSA-N 1 2 337.387 0.420 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2O)C1 ZINC000991758325 763289869 /nfs/dbraw/zinc/28/98/69/763289869.db2.gz CLGWBQWCRJRKRB-ZIAGYGMSSA-N 1 2 332.404 0.387 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]2O)C1 ZINC000991764172 763318202 /nfs/dbraw/zinc/31/82/02/763318202.db2.gz QTLAJXBBGOMEGX-GJZGRUSLSA-N 1 2 346.431 0.708 20 30 ECEDLO C[C@H](C(N)=O)[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046927688 763401056 /nfs/dbraw/zinc/40/10/56/763401056.db2.gz LHYKYJHUTDAPGQ-NXEZZACHSA-N 1 2 339.346 0.447 20 30 ECEDLO C[C@H](C(N)=O)[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046927688 763401063 /nfs/dbraw/zinc/40/10/63/763401063.db2.gz LHYKYJHUTDAPGQ-NXEZZACHSA-N 1 2 339.346 0.447 20 30 ECEDLO C[C@@H](C(N)=O)[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046928361 763402318 /nfs/dbraw/zinc/40/23/18/763402318.db2.gz PZKAPFLVGQWOAX-GXSJLCMTSA-N 1 2 339.346 0.447 20 30 ECEDLO C[C@@H](C(N)=O)[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046928361 763402323 /nfs/dbraw/zinc/40/23/23/763402323.db2.gz PZKAPFLVGQWOAX-GXSJLCMTSA-N 1 2 339.346 0.447 20 30 ECEDLO C[C@@H](C(N)=O)[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001046930335 763407835 /nfs/dbraw/zinc/40/78/35/763407835.db2.gz ZICIEGDJNWBQSO-ONGXEEELSA-N 1 2 339.346 0.447 20 30 ECEDLO C[C@@H](C(N)=O)[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001046930335 763407837 /nfs/dbraw/zinc/40/78/37/763407837.db2.gz ZICIEGDJNWBQSO-ONGXEEELSA-N 1 2 339.346 0.447 20 30 ECEDLO C[C@@H](CCNC(=O)CCn1cc[nH+]c1)NC(=O)c1ccc(C#N)[nH]1 ZINC001077572035 763432471 /nfs/dbraw/zinc/43/24/71/763432471.db2.gz CYQMFBPMFJNZGZ-LBPRGKRZSA-N 1 2 328.376 0.798 20 30 ECEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)C1 ZINC001031899794 763448523 /nfs/dbraw/zinc/44/85/23/763448523.db2.gz VEDSCSJKTACYLI-JKSUJKDBSA-N 1 2 326.400 0.618 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)CCn3cncn3)C2)CC1 ZINC001051982136 763510010 /nfs/dbraw/zinc/51/00/10/763510010.db2.gz YXJQZYKOYULSRN-INIZCTEOSA-N 1 2 332.452 0.463 20 30 ECEDLO CCn1ccnc1CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001051997884 763548892 /nfs/dbraw/zinc/54/88/92/763548892.db2.gz JRLQKUYKTQQSBG-HZPDHXFCSA-N 1 2 344.463 0.781 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@](C)(O)C3CC3)C2)CC1 ZINC001052011586 763582323 /nfs/dbraw/zinc/58/23/23/763582323.db2.gz VZFWPXAFJKJUCO-PKOBYXMFSA-N 1 2 333.476 0.779 20 30 ECEDLO C#CCC1(C(=O)NC[C@H](O)CNc2cc[nH+]c(C)n2)CCOCC1 ZINC001106002983 763588227 /nfs/dbraw/zinc/58/82/27/763588227.db2.gz RJVCCTBIGHHFKY-CQSZACIVSA-N 1 2 332.404 0.494 20 30 ECEDLO C=CCOc1ccccc1C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001014981170 763604813 /nfs/dbraw/zinc/60/48/13/763604813.db2.gz QCOTVDZEJRALGU-DZGCQCFKSA-N 1 2 329.400 0.944 20 30 ECEDLO C=CCOc1ccccc1C(=O)N[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001014981170 763604814 /nfs/dbraw/zinc/60/48/14/763604814.db2.gz QCOTVDZEJRALGU-DZGCQCFKSA-N 1 2 329.400 0.944 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnnn3CC)C2)CC1 ZINC001052024869 763614445 /nfs/dbraw/zinc/61/44/45/763614445.db2.gz PMLWIJRSNMNJDE-HNNXBMFYSA-N 1 2 330.436 0.153 20 30 ECEDLO Cn1ncc(Cl)c1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052027500 763621995 /nfs/dbraw/zinc/62/19/95/763621995.db2.gz GWQJVFHTSHYDTJ-GFCCVEGCSA-N 1 2 336.827 0.429 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)c3ccnn3C)C2)CC1 ZINC001052030235 763628080 /nfs/dbraw/zinc/62/80/80/763628080.db2.gz KCMOFJLCSDNCPV-SJORKVTESA-N 1 2 343.475 0.765 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccnn3CCC)C2)CC1 ZINC001052032758 763635364 /nfs/dbraw/zinc/63/53/64/763635364.db2.gz JQAZAWKWZAOXBI-MRXNPFEDSA-N 1 2 329.448 0.758 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(CC(N)=O)CC2)C1 ZINC001052032957 763636682 /nfs/dbraw/zinc/63/66/82/763636682.db2.gz LBZDENWQQSIIPJ-CYBMUJFWSA-N 1 2 342.871 0.469 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cn3cc(C4CC4)nn3)C2)CC1 ZINC001052036654 763649691 /nfs/dbraw/zinc/64/96/91/763649691.db2.gz RSHMBKUPSRRQLP-MRXNPFEDSA-N 1 2 342.447 0.007 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3ccc(F)cn3)C2)CC1 ZINC001052043204 763673797 /nfs/dbraw/zinc/67/37/97/763673797.db2.gz REPKFVRMQSZRIV-KRWDZBQOSA-N 1 2 330.407 0.615 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)C2)CC1 ZINC001052045649 763683161 /nfs/dbraw/zinc/68/31/61/763683161.db2.gz VRUYWYASSXNGAX-SJORKVTESA-N 1 2 348.491 0.649 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn4c3OCCC4)C2)CC1 ZINC001052047208 763689645 /nfs/dbraw/zinc/68/96/45/763689645.db2.gz IUNGDRYFDOMBDH-HNNXBMFYSA-N 1 2 343.431 0.131 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn4c3OCCC4)C2)CC1 ZINC001052047208 763689653 /nfs/dbraw/zinc/68/96/53/763689653.db2.gz IUNGDRYFDOMBDH-HNNXBMFYSA-N 1 2 343.431 0.131 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccnc(OC)n3)C2)CC1 ZINC001052048955 763699978 /nfs/dbraw/zinc/69/99/78/763699978.db2.gz HMMLVAAWNJBCIW-AWEZNQCLSA-N 1 2 331.420 0.503 20 30 ECEDLO N#Cc1cccnc1NC[C@H](O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001106014886 763713841 /nfs/dbraw/zinc/71/38/41/763713841.db2.gz DVUZMLODMOPQKH-KGLIPLIRSA-N 1 2 340.387 0.301 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3coc(C(N)=O)c3)C2)CC1 ZINC001052056601 763728776 /nfs/dbraw/zinc/72/87/76/763728776.db2.gz FXABCVCKQVPHHM-OAHLLOKOSA-N 1 2 344.415 0.234 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCNC(=O)CC3)C2)CC1 ZINC001052057912 763733759 /nfs/dbraw/zinc/73/37/59/763733759.db2.gz VATTYWVGRIKCNP-IAGOWNOFSA-N 1 2 346.475 0.145 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN([C@@H](C)C(N)=O)CC2)C1 ZINC001052059552 763737442 /nfs/dbraw/zinc/73/74/42/763737442.db2.gz KNGKUFQAQHSYMN-LSDHHAIUSA-N 1 2 336.480 0.681 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3ncccc3OC)C2)CC1 ZINC001052068426 763761939 /nfs/dbraw/zinc/76/19/39/763761939.db2.gz IQIYMVKLDBGPHI-INIZCTEOSA-N 1 2 342.443 0.484 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C2)CC1 ZINC001052071348 763772248 /nfs/dbraw/zinc/77/22/48/763772248.db2.gz SMYRDUZBCVWBHT-AWEZNQCLSA-N 1 2 331.420 0.178 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCCCC(=O)N3)C2)CC1 ZINC001052079247 763791982 /nfs/dbraw/zinc/79/19/82/763791982.db2.gz HBMGVWZCZGWDKU-IAGOWNOFSA-N 1 2 348.491 0.840 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@H](C2CC[NH+](Cc3nnnn3C)CC2)C1 ZINC001047226604 763816929 /nfs/dbraw/zinc/81/69/29/763816929.db2.gz RSCGUOLBARJNHE-ZFWWWQNUSA-N 1 2 345.451 0.820 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn(CC)nc3C)C2)CC1 ZINC001052089148 763823439 /nfs/dbraw/zinc/82/34/39/763823439.db2.gz OHYYEFLAUZGFMA-MRXNPFEDSA-N 1 2 329.448 0.677 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3cscn3)C2)CC1 ZINC001052093143 763837058 /nfs/dbraw/zinc/83/70/58/763837058.db2.gz JVCXQMRRJSDSLB-MRXNPFEDSA-N 1 2 332.473 0.927 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc4cccnn43)C2)CC1 ZINC001052094121 763839892 /nfs/dbraw/zinc/83/98/92/763839892.db2.gz XXNBGTZJSQIWRP-QGZVFWFLSA-N 1 2 337.427 0.800 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(C(N)=O)s3)C2)CC1 ZINC001052096791 763847582 /nfs/dbraw/zinc/84/75/82/763847582.db2.gz PAGJNLXEFAOIFK-CYBMUJFWSA-N 1 2 346.456 0.312 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn(CC4CC4)nn3)C2)CC1 ZINC001052103909 763870593 /nfs/dbraw/zinc/87/05/93/763870593.db2.gz VVRDWVGJVKVPGM-MRXNPFEDSA-N 1 2 342.447 0.153 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn(CC4CC4)nn3)C2)CC1 ZINC001052103909 763870605 /nfs/dbraw/zinc/87/06/05/763870605.db2.gz VVRDWVGJVKVPGM-MRXNPFEDSA-N 1 2 342.447 0.153 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3cnn(CC)c3)C2)CC1 ZINC001052106527 763881956 /nfs/dbraw/zinc/88/19/56/763881956.db2.gz NLWOIXKGHHQGFK-QGZVFWFLSA-N 1 2 329.448 0.297 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3nn(CC)nc3C)C2)CC1 ZINC001052125340 763953281 /nfs/dbraw/zinc/95/32/81/763953281.db2.gz PJCMJALQUTXQRQ-OAHLLOKOSA-N 1 2 330.436 0.072 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3nn(CC)nc3C)C2)CC1 ZINC001052125340 763953290 /nfs/dbraw/zinc/95/32/90/763953290.db2.gz PJCMJALQUTXQRQ-OAHLLOKOSA-N 1 2 330.436 0.072 20 30 ECEDLO CN(C(=O)[C@@H]1CCOC1)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047322301 763991376 /nfs/dbraw/zinc/99/13/76/763991376.db2.gz OESFAPZZHGGPPX-UGFHNGPFSA-N 1 2 335.429 0.660 20 30 ECEDLO CN(C(=O)[C@@H]1CCOC1)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047322301 763991379 /nfs/dbraw/zinc/99/13/79/763991379.db2.gz OESFAPZZHGGPPX-UGFHNGPFSA-N 1 2 335.429 0.660 20 30 ECEDLO CN(C(=O)[C@]12C[C@H]1COC2)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047387980 764184730 /nfs/dbraw/zinc/18/47/30/764184730.db2.gz VYLMWIYLKABMNH-SIUGBPQLSA-N 1 2 347.440 0.660 20 30 ECEDLO CN(C(=O)[C@]12C[C@H]1COC2)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047387980 764184738 /nfs/dbraw/zinc/18/47/38/764184738.db2.gz VYLMWIYLKABMNH-SIUGBPQLSA-N 1 2 347.440 0.660 20 30 ECEDLO C=CCn1cc(C(=O)NCC2C[NH+]([C@H](C)c3cnc(C)cn3)C2)nn1 ZINC001032036277 764230126 /nfs/dbraw/zinc/23/01/26/764230126.db2.gz WUGXOBDTUIDRIF-CYBMUJFWSA-N 1 2 341.419 0.985 20 30 ECEDLO C=C1CC(C)(C(=O)N(C)C[C@H](O)CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001124774967 764235773 /nfs/dbraw/zinc/23/57/73/764235773.db2.gz FXAMZTXUZCEQGT-CYBMUJFWSA-N 1 2 348.451 0.834 20 30 ECEDLO C=CCn1cccc1C(=O)N(C)[C@H]1C[N@H+]([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001047410636 764259896 /nfs/dbraw/zinc/25/98/96/764259896.db2.gz NXKWOWIQVQTVCN-KBMXLJTQSA-N 1 2 348.447 0.268 20 30 ECEDLO C=CCn1cccc1C(=O)N(C)[C@H]1C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001047410636 764259901 /nfs/dbraw/zinc/25/99/01/764259901.db2.gz NXKWOWIQVQTVCN-KBMXLJTQSA-N 1 2 348.447 0.268 20 30 ECEDLO C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001047432748 764329269 /nfs/dbraw/zinc/32/92/69/764329269.db2.gz GAORFMVMHAQALQ-SNPRPXQTSA-N 1 2 338.839 0.702 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(-c3ccccc3)nn2)C1 ZINC001047438640 764345535 /nfs/dbraw/zinc/34/55/35/764345535.db2.gz OELXDLVEWIHYPQ-IRXDYDNUSA-N 1 2 339.399 0.408 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(-c3ccccc3)nn2)C1 ZINC001047438640 764345542 /nfs/dbraw/zinc/34/55/42/764345542.db2.gz OELXDLVEWIHYPQ-IRXDYDNUSA-N 1 2 339.399 0.408 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC001047478271 764460058 /nfs/dbraw/zinc/46/00/58/764460058.db2.gz RBVWZMFDVGTSJW-GJZGRUSLSA-N 1 2 327.388 0.027 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC001047478271 764460063 /nfs/dbraw/zinc/46/00/63/764460063.db2.gz RBVWZMFDVGTSJW-GJZGRUSLSA-N 1 2 327.388 0.027 20 30 ECEDLO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@@H]2O)C1 ZINC001047516976 764567323 /nfs/dbraw/zinc/56/73/23/764567323.db2.gz SRKPBFKSLUSEOQ-GJZGRUSLSA-N 1 2 335.448 0.467 20 30 ECEDLO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@@H]2O)C1 ZINC001047516976 764567329 /nfs/dbraw/zinc/56/73/29/764567329.db2.gz SRKPBFKSLUSEOQ-GJZGRUSLSA-N 1 2 335.448 0.467 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1)C2 ZINC001047531985 764613809 /nfs/dbraw/zinc/61/38/09/764613809.db2.gz VDGZJLABNYOFRF-XHSDSOJGSA-N 1 2 344.415 0.419 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(Cl)nn(C)c2Cl)C1 ZINC001047559140 764693619 /nfs/dbraw/zinc/69/36/19/764693619.db2.gz SIDWSJHRHCOLRH-IUCAKERBSA-N 1 2 331.203 0.477 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(Cl)nn(C)c2Cl)C1 ZINC001047559140 764693628 /nfs/dbraw/zinc/69/36/28/764693628.db2.gz SIDWSJHRHCOLRH-IUCAKERBSA-N 1 2 331.203 0.477 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001015473179 764719842 /nfs/dbraw/zinc/71/98/42/764719842.db2.gz IHLNARRYVYRONI-TZMCWYRMSA-N 1 2 340.387 0.798 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)C2)cc1 ZINC001015482317 764747482 /nfs/dbraw/zinc/74/74/82/764747482.db2.gz LYWAEBHMRQZNPQ-KRWDZBQOSA-N 1 2 341.411 0.331 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCOCC3)C2)cc1 ZINC001015482317 764747487 /nfs/dbraw/zinc/74/74/87/764747487.db2.gz LYWAEBHMRQZNPQ-KRWDZBQOSA-N 1 2 341.411 0.331 20 30 ECEDLO C#CCOCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001052597875 764824147 /nfs/dbraw/zinc/82/41/47/764824147.db2.gz BQUMCROTUVXTFK-CVEARBPZSA-N 1 2 346.431 0.524 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@H+](Cc3cccnc3)C[C@@H]2O)nc1 ZINC001047599572 764837673 /nfs/dbraw/zinc/83/76/73/764837673.db2.gz AFECOZJDVDHQJI-ROUUACIJSA-N 1 2 336.395 0.775 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2O)nc1 ZINC001047599572 764837684 /nfs/dbraw/zinc/83/76/84/764837684.db2.gz AFECOZJDVDHQJI-ROUUACIJSA-N 1 2 336.395 0.775 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@H+](Cc3ocnc3C)C[C@@H]2O)nc1 ZINC001047601831 764845498 /nfs/dbraw/zinc/84/54/98/764845498.db2.gz NBTWFULDIAPVBX-HOTGVXAUSA-N 1 2 340.383 0.677 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](Cc3ocnc3C)C[C@@H]2O)nc1 ZINC001047601831 764845503 /nfs/dbraw/zinc/84/55/03/764845503.db2.gz NBTWFULDIAPVBX-HOTGVXAUSA-N 1 2 340.383 0.677 20 30 ECEDLO CN1C[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)NC1=O ZINC001015514429 764851714 /nfs/dbraw/zinc/85/17/14/764851714.db2.gz QMAPTDHLUSLADV-DZGCQCFKSA-N 1 2 345.378 0.411 20 30 ECEDLO CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)NC1=O ZINC001015514429 764851720 /nfs/dbraw/zinc/85/17/20/764851720.db2.gz QMAPTDHLUSLADV-DZGCQCFKSA-N 1 2 345.378 0.411 20 30 ECEDLO CN1C[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)NC1=O ZINC001015515182 764854416 /nfs/dbraw/zinc/85/44/16/764854416.db2.gz VKKDUZKHRNPNGW-LSDHHAIUSA-N 1 2 327.388 0.272 20 30 ECEDLO CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)NC1=O ZINC001015515182 764854423 /nfs/dbraw/zinc/85/44/23/764854423.db2.gz VKKDUZKHRNPNGW-LSDHHAIUSA-N 1 2 327.388 0.272 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3c[nH]cc3C)C2)C1=O ZINC001047626141 764918132 /nfs/dbraw/zinc/91/81/32/764918132.db2.gz UGJHIELLEDEDQP-PMPSAXMXSA-N 1 2 346.431 0.227 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3c[nH]cc3C)C2)C1=O ZINC001047626141 764918140 /nfs/dbraw/zinc/91/81/40/764918140.db2.gz UGJHIELLEDEDQP-PMPSAXMXSA-N 1 2 346.431 0.227 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+](Cc3nncn3C)CC2)c1 ZINC001052694190 764998201 /nfs/dbraw/zinc/99/82/01/764998201.db2.gz PZNQYUVDSSNVEV-MRXNPFEDSA-N 1 2 338.415 0.976 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+](Cc3nncn3C)CC2)c1 ZINC001052694190 764998208 /nfs/dbraw/zinc/99/82/08/764998208.db2.gz PZNQYUVDSSNVEV-MRXNPFEDSA-N 1 2 338.415 0.976 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c[nH]1 ZINC001015591429 765017644 /nfs/dbraw/zinc/01/76/44/765017644.db2.gz NYUSGEKRJWPCRO-YPMHNXCESA-N 1 2 340.387 0.867 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ncccn2)C1 ZINC001052727205 765047595 /nfs/dbraw/zinc/04/75/95/765047595.db2.gz IKEUNKLLHXUBIO-JHJVBQTASA-N 1 2 325.376 0.776 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cc(F)ncn2)C1 ZINC001052727913 765048427 /nfs/dbraw/zinc/04/84/27/765048427.db2.gz QDXCCGMLWKDXDM-QJPTWQEYSA-N 1 2 343.366 0.915 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3c(C)nnn3CC)C2)c1 ZINC001015678427 765149842 /nfs/dbraw/zinc/14/98/42/765149842.db2.gz HSGOAXDGMMSOKS-INIZCTEOSA-N 1 2 338.415 0.987 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3c(C)nnn3CC)C2)c1 ZINC001015678427 765149846 /nfs/dbraw/zinc/14/98/46/765149846.db2.gz HSGOAXDGMMSOKS-INIZCTEOSA-N 1 2 338.415 0.987 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccnc(OC)n3)C2)c1 ZINC001015678442 765149971 /nfs/dbraw/zinc/14/99/71/765149971.db2.gz IDGYEMPTGKCZLB-MRXNPFEDSA-N 1 2 337.383 0.866 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3ccnc(OC)n3)C2)c1 ZINC001015678442 765149975 /nfs/dbraw/zinc/14/99/75/765149975.db2.gz IDGYEMPTGKCZLB-MRXNPFEDSA-N 1 2 337.383 0.866 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000992027028 765200825 /nfs/dbraw/zinc/20/08/25/765200825.db2.gz LANRDQQEPLJJRM-HOCLYGCPSA-N 1 2 332.404 0.271 20 30 ECEDLO C=CCCOCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001052841011 765211978 /nfs/dbraw/zinc/21/19/78/765211978.db2.gz JXDPDMMSSFSRQF-CABCVRRESA-N 1 2 334.420 0.687 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cnnn2CC)C1 ZINC001015829700 765392193 /nfs/dbraw/zinc/39/21/93/765392193.db2.gz ZLVWHIACIPLVMR-KBMXLJTQSA-N 1 2 333.436 0.970 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cnnn2CC)C1 ZINC001015829700 765392198 /nfs/dbraw/zinc/39/21/98/765392198.db2.gz ZLVWHIACIPLVMR-KBMXLJTQSA-N 1 2 333.436 0.970 20 30 ECEDLO CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001053035536 765509420 /nfs/dbraw/zinc/50/94/20/765509420.db2.gz VMMXNCKFYZOXQH-HUUCEWRRSA-N 1 2 330.432 0.833 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@H](C)CCNc1[nH+]cnc2c1cnn2C ZINC001106442795 768308985 /nfs/dbraw/zinc/30/89/85/768308985.db2.gz LNCIVTPHYYCMLS-NEPJUHHUSA-N 1 2 330.392 0.708 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)C2)nc1 ZINC001016026293 765730152 /nfs/dbraw/zinc/73/01/52/765730152.db2.gz FBCLHMGBLFZOQN-LSDHHAIUSA-N 1 2 347.440 0.302 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C2)nc1 ZINC001016026293 765730155 /nfs/dbraw/zinc/73/01/55/765730155.db2.gz FBCLHMGBLFZOQN-LSDHHAIUSA-N 1 2 347.440 0.302 20 30 ECEDLO N#Cc1cccnc1NC[C@H](O)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001106105452 765762871 /nfs/dbraw/zinc/76/28/71/765762871.db2.gz UMSSYOYWYYHFNA-QWHCGFSZSA-N 1 2 340.387 0.685 20 30 ECEDLO C=CCN1CC2(C1)CN(C(=O)Cc1cn3c([nH+]1)CCCC3)CCO2 ZINC001053263242 765863446 /nfs/dbraw/zinc/86/34/46/765863446.db2.gz JNCBBGDYINPHGN-UHFFFAOYSA-N 1 2 330.432 0.861 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc3nnnn3c1)CCO2 ZINC001053341115 766002868 /nfs/dbraw/zinc/00/28/68/766002868.db2.gz XBUMLOQQMLGWAT-UHFFFAOYSA-N 1 2 328.376 0.227 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnc3cc(C)nn3c2C)[C@@H](O)C1 ZINC001083683729 766052969 /nfs/dbraw/zinc/05/29/69/766052969.db2.gz LHSIDFLALIDUBX-CABCVRRESA-N 1 2 327.388 0.144 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3cc(C)nn3c2C)[C@@H](O)C1 ZINC001083683729 766052974 /nfs/dbraw/zinc/05/29/74/766052974.db2.gz LHSIDFLALIDUBX-CABCVRRESA-N 1 2 327.388 0.144 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cncc(C(N)=O)c1)CCO2 ZINC001053535689 766297443 /nfs/dbraw/zinc/29/74/43/766297443.db2.gz XXAGOTPRTGWXHS-UHFFFAOYSA-N 1 2 330.388 0.283 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@@H]2O)cc1 ZINC001083690896 766348819 /nfs/dbraw/zinc/34/88/19/766348819.db2.gz PDCWCRMZNAHBIK-SJORKVTESA-N 1 2 341.411 0.065 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@@H]2O)cc1 ZINC001083690896 766348827 /nfs/dbraw/zinc/34/88/27/766348827.db2.gz PDCWCRMZNAHBIK-SJORKVTESA-N 1 2 341.411 0.065 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1F ZINC001031662151 766380347 /nfs/dbraw/zinc/38/03/47/766380347.db2.gz VFSYTXCEASHSSC-UKRRQHHQSA-N 1 2 332.335 0.911 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCn3ccnc3C1)O2 ZINC001053619166 766448153 /nfs/dbraw/zinc/44/81/53/766448153.db2.gz MOQZAXUKLLBDJK-HUUCEWRRSA-N 1 2 330.432 0.981 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1COCCN1CC)O2 ZINC001053620574 766454671 /nfs/dbraw/zinc/45/46/71/766454671.db2.gz PIWKODLEBXQBKM-CVEARBPZSA-N 1 2 337.464 0.633 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCc3nc(C)nn3C1)O2 ZINC001053638958 766494981 /nfs/dbraw/zinc/49/49/81/766494981.db2.gz DWIRCMXOSSVXES-HUUCEWRRSA-N 1 2 345.447 0.685 20 30 ECEDLO CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 ZINC001212253494 766501534 /nfs/dbraw/zinc/50/15/34/766501534.db2.gz FUKWTURVTGOVKN-NUEKZKHPSA-N 1 2 335.448 0.520 20 30 ECEDLO CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 ZINC001212253494 766501539 /nfs/dbraw/zinc/50/15/39/766501539.db2.gz FUKWTURVTGOVKN-NUEKZKHPSA-N 1 2 335.448 0.520 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000992418801 766529392 /nfs/dbraw/zinc/52/93/92/766529392.db2.gz XWMXIZDSFNUPLW-VHMBPLKRSA-N 1 2 332.404 0.554 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC000992421979 766536245 /nfs/dbraw/zinc/53/62/45/766536245.db2.gz YRTIXBUFXUVLNY-GMEATFMZSA-N 1 2 346.431 0.565 20 30 ECEDLO C[C@@H](CC(=O)NC[C@H](O)CNc1ncc(C#N)cc1F)n1cc[nH+]c1 ZINC001106132065 766603569 /nfs/dbraw/zinc/60/35/69/766603569.db2.gz RGMGVCSBJMZERC-AAEUAGOBSA-N 1 2 346.366 0.829 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(=O)n(CCC)n1)O2 ZINC001053695347 766605634 /nfs/dbraw/zinc/60/56/34/766605634.db2.gz FOOOFDSACAKWGF-CQSZACIVSA-N 1 2 346.431 0.803 20 30 ECEDLO CCn1ccnc1C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001046011752 766636642 /nfs/dbraw/zinc/63/66/42/766636642.db2.gz HBJUDFZIAKZZEP-JKSUJKDBSA-N 1 2 344.463 0.781 20 30 ECEDLO CCn1ccnc1C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001046011752 766636644 /nfs/dbraw/zinc/63/66/44/766636644.db2.gz HBJUDFZIAKZZEP-JKSUJKDBSA-N 1 2 344.463 0.781 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3CCCc4n[nH]cc43)CC2)C1 ZINC001046029746 766695100 /nfs/dbraw/zinc/69/51/00/766695100.db2.gz AJRQEJUYIYNGDX-LSDHHAIUSA-N 1 2 342.447 0.572 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CC(N(C)C(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001016685563 766727163 /nfs/dbraw/zinc/72/71/63/766727163.db2.gz FUGKHXYBZNUGIM-UHFFFAOYSA-N 1 2 337.383 0.679 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3CCc4cncn4C3)CC2)C1 ZINC001046040186 766745721 /nfs/dbraw/zinc/74/57/21/766745721.db2.gz GGTSRQQYAZTMTL-NVXWUHKLSA-N 1 2 342.447 0.188 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 ZINC001106132836 766776127 /nfs/dbraw/zinc/77/61/27/766776127.db2.gz ASTSJISMJWAZSN-IAQYHMDHSA-N 1 2 328.376 0.444 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 ZINC001106132836 766776133 /nfs/dbraw/zinc/77/61/33/766776133.db2.gz ASTSJISMJWAZSN-IAQYHMDHSA-N 1 2 328.376 0.444 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001046047429 766777667 /nfs/dbraw/zinc/77/76/67/766777667.db2.gz PDNJOBNASMVGEV-NEXGVSGLSA-N 1 2 330.432 0.152 20 30 ECEDLO Cc1ccn([C@H](C)CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)n1 ZINC001046050653 766787727 /nfs/dbraw/zinc/78/77/27/766787727.db2.gz MZZSPOWVKYXMGC-IAGOWNOFSA-N 1 2 344.463 0.885 20 30 ECEDLO Cc1ncccc1CC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046064293 766841833 /nfs/dbraw/zinc/84/18/33/766841833.db2.gz KFAWRWDXTPEJBS-QGZVFWFLSA-N 1 2 327.432 0.675 20 30 ECEDLO CCn1nc(C)c(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)c1C ZINC001046069104 766866020 /nfs/dbraw/zinc/86/60/20/766866020.db2.gz BBNAYUCWZBSIKM-INIZCTEOSA-N 1 2 344.463 0.876 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(OC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC000994810650 766873762 /nfs/dbraw/zinc/87/37/62/766873762.db2.gz AOWPZDNCLCEFHR-GFCCVEGCSA-N 1 2 345.403 0.330 20 30 ECEDLO C=CCN1CC2(C1)C[C@@H](NC(=O)c1cc([C@H]3CCC[N@H+]3C)n[nH]1)CO2 ZINC001053805517 766894010 /nfs/dbraw/zinc/89/40/10/766894010.db2.gz SSXWIJISOPIXKP-CZUORRHYSA-N 1 2 345.447 0.936 20 30 ECEDLO C=CCN1CC2(C1)C[C@@H](NC(=O)c1cc([C@H]3CCC[N@@H+]3C)n[nH]1)CO2 ZINC001053805517 766894019 /nfs/dbraw/zinc/89/40/19/766894019.db2.gz SSXWIJISOPIXKP-CZUORRHYSA-N 1 2 345.447 0.936 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC001046085065 766925890 /nfs/dbraw/zinc/92/58/90/766925890.db2.gz DNZMMAPQDNZBJS-GDBMZVCRSA-N 1 2 342.447 0.257 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@H]3COc4ccccc43)CC2)C1 ZINC001046089534 766931451 /nfs/dbraw/zinc/93/14/51/766931451.db2.gz GLSFEZAFWBYTFX-WBVHZDCISA-N 1 2 340.427 0.905 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nn3c(c1C)OCCC3)CO2 ZINC001053825600 766950316 /nfs/dbraw/zinc/95/03/16/766950316.db2.gz VGSDJVPFKNGTDV-CQSZACIVSA-N 1 2 344.415 0.570 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc3c([nH]1)CCOC3)CO2 ZINC001053827074 766953560 /nfs/dbraw/zinc/95/35/60/766953560.db2.gz QXOHCQSFMVEGRK-AWEZNQCLSA-N 1 2 329.400 0.684 20 30 ECEDLO CCN(c1nccnc1C#N)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001089667784 766965270 /nfs/dbraw/zinc/96/52/70/766965270.db2.gz NXFFYSTWANYNEW-GFCCVEGCSA-N 1 2 327.392 0.655 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)c3cnns3)C2)C1=O ZINC001046164845 767001160 /nfs/dbraw/zinc/00/11/60/767001160.db2.gz JPXXOJYIHXJWPW-NHYWBVRUSA-N 1 2 335.433 0.519 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(NC(=O)c3cnns3)C2)C1=O ZINC001046164845 767001172 /nfs/dbraw/zinc/00/11/72/767001172.db2.gz JPXXOJYIHXJWPW-NHYWBVRUSA-N 1 2 335.433 0.519 20 30 ECEDLO CC#CCN1CC2(C1)C[C@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)CO2 ZINC001053850622 767016537 /nfs/dbraw/zinc/01/65/37/767016537.db2.gz BBYWKFSLNGDOPW-CABCVRRESA-N 1 2 328.416 0.428 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)CO2 ZINC001053865408 767071015 /nfs/dbraw/zinc/07/10/15/767071015.db2.gz YGDXOEZNMPUJEU-KBPBESRZSA-N 1 2 336.436 0.313 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1ncc3cccnc31)CO2 ZINC001053873877 767100414 /nfs/dbraw/zinc/10/04/14/767100414.db2.gz LTJOMVZVPSQGAC-OAHLLOKOSA-N 1 2 341.415 0.967 20 30 ECEDLO CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001089713403 767110745 /nfs/dbraw/zinc/11/07/45/767110745.db2.gz JFMYEZAKMULTMQ-CYBMUJFWSA-N 1 2 327.392 0.966 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(CC)nnc1C)CO2 ZINC001053881518 767150479 /nfs/dbraw/zinc/15/04/79/767150479.db2.gz LACSQKTVBCVOAE-OAHLLOKOSA-N 1 2 328.416 0.944 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2cnnn2C)C1 ZINC001046328085 767151477 /nfs/dbraw/zinc/15/14/77/767151477.db2.gz VEMWFJGXHUFOMZ-HLLBOEOZSA-N 1 2 333.436 0.877 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2cnnn2C)C1 ZINC001046328085 767151478 /nfs/dbraw/zinc/15/14/78/767151478.db2.gz VEMWFJGXHUFOMZ-HLLBOEOZSA-N 1 2 333.436 0.877 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2ccnn2C(F)F)[C@H](OC)C1 ZINC001212322908 767214851 /nfs/dbraw/zinc/21/48/51/767214851.db2.gz LXPKOHCZLCMIBD-DGCLKSJQSA-N 1 2 342.346 0.357 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2ccnn2C(F)F)[C@H](OC)C1 ZINC001212322908 767214853 /nfs/dbraw/zinc/21/48/53/767214853.db2.gz LXPKOHCZLCMIBD-DGCLKSJQSA-N 1 2 342.346 0.357 20 30 ECEDLO Cn1nnc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C#CC2CC2)n1 ZINC001089807077 767234483 /nfs/dbraw/zinc/23/44/83/767234483.db2.gz WTYNFBBRHTVCCA-JJXSEGSLSA-N 1 2 340.431 0.292 20 30 ECEDLO Cn1nnc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C#CC2CC2)n1 ZINC001089807077 767234485 /nfs/dbraw/zinc/23/44/85/767234485.db2.gz WTYNFBBRHTVCCA-JJXSEGSLSA-N 1 2 340.431 0.292 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2ccnc3[nH]cnc32)[C@H](OC)C1 ZINC001212340099 767262311 /nfs/dbraw/zinc/26/23/11/767262311.db2.gz AQKPYNQRHREALJ-ZIAGYGMSSA-N 1 2 343.387 0.037 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2ccnc3[nH]cnc32)[C@H](OC)C1 ZINC001212340099 767262313 /nfs/dbraw/zinc/26/23/13/767262313.db2.gz AQKPYNQRHREALJ-ZIAGYGMSSA-N 1 2 343.387 0.037 20 30 ECEDLO N#Cc1cnc(N2CC=C(CNC(=O)CCc3[nH]cc[nH+]3)CC2)cn1 ZINC001127628987 767290473 /nfs/dbraw/zinc/29/04/73/767290473.db2.gz XMMDSSXNXDLINE-UHFFFAOYSA-N 1 2 337.387 0.957 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000939499038 767295997 /nfs/dbraw/zinc/29/59/97/767295997.db2.gz MHZPTRPZPDRAEC-IAQYHMDHSA-N 1 2 342.378 0.995 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCc3nn[nH]c31)CO2 ZINC001053907800 767325742 /nfs/dbraw/zinc/32/57/42/767325742.db2.gz DNGIFICLCHIBKQ-QWHCGFSZSA-N 1 2 331.420 0.760 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001046585667 767335752 /nfs/dbraw/zinc/33/57/52/767335752.db2.gz IAXKWZJDFMZTEO-BXKDBHETSA-N 1 2 331.214 0.157 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001046585667 767335759 /nfs/dbraw/zinc/33/57/59/767335759.db2.gz IAXKWZJDFMZTEO-BXKDBHETSA-N 1 2 331.214 0.157 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1COC2(CN(Cc3c[nH+]cn3C)C2)C1 ZINC001053928401 767387636 /nfs/dbraw/zinc/38/76/36/767387636.db2.gz ZARUMCVUKNXCIO-IMJJTQAJSA-N 1 2 346.431 0.471 20 30 ECEDLO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C ZINC001106155375 767393729 /nfs/dbraw/zinc/39/37/29/767393729.db2.gz VBNNMAUJPLYSOH-FOGDFJRCSA-N 1 2 339.333 0.873 20 30 ECEDLO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1C ZINC001106155375 767393740 /nfs/dbraw/zinc/39/37/40/767393740.db2.gz VBNNMAUJPLYSOH-FOGDFJRCSA-N 1 2 339.333 0.873 20 30 ECEDLO N#CCN1CC2(C1)C[C@H](NC(=O)C1([NH+]3CCOCC3)CCCC1)CO2 ZINC001053944671 767418331 /nfs/dbraw/zinc/41/83/31/767418331.db2.gz FPMSZMPIBOIOTO-HNNXBMFYSA-N 1 2 348.447 0.114 20 30 ECEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)nc1 ZINC001106158701 767425684 /nfs/dbraw/zinc/42/56/84/767425684.db2.gz ZRWVMJYWKLAUBJ-JHJVBQTASA-N 1 2 326.360 0.369 20 30 ECEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)nc1 ZINC001106158701 767425692 /nfs/dbraw/zinc/42/56/92/767425692.db2.gz ZRWVMJYWKLAUBJ-JHJVBQTASA-N 1 2 326.360 0.369 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccnc3nc(C)nn31)CO2 ZINC001053981458 767523167 /nfs/dbraw/zinc/52/31/67/767523167.db2.gz KWKZKVHFSYIPGG-ZDUSSCGKSA-N 1 2 340.387 0.029 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccnc1N(C)C)CO2 ZINC001054005516 767574342 /nfs/dbraw/zinc/57/43/42/767574342.db2.gz FAENEYMABVUUTR-AWEZNQCLSA-N 1 2 328.416 0.744 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3nncn3C1)CO2 ZINC001054016686 767607633 /nfs/dbraw/zinc/60/76/33/767607633.db2.gz HXCWXVSCESJYIF-KGLIPLIRSA-N 1 2 331.420 0.376 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001046769312 767618434 /nfs/dbraw/zinc/61/84/34/767618434.db2.gz RQWDDVLNICDSDO-AWEZNQCLSA-N 1 2 336.783 0.364 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001046769312 767618439 /nfs/dbraw/zinc/61/84/39/767618439.db2.gz RQWDDVLNICDSDO-AWEZNQCLSA-N 1 2 336.783 0.364 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1CN(C(C)=O)C1 ZINC001054038891 767638305 /nfs/dbraw/zinc/63/83/05/767638305.db2.gz NQWOMFDHFLJIMQ-SFHVURJKSA-N 1 2 325.412 0.641 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1CN(C(C)=O)C1 ZINC001054038891 767638312 /nfs/dbraw/zinc/63/83/12/767638312.db2.gz NQWOMFDHFLJIMQ-SFHVURJKSA-N 1 2 325.412 0.641 20 30 ECEDLO Cc1cc(C)c(C(=O)NC[C@H](O)CNc2cncc(C#N)n2)c(C)[nH+]1 ZINC001106182682 767739121 /nfs/dbraw/zinc/73/91/21/767739121.db2.gz CJXODCWROVFSMC-CQSZACIVSA-N 1 2 340.387 0.871 20 30 ECEDLO CCN(CCNc1[nH+]cnc2c1cnn2C)C(=O)CSCC#N ZINC001106693949 768601639 /nfs/dbraw/zinc/60/16/39/768601639.db2.gz LBDNTMMDPDBTMC-UHFFFAOYSA-N 1 2 333.421 0.880 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001055313732 768770242 /nfs/dbraw/zinc/77/02/42/768770242.db2.gz CQGPXSYHBGDPRI-IYOUNJFTSA-N 1 2 346.431 0.586 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001055313732 768770245 /nfs/dbraw/zinc/77/02/45/768770245.db2.gz CQGPXSYHBGDPRI-IYOUNJFTSA-N 1 2 346.431 0.586 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@@H]2C1 ZINC001055332645 768789220 /nfs/dbraw/zinc/78/92/20/768789220.db2.gz HEQMXBNWXHZYOJ-GASCZTMLSA-N 1 2 342.443 0.929 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NC1CN(Cc2ccc(F)c(C#N)c2)C1 ZINC001031260135 768980845 /nfs/dbraw/zinc/98/08/45/768980845.db2.gz LZMGRROGWHDUBI-UHFFFAOYSA-N 1 2 327.363 0.974 20 30 ECEDLO C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)c2cnns2)CC1 ZINC001055531563 769026929 /nfs/dbraw/zinc/02/69/29/769026929.db2.gz JVRYBIROKDUYTG-SNVBAGLBSA-N 1 2 336.421 0.008 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cocn3)C2)CC1 ZINC001018364507 769207202 /nfs/dbraw/zinc/20/72/02/769207202.db2.gz UVTZGBGTMYHMHU-CQSZACIVSA-N 1 2 332.404 0.857 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)Cc3cnoc3)C2)CC1 ZINC001018366232 769213341 /nfs/dbraw/zinc/21/33/41/769213341.db2.gz BTZCXBUWOGHDCU-MRXNPFEDSA-N 1 2 346.431 0.786 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccnnc3)C2)CC1 ZINC001018371763 769230047 /nfs/dbraw/zinc/23/00/47/769230047.db2.gz IREHBLXGTXKZLW-INIZCTEOSA-N 1 2 343.431 0.659 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccn(C)n3)C2)CC1 ZINC001018391102 769275449 /nfs/dbraw/zinc/27/54/49/769275449.db2.gz CNFQYAVLJWPVFF-OAHLLOKOSA-N 1 2 345.447 0.603 20 30 ECEDLO C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001018439612 769348597 /nfs/dbraw/zinc/34/85/97/769348597.db2.gz JOBAWYZIZZZSNE-DGCLKSJQSA-N 1 2 340.387 0.961 20 30 ECEDLO O=C(CCc1[nH]cc[nH+]1)N[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1 ZINC001055915239 770204180 /nfs/dbraw/zinc/20/41/80/770204180.db2.gz VKCKLFIQBTUAAY-GOSISDBHSA-N 1 2 344.415 0.225 20 30 ECEDLO N#Cc1ccc(N2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)CC2)nn1 ZINC001055940448 770299829 /nfs/dbraw/zinc/29/98/29/770299829.db2.gz KIXBACHTBUJHHS-ZDUSSCGKSA-N 1 2 337.387 0.456 20 30 ECEDLO N#Cc1ccc(N2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)nn1 ZINC001055940468 770300254 /nfs/dbraw/zinc/30/02/54/770300254.db2.gz LWWIPDNHFNQBKA-ZDUSSCGKSA-N 1 2 337.387 0.456 20 30 ECEDLO O=C(C#CC1CC1)N[C@@]1(CO)CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001055940907 770301178 /nfs/dbraw/zinc/30/11/78/770301178.db2.gz RFVAQAKLQKIWMH-SFHVURJKSA-N 1 2 344.415 0.156 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CCC[N@@H+](CC(=O)NC)[C@@H]1C ZINC000994207743 770304703 /nfs/dbraw/zinc/30/47/03/770304703.db2.gz SQUVMPSGHBPPOJ-KGLIPLIRSA-N 1 2 346.431 0.975 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CCC[N@H+](CC(=O)NC)[C@@H]1C ZINC000994207743 770304715 /nfs/dbraw/zinc/30/47/15/770304715.db2.gz SQUVMPSGHBPPOJ-KGLIPLIRSA-N 1 2 346.431 0.975 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001018985960 770484229 /nfs/dbraw/zinc/48/42/29/770484229.db2.gz NWBGYUQCMYBGIS-YJBOKZPZSA-N 1 2 341.459 0.617 20 30 ECEDLO C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001056043625 770654085 /nfs/dbraw/zinc/65/40/85/770654085.db2.gz JHBAHGBMDVFFHA-GOSISDBHSA-N 1 2 348.447 0.789 20 30 ECEDLO CC#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001056061121 770711960 /nfs/dbraw/zinc/71/19/60/770711960.db2.gz BYDBZAVKSBCCCN-GOSISDBHSA-N 1 2 346.431 0.616 20 30 ECEDLO CC(C)C#CC(=O)N1CCC[C@](CO)(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001056079689 770776463 /nfs/dbraw/zinc/77/64/63/770776463.db2.gz GJJPVIZWWLXYMI-KRWDZBQOSA-N 1 2 332.404 0.081 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C3CCC(=C)CC3)[C@@H](O)C2)C1=O ZINC001083754311 770905979 /nfs/dbraw/zinc/90/59/79/770905979.db2.gz KYCXVQUNSXZNGM-IKGGRYGDSA-N 1 2 347.459 0.681 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C3CCC(=C)CC3)[C@@H](O)C2)C1=O ZINC001083754311 770905982 /nfs/dbraw/zinc/90/59/82/770905982.db2.gz KYCXVQUNSXZNGM-IKGGRYGDSA-N 1 2 347.459 0.681 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)nc1 ZINC000994559878 771110298 /nfs/dbraw/zinc/11/02/98/771110298.db2.gz CNJRDJQUGLUEGS-CQSZACIVSA-N 1 2 349.394 0.463 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000994572162 771149665 /nfs/dbraw/zinc/14/96/65/771149665.db2.gz SISYEFAXMXIWRZ-MAZHCROVSA-N 1 2 344.415 0.364 20 30 ECEDLO N#Cc1cc(C(=O)N2CCC3(CN(C(=O)Cc4[nH]cc[nH+]4)C3)C2)c[nH]1 ZINC001019333201 771169674 /nfs/dbraw/zinc/16/96/74/771169674.db2.gz QTCCEOSYYFTVDJ-UHFFFAOYSA-N 1 2 338.371 0.527 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2[C@H]3CN(c4cc[nH+]c(C)n4)C[C@H]32)nn1 ZINC001056435364 771262406 /nfs/dbraw/zinc/26/24/06/771262406.db2.gz WEFKLEVTAXGQHC-VIKVFOODSA-N 1 2 339.403 0.817 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nn(C)cc3Cl)C2)nn1 ZINC001019482224 771345930 /nfs/dbraw/zinc/34/59/30/771345930.db2.gz LQONTXQGBASYCK-NSHDSACASA-N 1 2 349.826 0.855 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3nccnc3N)C2)c(F)c1 ZINC001031588379 771351314 /nfs/dbraw/zinc/35/13/14/771351314.db2.gz CBZLWPGAVVIDIK-UHFFFAOYSA-N 1 2 340.362 0.931 20 30 ECEDLO N#Cc1cnccc1N1CCCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001089549029 771455842 /nfs/dbraw/zinc/45/58/42/771455842.db2.gz QDHSKLSKBITVRX-CQSZACIVSA-N 1 2 340.387 0.631 20 30 ECEDLO COc1nccc(C[NH+]2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001031622419 771478426 /nfs/dbraw/zinc/47/84/26/771478426.db2.gz FNMPWTFVINKZMA-UHFFFAOYSA-N 1 2 326.360 0.547 20 30 ECEDLO N#Cc1ccc(N2CCCO[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)nc1 ZINC001089558184 771481361 /nfs/dbraw/zinc/48/13/61/771481361.db2.gz KOSRWJFSMSAWLW-OAHLLOKOSA-N 1 2 340.387 0.631 20 30 ECEDLO CC(C)(C(=O)N1CC[C@@H](Nc2ccnc(C#N)n2)C1)c1c[nH+]c[nH]1 ZINC001056670604 771496646 /nfs/dbraw/zinc/49/66/46/771496646.db2.gz JHYOQMGHTORVNT-LLVKDONJSA-N 1 2 325.376 0.484 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(C)C)n(C)n2)[C@H](OC)C1 ZINC001212244503 771504557 /nfs/dbraw/zinc/50/45/57/771504557.db2.gz XMMADKZXAVQQOD-NVXWUHKLSA-N 1 2 348.447 0.622 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C(C)C)n(C)n2)[C@H](OC)C1 ZINC001212244503 771504562 /nfs/dbraw/zinc/50/45/62/771504562.db2.gz XMMADKZXAVQQOD-NVXWUHKLSA-N 1 2 348.447 0.622 20 30 ECEDLO C=CCCOCC(=O)N1CCC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001056681718 771509096 /nfs/dbraw/zinc/50/90/96/771509096.db2.gz RKTCVUJNVJXNHQ-GOEBONIOSA-N 1 2 346.431 0.994 20 30 ECEDLO N#CCSCC(=O)N1C[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001056707482 771538347 /nfs/dbraw/zinc/53/83/47/771538347.db2.gz MUPZFSZWQZKJJO-QWHCGFSZSA-N 1 2 347.444 0.658 20 30 ECEDLO CC(=O)N1CC(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)C1 ZINC001031636639 771556637 /nfs/dbraw/zinc/55/66/37/771556637.db2.gz JVYRIUCLVAXALU-UHFFFAOYSA-N 1 2 326.400 0.585 20 30 ECEDLO N#Cc1ccc(N[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)nn1 ZINC001056726232 771560513 /nfs/dbraw/zinc/56/05/13/771560513.db2.gz WNXUDJOCTPTGLY-GXTWGEPZSA-N 1 2 337.387 0.820 20 30 ECEDLO N#Cc1nccc(N[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)n1 ZINC001056726157 771560732 /nfs/dbraw/zinc/56/07/32/771560732.db2.gz UBYKRDICXNMYPJ-CHWSQXEVSA-N 1 2 337.387 0.242 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)C1 ZINC001056796390 771654400 /nfs/dbraw/zinc/65/44/00/771654400.db2.gz OAQLVTFNAFUIEY-NWDGAFQWSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](Nc2cnc(C#N)cn2)C1 ZINC001056796390 771654404 /nfs/dbraw/zinc/65/44/04/771654404.db2.gz OAQLVTFNAFUIEY-NWDGAFQWSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)C1 ZINC001056796426 771654716 /nfs/dbraw/zinc/65/47/16/771654716.db2.gz PXDZRMVAHZFLEI-WCQYABFASA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)C1 ZINC001056796426 771654718 /nfs/dbraw/zinc/65/47/18/771654718.db2.gz PXDZRMVAHZFLEI-WCQYABFASA-N 1 2 325.376 0.963 20 30 ECEDLO CN(c1ncnc2c1C[N@H+](C)CC2)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001056911553 771799331 /nfs/dbraw/zinc/79/93/31/771799331.db2.gz ILTFEFSHCDGPGF-OAHLLOKOSA-N 1 2 339.443 0.915 20 30 ECEDLO CN(c1ncnc2c1C[N@@H+](C)CC2)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001056911553 771799333 /nfs/dbraw/zinc/79/93/33/771799333.db2.gz ILTFEFSHCDGPGF-OAHLLOKOSA-N 1 2 339.443 0.915 20 30 ECEDLO CCc1nc(C#N)cc(N(C)[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001056956708 771864372 /nfs/dbraw/zinc/86/43/72/771864372.db2.gz YPWGHCFJHFSWLE-ZDUSSCGKSA-N 1 2 339.403 0.914 20 30 ECEDLO O=C(C#CC1CC1)N1CCO[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001019930743 772037421 /nfs/dbraw/zinc/03/74/21/772037421.db2.gz UOIXFACIMXMTON-CVEARBPZSA-N 1 2 342.399 0.194 20 30 ECEDLO CCc1nc(C#N)cc(N2CCCN(C(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001057152221 772175867 /nfs/dbraw/zinc/17/58/67/772175867.db2.gz SETXWNIZZLYPDT-UHFFFAOYSA-N 1 2 339.403 0.846 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CCS(=O)(=O)CC3)C[C@@H]21 ZINC001042254997 782989836 /nfs/dbraw/zinc/98/98/36/782989836.db2.gz PQTLBKRHKFNWIP-ZBFHGGJFSA-N 1 2 338.473 0.757 20 30 ECEDLO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CCS(=O)(=O)CC3)C[C@@H]21 ZINC001042254997 782989843 /nfs/dbraw/zinc/98/98/43/782989843.db2.gz PQTLBKRHKFNWIP-ZBFHGGJFSA-N 1 2 338.473 0.757 20 30 ECEDLO C#CCCCCC(=O)N(CCO)CCNC(=O)Cc1c[nH+]cn1C ZINC001057388636 772555787 /nfs/dbraw/zinc/55/57/87/772555787.db2.gz VGVAYJIYJSGWQM-UHFFFAOYSA-N 1 2 334.420 0.093 20 30 ECEDLO N#Cc1nccnc1NCC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001057511918 772702179 /nfs/dbraw/zinc/70/21/79/772702179.db2.gz XOHCIMUJOLEMLO-UHFFFAOYSA-N 1 2 325.376 0.965 20 30 ECEDLO CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001057524204 772715616 /nfs/dbraw/zinc/71/56/16/772715616.db2.gz BEZQHUJRCQJDFK-HNNXBMFYSA-N 1 2 346.431 0.042 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)NCCN(CCO)C(=O)C#CC(C)(C)C ZINC001057539165 772734627 /nfs/dbraw/zinc/73/46/27/772734627.db2.gz QBZYXWAAOOHGIW-UHFFFAOYSA-N 1 2 348.447 0.339 20 30 ECEDLO CC(C)C#CC(=O)NCCN(CCO)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001057609653 772810461 /nfs/dbraw/zinc/81/04/61/772810461.db2.gz MUPUQYIDDJADDD-OAHLLOKOSA-N 1 2 334.420 0.431 20 30 ECEDLO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001057612678 772815521 /nfs/dbraw/zinc/81/55/21/772815521.db2.gz VUHCWWIAFVDELE-CQSZACIVSA-N 1 2 336.436 0.984 20 30 ECEDLO N#Cc1nccc(N[C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)n1 ZINC001057771606 772972230 /nfs/dbraw/zinc/97/22/30/772972230.db2.gz JYWSXLGHOBKWPR-CYBMUJFWSA-N 1 2 325.376 0.529 20 30 ECEDLO N#Cc1nccc(N[C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)n1 ZINC001057771606 772972234 /nfs/dbraw/zinc/97/22/34/772972234.db2.gz JYWSXLGHOBKWPR-CYBMUJFWSA-N 1 2 325.376 0.529 20 30 ECEDLO C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001057950588 773262903 /nfs/dbraw/zinc/26/29/03/773262903.db2.gz DHVFVIYDTQFOQJ-AWEZNQCLSA-N 1 2 348.447 0.726 20 30 ECEDLO C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001057950588 773262907 /nfs/dbraw/zinc/26/29/07/773262907.db2.gz DHVFVIYDTQFOQJ-AWEZNQCLSA-N 1 2 348.447 0.726 20 30 ECEDLO C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001057970899 773310772 /nfs/dbraw/zinc/31/07/72/773310772.db2.gz MQSXAAPHDFWPBB-ZIAGYGMSSA-N 1 2 334.420 0.807 20 30 ECEDLO C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001057970899 773310778 /nfs/dbraw/zinc/31/07/78/773310778.db2.gz MQSXAAPHDFWPBB-ZIAGYGMSSA-N 1 2 334.420 0.807 20 30 ECEDLO N#Cc1nccnc1N1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001057971580 773312352 /nfs/dbraw/zinc/31/23/52/773312352.db2.gz SSZMOUJSGBBYSM-CHWSQXEVSA-N 1 2 337.387 0.960 20 30 ECEDLO N#Cc1nccnc1N1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001057971580 773312360 /nfs/dbraw/zinc/31/23/60/773312360.db2.gz SSZMOUJSGBBYSM-CHWSQXEVSA-N 1 2 337.387 0.960 20 30 ECEDLO Cc1cc(C#N)nc(N2CCC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)n1 ZINC001058176584 773706695 /nfs/dbraw/zinc/70/66/95/773706695.db2.gz BJNIQIIAROTXCU-CYBMUJFWSA-N 1 2 339.403 0.718 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCCN(c3cc[nH+]c(C)n3)C2)nn1 ZINC001058253604 773848825 /nfs/dbraw/zinc/84/88/25/773848825.db2.gz ZTCCWIKUPFDPTB-ZDUSSCGKSA-N 1 2 327.392 0.961 20 30 ECEDLO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001058304085 773939001 /nfs/dbraw/zinc/93/90/01/773939001.db2.gz TUSHUCMTTFXCNC-AWEZNQCLSA-N 1 2 348.447 0.595 20 30 ECEDLO N#Cc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)nn1 ZINC001058474575 774256563 /nfs/dbraw/zinc/25/65/63/774256563.db2.gz LUCDNJLPXSEYKM-OCCSQVGLSA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1cnc(N2CC[C@@H](NC(=O)[C@H]3CCc4[nH+]ccn4C3)C2)cn1 ZINC001058481734 774273830 /nfs/dbraw/zinc/27/38/30/774273830.db2.gz YRGQRBQQLHNGIB-QWHCGFSZSA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)nn1 ZINC001058541847 774394929 /nfs/dbraw/zinc/39/49/29/774394929.db2.gz VFNVBMPKIKQSMD-QWHCGFSZSA-N 1 2 337.387 0.886 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001044979156 774792303 /nfs/dbraw/zinc/79/23/03/774792303.db2.gz COBTZFIFYCMCPP-STQMWFEESA-N 1 2 334.420 0.490 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001044981416 774797106 /nfs/dbraw/zinc/79/71/06/774797106.db2.gz WGEBQVFHEYUFSM-NWDGAFQWSA-N 1 2 334.420 0.408 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001045064523 774920489 /nfs/dbraw/zinc/92/04/89/774920489.db2.gz UDFBGTGVUBPALD-ZDUSSCGKSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001045068498 774927652 /nfs/dbraw/zinc/92/76/52/774927652.db2.gz GHWKIXJDYDQZQQ-CQSZACIVSA-N 1 2 348.447 0.645 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001044141349 775776597 /nfs/dbraw/zinc/77/65/97/775776597.db2.gz LVLPDODHHGUMHE-UONOGXRCSA-N 1 2 334.420 0.421 20 30 ECEDLO C#CCCCCCC(=O)N1CC(O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001044141873 775779078 /nfs/dbraw/zinc/77/90/78/775779078.db2.gz TZHUKIDAJXSIJQ-UHFFFAOYSA-N 1 2 346.431 0.546 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](C[C@@H]3CCc4ncnn43)C2)cn1 ZINC001044205099 775916327 /nfs/dbraw/zinc/91/63/27/775916327.db2.gz LLVAUPLCTJOLRG-HNNXBMFYSA-N 1 2 336.399 0.598 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2cccc(F)c2F)[C@@H](n2ccnn2)C1 ZINC001070039690 790418879 /nfs/dbraw/zinc/41/88/79/790418879.db2.gz QEITYFITMGFHBX-CABCVRRESA-N 1 2 345.353 0.774 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2cccc(F)c2F)[C@@H](n2ccnn2)C1 ZINC001070039690 790418888 /nfs/dbraw/zinc/41/88/88/790418888.db2.gz QEITYFITMGFHBX-CABCVRRESA-N 1 2 345.353 0.774 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnoc2CC)[C@@H](n2ccnn2)C1 ZINC001070042245 790430393 /nfs/dbraw/zinc/43/03/93/790430393.db2.gz BQCSVKLDBLGXTG-KGLIPLIRSA-N 1 2 328.376 0.507 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnoc2CC)[C@@H](n2ccnn2)C1 ZINC001070042245 790430402 /nfs/dbraw/zinc/43/04/02/790430402.db2.gz BQCSVKLDBLGXTG-KGLIPLIRSA-N 1 2 328.376 0.507 20 30 ECEDLO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001044460242 776320723 /nfs/dbraw/zinc/32/07/23/776320723.db2.gz NAVNCJBZSILKCZ-UHFFFAOYSA-N 1 2 334.420 0.254 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001079840972 776961121 /nfs/dbraw/zinc/96/11/21/776961121.db2.gz CQKGCYGGVLXRMN-ADEWGFFLSA-N 1 2 344.253 0.858 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001079840972 776961128 /nfs/dbraw/zinc/96/11/28/776961128.db2.gz CQKGCYGGVLXRMN-ADEWGFFLSA-N 1 2 344.253 0.858 20 30 ECEDLO C=CCCC(=O)NC[C@@H]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)O1 ZINC001068536985 790506973 /nfs/dbraw/zinc/50/69/73/790506973.db2.gz BVCZSPUUWJEOEY-HNNXBMFYSA-N 1 2 346.431 0.805 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001079966432 777166535 /nfs/dbraw/zinc/16/65/35/777166535.db2.gz URKANIHWOUFIJK-ZDUSSCGKSA-N 1 2 332.404 0.440 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001079966432 777166538 /nfs/dbraw/zinc/16/65/38/777166538.db2.gz URKANIHWOUFIJK-ZDUSSCGKSA-N 1 2 332.404 0.440 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001080013160 777230171 /nfs/dbraw/zinc/23/01/71/777230171.db2.gz WCROFNOTUDRURS-NWANDNLSSA-N 1 2 344.415 0.611 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001080013160 777230180 /nfs/dbraw/zinc/23/01/80/777230180.db2.gz WCROFNOTUDRURS-NWANDNLSSA-N 1 2 344.415 0.611 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC#CC)C[C@@H]2n2ccnn2)nc1 ZINC001070078643 790530390 /nfs/dbraw/zinc/53/03/90/790530390.db2.gz JMMIGMYPQICXIE-SJORKVTESA-N 1 2 334.383 0.333 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC#CC)C[C@@H]2n2ccnn2)nc1 ZINC001070078643 790530401 /nfs/dbraw/zinc/53/04/01/790530401.db2.gz JMMIGMYPQICXIE-SJORKVTESA-N 1 2 334.383 0.333 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)CCc2c[nH+]cn2C)C1 ZINC001080247001 777605980 /nfs/dbraw/zinc/60/59/80/777605980.db2.gz SVQGICOTZDMRQC-AWEZNQCLSA-N 1 2 346.431 0.450 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001080263866 777627022 /nfs/dbraw/zinc/62/70/22/777627022.db2.gz OOFUMTHBEYZXPK-IEBDPFPHSA-N 1 2 345.241 0.355 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001080263866 777627031 /nfs/dbraw/zinc/62/70/31/777627031.db2.gz OOFUMTHBEYZXPK-IEBDPFPHSA-N 1 2 345.241 0.355 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001080360630 777747310 /nfs/dbraw/zinc/74/73/10/777747310.db2.gz FGCOKRPHCYAMEH-WKPIXPDZSA-N 1 2 345.378 0.315 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 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/nfs/dbraw/zinc/09/99/92/784099992.db2.gz NMFARCNNRCCHGH-YUELXQCFSA-N 1 2 345.403 0.326 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cn(C)cn2)C1 ZINC001070910242 784099995 /nfs/dbraw/zinc/09/99/95/784099995.db2.gz NMFARCNNRCCHGH-YUELXQCFSA-N 1 2 345.403 0.326 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@]1(F)CCOC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070447207 784101820 /nfs/dbraw/zinc/10/18/20/784101820.db2.gz FWIUZFGCOXKKHE-DYVFJYSZSA-N 1 2 347.394 0.103 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1csnn1)C[C@H]2c1nnc(C)[nH]1 ZINC001070447485 784103227 /nfs/dbraw/zinc/10/32/27/784103227.db2.gz LZBCPQYTZIXVIL-NSHDSACASA-N 1 2 343.416 0.139 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1oncc1C)C[C@H]2c1nnc(C)[nH]1 ZINC001070450451 784109383 /nfs/dbraw/zinc/10/93/83/784109383.db2.gz FURQTQLYTDOXPM-ZDUSSCGKSA-N 1 2 340.387 0.584 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1nocc1C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070450592 784109797 /nfs/dbraw/zinc/10/97/97/784109797.db2.gz LFRUAVQGWMSSSZ-CYBMUJFWSA-N 1 2 340.387 0.584 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnon2)C1 ZINC001070476175 784158276 /nfs/dbraw/zinc/15/82/76/784158276.db2.gz ASYXSDFPYZYTMN-VHRBIJSZSA-N 1 2 329.364 0.047 20 30 ECEDLO Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2cn(C)cn2)o1 ZINC001070476393 784158385 /nfs/dbraw/zinc/15/83/85/784158385.db2.gz KTOJCBXVUMNGBN-OSAQELSMSA-N 1 2 342.403 0.960 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCCc3n[nH]cc32)CC1 ZINC001070963583 784245114 /nfs/dbraw/zinc/24/51/14/784245114.db2.gz YHABHXKXCQINEU-AWEZNQCLSA-N 1 2 345.447 0.666 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCCc3n[nH]cc32)CC1 ZINC001070963583 784245117 /nfs/dbraw/zinc/24/51/17/784245117.db2.gz YHABHXKXCQINEU-AWEZNQCLSA-N 1 2 345.447 0.666 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)Cn2ccc(C)n2)CC1 ZINC001070968172 784259735 /nfs/dbraw/zinc/25/97/35/784259735.db2.gz RPAYJULJPSSEJI-OAHLLOKOSA-N 1 2 347.463 0.664 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)Cn2ccc(C)n2)CC1 ZINC001070968172 784259743 /nfs/dbraw/zinc/25/97/43/784259743.db2.gz RPAYJULJPSSEJI-OAHLLOKOSA-N 1 2 347.463 0.664 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2ccnc(OC)n2)CC1 ZINC001070979300 784302373 /nfs/dbraw/zinc/30/23/73/784302373.db2.gz ZXPDHARGHKLMKP-UHFFFAOYSA-N 1 2 347.419 0.325 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2ccnc(OC)n2)CC1 ZINC001070979300 784302379 /nfs/dbraw/zinc/30/23/79/784302379.db2.gz ZXPDHARGHKLMKP-UHFFFAOYSA-N 1 2 347.419 0.325 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2coc(OC)n2)CC1 ZINC001070982957 784316706 /nfs/dbraw/zinc/31/67/06/784316706.db2.gz VOJXRLYTODFGMN-UHFFFAOYSA-N 1 2 336.392 0.523 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2coc(OC)n2)CC1 ZINC001070982957 784316712 /nfs/dbraw/zinc/31/67/12/784316712.db2.gz VOJXRLYTODFGMN-UHFFFAOYSA-N 1 2 336.392 0.523 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCOC[C@H]2C)CC1 ZINC001070996121 784355297 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C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2cn(CC)nn2)CC1 ZINC001071011965 784408421 /nfs/dbraw/zinc/40/84/21/784408421.db2.gz ZZNRQLKEMUQQFZ-UHFFFAOYSA-N 1 2 334.424 0.138 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001071016070 784424965 /nfs/dbraw/zinc/42/49/65/784424965.db2.gz GTSMDSXKGUZHSN-UONOGXRCSA-N 1 2 346.431 0.833 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2c(C)onc2CC)CC1 ZINC001071019611 784436292 /nfs/dbraw/zinc/43/62/92/784436292.db2.gz VYCQKAOLLMCWSX-UHFFFAOYSA-N 1 2 346.431 0.833 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2c(C)onc2CC)CC1 ZINC001071019611 784436299 /nfs/dbraw/zinc/43/62/99/784436299.db2.gz VYCQKAOLLMCWSX-UHFFFAOYSA-N 1 2 346.431 0.833 20 30 ECEDLO CN(c1ccc(C#N)nn1)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001068734301 791026062 /nfs/dbraw/zinc/02/60/62/791026062.db2.gz URBUYUHUZIULRN-UHFFFAOYSA-N 1 2 325.376 0.741 20 30 ECEDLO Cc1ncc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)s1 ZINC001070628765 784459946 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20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(OCC)n[nH]3)C[C@@H]21 ZINC001074273744 786564040 /nfs/dbraw/zinc/56/40/40/786564040.db2.gz OFJBQJUDFAFTIU-GJZGRUSLSA-N 1 2 332.404 0.747 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(OCC)n[nH]3)C[C@@H]21 ZINC001074273744 786564046 /nfs/dbraw/zinc/56/40/46/786564046.db2.gz OFJBQJUDFAFTIU-GJZGRUSLSA-N 1 2 332.404 0.747 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3cnccc3OC)C[C@H]21 ZINC001074276757 786570312 /nfs/dbraw/zinc/57/03/12/786570312.db2.gz RWONMLYQZLGNLU-SJLPKXTDSA-N 1 2 343.427 0.958 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3cnccc3OC)C[C@H]21 ZINC001074276757 786570316 /nfs/dbraw/zinc/57/03/16/786570316.db2.gz RWONMLYQZLGNLU-SJLPKXTDSA-N 1 2 343.427 0.958 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccnc4n[nH]nc43)C[C@@H]21 ZINC001074291892 786609100 /nfs/dbraw/zinc/60/91/00/786609100.db2.gz MOGXBCVYFBDUBS-KBPBESRZSA-N 1 2 342.403 0.844 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccnc4n[nH]nc43)C[C@@H]21 ZINC001074291892 786609104 /nfs/dbraw/zinc/60/91/04/786609104.db2.gz MOGXBCVYFBDUBS-KBPBESRZSA-N 1 2 342.403 0.844 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccnc(OC)n3)C[C@H]21 ZINC001074293696 786612851 /nfs/dbraw/zinc/61/28/51/786612851.db2.gz BUKKGRLEDLKOLS-CABCVRRESA-N 1 2 330.388 0.424 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccnc(OC)n3)C[C@H]21 ZINC001074293696 786612857 /nfs/dbraw/zinc/61/28/57/786612857.db2.gz BUKKGRLEDLKOLS-CABCVRRESA-N 1 2 330.388 0.424 20 30 ECEDLO C=CCCC(=O)N1CC(N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC001073564804 786619592 /nfs/dbraw/zinc/61/95/92/786619592.db2.gz MIJFIZRQLIFVEL-UHFFFAOYSA-N 1 2 345.447 0.664 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3ccc(OC)cn3)C[C@H]21 ZINC001074326424 786680699 /nfs/dbraw/zinc/68/06/99/786680699.db2.gz FFRCELMSSOMZBC-MSOLQXFVSA-N 1 2 343.427 0.958 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3ccc(OC)cn3)C[C@H]21 ZINC001074326424 786680702 /nfs/dbraw/zinc/68/07/02/786680702.db2.gz FFRCELMSSOMZBC-MSOLQXFVSA-N 1 2 343.427 0.958 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]3OCC[N@@H+](CCOC)[C@H]3C2)nn1 ZINC001074353892 786737996 /nfs/dbraw/zinc/73/79/96/786737996.db2.gz IBEDCMVIUFWQOH-GJZGRUSLSA-N 1 2 335.408 0.026 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]3OCC[N@H+](CCOC)[C@H]3C2)nn1 ZINC001074353892 786738000 /nfs/dbraw/zinc/73/80/00/786738000.db2.gz IBEDCMVIUFWQOH-GJZGRUSLSA-N 1 2 335.408 0.026 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]3OCC[N@@H+](CCOC)[C@@H]3C2)nn1 ZINC001074353893 786738488 /nfs/dbraw/zinc/73/84/88/786738488.db2.gz IBEDCMVIUFWQOH-HUUCEWRRSA-N 1 2 335.408 0.026 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]3OCC[N@H+](CCOC)[C@@H]3C2)nn1 ZINC001074353893 786738493 /nfs/dbraw/zinc/73/84/93/786738493.db2.gz IBEDCMVIUFWQOH-HUUCEWRRSA-N 1 2 335.408 0.026 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(CC4CC4)nn3)C[C@H]21 ZINC001074372589 786785023 /nfs/dbraw/zinc/78/50/23/786785023.db2.gz ZNVCMLRUHKDGJQ-SJORKVTESA-N 1 2 343.431 0.627 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(CC4CC4)nn3)C[C@H]21 ZINC001074372589 786785031 /nfs/dbraw/zinc/78/50/31/786785031.db2.gz ZNVCMLRUHKDGJQ-SJORKVTESA-N 1 2 343.431 0.627 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]3OCC[N@@H+](CCCO)[C@@H]3C2)nc1 ZINC001074384531 786819140 /nfs/dbraw/zinc/81/91/40/786819140.db2.gz IHGGOXMPZJZAAM-IAGOWNOFSA-N 1 2 329.400 0.361 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]3OCC[N@H+](CCCO)[C@@H]3C2)nc1 ZINC001074384531 786819149 /nfs/dbraw/zinc/81/91/49/786819149.db2.gz IHGGOXMPZJZAAM-IAGOWNOFSA-N 1 2 329.400 0.361 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001073645103 786859111 /nfs/dbraw/zinc/85/91/11/786859111.db2.gz DQNWWGYPLMHPCB-CHWSQXEVSA-N 1 2 329.828 0.472 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001073645103 786859119 /nfs/dbraw/zinc/85/91/19/786859119.db2.gz DQNWWGYPLMHPCB-CHWSQXEVSA-N 1 2 329.828 0.472 20 30 ECEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C(=O)Nc3cc(C)on3)C[C@H]21 ZINC001074402642 786866181 /nfs/dbraw/zinc/86/61/81/786866181.db2.gz JSICKXCNTNALEG-ZIAGYGMSSA-N 1 2 348.403 0.799 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C(=O)Nc3cc(C)on3)C[C@H]21 ZINC001074402642 786866188 /nfs/dbraw/zinc/86/61/88/786866188.db2.gz JSICKXCNTNALEG-ZIAGYGMSSA-N 1 2 348.403 0.799 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)cn3)C[C@@H]21 ZINC001074417060 786916979 /nfs/dbraw/zinc/91/69/79/786916979.db2.gz HXAABAKVSHDSGR-HOTGVXAUSA-N 1 2 342.399 0.119 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)cn3)C[C@@H]21 ZINC001074417060 786916984 /nfs/dbraw/zinc/91/69/84/786916984.db2.gz HXAABAKVSHDSGR-HOTGVXAUSA-N 1 2 342.399 0.119 20 30 ECEDLO C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001073684293 786964580 /nfs/dbraw/zinc/96/45/80/786964580.db2.gz NIZWATFRXDTLBB-KBPBESRZSA-N 1 2 330.450 0.204 20 30 ECEDLO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001073684293 786964586 /nfs/dbraw/zinc/96/45/86/786964586.db2.gz NIZWATFRXDTLBB-KBPBESRZSA-N 1 2 330.450 0.204 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(C(N)=O)o2)C1 ZINC001073687054 786970429 /nfs/dbraw/zinc/97/04/29/786970429.db2.gz ICHOEGCEYDJPPW-NSHDSACASA-N 1 2 341.795 0.952 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(C(N)=O)o2)C1 ZINC001073687054 786970431 /nfs/dbraw/zinc/97/04/31/786970431.db2.gz ICHOEGCEYDJPPW-NSHDSACASA-N 1 2 341.795 0.952 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001073729529 787074071 /nfs/dbraw/zinc/07/40/71/787074071.db2.gz ORTALVHRLFWGGP-OLZOCXBDSA-N 1 2 329.828 0.424 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001073729529 787074082 /nfs/dbraw/zinc/07/40/82/787074082.db2.gz ORTALVHRLFWGGP-OLZOCXBDSA-N 1 2 329.828 0.424 20 30 ECEDLO O=C(CCc1c[nH]c[nH+]1)NCC1(O)CCN(C(=O)C#CC2CC2)CC1 ZINC001074582142 787323113 /nfs/dbraw/zinc/32/31/13/787323113.db2.gz JEGKDKDQRPWRFF-UHFFFAOYSA-N 1 2 344.415 0.225 20 30 ECEDLO O=C(CCc1c[nH+]c[nH]1)NCC1(O)CCN(C(=O)C#CC2CC2)CC1 ZINC001074582142 787323122 /nfs/dbraw/zinc/32/31/22/787323122.db2.gz JEGKDKDQRPWRFF-UHFFFAOYSA-N 1 2 344.415 0.225 20 30 ECEDLO CC(C)(C)C#CC(=O)NCC1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001074692536 787615035 /nfs/dbraw/zinc/61/50/35/787615035.db2.gz KLEVKJPJSHQNGM-UHFFFAOYSA-N 1 2 346.431 0.471 20 30 ECEDLO C=C1CC(C)(C(=O)NCC2(O)CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001074758462 787771747 /nfs/dbraw/zinc/77/17/47/787771747.db2.gz ARIMOHKXMXZIFN-UHFFFAOYSA-N 1 2 346.431 0.778 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC001074080465 787829585 /nfs/dbraw/zinc/82/95/85/787829585.db2.gz SHZPPRKMEQJPSK-OCCSQVGLSA-N 1 2 349.460 0.573 20 30 ECEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)c3ncn(C)n3)C2)C1 ZINC001072702099 788619028 /nfs/dbraw/zinc/61/90/28/788619028.db2.gz CHBKWGUVIXEJFN-UHFFFAOYSA-N 1 2 340.225 0.872 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)c3ncn(C)n3)C2)C1 ZINC001072702099 788619031 /nfs/dbraw/zinc/61/90/31/788619031.db2.gz CHBKWGUVIXEJFN-UHFFFAOYSA-N 1 2 340.225 0.872 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CCC(CC)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001069376764 789784293 /nfs/dbraw/zinc/78/42/93/789784293.db2.gz GAHPEEYAOSPWPD-AWEZNQCLSA-N 1 2 346.431 0.878 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1c1cnc(C#N)cn1 ZINC001069383689 789789220 /nfs/dbraw/zinc/78/92/20/789789220.db2.gz NCTWMUXDRYPVQE-YPMHNXCESA-N 1 2 325.376 0.788 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1c1nccnc1C#N ZINC001069384396 789790126 /nfs/dbraw/zinc/79/01/26/789790126.db2.gz XQGRWTAMIGPUOQ-RYUDHWBXSA-N 1 2 325.376 0.788 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1c1cncc(C#N)n1 ZINC001069384514 789790225 /nfs/dbraw/zinc/79/02/25/789790225.db2.gz ZBLXPSMEDFFJOV-AAEUAGOBSA-N 1 2 325.376 0.788 20 30 ECEDLO CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1Nc1ccc(C#N)nn1 ZINC001069620038 789935616 /nfs/dbraw/zinc/93/56/16/789935616.db2.gz WBFZDINCJKIPGX-CYBMUJFWSA-N 1 2 325.376 0.963 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccncc2CC)[C@@H](n2ccnn2)C1 ZINC001069964283 790249297 /nfs/dbraw/zinc/24/92/97/790249297.db2.gz FJXNDLUNYLBZHM-SJORKVTESA-N 1 2 338.415 0.914 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccncc2CC)[C@@H](n2ccnn2)C1 ZINC001069964283 790249302 /nfs/dbraw/zinc/24/93/02/790249302.db2.gz FJXNDLUNYLBZHM-SJORKVTESA-N 1 2 338.415 0.914 20 30 ECEDLO C=CCN1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](n2ccnn2)C1 ZINC001069964484 790250245 /nfs/dbraw/zinc/25/02/45/790250245.db2.gz ONJNENYUZUEZKG-CABCVRRESA-N 1 2 345.407 0.169 20 30 ECEDLO C#CCCCC(=O)N[C@H]1COC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001068836388 791228903 /nfs/dbraw/zinc/22/89/03/791228903.db2.gz FSNAPWVYSGDSNN-CQSZACIVSA-N 1 2 344.415 0.632 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001068836387 791229246 /nfs/dbraw/zinc/22/92/46/791229246.db2.gz FSNAPWVYSGDSNN-AWEZNQCLSA-N 1 2 344.415 0.632 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1COC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001068975828 791532882 /nfs/dbraw/zinc/53/28/82/791532882.db2.gz ODQYZLLMAVTBDG-GJZGRUSLSA-N 1 2 346.431 0.972 20 30 ECEDLO C=CCCOCC(=O)N1CC2(C1)C[C@H](NC(=O)Cc1c[nH]c[nH+]1)CO2 ZINC001069058078 791663022 /nfs/dbraw/zinc/66/30/22/791663022.db2.gz WGXBIBRDXYBKNB-AWEZNQCLSA-N 1 2 348.403 0.031 20 30 ECEDLO CO[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCN(c3nccnc3C#N)CC2)C1 ZINC001066697878 792015275 /nfs/dbraw/zinc/01/52/75/792015275.db2.gz FQJKFTFNQJETJP-ZIAGYGMSSA-N 1 2 344.419 0.106 20 30 ECEDLO CC(C)C(=O)N1CC[C@H]([NH+]2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001066698231 792016878 /nfs/dbraw/zinc/01/68/78/792016878.db2.gz IZBPLLBFACSVGJ-HNNXBMFYSA-N 1 2 328.420 0.727 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(c3nccnc3C#N)CC2)C1 ZINC001066698213 792017222 /nfs/dbraw/zinc/01/72/22/792017222.db2.gz IVODNFMAECHIFD-ZIAGYGMSSA-N 1 2 339.403 0.231 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(c3ncccc3C#N)CC2)C1 ZINC001066698742 792019866 /nfs/dbraw/zinc/01/98/66/792019866.db2.gz OCFNKPQBVLRZCA-GDBMZVCRSA-N 1 2 338.415 0.836 20 30 ECEDLO CC1(C(=O)N2CC[C@@H]([NH+]3CCN(c4nccnc4C#N)CC3)C2)CC1 ZINC001066707975 792036144 /nfs/dbraw/zinc/03/61/44/792036144.db2.gz CSTOFDPYZMQTDR-CQSZACIVSA-N 1 2 340.431 0.871 20 30 ECEDLO N#Cc1nccc(N2CCC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001066753981 792105433 /nfs/dbraw/zinc/10/54/33/792105433.db2.gz SWCXSWRKLWOKGJ-ZDUSSCGKSA-N 1 2 325.376 0.720 20 30 ECEDLO N#Cc1ccc(N2CCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)nn1 ZINC001066758084 792114230 /nfs/dbraw/zinc/11/42/30/792114230.db2.gz FEXKQQKCLDURBV-GFCCVEGCSA-N 1 2 325.376 0.789 20 30 ECEDLO C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001067704925 792159527 /nfs/dbraw/zinc/15/95/27/792159527.db2.gz RGYNBRRRXLFUJY-KBPBESRZSA-N 1 2 331.420 0.912 20 30 ECEDLO Cc1cc(C#N)nc(N(C)C[C@@H]2CCCN2C(=O)Cn2cc[nH+]c2)n1 ZINC001067765586 792251324 /nfs/dbraw/zinc/25/13/24/792251324.db2.gz QOUIDCVDMWWGOZ-HNNXBMFYSA-N 1 2 339.403 0.981 20 30 ECEDLO N#Cc1cnc(N[C@]2(CO)CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)cn1 ZINC001066923695 792395879 /nfs/dbraw/zinc/39/58/79/792395879.db2.gz RFFOKVONPWSQDP-MRXNPFEDSA-N 1 2 341.375 0.079 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[C@@H](C)[C@@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001067966131 792518401 /nfs/dbraw/zinc/51/84/01/792518401.db2.gz WCDYVHPRTGDQQA-DOMZBBRYSA-N 1 2 339.403 0.884 20 30 ECEDLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1Nc1ccc(C#N)nn1 ZINC001067173882 792777065 /nfs/dbraw/zinc/77/70/65/792777065.db2.gz BMCQWRDDHMUHDC-JSGCOSHPSA-N 1 2 325.376 0.894 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067407637 793111821 /nfs/dbraw/zinc/11/18/21/793111821.db2.gz JFGPNFUDECTZQX-RYUDHWBXSA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@H]1CN(c2cnc(C#N)cn2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067408919 793114345 /nfs/dbraw/zinc/11/43/45/793114345.db2.gz WYNUGCVJRKMNLM-WCQYABFASA-N 1 2 325.376 0.645 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1C ZINC001067408273 793114867 /nfs/dbraw/zinc/11/48/67/793114867.db2.gz RIDCTOVWPDPVDA-FZMZJTMJSA-N 1 2 339.403 0.954 20 30 ECEDLO C[C@@H]1C[C@H](CNc2ccc(C#N)nn2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001068375861 793150736 /nfs/dbraw/zinc/15/07/36/793150736.db2.gz NHFDCOMZEMHFLG-VXGBXAGGSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@@H]1CN(c2cncc(C#N)n2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067440715 793163864 /nfs/dbraw/zinc/16/38/64/793163864.db2.gz NVQNEPMSHUAFEC-RISCZKNCSA-N 1 2 325.376 0.645 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2oc(C)nc2C)C1 ZINC001267453571 837438740 /nfs/dbraw/zinc/43/87/40/837438740.db2.gz FLBRUKHDLHLPJJ-OAHLLOKOSA-N 1 2 346.431 0.967 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2oc(C)nc2C)C1 ZINC001267453571 837438744 /nfs/dbraw/zinc/43/87/44/837438744.db2.gz FLBRUKHDLHLPJJ-OAHLLOKOSA-N 1 2 346.431 0.967 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCN(C)S(C)(=O)=O ZINC001267530136 837702379 /nfs/dbraw/zinc/70/23/79/837702379.db2.gz YIDUFEZXPPDFQB-GASCZTMLSA-N 1 2 341.477 0.212 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN(C)S(C)(=O)=O ZINC001267530136 837702386 /nfs/dbraw/zinc/70/23/86/837702386.db2.gz 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344.459 0.729 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H](OC)C(F)(F)F)C1 ZINC001266245616 835550968 /nfs/dbraw/zinc/55/09/68/835550968.db2.gz DEBFBIWJXMBXAL-VXGBXAGGSA-N 1 2 349.353 0.284 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](OC)C(F)(F)F)C1 ZINC001266245616 835550973 /nfs/dbraw/zinc/55/09/73/835550973.db2.gz DEBFBIWJXMBXAL-VXGBXAGGSA-N 1 2 349.353 0.284 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[N@H+](C)CC(=O)N1CCCCCCC1 ZINC001266274972 835598646 /nfs/dbraw/zinc/59/86/46/835598646.db2.gz IDOHGAFNFGYHDH-MRXNPFEDSA-N 1 2 337.464 0.865 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[N@@H+](C)CC(=O)N1CCCCCCC1 ZINC001266274972 835598650 /nfs/dbraw/zinc/59/86/50/835598650.db2.gz IDOHGAFNFGYHDH-MRXNPFEDSA-N 1 2 337.464 0.865 20 30 ECEDLO CC#CCN1CC[NH+](CCNC(=O)C[C@H]2CCOC[C@H]2OC)CC1 ZINC001266285950 835621700 /nfs/dbraw/zinc/62/17/00/835621700.db2.gz SSNDLMFWFRQIRE-IAGOWNOFSA-N 1 2 337.464 0.185 20 30 ECEDLO COCC#CCN1CC[NH+](CCNC(=O)C[C@H]2CCCOC2)CC1 ZINC001266296654 835643887 /nfs/dbraw/zinc/64/38/87/835643887.db2.gz CBROGJIGILRTQY-QGZVFWFLSA-N 1 2 337.464 0.187 20 30 ECEDLO COCC#CC[NH+]1CCN(CCNC(=O)C[C@H]2CCCOC2)CC1 ZINC001266296654 835643889 /nfs/dbraw/zinc/64/38/89/835643889.db2.gz CBROGJIGILRTQY-QGZVFWFLSA-N 1 2 337.464 0.187 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cc2ccccc2[nH]c1=O ZINC001266304396 835667693 /nfs/dbraw/zinc/66/76/93/835667693.db2.gz UFEPJWICYHIUTD-UHFFFAOYSA-N 1 2 342.399 0.904 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cc2ccccc2[nH]c1=O ZINC001266304396 835667699 /nfs/dbraw/zinc/66/76/99/835667699.db2.gz UFEPJWICYHIUTD-UHFFFAOYSA-N 1 2 342.399 0.904 20 30 ECEDLO C#CCCCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC001266316369 835684546 /nfs/dbraw/zinc/68/45/46/835684546.db2.gz BRSZTNJGPYQHPM-HNNXBMFYSA-N 1 2 348.447 0.749 20 30 ECEDLO C#CCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC001266316369 835684549 /nfs/dbraw/zinc/68/45/49/835684549.db2.gz BRSZTNJGPYQHPM-HNNXBMFYSA-N 1 2 348.447 0.749 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1ccc2cnccc2n1 ZINC001266330019 835710846 /nfs/dbraw/zinc/71/08/46/835710846.db2.gz QHJISONEZAJMJI-UHFFFAOYSA-N 1 2 327.388 0.594 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccc2cnccc2n1 ZINC001266330019 835710854 /nfs/dbraw/zinc/71/08/54/835710854.db2.gz QHJISONEZAJMJI-UHFFFAOYSA-N 1 2 327.388 0.594 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C2CCOCC2)C1 ZINC001266330447 835711657 /nfs/dbraw/zinc/71/16/57/835711657.db2.gz DQKXSAUMSFTYLB-OAHLLOKOSA-N 1 2 337.464 0.932 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C2CCOCC2)C1 ZINC001266330447 835711660 /nfs/dbraw/zinc/71/16/60/835711660.db2.gz DQKXSAUMSFTYLB-OAHLLOKOSA-N 1 2 337.464 0.932 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC001266345591 835735384 /nfs/dbraw/zinc/73/53/84/835735384.db2.gz WZUNFWAUTGXXHC-AWEZNQCLSA-N 1 2 331.420 0.254 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC001266345591 835735389 /nfs/dbraw/zinc/73/53/89/835735389.db2.gz WZUNFWAUTGXXHC-AWEZNQCLSA-N 1 2 331.420 0.254 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)Cc1c(C)nn(C(C)C)c1C ZINC001266347060 835739235 /nfs/dbraw/zinc/73/92/35/835739235.db2.gz GESFHXQIKNPMOA-UHFFFAOYSA-N 1 2 347.463 0.421 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)Cc1c(C)nn(C(C)C)c1C ZINC001266347060 835739242 /nfs/dbraw/zinc/73/92/42/835739242.db2.gz GESFHXQIKNPMOA-UHFFFAOYSA-N 1 2 347.463 0.421 20 30 ECEDLO C#Cc1ccc(C(=O)NCC[N@@H+](C)CC(=O)NCc2ccco2)nc1 ZINC001266350106 835745483 /nfs/dbraw/zinc/74/54/83/835745483.db2.gz GYCHZOWDCUIOCW-UHFFFAOYSA-N 1 2 340.383 0.634 20 30 ECEDLO C#Cc1ccc(C(=O)NCC[N@H+](C)CC(=O)NCc2ccco2)nc1 ZINC001266350106 835745488 /nfs/dbraw/zinc/74/54/88/835745488.db2.gz GYCHZOWDCUIOCW-UHFFFAOYSA-N 1 2 340.383 0.634 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(OC)c(OC)c2)C1 ZINC001266357169 835762758 /nfs/dbraw/zinc/76/27/58/835762758.db2.gz ZRJYDIBFRKCKMT-AWEZNQCLSA-N 1 2 345.399 0.257 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(OC)c(OC)c2)C1 ZINC001266357169 835762763 /nfs/dbraw/zinc/76/27/63/835762763.db2.gz ZRJYDIBFRKCKMT-AWEZNQCLSA-N 1 2 345.399 0.257 20 30 ECEDLO Cc1ccn(C[C@H](C)C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NCC#N)n1 ZINC001266465475 835866623 /nfs/dbraw/zinc/86/66/23/835866623.db2.gz WQRGAMCOYSASML-DZGCQCFKSA-N 1 2 346.435 0.048 20 30 ECEDLO Cc1ccn(C[C@H](C)C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NCC#N)n1 ZINC001266465475 835866628 /nfs/dbraw/zinc/86/66/28/835866628.db2.gz WQRGAMCOYSASML-DZGCQCFKSA-N 1 2 346.435 0.048 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnc(C2CC2)nc1 ZINC001266487224 835888076 /nfs/dbraw/zinc/88/80/76/835888076.db2.gz WNXZZWJGDWIHIE-AWEZNQCLSA-N 1 2 342.403 0.188 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cnc(C2CC2)nc1 ZINC001266487224 835888081 /nfs/dbraw/zinc/88/80/81/835888081.db2.gz WNXZZWJGDWIHIE-AWEZNQCLSA-N 1 2 342.403 0.188 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2nnc(C)n2CCC)C1 ZINC001266514329 835925392 /nfs/dbraw/zinc/92/53/92/835925392.db2.gz PYGMGLGBAQBBAU-HOCLYGCPSA-N 1 2 347.463 0.973 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2nnc(C)n2CCC)C1 ZINC001266514329 835925399 /nfs/dbraw/zinc/92/53/99/835925399.db2.gz PYGMGLGBAQBBAU-HOCLYGCPSA-N 1 2 347.463 0.973 20 30 ECEDLO CCC[N@@H+](CC#CCOC)CCNC(=O)C1(S(C)(=O)=O)CCC1 ZINC001266575391 836005831 /nfs/dbraw/zinc/00/58/31/836005831.db2.gz NAGAXQZWTPUGFD-UHFFFAOYSA-N 1 2 344.477 0.432 20 30 ECEDLO CCC[N@H+](CC#CCOC)CCNC(=O)C1(S(C)(=O)=O)CCC1 ZINC001266575391 836005841 /nfs/dbraw/zinc/00/58/41/836005841.db2.gz NAGAXQZWTPUGFD-UHFFFAOYSA-N 1 2 344.477 0.432 20 30 ECEDLO C#CCCCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001266586587 836016878 /nfs/dbraw/zinc/01/68/78/836016878.db2.gz CZUOEXUPFJFVPS-HDJSIYSDSA-N 1 2 341.415 0.953 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CS(=O)(=O)CC ZINC001266889653 836438233 /nfs/dbraw/zinc/43/82/33/836438233.db2.gz KHZUXDQJKKPGFD-CABCVRRESA-N 1 2 326.462 0.900 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CS(=O)(=O)CC ZINC001266889653 836438236 /nfs/dbraw/zinc/43/82/36/836438236.db2.gz KHZUXDQJKKPGFD-CABCVRRESA-N 1 2 326.462 0.900 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@H]([NH2+]Cc2nc(CCOC)no2)C1 ZINC001267008911 836607685 /nfs/dbraw/zinc/60/76/85/836607685.db2.gz JGDLRNQBMKFHLT-BLLLJJGKSA-N 1 2 338.408 0.276 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCNC(=O)CSCC#N)c1 ZINC001267187321 836941866 /nfs/dbraw/zinc/94/18/66/836941866.db2.gz SULJUTRVVNTNBW-UHFFFAOYSA-N 1 2 344.440 0.911 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCNC(=O)CSCC#N)c1 ZINC001267187321 836941877 /nfs/dbraw/zinc/94/18/77/836941877.db2.gz SULJUTRVVNTNBW-UHFFFAOYSA-N 1 2 344.440 0.911 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCC[N@@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001267210435 836997737 /nfs/dbraw/zinc/99/77/37/836997737.db2.gz GZKSQYSRMCKISM-ZDUSSCGKSA-N 1 2 340.468 0.230 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCC[N@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001267210435 836997742 /nfs/dbraw/zinc/99/77/42/836997742.db2.gz GZKSQYSRMCKISM-ZDUSSCGKSA-N 1 2 340.468 0.230 20 30 ECEDLO COc1cc(Cl)cc(C(=O)NCC[N@H+](C)CC(=O)NCC#N)c1 ZINC001267223539 837017339 /nfs/dbraw/zinc/01/73/39/837017339.db2.gz JZBWEFLGJZZTTA-UHFFFAOYSA-N 1 2 338.795 0.650 20 30 ECEDLO COc1cc(Cl)cc(C(=O)NCC[N@@H+](C)CC(=O)NCC#N)c1 ZINC001267223539 837017348 /nfs/dbraw/zinc/01/73/48/837017348.db2.gz JZBWEFLGJZZTTA-UHFFFAOYSA-N 1 2 338.795 0.650 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)CC(F)(F)C(F)(F)F ZINC001267233000 837037789 /nfs/dbraw/zinc/03/77/89/837037789.db2.gz HUCIQTVEEJMBLO-UHFFFAOYSA-N 1 2 329.269 0.372 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)CC(F)(F)C(F)(F)F ZINC001267233000 837037797 /nfs/dbraw/zinc/03/77/97/837037797.db2.gz HUCIQTVEEJMBLO-UHFFFAOYSA-N 1 2 329.269 0.372 20 30 ECEDLO CC[N@H+](CCNC(=O)C#CC(C)C)[C@H](C)C(=O)Nc1ncccn1 ZINC001267241326 837049279 /nfs/dbraw/zinc/04/92/79/837049279.db2.gz SHLFOFZWIBSLST-CQSZACIVSA-N 1 2 331.420 0.901 20 30 ECEDLO CC[N@@H+](CCNC(=O)C#CC(C)C)[C@H](C)C(=O)Nc1ncccn1 ZINC001267241326 837049288 /nfs/dbraw/zinc/04/92/88/837049288.db2.gz SHLFOFZWIBSLST-CQSZACIVSA-N 1 2 331.420 0.901 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1cnnn1C ZINC001267277908 837122973 /nfs/dbraw/zinc/12/29/73/837122973.db2.gz COZKPAZCGSQNES-GOEBONIOSA-N 1 2 348.451 0.367 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cnnn1C ZINC001267277908 837122983 /nfs/dbraw/zinc/12/29/83/837122983.db2.gz COZKPAZCGSQNES-GOEBONIOSA-N 1 2 348.451 0.367 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(CCN(C)C(=O)[C@H](F)CC)CC1 ZINC001267609082 837965139 /nfs/dbraw/zinc/96/51/39/837965139.db2.gz OAATXEYDBWRROA-LSDHHAIUSA-N 1 2 342.459 0.501 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001267616964 838029520 /nfs/dbraw/zinc/02/95/20/838029520.db2.gz HJZCDHSGRREQLI-CQSZACIVSA-N 1 2 348.447 0.935 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001267616964 838029531 /nfs/dbraw/zinc/02/95/31/838029531.db2.gz HJZCDHSGRREQLI-CQSZACIVSA-N 1 2 348.447 0.935 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@H](C)C(F)(F)F)C1 ZINC001267617544 838040875 /nfs/dbraw/zinc/04/08/75/838040875.db2.gz PHKWEPRCSWQYAJ-NWDGAFQWSA-N 1 2 333.354 0.905 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)C(F)(F)F)C1 ZINC001267617544 838040886 /nfs/dbraw/zinc/04/08/86/838040886.db2.gz PHKWEPRCSWQYAJ-NWDGAFQWSA-N 1 2 333.354 0.905 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2ccoc2)C1 ZINC001267675175 838220771 /nfs/dbraw/zinc/22/07/71/838220771.db2.gz PJNJNTKDSVJWGF-LLVKDONJSA-N 1 2 334.376 0.342 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2ccnn2[C@H](C)CC)C1 ZINC001267682912 838242695 /nfs/dbraw/zinc/24/26/95/838242695.db2.gz DVRDWOJEMKRSAH-CYBMUJFWSA-N 1 2 333.436 0.818 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2ccn(CC(C)C)n2)C1 ZINC001267683720 838245818 /nfs/dbraw/zinc/24/58/18/838245818.db2.gz NRWDJMUXZRYJJY-CQSZACIVSA-N 1 2 347.463 0.891 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001267695637 838283221 /nfs/dbraw/zinc/28/32/21/838283221.db2.gz CIGQWOHRUNSNHL-UHFFFAOYSA-N 1 2 330.432 0.857 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001267725874 838400167 /nfs/dbraw/zinc/40/01/67/838400167.db2.gz HQVVTXNKRVQLAU-NEPJUHHUSA-N 1 2 328.363 0.642 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001267725874 838400171 /nfs/dbraw/zinc/40/01/71/838400171.db2.gz HQVVTXNKRVQLAU-NEPJUHHUSA-N 1 2 328.363 0.642 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cc(C(C)C)on2)C1 ZINC001267727526 838407650 /nfs/dbraw/zinc/40/76/50/838407650.db2.gz QDQRDNCTJLQEHC-STQMWFEESA-N 1 2 332.404 0.740 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cc(C(C)C)on2)C1 ZINC001267727526 838407654 /nfs/dbraw/zinc/40/76/54/838407654.db2.gz QDQRDNCTJLQEHC-STQMWFEESA-N 1 2 332.404 0.740 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(C)(C)C)C2)nn1 ZINC001267731335 838419208 /nfs/dbraw/zinc/41/92/08/838419208.db2.gz YBJXZGOVNQVSPQ-ZDUSSCGKSA-N 1 2 348.451 0.573 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(C)(C)C)C2)nn1 ZINC001267731335 838419213 /nfs/dbraw/zinc/41/92/13/838419213.db2.gz YBJXZGOVNQVSPQ-ZDUSSCGKSA-N 1 2 348.451 0.573 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccc3nsnc32)C1 ZINC001267732359 838420167 /nfs/dbraw/zinc/42/01/67/838420167.db2.gz GFYYOWYIWUTNQY-JTQLQIEISA-N 1 2 344.400 0.135 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cccc3nsnc32)C1 ZINC001267732359 838420171 /nfs/dbraw/zinc/42/01/71/838420171.db2.gz GFYYOWYIWUTNQY-JTQLQIEISA-N 1 2 344.400 0.135 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nn(C)cc2Cl)C1 ZINC001267741921 838442989 /nfs/dbraw/zinc/44/29/89/838442989.db2.gz RXQIQAIXOGVHQA-SNVBAGLBSA-N 1 2 325.800 0.180 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nn(C)cc2Cl)C1 ZINC001267741921 838442993 /nfs/dbraw/zinc/44/29/93/838442993.db2.gz RXQIQAIXOGVHQA-SNVBAGLBSA-N 1 2 325.800 0.180 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](CC)OC2CCCC2)C1 ZINC001267750094 838468520 /nfs/dbraw/zinc/46/85/20/838468520.db2.gz SQXLJINPPHVTDJ-ZBFHGGJFSA-N 1 2 335.448 0.664 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)OC2CCCC2)C1 ZINC001267750094 838468523 /nfs/dbraw/zinc/46/85/23/838468523.db2.gz SQXLJINPPHVTDJ-ZBFHGGJFSA-N 1 2 335.448 0.664 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc3cn[nH]c32)C1 ZINC001267767485 838504335 /nfs/dbraw/zinc/50/43/35/838504335.db2.gz GXYUFWNVQPUIMJ-AWEZNQCLSA-N 1 2 339.399 0.459 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3cn[nH]c32)C1 ZINC001267767485 838504346 /nfs/dbraw/zinc/50/43/46/838504346.db2.gz GXYUFWNVQPUIMJ-AWEZNQCLSA-N 1 2 339.399 0.459 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc3c[nH]nc32)C1 ZINC001267767485 838504357 /nfs/dbraw/zinc/50/43/57/838504357.db2.gz GXYUFWNVQPUIMJ-AWEZNQCLSA-N 1 2 339.399 0.459 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3c[nH]nc32)C1 ZINC001267767485 838504364 /nfs/dbraw/zinc/50/43/64/838504364.db2.gz GXYUFWNVQPUIMJ-AWEZNQCLSA-N 1 2 339.399 0.459 20 30 ECEDLO Cc1cc(C)n(CCC(=O)N(C)[C@H]2CC[N@H+](CC(=O)NCC#N)C2)n1 ZINC001267769190 838514079 /nfs/dbraw/zinc/51/40/79/838514079.db2.gz VDFUGHBOLKQBDO-HNNXBMFYSA-N 1 2 346.435 0.063 20 30 ECEDLO Cc1cc(C)n(CCC(=O)N(C)[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)n1 ZINC001267769190 838514082 /nfs/dbraw/zinc/51/40/82/838514082.db2.gz VDFUGHBOLKQBDO-HNNXBMFYSA-N 1 2 346.435 0.063 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(F)cc(F)c2)C1 ZINC001267776490 838542046 /nfs/dbraw/zinc/54/20/46/838542046.db2.gz BMVQHPXAQARXOI-HNNXBMFYSA-N 1 2 335.354 0.861 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(F)cc(F)c2)C1 ZINC001267776490 838542055 /nfs/dbraw/zinc/54/20/55/838542055.db2.gz BMVQHPXAQARXOI-HNNXBMFYSA-N 1 2 335.354 0.861 20 30 ECEDLO CCN(C(=O)[C@H](C)OCC1CC1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267782441 838555779 /nfs/dbraw/zinc/55/57/79/838555779.db2.gz VSYGVKHUXUALFK-ZFWWWQNUSA-N 1 2 336.436 0.364 20 30 ECEDLO CCN(C(=O)[C@H](C)OCC1CC1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267782441 838555781 /nfs/dbraw/zinc/55/57/81/838555781.db2.gz VSYGVKHUXUALFK-ZFWWWQNUSA-N 1 2 336.436 0.364 20 30 ECEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267786337 838566630 /nfs/dbraw/zinc/56/66/30/838566630.db2.gz VMNWPNKDNNVRHI-ZDUSSCGKSA-N 1 2 328.376 0.063 20 30 ECEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267786337 838566636 /nfs/dbraw/zinc/56/66/36/838566636.db2.gz VMNWPNKDNNVRHI-ZDUSSCGKSA-N 1 2 328.376 0.063 20 30 ECEDLO CCN(C(=O)Cc1cccc(F)c1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267791800 838572665 /nfs/dbraw/zinc/57/26/65/838572665.db2.gz ZVEXXLRWVPJGJI-INIZCTEOSA-N 1 2 346.406 0.931 20 30 ECEDLO CCN(C(=O)Cc1cccc(F)c1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267791800 838572672 /nfs/dbraw/zinc/57/26/72/838572672.db2.gz ZVEXXLRWVPJGJI-INIZCTEOSA-N 1 2 346.406 0.931 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C)NC(=O)CC(C)(C)C)C1 ZINC001268029225 839045865 /nfs/dbraw/zinc/04/58/65/839045865.db2.gz CZFCQLCACIWXQJ-KBPBESRZSA-N 1 2 325.453 0.930 20 30 ECEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H](C)NC(=O)CC(C)(C)C)C1 ZINC001268029225 839045876 /nfs/dbraw/zinc/04/58/76/839045876.db2.gz CZFCQLCACIWXQJ-KBPBESRZSA-N 1 2 325.453 0.930 20 30 ECEDLO COCC#CC[NH+]1CC2(C1)CCN(C(=O)Cn1ccnc1C)CC2 ZINC001268046463 839212591 /nfs/dbraw/zinc/21/25/91/839212591.db2.gz AZYPKXMBQITJMS-UHFFFAOYSA-N 1 2 330.432 0.766 20 30 ECEDLO COCC#CCN1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1C)CC2 ZINC001268046463 839212598 /nfs/dbraw/zinc/21/25/98/839212598.db2.gz AZYPKXMBQITJMS-UHFFFAOYSA-N 1 2 330.432 0.766 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CSc1ccc(C#N)cc1 ZINC000267551452 251147780 /nfs/dbraw/zinc/14/77/80/251147780.db2.gz BMLYAAUVLISFEZ-OAHLLOKOSA-N 1 2 349.456 0.802 20 30 ECEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1[nH+]ccn1C ZINC000268833826 252283478 /nfs/dbraw/zinc/28/34/78/252283478.db2.gz PCUWVENNJMWEJG-NSHDSACASA-N 1 2 347.400 0.275 20 30 ECEDLO COCC(COC)[NH+]1CCN(C(=O)COc2ccccc2C#N)CC1 ZINC000412559831 208249439 /nfs/dbraw/zinc/24/94/39/208249439.db2.gz YUWPWDLIPNRZHK-UHFFFAOYSA-N 1 2 347.415 0.743 20 30 ECEDLO CN(CCC#N)S(=O)(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000160770262 254502695 /nfs/dbraw/zinc/50/26/95/254502695.db2.gz HLZJSPKXUZQHIL-UHFFFAOYSA-N 1 2 338.433 0.600 20 30 ECEDLO CCO[C@@H]1C[C@H](NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)[C@H]1OC ZINC000329228620 254601982 /nfs/dbraw/zinc/60/19/82/254601982.db2.gz IUHRQXNRAGPSJZ-ZVDSWSACSA-N 1 2 341.452 0.888 20 30 ECEDLO C=CCNS(=O)(=O)c1ccc(C(=O)NCCc2cn(C)c[nH+]2)cc1 ZINC000457883545 254810612 /nfs/dbraw/zinc/81/06/12/254810612.db2.gz OKYBWIDMWMTJPQ-UHFFFAOYSA-N 1 2 348.428 0.857 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(C(=O)NC)ccc2Cl)CC1 ZINC000490778759 254885861 /nfs/dbraw/zinc/88/58/61/254885861.db2.gz KQRUGQFQWRQUNS-UHFFFAOYSA-N 1 2 348.834 0.889 20 30 ECEDLO C[C@H]1OC(=O)N[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000496757897 255127588 /nfs/dbraw/zinc/12/75/88/255127588.db2.gz MEGLZXZZWFXRHC-IUODEOHRSA-N 1 2 328.372 0.699 20 30 ECEDLO C=CCONC(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000497106926 255148343 /nfs/dbraw/zinc/14/83/43/255148343.db2.gz LOHIVUSEZBZECP-UHFFFAOYSA-N 1 2 328.413 0.956 20 30 ECEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000117106650 221031073 /nfs/dbraw/zinc/03/10/73/221031073.db2.gz XJXNKUSVFGAGJW-UHFFFAOYSA-N 1 2 337.445 0.944 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2nccc(C)c2C#N)CC1 ZINC000343507554 269732368 /nfs/dbraw/zinc/73/23/68/269732368.db2.gz HFADXRUTISLYDT-HNNXBMFYSA-N 1 2 345.447 0.925 20 30 ECEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000271134422 263302233 /nfs/dbraw/zinc/30/22/33/263302233.db2.gz NOEOWMYWHGVKTF-NHYWBVRUSA-N 1 2 342.355 0.949 20 30 ECEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000271134422 263302235 /nfs/dbraw/zinc/30/22/35/263302235.db2.gz NOEOWMYWHGVKTF-NHYWBVRUSA-N 1 2 342.355 0.949 20 30 ECEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000340290434 270005875 /nfs/dbraw/zinc/00/58/75/270005875.db2.gz TUMKOZMGLMSKKT-QWHCGFSZSA-N 1 2 330.344 0.688 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1=O ZINC000360909550 270007271 /nfs/dbraw/zinc/00/72/71/270007271.db2.gz ILOHTELKFPCNHQ-GFCCVEGCSA-N 1 2 326.360 0.541 20 30 ECEDLO C[C@@H]1NC(=O)N(CC[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1=O ZINC000331678218 267096157 /nfs/dbraw/zinc/09/61/57/267096157.db2.gz ZQYMXTDDZUZKJN-WFASDCNBSA-N 1 2 328.372 0.872 20 30 ECEDLO C[C@@H]1NC(=O)N(CC[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1=O ZINC000331678218 267096159 /nfs/dbraw/zinc/09/61/59/267096159.db2.gz ZQYMXTDDZUZKJN-WFASDCNBSA-N 1 2 328.372 0.872 20 30 ECEDLO C[C@H]([C@H](C)NC(=O)C(=O)Nc1ccc(C#N)cn1)[NH+]1CCOCC1 ZINC000340001634 267206204 /nfs/dbraw/zinc/20/62/04/267206204.db2.gz XVONXSOEMKKGJN-NWDGAFQWSA-N 1 2 331.376 0.117 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC[N@@H+]1CCO ZINC000331350663 267236421 /nfs/dbraw/zinc/23/64/21/267236421.db2.gz YMVXAQCMNNZQSY-LBPRGKRZSA-N 1 2 341.408 0.526 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC[N@H+]1CCO ZINC000331350663 267236424 /nfs/dbraw/zinc/23/64/24/267236424.db2.gz YMVXAQCMNNZQSY-LBPRGKRZSA-N 1 2 341.408 0.526 20 30 ECEDLO Cc1cc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)ccc1C#N ZINC000330374604 267355298 /nfs/dbraw/zinc/35/52/98/267355298.db2.gz NBDNEZKNYVILDE-UHFFFAOYSA-N 1 2 337.445 0.944 20 30 ECEDLO N#Cc1ccc(N2CC[NH+]([C@H]3CC(=O)N(C4CC4)C3=O)CC2)nc1 ZINC000345618618 268119917 /nfs/dbraw/zinc/11/99/17/268119917.db2.gz LLCPBOKDYANHQV-AWEZNQCLSA-N 1 2 325.372 0.365 20 30 ECEDLO N#Cc1cccc(C(=O)N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)c1 ZINC000371809614 268236236 /nfs/dbraw/zinc/23/62/36/268236236.db2.gz DZQPDQPSYFZCMK-MRXNPFEDSA-N 1 2 326.400 0.985 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000372470769 268275133 /nfs/dbraw/zinc/27/51/33/268275133.db2.gz CHCLPTAICBRTQW-AWEZNQCLSA-N 1 2 331.401 0.870 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000372470769 268275135 /nfs/dbraw/zinc/27/51/35/268275135.db2.gz CHCLPTAICBRTQW-AWEZNQCLSA-N 1 2 331.401 0.870 20 30 ECEDLO N#Cc1ccnc(N2CC[NH+](Cc3cc(=O)n4nccc4[nH]3)CC2)c1 ZINC000354477264 268293686 /nfs/dbraw/zinc/29/36/86/268293686.db2.gz LCPKHRBXPDIUST-UHFFFAOYSA-N 1 2 335.371 0.611 20 30 ECEDLO C=C[C@H](CO)NC(=O)N[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000359473937 277911469 /nfs/dbraw/zinc/91/14/69/277911469.db2.gz FTIYORVNCCRTSF-FFSVYQOJSA-N 1 2 347.419 0.461 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H]3CCOC(=O)[C@H]32)CC1 ZINC000363746934 280134388 /nfs/dbraw/zinc/13/43/88/280134388.db2.gz RBXOEHZWCOUHEH-VYDXJSESSA-N 1 2 348.447 0.316 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H]3CCOC(=O)[C@H]32)CC1 ZINC000363746934 280134391 /nfs/dbraw/zinc/13/43/91/280134391.db2.gz RBXOEHZWCOUHEH-VYDXJSESSA-N 1 2 348.447 0.316 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330783850 437614196 /nfs/dbraw/zinc/61/41/96/437614196.db2.gz JABFFINACWLCQD-WMLDXEAASA-N 1 2 332.452 0.970 20 30 ECEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)CCCCC1 ZINC000330801530 437619139 /nfs/dbraw/zinc/61/91/39/437619139.db2.gz ZTMJIBYESOJONY-GFCCVEGCSA-N 1 2 328.438 0.082 20 30 ECEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)CCCCC1 ZINC000330801530 437619142 /nfs/dbraw/zinc/61/91/42/437619142.db2.gz ZTMJIBYESOJONY-GFCCVEGCSA-N 1 2 328.438 0.082 20 30 ECEDLO CC(=O)NCc1ccc(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)cc1 ZINC000330816164 437622111 /nfs/dbraw/zinc/62/21/11/437622111.db2.gz GDGQLSMRMQSRMU-INIZCTEOSA-N 1 2 333.436 0.894 20 30 ECEDLO CC(=O)NCc1ccc(NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)cc1 ZINC000330816164 437622117 /nfs/dbraw/zinc/62/21/17/437622117.db2.gz GDGQLSMRMQSRMU-INIZCTEOSA-N 1 2 333.436 0.894 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN([C@H](C(=O)OC)c2ccccc2F)CC1 ZINC000072558421 436049743 /nfs/dbraw/zinc/04/97/43/436049743.db2.gz OLLJUMLAYWUEKJ-KRWDZBQOSA-N 1 2 349.406 0.960 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2sc(C)cc2OC)CC1 ZINC000072804102 436057757 /nfs/dbraw/zinc/05/77/57/436057757.db2.gz BGJOQUYWSZAHDC-UHFFFAOYSA-N 1 2 349.456 0.962 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2sc(C)cc2OC)CC1 ZINC000072804102 436057762 /nfs/dbraw/zinc/05/77/62/436057762.db2.gz BGJOQUYWSZAHDC-UHFFFAOYSA-N 1 2 349.456 0.962 20 30 ECEDLO C#CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000073028283 436067438 /nfs/dbraw/zinc/06/74/38/436067438.db2.gz AGYMAKILYFBFBJ-CABCVRRESA-N 1 2 326.462 0.900 20 30 ECEDLO C#CCCNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000073085414 436067967 /nfs/dbraw/zinc/06/79/67/436067967.db2.gz NWAIIAHURIGSIF-UHFFFAOYSA-N 1 2 342.443 0.902 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN([C@H](C)C(=O)Nc2cc(C)no2)CC1 ZINC000022969372 436123136 /nfs/dbraw/zinc/12/31/36/436123136.db2.gz IKAWCXIMEWZKDP-CYBMUJFWSA-N 1 2 335.408 0.230 20 30 ECEDLO C#CC[NH+](CC#C)CC(=O)NCc1c(OC)cc(OC)cc1OC ZINC000076185433 436194489 /nfs/dbraw/zinc/19/44/89/436194489.db2.gz ITUNQNFXHXBBDJ-UHFFFAOYSA-N 1 2 330.384 0.897 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CC(=O)N(C)[C@H](C)CC(C)C)CC1 ZINC000076800360 436215459 /nfs/dbraw/zinc/21/54/59/436215459.db2.gz BBVOIPJCHPIYQD-MRXNPFEDSA-N 1 2 338.496 0.799 20 30 ECEDLO CCNC(=O)CN1CC[NH+](CCOc2ccc(C#N)cc2OC)CC1 ZINC000077250389 436228798 /nfs/dbraw/zinc/22/87/98/436228798.db2.gz XWVYQKLEDXWFDP-UHFFFAOYSA-N 1 2 346.431 0.699 20 30 ECEDLO CNC(=O)NC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000078269185 436263371 /nfs/dbraw/zinc/26/33/71/436263371.db2.gz DFXABTRKLQWEHD-UKRRQHHQSA-N 1 2 329.404 0.713 20 30 ECEDLO NC(CN1CCOCC1)=[NH+]OCC(=O)N1CCCc2ccccc21 ZINC000078640079 436272508 /nfs/dbraw/zinc/27/25/08/436272508.db2.gz MJRAWGCJCQFNMQ-UHFFFAOYSA-N 1 2 332.404 0.587 20 30 ECEDLO CN(C)C(=O)N1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000078651567 436274798 /nfs/dbraw/zinc/27/47/98/436274798.db2.gz SNHYBWLYDWMLJL-HNNXBMFYSA-N 1 2 332.404 0.597 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+]([C@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000045606830 436370808 /nfs/dbraw/zinc/37/08/08/436370808.db2.gz VTBDITDORZGAAV-SFHVURJKSA-N 1 2 344.459 0.736 20 30 ECEDLO C[C@@H]1C[NH+](C(C)(C)CNS(=O)(=O)N(C)CCC#N)C[C@@H](C)O1 ZINC000045799465 436377584 /nfs/dbraw/zinc/37/75/84/436377584.db2.gz KVLDKIARCCBKPM-CHWSQXEVSA-N 1 2 332.470 0.554 20 30 ECEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000088523644 436401681 /nfs/dbraw/zinc/40/16/81/436401681.db2.gz ZAIHEERTKDIMQC-QGZVFWFLSA-N 1 2 328.416 0.728 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CC[S@@](=O)c2ccccc2)CC1 ZINC000104663967 436560923 /nfs/dbraw/zinc/56/09/23/436560923.db2.gz BENREBVRTXVHBM-QHCPKHFHSA-N 1 2 335.473 0.714 20 30 ECEDLO Cc1nn(C)c(C)c1C[NH+]1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000105865770 436580963 /nfs/dbraw/zinc/58/09/63/436580963.db2.gz KKUTYXXPJAPLCS-INIZCTEOSA-N 1 2 346.479 0.915 20 30 ECEDLO Cc1nn(C)c(C)c1CN1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000105865770 436580966 /nfs/dbraw/zinc/58/09/66/436580966.db2.gz KKUTYXXPJAPLCS-INIZCTEOSA-N 1 2 346.479 0.915 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)CN1CCN(Cc2[nH+]ccn2C)CC1 ZINC000105931162 436588289 /nfs/dbraw/zinc/58/82/89/436588289.db2.gz JEGIMNPAFULORU-KRWDZBQOSA-N 1 2 332.452 0.592 20 30 ECEDLO Cn1cc[nH+]c1CN1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000106233322 436590262 /nfs/dbraw/zinc/59/02/62/436590262.db2.gz KSKUXLXUAWMNEF-UHFFFAOYSA-N 1 2 345.428 0.798 20 30 ECEDLO N#C[C@@H]1CN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CCO1 ZINC000106331979 436591594 /nfs/dbraw/zinc/59/15/94/436591594.db2.gz GNJLLEUNURSOJR-IAGOWNOFSA-N 1 2 344.415 0.994 20 30 ECEDLO C[C@@H]1Cc2ccccc2N1C(=O)CO[NH+]=C(N)CN1CCOCC1 ZINC000111182296 436630139 /nfs/dbraw/zinc/63/01/39/436630139.db2.gz SMFQEAIZWLCGSP-CYBMUJFWSA-N 1 2 332.404 0.585 20 30 ECEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(S(=O)(=O)CCCC#N)CC1 ZINC000115580797 436647918 /nfs/dbraw/zinc/64/79/18/436647918.db2.gz HKVCMYCRCYCQPR-UHFFFAOYSA-N 1 2 339.465 0.788 20 30 ECEDLO COC(=O)C1(O)CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000271414284 436687267 /nfs/dbraw/zinc/68/72/67/436687267.db2.gz OAHAKMGNPUFZIG-HNNXBMFYSA-N 1 2 343.383 0.663 20 30 ECEDLO C=CCNC(=O)CNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000272064192 436702630 /nfs/dbraw/zinc/70/26/30/436702630.db2.gz PVMLQJZJLCQHND-UHFFFAOYSA-N 1 2 333.392 0.020 20 30 ECEDLO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000118115893 436662520 /nfs/dbraw/zinc/66/25/20/436662520.db2.gz HGWPBSPNAXLVLE-OAHLLOKOSA-N 1 2 344.415 0.873 20 30 ECEDLO C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000118115893 436662521 /nfs/dbraw/zinc/66/25/21/436662521.db2.gz HGWPBSPNAXLVLE-OAHLLOKOSA-N 1 2 344.415 0.873 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC000138978802 436663123 /nfs/dbraw/zinc/66/31/23/436663123.db2.gz SDBMNMPRTMPRFG-UHFFFAOYSA-N 1 2 345.403 0.241 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC000138978802 436663127 /nfs/dbraw/zinc/66/31/27/436663127.db2.gz SDBMNMPRTMPRFG-UHFFFAOYSA-N 1 2 345.403 0.241 20 30 ECEDLO C=CC[N@@H+](C[C@@H]1CC(C(=O)OC)=C(C)O1)[C@H]1CCS(=O)(=O)C1 ZINC000270464399 436673400 /nfs/dbraw/zinc/67/34/00/436673400.db2.gz PMDGSNGTJSVNCZ-STQMWFEESA-N 1 2 329.418 0.897 20 30 ECEDLO C=CC[N@H+](C[C@@H]1CC(C(=O)OC)=C(C)O1)[C@H]1CCS(=O)(=O)C1 ZINC000270464399 436673402 /nfs/dbraw/zinc/67/34/02/436673402.db2.gz PMDGSNGTJSVNCZ-STQMWFEESA-N 1 2 329.418 0.897 20 30 ECEDLO C#CCCC[NH+]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000270988904 436677970 /nfs/dbraw/zinc/67/79/70/436677970.db2.gz DNFKOJIMKPOXLY-UHFFFAOYSA-N 1 2 348.428 0.576 20 30 ECEDLO Cn1ncc2c1nc(N1CCN(c3ccc(C#N)cn3)CC1)[nH+]c2N ZINC000195210847 436682129 /nfs/dbraw/zinc/68/21/29/436682129.db2.gz IMQOWGHKYSALEB-UHFFFAOYSA-N 1 2 335.375 0.539 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc3ccccn3c2)CC1 ZINC000120302920 436684707 /nfs/dbraw/zinc/68/47/07/436684707.db2.gz YOWRHIIJKJYEIB-UHFFFAOYSA-N 1 2 338.411 0.837 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc3ccccn3c2)CC1 ZINC000120302920 436684711 /nfs/dbraw/zinc/68/47/11/436684711.db2.gz YOWRHIIJKJYEIB-UHFFFAOYSA-N 1 2 338.411 0.837 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000272863043 436723177 /nfs/dbraw/zinc/72/31/77/436723177.db2.gz QCTGFFYFKZRHEF-LBPRGKRZSA-N 1 2 326.422 0.900 20 30 ECEDLO C=CCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000122726718 436737435 /nfs/dbraw/zinc/73/74/35/436737435.db2.gz XCPJQDLSOVAJSQ-CQSZACIVSA-N 1 2 342.465 0.362 20 30 ECEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000152900430 436743024 /nfs/dbraw/zinc/74/30/24/436743024.db2.gz WFDLIWNWJAUHER-HOTGVXAUSA-N 1 2 344.415 0.337 20 30 ECEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000152900430 436743028 /nfs/dbraw/zinc/74/30/28/436743028.db2.gz WFDLIWNWJAUHER-HOTGVXAUSA-N 1 2 344.415 0.337 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)Nc3ccon3)CC2)cc1 ZINC000273341260 436746879 /nfs/dbraw/zinc/74/68/79/436746879.db2.gz VXUQCGZMYIFVKA-UHFFFAOYSA-N 1 2 339.355 0.829 20 30 ECEDLO C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000273359870 436749884 /nfs/dbraw/zinc/74/98/84/436749884.db2.gz AHZHSLGQEDWLTB-HNNXBMFYSA-N 1 2 347.415 0.511 20 30 ECEDLO CCN(C)C(=O)CON=C(N)c1cccc(C[NH+]2CCOCC2)c1 ZINC000273410286 436752588 /nfs/dbraw/zinc/75/25/88/436752588.db2.gz CNCGNOIZOGQSNA-UHFFFAOYSA-N 1 2 334.420 0.634 20 30 ECEDLO N#CCCCCS(=O)(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000068898331 436757419 /nfs/dbraw/zinc/75/74/19/436757419.db2.gz AOAHVTSEBKKZML-CQSZACIVSA-N 1 2 347.506 0.808 20 30 ECEDLO CCNC(=O)N1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000153799476 436763537 /nfs/dbraw/zinc/76/35/37/436763537.db2.gz YNBGJRZYXBHSBZ-INIZCTEOSA-N 1 2 346.431 0.839 20 30 ECEDLO C=C[C@@H](C)NC(=O)N1CC[NH+]([C@@H](C)C(=O)NCCCOC)CC1 ZINC000128215089 436813050 /nfs/dbraw/zinc/81/30/50/436813050.db2.gz SSVAVWJPJZZDCZ-KGLIPLIRSA-N 1 2 326.441 0.429 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(F)cc1C#N)[C@H]1C[N@H+](C)CCO1 ZINC000128241981 436813907 /nfs/dbraw/zinc/81/39/07/436813907.db2.gz BTJSYPHKVCBYKP-ZWNOBZJWSA-N 1 2 327.381 0.695 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(F)cc1C#N)[C@H]1C[N@@H+](C)CCO1 ZINC000128241981 436813910 /nfs/dbraw/zinc/81/39/10/436813910.db2.gz BTJSYPHKVCBYKP-ZWNOBZJWSA-N 1 2 327.381 0.695 20 30 ECEDLO COCC[N@H+](CCO)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000156337812 436815123 /nfs/dbraw/zinc/81/51/23/436815123.db2.gz KMAFIQDYQFSJPL-UHFFFAOYSA-N 1 2 343.387 0.623 20 30 ECEDLO COCC[N@@H+](CCO)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000156337812 436815124 /nfs/dbraw/zinc/81/51/24/436815124.db2.gz KMAFIQDYQFSJPL-UHFFFAOYSA-N 1 2 343.387 0.623 20 30 ECEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000249197579 436818138 /nfs/dbraw/zinc/81/81/38/436818138.db2.gz QJRNSEJOXKMMCD-KBPBESRZSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000249197579 436818140 /nfs/dbraw/zinc/81/81/40/436818140.db2.gz QJRNSEJOXKMMCD-KBPBESRZSA-N 1 2 337.445 0.942 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000128618352 436819142 /nfs/dbraw/zinc/81/91/42/436819142.db2.gz WNHBDKMEAFPEEY-CQSZACIVSA-N 1 2 325.416 0.818 20 30 ECEDLO C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCO[C@@H](C#N)C1 ZINC000246724011 436784502 /nfs/dbraw/zinc/78/45/02/436784502.db2.gz VJJUFBKUEFAJTC-CABCVRRESA-N 1 2 329.404 0.343 20 30 ECEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2cc(C#N)cn2C)CC1 ZINC000154822429 436785842 /nfs/dbraw/zinc/78/58/42/436785842.db2.gz WHFJPTVESGEISA-AWEZNQCLSA-N 1 2 343.431 0.665 20 30 ECEDLO C=CCCOCCNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000127257166 436799377 /nfs/dbraw/zinc/79/93/77/436799377.db2.gz NMSIMWKOQLVLMO-UHFFFAOYSA-N 1 2 338.452 0.529 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000248461275 436804131 /nfs/dbraw/zinc/80/41/31/436804131.db2.gz XGIVMKFWUDXBFN-DZGCQCFKSA-N 1 2 341.477 0.451 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000248461275 436804133 /nfs/dbraw/zinc/80/41/33/436804133.db2.gz XGIVMKFWUDXBFN-DZGCQCFKSA-N 1 2 341.477 0.451 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000130748908 436843693 /nfs/dbraw/zinc/84/36/93/436843693.db2.gz BNHWMDNKKOJPSM-AWEZNQCLSA-N 1 2 337.807 0.977 20 30 ECEDLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2ccc(C#N)s2)CC1 ZINC000131624636 436855764 /nfs/dbraw/zinc/85/57/64/436855764.db2.gz TZRABRJHIQOVNK-AWEZNQCLSA-N 1 2 348.472 0.985 20 30 ECEDLO C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000131624636 436855766 /nfs/dbraw/zinc/85/57/66/436855766.db2.gz TZRABRJHIQOVNK-AWEZNQCLSA-N 1 2 348.472 0.985 20 30 ECEDLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000274686151 436860342 /nfs/dbraw/zinc/86/03/42/436860342.db2.gz OZFLZHNURZTWNB-LBPRGKRZSA-N 1 2 342.852 0.736 20 30 ECEDLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000274686151 436860345 /nfs/dbraw/zinc/86/03/45/436860345.db2.gz OZFLZHNURZTWNB-LBPRGKRZSA-N 1 2 342.852 0.736 20 30 ECEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000293350374 436868517 /nfs/dbraw/zinc/86/85/17/436868517.db2.gz GYMXZUQUQFHNRR-HNNXBMFYSA-N 1 2 341.371 0.861 20 30 ECEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000293350374 436868522 /nfs/dbraw/zinc/86/85/22/436868522.db2.gz GYMXZUQUQFHNRR-HNNXBMFYSA-N 1 2 341.371 0.861 20 30 ECEDLO N#CCCN(CCC#N)C(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161164623 436886457 /nfs/dbraw/zinc/88/64/57/436886457.db2.gz ICFKCRFRMDLOKS-UHFFFAOYSA-N 1 2 340.431 0.855 20 30 ECEDLO N#CCCOCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000293573645 436889926 /nfs/dbraw/zinc/88/99/26/436889926.db2.gz SUWJAEWQWAWYNS-UHFFFAOYSA-N 1 2 348.428 0.795 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2c(Br)cnn2C)CC1 ZINC000294878224 436962067 /nfs/dbraw/zinc/96/20/67/436962067.db2.gz PWFLCPWDOBROPI-UHFFFAOYSA-N 1 2 325.210 0.964 20 30 ECEDLO NC(CCO)=[NH+]OCC(=O)NCCOc1ccc(C(F)(F)F)cc1 ZINC000275421346 436967657 /nfs/dbraw/zinc/96/76/57/436967657.db2.gz FAACZFYCMNLRDZ-UHFFFAOYSA-N 1 2 349.309 0.872 20 30 ECEDLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000275523730 436978806 /nfs/dbraw/zinc/97/88/06/436978806.db2.gz JIVBIKYSTBFEGQ-GDBMZVCRSA-N 1 2 331.372 0.885 20 30 ECEDLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000275523730 436978808 /nfs/dbraw/zinc/97/88/08/436978808.db2.gz JIVBIKYSTBFEGQ-GDBMZVCRSA-N 1 2 331.372 0.885 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000170654159 436947571 /nfs/dbraw/zinc/94/75/71/436947571.db2.gz NMLVOVYTTRURDM-UHFFFAOYSA-N 1 2 329.385 0.859 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1=O ZINC000281278270 436959587 /nfs/dbraw/zinc/95/95/87/436959587.db2.gz INYIHUBNTDAYSU-CYBMUJFWSA-N 1 2 332.360 0.912 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1=O ZINC000281278270 436959589 /nfs/dbraw/zinc/95/95/89/436959589.db2.gz INYIHUBNTDAYSU-CYBMUJFWSA-N 1 2 332.360 0.912 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc([C@H]3COCCO3)n2CC(=C)C)CC1 ZINC000282931046 437022020 /nfs/dbraw/zinc/02/20/20/437022020.db2.gz LVAPMIPOPLUYGY-OAHLLOKOSA-N 1 2 331.420 0.697 20 30 ECEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)C[C@@H](C)C#N ZINC000275623729 436993300 /nfs/dbraw/zinc/99/33/00/436993300.db2.gz AYVIYXJWFYATCE-LBPRGKRZSA-N 1 2 345.403 0.783 20 30 ECEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)COc1ccccc1C#N ZINC000263937219 437005443 /nfs/dbraw/zinc/00/54/43/437005443.db2.gz OMXAGYIBHXNYBF-ZDUSSCGKSA-N 1 2 328.328 0.561 20 30 ECEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)COc1ccccc1C#N ZINC000263937219 437005448 /nfs/dbraw/zinc/00/54/48/437005448.db2.gz OMXAGYIBHXNYBF-ZDUSSCGKSA-N 1 2 328.328 0.561 20 30 ECEDLO CCn1cc[nH+]c1[C@H]1CCCCN1c1c(C#N)c(=O)n(C)c(=O)n1C ZINC000281920800 437007490 /nfs/dbraw/zinc/00/74/90/437007490.db2.gz GYDZSZXGYJAYPB-CYBMUJFWSA-N 1 2 342.403 0.904 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC[C@H]2CC[C@H](C)O2)CC1 ZINC000173145961 437039726 /nfs/dbraw/zinc/03/97/26/437039726.db2.gz STETUMFNYGOYEO-JKSUJKDBSA-N 1 2 335.448 0.618 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC[C@H]2CC[C@H](C)O2)CC1 ZINC000173145961 437039729 /nfs/dbraw/zinc/03/97/29/437039729.db2.gz STETUMFNYGOYEO-JKSUJKDBSA-N 1 2 335.448 0.618 20 30 ECEDLO C=CCN(C)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000284597337 437054571 /nfs/dbraw/zinc/05/45/71/437054571.db2.gz XFYIUGXUFUMYLH-MRXNPFEDSA-N 1 2 331.416 0.648 20 30 ECEDLO C=CCN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000284597337 437054575 /nfs/dbraw/zinc/05/45/75/437054575.db2.gz XFYIUGXUFUMYLH-MRXNPFEDSA-N 1 2 331.416 0.648 20 30 ECEDLO C=CCCN(C)C(=O)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000284644036 437054976 /nfs/dbraw/zinc/05/49/76/437054976.db2.gz ZUBXENKYRWOMPF-AWEZNQCLSA-N 1 2 346.431 0.957 20 30 ECEDLO CN(C)C(=O)c1cccc(NC(=O)CO[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000284479568 437055487 /nfs/dbraw/zinc/05/54/87/437055487.db2.gz RRKIGFBLTNHYNB-ZDUSSCGKSA-N 1 2 334.376 0.795 20 30 ECEDLO CN(C)S(=O)(=O)CC[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000285372215 437077766 /nfs/dbraw/zinc/07/77/66/437077766.db2.gz CBWBGTWTZITIIF-MRXNPFEDSA-N 1 2 336.461 0.760 20 30 ECEDLO N#Cc1ccc(-c2nnc(CO[NH+]=C(N)CN3CCOCC3)o2)cc1 ZINC000174149861 437075030 /nfs/dbraw/zinc/07/50/30/437075030.db2.gz XBHQDUUCDDRUKG-UHFFFAOYSA-N 1 2 342.359 0.729 20 30 ECEDLO N#Cc1cccc([C@@H]2CN(C[C@H](O)C[NH+]3CCOCC3)CCO2)c1 ZINC000331620452 437131126 /nfs/dbraw/zinc/13/11/26/437131126.db2.gz SCDZWJSHDYUTLH-MSOLQXFVSA-N 1 2 331.416 0.625 20 30 ECEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@H](O)CN3CCOCC3)CCO2)c1 ZINC000331620452 437131130 /nfs/dbraw/zinc/13/11/30/437131130.db2.gz SCDZWJSHDYUTLH-MSOLQXFVSA-N 1 2 331.416 0.625 20 30 ECEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H](O)CN3CCOCC3)CCO2)c1 ZINC000331620452 437131134 /nfs/dbraw/zinc/13/11/34/437131134.db2.gz SCDZWJSHDYUTLH-MSOLQXFVSA-N 1 2 331.416 0.625 20 30 ECEDLO CNC(=O)[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000176239296 437138044 /nfs/dbraw/zinc/13/80/44/437138044.db2.gz CRWFVXOZICHYME-AWEZNQCLSA-N 1 2 335.429 0.790 20 30 ECEDLO CNC(=O)[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000176239296 437138049 /nfs/dbraw/zinc/13/80/49/437138049.db2.gz CRWFVXOZICHYME-AWEZNQCLSA-N 1 2 335.429 0.790 20 30 ECEDLO CC(C)[C@@H](CNS(=O)(=O)c1cccnc1C#N)[NH+]1CCOCC1 ZINC000277038829 437187727 /nfs/dbraw/zinc/18/77/27/437187727.db2.gz OYACPONNAZDYMB-CQSZACIVSA-N 1 2 338.433 0.588 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C/c1cncc(O)c1 ZINC000179465675 437266771 /nfs/dbraw/zinc/26/67/71/437266771.db2.gz PNCVDAZNRGEMKZ-NSCUHMNNSA-N 1 2 330.388 0.875 20 30 ECEDLO Cc1cn(C[C@H](O)C[NH+]2CCOCC2)c(=O)n1-c1ccc(C#N)cc1 ZINC000178816582 437231963 /nfs/dbraw/zinc/23/19/63/437231963.db2.gz YJOLHQCTHOTTFZ-QGZVFWFLSA-N 1 2 342.399 0.512 20 30 ECEDLO C[N@@H+](CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@@H]1CCC[C@@H]1O ZINC000328752798 437258661 /nfs/dbraw/zinc/25/86/61/437258661.db2.gz DATIEKJTJULHHD-TUAOUCFPSA-N 1 2 347.437 0.137 20 30 ECEDLO C[N@H+](CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@@H]1CCC[C@@H]1O ZINC000328752798 437258663 /nfs/dbraw/zinc/25/86/63/437258663.db2.gz DATIEKJTJULHHD-TUAOUCFPSA-N 1 2 347.437 0.137 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCC3([S@](C)=O)CCC3)C[C@H]21 ZINC000328886823 437279466 /nfs/dbraw/zinc/27/94/66/437279466.db2.gz PBOFSSKUCJONPW-VJBOLBCHSA-N 1 2 329.466 0.607 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCC3([S@](C)=O)CCC3)C[C@H]21 ZINC000328886823 437279473 /nfs/dbraw/zinc/27/94/73/437279473.db2.gz PBOFSSKUCJONPW-VJBOLBCHSA-N 1 2 329.466 0.607 20 30 ECEDLO C#CCC(CC#C)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000278756605 437340473 /nfs/dbraw/zinc/34/04/73/437340473.db2.gz VXOWCMBMQSJBKR-UHFFFAOYSA-N 1 2 336.399 0.675 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000329284479 437346827 /nfs/dbraw/zinc/34/68/27/437346827.db2.gz OMVHYBRFGPEBFL-KFWWJZLASA-N 1 2 327.425 0.501 20 30 ECEDLO Cc1oc(NC(=O)C[NH+]2CCC(c3nc(=O)[nH][nH]3)CC2)c(C#N)c1C ZINC000288797760 437356311 /nfs/dbraw/zinc/35/63/11/437356311.db2.gz CVGCFYHDPDJNRL-UHFFFAOYSA-N 1 2 344.375 0.998 20 30 ECEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000337364615 437356662 /nfs/dbraw/zinc/35/66/62/437356662.db2.gz JLIOJFWEZCQMIO-FZKQIMNGSA-N 1 2 347.463 0.080 20 30 ECEDLO C#CCNC(=O)[C@H](C)ON=C(N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181852074 437331190 /nfs/dbraw/zinc/33/11/90/437331190.db2.gz ICDQDMWXPYXWFP-HOCLYGCPSA-N 1 2 344.415 0.314 20 30 ECEDLO C#CCNC(=O)[C@H](C)ON=C(N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181852074 437331195 /nfs/dbraw/zinc/33/11/95/437331195.db2.gz ICDQDMWXPYXWFP-HOCLYGCPSA-N 1 2 344.415 0.314 20 30 ECEDLO CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329207300 437335227 /nfs/dbraw/zinc/33/52/27/437335227.db2.gz FDBPJQFXHQCAEF-XGUBFFRZSA-N 1 2 349.435 0.662 20 30 ECEDLO CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329207300 437335232 /nfs/dbraw/zinc/33/52/32/437335232.db2.gz FDBPJQFXHQCAEF-XGUBFFRZSA-N 1 2 349.435 0.662 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000337157443 437336088 /nfs/dbraw/zinc/33/60/88/437336088.db2.gz PWPACDMUYIDIPN-MELADBBJSA-N 1 2 332.470 0.364 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000337157443 437336091 /nfs/dbraw/zinc/33/60/91/437336091.db2.gz PWPACDMUYIDIPN-MELADBBJSA-N 1 2 332.470 0.364 20 30 ECEDLO Cn1nncc1CON=C(N)c1cccc(C[NH+]2CCOCC2)c1 ZINC000289465603 437414401 /nfs/dbraw/zinc/41/44/01/437414401.db2.gz WLDAIPXWXNMWEV-UHFFFAOYSA-N 1 2 330.392 0.484 20 30 ECEDLO CNC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC(c3ccccc3)=N2)C1 ZINC000329812393 437417192 /nfs/dbraw/zinc/41/71/92/437417192.db2.gz CILPTTZBOYHQOX-AWEZNQCLSA-N 1 2 329.404 0.831 20 30 ECEDLO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC(c3ccccc3)=N2)C1 ZINC000329812393 437417197 /nfs/dbraw/zinc/41/71/97/437417197.db2.gz CILPTTZBOYHQOX-AWEZNQCLSA-N 1 2 329.404 0.831 20 30 ECEDLO 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CCS(=O)(=O)N1CCC([NH+]=C([O-])N2CCn3c[nH+]cc3C2)CC1 ZINC000329637229 437395823 /nfs/dbraw/zinc/39/58/23/437395823.db2.gz YOSZPNFNMRNUOS-UHFFFAOYSA-N 1 2 341.437 0.427 20 30 ECEDLO CC1(C)C[N@H+](CCNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)CCO1 ZINC000290322190 437478589 /nfs/dbraw/zinc/47/85/89/437478589.db2.gz VTUPJLMUQLLPTJ-UHFFFAOYSA-N 1 2 348.378 0.863 20 30 ECEDLO CC1(C)C[N@@H+](CCNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)CCO1 ZINC000290322190 437478592 /nfs/dbraw/zinc/47/85/92/437478592.db2.gz VTUPJLMUQLLPTJ-UHFFFAOYSA-N 1 2 348.378 0.863 20 30 ECEDLO CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000330304485 437481148 /nfs/dbraw/zinc/48/11/48/437481148.db2.gz KJSJKUGLVXPKFU-MELADBBJSA-N 1 2 339.436 0.283 20 30 ECEDLO CCN1CCN(C(=O)NCCc2nc(C)no2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329952032 437436705 /nfs/dbraw/zinc/43/67/05/437436705.db2.gz IOJJTQNQTCVTGJ-GFCCVEGCSA-N 1 2 333.396 0.936 20 30 ECEDLO CS(=O)(=O)C1(CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000330006999 437444309 /nfs/dbraw/zinc/44/43/09/437444309.db2.gz DGRSEEFKSUFBHG-CYBMUJFWSA-N 1 2 345.465 0.132 20 30 ECEDLO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2CCCCS2(=O)=O)CC1 ZINC000330007341 437444791 /nfs/dbraw/zinc/44/47/91/437444791.db2.gz FTSQSTFFHDBGIB-KGLIPLIRSA-N 1 2 331.482 0.936 20 30 ECEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[C@H](N2CCCC2=O)C1 ZINC000330075476 437450596 /nfs/dbraw/zinc/45/05/96/437450596.db2.gz DGDAMDBTALDWQZ-CABCVRRESA-N 1 2 337.468 0.233 20 30 ECEDLO C=CCOc1ccccc1CNC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000339688338 437495658 /nfs/dbraw/zinc/49/56/58/437495658.db2.gz SUCYDVAHGCSUQR-UHFFFAOYSA-N 1 2 328.372 0.881 20 30 ECEDLO C=CCN(C)C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000339714791 437501384 /nfs/dbraw/zinc/50/13/84/437501384.db2.gz GMRKTKRWNOMTPC-UHFFFAOYSA-N 1 2 331.416 0.779 20 30 ECEDLO CC#CC[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000339756443 437503733 /nfs/dbraw/zinc/50/37/33/437503733.db2.gz FBZPSJXYKVZEKX-UHFFFAOYSA-N 1 2 329.809 0.881 20 30 ECEDLO CC#CC[N@@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000339756443 437503737 /nfs/dbraw/zinc/50/37/37/437503737.db2.gz FBZPSJXYKVZEKX-UHFFFAOYSA-N 1 2 329.809 0.881 20 30 ECEDLO CNS(=O)(=O)c1cc(C(=O)N[C@H](C)C[NH+]2CCOCC2)co1 ZINC000330436705 437510103 /nfs/dbraw/zinc/51/01/03/437510103.db2.gz BCUZEKFEPCQYJQ-SNVBAGLBSA-N 1 2 331.394 0.213 20 30 ECEDLO C[C@H](CNC(=O)c1coc(S(=O)(=O)N(C)C)c1)[NH+]1CCOCC1 ZINC000330441027 437514172 /nfs/dbraw/zinc/51/41/72/437514172.db2.gz DINMEEVELXTSOV-LLVKDONJSA-N 1 2 345.421 0.555 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000330462462 437520074 /nfs/dbraw/zinc/52/00/74/437520074.db2.gz YRYDXJDMHJYWQT-UKRRQHHQSA-N 1 2 344.481 0.302 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000330462462 437520078 /nfs/dbraw/zinc/52/00/78/437520078.db2.gz YRYDXJDMHJYWQT-UKRRQHHQSA-N 1 2 344.481 0.302 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C1CN(CC(F)(F)F)C1 ZINC000354086733 437524635 /nfs/dbraw/zinc/52/46/35/437524635.db2.gz SXEJRHQLDIPTDE-UHFFFAOYSA-N 1 2 348.369 0.555 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cnc(C2CC2)nc1N ZINC000354084632 437524736 /nfs/dbraw/zinc/52/47/36/437524736.db2.gz FDRIKTYMAHFLEP-UHFFFAOYSA-N 1 2 344.419 0.624 20 30 ECEDLO CS(=O)(=O)NC[C@H]1CCCN(C([O-])=[NH+]CCn2cc[nH+]c2)C1 ZINC000330481415 437527067 /nfs/dbraw/zinc/52/70/67/437527067.db2.gz UNBCFLIYEZMIBQ-GFCCVEGCSA-N 1 2 329.426 0.058 20 30 ECEDLO CS(=O)(=O)NC[C@H]1CCCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000330481415 437527072 /nfs/dbraw/zinc/52/70/72/437527072.db2.gz UNBCFLIYEZMIBQ-GFCCVEGCSA-N 1 2 329.426 0.058 20 30 ECEDLO Cc1ccn(C)c(=O)c1NC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000330356050 437489438 /nfs/dbraw/zinc/48/94/38/437489438.db2.gz RFYHGBVAYOEZFE-ZDUSSCGKSA-N 1 2 344.419 0.961 20 30 ECEDLO CC(C)CNC(=O)NC(=O)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000330591821 437560019 /nfs/dbraw/zinc/56/00/19/437560019.db2.gz VQSOADXMLQITBC-RRFJBIMHSA-N 1 2 341.452 0.925 20 30 ECEDLO CC(C)CNC(=O)NC(=O)C[N@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000330591821 437560022 /nfs/dbraw/zinc/56/00/22/437560022.db2.gz VQSOADXMLQITBC-RRFJBIMHSA-N 1 2 341.452 0.925 20 30 ECEDLO N#CCSc1cccc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000340065174 437562588 /nfs/dbraw/zinc/56/25/88/437562588.db2.gz XARIGCLQHSPOKZ-AWEZNQCLSA-N 1 2 335.429 0.725 20 30 ECEDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000330638747 437574701 /nfs/dbraw/zinc/57/47/01/437574701.db2.gz WCKUDSNRTDURAA-GZBFAFLISA-N 1 2 344.481 0.443 20 30 ECEDLO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000330638747 437574705 /nfs/dbraw/zinc/57/47/05/437574705.db2.gz WCKUDSNRTDURAA-GZBFAFLISA-N 1 2 344.481 0.443 20 30 ECEDLO CC#CCNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000190518686 437628592 /nfs/dbraw/zinc/62/85/92/437628592.db2.gz IYFBSEZBPMRWSS-UHFFFAOYSA-N 1 2 342.443 0.902 20 30 ECEDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000330957846 437658338 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C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000369663568 438502414 /nfs/dbraw/zinc/50/24/14/438502414.db2.gz JOXUMTDHZTXABN-IIAWOOMASA-N 1 2 339.436 0.002 20 30 ECEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000369663568 438502419 /nfs/dbraw/zinc/50/24/19/438502419.db2.gz JOXUMTDHZTXABN-IIAWOOMASA-N 1 2 339.436 0.002 20 30 ECEDLO N#CCNC(=O)CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000353252077 438503332 /nfs/dbraw/zinc/50/33/32/438503332.db2.gz HFDQSHQPDHEVPY-UHFFFAOYSA-N 1 2 336.421 0.890 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)COC2CCC(C)CC2)CC1 ZINC000369795663 438517050 /nfs/dbraw/zinc/51/70/50/438517050.db2.gz KSCSITNXYSBRMZ-UHFFFAOYSA-N 1 2 349.475 0.865 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)COC2CCC(C)CC2)CC1 ZINC000369795663 438517053 /nfs/dbraw/zinc/51/70/53/438517053.db2.gz KSCSITNXYSBRMZ-UHFFFAOYSA-N 1 2 349.475 0.865 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000353777595 438534455 /nfs/dbraw/zinc/53/44/55/438534455.db2.gz LBTHYTZDDPWCHN-SFHVURJKSA-N 1 2 346.431 0.564 20 30 ECEDLO CCN1CCN(C(=O)C(=O)NCC(C)(C)CC#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000422483149 438577991 /nfs/dbraw/zinc/57/79/91/438577991.db2.gz VNZURZZMGKTLKE-CYBMUJFWSA-N 1 2 346.435 0.671 20 30 ECEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCC(C)(C)CC#N ZINC000422487964 438579394 /nfs/dbraw/zinc/57/93/94/438579394.db2.gz LNRGPEXYDQMGOY-UHFFFAOYSA-N 1 2 338.452 0.612 20 30 ECEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCC(C)(C)CC#N ZINC000422487964 438579396 /nfs/dbraw/zinc/57/93/96/438579396.db2.gz LNRGPEXYDQMGOY-UHFFFAOYSA-N 1 2 338.452 0.612 20 30 ECEDLO COC(=O)[C@@H](O)C1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000441268514 438581014 /nfs/dbraw/zinc/58/10/14/438581014.db2.gz RAWMNSKSOOMCQJ-INIZCTEOSA-N 1 2 331.372 0.743 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@H]1C(=O)NCC(F)F ZINC000451799201 438605156 /nfs/dbraw/zinc/60/51/56/438605156.db2.gz VYGRZGBSKXEUFY-LBPRGKRZSA-N 1 2 330.379 0.984 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1C(=O)NCC(F)F ZINC000451799201 438605157 /nfs/dbraw/zinc/60/51/57/438605157.db2.gz VYGRZGBSKXEUFY-LBPRGKRZSA-N 1 2 330.379 0.984 20 30 ECEDLO Cc1cccc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c1C#N ZINC000451892837 438614527 /nfs/dbraw/zinc/61/45/27/438614527.db2.gz RKHBCPGPZQNTMH-OKILXGFUSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c1C#N ZINC000451892837 438614530 /nfs/dbraw/zinc/61/45/30/438614530.db2.gz RKHBCPGPZQNTMH-OKILXGFUSA-N 1 2 337.445 0.942 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000493564438 438633671 /nfs/dbraw/zinc/63/36/71/438633671.db2.gz IIKCPWACHAZARB-LLVKDONJSA-N 1 2 326.397 0.597 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000493564438 438633673 /nfs/dbraw/zinc/63/36/73/438633673.db2.gz IIKCPWACHAZARB-LLVKDONJSA-N 1 2 326.397 0.597 20 30 ECEDLO N#CCN1CCN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC1 ZINC000442989768 438634192 /nfs/dbraw/zinc/63/41/92/438634192.db2.gz PHZYSFNZPHPSSV-UHFFFAOYSA-N 1 2 345.428 0.761 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000452102648 438640909 /nfs/dbraw/zinc/64/09/09/438640909.db2.gz IQDQKOKBTKYECQ-GFCCVEGCSA-N 1 2 341.408 0.526 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000452102648 438640911 /nfs/dbraw/zinc/64/09/11/438640911.db2.gz IQDQKOKBTKYECQ-GFCCVEGCSA-N 1 2 341.408 0.526 20 30 ECEDLO N#CCCn1ccc(NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000446698355 438671681 /nfs/dbraw/zinc/67/16/81/438671681.db2.gz UHFHHTYBMJHDHN-UHFFFAOYSA-N 1 2 349.354 1.560 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@]3(CC[N@H+](Cc4cnon4)C3)C2)nn1 ZINC001041729811 782071216 /nfs/dbraw/zinc/07/12/16/782071216.db2.gz XANFLQQVIJGRHH-INIZCTEOSA-N 1 2 343.391 0.585 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@]3(CC[N@@H+](Cc4cnon4)C3)C2)nn1 ZINC001041729811 782071227 /nfs/dbraw/zinc/07/12/27/782071227.db2.gz XANFLQQVIJGRHH-INIZCTEOSA-N 1 2 343.391 0.585 20 30 ECEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1cccc(C#N)n1 ZINC000576106199 438769178 /nfs/dbraw/zinc/76/91/78/438769178.db2.gz PWFDRXXOCFZHBM-UHFFFAOYSA-N 1 2 345.403 0.461 20 30 ECEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1cccc(C#N)n1 ZINC000576106199 438769181 /nfs/dbraw/zinc/76/91/81/438769181.db2.gz PWFDRXXOCFZHBM-UHFFFAOYSA-N 1 2 345.403 0.461 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cn1cc(C(N)=O)c2ccccc21 ZINC000514676684 438824852 /nfs/dbraw/zinc/82/48/52/438824852.db2.gz ZECDTBJBJIRMDS-KRWDZBQOSA-N 1 2 327.388 0.700 20 30 ECEDLO CC1(O)CCN(c2cc(N3CCN(CCC#N)CC3)nc[nH+]2)CC1 ZINC000601261570 438834713 /nfs/dbraw/zinc/83/47/13/438834713.db2.gz KQQQTNGUBZWJHZ-UHFFFAOYSA-N 1 2 330.436 0.863 20 30 ECEDLO C[C@H]1NC(=O)N(CC[NH+]2CCN(c3ccsc3C#N)CC2)C1=O ZINC000595630359 438836080 /nfs/dbraw/zinc/83/60/80/438836080.db2.gz VLZMSVXMLJYJGR-LLVKDONJSA-N 1 2 333.417 0.682 20 30 ECEDLO C=CC[C@H]1CCC[N@H+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000595659066 438841198 /nfs/dbraw/zinc/84/11/98/438841198.db2.gz JEGQJSBLLOLDKR-QWHCGFSZSA-N 1 2 343.449 0.287 20 30 ECEDLO C=CC[C@H]1CCC[N@@H+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000595659066 438841200 /nfs/dbraw/zinc/84/12/00/438841200.db2.gz JEGQJSBLLOLDKR-QWHCGFSZSA-N 1 2 343.449 0.287 20 30 ECEDLO CC1(C)[C@H](NS(=O)(=O)CC2(C#N)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000601451779 438900215 /nfs/dbraw/zinc/90/02/15/438900215.db2.gz AKKCJIFDEICGEX-CHWSQXEVSA-N 1 2 327.450 0.709 20 30 ECEDLO C[N@@H+]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)[C@@H](CO)C1 ZINC000601468328 438905892 /nfs/dbraw/zinc/90/58/92/438905892.db2.gz AVXXHCZMVQLSNO-CYBMUJFWSA-N 1 2 327.381 0.135 20 30 ECEDLO C[N@H+]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)[C@@H](CO)C1 ZINC000601468328 438905894 /nfs/dbraw/zinc/90/58/94/438905894.db2.gz AVXXHCZMVQLSNO-CYBMUJFWSA-N 1 2 327.381 0.135 20 30 ECEDLO C[C@]1(C#N)CC[N@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000595834746 438868258 /nfs/dbraw/zinc/86/82/58/438868258.db2.gz LONNMPUOXOPHRS-QGZVFWFLSA-N 1 2 330.388 0.800 20 30 ECEDLO C[C@]1(C#N)CC[N@@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000595834746 438868261 /nfs/dbraw/zinc/86/82/61/438868261.db2.gz LONNMPUOXOPHRS-QGZVFWFLSA-N 1 2 330.388 0.800 20 30 ECEDLO N#CCc1ccccc1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000601389550 438872481 /nfs/dbraw/zinc/87/24/81/438872481.db2.gz ATBYLSBDRCGQDZ-HZPDHXFCSA-N 1 2 349.456 0.972 20 30 ECEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@](F)(C#N)C1 ZINC000589492525 438873586 /nfs/dbraw/zinc/87/35/86/438873586.db2.gz SHXFWNBRJOCCND-CZUORRHYSA-N 1 2 335.383 0.947 20 30 ECEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@](F)(C#N)C1 ZINC000589492525 438873591 /nfs/dbraw/zinc/87/35/91/438873591.db2.gz SHXFWNBRJOCCND-CZUORRHYSA-N 1 2 335.383 0.947 20 30 ECEDLO CCc1nc(C#N)cc(N2CC[NH+](CC(=O)N(CC)CC)CC2)n1 ZINC000596059920 438920944 /nfs/dbraw/zinc/92/09/44/438920944.db2.gz DATORZBFTNDWKJ-UHFFFAOYSA-N 1 2 330.436 0.901 20 30 ECEDLO CCc1nc(C#N)cc(Nc2cnn(CC[NH+]3CCOCC3)c2)n1 ZINC000596112240 438927185 /nfs/dbraw/zinc/92/71/85/438927185.db2.gz KWCBPMKTLAIOBO-UHFFFAOYSA-N 1 2 327.392 1.183 20 30 ECEDLO N#Cc1nccc(N2CC[NH+](CC(=O)NC3CCCCC3)CC2)n1 ZINC000565220097 438931788 /nfs/dbraw/zinc/93/17/88/438931788.db2.gz BDAQRHQSLOYYOY-UHFFFAOYSA-N 1 2 328.420 0.919 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000459274205 438953551 /nfs/dbraw/zinc/95/35/51/438953551.db2.gz AMHBDTQWVMULJJ-UHFFFAOYSA-N 1 2 331.420 0.479 20 30 ECEDLO C[C@H]1NC(=O)N(CC[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)C1=O ZINC000459313118 438958487 /nfs/dbraw/zinc/95/84/87/438958487.db2.gz OQPYBIKVLUVHGM-CQSZACIVSA-N 1 2 341.415 0.616 20 30 ECEDLO C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000590816377 438961413 /nfs/dbraw/zinc/96/14/13/438961413.db2.gz QNBXFDYVVQTSMX-GFCCVEGCSA-N 1 2 345.359 0.023 20 30 ECEDLO CC1(C)C[C@@]1(C#N)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000565985808 438992577 /nfs/dbraw/zinc/99/25/77/438992577.db2.gz WZLWHXPROUIZRV-KSSFIOAISA-N 1 2 348.447 0.508 20 30 ECEDLO N#CCCn1ccc(NC(=O)N(CC[NH+]2CCOCC2)CC2CC2)n1 ZINC000596750513 438995067 /nfs/dbraw/zinc/99/50/67/438995067.db2.gz UKRRMZMJIFUWLE-UHFFFAOYSA-N 1 2 346.435 1.373 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ncnc2[nH]ccc21 ZINC000597019386 439028512 /nfs/dbraw/zinc/02/85/12/439028512.db2.gz AABYVIAALRKNRI-UHFFFAOYSA-N 1 2 328.376 0.598 20 30 ECEDLO C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)n1nnc(-c2ccccc2)n1 ZINC000566306192 439038524 /nfs/dbraw/zinc/03/85/24/439038524.db2.gz ITTXUUZNEHYOFY-LRDDRELGSA-N 1 2 327.392 0.861 20 30 ECEDLO COCCn1cc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)cn1 ZINC000471811314 439096700 /nfs/dbraw/zinc/09/67/00/439096700.db2.gz RFOICEBOHQHNJA-UHFFFAOYSA-N 1 2 343.435 0.765 20 30 ECEDLO N#CC1(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)CCOCC1 ZINC000478875304 439109914 /nfs/dbraw/zinc/10/99/14/439109914.db2.gz OFGOVYWBFXQCJZ-OAHLLOKOSA-N 1 2 337.420 0.256 20 30 ECEDLO Cn1cc[nH+]c1CNC(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000580391085 439085898 /nfs/dbraw/zinc/08/58/98/439085898.db2.gz CEKMLYVOTWTPIL-UHFFFAOYSA-N 1 2 325.376 0.719 20 30 ECEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)NCCOc2ccc3c(c2)OCO3)C1 ZINC000592149690 439167693 /nfs/dbraw/zinc/16/76/93/439167693.db2.gz UOLWBFVRLJUJKG-QGZVFWFLSA-N 1 2 347.371 0.261 20 30 ECEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)NCCOc2ccc3c(c2)OCO3)C1 ZINC000592149690 439167698 /nfs/dbraw/zinc/16/76/98/439167698.db2.gz UOLWBFVRLJUJKG-QGZVFWFLSA-N 1 2 347.371 0.261 20 30 ECEDLO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149330 439167704 /nfs/dbraw/zinc/16/77/04/439167704.db2.gz NDJZVXBEERQRET-GLJUWKHASA-N 1 2 345.399 0.682 20 30 ECEDLO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149330 439167707 /nfs/dbraw/zinc/16/77/07/439167707.db2.gz NDJZVXBEERQRET-GLJUWKHASA-N 1 2 345.399 0.682 20 30 ECEDLO C=CCn1cc(CNC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)nn1 ZINC000567734059 439172741 /nfs/dbraw/zinc/17/27/41/439172741.db2.gz JLDNFBLVRHXNSX-HIFRSBDPSA-N 1 2 334.424 0.469 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN([C@H](C)c2nc(C(=O)OC)co2)CC1 ZINC000602758799 439131498 /nfs/dbraw/zinc/13/14/98/439131498.db2.gz NRQXFTPGPAQMRH-GFCCVEGCSA-N 1 2 336.392 0.442 20 30 ECEDLO C[C@@H]1C[NH+]([C@H]2CCCN(c3cnn(C)c3)C2=O)C[C@@H](C)N1CC#N ZINC000602854568 439144495 /nfs/dbraw/zinc/14/44/95/439144495.db2.gz CTLYAJCRXCJWEG-FMKPAKJESA-N 1 2 330.436 0.834 20 30 ECEDLO C[C@@H]1C[N@@H+](CC(=O)N2CC(=O)Nc3ccccc32)C[C@H](C)N1CC#N ZINC000602860006 439148127 /nfs/dbraw/zinc/14/81/27/439148127.db2.gz HJYHNUVEAFCWPX-OKILXGFUSA-N 1 2 341.415 0.890 20 30 ECEDLO C[C@@H]1C[N@H+](CC(=O)N2CC(=O)Nc3ccccc32)C[C@H](C)N1CC#N ZINC000602860006 439148132 /nfs/dbraw/zinc/14/81/32/439148132.db2.gz HJYHNUVEAFCWPX-OKILXGFUSA-N 1 2 341.415 0.890 20 30 ECEDLO N#CCCN(C(=O)C[NH+]1CCN(c2nc[nH]n2)CC1)c1ccccc1 ZINC000602870555 439150421 /nfs/dbraw/zinc/15/04/21/439150421.db2.gz NDNBDDPGSVAOFN-UHFFFAOYSA-N 1 2 339.403 0.874 20 30 ECEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000592147623 439164307 /nfs/dbraw/zinc/16/43/07/439164307.db2.gz MRUBRHRFJDVBJK-GUYCJALGSA-N 1 2 331.372 0.293 20 30 ECEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000592147623 439164313 /nfs/dbraw/zinc/16/43/13/439164313.db2.gz MRUBRHRFJDVBJK-GUYCJALGSA-N 1 2 331.372 0.293 20 30 ECEDLO N#CC[C@@]1(O)CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000592304871 439198510 /nfs/dbraw/zinc/19/85/10/439198510.db2.gz WTGLVMDFSWACDZ-QGZVFWFLSA-N 1 2 339.355 0.688 20 30 ECEDLO C=CCNC(=O)[C@H](C)n1cc(C[NH+]2CCC(C(=O)OCC)CC2)nn1 ZINC000603185508 439206007 /nfs/dbraw/zinc/20/60/07/439206007.db2.gz KDZKCZGGMWXVKW-ZDUSSCGKSA-N 1 2 349.435 0.916 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1c(C#N)cnn1-c1ccccc1 ZINC000603310496 439238748 /nfs/dbraw/zinc/23/87/48/439238748.db2.gz UIPMRPIZFPJGJV-QGZVFWFLSA-N 1 2 341.415 0.873 20 30 ECEDLO N#Cc1cc(N[C@H](CO)C[NH+]2CCOCC2)ncc1Br ZINC000603393927 439254591 /nfs/dbraw/zinc/25/45/91/439254591.db2.gz CJMJJWWVOSRWPD-NSHDSACASA-N 1 2 341.209 0.821 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\C2CCOCC2)CC1 ZINC000490670145 439284519 /nfs/dbraw/zinc/28/45/19/439284519.db2.gz LHLPNKIDXORXAO-PLNGDYQASA-N 1 2 333.432 0.253 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\C2CCOCC2)CC1 ZINC000490670145 439284525 /nfs/dbraw/zinc/28/45/25/439284525.db2.gz LHLPNKIDXORXAO-PLNGDYQASA-N 1 2 333.432 0.253 20 30 ECEDLO CC[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cccc(C#N)n2)CCO1 ZINC000569220629 439314585 /nfs/dbraw/zinc/31/45/85/439314585.db2.gz ZJWDMBVKRYLAEK-CYBMUJFWSA-N 1 2 331.376 0.119 20 30 ECEDLO CC[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cccc(C#N)n2)CCO1 ZINC000569220629 439314588 /nfs/dbraw/zinc/31/45/88/439314588.db2.gz ZJWDMBVKRYLAEK-CYBMUJFWSA-N 1 2 331.376 0.119 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1 ZINC000491067260 439328981 /nfs/dbraw/zinc/32/89/81/439328981.db2.gz HEDWOVNMMMTSPR-KRWDZBQOSA-N 1 2 332.404 0.126 20 30 ECEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528369618 439331237 /nfs/dbraw/zinc/33/12/37/439331237.db2.gz WCXLHHXKNLFZIW-INIZCTEOSA-N 1 2 339.395 0.887 20 30 ECEDLO CNC(=O)[C@@H]1CCCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528369618 439331239 /nfs/dbraw/zinc/33/12/39/439331239.db2.gz WCXLHHXKNLFZIW-INIZCTEOSA-N 1 2 339.395 0.887 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2Cc3cnn(-c4ccccc4)c3C2)CC1 ZINC000491118286 439332217 /nfs/dbraw/zinc/33/22/17/439332217.db2.gz BTQSYXZJFKZOAO-UHFFFAOYSA-N 1 2 349.438 0.965 20 30 ECEDLO CC(=O)NC[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)CCO1 ZINC000528385675 439332611 /nfs/dbraw/zinc/33/26/11/439332611.db2.gz CHBKPTOVZDWISQ-JKSUJKDBSA-N 1 2 333.388 0.135 20 30 ECEDLO CC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)CCO1 ZINC000528385675 439332618 /nfs/dbraw/zinc/33/26/18/439332618.db2.gz CHBKPTOVZDWISQ-JKSUJKDBSA-N 1 2 333.388 0.135 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(C3(O)CC3)CC2)nc1 ZINC000593045959 439333121 /nfs/dbraw/zinc/33/31/21/439333121.db2.gz WKTGWQONNYTUAW-UHFFFAOYSA-N 1 2 335.429 0.964 20 30 ECEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000528447486 439335356 /nfs/dbraw/zinc/33/53/56/439335356.db2.gz UZLFCWYMZRZDSP-OAHLLOKOSA-N 1 2 339.395 0.302 20 30 ECEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCN2CCOC[C@H]2C1 ZINC000528447486 439335361 /nfs/dbraw/zinc/33/53/61/439335361.db2.gz UZLFCWYMZRZDSP-OAHLLOKOSA-N 1 2 339.395 0.302 20 30 ECEDLO C[C@H](O)C[C@H]1COCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528450098 439335933 /nfs/dbraw/zinc/33/59/33/439335933.db2.gz KKJWBJFFRPTASK-GJZGRUSLSA-N 1 2 342.395 0.758 20 30 ECEDLO C[C@H](O)C[C@H]1COCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528450098 439335938 /nfs/dbraw/zinc/33/59/38/439335938.db2.gz KKJWBJFFRPTASK-GJZGRUSLSA-N 1 2 342.395 0.758 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCCC[C@H]2c2nc(C)no2)CC1 ZINC000491125024 439336022 /nfs/dbraw/zinc/33/60/22/439336022.db2.gz APCNIJJMAXFAIO-HNNXBMFYSA-N 1 2 331.420 0.682 20 30 ECEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000598618774 439288855 /nfs/dbraw/zinc/28/88/55/439288855.db2.gz QCGQWEUITWTJOA-RDBSUJKOSA-N 1 2 327.400 0.558 20 30 ECEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000598618774 439288858 /nfs/dbraw/zinc/28/88/58/439288858.db2.gz QCGQWEUITWTJOA-RDBSUJKOSA-N 1 2 327.400 0.558 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000490780332 439297102 /nfs/dbraw/zinc/29/71/02/439297102.db2.gz KEQMWTPTOQTQIK-UHFFFAOYSA-N 1 2 338.411 0.384 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000490780332 439297106 /nfs/dbraw/zinc/29/71/06/439297106.db2.gz KEQMWTPTOQTQIK-UHFFFAOYSA-N 1 2 338.411 0.384 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCO[C@@H](Cc3ccccc3)C2)CC1 ZINC000490914207 439308985 /nfs/dbraw/zinc/30/89/85/439308985.db2.gz GTLWWWANYUKPRW-IBGZPJMESA-N 1 2 341.455 0.707 20 30 ECEDLO C#CC[N@@H+](C[C@@H]1CC(C(=O)OC)=C(C)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000490921972 439311694 /nfs/dbraw/zinc/31/16/94/439311694.db2.gz BFMFVOVUXWNNCY-OLZOCXBDSA-N 1 2 327.402 0.345 20 30 ECEDLO C#CC[N@H+](C[C@@H]1CC(C(=O)OC)=C(C)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000490921972 439311697 /nfs/dbraw/zinc/31/16/97/439311697.db2.gz BFMFVOVUXWNNCY-OLZOCXBDSA-N 1 2 327.402 0.345 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)[C@@H]1OCC(=O)N(CC)[C@H]1c1[nH+]ccn1C ZINC000599082219 439353870 /nfs/dbraw/zinc/35/38/70/439353870.db2.gz CDFIGSRMADLVPH-BPLDGKMQSA-N 1 2 347.419 0.717 20 30 ECEDLO C#CC[NH+]1CCN(CN2C[C@@H](NC(=O)OC(C)(C)C)CC2=O)CC1 ZINC000491230107 439354311 /nfs/dbraw/zinc/35/43/11/439354311.db2.gz KWAXGYACPWECLH-AWEZNQCLSA-N 1 2 336.436 0.320 20 30 ECEDLO C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000491251867 439356448 /nfs/dbraw/zinc/35/64/48/439356448.db2.gz CSUPCUYNNIZIAD-AWEZNQCLSA-N 1 2 329.400 0.937 20 30 ECEDLO C#C[C@@H]1COCCN1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000491340596 439367988 /nfs/dbraw/zinc/36/79/88/439367988.db2.gz YVZMZZUISMVTQW-OAHLLOKOSA-N 1 2 330.388 0.462 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2ccc3cc(F)ccc3c2=O)CC1 ZINC000491387061 439376512 /nfs/dbraw/zinc/37/65/12/439376512.db2.gz WWHLOZBMIGHWSL-UHFFFAOYSA-N 1 2 327.359 0.918 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@H](C)C(=O)N2CCCCCC2)CC1 ZINC000491523360 439399199 /nfs/dbraw/zinc/39/91/99/439399199.db2.gz DJLMEYUXORDAEO-MRXNPFEDSA-N 1 2 334.464 0.145 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2nnc3ccccn32)nc1 ZINC000582989615 439405943 /nfs/dbraw/zinc/40/59/43/439405943.db2.gz AZIKJCPUIUCHLP-UHFFFAOYSA-N 1 2 342.384 0.559 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CCOc2ccccc2OCC)CC1 ZINC000491641103 439416762 /nfs/dbraw/zinc/41/67/62/439416762.db2.gz ZKTLCWINOPGJSZ-UHFFFAOYSA-N 1 2 345.443 0.831 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCOC2)CC1 ZINC000491673256 439423409 /nfs/dbraw/zinc/42/34/09/439423409.db2.gz IHGVPGIJSIJTQW-CVEARBPZSA-N 1 2 345.447 0.574 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccccc2-n2cncn2)CC1 ZINC000491704414 439430763 /nfs/dbraw/zinc/43/07/63/439430763.db2.gz ISBABBQEIIYUJK-UHFFFAOYSA-N 1 2 325.372 0.424 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCc3cc(Cl)nnc3C2)CC1 ZINC000491723582 439435413 /nfs/dbraw/zinc/43/54/13/439435413.db2.gz CPBRBFGEMKKMTD-UHFFFAOYSA-N 1 2 333.823 0.266 20 30 ECEDLO N#Cc1cc(S(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)ccc1F ZINC000593651276 439436336 /nfs/dbraw/zinc/43/63/36/439436336.db2.gz BFXFBOYTHRGCSN-GFCCVEGCSA-N 1 2 325.365 0.137 20 30 ECEDLO N#Cc1cc(S(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)ccc1F ZINC000593651276 439436340 /nfs/dbraw/zinc/43/63/40/439436340.db2.gz BFXFBOYTHRGCSN-GFCCVEGCSA-N 1 2 325.365 0.137 20 30 ECEDLO COCC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)o2)C(C)(C)C1 ZINC000593658144 439438905 /nfs/dbraw/zinc/43/89/05/439438905.db2.gz RIIJLZUCPPQIFW-UHFFFAOYSA-N 1 2 327.406 0.883 20 30 ECEDLO COCC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)o2)C(C)(C)C1 ZINC000593658144 439438910 /nfs/dbraw/zinc/43/89/10/439438910.db2.gz RIIJLZUCPPQIFW-UHFFFAOYSA-N 1 2 327.406 0.883 20 30 ECEDLO COCC[N@@H+]1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)C(C)(C)C1 ZINC000593659039 439438955 /nfs/dbraw/zinc/43/89/55/439438955.db2.gz YPCNMTAFQCQASJ-CYBMUJFWSA-N 1 2 332.470 0.508 20 30 ECEDLO COCC[N@H+]1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)C(C)(C)C1 ZINC000593659039 439438959 /nfs/dbraw/zinc/43/89/59/439438959.db2.gz YPCNMTAFQCQASJ-CYBMUJFWSA-N 1 2 332.470 0.508 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2ccc3oc(CC)cc3c2=O)CC1 ZINC000491750151 439441883 /nfs/dbraw/zinc/44/18/83/439441883.db2.gz HMIHTIAWUCHPGY-UHFFFAOYSA-N 1 2 327.384 0.934 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC000599354464 439445476 /nfs/dbraw/zinc/44/54/76/439445476.db2.gz WRSPMYVVEGNZTL-JYJNAYRXSA-N 1 2 348.399 0.950 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1C[C@H](O)COc1ccccc1C#N ZINC000599354464 439445479 /nfs/dbraw/zinc/44/54/79/439445479.db2.gz WRSPMYVVEGNZTL-JYJNAYRXSA-N 1 2 348.399 0.950 20 30 ECEDLO C#C[C@H]1COCCN1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000491770877 439445762 /nfs/dbraw/zinc/44/57/62/439445762.db2.gz QNMNIXSQWRMYFV-ZWKOTPCHSA-N 1 2 343.427 0.931 20 30 ECEDLO C#C[C@H]1COCCN1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000491770877 439445764 /nfs/dbraw/zinc/44/57/64/439445764.db2.gz QNMNIXSQWRMYFV-ZWKOTPCHSA-N 1 2 343.427 0.931 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ncccc2Cl)CC1 ZINC000491766583 439447032 /nfs/dbraw/zinc/44/70/32/439447032.db2.gz FLIMXYHPTOVNSX-UHFFFAOYSA-N 1 2 334.807 0.632 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ncccc2Cl)CC1 ZINC000491766583 439447037 /nfs/dbraw/zinc/44/70/37/439447037.db2.gz FLIMXYHPTOVNSX-UHFFFAOYSA-N 1 2 334.807 0.632 20 30 ECEDLO C#CCn1ccc(CN(CCOC)c2cc(NC[C@H](C)O)[nH+]cn2)n1 ZINC000491794244 439451526 /nfs/dbraw/zinc/45/15/26/439451526.db2.gz PLTYJAOKYVMYRS-AWEZNQCLSA-N 1 2 344.419 0.752 20 30 ECEDLO C#CCn1ccc(CN(CCOC)c2cc(NC[C@H](C)O)nc[nH+]2)n1 ZINC000491794244 439451530 /nfs/dbraw/zinc/45/15/30/439451530.db2.gz PLTYJAOKYVMYRS-AWEZNQCLSA-N 1 2 344.419 0.752 20 30 ECEDLO C#C[C@H](C)N(C)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000491794701 439452048 /nfs/dbraw/zinc/45/20/48/439452048.db2.gz RWKIBEQSHDDNBT-HNNXBMFYSA-N 1 2 343.431 0.783 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@H](Nc2ccc(C#N)c(N)n2)C1=O ZINC000570816863 439453830 /nfs/dbraw/zinc/45/38/30/439453830.db2.gz XSCVRWDIPARKRK-LBPRGKRZSA-N 1 2 325.376 0.872 20 30 ECEDLO N#CC1(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCC1 ZINC000593778437 439466177 /nfs/dbraw/zinc/46/61/77/439466177.db2.gz RQZSKSUJMLRPIZ-HNNXBMFYSA-N 1 2 348.447 0.367 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2nncn2C)CC1 ZINC000594026731 439510652 /nfs/dbraw/zinc/51/06/52/439510652.db2.gz NYLQJNONAMYJDC-CZUORRHYSA-N 1 2 333.440 0.380 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)/C=C\c1ccc(C#N)cc1 ZINC000492082460 439492384 /nfs/dbraw/zinc/49/23/84/439492384.db2.gz HMILKTSLRBOIDK-JTGQJZMRSA-N 1 2 329.400 0.723 20 30 ECEDLO CCCn1c(N)c(C(=O)C[NH+]2CCC(CC#N)CC2)c(=O)[nH]c1=O ZINC000583653998 439496100 /nfs/dbraw/zinc/49/61/00/439496100.db2.gz SQADUARGZOUJNU-UHFFFAOYSA-N 1 2 333.392 0.749 20 30 ECEDLO N#CCC(=O)N1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000594016858 439505802 /nfs/dbraw/zinc/50/58/02/439505802.db2.gz QLOJGRBIEZQHGC-INIZCTEOSA-N 1 2 342.399 0.550 20 30 ECEDLO COC(=O)[C@]1(OC)CC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000599568307 439507446 /nfs/dbraw/zinc/50/74/46/439507446.db2.gz ZYUWPQGCWDKTSN-WBMJQRKESA-N 1 2 349.412 0.989 20 30 ECEDLO COC(=O)[C@]1(OC)CC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000599568307 439507450 /nfs/dbraw/zinc/50/74/50/439507450.db2.gz ZYUWPQGCWDKTSN-WBMJQRKESA-N 1 2 349.412 0.989 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC000599670337 439532767 /nfs/dbraw/zinc/53/27/67/439532767.db2.gz IPXLMCBFYYDLHP-CQSZACIVSA-N 1 2 331.372 0.771 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC000599670337 439532770 /nfs/dbraw/zinc/53/27/70/439532770.db2.gz IPXLMCBFYYDLHP-CQSZACIVSA-N 1 2 331.372 0.771 20 30 ECEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000594314532 439541079 /nfs/dbraw/zinc/54/10/79/439541079.db2.gz KMVIDQXPLZYDNR-CRAIPNDOSA-N 1 2 345.443 0.888 20 30 ECEDLO N#CC1(NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)CCOCC1 ZINC000537219437 439541157 /nfs/dbraw/zinc/54/11/57/439541157.db2.gz JBWLBWSLBYPGQG-UHFFFAOYSA-N 1 2 330.388 0.716 20 30 ECEDLO C[C@H](C(=O)NCC1CC[NH+](CC(F)F)CC1)n1cnc(C#N)n1 ZINC000594360998 439547336 /nfs/dbraw/zinc/54/73/36/439547336.db2.gz HBLJFYCKTYGFEW-SNVBAGLBSA-N 1 2 326.351 0.804 20 30 ECEDLO C[C@H](O)CN1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000609260342 439558405 /nfs/dbraw/zinc/55/84/05/439558405.db2.gz WCEHCVWHHJAMAN-RDJZCZTQSA-N 1 2 333.432 0.491 20 30 ECEDLO CC(C)(C)NC(=O)Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000583784735 439511718 /nfs/dbraw/zinc/51/17/18/439511718.db2.gz SFNBXXJPBOTMBK-UHFFFAOYSA-N 1 2 332.404 0.467 20 30 ECEDLO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)C[C@@H](C)O1 ZINC000599604146 439514860 /nfs/dbraw/zinc/51/48/60/439514860.db2.gz FRMVCKPLNCXCIM-XPKDYRNWSA-N 1 2 334.372 0.560 20 30 ECEDLO COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)C[C@@H](C)O1 ZINC000599604146 439514864 /nfs/dbraw/zinc/51/48/64/439514864.db2.gz FRMVCKPLNCXCIM-XPKDYRNWSA-N 1 2 334.372 0.560 20 30 ECEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610614949 439631426 /nfs/dbraw/zinc/63/14/26/439631426.db2.gz ZKAABRWTBYHMTM-GASCZTMLSA-N 1 2 341.371 0.110 20 30 ECEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610614949 439631429 /nfs/dbraw/zinc/63/14/29/439631429.db2.gz ZKAABRWTBYHMTM-GASCZTMLSA-N 1 2 341.371 0.110 20 30 ECEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000600420913 439654268 /nfs/dbraw/zinc/65/42/68/439654268.db2.gz LZACPMBTJHXGCL-BLLLJJGKSA-N 1 2 325.409 0.695 20 30 ECEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000600420913 439654272 /nfs/dbraw/zinc/65/42/72/439654272.db2.gz LZACPMBTJHXGCL-BLLLJJGKSA-N 1 2 325.409 0.695 20 30 ECEDLO C[C@]1(C#N)CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000595124373 439657497 /nfs/dbraw/zinc/65/74/97/439657497.db2.gz RHWUGRBAYADAAI-RHSMWYFYSA-N 1 2 334.420 0.072 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cccc(C#N)n2)[C@H](C)CO1 ZINC000595126992 439658265 /nfs/dbraw/zinc/65/82/65/439658265.db2.gz YEVXRWSGORGFEA-VXGBXAGGSA-N 1 2 331.376 0.117 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cccc(C#N)n2)[C@H](C)CO1 ZINC000595126992 439658269 /nfs/dbraw/zinc/65/82/69/439658269.db2.gz YEVXRWSGORGFEA-VXGBXAGGSA-N 1 2 331.376 0.117 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2sccc2C#N)[C@H](C)CO1 ZINC000595126595 439658955 /nfs/dbraw/zinc/65/89/55/439658955.db2.gz QQZMVGXTERWYQO-GHMZBOCLSA-N 1 2 336.417 0.784 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2sccc2C#N)[C@H](C)CO1 ZINC000595126595 439658960 /nfs/dbraw/zinc/65/89/60/439658960.db2.gz QQZMVGXTERWYQO-GHMZBOCLSA-N 1 2 336.417 0.784 20 30 ECEDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000611003821 439665310 /nfs/dbraw/zinc/66/53/10/439665310.db2.gz KDXPXNOBSIVKKZ-ZDUSSCGKSA-N 1 2 347.400 0.732 20 30 ECEDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000611003821 439665311 /nfs/dbraw/zinc/66/53/11/439665311.db2.gz KDXPXNOBSIVKKZ-ZDUSSCGKSA-N 1 2 347.400 0.732 20 30 ECEDLO Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)CC1 ZINC000595169648 439667120 /nfs/dbraw/zinc/66/71/20/439667120.db2.gz NUBLALGJSZUQDL-SFHVURJKSA-N 1 2 341.415 0.801 20 30 ECEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)cc1 ZINC000574418301 439705004 /nfs/dbraw/zinc/70/50/04/439705004.db2.gz SVIIWKIGXUGTRC-INIZCTEOSA-N 1 2 340.387 0.918 20 30 ECEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)cc1 ZINC000574418301 439705006 /nfs/dbraw/zinc/70/50/06/439705006.db2.gz SVIIWKIGXUGTRC-INIZCTEOSA-N 1 2 340.387 0.918 20 30 ECEDLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)CC2(C#N)CCC2)C1 ZINC000573884882 439673262 /nfs/dbraw/zinc/67/32/62/439673262.db2.gz QGHFPYIZWPJICO-AWEZNQCLSA-N 1 2 329.466 0.956 20 30 ECEDLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)CC2(C#N)CCC2)C1 ZINC000573884882 439673265 /nfs/dbraw/zinc/67/32/65/439673265.db2.gz QGHFPYIZWPJICO-AWEZNQCLSA-N 1 2 329.466 0.956 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC[C@@H]1CCS(=O)(=O)C1 ZINC000611171423 439677638 /nfs/dbraw/zinc/67/76/38/439677638.db2.gz OWCPUFZOKNLHJT-UONOGXRCSA-N 1 2 349.460 0.684 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CC[C@@H]1CCS(=O)(=O)C1 ZINC000611171423 439677639 /nfs/dbraw/zinc/67/76/39/439677639.db2.gz OWCPUFZOKNLHJT-UONOGXRCSA-N 1 2 349.460 0.684 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)nc1 ZINC000600685561 439690273 /nfs/dbraw/zinc/69/02/73/439690273.db2.gz VYDDYXJSZGSXCX-INIZCTEOSA-N 1 2 337.383 0.979 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)nc1 ZINC000600685561 439690276 /nfs/dbraw/zinc/69/02/76/439690276.db2.gz VYDDYXJSZGSXCX-INIZCTEOSA-N 1 2 337.383 0.979 20 30 ECEDLO N#Cc1ccc(CC[NH+]2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 ZINC000595296089 439692485 /nfs/dbraw/zinc/69/24/85/439692485.db2.gz ICYDJIQTNPCWOK-UHFFFAOYSA-N 1 2 340.427 0.867 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)CC(=O)N2CCCC2)CC1 ZINC000611370930 439694279 /nfs/dbraw/zinc/69/42/79/439694279.db2.gz IWPUROGCMFQUQL-MRXNPFEDSA-N 1 2 349.479 0.233 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)CC(=O)N2CCCC2)CC1 ZINC000611370930 439694284 /nfs/dbraw/zinc/69/42/84/439694284.db2.gz IWPUROGCMFQUQL-MRXNPFEDSA-N 1 2 349.479 0.233 20 30 ECEDLO N#C[C@]1(F)CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000615538029 439802075 /nfs/dbraw/zinc/80/20/75/439802075.db2.gz JXGQDWARFMYBFE-OAHLLOKOSA-N 1 2 336.371 0.685 20 30 ECEDLO C=CCCCNC(=O)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000636832787 440058254 /nfs/dbraw/zinc/05/82/54/440058254.db2.gz DOOWQLYRHYFURD-UHFFFAOYSA-N 1 2 331.420 0.246 20 30 ECEDLO C=CCCCS(=O)(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000632491333 440248000 /nfs/dbraw/zinc/24/80/00/440248000.db2.gz FQMRCWGOGLVPEL-AWEZNQCLSA-N 1 2 329.466 0.567 20 30 ECEDLO C=CCCn1cc(C[NH2+]CCNS(=O)(=O)c2ccccc2)nn1 ZINC000657333765 440998395 /nfs/dbraw/zinc/99/83/95/440998395.db2.gz XNUWSFLBPOOUCC-UHFFFAOYSA-N 1 2 335.433 0.922 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)NCc2ccccc2COC)nn1 ZINC000640968448 441034116 /nfs/dbraw/zinc/03/41/16/441034116.db2.gz LUHBSLLABZFONS-UHFFFAOYSA-N 1 2 341.415 0.854 20 30 ECEDLO CC(=O)N1CC[NH+](CCNC(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000547706581 322135617 /nfs/dbraw/zinc/13/56/17/322135617.db2.gz RBGQTAKDSXAGNI-UHFFFAOYSA-N 1 2 340.427 0.870 20 30 ECEDLO C[C@@H](C(=O)N1CCN(c2cnccc2C#N)CC1)[NH+]1CCOCC1 ZINC000563401713 322315213 /nfs/dbraw/zinc/31/52/13/322315213.db2.gz XNQLRIJIEAYXQL-AWEZNQCLSA-N 1 2 329.404 0.323 20 30 ECEDLO CCn1nncc1Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000566498016 322538821 /nfs/dbraw/zinc/53/88/21/322538821.db2.gz RZKNXRKPLOXCRW-UHFFFAOYSA-N 1 2 328.376 0.212 20 30 ECEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccnc(C#N)n2)CC1 ZINC000569139233 322644755 /nfs/dbraw/zinc/64/47/55/322644755.db2.gz YAKXUTSRKYVWCK-AWEZNQCLSA-N 1 2 328.420 0.871 20 30 ECEDLO C[C@@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)Cn1cc[nH+]c1 ZINC000155006303 533896760 /nfs/dbraw/zinc/89/67/60/533896760.db2.gz WHUOHZBRKAMUBT-ZDUSSCGKSA-N 1 2 325.372 0.937 20 30 ECEDLO C=C(C)CN(CC)C(=O)CN1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000054994734 545672874 /nfs/dbraw/zinc/67/28/74/545672874.db2.gz DJKUPPRJFRXQBZ-HNNXBMFYSA-N 1 2 336.480 0.696 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000054994734 545672879 /nfs/dbraw/zinc/67/28/79/545672879.db2.gz DJKUPPRJFRXQBZ-HNNXBMFYSA-N 1 2 336.480 0.696 20 30 ECEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 ZINC000329116405 546014613 /nfs/dbraw/zinc/01/46/13/546014613.db2.gz NICGGHWPNHFQBP-OAHLLOKOSA-N 1 2 338.452 0.565 20 30 ECEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 ZINC000329116405 546014614 /nfs/dbraw/zinc/01/46/14/546014614.db2.gz NICGGHWPNHFQBP-OAHLLOKOSA-N 1 2 338.452 0.565 20 30 ECEDLO C[C@H](CNC(=O)N1CCOCC2(CCOCC2)C1)[NH+]1CCOCC1 ZINC000329724145 546033058 /nfs/dbraw/zinc/03/30/58/546033058.db2.gz CYRINVKKSXMKAH-OAHLLOKOSA-N 1 2 341.452 0.750 20 30 ECEDLO CC1(C)CN(S(=O)(=O)c2cccc(CC#N)c2)CC[N@@H+]1CCO ZINC000619498665 546335414 /nfs/dbraw/zinc/33/54/14/546335414.db2.gz AJYQAQYOQYWCMR-UHFFFAOYSA-N 1 2 337.445 0.830 20 30 ECEDLO CC1(C)CN(S(=O)(=O)c2cccc(CC#N)c2)CC[N@H+]1CCO ZINC000619498665 546335418 /nfs/dbraw/zinc/33/54/18/546335418.db2.gz AJYQAQYOQYWCMR-UHFFFAOYSA-N 1 2 337.445 0.830 20 30 ECEDLO N#C[C@@H]1CN(S(=O)(=O)NCC[NH+]2Cc3ccccc3C2)CCO1 ZINC000619708120 546358892 /nfs/dbraw/zinc/35/88/92/546358892.db2.gz APQZILCNKNBFLT-OAHLLOKOSA-N 1 2 336.417 0.061 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cnnn2-c2ccccc2)CC1 ZINC000675793916 548762347 /nfs/dbraw/zinc/76/23/47/548762347.db2.gz LLKLNMRKFHLXNB-UHFFFAOYSA-N 1 2 340.431 0.687 20 30 ECEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](O)C[C@H](O)C2)cc1C ZINC000752095022 579380961 /nfs/dbraw/zinc/38/09/61/579380961.db2.gz SUJJQJIJPMETGY-CALCHBBNSA-N 1 2 331.416 0.978 20 30 ECEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](O)C[C@H](O)C2)cc1C ZINC000752095022 579380962 /nfs/dbraw/zinc/38/09/62/579380962.db2.gz SUJJQJIJPMETGY-CALCHBBNSA-N 1 2 331.416 0.978 20 30 ECEDLO NC(=NOCC(=O)NCC1CC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000752771374 579390758 /nfs/dbraw/zinc/39/07/58/579390758.db2.gz YJDAQWZWGNOOOV-UHFFFAOYSA-N 1 2 346.431 0.682 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C=CC(=O)Nc2ccc3n[nH]cc3c2)CC1 ZINC000752967710 579393084 /nfs/dbraw/zinc/39/30/84/579393084.db2.gz STWHTTMCCOAAFQ-WAYWQWQTSA-N 1 2 337.383 0.835 20 30 ECEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(CC(=O)NCCC#N)CC1 ZINC000728930734 578291922 /nfs/dbraw/zinc/29/19/22/578291922.db2.gz DQXXWCSMXGXDHA-AWEZNQCLSA-N 1 2 335.452 0.081 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cn1 ZINC000728962245 578292035 /nfs/dbraw/zinc/29/20/35/578292035.db2.gz KROZCEUOODHPHU-UHFFFAOYSA-N 1 2 340.427 0.833 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cn1 ZINC000728962245 578292036 /nfs/dbraw/zinc/29/20/36/578292036.db2.gz KROZCEUOODHPHU-UHFFFAOYSA-N 1 2 340.427 0.833 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)nc1 ZINC000728962309 578292054 /nfs/dbraw/zinc/29/20/54/578292054.db2.gz NPURXVXKWCZIOB-UHFFFAOYSA-N 1 2 340.427 0.833 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)nc1 ZINC000728962309 578292055 /nfs/dbraw/zinc/29/20/55/578292055.db2.gz NPURXVXKWCZIOB-UHFFFAOYSA-N 1 2 340.427 0.833 20 30 ECEDLO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+](C)Cc2ccccc2)c1=O ZINC000732408600 578325177 /nfs/dbraw/zinc/32/51/77/578325177.db2.gz QVTPHUDNCBIMTN-UHFFFAOYSA-N 1 2 342.399 0.633 20 30 ECEDLO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+](C)Cc2ccccc2)c1=O ZINC000732408600 578325178 /nfs/dbraw/zinc/32/51/78/578325178.db2.gz QVTPHUDNCBIMTN-UHFFFAOYSA-N 1 2 342.399 0.633 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732786130 578329629 /nfs/dbraw/zinc/32/96/29/578329629.db2.gz BNMSDDSOPJRTTD-RYUDHWBXSA-N 1 2 331.338 0.706 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732786130 578329630 /nfs/dbraw/zinc/32/96/30/578329630.db2.gz BNMSDDSOPJRTTD-RYUDHWBXSA-N 1 2 331.338 0.706 20 30 ECEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732811317 578329973 /nfs/dbraw/zinc/32/99/73/578329973.db2.gz SLOCFNJMAMTYHH-SMDDNHRTSA-N 1 2 346.353 0.890 20 30 ECEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732811317 578329974 /nfs/dbraw/zinc/32/99/74/578329974.db2.gz SLOCFNJMAMTYHH-SMDDNHRTSA-N 1 2 346.353 0.890 20 30 ECEDLO Cc1nc(N2CCN(Cn3nc(CC#N)n(C)c3=S)CC2)cc[nH+]1 ZINC000794641971 578596838 /nfs/dbraw/zinc/59/68/38/578596838.db2.gz ZTEKYVWBXHEUBS-UHFFFAOYSA-N 1 2 344.448 0.895 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2nnn(Cc3ccncc3)c2C)CC1 ZINC000795916317 578621481 /nfs/dbraw/zinc/62/14/81/578621481.db2.gz KVNLXSCGUQHNSA-UHFFFAOYSA-N 1 2 338.415 0.811 20 30 ECEDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCC2(CC#N)CC2)CC1 ZINC000797453030 578634015 /nfs/dbraw/zinc/63/40/15/578634015.db2.gz BTTOAYANGRYESJ-UHFFFAOYSA-N 1 2 342.465 0.488 20 30 ECEDLO C#CCC[C@H](O)CNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000798355814 578644606 /nfs/dbraw/zinc/64/46/06/578644606.db2.gz HOAIIPUWAJQUPS-HNNXBMFYSA-N 1 2 332.404 0.492 20 30 ECEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1C(=O)NCCC#N ZINC000787358866 578805640 /nfs/dbraw/zinc/80/56/40/578805640.db2.gz NCTFALGHNSOWBY-AWEZNQCLSA-N 1 2 326.360 0.739 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CN(CC(N)=O)CC2 ZINC000790152619 578869082 /nfs/dbraw/zinc/86/90/82/578869082.db2.gz CUNDJVWICCSSMY-KRWDZBQOSA-N 1 2 340.427 0.566 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CN(CC(N)=O)CC2 ZINC000790152619 578869083 /nfs/dbraw/zinc/86/90/83/578869083.db2.gz CUNDJVWICCSSMY-KRWDZBQOSA-N 1 2 340.427 0.566 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1)[C@@H]1CCCO1 ZINC000793867869 578941803 /nfs/dbraw/zinc/94/18/03/578941803.db2.gz TYRDLYXXBTVTDD-IRXDYDNUSA-N 1 2 341.411 0.415 20 30 ECEDLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)n2ncc(C#N)c2N)CC1 ZINC000769677480 579149710 /nfs/dbraw/zinc/14/97/10/579149710.db2.gz QOGYMLZXEHZLKY-UHFFFAOYSA-N 1 2 348.407 0.966 20 30 ECEDLO N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)nc1 ZINC000774095742 579239818 /nfs/dbraw/zinc/23/98/18/579239818.db2.gz PVHJEKZEUFQVHH-UHFFFAOYSA-N 1 2 349.354 0.768 20 30 ECEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cc1ccccc1CC#N ZINC000777526354 579299284 /nfs/dbraw/zinc/29/92/84/579299284.db2.gz QZTOEJKPUCWGAV-HNNXBMFYSA-N 1 2 326.356 0.919 20 30 ECEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cc1ccccc1CC#N ZINC000777526354 579299286 /nfs/dbraw/zinc/29/92/86/579299286.db2.gz QZTOEJKPUCWGAV-HNNXBMFYSA-N 1 2 326.356 0.919 20 30 ECEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000760892733 579517083 /nfs/dbraw/zinc/51/70/83/579517083.db2.gz WNVPPFQZNWWGAQ-CYBMUJFWSA-N 1 2 342.355 0.446 20 30 ECEDLO C#CCNS(=O)(=O)N1CCN(Cc2[nH+]ccn2C(C)C)CC1 ZINC000761024223 579519521 /nfs/dbraw/zinc/51/95/21/579519521.db2.gz LMPRDDLXZBZDRA-UHFFFAOYSA-N 1 2 325.438 0.049 20 30 ECEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000746475217 579840536 /nfs/dbraw/zinc/84/05/36/579840536.db2.gz PZHDHRRMBRFUNE-SHACYNPGSA-N 1 2 348.472 0.881 20 30 ECEDLO COc1ccc(CNC(=O)C[N@H+](C)CC(=O)NC(C)C)cc1C#N ZINC000746873382 579845023 /nfs/dbraw/zinc/84/50/23/579845023.db2.gz WPEWPDDXIHLTTF-UHFFFAOYSA-N 1 2 332.404 0.639 20 30 ECEDLO COc1ccc(CNC(=O)C[N@@H+](C)CC(=O)NC(C)C)cc1C#N ZINC000746873382 579845024 /nfs/dbraw/zinc/84/50/24/579845024.db2.gz WPEWPDDXIHLTTF-UHFFFAOYSA-N 1 2 332.404 0.639 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000891606486 586181622 /nfs/dbraw/zinc/18/16/22/586181622.db2.gz NVCGNKDONBIHJG-ZDUSSCGKSA-N 1 2 329.356 0.568 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000891606486 586181624 /nfs/dbraw/zinc/18/16/24/586181624.db2.gz NVCGNKDONBIHJG-ZDUSSCGKSA-N 1 2 329.356 0.568 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC)nc2OC)C1 ZINC000891607442 586181820 /nfs/dbraw/zinc/18/18/20/586181820.db2.gz TXTVAWFURLMLHU-GFCCVEGCSA-N 1 2 346.387 0.251 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC)nc2OC)C1 ZINC000891607442 586181822 /nfs/dbraw/zinc/18/18/22/586181822.db2.gz TXTVAWFURLMLHU-GFCCVEGCSA-N 1 2 346.387 0.251 20 30 ECEDLO C#CC1(O)CN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000891907056 586205351 /nfs/dbraw/zinc/20/53/51/586205351.db2.gz KHEKIRIEPGAISN-MRXNPFEDSA-N 1 2 329.400 0.449 20 30 ECEDLO C#CC1(O)CN(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)C1 ZINC000892174685 586227057 /nfs/dbraw/zinc/22/70/57/586227057.db2.gz DMOYSYGSBDNKSO-QGZVFWFLSA-N 1 2 343.427 0.758 20 30 ECEDLO C[C@@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896540954 586250718 /nfs/dbraw/zinc/25/07/18/586250718.db2.gz ZDPCOEFBLGBGDL-DYVFJYSZSA-N 1 2 329.448 0.988 20 30 ECEDLO C[C@@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896540954 586250720 /nfs/dbraw/zinc/25/07/20/586250720.db2.gz ZDPCOEFBLGBGDL-DYVFJYSZSA-N 1 2 329.448 0.988 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](c2[nH]ncc2C(=O)OCC)C1 ZINC000898760942 586447315 /nfs/dbraw/zinc/44/73/15/586447315.db2.gz FCPYTDRJZLKYPW-HIFRSBDPSA-N 1 2 344.415 1.000 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](c2[nH]ncc2C(=O)OCC)C1 ZINC000898760942 586447316 /nfs/dbraw/zinc/44/73/16/586447316.db2.gz FCPYTDRJZLKYPW-HIFRSBDPSA-N 1 2 344.415 1.000 20 30 ECEDLO C#CCN(CC(=O)N[C@H](CO)c1c[nH+]cn1C)C(=O)OC(C)(C)C ZINC000898895730 586457427 /nfs/dbraw/zinc/45/74/27/586457427.db2.gz KHOOCFVMDUUHSE-GFCCVEGCSA-N 1 2 336.392 0.440 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC(F)(F)C(F)F)CC1 ZINC000900585291 586647877 /nfs/dbraw/zinc/64/78/77/586647877.db2.gz LTLGAFYENSUCRH-UHFFFAOYSA-N 1 2 337.317 0.561 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC(F)(F)C(F)F)CC1 ZINC000900585291 586647878 /nfs/dbraw/zinc/64/78/78/586647878.db2.gz LTLGAFYENSUCRH-UHFFFAOYSA-N 1 2 337.317 0.561 20 30 ECEDLO C[S@](=O)CC[NH+]1CCN(C(=O)c2cccc(C#CCO)c2)CC1 ZINC000900809061 586665830 /nfs/dbraw/zinc/66/58/30/586665830.db2.gz LEAWZXOLFRLSSG-QHCPKHFHSA-N 1 2 334.441 0.167 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1ccnn1C1CCC1 ZINC000901129959 586695653 /nfs/dbraw/zinc/69/56/53/586695653.db2.gz KLAVHURBOYCLNA-UHFFFAOYSA-N 1 2 336.465 0.738 20 30 ECEDLO C[NH+](C)C1(CS(=O)(=O)N2CCC3(CC2)CC(=O)C=CO3)CC1 ZINC000907513143 586731945 /nfs/dbraw/zinc/73/19/45/586731945.db2.gz RHVFDUPQHNKXKJ-UHFFFAOYSA-N 1 2 328.434 0.748 20 30 ECEDLO C#CCCOc1ccc(C[NH+]2CC(n3cc(C(N)=O)nn3)C2)cc1 ZINC000839141904 586839389 /nfs/dbraw/zinc/83/93/89/586839389.db2.gz ASOKFQSDJJIMKP-UHFFFAOYSA-N 1 2 325.372 0.836 20 30 ECEDLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000805474851 586911236 /nfs/dbraw/zinc/91/12/36/586911236.db2.gz SZOCWQSXUAAVDH-STQMWFEESA-N 1 2 349.412 0.989 20 30 ECEDLO CC[N@H+]1CCO[C@H](C(=O)O[C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000805474851 586911238 /nfs/dbraw/zinc/91/12/38/586911238.db2.gz SZOCWQSXUAAVDH-STQMWFEESA-N 1 2 349.412 0.989 20 30 ECEDLO N#Cc1cc(Cl)cc(Cn2cc(C[NH+](CCO)CCO)nn2)c1 ZINC000905835507 586916145 /nfs/dbraw/zinc/91/61/45/586916145.db2.gz DSZPKGHLLGWGJB-UHFFFAOYSA-N 1 2 335.795 0.638 20 30 ECEDLO C=CC[C@@H](NC(=O)C(=O)N(C)CC[NH+]1CCOCC1)c1ccncc1 ZINC000805811750 586940221 /nfs/dbraw/zinc/94/02/21/586940221.db2.gz QDCRJOCCZXSYHR-MRXNPFEDSA-N 1 2 346.431 0.606 20 30 ECEDLO C=CCOC[C@H]1NC(=O)N(Cc2ccc(-n3cc[nH+]c3)nc2)C1=O ZINC000804144129 587080115 /nfs/dbraw/zinc/08/01/15/587080115.db2.gz IXUOPBYODSEKMA-CYBMUJFWSA-N 1 2 327.344 0.890 20 30 ECEDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ncc(C#N)cc1Cl ZINC000807279854 587123364 /nfs/dbraw/zinc/12/33/64/587123364.db2.gz AEVIPUSZZXNSOM-NSHDSACASA-N 1 2 333.735 0.775 20 30 ECEDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000807283968 587124365 /nfs/dbraw/zinc/12/43/65/587124365.db2.gz MNBMNQTUIGKBQM-WFASDCNBSA-N 1 2 342.355 0.880 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[C@@H]1CCCO1 ZINC000809303833 587173175 /nfs/dbraw/zinc/17/31/75/587173175.db2.gz BZMYALKMHVMKSF-KBPBESRZSA-N 1 2 330.388 0.413 20 30 ECEDLO C[C@H](C(=O)O[C@H]1CCC[N@H+](Cc2ncccn2)C1)n1cnc(C#N)n1 ZINC000810741017 587202510 /nfs/dbraw/zinc/20/25/10/587202510.db2.gz VSDNIZFNCJRFMM-OLZOCXBDSA-N 1 2 341.375 0.709 20 30 ECEDLO C[C@H](C(=O)O[C@H]1CCC[N@@H+](Cc2ncccn2)C1)n1cnc(C#N)n1 ZINC000810741017 587202512 /nfs/dbraw/zinc/20/25/12/587202512.db2.gz VSDNIZFNCJRFMM-OLZOCXBDSA-N 1 2 341.375 0.709 20 30 ECEDLO N#Cc1cncc(S(=O)(=O)NC(=O)c2ccc3c[nH+]cn3c2)c1 ZINC000813985540 587267347 /nfs/dbraw/zinc/26/73/47/587267347.db2.gz FDQAGOAPCZUWIS-UHFFFAOYSA-N 1 2 327.325 0.720 20 30 ECEDLO COc1ccc(F)c(C=NNC(=S)NCC[NH+]2CCOCC2)c1 ZINC000814717573 587278941 /nfs/dbraw/zinc/27/89/41/587278941.db2.gz ZDTKHTXYOOKHDI-UHFFFAOYSA-N 1 2 340.424 0.965 20 30 ECEDLO CCOC(=O)C1(S(C)(=O)=O)CC[NH+](CCOCCC#N)CC1 ZINC000815117468 587282930 /nfs/dbraw/zinc/28/29/30/587282930.db2.gz QPJXOIUDVCPITO-UHFFFAOYSA-N 1 2 332.422 0.359 20 30 ECEDLO O=C(N[C@@H]1CCN(O)C1=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000820184771 587515671 /nfs/dbraw/zinc/51/56/71/587515671.db2.gz DPACJFNKROOQCK-CABCVRRESA-N 1 2 333.388 0.291 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](C)[C@@H]2CNC(=O)[O-])CC1 ZINC000823455512 587721480 /nfs/dbraw/zinc/72/14/80/587721480.db2.gz DGSPHQUKSRVJFA-GJZGRUSLSA-N 1 2 336.436 0.132 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2CNC(=O)[O-])CC1 ZINC000823455512 587721482 /nfs/dbraw/zinc/72/14/82/587721482.db2.gz DGSPHQUKSRVJFA-GJZGRUSLSA-N 1 2 336.436 0.132 20 30 ECEDLO C#CC[C@@H](NC(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1)C(=O)OC ZINC000823518735 587725939 /nfs/dbraw/zinc/72/59/39/587725939.db2.gz HYIJEEQXDLSJMA-HZPDHXFCSA-N 1 2 330.384 0.951 20 30 ECEDLO C#CC[C@@H](NC(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1)C(=O)OC ZINC000823518735 587725941 /nfs/dbraw/zinc/72/59/41/587725941.db2.gz HYIJEEQXDLSJMA-HZPDHXFCSA-N 1 2 330.384 0.951 20 30 ECEDLO C#CCCN1CC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000823845771 587745483 /nfs/dbraw/zinc/74/54/83/587745483.db2.gz XCEMTMKDMKKGGX-UHFFFAOYSA-N 1 2 326.404 0.886 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H](C[C@H]2COCCO2)C(F)(F)F)CC1 ZINC000827526849 588125380 /nfs/dbraw/zinc/12/53/80/588125380.db2.gz QCJYALFZPJGTIT-QWHCGFSZSA-N 1 2 334.338 0.748 20 30 ECEDLO C#C[C@H]([NH2+]Cc1nccn1S(=O)(=O)N(C)C)C1CCOCC1 ZINC000827559230 588128123 /nfs/dbraw/zinc/12/81/23/588128123.db2.gz CVTHOZJOJJNOGH-ZDUSSCGKSA-N 1 2 326.422 0.056 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3cc[nH]n3)n2C[C@@H]2CCOC2)CC1 ZINC000829898325 588347078 /nfs/dbraw/zinc/34/70/78/588347078.db2.gz DEJUFJZFRDDWPA-AWEZNQCLSA-N 1 2 341.419 0.460 20 30 ECEDLO C=C[C@H](C)ONC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000845638980 589166303 /nfs/dbraw/zinc/16/63/03/589166303.db2.gz MALJFZMWNSGCLH-NSHDSACASA-N 1 2 331.380 0.701 20 30 ECEDLO N#Cc1cccc(N2CCN(C(=O)/C=C/C[NH+]3CCOCC3)CC2)n1 ZINC000867415961 589198869 /nfs/dbraw/zinc/19/88/69/589198869.db2.gz MHNHSSMUDJMZCO-GORDUTHDSA-N 1 2 341.415 0.490 20 30 ECEDLO CCN1C[C@@H](C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)OC1=O ZINC000846815073 589225604 /nfs/dbraw/zinc/22/56/04/589225604.db2.gz IKFVWQOBKWZLKT-STQMWFEESA-N 1 2 330.392 0.699 20 30 ECEDLO CCN1C[C@@H](C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)OC1=O ZINC000846815073 589225605 /nfs/dbraw/zinc/22/56/05/589225605.db2.gz IKFVWQOBKWZLKT-STQMWFEESA-N 1 2 330.392 0.699 20 30 ECEDLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@H]1CCCN(O)C1=O ZINC000848134190 589279580 /nfs/dbraw/zinc/27/95/80/589279580.db2.gz PFEHDUTWJJUNJG-HNNXBMFYSA-N 1 2 328.372 0.970 20 30 ECEDLO C#C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000848287640 589286819 /nfs/dbraw/zinc/28/68/19/589286819.db2.gz SVPXIWZXYYOZPN-HZPDHXFCSA-N 1 2 333.432 0.039 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)C[C@@H](OC)[C@@H]2CCOC2)CC1 ZINC000849371837 589327294 /nfs/dbraw/zinc/32/72/94/589327294.db2.gz ALYYFVSYJCMOBM-HUUCEWRRSA-N 1 2 330.450 0.009 20 30 ECEDLO C#C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)C1CCOCC1 ZINC000852642177 589504428 /nfs/dbraw/zinc/50/44/28/589504428.db2.gz XVEUIVCEWJTWIC-UAGQMJEPSA-N 1 2 335.448 0.919 20 30 ECEDLO C=C[C@H](CO)[NH2+]CC1=NC(=O)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000852713953 589507158 /nfs/dbraw/zinc/50/71/58/589507158.db2.gz SDDULJKYMPMRMY-CZUORRHYSA-N 1 2 345.399 0.994 20 30 ECEDLO CCOC(=O)CON=C(C(=O)N[C@@H](C)c1[nH+]ccn1C)c1cc[nH]n1 ZINC000856279030 589659049 /nfs/dbraw/zinc/65/90/49/589659049.db2.gz AONHGPZVAYPVON-JTQLQIEISA-N 1 2 348.363 0.304 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000858355175 589743631 /nfs/dbraw/zinc/74/36/31/589743631.db2.gz IOFPUJIIDKYRBG-KBPBESRZSA-N 1 2 347.419 0.249 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(NS(C)(=O)=O)nc2)CC1 ZINC000859003433 589791924 /nfs/dbraw/zinc/79/19/24/589791924.db2.gz MTYQKHOJTMDXOK-UHFFFAOYSA-N 1 2 336.417 0.234 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000867569893 589807653 /nfs/dbraw/zinc/80/76/53/589807653.db2.gz ZLLAFWGGACAZLC-INIZCTEOSA-N 1 2 331.416 0.950 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000867569893 589807656 /nfs/dbraw/zinc/80/76/56/589807656.db2.gz ZLLAFWGGACAZLC-INIZCTEOSA-N 1 2 331.416 0.950 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)CC1 ZINC000859226374 589809144 /nfs/dbraw/zinc/80/91/44/589809144.db2.gz XSPWWTSTBMFTJG-JKQORVJESA-N 1 2 335.448 0.330 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)CC1 ZINC000859226374 589809145 /nfs/dbraw/zinc/80/91/45/589809145.db2.gz XSPWWTSTBMFTJG-JKQORVJESA-N 1 2 335.448 0.330 20 30 ECEDLO C#CC[C@H](COC)OC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C ZINC000861274054 589836526 /nfs/dbraw/zinc/83/65/26/589836526.db2.gz MHQAISQJUMAXCD-SNPRPXQTSA-N 1 2 349.387 0.290 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000862191515 589929330 /nfs/dbraw/zinc/92/93/30/589929330.db2.gz CCLOOVHNFBUTJW-ZDUSSCGKSA-N 1 2 332.404 0.939 20 30 ECEDLO COCC(COC)[NH+]1CCN(C(=O)[C@]2(C#N)CCCOC2)CC1 ZINC000868864762 589931592 /nfs/dbraw/zinc/93/15/92/589931592.db2.gz VIQYNCOZTPSLEA-INIZCTEOSA-N 1 2 325.409 0.112 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000119650726 590041153 /nfs/dbraw/zinc/04/11/53/590041153.db2.gz VDNHAVWZCIGFDY-UHFFFAOYSA-N 1 2 329.403 0.986 20 30 ECEDLO CC[C@@H](C(=O)N(CC#N)CCC(=O)OC)[N@@H+]1CCO[C@H](CC)C1 ZINC000871344669 590060857 /nfs/dbraw/zinc/06/08/57/590060857.db2.gz UUPRPWMXQASEHJ-KGLIPLIRSA-N 1 2 325.409 0.791 20 30 ECEDLO CC[C@@H](C(=O)N(CC#N)CCC(=O)OC)[N@H+]1CCO[C@H](CC)C1 ZINC000871344669 590060860 /nfs/dbraw/zinc/06/08/60/590060860.db2.gz UUPRPWMXQASEHJ-KGLIPLIRSA-N 1 2 325.409 0.791 20 30 ECEDLO CN(CCC#N)C[C@@H](O)C[NH+]1CC2(CC(=O)N2Cc2ccccc2)C1 ZINC000871990678 590095383 /nfs/dbraw/zinc/09/53/83/590095383.db2.gz DHBSUSAZRSYANR-QGZVFWFLSA-N 1 2 342.443 0.680 20 30 ECEDLO C[N@H+](CCC#N)C[C@@H](O)CN1CC2(CC(=O)N2Cc2ccccc2)C1 ZINC000871990678 590095385 /nfs/dbraw/zinc/09/53/85/590095385.db2.gz DHBSUSAZRSYANR-QGZVFWFLSA-N 1 2 342.443 0.680 20 30 ECEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1CC2(CC(=O)N2Cc2ccccc2)C1 ZINC000871990678 590095387 /nfs/dbraw/zinc/09/53/87/590095387.db2.gz DHBSUSAZRSYANR-QGZVFWFLSA-N 1 2 342.443 0.680 20 30 ECEDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c(C#N)c1 ZINC000872475801 590119575 /nfs/dbraw/zinc/11/95/75/590119575.db2.gz QRZDHQJOBRIWFM-ZIAGYGMSSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c(C#N)c1 ZINC000872475801 590119576 /nfs/dbraw/zinc/11/95/76/590119576.db2.gz QRZDHQJOBRIWFM-ZIAGYGMSSA-N 1 2 337.445 0.942 20 30 ECEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CN3CC4(COC4)CC3=O)C2)nc1 ZINC000872612932 590132933 /nfs/dbraw/zinc/13/29/33/590132933.db2.gz JKCDYUBDNOGPQX-CQSZACIVSA-N 1 2 328.372 0.613 20 30 ECEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CN3CC4(COC4)CC3=O)C2)nc1 ZINC000872612932 590132935 /nfs/dbraw/zinc/13/29/35/590132935.db2.gz JKCDYUBDNOGPQX-CQSZACIVSA-N 1 2 328.372 0.613 20 30 ECEDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccccc2CC#N)CC1 ZINC000865663171 590153712 /nfs/dbraw/zinc/15/37/12/590153712.db2.gz SDPKNKBMWNJEAS-UHFFFAOYSA-N 1 2 349.456 0.991 20 30 ECEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000874347462 590233313 /nfs/dbraw/zinc/23/33/13/590233313.db2.gz GVASFZMEKNKKLV-AWEZNQCLSA-N 1 2 348.378 0.863 20 30 ECEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000874347462 590233314 /nfs/dbraw/zinc/23/33/14/590233314.db2.gz GVASFZMEKNKKLV-AWEZNQCLSA-N 1 2 348.378 0.863 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000875042910 590264575 /nfs/dbraw/zinc/26/45/75/590264575.db2.gz BMZCQZUWGWSPBP-OAHLLOKOSA-N 1 2 344.415 0.453 20 30 ECEDLO C#CCOCCNC(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000875487590 590305295 /nfs/dbraw/zinc/30/52/95/590305295.db2.gz ZNTYVCJNGMQMSC-LSDHHAIUSA-N 1 2 330.388 0.196 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC(F)(F)[C@@H](C(=O)OCC)C1 ZINC000879371606 590308688 /nfs/dbraw/zinc/30/86/88/590308688.db2.gz TYQXMGZZMJTPGV-GHMZBOCLSA-N 1 2 347.362 0.907 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC(F)(F)[C@@H](C(=O)OCC)C1 ZINC000879371606 590308691 /nfs/dbraw/zinc/30/86/91/590308691.db2.gz TYQXMGZZMJTPGV-GHMZBOCLSA-N 1 2 347.362 0.907 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000875608955 590315909 /nfs/dbraw/zinc/31/59/09/590315909.db2.gz SUGDUPMDMHIODX-CQSZACIVSA-N 1 2 349.456 0.547 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)cc1 ZINC000879932969 590352848 /nfs/dbraw/zinc/35/28/48/590352848.db2.gz YVKVWWDQWGJJOJ-HZPDHXFCSA-N 1 2 347.440 0.541 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)cc1 ZINC000879932969 590352851 /nfs/dbraw/zinc/35/28/51/590352851.db2.gz YVKVWWDQWGJJOJ-HZPDHXFCSA-N 1 2 347.440 0.541 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000128437488 590393457 /nfs/dbraw/zinc/39/34/57/590393457.db2.gz MCAOFFNIBUGJAL-UHFFFAOYSA-N 1 2 347.440 0.618 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(C(=O)OCC)nc(C)n2)CC1 ZINC000881778370 590472619 /nfs/dbraw/zinc/47/26/19/590472619.db2.gz LREZZNLKXCRCSC-UHFFFAOYSA-N 1 2 347.419 0.386 20 30 ECEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000878505891 590525494 /nfs/dbraw/zinc/52/54/94/590525494.db2.gz VSOJFXJADHFUJW-KGLIPLIRSA-N 1 2 348.465 0.477 20 30 ECEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000878505891 590525496 /nfs/dbraw/zinc/52/54/96/590525496.db2.gz VSOJFXJADHFUJW-KGLIPLIRSA-N 1 2 348.465 0.477 20 30 ECEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000878621694 590531673 /nfs/dbraw/zinc/53/16/73/590531673.db2.gz NGMNQUZYSSAISF-GXTWGEPZSA-N 1 2 330.450 0.898 20 30 ECEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000878621694 590531675 /nfs/dbraw/zinc/53/16/75/590531675.db2.gz NGMNQUZYSSAISF-GXTWGEPZSA-N 1 2 330.450 0.898 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC[C@H]2CC(C)(C)CO2)CC1 ZINC000878737190 590539093 /nfs/dbraw/zinc/53/90/93/590539093.db2.gz GZDUUXDZPYMKGQ-INIZCTEOSA-N 1 2 349.475 0.865 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC[C@H]2CC(C)(C)CO2)CC1 ZINC000878737190 590539095 /nfs/dbraw/zinc/53/90/95/590539095.db2.gz GZDUUXDZPYMKGQ-INIZCTEOSA-N 1 2 349.475 0.865 20 30 ECEDLO C[C@@H]1C[NH+](CCn2cnc(Br)n2)C[C@@H](C)N1CC#N ZINC000878772283 590541307 /nfs/dbraw/zinc/54/13/07/590541307.db2.gz JSLAJIQVVLPFPN-GHMZBOCLSA-N 1 2 327.230 0.959 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCc2c(CC(N)=O)cccc2C1)C1CC1 ZINC000879229294 590572740 /nfs/dbraw/zinc/57/27/40/590572740.db2.gz SZZAXBWWXCFXBN-IBGZPJMESA-N 1 2 340.427 0.881 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCc2c(CC(N)=O)cccc2C1)C1CC1 ZINC000879229294 590572742 /nfs/dbraw/zinc/57/27/42/590572742.db2.gz SZZAXBWWXCFXBN-IBGZPJMESA-N 1 2 340.427 0.881 20 30 ECEDLO C=C(C)C[C@@H](CO)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000883372272 590614529 /nfs/dbraw/zinc/61/45/29/590614529.db2.gz UXXFIXXXCPELRH-AWEZNQCLSA-N 1 2 347.481 0.122 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000800073654 590709909 /nfs/dbraw/zinc/70/99/09/590709909.db2.gz YQSVOXDOVVFJSK-NWDGAFQWSA-N 1 2 345.494 0.432 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2csc(C(=O)OC)c2)C1 ZINC000885511421 590730286 /nfs/dbraw/zinc/73/02/86/590730286.db2.gz HZPBBIKWQBALQX-NSHDSACASA-N 1 2 342.442 0.911 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2csc(C(=O)OC)c2)C1 ZINC000885511421 590730288 /nfs/dbraw/zinc/73/02/88/590730288.db2.gz HZPBBIKWQBALQX-NSHDSACASA-N 1 2 342.442 0.911 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2OC)C1 ZINC000885512384 590730404 /nfs/dbraw/zinc/73/04/04/590730404.db2.gz VMEOEIZIQULIFY-CQSZACIVSA-N 1 2 333.413 0.943 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2OC)C1 ZINC000885512384 590730407 /nfs/dbraw/zinc/73/04/07/590730407.db2.gz VMEOEIZIQULIFY-CQSZACIVSA-N 1 2 333.413 0.943 20 30 ECEDLO N#CC1(C[C@@H](O)C[NH+]2CCN(C(=O)C(=O)N3CCCC3)CC2)CCC1 ZINC000885959318 590783626 /nfs/dbraw/zinc/78/36/26/590783626.db2.gz XRWMSUIMNXMGRI-OAHLLOKOSA-N 1 2 348.447 0.198 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(c2ncccc2F)CC1 ZINC000884378280 590816236 /nfs/dbraw/zinc/81/62/36/590816236.db2.gz NMKWRBGUWCBTEL-ZDUSSCGKSA-N 1 2 336.367 0.316 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CC2(CO1)CCOCC2 ZINC000884468507 590835158 /nfs/dbraw/zinc/83/51/58/590835158.db2.gz FGSBJKHZNGGVJQ-STQMWFEESA-N 1 2 326.393 0.135 20 30 ECEDLO C=CCC1(O)CC[NH+]([C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000886755972 590880278 /nfs/dbraw/zinc/88/02/78/590880278.db2.gz YHJYLMAHWMTPCC-ZIAGYGMSSA-N 1 2 344.477 0.423 20 30 ECEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000925585107 611488616 /nfs/dbraw/zinc/48/86/16/611488616.db2.gz MUKPTHOBIAWXNJ-GOEBONIOSA-N 1 2 335.452 0.479 20 30 ECEDLO COC(OC)C(=O)N1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000930959926 611489708 /nfs/dbraw/zinc/48/97/08/611489708.db2.gz DRIARQAHFNTGJY-UHFFFAOYSA-N 1 2 333.388 0.700 20 30 ECEDLO C#CC1(O)CC[NH+](CC(=O)N[C@@H](C(=O)NC)c2ccccc2)CC1 ZINC000931145006 611511125 /nfs/dbraw/zinc/51/11/25/611511125.db2.gz AGXXVEWRROXMEE-MRXNPFEDSA-N 1 2 329.400 0.050 20 30 ECEDLO COC1(OC)CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C[C@H]1O ZINC000931635553 611559161 /nfs/dbraw/zinc/55/91/61/611559161.db2.gz JSTTYLDJWFEMIH-SWLSCSKDSA-N 1 2 333.388 0.941 20 30 ECEDLO COC1(OC)CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C[C@H]1O ZINC000931635553 611559163 /nfs/dbraw/zinc/55/91/63/611559163.db2.gz JSTTYLDJWFEMIH-SWLSCSKDSA-N 1 2 333.388 0.941 20 30 ECEDLO CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000937354491 608611921 /nfs/dbraw/zinc/61/19/21/608611921.db2.gz ZYCFVSVUBGUOCN-HOTGVXAUSA-N 1 2 340.427 0.918 20 30 ECEDLO N#Cc1cc(C(=O)NC2CCN(C(=O)Cn3cc[nH+]c3)CC2)c[nH]1 ZINC000947275200 608712357 /nfs/dbraw/zinc/71/23/57/608712357.db2.gz NBZLWKLLVJHGCE-UHFFFAOYSA-N 1 2 326.360 0.504 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)[nH]1 ZINC000937486407 608815449 /nfs/dbraw/zinc/81/54/49/608815449.db2.gz RMKNZPUONBQPQV-AWEZNQCLSA-N 1 2 340.387 0.963 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1CCS(C)(=O)=O ZINC000947204924 608918663 /nfs/dbraw/zinc/91/86/63/608918663.db2.gz JIRXCMYFTSVJKX-AAEUAGOBSA-N 1 2 338.433 0.514 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1CCS(C)(=O)=O ZINC000947204924 608918664 /nfs/dbraw/zinc/91/86/64/608918664.db2.gz JIRXCMYFTSVJKX-AAEUAGOBSA-N 1 2 338.433 0.514 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)C[C@@H]1C ZINC000947308930 608944701 /nfs/dbraw/zinc/94/47/01/608944701.db2.gz BCFXDZHRRKTEIT-QWRGUYRKSA-N 1 2 343.229 0.551 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)C[C@@H]1C ZINC000947308930 608944702 /nfs/dbraw/zinc/94/47/02/608944702.db2.gz BCFXDZHRRKTEIT-QWRGUYRKSA-N 1 2 343.229 0.551 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cn1 ZINC000938179619 609493538 /nfs/dbraw/zinc/49/35/38/609493538.db2.gz AXFWHXXAGGIOBA-ARFHVFGLSA-N 1 2 349.394 0.920 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cn1 ZINC000938179619 609493540 /nfs/dbraw/zinc/49/35/40/609493540.db2.gz AXFWHXXAGGIOBA-ARFHVFGLSA-N 1 2 349.394 0.920 20 30 ECEDLO CN1CCN(S(=O)(=O)c2ccccc2CC#N)CC[N@H+](C)CC1 ZINC000907788834 609622117 /nfs/dbraw/zinc/62/21/17/609622117.db2.gz KWCSOOOCFGLHAU-UHFFFAOYSA-N 1 2 336.461 0.621 20 30 ECEDLO CN1CCN(S(=O)(=O)c2ccccc2CC#N)CC[N@@H+](C)CC1 ZINC000907788834 609622118 /nfs/dbraw/zinc/62/21/18/609622118.db2.gz KWCSOOOCFGLHAU-UHFFFAOYSA-N 1 2 336.461 0.621 20 30 ECEDLO Cc1nn(CCC#N)c(C)c1OS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000908389445 609652457 /nfs/dbraw/zinc/65/24/57/609652457.db2.gz JGXKGGMNORWDFV-CYBMUJFWSA-N 1 2 342.421 0.453 20 30 ECEDLO Cc1nn(CCC#N)c(C)c1OS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000908389445 609652458 /nfs/dbraw/zinc/65/24/58/609652458.db2.gz JGXKGGMNORWDFV-CYBMUJFWSA-N 1 2 342.421 0.453 20 30 ECEDLO Cn1cc([C@H]2CN(C(=O)COc3ccccc3C#N)CC[NH2+]2)cn1 ZINC000913474902 609679242 /nfs/dbraw/zinc/67/92/42/609679242.db2.gz HSPNXYIYRMOOMU-OAHLLOKOSA-N 1 2 325.372 0.844 20 30 ECEDLO CC[C@H]1C(=O)NCCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000933234528 611717019 /nfs/dbraw/zinc/71/70/19/611717019.db2.gz OOKGFCBCXZDXSR-INIZCTEOSA-N 1 2 339.395 0.887 20 30 ECEDLO CC[C@H]1C(=O)NCCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000933234528 611717022 /nfs/dbraw/zinc/71/70/22/611717022.db2.gz OOKGFCBCXZDXSR-INIZCTEOSA-N 1 2 339.395 0.887 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)Cc1csc(C#N)c1 ZINC000916181839 609933674 /nfs/dbraw/zinc/93/36/74/609933674.db2.gz GYGHVPZVNYPQJD-LLVKDONJSA-N 1 2 329.447 0.448 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)Cc1csc(C#N)c1 ZINC000916181839 609933676 /nfs/dbraw/zinc/93/36/76/609933676.db2.gz GYGHVPZVNYPQJD-LLVKDONJSA-N 1 2 329.447 0.448 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)cn1 ZINC000938779844 609995631 /nfs/dbraw/zinc/99/56/31/609995631.db2.gz JDXLAVLSXAYLDM-MRXNPFEDSA-N 1 2 337.383 0.633 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000938780533 609996722 /nfs/dbraw/zinc/99/67/22/609996722.db2.gz YFZFXMHEJACOJB-OAGGEKHMSA-N 1 2 346.431 0.924 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000912753628 610003519 /nfs/dbraw/zinc/00/35/19/610003519.db2.gz MUWLPWJBFFWFSI-MELADBBJSA-N 1 2 337.420 0.180 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000912753628 610003520 /nfs/dbraw/zinc/00/35/20/610003520.db2.gz MUWLPWJBFFWFSI-MELADBBJSA-N 1 2 337.420 0.180 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000938905215 610027051 /nfs/dbraw/zinc/02/70/51/610027051.db2.gz CWPHLKOZHWVHRV-AWEZNQCLSA-N 1 2 340.387 0.535 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000938908559 610032124 /nfs/dbraw/zinc/03/21/24/610032124.db2.gz TZRIMHVHOPKCNU-BMFZPTHFSA-N 1 2 346.431 0.613 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccnn3CC(C)C)CC2)C1 ZINC000941426695 610301147 /nfs/dbraw/zinc/30/11/47/610301147.db2.gz FZMUADVMURSWCM-UHFFFAOYSA-N 1 2 329.448 0.614 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)CN3CCCCCCC3=O)CC2)C1 ZINC000941428489 610303248 /nfs/dbraw/zinc/30/32/48/610303248.db2.gz QWZLHKFCNFZWGM-UHFFFAOYSA-N 1 2 346.475 0.241 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnc4[nH]c(C)nc4c3)CC2)C1 ZINC000941431621 610312609 /nfs/dbraw/zinc/31/26/09/610312609.db2.gz QOWQMBDBZQWVIA-UHFFFAOYSA-N 1 2 338.415 0.342 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3nc4cccnc4s3)CC2)C1 ZINC000941437689 610315252 /nfs/dbraw/zinc/31/52/52/610315252.db2.gz BMMOJBKWEFZNPP-UHFFFAOYSA-N 1 2 341.440 0.767 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3n[nH]c4ccc(C)cc43)CC2)C1 ZINC000941472444 610330464 /nfs/dbraw/zinc/33/04/64/610330464.db2.gz YBSMEDJUZVVCSP-UHFFFAOYSA-N 1 2 337.427 0.947 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@H](C)c3cnn(C)c3)CC2)C1 ZINC000941498431 610343683 /nfs/dbraw/zinc/34/36/83/610343683.db2.gz CVSCZHRRLKTLML-HNNXBMFYSA-N 1 2 329.448 0.375 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C[C@H](C)c3cnn(C)c3)CC2)C1 ZINC000941499491 610344109 /nfs/dbraw/zinc/34/41/09/610344109.db2.gz WBZAACZMXUVLCX-INIZCTEOSA-N 1 2 343.475 0.765 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3c(C)nn(C)c3C)CC2)C1 ZINC000941506642 610348263 /nfs/dbraw/zinc/34/82/63/610348263.db2.gz NTTWVRLFMWTJKM-UHFFFAOYSA-N 1 2 343.475 0.431 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCCN(C(=O)CCn3cc[nH+]c3)CC2)[nH]1 ZINC000940789114 610362907 /nfs/dbraw/zinc/36/29/07/610362907.db2.gz ADLINCMYXMVAME-UHFFFAOYSA-N 1 2 340.387 0.848 20 30 ECEDLO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCS2(=O)=O)C(C)(C)C1 ZINC000940795245 610377115 /nfs/dbraw/zinc/37/71/15/610377115.db2.gz HKSFAXCUDFXLJR-KGLIPLIRSA-N 1 2 326.462 0.804 20 30 ECEDLO C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCS2(=O)=O)C(C)(C)C1 ZINC000940795245 610377117 /nfs/dbraw/zinc/37/71/17/610377117.db2.gz HKSFAXCUDFXLJR-KGLIPLIRSA-N 1 2 326.462 0.804 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccnc(N(C)C)c3)CC2)C1 ZINC000941591883 610388111 /nfs/dbraw/zinc/38/81/11/610388111.db2.gz BNNPOAINVRPKBU-UHFFFAOYSA-N 1 2 341.459 0.613 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCCCN3C(C)=O)CC2)C1 ZINC000941601506 610402188 /nfs/dbraw/zinc/40/21/88/610402188.db2.gz RDCXQHHLNBMTIM-KRWDZBQOSA-N 1 2 346.475 0.239 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 ZINC000941655396 610430329 /nfs/dbraw/zinc/43/03/29/610430329.db2.gz WYQPMNAJRJAUDS-SFHVURJKSA-N 1 2 341.411 0.288 20 30 ECEDLO C#CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCCS2(=O)=O)C(C)(C)C1 ZINC000940914628 610431037 /nfs/dbraw/zinc/43/10/37/610431037.db2.gz NXSJGSDUXORAGW-KGLIPLIRSA-N 1 2 326.462 0.804 20 30 ECEDLO C#CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CCCS2(=O)=O)C(C)(C)C1 ZINC000940914628 610431039 /nfs/dbraw/zinc/43/10/39/610431039.db2.gz NXSJGSDUXORAGW-KGLIPLIRSA-N 1 2 326.462 0.804 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)C1 ZINC000941650461 610440385 /nfs/dbraw/zinc/44/03/85/610440385.db2.gz CZTUMTJLDIFOEE-UHFFFAOYSA-N 1 2 343.427 0.779 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)COc3ccccc3)CC2)C1 ZINC000941650789 610441040 /nfs/dbraw/zinc/44/10/40/610441040.db2.gz GJHQNVMNPIOOFH-UHFFFAOYSA-N 1 2 327.428 0.917 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](Cc3ccccc3)OC)CC2)C1 ZINC000941672579 610445790 /nfs/dbraw/zinc/44/57/90/610445790.db2.gz WXAZLKMIJGZEEO-LJQANCHMSA-N 1 2 341.455 0.706 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)C1 ZINC000941664765 610456011 /nfs/dbraw/zinc/45/60/11/610456011.db2.gz DYPAACQPUZREKZ-UHFFFAOYSA-N 1 2 341.411 0.533 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)COc3ccc(OC)cc3)CC2)C1 ZINC000941665432 610456476 /nfs/dbraw/zinc/45/64/76/610456476.db2.gz XVPIZCBKKLPJDO-UHFFFAOYSA-N 1 2 343.427 0.536 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ncccc3OCC)CC2)C1 ZINC000941693323 610466954 /nfs/dbraw/zinc/46/69/54/610466954.db2.gz UVRSADQNJFHICI-UHFFFAOYSA-N 1 2 342.443 0.946 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC(C)C)C[C@H]1OC ZINC000942513654 610492871 /nfs/dbraw/zinc/49/28/71/610492871.db2.gz WKWXPJRZZYWYEK-OWCLPIDISA-N 1 2 335.448 0.472 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC(C)C)C[C@H]1OC ZINC000942513654 610492873 /nfs/dbraw/zinc/49/28/73/610492873.db2.gz WKWXPJRZZYWYEK-OWCLPIDISA-N 1 2 335.448 0.472 20 30 ECEDLO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)C(C)(C)C1 ZINC000941068222 610524392 /nfs/dbraw/zinc/52/43/92/610524392.db2.gz NLNKFPHPVHSKHA-KGLIPLIRSA-N 1 2 326.462 0.661 20 30 ECEDLO C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)C(C)(C)C1 ZINC000941068222 610524394 /nfs/dbraw/zinc/52/43/94/610524394.db2.gz NLNKFPHPVHSKHA-KGLIPLIRSA-N 1 2 326.462 0.661 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)nc1 ZINC000941881375 610539967 /nfs/dbraw/zinc/53/99/67/610539967.db2.gz ABPDJBBEDZNESG-OAHLLOKOSA-N 1 2 337.383 0.750 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)nc1 ZINC000941881375 610539970 /nfs/dbraw/zinc/53/99/70/610539970.db2.gz ABPDJBBEDZNESG-OAHLLOKOSA-N 1 2 337.383 0.750 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)cn1 ZINC000941879482 610550161 /nfs/dbraw/zinc/55/01/61/610550161.db2.gz HITZYXVLSWIOEB-OAHLLOKOSA-N 1 2 337.383 0.370 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCCN(C(=O)Cc3[nH]cc[nH+]3)CC2)c1 ZINC000942080963 610641244 /nfs/dbraw/zinc/64/12/44/610641244.db2.gz KBZWUJHKLBESIU-UHFFFAOYSA-N 1 2 337.383 0.703 20 30 ECEDLO Cc1ccncc1C[NH+]1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC000941345572 610682998 /nfs/dbraw/zinc/68/29/98/610682998.db2.gz XOHBAGOOAAIJCR-OAHLLOKOSA-N 1 2 327.432 0.878 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nncn3C)C[C@@H]2C)nc1 ZINC000944191676 610775514 /nfs/dbraw/zinc/77/55/14/610775514.db2.gz DGASRJPVZXJQPZ-DZGCQCFKSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3nncn3C)C[C@@H]2C)nc1 ZINC000944191676 610775517 /nfs/dbraw/zinc/77/55/17/610775517.db2.gz DGASRJPVZXJQPZ-DZGCQCFKSA-N 1 2 338.415 0.832 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC000944427198 610868175 /nfs/dbraw/zinc/86/81/75/610868175.db2.gz BLKOKTMDDKRRQG-ZDUSSCGKSA-N 1 2 329.404 0.953 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ncccn3)C[C@H]2C)nn1 ZINC000943481977 610868876 /nfs/dbraw/zinc/86/88/76/610868876.db2.gz MRIJLMBUZASKRK-KGLIPLIRSA-N 1 2 341.419 0.895 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ncccn3)C[C@H]2C)nn1 ZINC000943481977 610868877 /nfs/dbraw/zinc/86/88/77/610868877.db2.gz MRIJLMBUZASKRK-KGLIPLIRSA-N 1 2 341.419 0.895 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3nnc(C)o3)C[C@@H]2C)nn1 ZINC000943483584 610869654 /nfs/dbraw/zinc/86/96/54/610869654.db2.gz YGVNLZHDPPZHLC-WCQYABFASA-N 1 2 345.407 0.796 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3nnc(C)o3)C[C@@H]2C)nn1 ZINC000943483584 610869655 /nfs/dbraw/zinc/86/96/55/610869655.db2.gz YGVNLZHDPPZHLC-WCQYABFASA-N 1 2 345.407 0.796 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)CCc1[nH+]ccn1C)CC2 ZINC000945001572 610876154 /nfs/dbraw/zinc/87/61/54/610876154.db2.gz PEXQCRVSLQGPJD-AWEZNQCLSA-N 1 2 343.431 0.963 20 30 ECEDLO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000945250237 610982136 /nfs/dbraw/zinc/98/21/36/610982136.db2.gz CPOGQDMFENRLDY-YPMHNXCESA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000944659785 611075752 /nfs/dbraw/zinc/07/57/52/611075752.db2.gz UYPVPVXOFGATMP-YPMHNXCESA-N 1 2 341.371 0.680 20 30 ECEDLO O=C(C#CC1CC1)N1CCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000944010819 611083618 /nfs/dbraw/zinc/08/36/18/611083618.db2.gz XBLRUIXWMVFIFQ-JKSUJKDBSA-N 1 2 340.427 0.966 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)Cn2cc[nH+]c2)c[nH]1 ZINC000946243948 611169438 /nfs/dbraw/zinc/16/94/38/611169438.db2.gz YPLLTAWAUAMAIS-WFASDCNBSA-N 1 2 340.387 0.798 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC000945974036 611169734 /nfs/dbraw/zinc/16/97/34/611169734.db2.gz AFZYBSXOOJKCCC-HZPDHXFCSA-N 1 2 326.400 0.746 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]2[C@@H](CCN2C(=O)C#CC2CC2)C1 ZINC000945991761 611184316 /nfs/dbraw/zinc/18/43/16/611184316.db2.gz JEJFIDPCPZAGHG-RDJZCZTQSA-N 1 2 340.427 0.825 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC000946023987 611199702 /nfs/dbraw/zinc/19/97/02/611199702.db2.gz CKCFWEAEWHPSHW-GJZGRUSLSA-N 1 2 326.400 0.815 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCS(C)(=O)=O)[C@H](C)C2)cn1 ZINC000947949040 611752955 /nfs/dbraw/zinc/75/29/55/611752955.db2.gz RGXWFCKGHHYNLC-CJNGLKHVSA-N 1 2 349.456 0.690 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCS(C)(=O)=O)[C@H](C)C2)cn1 ZINC000947949040 611752958 /nfs/dbraw/zinc/75/29/58/611752958.db2.gz RGXWFCKGHHYNLC-CJNGLKHVSA-N 1 2 349.456 0.690 20 30 ECEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(=O)n(C)n1 ZINC000948983077 611784836 /nfs/dbraw/zinc/78/48/36/611784836.db2.gz VXSYNDJLGOQGQT-QGZVFWFLSA-N 1 2 336.395 0.743 20 30 ECEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ccc(=O)n(C)n1 ZINC000948983077 611784838 /nfs/dbraw/zinc/78/48/38/611784838.db2.gz VXSYNDJLGOQGQT-QGZVFWFLSA-N 1 2 336.395 0.743 20 30 ECEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC000950624416 611800366 /nfs/dbraw/zinc/80/03/66/611800366.db2.gz MFQAWMUZFUDMPU-OLZOCXBDSA-N 1 2 334.338 0.889 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCOC2(CC[NH+](Cc3cnn(C)n3)CC2)C1 ZINC000949051444 611828830 /nfs/dbraw/zinc/82/88/30/611828830.db2.gz HNPHECQVRCIEBG-CYBMUJFWSA-N 1 2 332.408 0.168 20 30 ECEDLO CCc1nnc(C[NH+]2CCC3(CC2)CN(C(=O)[C@@H](C)C#N)CCO3)o1 ZINC000949051710 611829309 /nfs/dbraw/zinc/82/93/09/611829309.db2.gz ONBCCQCFLCKUIL-ZDUSSCGKSA-N 1 2 347.419 0.985 20 30 ECEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC000950731282 611867097 /nfs/dbraw/zinc/86/70/97/611867097.db2.gz NSJQGYMMNPOETK-UHFFFAOYSA-N 1 2 325.390 0.097 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3c(C)nc[nH]c3=O)CC2)C1 ZINC000949446797 611983490 /nfs/dbraw/zinc/98/34/90/611983490.db2.gz CZENPXSCDMBQJP-UHFFFAOYSA-N 1 2 330.388 0.431 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3c(C)nc[nH]c3=O)CC2)C1 ZINC000949446797 611983493 /nfs/dbraw/zinc/98/34/93/611983493.db2.gz CZENPXSCDMBQJP-UHFFFAOYSA-N 1 2 330.388 0.431 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[nH]1 ZINC000949449910 611985382 /nfs/dbraw/zinc/98/53/82/611985382.db2.gz TVHLGOSZJNXGPW-JHJVBQTASA-N 1 2 338.371 0.744 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[nH]1 ZINC000949449910 611985384 /nfs/dbraw/zinc/98/53/84/611985384.db2.gz TVHLGOSZJNXGPW-JHJVBQTASA-N 1 2 338.371 0.744 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000949452744 611986636 /nfs/dbraw/zinc/98/66/36/611986636.db2.gz OTZFSACINQQYQX-AWEZNQCLSA-N 1 2 340.387 0.583 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000950369157 611989280 /nfs/dbraw/zinc/98/92/80/611989280.db2.gz HNSNBDMDTCYIPD-IAQYHMDHSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000950369157 611989282 /nfs/dbraw/zinc/98/92/82/611989282.db2.gz HNSNBDMDTCYIPD-IAQYHMDHSA-N 1 2 340.387 0.819 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3nccn4ccnc34)CC2)C1 ZINC000949472779 611992642 /nfs/dbraw/zinc/99/26/42/611992642.db2.gz MXGOFVYPEXPLHA-UHFFFAOYSA-N 1 2 339.399 0.670 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3nccn4ccnc34)CC2)C1 ZINC000949472779 611992644 /nfs/dbraw/zinc/99/26/44/611992644.db2.gz MXGOFVYPEXPLHA-UHFFFAOYSA-N 1 2 339.399 0.670 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CCN2C(=O)CCc2c[nH]c[nH+]2)c[nH]1 ZINC000949486504 612000438 /nfs/dbraw/zinc/00/04/38/612000438.db2.gz YLIYOYQLFHASFI-AWEZNQCLSA-N 1 2 326.360 0.573 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CCN2C(=O)CCc2c[nH+]c[nH]2)c[nH]1 ZINC000949486504 612000440 /nfs/dbraw/zinc/00/04/40/612000440.db2.gz YLIYOYQLFHASFI-AWEZNQCLSA-N 1 2 326.360 0.573 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C(=O)N3CCC[C@H](C)C3)CC2)C1 ZINC000949489467 612003021 /nfs/dbraw/zinc/00/30/21/612003021.db2.gz FLXVILASQMOBFM-INIZCTEOSA-N 1 2 347.459 0.572 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C(=O)N3CCC[C@H](C)C3)CC2)C1 ZINC000949489467 612003024 /nfs/dbraw/zinc/00/30/24/612003024.db2.gz FLXVILASQMOBFM-INIZCTEOSA-N 1 2 347.459 0.572 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)Cc3cnn(CC)c3)CC2)C1 ZINC000949509505 612014732 /nfs/dbraw/zinc/01/47/32/612014732.db2.gz SPZHCVCUIWKHBD-UHFFFAOYSA-N 1 2 330.432 0.772 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)Cc3cnn(CC)c3)CC2)C1 ZINC000949509505 612014734 /nfs/dbraw/zinc/01/47/34/612014734.db2.gz SPZHCVCUIWKHBD-UHFFFAOYSA-N 1 2 330.432 0.772 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC000949528915 612021980 /nfs/dbraw/zinc/02/19/80/612021980.db2.gz FRNSKOVWVARZCJ-HNNXBMFYSA-N 1 2 342.443 0.841 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC000949528915 612021981 /nfs/dbraw/zinc/02/19/81/612021981.db2.gz FRNSKOVWVARZCJ-HNNXBMFYSA-N 1 2 342.443 0.841 20 30 ECEDLO N#Cc1cc(C(=O)N2CCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c[nH]1 ZINC000950517299 612049601 /nfs/dbraw/zinc/04/96/01/612049601.db2.gz LFVMPDSWPUJBFN-LBPRGKRZSA-N 1 2 326.360 0.573 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)[nH]1 ZINC000951250184 612104136 /nfs/dbraw/zinc/10/41/36/612104136.db2.gz IWXKQCKWUIKZMI-CYBMUJFWSA-N 1 2 326.360 0.504 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC000952946199 612135571 /nfs/dbraw/zinc/13/55/71/612135571.db2.gz KGTZVIUIMCTNBC-DYVFJYSZSA-N 1 2 329.404 0.953 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000951957603 612152543 /nfs/dbraw/zinc/15/25/43/612152543.db2.gz DPNHXFYPHOECOX-HNNXBMFYSA-N 1 2 337.383 0.750 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCN2C(=O)Cc2[nH]c[nH+]c2C)c1 ZINC000952014087 612176761 /nfs/dbraw/zinc/17/67/61/612176761.db2.gz FALMUCBKUDGYGK-HNNXBMFYSA-N 1 2 337.383 0.668 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC000953330283 612251965 /nfs/dbraw/zinc/25/19/65/612251965.db2.gz GELZBHIOSNGNBK-ZBFHGGJFSA-N 1 2 326.400 0.815 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)CC1 ZINC000951635672 612419319 /nfs/dbraw/zinc/41/93/19/612419319.db2.gz DCOFVBAVZYMVRW-DOTOQJQBSA-N 1 2 328.416 0.931 20 30 ECEDLO C[C@@]1(NC(=O)c2cc(C#N)c[nH]2)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000956804495 612567766 /nfs/dbraw/zinc/56/77/66/612567766.db2.gz SYHLFYPTKUKLLU-QGZVFWFLSA-N 1 2 340.387 0.963 20 30 ECEDLO C[C@@]1(NC(=O)c2cc(C#N)c[nH]2)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000956804495 612567768 /nfs/dbraw/zinc/56/77/68/612567768.db2.gz SYHLFYPTKUKLLU-QGZVFWFLSA-N 1 2 340.387 0.963 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000954079716 612639843 /nfs/dbraw/zinc/63/98/43/612639843.db2.gz DLKKRJMBQNFRAY-UHFFFAOYSA-N 1 2 340.387 0.870 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)Cn2cc[nH+]c2)cn1 ZINC000956078633 612682999 /nfs/dbraw/zinc/68/29/99/612682999.db2.gz VDTCVNISXWXEHM-INIZCTEOSA-N 1 2 337.383 0.680 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000954791214 612685370 /nfs/dbraw/zinc/68/53/70/612685370.db2.gz NYENTBFDMKBDEC-GFCCVEGCSA-N 1 2 338.371 0.710 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000955729695 612797851 /nfs/dbraw/zinc/79/78/51/612797851.db2.gz QOTHHLVCOPUUDM-STQMWFEESA-N 1 2 340.387 0.892 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000955797940 612845077 /nfs/dbraw/zinc/84/50/77/612845077.db2.gz PDRMIXYAVSMMDB-YPMHNXCESA-N 1 2 340.387 0.961 20 30 ECEDLO C=CCCn1cc(C(=O)N(C)C2CN(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC000954381434 612884798 /nfs/dbraw/zinc/88/47/98/612884798.db2.gz JOVIWMNIQFQCBD-UHFFFAOYSA-N 1 2 343.391 0.034 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC000091618563 612908327 /nfs/dbraw/zinc/90/83/27/612908327.db2.gz ZCRHLLBXUBUFGJ-OAHLLOKOSA-N 1 2 336.436 0.128 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC3(C2)OCCO3)CC1 ZINC000091618563 612908328 /nfs/dbraw/zinc/90/83/28/612908328.db2.gz ZCRHLLBXUBUFGJ-OAHLLOKOSA-N 1 2 336.436 0.128 20 30 ECEDLO CC(C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)CC1 ZINC000956581762 612917615 /nfs/dbraw/zinc/91/76/15/612917615.db2.gz PMCRAXBYEKYIOJ-INIZCTEOSA-N 1 2 343.431 0.901 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCN(C(C)=O)C2)CC1 ZINC000956594185 612921416 /nfs/dbraw/zinc/92/14/16/612921416.db2.gz LRMGFBVPWXSTEQ-IKGGRYGDSA-N 1 2 335.448 0.733 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)CC3(O)CCC3)C2)CC1 ZINC000956605375 612924559 /nfs/dbraw/zinc/92/45/59/612924559.db2.gz KCJZFKJFDFDPRS-GJZGRUSLSA-N 1 2 348.447 0.196 20 30 ECEDLO CC(C)N(CCN(C)c1cnc(C#N)cn1)C(=O)Cc1[nH]cc[nH+]1 ZINC001125567855 735481382 /nfs/dbraw/zinc/48/13/82/735481382.db2.gz GAKUHIPZMXFGPD-UHFFFAOYSA-N 1 2 327.392 0.987 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)C2)C1 ZINC000972394445 736114654 /nfs/dbraw/zinc/11/46/54/736114654.db2.gz HVDYNRNDLGGSMJ-MAUKXSAKSA-N 1 2 333.432 0.180 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)C2)C1 ZINC000972394445 736114657 /nfs/dbraw/zinc/11/46/57/736114657.db2.gz HVDYNRNDLGGSMJ-MAUKXSAKSA-N 1 2 333.432 0.180 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ncnn1C ZINC001024987222 738461522 /nfs/dbraw/zinc/46/15/22/738461522.db2.gz FYXJFYPPDJRHJG-CVEARBPZSA-N 1 2 344.463 0.383 20 30 ECEDLO N#Cc1cc(C(=O)N2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)c[nH]1 ZINC000972991894 738499168 /nfs/dbraw/zinc/49/91/68/738499168.db2.gz FBLCSOMLJGWQDD-IUODEOHRSA-N 1 2 338.371 0.456 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000969268412 731658215 /nfs/dbraw/zinc/65/82/15/731658215.db2.gz IOJPPHOKALFBLQ-ZQDZILKHSA-N 1 2 341.415 0.807 20 30 ECEDLO CCc1nc[nH]c1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001078097896 782298789 /nfs/dbraw/zinc/29/87/89/782298789.db2.gz PCHBJKCDBGRTST-ZIAGYGMSSA-N 1 2 345.428 0.880 20 30 ECEDLO CCc1nc[nH]c1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001078097896 782298796 /nfs/dbraw/zinc/29/87/96/782298796.db2.gz PCHBJKCDBGRTST-ZIAGYGMSSA-N 1 2 345.428 0.880 20 30 ECEDLO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(c1ccc(CC#N)c(C)[nH+]1)C2 ZINC001167198646 733047074 /nfs/dbraw/zinc/04/70/74/733047074.db2.gz YGDNTIAVIGGFEN-ZDUSSCGKSA-N 1 2 349.412 0.623 20 30 ECEDLO N#CCN1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C2)C1 ZINC001041839785 782317832 /nfs/dbraw/zinc/31/78/32/782317832.db2.gz QTZCQWDWOZSZJO-AEFFLSMTSA-N 1 2 332.448 0.545 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NCC[NH2+]Cc2nc(-c3ccncn3)no2)c1 ZINC001125360509 733172398 /nfs/dbraw/zinc/17/23/98/733172398.db2.gz FUKWBSUWYQCQKD-UHFFFAOYSA-N 1 2 338.331 0.246 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nncs3)C2)nn1 ZINC000970224582 733235714 /nfs/dbraw/zinc/23/57/14/733235714.db2.gz SQVFCIZEARMATB-LLVKDONJSA-N 1 2 333.421 0.710 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(Cl)nc3ccccn32)C1 ZINC001078133077 782351721 /nfs/dbraw/zinc/35/17/21/782351721.db2.gz YHMGNIJQIRSIAY-VXGBXAGGSA-N 1 2 332.791 0.786 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(Cl)nc3ccccn32)C1 ZINC001078133077 782351730 /nfs/dbraw/zinc/35/17/30/782351730.db2.gz YHMGNIJQIRSIAY-VXGBXAGGSA-N 1 2 332.791 0.786 20 30 ECEDLO N#Cc1ccc(NCCN(CCO)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)nc1 ZINC001111583522 733840267 /nfs/dbraw/zinc/84/02/67/733840267.db2.gz AHNQAOOBFKRETP-ZIAGYGMSSA-N 1 2 340.387 0.713 20 30 ECEDLO N#Cc1ccc(NCCN(CCO)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)nc1 ZINC001111583522 733840274 /nfs/dbraw/zinc/84/02/74/733840274.db2.gz AHNQAOOBFKRETP-ZIAGYGMSSA-N 1 2 340.387 0.713 20 30 ECEDLO C[C@H](CNC(=O)CCc1[nH+]ccn1C)CNc1ccc(C#N)nn1 ZINC001104289269 733914082 /nfs/dbraw/zinc/91/40/82/733914082.db2.gz MBWIWYIRBOLSKK-LBPRGKRZSA-N 1 2 327.392 0.879 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)C2CCN(C(N)=O)CC2)C1 ZINC000970860610 734022788 /nfs/dbraw/zinc/02/27/88/734022788.db2.gz KMOQOUWODSOMDC-NSHDSACASA-N 1 2 328.844 0.966 20 30 ECEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971044460 734204951 /nfs/dbraw/zinc/20/49/51/734204951.db2.gz GSPYCHMBGJJSGU-HNNXBMFYSA-N 1 2 343.366 0.417 20 30 ECEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000971044460 734204953 /nfs/dbraw/zinc/20/49/53/734204953.db2.gz GSPYCHMBGJJSGU-HNNXBMFYSA-N 1 2 343.366 0.417 20 30 ECEDLO Cc1nsc(N2CCO[C@H](CNC(=O)Cn3cc[nH+]c3)C2)c1C#N ZINC001104321448 734296596 /nfs/dbraw/zinc/29/65/96/734296596.db2.gz FGWNMMSWHFWIPQ-GFCCVEGCSA-N 1 2 346.416 0.541 20 30 ECEDLO N#Cc1c(F)cccc1N1CCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001104326084 734322170 /nfs/dbraw/zinc/32/21/70/734322170.db2.gz DSHQGFWYMTYDCQ-LBPRGKRZSA-N 1 2 343.362 0.985 20 30 ECEDLO CC(C)(C(=O)N(CCO)CCNc1ncccc1C#N)c1c[nH+]c[nH]1 ZINC001111489088 734402772 /nfs/dbraw/zinc/40/27/72/734402772.db2.gz ICGJUYAFURMQSK-UHFFFAOYSA-N 1 2 342.403 0.887 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N(CCO)CCNc1cccc(F)c1C#N ZINC001111489276 734408898 /nfs/dbraw/zinc/40/88/98/734408898.db2.gz QYDCKXSOQAAVJD-UHFFFAOYSA-N 1 2 345.378 0.906 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3nc(C)ncc3Cl)[C@H]2C1 ZINC001083215240 734420210 /nfs/dbraw/zinc/42/02/10/734420210.db2.gz NMKOEGMPDHVFBI-UONOGXRCSA-N 1 2 334.807 0.987 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3nc(C)ncc3Cl)[C@H]2C1 ZINC001083215240 734420214 /nfs/dbraw/zinc/42/02/14/734420214.db2.gz NMKOEGMPDHVFBI-UONOGXRCSA-N 1 2 334.807 0.987 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000971373229 734484250 /nfs/dbraw/zinc/48/42/50/734484250.db2.gz CZUKWOKZLIBDDS-SNVBAGLBSA-N 1 2 344.213 0.425 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000971373229 734484252 /nfs/dbraw/zinc/48/42/52/734484252.db2.gz CZUKWOKZLIBDDS-SNVBAGLBSA-N 1 2 344.213 0.425 20 30 ECEDLO C=CCC[NH2+]CC1(CCNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001167466122 734635876 /nfs/dbraw/zinc/63/58/76/734635876.db2.gz CFOQYBVCBHBZOY-UHFFFAOYSA-N 1 2 344.419 0.523 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)CCc3cnc[nH]3)C2)C1=O ZINC000971651207 734879428 /nfs/dbraw/zinc/87/94/28/734879428.db2.gz HHEHISSTFADXFD-HOTGVXAUSA-N 1 2 345.447 0.662 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)CCc3cnc[nH]3)C2)C1=O ZINC000971651207 734879429 /nfs/dbraw/zinc/87/94/29/734879429.db2.gz HHEHISSTFADXFD-HOTGVXAUSA-N 1 2 345.447 0.662 20 30 ECEDLO C=CCCC(=O)N[C@@H](C)CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001078191920 782468878 /nfs/dbraw/zinc/46/88/78/782468878.db2.gz YBINPGAAYZEWQF-WFASDCNBSA-N 1 2 349.435 0.434 20 30 ECEDLO C=CCCC(=O)N[C@@H](C)CCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001078191920 782468883 /nfs/dbraw/zinc/46/88/83/782468883.db2.gz YBINPGAAYZEWQF-WFASDCNBSA-N 1 2 349.435 0.434 20 30 ECEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC000971860718 735265560 /nfs/dbraw/zinc/26/55/60/735265560.db2.gz DDGZWSGWVYDLMR-JTQLQIEISA-N 1 2 347.824 0.826 20 30 ECEDLO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC000971860718 735265563 /nfs/dbraw/zinc/26/55/63/735265563.db2.gz DDGZWSGWVYDLMR-JTQLQIEISA-N 1 2 347.824 0.826 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC000972089670 735630941 /nfs/dbraw/zinc/63/09/41/735630941.db2.gz PQDRFENLKBICCZ-HZPDHXFCSA-N 1 2 326.400 0.746 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccc[nH]3)C2)cc1F ZINC001078208803 782495117 /nfs/dbraw/zinc/49/51/17/782495117.db2.gz ZVFJQONPABSELO-IAGOWNOFSA-N 1 2 342.374 0.929 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccc[nH]3)C2)cc1F ZINC001078208803 782495121 /nfs/dbraw/zinc/49/51/21/782495121.db2.gz ZVFJQONPABSELO-IAGOWNOFSA-N 1 2 342.374 0.929 20 30 ECEDLO CCN(CCNC(=O)CCc1c[nH+]cn1C)c1cnc(C#N)cn1 ZINC001100582267 735772477 /nfs/dbraw/zinc/77/24/77/735772477.db2.gz BGYQZSGDJGWHTF-UHFFFAOYSA-N 1 2 327.392 0.657 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC000972217779 735799941 /nfs/dbraw/zinc/79/99/41/735799941.db2.gz WRSCYODJEUWUSP-JTQLQIEISA-N 1 2 330.226 0.693 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC000972217779 735799938 /nfs/dbraw/zinc/79/99/38/735799938.db2.gz WRSCYODJEUWUSP-JTQLQIEISA-N 1 2 330.226 0.693 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@]2(C1)C[N@H+](CCN1CCCC1=O)CCO2 ZINC000972373936 736033107 /nfs/dbraw/zinc/03/31/07/736033107.db2.gz ODTFRSNQYUEVNG-IBGZPJMESA-N 1 2 345.443 0.326 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@]2(C1)C[N@@H+](CCN1CCCC1=O)CCO2 ZINC000972373936 736033111 /nfs/dbraw/zinc/03/31/11/736033111.db2.gz ODTFRSNQYUEVNG-IBGZPJMESA-N 1 2 345.443 0.326 20 30 ECEDLO N#CCN1CCO[C@@]2(CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)C2)C1 ZINC000972392928 736109680 /nfs/dbraw/zinc/10/96/80/736109680.db2.gz OLHQMTVIAXLVEQ-SFHVURJKSA-N 1 2 343.431 0.589 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3cc(C4CC4)nn3)C2)C1 ZINC000972407778 736137688 /nfs/dbraw/zinc/13/76/88/736137688.db2.gz HCXMLWWJVTZPKF-QGZVFWFLSA-N 1 2 331.420 0.645 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3cc(C4CC4)nn3)C2)C1 ZINC000972407778 736137689 /nfs/dbraw/zinc/13/76/89/736137689.db2.gz HCXMLWWJVTZPKF-QGZVFWFLSA-N 1 2 331.420 0.645 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nccn4C3)C2)C1 ZINC000972440154 736198682 /nfs/dbraw/zinc/19/86/82/736198682.db2.gz CLBFALQSMDLTQQ-APWZRJJASA-N 1 2 342.443 0.772 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nccn4C3)C2)C1 ZINC000972440154 736198685 /nfs/dbraw/zinc/19/86/85/736198685.db2.gz CLBFALQSMDLTQQ-APWZRJJASA-N 1 2 342.443 0.772 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4cncn4C3)C2)C1 ZINC000972441919 736205176 /nfs/dbraw/zinc/20/51/76/736205176.db2.gz WLVNGRLFHXODIL-QAPCUYQASA-N 1 2 330.432 0.935 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4cncn4C3)C2)C1 ZINC000972441919 736205180 /nfs/dbraw/zinc/20/51/80/736205180.db2.gz WLVNGRLFHXODIL-QAPCUYQASA-N 1 2 330.432 0.935 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 ZINC000972450328 736232057 /nfs/dbraw/zinc/23/20/57/736232057.db2.gz SBXFEOTWDUEJKD-GOSISDBHSA-N 1 2 345.399 0.956 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 ZINC000972450328 736232060 /nfs/dbraw/zinc/23/20/60/736232060.db2.gz SBXFEOTWDUEJKD-GOSISDBHSA-N 1 2 345.399 0.956 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 ZINC000972450329 736232161 /nfs/dbraw/zinc/23/21/61/736232161.db2.gz SBXFEOTWDUEJKD-SFHVURJKSA-N 1 2 345.399 0.956 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 ZINC000972450329 736232165 /nfs/dbraw/zinc/23/21/65/736232165.db2.gz SBXFEOTWDUEJKD-SFHVURJKSA-N 1 2 345.399 0.956 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H](C)OC2(CC[NH+](Cc3cnon3)CC2)C1 ZINC001098574303 736400295 /nfs/dbraw/zinc/40/02/95/736400295.db2.gz HESBYFPNZZBENC-STQMWFEESA-N 1 2 333.392 0.811 20 30 ECEDLO Cc1nc(N(C)C)nc(NC[C@H](C)N(C)C(=O)CSCC#N)[nH+]1 ZINC001104463861 736434284 /nfs/dbraw/zinc/43/42/84/736434284.db2.gz HKMWTUVJLJBQPX-JTQLQIEISA-N 1 2 337.453 0.762 20 30 ECEDLO Cc1nnc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)[nH]1 ZINC001023318795 736678596 /nfs/dbraw/zinc/67/85/96/736678596.db2.gz NQQMFRATPHPAPP-GFCCVEGCSA-N 1 2 327.392 0.955 20 30 ECEDLO Cc1nnc(C[N@H+]2CCC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)[nH]1 ZINC001023318795 736678598 /nfs/dbraw/zinc/67/85/98/736678598.db2.gz NQQMFRATPHPAPP-GFCCVEGCSA-N 1 2 327.392 0.955 20 30 ECEDLO Cn1ncc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001023319058 736679227 /nfs/dbraw/zinc/67/92/27/736679227.db2.gz SOJGAZCLZFDKEZ-LBPRGKRZSA-N 1 2 327.392 0.657 20 30 ECEDLO Cn1ncc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001023319058 736679231 /nfs/dbraw/zinc/67/92/31/736679231.db2.gz SOJGAZCLZFDKEZ-LBPRGKRZSA-N 1 2 327.392 0.657 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3ccc(C)cc3=O)C2)C1 ZINC000972581176 736939041 /nfs/dbraw/zinc/93/90/41/736939041.db2.gz GFWWKUSVJGPBFB-GOSISDBHSA-N 1 2 331.416 0.646 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3ccc(C)cc3=O)C2)C1 ZINC000972581176 736939042 /nfs/dbraw/zinc/93/90/42/736939042.db2.gz GFWWKUSVJGPBFB-GOSISDBHSA-N 1 2 331.416 0.646 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CCC(C)CC3)C2)C1 ZINC000972585039 736960900 /nfs/dbraw/zinc/96/09/00/736960900.db2.gz GFGWNUFRPKOMHV-LJQANCHMSA-N 1 2 347.459 0.572 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CCC(C)CC3)C2)C1 ZINC000972585039 736960904 /nfs/dbraw/zinc/96/09/04/736960904.db2.gz GFGWNUFRPKOMHV-LJQANCHMSA-N 1 2 347.459 0.572 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cnn(C)n3)C2)nn1 ZINC001023637804 737124155 /nfs/dbraw/zinc/12/41/55/737124155.db2.gz SHXWPUQHSMTMSJ-CYBMUJFWSA-N 1 2 344.423 0.235 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3cnn(C)n3)C2)nn1 ZINC001023637804 737124158 /nfs/dbraw/zinc/12/41/58/737124158.db2.gz SHXWPUQHSMTMSJ-CYBMUJFWSA-N 1 2 344.423 0.235 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)CCN(C(C)=O)C3)C2)C1 ZINC000972628114 737151242 /nfs/dbraw/zinc/15/12/42/737151242.db2.gz NZTDKJKJGLBWLP-RTBURBONSA-N 1 2 347.459 0.572 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)CCN(C(C)=O)C3)C2)C1 ZINC000972628114 737151244 /nfs/dbraw/zinc/15/12/44/737151244.db2.gz NZTDKJKJGLBWLP-RTBURBONSA-N 1 2 347.459 0.572 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cnn(C)n3)C2)nc1 ZINC001023709151 737227507 /nfs/dbraw/zinc/22/75/07/737227507.db2.gz PPXSXVBYARJAFJ-HNNXBMFYSA-N 1 2 338.415 0.833 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cnn(C)n3)C2)nc1 ZINC001023709151 737227508 /nfs/dbraw/zinc/22/75/08/737227508.db2.gz PPXSXVBYARJAFJ-HNNXBMFYSA-N 1 2 338.415 0.833 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnn(CCOC)c3)C2)C1 ZINC000972658430 737267753 /nfs/dbraw/zinc/26/77/53/737267753.db2.gz FUXIFDVEEMPVCO-GOSISDBHSA-N 1 2 346.431 0.470 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnn(CCOC)c3)C2)C1 ZINC000972658430 737267758 /nfs/dbraw/zinc/26/77/58/737267758.db2.gz FUXIFDVEEMPVCO-GOSISDBHSA-N 1 2 346.431 0.470 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC(=O)N3C)C2)C1 ZINC000972659584 737270515 /nfs/dbraw/zinc/27/05/15/737270515.db2.gz OFIHTSFBZLGRSV-MAUKXSAKSA-N 1 2 333.432 0.324 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC(=O)N3C)C2)C1 ZINC000972659584 737270518 /nfs/dbraw/zinc/27/05/18/737270518.db2.gz OFIHTSFBZLGRSV-MAUKXSAKSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)n3nc(C)cc3C)C2)C1 ZINC000972695189 737404636 /nfs/dbraw/zinc/40/46/36/737404636.db2.gz HJMWZPDNHJRPQY-AEFFLSMTSA-N 1 2 330.432 0.997 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)n3nc(C)cc3C)C2)C1 ZINC000972695189 737404637 /nfs/dbraw/zinc/40/46/37/737404637.db2.gz HJMWZPDNHJRPQY-AEFFLSMTSA-N 1 2 330.432 0.997 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(CC)CC)C[C@H]1O ZINC001024358349 737920659 /nfs/dbraw/zinc/92/06/59/737920659.db2.gz IWGRNWINDSGMDB-OWCLPIDISA-N 1 2 349.475 0.598 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(CC)CC)C[C@H]1O ZINC001024358349 737920665 /nfs/dbraw/zinc/92/06/65/737920665.db2.gz IWGRNWINDSGMDB-OWCLPIDISA-N 1 2 349.475 0.598 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001024490395 738017641 /nfs/dbraw/zinc/01/76/41/738017641.db2.gz DLNDNIRHVSTOHV-CUOATXAZSA-N 1 2 327.344 0.024 20 30 ECEDLO CC(C)C#CC(=O)N1CCO[C@@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC001111945906 738372137 /nfs/dbraw/zinc/37/21/37/738372137.db2.gz XSDOPIGYWOGNKZ-ZDUSSCGKSA-N 1 2 342.403 0.662 20 30 ECEDLO Cn1nnc(C[NH2+]C[C@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)n1 ZINC001024916448 738393978 /nfs/dbraw/zinc/39/39/78/738393978.db2.gz LQSPLENCYYNEJK-GFCCVEGCSA-N 1 2 328.380 0.194 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3cccc(C)c3)[C@@H](O)C2)C1=O ZINC001083321950 751414284 /nfs/dbraw/zinc/41/42/84/751414284.db2.gz JROPYBHVOMSNPS-ZACQAIPSSA-N 1 2 343.427 0.557 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3cccc(C)c3)[C@@H](O)C2)C1=O ZINC001083321950 751414290 /nfs/dbraw/zinc/41/42/90/751414290.db2.gz JROPYBHVOMSNPS-ZACQAIPSSA-N 1 2 343.427 0.557 20 30 ECEDLO C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCS3(=O)=O)[C@H]2C1 ZINC001083280053 739232941 /nfs/dbraw/zinc/23/29/41/739232941.db2.gz BQUOJOFDJBDFRY-RRFJBIMHSA-N 1 2 342.461 0.441 20 30 ECEDLO C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCS3(=O)=O)[C@H]2C1 ZINC001083280053 739232944 /nfs/dbraw/zinc/23/29/44/739232944.db2.gz BQUOJOFDJBDFRY-RRFJBIMHSA-N 1 2 342.461 0.441 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccn(C)n2)nn1 ZINC001028191804 751428693 /nfs/dbraw/zinc/42/86/93/751428693.db2.gz BVAPTWVHDGSLAZ-HNNXBMFYSA-N 1 2 343.435 0.982 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccn(C)n2)nn1 ZINC001028191804 751428695 /nfs/dbraw/zinc/42/86/95/751428695.db2.gz BVAPTWVHDGSLAZ-HNNXBMFYSA-N 1 2 343.435 0.982 20 30 ECEDLO CC(C)C[C@H](C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)n1cc[nH+]c1 ZINC001058658572 739906697 /nfs/dbraw/zinc/90/66/97/739906697.db2.gz GLJGTSNKGIXIDM-HUUCEWRRSA-N 1 2 349.435 0.567 20 30 ECEDLO CC(C)C[C@@H](CNc1ccnc(C#N)n1)NC(=O)Cc1c[nH+]cn1C ZINC001104953595 741016665 /nfs/dbraw/zinc/01/66/65/741016665.db2.gz HRRBJPYWGUNBNM-ZDUSSCGKSA-N 1 2 341.419 0.689 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CCN1c1cnc(C#N)cn1 ZINC001067541912 741033329 /nfs/dbraw/zinc/03/33/29/741033329.db2.gz FQFBDUNZQCDMTQ-CHWSQXEVSA-N 1 2 339.403 0.798 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)nc1 ZINC000974343626 741359336 /nfs/dbraw/zinc/35/93/36/741359336.db2.gz NTQJGLHLRXMIJY-OKILXGFUSA-N 1 2 337.383 0.714 20 30 ECEDLO C=CCCC(=O)N1CC(n2cc(C[NH2+]CC(=O)NC(C)(C)C)nn2)C1 ZINC001105185662 741448969 /nfs/dbraw/zinc/44/89/69/741448969.db2.gz PFNSISBNEIUQJW-UHFFFAOYSA-N 1 2 348.451 0.632 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccncc3F)C2)nn1 ZINC001105199725 741462553 /nfs/dbraw/zinc/46/25/53/741462553.db2.gz CUEJUQWYDNRUNR-UHFFFAOYSA-N 1 2 328.351 0.622 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCO[C@@H]3C)C2)nn1 ZINC001105225512 741507202 /nfs/dbraw/zinc/50/72/02/741507202.db2.gz WEVBRUFMDIQZPQ-CZUORRHYSA-N 1 2 331.420 0.589 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCc4cn[nH]c43)C2)nn1 ZINC001105240343 741531155 /nfs/dbraw/zinc/53/11/55/741531155.db2.gz IWRYUHMXRLGHJP-OAHLLOKOSA-N 1 2 339.403 0.227 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(C4CCC4)nn3)C2)nn1 ZINC001105242693 741539348 /nfs/dbraw/zinc/53/93/48/741539348.db2.gz DCOLXFHDIAIWKM-UHFFFAOYSA-N 1 2 340.391 0.015 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)c3ccnn3C)C2)nn1 ZINC001105242730 741539450 /nfs/dbraw/zinc/53/94/50/741539450.db2.gz FQZYUVUEIBOQTN-CYBMUJFWSA-N 1 2 341.419 0.312 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cn4c(n3)CCC4)C2)nn1 ZINC001105242826 741543443 /nfs/dbraw/zinc/54/34/43/741543443.db2.gz KHBIUZYNIDUFCX-UHFFFAOYSA-N 1 2 339.403 0.231 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)Cn3ccc(C)n3)C2)nn1 ZINC001105249079 741552136 /nfs/dbraw/zinc/55/21/36/741552136.db2.gz IEBBQNZLIAWWLD-CYBMUJFWSA-N 1 2 341.419 0.225 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[C@H](CC)O3)C2)nn1 ZINC001105253843 741567603 /nfs/dbraw/zinc/56/76/03/741567603.db2.gz HKNAZPSZYPYYDW-HOTGVXAUSA-N 1 2 331.420 0.732 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C4CC4)n(C)n3)C2)nn1 ZINC001105256730 741571554 /nfs/dbraw/zinc/57/15/54/741571554.db2.gz PSUMQLIYIDXHBB-UHFFFAOYSA-N 1 2 339.403 0.309 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CC(C)(C)CO3)C2)nn1 ZINC001105280999 741639358 /nfs/dbraw/zinc/63/93/58/741639358.db2.gz PDSAIYKEGXZRFL-INIZCTEOSA-N 1 2 345.447 0.980 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)CC3(C)CC3)C2)nn1 ZINC001105283312 741640979 /nfs/dbraw/zinc/64/09/79/741640979.db2.gz JVIJKFZNAJIITR-UHFFFAOYSA-N 1 2 331.420 0.591 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C3(COC)CCC3)C2)nn1 ZINC001105285083 741644320 /nfs/dbraw/zinc/64/43/20/741644320.db2.gz CMBVHXWFKCAFIY-UHFFFAOYSA-N 1 2 331.420 0.591 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)CCC(F)F)C2)nn1 ZINC001105285423 741645395 /nfs/dbraw/zinc/64/53/95/741645395.db2.gz NCOFBRJCSLDQRV-UHFFFAOYSA-N 1 2 341.362 0.446 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@]3(C)CCO[C@@H]3C)C2)nn1 ZINC001105289421 741652949 /nfs/dbraw/zinc/65/29/49/741652949.db2.gz COIPLGAQRDVQOO-CXAGYDPISA-N 1 2 331.420 0.589 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC(n2cc(C[NH2+][C@H](CC)C(N)=O)nn2)C1 ZINC001105299363 741682066 /nfs/dbraw/zinc/68/20/66/741682066.db2.gz UANWKAJYRMYHOP-CQSZACIVSA-N 1 2 348.451 0.617 20 30 ECEDLO C#CCCCCCC(=O)N1CC(n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001105301892 741692790 /nfs/dbraw/zinc/69/27/90/741692790.db2.gz YESYJKUWAQABPN-CYBMUJFWSA-N 1 2 346.435 0.209 20 30 ECEDLO CCC1(C(=O)N2CC(n3cc(C[NH2+]CC#CCOC)nn3)C2)CCC1 ZINC001105305452 741699880 /nfs/dbraw/zinc/69/98/80/741699880.db2.gz CQDHBGVONBJPHL-UHFFFAOYSA-N 1 2 345.447 0.981 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)nn1 ZINC001105308821 741711010 /nfs/dbraw/zinc/71/10/10/741711010.db2.gz ZMXNKIIPVRXWFD-FICVDOATSA-N 1 2 343.431 0.447 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[C@@H](F)C3)C2)nn1 ZINC001105314355 741735080 /nfs/dbraw/zinc/73/50/80/741735080.db2.gz QJTIQWIOXYYZRZ-UONOGXRCSA-N 1 2 349.410 0.539 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H](C[NH2+]Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001026834693 741929605 /nfs/dbraw/zinc/92/96/05/741929605.db2.gz KSBLCVQYKNUBRT-CQSZACIVSA-N 1 2 339.399 0.374 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)C(C)(C)C1 ZINC000974758563 742141915 /nfs/dbraw/zinc/14/19/15/742141915.db2.gz MVZMSZAIBSLNNS-LLVKDONJSA-N 1 2 327.816 0.161 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)C(C)(C)C1 ZINC000974758563 742141916 /nfs/dbraw/zinc/14/19/16/742141916.db2.gz MVZMSZAIBSLNNS-LLVKDONJSA-N 1 2 327.816 0.161 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccn(C(C)C)n3)C2)nn1 ZINC001105336715 742385123 /nfs/dbraw/zinc/38/51/23/742385123.db2.gz KIIAFRHHDWAPTB-UHFFFAOYSA-N 1 2 327.392 0.475 20 30 ECEDLO COCCN(CCNC(=O)CCn1cc[nH+]c1)c1ccncc1C#N ZINC001126451642 742864302 /nfs/dbraw/zinc/86/43/02/742864302.db2.gz ZREFAOSZNVMKPI-UHFFFAOYSA-N 1 2 342.403 0.809 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)c2ccoc2)[C@H](OC)C1 ZINC001211845499 743154918 /nfs/dbraw/zinc/15/49/18/743154918.db2.gz YDCRANZMZJJJOF-HZPDHXFCSA-N 1 2 347.415 0.909 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)c2ccoc2)[C@H](OC)C1 ZINC001211845499 743154925 /nfs/dbraw/zinc/15/49/25/743154925.db2.gz YDCRANZMZJJJOF-HZPDHXFCSA-N 1 2 347.415 0.909 20 30 ECEDLO C=CCO[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001059867282 751812963 /nfs/dbraw/zinc/81/29/63/751812963.db2.gz LFGUNMCFSDVYPU-LSDHHAIUSA-N 1 2 334.420 0.829 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC000975873963 743356219 /nfs/dbraw/zinc/35/62/19/743356219.db2.gz YFHSOBULKYOEEZ-YCPHGPKFSA-N 1 2 343.431 0.962 20 30 ECEDLO N#Cc1cc(C(=O)NCC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)c[nH]1 ZINC001059867275 751827948 /nfs/dbraw/zinc/82/79/48/751827948.db2.gz LEQBDEWCILNLAP-CYBMUJFWSA-N 1 2 340.387 0.751 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]([N@H+](C)Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001027337168 743800583 /nfs/dbraw/zinc/80/05/83/743800583.db2.gz ZHCJMXSZCVNZNG-TZMCWYRMSA-N 1 2 342.403 0.605 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001027337168 743800586 /nfs/dbraw/zinc/80/05/86/743800586.db2.gz ZHCJMXSZCVNZNG-TZMCWYRMSA-N 1 2 342.403 0.605 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3cncnc3C)C2)C1=O ZINC001006811999 751861015 /nfs/dbraw/zinc/86/10/15/751861015.db2.gz ADUWCKJEUMMYKJ-HOCLYGCPSA-N 1 2 343.431 0.766 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cncnc3C)C2)C1=O ZINC001006811999 751861024 /nfs/dbraw/zinc/86/10/24/751861024.db2.gz ADUWCKJEUMMYKJ-HOCLYGCPSA-N 1 2 343.431 0.766 20 30 ECEDLO Cn1cc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001027355658 743923126 /nfs/dbraw/zinc/92/31/26/743923126.db2.gz YYVJUTHIGVOJKT-CQSZACIVSA-N 1 2 327.392 0.751 20 30 ECEDLO Cn1cc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001027355658 743923128 /nfs/dbraw/zinc/92/31/28/743923128.db2.gz YYVJUTHIGVOJKT-CQSZACIVSA-N 1 2 327.392 0.751 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cc(C)nn3C)C2)nn1 ZINC001098625254 744139167 /nfs/dbraw/zinc/13/91/67/744139167.db2.gz ALDHAIHPHWLACY-AWEZNQCLSA-N 1 2 327.392 0.130 20 30 ECEDLO C=C1CC(C)(C(=O)N(CCO)CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001058773665 744189425 /nfs/dbraw/zinc/18/94/25/744189425.db2.gz RVPYVBDZDWRQAP-UHFFFAOYSA-N 1 2 334.420 0.636 20 30 ECEDLO C=C1CC(C)(C(=O)N(CCO)CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001058773665 744189427 /nfs/dbraw/zinc/18/94/27/744189427.db2.gz RVPYVBDZDWRQAP-UHFFFAOYSA-N 1 2 334.420 0.636 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000976764909 744306681 /nfs/dbraw/zinc/30/66/81/744306681.db2.gz LTYICYDPGQXQCK-YRWFTTLQSA-N 1 2 348.406 0.680 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000976766405 744308875 /nfs/dbraw/zinc/30/88/75/744308875.db2.gz SFVQHCOOFWDAFL-CTTHAOKLSA-N 1 2 344.415 0.437 20 30 ECEDLO CC(C)(C)[C@H](CNc1ccnc(C#N)n1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001126110240 744481050 /nfs/dbraw/zinc/48/10/50/744481050.db2.gz NNULGBIXTRPRDD-LBPRGKRZSA-N 1 2 327.392 0.679 20 30 ECEDLO CC(C)(C)[C@@H](CNc1ccnc(C#N)n1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001126110239 744481110 /nfs/dbraw/zinc/48/11/10/744481110.db2.gz NNULGBIXTRPRDD-GFCCVEGCSA-N 1 2 327.392 0.679 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000977051587 744617660 /nfs/dbraw/zinc/61/76/60/744617660.db2.gz KHXRFZHYOGTVMB-QDEPRCCBSA-N 1 2 344.415 0.506 20 30 ECEDLO N#CCSCC(=O)N1CC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001059197285 745112434 /nfs/dbraw/zinc/11/24/34/745112434.db2.gz ARBNVOLKQVGKSP-GFCCVEGCSA-N 1 2 335.433 0.564 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3(C)CCC3)C2)nn1 ZINC001098697167 745216445 /nfs/dbraw/zinc/21/64/45/745216445.db2.gz CAURUIKZGUAHDU-MRXNPFEDSA-N 1 2 345.447 0.981 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C(C)(C)C1 ZINC000977599584 745280831 /nfs/dbraw/zinc/28/08/31/745280831.db2.gz DAUAEADQVBSRFI-GHMZBOCLSA-N 1 2 335.857 0.257 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C(C)(C)C1 ZINC000977599584 745280837 /nfs/dbraw/zinc/28/08/37/745280837.db2.gz DAUAEADQVBSRFI-GHMZBOCLSA-N 1 2 335.857 0.257 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000977798281 745519799 /nfs/dbraw/zinc/51/97/99/745519799.db2.gz PUTHKUBCDILWKH-VYDXJSESSA-N 1 2 346.431 0.993 20 30 ECEDLO Cc1nsc(C)c1C[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 ZINC001083414019 745528407 /nfs/dbraw/zinc/52/84/07/745528407.db2.gz HZUMTQYPPFVKOS-CABCVRRESA-N 1 2 345.428 0.935 20 30 ECEDLO Cc1nsc(C)c1C[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 ZINC001083414019 745528409 /nfs/dbraw/zinc/52/84/09/745528409.db2.gz HZUMTQYPPFVKOS-CABCVRRESA-N 1 2 345.428 0.935 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)[nH]1 ZINC001083414349 745533053 /nfs/dbraw/zinc/53/30/53/745533053.db2.gz YXPOEPXHKUSFKR-MSOLQXFVSA-N 1 2 334.379 0.713 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)[nH]1 ZINC001083414349 745533055 /nfs/dbraw/zinc/53/30/55/745533055.db2.gz YXPOEPXHKUSFKR-MSOLQXFVSA-N 1 2 334.379 0.713 20 30 ECEDLO Cc1ncc(C[N@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)s1 ZINC001083414766 745547534 /nfs/dbraw/zinc/54/75/34/745547534.db2.gz UPTJQJVGDRJWDI-KGLIPLIRSA-N 1 2 331.401 0.626 20 30 ECEDLO Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)s1 ZINC001083414766 745547538 /nfs/dbraw/zinc/54/75/38/745547538.db2.gz UPTJQJVGDRJWDI-KGLIPLIRSA-N 1 2 331.401 0.626 20 30 ECEDLO CS(=O)(=O)CC[N@H+]1CC=C(CNC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001000597172 745625822 /nfs/dbraw/zinc/62/58/22/745625822.db2.gz XHVFMFAFOZFZRZ-UHFFFAOYSA-N 1 2 336.417 0.293 20 30 ECEDLO CS(=O)(=O)CC[N@@H+]1CC=C(CNC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001000597172 745625823 /nfs/dbraw/zinc/62/58/23/745625823.db2.gz XHVFMFAFOZFZRZ-UHFFFAOYSA-N 1 2 336.417 0.293 20 30 ECEDLO CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000977913900 745667808 /nfs/dbraw/zinc/66/78/08/745667808.db2.gz UBWONNYMWLTFMC-HZPDHXFCSA-N 1 2 340.427 0.918 20 30 ECEDLO CCn1ncc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)n1 ZINC000978025871 745791542 /nfs/dbraw/zinc/79/15/42/745791542.db2.gz ZDJNWUPFMFQOIL-QKDCVEJESA-N 1 2 339.403 0.606 20 30 ECEDLO CCn1ncc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)n1 ZINC000978025871 745791546 /nfs/dbraw/zinc/79/15/46/745791546.db2.gz ZDJNWUPFMFQOIL-QKDCVEJESA-N 1 2 339.403 0.606 20 30 ECEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@@H]1CCC(=O)NC1 ZINC001038448063 746140999 /nfs/dbraw/zinc/14/09/99/746140999.db2.gz GRCNIWZRYXTNND-SJORKVTESA-N 1 2 325.412 0.755 20 30 ECEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@@H]1CCC(=O)NC1 ZINC001038448063 746141000 /nfs/dbraw/zinc/14/10/00/746141000.db2.gz GRCNIWZRYXTNND-SJORKVTESA-N 1 2 325.412 0.755 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3ncccn3)C2)nn1 ZINC001027606958 746163152 /nfs/dbraw/zinc/16/31/52/746163152.db2.gz PDVZSSJDQBIQDD-CQSZACIVSA-N 1 2 341.419 0.991 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3ncccn3)C2)nn1 ZINC001027606958 746163154 /nfs/dbraw/zinc/16/31/54/746163154.db2.gz PDVZSSJDQBIQDD-CQSZACIVSA-N 1 2 341.419 0.991 20 30 ECEDLO C=CCn1cccc1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3nncn3C)C[C@H]21 ZINC000978303103 746173665 /nfs/dbraw/zinc/17/36/65/746173665.db2.gz RMBDGBJQWAQGEO-QKDCVEJESA-N 1 2 340.431 0.910 20 30 ECEDLO C=CCn1cccc1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nncn3C)C[C@H]21 ZINC000978303103 746173668 /nfs/dbraw/zinc/17/36/68/746173668.db2.gz RMBDGBJQWAQGEO-QKDCVEJESA-N 1 2 340.431 0.910 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCS(C)(=O)=O)[C@@H]1CC ZINC001087732141 746257452 /nfs/dbraw/zinc/25/74/52/746257452.db2.gz DORZMLKXXHEEES-BARDWOONSA-N 1 2 344.477 0.591 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCS(C)(=O)=O)[C@@H]1CC ZINC001087732141 746257455 /nfs/dbraw/zinc/25/74/55/746257455.db2.gz DORZMLKXXHEEES-BARDWOONSA-N 1 2 344.477 0.591 20 30 ECEDLO CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)[C@H]1CC 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ROTNODINIZQUCQ-HZPDHXFCSA-N 1 2 335.448 0.995 20 30 ECEDLO N#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)[C@@H]2C1 ZINC000978528173 746407305 /nfs/dbraw/zinc/40/73/05/746407305.db2.gz TYPNUQNQZCZGDZ-NXOAAHMSSA-N 1 2 332.448 0.305 20 30 ECEDLO N#CCN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCC[N@H+]3CC3CCC3)[C@@H]2C1 ZINC000978528173 746407308 /nfs/dbraw/zinc/40/73/08/746407308.db2.gz TYPNUQNQZCZGDZ-NXOAAHMSSA-N 1 2 332.448 0.305 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ncnn3CC)C[C@H]21 ZINC000978717402 746617927 /nfs/dbraw/zinc/61/79/27/746617927.db2.gz LSQNRRBDWJDBKT-SUJAAXHWSA-N 1 2 345.447 0.683 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ncnn3CC)C[C@H]21 ZINC000978717402 746617931 /nfs/dbraw/zinc/61/79/31/746617931.db2.gz LSQNRRBDWJDBKT-SUJAAXHWSA-N 1 2 345.447 0.683 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)/C=C(\C)C2CC2)[C@H](OC)C1 ZINC001211957774 752112573 /nfs/dbraw/zinc/11/25/73/752112573.db2.gz ZMBCLUQSGZJSLR-IPHWGRQASA-N 1 2 333.432 0.296 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)/C=C(\C)C2CC2)[C@H](OC)C1 ZINC001211957774 752112579 /nfs/dbraw/zinc/11/25/79/752112579.db2.gz ZMBCLUQSGZJSLR-IPHWGRQASA-N 1 2 333.432 0.296 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](Nc2ccncc2C#N)C1 ZINC001059414000 746763801 /nfs/dbraw/zinc/76/38/01/746763801.db2.gz BSRLGTDLZCWKSI-KBUPBQIOSA-N 1 2 336.399 0.971 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3ccc(F)cc3)[C@@H](O)C2)C1=O ZINC001083310715 746946467 /nfs/dbraw/zinc/94/64/67/746946467.db2.gz IJYGDYUMRXUQNZ-OAGGEKHMSA-N 1 2 347.390 0.388 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3ccc(F)cc3)[C@@H](O)C2)C1=O ZINC001083310715 746946469 /nfs/dbraw/zinc/94/64/69/746946469.db2.gz IJYGDYUMRXUQNZ-OAGGEKHMSA-N 1 2 347.390 0.388 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001002199599 747076852 /nfs/dbraw/zinc/07/68/52/747076852.db2.gz FFNRCCWVVYOIPE-RDJZCZTQSA-N 1 2 346.431 0.829 20 30 ECEDLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@H]2CCN(CC#N)C[C@H]2C1 ZINC001088053009 747159261 /nfs/dbraw/zinc/15/92/61/747159261.db2.gz QLSNDRASWLPEDL-IXDOHACOSA-N 1 2 334.464 0.791 20 30 ECEDLO CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@H]2CCN(CC#N)C[C@H]2C1 ZINC001088053009 747159265 /nfs/dbraw/zinc/15/92/65/747159265.db2.gz QLSNDRASWLPEDL-IXDOHACOSA-N 1 2 334.464 0.791 20 30 ECEDLO Cc1nnc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)o1 ZINC000979287220 747539287 /nfs/dbraw/zinc/53/92/87/747539287.db2.gz DJSLMJRWWXAHPJ-YGRLFVJLSA-N 1 2 344.375 0.597 20 30 ECEDLO C=CCn1cccc1C(=O)NCCN(CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001058949419 752222599 /nfs/dbraw/zinc/22/25/99/752222599.db2.gz URZXMGQWUMFJRL-UHFFFAOYSA-N 1 2 345.403 0.191 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCOC(C)C)[C@H](OC)C1 ZINC001211898968 747966510 /nfs/dbraw/zinc/96/65/10/747966510.db2.gz OKJWVPNGYKVNGF-RBSFLKMASA-N 1 2 341.452 0.308 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCOC(C)C)[C@H](OC)C1 ZINC001211898968 747966516 /nfs/dbraw/zinc/96/65/16/747966516.db2.gz OKJWVPNGYKVNGF-RBSFLKMASA-N 1 2 341.452 0.308 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1)C(=O)c1c[nH]c(C#N)c1 ZINC001003063561 748132013 /nfs/dbraw/zinc/13/20/13/748132013.db2.gz GUKWPYGLIBWYLI-OAHLLOKOSA-N 1 2 340.387 0.915 20 30 ECEDLO C=CCn1cc(C(=O)NC2CC[NH+](Cc3ccn(C)n3)CC2)nn1 ZINC001003759422 748866892 /nfs/dbraw/zinc/86/68/92/748866892.db2.gz LAYWLEXRIMRAKM-UHFFFAOYSA-N 1 2 329.408 0.592 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N(C)CCN(C)c1[nH+]cnc2c1cnn2C ZINC001105421865 748945692 /nfs/dbraw/zinc/94/56/92/748945692.db2.gz FRKJTCUJTAFSDO-LBPRGKRZSA-N 1 2 332.408 0.849 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)nn(CC)c3C)C2)nn1 ZINC001105345636 749059475 /nfs/dbraw/zinc/05/94/75/749059475.db2.gz LGZSJZNDPDVQQH-UHFFFAOYSA-N 1 2 341.419 0.531 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3oncc3C)CC2)CC1 ZINC000985832998 749201562 /nfs/dbraw/zinc/20/15/62/749201562.db2.gz PPRMJAXFYXELLP-UHFFFAOYSA-N 1 2 347.419 0.664 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001004090141 749202175 /nfs/dbraw/zinc/20/21/75/749202175.db2.gz QAOIFZPQSOJQSI-LBPRGKRZSA-N 1 2 338.371 0.615 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC001013931339 761931128 /nfs/dbraw/zinc/93/11/28/761931128.db2.gz BUMNWPVEPOEJKS-TZMCWYRMSA-N 1 2 337.383 0.748 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001027916194 749369811 /nfs/dbraw/zinc/36/98/11/749369811.db2.gz FYXPPWPTRXSNLV-KGLIPLIRSA-N 1 2 343.855 0.814 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001027916194 749369818 /nfs/dbraw/zinc/36/98/18/749369818.db2.gz FYXPPWPTRXSNLV-KGLIPLIRSA-N 1 2 343.855 0.814 20 30 ECEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cccn3nnnc23)CC1 ZINC001004449424 749512400 /nfs/dbraw/zinc/51/24/00/749512400.db2.gz ISSIBDBUSLWJFW-OAHLLOKOSA-N 1 2 339.403 0.964 20 30 ECEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cccn3nnnc23)CC1 ZINC001004449424 749512402 /nfs/dbraw/zinc/51/24/02/749512402.db2.gz ISSIBDBUSLWJFW-OAHLLOKOSA-N 1 2 339.403 0.964 20 30 ECEDLO Cn1cc(C(N)=O)cc1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004475762 749544704 /nfs/dbraw/zinc/54/47/04/749544704.db2.gz IOKNXDMNNDYOGY-OAHLLOKOSA-N 1 2 343.431 0.964 20 30 ECEDLO Cn1cc(C(N)=O)cc1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004475762 749544709 /nfs/dbraw/zinc/54/47/09/749544709.db2.gz IOKNXDMNNDYOGY-OAHLLOKOSA-N 1 2 343.431 0.964 20 30 ECEDLO COCc1noc(C[NH2+][C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C)n1 ZINC000986134608 749605938 /nfs/dbraw/zinc/60/59/38/749605938.db2.gz ONDPZHDPAIVKLY-PWSUYJOCSA-N 1 2 344.375 0.809 20 30 ECEDLO CC(=O)N1CCO[C@@H](C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004608679 749680054 /nfs/dbraw/zinc/68/00/54/749680054.db2.gz AUDXNQMGIASSQM-IAGOWNOFSA-N 1 2 348.447 0.460 20 30 ECEDLO CC(=O)N1CCO[C@@H](C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004608679 749680059 /nfs/dbraw/zinc/68/00/59/749680059.db2.gz AUDXNQMGIASSQM-IAGOWNOFSA-N 1 2 348.447 0.460 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3cc(C)nn3C)CC2)C1=O ZINC000980783313 750158258 /nfs/dbraw/zinc/15/82/58/750158258.db2.gz CCKRREDSROHJLC-OAHLLOKOSA-N 1 2 345.447 0.663 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3cc(C)nn3C)CC2)C1=O ZINC000980783313 750158263 /nfs/dbraw/zinc/15/82/63/750158263.db2.gz CCKRREDSROHJLC-OAHLLOKOSA-N 1 2 345.447 0.663 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C1 ZINC000986597040 750167082 /nfs/dbraw/zinc/16/70/82/750167082.db2.gz GOMIKUQFOHLGPB-MJBXVCDLSA-N 1 2 329.404 0.809 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C1 ZINC000986597040 750167087 /nfs/dbraw/zinc/16/70/87/750167087.db2.gz GOMIKUQFOHLGPB-MJBXVCDLSA-N 1 2 329.404 0.809 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C(C)C)nn3C)C2)nn1 ZINC001105354764 750491900 /nfs/dbraw/zinc/49/19/00/750491900.db2.gz VIXZMDDGDWQIOC-UHFFFAOYSA-N 1 2 341.419 0.555 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(CC)c[nH]c3=O)C2)nn1 ZINC001105356400 750556850 /nfs/dbraw/zinc/55/68/50/750556850.db2.gz OSCCRLKTLSUKIW-UHFFFAOYSA-N 1 2 340.387 0.361 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]c(C)cc3=O)C2)nn1 ZINC001105356332 750563982 /nfs/dbraw/zinc/56/39/82/750563982.db2.gz JIJIBKADRJACIK-UHFFFAOYSA-N 1 2 340.387 0.085 20 30 ECEDLO Cc1cnc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)cn1 ZINC001083319802 750605150 /nfs/dbraw/zinc/60/51/50/750605150.db2.gz IOXCAUGUJSRHEE-SJORKVTESA-N 1 2 337.383 0.632 20 30 ECEDLO Cc1cnc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)cn1 ZINC001083319802 750605151 /nfs/dbraw/zinc/60/51/51/750605151.db2.gz IOXCAUGUJSRHEE-SJORKVTESA-N 1 2 337.383 0.632 20 30 ECEDLO CN(C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)C1CCN(CC#N)CC1 ZINC001005773986 750620344 /nfs/dbraw/zinc/62/03/44/750620344.db2.gz TYWORPWAGZKWHX-KRWDZBQOSA-N 1 2 334.464 0.934 20 30 ECEDLO CN(C(=O)[C@@H]1COCC[N@H+]1CC1CCC1)C1CCN(CC#N)CC1 ZINC001005773986 750620345 /nfs/dbraw/zinc/62/03/45/750620345.db2.gz TYWORPWAGZKWHX-KRWDZBQOSA-N 1 2 334.464 0.934 20 30 ECEDLO C=CC[NH2+][C@H]1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC000981395139 750659311 /nfs/dbraw/zinc/65/93/11/750659311.db2.gz JHJVXWKBTRMLFG-RYUDHWBXSA-N 1 2 330.392 0.274 20 30 ECEDLO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001005942580 750826811 /nfs/dbraw/zinc/82/68/11/750826811.db2.gz FNKUVARPANAKIQ-SNVBAGLBSA-N 1 2 326.360 0.429 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1C ZINC000987633111 751031069 /nfs/dbraw/zinc/03/10/69/751031069.db2.gz DIPFXWSEQZCWHI-YPMHNXCESA-N 1 2 340.387 0.880 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H](C)n3cccn3)C2)nn1 ZINC001105358187 751156476 /nfs/dbraw/zinc/15/64/76/751156476.db2.gz STOIAZRMYPBGKQ-CYBMUJFWSA-N 1 2 327.392 0.232 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](Nc2ccc(C#N)nn2)C1 ZINC001059830234 751187025 /nfs/dbraw/zinc/18/70/25/751187025.db2.gz YBGMBYYXHAPEJT-XJFOESAGSA-N 1 2 337.387 0.945 20 30 ECEDLO C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CN(C(=O)C#CC2CC2)C1 ZINC001006315002 751234906 /nfs/dbraw/zinc/23/49/06/751234906.db2.gz IFAGUZGZPQCWCY-DZGCQCFKSA-N 1 2 340.427 0.822 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)Oc3ccccn3)C2)nn1 ZINC001105363409 752366764 /nfs/dbraw/zinc/36/67/64/752366764.db2.gz ZVAIUEVMPWKCRF-CYBMUJFWSA-N 1 2 340.387 0.247 20 30 ECEDLO CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C#N)[C@H](OC)C1 ZINC001212039863 752433308 /nfs/dbraw/zinc/43/33/08/752433308.db2.gz VWAGCSMRWIBMRF-RRFJBIMHSA-N 1 2 338.452 0.610 20 30 ECEDLO CCCN(CCC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)C#N)[C@H](OC)C1 ZINC001212039863 752433310 /nfs/dbraw/zinc/43/33/10/752433310.db2.gz VWAGCSMRWIBMRF-RRFJBIMHSA-N 1 2 338.452 0.610 20 30 ECEDLO COCCN(CCNC(=O)Cn1cc[nH+]c1)c1snc(C)c1C#N ZINC001126360308 752433568 /nfs/dbraw/zinc/43/35/68/752433568.db2.gz GXEBPILJUVAISK-UHFFFAOYSA-N 1 2 348.432 0.789 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C)c1 ZINC001014044355 762133441 /nfs/dbraw/zinc/13/34/41/762133441.db2.gz MJPNSYDXYYGBKE-XJKSGUPXSA-N 1 2 337.383 0.679 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)[nH]1 ZINC000937839172 752572157 /nfs/dbraw/zinc/57/21/57/752572157.db2.gz QTJSSCANWRLHLE-ZDUSSCGKSA-N 1 2 326.360 0.504 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC000938024542 752666270 /nfs/dbraw/zinc/66/62/70/752666270.db2.gz OCZRDUBOKUVBTJ-LBPRGKRZSA-N 1 2 343.391 0.151 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001007634520 752679829 /nfs/dbraw/zinc/67/98/29/752679829.db2.gz FQYYFGQICLQLNU-DYVFJYSZSA-N 1 2 345.403 0.332 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C(C)=C2CCCC2)[C@H](OC)C1 ZINC001212094655 752722762 /nfs/dbraw/zinc/72/27/62/752722762.db2.gz BDPNQGADUHXIQD-HZPDHXFCSA-N 1 2 335.448 0.995 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C(C)=C2CCCC2)[C@H](OC)C1 ZINC001212094655 752722767 /nfs/dbraw/zinc/72/27/67/752722767.db2.gz BDPNQGADUHXIQD-HZPDHXFCSA-N 1 2 335.448 0.995 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)Cc2ccsc2)[C@H](OC)C1 ZINC001211790757 752746248 /nfs/dbraw/zinc/74/62/48/752746248.db2.gz DAMUEGISAYHLBI-ZIAGYGMSSA-N 1 2 337.445 0.408 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)Cc2ccsc2)[C@H](OC)C1 ZINC001211790757 752746251 /nfs/dbraw/zinc/74/62/51/752746251.db2.gz DAMUEGISAYHLBI-ZIAGYGMSSA-N 1 2 337.445 0.408 20 30 ECEDLO CCCn1nnnc1C[N@@H+]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028468082 752762973 /nfs/dbraw/zinc/76/29/73/752762973.db2.gz NNWYASVKSUYVTM-GFCCVEGCSA-N 1 2 342.407 0.535 20 30 ECEDLO CCCn1nnnc1C[N@H+]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028468082 752762979 /nfs/dbraw/zinc/76/29/79/752762979.db2.gz NNWYASVKSUYVTM-GFCCVEGCSA-N 1 2 342.407 0.535 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2ccsc2)[C@H](OC)C1 ZINC001211795354 752767670 /nfs/dbraw/zinc/76/76/70/752767670.db2.gz JXPGVTGGUNBAJB-NWANDNLSSA-N 1 2 349.456 0.244 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2ccsc2)[C@H](OC)C1 ZINC001211795354 752767672 /nfs/dbraw/zinc/76/76/72/752767672.db2.gz JXPGVTGGUNBAJB-NWANDNLSSA-N 1 2 349.456 0.244 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cccc(C)c2)[C@H](OC)C1 ZINC001211795591 752769064 /nfs/dbraw/zinc/76/90/64/752769064.db2.gz VHJIONXZCKXDGQ-USXIJHARSA-N 1 2 343.427 0.562 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccc(C)c2)[C@H](OC)C1 ZINC001211795591 752769067 /nfs/dbraw/zinc/76/90/67/752769067.db2.gz VHJIONXZCKXDGQ-USXIJHARSA-N 1 2 343.427 0.562 20 30 ECEDLO C=CCOCC(=O)NCC[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001075922509 752770152 /nfs/dbraw/zinc/77/01/52/752770152.db2.gz VVZZVMBFQWKPJP-ZDUSSCGKSA-N 1 2 335.404 0.846 20 30 ECEDLO C=CCn1cccc1C(=O)N1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC000988969834 753091687 /nfs/dbraw/zinc/09/16/87/753091687.db2.gz WUZSQGLAVRTUKA-CHWSQXEVSA-N 1 2 344.419 0.489 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cnn(C)n2)C1 ZINC001028549802 753111759 /nfs/dbraw/zinc/11/17/59/753111759.db2.gz YMBLQZKRNHHRIK-BMFZPTHFSA-N 1 2 333.436 0.734 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cnn(C)n2)C1 ZINC001028549802 753111764 /nfs/dbraw/zinc/11/17/64/753111764.db2.gz YMBLQZKRNHHRIK-BMFZPTHFSA-N 1 2 333.436 0.734 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3coc(OC)n3)C2)C1=O ZINC001008070913 753272468 /nfs/dbraw/zinc/27/24/68/753272468.db2.gz RGKCFSZFBJKHLS-TZMCWYRMSA-N 1 2 348.403 0.664 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3coc(OC)n3)C2)C1=O ZINC001008070913 753272473 /nfs/dbraw/zinc/27/24/73/753272473.db2.gz RGKCFSZFBJKHLS-TZMCWYRMSA-N 1 2 348.403 0.664 20 30 ECEDLO CC(C)Cc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)n1 ZINC001051494851 762206421 /nfs/dbraw/zinc/20/64/21/762206421.db2.gz OCTAPCGKEQXOEL-CHWSQXEVSA-N 1 2 335.408 0.745 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3c(C)[nH]nc3Cl)C2)nn1 ZINC001098680353 753398237 /nfs/dbraw/zinc/39/82/37/753398237.db2.gz FODGVMPJCIUFRE-LBPRGKRZSA-N 1 2 347.810 0.773 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)c1 ZINC001008178998 753429058 /nfs/dbraw/zinc/42/90/58/753429058.db2.gz SJCCVDGVJGSHEL-HUUCEWRRSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)c1 ZINC001008178998 753429060 /nfs/dbraw/zinc/42/90/60/753429060.db2.gz SJCCVDGVJGSHEL-HUUCEWRRSA-N 1 2 344.390 0.914 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000982738671 753448451 /nfs/dbraw/zinc/44/84/51/753448451.db2.gz GNCPBYVMPFNRPV-ARFHVFGLSA-N 1 2 340.427 0.902 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000982740211 753451278 /nfs/dbraw/zinc/45/12/78/753451278.db2.gz VNORUQULKXRVKZ-JKSUJKDBSA-N 1 2 340.427 0.824 20 30 ECEDLO Cn1nnc(C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC001008211744 753467627 /nfs/dbraw/zinc/46/76/27/753467627.db2.gz DYKBLFJIVCLNFX-HNNXBMFYSA-N 1 2 342.378 0.595 20 30 ECEDLO Cn1nnc(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC001008211744 753467633 /nfs/dbraw/zinc/46/76/33/753467633.db2.gz DYKBLFJIVCLNFX-HNNXBMFYSA-N 1 2 342.378 0.595 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CCSC)[C@H](OC)C2)C1=O ZINC001211831122 753476026 /nfs/dbraw/zinc/47/60/26/753476026.db2.gz NZSOEBBHSPZQJA-HZSPNIEDSA-N 1 2 341.477 0.342 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CCSC)[C@H](OC)C2)C1=O ZINC001211831122 753476031 /nfs/dbraw/zinc/47/60/31/753476031.db2.gz NZSOEBBHSPZQJA-HZSPNIEDSA-N 1 2 341.477 0.342 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3c(C)n[nH]c3C)C2)nn1 ZINC001105371489 753522122 /nfs/dbraw/zinc/52/21/22/753522122.db2.gz PEMHZUQXFBCOBA-UHFFFAOYSA-N 1 2 341.419 0.357 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)c(F)c1 ZINC001008369828 753665514 /nfs/dbraw/zinc/66/55/14/753665514.db2.gz DOOBIENEWGLPOO-DZGCQCFKSA-N 1 2 345.378 0.459 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)c(F)c1 ZINC001008369828 753665515 /nfs/dbraw/zinc/66/55/15/753665515.db2.gz DOOBIENEWGLPOO-DZGCQCFKSA-N 1 2 345.378 0.459 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O)[C@@H]1CCOC1 ZINC001083361672 753679387 /nfs/dbraw/zinc/67/93/87/753679387.db2.gz XZKCPBMXOBNIFG-OIISXLGYSA-N 1 2 348.830 0.889 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1O)[C@@H]1CCOC1 ZINC001083361672 753679389 /nfs/dbraw/zinc/67/93/89/753679389.db2.gz XZKCPBMXOBNIFG-OIISXLGYSA-N 1 2 348.830 0.889 20 30 ECEDLO CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001105494025 753738696 /nfs/dbraw/zinc/73/86/96/753738696.db2.gz RIYXHHNFXQWKCU-ZDUSSCGKSA-N 1 2 339.403 0.702 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)cc(=O)[nH]c3C)C2)nn1 ZINC001105375784 753826042 /nfs/dbraw/zinc/82/60/42/753826042.db2.gz OLUOHNCEIFAZNO-UHFFFAOYSA-N 1 2 340.387 0.415 20 30 ECEDLO COCCN(CCNC(=O)Cc1[nH]c[nH+]c1C)c1cnc(C#N)cn1 ZINC001126394368 753938825 /nfs/dbraw/zinc/93/88/25/753938825.db2.gz CTAVLURWNLBVAI-UHFFFAOYSA-N 1 2 343.391 0.192 20 30 ECEDLO C#CCOc1ncccc1C(=O)N1CCC[N@@H+]([C@@H](C)C(=O)NC)CC1 ZINC000989508829 754051355 /nfs/dbraw/zinc/05/13/55/754051355.db2.gz VRPVQRHLMKPRRG-AWEZNQCLSA-N 1 2 344.415 0.376 20 30 ECEDLO C#CCOc1ncccc1C(=O)N1CCC[N@H+]([C@@H](C)C(=O)NC)CC1 ZINC000989508829 754051361 /nfs/dbraw/zinc/05/13/61/754051361.db2.gz VRPVQRHLMKPRRG-AWEZNQCLSA-N 1 2 344.415 0.376 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC000989517406 754068578 /nfs/dbraw/zinc/06/85/78/754068578.db2.gz ZKWDMOLSSCZHAC-INIZCTEOSA-N 1 2 326.400 0.871 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC000989517406 754068581 /nfs/dbraw/zinc/06/85/81/754068581.db2.gz ZKWDMOLSSCZHAC-INIZCTEOSA-N 1 2 326.400 0.871 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCC3)C2)nn1 ZINC001008813583 754146083 /nfs/dbraw/zinc/14/60/83/754146083.db2.gz GRJBSQAGHMSLRT-CQSZACIVSA-N 1 2 346.435 0.281 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N3CCC3)C2)nn1 ZINC001008813583 754146091 /nfs/dbraw/zinc/14/60/91/754146091.db2.gz GRJBSQAGHMSLRT-CQSZACIVSA-N 1 2 346.435 0.281 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CCO[C@@H](C[NH2+]Cc3csnn3)C2)c1 ZINC001051523919 762274000 /nfs/dbraw/zinc/27/40/00/762274000.db2.gz MSGRDHOTYXAHPB-LBPRGKRZSA-N 1 2 332.389 0.369 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCN(C)C3=O)C2)nn1 ZINC001008827277 754166723 /nfs/dbraw/zinc/16/67/23/754166723.db2.gz XPPQLXWUKHBCLR-UKRRQHHQSA-N 1 2 346.435 0.279 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCN(C)C3=O)C2)nn1 ZINC001008827277 754166726 /nfs/dbraw/zinc/16/67/26/754166726.db2.gz XPPQLXWUKHBCLR-UKRRQHHQSA-N 1 2 346.435 0.279 20 30 ECEDLO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)o1 ZINC001051524359 762275005 /nfs/dbraw/zinc/27/50/05/762275005.db2.gz SXTZDCDHUSIVMP-LBPRGKRZSA-N 1 2 330.348 0.209 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)c1 ZINC000982932071 754231090 /nfs/dbraw/zinc/23/10/90/754231090.db2.gz ASCJBMBDHBHYBN-LBPRGKRZSA-N 1 2 326.360 0.361 20 30 ECEDLO C=CCOCC(=O)NCC[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001060001763 754555341 /nfs/dbraw/zinc/55/53/41/754555341.db2.gz FYKXKRHUVPOMIB-HNNXBMFYSA-N 1 2 334.420 0.831 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001009126750 754557951 /nfs/dbraw/zinc/55/79/51/754557951.db2.gz WKKLJRSZDMJJHI-CHWSQXEVSA-N 1 2 332.404 0.714 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC001009126750 754557954 /nfs/dbraw/zinc/55/79/54/754557954.db2.gz WKKLJRSZDMJJHI-CHWSQXEVSA-N 1 2 332.404 0.714 20 30 ECEDLO Cc1noc([C@@H](C)[NH2+]C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)n1 ZINC001051562960 762345379 /nfs/dbraw/zinc/34/53/79/762345379.db2.gz MGAKOMBVSVQOAU-YGRLFVJLSA-N 1 2 344.375 0.770 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3cn(CC)nn3)C2)nn1 ZINC001028853564 755313298 /nfs/dbraw/zinc/31/32/98/755313298.db2.gz WBVFNTWODZYYPA-CYBMUJFWSA-N 1 2 344.423 0.327 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3cn(CC)nn3)C2)nn1 ZINC001028853564 755313302 /nfs/dbraw/zinc/31/33/02/755313302.db2.gz WBVFNTWODZYYPA-CYBMUJFWSA-N 1 2 344.423 0.327 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@@H]1O ZINC001083470783 755318528 /nfs/dbraw/zinc/31/85/28/755318528.db2.gz NDLPUZQKQWKDEQ-WCVJEAGWSA-N 1 2 335.404 0.626 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@@H]1O ZINC001083470783 755318532 /nfs/dbraw/zinc/31/85/32/755318532.db2.gz NDLPUZQKQWKDEQ-WCVJEAGWSA-N 1 2 335.404 0.626 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3ncccn3)C2)nn1 ZINC001028856381 755320028 /nfs/dbraw/zinc/32/00/28/755320028.db2.gz GHIXMHAQGSUYSH-CQSZACIVSA-N 1 2 341.419 0.896 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3ncccn3)C2)nn1 ZINC001028856381 755320030 /nfs/dbraw/zinc/32/00/30/755320030.db2.gz GHIXMHAQGSUYSH-CQSZACIVSA-N 1 2 341.419 0.896 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)cn1 ZINC000983365768 755410997 /nfs/dbraw/zinc/41/09/97/755410997.db2.gz UHMQHCMQBCZCLT-CYBMUJFWSA-N 1 2 337.383 0.607 20 30 ECEDLO N#Cc1nc(NC[C@H](O)CNC(=O)Cn2cc[nH+]c2)sc1Cl ZINC001105883004 762390878 /nfs/dbraw/zinc/39/08/78/762390878.db2.gz PJZWZJOQJDTTPX-MRVPVSSYSA-N 1 2 340.796 0.454 20 30 ECEDLO N#Cc1nccnc1NC[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001060049022 755484740 /nfs/dbraw/zinc/48/47/40/755484740.db2.gz REPVZCRHYXUOOE-LBPRGKRZSA-N 1 2 325.376 0.965 20 30 ECEDLO CC(C)(C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1)c1c[nH+]c[nH]1 ZINC000990700204 755647591 /nfs/dbraw/zinc/64/75/91/755647591.db2.gz SBGAFDXALAEPQM-UHFFFAOYSA-N 1 2 326.360 0.528 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)c1 ZINC000990704388 755654914 /nfs/dbraw/zinc/65/49/14/755654914.db2.gz SPOYKHNBIZXBJB-GFCCVEGCSA-N 1 2 338.371 0.286 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](O)C1 ZINC000991642369 762411715 /nfs/dbraw/zinc/41/17/15/762411715.db2.gz GFGRCBPERRDUTH-TZMCWYRMSA-N 1 2 334.420 0.551 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)c1 ZINC000990714307 755720436 /nfs/dbraw/zinc/72/04/36/755720436.db2.gz ZYWJVCZAAFODCV-GFCCVEGCSA-N 1 2 338.371 0.670 20 30 ECEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3COCCO3)C2)ccc1F ZINC001010249974 755881993 /nfs/dbraw/zinc/88/19/93/755881993.db2.gz DPLAWOBIVCUKHJ-GDBMZVCRSA-N 1 2 333.363 0.803 20 30 ECEDLO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3COCCO3)C2)ccc1F ZINC001010249974 755881999 /nfs/dbraw/zinc/88/19/99/755881999.db2.gz DPLAWOBIVCUKHJ-GDBMZVCRSA-N 1 2 333.363 0.803 20 30 ECEDLO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001010457857 756152347 /nfs/dbraw/zinc/15/23/47/756152347.db2.gz OPGOUQKERRQGSN-LBPRGKRZSA-N 1 2 326.360 0.689 20 30 ECEDLO COc1ccc(C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001010457857 756152356 /nfs/dbraw/zinc/15/23/56/756152356.db2.gz OPGOUQKERRQGSN-LBPRGKRZSA-N 1 2 326.360 0.689 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)c(F)c1 ZINC001010547585 756227805 /nfs/dbraw/zinc/22/78/05/756227805.db2.gz UUKKPPOVMVEUKN-UKRRQHHQSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)c(F)c1 ZINC001010547585 756227807 /nfs/dbraw/zinc/22/78/07/756227807.db2.gz UUKKPPOVMVEUKN-UKRRQHHQSA-N 1 2 344.390 0.914 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCN(C)S3(=O)=O)[C@@H]2C1 ZINC001076349752 756408652 /nfs/dbraw/zinc/40/86/52/756408652.db2.gz SATPGFGFVAUKDQ-XQQFMLRXSA-N 1 2 347.868 0.306 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCN(C)S3(=O)=O)[C@@H]2C1 ZINC001076349752 756408654 /nfs/dbraw/zinc/40/86/54/756408654.db2.gz SATPGFGFVAUKDQ-XQQFMLRXSA-N 1 2 347.868 0.306 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001010698524 756414146 /nfs/dbraw/zinc/41/41/46/756414146.db2.gz PAEUQQOBLYEVPI-CQSZACIVSA-N 1 2 326.360 0.246 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001010698524 756414150 /nfs/dbraw/zinc/41/41/50/756414150.db2.gz PAEUQQOBLYEVPI-CQSZACIVSA-N 1 2 326.360 0.246 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)Cc4ncn[nH]4)[C@@H]3C2)cc1 ZINC001076444936 756536698 /nfs/dbraw/zinc/53/66/98/756536698.db2.gz ZKMCJQNGLCMHBW-JKSUJKDBSA-N 1 2 336.399 0.952 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cc4ncn[nH]4)[C@@H]3C2)cc1 ZINC001076444936 756536702 /nfs/dbraw/zinc/53/67/02/756536702.db2.gz ZKMCJQNGLCMHBW-JKSUJKDBSA-N 1 2 336.399 0.952 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001076495805 756566913 /nfs/dbraw/zinc/56/69/13/756566913.db2.gz PSVKXPPMOBCIEK-GXTWGEPZSA-N 1 2 349.435 0.434 20 30 ECEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1COC(=O)N1 ZINC001010841940 756591421 /nfs/dbraw/zinc/59/14/21/756591421.db2.gz OSFWIKXZMWOLHR-GJZGRUSLSA-N 1 2 331.347 0.476 20 30 ECEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1COC(=O)N1 ZINC001010841940 756591425 /nfs/dbraw/zinc/59/14/25/756591425.db2.gz OSFWIKXZMWOLHR-GJZGRUSLSA-N 1 2 331.347 0.476 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001076511618 756606805 /nfs/dbraw/zinc/60/68/05/756606805.db2.gz AOQMLBOGTIYTKW-ZFWWWQNUSA-N 1 2 348.447 0.976 20 30 ECEDLO Cc1nc(NC[C@H](O)CNC(=O)CCCn2cc[nH+]c2)ccc1C#N ZINC001105893775 762489764 /nfs/dbraw/zinc/48/97/64/762489764.db2.gz GYTRYXKXQWXDKX-HNNXBMFYSA-N 1 2 342.403 0.828 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001011019806 756773389 /nfs/dbraw/zinc/77/33/89/756773389.db2.gz JHFNHFBLNOJCOS-UHFFFAOYSA-N 1 2 340.387 0.537 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001011027982 756790110 /nfs/dbraw/zinc/79/01/10/756790110.db2.gz KJOQZWLWHHQIQO-UHFFFAOYSA-N 1 2 340.387 0.537 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn[nH]3)C2)cc1C#N ZINC001076763532 757011041 /nfs/dbraw/zinc/01/10/41/757011041.db2.gz UVZGDBAMYRSFJJ-HUUCEWRRSA-N 1 2 341.371 0.265 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccn[nH]3)C2)cc1C#N ZINC001076763532 757011053 /nfs/dbraw/zinc/01/10/53/757011053.db2.gz UVZGDBAMYRSFJJ-HUUCEWRRSA-N 1 2 341.371 0.265 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001011206020 757186464 /nfs/dbraw/zinc/18/64/64/757186464.db2.gz XMJUOLUGNXCMAS-KGLIPLIRSA-N 1 2 332.404 0.604 20 30 ECEDLO CC(C)COCC[NH+]1CC(n2cc(CNC(=O)C#CC3CC3)nn2)C1 ZINC001107169666 757208155 /nfs/dbraw/zinc/20/81/55/757208155.db2.gz PDXYSMJGXZEGFH-UHFFFAOYSA-N 1 2 345.447 0.837 20 30 ECEDLO CC#CCN1CC(n2cc(CNC(=O)CCc3[nH]cc[nH+]3)nn2)C1 ZINC001107167267 757232621 /nfs/dbraw/zinc/23/26/21/757232621.db2.gz NUKWBWCJLXEKCK-UHFFFAOYSA-N 1 2 327.392 0.130 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)Cn3ccc(C)n3)nn2)C1 ZINC001107175643 757251527 /nfs/dbraw/zinc/25/15/27/757251527.db2.gz REWYUJPKKYZKDB-ZDUSSCGKSA-N 1 2 343.435 0.778 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)COc3cc(C)on3)nn2)C1 ZINC001107180390 757300637 /nfs/dbraw/zinc/30/06/37/757300637.db2.gz PMIVFYKXIXBWPW-UHFFFAOYSA-N 1 2 346.391 0.703 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC001011260340 757314761 /nfs/dbraw/zinc/31/47/61/757314761.db2.gz OCAJJYZCMORLDK-UKRRQHHQSA-N 1 2 329.404 0.515 20 30 ECEDLO C=CCC(CC=C)C(=O)N(C)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC001048893901 757319474 /nfs/dbraw/zinc/31/94/74/757319474.db2.gz NZUFQZRFMSAHKI-GJZGRUSLSA-N 1 2 346.431 0.751 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCc3ccon3)nn2)C1 ZINC001107185463 757358937 /nfs/dbraw/zinc/35/89/37/757358937.db2.gz RVPYNOHSGSWKEF-UHFFFAOYSA-N 1 2 330.392 0.948 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O ZINC001048916917 757404154 /nfs/dbraw/zinc/40/41/54/757404154.db2.gz VNKZFIBKUDKAGT-RCBQFDQVSA-N 1 2 344.415 0.032 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O ZINC001048916917 757404157 /nfs/dbraw/zinc/40/41/57/757404157.db2.gz VNKZFIBKUDKAGT-RCBQFDQVSA-N 1 2 344.415 0.032 20 30 ECEDLO Cn1cnc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)c1 ZINC001076878993 757432177 /nfs/dbraw/zinc/43/21/77/757432177.db2.gz BCDPTFQILNZGPI-GDBMZVCRSA-N 1 2 325.372 0.267 20 30 ECEDLO Cn1cnc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)c1 ZINC001076878993 757432182 /nfs/dbraw/zinc/43/21/82/757432182.db2.gz BCDPTFQILNZGPI-GDBMZVCRSA-N 1 2 325.372 0.267 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3nc(C)no3)C(C)(C)C2)nn1 ZINC000996390788 757523669 /nfs/dbraw/zinc/52/36/69/757523669.db2.gz WBKKYKDWENCJPI-ZDUSSCGKSA-N 1 2 345.407 0.796 20 30 ECEDLO C[C@@H](c1cnccn1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001076907458 757565493 /nfs/dbraw/zinc/56/54/93/757565493.db2.gz PMVAPUDHMGBEQN-COLVAYQJSA-N 1 2 326.360 0.212 20 30 ECEDLO C[C@@H](c1cnccn1)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001076907458 757565499 /nfs/dbraw/zinc/56/54/99/757565499.db2.gz PMVAPUDHMGBEQN-COLVAYQJSA-N 1 2 326.360 0.212 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cc[nH]c3CC)C2)nn1 ZINC001098667276 757637988 /nfs/dbraw/zinc/63/79/88/757637988.db2.gz WBAAUEBSPMWECA-CQSZACIVSA-N 1 2 326.404 0.979 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)C[C@@H]3C[C@@H]3C)nn2)C1 ZINC001107205479 757660134 /nfs/dbraw/zinc/66/01/34/757660134.db2.gz XPISLJWQZHOCHE-KBPBESRZSA-N 1 2 333.436 1.000 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCc3cc(C)on3)nn2)C1 ZINC001107208995 757683248 /nfs/dbraw/zinc/68/32/48/757683248.db2.gz BVPWEKZNCAYYAV-UHFFFAOYSA-N 1 2 342.403 0.704 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3c(C)coc3C)C2)C1=O ZINC001076955292 757725772 /nfs/dbraw/zinc/72/57/72/757725772.db2.gz XDZZQWRQBKBTJP-RBSFLKMASA-N 1 2 347.415 0.458 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c(C)coc3C)C2)C1=O ZINC001076955292 757725778 /nfs/dbraw/zinc/72/57/78/757725778.db2.gz XDZZQWRQBKBTJP-RBSFLKMASA-N 1 2 347.415 0.458 20 30 ECEDLO C=CCC(CC=C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001049034862 757750255 /nfs/dbraw/zinc/75/02/55/757750255.db2.gz MEZNNZMJTRFHLK-HOTGVXAUSA-N 1 2 346.431 0.682 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCCn2cc[nH+]c2)C1 ZINC001049035424 757751774 /nfs/dbraw/zinc/75/17/74/757751774.db2.gz SZTJRMYUFPSHED-HOTGVXAUSA-N 1 2 346.431 0.353 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C(C)=C3CCC3)C2)C1=O ZINC001076978170 757787956 /nfs/dbraw/zinc/78/79/56/757787956.db2.gz CXBKWNTZVFEHOP-OWCLPIDISA-N 1 2 333.432 0.435 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C(C)=C3CCC3)C2)C1=O ZINC001076978170 757787963 /nfs/dbraw/zinc/78/79/63/757787963.db2.gz CXBKWNTZVFEHOP-OWCLPIDISA-N 1 2 333.432 0.435 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCC(=O)NCCC)nn2)C1 ZINC001107230764 757941393 /nfs/dbraw/zinc/94/13/93/757941393.db2.gz YOGUUIVQUDXGGE-UHFFFAOYSA-N 1 2 346.435 0.081 20 30 ECEDLO Cc1nc(N2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)cc[nH+]1 ZINC001051650711 762588435 /nfs/dbraw/zinc/58/84/35/762588435.db2.gz KRJDHIWAGAHQNA-KGLIPLIRSA-N 1 2 326.360 0.354 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCCN(C)C(C)=O)nn2)C1 ZINC001107233911 757976425 /nfs/dbraw/zinc/97/64/25/757976425.db2.gz RZUVNZIQOMQVPQ-UHFFFAOYSA-N 1 2 346.435 0.033 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](CCCC)NC(N)=O)nn2)C1 ZINC001107241981 757998000 /nfs/dbraw/zinc/99/80/00/757998000.db2.gz LCKMSAIYANFPRH-AWEZNQCLSA-N 1 2 349.439 0.164 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)Cc3csc(C)n3)nn2)C1 ZINC001107234573 758017257 /nfs/dbraw/zinc/01/72/57/758017257.db2.gz JYHXUBFROMUHGA-UHFFFAOYSA-N 1 2 344.444 0.782 20 30 ECEDLO N#Cc1nccc(NC[C@H]2CCC[C@@H]2NC(=O)CCn2cc[nH+]c2)n1 ZINC001105686779 758017934 /nfs/dbraw/zinc/01/79/34/758017934.db2.gz OMDIPGWOZJFELT-KGLIPLIRSA-N 1 2 339.403 0.754 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCN3CCCC3=O)nn2)C1 ZINC001107235733 758022665 /nfs/dbraw/zinc/02/26/65/758022665.db2.gz KVTYCUJFUVEABU-UHFFFAOYSA-N 1 2 346.435 0.340 20 30 ECEDLO C=C[C@@H](C(=O)NCc1cn(C2C[NH+](CCO)C2)nn1)c1ccccc1 ZINC001107238463 758032012 /nfs/dbraw/zinc/03/20/12/758032012.db2.gz YFWVJYBPYXQYLI-QGZVFWFLSA-N 1 2 341.415 0.713 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCc3cnn(C)c3)nn2)C1 ZINC001107238699 758034077 /nfs/dbraw/zinc/03/40/77/758034077.db2.gz LMKPUTHFBKXAFW-UHFFFAOYSA-N 1 2 343.435 0.693 20 30 ECEDLO C[C@H]1[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001011626943 758164507 /nfs/dbraw/zinc/16/45/07/758164507.db2.gz UESUCPNUEKYYDC-CMPLNLGQSA-N 1 2 326.360 0.571 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)NC/C=C\CNc1nccnc1C#N ZINC001107298563 758198102 /nfs/dbraw/zinc/19/81/02/758198102.db2.gz XYKGDRDXWQBJNF-IHWYPQMZSA-N 1 2 325.376 0.799 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3(F)CCOCC3)C2)cc1 ZINC001077106921 758203489 /nfs/dbraw/zinc/20/34/89/758203489.db2.gz HZNOIUJSGHXWET-HZPDHXFCSA-N 1 2 347.390 0.738 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(F)CCOCC3)C2)cc1 ZINC001077106921 758203493 /nfs/dbraw/zinc/20/34/93/758203493.db2.gz HZNOIUJSGHXWET-HZPDHXFCSA-N 1 2 347.390 0.738 20 30 ECEDLO C[C@@H](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)NC(=O)CSCC#N ZINC001077113844 758217330 /nfs/dbraw/zinc/21/73/30/758217330.db2.gz BEMILHWURCIZLL-QWHCGFSZSA-N 1 2 349.460 0.713 20 30 ECEDLO C#CCCCCCC(=O)N(C)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC001049176755 758228583 /nfs/dbraw/zinc/22/85/83/758228583.db2.gz XWDNITCCHSHPPM-GJZGRUSLSA-N 1 2 346.431 0.566 20 30 ECEDLO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001049188888 758254033 /nfs/dbraw/zinc/25/40/33/758254033.db2.gz QDHRKQNEZAJZLI-GJZGRUSLSA-N 1 2 346.431 0.186 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001011702318 758354209 /nfs/dbraw/zinc/35/42/09/758354209.db2.gz PBUORSUSXMKQKC-DGCLKSJQSA-N 1 2 340.387 0.961 20 30 ECEDLO N#Cc1cncc(NC/C=C/CNC(=O)[C@H]2CCc3c[nH+]cn3C2)n1 ZINC001107395043 758452668 /nfs/dbraw/zinc/45/26/68/758452668.db2.gz UNEBXSFRYCKCIK-AORQRIRUSA-N 1 2 337.387 0.892 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1O ZINC001049276395 758468061 /nfs/dbraw/zinc/46/80/61/758468061.db2.gz SHXGVSUZRNREDU-PMPSAXMXSA-N 1 2 348.447 0.906 20 30 ECEDLO COC1CC(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]2O)C1 ZINC001077193525 758474508 /nfs/dbraw/zinc/47/45/08/758474508.db2.gz HSFLQPJMXDGAGL-XAWIXRBMSA-N 1 2 346.402 0.764 20 30 ECEDLO COC1CC(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]2O)C1 ZINC001077193525 758474509 /nfs/dbraw/zinc/47/45/09/758474509.db2.gz HSFLQPJMXDGAGL-XAWIXRBMSA-N 1 2 346.402 0.764 20 30 ECEDLO C=CCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)Cc3[nH]cc[nH+]3)C2)CCC1 ZINC001049316814 758507855 /nfs/dbraw/zinc/50/78/55/758507855.db2.gz SGVYOINLJNJKCX-KBPBESRZSA-N 1 2 346.431 0.729 20 30 ECEDLO N#Cc1cnc(N2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)cn1 ZINC001049416340 758655205 /nfs/dbraw/zinc/65/52/05/758655205.db2.gz JKDCAXZPALTZPA-KGLIPLIRSA-N 1 2 337.387 0.530 20 30 ECEDLO Cn1ncc(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)c2ccc(C#N)[nH]2)n1 ZINC001049424249 758668431 /nfs/dbraw/zinc/66/84/31/758668431.db2.gz BGJNFLHZRBFVJM-HOTGVXAUSA-N 1 2 339.403 0.894 20 30 ECEDLO Cn1ncc(C[N@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)c2ccc(C#N)[nH]2)n1 ZINC001049424249 758668433 /nfs/dbraw/zinc/66/84/33/758668433.db2.gz BGJNFLHZRBFVJM-HOTGVXAUSA-N 1 2 339.403 0.894 20 30 ECEDLO N#Cc1cncc(N2CC=C(CNC(=O)CCc3c[nH]c[nH+]3)CC2)n1 ZINC001127782154 758703400 /nfs/dbraw/zinc/70/34/00/758703400.db2.gz OAKKOWKWLQZSNZ-UHFFFAOYSA-N 1 2 337.387 0.957 20 30 ECEDLO N#Cc1cncc(N2CC=C(CNC(=O)CCc3c[nH+]c[nH]3)CC2)n1 ZINC001127782154 758703407 /nfs/dbraw/zinc/70/34/07/758703407.db2.gz OAKKOWKWLQZSNZ-UHFFFAOYSA-N 1 2 337.387 0.957 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C)nc1 ZINC001011854989 758771929 /nfs/dbraw/zinc/77/19/29/758771929.db2.gz DTKOTSRHEYWZFD-UKRRQHHQSA-N 1 2 337.383 0.679 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001011930760 758981078 /nfs/dbraw/zinc/98/10/78/758981078.db2.gz NTJUJPWBNCUKCZ-WFASDCNBSA-N 1 2 340.387 0.892 20 30 ECEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H](CC)C(N)=O)C[C@@H]2O)cc1 ZINC001083578120 759045533 /nfs/dbraw/zinc/04/55/33/759045533.db2.gz VYFXSUQSBYHTOA-OAGGEKHMSA-N 1 2 347.415 0.290 20 30 ECEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H](CC)C(N)=O)C[C@@H]2O)cc1 ZINC001083578120 759045540 /nfs/dbraw/zinc/04/55/40/759045540.db2.gz VYFXSUQSBYHTOA-OAGGEKHMSA-N 1 2 347.415 0.290 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)Cc2ccc(C)o2)[C@H](OC)C1 ZINC001212129149 759111558 /nfs/dbraw/zinc/11/15/58/759111558.db2.gz LTBAWJCJKCHJTB-HUUCEWRRSA-N 1 2 335.404 0.248 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)Cc2ccc(C)o2)[C@H](OC)C1 ZINC001212129149 759111560 /nfs/dbraw/zinc/11/15/60/759111560.db2.gz LTBAWJCJKCHJTB-HUUCEWRRSA-N 1 2 335.404 0.248 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1cn(C)nn1 ZINC001049734537 759147153 /nfs/dbraw/zinc/14/71/53/759147153.db2.gz FCYIHNKEVPSWOU-TWMKSMIVSA-N 1 2 345.447 0.972 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cn(C)nn1 ZINC001049734537 759147157 /nfs/dbraw/zinc/14/71/57/759147157.db2.gz FCYIHNKEVPSWOU-TWMKSMIVSA-N 1 2 345.447 0.972 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001012008378 759187133 /nfs/dbraw/zinc/18/71/33/759187133.db2.gz MVFXQAGPOOYFNG-JQWIXIFHSA-N 1 2 326.360 0.571 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NC[C@@H](O)CNc1cccc(F)c1C#N ZINC001105913845 762692549 /nfs/dbraw/zinc/69/25/49/762692549.db2.gz KMDQWNYLWOOSHB-LBPRGKRZSA-N 1 2 331.351 0.563 20 30 ECEDLO Cc1nnccc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083608203 759277856 /nfs/dbraw/zinc/27/78/56/759277856.db2.gz JWIMTVVOMTYTBR-SJORKVTESA-N 1 2 337.383 0.632 20 30 ECEDLO Cc1nnccc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083608203 759277862 /nfs/dbraw/zinc/27/78/62/759277862.db2.gz JWIMTVVOMTYTBR-SJORKVTESA-N 1 2 337.383 0.632 20 30 ECEDLO CN(C(=O)C[N@@H+]1CCc2sccc2C1)[C@H]1CN(CC#N)C[C@@H]1O ZINC001047636986 759368022 /nfs/dbraw/zinc/36/80/22/759368022.db2.gz STGNEZPRUZRJBF-KBPBESRZSA-N 1 2 334.445 0.133 20 30 ECEDLO CN(C(=O)C[N@H+]1CCc2sccc2C1)[C@H]1CN(CC#N)C[C@@H]1O ZINC001047636986 759368032 /nfs/dbraw/zinc/36/80/32/759368032.db2.gz STGNEZPRUZRJBF-KBPBESRZSA-N 1 2 334.445 0.133 20 30 ECEDLO Cc1nonc1C(=O)N(C)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047648407 759404838 /nfs/dbraw/zinc/40/48/38/759404838.db2.gz NCATWDIVYNNXQH-GJZGRUSLSA-N 1 2 341.371 0.567 20 30 ECEDLO Cc1nonc1C(=O)N(C)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047648407 759404840 /nfs/dbraw/zinc/40/48/40/759404840.db2.gz NCATWDIVYNNXQH-GJZGRUSLSA-N 1 2 341.371 0.567 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3c[nH]c(C(N)=O)c3)C2)s1 ZINC001032187785 759405626 /nfs/dbraw/zinc/40/56/26/759405626.db2.gz FPEARWXNHAIWPA-UHFFFAOYSA-N 1 2 343.412 0.909 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001012131872 759437909 /nfs/dbraw/zinc/43/79/09/759437909.db2.gz VLANMZCJHANKLE-GOEBONIOSA-N 1 2 348.447 0.460 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001012131872 759437913 /nfs/dbraw/zinc/43/79/13/759437913.db2.gz VLANMZCJHANKLE-GOEBONIOSA-N 1 2 348.447 0.460 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cn2cccn2)C1=O ZINC001017353294 767885059 /nfs/dbraw/zinc/88/50/59/767885059.db2.gz CKDADRWIWORCGY-XHSDSOJGSA-N 1 2 343.431 0.345 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cn2cccn2)C1=O ZINC001017353294 767885064 /nfs/dbraw/zinc/88/50/64/767885064.db2.gz CKDADRWIWORCGY-XHSDSOJGSA-N 1 2 343.431 0.345 20 30 ECEDLO Cc1nc(N(C)C)nc(NC/C=C/CNC(=O)c2cc(C#N)c[nH]2)[nH+]1 ZINC001107096040 759912997 /nfs/dbraw/zinc/91/29/97/759912997.db2.gz DUNMUOSOHOHPEH-SNAWJCMRSA-N 1 2 340.391 0.844 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H]([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001050304065 760090281 /nfs/dbraw/zinc/09/02/81/760090281.db2.gz MJDPKCUSTTVOAX-KBPBESRZSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H]([C@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001050304065 760090291 /nfs/dbraw/zinc/09/02/91/760090291.db2.gz MJDPKCUSTTVOAX-KBPBESRZSA-N 1 2 334.420 0.898 20 30 ECEDLO CC(C)n1nnnc1C[NH+]1CCC2(CN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001050460913 760303034 /nfs/dbraw/zinc/30/30/34/760303034.db2.gz AMGSQVXQEJTZCJ-CYBMUJFWSA-N 1 2 331.424 0.838 20 30 ECEDLO Cn1ncc(C[NH+]2CCC3(CN(C(=O)c4cc(C#N)c[nH]4)C3)CC2)n1 ZINC001050476155 760331328 /nfs/dbraw/zinc/33/13/28/760331328.db2.gz FRBGFMKUEUBMLN-UHFFFAOYSA-N 1 2 339.403 0.753 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCCOC2)C1=O ZINC001017408623 767944105 /nfs/dbraw/zinc/94/41/05/767944105.db2.gz QTMCZZKOYNZPQH-NXOAAHMSSA-N 1 2 347.459 0.875 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCCOC2)C1=O ZINC001017408623 767944107 /nfs/dbraw/zinc/94/41/07/767944107.db2.gz QTMCZZKOYNZPQH-NXOAAHMSSA-N 1 2 347.459 0.875 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)[C@@H]1C ZINC001050503013 760378348 /nfs/dbraw/zinc/37/83/48/760378348.db2.gz WHEKJYLCTKGFHN-YPMHNXCESA-N 1 2 325.376 0.706 20 30 ECEDLO C[C@H]([NH2+]Cc1cn([C@H]2CCN(C(=O)C#CC(C)(C)C)C2)nn1)C(N)=O ZINC001098673464 760392612 /nfs/dbraw/zinc/39/26/12/760392612.db2.gz QQJUAYFPCHHBAM-JSGCOSHPSA-N 1 2 346.435 0.064 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C)nn1 ZINC001012615845 760434342 /nfs/dbraw/zinc/43/43/42/760434342.db2.gz BFLCQVPJEUIBAJ-OLZOCXBDSA-N 1 2 343.391 0.080 20 30 ECEDLO Cc1nc(N(C)C)nc(NC/C=C\CNC(=O)c2c[nH]c(C#N)c2)[nH+]1 ZINC001107130348 760529820 /nfs/dbraw/zinc/52/98/20/760529820.db2.gz LMXPXBHRPBVTAO-PLNGDYQASA-N 1 2 340.391 0.844 20 30 ECEDLO COCc1noc(C[NH2+][C@@H]2CN(C(=O)C#CC3CC3)CC2(C)C)n1 ZINC000995798337 760620778 /nfs/dbraw/zinc/62/07/78/760620778.db2.gz NLJJLOSXPPMYLO-CYBMUJFWSA-N 1 2 332.404 0.956 20 30 ECEDLO C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001050666591 760645120 /nfs/dbraw/zinc/64/51/20/760645120.db2.gz QTNKCIYUXAYMMC-UKRRQHHQSA-N 1 2 328.416 0.729 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2occc2-c2cnn(C)c2)[C@@H](O)C1 ZINC001083723236 767972006 /nfs/dbraw/zinc/97/20/06/767972006.db2.gz AEQCEPNKLIMDAD-CABCVRRESA-N 1 2 328.372 0.478 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2occc2-c2cnn(C)c2)[C@@H](O)C1 ZINC001083723236 767972010 /nfs/dbraw/zinc/97/20/10/767972010.db2.gz AEQCEPNKLIMDAD-CABCVRRESA-N 1 2 328.372 0.478 20 30 ECEDLO C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@@H]1O ZINC001048540329 760684921 /nfs/dbraw/zinc/68/49/21/760684921.db2.gz TYULUQHBTIDLAY-SNPRPXQTSA-N 1 2 334.420 0.585 20 30 ECEDLO C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001048540329 760684927 /nfs/dbraw/zinc/68/49/27/760684927.db2.gz TYULUQHBTIDLAY-SNPRPXQTSA-N 1 2 334.420 0.585 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2noc3c2CC(C)(C)CC3)[C@@H](O)C1 ZINC001083666606 760803720 /nfs/dbraw/zinc/80/37/20/760803720.db2.gz UGPHOCJDGYTGLA-KGLIPLIRSA-N 1 2 331.416 0.988 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2noc3c2CC(C)(C)CC3)[C@@H](O)C1 ZINC001083666606 760803730 /nfs/dbraw/zinc/80/37/30/760803730.db2.gz UGPHOCJDGYTGLA-KGLIPLIRSA-N 1 2 331.416 0.988 20 30 ECEDLO C=CCOCC(=O)N[C@H](C)CCNc1ncnc2c1C[N@H+](C)CC2 ZINC001106243697 768007673 /nfs/dbraw/zinc/00/76/73/768007673.db2.gz XUPWGWBQPCKFAQ-CYBMUJFWSA-N 1 2 333.436 0.974 20 30 ECEDLO C=CCOCC(=O)N[C@H](C)CCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106243697 768007679 /nfs/dbraw/zinc/00/76/79/768007679.db2.gz XUPWGWBQPCKFAQ-CYBMUJFWSA-N 1 2 333.436 0.974 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001048762295 761130827 /nfs/dbraw/zinc/13/08/27/761130827.db2.gz RTEJOAFBPATVFG-KBPBESRZSA-N 1 2 348.447 0.975 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cnn(CCOC)c1C ZINC001050920198 761145192 /nfs/dbraw/zinc/14/51/92/761145192.db2.gz XXKHVRBBWMBIGF-OAHLLOKOSA-N 1 2 336.436 0.845 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnn(CCOC)c1C ZINC001050920198 761145195 /nfs/dbraw/zinc/14/51/95/761145195.db2.gz XXKHVRBBWMBIGF-OAHLLOKOSA-N 1 2 336.436 0.845 20 30 ECEDLO C#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001050922498 761149661 /nfs/dbraw/zinc/14/96/61/761149661.db2.gz UOBYJNOAPWTPGT-BRWVUGGUSA-N 1 2 342.443 0.604 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn(-c2cccnc2)nn1 ZINC001050947336 761192662 /nfs/dbraw/zinc/19/26/62/761192662.db2.gz UCOSDTJZADTBDE-HNNXBMFYSA-N 1 2 342.403 0.669 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn(-c2cccnc2)nn1 ZINC001050947336 761192668 /nfs/dbraw/zinc/19/26/68/761192668.db2.gz UCOSDTJZADTBDE-HNNXBMFYSA-N 1 2 342.403 0.669 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CNC(=O)c2ccccc21 ZINC001050954414 761213758 /nfs/dbraw/zinc/21/37/58/761213758.db2.gz AJAQKBRFRQYWFX-RHSMWYFYSA-N 1 2 343.427 0.907 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CNC(=O)c2ccccc21 ZINC001050954414 761213760 /nfs/dbraw/zinc/21/37/60/761213760.db2.gz AJAQKBRFRQYWFX-RHSMWYFYSA-N 1 2 343.427 0.907 20 30 ECEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H](C)CS(C)(=O)=O)CC2)C1 ZINC001105734561 761411813 /nfs/dbraw/zinc/41/18/13/761411813.db2.gz XWHPMSWHUUGEDB-CYBMUJFWSA-N 1 2 344.477 0.545 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc2ncn(C)c2n1 ZINC001051109551 761505855 /nfs/dbraw/zinc/50/58/55/761505855.db2.gz IOQNKIYKLZOQOQ-CYBMUJFWSA-N 1 2 329.404 0.975 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc2ncn(C)c2n1 ZINC001051109551 761505862 /nfs/dbraw/zinc/50/58/62/761505862.db2.gz IOQNKIYKLZOQOQ-CYBMUJFWSA-N 1 2 329.404 0.975 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2COCC[N@@H+]2CC[C@H]2CCCO2)nn1 ZINC001051152100 761570811 /nfs/dbraw/zinc/57/08/11/761570811.db2.gz CIUWESMUWQHQAM-LSDHHAIUSA-N 1 2 349.435 0.464 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2COCC[N@H+]2CC[C@H]2CCCO2)nn1 ZINC001051152100 761570818 /nfs/dbraw/zinc/57/08/18/761570818.db2.gz CIUWESMUWQHQAM-LSDHHAIUSA-N 1 2 349.435 0.464 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(-n2ccnc2)nn1 ZINC001051164775 761593459 /nfs/dbraw/zinc/59/34/59/761593459.db2.gz XMHMDHUEOOCUMB-CQSZACIVSA-N 1 2 342.403 0.669 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(-n2ccnc2)nn1 ZINC001051164775 761593468 /nfs/dbraw/zinc/59/34/68/761593468.db2.gz XMHMDHUEOOCUMB-CQSZACIVSA-N 1 2 342.403 0.669 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCN1c1cnc(C#N)cn1 ZINC001051171996 761608473 /nfs/dbraw/zinc/60/84/73/761608473.db2.gz UAQPFCRIVHUSIF-ZRJCITRHSA-N 1 2 337.387 0.958 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCN1c1cnc(C#N)cn1 ZINC001051171996 761608479 /nfs/dbraw/zinc/60/84/79/761608479.db2.gz UAQPFCRIVHUSIF-ZRJCITRHSA-N 1 2 337.387 0.958 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@]3(F)CCOC3)[C@@H](O)C2)cc1 ZINC001083726555 768055416 /nfs/dbraw/zinc/05/54/16/768055416.db2.gz PCJSJIHWJXZFRG-VYDXJSESSA-N 1 2 333.363 0.348 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@]3(F)CCOC3)[C@@H](O)C2)cc1 ZINC001083726555 768055422 /nfs/dbraw/zinc/05/54/22/768055422.db2.gz PCJSJIHWJXZFRG-VYDXJSESSA-N 1 2 333.363 0.348 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1nc2nccc(C)n2n1 ZINC001051231354 761727250 /nfs/dbraw/zinc/72/72/50/761727250.db2.gz OQTVGTOKMTUQML-ZDUSSCGKSA-N 1 2 330.392 0.439 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1nc2nccc(C)n2n1 ZINC001051231354 761727256 /nfs/dbraw/zinc/72/72/56/761727256.db2.gz OQTVGTOKMTUQML-ZDUSSCGKSA-N 1 2 330.392 0.439 20 30 ECEDLO N#Cc1cnc(N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](O)C2)c(F)c1 ZINC001051718413 762789006 /nfs/dbraw/zinc/78/90/06/762789006.db2.gz OJPGPRLIVNGUMG-STQMWFEESA-N 1 2 344.350 0.114 20 30 ECEDLO Cc1ccc(C#N)c(N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](O)C2)n1 ZINC001051719058 762790860 /nfs/dbraw/zinc/79/08/60/762790860.db2.gz RAJOIHOTXHDJLS-KGLIPLIRSA-N 1 2 340.387 0.283 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001017543311 768098598 /nfs/dbraw/zinc/09/85/98/768098598.db2.gz XYKHNRWZXWGUTF-IACUBPJLSA-N 1 2 327.388 0.948 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001017543311 768098606 /nfs/dbraw/zinc/09/86/06/768098606.db2.gz XYKHNRWZXWGUTF-IACUBPJLSA-N 1 2 327.388 0.948 20 30 ECEDLO C[C@@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001060765462 763155172 /nfs/dbraw/zinc/15/51/72/763155172.db2.gz HPUDIVYHYZWCRD-IHRRRGAJSA-N 1 2 331.420 0.913 20 30 ECEDLO NC(=O)[C@H]1CC[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031896722 763425912 /nfs/dbraw/zinc/42/59/12/763425912.db2.gz JEXVHAPDXNCLMV-IRXDYDNUSA-N 1 2 343.402 0.737 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[N@H+](CC(N)=O)CCC1(F)F ZINC001046940924 763427779 /nfs/dbraw/zinc/42/77/79/763427779.db2.gz BHYLPMXSVSHFCU-XQQFMLRXSA-N 1 2 345.390 0.526 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCC1(F)F ZINC001046940924 763427780 /nfs/dbraw/zinc/42/77/80/763427780.db2.gz BHYLPMXSVSHFCU-XQQFMLRXSA-N 1 2 345.390 0.526 20 30 ECEDLO Cn1c(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)c[nH]c1=O ZINC001031898070 763442361 /nfs/dbraw/zinc/44/23/61/763442361.db2.gz ARNPCDYLKDNJMG-UHFFFAOYSA-N 1 2 343.362 0.998 20 30 ECEDLO CC#CCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001046949493 763442742 /nfs/dbraw/zinc/44/27/42/763442742.db2.gz VBIPUFHIJJVACS-RBSFLKMASA-N 1 2 343.418 0.802 20 30 ECEDLO CC#CCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001046949493 763442745 /nfs/dbraw/zinc/44/27/45/763442745.db2.gz VBIPUFHIJJVACS-RBSFLKMASA-N 1 2 343.418 0.802 20 30 ECEDLO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001046956690 763459618 /nfs/dbraw/zinc/45/96/18/763459618.db2.gz COSKKWPAGRHNPV-LLVKDONJSA-N 1 2 339.342 0.704 20 30 ECEDLO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001046956690 763459621 /nfs/dbraw/zinc/45/96/21/763459621.db2.gz COSKKWPAGRHNPV-LLVKDONJSA-N 1 2 339.342 0.704 20 30 ECEDLO C=CCN1CC[C@H](N2CC[NH+]([C@H]3CCN(C(=O)C4CC4)C3)CC2)C1=O ZINC001051962293 763460010 /nfs/dbraw/zinc/46/00/10/763460010.db2.gz DAPFFZIDXIIRNU-IRXDYDNUSA-N 1 2 346.475 0.402 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCN([C@H]3CCN(C(=O)C4CC4)C3)CC2)C1=O ZINC001051962293 763460015 /nfs/dbraw/zinc/46/00/15/763460015.db2.gz DAPFFZIDXIIRNU-IRXDYDNUSA-N 1 2 346.475 0.402 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)Cn3cccn3)C2)CC1 ZINC001051982277 763511708 /nfs/dbraw/zinc/51/17/08/763511708.db2.gz CGEBRIUTTCVDAA-OAHLLOKOSA-N 1 2 337.855 0.854 20 30 ECEDLO CN1CC[C@H](C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)C1=O ZINC001031910821 763527672 /nfs/dbraw/zinc/52/76/72/763527672.db2.gz RBBFRLZWXQPFNY-QGZVFWFLSA-N 1 2 343.402 0.704 20 30 ECEDLO CCc1noc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)n1 ZINC001051997819 763548506 /nfs/dbraw/zinc/54/85/06/763548506.db2.gz JEVLPFOCDCYWPL-KBPBESRZSA-N 1 2 346.435 0.510 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(Cc3ccn(C)n3)CC2)C1 ZINC001051998039 763550512 /nfs/dbraw/zinc/55/05/12/763550512.db2.gz NCZJHBNVYPXFAL-ZBFHGGJFSA-N 1 2 330.436 0.298 20 30 ECEDLO CCn1ncc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)n1 ZINC001051998638 763552908 /nfs/dbraw/zinc/55/29/08/763552908.db2.gz WZPUOGZVJJDZDT-GDBMZVCRSA-N 1 2 345.451 0.176 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCCC)C[C@H]1OC ZINC001212184682 763566904 /nfs/dbraw/zinc/56/69/04/763566904.db2.gz DFHXUQSUOLAKFG-ARFHVFGLSA-N 1 2 337.464 0.910 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCCC)C[C@H]1OC ZINC001212184682 763566912 /nfs/dbraw/zinc/56/69/12/763566912.db2.gz DFHXUQSUOLAKFG-ARFHVFGLSA-N 1 2 337.464 0.910 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)n3cncn3)C2)CC1 ZINC001052017527 763594570 /nfs/dbraw/zinc/59/45/70/763594570.db2.gz MJJMCKBJUFDEPD-HZPDHXFCSA-N 1 2 330.436 0.081 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)CC1 ZINC001052021521 763604882 /nfs/dbraw/zinc/60/48/82/763604882.db2.gz DORJKBKQZXNVMX-OLZOCXBDSA-N 1 2 342.827 0.066 20 30 ECEDLO Cc1noc(CN2CC[NH+]([C@@H]3CCN(C(=O)C#CC4CC4)C3)CC2)n1 ZINC001052025474 763616355 /nfs/dbraw/zinc/61/63/55/763616355.db2.gz FMBOAEVELILONE-MRXNPFEDSA-N 1 2 343.431 0.510 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc4c([nH]3)CCOC4)C2)CC1 ZINC001052035392 763642482 /nfs/dbraw/zinc/64/24/82/763642482.db2.gz BZEWCBRAWUMGOI-OAHLLOKOSA-N 1 2 343.431 0.443 20 30 ECEDLO CC(C)(C)n1cc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)nn1 ZINC001052036731 763650776 /nfs/dbraw/zinc/65/07/76/763650776.db2.gz TVWJFMHTKDKSAC-AWEZNQCLSA-N 1 2 345.451 0.389 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)C3(F)CCOCC3)C2)CC1 ZINC001052036919 763652434 /nfs/dbraw/zinc/65/24/34/763652434.db2.gz YBXFWZXBHBJOPV-OAHLLOKOSA-N 1 2 325.428 0.910 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn4c(n3)COCC4)C2)CC1 ZINC001052042984 763673683 /nfs/dbraw/zinc/67/36/83/763673683.db2.gz MBFSMDITHPGANH-HNNXBMFYSA-N 1 2 345.447 0.431 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CN(C(=O)CSCC#N)C[C@@H]1C ZINC001052045240 763682299 /nfs/dbraw/zinc/68/22/99/763682299.db2.gz PFLPWNHPCMXGBO-AAEUAGOBSA-N 1 2 349.460 0.728 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001052046350 763687391 /nfs/dbraw/zinc/68/73/91/763687391.db2.gz ZLGAVEOCRNHEOO-RYUDHWBXSA-N 1 2 335.433 0.420 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3c[nH]nc3CC)C2)CC1 ZINC001052048327 763695523 /nfs/dbraw/zinc/69/55/23/763695523.db2.gz QLGHGLHTEREGMK-HNNXBMFYSA-N 1 2 329.448 0.828 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)CCc3cncnc3)C2)CC1 ZINC001052052060 763713699 /nfs/dbraw/zinc/71/36/99/763713699.db2.gz GYQWIIGIWGPIPW-SFHVURJKSA-N 1 2 341.459 0.651 20 30 ECEDLO N#Cc1cncc(NC[C@@H](O)CNC(=O)c2cccc3[nH+]ccn32)n1 ZINC001106017773 763724664 /nfs/dbraw/zinc/72/46/64/763724664.db2.gz NNQXGHIVNFWQOW-GFCCVEGCSA-N 1 2 337.343 0.199 20 30 ECEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)c2cccc3[nH+]ccn32)cn1 ZINC001106017740 763725087 /nfs/dbraw/zinc/72/50/87/763725087.db2.gz MWSFTGCUAYJUMR-CQSZACIVSA-N 1 2 336.355 0.804 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC(=O)NC3)C2)c1 ZINC001015042078 763734820 /nfs/dbraw/zinc/73/48/20/763734820.db2.gz HXTCJSKVCHZJIW-DZGCQCFKSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCC(=O)NC3)C2)c1 ZINC001015042078 763734825 /nfs/dbraw/zinc/73/48/25/763734825.db2.gz HXTCJSKVCHZJIW-DZGCQCFKSA-N 1 2 344.390 0.914 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3CCC(=O)N3C)C2)CC1 ZINC001052061071 763742683 /nfs/dbraw/zinc/74/26/83/763742683.db2.gz RTZUTTUKGRFEKW-IAGOWNOFSA-N 1 2 346.475 0.239 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H](N2CC[NH+]([C@H](CC)C(N)=O)CC2)C1 ZINC001052060962 763743363 /nfs/dbraw/zinc/74/33/63/763743363.db2.gz OSYDXVDAFMEQAW-HUUCEWRRSA-N 1 2 336.480 0.681 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN([C@H](CC)C(N)=O)CC2)C1 ZINC001052060962 763743370 /nfs/dbraw/zinc/74/33/70/763743370.db2.gz OSYDXVDAFMEQAW-HUUCEWRRSA-N 1 2 336.480 0.681 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)c3cncnc3)C2)CC1 ZINC001052071750 763773180 /nfs/dbraw/zinc/77/31/80/763773180.db2.gz YRYLUALYKTWUSK-WMZOPIPTSA-N 1 2 341.459 0.822 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001015063798 763790990 /nfs/dbraw/zinc/79/09/90/763790990.db2.gz ZKNSMFNIMSXGJH-ZDUSSCGKSA-N 1 2 326.360 0.689 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001015063798 763790998 /nfs/dbraw/zinc/79/09/98/763790998.db2.gz ZKNSMFNIMSXGJH-ZDUSSCGKSA-N 1 2 326.360 0.689 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3nnn(CC)c3CC)C2)CC1 ZINC001052081192 763797388 /nfs/dbraw/zinc/79/73/88/763797388.db2.gz KRJANUIVOGLYCY-HNNXBMFYSA-N 1 2 346.479 0.879 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@H](N3CC[NH+]([C@@H](CC)C(N)=O)CC3)C2)C1 ZINC001052082142 763800195 /nfs/dbraw/zinc/80/01/95/763800195.db2.gz RBNYDRSEXCQBMI-CVEARBPZSA-N 1 2 348.491 0.825 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([NH+]3CCN([C@@H](CC)C(N)=O)CC3)C2)C1 ZINC001052082142 763800205 /nfs/dbraw/zinc/80/02/05/763800205.db2.gz RBNYDRSEXCQBMI-CVEARBPZSA-N 1 2 348.491 0.825 20 30 ECEDLO CCn1nc(C)cc1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052085290 763810888 /nfs/dbraw/zinc/81/08/88/763810888.db2.gz CQTQGGQLIASIOL-OAHLLOKOSA-N 1 2 330.436 0.567 20 30 ECEDLO Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052087102 763816976 /nfs/dbraw/zinc/81/69/76/763816976.db2.gz YXJMCKMEYWPALC-ARFHVFGLSA-N 1 2 342.447 0.266 20 30 ECEDLO C#Cc1cncc(C(=O)NCC2C[NH+](C[C@H]3CCS(=O)(=O)C3)C2)c1 ZINC001031963566 763827114 /nfs/dbraw/zinc/82/71/14/763827114.db2.gz PBQUCBMGGJLLJL-CQSZACIVSA-N 1 2 347.440 0.159 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([NH+]3CCN(CCF)CC3)C2)nn1 ZINC001052093306 763836521 /nfs/dbraw/zinc/83/65/21/763836521.db2.gz NKVMFWNTOFFZFL-CQSZACIVSA-N 1 2 336.415 0.266 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccn(C(C)C)n3)C2)CC1 ZINC001052094452 763839817 /nfs/dbraw/zinc/83/98/17/763839817.db2.gz SZGKVQHJGKEKRA-INIZCTEOSA-N 1 2 329.448 0.929 20 30 ECEDLO COc1c(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)c(C)nn1C ZINC001052094592 763841231 /nfs/dbraw/zinc/84/12/31/763841231.db2.gz VQXDYLMSNGRORR-CQSZACIVSA-N 1 2 346.435 0.093 20 30 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CC#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001052799728 765142804 /nfs/dbraw/zinc/14/28/04/765142804.db2.gz UEXHMDYKJVSTGA-CYBMUJFWSA-N 1 2 342.403 0.065 20 30 ECEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001052799728 765142811 /nfs/dbraw/zinc/14/28/11/765142811.db2.gz UEXHMDYKJVSTGA-CYBMUJFWSA-N 1 2 342.403 0.065 20 30 ECEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001052799670 765143273 /nfs/dbraw/zinc/14/32/73/765143273.db2.gz SFHDGIXMMBCLQM-GFCCVEGCSA-N 1 2 330.392 0.228 20 30 ECEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001052799670 765143277 /nfs/dbraw/zinc/14/32/77/765143277.db2.gz SFHDGIXMMBCLQM-GFCCVEGCSA-N 1 2 330.392 0.228 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c1 ZINC001015711282 765212271 /nfs/dbraw/zinc/21/22/71/765212271.db2.gz CQDFVTVWDPASFG-MCIONIFRSA-N 1 2 330.363 0.509 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c1 ZINC001015711282 765212274 /nfs/dbraw/zinc/21/22/74/765212274.db2.gz CQDFVTVWDPASFG-MCIONIFRSA-N 1 2 330.363 0.509 20 30 ECEDLO C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCCc3[nH]ncc32)C1=O ZINC001127338318 768288686 /nfs/dbraw/zinc/28/86/86/768288686.db2.gz CTNIGXXKMPMJOO-SWLSCSKDSA-N 1 2 331.420 0.322 20 30 ECEDLO Cn1ncc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC001015844705 765429878 /nfs/dbraw/zinc/42/98/78/765429878.db2.gz KGTOUSQDPCCDJS-HNNXBMFYSA-N 1 2 327.363 0.810 20 30 ECEDLO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC001015844705 765429883 /nfs/dbraw/zinc/42/98/83/765429883.db2.gz KGTOUSQDPCCDJS-HNNXBMFYSA-N 1 2 327.363 0.810 20 30 ECEDLO C=CCOCC(=O)NC[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001053035245 765509881 /nfs/dbraw/zinc/50/98/81/765509881.db2.gz UNBQTGNQHFJYDR-KGLIPLIRSA-N 1 2 334.420 0.376 20 30 ECEDLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1CNC(=O)C#CC1CC1 ZINC001053073836 765548103 /nfs/dbraw/zinc/54/81/03/765548103.db2.gz LHGRYFPJDPHOKA-HOCLYGCPSA-N 1 2 328.416 0.897 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C)cc3=O)C2)C1=O ZINC001015937271 765579828 /nfs/dbraw/zinc/57/98/28/765579828.db2.gz AHSIDYGIVGNOCN-DZGCQCFKSA-N 1 2 344.415 0.274 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3c[nH]c(C)cc3=O)C2)C1=O ZINC001015937271 765579831 /nfs/dbraw/zinc/57/98/31/765579831.db2.gz AHSIDYGIVGNOCN-DZGCQCFKSA-N 1 2 344.415 0.274 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001015969909 765639827 /nfs/dbraw/zinc/63/98/27/765639827.db2.gz YTUYJPDEQHCVHN-AWEZNQCLSA-N 1 2 344.415 0.729 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001015969909 765639833 /nfs/dbraw/zinc/63/98/33/765639833.db2.gz YTUYJPDEQHCVHN-AWEZNQCLSA-N 1 2 344.415 0.729 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000992149793 765671838 /nfs/dbraw/zinc/67/18/38/765671838.db2.gz DASUZOIKRNMOKL-QKRUXVEJSA-N 1 2 346.431 0.944 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001077498692 765718206 /nfs/dbraw/zinc/71/82/06/765718206.db2.gz VDNCSKYFSOXVPE-KBPBESRZSA-N 1 2 336.436 0.955 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(CC)on3)C2)C1=O ZINC001016015882 765722951 /nfs/dbraw/zinc/72/29/51/765722951.db2.gz CTQXPMAUZPLJJU-DOMZBBRYSA-N 1 2 332.404 0.828 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3cc(CC)on3)C2)C1=O ZINC001016015882 765722959 /nfs/dbraw/zinc/72/29/59/765722959.db2.gz CTQXPMAUZPLJJU-DOMZBBRYSA-N 1 2 332.404 0.828 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001016175677 765868883 /nfs/dbraw/zinc/86/88/83/765868883.db2.gz RXOONYFBUOCVGP-JTQLQIEISA-N 1 2 328.800 0.260 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001016175677 765868887 /nfs/dbraw/zinc/86/88/87/765868887.db2.gz RXOONYFBUOCVGP-JTQLQIEISA-N 1 2 328.800 0.260 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](C)N1C(=O)CCC1=O)CCO2 ZINC001053275542 765882396 /nfs/dbraw/zinc/88/23/96/765882396.db2.gz IMISQFZTIRJSFT-ZDUSSCGKSA-N 1 2 335.404 0.013 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cnc3n1CCOC3)CCO2 ZINC001053296520 765926547 /nfs/dbraw/zinc/92/65/47/765926547.db2.gz PAENLQUUDMFWEE-UHFFFAOYSA-N 1 2 332.404 0.516 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 ZINC001106121807 766166071 /nfs/dbraw/zinc/16/60/71/766166071.db2.gz KFXBVFWSYZMKPK-BFHYXJOUSA-N 1 2 340.387 0.379 20 30 ECEDLO C=CCCC1(C(=O)NCC2(O)CN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001045772867 766350837 /nfs/dbraw/zinc/35/08/37/766350837.db2.gz QNHAAYMMEBFHGY-UHFFFAOYSA-N 1 2 332.404 0.388 20 30 ECEDLO CO[C@@H]1C[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212248989 766364717 /nfs/dbraw/zinc/36/47/17/766364717.db2.gz SEMIDAIZZSNSBT-BZUAXINKSA-N 1 2 349.475 0.861 20 30 ECEDLO CO[C@@H]1C[N@H+]([C@@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212248989 766364727 /nfs/dbraw/zinc/36/47/27/766364727.db2.gz SEMIDAIZZSNSBT-BZUAXINKSA-N 1 2 349.475 0.861 20 30 ECEDLO C=CCN1CC[C@H]([NH2+]Cc2nc3c(s2)CCN(C(C)=O)C3)C1=O ZINC001089266041 766403913 /nfs/dbraw/zinc/40/39/13/766403913.db2.gz HLEZMHYAQCLMDA-LBPRGKRZSA-N 1 2 334.445 0.924 20 30 ECEDLO CC#CCN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCn3c[nH+]cc3C1)O2 ZINC001053618083 766444549 /nfs/dbraw/zinc/44/45/49/766444549.db2.gz OHPALJLMYOYTML-NVXWUHKLSA-N 1 2 342.443 0.818 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cn(C)nc1COC)O2 ZINC001053618958 766447056 /nfs/dbraw/zinc/44/70/56/766447056.db2.gz GYMLYQLPCARJTJ-CYBMUJFWSA-N 1 2 334.420 0.716 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(C(N)=O)o1)O2 ZINC001053626448 766468664 /nfs/dbraw/zinc/46/86/64/766468664.db2.gz WOAVBRPORATBFA-GFCCVEGCSA-N 1 2 333.388 0.918 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(=O)c(OC)co1)O2 ZINC001053628715 766474636 /nfs/dbraw/zinc/47/46/36/766474636.db2.gz WCKVRYRKSCJYOS-LBPRGKRZSA-N 1 2 334.372 0.798 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCNC(=O)CC1)O2 ZINC001053638585 766493448 /nfs/dbraw/zinc/49/34/48/766493448.db2.gz QGDLLHRBYUHQQC-GJZGRUSLSA-N 1 2 335.448 0.828 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1nc3ncccn3n1)O2 ZINC001053678106 766563744 /nfs/dbraw/zinc/56/37/44/766563744.db2.gz PDBDIFVEPUZBGD-ZDUSSCGKSA-N 1 2 342.403 0.664 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCCN(C)C1=O)O2 ZINC001053685931 766584637 /nfs/dbraw/zinc/58/46/37/766584637.db2.gz BWUKYPWDJAVQAR-LSDHHAIUSA-N 1 2 335.448 0.781 20 30 ECEDLO Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)C[C@@H](C)n2cc[nH+]c2)n1 ZINC001106131727 766589862 /nfs/dbraw/zinc/58/98/62/766589862.db2.gz ITLZTYUDBUSJCS-UKRRQHHQSA-N 1 2 342.403 0.999 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCN(C(C)=O)C1)O2 ZINC001053689939 766595707 /nfs/dbraw/zinc/59/57/07/766595707.db2.gz FWFZWDDSEVXNOK-JKSUJKDBSA-N 1 2 335.448 0.781 20 30 ECEDLO Cc1cc(NC[C@@H](O)CNC(=O)C[C@@H](C)n2cc[nH+]c2)c(C#N)cn1 ZINC001106131863 766596651 /nfs/dbraw/zinc/59/66/51/766596651.db2.gz LVWPXBHSVBEPRF-UKRRQHHQSA-N 1 2 342.403 0.420 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCC(=O)N1C)O2 ZINC001053693643 766602446 /nfs/dbraw/zinc/60/24/46/766602446.db2.gz HJRXOFYUFXKCLR-LSDHHAIUSA-N 1 2 335.448 0.923 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CN(CC)CCO1)O2 ZINC001053699353 766617079 /nfs/dbraw/zinc/61/70/79/766617079.db2.gz DFXLEENMCDQQAP-HOTGVXAUSA-N 1 2 337.464 0.633 20 30 ECEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1OC ZINC001213269315 766621738 /nfs/dbraw/zinc/62/17/38/766621738.db2.gz KHMJOTSYUJGCAC-HZPDHXFCSA-N 1 2 335.448 0.618 20 30 ECEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1OC ZINC001213269315 766621743 /nfs/dbraw/zinc/62/17/43/766621743.db2.gz KHMJOTSYUJGCAC-HZPDHXFCSA-N 1 2 335.448 0.618 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCc3nnc(C)n3C1)O2 ZINC001053701152 766622206 /nfs/dbraw/zinc/62/22/06/766622206.db2.gz NKKVUWXHXVFPEA-HUUCEWRRSA-N 1 2 345.447 0.685 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3ccn[nH]3)CC2)C1 ZINC001046017112 766654184 /nfs/dbraw/zinc/65/41/84/766654184.db2.gz MGEZINAPEFBDRZ-HNNXBMFYSA-N 1 2 337.855 0.923 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)Cc3ccn[nH]3)CC2)C1 ZINC001046017112 766654189 /nfs/dbraw/zinc/65/41/89/766654189.db2.gz MGEZINAPEFBDRZ-HNNXBMFYSA-N 1 2 337.855 0.923 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cnn4c3CCC4)CC2)C1 ZINC001046035912 766722618 /nfs/dbraw/zinc/72/26/18/766722618.db2.gz WDJNQYKTNZMIRL-CQSZACIVSA-N 1 2 328.420 0.185 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cnc4[nH]ccc4c3)CC2)C1 ZINC001046036695 766728532 /nfs/dbraw/zinc/72/85/32/766728532.db2.gz DZBSVYJKHBKCSW-INIZCTEOSA-N 1 2 338.415 0.870 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@H]3Cc4ccccc4O3)CC2)C1 ZINC001046041407 766752668 /nfs/dbraw/zinc/75/26/68/766752668.db2.gz IIDJDDUQEHSLLT-SJLPKXTDSA-N 1 2 340.427 0.732 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3ccc4n[nH]cc4c3)CC2)C1 ZINC001046054074 766799458 /nfs/dbraw/zinc/79/94/58/766799458.db2.gz IFNDLQJKZYXQDL-MRXNPFEDSA-N 1 2 338.415 0.919 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3CCc4cccnc43)CC2)C1 ZINC001046054411 766799806 /nfs/dbraw/zinc/79/98/06/766799806.db2.gz MWKCFDWAERLYRQ-IAGOWNOFSA-N 1 2 339.443 0.853 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3ccc4nonc4c3)CC2)C1 ZINC001046058829 766820650 /nfs/dbraw/zinc/82/06/50/766820650.db2.gz TUYKKUDETSFKFI-CQSZACIVSA-N 1 2 340.387 0.578 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cccc4c3OCC4)CC2)C1 ZINC001046067902 766860479 /nfs/dbraw/zinc/86/04/79/766860479.db2.gz XXXFWKCKNIGWBH-MRXNPFEDSA-N 1 2 340.427 0.977 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(OC2CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC000994821251 766883649 /nfs/dbraw/zinc/88/36/49/766883649.db2.gz FQVYRKVJONTGCS-GFCCVEGCSA-N 1 2 345.403 0.330 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn(C3CCC3)nn1)CO2 ZINC001053804101 766891441 /nfs/dbraw/zinc/89/14/41/766891441.db2.gz KRKXXODANYLNFC-CYBMUJFWSA-N 1 2 329.404 0.600 20 30 ECEDLO COc1cccc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)n1 ZINC001046074718 766892480 /nfs/dbraw/zinc/89/24/80/766892480.db2.gz FLWMOAZQWBNJIQ-AWEZNQCLSA-N 1 2 329.404 0.446 20 30 ECEDLO CCCn1cc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)nn1 ZINC001046075392 766894979 /nfs/dbraw/zinc/89/49/79/766894979.db2.gz RYWRXIPLZSJCRD-AWEZNQCLSA-N 1 2 331.424 0.044 20 30 ECEDLO C[C@H](C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1)c1cccnc1 ZINC001046076795 766905057 /nfs/dbraw/zinc/90/50/57/766905057.db2.gz PZNMZCPGXYXAOK-RDJZCZTQSA-N 1 2 327.432 0.927 20 30 ECEDLO Cc1n[nH]c(C)c1CCC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046082561 766921892 /nfs/dbraw/zinc/92/18/92/766921892.db2.gz UJIQGOFILDARJU-MRXNPFEDSA-N 1 2 344.463 0.701 20 30 ECEDLO CC(C)c1nn(C)cc1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046084178 766924391 /nfs/dbraw/zinc/92/43/91/766924391.db2.gz LLMKJNATLUSJPH-OAHLLOKOSA-N 1 2 344.463 0.899 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3COc4ccccc43)CC2)C1 ZINC001046089531 766930975 /nfs/dbraw/zinc/93/09/75/766930975.db2.gz GLSFEZAFWBYTFX-DOTOQJQBSA-N 1 2 340.427 0.905 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC(C)C)C1)CO2 ZINC001053820430 766933693 /nfs/dbraw/zinc/93/36/93/766933693.db2.gz BOEMGFVOXZRDHR-HZPDHXFCSA-N 1 2 347.459 0.474 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1ccc(C(F)F)n1)CO2 ZINC001053824666 766946572 /nfs/dbraw/zinc/94/65/72/766946572.db2.gz APDPWJDYFHKLCK-LBPRGKRZSA-N 1 2 338.358 0.804 20 30 ECEDLO C=CCOCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cc[nH+]c1)C2 ZINC001053845859 767001105 /nfs/dbraw/zinc/00/11/05/767001105.db2.gz ZRQDKNXUXYHEAA-MUJYYYPQSA-N 1 2 346.431 0.972 20 30 ECEDLO CCn1nncc1C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046250779 767109746 /nfs/dbraw/zinc/10/97/46/767109746.db2.gz FIDXEBMLEQCRDX-MRXNPFEDSA-N 1 2 327.392 0.892 20 30 ECEDLO CCn1nncc1C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046250779 767109747 /nfs/dbraw/zinc/10/97/47/767109747.db2.gz FIDXEBMLEQCRDX-MRXNPFEDSA-N 1 2 327.392 0.892 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1cc(CC)nn1C)CO2 ZINC001053877295 767119396 /nfs/dbraw/zinc/11/93/96/767119396.db2.gz WGDULFVQOUHMSH-OAHLLOKOSA-N 1 2 330.432 0.508 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2ccnn2C2CCC2)[C@H](OC)C1 ZINC001212292316 767170793 /nfs/dbraw/zinc/17/07/93/767170793.db2.gz XKBAXNJQDGTPFS-NVXWUHKLSA-N 1 2 346.431 0.687 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2ccnn2C2CCC2)[C@H](OC)C1 ZINC001212292316 767170794 /nfs/dbraw/zinc/17/07/94/767170794.db2.gz XKBAXNJQDGTPFS-NVXWUHKLSA-N 1 2 346.431 0.687 20 30 ECEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1OC ZINC001212325023 767218994 /nfs/dbraw/zinc/21/89/94/767218994.db2.gz NOMSUCWEQRICMF-ZIAGYGMSSA-N 1 2 325.453 0.929 20 30 ECEDLO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1OC ZINC001212325023 767218995 /nfs/dbraw/zinc/21/89/95/767218995.db2.gz NOMSUCWEQRICMF-ZIAGYGMSSA-N 1 2 325.453 0.929 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000939498631 767295021 /nfs/dbraw/zinc/29/50/21/767295021.db2.gz HNBYLGZQACENKF-IAQYHMDHSA-N 1 2 342.378 0.995 20 30 ECEDLO CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001038592550 767315765 /nfs/dbraw/zinc/31/57/65/767315765.db2.gz NUTVHNGDZGWPCA-FZMZJTMJSA-N 1 2 332.429 0.931 20 30 ECEDLO CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001038592550 767315772 /nfs/dbraw/zinc/31/57/72/767315772.db2.gz NUTVHNGDZGWPCA-FZMZJTMJSA-N 1 2 332.429 0.931 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3[nH]c(=O)[nH]c3n1)CO2 ZINC001053907566 767325779 /nfs/dbraw/zinc/32/57/79/767325779.db2.gz ZLARERSLFFKDCV-LLVKDONJSA-N 1 2 341.371 0.260 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NCC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC001060462717 767437729 /nfs/dbraw/zinc/43/77/29/767437729.db2.gz IVYDQGATUGBWRV-LBPRGKRZSA-N 1 2 340.387 0.821 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@H+](CC(=O)NC3CC3)C2)nn1 ZINC001046690288 767487480 /nfs/dbraw/zinc/48/74/80/767487480.db2.gz SYUWHJTTWVMADS-QGZVFWFLSA-N 1 2 346.435 0.327 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@@H+](CC(=O)NC3CC3)C2)nn1 ZINC001046690288 767487485 /nfs/dbraw/zinc/48/74/85/767487485.db2.gz SYUWHJTTWVMADS-QGZVFWFLSA-N 1 2 346.435 0.327 20 30 ECEDLO C=CCn1cc(C(=O)NC2CC(N(C)C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC001017107373 767597141 /nfs/dbraw/zinc/59/71/41/767597141.db2.gz FSIVQFUFNXMYMQ-UHFFFAOYSA-N 1 2 343.391 0.149 20 30 ECEDLO Cn1cnnc1C[N@H+](C)C[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001017110078 767604044 /nfs/dbraw/zinc/60/40/44/767604044.db2.gz WKUGDOLQVOIUEX-CYBMUJFWSA-N 1 2 341.419 0.999 20 30 ECEDLO Cn1cnnc1C[N@@H+](C)C[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001017110078 767604047 /nfs/dbraw/zinc/60/40/47/767604047.db2.gz WKUGDOLQVOIUEX-CYBMUJFWSA-N 1 2 341.419 0.999 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C(N)=O)cs1)CO2 ZINC001054017978 767610380 /nfs/dbraw/zinc/61/03/80/767610380.db2.gz RCSRDSCYLMXPFW-GFCCVEGCSA-N 1 2 333.413 0.443 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1ccc(C(N)=O)cc1)CO2 ZINC001054020180 767614020 /nfs/dbraw/zinc/61/40/20/767614020.db2.gz HSOATSQBBLLLEO-MRXNPFEDSA-N 1 2 341.411 0.311 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cccc(C(N)=O)n1 ZINC001054061104 767658478 /nfs/dbraw/zinc/65/84/78/767658478.db2.gz ULBNCZFRGKQLAT-MRXNPFEDSA-N 1 2 348.406 0.970 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cccc(C(N)=O)n1 ZINC001054061104 767658482 /nfs/dbraw/zinc/65/84/82/767658482.db2.gz ULBNCZFRGKQLAT-MRXNPFEDSA-N 1 2 348.406 0.970 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)NC[C@H](O)CNc1ccc(C#N)cn1 ZINC001106184737 767768881 /nfs/dbraw/zinc/76/88/81/767768881.db2.gz PJVBTCVDRULXRS-CYBMUJFWSA-N 1 2 328.376 0.209 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1 ZINC001055063699 768552298 /nfs/dbraw/zinc/55/22/98/768552298.db2.gz BAVYLLNUSXYHKH-XBFCOCLRSA-N 1 2 337.387 0.550 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1 ZINC001055075507 768557477 /nfs/dbraw/zinc/55/74/77/768557477.db2.gz VLYFRZPVKYQBSV-SNPRPXQTSA-N 1 2 337.387 0.848 20 30 ECEDLO C[C@H](CCNc1ccnc(C#N)n1)NC(=O)CCc1[nH+]ccn1C ZINC001106658599 768574343 /nfs/dbraw/zinc/57/43/43/768574343.db2.gz KWSWZTAQIVWBHF-GFCCVEGCSA-N 1 2 327.392 0.443 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2cc[nH]c2CC)[C@H](OC)C1 ZINC001212206379 768632471 /nfs/dbraw/zinc/63/24/71/768632471.db2.gz SHAZLTAXVDUFSX-HUUCEWRRSA-N 1 2 334.420 0.308 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c2CC)[C@H](OC)C1 ZINC001212206379 768632477 /nfs/dbraw/zinc/63/24/77/768632477.db2.gz SHAZLTAXVDUFSX-HUUCEWRRSA-N 1 2 334.420 0.308 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2ccnc2)nn1 ZINC001018063645 768679135 /nfs/dbraw/zinc/67/91/35/768679135.db2.gz RVJWPRHRACNOPG-GASCZTMLSA-N 1 2 336.399 0.974 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2ccnc2)nn1 ZINC001018063645 768679139 /nfs/dbraw/zinc/67/91/39/768679139.db2.gz RVJWPRHRACNOPG-GASCZTMLSA-N 1 2 336.399 0.974 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@@H]1C ZINC000993409299 768970294 /nfs/dbraw/zinc/97/02/94/768970294.db2.gz GDMJJSLPBFNTFJ-QWHCGFSZSA-N 1 2 349.884 0.744 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@@H]1C ZINC000993409299 768970297 /nfs/dbraw/zinc/97/02/97/768970297.db2.gz GDMJJSLPBFNTFJ-QWHCGFSZSA-N 1 2 349.884 0.744 20 30 ECEDLO CCN(CCNc1ccnc(C#N)n1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001106802733 769049744 /nfs/dbraw/zinc/04/97/44/769049744.db2.gz LKLACZLUWVXCGA-UHFFFAOYSA-N 1 2 327.392 0.731 20 30 ECEDLO CCN(CCNc1cc(C)ncc1C#N)C(=O)Cc1c[nH+]cn1C ZINC001106802944 769049846 /nfs/dbraw/zinc/04/98/46/769049846.db2.gz OEJQIGQMXVBFGZ-UHFFFAOYSA-N 1 2 326.404 0.920 20 30 ECEDLO N#Cc1nccc(N2C[C@@H]3CCC[C@]3(NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001055540980 769064028 /nfs/dbraw/zinc/06/40/28/769064028.db2.gz AXJIEGURZLIPET-GUYCJALGSA-N 1 2 337.387 0.720 20 30 ECEDLO C=CC[N@H+]1CCC[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@@H]1C ZINC000993495564 769174612 /nfs/dbraw/zinc/17/46/12/769174612.db2.gz VQWDOOPDNIMYKI-GXTWGEPZSA-N 1 2 326.462 0.966 20 30 ECEDLO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@@H]1C ZINC000993495564 769174617 /nfs/dbraw/zinc/17/46/17/769174617.db2.gz VQWDOOPDNIMYKI-GXTWGEPZSA-N 1 2 326.462 0.966 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H]1C ZINC000993511225 769175556 /nfs/dbraw/zinc/17/55/56/769175556.db2.gz MSZIVZVYXJOTHN-NEPJUHHUSA-N 1 2 327.816 0.303 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H]1C ZINC000993511225 769175567 /nfs/dbraw/zinc/17/55/67/769175567.db2.gz MSZIVZVYXJOTHN-NEPJUHHUSA-N 1 2 327.816 0.303 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)Cc3cc[nH]n3)C2)CC1 ZINC001018362179 769197731 /nfs/dbraw/zinc/19/77/31/769197731.db2.gz CIHLCCIUYKNSOO-OAHLLOKOSA-N 1 2 345.447 0.521 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3c[nH]c(C)n3)C2)CC1 ZINC001018362177 769198463 /nfs/dbraw/zinc/19/84/63/769198463.db2.gz CGVWLDGAPZSHBJ-OAHLLOKOSA-N 1 2 345.447 0.901 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H]1C ZINC000993522128 769220276 /nfs/dbraw/zinc/22/02/76/769220276.db2.gz PIBHHEQOHFEQND-UONOGXRCSA-N 1 2 342.871 0.482 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H]1C ZINC000993522128 769220285 /nfs/dbraw/zinc/22/02/85/769220285.db2.gz PIBHHEQOHFEQND-UONOGXRCSA-N 1 2 342.871 0.482 20 30 ECEDLO C=CC(C)(C)C(=O)NC1CC[NH+](CCNC(=O)c2ncn[nH]2)CC1 ZINC001055615607 769265242 /nfs/dbraw/zinc/26/52/42/769265242.db2.gz XDWSZBUZWPNOIA-UHFFFAOYSA-N 1 2 334.424 0.327 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH+]1CCC(NC(=O)c2ncn[nH]2)CC1 ZINC001055619261 769269908 /nfs/dbraw/zinc/26/99/08/769269908.db2.gz WMXOZMDJYROWFI-CHWSQXEVSA-N 1 2 348.451 0.573 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH+]1CCC(NC(=O)c2nc[nH]n2)CC1 ZINC001055619261 769269912 /nfs/dbraw/zinc/26/99/12/769269912.db2.gz WMXOZMDJYROWFI-CHWSQXEVSA-N 1 2 348.451 0.573 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3[nH]cnc3C)C2)CC1 ZINC001018388810 769272859 /nfs/dbraw/zinc/27/28/59/769272859.db2.gz RCWATUVFEXZYLI-HNNXBMFYSA-N 1 2 345.447 0.901 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)[C@H]1C ZINC000993573187 769273710 /nfs/dbraw/zinc/27/37/10/769273710.db2.gz SVAMYFCLBAGTIW-ZBFHGGJFSA-N 1 2 332.448 0.977 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)[C@H]1C ZINC000993573187 769273711 /nfs/dbraw/zinc/27/37/11/769273711.db2.gz SVAMYFCLBAGTIW-ZBFHGGJFSA-N 1 2 332.448 0.977 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)C1CC1 ZINC000993600549 769343748 /nfs/dbraw/zinc/34/37/48/769343748.db2.gz BRELDGYPKPJSSB-HUUCEWRRSA-N 1 2 326.400 0.654 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2nnn(C)n2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000993688149 769519320 /nfs/dbraw/zinc/51/93/20/769519320.db2.gz NCPAYUSWRGCBIX-ZWNOBZJWSA-N 1 2 345.432 0.926 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2nnn(C)n2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000993688149 769519327 /nfs/dbraw/zinc/51/93/27/769519327.db2.gz NCPAYUSWRGCBIX-ZWNOBZJWSA-N 1 2 345.432 0.926 20 30 ECEDLO COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)C#N)CCCO2)n1 ZINC001078359754 782770904 /nfs/dbraw/zinc/77/09/04/782770904.db2.gz DGBJEVZFJHPOPH-NWDGAFQWSA-N 1 2 337.380 0.083 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)[C@@H]2C)cc1 ZINC000993932391 769849030 /nfs/dbraw/zinc/84/90/30/769849030.db2.gz HKMDTGQAPDWYRO-CJNGLKHVSA-N 1 2 329.400 0.767 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)[C@@H]2C)cc1 ZINC000993932391 769849042 /nfs/dbraw/zinc/84/90/42/769849042.db2.gz HKMDTGQAPDWYRO-CJNGLKHVSA-N 1 2 329.400 0.767 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccnn3C)[C@H]2C)nn1 ZINC000993949564 769930742 /nfs/dbraw/zinc/93/07/42/769930742.db2.gz KLDVZSGBLKMFBV-ZFWWWQNUSA-N 1 2 343.435 0.981 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccnn3C)[C@H]2C)nn1 ZINC000993949564 769930750 /nfs/dbraw/zinc/93/07/50/769930750.db2.gz KLDVZSGBLKMFBV-ZFWWWQNUSA-N 1 2 343.435 0.981 20 30 ECEDLO C=CCC[N@H+]1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H]1C ZINC000994005989 769996375 /nfs/dbraw/zinc/99/63/75/769996375.db2.gz JBNJWDSSIVUBCU-TZMCWYRMSA-N 1 2 344.419 0.616 20 30 ECEDLO C=CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H]1C ZINC000994005989 769996382 /nfs/dbraw/zinc/99/63/82/769996382.db2.gz JBNJWDSSIVUBCU-TZMCWYRMSA-N 1 2 344.419 0.616 20 30 ECEDLO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCCO2)o1 ZINC001078384165 782821195 /nfs/dbraw/zinc/82/11/95/782821195.db2.gz OSIKKIIZYCJXKG-AWEZNQCLSA-N 1 2 344.375 0.599 20 30 ECEDLO CC(C)(C)C#CC(=O)N[C@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001055940850 770301587 /nfs/dbraw/zinc/30/15/87/770301587.db2.gz QSOXOLUHPFZWDS-GOSISDBHSA-N 1 2 346.431 0.402 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001055997614 770498179 /nfs/dbraw/zinc/49/81/79/770498179.db2.gz DGTKYQATWCPWAV-YJBOKZPZSA-N 1 2 348.447 0.955 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001055998328 770501507 /nfs/dbraw/zinc/50/15/07/770501507.db2.gz PVTBLDQPTLYKMB-MSOLQXFVSA-N 1 2 348.447 0.955 20 30 ECEDLO CC(C)(C)C#CC(=O)N1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001055998324 770501557 /nfs/dbraw/zinc/50/15/57/770501557.db2.gz PVBOBIPDJLDILZ-SFHVURJKSA-N 1 2 346.431 0.402 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001055998337 770501891 /nfs/dbraw/zinc/50/18/91/770501891.db2.gz PVTBLDQPTLYKMB-ZWKOTPCHSA-N 1 2 348.447 0.955 20 30 ECEDLO CCN(CCNc1ccnc(C#N)n1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001106878914 770516975 /nfs/dbraw/zinc/51/69/75/770516975.db2.gz COJIVMIRYXKYCW-CYBMUJFWSA-N 1 2 339.403 0.490 20 30 ECEDLO C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001046942766 770521235 /nfs/dbraw/zinc/52/12/35/770521235.db2.gz XNNNZJUINSOMAU-LBPRGKRZSA-N 1 2 336.404 0.681 20 30 ECEDLO C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001046942766 770521243 /nfs/dbraw/zinc/52/12/43/770521243.db2.gz XNNNZJUINSOMAU-LBPRGKRZSA-N 1 2 336.404 0.681 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC[C@](CO)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001056024439 770597406 /nfs/dbraw/zinc/59/74/06/770597406.db2.gz DWAUBLIIUDHGDL-SFHVURJKSA-N 1 2 348.447 0.955 20 30 ECEDLO C#CCCCC(=O)N1CCC[C@](CO)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001056032748 770621615 /nfs/dbraw/zinc/62/16/15/770621615.db2.gz QUMJWIMAIMQDJU-SFHVURJKSA-N 1 2 346.431 0.534 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N2CCN(c3ccnc(C#N)n3)CC2)c[nH+]1 ZINC001056069573 770740887 /nfs/dbraw/zinc/74/08/87/770740887.db2.gz MXEKSZGWICCPTP-UHFFFAOYSA-N 1 2 339.403 0.937 20 30 ECEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H](O)C(C)C ZINC001212218662 770791004 /nfs/dbraw/zinc/79/10/04/770791004.db2.gz CZIWGLMDMMRTFY-RBSFLKMASA-N 1 2 337.445 0.952 20 30 ECEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H](O)C(C)C ZINC001212218662 770791005 /nfs/dbraw/zinc/79/10/05/770791005.db2.gz CZIWGLMDMMRTFY-RBSFLKMASA-N 1 2 337.445 0.952 20 30 ECEDLO CN(CCOCCNc1ccc(C#N)nn1)C(=O)CCn1cc[nH+]c1 ZINC001127429050 771003155 /nfs/dbraw/zinc/00/31/55/771003155.db2.gz HPSVNROKYCOZSK-UHFFFAOYSA-N 1 2 343.391 0.522 20 30 ECEDLO N#Cc1nccnc1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001056326533 771129433 /nfs/dbraw/zinc/12/94/33/771129433.db2.gz DOLDSRMSJSTOFZ-YYWXWVFPSA-N 1 2 349.398 0.358 20 30 ECEDLO N#Cc1cncc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCc3[nH+]ccn3C2)n1 ZINC001056329844 771135343 /nfs/dbraw/zinc/13/53/43/771135343.db2.gz DJSLQUSYHJLKQS-HVOFVXBASA-N 1 2 349.398 0.358 20 30 ECEDLO N#Cc1nccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCc3c[nH+]cn3C2)n1 ZINC001056336606 771143975 /nfs/dbraw/zinc/14/39/75/771143975.db2.gz SFIJCKZBDRXIND-CVGURMSBSA-N 1 2 349.398 0.358 20 30 ECEDLO N#Cc1nccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC001056463320 771298924 /nfs/dbraw/zinc/29/89/24/771298924.db2.gz BJEDJUAKCULDHR-DZUFCKETSA-N 1 2 335.371 0.426 20 30 ECEDLO N#Cc1nccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1 ZINC001056463320 771298927 /nfs/dbraw/zinc/29/89/27/771298927.db2.gz BJEDJUAKCULDHR-DZUFCKETSA-N 1 2 335.371 0.426 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccsc2C)[C@H](OC)C1 ZINC001212239318 771317217 /nfs/dbraw/zinc/31/72/17/771317217.db2.gz CBDUDMLGHAHXMD-KCPJHIHWSA-N 1 2 349.456 0.623 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccsc2C)[C@H](OC)C1 ZINC001212239318 771317219 /nfs/dbraw/zinc/31/72/19/771317219.db2.gz CBDUDMLGHAHXMD-KCPJHIHWSA-N 1 2 349.456 0.623 20 30 ECEDLO COC(=O)[C@H]1C[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031579215 771329445 /nfs/dbraw/zinc/32/94/45/771329445.db2.gz PAFOTVBMMLJWOI-CVEARBPZSA-N 1 2 327.384 0.915 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nncs3)C2)nn1 ZINC001019493945 771359511 /nfs/dbraw/zinc/35/95/11/771359511.db2.gz SQVFCIZEARMATB-NSHDSACASA-N 1 2 333.421 0.710 20 30 ECEDLO Cc1cc(NCCOCCN(C)C(=O)Cc2c[nH+]c[nH]2)c(C#N)cn1 ZINC001127505190 771378185 /nfs/dbraw/zinc/37/81/85/771378185.db2.gz LGBOKBKAXCDELW-UHFFFAOYSA-N 1 2 342.403 0.536 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031621696 771482208 /nfs/dbraw/zinc/48/22/08/771482208.db2.gz MPRIWAIAWWAJAT-GOSISDBHSA-N 1 2 327.428 0.417 20 30 ECEDLO COc1ncc(C[NH+]2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)c(C)n1 ZINC001031622482 771483147 /nfs/dbraw/zinc/48/31/47/771483147.db2.gz OAWBQEYQDFXBDS-UHFFFAOYSA-N 1 2 340.387 0.855 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000994630689 771491432 /nfs/dbraw/zinc/49/14/32/771491432.db2.gz RLSZXPWYUIIVLT-MAZHCROVSA-N 1 2 344.415 0.364 20 30 ECEDLO C=CCCOCC(=O)N1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001056682463 771509988 /nfs/dbraw/zinc/50/99/88/771509988.db2.gz AIEPFIZBXYCJCZ-JKSUJKDBSA-N 1 2 346.431 0.925 20 30 ECEDLO C=CCOCC(=O)N1C[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001056708790 771539144 /nfs/dbraw/zinc/53/91/44/771539144.db2.gz NNHSSJPLAPDGSS-UONOGXRCSA-N 1 2 332.404 0.604 20 30 ECEDLO N#Cc1cnccc1N[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001056727071 771561946 /nfs/dbraw/zinc/56/19/46/771561946.db2.gz GZSKKFBJKZAKLU-UKRRQHHQSA-N 1 2 336.399 0.847 20 30 ECEDLO COc1ccc(C#N)cc1C[NH2+][C@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001019629252 771630021 /nfs/dbraw/zinc/63/00/21/771630021.db2.gz IRUQZCYOCGMLFS-AWEZNQCLSA-N 1 2 340.387 0.618 20 30 ECEDLO CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001056907036 771791603 /nfs/dbraw/zinc/79/16/03/771791603.db2.gz WOUKUEAEPSGJJM-LBPRGKRZSA-N 1 2 325.376 0.741 20 30 ECEDLO CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001057064553 772024766 /nfs/dbraw/zinc/02/47/66/772024766.db2.gz QAGYUGVSYATCJW-BFHYXJOUSA-N 1 2 337.387 0.912 20 30 ECEDLO CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001057064553 772024768 /nfs/dbraw/zinc/02/47/68/772024768.db2.gz QAGYUGVSYATCJW-BFHYXJOUSA-N 1 2 337.387 0.912 20 30 ECEDLO N#Cc1ccc(N2CCCN(C(=O)CCc3[nH]cc[nH+]3)CC2)nn1 ZINC001057134285 772140436 /nfs/dbraw/zinc/14/04/36/772140436.db2.gz RYSGWKHKPGOWCM-UHFFFAOYSA-N 1 2 325.376 0.743 20 30 ECEDLO N#Cc1nccc(N2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)n1 ZINC001057252712 772347644 /nfs/dbraw/zinc/34/76/44/772347644.db2.gz JJGFGMALVKDETH-CHWSQXEVSA-N 1 2 337.387 0.914 20 30 ECEDLO N#Cc1nccc(N2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)n1 ZINC001057252712 772347646 /nfs/dbraw/zinc/34/76/46/772347646.db2.gz JJGFGMALVKDETH-CHWSQXEVSA-N 1 2 337.387 0.914 20 30 ECEDLO C=C1CC(C)(C(=O)NCCN(CCO)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001057711777 772937282 /nfs/dbraw/zinc/93/72/82/772937282.db2.gz UIMPDJCTLPCILC-CQSZACIVSA-N 1 2 348.447 0.882 20 30 ECEDLO C=C1CC(C)(C(=O)NCCN(CCO)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001057711777 772937283 /nfs/dbraw/zinc/93/72/83/772937283.db2.gz UIMPDJCTLPCILC-CQSZACIVSA-N 1 2 348.447 0.882 20 30 ECEDLO C#CCCCCC(=O)NCCN(CCO)C(=O)CCc1c[nH]c[nH+]1 ZINC001057901240 773158613 /nfs/dbraw/zinc/15/86/13/773158613.db2.gz LKJHODOUPGVTFA-UHFFFAOYSA-N 1 2 334.420 0.473 20 30 ECEDLO C#CCCCCC(=O)NCCN(CCO)C(=O)CCc1c[nH+]c[nH]1 ZINC001057901240 773158614 /nfs/dbraw/zinc/15/86/14/773158614.db2.gz LKJHODOUPGVTFA-UHFFFAOYSA-N 1 2 334.420 0.473 20 30 ECEDLO C=CCn1cccc1C(=O)N(CCO)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001057902165 773160765 /nfs/dbraw/zinc/16/07/65/773160765.db2.gz AKAPNMIBFKCJFC-UHFFFAOYSA-N 1 2 345.403 0.191 20 30 ECEDLO CC(C)(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001057968611 773304927 /nfs/dbraw/zinc/30/49/27/773304927.db2.gz GPORWROVCJOPSK-ZIAGYGMSSA-N 1 2 346.431 0.500 20 30 ECEDLO CC(C)(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001057968611 773304933 /nfs/dbraw/zinc/30/49/33/773304933.db2.gz GPORWROVCJOPSK-ZIAGYGMSSA-N 1 2 346.431 0.500 20 30 ECEDLO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)CCCn1cc[nH+]c1 ZINC001057984222 773339128 /nfs/dbraw/zinc/33/91/28/773339128.db2.gz OTTZSTAKYUNCGK-UHFFFAOYSA-N 1 2 336.436 0.813 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NCCN(CCO)C(=O)Cc1[nH]c[nH+]c1C ZINC001058263505 773874601 /nfs/dbraw/zinc/87/46/01/773874601.db2.gz NJZCPMMAPNVFPY-QGZVFWFLSA-N 1 2 336.436 0.800 20 30 ECEDLO N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nn1 ZINC001058265410 773879907 /nfs/dbraw/zinc/87/99/07/773879907.db2.gz ICKOAJBMOKVKMH-BFHYXJOUSA-N 1 2 337.387 0.960 20 30 ECEDLO N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nn1 ZINC001058265410 773879913 /nfs/dbraw/zinc/87/99/13/773879913.db2.gz ICKOAJBMOKVKMH-BFHYXJOUSA-N 1 2 337.387 0.960 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)CCn1cc[nH+]c1 ZINC001058288106 773923334 /nfs/dbraw/zinc/92/33/34/773923334.db2.gz QHWNUOPGFNTOEQ-UHFFFAOYSA-N 1 2 336.436 0.813 20 30 ECEDLO Cc1cc(C)c(C(=O)N(CCO)CCNC(=O)[C@@H](C)C#N)c(C)[nH+]1 ZINC001058344577 774008274 /nfs/dbraw/zinc/00/82/74/774008274.db2.gz HBQKUEQDZHOIOA-LBPRGKRZSA-N 1 2 332.404 0.717 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(c3[nH+]cnc4c3cnn4C)C2)nc1 ZINC001058407780 774123795 /nfs/dbraw/zinc/12/37/95/774123795.db2.gz VKAOGONMGYEAKF-ZDUSSCGKSA-N 1 2 347.382 0.748 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(c2nc(C)cc(C#N)n2)C1 ZINC001058412928 774131921 /nfs/dbraw/zinc/13/19/21/774131921.db2.gz GTVILXXEMOCZDZ-LBPRGKRZSA-N 1 2 325.376 0.626 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001058437703 774178423 /nfs/dbraw/zinc/17/84/23/774178423.db2.gz JBVIQZSKUUMUQT-UONOGXRCSA-N 1 2 336.436 0.738 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001058437703 774178425 /nfs/dbraw/zinc/17/84/25/774178425.db2.gz JBVIQZSKUUMUQT-UONOGXRCSA-N 1 2 336.436 0.738 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001058437701 774178450 /nfs/dbraw/zinc/17/84/50/774178450.db2.gz JBVIQZSKUUMUQT-KBPBESRZSA-N 1 2 336.436 0.738 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001058437701 774178451 /nfs/dbraw/zinc/17/84/51/774178451.db2.gz JBVIQZSKUUMUQT-KBPBESRZSA-N 1 2 336.436 0.738 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N(CCO)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001058463733 774233012 /nfs/dbraw/zinc/23/30/12/774233012.db2.gz GQAKMOOSNVQIIV-ZDUSSCGKSA-N 1 2 336.436 0.800 20 30 ECEDLO C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001058468295 774243572 /nfs/dbraw/zinc/24/35/72/774243572.db2.gz FQUBOQACIZNRSU-CQSZACIVSA-N 1 2 336.436 0.800 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(C1)CC[NH+]([C@@H](C)c1nnnn1C)CC2 ZINC001040643262 783166279 /nfs/dbraw/zinc/16/62/79/783166279.db2.gz HCGZVMHKDUNJIA-OLZOCXBDSA-N 1 2 331.424 0.745 20 30 ECEDLO C#Cc1ccc(C(=O)NCCN(CCO)C(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001058547452 774410306 /nfs/dbraw/zinc/41/03/06/774410306.db2.gz IGVMOHKGVBTCPT-UHFFFAOYSA-N 1 2 340.383 0.184 20 30 ECEDLO C=CCn1cc(C(=O)NC2(C)CC[NH+](Cc3nccn3C)CC2)nn1 ZINC001045580921 775829712 /nfs/dbraw/zinc/82/97/12/775829712.db2.gz XAXBZBZZSSTRFI-UHFFFAOYSA-N 1 2 343.435 0.982 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](CCCN3CCCC3=O)C2)cn1 ZINC001044201260 775910108 /nfs/dbraw/zinc/91/01/08/775910108.db2.gz ASCNJJZWGDZUNS-UHFFFAOYSA-N 1 2 340.427 0.832 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1cnccn1 ZINC001045733552 776106103 /nfs/dbraw/zinc/10/61/03/776106103.db2.gz LNHBMRZCGHFXOR-MCIONIFRSA-N 1 2 342.403 0.640 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1cnccn1 ZINC001045733552 776106110 /nfs/dbraw/zinc/10/61/10/776106110.db2.gz LNHBMRZCGHFXOR-MCIONIFRSA-N 1 2 342.403 0.640 20 30 ECEDLO C=C1CCC(C(=O)N2CC(O)(CNC(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001044323197 776152394 /nfs/dbraw/zinc/15/23/94/776152394.db2.gz GELFHRWBEBRKJU-UHFFFAOYSA-N 1 2 346.431 0.697 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2Cc3ccccc3C2)[C@@H](n2ccnn2)C1 ZINC001070043872 790434540 /nfs/dbraw/zinc/43/45/40/790434540.db2.gz NIFJZYBQLYVANO-MSOLQXFVSA-N 1 2 335.411 0.668 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2Cc3ccccc3C2)[C@@H](n2ccnn2)C1 ZINC001070043872 790434541 /nfs/dbraw/zinc/43/45/41/790434541.db2.gz NIFJZYBQLYVANO-MSOLQXFVSA-N 1 2 335.411 0.668 20 30 ECEDLO C#CCCCCCC(=O)NCC1(O)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001044470373 776331250 /nfs/dbraw/zinc/33/12/50/776331250.db2.gz NTTCBSRVSKJYOD-UHFFFAOYSA-N 1 2 346.431 0.236 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001044714589 776685853 /nfs/dbraw/zinc/68/58/53/776685853.db2.gz JSYGWDPGZMDJJV-UHFFFAOYSA-N 1 2 348.447 0.645 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001044714610 776686161 /nfs/dbraw/zinc/68/61/61/776686161.db2.gz KNSCGFRQCCINNW-KRWDZBQOSA-N 1 2 348.447 0.645 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001079698451 776715851 /nfs/dbraw/zinc/71/58/51/776715851.db2.gz BURZUACQMSDECB-CYBMUJFWSA-N 1 2 332.404 0.440 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001079720168 776761728 /nfs/dbraw/zinc/76/17/28/776761728.db2.gz ZNNXECNJKYYMCU-SYQHCUMBSA-N 1 2 349.435 0.026 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001079720168 776761731 /nfs/dbraw/zinc/76/17/31/776761731.db2.gz ZNNXECNJKYYMCU-SYQHCUMBSA-N 1 2 349.435 0.026 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001079776502 776851683 /nfs/dbraw/zinc/85/16/83/776851683.db2.gz HYDGEBPQXLJUDV-LSDHHAIUSA-N 1 2 346.431 0.932 20 30 ECEDLO CCN(C(=O)CCc1c[nH]c[nH+]1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001079963135 777159284 /nfs/dbraw/zinc/15/92/84/777159284.db2.gz QBKBSSZXAROLKX-UHFFFAOYSA-N 1 2 340.387 0.915 20 30 ECEDLO CCN(C(=O)CCc1c[nH+]c[nH]1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001079963135 777159289 /nfs/dbraw/zinc/15/92/89/777159289.db2.gz QBKBSSZXAROLKX-UHFFFAOYSA-N 1 2 340.387 0.915 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cccc(OC)c2)[C@@H](n2ccnn2)C1 ZINC001070082687 790542344 /nfs/dbraw/zinc/54/23/44/790542344.db2.gz UNVVKBOWLMWPCL-SJORKVTESA-N 1 2 339.399 0.965 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(OC)c2)[C@@H](n2ccnn2)C1 ZINC001070082687 790542350 /nfs/dbraw/zinc/54/23/50/790542350.db2.gz UNVVKBOWLMWPCL-SJORKVTESA-N 1 2 339.399 0.965 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001080199859 777544486 /nfs/dbraw/zinc/54/44/86/777544486.db2.gz RQYAGKLDARMFKB-ZDUSSCGKSA-N 1 2 334.420 0.911 20 30 ECEDLO CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001080420152 777827490 /nfs/dbraw/zinc/82/74/90/777827490.db2.gz OFVPCLXSOQZMAR-XJKSGUPXSA-N 1 2 343.431 0.903 20 30 ECEDLO C=CCCC(=O)N1CC(O)(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001043168932 777869140 /nfs/dbraw/zinc/86/91/40/777869140.db2.gz KHXSLEVKJYYUHT-UHFFFAOYSA-N 1 2 342.399 0.912 20 30 ECEDLO C#CCCCC(=O)NC[C@H]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)O1 ZINC001068563032 790574309 /nfs/dbraw/zinc/57/43/09/790574309.db2.gz LQQYLQVNKLKMRW-OAHLLOKOSA-N 1 2 344.415 0.632 20 30 ECEDLO C#CCCCC(=O)NC1(CNC(=O)CCc2c[nH]c[nH+]2)CCOCC1 ZINC001070093079 790576282 /nfs/dbraw/zinc/57/62/82/790576282.db2.gz GDNIKQVBJYCWHA-UHFFFAOYSA-N 1 2 346.431 0.927 20 30 ECEDLO C#CCCCC(=O)NC1(CNC(=O)CCc2c[nH+]c[nH]2)CCOCC1 ZINC001070093079 790576293 /nfs/dbraw/zinc/57/62/93/790576293.db2.gz GDNIKQVBJYCWHA-UHFFFAOYSA-N 1 2 346.431 0.927 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cn2ccnc2C)[C@@H](n2ccnn2)C1 ZINC001070096248 790592615 /nfs/dbraw/zinc/59/26/15/790592615.db2.gz PXMIMYDYLXSKLY-CABCVRRESA-N 1 2 329.408 0.401 20 30 ECEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cn2ccnc2C)[C@@H](n2ccnn2)C1 ZINC001070096248 790592625 /nfs/dbraw/zinc/59/26/25/790592625.db2.gz PXMIMYDYLXSKLY-CABCVRRESA-N 1 2 329.408 0.401 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@](C)(C=C)CC)C1 ZINC001043648489 778663807 /nfs/dbraw/zinc/66/38/07/778663807.db2.gz GASYRFGFVSTOQY-YJBOKZPZSA-N 1 2 347.459 0.376 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@](C)(C=C)CC)C1 ZINC001043648489 778663812 /nfs/dbraw/zinc/66/38/12/778663812.db2.gz GASYRFGFVSTOQY-YJBOKZPZSA-N 1 2 347.459 0.376 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)/C=C/C(C)(C)C)C1 ZINC001043649107 778664826 /nfs/dbraw/zinc/66/48/26/778664826.db2.gz LNMDBQVWXKCCIL-HVHJFMEUSA-N 1 2 347.459 0.376 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)/C=C/C(C)(C)C)C1 ZINC001043649107 778664833 /nfs/dbraw/zinc/66/48/33/778664833.db2.gz LNMDBQVWXKCCIL-HVHJFMEUSA-N 1 2 347.459 0.376 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001043650964 778668773 /nfs/dbraw/zinc/66/87/73/778668773.db2.gz XAMWZGBNWJPCLT-OAGGEKHMSA-N 1 2 347.459 0.210 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001043650964 778668779 /nfs/dbraw/zinc/66/87/79/778668779.db2.gz XAMWZGBNWJPCLT-OAGGEKHMSA-N 1 2 347.459 0.210 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001070112539 790645772 /nfs/dbraw/zinc/64/57/72/790645772.db2.gz FIBHKIPKZDNJRJ-IMJJTQAJSA-N 1 2 341.419 0.180 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)c2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001070112539 790645777 /nfs/dbraw/zinc/64/57/77/790645777.db2.gz FIBHKIPKZDNJRJ-IMJJTQAJSA-N 1 2 341.419 0.180 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001043701029 778743867 /nfs/dbraw/zinc/74/38/67/778743867.db2.gz XAVZBMYNYZWMTM-LSDHHAIUSA-N 1 2 348.447 0.811 20 30 ECEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)O1 ZINC001068620449 790729292 /nfs/dbraw/zinc/72/92/92/790729292.db2.gz MTDMFFYSTQAYKY-OLZOCXBDSA-N 1 2 345.403 0.378 20 30 ECEDLO Cc1csc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2n2ccnn2)n1 ZINC001070159980 790788705 /nfs/dbraw/zinc/78/87/05/790788705.db2.gz YOUVFOXAWWARLS-RTXFEEFZSA-N 1 2 345.432 0.744 20 30 ECEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cn[nH]n2)C1 ZINC001079137974 780801373 /nfs/dbraw/zinc/80/13/73/780801373.db2.gz FZFDFHJBIDSSJG-HZPDHXFCSA-N 1 2 325.372 0.125 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cn[nH]n2)C1 ZINC001079137974 780801385 /nfs/dbraw/zinc/80/13/85/780801385.db2.gz FZFDFHJBIDSSJG-HZPDHXFCSA-N 1 2 325.372 0.125 20 30 ECEDLO C#CC[NH2+][C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1c1cccc(F)c1 ZINC001079205999 780877530 /nfs/dbraw/zinc/87/75/30/780877530.db2.gz QEHXYBFLKCLLBU-LSDHHAIUSA-N 1 2 327.363 0.704 20 30 ECEDLO C#CCCCCC(=O)N1CC(O)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001042823624 780892892 /nfs/dbraw/zinc/89/28/92/780892892.db2.gz JYNRKDXLZQELJN-UHFFFAOYSA-N 1 2 332.404 0.225 20 30 ECEDLO C=CCCO[C@H](C)C(=O)N(CC)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001079447290 781129202 /nfs/dbraw/zinc/12/92/02/781129202.db2.gz HJEFIDLKYYPUSE-CQSZACIVSA-N 1 2 334.420 0.924 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)Cc2ccn[nH]2)C1 ZINC001079540606 781242478 /nfs/dbraw/zinc/24/24/78/781242478.db2.gz UPLQGAHHYCCIFQ-INIZCTEOSA-N 1 2 343.431 0.109 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)Cc2ccn[nH]2)C1 ZINC001079540606 781242482 /nfs/dbraw/zinc/24/24/82/781242482.db2.gz UPLQGAHHYCCIFQ-INIZCTEOSA-N 1 2 343.431 0.109 20 30 ECEDLO CN(c1cnc(C#N)cn1)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001068688609 790908316 /nfs/dbraw/zinc/90/83/16/790908316.db2.gz BMHJONKMZMUSPO-UHFFFAOYSA-N 1 2 325.376 0.741 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3c2OCCCO3)C1 ZINC001077893035 781891314 /nfs/dbraw/zinc/89/13/14/781891314.db2.gz WPCHIAGYZJKPEI-HUUCEWRRSA-N 1 2 330.384 0.646 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc3c2OCCCO3)C1 ZINC001077893035 781891321 /nfs/dbraw/zinc/89/13/21/781891321.db2.gz WPCHIAGYZJKPEI-HUUCEWRRSA-N 1 2 330.384 0.646 20 30 ECEDLO N#Cc1cnc(N2C[C@@H]3CCN(C(=O)CCn4cc[nH+]c4)[C@@H]3C2)cn1 ZINC001040777466 783419215 /nfs/dbraw/zinc/41/92/15/783419215.db2.gz PBBYQUBPDDUKFW-DZGCQCFKSA-N 1 2 337.387 0.672 20 30 ECEDLO Cc1ccc(C#N)c(N[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@H]2C)n1 ZINC001040070140 783481543 /nfs/dbraw/zinc/48/15/43/783481543.db2.gz GBPZHFRUAFMFEI-CWRNSKLLSA-N 1 2 343.431 0.994 20 30 ECEDLO Cc1ccc(C#N)c(N[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@H]2C)n1 ZINC001040070140 783481548 /nfs/dbraw/zinc/48/15/48/783481548.db2.gz GBPZHFRUAFMFEI-CWRNSKLLSA-N 1 2 343.431 0.994 20 30 ECEDLO C[C@H]1[C@@H](Nc2cnc(C#N)cn2)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001040070968 783484312 /nfs/dbraw/zinc/48/43/12/783484312.db2.gz QRPGSQMJAPTRLW-UBHSHLNASA-N 1 2 330.392 0.080 20 30 ECEDLO C[C@H]1[C@@H](Nc2cnc(C#N)cn2)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001040070968 783484316 /nfs/dbraw/zinc/48/43/16/783484316.db2.gz QRPGSQMJAPTRLW-UBHSHLNASA-N 1 2 330.392 0.080 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NC[C@]1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001040814293 783492669 /nfs/dbraw/zinc/49/26/69/783492669.db2.gz WVXMWAKIIIHZHP-IAGOWNOFSA-N 1 2 334.420 0.634 20 30 ECEDLO C[C@@H](C#N)C(=O)NC1(CNC(=O)CCc2[nH+]ccn2C)CCOCC1 ZINC001070232472 783707115 /nfs/dbraw/zinc/70/71/15/783707115.db2.gz KDQHYHYXLMDVSB-ZDUSSCGKSA-N 1 2 347.419 0.294 20 30 ECEDLO C=CC[NH2+][C@@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@@H]1CC ZINC001037940944 783718726 /nfs/dbraw/zinc/71/87/26/783718726.db2.gz NRFYMRYOWRMECE-GXTWGEPZSA-N 1 2 344.419 0.474 20 30 ECEDLO C#CCN1Cc2cnn(C3CCN(C(=O)Cc4[nH]cc[nH+]4)CC3)c2C1 ZINC001070350075 783858944 /nfs/dbraw/zinc/85/89/44/783858944.db2.gz MIBGCCSJFVPTMI-UHFFFAOYSA-N 1 2 338.415 0.961 20 30 ECEDLO C#CC[N@H+]1C[C@@H](c2nc(CNC(=O)[C@H]3CCCO3)n[nH]2)[C@H](C2CC2)C1 ZINC001070351069 783859686 /nfs/dbraw/zinc/85/96/86/783859686.db2.gz FVPCKYBNOOILKQ-RRFJBIMHSA-N 1 2 343.431 0.659 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](c2nc(CNC(=O)[C@H]3CCCO3)n[nH]2)[C@H](C2CC2)C1 ZINC001070351069 783859693 /nfs/dbraw/zinc/85/96/93/783859693.db2.gz FVPCKYBNOOILKQ-RRFJBIMHSA-N 1 2 343.431 0.659 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001038131684 783896389 /nfs/dbraw/zinc/89/63/89/783896389.db2.gz ADJZYCTXTPYFMK-UKRRQHHQSA-N 1 2 327.388 0.477 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001038131684 783896393 /nfs/dbraw/zinc/89/63/93/783896393.db2.gz ADJZYCTXTPYFMK-UKRRQHHQSA-N 1 2 327.388 0.477 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001070904231 784084997 /nfs/dbraw/zinc/08/49/97/784084997.db2.gz QEIUZAJXLYRSGQ-UONOGXRCSA-N 1 2 334.420 0.959 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1c[nH]c(C#N)c1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070444755 784094050 /nfs/dbraw/zinc/09/40/50/784094050.db2.gz VYJQEWGSPXLSMU-OAHLLOKOSA-N 1 2 349.398 0.488 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cnco2)C1 ZINC001070916651 784110015 /nfs/dbraw/zinc/11/00/15/784110015.db2.gz SEOBKTNXFNMSBF-BZPMIXESSA-N 1 2 332.360 0.580 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cnco2)C1 ZINC001070916651 784110018 /nfs/dbraw/zinc/11/00/18/784110018.db2.gz SEOBKTNXFNMSBF-BZPMIXESSA-N 1 2 332.360 0.580 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cnn(C)c2C)CC1 ZINC001070937108 784160515 /nfs/dbraw/zinc/16/05/15/784160515.db2.gz LMVAKWQBFRPZTH-UHFFFAOYSA-N 1 2 331.420 0.016 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cnn(C)c2C)CC1 ZINC001070937108 784160519 /nfs/dbraw/zinc/16/05/19/784160519.db2.gz LMVAKWQBFRPZTH-UHFFFAOYSA-N 1 2 331.420 0.016 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccncc2F)CC1 ZINC001070950505 784203937 /nfs/dbraw/zinc/20/39/37/784203937.db2.gz YDVCKZNPTWWYAT-UHFFFAOYSA-N 1 2 332.379 0.508 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccncc2F)CC1 ZINC001070950505 784203947 /nfs/dbraw/zinc/20/39/47/784203947.db2.gz YDVCKZNPTWWYAT-UHFFFAOYSA-N 1 2 332.379 0.508 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2nn(C)cc2C)CC1 ZINC001070963415 784243872 /nfs/dbraw/zinc/24/38/72/784243872.db2.gz QGBJCEOSTUEVRT-UHFFFAOYSA-N 1 2 331.420 0.016 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2nn(C)cc2C)CC1 ZINC001070963415 784243880 /nfs/dbraw/zinc/24/38/80/784243880.db2.gz QGBJCEOSTUEVRT-UHFFFAOYSA-N 1 2 331.420 0.016 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001070553175 784264408 /nfs/dbraw/zinc/26/44/08/784264408.db2.gz DEKCASWNBQRVOT-LSDHHAIUSA-N 1 2 346.431 0.755 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C2(F)CCOCC2)CC1 ZINC001070969633 784266557 /nfs/dbraw/zinc/26/65/57/784266557.db2.gz ZPCWGLNJQVZEPR-UHFFFAOYSA-N 1 2 339.411 0.179 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C2(F)CCOCC2)CC1 ZINC001070969633 784266565 /nfs/dbraw/zinc/26/65/65/784266565.db2.gz ZPCWGLNJQVZEPR-UHFFFAOYSA-N 1 2 339.411 0.179 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC(=O)NCC[N@@H+](CCn2cccn2)CC1 ZINC001070985427 784324703 /nfs/dbraw/zinc/32/47/03/784324703.db2.gz NWCPZMHMULYVLI-UHFFFAOYSA-N 1 2 347.463 0.746 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC(=O)NCC[N@H+](CCn2cccn2)CC1 ZINC001070985427 784324710 /nfs/dbraw/zinc/32/47/10/784324710.db2.gz NWCPZMHMULYVLI-UHFFFAOYSA-N 1 2 347.463 0.746 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccn(C(C)C)n2)CC1 ZINC001071004523 784381259 /nfs/dbraw/zinc/38/12/59/784381259.db2.gz JLIIUDXKCSIZNS-UHFFFAOYSA-N 1 2 345.447 0.751 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccn(C(C)C)n2)CC1 ZINC001071004523 784381269 /nfs/dbraw/zinc/38/12/69/784381269.db2.gz JLIIUDXKCSIZNS-UHFFFAOYSA-N 1 2 345.447 0.751 20 30 ECEDLO C=C(Cl)CN1CCNC(=O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001071024123 784451368 /nfs/dbraw/zinc/45/13/68/784451368.db2.gz FODWANCKKZSJTF-UHFFFAOYSA-N 1 2 339.827 0.286 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@H]1NCC#N ZINC001070661030 784516309 /nfs/dbraw/zinc/51/63/09/784516309.db2.gz VDUAZQSWVXPVKS-VXGBXAGGSA-N 1 2 347.810 0.528 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CCC[C@@H](NC(=O)CSCC#N)C1 ZINC001071084533 784527600 /nfs/dbraw/zinc/52/76/00/784527600.db2.gz XTVLYSJUPLVKNM-CYBMUJFWSA-N 1 2 349.460 0.717 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001070672933 784530793 /nfs/dbraw/zinc/53/07/93/784530793.db2.gz SLOYUGRTTTUUFB-RHSMWYFYSA-N 1 2 334.420 0.708 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001071088903 784531596 /nfs/dbraw/zinc/53/15/96/784531596.db2.gz UXZJPWSBLYPWIQ-RDTXWAMCSA-N 1 2 348.447 0.787 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CCC[C@@H](NC(=O)CSCC#N)C1 ZINC001071088995 784532732 /nfs/dbraw/zinc/53/27/32/784532732.db2.gz YYADTIYYFUQRFW-CYBMUJFWSA-N 1 2 349.460 0.717 20 30 ECEDLO C#CCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001070728724 784609293 /nfs/dbraw/zinc/60/92/93/784609293.db2.gz DQAYXHDPYBAIRR-YNEHKIRRSA-N 1 2 334.399 0.233 20 30 ECEDLO C#CCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001070728724 784609297 /nfs/dbraw/zinc/60/92/97/784609297.db2.gz DQAYXHDPYBAIRR-YNEHKIRRSA-N 1 2 334.399 0.233 20 30 ECEDLO C=CCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001070728916 784610677 /nfs/dbraw/zinc/61/06/77/784610677.db2.gz OQNZYDRGPXAKSV-YNEHKIRRSA-N 1 2 336.415 0.786 20 30 ECEDLO C=CCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001070728916 784610680 /nfs/dbraw/zinc/61/06/80/784610680.db2.gz OQNZYDRGPXAKSV-YNEHKIRRSA-N 1 2 336.415 0.786 20 30 ECEDLO CC#CCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001070729063 784611188 /nfs/dbraw/zinc/61/11/88/784611188.db2.gz XCBZLANGXGOMSY-BFHYXJOUSA-N 1 2 348.426 0.623 20 30 ECEDLO CC#CCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001070729063 784611194 /nfs/dbraw/zinc/61/11/94/784611194.db2.gz XCBZLANGXGOMSY-BFHYXJOUSA-N 1 2 348.426 0.623 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001070730551 784616805 /nfs/dbraw/zinc/61/68/05/784616805.db2.gz KXFZJZCNXAKVPY-HUUCEWRRSA-N 1 2 346.431 0.498 20 30 ECEDLO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1c[nH]cc3ncnc1-3)C[C@@H](C)O2 ZINC001071170961 784651475 /nfs/dbraw/zinc/65/14/75/784651475.db2.gz FMKVBFJLLNGYHS-FZKQIMNGSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c[nH]cc3ncnc1-3)C[C@@H](C)O2 ZINC001071170961 784651478 /nfs/dbraw/zinc/65/14/78/784651478.db2.gz FMKVBFJLLNGYHS-FZKQIMNGSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3cccnc3)C2)C(=O)C1 ZINC001071251946 784839329 /nfs/dbraw/zinc/83/93/29/784839329.db2.gz MRKOLLHDGRPAQB-KRWDZBQOSA-N 1 2 340.427 0.854 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3cccnc3)C2)C(=O)C1 ZINC001071251946 784839333 /nfs/dbraw/zinc/83/93/33/784839333.db2.gz MRKOLLHDGRPAQB-KRWDZBQOSA-N 1 2 340.427 0.854 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@H]3CCCOC3)C2)C(=O)C1 ZINC001071255113 784849097 /nfs/dbraw/zinc/84/90/97/784849097.db2.gz GCXBDTJGNRBKDM-DLBZAZTESA-N 1 2 347.459 0.572 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@H]3CCCOC3)C2)C(=O)C1 ZINC001071255113 784849104 /nfs/dbraw/zinc/84/91/04/784849104.db2.gz GCXBDTJGNRBKDM-DLBZAZTESA-N 1 2 347.459 0.572 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CCCOC3)C2)C(=O)C1 ZINC001071255116 784849637 /nfs/dbraw/zinc/84/96/37/784849637.db2.gz GCXBDTJGNRBKDM-SJORKVTESA-N 1 2 347.459 0.572 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CCCOC3)C2)C(=O)C1 ZINC001071255116 784849643 /nfs/dbraw/zinc/84/96/43/784849643.db2.gz GCXBDTJGNRBKDM-SJORKVTESA-N 1 2 347.459 0.572 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3ncc[nH]3)C2)C(=O)C1 ZINC001071262797 784877737 /nfs/dbraw/zinc/87/77/37/784877737.db2.gz SYJMZJOPIGVQSI-AWEZNQCLSA-N 1 2 329.404 0.182 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3ncc[nH]3)C2)C(=O)C1 ZINC001071262797 784877741 /nfs/dbraw/zinc/87/77/41/784877741.db2.gz SYJMZJOPIGVQSI-AWEZNQCLSA-N 1 2 329.404 0.182 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)CC3(O)CCC3)C2)C(=O)C1 ZINC001071264480 784885478 /nfs/dbraw/zinc/88/54/78/784885478.db2.gz XVIVKNHRKVCBJG-MRXNPFEDSA-N 1 2 347.459 0.450 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)CC3(O)CCC3)C2)C(=O)C1 ZINC001071264480 784885487 /nfs/dbraw/zinc/88/54/87/784885487.db2.gz XVIVKNHRKVCBJG-MRXNPFEDSA-N 1 2 347.459 0.450 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)CC3(O)CCC3)C2)C(=O)C1 ZINC001071264479 784885506 /nfs/dbraw/zinc/88/55/06/784885506.db2.gz XVIVKNHRKVCBJG-INIZCTEOSA-N 1 2 347.459 0.450 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)CC3(O)CCC3)C2)C(=O)C1 ZINC001071264479 784885515 /nfs/dbraw/zinc/88/55/15/784885515.db2.gz XVIVKNHRKVCBJG-INIZCTEOSA-N 1 2 347.459 0.450 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC[C@@H](N2CC[N@H+](CCCO)CC2=O)C1 ZINC001071268922 784898330 /nfs/dbraw/zinc/89/83/30/784898330.db2.gz FDVDGOBSBIJVJA-OAHLLOKOSA-N 1 2 337.464 0.716 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC[C@@H](N2CC[N@@H+](CCCO)CC2=O)C1 ZINC001071268922 784898336 /nfs/dbraw/zinc/89/83/36/784898336.db2.gz FDVDGOBSBIJVJA-OAHLLOKOSA-N 1 2 337.464 0.716 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3ccnnc3)C2)C(=O)C1 ZINC001071273845 784911075 /nfs/dbraw/zinc/91/10/75/784911075.db2.gz JBEDMYWCJOBTLV-INIZCTEOSA-N 1 2 341.415 0.249 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3ccnnc3)C2)C(=O)C1 ZINC001071273845 784911078 /nfs/dbraw/zinc/91/10/78/784911078.db2.gz JBEDMYWCJOBTLV-INIZCTEOSA-N 1 2 341.415 0.249 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1COC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001068763889 791095821 /nfs/dbraw/zinc/09/58/21/791095821.db2.gz DYJCBWQMBJQMAM-AWEZNQCLSA-N 1 2 348.403 0.031 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1COC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001068763889 791095827 /nfs/dbraw/zinc/09/58/27/791095827.db2.gz DYJCBWQMBJQMAM-AWEZNQCLSA-N 1 2 348.403 0.031 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=O)NC)C1 ZINC001071978032 785463301 /nfs/dbraw/zinc/46/33/01/785463301.db2.gz VFMIWHVBBJBWPX-KGLIPLIRSA-N 1 2 346.431 0.975 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=O)NC)C1 ZINC001071978032 785463308 /nfs/dbraw/zinc/46/33/08/785463308.db2.gz VFMIWHVBBJBWPX-KGLIPLIRSA-N 1 2 346.431 0.975 20 30 ECEDLO C#CCOCCC(=O)N1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001072096482 785661983 /nfs/dbraw/zinc/66/19/83/785661983.db2.gz AAQUXKXXKULKHN-ZIAGYGMSSA-N 1 2 332.404 0.345 20 30 ECEDLO C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001072100198 785668859 /nfs/dbraw/zinc/66/88/59/785668859.db2.gz DKPIMMARXMCIED-ZBFHGGJFSA-N 1 2 346.431 0.356 20 30 ECEDLO C=CCCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001072335082 786040591 /nfs/dbraw/zinc/04/05/91/786040591.db2.gz AOJMYXAVSKYSBC-HIFRSBDPSA-N 1 2 334.420 0.518 20 30 ECEDLO C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1NC(=O)CSCC#N ZINC001072429305 786170167 /nfs/dbraw/zinc/17/01/67/786170167.db2.gz DYNFQZXZAIDMTB-RYUDHWBXSA-N 1 2 349.460 0.907 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001073518642 786454547 /nfs/dbraw/zinc/45/45/47/786454547.db2.gz UAWSRTXDCXHJIK-ZFWWWQNUSA-N 1 2 346.431 0.734 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccnc4[nH]cnc43)C[C@H]21 ZINC001074255399 786525504 /nfs/dbraw/zinc/52/55/04/786525504.db2.gz DLTLJPPCZKSTJB-CABCVRRESA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccnc4[nH]cnc43)C[C@H]21 ZINC001074255399 786525507 /nfs/dbraw/zinc/52/55/07/786525507.db2.gz DLTLJPPCZKSTJB-CABCVRRESA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3cnn(C)c3C)C[C@H]21 ZINC001074258986 786532815 /nfs/dbraw/zinc/53/28/15/786532815.db2.gz GDCNQVAKEDWHAN-SJORKVTESA-N 1 2 330.432 0.596 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3cnn(C)c3C)C[C@H]21 ZINC001074258986 786532824 /nfs/dbraw/zinc/53/28/24/786532824.db2.gz GDCNQVAKEDWHAN-SJORKVTESA-N 1 2 330.432 0.596 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc4n(n3)CCO4)C[C@H]21 ZINC001074266324 786545456 /nfs/dbraw/zinc/54/54/56/786545456.db2.gz IOQAPWJEYBDRSY-CABCVRRESA-N 1 2 330.388 0.214 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc4n(n3)CCO4)C[C@H]21 ZINC001074266324 786545467 /nfs/dbraw/zinc/54/54/67/786545467.db2.gz IOQAPWJEYBDRSY-CABCVRRESA-N 1 2 330.388 0.214 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnc4n3CCC4)C[C@H]21 ZINC001074268062 786550156 /nfs/dbraw/zinc/55/01/56/786550156.db2.gz CCENGLIYLVTRJU-CVEARBPZSA-N 1 2 328.416 0.768 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnc4n3CCC4)C[C@H]21 ZINC001074268062 786550161 /nfs/dbraw/zinc/55/01/61/786550161.db2.gz CCENGLIYLVTRJU-CVEARBPZSA-N 1 2 328.416 0.768 20 30 ECEDLO C#CCN1CCO[C@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]21 ZINC001074276227 786568236 /nfs/dbraw/zinc/56/82/36/786568236.db2.gz JWQFRVQONXMFCY-CVEARBPZSA-N 1 2 330.432 0.862 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C[C@@H]21 ZINC001074281985 786583551 /nfs/dbraw/zinc/58/35/51/786583551.db2.gz KVBIJFSDCFFBBA-JKSUJKDBSA-N 1 2 328.416 0.837 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C[C@@H]21 ZINC001074281985 786583556 /nfs/dbraw/zinc/58/35/56/786583556.db2.gz KVBIJFSDCFFBBA-JKSUJKDBSA-N 1 2 328.416 0.837 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3nc(C)cc3C)C[C@@H]21 ZINC001074292534 786610774 /nfs/dbraw/zinc/61/07/74/786610774.db2.gz XBTMPHPIIFMWFE-IRXDYDNUSA-N 1 2 330.432 0.825 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3nc(C)cc3C)C[C@@H]21 ZINC001074292534 786610782 /nfs/dbraw/zinc/61/07/82/786610782.db2.gz XBTMPHPIIFMWFE-IRXDYDNUSA-N 1 2 330.432 0.825 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(OC)n(C)n3)C[C@@H]21 ZINC001074294109 786614394 /nfs/dbraw/zinc/61/43/94/786614394.db2.gz IQIFOGYNIHZMCP-GJZGRUSLSA-N 1 2 332.404 0.367 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(OC)n(C)n3)C[C@@H]21 ZINC001074294109 786614399 /nfs/dbraw/zinc/61/43/99/786614399.db2.gz IQIFOGYNIHZMCP-GJZGRUSLSA-N 1 2 332.404 0.367 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3c(C)nn(C)c3C)C[C@H]21 ZINC001074307606 786642100 /nfs/dbraw/zinc/64/21/00/786642100.db2.gz LSCROLCRAWHQHX-CVEARBPZSA-N 1 2 330.432 0.976 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3c(C)nn(C)c3C)C[C@H]21 ZINC001074307606 786642104 /nfs/dbraw/zinc/64/21/04/786642104.db2.gz LSCROLCRAWHQHX-CVEARBPZSA-N 1 2 330.432 0.976 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2CC1 ZINC001074308622 786644015 /nfs/dbraw/zinc/64/40/15/786644015.db2.gz GGNUCCZRJPMZEU-GASCZTMLSA-N 1 2 346.431 0.852 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3ccc(C)cc3=O)C[C@H]21 ZINC001074351905 786734684 /nfs/dbraw/zinc/73/46/84/786734684.db2.gz VVEGVSMLVSQXEX-SJORKVTESA-N 1 2 343.427 0.482 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3ccc(C)cc3=O)C[C@H]21 ZINC001074351905 786734691 /nfs/dbraw/zinc/73/46/91/786734691.db2.gz VVEGVSMLVSQXEX-SJORKVTESA-N 1 2 343.427 0.482 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]3OCC[N@@H+](CCCF)[C@@H]3C2)nn1 ZINC001074354883 786740711 /nfs/dbraw/zinc/74/07/11/786740711.db2.gz XRZFPPCOOHPLJJ-CABCVRRESA-N 1 2 337.399 0.739 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]3OCC[N@H+](CCCF)[C@@H]3C2)nn1 ZINC001074354883 786740718 /nfs/dbraw/zinc/74/07/18/786740718.db2.gz XRZFPPCOOHPLJJ-CABCVRRESA-N 1 2 337.399 0.739 20 30 ECEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@H]2CN(CC#N)CCCO2)[nH]n1 ZINC001073605814 786760354 /nfs/dbraw/zinc/76/03/54/786760354.db2.gz VUVJNGJIKHGCGB-XJKSGUPXSA-N 1 2 346.435 0.521 20 30 ECEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@H]2CN(CC#N)CCCO2)[nH]n1 ZINC001073605814 786760362 /nfs/dbraw/zinc/76/03/62/786760362.db2.gz VUVJNGJIKHGCGB-XJKSGUPXSA-N 1 2 346.435 0.521 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnn(C)c3OC)C[C@H]21 ZINC001074393069 786838332 /nfs/dbraw/zinc/83/83/32/786838332.db2.gz VEDUFMDHQMORAN-HUUCEWRRSA-N 1 2 332.404 0.367 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnn(C)c3OC)C[C@H]21 ZINC001074393069 786838340 /nfs/dbraw/zinc/83/83/40/786838340.db2.gz VEDUFMDHQMORAN-HUUCEWRRSA-N 1 2 332.404 0.367 20 30 ECEDLO CC#CCN1CCO[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@H]21 ZINC001074394391 786841779 /nfs/dbraw/zinc/84/17/79/786841779.db2.gz FCBCTIZNQCNHQT-IAGOWNOFSA-N 1 2 330.432 0.678 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001073649458 786872207 /nfs/dbraw/zinc/87/22/07/786872207.db2.gz WAIUJXWYUUQXDV-NSHDSACASA-N 1 2 328.800 0.997 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001073649458 786872216 /nfs/dbraw/zinc/87/22/16/786872216.db2.gz WAIUJXWYUUQXDV-NSHDSACASA-N 1 2 328.800 0.997 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cncc(C(N)=O)c3)C[C@@H]21 ZINC001074405064 786876138 /nfs/dbraw/zinc/87/61/38/786876138.db2.gz LNAVJKORLBOENT-JKSUJKDBSA-N 1 2 342.399 0.119 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cncc(C(N)=O)c3)C[C@@H]21 ZINC001074405064 786876148 /nfs/dbraw/zinc/87/61/48/786876148.db2.gz LNAVJKORLBOENT-JKSUJKDBSA-N 1 2 342.399 0.119 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCc3cnn(C)c3)C[C@@H]21 ZINC001074415462 786912507 /nfs/dbraw/zinc/91/25/07/786912507.db2.gz QPWMDCBBDPHFOV-IRXDYDNUSA-N 1 2 330.432 0.678 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCc3cnn(C)c3)C[C@@H]21 ZINC001074415462 786912516 /nfs/dbraw/zinc/91/25/16/786912516.db2.gz QPWMDCBBDPHFOV-IRXDYDNUSA-N 1 2 330.432 0.678 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001073668089 786921463 /nfs/dbraw/zinc/92/14/63/786921463.db2.gz VZFCDUXJNYWYDD-STQMWFEESA-N 1 2 329.828 0.472 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001073668089 786921466 /nfs/dbraw/zinc/92/14/66/786921466.db2.gz VZFCDUXJNYWYDD-STQMWFEESA-N 1 2 329.828 0.472 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001073756315 787136833 /nfs/dbraw/zinc/13/68/33/787136833.db2.gz ZNIURSUFWGQRON-NSHDSACASA-N 1 2 328.800 0.699 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001073756315 787136839 /nfs/dbraw/zinc/13/68/39/787136839.db2.gz ZNIURSUFWGQRON-NSHDSACASA-N 1 2 328.800 0.699 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001073819518 787262268 /nfs/dbraw/zinc/26/22/68/787262268.db2.gz FOMWDTSPIPPBHP-LSDHHAIUSA-N 1 2 348.447 0.909 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC001073819907 787263526 /nfs/dbraw/zinc/26/35/26/787263526.db2.gz LJHFQLYXWRWBKR-KBPBESRZSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001073819908 787263659 /nfs/dbraw/zinc/26/36/59/787263659.db2.gz LJHFQLYXWRWBKR-KGLIPLIRSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CC(C)(C)C(=O)NCC1(O)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001074657419 787524540 /nfs/dbraw/zinc/52/45/40/787524540.db2.gz LTZXARVVCKVRCB-UHFFFAOYSA-N 1 2 348.447 0.943 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001073920641 787526567 /nfs/dbraw/zinc/52/65/67/787526567.db2.gz CJGGFXUXFSDOOT-KBPBESRZSA-N 1 2 334.420 0.898 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001074037021 787735197 /nfs/dbraw/zinc/73/51/97/787735197.db2.gz UIYIPVRCSBTSHC-STQMWFEESA-N 1 2 335.433 0.493 20 30 ECEDLO CC(C)(C)C#CC(=O)NCC1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001074759438 787775652 /nfs/dbraw/zinc/77/56/52/787775652.db2.gz UHYTZAVGHHHDAI-UHFFFAOYSA-N 1 2 346.431 0.471 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@@H+]1CCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001072639756 788483245 /nfs/dbraw/zinc/48/32/45/788483245.db2.gz GGWOCBZUQWMRRR-NSHDSACASA-N 1 2 340.391 0.319 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@H+]1CCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001072639756 788483251 /nfs/dbraw/zinc/48/32/51/788483251.db2.gz GGWOCBZUQWMRRR-NSHDSACASA-N 1 2 340.391 0.319 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001075081799 788869661 /nfs/dbraw/zinc/86/96/61/788869661.db2.gz NKZQXOFHADHTBR-ZIAGYGMSSA-N 1 2 334.420 0.661 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NC1(C)CCN(C(=O)CSCC#N)CC1 ZINC001072887560 789032170 /nfs/dbraw/zinc/03/21/70/789032170.db2.gz FIXZBZVVTBLCNK-UHFFFAOYSA-N 1 2 349.460 0.717 20 30 ECEDLO C#CCOCCC(=O)NC1(C)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001072987826 789230690 /nfs/dbraw/zinc/23/06/90/789230690.db2.gz BEVABDKRZSQRAE-UHFFFAOYSA-N 1 2 346.431 0.880 20 30 ECEDLO N#CCN[C@@H]1CCO[C@@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001075394624 789321135 /nfs/dbraw/zinc/32/11/35/789321135.db2.gz DXIJGSHGJHNQLY-GDBMZVCRSA-N 1 2 331.420 0.852 20 30 ECEDLO N#CCN[C@H]1CCO[C@@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001075396750 789322543 /nfs/dbraw/zinc/32/25/43/789322543.db2.gz BXRAPFGAURAYIP-LSDHHAIUSA-N 1 2 331.420 0.852 20 30 ECEDLO C=CCn1cc(C(=O)N2CC3(C2)CC[N@@H+](Cc2nonc2C)C3)nn1 ZINC001073042803 789333722 /nfs/dbraw/zinc/33/37/22/789333722.db2.gz HIYDMQCHLCUMJN-UHFFFAOYSA-N 1 2 343.391 0.504 20 30 ECEDLO C=CCn1cc(C(=O)N2CC3(C2)CC[N@H+](Cc2nonc2C)C3)nn1 ZINC001073042803 789333731 /nfs/dbraw/zinc/33/37/31/789333731.db2.gz HIYDMQCHLCUMJN-UHFFFAOYSA-N 1 2 343.391 0.504 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC001073347397 789749496 /nfs/dbraw/zinc/74/94/96/789749496.db2.gz PDAPLKWUGFTMEK-HNNXBMFYSA-N 1 2 348.447 0.909 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC1(CC)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001069452641 789831159 /nfs/dbraw/zinc/83/11/59/789831159.db2.gz UDSTYAHGTQIKEC-OAHLLOKOSA-N 1 2 346.431 0.809 20 30 ECEDLO CO[C@@H](C)C[N@@H+]1CCn2ncc(CNC(=O)c3cc(C#N)c[nH]3)c2C1 ZINC001069856570 790105753 /nfs/dbraw/zinc/10/57/53/790105753.db2.gz BTUYXWKJPYNQCZ-LBPRGKRZSA-N 1 2 342.403 0.863 20 30 ECEDLO CO[C@@H](C)C[N@H+]1CCn2ncc(CNC(=O)c3cc(C#N)c[nH]3)c2C1 ZINC001069856570 790105756 /nfs/dbraw/zinc/10/57/56/790105756.db2.gz BTUYXWKJPYNQCZ-LBPRGKRZSA-N 1 2 342.403 0.863 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[C@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001069928722 790200677 /nfs/dbraw/zinc/20/06/77/790200677.db2.gz HCUOKXLVHHYMKI-OWCLPIDISA-N 1 2 345.447 0.848 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[C@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001069928722 790200681 /nfs/dbraw/zinc/20/06/81/790200681.db2.gz HCUOKXLVHHYMKI-OWCLPIDISA-N 1 2 345.447 0.848 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)[C@@H](n2ccnn2)C1 ZINC001069931478 790203952 /nfs/dbraw/zinc/20/39/52/790203952.db2.gz HASMEGVMOVSSMX-JJTUDDRGSA-N 1 2 325.416 0.855 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)[C@@H](n2ccnn2)C1 ZINC001069931478 790203955 /nfs/dbraw/zinc/20/39/55/790203955.db2.gz HASMEGVMOVSSMX-JJTUDDRGSA-N 1 2 325.416 0.855 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccnn2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069939879 790214715 /nfs/dbraw/zinc/21/47/15/790214715.db2.gz HXBNVCUMJFTVNV-ZBFHGGJFSA-N 1 2 341.419 0.419 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccnn2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069939879 790214719 /nfs/dbraw/zinc/21/47/19/790214719.db2.gz HXBNVCUMJFTVNV-ZBFHGGJFSA-N 1 2 341.419 0.419 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2OCC[C@H]2CC)[C@@H](n2ccnn2)C1 ZINC001069950531 790230230 /nfs/dbraw/zinc/23/02/30/790230230.db2.gz ZHWIGBQTBSLVED-WCVJEAGWSA-N 1 2 331.420 0.458 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2OCC[C@H]2CC)[C@@H](n2ccnn2)C1 ZINC001069950531 790230235 /nfs/dbraw/zinc/23/02/35/790230235.db2.gz ZHWIGBQTBSLVED-WCVJEAGWSA-N 1 2 331.420 0.458 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3cc[nH]c3c2)[C@@H](n2ccnn2)C1 ZINC001069955615 790238024 /nfs/dbraw/zinc/23/80/24/790238024.db2.gz DSPAXENTFRVKCQ-SJORKVTESA-N 1 2 349.398 0.833 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnc3cc[nH]c3c2)[C@@H](n2ccnn2)C1 ZINC001069955615 790238029 /nfs/dbraw/zinc/23/80/29/790238029.db2.gz DSPAXENTFRVKCQ-SJORKVTESA-N 1 2 349.398 0.833 20 30 ECEDLO C#CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)Cn1cc[nH+]c1)CO2 ZINC001068912871 791405202 /nfs/dbraw/zinc/40/52/02/791405202.db2.gz MYEIKISNCVBOER-CQSZACIVSA-N 1 2 330.388 0.173 20 30 ECEDLO Cc1nsc(NC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CCO2)c1C#N ZINC001066680631 791975905 /nfs/dbraw/zinc/97/59/05/791975905.db2.gz MRUJWOUABMWUAF-LBPRGKRZSA-N 1 2 346.416 0.928 20 30 ECEDLO COc1ccnc(N2CC[NH+]([C@@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)n1 ZINC001066698527 792018797 /nfs/dbraw/zinc/01/87/97/792018797.db2.gz LUQBCIVFYMSCPK-UONOGXRCSA-N 1 2 344.419 0.368 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCCN(c2ccc(C#N)nn2)CC1 ZINC001066755759 792109996 /nfs/dbraw/zinc/10/99/96/792109996.db2.gz MZVYTTYWFCMTLA-ZDUSSCGKSA-N 1 2 339.403 0.800 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1)c1ncccc1C#N ZINC001067748913 792221174 /nfs/dbraw/zinc/22/11/74/792221174.db2.gz HWWMWPINPXDXRH-HZPDHXFCSA-N 1 2 343.431 0.711 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1)c1ncccc1C#N ZINC001067748913 792221188 /nfs/dbraw/zinc/22/11/88/792221188.db2.gz HWWMWPINPXDXRH-HZPDHXFCSA-N 1 2 343.431 0.711 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1)c1cncc(C#N)n1 ZINC001067749763 792223470 /nfs/dbraw/zinc/22/34/70/792223470.db2.gz ZDRCMVNMWIAISR-LSDHHAIUSA-N 1 2 344.419 0.106 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1)c1cncc(C#N)n1 ZINC001067749763 792223477 /nfs/dbraw/zinc/22/34/77/792223477.db2.gz ZDRCMVNMWIAISR-LSDHHAIUSA-N 1 2 344.419 0.106 20 30 ECEDLO N#Cc1ccc(N[C@@]2(CO)CCCN(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001066909025 792350913 /nfs/dbraw/zinc/35/09/13/792350913.db2.gz NICYADGOBBBRBS-INIZCTEOSA-N 1 2 341.375 0.010 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC1CC(CNc2cnc(C#N)cn2)C1 ZINC001067860219 792386385 /nfs/dbraw/zinc/38/63/85/792386385.db2.gz SCPXADJDYVAFSM-UHFFFAOYSA-N 1 2 325.376 0.929 20 30 ECEDLO C=CCOCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001067001202 792544585 /nfs/dbraw/zinc/54/45/85/792544585.db2.gz PUCWLVXYFHMFQC-OAHLLOKOSA-N 1 2 348.447 0.955 20 30 ECEDLO Cc1nc(N(C)C)nc(N[C@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C)[nH+]1 ZINC001067089607 792687455 /nfs/dbraw/zinc/68/74/55/792687455.db2.gz LWTJMWGVLXEHEY-FZMZJTMJSA-N 1 2 328.420 0.918 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CN(c2cncc(C#N)n2)CC1(C)C ZINC001068118572 792703241 /nfs/dbraw/zinc/70/32/41/792703241.db2.gz ZOAUGASADDHUFT-AWEZNQCLSA-N 1 2 339.403 0.954 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](Nc2nccnc2C#N)[C@@H](C)C1 ZINC001067126200 792725856 /nfs/dbraw/zinc/72/58/56/792725856.db2.gz BCZSNBQJCXRPJG-HZMBPMFUSA-N 1 2 325.376 0.881 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1Nc1nccnc1C#N ZINC001067227359 792848341 /nfs/dbraw/zinc/84/83/41/792848341.db2.gz KCMTZVBHKCGAFF-GXTWGEPZSA-N 1 2 339.403 0.973 20 30 ECEDLO C[C@@H](Nc1cnc(C#N)cn1)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001068237562 792901946 /nfs/dbraw/zinc/90/19/46/792901946.db2.gz YTOBRRQJTKBVEB-DGCLKSJQSA-N 1 2 341.375 0.342 20 30 ECEDLO C[C@H]1C[C@@H](CNc2nccnc2C#N)CN1C(=O)Cc1c[nH+]cn1C ZINC001068336596 793070512 /nfs/dbraw/zinc/07/05/12/793070512.db2.gz BOQWSARJDUOHOY-STQMWFEESA-N 1 2 339.403 0.973 20 30 ECEDLO C[C@@H]1CN(c2cnc(C#N)cn2)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067406283 793108667 /nfs/dbraw/zinc/10/86/67/793108667.db2.gz VFGXSMKFNRMPRS-DOMZBBRYSA-N 1 2 339.403 0.655 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(c2cncc(C#N)n2)C[C@H]1C ZINC001067408470 793114883 /nfs/dbraw/zinc/11/48/83/793114883.db2.gz UOHRMKYXDJFSER-RISCZKNCSA-N 1 2 339.403 0.954 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)n1 ZINC001067408619 793114956 /nfs/dbraw/zinc/11/49/56/793114956.db2.gz VNSPNQATAKFADE-RISCZKNCSA-N 1 2 339.403 0.954 20 30 ECEDLO C[C@@H]1C[C@@H](CNc2ccnc(C#N)n2)CN1C(=O)CCn1cc[nH+]c1 ZINC001068362863 793128110 /nfs/dbraw/zinc/12/81/10/793128110.db2.gz YYTGOPBBQNABFZ-KGLIPLIRSA-N 1 2 339.403 0.706 20 30 ECEDLO C=CCCC(=O)N1CC2(C1)CN(C(=O)CCc1c[nH+]cn1C)CCO2 ZINC001068424297 793290097 /nfs/dbraw/zinc/29/00/97/793290097.db2.gz CFOAANOSTXFPAZ-UHFFFAOYSA-N 1 2 346.431 0.759 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CCOC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001068438227 793314626 /nfs/dbraw/zinc/31/46/26/793314626.db2.gz QACDGGLIWCLLQZ-HNNXBMFYSA-N 1 2 346.431 0.925 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)CCO2 ZINC001068442040 793320636 /nfs/dbraw/zinc/32/06/36/793320636.db2.gz MTJFGXMBBLPMAS-KGLIPLIRSA-N 1 2 346.431 0.850 20 30 ECEDLO C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCNS(=O)(=O)CC ZINC001267423855 837394290 /nfs/dbraw/zinc/39/42/90/837394290.db2.gz VYQGLMOYRRHSBB-GASCZTMLSA-N 1 2 343.493 0.957 20 30 ECEDLO C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCNS(=O)(=O)CC ZINC001267423855 837394303 /nfs/dbraw/zinc/39/43/03/837394303.db2.gz VYQGLMOYRRHSBB-GASCZTMLSA-N 1 2 343.493 0.957 20 30 ECEDLO CCCN(C(=O)C#CC1CC1)[C@@H]1CC[N@H+](CC(=O)NC(=O)NCC)C1 ZINC001267458648 837444684 /nfs/dbraw/zinc/44/46/84/837444684.db2.gz CRMDMVLULPATDR-OAHLLOKOSA-N 1 2 348.447 0.558 20 30 ECEDLO CCCN(C(=O)C#CC1CC1)[C@@H]1CC[N@@H+](CC(=O)NC(=O)NCC)C1 ZINC001267458648 837444689 /nfs/dbraw/zinc/44/46/89/837444689.db2.gz CRMDMVLULPATDR-OAHLLOKOSA-N 1 2 348.447 0.558 20 30 ECEDLO CC[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#CCOC)CCNC1=O ZINC001267532517 837706260 /nfs/dbraw/zinc/70/62/60/837706260.db2.gz YRNRYDCTFUZKBB-DAYGRLMNSA-N 1 2 333.432 0.228 20 30 ECEDLO CC[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#CCOC)CCNC1=O ZINC001267532517 837706266 /nfs/dbraw/zinc/70/62/66/837706266.db2.gz YRNRYDCTFUZKBB-DAYGRLMNSA-N 1 2 333.432 0.228 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)CC[NH+]1CCN(Cc2cncn2C)CC1 ZINC001267572089 837806746 /nfs/dbraw/zinc/80/67/46/837806746.db2.gz FEZSZICJHFLCIJ-MRXNPFEDSA-N 1 2 347.463 0.034 20 30 ECEDLO CCC(C)(C)C(=O)N(C)CC[NH+]1CCN(CC(=O)NCC#N)CC1 ZINC001267574373 837820890 /nfs/dbraw/zinc/82/08/90/837820890.db2.gz DYRQZVLOPDRGJL-UHFFFAOYSA-N 1 2 337.468 0.138 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CNC(=O)C(C)(C)C)C1 ZINC001266248632 835553973 /nfs/dbraw/zinc/55/39/73/835553973.db2.gz PVPKBWURQLIBDX-CYBMUJFWSA-N 1 2 338.452 0.032 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)C(C)(C)C)C1 ZINC001266248632 835553978 /nfs/dbraw/zinc/55/39/78/835553978.db2.gz PVPKBWURQLIBDX-CYBMUJFWSA-N 1 2 338.452 0.032 20 30 ECEDLO C[N@H+](CCNC(=O)c1ccc[nH]1)CC(=O)NCC#Cc1ccccc1 ZINC001266255482 835561040 /nfs/dbraw/zinc/56/10/40/835561040.db2.gz SWXPUYIYCXWLQC-UHFFFAOYSA-N 1 2 338.411 0.844 20 30 ECEDLO C[N@@H+](CCNC(=O)c1ccc[nH]1)CC(=O)NCC#Cc1ccccc1 ZINC001266255482 835561046 /nfs/dbraw/zinc/56/10/46/835561046.db2.gz SWXPUYIYCXWLQC-UHFFFAOYSA-N 1 2 338.411 0.844 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C ZINC001266271575 835592835 /nfs/dbraw/zinc/59/28/35/835592835.db2.gz JTSMVVMFNPKADJ-WMLDXEAASA-N 1 2 325.453 0.763 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C ZINC001266271575 835592838 /nfs/dbraw/zinc/59/28/38/835592838.db2.gz JTSMVVMFNPKADJ-WMLDXEAASA-N 1 2 325.453 0.763 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[N@@H+](C)CC(=O)Nc1ccc(O)cc1 ZINC001266271653 835593519 /nfs/dbraw/zinc/59/35/19/835593519.db2.gz MSRBRKFDEHIMBD-QGZVFWFLSA-N 1 2 335.404 0.706 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[N@H+](C)CC(=O)Nc1ccc(O)cc1 ZINC001266271653 835593530 /nfs/dbraw/zinc/59/35/30/835593530.db2.gz MSRBRKFDEHIMBD-QGZVFWFLSA-N 1 2 335.404 0.706 20 30 ECEDLO C=CCCC(=O)NCC[NH+]1CCN([C@@H](C)c2nnnn2C2CC2)CC1 ZINC001266281121 835609262 /nfs/dbraw/zinc/60/92/62/835609262.db2.gz GMSOTCUWOIWYOJ-AWEZNQCLSA-N 1 2 347.467 0.769 20 30 ECEDLO N#CCN1CC[NH+](CCNC(=O)c2cc3ccccc3[nH]c2=O)CC1 ZINC001266289874 835633255 /nfs/dbraw/zinc/63/32/55/835633255.db2.gz FYJKUUPJLDPUBG-UHFFFAOYSA-N 1 2 339.399 0.811 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC(F)(F)F)C1 ZINC001266305388 835668683 /nfs/dbraw/zinc/66/86/83/835668683.db2.gz OUXLRUIDSSOTMM-SECBINFHSA-N 1 2 336.314 0.141 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(F)(F)F)C1 ZINC001266305388 835668687 /nfs/dbraw/zinc/66/86/87/835668687.db2.gz OUXLRUIDSSOTMM-SECBINFHSA-N 1 2 336.314 0.141 20 30 ECEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001266319920 835689995 /nfs/dbraw/zinc/68/99/95/835689995.db2.gz VQJGWJCNSXIXCN-OCCSQVGLSA-N 1 2 348.447 0.603 20 30 ECEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001266319920 835690000 /nfs/dbraw/zinc/69/00/00/835690000.db2.gz VQJGWJCNSXIXCN-OCCSQVGLSA-N 1 2 348.447 0.603 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccnc3ccncc32)C1 ZINC001266332921 835715348 /nfs/dbraw/zinc/71/53/48/835715348.db2.gz CKUDPMWEEGJFLW-ZDUSSCGKSA-N 1 2 337.383 0.183 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccnc3ccncc32)C1 ZINC001266332921 835715355 /nfs/dbraw/zinc/71/53/55/835715355.db2.gz CKUDPMWEEGJFLW-ZDUSSCGKSA-N 1 2 337.383 0.183 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c(F)ccc(C)c2F)C1 ZINC001266339416 835724265 /nfs/dbraw/zinc/72/42/65/835724265.db2.gz PUWVIMRIUMBVPO-GFCCVEGCSA-N 1 2 335.354 0.827 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c(F)ccc(C)c2F)C1 ZINC001266339416 835724267 /nfs/dbraw/zinc/72/42/67/835724267.db2.gz PUWVIMRIUMBVPO-GFCCVEGCSA-N 1 2 335.354 0.827 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C(C)(C)C)nn2C)C1 ZINC001266339640 835724285 /nfs/dbraw/zinc/72/42/85/835724285.db2.gz UUIRGDCQJWIRDJ-CYBMUJFWSA-N 1 2 347.463 0.824 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C(C)(C)C)nn2C)C1 ZINC001266339640 835724292 /nfs/dbraw/zinc/72/42/92/835724292.db2.gz UUIRGDCQJWIRDJ-CYBMUJFWSA-N 1 2 347.463 0.824 20 30 ECEDLO C[N@H+](CCNC(=O)c1ccc2cccnc2c1)CC(=O)NCC#N ZINC001266339968 835725646 /nfs/dbraw/zinc/72/56/46/835725646.db2.gz CQBYXKMCZTYRAK-UHFFFAOYSA-N 1 2 325.372 0.536 20 30 ECEDLO C[N@@H+](CCNC(=O)c1ccc2cccnc2c1)CC(=O)NCC#N ZINC001266339968 835725650 /nfs/dbraw/zinc/72/56/50/835725650.db2.gz CQBYXKMCZTYRAK-UHFFFAOYSA-N 1 2 325.372 0.536 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC001266342278 835728207 /nfs/dbraw/zinc/72/82/07/835728207.db2.gz QARXUPDHSMZBNM-DYVFJYSZSA-N 1 2 336.436 0.767 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC001266342278 835728210 /nfs/dbraw/zinc/72/82/10/835728210.db2.gz QARXUPDHSMZBNM-DYVFJYSZSA-N 1 2 336.436 0.767 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cnn(CCC)c2C)C1 ZINC001266349510 835744126 /nfs/dbraw/zinc/74/41/26/835744126.db2.gz IFIXJWJUEOMAMO-CQSZACIVSA-N 1 2 333.436 0.708 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(CCC)c2C)C1 ZINC001266349510 835744133 /nfs/dbraw/zinc/74/41/33/835744133.db2.gz IFIXJWJUEOMAMO-CQSZACIVSA-N 1 2 333.436 0.708 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C(F)F ZINC001266444340 835848563 /nfs/dbraw/zinc/84/85/63/835848563.db2.gz YZFBPRXOSVTYJI-NXEZZACHSA-N 1 2 332.351 0.232 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C(F)F ZINC001266444340 835848568 /nfs/dbraw/zinc/84/85/68/835848568.db2.gz YZFBPRXOSVTYJI-NXEZZACHSA-N 1 2 332.351 0.232 20 30 ECEDLO Cc1ccn(C[C@H](C)C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NCC#N)n1 ZINC001266465478 835866819 /nfs/dbraw/zinc/86/68/19/835866819.db2.gz WQRGAMCOYSASML-ZFWWWQNUSA-N 1 2 346.435 0.048 20 30 ECEDLO Cc1ccn(C[C@H](C)C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NCC#N)n1 ZINC001266465478 835866824 /nfs/dbraw/zinc/86/68/24/835866824.db2.gz WQRGAMCOYSASML-ZFWWWQNUSA-N 1 2 346.435 0.048 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H](C)OC ZINC001266484111 835883721 /nfs/dbraw/zinc/88/37/21/835883721.db2.gz PMIKQLNJVIEEDX-YHUYYLMFSA-N 1 2 335.448 0.615 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H](C)OC ZINC001266484111 835883724 /nfs/dbraw/zinc/88/37/24/835883724.db2.gz PMIKQLNJVIEEDX-YHUYYLMFSA-N 1 2 335.448 0.615 20 30 ECEDLO C=CCOCC(=O)NC[C@@H]1CC[N@@H+]([C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC001266505391 835906457 /nfs/dbraw/zinc/90/64/57/835906457.db2.gz JQKGXLNTOSLKOG-GUYCJALGSA-N 1 2 349.406 0.993 20 30 ECEDLO C=CCOCC(=O)NC[C@@H]1CC[N@H+]([C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC001266505391 835906469 /nfs/dbraw/zinc/90/64/69/835906469.db2.gz JQKGXLNTOSLKOG-GUYCJALGSA-N 1 2 349.406 0.993 20 30 ECEDLO C[C@H](C(=O)NC[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)S(C)(=O)=O ZINC001266521106 835935752 /nfs/dbraw/zinc/93/57/52/835935752.db2.gz ZUPPBRNHGRJCLN-NVXWUHKLSA-N 1 2 348.468 0.909 20 30 ECEDLO C[C@H](C(=O)NC[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)S(C)(=O)=O ZINC001266521106 835935758 /nfs/dbraw/zinc/93/57/58/835935758.db2.gz ZUPPBRNHGRJCLN-NVXWUHKLSA-N 1 2 348.468 0.909 20 30 ECEDLO C[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)S(C)(=O)=O ZINC001266521107 835935782 /nfs/dbraw/zinc/93/57/82/835935782.db2.gz ZUPPBRNHGRJCLN-RDJZCZTQSA-N 1 2 348.468 0.909 20 30 ECEDLO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)S(C)(=O)=O ZINC001266521107 835935785 /nfs/dbraw/zinc/93/57/85/835935785.db2.gz ZUPPBRNHGRJCLN-RDJZCZTQSA-N 1 2 348.468 0.909 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC=C(CNC(=O)CC[C@@H]2CCCO2)CC1 ZINC001279493243 836216585 /nfs/dbraw/zinc/21/65/85/836216585.db2.gz QFQVQADJCWXTSP-HNNXBMFYSA-N 1 2 334.420 0.334 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC=C(CNC(=O)CC[C@@H]2CCCO2)CC1 ZINC001279493243 836216588 /nfs/dbraw/zinc/21/65/88/836216588.db2.gz QFQVQADJCWXTSP-HNNXBMFYSA-N 1 2 334.420 0.334 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@H]1CCC[N@H+](Cc2nnnn2C2CC2)C1 ZINC001266750464 836240755 /nfs/dbraw/zinc/24/07/55/836240755.db2.gz XJCBPTLPATTXJB-DYVFJYSZSA-N 1 2 348.451 0.663 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@H]1CCC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC001266750464 836240767 /nfs/dbraw/zinc/24/07/67/836240767.db2.gz XJCBPTLPATTXJB-DYVFJYSZSA-N 1 2 348.451 0.663 20 30 ECEDLO C[C@H](CC(=O)N(C)CCNC(=O)c1cc(C#N)c[nH]1)n1cc[nH+]c1 ZINC001408545436 836376823 /nfs/dbraw/zinc/37/68/23/836376823.db2.gz YZEFVKQUTWKJKA-GFCCVEGCSA-N 1 2 328.376 0.922 20 30 ECEDLO Cn1nnc(C[N@@H+]2CCC[C@H]2CCCNC(=O)CSCC#N)n1 ZINC001267161167 836874407 /nfs/dbraw/zinc/87/44/07/836874407.db2.gz LVPMRTVCENCKML-GFCCVEGCSA-N 1 2 337.453 0.328 20 30 ECEDLO Cn1nnc(C[N@H+]2CCC[C@H]2CCCNC(=O)CSCC#N)n1 ZINC001267161167 836874418 /nfs/dbraw/zinc/87/44/18/836874418.db2.gz LVPMRTVCENCKML-GFCCVEGCSA-N 1 2 337.453 0.328 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[N@@H+](C)CC(=O)N1CCCC[C@H]1CC ZINC001267193843 836957985 /nfs/dbraw/zinc/95/79/85/836957985.db2.gz DXJYCOGJHWMPEC-HZPDHXFCSA-N 1 2 337.464 0.864 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[N@H+](C)CC(=O)N1CCCC[C@H]1CC ZINC001267193843 836957998 /nfs/dbraw/zinc/95/79/98/836957998.db2.gz DXJYCOGJHWMPEC-HZPDHXFCSA-N 1 2 337.464 0.864 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCO[C@@H]1C ZINC001267225183 837021241 /nfs/dbraw/zinc/02/12/41/837021241.db2.gz QTUYWBYMWKXDEZ-HUUCEWRRSA-N 1 2 325.453 0.884 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCO[C@@H]1C ZINC001267225183 837021250 /nfs/dbraw/zinc/02/12/50/837021250.db2.gz QTUYWBYMWKXDEZ-HUUCEWRRSA-N 1 2 325.453 0.884 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1ccc(C)c2c1CCC2 ZINC001267232142 837035323 /nfs/dbraw/zinc/03/53/23/837035323.db2.gz AKPPLBHHGZNSDN-UHFFFAOYSA-N 1 2 327.428 0.895 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccc(C)c2c1CCC2 ZINC001267232142 837035335 /nfs/dbraw/zinc/03/53/35/837035335.db2.gz AKPPLBHHGZNSDN-UHFFFAOYSA-N 1 2 327.428 0.895 20 30 ECEDLO Cc1ccncc1CC(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001267269563 837109448 /nfs/dbraw/zinc/10/94/48/837109448.db2.gz ONLWCWUCXTZJQT-OAHLLOKOSA-N 1 2 329.404 0.153 20 30 ECEDLO Cc1ccncc1CC(=O)NC[C@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001267269563 837109452 /nfs/dbraw/zinc/10/94/52/837109452.db2.gz ONLWCWUCXTZJQT-OAHLLOKOSA-N 1 2 329.404 0.153 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCCC1 ZINC001267400831 837341551 /nfs/dbraw/zinc/34/15/51/837341551.db2.gz FIHWVSDFHUBYRK-DAYGRLMNSA-N 1 2 335.448 0.611 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CCCC1 ZINC001267400831 837341562 /nfs/dbraw/zinc/34/15/62/837341562.db2.gz FIHWVSDFHUBYRK-DAYGRLMNSA-N 1 2 335.448 0.611 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC(C)(C)C ZINC001267405461 837375978 /nfs/dbraw/zinc/37/59/78/837375978.db2.gz MCWIBEGNBLKPKH-KFWWJZLASA-N 1 2 335.448 0.615 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC(C)(C)C ZINC001267405461 837375991 /nfs/dbraw/zinc/37/59/91/837375991.db2.gz MCWIBEGNBLKPKH-KFWWJZLASA-N 1 2 335.448 0.615 20 30 ECEDLO C[C@H]1CCn2cc(C(=O)N(C)CC[NH+]3CCN(CC#N)CC3)nc2C1 ZINC001267607323 837949495 /nfs/dbraw/zinc/94/94/95/837949495.db2.gz DUUVNPFYXUPXJJ-HNNXBMFYSA-N 1 2 344.463 0.679 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)CCN1CC[NH+](Cc2ocnc2C)CC1 ZINC001267607665 837951056 /nfs/dbraw/zinc/95/10/56/837951056.db2.gz QCLWOYJOTBFPHM-INIZCTEOSA-N 1 2 348.447 0.597 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)CCN1CC[NH+](Cc2ocnc2C)CC1 ZINC001267607666 837951323 /nfs/dbraw/zinc/95/13/23/837951323.db2.gz QCLWOYJOTBFPHM-MRXNPFEDSA-N 1 2 348.447 0.597 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)C2CC2)C1 ZINC001267610632 837974203 /nfs/dbraw/zinc/97/42/03/837974203.db2.gz JCEVUFGVBDIZDJ-TZMCWYRMSA-N 1 2 336.436 0.625 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C2CC2)C1 ZINC001267610632 837974210 /nfs/dbraw/zinc/97/42/10/837974210.db2.gz JCEVUFGVBDIZDJ-TZMCWYRMSA-N 1 2 336.436 0.625 20 30 ECEDLO C=CCC(C)(C)C(=O)N(C)CC[NH+]1CCN(Cc2cnnn2C)CC1 ZINC001267612480 837981255 /nfs/dbraw/zinc/98/12/55/837981255.db2.gz LWUQPDMDKZMXSV-UHFFFAOYSA-N 1 2 348.495 0.993 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)C#CC(C)C)C1 ZINC001267614692 837990147 /nfs/dbraw/zinc/99/01/47/837990147.db2.gz PAWAHYYPERPQIY-HZPDHXFCSA-N 1 2 337.464 0.768 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C#CC(C)C)C1 ZINC001267614692 837990154 /nfs/dbraw/zinc/99/01/54/837990154.db2.gz PAWAHYYPERPQIY-HZPDHXFCSA-N 1 2 337.464 0.768 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)nn2CC)C1 ZINC001267618282 838050475 /nfs/dbraw/zinc/05/04/75/838050475.db2.gz ZWUAAHIBQRKHNU-LSDHHAIUSA-N 1 2 345.447 0.544 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cc(C)nn2CC)C1 ZINC001267618282 838050481 /nfs/dbraw/zinc/05/04/81/838050481.db2.gz ZWUAAHIBQRKHNU-LSDHHAIUSA-N 1 2 345.447 0.544 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001267626029 838071667 /nfs/dbraw/zinc/07/16/67/838071667.db2.gz LAXNJLKMHTWTRG-HRCADAONSA-N 1 2 341.415 0.405 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001267626029 838071677 /nfs/dbraw/zinc/07/16/77/838071677.db2.gz LAXNJLKMHTWTRG-HRCADAONSA-N 1 2 341.415 0.405 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2cc[nH]c2CCC)C1 ZINC001267629283 838086277 /nfs/dbraw/zinc/08/62/77/838086277.db2.gz QNGCBZMPOJAIDW-AWEZNQCLSA-N 1 2 330.432 0.911 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2cc[nH]c2CCC)C1 ZINC001267629283 838086287 /nfs/dbraw/zinc/08/62/87/838086287.db2.gz QNGCBZMPOJAIDW-AWEZNQCLSA-N 1 2 330.432 0.911 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)C2(C)CCOCC2)C1 ZINC001267632927 838093819 /nfs/dbraw/zinc/09/38/19/838093819.db2.gz WGRAVMCQSYAJDJ-GJZGRUSLSA-N 1 2 335.448 0.522 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)C2(C)CCOCC2)C1 ZINC001267632927 838093833 /nfs/dbraw/zinc/09/38/33/838093833.db2.gz WGRAVMCQSYAJDJ-GJZGRUSLSA-N 1 2 335.448 0.522 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2cccc3c[nH]nc32)C1 ZINC001267686904 838250453 /nfs/dbraw/zinc/25/04/53/838250453.db2.gz UQORVVXPNKSBPQ-LBPRGKRZSA-N 1 2 339.399 0.362 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)c2cc(C(F)(F)F)no2)C1 ZINC001267686290 838253188 /nfs/dbraw/zinc/25/31/88/838253188.db2.gz OVWHNVFWBNBDNJ-UHFFFAOYSA-N 1 2 344.293 0.104 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2ncoc2[C@H]2CCCO2)C1 ZINC001267687420 838255092 /nfs/dbraw/zinc/25/50/92/838255092.db2.gz DLCCFLBFFBQTTC-CYBMUJFWSA-N 1 2 348.403 0.490 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C[C@@H](C)n2cccn2)C1 ZINC001267695933 838284295 /nfs/dbraw/zinc/28/42/95/838284295.db2.gz MNRUZNQOAMJZRW-ZIAGYGMSSA-N 1 2 331.420 0.020 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)c2cc3cccc(F)c3o2)C1 ZINC001267699299 838294063 /nfs/dbraw/zinc/29/40/63/838294063.db2.gz QJDMFXQLTLRYLV-UHFFFAOYSA-N 1 2 343.358 0.983 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)COC(C)C)C1 ZINC001267719540 838372152 /nfs/dbraw/zinc/37/21/52/838372152.db2.gz FGOSBYVUJOSIKV-OLZOCXBDSA-N 1 2 340.424 0.002 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)COC(C)C)C1 ZINC001267719540 838372162 /nfs/dbraw/zinc/37/21/62/838372162.db2.gz FGOSBYVUJOSIKV-OLZOCXBDSA-N 1 2 340.424 0.002 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@H](C)c2c(C)noc2C)C1 ZINC001267725565 838394183 /nfs/dbraw/zinc/39/41/83/838394183.db2.gz RQKYHKMWOFITLX-WFASDCNBSA-N 1 2 346.431 0.725 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@H](C)c2c(C)noc2C)C1 ZINC001267725565 838394193 /nfs/dbraw/zinc/39/41/93/838394193.db2.gz RQKYHKMWOFITLX-WFASDCNBSA-N 1 2 346.431 0.725 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC001267725617 838395577 /nfs/dbraw/zinc/39/55/77/838395577.db2.gz UJFPVQIJPDLFOJ-DOMZBBRYSA-N 1 2 345.447 0.460 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)C1 ZINC001267725617 838395586 /nfs/dbraw/zinc/39/55/86/838395586.db2.gz UJFPVQIJPDLFOJ-DOMZBBRYSA-N 1 2 345.447 0.460 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(CC)c2C2CC2)C1 ZINC001267732862 838421698 /nfs/dbraw/zinc/42/16/98/838421698.db2.gz RLGZBJWVMZMRPB-AWEZNQCLSA-N 1 2 343.431 0.334 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(CC)c2C2CC2)C1 ZINC001267732862 838421701 /nfs/dbraw/zinc/42/17/01/838421701.db2.gz RLGZBJWVMZMRPB-AWEZNQCLSA-N 1 2 343.431 0.334 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3ccccc3O2)C1 ZINC001267731873 838422581 /nfs/dbraw/zinc/42/25/81/838422581.db2.gz XGOYEEULKXEWSR-RDJZCZTQSA-N 1 2 343.427 0.873 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3ccccc3O2)C1 ZINC001267731873 838422585 /nfs/dbraw/zinc/42/25/85/838422585.db2.gz XGOYEEULKXEWSR-RDJZCZTQSA-N 1 2 343.427 0.873 20 30 ECEDLO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3ccccc3)n2)C1 ZINC001267733919 838424796 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N#Cc1ccc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)[nH]1 ZINC000132880151 205346342 /nfs/dbraw/zinc/34/63/42/205346342.db2.gz QLXYHCAEITVWDM-UHFFFAOYSA-N 1 2 329.404 0.657 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)[nH]1 ZINC000132880151 205346346 /nfs/dbraw/zinc/34/63/46/205346346.db2.gz QLXYHCAEITVWDM-UHFFFAOYSA-N 1 2 329.404 0.657 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC000249150485 206349059 /nfs/dbraw/zinc/34/90/59/206349059.db2.gz HDDQXYUUNKQDGJ-KBPBESRZSA-N 1 2 337.445 0.775 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC000249150485 206349060 /nfs/dbraw/zinc/34/90/60/206349060.db2.gz HDDQXYUUNKQDGJ-KBPBESRZSA-N 1 2 337.445 0.775 20 30 ECEDLO CCOC1CC(CNC(=O)c2ccc(C#N)n2C)([NH+]2CCOCC2)C1 ZINC000451217708 211367904 /nfs/dbraw/zinc/36/79/04/211367904.db2.gz PVQNHKBXSYHXBI-UHFFFAOYSA-N 1 2 346.431 0.896 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)COc1ccc(C#N)cc1 ZINC000267622179 251200623 /nfs/dbraw/zinc/20/06/23/251200623.db2.gz DRVWPRYGOOPCCS-OAHLLOKOSA-N 1 2 333.388 0.089 20 30 ECEDLO CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000175977557 207179588 /nfs/dbraw/zinc/17/95/88/207179588.db2.gz XQUGGNXBWOFIGQ-UHFFFAOYSA-N 1 2 348.378 0.863 20 30 ECEDLO CC1(C)COCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000175977557 207179592 /nfs/dbraw/zinc/17/95/92/207179592.db2.gz XQUGGNXBWOFIGQ-UHFFFAOYSA-N 1 2 348.378 0.863 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000374454078 285051839 /nfs/dbraw/zinc/05/18/39/285051839.db2.gz UJHOEIZCFJYTKU-KFWWJZLASA-N 1 2 344.481 0.556 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000374454078 285051843 /nfs/dbraw/zinc/05/18/43/285051843.db2.gz UJHOEIZCFJYTKU-KFWWJZLASA-N 1 2 344.481 0.556 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000430697543 210396838 /nfs/dbraw/zinc/39/68/38/210396838.db2.gz LOBWJOYIJXTWAJ-UHFFFAOYSA-N 1 2 329.404 0.378 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000022814553 254484167 /nfs/dbraw/zinc/48/41/67/254484167.db2.gz NTAABBQCBUGJRH-UHFFFAOYSA-N 1 2 340.431 0.632 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000352544249 254711610 /nfs/dbraw/zinc/71/16/10/254711610.db2.gz PGUVKNNEOBBWGY-ZFWWWQNUSA-N 1 2 344.481 0.397 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000352544249 254711612 /nfs/dbraw/zinc/71/16/12/254711612.db2.gz PGUVKNNEOBBWGY-ZFWWWQNUSA-N 1 2 344.481 0.397 20 30 ECEDLO N#Cc1c2c(cn(C[N@H+]3CC[C@H](CN4CCOC4=O)C3)c1=O)CCC2 ZINC000495985854 255060984 /nfs/dbraw/zinc/06/09/84/255060984.db2.gz XOXMEFFLCVPSMF-ZDUSSCGKSA-N 1 2 342.399 0.940 20 30 ECEDLO N#Cc1c2c(cn(C[N@@H+]3CC[C@H](CN4CCOC4=O)C3)c1=O)CCC2 ZINC000495985854 255060985 /nfs/dbraw/zinc/06/09/85/255060985.db2.gz XOXMEFFLCVPSMF-ZDUSSCGKSA-N 1 2 342.399 0.940 20 30 ECEDLO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC000419364345 209070384 /nfs/dbraw/zinc/07/03/84/209070384.db2.gz WGZULOVNGBSPAY-CQSZACIVSA-N 1 2 331.372 0.820 20 30 ECEDLO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1OC ZINC000419364345 209070386 /nfs/dbraw/zinc/07/03/86/209070386.db2.gz WGZULOVNGBSPAY-CQSZACIVSA-N 1 2 331.372 0.820 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](Cc3nnnn3C)C2)C1 ZINC001041696016 782012763 /nfs/dbraw/zinc/01/27/63/782012763.db2.gz JSPHRLVNXHMLPG-KEYYUXOJSA-N 1 2 346.435 0.226 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](Cc3nnnn3C)C2)C1 ZINC001041696016 782012773 /nfs/dbraw/zinc/01/27/73/782012773.db2.gz JSPHRLVNXHMLPG-KEYYUXOJSA-N 1 2 346.435 0.226 20 30 ECEDLO Cn1ncc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1C#N ZINC000527245607 421195621 /nfs/dbraw/zinc/19/56/21/421195621.db2.gz ASFIXHSQGNFJHN-UHFFFAOYSA-N 1 2 329.364 0.073 20 30 ECEDLO COCCNC(=O)CN1CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1 ZINC000282108951 264015316 /nfs/dbraw/zinc/01/53/16/264015316.db2.gz ACZHGSIXOIPBEE-UHFFFAOYSA-N 1 2 346.431 0.447 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284530315 264224306 /nfs/dbraw/zinc/22/43/06/264224306.db2.gz OZVBDYAYHKIHKB-CABCVRRESA-N 1 2 345.399 0.877 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284530315 264224309 /nfs/dbraw/zinc/22/43/09/264224309.db2.gz OZVBDYAYHKIHKB-CABCVRRESA-N 1 2 345.399 0.877 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)cc3C#N)C[C@@H]21 ZINC000285196028 264289090 /nfs/dbraw/zinc/28/90/90/264289090.db2.gz LLTUDTPRAJIKGQ-LSDHHAIUSA-N 1 2 346.362 0.567 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)cc3C#N)C[C@@H]21 ZINC000285196028 264289091 /nfs/dbraw/zinc/28/90/91/264289091.db2.gz LLTUDTPRAJIKGQ-LSDHHAIUSA-N 1 2 346.362 0.567 20 30 ECEDLO N#Cc1cncc(S(=O)(=O)N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000332366883 270005632 /nfs/dbraw/zinc/00/56/32/270005632.db2.gz LAMSSWZZSPHGFT-UHFFFAOYSA-N 1 2 336.417 0.439 20 30 ECEDLO CCN1CCN(S(=O)(=O)c2ccc(C#N)o2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000367809202 270007505 /nfs/dbraw/zinc/00/75/05/270007505.db2.gz JMRUEAFFOWKWCH-GFCCVEGCSA-N 1 2 335.389 0.942 20 30 ECEDLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC(n2cnc(C#N)n2)CC1 ZINC000373416889 266032066 /nfs/dbraw/zinc/03/20/66/266032066.db2.gz JQJBZHBVYNTQTP-OAHLLOKOSA-N 1 2 346.435 0.814 20 30 ECEDLO CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCC(n2cnc(C#N)n2)CC1 ZINC000373416889 266032070 /nfs/dbraw/zinc/03/20/70/266032070.db2.gz JQJBZHBVYNTQTP-OAHLLOKOSA-N 1 2 346.435 0.814 20 30 ECEDLO CCCCNC(=O)NC(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355121852 266034669 /nfs/dbraw/zinc/03/46/69/266034669.db2.gz HHEHMJMCFYRACR-UHFFFAOYSA-N 1 2 344.419 0.701 20 30 ECEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000332339664 266153171 /nfs/dbraw/zinc/15/31/71/266153171.db2.gz DTMKFQLLDGVEGU-OAHLLOKOSA-N 1 2 329.404 0.323 20 30 ECEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000332339664 266153175 /nfs/dbraw/zinc/15/31/75/266153175.db2.gz DTMKFQLLDGVEGU-OAHLLOKOSA-N 1 2 329.404 0.323 20 30 ECEDLO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355125626 266165876 /nfs/dbraw/zinc/16/58/76/266165876.db2.gz MYFFFWAZRRTGHT-LBPRGKRZSA-N 1 2 330.392 0.309 20 30 ECEDLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1 ZINC000290736098 266278193 /nfs/dbraw/zinc/27/81/93/266278193.db2.gz INLSJSNBYJHFTB-UHFFFAOYSA-N 1 2 348.378 0.817 20 30 ECEDLO COC(=O)[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)[C@H]1C ZINC000343690038 266647155 /nfs/dbraw/zinc/64/71/55/266647155.db2.gz MFDOQWQBRZHXPO-WCQYABFASA-N 1 2 337.401 0.610 20 30 ECEDLO COC(=O)[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)[C@H]1C ZINC000343690038 266647157 /nfs/dbraw/zinc/64/71/57/266647157.db2.gz MFDOQWQBRZHXPO-WCQYABFASA-N 1 2 337.401 0.610 20 30 ECEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000289275597 267088925 /nfs/dbraw/zinc/08/89/25/267088925.db2.gz YRZHZPHLCHTFTM-CJNGLKHVSA-N 1 2 342.399 0.818 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccc(C#N)c(O)c1 ZINC000529754476 267330829 /nfs/dbraw/zinc/33/08/29/267330829.db2.gz WOGILHZYIRNBAH-SFHVURJKSA-N 1 2 345.399 0.609 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccc(C#N)c(O)c1 ZINC000529754476 267330831 /nfs/dbraw/zinc/33/08/31/267330831.db2.gz WOGILHZYIRNBAH-SFHVURJKSA-N 1 2 345.399 0.609 20 30 ECEDLO N#Cc1ccc(CS(=O)(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000341488018 268078265 /nfs/dbraw/zinc/07/82/65/268078265.db2.gz QQYZTMGQYCDMQL-UHFFFAOYSA-N 1 2 345.428 0.929 20 30 ECEDLO CO/N=C/C(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000376173452 277047130 /nfs/dbraw/zinc/04/71/30/277047130.db2.gz LGIIWRQLWIQOLJ-HNEYUBDGSA-N 1 2 340.424 0.772 20 30 ECEDLO Cc1nnc(N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)c(C#N)c1C ZINC000374545797 279224596 /nfs/dbraw/zinc/22/45/96/279224596.db2.gz NXDJZVXTHFTVPT-OAHLLOKOSA-N 1 2 328.420 0.756 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000452100164 288177518 /nfs/dbraw/zinc/17/75/18/288177518.db2.gz DEVPEHUMMGYCOW-LLVKDONJSA-N 1 2 343.836 0.899 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000452100164 288177520 /nfs/dbraw/zinc/17/75/20/288177520.db2.gz DEVPEHUMMGYCOW-LLVKDONJSA-N 1 2 343.836 0.899 20 30 ECEDLO C=CC[N@H+](Cc1nnnn1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000343562861 437604449 /nfs/dbraw/zinc/60/44/49/437604449.db2.gz KKFCXKQLYPTCAZ-LBPRGKRZSA-N 1 2 325.380 0.935 20 30 ECEDLO C=CC[N@@H+](Cc1nnnn1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000343562861 437604457 /nfs/dbraw/zinc/60/44/57/437604457.db2.gz KKFCXKQLYPTCAZ-LBPRGKRZSA-N 1 2 325.380 0.935 20 30 ECEDLO CN(C)C(=O)NCCN(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000330752669 437604822 /nfs/dbraw/zinc/60/48/22/437604822.db2.gz CPIVHAXCKGLDBZ-AWEZNQCLSA-N 1 2 326.441 0.564 20 30 ECEDLO CN(C)C(=O)NCCN(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000330752669 437604829 /nfs/dbraw/zinc/60/48/29/437604829.db2.gz CPIVHAXCKGLDBZ-AWEZNQCLSA-N 1 2 326.441 0.564 20 30 ECEDLO CN(C)C(=O)[C@H]1CC[C@@H](C(=O)NCC[N@@H+]2CCOCC2(C)C)O1 ZINC000329243914 289023623 /nfs/dbraw/zinc/02/36/23/289023623.db2.gz PKRBJVHCHXGEFP-QWHCGFSZSA-N 1 2 327.425 0.690 20 30 ECEDLO CN(C)C(=O)[C@H]1CC[C@@H](C(=O)NCC[N@H+]2CCOCC2(C)C)O1 ZINC000329243914 289023627 /nfs/dbraw/zinc/02/36/27/289023627.db2.gz PKRBJVHCHXGEFP-QWHCGFSZSA-N 1 2 327.425 0.690 20 30 ECEDLO C[C@@H]1C[NH+](C[C@H]2CCCN2S(=O)(=O)N(C)CCC#N)C[C@@H](C)O1 ZINC000408071255 297027389 /nfs/dbraw/zinc/02/73/89/297027389.db2.gz BFYOGHYMZYIMJR-RBSFLKMASA-N 1 2 344.481 0.650 20 30 ECEDLO Cn1cc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c(C(F)(F)F)n1 ZINC000329785967 294256145 /nfs/dbraw/zinc/25/61/45/294256145.db2.gz QJGDELGAVLWMJN-VHSXEESVSA-N 1 2 333.314 0.999 20 30 ECEDLO Cn1cc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c(C(F)(F)F)n1 ZINC000329785967 294256149 /nfs/dbraw/zinc/25/61/49/294256149.db2.gz QJGDELGAVLWMJN-VHSXEESVSA-N 1 2 333.314 0.999 20 30 ECEDLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000452100278 300262553 /nfs/dbraw/zinc/26/25/53/300262553.db2.gz DSQJWJKEXBMUTA-NSHDSACASA-N 1 2 343.836 0.899 20 30 ECEDLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000452100278 300262556 /nfs/dbraw/zinc/26/25/56/300262556.db2.gz DSQJWJKEXBMUTA-NSHDSACASA-N 1 2 343.836 0.899 20 30 ECEDLO CN(C)C(=O)C[NH+]1CCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000032543179 436241446 /nfs/dbraw/zinc/24/14/46/436241446.db2.gz IYEFLKNADAFOPN-UHFFFAOYSA-N 1 2 335.452 0.035 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000028623855 436191149 /nfs/dbraw/zinc/19/11/49/436191149.db2.gz BEFXFLBTLZELPJ-UHFFFAOYSA-N 1 2 329.360 0.891 20 30 ECEDLO CN(C)C(=O)N1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000076430472 436204654 /nfs/dbraw/zinc/20/46/54/436204654.db2.gz FESMXJSBQFJZKE-INIZCTEOSA-N 1 2 346.431 0.792 20 30 ECEDLO CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000078256158 436262542 /nfs/dbraw/zinc/26/25/42/436262542.db2.gz IWTKUJAQUIHGSK-CYBMUJFWSA-N 1 2 344.419 0.698 20 30 ECEDLO C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000042532956 436306954 /nfs/dbraw/zinc/30/69/54/436306954.db2.gz UFYQSWVKQRFPJX-CYBMUJFWSA-N 1 2 346.412 0.613 20 30 ECEDLO C[N@@H+](Cc1nnc2n1CCC2)C[C@H](O)COc1ccc(C#N)cc1 ZINC000079916307 436307901 /nfs/dbraw/zinc/30/79/01/436307901.db2.gz KILNWBOADDKLPC-AWEZNQCLSA-N 1 2 327.388 0.968 20 30 ECEDLO C[N@H+](Cc1nnc2n1CCC2)C[C@H](O)COc1ccc(C#N)cc1 ZINC000079916307 436307904 /nfs/dbraw/zinc/30/79/04/436307904.db2.gz KILNWBOADDKLPC-AWEZNQCLSA-N 1 2 327.388 0.968 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNC2(c3noc(C)n3)CCCC2)CC1 ZINC000081668474 436355155 /nfs/dbraw/zinc/35/51/55/436355155.db2.gz GAOZGOSVAQFUPX-UHFFFAOYSA-N 1 2 331.420 0.514 20 30 ECEDLO CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)n1 ZINC000091213667 436444641 /nfs/dbraw/zinc/44/46/41/436444641.db2.gz HAJDNVJQDBNAJG-UHFFFAOYSA-N 1 2 330.392 0.581 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2C(N)=O)CC1 ZINC000091537111 436452275 /nfs/dbraw/zinc/45/22/75/436452275.db2.gz FJNCHJVMSMBKDB-CABCVRRESA-N 1 2 335.452 0.019 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCCC[C@@H]2C(N)=O)CC1 ZINC000091537111 436452276 /nfs/dbraw/zinc/45/22/76/436452276.db2.gz FJNCHJVMSMBKDB-CABCVRRESA-N 1 2 335.452 0.019 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)Cc2cnn(C)c2)CC1 ZINC000091515991 436452453 /nfs/dbraw/zinc/45/24/53/436452453.db2.gz MCKNGQLANUVQNH-MRXNPFEDSA-N 1 2 332.452 0.544 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)Cc2cnn(C)c2)CC1 ZINC000091515991 436452455 /nfs/dbraw/zinc/45/24/55/436452455.db2.gz MCKNGQLANUVQNH-MRXNPFEDSA-N 1 2 332.452 0.544 20 30 ECEDLO C#CC[N@@H+](CCCNC(=O)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000091618933 436454448 /nfs/dbraw/zinc/45/44/48/436454448.db2.gz DBGDRWNPHDRXMC-SNVBAGLBSA-N 1 2 326.340 0.177 20 30 ECEDLO C#CC[N@H+](CCCNC(=O)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000091618933 436454449 /nfs/dbraw/zinc/45/44/49/436454449.db2.gz DBGDRWNPHDRXMC-SNVBAGLBSA-N 1 2 326.340 0.177 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000047161775 436412081 /nfs/dbraw/zinc/41/20/81/436412081.db2.gz ICOFKSJMDNJKOV-CYBMUJFWSA-N 1 2 333.388 0.783 20 30 ECEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000047342730 436416858 /nfs/dbraw/zinc/41/68/58/436416858.db2.gz IAPSJYNXRQQIRI-ZDUSSCGKSA-N 1 2 330.388 0.345 20 30 ECEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000047342730 436416860 /nfs/dbraw/zinc/41/68/60/436416860.db2.gz IAPSJYNXRQQIRI-ZDUSSCGKSA-N 1 2 330.388 0.345 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000104065860 436556964 /nfs/dbraw/zinc/55/69/64/436556964.db2.gz IGHZLRXYFCEEKL-CQSZACIVSA-N 1 2 330.454 0.041 20 30 ECEDLO N#Cc1nncn1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000054746984 436558387 /nfs/dbraw/zinc/55/83/87/436558387.db2.gz CJYMJYULHPOIMX-UHFFFAOYSA-N 1 2 326.360 0.621 20 30 ECEDLO CC[N@@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C[C@H](C)C#N ZINC000108975444 436622900 /nfs/dbraw/zinc/62/29/00/436622900.db2.gz LTIUQYZBZGZWCM-CYBMUJFWSA-N 1 2 344.419 0.985 20 30 ECEDLO CC[N@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C[C@H](C)C#N ZINC000108975444 436622903 /nfs/dbraw/zinc/62/29/03/436622903.db2.gz LTIUQYZBZGZWCM-CYBMUJFWSA-N 1 2 344.419 0.985 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000109814309 436627541 /nfs/dbraw/zinc/62/75/41/436627541.db2.gz ARYODFJGTZMRDE-AWEZNQCLSA-N 1 2 330.388 0.736 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000109814309 436627544 /nfs/dbraw/zinc/62/75/44/436627544.db2.gz ARYODFJGTZMRDE-AWEZNQCLSA-N 1 2 330.388 0.736 20 30 ECEDLO N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000057554378 436613628 /nfs/dbraw/zinc/61/36/28/436613628.db2.gz HMMGRRADAAGEAI-OAHLLOKOSA-N 1 2 347.440 0.826 20 30 ECEDLO N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000057554378 436613631 /nfs/dbraw/zinc/61/36/31/436613631.db2.gz HMMGRRADAAGEAI-OAHLLOKOSA-N 1 2 347.440 0.826 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000112921102 436634492 /nfs/dbraw/zinc/63/44/92/436634492.db2.gz MGWINVRMUJFYAV-UHFFFAOYSA-N 1 2 331.328 0.564 20 30 ECEDLO N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CCO1 ZINC000113640674 436638800 /nfs/dbraw/zinc/63/88/00/436638800.db2.gz MVGZSLCSPHUZPW-CQSZACIVSA-N 1 2 325.328 0.562 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cn1 ZINC000115343153 436646377 /nfs/dbraw/zinc/64/63/77/436646377.db2.gz LWVGBERSGXGPRQ-INIZCTEOSA-N 1 2 332.429 0.891 20 30 ECEDLO Cc1onc(CC(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)c1C#N ZINC000548023607 302280616 /nfs/dbraw/zinc/28/06/16/302280616.db2.gz FANFPIGDXZRUDN-AWEZNQCLSA-N 1 2 332.404 0.966 20 30 ECEDLO Cc1onc(CC(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)c1C#N ZINC000548023607 302280617 /nfs/dbraw/zinc/28/06/17/302280617.db2.gz FANFPIGDXZRUDN-AWEZNQCLSA-N 1 2 332.404 0.966 20 30 ECEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]O[C@@H]3CCN(C)C3=O)cn2)n1 ZINC000116267802 436649052 /nfs/dbraw/zinc/64/90/52/436649052.db2.gz RWMYNUSDFICZPX-CYBMUJFWSA-N 1 2 328.376 0.752 20 30 ECEDLO C#CC[N@@H+](C[C@@H](O)COc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066537505 436688478 /nfs/dbraw/zinc/68/84/78/436688478.db2.gz IDDISBNOLADYPG-HUUCEWRRSA-N 1 2 341.404 0.688 20 30 ECEDLO C#CC[N@H+](C[C@@H](O)COc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066537505 436688482 /nfs/dbraw/zinc/68/84/82/436688482.db2.gz IDDISBNOLADYPG-HUUCEWRRSA-N 1 2 341.404 0.688 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000120679082 436695052 /nfs/dbraw/zinc/69/50/52/436695052.db2.gz CQZPAGDJWKCZEA-ZFWWWQNUSA-N 1 2 342.465 0.197 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000120679082 436695055 /nfs/dbraw/zinc/69/50/55/436695055.db2.gz CQZPAGDJWKCZEA-ZFWWWQNUSA-N 1 2 342.465 0.197 20 30 ECEDLO N#Cc1ccc2ncc(CN3CC[NH+](CC(=O)NC4CC4)CC3)n2c1 ZINC000120752864 436698697 /nfs/dbraw/zinc/69/86/97/436698697.db2.gz TVECZRDHBAHIRS-UHFFFAOYSA-N 1 2 338.415 0.602 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH+]1CCC(n2[nH]cc(C(=O)OCC)c2=N)CC1 ZINC000118838766 436664625 /nfs/dbraw/zinc/66/46/25/436664625.db2.gz BHRCYYRHRBPGKY-LBPRGKRZSA-N 1 2 349.435 0.800 20 30 ECEDLO C[C@@H](O)C(=O)N1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000152997161 436745001 /nfs/dbraw/zinc/74/50/01/436745001.db2.gz XLFCBQXSFFTHGF-LLVKDONJSA-N 1 2 336.417 0.473 20 30 ECEDLO CCOc1ccc(OCCNC(=O)CO[NH+]=C(N)CCO)cc1 ZINC000274372745 436819514 /nfs/dbraw/zinc/81/95/14/436819514.db2.gz QQMDWKKRPUGKDH-UHFFFAOYSA-N 1 2 325.365 0.252 20 30 ECEDLO C=C(C)CNC(=O)N1CC[NH+]([C@H](C)C(=O)NCCCOC)CC1 ZINC000156843145 436821040 /nfs/dbraw/zinc/82/10/40/436821040.db2.gz JKLDDRJEKQIUDW-CQSZACIVSA-N 1 2 326.441 0.431 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000246913005 436787697 /nfs/dbraw/zinc/78/76/97/436787697.db2.gz MSBDHSOLAYJPAU-UONOGXRCSA-N 1 2 342.465 0.247 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000246913005 436787699 /nfs/dbraw/zinc/78/76/99/436787699.db2.gz MSBDHSOLAYJPAU-UONOGXRCSA-N 1 2 342.465 0.247 20 30 ECEDLO CCS(=O)(=O)N1CCN(Cc2c[nH+]c3ccc(C#N)cn23)CC1 ZINC000127232499 436798302 /nfs/dbraw/zinc/79/83/02/436798302.db2.gz UKKQDJCKBAUBDY-UHFFFAOYSA-N 1 2 333.417 0.673 20 30 ECEDLO C=CCCOCCNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000127403650 436801442 /nfs/dbraw/zinc/80/14/42/436801442.db2.gz CMOKJCKKNIETCP-AWEZNQCLSA-N 1 2 338.452 0.573 20 30 ECEDLO CC1(C)C[N@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cn2)CCO1 ZINC000292949482 436838356 /nfs/dbraw/zinc/83/83/56/436838356.db2.gz AMBWGOIGTRPMPG-UHFFFAOYSA-N 1 2 331.376 0.119 20 30 ECEDLO CC1(C)C[N@@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cn2)CCO1 ZINC000292949482 436838363 /nfs/dbraw/zinc/83/83/63/436838363.db2.gz AMBWGOIGTRPMPG-UHFFFAOYSA-N 1 2 331.376 0.119 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135721598 436923795 /nfs/dbraw/zinc/92/37/95/436923795.db2.gz MSBDHSOLAYJPAU-KBPBESRZSA-N 1 2 342.465 0.247 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135721598 436923799 /nfs/dbraw/zinc/92/37/99/436923799.db2.gz MSBDHSOLAYJPAU-KBPBESRZSA-N 1 2 342.465 0.247 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cnc1C(F)(F)F ZINC000293514882 436884564 /nfs/dbraw/zinc/88/45/64/436884564.db2.gz YLHJUHSVHUISKQ-GFCCVEGCSA-N 1 2 339.321 0.702 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)CCNS(=O)(=O)c2ccccc2)C1=O ZINC000281437085 436969233 /nfs/dbraw/zinc/96/92/33/436969233.db2.gz SVGQKIVEXTURND-OAHLLOKOSA-N 1 2 337.445 0.684 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)CCNS(=O)(=O)c2ccccc2)C1=O ZINC000281437085 436969234 /nfs/dbraw/zinc/96/92/34/436969234.db2.gz SVGQKIVEXTURND-OAHLLOKOSA-N 1 2 337.445 0.684 20 30 ECEDLO N#CC1(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCCC1 ZINC000172524535 437016820 /nfs/dbraw/zinc/01/68/20/437016820.db2.gz UZLJRCVQCXLFQZ-OAHLLOKOSA-N 1 2 348.447 0.510 20 30 ECEDLO Cn1cc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2ccc(F)c(C#N)c2)cn1 ZINC000181700325 302925475 /nfs/dbraw/zinc/92/54/75/302925475.db2.gz LCAGJCBOBRDGRZ-HNNXBMFYSA-N 1 2 349.391 0.766 20 30 ECEDLO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000275703119 437001881 /nfs/dbraw/zinc/00/18/81/437001881.db2.gz SSGLSMIQVTZNSF-NSHDSACASA-N 1 2 345.371 0.835 20 30 ECEDLO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000275703119 437001885 /nfs/dbraw/zinc/00/18/85/437001885.db2.gz SSGLSMIQVTZNSF-NSHDSACASA-N 1 2 345.371 0.835 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C)CC1 ZINC000282399769 437013465 /nfs/dbraw/zinc/01/34/65/437013465.db2.gz HNRXXFGLKQAELA-UHFFFAOYSA-N 1 2 344.444 0.562 20 30 ECEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)/C=C/c2ccc(OCC#N)cc2)C1 ZINC000264792890 437085946 /nfs/dbraw/zinc/08/59/46/437085946.db2.gz UZRPITKZPDVRJL-WHWKNOJMSA-N 1 2 328.416 0.964 20 30 ECEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)/C=C/c2ccc(OCC#N)cc2)C1 ZINC000264792890 437085949 /nfs/dbraw/zinc/08/59/49/437085949.db2.gz UZRPITKZPDVRJL-WHWKNOJMSA-N 1 2 328.416 0.964 20 30 ECEDLO C=CCSCCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000285832458 437086058 /nfs/dbraw/zinc/08/60/58/437086058.db2.gz ZXVVUEZBZMNFGS-CQSZACIVSA-N 1 2 343.493 0.495 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000331474484 437103710 /nfs/dbraw/zinc/10/37/10/437103710.db2.gz MODKWBFDWSHSTN-TZMCWYRMSA-N 1 2 330.454 0.166 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000331474484 437103716 /nfs/dbraw/zinc/10/37/16/437103716.db2.gz MODKWBFDWSHSTN-TZMCWYRMSA-N 1 2 330.454 0.166 20 30 ECEDLO C#CCNc1nc(N(C)CC[C@@H](C)O)[nH+]c(N(C)CC[C@@H](C)O)n1 ZINC000287178681 437167577 /nfs/dbraw/zinc/16/75/77/437167577.db2.gz GROCIHCDWVFOCK-CHWSQXEVSA-N 1 2 336.440 0.331 20 30 ECEDLO Cn1cc(N2CC[NH+](CC(=O)NCc3ccc(C#N)cc3)CC2)cn1 ZINC000266927188 437266351 /nfs/dbraw/zinc/26/63/51/437266351.db2.gz KNOPUYWSHREARZ-UHFFFAOYSA-N 1 2 338.415 0.730 20 30 ECEDLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328829880 437269585 /nfs/dbraw/zinc/26/95/85/437269585.db2.gz USCMDDPIWKBADC-GASCZTMLSA-N 1 2 348.403 0.432 20 30 ECEDLO N#CCN1CCC[C@@H](CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000332836424 437252058 /nfs/dbraw/zinc/25/20/58/437252058.db2.gz FGMCKGOPLBFXAU-DOTOQJQBSA-N 1 2 334.464 0.982 20 30 ECEDLO N#CCN1CCC[C@@H](CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000332836424 437252064 /nfs/dbraw/zinc/25/20/64/437252064.db2.gz FGMCKGOPLBFXAU-DOTOQJQBSA-N 1 2 334.464 0.982 20 30 ECEDLO Cn1cc([C@@H]2C[N@H+](CC(=O)Nc3sccc3C#N)C[C@H]2CO)cn1 ZINC000277782643 437253523 /nfs/dbraw/zinc/25/35/23/437253523.db2.gz NYCFAVMBONFIRR-KBPBESRZSA-N 1 2 345.428 1.000 20 30 ECEDLO Cn1cc([C@@H]2C[N@@H+](CC(=O)Nc3sccc3C#N)C[C@H]2CO)cn1 ZINC000277782643 437253527 /nfs/dbraw/zinc/25/35/27/437253527.db2.gz NYCFAVMBONFIRR-KBPBESRZSA-N 1 2 345.428 1.000 20 30 ECEDLO CC(=O)N1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000328749904 437259172 /nfs/dbraw/zinc/25/91/72/437259172.db2.gz QZDKCVWPEUGVOM-MRXNPFEDSA-N 1 2 331.420 0.734 20 30 ECEDLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328833671 437271701 /nfs/dbraw/zinc/27/17/01/437271701.db2.gz LIKWWZMPPBHVOQ-GDBMZVCRSA-N 1 2 349.435 1.109 20 30 ECEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000334075058 437296544 /nfs/dbraw/zinc/29/65/44/437296544.db2.gz OIRJNXYWWPXOFN-NEPJUHHUSA-N 1 2 329.422 0.040 20 30 ECEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000334075058 437296547 /nfs/dbraw/zinc/29/65/47/437296547.db2.gz OIRJNXYWWPXOFN-NEPJUHHUSA-N 1 2 329.422 0.040 20 30 ECEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCc2ccn(C)n2)CC1 ZINC000329007984 437300111 /nfs/dbraw/zinc/30/01/11/437300111.db2.gz ZOJQWAMLEUNVSC-AWEZNQCLSA-N 1 2 348.451 0.463 20 30 ECEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CC[C@H](O)C3)ccn2)CC1 ZINC000329308517 437349981 /nfs/dbraw/zinc/34/99/81/437349981.db2.gz ZVYGNLVJXXKNDL-ZDUSSCGKSA-N 1 2 333.392 0.081 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337403681 437360256 /nfs/dbraw/zinc/36/02/56/437360256.db2.gz LSWUJHFRYLBNJS-NWDGAFQWSA-N 1 2 331.438 0.286 20 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Cc1nnc2n1C[C@H](CNC(=O)N1CC[C@@H]3OCC[N@H+](C)[C@H]3C1)CC2 ZINC000329149947 437326073 /nfs/dbraw/zinc/32/60/73/437326073.db2.gz ZFAJLZJGDDTVES-KKUMJFAQSA-N 1 2 348.451 0.468 20 30 ECEDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1cnc2n[nH]nc2c1 ZINC000329160608 437328338 /nfs/dbraw/zinc/32/83/38/437328338.db2.gz YIBUAQOEXGYLOY-OAHLLOKOSA-N 1 2 348.432 0.865 20 30 ECEDLO CCO[C@@H]1C[C@H](NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)[C@@H]1OC ZINC000329228618 437336306 /nfs/dbraw/zinc/33/63/06/437336306.db2.gz IUHRQXNRAGPSJZ-NPJQDHAYSA-N 1 2 341.452 0.888 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)C1=O ZINC000337189783 437339453 /nfs/dbraw/zinc/33/94/53/437339453.db2.gz RHRHNHURODMHRZ-HZPDHXFCSA-N 1 2 335.448 0.877 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)C1=O ZINC000337189783 437339458 /nfs/dbraw/zinc/33/94/58/437339458.db2.gz RHRHNHURODMHRZ-HZPDHXFCSA-N 1 2 335.448 0.877 20 30 ECEDLO CC(=O)N1CCC[C@H](CNC(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000329916521 437431384 /nfs/dbraw/zinc/43/13/84/437431384.db2.gz DTQVZVNOZIGMLV-DZGCQCFKSA-N 1 2 326.441 0.469 20 30 ECEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H](c3nc(=O)[nH][nH]3)C2)CCCCC1 ZINC000289408750 437407033 /nfs/dbraw/zinc/40/70/33/437407033.db2.gz LQFQBALLRHHQOR-LBPRGKRZSA-N 1 2 332.408 0.620 20 30 ECEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H](c3nc(=O)[nH][nH]3)C2)CCCCC1 ZINC000289408750 437407037 /nfs/dbraw/zinc/40/70/37/437407037.db2.gz LQFQBALLRHHQOR-LBPRGKRZSA-N 1 2 332.408 0.620 20 30 ECEDLO CC[C@@H]1CN(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)CC[N@@H+]1C[C@@H](C)O ZINC000329740852 437408223 /nfs/dbraw/zinc/40/82/23/437408223.db2.gz OGPUGADADSNIBV-REWJHTLYSA-N 1 2 347.481 0.111 20 30 ECEDLO CC[C@@H]1CN(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)CC[N@H+]1C[C@@H](C)O ZINC000329740852 437408228 /nfs/dbraw/zinc/40/82/28/437408228.db2.gz OGPUGADADSNIBV-REWJHTLYSA-N 1 2 347.481 0.111 20 30 ECEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCN2CCOC[C@H]2C1 ZINC000329847015 437421107 /nfs/dbraw/zinc/42/11/07/437421107.db2.gz PDMKNLOGTUTSLF-HUUCEWRRSA-N 1 2 331.420 0.591 20 30 ECEDLO C=CCn1c([C@@H]2CCCO2)nnc1N1CC[NH+](CC(=O)NCC)CC1 ZINC000337804670 437380328 /nfs/dbraw/zinc/38/03/28/437380328.db2.gz GZUNVMUUUTXGFC-AWEZNQCLSA-N 1 2 348.451 0.574 20 30 ECEDLO CSc1[nH]c(=O)c(C(=O)NCCC[NH+]2CCOCC2)cc1C#N ZINC000338114053 437390773 /nfs/dbraw/zinc/39/07/73/437390773.db2.gz VYCPUFPZPFRGBI-UHFFFAOYSA-N 1 2 336.417 0.833 20 30 ECEDLO C[C@H]([C@H](C)NC(=O)N1C[C@H]2OCCN(C)[C@H]2C1)[NH+]1CCOCC1 ZINC000329637907 437394629 /nfs/dbraw/zinc/39/46/29/437394629.db2.gz YUWVJMXUUSCXHV-LJISPDSOSA-N 1 2 326.441 0.024 20 30 ECEDLO CC1(C)[C@H](O)C[C@H]1NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000330226820 437471685 /nfs/dbraw/zinc/47/16/85/437471685.db2.gz BSSKAFOLUPQYKE-CHWSQXEVSA-N 1 2 337.424 0.701 20 30 ECEDLO Cc1cc(NC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)n[nH]1 ZINC000330273947 437477944 /nfs/dbraw/zinc/47/79/44/437477944.db2.gz ZZANMVQAHSUGTF-UHFFFAOYSA-N 1 2 343.391 1.158 20 30 ECEDLO CN(C)C(=O)c1cc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)ccn1 ZINC000329930175 437433505 /nfs/dbraw/zinc/43/35/05/437433505.db2.gz OFPSPJWVHXNYIR-ZIAGYGMSSA-N 1 2 333.392 0.344 20 30 ECEDLO CN(C)C(=O)c1cc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)ccn1 ZINC000329930175 437433507 /nfs/dbraw/zinc/43/35/07/437433507.db2.gz OFPSPJWVHXNYIR-ZIAGYGMSSA-N 1 2 333.392 0.344 20 30 ECEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cccc(N4CCNC4=O)c3)C[C@H]21 ZINC000329936610 437433775 /nfs/dbraw/zinc/43/37/75/437433775.db2.gz LCTPNHSESSDNQJ-CABCVRRESA-N 1 2 345.403 0.981 20 30 ECEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cccc(N4CCNC4=O)c3)C[C@H]21 ZINC000329936610 437433779 /nfs/dbraw/zinc/43/37/79/437433779.db2.gz LCTPNHSESSDNQJ-CABCVRRESA-N 1 2 345.403 0.981 20 30 ECEDLO O=S1(=O)CCC[C@@H]1C[NH+]=C([O-])NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329958659 437438411 /nfs/dbraw/zinc/43/84/11/437438411.db2.gz QEFSNXHFNWJWOP-VXGBXAGGSA-N 1 2 326.422 0.526 20 30 ECEDLO O=S1(=O)CCC[C@@H]1CNC([O-])=[NH+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000329958659 437438415 /nfs/dbraw/zinc/43/84/15/437438415.db2.gz QEFSNXHFNWJWOP-VXGBXAGGSA-N 1 2 326.422 0.526 20 30 ECEDLO O=C(NC[C@H]1CCCS1(=O)=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329958659 437438419 /nfs/dbraw/zinc/43/84/19/437438419.db2.gz QEFSNXHFNWJWOP-VXGBXAGGSA-N 1 2 326.422 0.526 20 30 ECEDLO CSC1(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CCOCC1 ZINC000329984427 437441326 /nfs/dbraw/zinc/44/13/26/437441326.db2.gz QIZIGTQASGYWJF-OLZOCXBDSA-N 1 2 329.466 0.827 20 30 ECEDLO CSC1(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CCOCC1 ZINC000329984427 437441328 /nfs/dbraw/zinc/44/13/28/437441328.db2.gz QIZIGTQASGYWJF-OLZOCXBDSA-N 1 2 329.466 0.827 20 30 ECEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)C1 ZINC000329984246 437441707 /nfs/dbraw/zinc/44/17/07/437441707.db2.gz CAFSPRHUXDVHAI-CZUORRHYSA-N 1 2 327.425 0.501 20 30 ECEDLO C[N@H+]1CCO[C@H](CNC(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)C1 ZINC000329984246 437441711 /nfs/dbraw/zinc/44/17/11/437441711.db2.gz CAFSPRHUXDVHAI-CZUORRHYSA-N 1 2 327.425 0.501 20 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/nfs/dbraw/zinc/50/93/32/437509332.db2.gz HSKOHVCMMWXMID-LBPRGKRZSA-N 1 2 327.406 0.230 20 30 ECEDLO CCS(=O)(=O)NCCNC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000330436582 437509995 /nfs/dbraw/zinc/50/99/95/437509995.db2.gz BEKGUOMZWMHZRQ-UHFFFAOYSA-N 1 2 329.426 0.162 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN([C@@H](CC(C)C)C(=O)OCC)CC1 ZINC000360069860 437514890 /nfs/dbraw/zinc/51/48/90/437514890.db2.gz REGLYKDIWLAXGX-HNNXBMFYSA-N 1 2 325.453 0.884 20 30 ECEDLO CC(C)CNC(=O)NC(=O)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000330542361 437546689 /nfs/dbraw/zinc/54/66/89/437546689.db2.gz AKPMEQZJCFGNMY-BFHYXJOUSA-N 1 2 327.425 0.534 20 30 ECEDLO CC(C)CNC(=O)NC(=O)C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000330542361 437546692 /nfs/dbraw/zinc/54/66/92/437546692.db2.gz AKPMEQZJCFGNMY-BFHYXJOUSA-N 1 2 327.425 0.534 20 30 ECEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000330664181 437582733 /nfs/dbraw/zinc/58/27/33/437582733.db2.gz YCKJBJYRSRSAJZ-FZMZJTMJSA-N 1 2 336.417 0.638 20 30 ECEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000330664181 437582738 /nfs/dbraw/zinc/58/27/38/437582738.db2.gz YCKJBJYRSRSAJZ-FZMZJTMJSA-N 1 2 336.417 0.638 20 30 ECEDLO O=C(C[NH+]1CCN(CC#Cc2ccccc2)CC1)N1CCOCC1 ZINC000191875100 437656809 /nfs/dbraw/zinc/65/68/09/437656809.db2.gz IZBXMQXZATYWDQ-UHFFFAOYSA-N 1 2 327.428 0.515 20 30 ECEDLO CCOC(=O)C1(O)CC[NH+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)CC1 ZINC000330977506 437661383 /nfs/dbraw/zinc/66/13/83/437661383.db2.gz IJAVYBBRLWXDMO-NSHDSACASA-N 1 2 343.424 0.594 20 30 ECEDLO CNC(=O)NC(=O)CC[N@@H+]1CCSC[C@H]1C(=O)OC(C)(C)C ZINC000330993924 437666570 /nfs/dbraw/zinc/66/65/70/437666570.db2.gz IBOJNIDRWWTUCE-JTQLQIEISA-N 1 2 331.438 0.796 20 30 ECEDLO CNC(=O)NC(=O)CC[N@H+]1CCSC[C@H]1C(=O)OC(C)(C)C ZINC000330993924 437666573 /nfs/dbraw/zinc/66/65/73/437666573.db2.gz IBOJNIDRWWTUCE-JTQLQIEISA-N 1 2 331.438 0.796 20 30 ECEDLO CSc1c(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cnn1C ZINC000331084779 437685270 /nfs/dbraw/zinc/68/52/70/437685270.db2.gz 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CCS(=O)(=O)C[C@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000331229720 437723083 /nfs/dbraw/zinc/72/30/83/437723083.db2.gz PHASHCTWNDELQU-QWHCGFSZSA-N 1 2 349.497 0.501 20 30 ECEDLO CCS(=O)(=O)C[C@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000331229720 437723088 /nfs/dbraw/zinc/72/30/88/437723088.db2.gz PHASHCTWNDELQU-QWHCGFSZSA-N 1 2 349.497 0.501 20 30 ECEDLO CNS(=O)(=O)CCNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000331262628 437729551 /nfs/dbraw/zinc/72/95/51/437729551.db2.gz MVGRISHUHGGVFE-UHFFFAOYSA-N 1 2 346.478 0.329 20 30 ECEDLO CCS(=O)(=O)C1CCN(C(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000331293171 437736229 /nfs/dbraw/zinc/73/62/29/437736229.db2.gz QNEJEXZYMDLVRX-ZDUSSCGKSA-N 1 2 347.481 0.520 20 30 ECEDLO CCS(=O)(=O)C1CCN(C(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000331293171 437736233 /nfs/dbraw/zinc/73/62/33/437736233.db2.gz QNEJEXZYMDLVRX-ZDUSSCGKSA-N 1 2 347.481 0.520 20 30 ECEDLO CC(C)Cn1c(N)c(C(=O)C[NH2+][C@H]2CCC[C@H]2C#N)c(=O)n(C)c1=O ZINC000331353081 437744100 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342.399 0.785 20 30 ECEDLO Cc1c(C#N)cccc1NC(=O)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000453932715 438702244 /nfs/dbraw/zinc/70/22/44/438702244.db2.gz BZBNVXGOFGAYRK-GASCZTMLSA-N 1 2 342.399 0.785 20 30 ECEDLO Cc1cccc(NC(=O)C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1C#N ZINC000453938518 438702459 /nfs/dbraw/zinc/70/24/59/438702459.db2.gz FOYLDCLZEBDDHC-OKILXGFUSA-N 1 2 342.399 0.785 20 30 ECEDLO Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1C#N ZINC000453938518 438702463 /nfs/dbraw/zinc/70/24/63/438702463.db2.gz FOYLDCLZEBDDHC-OKILXGFUSA-N 1 2 342.399 0.785 20 30 ECEDLO C[C@H](C#N)CNC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495106728 438718778 /nfs/dbraw/zinc/71/87/78/438718778.db2.gz SDMZOJVBOBRIHE-OLZOCXBDSA-N 1 2 339.440 0.996 20 30 ECEDLO C[C@H](C#N)CNC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495106728 438718781 /nfs/dbraw/zinc/71/87/81/438718781.db2.gz SDMZOJVBOBRIHE-OLZOCXBDSA-N 1 2 339.440 0.996 20 30 ECEDLO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C=[NH+]n2ccnn2)C1 ZINC000497212481 438780121 /nfs/dbraw/zinc/78/01/21/438780121.db2.gz VJUBEGWQUQJTRF-GFCCVEGCSA-N 1 2 336.396 0.875 20 30 ECEDLO N#Cc1ccnc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000588304586 438829888 /nfs/dbraw/zinc/82/98/88/438829888.db2.gz DGDWKCSIYZDFGW-MRXNPFEDSA-N 1 2 332.429 0.891 20 30 ECEDLO CN(CCC#N)S(=O)(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000601452151 438899637 /nfs/dbraw/zinc/89/96/37/438899637.db2.gz FYMWUCUAXNYCQB-STQMWFEESA-N 1 2 330.454 0.166 20 30 ECEDLO N#Cc1cccc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC000589321916 438868771 /nfs/dbraw/zinc/86/87/71/438868771.db2.gz MSRBAKQKNPVVGV-UHFFFAOYSA-N 1 2 337.387 0.295 20 30 ECEDLO N#CC1(CS(=O)(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CCC1 ZINC000577902950 438880498 /nfs/dbraw/zinc/88/04/98/438880498.db2.gz VAEADMYIIXFRGA-CQSZACIVSA-N 1 2 327.450 0.807 20 30 ECEDLO C=C[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000516134170 438894104 /nfs/dbraw/zinc/89/41/04/438894104.db2.gz RNDLXIJFYPOISS-JKSUJKDBSA-N 1 2 335.448 0.734 20 30 ECEDLO CCc1nc(C#N)cc(N2CC[NH+](CC(=O)N[C@H](C)CC)CC2)n1 ZINC000596072806 438922396 /nfs/dbraw/zinc/92/23/96/438922396.db2.gz ISXFNHDQJKHMTN-CYBMUJFWSA-N 1 2 330.436 0.947 20 30 ECEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cc(C#N)cnn2)CC1 ZINC000596107704 438925092 /nfs/dbraw/zinc/92/50/92/438925092.db2.gz MWKAYFWQCCJDIR-ZDUSSCGKSA-N 1 2 328.420 0.918 20 30 ECEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000590588867 438937098 /nfs/dbraw/zinc/93/70/98/438937098.db2.gz SRZUIANMPBQKFK-UHFFFAOYSA-N 1 2 335.429 0.819 20 30 ECEDLO C=C(CC)CNC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000459073589 438942332 /nfs/dbraw/zinc/94/23/32/438942332.db2.gz JRSKBWYPGOSEDA-HNNXBMFYSA-N 1 2 338.452 0.527 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)C1(C#N)CC2(CC2)C1 ZINC000601681233 438955269 /nfs/dbraw/zinc/95/52/69/438955269.db2.gz XPLHVXNSOLDFJP-SFHVURJKSA-N 1 2 333.432 0.802 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)C1(C#N)CC2(CC2)C1 ZINC000601681233 438955271 /nfs/dbraw/zinc/95/52/71/438955271.db2.gz XPLHVXNSOLDFJP-SFHVURJKSA-N 1 2 333.432 0.802 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCC1(C#N)CCCCC1 ZINC000596862513 439010128 /nfs/dbraw/zinc/01/01/28/439010128.db2.gz VYQIJXHPBAPRIP-HNNXBMFYSA-N 1 2 338.452 0.795 20 30 ECEDLO N#Cc1nccc(NC[C@]2(CO)COCC[N@@H+]2Cc2ccccc2)n1 ZINC000596516164 438971358 /nfs/dbraw/zinc/97/13/58/438971358.db2.gz RXOBMGKJTROLDS-SFHVURJKSA-N 1 2 339.399 0.446 20 30 ECEDLO N#Cc1nccc(NC[C@]2(CO)COCC[N@H+]2Cc2ccccc2)n1 ZINC000596516164 438971364 /nfs/dbraw/zinc/97/13/64/438971364.db2.gz RXOBMGKJTROLDS-SFHVURJKSA-N 1 2 339.399 0.446 20 30 ECEDLO COCCN(CC#N)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000459546876 438976111 /nfs/dbraw/zinc/97/61/11/438976111.db2.gz UKLLTUVVLWKPED-UHFFFAOYSA-N 1 2 331.420 0.592 20 30 ECEDLO CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000602025555 438999757 /nfs/dbraw/zinc/99/97/57/438999757.db2.gz YEEBSKUQUCDRQQ-UHFFFAOYSA-N 1 2 348.378 0.863 20 30 ECEDLO CC1(C)COCC[N@H+]1CCNC(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000602025555 438999762 /nfs/dbraw/zinc/99/97/62/438999762.db2.gz YEEBSKUQUCDRQQ-UHFFFAOYSA-N 1 2 348.378 0.863 20 30 ECEDLO Cc1cc(NC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)nn1CCC#N ZINC000596817039 439003880 /nfs/dbraw/zinc/00/38/80/439003880.db2.gz SXFUQJMFZUHQFV-KGLIPLIRSA-N 1 2 334.424 1.336 20 30 ECEDLO Cc1cc(NC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)nn1CCC#N ZINC000596817039 439003885 /nfs/dbraw/zinc/00/38/85/439003885.db2.gz SXFUQJMFZUHQFV-KGLIPLIRSA-N 1 2 334.424 1.336 20 30 ECEDLO CN(Cc1c(C#N)cccc1[N+](=O)[O-])C[C@@H](O)C[NH+]1CCOCC1 ZINC000459353511 438960453 /nfs/dbraw/zinc/96/04/53/438960453.db2.gz ZJCFTHUHAYZNOU-CQSZACIVSA-N 1 2 334.376 0.591 20 30 ECEDLO CC[C@H](C)[C@H](NC(=O)[C@@H](C)CC#N)C(=O)NCC[NH+]1CCOCC1 ZINC000597207963 439057302 /nfs/dbraw/zinc/05/73/02/439057302.db2.gz IHWUKRMCTMNOJF-KKUMJFAQSA-N 1 2 338.452 0.515 20 30 ECEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000602279942 439057364 /nfs/dbraw/zinc/05/73/64/439057364.db2.gz GIEXHSIALNGTND-ZFWWWQNUSA-N 1 2 344.419 0.106 20 30 ECEDLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000602279942 439057367 /nfs/dbraw/zinc/05/73/67/439057367.db2.gz GIEXHSIALNGTND-ZFWWWQNUSA-N 1 2 344.419 0.106 20 30 ECEDLO C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)n1nnc(-c2ccccc2)n1 ZINC000566306193 439037336 /nfs/dbraw/zinc/03/73/36/439037336.db2.gz ITTXUUZNEHYOFY-MLGOLLRUSA-N 1 2 327.392 0.861 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCc1ccc(CC#N)cc1 ZINC000519540355 439039208 /nfs/dbraw/zinc/03/92/08/439039208.db2.gz OIZLNINLUUOPTA-CQSZACIVSA-N 1 2 344.415 0.206 20 30 ECEDLO N#C[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)CCO1 ZINC000602378674 439076707 /nfs/dbraw/zinc/07/67/07/439076707.db2.gz IIPAFXZLMSOJEK-CVEARBPZSA-N 1 2 345.403 0.216 20 30 ECEDLO N#C[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)CCO1 ZINC000602378674 439076713 /nfs/dbraw/zinc/07/67/13/439076713.db2.gz IIPAFXZLMSOJEK-CVEARBPZSA-N 1 2 345.403 0.216 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[NH2+]Cc2nnnn2C2CC2)c1 ZINC000591746772 439079425 /nfs/dbraw/zinc/07/94/25/439079425.db2.gz ZHPSIGCQINVZKA-UHFFFAOYSA-N 1 2 332.389 0.443 20 30 ECEDLO C=CCCSCCNC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000597361557 439084828 /nfs/dbraw/zinc/08/48/28/439084828.db2.gz TWKRHKLBKUZITH-CYBMUJFWSA-N 1 2 329.466 0.249 20 30 ECEDLO C=CCCSCCNC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000597361557 439084831 /nfs/dbraw/zinc/08/48/31/439084831.db2.gz TWKRHKLBKUZITH-CYBMUJFWSA-N 1 2 329.466 0.249 20 30 ECEDLO CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592149121 439167972 /nfs/dbraw/zinc/16/79/72/439167972.db2.gz JDTZXYUDXBELPK-QGZVFWFLSA-N 1 2 330.388 0.725 20 30 ECEDLO CCNC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592149121 439167977 /nfs/dbraw/zinc/16/79/77/439167977.db2.gz JDTZXYUDXBELPK-QGZVFWFLSA-N 1 2 330.388 0.725 20 30 ECEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ncc(C#N)cc2C)CC1 ZINC000522016144 439139288 /nfs/dbraw/zinc/13/92/88/439139288.db2.gz FFGMPJQNWMOLNX-UHFFFAOYSA-N 1 2 329.404 0.546 20 30 ECEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ncc(C#N)cc2C)CC1 ZINC000522016144 439139293 /nfs/dbraw/zinc/13/92/93/439139293.db2.gz FFGMPJQNWMOLNX-UHFFFAOYSA-N 1 2 329.404 0.546 20 30 ECEDLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602856466 439144570 /nfs/dbraw/zinc/14/45/70/439144570.db2.gz MHALVXBISKPZSE-MGPQQGTHSA-N 1 2 335.452 0.030 20 30 ECEDLO COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602855349 439144887 /nfs/dbraw/zinc/14/48/87/439144887.db2.gz GWAKXXHREVJSLC-ZNMIVQPWSA-N 1 2 338.452 0.608 20 30 ECEDLO COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602855349 439144891 /nfs/dbraw/zinc/14/48/91/439144891.db2.gz GWAKXXHREVJSLC-ZNMIVQPWSA-N 1 2 338.452 0.608 20 30 ECEDLO C[C@H](NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)C(=O)N1CCCCC1 ZINC000602854250 439145404 /nfs/dbraw/zinc/14/54/04/439145404.db2.gz AZLFIZHXFRFUNP-XHSDSOJGSA-N 1 2 349.479 0.422 20 30 ECEDLO C[C@H](NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)C(=O)N1CCCCC1 ZINC000602854250 439145407 /nfs/dbraw/zinc/14/54/07/439145407.db2.gz AZLFIZHXFRFUNP-XHSDSOJGSA-N 1 2 349.479 0.422 20 30 ECEDLO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602866543 439147601 /nfs/dbraw/zinc/14/76/01/439147601.db2.gz VVIDMTHDOAJCKH-GARJFASQSA-N 1 2 349.357 0.681 20 30 ECEDLO Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)n1C ZINC000602939151 439165372 /nfs/dbraw/zinc/16/53/72/439165372.db2.gz ALICEOYLOMLJRN-CXAGYDPISA-N 1 2 347.467 0.689 20 30 ECEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2cc(C#N)ncn2)CC1 ZINC000525892390 439223199 /nfs/dbraw/zinc/22/31/99/439223199.db2.gz CVMUHCXDWGKMCQ-CQSZACIVSA-N 1 2 328.420 0.871 20 30 ECEDLO N#Cc1ccc(N2CC[C@H](n3cc([C@H]4COCC[NH2+]4)nn3)C2=O)cc1 ZINC000603189544 439205846 /nfs/dbraw/zinc/20/58/46/439205846.db2.gz CYAIULHPMPIVMG-CVEARBPZSA-N 1 2 338.371 0.789 20 30 ECEDLO CN(CC1C[NH+](C)C1)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000598163411 439234232 /nfs/dbraw/zinc/23/42/32/439234232.db2.gz ORRGOWAUYZYZGD-UHFFFAOYSA-N 1 2 335.429 0.493 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCCOCC2)cc1F ZINC000489768018 439240942 /nfs/dbraw/zinc/24/09/42/439240942.db2.gz ZNHYWSFBNNKAHY-UHFFFAOYSA-N 1 2 327.381 0.698 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NCC[N@H+]2CCCOCC2)cc1F ZINC000489768018 439240949 /nfs/dbraw/zinc/24/09/49/439240949.db2.gz ZNHYWSFBNNKAHY-UHFFFAOYSA-N 1 2 327.381 0.698 20 30 ECEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(c3cc(C#N)ncn3)CC2)C1 ZINC000527130645 439255969 /nfs/dbraw/zinc/25/59/69/439255969.db2.gz LSINAJBRIWHDHK-HUUCEWRRSA-N 1 2 342.447 0.975 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)cc1 ZINC000581880718 439261006 /nfs/dbraw/zinc/26/10/06/439261006.db2.gz IZLKFKKSNBBSSL-CYBMUJFWSA-N 1 2 331.401 0.940 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](c3nnc[nH]3)C2)cc1 ZINC000581880718 439261012 /nfs/dbraw/zinc/26/10/12/439261012.db2.gz IZLKFKKSNBBSSL-CYBMUJFWSA-N 1 2 331.401 0.940 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCN3CCOc4cccc2c43)CC1 ZINC000490923630 439313278 /nfs/dbraw/zinc/31/32/78/439313278.db2.gz LIDSDPDQFKRWHU-UHFFFAOYSA-N 1 2 340.427 0.483 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2c3ccccc3CS2(=O)=O)CC1 ZINC000490922980 439313456 /nfs/dbraw/zinc/31/34/56/439313456.db2.gz HZDMCAUTRNTQTB-UHFFFAOYSA-N 1 2 333.413 0.114 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2ccnc2[C@@H](O)c2ccco2)CC1 ZINC000491038713 439323447 /nfs/dbraw/zinc/32/34/47/439323447.db2.gz KTQDEOGESAWJGK-INIZCTEOSA-N 1 2 328.372 0.335 20 30 ECEDLO N#CCc1ccc(CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000569360775 439328251 /nfs/dbraw/zinc/32/82/51/439328251.db2.gz QOZBACDGYGCOCO-UHFFFAOYSA-N 1 2 326.400 0.675 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](Cn2c3ccccc3n(C)c2=O)CC1 ZINC000491121503 439334762 /nfs/dbraw/zinc/33/47/62/439334762.db2.gz RFNVKGJMHARCDF-UHFFFAOYSA-N 1 2 326.400 0.759 20 30 ECEDLO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)CC(C)(C)C#N)[C@@H](C(=O)OC)C1 ZINC000598602344 439285215 /nfs/dbraw/zinc/28/52/15/439285215.db2.gz IYGUMVDSWFBATC-JHJVBQTASA-N 1 2 326.393 0.714 20 30 ECEDLO COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@@H](C(=O)OC)C1 ZINC000598602344 439285221 /nfs/dbraw/zinc/28/52/21/439285221.db2.gz IYGUMVDSWFBATC-JHJVBQTASA-N 1 2 326.393 0.714 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\c2cccnc2)CC1 ZINC000490657233 439285645 /nfs/dbraw/zinc/28/56/45/439285645.db2.gz RHIOTICFNICJNC-SREVYHEPSA-N 1 2 326.400 0.379 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\c2cccnc2)CC1 ZINC000490657233 439285651 /nfs/dbraw/zinc/28/56/51/439285651.db2.gz RHIOTICFNICJNC-SREVYHEPSA-N 1 2 326.400 0.379 20 30 ECEDLO C#CCNC(=O)c1ccc(N2CC[NH+](Cc3cnn(C)c3)CC2)nc1 ZINC000490691235 439286725 /nfs/dbraw/zinc/28/67/25/439286725.db2.gz VGAUPHIOXXCREF-UHFFFAOYSA-N 1 2 338.415 0.500 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(C)c2cc(OC)cc(OC)c2)CC1 ZINC000490721596 439291251 /nfs/dbraw/zinc/29/12/51/439291251.db2.gz XLLUQTLYJKVVHJ-UHFFFAOYSA-N 1 2 331.416 0.917 20 30 ECEDLO C#CCNC(=O)[C@H](C)ON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000490778908 439298727 /nfs/dbraw/zinc/29/87/27/439298727.db2.gz OLHKSYORLARABA-AWEZNQCLSA-N 1 2 344.415 0.294 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CC(=O)N(C2CC2)C2CCCC2)CC1 ZINC000491166518 439342039 /nfs/dbraw/zinc/34/20/39/439342039.db2.gz RYGXMDDAKSZEHC-UHFFFAOYSA-N 1 2 346.475 0.287 20 30 ECEDLO C#CCNC(=O)CN1CCN(Cc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000491210543 439350715 /nfs/dbraw/zinc/35/07/15/439350715.db2.gz VTRXDOXVQZYZIT-UHFFFAOYSA-N 1 2 325.416 0.510 20 30 ECEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000528635301 439354606 /nfs/dbraw/zinc/35/46/06/439354606.db2.gz PKEQYRAYIAPYEU-SCRDCRAPSA-N 1 2 337.445 0.572 20 30 ECEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000528635301 439354609 /nfs/dbraw/zinc/35/46/09/439354609.db2.gz PKEQYRAYIAPYEU-SCRDCRAPSA-N 1 2 337.445 0.572 20 30 ECEDLO CCN(CCC#N)C(=O)[C@@H]1OCC(=O)N(CC)[C@H]1c1[nH+]ccn1C ZINC000599140166 439367809 /nfs/dbraw/zinc/36/78/09/439367809.db2.gz YSIVRHLROMBONA-ZIAGYGMSSA-N 1 2 333.392 0.471 20 30 ECEDLO C#CCn1ccc(CN(CC)C(=O)NCC[N@@H+]2CCOC[C@H]2C)n1 ZINC000491396283 439378294 /nfs/dbraw/zinc/37/82/94/439378294.db2.gz XNQDUPBAIHCJSF-OAHLLOKOSA-N 1 2 333.436 0.769 20 30 ECEDLO C#CCn1ccc(CN(CC)C(=O)NCC[N@H+]2CCOC[C@H]2C)n1 ZINC000491396283 439378296 /nfs/dbraw/zinc/37/82/96/439378296.db2.gz XNQDUPBAIHCJSF-OAHLLOKOSA-N 1 2 333.436 0.769 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](Cc2ccc(OC(C)=O)cc2)CC1 ZINC000491486451 439392821 /nfs/dbraw/zinc/39/28/21/439392821.db2.gz WGOSAXRTNSIDSU-UHFFFAOYSA-N 1 2 329.400 0.479 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCSC[C@H]2c2cnn(C)c2)CC1 ZINC000491554478 439406276 /nfs/dbraw/zinc/40/62/76/439406276.db2.gz JKUFLTZBJOKJHX-INIZCTEOSA-N 1 2 347.488 0.287 20 30 ECEDLO C#CC[N@@H+](C)CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000491704616 439430517 /nfs/dbraw/zinc/43/05/17/439430517.db2.gz JIMVIBQIADFBLL-UHFFFAOYSA-N 1 2 349.456 0.781 20 30 ECEDLO C#CC[N@H+](C)CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000491704616 439430521 /nfs/dbraw/zinc/43/05/21/439430521.db2.gz JIMVIBQIADFBLL-UHFFFAOYSA-N 1 2 349.456 0.781 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C(C)(C)C(C)(F)F)CC1 ZINC000491709859 439432582 /nfs/dbraw/zinc/43/25/82/439432582.db2.gz RIICSEUCAWXAIP-UHFFFAOYSA-N 1 2 329.391 0.952 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)C(C)(F)F)CC1 ZINC000491709859 439432587 /nfs/dbraw/zinc/43/25/87/439432587.db2.gz RIICSEUCAWXAIP-UHFFFAOYSA-N 1 2 329.391 0.952 20 30 ECEDLO CCOC[C@H](C(=O)OC)[N@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599334928 439437944 /nfs/dbraw/zinc/43/79/44/439437944.db2.gz KQEFMINZEZTYTR-UONOGXRCSA-N 1 2 328.409 0.568 20 30 ECEDLO CCOC[C@H](C(=O)OC)[N@@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599334928 439437948 /nfs/dbraw/zinc/43/79/48/439437948.db2.gz KQEFMINZEZTYTR-UONOGXRCSA-N 1 2 328.409 0.568 20 30 ECEDLO N#Cc1ccc([C@@H](C(N)=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000570694653 439442842 /nfs/dbraw/zinc/44/28/42/439442842.db2.gz LMZZFMAKEIVGTE-SJORKVTESA-N 1 2 328.416 0.881 20 30 ECEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@@H](N3CCOCC3)C2)cc1 ZINC000570694653 439442846 /nfs/dbraw/zinc/44/28/46/439442846.db2.gz LMZZFMAKEIVGTE-SJORKVTESA-N 1 2 328.416 0.881 20 30 ECEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@@H](N3CCOCC3)C2)cc1 ZINC000570694653 439442851 /nfs/dbraw/zinc/44/28/51/439442851.db2.gz LMZZFMAKEIVGTE-SJORKVTESA-N 1 2 328.416 0.881 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC000599354467 439445407 /nfs/dbraw/zinc/44/54/07/439445407.db2.gz WRSPMYVVEGNZTL-XHSDSOJGSA-N 1 2 348.399 0.950 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1C[C@H](O)COc1ccccc1C#N ZINC000599354467 439445412 /nfs/dbraw/zinc/44/54/12/439445412.db2.gz WRSPMYVVEGNZTL-XHSDSOJGSA-N 1 2 348.399 0.950 20 30 ECEDLO C#CCN1CCN(C(=O)C[NH2+]C(C)(C)c2nnc3n2CCCC3)CC1 ZINC000491565643 439408855 /nfs/dbraw/zinc/40/88/55/439408855.db2.gz BBPIGFRBDRVODF-UHFFFAOYSA-N 1 2 344.463 0.217 20 30 ECEDLO C[N@@H+]1CCN(C(=O)CC2(C#N)CC2)C[C@@H]1CNC(=O)CC1(C#N)CC1 ZINC000593748218 439460751 /nfs/dbraw/zinc/46/07/51/439460751.db2.gz JKNPVWMWDOUILX-AWEZNQCLSA-N 1 2 343.431 0.633 20 30 ECEDLO C[N@H+]1CCN(C(=O)CC2(C#N)CC2)C[C@@H]1CNC(=O)CC1(C#N)CC1 ZINC000593748218 439460755 /nfs/dbraw/zinc/46/07/55/439460755.db2.gz JKNPVWMWDOUILX-AWEZNQCLSA-N 1 2 343.431 0.633 20 30 ECEDLO N#Cc1cncc(S(=O)(=O)N2CCC([NH+]3CCOCC3)CC2)c1 ZINC000599501155 439492599 /nfs/dbraw/zinc/49/25/99/439492599.db2.gz XCOCDKHRZUFKPO-UHFFFAOYSA-N 1 2 336.417 0.439 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CCC([NH+]3CCOCC3)CC2)cn1 ZINC000599499596 439493034 /nfs/dbraw/zinc/49/30/34/439493034.db2.gz JLDBSBBBEGETFJ-UHFFFAOYSA-N 1 2 336.417 0.439 20 30 ECEDLO C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)N1C(=O)NC2(CCCC2)C1=O ZINC000571885534 439538552 /nfs/dbraw/zinc/53/85/52/439538552.db2.gz QVWFJFWNZLZKAQ-XHDPSFHLSA-N 1 2 335.408 0.200 20 30 ECEDLO C[N@H+](CCC#N)C[C@@H](O)Cn1cnc2sc([N+](=O)[O-])cc2c1=O ZINC000572039556 439552118 /nfs/dbraw/zinc/55/21/18/439552118.db2.gz QFHMSQURGGYJBV-SECBINFHSA-N 1 2 337.361 0.573 20 30 ECEDLO C[N@@H+](CCC#N)C[C@@H](O)Cn1cnc2sc([N+](=O)[O-])cc2c1=O ZINC000572039556 439552124 /nfs/dbraw/zinc/55/21/24/439552124.db2.gz QFHMSQURGGYJBV-SECBINFHSA-N 1 2 337.361 0.573 20 30 ECEDLO CC1CC(C#N)(C(=O)N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1 ZINC000542174458 439555673 /nfs/dbraw/zinc/55/56/73/439555673.db2.gz NETYKIDXLPLGIV-JZLYGMAVSA-N 1 2 329.404 0.967 20 30 ECEDLO Cc1noc([C@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)n1 ZINC000542580126 439558220 /nfs/dbraw/zinc/55/82/20/439558220.db2.gz JTYCOLKCJHOODU-GXTWGEPZSA-N 1 2 334.424 0.721 20 30 ECEDLO Cc1cc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)ncc1C#N ZINC000572958631 439618662 /nfs/dbraw/zinc/61/86/62/439618662.db2.gz YRBXNZLDMWQYQK-UHFFFAOYSA-N 1 2 340.387 1.043 20 30 ECEDLO C[C@@](O)(CNS(=O)(=O)CC1(C#N)CCCC1)C[NH+]1CCOCC1 ZINC000544714997 439565960 /nfs/dbraw/zinc/56/59/60/439565960.db2.gz SOOQOQATSPIVMH-CQSZACIVSA-N 1 2 345.465 0.073 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471279 439566474 /nfs/dbraw/zinc/56/64/74/439566474.db2.gz AEZBKVVGNOFQMU-XDQVBPFNSA-N 1 2 332.470 0.410 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471279 439566477 /nfs/dbraw/zinc/56/64/77/439566477.db2.gz AEZBKVVGNOFQMU-XDQVBPFNSA-N 1 2 332.470 0.410 20 30 ECEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1cccc(C#N)n1 ZINC000573367778 439643163 /nfs/dbraw/zinc/64/31/63/439643163.db2.gz PBOMBFLWHVYYRZ-GXTWGEPZSA-N 1 2 343.387 0.213 20 30 ECEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000600422629 439655901 /nfs/dbraw/zinc/65/59/01/439655901.db2.gz WJYZQFPISUPRBQ-HNNXBMFYSA-N 1 2 340.387 0.387 20 30 ECEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000600422629 439655904 /nfs/dbraw/zinc/65/59/04/439655904.db2.gz WJYZQFPISUPRBQ-HNNXBMFYSA-N 1 2 340.387 0.387 20 30 ECEDLO COCC[NH+]1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000586859544 439664682 /nfs/dbraw/zinc/66/46/82/439664682.db2.gz ASXBVXWPYXQGCO-UHFFFAOYSA-N 1 2 348.378 0.104 20 30 ECEDLO N#Cc1cccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)n1 ZINC000600682151 439689038 /nfs/dbraw/zinc/68/90/38/439689038.db2.gz LMMZQUZUJLSSKY-MRXNPFEDSA-N 1 2 337.383 0.979 20 30 ECEDLO N#Cc1cccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)n1 ZINC000600682151 439689043 /nfs/dbraw/zinc/68/90/43/439689043.db2.gz LMMZQUZUJLSSKY-MRXNPFEDSA-N 1 2 337.383 0.979 20 30 ECEDLO CC[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(C#N)cc1C ZINC000614396112 439775603 /nfs/dbraw/zinc/77/56/03/439775603.db2.gz WGZHHGFNVNYFAB-INIZCTEOSA-N 1 2 349.456 0.992 20 30 ECEDLO CC[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(C#N)cc1C ZINC000614396112 439775604 /nfs/dbraw/zinc/77/56/04/439775604.db2.gz WGZHHGFNVNYFAB-INIZCTEOSA-N 1 2 349.456 0.992 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N2CC[C@](F)(C#N)C2)C1=O ZINC000615548755 439802519 /nfs/dbraw/zinc/80/25/19/439802519.db2.gz GFLYHZWCEXZKLQ-WBMJQRKESA-N 1 2 348.382 0.558 20 30 ECEDLO Cc1nn(C)c(N2CCN(c3cc(-n4cc[nH+]c4)ncn3)CC2)c1C#N ZINC000615946586 439809531 /nfs/dbraw/zinc/80/95/31/439809531.db2.gz HPBIHMVIUGPQCS-UHFFFAOYSA-N 1 2 349.402 0.903 20 30 ECEDLO C=CCN(C)C(=O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000632383019 440200162 /nfs/dbraw/zinc/20/01/62/440200162.db2.gz QNDGONZTTXIDCJ-UHFFFAOYSA-N 1 2 334.445 0.895 20 30 ECEDLO C=CCOCCCC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000628578610 440508963 /nfs/dbraw/zinc/50/89/63/440508963.db2.gz OIWPAONSERECEQ-QGZVFWFLSA-N 1 2 326.437 0.701 20 30 ECEDLO C=CCOCCCC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000628578610 440508967 /nfs/dbraw/zinc/50/89/67/440508967.db2.gz OIWPAONSERECEQ-QGZVFWFLSA-N 1 2 326.437 0.701 20 30 ECEDLO CC#CC[C@H](CO)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000645114454 440750750 /nfs/dbraw/zinc/75/07/50/440750750.db2.gz FZRHXRSBEOPXJZ-MSOLQXFVSA-N 1 2 345.443 0.961 20 30 ECEDLO CC#CC[C@H](CO)NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000645114454 440750756 /nfs/dbraw/zinc/75/07/56/440750756.db2.gz FZRHXRSBEOPXJZ-MSOLQXFVSA-N 1 2 345.443 0.961 20 30 ECEDLO C=CCOCCCNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000661795595 440917812 /nfs/dbraw/zinc/91/78/12/440917812.db2.gz DMEHDKIAYHFOBM-CQSZACIVSA-N 1 2 338.452 0.573 20 30 ECEDLO C=CCn1cc(C(=O)N(CCn2cc[nH+]c2)Cc2cnn(C)c2)nn1 ZINC000652014359 440990569 /nfs/dbraw/zinc/99/05/69/440990569.db2.gz QVYCUQRJZKUTPF-UHFFFAOYSA-N 1 2 340.391 0.737 20 30 ECEDLO CS(=O)(=O)C1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000324292575 320720672 /nfs/dbraw/zinc/72/06/72/320720672.db2.gz JKWXIZXAHXGKEA-CQSZACIVSA-N 1 2 338.429 0.807 20 30 ECEDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccc(C#N)cn1)C2 ZINC000560489428 322244647 /nfs/dbraw/zinc/24/46/47/322244647.db2.gz TXZLLVJYVOBMPF-CYBMUJFWSA-N 1 2 325.372 0.738 20 30 ECEDLO CCc1nc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)no1 ZINC000566497941 322539138 /nfs/dbraw/zinc/53/91/38/322539138.db2.gz PHFSOXWEWFRMCU-UHFFFAOYSA-N 1 2 329.360 0.546 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CON=C(N)Cc2csc(C)n2)CC1 ZINC000490778771 517303185 /nfs/dbraw/zinc/30/31/85/517303185.db2.gz KTMDZGSQQQMDJQ-UHFFFAOYSA-N 1 2 335.433 0.270 20 30 ECEDLO C[C@H](CNC(=O)N1CCC(c2nncn2C)CC1)[NH+]1CCOCC1 ZINC000328692995 546004454 /nfs/dbraw/zinc/00/44/54/546004454.db2.gz CJWNOASNOPGULR-CYBMUJFWSA-N 1 2 336.440 0.629 20 30 ECEDLO Cc1c(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)cnn1C ZINC000328938434 546009630 /nfs/dbraw/zinc/00/96/30/546009630.db2.gz RNMYSWDYSMPKIF-UHFFFAOYSA-N 1 2 333.436 0.977 20 30 ECEDLO Cn1ccc(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)cc1=O ZINC000328934372 546009715 /nfs/dbraw/zinc/00/97/15/546009715.db2.gz PZCHRBWZQMQVFS-UHFFFAOYSA-N 1 2 346.431 0.634 20 30 ECEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CCO[C@H]2C)CC1 ZINC000328921194 546010111 /nfs/dbraw/zinc/01/01/11/546010111.db2.gz MACRSCLSTDLKGV-ILXRZTDVSA-N 1 2 338.452 0.706 20 30 ECEDLO CN1CC[N@H+](C)[C@H](CNC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C1 ZINC000329388706 546022491 /nfs/dbraw/zinc/02/24/91/546022491.db2.gz UDQWKUQNPDVEGX-MCIONIFRSA-N 1 2 336.436 0.364 20 30 ECEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C1 ZINC000329388706 546022497 /nfs/dbraw/zinc/02/24/97/546022497.db2.gz UDQWKUQNPDVEGX-MCIONIFRSA-N 1 2 336.436 0.364 20 30 ECEDLO CC(=O)N1CC[NH+](CCNC(=O)CN2C(=O)NC(=O)C2(C)C)CC1 ZINC000329750375 546033845 /nfs/dbraw/zinc/03/38/45/546033845.db2.gz IBTYGEVXXSYJOT-UHFFFAOYSA-N 1 2 339.396 0.278 20 30 ECEDLO N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329750454 546033857 /nfs/dbraw/zinc/03/38/57/546033857.db2.gz UZZNCGCEOBKVSW-KBPBESRZSA-N 1 2 332.408 1.233 20 30 ECEDLO C[C@H](CNC(=O)N[C@H]1CCOC2(CCOCC2)C1)[NH+]1CCOCC1 ZINC000330270656 546041917 /nfs/dbraw/zinc/04/19/17/546041917.db2.gz UOXWXJJWFYUFRP-CABCVRRESA-N 1 2 341.452 0.939 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2c(C)c(C)nc3ncnn32)CC1 ZINC000605433044 546301185 /nfs/dbraw/zinc/30/11/85/546301185.db2.gz HNULMIAOOJQWSS-UHFFFAOYSA-N 1 2 329.408 0.165 20 30 ECEDLO C=C[C@H]([NH2+]C[C@H]1CCn2ncc(C(=O)NC(C)C)c2C1)C(=O)OC ZINC000619703678 546359415 /nfs/dbraw/zinc/35/94/15/546359415.db2.gz QQJRMHBNGXOPAM-JSGCOSHPSA-N 1 2 334.420 0.901 20 30 ECEDLO C=C[C@@H](C(=O)OC)N1CC[NH+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000619716498 546363761 /nfs/dbraw/zinc/36/37/61/546363761.db2.gz MJJAQFAHNRDCGX-XHSDSOJGSA-N 1 2 337.464 0.836 20 30 ECEDLO C=C[C@@](C)(O)C(=O)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000619942463 546387338 /nfs/dbraw/zinc/38/73/38/546387338.db2.gz RTBPUSHUVXIOIL-QZTJIDSGSA-N 1 2 334.416 0.303 20 30 ECEDLO C=C[C@@](C)(O)C(=O)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000619942463 546387341 /nfs/dbraw/zinc/38/73/41/546387341.db2.gz RTBPUSHUVXIOIL-QZTJIDSGSA-N 1 2 334.416 0.303 20 30 ECEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000620312968 546423233 /nfs/dbraw/zinc/42/32/33/546423233.db2.gz RYDXITLWDZTHOP-ZACQAIPSSA-N 1 2 347.459 0.877 20 30 ECEDLO CC#CC[C@@H](CO)NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000645203242 547413159 /nfs/dbraw/zinc/41/31/59/547413159.db2.gz JWAKPJCDPGOTDL-GOEBONIOSA-N 1 2 341.477 0.268 20 30 ECEDLO C=C[C@H](O)C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000668483986 547664899 /nfs/dbraw/zinc/66/48/99/547664899.db2.gz ZQNHXPYYFOBRTA-HNNXBMFYSA-N 1 2 335.379 0.247 20 30 ECEDLO C=CCn1c(COC)nnc1N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000669810316 547937380 /nfs/dbraw/zinc/93/73/80/547937380.db2.gz MPDNCGBVRGTHGH-UHFFFAOYSA-N 1 2 334.424 0.011 20 30 ECEDLO C=CCCOCCNC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673281582 548475201 /nfs/dbraw/zinc/47/52/01/548475201.db2.gz JLXYEZIGTAYDEG-INIZCTEOSA-N 1 2 331.416 0.998 20 30 ECEDLO C=CCCOCCNC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000673281582 548475206 /nfs/dbraw/zinc/47/52/06/548475206.db2.gz JLXYEZIGTAYDEG-INIZCTEOSA-N 1 2 331.416 0.998 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCN(C(=O)CC(C)(C)C)CC2)CC1 ZINC000748814554 579329289 /nfs/dbraw/zinc/32/92/89/579329289.db2.gz BJQNKFJZKCIIQX-UHFFFAOYSA-N 1 2 348.491 0.344 20 30 ECEDLO N#Cc1cccn(CN2CC[NH+](CC(=O)N3CCCCC3)CC2)c1=O ZINC000750608171 579355520 /nfs/dbraw/zinc/35/55/20/579355520.db2.gz QEUORIZDTOXTBW-UHFFFAOYSA-N 1 2 343.431 0.308 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 ZINC000730293913 578304805 /nfs/dbraw/zinc/30/48/05/578304805.db2.gz TXTUHBYECQGHNL-AWEZNQCLSA-N 1 2 329.375 0.956 20 30 ECEDLO N#CCCNC(=O)COC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000731248241 578311973 /nfs/dbraw/zinc/31/19/73/578311973.db2.gz MIXNPFJLVCEOEH-KRWDZBQOSA-N 1 2 345.399 0.757 20 30 ECEDLO COc1c(C)c[nH+]c(Cn2c(N)nc(-c3nn[nH]n3)c2C#N)c1C ZINC000737026301 578474307 /nfs/dbraw/zinc/47/43/07/578474307.db2.gz PXKLSMMUQRANAC-UHFFFAOYSA-N 1 2 325.336 0.586 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=C1CCCc2cccnc21 ZINC000799105595 578658067 /nfs/dbraw/zinc/65/80/67/578658067.db2.gz CXKHRSIDQPDXHJ-UHFFFAOYSA-N 1 2 333.461 0.918 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)CN2C[C@@](C)(C(=O)OCC)CC2=O)C1=O ZINC000799144016 578659530 /nfs/dbraw/zinc/65/95/30/578659530.db2.gz WFNJLZAWHQRKFW-DYVFJYSZSA-N 1 2 337.420 0.464 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)CN2C[C@@](C)(C(=O)OCC)CC2=O)C1=O ZINC000799144016 578659532 /nfs/dbraw/zinc/65/95/32/578659532.db2.gz WFNJLZAWHQRKFW-DYVFJYSZSA-N 1 2 337.420 0.464 20 30 ECEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000799160467 578660087 /nfs/dbraw/zinc/66/00/87/578660087.db2.gz SWVCNCNNUPVIDN-GJZGRUSLSA-N 1 2 330.363 0.813 20 30 ECEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000780044239 578684809 /nfs/dbraw/zinc/68/48/09/578684809.db2.gz KGYOTHONMFFUMT-LBPRGKRZSA-N 1 2 327.344 0.929 20 30 ECEDLO Cn1cc[nH+]c1CN1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000780931114 578702867 /nfs/dbraw/zinc/70/28/67/578702867.db2.gz HRZBSKOJRVBGRY-KRWDZBQOSA-N 1 2 339.399 0.670 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)CCO1 ZINC000781370156 578708438 /nfs/dbraw/zinc/70/84/38/578708438.db2.gz GWNJTASWMRFQKF-GFCCVEGCSA-N 1 2 349.439 0.158 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)CCO1 ZINC000781370156 578708439 /nfs/dbraw/zinc/70/84/39/578708439.db2.gz GWNJTASWMRFQKF-GFCCVEGCSA-N 1 2 349.439 0.158 20 30 ECEDLO CC(C)NS(=O)(=O)c1ccc(N[NH+]=Cc2cnc(N)nc2)nc1 ZINC000781590130 578712001 /nfs/dbraw/zinc/71/20/01/578712001.db2.gz WALRSLJDAWJPPT-UHFFFAOYSA-N 1 2 335.393 0.587 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2c(C)nn(COC)c2C)CC1 ZINC000788599275 578840568 /nfs/dbraw/zinc/84/05/68/578840568.db2.gz RQNUOYOTEYRELK-UHFFFAOYSA-N 1 2 340.449 0.433 20 30 ECEDLO N#CCn1c(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)nc2ccccc2c1=O ZINC000789355620 578852620 /nfs/dbraw/zinc/85/26/20/578852620.db2.gz UOXJRPMSOVFSMT-SFHVURJKSA-N 1 2 337.383 0.632 20 30 ECEDLO N#CCn1c(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)nc2ccccc2c1=O ZINC000789355620 578852622 /nfs/dbraw/zinc/85/26/22/578852622.db2.gz UOXJRPMSOVFSMT-SFHVURJKSA-N 1 2 337.383 0.632 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000765525330 579068510 /nfs/dbraw/zinc/06/85/10/579068510.db2.gz FEESOURRXPWFNW-CQSZACIVSA-N 1 2 337.420 0.400 20 30 ECEDLO NC(=[NH+]OCC(=O)N1CCOC[C@H]1C1CC1)c1ccc2c(c1)CCO2 ZINC000765544711 579068949 /nfs/dbraw/zinc/06/89/49/579068949.db2.gz ZCNDSWSPOCBVMC-HNNXBMFYSA-N 1 2 345.399 0.896 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000772060973 579199829 /nfs/dbraw/zinc/19/98/29/579199829.db2.gz LENDKELJKVWXAX-WDEREUQCSA-N 1 2 329.422 0.367 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000772060973 579199831 /nfs/dbraw/zinc/19/98/31/579199831.db2.gz LENDKELJKVWXAX-WDEREUQCSA-N 1 2 329.422 0.367 20 30 ECEDLO CCOC(=O)CON=C(C(=O)N[C@H](CC)c1[nH]cc[nH+]1)c1cc[nH]n1 ZINC000772559102 579210474 /nfs/dbraw/zinc/21/04/74/579210474.db2.gz CLNZNXBTXTYWBF-SNVBAGLBSA-N 1 2 348.363 0.684 20 30 ECEDLO N#Cc1ccc(C=NNC(=S)NCC[NH+]2CCOCC2)c(F)c1 ZINC000772832235 579215459 /nfs/dbraw/zinc/21/54/59/579215459.db2.gz BNONFSRIPQKXFY-UHFFFAOYSA-N 1 2 335.408 0.828 20 30 ECEDLO C#C[C@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1CCCO1 ZINC000775627577 579269129 /nfs/dbraw/zinc/26/91/29/579269129.db2.gz UUOFYGAUCPWOEV-LSDHHAIUSA-N 1 2 347.419 0.518 20 30 ECEDLO C#C[C@H](NC(=O)N1CCN(Cc2[nH+]ccn2C)CC1)[C@@H]1CCCO1 ZINC000776227751 579278111 /nfs/dbraw/zinc/27/81/11/579278111.db2.gz LODPXJLQVZNRFZ-GJZGRUSLSA-N 1 2 331.420 0.428 20 30 ECEDLO CC(=O)N1CC[NH+](CCNC(=O)Cc2ccccc2CC#N)CC1 ZINC000777303993 579296362 /nfs/dbraw/zinc/29/63/62/579296362.db2.gz JSZRTYSUVNWKRH-UHFFFAOYSA-N 1 2 328.416 0.575 20 30 ECEDLO CC(C)[C@@H](CNS(=O)(=O)CC(C)(C)C#N)[NH+]1CCN(C)CC1 ZINC000777820157 579303135 /nfs/dbraw/zinc/30/31/35/579303135.db2.gz YHQMCTSLCVZKKK-CQSZACIVSA-N 1 2 330.498 0.728 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(=O)OC)cc1 ZINC000779563910 579317958 /nfs/dbraw/zinc/31/79/58/579317958.db2.gz JPKWRIQMPDYHDZ-HNNXBMFYSA-N 1 2 327.340 0.867 20 30 ECEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)c1cnc(C)s1 ZINC000761249654 579525642 /nfs/dbraw/zinc/52/56/42/579525642.db2.gz CLKNPSHGLIZJBZ-UHFFFAOYSA-N 1 2 327.479 0.972 20 30 ECEDLO CCc1ccccc1N1CC(=O)C(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)=N1 ZINC000834480845 588902120 /nfs/dbraw/zinc/90/21/20/588902120.db2.gz XAQSHEQHXRBIBF-OLZOCXBDSA-N 1 2 325.372 0.982 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000102491084 588932151 /nfs/dbraw/zinc/93/21/51/588932151.db2.gz HDFRUAKAKJRKKM-ZDUSSCGKSA-N 1 2 332.404 0.017 20 30 ECEDLO C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000867262054 588988235 /nfs/dbraw/zinc/98/82/35/588988235.db2.gz WCYIOQCXSNGXAN-IRXDYDNUSA-N 1 2 336.457 0.871 20 30 ECEDLO C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000867262054 588988236 /nfs/dbraw/zinc/98/82/36/588988236.db2.gz WCYIOQCXSNGXAN-IRXDYDNUSA-N 1 2 336.457 0.871 20 30 ECEDLO C#CC1(O)CN(C(=O)[C@@H]2CCC(=O)N(CCC)[C@H]2c2c[nH+]cn2C)C1 ZINC000890524446 586051898 /nfs/dbraw/zinc/05/18/98/586051898.db2.gz BJCUZIWNFONHIJ-CZUORRHYSA-N 1 2 344.415 0.316 20 30 ECEDLO C=CC[C@H]1CCN1C(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C ZINC000890548555 586053816 /nfs/dbraw/zinc/05/38/16/586053816.db2.gz UHXRPRFDYBNCBE-QEJZJMRPSA-N 1 2 332.404 0.886 20 30 ECEDLO C#C[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000890647289 586056872 /nfs/dbraw/zinc/05/68/72/586056872.db2.gz CXIGTDOWOYKCPP-HOTGVXAUSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC1(O)CN(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000891639266 586183920 /nfs/dbraw/zinc/18/39/20/586183920.db2.gz GKYYCYMZXZUBKR-MRXNPFEDSA-N 1 2 329.400 0.449 20 30 ECEDLO CC(=O)N1CC[NH+](CCNC(=O)c2[nH]c3ccccc3c2C#N)CC1 ZINC000895724656 586200887 /nfs/dbraw/zinc/20/08/87/586200887.db2.gz UPFRCTASBQFVPM-UHFFFAOYSA-N 1 2 339.399 0.933 20 30 ECEDLO O=C1C[C@@H]([NH+]2CCC3(CC2)CC(=O)C=CO3)C(=O)N1c1cnccn1 ZINC000899251545 586479192 /nfs/dbraw/zinc/47/91/92/586479192.db2.gz AZPGXRJCZBIWNZ-CYBMUJFWSA-N 1 2 342.355 0.446 20 30 ECEDLO C#CC[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000843241784 589054939 /nfs/dbraw/zinc/05/49/39/589054939.db2.gz GMBZENLFUHKKOX-DLBZAZTESA-N 1 2 347.459 0.572 20 30 ECEDLO CON1CC[C@@H](ON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)C1=O ZINC000902225674 586725989 /nfs/dbraw/zinc/72/59/89/586725989.db2.gz HMLCHCKQTRLNDT-OAHLLOKOSA-N 1 2 348.403 0.318 20 30 ECEDLO CC(=O)NCCCCCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000902421280 586736663 /nfs/dbraw/zinc/73/66/63/586736663.db2.gz YZDBLGNYIJYOQK-UHFFFAOYSA-N 1 2 346.431 0.859 20 30 ECEDLO N#Cc1cccn(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1=O ZINC000758186863 586896256 /nfs/dbraw/zinc/89/62/56/586896256.db2.gz PVDIAKJGCNNUGQ-HNNXBMFYSA-N 1 2 330.388 0.248 20 30 ECEDLO N#Cc1cccn(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1=O ZINC000758186863 586896257 /nfs/dbraw/zinc/89/62/57/586896257.db2.gz PVDIAKJGCNNUGQ-HNNXBMFYSA-N 1 2 330.388 0.248 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C[C@@H](O)C[C@]3(O)CCOC3)CC2)cc1 ZINC000905899806 586921017 /nfs/dbraw/zinc/92/10/17/586921017.db2.gz ZCAORKGXFJTTER-RBUKOAKNSA-N 1 2 345.443 0.578 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2c(C)nn(C)c2Br)CC1 ZINC000801089666 586981368 /nfs/dbraw/zinc/98/13/68/586981368.db2.gz PJUJNZMAFOQICA-UHFFFAOYSA-N 1 2 325.210 0.882 20 30 ECEDLO CCCCNC(=O)NC(=O)C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000801553073 586998953 /nfs/dbraw/zinc/99/89/53/586998953.db2.gz HSXBFMQJOPODRU-UHFFFAOYSA-N 1 2 344.419 0.701 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)NCc1[nH+]cc(C)c(OC)c1C)[C@@H]1CCCO1 ZINC000803670007 587066296 /nfs/dbraw/zinc/06/62/96/587066296.db2.gz IMCUBUCDWCYGCD-HIFRSBDPSA-N 1 2 345.399 0.620 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)CN2C(=O)[C@]3(CCCO3)[C@H]2C2CC2)C1=O ZINC000840065252 587101487 /nfs/dbraw/zinc/10/14/87/587101487.db2.gz QVSADCQZLPLLEG-DAYGRLMNSA-N 1 2 333.432 0.833 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)CN2C(=O)[C@]3(CCCO3)[C@H]2C2CC2)C1=O ZINC000840065252 587101489 /nfs/dbraw/zinc/10/14/89/587101489.db2.gz QVSADCQZLPLLEG-DAYGRLMNSA-N 1 2 333.432 0.833 20 30 ECEDLO CC[NH+]1CCN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)CC1 ZINC000809501089 587178710 /nfs/dbraw/zinc/17/87/10/587178710.db2.gz CYVQIIABYLYDSN-UHFFFAOYSA-N 1 2 330.388 0.347 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2cncc(C(F)(F)F)c2)CC1 ZINC000812824957 587243581 /nfs/dbraw/zinc/24/35/81/587243581.db2.gz URRUFTHMBFHTNM-UHFFFAOYSA-N 1 2 340.349 0.967 20 30 ECEDLO C=CCCCS(=O)(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000813665012 587259201 /nfs/dbraw/zinc/25/92/01/587259201.db2.gz BIMFZQHBHMVPDD-UHFFFAOYSA-N 1 2 338.495 0.381 20 30 ECEDLO CCC(CC)[C@H](C(=O)N[C@H]1CCCN(O)C1=O)[NH+]1CCOCC1 ZINC000816757565 587324149 /nfs/dbraw/zinc/32/41/49/587324149.db2.gz VPYQDBUPKJUXQN-UONOGXRCSA-N 1 2 327.425 0.620 20 30 ECEDLO O=C(N[C@@H]1CCCN(O)C1=O)c1ccccc1C[NH+]1CCOCC1 ZINC000816758747 587324632 /nfs/dbraw/zinc/32/46/32/587324632.db2.gz WRDOCSWXNPGNDQ-OAHLLOKOSA-N 1 2 333.388 0.629 20 30 ECEDLO C=CCOc1ccc(CC(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1 ZINC000823097158 587702000 /nfs/dbraw/zinc/70/20/00/587702000.db2.gz RKMQLLSUEBAYKW-UHFFFAOYSA-N 1 2 331.416 0.814 20 30 ECEDLO C=CCOc1ccc(CC(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1 ZINC000823097158 587702002 /nfs/dbraw/zinc/70/20/02/587702002.db2.gz RKMQLLSUEBAYKW-UHFFFAOYSA-N 1 2 331.416 0.814 20 30 ECEDLO C#CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000829769680 588340674 /nfs/dbraw/zinc/34/06/74/588340674.db2.gz ZGPWLUALGNEQOS-RRFJBIMHSA-N 1 2 326.462 0.756 20 30 ECEDLO C#CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000829769680 588340675 /nfs/dbraw/zinc/34/06/75/588340675.db2.gz ZGPWLUALGNEQOS-RRFJBIMHSA-N 1 2 326.462 0.756 20 30 ECEDLO C#CCSCCNC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000845003104 589127928 /nfs/dbraw/zinc/12/79/28/589127928.db2.gz QGUWEHCRNYBTOF-UHFFFAOYSA-N 1 2 329.466 0.343 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)[C@H](C)CCC)CC1 ZINC000845861594 589173313 /nfs/dbraw/zinc/17/33/13/589173313.db2.gz BHDYOUDJNDCOAV-CQSZACIVSA-N 1 2 329.466 0.262 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)[C@H](C)CCC)CC1 ZINC000845861594 589173314 /nfs/dbraw/zinc/17/33/14/589173314.db2.gz BHDYOUDJNDCOAV-CQSZACIVSA-N 1 2 329.466 0.262 20 30 ECEDLO N#Cc1c(F)cccc1S(=O)(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000846005348 589181198 /nfs/dbraw/zinc/18/11/98/589181198.db2.gz FVPKHFDOFMYSNW-LLVKDONJSA-N 1 2 325.365 0.137 20 30 ECEDLO N#Cc1c(F)cccc1S(=O)(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000846005348 589181199 /nfs/dbraw/zinc/18/11/99/589181199.db2.gz FVPKHFDOFMYSNW-LLVKDONJSA-N 1 2 325.365 0.137 20 30 ECEDLO COCCOCC[NH+]1CCN(C(=O)COc2cccc(C#N)c2)CC1 ZINC000846622450 589214691 /nfs/dbraw/zinc/21/46/91/589214691.db2.gz VZZPTVWVILJAFG-UHFFFAOYSA-N 1 2 347.415 0.744 20 30 ECEDLO C#CCCN(CCOC)C(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000850711079 589381213 /nfs/dbraw/zinc/38/12/13/589381213.db2.gz AHZFSXYTVFKJIL-JKSUJKDBSA-N 1 2 346.431 0.791 20 30 ECEDLO C#C[C@](C)(CC)[NH2+]Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1 ZINC000852099881 589443324 /nfs/dbraw/zinc/44/33/24/589443324.db2.gz QVGGSXYNPROLGZ-OAHLLOKOSA-N 1 2 333.417 0.957 20 30 ECEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000853606022 589551559 /nfs/dbraw/zinc/55/15/59/589551559.db2.gz PGWRVPFYIINPKI-AWEZNQCLSA-N 1 2 339.436 0.694 20 30 ECEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000853606022 589551560 /nfs/dbraw/zinc/55/15/60/589551560.db2.gz PGWRVPFYIINPKI-AWEZNQCLSA-N 1 2 339.436 0.694 20 30 ECEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1ccc(S(N)(=O)=O)cc1C#N ZINC000853798849 589559642 /nfs/dbraw/zinc/55/96/42/589559642.db2.gz JAVLOUUGELRFMH-NEPJUHHUSA-N 1 2 338.433 0.727 20 30 ECEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1ccc(S(N)(=O)=O)cc1C#N ZINC000853798849 589559644 /nfs/dbraw/zinc/55/96/44/589559644.db2.gz JAVLOUUGELRFMH-NEPJUHHUSA-N 1 2 338.433 0.727 20 30 ECEDLO Cc1ccccc1CNC(=O)CON=C(N)C[NH+]1CCSCC1 ZINC000136074623 589631064 /nfs/dbraw/zinc/63/10/64/589631064.db2.gz RNGKZZSSCKJRCD-UHFFFAOYSA-N 1 2 336.461 0.949 20 30 ECEDLO N#Cc1c(F)cccc1S(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000113769087 589648306 /nfs/dbraw/zinc/64/83/06/589648306.db2.gz NBGJONFLAQNSJI-UHFFFAOYSA-N 1 2 327.381 0.386 20 30 ECEDLO N#Cc1c(F)cccc1S(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000113769087 589648307 /nfs/dbraw/zinc/64/83/07/589648307.db2.gz NBGJONFLAQNSJI-UHFFFAOYSA-N 1 2 327.381 0.386 20 30 ECEDLO COc1cc(C#N)ccc1OS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000866402965 589738747 /nfs/dbraw/zinc/73/87/47/589738747.db2.gz FTUDJWGJNNJFKM-LBPRGKRZSA-N 1 2 326.374 0.606 20 30 ECEDLO COc1cc(C#N)ccc1OS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000866402965 589738749 /nfs/dbraw/zinc/73/87/49/589738749.db2.gz FTUDJWGJNNJFKM-LBPRGKRZSA-N 1 2 326.374 0.606 20 30 ECEDLO C[C@@H]([NH2+]C(c1ccnn1C)c1ccnn1C)C(=O)N(C)CCC#N ZINC000860077392 589742213 /nfs/dbraw/zinc/74/22/13/589742213.db2.gz QEUQYPOEMPOPEY-GFCCVEGCSA-N 1 2 329.408 0.593 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+]C(c1ccnn1C)c1ccnn1C ZINC000860079679 589742638 /nfs/dbraw/zinc/74/26/38/589742638.db2.gz QKAPWYJIKRLQNS-ZDUSSCGKSA-N 1 2 343.435 0.841 20 30 ECEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@]2(C#N)CCCOC2)CC1 ZINC000866490915 589746191 /nfs/dbraw/zinc/74/61/91/589746191.db2.gz XZRSVPGTWUJVNM-QAPCUYQASA-N 1 2 348.447 0.462 20 30 ECEDLO C#CC[C@H](COC)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000860655958 589790575 /nfs/dbraw/zinc/79/05/75/589790575.db2.gz BTRWYDMFHJWPNA-CQSZACIVSA-N 1 2 335.408 0.375 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cn(CC)nc2C)CC1 ZINC000859224591 589809433 /nfs/dbraw/zinc/80/94/33/589809433.db2.gz DXFIPUUTWREVDP-UHFFFAOYSA-N 1 2 331.420 0.109 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cn(CC)nc2C)CC1 ZINC000859224591 589809437 /nfs/dbraw/zinc/80/94/37/589809437.db2.gz DXFIPUUTWREVDP-UHFFFAOYSA-N 1 2 331.420 0.109 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2cccc(C(=O)OCC)n2)CC1 ZINC000862239063 589934352 /nfs/dbraw/zinc/93/43/52/589934352.db2.gz UDFKRJFNAIJUOG-UHFFFAOYSA-N 1 2 344.415 0.125 20 30 ECEDLO C[C@H](C(=O)N1CCN(c2ccc(C#N)cc2)CC1)[NH+]1CCN(C)CC1 ZINC000870094816 590000276 /nfs/dbraw/zinc/00/02/76/590000276.db2.gz YHHBGYMKZOBZPL-MRXNPFEDSA-N 1 2 341.459 0.843 20 30 ECEDLO N#Cc1ccnc(N2CCN(C(=O)/C=C\C[NH+]3CCOCC3)CC2)c1 ZINC000864693890 590094808 /nfs/dbraw/zinc/09/48/08/590094808.db2.gz QXBAPYGYZMQAEE-UPHRSURJSA-N 1 2 341.415 0.490 20 30 ECEDLO CC(C)NC(=O)OC1C[NH+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000871981056 590095206 /nfs/dbraw/zinc/09/52/06/590095206.db2.gz UXJJECJSGJNAGR-ZDUSSCGKSA-N 1 2 325.409 0.877 20 30 ECEDLO C#CCN(C(=O)Cc1cn2cc(F)ccc2[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC000864974226 590118833 /nfs/dbraw/zinc/11/88/33/590118833.db2.gz BXNZIMBOQBFWRR-AWEZNQCLSA-N 1 2 349.387 0.665 20 30 ECEDLO Cc1cccc(C#N)c1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000872476399 590120065 /nfs/dbraw/zinc/12/00/65/590120065.db2.gz WIIMPMKEMXBTOP-ZIAGYGMSSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cccc(C#N)c1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000872476399 590120066 /nfs/dbraw/zinc/12/00/66/590120066.db2.gz WIIMPMKEMXBTOP-ZIAGYGMSSA-N 1 2 337.445 0.942 20 30 ECEDLO C#Cc1cccc(CNC(=O)C(=O)Nc2cc3n(n2)CC[N@@H+](C)C3)c1 ZINC000873909266 590210204 /nfs/dbraw/zinc/21/02/04/590210204.db2.gz HXNXCXXNJIIJOY-UHFFFAOYSA-N 1 2 337.383 0.565 20 30 ECEDLO C#Cc1cccc(CNC(=O)C(=O)Nc2cc3n(n2)CC[N@H+](C)C3)c1 ZINC000873909266 590210205 /nfs/dbraw/zinc/21/02/05/590210205.db2.gz HXNXCXXNJIIJOY-UHFFFAOYSA-N 1 2 337.383 0.565 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2)c1ccccc1 ZINC000873928755 590211910 /nfs/dbraw/zinc/21/19/10/590211910.db2.gz SQNIQHFPGGQDEC-HNNXBMFYSA-N 1 2 337.383 0.758 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2)c1ccccc1 ZINC000873928755 590211912 /nfs/dbraw/zinc/21/19/12/590211912.db2.gz SQNIQHFPGGQDEC-HNNXBMFYSA-N 1 2 337.383 0.758 20 30 ECEDLO C#CCCCNC(=O)C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000875239296 590286071 /nfs/dbraw/zinc/28/60/71/590286071.db2.gz BWLCRNBKQKQKLB-MRXNPFEDSA-N 1 2 343.427 0.915 20 30 ECEDLO C#CCCCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000875239296 590286073 /nfs/dbraw/zinc/28/60/73/590286073.db2.gz BWLCRNBKQKQKLB-MRXNPFEDSA-N 1 2 343.427 0.915 20 30 ECEDLO C#CCOCCNC(=O)N1Cc2ccc[nH+]c2N2C[C@@H](OC)C[C@H]2C1 ZINC000875485288 590304955 /nfs/dbraw/zinc/30/49/55/590304955.db2.gz HXIJXEWTXSDART-HOTGVXAUSA-N 1 2 344.415 0.850 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879463936 590313201 /nfs/dbraw/zinc/31/32/01/590313201.db2.gz VSINSJYCXVJLHL-AWEZNQCLSA-N 1 2 331.416 0.964 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000875607389 590315334 /nfs/dbraw/zinc/31/53/34/590315334.db2.gz IWLUBSYWOKIGKK-OAHLLOKOSA-N 1 2 349.456 0.547 20 30 ECEDLO CN1CC(=O)N(CC[NH+]2CCN(c3ccc(F)cc3C#N)CC2)C1=O ZINC000879590700 590326734 /nfs/dbraw/zinc/32/67/34/590326734.db2.gz ITBAFZFQDDQTIW-UHFFFAOYSA-N 1 2 345.378 0.713 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1)C1CC1 ZINC000879764449 590343600 /nfs/dbraw/zinc/34/36/00/590343600.db2.gz XTJNPRUOEKHDHA-KBPBESRZSA-N 1 2 346.353 0.938 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1)C1CC1 ZINC000879764449 590343602 /nfs/dbraw/zinc/34/36/02/590343602.db2.gz XTJNPRUOEKHDHA-KBPBESRZSA-N 1 2 346.353 0.938 20 30 ECEDLO C#CC[C@H](COC)NC(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000875928314 590346964 /nfs/dbraw/zinc/34/69/64/590346964.db2.gz PRAFPCQEKIUIFA-OWCLPIDISA-N 1 2 344.415 0.585 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1 ZINC000879932967 590352575 /nfs/dbraw/zinc/35/25/75/590352575.db2.gz YVKVWWDQWGJJOJ-CVEARBPZSA-N 1 2 347.440 0.541 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1 ZINC000879932967 590352576 /nfs/dbraw/zinc/35/25/76/590352576.db2.gz YVKVWWDQWGJJOJ-CVEARBPZSA-N 1 2 347.440 0.541 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000880015323 590361251 /nfs/dbraw/zinc/36/12/51/590361251.db2.gz IEQXPBKYFRDUPC-AEGPPILISA-N 1 2 327.450 0.504 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000880015323 590361254 /nfs/dbraw/zinc/36/12/54/590361254.db2.gz IEQXPBKYFRDUPC-AEGPPILISA-N 1 2 327.450 0.504 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)O[C@H](C)C2)CC1 ZINC000880058323 590363878 /nfs/dbraw/zinc/36/38/78/590363878.db2.gz WAMXBESPXPHXSA-KGLIPLIRSA-N 1 2 347.381 0.806 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)O[C@H](C)C2)CC1 ZINC000880058323 590363880 /nfs/dbraw/zinc/36/38/80/590363880.db2.gz WAMXBESPXPHXSA-KGLIPLIRSA-N 1 2 347.381 0.806 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CCN2C(=O)COc3ccccc32)CC1 ZINC000128338152 590382777 /nfs/dbraw/zinc/38/27/77/590382777.db2.gz QUNOFPMXTLMNOR-UHFFFAOYSA-N 1 2 327.384 0.580 20 30 ECEDLO C=CCN1CC[C@H](N(C)C(=O)Nc2cc3n(n2)CC[N@H+](C)C3)C1=O ZINC000880818551 590421685 /nfs/dbraw/zinc/42/16/85/590421685.db2.gz AJKFVKDETMFKRO-ZDUSSCGKSA-N 1 2 332.408 0.579 20 30 ECEDLO C=CCN1CC[C@H](N(C)C(=O)Nc2cc3n(n2)CC[N@@H+](C)C3)C1=O ZINC000880818551 590421687 /nfs/dbraw/zinc/42/16/87/590421687.db2.gz AJKFVKDETMFKRO-ZDUSSCGKSA-N 1 2 332.408 0.579 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cnc(C(F)(F)F)cc2=O)CC1 ZINC000882219952 590528174 /nfs/dbraw/zinc/52/81/74/590528174.db2.gz MSQVQUAYJAMRAK-UHFFFAOYSA-N 1 2 328.294 0.040 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c[nH]cc2C2CC2)CC1 ZINC000878737348 590539044 /nfs/dbraw/zinc/53/90/44/590539044.db2.gz JEKZQCHVLOLCLS-UHFFFAOYSA-N 1 2 328.416 0.789 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2c[nH]cc2C2CC2)CC1 ZINC000878737348 590539045 /nfs/dbraw/zinc/53/90/45/590539045.db2.gz JEKZQCHVLOLCLS-UHFFFAOYSA-N 1 2 328.416 0.789 20 30 ECEDLO C#CCOCCC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000130738682 590601840 /nfs/dbraw/zinc/60/18/40/590601840.db2.gz ARENCADKQQOVKD-HNNXBMFYSA-N 1 2 335.448 0.618 20 30 ECEDLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(CCC#N)cc1 ZINC000885006839 590667806 /nfs/dbraw/zinc/66/78/06/590667806.db2.gz CUFPLVYWPFBTLI-HNNXBMFYSA-N 1 2 336.461 0.667 20 30 ECEDLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(CCC#N)cc1 ZINC000885006839 590667809 /nfs/dbraw/zinc/66/78/09/590667809.db2.gz CUFPLVYWPFBTLI-HNNXBMFYSA-N 1 2 336.461 0.667 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccccc1Cn1cccn1 ZINC000884063012 590728640 /nfs/dbraw/zinc/72/86/40/590728640.db2.gz JZYQVPKSMYFOQZ-INIZCTEOSA-N 1 2 342.399 0.994 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)C1 ZINC000885513673 590729936 /nfs/dbraw/zinc/72/99/36/590729936.db2.gz BXFVYEKKJHQJFM-AWEZNQCLSA-N 1 2 347.440 0.581 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)C1 ZINC000885513673 590729940 /nfs/dbraw/zinc/72/99/40/590729940.db2.gz BXFVYEKKJHQJFM-AWEZNQCLSA-N 1 2 347.440 0.581 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 ZINC000885512852 590730202 /nfs/dbraw/zinc/73/02/02/590730202.db2.gz YYSJXOLHDHYRHA-ZIAGYGMSSA-N 1 2 338.433 0.220 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 ZINC000885512852 590730206 /nfs/dbraw/zinc/73/02/06/590730206.db2.gz YYSJXOLHDHYRHA-ZIAGYGMSSA-N 1 2 338.433 0.220 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc(C(=O)OC)c2)C1 ZINC000885513866 590730264 /nfs/dbraw/zinc/73/02/64/590730264.db2.gz IMGFQYZHEMUJSN-AWEZNQCLSA-N 1 2 336.413 0.849 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(C(=O)OC)c2)C1 ZINC000885513866 590730266 /nfs/dbraw/zinc/73/02/66/590730266.db2.gz IMGFQYZHEMUJSN-AWEZNQCLSA-N 1 2 336.413 0.849 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cc(C(=O)OC)co2)C1 ZINC000885512017 590730344 /nfs/dbraw/zinc/73/03/44/590730344.db2.gz QOYDHFZDIZNFHU-LBPRGKRZSA-N 1 2 326.374 0.442 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(C(=O)OC)co2)C1 ZINC000885512017 590730347 /nfs/dbraw/zinc/73/03/47/590730347.db2.gz QOYDHFZDIZNFHU-LBPRGKRZSA-N 1 2 326.374 0.442 20 30 ECEDLO Cc1ccc(CNC(=O)CON=C(N)C[NH+]2CCSCC2)cc1 ZINC000136075552 590742309 /nfs/dbraw/zinc/74/23/09/590742309.db2.gz RFUIQJHJTRICHU-UHFFFAOYSA-N 1 2 336.461 0.949 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1COc2c(cccc2OC)C1 ZINC000884125311 590748282 /nfs/dbraw/zinc/74/82/82/590748282.db2.gz VTSQJMQMCHOVIV-OLZOCXBDSA-N 1 2 334.372 0.562 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000884191902 590769243 /nfs/dbraw/zinc/76/92/43/590769243.db2.gz QFYYFOBPUHPQPV-INIZCTEOSA-N 1 2 347.415 0.586 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)c1ccc(N2CCOCC2)nc1 ZINC000884320649 590804666 /nfs/dbraw/zinc/80/46/66/590804666.db2.gz VTGXPGFFNZWCNW-AWEZNQCLSA-N 1 2 348.403 0.328 20 30 ECEDLO Cn1cc(N2CCC[C@H](O[NH+]=C(N)Cc3cccnc3)C2=O)cn1 ZINC000137655676 590830932 /nfs/dbraw/zinc/83/09/32/590830932.db2.gz RXCMDAUOPHTTKZ-AWEZNQCLSA-N 1 2 328.376 0.842 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1c(Br)cnn1C ZINC000884454389 590833168 /nfs/dbraw/zinc/83/31/68/590833168.db2.gz MRXHXMKUFLWFMA-VIFPVBQESA-N 1 2 345.197 0.245 20 30 ECEDLO CN([C@]1(C#N)CCOC1)S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000886402295 590839742 /nfs/dbraw/zinc/83/97/42/590839742.db2.gz CQQQYQYRIKHMLD-INIZCTEOSA-N 1 2 335.429 0.978 20 30 ECEDLO CN([C@]1(C#N)CCOC1)S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000886402295 590839746 /nfs/dbraw/zinc/83/97/46/590839746.db2.gz CQQQYQYRIKHMLD-INIZCTEOSA-N 1 2 335.429 0.978 20 30 ECEDLO C[C@]1(C#N)CN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CCO1 ZINC000887676997 590991242 /nfs/dbraw/zinc/99/12/42/590991242.db2.gz OJNBSWFFVWQCAN-KRWDZBQOSA-N 1 2 329.404 0.345 20 30 ECEDLO C[C@@]1(C#N)CN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)CCO1 ZINC000887684889 590991844 /nfs/dbraw/zinc/99/18/44/590991844.db2.gz RJTXXUORCKOIKY-QGZVFWFLSA-N 1 2 330.388 0.668 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000948102198 611428468 /nfs/dbraw/zinc/42/84/68/611428468.db2.gz FPIDUSFDXRNQTG-STQMWFEESA-N 1 2 329.404 0.712 20 30 ECEDLO COC(=O)c1cccc(C[N@@H+]2CCC(OC)(OC)[C@H](O)C2)c1C#N ZINC000931633123 611558357 /nfs/dbraw/zinc/55/83/57/611558357.db2.gz CDWYFHARFMZEDK-OAHLLOKOSA-N 1 2 334.372 0.901 20 30 ECEDLO COC(=O)c1cccc(C[N@H+]2CCC(OC)(OC)[C@H](O)C2)c1C#N ZINC000931633123 611558358 /nfs/dbraw/zinc/55/83/58/611558358.db2.gz CDWYFHARFMZEDK-OAHLLOKOSA-N 1 2 334.372 0.901 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)C[C@@H]1C ZINC000947032071 611619222 /nfs/dbraw/zinc/61/92/22/611619222.db2.gz JPVRYRLSQHPFAB-QWRGUYRKSA-N 1 2 343.229 0.551 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)C[C@@H]1C ZINC000947032071 611619224 /nfs/dbraw/zinc/61/92/24/611619224.db2.gz JPVRYRLSQHPFAB-QWRGUYRKSA-N 1 2 343.229 0.551 20 30 ECEDLO C=C(Br)CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000175722460 608601954 /nfs/dbraw/zinc/60/19/54/608601954.db2.gz YNPZNVSABYXSBW-NSHDSACASA-N 1 2 336.230 0.230 20 30 ECEDLO C=C(C)Cn1c(-c2ncon2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000909330508 608611450 /nfs/dbraw/zinc/61/14/50/608611450.db2.gz IPWTVVQNHXLUEX-UHFFFAOYSA-N 1 2 333.396 0.673 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCn4ccnc4C3)CC2)C1 ZINC000949401964 608669358 /nfs/dbraw/zinc/66/93/58/608669358.db2.gz RLVTWLVVYIPDGS-MRXNPFEDSA-N 1 2 342.443 0.772 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCn4ccnc4C3)CC2)C1 ZINC000949401964 608669361 /nfs/dbraw/zinc/66/93/61/608669361.db2.gz RLVTWLVVYIPDGS-MRXNPFEDSA-N 1 2 342.443 0.772 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCCCN(C)C3=O)CC2)C1 ZINC000949512031 608725277 /nfs/dbraw/zinc/72/52/77/608725277.db2.gz DNAWJQZSFAMXHV-INIZCTEOSA-N 1 2 347.459 0.572 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCCCN(C)C3=O)CC2)C1 ZINC000949512031 608725281 /nfs/dbraw/zinc/72/52/81/608725281.db2.gz DNAWJQZSFAMXHV-INIZCTEOSA-N 1 2 347.459 0.572 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC(NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC000947504313 608834648 /nfs/dbraw/zinc/83/46/48/608834648.db2.gz ZHZPNNTZYTWXFG-UHFFFAOYSA-N 1 2 340.387 0.583 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C)[nH]1 ZINC000936612888 608875774 /nfs/dbraw/zinc/87/57/74/608875774.db2.gz WOBIAXAWRQMGAE-DZKIICNBSA-N 1 2 341.415 0.241 20 30 ECEDLO CC(C)CNC(=O)CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000060197638 608911381 /nfs/dbraw/zinc/91/13/81/608911381.db2.gz ZKUPTFGCXUIKLM-UHFFFAOYSA-N 1 2 348.447 0.928 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000936113066 608958551 /nfs/dbraw/zinc/95/85/51/608958551.db2.gz BYYOTBXXAMIXFM-YUELXQCFSA-N 1 2 332.404 0.271 20 30 ECEDLO COc1cc2[nH]cc(C(=O)NCC#CC[NH+](C)C)c(=O)c2c(OC)c1 ZINC000913524277 609684231 /nfs/dbraw/zinc/68/42/31/609684231.db2.gz GPWMEPNVEOKRIL-UHFFFAOYSA-N 1 2 343.383 0.840 20 30 ECEDLO C=CCN1C(=O)c2ccc(C(=O)N3CC[N@@H+](C)[C@H](CO)C3)cc2C1=O ZINC000913557291 609778270 /nfs/dbraw/zinc/77/82/70/609778270.db2.gz XVRFFDDDTXUOGQ-ZDUSSCGKSA-N 1 2 343.383 0.217 20 30 ECEDLO C=CCN1C(=O)c2ccc(C(=O)N3CC[N@H+](C)[C@H](CO)C3)cc2C1=O ZINC000913557291 609778271 /nfs/dbraw/zinc/77/82/71/609778271.db2.gz XVRFFDDDTXUOGQ-ZDUSSCGKSA-N 1 2 343.383 0.217 20 30 ECEDLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)c1cccc(C#CCO)c1 ZINC000912894566 610017813 /nfs/dbraw/zinc/01/78/13/610017813.db2.gz MKAGWTRXNCVRET-UHFFFAOYSA-N 1 2 330.384 0.209 20 30 ECEDLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)c1cccc(C#CCO)c1 ZINC000912894566 610017816 /nfs/dbraw/zinc/01/78/16/610017816.db2.gz MKAGWTRXNCVRET-UHFFFAOYSA-N 1 2 330.384 0.209 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC000938981612 610060126 /nfs/dbraw/zinc/06/01/26/610060126.db2.gz GPTSJGWVCPHZHR-AWEZNQCLSA-N 1 2 340.387 0.834 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000939932373 610170506 /nfs/dbraw/zinc/17/05/06/610170506.db2.gz OJAUWGAMGZYNLF-CYBMUJFWSA-N 1 2 340.387 0.583 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(OC)ns3)CC2)C1 ZINC000941413119 610303005 /nfs/dbraw/zinc/30/30/05/610303005.db2.gz QHAXAYQUZFRYSP-UHFFFAOYSA-N 1 2 334.445 0.617 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnc4n[nH]cc4c3)CC2)C1 ZINC000941452596 610326566 /nfs/dbraw/zinc/32/65/66/610326566.db2.gz ZWISYULCBAWDEX-UHFFFAOYSA-N 1 2 338.415 0.423 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)C(=O)Nc3ccccc3)CC2)C1 ZINC000941471441 610329559 /nfs/dbraw/zinc/32/95/59/610329559.db2.gz AKCHRJMYQARGOS-UHFFFAOYSA-N 1 2 326.400 0.087 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccccc3COC)CC2)C1 ZINC000941471723 610330403 /nfs/dbraw/zinc/33/04/03/610330403.db2.gz IQTRAZSWOVLQHA-UHFFFAOYSA-N 1 2 327.428 0.908 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3coc(C(F)(F)F)n3)CC2)C1 ZINC000941475666 610332055 /nfs/dbraw/zinc/33/20/55/610332055.db2.gz UBYFEDXBLQLJJW-UHFFFAOYSA-N 1 2 342.321 0.769 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4nccn4C3)CC2)C1 ZINC000941464448 610333503 /nfs/dbraw/zinc/33/35/03/610333503.db2.gz KCWBPJSKZJVEDW-INIZCTEOSA-N 1 2 341.459 0.297 20 30 ECEDLO CC#CCN1CC(N2CCN(C(=O)c3cc(C[NH+](C)C)on3)CC2)C1 ZINC000941466009 610334344 /nfs/dbraw/zinc/33/43/44/610334344.db2.gz RHLVDHBGECFEMF-UHFFFAOYSA-N 1 2 345.447 0.202 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)C(C)(C)C3CCOCC3)CC2)C1 ZINC000941479817 610334585 /nfs/dbraw/zinc/33/45/85/610334585.db2.gz WCTNZNSMFZKQOG-UHFFFAOYSA-N 1 2 333.476 0.901 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3cn(C)nc3Cl)CC2)C1 ZINC000941565255 610385641 /nfs/dbraw/zinc/38/56/41/610385641.db2.gz UHKYLBZQOIUKRV-UHFFFAOYSA-N 1 2 349.866 0.468 20 30 ECEDLO C=CCC[NH+]1CC(N2CCN(C(=O)C(C)(C)S(C)(=O)=O)CC2)C1 ZINC000941592239 610388093 /nfs/dbraw/zinc/38/80/93/610388093.db2.gz FCHQBEIRORYRII-UHFFFAOYSA-N 1 2 343.493 0.214 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@H](C(N)=O)C3)CC2)C1 ZINC000941592329 610388120 /nfs/dbraw/zinc/38/81/20/610388120.db2.gz HPDCAZVCWLHSSR-JKSUJKDBSA-N 1 2 346.475 0.130 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCc3cn(C)nc3C)CC2)C1 ZINC000941592580 610388125 /nfs/dbraw/zinc/38/81/25/610388125.db2.gz IOWAKDCFSHJKFS-UHFFFAOYSA-N 1 2 343.475 0.513 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnc(C)nc3C(C)C)CC2)C1 ZINC000941595807 610390606 /nfs/dbraw/zinc/39/06/06/610390606.db2.gz OPUSNLFDAVZPJC-UHFFFAOYSA-N 1 2 341.459 0.984 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)c3c(C)n[nH]c3C)CC2)C1 ZINC000941607466 610405497 /nfs/dbraw/zinc/40/54/97/610405497.db2.gz OQWYYVAUSAMNRZ-CYBMUJFWSA-N 1 2 329.448 0.592 20 30 ECEDLO C#CCC[NH+]1CC(N2CCN(C(=O)c3c[nH]c(C)cc3=O)CC2)C1 ZINC000941626596 610415723 /nfs/dbraw/zinc/41/57/23/610415723.db2.gz MTLZZPCAIWLDSA-UHFFFAOYSA-N 1 2 328.416 0.149 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)c1 ZINC000942371006 610419516 /nfs/dbraw/zinc/41/95/16/610419516.db2.gz UGNPDBFUKGEILE-MRXNPFEDSA-N 1 2 337.383 0.750 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)c1 ZINC000942371006 610419517 /nfs/dbraw/zinc/41/95/17/610419517.db2.gz UGNPDBFUKGEILE-MRXNPFEDSA-N 1 2 337.383 0.750 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3ccc(C)nc3)CC2)C1 ZINC000941668060 610458531 /nfs/dbraw/zinc/45/85/31/610458531.db2.gz DYUCKHPCCBLKOX-UHFFFAOYSA-N 1 2 326.444 0.784 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2=CCCC2)C[C@H]1OC ZINC000942513635 610492976 /nfs/dbraw/zinc/49/29/76/610492976.db2.gz VMDYQWNFPLIGID-IXDOHACOSA-N 1 2 345.443 0.536 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2=CCCC2)C[C@H]1OC ZINC000942513635 610492978 /nfs/dbraw/zinc/49/29/78/610492978.db2.gz VMDYQWNFPLIGID-IXDOHACOSA-N 1 2 345.443 0.536 20 30 ECEDLO CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000942531407 610502275 /nfs/dbraw/zinc/50/22/75/610502275.db2.gz PADPWNXIVFIEPK-MRVWCRGKSA-N 1 2 347.419 0.428 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000941930867 610568414 /nfs/dbraw/zinc/56/84/14/610568414.db2.gz PFYQAQVCYKPEKJ-GFCCVEGCSA-N 1 2 326.360 0.491 20 30 ECEDLO Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](C)C2)[nH]1 ZINC000941962281 610585171 /nfs/dbraw/zinc/58/51/71/610585171.db2.gz DAWJCQZCEHWZAM-HZMBPMFUSA-N 1 2 327.392 0.953 20 30 ECEDLO Cc1nnc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](C)C2)[nH]1 ZINC000941962281 610585173 /nfs/dbraw/zinc/58/51/73/610585173.db2.gz DAWJCQZCEHWZAM-HZMBPMFUSA-N 1 2 327.392 0.953 20 30 ECEDLO Cc1noc(C)c1C[NH+]1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC000941345323 610682949 /nfs/dbraw/zinc/68/29/49/610682949.db2.gz RQBGFRQKGXYGGT-LBPRGKRZSA-N 1 2 331.420 0.780 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000942987934 610706737 /nfs/dbraw/zinc/70/67/37/610706737.db2.gz XZIIVHDGHFRXIQ-ZNMIVQPWSA-N 1 2 346.431 0.993 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3[nH]nc4c3CCCC4)CC2)C1 ZINC000941410209 610723314 /nfs/dbraw/zinc/72/33/14/610723314.db2.gz BXYULWRADMOIIH-UHFFFAOYSA-N 1 2 341.459 0.293 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@H]2CCCCN(C(=O)Cn3cc[nH+]c3)C2)[nH]1 ZINC000943200152 610744997 /nfs/dbraw/zinc/74/49/97/610744997.db2.gz PYTMZKGPDKOGOM-AWEZNQCLSA-N 1 2 340.387 0.894 20 30 ECEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)Cn3nccn3)CC2)cc1 ZINC000948548129 610771860 /nfs/dbraw/zinc/77/18/60/610771860.db2.gz AGMSEIHQWHNVFH-UHFFFAOYSA-N 1 2 340.387 0.525 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnn(C)n3)C[C@@H]2C)nc1 ZINC000944193314 610776516 /nfs/dbraw/zinc/77/65/16/610776516.db2.gz UYJGHIJXYOJBKY-XJKSGUPXSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cnn(C)n3)C[C@@H]2C)nc1 ZINC000944193314 610776518 /nfs/dbraw/zinc/77/65/18/610776518.db2.gz UYJGHIJXYOJBKY-XJKSGUPXSA-N 1 2 338.415 0.832 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)[nH]1 ZINC000943477562 610866359 /nfs/dbraw/zinc/86/63/59/610866359.db2.gz LWKZUBGSVUBMGN-CYBMUJFWSA-N 1 2 340.387 0.963 20 30 ECEDLO C#CC[NH+]1CCC(NC(=O)N[C@H]2CC[C@H](C)S(=O)(=O)C2)CC1 ZINC000923270824 611222803 /nfs/dbraw/zinc/22/28/03/611222803.db2.gz ZKGSCPMWAAXRCW-JSGCOSHPSA-N 1 2 327.450 0.349 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(NS(C)(=O)=O)nc2)C1 ZINC000923552702 611259687 /nfs/dbraw/zinc/25/96/87/611259687.db2.gz YHQXSAIWCLHLMJ-ZDUSSCGKSA-N 1 2 336.417 0.281 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(NS(C)(=O)=O)nc2)C1 ZINC000923552702 611259690 /nfs/dbraw/zinc/25/96/90/611259690.db2.gz YHQXSAIWCLHLMJ-ZDUSSCGKSA-N 1 2 336.417 0.281 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cn(C)c3c(cnn3C)c2=O)C1 ZINC000923561333 611262221 /nfs/dbraw/zinc/26/22/21/611262221.db2.gz YCMDHAKHKIVHCW-LBPRGKRZSA-N 1 2 327.388 0.099 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cn(C)c3c(cnn3C)c2=O)C1 ZINC000923561333 611262223 /nfs/dbraw/zinc/26/22/23/611262223.db2.gz YCMDHAKHKIVHCW-LBPRGKRZSA-N 1 2 327.388 0.099 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)Sc2nnnn2C2CC2)C1 ZINC000923580781 611268555 /nfs/dbraw/zinc/26/85/55/611268555.db2.gz COSDGTKHLYCYDP-VXGBXAGGSA-N 1 2 334.449 0.702 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)Sc2nnnn2C2CC2)C1 ZINC000923580781 611268558 /nfs/dbraw/zinc/26/85/58/611268558.db2.gz COSDGTKHLYCYDP-VXGBXAGGSA-N 1 2 334.449 0.702 20 30 ECEDLO CCn1c(=O)c2ccc(C(=O)N[C@@H]3C[NH2+]C[C@@H]3C#N)cc2[nH]c1=S ZINC000834512480 611289790 /nfs/dbraw/zinc/28/97/90/611289790.db2.gz XPWDRVHSNBHEGI-GXFFZTMASA-N 1 2 343.412 0.546 20 30 ECEDLO Cn1cc(N2CC[C@H]([NH+]3CCC4(CC3)CC(=O)C=CO4)C2=O)cn1 ZINC000933652758 611738671 /nfs/dbraw/zinc/73/86/71/611738671.db2.gz RSIHXXYSVPAIJZ-HNNXBMFYSA-N 1 2 330.388 0.863 20 30 ECEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC000950648967 611816582 /nfs/dbraw/zinc/81/65/82/611816582.db2.gz BBIARTZHRYTKHW-UHFFFAOYSA-N 1 2 325.390 0.097 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CCN2C(=O)CCc2c[nH]c[nH+]2)c1 ZINC000949299277 611931988 /nfs/dbraw/zinc/93/19/88/611931988.db2.gz WRPHLXVAEXVJNY-CYBMUJFWSA-N 1 2 326.360 0.573 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CCN2C(=O)CCc2c[nH+]c[nH]2)c1 ZINC000949299277 611931990 /nfs/dbraw/zinc/93/19/90/611931990.db2.gz WRPHLXVAEXVJNY-CYBMUJFWSA-N 1 2 326.360 0.573 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cnn(C)c3CC)CC2)C1 ZINC000949406176 611967476 /nfs/dbraw/zinc/96/74/76/611967476.db2.gz UXGXVTKLHISOPA-UHFFFAOYSA-N 1 2 330.432 0.923 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cnn(C)c3CC)CC2)C1 ZINC000949406176 611967477 /nfs/dbraw/zinc/96/74/77/611967477.db2.gz UXGXVTKLHISOPA-UHFFFAOYSA-N 1 2 330.432 0.923 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cc(CC)nn3C)CC2)C1 ZINC000949500238 612009486 /nfs/dbraw/zinc/00/94/86/612009486.db2.gz BJYZQTUSDSKNNY-UHFFFAOYSA-N 1 2 330.432 0.923 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cc(CC)nn3C)CC2)C1 ZINC000949500238 612009488 /nfs/dbraw/zinc/00/94/88/612009488.db2.gz BJYZQTUSDSKNNY-UHFFFAOYSA-N 1 2 330.432 0.923 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCCCC(=O)N3)CC2)C1 ZINC000949517800 612018272 /nfs/dbraw/zinc/01/82/72/612018272.db2.gz FBHDQZHGLBJCTP-INIZCTEOSA-N 1 2 347.459 0.762 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCCCC(=O)N3)CC2)C1 ZINC000949517800 612018273 /nfs/dbraw/zinc/01/82/73/612018273.db2.gz FBHDQZHGLBJCTP-INIZCTEOSA-N 1 2 347.459 0.762 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)CCc3cnn(C)c3)CC2)C1 ZINC000949529469 612022487 /nfs/dbraw/zinc/02/24/87/612022487.db2.gz VNQWVWKRZWUSOD-UHFFFAOYSA-N 1 2 330.432 0.679 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)CCc3cnn(C)c3)CC2)C1 ZINC000949529469 612022489 /nfs/dbraw/zinc/02/24/89/612022489.db2.gz VNQWVWKRZWUSOD-UHFFFAOYSA-N 1 2 330.432 0.679 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)[nH]1 ZINC000950463545 612030212 /nfs/dbraw/zinc/03/02/12/612030212.db2.gz INKGVSZUGHRYGY-ZDUSSCGKSA-N 1 2 326.360 0.504 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000952921497 612125572 /nfs/dbraw/zinc/12/55/72/612125572.db2.gz FRKFLRCREFRZSY-RHSMWYFYSA-N 1 2 329.404 0.884 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000952941127 612132357 /nfs/dbraw/zinc/13/23/57/612132357.db2.gz IBMGBFXNFWGFLF-SUMWQHHRSA-N 1 2 329.404 0.953 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CCN2C(=O)Cc2c[nH+]cn2C)c1 ZINC000952011898 612175551 /nfs/dbraw/zinc/17/55/51/612175551.db2.gz GCSXWRCBGMFCNK-OAHLLOKOSA-N 1 2 337.383 0.370 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CCN2C(=O)Cc2[nH]c[nH+]c2C)c1 ZINC000952014088 612176728 /nfs/dbraw/zinc/17/67/28/612176728.db2.gz FALMUCBKUDGYGK-OAHLLOKOSA-N 1 2 337.383 0.668 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)Cc2[nH]c[nH+]c2C)cn1 ZINC000951381631 612196162 /nfs/dbraw/zinc/19/61/62/612196162.db2.gz JFRNSQYYNCIYSJ-OAHLLOKOSA-N 1 2 337.383 0.668 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000951413394 612214225 /nfs/dbraw/zinc/21/42/25/612214225.db2.gz LKHRONIXJBVGRC-CYBMUJFWSA-N 1 2 340.387 0.583 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)[nH]1 ZINC000952149749 612249488 /nfs/dbraw/zinc/24/94/88/612249488.db2.gz XKDHJKMHTGOUAK-LBPRGKRZSA-N 1 2 326.360 0.573 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)nc1 ZINC000951495203 612269450 /nfs/dbraw/zinc/26/94/50/612269450.db2.gz WJTQJQKKMDLJDP-AWEZNQCLSA-N 1 2 337.383 0.750 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000953401509 612311119 /nfs/dbraw/zinc/31/11/19/612311119.db2.gz CBKZTBVYTVXNBY-LSDHHAIUSA-N 1 2 326.400 0.815 20 30 ECEDLO C=CCn1cccc1C(=O)N(C)C1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000954548868 612392886 /nfs/dbraw/zinc/39/28/86/612392886.db2.gz WCTOGIRZEHJRPB-UHFFFAOYSA-N 1 2 327.388 0.923 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000956108866 612713850 /nfs/dbraw/zinc/71/38/50/612713850.db2.gz AQCHGXXAIVAZFJ-ZDUSSCGKSA-N 1 2 340.387 0.583 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000955729692 612797746 /nfs/dbraw/zinc/79/77/46/612797746.db2.gz QOTHHLVCOPUUDM-CHWSQXEVSA-N 1 2 340.387 0.892 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001078035454 782187917 /nfs/dbraw/zinc/18/79/17/782187917.db2.gz ZZASYFYACCFZNZ-LBPRGKRZSA-N 1 2 325.372 0.653 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)Cc3ccsc3)[C@@H](O)C2)C1=O ZINC001083321561 751340238 /nfs/dbraw/zinc/34/02/38/751340238.db2.gz PZBIFEDURQKCPF-ILXRZTDVSA-N 1 2 349.456 0.239 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)Cc3ccsc3)[C@@H](O)C2)C1=O ZINC001083321561 751340245 /nfs/dbraw/zinc/34/02/45/751340245.db2.gz PZBIFEDURQKCPF-ILXRZTDVSA-N 1 2 349.456 0.239 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3[nH]ccc3n2)[C@@H](n2ccnn2)C1 ZINC001069976930 790269690 /nfs/dbraw/zinc/26/96/90/790269690.db2.gz GJYVBQMBBBBPFB-SJORKVTESA-N 1 2 349.398 0.833 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc3[nH]ccc3n2)[C@@H](n2ccnn2)C1 ZINC001069976930 790269695 /nfs/dbraw/zinc/26/96/95/790269695.db2.gz GJYVBQMBBBBPFB-SJORKVTESA-N 1 2 349.398 0.833 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H]([NH+]2CCN(c3cnc(F)cn3)CC2)C1 ZINC001111963796 738556827 /nfs/dbraw/zinc/55/68/27/738556827.db2.gz WNTJLELARZCCMO-CQSZACIVSA-N 1 2 349.410 0.541 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H]([NH+]2CCN(c3cnc(F)cn3)CC2)C1 ZINC001111963795 738556605 /nfs/dbraw/zinc/55/66/05/738556605.db2.gz WNTJLELARZCCMO-AWEZNQCLSA-N 1 2 349.410 0.541 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CC([C@@H](C)NC(=O)c3ncccc3O)C2)C1=O ZINC000969542720 731961792 /nfs/dbraw/zinc/96/17/92/731961792.db2.gz HROQLDWVDHTWPW-OCCSQVGLSA-N 1 2 344.415 0.624 20 30 ECEDLO CC#CCCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnn(C)n2)C1 ZINC001104552899 738617358 /nfs/dbraw/zinc/61/73/58/738617358.db2.gz RFXJQKNTGNJOSP-HUUCEWRRSA-N 1 2 332.452 0.978 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(N4CCCC4)ncn3)[C@H]2C1 ZINC001083193295 732543188 /nfs/dbraw/zinc/54/31/88/732543188.db2.gz KCQWEVSGEOEOPP-JKSUJKDBSA-N 1 2 341.415 0.235 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(N4CCCC4)ncn3)[C@H]2C1 ZINC001083193295 732543190 /nfs/dbraw/zinc/54/31/90/732543190.db2.gz KCQWEVSGEOEOPP-JKSUJKDBSA-N 1 2 341.415 0.235 20 30 ECEDLO COc1ccc(C[NH+]2CC([C@H](C)NC(=O)c3cn[nH]n3)C2)cc1C#N ZINC000970023522 732637421 /nfs/dbraw/zinc/63/74/21/732637421.db2.gz IWCGRBNAUAKDBL-NSHDSACASA-N 1 2 340.387 0.935 20 30 ECEDLO COc1ccc(C[NH+]2CC([C@H](C)NC(=O)c3cnn[nH]3)C2)cc1C#N ZINC000970023522 732637423 /nfs/dbraw/zinc/63/74/23/732637423.db2.gz IWCGRBNAUAKDBL-NSHDSACASA-N 1 2 340.387 0.935 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC000970092717 732769958 /nfs/dbraw/zinc/76/99/58/732769958.db2.gz FQTBAMRXTDDFRA-MNOVXSKESA-N 1 2 340.811 0.419 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCC)C2)nn1 ZINC001098599347 738725665 /nfs/dbraw/zinc/72/56/65/738725665.db2.gz ZMNQGHIAMHTRJN-CQSZACIVSA-N 1 2 334.424 0.243 20 30 ECEDLO N#Cc1cncc(NCC2(O)CCN(C(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001067476911 734202297 /nfs/dbraw/zinc/20/22/97/734202297.db2.gz IXDJZHLOPLXGGX-UHFFFAOYSA-N 1 2 341.375 0.010 20 30 ECEDLO C=CCCC(=O)NC[C@H]1CN(c2[nH+]cnc3c2cnn3C)CCO1 ZINC001104311571 734214299 /nfs/dbraw/zinc/21/42/99/734214299.db2.gz HILCQOCNXFEJLA-LBPRGKRZSA-N 1 2 330.392 0.651 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1c1cnc(C#N)cn1 ZINC001067577476 734553862 /nfs/dbraw/zinc/55/38/62/734553862.db2.gz KKVZKZWSROLMNE-NWDGAFQWSA-N 1 2 325.376 0.788 20 30 ECEDLO N#Cc1ccc(N2CCO[C@H](CNC(=O)CCc3c[nH]c[nH+]3)C2)nn1 ZINC001104352625 734599169 /nfs/dbraw/zinc/59/91/69/734599169.db2.gz CYIIHIFOAZULEV-CQSZACIVSA-N 1 2 341.375 0.026 20 30 ECEDLO N#Cc1ccc(N2CCO[C@H](CNC(=O)CCc3c[nH+]c[nH]3)C2)nn1 ZINC001104352625 734599173 /nfs/dbraw/zinc/59/91/73/734599173.db2.gz CYIIHIFOAZULEV-CQSZACIVSA-N 1 2 341.375 0.026 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2cnnn2C)C1 ZINC000971450342 734604692 /nfs/dbraw/zinc/60/46/92/734604692.db2.gz BSCZCXFNXWYNKW-JTQLQIEISA-N 1 2 328.214 0.870 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2cnnn2C)C1 ZINC000971450342 734604695 /nfs/dbraw/zinc/60/46/95/734604695.db2.gz BSCZCXFNXWYNKW-JTQLQIEISA-N 1 2 328.214 0.870 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)CC2)C1 ZINC000949534419 734680893 /nfs/dbraw/zinc/68/08/93/734680893.db2.gz XBYHDWJKBNGTOC-OAHLLOKOSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)CC2)C1 ZINC000949534419 734680895 /nfs/dbraw/zinc/68/08/95/734680895.db2.gz XBYHDWJKBNGTOC-OAHLLOKOSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2cc(C)ncn2)C1 ZINC000971703947 734965597 /nfs/dbraw/zinc/96/55/97/734965597.db2.gz NGMUVSBUOYWWBK-ROUUACIJSA-N 1 2 341.459 0.915 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2cc(C)ncn2)C1 ZINC000971703947 734965598 /nfs/dbraw/zinc/96/55/98/734965598.db2.gz NGMUVSBUOYWWBK-ROUUACIJSA-N 1 2 341.459 0.915 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC000971730126 735002223 /nfs/dbraw/zinc/00/22/23/735002223.db2.gz PDKLDCVXEUHGDG-NEPJUHHUSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC000971730126 735002224 /nfs/dbraw/zinc/00/22/24/735002224.db2.gz PDKLDCVXEUHGDG-NEPJUHHUSA-N 1 2 344.253 0.954 20 30 ECEDLO CC(C)N(CCN(C)c1ccnc(C#N)n1)C(=O)Cn1cc[nH+]c1 ZINC001125543426 735013286 /nfs/dbraw/zinc/01/32/86/735013286.db2.gz PSVYWVSWIKEQQS-UHFFFAOYSA-N 1 2 327.392 0.918 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C)nc4n[nH]c(C)c43)[C@H]2C1 ZINC001083224203 735038481 /nfs/dbraw/zinc/03/84/81/735038481.db2.gz LKNFQCFRZQQFRJ-LSDHHAIUSA-N 1 2 339.399 0.733 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C)nc4n[nH]c(C)c43)[C@H]2C1 ZINC001083224203 735038485 /nfs/dbraw/zinc/03/84/85/735038485.db2.gz LKNFQCFRZQQFRJ-LSDHHAIUSA-N 1 2 339.399 0.733 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)c3[nH]nnc3C)C2)C1=O ZINC000972061251 735595664 /nfs/dbraw/zinc/59/56/64/735595664.db2.gz KXXRKLZPZHRLCZ-QWHCGFSZSA-N 1 2 332.408 0.046 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3[nH]nnc3C)C2)C1=O ZINC000972061251 735595669 /nfs/dbraw/zinc/59/56/69/735595669.db2.gz KXXRKLZPZHRLCZ-QWHCGFSZSA-N 1 2 332.408 0.046 20 30 ECEDLO C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001041960764 782498180 /nfs/dbraw/zinc/49/81/80/782498180.db2.gz UPPKEERYABKYSP-LBPRGKRZSA-N 1 2 332.404 0.485 20 30 ECEDLO C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001041962867 782500355 /nfs/dbraw/zinc/50/03/55/782500355.db2.gz AAHPTJBJKFNJBW-CYBMUJFWSA-N 1 2 332.404 0.101 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)C2)C1 ZINC000972394872 736112469 /nfs/dbraw/zinc/11/24/69/736112469.db2.gz RZALVWLNILCBHJ-APWZRJJASA-N 1 2 347.459 0.570 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)C2)C1 ZINC000972394872 736112471 /nfs/dbraw/zinc/11/24/71/736112471.db2.gz RZALVWLNILCBHJ-APWZRJJASA-N 1 2 347.459 0.570 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C(=O)CC)C2)C1 ZINC000972395699 736120398 /nfs/dbraw/zinc/12/03/98/736120398.db2.gz GKHOVGYZWPCJFA-LPHOPBHVSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C(=O)CC)C2)C1 ZINC000972395699 736120401 /nfs/dbraw/zinc/12/04/01/736120401.db2.gz GKHOVGYZWPCJFA-LPHOPBHVSA-N 1 2 347.459 0.714 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)N3C(=O)CCC3=O)C2)C1 ZINC000972410982 736142637 /nfs/dbraw/zinc/14/26/37/736142637.db2.gz YOIDPKVSWRPVHF-CXAGYDPISA-N 1 2 335.404 0.013 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)N3C(=O)CCC3=O)C2)C1 ZINC000972410982 736142640 /nfs/dbraw/zinc/14/26/40/736142640.db2.gz YOIDPKVSWRPVHF-CXAGYDPISA-N 1 2 335.404 0.013 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccn(C)c(=O)c3)C2)C1 ZINC000972435996 736190156 /nfs/dbraw/zinc/19/01/56/736190156.db2.gz ADJIVOMIDLMDCD-GOSISDBHSA-N 1 2 329.400 0.326 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccn(C)c(=O)c3)C2)C1 ZINC000972435996 736190160 /nfs/dbraw/zinc/19/01/60/736190160.db2.gz ADJIVOMIDLMDCD-GOSISDBHSA-N 1 2 329.400 0.326 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000972456059 736243729 /nfs/dbraw/zinc/24/37/29/736243729.db2.gz QRPCIEDOEFKVHO-GDBMZVCRSA-N 1 2 342.461 0.301 20 30 ECEDLO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000972456059 736243734 /nfs/dbraw/zinc/24/37/34/736243734.db2.gz QRPCIEDOEFKVHO-GDBMZVCRSA-N 1 2 342.461 0.301 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nncn4CC3)C2)C1 ZINC000972470306 736276573 /nfs/dbraw/zinc/27/65/73/736276573.db2.gz CQOZRHACNLXDNW-MAUKXSAKSA-N 1 2 343.431 0.167 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nncn4CC3)C2)C1 ZINC000972470306 736276576 /nfs/dbraw/zinc/27/65/76/736276576.db2.gz CQOZRHACNLXDNW-MAUKXSAKSA-N 1 2 343.431 0.167 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3cccc(OCC)n3)C2)C1 ZINC000972478878 736300691 /nfs/dbraw/zinc/30/06/91/736300691.db2.gz NIFYKVJZGUWRLK-LJQANCHMSA-N 1 2 343.427 0.959 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3cccc(OCC)n3)C2)C1 ZINC000972478878 736300697 /nfs/dbraw/zinc/30/06/97/736300697.db2.gz NIFYKVJZGUWRLK-LJQANCHMSA-N 1 2 343.427 0.959 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3c(C)nn(C)c3C)C2)C1 ZINC000972488755 736348750 /nfs/dbraw/zinc/34/87/50/736348750.db2.gz HLEJHEFVYPBDOD-LJQANCHMSA-N 1 2 344.459 0.906 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3c(C)nn(C)c3C)C2)C1 ZINC000972488755 736348755 /nfs/dbraw/zinc/34/87/55/736348755.db2.gz HLEJHEFVYPBDOD-LJQANCHMSA-N 1 2 344.459 0.906 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3cncnc3)C2)C1 ZINC000972518676 736539810 /nfs/dbraw/zinc/53/98/10/736539810.db2.gz KAGPEANBCPUEOE-YJBOKZPZSA-N 1 2 328.416 0.907 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3cncnc3)C2)C1 ZINC000972518676 736539812 /nfs/dbraw/zinc/53/98/12/736539812.db2.gz KAGPEANBCPUEOE-YJBOKZPZSA-N 1 2 328.416 0.907 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ncn(C(C)(C)C)n3)C2)C1 ZINC000972552606 736707727 /nfs/dbraw/zinc/70/77/27/736707727.db2.gz PTLWVZGBWDVIGE-SFHVURJKSA-N 1 2 345.447 0.973 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ncn(C(C)(C)C)n3)C2)C1 ZINC000972552606 736707731 /nfs/dbraw/zinc/70/77/31/736707731.db2.gz PTLWVZGBWDVIGE-SFHVURJKSA-N 1 2 345.447 0.973 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3nccn4ccnc34)C2)C1 ZINC000972558172 736759503 /nfs/dbraw/zinc/75/95/03/736759503.db2.gz XJOXNKOUNAHVHL-SFHVURJKSA-N 1 2 339.399 0.670 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3nccn4ccnc34)C2)C1 ZINC000972558172 736759507 /nfs/dbraw/zinc/75/95/07/736759507.db2.gz XJOXNKOUNAHVHL-SFHVURJKSA-N 1 2 339.399 0.670 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3Cc4ccccc4CO3)[C@H]2C1 ZINC001083262546 737061302 /nfs/dbraw/zinc/06/13/02/737061302.db2.gz ZTTYTIJSLDWIOC-OKZBNKHCSA-N 1 2 326.396 0.673 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3Cc4ccccc4CO3)[C@H]2C1 ZINC001083262546 737061305 /nfs/dbraw/zinc/06/13/05/737061305.db2.gz ZTTYTIJSLDWIOC-OKZBNKHCSA-N 1 2 326.396 0.673 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3nnc(C)o3)C2)nn1 ZINC001023637447 737123843 /nfs/dbraw/zinc/12/38/43/737123843.db2.gz LXXFTKQBKJTFEV-ZDUSSCGKSA-N 1 2 345.407 0.798 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3nnc(C)o3)C2)nn1 ZINC001023637447 737123847 /nfs/dbraw/zinc/12/38/47/737123847.db2.gz LXXFTKQBKJTFEV-ZDUSSCGKSA-N 1 2 345.407 0.798 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3conc3COC)C2)C1 ZINC000972634376 737184691 /nfs/dbraw/zinc/18/46/91/737184691.db2.gz KJBUCOFSVDDJMH-KRWDZBQOSA-N 1 2 333.388 0.761 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3conc3COC)C2)C1 ZINC000972634376 737184692 /nfs/dbraw/zinc/18/46/92/737184692.db2.gz KJBUCOFSVDDJMH-KRWDZBQOSA-N 1 2 333.388 0.761 20 30 ECEDLO N#Cc1cccnc1NCCN(CCO)C(=O)CCCn1cc[nH+]c1 ZINC001111484562 737304205 /nfs/dbraw/zinc/30/42/05/737304205.db2.gz HIJRWCQKEFSIRN-UHFFFAOYSA-N 1 2 342.403 0.863 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4n[nH]nc4c3)C2)C1 ZINC000972669422 737315913 /nfs/dbraw/zinc/31/59/13/737315913.db2.gz MPUCMGJLHRRPIA-SFHVURJKSA-N 1 2 339.399 0.898 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4n[nH]nc4c3)C2)C1 ZINC000972669422 737315914 /nfs/dbraw/zinc/31/59/14/737315914.db2.gz MPUCMGJLHRRPIA-SFHVURJKSA-N 1 2 339.399 0.898 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCN3CCCC3=O)C2)C1 ZINC000972675477 737348485 /nfs/dbraw/zinc/34/84/85/737348485.db2.gz YLZKOGDEMGWERY-SFHVURJKSA-N 1 2 333.432 0.326 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCN3CCCC3=O)C2)C1 ZINC000972675477 737348487 /nfs/dbraw/zinc/34/84/87/737348487.db2.gz YLZKOGDEMGWERY-SFHVURJKSA-N 1 2 333.432 0.326 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)cs3)C2)C1 ZINC000972693733 737400523 /nfs/dbraw/zinc/40/05/23/737400523.db2.gz IPRLBTWMLVMBHR-KRWDZBQOSA-N 1 2 347.440 0.787 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)cs3)C2)C1 ZINC000972693733 737400526 /nfs/dbraw/zinc/40/05/26/737400526.db2.gz IPRLBTWMLVMBHR-KRWDZBQOSA-N 1 2 347.440 0.787 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001024336784 737904098 /nfs/dbraw/zinc/90/40/98/737904098.db2.gz AILOFYJAZNPQOY-NWANDNLSSA-N 1 2 346.431 0.346 20 30 ECEDLO C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCCS1(=O)=O ZINC001024478185 738006278 /nfs/dbraw/zinc/00/62/78/738006278.db2.gz SIFWTXYPFOHXBT-CABCVRRESA-N 1 2 326.462 0.948 20 30 ECEDLO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCCS1(=O)=O ZINC001024478185 738006280 /nfs/dbraw/zinc/00/62/80/738006280.db2.gz SIFWTXYPFOHXBT-CABCVRRESA-N 1 2 326.462 0.948 20 30 ECEDLO CN1C[C@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)CC1=O ZINC001038311927 738234906 /nfs/dbraw/zinc/23/49/06/738234906.db2.gz QHMIGLBLPSRWII-VXGBXAGGSA-N 1 2 332.429 0.789 20 30 ECEDLO CN1C[C@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)CC1=O ZINC001038311927 738234910 /nfs/dbraw/zinc/23/49/10/738234910.db2.gz QHMIGLBLPSRWII-VXGBXAGGSA-N 1 2 332.429 0.789 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001024902727 738383652 /nfs/dbraw/zinc/38/36/52/738383652.db2.gz ZBBVNNILBPNNCN-TZMCWYRMSA-N 1 2 342.403 0.653 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)CC2CC(OCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006313 790305929 /nfs/dbraw/zinc/30/59/29/790305929.db2.gz PHXLSDQUIQLVFT-FJBKBRRZSA-N 1 2 331.420 0.458 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CC2CC(OCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006313 790305933 /nfs/dbraw/zinc/30/59/33/790305933.db2.gz PHXLSDQUIQLVFT-FJBKBRRZSA-N 1 2 331.420 0.458 20 30 ECEDLO CN(C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)c1ccnc(C#N)n1 ZINC001058695146 740584434 /nfs/dbraw/zinc/58/44/34/740584434.db2.gz QWJALLMPVWSSIH-ZDUSSCGKSA-N 1 2 339.403 0.989 20 30 ECEDLO C[C@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001104871059 740772463 /nfs/dbraw/zinc/77/24/63/740772463.db2.gz HVRCOHVJDRTMGJ-IJLUTSLNSA-N 1 2 325.376 0.556 20 30 ECEDLO C[C@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001104871059 740772466 /nfs/dbraw/zinc/77/24/66/740772466.db2.gz HVRCOHVJDRTMGJ-IJLUTSLNSA-N 1 2 325.376 0.556 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000974324087 741314861 /nfs/dbraw/zinc/31/48/61/741314861.db2.gz BVHJIJSOKTVOLU-OSRDXIQISA-N 1 2 332.404 0.317 20 30 ECEDLO CC(=O)N1CC(n2cc(C[NH2+]CC#Cc3ccc(F)cc3)nn2)C1 ZINC001105133150 741404946 /nfs/dbraw/zinc/40/49/46/741404946.db2.gz REVVXNSVPWPLRJ-UHFFFAOYSA-N 1 2 327.363 0.962 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)noc3CCC)C2)nn1 ZINC001105238029 741524570 /nfs/dbraw/zinc/52/45/70/741524570.db2.gz HFNMYSRTKCZQPR-UHFFFAOYSA-N 1 2 342.403 0.947 20 30 ECEDLO C#CCNCc1cn(C2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)nn1 ZINC001105240667 741534930 /nfs/dbraw/zinc/53/49/30/741534930.db2.gz XLUUNSOMKYEYNU-UHFFFAOYSA-N 1 2 349.398 0.654 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc[nH]c3)C2)nn1 ZINC001105247203 741547772 /nfs/dbraw/zinc/54/77/72/741547772.db2.gz UMFICQSHLPZSAJ-UHFFFAOYSA-N 1 2 328.376 0.043 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(=O)NC)nn2)C1 ZINC001105249622 741558670 /nfs/dbraw/zinc/55/86/70/741558670.db2.gz YULZTPVTIKGGQL-LBPRGKRZSA-N 1 2 348.451 0.488 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c4c[nH]nc4ccc3C)C2)nn1 ZINC001105275633 741622266 /nfs/dbraw/zinc/62/22/66/741622266.db2.gz WZVSMJOWAGMNPM-UHFFFAOYSA-N 1 2 349.398 0.883 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)Cn3nc(C)cc3C)C2)nn1 ZINC001105278493 741633557 /nfs/dbraw/zinc/63/35/57/741633557.db2.gz GNNBIKMCUGFDIA-UHFFFAOYSA-N 1 2 341.419 0.288 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(Cl)n(C)n3)C2)nn1 ZINC001105278438 741633625 /nfs/dbraw/zinc/63/36/25/741633625.db2.gz DCUGMAPKBFXITO-UHFFFAOYSA-N 1 2 333.783 0.085 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3cncc(C)c3)C2)nn1 ZINC001105278895 741634913 /nfs/dbraw/zinc/63/49/13/741634913.db2.gz XVVOLMZBRFNXHR-UHFFFAOYSA-N 1 2 338.415 0.720 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc4[nH]ccc4n3)C2)nn1 ZINC001105281012 741639653 /nfs/dbraw/zinc/63/96/53/741639653.db2.gz POUYDIJRIHYLGS-UHFFFAOYSA-N 1 2 349.398 0.964 20 30 ECEDLO C=C1CCC(C(=O)N(CCO)CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001058726969 741660906 /nfs/dbraw/zinc/66/09/06/741660906.db2.gz SOHFUELDGQEMDN-UHFFFAOYSA-N 1 2 334.420 0.636 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3ccccn3)C2)nn1 ZINC001105296960 741674015 /nfs/dbraw/zinc/67/40/15/741674015.db2.gz DOEIJICVAOOWIC-UHFFFAOYSA-N 1 2 338.415 0.802 20 30 ECEDLO C#CCC[NH2+]Cc1cn(C2CN(C(=O)c3cc(CCC)[nH]n3)C2)nn1 ZINC001105297755 741676173 /nfs/dbraw/zinc/67/61/73/741676173.db2.gz VARWZSZFLPULPW-UHFFFAOYSA-N 1 2 341.419 0.764 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC(n2cc(C[NH2+]CC(=O)N(C)C)nn2)C1 ZINC001105299304 741681511 /nfs/dbraw/zinc/68/15/11/741681511.db2.gz QKTXFKPLGMYLBQ-UHFFFAOYSA-N 1 2 348.451 0.442 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CC(n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001105309883 741718980 /nfs/dbraw/zinc/71/89/80/741718980.db2.gz HBVSMICKBAVNQO-GFCCVEGCSA-N 1 2 334.424 0.099 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CC[C@H](C)O3)C2)nn1 ZINC001105317013 741750830 /nfs/dbraw/zinc/75/08/30/741750830.db2.gz DBRWTBFWAKIEDY-BBRMVZONSA-N 1 2 331.420 0.732 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CC(n2cc(C[NH2+][C@H](C)C(=O)NC)nn2)C1 ZINC001105318589 741763161 /nfs/dbraw/zinc/76/31/61/741763161.db2.gz GSTYXAPNVBJHSJ-PXAZEXFGSA-N 1 2 348.451 0.488 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCOC[C@@H]3C)C2)nn1 ZINC001105322597 741781954 /nfs/dbraw/zinc/78/19/54/741781954.db2.gz WVUWBNVOYFVMDW-XJKSGUPXSA-N 1 2 331.420 0.447 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccn(C)c3CC)C2)nn1 ZINC001105327062 741808237 /nfs/dbraw/zinc/80/82/37/741808237.db2.gz QUQLVJNZMSQPQZ-UHFFFAOYSA-N 1 2 326.404 0.599 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3CC)C2)nn1 ZINC001105329896 741832087 /nfs/dbraw/zinc/83/20/87/741832087.db2.gz CVRSVPQWZMCQPI-IUODEOHRSA-N 1 2 346.435 0.099 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2cnnn2C)CC1(C)C ZINC000974686414 742002135 /nfs/dbraw/zinc/00/21/35/742002135.db2.gz NUCFQPOPJXCEQH-HOTGVXAUSA-N 1 2 344.463 0.239 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2cnnn2C)CC1(C)C ZINC000974686414 742002140 /nfs/dbraw/zinc/00/21/40/742002140.db2.gz NUCFQPOPJXCEQH-HOTGVXAUSA-N 1 2 344.463 0.239 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nonc2C)CC1(C)C ZINC000974686487 742002194 /nfs/dbraw/zinc/00/21/94/742002194.db2.gz PCMYGGXYSFLVCY-JKSUJKDBSA-N 1 2 345.447 0.802 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nonc2C)CC1(C)C ZINC000974686487 742002197 /nfs/dbraw/zinc/00/21/97/742002197.db2.gz PCMYGGXYSFLVCY-JKSUJKDBSA-N 1 2 345.447 0.802 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](CNc1ccnc(C#N)n1)C(C)(C)C ZINC001125964758 742149116 /nfs/dbraw/zinc/14/91/16/742149116.db2.gz TYXXURZPWZZZNS-ZDUSSCGKSA-N 1 2 341.419 0.987 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC000974775189 742174754 /nfs/dbraw/zinc/17/47/54/742174754.db2.gz BVNMXLMNSOHIGH-UMVBOHGHSA-N 1 2 329.404 0.572 20 30 ECEDLO CC1(C)CN(CC#N)C[C@H]1NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000974964552 742417721 /nfs/dbraw/zinc/41/77/21/742417721.db2.gz WJBLHKUNYBUKOR-JKSUJKDBSA-N 1 2 334.464 0.980 20 30 ECEDLO CC1(C)CN(CC#N)C[C@H]1NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000974964552 742417725 /nfs/dbraw/zinc/41/77/25/742417725.db2.gz WJBLHKUNYBUKOR-JKSUJKDBSA-N 1 2 334.464 0.980 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 ZINC001075751596 743063389 /nfs/dbraw/zinc/06/33/89/743063389.db2.gz OTZCRMRODUQSIV-GARJFASQSA-N 1 2 344.209 0.536 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)[C@@H]2C1 ZINC001075751596 743063397 /nfs/dbraw/zinc/06/33/97/743063397.db2.gz OTZCRMRODUQSIV-GARJFASQSA-N 1 2 344.209 0.536 20 30 ECEDLO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)C1 ZINC000975697250 743230930 /nfs/dbraw/zinc/23/09/30/743230930.db2.gz IDSJRRCMKZWTTI-YESZJQIVSA-N 1 2 345.443 0.180 20 30 ECEDLO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)C1 ZINC000975697250 743230936 /nfs/dbraw/zinc/23/09/36/743230936.db2.gz IDSJRRCMKZWTTI-YESZJQIVSA-N 1 2 345.443 0.180 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)cn1 ZINC000997102307 743237856 /nfs/dbraw/zinc/23/78/56/743237856.db2.gz PIGZSEABCMJGLV-CQSZACIVSA-N 1 2 349.394 0.463 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)cn1 ZINC000997104030 743240927 /nfs/dbraw/zinc/24/09/27/743240927.db2.gz OGLXXFUAEGYSAY-GFCCVEGCSA-N 1 2 337.383 0.605 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)cn1 ZINC000997104030 743240932 /nfs/dbraw/zinc/24/09/32/743240932.db2.gz OGLXXFUAEGYSAY-GFCCVEGCSA-N 1 2 337.383 0.605 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC000975817035 743331462 /nfs/dbraw/zinc/33/14/62/743331462.db2.gz YWBCYZBSKGSCAG-IPYPFGDCSA-N 1 2 329.404 0.572 20 30 ECEDLO C#CCNCc1cn(C2CN(C(=O)CCCn3cc[nH+]c3)C2)nn1 ZINC001105380745 743387809 /nfs/dbraw/zinc/38/78/09/743387809.db2.gz DZAMTCHBNNQPSS-UHFFFAOYSA-N 1 2 327.392 0.061 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H](n2cc(C[NH2+]CC(=O)N(C)C)nn2)C1 ZINC001098694629 743449777 /nfs/dbraw/zinc/44/97/77/743449777.db2.gz GARKURXEDWWMDX-AWEZNQCLSA-N 1 2 348.451 0.442 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 ZINC000976326521 743824748 /nfs/dbraw/zinc/82/47/48/743824748.db2.gz GSYJLUXHDHVWDK-ATCWAGBWSA-N 1 2 338.371 0.347 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C(=O)C(C)(C)C)C[C@H]21 ZINC000976743037 744278847 /nfs/dbraw/zinc/27/88/47/744278847.db2.gz VQUVNUGEKUMXDG-LJISPDSOSA-N 1 2 345.443 0.272 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C(=O)C(C)(C)C)C[C@H]21 ZINC000976743037 744278850 /nfs/dbraw/zinc/27/88/50/744278850.db2.gz VQUVNUGEKUMXDG-LJISPDSOSA-N 1 2 345.443 0.272 20 30 ECEDLO COCc1noc(C[NH2+][C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000998850598 744371115 /nfs/dbraw/zinc/37/11/15/744371115.db2.gz UAPZSZVTAJYSSL-GFCCVEGCSA-N 1 2 344.375 0.810 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2c[nH+]cn2C)nc1 ZINC000976868278 744424434 /nfs/dbraw/zinc/42/44/34/744424434.db2.gz LVHWRXARCCYAEL-HWWDLCQESA-N 1 2 349.394 0.226 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3ncoc3C)C2)C1=O ZINC001006873170 751924383 /nfs/dbraw/zinc/92/43/83/751924383.db2.gz UPPLJPBNOALSCS-KGLIPLIRSA-N 1 2 332.404 0.964 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3ncoc3C)C2)C1=O ZINC001006873170 751924387 /nfs/dbraw/zinc/92/43/87/751924387.db2.gz UPPLJPBNOALSCS-KGLIPLIRSA-N 1 2 332.404 0.964 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnsn3)C2)nn1 ZINC001098625764 744527294 /nfs/dbraw/zinc/52/72/94/744527294.db2.gz HOUGZZYXMOEWTG-LBPRGKRZSA-N 1 2 331.405 0.330 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC000977058216 744626364 /nfs/dbraw/zinc/62/63/64/744626364.db2.gz VHCRTEUEKSVOTH-HWWDLCQESA-N 1 2 334.379 0.820 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3nnc[nH]3)C(C)(C)C2)C1=O ZINC000977354884 744891128 /nfs/dbraw/zinc/89/11/28/744891128.db2.gz JDAJDDQWFIERRS-NEPJUHHUSA-N 1 2 332.408 0.032 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3nnc[nH]3)C(C)(C)C2)C1=O ZINC000977354884 744891130 /nfs/dbraw/zinc/89/11/30/744891130.db2.gz JDAJDDQWFIERRS-NEPJUHHUSA-N 1 2 332.408 0.032 20 30 ECEDLO Cn1ccc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@@H]2O)c1 ZINC001083405987 744951633 /nfs/dbraw/zinc/95/16/33/744951633.db2.gz LAWJEZWUIINCAN-MSOLQXFVSA-N 1 2 341.386 0.991 20 30 ECEDLO Cn1ccc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]2O)c1 ZINC001083405987 744951636 /nfs/dbraw/zinc/95/16/36/744951636.db2.gz LAWJEZWUIINCAN-MSOLQXFVSA-N 1 2 341.386 0.991 20 30 ECEDLO Cc1nc(N(C)C)nc(N[C@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)[nH+]1 ZINC001059177530 744953107 /nfs/dbraw/zinc/95/31/07/744953107.db2.gz YBTYRBMXXSTFGP-HAQNSBGRSA-N 1 2 340.391 0.819 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CN2CCC(=O)NC2=O)C(C)(C)C1 ZINC000977449998 745005786 /nfs/dbraw/zinc/00/57/86/745005786.db2.gz OZRHHJUMUBACQD-NSHDSACASA-N 1 2 342.827 0.507 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CN2CCC(=O)NC2=O)C(C)(C)C1 ZINC000977449998 745005794 /nfs/dbraw/zinc/00/57/94/745005794.db2.gz OZRHHJUMUBACQD-NSHDSACASA-N 1 2 342.827 0.507 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001000033652 745207526 /nfs/dbraw/zinc/20/75/26/745207526.db2.gz PWFFMMRPBPAUGZ-IPYPFGDCSA-N 1 2 344.415 0.748 20 30 ECEDLO C#CCCCCCC(=O)N1CC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098698485 745314564 /nfs/dbraw/zinc/31/45/64/745314564.db2.gz USVCSNUDAOZXAC-HNNXBMFYSA-N 1 2 346.435 0.210 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)Cc3ccc(C)o3)[C@@H](O)C2)C1=O ZINC001083415016 745561716 /nfs/dbraw/zinc/56/17/16/745561716.db2.gz JKYCAXOGEKTXFS-OAGGEKHMSA-N 1 2 347.415 0.079 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)Cc3ccc(C)o3)[C@@H](O)C2)C1=O ZINC001083415016 745561718 /nfs/dbraw/zinc/56/17/18/745561718.db2.gz JKYCAXOGEKTXFS-OAGGEKHMSA-N 1 2 347.415 0.079 20 30 ECEDLO CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000977913903 745667756 /nfs/dbraw/zinc/66/77/56/745667756.db2.gz UBWONNYMWLTFMC-JKSUJKDBSA-N 1 2 340.427 0.918 20 30 ECEDLO Cn1ncc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)n1 ZINC000977961666 745721930 /nfs/dbraw/zinc/72/19/30/745721930.db2.gz JIBFINGVVWNETN-ZSOGYDGISA-N 1 2 325.376 0.123 20 30 ECEDLO Cn1ncc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)n1 ZINC000977961666 745721935 /nfs/dbraw/zinc/72/19/35/745721935.db2.gz JIBFINGVVWNETN-ZSOGYDGISA-N 1 2 325.376 0.123 20 30 ECEDLO COCCN(CCNC(=O)Cc1c[nH]c[nH+]1)c1ncc(C#N)cc1F ZINC001126524577 745734076 /nfs/dbraw/zinc/73/40/76/745734076.db2.gz UKPDRTHSCSIMFG-UHFFFAOYSA-N 1 2 346.366 0.627 20 30 ECEDLO CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000984104954 745836253 /nfs/dbraw/zinc/83/62/53/745836253.db2.gz UATMCWQSQZTWBL-ZDUSSCGKSA-N 1 2 340.387 0.915 20 30 ECEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCNC2=O)CC1 ZINC001001039145 746002254 /nfs/dbraw/zinc/00/22/54/746002254.db2.gz JBYWFMDLNMZJCN-GFCCVEGCSA-N 1 2 342.237 0.779 20 30 ECEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCNC2=O)CC1 ZINC001001039145 746002259 /nfs/dbraw/zinc/00/22/59/746002259.db2.gz JBYWFMDLNMZJCN-GFCCVEGCSA-N 1 2 342.237 0.779 20 30 ECEDLO CCn1nncc1C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001007031491 752054625 /nfs/dbraw/zinc/05/46/25/752054625.db2.gz VTYMSVCFVIROAC-CYBMUJFWSA-N 1 2 327.392 0.892 20 30 ECEDLO CCn1nncc1C[N@H+]1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001007031491 752054632 /nfs/dbraw/zinc/05/46/32/752054632.db2.gz VTYMSVCFVIROAC-CYBMUJFWSA-N 1 2 327.392 0.892 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)[C@@H]1C ZINC001088576011 752068697 /nfs/dbraw/zinc/06/86/97/752068697.db2.gz RNBJXMINIATKMU-OJLVUWQFSA-N 1 2 333.436 0.875 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)[C@@H]1C ZINC001088576011 752068703 /nfs/dbraw/zinc/06/87/03/752068703.db2.gz RNBJXMINIATKMU-OJLVUWQFSA-N 1 2 333.436 0.875 20 30 ECEDLO C[C@@H](c1nnnn1C)[NH+]1CCC(CNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001001287129 746247466 /nfs/dbraw/zinc/24/74/66/746247466.db2.gz YNECNPNHFPUQMA-NSHDSACASA-N 1 2 342.407 0.613 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccn(C)n3)[C@@H]2CC)nn1 ZINC001087753884 746286387 /nfs/dbraw/zinc/28/63/87/746286387.db2.gz CLPMTAZVHUEJIR-GOEBONIOSA-N 1 2 343.435 0.981 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccn(C)n3)[C@@H]2CC)nn1 ZINC001087753884 746286391 /nfs/dbraw/zinc/28/63/91/746286391.db2.gz CLPMTAZVHUEJIR-GOEBONIOSA-N 1 2 343.435 0.981 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)[C@H]1CC ZINC001087758151 746291615 /nfs/dbraw/zinc/29/16/15/746291615.db2.gz DJGXXKDOKZCMDM-YNEHKIRRSA-N 1 2 349.884 0.742 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCN(C)S2(=O)=O)[C@H]1CC ZINC001087758151 746291620 /nfs/dbraw/zinc/29/16/20/746291620.db2.gz DJGXXKDOKZCMDM-YNEHKIRRSA-N 1 2 349.884 0.742 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000984364847 746351085 /nfs/dbraw/zinc/35/10/85/746351085.db2.gz LZCIAZWGNZLYKK-OAGGEKHMSA-N 1 2 346.431 0.924 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2CC)C1=O ZINC001087829585 746438431 /nfs/dbraw/zinc/43/84/31/746438431.db2.gz LZQXUMLIHXWVQG-BBWFWOEESA-N 1 2 348.491 0.838 20 30 ECEDLO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)Cc3c[nH]cn3)C2)nn1 ZINC001105340669 746760210 /nfs/dbraw/zinc/76/02/10/746760210.db2.gz KFKGOGKWOTWQSQ-GFCCVEGCSA-N 1 2 329.408 0.539 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nnc(C)[nH]3)C[C@H]21 ZINC000978837561 746762712 /nfs/dbraw/zinc/76/27/12/746762712.db2.gz HFZPHACCPHYTKG-JGFGOLAASA-N 1 2 345.447 0.888 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3nnc(C)[nH]3)C[C@H]21 ZINC000978837561 746762714 /nfs/dbraw/zinc/76/27/14/746762714.db2.gz HFZPHACCPHYTKG-JGFGOLAASA-N 1 2 345.447 0.888 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000984705708 746851199 /nfs/dbraw/zinc/85/11/99/746851199.db2.gz KKBBTNNUVXXSAQ-AWEZNQCLSA-N 1 2 340.387 0.915 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C1CC1 ZINC001029480777 746898639 /nfs/dbraw/zinc/89/86/39/746898639.db2.gz KKRIMMLIMGSXPY-TWMKSMIVSA-N 1 2 347.459 0.874 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C1CC1 ZINC001029480777 746898648 /nfs/dbraw/zinc/89/86/48/746898648.db2.gz KKRIMMLIMGSXPY-TWMKSMIVSA-N 1 2 347.459 0.874 20 30 ECEDLO CO[C@@H]1C[N@H+](Cc2cncc(C)c2)C[C@H]1NC(=O)CSCC#N ZINC001211888724 747127425 /nfs/dbraw/zinc/12/74/25/747127425.db2.gz MGQURZGQBBHTSC-HUUCEWRRSA-N 1 2 334.445 0.962 20 30 ECEDLO CO[C@@H]1C[N@@H+](Cc2cncc(C)c2)C[C@H]1NC(=O)CSCC#N ZINC001211888724 747127430 /nfs/dbraw/zinc/12/74/30/747127430.db2.gz MGQURZGQBBHTSC-HUUCEWRRSA-N 1 2 334.445 0.962 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3cncnc3)C2)C1=O ZINC001007177073 752160257 /nfs/dbraw/zinc/16/02/57/752160257.db2.gz JVTGLEPKJKQVLN-GJZGRUSLSA-N 1 2 329.404 0.458 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cncnc3)C2)C1=O ZINC001007177073 752160260 /nfs/dbraw/zinc/16/02/60/752160260.db2.gz JVTGLEPKJKQVLN-GJZGRUSLSA-N 1 2 329.404 0.458 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001002409343 747311907 /nfs/dbraw/zinc/31/19/07/747311907.db2.gz NIEKCTKOQRRDEI-NHYWBVRUSA-N 1 2 344.419 0.524 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001002409343 747311913 /nfs/dbraw/zinc/31/19/13/747311913.db2.gz NIEKCTKOQRRDEI-NHYWBVRUSA-N 1 2 344.419 0.524 20 30 ECEDLO C[C@@H]([NH2+]Cc1cnsn1)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979294315 747555702 /nfs/dbraw/zinc/55/57/02/747555702.db2.gz OMWKAKPPZAKIRY-QMTHXVAHSA-N 1 2 346.416 0.757 20 30 ECEDLO CCc1noc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC000979320314 747604921 /nfs/dbraw/zinc/60/49/21/747604921.db2.gz SQCMADWOPCZBGL-JSGCOSHPSA-N 1 2 332.404 0.751 20 30 ECEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)C#CC2CC2)C3)C1 ZINC001007231969 752211630 /nfs/dbraw/zinc/21/16/30/752211630.db2.gz OLZVSDAXIXCZTN-FCEWJHQRSA-N 1 2 345.443 0.228 20 30 ECEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2CN(C(=O)C#CC2CC2)C3)C1 ZINC001007231969 752211636 /nfs/dbraw/zinc/21/16/36/752211636.db2.gz OLZVSDAXIXCZTN-FCEWJHQRSA-N 1 2 345.443 0.228 20 30 ECEDLO C#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)C3=NC(=O)N(C)C3)CC2)C1 ZINC001088236850 747835852 /nfs/dbraw/zinc/83/58/52/747835852.db2.gz FEHGCKAPDSCWGR-OAHLLOKOSA-N 1 2 346.431 0.702 20 30 ECEDLO C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)C3=NC(=O)N(C)C3)CC2)C1 ZINC001088236850 747835860 /nfs/dbraw/zinc/83/58/60/747835860.db2.gz FEHGCKAPDSCWGR-OAHLLOKOSA-N 1 2 346.431 0.702 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nc1 ZINC001002856599 747884693 /nfs/dbraw/zinc/88/46/93/747884693.db2.gz KAOKMNRWRYEGCQ-HUUCEWRRSA-N 1 2 349.394 0.778 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nc1 ZINC001002856599 747884698 /nfs/dbraw/zinc/88/46/98/747884698.db2.gz KAOKMNRWRYEGCQ-HUUCEWRRSA-N 1 2 349.394 0.778 20 30 ECEDLO Cn1ncnc1C[N@H+](C)C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000985392903 747890870 /nfs/dbraw/zinc/89/08/70/747890870.db2.gz YWSASFLDTWTDMY-UHFFFAOYSA-N 1 2 327.392 0.751 20 30 ECEDLO Cn1ncnc1C[N@@H+](C)C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000985392903 747890881 /nfs/dbraw/zinc/89/08/81/747890881.db2.gz YWSASFLDTWTDMY-UHFFFAOYSA-N 1 2 327.392 0.751 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001088239922 747934578 /nfs/dbraw/zinc/93/45/78/747934578.db2.gz KVXULJYOUOWRHX-MRXNPFEDSA-N 1 2 345.447 0.700 20 30 ECEDLO CC#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001088239922 747934581 /nfs/dbraw/zinc/93/45/81/747934581.db2.gz KVXULJYOUOWRHX-MRXNPFEDSA-N 1 2 345.447 0.700 20 30 ECEDLO CCCCn1nnnc1C[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC001029677367 748040792 /nfs/dbraw/zinc/04/07/92/748040792.db2.gz KXZRACYBIIIJEI-ZIAGYGMSSA-N 1 2 333.440 0.913 20 30 ECEDLO CCCCn1nnnc1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC001029677367 748040799 /nfs/dbraw/zinc/04/07/99/748040799.db2.gz KXZRACYBIIIJEI-ZIAGYGMSSA-N 1 2 333.440 0.913 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001059561578 748429636 /nfs/dbraw/zinc/42/96/36/748429636.db2.gz YLJKMJOTJYROQB-HUUCEWRRSA-N 1 2 346.431 0.735 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](n2cc(C[NH2+]CC#CC)nn2)C1 ZINC001098728986 748744284 /nfs/dbraw/zinc/74/42/84/748744284.db2.gz XWTRUUOGNBSVHL-ZACQAIPSSA-N 1 2 343.431 0.756 20 30 ECEDLO C=CCO[C@H](C)C(=O)N(C)CCN(C)c1[nH+]cnc2c1cnn2C ZINC001105421864 748946009 /nfs/dbraw/zinc/94/60/09/748946009.db2.gz FRKJTCUJTAFSDO-GFCCVEGCSA-N 1 2 332.408 0.849 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2ccoc2)[C@H](OC)C1 ZINC001212166130 761906504 /nfs/dbraw/zinc/90/65/04/761906504.db2.gz TYAHANSVFJRARE-BPLDGKMQSA-N 1 2 335.404 0.328 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2ccoc2)[C@H](OC)C1 ZINC001212166130 761906507 /nfs/dbraw/zinc/90/65/07/761906507.db2.gz TYAHANSVFJRARE-BPLDGKMQSA-N 1 2 335.404 0.328 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001088385253 748999006 /nfs/dbraw/zinc/99/90/06/748999006.db2.gz DCGGPKSWBMZXPX-KFWWJZLASA-N 1 2 348.451 0.662 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001059648490 749108849 /nfs/dbraw/zinc/10/88/49/749108849.db2.gz UAWFPZVLUJTZGR-KBPBESRZSA-N 1 2 332.404 0.345 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)C3=CCOCC3)CC2)CC1 ZINC000985825950 749183638 /nfs/dbraw/zinc/18/36/38/749183638.db2.gz SZIBESIHJIVPGG-UHFFFAOYSA-N 1 2 348.447 0.401 20 30 ECEDLO Cn1cc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)c(=O)[nH]c1=O ZINC001004619192 749696070 /nfs/dbraw/zinc/69/60/70/749696070.db2.gz AJINTGIYFGQTSF-CQSZACIVSA-N 1 2 345.403 0.326 20 30 ECEDLO Cn1cc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)c(=O)[nH]c1=O ZINC001004619192 749696072 /nfs/dbraw/zinc/69/60/72/749696072.db2.gz AJINTGIYFGQTSF-CQSZACIVSA-N 1 2 345.403 0.326 20 30 ECEDLO C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001004691563 749756681 /nfs/dbraw/zinc/75/66/81/749756681.db2.gz VNJPTHKKWQTFFG-XHDPSFHLSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001004725100 749782967 /nfs/dbraw/zinc/78/29/67/749782967.db2.gz JVOMKFLXUPAAFT-IUODEOHRSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001004738062 749801319 /nfs/dbraw/zinc/80/13/19/749801319.db2.gz SGSOMFNSROTTHR-FZMZJTMJSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001004810928 749898558 /nfs/dbraw/zinc/89/85/58/749898558.db2.gz TYKDVFHZFBKXLD-BXUZGUMPSA-N 1 2 342.407 0.583 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CN(C(=O)C#CC3CC3)CC[C@@H]2C1 ZINC000986420690 749903191 /nfs/dbraw/zinc/90/31/91/749903191.db2.gz ADWQZWDQBQKPQB-CVEARBPZSA-N 1 2 340.427 0.683 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[N@H+](CC2CCS(=O)(=O)CC2)CC1 ZINC000980849807 750260183 /nfs/dbraw/zinc/26/01/83/750260183.db2.gz NZXJAAOKSHQZIT-ZDUSSCGKSA-N 1 2 327.450 0.505 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[N@@H+](CC2CCS(=O)(=O)CC2)CC1 ZINC000980849807 750260188 /nfs/dbraw/zinc/26/01/88/750260188.db2.gz NZXJAAOKSHQZIT-ZDUSSCGKSA-N 1 2 327.450 0.505 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(C(F)F)c3)C2)nn1 ZINC001105350250 750437974 /nfs/dbraw/zinc/43/79/74/750437974.db2.gz ZYVITXUBOYYWAB-UHFFFAOYSA-N 1 2 349.345 0.680 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCO[C@H](C)C3)C2)nn1 ZINC001105349853 750443397 /nfs/dbraw/zinc/44/33/97/750443397.db2.gz RNPDHKIIHNGVNS-KGLIPLIRSA-N 1 2 331.420 0.589 20 30 ECEDLO CC(C)C#CC(=O)NC[C@@H](O)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001105811872 762039232 /nfs/dbraw/zinc/03/92/32/762039232.db2.gz KUADXQKSJPUWBM-CYBMUJFWSA-N 1 2 331.420 0.013 20 30 ECEDLO CC(C)C#CC(=O)NC[C@@H](O)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001105811872 762039245 /nfs/dbraw/zinc/03/92/45/762039245.db2.gz KUADXQKSJPUWBM-CYBMUJFWSA-N 1 2 331.420 0.013 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nc(C)no3)[C@H]2C)nn1 ZINC000987133951 750529692 /nfs/dbraw/zinc/52/96/92/750529692.db2.gz MGMTVTZHJNFKKF-ZYHUDNBSSA-N 1 2 331.380 0.548 20 30 ECEDLO C[C@@H](NC(=O)CSCC#N)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001051428079 762053726 /nfs/dbraw/zinc/05/37/26/762053726.db2.gz UZVQCRBZQUOZRL-NEPJUHHUSA-N 1 2 335.433 0.562 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H](C)C2CN(C(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC001006106139 751020818 /nfs/dbraw/zinc/02/08/18/751020818.db2.gz SHZUITCHOIYKRP-LLVKDONJSA-N 1 2 343.391 0.007 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001059830370 751187494 /nfs/dbraw/zinc/18/74/94/751187494.db2.gz BRFYLIMDLQMNMX-HNNXBMFYSA-N 1 2 334.420 0.831 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3oc(CC)nc3C)C2)nn1 ZINC001105358365 751197210 /nfs/dbraw/zinc/19/72/10/751197210.db2.gz YELRGJGCZIHWQI-UHFFFAOYSA-N 1 2 328.376 0.557 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCC[N@H+](CC(=O)N3CCOCC3)CC2)C1 ZINC000981918296 751266608 /nfs/dbraw/zinc/26/66/08/751266608.db2.gz VRSWKXJEPUVBIW-UHFFFAOYSA-N 1 2 335.448 0.736 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCC[N@@H+](CC(=O)N3CCOCC3)CC2)C1 ZINC000981918296 751266611 /nfs/dbraw/zinc/26/66/11/751266611.db2.gz VRSWKXJEPUVBIW-UHFFFAOYSA-N 1 2 335.448 0.736 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC[N@@H+](CC(=O)NC3CC3)CC2)c1 ZINC000981923125 751270218 /nfs/dbraw/zinc/27/02/18/751270218.db2.gz KUCREECDVNDRKO-UHFFFAOYSA-N 1 2 326.400 0.489 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC[N@H+](CC(=O)NC3CC3)CC2)c1 ZINC000981923125 751270221 /nfs/dbraw/zinc/27/02/21/751270221.db2.gz KUCREECDVNDRKO-UHFFFAOYSA-N 1 2 326.400 0.489 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC[N@@H+]([C@@H]3CCN(CC)C3=O)CC2)c1 ZINC000981923264 751270921 /nfs/dbraw/zinc/27/09/21/751270921.db2.gz MWSKZACERFBQNJ-QGZVFWFLSA-N 1 2 340.427 0.832 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC[N@H+]([C@@H]3CCN(CC)C3=O)CC2)c1 ZINC000981923264 751270927 /nfs/dbraw/zinc/27/09/27/751270927.db2.gz MWSKZACERFBQNJ-QGZVFWFLSA-N 1 2 340.427 0.832 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)s2)C[C@H]1OC ZINC001212030020 752427867 /nfs/dbraw/zinc/42/78/67/752427867.db2.gz QCHDSAGKGLXSDO-ZIAGYGMSSA-N 1 2 325.434 0.970 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)s2)C[C@H]1OC ZINC001212030020 752427871 /nfs/dbraw/zinc/42/78/71/752427871.db2.gz QCHDSAGKGLXSDO-ZIAGYGMSSA-N 1 2 325.434 0.970 20 30 ECEDLO COCC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)c(C#N)c2)C[C@H]1OC ZINC001211748377 752433092 /nfs/dbraw/zinc/43/30/92/752433092.db2.gz ZDVNBBZQFVSKSY-GDBMZVCRSA-N 1 2 333.388 0.529 20 30 ECEDLO COCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)c(C#N)c2)C[C@H]1OC ZINC001211748377 752433098 /nfs/dbraw/zinc/43/30/98/752433098.db2.gz ZDVNBBZQFVSKSY-GDBMZVCRSA-N 1 2 333.388 0.529 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3[nH]cnc3CC)C2)nn1 ZINC001105367818 752464980 /nfs/dbraw/zinc/46/49/80/752464980.db2.gz BPWADGQTOVREEX-UHFFFAOYSA-N 1 2 327.392 0.374 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C3(CCOC)CCC3)C2)nn1 ZINC001105367833 752465618 /nfs/dbraw/zinc/46/56/18/752465618.db2.gz CMZZIBMMAAHHPK-UHFFFAOYSA-N 1 2 331.420 0.591 20 30 ECEDLO C=CCC(CC=C)C(=O)N1CC[C@@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098678283 752511915 /nfs/dbraw/zinc/51/19/15/752511915.db2.gz GFDMAMHRGKMFRK-OAHLLOKOSA-N 1 2 346.435 0.395 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC2CC2)[C@H](OC)C1 ZINC001211758902 752610526 /nfs/dbraw/zinc/61/05/26/752610526.db2.gz BDTMSFSHUVTBRN-HZPDHXFCSA-N 1 2 335.448 0.803 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)CC2CC2)[C@H](OC)C1 ZINC001211758902 752610532 /nfs/dbraw/zinc/61/05/32/752610532.db2.gz BDTMSFSHUVTBRN-HZPDHXFCSA-N 1 2 335.448 0.803 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCN1C(=O)C#CC1CC1 ZINC000988727554 752627425 /nfs/dbraw/zinc/62/74/25/752627425.db2.gz OFSRGRDXNDDWHE-BMFZPTHFSA-N 1 2 340.427 0.965 20 30 ECEDLO C=CCOCCCC(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1OC ZINC001212092495 752712961 /nfs/dbraw/zinc/71/29/61/752712961.db2.gz COVRIPLOEVLQAK-HZPDHXFCSA-N 1 2 336.436 0.718 20 30 ECEDLO C=CCOCCCC(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1OC ZINC001212092495 752712965 /nfs/dbraw/zinc/71/29/65/752712965.db2.gz COVRIPLOEVLQAK-HZPDHXFCSA-N 1 2 336.436 0.718 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)/C=C/c2ccco2)[C@H](OC)C1 ZINC001211787800 752737984 /nfs/dbraw/zinc/73/79/84/752737984.db2.gz PCNNJAPRYISEOE-NZXCHNHRSA-N 1 2 345.399 0.246 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)/C=C/c2ccco2)[C@H](OC)C1 ZINC001211787800 752737989 /nfs/dbraw/zinc/73/79/89/752737989.db2.gz PCNNJAPRYISEOE-NZXCHNHRSA-N 1 2 345.399 0.246 20 30 ECEDLO C[C@H](c1nnnn1C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028467578 752761143 /nfs/dbraw/zinc/76/11/43/752761143.db2.gz FOAQDSNVBOLGKP-MNOVXSKESA-N 1 2 328.380 0.223 20 30 ECEDLO C[C@H](c1nnnn1C)[N@H+]1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028467578 752761148 /nfs/dbraw/zinc/76/11/48/752761148.db2.gz FOAQDSNVBOLGKP-MNOVXSKESA-N 1 2 328.380 0.223 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC2CCCCC2)[C@H](OC)C1 ZINC001211797801 752773109 /nfs/dbraw/zinc/77/31/09/752773109.db2.gz MHDXTRXZIBQUDY-HZPDHXFCSA-N 1 2 335.448 0.522 20 30 ECEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC2CCCCC2)[C@H](OC)C1 ZINC001211797801 752773114 /nfs/dbraw/zinc/77/31/14/752773114.db2.gz MHDXTRXZIBQUDY-HZPDHXFCSA-N 1 2 335.448 0.522 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CC[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)c1 ZINC001021326481 752778778 /nfs/dbraw/zinc/77/87/78/752778778.db2.gz YSMGAGRPALKQIE-DZGCQCFKSA-N 1 2 338.371 0.456 20 30 ECEDLO N#Cc1nccc(N[C@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)n1 ZINC001058993870 752781709 /nfs/dbraw/zinc/78/17/09/752781709.db2.gz PFJOLVAEPMHDIV-OLZOCXBDSA-N 1 2 337.387 0.242 20 30 ECEDLO N#Cc1ccc(N[C@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)nn1 ZINC001058995372 752805986 /nfs/dbraw/zinc/80/59/86/752805986.db2.gz CMOXJNRIEZFGNU-OCCSQVGLSA-N 1 2 337.387 0.820 20 30 ECEDLO N#Cc1nccnc1N[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001058995666 752808229 /nfs/dbraw/zinc/80/82/29/752808229.db2.gz QTKNTQIHPLYMDU-STQMWFEESA-N 1 2 337.387 0.820 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)C#N)C2 ZINC001007947307 753112788 /nfs/dbraw/zinc/11/27/88/753112788.db2.gz VSAGRFBVZRPAEL-BNLOLNQZSA-N 1 2 329.404 0.918 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3[nH]nnc3C)C2)C1=O ZINC001008144185 753373988 /nfs/dbraw/zinc/37/39/88/753373988.db2.gz WBABLBAPYREUAS-CHWSQXEVSA-N 1 2 332.408 0.094 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3[nH]nnc3C)C2)C1=O ZINC001008144185 753373992 /nfs/dbraw/zinc/37/39/92/753373992.db2.gz WBABLBAPYREUAS-CHWSQXEVSA-N 1 2 332.408 0.094 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001008369789 753666044 /nfs/dbraw/zinc/66/60/44/753666044.db2.gz CYTMDVJKSQCGQP-LSDHHAIUSA-N 1 2 327.388 0.320 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001008369789 753666047 /nfs/dbraw/zinc/66/60/47/753666047.db2.gz CYTMDVJKSQCGQP-LSDHHAIUSA-N 1 2 327.388 0.320 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)c3cncs3)[C@@H](O)C2)c1 ZINC001083358069 753666862 /nfs/dbraw/zinc/66/68/62/753666862.db2.gz SRGATYCSPUMPEE-KGLIPLIRSA-N 1 2 328.397 0.990 20 30 ECEDLO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)c3cncs3)[C@@H](O)C2)c1 ZINC001083358069 753666868 /nfs/dbraw/zinc/66/68/68/753666868.db2.gz SRGATYCSPUMPEE-KGLIPLIRSA-N 1 2 328.397 0.990 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CC3=CCCCC3)[C@@H](O)C2)C1=O ZINC001083373353 753716684 /nfs/dbraw/zinc/71/66/84/753716684.db2.gz ALICANMVNNPUQZ-IKGGRYGDSA-N 1 2 347.459 0.825 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CC3=CCCCC3)[C@@H](O)C2)C1=O ZINC001083373353 753716690 /nfs/dbraw/zinc/71/66/90/753716690.db2.gz ALICANMVNNPUQZ-IKGGRYGDSA-N 1 2 347.459 0.825 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)c1 ZINC001008467721 753770589 /nfs/dbraw/zinc/77/05/89/753770589.db2.gz GLVQJYBXJAFESD-HUUCEWRRSA-N 1 2 340.383 0.062 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)c1 ZINC001008467721 753770595 /nfs/dbraw/zinc/77/05/95/753770595.db2.gz GLVQJYBXJAFESD-HUUCEWRRSA-N 1 2 340.383 0.062 20 30 ECEDLO C=C1CCC(C(=O)N2C[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C[C@H]2C)CC1 ZINC000989408559 753842427 /nfs/dbraw/zinc/84/24/27/753842427.db2.gz VGSSKRDDAGTJRQ-TZMCWYRMSA-N 1 2 333.436 0.934 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001008549081 753902069 /nfs/dbraw/zinc/90/20/69/753902069.db2.gz AKSPKMHDBSDPFU-XHSDSOJGSA-N 1 2 326.400 0.760 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001008549081 753902071 /nfs/dbraw/zinc/90/20/71/753902071.db2.gz AKSPKMHDBSDPFU-XHSDSOJGSA-N 1 2 326.400 0.760 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3nnc(CC)o3)C[C@H]2C)nn1 ZINC000989536029 754079414 /nfs/dbraw/zinc/07/94/14/754079414.db2.gz HOCUUSLJMXPVOV-VXGBXAGGSA-N 1 2 345.407 0.802 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3nc(CC)no3)C[C@@H]2C)nn1 ZINC000989537120 754081613 /nfs/dbraw/zinc/08/16/13/754081613.db2.gz RPFKTLPBNUETTC-RYUDHWBXSA-N 1 2 345.407 0.802 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cccnn3)C2)C1=O ZINC001008946358 754344369 /nfs/dbraw/zinc/34/43/69/754344369.db2.gz RIAFQRXOHGRAIK-DZGCQCFKSA-N 1 2 329.404 0.458 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cccnn3)C2)C1=O ZINC001008946358 754344378 /nfs/dbraw/zinc/34/43/78/754344378.db2.gz RIAFQRXOHGRAIK-DZGCQCFKSA-N 1 2 329.404 0.458 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3nonc3C)CC2)C1=O ZINC000989793017 754452731 /nfs/dbraw/zinc/45/27/31/754452731.db2.gz HFWVVIXRURHYHG-CYBMUJFWSA-N 1 2 333.392 0.313 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3nonc3C)CC2)C1=O ZINC000989793017 754452734 /nfs/dbraw/zinc/45/27/34/754452734.db2.gz HFWVVIXRURHYHG-CYBMUJFWSA-N 1 2 333.392 0.313 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000983068908 754549792 /nfs/dbraw/zinc/54/97/92/754549792.db2.gz XOONZQQDMBFGDL-LBPRGKRZSA-N 1 2 340.387 0.739 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000983069334 754550692 /nfs/dbraw/zinc/55/06/92/754550692.db2.gz ZMSVBPNEHRLBAH-LBPRGKRZSA-N 1 2 340.387 0.739 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N3CCC3)C2)nc1 ZINC001009244087 754702240 /nfs/dbraw/zinc/70/22/40/754702240.db2.gz AIYLYHBSKLIWRQ-OAHLLOKOSA-N 1 2 326.400 0.489 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCC3)C2)nc1 ZINC001009244087 754702242 /nfs/dbraw/zinc/70/22/42/754702242.db2.gz AIYLYHBSKLIWRQ-OAHLLOKOSA-N 1 2 326.400 0.489 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N(C)C3CC3)C2)nc1 ZINC001009255164 754713040 /nfs/dbraw/zinc/71/30/40/754713040.db2.gz USPMSTUPVQPAQS-HNNXBMFYSA-N 1 2 340.427 0.878 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N(C)C3CC3)C2)nc1 ZINC001009255164 754713044 /nfs/dbraw/zinc/71/30/44/754713044.db2.gz USPMSTUPVQPAQS-HNNXBMFYSA-N 1 2 340.427 0.878 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001009257512 754714792 /nfs/dbraw/zinc/71/47/92/754714792.db2.gz DWKZOEVMPXCRCC-UONOGXRCSA-N 1 2 344.415 0.422 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001009257512 754714795 /nfs/dbraw/zinc/71/47/95/754714795.db2.gz DWKZOEVMPXCRCC-UONOGXRCSA-N 1 2 344.415 0.422 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CCC[N@@H+]([C@H](CC)C(N)=O)C1 ZINC001009265208 754721795 /nfs/dbraw/zinc/72/17/95/754721795.db2.gz XCXHPNNUNMXHHI-UKRRQHHQSA-N 1 2 344.415 0.552 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CCC[N@H+]([C@H](CC)C(N)=O)C1 ZINC001009265208 754721797 /nfs/dbraw/zinc/72/17/97/754721797.db2.gz XCXHPNNUNMXHHI-UKRRQHHQSA-N 1 2 344.415 0.552 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000983184186 754806078 /nfs/dbraw/zinc/80/60/78/754806078.db2.gz MACOJIJXJDXXCR-MCIONIFRSA-N 1 2 332.404 0.508 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000983185636 754815696 /nfs/dbraw/zinc/81/56/96/754815696.db2.gz PSSUKRXUOOTKED-ZNMIVQPWSA-N 1 2 346.431 0.898 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H]1C ZINC000990431993 755165279 /nfs/dbraw/zinc/16/52/79/755165279.db2.gz KDFFJZMXDSRZCT-RZFFKMDDSA-N 1 2 332.404 0.649 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@@H]3CC(C)(C)CO3)C2)nn1 ZINC001098690310 755263916 /nfs/dbraw/zinc/26/39/16/755263916.db2.gz LMRFSTGYOXJOOU-JKSUJKDBSA-N 1 2 345.447 0.980 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3nc(C)no3)C2)nn1 ZINC001028851222 755307719 /nfs/dbraw/zinc/30/77/19/755307719.db2.gz JFZBVHJZUICMOH-LBPRGKRZSA-N 1 2 331.380 0.407 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3nc(C)no3)C2)nn1 ZINC001028851222 755307726 /nfs/dbraw/zinc/30/77/26/755307726.db2.gz JFZBVHJZUICMOH-LBPRGKRZSA-N 1 2 331.380 0.407 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+]([C@H](C)c3nncn3C)C2)nn1 ZINC001028852507 755311406 /nfs/dbraw/zinc/31/14/06/755311406.db2.gz KCRYYFGMVOZDIP-OLZOCXBDSA-N 1 2 344.423 0.406 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+]([C@H](C)c3nncn3C)C2)nn1 ZINC001028852507 755311411 /nfs/dbraw/zinc/31/14/11/755311411.db2.gz KCRYYFGMVOZDIP-OLZOCXBDSA-N 1 2 344.423 0.406 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3cnns3)C2)nn1 ZINC001028853127 755315355 /nfs/dbraw/zinc/31/53/55/755315355.db2.gz PPOLJCYACXHAMC-NSHDSACASA-N 1 2 333.421 0.568 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3cnns3)C2)nn1 ZINC001028853127 755315357 /nfs/dbraw/zinc/31/53/57/755315357.db2.gz PPOLJCYACXHAMC-NSHDSACASA-N 1 2 333.421 0.568 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)ncn2)C[C@@H]1O ZINC001083470766 755317953 /nfs/dbraw/zinc/31/79/53/755317953.db2.gz MMRZLWDDOGMBNX-NCOADZHNSA-N 1 2 346.431 0.428 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@@H]1O ZINC001083470766 755317958 /nfs/dbraw/zinc/31/79/58/755317958.db2.gz MMRZLWDDOGMBNX-NCOADZHNSA-N 1 2 346.431 0.428 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cnn(C)n2)C1 ZINC001028860824 755328413 /nfs/dbraw/zinc/32/84/13/755328413.db2.gz FQJDLFQSPCXOSU-BPUTZDHNSA-N 1 2 333.436 0.734 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cnn(C)n2)C1 ZINC001028860824 755328419 /nfs/dbraw/zinc/32/84/19/755328419.db2.gz FQJDLFQSPCXOSU-BPUTZDHNSA-N 1 2 333.436 0.734 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)c[nH]1 ZINC000983365104 755409975 /nfs/dbraw/zinc/40/99/75/755409975.db2.gz PNFRKUMIZXCLNS-LLVKDONJSA-N 1 2 326.360 0.430 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cn3cncc3C)[C@H]2C)C1=O ZINC001088750465 755481717 /nfs/dbraw/zinc/48/17/17/755481717.db2.gz OHDJMGKHBRAJHK-OWCLPIDISA-N 1 2 345.447 0.557 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cn3cncc3C)[C@H]2C)C1=O ZINC001088750465 755481719 /nfs/dbraw/zinc/48/17/19/755481719.db2.gz OHDJMGKHBRAJHK-OWCLPIDISA-N 1 2 345.447 0.557 20 30 ECEDLO C=C(Cl)CN1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](O)C1 ZINC001083477738 755610504 /nfs/dbraw/zinc/61/05/04/755610504.db2.gz BUIWKYRULPBEMD-KGLIPLIRSA-N 1 2 338.839 0.676 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCNC2=O)[C@H]1C ZINC001088793382 755707772 /nfs/dbraw/zinc/70/77/72/755707772.db2.gz FICRUHQPNKDLMW-VWYCJHECSA-N 1 2 330.226 0.610 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCNC2=O)[C@H]1C ZINC001088793382 755707777 /nfs/dbraw/zinc/70/77/77/755707777.db2.gz FICRUHQPNKDLMW-VWYCJHECSA-N 1 2 330.226 0.610 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cccnc2)[C@H](OC)C1 ZINC001212122452 755798960 /nfs/dbraw/zinc/79/89/60/755798960.db2.gz JLPNBYONAJUYAD-FVQBIDKESA-N 1 2 346.431 0.130 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cccnc2)[C@H](OC)C1 ZINC001212122452 755798965 /nfs/dbraw/zinc/79/89/65/755798965.db2.gz JLPNBYONAJUYAD-FVQBIDKESA-N 1 2 346.431 0.130 20 30 ECEDLO C[C@@H]1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cn1cc[nH+]c1 ZINC001010206647 755811410 /nfs/dbraw/zinc/81/14/10/755811410.db2.gz MWMSGHIHRDNHTH-OCCSQVGLSA-N 1 2 340.387 0.750 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CO[C@@H](C)CC)C2)nn1 ZINC001098659434 755819583 /nfs/dbraw/zinc/81/95/83/755819583.db2.gz PCMCOTHBQUPOPJ-HOCLYGCPSA-N 1 2 333.436 0.980 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3coc(C)n3)C2)nn1 ZINC001098659487 755827066 /nfs/dbraw/zinc/82/70/66/755827066.db2.gz QMFDSIPWZRPAQR-CQSZACIVSA-N 1 2 328.376 0.775 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C=C(CC)CC)[C@H](OC)C1 ZINC001212124814 755928275 /nfs/dbraw/zinc/92/82/75/755928275.db2.gz DNKUSQAIMKLWLG-NUEKZKHPSA-N 1 2 335.448 0.686 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C=C(CC)CC)[C@H](OC)C1 ZINC001212124814 755928278 /nfs/dbraw/zinc/92/82/78/755928278.db2.gz DNKUSQAIMKLWLG-NUEKZKHPSA-N 1 2 335.448 0.686 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3nccnc3N)C2)s1 ZINC001010389523 756075461 /nfs/dbraw/zinc/07/54/61/756075461.db2.gz NLOCGUIUPZUUEW-JTQLQIEISA-N 1 2 328.401 0.996 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3nccnc3N)C2)s1 ZINC001010389523 756075466 /nfs/dbraw/zinc/07/54/66/756075466.db2.gz NLOCGUIUPZUUEW-JTQLQIEISA-N 1 2 328.401 0.996 20 30 ECEDLO CCn1nnc(C)c1C[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001010457326 756151844 /nfs/dbraw/zinc/15/18/44/756151844.db2.gz KZXMSILHXPYIQJ-CYBMUJFWSA-N 1 2 327.392 0.811 20 30 ECEDLO CCn1nnc(C)c1C[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001010457326 756151848 /nfs/dbraw/zinc/15/18/48/756151848.db2.gz KZXMSILHXPYIQJ-CYBMUJFWSA-N 1 2 327.392 0.811 20 30 ECEDLO CN1CCOC[C@H]1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010690915 756403873 /nfs/dbraw/zinc/40/38/73/756403873.db2.gz KUAYUBSJTWYCQU-ROUUACIJSA-N 1 2 345.418 0.698 20 30 ECEDLO CN1CCOC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010690915 756403880 /nfs/dbraw/zinc/40/38/80/756403880.db2.gz KUAYUBSJTWYCQU-ROUUACIJSA-N 1 2 345.418 0.698 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CN3CN=NC3=O)C2)c(F)c1 ZINC001010696018 756410071 /nfs/dbraw/zinc/41/00/71/756410071.db2.gz FVMZZWQCGUYWQJ-ZDUSSCGKSA-N 1 2 344.350 0.385 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CN3CN=NC3=O)C2)c(F)c1 ZINC001010696018 756410075 /nfs/dbraw/zinc/41/00/75/756410075.db2.gz FVMZZWQCGUYWQJ-ZDUSSCGKSA-N 1 2 344.350 0.385 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)c2cnnn2C)C1 ZINC001010825597 756574112 /nfs/dbraw/zinc/57/41/12/756574112.db2.gz XHWJKQCMFMLUCW-AWEZNQCLSA-N 1 2 340.387 0.700 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)c2cnnn2C)C1 ZINC001010825597 756574116 /nfs/dbraw/zinc/57/41/16/756574116.db2.gz XHWJKQCMFMLUCW-AWEZNQCLSA-N 1 2 340.387 0.700 20 30 ECEDLO Cn1nncc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010828596 756576251 /nfs/dbraw/zinc/57/62/51/756576251.db2.gz INHZTQPQUMPWSE-CYBMUJFWSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1nncc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010828596 756576255 /nfs/dbraw/zinc/57/62/55/756576255.db2.gz INHZTQPQUMPWSE-CYBMUJFWSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000990889085 756663881 /nfs/dbraw/zinc/66/38/81/756663881.db2.gz YPAHGLVKRLWXKH-UHFFFAOYSA-N 1 2 326.360 0.193 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC001014331032 762500735 /nfs/dbraw/zinc/50/07/35/762500735.db2.gz RXBOILQIFVEHEC-CRAIPNDOSA-N 1 2 326.400 0.936 20 30 ECEDLO O=C(C#CC1CC1)N1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001011110822 756940636 /nfs/dbraw/zinc/94/06/36/756940636.db2.gz QPKKPIZHPNWBSU-OAHLLOKOSA-N 1 2 326.400 0.530 20 30 ECEDLO CCc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)[nH]n1 ZINC001076758812 756975257 /nfs/dbraw/zinc/97/52/57/756975257.db2.gz FBPRXJWCMYGCMB-HUUCEWRRSA-N 1 2 345.428 0.880 20 30 ECEDLO CCc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)[nH]n1 ZINC001076758812 756975265 /nfs/dbraw/zinc/97/52/65/756975265.db2.gz FBPRXJWCMYGCMB-HUUCEWRRSA-N 1 2 345.428 0.880 20 30 ECEDLO CC1(C)CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@@H]1NCC#N ZINC000996186638 757092872 /nfs/dbraw/zinc/09/28/72/757092872.db2.gz AMNZROFWZYCFBT-HOTGVXAUSA-N 1 2 334.464 0.980 20 30 ECEDLO CC1(C)CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@@H]1NCC#N ZINC000996186638 757092883 /nfs/dbraw/zinc/09/28/83/757092883.db2.gz AMNZROFWZYCFBT-HOTGVXAUSA-N 1 2 334.464 0.980 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@H]3CC3(C)C)nn2)C1 ZINC001107156574 757136104 /nfs/dbraw/zinc/13/61/04/757136104.db2.gz CNUVTNXFQFITMT-OAHLLOKOSA-N 1 2 333.436 1.000 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnn(CC)n3)C2)nn1 ZINC001098666936 757164067 /nfs/dbraw/zinc/16/40/67/757164067.db2.gz LITUKVQQESNOAN-CQSZACIVSA-N 1 2 342.407 0.090 20 30 ECEDLO O=C(C[C@H]1CCOC1)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001076823463 757272957 /nfs/dbraw/zinc/27/29/57/757272957.db2.gz BWLQHLZLAXWRPX-KBAYOESNSA-N 1 2 346.402 0.765 20 30 ECEDLO O=C(C[C@H]1CCOC1)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001076823463 757272962 /nfs/dbraw/zinc/27/29/62/757272962.db2.gz BWLQHLZLAXWRPX-KBAYOESNSA-N 1 2 346.402 0.765 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H](C)c3ccnn3C)nn2)C1 ZINC001107173041 757276147 /nfs/dbraw/zinc/27/61/47/757276147.db2.gz YSMYUQLTQIPUNE-CYBMUJFWSA-N 1 2 343.435 0.864 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CNC(=O)C3CCCC3)nn2)C1 ZINC001107173969 757282050 /nfs/dbraw/zinc/28/20/50/757282050.db2.gz LAOFWMNYZGNAGM-UHFFFAOYSA-N 1 2 346.435 0.243 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)Cc3cnn(C)c3C)nn2)C1 ZINC001107178107 757330825 /nfs/dbraw/zinc/33/08/25/757330825.db2.gz HOSFINRBIZNQIV-UHFFFAOYSA-N 1 2 341.419 0.059 20 30 ECEDLO CC1(C)CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@@H]1NCC#N ZINC000996372729 757480859 /nfs/dbraw/zinc/48/08/59/757480859.db2.gz BCCVKISQQJFPEP-HNNXBMFYSA-N 1 2 334.464 0.982 20 30 ECEDLO COc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)on1 ZINC001076910238 757535318 /nfs/dbraw/zinc/53/53/18/757535318.db2.gz FHPJPXGQIHJXAE-ZIAGYGMSSA-N 1 2 342.355 0.530 20 30 ECEDLO COc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)on1 ZINC001076910238 757535327 /nfs/dbraw/zinc/53/53/27/757535327.db2.gz FHPJPXGQIHJXAE-ZIAGYGMSSA-N 1 2 342.355 0.530 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)c3cncnc3)nn2)C1 ZINC001107200053 757589543 /nfs/dbraw/zinc/58/95/43/757589543.db2.gz VNAZMGJPSTUBBL-LBPRGKRZSA-N 1 2 327.392 0.531 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001021588770 757650709 /nfs/dbraw/zinc/65/07/09/757650709.db2.gz BROMYXFYYUUYBM-GOEBONIOSA-N 1 2 326.400 0.435 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001049000404 757653110 /nfs/dbraw/zinc/65/31/10/757653110.db2.gz PGYDCMHOSMBVBH-GJZGRUSLSA-N 1 2 332.404 0.032 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001049000404 757653118 /nfs/dbraw/zinc/65/31/18/757653118.db2.gz PGYDCMHOSMBVBH-GJZGRUSLSA-N 1 2 332.404 0.032 20 30 ECEDLO C=CCC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001049034376 757748394 /nfs/dbraw/zinc/74/83/94/757748394.db2.gz GSXUVKUZUMGAEG-KBPBESRZSA-N 1 2 334.420 0.516 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@H+](Cc4ncnn4C)C[C@@H]3C2)c1 ZINC001049047727 757774936 /nfs/dbraw/zinc/77/49/36/757774936.db2.gz RYGCDGVAELQXIU-IYBDPMFKSA-N 1 2 336.399 0.395 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ncnn4C)C[C@@H]3C2)c1 ZINC001049047727 757774942 /nfs/dbraw/zinc/77/49/42/757774942.db2.gz RYGCDGVAELQXIU-IYBDPMFKSA-N 1 2 336.399 0.395 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C(=O)N3CCC[C@H](C)C3)nn2)C1 ZINC001107217775 757824689 /nfs/dbraw/zinc/82/46/89/757824689.db2.gz ZECUTZLVCVDZCK-ZDUSSCGKSA-N 1 2 346.435 0.196 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CNC(=O)CCC(C)C)nn2)C1 ZINC001107219662 757837097 /nfs/dbraw/zinc/83/70/97/757837097.db2.gz SDRXGJRXIILAIL-UHFFFAOYSA-N 1 2 348.451 0.489 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cc(OC)ccc2OC)C1 ZINC001076988402 757857712 /nfs/dbraw/zinc/85/77/12/757857712.db2.gz GPUQIYRRAAQAQP-RKTXRCNFSA-N 1 2 344.411 0.602 20 30 ECEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cc(OC)ccc2OC)C1 ZINC001076988402 757857724 /nfs/dbraw/zinc/85/77/24/757857724.db2.gz GPUQIYRRAAQAQP-RKTXRCNFSA-N 1 2 344.411 0.602 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCCN(C)C(C)=O)nn2)C1 ZINC001107233343 757975086 /nfs/dbraw/zinc/97/50/86/757975086.db2.gz KLDUQDRFYOAPAA-UHFFFAOYSA-N 1 2 348.451 0.586 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC001011553092 757982530 /nfs/dbraw/zinc/98/25/30/757982530.db2.gz VVSVLEYZWVAEPY-UHFFFAOYSA-N 1 2 337.464 0.980 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)Cc3cncn3C)nn2)C1 ZINC001107229710 757991884 /nfs/dbraw/zinc/99/18/84/757991884.db2.gz PKKLOCMVWYJGNY-UHFFFAOYSA-N 1 2 329.408 0.303 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)COC[C@H]3CCCO3)nn2)C1 ZINC001107242003 757997870 /nfs/dbraw/zinc/99/78/70/757997870.db2.gz LQDKLGWLVBGTPZ-MRXNPFEDSA-N 1 2 349.435 0.523 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)Cc3ccc[nH]3)nn2)C1 ZINC001107238222 758030203 /nfs/dbraw/zinc/03/02/03/758030203.db2.gz MJYWBFZOGJLAKB-UHFFFAOYSA-N 1 2 344.419 0.524 20 30 ECEDLO C#CCC1(C(=O)NCc2cn(C3C[NH+](CCO)C3)nn2)CCCCC1 ZINC001107241384 758044597 /nfs/dbraw/zinc/04/45/97/758044597.db2.gz SRILJEPTMSKCNX-UHFFFAOYSA-N 1 2 345.447 0.717 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)C[C@@H]3CCCO3)nn2)C1 ZINC001107241440 758044701 /nfs/dbraw/zinc/04/47/01/758044701.db2.gz UUHJZWFGDXJFOK-YOEHRIQHSA-N 1 2 345.447 0.980 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)c1cn[nH]c(=O)c1 ZINC001077183083 758435768 /nfs/dbraw/zinc/43/57/68/758435768.db2.gz SULCDABVDALTIV-HZPDHXFCSA-N 1 2 338.367 0.009 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)c1cn[nH]c(=O)c1 ZINC001077183083 758435775 /nfs/dbraw/zinc/43/57/75/758435775.db2.gz SULCDABVDALTIV-HZPDHXFCSA-N 1 2 338.367 0.009 20 30 ECEDLO N#Cc1ccc(NC/C=C/CNC(=O)[C@H]2CCc3c[nH+]cn3C2)nn1 ZINC001107393270 758448672 /nfs/dbraw/zinc/44/86/72/758448672.db2.gz BKBACEPAEMOBSR-AORQRIRUSA-N 1 2 337.387 0.892 20 30 ECEDLO N#Cc1cncc(NC/C=C/CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)n1 ZINC001107394810 758453100 /nfs/dbraw/zinc/45/31/00/758453100.db2.gz PPYWLEFLLBNWAV-ZIYVKSGCSA-N 1 2 337.387 0.892 20 30 ECEDLO N#Cc1ccc(NC/C=C/CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)nn1 ZINC001107395358 758454337 /nfs/dbraw/zinc/45/43/37/758454337.db2.gz YMGJEHQQRQZAQV-ZIYVKSGCSA-N 1 2 337.387 0.892 20 30 ECEDLO CC#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001049321304 758516875 /nfs/dbraw/zinc/51/68/75/758516875.db2.gz LYXSJPLOQYZLLK-KBPBESRZSA-N 1 2 332.404 0.176 20 30 ECEDLO C=CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1O ZINC001049360517 758565232 /nfs/dbraw/zinc/56/52/32/758565232.db2.gz BWSVQHYNTQPXJW-VDERGJSUSA-N 1 2 346.431 0.900 20 30 ECEDLO C=CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1O ZINC001049360517 758565235 /nfs/dbraw/zinc/56/52/35/758565235.db2.gz BWSVQHYNTQPXJW-VDERGJSUSA-N 1 2 346.431 0.900 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccccc3)C2)C1=O ZINC001077242967 758590985 /nfs/dbraw/zinc/59/09/85/758590985.db2.gz SFGPZAFGHWDPPU-IXDOHACOSA-N 1 2 343.427 0.177 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccccc3)C2)C1=O ZINC001077242967 758590991 /nfs/dbraw/zinc/59/09/91/758590991.db2.gz SFGPZAFGHWDPPU-IXDOHACOSA-N 1 2 343.427 0.177 20 30 ECEDLO COCCc1noc(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)[C@@H](C)C#N)n1 ZINC001049379949 758597883 /nfs/dbraw/zinc/59/78/83/758597883.db2.gz CDUFRQMYDYNOMZ-BFHYXJOUSA-N 1 2 347.419 0.983 20 30 ECEDLO COCCc1noc(C[N@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)[C@@H](C)C#N)n1 ZINC001049379949 758597891 /nfs/dbraw/zinc/59/78/91/758597891.db2.gz CDUFRQMYDYNOMZ-BFHYXJOUSA-N 1 2 347.419 0.983 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001011855947 758775153 /nfs/dbraw/zinc/77/51/53/758775153.db2.gz LETAUEJBJNWGAQ-DGCLKSJQSA-N 1 2 326.360 0.502 20 30 ECEDLO C#CCCCC(=O)N1CC[C@H](n2cc(C[NH2+][C@@H](C)C(=O)NC)nn2)C1 ZINC001098669211 758827232 /nfs/dbraw/zinc/82/72/32/758827232.db2.gz KGWXVGVINAZFIQ-ZFWWWQNUSA-N 1 2 346.435 0.079 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)Cn3ncnn3)C2)c1 ZINC001014428175 762664903 /nfs/dbraw/zinc/66/49/03/762664903.db2.gz KZXCYYVOELLDGF-CYBMUJFWSA-N 1 2 329.339 0.075 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)Cn3ncnn3)C2)c1 ZINC001014428175 762664905 /nfs/dbraw/zinc/66/49/05/762664905.db2.gz KZXCYYVOELLDGF-CYBMUJFWSA-N 1 2 329.339 0.075 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC001022565354 758893956 /nfs/dbraw/zinc/89/39/56/758893956.db2.gz VAWYHEHRTCXDKE-RWMBFGLXSA-N 1 2 329.404 0.906 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H]1C ZINC001011943029 759015914 /nfs/dbraw/zinc/01/59/14/759015914.db2.gz MRXSZQMPXVPVHX-FZMZJTMJSA-N 1 2 340.387 0.880 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001049639838 759040340 /nfs/dbraw/zinc/04/03/40/759040340.db2.gz RKFXCRCZXYGSOH-SNPRPXQTSA-N 1 2 334.420 0.585 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC001049839780 759280202 /nfs/dbraw/zinc/28/02/02/759280202.db2.gz JYGUVIFNRXTEGV-XOKHGSTOSA-N 1 2 327.432 0.998 20 30 ECEDLO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC001049839780 759280210 /nfs/dbraw/zinc/28/02/10/759280210.db2.gz JYGUVIFNRXTEGV-XOKHGSTOSA-N 1 2 327.432 0.998 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC001049839780 759280216 /nfs/dbraw/zinc/28/02/16/759280216.db2.gz JYGUVIFNRXTEGV-XOKHGSTOSA-N 1 2 327.432 0.998 20 30 ECEDLO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC001049839780 759280224 /nfs/dbraw/zinc/28/02/24/759280224.db2.gz JYGUVIFNRXTEGV-XOKHGSTOSA-N 1 2 327.432 0.998 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)[C@@H](O)C1 ZINC001083618011 759438716 /nfs/dbraw/zinc/43/87/16/759438716.db2.gz MJHFSIJIAKMHHH-IJEWVQPXSA-N 1 2 334.803 0.828 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)[C@@H](O)C1 ZINC001083618011 759438721 /nfs/dbraw/zinc/43/87/21/759438721.db2.gz MJHFSIJIAKMHHH-IJEWVQPXSA-N 1 2 334.803 0.828 20 30 ECEDLO Cc1nc(N(C)C[C@H](O)CN(C)C(=O)c2cc(C#N)c[nH]2)cc[nH+]1 ZINC001125030150 759478949 /nfs/dbraw/zinc/47/89/49/759478949.db2.gz QGJGYKPFCJODMV-ZDUSSCGKSA-N 1 2 328.376 0.554 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CCC(OC2C[NH+](CCOCC)C2)CC1 ZINC001105708622 759662487 /nfs/dbraw/zinc/66/24/87/759662487.db2.gz RCUUFXQDGIKZPR-HNNXBMFYSA-N 1 2 338.448 0.753 20 30 ECEDLO C[C@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000945316023 760067676 /nfs/dbraw/zinc/06/76/76/760067676.db2.gz ILEPNBLHTFCWGS-BBRMVZONSA-N 1 2 328.416 0.729 20 30 ECEDLO Cn1nnnc1C[NH+]1CCC2(CN(C(=O)c3ccc(C#N)[nH]3)C2)CC1 ZINC001050488677 760347759 /nfs/dbraw/zinc/34/77/59/760347759.db2.gz GNPCCOMAINPFMI-UHFFFAOYSA-N 1 2 340.391 0.148 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1nc(-c2ccccc2)no1 ZINC001127051225 760493442 /nfs/dbraw/zinc/49/34/42/760493442.db2.gz DFYBDGRTXPPKNT-CYBMUJFWSA-N 1 2 328.372 0.981 20 30 ECEDLO C[C@@H](NC(=O)CSCC#N)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001050571877 760512609 /nfs/dbraw/zinc/51/26/09/760512609.db2.gz HMWMHHICYVDJHR-OLZOCXBDSA-N 1 2 349.460 0.952 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2ccon2)C1=O ZINC001017428320 767970220 /nfs/dbraw/zinc/97/02/20/767970220.db2.gz GNZBXPFQKMTXOC-OWCLPIDISA-N 1 2 344.415 0.679 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2ccon2)C1=O ZINC001017428320 767970221 /nfs/dbraw/zinc/97/02/21/767970221.db2.gz GNZBXPFQKMTXOC-OWCLPIDISA-N 1 2 344.415 0.679 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CNc1ccnc(C#N)n1 ZINC001054425796 767970655 /nfs/dbraw/zinc/97/06/55/767970655.db2.gz PCWXYAJXRISSSA-CHWSQXEVSA-N 1 2 339.403 0.253 20 30 ECEDLO C=CCCC(=O)N(C)[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1O ZINC001048540557 760684651 /nfs/dbraw/zinc/68/46/51/760684651.db2.gz XPZZGSNDKQRXQX-GJZGRUSLSA-N 1 2 348.447 0.923 20 30 ECEDLO Cc1nc(N(C)C)nc(NCC[C@H](C)NC(=O)CSCC#N)[nH+]1 ZINC001106230484 767992697 /nfs/dbraw/zinc/99/26/97/767992697.db2.gz MRBWOFUDQJCEOH-JTQLQIEISA-N 1 2 337.453 0.810 20 30 ECEDLO C#CCCCCC(=O)N(C)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1O ZINC001048712418 760999440 /nfs/dbraw/zinc/99/94/40/760999440.db2.gz SLODLNZNXZQSAL-HOTGVXAUSA-N 1 2 346.431 0.186 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)Cn3cc[nH+]c3)C2)nc1 ZINC001013050620 761012549 /nfs/dbraw/zinc/01/25/49/761012549.db2.gz SBLSGOSKUWOEKP-HIFRSBDPSA-N 1 2 337.383 0.679 20 30 ECEDLO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1O ZINC001048757841 761123622 /nfs/dbraw/zinc/12/36/22/761123622.db2.gz PWXUHVGSDXHVAC-GJZGRUSLSA-N 1 2 332.404 0.107 20 30 ECEDLO C#CCN1CCOC[C@H]1CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001050924664 761153405 /nfs/dbraw/zinc/15/34/05/761153405.db2.gz JEJXASFUOWVZAB-CZUORRHYSA-N 1 2 331.420 0.240 20 30 ECEDLO C#CCN1CCOC[C@H]1CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001050924664 761153410 /nfs/dbraw/zinc/15/34/10/761153410.db2.gz JEJXASFUOWVZAB-CZUORRHYSA-N 1 2 331.420 0.240 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccnn1CCOC ZINC001050970388 761248508 /nfs/dbraw/zinc/24/85/08/761248508.db2.gz DXMUTNWJEVUYRZ-HNNXBMFYSA-N 1 2 336.436 0.926 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccnn1CCOC ZINC001050970388 761248514 /nfs/dbraw/zinc/24/85/14/761248514.db2.gz DXMUTNWJEVUYRZ-HNNXBMFYSA-N 1 2 336.436 0.926 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)Cc1c[nH+]cn1C ZINC001013329782 761313846 /nfs/dbraw/zinc/31/38/46/761313846.db2.gz WMQAMIHCHPFVLQ-AAEUAGOBSA-N 1 2 340.387 0.582 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccn(CCOC)n1 ZINC001051020144 761350162 /nfs/dbraw/zinc/35/01/62/761350162.db2.gz QSAJJONEIFCVBL-OAHLLOKOSA-N 1 2 336.436 0.926 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccn(CCOC)n1 ZINC001051020144 761350171 /nfs/dbraw/zinc/35/01/71/761350171.db2.gz QSAJJONEIFCVBL-OAHLLOKOSA-N 1 2 336.436 0.926 20 30 ECEDLO C=CCN1CCOC[C@@H]1CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001051045336 761385355 /nfs/dbraw/zinc/38/53/55/761385355.db2.gz YEGYVYSHSWVXLO-DLBZAZTESA-N 1 2 337.464 0.490 20 30 ECEDLO C=CCN1CCOC[C@@H]1CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001051045336 761385364 /nfs/dbraw/zinc/38/53/64/761385364.db2.gz YEGYVYSHSWVXLO-DLBZAZTESA-N 1 2 337.464 0.490 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc2c(=O)[nH]c(C)cn2n1 ZINC001051046079 761387451 /nfs/dbraw/zinc/38/74/51/761387451.db2.gz IKWNATBKWDSCJK-ZDUSSCGKSA-N 1 2 345.403 0.338 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc2c(=O)[nH]c(C)cn2n1 ZINC001051046079 761387459 /nfs/dbraw/zinc/38/74/59/761387459.db2.gz IKWNATBKWDSCJK-ZDUSSCGKSA-N 1 2 345.403 0.338 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(-n2cncn2)nc1 ZINC001051051856 761398159 /nfs/dbraw/zinc/39/81/59/761398159.db2.gz FXYUVBFSUISFOP-HNNXBMFYSA-N 1 2 342.403 0.669 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(-n2cncn2)nc1 ZINC001051051856 761398166 /nfs/dbraw/zinc/39/81/66/761398166.db2.gz FXYUVBFSUISFOP-HNNXBMFYSA-N 1 2 342.403 0.669 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1CCC(OC2C[NH+](CCOC)C2)CC1 ZINC001105736445 761419864 /nfs/dbraw/zinc/41/98/64/761419864.db2.gz XXPXCBSDNLDJJC-AWEZNQCLSA-N 1 2 326.437 0.916 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C[C@@H]1C ZINC001013494197 761486805 /nfs/dbraw/zinc/48/68/05/761486805.db2.gz ZPEUSCHFWNKTRY-GWCFXTLKSA-N 1 2 340.387 0.880 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2COCC[N@H+]2C[C@@H](CC)OC)c1 ZINC001051107386 761503303 /nfs/dbraw/zinc/50/33/03/761503303.db2.gz SRJTYQMYDUYNSJ-DLBZAZTESA-N 1 2 331.416 0.919 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2COCC[N@@H+]2C[C@@H](CC)OC)c1 ZINC001051107386 761503307 /nfs/dbraw/zinc/50/33/07/761503307.db2.gz SRJTYQMYDUYNSJ-DLBZAZTESA-N 1 2 331.416 0.919 20 30 ECEDLO CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(C#N)[nH]2)C1=O ZINC001017484149 768051766 /nfs/dbraw/zinc/05/17/66/768051766.db2.gz YZLGGUKBJSPLLR-IJEWVQPXSA-N 1 2 341.415 0.796 20 30 ECEDLO CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(C#N)[nH]2)C1=O ZINC001017484149 768051772 /nfs/dbraw/zinc/05/17/72/768051772.db2.gz YZLGGUKBJSPLLR-IJEWVQPXSA-N 1 2 341.415 0.796 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2C[C@H](CC)OC)cn1 ZINC001051213635 761703517 /nfs/dbraw/zinc/70/35/17/761703517.db2.gz AQBZWMAHSZSFCM-SJORKVTESA-N 1 2 331.416 0.919 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2C[C@H](CC)OC)cn1 ZINC001051213635 761703521 /nfs/dbraw/zinc/70/35/21/761703521.db2.gz AQBZWMAHSZSFCM-SJORKVTESA-N 1 2 331.416 0.919 20 30 ECEDLO C[C@@H](NC(=O)C#CC1CC1)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001051259301 761782751 /nfs/dbraw/zinc/78/27/51/761782751.db2.gz JNOREWVPWKBMCR-HIFRSBDPSA-N 1 2 328.416 0.729 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001060286791 761790095 /nfs/dbraw/zinc/79/00/95/761790095.db2.gz SMFYNGZEPIOUGD-UONOGXRCSA-N 1 2 331.420 0.867 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cccc2nnn(C)c21 ZINC001051269655 761798925 /nfs/dbraw/zinc/79/89/25/761798925.db2.gz BGEBORHBIHRXCC-CYBMUJFWSA-N 1 2 329.404 0.975 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc2nnn(C)c21 ZINC001051269655 761798927 /nfs/dbraw/zinc/79/89/27/761798927.db2.gz BGEBORHBIHRXCC-CYBMUJFWSA-N 1 2 329.404 0.975 20 30 ECEDLO N#Cc1nccc(NC[C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)n1 ZINC001060288250 761811748 /nfs/dbraw/zinc/81/17/48/761811748.db2.gz WBVGTUKUXTWWHR-CQSZACIVSA-N 1 2 339.403 0.850 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CC(C)(C)O)C1=O ZINC001017516788 768077434 /nfs/dbraw/zinc/07/74/34/768077434.db2.gz WPGOUGCLSMOJSQ-QLFBSQMISA-N 1 2 335.448 0.610 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CC(C)(C)O)C1=O ZINC001017516788 768077441 /nfs/dbraw/zinc/07/74/41/768077441.db2.gz WPGOUGCLSMOJSQ-QLFBSQMISA-N 1 2 335.448 0.610 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(c2ncccc2C#N)C[C@H]1O ZINC001051712080 762765948 /nfs/dbraw/zinc/76/59/48/762765948.db2.gz KJMPWLHQEFUOSY-UKRRQHHQSA-N 1 2 340.387 0.283 20 30 ECEDLO CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001038594260 763181732 /nfs/dbraw/zinc/18/17/32/763181732.db2.gz VPZXGIUAAANNAG-IRXDYDNUSA-N 1 2 325.412 0.849 20 30 ECEDLO CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001038594260 763181737 /nfs/dbraw/zinc/18/17/37/763181737.db2.gz VPZXGIUAAANNAG-IRXDYDNUSA-N 1 2 325.412 0.849 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001014878911 763357294 /nfs/dbraw/zinc/35/72/94/763357294.db2.gz CQESWOOEWZNMSI-NHYWBVRUSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001014878907 763357368 /nfs/dbraw/zinc/35/73/68/763357368.db2.gz CQESWOOEWZNMSI-ABAIWWIYSA-N 1 2 340.387 0.961 20 30 ECEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CCNC3=O)C2)ccc1F ZINC001031897074 763430887 /nfs/dbraw/zinc/43/08/87/763430887.db2.gz OIXPXWUQIRYBIA-AWEZNQCLSA-N 1 2 330.363 0.381 20 30 ECEDLO C=CCN1CC[C@@H](N2CC[NH+]([C@@H]3CCN(C(=O)CCC)C3)CC2)C1=O ZINC001051971639 763482733 /nfs/dbraw/zinc/48/27/33/763482733.db2.gz XGSRSNMRZRGKNU-IAGOWNOFSA-N 1 2 348.491 0.792 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN([C@@H]3CCN(C(=O)CCC)C3)CC2)C1=O ZINC001051971639 763482736 /nfs/dbraw/zinc/48/27/36/763482736.db2.gz XGSRSNMRZRGKNU-IAGOWNOFSA-N 1 2 348.491 0.792 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)CCC2(F)F)cn1 ZINC001046988264 763520702 /nfs/dbraw/zinc/52/07/02/763520702.db2.gz HEPPWHHRHDWHTD-LBPRGKRZSA-N 1 2 336.342 0.235 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)CCC2(F)F)cn1 ZINC001046988264 763520707 /nfs/dbraw/zinc/52/07/07/763520707.db2.gz HEPPWHHRHDWHTD-LBPRGKRZSA-N 1 2 336.342 0.235 20 30 ECEDLO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001046994864 763532972 /nfs/dbraw/zinc/53/29/72/763532972.db2.gz HMFXIKPIYRIENT-CABCVRRESA-N 1 2 343.418 0.804 20 30 ECEDLO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001046994864 763532976 /nfs/dbraw/zinc/53/29/76/763532976.db2.gz HMFXIKPIYRIENT-CABCVRRESA-N 1 2 343.418 0.804 20 30 ECEDLO CC#CCN1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001046994864 763532979 /nfs/dbraw/zinc/53/29/79/763532979.db2.gz HMFXIKPIYRIENT-CABCVRRESA-N 1 2 343.418 0.804 20 30 ECEDLO CC#CCN1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001046994864 763532982 /nfs/dbraw/zinc/53/29/82/763532982.db2.gz HMFXIKPIYRIENT-CABCVRRESA-N 1 2 343.418 0.804 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(Cc3ccccn3)CC2)C1 ZINC001051997683 763549207 /nfs/dbraw/zinc/54/92/07/763549207.db2.gz FYQMABCJBPANRD-NVXWUHKLSA-N 1 2 327.432 0.960 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H](N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC001051997683 763549211 /nfs/dbraw/zinc/54/92/11/763549211.db2.gz FYQMABCJBPANRD-NVXWUHKLSA-N 1 2 327.432 0.960 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(Cc3cnn(C)c3)CC2)C1 ZINC001051998237 763550480 /nfs/dbraw/zinc/55/04/80/763550480.db2.gz PYKJTGNHFADARO-GDBMZVCRSA-N 1 2 330.436 0.298 20 30 ECEDLO Cc1nc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)co1 ZINC001051998256 763550534 /nfs/dbraw/zinc/55/05/34/763550534.db2.gz QBQRMNIQABQLAB-XJKSGUPXSA-N 1 2 331.420 0.861 20 30 ECEDLO CCn1nncc1CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001051998478 763551529 /nfs/dbraw/zinc/55/15/29/763551529.db2.gz UUUDGEALQVJKIR-LSDHHAIUSA-N 1 2 345.451 0.176 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@](C)(O)C3CC3)C2)CC1 ZINC001052010719 763578748 /nfs/dbraw/zinc/57/87/48/763578748.db2.gz FBMFUZSCMGDKRS-HKUYNNGSSA-N 1 2 333.476 0.779 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cnn(C)c3C)C2)CC1 ZINC001052033314 763636629 /nfs/dbraw/zinc/63/66/29/763636629.db2.gz ORXQJGLASXZVLD-SFHVURJKSA-N 1 2 343.475 0.513 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3cc(C4CC4)no3)C2)CC1 ZINC001052036208 763648251 /nfs/dbraw/zinc/64/82/51/763648251.db2.gz HRSOUBLPXJJGRK-INIZCTEOSA-N 1 2 342.443 0.946 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnc4[nH]ccc4c3)C2)CC1 ZINC001052040516 763662994 /nfs/dbraw/zinc/66/29/94/763662994.db2.gz BWJUPXINYDGDSI-KRWDZBQOSA-N 1 2 337.427 0.980 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001052046349 763687755 /nfs/dbraw/zinc/68/77/55/763687755.db2.gz ZLGAVEOCRNHEOO-NWDGAFQWSA-N 1 2 335.433 0.420 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ncnc4[nH]ccc43)C2)CC1 ZINC001052047418 763689860 /nfs/dbraw/zinc/68/98/60/763689860.db2.gz MLZQHVRFKCZUFQ-CYBMUJFWSA-N 1 2 339.403 0.265 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)CN3CCCCC3=O)C2)CC1 ZINC001052048071 763693512 /nfs/dbraw/zinc/69/35/12/763693512.db2.gz JWWYRONLWDMSCI-QGZVFWFLSA-N 1 2 346.475 0.241 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)CC1 ZINC001052048123 763694309 /nfs/dbraw/zinc/69/43/09/763694309.db2.gz LPHKGEKOEFHKKQ-QGZVFWFLSA-N 1 2 342.443 0.241 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(COC)o3)C2)CC1 ZINC001052050414 763705687 /nfs/dbraw/zinc/70/56/87/763705687.db2.gz UNVHQRFMLSKLNW-OAHLLOKOSA-N 1 2 331.416 0.891 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(COC)o3)C2)CC1 ZINC001052050414 763705693 /nfs/dbraw/zinc/70/56/93/763705693.db2.gz UNVHQRFMLSKLNW-OAHLLOKOSA-N 1 2 331.416 0.891 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnc(Cl)n3C)C2)CC1 ZINC001052052656 763717436 /nfs/dbraw/zinc/71/74/36/763717436.db2.gz SUCNYXJEUYUKDF-CQSZACIVSA-N 1 2 349.866 0.929 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)CC1 ZINC001052053463 763718408 /nfs/dbraw/zinc/71/84/08/763718408.db2.gz LTJXZNKJUNIPBG-XLAORIBOSA-N 1 2 331.460 0.653 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)C2)CC1 ZINC001052052874 763719095 /nfs/dbraw/zinc/71/90/95/763719095.db2.gz ZDKPYMBADZXQLH-CEXWTWQISA-N 1 2 345.487 0.901 20 30 ECEDLO N#Cc1nccnc1NC[C@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC001106017794 763724650 /nfs/dbraw/zinc/72/46/50/763724650.db2.gz OKCKEKZELZPYIJ-NSHDSACASA-N 1 2 337.343 0.199 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC(=O)NC3)C2)c(F)c1 ZINC001015041981 763734587 /nfs/dbraw/zinc/73/45/87/763734587.db2.gz HONDWOSCLFBDKO-DZGCQCFKSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCC(=O)NC3)C2)c(F)c1 ZINC001015041981 763734594 /nfs/dbraw/zinc/73/45/94/763734594.db2.gz HONDWOSCLFBDKO-DZGCQCFKSA-N 1 2 344.390 0.914 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(CCC)n[nH]3)C2)CC1 ZINC001052060993 763743134 /nfs/dbraw/zinc/74/31/34/763743134.db2.gz QCFFNOOSPJPUCL-MRXNPFEDSA-N 1 2 329.448 0.828 20 30 ECEDLO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cn[nH]n3)C2)cc1C#N ZINC001015060019 763781339 /nfs/dbraw/zinc/78/13/39/763781339.db2.gz IYJQRIKVGBLOTF-ZDUSSCGKSA-N 1 2 326.360 0.689 20 30 ECEDLO COc1ccc(C[N@H+]2CC[C@H](NC(=O)c3cn[nH]n3)C2)cc1C#N ZINC001015060019 763781350 /nfs/dbraw/zinc/78/13/50/763781350.db2.gz IYJQRIKVGBLOTF-ZDUSSCGKSA-N 1 2 326.360 0.689 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(C)[nH]c3=O)C2)CC1 ZINC001052090996 763829535 /nfs/dbraw/zinc/82/95/35/763829535.db2.gz BDHIHLXMVXTWKR-MRXNPFEDSA-N 1 2 342.443 0.951 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3scnc3COC)C2)CC1 ZINC001052092904 763834716 /nfs/dbraw/zinc/83/47/16/763834716.db2.gz HKPZIUPQIWAPBL-CQSZACIVSA-N 1 2 348.472 0.755 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)CCc3cn[nH]c3)C2)CC1 ZINC001052093189 763837147 /nfs/dbraw/zinc/83/71/47/763837147.db2.gz KZTYIVUKCUDGHT-QGZVFWFLSA-N 1 2 329.448 0.584 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)COC3CCOCC3)C2)CC1 ZINC001052094509 763839111 /nfs/dbraw/zinc/83/91/11/763839111.db2.gz VCYGBTFZNUFVQJ-INIZCTEOSA-N 1 2 335.448 0.034 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccnc(C4CC4)n3)C2)CC1 ZINC001052094806 763840783 /nfs/dbraw/zinc/84/07/83/763840783.db2.gz ZFISYLMHGSXRQB-OAHLLOKOSA-N 1 2 340.431 0.710 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3coc(COC)n3)C2)CC1 ZINC001052102670 763866336 /nfs/dbraw/zinc/86/63/36/763866336.db2.gz GXZQZKBFSNSKGQ-CQSZACIVSA-N 1 2 332.404 0.286 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3coc(COC)n3)C2)CC1 ZINC001052102670 763866344 /nfs/dbraw/zinc/86/63/44/763866344.db2.gz GXZQZKBFSNSKGQ-CQSZACIVSA-N 1 2 332.404 0.286 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(OC)nn3)C2)CC1 ZINC001052105969 763878238 /nfs/dbraw/zinc/87/82/38/763878238.db2.gz XKPPFLDAMUKWHK-AWEZNQCLSA-N 1 2 331.420 0.503 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c[nH]c(C)cc3=O)C2)CC1 ZINC001052105996 763878845 /nfs/dbraw/zinc/87/88/45/763878845.db2.gz YJFAEPJUCQABST-OAHLLOKOSA-N 1 2 330.432 0.701 20 30 ECEDLO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c[nH]c(C)cc3=O)C2)CC1 ZINC001052105996 763878851 /nfs/dbraw/zinc/87/88/51/763878851.db2.gz YJFAEPJUCQABST-OAHLLOKOSA-N 1 2 330.432 0.701 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn(C)nc3Cl)C2)CC1 ZINC001052106906 763882917 /nfs/dbraw/zinc/88/29/17/763882917.db2.gz WLBVVWVKADYZNS-CQSZACIVSA-N 1 2 349.866 0.929 20 30 ECEDLO C=CCN1CC[C@@H](N2CC(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1=O ZINC001030544214 763894372 /nfs/dbraw/zinc/89/43/72/763894372.db2.gz FHMJHLMFKRFKOO-CZUORRHYSA-N 1 2 343.431 0.033 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCCN3C(C)=O)C2)CC1 ZINC001052109680 763896315 /nfs/dbraw/zinc/89/63/15/763896315.db2.gz GIEJRBHSGSLNFM-ROUUACIJSA-N 1 2 346.475 0.239 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn4cc[nH]c34)C2)CC1 ZINC001052112370 763907330 /nfs/dbraw/zinc/90/73/30/763907330.db2.gz UCESIPNZSFXXOU-CYBMUJFWSA-N 1 2 327.392 0.018 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c(C)nn(C)c3F)C2)CC1 ZINC001052112954 763909762 /nfs/dbraw/zinc/90/97/62/763909762.db2.gz IQRFYGTVOSSFPU-AWEZNQCLSA-N 1 2 333.411 0.333 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3c(C)nn(C)c3F)C2)CC1 ZINC001052112954 763909766 /nfs/dbraw/zinc/90/97/66/763909766.db2.gz IQRFYGTVOSSFPU-AWEZNQCLSA-N 1 2 333.411 0.333 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](CC)N3CCCC3=O)C2)CC1 ZINC001052120124 763938181 /nfs/dbraw/zinc/93/81/81/763938181.db2.gz ZABOUUZIIJJNDQ-DLBZAZTESA-N 1 2 346.475 0.239 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)CCn3cc(C)cn3)C2)CC1 ZINC001052121463 763942134 /nfs/dbraw/zinc/94/21/34/763942134.db2.gz BUKONGNJOSYDRR-GOSISDBHSA-N 1 2 343.475 0.823 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](CC(=O)N2CCC(C)CC2)C1 ZINC001031986713 763989295 /nfs/dbraw/zinc/98/92/95/763989295.db2.gz BBRBHCSMOLJNHP-SJORKVTESA-N 1 2 349.475 0.884 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(CC=C)C2=O)C[C@H]1OC ZINC001212187477 764020974 /nfs/dbraw/zinc/02/09/74/764020974.db2.gz VDIGOUBBALABMX-BZUAXINKSA-N 1 2 333.432 0.392 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(CC=C)C2=O)C[C@H]1OC ZINC001212187477 764020984 /nfs/dbraw/zinc/02/09/84/764020984.db2.gz VDIGOUBBALABMX-BZUAXINKSA-N 1 2 333.432 0.392 20 30 ECEDLO CN(C(=O)Cc1ccn[nH]1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047331179 764024755 /nfs/dbraw/zinc/02/47/55/764024755.db2.gz CIHRCGYWUHYAEW-IRXDYDNUSA-N 1 2 339.399 0.528 20 30 ECEDLO CN(C(=O)Cc1ccn[nH]1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047331179 764024769 /nfs/dbraw/zinc/02/47/69/764024769.db2.gz CIHRCGYWUHYAEW-IRXDYDNUSA-N 1 2 339.399 0.528 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@H+](Cc2cncs2)C[C@@H]1O ZINC001047337564 764044847 /nfs/dbraw/zinc/04/48/47/764044847.db2.gz GGHSJTLJLVMLHR-KBPBESRZSA-N 1 2 331.401 0.660 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@@H+](Cc2cncs2)C[C@@H]1O ZINC001047337564 764044857 /nfs/dbraw/zinc/04/48/57/764044857.db2.gz GGHSJTLJLVMLHR-KBPBESRZSA-N 1 2 331.401 0.660 20 30 ECEDLO C=CCOCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001052219886 764078325 /nfs/dbraw/zinc/07/83/25/764078325.db2.gz FILGYAMOTNBTML-OCCSQVGLSA-N 1 2 334.420 0.674 20 30 ECEDLO CN(C(=O)c1ncc[nH]1)[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047375306 764151920 /nfs/dbraw/zinc/15/19/20/764151920.db2.gz MNZNVTCMENGOGB-GJZGRUSLSA-N 1 2 325.372 0.599 20 30 ECEDLO CN(C(=O)c1ncc[nH]1)[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047375306 764151924 /nfs/dbraw/zinc/15/19/24/764151924.db2.gz MNZNVTCMENGOGB-GJZGRUSLSA-N 1 2 325.372 0.599 20 30 ECEDLO CN(C(=O)[C@]12C[C@H]1COC2)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047387925 764184460 /nfs/dbraw/zinc/18/44/60/764184460.db2.gz SNEDQOFYTSVLPT-JPLJXNOCSA-N 1 2 340.423 0.578 20 30 ECEDLO CN(C(=O)[C@]12C[C@H]1COC2)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047387925 764184463 /nfs/dbraw/zinc/18/44/63/764184463.db2.gz SNEDQOFYTSVLPT-JPLJXNOCSA-N 1 2 340.423 0.578 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001047399944 764220871 /nfs/dbraw/zinc/22/08/71/764220871.db2.gz WABFGEYQPVQVIJ-ZNMIVQPWSA-N 1 2 346.431 0.959 20 30 ECEDLO C=CCn1cc(C(=O)NCC2C[NH+](Cc3cc(OC)ccn3)C2)nn1 ZINC001032035085 764227906 /nfs/dbraw/zinc/22/79/06/764227906.db2.gz MWNQMSWHTQZJCN-UHFFFAOYSA-N 1 2 342.403 0.730 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001015288752 764312191 /nfs/dbraw/zinc/31/21/91/764312191.db2.gz FYCYIVYUDPXDRX-GFCCVEGCSA-N 1 2 335.857 0.355 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001015288752 764312192 /nfs/dbraw/zinc/31/21/92/764312192.db2.gz FYCYIVYUDPXDRX-GFCCVEGCSA-N 1 2 335.857 0.355 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cnnn3CC)[C@@H]2C)nn1 ZINC001088907407 764419465 /nfs/dbraw/zinc/41/94/65/764419465.db2.gz REYRCTGLTNVJDN-OCCSQVGLSA-N 1 2 344.423 0.468 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cnnn3CC)[C@@H]2C)nn1 ZINC001088907407 764419473 /nfs/dbraw/zinc/41/94/73/764419473.db2.gz REYRCTGLTNVJDN-OCCSQVGLSA-N 1 2 344.423 0.468 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@H]2O)cc1 ZINC001047479930 764468824 /nfs/dbraw/zinc/46/88/24/764468824.db2.gz GCIUETQUBYGZLE-ULQDDVLXSA-N 1 2 341.411 0.016 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@@H]2O)cc1 ZINC001047479930 764468830 /nfs/dbraw/zinc/46/88/30/764468830.db2.gz GCIUETQUBYGZLE-ULQDDVLXSA-N 1 2 341.411 0.016 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C3(C)CCC3)C2)C1=O ZINC001047489336 764492362 /nfs/dbraw/zinc/49/23/62/764492362.db2.gz MPIUAOMSYXHLDB-KKUMJFAQSA-N 1 2 335.448 0.467 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C3(C)CCC3)C2)C1=O ZINC001047489336 764492369 /nfs/dbraw/zinc/49/23/69/764492369.db2.gz MPIUAOMSYXHLDB-KKUMJFAQSA-N 1 2 335.448 0.467 20 30 ECEDLO CCN(CCNc1nccnc1C#N)C(=O)CCc1[nH+]ccn1C ZINC001107000531 764511986 /nfs/dbraw/zinc/51/19/86/764511986.db2.gz BJPFWYVIHFJKPI-UHFFFAOYSA-N 1 2 327.392 0.975 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001047499157 764518241 /nfs/dbraw/zinc/51/82/41/764518241.db2.gz ABKFMZZLPPJWMO-JYJNAYRXSA-N 1 2 325.453 0.175 20 30 ECEDLO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001047499157 764518249 /nfs/dbraw/zinc/51/82/49/764518249.db2.gz ABKFMZZLPPJWMO-JYJNAYRXSA-N 1 2 325.453 0.175 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3cccnc3)on2)C1 ZINC001047505200 764540032 /nfs/dbraw/zinc/54/00/32/764540032.db2.gz DMXJZWFORDRORN-HOTGVXAUSA-N 1 2 340.383 0.877 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3cccnc3)on2)C1 ZINC001047505200 764540040 /nfs/dbraw/zinc/54/00/40/764540040.db2.gz DMXJZWFORDRORN-HOTGVXAUSA-N 1 2 340.383 0.877 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN1c1ncccn1 ZINC001017633702 768222381 /nfs/dbraw/zinc/22/23/81/768222381.db2.gz IKERCTZCSQKBAC-OWCLPIDISA-N 1 2 325.416 0.754 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN1c1ncccn1 ZINC001017633702 768222384 /nfs/dbraw/zinc/22/23/84/768222384.db2.gz IKERCTZCSQKBAC-OWCLPIDISA-N 1 2 325.416 0.754 20 30 ECEDLO C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001054753351 768229679 /nfs/dbraw/zinc/22/96/79/768229679.db2.gz XUCHUVGXXRQKFH-CHWSQXEVSA-N 1 2 329.408 0.448 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H]1C ZINC001089021182 764783983 /nfs/dbraw/zinc/78/39/83/764783983.db2.gz ZUMGDFWCPOFCCU-MNOVXSKESA-N 1 2 342.827 0.648 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H]1C ZINC001089021182 764783992 /nfs/dbraw/zinc/78/39/92/764783992.db2.gz ZUMGDFWCPOFCCU-MNOVXSKESA-N 1 2 342.827 0.648 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(C(F)(F)F)n2)C1 ZINC001047586168 764784247 /nfs/dbraw/zinc/78/42/47/764784247.db2.gz LFYPAFDIOUFCMN-UWVGGRQHSA-N 1 2 333.335 0.912 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(C(F)(F)F)n2)C1 ZINC001047586168 764784252 /nfs/dbraw/zinc/78/42/52/764784252.db2.gz LFYPAFDIOUFCMN-UWVGGRQHSA-N 1 2 333.335 0.912 20 30 ECEDLO C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1CN(c1ccnc(C#N)n1)C2 ZINC001052595991 764823510 /nfs/dbraw/zinc/82/35/10/764823510.db2.gz BBNYAUPRFJIBFX-PXAZEXFGSA-N 1 2 337.387 0.599 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCNC3=O)C2)c1 ZINC001015512800 764843506 /nfs/dbraw/zinc/84/35/06/764843506.db2.gz WNNIIGUSAVYAJA-KBPBESRZSA-N 1 2 330.363 0.524 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCNC3=O)C2)c1 ZINC001015512800 764843509 /nfs/dbraw/zinc/84/35/09/764843509.db2.gz WNNIIGUSAVYAJA-KBPBESRZSA-N 1 2 330.363 0.524 20 30 ECEDLO CN1C(=O)CC[C@H]1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001015529953 764897301 /nfs/dbraw/zinc/89/73/01/764897301.db2.gz HCUNJRAWHUHLND-IRXDYDNUSA-N 1 2 343.402 0.989 20 30 ECEDLO CN1C(=O)CC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001015529953 764897310 /nfs/dbraw/zinc/89/73/10/764897310.db2.gz HCUNJRAWHUHLND-IRXDYDNUSA-N 1 2 343.402 0.989 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c[nH]1 ZINC001015591427 765017727 /nfs/dbraw/zinc/01/77/27/765017727.db2.gz NYUSGEKRJWPCRO-DGCLKSJQSA-N 1 2 340.387 0.867 20 30 ECEDLO C[C@@H](CCNc1ccnc(C#N)n1)NC(=O)CCc1c[nH+]cn1C ZINC001106406773 768260413 /nfs/dbraw/zinc/26/04/13/768260413.db2.gz YESRTRATNRKCMA-LBPRGKRZSA-N 1 2 327.392 0.443 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cnn(C)n3)CC2)nn1 ZINC001052775207 765098475 /nfs/dbraw/zinc/09/84/75/765098475.db2.gz RHPMNCWJMABNJN-CYBMUJFWSA-N 1 2 344.423 0.377 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cnn(C)n3)CC2)nn1 ZINC001052775207 765098487 /nfs/dbraw/zinc/09/84/87/765098487.db2.gz RHPMNCWJMABNJN-CYBMUJFWSA-N 1 2 344.423 0.377 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3ocnc3CC)C2)C1=O ZINC001015675862 765147548 /nfs/dbraw/zinc/14/75/48/765147548.db2.gz DJTOZOSZBBWALS-TZMCWYRMSA-N 1 2 332.404 0.828 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3ocnc3CC)C2)C1=O ZINC001015675862 765147550 /nfs/dbraw/zinc/14/75/50/765147550.db2.gz DJTOZOSZBBWALS-TZMCWYRMSA-N 1 2 332.404 0.828 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)c1 ZINC001015679273 765150287 /nfs/dbraw/zinc/15/02/87/765150287.db2.gz YBULNYGLRCSMEU-INIZCTEOSA-N 1 2 326.400 0.489 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCCC3)C2)c1 ZINC001015679273 765150293 /nfs/dbraw/zinc/15/02/93/765150293.db2.gz YBULNYGLRCSMEU-INIZCTEOSA-N 1 2 326.400 0.489 20 30 ECEDLO Cc1nc(N2CCNC(=O)CCN(C(=O)C#CC(C)C)CC2)cc[nH+]1 ZINC001089101816 765162479 /nfs/dbraw/zinc/16/24/79/765162479.db2.gz VZTSMZANOSSNDM-UHFFFAOYSA-N 1 2 343.431 0.599 20 30 ECEDLO C[C@]1(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)CCNC1=O ZINC001015696173 765179498 /nfs/dbraw/zinc/17/94/98/765179498.db2.gz WGSOBYGWOMGVLR-LPHOPBHVSA-N 1 2 343.402 0.894 20 30 ECEDLO C[C@]1(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)CCNC1=O ZINC001015696173 765179502 /nfs/dbraw/zinc/17/95/02/765179502.db2.gz WGSOBYGWOMGVLR-LPHOPBHVSA-N 1 2 343.402 0.894 20 30 ECEDLO N#Cc1ccc(C(=O)NCC2CC(NC(=O)Cc3[nH]cc[nH+]3)C2)[nH]1 ZINC000992046603 765275778 /nfs/dbraw/zinc/27/57/78/765275778.db2.gz UCLARKQGEMMZJN-UHFFFAOYSA-N 1 2 326.360 0.477 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CCCC3)C2)nn1 ZINC001015812413 765372452 /nfs/dbraw/zinc/37/24/52/765372452.db2.gz WTXFFQLSTZRURY-CQSZACIVSA-N 1 2 346.435 0.327 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CCCC3)C2)nn1 ZINC001015812413 765372460 /nfs/dbraw/zinc/37/24/60/765372460.db2.gz WTXFFQLSTZRURY-CQSZACIVSA-N 1 2 346.435 0.327 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC3CC3)C2)nn1 ZINC001015820549 765383068 /nfs/dbraw/zinc/38/30/68/765383068.db2.gz IKCXTGQILNMKES-GXTWGEPZSA-N 1 2 346.435 0.325 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)nn1 ZINC001015820549 765383081 /nfs/dbraw/zinc/38/30/81/765383081.db2.gz IKCXTGQILNMKES-GXTWGEPZSA-N 1 2 346.435 0.325 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cnc(C)nc3)C2)nn1 ZINC001015821683 765385252 /nfs/dbraw/zinc/38/52/52/765385252.db2.gz ZHRAIVDKVUKZDX-HNNXBMFYSA-N 1 2 341.419 0.957 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cnc(C)nc3)C2)nn1 ZINC001015821683 765385262 /nfs/dbraw/zinc/38/52/62/765385262.db2.gz ZHRAIVDKVUKZDX-HNNXBMFYSA-N 1 2 341.419 0.957 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3conc3C)C[C@H]2O)cc1 ZINC001077493940 765600939 /nfs/dbraw/zinc/60/09/39/765600939.db2.gz QZQVLRSMJAULJY-IAGOWNOFSA-N 1 2 325.368 0.939 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3conc3C)C[C@H]2O)cc1 ZINC001077493940 765600947 /nfs/dbraw/zinc/60/09/47/765600947.db2.gz QZQVLRSMJAULJY-IAGOWNOFSA-N 1 2 325.368 0.939 20 30 ECEDLO C=C1CC(C)(C(=O)NC[C@@H](O)CNc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001106095400 765619532 /nfs/dbraw/zinc/61/95/32/765619532.db2.gz ZRRLDCIBIDYXCR-ZDUSSCGKSA-N 1 2 345.447 0.710 20 30 ECEDLO C=C1CC(C)(C(=O)NC[C@@H](O)CNc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001106095400 765619535 /nfs/dbraw/zinc/61/95/35/765619535.db2.gz ZRRLDCIBIDYXCR-ZDUSSCGKSA-N 1 2 345.447 0.710 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001016016712 765723384 /nfs/dbraw/zinc/72/33/84/765723384.db2.gz NLDNVUBMGFRTSV-CQSZACIVSA-N 1 2 339.399 0.831 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001016016712 765723390 /nfs/dbraw/zinc/72/33/90/765723390.db2.gz NLDNVUBMGFRTSV-CQSZACIVSA-N 1 2 339.399 0.831 20 30 ECEDLO N#Cc1nccc(N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)Cc2c[nH+]c[nH]2)C3)n1 ZINC001054844256 768320577 /nfs/dbraw/zinc/32/05/77/768320577.db2.gz NBOCCGDJVCHNKK-OBJOEFQTSA-N 1 2 337.387 0.527 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001016175679 765868750 /nfs/dbraw/zinc/86/87/50/765868750.db2.gz RXOONYFBUOCVGP-SNVBAGLBSA-N 1 2 328.800 0.260 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC001016175679 765868757 /nfs/dbraw/zinc/86/87/57/765868757.db2.gz RXOONYFBUOCVGP-SNVBAGLBSA-N 1 2 328.800 0.260 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 ZINC001053336396 765995951 /nfs/dbraw/zinc/99/59/51/765995951.db2.gz ZGOQWYBYLNCFKN-UHFFFAOYSA-N 1 2 332.404 0.769 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COCCN1CC(F)F ZINC001017770014 768357322 /nfs/dbraw/zinc/35/73/22/768357322.db2.gz WTZCSKKVDXWPPQ-ZNMIVQPWSA-N 1 2 341.402 0.651 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COCCN1CC(F)F ZINC001017770014 768357330 /nfs/dbraw/zinc/35/73/30/768357330.db2.gz WTZCSKKVDXWPPQ-ZNMIVQPWSA-N 1 2 341.402 0.651 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CCNc1ccnc(C#N)n1 ZINC001053530686 766287544 /nfs/dbraw/zinc/28/75/44/766287544.db2.gz XSKZKAYCZVGLTD-CHWSQXEVSA-N 1 2 339.403 0.632 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C1 ZINC001212248767 766363263 /nfs/dbraw/zinc/36/32/63/766363263.db2.gz MYNJMPHXDDTATP-RBSFLKMASA-N 1 2 335.448 0.542 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C1 ZINC001212248767 766363271 /nfs/dbraw/zinc/36/32/71/766363271.db2.gz MYNJMPHXDDTATP-RBSFLKMASA-N 1 2 335.448 0.542 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1nc3ncc(C)cn3n1)O2 ZINC001053616324 766441916 /nfs/dbraw/zinc/44/19/16/766441916.db2.gz ZLECQMUAVZWUFY-ZDUSSCGKSA-N 1 2 342.403 0.582 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1nc(OC)cc(OC)n1)O2 ZINC001053617842 766443043 /nfs/dbraw/zinc/44/30/43/766443043.db2.gz HTTPTPGXHQLLOK-GFCCVEGCSA-N 1 2 348.403 0.643 20 30 ECEDLO CC#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCn3c[nH+]cc3C1)O2 ZINC001053618084 766444091 /nfs/dbraw/zinc/44/40/91/766444091.db2.gz OHPALJLMYOYTML-RDJZCZTQSA-N 1 2 342.443 0.818 20 30 ECEDLO C=C1CC(C)(C(=O)NC2C[NH+](C[C@@H]3CCN(S(C)(=O)=O)C3)C2)C1 ZINC001030924567 766456671 /nfs/dbraw/zinc/45/66/71/766456671.db2.gz SURHEEZHPHXCCE-ZDUSSCGKSA-N 1 2 341.477 0.425 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCc2sc(C[NH2+][C@@H]3CCCNC3=O)nc2C1 ZINC001089273481 766464734 /nfs/dbraw/zinc/46/47/34/766464734.db2.gz CWGZRALFDYAKQX-WDEREUQCSA-N 1 2 347.444 0.556 20 30 ECEDLO N#CCN1CC2(C1)CC[C@H](CNC(=O)c1cccc3[nH+]ccn31)O2 ZINC001053626568 766469949 /nfs/dbraw/zinc/46/99/49/766469949.db2.gz ZMDUPCBNSLEJSG-CYBMUJFWSA-N 1 2 325.372 0.821 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccn3nnnc3c1)O2 ZINC001053634065 766483648 /nfs/dbraw/zinc/48/36/48/766483648.db2.gz JEQZCTMXQPJBTH-ZDUSSCGKSA-N 1 2 328.376 0.274 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCc3nc(C)nn3C1)O2 ZINC001053638959 766494727 /nfs/dbraw/zinc/49/47/27/766494727.db2.gz DWIRCMXOSSVXES-LSDHHAIUSA-N 1 2 345.447 0.685 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCC[C@]2(CC[N@H+](Cc3nnnn3C)C2)C1 ZINC001045923688 766496470 /nfs/dbraw/zinc/49/64/70/766496470.db2.gz CPWHFYBAVNHCRH-CZUORRHYSA-N 1 2 331.424 0.574 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCC[C@]2(CC[N@@H+](Cc3nnnn3C)C2)C1 ZINC001045923688 766496475 /nfs/dbraw/zinc/49/64/75/766496475.db2.gz CPWHFYBAVNHCRH-CZUORRHYSA-N 1 2 331.424 0.574 20 30 ECEDLO Cn1ncc(C[NH+]2CCC3(C[C@@H]3NC(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC001016563320 766509592 /nfs/dbraw/zinc/50/95/92/766509592.db2.gz XGJOZTKKWRSSBA-HNNXBMFYSA-N 1 2 339.403 0.799 20 30 ECEDLO C#CCN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCc3[nH+]c[nH]c31)O2 ZINC001053661970 766533541 /nfs/dbraw/zinc/53/35/41/766533541.db2.gz BHYYPHWCFSXPGQ-ZIAGYGMSSA-N 1 2 328.416 0.812 20 30 ECEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cccn3nnnc23)C1 ZINC001031697154 766544610 /nfs/dbraw/zinc/54/46/10/766544610.db2.gz DUAQPSRNKIBZFY-UHFFFAOYSA-N 1 2 347.382 0.858 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccnc3nc(C)nn31)O2 ZINC001053686663 766588898 /nfs/dbraw/zinc/58/88/98/766588898.db2.gz WTHXBKZKKGNHTB-ZDUSSCGKSA-N 1 2 342.403 0.582 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2oc(CC)nc2C)C[C@H]1OC ZINC001212258118 766600587 /nfs/dbraw/zinc/60/05/87/766600587.db2.gz NKYIQWVIPSVTTO-IIAWOOMASA-N 1 2 349.431 0.899 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2oc(CC)nc2C)C[C@H]1OC ZINC001212258118 766600591 /nfs/dbraw/zinc/60/05/91/766600591.db2.gz NKYIQWVIPSVTTO-IIAWOOMASA-N 1 2 349.431 0.899 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCc3nncn3C1)O2 ZINC001053701128 766622048 /nfs/dbraw/zinc/62/20/48/766622048.db2.gz MYOYSRQKFHIOFJ-HUUCEWRRSA-N 1 2 345.447 0.766 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cn(C)c(=O)n1C)O2 ZINC001053701603 766623300 /nfs/dbraw/zinc/62/33/00/766623300.db2.gz YTRCCEVMLYNGMF-ZDUSSCGKSA-N 1 2 334.420 0.263 20 30 ECEDLO Cc1nonc1C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001046013111 766641001 /nfs/dbraw/zinc/64/10/01/766641001.db2.gz SDZOSUVVGUQADY-JSGCOSHPSA-N 1 2 332.408 0.256 20 30 ECEDLO Cc1nonc1C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001046013111 766641010 /nfs/dbraw/zinc/64/10/10/766641010.db2.gz SDZOSUVVGUQADY-JSGCOSHPSA-N 1 2 332.408 0.256 20 30 ECEDLO CCc1nc(CN2CC[C@H]([NH+]3CCN(C(=O)[C@@H](C)C#N)CC3)C2)no1 ZINC001046012922 766641263 /nfs/dbraw/zinc/64/12/63/766641263.db2.gz RQDADJDFDHBBQG-KBPBESRZSA-N 1 2 346.435 0.510 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3ccc4nc[nH]c4n3)CC2)C1 ZINC001046038677 766739052 /nfs/dbraw/zinc/73/90/52/766739052.db2.gz HYPOQLTWPUEGOM-ZDUSSCGKSA-N 1 2 339.403 0.314 20 30 ECEDLO Cn1ncc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)c1Cl ZINC001046040409 766746785 /nfs/dbraw/zinc/74/67/85/766746785.db2.gz HODLCQAAYASANR-LBPRGKRZSA-N 1 2 336.827 0.429 20 30 ECEDLO CCc1cncc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)c1 ZINC001046043309 766760157 /nfs/dbraw/zinc/76/01/57/766760157.db2.gz BPEUWOCNPMTKOP-KRWDZBQOSA-N 1 2 327.432 1.000 20 30 ECEDLO CCOC1CC(CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)C1 ZINC001046056282 766810411 /nfs/dbraw/zinc/81/04/11/766810411.db2.gz PUJYCENFEQXEFC-CGZBRXJRSA-N 1 2 334.464 0.934 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3cocc3C)C2)C1=O ZINC001077521491 766873713 /nfs/dbraw/zinc/87/37/13/766873713.db2.gz ASIBJSRJDQTBSJ-RBSFLKMASA-N 1 2 333.388 0.150 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cocc3C)C2)C1=O ZINC001077521491 766873721 /nfs/dbraw/zinc/87/37/21/766873721.db2.gz ASIBJSRJDQTBSJ-RBSFLKMASA-N 1 2 333.388 0.150 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCc3c[nH]nc31)CO2 ZINC001053800322 766881540 /nfs/dbraw/zinc/88/15/40/766881540.db2.gz MZTXZNRCGGXQMK-HUUCEWRRSA-N 1 2 328.416 0.812 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)CCc3ncccn3)CC2)C1 ZINC001046072929 766883847 /nfs/dbraw/zinc/88/38/47/766883847.db2.gz RBTSGHLPMXFHMG-OAHLLOKOSA-N 1 2 328.420 0.151 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1nnn(C(C)(C)C)n1)CO2 ZINC001053807249 766899687 /nfs/dbraw/zinc/89/96/87/766899687.db2.gz FYICRQCJCWWXOS-GFCCVEGCSA-N 1 2 334.424 0.577 20 30 ECEDLO CCC1(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)CCOCC1 ZINC001046075708 766900127 /nfs/dbraw/zinc/90/01/27/766900127.db2.gz XQSYEOSPRYYMFN-MRXNPFEDSA-N 1 2 334.464 0.935 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cnn4cc[nH]c34)CC2)C1 ZINC001046080580 766917782 /nfs/dbraw/zinc/91/77/82/766917782.db2.gz QBBGYTHEJUXFKY-ZDUSSCGKSA-N 1 2 327.392 0.018 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3n[nH]c4ccccc43)CC2)C1 ZINC001046082013 766920876 /nfs/dbraw/zinc/92/08/76/766920876.db2.gz QOUCOQCDCCWHOR-CQSZACIVSA-N 1 2 338.415 0.919 20 30 ECEDLO CCc1ncncc1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046084279 766923940 /nfs/dbraw/zinc/92/39/40/766923940.db2.gz OVPXGXDNUCWQAE-AWEZNQCLSA-N 1 2 328.420 0.395 20 30 ECEDLO CN(CC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1)c1ccccc1 ZINC001046084696 766924970 /nfs/dbraw/zinc/92/49/70/766924970.db2.gz GMDNFXBEXVPMCX-GOSISDBHSA-N 1 2 341.459 0.865 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@H]3COc4ccccc43)CC2)C1 ZINC001046089533 766931003 /nfs/dbraw/zinc/93/10/03/766931003.db2.gz GLSFEZAFWBYTFX-RDJZCZTQSA-N 1 2 340.427 0.905 20 30 ECEDLO CC[C@H](F)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC(=O)NCC#N ZINC001099176612 766955795 /nfs/dbraw/zinc/95/57/95/766955795.db2.gz QSOZZCLRUUNIGC-STQMWFEESA-N 1 2 326.416 0.981 20 30 ECEDLO CC[C@H](F)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC(=O)NCC#N ZINC001099176612 766955801 /nfs/dbraw/zinc/95/58/01/766955801.db2.gz QSOZZCLRUUNIGC-STQMWFEESA-N 1 2 326.416 0.981 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cn(C)nc1C(F)F)CO2 ZINC001053831586 766966680 /nfs/dbraw/zinc/96/66/80/766966680.db2.gz KFFUZDDZBCFFSP-NSHDSACASA-N 1 2 338.358 0.954 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C2CC(NC(=O)Cc3c[nH]c[nH+]3)C2)nc1 ZINC001016811066 766968220 /nfs/dbraw/zinc/96/82/20/766968220.db2.gz MLTAYPQYHRKMAP-UHFFFAOYSA-N 1 2 337.383 0.748 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3conc3CC)C[C@@H]2O)c1 ZINC001083765033 767000485 /nfs/dbraw/zinc/00/04/85/767000485.db2.gz KDYUCLZJWBXAKZ-SJORKVTESA-N 1 2 340.383 0.588 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3conc3CC)C[C@@H]2O)c1 ZINC001083765033 767000495 /nfs/dbraw/zinc/00/04/95/767000495.db2.gz KDYUCLZJWBXAKZ-SJORKVTESA-N 1 2 340.383 0.588 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCn3cncc3C1)CO2 ZINC001053850845 767017877 /nfs/dbraw/zinc/01/78/77/767017877.db2.gz GMTBMKYIBXDIMP-GJZGRUSLSA-N 1 2 328.416 0.428 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3c(n1)OCCO3)CO2 ZINC001053857945 767044117 /nfs/dbraw/zinc/04/41/17/767044117.db2.gz SJUXXPZKDMBFKX-ZDUSSCGKSA-N 1 2 343.383 0.449 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3ncccc3O)C2)C1=O ZINC001046262949 767116547 /nfs/dbraw/zinc/11/65/47/767116547.db2.gz ZEFUOYKQFHBREO-SCLBCKFNSA-N 1 2 344.415 0.768 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3ncccc3O)C2)C1=O ZINC001046262949 767116548 /nfs/dbraw/zinc/11/65/48/767116548.db2.gz ZEFUOYKQFHBREO-SCLBCKFNSA-N 1 2 344.415 0.768 20 30 ECEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCCC(=O)N1 ZINC001031755951 767155970 /nfs/dbraw/zinc/15/59/70/767155970.db2.gz SJMAXESOUFLIDZ-QGZVFWFLSA-N 1 2 343.402 0.894 20 30 ECEDLO C#CCN1CC2(C1)C[C@H](NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)CO2 ZINC001053882059 767158358 /nfs/dbraw/zinc/15/83/58/767158358.db2.gz RZXAAYBTWSPLRI-IRXDYDNUSA-N 1 2 347.459 0.080 20 30 ECEDLO C#CCN1CC2(C1)C[C@H](NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1)CO2 ZINC001053882059 767158361 /nfs/dbraw/zinc/15/83/61/767158361.db2.gz RZXAAYBTWSPLRI-IRXDYDNUSA-N 1 2 347.459 0.080 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CS(C)(=O)=O ZINC001089781694 767167663 /nfs/dbraw/zinc/16/76/63/767167663.db2.gz OGOQWDUECJCRAR-DGAVXFQQSA-N 1 2 346.880 0.952 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CS(C)(=O)=O ZINC001089781694 767167664 /nfs/dbraw/zinc/16/76/64/767167664.db2.gz OGOQWDUECJCRAR-DGAVXFQQSA-N 1 2 346.880 0.952 20 30 ECEDLO C#Cc1cccc(NC(=O)CN2CC(NC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC001031016480 767201007 /nfs/dbraw/zinc/20/10/07/767201007.db2.gz LWEXLEGLJBCLBV-UHFFFAOYSA-N 1 2 337.383 0.373 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCC(=O)NC3)C2)c(F)c1 ZINC001031804666 767244242 /nfs/dbraw/zinc/24/42/42/767244242.db2.gz IBRJXYUNUMJQIY-CQSZACIVSA-N 1 2 344.390 0.772 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]1OC ZINC001212337340 767253189 /nfs/dbraw/zinc/25/31/89/767253189.db2.gz IXRJETRCVWGSAW-GRYCIOLGSA-N 1 2 331.844 0.844 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)C[C@H]1OC ZINC001212337340 767253191 /nfs/dbraw/zinc/25/31/91/767253191.db2.gz IXRJETRCVWGSAW-GRYCIOLGSA-N 1 2 331.844 0.844 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]1OC ZINC001212337600 767253859 /nfs/dbraw/zinc/25/38/59/767253859.db2.gz WJCRTCKNBMINQT-MVWJERBFSA-N 1 2 331.844 0.715 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC)C[C@H]1OC ZINC001212337600 767253861 /nfs/dbraw/zinc/25/38/61/767253861.db2.gz WJCRTCKNBMINQT-MVWJERBFSA-N 1 2 331.844 0.715 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCNC2=O)C1 ZINC001046537381 767287821 /nfs/dbraw/zinc/28/78/21/767287821.db2.gz NYBASWPZRIKBCC-GWCFXTLKSA-N 1 2 330.226 0.612 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCNC2=O)C1 ZINC001046537381 767287822 /nfs/dbraw/zinc/28/78/22/767287822.db2.gz NYBASWPZRIKBCC-GWCFXTLKSA-N 1 2 330.226 0.612 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1ccc(OC)cn1)CO2 ZINC001053905456 767316594 /nfs/dbraw/zinc/31/65/94/767316594.db2.gz HLDIYYHSMIMCDQ-OAHLLOKOSA-N 1 2 329.400 0.616 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001016932429 767339411 /nfs/dbraw/zinc/33/94/11/767339411.db2.gz FGWRMNMVCXTHDG-PQAZSJQKSA-N 1 2 332.404 0.649 20 30 ECEDLO Cc1nc(NC[C@H](O)CNC(=O)CCc2c[nH]c[nH+]2)ccc1C#N ZINC001106150624 767366103 /nfs/dbraw/zinc/36/61/03/767366103.db2.gz ZDOXQZBEKHFKPE-AWEZNQCLSA-N 1 2 328.376 0.507 20 30 ECEDLO Cc1nc(NC[C@H](O)CNC(=O)CCc2c[nH+]c[nH]2)ccc1C#N ZINC001106150624 767366108 /nfs/dbraw/zinc/36/61/08/767366108.db2.gz ZDOXQZBEKHFKPE-AWEZNQCLSA-N 1 2 328.376 0.507 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1ccnc(OC)c1)CO2 ZINC001053924220 767372045 /nfs/dbraw/zinc/37/20/45/767372045.db2.gz NUXPRXUXPMWLNK-OAHLLOKOSA-N 1 2 329.400 0.616 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1c[nH]c(=O)cc1OC)CO2 ZINC001053929081 767389482 /nfs/dbraw/zinc/38/94/82/767389482.db2.gz QMPPEIJCIBLVNV-LBPRGKRZSA-N 1 2 331.372 0.392 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3[nH]c(=O)[nH]c3c1)CO2 ZINC001053942555 767414151 /nfs/dbraw/zinc/41/41/51/767414151.db2.gz RINLXAMUXLXKTK-CYBMUJFWSA-N 1 2 340.383 0.865 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c(C)nn(C)c1OC)CO2 ZINC001053945424 767422273 /nfs/dbraw/zinc/42/22/73/767422273.db2.gz WOLNPUGEXRWCSY-CYBMUJFWSA-N 1 2 332.404 0.334 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2COC3(C[NH+](C[C@H](C)OC)C3)C2)nn1 ZINC001053951116 767435983 /nfs/dbraw/zinc/43/59/83/767435983.db2.gz QHWMVDYOGZVOQL-UONOGXRCSA-N 1 2 349.435 0.462 20 30 ECEDLO N#Cc1ccc(C(=O)NCC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)[nH]1 ZINC001060462747 767438434 /nfs/dbraw/zinc/43/84/34/767438434.db2.gz JJNXEZRMEYFIIP-LBPRGKRZSA-N 1 2 340.387 0.821 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1nc3ncccn3n1)CO2 ZINC001053960323 767459514 /nfs/dbraw/zinc/45/95/14/767459514.db2.gz WEOSGAMNSOPKPR-GFCCVEGCSA-N 1 2 328.376 0.274 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc3ncccn3n1)CO2 ZINC001053963181 767470045 /nfs/dbraw/zinc/47/00/45/767470045.db2.gz JFFMGPDEWYSRPL-CYBMUJFWSA-N 1 2 325.372 0.326 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@]1(C)CCN(C(C)=O)C1)CO2 ZINC001053976891 767509476 /nfs/dbraw/zinc/50/94/76/767509476.db2.gz JLMLVEBHJZIIOX-RDJZCZTQSA-N 1 2 333.432 0.228 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@@H](C[N@H+](C)Cc2nc(N(C)C)no2)C1 ZINC001017075529 767553799 /nfs/dbraw/zinc/55/37/99/767553799.db2.gz BQQCBVGQXGMERX-OLZOCXBDSA-N 1 2 334.424 0.966 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2nc(N(C)C)no2)C1 ZINC001017075529 767553801 /nfs/dbraw/zinc/55/38/01/767553801.db2.gz BQQCBVGQXGMERX-OLZOCXBDSA-N 1 2 334.424 0.966 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(NC(N)=O)cc1)CO2 ZINC001053999142 767562358 /nfs/dbraw/zinc/56/23/58/767562358.db2.gz BNENNXADDWOZCX-OAHLLOKOSA-N 1 2 342.399 0.774 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C1CCN(C(C)=O)CC1)CO2 ZINC001054004002 767569637 /nfs/dbraw/zinc/56/96/37/767569637.db2.gz FBYNAXKZNPJXQQ-MRXNPFEDSA-N 1 2 335.448 0.781 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(=O)n(CCC)n1)CO2 ZINC001054005061 767573313 /nfs/dbraw/zinc/57/33/13/767573313.db2.gz DTHNOLJGPKDBNE-AWEZNQCLSA-N 1 2 344.415 0.250 20 30 ECEDLO Cn1nnnc1C[N@H+](C)C[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001017107026 767596624 /nfs/dbraw/zinc/59/66/24/767596624.db2.gz NEVYSVSCQLQUSX-GFCCVEGCSA-N 1 2 342.407 0.394 20 30 ECEDLO Cn1nnnc1C[N@@H+](C)C[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001017107026 767596632 /nfs/dbraw/zinc/59/66/32/767596632.db2.gz NEVYSVSCQLQUSX-GFCCVEGCSA-N 1 2 342.407 0.394 20 30 ECEDLO CN(CCOCCNc1ccc(C#N)nn1)C(=O)Cc1c[nH+]cn1C ZINC001127346851 768369940 /nfs/dbraw/zinc/36/99/40/768369940.db2.gz GKJGHQWMIOZHTA-UHFFFAOYSA-N 1 2 343.391 0.211 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)CCOCCNc1ccncc1C#N ZINC001127352147 768421955 /nfs/dbraw/zinc/42/19/55/768421955.db2.gz ZMFBWACLNWXASX-UHFFFAOYSA-N 1 2 342.403 0.536 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N ZINC001055063706 768552516 /nfs/dbraw/zinc/55/25/16/768552516.db2.gz BRJBWYIWXKXVGP-ZLDLUXBVSA-N 1 2 337.387 0.550 20 30 ECEDLO N#Cc1cnc(N[C@@H]2CC[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)cn1 ZINC001060534704 768560327 /nfs/dbraw/zinc/56/03/27/768560327.db2.gz DISMNJGLASPLQQ-NWANDNLSSA-N 1 2 337.387 0.894 20 30 ECEDLO C[C@@H]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001018091262 768710678 /nfs/dbraw/zinc/71/06/78/768710678.db2.gz GCLKRNZKLNTFHY-DGCLKSJQSA-N 1 2 340.387 0.961 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@]2(C)CCOC2)C1=O ZINC001018110705 768739646 /nfs/dbraw/zinc/73/96/46/768739646.db2.gz IYRMBHGNQDPCEI-YYAJDYIMSA-N 1 2 347.459 0.875 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@]2(C)CCOC2)C1=O ZINC001018110705 768739651 /nfs/dbraw/zinc/73/96/51/768739651.db2.gz IYRMBHGNQDPCEI-YYAJDYIMSA-N 1 2 347.459 0.875 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001018153813 768808622 /nfs/dbraw/zinc/80/86/22/768808622.db2.gz YQFIDOASCXJBOL-QLFBSQMISA-N 1 2 329.404 0.552 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001018153813 768808628 /nfs/dbraw/zinc/80/86/28/768808628.db2.gz YQFIDOASCXJBOL-QLFBSQMISA-N 1 2 329.404 0.552 20 30 ECEDLO N#Cc1cncc(N[C@@H]2CC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)n1 ZINC001060558529 768812564 /nfs/dbraw/zinc/81/25/64/768812564.db2.gz ZQPAFIMXOAYXJA-NILFDRSVSA-N 1 2 337.387 0.963 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000993344175 768816065 /nfs/dbraw/zinc/81/60/65/768816065.db2.gz BOBHUSHWSDWQDR-CPUCHLNUSA-N 1 2 329.404 0.740 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2cnnn2)cc1 ZINC001018246998 768957376 /nfs/dbraw/zinc/95/73/76/768957376.db2.gz RWGVFNGDESFSPQ-CALCHBBNSA-N 1 2 336.399 0.974 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2cnnn2)cc1 ZINC001018246998 768957379 /nfs/dbraw/zinc/95/73/79/768957379.db2.gz RWGVFNGDESFSPQ-CALCHBBNSA-N 1 2 336.399 0.974 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1c(=O)oc2ccccc21 ZINC001018254952 768978558 /nfs/dbraw/zinc/97/85/58/768978558.db2.gz ZNPCLGVONJCPBU-OKILXGFUSA-N 1 2 325.368 0.903 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1c(=O)oc2ccccc21 ZINC001018254952 768978561 /nfs/dbraw/zinc/97/85/61/768978561.db2.gz ZNPCLGVONJCPBU-OKILXGFUSA-N 1 2 325.368 0.903 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NC1CN(Cc2ccc(C#N)cc2F)C1 ZINC001031261271 768983717 /nfs/dbraw/zinc/98/37/17/768983717.db2.gz DSQBMANBSZKIPA-UHFFFAOYSA-N 1 2 327.363 0.974 20 30 ECEDLO CC(C)C#CC(=O)NC1CC[NH+](CCNC(=O)C(=O)C(C)(C)C)CC1 ZINC001055545584 769080162 /nfs/dbraw/zinc/08/01/62/769080162.db2.gz MQAOATFBQPKTLP-UHFFFAOYSA-N 1 2 349.475 0.958 20 30 ECEDLO O=C(C#CC1CC1)NC1CC[NH+](CCNC(=O)c2ccns2)CC1 ZINC001055585688 769184840 /nfs/dbraw/zinc/18/48/40/769184840.db2.gz GYZZWHALIFOYOU-UHFFFAOYSA-N 1 2 346.456 0.867 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)CC3(O)CCC3)C2)CC1 ZINC001018364490 769205829 /nfs/dbraw/zinc/20/58/29/769205829.db2.gz UKQJUPMYMYFSJE-INIZCTEOSA-N 1 2 349.475 0.860 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)C#CC3CC3)C2)CC1 ZINC001018364879 769207302 /nfs/dbraw/zinc/20/73/02/769207302.db2.gz WYAKNDQXYIIEBO-QGZVFWFLSA-N 1 2 329.444 0.969 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)c2cn[nH]n2)CC1 ZINC001055596689 769216305 /nfs/dbraw/zinc/21/63/05/769216305.db2.gz APDVHKHOOOTEFZ-CHWSQXEVSA-N 1 2 348.451 0.573 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)c2cnn[nH]2)CC1 ZINC001055596689 769216309 /nfs/dbraw/zinc/21/63/09/769216309.db2.gz APDVHKHOOOTEFZ-CHWSQXEVSA-N 1 2 348.451 0.573 20 30 ECEDLO C#CCCCCC(=O)NC1CC[NH+](CCNC(=O)c2cn[nH]n2)CC1 ZINC001055597574 769220908 /nfs/dbraw/zinc/22/09/08/769220908.db2.gz XOCORZXPZNQUQK-UHFFFAOYSA-N 1 2 346.435 0.309 20 30 ECEDLO C#CCCCCC(=O)NC1CC[NH+](CCNC(=O)c2cnn[nH]2)CC1 ZINC001055597574 769220913 /nfs/dbraw/zinc/22/09/13/769220913.db2.gz XOCORZXPZNQUQK-UHFFFAOYSA-N 1 2 346.435 0.309 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cccnn3)C2)CC1 ZINC001018375884 769243305 /nfs/dbraw/zinc/24/33/05/769243305.db2.gz OCFXRIXSZRXXRU-OAHLLOKOSA-N 1 2 343.431 0.659 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NC1CC[NH+](CCNC(=O)c2ncn[nH]2)CC1 ZINC001055614497 769259690 /nfs/dbraw/zinc/25/96/90/769259690.db2.gz WFQMNDXXYYWUDH-QGZVFWFLSA-N 1 2 348.451 0.717 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH+]1CCC(NC(=O)c2ncn[nH]2)CC1 ZINC001055619262 769269492 /nfs/dbraw/zinc/26/94/92/769269492.db2.gz WMXOZMDJYROWFI-OLZOCXBDSA-N 1 2 348.451 0.573 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH+]1CCC(NC(=O)c2nc[nH]n2)CC1 ZINC001055619262 769269496 /nfs/dbraw/zinc/26/94/96/769269496.db2.gz WMXOZMDJYROWFI-OLZOCXBDSA-N 1 2 348.451 0.573 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CN(C(C)=O)C[C@H]2c2c[nH+]cn2C)nc1 ZINC000993575829 769281633 /nfs/dbraw/zinc/28/16/33/769281633.db2.gz AZALFBCAIKTVTN-GDBMZVCRSA-N 1 2 337.383 0.541 20 30 ECEDLO CCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000993572204 769337822 /nfs/dbraw/zinc/33/78/22/769337822.db2.gz AEZWEWXXJHXAEG-TZMCWYRMSA-N 1 2 340.387 0.754 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2nnn(C)n2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993684612 769476948 /nfs/dbraw/zinc/47/69/48/769476948.db2.gz CTINXUAXQSGMTE-SWLSCSKDSA-N 1 2 339.403 0.865 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2nnn(C)n2)CCC[N@H+]1Cc1ccccc1C#N ZINC000993684612 769476956 /nfs/dbraw/zinc/47/69/56/769476956.db2.gz CTINXUAXQSGMTE-SWLSCSKDSA-N 1 2 339.403 0.865 20 30 ECEDLO Cc1cc(C#N)nc(N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)n1 ZINC001055790588 769724202 /nfs/dbraw/zinc/72/42/02/769724202.db2.gz ZZPUBYNYFNEFOQ-UHFFFAOYSA-N 1 2 325.376 0.661 20 30 ECEDLO C=CCC[N@H+]1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H]1C ZINC000994005988 769995733 /nfs/dbraw/zinc/99/57/33/769995733.db2.gz JBNJWDSSIVUBCU-OCCSQVGLSA-N 1 2 344.419 0.616 20 30 ECEDLO C=CCC[N@@H+]1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H]1C ZINC000994005988 769995743 /nfs/dbraw/zinc/99/57/43/769995743.db2.gz JBNJWDSSIVUBCU-OCCSQVGLSA-N 1 2 344.419 0.616 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@H]1C ZINC000994008798 770001601 /nfs/dbraw/zinc/00/16/01/770001601.db2.gz NGBHLTBZPMHGAL-GHMZBOCLSA-N 1 2 328.800 0.260 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@H]1C ZINC000994008798 770001614 /nfs/dbraw/zinc/00/16/14/770001614.db2.gz NGBHLTBZPMHGAL-GHMZBOCLSA-N 1 2 328.800 0.260 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H]1C ZINC000994168981 770240848 /nfs/dbraw/zinc/24/08/48/770240848.db2.gz QZZSUUBGKDQBKP-RYUDHWBXSA-N 1 2 342.827 0.650 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H]1C ZINC000994168981 770240855 /nfs/dbraw/zinc/24/08/55/770240855.db2.gz QZZSUUBGKDQBKP-RYUDHWBXSA-N 1 2 342.827 0.650 20 30 ECEDLO N#Cc1nccc(N2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)n1 ZINC001055941344 770302427 /nfs/dbraw/zinc/30/24/27/770302427.db2.gz JJQXLSXIRAUXOT-CYBMUJFWSA-N 1 2 337.387 0.456 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)[C@H]1C ZINC000994207829 770307022 /nfs/dbraw/zinc/30/70/22/770307022.db2.gz TWKXSCWFIYKKQI-QWHCGFSZSA-N 1 2 332.404 0.714 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)[C@H]1C ZINC000994207829 770307030 /nfs/dbraw/zinc/30/70/30/770307030.db2.gz TWKXSCWFIYKKQI-QWHCGFSZSA-N 1 2 332.404 0.714 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC3(C2)CCN(C(=O)Cc2[nH]cc[nH+]2)C3)[nH]1 ZINC001018952235 770366126 /nfs/dbraw/zinc/36/61/26/770366126.db2.gz POBOKZZCBDRMKY-UHFFFAOYSA-N 1 2 338.371 0.527 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC3(C2)CCN(C(=O)Cc2c[nH+]c[nH]2)C3)[nH]1 ZINC001018952597 770366968 /nfs/dbraw/zinc/36/69/68/770366968.db2.gz XHBKLDNLZNRBEB-UHFFFAOYSA-N 1 2 338.371 0.527 20 30 ECEDLO C=C(C)CCC(=O)N[C@]1(CO)CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001055972377 770406276 /nfs/dbraw/zinc/40/62/76/770406276.db2.gz BYOACPLXFFXLFE-GOSISDBHSA-N 1 2 348.447 0.789 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cnnn3C)[C@H]2C)nc1 ZINC000994256094 770457085 /nfs/dbraw/zinc/45/70/85/770457085.db2.gz RKRWCSAPNQRUHA-BBRMVZONSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cnnn3C)[C@H]2C)nc1 ZINC000994256094 770457094 /nfs/dbraw/zinc/45/70/94/770457094.db2.gz RKRWCSAPNQRUHA-BBRMVZONSA-N 1 2 338.415 0.974 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001055998150 770501528 /nfs/dbraw/zinc/50/15/28/770501528.db2.gz OKOXWULWQZDQNA-SFHVURJKSA-N 1 2 348.447 0.955 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001019148434 770926892 /nfs/dbraw/zinc/92/68/92/770926892.db2.gz VMQOQELTEPOPEO-YNEHKIRRSA-N 1 2 327.388 0.734 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001019148434 770926901 /nfs/dbraw/zinc/92/69/01/770926901.db2.gz VMQOQELTEPOPEO-YNEHKIRRSA-N 1 2 327.388 0.734 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CCn3c[nH+]cc3C1)C2 ZINC001019366254 771210938 /nfs/dbraw/zinc/21/09/38/771210938.db2.gz BCKZFPSDLPHBDW-UONOGXRCSA-N 1 2 341.415 0.666 20 30 ECEDLO CC(C)C#CC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001056390751 771214541 /nfs/dbraw/zinc/21/45/41/771214541.db2.gz WGAJKOXODWUBOU-IXDOHACOSA-N 1 2 347.459 0.568 20 30 ECEDLO CC(C)C#CC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001056390751 771214542 /nfs/dbraw/zinc/21/45/42/771214542.db2.gz WGAJKOXODWUBOU-IXDOHACOSA-N 1 2 347.459 0.568 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056401433 771226254 /nfs/dbraw/zinc/22/62/54/771226254.db2.gz GLOUIGQXIYPXBH-KBMXLJTQSA-N 1 2 344.415 0.582 20 30 ECEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)[C@@H]1COCCO1 ZINC001031554779 771271063 /nfs/dbraw/zinc/27/10/63/771271063.db2.gz JDAYRZBKUOIAIS-KRWDZBQOSA-N 1 2 332.375 0.641 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C#CC(C)C)[C@H](OC)C1 ZINC001212240687 771346581 /nfs/dbraw/zinc/34/65/81/771346581.db2.gz ALBDQFXAMYABDM-IAGOWNOFSA-N 1 2 347.459 0.662 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)C#CC(C)C)[C@H](OC)C1 ZINC001212240687 771346585 /nfs/dbraw/zinc/34/65/85/771346585.db2.gz ALBDQFXAMYABDM-IAGOWNOFSA-N 1 2 347.459 0.662 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nc(C(C)C)no3)C2)nn1 ZINC001019483528 771347335 /nfs/dbraw/zinc/34/73/35/771347335.db2.gz TWXPZTUIMSGTRB-LBPRGKRZSA-N 1 2 345.407 0.975 20 30 ECEDLO C[C@H](C[C@@H](C)Nc1ccnc(C#N)n1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001089501490 771359301 /nfs/dbraw/zinc/35/93/01/771359301.db2.gz ZGMXMOZOZNNYMN-VXGBXAGGSA-N 1 2 327.392 0.821 20 30 ECEDLO C[C@H](C[C@@H](C)Nc1ccnc(C#N)n1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001089501490 771359309 /nfs/dbraw/zinc/35/93/09/771359309.db2.gz ZGMXMOZOZNNYMN-VXGBXAGGSA-N 1 2 327.392 0.821 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)c1 ZINC000994616859 771440198 /nfs/dbraw/zinc/44/01/98/771440198.db2.gz SOFIMVQXLXQONC-CQSZACIVSA-N 1 2 349.394 0.463 20 30 ECEDLO C#CCOCCC(=O)NC[C@H]1CN(c2cc[nH+]c(C)n2)CCCO1 ZINC001089547850 771448921 /nfs/dbraw/zinc/44/89/21/771448921.db2.gz YLQYQUXKRXVKFV-HNNXBMFYSA-N 1 2 332.404 0.536 20 30 ECEDLO N#Cc1ccc(N2CCCO[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC001089548443 771451659 /nfs/dbraw/zinc/45/16/59/771451659.db2.gz LLZYBGWPXFISFD-AWEZNQCLSA-N 1 2 340.387 0.631 20 30 ECEDLO N#Cc1ccc(N2CCCO[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC001089548655 771454530 /nfs/dbraw/zinc/45/45/30/771454530.db2.gz NFAQELWVBOQQOZ-CYBMUJFWSA-N 1 2 341.375 0.026 20 30 ECEDLO N#Cc1ccc(N2CCCO[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC001089548658 771454576 /nfs/dbraw/zinc/45/45/76/771454576.db2.gz NFAQELWVBOQQOZ-ZDUSSCGKSA-N 1 2 341.375 0.026 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000994630694 771491437 /nfs/dbraw/zinc/49/14/37/771491437.db2.gz RLSZXPWYUIIVLT-WQVCFCJDSA-N 1 2 344.415 0.364 20 30 ECEDLO COc1cccc(C[N@@H+]2C[C@@H](NC(=O)C#CC3CC3)[C@H](OC)C2)n1 ZINC001212244177 771502566 /nfs/dbraw/zinc/50/25/66/771502566.db2.gz IFXZXTVSXPLETD-HZPDHXFCSA-N 1 2 329.400 0.819 20 30 ECEDLO COc1cccc(C[N@H+]2C[C@@H](NC(=O)C#CC3CC3)[C@H](OC)C2)n1 ZINC001212244177 771502568 /nfs/dbraw/zinc/50/25/68/771502568.db2.gz IFXZXTVSXPLETD-HZPDHXFCSA-N 1 2 329.400 0.819 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1CCC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001056681665 771508997 /nfs/dbraw/zinc/50/89/97/771508997.db2.gz PVFIWHDLURZPKI-OFQRWUPVSA-N 1 2 346.431 0.993 20 30 ECEDLO C#CCOCCC(=O)N1C[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001056707692 771538020 /nfs/dbraw/zinc/53/80/20/771538020.db2.gz UMFOZLOQJVDPNI-LSDHHAIUSA-N 1 2 344.415 0.442 20 30 ECEDLO C=CCN1CC[C@@H]([NH2+]Cc2cn([C@H]3CCN(C(=O)CC)C3)nn2)C1=O ZINC001089573572 771540824 /nfs/dbraw/zinc/54/08/24/771540824.db2.gz HRKYCMBEALZXFS-LSDHHAIUSA-N 1 2 346.435 0.338 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1C[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001056725416 771560829 /nfs/dbraw/zinc/56/08/29/771560829.db2.gz PWOAMPAYPJNWJW-OFQRWUPVSA-N 1 2 346.431 0.993 20 30 ECEDLO N#Cc1nccc(N[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)n1 ZINC001056726158 771560842 /nfs/dbraw/zinc/56/08/42/771560842.db2.gz UBYKRDICXNMYPJ-QWHCGFSZSA-N 1 2 337.387 0.242 20 30 ECEDLO N#Cc1cncc(N[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)n1 ZINC001056725898 771560854 /nfs/dbraw/zinc/56/08/54/771560854.db2.gz JLJKZKPHXQXICM-QWHCGFSZSA-N 1 2 337.387 0.820 20 30 ECEDLO N#Cc1nccnc1N[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001056726136 771560960 /nfs/dbraw/zinc/56/09/60/771560960.db2.gz RWDRTAQUDWRHSJ-CHWSQXEVSA-N 1 2 337.387 0.820 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001042211157 782944511 /nfs/dbraw/zinc/94/45/11/782944511.db2.gz OEUZMAOTSGVVMJ-IAQYHMDHSA-N 1 2 330.363 0.605 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC001042211157 782944513 /nfs/dbraw/zinc/94/45/13/782944513.db2.gz OEUZMAOTSGVVMJ-IAQYHMDHSA-N 1 2 330.363 0.605 20 30 ECEDLO CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001056941954 771839829 /nfs/dbraw/zinc/83/98/29/771839829.db2.gz MNNPQOCTHGCHAV-CYBMUJFWSA-N 1 2 325.376 0.362 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](N(C)c2cnc(C#N)cn2)C1 ZINC001056949404 771852802 /nfs/dbraw/zinc/85/28/02/771852802.db2.gz KLBYMCPMDCORBL-CYBMUJFWSA-N 1 2 325.376 0.660 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]2OCCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001019881236 771952815 /nfs/dbraw/zinc/95/28/15/771952815.db2.gz AJKCZJJKIWTVHP-CABCVRRESA-N 1 2 342.399 0.194 20 30 ECEDLO COCCc1nc(C[NH2+][C@H]2C[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)no1 ZINC001020058609 772114942 /nfs/dbraw/zinc/11/49/42/772114942.db2.gz PJLJAFQAOOEILC-HAQNSBGRSA-N 1 2 344.375 0.509 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@H]2C)C1 ZINC001020146099 772215203 /nfs/dbraw/zinc/21/52/03/772215203.db2.gz RRYGMHGJIZHWIP-KKUMJFAQSA-N 1 2 335.448 0.779 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H]2C)C1 ZINC001020146099 772215208 /nfs/dbraw/zinc/21/52/08/772215208.db2.gz RRYGMHGJIZHWIP-KKUMJFAQSA-N 1 2 335.448 0.779 20 30 ECEDLO C=CCOCC(=O)N(CCO)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001057196363 772256131 /nfs/dbraw/zinc/25/61/31/772256131.db2.gz DYCNRGUZLHAWKH-UHFFFAOYSA-N 1 2 346.387 0.316 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCN1C(=O)C#CC1CC1 ZINC001020250477 772349948 /nfs/dbraw/zinc/34/99/48/772349948.db2.gz KWOVBERPCJYRHZ-LXZKKBNFSA-N 1 2 340.427 0.965 20 30 ECEDLO C#CCCCCC(=O)N(CCO)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001057388336 772555772 /nfs/dbraw/zinc/55/57/72/772555772.db2.gz NKHQVFAVTDUPRL-UHFFFAOYSA-N 1 2 334.420 0.391 20 30 ECEDLO C[C@@H](CC(=O)N(CCO)CCNC(=O)C#CC(C)(C)C)n1cc[nH+]c1 ZINC001057610082 772811643 /nfs/dbraw/zinc/81/16/43/772811643.db2.gz ZOKMFLLEPXCCIO-HNNXBMFYSA-N 1 2 348.447 0.821 20 30 ECEDLO CC(C)(C(=O)N1CCC[C@@H](Nc2ccnc(C#N)n2)C1)c1c[nH+]c[nH]1 ZINC001057670966 772897937 /nfs/dbraw/zinc/89/79/37/772897937.db2.gz JDRVCBXXDYILJM-GFCCVEGCSA-N 1 2 339.403 0.874 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001057674351 772900066 /nfs/dbraw/zinc/90/00/66/772900066.db2.gz IVRPPXVMADKPES-GFCCVEGCSA-N 1 2 325.376 0.447 20 30 ECEDLO C=CCC(CC=C)C(=O)N(CCO)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001057681621 772907875 /nfs/dbraw/zinc/90/78/75/772907875.db2.gz PTXSJURWIYHUJE-UHFFFAOYSA-N 1 2 334.420 0.658 20 30 ECEDLO C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)CCn1cc[nH+]c1 ZINC001057697654 772922523 /nfs/dbraw/zinc/92/25/23/772922523.db2.gz VUEPPASMLPNIMZ-UHFFFAOYSA-N 1 2 336.436 0.813 20 30 ECEDLO C#CCCCCC(=O)NCCN(CCO)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001057711107 772934939 /nfs/dbraw/zinc/93/49/39/772934939.db2.gz JCXRMLWPYUSRRX-OAHLLOKOSA-N 1 2 348.447 0.719 20 30 ECEDLO C#CCCCCC(=O)NCCN(CCO)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001057711107 772934941 /nfs/dbraw/zinc/93/49/41/772934941.db2.gz JCXRMLWPYUSRRX-OAHLLOKOSA-N 1 2 348.447 0.719 20 30 ECEDLO C=C(C)CCC(=O)N(CCO)CCNC(=O)CCCn1cc[nH+]c1 ZINC001057807829 773008533 /nfs/dbraw/zinc/00/85/33/773008533.db2.gz SFFPLZYYSMLBED-UHFFFAOYSA-N 1 2 336.436 0.957 20 30 ECEDLO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001057947017 773250760 /nfs/dbraw/zinc/25/07/60/773250760.db2.gz OLWSWOCDTAQHSU-AWEZNQCLSA-N 1 2 348.447 0.595 20 30 ECEDLO CC#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001040604957 783088770 /nfs/dbraw/zinc/08/87/70/783088770.db2.gz FYEYCMNZAMYSMZ-SFHVURJKSA-N 1 2 346.431 0.534 20 30 ECEDLO CC#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001040609021 783096135 /nfs/dbraw/zinc/09/61/35/783096135.db2.gz LGEUVXUQPLAPCP-KRWDZBQOSA-N 1 2 332.404 0.156 20 30 ECEDLO CC#CCCCC(=O)NC[C@@]1(O)CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001040609085 783096904 /nfs/dbraw/zinc/09/69/04/783096904.db2.gz LXUNSVHIZDDSGD-SFHVURJKSA-N 1 2 346.431 0.616 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)Cc1c[nH+]cn1C ZINC001058159724 773664493 /nfs/dbraw/zinc/66/44/93/773664493.db2.gz VECUOAYHFXTSDB-AWEZNQCLSA-N 1 2 336.436 0.502 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NCCN(CCO)C(=O)Cc1[nH]c[nH+]c1C ZINC001058263504 773874589 /nfs/dbraw/zinc/87/45/89/773874589.db2.gz NJZCPMMAPNVFPY-KRWDZBQOSA-N 1 2 336.436 0.800 20 30 ECEDLO C#Cc1ccc(C(=O)N(CCO)CCNC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001058273662 773901036 /nfs/dbraw/zinc/90/10/36/773901036.db2.gz UHPQPVMXELXGLF-UHFFFAOYSA-N 1 2 340.383 0.184 20 30 ECEDLO C=C[C@H](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001040630194 783135881 /nfs/dbraw/zinc/13/58/81/783135881.db2.gz QSLLVLNVTKFUDJ-PBHICJAKSA-N 1 2 334.420 0.565 20 30 ECEDLO C#CCCCCCC(=O)N(CCO)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001058307796 773945665 /nfs/dbraw/zinc/94/56/65/773945665.db2.gz XHWQDTPFGPHIFS-UHFFFAOYSA-N 1 2 348.447 0.781 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001040634406 783143836 /nfs/dbraw/zinc/14/38/36/783143836.db2.gz ZIALEEKEEWHRHZ-DYVFJYSZSA-N 1 2 334.420 0.634 20 30 ECEDLO C[C@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CN1c1ccc(C#N)nn1 ZINC001039817867 783145403 /nfs/dbraw/zinc/14/54/03/783145403.db2.gz IXSZGVKEWHYKHU-WCQYABFASA-N 1 2 325.376 0.788 20 30 ECEDLO C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CN1c1ccnc(C#N)n1 ZINC001039817876 783145853 /nfs/dbraw/zinc/14/58/53/783145853.db2.gz IYVZVQBTIMPJHY-VXGBXAGGSA-N 1 2 325.376 0.788 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C1 ZINC001058548371 774412780 /nfs/dbraw/zinc/41/27/80/774412780.db2.gz NECSHCCJILJMRX-MRVWCRGKSA-N 1 2 337.387 0.580 20 30 ECEDLO N#Cc1cnccc1N1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001044768157 774591149 /nfs/dbraw/zinc/59/11/49/774591149.db2.gz XPMQCUNXLLYRHF-WBVHZDCISA-N 1 2 348.366 0.809 20 30 ECEDLO C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1CNc1ccnc(C#N)n1 ZINC001039870682 783209294 /nfs/dbraw/zinc/20/92/94/783209294.db2.gz ISEIGNOKYRGMBK-UONOGXRCSA-N 1 2 339.403 0.563 20 30 ECEDLO C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001045069243 774929161 /nfs/dbraw/zinc/92/91/61/774929161.db2.gz QQVPVMFCWNLLRE-CYBMUJFWSA-N 1 2 334.420 0.254 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CCC[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001045290790 775331398 /nfs/dbraw/zinc/33/13/98/775331398.db2.gz NZHFNAVOXHUCBX-INIZCTEOSA-N 1 2 338.415 0.515 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccn(C)c2CC)[C@@H](n2ccnn2)C1 ZINC001070027675 790378416 /nfs/dbraw/zinc/37/84/16/790378416.db2.gz URSQZVTVGKGALB-ZBFHGGJFSA-N 1 2 326.404 0.468 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccn(C)c2CC)[C@@H](n2ccnn2)C1 ZINC001070027675 790378426 /nfs/dbraw/zinc/37/84/26/790378426.db2.gz URSQZVTVGKGALB-ZBFHGGJFSA-N 1 2 326.404 0.468 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(F)c(OC)c2)[C@@H](n2ccnn2)C1 ZINC001070028763 790383233 /nfs/dbraw/zinc/38/32/33/790383233.db2.gz BXRYAMDCVHTALB-CABCVRRESA-N 1 2 343.362 0.714 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(F)c(OC)c2)[C@@H](n2ccnn2)C1 ZINC001070028763 790383234 /nfs/dbraw/zinc/38/32/34/790383234.db2.gz BXRYAMDCVHTALB-CABCVRRESA-N 1 2 343.362 0.714 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(C3CC3)no2)[C@@H](n2ccnn2)C1 ZINC001070042303 790430056 /nfs/dbraw/zinc/43/00/56/790430056.db2.gz FPTYJKPTYHNHOA-KGLIPLIRSA-N 1 2 328.376 0.985 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(C3CC3)no2)[C@@H](n2ccnn2)C1 ZINC001070042303 790430066 /nfs/dbraw/zinc/43/00/66/790430066.db2.gz FPTYJKPTYHNHOA-KGLIPLIRSA-N 1 2 328.376 0.985 20 30 ECEDLO C#CCCCCCC(=O)NCC1(O)CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001044469683 776330396 /nfs/dbraw/zinc/33/03/96/776330396.db2.gz FCPRUHOSHNVBRZ-UHFFFAOYSA-N 1 2 346.431 0.616 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001044667085 776608415 /nfs/dbraw/zinc/60/84/15/776608415.db2.gz PDJMNMQHQNIWJP-UHFFFAOYSA-N 1 2 348.447 0.645 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001079775275 776848068 /nfs/dbraw/zinc/84/80/68/776848068.db2.gz VYEBRDIFAFQSDT-CYBMUJFWSA-N 1 2 346.431 0.785 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001079776189 776849989 /nfs/dbraw/zinc/84/99/89/776849989.db2.gz CKVUUFZFWLNNOM-CQSZACIVSA-N 1 2 346.431 0.450 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)CCc2c[nH+]cn2C)C1 ZINC001080247003 777606500 /nfs/dbraw/zinc/60/65/00/777606500.db2.gz SVQGICOTZDMRQC-CQSZACIVSA-N 1 2 346.431 0.450 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2csc(C)n2)[C@@H](n2ccnn2)C1 ZINC001070091677 790572301 /nfs/dbraw/zinc/57/23/01/790572301.db2.gz ZZMJYSKMNFMHPW-CABCVRRESA-N 1 2 344.444 0.651 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2csc(C)n2)[C@@H](n2ccnn2)C1 ZINC001070091677 790572308 /nfs/dbraw/zinc/57/23/08/790572308.db2.gz ZZMJYSKMNFMHPW-CABCVRRESA-N 1 2 344.444 0.651 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cnnn2CC)C[C@H]1C ZINC001080472490 777907439 /nfs/dbraw/zinc/90/74/39/777907439.db2.gz ZDPFFBKCAQXIAV-MIGQKNRLSA-N 1 2 333.436 0.826 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cnnn2CC)C[C@H]1C ZINC001080472490 777907446 /nfs/dbraw/zinc/90/74/46/777907446.db2.gz ZDPFFBKCAQXIAV-MIGQKNRLSA-N 1 2 333.436 0.826 20 30 ECEDLO C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001043206114 777957501 /nfs/dbraw/zinc/95/75/01/777957501.db2.gz VDOLFYWGANJYMV-UHFFFAOYSA-N 1 2 334.420 0.254 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001043226442 778007602 /nfs/dbraw/zinc/00/76/02/778007602.db2.gz WKBHTKUBDSZTHE-SUMWQHHRSA-N 1 2 348.447 0.880 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001043226442 778007612 /nfs/dbraw/zinc/00/76/12/778007612.db2.gz WKBHTKUBDSZTHE-SUMWQHHRSA-N 1 2 348.447 0.880 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)O2 ZINC001068568714 790593696 /nfs/dbraw/zinc/59/36/96/790593696.db2.gz XGQPKDANTDNUCI-STQMWFEESA-N 1 2 345.403 0.378 20 30 ECEDLO C=C(C)CCC(=O)NCC1(O)CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001043310340 778138870 /nfs/dbraw/zinc/13/88/70/778138870.db2.gz HCTCJIQOBHSDCQ-UHFFFAOYSA-N 1 2 334.420 0.399 20 30 ECEDLO C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001043319881 778153090 /nfs/dbraw/zinc/15/30/90/778153090.db2.gz LMPHVUBRHDBAQA-CYBMUJFWSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001043319881 778153094 /nfs/dbraw/zinc/15/30/94/778153094.db2.gz LMPHVUBRHDBAQA-CYBMUJFWSA-N 1 2 334.420 0.634 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)[C@@H](n2ccnn2)C1 ZINC001070105936 790622066 /nfs/dbraw/zinc/62/20/66/790622066.db2.gz OYZMFWRNLYVKOC-MCZKYTFGSA-N 1 2 339.443 0.935 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)[C@@H](n2ccnn2)C1 ZINC001070105936 790622072 /nfs/dbraw/zinc/62/20/72/790622072.db2.gz OYZMFWRNLYVKOC-MCZKYTFGSA-N 1 2 339.443 0.935 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001043526311 778469670 /nfs/dbraw/zinc/46/96/70/778469670.db2.gz VNQGBUAAWWAKDW-CYBMUJFWSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001043526311 778469677 /nfs/dbraw/zinc/46/96/77/778469677.db2.gz VNQGBUAAWWAKDW-CYBMUJFWSA-N 1 2 334.420 0.634 20 30 ECEDLO C#CCC1(C(=O)N2CC(O)(CNC(=O)CCc3c[nH]c[nH+]3)C2)CCC1 ZINC001043526334 778470083 /nfs/dbraw/zinc/47/00/83/778470083.db2.gz WHWMQYVXGCGVEG-UHFFFAOYSA-N 1 2 344.415 0.225 20 30 ECEDLO C#CCC1(C(=O)N2CC(O)(CNC(=O)CCc3c[nH+]c[nH]3)C2)CCC1 ZINC001043526334 778470087 /nfs/dbraw/zinc/47/00/87/778470087.db2.gz WHWMQYVXGCGVEG-UHFFFAOYSA-N 1 2 344.415 0.225 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2csc(COC)n2)[C@@H](n2ccnn2)C1 ZINC001070107312 790625516 /nfs/dbraw/zinc/62/55/16/790625516.db2.gz ZMHZQCKRAMMEMX-YPMHNXCESA-N 1 2 348.432 0.722 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2csc(COC)n2)[C@@H](n2ccnn2)C1 ZINC001070107312 790625525 /nfs/dbraw/zinc/62/55/25/790625525.db2.gz ZMHZQCKRAMMEMX-YPMHNXCESA-N 1 2 348.432 0.722 20 30 ECEDLO C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001043622873 778612094 /nfs/dbraw/zinc/61/20/94/778612094.db2.gz LFOFRHANKSYIDA-CQSZACIVSA-N 1 2 346.431 0.491 20 30 ECEDLO C#CCCCCC(=O)N1CC(O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001043696562 778737424 /nfs/dbraw/zinc/73/74/24/778737424.db2.gz BWBMEYLLRBFECQ-UHFFFAOYSA-N 1 2 346.431 0.546 20 30 ECEDLO C#CCCCC(=O)N1CC(O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001043700072 778741969 /nfs/dbraw/zinc/74/19/69/778741969.db2.gz SHQWSNHMZGOBEP-UHFFFAOYSA-N 1 2 332.404 0.156 20 30 ECEDLO CC(C)(C)C#CC(=O)NC1(CNC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001070113202 790648709 /nfs/dbraw/zinc/64/87/09/790648709.db2.gz LRYOXTJNRREPOK-UHFFFAOYSA-N 1 2 346.431 0.783 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001043712638 778760640 /nfs/dbraw/zinc/76/06/40/778760640.db2.gz ZNCBNFFAOKIPBG-UHFFFAOYSA-N 1 2 340.811 0.351 20 30 ECEDLO C#CCCCCC(=O)NCC1(NC(=O)Cn2cc[nH+]c2)CCOCC1 ZINC001070159319 790785809 /nfs/dbraw/zinc/78/58/09/790785809.db2.gz YFCZDFRCKMTDNJ-UHFFFAOYSA-N 1 2 346.431 0.858 20 30 ECEDLO CCN(C(=O)CSCC#N)C1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001079343570 781007851 /nfs/dbraw/zinc/00/78/51/781007851.db2.gz MBPTXIQNNSBLTE-UHFFFAOYSA-N 1 2 335.433 0.658 20 30 ECEDLO CCN(C(=O)CSCC#N)C1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001079343570 781007861 /nfs/dbraw/zinc/00/78/61/781007861.db2.gz MBPTXIQNNSBLTE-UHFFFAOYSA-N 1 2 335.433 0.658 20 30 ECEDLO CC(C)C#CC(=O)NCC1(O)CN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001042941921 781074658 /nfs/dbraw/zinc/07/46/58/781074658.db2.gz UXKOCBPWKAWXRM-UHFFFAOYSA-N 1 2 340.383 0.297 20 30 ECEDLO CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001042987561 781142628 /nfs/dbraw/zinc/14/26/28/781142628.db2.gz VKNRDESVKFLSKN-ZIAGYGMSSA-N 1 2 326.360 0.239 20 30 ECEDLO C[C@H](CC(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1)n1cc[nH+]c1 ZINC001043077559 781284707 /nfs/dbraw/zinc/28/47/07/781284707.db2.gz PNFMEKFVGMVIFB-CQSZACIVSA-N 1 2 346.431 0.573 20 30 ECEDLO CC(C)C#CC(=O)N1CC(O)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001043078302 781288064 /nfs/dbraw/zinc/28/80/64/781288064.db2.gz WUJWCQNLJVJRLJ-AWEZNQCLSA-N 1 2 332.404 0.183 20 30 ECEDLO CC#CCCCC(=O)N1CC(O)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001043082638 781294289 /nfs/dbraw/zinc/29/42/89/781294289.db2.gz SFPFHIXOUUPRFA-OAHLLOKOSA-N 1 2 346.431 0.717 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3cnc(C)s3)C[C@H]2O)c1 ZINC001077647903 781420864 /nfs/dbraw/zinc/42/08/64/781420864.db2.gz RHWONYDWGTZRCL-HZPDHXFCSA-N 1 2 342.424 0.803 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3cnc(C)s3)C[C@H]2O)c1 ZINC001077647903 781420867 /nfs/dbraw/zinc/42/08/67/781420867.db2.gz RHWONYDWGTZRCL-HZPDHXFCSA-N 1 2 342.424 0.803 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040696698 783287976 /nfs/dbraw/zinc/28/79/76/783287976.db2.gz MLNYFZJKYWWABC-SUMWQHHRSA-N 1 2 334.420 0.634 20 30 ECEDLO C[C@H]1[C@@H](Nc2ccc(C#N)nn2)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001040071049 783484113 /nfs/dbraw/zinc/48/41/13/783484113.db2.gz UYLOFPTYLSCETA-FPMFFAJLSA-N 1 2 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C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cccn2C)C1 ZINC001070903745 784083908 /nfs/dbraw/zinc/08/39/08/784083908.db2.gz PFNDIWBVPJNMDV-IMJJTQAJSA-N 1 2 344.415 0.931 20 30 ECEDLO CC#CC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)C#N)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442693 784086517 /nfs/dbraw/zinc/08/65/17/784086517.db2.gz MUHDMQFASVZXKR-GXTWGEPZSA-N 1 2 326.404 0.524 20 30 ECEDLO CC#CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCOC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070442796 784088255 /nfs/dbraw/zinc/08/82/55/784088255.db2.gz PNYCOAWATJEXJE-GJZGRUSLSA-N 1 2 343.431 0.401 20 30 ECEDLO C=CC[NH+]1CC2(C1)CN(C(=O)Cc1cc[nH]n1)C[C@H]2c1nnc(C)[nH]1 ZINC001070444948 784095732 /nfs/dbraw/zinc/09/57/32/784095732.db2.gz YGPMMYKMPWHLRF-AWEZNQCLSA-N 1 2 341.419 0.493 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cnco2)C1 ZINC001070916857 784109490 /nfs/dbraw/zinc/10/94/90/784109490.db2.gz ZLOJZVXWXIXZCL-GUTXKFCHSA-N 1 2 344.371 0.417 20 30 ECEDLO 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784866673 /nfs/dbraw/zinc/86/66/73/784866673.db2.gz QNULBYCOFWVYHA-JKSUJKDBSA-N 1 2 335.448 0.570 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@@H](CC)OC)C2)C(=O)C1 ZINC001071258774 784866682 /nfs/dbraw/zinc/86/66/82/784866682.db2.gz QNULBYCOFWVYHA-JKSUJKDBSA-N 1 2 335.448 0.570 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@H](O)C(C)C)C2)C(=O)C1 ZINC001071264427 784885250 /nfs/dbraw/zinc/88/52/50/784885250.db2.gz VXZGZUVNIFDKBT-DOTOQJQBSA-N 1 2 335.448 0.162 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@H](O)C(C)C)C2)C(=O)C1 ZINC001071264427 784885257 /nfs/dbraw/zinc/88/52/57/784885257.db2.gz VXZGZUVNIFDKBT-DOTOQJQBSA-N 1 2 335.448 0.162 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](N2CC[N@@H+](CC)CC2=O)C1 ZINC001071274115 784912001 /nfs/dbraw/zinc/91/20/01/784912001.db2.gz PWLSIAPGFNJLEL-OAGGEKHMSA-N 1 2 335.448 0.733 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](N2CC[N@H+](CC)CC2=O)C1 ZINC001071274115 784912005 /nfs/dbraw/zinc/91/20/05/784912005.db2.gz 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C=CCCC(=O)N[C@H]1COC2(CN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001068752875 791074683 /nfs/dbraw/zinc/07/46/83/791074683.db2.gz IRFSBPFGOQWDFT-CQSZACIVSA-N 1 2 346.431 0.805 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CN2CCOCC2=O)CC[C@H]1C ZINC001071572316 785325561 /nfs/dbraw/zinc/32/55/61/785325561.db2.gz UJXPUVYTLLJZKU-OLZOCXBDSA-N 1 2 329.828 0.567 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2=O)CC[C@H]1C ZINC001071572316 785325571 /nfs/dbraw/zinc/32/55/71/785325571.db2.gz UJXPUVYTLLJZKU-OLZOCXBDSA-N 1 2 329.828 0.567 20 30 ECEDLO C=CCCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001072332810 786038996 /nfs/dbraw/zinc/03/89/96/786038996.db2.gz FRZGRYVEVAAECW-KGLIPLIRSA-N 1 2 334.420 0.898 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@H](NC(=O)CSCC#N)C1 ZINC001072480192 786249351 /nfs/dbraw/zinc/24/93/51/786249351.db2.gz AHUAVYDQMYKZMI-GXFFZTMASA-N 1 2 335.433 0.481 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1NC(=O)C#CC1CC1 ZINC001072510907 786302966 /nfs/dbraw/zinc/30/29/66/786302966.db2.gz SVJOTJLHAUINJU-HIFRSBDPSA-N 1 2 328.416 0.729 20 30 ECEDLO CC(C)C#CC(=O)N[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001072511166 786303596 /nfs/dbraw/zinc/30/35/96/786303596.db2.gz XJRSVZOFGXCCRV-CABCVRRESA-N 1 2 330.432 0.975 20 30 ECEDLO CC(C)C#CC(=O)N[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001072511167 786303617 /nfs/dbraw/zinc/30/36/17/786303617.db2.gz XJRSVZOFGXCCRV-GJZGRUSLSA-N 1 2 330.432 0.975 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001074263793 786540139 /nfs/dbraw/zinc/54/01/39/786540139.db2.gz PBQAOLVYDSAALK-HIFRSBDPSA-N 1 2 332.404 0.345 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N1CC[C@@H]2OCCN(CC#N)[C@H]2C1 ZINC001074277118 786571838 /nfs/dbraw/zinc/57/18/38/786571838.db2.gz XDKYGJQGCRAKOE-HOCLYGCPSA-N 1 2 330.388 0.458 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C[C@H]21 ZINC001074285107 786593349 /nfs/dbraw/zinc/59/33/49/786593349.db2.gz VPGBLSFWWPWULV-CVEARBPZSA-N 1 2 331.416 0.877 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C[C@H]21 ZINC001074285107 786593358 /nfs/dbraw/zinc/59/33/58/786593358.db2.gz VPGBLSFWWPWULV-CVEARBPZSA-N 1 2 331.416 0.877 20 30 ECEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3coc(C(N)=O)c3)C[C@H]21 ZINC001074302681 786635206 /nfs/dbraw/zinc/63/52/06/786635206.db2.gz VCROBTILCSNYAG-ZIAGYGMSSA-N 1 2 333.388 0.870 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3coc(C(N)=O)c3)C[C@H]21 ZINC001074302681 786635212 /nfs/dbraw/zinc/63/52/12/786635212.db2.gz VCROBTILCSNYAG-ZIAGYGMSSA-N 1 2 333.388 0.870 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccnc(OC)c3)C[C@@H]21 ZINC001074338003 786703035 /nfs/dbraw/zinc/70/30/35/786703035.db2.gz GVRIFSFJJQJBRV-DLBZAZTESA-N 1 2 343.427 0.958 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccnc(OC)c3)C[C@@H]21 ZINC001074338003 786703038 /nfs/dbraw/zinc/70/30/38/786703038.db2.gz GVRIFSFJJQJBRV-DLBZAZTESA-N 1 2 343.427 0.958 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCc3cnn(C)n3)C[C@H]21 ZINC001074340339 786708231 /nfs/dbraw/zinc/70/82/31/786708231.db2.gz ICTZNQDLJMCWIW-CVEARBPZSA-N 1 2 331.420 0.073 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCc3cnn(C)n3)C[C@H]21 ZINC001074340339 786708236 /nfs/dbraw/zinc/70/82/36/786708236.db2.gz ICTZNQDLJMCWIW-CVEARBPZSA-N 1 2 331.420 0.073 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3c[nH]c(=O)cc3OC)C[C@H]21 ZINC001074341218 786710904 /nfs/dbraw/zinc/71/09/04/786710904.db2.gz QQWXLSTVIGFHSX-CABCVRRESA-N 1 2 345.399 0.734 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3c[nH]c(=O)cc3OC)C[C@H]21 ZINC001074341218 786710911 /nfs/dbraw/zinc/71/09/11/786710911.db2.gz QQWXLSTVIGFHSX-CABCVRRESA-N 1 2 345.399 0.734 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)COC3CCOCC3)C[C@@H]21 ZINC001074347792 786726097 /nfs/dbraw/zinc/72/60/97/786726097.db2.gz AZLMSVWOEYVVFP-DLBZAZTESA-N 1 2 336.432 0.507 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)COC3CCOCC3)C[C@@H]21 ZINC001074347792 786726103 /nfs/dbraw/zinc/72/61/03/786726103.db2.gz AZLMSVWOEYVVFP-DLBZAZTESA-N 1 2 336.432 0.507 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H]2OCC[N@@H+](CCCO)[C@@H]2C1 ZINC001074392055 786835380 /nfs/dbraw/zinc/83/53/80/786835380.db2.gz DBTXBIMXHBNHTD-MOPGFXCFSA-N 1 2 342.439 0.895 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H]2OCC[N@H+](CCCO)[C@@H]2C1 ZINC001074392055 786835393 /nfs/dbraw/zinc/83/53/93/786835393.db2.gz DBTXBIMXHBNHTD-MOPGFXCFSA-N 1 2 342.439 0.895 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)C2CCC2)CC1 ZINC001074404065 786871611 /nfs/dbraw/zinc/87/16/11/786871611.db2.gz PRVROJOUZYMDQR-INIZCTEOSA-N 1 2 347.459 0.354 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)C2CCC2)CC1 ZINC001074404065 786871621 /nfs/dbraw/zinc/87/16/21/786871621.db2.gz PRVROJOUZYMDQR-INIZCTEOSA-N 1 2 347.459 0.354 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCn3cc(C)cn3)C[C@@H]21 ZINC001074415148 786912124 /nfs/dbraw/zinc/91/21/24/786912124.db2.gz LMMRHNPMBCUFHG-DLBZAZTESA-N 1 2 330.432 0.907 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCn3cc(C)cn3)C[C@@H]21 ZINC001074415148 786912128 /nfs/dbraw/zinc/91/21/28/786912128.db2.gz LMMRHNPMBCUFHG-DLBZAZTESA-N 1 2 330.432 0.907 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCCO[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001073674882 786943378 /nfs/dbraw/zinc/94/33/78/786943378.db2.gz QRRSGOPLJFEZAI-OAHLLOKOSA-N 1 2 340.387 0.697 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCCO[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001073674882 786943388 /nfs/dbraw/zinc/94/33/88/786943388.db2.gz QRRSGOPLJFEZAI-OAHLLOKOSA-N 1 2 340.387 0.697 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1NC(=O)CSCC#N ZINC001073744622 787107388 /nfs/dbraw/zinc/10/73/88/787107388.db2.gz ONLVYSLEEMWLIG-QWHCGFSZSA-N 1 2 349.460 0.952 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001073769442 787167701 /nfs/dbraw/zinc/16/77/01/787167701.db2.gz HGYGTBXGTGGIDO-HZSPNIEDSA-N 1 2 343.855 0.670 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001073769442 787167704 /nfs/dbraw/zinc/16/77/04/787167704.db2.gz HGYGTBXGTGGIDO-HZSPNIEDSA-N 1 2 343.855 0.670 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cnnn2C)CCCO1 ZINC001073774247 787179291 /nfs/dbraw/zinc/17/92/91/787179291.db2.gz COJZWWFTRWFTJT-OAGGEKHMSA-N 1 2 349.435 0.113 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cnnn2C)CCCO1 ZINC001073774247 787179298 /nfs/dbraw/zinc/17/92/98/787179298.db2.gz COJZWWFTRWFTJT-OAGGEKHMSA-N 1 2 349.435 0.113 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001073837806 787319750 /nfs/dbraw/zinc/31/97/50/787319750.db2.gz UYIVFSUVGHBYLS-LBPRGKRZSA-N 1 2 340.811 0.687 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001073837806 787319759 /nfs/dbraw/zinc/31/97/59/787319759.db2.gz UYIVFSUVGHBYLS-LBPRGKRZSA-N 1 2 340.811 0.687 20 30 ECEDLO C=CCCCC(=O)NCC1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001074692197 787613073 /nfs/dbraw/zinc/61/30/73/787613073.db2.gz AZNLHNVJCQCNDH-UHFFFAOYSA-N 1 2 334.420 0.778 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)CC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001074024754 787708233 /nfs/dbraw/zinc/70/82/33/787708233.db2.gz IQHWWUPNCAWHIA-TZMCWYRMSA-N 1 2 349.460 0.952 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)CC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001074024754 787708236 /nfs/dbraw/zinc/70/82/36/787708236.db2.gz IQHWWUPNCAWHIA-TZMCWYRMSA-N 1 2 349.460 0.952 20 30 ECEDLO C=CCCOCC(=O)N[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001074029107 787722306 /nfs/dbraw/zinc/72/23/06/787722306.db2.gz AJJRVJRJRVZLPH-KGLIPLIRSA-N 1 2 334.420 0.898 20 30 ECEDLO Cn1cc(C[N@@H+]2CCC3(CN(C(=O)c4cc(C#N)c[nH]4)C3)C2)nn1 ZINC001072595263 788391737 /nfs/dbraw/zinc/39/17/37/788391737.db2.gz KFPOFWQCZIWJIJ-UHFFFAOYSA-N 1 2 325.376 0.363 20 30 ECEDLO Cn1cc(C[N@H+]2CCC3(CN(C(=O)c4cc(C#N)c[nH]4)C3)C2)nn1 ZINC001072595263 788391748 /nfs/dbraw/zinc/39/17/48/788391748.db2.gz KFPOFWQCZIWJIJ-UHFFFAOYSA-N 1 2 325.376 0.363 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001072686882 788593599 /nfs/dbraw/zinc/59/35/99/788593599.db2.gz ZHQXZSBOMAYFBA-SNVBAGLBSA-N 1 2 344.209 0.538 20 30 ECEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)[C@H]3COC(=O)N3)C2)C1 ZINC001072686882 788593607 /nfs/dbraw/zinc/59/36/07/788593607.db2.gz ZHQXZSBOMAYFBA-SNVBAGLBSA-N 1 2 344.209 0.538 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001075087019 788881472 /nfs/dbraw/zinc/88/14/72/788881472.db2.gz UUABDZJJYKQWFX-GJZGRUSLSA-N 1 2 334.420 0.972 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC([C@@H]2OCCC[C@H]2NCC#N)CC1 ZINC001075416285 789345093 /nfs/dbraw/zinc/34/50/93/789345093.db2.gz WYESIPIVGIDHBL-AEFFLSMTSA-N 1 2 345.447 0.862 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCCN1c1ccnc(C#N)n1 ZINC001069375097 789782651 /nfs/dbraw/zinc/78/26/51/789782651.db2.gz DARWPRDWSLJZGT-OCCSQVGLSA-N 1 2 339.403 0.798 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1c1cncc(C#N)n1 ZINC001069415277 789811327 /nfs/dbraw/zinc/81/13/27/789811327.db2.gz NFYCXRJMCWWJFE-BXUZGUMPSA-N 1 2 325.376 0.788 20 30 ECEDLO C[C@H]1[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1c1ccc(C#N)nn1 ZINC001069416028 789811406 /nfs/dbraw/zinc/81/14/06/789811406.db2.gz ZHZOLQBQBRFCQO-SMDDNHRTSA-N 1 2 325.376 0.788 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@H](CNc2ccnc(C#N)n2)C1 ZINC001069475289 789849672 /nfs/dbraw/zinc/84/96/72/789849672.db2.gz DOCBLRZUFPFVDI-QWHCGFSZSA-N 1 2 339.403 0.443 20 30 ECEDLO N#Cc1nccc(NC[C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001069511365 789870198 /nfs/dbraw/zinc/87/01/98/789870198.db2.gz YGLQFGLNOIQHHJ-RYUDHWBXSA-N 1 2 325.376 0.433 20 30 ECEDLO C[C@H](C#N)C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC001073484687 789889154 /nfs/dbraw/zinc/88/91/54/789889154.db2.gz KCKUMXKLZVBOLW-OCCSQVGLSA-N 1 2 331.420 0.866 20 30 ECEDLO CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1Nc1ccnc(C#N)n1 ZINC001069561027 789901887 /nfs/dbraw/zinc/90/18/87/789901887.db2.gz AEQSSSBAJCQLQM-LBPRGKRZSA-N 1 2 339.403 0.775 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001069731382 789993312 /nfs/dbraw/zinc/99/33/12/789993312.db2.gz ZUMZMRNDMRDMOA-SFHVURJKSA-N 1 2 346.431 0.996 20 30 ECEDLO C#CCN1CCn2ncc(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)c2C1 ZINC001069865324 790121480 /nfs/dbraw/zinc/12/14/80/790121480.db2.gz CLCPDOJDTWASLV-CQSZACIVSA-N 1 2 338.415 0.407 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3COCCN3CC)c2C1 ZINC001069866068 790123653 /nfs/dbraw/zinc/12/36/53/790123653.db2.gz WLVKFJHGOMNUSZ-KRWDZBQOSA-N 1 2 347.463 0.612 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3COCCN3CC)c2C1 ZINC001069866068 790123656 /nfs/dbraw/zinc/12/36/56/790123656.db2.gz WLVKFJHGOMNUSZ-KRWDZBQOSA-N 1 2 347.463 0.612 20 30 ECEDLO C=CCC[N@H+]1C[C@@H](NC(=O)c2[nH]nc(C)c2C)[C@@H](n2ccnn2)C1 ZINC001069904739 790173968 /nfs/dbraw/zinc/17/39/68/790173968.db2.gz OBCWRRGNRHWZPO-KGLIPLIRSA-N 1 2 329.408 0.849 20 30 ECEDLO C=CCC[N@@H+]1C[C@@H](NC(=O)c2[nH]nc(C)c2C)[C@@H](n2ccnn2)C1 ZINC001069904739 790173972 /nfs/dbraw/zinc/17/39/72/790173972.db2.gz OBCWRRGNRHWZPO-KGLIPLIRSA-N 1 2 329.408 0.849 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C2CCC(O)CC2)[C@@H](n2ccnn2)C1 ZINC001069916336 790186077 /nfs/dbraw/zinc/18/60/77/790186077.db2.gz RHNKMPHUGSXRAG-FJBKBRRZSA-N 1 2 331.420 0.194 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C2CCC(O)CC2)[C@@H](n2ccnn2)C1 ZINC001069916336 790186079 /nfs/dbraw/zinc/18/60/79/790186079.db2.gz RHNKMPHUGSXRAG-FJBKBRRZSA-N 1 2 331.420 0.194 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccn(C(C)(C)C)n2)[C@@H](n2ccnn2)C1 ZINC001069940083 790214844 /nfs/dbraw/zinc/21/48/44/790214844.db2.gz YBSDZOOKAYNFQL-CABCVRRESA-N 1 2 341.419 0.518 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccn(C(C)(C)C)n2)[C@@H](n2ccnn2)C1 ZINC001069940083 790214845 /nfs/dbraw/zinc/21/48/45/790214845.db2.gz YBSDZOOKAYNFQL-CABCVRRESA-N 1 2 341.419 0.518 20 30 ECEDLO C=CCCC(=O)N1CC2(C1)C[C@H](NC(=O)CCc1[nH]cc[nH+]1)CO2 ZINC001068838274 791233672 /nfs/dbraw/zinc/23/36/72/791233672.db2.gz GFDHOEAPEJCFOM-ZDUSSCGKSA-N 1 2 332.404 0.795 20 30 ECEDLO CC(C)(C)C#CC(=O)N[C@@H]1COC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001068863461 791295409 /nfs/dbraw/zinc/29/54/09/791295409.db2.gz XITMXNCFOAJNLD-AWEZNQCLSA-N 1 2 344.415 0.488 20 30 ECEDLO C[C@@H]1[C@@H](Nc2ccnc(C#N)n2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001068872098 791315362 /nfs/dbraw/zinc/31/53/62/791315362.db2.gz FFFPVJMWSLCCLT-YPMHNXCESA-N 1 2 325.376 0.148 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)C[C@@H](NC(=O)Cn1cc[nH+]c1)CO2 ZINC001068915089 791409137 /nfs/dbraw/zinc/40/91/37/791409137.db2.gz HSYWJCGZDBGVBG-LSDHHAIUSA-N 1 2 346.431 0.972 20 30 ECEDLO C=CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)Cn1cc[nH+]c1)CO2 ZINC001068915918 791411873 /nfs/dbraw/zinc/41/18/73/791411873.db2.gz NZMJBXLJPWMBAD-CQSZACIVSA-N 1 2 332.404 0.726 20 30 ECEDLO C=CC(C)(C)C(=O)N[C@@H]1COC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001068948425 791485487 /nfs/dbraw/zinc/48/54/87/791485487.db2.gz SEXVSKZCKGIQFM-LBPRGKRZSA-N 1 2 332.404 0.651 20 30 ECEDLO Cc1cc(C#N)nc(N[C@@H]2C[C@@H](C)N(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC001069116468 791717522 /nfs/dbraw/zinc/71/75/22/791717522.db2.gz RIBAPHZSUWZZOJ-TZMCWYRMSA-N 1 2 325.376 0.955 20 30 ECEDLO CO[C@@H](C)C(=O)N1CC[C@H]([NH+]2CCN(c3ncccc3C#N)CC2)C1 ZINC001066697731 792014301 /nfs/dbraw/zinc/01/43/01/792014301.db2.gz BNUMNDOYWKHAIF-HOCLYGCPSA-N 1 2 343.431 0.711 20 30 ECEDLO CO[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001066699010 792019704 /nfs/dbraw/zinc/01/97/04/792019704.db2.gz QXDLFQBTBCMHJT-UKRRQHHQSA-N 1 2 344.419 0.106 20 30 ECEDLO C[C@H]1C[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001066699517 792025150 /nfs/dbraw/zinc/02/51/50/792025150.db2.gz ACPJYDQKGKDIFA-IMJJTQAJSA-N 1 2 340.431 0.727 20 30 ECEDLO C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001067703698 792157675 /nfs/dbraw/zinc/15/76/75/792157675.db2.gz AREBBCXZIXJWLM-KGLIPLIRSA-N 1 2 331.420 0.912 20 30 ECEDLO C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001067704927 792159487 /nfs/dbraw/zinc/15/94/87/792159487.db2.gz RGYNBRRRXLFUJY-UONOGXRCSA-N 1 2 331.420 0.912 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1)c1cncc(C#N)n1 ZINC001067803196 792308605 /nfs/dbraw/zinc/30/86/05/792308605.db2.gz SQUUKMLIPGIBMK-CQSZACIVSA-N 1 2 325.376 0.741 20 30 ECEDLO N#Cc1ccc(N[C@@]2(CO)CCCN(C(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001066909289 792353229 /nfs/dbraw/zinc/35/32/29/792353229.db2.gz QHAYKDRRZQEKJP-KRWDZBQOSA-N 1 2 340.387 0.615 20 30 ECEDLO CC1(C)CN(c2cncc(C#N)n2)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001068119787 792705461 /nfs/dbraw/zinc/70/54/61/792705461.db2.gz XQOCXEGXXBJRON-LBPRGKRZSA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1Nc1cnc(C#N)cn1 ZINC001067174719 792776535 /nfs/dbraw/zinc/77/65/35/792776535.db2.gz JPPHJWBCCCORGG-OCCSQVGLSA-N 1 2 325.376 0.894 20 30 ECEDLO N#Cc1cnc(N2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)[C@@H]3C2)cn1 ZINC001068207819 792829178 /nfs/dbraw/zinc/82/91/78/792829178.db2.gz YGTHQSRCGLFNJV-RYPNDVFKSA-N 1 2 349.398 0.673 20 30 ECEDLO N#Cc1cnc(N2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)[C@@H]3C2)cn1 ZINC001068207819 792829185 /nfs/dbraw/zinc/82/91/85/792829185.db2.gz YGTHQSRCGLFNJV-RYPNDVFKSA-N 1 2 349.398 0.673 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1Nc1nccnc1C#N ZINC001067218181 792833677 /nfs/dbraw/zinc/83/36/77/792833677.db2.gz RGXNKCAEODCALB-RISCZKNCSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1Nc1nccnc1C#N ZINC001067218181 792833686 /nfs/dbraw/zinc/83/36/86/792833686.db2.gz RGXNKCAEODCALB-RISCZKNCSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@@H](Nc1cncc(C#N)n1)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001068246103 792927208 /nfs/dbraw/zinc/92/72/08/792927208.db2.gz UCKNVQMFGYCASW-BXUZGUMPSA-N 1 2 341.375 0.342 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001067292860 792946358 /nfs/dbraw/zinc/94/63/58/792946358.db2.gz ZUPZFHAWYCWNJG-QGZVFWFLSA-N 1 2 336.436 0.597 20 30 ECEDLO CC1(C)CN(c2nccnc2C#N)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067327156 792995203 /nfs/dbraw/zinc/99/52/03/792995203.db2.gz POHJWXMXBOFZAT-AWEZNQCLSA-N 1 2 339.403 0.966 20 30 ECEDLO C=CCCC(=O)N1CCOC2(CN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001068346556 793094511 /nfs/dbraw/zinc/09/45/11/793094511.db2.gz UZFAYZFJIVCZPF-UHFFFAOYSA-N 1 2 346.431 0.759 20 30 ECEDLO C=CCCC(=O)N1CCOC2(CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001068347512 793095165 /nfs/dbraw/zinc/09/51/65/793095165.db2.gz DIVJVXSVYKDMNV-CQSZACIVSA-N 1 2 346.431 0.994 20 30 ECEDLO C=CCCC(=O)N1CCOC2(CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001068347512 793095173 /nfs/dbraw/zinc/09/51/73/793095173.db2.gz DIVJVXSVYKDMNV-CQSZACIVSA-N 1 2 346.431 0.994 20 30 ECEDLO C[C@@H]1CN(c2cncc(C#N)n2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067403102 793104657 /nfs/dbraw/zinc/10/46/57/793104657.db2.gz LGMMZYBQHFBQHM-TZMCWYRMSA-N 1 2 325.376 0.576 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001067431015 793148155 /nfs/dbraw/zinc/14/81/55/793148155.db2.gz LMTZVQBKGYZUNO-HNNXBMFYSA-N 1 2 334.420 0.618 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC2(C1)CN(C(=O)Cn1cc[nH+]c1)CCO2 ZINC001068409829 793252973 /nfs/dbraw/zinc/25/29/73/793252973.db2.gz WMQVDLLXNFNABB-GJZGRUSLSA-N 1 2 346.431 0.781 20 30 ECEDLO C=C(C)CCC(=O)N1CC2(C1)CN(C(=O)Cc1c[nH+]cn1C)CCO2 ZINC001068416459 793270280 /nfs/dbraw/zinc/27/02/80/793270280.db2.gz OQWZPUJVWOAFCZ-UHFFFAOYSA-N 1 2 346.431 0.759 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2ccnnc2)C1 ZINC001267481597 837536040 /nfs/dbraw/zinc/53/60/40/837536040.db2.gz JKEAETVBBFJZEH-OAHLLOKOSA-N 1 2 331.420 0.705 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccnnc2)C1 ZINC001267481597 837536045 /nfs/dbraw/zinc/53/60/45/837536045.db2.gz JKEAETVBBFJZEH-OAHLLOKOSA-N 1 2 331.420 0.705 20 30 ECEDLO CC#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)NC(=O)NC ZINC001267534763 837711328 /nfs/dbraw/zinc/71/13/28/837711328.db2.gz VEPAKCDVCUCGJR-KFWWJZLASA-N 1 2 348.447 0.699 20 30 ECEDLO CC#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)NC(=O)NC ZINC001267534763 837711333 /nfs/dbraw/zinc/71/13/33/837711333.db2.gz VEPAKCDVCUCGJR-KFWWJZLASA-N 1 2 348.447 0.699 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N(C)CC[NH+]1CCN(CCn2cccn2)CC1 ZINC001267572011 837805466 /nfs/dbraw/zinc/80/54/66/837805466.db2.gz DEJQEPRLWWECMK-GOSISDBHSA-N 1 2 349.479 0.286 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CCN(C)C(=O)Cc2ccoc2)CC1 ZINC001267572229 837807230 /nfs/dbraw/zinc/80/72/30/837807230.db2.gz HQIRTZJQIVQJGG-UHFFFAOYSA-N 1 2 348.447 0.200 20 30 ECEDLO C#CC[NH+]1CCN(CCN(C)C(=O)C[C@H]2CCOC[C@@H]2OC)CC1 ZINC001267572896 837811416 /nfs/dbraw/zinc/81/14/16/837811416.db2.gz ANLUBIAXARKHKD-SJORKVTESA-N 1 2 337.464 0.137 20 30 ECEDLO C#CCOCCC(=O)N(C)CC[NH+]1CCN(Cc2ncc(C)o2)CC1 ZINC001267572867 837811486 /nfs/dbraw/zinc/81/14/86/837811486.db2.gz ZWLDJIAAILWXHO-UHFFFAOYSA-N 1 2 348.447 0.599 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N(C)CC)C2)cn1 ZINC001266246995 835552764 /nfs/dbraw/zinc/55/27/64/835552764.db2.gz ZUXMFWDHESUXKR-INIZCTEOSA-N 1 2 328.416 0.735 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N(C)CC)C2)cn1 ZINC001266246995 835552769 /nfs/dbraw/zinc/55/27/69/835552769.db2.gz ZUXMFWDHESUXKR-INIZCTEOSA-N 1 2 328.416 0.735 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1ccc2cccnc2n1 ZINC001266277352 835602280 /nfs/dbraw/zinc/60/22/80/835602280.db2.gz XGEWOMUPJNNMQI-UHFFFAOYSA-N 1 2 325.372 0.041 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccc2cccnc2n1 ZINC001266277352 835602283 /nfs/dbraw/zinc/60/22/83/835602283.db2.gz XGEWOMUPJNNMQI-UHFFFAOYSA-N 1 2 325.372 0.041 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[NH+]1CCN(Cc2cscn2)CC1 ZINC001266283676 835615147 /nfs/dbraw/zinc/61/51/47/835615147.db2.gz SVHGSRGKCYVMID-MRXNPFEDSA-N 1 2 338.477 0.704 20 30 ECEDLO C#CCCCC(=O)NCCN1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001266283946 835615930 /nfs/dbraw/zinc/61/59/30/835615930.db2.gz ZBBLEIYGDCLRRB-OAHLLOKOSA-N 1 2 334.464 0.191 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1ncn(-c2ccccc2)n1 ZINC001266286298 835623267 /nfs/dbraw/zinc/62/32/67/835623267.db2.gz GTMLHUASTAGOPH-UHFFFAOYSA-N 1 2 342.403 0.231 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1ncn(-c2ccccc2)n1 ZINC001266286298 835623271 /nfs/dbraw/zinc/62/32/71/835623271.db2.gz GTMLHUASTAGOPH-UHFFFAOYSA-N 1 2 342.403 0.231 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCC[N@@H+](C)CC(=O)NC[C@@H]1CCCO1 ZINC001266306183 835670239 /nfs/dbraw/zinc/67/02/39/835670239.db2.gz GKUXTYSSVAXQFK-AWEZNQCLSA-N 1 2 325.453 0.932 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCC[N@H+](C)CC(=O)NC[C@@H]1CCCO1 ZINC001266306183 835670241 /nfs/dbraw/zinc/67/02/41/835670241.db2.gz GKUXTYSSVAXQFK-AWEZNQCLSA-N 1 2 325.453 0.932 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001266319243 835689029 /nfs/dbraw/zinc/68/90/29/835689029.db2.gz JIUXEFVIVQIDJZ-ZDUSSCGKSA-N 1 2 334.420 0.238 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001266319243 835689030 /nfs/dbraw/zinc/68/90/30/835689030.db2.gz JIUXEFVIVQIDJZ-ZDUSSCGKSA-N 1 2 334.420 0.238 20 30 ECEDLO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001266319918 835690042 /nfs/dbraw/zinc/69/00/42/835690042.db2.gz VQJGWJCNSXIXCN-GXTWGEPZSA-N 1 2 348.447 0.603 20 30 ECEDLO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001266319918 835690044 /nfs/dbraw/zinc/69/00/44/835690044.db2.gz VQJGWJCNSXIXCN-GXTWGEPZSA-N 1 2 348.447 0.603 20 30 ECEDLO C#CCCOc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)cc1 ZINC001266320009 835690052 /nfs/dbraw/zinc/69/00/52/835690052.db2.gz XAPIRKLTGLYOPA-ZFWWWQNUSA-N 1 2 329.400 0.767 20 30 ECEDLO C#CCCOc1ccc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)cc1 ZINC001266320009 835690053 /nfs/dbraw/zinc/69/00/53/835690053.db2.gz XAPIRKLTGLYOPA-ZFWWWQNUSA-N 1 2 329.400 0.767 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cc(C)nnc2CC)C1 ZINC001266327469 835708232 /nfs/dbraw/zinc/70/82/32/835708232.db2.gz FZIMNKXTDUCIKL-ZIAGYGMSSA-N 1 2 345.447 0.842 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cc(C)nnc2CC)C1 ZINC001266327469 835708236 /nfs/dbraw/zinc/70/82/36/835708236.db2.gz FZIMNKXTDUCIKL-ZIAGYGMSSA-N 1 2 345.447 0.842 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cc(C)nnc2CC)C1 ZINC001266327468 835708248 /nfs/dbraw/zinc/70/82/48/835708248.db2.gz FZIMNKXTDUCIKL-UONOGXRCSA-N 1 2 345.447 0.842 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cc(C)nnc2CC)C1 ZINC001266327468 835708252 /nfs/dbraw/zinc/70/82/52/835708252.db2.gz FZIMNKXTDUCIKL-UONOGXRCSA-N 1 2 345.447 0.842 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2c(F)cccc2F)C1 ZINC001266338818 835722953 /nfs/dbraw/zinc/72/29/53/835722953.db2.gz DIKGJHWXYWVUGT-LLVKDONJSA-N 1 2 336.342 0.338 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2c(F)cccc2F)C1 ZINC001266338818 835722955 /nfs/dbraw/zinc/72/29/55/835722955.db2.gz DIKGJHWXYWVUGT-LLVKDONJSA-N 1 2 336.342 0.338 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2c(F)cccc2F)C1 ZINC001266338819 835723321 /nfs/dbraw/zinc/72/33/21/835723321.db2.gz 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835926176 /nfs/dbraw/zinc/92/61/76/835926176.db2.gz OXTNNBDZLOIUFE-QWHCGFSZSA-N 1 2 332.404 0.923 20 30 ECEDLO CC(C)C#CC(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2cnccn2)C1 ZINC001266749569 836238686 /nfs/dbraw/zinc/23/86/86/836238686.db2.gz JNBXXFDZOJMYAR-OAHLLOKOSA-N 1 2 343.431 0.903 20 30 ECEDLO CC(C)C#CC(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2cnccn2)C1 ZINC001266749569 836238693 /nfs/dbraw/zinc/23/86/93/836238693.db2.gz JNBXXFDZOJMYAR-OAHLLOKOSA-N 1 2 343.431 0.903 20 30 ECEDLO CC(C)C#CC(=O)NC[C@@H]1CCC[N@H+](Cc2nnc3n2CCOC3)C1 ZINC001266749900 836238724 /nfs/dbraw/zinc/23/87/24/836238724.db2.gz OEIXZLYWMSSHJQ-HNNXBMFYSA-N 1 2 345.447 0.796 20 30 ECEDLO CC(C)C#CC(=O)NC[C@@H]1CCC[N@@H+](Cc2nnc3n2CCOC3)C1 ZINC001266749900 836238733 /nfs/dbraw/zinc/23/87/33/836238733.db2.gz OEIXZLYWMSSHJQ-HNNXBMFYSA-N 1 2 345.447 0.796 20 30 ECEDLO C=CCCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC001266836578 836360879 /nfs/dbraw/zinc/36/08/79/836360879.db2.gz BGEXEZTXEGWVHT-AWEZNQCLSA-N 1 2 336.436 0.912 20 30 ECEDLO C=CCCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC001266836578 836360888 /nfs/dbraw/zinc/36/08/88/836360888.db2.gz BGEXEZTXEGWVHT-AWEZNQCLSA-N 1 2 336.436 0.912 20 30 ECEDLO C[N@H+](CCNC(=O)C#CC1CC1)CC(=O)NCCc1cccs1 ZINC001267194558 836959468 /nfs/dbraw/zinc/95/94/68/836959468.db2.gz SNFSPWKADXLYDL-UHFFFAOYSA-N 1 2 333.457 0.868 20 30 ECEDLO C[N@@H+](CCNC(=O)C#CC1CC1)CC(=O)NCCc1cccs1 ZINC001267194558 836959477 /nfs/dbraw/zinc/95/94/77/836959477.db2.gz SNFSPWKADXLYDL-UHFFFAOYSA-N 1 2 333.457 0.868 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)Oc1ccccc1F ZINC001267198186 836965369 /nfs/dbraw/zinc/96/53/69/836965369.db2.gz HDYNZNGDDAZTAT-ZDUSSCGKSA-N 1 2 335.379 0.390 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@H](C)Oc1ccccc1F ZINC001267198186 836965380 /nfs/dbraw/zinc/96/53/80/836965380.db2.gz HDYNZNGDDAZTAT-ZDUSSCGKSA-N 1 2 335.379 0.390 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1ccc2[nH]nc(C)c2c1 ZINC001267206816 836988639 /nfs/dbraw/zinc/98/86/39/836988639.db2.gz 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837075735 /nfs/dbraw/zinc/07/57/35/837075735.db2.gz DDNVFVBZTSCBSU-UHFFFAOYSA-N 1 2 326.404 0.926 20 30 ECEDLO C#Cc1ccc(C(=O)NCC[N@H+](CC)Cc2cnnn2CC)nc1 ZINC001267255260 837075747 /nfs/dbraw/zinc/07/57/47/837075747.db2.gz DDNVFVBZTSCBSU-UHFFFAOYSA-N 1 2 326.404 0.926 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C2CC2)no1 ZINC001267279037 837126241 /nfs/dbraw/zinc/12/62/41/837126241.db2.gz VXGBRZFIYMXRKP-CYBMUJFWSA-N 1 2 330.388 0.496 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C2CC2)no1 ZINC001267279037 837126248 /nfs/dbraw/zinc/12/62/48/837126248.db2.gz VXGBRZFIYMXRKP-CYBMUJFWSA-N 1 2 330.388 0.496 20 30 ECEDLO COCC#CC[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2CCCS2(=O)=O)C1 ZINC001267298895 837160939 /nfs/dbraw/zinc/16/09/39/837160939.db2.gz SMWQPJJHLUCSSZ-GJZGRUSLSA-N 1 2 342.461 0.042 20 30 ECEDLO COCC#CC[N@H+]1CC[C@@H](CNC(=O)C[C@@H]2CCCS2(=O)=O)C1 ZINC001267298895 837160940 /nfs/dbraw/zinc/16/09/40/837160940.db2.gz SMWQPJJHLUCSSZ-GJZGRUSLSA-N 1 2 342.461 0.042 20 30 ECEDLO COCC#CC[N@@H+]1CC[C@H](CNC(=O)C[C@H]2CCCS2(=O)=O)C1 ZINC001267298896 837161211 /nfs/dbraw/zinc/16/12/11/837161211.db2.gz SMWQPJJHLUCSSZ-HUUCEWRRSA-N 1 2 342.461 0.042 20 30 ECEDLO COCC#CC[N@H+]1CC[C@H](CNC(=O)C[C@H]2CCCS2(=O)=O)C1 ZINC001267298896 837161216 /nfs/dbraw/zinc/16/12/16/837161216.db2.gz SMWQPJJHLUCSSZ-HUUCEWRRSA-N 1 2 342.461 0.042 20 30 ECEDLO Cn1[nH]c(C[NH2+][C@@H](CNC(=O)C#CC2CC2)c2ccccc2)nc1=O ZINC001267357631 837246553 /nfs/dbraw/zinc/24/65/53/837246553.db2.gz QJEIQDJDYYUMEZ-HNNXBMFYSA-N 1 2 339.399 0.469 20 30 ECEDLO C#CCNC(=O)[C@@H](C)N1CC[NH+](CCN(C)C(=O)C=C(C)C)CC1 ZINC001267604670 837937636 /nfs/dbraw/zinc/93/76/36/837937636.db2.gz AEVDHCRMNSUOBX-MRXNPFEDSA-N 1 2 334.464 0.167 20 30 ECEDLO COCC#CCN1CC[NH+](CCN(C)C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001267608982 837964548 /nfs/dbraw/zinc/96/45/48/837964548.db2.gz KMLMQTPSCUVRFJ-IEBWSBKVSA-N 1 2 333.476 0.902 20 30 ECEDLO C=C[C@H](CC)CC(=O)N(C)CCN1CC[NH+]([C@H](C)C(=O)NC)CC1 ZINC001267609305 837970109 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C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)nn2CC)C1 ZINC001267618280 838049250 /nfs/dbraw/zinc/04/92/50/838049250.db2.gz ZWUAAHIBQRKHNU-HUUCEWRRSA-N 1 2 345.447 0.544 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cc(C)nn2CC)C1 ZINC001267618280 838049264 /nfs/dbraw/zinc/04/92/64/838049264.db2.gz ZWUAAHIBQRKHNU-HUUCEWRRSA-N 1 2 345.447 0.544 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cnn(C(F)F)c2)C1 ZINC001267619313 838056241 /nfs/dbraw/zinc/05/62/41/838056241.db2.gz GXSCWVDWBMRYPR-GFCCVEGCSA-N 1 2 341.362 0.775 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cnn(C(F)F)c2)C1 ZINC001267619313 838056254 /nfs/dbraw/zinc/05/62/54/838056254.db2.gz GXSCWVDWBMRYPR-GFCCVEGCSA-N 1 2 341.362 0.775 20 30 ECEDLO CCN(C(=O)C[N@@H+]1CCC[C@H](NC(=O)CSCC#N)C1)C1CC1 ZINC001267621387 838060200 /nfs/dbraw/zinc/06/02/00/838060200.db2.gz QLFKMZKHMRDSDK-ZDUSSCGKSA-N 1 2 338.477 0.835 20 30 ECEDLO CCN(C(=O)C[N@H+]1CCC[C@H](NC(=O)CSCC#N)C1)C1CC1 ZINC001267621387 838060213 /nfs/dbraw/zinc/06/02/13/838060213.db2.gz QLFKMZKHMRDSDK-ZDUSSCGKSA-N 1 2 338.477 0.835 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2cnn(C(C)C)c2C)C1 ZINC001267633608 838097814 /nfs/dbraw/zinc/09/78/14/838097814.db2.gz GLEMOLXNYOUBMC-HNNXBMFYSA-N 1 2 345.447 0.716 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2cnn(C(C)C)c2C)C1 ZINC001267633608 838097826 /nfs/dbraw/zinc/09/78/26/838097826.db2.gz GLEMOLXNYOUBMC-HNNXBMFYSA-N 1 2 345.447 0.716 20 30 ECEDLO C#CCCCC(=O)N1CC[C@@H](C[N@@H+](C)Cc2nnc3n2CCOC3)C1 ZINC001267645587 838131203 /nfs/dbraw/zinc/13/12/03/838131203.db2.gz AWYCXZCUGHQJPY-HNNXBMFYSA-N 1 2 345.447 0.892 20 30 ECEDLO C#CCCCC(=O)N1CC[C@@H](C[N@H+](C)Cc2nnc3n2CCOC3)C1 ZINC001267645587 838131207 /nfs/dbraw/zinc/13/12/07/838131207.db2.gz AWYCXZCUGHQJPY-HNNXBMFYSA-N 1 2 345.447 0.892 20 30 ECEDLO C=CC(C)(C)CC(=O)NC1C[NH+](C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001267648260 838138594 /nfs/dbraw/zinc/13/85/94/838138594.db2.gz UFEJUJAGCHUEFL-CYBMUJFWSA-N 1 2 343.493 0.671 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC(CNC(=O)C#CC(C)C)C1 ZINC001267680732 838240078 /nfs/dbraw/zinc/24/00/78/838240078.db2.gz VGTVNEGJQJEQGH-ZDUSSCGKSA-N 1 2 334.420 0.094 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001267682913 838242610 /nfs/dbraw/zinc/24/26/10/838242610.db2.gz DVRDWOJEMKRSAH-ZDUSSCGKSA-N 1 2 333.436 0.818 20 30 ECEDLO C#Cc1cncc(C(=O)NCC2C[NH+](CC(=O)N(C)CC3CC3)C2)c1 ZINC001267692451 838267649 /nfs/dbraw/zinc/26/76/49/838267649.db2.gz GBLURQFSYWSZHH-UHFFFAOYSA-N 1 2 340.427 0.593 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN(C)S(C)(=O)=O ZINC001267711175 838326492 /nfs/dbraw/zinc/32/64/92/838326492.db2.gz NBQKUNBMLATKCW-STQMWFEESA-N 1 2 329.466 0.375 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN(C)S(C)(=O)=O ZINC001267711175 838326498 /nfs/dbraw/zinc/32/64/98/838326498.db2.gz NBQKUNBMLATKCW-STQMWFEESA-N 1 2 329.466 0.375 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2cccnc12 ZINC001267711458 838327929 /nfs/dbraw/zinc/32/79/29/838327929.db2.gz WVNKLHHHGFEZSQ-KBPBESRZSA-N 1 2 325.372 0.278 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2cccnc12 ZINC001267711458 838327934 /nfs/dbraw/zinc/32/79/34/838327934.db2.gz WVNKLHHHGFEZSQ-KBPBESRZSA-N 1 2 325.372 0.278 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N[C@H](C)CC)C2)c1 ZINC001267729043 838413653 /nfs/dbraw/zinc/41/36/53/838413653.db2.gz TUSRUIJQIGOQEL-CJNGLKHVSA-N 1 2 328.416 0.782 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CC(=O)N[C@H](C)CC)C2)c1 ZINC001267729043 838413658 /nfs/dbraw/zinc/41/36/58/838413658.db2.gz TUSRUIJQIGOQEL-CJNGLKHVSA-N 1 2 328.416 0.782 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(OCC#C)cc2)C1 ZINC001267731222 838418241 /nfs/dbraw/zinc/41/82/41/838418241.db2.gz UDXMAOLLCLEFBG-INIZCTEOSA-N 1 2 339.395 0.252 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(OCC#C)cc2)C1 ZINC001267731222 838418246 /nfs/dbraw/zinc/41/82/46/838418246.db2.gz UDXMAOLLCLEFBG-INIZCTEOSA-N 1 2 339.395 0.252 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn3ccccc23)C1 ZINC001267731406 838419198 /nfs/dbraw/zinc/41/91/98/838419198.db2.gz BHKCQBAOAWHYRM-ZDUSSCGKSA-N 1 2 327.388 0.441 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn3ccccc23)C1 ZINC001267731406 838419201 /nfs/dbraw/zinc/41/92/01/838419201.db2.gz BHKCQBAOAWHYRM-ZDUSSCGKSA-N 1 2 327.388 0.441 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2ccccc2)C1 ZINC001267734506 838427700 /nfs/dbraw/zinc/42/77/00/838427700.db2.gz LOABISGTZDTDGQ-RDJZCZTQSA-N 1 2 327.428 0.805 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2ccccc2)C1 ZINC001267734506 838427703 /nfs/dbraw/zinc/42/77/03/838427703.db2.gz LOABISGTZDTDGQ-RDJZCZTQSA-N 1 2 327.428 0.805 20 30 ECEDLO COc1cccc([C@@H](C)C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C2)c1 ZINC001267735116 838430003 /nfs/dbraw/zinc/43/00/03/838430003.db2.gz KPUOVJZNHMTOOW-HIFRSBDPSA-N 1 2 344.415 0.629 20 30 ECEDLO COc1cccc([C@@H](C)C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)c1 ZINC001267735116 838430005 /nfs/dbraw/zinc/43/00/05/838430005.db2.gz KPUOVJZNHMTOOW-HIFRSBDPSA-N 1 2 344.415 0.629 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc3c(o2)CCCC3)C1 ZINC001267743030 838443932 /nfs/dbraw/zinc/44/39/32/838443932.db2.gz IXFWXFYVGXYVEM-CQSZACIVSA-N 1 2 329.400 0.712 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc3c(o2)CCCC3)C1 ZINC001267743030 838443934 /nfs/dbraw/zinc/44/39/34/838443934.db2.gz IXFWXFYVGXYVEM-CQSZACIVSA-N 1 2 329.400 0.712 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CCCS(=O)(=O)C(C)C)C1 ZINC001267742054 838444039 /nfs/dbraw/zinc/44/40/39/838444039.db2.gz YGAPTXIWOLIGBQ-HUUCEWRRSA-N 1 2 344.477 0.429 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CC[N@H+](CCCS(=O)(=O)C(C)C)C1 ZINC001267742054 838444042 /nfs/dbraw/zinc/44/40/42/838444042.db2.gz YGAPTXIWOLIGBQ-HUUCEWRRSA-N 1 2 344.477 0.429 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N[C@@H](C)C3CC3)C2)cn1 ZINC001267751606 838472925 /nfs/dbraw/zinc/47/29/25/838472925.db2.gz GACBEPXPLZHHCH-SUMWQHHRSA-N 1 2 340.427 0.782 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N[C@@H](C)C3CC3)C2)cn1 ZINC001267751606 838472930 /nfs/dbraw/zinc/47/29/30/838472930.db2.gz GACBEPXPLZHHCH-SUMWQHHRSA-N 1 2 340.427 0.782 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)COc2ccc(F)cc2)C1 ZINC001267754180 838478741 /nfs/dbraw/zinc/47/87/41/838478741.db2.gz CGGKYGBYDVTVJV-CQSZACIVSA-N 1 2 333.363 0.144 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COc2ccc(F)cc2)C1 ZINC001267754180 838478742 /nfs/dbraw/zinc/47/87/42/838478742.db2.gz CGGKYGBYDVTVJV-CQSZACIVSA-N 1 2 333.363 0.144 20 30 ECEDLO CN(C(=O)C#CC1CC1)[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCOC2)C1 ZINC001267761084 838488696 /nfs/dbraw/zinc/48/86/96/838488696.db2.gz ARMSZDYVQKROPR-HOTGVXAUSA-N 1 2 333.432 0.085 20 30 ECEDLO CN(C(=O)C#CC1CC1)[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCOC2)C1 ZINC001267761084 838488702 /nfs/dbraw/zinc/48/87/02/838488702.db2.gz ARMSZDYVQKROPR-HOTGVXAUSA-N 1 2 333.432 0.085 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(C(C)(C)C)on2)C1 ZINC001267767781 838505645 /nfs/dbraw/zinc/50/56/45/838505645.db2.gz KYMSXEYUSJRKBG-ZDUSSCGKSA-N 1 2 346.431 0.868 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C(C)(C)C)on2)C1 ZINC001267767781 838505646 /nfs/dbraw/zinc/50/56/46/838505646.db2.gz KYMSXEYUSJRKBG-ZDUSSCGKSA-N 1 2 346.431 0.868 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](F)CC)C1 ZINC001267770283 838518364 /nfs/dbraw/zinc/51/83/64/838518364.db2.gz IKCBDGJZQBVRJZ-RYUDHWBXSA-N 1 2 328.388 0.279 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](F)CC)C1 ZINC001267770283 838518366 /nfs/dbraw/zinc/51/83/66/838518366.db2.gz IKCBDGJZQBVRJZ-RYUDHWBXSA-N 1 2 328.388 0.279 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2cncnc2CC)C1 ZINC001267777165 838543057 /nfs/dbraw/zinc/54/30/57/838543057.db2.gz JYWFQFDZWRXMIW-ZDUSSCGKSA-N 1 2 331.420 0.488 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2cncnc2CC)C1 ZINC001267777165 838543065 /nfs/dbraw/zinc/54/30/65/838543065.db2.gz JYWFQFDZWRXMIW-ZDUSSCGKSA-N 1 2 331.420 0.488 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)c2coc(CC)n2)C1 ZINC001267785981 838562177 /nfs/dbraw/zinc/56/21/77/838562177.db2.gz XZUFFSZQEBZUBQ-ZDUSSCGKSA-N 1 2 332.404 0.523 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)c2coc(CC)n2)C1 ZINC001267785981 838562180 /nfs/dbraw/zinc/56/21/80/838562180.db2.gz XZUFFSZQEBZUBQ-ZDUSSCGKSA-N 1 2 332.404 0.523 20 30 ECEDLO CCN(C(=O)C#CC1CC1)[C@@H]1CC[N@H+](CC(=O)NCCCOC)C1 ZINC001267785932 838562619 /nfs/dbraw/zinc/56/26/19/838562619.db2.gz XOWGWMIPIQLGTC-MRXNPFEDSA-N 1 2 335.448 0.475 20 30 ECEDLO CCN(C(=O)C#CC1CC1)[C@@H]1CC[N@@H+](CC(=O)NCCCOC)C1 ZINC001267785932 838562625 /nfs/dbraw/zinc/56/26/25/838562625.db2.gz XOWGWMIPIQLGTC-MRXNPFEDSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](CCCS(C)(=O)=O)C1 ZINC001267931095 838811516 /nfs/dbraw/zinc/81/15/16/838811516.db2.gz JTTGOLKZOWLQET-UONOGXRCSA-N 1 2 330.450 0.040 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](CCCS(C)(=O)=O)C1 ZINC001267931095 838811517 /nfs/dbraw/zinc/81/15/17/838811517.db2.gz JTTGOLKZOWLQET-UONOGXRCSA-N 1 2 330.450 0.040 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3cccnn32)C1 ZINC001267968893 838888607 /nfs/dbraw/zinc/88/86/07/838888607.db2.gz DTWMHRHJZWGSSE-CQSZACIVSA-N 1 2 339.399 0.278 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3cccnn32)C1 ZINC001267968893 838888619 /nfs/dbraw/zinc/88/86/19/838888619.db2.gz DTWMHRHJZWGSSE-CQSZACIVSA-N 1 2 339.399 0.278 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCc2csc(C)n2)C1 ZINC001267970919 838892862 /nfs/dbraw/zinc/89/28/62/838892862.db2.gz VCWAOPCFQUJVFJ-CQSZACIVSA-N 1 2 348.472 0.714 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCc2csc(C)n2)C1 ZINC001267970919 838892874 /nfs/dbraw/zinc/89/28/74/838892874.db2.gz VCWAOPCFQUJVFJ-CQSZACIVSA-N 1 2 348.472 0.714 20 30 ECEDLO CC(C)(C)C#CC(=O)NC[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)CCO1 ZINC001268021678 838998184 /nfs/dbraw/zinc/99/81/84/838998184.db2.gz IVXNVTKPORQELI-JKSUJKDBSA-N 1 2 348.447 0.111 20 30 ECEDLO CC(C)(C)C#CC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)Cn2cccn2)CCO1 ZINC001268021678 838998189 /nfs/dbraw/zinc/99/81/89/838998189.db2.gz IVXNVTKPORQELI-JKSUJKDBSA-N 1 2 348.447 0.111 20 30 ECEDLO C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)c2cncc(OC)n2)C1 ZINC001268024842 839016595 /nfs/dbraw/zinc/01/65/95/839016595.db2.gz DDPXNLHZAJYBKZ-ZDUSSCGKSA-N 1 2 336.392 0.118 20 30 ECEDLO C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)c2cncc(OC)n2)C1 ZINC001268024842 839016599 /nfs/dbraw/zinc/01/65/99/839016599.db2.gz DDPXNLHZAJYBKZ-ZDUSSCGKSA-N 1 2 336.392 0.118 20 30 ECEDLO C=CCC[C@H](C)[N@H+]1CCO[C@H](CNC(=O)CS(=O)(=O)C(C)C)C1 ZINC001268028848 839044144 /nfs/dbraw/zinc/04/41/44/839044144.db2.gz OQJWJMBGECYVPR-LSDHHAIUSA-N 1 2 346.493 0.981 20 30 ECEDLO C=CCC[C@H](C)[N@@H+]1CCO[C@H](CNC(=O)CS(=O)(=O)C(C)C)C1 ZINC001268028848 839044151 /nfs/dbraw/zinc/04/41/51/839044151.db2.gz OQJWJMBGECYVPR-LSDHHAIUSA-N 1 2 346.493 0.981 20 30 ECEDLO CC(C)C#CC(=O)N[C@]12CCC[C@H]1[N@H+](CCS(C)(=O)=O)CC2 ZINC001284051361 839073279 /nfs/dbraw/zinc/07/32/79/839073279.db2.gz NTBWTODVUIXVJH-ZBFHGGJFSA-N 1 2 326.462 0.804 20 30 ECEDLO CC(C)C#CC(=O)N[C@]12CCC[C@H]1[N@@H+](CCS(C)(=O)=O)CC2 ZINC001284051361 839073285 /nfs/dbraw/zinc/07/32/85/839073285.db2.gz NTBWTODVUIXVJH-ZBFHGGJFSA-N 1 2 326.462 0.804 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCC2(C[NH+](Cc3cnnn3CC)C2)CC1 ZINC001268044032 839200070 /nfs/dbraw/zinc/20/00/70/839200070.db2.gz VCQJVBRSWNYDQU-OAHLLOKOSA-N 1 2 345.447 0.761 20 30 ECEDLO CN1C(=O)NCC12CC[NH+]([C@H](C(N)=O)c1ccc(C#N)cc1)CC2 ZINC000425549638 210071868 /nfs/dbraw/zinc/07/18/68/210071868.db2.gz YFZLLUSLTVMLMJ-AWEZNQCLSA-N 1 2 327.388 0.574 20 30 ECEDLO COCCNC(=O)C[NH+]1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000103139237 219260835 /nfs/dbraw/zinc/26/08/35/219260835.db2.gz GHVRVVMOMDYTNP-UHFFFAOYSA-N 1 2 334.395 0.578 20 30 ECEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)C1 ZINC000329130530 283022353 /nfs/dbraw/zinc/02/23/53/283022353.db2.gz OLGGOPVETCAUOF-JYYAWHABSA-N 1 2 341.452 0.483 20 30 ECEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)C1 ZINC000329130530 283022356 /nfs/dbraw/zinc/02/23/56/283022356.db2.gz OLGGOPVETCAUOF-JYYAWHABSA-N 1 2 341.452 0.483 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000264187315 201210013 /nfs/dbraw/zinc/21/00/13/201210013.db2.gz PLAWOXFMIQPWFY-UHFFFAOYSA-N 1 2 329.400 0.593 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000264187315 201210014 /nfs/dbraw/zinc/21/00/14/201210014.db2.gz PLAWOXFMIQPWFY-UHFFFAOYSA-N 1 2 329.400 0.593 20 30 ECEDLO C=CCOCCCC(=O)N(CC[NH+]1CCOCC1)CC(=O)OC ZINC000266379876 201219238 /nfs/dbraw/zinc/21/92/38/201219238.db2.gz TZLHAXGJJUBQEM-UHFFFAOYSA-N 1 2 328.409 0.303 20 30 ECEDLO C#CCOc1ccccc1NC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000275827538 201287981 /nfs/dbraw/zinc/28/79/81/201287981.db2.gz RJXGLZUZHNSZJP-UHFFFAOYSA-N 1 2 345.399 0.428 20 30 ECEDLO C[C@H](C(=O)N1CCOCC1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023258362 212364546 /nfs/dbraw/zinc/36/45/46/212364546.db2.gz JCMVMMURCBMJOP-MRXNPFEDSA-N 1 2 342.443 0.923 20 30 ECEDLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000023258362 212364548 /nfs/dbraw/zinc/36/45/48/212364548.db2.gz JCMVMMURCBMJOP-MRXNPFEDSA-N 1 2 342.443 0.923 20 30 ECEDLO C#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000155795886 205030423 /nfs/dbraw/zinc/03/04/23/205030423.db2.gz PNKRJOOTMZGTSM-QGZVFWFLSA-N 1 2 341.411 0.930 20 30 ECEDLO CN1C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1=O ZINC000267498156 251110143 /nfs/dbraw/zinc/11/01/43/251110143.db2.gz LZJCCLQSNRSFBT-INIZCTEOSA-N 1 2 341.415 0.616 20 30 ECEDLO C=CCn1c(S[C@H](C)C(=O)N2CC[NH+](CC)CC2)n[nH]c1=O ZINC000163370278 254503512 /nfs/dbraw/zinc/50/35/12/254503512.db2.gz YPTWZCBJDHOIFC-LLVKDONJSA-N 1 2 325.438 0.402 20 30 ECEDLO Cc1cnn(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000329723679 254616190 /nfs/dbraw/zinc/61/61/90/254616190.db2.gz CXAWPYVBFHMSAZ-CQSZACIVSA-N 1 2 335.408 0.081 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2csc(C(=O)OC)c2)CC1 ZINC000491667932 254926636 /nfs/dbraw/zinc/92/66/36/254926636.db2.gz LTXBVKLUUUADEE-UHFFFAOYSA-N 1 2 335.429 0.402 20 30 ECEDLO C[C@@H](C#N)CNC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496140596 255074507 /nfs/dbraw/zinc/07/45/07/255074507.db2.gz LMXRRILYTGVSOD-QWHCGFSZSA-N 1 2 339.440 0.996 20 30 ECEDLO C[C@@H](C#N)CNC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496140596 255074508 /nfs/dbraw/zinc/07/45/08/255074508.db2.gz LMXRRILYTGVSOD-QWHCGFSZSA-N 1 2 339.440 0.996 20 30 ECEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000543758052 420651695 /nfs/dbraw/zinc/65/16/95/420651695.db2.gz KXSSIDNJTBZGPH-GFCCVEGCSA-N 1 2 349.439 0.158 20 30 ECEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000543758052 420651699 /nfs/dbraw/zinc/65/16/99/420651699.db2.gz KXSSIDNJTBZGPH-GFCCVEGCSA-N 1 2 349.439 0.158 20 30 ECEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000286050576 264364919 /nfs/dbraw/zinc/36/49/19/264364919.db2.gz SJJZNVLYNRLDAJ-GLQYFDAESA-N 1 2 327.388 0.983 20 30 ECEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000286050576 264364921 /nfs/dbraw/zinc/36/49/21/264364921.db2.gz SJJZNVLYNRLDAJ-GLQYFDAESA-N 1 2 327.388 0.983 20 30 ECEDLO N#Cc1ccnc(Nc2ccc(N3CCNC(=O)C3)[nH+]c2)c1[N+](=O)[O-] ZINC000301625020 270005818 /nfs/dbraw/zinc/00/58/18/270005818.db2.gz GURQFHGCWPTPOP-UHFFFAOYSA-N 1 2 339.315 0.936 20 30 ECEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+]([C@H]2COC[C@@H]2O)CC1 ZINC000340290438 270006094 /nfs/dbraw/zinc/00/60/94/270006094.db2.gz TUMKOZMGLMSKKT-STQMWFEESA-N 1 2 330.344 0.688 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)o1 ZINC000374807319 270007761 /nfs/dbraw/zinc/00/77/61/270007761.db2.gz PCRTXDGWSKPJSW-HNNXBMFYSA-N 1 2 339.417 0.778 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)o1 ZINC000374807319 270007762 /nfs/dbraw/zinc/00/77/62/270007762.db2.gz PCRTXDGWSKPJSW-HNNXBMFYSA-N 1 2 339.417 0.778 20 30 ECEDLO CCN(CC)C(=O)C[NH+]1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1 ZINC000296561486 266111465 /nfs/dbraw/zinc/11/14/65/266111465.db2.gz PPYDCVPXWCDFMN-UHFFFAOYSA-N 1 2 346.391 0.852 20 30 ECEDLO CCN(CC)c1ccc(CNC(=O)NCCn2cnc(C#N)n2)c[nH+]1 ZINC000286585434 266121379 /nfs/dbraw/zinc/12/13/79/266121379.db2.gz KDOKUWSHEACITE-UHFFFAOYSA-N 1 2 342.407 0.890 20 30 ECEDLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)Nc3ccc(C#N)cc3)CCN2C1=O ZINC000378017540 266142977 /nfs/dbraw/zinc/14/29/77/266142977.db2.gz ILTAJZNWCFVIDI-CQSZACIVSA-N 1 2 341.371 0.465 20 30 ECEDLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)Nc3ccc(C#N)cc3)CCN2C1=O ZINC000378017540 266142981 /nfs/dbraw/zinc/14/29/81/266142981.db2.gz ILTAJZNWCFVIDI-CQSZACIVSA-N 1 2 341.371 0.465 20 30 ECEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000367729944 266152588 /nfs/dbraw/zinc/15/25/88/266152588.db2.gz QVNNMJUHDWZALZ-KRWDZBQOSA-N 1 2 328.416 0.928 20 30 ECEDLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000367729944 266152590 /nfs/dbraw/zinc/15/25/90/266152590.db2.gz QVNNMJUHDWZALZ-KRWDZBQOSA-N 1 2 328.416 0.928 20 30 ECEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000362238957 266152929 /nfs/dbraw/zinc/15/29/29/266152929.db2.gz OWHPTWDEFMOTLJ-HNNXBMFYSA-N 1 2 329.404 0.323 20 30 ECEDLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000362238957 266152932 /nfs/dbraw/zinc/15/29/32/266152932.db2.gz OWHPTWDEFMOTLJ-HNNXBMFYSA-N 1 2 329.404 0.323 20 30 ECEDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@@H+]1CCOC ZINC000286761915 266382511 /nfs/dbraw/zinc/38/25/11/266382511.db2.gz DWYRYQSQGXPSOO-GFCCVEGCSA-N 1 2 327.406 0.883 20 30 ECEDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@H+]1CCOC ZINC000286761915 266382514 /nfs/dbraw/zinc/38/25/14/266382514.db2.gz DWYRYQSQGXPSOO-GFCCVEGCSA-N 1 2 327.406 0.883 20 30 ECEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000355695170 267068102 /nfs/dbraw/zinc/06/81/02/267068102.db2.gz HGBMNMLRRBPVBI-CYBMUJFWSA-N 1 2 330.388 0.125 20 30 ECEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000355695170 267068107 /nfs/dbraw/zinc/06/81/07/267068107.db2.gz HGBMNMLRRBPVBI-CYBMUJFWSA-N 1 2 330.388 0.125 20 30 ECEDLO C[C@H]1OCC[C@H]1[N@H+](CCO)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343759942 267246320 /nfs/dbraw/zinc/24/63/20/267246320.db2.gz PQOIROQRPUUYQD-TZMCWYRMSA-N 1 2 339.417 0.199 20 30 ECEDLO C[C@H]1OCC[C@H]1[N@@H+](CCO)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343759942 267246325 /nfs/dbraw/zinc/24/63/25/267246325.db2.gz PQOIROQRPUUYQD-TZMCWYRMSA-N 1 2 339.417 0.199 20 30 ECEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000285133660 267380370 /nfs/dbraw/zinc/38/03/70/267380370.db2.gz IRZPANPQFAFUBT-CVEARBPZSA-N 1 2 342.399 0.737 20 30 ECEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000285133660 267380375 /nfs/dbraw/zinc/38/03/75/267380375.db2.gz IRZPANPQFAFUBT-CVEARBPZSA-N 1 2 342.399 0.737 20 30 ECEDLO Cn1cc(N2CC[NH+](CC(=O)NCc3cccc(C#N)c3)CC2)cn1 ZINC000369995700 267805374 /nfs/dbraw/zinc/80/53/74/267805374.db2.gz AXXSSUSAZCVBBJ-UHFFFAOYSA-N 1 2 338.415 0.730 20 30 ECEDLO N#Cc1ccc(CS(=O)(=O)NC[C@@H]2C[NH+]3CCN2CC3)c(F)c1 ZINC000360026125 268080823 /nfs/dbraw/zinc/08/08/23/268080823.db2.gz XKXFUXZPPSPZNZ-CQSZACIVSA-N 1 2 338.408 0.117 20 30 ECEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@@H](S(N)(=O)=O)C3)C2=O)cc1 ZINC000331696871 268126555 /nfs/dbraw/zinc/12/65/55/268126555.db2.gz UYMIFUIAMQTHEZ-CABCVRRESA-N 1 2 348.428 0.416 20 30 ECEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@@H](S(N)(=O)=O)C3)C2=O)cc1 ZINC000331696871 268126558 /nfs/dbraw/zinc/12/65/58/268126558.db2.gz UYMIFUIAMQTHEZ-CABCVRRESA-N 1 2 348.428 0.416 20 30 ECEDLO N#Cc1ccc(OCC(=O)N(CCO)CC[NH+]2CCOCC2)cc1 ZINC000339800116 268168428 /nfs/dbraw/zinc/16/84/28/268168428.db2.gz NXXMCHLESCTUKY-UHFFFAOYSA-N 1 2 333.388 0.090 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)s1 ZINC000332085677 268193477 /nfs/dbraw/zinc/19/34/77/268193477.db2.gz FXCZJCOONJDJDA-UHFFFAOYSA-N 1 2 337.430 0.849 20 30 ECEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c1 ZINC000364801230 268250094 /nfs/dbraw/zinc/25/00/94/268250094.db2.gz YEWYVQSUAVXCIU-KRWDZBQOSA-N 1 2 328.372 0.749 20 30 ECEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)c1 ZINC000364801230 268250095 /nfs/dbraw/zinc/25/00/95/268250095.db2.gz YEWYVQSUAVXCIU-KRWDZBQOSA-N 1 2 328.372 0.749 20 30 ECEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000363248894 268285219 /nfs/dbraw/zinc/28/52/19/268285219.db2.gz ORDWQFDOGWGUSN-CABCVRRESA-N 1 2 335.429 0.778 20 30 ECEDLO C=CC1CC[NH+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000330732315 437601771 /nfs/dbraw/zinc/60/17/71/437601771.db2.gz LBPHPKJDANNQAG-GFCCVEGCSA-N 1 2 329.422 0.102 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCO[C@]4(CCSC4)C3)C[C@@H]21 ZINC000329625191 290088354 /nfs/dbraw/zinc/08/83/54/290088354.db2.gz SQVZFWAHJJXYBK-HLPPOEQASA-N 1 2 341.477 0.970 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCO[C@]4(CCSC4)C3)C[C@@H]21 ZINC000329625191 290088356 /nfs/dbraw/zinc/08/83/56/290088356.db2.gz SQVZFWAHJJXYBK-HLPPOEQASA-N 1 2 341.477 0.970 20 30 ECEDLO N#Cc1cccc(N2CC[NH+](CC(=O)NC3CC3)CC2)c1[N+](=O)[O-] ZINC000450227525 294964325 /nfs/dbraw/zinc/96/43/25/294964325.db2.gz QNAKNCKZUGTWCR-UHFFFAOYSA-N 1 2 329.360 0.867 20 30 ECEDLO [O-]C(=[NH+][C@@H]1CCc2c[nH]nc2C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000329867957 295383818 /nfs/dbraw/zinc/38/38/18/295383818.db2.gz WUPWKRYNIGNMKF-HUUCEWRRSA-N 1 2 333.436 0.978 20 30 ECEDLO O=C(N[C@@H]1CCc2c[nH]nc2C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000329867957 295383820 /nfs/dbraw/zinc/38/38/20/295383820.db2.gz WUPWKRYNIGNMKF-HUUCEWRRSA-N 1 2 333.436 0.978 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000408005842 298136319 /nfs/dbraw/zinc/13/63/19/298136319.db2.gz SUQOVAUFKLAVFC-NEPJUHHUSA-N 1 2 328.438 0.080 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000408005842 298136321 /nfs/dbraw/zinc/13/63/21/298136321.db2.gz SUQOVAUFKLAVFC-NEPJUHHUSA-N 1 2 328.438 0.080 20 30 ECEDLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108312 436070098 /nfs/dbraw/zinc/07/00/98/436070098.db2.gz AKFFJCCWTMTJNF-CQSZACIVSA-N 1 2 329.404 0.323 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2cc(C(=O)OC)c(C)o2)CC1 ZINC000024242437 436132732 /nfs/dbraw/zinc/13/27/32/436132732.db2.gz QGCQVFDCUUPLGG-UHFFFAOYSA-N 1 2 335.404 0.794 20 30 ECEDLO CN(CCC#N)S(=O)(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000028084301 436187346 /nfs/dbraw/zinc/18/73/46/436187346.db2.gz SUWPOPGSCIAUFV-UHFFFAOYSA-N 1 2 339.421 0.098 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000032489623 436239095 /nfs/dbraw/zinc/23/90/95/436239095.db2.gz BEWGUEJOEWGVAP-UHFFFAOYSA-N 1 2 329.400 0.325 20 30 ECEDLO C#CC[NH+]1CCN(CN2C(=O)NC3(C2=O)[C@@H](C)CCC[C@@H]3C)CC1 ZINC000029891293 436212527 /nfs/dbraw/zinc/21/25/27/436212527.db2.gz GSTGTXUQYYIALG-GJZGRUSLSA-N 1 2 332.448 0.941 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CC(=O)N(CC(C)C)C2CC2)CC1 ZINC000076800347 436215103 /nfs/dbraw/zinc/21/51/03/436215103.db2.gz ZNHQDIVVZWFGTO-UHFFFAOYSA-N 1 2 336.480 0.553 20 30 ECEDLO COCCCNC(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000030967958 436222949 /nfs/dbraw/zinc/22/29/49/436222949.db2.gz RPXJHDBJMDZFJH-UHFFFAOYSA-N 1 2 334.395 0.972 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(c2c(C#N)nnc3ccccc32)CC1 ZINC000077217194 436228735 /nfs/dbraw/zinc/22/87/35/436228735.db2.gz GKHPNFXRPLVZDK-UHFFFAOYSA-N 1 2 334.383 0.373 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000078681753 436275617 /nfs/dbraw/zinc/27/56/17/436275617.db2.gz CMXLPZQDEFNBBT-UHFFFAOYSA-N 1 2 341.415 0.971 20 30 ECEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(CC(=O)N[C@H](C)CC)CC1 ZINC000044742077 436347789 /nfs/dbraw/zinc/34/77/89/436347789.db2.gz COMXXTHKIQUDDJ-MRXNPFEDSA-N 1 2 336.480 0.719 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@@H](O)COc1ccccc1 ZINC000081515404 436348339 /nfs/dbraw/zinc/34/83/39/436348339.db2.gz VRFDSAVKPBVRJI-QGZVFWFLSA-N 1 2 333.432 0.974 20 30 ECEDLO C#CCNC(=O)[C@@H](C)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000042510435 436306724 /nfs/dbraw/zinc/30/67/24/436306724.db2.gz RKRMCJQBWNLAPK-OAHLLOKOSA-N 1 2 343.427 0.713 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000042510435 436306726 /nfs/dbraw/zinc/30/67/26/436306726.db2.gz RKRMCJQBWNLAPK-OAHLLOKOSA-N 1 2 343.427 0.713 20 30 ECEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)C[C@H](O)CN1CCOCC1 ZINC000083245028 436370472 /nfs/dbraw/zinc/37/04/72/436370472.db2.gz BGKVYSCUEHCNGU-INIZCTEOSA-N 1 2 332.404 0.122 20 30 ECEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)C[C@H](O)CN1CCOCC1 ZINC000083245028 436370475 /nfs/dbraw/zinc/37/04/75/436370475.db2.gz BGKVYSCUEHCNGU-INIZCTEOSA-N 1 2 332.404 0.122 20 30 ECEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cc(C#N)cn2C)CC1 ZINC000081730340 436354556 /nfs/dbraw/zinc/35/45/56/436354556.db2.gz CNDAHNYRJAXIEV-UHFFFAOYSA-N 1 2 345.447 0.913 20 30 ECEDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cc(C#N)cn2C)CC1 ZINC000081730340 436354559 /nfs/dbraw/zinc/35/45/59/436354559.db2.gz CNDAHNYRJAXIEV-UHFFFAOYSA-N 1 2 345.447 0.913 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2C(N)=O)CC1 ZINC000091537110 436452095 /nfs/dbraw/zinc/45/20/95/436452095.db2.gz FJNCHJVMSMBKDB-HUUCEWRRSA-N 1 2 335.452 0.019 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCCC[C@@H]2C(N)=O)CC1 ZINC000091537110 436452096 /nfs/dbraw/zinc/45/20/96/436452096.db2.gz FJNCHJVMSMBKDB-HUUCEWRRSA-N 1 2 335.452 0.019 20 30 ECEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC000049983265 436472785 /nfs/dbraw/zinc/47/27/85/436472785.db2.gz GSPFDTCVISOWIN-UHFFFAOYSA-N 1 2 345.428 0.761 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000105797336 436577627 /nfs/dbraw/zinc/57/76/27/436577627.db2.gz AXTNPFIYFFYKRS-ZDUSSCGKSA-N 1 2 349.435 0.809 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000053423462 436532281 /nfs/dbraw/zinc/53/22/81/436532281.db2.gz KQNOJZJOBYCNSM-IYBDPMFKSA-N 1 2 336.480 0.696 20 30 ECEDLO C#CC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000104092908 436556974 /nfs/dbraw/zinc/55/69/74/436556974.db2.gz IMMVYFWKBIDHTC-HZPDHXFCSA-N 1 2 348.424 0.420 20 30 ECEDLO C#CC[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000104092908 436556977 /nfs/dbraw/zinc/55/69/77/436556977.db2.gz IMMVYFWKBIDHTC-HZPDHXFCSA-N 1 2 348.424 0.420 20 30 ECEDLO N#Cc1ccc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)nc1 ZINC000107560608 436613782 /nfs/dbraw/zinc/61/37/82/436613782.db2.gz CFJWTNUKECMQMC-UHFFFAOYSA-N 1 2 337.387 0.295 20 30 ECEDLO C=CCNC(=O)NC(=O)CN(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000057844694 436616805 /nfs/dbraw/zinc/61/68/05/436616805.db2.gz XXVMUNZSPLJHAK-UHFFFAOYSA-N 1 2 333.314 0.889 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(C(=O)NCC=C)cn2)CC1 ZINC000112513462 436633278 /nfs/dbraw/zinc/63/32/78/436633278.db2.gz LCSGOPMDUPHQJM-UHFFFAOYSA-N 1 2 343.431 0.422 20 30 ECEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060480390 436633927 /nfs/dbraw/zinc/63/39/27/436633927.db2.gz BYEPLOUPPALPKG-UHFFFAOYSA-N 1 2 326.404 0.837 20 30 ECEDLO C=CC[N@H+](CC(=O)N1CCNC(=O)C1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297573 436643537 /nfs/dbraw/zinc/64/35/37/436643537.db2.gz UUMDJZJPTHLNFG-UHFFFAOYSA-N 1 2 332.360 0.541 20 30 ECEDLO C=CC[N@@H+](CC(=O)N1CCNC(=O)C1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297573 436643539 /nfs/dbraw/zinc/64/35/39/436643539.db2.gz UUMDJZJPTHLNFG-UHFFFAOYSA-N 1 2 332.360 0.541 20 30 ECEDLO COCCCNC(=O)C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000198743439 436695208 /nfs/dbraw/zinc/69/52/08/436695208.db2.gz RHRYFBGPZOSCRJ-AWEZNQCLSA-N 1 2 338.452 0.802 20 30 ECEDLO COCCCNC(=O)C[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000198743439 436695211 /nfs/dbraw/zinc/69/52/11/436695211.db2.gz RHRYFBGPZOSCRJ-AWEZNQCLSA-N 1 2 338.452 0.802 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)c2scnc2C)CC1 ZINC000141903174 436671814 /nfs/dbraw/zinc/67/18/14/436671814.db2.gz GZPBEYALTNFABX-CYBMUJFWSA-N 1 2 334.445 0.737 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)c2scnc2C)CC1 ZINC000141903174 436671817 /nfs/dbraw/zinc/67/18/17/436671817.db2.gz GZPBEYALTNFABX-CYBMUJFWSA-N 1 2 334.445 0.737 20 30 ECEDLO N#CCCCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000273135636 436733887 /nfs/dbraw/zinc/73/38/87/436733887.db2.gz RTXWXJDYAFSUPD-UHFFFAOYSA-N 1 2 330.388 0.877 20 30 ECEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CNc2cccc(C#N)c2)CC1 ZINC000152590604 436735800 /nfs/dbraw/zinc/73/58/00/436735800.db2.gz YSFIQSPVWQVFAB-UHFFFAOYSA-N 1 2 343.431 0.641 20 30 ECEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)CNc2cccc(C#N)c2)CC1 ZINC000152590604 436735804 /nfs/dbraw/zinc/73/58/04/436735804.db2.gz YSFIQSPVWQVFAB-UHFFFAOYSA-N 1 2 343.431 0.641 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(C(=O)NC)cc2)CC1 ZINC000068345803 436742345 /nfs/dbraw/zinc/74/23/45/436742345.db2.gz LVDAKDIVAIXIMG-UHFFFAOYSA-N 1 2 335.429 0.376 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000153171986 436751063 /nfs/dbraw/zinc/75/10/63/436751063.db2.gz TXMKBEPCSKKLAQ-CQSZACIVSA-N 1 2 331.420 0.600 20 30 ECEDLO COc1cc(CO[NH+]=C(N)CN2CCOCC2)c([N+](=O)[O-])cc1F ZINC000274258197 436811476 /nfs/dbraw/zinc/81/14/76/436811476.db2.gz ZNHAOGGCBNFXKC-UHFFFAOYSA-N 1 2 342.327 0.864 20 30 ECEDLO CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000154079500 436771097 /nfs/dbraw/zinc/77/10/97/436771097.db2.gz XTOOZESQFNQIBA-CYBMUJFWSA-N 1 2 333.417 0.720 20 30 ECEDLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000154079500 436771102 /nfs/dbraw/zinc/77/11/02/436771102.db2.gz XTOOZESQFNQIBA-CYBMUJFWSA-N 1 2 333.417 0.720 20 30 ECEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2ccc(C#N)nc2)CC1 ZINC000154713899 436784270 /nfs/dbraw/zinc/78/42/70/436784270.db2.gz BNODUHLZWCYGHC-CQSZACIVSA-N 1 2 341.415 0.722 20 30 ECEDLO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)[NH+]1CCOCC1 ZINC000293194635 436855286 /nfs/dbraw/zinc/85/52/86/436855286.db2.gz YUWCJDOLHZDVHV-AWEZNQCLSA-N 1 2 345.403 0.365 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135757149 436923520 /nfs/dbraw/zinc/92/35/20/436923520.db2.gz IYQSKRLKKXDYKE-OAHLLOKOSA-N 1 2 343.493 0.911 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135757149 436923525 /nfs/dbraw/zinc/92/35/25/436923525.db2.gz IYQSKRLKKXDYKE-OAHLLOKOSA-N 1 2 343.493 0.911 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)cnc1C(F)(F)F ZINC000293514887 436884141 /nfs/dbraw/zinc/88/41/41/436884141.db2.gz YLHJUHSVHUISKQ-LBPRGKRZSA-N 1 2 339.321 0.702 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000134340316 436896027 /nfs/dbraw/zinc/89/60/27/436896027.db2.gz ZAQHCCJLPLFMSR-ZDUSSCGKSA-N 1 2 330.454 0.151 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000134340316 436896032 /nfs/dbraw/zinc/89/60/32/436896032.db2.gz ZAQHCCJLPLFMSR-ZDUSSCGKSA-N 1 2 330.454 0.151 20 30 ECEDLO N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161899049 436897980 /nfs/dbraw/zinc/89/79/80/436897980.db2.gz JDEUOWURWPLDRN-OAHLLOKOSA-N 1 2 331.420 0.520 20 30 ECEDLO C=C(C)COCCNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000135000936 436907635 /nfs/dbraw/zinc/90/76/35/436907635.db2.gz DXDQVLNZXVFVNY-CQSZACIVSA-N 1 2 338.452 0.573 20 30 ECEDLO C=C(C)COCCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000134999815 436908786 /nfs/dbraw/zinc/90/87/86/436908786.db2.gz DWSIWJSMTRJUSG-UHFFFAOYSA-N 1 2 348.451 0.491 20 30 ECEDLO COc1ccc(CCNC(=O)[C@H](C)O[NH+]=C(N)CCO)cc1OC ZINC000275445288 436968485 /nfs/dbraw/zinc/96/84/85/436968485.db2.gz HYYOWUADSICEMY-NSHDSACASA-N 1 2 339.392 0.422 20 30 ECEDLO NC(COc1cc(F)cc(F)c1)=[NH+]OCCCN1C(=O)CNC1=O ZINC000275438381 436968907 /nfs/dbraw/zinc/96/89/07/436968907.db2.gz HANJGJKQVSUZON-UHFFFAOYSA-N 1 2 342.302 0.574 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000171394410 436978312 /nfs/dbraw/zinc/97/83/12/436978312.db2.gz CXYNLVLBOCIFPD-OAHLLOKOSA-N 1 2 336.480 0.744 20 30 ECEDLO Cn1ncc2c1C[C@@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)CC2 ZINC000281538123 436979101 /nfs/dbraw/zinc/97/91/01/436979101.db2.gz ILTMIHDMQPOPHB-HNNXBMFYSA-N 1 2 345.447 0.599 20 30 ECEDLO C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)[C@@H](C)[NH+]1CCOCC1 ZINC000136198410 436929265 /nfs/dbraw/zinc/92/92/65/436929265.db2.gz DNDHDSVZCBVXPU-VXGBXAGGSA-N 1 2 348.378 0.861 20 30 ECEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000281007151 436939434 /nfs/dbraw/zinc/93/94/34/436939434.db2.gz NGNBOOSKYVZGQZ-UHFFFAOYSA-N 1 2 332.389 0.849 20 30 ECEDLO C[C@H]1c2cccn2CCN1C(=O)C(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000297778751 437018304 /nfs/dbraw/zinc/01/83/04/437018304.db2.gz HRCSASPXELHEHI-AWEZNQCLSA-N 1 2 343.431 0.838 20 30 ECEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000172238541 437004604 /nfs/dbraw/zinc/00/46/04/437004604.db2.gz SBDXCEQLNVMJTE-ZWKOTPCHSA-N 1 2 348.443 0.992 20 30 ECEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000172238541 437004609 /nfs/dbraw/zinc/00/46/09/437004609.db2.gz SBDXCEQLNVMJTE-ZWKOTPCHSA-N 1 2 348.443 0.992 20 30 ECEDLO C=CCn1c(C2CC2)nnc1N1CC[NH+](CC(=O)NCCOC)CC1 ZINC000282475814 437013559 /nfs/dbraw/zinc/01/35/59/437013559.db2.gz BXOYXCYFHUDJQS-UHFFFAOYSA-N 1 2 348.451 0.226 20 30 ECEDLO COC(=O)c1cc(F)ccc1CO[NH+]=C(N)CN1CCOCC1 ZINC000264692525 437065683 /nfs/dbraw/zinc/06/56/83/437065683.db2.gz HRRDDONCISXAOM-UHFFFAOYSA-N 1 2 325.340 0.733 20 30 ECEDLO N#C[C@H]1COCCN1S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000353779959 303170596 /nfs/dbraw/zinc/17/05/96/303170596.db2.gz RSTHPZMIUONTLI-AWEZNQCLSA-N 1 2 332.385 0.844 20 30 ECEDLO COc1ccc(-c2noc(CO[NH+]=C(N)CN3CCOCC3)n2)cc1 ZINC000264943428 437101457 /nfs/dbraw/zinc/10/14/57/437101457.db2.gz UOAWDPXRPRAMQG-UHFFFAOYSA-N 1 2 347.375 0.866 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2csc(S(N)(=O)=O)c2)CC1 ZINC000299671446 437101739 /nfs/dbraw/zinc/10/17/39/437101739.db2.gz NQNXKDMWHXDTPZ-UHFFFAOYSA-N 1 2 327.431 0.177 20 30 ECEDLO C#CCNc1nc(N(C)[C@@H]2CCOC2)nc(N(C)[C@H]2CCOC2)[nH+]1 ZINC000286651393 437113134 /nfs/dbraw/zinc/11/31/34/437113134.db2.gz DRVXAYQSKHGXHI-BETUJISGSA-N 1 2 332.408 0.367 20 30 ECEDLO C#CCNc1nc(N(C)[C@H]2CCOC2)nc(N(C)[C@@H]2CCOC2)[nH+]1 ZINC000286651393 437113138 /nfs/dbraw/zinc/11/31/38/437113138.db2.gz DRVXAYQSKHGXHI-BETUJISGSA-N 1 2 332.408 0.367 20 30 ECEDLO C[C@]([NH2+]CC(=O)NCC#N)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177376426 437181164 /nfs/dbraw/zinc/18/11/64/437181164.db2.gz IPIOZTJKCPKENT-CYBMUJFWSA-N 1 2 328.294 0.635 20 30 ECEDLO N#Cc1ncccc1S(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000277014853 437185462 /nfs/dbraw/zinc/18/54/62/437185462.db2.gz MCINZFYBQAHUHK-UHFFFAOYSA-N 1 2 329.385 0.859 20 30 ECEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC000332302097 437212011 /nfs/dbraw/zinc/21/20/11/437212011.db2.gz QCUPUPDQPZLQHQ-QGZVFWFLSA-N 1 2 348.472 0.904 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179511665 437266156 /nfs/dbraw/zinc/26/61/56/437266156.db2.gz HCCQYAZNPNBPDW-GFCCVEGCSA-N 1 2 332.408 0.873 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179511665 437266160 /nfs/dbraw/zinc/26/61/60/437266160.db2.gz HCCQYAZNPNBPDW-GFCCVEGCSA-N 1 2 332.408 0.873 20 30 ECEDLO CN(C)C(=O)c1ccnc(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000329067357 437311807 /nfs/dbraw/zinc/31/18/07/437311807.db2.gz WXZBTDYQJDEIOV-STQMWFEESA-N 1 2 333.392 0.344 20 30 ECEDLO CN(C)C(=O)c1ccnc(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000329067357 437311811 /nfs/dbraw/zinc/31/18/11/437311811.db2.gz WXZBTDYQJDEIOV-STQMWFEESA-N 1 2 333.392 0.344 20 30 ECEDLO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000336930702 437313422 /nfs/dbraw/zinc/31/34/22/437313422.db2.gz BDXZUIQTRGSQIJ-LBPRGKRZSA-N 1 2 327.410 0.098 20 30 ECEDLO CN(C)c1ccc(CNC(=O)N2CCOC[C@@H]2c2ncnn2C)c[nH+]1 ZINC000328895972 437280326 /nfs/dbraw/zinc/28/03/26/437280326.db2.gz VNMJUBOQYMORQB-CYBMUJFWSA-N 1 2 345.407 0.764 20 30 ECEDLO Cc1nsc(N2CC[NH+](CCN3C(=O)N[C@@H](C)C3=O)CC2)c1C#N ZINC000333832243 437289767 /nfs/dbraw/zinc/28/97/67/437289767.db2.gz LMKJTNWKECKGDO-NSHDSACASA-N 1 2 348.432 0.386 20 30 ECEDLO C[C@@H]1OCC[C@@H]1NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000328943683 437290542 /nfs/dbraw/zinc/29/05/42/437290542.db2.gz UNJMZWGQXYTOOE-KCQAQPDRSA-N 1 2 329.466 0.875 20 30 ECEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccnc(N(C)C)n1 ZINC000329254964 437341540 /nfs/dbraw/zinc/34/15/40/437341540.db2.gz DFFVWXAKKOVQPG-UKRRQHHQSA-N 1 2 348.451 0.752 20 30 ECEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCC3(O)CCC3)ccn2)CC1 ZINC000329281041 437345955 /nfs/dbraw/zinc/34/59/55/437345955.db2.gz MIZUPYGCIRAMLU-UHFFFAOYSA-N 1 2 347.419 0.710 20 30 ECEDLO O=C(C[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1)NCC1CC1 ZINC000329288386 437346870 /nfs/dbraw/zinc/34/68/70/437346870.db2.gz PPZFZNDMJGCGIB-UHFFFAOYSA-N 1 2 329.466 0.548 20 30 ECEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)Nc1nncs1 ZINC000329306883 437349549 /nfs/dbraw/zinc/34/95/49/437349549.db2.gz BHXJGNNQKSPXIP-UWVGGRQHSA-N 1 2 339.400 1.210 20 30 ECEDLO COCc1nc2n(n1)C[C@H](NC(=O)C1([NH+]3CCOCC3)CCC1)CC2 ZINC000329316893 437352112 /nfs/dbraw/zinc/35/21/12/437352112.db2.gz FCULSJFCNGAQML-CYBMUJFWSA-N 1 2 349.435 0.951 20 30 ECEDLO C[C@@H](C#N)CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000182622917 437355296 /nfs/dbraw/zinc/35/52/96/437355296.db2.gz TZPBBXQIHMTGCI-AWEZNQCLSA-N 1 2 344.419 0.579 20 30 ECEDLO Cc1cc(C#N)nc(NCC[NH+]2CCN(C(=O)C3CCC3)CC2)n1 ZINC000329390696 437361072 /nfs/dbraw/zinc/36/10/72/437361072.db2.gz RJNFJRRVDMFSMG-UHFFFAOYSA-N 1 2 328.420 1.013 20 30 ECEDLO Cc1nc2n(n1)C[C@H](NC(=O)N1C[C@H]([NH+]3CCOCC3)C[C@@H]1C)CC2 ZINC000329423615 437367897 /nfs/dbraw/zinc/36/78/97/437367897.db2.gz HVLWSAFZSUUAKK-NWANDNLSSA-N 1 2 348.451 0.610 20 30 ECEDLO COC[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)[C@@H]1CCCO1 ZINC000329453590 437371504 /nfs/dbraw/zinc/37/15/04/437371504.db2.gz MASLCBUVTLTVSU-FZKCQIBNSA-N 1 2 341.452 0.889 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000337154175 437336072 /nfs/dbraw/zinc/33/60/72/437336072.db2.gz MRHDONOCKZFVSY-UHFFFAOYSA-N 1 2 332.470 0.509 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000337154175 437336074 /nfs/dbraw/zinc/33/60/74/437336074.db2.gz MRHDONOCKZFVSY-UHFFFAOYSA-N 1 2 332.470 0.509 20 30 ECEDLO Cn1cc([C@H](NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)C(F)(F)F)cn1 ZINC000329774894 437411349 /nfs/dbraw/zinc/41/13/49/437411349.db2.gz IWPMTRINBGGDSH-TUAOUCFPSA-N 1 2 347.341 0.952 20 30 ECEDLO Cn1cc([C@H](NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)C(F)(F)F)cn1 ZINC000329774894 437411352 /nfs/dbraw/zinc/41/13/52/437411352.db2.gz IWPMTRINBGGDSH-TUAOUCFPSA-N 1 2 347.341 0.952 20 30 ECEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CCCS(=O)(=O)C2)C1 ZINC000329782821 437412109 /nfs/dbraw/zinc/41/21/09/437412109.db2.gz OBFHMMSIQHYIFK-NEPJUHHUSA-N 1 2 326.422 0.701 20 30 ECEDLO CC(C)(CNC(=O)CN1CCO[C@]2(CCOC2)C1)[NH+]1CCOCC1 ZINC000329886198 437425005 /nfs/dbraw/zinc/42/50/05/437425005.db2.gz VTNVHRLCNRCLHE-QGZVFWFLSA-N 1 2 341.452 0.545 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000289100267 437380424 /nfs/dbraw/zinc/38/04/24/437380424.db2.gz HGYKGYGHBCYWLV-UONOGXRCSA-N 1 2 337.445 0.775 20 30 ECEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000289100267 437380428 /nfs/dbraw/zinc/38/04/28/437380428.db2.gz HGYKGYGHBCYWLV-UONOGXRCSA-N 1 2 337.445 0.775 20 30 ECEDLO CS(=O)(=O)C1(CNC([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000329542083 437381423 /nfs/dbraw/zinc/38/14/23/437381423.db2.gz DTDPRITXIJLTIP-JTQLQIEISA-N 1 2 326.422 0.738 20 30 ECEDLO C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000329554441 437383694 /nfs/dbraw/zinc/38/36/94/437383694.db2.gz BFKDQVPQJMESFB-QJPTWQEYSA-N 1 2 326.422 0.697 20 30 ECEDLO COc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)nn1 ZINC000338277338 437400384 /nfs/dbraw/zinc/40/03/84/437400384.db2.gz LWUZFPDBXXTGGH-GFCCVEGCSA-N 1 2 325.376 0.858 20 30 ECEDLO COc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)nn1 ZINC000338277338 437400385 /nfs/dbraw/zinc/40/03/85/437400385.db2.gz LWUZFPDBXXTGGH-GFCCVEGCSA-N 1 2 325.376 0.858 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCSC[C@H]2CO)CC1 ZINC000329676916 437400890 /nfs/dbraw/zinc/40/08/90/437400890.db2.gz WJVOUNIAJLSXGZ-HUUCEWRRSA-N 1 2 340.493 0.088 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCSC[C@H]2CO)CC1 ZINC000329676916 437400893 /nfs/dbraw/zinc/40/08/93/437400893.db2.gz WJVOUNIAJLSXGZ-HUUCEWRRSA-N 1 2 340.493 0.088 20 30 ECEDLO N#C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cccn2)C[C@@]12C(=O)Nc1ccccc12 ZINC000338249001 437401458 /nfs/dbraw/zinc/40/14/58/437401458.db2.gz BKMCCRBLJJHTOD-HBUWYVDXSA-N 1 2 337.383 0.589 20 30 ECEDLO N#C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@@]12C(=O)Nc1ccccc12 ZINC000338249001 437401464 /nfs/dbraw/zinc/40/14/64/437401464.db2.gz BKMCCRBLJJHTOD-HBUWYVDXSA-N 1 2 337.383 0.589 20 30 ECEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000330252774 437474259 /nfs/dbraw/zinc/47/42/59/437474259.db2.gz AHMVDRQULSCGKO-GFCCVEGCSA-N 1 2 333.392 0.783 20 30 ECEDLO O=C(NCc1cccnn1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000330254527 437476722 /nfs/dbraw/zinc/47/67/22/437476722.db2.gz PGZGXKSRBHSCDW-OAHLLOKOSA-N 1 2 337.449 0.688 20 30 ECEDLO CC1(C)CC[C@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)O1 ZINC000330307845 437481047 /nfs/dbraw/zinc/48/10/47/437481047.db2.gz MATCNQIECBHLAY-UONOGXRCSA-N 1 2 339.436 0.834 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(C)n2C[C@H]2CCCO2)CC1 ZINC000339024560 437435311 /nfs/dbraw/zinc/43/53/11/437435311.db2.gz YHQHVVOWMULNFS-OAHLLOKOSA-N 1 2 348.451 0.190 20 30 ECEDLO C#CCOc1ccc(C[NH+]2CCN(C(=O)Cn3cnnn3)CC2)cc1 ZINC000289804361 437442588 /nfs/dbraw/zinc/44/25/88/437442588.db2.gz MZLMZPBLVPKJTQ-UHFFFAOYSA-N 1 2 340.387 0.030 20 30 ECEDLO Cn1cc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CC[S@](=O)C3)CC2)cn1 ZINC000330004466 437444379 /nfs/dbraw/zinc/44/43/79/437444379.db2.gz BCACBWUTARINMS-FATZIPQQSA-N 1 2 339.465 0.363 20 30 ECEDLO Cn1cc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC[S@](=O)C3)CC2)cn1 ZINC000330004466 437444382 /nfs/dbraw/zinc/44/43/82/437444382.db2.gz BCACBWUTARINMS-FATZIPQQSA-N 1 2 339.465 0.363 20 30 ECEDLO CS(=O)(=O)C1(CNC(=O)NCC[N@@H+]2CCCOCC2)CCC1 ZINC000330003977 437444418 /nfs/dbraw/zinc/44/44/18/437444418.db2.gz ASZFOXLLKGFXQV-UHFFFAOYSA-N 1 2 333.454 0.180 20 30 ECEDLO CS(=O)(=O)C1(CNC(=O)NCC[N@H+]2CCCOCC2)CCC1 ZINC000330003977 437444421 /nfs/dbraw/zinc/44/44/21/437444421.db2.gz ASZFOXLLKGFXQV-UHFFFAOYSA-N 1 2 333.454 0.180 20 30 ECEDLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000330072578 437450475 /nfs/dbraw/zinc/45/04/75/437450475.db2.gz JSLMBSLRZCFZRD-PBFPGSCMSA-N 1 2 339.436 0.832 20 30 ECEDLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000330072578 437450478 /nfs/dbraw/zinc/45/04/78/437450478.db2.gz JSLMBSLRZCFZRD-PBFPGSCMSA-N 1 2 339.436 0.832 20 30 ECEDLO CC(=O)N1CCN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000330080081 437451585 /nfs/dbraw/zinc/45/15/85/437451585.db2.gz JCWHTHWMNDVSOT-KGLIPLIRSA-N 1 2 325.457 0.089 20 30 ECEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC(O[C@@H]3CCOC3)CC2)C1 ZINC000330083411 437451784 /nfs/dbraw/zinc/45/17/84/437451784.db2.gz QNERIEMWSWRICS-HUUCEWRRSA-N 1 2 327.425 0.501 20 30 ECEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CCC(O[C@@H]3CCOC3)CC2)C1 ZINC000330083411 437451789 /nfs/dbraw/zinc/45/17/89/437451789.db2.gz QNERIEMWSWRICS-HUUCEWRRSA-N 1 2 327.425 0.501 20 30 ECEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)CNC(=O)c3cccnc3)C2)CC1 ZINC000330172023 437462658 /nfs/dbraw/zinc/46/26/58/437462658.db2.gz XRWUKBMDMUCUKV-INIZCTEOSA-N 1 2 345.447 0.625 20 30 ECEDLO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000330193001 437465521 /nfs/dbraw/zinc/46/55/21/437465521.db2.gz AEFJXFNKNZIDOO-QWHCGFSZSA-N 1 2 345.465 0.273 20 30 ECEDLO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000330193001 437465523 /nfs/dbraw/zinc/46/55/23/437465523.db2.gz AEFJXFNKNZIDOO-QWHCGFSZSA-N 1 2 345.465 0.273 20 30 ECEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)c1cncc(C#N)c1 ZINC000290129208 437466260 /nfs/dbraw/zinc/46/62/60/437466260.db2.gz LOYKDEPYEQKJOI-UHFFFAOYSA-N 1 2 338.433 0.685 20 30 ECEDLO CN(CC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)c1cncc(C#N)c1 ZINC000290129208 437466264 /nfs/dbraw/zinc/46/62/64/437466264.db2.gz LOYKDEPYEQKJOI-UHFFFAOYSA-N 1 2 338.433 0.685 20 30 ECEDLO CC(C)[C@@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)[NH+]1CCOCC1 ZINC000330379914 437495783 /nfs/dbraw/zinc/49/57/83/437495783.db2.gz UCDUPHSXIVJJGY-UONOGXRCSA-N 1 2 332.470 0.269 20 30 ECEDLO CN(C)c1[nH+]cccc1CNC(=O)N1CC[C@@H](S(C)(=O)=O)C1 ZINC000330398291 437500366 /nfs/dbraw/zinc/50/03/66/437500366.db2.gz CJKSUTOKSKKBDH-GFCCVEGCSA-N 1 2 326.422 0.681 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)c(F)c3)C[C@H]21 ZINC000290582110 437501313 /nfs/dbraw/zinc/50/13/13/437501313.db2.gz UTINTMPZYMEHLW-HUUCEWRRSA-N 1 2 346.362 0.567 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)c(F)c3)C[C@H]21 ZINC000290582110 437501318 /nfs/dbraw/zinc/50/13/18/437501318.db2.gz UTINTMPZYMEHLW-HUUCEWRRSA-N 1 2 346.362 0.567 20 30 ECEDLO CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)co1 ZINC000330436704 437510371 /nfs/dbraw/zinc/51/03/71/437510371.db2.gz BCUZEKFEPCQYJQ-JTQLQIEISA-N 1 2 331.394 0.213 20 30 ECEDLO C=CCCCN(C)C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000339897606 437515220 /nfs/dbraw/zinc/51/52/20/437515220.db2.gz DONQDZCWKPAJAT-OAHLLOKOSA-N 1 2 325.453 0.884 20 30 ECEDLO CC(C)C[C@@H](CNC(=O)C(=O)NCCCCC#N)[NH+]1CCOCC1 ZINC000339988863 437542380 /nfs/dbraw/zinc/54/23/80/437542380.db2.gz XGQRJAKSUVMORP-HNNXBMFYSA-N 1 2 338.452 0.660 20 30 ECEDLO CC(C)[C@@H](CNC(=O)c1coc(S(N)(=O)=O)c1)[NH+]1CCOCC1 ZINC000330476431 437525389 /nfs/dbraw/zinc/52/53/89/437525389.db2.gz HQJQLRDZAUYICQ-GFCCVEGCSA-N 1 2 345.421 0.588 20 30 ECEDLO NC(=O)c1ncn([C@@H]2CCC[N@H+](CC(=O)NC[C@H]3CCCO3)C2)n1 ZINC000330352893 437489168 /nfs/dbraw/zinc/48/91/68/437489168.db2.gz NUSAQWDGGPJGFY-VXGBXAGGSA-N 1 2 336.396 0.149 20 30 ECEDLO NC(=O)c1ncn([C@@H]2CCC[N@@H+](CC(=O)NC[C@H]3CCCO3)C2)n1 ZINC000330352893 437489174 /nfs/dbraw/zinc/48/91/74/437489174.db2.gz NUSAQWDGGPJGFY-VXGBXAGGSA-N 1 2 336.396 0.149 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ncc(C#N)cc1Cl ZINC000330541005 437544161 /nfs/dbraw/zinc/54/41/61/437544161.db2.gz MOPWXHULXYBZFV-LBPRGKRZSA-N 1 2 338.795 0.372 20 30 ECEDLO N#CCCCCNC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000343324567 437558970 /nfs/dbraw/zinc/55/89/70/437558970.db2.gz LQIXIFOVDWFMCD-HNNXBMFYSA-N 1 2 336.436 0.510 20 30 ECEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCc1[nH+]ccn1C ZINC000360231742 437560511 /nfs/dbraw/zinc/56/05/11/437560511.db2.gz VFONUCZDRIGNBH-UHFFFAOYSA-N 1 2 336.359 1.503 20 30 ECEDLO C#CC[N@@H+](C)CC(=O)N(CCCC)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000192224503 437672495 /nfs/dbraw/zinc/67/24/95/437672495.db2.gz OBGBMXKHGQUJSG-UHFFFAOYSA-N 1 2 349.435 0.227 20 30 ECEDLO C#CC[N@H+](C)CC(=O)N(CCCC)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000192224503 437672502 /nfs/dbraw/zinc/67/25/02/437672502.db2.gz OBGBMXKHGQUJSG-UHFFFAOYSA-N 1 2 349.435 0.227 20 30 ECEDLO COC(=O)C1(CNC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)CCCCC1 ZINC000330849246 437634005 /nfs/dbraw/zinc/63/40/05/437634005.db2.gz PGIHXKCSYVYABC-AWEZNQCLSA-N 1 2 340.468 0.859 20 30 ECEDLO COC(=O)C1(CNC(=O)NC[C@H]2CN(C)CC[N@H+]2C)CCCCC1 ZINC000330849246 437634008 /nfs/dbraw/zinc/63/40/08/437634008.db2.gz PGIHXKCSYVYABC-AWEZNQCLSA-N 1 2 340.468 0.859 20 30 ECEDLO C[C@@H](CO)CNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330889211 437642165 /nfs/dbraw/zinc/64/21/65/437642165.db2.gz OAWLMIQKNUJAMF-GFCCVEGCSA-N 1 2 335.408 0.424 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NC1CCC(S(C)(=O)=O)CC1 ZINC000330934493 437651138 /nfs/dbraw/zinc/65/11/38/437651138.db2.gz IZXCZKZJQZHXEC-HSBZDZAISA-N 1 2 347.481 0.567 20 30 ECEDLO Cc1cn2c([nH+]1)[C@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)CCC2 ZINC000361189132 437656614 /nfs/dbraw/zinc/65/66/14/437656614.db2.gz PSUHTHDKWWKLMC-NSHDSACASA-N 1 2 328.376 0.450 20 30 ECEDLO 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/nfs/dbraw/zinc/79/45/56/437794556.db2.gz RHYFFGNKAVAQIA-GJZGRUSLSA-N 1 2 336.436 0.353 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cn3ccnc3s2)CC1 ZINC000364141162 437812455 /nfs/dbraw/zinc/81/24/55/437812455.db2.gz IPGZIPQAHJQOSE-UHFFFAOYSA-N 1 2 345.428 0.293 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cn3ccnc3s2)CC1 ZINC000364141162 437812461 /nfs/dbraw/zinc/81/24/61/437812461.db2.gz IPGZIPQAHJQOSE-UHFFFAOYSA-N 1 2 345.428 0.293 20 30 ECEDLO C#CCSCCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000365466507 437917445 /nfs/dbraw/zinc/91/74/45/437917445.db2.gz KCUNWVAVFQWFOP-OAHLLOKOSA-N 1 2 343.518 0.860 20 30 ECEDLO CC(=O)N1CCN(CC#CC[N@@H+]2CCN(C(C)=O)C[C@@H]2C)[C@@H](C)C1 ZINC000341883139 437918639 /nfs/dbraw/zinc/91/86/39/437918639.db2.gz AKRMCIYCEMYJIU-HOTGVXAUSA-N 1 2 334.464 0.095 20 30 ECEDLO CC(=O)N1CCN(CC#CC[N@H+]2CCN(C(C)=O)C[C@@H]2C)[C@@H](C)C1 ZINC000341883139 437918644 /nfs/dbraw/zinc/91/86/44/437918644.db2.gz AKRMCIYCEMYJIU-HOTGVXAUSA-N 1 2 334.464 0.095 20 30 ECEDLO C[C@H](C#N)S(=O)(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000416404383 437927211 /nfs/dbraw/zinc/92/72/11/437927211.db2.gz QGFFTDUYUQQVOR-OAHLLOKOSA-N 1 2 336.461 0.982 20 30 ECEDLO C=CCn1cc(CNc2nc3cc(OC)c(OC)cc3c(N)[nH+]2)nn1 ZINC000425261638 438019066 /nfs/dbraw/zinc/01/90/66/438019066.db2.gz DVAJVTBYTPFOES-UHFFFAOYSA-N 1 2 341.375 1.041 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000425869720 438046467 /nfs/dbraw/zinc/04/64/67/438046467.db2.gz KICLCCREQPVCQS-KBPBESRZSA-N 1 2 332.404 0.707 20 30 ECEDLO CNC(=O)C[N@@H+]1CCCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000372488829 438088508 /nfs/dbraw/zinc/08/85/08/438088508.db2.gz BYZNRUDNEKYQTK-UHFFFAOYSA-N 1 2 340.427 0.870 20 30 ECEDLO CNC(=O)C[N@H+]1CCCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000372488829 438088512 /nfs/dbraw/zinc/08/85/12/438088512.db2.gz BYZNRUDNEKYQTK-UHFFFAOYSA-N 1 2 340.427 0.870 20 30 ECEDLO COC(=O)C[C@@H](C)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000348738435 438091410 /nfs/dbraw/zinc/09/14/10/438091410.db2.gz 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ZINC000367531372 438218397 /nfs/dbraw/zinc/21/83/97/438218397.db2.gz OSNHJSICSQEDID-GFCCVEGCSA-N 1 2 337.298 0.426 20 30 ECEDLO COC(=O)C1(O)CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000367541557 438221665 /nfs/dbraw/zinc/22/16/65/438221665.db2.gz IDBGEZAJCLZLID-UHFFFAOYSA-N 1 2 337.420 0.671 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000374401205 438206484 /nfs/dbraw/zinc/20/64/84/438206484.db2.gz JDVSVMIAHNCSHP-LBPRGKRZSA-N 1 2 334.405 0.693 20 30 ECEDLO N#Cc1c(N2CCC[N@@H+](CC(N)=O)CC2)nc2cc(Cl)ccn21 ZINC000376119326 438270685 /nfs/dbraw/zinc/27/06/85/438270685.db2.gz VUUVSCFUZSPDIZ-UHFFFAOYSA-N 1 2 332.795 0.857 20 30 ECEDLO N#Cc1c(N2CCC[N@H+](CC(N)=O)CC2)nc2cc(Cl)ccn21 ZINC000376119326 438270688 /nfs/dbraw/zinc/27/06/88/438270688.db2.gz VUUVSCFUZSPDIZ-UHFFFAOYSA-N 1 2 332.795 0.857 20 30 ECEDLO C=CCSCCNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000351624177 438306618 /nfs/dbraw/zinc/30/66/18/438306618.db2.gz XPXJXYPUZOTBAN-CYBMUJFWSA-N 1 2 340.493 0.900 20 30 ECEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000369221366 438440606 /nfs/dbraw/zinc/44/06/06/438440606.db2.gz WZUBLKSEVMIBIY-HNNXBMFYSA-N 1 2 335.452 0.479 20 30 ECEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000369221366 438440609 /nfs/dbraw/zinc/44/06/09/438440609.db2.gz WZUBLKSEVMIBIY-HNNXBMFYSA-N 1 2 335.452 0.479 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2ccnc3c2c(C)nn3C)CC1 ZINC000420581190 438411796 /nfs/dbraw/zinc/41/17/96/438411796.db2.gz HJCXRAROWXAAID-UHFFFAOYSA-N 1 2 328.420 0.701 20 30 ECEDLO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1COC[C@@H]1O ZINC000352795167 438476425 /nfs/dbraw/zinc/47/64/25/438476425.db2.gz CMHZWWXTPMDFFB-CABCVRRESA-N 1 2 341.371 0.374 20 30 ECEDLO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1COC[C@@H]1O ZINC000352795167 438476428 /nfs/dbraw/zinc/47/64/28/438476428.db2.gz CMHZWWXTPMDFFB-CABCVRRESA-N 1 2 341.371 0.374 20 30 ECEDLO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1COC[C@@H]1O ZINC000352795169 438477285 /nfs/dbraw/zinc/47/72/85/438477285.db2.gz CMHZWWXTPMDFFB-GJZGRUSLSA-N 1 2 341.371 0.374 20 30 ECEDLO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1COC[C@@H]1O ZINC000352795169 438477288 /nfs/dbraw/zinc/47/72/88/438477288.db2.gz CMHZWWXTPMDFFB-GJZGRUSLSA-N 1 2 341.371 0.374 20 30 ECEDLO CC1(C)C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@]2(CCOC2)O1 ZINC000369541490 438488526 /nfs/dbraw/zinc/48/85/26/438488526.db2.gz OKRLFXNPTJXINA-KRWDZBQOSA-N 1 2 334.420 0.912 20 30 ECEDLO CC1(C)C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@]2(CCOC2)O1 ZINC000369541490 438488529 /nfs/dbraw/zinc/48/85/29/438488529.db2.gz OKRLFXNPTJXINA-KRWDZBQOSA-N 1 2 334.420 0.912 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN([C@@H](CC)C(=O)OC)CC1 ZINC000352665933 438457467 /nfs/dbraw/zinc/45/74/67/438457467.db2.gz GNPBGERFFARPJZ-HNNXBMFYSA-N 1 2 325.453 0.980 20 30 ECEDLO CO[C@@]1(CO)CCC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000401804902 438461236 /nfs/dbraw/zinc/46/12/36/438461236.db2.gz PRHWKNQQSVIPJJ-INIZCTEOSA-N 1 2 338.429 0.805 20 30 ECEDLO CO[C@@]1(CO)CCC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000401804902 438461240 /nfs/dbraw/zinc/46/12/40/438461240.db2.gz PRHWKNQQSVIPJJ-INIZCTEOSA-N 1 2 338.429 0.805 20 30 ECEDLO CC1(C[NH+]2CCN(S(=O)(=O)c3ccccc3C#N)CC2)COC1 ZINC000441177895 438578969 /nfs/dbraw/zinc/57/89/69/438578969.db2.gz RXZIXGXCMUEWKK-UHFFFAOYSA-N 1 2 335.429 0.901 20 30 ECEDLO C=CCCCCCN(C)C(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000410476186 438588131 /nfs/dbraw/zinc/58/81/31/438588131.db2.gz KQIFJXHQUIPBFY-UHFFFAOYSA-N 1 2 325.453 0.982 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCC1CCC(C#N)CC1 ZINC000442735432 438620244 /nfs/dbraw/zinc/62/02/44/438620244.db2.gz GLEIPMYIKKCTBM-GPANFISMSA-N 1 2 338.452 0.651 20 30 ECEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NCC[NH+]1CCC(O)CC1 ZINC000451997215 438624313 /nfs/dbraw/zinc/62/43/13/438624313.db2.gz QXNAKMLPRXVVHN-UHFFFAOYSA-N 1 2 343.836 0.947 20 30 ECEDLO N#Cc1ccc(C(=O)NCCCC[NH+]2CCN(CCO)CC2)cc1O ZINC000442798134 438624802 /nfs/dbraw/zinc/62/48/02/438624802.db2.gz GIXKRQGNYUPCII-UHFFFAOYSA-N 1 2 346.431 0.384 20 30 ECEDLO N#Cc1ccc(C(=O)NCCCCN2CC[NH+](CCO)CC2)cc1O ZINC000442798134 438624808 /nfs/dbraw/zinc/62/48/08/438624808.db2.gz GIXKRQGNYUPCII-UHFFFAOYSA-N 1 2 346.431 0.384 20 30 ECEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)Cn2cnc(C#N)n2)C1 ZINC000442817292 438625310 /nfs/dbraw/zinc/62/53/10/438625310.db2.gz GIRKHLIHBVYARA-MRXNPFEDSA-N 1 2 348.407 0.072 20 30 ECEDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000452015179 438626118 /nfs/dbraw/zinc/62/61/18/438626118.db2.gz NYTQYBXJFWHGII-HUUCEWRRSA-N 1 2 329.404 0.820 20 30 ECEDLO CN(C)C(=O)N[C@@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000452015179 438626121 /nfs/dbraw/zinc/62/61/21/438626121.db2.gz NYTQYBXJFWHGII-HUUCEWRRSA-N 1 2 329.404 0.820 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH+]1CCN(c2ccc(OC)cn2)CC1 ZINC000452044429 438630922 /nfs/dbraw/zinc/63/09/22/438630922.db2.gz DDGVWNIYGQLEBX-UHFFFAOYSA-N 1 2 333.392 0.224 20 30 ECEDLO N#Cc1nc(NC[C@H](O)C[NH+]2CCOCC2)ccc1C(F)(F)F ZINC000443424795 438652538 /nfs/dbraw/zinc/65/25/38/438652538.db2.gz BVSBTLXYEVMOQL-JTQLQIEISA-N 1 2 330.310 1.077 20 30 ECEDLO N#Cc1nc(NC[C@@H](O)C[NH+]2CCOCC2)ccc1C(F)(F)F ZINC000443424797 438652884 /nfs/dbraw/zinc/65/28/84/438652884.db2.gz BVSBTLXYEVMOQL-SNVBAGLBSA-N 1 2 330.310 1.077 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)C[C@H](C)[N@H+]1CCO ZINC000451884969 438611416 /nfs/dbraw/zinc/61/14/16/438611416.db2.gz AUODGVJVKICIKM-OKILXGFUSA-N 1 2 337.445 0.775 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)Cc2cccc(C#N)c2)C[C@H](C)[N@@H+]1CCO ZINC000451884969 438611419 /nfs/dbraw/zinc/61/14/19/438611419.db2.gz AUODGVJVKICIKM-OKILXGFUSA-N 1 2 337.445 0.775 20 30 ECEDLO C=C(C)CN(C)C(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000410938547 438668388 /nfs/dbraw/zinc/66/83/88/438668388.db2.gz ORTPHXIUIBZGFK-CYBMUJFWSA-N 1 2 325.409 0.117 20 30 ECEDLO C=C(C)CN(C)C(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000410938547 438668391 /nfs/dbraw/zinc/66/83/91/438668391.db2.gz ORTPHXIUIBZGFK-CYBMUJFWSA-N 1 2 325.409 0.117 20 30 ECEDLO CCCN1C[C@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)CC1=O ZINC000412124797 438685494 /nfs/dbraw/zinc/68/54/94/438685494.db2.gz IVQQLXNJIMUBKR-OAHLLOKOSA-N 1 2 336.436 0.319 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000453738243 438693025 /nfs/dbraw/zinc/69/30/25/438693025.db2.gz MTFBVYUABYGUKP-AWEZNQCLSA-N 1 2 344.415 0.870 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](Oc2cccnc2N(C)C)C1 ZINC000451026199 438695222 /nfs/dbraw/zinc/69/52/22/438695222.db2.gz LCRQUJYFOIKYRN-CYBMUJFWSA-N 1 2 347.419 0.613 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](Oc2cccnc2N(C)C)C1 ZINC000451026199 438695226 /nfs/dbraw/zinc/69/52/26/438695226.db2.gz LCRQUJYFOIKYRN-CYBMUJFWSA-N 1 2 347.419 0.613 20 30 ECEDLO Cc1ccc([C@@]2(C)NC(=O)N(C[C@@H](O)C[N@H+](C)CCC#N)C2=O)cc1 ZINC000414107495 438698852 /nfs/dbraw/zinc/69/88/52/438698852.db2.gz KHDKNYXCYLEODP-MAUKXSAKSA-N 1 2 344.415 0.968 20 30 ECEDLO Cc1ccc([C@@]2(C)NC(=O)N(C[C@@H](O)C[N@@H+](C)CCC#N)C2=O)cc1 ZINC000414107495 438698856 /nfs/dbraw/zinc/69/88/56/438698856.db2.gz KHDKNYXCYLEODP-MAUKXSAKSA-N 1 2 344.415 0.968 20 30 ECEDLO COC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)c([N+](=O)[O-])c1 ZINC000414121728 438699972 /nfs/dbraw/zinc/69/99/72/438699972.db2.gz FIRYHVUHBTWACC-LBPRGKRZSA-N 1 2 337.332 0.967 20 30 ECEDLO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)c([N+](=O)[O-])c1 ZINC000414121728 438699974 /nfs/dbraw/zinc/69/99/74/438699974.db2.gz FIRYHVUHBTWACC-LBPRGKRZSA-N 1 2 337.332 0.967 20 30 ECEDLO CC[N@H+](Cc1nnc(C)o1)[C@@H]1CN(C(=O)C2(C#N)CC(C)C2)C[C@H]1O ZINC000548024769 438722149 /nfs/dbraw/zinc/72/21/49/438722149.db2.gz QHEIRXWCZVJUHE-USRBBDPCSA-N 1 2 347.419 0.712 20 30 ECEDLO CC[N@@H+](Cc1nnc(C)o1)[C@@H]1CN(C(=O)C2(C#N)CC(C)C2)C[C@H]1O ZINC000548024769 438722154 /nfs/dbraw/zinc/72/21/54/438722154.db2.gz QHEIRXWCZVJUHE-USRBBDPCSA-N 1 2 347.419 0.712 20 30 ECEDLO C[C@@H](C#N)CNC(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000495219756 438724445 /nfs/dbraw/zinc/72/44/45/438724445.db2.gz HLJOCSDZBMBWBH-ZDUSSCGKSA-N 1 2 339.440 0.998 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000575113833 438737973 /nfs/dbraw/zinc/73/79/73/438737973.db2.gz GSRSSQHOOYPSQA-CQSZACIVSA-N 1 2 326.404 0.836 20 30 ECEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000595609945 438834219 /nfs/dbraw/zinc/83/42/19/438834219.db2.gz QNMCBGRNKUNZAE-LBPRGKRZSA-N 1 2 336.417 0.898 20 30 ECEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000595609945 438834226 /nfs/dbraw/zinc/83/42/26/438834226.db2.gz QNMCBGRNKUNZAE-LBPRGKRZSA-N 1 2 336.417 0.898 20 30 ECEDLO C=CCN1CC[C@H](n2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)C1=O ZINC000559631024 438836234 /nfs/dbraw/zinc/83/62/34/438836234.db2.gz SXTSQTMTMFKFPZ-INIZCTEOSA-N 1 2 342.399 0.512 20 30 ECEDLO CCCN1C(=O)CC[C@@H](C(=O)NCC#CCO)[C@@H]1c1c[nH+]cn1C ZINC000578082679 438896363 /nfs/dbraw/zinc/89/63/63/438896363.db2.gz YGQWCSMAVJYJJW-CZUORRHYSA-N 1 2 332.404 0.222 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000563634368 438867482 /nfs/dbraw/zinc/86/74/82/438867482.db2.gz FKQRLUMUBONKRV-NWDGAFQWSA-N 1 2 343.453 0.548 20 30 ECEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCOC[C@H]1C#N ZINC000589433052 438872375 /nfs/dbraw/zinc/87/23/75/438872375.db2.gz WVCJNHPXRQVBHQ-ZIAGYGMSSA-N 1 2 333.392 0.234 20 30 ECEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCOC[C@H]1C#N ZINC000589433052 438872381 /nfs/dbraw/zinc/87/23/81/438872381.db2.gz WVCJNHPXRQVBHQ-ZIAGYGMSSA-N 1 2 333.392 0.234 20 30 ECEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCSC[C@H]1C#N ZINC000564617650 438874887 /nfs/dbraw/zinc/87/48/87/438874887.db2.gz JBVGXNXXAXKAID-KGLIPLIRSA-N 1 2 349.460 0.951 20 30 ECEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCSC[C@H]1C#N ZINC000564617650 438874893 /nfs/dbraw/zinc/87/48/93/438874893.db2.gz JBVGXNXXAXKAID-KGLIPLIRSA-N 1 2 349.460 0.951 20 30 ECEDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 ZINC000601404783 438877803 /nfs/dbraw/zinc/87/78/03/438877803.db2.gz FSANAEQDECIJNT-GOEBONIOSA-N 1 2 335.429 0.796 20 30 ECEDLO C[N@H+]1CCO[C@H](CS(=O)(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 ZINC000601404783 438877806 /nfs/dbraw/zinc/87/78/06/438877806.db2.gz FSANAEQDECIJNT-GOEBONIOSA-N 1 2 335.429 0.796 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cn1nnc2c1CCCC2 ZINC000515668635 438879017 /nfs/dbraw/zinc/87/90/17/438879017.db2.gz LBTBLONXWZNDJT-UHFFFAOYSA-N 1 2 346.435 0.231 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000564870590 438880390 /nfs/dbraw/zinc/88/03/90/438880390.db2.gz CRWCTWVUBNFEGW-MAUKXSAKSA-N 1 2 328.416 0.995 20 30 ECEDLO N#CCc1cccc(S(=O)(=O)N2CC(C[NH+]3CCOCC3)C2)c1 ZINC000601418364 438884438 /nfs/dbraw/zinc/88/44/38/438884438.db2.gz QGUJNCOSECQQLD-UHFFFAOYSA-N 1 2 335.429 0.705 20 30 ECEDLO N#Cc1sccc1S(=O)(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000601418469 438885510 /nfs/dbraw/zinc/88/55/10/438885510.db2.gz SYLMZFQZLPRQFX-UHFFFAOYSA-N 1 2 327.431 0.572 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000601424374 438888976 /nfs/dbraw/zinc/88/89/76/438888976.db2.gz HWKPOXQZHWAJNO-ZIAGYGMSSA-N 1 2 330.454 0.119 20 30 ECEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H](CO)C1 ZINC000601469801 438908993 /nfs/dbraw/zinc/90/89/93/438908993.db2.gz UYCCEUHOYSZHPO-CQSZACIVSA-N 1 2 337.445 0.785 20 30 ECEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H](CO)C1 ZINC000601469801 438908997 /nfs/dbraw/zinc/90/89/97/438908997.db2.gz UYCCEUHOYSZHPO-CQSZACIVSA-N 1 2 337.445 0.785 20 30 ECEDLO C[N@@H+]1C[C@H]2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)[C@H]2C1 ZINC000590442046 438924323 /nfs/dbraw/zinc/92/43/23/438924323.db2.gz FXIWLGGDVWALRK-CVEARBPZSA-N 1 2 347.440 0.636 20 30 ECEDLO C[N@H+]1C[C@H]2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)[C@H]2C1 ZINC000590442046 438924328 /nfs/dbraw/zinc/92/43/28/438924328.db2.gz FXIWLGGDVWALRK-CVEARBPZSA-N 1 2 347.440 0.636 20 30 ECEDLO COC(=O)c1ccc(N2CCN(Cc3[nH+]ccn3C)CC2)c(C#N)n1 ZINC000565222241 438930478 /nfs/dbraw/zinc/93/04/78/438930478.db2.gz NRYAGXJDZHLQEI-UHFFFAOYSA-N 1 2 340.387 0.796 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CCc3c([nH+]c(C)n3CCO)C2)nn1 ZINC000516931921 438937527 /nfs/dbraw/zinc/93/75/27/438937527.db2.gz UTMMKGQOUVSBSA-CYBMUJFWSA-N 1 2 344.419 0.639 20 30 ECEDLO N#Cc1cccc([N+](=O)[O-])c1CN(CCO)CC[NH+]1CCOCC1 ZINC000459370139 438962459 /nfs/dbraw/zinc/96/24/59/438962459.db2.gz WYWWKPMAIMFNKE-UHFFFAOYSA-N 1 2 334.376 0.593 20 30 ECEDLO N#CCCN(C(=O)C[N@H+]1C[C@H](CO)[C@H](O)C1)c1cccc(Cl)c1 ZINC000459708663 438989034 /nfs/dbraw/zinc/98/90/34/438989034.db2.gz RNJHFMXCTMKJLY-IUODEOHRSA-N 1 2 337.807 0.872 20 30 ECEDLO N#CCCN(C(=O)C[N@@H+]1C[C@H](CO)[C@H](O)C1)c1cccc(Cl)c1 ZINC000459708663 438989042 /nfs/dbraw/zinc/98/90/42/438989042.db2.gz RNJHFMXCTMKJLY-IUODEOHRSA-N 1 2 337.807 0.872 20 30 ECEDLO Cn1nccc1CCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000601913199 438989104 /nfs/dbraw/zinc/98/91/04/438989104.db2.gz QELKPOAGWVNGML-UHFFFAOYSA-N 1 2 327.388 0.528 20 30 ECEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CC2(C#N)CCOCC2)CC1 ZINC000596692913 438990166 /nfs/dbraw/zinc/99/01/66/438990166.db2.gz BWNYLDSRADQIGM-AWEZNQCLSA-N 1 2 348.447 0.508 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCC1(C#N)CCCCC1 ZINC000597192882 439055578 /nfs/dbraw/zinc/05/55/78/439055578.db2.gz PPMDUVAAGOMCHQ-CQSZACIVSA-N 1 2 336.436 0.414 20 30 ECEDLO CC(C)(C)n1nnc(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000597023439 439029721 /nfs/dbraw/zinc/02/97/21/439029721.db2.gz WJKLNBVVRJLWHS-UHFFFAOYSA-N 1 2 349.439 0.045 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCc1ccc(CC#N)cc1 ZINC000519540293 439038007 /nfs/dbraw/zinc/03/80/07/439038007.db2.gz OIZLNINLUUOPTA-AWEZNQCLSA-N 1 2 344.415 0.206 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COCCNC(=O)c1ccccc1 ZINC000579839176 439041284 /nfs/dbraw/zinc/04/12/84/439041284.db2.gz NLRRSTVBWWJNHE-KRWDZBQOSA-N 1 2 332.404 0.393 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCn1cnc2sccc2c1=O ZINC000520478054 439087279 /nfs/dbraw/zinc/08/72/79/439087279.db2.gz MBRYLGRYCQYRNC-HNNXBMFYSA-N 1 2 333.417 0.808 20 30 ECEDLO CN1C[C@@H]([N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)CCC1=O ZINC000580446726 439092242 /nfs/dbraw/zinc/09/22/42/439092242.db2.gz UULBAEOFMWHQOA-ZDUSSCGKSA-N 1 2 336.417 0.280 20 30 ECEDLO CN1C[C@@H]([N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)CCC1=O ZINC000580446726 439092247 /nfs/dbraw/zinc/09/22/47/439092247.db2.gz UULBAEOFMWHQOA-ZDUSSCGKSA-N 1 2 336.417 0.280 20 30 ECEDLO COCCN(CCC#N)S(=O)(=O)NCCc1ccc(C)[nH+]c1 ZINC000580572719 439107064 /nfs/dbraw/zinc/10/70/64/439107064.db2.gz FVVYGUYUSJYRDN-UHFFFAOYSA-N 1 2 326.422 0.629 20 30 ECEDLO CC(C)Nc1nc(N2CCC(CCC#N)CC2)nc(NCCO)[nH+]1 ZINC000567466736 439144576 /nfs/dbraw/zinc/14/45/76/439144576.db2.gz CRPZRLUUICUKLT-UHFFFAOYSA-N 1 2 333.440 0.460 20 30 ECEDLO CC(C)Nc1nc(NCCO)[nH+]c(N2CCC(CCC#N)CC2)n1 ZINC000567466736 439144582 /nfs/dbraw/zinc/14/45/82/439144582.db2.gz CRPZRLUUICUKLT-UHFFFAOYSA-N 1 2 333.440 0.460 20 30 ECEDLO CC(C)Nc1nc(NCCO)nc(N2CCC(CCC#N)CC2)[nH+]1 ZINC000567466736 439144587 /nfs/dbraw/zinc/14/45/87/439144587.db2.gz CRPZRLUUICUKLT-UHFFFAOYSA-N 1 2 333.440 0.460 20 30 ECEDLO C[C@@H]1C[N@H+]([C@H]2CCCN(c3cnn(C)c3)C2=O)C[C@H](C)N1CC#N ZINC000602854578 439144870 /nfs/dbraw/zinc/14/48/70/439144870.db2.gz CTLYAJCRXCJWEG-LZWOXQAQSA-N 1 2 330.436 0.834 20 30 ECEDLO C[C@@H]1C[N@@H+]([C@H]2CCCN(c3cnn(C)c3)C2=O)C[C@H](C)N1CC#N ZINC000602854578 439144874 /nfs/dbraw/zinc/14/48/74/439144874.db2.gz CTLYAJCRXCJWEG-LZWOXQAQSA-N 1 2 330.436 0.834 20 30 ECEDLO C[C@@H]1C[N@@H+](CC(=O)NCc2ccc3c(c2)OCO3)C[C@H](C)N1CC#N ZINC000602864833 439148650 /nfs/dbraw/zinc/14/86/50/439148650.db2.gz QTMGMHAHZRNOAJ-OKILXGFUSA-N 1 2 344.415 0.950 20 30 ECEDLO C[C@@H]1C[N@H+](CC(=O)NCc2ccc3c(c2)OCO3)C[C@H](C)N1CC#N ZINC000602864833 439148656 /nfs/dbraw/zinc/14/86/56/439148656.db2.gz QTMGMHAHZRNOAJ-OKILXGFUSA-N 1 2 344.415 0.950 20 30 ECEDLO Cc1cccc2[nH+]c(CCNS(=O)(=O)N3CCO[C@H](C#N)C3)cn21 ZINC000592120884 439162876 /nfs/dbraw/zinc/16/28/76/439162876.db2.gz ICYGFTDHBYASJF-CQSZACIVSA-N 1 2 349.416 0.244 20 30 ECEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC000592147621 439164925 /nfs/dbraw/zinc/16/49/25/439164925.db2.gz MRUBRHRFJDVBJK-CXAGYDPISA-N 1 2 331.372 0.293 20 30 ECEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC000592147621 439164929 /nfs/dbraw/zinc/16/49/29/439164929.db2.gz MRUBRHRFJDVBJK-CXAGYDPISA-N 1 2 331.372 0.293 20 30 ECEDLO CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592149753 439166146 /nfs/dbraw/zinc/16/61/46/439166146.db2.gz WAHBFXZBRKALHK-PXAZEXFGSA-N 1 2 330.388 0.724 20 30 ECEDLO CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592149753 439166147 /nfs/dbraw/zinc/16/61/47/439166147.db2.gz WAHBFXZBRKALHK-PXAZEXFGSA-N 1 2 330.388 0.724 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)COc2ccccc2C#N)nn1 ZINC000603263925 439223290 /nfs/dbraw/zinc/22/32/90/439223290.db2.gz IYACPHUTLIRHRS-INIZCTEOSA-N 1 2 325.372 0.703 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)CN1CC[NH+](CCc2cnccn2)CC1 ZINC000602998742 439177240 /nfs/dbraw/zinc/17/72/40/439177240.db2.gz JXQWHKJGWXJAJO-GOSISDBHSA-N 1 2 344.463 0.691 20 30 ECEDLO Cn1nc(C(=O)NC2(C#N)CC[NH+](C)CC2)c(=O)c2ccccc21 ZINC000524210610 439181848 /nfs/dbraw/zinc/18/18/48/439181848.db2.gz LYGFVEOQLJNQQT-UHFFFAOYSA-N 1 2 325.372 0.651 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1F ZINC000489394408 439227021 /nfs/dbraw/zinc/22/70/21/439227021.db2.gz BQXXXCNSOHJKBF-UHFFFAOYSA-N 1 2 349.391 0.927 20 30 ECEDLO COCC[N@H+](C)Cc1cn([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)nn1 ZINC000603174997 439200953 /nfs/dbraw/zinc/20/09/53/439200953.db2.gz JOPJRNWUPXKXLI-XJKSGUPXSA-N 1 2 336.440 0.972 20 30 ECEDLO COCC[N@@H+](C)Cc1cn([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)nn1 ZINC000603174997 439200957 /nfs/dbraw/zinc/20/09/57/439200957.db2.gz JOPJRNWUPXKXLI-XJKSGUPXSA-N 1 2 336.440 0.972 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)Cn1cc(C[NH+]2CCC(OC)CC2)nn1 ZINC000603207883 439209935 /nfs/dbraw/zinc/20/99/35/439209935.db2.gz DHTCHKAGGZYUSY-CQSZACIVSA-N 1 2 348.451 0.897 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000581432823 439211694 /nfs/dbraw/zinc/21/16/94/439211694.db2.gz MCAUUZJPGMAOTG-GOSISDBHSA-N 1 2 339.399 0.865 20 30 ECEDLO COC(=O)CN(CC#N)S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000603290809 439229679 /nfs/dbraw/zinc/22/96/79/439229679.db2.gz YAXQTBZECUBBHI-UHFFFAOYSA-N 1 2 337.401 0.362 20 30 ECEDLO COC(=O)CN(CC#N)S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000603290809 439229685 /nfs/dbraw/zinc/22/96/85/439229685.db2.gz YAXQTBZECUBBHI-UHFFFAOYSA-N 1 2 337.401 0.362 20 30 ECEDLO CC[C@H](C#N)C(=O)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000598362413 439255666 /nfs/dbraw/zinc/25/56/66/439255666.db2.gz AAWDCBIODRNOPS-SJLPKXTDSA-N 1 2 331.416 0.916 20 30 ECEDLO CC[C@H](C#N)C(=O)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000598362413 439255670 /nfs/dbraw/zinc/25/56/70/439255670.db2.gz AAWDCBIODRNOPS-SJLPKXTDSA-N 1 2 331.416 0.916 20 30 ECEDLO C#CC[NH+]1CCN(CN2C(=O)N[C@@]3(C2=O)[C@H](C)CCC[C@@H]3C)CC1 ZINC000490544273 439273368 /nfs/dbraw/zinc/27/33/68/439273368.db2.gz GSTGTXUQYYIALG-HWWDLCQESA-N 1 2 332.448 0.941 20 30 ECEDLO C#CCN1CCN(C(=O)C[NH+]2CCN(c3ccc(F)cn3)CC2)CC1 ZINC000490923300 439314157 /nfs/dbraw/zinc/31/41/57/439314157.db2.gz JZUWWTRJQPHUBY-UHFFFAOYSA-N 1 2 345.422 0.120 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)N2C[C@H](C)S(=O)(=O)[C@@H](CC)C2)CC1 ZINC000491096943 439330206 /nfs/dbraw/zinc/33/02/06/439330206.db2.gz YBGPRHZMSWGODW-ZFWWWQNUSA-N 1 2 326.462 0.756 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CON=Cc2cc(OC)cc(OC)c2)CC1 ZINC000490719466 439291463 /nfs/dbraw/zinc/29/14/63/439291463.db2.gz NAKSTJAPFKJIHZ-UHFFFAOYSA-N 1 2 345.399 0.832 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC23CCOCC3)CC1 ZINC000490760295 439296289 /nfs/dbraw/zinc/29/62/89/439296289.db2.gz KSIQFDNTHHTLDI-HNNXBMFYSA-N 1 2 333.432 0.087 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC23CCOCC3)CC1 ZINC000490760295 439296292 /nfs/dbraw/zinc/29/62/92/439296292.db2.gz KSIQFDNTHHTLDI-HNNXBMFYSA-N 1 2 333.432 0.087 20 30 ECEDLO N#CC1(NC(=O)C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)CCC1 ZINC000598642894 439296504 /nfs/dbraw/zinc/29/65/04/439296504.db2.gz IRMUGQSURPZTRZ-AWEZNQCLSA-N 1 2 333.413 0.808 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000490779214 439297695 /nfs/dbraw/zinc/29/76/95/439297695.db2.gz SUJYORMNSHYURR-UHFFFAOYSA-N 1 2 326.356 0.281 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(-n3nnnc3C)c2)CC1 ZINC000490779418 439297932 /nfs/dbraw/zinc/29/79/32/439297932.db2.gz VUNLIGKMMSCVMK-UHFFFAOYSA-N 1 2 339.403 0.160 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2ccc(C)o2)CC1 ZINC000490781152 439298814 /nfs/dbraw/zinc/29/88/14/439298814.db2.gz XHVZPEMRSVRWOA-UHFFFAOYSA-N 1 2 331.416 0.804 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2ccc(C)o2)CC1 ZINC000490781152 439298818 /nfs/dbraw/zinc/29/88/18/439298818.db2.gz XHVZPEMRSVRWOA-UHFFFAOYSA-N 1 2 331.416 0.804 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc3c2oc(=O)n3C)CC1 ZINC000490875674 439307202 /nfs/dbraw/zinc/30/72/02/439307202.db2.gz RFGBCKROPPKCRP-UHFFFAOYSA-N 1 2 328.372 0.321 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(c3cccnc3)CC2)CC1 ZINC000491274990 439360741 /nfs/dbraw/zinc/36/07/41/439360741.db2.gz BUDFSCVMJKHMDO-UHFFFAOYSA-N 1 2 340.427 0.397 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2(c3cccnc3)CC2)CC1 ZINC000491274990 439360746 /nfs/dbraw/zinc/36/07/46/439360746.db2.gz BUDFSCVMJKHMDO-UHFFFAOYSA-N 1 2 340.427 0.397 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2nc(C)c3ccccc3n2)CC1 ZINC000491166009 439342797 /nfs/dbraw/zinc/34/27/97/439342797.db2.gz OXVQZJRQOXGPTP-UHFFFAOYSA-N 1 2 337.427 0.805 20 30 ECEDLO N#Cc1ccc(CC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cn1 ZINC000599143660 439367621 /nfs/dbraw/zinc/36/76/21/439367621.db2.gz NBMJNJGRHDBWTM-KRWDZBQOSA-N 1 2 346.456 0.820 20 30 ECEDLO N#Cc1ccc(CC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cn1 ZINC000599143661 439366868 /nfs/dbraw/zinc/36/68/68/439366868.db2.gz NBMJNJGRHDBWTM-QGZVFWFLSA-N 1 2 346.456 0.820 20 30 ECEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000599195212 439379272 /nfs/dbraw/zinc/37/92/72/439379272.db2.gz UCIBWDKHFMIVNV-INIZCTEOSA-N 1 2 343.431 0.720 20 30 ECEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000599195212 439379274 /nfs/dbraw/zinc/37/92/74/439379274.db2.gz UCIBWDKHFMIVNV-INIZCTEOSA-N 1 2 343.431 0.720 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@@H](C(F)(F)F)OC(C)(C)C2)CC1 ZINC000491494485 439395026 /nfs/dbraw/zinc/39/50/26/439395026.db2.gz CWQNFVVMBBBBPG-ZDUSSCGKSA-N 1 2 347.381 0.806 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCC[C@]3(CCCCO3)[C@@H]2C#N)CC1 ZINC000491506088 439396120 /nfs/dbraw/zinc/39/61/20/439396120.db2.gz OJMHYTZWEQTPLO-PKOBYXMFSA-N 1 2 344.459 0.691 20 30 ECEDLO C=CCN(C)C(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000570064135 439388263 /nfs/dbraw/zinc/38/82/63/439388263.db2.gz CUZITPXFYFCLJU-UHFFFAOYSA-N 1 2 330.432 0.569 20 30 ECEDLO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000593576573 439410997 /nfs/dbraw/zinc/41/09/97/439410997.db2.gz UVPABNDHIQHHQZ-UHFFFAOYSA-N 1 2 346.368 0.787 20 30 ECEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(NCC3(C#N)CC3)nc2)CC1 ZINC000570373794 439413324 /nfs/dbraw/zinc/41/33/24/439413324.db2.gz TUCFUTYWOKOLJM-UHFFFAOYSA-N 1 2 335.433 0.733 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccsc2C#N)[C@@H](C)C1 ZINC000593579060 439413359 /nfs/dbraw/zinc/41/33/59/439413359.db2.gz RILMYOHSVKQHRQ-QWRGUYRKSA-N 1 2 329.447 0.695 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccsc2C#N)[C@@H](C)C1 ZINC000593579060 439413363 /nfs/dbraw/zinc/41/33/63/439413363.db2.gz RILMYOHSVKQHRQ-QWRGUYRKSA-N 1 2 329.447 0.695 20 30 ECEDLO C#C[C@@H]1COCCN1C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000491654401 439418880 /nfs/dbraw/zinc/41/88/80/439418880.db2.gz AADTWTGUYRQCPB-OAHLLOKOSA-N 1 2 338.367 0.886 20 30 ECEDLO C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)n1 ZINC000491652977 439419666 /nfs/dbraw/zinc/41/96/66/439419666.db2.gz BHWLIXHBJUVQNM-OAHLLOKOSA-N 1 2 341.415 0.950 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCC[C@H](OC)C2)CC1 ZINC000491658757 439421332 /nfs/dbraw/zinc/42/13/32/439421332.db2.gz WIHBKBULVWFPQS-HOTGVXAUSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@H](OC)C2)CC1 ZINC000491658757 439421338 /nfs/dbraw/zinc/42/13/38/439421338.db2.gz WIHBKBULVWFPQS-HOTGVXAUSA-N 1 2 335.448 0.475 20 30 ECEDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000599293582 439421894 /nfs/dbraw/zinc/42/18/94/439421894.db2.gz ZZSUVYXQKYPTKJ-GXTWGEPZSA-N 1 2 326.418 0.663 20 30 ECEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000599293582 439421897 /nfs/dbraw/zinc/42/18/97/439421897.db2.gz ZZSUVYXQKYPTKJ-GXTWGEPZSA-N 1 2 326.418 0.663 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2ccc(C(=O)OCC)cn2)CC1 ZINC000491662915 439421962 /nfs/dbraw/zinc/42/19/62/439421962.db2.gz QVPCTQXLJJKGGM-UHFFFAOYSA-N 1 2 344.415 0.125 20 30 ECEDLO C#CC[N@@H+](C[C@@H](O)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000491661087 439422096 /nfs/dbraw/zinc/42/20/96/439422096.db2.gz ZJOQHDXBHZQKAE-HOTGVXAUSA-N 1 2 325.405 0.851 20 30 ECEDLO C#CC[N@H+](C[C@@H](O)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000491661087 439422102 /nfs/dbraw/zinc/42/21/02/439422102.db2.gz ZJOQHDXBHZQKAE-HOTGVXAUSA-N 1 2 325.405 0.851 20 30 ECEDLO C#CCN(CC#CC)C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000491691184 439428522 /nfs/dbraw/zinc/42/85/22/439428522.db2.gz OEJOFSPAYYYZNV-MRXNPFEDSA-N 1 2 328.416 0.968 20 30 ECEDLO C#CCN(CC#CC)C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000491691184 439428526 /nfs/dbraw/zinc/42/85/26/439428526.db2.gz OEJOFSPAYYYZNV-MRXNPFEDSA-N 1 2 328.416 0.968 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000491694310 439428940 /nfs/dbraw/zinc/42/89/40/439428940.db2.gz LWIHVAWFLPQRMT-UHFFFAOYSA-N 1 2 333.344 0.760 20 30 ECEDLO C#CCNC(=O)CN1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000491734159 439437571 /nfs/dbraw/zinc/43/75/71/439437571.db2.gz NOMZPJGVDDDVFU-HNNXBMFYSA-N 1 2 331.420 0.118 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc3c(c2)CC(=O)N3C)CC1 ZINC000491751957 439441488 /nfs/dbraw/zinc/44/14/88/439441488.db2.gz VGUHJUBFZISECU-UHFFFAOYSA-N 1 2 327.384 0.362 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2cnc(OC)c(Cl)c2)CC1 ZINC000491771600 439445547 /nfs/dbraw/zinc/44/55/47/439445547.db2.gz OZXOIMHYMLJJBM-UHFFFAOYSA-N 1 2 336.823 0.611 20 30 ECEDLO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)C[C@H](C)O1 ZINC000599450416 439473988 /nfs/dbraw/zinc/47/39/88/439473988.db2.gz FRMVCKPLNCXCIM-BJJXKVORSA-N 1 2 334.372 0.560 20 30 ECEDLO COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)C[C@H](C)O1 ZINC000599450416 439473992 /nfs/dbraw/zinc/47/39/92/439473992.db2.gz FRMVCKPLNCXCIM-BJJXKVORSA-N 1 2 334.372 0.560 20 30 ECEDLO C=CC[N@@H+](C[C@H](O)COC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000533388266 439525704 /nfs/dbraw/zinc/52/57/04/439525704.db2.gz PSYKEPPOPDFEFE-QLFBSQMISA-N 1 2 333.450 0.218 20 30 ECEDLO C=CC[N@H+](C[C@H](O)COC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000533388266 439525708 /nfs/dbraw/zinc/52/57/08/439525708.db2.gz PSYKEPPOPDFEFE-QLFBSQMISA-N 1 2 333.450 0.218 20 30 ECEDLO COc1ncc(/C=C/C(=O)N(CCC#N)CC[NH+]2CCOCC2)cn1 ZINC000492684141 439559178 /nfs/dbraw/zinc/55/91/78/439559178.db2.gz UMIRSWCSTOUMQL-ONEGZZNKSA-N 1 2 345.403 0.573 20 30 ECEDLO Cc1cc[nH+]cc1N1CCN(C(=O)CNc2ccc(C#N)cn2)CC1 ZINC000546009136 439571485 /nfs/dbraw/zinc/57/14/85/439571485.db2.gz CFDAYWLRRGJHDJ-UHFFFAOYSA-N 1 2 336.399 1.417 20 30 ECEDLO CC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000609806975 439589417 /nfs/dbraw/zinc/58/94/17/439589417.db2.gz PWCUMQMKQXRIJW-SJLPKXTDSA-N 1 2 347.415 0.329 20 30 ECEDLO CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000609806975 439589421 /nfs/dbraw/zinc/58/94/21/439589421.db2.gz PWCUMQMKQXRIJW-SJLPKXTDSA-N 1 2 347.415 0.329 20 30 ECEDLO CCN1C(=O)CO[C@H](C(=O)NCC2(C#N)CCC2)[C@H]1c1[nH+]ccn1C ZINC000600016741 439596643 /nfs/dbraw/zinc/59/66/43/439596643.db2.gz DTPYGVOZRSKOAK-KBPBESRZSA-N 1 2 345.403 0.519 20 30 ECEDLO N#Cc1ccc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1F ZINC000595155202 439663815 /nfs/dbraw/zinc/66/38/15/439663815.db2.gz RQRWYUWUKORJOW-CQSZACIVSA-N 1 2 346.362 0.569 20 30 ECEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCN(C3CC3)C(=O)C2)cc1 ZINC000610497430 439621130 /nfs/dbraw/zinc/62/11/30/439621130.db2.gz QECFKECKUJBAMK-INIZCTEOSA-N 1 2 329.400 0.799 20 30 ECEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCN(C3CC3)C(=O)C2)cc1 ZINC000610497430 439621132 /nfs/dbraw/zinc/62/11/32/439621132.db2.gz QECFKECKUJBAMK-INIZCTEOSA-N 1 2 329.400 0.799 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000611670726 439716958 /nfs/dbraw/zinc/71/69/58/439716958.db2.gz KDHMELOTCNIBKO-CQSZACIVSA-N 1 2 336.417 0.532 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000611670726 439716961 /nfs/dbraw/zinc/71/69/61/439716961.db2.gz KDHMELOTCNIBKO-CQSZACIVSA-N 1 2 336.417 0.532 20 30 ECEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CCOC2CCOCC2)c1=O ZINC000600561135 439677254 /nfs/dbraw/zinc/67/72/54/439677254.db2.gz MUUDBNRPDVNFQG-UHFFFAOYSA-N 1 2 347.415 0.748 20 30 ECEDLO N#CCCN1CC[NH+](CC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000611175155 439677801 /nfs/dbraw/zinc/67/78/01/439677801.db2.gz AHEWKVAZKCLDAK-UHFFFAOYSA-N 1 2 330.388 0.563 20 30 ECEDLO C=CCn1cc(CNS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)nn1 ZINC000641543801 439838856 /nfs/dbraw/zinc/83/88/56/439838856.db2.gz ZHYNQELSNKCRCX-UHFFFAOYSA-N 1 2 347.444 0.931 20 30 ECEDLO C=CCn1cc(CNS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)nn1 ZINC000641543801 439838861 /nfs/dbraw/zinc/83/88/61/439838861.db2.gz ZHYNQELSNKCRCX-UHFFFAOYSA-N 1 2 347.444 0.931 20 30 ECEDLO C=CCOCCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000637033437 440138250 /nfs/dbraw/zinc/13/82/50/440138250.db2.gz WREFLJHSIBGCNI-INIZCTEOSA-N 1 2 327.425 0.104 20 30 ECEDLO C=CCOCCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000637033437 440138255 /nfs/dbraw/zinc/13/82/55/440138255.db2.gz WREFLJHSIBGCNI-INIZCTEOSA-N 1 2 327.425 0.104 20 30 ECEDLO C=CCCn1cc(C[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)nn1 ZINC000653572999 440208964 /nfs/dbraw/zinc/20/89/64/440208964.db2.gz MZNGJYBTOIOPJW-CYBMUJFWSA-N 1 2 327.454 0.615 20 30 ECEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)nn1 ZINC000653572999 440208971 /nfs/dbraw/zinc/20/89/71/440208971.db2.gz MZNGJYBTOIOPJW-CYBMUJFWSA-N 1 2 327.454 0.615 20 30 ECEDLO C=CCCn1cc(CN2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)nn1 ZINC000653568517 440209520 /nfs/dbraw/zinc/20/95/20/440209520.db2.gz ZAMWACSVKCTTNQ-INIZCTEOSA-N 1 2 346.479 0.983 20 30 ECEDLO C=CCn1cc(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)nn1 ZINC000648416370 440290928 /nfs/dbraw/zinc/29/09/28/440290928.db2.gz LRVPTVUIOAEWFQ-UHFFFAOYSA-N 1 2 335.408 0.075 20 30 ECEDLO CC#CCCNC(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000664704667 440359292 /nfs/dbraw/zinc/35/92/92/440359292.db2.gz ZECSHUCMHGWKCK-IBGZPJMESA-N 1 2 345.443 0.963 20 30 ECEDLO CC#CCCNC(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000664704667 440359297 /nfs/dbraw/zinc/35/92/97/440359297.db2.gz ZECSHUCMHGWKCK-IBGZPJMESA-N 1 2 345.443 0.963 20 30 ECEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccn(-c4cccc(C#N)c4)n3)C[C@H]21 ZINC000328642802 546002266 /nfs/dbraw/zinc/00/22/66/546002266.db2.gz ACVGPKKSNLMODT-SJORKVTESA-N 1 2 337.383 0.899 20 30 ECEDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccn(-c4cccc(C#N)c4)n3)C[C@H]21 ZINC000328642802 546002273 /nfs/dbraw/zinc/00/22/73/546002273.db2.gz ACVGPKKSNLMODT-SJORKVTESA-N 1 2 337.383 0.899 20 30 ECEDLO Cc1[nH]c2ccnn2c(=O)c1CC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000329200644 546016953 /nfs/dbraw/zinc/01/69/53/546016953.db2.gz WIMBIISFVFADBT-LLVKDONJSA-N 1 2 333.392 0.551 20 30 ECEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N2C[C@H](O)C[C@H]2C)nc[nH+]1 ZINC000329905752 546036330 /nfs/dbraw/zinc/03/63/30/546036330.db2.gz AXJKKCPBOUNFNC-JHJVBQTASA-N 1 2 334.424 0.856 20 30 ECEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N2C[C@H](O)C[C@H]2C)[nH+]cn1 ZINC000329905752 546036332 /nfs/dbraw/zinc/03/63/32/546036332.db2.gz AXJKKCPBOUNFNC-JHJVBQTASA-N 1 2 334.424 0.856 20 30 ECEDLO C=CCOC[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)C(=O)OC ZINC000619544380 546339558 /nfs/dbraw/zinc/33/95/58/546339558.db2.gz YARZQXPYWURSOA-JKSUJKDBSA-N 1 2 347.415 0.906 20 30 ECEDLO C=CCOC[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)C(=O)OC ZINC000619544380 546339562 /nfs/dbraw/zinc/33/95/62/546339562.db2.gz YARZQXPYWURSOA-JKSUJKDBSA-N 1 2 347.415 0.906 20 30 ECEDLO C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2[nH+]ccn2C)CC1 ZINC000667255860 547491442 /nfs/dbraw/zinc/49/14/42/547491442.db2.gz YTLYMHCEIBNPRH-ZDUSSCGKSA-N 1 2 334.424 0.111 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(C(F)(F)F)nn2C)CC1 ZINC000667491702 547525998 /nfs/dbraw/zinc/52/59/98/547525998.db2.gz CNKBSJHRIPIKOM-UHFFFAOYSA-N 1 2 345.369 0.859 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000673285169 548476777 /nfs/dbraw/zinc/47/67/77/548476777.db2.gz NEDOZKJSMSCIKN-INIZCTEOSA-N 1 2 331.416 0.950 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673285169 548476779 /nfs/dbraw/zinc/47/67/79/548476779.db2.gz NEDOZKJSMSCIKN-INIZCTEOSA-N 1 2 331.416 0.950 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CCN1CCCS1(=O)=O ZINC000674495714 548636740 /nfs/dbraw/zinc/63/67/40/548636740.db2.gz JSRVNFGJEQKUTO-CQSZACIVSA-N 1 2 331.482 0.767 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CCN1CCCS1(=O)=O ZINC000674495714 548636744 /nfs/dbraw/zinc/63/67/44/548636744.db2.gz JSRVNFGJEQKUTO-CQSZACIVSA-N 1 2 331.482 0.767 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3conc3CC)C[C@H]2O)nc1 ZINC001078030273 782174985 /nfs/dbraw/zinc/17/49/85/782174985.db2.gz QJNIWYSVEJGEID-IAGOWNOFSA-N 1 2 340.383 0.588 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3conc3CC)C[C@H]2O)nc1 ZINC001078030273 782174988 /nfs/dbraw/zinc/17/49/88/782174988.db2.gz QJNIWYSVEJGEID-IAGOWNOFSA-N 1 2 340.383 0.588 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000753023012 579393638 /nfs/dbraw/zinc/39/36/38/579393638.db2.gz PDYXJYPYZFJPSG-IRXDYDNUSA-N 1 2 340.427 0.786 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000753023012 579393639 /nfs/dbraw/zinc/39/36/39/579393639.db2.gz PDYXJYPYZFJPSG-IRXDYDNUSA-N 1 2 340.427 0.786 20 30 ECEDLO O=C1Nc2cc3c(cc2C1=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)OCCO3 ZINC000753938580 579409398 /nfs/dbraw/zinc/40/93/98/579409398.db2.gz KCHLBEIFPJQFFQ-QWRGUYRKSA-N 1 2 341.371 0.974 20 30 ECEDLO C[C@@H](CNc1cccc(S(N)(=O)=O)c1C#N)[NH+]1CCN(C)CC1 ZINC000754991736 579427355 /nfs/dbraw/zinc/42/73/55/579427355.db2.gz BTGIKYTVBAEXAK-LBPRGKRZSA-N 1 2 337.449 0.253 20 30 ECEDLO C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cn1cccc(C#N)c1=O ZINC000758241745 579469553 /nfs/dbraw/zinc/46/95/53/579469553.db2.gz LRQGOGLHVMMCNJ-UHFFFAOYSA-N 1 2 336.351 0.905 20 30 ECEDLO C[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cn1cccc(C#N)c1=O ZINC000758241745 579469554 /nfs/dbraw/zinc/46/95/54/579469554.db2.gz LRQGOGLHVMMCNJ-UHFFFAOYSA-N 1 2 336.351 0.905 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@H](CO)Oc3ccccc32)CC1 ZINC000759748133 579496870 /nfs/dbraw/zinc/49/68/70/579496870.db2.gz UZCMWMKDSRGMMB-OAHLLOKOSA-N 1 2 329.400 0.024 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000728685996 578290518 /nfs/dbraw/zinc/29/05/18/578290518.db2.gz KPGPGOBOFZAQJR-OAHLLOKOSA-N 1 2 329.400 0.193 20 30 ECEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(NN=Cc3ncc[nH]3)cc2)CC1 ZINC000731153329 578310825 /nfs/dbraw/zinc/31/08/25/578310825.db2.gz GUFRQAQLSSTCDD-UHFFFAOYSA-N 1 2 348.432 0.792 20 30 ECEDLO N#Cc1ccccc1/C=C/C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000732155412 578320459 /nfs/dbraw/zinc/32/04/59/578320459.db2.gz CITRPBPGJWXSBP-AATRIKPKSA-N 1 2 342.399 0.136 20 30 ECEDLO O=C(NCCNC(=O)C1N=CC=CC1=O)NCCNc1cccc[nH+]1 ZINC000732441524 578325298 /nfs/dbraw/zinc/32/52/98/578325298.db2.gz GFZCNSMOEHXWSN-PFONDFGASA-N 1 2 344.375 0.319 20 30 ECEDLO C#CCOc1ccccc1CNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000734134798 578353210 /nfs/dbraw/zinc/35/32/10/578353210.db2.gz YDLUICMVIOTIGC-UHFFFAOYSA-N 1 2 331.416 0.771 20 30 ECEDLO C#CCOc1ccccc1CNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000734134798 578353211 /nfs/dbraw/zinc/35/32/11/578353211.db2.gz YDLUICMVIOTIGC-UHFFFAOYSA-N 1 2 331.416 0.771 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000735382010 578383106 /nfs/dbraw/zinc/38/31/06/578383106.db2.gz UPVFJYBZUOWZPN-AWEZNQCLSA-N 1 2 328.351 0.720 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000735382010 578383107 /nfs/dbraw/zinc/38/31/07/578383107.db2.gz UPVFJYBZUOWZPN-AWEZNQCLSA-N 1 2 328.351 0.720 20 30 ECEDLO C=CCN1CC[C@H](N(C)CN2C[C@@H](c3c[nH+]cn3C)CC2=O)C1=O ZINC000799142510 578659358 /nfs/dbraw/zinc/65/93/58/578659358.db2.gz VIHYCMUKTPAIJV-KBPBESRZSA-N 1 2 331.420 0.412 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@](OC)(C(F)(F)F)C2)CC1 ZINC000781986282 578718044 /nfs/dbraw/zinc/71/80/44/578718044.db2.gz UFUWCDQVDYMQIM-OAHLLOKOSA-N 1 2 347.381 0.807 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@](OC)(C(F)(F)F)C2)CC1 ZINC000781986282 578718045 /nfs/dbraw/zinc/71/80/45/578718045.db2.gz UFUWCDQVDYMQIM-OAHLLOKOSA-N 1 2 347.381 0.807 20 30 ECEDLO COC(C[N@H+](CCCO)CC(=O)NC1(C#N)CCCCC1)OC ZINC000782176929 578721254 /nfs/dbraw/zinc/72/12/54/578721254.db2.gz QAUNNLDGARPLLU-UHFFFAOYSA-N 1 2 327.425 0.632 20 30 ECEDLO COC(C[N@@H+](CCCO)CC(=O)NC1(C#N)CCCCC1)OC ZINC000782176929 578721255 /nfs/dbraw/zinc/72/12/55/578721255.db2.gz QAUNNLDGARPLLU-UHFFFAOYSA-N 1 2 327.425 0.632 20 30 ECEDLO C#CCC1(C(=O)NCC(=O)NCC[NH+]2CCOCC2)CCCCC1 ZINC000788510391 578838542 /nfs/dbraw/zinc/83/85/42/578838542.db2.gz AIKQHTUUIUDTTQ-UHFFFAOYSA-N 1 2 335.448 0.525 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000793493350 578929516 /nfs/dbraw/zinc/92/95/16/578929516.db2.gz NBCPBEAPSOTPBR-UHFFFAOYSA-N 1 2 349.456 0.257 20 30 ECEDLO C[N@H+](CC(=O)OCC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCSC1 ZINC000772050778 579199556 /nfs/dbraw/zinc/19/95/56/579199556.db2.gz YGVJPEMFFRMWCX-DOMZBBRYSA-N 1 2 325.434 0.775 20 30 ECEDLO C[N@@H+](CC(=O)OCC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCSC1 ZINC000772050778 579199557 /nfs/dbraw/zinc/19/95/57/579199557.db2.gz YGVJPEMFFRMWCX-DOMZBBRYSA-N 1 2 325.434 0.775 20 30 ECEDLO C#C[C@H](NC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)[C@@H]1CCCO1 ZINC000773553172 579229818 /nfs/dbraw/zinc/22/98/18/579229818.db2.gz BIGCSJNZXGEFAP-BPUTZDHNSA-N 1 2 348.447 0.162 20 30 ECEDLO Cc1ccn(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c(=O)c1C#N ZINC000777568427 579300122 /nfs/dbraw/zinc/30/01/22/579300122.db2.gz ZSTJITYDGJAZFC-LLVKDONJSA-N 1 2 342.321 0.986 20 30 ECEDLO Cc1ccn(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c(=O)c1C#N ZINC000777568427 579300124 /nfs/dbraw/zinc/30/01/24/579300124.db2.gz ZSTJITYDGJAZFC-LLVKDONJSA-N 1 2 342.321 0.986 20 30 ECEDLO CC[C@H]1C[C@@H](C=NNC(=S)NCC[NH+]2CCOCC2)CCO1 ZINC000779759367 579320248 /nfs/dbraw/zinc/32/02/48/579320248.db2.gz UJMFPXPJEPLROG-KBPBESRZSA-N 1 2 328.482 0.974 20 30 ECEDLO C#CCCCC(=O)N[C@H](C(=O)NCC[NH+]1CCOCC1)[C@H](C)CC ZINC000760320636 579508349 /nfs/dbraw/zinc/50/83/49/579508349.db2.gz HOBLFEOILOGPSC-WBVHZDCISA-N 1 2 337.464 0.769 20 30 ECEDLO N#CCOc1cc(F)ccc1NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000761005609 579519223 /nfs/dbraw/zinc/51/92/23/579519223.db2.gz QNKSGMBNVCOBHW-UHFFFAOYSA-N 1 2 331.307 0.679 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000761027816 579519618 /nfs/dbraw/zinc/51/96/18/579519618.db2.gz AITUECCDJBWGTA-UHFFFAOYSA-N 1 2 341.864 0.968 20 30 ECEDLO C[S@](=O)CC[NH+]1CCN(C(=O)COc2ccccc2C#N)CC1 ZINC000741142087 579766397 /nfs/dbraw/zinc/76/63/97/579766397.db2.gz RJFFSQFZNIKAII-QHCPKHFHSA-N 1 2 335.429 0.460 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cccc3c2COC3=O)CC1 ZINC000744245221 579807955 /nfs/dbraw/zinc/80/79/55/579807955.db2.gz SOAZLRRPGIWYIT-UHFFFAOYSA-N 1 2 334.397 0.687 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)CC1 ZINC000744422249 579809376 /nfs/dbraw/zinc/80/93/76/579809376.db2.gz GFBNJMKOCLIAMP-UHFFFAOYSA-N 1 2 347.802 0.843 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CCC(=O)Nc2nnc(C3CC3)o2)CC1 ZINC000747393560 579851763 /nfs/dbraw/zinc/85/17/63/579851763.db2.gz GWQLRXBXAPJFCD-UHFFFAOYSA-N 1 2 331.376 0.443 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)OC)cc2)C1 ZINC000891606757 586181424 /nfs/dbraw/zinc/18/14/24/586181424.db2.gz OZPRGPKMXODACT-OAHLLOKOSA-N 1 2 343.383 0.626 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)OC)cc2)C1 ZINC000891606757 586181427 /nfs/dbraw/zinc/18/14/27/586181427.db2.gz OZPRGPKMXODACT-OAHLLOKOSA-N 1 2 343.383 0.626 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(OC)ccc2OC)C1 ZINC000891608821 586181757 /nfs/dbraw/zinc/18/17/57/586181757.db2.gz ZCBZEVBICHKARF-ZDUSSCGKSA-N 1 2 345.399 0.856 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(OC)ccc2OC)C1 ZINC000891608821 586181759 /nfs/dbraw/zinc/18/17/59/586181759.db2.gz ZCBZEVBICHKARF-ZDUSSCGKSA-N 1 2 345.399 0.856 20 30 ECEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N3CCC[C@@H](C#N)C3)nc2)CC1 ZINC000895653472 586196263 /nfs/dbraw/zinc/19/62/63/586196263.db2.gz WTHGRPOZGWUZNP-AWEZNQCLSA-N 1 2 349.460 0.758 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](C/C=C/c2cccc(F)c2)CC1 ZINC000895919604 586213192 /nfs/dbraw/zinc/21/31/92/586213192.db2.gz WIQZYTKMFZDXAX-GQCTYLIASA-N 1 2 337.420 0.924 20 30 ECEDLO C#Cc1ccc(C(=O)N(CC[NH+]2CCOCC2)CC(=O)OC)cc1 ZINC000896426771 586241569 /nfs/dbraw/zinc/24/15/69/586241569.db2.gz FTDSHDSGMKETRY-UHFFFAOYSA-N 1 2 330.384 0.615 20 30 ECEDLO Cc1cnc2c(C(=O)N(CCC#N)CC[NH+]3CCOCC3)cnn2c1 ZINC000896623396 586264151 /nfs/dbraw/zinc/26/41/51/586264151.db2.gz DNFYIRZSKWFPLX-UHFFFAOYSA-N 1 2 342.403 0.726 20 30 ECEDLO C#C[C@@H]1CCCCN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000892929368 586301081 /nfs/dbraw/zinc/30/10/81/586301081.db2.gz IQHYESDCXVJCRX-OAHLLOKOSA-N 1 2 341.477 0.693 20 30 ECEDLO Cc1nn(C)c(N2CCN(c3cc(N(C)C)[nH+]cn3)CC2)c1C#N ZINC000893427507 586331463 /nfs/dbraw/zinc/33/14/63/586331463.db2.gz NIQSWOZYOBLCJT-UHFFFAOYSA-N 1 2 326.408 0.783 20 30 ECEDLO Cc1nn(C)c(N2CCN(c3cc(N(C)C)nc[nH+]3)CC2)c1C#N ZINC000893427507 586331466 /nfs/dbraw/zinc/33/14/66/586331466.db2.gz NIQSWOZYOBLCJT-UHFFFAOYSA-N 1 2 326.408 0.783 20 30 ECEDLO Cn1c[nH+]c(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000898633219 586440103 /nfs/dbraw/zinc/44/01/03/586440103.db2.gz SADZBTJPJGSBRU-UHFFFAOYSA-N 1 2 325.376 0.719 20 30 ECEDLO COC(=O)Cn1cc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)nn1 ZINC000899126152 586471703 /nfs/dbraw/zinc/47/17/03/586471703.db2.gz YJMVFABCWLQNIZ-UHFFFAOYSA-N 1 2 340.387 0.903 20 30 ECEDLO COc1ccccc1[C@@H](O)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000900456278 586632540 /nfs/dbraw/zinc/63/25/40/586632540.db2.gz KRFLGCDPLDMIIF-QGZVFWFLSA-N 1 2 347.415 0.803 20 30 ECEDLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@]2(C#N)CCSC2)C1 ZINC000900463922 586633574 /nfs/dbraw/zinc/63/35/74/586633574.db2.gz IIYHONSNXJWFRJ-WFASDCNBSA-N 1 2 325.434 0.777 20 30 ECEDLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@]2(C#N)CCSC2)C1 ZINC000900463922 586633576 /nfs/dbraw/zinc/63/35/76/586633576.db2.gz IIYHONSNXJWFRJ-WFASDCNBSA-N 1 2 325.434 0.777 20 30 ECEDLO Cc1ccc(C(=O)/C=C/C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000900984300 586680800 /nfs/dbraw/zinc/68/08/00/586680800.db2.gz LXZWLCXLKKLVJT-IWAYRVGRSA-N 1 2 346.427 0.885 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=C1CC[C@@H]2COCC[C@@H]2C1 ZINC000901130781 586696907 /nfs/dbraw/zinc/69/69/07/586696907.db2.gz VVPWFBVRZCZESD-ZIAGYGMSSA-N 1 2 340.493 0.975 20 30 ECEDLO CCc1onc(C)c1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000901130784 586696971 /nfs/dbraw/zinc/69/69/71/586696971.db2.gz VWICIDJITGYUHZ-UHFFFAOYSA-N 1 2 325.438 0.676 20 30 ECEDLO C=CCN(C)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000867324932 589061568 /nfs/dbraw/zinc/06/15/68/589061568.db2.gz UCBCHDDKVJEUQY-QGZVFWFLSA-N 1 2 345.443 0.956 20 30 ECEDLO C=CCN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000867324932 589061570 /nfs/dbraw/zinc/06/15/70/589061570.db2.gz UCBCHDDKVJEUQY-QGZVFWFLSA-N 1 2 345.443 0.956 20 30 ECEDLO CCn1cc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)nn1 ZINC000902703500 586755110 /nfs/dbraw/zinc/75/51/10/586755110.db2.gz OAGYUYRPRMTOBQ-UHFFFAOYSA-N 1 2 344.419 0.967 20 30 ECEDLO Cn1ncc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000805992563 586951303 /nfs/dbraw/zinc/95/13/03/586951303.db2.gz DUUXVEXMVAFPMR-UHFFFAOYSA-N 1 2 339.403 0.714 20 30 ECEDLO C=CCN1CCN(C[NH+]2CCC(NS(=O)(=O)CC)CC2)C1=O ZINC000839964405 587017643 /nfs/dbraw/zinc/01/76/43/587017643.db2.gz QKUANASRWSPTNW-UHFFFAOYSA-N 1 2 330.454 0.271 20 30 ECEDLO C#Cc1cc(F)c(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c(F)c1 ZINC000802563390 587021932 /nfs/dbraw/zinc/02/19/32/587021932.db2.gz ILHNNROXXHUURS-UHFFFAOYSA-N 1 2 337.326 0.021 20 30 ECEDLO N#Cc1cccnc1NCCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000804144595 587080028 /nfs/dbraw/zinc/08/00/28/587080028.db2.gz CXSZRYFMCXXSLF-LBPRGKRZSA-N 1 2 325.332 0.251 20 30 ECEDLO N#Cc1cccnc1NCCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000804144595 587080030 /nfs/dbraw/zinc/08/00/30/587080030.db2.gz CXSZRYFMCXXSLF-LBPRGKRZSA-N 1 2 325.332 0.251 20 30 ECEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(C#N)cn1 ZINC000807155315 587120334 /nfs/dbraw/zinc/12/03/34/587120334.db2.gz GBCFVJILAKKBCX-XJKSGUPXSA-N 1 2 329.404 0.958 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)NCc1[nH+]ccn1CC(C)C)[C@@H]1CCCO1 ZINC000807388455 587126206 /nfs/dbraw/zinc/12/62/06/587126206.db2.gz XSLWMCBKUQJHLK-KBPBESRZSA-N 1 2 332.404 0.452 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)[C@H]1CCCO1 ZINC000809307681 587173983 /nfs/dbraw/zinc/17/39/83/587173983.db2.gz CDTZPGPLGUFODH-BFHYXJOUSA-N 1 2 330.388 0.760 20 30 ECEDLO C#Cc1ccc(C[NH+]2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 ZINC000809545794 587179609 /nfs/dbraw/zinc/17/96/09/587179609.db2.gz JCMHMBFVYBJFGQ-UHFFFAOYSA-N 1 2 349.456 0.363 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNS(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000810214197 587191923 /nfs/dbraw/zinc/19/19/23/587191923.db2.gz QZUKXHQDWIYUPY-UHFFFAOYSA-N 1 2 349.456 0.359 20 30 ECEDLO CCCC[C@@H](ON=C(C)C)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000816506426 587314793 /nfs/dbraw/zinc/31/47/93/587314793.db2.gz CEBFWDQDVVXMIZ-LSDHHAIUSA-N 1 2 329.441 0.767 20 30 ECEDLO CC(C)[C@@H](C(=O)N[C@@H]1CCCN(O)C1=O)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000816754863 587323803 /nfs/dbraw/zinc/32/38/03/587323803.db2.gz NNSPVHAQKLSVIX-SYQHCUMBSA-N 1 2 327.425 0.617 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CNC(=O)[O-])CC1 ZINC000823455513 587721554 /nfs/dbraw/zinc/72/15/54/587721554.db2.gz DGSPHQUKSRVJFA-HUUCEWRRSA-N 1 2 336.436 0.132 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CNC(=O)[O-])CC1 ZINC000823455513 587721556 /nfs/dbraw/zinc/72/15/56/587721556.db2.gz DGSPHQUKSRVJFA-HUUCEWRRSA-N 1 2 336.436 0.132 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000824604005 587882067 /nfs/dbraw/zinc/88/20/67/587882067.db2.gz KAJNBPHMHCQJDE-JSGCOSHPSA-N 1 2 341.371 0.913 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](C)[C@@H]2CCCO2)CC1 ZINC000826550809 588069634 /nfs/dbraw/zinc/06/96/34/588069634.db2.gz WLZPEHMFNKHDJJ-CVEARBPZSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](C)[C@@H]2CCCO2)CC1 ZINC000826550809 588069636 /nfs/dbraw/zinc/06/96/36/588069636.db2.gz WLZPEHMFNKHDJJ-CVEARBPZSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000830820716 588387796 /nfs/dbraw/zinc/38/77/96/588387796.db2.gz GXVITPKCFVKOTE-SMDDNHRTSA-N 1 2 331.338 0.754 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000830820716 588387797 /nfs/dbraw/zinc/38/77/97/588387797.db2.gz GXVITPKCFVKOTE-SMDDNHRTSA-N 1 2 331.338 0.754 20 30 ECEDLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000844391829 589110115 /nfs/dbraw/zinc/11/01/15/589110115.db2.gz DFVLJXCSHOLHRU-QWHCGFSZSA-N 1 2 328.372 0.502 20 30 ECEDLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000844391829 589110116 /nfs/dbraw/zinc/11/01/16/589110116.db2.gz DFVLJXCSHOLHRU-QWHCGFSZSA-N 1 2 328.372 0.502 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(C)[C@@H](CC)C(=O)OC(C)(C)C)CC1 ZINC000844475415 589111991 /nfs/dbraw/zinc/11/19/91/589111991.db2.gz VCDQVQDYHNQWHI-HNNXBMFYSA-N 1 2 337.464 0.816 20 30 ECEDLO C=C[C@@H](C)ONC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000845638979 589166156 /nfs/dbraw/zinc/16/61/56/589166156.db2.gz MALJFZMWNSGCLH-LLVKDONJSA-N 1 2 331.380 0.701 20 30 ECEDLO NC(=O)c1cc2c([nH]c1=O)CCCC2=NNCCCn1cc[nH+]c1 ZINC000848417366 589292812 /nfs/dbraw/zinc/29/28/12/589292812.db2.gz WYNZMAKDKCKFOR-UHFFFAOYSA-N 1 2 328.376 0.803 20 30 ECEDLO C=CCCn1cc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)nn1 ZINC000850365580 589365358 /nfs/dbraw/zinc/36/53/58/589365358.db2.gz KWJQIIVBXLSKJV-UHFFFAOYSA-N 1 2 326.344 0.921 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)C[C@]2(OC(C)C)CCOC2)CC1 ZINC000851757335 589420894 /nfs/dbraw/zinc/42/08/94/589420894.db2.gz TYZPMGHCNINBGS-INIZCTEOSA-N 1 2 344.477 0.541 20 30 ECEDLO C=CC[N@@H+](CCn1cnc(Br)n1)[C@H]1CCS(=O)(=O)C1 ZINC000851841671 589427783 /nfs/dbraw/zinc/42/77/83/589427783.db2.gz WJBVDQRBOXDVNN-JTQLQIEISA-N 1 2 349.254 0.716 20 30 ECEDLO C=CC[N@H+](CCn1cnc(Br)n1)[C@H]1CCS(=O)(=O)C1 ZINC000851841671 589427784 /nfs/dbraw/zinc/42/77/84/589427784.db2.gz WJBVDQRBOXDVNN-JTQLQIEISA-N 1 2 349.254 0.716 20 30 ECEDLO C#CCN1CCN(C(=O)C[NH2+]C(C)(C)c2nc(C)cc(=O)[nH]2)CC1 ZINC000852146611 589446312 /nfs/dbraw/zinc/44/63/12/589446312.db2.gz GIEDKEIESKGUNO-UHFFFAOYSA-N 1 2 331.420 0.093 20 30 ECEDLO C#CCOCCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000852251333 589452929 /nfs/dbraw/zinc/45/29/29/589452929.db2.gz NGINQAHYVDPVIA-GOSISDBHSA-N 1 2 344.459 0.752 20 30 ECEDLO C#CCOCCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000852251333 589452930 /nfs/dbraw/zinc/45/29/30/589452930.db2.gz NGINQAHYVDPVIA-GOSISDBHSA-N 1 2 344.459 0.752 20 30 ECEDLO C#C[C@H](NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)C1CCOCC1 ZINC000852642179 589504302 /nfs/dbraw/zinc/50/43/02/589504302.db2.gz XVEUIVCEWJTWIC-XIRDDKMYSA-N 1 2 335.448 0.919 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@@H](C)O[C@](C)(C(F)F)C2)CC1 ZINC000852779469 589511685 /nfs/dbraw/zinc/51/16/85/589511685.db2.gz GKHTYFARJGZYIB-CJNGLKHVSA-N 1 2 329.391 0.508 20 30 ECEDLO CCn1ncnc1CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000853658423 589553961 /nfs/dbraw/zinc/55/39/61/589553961.db2.gz PTDUDXFPZAVUIU-UHFFFAOYSA-N 1 2 344.419 0.967 20 30 ECEDLO N#Cc1c(F)cccc1S(=O)(=O)NCCC[NH+]1CCOCC1 ZINC000113769381 589648256 /nfs/dbraw/zinc/64/82/56/589648256.db2.gz SDDZDMHODOVEGK-UHFFFAOYSA-N 1 2 327.381 0.698 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc([C@@H]2CC(=O)NC(=O)N2)cc1 ZINC000856149513 589655866 /nfs/dbraw/zinc/65/58/66/589655866.db2.gz CJONXQHVGSVPAO-GJZGRUSLSA-N 1 2 340.383 0.993 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc([C@@H]2CC(=O)NC(=O)N2)cc1 ZINC000856149513 589655868 /nfs/dbraw/zinc/65/58/68/589655868.db2.gz CJONXQHVGSVPAO-GJZGRUSLSA-N 1 2 340.383 0.993 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856542459 589667060 /nfs/dbraw/zinc/66/70/60/589667060.db2.gz ZLCKYVLGKYMKFB-JKSUJKDBSA-N 1 2 343.431 0.599 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856542459 589667062 /nfs/dbraw/zinc/66/70/62/589667062.db2.gz ZLCKYVLGKYMKFB-JKSUJKDBSA-N 1 2 343.431 0.599 20 30 ECEDLO C#CCOCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000858356939 589743636 /nfs/dbraw/zinc/74/36/36/589743636.db2.gz IXALZXIUGJSRRB-MRXNPFEDSA-N 1 2 332.404 0.231 20 30 ECEDLO C#CCOCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000858356939 589743637 /nfs/dbraw/zinc/74/36/37/589743637.db2.gz IXALZXIUGJSRRB-MRXNPFEDSA-N 1 2 332.404 0.231 20 30 ECEDLO Cn1cc[nH+]c1CNc1ccc(C(=O)OCC(=O)NCC#N)cc1 ZINC000860097024 589744836 /nfs/dbraw/zinc/74/48/36/589744836.db2.gz OJTORVYEXXQDEX-UHFFFAOYSA-N 1 2 327.344 0.829 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000859028489 589794129 /nfs/dbraw/zinc/79/41/29/589794129.db2.gz UDOITPCKFYRXTO-HNNXBMFYSA-N 1 2 332.404 0.756 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c1 ZINC000862643456 589953060 /nfs/dbraw/zinc/95/30/60/589953060.db2.gz TVLZBNMAYKVIIZ-SFHVURJKSA-N 1 2 329.400 0.409 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c1 ZINC000862643456 589953063 /nfs/dbraw/zinc/95/30/63/589953063.db2.gz TVLZBNMAYKVIIZ-SFHVURJKSA-N 1 2 329.400 0.409 20 30 ECEDLO C=CCC1(C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000870058669 589992399 /nfs/dbraw/zinc/99/23/99/589992399.db2.gz USYQHXVTZNVVBH-INIZCTEOSA-N 1 2 338.448 0.919 20 30 ECEDLO C=CCC1(C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000870058670 589992468 /nfs/dbraw/zinc/99/24/68/589992468.db2.gz USYQHXVTZNVVBH-MRXNPFEDSA-N 1 2 338.448 0.919 20 30 ECEDLO Cn1ncc2cc(C=NNC(=S)NCC[NH+]3CCOCC3)cnc21 ZINC000872329133 590114608 /nfs/dbraw/zinc/11/46/08/590114608.db2.gz KNFCBAXELBMLJL-UHFFFAOYSA-N 1 2 347.448 0.099 20 30 ECEDLO N#Cc1cc2c([nH]c1=O)CCN(C(=S)NCC[NH+]1CCOCC1)C2 ZINC000865251077 590135505 /nfs/dbraw/zinc/13/55/05/590135505.db2.gz NZYSQQVOUQCEAO-UHFFFAOYSA-N 1 2 347.444 0.224 20 30 ECEDLO CN1C(=O)[C@H]2C[N@H+](Cn3cc4c(c(C#N)c3=O)CCCC4)C[C@H]2C1=O ZINC000872713133 590143931 /nfs/dbraw/zinc/14/39/31/590143931.db2.gz KSKUVWAPMPTFAI-GASCZTMLSA-N 1 2 340.383 0.103 20 30 ECEDLO CN1C(=O)[C@H]2C[N@@H+](Cn3cc4c(c(C#N)c3=O)CCCC4)C[C@H]2C1=O ZINC000872713133 590143934 /nfs/dbraw/zinc/14/39/34/590143934.db2.gz KSKUVWAPMPTFAI-GASCZTMLSA-N 1 2 340.383 0.103 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](CN3CC4(COC4)CC3=O)CC2)cc1 ZINC000872728707 590145204 /nfs/dbraw/zinc/14/52/04/590145204.db2.gz WBNMOWFTCHWEPX-UHFFFAOYSA-N 1 2 326.400 0.887 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2cc(C(=O)OC(C)(C)C)nn2C)CC1 ZINC000865795291 590157658 /nfs/dbraw/zinc/15/76/58/590157658.db2.gz OAPUXRMYQCXEKV-UHFFFAOYSA-N 1 2 332.404 0.766 20 30 ECEDLO Cc1cc(F)c(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000873701627 590196584 /nfs/dbraw/zinc/19/65/84/590196584.db2.gz RWPZKXIPYHRXTA-GFCCVEGCSA-N 1 2 348.378 0.781 20 30 ECEDLO Cc1cc(F)c(C#N)cc1NC(=O)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000873701627 590196585 /nfs/dbraw/zinc/19/65/85/590196585.db2.gz RWPZKXIPYHRXTA-GFCCVEGCSA-N 1 2 348.378 0.781 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000875142523 590275282 /nfs/dbraw/zinc/27/52/82/590275282.db2.gz MHQIQOQIKKRKGA-CQSZACIVSA-N 1 2 347.415 0.868 20 30 ECEDLO CN1CCN(C(=O)C(=O)NCC(C)(C)CC#N)Cc2ccc[nH+]c21 ZINC000875406241 590299985 /nfs/dbraw/zinc/29/99/85/590299985.db2.gz RJDADXCPPWTNAE-UHFFFAOYSA-N 1 2 329.404 0.916 20 30 ECEDLO C#CCOCCNC(=O)N1Cc2ccc[nH+]c2N2C[C@@H](OC)C[C@@H]2C1 ZINC000875485285 590304971 /nfs/dbraw/zinc/30/49/71/590304971.db2.gz HXIJXEWTXSDART-CVEARBPZSA-N 1 2 344.415 0.850 20 30 ECEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(CO)(CO)CC2)C1=O ZINC000879970696 590356859 /nfs/dbraw/zinc/35/68/59/590356859.db2.gz YCVPVSYZPNDSSM-ZDUSSCGKSA-N 1 2 335.429 0.792 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000880014496 590360691 /nfs/dbraw/zinc/36/06/91/590360691.db2.gz CDBHANKYPBLLRN-GASCZTMLSA-N 1 2 327.450 0.505 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000880014496 590360692 /nfs/dbraw/zinc/36/06/92/590360692.db2.gz CDBHANKYPBLLRN-GASCZTMLSA-N 1 2 327.450 0.505 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)CC1 ZINC000128177209 590366013 /nfs/dbraw/zinc/36/60/13/590366013.db2.gz MWLYFKCFEULKAB-UHFFFAOYSA-N 1 2 338.411 0.942 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNC(=O)NCc2ccc(F)cc2)CC1 ZINC000128415734 590392902 /nfs/dbraw/zinc/39/29/02/590392902.db2.gz ZSQBHYAMIZHXES-UHFFFAOYSA-N 1 2 332.379 0.402 20 30 ECEDLO CCS(=O)(=O)CC[N@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000128636167 590419119 /nfs/dbraw/zinc/41/91/19/590419119.db2.gz GLSDWAUEGDRRPL-HNNXBMFYSA-N 1 2 340.445 0.859 20 30 ECEDLO CCS(=O)(=O)CC[N@@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000128636167 590419121 /nfs/dbraw/zinc/41/91/21/590419121.db2.gz GLSDWAUEGDRRPL-HNNXBMFYSA-N 1 2 340.445 0.859 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC2=NS(=O)(=O)c3ccccc32)nn1 ZINC000881371227 590449615 /nfs/dbraw/zinc/44/96/15/590449615.db2.gz NHRJUXUVSKCYOH-UHFFFAOYSA-N 1 2 329.385 0.583 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000881873904 590484103 /nfs/dbraw/zinc/48/41/03/590484103.db2.gz PZFIIRMOMBCTHY-ZDUSSCGKSA-N 1 2 341.477 0.451 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000881873904 590484105 /nfs/dbraw/zinc/48/41/05/590484105.db2.gz PZFIIRMOMBCTHY-ZDUSSCGKSA-N 1 2 341.477 0.451 20 30 ECEDLO N#CCC[N@H+](CCN1CCOCC1)C[C@H](O)CC1(CO)CCCC1 ZINC000878159334 590502300 /nfs/dbraw/zinc/50/23/00/590502300.db2.gz IMSPHTLOZFIEJI-QGZVFWFLSA-N 1 2 339.480 0.838 20 30 ECEDLO N#CCC[N@@H+](CCN1CCOCC1)C[C@H](O)CC1(CO)CCCC1 ZINC000878159334 590502303 /nfs/dbraw/zinc/50/23/03/590502303.db2.gz IMSPHTLOZFIEJI-QGZVFWFLSA-N 1 2 339.480 0.838 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@H](O)CC1(CO)CCCC1 ZINC000878159334 590502306 /nfs/dbraw/zinc/50/23/06/590502306.db2.gz IMSPHTLOZFIEJI-QGZVFWFLSA-N 1 2 339.480 0.838 20 30 ECEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000878274979 590512104 /nfs/dbraw/zinc/51/21/04/590512104.db2.gz XXCBSJWQVUBLJG-STQMWFEESA-N 1 2 330.392 0.753 20 30 ECEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000878274979 590512105 /nfs/dbraw/zinc/51/21/05/590512105.db2.gz XXCBSJWQVUBLJG-STQMWFEESA-N 1 2 330.392 0.753 20 30 ECEDLO Cc1nc(C#N)cc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1 ZINC000882080486 590514439 /nfs/dbraw/zinc/51/44/39/590514439.db2.gz NZFTYURSJLMOGC-CYBMUJFWSA-N 1 2 328.420 0.790 20 30 ECEDLO N#Cc1ccc(N2CCN(S(=O)(=O)CCn3cc[nH+]c3)CC2)cn1 ZINC000882161053 590522561 /nfs/dbraw/zinc/52/25/61/590522561.db2.gz ADXZTZUOYOJYSX-UHFFFAOYSA-N 1 2 346.416 0.302 20 30 ECEDLO C#CC[C@@H](NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2)C(=O)OC ZINC000882252450 590532345 /nfs/dbraw/zinc/53/23/45/590532345.db2.gz PXZPGUAEHINKMT-CQSZACIVSA-N 1 2 336.413 0.518 20 30 ECEDLO C#CC[C@@H](NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2)C(=O)OC ZINC000882252450 590532346 /nfs/dbraw/zinc/53/23/46/590532346.db2.gz PXZPGUAEHINKMT-CQSZACIVSA-N 1 2 336.413 0.518 20 30 ECEDLO C#CCN(CC(=O)N1CC[NH+](Cc2ccco2)CC1)C1CSC1 ZINC000878911453 590551012 /nfs/dbraw/zinc/55/10/12/590551012.db2.gz MOYMSCGGEBPOIH-UHFFFAOYSA-N 1 2 333.457 0.974 20 30 ECEDLO C#CC[N@@H+](CC(=O)N1CCN(Cc2ccco2)CC1)C1CSC1 ZINC000878911453 590551014 /nfs/dbraw/zinc/55/10/14/590551014.db2.gz MOYMSCGGEBPOIH-UHFFFAOYSA-N 1 2 333.457 0.974 20 30 ECEDLO C#CC[N@H+](CC(=O)N1CCN(Cc2ccco2)CC1)C1CSC1 ZINC000878911453 590551017 /nfs/dbraw/zinc/55/10/17/590551017.db2.gz MOYMSCGGEBPOIH-UHFFFAOYSA-N 1 2 333.457 0.974 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000884054033 590722278 /nfs/dbraw/zinc/72/22/78/590722278.db2.gz OJNYUUJSAUAIGS-HNNXBMFYSA-N 1 2 345.399 0.418 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)OC)C1 ZINC000885511571 590729918 /nfs/dbraw/zinc/72/99/18/590729918.db2.gz JYJDTXRYZURPBC-RRFJBIMHSA-N 1 2 342.461 0.735 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)OC)C1 ZINC000885511571 590729920 /nfs/dbraw/zinc/72/99/20/590729920.db2.gz JYJDTXRYZURPBC-RRFJBIMHSA-N 1 2 342.461 0.735 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cc(C(=O)OC)oc2C)C1 ZINC000885511272 590730212 /nfs/dbraw/zinc/73/02/12/590730212.db2.gz DRXMFPMCJBGNKB-LBPRGKRZSA-N 1 2 340.401 0.751 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(C(=O)OC)oc2C)C1 ZINC000885511272 590730215 /nfs/dbraw/zinc/73/02/15/590730215.db2.gz DRXMFPMCJBGNKB-LBPRGKRZSA-N 1 2 340.401 0.751 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(C(=O)C(CC)CC)CC1 ZINC000884081902 590736106 /nfs/dbraw/zinc/73/61/06/590736106.db2.gz NGRUALHSXLULRN-AWEZNQCLSA-N 1 2 339.436 0.540 20 30 ECEDLO CC(C)NC(=O)C(=O)N1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000885928886 590781956 /nfs/dbraw/zinc/78/19/56/590781956.db2.gz HGCVIMLHVXZUQA-CQSZACIVSA-N 1 2 336.436 0.100 20 30 ECEDLO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCC2)[C@H](C(=O)OC)C1 ZINC000886120306 590797780 /nfs/dbraw/zinc/79/77/80/590797780.db2.gz AXXGGDUYOZJAET-MCIONIFRSA-N 1 2 338.404 0.858 20 30 ECEDLO COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CCC2)[C@H](C(=O)OC)C1 ZINC000886120306 590797781 /nfs/dbraw/zinc/79/77/81/590797781.db2.gz AXXGGDUYOZJAET-MCIONIFRSA-N 1 2 338.404 0.858 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000884330729 590808146 /nfs/dbraw/zinc/80/81/46/590808146.db2.gz VNYYDFGUBWGDFZ-MNOVXSKESA-N 1 2 337.342 0.528 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCn3nncc3C2)CC1 ZINC000886462939 590851704 /nfs/dbraw/zinc/85/17/04/590851704.db2.gz JYUHIWFXZUJVDV-INIZCTEOSA-N 1 2 345.451 0.176 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCCn3nncc3C2)CC1 ZINC000886462939 590851707 /nfs/dbraw/zinc/85/17/07/590851707.db2.gz JYUHIWFXZUJVDV-INIZCTEOSA-N 1 2 345.451 0.176 20 30 ECEDLO COCCOCC[NH+]1CCN(C(=O)Nc2ccc(C#N)cn2)CC1 ZINC000889239517 591046072 /nfs/dbraw/zinc/04/60/72/591046072.db2.gz TZVSDBZSVIPZGX-UHFFFAOYSA-N 1 2 333.392 0.766 20 30 ECEDLO C#CCN(C)c1cnc(-c2noc([C@@H]3C[N@@H+](C)C[C@H](C)O3)n2)cn1 ZINC000924060032 611384262 /nfs/dbraw/zinc/38/42/62/611384262.db2.gz ASWVLOYMZKDWBJ-AAEUAGOBSA-N 1 2 328.376 0.988 20 30 ECEDLO C#CCN(C)c1cnc(-c2noc([C@@H]3C[N@H+](C)C[C@H](C)O3)n2)cn1 ZINC000924060032 611384267 /nfs/dbraw/zinc/38/42/67/611384267.db2.gz ASWVLOYMZKDWBJ-AAEUAGOBSA-N 1 2 328.376 0.988 20 30 ECEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@@H](O)C3(O)CCOCC3)CCO2)c1 ZINC000930133610 611394337 /nfs/dbraw/zinc/39/43/37/611394337.db2.gz ANHFGHHTOJXJLN-IAGOWNOFSA-N 1 2 332.400 0.834 20 30 ECEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@@H](O)C3(O)CCOCC3)CCO2)c1 ZINC000930133610 611394341 /nfs/dbraw/zinc/39/43/41/611394341.db2.gz ANHFGHHTOJXJLN-IAGOWNOFSA-N 1 2 332.400 0.834 20 30 ECEDLO C=C(Br)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000930792977 611463979 /nfs/dbraw/zinc/46/39/79/611463979.db2.gz HLLNLEXEMUWDRH-NEPJUHHUSA-N 1 2 333.226 0.891 20 30 ECEDLO C#CC1(O)CC[NH+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)CC1 ZINC000931147687 611510982 /nfs/dbraw/zinc/51/09/82/611510982.db2.gz YHUWUUJRYUYUMJ-UHFFFAOYSA-N 1 2 329.400 0.787 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCC[N@H+](Cc2nnnn2C)CC1 ZINC000948307035 611512485 /nfs/dbraw/zinc/51/24/85/611512485.db2.gz UQNNOFJPSQKDFK-ZDUSSCGKSA-N 1 2 342.407 0.537 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCC[N@@H+](Cc2nnnn2C)CC1 ZINC000948307035 611512487 /nfs/dbraw/zinc/51/24/87/611512487.db2.gz UQNNOFJPSQKDFK-ZDUSSCGKSA-N 1 2 342.407 0.537 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC000932038954 611594980 /nfs/dbraw/zinc/59/49/80/611594980.db2.gz PGHGSYDRSHPBPK-IAGOWNOFSA-N 1 2 347.459 0.618 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC000932038954 611594982 /nfs/dbraw/zinc/59/49/82/611594982.db2.gz PGHGSYDRSHPBPK-IAGOWNOFSA-N 1 2 347.459 0.618 20 30 ECEDLO C#CC[C@@H]1NC(=O)N(CC2([NH+]3CCOCC3)CC(OCC)C2)C1=O ZINC000927687588 611627469 /nfs/dbraw/zinc/62/74/69/611627469.db2.gz NCPRQADQOYCVOQ-UUCFBXCCSA-N 1 2 335.404 0.200 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2cccc3[nH]c(=O)[nH]c32)CC1 ZINC000932515425 611636490 /nfs/dbraw/zinc/63/64/90/611636490.db2.gz BGWUVTZYTANMQS-LBPRGKRZSA-N 1 2 327.388 0.528 20 30 ECEDLO CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000937177618 609023336 /nfs/dbraw/zinc/02/33/36/609023336.db2.gz JHQCNIHUGQYZSV-ZDUSSCGKSA-N 1 2 340.387 0.535 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)C2CCS(=O)(=O)CC2)C[C@H]1C ZINC000947761909 611680438 /nfs/dbraw/zinc/68/04/38/611680438.db2.gz SALMAFDILQXXBM-UKRRQHHQSA-N 1 2 326.462 0.804 20 30 ECEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)C2CCS(=O)(=O)CC2)C[C@H]1C ZINC000947761909 611680440 /nfs/dbraw/zinc/68/04/40/611680440.db2.gz SALMAFDILQXXBM-UKRRQHHQSA-N 1 2 326.462 0.804 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000937852298 609356017 /nfs/dbraw/zinc/35/60/17/609356017.db2.gz BRORSRCZCFIRIQ-ZDUSSCGKSA-N 1 2 340.387 0.583 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1CCN(C(=O)C#CC3CC3)C1)C2 ZINC000938173423 609487392 /nfs/dbraw/zinc/48/73/92/609487392.db2.gz OGEMFGBSWIDJNA-GJZGRUSLSA-N 1 2 340.427 0.954 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1CCN(C(=O)C#CC3CC3)C1)CC2 ZINC000938173423 609487393 /nfs/dbraw/zinc/48/73/93/609487393.db2.gz OGEMFGBSWIDJNA-GJZGRUSLSA-N 1 2 340.427 0.954 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000938192986 609512495 /nfs/dbraw/zinc/51/24/95/609512495.db2.gz FPGYTMLAUHWRNU-KRWDZBQOSA-N 1 2 336.395 0.824 20 30 ECEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)C[C@H]3CCNC3=O)CC2)c1 ZINC000948730921 611705245 /nfs/dbraw/zinc/70/52/45/611705245.db2.gz WOJHLQXBYZNQPT-MRXNPFEDSA-N 1 2 326.400 0.729 20 30 ECEDLO Cn1cc([C@@H]2CN(C(=O)COc3ccc(C#N)cc3)CC[NH2+]2)cn1 ZINC000913474671 609678886 /nfs/dbraw/zinc/67/88/86/609678886.db2.gz FMZMPRHJPANMDK-INIZCTEOSA-N 1 2 325.372 0.844 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000921093884 609698027 /nfs/dbraw/zinc/69/80/27/609698027.db2.gz UCBOHHYEMWKKIB-SNVBAGLBSA-N 1 2 331.467 0.631 20 30 ECEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc(C(=O)OC)s2)CC1 ZINC000921440322 609717022 /nfs/dbraw/zinc/71/70/22/609717022.db2.gz YDDCIYWRETUGLB-UHFFFAOYSA-N 1 2 342.442 0.911 20 30 ECEDLO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)Cc2csc(C#N)c2)CC1 ZINC000914325767 609876823 /nfs/dbraw/zinc/87/68/23/609876823.db2.gz RVUYGJKHMXFZAJ-ZDUSSCGKSA-N 1 2 343.474 0.838 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000938597712 609889951 /nfs/dbraw/zinc/88/99/51/609889951.db2.gz VOKCVMFSTYRWOA-ZQIUZPCESA-N 1 2 346.431 0.993 20 30 ECEDLO N#CCCc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000917066679 609960905 /nfs/dbraw/zinc/96/09/05/609960905.db2.gz OPCRYSJSGOHSIX-MRXNPFEDSA-N 1 2 348.472 0.811 20 30 ECEDLO N#CCCc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000917066679 609960907 /nfs/dbraw/zinc/96/09/07/609960907.db2.gz OPCRYSJSGOHSIX-MRXNPFEDSA-N 1 2 348.472 0.811 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000938778603 609993504 /nfs/dbraw/zinc/99/35/04/609993504.db2.gz OBZVVQAVJNZIRB-ZDUSSCGKSA-N 1 2 326.360 0.456 20 30 ECEDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Cc2ccc(C#N)cc2)CC1 ZINC000068507809 609999428 /nfs/dbraw/zinc/99/94/28/609999428.db2.gz DZNCKDDKFBHHSI-UHFFFAOYSA-N 1 2 349.456 0.726 20 30 ECEDLO C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(C)no3)C2)nn1 ZINC000939291606 610148576 /nfs/dbraw/zinc/14/85/76/610148576.db2.gz GXWWBAKEKSUBLR-DGCLKSJQSA-N 1 2 345.407 0.796 20 30 ECEDLO C=CCCn1cc(C(=O)N2C[C@H]([NH2+]Cc3cnsn3)[C@@H](C)C2)nn1 ZINC000939292701 610149198 /nfs/dbraw/zinc/14/91/98/610149198.db2.gz MNXKNWYCRJBAOC-AAEUAGOBSA-N 1 2 347.448 0.956 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)c1 ZINC000939934272 610171149 /nfs/dbraw/zinc/17/11/49/610171149.db2.gz MZKBZNSZFHPECO-CYBMUJFWSA-N 1 2 326.360 0.504 20 30 ECEDLO CC(C)CNC(=O)CON=C(N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181836315 610176762 /nfs/dbraw/zinc/17/67/62/610176762.db2.gz YQZDQUULEPMAAB-MRXNPFEDSA-N 1 2 348.447 0.948 20 30 ECEDLO CC(C)CNC(=O)CON=C(N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181836315 610176764 /nfs/dbraw/zinc/17/67/64/610176764.db2.gz YQZDQUULEPMAAB-MRXNPFEDSA-N 1 2 348.447 0.948 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccc4c3OCCO4)CC2)C1 ZINC000941431232 610312254 /nfs/dbraw/zinc/31/22/54/610312254.db2.gz LADPVTSXPWYBNG-UHFFFAOYSA-N 1 2 341.411 0.533 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ncc(F)cc3F)CC2)C1 ZINC000941459865 610320100 /nfs/dbraw/zinc/32/01/00/610320100.db2.gz IGWRSRADCINDAI-UHFFFAOYSA-N 1 2 334.370 0.825 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cn3cc(C4CC4)cn3)CC2)C1 ZINC000941462453 610321096 /nfs/dbraw/zinc/32/10/96/610321096.db2.gz AGIQWBRMFVTMBI-UHFFFAOYSA-N 1 2 341.459 0.612 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnc4n3CCCCC4)CC2)C1 ZINC000941450682 610324881 /nfs/dbraw/zinc/32/48/81/610324881.db2.gz DFHPXMMUEYGFQC-UHFFFAOYSA-N 1 2 341.459 0.685 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCc3ccncc3)CC2)C1 ZINC000941470294 610329359 /nfs/dbraw/zinc/32/93/59/610329359.db2.gz AZTGEOJGIHXCOJ-UHFFFAOYSA-N 1 2 326.444 0.866 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccn4ccnc4c3)CC2)C1 ZINC000941485517 610337705 /nfs/dbraw/zinc/33/77/05/610337705.db2.gz UOGOFKARWMRCJR-UHFFFAOYSA-N 1 2 337.427 0.800 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3cc(CC)nn3C)CC2)C1 ZINC000941499328 610344255 /nfs/dbraw/zinc/34/42/55/610344255.db2.gz SJSSTZIVCNJMCA-UHFFFAOYSA-N 1 2 343.475 0.377 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3occ4c3CCOC4)CC2)C1 ZINC000941502286 610345652 /nfs/dbraw/zinc/34/56/52/610345652.db2.gz OHXNYAIUQZGBQL-UHFFFAOYSA-N 1 2 329.400 0.428 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c(C)nn(C)c3Cl)CC2)C1 ZINC000941504454 610347094 /nfs/dbraw/zinc/34/70/94/610347094.db2.gz AOMNHOZIPQNJJK-UHFFFAOYSA-N 1 2 335.839 0.457 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCN(C2C[NH+]([C@@H](C)C(=O)N(C)C)C2)CC1 ZINC000941516047 610353719 /nfs/dbraw/zinc/35/37/19/610353719.db2.gz JMVSPHJBYDFKQV-AWEZNQCLSA-N 1 2 336.480 0.504 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CCN(C2C[NH+]([C@H]3CCCNC3=O)C2)CC1 ZINC000941550824 610373215 /nfs/dbraw/zinc/37/32/15/610373215.db2.gz RZVFWBAEJPSKGS-LPHOPBHVSA-N 1 2 348.491 0.696 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCc3cn(C)nc3C)CC2)C1 ZINC000941593870 610389153 /nfs/dbraw/zinc/38/91/53/610389153.db2.gz VWCHTBVLSVQUBH-UHFFFAOYSA-N 1 2 329.448 0.123 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCc3nc(C4CC4)no3)CC2)C1 ZINC000941596263 610390485 /nfs/dbraw/zinc/39/04/85/610390485.db2.gz ZECQXOXMCKPQRR-UHFFFAOYSA-N 1 2 343.431 0.341 20 30 ECEDLO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H](C)Cc3c[nH]cn3)CC2)C1 ZINC000941599963 610400725 /nfs/dbraw/zinc/40/07/25/610400725.db2.gz OLXNSCACZWQEEP-HNNXBMFYSA-N 1 2 331.464 0.993 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3sccc3COC)CC2)C1 ZINC000941638449 610423685 /nfs/dbraw/zinc/42/36/85/610423685.db2.gz DGTBXQFVMKGSTL-UHFFFAOYSA-N 1 2 333.457 0.970 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](Cc3ccccc3)OC)CC2)C1 ZINC000941672578 610445929 /nfs/dbraw/zinc/44/59/29/610445929.db2.gz WXAZLKMIJGZEEO-IBGZPJMESA-N 1 2 341.455 0.706 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c(C)nn4cccnc34)CC2)C1 ZINC000941668226 610458800 /nfs/dbraw/zinc/45/88/00/610458800.db2.gz IHTGQYVWOZUUBE-UHFFFAOYSA-N 1 2 338.415 0.113 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)C1 ZINC000942603321 610534612 /nfs/dbraw/zinc/53/46/12/610534612.db2.gz VOOLDHXPVFHYMB-CHWSQXEVSA-N 1 2 333.436 0.791 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)C1 ZINC000942603321 610534614 /nfs/dbraw/zinc/53/46/14/610534614.db2.gz VOOLDHXPVFHYMB-CHWSQXEVSA-N 1 2 333.436 0.791 20 30 ECEDLO Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)[nH]1 ZINC000941929032 610567127 /nfs/dbraw/zinc/56/71/27/610567127.db2.gz IJHDYULQTKSWPF-MFKMUULPSA-N 1 2 327.392 0.953 20 30 ECEDLO Cc1nnc(C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)[nH]1 ZINC000941929032 610567130 /nfs/dbraw/zinc/56/71/30/610567130.db2.gz IJHDYULQTKSWPF-MFKMUULPSA-N 1 2 327.392 0.953 20 30 ECEDLO C[C@H]1C[N@H+](Cc2nncn2C)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966590 610588269 /nfs/dbraw/zinc/58/82/69/610588269.db2.gz MNWYUACACJOMBR-AAEUAGOBSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@H]1C[N@@H+](Cc2nncn2C)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966590 610588270 /nfs/dbraw/zinc/58/82/70/610588270.db2.gz MNWYUACACJOMBR-AAEUAGOBSA-N 1 2 327.392 0.655 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000941228514 610611374 /nfs/dbraw/zinc/61/13/74/610611374.db2.gz LODOIVQGHCUBBN-LSDHHAIUSA-N 1 2 326.400 0.576 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000942987931 610706947 /nfs/dbraw/zinc/70/69/47/610706947.db2.gz XZIIVHDGHFRXIQ-KFWWJZLASA-N 1 2 346.431 0.993 20 30 ECEDLO Cn1c[nH+]cc1CN1CC(N2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC000941404267 610720957 /nfs/dbraw/zinc/72/09/57/610720957.db2.gz WWOCFMBZFOTDRD-UHFFFAOYSA-N 1 2 327.432 0.162 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nncn3C)C[C@H]2C)nc1 ZINC000944191678 610775532 /nfs/dbraw/zinc/77/55/32/610775532.db2.gz DGASRJPVZXJQPZ-UKRRQHHQSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3nncn3C)C[C@H]2C)nc1 ZINC000944191678 610775534 /nfs/dbraw/zinc/77/55/34/610775534.db2.gz DGASRJPVZXJQPZ-UKRRQHHQSA-N 1 2 338.415 0.832 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CCCN2C(=O)Cc2[nH]cc[nH+]2)c1 ZINC000944236118 610803336 /nfs/dbraw/zinc/80/33/36/610803336.db2.gz IGZFTMCMJNMWPS-GFCCVEGCSA-N 1 2 326.360 0.573 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC000944408638 610861790 /nfs/dbraw/zinc/86/17/90/610861790.db2.gz BCPMRURZAJKQTG-ZDUSSCGKSA-N 1 2 329.404 0.953 20 30 ECEDLO C#CCNS(=O)(=O)N1CCN(c2nc(C)[nH+]c3c2CCCC3)CC1 ZINC000872634257 611333433 /nfs/dbraw/zinc/33/34/33/611333433.db2.gz YPDLOGVEMIEQPG-UHFFFAOYSA-N 1 2 349.460 0.253 20 30 ECEDLO CN(C)c1[nH+]cc(CNc2[nH]nc(N3CCOCC3)c2C#N)n1C ZINC000922362864 611348744 /nfs/dbraw/zinc/34/87/44/611348744.db2.gz RZYOAFDJFJNYMO-UHFFFAOYSA-N 1 2 330.396 0.530 20 30 ECEDLO CN(C)c1[nH+]cc(CNc2n[nH]c(N3CCOCC3)c2C#N)n1C ZINC000922362864 611348745 /nfs/dbraw/zinc/34/87/45/611348745.db2.gz RZYOAFDJFJNYMO-UHFFFAOYSA-N 1 2 330.396 0.530 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCS(C)(=O)=O)[C@H](C)C2)nc1 ZINC000947948186 611752334 /nfs/dbraw/zinc/75/23/34/611752334.db2.gz MMNHSABQTNWBCV-HIFRSBDPSA-N 1 2 349.456 0.690 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCS(C)(=O)=O)[C@H](C)C2)nc1 ZINC000947948186 611752335 /nfs/dbraw/zinc/75/23/35/611752335.db2.gz MMNHSABQTNWBCV-HIFRSBDPSA-N 1 2 349.456 0.690 20 30 ECEDLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000950797751 611911777 /nfs/dbraw/zinc/91/17/77/611911777.db2.gz FELCYNIJJDFRJH-BXUZGUMPSA-N 1 2 326.360 0.360 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000950234853 611919801 /nfs/dbraw/zinc/91/98/01/611919801.db2.gz CSGJUCZNTQRDHM-KFWWJZLASA-N 1 2 332.404 0.651 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CC1)CN(Cc1c[nH+]cn1C)CCO2 ZINC000949320336 611937882 /nfs/dbraw/zinc/93/78/82/611937882.db2.gz KZIYOWPWMOFQQG-AWEZNQCLSA-N 1 2 331.420 0.773 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)CCc3ccncn3)CC2)C1 ZINC000949376098 611956065 /nfs/dbraw/zinc/95/60/65/611956065.db2.gz ROABUVLFYRICFE-UHFFFAOYSA-N 1 2 328.416 0.736 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)CCc3ccncn3)CC2)C1 ZINC000949376098 611956066 /nfs/dbraw/zinc/95/60/66/611956066.db2.gz ROABUVLFYRICFE-UHFFFAOYSA-N 1 2 328.416 0.736 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc(N(C)C)nn3)CC2)C1 ZINC000949512296 612016001 /nfs/dbraw/zinc/01/60/01/612016001.db2.gz VWRIOEGAPBZPNP-UHFFFAOYSA-N 1 2 343.431 0.483 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccc(N(C)C)nn3)CC2)C1 ZINC000949512296 612016003 /nfs/dbraw/zinc/01/60/03/612016003.db2.gz VWRIOEGAPBZPNP-UHFFFAOYSA-N 1 2 343.431 0.483 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC000951958437 612153910 /nfs/dbraw/zinc/15/39/10/612153910.db2.gz ZIEXKQMVCZKVBI-MRXNPFEDSA-N 1 2 337.383 0.680 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[NH+](CCc3cnn(C)c3)CC2)nn1 ZINC000951559840 612345021 /nfs/dbraw/zinc/34/50/21/612345021.db2.gz QGAHYVPMAQOYAJ-UHFFFAOYSA-N 1 2 329.408 0.198 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)C2CN(C(=O)CCn3cc[nH+]c3)C2)c1 ZINC000955264093 612394472 /nfs/dbraw/zinc/39/44/72/612394472.db2.gz QXMUZXISFZOQQL-UHFFFAOYSA-N 1 2 337.383 0.633 20 30 ECEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000954637309 612478219 /nfs/dbraw/zinc/47/82/19/612478219.db2.gz ZDTDOTWGLCQAPS-CHWSQXEVSA-N 1 2 338.371 0.696 20 30 ECEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000954637309 612478221 /nfs/dbraw/zinc/47/82/21/612478221.db2.gz ZDTDOTWGLCQAPS-CHWSQXEVSA-N 1 2 338.371 0.696 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@](C)(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000956801967 612565199 /nfs/dbraw/zinc/56/51/99/612565199.db2.gz DCKQWZOEUWTFBB-KRWDZBQOSA-N 1 2 340.387 0.881 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)c[nH]1 ZINC000955984834 612565750 /nfs/dbraw/zinc/56/57/50/612565750.db2.gz HMHZHRSGHPUMGH-AWEZNQCLSA-N 1 2 340.387 0.963 20 30 ECEDLO CN(C(=O)Cn1cc[nH+]c1)C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000954052972 612595098 /nfs/dbraw/zinc/59/50/98/612595098.db2.gz IMRMEHAHUYHGPL-UHFFFAOYSA-N 1 2 340.387 0.846 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@](C)(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000956835693 612606398 /nfs/dbraw/zinc/60/63/98/612606398.db2.gz OSJZBBWFFKZKKD-QGZVFWFLSA-N 1 2 340.387 0.881 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000955617919 612710431 /nfs/dbraw/zinc/71/04/31/612710431.db2.gz JIDGESZSNLEMNQ-DGCLKSJQSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000955631507 612719624 /nfs/dbraw/zinc/71/96/24/612719624.db2.gz XEQTWQQAASXCLY-NWDGAFQWSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)C#CC1CC1 ZINC000955677112 612757177 /nfs/dbraw/zinc/75/71/77/612757177.db2.gz YHKXGTKZKOJDIJ-ZFWWWQNUSA-N 1 2 328.416 0.872 20 30 ECEDLO C=CCn1cc(C(=O)N(C)C2CN(C(=O)CCn3cc[nH+]c3)C2)nn1 ZINC000954311532 612842920 /nfs/dbraw/zinc/84/29/20/612842920.db2.gz RUPRKMUVFXIZGJ-UHFFFAOYSA-N 1 2 343.391 0.034 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000955797838 612845202 /nfs/dbraw/zinc/84/52/02/612845202.db2.gz OQBJKFIGVGMTII-WCQYABFASA-N 1 2 340.387 0.961 20 30 ECEDLO CCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000956589634 612920153 /nfs/dbraw/zinc/92/01/53/612920153.db2.gz YRQWLPRODHUMBW-AWEZNQCLSA-N 1 2 329.404 0.655 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)CC(C)(F)F)C2)CC1 ZINC000956605725 612924707 /nfs/dbraw/zinc/92/47/07/612924707.db2.gz MGOFHKRQOVQEKI-OLZOCXBDSA-N 1 2 342.390 0.936 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3CCCC3)C2)nn1 ZINC001098595390 738505386 /nfs/dbraw/zinc/50/53/86/738505386.db2.gz MSRQSLAGZGQLEY-QGZVFWFLSA-N 1 2 345.447 0.981 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2Cc3ccccc3O2)[C@@H](n2ccnn2)C1 ZINC001069973011 790264969 /nfs/dbraw/zinc/26/49/69/790264969.db2.gz HPWKWBKOKCJHOA-VYDXJSESSA-N 1 2 337.383 0.257 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2Cc3ccccc3O2)[C@@H](n2ccnn2)C1 ZINC001069973011 790264972 /nfs/dbraw/zinc/26/49/72/790264972.db2.gz HPWKWBKOKCJHOA-VYDXJSESSA-N 1 2 337.383 0.257 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Br)o2)C1 ZINC001078065422 782237332 /nfs/dbraw/zinc/23/73/32/782237332.db2.gz ACDUNVGCAHXVSJ-NXEZZACHSA-N 1 2 327.178 0.840 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Br)o2)C1 ZINC001078065422 782237345 /nfs/dbraw/zinc/23/73/45/782237345.db2.gz ACDUNVGCAHXVSJ-NXEZZACHSA-N 1 2 327.178 0.840 20 30 ECEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(OCC)no2)[C@@H](n2ccnn2)C1 ZINC001069981637 790275111 /nfs/dbraw/zinc/27/51/11/790275111.db2.gz OWZPGIXQSPRFPW-OLZOCXBDSA-N 1 2 346.391 0.896 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(OCC)no2)[C@@H](n2ccnn2)C1 ZINC001069981637 790275114 /nfs/dbraw/zinc/27/51/14/790275114.db2.gz OWZPGIXQSPRFPW-OLZOCXBDSA-N 1 2 346.391 0.896 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1O ZINC001078082016 782273473 /nfs/dbraw/zinc/27/34/73/782273473.db2.gz AYKKAKAJKQGAPG-QZTJIDSGSA-N 1 2 338.411 0.305 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1O ZINC001078082016 782273480 /nfs/dbraw/zinc/27/34/80/782273480.db2.gz AYKKAKAJKQGAPG-QZTJIDSGSA-N 1 2 338.411 0.305 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC000970095767 732772838 /nfs/dbraw/zinc/77/28/38/732772838.db2.gz KDONPNRTTQGTHN-NWDGAFQWSA-N 1 2 328.844 0.966 20 30 ECEDLO CN(C[C@@H](O)CN(C)c1ccc(C#N)cn1)C(=O)CCc1c[nH]c[nH+]1 ZINC001125319894 732945509 /nfs/dbraw/zinc/94/55/09/732945509.db2.gz FDAWQZOPXFZAGR-HNNXBMFYSA-N 1 2 342.403 0.565 20 30 ECEDLO CN(C[C@@H](O)CN(C)c1ccc(C#N)cn1)C(=O)CCc1c[nH+]c[nH]1 ZINC001125319894 732945510 /nfs/dbraw/zinc/94/55/10/732945510.db2.gz FDAWQZOPXFZAGR-HNNXBMFYSA-N 1 2 342.403 0.565 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC000970242407 733259159 /nfs/dbraw/zinc/25/91/59/733259159.db2.gz XNBJOHZXPZDXKU-IPYPFGDCSA-N 1 2 349.435 0.807 20 30 ECEDLO C[C@@H](NC(=O)[C@@H]1CCNC1=O)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970268029 733281739 /nfs/dbraw/zinc/28/17/39/733281739.db2.gz KNGIPEWHNKAOEU-IAQYHMDHSA-N 1 2 344.390 0.770 20 30 ECEDLO C[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000970431083 733513451 /nfs/dbraw/zinc/51/34/51/733513451.db2.gz KBGXKFBXBCBJTI-KMUNFCNLSA-N 1 2 344.390 0.755 20 30 ECEDLO C#CCOc1ncccc1C(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000970511920 733630997 /nfs/dbraw/zinc/63/09/97/733630997.db2.gz QTCXMPQXVXCWTQ-GFCCVEGCSA-N 1 2 343.412 0.949 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2cnnn2C)C1 ZINC000970571557 733685583 /nfs/dbraw/zinc/68/55/83/733685583.db2.gz MFKXJFULXZURDP-RCBQFDQVSA-N 1 2 333.436 0.733 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@H]1CN(c2cc(C)[nH+]c(CC)n2)CCO1 ZINC001104316597 734258931 /nfs/dbraw/zinc/25/89/31/734258931.db2.gz FBYNFMPYLUXXKQ-KSSFIOAISA-N 1 2 348.447 0.996 20 30 ECEDLO N#Cc1c(F)cccc1N1CCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001104326083 734322091 /nfs/dbraw/zinc/32/20/91/734322091.db2.gz DSHQGFWYMTYDCQ-GFCCVEGCSA-N 1 2 343.362 0.985 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)CCO1 ZINC001104330654 734371503 /nfs/dbraw/zinc/37/15/03/734371503.db2.gz UGGLQNOQLBSYCO-GDBMZVCRSA-N 1 2 346.431 0.762 20 30 ECEDLO C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001087151874 734475652 /nfs/dbraw/zinc/47/56/52/734475652.db2.gz PCFBLGPOKGZXFP-RISCZKNCSA-N 1 2 342.407 0.440 20 30 ECEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000971451613 734609470 /nfs/dbraw/zinc/60/94/70/734609470.db2.gz MCKHXZJCILKWMD-CABCVRRESA-N 1 2 346.362 0.838 20 30 ECEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000971451613 734609473 /nfs/dbraw/zinc/60/94/73/734609473.db2.gz MCKHXZJCILKWMD-CABCVRRESA-N 1 2 346.362 0.838 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](C)c3cnn(C)c3)CC2)C1 ZINC000949537102 734702176 /nfs/dbraw/zinc/70/21/76/734702176.db2.gz ZGGODSROCABHAY-HNNXBMFYSA-N 1 2 330.432 0.850 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](C)c3cnn(C)c3)CC2)C1 ZINC000949537102 734702179 /nfs/dbraw/zinc/70/21/79/734702179.db2.gz ZGGODSROCABHAY-HNNXBMFYSA-N 1 2 330.432 0.850 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)OCCC(C)C)C2 ZINC001111490117 735111359 /nfs/dbraw/zinc/11/13/59/735111359.db2.gz UOXJXQRBMXPGBH-VQHPVUNQSA-N 1 2 349.475 0.909 20 30 ECEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)OCCC(C)C)C2 ZINC001111490117 735111362 /nfs/dbraw/zinc/11/13/62/735111362.db2.gz UOXJXQRBMXPGBH-VQHPVUNQSA-N 1 2 349.475 0.909 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4ccnn4)cc3)[C@H]2C1 ZINC001083245859 735840939 /nfs/dbraw/zinc/84/09/39/735840939.db2.gz MFOPCQFSLIUCJJ-DLBZAZTESA-N 1 2 337.383 0.426 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4ccnn4)cc3)[C@H]2C1 ZINC001083245859 735840944 /nfs/dbraw/zinc/84/09/44/735840944.db2.gz MFOPCQFSLIUCJJ-DLBZAZTESA-N 1 2 337.383 0.426 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCc3ccccc3C(N)=O)[C@H]2C1 ZINC001083247869 735993881 /nfs/dbraw/zinc/99/38/81/735993881.db2.gz HSIHSKNBVXXPPK-DLBZAZTESA-N 1 2 341.411 0.263 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3ccccc3C(N)=O)[C@H]2C1 ZINC001083247869 735993884 /nfs/dbraw/zinc/99/38/84/735993884.db2.gz HSIHSKNBVXXPPK-DLBZAZTESA-N 1 2 341.411 0.263 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)COc3c(C)nn(C)c3C)C2)C1 ZINC000972382381 736050031 /nfs/dbraw/zinc/05/00/31/736050031.db2.gz XQDOSPBJNDRCTK-SFHVURJKSA-N 1 2 346.431 0.352 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)COc3c(C)nn(C)c3C)C2)C1 ZINC000972382381 736050034 /nfs/dbraw/zinc/05/00/34/736050034.db2.gz XQDOSPBJNDRCTK-SFHVURJKSA-N 1 2 346.431 0.352 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3nnn(C(C)(C)C)n3)C2)C1 ZINC000972386467 736055152 /nfs/dbraw/zinc/05/51/52/736055152.db2.gz CZSNNWKSQAMBEG-INIZCTEOSA-N 1 2 334.424 0.531 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3nnn(C(C)(C)C)n3)C2)C1 ZINC000972386467 736055157 /nfs/dbraw/zinc/05/51/57/736055157.db2.gz CZSNNWKSQAMBEG-INIZCTEOSA-N 1 2 334.424 0.531 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN(C(=O)CC)C3)C2)C1 ZINC000972386899 736056395 /nfs/dbraw/zinc/05/63/95/736056395.db2.gz ICNUUFOJPBGESE-VQIMIIECSA-N 1 2 347.459 0.572 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN(C(=O)CC)C3)C2)C1 ZINC000972386899 736056400 /nfs/dbraw/zinc/05/64/00/736056400.db2.gz ICNUUFOJPBGESE-VQIMIIECSA-N 1 2 347.459 0.572 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn(C4CCC4)nn3)C2)C1 ZINC000972387769 736059670 /nfs/dbraw/zinc/05/96/70/736059670.db2.gz XMKJLPXLXIKVHJ-GOSISDBHSA-N 1 2 343.431 0.943 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn(C4CCC4)nn3)C2)C1 ZINC000972387769 736059674 /nfs/dbraw/zinc/05/96/74/736059674.db2.gz XMKJLPXLXIKVHJ-GOSISDBHSA-N 1 2 343.431 0.943 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3c(C)nn(CC)c3C)[C@H]2C1 ZINC001083250468 736072617 /nfs/dbraw/zinc/07/26/17/736072617.db2.gz UIBZRVQZNKOBRH-DLBZAZTESA-N 1 2 330.432 0.607 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c(C)nn(CC)c3C)[C@H]2C1 ZINC001083250468 736072623 /nfs/dbraw/zinc/07/26/23/736072623.db2.gz UIBZRVQZNKOBRH-DLBZAZTESA-N 1 2 330.432 0.607 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(CC)CCNC3=O)C2)C1 ZINC000972423951 736171135 /nfs/dbraw/zinc/17/11/35/736171135.db2.gz WWAMLOMCMAGJRD-MSOLQXFVSA-N 1 2 333.432 0.229 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(CC)CCNC3=O)C2)C1 ZINC000972423951 736171138 /nfs/dbraw/zinc/17/11/38/736171138.db2.gz WWAMLOMCMAGJRD-MSOLQXFVSA-N 1 2 333.432 0.229 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccc(C(N)=O)nc3)C2)C1 ZINC000972436593 736191834 /nfs/dbraw/zinc/19/18/34/736191834.db2.gz YOYLZAWWLUAYPU-SFHVURJKSA-N 1 2 344.415 0.212 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccc(C(N)=O)nc3)C2)C1 ZINC000972436593 736191836 /nfs/dbraw/zinc/19/18/36/736191836.db2.gz YOYLZAWWLUAYPU-SFHVURJKSA-N 1 2 344.415 0.212 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)nc3COC)C2)C1 ZINC000972437269 736195267 /nfs/dbraw/zinc/19/52/67/736195267.db2.gz ANZRDHVZSZIHFZ-SFHVURJKSA-N 1 2 346.431 0.507 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)nc3COC)C2)C1 ZINC000972437269 736195269 /nfs/dbraw/zinc/19/52/69/736195269.db2.gz ANZRDHVZSZIHFZ-SFHVURJKSA-N 1 2 346.431 0.507 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC000972440417 736198840 /nfs/dbraw/zinc/19/88/40/736198840.db2.gz FODKVMJBPMCJCS-SUMWQHHRSA-N 1 2 347.419 0.035 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC000972440417 736198843 /nfs/dbraw/zinc/19/88/43/736198843.db2.gz FODKVMJBPMCJCS-SUMWQHHRSA-N 1 2 347.419 0.035 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCn4nccc43)C2)C1 ZINC000972441901 736204957 /nfs/dbraw/zinc/20/49/57/736204957.db2.gz WEQOTWNLJDKFOL-MAUKXSAKSA-N 1 2 328.416 0.697 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCn4nccc43)C2)C1 ZINC000972441901 736204960 /nfs/dbraw/zinc/20/49/60/736204960.db2.gz WEQOTWNLJDKFOL-MAUKXSAKSA-N 1 2 328.416 0.697 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 ZINC000972450622 736230832 /nfs/dbraw/zinc/23/08/32/736230832.db2.gz XBPHHPAXJXGOES-SFHVURJKSA-N 1 2 344.415 0.606 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 ZINC000972450622 736230834 /nfs/dbraw/zinc/23/08/34/736230834.db2.gz XBPHHPAXJXGOES-SFHVURJKSA-N 1 2 344.415 0.606 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3cc(CC)nn3C)C2)C1 ZINC000972476420 736294951 /nfs/dbraw/zinc/29/49/51/736294951.db2.gz XTYTYRCNQCPTTN-GOSISDBHSA-N 1 2 330.432 0.462 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3cc(CC)nn3C)C2)C1 ZINC000972476420 736294955 /nfs/dbraw/zinc/29/49/55/736294955.db2.gz XTYTYRCNQCPTTN-GOSISDBHSA-N 1 2 330.432 0.462 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3cccc(OCC)n3)C2)C1 ZINC000972478877 736300916 /nfs/dbraw/zinc/30/09/16/736300916.db2.gz NIFYKVJZGUWRLK-IBGZPJMESA-N 1 2 343.427 0.959 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cccc(OCC)n3)C2)C1 ZINC000972478877 736300918 /nfs/dbraw/zinc/30/09/18/736300918.db2.gz NIFYKVJZGUWRLK-IBGZPJMESA-N 1 2 343.427 0.959 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 ZINC000972488665 736347508 /nfs/dbraw/zinc/34/75/08/736347508.db2.gz FNTQWWORRWZFSF-SFHVURJKSA-N 1 2 330.432 0.516 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 ZINC000972488665 736347511 /nfs/dbraw/zinc/34/75/11/736347511.db2.gz FNTQWWORRWZFSF-SFHVURJKSA-N 1 2 330.432 0.516 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)nc3OC)C2)C1 ZINC000972495180 736395593 /nfs/dbraw/zinc/39/55/93/736395593.db2.gz YEJRQRJONCTCQX-KRWDZBQOSA-N 1 2 332.404 0.369 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)nc3OC)C2)C1 ZINC000972495180 736395596 /nfs/dbraw/zinc/39/55/96/736395596.db2.gz YEJRQRJONCTCQX-KRWDZBQOSA-N 1 2 332.404 0.369 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4cnn(C)c4C3)C2)C1 ZINC000972517126 736528149 /nfs/dbraw/zinc/52/81/49/736528149.db2.gz BBONQIHEVOLJOL-HNAYVOBHSA-N 1 2 342.443 0.462 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4cnn(C)c4C3)C2)C1 ZINC000972517126 736528152 /nfs/dbraw/zinc/52/81/52/736528152.db2.gz BBONQIHEVOLJOL-HNAYVOBHSA-N 1 2 342.443 0.462 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)c(C(N)=O)cn3)C2)C1 ZINC000972561072 736778005 /nfs/dbraw/zinc/77/80/05/736778005.db2.gz KVPZJFUPRKLZSB-SFHVURJKSA-N 1 2 344.415 0.592 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C)c(C(N)=O)cn3)C2)C1 ZINC000972561072 736778008 /nfs/dbraw/zinc/77/80/08/736778008.db2.gz KVPZJFUPRKLZSB-SFHVURJKSA-N 1 2 344.415 0.592 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCCCN3C(C)=O)C2)C1 ZINC000972584952 736965552 /nfs/dbraw/zinc/96/55/52/736965552.db2.gz DDWGCXDGYNKSHO-MJGOQNOKSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCCCN3C(C)=O)C2)C1 ZINC000972584952 736965554 /nfs/dbraw/zinc/96/55/54/736965554.db2.gz DDWGCXDGYNKSHO-MJGOQNOKSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(CC)c[nH]c3=O)C2)C1 ZINC000972615647 737100292 /nfs/dbraw/zinc/10/02/92/737100292.db2.gz RNLWVOBVUCIIGS-SFHVURJKSA-N 1 2 329.400 0.900 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(CC)c[nH]c3=O)C2)C1 ZINC000972615647 737100297 /nfs/dbraw/zinc/10/02/97/737100297.db2.gz RNLWVOBVUCIIGS-SFHVURJKSA-N 1 2 329.400 0.900 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC2(CN(C(=O)C(N)=O)C2)C1 ZINC000981972098 751386631 /nfs/dbraw/zinc/38/66/31/751386631.db2.gz NRNYFDJXZQAGIB-UHFFFAOYSA-N 1 2 330.363 0.607 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC2(CN(C(=O)C(N)=O)C2)C1 ZINC000981972098 751386636 /nfs/dbraw/zinc/38/66/36/751386636.db2.gz NRNYFDJXZQAGIB-UHFFFAOYSA-N 1 2 330.363 0.607 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3nonc3C)C2)nn1 ZINC001023638027 737124990 /nfs/dbraw/zinc/12/49/90/737124990.db2.gz XFRVXGZVFPGDIQ-CYBMUJFWSA-N 1 2 345.407 0.798 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3nonc3C)C2)nn1 ZINC001023638027 737124994 /nfs/dbraw/zinc/12/49/94/737124994.db2.gz XFRVXGZVFPGDIQ-CYBMUJFWSA-N 1 2 345.407 0.798 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)CCN(C(C)=O)C3)C2)C1 ZINC000972626236 737142772 /nfs/dbraw/zinc/14/27/72/737142772.db2.gz ALWGNQFKBLJKOF-QZTJIDSGSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)CCN(C(C)=O)C3)C2)C1 ZINC000972626236 737142774 /nfs/dbraw/zinc/14/27/74/737142774.db2.gz ALWGNQFKBLJKOF-QZTJIDSGSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)C2)C1 ZINC000972631069 737165716 /nfs/dbraw/zinc/16/57/16/737165716.db2.gz JSNVVFYYDOGFND-QAPCUYQASA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)C2)C1 ZINC000972631069 737165719 /nfs/dbraw/zinc/16/57/19/737165719.db2.gz JSNVVFYYDOGFND-QAPCUYQASA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3c(C)nn(CC)c3C)C2)C1 ZINC000972638577 737198151 /nfs/dbraw/zinc/19/81/51/737198151.db2.gz LXWYUBYSQJCPRN-IBGZPJMESA-N 1 2 344.459 0.999 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3c(C)nn(CC)c3C)C2)C1 ZINC000972638577 737198153 /nfs/dbraw/zinc/19/81/53/737198153.db2.gz LXWYUBYSQJCPRN-IBGZPJMESA-N 1 2 344.459 0.999 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCCCC(=O)N3)C2)C1 ZINC000972652799 737258971 /nfs/dbraw/zinc/25/89/71/737258971.db2.gz CLWXBPBGGHCSOU-MAUKXSAKSA-N 1 2 333.432 0.372 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCCCC(=O)N3)C2)C1 ZINC000972652799 737258976 /nfs/dbraw/zinc/25/89/76/737258976.db2.gz CLWXBPBGGHCSOU-MAUKXSAKSA-N 1 2 333.432 0.372 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 ZINC000972659563 737270671 /nfs/dbraw/zinc/27/06/71/737270671.db2.gz NXSMFICVJWTSEO-MJGOQNOKSA-N 1 2 342.395 0.763 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 ZINC000972659563 737270673 /nfs/dbraw/zinc/27/06/73/737270673.db2.gz NXSMFICVJWTSEO-MJGOQNOKSA-N 1 2 342.395 0.763 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCN3C(=O)C(C)C)C2)C1 ZINC000972673620 737343115 /nfs/dbraw/zinc/34/31/15/737343115.db2.gz KBNORIAMVYMOGV-APWZRJJASA-N 1 2 347.459 0.570 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCN3C(=O)C(C)C)C2)C1 ZINC000972673620 737343118 /nfs/dbraw/zinc/34/31/18/737343118.db2.gz KBNORIAMVYMOGV-APWZRJJASA-N 1 2 347.459 0.570 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccnc3C(N)=O)C2)C1 ZINC000972684743 737374328 /nfs/dbraw/zinc/37/43/28/737374328.db2.gz WSVUTEDSIHJQII-QGZVFWFLSA-N 1 2 330.388 0.283 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccnc3C(N)=O)C2)C1 ZINC000972684743 737374331 /nfs/dbraw/zinc/37/43/31/737374331.db2.gz WSVUTEDSIHJQII-QGZVFWFLSA-N 1 2 330.388 0.283 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@H](C[NH2+]Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001023896261 737466205 /nfs/dbraw/zinc/46/62/05/737466205.db2.gz YQKPJTIRBZEWJI-QWHCGFSZSA-N 1 2 342.403 0.510 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC000972850322 737769133 /nfs/dbraw/zinc/76/91/33/737769133.db2.gz IDIADHMOXPZSPM-KCYZZUKISA-N 1 2 338.411 0.986 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000972850322 737769137 /nfs/dbraw/zinc/76/91/37/737769137.db2.gz IDIADHMOXPZSPM-KCYZZUKISA-N 1 2 338.411 0.986 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001024345507 737911289 /nfs/dbraw/zinc/91/12/89/737911289.db2.gz NCCDQXKBZXSLHQ-MGPQQGTHSA-N 1 2 346.431 0.346 20 30 ECEDLO C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001024378208 737935265 /nfs/dbraw/zinc/93/52/65/737935265.db2.gz JBNOKWYGQQXWHE-QHSBEEBCSA-N 1 2 344.415 0.557 20 30 ECEDLO C=C1CC(C)(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001024378208 737935269 /nfs/dbraw/zinc/93/52/69/737935269.db2.gz JBNOKWYGQQXWHE-QHSBEEBCSA-N 1 2 344.415 0.557 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccnn2C)nn1 ZINC001024698886 738229324 /nfs/dbraw/zinc/22/93/24/738229324.db2.gz MOHXRZGOAYHCRL-CQSZACIVSA-N 1 2 343.435 0.982 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccnn2C)nn1 ZINC001024698886 738229326 /nfs/dbraw/zinc/22/93/26/738229326.db2.gz MOHXRZGOAYHCRL-CQSZACIVSA-N 1 2 343.435 0.982 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2O)CC1 ZINC001025492113 739655738 /nfs/dbraw/zinc/65/57/38/739655738.db2.gz IQFHEUCMDHWOST-HUUCEWRRSA-N 1 2 332.404 0.387 20 30 ECEDLO CN(C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)c1cncc(C#N)n1 ZINC001058695296 740585039 /nfs/dbraw/zinc/58/50/39/740585039.db2.gz WFPFNZJEOASYJB-ZDUSSCGKSA-N 1 2 339.403 0.989 20 30 ECEDLO C[C@H](CNc1ccnc(C#N)n1)N(C)C(=O)CCc1[nH+]ccn1C ZINC001104892214 740832247 /nfs/dbraw/zinc/83/22/47/740832247.db2.gz JIAYOZFMKPOUSZ-GFCCVEGCSA-N 1 2 327.392 0.395 20 30 ECEDLO CN(C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)c1nccnc1C#N ZINC001058705467 740976406 /nfs/dbraw/zinc/97/64/06/740976406.db2.gz BNIPGKSKIJAMQW-CYBMUJFWSA-N 1 2 339.403 0.989 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(C)c3C(F)F)C2)nn1 ZINC001105359799 751596183 /nfs/dbraw/zinc/59/61/83/751596183.db2.gz WKOBSYJHWZTXSI-UHFFFAOYSA-N 1 2 349.345 0.369 20 30 ECEDLO C=CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001112069628 741091826 /nfs/dbraw/zinc/09/18/26/741091826.db2.gz GVAFJRKRTFTAAD-VXGBXAGGSA-N 1 2 347.341 0.497 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)C3CCCCC3)C2)nn1 ZINC001105140264 741413861 /nfs/dbraw/zinc/41/38/61/741413861.db2.gz VQSDTGNNMSPNIP-UHFFFAOYSA-N 1 2 345.447 0.981 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(F)nc3)C2)nn1 ZINC001105194681 741458626 /nfs/dbraw/zinc/45/86/26/741458626.db2.gz DFSIERJICBTLBK-UHFFFAOYSA-N 1 2 328.351 0.622 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)C(F)=C(C)C)C2)nn1 ZINC001105209479 741472101 /nfs/dbraw/zinc/47/21/01/741472101.db2.gz HCKATHWFEDZCHJ-UHFFFAOYSA-N 1 2 335.383 0.664 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC(n2cc(C[NH2+]C[C@@H](F)CC)nn2)C1 ZINC001105227582 741509030 /nfs/dbraw/zinc/50/90/30/741509030.db2.gz PUEKLWMTYGUBJN-LRDDRELGSA-N 1 2 339.415 0.826 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C(C)C)n(C)n3)C2)nn1 ZINC001105240417 741531708 /nfs/dbraw/zinc/53/17/08/741531708.db2.gz MEWNYKCHDDJIAQ-UHFFFAOYSA-N 1 2 341.419 0.555 20 30 ECEDLO C=C(C)CCC(=O)N1CC(n2cc(C[NH2+]CC(=O)NC(C)C)nn2)C1 ZINC001105252468 741561902 /nfs/dbraw/zinc/56/19/02/741561902.db2.gz SDKYBFCEFHAFQX-UHFFFAOYSA-N 1 2 348.451 0.632 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cc(C)on3)C2)C1=O ZINC001006671677 751649563 /nfs/dbraw/zinc/64/95/63/751649563.db2.gz NPDIRVGZTXZZKD-UKRRQHHQSA-N 1 2 332.404 0.964 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cc(C)on3)C2)C1=O ZINC001006671677 751649568 /nfs/dbraw/zinc/64/95/68/751649568.db2.gz NPDIRVGZTXZZKD-UKRRQHHQSA-N 1 2 332.404 0.964 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(OC)c(F)c3)C2)nn1 ZINC001105265135 741603797 /nfs/dbraw/zinc/60/37/97/741603797.db2.gz ZWJJVMRQUIQFHE-UHFFFAOYSA-N 1 2 343.362 0.846 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)n3cnc(C)c3)C2)nn1 ZINC001105268130 741609464 /nfs/dbraw/zinc/60/94/64/741609464.db2.gz AUDFALMUELKSPX-UHFFFAOYSA-N 1 2 341.419 0.324 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc4c[nH]ccc-4n3)C2)nn1 ZINC001105270777 741615107 /nfs/dbraw/zinc/61/51/07/741615107.db2.gz KXXMTKNLKGNKEC-UHFFFAOYSA-N 1 2 335.371 0.574 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc4c[nH]ccc-4n3)C2)nn1 ZINC001105271018 741615691 /nfs/dbraw/zinc/61/56/91/741615691.db2.gz TWCMABMMIKOXQM-UHFFFAOYSA-N 1 2 349.398 0.964 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C(=O)Nc3ccccc3)C2)nn1 ZINC001105276617 741630104 /nfs/dbraw/zinc/63/01/04/741630104.db2.gz MOGADESRCMPORD-UHFFFAOYSA-N 1 2 338.371 0.023 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C(C)(C)C)on3)C2)nn1 ZINC001105280764 741636851 /nfs/dbraw/zinc/63/68/51/741636851.db2.gz BPDCLUWJZZXFTL-UHFFFAOYSA-N 1 2 342.403 0.984 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)noc3C3CC3)C2)nn1 ZINC001105283884 741642319 /nfs/dbraw/zinc/64/23/19/741642319.db2.gz XMMYUOGMIMCWKY-UHFFFAOYSA-N 1 2 340.387 0.872 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)C3CC3)C2)nn1 ZINC001105310274 741715690 /nfs/dbraw/zinc/71/56/90/741715690.db2.gz WIJZVGHWNZPYJY-UHFFFAOYSA-N 1 2 345.447 0.837 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CC(n2cc(C[NH2+]CC(=O)NCC)nn2)C1 ZINC001105309968 741718875 /nfs/dbraw/zinc/71/88/75/741718875.db2.gz KMVHCVXXTAJWGY-CYBMUJFWSA-N 1 2 348.451 0.489 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)c3cncnc3)C2)nn1 ZINC001105312072 741721518 /nfs/dbraw/zinc/72/15/18/741721518.db2.gz AJJINDGWOUGTAX-ZDUSSCGKSA-N 1 2 339.403 0.368 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[C@@H](OC)C3)C2)nn1 ZINC001105313603 741740288 /nfs/dbraw/zinc/74/02/88/741740288.db2.gz FCKJLFWXVGOIDV-WMLDXEAASA-N 1 2 345.447 0.980 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(=O)NC)nn2)C1 ZINC001105318592 741763186 /nfs/dbraw/zinc/76/31/86/741763186.db2.gz GSTYXAPNVBJHSJ-YVEFUNNKSA-N 1 2 348.451 0.488 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC[C@@H]3CCCO3)C2)nn1 ZINC001098622222 741776634 /nfs/dbraw/zinc/77/66/34/741776634.db2.gz CXYNWGZHVWRUAD-CVEARBPZSA-N 1 2 331.420 0.734 20 30 ECEDLO N#CCN1CCCC2(CN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C2)C1 ZINC000982159518 751667694 /nfs/dbraw/zinc/66/76/94/751667694.db2.gz HWHZSSREIWXUEJ-INIZCTEOSA-N 1 2 332.448 0.545 20 30 ECEDLO C=CCCC1(C(=O)N2CC(n3cc(C[NH2+][C@H](C)C(N)=O)nn3)C2)CC1 ZINC001105322125 741783827 /nfs/dbraw/zinc/78/38/27/741783827.db2.gz AODZKINPHRUYKV-GFCCVEGCSA-N 1 2 346.435 0.371 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@H]32)cn1 ZINC000974670094 741975778 /nfs/dbraw/zinc/97/57/78/741975778.db2.gz LRVLMULBRPTPGD-NVXWUHKLSA-N 1 2 349.394 0.633 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2nonc2C)CC1(C)C ZINC000974686485 742002215 /nfs/dbraw/zinc/00/22/15/742002215.db2.gz PCMYGGXYSFLVCY-HOTGVXAUSA-N 1 2 345.447 0.802 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2nonc2C)CC1(C)C ZINC000974686485 742002220 /nfs/dbraw/zinc/00/22/20/742002220.db2.gz PCMYGGXYSFLVCY-HOTGVXAUSA-N 1 2 345.447 0.802 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3nn(C)c(C)c3Cl)C2)nn1 ZINC001105334340 742092255 /nfs/dbraw/zinc/09/22/55/742092255.db2.gz COUGWZHGWWIBQO-UHFFFAOYSA-N 1 2 347.810 0.393 20 30 ECEDLO C=CC[N@@H+]1C[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C(C)(C)C1 ZINC000974752074 742147044 /nfs/dbraw/zinc/14/70/44/742147044.db2.gz KLFFKPWSXXLDED-ZDUSSCGKSA-N 1 2 326.462 0.824 20 30 ECEDLO C=CC[N@H+]1C[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C(C)(C)C1 ZINC000974752074 742147046 /nfs/dbraw/zinc/14/70/46/742147046.db2.gz KLFFKPWSXXLDED-ZDUSSCGKSA-N 1 2 326.462 0.824 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(CCC)c3)C2)nn1 ZINC001105336327 742361194 /nfs/dbraw/zinc/36/11/94/742361194.db2.gz DBMURTQYSWCMDO-UHFFFAOYSA-N 1 2 327.392 0.305 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[C@@H](C)C3)C2)nn1 ZINC001105336313 742361660 /nfs/dbraw/zinc/36/16/60/742361660.db2.gz CIQORORCJHSZBM-CABCVRRESA-N 1 2 345.447 0.837 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)CC1(C)C ZINC000975066441 742470298 /nfs/dbraw/zinc/47/02/98/742470298.db2.gz SAIXHNQKQBFZKF-FRRDWIJNSA-N 1 2 349.435 0.026 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)CC1(C)C ZINC000975066441 742470304 /nfs/dbraw/zinc/47/03/04/742470304.db2.gz SAIXHNQKQBFZKF-FRRDWIJNSA-N 1 2 349.435 0.026 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)c1 ZINC000975070400 742472232 /nfs/dbraw/zinc/47/22/32/742472232.db2.gz DKYJXPKUGAKJBU-RHSMWYFYSA-N 1 2 349.394 0.702 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)nc1 ZINC000997091876 743222783 /nfs/dbraw/zinc/22/27/83/743222783.db2.gz CQGJFORXFDTGAV-AWEZNQCLSA-N 1 2 349.394 0.463 20 30 ECEDLO C=CCCOCC(=O)NCC[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001059866619 751807495 /nfs/dbraw/zinc/80/74/95/751807495.db2.gz DODWELDTPHLNDZ-HNNXBMFYSA-N 1 2 334.420 0.831 20 30 ECEDLO Cc1cc(C#N)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)Cn2cc[nH+]c2)n1 ZINC001058763418 743449878 /nfs/dbraw/zinc/44/98/78/743449878.db2.gz DAIUHAHPGNOLTI-GASCZTMLSA-N 1 2 337.387 0.733 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3cscn3)C2)nn1 ZINC001105381374 743451040 /nfs/dbraw/zinc/45/10/40/743451040.db2.gz YPMLKJNLFCTHLG-UHFFFAOYSA-N 1 2 344.444 0.864 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC001020600642 751884250 /nfs/dbraw/zinc/88/42/50/751884250.db2.gz KPHRVDDQGUMUKL-FQLMCAECSA-N 1 2 346.431 0.957 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]31)C2 ZINC000976724336 744271262 /nfs/dbraw/zinc/27/12/62/744271262.db2.gz APKAQPHORCSMKE-PBNMUELISA-N 1 2 341.415 0.556 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]31)CC2 ZINC000976724336 744271265 /nfs/dbraw/zinc/27/12/65/744271265.db2.gz APKAQPHORCSMKE-PBNMUELISA-N 1 2 341.415 0.556 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000977053796 744621068 /nfs/dbraw/zinc/62/10/68/744621068.db2.gz YUJXOJYQMOQZAS-HALDLXJZSA-N 1 2 335.367 0.215 20 30 ECEDLO N#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C3)[nH]1 ZINC000999734906 744877440 /nfs/dbraw/zinc/87/74/40/744877440.db2.gz JIDMIDFELIQHBE-XBFCOCLRSA-N 1 2 338.371 0.714 20 30 ECEDLO N#CCSCC(=O)N1CC[C@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001059198494 745117038 /nfs/dbraw/zinc/11/70/38/745117038.db2.gz TYBKSMHGHAMSTG-ZDUSSCGKSA-N 1 2 349.460 0.954 20 30 ECEDLO CN(C[C@H]1CCN1C(=O)Cc1c[nH+]cn1C)C(=O)c1cc(C#N)c[nH]1 ZINC000977514114 745135039 /nfs/dbraw/zinc/13/50/39/745135039.db2.gz AVHXQRPKOHRRPJ-CYBMUJFWSA-N 1 2 340.387 0.535 20 30 ECEDLO CN(C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)C(=O)c1cc(C#N)c[nH]1 ZINC000988391455 751976858 /nfs/dbraw/zinc/97/68/58/751976858.db2.gz CMKNDUKRDPHMPW-GFCCVEGCSA-N 1 2 340.387 0.773 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001000021855 745193048 /nfs/dbraw/zinc/19/30/48/745193048.db2.gz IFEACJIMXAHBJI-CFVMTHIKSA-N 1 2 332.404 0.752 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC001000232461 745369681 /nfs/dbraw/zinc/36/96/81/745369681.db2.gz OJASDGZLZONVPY-MJBXVCDLSA-N 1 2 349.435 0.807 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@H]([NH2+]Cc3nnc(CC)o3)C2)nn1 ZINC001000405777 745478812 /nfs/dbraw/zinc/47/88/12/745478812.db2.gz UKIUDMMYYYCPHI-LBPRGKRZSA-N 1 2 345.407 0.804 20 30 ECEDLO Cc1cnc([C@@H](C)[N@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)cn1 ZINC001083413320 745486029 /nfs/dbraw/zinc/48/60/29/745486029.db2.gz INZSECLHMJFCFZ-LYRGGWFBSA-N 1 2 340.387 0.521 20 30 ECEDLO Cc1cnc([C@@H](C)[N@@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)cn1 ZINC001083413320 745486030 /nfs/dbraw/zinc/48/60/30/745486030.db2.gz INZSECLHMJFCFZ-LYRGGWFBSA-N 1 2 340.387 0.521 20 30 ECEDLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000984092840 745806968 /nfs/dbraw/zinc/80/69/68/745806968.db2.gz HBSXSTOCJKYFDF-CQSZACIVSA-N 1 2 340.387 0.915 20 30 ECEDLO CN(C(=O)Cn1cc[nH+]c1)[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000984113231 745846759 /nfs/dbraw/zinc/84/67/59/745846759.db2.gz IYEYHCFRBNLHFU-HNNXBMFYSA-N 1 2 340.387 0.846 20 30 ECEDLO CC#CCCCC(=O)N1CC[C@H](n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001098703538 746015132 /nfs/dbraw/zinc/01/51/32/746015132.db2.gz VCOOVHWFSVRYLQ-ZFWWWQNUSA-N 1 2 346.435 0.209 20 30 ECEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@@H]2[C@H]3CN(CC#N)C[C@H]32)[nH]n1 ZINC000978220039 746054475 /nfs/dbraw/zinc/05/44/75/746054475.db2.gz IQZALMGAGUIGBH-NFFDBFGFSA-N 1 2 328.420 0.608 20 30 ECEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@@H]2[C@H]3CN(CC#N)C[C@H]32)[nH]n1 ZINC000978220039 746054479 /nfs/dbraw/zinc/05/44/79/746054479.db2.gz IQZALMGAGUIGBH-NFFDBFGFSA-N 1 2 328.420 0.608 20 30 ECEDLO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)c3coc(S(C)(=O)=O)c3)[C@@H]2C1 ZINC001075815269 746101644 /nfs/dbraw/zinc/10/16/44/746101644.db2.gz POEICIBMGMZNNS-GXTWGEPZSA-N 1 2 336.413 0.853 20 30 ECEDLO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3coc(S(C)(=O)=O)c3)[C@@H]2C1 ZINC001075815269 746101646 /nfs/dbraw/zinc/10/16/46/746101646.db2.gz POEICIBMGMZNNS-GXTWGEPZSA-N 1 2 336.413 0.853 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)C[C@@H]2CCN2C(=O)Cn2cc[nH+]c2)c1 ZINC000978352264 746210249 /nfs/dbraw/zinc/21/02/49/746210249.db2.gz DXAPDJKCVWOTDG-INIZCTEOSA-N 1 2 337.383 0.633 20 30 ECEDLO Cn1ncnc1C[NH+]1CCC(CNC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001001319216 746275533 /nfs/dbraw/zinc/27/55/33/746275533.db2.gz BFDPXWASLWGTHS-UHFFFAOYSA-N 1 2 327.392 0.657 20 30 ECEDLO C[C@@H](c1nnnn1C)[NH+]1CCC(CNC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001001329637 746282208 /nfs/dbraw/zinc/28/22/08/746282208.db2.gz HWSKLVPDUIEFLT-NSHDSACASA-N 1 2 342.407 0.613 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000978428707 746311556 /nfs/dbraw/zinc/31/15/56/746311556.db2.gz BXRUDARHMGFPHM-FMKPAKJESA-N 1 2 346.431 0.911 20 30 ECEDLO C[C@@H](c1cnccn1)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001083418057 746444110 /nfs/dbraw/zinc/44/41/10/746444110.db2.gz PMVAPUDHMGBEQN-VQISRLSMSA-N 1 2 326.360 0.212 20 30 ECEDLO C[C@@H](c1cnccn1)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001083418057 746444112 /nfs/dbraw/zinc/44/41/12/746444112.db2.gz PMVAPUDHMGBEQN-VQISRLSMSA-N 1 2 326.360 0.212 20 30 ECEDLO CC(C)(C(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1)c1c[nH+]c[nH]1 ZINC001001508403 746446748 /nfs/dbraw/zinc/44/67/48/746446748.db2.gz ZHTLQQVEBOFDFN-UHFFFAOYSA-N 1 2 340.387 0.775 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](NC(=O)[C@@H](C)OC)[C@H](OC)C1 ZINC001211957488 752110986 /nfs/dbraw/zinc/11/09/86/752110986.db2.gz UJWNPUAMLJUHTA-SRCQZFHVSA-N 1 2 347.415 0.917 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)OC)[C@H](OC)C1 ZINC001211957488 752110992 /nfs/dbraw/zinc/11/09/92/752110992.db2.gz UJWNPUAMLJUHTA-SRCQZFHVSA-N 1 2 347.415 0.917 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ncnn3C)C[C@H]21 ZINC000978827280 746756074 /nfs/dbraw/zinc/75/60/74/746756074.db2.gz JYCSBDNGBLCSFD-JGFGOLAASA-N 1 2 345.447 0.590 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ncnn3C)C[C@H]21 ZINC000978827280 746756080 /nfs/dbraw/zinc/75/60/80/746756080.db2.gz JYCSBDNGBLCSFD-JGFGOLAASA-N 1 2 345.447 0.590 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)nc1 ZINC000979084185 747149916 /nfs/dbraw/zinc/14/99/16/747149916.db2.gz DGVJHDDDUOWVPH-OKILXGFUSA-N 1 2 337.383 0.653 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(N)=O ZINC001029508060 747200650 /nfs/dbraw/zinc/20/06/50/747200650.db2.gz NDBXMKPPXRKWFH-QMHWVQJVSA-N 1 2 335.448 0.907 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(N)=O ZINC001029508060 747200657 /nfs/dbraw/zinc/20/06/57/747200657.db2.gz NDBXMKPPXRKWFH-QMHWVQJVSA-N 1 2 335.448 0.907 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2cnsn2)C[C@H]1CNC(=O)CSCC#N ZINC001101736146 752191124 /nfs/dbraw/zinc/19/11/24/752191124.db2.gz PTCDCKVLBXPFRO-GHMZBOCLSA-N 1 2 325.463 0.979 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2cnsn2)C[C@H]1CNC(=O)CSCC#N ZINC001101736146 752191128 /nfs/dbraw/zinc/19/11/28/752191128.db2.gz PTCDCKVLBXPFRO-GHMZBOCLSA-N 1 2 325.463 0.979 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CC(F)(F)F)[C@H](OC)C2)C1=O ZINC001211975034 752192019 /nfs/dbraw/zinc/19/20/19/752192019.db2.gz PVBDATWSAXFILL-GRYCIOLGSA-N 1 2 349.353 0.541 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CC(F)(F)F)[C@H](OC)C2)C1=O ZINC001211975034 752192022 /nfs/dbraw/zinc/19/20/22/752192022.db2.gz PVBDATWSAXFILL-GRYCIOLGSA-N 1 2 349.353 0.541 20 30 ECEDLO C[C@@H]1C[C@H]([NH2+]Cc2nc(N(C)C)no2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC000988502575 752220385 /nfs/dbraw/zinc/22/03/85/752220385.db2.gz QFKKIFPVQFYLGO-PWSUYJOCSA-N 1 2 343.391 0.728 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC000979528697 747967607 /nfs/dbraw/zinc/96/76/07/747967607.db2.gz IMHVRPUXIHCUTM-VQFNDLOPSA-N 1 2 334.379 0.820 20 30 ECEDLO CC(C)n1nnnc1C[N@H+](C)C[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001029734076 748176353 /nfs/dbraw/zinc/17/63/53/748176353.db2.gz RDLYIYRLWWSJCB-OAHLLOKOSA-N 1 2 330.436 0.948 20 30 ECEDLO CC(C)n1nnnc1C[N@@H+](C)C[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001029734076 748176354 /nfs/dbraw/zinc/17/63/54/748176354.db2.gz RDLYIYRLWWSJCB-OAHLLOKOSA-N 1 2 330.436 0.948 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)[nH]1 ZINC000979658654 748209817 /nfs/dbraw/zinc/20/98/17/748209817.db2.gz TYGLMCIBFYZIHZ-UMSPYCQHSA-N 1 2 326.360 0.477 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2nccn2C)C1 ZINC001029757650 748268060 /nfs/dbraw/zinc/26/80/60/748268060.db2.gz FTHPDLBCZZHBJK-IRXDYDNUSA-N 1 2 343.475 0.798 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2nccn2C)C1 ZINC001029757650 748268063 /nfs/dbraw/zinc/26/80/63/748268063.db2.gz FTHPDLBCZZHBJK-IRXDYDNUSA-N 1 2 343.475 0.798 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001059555830 748330442 /nfs/dbraw/zinc/33/04/42/748330442.db2.gz XPZXHTXMRQIYMF-KSSFIOAISA-N 1 2 348.447 0.645 20 30 ECEDLO N#CCSCC(=O)NCC[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001059560967 748426675 /nfs/dbraw/zinc/42/66/75/748426675.db2.gz RMTPICPFRWMHFX-CYBMUJFWSA-N 1 2 349.460 0.954 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3nnnn3C)C2)c1 ZINC001029834669 748666915 /nfs/dbraw/zinc/66/69/15/748666915.db2.gz HRCOIIZRBJVTAA-CQSZACIVSA-N 1 2 339.403 0.181 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H](C[N@H+](C)Cc3nnnn3C)C2)c1 ZINC001029834669 748666918 /nfs/dbraw/zinc/66/69/18/748666918.db2.gz HRCOIIZRBJVTAA-CQSZACIVSA-N 1 2 339.403 0.181 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2nncn2C)C1 ZINC001029846956 748779288 /nfs/dbraw/zinc/77/92/88/748779288.db2.gz MZWMHMAJTUPVCJ-KFWWJZLASA-N 1 2 333.436 0.687 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2nncn2C)C1 ZINC001029846956 748779298 /nfs/dbraw/zinc/77/92/98/748779298.db2.gz MZWMHMAJTUPVCJ-KFWWJZLASA-N 1 2 333.436 0.687 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC000982478495 752302294 /nfs/dbraw/zinc/30/22/94/752302294.db2.gz JCYJAVCNPMFDLK-ZFWWWQNUSA-N 1 2 329.404 0.086 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC000982478495 752302301 /nfs/dbraw/zinc/30/23/01/752302301.db2.gz JCYJAVCNPMFDLK-ZFWWWQNUSA-N 1 2 329.404 0.086 20 30 ECEDLO C=CC[N@@H+](C)C1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC000985704168 748896271 /nfs/dbraw/zinc/89/62/71/748896271.db2.gz PDFRZTQQVDYHMA-UHFFFAOYSA-N 1 2 330.392 0.180 20 30 ECEDLO C=CC[N@H+](C)C1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC000985704168 748896274 /nfs/dbraw/zinc/89/62/74/748896274.db2.gz PDFRZTQQVDYHMA-UHFFFAOYSA-N 1 2 330.392 0.180 20 30 ECEDLO CC#CC[NH+]1CCC(NC(=O)C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001003920622 749045680 /nfs/dbraw/zinc/04/56/80/749045680.db2.gz XNDJEFASAHAMHK-CQSZACIVSA-N 1 2 326.462 0.805 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001059646467 749100677 /nfs/dbraw/zinc/10/06/77/749100677.db2.gz RYCXRQNKEQFOLR-OAHLLOKOSA-N 1 2 346.431 0.357 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001059647786 749108426 /nfs/dbraw/zinc/10/84/26/749108426.db2.gz GRCOMKNZSIQEJO-HZPDHXFCSA-N 1 2 346.431 0.666 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001059648493 749109410 /nfs/dbraw/zinc/10/94/10/749109410.db2.gz UAWFPZVLUJTZGR-ZIAGYGMSSA-N 1 2 332.404 0.345 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cnnn1C ZINC001027890136 749153175 /nfs/dbraw/zinc/15/31/75/749153175.db2.gz QDFXXCVAIMMJOY-IMJJTQAJSA-N 1 2 333.436 0.877 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cnnn1C ZINC001027890136 749153177 /nfs/dbraw/zinc/15/31/77/749153177.db2.gz QDFXXCVAIMMJOY-IMJJTQAJSA-N 1 2 333.436 0.877 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3ncnn3C)C2)cn1 ZINC001029892224 749468456 /nfs/dbraw/zinc/46/84/56/749468456.db2.gz OOVQFRSXNSGMFF-CQSZACIVSA-N 1 2 338.415 0.786 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)Cc3ncnn3C)C2)cn1 ZINC001029892224 749468461 /nfs/dbraw/zinc/46/84/61/749468461.db2.gz OOVQFRSXNSGMFF-CQSZACIVSA-N 1 2 338.415 0.786 20 30 ECEDLO C[C@@H]1[C@H]([NH2+]Cc2nc(N(C)C)no2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000986130877 749598266 /nfs/dbraw/zinc/59/82/66/749598266.db2.gz HCOBABFBVFQJDX-ZYHUDNBSSA-N 1 2 343.391 0.728 20 30 ECEDLO Cc1nn(CC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)c(=O)n1C ZINC001004610102 749683061 /nfs/dbraw/zinc/68/30/61/749683061.db2.gz NRAQODQWILVKPK-HNNXBMFYSA-N 1 2 346.435 0.117 20 30 ECEDLO Cc1nn(CC(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)c(=O)n1C ZINC001004610102 749683063 /nfs/dbraw/zinc/68/30/63/749683063.db2.gz NRAQODQWILVKPK-HNNXBMFYSA-N 1 2 346.435 0.117 20 30 ECEDLO COCCc1noc(C[NH2+][C@@H]2CCN(C(=O)C#CC3CC3)[C@H]2C)n1 ZINC000986276326 749744877 /nfs/dbraw/zinc/74/48/77/749744877.db2.gz HSUBZMGVSCCWFP-GXTWGEPZSA-N 1 2 332.404 0.751 20 30 ECEDLO C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001004747578 749813733 /nfs/dbraw/zinc/81/37/33/749813733.db2.gz VMVBYPIOZIMJAW-BXUZGUMPSA-N 1 2 340.387 0.819 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3cnn(CC)c3)CC2)C1=O ZINC000980862557 750276959 /nfs/dbraw/zinc/27/69/59/750276959.db2.gz NZZBAORKEOXGKO-INIZCTEOSA-N 1 2 345.447 0.838 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3cnn(CC)c3)CC2)C1=O ZINC000980862557 750276963 /nfs/dbraw/zinc/27/69/63/750276963.db2.gz NZZBAORKEOXGKO-INIZCTEOSA-N 1 2 345.447 0.838 20 30 ECEDLO C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001005209877 750378122 /nfs/dbraw/zinc/37/81/22/750378122.db2.gz VPOKJUTUMVVJAI-SMDDNHRTSA-N 1 2 340.387 0.819 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3coc(COC)n3)C2)nn1 ZINC001105351785 750465016 /nfs/dbraw/zinc/46/50/16/750465016.db2.gz IVWYVHWDFSVFCY-UHFFFAOYSA-N 1 2 344.375 0.223 20 30 ECEDLO CC#CC[NH+]1CCC(N(C)C(=O)C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001005678331 750520086 /nfs/dbraw/zinc/52/00/86/750520086.db2.gz RROSTAMSHUMAJC-AWEZNQCLSA-N 1 2 326.462 0.757 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(CC)o3)[C@@H]2C)nn1 ZINC000987135716 750523813 /nfs/dbraw/zinc/52/38/13/750523813.db2.gz QZOIVRSDLUELSV-NWDGAFQWSA-N 1 2 345.407 0.802 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3c[nH]nc3CC)CC2)C1=O ZINC000981527932 750776109 /nfs/dbraw/zinc/77/61/09/750776109.db2.gz UAUMXTUNDQSQES-MRXNPFEDSA-N 1 2 345.447 0.907 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3c[nH]nc3CC)CC2)C1=O ZINC000981527932 750776110 /nfs/dbraw/zinc/77/61/10/750776110.db2.gz UAUMXTUNDQSQES-MRXNPFEDSA-N 1 2 345.447 0.907 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCC[N@H+](CC(=O)Nc1cnccn1)C2 ZINC000981672229 750952722 /nfs/dbraw/zinc/95/27/22/750952722.db2.gz QDHOSVYYFGXVCM-CYBMUJFWSA-N 1 2 342.403 0.499 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](CC(=O)Nc1cnccn1)C2 ZINC000981672229 750952729 /nfs/dbraw/zinc/95/27/29/750952729.db2.gz QDHOSVYYFGXVCM-CYBMUJFWSA-N 1 2 342.403 0.499 20 30 ECEDLO O=C([C@@H]1CCNC1=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000981746858 751066485 /nfs/dbraw/zinc/06/64/85/751066485.db2.gz PERCNTBLJNOEJN-QGZVFWFLSA-N 1 2 343.402 0.848 20 30 ECEDLO O=C([C@@H]1CCNC1=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000981746858 751066492 /nfs/dbraw/zinc/06/64/92/751066492.db2.gz PERCNTBLJNOEJN-QGZVFWFLSA-N 1 2 343.402 0.848 20 30 ECEDLO CCc1nc(C#N)cc(N(C)CCN(C)C(=O)Cc2[nH]cc[nH+]2)n1 ZINC001105453687 751266800 /nfs/dbraw/zinc/26/68/00/751266800.db2.gz JSEPJYGBGGXQAH-UHFFFAOYSA-N 1 2 327.392 0.771 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC001007448328 752392332 /nfs/dbraw/zinc/39/23/32/752392332.db2.gz OIPDGTDJGWTEOA-VXGBXAGGSA-N 1 2 327.812 0.857 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC001007448328 752392339 /nfs/dbraw/zinc/39/23/39/752392339.db2.gz OIPDGTDJGWTEOA-VXGBXAGGSA-N 1 2 327.812 0.857 20 30 ECEDLO COCCN(CCNC(=O)Cn1cc[nH+]c1)c1ncccc1C#N ZINC001126360878 752439148 /nfs/dbraw/zinc/43/91/48/752439148.db2.gz PCNOZJPMTMLBLL-UHFFFAOYSA-N 1 2 328.376 0.419 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c(F)cccc3F)C2)nn1 ZINC001105366267 752462235 /nfs/dbraw/zinc/46/22/35/752462235.db2.gz FRZSUCOADXSLQI-UHFFFAOYSA-N 1 2 331.326 0.976 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)COc3ccccc3)C2)nn1 ZINC001105366471 752463052 /nfs/dbraw/zinc/46/30/52/752463052.db2.gz RHRXMNWRVBTCEN-UHFFFAOYSA-N 1 2 325.372 0.463 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cn(C)nc3C)C2)nn1 ZINC001098645494 752731582 /nfs/dbraw/zinc/73/15/82/752731582.db2.gz NTOWAXKQWUEKPN-AWEZNQCLSA-N 1 2 327.392 0.130 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000988775259 752782253 /nfs/dbraw/zinc/78/22/53/752782253.db2.gz VOVBRJAOEOLFHB-KBXIAJHMSA-N 1 2 332.404 0.580 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cn(C)nc3C)C2)nn1 ZINC001098645877 752810280 /nfs/dbraw/zinc/81/02/80/752810280.db2.gz XPSKXAXOJDAWPX-OAHLLOKOSA-N 1 2 341.419 0.520 20 30 ECEDLO CCCn1nnnc1C[N@@H+]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001028486649 752821776 /nfs/dbraw/zinc/82/17/76/752821776.db2.gz IPEFRAHSLXNELV-GFCCVEGCSA-N 1 2 342.407 0.535 20 30 ECEDLO CCCn1nnnc1C[N@H+]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001028486649 752821784 /nfs/dbraw/zinc/82/17/84/752821784.db2.gz IPEFRAHSLXNELV-GFCCVEGCSA-N 1 2 342.407 0.535 20 30 ECEDLO CCCn1nnnc1C[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001028491670 752836674 /nfs/dbraw/zinc/83/66/74/752836674.db2.gz GFRHYYNBCBGMGW-LBPRGKRZSA-N 1 2 342.407 0.535 20 30 ECEDLO CCCn1nnnc1C[N@H+]1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001028491670 752836680 /nfs/dbraw/zinc/83/66/80/752836680.db2.gz GFRHYYNBCBGMGW-LBPRGKRZSA-N 1 2 342.407 0.535 20 30 ECEDLO COCCc1noc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)C#CC3CC3)C2)n1 ZINC000988826122 752939184 /nfs/dbraw/zinc/93/91/84/752939184.db2.gz NKAIAFYPNWBTHS-OCCSQVGLSA-N 1 2 332.404 0.751 20 30 ECEDLO COCCc1noc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)C#CC3CC3)C2)n1 ZINC000988826115 752939359 /nfs/dbraw/zinc/93/93/59/752939359.db2.gz NKAIAFYPNWBTHS-GXTWGEPZSA-N 1 2 332.404 0.751 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1nc([C@H](C)OCC)no1 ZINC001126377968 753036576 /nfs/dbraw/zinc/03/65/76/753036576.db2.gz HCLALRNHVHVKBH-XHDPSFHLSA-N 1 2 326.397 0.700 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3coc(OC)n3)C2)C1=O ZINC001008070909 753272222 /nfs/dbraw/zinc/27/22/22/753272222.db2.gz RGKCFSZFBJKHLS-GXTWGEPZSA-N 1 2 348.403 0.664 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3coc(OC)n3)C2)C1=O ZINC001008070909 753272227 /nfs/dbraw/zinc/27/22/27/753272227.db2.gz RGKCFSZFBJKHLS-GXTWGEPZSA-N 1 2 348.403 0.664 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)[nH]1 ZINC000982692274 753320400 /nfs/dbraw/zinc/32/04/00/753320400.db2.gz LKDNWNYIIBBSCZ-LBPRGKRZSA-N 1 2 340.387 0.821 20 30 ECEDLO O=C(C[C@@H]1CCCO1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083351847 753644870 /nfs/dbraw/zinc/64/48/70/753644870.db2.gz PWJVLFVYJCIFMV-KSZLIROESA-N 1 2 328.412 0.769 20 30 ECEDLO O=C(C[C@@H]1CCCO1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083351847 753644873 /nfs/dbraw/zinc/64/48/73/753644873.db2.gz PWJVLFVYJCIFMV-KSZLIROESA-N 1 2 328.412 0.769 20 30 ECEDLO O=C(C[C@H]1CCCO1)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001083351711 753645364 /nfs/dbraw/zinc/64/53/64/753645364.db2.gz LVCAFATYQQMZGJ-KURKYZTESA-N 1 2 346.402 0.908 20 30 ECEDLO O=C(C[C@H]1CCCO1)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001083351711 753645368 /nfs/dbraw/zinc/64/53/68/753645368.db2.gz LVCAFATYQQMZGJ-KURKYZTESA-N 1 2 346.402 0.908 20 30 ECEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)ccc1F ZINC001008362993 753657695 /nfs/dbraw/zinc/65/76/95/753657695.db2.gz CIMXOVMWUFFQGT-DZGCQCFKSA-N 1 2 345.378 0.459 20 30 ECEDLO N#Cc1cc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)ccc1F ZINC001008362993 753657696 /nfs/dbraw/zinc/65/76/96/753657696.db2.gz CIMXOVMWUFFQGT-DZGCQCFKSA-N 1 2 345.378 0.459 20 30 ECEDLO C[C@@H](CCNC(=O)CSCC#N)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001075678226 754032997 /nfs/dbraw/zinc/03/29/97/754032997.db2.gz RCQQXWFIRDMHRY-QWHCGFSZSA-N 1 2 349.460 0.713 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+]([C@@H]3CCN(CC)C3=O)CC2)nc1 ZINC000989512777 754063989 /nfs/dbraw/zinc/06/39/89/754063989.db2.gz SMMWKMNBOAGDPD-QGZVFWFLSA-N 1 2 340.427 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@H+]([C@@H]3CCN(CC)C3=O)CC2)nc1 ZINC000989512777 754063994 /nfs/dbraw/zinc/06/39/94/754063994.db2.gz SMMWKMNBOAGDPD-QGZVFWFLSA-N 1 2 340.427 0.832 20 30 ECEDLO Cc1nc(NCc2cn([C@H]3CCN(C(=O)[C@@H](C)C#N)C3)nn2)cc[nH+]1 ZINC001051519601 762268104 /nfs/dbraw/zinc/26/81/04/762268104.db2.gz XWCUDQNANIJXBD-FZMZJTMJSA-N 1 2 340.391 0.922 20 30 ECEDLO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1)c1csnn1 ZINC001051524938 762276290 /nfs/dbraw/zinc/27/62/90/762276290.db2.gz YHWOSOQDJHBPNH-ZYHUDNBSSA-N 1 2 346.416 0.930 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3ccn(C)n3)CC2)C1=O ZINC000989665218 754278233 /nfs/dbraw/zinc/27/82/33/754278233.db2.gz AGPHUNDPBJSFNC-OAHLLOKOSA-N 1 2 331.420 0.355 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3ccn(C)n3)CC2)C1=O ZINC000989665218 754278235 /nfs/dbraw/zinc/27/82/35/754278235.db2.gz AGPHUNDPBJSFNC-OAHLLOKOSA-N 1 2 331.420 0.355 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC001009260789 754717463 /nfs/dbraw/zinc/71/74/63/754717463.db2.gz OMAJFZOFOLNBEG-CYBMUJFWSA-N 1 2 330.388 0.034 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001009260789 754717470 /nfs/dbraw/zinc/71/74/70/754717470.db2.gz OMAJFZOFOLNBEG-CYBMUJFWSA-N 1 2 330.388 0.034 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)c1 ZINC001009485985 754941773 /nfs/dbraw/zinc/94/17/73/754941773.db2.gz VYOAWMOJHSQPLC-OSYLJGHBSA-N 1 2 349.394 0.394 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2nc3ncccn3n2)C1 ZINC001009538722 754988283 /nfs/dbraw/zinc/98/82/83/754988283.db2.gz SCJLRFHWEMPDBT-LBPRGKRZSA-N 1 2 334.811 1.000 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2nc3ncccn3n2)C1 ZINC001009538722 754988288 /nfs/dbraw/zinc/98/82/88/754988288.db2.gz SCJLRFHWEMPDBT-LBPRGKRZSA-N 1 2 334.811 1.000 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2nnnn2C2CC2)C1 ZINC001028808569 755197191 /nfs/dbraw/zinc/19/71/91/755197191.db2.gz ALYMMQGRCFUCJZ-CFVMTHIKSA-N 1 2 346.435 0.537 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC001028808569 755197195 /nfs/dbraw/zinc/19/71/95/755197195.db2.gz ALYMMQGRCFUCJZ-CFVMTHIKSA-N 1 2 346.435 0.537 20 30 ECEDLO N#Cc1nccc(NC[C@@H]2CCC[C@H]2NC(=O)CCc2[nH]cc[nH+]2)n1 ZINC001105655398 755205159 /nfs/dbraw/zinc/20/51/59/755205159.db2.gz PQRIFYJFHCBXDD-QWHCGFSZSA-N 1 2 339.403 0.823 20 30 ECEDLO N#Cc1nccc(NC[C@@H]2CCC[C@@H]2NC(=O)CCc2[nH]cc[nH+]2)n1 ZINC001105655399 755205270 /nfs/dbraw/zinc/20/52/70/755205270.db2.gz PQRIFYJFHCBXDD-STQMWFEESA-N 1 2 339.403 0.823 20 30 ECEDLO N#Cc1nccc(NC[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC001060038732 755256737 /nfs/dbraw/zinc/25/67/37/755256737.db2.gz HXDZRMBQEGDXGQ-ZDUSSCGKSA-N 1 2 325.376 0.317 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@@H]1O ZINC001083470778 755318013 /nfs/dbraw/zinc/31/80/13/755318013.db2.gz NAPFOSSQAKZZIW-WCVJEAGWSA-N 1 2 335.404 0.626 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@@H]1O ZINC001083470778 755318017 /nfs/dbraw/zinc/31/80/17/755318017.db2.gz NAPFOSSQAKZZIW-WCVJEAGWSA-N 1 2 335.404 0.626 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@@H]3CCCCO3)C2)nn1 ZINC001098654029 755455975 /nfs/dbraw/zinc/45/59/75/755455975.db2.gz ZNLKKXZISUSHKI-HOTGVXAUSA-N 1 2 331.420 0.734 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)[C@H]1C ZINC001088796035 755717468 /nfs/dbraw/zinc/71/74/68/755717468.db2.gz UWJMVJFURLJBND-VWYCJHECSA-N 1 2 345.241 0.498 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)[C@H]1C ZINC001088796035 755717470 /nfs/dbraw/zinc/71/74/70/755717470.db2.gz UWJMVJFURLJBND-VWYCJHECSA-N 1 2 345.241 0.498 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(CC)C2=O)C[C@@H]1O ZINC001083526458 755923683 /nfs/dbraw/zinc/92/36/83/755923683.db2.gz SVIGAAMKSUSVIM-BMFZPTHFSA-N 1 2 346.431 0.070 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(CC)C2=O)C[C@@H]1O ZINC001083526458 755923685 /nfs/dbraw/zinc/92/36/85/755923685.db2.gz SVIGAAMKSUSVIM-BMFZPTHFSA-N 1 2 346.431 0.070 20 30 ECEDLO C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001010456849 756150993 /nfs/dbraw/zinc/15/09/93/756150993.db2.gz JARXTAAVVPXOSC-DZGCQCFKSA-N 1 2 343.431 0.949 20 30 ECEDLO C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001010456849 756150997 /nfs/dbraw/zinc/15/09/97/756150997.db2.gz JARXTAAVVPXOSC-DZGCQCFKSA-N 1 2 343.431 0.949 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cc(OC)no3)C2)nn1 ZINC001098662153 756163594 /nfs/dbraw/zinc/16/35/94/756163594.db2.gz XZCYJKSVENBPMJ-GFCCVEGCSA-N 1 2 330.348 0.085 20 30 ECEDLO COCc1noc([C@@H](C)[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC001051608314 762456167 /nfs/dbraw/zinc/45/61/67/762456167.db2.gz BRCVXRMCOXLAQV-OCCSQVGLSA-N 1 2 348.403 0.507 20 30 ECEDLO Cc1ncn(C)c1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083545461 756305553 /nfs/dbraw/zinc/30/55/53/756305553.db2.gz REERSGWJVBIQKK-SJORKVTESA-N 1 2 338.411 0.555 20 30 ECEDLO Cc1ncn(C)c1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083545461 756305557 /nfs/dbraw/zinc/30/55/57/756305557.db2.gz REERSGWJVBIQKK-SJORKVTESA-N 1 2 338.411 0.555 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCC[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001076302176 756333548 /nfs/dbraw/zinc/33/35/48/756333548.db2.gz YHLKNRVCVSBUNH-GUYCJALGSA-N 1 2 336.436 0.691 20 30 ECEDLO N#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)[nH]1 ZINC000990894811 756729745 /nfs/dbraw/zinc/72/97/45/756729745.db2.gz ZCFZMBZZRAJMAZ-NSHDSACASA-N 1 2 338.371 0.286 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@]2(C)CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC001011000237 756745944 /nfs/dbraw/zinc/74/59/44/756745944.db2.gz TXSBAVRJKVXOME-AFAVFJNCSA-N 1 2 329.404 0.809 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3CCOCC3)C2)s1 ZINC001076667793 756808190 /nfs/dbraw/zinc/80/81/90/756808190.db2.gz KYDLFSNMJCSRQA-HUUCEWRRSA-N 1 2 335.429 0.708 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CCOCC3)C2)s1 ZINC001076667793 756808196 /nfs/dbraw/zinc/80/81/96/756808196.db2.gz KYDLFSNMJCSRQA-HUUCEWRRSA-N 1 2 335.429 0.708 20 30 ECEDLO C=CCCn1cc(C(=O)NCC[C@H](C)NC(=O)Cn2cc[nH+]c2)nn1 ZINC001076713614 756905225 /nfs/dbraw/zinc/90/52/25/756905225.db2.gz KFHQDBCNYAHTNZ-ZDUSSCGKSA-N 1 2 345.407 0.376 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001076740149 756948581 /nfs/dbraw/zinc/94/85/81/756948581.db2.gz HFUBZFXLEXANTL-CFVMTHIKSA-N 1 2 334.420 0.944 20 30 ECEDLO Cn1ncnc1C[N@H+]1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1 ZINC001048778803 756964345 /nfs/dbraw/zinc/96/43/45/756964345.db2.gz GJRZYADYZWLQDW-BETUJISGSA-N 1 2 325.376 0.219 20 30 ECEDLO Cn1ncnc1C[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1 ZINC001048778803 756964352 /nfs/dbraw/zinc/96/43/52/756964352.db2.gz GJRZYADYZWLQDW-BETUJISGSA-N 1 2 325.376 0.219 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001076763405 757011881 /nfs/dbraw/zinc/01/18/81/757011881.db2.gz OTMLOSFWRQPQEG-HUUCEWRRSA-N 1 2 341.371 0.265 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001076763405 757011889 /nfs/dbraw/zinc/01/18/89/757011889.db2.gz OTMLOSFWRQPQEG-HUUCEWRRSA-N 1 2 341.371 0.265 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C)[nH]3)C[C@@H]2C1 ZINC001048826951 757122162 /nfs/dbraw/zinc/12/21/62/757122162.db2.gz PSVGPJMSJAKWRM-QXSJWSMHSA-N 1 2 345.447 0.985 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C)[nH]3)C[C@@H]2C1 ZINC001048826951 757122166 /nfs/dbraw/zinc/12/21/66/757122166.db2.gz PSVGPJMSJAKWRM-QXSJWSMHSA-N 1 2 345.447 0.985 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)C#CC3CC3)nn2)C1 ZINC001107170958 757210833 /nfs/dbraw/zinc/21/08/33/757210833.db2.gz FSYREYXARIWCDX-UHFFFAOYSA-N 1 2 329.404 0.367 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3=CCCCC3)C2)C1=O ZINC001076811131 757253095 /nfs/dbraw/zinc/25/30/95/757253095.db2.gz ALICANMVNNPUQZ-BRWVUGGUSA-N 1 2 347.459 0.825 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC3=CCCCC3)C2)C1=O ZINC001076811131 757253100 /nfs/dbraw/zinc/25/31/00/757253100.db2.gz ALICANMVNNPUQZ-BRWVUGGUSA-N 1 2 347.459 0.825 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC001011260338 757315223 /nfs/dbraw/zinc/31/52/23/757315223.db2.gz OCAJJYZCMORLDK-DZGCQCFKSA-N 1 2 329.404 0.515 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCOCC(F)(F)F)nn2)C1 ZINC001107183420 757390702 /nfs/dbraw/zinc/39/07/02/757390702.db2.gz NNZGJXLFCAPBNN-UHFFFAOYSA-N 1 2 347.341 0.906 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001048916224 757398114 /nfs/dbraw/zinc/39/81/14/757398114.db2.gz GDRNBRGJMLSTLB-BPUTZDHNSA-N 1 2 346.431 0.278 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001048916224 757398131 /nfs/dbraw/zinc/39/81/31/757398131.db2.gz GDRNBRGJMLSTLB-BPUTZDHNSA-N 1 2 346.431 0.278 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCc3ccnc(C)n3)nn2)C1 ZINC001107190333 757436604 /nfs/dbraw/zinc/43/66/04/757436604.db2.gz RXMWTPMLLORVNU-UHFFFAOYSA-N 1 2 341.419 0.668 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)c[nH]1 ZINC001076907333 757563438 /nfs/dbraw/zinc/56/34/38/757563438.db2.gz LCICBKGWOVVMPB-HUUCEWRRSA-N 1 2 341.396 0.795 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)c[nH]1 ZINC001076907333 757563445 /nfs/dbraw/zinc/56/34/45/757563445.db2.gz LCICBKGWOVVMPB-HUUCEWRRSA-N 1 2 341.396 0.795 20 30 ECEDLO Cn1nnnc1C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C#CC2CC2)C1 ZINC001021585906 757642916 /nfs/dbraw/zinc/64/29/16/757642916.db2.gz XLMLEUVNRQIPPX-LSDHHAIUSA-N 1 2 328.420 0.436 20 30 ECEDLO Cn1nnnc1C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C#CC2CC2)C1 ZINC001021585906 757642922 /nfs/dbraw/zinc/64/29/22/757642922.db2.gz XLMLEUVNRQIPPX-LSDHHAIUSA-N 1 2 328.420 0.436 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@H]3OCC[C@H]3C)nn2)C1 ZINC001107210618 757692704 /nfs/dbraw/zinc/69/27/04/757692704.db2.gz AGAMDNJKTXOHAB-CJNGLKHVSA-N 1 2 349.435 0.379 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@H+](Cc4cnn(C)n4)C[C@@H]3C2)c1 ZINC001049047908 757774147 /nfs/dbraw/zinc/77/41/47/757774147.db2.gz VRJINPIFQWOKAR-IYBDPMFKSA-N 1 2 336.399 0.395 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cnn(C)n4)C[C@@H]3C2)c1 ZINC001049047908 757774152 /nfs/dbraw/zinc/77/41/52/757774152.db2.gz VRJINPIFQWOKAR-IYBDPMFKSA-N 1 2 336.399 0.395 20 30 ECEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)c3cnn(C)c3)CC2)C1 ZINC001105685264 757788548 /nfs/dbraw/zinc/78/85/48/757788548.db2.gz ZEXOOGGPIVQWLR-UHFFFAOYSA-N 1 2 348.447 0.928 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)Cn3cc(Cl)cn3)nn2)C1 ZINC001107216210 757797908 /nfs/dbraw/zinc/79/79/08/757797908.db2.gz YJYJLJBHXJWPQP-UHFFFAOYSA-N 1 2 349.826 0.877 20 30 ECEDLO O=C(NCC[NH2+]C[C@H](O)COCC(F)(F)F)C(F)C(F)(F)F ZINC001127737492 757843456 /nfs/dbraw/zinc/84/34/56/757843456.db2.gz PXVCHCXBEHQYGV-BQBZGAKWSA-N 1 2 344.227 0.532 20 30 ECEDLO O=C(NCC[NH2+]C[C@H](O)COCC(F)(F)F)[C@H](F)C(F)(F)F ZINC001127737492 757843465 /nfs/dbraw/zinc/84/34/65/757843465.db2.gz PXVCHCXBEHQYGV-BQBZGAKWSA-N 1 2 344.227 0.532 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](C)Oc3ccccn3)nn2)C1 ZINC001107230519 757939079 /nfs/dbraw/zinc/93/90/79/757939079.db2.gz LMCHFRRKICOHRI-ZDUSSCGKSA-N 1 2 342.403 0.800 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCCC(=O)NCCC)nn2)C1 ZINC001107232213 757950789 /nfs/dbraw/zinc/95/07/89/757950789.db2.gz WIACMCVCZTYBGZ-UHFFFAOYSA-N 1 2 348.451 0.634 20 30 ECEDLO N#Cc1nccc(NC[C@@H]2CCC[C@H]2NC(=O)CCn2cc[nH+]c2)n1 ZINC001105686781 758018147 /nfs/dbraw/zinc/01/81/47/758018147.db2.gz OMDIPGWOZJFELT-UONOGXRCSA-N 1 2 339.403 0.754 20 30 ECEDLO C=CCCOCC(=O)NC/C=C/CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001107234769 758018832 /nfs/dbraw/zinc/01/88/32/758018832.db2.gz AWZGSXDSHSIJEV-BQYQJAHWSA-N 1 2 334.424 0.923 20 30 ECEDLO C=C1CC(C)(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001049126011 758047502 /nfs/dbraw/zinc/04/75/02/758047502.db2.gz NVZCPCRVVNSKOT-GJZGRUSLSA-N 1 2 346.431 0.660 20 30 ECEDLO C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001049126265 758048998 /nfs/dbraw/zinc/04/89/98/758048998.db2.gz VHPWRHMYXFWHJL-GJZGRUSLSA-N 1 2 334.420 0.660 20 30 ECEDLO CN(C(=O)CCn1cc[nH+]c1)[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O ZINC001049126339 758049221 /nfs/dbraw/zinc/04/92/21/758049221.db2.gz YAYNGHPEZCEHKK-GJZGRUSLSA-N 1 2 346.431 0.353 20 30 ECEDLO C[C@@H](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)NC(=O)C#CC1CC1 ZINC001077104197 758189555 /nfs/dbraw/zinc/18/95/55/758189555.db2.gz SNONMSOJMHYKLD-ZFWWWQNUSA-N 1 2 328.416 0.870 20 30 ECEDLO C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1O ZINC001049181178 758242113 /nfs/dbraw/zinc/24/21/13/758242113.db2.gz XSJFCVWTYMCRLH-UXOAXIEHSA-N 1 2 346.431 0.756 20 30 ECEDLO C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1O ZINC001049181178 758242121 /nfs/dbraw/zinc/24/21/21/758242121.db2.gz XSJFCVWTYMCRLH-UXOAXIEHSA-N 1 2 346.431 0.756 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)Cc1c[nH+]ccc1OC ZINC001077146745 758324699 /nfs/dbraw/zinc/32/46/99/758324699.db2.gz ZVMHZEKZHGJIJO-UGSOOPFHSA-N 1 2 349.431 0.971 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C/C(Cl)=C\Cl)C[C@H]1O ZINC001077159058 758375534 /nfs/dbraw/zinc/37/55/34/758375534.db2.gz MBHLIQZEFCJKID-ZISRIWIASA-N 1 2 346.258 0.564 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C/C(Cl)=C\Cl)C[C@H]1O ZINC001077159058 758375544 /nfs/dbraw/zinc/37/55/44/758375544.db2.gz MBHLIQZEFCJKID-ZISRIWIASA-N 1 2 346.258 0.564 20 30 ECEDLO N#Cc1cncc(NC/C=C\CNC(=O)[C@H]2CCc3[nH+]ccn3C2)n1 ZINC001107393807 758451306 /nfs/dbraw/zinc/45/13/06/758451306.db2.gz GPCVXBVELNWCIK-FYDYADQUSA-N 1 2 337.387 0.892 20 30 ECEDLO N#Cc1cncc(NC/C=C\CNC(=O)[C@H]2CCc3c[nH+]cn3C2)n1 ZINC001107395044 758452408 /nfs/dbraw/zinc/45/24/08/758452408.db2.gz UNEBXSFRYCKCIK-FYDYADQUSA-N 1 2 337.387 0.892 20 30 ECEDLO N#Cc1cnc(NC/C=C/CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)cn1 ZINC001107394786 758452970 /nfs/dbraw/zinc/45/29/70/758452970.db2.gz PNQLHNNDEPTPCZ-ZIYVKSGCSA-N 1 2 337.387 0.892 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C(=O)C(C)(C)C)C1=O ZINC001032320260 758593523 /nfs/dbraw/zinc/59/35/23/758593523.db2.gz DOWLBQBJUUTCAL-IHRRRGAJSA-N 1 2 333.432 0.674 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C(=O)C(C)(C)C)C1=O ZINC001032320260 758593530 /nfs/dbraw/zinc/59/35/30/758593530.db2.gz DOWLBQBJUUTCAL-IHRRRGAJSA-N 1 2 333.432 0.674 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1O ZINC001049449239 758721861 /nfs/dbraw/zinc/72/18/61/758721861.db2.gz CINLTSLEMMFUEB-MPGHIAIKSA-N 1 2 348.447 0.595 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1O ZINC001049450444 758725486 /nfs/dbraw/zinc/72/54/86/758725486.db2.gz XNNORVCJPYQFKZ-MPGHIAIKSA-N 1 2 348.447 0.975 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1O ZINC001049450444 758725493 /nfs/dbraw/zinc/72/54/93/758725493.db2.gz XNNORVCJPYQFKZ-MPGHIAIKSA-N 1 2 348.447 0.975 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)ncn2)C1 ZINC001077376102 758928531 /nfs/dbraw/zinc/92/85/31/758928531.db2.gz WGQSNLRUNBXNQM-GHMZBOCLSA-N 1 2 328.294 0.294 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)ncn2)C1 ZINC001077376102 758928536 /nfs/dbraw/zinc/92/85/36/758928536.db2.gz WGQSNLRUNBXNQM-GHMZBOCLSA-N 1 2 328.294 0.294 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001012008684 759188027 /nfs/dbraw/zinc/18/80/27/759188027.db2.gz OWPNNFJOXFNTIY-ZYHUDNBSSA-N 1 2 326.360 0.571 20 30 ECEDLO Cc1nc[nH]c1C(=O)N(C)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047650984 759412182 /nfs/dbraw/zinc/41/21/82/759412182.db2.gz BRXUNNPOHJQOHH-KBPBESRZSA-N 1 2 345.428 0.969 20 30 ECEDLO Cc1nc[nH]c1C(=O)N(C)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047650984 759412186 /nfs/dbraw/zinc/41/21/86/759412186.db2.gz BRXUNNPOHJQOHH-KBPBESRZSA-N 1 2 345.428 0.969 20 30 ECEDLO N#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+]1CCOCC1)C2 ZINC001054245013 767862084 /nfs/dbraw/zinc/86/20/84/767862084.db2.gz MURRUGQSCCJTQB-MJGOQNOKSA-N 1 2 346.475 0.935 20 30 ECEDLO CCN1CCO[C@@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001032201780 759581590 /nfs/dbraw/zinc/58/15/90/759581590.db2.gz JYSDCGGVTBFSIU-GOSISDBHSA-N 1 2 342.443 0.827 20 30 ECEDLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001050097109 759694118 /nfs/dbraw/zinc/69/41/18/759694118.db2.gz CXQABZWMQZRWLO-RYUDHWBXSA-N 1 2 335.433 0.562 20 30 ECEDLO C[C@H](NC(=O)CCc1[nH]cc[nH+]1)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001050097558 759695522 /nfs/dbraw/zinc/69/55/22/759695522.db2.gz JENCYFROMQJGQK-STQMWFEESA-N 1 2 349.460 0.952 20 30 ECEDLO C#CCOCCC(=O)NCC[NH2+]Cc1nn(C)cc1Br ZINC001127032041 760043806 /nfs/dbraw/zinc/04/38/06/760043806.db2.gz PNHWJXXZPBOWDR-UHFFFAOYSA-N 1 2 343.225 0.428 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001012538342 760227618 /nfs/dbraw/zinc/22/76/18/760227618.db2.gz FHVMJTAIYBOLRD-YPMHNXCESA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001012539590 760234107 /nfs/dbraw/zinc/23/41/07/760234107.db2.gz TYZVTRBWUWKKOY-DGCLKSJQSA-N 1 2 340.387 0.961 20 30 ECEDLO Cn1ncnc1C[NH+]1CCC2(CN(C(=O)c3ccc(C#N)[nH]3)C2)CC1 ZINC001050488378 760347683 /nfs/dbraw/zinc/34/76/83/760347683.db2.gz XGWRTSCXTXUYGZ-UHFFFAOYSA-N 1 2 339.403 0.753 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2snnc2C)C1=O ZINC001032274923 760469746 /nfs/dbraw/zinc/46/97/46/760469746.db2.gz SQRBIUFVBNURDW-AVGNSLFASA-N 1 2 347.444 0.532 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2snnc2C)C1=O ZINC001032274923 760469751 /nfs/dbraw/zinc/46/97/51/760469751.db2.gz SQRBIUFVBNURDW-AVGNSLFASA-N 1 2 347.444 0.532 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nc(-c2ccccc2)no1 ZINC001127051226 760493407 /nfs/dbraw/zinc/49/34/07/760493407.db2.gz DFYBDGRTXPPKNT-ZDUSSCGKSA-N 1 2 328.372 0.981 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(CC)[nH]n2)C1=O ZINC001032290188 760568808 /nfs/dbraw/zinc/56/88/08/760568808.db2.gz NMISBRJGUZBJAY-DZKIICNBSA-N 1 2 343.431 0.658 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(CC)[nH]n2)C1=O ZINC001032290188 760568813 /nfs/dbraw/zinc/56/88/13/760568813.db2.gz NMISBRJGUZBJAY-DZKIICNBSA-N 1 2 343.431 0.658 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2cc[nH]n2)C1=O ZINC001017435008 767982639 /nfs/dbraw/zinc/98/26/39/767982639.db2.gz LXXMTHNJTJUWQS-OWCLPIDISA-N 1 2 343.431 0.414 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2cc[nH]n2)C1=O ZINC001017435008 767982643 /nfs/dbraw/zinc/98/26/43/767982643.db2.gz LXXMTHNJTJUWQS-OWCLPIDISA-N 1 2 343.431 0.414 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2cc[nH]n2)C1=O ZINC001017435009 767982792 /nfs/dbraw/zinc/98/27/92/767982792.db2.gz LXXMTHNJTJUWQS-XHSDSOJGSA-N 1 2 343.431 0.414 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2cc[nH]n2)C1=O ZINC001017435009 767982796 /nfs/dbraw/zinc/98/27/96/767982796.db2.gz LXXMTHNJTJUWQS-XHSDSOJGSA-N 1 2 343.431 0.414 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cc[nH+]c2)c1 ZINC000996010602 760934497 /nfs/dbraw/zinc/93/44/97/760934497.db2.gz RTLIQPJNANHIFR-IPYPFGDCSA-N 1 2 338.371 0.645 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3ccnn3C)nn2)C1 ZINC001107139933 760990904 /nfs/dbraw/zinc/99/09/04/760990904.db2.gz VCBQJSUUQGCLIT-UHFFFAOYSA-N 1 2 345.407 0.001 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H](C)Nc2[nH+]cnc3c2cnn3C)c1 ZINC001098257533 761051718 /nfs/dbraw/zinc/05/17/18/761051718.db2.gz OLZMEOVIKUFLKC-LLVKDONJSA-N 1 2 335.371 0.970 20 30 ECEDLO C#CCOCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001050993510 761289110 /nfs/dbraw/zinc/28/91/10/761289110.db2.gz NKIHTQQASZWPLZ-HUUCEWRRSA-N 1 2 346.431 0.735 20 30 ECEDLO C#CCOCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001050993510 761289114 /nfs/dbraw/zinc/28/91/14/761289114.db2.gz NKIHTQQASZWPLZ-HUUCEWRRSA-N 1 2 346.431 0.735 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(OCC(N)=O)cc1 ZINC001051013803 761336854 /nfs/dbraw/zinc/33/68/54/761336854.db2.gz ZQQIPNILYMPHQK-HNNXBMFYSA-N 1 2 347.415 0.557 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(OCC(N)=O)cc1 ZINC001051013803 761336861 /nfs/dbraw/zinc/33/68/61/761336861.db2.gz ZQQIPNILYMPHQK-HNNXBMFYSA-N 1 2 347.415 0.557 20 30 ECEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)C3(C(=O)NC)CC3)CC2)C1 ZINC001105728446 761362472 /nfs/dbraw/zinc/36/24/72/761362472.db2.gz WNSROKBEHAPORJ-UHFFFAOYSA-N 1 2 335.448 0.781 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC001051046703 761388898 /nfs/dbraw/zinc/38/88/98/761388898.db2.gz SQKSSQQIFICQBU-HRCADAONSA-N 1 2 339.436 0.015 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC001051046703 761388906 /nfs/dbraw/zinc/38/89/06/761388906.db2.gz SQKSSQQIFICQBU-HRCADAONSA-N 1 2 339.436 0.015 20 30 ECEDLO C[C@@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001054543776 768036791 /nfs/dbraw/zinc/03/67/91/768036791.db2.gz QYSJZAITVISQMI-VIRABCJISA-N 1 2 329.404 0.998 20 30 ECEDLO C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001051075359 761443903 /nfs/dbraw/zinc/44/39/03/761443903.db2.gz KEHIPPRRYSXMGB-IRXDYDNUSA-N 1 2 335.448 0.080 20 30 ECEDLO C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001051075359 761443907 /nfs/dbraw/zinc/44/39/07/761443907.db2.gz KEHIPPRRYSXMGB-IRXDYDNUSA-N 1 2 335.448 0.080 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)cn1 ZINC001013469156 761456124 /nfs/dbraw/zinc/45/61/24/761456124.db2.gz KUMNEGKJQHTJHQ-IUODEOHRSA-N 1 2 337.383 0.748 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)nc1 ZINC001013470856 761458405 /nfs/dbraw/zinc/45/84/05/761458405.db2.gz RHMYCAIJMHCAFI-OCCSQVGLSA-N 1 2 337.383 0.748 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001051089226 761471111 /nfs/dbraw/zinc/47/11/11/761471111.db2.gz KPUQSAWGAOMYBB-KBPBESRZSA-N 1 2 333.436 0.313 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001051089226 761471115 /nfs/dbraw/zinc/47/11/15/761471115.db2.gz KPUQSAWGAOMYBB-KBPBESRZSA-N 1 2 333.436 0.313 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(C)c(C(N)=O)cn1 ZINC001051119727 761521061 /nfs/dbraw/zinc/52/10/61/761521061.db2.gz DYCBOWJOYKMUDI-CQSZACIVSA-N 1 2 346.431 0.886 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(C)c(C(N)=O)cn1 ZINC001051119727 761521067 /nfs/dbraw/zinc/52/10/67/761521067.db2.gz DYCBOWJOYKMUDI-CQSZACIVSA-N 1 2 346.431 0.886 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC000991561908 761611200 /nfs/dbraw/zinc/61/12/00/761611200.db2.gz DRERBIKSKCAKSC-KGLIPLIRSA-N 1 2 334.420 0.563 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cn([C@H]2CCOC2)nn1 ZINC001051203286 761680862 /nfs/dbraw/zinc/68/08/62/761680862.db2.gz PRWMMIFLXIPKMY-LSDHHAIUSA-N 1 2 349.435 0.636 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cn([C@H]2CCOC2)nn1 ZINC001051203286 761680867 /nfs/dbraw/zinc/68/08/67/761680867.db2.gz PRWMMIFLXIPKMY-LSDHHAIUSA-N 1 2 349.435 0.636 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CCOCC2)C1=O ZINC001017493891 768057760 /nfs/dbraw/zinc/05/77/60/768057760.db2.gz JFJFACBOOGOVMM-IXDOHACOSA-N 1 2 345.443 0.795 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CCOCC2)C1=O ZINC001017493891 768057765 /nfs/dbraw/zinc/05/77/65/768057765.db2.gz JFJFACBOOGOVMM-IXDOHACOSA-N 1 2 345.443 0.795 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1nc2nc(C)cc(C)n2n1 ZINC001051236694 761735081 /nfs/dbraw/zinc/73/50/81/761735081.db2.gz XVQCOJQPTZUNRD-AWEZNQCLSA-N 1 2 344.419 0.748 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1nc2nc(C)cc(C)n2n1 ZINC001051236694 761735085 /nfs/dbraw/zinc/73/50/85/761735085.db2.gz XVQCOJQPTZUNRD-AWEZNQCLSA-N 1 2 344.419 0.748 20 30 ECEDLO C=CCOCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001051288181 761830921 /nfs/dbraw/zinc/83/09/21/761830921.db2.gz MKLVSUXJRJNIOX-GJZGRUSLSA-N 1 2 334.420 0.829 20 30 ECEDLO Cc1nn[nH]c1C(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001051751099 762874297 /nfs/dbraw/zinc/87/42/97/762874297.db2.gz UMNAMSHQSSGDEJ-OAHLLOKOSA-N 1 2 340.387 0.616 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@H](O)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001105971396 763118130 /nfs/dbraw/zinc/11/81/30/763118130.db2.gz YXCIOHASTKDLKA-GXTWGEPZSA-N 1 2 346.431 0.591 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2O)C1 ZINC000991745709 763153457 /nfs/dbraw/zinc/15/34/57/763153457.db2.gz HNSGEYLATYVRHT-ZIAGYGMSSA-N 1 2 346.431 0.777 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC001046815628 763168228 /nfs/dbraw/zinc/16/82/28/763168228.db2.gz YWPHSGOKGRNEDT-HIFRSBDPSA-N 1 2 329.828 0.567 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC001046815628 763168233 /nfs/dbraw/zinc/16/82/33/763168233.db2.gz YWPHSGOKGRNEDT-HIFRSBDPSA-N 1 2 329.828 0.567 20 30 ECEDLO CN1C[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)NC1=O ZINC001031902569 763473738 /nfs/dbraw/zinc/47/37/38/763473738.db2.gz OMFUUTGDAIINGC-OAHLLOKOSA-N 1 2 345.378 0.269 20 30 ECEDLO Cn1nnc(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC001031905081 763482670 /nfs/dbraw/zinc/48/26/70/763482670.db2.gz WDHIKPBCJGFRST-UHFFFAOYSA-N 1 2 329.339 0.083 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@]3(C)CCCOC3)C2)nn1 ZINC001098756737 763497741 /nfs/dbraw/zinc/49/77/41/763497741.db2.gz CVCSOHRSECCYEH-NVXWUHKLSA-N 1 2 331.420 0.591 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)Cn3cc(C)cn3)C2)CC1 ZINC001051987091 763520760 /nfs/dbraw/zinc/52/07/60/763520760.db2.gz MCRNVERVNXWFOG-QGZVFWFLSA-N 1 2 331.464 0.986 20 30 ECEDLO Cc1nocc1CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001051998249 763550631 /nfs/dbraw/zinc/55/06/31/763550631.db2.gz QANIVHNKCBRJCB-BBRMVZONSA-N 1 2 331.420 0.861 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)CC1 ZINC001052010675 763578040 /nfs/dbraw/zinc/57/80/40/763578040.db2.gz CWPSNHZDOSXEED-CVEARBPZSA-N 1 2 334.464 0.307 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3cccnc3)C2)CC1 ZINC001052014259 763587936 /nfs/dbraw/zinc/58/79/36/763587936.db2.gz DJTJSLBWTNVOKP-GOSISDBHSA-N 1 2 326.444 0.866 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)n3cncn3)C2)CC1 ZINC001052017525 763594155 /nfs/dbraw/zinc/59/41/55/763594155.db2.gz MJJMCKBJUFDEPD-CVEARBPZSA-N 1 2 330.436 0.081 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3nccn3CC)C2)CC1 ZINC001052020609 763602482 /nfs/dbraw/zinc/60/24/82/763602482.db2.gz ILNUVPRENUUYDE-INIZCTEOSA-N 1 2 329.448 0.758 20 30 ECEDLO C[C@@H](C(=O)N(C)C)[NH+]1CCN([C@H]2CCN(C(=O)C#CC3CC3)C2)CC1 ZINC001052025516 763615656 /nfs/dbraw/zinc/61/56/56/763615656.db2.gz GGMVJXCZLNTEEW-RDJZCZTQSA-N 1 2 346.475 0.095 20 30 ECEDLO C[C@@H](C(=O)N(C)C)N1CC[NH+]([C@H]2CCN(C(=O)C#CC3CC3)C2)CC1 ZINC001052025516 763615664 /nfs/dbraw/zinc/61/56/64/763615664.db2.gz GGMVJXCZLNTEEW-RDJZCZTQSA-N 1 2 346.475 0.095 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3nnn(C(C)(C)C)n3)C2)CC1 ZINC001052029816 763626581 /nfs/dbraw/zinc/62/65/81/763626581.db2.gz BZSFNSNYMPVXNV-AWEZNQCLSA-N 1 2 347.467 0.446 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC(=O)N(CC)C3)C2)CC1 ZINC001052035936 763646769 /nfs/dbraw/zinc/64/67/69/763646769.db2.gz UQZBYTOHZVYBBC-IRXDYDNUSA-N 1 2 348.491 0.649 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)Cn3cc(C4CC4)nn3)C2)CC1 ZINC001052036653 763649253 /nfs/dbraw/zinc/64/92/53/763649253.db2.gz RSHMBKUPSRRQLP-INIZCTEOSA-N 1 2 342.447 0.007 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc(C4CC4)o3)C2)CC1 ZINC001052036571 763649598 /nfs/dbraw/zinc/64/95/98/763649598.db2.gz PIUSJPBILHGZBL-AWEZNQCLSA-N 1 2 329.404 0.908 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc4n(n3)CCO4)C2)CC1 ZINC001052037277 763653556 /nfs/dbraw/zinc/65/35/56/763653556.db2.gz JLXJQNQSOLLCHH-AWEZNQCLSA-N 1 2 331.420 0.294 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@H]3CCN(C)C3=O)C2)CC1 ZINC001052040759 763663722 /nfs/dbraw/zinc/66/37/22/763663722.db2.gz JPLSQVDQOVREMC-SJORKVTESA-N 1 2 346.475 0.097 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C2)CC1 ZINC001052040781 763664029 /nfs/dbraw/zinc/66/40/29/763664029.db2.gz KKNXIENZUPYLME-QGZVFWFLSA-N 1 2 342.443 0.241 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cn(C)nc3CC)C2)CC1 ZINC001052041443 763666378 /nfs/dbraw/zinc/66/63/78/763666378.db2.gz IGLJULDZRBSBST-INIZCTEOSA-N 1 2 343.475 0.838 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C)nnc3CC)C2)CC1 ZINC001052045451 763683019 /nfs/dbraw/zinc/68/30/19/763683019.db2.gz UAWAMOXIFGTJMS-MRXNPFEDSA-N 1 2 341.459 0.813 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccn4nccc34)C2)CC1 ZINC001052047520 763691346 /nfs/dbraw/zinc/69/13/46/763691346.db2.gz PMWYCDJGEJLTTH-INIZCTEOSA-N 1 2 337.427 0.800 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C2)CC1 ZINC001052048202 763695670 /nfs/dbraw/zinc/69/56/70/763695670.db2.gz NWPRXFSSISNNTQ-CYBMUJFWSA-N 1 2 328.420 0.254 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)C(=O)Nc3ccccc3)C2)CC1 ZINC001052048214 763695677 /nfs/dbraw/zinc/69/56/77/763695677.db2.gz ODIAGJVOTZVQHB-INIZCTEOSA-N 1 2 341.415 0.367 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccnc(OC)n3)C2)CC1 ZINC001052050153 763705247 /nfs/dbraw/zinc/70/52/47/763705247.db2.gz SDOYNIFSBSXCCI-HNNXBMFYSA-N 1 2 343.431 0.341 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc4nnnn4c3)C2)CC1 ZINC001052050183 763705742 /nfs/dbraw/zinc/70/57/42/763705742.db2.gz SIINAXNSAJMAID-OAHLLOKOSA-N 1 2 341.419 0.142 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(OC)n(C)n3)C2)CC1 ZINC001052050556 763707266 /nfs/dbraw/zinc/70/72/66/763707266.db2.gz XNOXJGRIBWSOAR-OAHLLOKOSA-N 1 2 345.447 0.284 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn(C)ccc3=O)C2)CC1 ZINC001052050478 763707285 /nfs/dbraw/zinc/70/72/85/763707285.db2.gz VLHXDFHKHHRXTJ-MRXNPFEDSA-N 1 2 342.443 0.241 20 30 ECEDLO N#Cc1cccnc1NC[C@H](O)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001106016096 763718069 /nfs/dbraw/zinc/71/80/69/763718069.db2.gz NVMWFHOQPLZXER-JSGCOSHPSA-N 1 2 340.387 0.301 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](OC)c3cnn(C)c3)C2)CC1 ZINC001052054777 763722377 /nfs/dbraw/zinc/72/23/77/763722377.db2.gz CRXONUZJUNKROP-IRXDYDNUSA-N 1 2 347.463 0.512 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3cn(CC)nn3)C2)CC1 ZINC001052055130 763723428 /nfs/dbraw/zinc/72/34/28/763723428.db2.gz IAULOTJLYRXXHW-QGZVFWFLSA-N 1 2 344.463 0.082 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@]3(C)CNC(=O)C3)C2)CC1 ZINC001052057721 763732213 /nfs/dbraw/zinc/73/22/13/763732213.db2.gz RWNWOBMNKXASCS-CRAIPNDOSA-N 1 2 334.464 0.307 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)CC1 ZINC001052059518 763737740 /nfs/dbraw/zinc/73/77/40/763737740.db2.gz JQQPNJMBUWQOKA-ZIAGYGMSSA-N 1 2 340.855 0.094 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN([C@H]3CCNC3=O)CC2)C1 ZINC001052060187 763740007 /nfs/dbraw/zinc/74/00/07/763740007.db2.gz ZIFHJBJALSMOPI-CVEARBPZSA-N 1 2 348.491 0.696 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3CCC(=O)N3C)C2)CC1 ZINC001052061070 763743207 /nfs/dbraw/zinc/74/32/07/763743207.db2.gz RTZUTTUKGRFEKW-DLBZAZTESA-N 1 2 346.475 0.239 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN([C@H]3CCNC3=O)CC2)C1 ZINC001052062916 763748076 /nfs/dbraw/zinc/74/80/76/763748076.db2.gz QJEVKWCOYIZEOB-GJZGRUSLSA-N 1 2 334.464 0.306 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@]3(C)CCC(=O)NC3)C2)CC1 ZINC001052068342 763761580 /nfs/dbraw/zinc/76/15/80/763761580.db2.gz GGHFJRQRDPHGSV-APWZRJJASA-N 1 2 348.491 0.697 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H](N3CC[NH+](CC#CC)CC3)C2)c1 ZINC001052082846 763802976 /nfs/dbraw/zinc/80/29/76/763802976.db2.gz XRGJMZHCJICMTF-IBGZPJMESA-N 1 2 336.439 0.918 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC(=O)N(CCC)C3)C2)CC1 ZINC001052089638 763824545 /nfs/dbraw/zinc/82/45/45/763824545.db2.gz SDLHPTJLHIKUEU-IRXDYDNUSA-N 1 2 346.475 0.097 20 30 ECEDLO CN(C)c1cc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)ccn1 ZINC001052093056 763834445 /nfs/dbraw/zinc/83/44/45/763834445.db2.gz JNMJNYXMWUXMFK-INIZCTEOSA-N 1 2 342.447 0.503 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(COC)on3)C2)CC1 ZINC001052094173 763839913 /nfs/dbraw/zinc/83/99/13/763839913.db2.gz ZGQYFLBRLWIYNQ-CQSZACIVSA-N 1 2 332.404 0.286 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(COC)on3)C2)CC1 ZINC001052094173 763839924 /nfs/dbraw/zinc/83/99/24/763839924.db2.gz ZGQYFLBRLWIYNQ-CQSZACIVSA-N 1 2 332.404 0.286 20 30 ECEDLO C#Cc1cncc(C(=O)NCC2C[NH+](Cc3c(C)nnn3CC)C2)c1 ZINC001031965725 763842452 /nfs/dbraw/zinc/84/24/52/763842452.db2.gz SAMAUBQABSIKER-UHFFFAOYSA-N 1 2 338.415 0.845 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn4ccccc34)C2)CC1 ZINC001052097992 763852053 /nfs/dbraw/zinc/85/20/53/763852053.db2.gz BCEUUPXQPKJKKL-MRXNPFEDSA-N 1 2 337.427 0.800 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)COc3cccnc3)C2)CC1 ZINC001052098918 763856228 /nfs/dbraw/zinc/85/62/28/763856228.db2.gz QQJVFDTXIFSEGI-MRXNPFEDSA-N 1 2 328.416 0.312 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3coc(CC4CC4)n3)C2)CC1 ZINC001052103317 763869869 /nfs/dbraw/zinc/86/98/69/763869869.db2.gz PHNWHVMVGJEKKL-OAHLLOKOSA-N 1 2 343.431 0.983 20 30 ECEDLO CCCc1nc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)co1 ZINC001052106082 763878977 /nfs/dbraw/zinc/87/89/77/763878977.db2.gz APBSAPBLBQUKOP-CQSZACIVSA-N 1 2 331.420 0.983 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c4c(nn3C)CCC4)C2)CC1 ZINC001052106349 763879900 /nfs/dbraw/zinc/87/99/00/763879900.db2.gz ITGUCGYFZIWIGE-OAHLLOKOSA-N 1 2 341.459 0.374 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cnn(CC)c3)C2)CC1 ZINC001052106298 763880038 /nfs/dbraw/zinc/88/00/38/763880038.db2.gz HHIHVYAHJRUMMI-GOSISDBHSA-N 1 2 343.475 0.687 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cn(CC)cn3)C2)CC1 ZINC001052108959 763893377 /nfs/dbraw/zinc/89/33/77/763893377.db2.gz UWVUYOGETCIPSI-INIZCTEOSA-N 1 2 329.448 0.758 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)c(F)c1 ZINC001031981895 763958735 /nfs/dbraw/zinc/95/87/35/763958735.db2.gz XGFHELIEVHQHFF-KGLIPLIRSA-N 1 2 330.363 0.367 20 30 ECEDLO CN(C(=O)[C@H]1CCOC1)[C@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001047321679 763988655 /nfs/dbraw/zinc/98/86/55/763988655.db2.gz ITMPNSMIWAVSTK-SZMVWBNQSA-N 1 2 346.402 0.717 20 30 ECEDLO CN(C(=O)[C@H]1CCOC1)[C@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001047321679 763988659 /nfs/dbraw/zinc/98/86/59/763988659.db2.gz ITMPNSMIWAVSTK-SZMVWBNQSA-N 1 2 346.402 0.717 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2=CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)cn1 ZINC001017606041 768181305 /nfs/dbraw/zinc/18/13/05/768181305.db2.gz JUCPACFUMXPCEI-UHFFFAOYSA-N 1 2 349.394 0.917 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)[nH]c2ncn(C)c21 ZINC001017607948 768182616 /nfs/dbraw/zinc/18/26/16/768182616.db2.gz FCWHKKAUVJMGJP-BETUJISGSA-N 1 2 339.399 0.986 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)[nH]c2ncn(C)c21 ZINC001017607948 768182618 /nfs/dbraw/zinc/18/26/18/768182618.db2.gz FCWHKKAUVJMGJP-BETUJISGSA-N 1 2 339.399 0.986 20 30 ECEDLO C=CCOCC(=O)N1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 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331.460 0.796 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001016368522 766193297 /nfs/dbraw/zinc/19/32/97/766193297.db2.gz BOIUGRLWKRJKFG-UHFFFAOYSA-N 1 2 340.387 0.880 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COCCN1CC(F)F ZINC001017770176 768356944 /nfs/dbraw/zinc/35/69/44/768356944.db2.gz ZEOPLTKYSCVUSL-MJBXVCDLSA-N 1 2 327.375 0.261 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COCCN1CC(F)F ZINC001017770176 768356951 /nfs/dbraw/zinc/35/69/51/768356951.db2.gz ZEOPLTKYSCVUSL-MJBXVCDLSA-N 1 2 327.375 0.261 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@]1(C)CCN(C(C)=O)C1)CCO2 ZINC001053501229 766242514 /nfs/dbraw/zinc/24/25/14/766242514.db2.gz KXYZTICFOPXKAQ-KRWDZBQOSA-N 1 2 335.448 0.734 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CNC(=O)CSCC#N ZINC001053504887 766251184 /nfs/dbraw/zinc/25/11/84/766251184.db2.gz VOHVNFJNQCHNJQ-VXGBXAGGSA-N 1 2 335.433 0.420 20 30 ECEDLO C[C@H](CCNc1ccnc(C#N)n1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001106485665 768366425 /nfs/dbraw/zinc/36/64/25/768366425.db2.gz RNXAVWZZJADABP-OLZOCXBDSA-N 1 2 339.403 0.536 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cn(CCOC)nc1C)O2 ZINC001053599725 766406567 /nfs/dbraw/zinc/40/65/67/766406567.db2.gz XUGVVURDCUNROF-HNNXBMFYSA-N 1 2 348.447 0.987 20 30 ECEDLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C#CC1CC1 ZINC001212250590 766409667 /nfs/dbraw/zinc/40/96/67/766409667.db2.gz CCSFPMUYTVSFNL-FVQBIDKESA-N 1 2 335.448 0.471 20 30 ECEDLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C#CC1CC1 ZINC001212250590 766409674 /nfs/dbraw/zinc/40/96/74/766409674.db2.gz CCSFPMUYTVSFNL-FVQBIDKESA-N 1 2 335.448 0.471 20 30 ECEDLO C=CCn1cc(C(=O)N(C)C2CC(NC(=O)Cc3c[nH]c[nH+]3)C2)nn1 ZINC001016522287 766426435 /nfs/dbraw/zinc/42/64/35/766426435.db2.gz HODZGAQMMGROIO-UHFFFAOYSA-N 1 2 343.391 0.149 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCn3ccnc3C1)O2 ZINC001053619164 766448085 /nfs/dbraw/zinc/44/80/85/766448085.db2.gz MOQZAXUKLLBDJK-CABCVRRESA-N 1 2 330.432 0.981 20 30 ECEDLO CC#CCN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCc3c[nH+]cn3C1)O2 ZINC001053619908 766451903 /nfs/dbraw/zinc/45/19/03/766451903.db2.gz ZHDLEQGLDUIWBJ-NVXWUHKLSA-N 1 2 342.443 0.818 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(OC)n(C)n1)O2 ZINC001053626472 766468585 /nfs/dbraw/zinc/46/85/85/766468585.db2.gz XEDBGRLPLHMBCF-CYBMUJFWSA-N 1 2 334.420 0.968 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCc3nncn3CC1)O2 ZINC001053632223 766480212 /nfs/dbraw/zinc/48/02/12/766480212.db2.gz VKICNFJKLGUHSG-GJZGRUSLSA-N 1 2 345.447 0.766 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CCC3(C[NH+](CCOC)C3)O2)c1 ZINC001053662485 766535114 /nfs/dbraw/zinc/53/51/14/766535114.db2.gz OAPNFCIJYYMQGD-MRXNPFEDSA-N 1 2 329.400 0.673 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1nc3ncccn3n1)O2 ZINC001053677688 766561419 /nfs/dbraw/zinc/56/14/19/766561419.db2.gz GRXMJYABRFLDOO-GFCCVEGCSA-N 1 2 328.376 0.274 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(C(N)=O)s1)O2 ZINC001053678553 766564431 /nfs/dbraw/zinc/56/44/31/766564431.db2.gz GFBMAVCTGDWJSA-LLVKDONJSA-N 1 2 335.429 0.996 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCN(C(C)=O)C1)O2 ZINC001053689935 766595659 /nfs/dbraw/zinc/59/56/59/766595659.db2.gz FWFZWDDSEVXNOK-CVEARBPZSA-N 1 2 335.448 0.781 20 30 ECEDLO C[C@H](CC(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F)n1cc[nH+]c1 ZINC001106132066 766603553 /nfs/dbraw/zinc/60/35/53/766603553.db2.gz RGMGVCSBJMZERC-DGCLKSJQSA-N 1 2 346.366 0.829 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCc3nncn3C1)O2 ZINC001053701127 766622361 /nfs/dbraw/zinc/62/23/61/766622361.db2.gz MYOYSRQKFHIOFJ-GJZGRUSLSA-N 1 2 345.447 0.766 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccc(C(N)=O)n1)O2 ZINC001053701934 766624749 /nfs/dbraw/zinc/62/47/49/766624749.db2.gz JOGPRRMLUDEPQQ-CYBMUJFWSA-N 1 2 344.415 0.720 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)O2 ZINC001053704099 766628825 /nfs/dbraw/zinc/62/88/25/766628825.db2.gz VVSKYVJWBQHWRF-ZDUSSCGKSA-N 1 2 330.388 0.330 20 30 ECEDLO Cc1nnc(C[N@H+]2CC[C@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)s1 ZINC001046013367 766642472 /nfs/dbraw/zinc/64/24/72/766642472.db2.gz XJVUWBFIDKEXOP-OCCSQVGLSA-N 1 2 348.476 0.725 20 30 ECEDLO Cc1nnc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)s1 ZINC001046013367 766642478 /nfs/dbraw/zinc/64/24/78/766642478.db2.gz XJVUWBFIDKEXOP-OCCSQVGLSA-N 1 2 348.476 0.725 20 30 ECEDLO CN1C[C@H](C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)CC1=O ZINC001031710040 766669130 /nfs/dbraw/zinc/66/91/30/766669130.db2.gz VFXSVIXPRPDGND-OAHLLOKOSA-N 1 2 344.390 0.724 20 30 ECEDLO O=C(C#CC1CC1)N1CCN([C@H]2CC[N@H+](Cc3cnon3)C2)CC1 ZINC001046026027 766681258 /nfs/dbraw/zinc/68/12/58/766681258.db2.gz BBWUGPPCGXKNNK-INIZCTEOSA-N 1 2 329.404 0.202 20 30 ECEDLO O=C(C#CC1CC1)N1CCN([C@H]2CC[N@@H+](Cc3cnon3)C2)CC1 ZINC001046026027 766681262 /nfs/dbraw/zinc/68/12/62/766681262.db2.gz BBWUGPPCGXKNNK-INIZCTEOSA-N 1 2 329.404 0.202 20 30 ECEDLO CN1C[C@H](C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)CC1=O ZINC001031712239 766686900 /nfs/dbraw/zinc/68/69/00/766686900.db2.gz UCRYGBKZWVJQED-OAHLLOKOSA-N 1 2 344.390 0.724 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+]([C@H](C)c2cnccn2)C[C@H]1OC ZINC001212262656 766692484 /nfs/dbraw/zinc/69/24/84/766692484.db2.gz UVPRXPHTYHTOBC-FVQBIDKESA-N 1 2 332.404 0.393 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2cnccn2)C[C@H]1OC ZINC001212262656 766692487 /nfs/dbraw/zinc/69/24/87/766692487.db2.gz UVPRXPHTYHTOBC-FVQBIDKESA-N 1 2 332.404 0.393 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cnn4ncccc34)CC2)C1 ZINC001046036238 766725574 /nfs/dbraw/zinc/72/55/74/766725574.db2.gz DLFDRDXXICZPDR-AWEZNQCLSA-N 1 2 339.403 0.085 20 30 ECEDLO CN(C)c1ccc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)cn1 ZINC001046042795 766758150 /nfs/dbraw/zinc/75/81/50/766758150.db2.gz MYVPLZCJAGACGF-MRXNPFEDSA-N 1 2 342.447 0.503 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)CCc3ccc(=O)[nH]c3)CC2)C1 ZINC001046055956 766807930 /nfs/dbraw/zinc/80/79/30/766807930.db2.gz LPPBGRBGLILBGH-INIZCTEOSA-N 1 2 343.431 0.462 20 30 ECEDLO C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)C1 ZINC001046066214 766853649 /nfs/dbraw/zinc/85/36/49/766853649.db2.gz ALACXDOHFVQVNL-OAHLLOKOSA-N 1 2 327.432 0.752 20 30 ECEDLO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)C1 ZINC001046066214 766853660 /nfs/dbraw/zinc/85/36/60/766853660.db2.gz ALACXDOHFVQVNL-OAHLLOKOSA-N 1 2 327.432 0.752 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)COc3cccnc3)CC2)C1 ZINC001046071812 766879980 /nfs/dbraw/zinc/87/99/80/766879980.db2.gz NNZQINXFMWXIAE-OAHLLOKOSA-N 1 2 329.404 0.202 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nc1 ZINC000994823977 766894779 /nfs/dbraw/zinc/89/47/79/766894779.db2.gz YWFPSMCALKPCSZ-ZIAGYGMSSA-N 1 2 335.367 0.530 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nc1 ZINC000994823977 766894791 /nfs/dbraw/zinc/89/47/91/766894791.db2.gz YWFPSMCALKPCSZ-ZIAGYGMSSA-N 1 2 335.367 0.530 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cc4c([nH]3)CCC4)CC2)C1 ZINC001046076734 766905210 /nfs/dbraw/zinc/90/52/10/766905210.db2.gz IMNMXSGOJXDSHH-OAHLLOKOSA-N 1 2 327.432 0.859 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cnn(CC4CC4)c3)CC2)C1 ZINC001046076719 766905599 /nfs/dbraw/zinc/90/55/99/766905599.db2.gz IFRUAOSPMWHJHD-KRWDZBQOSA-N 1 2 342.447 0.649 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@H]3CCc4n[nH]cc4C3)CC2)C1 ZINC001046077043 766906840 /nfs/dbraw/zinc/90/68/40/766906840.db2.gz RCLJFGOXHRMFAH-HOCLYGCPSA-N 1 2 342.447 0.257 20 30 ECEDLO Cn1cc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)c(Cl)n1 ZINC001046078428 766910870 /nfs/dbraw/zinc/91/08/70/766910870.db2.gz XHPPCEQVVRZSSH-GFCCVEGCSA-N 1 2 336.827 0.429 20 30 ECEDLO C#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)C1 ZINC001046081917 766920814 /nfs/dbraw/zinc/92/08/14/766920814.db2.gz LWCKWCCSUMQYHH-HNNXBMFYSA-N 1 2 338.415 0.423 20 30 ECEDLO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)C1 ZINC001046081917 766920817 /nfs/dbraw/zinc/92/08/17/766920817.db2.gz LWCKWCCSUMQYHH-HNNXBMFYSA-N 1 2 338.415 0.423 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)CCc3cscn3)CC2)C1 ZINC001046085823 766928074 /nfs/dbraw/zinc/92/80/74/766928074.db2.gz RMYACMTUYIJWJI-OAHLLOKOSA-N 1 2 333.461 0.818 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000994843831 766934847 /nfs/dbraw/zinc/93/48/47/766934847.db2.gz DCMARJXTFBFHHK-UHFFFAOYSA-N 1 2 339.355 0.473 20 30 ECEDLO C=CCC1(C(=O)NCC2(O)CN(C(=O)CCc3c[nH]c[nH+]3)C2)CCC1 ZINC001046126238 766957262 /nfs/dbraw/zinc/95/72/62/766957262.db2.gz BSNDAJAVXYVRSG-UHFFFAOYSA-N 1 2 346.431 0.778 20 30 ECEDLO C=CCC1(C(=O)NCC2(O)CN(C(=O)CCc3c[nH+]c[nH]3)C2)CCC1 ZINC001046126238 766957269 /nfs/dbraw/zinc/95/72/69/766957269.db2.gz BSNDAJAVXYVRSG-UHFFFAOYSA-N 1 2 346.431 0.778 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC000994846123 766961001 /nfs/dbraw/zinc/96/10/01/766961001.db2.gz SAIHFAGGDJOVIP-CABCVRRESA-N 1 2 345.399 0.551 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cncc(COC)c1)CO2 ZINC001053832806 766970704 /nfs/dbraw/zinc/97/07/04/766970704.db2.gz ONYGDORDLFVPDL-MRXNPFEDSA-N 1 2 329.400 0.824 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc3n1CCOC3)CO2 ZINC001053834685 766974068 /nfs/dbraw/zinc/97/40/68/766974068.db2.gz TZEDZMVDRUPWSB-CYBMUJFWSA-N 1 2 332.404 0.563 20 30 ECEDLO C[C@@H]1OCCO[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031743205 767000936 /nfs/dbraw/zinc/00/09/36/767000936.db2.gz INZFHZKXPYWREZ-GUYCJALGSA-N 1 2 329.400 0.910 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC3N=NC(=O)N3C1)CO2 ZINC001053851004 767017380 /nfs/dbraw/zinc/01/73/80/767017380.db2.gz IOWGHTJQFHBHBD-OLZOCXBDSA-N 1 2 347.419 0.082 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc3n(n1)CCCO3)CO2 ZINC001053868000 767079452 /nfs/dbraw/zinc/07/94/52/767079452.db2.gz ZLQSKZFOMVDRIE-ZDUSSCGKSA-N 1 2 332.404 0.815 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1ncc3cccnc31)CO2 ZINC001053873538 767099307 /nfs/dbraw/zinc/09/93/07/767099307.db2.gz BGRWWWRBTXEXMT-HNNXBMFYSA-N 1 2 339.399 0.414 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c[nH]nc1[C@@H]1CCOC1)CO2 ZINC001053881558 767150522 /nfs/dbraw/zinc/15/05/22/767150522.db2.gz LXZWYOBONVXOOA-ZIAGYGMSSA-N 1 2 344.415 0.510 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2cn(C)nn2)C1 ZINC001046327235 767150623 /nfs/dbraw/zinc/15/06/23/767150623.db2.gz IMZJVRAEMYQCEC-VYDXJSESSA-N 1 2 333.436 0.877 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2cn(C)nn2)C1 ZINC001046327235 767150627 /nfs/dbraw/zinc/15/06/27/767150627.db2.gz IMZJVRAEMYQCEC-VYDXJSESSA-N 1 2 333.436 0.877 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2ccn(C(F)F)n2)[C@H](OC)C1 ZINC001212323673 767217251 /nfs/dbraw/zinc/21/72/51/767217251.db2.gz ZJZYJVUSPVPEBL-CHWSQXEVSA-N 1 2 342.346 0.357 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2ccn(C(F)F)n2)[C@H](OC)C1 ZINC001212323673 767217257 /nfs/dbraw/zinc/21/72/57/767217257.db2.gz ZJZYJVUSPVPEBL-CHWSQXEVSA-N 1 2 342.346 0.357 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccn3nnnc3c1)CO2 ZINC001053890453 767241209 /nfs/dbraw/zinc/24/12/09/767241209.db2.gz HDSHIOBLQUTUQF-ZDUSSCGKSA-N 1 2 328.376 0.274 20 30 ECEDLO N#CCOc1ccc(C[NH+]2CC(CNC(=O)c3cn[nH]n3)C2)cc1 ZINC001031805863 767242359 /nfs/dbraw/zinc/24/23/59/767242359.db2.gz WYTWZIKLSQYZSF-UHFFFAOYSA-N 1 2 326.360 0.569 20 30 ECEDLO N#CCOc1ccc(C[NH+]2CC(CNC(=O)c3cnn[nH]3)C2)cc1 ZINC001031805863 767242361 /nfs/dbraw/zinc/24/23/61/767242361.db2.gz WYTWZIKLSQYZSF-UHFFFAOYSA-N 1 2 326.360 0.569 20 30 ECEDLO C[C@]1(NC(=O)[C@H]2CCNC2=O)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046540314 767290835 /nfs/dbraw/zinc/29/08/35/767290835.db2.gz WQBCKHRFXSGKSI-YJBOKZPZSA-N 1 2 344.390 0.914 20 30 ECEDLO C[C@]1(NC(=O)[C@H]2CCNC2=O)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046540314 767290837 /nfs/dbraw/zinc/29/08/37/767290837.db2.gz WQBCKHRFXSGKSI-YJBOKZPZSA-N 1 2 344.390 0.914 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c[nH]nc1[C@@H]1CCCO1)CO2 ZINC001053904278 767310784 /nfs/dbraw/zinc/31/07/84/767310784.db2.gz JLXBYTNSEFYRNI-HIFRSBDPSA-N 1 2 344.415 0.858 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3nnnn3CC1)CO2 ZINC001053931672 767393058 /nfs/dbraw/zinc/39/30/58/767393058.db2.gz CDWIFDFLSGGAEQ-ZIAGYGMSSA-N 1 2 346.435 0.161 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001046628742 767394867 /nfs/dbraw/zinc/39/48/67/767394867.db2.gz PDLHGSQNUMQXDC-GBIKHYSHSA-N 1 2 330.226 0.597 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001046628742 767394879 /nfs/dbraw/zinc/39/48/79/767394879.db2.gz PDLHGSQNUMQXDC-GBIKHYSHSA-N 1 2 330.226 0.597 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1ccc(C)cc1=O)CO2 ZINC001053944653 767418637 /nfs/dbraw/zinc/41/86/37/767418637.db2.gz DZQQWBWEOCPPLK-HNNXBMFYSA-N 1 2 329.400 0.140 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@@H]2COC3(C[NH+](C[C@H](C)O)C3)C2)cc1 ZINC001053946461 767424720 /nfs/dbraw/zinc/42/47/20/767424720.db2.gz WYWSRUWSAVSHRM-HOCLYGCPSA-N 1 2 344.411 0.653 20 30 ECEDLO Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC001106158238 767424887 /nfs/dbraw/zinc/42/48/87/767424887.db2.gz QVAWTFWNXMFMHR-YNEHKIRRSA-N 1 2 341.375 0.073 20 30 ECEDLO Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1 ZINC001106158238 767424889 /nfs/dbraw/zinc/42/48/89/767424889.db2.gz QVAWTFWNXMFMHR-YNEHKIRRSA-N 1 2 341.375 0.073 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C1CC1)CO2 ZINC001053949438 767431537 /nfs/dbraw/zinc/43/15/37/767431537.db2.gz HIZNZYFGDZZXBH-CVEARBPZSA-N 1 2 345.443 0.370 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2COC3(C[NH+](C[C@H](C)OC)C3)C2)nn1 ZINC001053949205 767431995 /nfs/dbraw/zinc/43/19/95/767431995.db2.gz AKQMVOPTAVICHK-QWHCGFSZSA-N 1 2 335.408 0.072 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060464041 767501167 /nfs/dbraw/zinc/50/11/67/767501167.db2.gz NDZXAKJACMCUKA-BMFZPTHFSA-N 1 2 346.431 0.898 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001053985577 767534384 /nfs/dbraw/zinc/53/43/84/767534384.db2.gz TZDSRYLJCJCCRJ-CQSZACIVSA-N 1 2 345.399 0.049 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1COc3ccccc3O1)CO2 ZINC001053996049 767554657 /nfs/dbraw/zinc/55/46/57/767554657.db2.gz AHZKAYKMPMHOLP-PBHICJAKSA-N 1 2 342.395 0.809 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cn1c(C)csc1=O)CO2 ZINC001054003990 767569916 /nfs/dbraw/zinc/56/99/16/767569916.db2.gz DWYLYQOEMMLAOP-ZDUSSCGKSA-N 1 2 337.445 0.754 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3nnc(C)n3C1)CO2 ZINC001054015202 767603000 /nfs/dbraw/zinc/60/30/00/767603000.db2.gz CSTOCCIHKSJWIC-LSDHHAIUSA-N 1 2 343.431 0.132 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)N1CCCCC1=O)CO2 ZINC001054016409 767607230 /nfs/dbraw/zinc/60/72/30/767607230.db2.gz BUJOIKMQKUAEPX-HUUCEWRRSA-N 1 2 333.432 0.370 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C(N)=O)cn1)CO2 ZINC001054021500 767616243 /nfs/dbraw/zinc/61/62/43/767616243.db2.gz MWEJFGSVNGMWIM-ZDUSSCGKSA-N 1 2 330.388 0.330 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3c(C)noc3CC)C2)nn1 ZINC001098780381 767635004 /nfs/dbraw/zinc/63/50/04/767635004.db2.gz UOUKTEORWRDTSA-CQSZACIVSA-N 1 2 342.403 0.947 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCN(C)C1=O ZINC001054049515 767648755 /nfs/dbraw/zinc/64/87/55/767648755.db2.gz AOISMTOBPUQXMT-IAGOWNOFSA-N 1 2 325.412 0.641 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CCN(C)C1=O ZINC001054049515 767648759 /nfs/dbraw/zinc/64/87/59/767648759.db2.gz AOISMTOBPUQXMT-IAGOWNOFSA-N 1 2 325.412 0.641 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC000992841624 767675966 /nfs/dbraw/zinc/67/59/66/767675966.db2.gz VBKQSKNCBVHUPN-IIYDPXPESA-N 1 2 329.404 0.809 20 30 ECEDLO C[C@@H](CCNc1ccnc(C#N)n1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001106570666 768440833 /nfs/dbraw/zinc/44/08/33/768440833.db2.gz WJBLGIGIJNUXLX-YNEHKIRRSA-N 1 2 339.403 0.614 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001017851913 768469049 /nfs/dbraw/zinc/46/90/49/768469049.db2.gz JYXSXUWOMCCUGG-TXEJJXNPSA-N 1 2 325.372 0.976 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001017851913 768469054 /nfs/dbraw/zinc/46/90/54/768469054.db2.gz JYXSXUWOMCCUGG-TXEJJXNPSA-N 1 2 325.372 0.976 20 30 ECEDLO N#Cc1cnc(N[C@@H]2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]23)cn1 ZINC001060541412 768656661 /nfs/dbraw/zinc/65/66/61/768656661.db2.gz OFILZNCELYJGCR-MRVWCRGKSA-N 1 2 337.387 0.963 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001055381030 768838848 /nfs/dbraw/zinc/83/88/48/768838848.db2.gz PSGJARWASBUWFP-KFWWJZLASA-N 1 2 332.404 0.391 20 30 ECEDLO C#CCOc1ncccc1C(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001031276227 769042019 /nfs/dbraw/zinc/04/20/19/769042019.db2.gz QWWRMERPWQLKSP-UHFFFAOYSA-N 1 2 325.372 0.441 20 30 ECEDLO C=CCC(C)(C)C(=O)NCC[NH+]1CCC(NC(=O)c2ncn[nH]2)CC1 ZINC001055577211 769166640 /nfs/dbraw/zinc/16/66/40/769166640.db2.gz BRWHBLSWHZOSKS-UHFFFAOYSA-N 1 2 348.451 0.717 20 30 ECEDLO C=CCC(C)(C)C(=O)NCC[NH+]1CCC(NC(=O)c2nc[nH]n2)CC1 ZINC001055577211 769166645 /nfs/dbraw/zinc/16/66/45/769166645.db2.gz BRWHBLSWHZOSKS-UHFFFAOYSA-N 1 2 348.451 0.717 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)C3=COCCO3)C2)CC1 ZINC001018359106 769188107 /nfs/dbraw/zinc/18/81/07/769188107.db2.gz YZQZVYIDWDSLJQ-HNNXBMFYSA-N 1 2 349.431 0.443 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)CC3(O)CCC3)C2)CC1 ZINC001018364491 769205791 /nfs/dbraw/zinc/20/57/91/769205791.db2.gz UKQJUPMYMYFSJE-MRXNPFEDSA-N 1 2 349.475 0.860 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H]1C ZINC000993522120 769219755 /nfs/dbraw/zinc/21/97/55/769219755.db2.gz PIBHHEQOHFEQND-KBPBESRZSA-N 1 2 342.871 0.482 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H]1C ZINC000993522120 769219760 /nfs/dbraw/zinc/21/97/60/769219760.db2.gz PIBHHEQOHFEQND-KBPBESRZSA-N 1 2 342.871 0.482 20 30 ECEDLO C=C[C@H](CC)CC(=O)NC1CC[NH+](CCNC(=O)c2ncn[nH]2)CC1 ZINC001055614800 769260940 /nfs/dbraw/zinc/26/09/40/769260940.db2.gz KVNBEJLLNRTTTE-CYBMUJFWSA-N 1 2 348.451 0.717 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NCC[NH+]1CCC(NC(=O)c2nc[nH]n2)CC1 ZINC001055620298 769271480 /nfs/dbraw/zinc/27/14/80/769271480.db2.gz PCGJDTXTHUNOBF-ZDUSSCGKSA-N 1 2 348.451 0.717 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@H]1C ZINC000993574649 769278537 /nfs/dbraw/zinc/27/85/37/769278537.db2.gz VKNHMCANBJFRDB-VXGBXAGGSA-N 1 2 340.811 0.671 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@H]1C ZINC000993574649 769278542 /nfs/dbraw/zinc/27/85/42/769278542.db2.gz VKNHMCANBJFRDB-VXGBXAGGSA-N 1 2 340.811 0.671 20 30 ECEDLO C=CCCC(=O)NC1CC[NH+](CCNC(=O)C2=NC(=O)N(C)C2)CC1 ZINC001055633701 769311637 /nfs/dbraw/zinc/31/16/37/769311637.db2.gz ZOCVXSCBKXIGHO-UHFFFAOYSA-N 1 2 349.435 0.402 20 30 ECEDLO C[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001018440435 769350484 /nfs/dbraw/zinc/35/04/84/769350484.db2.gz LZXPFQVPYONNKO-AAEUAGOBSA-N 1 2 340.387 0.961 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC3CC3)[C@H]2C)c1 ZINC000993771001 769592965 /nfs/dbraw/zinc/59/29/65/769592965.db2.gz KILLMZLXUKKDBM-SUMWQHHRSA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NC3CC3)[C@H]2C)c1 ZINC000993771001 769592973 /nfs/dbraw/zinc/59/29/73/769592973.db2.gz KILLMZLXUKKDBM-SUMWQHHRSA-N 1 2 340.427 0.924 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)[C@H]2C)cc1 ZINC000993932395 769847767 /nfs/dbraw/zinc/84/77/67/769847767.db2.gz HKMDTGQAPDWYRO-XJKSGUPXSA-N 1 2 329.400 0.767 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)[C@H]2C)cc1 ZINC000993932395 769847777 /nfs/dbraw/zinc/84/77/77/769847777.db2.gz HKMDTGQAPDWYRO-XJKSGUPXSA-N 1 2 329.400 0.767 20 30 ECEDLO C#CCC[N@H+]1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H]1C ZINC000994005889 769994147 /nfs/dbraw/zinc/99/41/47/769994147.db2.gz IKLRBASNIZHCGX-JSGCOSHPSA-N 1 2 342.403 0.064 20 30 ECEDLO C#CCC[N@@H+]1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H]1C ZINC000994005889 769994156 /nfs/dbraw/zinc/99/41/56/769994156.db2.gz IKLRBASNIZHCGX-JSGCOSHPSA-N 1 2 342.403 0.064 20 30 ECEDLO CCc1nc(C#N)cc(N2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)n1 ZINC001055870274 770041359 /nfs/dbraw/zinc/04/13/59/770041359.db2.gz VMYZZNMXFPFMQK-UHFFFAOYSA-N 1 2 339.403 0.834 20 30 ECEDLO C#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001055914542 770199799 /nfs/dbraw/zinc/19/97/99/770199799.db2.gz HCVFHISYZMWGKG-GOSISDBHSA-N 1 2 346.431 0.616 20 30 ECEDLO CC(C)(C)C#CC(=O)N[C@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001055939564 770295367 /nfs/dbraw/zinc/29/53/67/770295367.db2.gz CJRGSKWRJRZXLK-GOSISDBHSA-N 1 2 346.431 0.471 20 30 ECEDLO N#Cc1cncc(N2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)n1 ZINC001055941998 770303608 /nfs/dbraw/zinc/30/36/08/770303608.db2.gz MERNSVUUIQLLQK-ZDUSSCGKSA-N 1 2 337.387 0.456 20 30 ECEDLO N#Cc1ccc(N2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)nn1 ZINC001055942269 770304044 /nfs/dbraw/zinc/30/40/44/770304044.db2.gz QEEUBWVGKITMAT-ZDUSSCGKSA-N 1 2 337.387 0.456 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CCC[N@H+](CC(N)=O)[C@H]1C ZINC000994207835 770306633 /nfs/dbraw/zinc/30/66/33/770306633.db2.gz TWKXSCWFIYKKQI-STQMWFEESA-N 1 2 332.404 0.714 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)[C@H]1C ZINC000994207835 770306644 /nfs/dbraw/zinc/30/66/44/770306644.db2.gz TWKXSCWFIYKKQI-STQMWFEESA-N 1 2 332.404 0.714 20 30 ECEDLO CC#CCCCC(=O)N1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001055998142 770500561 /nfs/dbraw/zinc/50/05/61/770500561.db2.gz OJHAULVHPFNKLX-SFHVURJKSA-N 1 2 346.431 0.546 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)C3CC3)C2)C1=O ZINC001077544953 770567334 /nfs/dbraw/zinc/56/73/34/770567334.db2.gz LILDMEJGMVSYES-QLFBSQMISA-N 1 2 335.448 0.371 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)C3CC3)C2)C1=O ZINC001077544953 770567341 /nfs/dbraw/zinc/56/73/41/770567341.db2.gz LILDMEJGMVSYES-QLFBSQMISA-N 1 2 335.448 0.371 20 30 ECEDLO C=C(C)CCC(=O)N1CCC[C@](CO)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001056019097 770568658 /nfs/dbraw/zinc/56/86/58/770568658.db2.gz CDRBLDQKLBYDLR-SFHVURJKSA-N 1 2 348.447 0.789 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(c2nccnc2C#N)CC1 ZINC001056046122 770662716 /nfs/dbraw/zinc/66/27/16/770662716.db2.gz AKQAEWJPPQHSQS-GFCCVEGCSA-N 1 2 325.376 0.599 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2nccnc2C#N)CC1 ZINC001056046122 770662724 /nfs/dbraw/zinc/66/27/24/770662724.db2.gz AKQAEWJPPQHSQS-GFCCVEGCSA-N 1 2 325.376 0.599 20 30 ECEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H](O)C(C)C ZINC001212218633 770790949 /nfs/dbraw/zinc/79/09/49/770790949.db2.gz CAHYKNRVGILLCK-KZNAEPCWSA-N 1 2 330.428 0.870 20 30 ECEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H](O)C(C)C ZINC001212218633 770790950 /nfs/dbraw/zinc/79/09/50/770790950.db2.gz CAHYKNRVGILLCK-KZNAEPCWSA-N 1 2 330.428 0.870 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1c[nH+]cn1C ZINC001056312153 771108131 /nfs/dbraw/zinc/10/81/31/771108131.db2.gz YPSLAYPMPPWKNC-CVEARBPZSA-N 1 2 346.431 0.757 20 30 ECEDLO N#Cc1nccnc1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001056333057 771138951 /nfs/dbraw/zinc/13/89/51/771138951.db2.gz DZFOCFYOFSZHMV-BCUIYNNISA-N 1 2 349.398 0.358 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C#CC(C)C)[C@H](OC)C1 ZINC001212234372 771181488 /nfs/dbraw/zinc/18/14/88/771181488.db2.gz ZCKLCDQSXFPPSN-IAGOWNOFSA-N 1 2 349.475 0.886 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)C#CC(C)C)[C@H](OC)C1 ZINC001212234372 771181490 /nfs/dbraw/zinc/18/14/90/771181490.db2.gz ZCKLCDQSXFPPSN-IAGOWNOFSA-N 1 2 349.475 0.886 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001019367189 771212123 /nfs/dbraw/zinc/21/21/23/771212123.db2.gz 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/nfs/dbraw/zinc/71/77/53/772717753.db2.gz KAQSXOKBRUCZGG-UHFFFAOYSA-N 1 2 342.399 0.544 20 30 ECEDLO CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001057525548 772718922 /nfs/dbraw/zinc/71/89/22/772718922.db2.gz XYMAUPYZNROWED-ZIAGYGMSSA-N 1 2 332.404 0.110 20 30 ECEDLO CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001057525548 772718926 /nfs/dbraw/zinc/71/89/26/772718926.db2.gz XYMAUPYZNROWED-ZIAGYGMSSA-N 1 2 332.404 0.110 20 30 ECEDLO C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001057694243 772918552 /nfs/dbraw/zinc/91/85/52/772918552.db2.gz APQXOBRNGWTFLM-UHFFFAOYSA-N 1 2 336.436 0.882 20 30 ECEDLO C=CC(C)(C)CC(=O)N(CCO)CCNC(=O)Cc1c[nH+]cn1C ZINC001057694979 772919058 /nfs/dbraw/zinc/91/90/58/772919058.db2.gz VHVQXPGMXGNONF-UHFFFAOYSA-N 1 2 336.436 0.502 20 30 ECEDLO C#CCCCCCC(=O)NCCN(CCO)C(=O)CCc1c[nH]c[nH+]1 ZINC001057901072 773157854 /nfs/dbraw/zinc/15/78/54/773157854.db2.gz FNERRZJPTDPFLF-UHFFFAOYSA-N 1 2 348.447 0.863 20 30 ECEDLO C#CCCCCCC(=O)NCCN(CCO)C(=O)CCc1c[nH+]c[nH]1 ZINC001057901072 773157855 /nfs/dbraw/zinc/15/78/55/773157855.db2.gz FNERRZJPTDPFLF-UHFFFAOYSA-N 1 2 348.447 0.863 20 30 ECEDLO C=CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001057947164 773251615 /nfs/dbraw/zinc/25/16/15/773251615.db2.gz RKWNREGSTYTNKY-OAHLLOKOSA-N 1 2 348.447 0.739 20 30 ECEDLO C=C1CC(C)(C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001057971230 773312072 /nfs/dbraw/zinc/31/20/72/773312072.db2.gz ZAPOYRXDWWBAIF-ZIAGYGMSSA-N 1 2 346.431 0.807 20 30 ECEDLO C=C1CC(C)(C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001057971230 773312080 /nfs/dbraw/zinc/31/20/80/773312080.db2.gz ZAPOYRXDWWBAIF-ZIAGYGMSSA-N 1 2 346.431 0.807 20 30 ECEDLO CC#CCCCC(=O)N(CCO)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001058442704 774189765 /nfs/dbraw/zinc/18/97/65/774189765.db2.gz NSBRKLHFXDLMGI-OAHLLOKOSA-N 1 2 348.447 0.719 20 30 ECEDLO CC#CCCCC(=O)N(CCO)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001058442704 774189768 /nfs/dbraw/zinc/18/97/68/774189768.db2.gz NSBRKLHFXDLMGI-OAHLLOKOSA-N 1 2 348.447 0.719 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N(CCO)CCNC(=O)Cc1c[nH+]cn1C ZINC001058464033 774233723 /nfs/dbraw/zinc/23/37/23/774233723.db2.gz MFMJEVRFADXBIS-CQSZACIVSA-N 1 2 336.436 0.502 20 30 ECEDLO N#Cc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)nn1 ZINC001058481460 774273179 /nfs/dbraw/zinc/27/31/79/774273179.db2.gz RZHXTSISVRCLPO-OCCSQVGLSA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1nccc(N2CC[C@H](NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)n1 ZINC001058541772 774394668 /nfs/dbraw/zinc/39/46/68/774394668.db2.gz TXLLDDKPRFFJAL-NWDGAFQWSA-N 1 2 337.387 0.886 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 ZINC001058586465 774482989 /nfs/dbraw/zinc/48/29/89/774482989.db2.gz QDFZBEMAPGYZHW-ZDUSSCGKSA-N 1 2 338.371 0.689 20 30 ECEDLO N#Cc1ccc(N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H](O)C2)nc1 ZINC001044750005 774576043 /nfs/dbraw/zinc/57/60/43/774576043.db2.gz ZKHGDIIGWHZHDM-GBOPCIDUSA-N 1 2 338.371 0.146 20 30 ECEDLO N#Cc1ccc(N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H](O)C2)nc1 ZINC001044750005 774576045 /nfs/dbraw/zinc/57/60/45/774576045.db2.gz ZKHGDIIGWHZHDM-GBOPCIDUSA-N 1 2 338.371 0.146 20 30 ECEDLO C=CC[NH2+][C@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H](C)C1 ZINC001044778568 774602429 /nfs/dbraw/zinc/60/24/29/774602429.db2.gz ZQERHLWHERMUIF-RYUDHWBXSA-N 1 2 330.392 0.226 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001045064808 774920809 /nfs/dbraw/zinc/92/08/09/774920809.db2.gz ZWPSYZIKUXCPLF-HNNXBMFYSA-N 1 2 348.447 0.955 20 30 ECEDLO N#Cc1cncc(N2CC[C@@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]32)n1 ZINC001045092592 774963673 /nfs/dbraw/zinc/96/36/73/774963673.db2.gz ZDNFCLZWZPTABX-JSGCOSHPSA-N 1 2 337.387 0.741 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001044010900 775505620 /nfs/dbraw/zinc/50/56/20/775505620.db2.gz FYUAHKMTXNBIKY-CHWSQXEVSA-N 1 2 334.420 0.110 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001044011563 775509014 /nfs/dbraw/zinc/50/90/14/775509014.db2.gz QZBUCGLWOLFTTP-ZDUSSCGKSA-N 1 2 334.420 0.254 20 30 ECEDLO C#CCCCCCC(=O)N1CC(O)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001044322966 776150741 /nfs/dbraw/zinc/15/07/41/776150741.db2.gz AKNJNCILRHXKOC-UHFFFAOYSA-N 1 2 346.431 0.534 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)c2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001070055967 790467783 /nfs/dbraw/zinc/46/77/83/790467783.db2.gz ZQQSLZVRANKFSR-DFBGVHRSSA-N 1 2 341.419 0.396 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001070055967 790467787 /nfs/dbraw/zinc/46/77/87/790467787.db2.gz ZQQSLZVRANKFSR-DFBGVHRSSA-N 1 2 341.419 0.396 20 30 ECEDLO C=C(C)CCC(=O)N1CC(O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001044714043 776684749 /nfs/dbraw/zinc/68/47/49/776684749.db2.gz BRSSVUTVVQQCRT-UHFFFAOYSA-N 1 2 334.420 0.399 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(CC)c[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001070064360 790487658 /nfs/dbraw/zinc/48/76/58/790487658.db2.gz MYLXJPYXNWSCKP-CABCVRRESA-N 1 2 340.387 0.230 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(CC)c[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001070064360 790487666 /nfs/dbraw/zinc/48/76/66/790487666.db2.gz MYLXJPYXNWSCKP-CABCVRRESA-N 1 2 340.387 0.230 20 30 ECEDLO CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CN(C(=O)CSCC#N)C1 ZINC001079852925 776981495 /nfs/dbraw/zinc/98/14/95/776981495.db2.gz XYWWPYJGYZYLBX-GFCCVEGCSA-N 1 2 349.460 0.904 20 30 ECEDLO CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CN(C(=O)CSCC#N)C1 ZINC001079852925 776981500 /nfs/dbraw/zinc/98/15/00/776981500.db2.gz XYWWPYJGYZYLBX-GFCCVEGCSA-N 1 2 349.460 0.904 20 30 ECEDLO C=CCCOCC(=O)N(CC)C1CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001079978468 777184048 /nfs/dbraw/zinc/18/40/48/777184048.db2.gz PXDILTHDIZMEBH-UHFFFAOYSA-N 1 2 334.420 0.913 20 30 ECEDLO C=CCOCC(=O)N1CC(N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001079990131 777198348 /nfs/dbraw/zinc/19/83/48/777198348.db2.gz OWRCXWGTDQFKFA-CQSZACIVSA-N 1 2 346.431 0.707 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(OC)cc2)[C@@H](n2ccnn2)C1 ZINC001070082160 790540937 /nfs/dbraw/zinc/54/09/37/790540937.db2.gz AGKADXAZQCDYBH-SJORKVTESA-N 1 2 339.399 0.965 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)cc2)[C@@H](n2ccnn2)C1 ZINC001070082160 790540944 /nfs/dbraw/zinc/54/09/44/790540944.db2.gz AGKADXAZQCDYBH-SJORKVTESA-N 1 2 339.399 0.965 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)CCn2cc[nH+]c2)C1 ZINC001080167880 777493622 /nfs/dbraw/zinc/49/36/22/777493622.db2.gz GTZBDXTUTQIMSG-CVEARBPZSA-N 1 2 346.431 0.924 20 30 ECEDLO CCN(C(=O)CCc1[nH+]ccn1C)C1CN(C(=O)C#CC2CC2)C1 ZINC001080241764 777595909 /nfs/dbraw/zinc/59/59/09/777595909.db2.gz RENRFNUBNNQZJX-UHFFFAOYSA-N 1 2 328.416 0.825 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(CC)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001080353511 777738424 /nfs/dbraw/zinc/73/84/24/777738424.db2.gz BDQMKCKOJDJUAE-CABCVRRESA-N 1 2 346.431 0.993 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cn(C)nc2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070095126 790586789 /nfs/dbraw/zinc/58/67/89/790586789.db2.gz XDPICCHWOORNRP-CABCVRRESA-N 1 2 341.419 0.424 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070095126 790586799 /nfs/dbraw/zinc/58/67/99/790586799.db2.gz XDPICCHWOORNRP-CABCVRRESA-N 1 2 341.419 0.424 20 30 ECEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001043427299 778309084 /nfs/dbraw/zinc/30/90/84/778309084.db2.gz RWDDHYXTTOVTCM-SJORKVTESA-N 1 2 335.448 0.032 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2ccc(C)s2)[C@@H](n2ccnn2)C1 ZINC001070102297 790612482 /nfs/dbraw/zinc/61/24/82/790612482.db2.gz BMAJJFSGWFBGLR-CABCVRRESA-N 1 2 329.429 0.865 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2ccc(C)s2)[C@@H](n2ccnn2)C1 ZINC001070102297 790612488 /nfs/dbraw/zinc/61/24/88/790612488.db2.gz BMAJJFSGWFBGLR-CABCVRRESA-N 1 2 329.429 0.865 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)n2nc(C)cc2C)[C@@H](n2ccnn2)C1 ZINC001070106127 790621340 /nfs/dbraw/zinc/62/13/40/790621340.db2.gz YXNWIPQMSVFTQA-OAGGEKHMSA-N 1 2 341.419 0.327 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)n2nc(C)cc2C)[C@@H](n2ccnn2)C1 ZINC001070106127 790621344 /nfs/dbraw/zinc/62/13/44/790621344.db2.gz YXNWIPQMSVFTQA-OAGGEKHMSA-N 1 2 341.419 0.327 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H](C)CC(C)C)C1 ZINC001043649086 778665213 /nfs/dbraw/zinc/66/52/13/778665213.db2.gz LGHNHTMYFIJNPO-CVEARBPZSA-N 1 2 349.475 0.456 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H](C)CC(C)C)C1 ZINC001043649086 778665220 /nfs/dbraw/zinc/66/52/20/778665220.db2.gz LGHNHTMYFIJNPO-CVEARBPZSA-N 1 2 349.475 0.456 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001043698653 778740659 /nfs/dbraw/zinc/74/06/59/778740659.db2.gz JMMMSCPLFFLBBF-KRWDZBQOSA-N 1 2 348.447 0.955 20 30 ECEDLO C=CCC1(C(=O)N2CC(O)(CNC(=O)Cn3cc[nH+]c3)C2)CCC1 ZINC001043712607 778760158 /nfs/dbraw/zinc/76/01/58/778760158.db2.gz YIGXNXPXALENHX-UHFFFAOYSA-N 1 2 332.404 0.319 20 30 ECEDLO O=C(C#CC1CC1)N1CC2(C1)CC[C@H](CNC(=O)Cn1cc[nH+]c1)O2 ZINC001068590894 790653353 /nfs/dbraw/zinc/65/33/53/790653353.db2.gz NOQLYILQTLECGR-OAHLLOKOSA-N 1 2 342.399 0.173 20 30 ECEDLO Cn1nnc(C[NH2+][C@@H]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C23CCC3)n1 ZINC001078588887 780178900 /nfs/dbraw/zinc/17/89/00/780178900.db2.gz IMLZHCBYQDEDIR-CHWSQXEVSA-N 1 2 340.391 0.241 20 30 ECEDLO Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2n2ccnn2)s1 ZINC001070159851 790786846 /nfs/dbraw/zinc/78/68/46/790786846.db2.gz TYYAKYVFWJRBAE-UHTWSYAYSA-N 1 2 345.432 0.744 20 30 ECEDLO C=CCOCC(=O)N(C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001078885074 780582878 /nfs/dbraw/zinc/58/28/78/780582878.db2.gz UFGFIYVVEUSLNY-HNNXBMFYSA-N 1 2 334.420 0.994 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cn(C)nn2)C1 ZINC001079134531 780797498 /nfs/dbraw/zinc/79/74/98/780797498.db2.gz DPMYWBCNVGHJIW-IAGOWNOFSA-N 1 2 339.399 0.136 20 30 ECEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cn(C)nn2)C1 ZINC001079134531 780797506 /nfs/dbraw/zinc/79/75/06/780797506.db2.gz DPMYWBCNVGHJIW-IAGOWNOFSA-N 1 2 339.399 0.136 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001042827986 780901225 /nfs/dbraw/zinc/90/12/25/780901225.db2.gz IEYYAZJLFBACJJ-CYBMUJFWSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001079401791 781079018 /nfs/dbraw/zinc/07/90/18/781079018.db2.gz KLHRHBRTACAPBC-ZYHUDNBSSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001079401791 781079023 /nfs/dbraw/zinc/07/90/23/781079023.db2.gz KLHRHBRTACAPBC-ZYHUDNBSSA-N 1 2 344.253 0.954 20 30 ECEDLO O=C(CC1=CCOCC1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077628741 781380789 /nfs/dbraw/zinc/38/07/89/781380789.db2.gz RFYJWBGKYMDZAB-RTBURBONSA-N 1 2 340.423 0.936 20 30 ECEDLO O=C(CC1=CCOCC1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077628741 781380795 /nfs/dbraw/zinc/38/07/95/781380795.db2.gz RFYJWBGKYMDZAB-RTBURBONSA-N 1 2 340.423 0.936 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cccn3)n2)C1 ZINC001077658642 781444580 /nfs/dbraw/zinc/44/45/80/781444580.db2.gz HFYPJKSGLGOFNY-HUUCEWRRSA-N 1 2 325.372 0.066 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cccn3)n2)C1 ZINC001077658642 781444583 /nfs/dbraw/zinc/44/45/83/781444583.db2.gz HFYPJKSGLGOFNY-HUUCEWRRSA-N 1 2 325.372 0.066 20 30 ECEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC001077695855 781533752 /nfs/dbraw/zinc/53/37/52/781533752.db2.gz JKEALPMJQQLROD-AHBIMHKDSA-N 1 2 347.390 0.784 20 30 ECEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1O ZINC001077695855 781533762 /nfs/dbraw/zinc/53/37/62/781533762.db2.gz JKEALPMJQQLROD-AHBIMHKDSA-N 1 2 347.390 0.784 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001077706491 781554002 /nfs/dbraw/zinc/55/40/02/781554002.db2.gz OCVULVJNJXTYLT-NNIGNNQHSA-N 1 2 340.423 0.767 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001077706491 781554011 /nfs/dbraw/zinc/55/40/11/781554011.db2.gz OCVULVJNJXTYLT-NNIGNNQHSA-N 1 2 340.423 0.767 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C)[nH]c3C)C2)C1=O ZINC001077749132 781640991 /nfs/dbraw/zinc/64/09/91/781640991.db2.gz DTDXLJHNENSIMJ-BZUAXINKSA-N 1 2 346.431 0.193 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C)[nH]c3C)C2)C1=O ZINC001077749132 781640997 /nfs/dbraw/zinc/64/09/97/781640997.db2.gz DTDXLJHNENSIMJ-BZUAXINKSA-N 1 2 346.431 0.193 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C)[nH]c3C)C2)C1=O ZINC001077749133 781641949 /nfs/dbraw/zinc/64/19/49/781641949.db2.gz DTDXLJHNENSIMJ-OWCLPIDISA-N 1 2 346.431 0.193 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C)[nH]c3C)C2)C1=O ZINC001077749133 781641954 /nfs/dbraw/zinc/64/19/54/781641954.db2.gz DTDXLJHNENSIMJ-OWCLPIDISA-N 1 2 346.431 0.193 20 30 ECEDLO C[C@@H](CCNC(=O)CCc1c[nH+]cn1C)NC(=O)c1ccc(C#N)[nH]1 ZINC001077813435 781743273 /nfs/dbraw/zinc/74/32/73/781743273.db2.gz MECFQLTZJKHDQD-LBPRGKRZSA-N 1 2 342.403 0.877 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1O ZINC001077821903 781758928 /nfs/dbraw/zinc/75/89/28/781758928.db2.gz MVHDQEOCQMPKCS-HZMVEIRTSA-N 1 2 331.416 0.724 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1O ZINC001077821903 781758936 /nfs/dbraw/zinc/75/89/36/781758936.db2.gz MVHDQEOCQMPKCS-HZMVEIRTSA-N 1 2 331.416 0.724 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3cccc(OC)c23)C1 ZINC001077849598 781813314 /nfs/dbraw/zinc/81/33/14/781813314.db2.gz CMBOBUHZDXQMAD-ZIAGYGMSSA-N 1 2 328.372 0.141 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn3cccc(OC)c23)C1 ZINC001077849598 781813325 /nfs/dbraw/zinc/81/33/25/781813325.db2.gz CMBOBUHZDXQMAD-ZIAGYGMSSA-N 1 2 328.372 0.141 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001040812799 783488849 /nfs/dbraw/zinc/48/88/49/783488849.db2.gz LESOTHIVHFXEJT-MSOLQXFVSA-N 1 2 348.447 0.943 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NC[C@]1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040813390 783489575 /nfs/dbraw/zinc/48/95/75/783489575.db2.gz QDFYKDFBLOHPCB-IAGOWNOFSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040813392 783489968 /nfs/dbraw/zinc/48/99/68/783489968.db2.gz QDFYKDFBLOHPCB-SJORKVTESA-N 1 2 334.420 0.634 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)c2c(C)ccn2C)C1=O ZINC001038189960 783972912 /nfs/dbraw/zinc/97/29/12/783972912.db2.gz IVDPSMOFFCUTKH-LSDHHAIUSA-N 1 2 330.432 0.925 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)c2c(C)ccn2C)C1=O ZINC001038189960 783972916 /nfs/dbraw/zinc/97/29/16/783972916.db2.gz IVDPSMOFFCUTKH-LSDHHAIUSA-N 1 2 330.432 0.925 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cnn(C)c2)C1 ZINC001070903490 784083308 /nfs/dbraw/zinc/08/33/08/784083308.db2.gz MXSJRPXHHQKIJQ-KFWWJZLASA-N 1 2 345.403 0.326 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cnn(C)c2)C1 ZINC001070903490 784083320 /nfs/dbraw/zinc/08/33/20/784083320.db2.gz MXSJRPXHHQKIJQ-KFWWJZLASA-N 1 2 345.403 0.326 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)Cc1ccon1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442810 784088146 /nfs/dbraw/zinc/08/81/46/784088146.db2.gz PRJPUVOAQMJWHP-CQSZACIVSA-N 1 2 340.387 0.205 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ncoc2C)C1 ZINC001070906264 784089874 /nfs/dbraw/zinc/08/98/74/784089874.db2.gz YWDYSDFLCVVKMW-MCIONIFRSA-N 1 2 346.387 0.889 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ncoc2C)C1 ZINC001070906264 784089880 /nfs/dbraw/zinc/08/98/80/784089880.db2.gz YWDYSDFLCVVKMW-MCIONIFRSA-N 1 2 346.387 0.889 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1cc(C#N)c[nH]1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070444361 784094242 /nfs/dbraw/zinc/09/42/42/784094242.db2.gz OIQZZUZNSDZIJR-CQSZACIVSA-N 1 2 349.398 0.488 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@]13C[C@H]1COC3)C[C@H]2c1nnc(C)[nH]1 ZINC001070445675 784098006 /nfs/dbraw/zinc/09/80/06/784098006.db2.gz HXAGKFWOMNITGN-DEYYWGMASA-N 1 2 341.415 0.011 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)C1CC(OC)C1)C[C@H]2c1nnc(C)[nH]1 ZINC001070445891 784098049 /nfs/dbraw/zinc/09/80/49/784098049.db2.gz MVIJNJPUCOOJDO-NRXISQOPSA-N 1 2 343.431 0.399 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001070911748 784101384 /nfs/dbraw/zinc/10/13/84/784101384.db2.gz KRAZTNUPNKWETP-MJBXVCDLSA-N 1 2 343.387 0.153 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001070911748 784101394 /nfs/dbraw/zinc/10/13/94/784101394.db2.gz KRAZTNUPNKWETP-MJBXVCDLSA-N 1 2 343.387 0.153 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2coc(C)n2)C1 ZINC001070911663 784101797 /nfs/dbraw/zinc/10/17/97/784101797.db2.gz HSHVBAZCIGZYJM-CFVMTHIKSA-N 1 2 346.387 0.889 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2coc(C)n2)C1 ZINC001070911663 784101801 /nfs/dbraw/zinc/10/18/01/784101801.db2.gz HSHVBAZCIGZYJM-CFVMTHIKSA-N 1 2 346.387 0.889 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cc[nH]c2)C1 ZINC001070913169 784103542 /nfs/dbraw/zinc/10/35/42/784103542.db2.gz DDEUNPBJUFGUQI-KFWWJZLASA-N 1 2 330.388 0.920 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cc[nH]c2)C1 ZINC001070913169 784103545 /nfs/dbraw/zinc/10/35/45/784103545.db2.gz DDEUNPBJUFGUQI-KFWWJZLASA-N 1 2 330.388 0.920 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@H](F)C(C)C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070448609 784105523 /nfs/dbraw/zinc/10/55/23/784105523.db2.gz ZNEDGMRDWKTTMQ-ZIAGYGMSSA-N 1 2 333.411 0.968 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2oncc2C)C1 ZINC001070922175 784121502 /nfs/dbraw/zinc/12/15/02/784121502.db2.gz CKEXSGXDNSVHBR-MJBXVCDLSA-N 1 2 346.387 0.889 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2oncc2C)C1 ZINC001070922175 784121506 /nfs/dbraw/zinc/12/15/06/784121506.db2.gz CKEXSGXDNSVHBR-MJBXVCDLSA-N 1 2 346.387 0.889 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(C)nnc2C)CC1 ZINC001070967886 784258458 /nfs/dbraw/zinc/25/84/58/784258458.db2.gz BLLBHCDIJCYANI-UHFFFAOYSA-N 1 2 345.447 0.934 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C)nnc2C)CC1 ZINC001070967886 784258462 /nfs/dbraw/zinc/25/84/62/784258462.db2.gz BLLBHCDIJCYANI-UHFFFAOYSA-N 1 2 345.447 0.934 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2ccc(C(N)=O)o2)CC1 ZINC001070979045 784301886 /nfs/dbraw/zinc/30/18/86/784301886.db2.gz PYJMOQFZSSNRAB-UHFFFAOYSA-N 1 2 348.403 0.219 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2ccc(C(N)=O)o2)CC1 ZINC001070979045 784301895 /nfs/dbraw/zinc/30/18/95/784301895.db2.gz PYJMOQFZSSNRAB-UHFFFAOYSA-N 1 2 348.403 0.219 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2coc(C3CC3)n2)CC1 ZINC001071006149 784388729 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C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2oc(CC)nc2C)CC1 ZINC001071012813 784410386 /nfs/dbraw/zinc/41/03/86/784410386.db2.gz HJOWBYAEMZTGJD-UHFFFAOYSA-N 1 2 346.431 0.833 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2oc(CC)nc2C)CC1 ZINC001071012813 784410393 /nfs/dbraw/zinc/41/03/93/784410393.db2.gz HJOWBYAEMZTGJD-UHFFFAOYSA-N 1 2 346.431 0.833 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)Oc2ccccn2)CC1 ZINC001071015599 784422452 /nfs/dbraw/zinc/42/24/52/784422452.db2.gz LCHBRGJFQSIMPE-OAHLLOKOSA-N 1 2 346.431 0.685 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)Oc2ccccn2)CC1 ZINC001071015599 784422456 /nfs/dbraw/zinc/42/24/56/784422456.db2.gz LCHBRGJFQSIMPE-OAHLLOKOSA-N 1 2 346.431 0.685 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001071016001 784423833 /nfs/dbraw/zinc/42/38/33/784423833.db2.gz CZSYTJMSDGEUBW-ZIAGYGMSSA-N 1 2 332.404 0.108 20 30 ECEDLO C=CCCOCC(=O)N[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001071016943 784427563 /nfs/dbraw/zinc/42/75/63/784427563.db2.gz YITNDUXGWRKDDY-CQSZACIVSA-N 1 2 334.420 0.663 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)Cc2ccc(F)cn2)C[C@H]1NCC#N ZINC001070662158 784519008 /nfs/dbraw/zinc/51/90/08/784519008.db2.gz NYAMVNVXDKYFGV-HUUCEWRRSA-N 1 2 342.378 0.604 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)O[C@]3(CC[N@H+](CC(N)=O)C3)C2)cc1 ZINC001071197168 784715750 /nfs/dbraw/zinc/71/57/50/784715750.db2.gz ODJUBTIJGOGCFB-KUHUBIRLSA-N 1 2 341.411 0.459 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)O[C@]3(CC[N@@H+](CC(N)=O)C3)C2)cc1 ZINC001071197168 784715756 /nfs/dbraw/zinc/71/57/56/784715756.db2.gz ODJUBTIJGOGCFB-KUHUBIRLSA-N 1 2 341.411 0.459 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)C1(C(N)=O)CC1)C[C@H](C)O2 ZINC001071203805 784727808 /nfs/dbraw/zinc/72/78/08/784727808.db2.gz HXAMGAJRVGFMOK-WFASDCNBSA-N 1 2 341.839 0.696 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C1(C(N)=O)CC1)C[C@H](C)O2 ZINC001071203805 784727814 /nfs/dbraw/zinc/72/78/14/784727814.db2.gz HXAMGAJRVGFMOK-WFASDCNBSA-N 1 2 341.839 0.696 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001070888276 784793381 /nfs/dbraw/zinc/79/33/81/784793381.db2.gz LELKOQFHFBKCBU-DZGCQCFKSA-N 1 2 332.404 0.488 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001070888276 784793389 /nfs/dbraw/zinc/79/33/89/784793389.db2.gz LELKOQFHFBKCBU-DZGCQCFKSA-N 1 2 332.404 0.488 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C(F)F)C1 ZINC001070900706 784807412 /nfs/dbraw/zinc/80/74/12/784807412.db2.gz VVGKMURUYDBEPM-TUAOUCFPSA-N 1 2 327.331 0.381 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C(F)F)C1 ZINC001070900706 784807423 /nfs/dbraw/zinc/80/74/23/784807423.db2.gz VVGKMURUYDBEPM-TUAOUCFPSA-N 1 2 327.331 0.381 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)C(=O)C1 ZINC001071255432 784851030 /nfs/dbraw/zinc/85/10/30/784851030.db2.gz OFVIIYCYSOPIAT-MRXNPFEDSA-N 1 2 343.431 0.192 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)C(=O)C1 ZINC001071255432 784851039 /nfs/dbraw/zinc/85/10/39/784851039.db2.gz OFVIIYCYSOPIAT-MRXNPFEDSA-N 1 2 343.431 0.192 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)C#CC3CC3)C2)C(=O)C1 ZINC001071264075 784882811 /nfs/dbraw/zinc/88/28/11/784882811.db2.gz MUKBBXIIJQSRPE-KRWDZBQOSA-N 1 2 327.428 0.558 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)C#CC3CC3)C2)C(=O)C1 ZINC001071264075 784882816 /nfs/dbraw/zinc/88/28/16/784882816.db2.gz MUKBBXIIJQSRPE-KRWDZBQOSA-N 1 2 327.428 0.558 20 30 ECEDLO CO[C@H](C)C[N@@H+]1CCN([C@@H]2CCCN(C(=O)C#CC3CC3)C2)C(=O)C1 ZINC001071264370 784884650 /nfs/dbraw/zinc/88/46/50/784884650.db2.gz UWXNDALHDIXXRL-NVXWUHKLSA-N 1 2 347.459 0.570 20 30 ECEDLO CO[C@H](C)C[N@H+]1CCN([C@@H]2CCCN(C(=O)C#CC3CC3)C2)C(=O)C1 ZINC001071264370 784884655 /nfs/dbraw/zinc/88/46/55/784884655.db2.gz UWXNDALHDIXXRL-NVXWUHKLSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CCN1CCN([C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C(=O)C1 ZINC001071277632 784924792 /nfs/dbraw/zinc/92/47/92/784924792.db2.gz ZYOMPXPJJOIXTI-OAHLLOKOSA-N 1 2 343.431 0.029 20 30 ECEDLO C=C(C)CN1CCN([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C(=O)C1 ZINC001071279642 784926540 /nfs/dbraw/zinc/92/65/40/784926540.db2.gz WMWABCQBVGDNTG-INIZCTEOSA-N 1 2 345.447 0.594 20 30 ECEDLO C[C@@H]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C[N@@H+]1Cc1cnnn1C ZINC001071438202 785086905 /nfs/dbraw/zinc/08/69/05/785086905.db2.gz NKWYOVSQFRTLEC-YPMHNXCESA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@@H]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C[N@H+]1Cc1cnnn1C ZINC001071438202 785086914 /nfs/dbraw/zinc/08/69/14/785086914.db2.gz NKWYOVSQFRTLEC-YPMHNXCESA-N 1 2 327.392 0.798 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(N)=O)C2)cc1 ZINC001071869671 785246296 /nfs/dbraw/zinc/24/62/96/785246296.db2.gz SOONEKNUSNMGER-ZFWWWQNUSA-N 1 2 329.400 0.767 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(N)=O)C2)cc1 ZINC001071869671 785246300 /nfs/dbraw/zinc/24/63/00/785246300.db2.gz SOONEKNUSNMGER-ZFWWWQNUSA-N 1 2 329.400 0.767 20 30 ECEDLO C=CCC[N@H+]1C[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC[C@@H]1C ZINC001071908362 785308815 /nfs/dbraw/zinc/30/88/15/785308815.db2.gz SUFNLYXXHMVXCR-STQMWFEESA-N 1 2 344.419 0.616 20 30 ECEDLO C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC[C@@H]1C ZINC001071908362 785308817 /nfs/dbraw/zinc/30/88/17/785308817.db2.gz SUFNLYXXHMVXCR-STQMWFEESA-N 1 2 344.419 0.616 20 30 ECEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001071918607 785332223 /nfs/dbraw/zinc/33/22/23/785332223.db2.gz QJHCJHYZXSXUPY-DOMZBBRYSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1NC(=O)CSCC#N ZINC001071988160 785483043 /nfs/dbraw/zinc/48/30/43/785483043.db2.gz MFZQDYSTKVZAMF-NWDGAFQWSA-N 1 2 335.433 0.562 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cn2nc(C)n(C)c2=O)CC[C@@H]1C ZINC001072033841 785555540 /nfs/dbraw/zinc/55/55/40/785555540.db2.gz PQHBHSSJVFJLMO-WCQYABFASA-N 1 2 341.843 0.612 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cn2nc(C)n(C)c2=O)CC[C@@H]1C ZINC001072033841 785555547 /nfs/dbraw/zinc/55/55/47/785555547.db2.gz PQHBHSSJVFJLMO-WCQYABFASA-N 1 2 341.843 0.612 20 30 ECEDLO C=CCCOCC(=O)N1C[C@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001072338724 786043654 /nfs/dbraw/zinc/04/36/54/786043654.db2.gz HSSCTGYKXNMEIN-LSDHHAIUSA-N 1 2 334.420 0.829 20 30 ECEDLO CC(C)C#CC(=O)N[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001072511169 786303789 /nfs/dbraw/zinc/30/37/89/786303789.db2.gz XJRSVZOFGXCCRV-LSDHHAIUSA-N 1 2 330.432 0.975 20 30 ECEDLO CS(=O)(=O)CC(=O)N1CC2(C1)CC[N@H+](Cc1cccc(C#N)c1)C2 ZINC001072526286 786327337 /nfs/dbraw/zinc/32/73/37/786327337.db2.gz SKQDAOZWXJLPFJ-UHFFFAOYSA-N 1 2 347.440 0.637 20 30 ECEDLO CS(=O)(=O)CC(=O)N1CC2(C1)CC[N@@H+](Cc1cccc(C#N)c1)C2 ZINC001072526286 786327344 /nfs/dbraw/zinc/32/73/44/786327344.db2.gz SKQDAOZWXJLPFJ-UHFFFAOYSA-N 1 2 347.440 0.637 20 30 ECEDLO COCc1noc([C@@H](C)[N@@H+]2CCC3(CN(C(=O)[C@H](C)C#N)C3)C2)n1 ZINC001072552025 786355693 /nfs/dbraw/zinc/35/56/93/786355693.db2.gz LMZRBZMFGINCQP-VXGBXAGGSA-N 1 2 333.392 0.971 20 30 ECEDLO COCc1noc([C@@H](C)[N@H+]2CCC3(CN(C(=O)[C@H](C)C#N)C3)C2)n1 ZINC001072552025 786355699 /nfs/dbraw/zinc/35/56/99/786355699.db2.gz LMZRBZMFGINCQP-VXGBXAGGSA-N 1 2 333.392 0.971 20 30 ECEDLO COCc1noc([C@@H](C)[N@@H+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)n1 ZINC001072552023 786355969 /nfs/dbraw/zinc/35/59/69/786355969.db2.gz LMZRBZMFGINCQP-NWDGAFQWSA-N 1 2 333.392 0.971 20 30 ECEDLO COCc1noc([C@@H](C)[N@H+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)C2)n1 ZINC001072552023 786355977 /nfs/dbraw/zinc/35/59/77/786355977.db2.gz LMZRBZMFGINCQP-NWDGAFQWSA-N 1 2 333.392 0.971 20 30 ECEDLO CC1(C)CN(C(=O)CSCC#N)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001073518064 786453264 /nfs/dbraw/zinc/45/32/64/786453264.db2.gz GQDVHCFFYIHBPS-CYBMUJFWSA-N 1 2 349.460 0.952 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccn4nnnc34)C[C@H]21 ZINC001074253309 786521764 /nfs/dbraw/zinc/52/17/64/786521764.db2.gz UPQFLIKOWZFUIE-HUUCEWRRSA-N 1 2 340.387 0.063 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccn4nnnc34)C[C@H]21 ZINC001074253309 786521769 /nfs/dbraw/zinc/52/17/69/786521769.db2.gz UPQFLIKOWZFUIE-HUUCEWRRSA-N 1 2 340.387 0.063 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CN3CCCNC3=O)C[C@H]21 ZINC001074283221 786586008 /nfs/dbraw/zinc/58/60/08/786586008.db2.gz AEPGVLACBDBESM-CABCVRRESA-N 1 2 336.436 0.280 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CN3CCCNC3=O)C[C@H]21 ZINC001074283221 786586019 /nfs/dbraw/zinc/58/60/19/786586019.db2.gz AEPGVLACBDBESM-CABCVRRESA-N 1 2 336.436 0.280 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn4cccnc4n3)C[C@H]21 ZINC001074285207 786594158 /nfs/dbraw/zinc/59/41/58/786594158.db2.gz WVRGLSLGBOVKQE-CVEARBPZSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn4cccnc4n3)C[C@H]21 ZINC001074285207 786594164 /nfs/dbraw/zinc/59/41/64/786594164.db2.gz WVRGLSLGBOVKQE-CVEARBPZSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccnc(OC)n3)C[C@@H]21 ZINC001074293697 786612717 /nfs/dbraw/zinc/61/27/17/786612717.db2.gz BUKKGRLEDLKOLS-GJZGRUSLSA-N 1 2 330.388 0.424 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccnc(OC)n3)C[C@@H]21 ZINC001074293697 786612720 /nfs/dbraw/zinc/61/27/20/786612720.db2.gz BUKKGRLEDLKOLS-GJZGRUSLSA-N 1 2 330.388 0.424 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(OC)n(C)n3)C[C@@H]21 ZINC001074294111 786614515 /nfs/dbraw/zinc/61/45/15/786614515.db2.gz IQIFOGYNIHZMCP-LSDHHAIUSA-N 1 2 332.404 0.367 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(OC)n(C)n3)C[C@@H]21 ZINC001074294111 786614518 /nfs/dbraw/zinc/61/45/18/786614518.db2.gz IQIFOGYNIHZMCP-LSDHHAIUSA-N 1 2 332.404 0.367 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@@H]21 ZINC001074294557 786615720 /nfs/dbraw/zinc/61/57/20/786615720.db2.gz PGUVOPZZBLACLT-HOTGVXAUSA-N 1 2 344.415 0.604 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@@H]21 ZINC001074294557 786615723 /nfs/dbraw/zinc/61/57/23/786615723.db2.gz PGUVOPZZBLACLT-HOTGVXAUSA-N 1 2 344.415 0.604 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001073583423 786685463 /nfs/dbraw/zinc/68/54/63/786685463.db2.gz YYBKAEFHDZTEEA-CQSZACIVSA-N 1 2 329.828 0.424 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001073583423 786685469 /nfs/dbraw/zinc/68/54/69/786685469.db2.gz YYBKAEFHDZTEEA-CQSZACIVSA-N 1 2 329.828 0.424 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@@H]21 ZINC001074340202 786708685 /nfs/dbraw/zinc/70/86/85/786708685.db2.gz GNYKXYPFKCWKPL-LSDHHAIUSA-N 1 2 332.404 0.605 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@@H]21 ZINC001074340202 786708691 /nfs/dbraw/zinc/70/86/91/786708691.db2.gz GNYKXYPFKCWKPL-LSDHHAIUSA-N 1 2 332.404 0.605 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(CC)nn3C)C[C@H]21 ZINC001074366960 786771442 /nfs/dbraw/zinc/77/14/42/786771442.db2.gz ZNEIZGCDGILFJM-SJORKVTESA-N 1 2 330.432 0.921 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(CC)nn3C)C[C@H]21 ZINC001074366960 786771452 /nfs/dbraw/zinc/77/14/52/786771452.db2.gz ZNEIZGCDGILFJM-SJORKVTESA-N 1 2 330.432 0.921 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(CCC)nn3)C[C@H]21 ZINC001074372072 786784217 /nfs/dbraw/zinc/78/42/17/786784217.db2.gz QWOVPAZSSGWRAE-HZPDHXFCSA-N 1 2 331.420 0.627 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(CCC)nn3)C[C@H]21 ZINC001074372072 786784222 /nfs/dbraw/zinc/78/42/22/786784222.db2.gz QWOVPAZSSGWRAE-HZPDHXFCSA-N 1 2 331.420 0.627 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(OC)nn3)C[C@H]21 ZINC001074378062 786799170 /nfs/dbraw/zinc/79/91/70/786799170.db2.gz UPHSCHCCZXOMQV-HUUCEWRRSA-N 1 2 330.388 0.424 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(OC)nn3)C[C@H]21 ZINC001074378062 786799177 /nfs/dbraw/zinc/79/91/77/786799177.db2.gz UPHSCHCCZXOMQV-HUUCEWRRSA-N 1 2 330.388 0.424 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccn(C)c3=O)C[C@H]21 ZINC001074383397 786814411 /nfs/dbraw/zinc/81/44/11/786814411.db2.gz ZESIUPLTAHXUQF-HZPDHXFCSA-N 1 2 329.400 0.324 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccn(C)c3=O)C[C@H]21 ZINC001074383397 786814423 /nfs/dbraw/zinc/81/44/23/786814423.db2.gz ZESIUPLTAHXUQF-HZPDHXFCSA-N 1 2 329.400 0.324 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(C(N)=O)o2)C1 ZINC001073687053 786970383 /nfs/dbraw/zinc/97/03/83/786970383.db2.gz ICHOEGCEYDJPPW-LLVKDONJSA-N 1 2 341.795 0.952 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2ccc(C(N)=O)o2)C1 ZINC001073687053 786970387 /nfs/dbraw/zinc/97/03/87/786970387.db2.gz ICHOEGCEYDJPPW-LLVKDONJSA-N 1 2 341.795 0.952 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1NC(=O)CSCC#N ZINC001073743743 787104378 /nfs/dbraw/zinc/10/43/78/787104378.db2.gz CWUIMAZXKXWXJH-TZMCWYRMSA-N 1 2 349.460 0.952 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1NC(=O)CSCC#N ZINC001073743743 787104380 /nfs/dbraw/zinc/10/43/80/787104380.db2.gz CWUIMAZXKXWXJH-TZMCWYRMSA-N 1 2 349.460 0.952 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NCC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001074631828 787452964 /nfs/dbraw/zinc/45/29/64/787452964.db2.gz ICJRJQXQDOEPGW-HNNXBMFYSA-N 1 2 348.447 0.955 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001073901759 787483574 /nfs/dbraw/zinc/48/35/74/787483574.db2.gz DOJDIVPKKUMVPX-ZIAGYGMSSA-N 1 2 343.855 0.814 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001073901759 787483579 /nfs/dbraw/zinc/48/35/79/787483579.db2.gz DOJDIVPKKUMVPX-ZIAGYGMSSA-N 1 2 343.855 0.814 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC(O)(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001074661374 787533722 /nfs/dbraw/zinc/53/37/22/787533722.db2.gz TUNNBCVIBCAJLQ-UHFFFAOYSA-N 1 2 348.447 0.645 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001073960392 787587235 /nfs/dbraw/zinc/58/72/35/787587235.db2.gz NLJYMTVAMVKFAT-HIFRSBDPSA-N 1 2 346.431 0.654 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001073961002 787590122 /nfs/dbraw/zinc/59/01/22/787590122.db2.gz VPBFRLAPUPDZTF-ZBFHGGJFSA-N 1 2 346.431 0.735 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001073961002 787590127 /nfs/dbraw/zinc/59/01/27/787590127.db2.gz VPBFRLAPUPDZTF-ZBFHGGJFSA-N 1 2 346.431 0.735 20 30 ECEDLO C=CC(C)(C)C(=O)NCC1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001074693134 787618713 /nfs/dbraw/zinc/61/87/13/787618713.db2.gz YYPJIEIBHHGVDU-UHFFFAOYSA-N 1 2 334.420 0.634 20 30 ECEDLO C=CC(C)(C)C(=O)NCC1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001074759139 787773468 /nfs/dbraw/zinc/77/34/68/787773468.db2.gz OBRQIZMWBXYUIO-UHFFFAOYSA-N 1 2 334.420 0.634 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001074077430 787818895 /nfs/dbraw/zinc/81/88/95/787818895.db2.gz SRQPDVVSFOFBBN-GDBMZVCRSA-N 1 2 348.447 0.909 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H](C)C1 ZINC001074991324 788679466 /nfs/dbraw/zinc/67/94/66/788679466.db2.gz SOEYFOYENDLXSI-JKSUJKDBSA-N 1 2 346.431 0.809 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001075083859 788873703 /nfs/dbraw/zinc/87/37/03/788873703.db2.gz NCHVIGMOVLEFJI-HOTGVXAUSA-N 1 2 346.431 0.809 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)CSCC#N ZINC001075129265 788948479 /nfs/dbraw/zinc/94/84/79/788948479.db2.gz GRWOMEASITVNCV-NEPJUHHUSA-N 1 2 335.433 0.705 20 30 ECEDLO CC1(NC(=O)Cc2[nH]cc[nH+]2)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001072931562 789130642 /nfs/dbraw/zinc/13/06/42/789130642.db2.gz BKXIECHZKSWGQS-UHFFFAOYSA-N 1 2 340.387 0.963 20 30 ECEDLO CC1(NC(=O)Cc2c[nH]c[nH+]2)CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001072952560 789157559 /nfs/dbraw/zinc/15/75/59/789157559.db2.gz RMNUIYAPVIZFBB-UHFFFAOYSA-N 1 2 340.387 0.963 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NC1(C)CCN(C(=O)C#CC2CC2)CC1 ZINC001073011556 789271712 /nfs/dbraw/zinc/27/17/12/789271712.db2.gz JZDXBYTZUWNFIY-UHFFFAOYSA-N 1 2 328.416 0.873 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CCC(C)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001073028937 789304073 /nfs/dbraw/zinc/30/40/73/789304073.db2.gz GHCUCHLQAYEKCZ-ZDUSSCGKSA-N 1 2 332.404 0.488 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 ZINC001073124692 789481312 /nfs/dbraw/zinc/48/13/12/789481312.db2.gz ZBVVSYFUQLMEJV-UHFFFAOYSA-N 1 2 348.794 0.318 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)C1 ZINC001073124692 789481314 /nfs/dbraw/zinc/48/13/14/789481314.db2.gz ZBVVSYFUQLMEJV-UHFFFAOYSA-N 1 2 348.794 0.318 20 30 ECEDLO CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1NC(=O)CSCC#N ZINC001073318087 789729560 /nfs/dbraw/zinc/72/95/60/789729560.db2.gz HGRXSXFELYSTMC-GFCCVEGCSA-N 1 2 349.460 0.952 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCC(CC)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001069376765 789784546 /nfs/dbraw/zinc/78/45/46/789784546.db2.gz GAHPEEYAOSPWPD-CQSZACIVSA-N 1 2 346.431 0.878 20 30 ECEDLO CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1Nc1ccnc(C#N)n1 ZINC001069619370 789935831 /nfs/dbraw/zinc/93/58/31/789935831.db2.gz FKFIHLNZVSTIRQ-GFCCVEGCSA-N 1 2 325.376 0.385 20 30 ECEDLO CN(C(=O)Cc1c[nH+]cn1C)C1CC(Nc2cncc(C#N)n2)C1 ZINC001069756149 790012312 /nfs/dbraw/zinc/01/23/12/790012312.db2.gz UMNPRPPUPNYODC-UHFFFAOYSA-N 1 2 325.376 0.726 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CC(=O)N[C@H](C)C3)c2C1 ZINC001069866048 790123683 /nfs/dbraw/zinc/12/36/83/790123683.db2.gz VMISFNVHCMFZNT-KGLIPLIRSA-N 1 2 345.447 0.806 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CC(=O)N[C@H](C)C3)c2C1 ZINC001069866048 790123686 /nfs/dbraw/zinc/12/36/86/790123686.db2.gz VMISFNVHCMFZNT-KGLIPLIRSA-N 1 2 345.447 0.806 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3ccc(C(N)=O)o3)c2C1 ZINC001069866891 790125536 /nfs/dbraw/zinc/12/55/36/790125536.db2.gz NHWUTIJHXPYSQW-UHFFFAOYSA-N 1 2 343.387 0.897 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3ccc(C(N)=O)o3)c2C1 ZINC001069866891 790125538 /nfs/dbraw/zinc/12/55/38/790125538.db2.gz NHWUTIJHXPYSQW-UHFFFAOYSA-N 1 2 343.387 0.897 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CC[C@H]3C(N)=O)c2C1 ZINC001069869380 790128951 /nfs/dbraw/zinc/12/89/51/790128951.db2.gz KAQIBEONWMWETI-KGLIPLIRSA-N 1 2 331.420 0.403 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CC[C@H]3C(N)=O)c2C1 ZINC001069869380 790128956 /nfs/dbraw/zinc/12/89/56/790128956.db2.gz KAQIBEONWMWETI-KGLIPLIRSA-N 1 2 331.420 0.403 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CCC(=O)N3C)c2C1 ZINC001069871152 790132335 /nfs/dbraw/zinc/13/23/35/790132335.db2.gz OFWIJEZOKGWBSC-CQSZACIVSA-N 1 2 331.420 0.512 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CCC(=O)N3C)c2C1 ZINC001069871152 790132338 /nfs/dbraw/zinc/13/23/38/790132338.db2.gz OFWIJEZOKGWBSC-CQSZACIVSA-N 1 2 331.420 0.512 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CC2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001069902740 790171493 /nfs/dbraw/zinc/17/14/93/790171493.db2.gz MGFFKNLFTVWAIG-CVEARBPZSA-N 1 2 331.420 0.460 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CC2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001069902740 790171497 /nfs/dbraw/zinc/17/14/97/790171497.db2.gz MGFFKNLFTVWAIG-CVEARBPZSA-N 1 2 331.420 0.460 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]2n2ccnn2)[nH]1 ZINC001069908638 790177452 /nfs/dbraw/zinc/17/74/52/790177452.db2.gz IHBDTDIRQZARRD-FVEKBPEJSA-N 1 2 345.794 0.886 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]2n2ccnn2)[nH]1 ZINC001069908638 790177455 /nfs/dbraw/zinc/17/74/55/790177455.db2.gz IHBDTDIRQZARRD-FVEKBPEJSA-N 1 2 345.794 0.886 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C3CC3)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001069940868 790216245 /nfs/dbraw/zinc/21/62/45/790216245.db2.gz IDIKBRCSFJGVJG-ZBFHGGJFSA-N 1 2 339.403 0.178 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C3CC3)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001069940868 790216247 /nfs/dbraw/zinc/21/62/47/790216247.db2.gz IDIKBRCSFJGVJG-ZBFHGGJFSA-N 1 2 339.403 0.178 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ncc(OC)cc2F)[C@@H](n2ccnn2)C1 ZINC001069943434 790220435 /nfs/dbraw/zinc/22/04/35/790220435.db2.gz SSIJITNEEKXRBL-KGLIPLIRSA-N 1 2 346.366 0.662 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ncc(OC)cc2F)[C@@H](n2ccnn2)C1 ZINC001069943434 790220436 /nfs/dbraw/zinc/22/04/36/790220436.db2.gz SSIJITNEEKXRBL-KGLIPLIRSA-N 1 2 346.366 0.662 20 30 ECEDLO CC#CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)CO2 ZINC001068982835 791546611 /nfs/dbraw/zinc/54/66/11/791546611.db2.gz DUKGNEGQKXKVTH-CQSZACIVSA-N 1 2 344.415 0.632 20 30 ECEDLO C[C@H](C#N)C(=O)N[C@@H]1COC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001069004343 791577286 /nfs/dbraw/zinc/57/72/86/791577286.db2.gz VXCRAKUSUJDVIH-NEPJUHHUSA-N 1 2 345.403 0.333 20 30 ECEDLO CC#CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)CO2 ZINC001069057258 791661580 /nfs/dbraw/zinc/66/15/80/791661580.db2.gz CUSQZBNQKPMHHE-OAHLLOKOSA-N 1 2 344.415 0.632 20 30 ECEDLO C=CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)CO2 ZINC001069057774 791662985 /nfs/dbraw/zinc/66/29/85/791662985.db2.gz NBKDEPNOYKEUDL-CQSZACIVSA-N 1 2 332.404 0.795 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(c3ccncc3C#N)CC2)C1 ZINC001066697739 792015420 /nfs/dbraw/zinc/01/54/20/792015420.db2.gz BRIGZBHASGCXPH-GDBMZVCRSA-N 1 2 338.415 0.836 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(c3cc(F)ncn3)CC2)C1 ZINC001066698292 792018356 /nfs/dbraw/zinc/01/83/56/792018356.db2.gz JRFYOCPFUVTKPO-QWHCGFSZSA-N 1 2 332.383 0.498 20 30 ECEDLO CO[C@@H](C)C(=O)N1CC[C@H]([NH+]2CCN(c3ccncc3C#N)CC2)C1 ZINC001066699247 792023086 /nfs/dbraw/zinc/02/30/86/792023086.db2.gz VEBFKQKXPFUXBT-HOCLYGCPSA-N 1 2 343.431 0.711 20 30 ECEDLO CO[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001066699502 792024588 /nfs/dbraw/zinc/02/45/88/792024588.db2.gz ZOEHMYIPFZRZAE-UKRRQHHQSA-N 1 2 344.419 0.106 20 30 ECEDLO CC1(C(=O)N2CC[C@@H]([NH+]3CCN(c4cncc(C#N)n4)CC3)C2)CC1 ZINC001066709880 792035772 /nfs/dbraw/zinc/03/57/72/792035772.db2.gz ZKMMGPWTCOXKPZ-OAHLLOKOSA-N 1 2 340.431 0.871 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCN(c2cnc(C#N)cn2)CC1 ZINC001066756609 792111553 /nfs/dbraw/zinc/11/15/53/792111553.db2.gz ZPGYXHULERXFKV-CYBMUJFWSA-N 1 2 339.403 0.800 20 30 ECEDLO N#Cc1cnc(N2CCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)cn1 ZINC001066793450 792175203 /nfs/dbraw/zinc/17/52/03/792175203.db2.gz GDDVLOKOQNBOEH-LBPRGKRZSA-N 1 2 325.376 0.789 20 30 ECEDLO N#Cc1cncc(N2CCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)n1 ZINC001066794679 792175689 /nfs/dbraw/zinc/17/56/89/792175689.db2.gz VGYMQGHCERSDDD-GFCCVEGCSA-N 1 2 325.376 0.789 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1)c1ccc(C#N)cn1 ZINC001067748847 792221274 /nfs/dbraw/zinc/22/12/74/792221274.db2.gz GWXVGZJWUOYZKX-HZPDHXFCSA-N 1 2 343.431 0.711 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1)c1ccc(C#N)cn1 ZINC001067748847 792221280 /nfs/dbraw/zinc/22/12/80/792221280.db2.gz GWXVGZJWUOYZKX-HZPDHXFCSA-N 1 2 343.431 0.711 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1)c1cncc(C#N)n1 ZINC001067749761 792223639 /nfs/dbraw/zinc/22/36/39/792223639.db2.gz ZDRCMVNMWIAISR-GJZGRUSLSA-N 1 2 344.419 0.106 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1)c1cncc(C#N)n1 ZINC001067749761 792223646 /nfs/dbraw/zinc/22/36/46/792223646.db2.gz ZDRCMVNMWIAISR-GJZGRUSLSA-N 1 2 344.419 0.106 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C)c1cnc(C#N)cn1 ZINC001067768212 792256048 /nfs/dbraw/zinc/25/60/48/792256048.db2.gz QPAXOSGPMJAECW-CQSZACIVSA-N 1 2 339.403 0.752 20 30 ECEDLO N#Cc1ccc(N[C@]2(CO)CCCN(C(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001066909290 792353553 /nfs/dbraw/zinc/35/35/53/792353553.db2.gz QHAYKDRRZQEKJP-QGZVFWFLSA-N 1 2 340.387 0.615 20 30 ECEDLO C[C@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067966677 792519737 /nfs/dbraw/zinc/51/97/37/792519737.db2.gz FBLFKOCBOULCRD-RYUDHWBXSA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1Nc1ccnc(C#N)n1 ZINC001067217566 792831555 /nfs/dbraw/zinc/83/15/55/792831555.db2.gz KBOBKOAZEZOTQK-WCQYABFASA-N 1 2 325.376 0.385 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1Nc1ccnc(C#N)n1 ZINC001067217566 792831562 /nfs/dbraw/zinc/83/15/62/792831562.db2.gz KBOBKOAZEZOTQK-WCQYABFASA-N 1 2 325.376 0.385 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1Nc1ccc(C#N)nn1 ZINC001067227560 792848880 /nfs/dbraw/zinc/84/88/80/792848880.db2.gz PAUKQKBJDUULQN-JSGCOSHPSA-N 1 2 339.403 0.973 20 30 ECEDLO C[C@@H](Nc1cnc(C#N)cn1)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001068237564 792902317 /nfs/dbraw/zinc/90/23/17/792902317.db2.gz YTOBRRQJTKBVEB-YPMHNXCESA-N 1 2 341.375 0.342 20 30 ECEDLO C[C@H]1C[C@H](CNc2ccc(C#N)nn2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001068349068 793098198 /nfs/dbraw/zinc/09/81/98/793098198.db2.gz WNPYATWIHMYOLB-NWDGAFQWSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@H]1CN(c2ccc(C#N)nn2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067402746 793103301 /nfs/dbraw/zinc/10/33/01/793103301.db2.gz JXHYISZDTSDPQJ-GXTWGEPZSA-N 1 2 325.376 0.576 20 30 ECEDLO C[C@@H]1CN(c2ccc(C#N)nn2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067402749 793103417 /nfs/dbraw/zinc/10/34/17/793103417.db2.gz JXHYISZDTSDPQJ-TZMCWYRMSA-N 1 2 325.376 0.576 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001067431946 793149879 /nfs/dbraw/zinc/14/98/79/793149879.db2.gz ZIVCYAXVBAUZRW-LSDHHAIUSA-N 1 2 348.447 0.934 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001067431946 793149888 /nfs/dbraw/zinc/14/98/88/793149888.db2.gz ZIVCYAXVBAUZRW-LSDHHAIUSA-N 1 2 348.447 0.934 20 30 ECEDLO C[C@@H]1C[C@@H](CNc2cncc(C#N)n2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001068376147 793151095 /nfs/dbraw/zinc/15/10/95/793151095.db2.gz QAFNLFNMTWWCQB-NEPJUHHUSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@H]1C[C@@H](CNc2ccnc(C#N)n2)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001068380944 793158714 /nfs/dbraw/zinc/15/87/14/793158714.db2.gz NDAXKWUNARLCPV-STQMWFEESA-N 1 2 339.403 0.775 20 30 ECEDLO C[C@H]1C[C@@H](CNc2ccnc(C#N)n2)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001068380944 793158717 /nfs/dbraw/zinc/15/87/17/793158717.db2.gz NDAXKWUNARLCPV-STQMWFEESA-N 1 2 339.403 0.775 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)CC[NH2+]Cc2nc(N(C)C)no2)c1 ZINC001267425587 837397478 /nfs/dbraw/zinc/39/74/78/837397478.db2.gz CSKKTRSIFYJVFT-UHFFFAOYSA-N 1 2 328.376 0.374 20 30 ECEDLO C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001267495810 837566536 /nfs/dbraw/zinc/56/65/36/837566536.db2.gz GTMSTTAZQQFEEQ-GJZGRUSLSA-N 1 2 326.462 0.900 20 30 ECEDLO C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001267495810 837566542 /nfs/dbraw/zinc/56/65/42/837566542.db2.gz GTMSTTAZQQFEEQ-GJZGRUSLSA-N 1 2 326.462 0.900 20 30 ECEDLO CN(CC[NH+]1CCN(Cc2cnsn2)CC1)C(=O)C#CC1CC1 ZINC001267572859 837810953 /nfs/dbraw/zinc/81/09/53/837810953.db2.gz ZNVWNQSLOZBYOL-UHFFFAOYSA-N 1 2 333.461 0.528 20 30 ECEDLO C=C(C)CCC(=O)N(C)CCN1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC001267572481 837811634 /nfs/dbraw/zinc/81/16/34/837811634.db2.gz LZHJHQSTYWKLCE-MRXNPFEDSA-N 1 2 336.480 0.697 20 30 ECEDLO CC#CCN1CC[NH+](CCN(C)C(=O)c2cnn(C)c2CC)CC1 ZINC001267573292 837814694 /nfs/dbraw/zinc/81/46/94/837814694.db2.gz NTRIADDEARRZQZ-UHFFFAOYSA-N 1 2 331.464 0.695 20 30 ECEDLO C=CCC(C)(C)C(=O)N(C)CCN1CC[NH+]([C@@H](CC)C(N)=O)CC1 ZINC001267575378 837826102 /nfs/dbraw/zinc/82/61/02/837826102.db2.gz CQUGDAHWFFARJV-HNNXBMFYSA-N 1 2 338.496 0.929 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CCN(C)C(=O)C(C)(C)CC)CC1 ZINC001267574988 837824120 /nfs/dbraw/zinc/82/41/20/837824120.db2.gz ZEFPGFSBPHQZNL-UHFFFAOYSA-N 1 2 338.496 0.801 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)Oc2ccccc2)C1 ZINC001266248311 835554191 /nfs/dbraw/zinc/55/41/91/835554191.db2.gz JKDQWQUVWZIBRA-JKSUJKDBSA-N 1 2 343.427 0.784 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)Oc2ccccc2)C1 ZINC001266248311 835554196 /nfs/dbraw/zinc/55/41/96/835554196.db2.gz JKDQWQUVWZIBRA-JKSUJKDBSA-N 1 2 343.427 0.784 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC001266248043 835554471 /nfs/dbraw/zinc/55/44/71/835554471.db2.gz CLHIIHOIDDNUJM-OAHLLOKOSA-N 1 2 335.354 0.908 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC001266248043 835554476 /nfs/dbraw/zinc/55/44/76/835554476.db2.gz CLHIIHOIDDNUJM-OAHLLOKOSA-N 1 2 335.354 0.908 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCCn2cccn2)C1 ZINC001266252392 835557870 /nfs/dbraw/zinc/55/78/70/835557870.db2.gz SNFVFOCJJJDSLP-HNNXBMFYSA-N 1 2 333.436 0.546 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCCn2cccn2)C1 ZINC001266252392 835557872 /nfs/dbraw/zinc/55/78/72/835557872.db2.gz SNFVFOCJJJDSLP-HNNXBMFYSA-N 1 2 333.436 0.546 20 30 ECEDLO COCC#CCN1CC[NH+](CCNC(=O)Cc2cncc(C)c2)CC1 ZINC001266289847 835633387 /nfs/dbraw/zinc/63/33/87/835633387.db2.gz FAUWOXVVUUHZFM-UHFFFAOYSA-N 1 2 344.459 0.316 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cccc2c1O[C@H](C)C2 ZINC001266298478 835653510 /nfs/dbraw/zinc/65/35/10/835653510.db2.gz JLXREKWXNVZMRA-CYBMUJFWSA-N 1 2 331.416 0.974 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cccc2c1O[C@H](C)C2 ZINC001266298478 835653515 /nfs/dbraw/zinc/65/35/15/835653515.db2.gz JLXREKWXNVZMRA-CYBMUJFWSA-N 1 2 331.416 0.974 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2c(C)nn(C)c2C)C1 ZINC001266333432 835716391 /nfs/dbraw/zinc/71/63/91/835716391.db2.gz MYQDBRKXZQDMIW-AWEZNQCLSA-N 1 2 333.436 0.072 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2c(C)nn(C)c2C)C1 ZINC001266333432 835716395 /nfs/dbraw/zinc/71/63/95/835716395.db2.gz MYQDBRKXZQDMIW-AWEZNQCLSA-N 1 2 333.436 0.072 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N[C@@H](C)CC)C2)nn1 ZINC001266346555 835736219 /nfs/dbraw/zinc/73/62/19/835736219.db2.gz CXQKTNHUYZIFER-KBPBESRZSA-N 1 2 348.451 0.573 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)N[C@@H](C)CC)C2)nn1 ZINC001266346555 835736228 /nfs/dbraw/zinc/73/62/28/835736228.db2.gz CXQKTNHUYZIFER-KBPBESRZSA-N 1 2 348.451 0.573 20 30 ECEDLO CCn1ncc(C(=O)NCC[N@H+](C)CC(=O)NCC#N)c1C1CC1 ZINC001266346765 835737020 /nfs/dbraw/zinc/73/70/20/835737020.db2.gz BQRXOPSFBQXDRJ-UHFFFAOYSA-N 1 2 332.408 0.082 20 30 ECEDLO CCn1ncc(C(=O)NCC[N@@H+](C)CC(=O)NCC#N)c1C1CC1 ZINC001266346765 835737026 /nfs/dbraw/zinc/73/70/26/835737026.db2.gz BQRXOPSFBQXDRJ-UHFFFAOYSA-N 1 2 332.408 0.082 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N[C@H](C)C3CC3)C2)nc1 ZINC001266352661 835753012 /nfs/dbraw/zinc/75/30/12/835753012.db2.gz FLVJOXAEMVKQIK-CJNGLKHVSA-N 1 2 340.427 0.782 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N[C@H](C)C3CC3)C2)nc1 ZINC001266352661 835753017 /nfs/dbraw/zinc/75/30/17/835753017.db2.gz FLVJOXAEMVKQIK-CJNGLKHVSA-N 1 2 340.427 0.782 20 30 ECEDLO C#Cc1cncc(C(=O)NCC[N@@H+](CC)Cc2cnnn2CC)c1 ZINC001266416150 835821727 /nfs/dbraw/zinc/82/17/27/835821727.db2.gz BMSDFBAEWXMFKE-UHFFFAOYSA-N 1 2 326.404 0.926 20 30 ECEDLO C#Cc1cncc(C(=O)NCC[N@H+](CC)Cc2cnnn2CC)c1 ZINC001266416150 835821736 /nfs/dbraw/zinc/82/17/36/835821736.db2.gz BMSDFBAEWXMFKE-UHFFFAOYSA-N 1 2 326.404 0.926 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2nccn2c1 ZINC001266488826 835888288 /nfs/dbraw/zinc/88/82/88/835888288.db2.gz QDGFONCYJXAMEQ-CQSZACIVSA-N 1 2 340.387 0.168 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2nccn2c1 ZINC001266488826 835888294 /nfs/dbraw/zinc/88/82/94/835888294.db2.gz QDGFONCYJXAMEQ-CQSZACIVSA-N 1 2 340.387 0.168 20 30 ECEDLO COCC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COCc1ncc(C)o1 ZINC001266489850 835890167 /nfs/dbraw/zinc/89/01/67/835890167.db2.gz SUXUSQGAWKDPGB-IYBDPMFKSA-N 1 2 347.415 0.825 20 30 ECEDLO COCC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COCc1ncc(C)o1 ZINC001266489850 835890172 /nfs/dbraw/zinc/89/01/72/835890172.db2.gz SUXUSQGAWKDPGB-IYBDPMFKSA-N 1 2 347.415 0.825 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cccnc1OCC ZINC001266491742 835891241 /nfs/dbraw/zinc/89/12/41/835891241.db2.gz AVBBQAKZLBRKRB-AWEZNQCLSA-N 1 2 346.431 0.977 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccnc1OCC ZINC001266491742 835891249 /nfs/dbraw/zinc/89/12/49/835891249.db2.gz AVBBQAKZLBRKRB-AWEZNQCLSA-N 1 2 346.431 0.977 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2nnnn2CCC)C1 ZINC001266513856 835924523 /nfs/dbraw/zinc/92/45/23/835924523.db2.gz IAOXCACGYWAUNY-KGLIPLIRSA-N 1 2 334.424 0.060 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2nnnn2CCC)C1 ZINC001266513856 835924527 /nfs/dbraw/zinc/92/45/27/835924527.db2.gz IAOXCACGYWAUNY-KGLIPLIRSA-N 1 2 334.424 0.060 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)C1CC(F)(F)C1 ZINC001266839911 836367715 /nfs/dbraw/zinc/36/77/15/836367715.db2.gz LHHMXCWUVVRVNZ-GFCCVEGCSA-N 1 2 328.363 0.642 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC(F)(F)C1 ZINC001266839911 836367724 /nfs/dbraw/zinc/36/77/24/836367724.db2.gz LHHMXCWUVVRVNZ-GFCCVEGCSA-N 1 2 328.363 0.642 20 30 ECEDLO CCS(=O)(=O)NCC[N@@H+]1CCCC[C@H]1CNC(=O)C#CC(C)C ZINC001266842933 836369499 /nfs/dbraw/zinc/36/94/99/836369499.db2.gz XSNJUNCHODCKKW-HNNXBMFYSA-N 1 2 343.493 0.556 20 30 ECEDLO CCS(=O)(=O)NCC[N@H+]1CCCC[C@H]1CNC(=O)C#CC(C)C ZINC001266842933 836369508 /nfs/dbraw/zinc/36/95/08/836369508.db2.gz XSNJUNCHODCKKW-HNNXBMFYSA-N 1 2 343.493 0.556 20 30 ECEDLO CC(C)C#CC(=O)NCC[N@H+](C)[C@H]1CCN(c2ccn(C)n2)C1=O ZINC001267195235 836959989 /nfs/dbraw/zinc/95/99/89/836959989.db2.gz SMXBHNDPGOFFDF-AWEZNQCLSA-N 1 2 331.420 0.233 20 30 ECEDLO CC(C)C#CC(=O)NCC[N@@H+](C)[C@H]1CCN(c2ccn(C)n2)C1=O ZINC001267195235 836959998 /nfs/dbraw/zinc/95/99/98/836959998.db2.gz SMXBHNDPGOFFDF-AWEZNQCLSA-N 1 2 331.420 0.233 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)CCNC(=O)c1cnn2c1CCC2 ZINC001267199781 836969949 /nfs/dbraw/zinc/96/99/49/836969949.db2.gz WMNXDLHVXPRROV-UHFFFAOYSA-N 1 2 347.463 0.916 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)CCNC(=O)c1cnn2c1CCC2 ZINC001267199781 836969959 /nfs/dbraw/zinc/96/99/59/836969959.db2.gz WMNXDLHVXPRROV-UHFFFAOYSA-N 1 2 347.463 0.916 20 30 ECEDLO Cc1cccc2c(CC(=O)NCC[N@@H+](C)CC(=O)NCC#N)c[nH]c21 ZINC001267220003 837010990 /nfs/dbraw/zinc/01/09/90/837010990.db2.gz FJKKJOFXKHTZKB-UHFFFAOYSA-N 1 2 341.415 0.707 20 30 ECEDLO Cc1cccc2c(CC(=O)NCC[N@H+](C)CC(=O)NCC#N)c[nH]c21 ZINC001267220003 837010998 /nfs/dbraw/zinc/01/09/98/837010998.db2.gz FJKKJOFXKHTZKB-UHFFFAOYSA-N 1 2 341.415 0.707 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCC(C)(C)C ZINC001267266760 837103400 /nfs/dbraw/zinc/10/34/00/837103400.db2.gz ILONBYFNBNLXMU-CABCVRRESA-N 1 2 337.464 0.768 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCC(C)(C)C ZINC001267266760 837103407 /nfs/dbraw/zinc/10/34/07/837103407.db2.gz ILONBYFNBNLXMU-CABCVRRESA-N 1 2 337.464 0.768 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(OC)nn1 ZINC001267266500 837103725 /nfs/dbraw/zinc/10/37/25/837103725.db2.gz FCTXVZWQQXWEIL-HIFRSBDPSA-N 1 2 332.404 0.604 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(OC)nn1 ZINC001267266500 837103736 /nfs/dbraw/zinc/10/37/36/837103736.db2.gz FCTXVZWQQXWEIL-HIFRSBDPSA-N 1 2 332.404 0.604 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC001267270713 837110856 /nfs/dbraw/zinc/11/08/56/837110856.db2.gz VYGLEIIDQYBKBD-NWDGAFQWSA-N 1 2 328.363 0.642 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC001267270713 837110864 /nfs/dbraw/zinc/11/08/64/837110864.db2.gz VYGLEIIDQYBKBD-NWDGAFQWSA-N 1 2 328.363 0.642 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C2CC2)no1 ZINC001267278482 837124691 /nfs/dbraw/zinc/12/46/91/837124691.db2.gz LGQBEJBVJYOYFG-OCCSQVGLSA-N 1 2 344.415 0.884 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cc(C2CC2)no1 ZINC001267278482 837124693 /nfs/dbraw/zinc/12/46/93/837124693.db2.gz LGQBEJBVJYOYFG-OCCSQVGLSA-N 1 2 344.415 0.884 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1coc(C2CCC2)n1 ZINC001267279589 837124886 /nfs/dbraw/zinc/12/48/86/837124886.db2.gz HSKJENAKCZUYMC-CYBMUJFWSA-N 1 2 345.403 0.776 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1coc(C2CCC2)n1 ZINC001267279589 837124894 /nfs/dbraw/zinc/12/48/94/837124894.db2.gz HSKJENAKCZUYMC-CYBMUJFWSA-N 1 2 345.403 0.776 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2ncnn2CCC)C1 ZINC001267292443 837143815 /nfs/dbraw/zinc/14/38/15/837143815.db2.gz AUZDTOSLHJBTSU-LSDHHAIUSA-N 1 2 333.436 0.665 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2ncnn2CCC)C1 ZINC001267292443 837143818 /nfs/dbraw/zinc/14/38/18/837143818.db2.gz AUZDTOSLHJBTSU-LSDHHAIUSA-N 1 2 333.436 0.665 20 30 ECEDLO C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCNS(C)(=O)=O ZINC001267410449 837365739 /nfs/dbraw/zinc/36/57/39/837365739.db2.gz QGFJWDAIZJXHOH-OKILXGFUSA-N 1 2 329.466 0.567 20 30 ECEDLO C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCNS(C)(=O)=O ZINC001267410449 837365747 /nfs/dbraw/zinc/36/57/47/837365747.db2.gz QGFJWDAIZJXHOH-OKILXGFUSA-N 1 2 329.466 0.567 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2nc(N(C)C)no2)C1 ZINC001267583634 837853144 /nfs/dbraw/zinc/85/31/44/837853144.db2.gz UCVZGZCWKWLTCX-KGLIPLIRSA-N 1 2 349.435 0.454 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2nc(N(C)C)no2)C1 ZINC001267583634 837853154 /nfs/dbraw/zinc/85/31/54/837853154.db2.gz UCVZGZCWKWLTCX-KGLIPLIRSA-N 1 2 349.435 0.454 20 30 ECEDLO CCn1cc(C(=O)N(C)CC[NH+]2CCN(CC#N)CC2)c(C2CC2)n1 ZINC001267607268 837949929 /nfs/dbraw/zinc/94/99/29/837949929.db2.gz BRXBXOXMZSWJHP-UHFFFAOYSA-N 1 2 344.463 0.994 20 30 ECEDLO C#CCN1CC[NH+](CCN(C)C(=O)[C@H](OCC)[C@@H]2CCOC2)CC1 ZINC001267608758 837959536 /nfs/dbraw/zinc/95/95/36/837959536.db2.gz BXTYAVKGTHIPRM-IAGOWNOFSA-N 1 2 337.464 0.137 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NCC=C)C2)cn1 ZINC001267620143 838056776 /nfs/dbraw/zinc/05/67/76/838056776.db2.gz VWTQPSHMANFZFB-MRXNPFEDSA-N 1 2 326.400 0.559 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NCC=C)C2)cn1 ZINC001267620143 838056788 /nfs/dbraw/zinc/05/67/88/838056788.db2.gz VWTQPSHMANFZFB-MRXNPFEDSA-N 1 2 326.400 0.559 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)c2cc(C)nn2C)C1 ZINC001267622642 838065574 /nfs/dbraw/zinc/06/55/74/838065574.db2.gz JEXXRZLVCOKGDA-KBPBESRZSA-N 1 2 331.420 0.061 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2cc(C)nn2C)C1 ZINC001267622642 838065588 /nfs/dbraw/zinc/06/55/88/838065588.db2.gz JEXXRZLVCOKGDA-KBPBESRZSA-N 1 2 331.420 0.061 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)/C(C)=C/C)C1 ZINC001267624123 838068418 /nfs/dbraw/zinc/06/84/18/838068418.db2.gz RAAFZIBQPKJOFB-BDPFXEMMSA-N 1 2 336.436 0.934 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)/C(C)=C/C)C1 ZINC001267624123 838068433 /nfs/dbraw/zinc/06/84/33/838068433.db2.gz RAAFZIBQPKJOFB-BDPFXEMMSA-N 1 2 336.436 0.934 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)c2cc(OC)ccn2)C1 ZINC001267629537 838085392 /nfs/dbraw/zinc/08/53/92/838085392.db2.gz YMXOZRWUXPPJCS-KGLIPLIRSA-N 1 2 346.431 0.975 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2cc(OC)ccn2)C1 ZINC001267629537 838085402 /nfs/dbraw/zinc/08/54/02/838085402.db2.gz YMXOZRWUXPPJCS-KGLIPLIRSA-N 1 2 346.431 0.975 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCc2cncs2)C1 ZINC001267631266 838091410 /nfs/dbraw/zinc/09/14/10/838091410.db2.gz AGWYKZRYUSGOHM-ZDUSSCGKSA-N 1 2 334.445 0.406 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCc2cncs2)C1 ZINC001267631266 838091422 /nfs/dbraw/zinc/09/14/22/838091422.db2.gz AGWYKZRYUSGOHM-ZDUSSCGKSA-N 1 2 334.445 0.406 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2nnn(C(C)C)c2C)C1 ZINC001267631706 838091895 /nfs/dbraw/zinc/09/18/95/838091895.db2.gz BVWCXPYSXHNZGA-AWEZNQCLSA-N 1 2 346.435 0.111 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2nnn(C(C)C)c2C)C1 ZINC001267631706 838091902 /nfs/dbraw/zinc/09/19/02/838091902.db2.gz BVWCXPYSXHNZGA-AWEZNQCLSA-N 1 2 346.435 0.111 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NC1C[NH+](Cc2ccn(C)c(=O)c2)C1 ZINC001267661630 838181628 /nfs/dbraw/zinc/18/16/28/838181628.db2.gz MOGCJNIJXAKWNC-INIZCTEOSA-N 1 2 346.431 0.157 20 30 ECEDLO C=CCOCC[NH+]1CC(NC(=O)Cn2c(=O)oc3ccccc32)C1 ZINC001267670968 838206841 /nfs/dbraw/zinc/20/68/41/838206841.db2.gz YJPKHPUXEMVQAY-UHFFFAOYSA-N 1 2 331.372 0.598 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC1C[NH+](CC(=O)N2CCCCCCC2)C1 ZINC001267681436 838242165 /nfs/dbraw/zinc/24/21/65/838242165.db2.gz MWCBYDSIFMUBHV-MRXNPFEDSA-N 1 2 349.475 0.865 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2ncoc2[C@@H]2CCCO2)C1 ZINC001267687421 838255356 /nfs/dbraw/zinc/25/53/56/838255356.db2.gz DLCCFLBFFBQTTC-ZDUSSCGKSA-N 1 2 348.403 0.490 20 30 ECEDLO C=CCC(C)(C)C(=O)NCC1C[NH+](CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001267693447 838276782 /nfs/dbraw/zinc/27/67/82/838276782.db2.gz FTMLQEXWAQHVAO-AWEZNQCLSA-N 1 2 337.464 0.884 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(F)cn1 ZINC001267708317 838316236 /nfs/dbraw/zinc/31/62/36/838316236.db2.gz HSSMHONPDKTFJS-KCXAZCMYSA-N 1 2 344.390 0.186 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(F)cn1 ZINC001267708317 838316238 /nfs/dbraw/zinc/31/62/38/838316238.db2.gz HSSMHONPDKTFJS-KCXAZCMYSA-N 1 2 344.390 0.186 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2cnc(OC)nc2C)C1 ZINC001267723980 838382132 /nfs/dbraw/zinc/38/21/32/838382132.db2.gz NCYVYHCVRDDRKR-ZFWWWQNUSA-N 1 2 332.404 0.522 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2cnc(OC)nc2C)C1 ZINC001267723980 838382140 /nfs/dbraw/zinc/38/21/40/838382140.db2.gz NCYVYHCVRDDRKR-ZFWWWQNUSA-N 1 2 332.404 0.522 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@H+](CC(=O)NCCC(C)(C)C)C1 ZINC001267724643 838387898 /nfs/dbraw/zinc/38/78/98/838387898.db2.gz YZLFNNAEDAUHEM-CABCVRRESA-N 1 2 337.464 0.768 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCCC(C)(C)C)C1 ZINC001267724643 838387907 /nfs/dbraw/zinc/38/79/07/838387907.db2.gz YZLFNNAEDAUHEM-CABCVRRESA-N 1 2 337.464 0.768 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(=O)[nH]c(C3CC3)c2)C1 ZINC001267726263 838400219 /nfs/dbraw/zinc/40/02/19/838400219.db2.gz YYZRDXNYIHVCHT-AWEZNQCLSA-N 1 2 342.399 0.218 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(=O)[nH]c(C3CC3)c2)C1 ZINC001267726263 838400223 /nfs/dbraw/zinc/40/02/23/838400223.db2.gz YYZRDXNYIHVCHT-AWEZNQCLSA-N 1 2 342.399 0.218 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC001267734062 838427770 /nfs/dbraw/zinc/42/77/70/838427770.db2.gz RQYFSVRACSMABM-LBPRGKRZSA-N 1 2 327.388 0.669 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC001267734062 838427774 /nfs/dbraw/zinc/42/77/74/838427774.db2.gz RQYFSVRACSMABM-LBPRGKRZSA-N 1 2 327.388 0.669 20 30 ECEDLO C[C@H](Cc1ccccc1F)C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267748956 838462833 /nfs/dbraw/zinc/46/28/33/838462833.db2.gz FHTIFOLTTYLAPQ-UKRRQHHQSA-N 1 2 346.406 0.835 20 30 ECEDLO C[C@H](Cc1ccccc1F)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267748956 838462837 /nfs/dbraw/zinc/46/28/37/838462837.db2.gz FHTIFOLTTYLAPQ-UKRRQHHQSA-N 1 2 346.406 0.835 20 30 ECEDLO C=CCC1(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C2)CCC1 ZINC001267749166 838465047 /nfs/dbraw/zinc/46/50/47/838465047.db2.gz NOJFPPYTMYWODG-QWHCGFSZSA-N 1 2 336.436 0.767 20 30 ECEDLO C=CCC1(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(=O)NC(=O)NC)C2)CCC1 ZINC001267749166 838465051 /nfs/dbraw/zinc/46/50/51/838465051.db2.gz NOJFPPYTMYWODG-QWHCGFSZSA-N 1 2 336.436 0.767 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cccc(OC)c2F)C1 ZINC001267750588 838470810 /nfs/dbraw/zinc/47/08/10/838470810.db2.gz CEGBMCXXPKDZGB-CHWSQXEVSA-N 1 2 347.390 0.776 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cccc(OC)c2F)C1 ZINC001267750588 838470814 /nfs/dbraw/zinc/47/08/14/838470814.db2.gz CEGBMCXXPKDZGB-CHWSQXEVSA-N 1 2 347.390 0.776 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH]c(C)nc32)C1 ZINC001267751133 838471056 /nfs/dbraw/zinc/47/10/56/838471056.db2.gz XGPXYFGTAALBND-CYBMUJFWSA-N 1 2 339.399 0.425 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH]c(C)nc32)C1 ZINC001267751133 838471059 /nfs/dbraw/zinc/47/10/59/838471059.db2.gz XGPXYFGTAALBND-CYBMUJFWSA-N 1 2 339.399 0.425 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc3c(c2)COC3)C1 ZINC001267752008 838472775 /nfs/dbraw/zinc/47/27/75/838472775.db2.gz QVUOEYPRMQHTOY-MRXNPFEDSA-N 1 2 342.399 0.090 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc3c(c2)COC3)C1 ZINC001267752008 838472781 /nfs/dbraw/zinc/47/27/81/838472781.db2.gz QVUOEYPRMQHTOY-MRXNPFEDSA-N 1 2 342.399 0.090 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2sc(C)nc2C)C1 ZINC001267776703 838541888 /nfs/dbraw/zinc/54/18/88/838541888.db2.gz DNAVPIWVGKUQNG-ZDUSSCGKSA-N 1 2 334.445 0.656 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2sc(C)nc2C)C1 ZINC001267776703 838541899 /nfs/dbraw/zinc/54/18/99/838541899.db2.gz DNAVPIWVGKUQNG-ZDUSSCGKSA-N 1 2 334.445 0.656 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)c2c[nH]nc2C2CC2)C1 ZINC001267789839 838570784 /nfs/dbraw/zinc/57/07/84/838570784.db2.gz JFNOZZQNVJJDNT-CQSZACIVSA-N 1 2 343.431 0.573 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2c[nH]nc2C2CC2)C1 ZINC001267789839 838570788 /nfs/dbraw/zinc/57/07/88/838570788.db2.gz JFNOZZQNVJJDNT-CQSZACIVSA-N 1 2 343.431 0.573 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2n[nH]c(C)c2C)C1 ZINC001267919755 838794155 /nfs/dbraw/zinc/79/41/55/838794155.db2.gz UEZOUCQGPAXKTL-UONOGXRCSA-N 1 2 331.420 0.359 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2n[nH]c(C)c2C)C1 ZINC001267919755 838794165 /nfs/dbraw/zinc/79/41/65/838794165.db2.gz UEZOUCQGPAXKTL-UONOGXRCSA-N 1 2 331.420 0.359 20 30 ECEDLO C#CCCCC(=O)NC[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)CCO1 ZINC001268020851 838994719 /nfs/dbraw/zinc/99/47/19/838994719.db2.gz MNDGJQQOYDMGHL-MRXNPFEDSA-N 1 2 331.416 0.506 20 30 ECEDLO C#CCCCC(=O)NC[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)CCO1 ZINC001268020851 838994730 /nfs/dbraw/zinc/99/47/30/838994730.db2.gz MNDGJQQOYDMGHL-MRXNPFEDSA-N 1 2 331.416 0.506 20 30 ECEDLO CC[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cc2F)CCO1 ZINC000427853136 210224116 /nfs/dbraw/zinc/22/41/16/210224116.db2.gz OGEQZJVEDFCAFO-ZDUSSCGKSA-N 1 2 348.378 0.863 20 30 ECEDLO CC[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cc2F)CCO1 ZINC000427853136 210224120 /nfs/dbraw/zinc/22/41/20/210224120.db2.gz OGEQZJVEDFCAFO-ZDUSSCGKSA-N 1 2 348.378 0.863 20 30 ECEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cn1cnc(C#N)n1)c1ccccc1F ZINC000425956289 210125113 /nfs/dbraw/zinc/12/51/13/210125113.db2.gz WGRVHOIMQBIVLV-HNNXBMFYSA-N 1 2 339.334 0.928 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](O)c2ccccc2)CC1 ZINC000077987109 201184271 /nfs/dbraw/zinc/18/42/71/201184271.db2.gz QCUVDZWDEIAUEB-KRWDZBQOSA-N 1 2 329.400 0.004 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](O)c2ccccc2)CC1 ZINC000077987109 201184275 /nfs/dbraw/zinc/18/42/75/201184275.db2.gz QCUVDZWDEIAUEB-KRWDZBQOSA-N 1 2 329.400 0.004 20 30 ECEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(Cc2noc(CC)n2)CC1 ZINC000267407724 201222804 /nfs/dbraw/zinc/22/28/04/201222804.db2.gz SGZDADLDFMUKTL-UHFFFAOYSA-N 1 2 333.436 0.950 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2ncc(C)s2)CC1 ZINC000267412846 201223393 /nfs/dbraw/zinc/22/33/93/201223393.db2.gz IOUKHNNSOSWMCY-GFCCVEGCSA-N 1 2 337.449 0.974 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccccc2C)CC1 ZINC000264207838 201209756 /nfs/dbraw/zinc/20/97/56/201209756.db2.gz VFQUSBWQZVHIBJ-UHFFFAOYSA-N 1 2 327.428 0.821 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccccc2C)CC1 ZINC000264207838 201209759 /nfs/dbraw/zinc/20/97/59/201209759.db2.gz VFQUSBWQZVHIBJ-UHFFFAOYSA-N 1 2 327.428 0.821 20 30 ECEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2scnc2C(=O)OC)CC1 ZINC000274155320 201265370 /nfs/dbraw/zinc/26/53/70/201265370.db2.gz LNRAGEPQFHMOOI-UHFFFAOYSA-N 1 2 345.446 0.858 20 30 ECEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)n1 ZINC000279721964 201322598 /nfs/dbraw/zinc/32/25/98/201322598.db2.gz LYDOLQIHPRMMKP-GJZGRUSLSA-N 1 2 345.447 0.451 20 30 ECEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)n1 ZINC000279721964 201322600 /nfs/dbraw/zinc/32/26/00/201322600.db2.gz LYDOLQIHPRMMKP-GJZGRUSLSA-N 1 2 345.447 0.451 20 30 ECEDLO N#Cc1c(C[N@H+]2CCCN(S(N)(=O)=O)CC2)cn2ccccc12 ZINC000363510698 205243526 /nfs/dbraw/zinc/24/35/26/205243526.db2.gz BSRKGSIEFYDIRY-UHFFFAOYSA-N 1 2 333.417 0.522 20 30 ECEDLO N#Cc1c(C[N@@H+]2CCCN(S(N)(=O)=O)CC2)cn2ccccc12 ZINC000363510698 205243529 /nfs/dbraw/zinc/24/35/29/205243529.db2.gz BSRKGSIEFYDIRY-UHFFFAOYSA-N 1 2 333.417 0.522 20 30 ECEDLO N#Cc1cccnc1N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174813644 207060548 /nfs/dbraw/zinc/06/05/48/207060548.db2.gz WOEORMXUOMOENQ-UHFFFAOYSA-N 1 2 327.348 0.880 20 30 ECEDLO CN1CC[NH+](Cc2cccc(NC(=O)Cn3cnc(C#N)n3)c2)CC1 ZINC000532024269 269692714 /nfs/dbraw/zinc/69/27/14/269692714.db2.gz JDSYEVJFQSORHH-UHFFFAOYSA-N 1 2 339.403 0.536 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000374454080 285051224 /nfs/dbraw/zinc/05/12/24/285051224.db2.gz UJHOEIZCFJYTKU-RBSFLKMASA-N 1 2 344.481 0.556 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000374454080 285051228 /nfs/dbraw/zinc/05/12/28/285051228.db2.gz UJHOEIZCFJYTKU-RBSFLKMASA-N 1 2 344.481 0.556 20 30 ECEDLO C=CCN(CC=C)C(=O)CN1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000130143746 254497506 /nfs/dbraw/zinc/49/75/06/254497506.db2.gz FSZZTCGSHLPGBL-QGZVFWFLSA-N 1 2 348.491 0.816 20 30 ECEDLO N#CCOc1ccc(CC(=O)NCCC[N@@H+]2CCNC(=O)C2)cc1 ZINC000271049743 254533981 /nfs/dbraw/zinc/53/39/81/254533981.db2.gz SQEKFJZLEWTCKY-UHFFFAOYSA-N 1 2 330.388 0.070 20 30 ECEDLO N#CCOc1ccc(CC(=O)NCCC[N@H+]2CCNC(=O)C2)cc1 ZINC000271049743 254533982 /nfs/dbraw/zinc/53/39/82/254533982.db2.gz SQEKFJZLEWTCKY-UHFFFAOYSA-N 1 2 330.388 0.070 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(-c3cccn3C)n2C)CC1 ZINC000337915920 254670339 /nfs/dbraw/zinc/67/03/39/254670339.db2.gz UJPXNTJRSACWFR-UHFFFAOYSA-N 1 2 343.435 0.245 20 30 ECEDLO CN(C)c1[nH+]cccc1CNC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000330805134 254643596 /nfs/dbraw/zinc/64/35/96/254643596.db2.gz KNUSFJPVOFZZEQ-LBPRGKRZSA-N 1 2 341.437 0.185 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000451899128 254806015 /nfs/dbraw/zinc/80/60/15/254806015.db2.gz WRFQEJBKSXBELV-MELADBBJSA-N 1 2 330.454 0.166 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000451899128 254806016 /nfs/dbraw/zinc/80/60/16/254806016.db2.gz WRFQEJBKSXBELV-MELADBBJSA-N 1 2 330.454 0.166 20 30 ECEDLO C[C@H](C#N)CNC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496140595 255074550 /nfs/dbraw/zinc/07/45/50/255074550.db2.gz LMXRRILYTGVSOD-OLZOCXBDSA-N 1 2 339.440 0.996 20 30 ECEDLO C[C@H](C#N)CNC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496140595 255074551 /nfs/dbraw/zinc/07/45/51/255074551.db2.gz LMXRRILYTGVSOD-OLZOCXBDSA-N 1 2 339.440 0.996 20 30 ECEDLO N#Cc1ccc(CN2CC[NH+](CCS(N)(=O)=O)CC2)cc1F ZINC000192112053 165041541 /nfs/dbraw/zinc/04/15/41/165041541.db2.gz NLNOWARPOKQFEM-UHFFFAOYSA-N 1 2 326.397 0.103 20 30 ECEDLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000261976502 165271381 /nfs/dbraw/zinc/27/13/81/165271381.db2.gz IUSDZMPJZFDBGL-AWEZNQCLSA-N 1 2 349.391 0.766 20 30 ECEDLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)Cc1cccc(C#N)c1 ZINC000262097107 165290871 /nfs/dbraw/zinc/29/08/71/165290871.db2.gz VHKBDLAUNHYHBE-HNNXBMFYSA-N 1 2 345.428 0.768 20 30 ECEDLO C[C@H](NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)C(=O)N(C)C ZINC000331102240 299006439 /nfs/dbraw/zinc/00/64/39/299006439.db2.gz DOTNTIDYTIEQFP-WFASDCNBSA-N 1 2 344.481 0.175 20 30 ECEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000270925817 263286197 /nfs/dbraw/zinc/28/61/97/263286197.db2.gz WBTZUQGXHRWLNS-CYBMUJFWSA-N 1 2 333.388 0.471 20 30 ECEDLO COC(=O)CC[N@H+](CC(=O)Nc1cccc(C#N)c1)CC(OC)OC ZINC000272766916 263371093 /nfs/dbraw/zinc/37/10/93/263371093.db2.gz SBUXNRIIECJQNO-UHFFFAOYSA-N 1 2 349.387 0.981 20 30 ECEDLO COC(=O)CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)CC(OC)OC ZINC000272766916 263371095 /nfs/dbraw/zinc/37/10/95/263371095.db2.gz SBUXNRIIECJQNO-UHFFFAOYSA-N 1 2 349.387 0.981 20 30 ECEDLO N#Cc1cc(N2CC[NH+](CC(=O)NC3CC3)CC2)cc(N)c1[N+](=O)[O-] ZINC000283621021 264135558 /nfs/dbraw/zinc/13/55/58/264135558.db2.gz SOXJMYKTIYFQKR-UHFFFAOYSA-N 1 2 344.375 0.449 20 30 ECEDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@@H+]1C[C@H](C)O ZINC000288176581 266381238 /nfs/dbraw/zinc/38/12/38/266381238.db2.gz PADACPQPOMMJRN-NWDGAFQWSA-N 1 2 327.406 0.617 20 30 ECEDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@H+]1C[C@H](C)O ZINC000288176581 266381241 /nfs/dbraw/zinc/38/12/41/266381241.db2.gz PADACPQPOMMJRN-NWDGAFQWSA-N 1 2 327.406 0.617 20 30 ECEDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)Cc2ccc(C#N)nc2)CC1 ZINC000527746102 267055364 /nfs/dbraw/zinc/05/53/64/267055364.db2.gz OVTDODBAGZLXBU-UHFFFAOYSA-N 1 2 343.431 0.508 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000329542515 267064800 /nfs/dbraw/zinc/06/48/00/267064800.db2.gz NSQAXCRGFGUKLI-GFCCVEGCSA-N 1 2 325.376 0.741 20 30 ECEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000301644775 267130981 /nfs/dbraw/zinc/13/09/81/267130981.db2.gz NHAYQEKGSXJKDL-LLVKDONJSA-N 1 2 344.375 0.651 20 30 ECEDLO C[C@H](Oc1ccccc1C#N)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000338139352 267204260 /nfs/dbraw/zinc/20/42/60/267204260.db2.gz KMWXDEFWVFKTPY-ZDUSSCGKSA-N 1 2 330.388 0.264 20 30 ECEDLO C[C@H](Oc1ccccc1C#N)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000338139352 267204262 /nfs/dbraw/zinc/20/42/62/267204262.db2.gz KMWXDEFWVFKTPY-ZDUSSCGKSA-N 1 2 330.388 0.264 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)c2cccnc2C#N)CC[N@@H+]1CC(C)(C)O ZINC000276969999 267237623 /nfs/dbraw/zinc/23/76/23/267237623.db2.gz DLMMUIPBISVXEG-LBPRGKRZSA-N 1 2 338.433 0.419 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)c2cccnc2C#N)CC[N@H+]1CC(C)(C)O ZINC000276969999 267237626 /nfs/dbraw/zinc/23/76/26/267237626.db2.gz DLMMUIPBISVXEG-LBPRGKRZSA-N 1 2 338.433 0.419 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCc1c[nH+]cn1C ZINC000328808169 267240927 /nfs/dbraw/zinc/24/09/27/267240927.db2.gz DSALMXZVLIWRBH-ZDUSSCGKSA-N 1 2 339.403 0.752 20 30 ECEDLO C[C@H]1OCC[C@H]1[N@H+](CCO)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000361579165 267247052 /nfs/dbraw/zinc/24/70/52/267247052.db2.gz BIYSRMLLRVJNNH-CZUORRHYSA-N 1 2 338.429 0.804 20 30 ECEDLO C[C@H]1OCC[C@H]1[N@@H+](CCO)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000361579165 267247054 /nfs/dbraw/zinc/24/70/54/267247054.db2.gz BIYSRMLLRVJNNH-CZUORRHYSA-N 1 2 338.429 0.804 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccc(C#N)nc1 ZINC000529751306 267331123 /nfs/dbraw/zinc/33/11/23/267331123.db2.gz JFFSBMOOMSGWIT-QGZVFWFLSA-N 1 2 330.388 0.299 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccc(C#N)nc1 ZINC000529751306 267331126 /nfs/dbraw/zinc/33/11/26/267331126.db2.gz JFFSBMOOMSGWIT-QGZVFWFLSA-N 1 2 330.388 0.299 20 30 ECEDLO Cc1cc(N2CC[NH+](CC(=O)N3CCOCC3)CC2)cc(C#N)n1 ZINC000341348269 267338995 /nfs/dbraw/zinc/33/89/95/267338995.db2.gz ALAVLNHNENVRHP-UHFFFAOYSA-N 1 2 329.404 0.243 20 30 ECEDLO COC(=O)C[C@H]1C(=O)NCCN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000505751339 267368452 /nfs/dbraw/zinc/36/84/52/267368452.db2.gz QVVIMSCWYOXCKF-ZDUSSCGKSA-N 1 2 327.344 0.069 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCN4CCOC[C@@H]4C3)C2=O)cc1 ZINC000329670556 268124400 /nfs/dbraw/zinc/12/44/00/268124400.db2.gz MXVVTRPIZLCLPQ-DLBZAZTESA-N 1 2 326.400 0.680 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCN4CCOC[C@@H]4C3)C2=O)cc1 ZINC000329670556 268124402 /nfs/dbraw/zinc/12/44/02/268124402.db2.gz MXVVTRPIZLCLPQ-DLBZAZTESA-N 1 2 326.400 0.680 20 30 ECEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@H](S(N)(=O)=O)C3)C2=O)cc1 ZINC000331545067 268126931 /nfs/dbraw/zinc/12/69/31/268126931.db2.gz IKGKYVYXCZANBX-KBPBESRZSA-N 1 2 334.401 0.026 20 30 ECEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@H](S(N)(=O)=O)C3)C2=O)cc1 ZINC000331545067 268126933 /nfs/dbraw/zinc/12/69/33/268126933.db2.gz IKGKYVYXCZANBX-KBPBESRZSA-N 1 2 334.401 0.026 20 30 ECEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)cc1 ZINC000360300549 268212056 /nfs/dbraw/zinc/21/20/56/268212056.db2.gz WAGVOEUUONIUAR-GXTWGEPZSA-N 1 2 336.417 0.085 20 30 ECEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)cc1 ZINC000360300549 268212059 /nfs/dbraw/zinc/21/20/59/268212059.db2.gz WAGVOEUUONIUAR-GXTWGEPZSA-N 1 2 336.417 0.085 20 30 ECEDLO N#Cc1cccc(CNC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000284076780 268249092 /nfs/dbraw/zinc/24/90/92/268249092.db2.gz RSVIXUMGXIIZTG-UHFFFAOYSA-N 1 2 349.394 0.918 20 30 ECEDLO N#Cc1ncccc1S(=O)(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330297772 268329442 /nfs/dbraw/zinc/32/94/42/268329442.db2.gz HBDKLGMIJMGTDG-UHFFFAOYSA-N 1 2 332.389 0.183 20 30 ECEDLO N#Cc1ncn(CCNC(=O)N2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000287064614 268335964 /nfs/dbraw/zinc/33/59/64/268335964.db2.gz VEHWNPKKAWJJDF-UHFFFAOYSA-N 1 2 340.391 0.072 20 30 ECEDLO C[NH+](C)[C@H](CNC(=O)N[C@H]1CCCS(=O)(=O)C1)c1ccco1 ZINC000330714547 437597351 /nfs/dbraw/zinc/59/73/51/437597351.db2.gz XQFOFCWQOKRYQC-NWDGAFQWSA-N 1 2 329.422 0.963 20 30 ECEDLO C=CC[N@@H+](C)CCN(CC)CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000340209171 437599468 /nfs/dbraw/zinc/59/94/68/437599468.db2.gz IWELZZCUNYEUKR-OAHLLOKOSA-N 1 2 345.509 0.462 20 30 ECEDLO C=CC[N@H+](C)CCN(CC)CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000340209171 437599470 /nfs/dbraw/zinc/59/94/70/437599470.db2.gz IWELZZCUNYEUKR-OAHLLOKOSA-N 1 2 345.509 0.462 20 30 ECEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C#N)n2C)CC1 ZINC000448976476 279067868 /nfs/dbraw/zinc/06/78/68/279067868.db2.gz UFFGXWZVFACMKZ-UHFFFAOYSA-N 1 2 345.447 0.913 20 30 ECEDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2ccc(C#N)n2C)CC1 ZINC000448976476 279067870 /nfs/dbraw/zinc/06/78/70/279067870.db2.gz UFFGXWZVFACMKZ-UHFFFAOYSA-N 1 2 345.447 0.913 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116887852 279219241 /nfs/dbraw/zinc/21/92/41/279219241.db2.gz GJDIEZNCMARIBV-OLZOCXBDSA-N 1 2 342.465 0.341 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116887852 279219242 /nfs/dbraw/zinc/21/92/42/279219242.db2.gz GJDIEZNCMARIBV-OLZOCXBDSA-N 1 2 342.465 0.341 20 30 ECEDLO CCN1CC[NH+]([C@@H]2CCN(C([O-])=[NH+][C@@H]3CCc4ncnn4C3)C2)CC1 ZINC000329460907 279366348 /nfs/dbraw/zinc/36/63/48/279366348.db2.gz SEPKGTZCXMPIIU-HUUCEWRRSA-N 1 2 347.467 0.219 20 30 ECEDLO C=CC1CC[NH+](CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000330732316 437601759 /nfs/dbraw/zinc/60/17/59/437601759.db2.gz LBPHPKJDANNQAG-LBPRGKRZSA-N 1 2 329.422 0.102 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)[C@@H](C)C[N@@H+]1CCO ZINC000416671018 288241202 /nfs/dbraw/zinc/24/12/02/288241202.db2.gz VBCUEVWRRVYYFN-NEPJUHHUSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)[C@@H](C)C[N@H+]1CCO ZINC000416671018 288241204 /nfs/dbraw/zinc/24/12/04/288241204.db2.gz VBCUEVWRRVYYFN-NEPJUHHUSA-N 1 2 341.408 0.773 20 30 ECEDLO CS(=O)(=O)NCC[N@H+](CC(=O)NC1(C#N)CCCCC1)C1CC1 ZINC000340216920 437608505 /nfs/dbraw/zinc/60/85/05/437608505.db2.gz FQUFRLWDGQYJCB-UHFFFAOYSA-N 1 2 342.465 0.343 20 30 ECEDLO CS(=O)(=O)NCC[N@@H+](CC(=O)NC1(C#N)CCCCC1)C1CC1 ZINC000340216920 437608513 /nfs/dbraw/zinc/60/85/13/437608513.db2.gz FQUFRLWDGQYJCB-UHFFFAOYSA-N 1 2 342.465 0.343 20 30 ECEDLO C[C@@H]1[C@H](C)S(=O)(=O)CCN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329595235 289022370 /nfs/dbraw/zinc/02/23/70/289022370.db2.gz IBNBJOJLPHWBIX-VWYCJHECSA-N 1 2 326.422 0.688 20 30 ECEDLO C[C@@H]1[C@H](C)S(=O)(=O)CCN1C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329595235 289022372 /nfs/dbraw/zinc/02/23/72/289022372.db2.gz IBNBJOJLPHWBIX-VWYCJHECSA-N 1 2 326.422 0.688 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCO[C@]4(CCSC4)C3)C[C@H]21 ZINC000330234428 290087953 /nfs/dbraw/zinc/08/79/53/290087953.db2.gz SQVZFWAHJJXYBK-IXYNUQLISA-N 1 2 341.477 0.970 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCO[C@]4(CCSC4)C3)C[C@H]21 ZINC000330234428 290087956 /nfs/dbraw/zinc/08/79/56/290087956.db2.gz SQVZFWAHJJXYBK-IXYNUQLISA-N 1 2 341.477 0.970 20 30 ECEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NCC1([S@@](C)=O)CCC1 ZINC000329604078 297804983 /nfs/dbraw/zinc/80/49/83/297804983.db2.gz LOOOEZUMDHKVSH-GJDIJTJZSA-N 1 2 343.493 0.997 20 30 ECEDLO C=C(C)C[N@@H+](CC)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000072801672 436058238 /nfs/dbraw/zinc/05/82/38/436058238.db2.gz XBFREANHCAKWNC-HNNXBMFYSA-N 1 2 343.493 0.216 20 30 ECEDLO C=C(C)C[N@H+](CC)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000072801672 436058243 /nfs/dbraw/zinc/05/82/43/436058243.db2.gz XBFREANHCAKWNC-HNNXBMFYSA-N 1 2 343.493 0.216 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(CC(=O)N2CCCCC2)CC1 ZINC000073022802 436066193 /nfs/dbraw/zinc/06/61/93/436066193.db2.gz VFMBLBJLUDXHAI-MRXNPFEDSA-N 1 2 349.479 0.377 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000073022802 436066198 /nfs/dbraw/zinc/06/61/98/436066198.db2.gz VFMBLBJLUDXHAI-MRXNPFEDSA-N 1 2 349.479 0.377 20 30 ECEDLO C=CC[N@@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1cccs1 ZINC000019540476 436109046 /nfs/dbraw/zinc/10/90/46/436109046.db2.gz CTRHNVMSJISZBR-UHFFFAOYSA-N 1 2 348.428 0.599 20 30 ECEDLO C=CC[N@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1cccs1 ZINC000019540476 436109048 /nfs/dbraw/zinc/10/90/48/436109048.db2.gz CTRHNVMSJISZBR-UHFFFAOYSA-N 1 2 348.428 0.599 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(c2nn3cc(C)nc3s2)CC1 ZINC000074259646 436116484 /nfs/dbraw/zinc/11/64/84/436116484.db2.gz IGTFDMPETXKHJR-UHFFFAOYSA-N 1 2 332.433 0.361 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2nn3cc(C)nc3s2)CC1 ZINC000074259646 436116491 /nfs/dbraw/zinc/11/64/91/436116491.db2.gz IGTFDMPETXKHJR-UHFFFAOYSA-N 1 2 332.433 0.361 20 30 ECEDLO N#Cc1ccnc(N2CC[NH+](CCn3nc4ccccn4c3=O)CC2)c1 ZINC000026918556 436168642 /nfs/dbraw/zinc/16/86/42/436168642.db2.gz RDOJABXTCFUKBX-UHFFFAOYSA-N 1 2 349.398 0.585 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000028179374 436187200 /nfs/dbraw/zinc/18/72/00/436187200.db2.gz OBGAFSHJOQZNIG-INIZCTEOSA-N 1 2 342.443 0.058 20 30 ECEDLO C[C@@H]1CN(C(=O)C[NH+]2CCN(c3cc(C#N)ccn3)CC2)C[C@@H](C)O1 ZINC000029447210 436203480 /nfs/dbraw/zinc/20/34/80/436203480.db2.gz RYIOFOOOBFZJGQ-HUUCEWRRSA-N 1 2 343.431 0.711 20 30 ECEDLO CC1(C)NC(=O)N(CC[NH+]2CCN(c3ncccc3C#N)CC2)C1=O ZINC000076479437 436207846 /nfs/dbraw/zinc/20/78/46/436207846.db2.gz VIMHZOMQPSBCLZ-UHFFFAOYSA-N 1 2 342.403 0.406 20 30 ECEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1)C1CC1 ZINC000076951868 436220804 /nfs/dbraw/zinc/22/08/04/436220804.db2.gz BCNFERMAIIIDPS-IUODEOHRSA-N 1 2 342.465 0.056 20 30 ECEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1)C1CC1 ZINC000076951868 436220809 /nfs/dbraw/zinc/22/08/09/436220809.db2.gz BCNFERMAIIIDPS-IUODEOHRSA-N 1 2 342.465 0.056 20 30 ECEDLO CNC(=O)NC(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000078269182 436263590 /nfs/dbraw/zinc/26/35/90/436263590.db2.gz DFXABTRKLQWEHD-ZFWWWQNUSA-N 1 2 329.404 0.713 20 30 ECEDLO CCn1nc2c(cc1=O)C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC2 ZINC000078619197 436273171 /nfs/dbraw/zinc/27/31/71/436273171.db2.gz PMSFWEXRFHGLLW-KRWDZBQOSA-N 1 2 329.404 0.430 20 30 ECEDLO CCn1nc2c(cc1=O)C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC2 ZINC000078619197 436273174 /nfs/dbraw/zinc/27/31/74/436273174.db2.gz PMSFWEXRFHGLLW-KRWDZBQOSA-N 1 2 329.404 0.430 20 30 ECEDLO CCn1nc2c(cc1=O)C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2 ZINC000078614540 436273633 /nfs/dbraw/zinc/27/36/33/436273633.db2.gz WEKXJNBNNGBUQF-KRWDZBQOSA-N 1 2 331.420 0.676 20 30 ECEDLO CCn1nc2c(cc1=O)C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2 ZINC000078614540 436273636 /nfs/dbraw/zinc/27/36/36/436273636.db2.gz WEKXJNBNNGBUQF-KRWDZBQOSA-N 1 2 331.420 0.676 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(CCC)nc3ncnn32)CC1 ZINC000079599549 436300470 /nfs/dbraw/zinc/30/04/70/436300470.db2.gz OSWDKRPJJBMKGD-UHFFFAOYSA-N 1 2 343.435 0.501 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cc(C(=O)OC)c(C)o2)CC1 ZINC000080262009 436315754 /nfs/dbraw/zinc/31/57/54/436315754.db2.gz RGZWYGPPURJJRG-UHFFFAOYSA-N 1 2 340.401 0.704 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCO[C@H](c3ccccc3)C2)CC1 ZINC000081648407 436353506 /nfs/dbraw/zinc/35/35/06/436353506.db2.gz HYWYWOHYDDYSIR-SFHVURJKSA-N 1 2 327.428 0.837 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000083562237 436373647 /nfs/dbraw/zinc/37/36/47/436373647.db2.gz LEMAYPLDADKCBE-AWEZNQCLSA-N 1 2 336.367 0.854 20 30 ECEDLO C[C@@H]1C[N@H+](C(C)(C)CNS(=O)(=O)N(C)CCC#N)C[C@H](C)O1 ZINC000045799461 436377243 /nfs/dbraw/zinc/37/72/43/436377243.db2.gz KVLDKIARCCBKPM-BETUJISGSA-N 1 2 332.470 0.554 20 30 ECEDLO C[C@@H]1C[N@@H+](C(C)(C)CNS(=O)(=O)N(C)CCC#N)C[C@H](C)O1 ZINC000045799461 436377245 /nfs/dbraw/zinc/37/72/45/436377245.db2.gz KVLDKIARCCBKPM-BETUJISGSA-N 1 2 332.470 0.554 20 30 ECEDLO CCN(CCC#N)C(=O)CN1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000052395298 436508361 /nfs/dbraw/zinc/50/83/61/436508361.db2.gz KJIWWMXGXJRBJK-AWEZNQCLSA-N 1 2 335.452 0.033 20 30 ECEDLO N#Cc1ccc(N2CCN(C(=O)NCCn3cc[nH+]c3)CC2)nc1 ZINC000052500505 436509237 /nfs/dbraw/zinc/50/92/37/436509237.db2.gz WNSWCPAYHGCQSW-UHFFFAOYSA-N 1 2 325.376 0.682 20 30 ECEDLO N#CCNC(=O)C[NH+]1CCN(c2ccnc(-c3ccccc3)n2)CC1 ZINC000109797282 436625448 /nfs/dbraw/zinc/62/54/48/436625448.db2.gz UVGKLAUMIBJXKD-UHFFFAOYSA-N 1 2 336.399 0.905 20 30 ECEDLO C=CCNC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000057459804 436612096 /nfs/dbraw/zinc/61/20/96/436612096.db2.gz OWJIRWDXXXXHNV-UHFFFAOYSA-N 1 2 338.433 0.930 20 30 ECEDLO CC(C)N(CCCNC(=O)C[NH+]1CCC(C#N)CC1)S(C)(=O)=O ZINC000057874224 436617179 /nfs/dbraw/zinc/61/71/79/436617179.db2.gz RGSDAHXQWSNVLK-UHFFFAOYSA-N 1 2 344.481 0.398 20 30 ECEDLO CN(Cc1cccs1)C(=O)CO[NH+]=C(N)CN1CCOCC1 ZINC000111182093 436630996 /nfs/dbraw/zinc/63/09/96/436630996.db2.gz WOIQEGQHEYAPSX-UHFFFAOYSA-N 1 2 326.422 0.328 20 30 ECEDLO COC(=O)c1cccc(CN(C)C[C@@H](O)C[NH+]2CCOCC2)c1C#N ZINC000535965198 302132091 /nfs/dbraw/zinc/13/20/91/302132091.db2.gz XXWWSZKBMGGAJQ-OAHLLOKOSA-N 1 2 347.415 0.470 20 30 ECEDLO COC(=O)c1cccc(C[N@H+](C)C[C@@H](O)CN2CCOCC2)c1C#N ZINC000535965198 302132094 /nfs/dbraw/zinc/13/20/94/302132094.db2.gz XXWWSZKBMGGAJQ-OAHLLOKOSA-N 1 2 347.415 0.470 20 30 ECEDLO COC(=O)c1cccc(C[N@@H+](C)C[C@@H](O)CN2CCOCC2)c1C#N ZINC000535965198 302132097 /nfs/dbraw/zinc/13/20/97/302132097.db2.gz XXWWSZKBMGGAJQ-OAHLLOKOSA-N 1 2 347.415 0.470 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CC[C@H]3C(N)=O)CC2)cc1 ZINC000552798089 302397890 /nfs/dbraw/zinc/39/78/90/302397890.db2.gz BRKITRNYXOIINI-CVEARBPZSA-N 1 2 326.400 0.714 20 30 ECEDLO C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)CC(=O)NCC#N ZINC000066497123 436687695 /nfs/dbraw/zinc/68/76/95/436687695.db2.gz ORVQCYKJKUPUKS-UHFFFAOYSA-N 1 2 339.417 0.431 20 30 ECEDLO C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)CC(=O)NCC#N ZINC000066497123 436687699 /nfs/dbraw/zinc/68/76/99/436687699.db2.gz ORVQCYKJKUPUKS-UHFFFAOYSA-N 1 2 339.417 0.431 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000120560872 436690770 /nfs/dbraw/zinc/69/07/70/436690770.db2.gz VRNAUSONXUHJBL-JSGCOSHPSA-N 1 2 342.465 0.151 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000120560872 436690774 /nfs/dbraw/zinc/69/07/74/436690774.db2.gz VRNAUSONXUHJBL-JSGCOSHPSA-N 1 2 342.465 0.151 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000270146588 436671879 /nfs/dbraw/zinc/67/18/79/436671879.db2.gz FJFOPCHVXKLHLD-ZDUSSCGKSA-N 1 2 342.399 0.284 20 30 ECEDLO CC1(C#N)CC[NH+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000272502548 436718569 /nfs/dbraw/zinc/71/85/69/436718569.db2.gz DUMKWCCGSAIBKO-UHFFFAOYSA-N 1 2 336.417 0.898 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)CC1 ZINC000125381201 436769174 /nfs/dbraw/zinc/76/91/74/436769174.db2.gz IJANBYUFLRJUNW-OAHLLOKOSA-N 1 2 332.425 0.976 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@H](C)C[S@](C)=O)CC1 ZINC000248624738 436806011 /nfs/dbraw/zinc/80/60/11/436806011.db2.gz OTJNHEQRFZZGEL-USGALAMMSA-N 1 2 342.509 0.378 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@H](C)C[S@](C)=O)CC1 ZINC000248624738 436806013 /nfs/dbraw/zinc/80/60/13/436806013.db2.gz OTJNHEQRFZZGEL-USGALAMMSA-N 1 2 342.509 0.378 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\c2cncc(F)c2)CC1 ZINC000255758935 436853922 /nfs/dbraw/zinc/85/39/22/436853922.db2.gz ZYKSHIYXMPOBMT-PLNGDYQASA-N 1 2 344.390 0.518 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\c2cncc(F)c2)CC1 ZINC000255758935 436853926 /nfs/dbraw/zinc/85/39/26/436853926.db2.gz ZYKSHIYXMPOBMT-PLNGDYQASA-N 1 2 344.390 0.518 20 30 ECEDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000159826424 436863311 /nfs/dbraw/zinc/86/33/11/436863311.db2.gz RGEIIRALUAIONO-INIZCTEOSA-N 1 2 344.415 0.900 20 30 ECEDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000159826424 436863313 /nfs/dbraw/zinc/86/33/13/436863313.db2.gz RGEIIRALUAIONO-INIZCTEOSA-N 1 2 344.415 0.900 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN([C@@H](C(=O)OC)c2cccnc2)CC1 ZINC000160842504 436879933 /nfs/dbraw/zinc/87/99/33/436879933.db2.gz JEEDIQSENFAROM-MRXNPFEDSA-N 1 2 332.404 0.216 20 30 ECEDLO C[C@H]([C@H](C)NC(=O)C(=O)Nc1sccc1C#N)[NH+]1CCOCC1 ZINC000293504729 436883508 /nfs/dbraw/zinc/88/35/08/436883508.db2.gz VBWSXQAMLODHIY-WDEREUQCSA-N 1 2 336.417 0.784 20 30 ECEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000262133215 436908682 /nfs/dbraw/zinc/90/86/82/436908682.db2.gz YKILEQXJEZASGE-AWEZNQCLSA-N 1 2 345.428 0.935 20 30 ECEDLO C=CCN1CC[C@@H]([NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)C1=O ZINC000281426765 436969788 /nfs/dbraw/zinc/96/97/88/436969788.db2.gz SEIOFNSVUDPUOQ-GHMZBOCLSA-N 1 2 331.380 0.928 20 30 ECEDLO CCOc1ccc([C@H](C)NC(=O)CO[NH+]=C(N)CCO)cc1OC ZINC000275550328 436982324 /nfs/dbraw/zinc/98/23/24/436982324.db2.gz UYBXCNGRLUZNLF-NSHDSACASA-N 1 2 339.392 0.942 20 30 ECEDLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000294149791 436938128 /nfs/dbraw/zinc/93/81/28/436938128.db2.gz HKFLPGCLVMMOEP-OAHLLOKOSA-N 1 2 340.424 0.363 20 30 ECEDLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000294149791 436938130 /nfs/dbraw/zinc/93/81/30/436938130.db2.gz HKFLPGCLVMMOEP-OAHLLOKOSA-N 1 2 340.424 0.363 20 30 ECEDLO CC(C)[C@@H](CNS(=O)(=O)c1ccc(C#N)nc1)[NH+]1CCOCC1 ZINC000170658144 436950268 /nfs/dbraw/zinc/95/02/68/436950268.db2.gz HWYBIHPDGUNGLS-OAHLLOKOSA-N 1 2 338.433 0.588 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCCN(c3ccn(C)n3)C2=O)C1=O ZINC000281233219 436957296 /nfs/dbraw/zinc/95/72/96/436957296.db2.gz FOESEDNPANPBEE-UONOGXRCSA-N 1 2 331.420 0.634 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(c3ccn(C)n3)C2=O)C1=O ZINC000281233219 436957301 /nfs/dbraw/zinc/95/73/01/436957301.db2.gz FOESEDNPANPBEE-UONOGXRCSA-N 1 2 331.420 0.634 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NCc2ccc(C#N)cc2)C1=O ZINC000281294658 436959979 /nfs/dbraw/zinc/95/99/79/436959979.db2.gz JMCIIYIZXPSRLD-INIZCTEOSA-N 1 2 326.400 0.893 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)C1=O ZINC000281294658 436959983 /nfs/dbraw/zinc/95/99/83/436959983.db2.gz JMCIIYIZXPSRLD-INIZCTEOSA-N 1 2 326.400 0.893 20 30 ECEDLO CN(CC[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000275830884 437019324 /nfs/dbraw/zinc/01/93/24/437019324.db2.gz SAERBJXXZJKTBW-UHFFFAOYSA-N 1 2 346.387 0.318 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000282896929 437021168 /nfs/dbraw/zinc/02/11/68/437021168.db2.gz RCBZGJRYEZUKHQ-AWEZNQCLSA-N 1 2 337.449 0.535 20 30 ECEDLO C[C@@H](C(=O)N1CCN(c2cc(C#N)ccn2)CC1)[NH+]1CCN(C)CC1 ZINC000263721096 436982496 /nfs/dbraw/zinc/98/24/96/436982496.db2.gz WSRPWGMBHCFNET-HNNXBMFYSA-N 1 2 342.447 0.238 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)C1=O ZINC000281905844 437004768 /nfs/dbraw/zinc/00/47/68/437004768.db2.gz GCHUEJXAHSGVBO-INIZCTEOSA-N 1 2 328.416 0.694 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCN([C@H]3CCN(CC=C)C3=O)[C@@H](C)C2)C1=O ZINC000281912218 437005002 /nfs/dbraw/zinc/00/50/02/437005002.db2.gz GONGTOQKEQAVPD-BBWFWOEESA-N 1 2 346.475 0.566 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCN([C@H]3CCN(CC=C)C3=O)[C@@H](C)C2)C1=O ZINC000281912218 437005004 /nfs/dbraw/zinc/00/50/04/437005004.db2.gz GONGTOQKEQAVPD-BBWFWOEESA-N 1 2 346.475 0.566 20 30 ECEDLO C=CCN1CC[C@@H](N2CC[N@H+]([C@H]3CCN(CC=C)C3=O)[C@@H](C)C2)C1=O ZINC000281912218 437005008 /nfs/dbraw/zinc/00/50/08/437005008.db2.gz GONGTOQKEQAVPD-BBWFWOEESA-N 1 2 346.475 0.566 20 30 ECEDLO C=CCN1CC[C@@H](N2CC[N@@H+]([C@H]3CCN(CC=C)C3=O)[C@@H](C)C2)C1=O ZINC000281912218 437005012 /nfs/dbraw/zinc/00/50/12/437005012.db2.gz GONGTOQKEQAVPD-BBWFWOEESA-N 1 2 346.475 0.566 20 30 ECEDLO CC(C)[C@@H](CNS(=O)(=O)CCCCC#N)[NH+]1CCN(C)CC1 ZINC000173452032 437050896 /nfs/dbraw/zinc/05/08/96/437050896.db2.gz JSUZOWBRWFQWBX-OAHLLOKOSA-N 1 2 330.498 0.872 20 30 ECEDLO C[NH+]1CCN(S(=O)(=O)N2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000298396445 437037283 /nfs/dbraw/zinc/03/72/83/437037283.db2.gz FMVGZHAVHDRUIX-UHFFFAOYSA-N 1 2 349.460 0.172 20 30 ECEDLO C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(C[C@@H](O)C[N@H+](C)CCC#N)C2=O ZINC000331711658 437147853 /nfs/dbraw/zinc/14/78/53/437147853.db2.gz YRYVZLKUDOAFNG-MCIONIFRSA-N 1 2 336.436 0.939 20 30 ECEDLO C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(C[C@@H](O)C[N@@H+](C)CCC#N)C2=O ZINC000331711658 437147855 /nfs/dbraw/zinc/14/78/55/437147855.db2.gz YRYVZLKUDOAFNG-MCIONIFRSA-N 1 2 336.436 0.939 20 30 ECEDLO N#Cc1cccc([C@H]2CN(C[C@H](O)C[NH+]3CCOCC3)CCO2)c1 ZINC000331620461 437131567 /nfs/dbraw/zinc/13/15/67/437131567.db2.gz SCDZWJSHDYUTLH-QZTJIDSGSA-N 1 2 331.416 0.625 20 30 ECEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@H](O)CN3CCOCC3)CCO2)c1 ZINC000331620461 437131570 /nfs/dbraw/zinc/13/15/70/437131570.db2.gz SCDZWJSHDYUTLH-QZTJIDSGSA-N 1 2 331.416 0.625 20 30 ECEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@H](O)CN3CCOCC3)CCO2)c1 ZINC000331620461 437131573 /nfs/dbraw/zinc/13/15/73/437131573.db2.gz SCDZWJSHDYUTLH-QZTJIDSGSA-N 1 2 331.416 0.625 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000332120676 437208215 /nfs/dbraw/zinc/20/82/15/437208215.db2.gz HJWLCMBRLZZFOE-ZFWWWQNUSA-N 1 2 344.481 0.365 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000332120676 437208220 /nfs/dbraw/zinc/20/82/20/437208220.db2.gz HJWLCMBRLZZFOE-ZFWWWQNUSA-N 1 2 344.481 0.365 20 30 ECEDLO CN(C)C(=O)NCC[N@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000332360130 437216332 /nfs/dbraw/zinc/21/63/32/437216332.db2.gz JFXHMVKMFINKEO-LBPRGKRZSA-N 1 2 335.433 0.928 20 30 ECEDLO CN(C)C(=O)NCC[N@@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000332360130 437216335 /nfs/dbraw/zinc/21/63/35/437216335.db2.gz JFXHMVKMFINKEO-LBPRGKRZSA-N 1 2 335.433 0.928 20 30 ECEDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2CSC2(C)C)CCO1 ZINC000328716975 437255592 /nfs/dbraw/zinc/25/55/92/437255592.db2.gz FAWUWJXPLAMQGF-GHMZBOCLSA-N 1 2 330.454 0.962 20 30 ECEDLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2CSC2(C)C)CCO1 ZINC000328716975 437255595 /nfs/dbraw/zinc/25/55/95/437255595.db2.gz FAWUWJXPLAMQGF-GHMZBOCLSA-N 1 2 330.454 0.962 20 30 ECEDLO O=C(NC[C@@H]1COCCO1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000328803086 437264894 /nfs/dbraw/zinc/26/48/94/437264894.db2.gz BDZVDRHMQKCWKI-CQSZACIVSA-N 1 2 340.449 0.980 20 30 ECEDLO O=C(NC[C@@H]1COCCO1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000328803086 437264897 /nfs/dbraw/zinc/26/48/97/437264897.db2.gz BDZVDRHMQKCWKI-CQSZACIVSA-N 1 2 340.449 0.980 20 30 ECEDLO CCc1nn(C)c(CC)c1CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000328838820 437271123 /nfs/dbraw/zinc/27/11/23/437271123.db2.gz NNCBPJNQBQAEMX-CYBMUJFWSA-N 1 2 336.484 0.794 20 30 ECEDLO CCc1nn(C)c(CC)c1CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000328838820 437271125 /nfs/dbraw/zinc/27/11/25/437271125.db2.gz NNCBPJNQBQAEMX-CYBMUJFWSA-N 1 2 336.484 0.794 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000333562434 437276339 /nfs/dbraw/zinc/27/63/39/437276339.db2.gz OISZLQHIMYXCCI-XHSDSOJGSA-N 1 2 335.448 0.733 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCc3nnc4ccccn43)C[C@H]21 ZINC000328874051 437276357 /nfs/dbraw/zinc/27/63/57/437276357.db2.gz JIPKKWWRTJGTIG-CHWSQXEVSA-N 1 2 330.392 0.548 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCc3nnc4ccccn43)C[C@H]21 ZINC000328874051 437276360 /nfs/dbraw/zinc/27/63/60/437276360.db2.gz JIPKKWWRTJGTIG-CHWSQXEVSA-N 1 2 330.392 0.548 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCC3(N4CCOCC4)CC3)C[C@@H]21 ZINC000328895146 437281479 /nfs/dbraw/zinc/28/14/79/437281479.db2.gz VCCKXJNDAVXOQH-LSDHHAIUSA-N 1 2 338.452 0.170 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCC3(N4CCOCC4)CC3)C[C@@H]21 ZINC000328895146 437281485 /nfs/dbraw/zinc/28/14/85/437281485.db2.gz VCCKXJNDAVXOQH-LSDHHAIUSA-N 1 2 338.452 0.170 20 30 ECEDLO C[C@H](C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)n1cncn1 ZINC000328914397 437285139 /nfs/dbraw/zinc/28/51/39/437285139.db2.gz IWSBYRFAUVNNEJ-CYBMUJFWSA-N 1 2 334.424 0.740 20 30 ECEDLO CN(C(=O)C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1)C1(C#N)CCCCC1 ZINC000333866743 437290233 /nfs/dbraw/zinc/29/02/33/437290233.db2.gz OJEZRFHJMQWWCT-KBPBESRZSA-N 1 2 334.420 0.261 20 30 ECEDLO CN(C(=O)C[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1)C1(C#N)CCCCC1 ZINC000333866743 437290237 /nfs/dbraw/zinc/29/02/37/437290237.db2.gz OJEZRFHJMQWWCT-KBPBESRZSA-N 1 2 334.420 0.261 20 30 ECEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](CC(=O)NC2CCOCC2)C1 ZINC000328959149 437292051 /nfs/dbraw/zinc/29/20/51/437292051.db2.gz PXLSXOJQYITSLZ-GJZGRUSLSA-N 1 2 339.436 0.834 20 30 ECEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](CC(=O)NC2CCOCC2)C1 ZINC000328959149 437292056 /nfs/dbraw/zinc/29/20/56/437292056.db2.gz PXLSXOJQYITSLZ-GJZGRUSLSA-N 1 2 339.436 0.834 20 30 ECEDLO CS(=O)(=O)N1CC[C@H](CNC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000329313138 437351480 /nfs/dbraw/zinc/35/14/80/437351480.db2.gz DANMDUFRVLAWIE-CYBMUJFWSA-N 1 2 345.465 0.479 20 30 ECEDLO C[N@@H+]1CCN(CCNC(=O)CSc2n[nH]c(=O)[nH]2)CC1(C)C ZINC000329354150 437357153 /nfs/dbraw/zinc/35/71/53/437357153.db2.gz VGKCEJQLNNLTPC-UHFFFAOYSA-N 1 2 328.442 0.585 20 30 ECEDLO C[N@H+]1CCN(CCNC(=O)CSc2n[nH]c(=O)[nH]2)CC1(C)C ZINC000329354150 437357157 /nfs/dbraw/zinc/35/71/57/437357157.db2.gz VGKCEJQLNNLTPC-UHFFFAOYSA-N 1 2 328.442 0.585 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337384549 437358948 /nfs/dbraw/zinc/35/89/48/437358948.db2.gz DMMGEPJITLTMRD-QWHCGFSZSA-N 1 2 327.450 0.836 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337384549 437358951 /nfs/dbraw/zinc/35/89/51/437358951.db2.gz DMMGEPJITLTMRD-QWHCGFSZSA-N 1 2 327.450 0.836 20 30 ECEDLO COc1ccccc1[C@@H]1CN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC[NH2+]1 ZINC000337611179 437368571 /nfs/dbraw/zinc/36/85/71/437368571.db2.gz YONKLVUPYRGNJL-OCCSQVGLSA-N 1 2 340.387 0.892 20 30 ECEDLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000268122536 437370916 /nfs/dbraw/zinc/37/09/16/437370916.db2.gz AMHDKPMIYMAXNF-NSHDSACASA-N 1 2 344.387 0.361 20 30 ECEDLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000268122536 437370920 /nfs/dbraw/zinc/37/09/20/437370920.db2.gz AMHDKPMIYMAXNF-NSHDSACASA-N 1 2 344.387 0.361 20 30 ECEDLO Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000329456217 437372089 /nfs/dbraw/zinc/37/20/89/437372089.db2.gz MWDOQPUPLPYPND-LCGIIJARSA-N 1 2 349.435 0.427 20 30 ECEDLO Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000329456217 437372093 /nfs/dbraw/zinc/37/20/93/437372093.db2.gz MWDOQPUPLPYPND-LCGIIJARSA-N 1 2 349.435 0.427 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000337063649 437325496 /nfs/dbraw/zinc/32/54/96/437325496.db2.gz ITQMKZQASGXGIL-OAHLLOKOSA-N 1 2 346.497 0.755 20 30 ECEDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N[C@@H]1CCCOC1 ZINC000329164898 437327678 /nfs/dbraw/zinc/32/76/78/437327678.db2.gz HAWDOYIKIVKFNY-UKRRQHHQSA-N 1 2 329.466 0.877 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccccc1OCC#N ZINC000267625445 437329056 /nfs/dbraw/zinc/32/90/56/437329056.db2.gz DZRQIVZITNAGDB-CQSZACIVSA-N 1 2 333.388 0.354 20 30 ECEDLO Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000329202217 437333872 /nfs/dbraw/zinc/33/38/72/437333872.db2.gz CESMNVBBANAMFC-YJNKXOJESA-N 1 2 349.435 0.569 20 30 ECEDLO Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000329202217 437333875 /nfs/dbraw/zinc/33/38/75/437333875.db2.gz CESMNVBBANAMFC-YJNKXOJESA-N 1 2 349.435 0.569 20 30 ECEDLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000337145724 437334145 /nfs/dbraw/zinc/33/41/45/437334145.db2.gz FADPKLABDQXTKQ-ZDUSSCGKSA-N 1 2 339.421 0.120 20 30 ECEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@@H]1CCCS(=O)(=O)C1 ZINC000329725334 437406043 /nfs/dbraw/zinc/40/60/43/437406043.db2.gz BVEHVWDRLGVUHF-CYBMUJFWSA-N 1 2 340.449 0.843 20 30 ECEDLO COc1ccc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)nn1 ZINC000338371563 437407578 /nfs/dbraw/zinc/40/75/78/437407578.db2.gz ICROJQLZYRMDLD-UHFFFAOYSA-N 1 2 327.392 0.721 20 30 ECEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCC[C@H]1CNS(C)(=O)=O)C1CC1 ZINC000338387443 437408079 /nfs/dbraw/zinc/40/80/79/437408079.db2.gz RANUORAQFNAYFI-DZGCQCFKSA-N 1 2 342.465 0.199 20 30 ECEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCC[C@H]1CNS(C)(=O)=O)C1CC1 ZINC000338387443 437408084 /nfs/dbraw/zinc/40/80/84/437408084.db2.gz RANUORAQFNAYFI-DZGCQCFKSA-N 1 2 342.465 0.199 20 30 ECEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCc1ccc(N)[nH+]c1 ZINC000338424578 437409612 /nfs/dbraw/zinc/40/96/12/437409612.db2.gz LKBKPNZYZZGEOZ-UHFFFAOYSA-N 1 2 348.370 1.168 20 30 ECEDLO O=S1(=O)CCC[C@H]([NH+]=C([O-])N2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000329780047 437412182 /nfs/dbraw/zinc/41/21/82/437412182.db2.gz MJPGESHRQWGKHA-STQMWFEESA-N 1 2 326.422 0.839 20 30 ECEDLO O=C(N[C@H]1CCCS(=O)(=O)C1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000329780047 437412188 /nfs/dbraw/zinc/41/21/88/437412188.db2.gz MJPGESHRQWGKHA-STQMWFEESA-N 1 2 326.422 0.839 20 30 ECEDLO C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1=O ZINC000338749490 437417475 /nfs/dbraw/zinc/41/74/75/437417475.db2.gz KELHOGGHOROJLR-UHFFFAOYSA-N 1 2 345.359 0.093 20 30 ECEDLO Cc1cccc(NC(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)c1C#N ZINC000279505904 437419208 /nfs/dbraw/zinc/41/92/08/437419208.db2.gz PVXSQEFRGFSOPJ-AWEZNQCLSA-N 1 2 344.415 0.984 20 30 ECEDLO C[C@H](C[NH+]=C([O-])N[C@H]1CCc2c[nH]nc2C1)C[NH+]1CCN(C)CC1 ZINC000329834863 437419771 /nfs/dbraw/zinc/41/97/71/437419771.db2.gz LVUHVAQNFAQHLC-HIFRSBDPSA-N 1 2 334.468 0.654 20 30 ECEDLO C[C@H](CNC(=O)N[C@H]1CCc2c[nH]nc2C1)C[NH+]1CCN(C)CC1 ZINC000329834863 437419775 /nfs/dbraw/zinc/41/97/75/437419775.db2.gz LVUHVAQNFAQHLC-HIFRSBDPSA-N 1 2 334.468 0.654 20 30 ECEDLO Cc1cc(=O)[nH]cc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329865719 437423135 /nfs/dbraw/zinc/42/31/35/437423135.db2.gz ANKDPRKVKHXDLW-ZDUSSCGKSA-N 1 2 348.403 0.333 20 30 ECEDLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCC(=O)CC1 ZINC000329882989 437424865 /nfs/dbraw/zinc/42/48/65/437424865.db2.gz QNRNIDBOGJDRKH-CQSZACIVSA-N 1 2 337.420 0.635 20 30 ECEDLO C=CCn1c(C2CC2)nnc1N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000337902324 437382110 /nfs/dbraw/zinc/38/21/10/437382110.db2.gz KBSQAOIJOFAZSI-UHFFFAOYSA-N 1 2 330.436 0.742 20 30 ECEDLO CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)CC2(CC#N)CC2)CC1 ZINC000329565409 437383489 /nfs/dbraw/zinc/38/34/89/437383489.db2.gz HGBDCVJQSWVGAS-UHFFFAOYSA-N 1 2 342.465 0.994 20 30 ECEDLO CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)CC2(CC#N)CC2)CC1 ZINC000329565409 437383490 /nfs/dbraw/zinc/38/34/90/437383490.db2.gz HGBDCVJQSWVGAS-UHFFFAOYSA-N 1 2 342.465 0.994 20 30 ECEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@@H](C)S1(=O)=O ZINC000329597990 437389774 /nfs/dbraw/zinc/38/97/74/437389774.db2.gz JEHGPGVKQUDYAI-GMTAPVOTSA-N 1 2 326.422 0.688 20 30 ECEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@@H](C)S1(=O)=O ZINC000329597990 437389778 /nfs/dbraw/zinc/38/97/78/437389778.db2.gz JEHGPGVKQUDYAI-GMTAPVOTSA-N 1 2 326.422 0.688 20 30 ECEDLO C[C@H](NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)C(=O)N1CCCC[C@@H]1C ZINC000329602912 437390108 /nfs/dbraw/zinc/39/01/08/437390108.db2.gz LCKWFKQPZAUOLR-ZQDZILKHSA-N 1 2 338.452 0.705 20 30 ECEDLO C[C@H](NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)C(=O)N1CCCC[C@@H]1C ZINC000329602912 437390112 /nfs/dbraw/zinc/39/01/12/437390112.db2.gz LCKWFKQPZAUOLR-ZQDZILKHSA-N 1 2 338.452 0.705 20 30 ECEDLO N#C[C@H]1C[N@@H+](CCCS(N)(=O)=O)C[C@]12c1ccccc1NC2=O ZINC000338248108 437400857 /nfs/dbraw/zinc/40/08/57/437400857.db2.gz CJYXYIDXXHHKOI-XHDPSFHLSA-N 1 2 334.401 0.010 20 30 ECEDLO N#C[C@H]1C[N@H+](CCCS(N)(=O)=O)C[C@]12c1ccccc1NC2=O ZINC000338248108 437400864 /nfs/dbraw/zinc/40/08/64/437400864.db2.gz CJYXYIDXXHHKOI-XHDPSFHLSA-N 1 2 334.401 0.010 20 30 ECEDLO O=S1(=O)CCC[C@@H]1C[NH+]=C([O-])NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329958658 437437368 /nfs/dbraw/zinc/43/73/68/437437368.db2.gz QEFSNXHFNWJWOP-NWDGAFQWSA-N 1 2 326.422 0.526 20 30 ECEDLO O=S1(=O)CCC[C@@H]1CNC([O-])=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329958658 437437371 /nfs/dbraw/zinc/43/73/71/437437371.db2.gz QEFSNXHFNWJWOP-NWDGAFQWSA-N 1 2 326.422 0.526 20 30 ECEDLO O=C(NC[C@H]1CCCS1(=O)=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329958658 437437374 /nfs/dbraw/zinc/43/73/74/437437374.db2.gz QEFSNXHFNWJWOP-NWDGAFQWSA-N 1 2 326.422 0.526 20 30 ECEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCC2(C)COC2)cn1 ZINC000329972760 437440224 /nfs/dbraw/zinc/44/02/24/437440224.db2.gz ZEUAZNATZLXRIB-KBPBESRZSA-N 1 2 339.415 0.873 20 30 ECEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCC2(C)COC2)cn1 ZINC000329972760 437440228 /nfs/dbraw/zinc/44/02/28/437440228.db2.gz ZEUAZNATZLXRIB-KBPBESRZSA-N 1 2 339.415 0.873 20 30 ECEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)CN2CCCC2=O)cn1 ZINC000329978038 437441223 /nfs/dbraw/zinc/44/12/23/437441223.db2.gz GUYRTPMELAROJR-KBPBESRZSA-N 1 2 337.399 0.911 20 30 ECEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)CN2CCCC2=O)cn1 ZINC000329978038 437441226 /nfs/dbraw/zinc/44/12/26/437441226.db2.gz GUYRTPMELAROJR-KBPBESRZSA-N 1 2 337.399 0.911 20 30 ECEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 ZINC000330001686 437444326 /nfs/dbraw/zinc/44/43/26/437444326.db2.gz YEVNRLMFMAOYAM-YPMHNXCESA-N 1 2 337.424 0.595 20 30 ECEDLO Cn1cnc2c(c1=O)CCN(C(=O)NCC(C)(C)[NH+]1CCOCC1)C2 ZINC000330077584 437452063 /nfs/dbraw/zinc/45/20/63/437452063.db2.gz FHBRCMAZLGFZHX-UHFFFAOYSA-N 1 2 349.435 0.163 20 30 ECEDLO Cn1cc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)nn1 ZINC000330141770 437460345 /nfs/dbraw/zinc/46/03/45/437460345.db2.gz XVEPLXFPIAMHDG-LBPRGKRZSA-N 1 2 336.396 0.116 20 30 ECEDLO CC[C@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CCOCC1 ZINC000330201451 437468133 /nfs/dbraw/zinc/46/81/33/437468133.db2.gz XUQZQNNLVPUKAL-OLZOCXBDSA-N 1 2 335.408 0.339 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000330372078 437493215 /nfs/dbraw/zinc/49/32/15/437493215.db2.gz ACPIYXHCGOSWGP-ZDUSSCGKSA-N 1 2 332.470 0.413 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NCC[N@H+]1CCOCC1(C)C ZINC000330372078 437493219 /nfs/dbraw/zinc/49/32/19/437493219.db2.gz ACPIYXHCGOSWGP-ZDUSSCGKSA-N 1 2 332.470 0.413 20 30 ECEDLO CC(C)[C@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)[NH+]1CCOCC1 ZINC000330379912 437494831 /nfs/dbraw/zinc/49/48/31/437494831.db2.gz UCDUPHSXIVJJGY-KBPBESRZSA-N 1 2 332.470 0.269 20 30 ECEDLO CCS(=O)(=O)NC1CCN(C([O-])=[NH+][C@H](C)Cn2cc[nH+]c2)CC1 ZINC000330387693 437496725 /nfs/dbraw/zinc/49/67/25/437496725.db2.gz CDORCIAFWVZOES-GFCCVEGCSA-N 1 2 343.453 0.589 20 30 ECEDLO CCS(=O)(=O)NC1CCN(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000330387693 437496730 /nfs/dbraw/zinc/49/67/30/437496730.db2.gz CDORCIAFWVZOES-GFCCVEGCSA-N 1 2 343.453 0.589 20 30 ECEDLO N#C[C@H]1CCC[C@H]1NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000360050192 437510117 /nfs/dbraw/zinc/51/01/17/437510117.db2.gz JSGGGQLDOXLFGZ-HUUCEWRRSA-N 1 2 343.435 0.590 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000291441012 437591479 /nfs/dbraw/zinc/59/14/79/437591479.db2.gz ZGDIBYVWZSHEDR-LBPRGKRZSA-N 1 2 348.378 0.815 20 30 ECEDLO C[C@H](NC(=O)N1CCC[C@H](CNC(N)=O)C1)[C@H](C)[NH+]1CCOCC1 ZINC000330630600 437573034 /nfs/dbraw/zinc/57/30/34/437573034.db2.gz DDNLTQFQMPLKHS-MELADBBJSA-N 1 2 341.456 0.804 20 30 ECEDLO Cc1onc(CC(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)c1C#N ZINC000354577376 437639582 /nfs/dbraw/zinc/63/95/82/437639582.db2.gz SEYSQZDPNGDDAP-AWEZNQCLSA-N 1 2 348.403 0.347 20 30 ECEDLO C[C@H]1CN(C(=O)C[NH+]2CCN(c3cccc(C#N)n3)CC2)C[C@H](C)O1 ZINC000355099507 437671114 /nfs/dbraw/zinc/67/11/14/437671114.db2.gz NJNMFGDZYBTYRJ-GJZGRUSLSA-N 1 2 343.431 0.711 20 30 ECEDLO COC[C@@H]1C[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C[C@@H](C)O1 ZINC000331259216 437727311 /nfs/dbraw/zinc/72/73/11/437727311.db2.gz HQCLPVBNNIUYCX-BDAKNGLRSA-N 1 2 327.303 0.315 20 30 ECEDLO COC[C@@H]1C[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C[C@@H](C)O1 ZINC000331259216 437727316 /nfs/dbraw/zinc/72/73/16/437727316.db2.gz HQCLPVBNNIUYCX-BDAKNGLRSA-N 1 2 327.303 0.315 20 30 ECEDLO N#CCNC(=O)CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000344165855 437741695 /nfs/dbraw/zinc/74/16/95/437741695.db2.gz CBNJQECLCFSARW-HNNXBMFYSA-N 1 2 332.429 0.532 20 30 ECEDLO CC(C)Cn1c(N)c(C(=O)C[NH2+][C@@H]2CCC[C@@H]2C#N)c(=O)n(C)c1=O ZINC000331353082 437743843 /nfs/dbraw/zinc/74/38/43/437743843.db2.gz OVSYHDKWNMVVRE-VXGBXAGGSA-N 1 2 347.419 0.250 20 30 ECEDLO Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1CNC(=O)c1cnn(C)c1C#N ZINC000356090300 437746690 /nfs/dbraw/zinc/74/66/90/437746690.db2.gz MDLVPEINULVXTN-NEPJUHHUSA-N 1 2 345.382 0.368 20 30 ECEDLO CC(=O)N1CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)[C@H](C)C1 ZINC000340871174 437752250 /nfs/dbraw/zinc/75/22/50/437752250.db2.gz MNGKZWFQDRSNOI-WBVHZDCISA-N 1 2 349.479 0.231 20 30 ECEDLO CC(=O)N1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)[C@H](C)C1 ZINC000340871174 437752252 /nfs/dbraw/zinc/75/22/52/437752252.db2.gz MNGKZWFQDRSNOI-WBVHZDCISA-N 1 2 349.479 0.231 20 30 ECEDLO N#Cc1ccncc1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000345137033 437781239 /nfs/dbraw/zinc/78/12/39/437781239.db2.gz CHCCHQYTVJUDKT-INIZCTEOSA-N 1 2 332.429 0.891 20 30 ECEDLO C#CCOc1ccccc1NC(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000364329155 437814035 /nfs/dbraw/zinc/81/40/35/437814035.db2.gz QJOCBEYLMQLOMD-UHFFFAOYSA-N 1 2 344.415 0.984 20 30 ECEDLO C#CCOc1ccccc1NC(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000364329155 437814040 /nfs/dbraw/zinc/81/40/40/437814040.db2.gz QJOCBEYLMQLOMD-UHFFFAOYSA-N 1 2 344.415 0.984 20 30 ECEDLO C=CCNC(=O)CN1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000365161396 437867378 /nfs/dbraw/zinc/86/73/78/437867378.db2.gz FBRREBAVSOHXDL-MRXNPFEDSA-N 1 2 327.388 0.418 20 30 ECEDLO C=CCNC(=O)CN1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000365161395 437868095 /nfs/dbraw/zinc/86/80/95/437868095.db2.gz FBRREBAVSOHXDL-INIZCTEOSA-N 1 2 327.388 0.418 20 30 ECEDLO C=C[C@H](CO)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000356841925 437844598 /nfs/dbraw/zinc/84/45/98/437844598.db2.gz VQNKPIGYTVDIIM-CQSZACIVSA-N 1 2 332.404 0.174 20 30 ECEDLO CCN(CC#N)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000365306427 437891771 /nfs/dbraw/zinc/89/17/71/437891771.db2.gz MGUPLKLAJLTBAK-KRWDZBQOSA-N 1 2 330.432 0.849 20 30 ECEDLO CCN(CC#N)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000365306427 437891776 /nfs/dbraw/zinc/89/17/76/437891776.db2.gz MGUPLKLAJLTBAK-KRWDZBQOSA-N 1 2 330.432 0.849 20 30 ECEDLO CCOC(=O)C1(O)CC[NH+](CC(=O)N(CC)C[C@H](C)C#N)CC1 ZINC000347499103 437899305 /nfs/dbraw/zinc/89/93/05/437899305.db2.gz GOTXHRHBDIWVCI-CYBMUJFWSA-N 1 2 325.409 0.385 20 30 ECEDLO C=CCOc1ccc(CC(=O)N[C@@H](CO)C[NH+]2CCOCC2)cc1 ZINC000425294027 438021862 /nfs/dbraw/zinc/02/18/62/438021862.db2.gz MBBQDSWEPBZUAE-MRXNPFEDSA-N 1 2 334.416 0.603 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000348284170 438042868 /nfs/dbraw/zinc/04/28/68/438042868.db2.gz SRQNYOPJMOBBTR-UHFFFAOYSA-N 1 2 343.431 0.056 20 30 ECEDLO C=CCn1c(-c2ncccn2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000417457493 438051053 /nfs/dbraw/zinc/05/10/53/438051053.db2.gz IJLBGPBHEKHAPS-UHFFFAOYSA-N 1 2 329.408 0.690 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000348657092 438081939 /nfs/dbraw/zinc/08/19/39/438081939.db2.gz BOBDQDRYRGFGFQ-NEPJUHHUSA-N 1 2 331.438 0.286 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000348657092 438081942 /nfs/dbraw/zinc/08/19/42/438081942.db2.gz BOBDQDRYRGFGFQ-NEPJUHHUSA-N 1 2 331.438 0.286 20 30 ECEDLO C#CCNC(=O)C1CCN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000366563682 438095261 /nfs/dbraw/zinc/09/52/61/438095261.db2.gz DYQDTMJIPPODCB-MRXNPFEDSA-N 1 2 348.447 0.021 20 30 ECEDLO C#CCNC(=O)C1CCN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000366563682 438095264 /nfs/dbraw/zinc/09/52/64/438095264.db2.gz DYQDTMJIPPODCB-MRXNPFEDSA-N 1 2 348.447 0.021 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000348405389 438058134 /nfs/dbraw/zinc/05/81/34/438058134.db2.gz JKTOAUUDRFOBOP-STQMWFEESA-N 1 2 334.424 0.489 20 30 ECEDLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)NCC2(CC#N)CC2)CC1 ZINC000366774370 438123408 /nfs/dbraw/zinc/12/34/08/438123408.db2.gz WPAWFRKJTYEEAK-UHFFFAOYSA-N 1 2 335.452 0.922 20 30 ECEDLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)NCC2(CC#N)CC2)CC1 ZINC000366774370 438123414 /nfs/dbraw/zinc/12/34/14/438123414.db2.gz WPAWFRKJTYEEAK-UHFFFAOYSA-N 1 2 335.452 0.922 20 30 ECEDLO C#CCN(CC#N)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000366868671 438140355 /nfs/dbraw/zinc/14/03/55/438140355.db2.gz ZKQXYIWQOQJQIX-GOSISDBHSA-N 1 2 340.427 0.462 20 30 ECEDLO C#CCN(CC#N)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000366868671 438140358 /nfs/dbraw/zinc/14/03/58/438140358.db2.gz ZKQXYIWQOQJQIX-GOSISDBHSA-N 1 2 340.427 0.462 20 30 ECEDLO C=CCN1CC[C@H](N(C)C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1=O ZINC000374051498 438184924 /nfs/dbraw/zinc/18/49/24/438184924.db2.gz NYKWKAUPXATGIB-HOTGVXAUSA-N 1 2 335.448 0.875 20 30 ECEDLO C=CCN1CC[C@H](N(C)C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1=O ZINC000374051498 438184933 /nfs/dbraw/zinc/18/49/33/438184933.db2.gz NYKWKAUPXATGIB-HOTGVXAUSA-N 1 2 335.448 0.875 20 30 ECEDLO C=CCN1CC[C@@H](N(C)C(=O)C2([NH+]3CCOCC3)CCCC2)C1=O ZINC000374165397 438192496 /nfs/dbraw/zinc/19/24/96/438192496.db2.gz YNJFQIKCIVKOLJ-OAHLLOKOSA-N 1 2 335.448 0.877 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(c3cc(C)nn3C)C2=O)C1=O ZINC000374178428 438194835 /nfs/dbraw/zinc/19/48/35/438194835.db2.gz YZFKANGOPPFVOU-KGLIPLIRSA-N 1 2 331.420 0.553 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(c3cc(C)nn3C)C2=O)C1=O ZINC000374178428 438194839 /nfs/dbraw/zinc/19/48/39/438194839.db2.gz YZFKANGOPPFVOU-KGLIPLIRSA-N 1 2 331.420 0.553 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000374534138 438216699 /nfs/dbraw/zinc/21/66/99/438216699.db2.gz KYQUFJYPHARDKN-DLBZAZTESA-N 1 2 348.491 0.862 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000374534138 438216704 /nfs/dbraw/zinc/21/67/04/438216704.db2.gz KYQUFJYPHARDKN-DLBZAZTESA-N 1 2 348.491 0.862 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000433079249 438222275 /nfs/dbraw/zinc/22/22/75/438222275.db2.gz YUSHYTAHFJCQOC-QWHCGFSZSA-N 1 2 327.450 0.694 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000433079249 438222282 /nfs/dbraw/zinc/22/22/82/438222282.db2.gz YUSHYTAHFJCQOC-QWHCGFSZSA-N 1 2 327.450 0.694 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000375697486 438260709 /nfs/dbraw/zinc/26/07/09/438260709.db2.gz NLVBRCUBJPDLPM-KGLIPLIRSA-N 1 2 330.454 0.119 20 30 ECEDLO CCc1nc(C[NH+]2C[C@H]3CN(c4cnc(C#N)cn4)C[C@@H]3C2)no1 ZINC000375972632 438269375 /nfs/dbraw/zinc/26/93/75/438269375.db2.gz DNLXVNREJVJCTK-RYUDHWBXSA-N 1 2 325.376 0.862 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376594104 438286967 /nfs/dbraw/zinc/28/69/67/438286967.db2.gz CGFJSLPBYCAPFL-UHFFFAOYSA-N 1 2 327.388 0.951 20 30 ECEDLO CCOC(=O)COCC[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000351710934 438324439 /nfs/dbraw/zinc/32/44/39/438324439.db2.gz WQWHWXLUFFSQHY-ACJLOTCBSA-N 1 2 343.383 0.912 20 30 ECEDLO CCOC(=O)COCC[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000351710934 438324444 /nfs/dbraw/zinc/32/44/44/438324444.db2.gz WQWHWXLUFFSQHY-ACJLOTCBSA-N 1 2 343.383 0.912 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000377855337 438329297 /nfs/dbraw/zinc/32/92/97/438329297.db2.gz JWCVBWPWDYRNDO-BFHYXJOUSA-N 1 2 330.454 0.118 20 30 ECEDLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(/C=N/OC)cc2)CC1 ZINC000368828584 438385522 /nfs/dbraw/zinc/38/55/22/438385522.db2.gz GJRPCCHRSTWNBK-XDHOZWIPSA-N 1 2 332.404 0.561 20 30 ECEDLO CNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(/C=N/OC)cc2)CC1 ZINC000368828584 438385526 /nfs/dbraw/zinc/38/55/26/438385526.db2.gz GJRPCCHRSTWNBK-XDHOZWIPSA-N 1 2 332.404 0.561 20 30 ECEDLO CNC(=O)C[N@@H+]1CCCN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000368831662 438386116 /nfs/dbraw/zinc/38/61/16/438386116.db2.gz XOVRFGXMYDCULV-CQSZACIVSA-N 1 2 343.431 0.639 20 30 ECEDLO CNC(=O)C[N@H+]1CCCN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000368831662 438386118 /nfs/dbraw/zinc/38/61/18/438386118.db2.gz XOVRFGXMYDCULV-CQSZACIVSA-N 1 2 343.431 0.639 20 30 ECEDLO CNC(=O)CN1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000368831662 438386121 /nfs/dbraw/zinc/38/61/21/438386121.db2.gz XOVRFGXMYDCULV-CQSZACIVSA-N 1 2 343.431 0.639 20 30 ECEDLO CNC(=O)CN1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000368831662 438386125 /nfs/dbraw/zinc/38/61/25/438386125.db2.gz XOVRFGXMYDCULV-CQSZACIVSA-N 1 2 343.431 0.639 20 30 ECEDLO COc1cc[nH+]cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000369218594 438439544 /nfs/dbraw/zinc/43/95/44/438439544.db2.gz JSAWTCVUZQSWEV-GFCCVEGCSA-N 1 2 329.360 0.227 20 30 ECEDLO C=C(C)C[N@H+](CC(=O)N1CCC[C@@H](C(N)=O)C1)Cc1ccc(CO)o1 ZINC000352813307 438478391 /nfs/dbraw/zinc/47/83/91/438478391.db2.gz AZYQRTYEDYCZNI-CQSZACIVSA-N 1 2 349.431 0.874 20 30 ECEDLO C=C(C)C[N@@H+](CC(=O)N1CCC[C@@H](C(N)=O)C1)Cc1ccc(CO)o1 ZINC000352813307 438478395 /nfs/dbraw/zinc/47/83/95/438478395.db2.gz AZYQRTYEDYCZNI-CQSZACIVSA-N 1 2 349.431 0.874 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cc(OC)ncn2)CC1 ZINC000359573249 438460712 /nfs/dbraw/zinc/46/07/12/438460712.db2.gz UVZMIDLOCOKZAH-GFCCVEGCSA-N 1 2 348.407 0.008 20 30 ECEDLO CO[C@@]1(CO)CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000401820385 438461820 /nfs/dbraw/zinc/46/18/20/438461820.db2.gz ZZBBZTSFGWQNBZ-INIZCTEOSA-N 1 2 338.429 0.805 20 30 ECEDLO CO[C@@]1(CO)CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000401820385 438461823 /nfs/dbraw/zinc/46/18/23/438461823.db2.gz ZZBBZTSFGWQNBZ-INIZCTEOSA-N 1 2 338.429 0.805 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@H](C)OC[C@H]3C)CC2)o1 ZINC000408170107 438528251 /nfs/dbraw/zinc/52/82/51/438528251.db2.gz SCIVMSGKFQCUAR-OLZOCXBDSA-N 1 2 347.419 0.613 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@H](C)OC[C@H]3C)CC2)o1 ZINC000408170107 438528252 /nfs/dbraw/zinc/52/82/52/438528252.db2.gz SCIVMSGKFQCUAR-OLZOCXBDSA-N 1 2 347.419 0.613 20 30 ECEDLO COC(=O)C(C)(C)N1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000494389039 438690691 /nfs/dbraw/zinc/69/06/91/438690691.db2.gz BIWQWAVFISDQAV-UHFFFAOYSA-N 1 2 349.435 0.212 20 30 ECEDLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000453722424 438691644 /nfs/dbraw/zinc/69/16/44/438691644.db2.gz TZRHLIPQXSMINY-ZDUSSCGKSA-N 1 2 330.388 0.216 20 30 ECEDLO C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)C[C@@H](Cc2ccccc2)C1=O ZINC000414128803 438699327 /nfs/dbraw/zinc/69/93/27/438699327.db2.gz SYBAQDQQBVEDCT-HZPDHXFCSA-N 1 2 329.400 0.811 20 30 ECEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)C[C@@H](Cc2ccccc2)C1=O ZINC000414128803 438699331 /nfs/dbraw/zinc/69/93/31/438699331.db2.gz SYBAQDQQBVEDCT-HZPDHXFCSA-N 1 2 329.400 0.811 20 30 ECEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(NS(C)(=O)=O)cc1 ZINC000575797344 438755465 /nfs/dbraw/zinc/75/54/65/438755465.db2.gz UJRMGPBSDOVBLE-AWEZNQCLSA-N 1 2 326.422 0.676 20 30 ECEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(NS(C)(=O)=O)cc1 ZINC000575797344 438755467 /nfs/dbraw/zinc/75/54/67/438755467.db2.gz UJRMGPBSDOVBLE-AWEZNQCLSA-N 1 2 326.422 0.676 20 30 ECEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(NS(C)(=O)=O)cc1 ZINC000575797348 438754984 /nfs/dbraw/zinc/75/49/84/438754984.db2.gz UJRMGPBSDOVBLE-CQSZACIVSA-N 1 2 326.422 0.676 20 30 ECEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(NS(C)(=O)=O)cc1 ZINC000575797348 438754988 /nfs/dbraw/zinc/75/49/88/438754988.db2.gz UJRMGPBSDOVBLE-CQSZACIVSA-N 1 2 326.422 0.676 20 30 ECEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000494735127 438707205 /nfs/dbraw/zinc/70/72/05/438707205.db2.gz JODMPDQEBQTZHV-ZIAGYGMSSA-N 1 2 336.417 0.098 20 30 ECEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000494735127 438707208 /nfs/dbraw/zinc/70/72/08/438707208.db2.gz JODMPDQEBQTZHV-ZIAGYGMSSA-N 1 2 336.417 0.098 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000576747589 438796757 /nfs/dbraw/zinc/79/67/57/438796757.db2.gz DCBWSIGSIBQTKY-HOTGVXAUSA-N 1 2 333.436 0.838 20 30 ECEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CNc1ccc(C#N)cn1 ZINC000557582654 438803048 /nfs/dbraw/zinc/80/30/48/438803048.db2.gz UCHQWVLAGWPCJG-UKRRQHHQSA-N 1 2 329.404 0.687 20 30 ECEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2c(F)cccc2C#N)CC1 ZINC000505278636 438803652 /nfs/dbraw/zinc/80/36/52/438803652.db2.gz YXQCZCQYKUBOHR-UHFFFAOYSA-N 1 2 346.406 0.910 20 30 ECEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2c(F)cccc2C#N)CC1 ZINC000505278636 438803657 /nfs/dbraw/zinc/80/36/57/438803657.db2.gz YXQCZCQYKUBOHR-UHFFFAOYSA-N 1 2 346.406 0.910 20 30 ECEDLO C[C@@H](O)[C@@H]1CCN(c2cc(N3CCN(CCC#N)CC3)nc[nH+]2)C1 ZINC000601262328 438837882 /nfs/dbraw/zinc/83/78/82/438837882.db2.gz ZWXOQDVNVRYUSF-HUUCEWRRSA-N 1 2 330.436 0.719 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000562677489 438854603 /nfs/dbraw/zinc/85/46/03/438854603.db2.gz YBSDEGVDIDTOHE-CABCVRRESA-N 1 2 333.436 0.981 20 30 ECEDLO N#Cc1cccc(CNC(=O)CN2CCC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000578079722 438895337 /nfs/dbraw/zinc/89/53/37/438895337.db2.gz BGTGNNITJQJCLQ-GOSISDBHSA-N 1 2 342.443 0.971 20 30 ECEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000601455821 438902633 /nfs/dbraw/zinc/90/26/33/438902633.db2.gz RUIQHHHGAPALTB-CQSZACIVSA-N 1 2 339.392 0.445 20 30 ECEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000601455821 438902639 /nfs/dbraw/zinc/90/26/39/438902639.db2.gz RUIQHHHGAPALTB-CQSZACIVSA-N 1 2 339.392 0.445 20 30 ECEDLO C=CCn1cc(CNC(=O)N2CC[C@H]([NH+]3CCN(CC)CC3)C2)nn1 ZINC000563806909 438868255 /nfs/dbraw/zinc/86/82/55/438868255.db2.gz ILLQWELWXODAKV-INIZCTEOSA-N 1 2 347.467 0.386 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2ccnc(C(=O)OCC)n2)CC1 ZINC000596062923 438920019 /nfs/dbraw/zinc/92/00/19/438920019.db2.gz NNPKATUYTVOWPP-UHFFFAOYSA-N 1 2 333.392 0.078 20 30 ECEDLO C=C(C)CCNC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000458994369 438935555 /nfs/dbraw/zinc/93/55/55/438935555.db2.gz FTADWJXDVVNYIY-OAHLLOKOSA-N 1 2 338.452 0.527 20 30 ECEDLO N#Cc1cc(S(=O)(=O)N2CC(C[NH+]3CCOCC3)C2)ccc1F ZINC000590589775 438937393 /nfs/dbraw/zinc/93/73/93/438937393.db2.gz ZVCDSFUNJXQIKD-UHFFFAOYSA-N 1 2 339.392 0.650 20 30 ECEDLO CC(C)(CC#N)CNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000459227824 438951801 /nfs/dbraw/zinc/95/18/01/438951801.db2.gz GDODIJUTJFVDAB-UHFFFAOYSA-N 1 2 335.452 0.876 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1cccc(C#N)n1 ZINC000566204253 439024289 /nfs/dbraw/zinc/02/42/89/439024289.db2.gz OOFBUIQXHSAZSI-LBPRGKRZSA-N 1 2 331.376 0.071 20 30 ECEDLO N#CCCN1CCN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC1 ZINC000602205712 439039115 /nfs/dbraw/zinc/03/91/15/439039115.db2.gz GWBOQOKGUIRGKY-UHFFFAOYSA-N 1 2 343.431 0.585 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000566306377 439040405 /nfs/dbraw/zinc/04/04/05/439040405.db2.gz NQNINXACIZEBLI-GOSISDBHSA-N 1 2 339.399 0.916 20 30 ECEDLO C[C@H](C(=O)N1CCc2c(CC#N)cccc2C1)N1CC[NH2+]CC1=O ZINC000602573392 439112352 /nfs/dbraw/zinc/11/23/52/439112352.db2.gz IDLHSDKCYRRBEJ-CYBMUJFWSA-N 1 2 326.400 0.458 20 30 ECEDLO COc1ccc2ncc(C#N)c(NCCC[N@@H+]3CCNC(=O)C3)c2c1 ZINC000591925098 439116040 /nfs/dbraw/zinc/11/60/40/439116040.db2.gz QAAIHYANEAPLOS-UHFFFAOYSA-N 1 2 339.399 0.771 20 30 ECEDLO COc1ccc2ncc(C#N)c(NCCC[N@H+]3CCNC(=O)C3)c2c1 ZINC000591925098 439116043 /nfs/dbraw/zinc/11/60/43/439116043.db2.gz QAAIHYANEAPLOS-UHFFFAOYSA-N 1 2 339.399 0.771 20 30 ECEDLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)CC1 ZINC000592030433 439137590 /nfs/dbraw/zinc/13/75/90/439137590.db2.gz DBTDNFCTWDYDKX-CQSZACIVSA-N 1 2 337.445 0.581 20 30 ECEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000602937148 439164873 /nfs/dbraw/zinc/16/48/73/439164873.db2.gz RFWLUSSGIKNPFE-MORSLUCNSA-N 1 2 341.367 0.757 20 30 ECEDLO N#Cc1cccc(OCc2cn(C[C@@H](O)C[NH+]3CCOCC3)nn2)c1 ZINC000603256081 439221125 /nfs/dbraw/zinc/22/11/25/439221125.db2.gz DNJSKQLDTHHHLZ-INIZCTEOSA-N 1 2 343.387 0.422 20 30 ECEDLO N#Cc1cccnc1N1CCN(S(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000603269567 439223738 /nfs/dbraw/zinc/22/37/38/439223738.db2.gz ULVLNIKOEYWTKR-UHFFFAOYSA-N 1 2 346.416 0.302 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1F ZINC000489438497 439225643 /nfs/dbraw/zinc/22/56/43/439225643.db2.gz MCXSHLIZOPVHOF-CYBMUJFWSA-N 1 2 339.392 0.839 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1F ZINC000489438497 439225645 /nfs/dbraw/zinc/22/56/45/439225645.db2.gz MCXSHLIZOPVHOF-CYBMUJFWSA-N 1 2 339.392 0.839 20 30 ECEDLO CN(CCCNC(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N)S(C)(=O)=O ZINC000602977399 439174973 /nfs/dbraw/zinc/17/49/73/439174973.db2.gz ASZFQTILCFNZEX-CHWSQXEVSA-N 1 2 330.454 0.008 20 30 ECEDLO CN(CCCNC(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N)S(C)(=O)=O ZINC000602977399 439174978 /nfs/dbraw/zinc/17/49/78/439174978.db2.gz ASZFQTILCFNZEX-CHWSQXEVSA-N 1 2 330.454 0.008 20 30 ECEDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000592199488 439180501 /nfs/dbraw/zinc/18/05/01/439180501.db2.gz QRMNIIAPDHXZHY-UONOGXRCSA-N 1 2 342.355 0.964 20 30 ECEDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000592199488 439180502 /nfs/dbraw/zinc/18/05/02/439180502.db2.gz QRMNIIAPDHXZHY-UONOGXRCSA-N 1 2 342.355 0.964 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000603073065 439189797 /nfs/dbraw/zinc/18/97/97/439189797.db2.gz MCKAPWSFKGRIEH-OAHLLOKOSA-N 1 2 336.367 0.854 20 30 ECEDLO CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592498190 439240024 /nfs/dbraw/zinc/24/00/24/439240024.db2.gz ZQUMRBVFZJKFDJ-ZDUSSCGKSA-N 1 2 334.405 0.115 20 30 ECEDLO CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592498190 439240030 /nfs/dbraw/zinc/24/00/30/439240030.db2.gz ZQUMRBVFZJKFDJ-ZDUSSCGKSA-N 1 2 334.405 0.115 20 30 ECEDLO C[N@H+](CCN1CCCS1(=O)=O)Cc1cnc2c(C#N)cnn2c1 ZINC000592505449 439244197 /nfs/dbraw/zinc/24/41/97/439244197.db2.gz SMIITEVQHRJGCZ-UHFFFAOYSA-N 1 2 334.405 0.068 20 30 ECEDLO C[N@@H+](CCN1CCCS1(=O)=O)Cc1cnc2c(C#N)cnn2c1 ZINC000592505449 439244201 /nfs/dbraw/zinc/24/42/01/439244201.db2.gz SMIITEVQHRJGCZ-UHFFFAOYSA-N 1 2 334.405 0.068 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN[C@@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000490951390 439317191 /nfs/dbraw/zinc/31/71/91/439317191.db2.gz XOKZZVXATWXBQH-ZDUSSCGKSA-N 1 2 333.436 0.795 20 30 ECEDLO CN(C)C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000592995988 439327520 /nfs/dbraw/zinc/32/75/20/439327520.db2.gz LHEAFNCHYFWQFM-UHFFFAOYSA-N 1 2 331.376 0.672 20 30 ECEDLO CC(=O)N1CC[NH+](CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000528345058 439329100 /nfs/dbraw/zinc/32/91/00/439329100.db2.gz NVQQWPAIFONXFL-UHFFFAOYSA-N 1 2 325.368 0.450 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)N2C[C@@H](CC)S(=O)(=O)[C@@H](C)C2)CC1 ZINC000491096940 439330388 /nfs/dbraw/zinc/33/03/88/439330388.db2.gz YBGPRHZMSWGODW-DZGCQCFKSA-N 1 2 326.462 0.756 20 30 ECEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000528447485 439336633 /nfs/dbraw/zinc/33/66/33/439336633.db2.gz UZLFCWYMZRZDSP-HNNXBMFYSA-N 1 2 339.395 0.302 20 30 ECEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000528447485 439336635 /nfs/dbraw/zinc/33/66/35/439336635.db2.gz UZLFCWYMZRZDSP-HNNXBMFYSA-N 1 2 339.395 0.302 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCOC[C@H]2c2cccn2C)CC1 ZINC000490739692 439294312 /nfs/dbraw/zinc/29/43/12/439294312.db2.gz JZVXGBXMMUDCON-KRWDZBQOSA-N 1 2 330.432 0.176 20 30 ECEDLO C#CC[N@@H+](C[C@H](O)COc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000490838485 439301802 /nfs/dbraw/zinc/30/18/02/439301802.db2.gz CCQCREALVDGCNQ-HOTGVXAUSA-N 1 2 337.441 0.857 20 30 ECEDLO C#CC[N@H+](C[C@H](O)COc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000490838485 439301809 /nfs/dbraw/zinc/30/18/09/439301809.db2.gz CCQCREALVDGCNQ-HOTGVXAUSA-N 1 2 337.441 0.857 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cc(Cl)c2=O)CC1 ZINC000490831621 439303468 /nfs/dbraw/zinc/30/34/68/439303468.db2.gz WHPXZBIPWYGMOD-UHFFFAOYSA-N 1 2 338.751 0.187 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000582561496 439352549 /nfs/dbraw/zinc/35/25/49/439352549.db2.gz QAOXAANYGPHKFC-GJZGRUSLSA-N 1 2 334.420 0.877 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCO[C@H]2C=C)CC1 ZINC000491387219 439376389 /nfs/dbraw/zinc/37/63/89/439376389.db2.gz XPCLGFUDAIFWKB-CVEARBPZSA-N 1 2 333.432 0.251 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCO[C@H]2C=C)CC1 ZINC000491387219 439376395 /nfs/dbraw/zinc/37/63/95/439376395.db2.gz XPCLGFUDAIFWKB-CVEARBPZSA-N 1 2 333.432 0.251 20 30 ECEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000599193306 439377992 /nfs/dbraw/zinc/37/79/92/439377992.db2.gz JIGOIRMYZFTWQV-ZDUSSCGKSA-N 1 2 349.460 0.782 20 30 ECEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000599193306 439377996 /nfs/dbraw/zinc/37/79/96/439377996.db2.gz JIGOIRMYZFTWQV-ZDUSSCGKSA-N 1 2 349.460 0.782 20 30 ECEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N(CCC#N)CCN1CCOCC1)CC2 ZINC000599230279 439393182 /nfs/dbraw/zinc/39/31/82/439393182.db2.gz OXLKYPWGCFOUAQ-INIZCTEOSA-N 1 2 345.447 0.828 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@H]32)CC1 ZINC000491525725 439401529 /nfs/dbraw/zinc/40/15/29/439401529.db2.gz UVJWACILBIILKZ-CVEARBPZSA-N 1 2 338.473 0.900 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000491538077 439401948 /nfs/dbraw/zinc/40/19/48/439401948.db2.gz WYLQZABYPOTULB-UHFFFAOYSA-N 1 2 346.387 0.470 20 30 ECEDLO C[C@H](CNS(=O)(=O)c1ccsc1C#N)C[NH+]1CCN(C)CC1 ZINC000593553157 439403367 /nfs/dbraw/zinc/40/33/67/439403367.db2.gz QGRZNFDPNOTVII-GFCCVEGCSA-N 1 2 342.490 0.782 20 30 ECEDLO N#Cc1cccc(CS(=O)(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000570039803 439384761 /nfs/dbraw/zinc/38/47/61/439384761.db2.gz YQNLPNTWOOZEEA-IYBDPMFKSA-N 1 2 335.429 0.841 20 30 ECEDLO N#Cc1cccc(CS(=O)(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000570039803 439384765 /nfs/dbraw/zinc/38/47/65/439384765.db2.gz YQNLPNTWOOZEEA-IYBDPMFKSA-N 1 2 335.429 0.841 20 30 ECEDLO C#CCN(C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000491622307 439412521 /nfs/dbraw/zinc/41/25/21/439412521.db2.gz IAMKGAVVOXDXED-BBRMVZONSA-N 1 2 344.452 0.848 20 30 ECEDLO C#CCN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000491622307 439412525 /nfs/dbraw/zinc/41/25/25/439412525.db2.gz IAMKGAVVOXDXED-BBRMVZONSA-N 1 2 344.452 0.848 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000491641175 439416962 /nfs/dbraw/zinc/41/69/62/439416962.db2.gz PMJDZHSFXZNILG-UHFFFAOYSA-N 1 2 331.416 0.441 20 30 ECEDLO C#CCN(CC#CC)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000491691181 439428310 /nfs/dbraw/zinc/42/83/10/439428310.db2.gz OEJOFSPAYYYZNV-INIZCTEOSA-N 1 2 328.416 0.968 20 30 ECEDLO C#CCN(CC#CC)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000491691181 439428315 /nfs/dbraw/zinc/42/83/15/439428315.db2.gz OEJOFSPAYYYZNV-INIZCTEOSA-N 1 2 328.416 0.968 20 30 ECEDLO Cn1cnnc1N1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000594022394 439509932 /nfs/dbraw/zinc/50/99/32/439509932.db2.gz GMTNFPMJISXJRW-UHFFFAOYSA-N 1 2 339.403 0.125 20 30 ECEDLO COC[C@]1(C(=O)OC)CCC[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC000599475009 439483798 /nfs/dbraw/zinc/48/37/98/439483798.db2.gz XORVNISEGAWFEL-YJBOKZPZSA-N 1 2 348.399 0.952 20 30 ECEDLO COC[C@]1(C(=O)OC)CCC[N@H+]1C[C@H](O)COc1ccccc1C#N ZINC000599475009 439483800 /nfs/dbraw/zinc/48/38/00/439483800.db2.gz XORVNISEGAWFEL-YJBOKZPZSA-N 1 2 348.399 0.952 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000583600079 439483886 /nfs/dbraw/zinc/48/38/86/439483886.db2.gz HJTUJPYAXGAOFM-WMLDXEAASA-N 1 2 335.452 0.874 20 30 ECEDLO C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)N1C(=O)NC2(CCCC2)C1=O ZINC000571885532 439539828 /nfs/dbraw/zinc/53/98/28/439539828.db2.gz QVWFJFWNZLZKAQ-IAQYHMDHSA-N 1 2 335.408 0.200 20 30 ECEDLO Cc1cc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)c(C#N)c[nH+]1 ZINC000584049373 439544010 /nfs/dbraw/zinc/54/40/10/439544010.db2.gz XQYSUINCRMNIFY-UHFFFAOYSA-N 1 2 327.388 0.533 20 30 ECEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000594420270 439558195 /nfs/dbraw/zinc/55/81/95/439558195.db2.gz KOGDNJZKJHWVPB-YOEHRIQHSA-N 1 2 331.416 0.546 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)NC[C@@H](C)C#N)CC1 ZINC000542877655 439559299 /nfs/dbraw/zinc/55/92/99/439559299.db2.gz PJDFZEAKXMGLHG-KBPBESRZSA-N 1 2 339.440 0.014 20 30 ECEDLO N#CC1(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000532220614 439516719 /nfs/dbraw/zinc/51/67/19/439516719.db2.gz VNSZBWXKNNLBBJ-UHFFFAOYSA-N 1 2 327.388 0.683 20 30 ECEDLO C[C@H](CNS(=O)(=O)c1ccc(C#N)nc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471545 439566810 /nfs/dbraw/zinc/56/68/10/439566810.db2.gz HVHUBMHXQZYUIU-UPJWGTAASA-N 1 2 338.433 0.729 20 30 ECEDLO C[C@H](CNS(=O)(=O)c1ccc(C#N)nc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471545 439566813 /nfs/dbraw/zinc/56/68/13/439566813.db2.gz HVHUBMHXQZYUIU-UPJWGTAASA-N 1 2 338.433 0.729 20 30 ECEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)NCCCN2CCCC2=O)CC1 ZINC000609537522 439573760 /nfs/dbraw/zinc/57/37/60/439573760.db2.gz AFHURTBEFWSGNE-INIZCTEOSA-N 1 2 349.479 0.281 20 30 ECEDLO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 ZINC000492928200 439589713 /nfs/dbraw/zinc/58/97/13/439589713.db2.gz DMWXNLSKAQCAGZ-CHWSQXEVSA-N 1 2 338.408 0.288 20 30 ECEDLO C[N@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 ZINC000492928200 439589718 /nfs/dbraw/zinc/58/97/18/439589718.db2.gz DMWXNLSKAQCAGZ-CHWSQXEVSA-N 1 2 338.408 0.288 20 30 ECEDLO CO[C@@H](Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O)[C@@H]1CCOC1 ZINC000594897197 439640436 /nfs/dbraw/zinc/64/04/36/439640436.db2.gz CAJXFQLQHZSUNL-WBVHZDCISA-N 1 2 347.415 0.604 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000585719179 439644278 /nfs/dbraw/zinc/64/42/78/439644278.db2.gz VPWVVKYNKZBHCD-KBPBESRZSA-N 1 2 344.415 0.572 20 30 ECEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000600422635 439655739 /nfs/dbraw/zinc/65/57/39/439655739.db2.gz WMQAPMZKZQWNPT-HNNXBMFYSA-N 1 2 325.372 0.804 20 30 ECEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000600422635 439655741 /nfs/dbraw/zinc/65/57/41/439655741.db2.gz WMQAPMZKZQWNPT-HNNXBMFYSA-N 1 2 325.372 0.804 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cccc(C#N)c2)[C@@H](C)CO1 ZINC000595125407 439656825 /nfs/dbraw/zinc/65/68/25/439656825.db2.gz IMPYIONKOAXYNM-QWHCGFSZSA-N 1 2 330.388 0.722 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cccc(C#N)c2)[C@@H](C)CO1 ZINC000595125407 439656829 /nfs/dbraw/zinc/65/68/29/439656829.db2.gz IMPYIONKOAXYNM-QWHCGFSZSA-N 1 2 330.388 0.722 20 30 ECEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586860420 439665417 /nfs/dbraw/zinc/66/54/17/439665417.db2.gz FKKVPXGTTBALQZ-GFCCVEGCSA-N 1 2 348.378 0.150 20 30 ECEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586860420 439665420 /nfs/dbraw/zinc/66/54/20/439665420.db2.gz FKKVPXGTTBALQZ-GFCCVEGCSA-N 1 2 348.378 0.150 20 30 ECEDLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)CC1 ZINC000595162157 439665655 /nfs/dbraw/zinc/66/56/55/439665655.db2.gz REBLDVJAMVCXBU-KRWDZBQOSA-N 1 2 336.436 0.318 20 30 ECEDLO COCC[N@H+](CCC#N)C[C@H](O)Cn1c(-c2ccccc2)noc1=O ZINC000610511776 439622248 /nfs/dbraw/zinc/62/22/48/439622248.db2.gz WRPRVNTVQNADTQ-HNNXBMFYSA-N 1 2 346.387 0.726 20 30 ECEDLO COCC[N@@H+](CCC#N)C[C@H](O)Cn1c(-c2ccccc2)noc1=O ZINC000610511776 439622251 /nfs/dbraw/zinc/62/22/51/439622251.db2.gz WRPRVNTVQNADTQ-HNNXBMFYSA-N 1 2 346.387 0.726 20 30 ECEDLO CC(C)NC(=O)C(=O)N1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595289731 439690619 /nfs/dbraw/zinc/69/06/19/439690619.db2.gz QNGQUFNGVKUMID-UHFFFAOYSA-N 1 2 328.416 0.770 20 30 ECEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000614363081 439774950 /nfs/dbraw/zinc/77/49/50/439774950.db2.gz GYWQGTBCTXDLFI-UHFFFAOYSA-N 1 2 330.388 0.548 20 30 ECEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000614363081 439774951 /nfs/dbraw/zinc/77/49/51/439774951.db2.gz GYWQGTBCTXDLFI-UHFFFAOYSA-N 1 2 330.388 0.548 20 30 ECEDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000595501776 439735930 /nfs/dbraw/zinc/73/59/30/439735930.db2.gz MYABEEKEXWPLQB-HZSPNIEDSA-N 1 2 337.401 0.218 20 30 ECEDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000595501776 439735931 /nfs/dbraw/zinc/73/59/31/439735931.db2.gz MYABEEKEXWPLQB-HZSPNIEDSA-N 1 2 337.401 0.218 20 30 ECEDLO C=CC(C)(C)CCNC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000637041714 440141543 /nfs/dbraw/zinc/14/15/43/440141543.db2.gz WVYFXXHZAVZFAO-UHFFFAOYSA-N 1 2 325.453 0.932 20 30 ECEDLO C=CC(C)(C)CCNC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000637041714 440141550 /nfs/dbraw/zinc/14/15/50/440141550.db2.gz WVYFXXHZAVZFAO-UHFFFAOYSA-N 1 2 325.453 0.932 20 30 ECEDLO CC#CC[C@@H](CO)NC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000637528299 440293250 /nfs/dbraw/zinc/29/32/50/440293250.db2.gz NTTRVEBQAIHHNB-IRXDYDNUSA-N 1 2 346.431 0.356 20 30 ECEDLO CC#CC[C@@H](CO)NC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000637528299 440293258 /nfs/dbraw/zinc/29/32/58/440293258.db2.gz NTTRVEBQAIHHNB-IRXDYDNUSA-N 1 2 346.431 0.356 20 30 ECEDLO CC#CC[C@H](CO)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000649181047 440407051 /nfs/dbraw/zinc/40/70/51/440407051.db2.gz SGVOGXMIEZPLLE-UKRRQHHQSA-N 1 2 334.420 0.374 20 30 ECEDLO CC#CC[C@H](CO)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000649181047 440407056 /nfs/dbraw/zinc/40/70/56/440407056.db2.gz SGVOGXMIEZPLLE-UKRRQHHQSA-N 1 2 334.420 0.374 20 30 ECEDLO CC#CC[C@H](CO)NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000645155269 440755741 /nfs/dbraw/zinc/75/57/41/440755741.db2.gz WACXUCDNMPFQRO-OAHLLOKOSA-N 1 2 332.404 0.492 20 30 ECEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NCCn1cnc(C#N)n1)CCC2 ZINC000557922026 322212030 /nfs/dbraw/zinc/21/20/30/322212030.db2.gz VZOOBBRUKBADJL-LBPRGKRZSA-N 1 2 328.380 0.532 20 30 ECEDLO N#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000563106568 322298632 /nfs/dbraw/zinc/29/86/32/322298632.db2.gz XPUXJVIHEFDQCF-CQSZACIVSA-N 1 2 343.387 0.215 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3COCCO3)CC2)cc1 ZINC000057078755 545674512 /nfs/dbraw/zinc/67/45/12/545674512.db2.gz IVJMXDUGEFMNLS-QGZVFWFLSA-N 1 2 344.415 0.801 20 30 ECEDLO Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000329185711 546016424 /nfs/dbraw/zinc/01/64/24/546016424.db2.gz POAQACZSRGODMY-NSHDSACASA-N 1 2 333.392 0.551 20 30 ECEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H](C)Cn3cncn3)C2)CC1 ZINC000329179672 546016458 /nfs/dbraw/zinc/01/64/58/546016458.db2.gz NWWODXDWEIDZCR-LSDHHAIUSA-N 1 2 335.456 0.292 20 30 ECEDLO CN1CC[N@H+](C)C[C@H]1CNC(=O)CCS(=O)(=O)C1CCCC1 ZINC000329420046 546023652 /nfs/dbraw/zinc/02/36/52/546023652.db2.gz FBFRUOBOFGFVAS-CYBMUJFWSA-N 1 2 331.482 0.936 20 30 ECEDLO CN1CC[N@@H+](C)C[C@H]1CNC(=O)CCS(=O)(=O)C1CCCC1 ZINC000329420046 546023655 /nfs/dbraw/zinc/02/36/55/546023655.db2.gz FBFRUOBOFGFVAS-CYBMUJFWSA-N 1 2 331.482 0.936 20 30 ECEDLO C[C@H](CNC(=O)N1CC[C@H](NC(=O)NC2CC2)C1)[NH+]1CCOCC1 ZINC000329503947 546025951 /nfs/dbraw/zinc/02/59/51/546025951.db2.gz IEQYKNMHYGHFAE-OCCSQVGLSA-N 1 2 339.440 0.361 20 30 ECEDLO Cc1cc(N2CC[C@@H](NC(=O)N3CCn4cc[nH+]c4C3)C2=O)n(C)n1 ZINC000329796952 546034437 /nfs/dbraw/zinc/03/44/37/546034437.db2.gz FFJXICSPTZJUQL-GFCCVEGCSA-N 1 2 343.391 0.460 20 30 ECEDLO C=C[C@H](C(=O)OC)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000619718175 546363432 /nfs/dbraw/zinc/36/34/32/546363432.db2.gz CBYXBQIBCSAPLK-CQSZACIVSA-N 1 2 347.419 0.163 20 30 ECEDLO C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2[nH+]ccn2CC)C1=O ZINC000622083205 546627315 /nfs/dbraw/zinc/62/73/15/546627315.db2.gz ZMONYZWFTITAJO-JTQLQIEISA-N 1 2 333.348 0.057 20 30 ECEDLO CC(C)NC(=O)C[N@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000625066555 547016025 /nfs/dbraw/zinc/01/60/25/547016025.db2.gz VETKWCLBZLWKKK-UHFFFAOYSA-N 1 2 327.384 0.742 20 30 ECEDLO CC(C)NC(=O)C[N@@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000625066555 547016028 /nfs/dbraw/zinc/01/60/28/547016028.db2.gz VETKWCLBZLWKKK-UHFFFAOYSA-N 1 2 327.384 0.742 20 30 ECEDLO C=CCN(C)C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000682125338 549364312 /nfs/dbraw/zinc/36/43/12/549364312.db2.gz ZDJONCOAPFNHLB-UHFFFAOYSA-N 1 2 344.415 0.657 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3oc(C)nc3C)C[C@H]2O)cn1 ZINC001078032213 782179538 /nfs/dbraw/zinc/17/95/38/782179538.db2.gz DBONCRIXXFFMDW-HZPDHXFCSA-N 1 2 340.383 0.643 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3oc(C)nc3C)C[C@H]2O)cn1 ZINC001078032213 782179543 /nfs/dbraw/zinc/17/95/43/782179543.db2.gz DBONCRIXXFFMDW-HZPDHXFCSA-N 1 2 340.383 0.643 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3conc3C)C[C@H]2O)cn1 ZINC001078032416 782179686 /nfs/dbraw/zinc/17/96/86/782179686.db2.gz MULVXTHKMVPEMO-HZPDHXFCSA-N 1 2 326.356 0.334 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3conc3C)C[C@H]2O)cn1 ZINC001078032416 782179688 /nfs/dbraw/zinc/17/96/88/782179688.db2.gz MULVXTHKMVPEMO-HZPDHXFCSA-N 1 2 326.356 0.334 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@@H](C)O[C@@H](C(F)(F)F)C2)CC1 ZINC000748823497 579329558 /nfs/dbraw/zinc/32/95/58/579329558.db2.gz AKNYCFVWDPJGQR-CHWSQXEVSA-N 1 2 333.354 0.415 20 30 ECEDLO CC(CCO)N=Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000749854210 579344181 /nfs/dbraw/zinc/34/41/81/579344181.db2.gz IFVWBWKRFNJIED-UHFFFAOYSA-N 1 2 341.437 0.188 20 30 ECEDLO N#Cc1cccn(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c1=O ZINC000750608512 579355492 /nfs/dbraw/zinc/35/54/92/579355492.db2.gz XAHOHTKSXONXQK-UHFFFAOYSA-N 1 2 330.388 0.248 20 30 ECEDLO COC[C@H](C#N)OC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000750815502 579359097 /nfs/dbraw/zinc/35/90/97/579359097.db2.gz PLAVYEHBVXHREZ-AWEZNQCLSA-N 1 2 346.387 0.592 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)COc1cccc(C#N)c1 ZINC000751431267 579367828 /nfs/dbraw/zinc/36/78/28/579367828.db2.gz NMLHMBGRNDMLMR-OAHLLOKOSA-N 1 2 333.388 0.089 20 30 ECEDLO C[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2cccc(OCC#N)c2)CCO1 ZINC000726294166 578141200 /nfs/dbraw/zinc/14/12/00/578141200.db2.gz NRDWSUNFLNWCLL-ZDUSSCGKSA-N 1 2 346.387 0.364 20 30 ECEDLO C[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cccc(OCC#N)c2)CCO1 ZINC000726294166 578141201 /nfs/dbraw/zinc/14/12/01/578141201.db2.gz NRDWSUNFLNWCLL-ZDUSSCGKSA-N 1 2 346.387 0.364 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000730275690 578304341 /nfs/dbraw/zinc/30/43/41/578304341.db2.gz TVUGITSXPOAYNK-AWEZNQCLSA-N 1 2 341.371 0.421 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000730275690 578304342 /nfs/dbraw/zinc/30/43/42/578304342.db2.gz TVUGITSXPOAYNK-AWEZNQCLSA-N 1 2 341.371 0.421 20 30 ECEDLO C=CCCC(=O)OCC[NH+]1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 ZINC000733691622 578344170 /nfs/dbraw/zinc/34/41/70/578344170.db2.gz ACSDNIAGBQYYBM-UHFFFAOYSA-N 1 2 348.403 0.048 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2cc3c(nc4ccccn4c3=O)n2C)CC1 ZINC000784410161 578751565 /nfs/dbraw/zinc/75/15/65/578751565.db2.gz DMPBLCBOHZZPGE-UHFFFAOYSA-N 1 2 349.394 0.577 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2cnc3c(cnn3C)c2OC)CC1 ZINC000785367543 578766839 /nfs/dbraw/zinc/76/68/39/578766839.db2.gz RZWJYJMDTPTYSH-UHFFFAOYSA-N 1 2 327.388 0.758 20 30 ECEDLO CC(C)(C#N)CCOC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785653950 578772373 /nfs/dbraw/zinc/77/23/73/578772373.db2.gz DASRGYYAVOKGKD-AWEZNQCLSA-N 1 2 337.420 0.650 20 30 ECEDLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)CC(C)(C)C#N)[C@@H](C)C1 ZINC000790044539 578867037 /nfs/dbraw/zinc/86/70/37/578867037.db2.gz ZRKZNDASJFLNJD-LBPRGKRZSA-N 1 2 331.438 0.435 20 30 ECEDLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)CC(C)(C)C#N)[C@@H](C)C1 ZINC000790044539 578867038 /nfs/dbraw/zinc/86/70/38/578867038.db2.gz ZRKZNDASJFLNJD-LBPRGKRZSA-N 1 2 331.438 0.435 20 30 ECEDLO C#CCCN(CC(F)(F)F)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000767247861 579104229 /nfs/dbraw/zinc/10/42/29/579104229.db2.gz WSWJYJOJDATRAY-UHFFFAOYSA-N 1 2 342.383 0.926 20 30 ECEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCn1cc[nH+]c1 ZINC000772001906 579198839 /nfs/dbraw/zinc/19/88/39/579198839.db2.gz LGJCTKIEEFCVRB-LBPRGKRZSA-N 1 2 348.384 0.665 20 30 ECEDLO CCn1c(=O)c(=Cc2cc(OC)cc(C)[nH+]2)sc1=C(C#N)C#N ZINC000776753608 579288746 /nfs/dbraw/zinc/28/87/46/579288746.db2.gz SSQGKDOUXZWIDJ-UHFFFAOYSA-N 1 2 326.381 0.668 20 30 ECEDLO C#CCOc1ccccc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000778948053 579312736 /nfs/dbraw/zinc/31/27/36/579312736.db2.gz SIYLXWJLOUVFAU-AWEZNQCLSA-N 1 2 345.399 0.162 20 30 ECEDLO C#CCOc1ccccc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000778948053 579312737 /nfs/dbraw/zinc/31/27/37/579312737.db2.gz SIYLXWJLOUVFAU-AWEZNQCLSA-N 1 2 345.399 0.162 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC000761024819 579519612 /nfs/dbraw/zinc/51/96/12/579519612.db2.gz PZJHYLSGEMKYQY-HZPDHXFCSA-N 1 2 343.493 0.667 20 30 ECEDLO COc1nccnc1[N-][NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000763412756 579559977 /nfs/dbraw/zinc/55/99/77/579559977.db2.gz SFUPBCJZIASPHB-UHFFFAOYSA-N 1 2 328.380 0.473 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](CCc2ccccc2F)CC1 ZINC000763732737 579564880 /nfs/dbraw/zinc/56/48/80/579564880.db2.gz DCJVVGNAHMEFMJ-UHFFFAOYSA-N 1 2 325.409 0.453 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000742912475 579793027 /nfs/dbraw/zinc/79/30/27/579793027.db2.gz OGVFQZSHNCKXCX-YUELXQCFSA-N 1 2 329.404 0.128 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000742912475 579793029 /nfs/dbraw/zinc/79/30/29/579793029.db2.gz OGVFQZSHNCKXCX-YUELXQCFSA-N 1 2 329.404 0.128 20 30 ECEDLO N#Cc1cnn(-c2ccc(C(=O)OCC[NH+]3CCOCC3)cc2)c1N ZINC000747693599 579854101 /nfs/dbraw/zinc/85/41/01/579854101.db2.gz LNBNGLQEMRTGNM-UHFFFAOYSA-N 1 2 341.371 0.815 20 30 ECEDLO C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000867262052 588988194 /nfs/dbraw/zinc/98/81/94/588988194.db2.gz WCYIOQCXSNGXAN-DLBZAZTESA-N 1 2 336.457 0.871 20 30 ECEDLO C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000867262052 588988195 /nfs/dbraw/zinc/98/81/95/588988195.db2.gz WCYIOQCXSNGXAN-DLBZAZTESA-N 1 2 336.457 0.871 20 30 ECEDLO CC(C[C@@H]1CCCC(=O)N1)=NNC(=S)NCC[NH+]1CCOCC1 ZINC000841606556 588996224 /nfs/dbraw/zinc/99/62/24/588996224.db2.gz HORGSWXHCWCUHW-ZDUSSCGKSA-N 1 2 341.481 0.217 20 30 ECEDLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC1 ZINC000866842523 586049665 /nfs/dbraw/zinc/04/96/65/586049665.db2.gz XEEDDFCOJFWVQH-NSHDSACASA-N 1 2 327.381 0.384 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2nc(Br)c[nH]2)CC1 ZINC000891535189 586174251 /nfs/dbraw/zinc/17/42/51/586174251.db2.gz BXIQLVFNNMYXPS-UHFFFAOYSA-N 1 2 342.241 0.592 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cccc(C)c2F)CC1 ZINC000895917376 586212957 /nfs/dbraw/zinc/21/29/57/586212957.db2.gz FGVIBPYTDNNODN-UHFFFAOYSA-N 1 2 325.409 0.719 20 30 ECEDLO Cc1cc(C#N)cc(N2CC[NH+](C[C@@H]3CCCS3(=O)=O)CC2)n1 ZINC000894752711 586409493 /nfs/dbraw/zinc/40/94/93/586409493.db2.gz FRWHQOVTNIWQDW-HNNXBMFYSA-N 1 2 334.445 0.961 20 30 ECEDLO CON=C(C(=O)N[C@H]1CCC[N@H+](CCF)C1)c1csc(N)n1 ZINC000898503741 586429204 /nfs/dbraw/zinc/42/92/04/586429204.db2.gz LVNBALXJRIXLEC-VIFPVBQESA-N 1 2 329.401 0.626 20 30 ECEDLO CON=C(C(=O)N[C@H]1CCC[N@@H+](CCF)C1)c1csc(N)n1 ZINC000898503741 586429205 /nfs/dbraw/zinc/42/92/05/586429205.db2.gz LVNBALXJRIXLEC-VIFPVBQESA-N 1 2 329.401 0.626 20 30 ECEDLO C#CCOCCC(=O)N1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000907583528 586740285 /nfs/dbraw/zinc/74/02/85/586740285.db2.gz PEINPBYFSLHTHZ-KRWDZBQOSA-N 1 2 340.383 0.682 20 30 ECEDLO CCCN1C(=O)C(=O)N(C[NH+]2CCC3(CC2)CC(=O)C=CO3)C1=O ZINC000902600486 586746736 /nfs/dbraw/zinc/74/67/36/586746736.db2.gz UUXYFGHSPXJVAC-UHFFFAOYSA-N 1 2 335.360 0.482 20 30 ECEDLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000805473208 586910381 /nfs/dbraw/zinc/91/03/81/586910381.db2.gz STGIGWCUOZOZDK-HEHGZKQESA-N 1 2 325.409 0.693 20 30 ECEDLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000805473208 586910383 /nfs/dbraw/zinc/91/03/83/586910383.db2.gz STGIGWCUOZOZDK-HEHGZKQESA-N 1 2 325.409 0.693 20 30 ECEDLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)C1 ZINC000805469997 586910523 /nfs/dbraw/zinc/91/05/23/586910523.db2.gz UAWAUQYUTSVRDY-AAEUAGOBSA-N 1 2 337.401 0.892 20 30 ECEDLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)C1 ZINC000805469997 586910525 /nfs/dbraw/zinc/91/05/25/586910525.db2.gz UAWAUQYUTSVRDY-AAEUAGOBSA-N 1 2 337.401 0.892 20 30 ECEDLO CC(=O)N1CC[NH+](CCNC(=O)[C@]2(C#N)CC3CCC2CC3)CC1 ZINC000906161330 586935206 /nfs/dbraw/zinc/93/52/06/586935206.db2.gz DXGNBSJLSZRONF-HTWSVDAQSA-N 1 2 332.448 0.987 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2OCC[C@H]2C(C)C)CC1 ZINC000843790241 589079621 /nfs/dbraw/zinc/07/96/21/589079621.db2.gz GVVQPGVTEWMDMA-RDJZCZTQSA-N 1 2 335.448 0.331 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2OCC[C@H]2C(C)C)CC1 ZINC000843790241 589079623 /nfs/dbraw/zinc/07/96/23/589079623.db2.gz GVVQPGVTEWMDMA-RDJZCZTQSA-N 1 2 335.448 0.331 20 30 ECEDLO CCCN(CCC)S(=O)(=O)N1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000801949905 587006398 /nfs/dbraw/zinc/00/63/98/587006398.db2.gz QNOHYASBQNUKKM-OAHLLOKOSA-N 1 2 346.497 0.899 20 30 ECEDLO C#Cc1cncc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000806829785 587108678 /nfs/dbraw/zinc/10/86/78/587108678.db2.gz WZTOYFWORPVDSK-UHFFFAOYSA-N 1 2 335.429 0.302 20 30 ECEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)COc1cccc(C#N)c1 ZINC000807281177 587123404 /nfs/dbraw/zinc/12/34/04/587123404.db2.gz PVODZUDHEWUJGJ-CQSZACIVSA-N 1 2 328.328 0.492 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[C@@H]1CCCO1 ZINC000809307914 587173959 /nfs/dbraw/zinc/17/39/59/587173959.db2.gz HZCLBMHFYYCACO-ZFWWWQNUSA-N 1 2 330.388 0.413 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[C@@H]1CCCO1 ZINC000809307914 587173960 /nfs/dbraw/zinc/17/39/60/587173960.db2.gz HZCLBMHFYYCACO-ZFWWWQNUSA-N 1 2 330.388 0.413 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)[C@H]1CCCO1 ZINC000809312269 587174988 /nfs/dbraw/zinc/17/49/88/587174988.db2.gz LZGODDWCLBBBMP-CAOSSQGBSA-N 1 2 344.415 0.590 20 30 ECEDLO C#CCOc1cc(F)ccc1NC(=O)C(=O)NCc1c[nH+]cn1C ZINC000810431932 587196048 /nfs/dbraw/zinc/19/60/48/587196048.db2.gz MPNZWFGUPIOSPT-UHFFFAOYSA-N 1 2 330.319 0.826 20 30 ECEDLO FC(F)Cn1cc(C=NNC(=S)NCC[NH+]2CCOCC2)cn1 ZINC000814213911 587271658 /nfs/dbraw/zinc/27/16/58/587271658.db2.gz MAZOJIKFHFAHQO-UHFFFAOYSA-N 1 2 346.407 0.278 20 30 ECEDLO CC(=NNc1[nH+]ccn1C)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000814918922 587280182 /nfs/dbraw/zinc/28/01/82/587280182.db2.gz IABVSQAQALGRIQ-UHFFFAOYSA-N 1 2 335.389 0.515 20 30 ECEDLO CCOc1ccc(N[NH+]=Cc2c(=O)n(C)c(=O)n(C)c2N(C)C)cc1 ZINC000814983921 587280415 /nfs/dbraw/zinc/28/04/15/587280415.db2.gz IGLATTBXOFFCCD-UHFFFAOYSA-N 1 2 345.403 0.995 20 30 ECEDLO CC(C)[C@@H](C(=O)N[C@H]1CCCN(O)C1=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000816754860 587323827 /nfs/dbraw/zinc/32/38/27/587323827.db2.gz NNSPVHAQKLSVIX-CRWXNKLISA-N 1 2 327.425 0.617 20 30 ECEDLO CC(C)[C@@H](C(=O)N[C@H]1CCCN(O)C1=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000816754860 587323829 /nfs/dbraw/zinc/32/38/29/587323829.db2.gz NNSPVHAQKLSVIX-CRWXNKLISA-N 1 2 327.425 0.617 20 30 ECEDLO O=c1[nH]c2ccc(C=NNC(=S)NCC[NH+]3CCOCC3)cc2[nH]1 ZINC000817322415 587338689 /nfs/dbraw/zinc/33/86/89/587338689.db2.gz WYZLRPVZMAUFAV-UHFFFAOYSA-N 1 2 348.432 0.399 20 30 ECEDLO C#Cc1cccc(CNC(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)c1 ZINC000817449080 587342141 /nfs/dbraw/zinc/34/21/41/587342141.db2.gz LWYTYPZNSUHQIP-CQSZACIVSA-N 1 2 329.400 0.121 20 30 ECEDLO C#CCNC(=O)CC[NH2+]c1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000819437843 587479292 /nfs/dbraw/zinc/47/92/92/587479292.db2.gz OTKCWVCLKZJRKE-UHFFFAOYSA-N 1 2 334.807 0.828 20 30 ECEDLO COCC[N@H+](CCC#N)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821689404 587622567 /nfs/dbraw/zinc/62/25/67/587622567.db2.gz YZJPCPVOJPJIIX-CQSZACIVSA-N 1 2 346.391 0.468 20 30 ECEDLO COCC[N@@H+](CCC#N)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821689404 587622569 /nfs/dbraw/zinc/62/25/69/587622569.db2.gz YZJPCPVOJPJIIX-CQSZACIVSA-N 1 2 346.391 0.468 20 30 ECEDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CC1(C#N)CC1 ZINC000824999184 587909828 /nfs/dbraw/zinc/90/98/28/587909828.db2.gz DJNYMWARDSCCIP-LLVKDONJSA-N 1 2 325.380 0.471 20 30 ECEDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CC1(C#N)CC1 ZINC000824999184 587909830 /nfs/dbraw/zinc/90/98/30/587909830.db2.gz DJNYMWARDSCCIP-LLVKDONJSA-N 1 2 325.380 0.471 20 30 ECEDLO N#CC[C@]1(O)CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000825709854 587957049 /nfs/dbraw/zinc/95/70/49/587957049.db2.gz UMMMAHYPORMMHD-INIZCTEOSA-N 1 2 326.360 0.827 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2nc(C)c([C@@H]3CCC(=O)N3)c2C)CC1 ZINC000844239477 589104431 /nfs/dbraw/zinc/10/44/31/589104431.db2.gz ZLAFOSSHUPRZCZ-HNNXBMFYSA-N 1 2 343.431 0.228 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCOc3cc(F)c(F)cc32)CC1 ZINC000844476725 589112017 /nfs/dbraw/zinc/11/20/17/589112017.db2.gz LYQGFXAWBCLKDK-UHFFFAOYSA-N 1 2 335.354 0.941 20 30 ECEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)C[C@H](O)c1cccc(C#N)c1 ZINC000846341728 589197203 /nfs/dbraw/zinc/19/72/03/589197203.db2.gz REXFRKVLRGMQTO-INIZCTEOSA-N 1 2 346.431 0.506 20 30 ECEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)C[C@H](O)c1cccc(C#N)c1 ZINC000846341728 589197204 /nfs/dbraw/zinc/19/72/04/589197204.db2.gz REXFRKVLRGMQTO-INIZCTEOSA-N 1 2 346.431 0.506 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cc3oc(=O)[nH]c3cc2F)CC1 ZINC000849318529 589325652 /nfs/dbraw/zinc/32/56/52/589325652.db2.gz OTAZKGFIYFAXBI-UHFFFAOYSA-N 1 2 332.335 0.862 20 30 ECEDLO N#CCC1(COC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000849766346 589349211 /nfs/dbraw/zinc/34/92/11/589349211.db2.gz GGEIWELFHGGMKU-CQSZACIVSA-N 1 2 335.404 0.404 20 30 ECEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000852426239 589495356 /nfs/dbraw/zinc/49/53/56/589495356.db2.gz IKHYNRUQZLHXNS-CYBMUJFWSA-N 1 2 330.450 0.545 20 30 ECEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000852426239 589495357 /nfs/dbraw/zinc/49/53/57/589495357.db2.gz IKHYNRUQZLHXNS-CYBMUJFWSA-N 1 2 330.450 0.545 20 30 ECEDLO C=CCONC(=O)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000854117759 589572014 /nfs/dbraw/zinc/57/20/14/589572014.db2.gz IOMOWOSSAYOCAN-QGZVFWFLSA-N 1 2 335.404 0.667 20 30 ECEDLO C=CCONC(=O)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000854117759 589572015 /nfs/dbraw/zinc/57/20/15/589572015.db2.gz IOMOWOSSAYOCAN-QGZVFWFLSA-N 1 2 335.404 0.667 20 30 ECEDLO Cn1cc(-c2cc3c(nn2)CC[N@H+](CC(=O)NCCC#N)C3)cn1 ZINC000854127405 589572165 /nfs/dbraw/zinc/57/21/65/589572165.db2.gz ABZJOTYLOHXCMH-UHFFFAOYSA-N 1 2 325.376 0.265 20 30 ECEDLO Cn1cc(-c2cc3c(nn2)CC[N@@H+](CC(=O)NCCC#N)C3)cn1 ZINC000854127405 589572166 /nfs/dbraw/zinc/57/21/66/589572166.db2.gz ABZJOTYLOHXCMH-UHFFFAOYSA-N 1 2 325.376 0.265 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CCc2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000112920569 589617474 /nfs/dbraw/zinc/61/74/74/589617474.db2.gz QXPUDBZNJMXKBY-UHFFFAOYSA-N 1 2 349.456 0.305 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)NCC=C)cc2)CC1 ZINC000112920899 589617786 /nfs/dbraw/zinc/61/77/86/589617786.db2.gz JJQHQLRIBKMYFC-UHFFFAOYSA-N 1 2 347.440 0.542 20 30 ECEDLO Cn1c(C#N)ccc1C(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000856615718 589668928 /nfs/dbraw/zinc/66/89/28/589668928.db2.gz YVHNYQGWCRSBLC-LSDHHAIUSA-N 1 2 337.383 0.887 20 30 ECEDLO Cn1cc(C=NNC(=S)NCC[NH+]2CCOCC2)c(Cl)n1 ZINC000857205621 589689633 /nfs/dbraw/zinc/68/96/33/589689633.db2.gz GDCKOIPQEXOVPX-UHFFFAOYSA-N 1 2 330.845 0.204 20 30 ECEDLO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCn3c[nH+]cc32)cc1 ZINC000857988155 589720936 /nfs/dbraw/zinc/72/09/36/589720936.db2.gz GNSITHNUFZTXLP-AWEZNQCLSA-N 1 2 344.396 0.669 20 30 ECEDLO C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCn3c[nH+]cc32)c1 ZINC000857989040 589721683 /nfs/dbraw/zinc/72/16/83/589721683.db2.gz NGNTWYIXAGQBBZ-AWEZNQCLSA-N 1 2 344.396 0.669 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCn3c[nH+]cc32)cc1 ZINC000857989226 589721711 /nfs/dbraw/zinc/72/17/11/589721711.db2.gz FWVGZIKCUDZLCS-ZDUSSCGKSA-N 1 2 345.384 0.294 20 30 ECEDLO CC(C)[C@H](NC=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000858154196 589727402 /nfs/dbraw/zinc/72/74/02/589727402.db2.gz AAYWVBYKCKXZBL-KRWDZBQOSA-N 1 2 328.416 0.973 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000859028447 589794104 /nfs/dbraw/zinc/79/41/04/589794104.db2.gz PVVJXUMEUHMAAI-ZFWWWQNUSA-N 1 2 336.436 0.019 20 30 ECEDLO C#CCn1ccc(CN(CCOC)C(=O)/C=C/C[NH+]2CCOCC2)n1 ZINC000867928499 589863777 /nfs/dbraw/zinc/86/37/77/589863777.db2.gz FGQMBRPWBIRJES-SNAWJCMRSA-N 1 2 346.431 0.380 20 30 ECEDLO C#C[C@@H](CO)NC(=O)c1ccc(NCC[NH+]2CCOCC2)c(F)c1 ZINC000868673049 589920252 /nfs/dbraw/zinc/92/02/52/589920252.db2.gz SEKZBWSIUXKSOE-AWEZNQCLSA-N 1 2 335.379 0.294 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000862196165 589930442 /nfs/dbraw/zinc/93/04/42/589930442.db2.gz FLDXAYVVDFHPGC-ZDUSSCGKSA-N 1 2 328.372 0.975 20 30 ECEDLO Cn1nc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)cc1Cl ZINC000863339921 590006503 /nfs/dbraw/zinc/00/65/03/590006503.db2.gz GSZNZJHFVTWEDV-UHFFFAOYSA-N 1 2 347.806 0.987 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2cccnc2Cl)CC1 ZINC000865177636 590130012 /nfs/dbraw/zinc/13/00/12/590130012.db2.gz GCTNMCPVMJPUNK-UHFFFAOYSA-N 1 2 348.834 0.561 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2cccnc2Cl)CC1 ZINC000865177636 590130014 /nfs/dbraw/zinc/13/00/14/590130014.db2.gz GCTNMCPVMJPUNK-UHFFFAOYSA-N 1 2 348.834 0.561 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CC1 ZINC000865796698 590157970 /nfs/dbraw/zinc/15/79/70/590157970.db2.gz ZVDUSVLPKOQLOP-CYBMUJFWSA-N 1 2 325.409 0.040 20 30 ECEDLO N#C[C@@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CCN1Cc1ccccc1 ZINC000865885971 590160812 /nfs/dbraw/zinc/16/08/12/590160812.db2.gz WAKZJICZRCUHLY-GDBMZVCRSA-N 1 2 325.372 0.680 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2(OC(C)C)CCC2)CC1 ZINC000874382443 590236987 /nfs/dbraw/zinc/23/69/87/590236987.db2.gz DMZAKWQIOXDVND-UHFFFAOYSA-N 1 2 335.448 0.618 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(OC(C)C)CCC2)CC1 ZINC000874382443 590236988 /nfs/dbraw/zinc/23/69/88/590236988.db2.gz DMZAKWQIOXDVND-UHFFFAOYSA-N 1 2 335.448 0.618 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccn(CC)c2C)CC1 ZINC000874383425 590237165 /nfs/dbraw/zinc/23/71/65/590237165.db2.gz XDFPVJRUKXQBEQ-UHFFFAOYSA-N 1 2 330.432 0.714 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccn(CC)c2C)CC1 ZINC000874383425 590237166 /nfs/dbraw/zinc/23/71/66/590237166.db2.gz XDFPVJRUKXQBEQ-UHFFFAOYSA-N 1 2 330.432 0.714 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000875022211 590263369 /nfs/dbraw/zinc/26/33/69/590263369.db2.gz HACLDZNCLFBLHV-CQSZACIVSA-N 1 2 328.372 0.148 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000875227899 590284384 /nfs/dbraw/zinc/28/43/84/590284384.db2.gz OVZSLLOMGULNPL-OAHLLOKOSA-N 1 2 342.399 0.456 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000875595613 590311919 /nfs/dbraw/zinc/31/19/19/590311919.db2.gz ARGDKOFQJRGTCE-OAHLLOKOSA-N 1 2 344.415 0.405 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000875599740 590312988 /nfs/dbraw/zinc/31/29/88/590312988.db2.gz MCLKPLKBZFVYIV-KGLIPLIRSA-N 1 2 332.404 0.660 20 30 ECEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]3OCCNC(=O)[C@H]32)cc1 ZINC000879716571 590336646 /nfs/dbraw/zinc/33/66/46/590336646.db2.gz OGWDZUAKKMJKJA-PVAVHDDUSA-N 1 2 345.399 0.277 20 30 ECEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]3OCCNC(=O)[C@H]32)cc1 ZINC000879716571 590336649 /nfs/dbraw/zinc/33/66/49/590336649.db2.gz OGWDZUAKKMJKJA-PVAVHDDUSA-N 1 2 345.399 0.277 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000875919580 590346347 /nfs/dbraw/zinc/34/63/47/590346347.db2.gz LSJHZOLIVHTMIM-HNNXBMFYSA-N 1 2 333.436 0.676 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000875928313 590347219 /nfs/dbraw/zinc/34/72/19/590347219.db2.gz PRAFPCQEKIUIFA-HRCADAONSA-N 1 2 344.415 0.585 20 30 ECEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC000879929633 590351232 /nfs/dbraw/zinc/35/12/32/590351232.db2.gz JRBRITHKMMNCHD-HOTGVXAUSA-N 1 2 347.440 0.541 20 30 ECEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC000879929633 590351235 /nfs/dbraw/zinc/35/12/35/590351235.db2.gz JRBRITHKMMNCHD-HOTGVXAUSA-N 1 2 347.440 0.541 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000880017397 590361438 /nfs/dbraw/zinc/36/14/38/590361438.db2.gz KYYHBYGMNJCAJL-IYBDPMFKSA-N 1 2 326.462 0.944 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000880017397 590361439 /nfs/dbraw/zinc/36/14/39/590361439.db2.gz KYYHBYGMNJCAJL-IYBDPMFKSA-N 1 2 326.462 0.944 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CCN2c3ccccc3O[C@@H](C)C2=O)CC1 ZINC000128320229 590379376 /nfs/dbraw/zinc/37/93/76/590379376.db2.gz AEQWFGDLNKAUJW-HNNXBMFYSA-N 1 2 341.411 0.968 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CC[C@](OC)(C(F)(F)F)C2)CC1 ZINC000880302548 590382376 /nfs/dbraw/zinc/38/23/76/590382376.db2.gz HGDDMHXPAAQARU-CQSZACIVSA-N 1 2 333.354 0.417 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@](OC)(C(F)(F)F)C2)CC1 ZINC000880302548 590382380 /nfs/dbraw/zinc/38/23/80/590382380.db2.gz HGDDMHXPAAQARU-CQSZACIVSA-N 1 2 333.354 0.417 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)CC1 ZINC000128383774 590386796 /nfs/dbraw/zinc/38/67/96/590386796.db2.gz CBZOKZUBLCIENM-UHFFFAOYSA-N 1 2 336.395 0.683 20 30 ECEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cn2cc(Cl)cn2)c1=O ZINC000882173099 590524136 /nfs/dbraw/zinc/52/41/36/590524136.db2.gz ZEPAQAAJABBSJS-UHFFFAOYSA-N 1 2 333.779 0.908 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@@](C)(CO)Oc3ccccc32)CC1 ZINC000879339224 590580588 /nfs/dbraw/zinc/58/05/88/590580588.db2.gz FGMHPWLKSLRXNJ-IBGZPJMESA-N 1 2 343.427 0.414 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)c[nH+]1 ZINC000885310923 590713573 /nfs/dbraw/zinc/71/35/73/590713573.db2.gz LFMMHFFSVNXZAL-DOMZBBRYSA-N 1 2 336.417 0.323 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000884054203 590722602 /nfs/dbraw/zinc/72/26/02/590722602.db2.gz VASTXTYWLQFFTG-OLZOCXBDSA-N 1 2 334.372 0.731 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)C2(C(=O)OCC)CCC2)C1 ZINC000885508675 590729386 /nfs/dbraw/zinc/72/93/86/590729386.db2.gz JMZMHNMOBJKQIX-CYBMUJFWSA-N 1 2 328.434 0.489 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)C2(C(=O)OCC)CCC2)C1 ZINC000885508675 590729387 /nfs/dbraw/zinc/72/93/87/590729387.db2.gz JMZMHNMOBJKQIX-CYBMUJFWSA-N 1 2 328.434 0.489 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC000885512408 590729823 /nfs/dbraw/zinc/72/98/23/590729823.db2.gz VRTKEDBSFUJJKQ-LLVKDONJSA-N 1 2 332.376 0.524 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC000885512408 590729827 /nfs/dbraw/zinc/72/98/27/590729827.db2.gz VRTKEDBSFUJJKQ-LLVKDONJSA-N 1 2 332.376 0.524 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)N1CCN(c2nc(N)[nH+]c(C3CC3)n2)CC1 ZINC000887620588 590981656 /nfs/dbraw/zinc/98/16/56/590981656.db2.gz JASDKIMCIYTIGP-LBPRGKRZSA-N 1 2 346.435 0.961 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)N1CCN(c2nc(N)nc(C3CC3)[nH+]2)CC1 ZINC000887620588 590981660 /nfs/dbraw/zinc/98/16/60/590981660.db2.gz JASDKIMCIYTIGP-LBPRGKRZSA-N 1 2 346.435 0.961 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000948102377 611428445 /nfs/dbraw/zinc/42/84/45/611428445.db2.gz KLCCASYWSUAGCF-CHWSQXEVSA-N 1 2 329.404 0.712 20 30 ECEDLO N#CC[C@@H](O)CN1CC[N@H+](C[C@H](O)CC#N)C[C@H]1c1ccccc1 ZINC000930673913 611453344 /nfs/dbraw/zinc/45/33/44/611453344.db2.gz JQHGBVHYFXIBKK-KURKYZTESA-N 1 2 328.416 0.894 20 30 ECEDLO N#CC[C@@H](O)CN1CC[N@@H+](C[C@H](O)CC#N)C[C@H]1c1ccccc1 ZINC000930673913 611453347 /nfs/dbraw/zinc/45/33/47/611453347.db2.gz JQHGBVHYFXIBKK-KURKYZTESA-N 1 2 328.416 0.894 20 30 ECEDLO N#CC[C@@H](O)CN1CC[N@H+](C[C@H](O)CC#N)[C@H](c2ccccc2)C1 ZINC000930673913 611453350 /nfs/dbraw/zinc/45/33/50/611453350.db2.gz JQHGBVHYFXIBKK-KURKYZTESA-N 1 2 328.416 0.894 20 30 ECEDLO N#CC[C@@H](O)CN1CC[N@@H+](C[C@H](O)CC#N)[C@H](c2ccccc2)C1 ZINC000930673913 611453353 /nfs/dbraw/zinc/45/33/53/611453353.db2.gz JQHGBVHYFXIBKK-KURKYZTESA-N 1 2 328.416 0.894 20 30 ECEDLO C#CC[C@@H]1NC(=O)N(C[C@H]2CN(C)CC[N@@H+]2Cc2ccccc2)C1=O ZINC000925371833 611475622 /nfs/dbraw/zinc/47/56/22/611475622.db2.gz QUTBIZKQZPDGJV-SJORKVTESA-N 1 2 340.427 0.746 20 30 ECEDLO C#CC[C@@H]1NC(=O)N(C[C@H]2CN(C)CC[N@H+]2Cc2ccccc2)C1=O ZINC000925371833 611475624 /nfs/dbraw/zinc/47/56/24/611475624.db2.gz QUTBIZKQZPDGJV-SJORKVTESA-N 1 2 340.427 0.746 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCC[N@H+](Cc2nnnn2C)CC1 ZINC000948283391 611500969 /nfs/dbraw/zinc/50/09/69/611500969.db2.gz VEDWMWWEZRMKPS-ZDUSSCGKSA-N 1 2 342.407 0.537 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCC[N@@H+](Cc2nnnn2C)CC1 ZINC000948283391 611500972 /nfs/dbraw/zinc/50/09/72/611500972.db2.gz VEDWMWWEZRMKPS-ZDUSSCGKSA-N 1 2 342.407 0.537 20 30 ECEDLO C#CC1(O)CC[NH+]([C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000931147207 611511545 /nfs/dbraw/zinc/51/15/45/611511545.db2.gz WQICSIKOGIFJFK-ZDUSSCGKSA-N 1 2 327.384 0.820 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000932039757 611594850 /nfs/dbraw/zinc/59/48/50/611594850.db2.gz VRFQMHDDUXILAX-DLBZAZTESA-N 1 2 349.475 0.721 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000932039757 611594852 /nfs/dbraw/zinc/59/48/52/611594852.db2.gz VRFQMHDDUXILAX-DLBZAZTESA-N 1 2 349.475 0.721 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000932038956 611594912 /nfs/dbraw/zinc/59/49/12/611594912.db2.gz PGHGSYDRSHPBPK-SJORKVTESA-N 1 2 347.459 0.618 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000932038956 611594915 /nfs/dbraw/zinc/59/49/15/611594915.db2.gz PGHGSYDRSHPBPK-SJORKVTESA-N 1 2 347.459 0.618 20 30 ECEDLO N#C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCN1C1CC1 ZINC000932603437 611642415 /nfs/dbraw/zinc/64/24/15/611642415.db2.gz VMKOCVDBMYYYEO-ZACQAIPSSA-N 1 2 348.447 0.065 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@](CO)(NC(=O)OC(C)(C)C)C1 ZINC000932696708 611656895 /nfs/dbraw/zinc/65/68/95/611656895.db2.gz WUAHBCOOGFZVRB-CXAGYDPISA-N 1 2 339.436 0.476 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@](CO)(NC(=O)OC(C)(C)C)C1 ZINC000932696708 611656897 /nfs/dbraw/zinc/65/68/97/611656897.db2.gz WUAHBCOOGFZVRB-CXAGYDPISA-N 1 2 339.436 0.476 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000937198513 609035037 /nfs/dbraw/zinc/03/50/37/609035037.db2.gz ZSWYYFMXDBXGAD-CQSZACIVSA-N 1 2 340.387 0.834 20 30 ECEDLO C/C(=C/C(=O)NCc1ccc(C(=O)NO)cc1)C[NH+]1CCOCC1 ZINC000907812098 609623672 /nfs/dbraw/zinc/62/36/72/609623672.db2.gz IYZSHGDUKKWZMP-RAXLEYEMSA-N 1 2 333.388 0.700 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3cccnn3)n2CCOC)CC1 ZINC000909166577 609683502 /nfs/dbraw/zinc/68/35/02/609683502.db2.gz KJGCAHGWFPITQI-UHFFFAOYSA-N 1 2 327.392 0.137 20 30 ECEDLO C[NH+](C)[C@@H](C(=O)NCCNC(=O)C1N=CC=CC1=O)c1ccccc1 ZINC000171760217 609763985 /nfs/dbraw/zinc/76/39/85/609763985.db2.gz FTCMFYRRWFCXHX-CFBLSMTOSA-N 1 2 342.399 0.932 20 30 ECEDLO CN1CC[C@@H]([NH+]2CCC(NS(=O)(=O)CC(C)(C)C#N)CC2)C1=O ZINC000916582485 609943028 /nfs/dbraw/zinc/94/30/28/609943028.db2.gz MKIQHERQTBDFBS-CYBMUJFWSA-N 1 2 342.465 0.151 20 30 ECEDLO C#CC[C@@H](CO)NC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000918009257 609992344 /nfs/dbraw/zinc/99/23/44/609992344.db2.gz BQYDRDSEOHEAQP-ROUUACIJSA-N 1 2 345.443 0.613 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)cn1 ZINC000938779843 609995214 /nfs/dbraw/zinc/99/52/14/609995214.db2.gz JDXLAVLSXAYLDM-INIZCTEOSA-N 1 2 337.383 0.633 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)COc3ccc(F)cc3F)CC2)C1 ZINC000941427825 610301340 /nfs/dbraw/zinc/30/13/40/610301340.db2.gz HWFSUXUUJIMAEA-UHFFFAOYSA-N 1 2 349.381 0.805 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnc([C@@H](C)OC)s3)CC2)C1 ZINC000941411047 610301925 /nfs/dbraw/zinc/30/19/25/610301925.db2.gz SLLUBMMUWWAYJM-CYBMUJFWSA-N 1 2 348.472 0.926 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCc4n[nH]cc43)CC2)C1 ZINC000941411072 610302062 /nfs/dbraw/zinc/30/20/62/610302062.db2.gz UPAUFQRSRZMBCZ-MRXNPFEDSA-N 1 2 341.459 0.681 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnc(OC(C)C)cn3)CC2)C1 ZINC000941411040 610302102 /nfs/dbraw/zinc/30/21/02/610302102.db2.gz SIONTJPXWLBZGP-UHFFFAOYSA-N 1 2 343.431 0.339 20 30 ECEDLO C#CCN1CC(N2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)CC2)C1 ZINC000941417031 610304475 /nfs/dbraw/zinc/30/44/75/610304475.db2.gz UGTJMHXEUFAJQB-UHFFFAOYSA-N 1 2 341.459 0.224 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)Cn3ccc(C)n3)CC2)C1 ZINC000941422224 610307781 /nfs/dbraw/zinc/30/77/81/610307781.db2.gz IZQYMLDOJFIALW-MRXNPFEDSA-N 1 2 343.475 0.679 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)CC2)C1 ZINC000941496002 610342929 /nfs/dbraw/zinc/34/29/29/610342929.db2.gz MTNBTZHYMAKGOQ-MSOLQXFVSA-N 1 2 331.460 0.653 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C[C@H](C)n3ccc(C)n3)CC2)C1 ZINC000941513423 610352346 /nfs/dbraw/zinc/35/23/46/610352346.db2.gz BYOMCNPXKANLNG-KRWDZBQOSA-N 1 2 343.475 0.994 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cncc(OC(C)C)c3)CC2)C1 ZINC000941513680 610352690 /nfs/dbraw/zinc/35/26/90/610352690.db2.gz NMMVXGBXIAVMER-UHFFFAOYSA-N 1 2 342.443 0.944 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC(=O)N3C(C)C)CC2)C1 ZINC000941531613 610362938 /nfs/dbraw/zinc/36/29/38/610362938.db2.gz AXBQJVXSWIYCNX-KRWDZBQOSA-N 1 2 346.475 0.238 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnc4n3CCCC4)CC2)C1 ZINC000941532500 610364022 /nfs/dbraw/zinc/36/40/22/610364022.db2.gz ZECCXTBRZGRZEG-UHFFFAOYSA-N 1 2 327.432 0.295 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3oc(C4CC4)nc3C)CC2)C1 ZINC000941600177 610401242 /nfs/dbraw/zinc/40/12/42/610401242.db2.gz WYMCUZYBHDZRBP-UHFFFAOYSA-N 1 2 328.416 0.936 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cn(C)nc3C(C)(C)C)CC2)C1 ZINC000941607228 610405138 /nfs/dbraw/zinc/40/51/38/610405138.db2.gz LLWXUYWEYKHWQR-UHFFFAOYSA-N 1 2 343.475 0.793 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](OC)c3ccc(F)cc3)CC2)C1 ZINC000941679246 610452176 /nfs/dbraw/zinc/45/21/76/610452176.db2.gz WWNCFHGRNHCXEY-SFHVURJKSA-N 1 2 345.418 0.975 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000942450660 610466612 /nfs/dbraw/zinc/46/66/12/610466612.db2.gz SZHRPUUHVFTTON-BMFZPTHFSA-N 1 2 346.431 0.661 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCCN(C(=O)Cc3[nH]cc[nH+]3)CC2)nc1 ZINC000941775976 610498617 /nfs/dbraw/zinc/49/86/17/610498617.db2.gz DONZGRKWVDMTMV-UHFFFAOYSA-N 1 2 337.383 0.703 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)nc1 ZINC000941930544 610568360 /nfs/dbraw/zinc/56/83/60/610568360.db2.gz MCPXWKVIWOGJOZ-CQSZACIVSA-N 1 2 337.383 0.668 20 30 ECEDLO C[C@H]1C[N@H+](Cc2ncnn2C)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941931486 610569073 /nfs/dbraw/zinc/56/90/73/610569073.db2.gz ZKCDHDPQBYSCLL-WCQYABFASA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@H]1C[N@@H+](Cc2ncnn2C)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941931486 610569075 /nfs/dbraw/zinc/56/90/75/610569075.db2.gz ZKCDHDPQBYSCLL-WCQYABFASA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000941290582 610644595 /nfs/dbraw/zinc/64/45/95/610644595.db2.gz JJHNWDOZZLYAAY-AWEZNQCLSA-N 1 2 343.431 0.982 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cn(C)nc3C3CC3)CC2)C1 ZINC000941424556 610724631 /nfs/dbraw/zinc/72/46/31/610724631.db2.gz PUZKDJWGVFSGDL-UHFFFAOYSA-N 1 2 341.459 0.763 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC000944417860 610858463 /nfs/dbraw/zinc/85/84/63/610858463.db2.gz YUIGNKIIWPGTLW-CQSZACIVSA-N 1 2 329.404 0.884 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC000944670518 611072371 /nfs/dbraw/zinc/07/23/71/611072371.db2.gz OMXIPPWBNFJGQU-QWHCGFSZSA-N 1 2 341.371 0.451 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CCC[C@H]2NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000946290622 611198699 /nfs/dbraw/zinc/19/86/99/611198699.db2.gz GASFHKDSTQEPFU-CHWSQXEVSA-N 1 2 340.387 0.867 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC000946023988 611199833 /nfs/dbraw/zinc/19/98/33/611199833.db2.gz CKCFWEAEWHPSHW-HUUCEWRRSA-N 1 2 326.400 0.815 20 30 ECEDLO C[C@]1(C#N)CN(CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000933598209 611735360 /nfs/dbraw/zinc/73/53/60/611735360.db2.gz HXVFILMNYOTRPU-SFHVURJKSA-N 1 2 343.431 0.735 20 30 ECEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933651760 611738660 /nfs/dbraw/zinc/73/86/60/611738660.db2.gz AVOLTBAKQHAONZ-UHFFFAOYSA-N 1 2 330.388 0.980 20 30 ECEDLO N#CC[C@@H](O)C[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000929240612 611739266 /nfs/dbraw/zinc/73/92/66/611739266.db2.gz PCRQMKUUBXWTRH-CYBMUJFWSA-N 1 2 333.417 0.148 20 30 ECEDLO CCN(C(=O)c1cc(C#N)c[nH]1)C1C[NH+](C[C@@H]2CCc3ncnn32)C1 ZINC000949854339 611783433 /nfs/dbraw/zinc/78/34/33/611783433.db2.gz NGOVXSMSOIWXKA-ZDUSSCGKSA-N 1 2 339.403 0.812 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)Cc1c[nH+]cn1C ZINC000950213966 611906983 /nfs/dbraw/zinc/90/69/83/611906983.db2.gz FEUMBXFPLOFTGL-QRTARXTBSA-N 1 2 346.431 0.661 20 30 ECEDLO CC(C)(C(=O)N1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1)c1c[nH+]c[nH]1 ZINC000949283267 611927902 /nfs/dbraw/zinc/92/79/02/611927902.db2.gz KEPOBXINWSNHPI-LBPRGKRZSA-N 1 2 340.387 0.918 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000950321109 611969703 /nfs/dbraw/zinc/96/97/03/611969703.db2.gz XBWNFWPOXCQBSR-LBPRGKRZSA-N 1 2 326.360 0.573 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C(=O)Nc3cc(C)on3)CC2)C1 ZINC000949523589 612019597 /nfs/dbraw/zinc/01/95/97/612019597.db2.gz UKPVHNFCMBZBJT-UHFFFAOYSA-N 1 2 346.387 0.248 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C(=O)Nc3cc(C)on3)CC2)C1 ZINC000949523589 612019598 /nfs/dbraw/zinc/01/95/98/612019598.db2.gz UKPVHNFCMBZBJT-UHFFFAOYSA-N 1 2 346.387 0.248 20 30 ECEDLO N#Cc1cc(C(=O)N2CCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c[nH]1 ZINC000950517868 612049791 /nfs/dbraw/zinc/04/97/91/612049791.db2.gz UQQWEDDOFOIVPG-GFCCVEGCSA-N 1 2 326.360 0.573 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000952941125 612132496 /nfs/dbraw/zinc/13/24/96/612132496.db2.gz IBMGBFXNFWGFLF-DYVFJYSZSA-N 1 2 329.404 0.953 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC000952944920 612134876 /nfs/dbraw/zinc/13/48/76/612134876.db2.gz NMSJFUKPTJLKHL-RDTXWAMCSA-N 1 2 343.431 0.963 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC000952946200 612135544 /nfs/dbraw/zinc/13/55/44/612135544.db2.gz KGTZVIUIMCTNBC-GUYCJALGSA-N 1 2 329.404 0.953 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC000951957491 612152756 /nfs/dbraw/zinc/15/27/56/612152756.db2.gz BLLQFCWPQXKJTR-HNNXBMFYSA-N 1 2 337.383 0.750 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000953330277 612251892 /nfs/dbraw/zinc/25/18/92/612251892.db2.gz GELZBHIOSNGNBK-GOEBONIOSA-N 1 2 326.400 0.815 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CCn1cc[nH+]c1 ZINC000952177342 612265357 /nfs/dbraw/zinc/26/53/57/612265357.db2.gz AHOWFHRIZTZQON-KFWWJZLASA-N 1 2 332.404 0.581 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)nc1 ZINC000951495204 612269330 /nfs/dbraw/zinc/26/93/30/612269330.db2.gz WJTQJQKKMDLJDP-CQSZACIVSA-N 1 2 337.383 0.750 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[NH+](C[C@@H]3CCc4ncnn43)CC2)nn1 ZINC000951559649 612344165 /nfs/dbraw/zinc/34/41/65/612344165.db2.gz GOSQUVSQTDWPCS-ZDUSSCGKSA-N 1 2 342.407 0.001 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000955627083 612714542 /nfs/dbraw/zinc/71/45/42/612714542.db2.gz JYBUJZGGHAWSBV-NEPJUHHUSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000955631508 612719910 /nfs/dbraw/zinc/71/99/10/612719910.db2.gz XEQTWQQAASXCLY-RYUDHWBXSA-N 1 2 340.387 0.961 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)Cc3c[nH+]cn3C)C2)cc1 ZINC000954838067 612732393 /nfs/dbraw/zinc/73/23/93/612732393.db2.gz GOUSGJKHWONSIV-UHFFFAOYSA-N 1 2 336.395 0.927 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CCCN2C(=O)Cc2[nH]cc[nH+]2)c[nH]1 ZINC000956178819 612761997 /nfs/dbraw/zinc/76/19/97/612761997.db2.gz ITRPNSZVIFZNBO-ZDUSSCGKSA-N 1 2 326.360 0.573 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000954395101 612889494 /nfs/dbraw/zinc/88/94/94/612889494.db2.gz WGZYCWJWDGLBLK-HOCLYGCPSA-N 1 2 332.404 0.534 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000954394564 612889529 /nfs/dbraw/zinc/88/95/29/612889529.db2.gz MMUNRTGBJWRJHO-RDJZCZTQSA-N 1 2 346.431 0.924 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)OC)C2)CC1 ZINC000956598737 612922750 /nfs/dbraw/zinc/92/27/50/612922750.db2.gz GXODWVGCTSGQRN-GJZGRUSLSA-N 1 2 337.464 0.979 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)CC(C)(F)F)CC2)C1 ZINC000956603574 612924291 /nfs/dbraw/zinc/92/42/91/612924291.db2.gz CMRGMUSSMDUWOO-OLZOCXBDSA-N 1 2 342.390 0.936 20 30 ECEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cncc(C#N)n1 ZINC001164697989 719844822 /nfs/dbraw/zinc/84/48/22/719844822.db2.gz DDOZQZKIGQHVQS-WMLDXEAASA-N 1 2 345.403 0.581 20 30 ECEDLO N#Cc1cc(C(=O)N2C[C@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@H]32)c[nH]1 ZINC000971872592 735291149 /nfs/dbraw/zinc/29/11/49/735291149.db2.gz CHIKSGZGOAHLKK-IUODEOHRSA-N 1 2 338.371 0.456 20 30 ECEDLO CN(C[C@@H](O)CN(C)c1ccncc1C#N)C(=O)Cc1c[nH+]c[nH]1 ZINC001125299612 731920057 /nfs/dbraw/zinc/92/00/57/731920057.db2.gz SJJSOMSWQSQYBB-AWEZNQCLSA-N 1 2 328.376 0.175 20 30 ECEDLO CC(C)C#CC(=O)N1CC[C@@H]([NH+]2CCN(c3cc(F)ncn3)CC2)C1 ZINC001111965243 738564355 /nfs/dbraw/zinc/56/43/55/738564355.db2.gz VNBRPRFNJLNAOT-OAHLLOKOSA-N 1 2 345.422 0.998 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([NH2+]Cc3nc(CC(=O)NC)no3)C2)C1 ZINC000969883143 732479188 /nfs/dbraw/zinc/47/91/88/732479188.db2.gz NNYKKGMDFPKYCA-GFCCVEGCSA-N 1 2 347.419 0.405 20 30 ECEDLO COc1ccc(C[NH+]2CC([C@@H](C)NC(=O)c3cn[nH]n3)C2)cc1C#N ZINC000970023521 732637718 /nfs/dbraw/zinc/63/77/18/732637718.db2.gz IWCGRBNAUAKDBL-LLVKDONJSA-N 1 2 340.387 0.935 20 30 ECEDLO COc1ccc(C[NH+]2CC([C@@H](C)NC(=O)c3cnn[nH]3)C2)cc1C#N ZINC000970023521 732637720 /nfs/dbraw/zinc/63/77/20/732637720.db2.gz IWCGRBNAUAKDBL-LLVKDONJSA-N 1 2 340.387 0.935 20 30 ECEDLO C[C@@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)CNc1ccnc(C#N)n1 ZINC001104234294 732920534 /nfs/dbraw/zinc/92/05/34/732920534.db2.gz UAJVBZCRNSOFLI-VXGBXAGGSA-N 1 2 327.392 0.536 20 30 ECEDLO C[C@@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)CNc1ccnc(C#N)n1 ZINC001104234294 732920535 /nfs/dbraw/zinc/92/05/35/732920535.db2.gz UAJVBZCRNSOFLI-VXGBXAGGSA-N 1 2 327.392 0.536 20 30 ECEDLO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(c1[nH+]c(C)ccc1CC#N)C2 ZINC001167197530 733046255 /nfs/dbraw/zinc/04/62/55/733046255.db2.gz JLMDLKMHZRWFNE-ZDUSSCGKSA-N 1 2 349.412 0.623 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2sc(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001069985789 790280272 /nfs/dbraw/zinc/28/02/72/790280272.db2.gz IYZINGHQCIWDRS-KGLIPLIRSA-N 1 2 344.444 0.569 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2sc(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001069985789 790280277 /nfs/dbraw/zinc/28/02/77/790280277.db2.gz IYZINGHQCIWDRS-KGLIPLIRSA-N 1 2 344.444 0.569 20 30 ECEDLO N#Cc1nccnc1NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001111583813 733973032 /nfs/dbraw/zinc/97/30/32/733973032.db2.gz QFQFPJQLRUXGBX-VXGBXAGGSA-N 1 2 341.375 0.108 20 30 ECEDLO N#Cc1nccnc1NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001111583813 733973035 /nfs/dbraw/zinc/97/30/35/733973035.db2.gz QFQFPJQLRUXGBX-VXGBXAGGSA-N 1 2 341.375 0.108 20 30 ECEDLO CCc1nc(N2CCO[C@H](CNC(=O)CSCC#N)C2)cc(C)[nH+]1 ZINC001104293440 734012662 /nfs/dbraw/zinc/01/26/62/734012662.db2.gz USEWGSRBFDYMHA-CYBMUJFWSA-N 1 2 349.460 0.926 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CN(c2cc(C)[nH+]c(CC)n2)CCO1 ZINC001104329773 734371319 /nfs/dbraw/zinc/37/13/19/734371319.db2.gz AHYIDLNUFLWVEQ-GJZGRUSLSA-N 1 2 346.431 0.707 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(N4CCCC4)nc3)[C@H]2C1 ZINC001083224660 735071927 /nfs/dbraw/zinc/07/19/27/735071927.db2.gz LAZKQYDXJSZGDG-DLBZAZTESA-N 1 2 340.427 0.840 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(N4CCCC4)nc3)[C@H]2C1 ZINC001083224660 735071928 /nfs/dbraw/zinc/07/19/28/735071928.db2.gz LAZKQYDXJSZGDG-DLBZAZTESA-N 1 2 340.427 0.840 20 30 ECEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC000971813327 735112607 /nfs/dbraw/zinc/11/26/07/735112607.db2.gz JOZYUMKWACJSBZ-LLVKDONJSA-N 1 2 347.824 0.826 20 30 ECEDLO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC000971813327 735112609 /nfs/dbraw/zinc/11/26/09/735112609.db2.gz JOZYUMKWACJSBZ-LLVKDONJSA-N 1 2 347.824 0.826 20 30 ECEDLO CC#CC[NH+]1CCC2(CC1)CN(C(=O)CS(C)(=O)=O)C[C@H](C)O2 ZINC001098567324 735913267 /nfs/dbraw/zinc/91/32/67/735913267.db2.gz IGZZUJKDTZUPNO-AWEZNQCLSA-N 1 2 342.461 0.136 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CN3CCCCCCC3=O)C2)C1 ZINC000972404871 736128933 /nfs/dbraw/zinc/12/89/33/736128933.db2.gz AIOLQCBUPMPRBK-LJQANCHMSA-N 1 2 347.459 0.716 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CN3CCCCCCC3=O)C2)C1 ZINC000972404871 736128936 /nfs/dbraw/zinc/12/89/36/736128936.db2.gz AIOLQCBUPMPRBK-LJQANCHMSA-N 1 2 347.459 0.716 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCn3ccccc3=O)C2)C1 ZINC000972406996 736134940 /nfs/dbraw/zinc/13/49/40/736134940.db2.gz JJSHWFNUGGDEPG-SFHVURJKSA-N 1 2 329.400 0.175 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCn3ccccc3=O)C2)C1 ZINC000972406996 736134945 /nfs/dbraw/zinc/13/49/45/736134945.db2.gz JJSHWFNUGGDEPG-SFHVURJKSA-N 1 2 329.400 0.175 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(=O)N(CC(C)C)C3)C2)C1 ZINC000972408418 736145135 /nfs/dbraw/zinc/14/51/35/736145135.db2.gz ODANXNMNQFYEHQ-APWZRJJASA-N 1 2 349.475 0.980 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(=O)N(CC(C)C)C3)C2)C1 ZINC000972408418 736145137 /nfs/dbraw/zinc/14/51/37/736145137.db2.gz ODANXNMNQFYEHQ-APWZRJJASA-N 1 2 349.475 0.980 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc4n3CCOC4)C2)C1 ZINC000972421766 736165861 /nfs/dbraw/zinc/16/58/61/736165861.db2.gz JOURYANWOKVEPD-GOSISDBHSA-N 1 2 344.415 0.354 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc4n3CCOC4)C2)C1 ZINC000972421766 736165864 /nfs/dbraw/zinc/16/58/64/736165864.db2.gz JOURYANWOKVEPD-GOSISDBHSA-N 1 2 344.415 0.354 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C2)C1 ZINC000972455840 736244143 /nfs/dbraw/zinc/24/41/43/736244143.db2.gz LACNBWXABIDAER-PBHICJAKSA-N 1 2 336.436 0.266 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C2)C1 ZINC000972455840 736244146 /nfs/dbraw/zinc/24/41/46/736244146.db2.gz LACNBWXABIDAER-PBHICJAKSA-N 1 2 336.436 0.266 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(OC)n(C)n3)C2)C1 ZINC000972460059 736255094 /nfs/dbraw/zinc/25/50/94/736255094.db2.gz BJNKYROIRXZEMO-QGZVFWFLSA-N 1 2 332.404 0.369 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(OC)n(C)n3)C2)C1 ZINC000972460059 736255096 /nfs/dbraw/zinc/25/50/96/736255096.db2.gz BJNKYROIRXZEMO-QGZVFWFLSA-N 1 2 332.404 0.369 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)c(C)n[nH]c3=O)C2)C1 ZINC000972492047 736376745 /nfs/dbraw/zinc/37/67/45/736376745.db2.gz HIBZHAQJLMCFIG-SFHVURJKSA-N 1 2 344.415 0.739 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)c(C)n[nH]c3=O)C2)C1 ZINC000972492047 736376748 /nfs/dbraw/zinc/37/67/48/736376748.db2.gz HIBZHAQJLMCFIG-SFHVURJKSA-N 1 2 344.415 0.739 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(OC)cc3OC)[C@H]2C1 ZINC001083257468 736472409 /nfs/dbraw/zinc/47/24/09/736472409.db2.gz BXNJHWIAZWXWQA-DOTOQJQBSA-N 1 2 330.384 0.862 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(OC)cc3OC)[C@H]2C1 ZINC001083257468 736472413 /nfs/dbraw/zinc/47/24/13/736472413.db2.gz BXNJHWIAZWXWQA-DOTOQJQBSA-N 1 2 330.384 0.862 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCc4nn[nH]c43)C2)C1 ZINC000972525068 736570836 /nfs/dbraw/zinc/57/08/36/736570836.db2.gz YBETYZBBGWJAFU-KDOFPFPSSA-N 1 2 343.431 0.551 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCc4nn[nH]c43)C2)C1 ZINC000972525068 736570840 /nfs/dbraw/zinc/57/08/40/736570840.db2.gz YBETYZBBGWJAFU-KDOFPFPSSA-N 1 2 343.431 0.551 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCc4nn[nH]c43)C2)C1 ZINC000972525055 736570860 /nfs/dbraw/zinc/57/08/60/736570860.db2.gz XZPVOWPMGLYTLK-CXAGYDPISA-N 1 2 331.420 0.714 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCc4nn[nH]c43)C2)C1 ZINC000972525055 736570863 /nfs/dbraw/zinc/57/08/63/736570863.db2.gz XZPVOWPMGLYTLK-CXAGYDPISA-N 1 2 331.420 0.714 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)co3)C2)C1 ZINC000972549144 736678217 /nfs/dbraw/zinc/67/82/17/736678217.db2.gz MKEUKJTXMPQREX-KRWDZBQOSA-N 1 2 331.372 0.319 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)co3)C2)C1 ZINC000972549144 736678218 /nfs/dbraw/zinc/67/82/18/736678218.db2.gz MKEUKJTXMPQREX-KRWDZBQOSA-N 1 2 331.372 0.319 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CCC[C@@H](C)C3)C2)C1 ZINC000972584931 736964902 /nfs/dbraw/zinc/96/49/02/736964902.db2.gz CUCUDWLWSGMZHZ-VQIMIIECSA-N 1 2 347.459 0.572 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CCC[C@@H](C)C3)C2)C1 ZINC000972584931 736964907 /nfs/dbraw/zinc/96/49/07/736964907.db2.gz CUCUDWLWSGMZHZ-VQIMIIECSA-N 1 2 347.459 0.572 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@@H+](Cc3nncn3C)C2)c1 ZINC001023582423 737033124 /nfs/dbraw/zinc/03/31/24/737033124.db2.gz HDFZVESFGPXHDP-OAHLLOKOSA-N 1 2 338.415 0.833 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+](Cc3nncn3C)C2)c1 ZINC001023582423 737033127 /nfs/dbraw/zinc/03/31/27/737033127.db2.gz HDFZVESFGPXHDP-OAHLLOKOSA-N 1 2 338.415 0.833 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cn(C)nn3)C2)c1 ZINC001023583584 737040342 /nfs/dbraw/zinc/04/03/42/737040342.db2.gz JICHAOLPVBRCOS-HNNXBMFYSA-N 1 2 338.415 0.833 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cn(C)nn3)C2)c1 ZINC001023583584 737040344 /nfs/dbraw/zinc/04/03/44/737040344.db2.gz JICHAOLPVBRCOS-HNNXBMFYSA-N 1 2 338.415 0.833 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC[C@@H]3CC)C2)C1 ZINC000972628436 737153714 /nfs/dbraw/zinc/15/37/14/737153714.db2.gz RQZHOLRCAUTAFJ-LPHOPBHVSA-N 1 2 347.459 0.714 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC[C@@H]3CC)C2)C1 ZINC000972628436 737153719 /nfs/dbraw/zinc/15/37/19/737153719.db2.gz RQZHOLRCAUTAFJ-LPHOPBHVSA-N 1 2 347.459 0.714 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCCN3C(N)=O)C2)C1 ZINC000972634784 737181369 /nfs/dbraw/zinc/18/13/69/737181369.db2.gz MWYKHXXCSKDNIU-CRAIPNDOSA-N 1 2 348.447 0.246 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCCN3C(N)=O)C2)C1 ZINC000972634784 737181375 /nfs/dbraw/zinc/18/13/75/737181375.db2.gz MWYKHXXCSKDNIU-CRAIPNDOSA-N 1 2 348.447 0.246 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)N3CCCC3=O)C2)C1 ZINC000972634944 737183000 /nfs/dbraw/zinc/18/30/00/737183000.db2.gz NWHUWGHBTZMPLZ-YJBOKZPZSA-N 1 2 335.448 0.877 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)N3CCCC3=O)C2)C1 ZINC000972634944 737183003 /nfs/dbraw/zinc/18/30/03/737183003.db2.gz NWHUWGHBTZMPLZ-YJBOKZPZSA-N 1 2 335.448 0.877 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(N(C)C)nn3)C2)C1 ZINC000972640368 737203112 /nfs/dbraw/zinc/20/31/12/737203112.db2.gz IZFABHLXBNHBNJ-SFHVURJKSA-N 1 2 343.431 0.483 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(N(C)C)nn3)C2)C1 ZINC000972640368 737203114 /nfs/dbraw/zinc/20/31/14/737203114.db2.gz IZFABHLXBNHBNJ-SFHVURJKSA-N 1 2 343.431 0.483 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 ZINC000972683830 737373684 /nfs/dbraw/zinc/37/36/84/737373684.db2.gz PLBNROGRKFZFJA-GDBMZVCRSA-N 1 2 342.461 0.443 20 30 ECEDLO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 ZINC000972683830 737373686 /nfs/dbraw/zinc/37/36/86/737373686.db2.gz PLBNROGRKFZFJA-GDBMZVCRSA-N 1 2 342.461 0.443 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3ccn[nH]3)C[C@H]21 ZINC000972835254 737759092 /nfs/dbraw/zinc/75/90/92/737759092.db2.gz SLMQGYBLGXWDQV-VNQPRFMTSA-N 1 2 341.415 0.180 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3ccn[nH]3)C[C@H]21 ZINC000972835254 737759095 /nfs/dbraw/zinc/75/90/95/737759095.db2.gz SLMQGYBLGXWDQV-VNQPRFMTSA-N 1 2 341.415 0.180 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC(C)(C)C)C[C@H]1O ZINC001024357733 737920058 /nfs/dbraw/zinc/92/00/58/737920058.db2.gz VFQOIJICBCJPMX-QLFBSQMISA-N 1 2 335.448 0.208 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC(C)(C)C)C[C@H]1O ZINC001024357733 737920061 /nfs/dbraw/zinc/92/00/61/737920061.db2.gz VFQOIJICBCJPMX-QLFBSQMISA-N 1 2 335.448 0.208 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)=C2CCC2)C[C@H]1O ZINC001024358776 737920783 /nfs/dbraw/zinc/92/07/83/737920783.db2.gz VJWXSLQNSVSYIX-IXDOHACOSA-N 1 2 345.443 0.272 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)=C2CCC2)C[C@H]1O ZINC001024358776 737920785 /nfs/dbraw/zinc/92/07/85/737920785.db2.gz VJWXSLQNSVSYIX-IXDOHACOSA-N 1 2 345.443 0.272 20 30 ECEDLO Cn1nnc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC#Cc2ccccc2)n1 ZINC001024608204 738163744 /nfs/dbraw/zinc/16/37/44/738163744.db2.gz NRZPREFJWKKKKC-INIZCTEOSA-N 1 2 338.415 0.846 20 30 ECEDLO Cn1nnc(C(=O)NC[C@@H]2CCCC[N@H+]2CC#Cc2ccccc2)n1 ZINC001024608204 738163746 /nfs/dbraw/zinc/16/37/46/738163746.db2.gz NRZPREFJWKKKKC-INIZCTEOSA-N 1 2 338.415 0.846 20 30 ECEDLO N#Cc1nccc(N2CCC3(C[C@H]3NC(=O)Cc3c[nH]c[nH+]3)CC2)n1 ZINC001058650810 739778025 /nfs/dbraw/zinc/77/80/25/739778025.db2.gz VDYZAPGPPLGULR-CYBMUJFWSA-N 1 2 337.387 0.789 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNc1ncnc2[nH]cnc21 ZINC001104861780 740747989 /nfs/dbraw/zinc/74/79/89/740747989.db2.gz AJUVSIYFVNWGNY-OLZOCXBDSA-N 1 2 341.419 0.661 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNc1ncnc2[nH]cnc21 ZINC001104861780 740747991 /nfs/dbraw/zinc/74/79/91/740747991.db2.gz AJUVSIYFVNWGNY-OLZOCXBDSA-N 1 2 341.419 0.661 20 30 ECEDLO CN(C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)c1nccnc1C#N ZINC001058705468 740976152 /nfs/dbraw/zinc/97/61/52/740976152.db2.gz BNIPGKSKIJAMQW-ZDUSSCGKSA-N 1 2 339.403 0.989 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)cn1 ZINC000974327456 741327623 /nfs/dbraw/zinc/32/76/23/741327623.db2.gz XNISLIASPDSBEB-GASCZTMLSA-N 1 2 337.383 0.416 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCn3cccn3)C2)nn1 ZINC001098618631 741409976 /nfs/dbraw/zinc/40/99/76/741409976.db2.gz GWFQIAVNAKYOEP-MRXNPFEDSA-N 1 2 341.419 0.451 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CC[C@H]3CCCO3)C2)nn1 ZINC001105165997 741432478 /nfs/dbraw/zinc/43/24/78/741432478.db2.gz WJUODMVLPYXUKW-MRXNPFEDSA-N 1 2 331.420 0.734 20 30 ECEDLO CCCCOCC(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105199826 741462323 /nfs/dbraw/zinc/46/23/23/741462323.db2.gz JVVPPCYHWWSUJW-UHFFFAOYSA-N 1 2 349.435 0.218 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)/C(C)=C/C)C2)nn1 ZINC001105207104 741473674 /nfs/dbraw/zinc/47/36/74/741473674.db2.gz FMMXIAAFQQDWIT-UWUHSAQLSA-N 1 2 346.435 0.408 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)[C@H]3CCCCO3)C2)nn1 ZINC001105242662 741539374 /nfs/dbraw/zinc/53/93/74/741539374.db2.gz CIAMMCZSRCMGGY-MRXNPFEDSA-N 1 2 345.447 0.980 20 30 ECEDLO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001026618292 741619526 /nfs/dbraw/zinc/61/95/26/741619526.db2.gz YXBRXOWKHYPUOS-VNQPRFMTSA-N 1 2 340.427 0.822 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3cccnc3)C2)nn1 ZINC001105278431 741633442 /nfs/dbraw/zinc/63/34/42/741633442.db2.gz CPXWTOJOGQCVDA-UHFFFAOYSA-N 1 2 338.415 0.802 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(OCC)no3)C2)nn1 ZINC001105285988 741643587 /nfs/dbraw/zinc/64/35/87/741643587.db2.gz ZXXGLQZEBZBMEU-UHFFFAOYSA-N 1 2 330.348 0.085 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(OCC)no3)C2)nn1 ZINC001105285020 741643878 /nfs/dbraw/zinc/64/38/78/741643878.db2.gz AHMLFVURBJMLPD-UHFFFAOYSA-N 1 2 344.375 0.475 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC(n2cc(C[NH2+]CC(=O)NCC)nn2)C1 ZINC001105299414 741682074 /nfs/dbraw/zinc/68/20/74/741682074.db2.gz WYIBCKARVYCUKC-UHFFFAOYSA-N 1 2 348.451 0.489 20 30 ECEDLO C#CCCCCCC(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001105301893 741692771 /nfs/dbraw/zinc/69/27/71/741692771.db2.gz YESYJKUWAQABPN-ZDUSSCGKSA-N 1 2 346.435 0.209 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[C@H](F)C3)C2)nn1 ZINC001105314351 741735034 /nfs/dbraw/zinc/73/50/34/741735034.db2.gz QJTIQWIOXYYZRZ-KBPBESRZSA-N 1 2 349.410 0.539 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)[C@H]3CCCO3)C2)nn1 ZINC001105322664 741782384 /nfs/dbraw/zinc/78/23/84/741782384.db2.gz ZDBMMHKMAZGUSY-CZUORRHYSA-N 1 2 331.420 0.589 20 30 ECEDLO O=C(Cn1cnnn1)N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001006686010 751672428 /nfs/dbraw/zinc/67/24/28/751672428.db2.gz SFHRFRRMEZZSTA-INIZCTEOSA-N 1 2 342.378 0.445 20 30 ECEDLO O=C(Cn1cnnn1)N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001006686010 751672432 /nfs/dbraw/zinc/67/24/32/751672432.db2.gz SFHRFRRMEZZSTA-INIZCTEOSA-N 1 2 342.378 0.445 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](CC(=O)N2CCC2)CC1 ZINC000982173386 751683269 /nfs/dbraw/zinc/68/32/69/751683269.db2.gz MDXGKXBECFCHEB-RDJZCZTQSA-N 1 2 335.448 0.734 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](CC(=O)N2CCC2)CC1 ZINC000982173386 751683273 /nfs/dbraw/zinc/68/32/73/751683273.db2.gz MDXGKXBECFCHEB-RDJZCZTQSA-N 1 2 335.448 0.734 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2nnc(C)[nH]2)CC1(C)C ZINC000974683059 742010753 /nfs/dbraw/zinc/01/07/53/742010753.db2.gz BLAUMLWIZOEKRS-GJZGRUSLSA-N 1 2 344.463 0.537 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2nnc(C)[nH]2)CC1(C)C ZINC000974683059 742010756 /nfs/dbraw/zinc/01/07/56/742010756.db2.gz BLAUMLWIZOEKRS-GJZGRUSLSA-N 1 2 344.463 0.537 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2nccn2C)CC1(C)C ZINC000974698964 742059314 /nfs/dbraw/zinc/05/93/14/742059314.db2.gz IRSSDEVEKXAUGH-HOTGVXAUSA-N 1 2 343.475 0.844 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2nccn2C)CC1(C)C ZINC000974698964 742059318 /nfs/dbraw/zinc/05/93/18/742059318.db2.gz IRSSDEVEKXAUGH-HOTGVXAUSA-N 1 2 343.475 0.844 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC(n2cc(C[NH2+][C@H](C)C(=O)NC)nn2)C1 ZINC001105334302 742090271 /nfs/dbraw/zinc/09/02/71/742090271.db2.gz BBRXMMOHZRWDCI-GFCCVEGCSA-N 1 2 348.451 0.488 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC(n2cc(C[NH2+][C@H]3CCNC3=O)nn2)C1 ZINC001105335251 742125679 /nfs/dbraw/zinc/12/56/79/742125679.db2.gz VILQYXPYPWYFOI-AWEZNQCLSA-N 1 2 346.435 0.242 20 30 ECEDLO CN(C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(=O)c1cc(C#N)c[nH]1 ZINC000988261690 751737261 /nfs/dbraw/zinc/73/72/61/751737261.db2.gz BWJSMFDJIXCKLE-GFCCVEGCSA-N 1 2 340.387 0.773 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)c[nH]1 ZINC000975213385 742610516 /nfs/dbraw/zinc/61/05/16/742610516.db2.gz JRLFLAMZMGRIHM-LBPRGKRZSA-N 1 2 340.387 0.821 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)[nH]1 ZINC000975216679 742612692 /nfs/dbraw/zinc/61/26/92/742612692.db2.gz CKUFVVXMRZWUCH-GFCCVEGCSA-N 1 2 340.387 0.821 20 30 ECEDLO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1nc(C2CCCC2)no1 ZINC001125981906 742673977 /nfs/dbraw/zinc/67/39/77/742673977.db2.gz NLBVBKCAGDWMKJ-UHFFFAOYSA-N 1 2 333.392 0.073 20 30 ECEDLO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CC[NH+](Cc2nnnn2C)CC1 ZINC000997022026 743141656 /nfs/dbraw/zinc/14/16/56/743141656.db2.gz IZIAYFFKAQYAIH-LLVKDONJSA-N 1 2 342.407 0.440 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cn1 ZINC000997104640 743241825 /nfs/dbraw/zinc/24/18/25/743241825.db2.gz WTTAAXCHIBVWGC-HUUCEWRRSA-N 1 2 335.367 0.530 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cn1 ZINC000997104640 743241832 /nfs/dbraw/zinc/24/18/32/743241832.db2.gz WTTAAXCHIBVWGC-HUUCEWRRSA-N 1 2 335.367 0.530 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CCN(C(=O)[C@H](C)C#N)C[C@@H]21 ZINC000975973414 743422371 /nfs/dbraw/zinc/42/23/71/743422371.db2.gz UHYPJDFAIFHOTJ-ZLDLUXBVSA-N 1 2 329.404 0.870 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C)C2)nn1 ZINC001098695151 743520892 /nfs/dbraw/zinc/52/08/92/743520892.db2.gz QOAURRKILQOFCM-FVQBIDKESA-N 1 2 331.420 0.447 20 30 ECEDLO Cn1[nH]c(C[N@H+](C)[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)nc1=O ZINC001027375832 744054934 /nfs/dbraw/zinc/05/49/34/744054934.db2.gz YVDIPMDJVKTJBL-CYBMUJFWSA-N 1 2 343.391 0.045 20 30 ECEDLO Cn1[nH]c(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)nc1=O ZINC001027375832 744054937 /nfs/dbraw/zinc/05/49/37/744054937.db2.gz YVDIPMDJVKTJBL-CYBMUJFWSA-N 1 2 343.391 0.045 20 30 ECEDLO C#CC[NH2+][C@H]1CN(C(=O)CCc2cnn[nH]2)CC[C@H]1C(F)(F)F ZINC000998299042 744106546 /nfs/dbraw/zinc/10/65/46/744106546.db2.gz CIDAHYNUEUWTKW-NEPJUHHUSA-N 1 2 329.326 0.740 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cc[nH+]c2)cc1 ZINC000976767899 744310557 /nfs/dbraw/zinc/31/05/57/744310557.db2.gz YYNWIPCQPOQHOL-VQFNDLOPSA-N 1 2 334.379 0.751 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3ncoc3C)C2)C1=O ZINC001006873173 751924497 /nfs/dbraw/zinc/92/44/97/751924497.db2.gz UPPLJPBNOALSCS-UONOGXRCSA-N 1 2 332.404 0.964 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3ncoc3C)C2)C1=O ZINC001006873173 751924502 /nfs/dbraw/zinc/92/45/02/751924502.db2.gz UPPLJPBNOALSCS-UONOGXRCSA-N 1 2 332.404 0.964 20 30 ECEDLO C=CCOc1cccnc1C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NC ZINC001028251295 751926157 /nfs/dbraw/zinc/92/61/57/751926157.db2.gz ZDJKXTNPDSXVLP-CYBMUJFWSA-N 1 2 332.404 0.587 20 30 ECEDLO C=CCOc1cccnc1C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NC ZINC001028251295 751926162 /nfs/dbraw/zinc/92/61/62/751926162.db2.gz ZDJKXTNPDSXVLP-CYBMUJFWSA-N 1 2 332.404 0.587 20 30 ECEDLO C#Cc1cncc(C(=O)NC2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)c1 ZINC000999320639 744625335 /nfs/dbraw/zinc/62/53/35/744625335.db2.gz WVEQKRDNHBCQQB-CYBMUJFWSA-N 1 2 337.383 0.851 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000999355604 744648983 /nfs/dbraw/zinc/64/89/83/744648983.db2.gz OBOVLQCUOQOSDN-IPYPFGDCSA-N 1 2 344.415 0.748 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CC(=O)NC)CC2(C)C)nn1 ZINC000977284372 744841707 /nfs/dbraw/zinc/84/17/07/744841707.db2.gz JHXUQIWQPYAQIK-CYBMUJFWSA-N 1 2 334.424 0.040 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](CC(=O)NC)CC2(C)C)nn1 ZINC000977284372 744841711 /nfs/dbraw/zinc/84/17/11/744841711.db2.gz JHXUQIWQPYAQIK-CYBMUJFWSA-N 1 2 334.424 0.040 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)C(C)(C)C1 ZINC000977553849 745176884 /nfs/dbraw/zinc/17/68/84/745176884.db2.gz PWMRHZGAAPPEBT-ZIAGYGMSSA-N 1 2 343.855 0.813 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)C(C)(C)C1 ZINC000977553849 745176889 /nfs/dbraw/zinc/17/68/89/745176889.db2.gz PWMRHZGAAPPEBT-ZIAGYGMSSA-N 1 2 343.855 0.813 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001000023320 745194726 /nfs/dbraw/zinc/19/47/26/745194726.db2.gz YWBYYFWILKOULU-CFVMTHIKSA-N 1 2 344.415 0.364 20 30 ECEDLO C#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3n[nH]c4ccccc43)nn2)C1 ZINC001000043190 745222894 /nfs/dbraw/zinc/22/28/94/745222894.db2.gz IOJVNCRDVZGAGU-CQSZACIVSA-N 1 2 349.398 0.964 20 30 ECEDLO C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3n[nH]c4ccccc43)nn2)C1 ZINC001000043190 745222899 /nfs/dbraw/zinc/22/28/99/745222899.db2.gz IOJVNCRDVZGAGU-CQSZACIVSA-N 1 2 349.398 0.964 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(C#N)c1 ZINC000977585172 745245140 /nfs/dbraw/zinc/24/51/40/745245140.db2.gz OCGPREHABDMLBB-CQSZACIVSA-N 1 2 340.387 0.834 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C(C)(C)C1 ZINC000977587316 745248315 /nfs/dbraw/zinc/24/83/15/745248315.db2.gz GRGIOLZIBYVXMU-NSHDSACASA-N 1 2 340.811 0.679 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C(C)(C)C1 ZINC000977587316 745248321 /nfs/dbraw/zinc/24/83/21/745248321.db2.gz GRGIOLZIBYVXMU-NSHDSACASA-N 1 2 340.811 0.679 20 30 ECEDLO CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)CCC#N)C[C@H]1OC ZINC001211869149 745501487 /nfs/dbraw/zinc/50/14/87/745501487.db2.gz XCODKGMYYSLOAJ-HUUCEWRRSA-N 1 2 338.452 0.754 20 30 ECEDLO CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)CCC#N)C[C@H]1OC ZINC001211869149 745501490 /nfs/dbraw/zinc/50/14/90/745501490.db2.gz XCODKGMYYSLOAJ-HUUCEWRRSA-N 1 2 338.452 0.754 20 30 ECEDLO Cn1ncnc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC000978026209 745791409 /nfs/dbraw/zinc/79/14/09/745791409.db2.gz ALZATTTXKRYKRY-ZSOGYDGISA-N 1 2 325.376 0.123 20 30 ECEDLO Cn1ncnc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC000978026209 745791413 /nfs/dbraw/zinc/79/14/13/745791413.db2.gz ALZATTTXKRYKRY-ZSOGYDGISA-N 1 2 325.376 0.123 20 30 ECEDLO C#Cc1cncc(C(=O)NCC2=CC[N@H+](CCS(C)(=O)=O)CC2)c1 ZINC001001129248 746098780 /nfs/dbraw/zinc/09/87/80/746098780.db2.gz SZQLXAFTLLFULC-UHFFFAOYSA-N 1 2 347.440 0.469 20 30 ECEDLO C#Cc1cncc(C(=O)NCC2=CC[N@@H+](CCS(C)(=O)=O)CC2)c1 ZINC001001129248 746098782 /nfs/dbraw/zinc/09/87/82/746098782.db2.gz SZQLXAFTLLFULC-UHFFFAOYSA-N 1 2 347.440 0.469 20 30 ECEDLO C=CCn1cccc1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ncnn3C)C[C@H]21 ZINC000978274759 746134885 /nfs/dbraw/zinc/13/48/85/746134885.db2.gz ROABCYVLEWYNOJ-QKDCVEJESA-N 1 2 340.431 0.910 20 30 ECEDLO C=CCn1cccc1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ncnn3C)C[C@H]21 ZINC000978274759 746134887 /nfs/dbraw/zinc/13/48/87/746134887.db2.gz ROABCYVLEWYNOJ-QKDCVEJESA-N 1 2 340.431 0.910 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000978423342 746323683 /nfs/dbraw/zinc/32/36/83/746323683.db2.gz YBCPSBYXMSXOPI-KFWWJZLASA-N 1 2 332.404 0.603 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2=CC[N@H+](CCS(C)(=O)=O)CC2)nc1 ZINC001001378465 746324187 /nfs/dbraw/zinc/32/41/87/746324187.db2.gz ITLDWACMHWSAOF-UHFFFAOYSA-N 1 2 347.440 0.469 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2=CC[N@@H+](CCS(C)(=O)=O)CC2)nc1 ZINC001001378465 746324192 /nfs/dbraw/zinc/32/41/92/746324192.db2.gz ITLDWACMHWSAOF-UHFFFAOYSA-N 1 2 347.440 0.469 20 30 ECEDLO O=C([C@@H]1CCNC1=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029420512 746339314 /nfs/dbraw/zinc/33/93/14/746339314.db2.gz DABIXHUOKHTRJD-FGTMMUONSA-N 1 2 337.423 0.849 20 30 ECEDLO O=C([C@@H]1CCNC1=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029420512 746339320 /nfs/dbraw/zinc/33/93/20/746339320.db2.gz DABIXHUOKHTRJD-FGTMMUONSA-N 1 2 337.423 0.849 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3CCC(OC)CC3)C2)nn1 ZINC001098706274 746434603 /nfs/dbraw/zinc/43/46/03/746434603.db2.gz XAZKJMNAMYCHPU-ARWYELJZSA-N 1 2 345.447 0.980 20 30 ECEDLO C=C1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nc(=O)n(C)[nH]4)C[C@H]32)CC1 ZINC000978702328 746602594 /nfs/dbraw/zinc/60/25/94/746602594.db2.gz RLMPKXZMABHRNU-QKDCVEJESA-N 1 2 345.447 0.649 20 30 ECEDLO C=C1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nc(=O)n(C)[nH]4)C[C@H]32)CC1 ZINC000978702328 746602600 /nfs/dbraw/zinc/60/26/00/746602600.db2.gz RLMPKXZMABHRNU-QKDCVEJESA-N 1 2 345.447 0.649 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cnn(C)n3)C[C@H]21 ZINC000978718288 746618665 /nfs/dbraw/zinc/61/86/65/746618665.db2.gz NYTOASUJXJEFPX-SUJAAXHWSA-N 1 2 331.420 0.200 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cnn(C)n3)C[C@H]21 ZINC000978718288 746618668 /nfs/dbraw/zinc/61/86/68/746618668.db2.gz NYTOASUJXJEFPX-SUJAAXHWSA-N 1 2 331.420 0.200 20 30 ECEDLO CCCn1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2C1 ZINC001087909327 746639374 /nfs/dbraw/zinc/63/93/74/746639374.db2.gz INRLQVMMIRJNLP-MCIONIFRSA-N 1 2 331.424 0.523 20 30 ECEDLO CCCn1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2C1 ZINC001087909327 746639375 /nfs/dbraw/zinc/63/93/75/746639375.db2.gz INRLQVMMIRJNLP-MCIONIFRSA-N 1 2 331.424 0.523 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](C)C(=O)NC)c1 ZINC001029466959 746700762 /nfs/dbraw/zinc/70/07/62/746700762.db2.gz SALWMGSAAJCSEG-VBNZEHGJSA-N 1 2 326.400 0.486 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)C(=O)NC)c1 ZINC001029466959 746700763 /nfs/dbraw/zinc/70/07/63/746700763.db2.gz SALWMGSAAJCSEG-VBNZEHGJSA-N 1 2 326.400 0.486 20 30 ECEDLO C=CCCCC(=O)N1CC[C@@H](n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001098711463 746763702 /nfs/dbraw/zinc/76/37/02/746763702.db2.gz VFNSNMKKIRHOAO-GXTWGEPZSA-N 1 2 334.424 0.371 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001002194760 747069215 /nfs/dbraw/zinc/06/92/15/747069215.db2.gz HTPDHIUPFDFSAA-YOEHRIQHSA-N 1 2 346.431 0.816 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001002195426 747071005 /nfs/dbraw/zinc/07/10/05/747071005.db2.gz LIGGNMSOVHOENT-RDJZCZTQSA-N 1 2 346.431 0.518 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](CC(C)C)OC)C2)nn1 ZINC001098715958 747164109 /nfs/dbraw/zinc/16/41/09/747164109.db2.gz MPNUFZNAXFPNRV-HOTGVXAUSA-N 1 2 333.436 0.835 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](CC(C)C)OC)C2)nn1 ZINC001098715957 747164555 /nfs/dbraw/zinc/16/45/55/747164555.db2.gz MPNUFZNAXFPNRV-CVEARBPZSA-N 1 2 333.436 0.835 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](C)C(=O)N(C)C)nn1 ZINC001029507272 747198048 /nfs/dbraw/zinc/19/80/48/747198048.db2.gz CDOZBIJPFHLILF-MELADBBJSA-N 1 2 346.435 0.230 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)C(=O)N(C)C)nn1 ZINC001029507272 747198052 /nfs/dbraw/zinc/19/80/52/747198052.db2.gz CDOZBIJPFHLILF-MELADBBJSA-N 1 2 346.435 0.230 20 30 ECEDLO CCn1cc(C[NH+]2CCC(NC(=O)c3ccc(C#N)[nH]3)CC2)nn1 ZINC001002618799 747579140 /nfs/dbraw/zinc/57/91/40/747579140.db2.gz AZELTTBZOBVULH-UHFFFAOYSA-N 1 2 327.392 0.892 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCC(NC(=O)Cc3n[nH]c(C)n3)CC2)C1=O ZINC001002774731 747765809 /nfs/dbraw/zinc/76/58/09/747765809.db2.gz JGXJNQRKIHCOTF-AWEZNQCLSA-N 1 2 346.435 0.023 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1CN(C(=O)C#CC3CC3)C1)C2 ZINC001002781647 747776572 /nfs/dbraw/zinc/77/65/72/747776572.db2.gz MAESJISDEHKCDW-HNNXBMFYSA-N 1 2 340.427 0.811 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1CN(C(=O)C#CC3CC3)C1)CC2 ZINC001002781647 747776583 /nfs/dbraw/zinc/77/65/83/747776583.db2.gz MAESJISDEHKCDW-HNNXBMFYSA-N 1 2 340.427 0.811 20 30 ECEDLO N#CCN1CC[C@H](OCC2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001088242367 747957268 /nfs/dbraw/zinc/95/72/68/747957268.db2.gz WNAZWVTYIBABIO-INIZCTEOSA-N 1 2 331.420 0.736 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)COCCC)[C@H](OC)C2)C1=O ZINC001211983550 752232349 /nfs/dbraw/zinc/23/23/49/752232349.db2.gz IUZBQEGDHGSRNX-RBSFLKMASA-N 1 2 339.436 0.015 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)COCCC)[C@H](OC)C2)C1=O ZINC001211983550 752232357 /nfs/dbraw/zinc/23/23/57/752232357.db2.gz IUZBQEGDHGSRNX-RBSFLKMASA-N 1 2 339.436 0.015 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H](C[N@H+](C)Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001029676433 748039760 /nfs/dbraw/zinc/03/97/60/748039760.db2.gz AZMNZNXJZQYPKS-CHWSQXEVSA-N 1 2 342.403 0.463 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001029676433 748039768 /nfs/dbraw/zinc/03/97/68/748039768.db2.gz AZMNZNXJZQYPKS-CHWSQXEVSA-N 1 2 342.403 0.463 20 30 ECEDLO Cn1cnnc1C[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001029691656 748080122 /nfs/dbraw/zinc/08/01/22/748080122.db2.gz RLCPWOSWZCKOQX-GFCCVEGCSA-N 1 2 327.392 0.609 20 30 ECEDLO Cn1cnnc1C[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001029691656 748080127 /nfs/dbraw/zinc/08/01/27/748080127.db2.gz RLCPWOSWZCKOQX-GFCCVEGCSA-N 1 2 327.392 0.609 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000979606524 748096161 /nfs/dbraw/zinc/09/61/61/748096161.db2.gz IXCVTCXSUIZKOU-AULYBMBSSA-N 1 2 340.387 0.487 20 30 ECEDLO Cn1nnc(C(=O)NC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)n1 ZINC001003447055 748563947 /nfs/dbraw/zinc/56/39/47/748563947.db2.gz MUAGPIYQESGQOQ-UHFFFAOYSA-N 1 2 343.366 0.615 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC000982478492 752301674 /nfs/dbraw/zinc/30/16/74/752301674.db2.gz JCYJAVCNPMFDLK-HIFRSBDPSA-N 1 2 329.404 0.086 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC000982478492 752301682 /nfs/dbraw/zinc/30/16/82/752301682.db2.gz JCYJAVCNPMFDLK-HIFRSBDPSA-N 1 2 329.404 0.086 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cn(CCOC)nn1 ZINC001027876563 748962623 /nfs/dbraw/zinc/96/26/23/748962623.db2.gz QAOIREKJXWRVNH-GFCCVEGCSA-N 1 2 327.816 0.871 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(CCOC)nn1 ZINC001027876563 748962626 /nfs/dbraw/zinc/96/26/26/748962626.db2.gz QAOIREKJXWRVNH-GFCCVEGCSA-N 1 2 327.816 0.871 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCCO2)[C@H](OC)C1 ZINC001211903158 748963111 /nfs/dbraw/zinc/96/31/11/748963111.db2.gz GQRUNNYWKHVVTK-RRFJBIMHSA-N 1 2 339.436 0.063 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCCO2)[C@H](OC)C1 ZINC001211903158 748963117 /nfs/dbraw/zinc/96/31/17/748963117.db2.gz GQRUNNYWKHVVTK-RRFJBIMHSA-N 1 2 339.436 0.063 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3cocn3)CC2)CC1 ZINC000985826475 749185304 /nfs/dbraw/zinc/18/53/04/749185304.db2.gz YNDMKDSCWNTXQC-UHFFFAOYSA-N 1 2 333.392 0.356 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3nocc3C)CC2)CC1 ZINC000985828695 749190816 /nfs/dbraw/zinc/19/08/16/749190816.db2.gz XCEGAJLPWSZPCD-UHFFFAOYSA-N 1 2 347.419 0.664 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H](O)C(C)C)CC2)CC1 ZINC000985828526 749190835 /nfs/dbraw/zinc/19/08/35/749190835.db2.gz HVTIHCXYXKKAAE-OAHLLOKOSA-N 1 2 338.452 0.071 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000986027063 749386107 /nfs/dbraw/zinc/38/61/07/749386107.db2.gz SXQPCFGJSBSUOX-MJBXVCDLSA-N 1 2 329.404 0.809 20 30 ECEDLO C=CCCC(=O)NCCN(CCOC)c1ncnc2c1C[N@H+](C)CC2 ZINC001126280243 749532280 /nfs/dbraw/zinc/53/22/80/749532280.db2.gz ONAJIGQOBOZEEZ-UHFFFAOYSA-N 1 2 347.463 1.000 20 30 ECEDLO C=CCCC(=O)NCCN(CCOC)c1ncnc2c1C[N@@H+](C)CC2 ZINC001126280243 749532283 /nfs/dbraw/zinc/53/22/83/749532283.db2.gz ONAJIGQOBOZEEZ-UHFFFAOYSA-N 1 2 347.463 1.000 20 30 ECEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001004633886 749713147 /nfs/dbraw/zinc/71/31/47/749713147.db2.gz KSCLOJRXJLOLLQ-KBPBESRZSA-N 1 2 332.404 0.266 20 30 ECEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001004633886 749713151 /nfs/dbraw/zinc/71/31/51/749713151.db2.gz KSCLOJRXJLOLLQ-KBPBESRZSA-N 1 2 332.404 0.266 20 30 ECEDLO COCCc1noc(C[NH2+][C@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C)n1 ZINC000986276328 749744589 /nfs/dbraw/zinc/74/45/89/749744589.db2.gz HSUBZMGVSCCWFP-OCCSQVGLSA-N 1 2 332.404 0.751 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](C)OCC3CC3)C2)nn1 ZINC001098633475 749945517 /nfs/dbraw/zinc/94/55/17/749945517.db2.gz LGJIYLMUDKJGOS-BBRMVZONSA-N 1 2 331.420 0.589 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3cnn(C)c3C)CC2)C1=O ZINC000980711240 750002668 /nfs/dbraw/zinc/00/26/68/750002668.db2.gz BUVCTPQVGWCOKM-MRXNPFEDSA-N 1 2 345.447 0.663 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3cnn(C)c3C)CC2)C1=O ZINC000980711240 750002676 /nfs/dbraw/zinc/00/26/76/750002676.db2.gz BUVCTPQVGWCOKM-MRXNPFEDSA-N 1 2 345.447 0.663 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001027979280 750156099 /nfs/dbraw/zinc/15/60/99/750156099.db2.gz XGOATKATUKAFGP-RYUDHWBXSA-N 1 2 339.827 0.879 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001027979280 750156102 /nfs/dbraw/zinc/15/61/02/750156102.db2.gz XGOATKATUKAFGP-RYUDHWBXSA-N 1 2 339.827 0.879 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3cc(C)on3)C2)nn1 ZINC001098634115 750229917 /nfs/dbraw/zinc/22/99/17/750229917.db2.gz OQHLUZGFPDVMHC-HNNXBMFYSA-N 1 2 328.376 0.313 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3snnc3C(C)C)C2)nn1 ZINC001105350209 750438277 /nfs/dbraw/zinc/43/82/77/750438277.db2.gz YKMXTJDWTBJNRA-UHFFFAOYSA-N 1 2 345.432 0.673 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@]3(C)CCCOC3)C2)nn1 ZINC001105351701 750464624 /nfs/dbraw/zinc/46/46/24/750464624.db2.gz GUZGEVFDUIANDA-KRWDZBQOSA-N 1 2 331.420 0.591 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(C)o3)[C@@H]2C)nn1 ZINC000987137311 750532785 /nfs/dbraw/zinc/53/27/85/750532785.db2.gz XXOBRUHZBLECKR-CMPLNLGQSA-N 1 2 331.380 0.548 20 30 ECEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@H]2CCNC2=O)CC1 ZINC001005817145 750676276 /nfs/dbraw/zinc/67/62/76/750676276.db2.gz AKLVYVGJQYHMOO-LBPRGKRZSA-N 1 2 344.253 0.954 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001028109002 750893760 /nfs/dbraw/zinc/89/37/60/750893760.db2.gz BVTIDKCNNWIYEP-LSDHHAIUSA-N 1 2 345.378 0.459 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001028109002 750893768 /nfs/dbraw/zinc/89/37/68/750893768.db2.gz BVTIDKCNNWIYEP-LSDHHAIUSA-N 1 2 345.378 0.459 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000987634266 751032439 /nfs/dbraw/zinc/03/24/39/751032439.db2.gz MVFXQAGPOOYFNG-PWSUYJOCSA-N 1 2 326.360 0.571 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000987648472 751052986 /nfs/dbraw/zinc/05/29/86/751052986.db2.gz VCQQVOCOYBYXGL-RISCZKNCSA-N 1 2 326.360 0.502 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CNC(=O)N3)CC2)c(F)c1 ZINC000981850506 751189312 /nfs/dbraw/zinc/18/93/12/751189312.db2.gz KBBKCBGOUISZEK-OAHLLOKOSA-N 1 2 345.378 0.413 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CNC(=O)N3)CC2)c(F)c1 ZINC000981850506 751189313 /nfs/dbraw/zinc/18/93/13/751189313.db2.gz KBBKCBGOUISZEK-OAHLLOKOSA-N 1 2 345.378 0.413 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CCO[C@H](CC)C3)C2)nn1 ZINC001105358342 751195702 /nfs/dbraw/zinc/19/57/02/751195702.db2.gz XJKCQIQCPPPKLO-RHSMWYFYSA-N 1 2 345.447 0.980 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCS(C)(=O)=O ZINC001028145934 751221274 /nfs/dbraw/zinc/22/12/74/751221274.db2.gz ZXGABHPIYQUEHO-MJBXVCDLSA-N 1 2 330.450 0.203 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCS(C)(=O)=O ZINC001028145934 751221276 /nfs/dbraw/zinc/22/12/76/751221276.db2.gz ZXGABHPIYQUEHO-MJBXVCDLSA-N 1 2 330.450 0.203 20 30 ECEDLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CN(C(=O)C#CC2CC2)C1 ZINC001006326027 751247574 /nfs/dbraw/zinc/24/75/74/751247574.db2.gz MNHNVLFKRWNONO-KCPJHIHWSA-N 1 2 326.400 0.890 20 30 ECEDLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CN(C(=O)C#CC2CC2)C1 ZINC001006326027 751247579 /nfs/dbraw/zinc/24/75/79/751247579.db2.gz MNHNVLFKRWNONO-KCPJHIHWSA-N 1 2 326.400 0.890 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CCC[N@H+](CC(=O)N2CCOCC2)CC1 ZINC000981887950 751249484 /nfs/dbraw/zinc/24/94/84/751249484.db2.gz VFPOWAQCNIRDBY-SFHVURJKSA-N 1 2 337.464 0.982 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CCC[N@@H+](CC(=O)N2CCOCC2)CC1 ZINC000981887950 751249487 /nfs/dbraw/zinc/24/94/87/751249487.db2.gz VFPOWAQCNIRDBY-SFHVURJKSA-N 1 2 337.464 0.982 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC[N@@H+]([C@H]3CCC(=O)NC3=O)CC2)c1 ZINC000981923104 751270059 /nfs/dbraw/zinc/27/00/59/751270059.db2.gz JUQAGOYQERUKQS-HNNXBMFYSA-N 1 2 340.383 0.016 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC[N@H+]([C@H]3CCC(=O)NC3=O)CC2)c1 ZINC000981923104 751270061 /nfs/dbraw/zinc/27/00/61/751270061.db2.gz JUQAGOYQERUKQS-HNNXBMFYSA-N 1 2 340.383 0.016 20 30 ECEDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 ZINC000337180086 751315479 /nfs/dbraw/zinc/31/54/79/751315479.db2.gz LYPVVJYEOLWAMW-STQMWFEESA-N 1 2 339.421 0.069 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cnnn2C)C1 ZINC001007359137 752326452 /nfs/dbraw/zinc/32/64/52/752326452.db2.gz AEDSBZFLNNRYPV-BMFZPTHFSA-N 1 2 333.436 0.877 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cnnn2C)C1 ZINC001007359137 752326459 /nfs/dbraw/zinc/32/64/59/752326459.db2.gz AEDSBZFLNNRYPV-BMFZPTHFSA-N 1 2 333.436 0.877 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(n3cc(C[NH2+]CCF)nn3)C2)nc1 ZINC001105363308 752346395 /nfs/dbraw/zinc/34/63/95/752346395.db2.gz UBXZFROUHGZBHV-UHFFFAOYSA-N 1 2 328.351 0.411 20 30 ECEDLO C[C@H]1C[C@@H]([NH2+]Cc2nc(N(C)C)no2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC000988656421 752494151 /nfs/dbraw/zinc/49/41/51/752494151.db2.gz RHHBWHCYNAQGLR-CMPLNLGQSA-N 1 2 343.391 0.728 20 30 ECEDLO COCc1noc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000988657451 752494275 /nfs/dbraw/zinc/49/42/75/752494275.db2.gz UILKQUNQXYPQPB-CMPLNLGQSA-N 1 2 344.375 0.809 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)[nH]1 ZINC000937839015 752570881 /nfs/dbraw/zinc/57/08/81/752570881.db2.gz MCWVVHKZWDKDBL-YNEHKIRRSA-N 1 2 338.371 0.744 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)[nH]1 ZINC000937839015 752570886 /nfs/dbraw/zinc/57/08/86/752570886.db2.gz MCWVVHKZWDKDBL-YNEHKIRRSA-N 1 2 338.371 0.744 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC000938024719 752666312 /nfs/dbraw/zinc/66/63/12/752666312.db2.gz CDTAFXQDAXXOSJ-ZDUSSCGKSA-N 1 2 343.391 0.082 20 30 ECEDLO CC(C)n1nnnc1C[N@@H+]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028471191 752773569 /nfs/dbraw/zinc/77/35/69/752773569.db2.gz STCCBSKCUNVSCN-GFCCVEGCSA-N 1 2 342.407 0.706 20 30 ECEDLO CC(C)n1nnnc1C[N@H+]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028471191 752773576 /nfs/dbraw/zinc/77/35/76/752773576.db2.gz STCCBSKCUNVSCN-GFCCVEGCSA-N 1 2 342.407 0.706 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@@H+]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001028490285 752830879 /nfs/dbraw/zinc/83/08/79/752830879.db2.gz IEGCZZIUOMWJST-WDEREUQCSA-N 1 2 328.380 0.223 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@H+]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001028490285 752830887 /nfs/dbraw/zinc/83/08/87/752830887.db2.gz IEGCZZIUOMWJST-WDEREUQCSA-N 1 2 328.380 0.223 20 30 ECEDLO CN(CCN(C)c1[nH+]cnc2c1cnn2C)C(=O)c1ccc(C#N)[nH]1 ZINC001105369542 752990464 /nfs/dbraw/zinc/99/04/64/752990464.db2.gz BKHFROXXNZBNNH-UHFFFAOYSA-N 1 2 338.375 0.771 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@H](O)C2)C1 ZINC000991616951 762176036 /nfs/dbraw/zinc/17/60/36/762176036.db2.gz VDBNPNKATRYFPB-LSDHHAIUSA-N 1 2 346.431 0.397 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@H](C)C#N)C2 ZINC001007947308 753112685 /nfs/dbraw/zinc/11/26/85/753112685.db2.gz VSAGRFBVZRPAEL-ZUCKAHLUSA-N 1 2 329.404 0.918 20 30 ECEDLO C/C=C(\C)C(=O)N1CC[C@@H](n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001098648667 753596791 /nfs/dbraw/zinc/59/67/91/753596791.db2.gz CHMVWZYDSMOOCT-LDJMWSSVSA-N 1 2 331.420 0.757 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](NC(=O)c3cocn3)[C@@H](O)C2)cc1C#N ZINC001083369602 753700647 /nfs/dbraw/zinc/70/06/47/753700647.db2.gz FQVYHKAQXLCTPT-HIFRSBDPSA-N 1 2 342.355 0.530 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3cocn3)[C@@H](O)C2)cc1C#N ZINC001083369602 753700652 /nfs/dbraw/zinc/70/06/52/753700652.db2.gz FQVYHKAQXLCTPT-HIFRSBDPSA-N 1 2 342.355 0.530 20 30 ECEDLO C=CCO[C@H](C)C(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001059972435 753743309 /nfs/dbraw/zinc/74/33/09/753743309.db2.gz MORHOQUQJKZYRR-HUUCEWRRSA-N 1 2 348.447 0.909 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001014101129 762248910 /nfs/dbraw/zinc/24/89/10/762248910.db2.gz UJUCAIIPWJBWDN-GWCFXTLKSA-N 1 2 326.360 0.571 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+]([C@H]3CCN(C)C3=O)CC2)cn1 ZINC000989512454 754062903 /nfs/dbraw/zinc/06/29/03/754062903.db2.gz KRBYWNIZQHVGRU-INIZCTEOSA-N 1 2 326.400 0.442 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@H+]([C@H]3CCN(C)C3=O)CC2)cn1 ZINC000989512454 754062908 /nfs/dbraw/zinc/06/29/08/754062908.db2.gz KRBYWNIZQHVGRU-INIZCTEOSA-N 1 2 326.400 0.442 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3ccncn3)C2)C1=O ZINC001008922380 754314373 /nfs/dbraw/zinc/31/43/73/754314373.db2.gz HQJBDLXZRWWYOI-ZFWWWQNUSA-N 1 2 329.404 0.458 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3ccncn3)C2)C1=O ZINC001008922380 754314380 /nfs/dbraw/zinc/31/43/80/754314380.db2.gz HQJBDLXZRWWYOI-ZFWWWQNUSA-N 1 2 329.404 0.458 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)nc1 ZINC001009318731 754768372 /nfs/dbraw/zinc/76/83/72/754768372.db2.gz IXQYBIWJYOWCND-PHZGNYQRSA-N 1 2 349.394 0.394 20 30 ECEDLO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1)c1csnn1 ZINC001051561783 762343364 /nfs/dbraw/zinc/34/33/64/762343364.db2.gz COBDCFROVIMSHX-ZWNOBZJWSA-N 1 2 346.416 0.930 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001009498063 754951619 /nfs/dbraw/zinc/95/16/19/754951619.db2.gz SMBOLFQJNLNTTN-SNVBAGLBSA-N 1 2 326.784 0.433 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001009498063 754951625 /nfs/dbraw/zinc/95/16/25/754951625.db2.gz SMBOLFQJNLNTTN-SNVBAGLBSA-N 1 2 326.784 0.433 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3cc(C)n[nH]3)C2)nn1 ZINC001098651959 755121159 /nfs/dbraw/zinc/12/11/59/755121159.db2.gz HXQBCDVQAFTASL-OAHLLOKOSA-N 1 2 327.392 0.049 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3nnc(C)s3)C2)nn1 ZINC001028851611 755308977 /nfs/dbraw/zinc/30/89/77/755308977.db2.gz RPMWOMCMUFIGBB-LBPRGKRZSA-N 1 2 347.448 0.876 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3nnc(C)s3)C2)nn1 ZINC001028851611 755308982 /nfs/dbraw/zinc/30/89/82/755308982.db2.gz RPMWOMCMUFIGBB-LBPRGKRZSA-N 1 2 347.448 0.876 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3cnns3)C2)nn1 ZINC001028858397 755324980 /nfs/dbraw/zinc/32/49/80/755324980.db2.gz QEQZVMQAMZWBSK-GFCCVEGCSA-N 1 2 347.448 0.958 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3cnns3)C2)nn1 ZINC001028858397 755324983 /nfs/dbraw/zinc/32/49/83/755324983.db2.gz QEQZVMQAMZWBSK-GFCCVEGCSA-N 1 2 347.448 0.958 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)cn1 ZINC000983365771 755411171 /nfs/dbraw/zinc/41/11/71/755411171.db2.gz UHMQHCMQBCZCLT-ZDUSSCGKSA-N 1 2 337.383 0.607 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cncc(F)c3)C2)nn1 ZINC001098657069 755698775 /nfs/dbraw/zinc/69/87/75/755698775.db2.gz TXIPQVOOCCEUGA-OAHLLOKOSA-N 1 2 328.351 0.622 20 30 ECEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCC(=O)N1 ZINC001010382041 756065608 /nfs/dbraw/zinc/06/56/08/756065608.db2.gz YYPINYNOPYPNTL-HZPDHXFCSA-N 1 2 329.375 0.646 20 30 ECEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCC(=O)N1 ZINC001010382041 756065614 /nfs/dbraw/zinc/06/56/14/756065614.db2.gz YYPINYNOPYPNTL-HZPDHXFCSA-N 1 2 329.375 0.646 20 30 ECEDLO COc1cncc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001010461286 756155440 /nfs/dbraw/zinc/15/54/40/756155440.db2.gz COWVZZCWPMMCTF-GFCCVEGCSA-N 1 2 326.360 0.689 20 30 ECEDLO COc1cncc(C[N@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001010461286 756155442 /nfs/dbraw/zinc/15/54/42/756155442.db2.gz COWVZZCWPMMCTF-GFCCVEGCSA-N 1 2 326.360 0.689 20 30 ECEDLO COc1ncc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)c(C)n1 ZINC001010644852 756344552 /nfs/dbraw/zinc/34/45/52/756344552.db2.gz QPVHAPWRIIUGSL-CQSZACIVSA-N 1 2 340.387 0.998 20 30 ECEDLO COc1ncc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)c(C)n1 ZINC001010644852 756344558 /nfs/dbraw/zinc/34/45/58/756344558.db2.gz QPVHAPWRIIUGSL-CQSZACIVSA-N 1 2 340.387 0.998 20 30 ECEDLO COc1ncc(C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)c(C)n1 ZINC001010673229 756381287 /nfs/dbraw/zinc/38/12/87/756381287.db2.gz YIWRNYXSWGRYSW-CQSZACIVSA-N 1 2 340.387 0.998 20 30 ECEDLO COc1ncc(C[N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)c(C)n1 ZINC001010673229 756381288 /nfs/dbraw/zinc/38/12/88/756381288.db2.gz YIWRNYXSWGRYSW-CQSZACIVSA-N 1 2 340.387 0.998 20 30 ECEDLO CCn1nnc(C)c1C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001010694329 756408367 /nfs/dbraw/zinc/40/83/67/756408367.db2.gz ZWDPOCLRWIBSPL-CYBMUJFWSA-N 1 2 327.392 0.811 20 30 ECEDLO CCn1nnc(C)c1C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001010694329 756408371 /nfs/dbraw/zinc/40/83/71/756408371.db2.gz ZWDPOCLRWIBSPL-CYBMUJFWSA-N 1 2 327.392 0.811 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CCCN(C(=O)[C@H](C)C#N)C2 ZINC001010763627 756494404 /nfs/dbraw/zinc/49/44/04/756494404.db2.gz OJDXBBNMJFFIGI-GFCCVEGCSA-N 1 2 329.404 0.871 20 30 ECEDLO C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001076504964 756588357 /nfs/dbraw/zinc/58/83/57/756588357.db2.gz ARAKYHMPZXCEEC-KBPBESRZSA-N 1 2 346.431 0.881 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001010920583 756670526 /nfs/dbraw/zinc/67/05/26/756670526.db2.gz FYUZMNOMVOUQOX-UHFFFAOYSA-N 1 2 340.387 0.537 20 30 ECEDLO N#Cc1cc(C(=O)NC2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)c[nH]1 ZINC000990933396 756905616 /nfs/dbraw/zinc/90/56/16/756905616.db2.gz XPRMRIGFHGVERQ-NSHDSACASA-N 1 2 338.371 0.286 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000990931824 756910754 /nfs/dbraw/zinc/91/07/54/756910754.db2.gz XPZKFHWWPDTFSF-UHFFFAOYSA-N 1 2 326.360 0.193 20 30 ECEDLO N#Cc1cc(C(=O)NC2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)c[nH]1 ZINC000990936166 756916248 /nfs/dbraw/zinc/91/62/48/756916248.db2.gz SVENFEDMJWUIDI-CYBMUJFWSA-N 1 2 338.371 0.670 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccsc3)C2)C1=O ZINC001076720803 756923028 /nfs/dbraw/zinc/92/30/28/756923028.db2.gz NMIKJESKVRSCLN-MGPQQGTHSA-N 1 2 335.429 0.310 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccsc3)C2)C1=O ZINC001076720803 756923032 /nfs/dbraw/zinc/92/30/32/756923032.db2.gz NMIKJESKVRSCLN-MGPQQGTHSA-N 1 2 335.429 0.310 20 30 ECEDLO O=C(C#CC1CC1)N1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001011110685 756940439 /nfs/dbraw/zinc/94/04/39/756940439.db2.gz KMDPDXLTVZYOGE-OAHLLOKOSA-N 1 2 326.400 0.530 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cc[nH+]c2)[nH]1 ZINC000996087621 756941464 /nfs/dbraw/zinc/94/14/64/756941464.db2.gz AECWSBCAOVAQDZ-SNPRPXQTSA-N 1 2 338.371 0.645 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)Cc3cc(C)on3)nn2)C1 ZINC001107146170 757037778 /nfs/dbraw/zinc/03/77/78/757037778.db2.gz YSHYJHUZNDSATD-UHFFFAOYSA-N 1 2 328.376 0.313 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnn(CC)n3)C2)nn1 ZINC001098666935 757163743 /nfs/dbraw/zinc/16/37/43/757163743.db2.gz LITUKVQQESNOAN-AWEZNQCLSA-N 1 2 342.407 0.090 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3cncnc3)nn2)C1 ZINC001107160853 757185099 /nfs/dbraw/zinc/18/50/99/757185099.db2.gz MXDQAUCUCJOTGL-UHFFFAOYSA-N 1 2 343.391 0.057 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)C[C@@](C)(O)C=C)nn2)C1 ZINC001107163901 757196757 /nfs/dbraw/zinc/19/67/57/757196757.db2.gz GWZLUKPEQKRUDB-KRWDZBQOSA-N 1 2 349.435 0.281 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001048866690 757229623 /nfs/dbraw/zinc/22/96/23/757229623.db2.gz VXJURCACDXLBEW-JYJNAYRXSA-N 1 2 346.431 0.524 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC001014343605 762530443 /nfs/dbraw/zinc/53/04/43/762530443.db2.gz OBEXCKMMPFZVMZ-MRRJBJDNSA-N 1 2 329.404 0.762 20 30 ECEDLO Cc1cc(CC(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)no1 ZINC001076816804 757238009 /nfs/dbraw/zinc/23/80/09/757238009.db2.gz ZHWYWPNLBZTJOD-QZTJIDSGSA-N 1 2 339.395 0.739 20 30 ECEDLO Cc1cc(CC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)no1 ZINC001076816804 757238012 /nfs/dbraw/zinc/23/80/12/757238012.db2.gz ZHWYWPNLBZTJOD-QZTJIDSGSA-N 1 2 339.395 0.739 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCCn3ccnn3)nn2)C1 ZINC001107178121 757331064 /nfs/dbraw/zinc/33/10/64/757331064.db2.gz IMTXBOYCMBRLLU-UHFFFAOYSA-N 1 2 344.423 0.399 20 30 ECEDLO CCCC[N@@H+]1CCOC[C@H]1C(=O)NC1CN(C(=O)C#CC2CC2)C1 ZINC000996325002 757373187 /nfs/dbraw/zinc/37/31/87/757373187.db2.gz DWACYXPTBODRRS-INIZCTEOSA-N 1 2 333.432 0.228 20 30 ECEDLO CCCC[N@H+]1CCOC[C@H]1C(=O)NC1CN(C(=O)C#CC2CC2)C1 ZINC000996325002 757373195 /nfs/dbraw/zinc/37/31/95/757373195.db2.gz DWACYXPTBODRRS-INIZCTEOSA-N 1 2 333.432 0.228 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@]3(C)CCO[C@H]3C)nn2)C1 ZINC001107186960 757388078 /nfs/dbraw/zinc/38/80/78/757388078.db2.gz HREZEUQGGSRXGB-GUYCJALGSA-N 1 2 331.420 0.589 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)cn1 ZINC001011280795 757395908 /nfs/dbraw/zinc/39/59/08/757395908.db2.gz IHPHWKSXPMDBMJ-UHFFFAOYSA-N 1 2 337.383 0.703 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)cn1 ZINC001011280795 757395914 /nfs/dbraw/zinc/39/59/14/757395914.db2.gz IHPHWKSXPMDBMJ-UHFFFAOYSA-N 1 2 337.383 0.703 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001011329474 757532811 /nfs/dbraw/zinc/53/28/11/757532811.db2.gz MSMPYJUJTALMQI-UHFFFAOYSA-N 1 2 336.395 0.778 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cncs2)C1=O ZINC001032299029 757777948 /nfs/dbraw/zinc/77/79/48/757777948.db2.gz CYWOGRHBQZMCFE-AVGNSLFASA-N 1 2 332.429 0.829 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cncs2)C1=O ZINC001032299029 757777952 /nfs/dbraw/zinc/77/79/52/757777952.db2.gz CYWOGRHBQZMCFE-AVGNSLFASA-N 1 2 332.429 0.829 20 30 ECEDLO Cc1nc(N2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)cc[nH+]1 ZINC001051650710 762588448 /nfs/dbraw/zinc/58/84/48/762588448.db2.gz KRJDHIWAGAHQNA-KBPBESRZSA-N 1 2 326.360 0.354 20 30 ECEDLO C=CCCC[NH+]1CC(n2cc(CNC(=O)Cc3nnc[nH]3)nn2)C1 ZINC001107227972 757983742 /nfs/dbraw/zinc/98/37/42/757983742.db2.gz VUABDAZCJLRIPZ-UHFFFAOYSA-N 1 2 330.396 0.078 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@](C)(NC(C)=O)C3CC3)nn2)C1 ZINC001107229140 757990171 /nfs/dbraw/zinc/99/01/71/757990171.db2.gz DDSVPFOTPBAFOX-KRWDZBQOSA-N 1 2 346.435 0.242 20 30 ECEDLO C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001049112014 757990506 /nfs/dbraw/zinc/99/05/06/757990506.db2.gz YEVHFYBVUBCJMG-GJZGRUSLSA-N 1 2 334.420 0.349 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](CC(C)C)C(N)=O)nn2)C1 ZINC001107241821 757998242 /nfs/dbraw/zinc/99/82/42/757998242.db2.gz GAOUJYAMZODWIX-AWEZNQCLSA-N 1 2 334.424 0.085 20 30 ECEDLO C#CCN1CC(n2cc(CNC(=O)CCCn3cc[nH+]c3)nn2)C1 ZINC001107242574 758000175 /nfs/dbraw/zinc/00/01/75/758000175.db2.gz UQYIWWBCEBYFFE-UHFFFAOYSA-N 1 2 327.392 0.061 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3C=CC=CC=C3)C2)C1=O ZINC001077075478 758101188 /nfs/dbraw/zinc/10/11/88/758101188.db2.gz MEVOEBHSLCIHQN-IXDOHACOSA-N 1 2 343.427 0.233 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3C=CC=CC=C3)C2)C1=O ZINC001077075478 758101201 /nfs/dbraw/zinc/10/12/01/758101201.db2.gz MEVOEBHSLCIHQN-IXDOHACOSA-N 1 2 343.427 0.233 20 30 ECEDLO CN(C)c1nc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)ns1 ZINC001021981310 758125903 /nfs/dbraw/zinc/12/59/03/758125903.db2.gz YOWQHNFTAILNRZ-PHIMTYICSA-N 1 2 345.432 0.854 20 30 ECEDLO COCCc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)no1 ZINC001021991725 758141668 /nfs/dbraw/zinc/14/16/68/758141668.db2.gz WCWHAIBEYSGVNE-TXEJJXNPSA-N 1 2 344.375 0.509 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N1CC[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]21 ZINC001022016658 758166870 /nfs/dbraw/zinc/16/68/70/758166870.db2.gz QQHIJGLWRNIIQX-KCQAQPDRSA-N 1 2 342.399 0.852 20 30 ECEDLO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC001049192518 758261609 /nfs/dbraw/zinc/26/16/09/758261609.db2.gz CMJMNTYMFHMYMR-GJZGRUSLSA-N 1 2 334.420 0.349 20 30 ECEDLO N#Cc1cnc(NC/C=C/CNC(=O)[C@H]2CCc3[nH+]ccn3C2)cn1 ZINC001107394611 758451887 /nfs/dbraw/zinc/45/18/87/758451887.db2.gz NKYIRQAHKCAQSP-AORQRIRUSA-N 1 2 337.387 0.892 20 30 ECEDLO N#Cc1nccc(NC/C=C/CNC(=O)[C@H]2CCc3[nH+]ccn3C2)n1 ZINC001107394751 758453234 /nfs/dbraw/zinc/45/32/34/758453234.db2.gz PBBBUMIOZVYQRL-AORQRIRUSA-N 1 2 337.387 0.314 20 30 ECEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC)C[C@H]2O)cc1 ZINC001077246222 758597682 /nfs/dbraw/zinc/59/76/82/758597682.db2.gz UHTKIGBHIOAESR-APHBMKBZSA-N 1 2 347.415 0.161 20 30 ECEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]2O)cc1 ZINC001077246222 758597688 /nfs/dbraw/zinc/59/76/88/758597688.db2.gz UHTKIGBHIOAESR-APHBMKBZSA-N 1 2 347.415 0.161 20 30 ECEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1 ZINC001077400722 758999591 /nfs/dbraw/zinc/99/95/91/758999591.db2.gz OVQPIZHHJLUFHH-TVFCKZIOSA-N 1 2 328.412 0.571 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1 ZINC001077400722 758999594 /nfs/dbraw/zinc/99/95/94/758999594.db2.gz OVQPIZHHJLUFHH-TVFCKZIOSA-N 1 2 328.412 0.571 20 30 ECEDLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(C(=O)[C@H](C)C#N)CC1 ZINC001011618561 759258035 /nfs/dbraw/zinc/25/80/35/759258035.db2.gz PRWQMCSNQYBNLB-HUUCEWRRSA-N 1 2 336.436 0.318 20 30 ECEDLO CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(C(=O)[C@H](C)C#N)CC1 ZINC001011618561 759258040 /nfs/dbraw/zinc/25/80/40/759258040.db2.gz PRWQMCSNQYBNLB-HUUCEWRRSA-N 1 2 336.436 0.318 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H]2C)c1 ZINC001012053484 759297542 /nfs/dbraw/zinc/29/75/42/759297542.db2.gz XZIGPZUXFMYARQ-BBRMVZONSA-N 1 2 337.383 0.679 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC(NC(=O)c3cccc4[nH+]ccn43)C2)[nH]1 ZINC000995535617 759743457 /nfs/dbraw/zinc/74/34/57/759743457.db2.gz YVEVPHKRVTYJPF-UHFFFAOYSA-N 1 2 334.339 0.788 20 30 ECEDLO CN(C[C@@H](O)CN(C)c1ncccc1C#N)C(=O)Cc1[nH]cc[nH+]1 ZINC001125149286 759829060 /nfs/dbraw/zinc/82/90/60/759829060.db2.gz UGSAXLHDYHZEDR-CYBMUJFWSA-N 1 2 328.376 0.175 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[NH+](Cc1ncnn1CCF)CC2 ZINC001050463342 760307621 /nfs/dbraw/zinc/30/76/21/760307621.db2.gz OZQTUTGVFOWILW-ZDUSSCGKSA-N 1 2 334.399 0.832 20 30 ECEDLO Cn1ncnc1C[NH+]1CCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)CC1 ZINC001050492621 760357102 /nfs/dbraw/zinc/35/71/02/760357102.db2.gz LKKNBMZUPIQUIA-UHFFFAOYSA-N 1 2 339.403 0.753 20 30 ECEDLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001050493546 760360439 /nfs/dbraw/zinc/36/04/39/760360439.db2.gz ZQJAOCQDXGBSIU-RYUDHWBXSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H]([NH2+]Cc1cn([C@@H]2CCN(C(=O)C#CC(C)(C)C)C2)nn1)C(N)=O ZINC001098673468 760393418 /nfs/dbraw/zinc/39/34/18/760393418.db2.gz QQJUAYFPCHHBAM-TZMCWYRMSA-N 1 2 346.435 0.064 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H]2C)n1 ZINC001050520839 760418617 /nfs/dbraw/zinc/41/86/17/760418617.db2.gz ROCUQIFJYJZZNE-YPMHNXCESA-N 1 2 325.376 0.706 20 30 ECEDLO C=CCOCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001050571783 760512420 /nfs/dbraw/zinc/51/24/20/760512420.db2.gz GMNKUMIOFIABIR-ZIAGYGMSSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@H]1O ZINC001048530432 760668888 /nfs/dbraw/zinc/66/88/88/760668888.db2.gz GSAKUQDBGNSJIH-VDERGJSUSA-N 1 2 346.431 0.520 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001060232632 760729941 /nfs/dbraw/zinc/72/99/41/760729941.db2.gz DGFGXMKNKUDDOV-ZNMIVQPWSA-N 1 2 346.431 0.898 20 30 ECEDLO N#CCN1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C2)CC1 ZINC001050761193 760798106 /nfs/dbraw/zinc/79/81/06/760798106.db2.gz HQCXYONGCSMQRW-MRXNPFEDSA-N 1 2 332.448 0.545 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001013041514 760987807 /nfs/dbraw/zinc/98/78/07/760987807.db2.gz DJTSGXFXAJUOGT-CHWSQXEVSA-N 1 2 343.391 0.080 20 30 ECEDLO Cc1nnc(NC(=O)C[N@@H+]2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)s1 ZINC001048727989 761054805 /nfs/dbraw/zinc/05/48/05/761054805.db2.gz QOEIYDDZKHUBEJ-ZMLRMANQSA-N 1 2 348.432 0.335 20 30 ECEDLO Cc1nnc(NC(=O)C[N@H+]2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)s1 ZINC001048727989 761054812 /nfs/dbraw/zinc/05/48/12/761054812.db2.gz QOEIYDDZKHUBEJ-ZMLRMANQSA-N 1 2 348.432 0.335 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccnn1CCOC ZINC001050970389 761248713 /nfs/dbraw/zinc/24/87/13/761248713.db2.gz DXMUTNWJEVUYRZ-OAHLLOKOSA-N 1 2 336.436 0.926 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccnn1CCOC ZINC001050970389 761248715 /nfs/dbraw/zinc/24/87/15/761248715.db2.gz DXMUTNWJEVUYRZ-OAHLLOKOSA-N 1 2 336.436 0.926 20 30 ECEDLO C[C@@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001054526905 768030209 /nfs/dbraw/zinc/03/02/09/768030209.db2.gz GMIOSFRIOLPZGZ-QMHWVQJVSA-N 1 2 348.447 0.362 20 30 ECEDLO C[C@@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001054526905 768030213 /nfs/dbraw/zinc/03/02/13/768030213.db2.gz GMIOSFRIOLPZGZ-QMHWVQJVSA-N 1 2 348.447 0.362 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@H]([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001051024038 761355107 /nfs/dbraw/zinc/35/51/07/761355107.db2.gz MAVKYDPJEVMUDW-GJZGRUSLSA-N 1 2 334.420 0.829 20 30 ECEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CNC(=O)c3ccco3)CC2)C1 ZINC001105734049 761409747 /nfs/dbraw/zinc/40/97/47/761409747.db2.gz XCFQUIBZKRNPSU-UHFFFAOYSA-N 1 2 347.415 0.887 20 30 ECEDLO C[C@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001054542881 768036177 /nfs/dbraw/zinc/03/61/77/768036177.db2.gz INLLZSOIGNTNTB-APIJFGDWSA-N 1 2 329.404 0.929 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccnc2c1nnn2C ZINC001051082872 761457702 /nfs/dbraw/zinc/45/77/02/761457702.db2.gz BVIBNJQNHUMOIZ-LBPRGKRZSA-N 1 2 330.392 0.370 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccnc2c1nnn2C ZINC001051082872 761457706 /nfs/dbraw/zinc/45/77/06/761457706.db2.gz BVIBNJQNHUMOIZ-LBPRGKRZSA-N 1 2 330.392 0.370 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001051087123 761465796 /nfs/dbraw/zinc/46/57/96/761465796.db2.gz PYEMYFBQMMUMEI-NSHDSACASA-N 1 2 331.376 0.670 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001051087123 761465798 /nfs/dbraw/zinc/46/57/98/761465798.db2.gz PYEMYFBQMMUMEI-NSHDSACASA-N 1 2 331.376 0.670 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C[C@@H]1C ZINC001013494176 761486726 /nfs/dbraw/zinc/48/67/26/761486726.db2.gz ZLWSEPFWORPCDR-GXFFZTMASA-N 1 2 340.387 0.880 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2COCC[N@@H+]2CC[C@@H]2CCCO2)nn1 ZINC001051152097 761570988 /nfs/dbraw/zinc/57/09/88/761570988.db2.gz CIUWESMUWQHQAM-CABCVRRESA-N 1 2 349.435 0.464 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2COCC[N@H+]2CC[C@@H]2CCCO2)nn1 ZINC001051152097 761570993 /nfs/dbraw/zinc/57/09/93/761570993.db2.gz CIUWESMUWQHQAM-CABCVRRESA-N 1 2 349.435 0.464 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC000991561915 761611242 /nfs/dbraw/zinc/61/12/42/761611242.db2.gz DRERBIKSKCAKSC-UONOGXRCSA-N 1 2 334.420 0.563 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnc2c(cnn2C)c1 ZINC001051181327 761631644 /nfs/dbraw/zinc/63/16/44/761631644.db2.gz SHMZMCMAJGGENJ-HNNXBMFYSA-N 1 2 329.404 0.975 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnc2c(cnn2C)c1 ZINC001051181327 761631650 /nfs/dbraw/zinc/63/16/50/761631650.db2.gz SHMZMCMAJGGENJ-HNNXBMFYSA-N 1 2 329.404 0.975 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001051185753 761641102 /nfs/dbraw/zinc/64/11/02/761641102.db2.gz YPPOCQYZNNNJLC-LSDHHAIUSA-N 1 2 349.435 0.321 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001051185753 761641105 /nfs/dbraw/zinc/64/11/05/761641105.db2.gz YPPOCQYZNNNJLC-LSDHHAIUSA-N 1 2 349.435 0.321 20 30 ECEDLO C#CCCN1CCOC[C@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001051191595 761655449 /nfs/dbraw/zinc/65/54/49/761655449.db2.gz JOUDRIDRFULCNF-MRXNPFEDSA-N 1 2 339.399 0.721 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2CC[C@@H]2CCOC2)nc1 ZINC001051214311 761704455 /nfs/dbraw/zinc/70/44/55/761704455.db2.gz KQVRATPPOYMGHQ-SJORKVTESA-N 1 2 343.427 0.920 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2CC[C@@H]2CCOC2)nc1 ZINC001051214311 761704460 /nfs/dbraw/zinc/70/44/60/761704460.db2.gz KQVRATPPOYMGHQ-SJORKVTESA-N 1 2 343.427 0.920 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001051230267 761726034 /nfs/dbraw/zinc/72/60/34/761726034.db2.gz HLIQJSHJAISBPF-CVEARBPZSA-N 1 2 339.436 0.017 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001051230267 761726037 /nfs/dbraw/zinc/72/60/37/761726037.db2.gz HLIQJSHJAISBPF-CVEARBPZSA-N 1 2 339.436 0.017 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C(N)=O)cn1 ZINC001051265311 761791746 /nfs/dbraw/zinc/79/17/46/761791746.db2.gz HSMNXZCQOVCIBW-AWEZNQCLSA-N 1 2 332.404 0.577 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C(N)=O)cn1 ZINC001051265311 761791758 /nfs/dbraw/zinc/79/17/58/761791758.db2.gz HSMNXZCQOVCIBW-AWEZNQCLSA-N 1 2 332.404 0.577 20 30 ECEDLO N#Cc1c(F)cccc1N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001051718166 762788356 /nfs/dbraw/zinc/78/83/56/762788356.db2.gz MTEVMCYYRSMYON-ZFWWWQNUSA-N 1 2 343.362 0.719 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001017532211 768089123 /nfs/dbraw/zinc/08/91/23/768089123.db2.gz AGAMOVWDOQPMCO-DZGCQCFKSA-N 1 2 341.415 0.880 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001017532652 768089482 /nfs/dbraw/zinc/08/94/82/768089482.db2.gz CQMBPYKKWUMIMD-ZFWWWQNUSA-N 1 2 341.415 0.880 20 30 ECEDLO Cc1nc(C)n(CC[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C#CC2CC2)n1 ZINC001017540777 768096149 /nfs/dbraw/zinc/09/61/49/768096149.db2.gz OQBHCZDYEUUPGE-CALCHBBNSA-N 1 2 327.432 0.984 20 30 ECEDLO Cc1nc(C)n(CC[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C#CC2CC2)n1 ZINC001017540777 768096155 /nfs/dbraw/zinc/09/61/55/768096155.db2.gz OQBHCZDYEUUPGE-CALCHBBNSA-N 1 2 327.432 0.984 20 30 ECEDLO CN1C[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)CC1=O ZINC001014621458 762918761 /nfs/dbraw/zinc/91/87/61/762918761.db2.gz YBRMLHAGONTHLJ-CABCVRRESA-N 1 2 344.390 0.866 20 30 ECEDLO CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)CC1=O ZINC001014621458 762918764 /nfs/dbraw/zinc/91/87/64/762918764.db2.gz YBRMLHAGONTHLJ-CABCVRRESA-N 1 2 344.390 0.866 20 30 ECEDLO N#Cc1c(Cl)nsc1NC[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001105938192 762940567 /nfs/dbraw/zinc/94/05/67/762940567.db2.gz VERSOKRDSBIXKK-SSDOTTSWSA-N 1 2 340.796 0.523 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001014639329 762949267 /nfs/dbraw/zinc/94/92/67/762949267.db2.gz XMDBJMTUCULESM-STQMWFEESA-N 1 2 329.828 0.424 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001014639329 762949270 /nfs/dbraw/zinc/94/92/70/762949270.db2.gz XMDBJMTUCULESM-STQMWFEESA-N 1 2 329.828 0.424 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nnc(C)o3)C2)c1 ZINC001051817135 763032342 /nfs/dbraw/zinc/03/23/42/763032342.db2.gz NYLAETUNZFKDOY-HNNXBMFYSA-N 1 2 341.371 0.385 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cnsn2)C1 ZINC001051834207 763076172 /nfs/dbraw/zinc/07/61/72/763076172.db2.gz JKOVFQWPUOBKKL-MJBXVCDLSA-N 1 2 338.433 0.446 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001105965461 763082197 /nfs/dbraw/zinc/08/21/97/763082197.db2.gz BIDIVHUZNSFSOT-KGLIPLIRSA-N 1 2 335.408 0.145 20 30 ECEDLO C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001046793423 763129357 /nfs/dbraw/zinc/12/93/57/763129357.db2.gz PFTCVPOICOIVTG-CHWSQXEVSA-N 1 2 332.404 0.179 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2O)C1 ZINC000991745699 763153750 /nfs/dbraw/zinc/15/37/50/763153750.db2.gz HNSGEYLATYVRHT-UONOGXRCSA-N 1 2 346.431 0.777 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]2O)CC1 ZINC000991746885 763159475 /nfs/dbraw/zinc/15/94/75/763159475.db2.gz DUKACIRZTWCDDS-HZPDHXFCSA-N 1 2 346.431 0.708 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001014858865 763318468 /nfs/dbraw/zinc/31/84/68/763318468.db2.gz DFNQSRJQWLSIQJ-JKSUJKDBSA-N 1 2 326.400 0.917 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001014858865 763318477 /nfs/dbraw/zinc/31/84/77/763318477.db2.gz DFNQSRJQWLSIQJ-JKSUJKDBSA-N 1 2 326.400 0.917 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001046968737 763486070 /nfs/dbraw/zinc/48/60/70/763486070.db2.gz NMTZJXMPAOCTQH-VHSXEESVSA-N 1 2 336.770 0.494 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001046968737 763486078 /nfs/dbraw/zinc/48/60/78/763486078.db2.gz NMTZJXMPAOCTQH-VHSXEESVSA-N 1 2 336.770 0.494 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)cc1F ZINC001077536373 768139163 /nfs/dbraw/zinc/13/91/63/768139163.db2.gz GSKYLBFLZMECJP-IEHFGQBSSA-N 1 2 345.374 0.251 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)cc1F ZINC001077536373 768139167 /nfs/dbraw/zinc/13/91/67/768139167.db2.gz GSKYLBFLZMECJP-IEHFGQBSSA-N 1 2 345.374 0.251 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cncnc3C)C2)CC1 ZINC001051989031 763525289 /nfs/dbraw/zinc/52/52/89/763525289.db2.gz BYINEKYJHMPZTN-INIZCTEOSA-N 1 2 327.432 0.640 20 30 ECEDLO Cc1ncc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)cn1 ZINC001051997907 763548229 /nfs/dbraw/zinc/54/82/29/763548229.db2.gz KNIJWKGUBIMYAJ-YOEHRIQHSA-N 1 2 342.447 0.663 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(Cc3ccn(C)n3)CC2)C1 ZINC001051998036 763549981 /nfs/dbraw/zinc/54/99/81/763549981.db2.gz NCZJHBNVYPXFAL-GDBMZVCRSA-N 1 2 330.436 0.298 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(Cc3cccnc3)CC2)C1 ZINC001051998585 763551617 /nfs/dbraw/zinc/55/16/17/763551617.db2.gz VYHJMOYCTUOJGU-NVXWUHKLSA-N 1 2 327.432 0.960 20 30 ECEDLO CN1C(=O)CC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031916919 763560078 /nfs/dbraw/zinc/56/00/78/763560078.db2.gz IVOGDHVRTHHSOI-MRXNPFEDSA-N 1 2 344.390 0.866 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)c3ccnn3C)C2)CC1 ZINC001052030234 763628205 /nfs/dbraw/zinc/62/82/05/763628205.db2.gz KCMOFJLCSDNCPV-IRXDYDNUSA-N 1 2 343.475 0.765 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2nccn2CC)[C@H](OC)C1 ZINC001212185024 763637035 /nfs/dbraw/zinc/63/70/35/763637035.db2.gz LUWZBONICRDSQJ-BFHYXJOUSA-N 1 2 349.435 0.023 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2nccn2CC)[C@H](OC)C1 ZINC001212185024 763637037 /nfs/dbraw/zinc/63/70/37/763637037.db2.gz LUWZBONICRDSQJ-BFHYXJOUSA-N 1 2 349.435 0.023 20 30 ECEDLO CC(C)n1nccc1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052033955 763637940 /nfs/dbraw/zinc/63/79/40/763637940.db2.gz XSVYRELVGGZMLZ-HNNXBMFYSA-N 1 2 330.436 0.820 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccnn3CCOC)C2)CC1 ZINC001052040766 763664010 /nfs/dbraw/zinc/66/40/10/763664010.db2.gz JWYVJGQEEJIXPX-INIZCTEOSA-N 1 2 347.463 0.548 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc4nc[nH]c4n3)C2)CC1 ZINC001052041238 763665306 /nfs/dbraw/zinc/66/53/06/763665306.db2.gz WQAADOBCEVQYRI-CQSZACIVSA-N 1 2 338.415 0.423 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC001017582492 768151857 /nfs/dbraw/zinc/15/18/57/768151857.db2.gz OMWGTGNKRRUXGJ-ZACQAIPSSA-N 1 2 329.444 0.943 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC001017582492 768151863 /nfs/dbraw/zinc/15/18/63/768151863.db2.gz OMWGTGNKRRUXGJ-ZACQAIPSSA-N 1 2 329.444 0.943 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCN(C)C(=O)C3)C2)CC1 ZINC001052045647 763683043 /nfs/dbraw/zinc/68/30/43/763683043.db2.gz VRUYWYASSXNGAX-IRXDYDNUSA-N 1 2 348.491 0.649 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3snnc3CC)C2)CC1 ZINC001052047413 763689874 /nfs/dbraw/zinc/68/98/74/763689874.db2.gz MCZMZQDPDIGAFE-ZDUSSCGKSA-N 1 2 333.461 0.566 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc4ccccn34)C2)CC1 ZINC001052048183 763695614 /nfs/dbraw/zinc/69/56/14/763695614.db2.gz NGCJPSSCEMDEPI-OAHLLOKOSA-N 1 2 338.415 0.690 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3CCCC(=O)N3)C2)CC1 ZINC001052048663 763698051 /nfs/dbraw/zinc/69/80/51/763698051.db2.gz AJAVUPYSIXTQIC-IRXDYDNUSA-N 1 2 346.475 0.287 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccn(CCOC)n3)C2)CC1 ZINC001052049449 763701115 /nfs/dbraw/zinc/70/11/15/763701115.db2.gz LYZOPTCAPURNOA-INIZCTEOSA-N 1 2 347.463 0.548 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(COC)o3)C2)CC1 ZINC001052050410 763706267 /nfs/dbraw/zinc/70/62/67/763706267.db2.gz UNVHQRFMLSKLNW-HNNXBMFYSA-N 1 2 331.416 0.891 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(COC)o3)C2)CC1 ZINC001052050410 763706271 /nfs/dbraw/zinc/70/62/71/763706271.db2.gz UNVHQRFMLSKLNW-HNNXBMFYSA-N 1 2 331.416 0.891 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001054681166 768157353 /nfs/dbraw/zinc/15/73/53/768157353.db2.gz QLZFLKBISBZINK-KOLCDFICSA-N 1 2 326.832 0.925 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)CCc3ccon3)C2)CC1 ZINC001052052590 763717767 /nfs/dbraw/zinc/71/77/67/763717767.db2.gz QREPOUIQNMWNRC-QGZVFWFLSA-N 1 2 330.432 0.849 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(Cc3nnnn3C)CC2)C1 ZINC001052063570 763749114 /nfs/dbraw/zinc/74/91/14/763749114.db2.gz WHEXGVRMWYCQMD-CQSZACIVSA-N 1 2 347.467 0.141 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)CC1 ZINC001052064915 763752897 /nfs/dbraw/zinc/75/28/97/763752897.db2.gz JQDCKWNDMHBCKD-CAOSSQGBSA-N 1 2 339.867 0.850 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)CC1 ZINC001052067261 763759173 /nfs/dbraw/zinc/75/91/73/763759173.db2.gz HJPSPVGQJQFHNL-CVEARBPZSA-N 1 2 334.464 0.402 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)C3(c4cccnc4)CC3)C2)CC1 ZINC001052068350 763761462 /nfs/dbraw/zinc/76/14/62/763761462.db2.gz GHEREQTXBCQMRA-KRWDZBQOSA-N 1 2 339.443 0.855 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(C4CC4)n[nH]3)C2)CC1 ZINC001052087174 763817574 /nfs/dbraw/zinc/81/75/74/763817574.db2.gz OBHSNHJYBNODNU-CQSZACIVSA-N 1 2 328.420 0.643 20 30 ECEDLO C#Cc1cncc(C(=O)NCC2C[NH+](CC(=O)N3CCCC3)C2)c1 ZINC001031963332 763826018 /nfs/dbraw/zinc/82/60/18/763826018.db2.gz KBTMJTHMJPSDAE-UHFFFAOYSA-N 1 2 326.400 0.347 20 30 ECEDLO CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[C@H](C)NC(=O)C#CC1CC1 ZINC001077473339 763831789 /nfs/dbraw/zinc/83/17/89/763831789.db2.gz OUPIMZATPVJVFQ-RDJZCZTQSA-N 1 2 349.475 0.912 20 30 ECEDLO CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[C@H](C)NC(=O)C#CC1CC1 ZINC001077473339 763831795 /nfs/dbraw/zinc/83/17/95/763831795.db2.gz OUPIMZATPVJVFQ-RDJZCZTQSA-N 1 2 349.475 0.912 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc(C4CC4)nc3)C2)CC1 ZINC001052094019 763839371 /nfs/dbraw/zinc/83/93/71/763839371.db2.gz VTFKPPRBLKJSTJ-KRWDZBQOSA-N 1 2 339.443 0.819 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnc(C4CC4)nc3)C2)CC1 ZINC001052094019 763839378 /nfs/dbraw/zinc/83/93/78/763839378.db2.gz VTFKPPRBLKJSTJ-KRWDZBQOSA-N 1 2 339.443 0.819 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c(C)nn(C)c3OC)C2)CC1 ZINC001052094474 763839988 /nfs/dbraw/zinc/83/99/88/763839988.db2.gz UCSILRLKAHEGLK-HNNXBMFYSA-N 1 2 345.447 0.202 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3c(C)nn(C)c3OC)C2)CC1 ZINC001052094474 763839996 /nfs/dbraw/zinc/83/99/96/763839996.db2.gz UCSILRLKAHEGLK-HNNXBMFYSA-N 1 2 345.447 0.202 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3CCC(=O)N3)C2)CC1 ZINC001052096067 763845117 /nfs/dbraw/zinc/84/51/17/763845117.db2.gz DPVNLCQBVGJAGD-HZPDHXFCSA-N 1 2 334.464 0.450 20 30 ECEDLO CC(C)n1cc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)nn1 ZINC001052103945 763870270 /nfs/dbraw/zinc/87/02/70/763870270.db2.gz WGIKJTWBWYYWRF-AWEZNQCLSA-N 1 2 331.424 0.215 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)CCc3cnccn3)C2)CC1 ZINC001052104912 763874329 /nfs/dbraw/zinc/87/43/29/763874329.db2.gz BEQMVMMVDMJZBF-SFHVURJKSA-N 1 2 341.459 0.651 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCN(CCF)CC3)C2)cn1 ZINC001052108453 763891540 /nfs/dbraw/zinc/89/15/40/763891540.db2.gz MSCUQAUQTMAMCQ-KRWDZBQOSA-N 1 2 330.407 0.865 20 30 ECEDLO CN(C(=O)[C@H]1CCCO1)[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC001047295331 763911309 /nfs/dbraw/zinc/91/13/09/763911309.db2.gz KZOQAXWRIYHBNV-YESZJQIVSA-N 1 2 347.390 0.880 20 30 ECEDLO CN(C(=O)[C@H]1CCCO1)[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC001047295331 763911316 /nfs/dbraw/zinc/91/13/16/763911316.db2.gz KZOQAXWRIYHBNV-YESZJQIVSA-N 1 2 347.390 0.880 20 30 ECEDLO CN(C(=O)[C@@H]1CCCO1)[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047295784 763912818 /nfs/dbraw/zinc/91/28/18/763912818.db2.gz SKKABBAWPUIXGT-ULQDDVLXSA-N 1 2 329.400 0.741 20 30 ECEDLO CN(C(=O)[C@@H]1CCCO1)[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047295784 763912822 /nfs/dbraw/zinc/91/28/22/763912822.db2.gz SKKABBAWPUIXGT-ULQDDVLXSA-N 1 2 329.400 0.741 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)CCN3CCCC3=O)C2)CC1 ZINC001052116975 763924997 /nfs/dbraw/zinc/92/49/97/763924997.db2.gz CIMHPKXEULFFLE-QGZVFWFLSA-N 1 2 346.475 0.241 20 30 ECEDLO Cn1ncc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)c1C1CC1 ZINC001052123860 763951172 /nfs/dbraw/zinc/95/11/72/763951172.db2.gz RREOZLYVXIBCRF-HNNXBMFYSA-N 1 2 342.447 0.653 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ncccc3OCC)C2)CC1 ZINC001052127297 763956441 /nfs/dbraw/zinc/95/64/41/763956441.db2.gz VHBOSGIGGLHVAF-MRXNPFEDSA-N 1 2 342.443 0.946 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ncccc3OCC)C2)CC1 ZINC001052127297 763956444 /nfs/dbraw/zinc/95/64/44/763956444.db2.gz VHBOSGIGGLHVAF-MRXNPFEDSA-N 1 2 342.443 0.946 20 30 ECEDLO CN(C(=O)[C@H]1CCOC1)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047321932 763989954 /nfs/dbraw/zinc/98/99/54/763989954.db2.gz LCLXNZCBJGUMQP-BZSNNMDCSA-N 1 2 328.412 0.578 20 30 ECEDLO CN(C(=O)[C@H]1CCOC1)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047321932 763989957 /nfs/dbraw/zinc/98/99/57/763989957.db2.gz LCLXNZCBJGUMQP-BZSNNMDCSA-N 1 2 328.412 0.578 20 30 ECEDLO Cc1nc(C(=O)N(C)[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)c[nH]1 ZINC001047325318 764002758 /nfs/dbraw/zinc/00/27/58/764002758.db2.gz AFUOLHUOJAKTNX-GJZGRUSLSA-N 1 2 345.428 0.969 20 30 ECEDLO Cc1nc(C(=O)N(C)[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)c[nH]1 ZINC001047325318 764002765 /nfs/dbraw/zinc/00/27/65/764002765.db2.gz AFUOLHUOJAKTNX-GJZGRUSLSA-N 1 2 345.428 0.969 20 30 ECEDLO Cc1nc(C(=O)N(C)[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)c[nH]1 ZINC001047327086 764007314 /nfs/dbraw/zinc/00/73/14/764007314.db2.gz CQQBMASYPOQSQR-ROUUACIJSA-N 1 2 338.411 0.887 20 30 ECEDLO Cc1nc(C(=O)N(C)[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)c[nH]1 ZINC001047327086 764007321 /nfs/dbraw/zinc/00/73/21/764007321.db2.gz CQQBMASYPOQSQR-ROUUACIJSA-N 1 2 338.411 0.887 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001015174623 764073274 /nfs/dbraw/zinc/07/32/74/764073274.db2.gz NJQMOWPIEHYUHS-DGCLKSJQSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@H](c1cnccn1)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001047354398 764092217 /nfs/dbraw/zinc/09/22/17/764092217.db2.gz VMBSEXFHZNEGOG-RLCCDNCMSA-N 1 2 340.387 0.555 20 30 ECEDLO C[C@H](c1cnccn1)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001047354398 764092225 /nfs/dbraw/zinc/09/22/25/764092225.db2.gz VMBSEXFHZNEGOG-RLCCDNCMSA-N 1 2 340.387 0.555 20 30 ECEDLO C#CCOc1ccc(C(=O)NCC2C[NH+]([C@@H]3CCNC3=O)C2)cc1 ZINC001032033245 764216871 /nfs/dbraw/zinc/21/68/71/764216871.db2.gz SAAJBRIFIXQKQA-MRXNPFEDSA-N 1 2 327.384 0.249 20 30 ECEDLO C=CCn1cc(C(=O)NCC2C[NH+](Cc3cc(OC)ns3)C2)nn1 ZINC001032035526 764223458 /nfs/dbraw/zinc/22/34/58/764223458.db2.gz DEBVAIBUWIIEBM-UHFFFAOYSA-N 1 2 348.432 0.791 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NC[C@H](O)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001106066433 764274794 /nfs/dbraw/zinc/27/47/94/764274794.db2.gz DISVCIQKJOKOHG-KBPBESRZSA-N 1 2 347.463 0.956 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NC[C@H](O)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106066433 764274802 /nfs/dbraw/zinc/27/48/02/764274802.db2.gz DISVCIQKJOKOHG-KBPBESRZSA-N 1 2 347.463 0.956 20 30 ECEDLO C[C@H]1[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1C(=O)c1cc(C#N)c[nH]1 ZINC001015263695 764276410 /nfs/dbraw/zinc/27/64/10/764276410.db2.gz XEXXEFSBWSTQIN-SMDDNHRTSA-N 1 2 340.387 0.961 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3nonc3C)C2)nn1 ZINC001098762833 764284045 /nfs/dbraw/zinc/28/40/45/764284045.db2.gz PNNYSRLDGXXZKK-AWEZNQCLSA-N 1 2 343.391 0.099 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)n([C@H](C)C3CC3)n2)C1 ZINC001047437227 764341939 /nfs/dbraw/zinc/34/19/39/764341939.db2.gz OBLSPYBTYLNTTI-COXVUDFISA-N 1 2 330.432 0.913 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)n([C@H](C)C3CC3)n2)C1 ZINC001047437227 764341945 /nfs/dbraw/zinc/34/19/45/764341945.db2.gz OBLSPYBTYLNTTI-COXVUDFISA-N 1 2 330.432 0.913 20 30 ECEDLO C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001052385249 764384436 /nfs/dbraw/zinc/38/44/36/764384436.db2.gz RPXDRECOEOVLGA-RYUDHWBXSA-N 1 2 340.387 0.676 20 30 ECEDLO CN(C(=O)c1cnco1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047476854 764454180 /nfs/dbraw/zinc/45/41/80/764454180.db2.gz QPSCTMFIOPXBHL-GJZGRUSLSA-N 1 2 326.356 0.864 20 30 ECEDLO CN(C(=O)c1cnco1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047476854 764454185 /nfs/dbraw/zinc/45/41/85/764454185.db2.gz QPSCTMFIOPXBHL-GJZGRUSLSA-N 1 2 326.356 0.864 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3cocc3C)C2)C1=O ZINC001047488520 764490814 /nfs/dbraw/zinc/49/08/14/764490814.db2.gz ASKIFPYQQPOGHK-JYJNAYRXSA-N 1 2 347.415 0.492 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3cocc3C)C2)C1=O ZINC001047488520 764490822 /nfs/dbraw/zinc/49/08/22/764490822.db2.gz ASKIFPYQQPOGHK-JYJNAYRXSA-N 1 2 347.415 0.492 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C3(C)CC=CC3)C2)C1=O ZINC001047515139 764562445 /nfs/dbraw/zinc/56/24/45/764562445.db2.gz CCJLPNVAGZYPBE-PMPSAXMXSA-N 1 2 347.459 0.633 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C3(C)CC=CC3)C2)C1=O ZINC001047515139 764562451 /nfs/dbraw/zinc/56/24/51/764562451.db2.gz CCJLPNVAGZYPBE-PMPSAXMXSA-N 1 2 347.459 0.633 20 30 ECEDLO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@H+](CC(=O)NC3CCCC3)C[C@@H]2O)C1 ZINC001047516885 764566848 /nfs/dbraw/zinc/56/68/48/764566848.db2.gz PMHRIZBRIDWSKL-HOTGVXAUSA-N 1 2 349.475 0.905 20 30 ECEDLO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@@H+](CC(=O)NC3CCCC3)C[C@@H]2O)C1 ZINC001047516885 764566853 /nfs/dbraw/zinc/56/68/53/764566853.db2.gz PMHRIZBRIDWSKL-HOTGVXAUSA-N 1 2 349.475 0.905 20 30 ECEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCCS(=O)(=O)C2)[C@H]1C ZINC001088964334 764640873 /nfs/dbraw/zinc/64/08/73/764640873.db2.gz WIDZQQVHNVBXNZ-KFWWJZLASA-N 1 2 326.462 0.804 20 30 ECEDLO CC#CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CCCS(=O)(=O)C2)[C@H]1C ZINC001088964334 764640876 /nfs/dbraw/zinc/64/08/76/764640876.db2.gz WIDZQQVHNVBXNZ-KFWWJZLASA-N 1 2 326.462 0.804 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)[C@@H]1C ZINC001088969212 764659418 /nfs/dbraw/zinc/65/94/18/764659418.db2.gz MNFDIDMGRNXPFX-OLZOCXBDSA-N 1 2 332.404 0.585 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](CC(=O)NC)[C@@H]1C ZINC001088969212 764659422 /nfs/dbraw/zinc/65/94/22/764659422.db2.gz MNFDIDMGRNXPFX-OLZOCXBDSA-N 1 2 332.404 0.585 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C ZINC001052549917 764738448 /nfs/dbraw/zinc/73/84/48/764738448.db2.gz XQVYODQBFNSGES-SWLSCSKDSA-N 1 2 328.416 0.885 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C(F)(F)F)n2)C1 ZINC001047577641 764752974 /nfs/dbraw/zinc/75/29/74/764752974.db2.gz SWTJATVKQNDZAE-RYUDHWBXSA-N 1 2 327.306 0.851 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C(F)(F)F)n2)C1 ZINC001047577641 764752979 /nfs/dbraw/zinc/75/29/79/764752979.db2.gz SWTJATVKQNDZAE-RYUDHWBXSA-N 1 2 327.306 0.851 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2C[NH+](C[C@H]3CCS(=O)(=O)C3)C2)nc1 ZINC001032135385 764784647 /nfs/dbraw/zinc/78/46/47/764784647.db2.gz SJZLGJGFIZVNHQ-CQSZACIVSA-N 1 2 347.440 0.159 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H](C)[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001052597876 764823928 /nfs/dbraw/zinc/82/39/28/764823928.db2.gz BQUMCROTUVXTFK-HOTGVXAUSA-N 1 2 346.431 0.524 20 30 ECEDLO C#CCOCCC(=O)N1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001052597746 764824775 /nfs/dbraw/zinc/82/47/75/764824775.db2.gz ATAOFWNWTUZHCD-ZIAGYGMSSA-N 1 2 332.404 0.203 20 30 ECEDLO COCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccc(C#N)nn2)C1 ZINC001052718543 765038495 /nfs/dbraw/zinc/03/84/95/765038495.db2.gz HXPSHURNZNTDRF-CHWSQXEVSA-N 1 2 341.375 0.135 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2nnnn2C)CC1 ZINC001052723502 765044456 /nfs/dbraw/zinc/04/44/56/765044456.db2.gz SSBKMZRHKCNCPQ-MJBXVCDLSA-N 1 2 334.424 0.272 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2nnnn2C)CC1 ZINC001052723502 765044467 /nfs/dbraw/zinc/04/44/67/765044467.db2.gz SSBKMZRHKCNCPQ-MJBXVCDLSA-N 1 2 334.424 0.272 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ncccn2)C1 ZINC001052727207 765047419 /nfs/dbraw/zinc/04/74/19/765047419.db2.gz IKEUNKLLHXUBIO-YNEHKIRRSA-N 1 2 325.376 0.776 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2nnnn2C)CC1 ZINC001052787318 765121120 /nfs/dbraw/zinc/12/11/20/765121120.db2.gz ICSADHJRUAEHFT-DZKIICNBSA-N 1 2 348.451 0.662 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2nnnn2C)CC1 ZINC001052787318 765121126 /nfs/dbraw/zinc/12/11/26/765121126.db2.gz ICSADHJRUAEHFT-DZKIICNBSA-N 1 2 348.451 0.662 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(OC)nn3)C2)c1 ZINC001015679129 765149772 /nfs/dbraw/zinc/14/97/72/765149772.db2.gz UQMMDGAONQABSU-OAHLLOKOSA-N 1 2 337.383 0.866 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(OC)nn3)C2)c1 ZINC001015679129 765149778 /nfs/dbraw/zinc/14/97/78/765149778.db2.gz UQMMDGAONQABSU-OAHLLOKOSA-N 1 2 337.383 0.866 20 30 ECEDLO C=CCOCC(=O)NC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001052813294 765167859 /nfs/dbraw/zinc/16/78/59/765167859.db2.gz GPZGCTROCBXUJS-ZIAGYGMSSA-N 1 2 334.420 0.756 20 30 ECEDLO C=CCOCC(=O)NC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001052813294 765167865 /nfs/dbraw/zinc/16/78/65/765167865.db2.gz GPZGCTROCBXUJS-ZIAGYGMSSA-N 1 2 334.420 0.756 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000992031378 765218081 /nfs/dbraw/zinc/21/80/81/765218081.db2.gz LCTPGGCZRVNFRO-YOEHRIQHSA-N 1 2 346.431 0.661 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000992037939 765238227 /nfs/dbraw/zinc/23/82/27/765238227.db2.gz LISZZMAHCVOFAS-HOCLYGCPSA-N 1 2 332.404 0.581 20 30 ECEDLO C#CCOCCC(=O)NC[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001052865500 765250857 /nfs/dbraw/zinc/25/08/57/765250857.db2.gz AGTQAHTWSUKVQJ-CABCVRRESA-N 1 2 332.404 0.134 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001053107957 765584975 /nfs/dbraw/zinc/58/49/75/765584975.db2.gz DXUJEXBKNBPWIJ-UKRRQHHQSA-N 1 2 346.431 0.511 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001017704231 768308437 /nfs/dbraw/zinc/30/84/37/768308437.db2.gz DMSNJARZJVQXFN-BETUJISGSA-N 1 2 326.356 0.335 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001017704231 768308443 /nfs/dbraw/zinc/30/84/43/768308443.db2.gz DMSNJARZJVQXFN-BETUJISGSA-N 1 2 326.356 0.335 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001053269030 765873892 /nfs/dbraw/zinc/87/38/92/765873892.db2.gz UTWYEABWDZMPCF-UONOGXRCSA-N 1 2 332.404 0.203 20 30 ECEDLO N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001017758235 768349898 /nfs/dbraw/zinc/34/98/98/768349898.db2.gz QDYQDWNCQWOWBP-TWMKSMIVSA-N 1 2 348.447 0.065 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1CNC(=O)CSCC#N ZINC001053504884 766251195 /nfs/dbraw/zinc/25/11/95/766251195.db2.gz VOHVNFJNQCHNJQ-NEPJUHHUSA-N 1 2 335.433 0.420 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)N1CCCCC1=O)CCO2 ZINC001053540931 766306168 /nfs/dbraw/zinc/30/61/68/766306168.db2.gz LXBKSLXNUOROPI-OAHLLOKOSA-N 1 2 335.448 0.877 20 30 ECEDLO C=CCCC1(C(=O)NCC2(O)CN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001045772777 766351306 /nfs/dbraw/zinc/35/13/06/766351306.db2.gz NTRCLEOBWMWNDG-UHFFFAOYSA-N 1 2 346.431 0.697 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001045777182 766357186 /nfs/dbraw/zinc/35/71/86/766357186.db2.gz FRQCLTJOYHUWAL-MRXNPFEDSA-N 1 2 334.420 0.552 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC2(C[NH+](CCOC)C2)O1 ZINC001053600685 766409005 /nfs/dbraw/zinc/40/90/05/766409005.db2.gz PCWYKDDBHGSFQT-XHSDSOJGSA-N 1 2 338.448 0.964 20 30 ECEDLO N#CCN1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCc3c[nH+]cn3C1)O2 ZINC001053619761 766450543 /nfs/dbraw/zinc/45/05/43/766450543.db2.gz WIJGTRFCWXYVTM-DZGCQCFKSA-N 1 2 329.404 0.319 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccnc3c1CC(=O)N3)O2 ZINC001053623914 766463011 /nfs/dbraw/zinc/46/30/11/766463011.db2.gz DJSFUXLXZMLWLY-LBPRGKRZSA-N 1 2 342.399 0.725 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCN(C(C)=O)C1)O2 ZINC001053625987 766467638 /nfs/dbraw/zinc/46/76/38/766467638.db2.gz KWOSUZSZFBGZSR-HZPDHXFCSA-N 1 2 335.448 0.781 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC2(CN(CC#N)C2)O1 ZINC001053665707 766540913 /nfs/dbraw/zinc/54/09/13/766540913.db2.gz VFLCIAMYSIKGPI-MGPQQGTHSA-N 1 2 329.404 0.397 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC2(C[NH+](CCOC)C2)O1 ZINC001053675591 766557974 /nfs/dbraw/zinc/55/79/74/766557974.db2.gz PSSXOEKNIZUDSX-PMPSAXMXSA-N 1 2 338.448 0.964 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCN(C(=O)CC)C1)O2 ZINC001053688364 766593507 /nfs/dbraw/zinc/59/35/07/766593507.db2.gz PIAOEXXJBCKAJO-GJZGRUSLSA-N 1 2 335.448 0.781 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(OC)ccn2)C[C@H]1OC ZINC001212261333 766643330 /nfs/dbraw/zinc/64/33/30/766643330.db2.gz ZZWLQSKYZWKMMU-IAGOWNOFSA-N 1 2 347.415 0.446 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2cc(OC)ccn2)C[C@H]1OC ZINC001212261333 766643336 /nfs/dbraw/zinc/64/33/36/766643336.db2.gz ZZWLQSKYZWKMMU-IAGOWNOFSA-N 1 2 347.415 0.446 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3CCCc4n[nH]cc43)CC2)C1 ZINC001046029745 766695591 /nfs/dbraw/zinc/69/55/91/766695591.db2.gz AJRQEJUYIYNGDX-HUUCEWRRSA-N 1 2 342.447 0.572 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cnn(C4CCC4)c3)CC2)C1 ZINC001046029895 766695688 /nfs/dbraw/zinc/69/56/88/766695688.db2.gz DWIOJRXCSVJPQH-KRWDZBQOSA-N 1 2 342.447 0.964 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3ccnc4[nH]cnc43)CC2)C1 ZINC001046033858 766711910 /nfs/dbraw/zinc/71/19/10/766711910.db2.gz KSBNCSBZFAWVHM-ZDUSSCGKSA-N 1 2 339.403 0.314 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)CCc3ccncn3)CC2)C1 ZINC001046034235 766713447 /nfs/dbraw/zinc/71/34/47/766713447.db2.gz QCQIWIFPTXSOHN-INIZCTEOSA-N 1 2 328.420 0.151 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cnn4ccncc34)CC2)C1 ZINC001046035596 766721501 /nfs/dbraw/zinc/72/15/01/766721501.db2.gz QFQZCZFTGNJJDO-AWEZNQCLSA-N 1 2 339.403 0.085 20 30 ECEDLO CN(C(=O)Cn1cc[nH+]c1)C1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001016686080 766728514 /nfs/dbraw/zinc/72/85/14/766728514.db2.gz LMYNEKWNSBTABV-UHFFFAOYSA-N 1 2 326.360 0.502 20 30 ECEDLO Cc1cc(OCC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)no1 ZINC001046037740 766734947 /nfs/dbraw/zinc/73/49/47/766734947.db2.gz XPELHYDFPVYSJA-AWEZNQCLSA-N 1 2 333.392 0.104 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3CCc4nccn4C3)CC2)C1 ZINC001046040042 766745110 /nfs/dbraw/zinc/74/51/10/766745110.db2.gz DQPYMSIRBMRYDF-HZPDHXFCSA-N 1 2 342.447 0.188 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)C3CCC(C(N)=O)CC3)CC2)C1 ZINC001046042393 766755099 /nfs/dbraw/zinc/75/50/99/766755099.db2.gz YTYYYGQRECPSEX-UYSNPLJNSA-N 1 2 347.463 0.020 20 30 ECEDLO Cc1cc(C)n(CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)n1 ZINC001046045499 766771876 /nfs/dbraw/zinc/77/18/76/766771876.db2.gz YJCUBAUGNXSIEY-INIZCTEOSA-N 1 2 330.436 0.242 20 30 ECEDLO C[C@H](CC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1)c1cnn(C)c1 ZINC001046045947 766772950 /nfs/dbraw/zinc/77/29/50/766772950.db2.gz RSINEEITHQMTCW-NVXWUHKLSA-N 1 2 344.463 0.656 20 30 ECEDLO CCOc1cc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)ccn1 ZINC001046061304 766830066 /nfs/dbraw/zinc/83/00/66/766830066.db2.gz LNUYYNFBDOAVGA-INIZCTEOSA-N 1 2 343.431 0.836 20 30 ECEDLO COc1cc(CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)ccn1 ZINC001046064413 766844065 /nfs/dbraw/zinc/84/40/65/766844065.db2.gz MXRRUNMJDCVJPF-MRXNPFEDSA-N 1 2 343.431 0.375 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cn1cccc(C)c1=O)CO2 ZINC001053801462 766885541 /nfs/dbraw/zinc/88/55/41/766885541.db2.gz NPKOWQUHRVBSAZ-HNNXBMFYSA-N 1 2 331.416 0.692 20 30 ECEDLO C=CCN1CC2(C1)C[C@@H](NC(=O)c1cc([C@@H]3CCC[N@H+]3C)n[nH]1)CO2 ZINC001053805516 766893754 /nfs/dbraw/zinc/89/37/54/766893754.db2.gz SSXWIJISOPIXKP-CJNGLKHVSA-N 1 2 345.447 0.936 20 30 ECEDLO C=CCN1CC2(C1)C[C@@H](NC(=O)c1cc([C@@H]3CCC[N@@H+]3C)n[nH]1)CO2 ZINC001053805516 766893763 /nfs/dbraw/zinc/89/37/63/766893763.db2.gz SSXWIJISOPIXKP-CJNGLKHVSA-N 1 2 345.447 0.936 20 30 ECEDLO CC(C)n1cc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)cn1 ZINC001046076248 766902168 /nfs/dbraw/zinc/90/21/68/766902168.db2.gz DIAYMILNWLNKNX-MRXNPFEDSA-N 1 2 330.436 0.820 20 30 ECEDLO Cn1cncc1CCC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046080257 766915842 /nfs/dbraw/zinc/91/58/42/766915842.db2.gz DIWLWHLOCMHZOC-INIZCTEOSA-N 1 2 330.436 0.095 20 30 ECEDLO COc1ccccc1CC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046083509 766922879 /nfs/dbraw/zinc/92/28/79/766922879.db2.gz SAHWOZPHWJENIP-KRWDZBQOSA-N 1 2 342.443 0.980 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3nc[nH]c3n1)CO2 ZINC001053843919 766998634 /nfs/dbraw/zinc/99/86/34/766998634.db2.gz ZKKFIGXVSFVAEQ-LBPRGKRZSA-N 1 2 325.372 0.554 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)n1cnc(C)c1)CO2 ZINC001053844037 766998812 /nfs/dbraw/zinc/99/88/12/766998812.db2.gz BVQOAOZAZYSBMZ-HNNXBMFYSA-N 1 2 330.432 0.909 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc(C(N)=O)c1)CO2 ZINC001053849753 767015232 /nfs/dbraw/zinc/01/52/32/767015232.db2.gz SYABPPYOPNWVTK-OAHLLOKOSA-N 1 2 327.384 0.382 20 30 ECEDLO C=C(C)CN1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)CO2 ZINC001053853157 767026140 /nfs/dbraw/zinc/02/61/40/767026140.db2.gz XZOLTTCUSJSGQV-LSDHHAIUSA-N 1 2 330.432 0.981 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1nc([C@H](C)OC)no1 ZINC001127605321 767143761 /nfs/dbraw/zinc/14/37/61/767143761.db2.gz XSIOTLLUBKPKSY-XQQFMLRXSA-N 1 2 338.408 0.964 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1ccccc1C(N)=O)CO2 ZINC001053888438 767220232 /nfs/dbraw/zinc/22/02/32/767220232.db2.gz JZQATRGBMAXGAH-HNNXBMFYSA-N 1 2 341.411 0.311 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1OC ZINC001212337662 767254026 /nfs/dbraw/zinc/25/40/26/767254026.db2.gz ZZKGTJVUWIZWHN-VXGBXAGGSA-N 1 2 331.844 0.669 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1OC ZINC001212337662 767254028 /nfs/dbraw/zinc/25/40/28/767254028.db2.gz ZZKGTJVUWIZWHN-VXGBXAGGSA-N 1 2 331.844 0.669 20 30 ECEDLO C[C@@]1(NC(=O)[C@H]2CCNC2=O)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046540312 767291030 /nfs/dbraw/zinc/29/10/30/767291030.db2.gz WQBCKHRFXSGKSI-MAUKXSAKSA-N 1 2 344.390 0.914 20 30 ECEDLO C[C@@]1(NC(=O)[C@H]2CCNC2=O)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046540312 767291033 /nfs/dbraw/zinc/29/10/33/767291033.db2.gz WQBCKHRFXSGKSI-MAUKXSAKSA-N 1 2 344.390 0.914 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1(c3cc(C)no3)CC1)CO2 ZINC001053903893 767309335 /nfs/dbraw/zinc/30/93/35/767309335.db2.gz AGSFYHRYQFWJHD-AWEZNQCLSA-N 1 2 329.400 0.997 20 30 ECEDLO Cc1nc(NC[C@@H](O)CNC(=O)CCc2c[nH]c[nH+]2)ccc1C#N ZINC001106150625 767366005 /nfs/dbraw/zinc/36/60/05/767366005.db2.gz ZDOXQZBEKHFKPE-CQSZACIVSA-N 1 2 328.376 0.507 20 30 ECEDLO Cc1nc(NC[C@@H](O)CNC(=O)CCc2c[nH+]c[nH]2)ccc1C#N ZINC001106150625 767366012 /nfs/dbraw/zinc/36/60/12/767366012.db2.gz ZDOXQZBEKHFKPE-CQSZACIVSA-N 1 2 328.376 0.507 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)NC[C@H](O)CNc2cncc(C#N)n2)c[nH+]1 ZINC001106159080 767410116 /nfs/dbraw/zinc/41/01/16/767410116.db2.gz DVBZPLIRAVEQEA-CYBMUJFWSA-N 1 2 343.391 0.178 20 30 ECEDLO N#Cc1cccnc1NC[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001106158376 767424874 /nfs/dbraw/zinc/42/48/74/767424874.db2.gz RDIMAJDAVGPXCZ-YNEHKIRRSA-N 1 2 326.360 0.369 20 30 ECEDLO N#Cc1cccnc1NC[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001106158376 767424876 /nfs/dbraw/zinc/42/48/76/767424876.db2.gz RDIMAJDAVGPXCZ-YNEHKIRRSA-N 1 2 326.360 0.369 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc3cccnn31)CO2 ZINC001053949076 767430884 /nfs/dbraw/zinc/43/08/84/767430884.db2.gz XKTILJVWDMWUTL-ZDUSSCGKSA-N 1 2 325.372 0.326 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H]1CCCCN1C(C)=O)CO2 ZINC001053951688 767436916 /nfs/dbraw/zinc/43/69/16/767436916.db2.gz CNJDRHYRSFIXRU-IAGOWNOFSA-N 1 2 347.459 0.760 20 30 ECEDLO N#CCN1CC2(C1)C[C@@H](NC(=O)c1ccc(-n3cc[nH+]c3)cn1)CO2 ZINC001053979445 767517507 /nfs/dbraw/zinc/51/75/07/767517507.db2.gz QSDVQQDAYKEOQW-CYBMUJFWSA-N 1 2 338.371 0.364 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001053985735 767535630 /nfs/dbraw/zinc/53/56/30/767535630.db2.gz XZXLFEOECYUCGK-KGLIPLIRSA-N 1 2 345.399 0.048 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cncc(C(N)=O)c1)CO2 ZINC001054009881 767590912 /nfs/dbraw/zinc/59/09/12/767590912.db2.gz HHACQACXYKWVIK-CQSZACIVSA-N 1 2 330.388 0.330 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c(OC)ncnc1OC)CO2 ZINC001054021656 767616159 /nfs/dbraw/zinc/61/61/59/767616159.db2.gz QSEMLKPISRBQCK-GFCCVEGCSA-N 1 2 346.387 0.090 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C(N)=O)nc1)CO2 ZINC001054024493 767624029 /nfs/dbraw/zinc/62/40/29/767624029.db2.gz QWXWCOBKNDAHRU-CYBMUJFWSA-N 1 2 330.388 0.330 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001054058969 767655892 /nfs/dbraw/zinc/65/58/92/767655892.db2.gz CEFFEMREXOQYMN-INIZCTEOSA-N 1 2 336.395 0.904 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001054058969 767655896 /nfs/dbraw/zinc/65/58/96/767655896.db2.gz CEFFEMREXOQYMN-INIZCTEOSA-N 1 2 336.395 0.904 20 30 ECEDLO CN(CCOCCNc1cncc(C#N)n1)C(=O)Cc1c[nH+]cn1C ZINC001127347781 768380765 /nfs/dbraw/zinc/38/07/65/768380765.db2.gz RYWZVMCLFGFGBJ-UHFFFAOYSA-N 1 2 343.391 0.211 20 30 ECEDLO C[C@@H](CCNc1ccnc(C#N)n1)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001106583445 768462997 /nfs/dbraw/zinc/46/29/97/768462997.db2.gz ZHJPXGWNEQTEME-NWDGAFQWSA-N 1 2 339.403 0.920 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCn3cc(C)cn3)C2)nn1 ZINC001098789399 768572845 /nfs/dbraw/zinc/57/28/45/768572845.db2.gz CNXDEZHPAOXAOM-INIZCTEOSA-N 1 2 341.419 0.370 20 30 ECEDLO N#Cc1nccnc1N[C@@H]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]12 ZINC001060542106 768674488 /nfs/dbraw/zinc/67/44/88/768674488.db2.gz YQVXAWNVFPBHNO-JHJVBQTASA-N 1 2 337.387 0.963 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NC1CN(Cc2ccc(OCC#N)cc2)C1 ZINC001031260006 768979866 /nfs/dbraw/zinc/97/98/66/768979866.db2.gz JAURYPDOCPVLPR-UHFFFAOYSA-N 1 2 339.399 0.866 20 30 ECEDLO C=CCCC(=O)NCC[NH+]1CCC(NC(=O)CCc2cnn[nH]2)CC1 ZINC001055539473 769057108 /nfs/dbraw/zinc/05/71/08/769057108.db2.gz YDMDJBBSXSHMSA-UHFFFAOYSA-N 1 2 348.451 0.400 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)CC1 ZINC001018358687 769185629 /nfs/dbraw/zinc/18/56/29/769185629.db2.gz UWOFJARUCDXENC-CVEARBPZSA-N 1 2 335.448 0.734 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cncnc3)C2)CC1 ZINC001018363495 769202980 /nfs/dbraw/zinc/20/29/80/769202980.db2.gz NHSNWFSIPUHQGY-OAHLLOKOSA-N 1 2 343.431 0.659 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)c2cn[nH]n2)CC1 ZINC001055596692 769215357 /nfs/dbraw/zinc/21/53/57/769215357.db2.gz APDVHKHOOOTEFZ-STQMWFEESA-N 1 2 348.451 0.573 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)c2cnn[nH]2)CC1 ZINC001055596692 769215363 /nfs/dbraw/zinc/21/53/63/769215363.db2.gz APDVHKHOOOTEFZ-STQMWFEESA-N 1 2 348.451 0.573 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@H](O)C(C)C)C2)CC1 ZINC001018368165 769219475 /nfs/dbraw/zinc/21/94/75/769219475.db2.gz XYFPRGZRULCWLE-HZPDHXFCSA-N 1 2 337.464 0.572 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC001018370990 769228122 /nfs/dbraw/zinc/22/81/22/769228122.db2.gz VTFDDPWALNGISN-OAHLLOKOSA-N 1 2 337.464 0.574 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)Cc3ncc[nH]3)C2)CC1 ZINC001018375745 769244048 /nfs/dbraw/zinc/24/40/48/769244048.db2.gz MSRYOVCOIYJXMQ-OAHLLOKOSA-N 1 2 345.447 0.521 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)[C@H]1C ZINC000993573174 769272726 /nfs/dbraw/zinc/27/27/26/769272726.db2.gz SVAMYFCLBAGTIW-GDBMZVCRSA-N 1 2 332.448 0.977 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)[C@H]1C ZINC000993573174 769272738 /nfs/dbraw/zinc/27/27/38/769272738.db2.gz SVAMYFCLBAGTIW-GDBMZVCRSA-N 1 2 332.448 0.977 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C2CC=CC2)C1 ZINC000993634685 769391523 /nfs/dbraw/zinc/39/15/23/769391523.db2.gz ZEFLMECEBOUWAI-BPLDGKMQSA-N 1 2 341.415 0.957 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)c2ccoc2)C1 ZINC000993634504 769392125 /nfs/dbraw/zinc/39/21/25/769392125.db2.gz XPCZLYHINZHUEC-MRVWCRGKSA-N 1 2 341.371 0.897 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](Cc3nc(=O)n(C)[nH]3)[C@@H]2C)C1 ZINC000993789625 769572512 /nfs/dbraw/zinc/57/25/12/769572512.db2.gz MORKVASDBKNYME-CHWSQXEVSA-N 1 2 333.436 0.934 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3nc(=O)n(C)[nH]3)[C@@H]2C)C1 ZINC000993789625 769572521 /nfs/dbraw/zinc/57/25/21/769572521.db2.gz MORKVASDBKNYME-CHWSQXEVSA-N 1 2 333.436 0.934 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+](CC(=O)NC3CC3)[C@@H]2C)c1 ZINC000993770997 769592539 /nfs/dbraw/zinc/59/25/39/769592539.db2.gz KILLMZLXUKKDBM-DYVFJYSZSA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NC3CC3)[C@@H]2C)c1 ZINC000993770997 769592549 /nfs/dbraw/zinc/59/25/49/769592549.db2.gz KILLMZLXUKKDBM-DYVFJYSZSA-N 1 2 340.427 0.924 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2nc(CC3CC3)no2)C1 ZINC001078358710 782769387 /nfs/dbraw/zinc/76/93/87/782769387.db2.gz VADMYBSSXYSTQZ-TZMCWYRMSA-N 1 2 347.419 0.889 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cncn3C)[C@H]2C)nn1 ZINC000993941148 769915696 /nfs/dbraw/zinc/91/56/96/769915696.db2.gz ABRFBEGZJBTQDF-DZGCQCFKSA-N 1 2 343.435 0.981 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cncn3C)[C@H]2C)nn1 ZINC000993941148 769915703 /nfs/dbraw/zinc/91/57/03/769915703.db2.gz ABRFBEGZJBTQDF-DZGCQCFKSA-N 1 2 343.435 0.981 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NC)[C@@H]2C)nn1 ZINC000993991377 769974250 /nfs/dbraw/zinc/97/42/50/769974250.db2.gz UKJKAAWNKIWFEQ-OLZOCXBDSA-N 1 2 334.424 0.183 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CCC[N@H+](CC(=O)NC)[C@@H]2C)nn1 ZINC000993991377 769974262 /nfs/dbraw/zinc/97/42/62/769974262.db2.gz UKJKAAWNKIWFEQ-OLZOCXBDSA-N 1 2 334.424 0.183 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H]1C ZINC000993970060 769985752 /nfs/dbraw/zinc/98/57/52/769985752.db2.gz GSLPJCPCULNGER-JQWIXIFHSA-N 1 2 327.812 0.761 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H]1C ZINC000993970060 769985755 /nfs/dbraw/zinc/98/57/55/769985755.db2.gz GSLPJCPCULNGER-JQWIXIFHSA-N 1 2 327.812 0.761 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CCCO[C@H](C[NH2+]Cc3csnn3)C2)c1 ZINC001078374128 782800231 /nfs/dbraw/zinc/80/02/31/782800231.db2.gz RTNOBPBSTRAJOA-CYBMUJFWSA-N 1 2 346.416 0.759 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[C@H](C)Nc1ccnc(C#N)n1 ZINC001089359780 770443838 /nfs/dbraw/zinc/44/38/38/770443838.db2.gz SSJIFZGLDNJQLJ-WDEREUQCSA-N 1 2 327.392 0.740 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c(F)c1 ZINC001015711903 770477581 /nfs/dbraw/zinc/47/75/81/770477581.db2.gz UCCHYXROMBOLGP-MCIONIFRSA-N 1 2 330.363 0.509 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c(F)c1 ZINC001015711903 770477583 /nfs/dbraw/zinc/47/75/83/770477583.db2.gz UCCHYXROMBOLGP-MCIONIFRSA-N 1 2 330.363 0.509 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCC[C@](CO)(NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001055997552 770497222 /nfs/dbraw/zinc/49/72/22/770497222.db2.gz BVFJAQZVSCTRQR-SFHVURJKSA-N 1 2 346.431 0.709 20 30 ECEDLO C[C@H](CC(=O)N1CCN(c2cnc(C#N)cn2)CC1)n1cc[nH+]c1 ZINC001056039182 770645702 /nfs/dbraw/zinc/64/57/02/770645702.db2.gz DNVZTZNNLVIPHZ-CYBMUJFWSA-N 1 2 325.376 0.845 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(c2nccnc2C#N)CC1 ZINC001056046123 770663086 /nfs/dbraw/zinc/66/30/86/770663086.db2.gz AKQAEWJPPQHSQS-LBPRGKRZSA-N 1 2 325.376 0.599 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2nccnc2C#N)CC1 ZINC001056046123 770663090 /nfs/dbraw/zinc/66/30/90/770663090.db2.gz AKQAEWJPPQHSQS-LBPRGKRZSA-N 1 2 325.376 0.599 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N2CCN(c3cnc(C#N)cn3)CC2)c[nH+]1 ZINC001056069151 770739051 /nfs/dbraw/zinc/73/90/51/770739051.db2.gz DDZXHSPJUVMMQN-UHFFFAOYSA-N 1 2 339.403 0.937 20 30 ECEDLO C=CCCCC(=O)N[C@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001056085309 770794759 /nfs/dbraw/zinc/79/47/59/770794759.db2.gz KJTCKVDUHALVCE-QGZVFWFLSA-N 1 2 334.420 0.709 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CCN(c2nccnc2C#N)CC1 ZINC001056095699 770812765 /nfs/dbraw/zinc/81/27/65/770812765.db2.gz JZYOYAFQOLDPBU-UHFFFAOYSA-N 1 2 325.376 0.363 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001019134496 770891809 /nfs/dbraw/zinc/89/18/09/770891809.db2.gz NNZMANCTRRUIHI-KBPBESRZSA-N 1 2 341.415 0.666 20 30 ECEDLO C=CCCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001056289113 771083769 /nfs/dbraw/zinc/08/37/69/771083769.db2.gz CTIULFDQEJZVNE-OAGGEKHMSA-N 1 2 335.448 0.875 20 30 ECEDLO C=CCCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001056289113 771083775 /nfs/dbraw/zinc/08/37/75/771083775.db2.gz CTIULFDQEJZVNE-OAGGEKHMSA-N 1 2 335.448 0.875 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)nc1 ZINC000994559877 771110271 /nfs/dbraw/zinc/11/02/71/771110271.db2.gz CNJRDJQUGLUEGS-AWEZNQCLSA-N 1 2 349.394 0.463 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC2(CN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001019366477 771211481 /nfs/dbraw/zinc/21/14/81/771211481.db2.gz FHUCFWBTZAFRGC-OLZOCXBDSA-N 1 2 329.404 0.809 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001019366477 771211482 /nfs/dbraw/zinc/21/14/82/771211482.db2.gz FHUCFWBTZAFRGC-OLZOCXBDSA-N 1 2 329.404 0.809 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056402630 771228957 /nfs/dbraw/zinc/22/89/57/771228957.db2.gz QUQXASBGXBVVRS-KFWWJZLASA-N 1 2 344.415 0.582 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC001056405566 771233589 /nfs/dbraw/zinc/23/35/89/771233589.db2.gz NRGSSNHZGDMIRV-CVEARBPZSA-N 1 2 344.415 0.515 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C(C)C)C3=O)C[C@@H]2O)C1 ZINC001083758687 771301734 /nfs/dbraw/zinc/30/17/34/771301734.db2.gz OFRKOQROVJAUGW-ILXRZTDVSA-N 1 2 335.448 0.513 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C(C)C)C3=O)C[C@@H]2O)C1 ZINC001083758687 771301739 /nfs/dbraw/zinc/30/17/39/771301739.db2.gz OFRKOQROVJAUGW-ILXRZTDVSA-N 1 2 335.448 0.513 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CCC(=O)N3)C2)c(F)c1 ZINC001031583644 771338313 /nfs/dbraw/zinc/33/83/13/771338313.db2.gz YXMLFENXPUPCIY-OAHLLOKOSA-N 1 2 330.363 0.524 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nnc(C4CC4)o3)C2)nn1 ZINC001019483280 771346752 /nfs/dbraw/zinc/34/67/52/771346752.db2.gz LXTAYZWFXGSOLP-LBPRGKRZSA-N 1 2 343.391 0.729 20 30 ECEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@@H]3CCNC(=O)C3)C2)c1 ZINC001031613355 771453774 /nfs/dbraw/zinc/45/37/74/771453774.db2.gz MBZRPGCJGREXHO-CQSZACIVSA-N 1 2 344.390 0.772 20 30 ECEDLO C=CCCOCC(=O)N1C[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001056725665 771560966 /nfs/dbraw/zinc/56/09/66/771560966.db2.gz ZPUOHPQEJLEZLJ-GOEBONIOSA-N 1 2 346.431 0.994 20 30 ECEDLO C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001057445197 772622311 /nfs/dbraw/zinc/62/23/11/772622311.db2.gz LJVLSLPVIVMXOA-HUUCEWRRSA-N 1 2 346.431 0.264 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CCC(Nc2ccnc(C#N)n2)CC1 ZINC001057465056 772653212 /nfs/dbraw/zinc/65/32/12/772653212.db2.gz WCUCVXFUWBSMBR-UHFFFAOYSA-N 1 2 339.403 0.539 20 30 ECEDLO C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)CCn1cc[nH+]c1 ZINC001057601947 772800094 /nfs/dbraw/zinc/80/00/94/772800094.db2.gz WSOCLBQJFRZFPR-UHFFFAOYSA-N 1 2 336.436 0.813 20 30 ECEDLO CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001057946933 773249774 /nfs/dbraw/zinc/24/97/74/773249774.db2.gz MTFABGOPJGMNCM-HNNXBMFYSA-N 1 2 346.431 0.042 20 30 ECEDLO C#CCC1(C(=O)NCCN(CCO)C(=O)Cn2cc[nH+]c2)CCC1 ZINC001057996462 773351648 /nfs/dbraw/zinc/35/16/48/773351648.db2.gz LCESDTGUTCHIKM-UHFFFAOYSA-N 1 2 332.404 0.014 20 30 ECEDLO C[C@H](Nc1ccnc(C#N)n1)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001058018609 773374837 /nfs/dbraw/zinc/37/48/37/773374837.db2.gz DAIHHIYLFBNVLW-QWHCGFSZSA-N 1 2 339.403 0.917 20 30 ECEDLO CN(C(=O)Cn1cc[nH+]c1)C1CCN(c2ccnc(C#N)n2)CC1 ZINC001058058670 773449780 /nfs/dbraw/zinc/44/97/80/773449780.db2.gz XNDUBGNWECELAZ-UHFFFAOYSA-N 1 2 325.376 0.672 20 30 ECEDLO C#CCCCCC(=O)NCCN(CCO)C(=O)CCn1cc[nH+]c1 ZINC001058199132 773754293 /nfs/dbraw/zinc/75/42/93/773754293.db2.gz BVHQGEKRDCNAST-UHFFFAOYSA-N 1 2 334.420 0.404 20 30 ECEDLO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001058304047 773938850 /nfs/dbraw/zinc/93/88/50/773938850.db2.gz ROUWEBTYCGMOAH-ZDUSSCGKSA-N 1 2 348.447 0.979 20 30 ECEDLO C#CCCCCCC(=O)N(CCO)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001058309134 773948358 /nfs/dbraw/zinc/94/83/58/773948358.db2.gz VIWHPUZRDXPDRS-UHFFFAOYSA-N 1 2 348.447 0.863 20 30 ECEDLO C#CCCCCCC(=O)N(CCO)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001058309134 773948364 /nfs/dbraw/zinc/94/83/64/773948364.db2.gz VIWHPUZRDXPDRS-UHFFFAOYSA-N 1 2 348.447 0.863 20 30 ECEDLO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)CCc1c[nH+]cn1C ZINC001058366542 774039289 /nfs/dbraw/zinc/03/92/89/774039289.db2.gz HZDOKPSNUCCUHO-UHFFFAOYSA-N 1 2 336.436 0.502 20 30 ECEDLO CC#CCCCC(=O)N(CCO)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001058442472 774188678 /nfs/dbraw/zinc/18/86/78/774188678.db2.gz FTOJMMQEBMYQOI-INIZCTEOSA-N 1 2 348.447 0.965 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)nn1 ZINC001058474573 774256733 /nfs/dbraw/zinc/25/67/33/774256733.db2.gz LUCDNJLPXSEYKM-GXTWGEPZSA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1nccnc1N1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001058541629 774394966 /nfs/dbraw/zinc/39/49/66/774394966.db2.gz POUQWEHUBXXWOA-NEPJUHHUSA-N 1 2 337.387 0.886 20 30 ECEDLO C=CCC1(C(=O)NCCN(CCO)C(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001058547444 774410340 /nfs/dbraw/zinc/41/03/40/774410340.db2.gz HYEYDKFPQUOQIQ-UHFFFAOYSA-N 1 2 334.420 0.636 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CCN(c3ccc(C#N)nn3)C2)c[nH+]1 ZINC001058584729 774478581 /nfs/dbraw/zinc/47/85/81/774478581.db2.gz YIRBMSKOPBIGGY-CQSZACIVSA-N 1 2 339.403 0.983 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC001058590851 774493702 /nfs/dbraw/zinc/49/37/02/774493702.db2.gz PBKFPZGAYVQHGU-IACUBPJLSA-N 1 2 337.387 0.878 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)n1 ZINC001058590851 774493707 /nfs/dbraw/zinc/49/37/07/774493707.db2.gz PBKFPZGAYVQHGU-IACUBPJLSA-N 1 2 337.387 0.878 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001044979153 774792364 /nfs/dbraw/zinc/79/23/64/774792364.db2.gz COBTZFIFYCMCPP-CHWSQXEVSA-N 1 2 334.420 0.490 20 30 ECEDLO C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001045069085 774929020 /nfs/dbraw/zinc/92/90/20/774929020.db2.gz OICNUOGZGXEFIE-OAHLLOKOSA-N 1 2 348.447 0.955 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CN(c3cncc(C#N)n3)C[C@H]21 ZINC001040673809 783229135 /nfs/dbraw/zinc/22/91/35/783229135.db2.gz LKJFOJJKFZOXKE-SWLSCSKDSA-N 1 2 337.387 0.362 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CN(c3ncccc3C#N)C[C@H]21 ZINC001040673340 783229247 /nfs/dbraw/zinc/22/92/47/783229247.db2.gz DJDUJMJLNSACHD-GOEBONIOSA-N 1 2 336.399 0.967 20 30 ECEDLO O=C(C#CC1CC1)N1CC(O)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001043858916 775119590 /nfs/dbraw/zinc/11/95/90/775119590.db2.gz NNCLPCCIXKBOOA-UHFFFAOYSA-N 1 2 338.367 0.051 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001044010902 775504737 /nfs/dbraw/zinc/50/47/37/775504737.db2.gz FYUAHKMTXNBIKY-QWHCGFSZSA-N 1 2 334.420 0.110 20 30 ECEDLO Cn1ncc(C[NH+]2CCC(C)(NC(=O)c3c[nH]c(C#N)c3)CC2)n1 ZINC001045411668 775559047 /nfs/dbraw/zinc/55/90/47/775559047.db2.gz PDRDQTLLJDOZEG-UHFFFAOYSA-N 1 2 327.392 0.799 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001044141320 775777007 /nfs/dbraw/zinc/77/70/07/775777007.db2.gz LLKFCKZOBUSEJI-CQSZACIVSA-N 1 2 334.420 0.565 20 30 ECEDLO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001044463597 776323025 /nfs/dbraw/zinc/32/30/25/776323025.db2.gz HECIZXFDBMDHJM-VXGBXAGGSA-N 1 2 332.404 0.415 20 30 ECEDLO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001044463597 776323035 /nfs/dbraw/zinc/32/30/35/776323035.db2.gz HECIZXFDBMDHJM-VXGBXAGGSA-N 1 2 332.404 0.415 20 30 ECEDLO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001044479062 776341451 /nfs/dbraw/zinc/34/14/51/776341451.db2.gz SPLFAEPTXBHKAA-UHFFFAOYSA-N 1 2 342.399 0.850 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(OC)c(C)c2)[C@@H](n2ccnn2)C1 ZINC001070054067 790462511 /nfs/dbraw/zinc/46/25/11/790462511.db2.gz FSVNPBMIGIYTBW-CVEARBPZSA-N 1 2 339.399 0.884 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)c(C)c2)[C@@H](n2ccnn2)C1 ZINC001070054067 790462518 /nfs/dbraw/zinc/46/25/18/790462518.db2.gz FSVNPBMIGIYTBW-CVEARBPZSA-N 1 2 339.399 0.884 20 30 ECEDLO CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001079741782 776785702 /nfs/dbraw/zinc/78/57/02/776785702.db2.gz VBEAKIZMMCZYPD-OAHLLOKOSA-N 1 2 340.427 0.918 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnn(CCC)c2C)[C@@H](n2ccnn2)C1 ZINC001070063158 790484574 /nfs/dbraw/zinc/48/45/74/790484574.db2.gz XSNHWIGCUNWGFF-CVEARBPZSA-N 1 2 341.419 0.482 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CCC)c2C)[C@@H](n2ccnn2)C1 ZINC001070063158 790484585 /nfs/dbraw/zinc/48/45/85/790484585.db2.gz XSNHWIGCUNWGFF-CVEARBPZSA-N 1 2 341.419 0.482 20 30 ECEDLO C=CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001079981131 777188059 /nfs/dbraw/zinc/18/80/59/777188059.db2.gz JWRAXFWEYLBDKO-CYBMUJFWSA-N 1 2 334.420 0.911 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2OC)[C@@H](n2ccnn2)C1 ZINC001070080368 790534060 /nfs/dbraw/zinc/53/40/60/790534060.db2.gz BHZCWZRBJQBXBW-CABCVRRESA-N 1 2 325.372 0.575 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2OC)[C@@H](n2ccnn2)C1 ZINC001070080368 790534070 /nfs/dbraw/zinc/53/40/70/790534070.db2.gz BHZCWZRBJQBXBW-CABCVRRESA-N 1 2 325.372 0.575 20 30 ECEDLO C#CCOCCC(=O)N1CC(N(CC)C(=O)CCc2[nH+]ccn2C)C1 ZINC001080243167 777598196 /nfs/dbraw/zinc/59/81/96/777598196.db2.gz XECYZQMLSXCPCW-UHFFFAOYSA-N 1 2 346.431 0.452 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cncnc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070086843 790558003 /nfs/dbraw/zinc/55/80/03/790558003.db2.gz PZSOKITWZJDILF-CABCVRRESA-N 1 2 339.403 0.787 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cncnc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070086843 790558013 /nfs/dbraw/zinc/55/80/13/790558013.db2.gz PZSOKITWZJDILF-CABCVRRESA-N 1 2 339.403 0.787 20 30 ECEDLO CCN(C(=O)Cc1[nH]cc[nH+]1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001080347289 777723127 /nfs/dbraw/zinc/72/31/27/777723127.db2.gz MJNLWBZAFBTISI-UHFFFAOYSA-N 1 2 326.360 0.525 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(CC)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001080354022 777740836 /nfs/dbraw/zinc/74/08/36/777740836.db2.gz VJQKGZZKCYVOLE-YOEHRIQHSA-N 1 2 346.431 0.993 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2OCC)[C@@H](n2ccnn2)C1 ZINC001070087632 790561207 /nfs/dbraw/zinc/56/12/07/790561207.db2.gz AQYZDEHZAQWHRB-CVEARBPZSA-N 1 2 339.399 0.965 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2OCC)[C@@H](n2ccnn2)C1 ZINC001070087632 790561212 /nfs/dbraw/zinc/56/12/12/790561212.db2.gz AQYZDEHZAQWHRB-CVEARBPZSA-N 1 2 339.399 0.965 20 30 ECEDLO C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001043187702 777912655 /nfs/dbraw/zinc/91/26/55/777912655.db2.gz PHXAOAPMGMVWTB-UHFFFAOYSA-N 1 2 346.431 0.421 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001043225679 777998208 /nfs/dbraw/zinc/99/82/08/777998208.db2.gz AYQVPFBISBJJAC-LBPRGKRZSA-N 1 2 334.420 0.490 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001043225679 777998212 /nfs/dbraw/zinc/99/82/12/777998212.db2.gz AYQVPFBISBJJAC-LBPRGKRZSA-N 1 2 334.420 0.490 20 30 ECEDLO C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001043226396 778005634 /nfs/dbraw/zinc/00/56/34/778005634.db2.gz UNDCBOWHIWCVSP-ZDUSSCGKSA-N 1 2 334.420 0.634 20 30 ECEDLO C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001043226396 778005644 /nfs/dbraw/zinc/00/56/44/778005644.db2.gz UNDCBOWHIWCVSP-ZDUSSCGKSA-N 1 2 334.420 0.634 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(F)cc(F)c2)[C@@H](n2ccnn2)C1 ZINC001070094979 790584849 /nfs/dbraw/zinc/58/48/49/790584849.db2.gz OKKOISRZBMWFIU-CABCVRRESA-N 1 2 331.326 0.845 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(F)cc(F)c2)[C@@H](n2ccnn2)C1 ZINC001070094979 790584857 /nfs/dbraw/zinc/58/48/57/790584857.db2.gz OKKOISRZBMWFIU-CABCVRRESA-N 1 2 331.326 0.845 20 30 ECEDLO C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001043625539 778617995 /nfs/dbraw/zinc/61/79/95/778617995.db2.gz VFWAUMCBJSVZOM-CQSZACIVSA-N 1 2 346.431 0.491 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C[C@@H](C)C(C)C)C1 ZINC001043648755 778664309 /nfs/dbraw/zinc/66/43/09/778664309.db2.gz IIDWLUJTWQSTJO-CVEARBPZSA-N 1 2 349.475 0.456 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C[C@@H](C)C(C)C)C1 ZINC001043648755 778664316 /nfs/dbraw/zinc/66/43/16/778664316.db2.gz IIDWLUJTWQSTJO-CVEARBPZSA-N 1 2 349.475 0.456 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C(C)(C)CC=C)C1 ZINC001043649010 778665228 /nfs/dbraw/zinc/66/52/28/778665228.db2.gz IWFAVSOKPWYVEK-HNNXBMFYSA-N 1 2 347.459 0.376 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C(C)(C)CC=C)C1 ZINC001043649010 778665233 /nfs/dbraw/zinc/66/52/33/778665233.db2.gz IWFAVSOKPWYVEK-HNNXBMFYSA-N 1 2 347.459 0.376 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[C@@H](CNC(=O)CCn1cc[nH+]c1)O2 ZINC001068596883 790669947 /nfs/dbraw/zinc/66/99/47/790669947.db2.gz JHYDPWJKWCHVQL-KBPBESRZSA-N 1 2 345.403 0.309 20 30 ECEDLO Cc1conc1C[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1n1ccnn1 ZINC001070157465 790777686 /nfs/dbraw/zinc/77/76/86/790777686.db2.gz YSVSQVCPVRKZQV-HONMWMINSA-N 1 2 329.364 0.276 20 30 ECEDLO C#CCCCC(=O)NCC1(NC(=O)Cn2cc[nH+]c2)CCOCC1 ZINC001070159288 790786139 /nfs/dbraw/zinc/78/61/39/790786139.db2.gz XABMBWKJZRKTRI-UHFFFAOYSA-N 1 2 332.404 0.468 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001078993174 780685347 /nfs/dbraw/zinc/68/53/47/780685347.db2.gz PLTCZDNPAWFKJQ-OAHLLOKOSA-N 1 2 334.420 0.925 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CCC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001079045361 780720448 /nfs/dbraw/zinc/72/04/48/780720448.db2.gz FBQPZEVFTDNRKI-GJZGRUSLSA-N 1 2 346.431 0.830 20 30 ECEDLO C=CCCO[C@H](C)C(=O)N(CC)C1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001079444684 781126736 /nfs/dbraw/zinc/12/67/36/781126736.db2.gz CYPZEZJBEFGOMU-CYBMUJFWSA-N 1 2 334.420 0.993 20 30 ECEDLO C=CCOCC(=O)N(CC)C1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001079492565 781179241 /nfs/dbraw/zinc/17/92/41/781179241.db2.gz DCJWEQUWCNBUTI-CQSZACIVSA-N 1 2 346.431 0.707 20 30 ECEDLO C=CCOCC(=O)N(CC)C1CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001079491862 781179344 /nfs/dbraw/zinc/17/93/44/781179344.db2.gz YCFWPZWYXABBAL-UHFFFAOYSA-N 1 2 334.420 0.615 20 30 ECEDLO C=CCOCC(=O)N(CC)C1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001079492965 781179810 /nfs/dbraw/zinc/17/98/10/781179810.db2.gz SRKTUXDRAWCUTD-AWEZNQCLSA-N 1 2 346.431 0.707 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cnc(F)cn2)C[C@H]1OC ZINC001043017669 781188246 /nfs/dbraw/zinc/18/82/46/781188246.db2.gz HCZYFRKHVBLXCB-HZSPNIEDSA-N 1 2 347.394 0.033 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cnc(F)cn2)C[C@H]1OC ZINC001043017669 781188248 /nfs/dbraw/zinc/18/82/48/781188248.db2.gz HCZYFRKHVBLXCB-HZSPNIEDSA-N 1 2 347.394 0.033 20 30 ECEDLO C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)Cc2c[nH+]cn2C)cn1 ZINC001077633306 781390289 /nfs/dbraw/zinc/39/02/89/781390289.db2.gz LJTBJZIHQLQMRH-ZDUSSCGKSA-N 1 2 339.399 0.664 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]2O)C1 ZINC001077645597 781417274 /nfs/dbraw/zinc/41/72/74/781417274.db2.gz OFRKOQROVJAUGW-QLFBSQMISA-N 1 2 335.448 0.513 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C(C)C)C3=O)C[C@H]2O)C1 ZINC001077645597 781417278 /nfs/dbraw/zinc/41/72/78/781417278.db2.gz OFRKOQROVJAUGW-QLFBSQMISA-N 1 2 335.448 0.513 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3ncccc3C)C[C@H]2O)c1 ZINC001077647731 781420195 /nfs/dbraw/zinc/42/01/95/781420195.db2.gz JOLWAKRPCRWNAR-QZTJIDSGSA-N 1 2 336.395 0.741 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3ncccc3C)C[C@H]2O)c1 ZINC001077647731 781420202 /nfs/dbraw/zinc/42/02/02/781420202.db2.gz JOLWAKRPCRWNAR-QZTJIDSGSA-N 1 2 336.395 0.741 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]2O)nn1 ZINC001077801352 781722526 /nfs/dbraw/zinc/72/25/26/781722526.db2.gz OAUXRDLHMFGISR-GDBMZVCRSA-N 1 2 345.378 0.578 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]2O)nn1 ZINC001077801352 781722532 /nfs/dbraw/zinc/72/25/32/781722532.db2.gz OAUXRDLHMFGISR-GDBMZVCRSA-N 1 2 345.378 0.578 20 30 ECEDLO CN(c1nccnc1C#N)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001068688906 790908572 /nfs/dbraw/zinc/90/85/72/790908572.db2.gz JUPONEZVZJZHHY-UHFFFAOYSA-N 1 2 325.376 0.741 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@H]2O)nn1 ZINC001077813823 781745651 /nfs/dbraw/zinc/74/56/51/781745651.db2.gz DUBNCLSXKSGPKJ-WPCUQIPDSA-N 1 2 325.800 0.382 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@H]2O)nn1 ZINC001077813823 781745654 /nfs/dbraw/zinc/74/56/54/781745654.db2.gz DUBNCLSXKSGPKJ-WPCUQIPDSA-N 1 2 325.800 0.382 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)ncn2)C[C@H]1O ZINC001077821721 781757660 /nfs/dbraw/zinc/75/76/60/781757660.db2.gz CPFUDRHWUUMTAR-HZMVEIRTSA-N 1 2 346.431 0.428 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@H]1O ZINC001077821721 781757667 /nfs/dbraw/zinc/75/76/67/781757667.db2.gz CPFUDRHWUUMTAR-HZMVEIRTSA-N 1 2 346.431 0.428 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3ccccn3)no2)C1 ZINC001077904159 781908692 /nfs/dbraw/zinc/90/86/92/781908692.db2.gz MFWNASRUPNAFDU-HUUCEWRRSA-N 1 2 326.356 0.535 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3ccccn3)no2)C1 ZINC001077904159 781908695 /nfs/dbraw/zinc/90/86/95/781908695.db2.gz MFWNASRUPNAFDU-HUUCEWRRSA-N 1 2 326.356 0.535 20 30 ECEDLO C#CCC1(C(=O)NC[C@]2(O)CCN(C(=O)Cc3c[nH+]c[nH]3)C2)CCC1 ZINC001040059998 783463408 /nfs/dbraw/zinc/46/34/08/783463408.db2.gz OIAYZDOCYSMBCY-GOSISDBHSA-N 1 2 344.415 0.225 20 30 ECEDLO C=C1CCC(C(=O)NC[C@]2(O)CCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001040807939 783478113 /nfs/dbraw/zinc/47/81/13/783478113.db2.gz YNBHXLAJNSELOK-GOSISDBHSA-N 1 2 346.431 0.778 20 30 ECEDLO Cc1cc(N[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@H]2C)c(C#N)cn1 ZINC001040070364 783482734 /nfs/dbraw/zinc/48/27/34/783482734.db2.gz KAMWUIMOVDCTIR-JLJPHGGASA-N 1 2 343.431 0.416 20 30 ECEDLO Cc1cc(N[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@H]2C)c(C#N)cn1 ZINC001040070364 783482736 /nfs/dbraw/zinc/48/27/36/783482736.db2.gz KAMWUIMOVDCTIR-JLJPHGGASA-N 1 2 343.431 0.416 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)c2ccccc2O)C1=O ZINC001038070111 783815659 /nfs/dbraw/zinc/81/56/59/783815659.db2.gz DCOXPIYBMXWIKD-DZGCQCFKSA-N 1 2 329.400 0.983 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)c2ccccc2O)C1=O ZINC001038070111 783815664 /nfs/dbraw/zinc/81/56/64/783815664.db2.gz DCOXPIYBMXWIKD-DZGCQCFKSA-N 1 2 329.400 0.983 20 30 ECEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cn(C)nn2)cc1C#N ZINC001038211546 784001131 /nfs/dbraw/zinc/00/11/31/784001131.db2.gz INYYDFYZDCKQQQ-AWEZNQCLSA-N 1 2 340.387 0.700 20 30 ECEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cn(C)nn2)cc1C#N ZINC001038211546 784001138 /nfs/dbraw/zinc/00/11/38/784001138.db2.gz INYYDFYZDCKQQQ-AWEZNQCLSA-N 1 2 340.387 0.700 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2nnc[nH]2)C1 ZINC001070430000 784048767 /nfs/dbraw/zinc/04/87/67/784048767.db2.gz XCQZRHFINNASPW-JTQLQIEISA-N 1 2 335.799 1.000 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2nnc[nH]2)C1 ZINC001070430000 784048773 /nfs/dbraw/zinc/04/87/73/784048773.db2.gz XCQZRHFINNASPW-JTQLQIEISA-N 1 2 335.799 1.000 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCOC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070440108 784077054 /nfs/dbraw/zinc/07/70/54/784077054.db2.gz BHAGJKZDMBZHPM-GJZGRUSLSA-N 1 2 343.431 0.401 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cnn(C)c2)C1 ZINC001070903495 784083121 /nfs/dbraw/zinc/08/31/21/784083121.db2.gz MXSJRPXHHQKIJQ-ZNMIVQPWSA-N 1 2 345.403 0.326 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cnn(C)c2)C1 ZINC001070903495 784083129 /nfs/dbraw/zinc/08/31/29/784083129.db2.gz MXSJRPXHHQKIJQ-ZNMIVQPWSA-N 1 2 345.403 0.326 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001070903587 784083638 /nfs/dbraw/zinc/08/36/38/784083638.db2.gz GASVVBDKUBMPMK-UONOGXRCSA-N 1 2 334.420 0.661 20 30 ECEDLO CC#CC[NH+]1CC2(C1)CN(C(=O)[C@H](CC)OC)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442635 784084999 /nfs/dbraw/zinc/08/49/99/784084999.db2.gz LFUMYJSYUQQNEM-CABCVRRESA-N 1 2 345.447 0.789 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cnsn2)C1 ZINC001070906021 784087753 /nfs/dbraw/zinc/08/77/53/784087753.db2.gz QKXWTFKTHOPXKX-UHTWSYAYSA-N 1 2 349.416 0.444 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cnsn2)C1 ZINC001070906021 784087760 /nfs/dbraw/zinc/08/77/60/784087760.db2.gz QKXWTFKTHOPXKX-UHTWSYAYSA-N 1 2 349.416 0.444 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)C1=CCOCC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070444333 784093210 /nfs/dbraw/zinc/09/32/10/784093210.db2.gz NSFQPWDUHQONHJ-OAHLLOKOSA-N 1 2 341.415 0.321 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1cncn1C)C[C@H]2c1nnc(C)[nH]1 ZINC001070445598 784096569 /nfs/dbraw/zinc/09/65/69/784096569.db2.gz GADBBAQKYKWCOF-ZDUSSCGKSA-N 1 2 339.403 0.021 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@H](OC)C1CC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070446169 784099380 /nfs/dbraw/zinc/09/93/80/784099380.db2.gz VEYLQNYBBXJRQF-HUUCEWRRSA-N 1 2 343.431 0.399 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@@]1(F)CCOC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070447206 784101930 /nfs/dbraw/zinc/10/19/30/784101930.db2.gz FWIUZFGCOXKKHE-CXAGYDPISA-N 1 2 347.394 0.103 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@H](F)C(C)C)C[C@H]2c1nnc(C)[nH]1 ZINC001070448608 784105106 /nfs/dbraw/zinc/10/51/06/784105106.db2.gz ZNEDGMRDWKTTMQ-UONOGXRCSA-N 1 2 333.411 0.968 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C1 ZINC001070923755 784123461 /nfs/dbraw/zinc/12/34/61/784123461.db2.gz BNJXVNFIBWBQKJ-OAGGEKHMSA-N 1 2 344.415 0.849 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C1 ZINC001070923755 784123464 /nfs/dbraw/zinc/12/34/64/784123464.db2.gz BNJXVNFIBWBQKJ-OAGGEKHMSA-N 1 2 344.415 0.849 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)n2cccn2)CC1 ZINC001070940536 784171960 /nfs/dbraw/zinc/17/19/60/784171960.db2.gz KZVYTBMOMRRJCS-HNNXBMFYSA-N 1 2 333.436 0.671 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)n2cccn2)CC1 ZINC001070940536 784171963 /nfs/dbraw/zinc/17/19/63/784171963.db2.gz KZVYTBMOMRRJCS-HNNXBMFYSA-N 1 2 333.436 0.671 20 30 ECEDLO C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)c2cnc(C)[nH]2)CC1 ZINC001070947446 784194797 /nfs/dbraw/zinc/19/47/97/784194797.db2.gz WTBWVDFFESJHTJ-UHFFFAOYSA-N 1 2 333.436 0.948 20 30 ECEDLO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2cnc(C)[nH]2)CC1 ZINC001070947446 784194801 /nfs/dbraw/zinc/19/48/01/784194801.db2.gz WTBWVDFFESJHTJ-UHFFFAOYSA-N 1 2 333.436 0.948 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(=O)NCC[N@@H+](CCc2ccns2)CC1 ZINC001070948398 784197263 /nfs/dbraw/zinc/19/72/63/784197263.db2.gz KVVBJFJZSHQAKX-CYBMUJFWSA-N 1 2 349.460 0.496 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(=O)NCC[N@H+](CCc2ccns2)CC1 ZINC001070948398 784197269 /nfs/dbraw/zinc/19/72/69/784197269.db2.gz KVVBJFJZSHQAKX-CYBMUJFWSA-N 1 2 349.460 0.496 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](CC)SC)CC1 ZINC001070955087 784216721 /nfs/dbraw/zinc/21/67/21/784216721.db2.gz JYQAWYCZSKURDC-AWEZNQCLSA-N 1 2 325.478 0.802 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](CC)SC)CC1 ZINC001070955087 784216731 /nfs/dbraw/zinc/21/67/31/784216731.db2.gz JYQAWYCZSKURDC-AWEZNQCLSA-N 1 2 325.478 0.802 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2nn(C)cc2C)CC1 ZINC001070963075 784242275 /nfs/dbraw/zinc/24/22/75/784242275.db2.gz AETRKKFEHQGWNR-UHFFFAOYSA-N 1 2 333.436 0.569 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2nn(C)cc2C)CC1 ZINC001070963075 784242277 /nfs/dbraw/zinc/24/22/77/784242277.db2.gz AETRKKFEHQGWNR-UHFFFAOYSA-N 1 2 333.436 0.569 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2ccn(C)n2)CC1 ZINC001070967968 784258835 /nfs/dbraw/zinc/25/88/35/784258835.db2.gz GXGNKGILTHRLOS-UHFFFAOYSA-N 1 2 333.436 0.189 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCc2ccn(C)n2)CC1 ZINC001070967968 784258844 /nfs/dbraw/zinc/25/88/44/784258844.db2.gz GXGNKGILTHRLOS-UHFFFAOYSA-N 1 2 333.436 0.189 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2c(C)ncn2C)CC1 ZINC001070971604 784274471 /nfs/dbraw/zinc/27/44/71/784274471.db2.gz IHFNHPYUWZLBNI-UHFFFAOYSA-N 1 2 333.436 0.569 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2c(C)ncn2C)CC1 ZINC001070971604 784274475 /nfs/dbraw/zinc/27/44/75/784274475.db2.gz IHFNHPYUWZLBNI-UHFFFAOYSA-N 1 2 333.436 0.569 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)Cc2cn(CC)nn2)CC1 ZINC001070981549 784311347 /nfs/dbraw/zinc/31/13/47/784311347.db2.gz GTLISOJHZVRZTL-UHFFFAOYSA-N 1 2 348.451 0.067 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)Cc2cn(CC)nn2)CC1 ZINC001070981549 784311353 /nfs/dbraw/zinc/31/13/53/784311353.db2.gz GTLISOJHZVRZTL-UHFFFAOYSA-N 1 2 348.451 0.067 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2cncnc2CC)CC1 ZINC001071021971 784444233 /nfs/dbraw/zinc/44/42/33/784444233.db2.gz NXFMCDBRLYYQQU-UHFFFAOYSA-N 1 2 345.447 0.879 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2cncnc2CC)CC1 ZINC001071021971 784444240 /nfs/dbraw/zinc/44/42/40/784444240.db2.gz NXFMCDBRLYYQQU-UHFFFAOYSA-N 1 2 345.447 0.879 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2ncccn2)C1 ZINC001070630481 784462615 /nfs/dbraw/zinc/46/26/15/784462615.db2.gz SAJNODNKZFKHOU-BFHYXJOUSA-N 1 2 339.403 0.454 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cc3n(n2)CCC3)C[C@H]1NCC#N ZINC001070654284 784504594 /nfs/dbraw/zinc/50/45/94/784504594.db2.gz GVVBRLPJULXJGX-UKRRQHHQSA-N 1 2 339.403 0.284 20 30 ECEDLO CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070656743 784508664 /nfs/dbraw/zinc/50/86/64/784508664.db2.gz ZYZARZLQCRVXQC-KQTLUZQSSA-N 1 2 331.420 0.643 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001071088838 784531918 /nfs/dbraw/zinc/53/19/18/784531918.db2.gz RPGQTUXOXZMFCH-CQSZACIVSA-N 1 2 334.420 0.663 20 30 ECEDLO Cc1nn(C)c(C)c1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070675475 784535962 /nfs/dbraw/zinc/53/59/62/784535962.db2.gz DBMXWMHVWMSYLF-ZIAGYGMSSA-N 1 2 341.419 0.492 20 30 ECEDLO C[N@@H+]1CCC[C@@H]1C(=O)NCc1nc([C@H]2C[C@H](F)CN2CC#N)n[nH]1 ZINC001070729103 784611220 /nfs/dbraw/zinc/61/12/20/784611220.db2.gz YXXDNAOSUGQGIH-QJPTWQEYSA-N 1 2 335.387 0.124 20 30 ECEDLO C[N@H+]1CCC[C@@H]1C(=O)NCc1nc([C@H]2C[C@H](F)CN2CC#N)n[nH]1 ZINC001070729103 784611224 /nfs/dbraw/zinc/61/12/24/784611224.db2.gz YXXDNAOSUGQGIH-QJPTWQEYSA-N 1 2 335.387 0.124 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1nccn1)C[C@@H](C)O2 ZINC001071174416 784661679 /nfs/dbraw/zinc/66/16/79/784661679.db2.gz XPAYZVPILOQORU-HIFRSBDPSA-N 1 2 339.827 0.722 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1nccn1)C[C@@H](C)O2 ZINC001071174416 784661683 /nfs/dbraw/zinc/66/16/83/784661683.db2.gz XPAYZVPILOQORU-HIFRSBDPSA-N 1 2 339.827 0.722 20 30 ECEDLO C=CCn1cccc1C(=O)N1C[C@H](C)O[C@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001071176436 784666721 /nfs/dbraw/zinc/66/67/21/784666721.db2.gz VONKYISTHOILBX-KSSFIOAISA-N 1 2 346.431 0.465 20 30 ECEDLO C=CCn1cccc1C(=O)N1C[C@H](C)O[C@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001071176436 784666727 /nfs/dbraw/zinc/66/67/27/784666727.db2.gz VONKYISTHOILBX-KSSFIOAISA-N 1 2 346.431 0.465 20 30 ECEDLO C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)CC1CS(=O)(=O)C1)C[C@H](C)O2 ZINC001071183964 784686018 /nfs/dbraw/zinc/68/60/18/784686018.db2.gz WBJQSFIZXYEQTB-BBRMVZONSA-N 1 2 342.461 0.299 20 30 ECEDLO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC1CS(=O)(=O)C1)C[C@H](C)O2 ZINC001071183964 784686020 /nfs/dbraw/zinc/68/60/20/784686020.db2.gz WBJQSFIZXYEQTB-BBRMVZONSA-N 1 2 342.461 0.299 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H](NC(=O)CSCC#N)C1 ZINC001070798878 784697508 /nfs/dbraw/zinc/69/75/08/784697508.db2.gz DJXJRYDCFCMJCC-QWHCGFSZSA-N 1 2 349.460 0.952 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H](NC(=O)CSCC#N)C1 ZINC001070798878 784697514 /nfs/dbraw/zinc/69/75/14/784697514.db2.gz DJXJRYDCFCMJCC-QWHCGFSZSA-N 1 2 349.460 0.952 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2CCOCC2)C1 ZINC001070900407 784807315 /nfs/dbraw/zinc/80/73/15/784807315.db2.gz LNUNECZHUGSFMD-XHSDSOJGSA-N 1 2 349.431 0.705 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2CCOCC2)C1 ZINC001070900407 784807326 /nfs/dbraw/zinc/80/73/26/784807326.db2.gz LNUNECZHUGSFMD-XHSDSOJGSA-N 1 2 349.431 0.705 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)C3=COCCO3)C2)C(=O)C1 ZINC001071253572 784843799 /nfs/dbraw/zinc/84/37/99/784843799.db2.gz NXNMIBULUPUSOB-HNNXBMFYSA-N 1 2 347.415 0.033 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)C3=COCCO3)C2)C(=O)C1 ZINC001071253572 784843808 /nfs/dbraw/zinc/84/38/08/784843808.db2.gz NXNMIBULUPUSOB-HNNXBMFYSA-N 1 2 347.415 0.033 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3cnsn3)C2)C(=O)C1 ZINC001071255763 784852243 /nfs/dbraw/zinc/85/22/43/784852243.db2.gz VPHFJBVVDAKLEI-CYBMUJFWSA-N 1 2 347.444 0.310 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3cnsn3)C2)C(=O)C1 ZINC001071255763 784852246 /nfs/dbraw/zinc/85/22/46/784852246.db2.gz VPHFJBVVDAKLEI-CYBMUJFWSA-N 1 2 347.444 0.310 20 30 ECEDLO COC[C@@H](C)[N@@H+]1CCN([C@H]2CCCN(C(=O)C#CC3CC3)C2)C(=O)C1 ZINC001071264368 784884483 /nfs/dbraw/zinc/88/44/83/784884483.db2.gz UTVZEXCGUVQHQY-WBVHZDCISA-N 1 2 347.459 0.570 20 30 ECEDLO COC[C@@H](C)[N@H+]1CCN([C@H]2CCCN(C(=O)C#CC3CC3)C2)C(=O)C1 ZINC001071264368 784884488 /nfs/dbraw/zinc/88/44/88/784884488.db2.gz UTVZEXCGUVQHQY-WBVHZDCISA-N 1 2 347.459 0.570 20 30 ECEDLO C#CCN1CCN([C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C(=O)C1 ZINC001071265192 784886300 /nfs/dbraw/zinc/88/63/00/784886300.db2.gz AWAPKHPLLXSMAD-MRXNPFEDSA-N 1 2 343.431 0.111 20 30 ECEDLO C#CCN1CCN([C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C(=O)C1 ZINC001071265192 784886304 /nfs/dbraw/zinc/88/63/04/784886304.db2.gz AWAPKHPLLXSMAD-MRXNPFEDSA-N 1 2 343.431 0.111 20 30 ECEDLO C=CCN1CCN([C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C(=O)C1 ZINC001071273782 784910912 /nfs/dbraw/zinc/91/09/12/784910912.db2.gz HITQEOJVRPZJDU-OAHLLOKOSA-N 1 2 331.420 0.273 20 30 ECEDLO C[C@@H]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C[N@@H+]1Cc1cnnn1C ZINC001071430726 785077929 /nfs/dbraw/zinc/07/79/29/785077929.db2.gz FMCSDYKEZCKZIW-YPMHNXCESA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@@H]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C[N@H+]1Cc1cnnn1C ZINC001071430726 785077933 /nfs/dbraw/zinc/07/79/33/785077933.db2.gz FMCSDYKEZCKZIW-YPMHNXCESA-N 1 2 327.392 0.798 20 30 ECEDLO C=CCOCC(=O)N1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001071804721 785130125 /nfs/dbraw/zinc/13/01/25/785130125.db2.gz GLWBVHKJPNRTRA-HUUCEWRRSA-N 1 2 334.420 0.829 20 30 ECEDLO C=CCOCCCC(=O)N1C[C@H](C)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001071878791 785260934 /nfs/dbraw/zinc/26/09/34/785260934.db2.gz VKAMATOPUPRONC-DZGCQCFKSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC[C@H]1C ZINC001071901046 785294783 /nfs/dbraw/zinc/29/47/83/785294783.db2.gz MYTGEJKTOYZAIT-NEPJUHHUSA-N 1 2 330.392 0.226 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC[C@H]1C ZINC001071901046 785294789 /nfs/dbraw/zinc/29/47/89/785294789.db2.gz MYTGEJKTOYZAIT-NEPJUHHUSA-N 1 2 330.392 0.226 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CN2CCC(=O)NC2=O)CC[C@H]1C ZINC001071969022 785439353 /nfs/dbraw/zinc/43/93/53/785439353.db2.gz YFOMKNYJVLZGNO-VXGBXAGGSA-N 1 2 342.827 0.650 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CN2CCC(=O)NC2=O)CC[C@H]1C ZINC001071969022 785439358 /nfs/dbraw/zinc/43/93/58/785439358.db2.gz YFOMKNYJVLZGNO-VXGBXAGGSA-N 1 2 342.827 0.650 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CN2CC(=O)N(C)C2=O)CC[C@@H]1C ZINC001071987688 785482176 /nfs/dbraw/zinc/48/21/76/785482176.db2.gz FFFGSSDMDZHKNW-NWDGAFQWSA-N 1 2 342.827 0.602 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CN2CC(=O)N(C)C2=O)CC[C@@H]1C ZINC001071987688 785482179 /nfs/dbraw/zinc/48/21/79/785482179.db2.gz FFFGSSDMDZHKNW-NWDGAFQWSA-N 1 2 342.827 0.602 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1NC(=O)CSCC#N ZINC001071988159 785482994 /nfs/dbraw/zinc/48/29/94/785482994.db2.gz MFZQDYSTKVZAMF-NEPJUHHUSA-N 1 2 335.433 0.562 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC[C@H]1C ZINC001072098575 785666254 /nfs/dbraw/zinc/66/62/54/785666254.db2.gz CKUIVEMSRBEGQO-GHMZBOCLSA-N 1 2 340.815 0.099 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC[C@H]1C ZINC001072098575 785666259 /nfs/dbraw/zinc/66/62/59/785666259.db2.gz CKUIVEMSRBEGQO-GHMZBOCLSA-N 1 2 340.815 0.099 20 30 ECEDLO C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1NC(=O)CSCC#N ZINC001072373494 786099036 /nfs/dbraw/zinc/09/90/36/786099036.db2.gz WTWRYLXAQUVLPA-KGLIPLIRSA-N 1 2 349.460 0.883 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001072509410 786300336 /nfs/dbraw/zinc/30/03/36/786300336.db2.gz APDYRPGCGQXEGE-KBPBESRZSA-N 1 2 334.420 0.518 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C4CCC4)nn3)C[C@@H]21 ZINC001074244723 786499188 /nfs/dbraw/zinc/49/91/88/786499188.db2.gz JNIGPAFTPSFLCC-DLBZAZTESA-N 1 2 343.431 0.942 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C4CCC4)nn3)C[C@@H]21 ZINC001074244723 786499192 /nfs/dbraw/zinc/49/91/92/786499192.db2.gz JNIGPAFTPSFLCC-DLBZAZTESA-N 1 2 343.431 0.942 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCn3ccccc3=O)C[C@H]21 ZINC001074257020 786528872 /nfs/dbraw/zinc/52/88/72/786528872.db2.gz XZYJEEDPHRLVTM-IAGOWNOFSA-N 1 2 343.427 0.563 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCn3ccccc3=O)C[C@H]21 ZINC001074257020 786528873 /nfs/dbraw/zinc/52/88/73/786528873.db2.gz XZYJEEDPHRLVTM-IAGOWNOFSA-N 1 2 343.427 0.563 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccn(CCOC)n3)C[C@H]21 ZINC001074290882 786606725 /nfs/dbraw/zinc/60/67/25/786606725.db2.gz CODTXZHFUAIEPZ-SJORKVTESA-N 1 2 346.431 0.468 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccn(CCOC)n3)C[C@H]21 ZINC001074290882 786606731 /nfs/dbraw/zinc/60/67/31/786606731.db2.gz CODTXZHFUAIEPZ-SJORKVTESA-N 1 2 346.431 0.468 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C[C@@H]21 ZINC001074301687 786630190 /nfs/dbraw/zinc/63/01/90/786630190.db2.gz FQWLZGPPHCMAJM-GJZGRUSLSA-N 1 2 332.404 0.272 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C[C@@H]21 ZINC001074301687 786630197 /nfs/dbraw/zinc/63/01/97/786630197.db2.gz FQWLZGPPHCMAJM-GJZGRUSLSA-N 1 2 332.404 0.272 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3cc(CC)nn3C)C[C@H]21 ZINC001074302922 786634933 /nfs/dbraw/zinc/63/49/33/786634933.db2.gz ZKBVOCQSOMGELI-MSOLQXFVSA-N 1 2 344.459 0.850 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3cc(CC)nn3C)C[C@H]21 ZINC001074302922 786634941 /nfs/dbraw/zinc/63/49/41/786634941.db2.gz ZKBVOCQSOMGELI-MSOLQXFVSA-N 1 2 344.459 0.850 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)Cc3cn(CC)nn3)C[C@H]21 ZINC001074302834 786634972 /nfs/dbraw/zinc/63/49/72/786634972.db2.gz XVTOLWALIMBBDG-CVEARBPZSA-N 1 2 333.436 0.718 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3cn(CC)nn3)C[C@H]21 ZINC001074302834 786634979 /nfs/dbraw/zinc/63/49/79/786634979.db2.gz XVTOLWALIMBBDG-CVEARBPZSA-N 1 2 333.436 0.718 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3c(C)nn(C)c3C)C[C@H]21 ZINC001074307491 786642001 /nfs/dbraw/zinc/64/20/01/786642001.db2.gz JZFXBVRDQDPPIG-QZTJIDSGSA-N 1 2 344.459 0.904 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3c(C)nn(C)c3C)C[C@H]21 ZINC001074307491 786642008 /nfs/dbraw/zinc/64/20/08/786642008.db2.gz JZFXBVRDQDPPIG-QZTJIDSGSA-N 1 2 344.459 0.904 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCc3cnn(C)n3)C[C@@H]21 ZINC001074337664 786703063 /nfs/dbraw/zinc/70/30/63/786703063.db2.gz AFZRXPGTYCNRFH-HOTGVXAUSA-N 1 2 333.436 0.626 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCc3cnn(C)n3)C[C@@H]21 ZINC001074337664 786703072 /nfs/dbraw/zinc/70/30/72/786703072.db2.gz AFZRXPGTYCNRFH-HOTGVXAUSA-N 1 2 333.436 0.626 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]c(=O)cc3OC)C[C@H]21 ZINC001074341223 786710795 /nfs/dbraw/zinc/71/07/95/786710795.db2.gz QQWXLSTVIGFHSX-HUUCEWRRSA-N 1 2 345.399 0.734 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]c(=O)cc3OC)C[C@H]21 ZINC001074341223 786710800 /nfs/dbraw/zinc/71/08/00/786710800.db2.gz QQWXLSTVIGFHSX-HUUCEWRRSA-N 1 2 345.399 0.734 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3cc(Cl)cn3)C[C@H]21 ZINC001074348178 786727606 /nfs/dbraw/zinc/72/76/06/786727606.db2.gz IPSHTKYFSCZQLE-HUUCEWRRSA-N 1 2 336.823 0.862 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3cc(Cl)cn3)C[C@H]21 ZINC001074348178 786727610 /nfs/dbraw/zinc/72/76/10/786727610.db2.gz IPSHTKYFSCZQLE-HUUCEWRRSA-N 1 2 336.823 0.862 20 30 ECEDLO C=CCCCC(=O)N1CC(N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001073607205 786761813 /nfs/dbraw/zinc/76/18/13/786761813.db2.gz PVKWUPNGVHDMTJ-UHFFFAOYSA-N 1 2 345.447 0.664 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnn4cc[nH]c34)C[C@H]21 ZINC001074390936 786832392 /nfs/dbraw/zinc/83/23/92/786832392.db2.gz UYVISIQUEZYDQN-CABCVRRESA-N 1 2 327.388 0.601 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnn4cc[nH]c34)C[C@H]21 ZINC001074390936 786832406 /nfs/dbraw/zinc/83/24/06/786832406.db2.gz UYVISIQUEZYDQN-CABCVRRESA-N 1 2 327.388 0.601 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001073652437 786876961 /nfs/dbraw/zinc/87/69/61/786876961.db2.gz ZQYLOUGWDXCDMS-CHWSQXEVSA-N 1 2 329.828 0.615 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001073652437 786876972 /nfs/dbraw/zinc/87/69/72/786876972.db2.gz ZQYLOUGWDXCDMS-CHWSQXEVSA-N 1 2 329.828 0.615 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC001073671005 786926497 /nfs/dbraw/zinc/92/64/97/786926497.db2.gz ULNUDUIMQPLJGP-AWEZNQCLSA-N 1 2 339.823 0.959 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC001073671005 786926507 /nfs/dbraw/zinc/92/65/07/786926507.db2.gz ULNUDUIMQPLJGP-AWEZNQCLSA-N 1 2 339.823 0.959 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001073769443 787168219 /nfs/dbraw/zinc/16/82/19/787168219.db2.gz HGYGTBXGTGGIDO-MELADBBJSA-N 1 2 343.855 0.670 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001073769443 787168222 /nfs/dbraw/zinc/16/82/22/787168222.db2.gz HGYGTBXGTGGIDO-MELADBBJSA-N 1 2 343.855 0.670 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCCO[C@H](CNC(=O)c3nnc[nH]3)C2)s1 ZINC001073825029 787278924 /nfs/dbraw/zinc/27/89/24/787278924.db2.gz CMVSRECTJLCEDE-LLVKDONJSA-N 1 2 346.416 0.759 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCCO[C@H](CNC(=O)c3nnc[nH]3)C2)s1 ZINC001073825029 787278927 /nfs/dbraw/zinc/27/89/27/787278927.db2.gz CMVSRECTJLCEDE-LLVKDONJSA-N 1 2 346.416 0.759 20 30 ECEDLO CC(C)C#CC(=O)NCC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001074631832 787453012 /nfs/dbraw/zinc/45/30/12/787453012.db2.gz IDTOAEPOMQJPBR-UHFFFAOYSA-N 1 2 332.404 0.012 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC(O)(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001074662210 787533652 /nfs/dbraw/zinc/53/36/52/787533652.db2.gz KGAQAKZIEYYVFJ-UHFFFAOYSA-N 1 2 334.420 0.565 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001073959701 787585758 /nfs/dbraw/zinc/58/57/58/787585758.db2.gz HEXNJGXMUZWYFL-HOTGVXAUSA-N 1 2 346.431 0.666 20 30 ECEDLO C=C1CC(C)(C(=O)NCC2(O)CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001074692332 787614092 /nfs/dbraw/zinc/61/40/92/787614092.db2.gz FGLXZYYAOSKRLR-UHFFFAOYSA-N 1 2 346.431 0.778 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001074037018 787735331 /nfs/dbraw/zinc/73/53/31/787735331.db2.gz UIYIPVRCSBTSHC-CHWSQXEVSA-N 1 2 335.433 0.493 20 30 ECEDLO CCn1ncnc1C[N@@H+]1CCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001072592609 788387070 /nfs/dbraw/zinc/38/70/70/788387070.db2.gz JZGBLPPIVSNWJP-UHFFFAOYSA-N 1 2 339.403 0.846 20 30 ECEDLO CCn1ncnc1C[N@H+]1CCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001072592609 788387076 /nfs/dbraw/zinc/38/70/76/788387076.db2.gz JZGBLPPIVSNWJP-UHFFFAOYSA-N 1 2 339.403 0.846 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001075045665 788793087 /nfs/dbraw/zinc/79/30/87/788793087.db2.gz LXORCLXOSLUCPT-HUUCEWRRSA-N 1 2 332.404 0.419 20 30 ECEDLO CC1(NC(=O)Cc2[nH]cc[nH+]2)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001072959114 789165324 /nfs/dbraw/zinc/16/53/24/789165324.db2.gz GVIOYVVSBJFHSS-UHFFFAOYSA-N 1 2 340.387 0.963 20 30 ECEDLO C#CCOCCC(=O)N1CCC(C)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001073027583 789300277 /nfs/dbraw/zinc/30/02/77/789300277.db2.gz MMUSOUKQTNTRLA-UHFFFAOYSA-N 1 2 332.404 0.489 20 30 ECEDLO N#CCN[C@H]1CCO[C@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001075396748 789323014 /nfs/dbraw/zinc/32/30/14/789323014.db2.gz BXRAPFGAURAYIP-GJZGRUSLSA-N 1 2 331.420 0.852 20 30 ECEDLO C#CC[NH2+][C@@H]1CCO[C@@H](C2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001075397173 789323426 /nfs/dbraw/zinc/32/34/26/789323426.db2.gz IPGIBPSDSJRPDN-HUUCEWRRSA-N 1 2 331.420 0.356 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1nncn1C)C2 ZINC001073051303 789348917 /nfs/dbraw/zinc/34/89/17/789348917.db2.gz YCIKYXIJFSLKKD-HOCLYGCPSA-N 1 2 345.447 0.831 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1nncn1C)C2 ZINC001073051303 789348927 /nfs/dbraw/zinc/34/89/27/789348927.db2.gz YCIKYXIJFSLKKD-HOCLYGCPSA-N 1 2 345.447 0.831 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC1(C)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001073165113 789558447 /nfs/dbraw/zinc/55/84/47/789558447.db2.gz UJMDFKCHUHIOHV-GOSISDBHSA-N 1 2 348.447 0.787 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001073276833 789692230 /nfs/dbraw/zinc/69/22/30/789692230.db2.gz DTQRYAVQOUIMRI-QGZVFWFLSA-N 1 2 334.420 0.777 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001073344933 789747077 /nfs/dbraw/zinc/74/70/77/789747077.db2.gz XWYHQGWDEQACAW-AWEZNQCLSA-N 1 2 334.420 0.829 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CCC(CC)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001069377295 789784920 /nfs/dbraw/zinc/78/49/20/789784920.db2.gz XJSLZCYHRRVFTJ-HNNXBMFYSA-N 1 2 346.431 0.809 20 30 ECEDLO CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1Nc1cncc(C#N)n1 ZINC001069574752 789911225 /nfs/dbraw/zinc/91/12/25/789911225.db2.gz UOPAJBYTXGFTOH-CYBMUJFWSA-N 1 2 325.376 0.894 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3C[C@@H](C)CC(=O)N3)c2C1 ZINC001069860997 790113355 /nfs/dbraw/zinc/11/33/55/790113355.db2.gz RGOUUPHFIJEQIA-UKRRQHHQSA-N 1 2 345.447 0.806 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3C[C@@H](C)CC(=O)N3)c2C1 ZINC001069860997 790113357 /nfs/dbraw/zinc/11/33/57/790113357.db2.gz RGOUUPHFIJEQIA-UKRRQHHQSA-N 1 2 345.447 0.806 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2csnc2C)[C@@H](n2ccnn2)C1 ZINC001069910836 790179463 /nfs/dbraw/zinc/17/94/63/790179463.db2.gz LFGXNXZSRYTCSS-KGLIPLIRSA-N 1 2 330.417 0.722 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2csnc2C)[C@@H](n2ccnn2)C1 ZINC001069910836 790179465 /nfs/dbraw/zinc/17/94/65/790179465.db2.gz LFGXNXZSRYTCSS-KGLIPLIRSA-N 1 2 330.417 0.722 20 30 ECEDLO CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](n2ccnn2)C1 ZINC001069911449 790179747 /nfs/dbraw/zinc/17/97/47/790179747.db2.gz PYGOXKSXJKCHAW-GLQYFDAESA-N 1 2 345.382 0.881 20 30 ECEDLO CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](n2ccnn2)C1 ZINC001069911449 790179754 /nfs/dbraw/zinc/17/97/54/790179754.db2.gz PYGOXKSXJKCHAW-GLQYFDAESA-N 1 2 345.382 0.881 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)ccn2C)[C@@H](n2ccnn2)C1 ZINC001069916169 790185844 /nfs/dbraw/zinc/18/58/44/790185844.db2.gz IFJHUXAJNBEKKY-CABCVRRESA-N 1 2 326.404 0.604 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c(C)ccn2C)[C@@H](n2ccnn2)C1 ZINC001069916169 790185846 /nfs/dbraw/zinc/18/58/46/790185846.db2.gz IFJHUXAJNBEKKY-CABCVRRESA-N 1 2 326.404 0.604 20 30 ECEDLO C#CCCCCC(=O)N[C@H]1COC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001068822025 791199651 /nfs/dbraw/zinc/19/96/51/791199651.db2.gz SYYPTQJQHJHCJV-OAHLLOKOSA-N 1 2 344.415 0.632 20 30 ECEDLO C#CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)CCc1[nH]cc[nH+]1)CO2 ZINC001068845382 791250221 /nfs/dbraw/zinc/25/02/21/791250221.db2.gz UEHVIMVHMVGQJY-AWEZNQCLSA-N 1 2 344.415 0.632 20 30 ECEDLO C[C@@H]1[C@@H](Nc2ccc(C#N)nn2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001068872595 791315165 /nfs/dbraw/zinc/31/51/65/791315165.db2.gz NDMZICRHMUQHHL-RISCZKNCSA-N 1 2 325.376 0.726 20 30 ECEDLO C=C(C)CCC(=O)N[C@H]1COC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001068891316 791353637 /nfs/dbraw/zinc/35/36/37/791353637.db2.gz LLIBEIXQTSHHHE-CYBMUJFWSA-N 1 2 332.404 0.795 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)C[C@@H](NC(=O)Cn1cc[nH+]c1)CO2 ZINC001068915088 791409156 /nfs/dbraw/zinc/40/91/56/791409156.db2.gz HSYWJCGZDBGVBG-HUUCEWRRSA-N 1 2 346.431 0.972 20 30 ECEDLO C=CCCC(=O)N1CC2(C1)C[C@@H](NC(=O)CCc1c[nH+]cn1C)CO2 ZINC001068951653 791491474 /nfs/dbraw/zinc/49/14/74/791491474.db2.gz PDKSDFVQDBAMFM-CQSZACIVSA-N 1 2 346.431 0.805 20 30 ECEDLO C[C@@H](C#N)C(=O)N[C@H]1COC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001069004344 791577165 /nfs/dbraw/zinc/57/71/65/791577165.db2.gz VXCRAKUSUJDVIH-NWDGAFQWSA-N 1 2 345.403 0.333 20 30 ECEDLO N#Cc1ccc(NC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CCO2)cn1 ZINC001066681053 791977509 /nfs/dbraw/zinc/97/75/09/791977509.db2.gz RNJPWMZOPJULTQ-HNNXBMFYSA-N 1 2 326.360 0.558 20 30 ECEDLO N#Cc1cccnc1NC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001066681450 791977617 /nfs/dbraw/zinc/97/76/17/791977617.db2.gz ZHLNDFCAMGGLFA-CQSZACIVSA-N 1 2 326.360 0.558 20 30 ECEDLO N#Cc1ccc(NC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CCO2)cn1 ZINC001066688235 791994445 /nfs/dbraw/zinc/99/44/45/791994445.db2.gz YLKOHVGPPLIVHY-MRXNPFEDSA-N 1 2 340.387 0.948 20 30 ECEDLO N#Cc1ccc(NC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CCO2)cn1 ZINC001066688235 791994453 /nfs/dbraw/zinc/99/44/53/791994453.db2.gz YLKOHVGPPLIVHY-MRXNPFEDSA-N 1 2 340.387 0.948 20 30 ECEDLO N#Cc1cnccc1NC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001066688287 791994699 /nfs/dbraw/zinc/99/46/99/791994699.db2.gz ZUUSTHJTAGHMJT-OAHLLOKOSA-N 1 2 340.387 0.370 20 30 ECEDLO N#Cc1cnccc1NC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001066688287 791994703 /nfs/dbraw/zinc/99/47/03/791994703.db2.gz ZUUSTHJTAGHMJT-OAHLLOKOSA-N 1 2 340.387 0.370 20 30 ECEDLO CCCC(=O)N1CC[C@@H]([NH+]2CCN(c3nccnc3C#N)CC2)C1 ZINC001066698783 792020318 /nfs/dbraw/zinc/02/03/18/792020318.db2.gz OYYNQXZNFUEGKB-CQSZACIVSA-N 1 2 328.420 0.871 20 30 ECEDLO CO[C@@H](C)C(=O)N1CC[C@H]([NH+]2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001066699444 792023067 /nfs/dbraw/zinc/02/30/67/792023067.db2.gz XVYTWKFUQPVDSL-KBPBESRZSA-N 1 2 344.419 0.106 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]([NH+]2CCN(c3cc(F)ncn3)CC2)C1 ZINC001066701525 792029357 /nfs/dbraw/zinc/02/93/57/792029357.db2.gz ZWQCVXCNXPLKOF-OAHLLOKOSA-N 1 2 343.406 0.752 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1)c1nccnc1C#N ZINC001067748734 792220332 /nfs/dbraw/zinc/22/03/32/792220332.db2.gz FEOXDOQZSGJAHI-UKRRQHHQSA-N 1 2 344.419 0.106 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1)c1nccnc1C#N ZINC001067748734 792220342 /nfs/dbraw/zinc/22/03/42/792220342.db2.gz FEOXDOQZSGJAHI-UKRRQHHQSA-N 1 2 344.419 0.106 20 30 ECEDLO N#Cc1nccc(N[C@]2(CO)CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001066909933 792357187 /nfs/dbraw/zinc/35/71/87/792357187.db2.gz ATUXRMUZGNLHKS-MRXNPFEDSA-N 1 2 341.375 0.079 20 30 ECEDLO C[C@H]1CCN(c2nccnc2C#N)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067962854 792512852 /nfs/dbraw/zinc/51/28/52/792512852.db2.gz GNHKYAAUVVWSBI-SWLSCSKDSA-N 1 2 339.403 0.655 20 30 ECEDLO C[C@H]1CCN(c2ccnc(C#N)n2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067966101 792518468 /nfs/dbraw/zinc/51/84/68/792518468.db2.gz VNFBTMGGXDYJDH-QWHCGFSZSA-N 1 2 325.376 0.576 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[C@H](C)[C@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001067966133 792518511 /nfs/dbraw/zinc/51/85/11/792518511.db2.gz WCDYVHPRTGDQQA-SWLSCSKDSA-N 1 2 339.403 0.884 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[C@@H](C)[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001067966861 792520060 /nfs/dbraw/zinc/52/00/60/792520060.db2.gz FYIGPNTXLFJRGD-RISCZKNCSA-N 1 2 339.403 0.954 20 30 ECEDLO C=CCOCC(=O)N(C)CCCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001067001055 792544604 /nfs/dbraw/zinc/54/46/04/792544604.db2.gz KLPKEGUDCFXKKM-HNNXBMFYSA-N 1 2 348.447 0.955 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CN(c2cnc(C#N)cn2)CC1(C)C ZINC001068115118 792696517 /nfs/dbraw/zinc/69/65/17/792696517.db2.gz DBIWZDTUOHNHRJ-AWEZNQCLSA-N 1 2 339.403 0.655 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(c2nccnc2C#N)CC1(C)C ZINC001068117906 792701382 /nfs/dbraw/zinc/70/13/82/792701382.db2.gz LPBWHFZCMAVNRD-CQSZACIVSA-N 1 2 339.403 0.954 20 30 ECEDLO C[C@@H]1C[C@@H](CNc2ccc(C#N)nn2)CN1C(=O)Cn1cc[nH+]c1 ZINC001068335852 793070742 /nfs/dbraw/zinc/07/07/42/793070742.db2.gz QLCDVYPAMRMTEW-OLZOCXBDSA-N 1 2 325.376 0.894 20 30 ECEDLO C[C@H]1CN(c2cnc(C#N)cn2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067404064 793106748 /nfs/dbraw/zinc/10/67/48/793106748.db2.gz VLUASPRHQRSWDP-GXTWGEPZSA-N 1 2 325.376 0.576 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067403946 793107070 /nfs/dbraw/zinc/10/70/70/793107070.db2.gz UBTSPBYRFURZLS-STQMWFEESA-N 1 2 325.376 0.576 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1C ZINC001067407692 793111363 /nfs/dbraw/zinc/11/13/63/793111363.db2.gz KBJDXYVWJNYFNI-FZMZJTMJSA-N 1 2 339.403 0.954 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001067427284 793140737 /nfs/dbraw/zinc/14/07/37/793140737.db2.gz QAWQPDHLHKEOHH-AWEZNQCLSA-N 1 2 334.420 0.308 20 30 ECEDLO C[C@@H]1C[C@H](CNc2ccnc(C#N)n2)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001068380941 793158731 /nfs/dbraw/zinc/15/87/31/793158731.db2.gz NDAXKWUNARLCPV-CHWSQXEVSA-N 1 2 339.403 0.775 20 30 ECEDLO C[C@@H]1C[C@H](CNc2ccnc(C#N)n2)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001068380941 793158734 /nfs/dbraw/zinc/15/87/34/793158734.db2.gz NDAXKWUNARLCPV-CHWSQXEVSA-N 1 2 339.403 0.775 20 30 ECEDLO C#CCCCC(=O)N1CCOC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001068389844 793185493 /nfs/dbraw/zinc/18/54/93/793185493.db2.gz REEXLOUOMSZCSV-UHFFFAOYSA-N 1 2 330.388 0.196 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCOC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001068433107 793306889 /nfs/dbraw/zinc/30/68/89/793306889.db2.gz GTNXEDPNTKIKBO-HUUCEWRRSA-N 1 2 346.431 0.781 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[C@@H]1CC[N@@H+](Cc2noc(CC)n2)C1 ZINC001267530954 837703358 /nfs/dbraw/zinc/70/33/58/837703358.db2.gz ICOMRRYXBYVSOW-ZIAGYGMSSA-N 1 2 334.420 0.999 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[C@@H]1CC[N@H+](Cc2noc(CC)n2)C1 ZINC001267530954 837703363 /nfs/dbraw/zinc/70/33/63/837703363.db2.gz ICOMRRYXBYVSOW-ZIAGYGMSSA-N 1 2 334.420 0.999 20 30 ECEDLO C=C(C)CCC(=O)N(C)CCN1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC001267572480 837810550 /nfs/dbraw/zinc/81/05/50/837810550.db2.gz LZHJHQSTYWKLCE-INIZCTEOSA-N 1 2 336.480 0.697 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)COc2ccccc2)C1 ZINC001266248194 835553689 /nfs/dbraw/zinc/55/36/89/835553689.db2.gz HNGTZZTUFISKKC-HNNXBMFYSA-N 1 2 329.400 0.395 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)COc2ccccc2)C1 ZINC001266248194 835553694 /nfs/dbraw/zinc/55/36/94/835553694.db2.gz HNGTZZTUFISKKC-HNNXBMFYSA-N 1 2 329.400 0.395 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001266254369 835560445 /nfs/dbraw/zinc/56/04/45/835560445.db2.gz HLSCGTFMQDRDOC-OAHLLOKOSA-N 1 2 345.447 0.716 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001266254369 835560449 /nfs/dbraw/zinc/56/04/49/835560449.db2.gz HLSCGTFMQDRDOC-OAHLLOKOSA-N 1 2 345.447 0.716 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(CCNC(=O)c2ccc(C)o2)CC1 ZINC001266279302 835606509 /nfs/dbraw/zinc/60/65/09/835606509.db2.gz LLMIBKLUQJXJJH-OAHLLOKOSA-N 1 2 348.447 0.626 20 30 ECEDLO C[C@H](C(=O)NCC[N@H+](C)Cc1ccccc1C#N)N1C(=O)CCC1=O ZINC001266280811 835609314 /nfs/dbraw/zinc/60/93/14/835609314.db2.gz USFOIKZDWZCZCQ-CYBMUJFWSA-N 1 2 342.399 0.644 20 30 ECEDLO C[C@H](C(=O)NCC[N@@H+](C)Cc1ccccc1C#N)N1C(=O)CCC1=O ZINC001266280811 835609320 /nfs/dbraw/zinc/60/93/20/835609320.db2.gz USFOIKZDWZCZCQ-CYBMUJFWSA-N 1 2 342.399 0.644 20 30 ECEDLO COCC#CCN1CC[NH+](CCNC(=O)CC[C@@H](C)OC)CC1 ZINC001266283053 835613541 /nfs/dbraw/zinc/61/35/41/835613541.db2.gz CBLAUVSZGDWNHX-MRXNPFEDSA-N 1 2 325.453 0.185 20 30 ECEDLO COCC#CC[NH+]1CCN(CCNC(=O)CC[C@@H](C)OC)CC1 ZINC001266283053 835613544 /nfs/dbraw/zinc/61/35/44/835613544.db2.gz CBLAUVSZGDWNHX-MRXNPFEDSA-N 1 2 325.453 0.185 20 30 ECEDLO CC(C)(C)C#CC(=O)NCCN1CC[NH+](CCNC(=O)C2CC2)CC1 ZINC001266283348 835614213 /nfs/dbraw/zinc/61/42/13/835614213.db2.gz NNQNKKYEJKJBFE-UHFFFAOYSA-N 1 2 348.491 0.296 20 30 ECEDLO CC(C)(C)C#CC(=O)NCC[NH+]1CCN(CCNC(=O)C2CC2)CC1 ZINC001266283348 835614217 /nfs/dbraw/zinc/61/42/17/835614217.db2.gz NNQNKKYEJKJBFE-UHFFFAOYSA-N 1 2 348.491 0.296 20 30 ECEDLO C#CCN1CC[NH+](CCNC(=O)C[C@@H]2CCOC[C@H]2OCC)CC1 ZINC001266288040 835630615 /nfs/dbraw/zinc/63/06/15/835630615.db2.gz OYTKFVQMHBELND-DLBZAZTESA-N 1 2 337.464 0.185 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCC[N@@H+](C)CC(=O)NC[C@H]1CCOC1 ZINC001266306210 835670247 /nfs/dbraw/zinc/67/02/47/835670247.db2.gz HNSJHYTXOKQDNK-CQSZACIVSA-N 1 2 325.453 0.789 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCC[N@H+](C)CC(=O)NC[C@H]1CCOC1 ZINC001266306210 835670249 /nfs/dbraw/zinc/67/02/49/835670249.db2.gz HNSJHYTXOKQDNK-CQSZACIVSA-N 1 2 325.453 0.789 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001266336774 835720350 /nfs/dbraw/zinc/72/03/50/835720350.db2.gz VZSJHWITMJJMGX-QWHCGFSZSA-N 1 2 327.375 0.752 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001266336774 835720355 /nfs/dbraw/zinc/72/03/55/835720355.db2.gz VZSJHWITMJJMGX-QWHCGFSZSA-N 1 2 327.375 0.752 20 30 ECEDLO CC(C)[C@@H](C(=O)NCC[N@H+](C)CC(=O)NCC#N)c1cccnc1 ZINC001266341708 835727413 /nfs/dbraw/zinc/72/74/13/835727413.db2.gz ACDVHPDPBCZTJE-MRXNPFEDSA-N 1 2 331.420 0.509 20 30 ECEDLO CC(C)[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NCC#N)c1cccnc1 ZINC001266341708 835727416 /nfs/dbraw/zinc/72/74/16/835727416.db2.gz ACDVHPDPBCZTJE-MRXNPFEDSA-N 1 2 331.420 0.509 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC(=O)NCC(F)(F)F)C1 ZINC001266350765 835748006 /nfs/dbraw/zinc/74/80/06/835748006.db2.gz XWAFMRRJURIIOX-SECBINFHSA-N 1 2 327.734 0.998 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC(=O)NCC(F)(F)F)C1 ZINC001266350765 835748013 /nfs/dbraw/zinc/74/80/13/835748013.db2.gz XWAFMRRJURIIOX-SECBINFHSA-N 1 2 327.734 0.998 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccccc2Cl)C1 ZINC001266355369 835760040 /nfs/dbraw/zinc/76/00/40/835760040.db2.gz GXKLUBQPJJOFEN-CYBMUJFWSA-N 1 2 334.807 0.713 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2Cl)C1 ZINC001266355369 835760045 /nfs/dbraw/zinc/76/00/45/835760045.db2.gz GXKLUBQPJJOFEN-CYBMUJFWSA-N 1 2 334.807 0.713 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc3c[nH]nc3c2)C1 ZINC001266357128 835762861 /nfs/dbraw/zinc/76/28/61/835762861.db2.gz YUDGYPOLAVJSPI-OAHLLOKOSA-N 1 2 339.399 0.045 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc3c[nH]nc3c2)C1 ZINC001266357128 835762871 /nfs/dbraw/zinc/76/28/71/835762871.db2.gz YUDGYPOLAVJSPI-OAHLLOKOSA-N 1 2 339.399 0.045 20 30 ECEDLO C=CCC(CC=C)C(=O)NC[C@@H]1CCC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001266465567 835867785 /nfs/dbraw/zinc/86/77/85/835867785.db2.gz XTSZVPRPMOZGII-AWEZNQCLSA-N 1 2 333.436 0.957 20 30 ECEDLO C=CCC(CC=C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001266465567 835867792 /nfs/dbraw/zinc/86/77/92/835867792.db2.gz XTSZVPRPMOZGII-AWEZNQCLSA-N 1 2 333.436 0.957 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C1(c2cccnc2)CC1 ZINC001266477084 835878633 /nfs/dbraw/zinc/87/86/33/835878633.db2.gz ISBAMOACSXGXEH-HNNXBMFYSA-N 1 2 341.415 0.334 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C1(c2cccnc2)CC1 ZINC001266477084 835878637 /nfs/dbraw/zinc/87/86/37/835878637.db2.gz ISBAMOACSXGXEH-HNNXBMFYSA-N 1 2 341.415 0.334 20 30 ECEDLO COCC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC(=O)NC1 ZINC001266489587 835889199 /nfs/dbraw/zinc/88/91/99/835889199.db2.gz KFKZWQMEDXLBRK-HRCADAONSA-N 1 2 333.432 0.228 20 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/nfs/dbraw/zinc/94/75/00/836947500.db2.gz DARSULPAPASNCA-UHFFFAOYSA-N 1 2 339.399 0.620 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCNC(=O)Cc2cc[nH]n2)c1 ZINC001267188638 836947511 /nfs/dbraw/zinc/94/75/11/836947511.db2.gz DARSULPAPASNCA-UHFFFAOYSA-N 1 2 339.399 0.620 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1scnc1C(F)(F)F ZINC001267199145 836970051 /nfs/dbraw/zinc/97/00/51/836970051.db2.gz HKPUCEGTAHFSCJ-UHFFFAOYSA-N 1 2 348.350 0.573 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1scnc1C(F)(F)F ZINC001267199145 836970057 /nfs/dbraw/zinc/97/00/57/836970057.db2.gz HKPUCEGTAHFSCJ-UHFFFAOYSA-N 1 2 348.350 0.573 20 30 ECEDLO C#Cc1ccc(C(=O)NCC[N@@H+](C)CC(=O)NC[C@H]2CCOC2)cc1 ZINC001267211506 836999030 /nfs/dbraw/zinc/99/90/30/836999030.db2.gz WCLGXRYBLZZFKH-MRXNPFEDSA-N 1 2 343.427 0.482 20 30 ECEDLO C#Cc1ccc(C(=O)NCC[N@H+](C)CC(=O)NC[C@H]2CCOC2)cc1 ZINC001267211506 836999035 /nfs/dbraw/zinc/99/90/35/836999035.db2.gz WCLGXRYBLZZFKH-MRXNPFEDSA-N 1 2 343.427 0.482 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1cnoc1-c1ccccc1 ZINC001267224751 837019900 /nfs/dbraw/zinc/01/99/00/837019900.db2.gz LOLXRDAJOUIHAC-UHFFFAOYSA-N 1 2 340.383 0.753 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1cnoc1-c1ccccc1 ZINC001267224751 837019911 /nfs/dbraw/zinc/01/99/11/837019911.db2.gz LOLXRDAJOUIHAC-UHFFFAOYSA-N 1 2 340.383 0.753 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ncc(OC)cc1F ZINC001267268556 837105199 /nfs/dbraw/zinc/10/51/99/837105199.db2.gz ALHVONUCOHXSNA-GFCCVEGCSA-N 1 2 348.378 0.173 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ncc(OC)cc1F ZINC001267268556 837105202 /nfs/dbraw/zinc/10/52/02/837105202.db2.gz ALHVONUCOHXSNA-GFCCVEGCSA-N 1 2 348.378 0.173 20 30 ECEDLO C=CCOCC[N@H+]1CCC[C@@H]1CNC(=O)[C@]1(C)CCCS1(=O)=O ZINC001267277748 837123014 /nfs/dbraw/zinc/12/30/14/837123014.db2.gz AKUFTANSTKRCCY-ZBFHGGJFSA-N 1 2 344.477 0.737 20 30 ECEDLO C=CCOCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1(C)CCCS1(=O)=O ZINC001267277748 837123021 /nfs/dbraw/zinc/12/30/21/837123021.db2.gz AKUFTANSTKRCCY-ZBFHGGJFSA-N 1 2 344.477 0.737 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1cnnn1C ZINC001267277911 837124020 /nfs/dbraw/zinc/12/40/20/837124020.db2.gz COZKPAZCGSQNES-ZBFHGGJFSA-N 1 2 348.451 0.367 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1cnnn1C ZINC001267277911 837124024 /nfs/dbraw/zinc/12/40/24/837124024.db2.gz COZKPAZCGSQNES-ZBFHGGJFSA-N 1 2 348.451 0.367 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cnn(C)c2CC)C1 ZINC001267615476 837996153 /nfs/dbraw/zinc/99/61/53/837996153.db2.gz AOGIPAQADNDBBW-ZIAGYGMSSA-N 1 2 347.463 0.867 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cnn(C)c2CC)C1 ZINC001267615476 837996161 /nfs/dbraw/zinc/99/61/61/837996161.db2.gz AOGIPAQADNDBBW-ZIAGYGMSSA-N 1 2 347.463 0.867 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cc2ccc(OC)cn2)C1 ZINC001267618554 838051846 /nfs/dbraw/zinc/05/18/46/838051846.db2.gz QVAYSDLAKJVOTL-OAHLLOKOSA-N 1 2 346.431 0.516 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(OC)cn2)C1 ZINC001267618554 838051859 /nfs/dbraw/zinc/05/18/59/838051859.db2.gz QVAYSDLAKJVOTL-OAHLLOKOSA-N 1 2 346.431 0.516 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cnc(C)nc2C)C1 ZINC001267618794 838052184 /nfs/dbraw/zinc/05/21/84/838052184.db2.gz YHUNEVMQJZRRQQ-DZGCQCFKSA-N 1 2 345.447 0.978 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cnc(C)nc2C)C1 ZINC001267618794 838052197 /nfs/dbraw/zinc/05/21/97/838052197.db2.gz YHUNEVMQJZRRQQ-DZGCQCFKSA-N 1 2 345.447 0.978 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)c2n[nH]c3c2CCC3)C1 ZINC001267627575 838078061 /nfs/dbraw/zinc/07/80/61/838078061.db2.gz IGVIGWWTZUOWBJ-STQMWFEESA-N 1 2 343.431 0.231 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2n[nH]c3c2CCC3)C1 ZINC001267627575 838078068 /nfs/dbraw/zinc/07/80/68/838078068.db2.gz IGVIGWWTZUOWBJ-STQMWFEESA-N 1 2 343.431 0.231 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@](C)(C=C)CCOC)C1 ZINC001267628913 838085191 /nfs/dbraw/zinc/08/51/91/838085191.db2.gz NALYPFAENXIJIK-YJBOKZPZSA-N 1 2 335.448 0.545 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@](C)(C=C)CCOC)C1 ZINC001267628913 838085204 /nfs/dbraw/zinc/08/52/04/838085204.db2.gz NALYPFAENXIJIK-YJBOKZPZSA-N 1 2 335.448 0.545 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)C2(C)CCOCC2)C1 ZINC001267632926 838093865 /nfs/dbraw/zinc/09/38/65/838093865.db2.gz WGRAVMCQSYAJDJ-CABCVRRESA-N 1 2 335.448 0.522 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C2(C)CCOCC2)C1 ZINC001267632926 838093876 /nfs/dbraw/zinc/09/38/76/838093876.db2.gz WGRAVMCQSYAJDJ-CABCVRRESA-N 1 2 335.448 0.522 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)c2ccc(C#C)nc2)C1 ZINC001267633765 838102413 /nfs/dbraw/zinc/10/24/13/838102413.db2.gz NYUIBJKFFWIBHW-PBHICJAKSA-N 1 2 338.411 0.395 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2ccc(C#C)nc2)C1 ZINC001267633765 838102421 /nfs/dbraw/zinc/10/24/21/838102421.db2.gz NYUIBJKFFWIBHW-PBHICJAKSA-N 1 2 338.411 0.395 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC(CNC(=O)/C=C(/C)CC)C1 ZINC001267680411 838238222 /nfs/dbraw/zinc/23/82/22/838238222.db2.gz LEPCSZATOQPLSU-FSBNRTBOSA-N 1 2 336.436 0.791 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)Cc2cccc(C3CC3)c2)C1 ZINC001267685705 838251986 /nfs/dbraw/zinc/25/19/86/838251986.db2.gz GGCZBAATVPPLSW-UHFFFAOYSA-N 1 2 339.439 0.904 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2cnn(CCC)c2)C1 ZINC001267693545 838277375 /nfs/dbraw/zinc/27/73/75/838277375.db2.gz JMAJGBSVAHNNQO-ZDUSSCGKSA-N 1 2 331.420 0.093 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](NC(C)=O)C(C)(C)C ZINC001267716999 838361192 /nfs/dbraw/zinc/36/11/92/838361192.db2.gz UZTMKSOBAOZHRQ-HRCADAONSA-N 1 2 335.448 0.472 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](NC(C)=O)C(C)(C)C ZINC001267716999 838361203 /nfs/dbraw/zinc/36/12/03/838361203.db2.gz UZTMKSOBAOZHRQ-HRCADAONSA-N 1 2 335.448 0.472 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2cncc(C)c2)C1 ZINC001267721240 838375228 /nfs/dbraw/zinc/37/52/28/838375228.db2.gz OQNBNVXUHXRTJS-AWEZNQCLSA-N 1 2 345.403 0.206 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cncc(C)c2)C1 ZINC001267721240 838375237 /nfs/dbraw/zinc/37/52/37/838375237.db2.gz OQNBNVXUHXRTJS-AWEZNQCLSA-N 1 2 345.403 0.206 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c(C)[nH]nc2Cl)C1 ZINC001267725989 838398143 /nfs/dbraw/zinc/39/81/43/838398143.db2.gz LPBSKQYYLZLZSR-JTQLQIEISA-N 1 2 325.800 0.478 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c(C)[nH]nc2Cl)C1 ZINC001267725989 838398151 /nfs/dbraw/zinc/39/81/51/838398151.db2.gz LPBSKQYYLZLZSR-JTQLQIEISA-N 1 2 325.800 0.478 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(C)C)C1 ZINC001267732061 838423693 /nfs/dbraw/zinc/42/36/93/838423693.db2.gz AWFSOIAFIKWDAH-AWEZNQCLSA-N 1 2 346.431 0.975 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](CC(=O)NC(C)C)C1 ZINC001267732061 838423698 /nfs/dbraw/zinc/42/36/98/838423698.db2.gz AWFSOIAFIKWDAH-AWEZNQCLSA-N 1 2 346.431 0.975 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001267735980 838430741 /nfs/dbraw/zinc/43/07/41/838430741.db2.gz OTUHLOWFDXTEFK-AWEZNQCLSA-N 1 2 331.420 0.326 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001267735980 838430746 /nfs/dbraw/zinc/43/07/46/838430746.db2.gz OTUHLOWFDXTEFK-AWEZNQCLSA-N 1 2 331.420 0.326 20 30 ECEDLO N#CCSCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC001267737310 838433683 /nfs/dbraw/zinc/43/36/83/838433683.db2.gz GHUHTTIILBMXNC-CQSZACIVSA-N 1 2 338.477 0.883 20 30 ECEDLO N#CCSCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC001267737310 838433686 /nfs/dbraw/zinc/43/36/86/838433686.db2.gz GHUHTTIILBMXNC-CQSZACIVSA-N 1 2 338.477 0.883 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c(Cl)cnn2CC)C1 ZINC001267741488 838441887 /nfs/dbraw/zinc/44/18/87/838441887.db2.gz AEPLSIYWPUFBPJ-LLVKDONJSA-N 1 2 339.827 0.663 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c(Cl)cnn2CC)C1 ZINC001267741488 838441892 /nfs/dbraw/zinc/44/18/92/838441892.db2.gz AEPLSIYWPUFBPJ-LLVKDONJSA-N 1 2 339.827 0.663 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3ccccc3O2)C1 ZINC001267751400 838474051 /nfs/dbraw/zinc/47/40/51/838474051.db2.gz XGOYEEULKXEWSR-NVXWUHKLSA-N 1 2 343.427 0.873 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3ccccc3O2)C1 ZINC001267751400 838474052 /nfs/dbraw/zinc/47/40/52/838474052.db2.gz XGOYEEULKXEWSR-NVXWUHKLSA-N 1 2 343.427 0.873 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COc3ccccc32)C1 ZINC001267753566 838476243 /nfs/dbraw/zinc/47/62/43/838476243.db2.gz GQHSBEVFBRFECJ-UKRRQHHQSA-N 1 2 329.400 0.655 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2COc3ccccc32)C1 ZINC001267753566 838476245 /nfs/dbraw/zinc/47/62/45/838476245.db2.gz GQHSBEVFBRFECJ-UKRRQHHQSA-N 1 2 329.400 0.655 20 30 ECEDLO CCOc1ccc(C(=O)N(C)[C@H]2CC[N@H+](CC(=O)NCC#N)C2)cn1 ZINC001267764033 838496544 /nfs/dbraw/zinc/49/65/44/838496544.db2.gz QXMVSLXOZPQNGR-AWEZNQCLSA-N 1 2 345.403 0.266 20 30 ECEDLO CCOc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)cn1 ZINC001267764033 838496549 /nfs/dbraw/zinc/49/65/49/838496549.db2.gz QXMVSLXOZPQNGR-AWEZNQCLSA-N 1 2 345.403 0.266 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cnco2)C1 ZINC001267769533 838514613 /nfs/dbraw/zinc/51/46/13/838514613.db2.gz YDTDSNVUSAKKFH-NEPJUHHUSA-N 1 2 349.391 0.221 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cnco2)C1 ZINC001267769533 838514622 /nfs/dbraw/zinc/51/46/22/838514622.db2.gz YDTDSNVUSAKKFH-NEPJUHHUSA-N 1 2 349.391 0.221 20 30 ECEDLO Cc1cnc(C(=O)N(C)[C@H]2CC[N@H+](CC(=O)NCC#N)C2)c(C)c1 ZINC001267769696 838516863 /nfs/dbraw/zinc/51/68/63/838516863.db2.gz ZCNLNHKUKLNDJS-AWEZNQCLSA-N 1 2 329.404 0.485 20 30 ECEDLO Cc1cnc(C(=O)N(C)[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)c(C)c1 ZINC001267769696 838516869 /nfs/dbraw/zinc/51/68/69/838516869.db2.gz ZCNLNHKUKLNDJS-AWEZNQCLSA-N 1 2 329.404 0.485 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)C(C)C)C1 ZINC001267774616 838537304 /nfs/dbraw/zinc/53/73/04/838537304.db2.gz YAXIRDCILJARCF-KGLIPLIRSA-N 1 2 338.452 0.823 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)C(C)C)C1 ZINC001267774616 838537307 /nfs/dbraw/zinc/53/73/07/838537307.db2.gz YAXIRDCILJARCF-KGLIPLIRSA-N 1 2 338.452 0.823 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc(OC)n2)C1 ZINC001267790414 838572649 /nfs/dbraw/zinc/57/26/49/838572649.db2.gz NBTYBHLKKXYBKX-CQSZACIVSA-N 1 2 346.431 0.929 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(OC)n2)C1 ZINC001267790414 838572654 /nfs/dbraw/zinc/57/26/54/838572654.db2.gz NBTYBHLKKXYBKX-CQSZACIVSA-N 1 2 346.431 0.929 20 30 ECEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@]2(C3CCCC3)CCNC2=O)C1 ZINC001268024348 839013132 /nfs/dbraw/zinc/01/31/32/839013132.db2.gz CRFATMPKIFAOPV-QAPCUYQASA-N 1 2 335.448 0.686 20 30 ECEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@]2(C3CCCC3)CCNC2=O)C1 ZINC001268024348 839013142 /nfs/dbraw/zinc/01/31/42/839013142.db2.gz CRFATMPKIFAOPV-QAPCUYQASA-N 1 2 335.448 0.686 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](CCOCC=C)CCO2)cn1 ZINC001268030434 839050736 /nfs/dbraw/zinc/05/07/36/839050736.db2.gz RBEDASHVVBGXJI-QGZVFWFLSA-N 1 2 329.400 0.696 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCOCC=C)CCO2)cn1 ZINC001268030434 839050748 /nfs/dbraw/zinc/05/07/48/839050748.db2.gz RBEDASHVVBGXJI-QGZVFWFLSA-N 1 2 329.400 0.696 20 30 ECEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cn1cnc(C#N)n1)c1cccc(F)c1 ZINC000425961636 210125128 /nfs/dbraw/zinc/12/51/28/210125128.db2.gz UDXDUXDJAYQNIK-HNNXBMFYSA-N 1 2 339.334 0.928 20 30 ECEDLO CN1C(=O)NCC12CC[NH+]([C@@H](C(N)=O)c1ccc(C#N)cc1)CC2 ZINC000425549641 210071123 /nfs/dbraw/zinc/07/11/23/210071123.db2.gz YFZLLUSLTVMLMJ-CQSZACIVSA-N 1 2 327.388 0.574 20 30 ECEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[NH+](CCCO)CC1 ZINC000182442797 234611439 /nfs/dbraw/zinc/61/14/39/234611439.db2.gz FCCQMOVSLDLEFX-UHFFFAOYSA-N 1 2 343.836 0.900 20 30 ECEDLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000187966956 236362084 /nfs/dbraw/zinc/36/20/84/236362084.db2.gz WUWUIZJTVOOWKE-NSHDSACASA-N 1 2 343.836 0.899 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCCCSC)CC1 ZINC000265847258 201218016 /nfs/dbraw/zinc/21/80/16/201218016.db2.gz WRQXKQFYGHMVJX-UHFFFAOYSA-N 1 2 325.478 0.803 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCCSC)CC1 ZINC000265847258 201218018 /nfs/dbraw/zinc/21/80/18/201218018.db2.gz WRQXKQFYGHMVJX-UHFFFAOYSA-N 1 2 325.478 0.803 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000267792238 201224495 /nfs/dbraw/zinc/22/44/95/201224495.db2.gz VEXREKGQKQUUQC-UHFFFAOYSA-N 1 2 330.413 0.517 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000267792238 201224499 /nfs/dbraw/zinc/22/44/99/201224499.db2.gz VEXREKGQKQUUQC-UHFFFAOYSA-N 1 2 330.413 0.517 20 30 ECEDLO C=CCCO[C@@H](C)c1nc(CC(=O)NCC[NH+]2CCOCC2)no1 ZINC000277705840 201302733 /nfs/dbraw/zinc/30/27/33/201302733.db2.gz AZXHFLZPOGNIHN-ZDUSSCGKSA-N 1 2 338.408 0.714 20 30 ECEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000276485398 201294727 /nfs/dbraw/zinc/29/47/27/201294727.db2.gz TXGUELGAAWLMEO-MRXNPFEDSA-N 1 2 335.429 0.825 20 30 ECEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000276485398 201294729 /nfs/dbraw/zinc/29/47/29/201294729.db2.gz TXGUELGAAWLMEO-MRXNPFEDSA-N 1 2 335.429 0.825 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(CO)c(F)c2)CC1 ZINC000279431025 201317968 /nfs/dbraw/zinc/31/79/68/201317968.db2.gz MIHZVSNVVJALIV-UHFFFAOYSA-N 1 2 347.390 0.215 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(CO)c(F)c2)CC1 ZINC000279431025 201317970 /nfs/dbraw/zinc/31/79/70/201317970.db2.gz MIHZVSNVVJALIV-UHFFFAOYSA-N 1 2 347.390 0.215 20 30 ECEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247178799 243385274 /nfs/dbraw/zinc/38/52/74/243385274.db2.gz RPHPQTCJXWJRQK-SMDDNHRTSA-N 1 2 336.417 0.509 20 30 ECEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000247178799 243385283 /nfs/dbraw/zinc/38/52/83/243385283.db2.gz RPHPQTCJXWJRQK-SMDDNHRTSA-N 1 2 336.417 0.509 20 30 ECEDLO COCC[N@H+](C)CCNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000155486382 206009828 /nfs/dbraw/zinc/00/98/28/206009828.db2.gz CIOXCPRBKGSMGJ-UHFFFAOYSA-N 1 2 333.360 0.693 20 30 ECEDLO COCC[N@@H+](C)CCNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000155486382 206009832 /nfs/dbraw/zinc/00/98/32/206009832.db2.gz CIOXCPRBKGSMGJ-UHFFFAOYSA-N 1 2 333.360 0.693 20 30 ECEDLO COCCO[C@@H]1C[C@H](CO)C[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000447404790 211189023 /nfs/dbraw/zinc/18/90/23/211189023.db2.gz UVTZPJAPPPXFCF-USXIJHARSA-N 1 2 347.415 0.430 20 30 ECEDLO COCCO[C@@H]1C[C@H](CO)C[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000447404790 211189026 /nfs/dbraw/zinc/18/90/26/211189026.db2.gz UVTZPJAPPPXFCF-USXIJHARSA-N 1 2 347.415 0.430 20 30 ECEDLO CS(=O)(=O)C[C@H]1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000429386607 210315952 /nfs/dbraw/zinc/31/59/52/210315952.db2.gz WZCARHCGGREIJK-HNNXBMFYSA-N 1 2 335.429 0.541 20 30 ECEDLO CS(=O)(=O)C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000429386607 210315955 /nfs/dbraw/zinc/31/59/55/210315955.db2.gz WZCARHCGGREIJK-HNNXBMFYSA-N 1 2 335.429 0.541 20 30 ECEDLO COC(=O)c1ccc(N2CC[N@H+](CC(=O)NCC#N)[C@@H](C)C2)cc1 ZINC000066497461 254484852 /nfs/dbraw/zinc/48/48/52/254484852.db2.gz NJSHCLJUYXIPQX-ZDUSSCGKSA-N 1 2 330.388 0.623 20 30 ECEDLO COC(=O)c1ccc(N2CC[N@@H+](CC(=O)NCC#N)[C@@H](C)C2)cc1 ZINC000066497461 254484853 /nfs/dbraw/zinc/48/48/53/254484853.db2.gz NJSHCLJUYXIPQX-ZDUSSCGKSA-N 1 2 330.388 0.623 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000282394334 254553848 /nfs/dbraw/zinc/55/38/48/254553848.db2.gz YDFBCWITXRVGLW-STQMWFEESA-N 1 2 340.453 0.187 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3cc(C)nc4ncnn43)CC2)C1=O ZINC000328695867 254590301 /nfs/dbraw/zinc/59/03/01/254590301.db2.gz DCTXSJSYJJTJNY-CQSZACIVSA-N 1 2 341.419 0.342 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCCC2(O)CCOCC2)CC1 ZINC000329358736 254605692 /nfs/dbraw/zinc/60/56/92/254605692.db2.gz XGQDNJYVTDVHGM-UHFFFAOYSA-N 1 2 342.440 0.763 20 30 ECEDLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)C1 ZINC000330380678 254634432 /nfs/dbraw/zinc/63/44/32/254634432.db2.gz VCZLKRBJCZVKCG-KBPBESRZSA-N 1 2 332.470 0.269 20 30 ECEDLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)C1 ZINC000330380678 254634433 /nfs/dbraw/zinc/63/44/33/254634433.db2.gz VCZLKRBJCZVKCG-KBPBESRZSA-N 1 2 332.470 0.269 20 30 ECEDLO COCC1(C#N)CC[NH+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1 ZINC000341987725 254680872 /nfs/dbraw/zinc/68/08/72/254680872.db2.gz HURJLNNSWWNMOT-CYBMUJFWSA-N 1 2 336.436 0.364 20 30 ECEDLO C=CCOCC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000343753573 254688518 /nfs/dbraw/zinc/68/85/18/254688518.db2.gz IHMUKWQFRBTGJL-MRXNPFEDSA-N 1 2 334.416 0.773 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(C(=O)NCC)cc2)CC1 ZINC000490780021 254885972 /nfs/dbraw/zinc/88/59/72/254885972.db2.gz DBZTVZUPGQUXBY-UHFFFAOYSA-N 1 2 329.400 0.593 20 30 ECEDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)C(=O)NCc1ccco1 ZINC000115598543 220879691 /nfs/dbraw/zinc/87/96/91/220879691.db2.gz JRRVTLLWYCFFGU-XHDPSFHLSA-N 1 2 326.356 0.972 20 30 ECEDLO C[C@@H](CNC(=O)C(=O)N1CCc2ccc(C#N)cc21)[NH+]1CCOCC1 ZINC000270178654 263225561 /nfs/dbraw/zinc/22/55/61/263225561.db2.gz LKGUTKKJTNWVLN-ZDUSSCGKSA-N 1 2 342.399 0.284 20 30 ECEDLO CCN1CCN(S(=O)(=O)c2cncc(C#N)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000352190066 270006648 /nfs/dbraw/zinc/00/66/48/270006648.db2.gz OOSZFOMADPSTBI-CQSZACIVSA-N 1 2 346.416 0.744 20 30 ECEDLO N#Cc1nncn1CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000363029809 270007214 /nfs/dbraw/zinc/00/72/14/270007214.db2.gz STMUALOJHLNGIN-OAHLLOKOSA-N 1 2 340.387 0.167 20 30 ECEDLO N#Cc1nncn1CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000363029809 270007215 /nfs/dbraw/zinc/00/72/15/270007215.db2.gz STMUALOJHLNGIN-OAHLLOKOSA-N 1 2 340.387 0.167 20 30 ECEDLO CN(C)c1cc(C#N)cc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000295049934 265040746 /nfs/dbraw/zinc/04/07/46/265040746.db2.gz SORBJAIHBHEWJL-KRWDZBQOSA-N 1 2 346.431 0.389 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1nc2cc(Cl)ccn2c1C#N ZINC000287877817 266555951 /nfs/dbraw/zinc/55/59/51/266555951.db2.gz NUIIDAUAAKFXQP-ZDUSSCGKSA-N 1 2 349.822 0.989 20 30 ECEDLO C[C@H](C(=O)N1CCN(c2ncccc2C#N)CC1)[NH+]1CCOCC1 ZINC000332569204 267128487 /nfs/dbraw/zinc/12/84/87/267128487.db2.gz YJQOAEFREDDYAK-CQSZACIVSA-N 1 2 329.404 0.323 20 30 ECEDLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 ZINC000359986359 267191611 /nfs/dbraw/zinc/19/16/11/267191611.db2.gz JYMFWZGHUQCNHF-LBPRGKRZSA-N 1 2 341.408 0.526 20 30 ECEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000343552080 267202849 /nfs/dbraw/zinc/20/28/49/267202849.db2.gz ULBPYFYOUFZJKB-ZDUSSCGKSA-N 1 2 344.415 0.734 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cccc(C#N)c1 ZINC000529755690 267330473 /nfs/dbraw/zinc/33/04/73/267330473.db2.gz UMKQUZZPAMKZTB-SFHVURJKSA-N 1 2 329.400 0.904 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cccc(C#N)c1 ZINC000529755690 267330476 /nfs/dbraw/zinc/33/04/76/267330476.db2.gz UMKQUZZPAMKZTB-SFHVURJKSA-N 1 2 329.400 0.904 20 30 ECEDLO Cn1ncc(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)c1C#N ZINC000356285563 267841957 /nfs/dbraw/zinc/84/19/57/267841957.db2.gz RSXHZJHHUNMWKQ-UHFFFAOYSA-N 1 2 325.372 0.955 20 30 ECEDLO N#Cc1cc(N2CC[NH+](CC(N)=O)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301338608 268000026 /nfs/dbraw/zinc/00/00/26/268000026.db2.gz HNHISJLPHXKBQY-UHFFFAOYSA-N 1 2 340.343 0.622 20 30 ECEDLO N#Cc1ccc(CCC(=O)N2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000353486258 268059707 /nfs/dbraw/zinc/05/97/07/268059707.db2.gz AMUDKOVQIKTWKK-UHFFFAOYSA-N 1 2 338.415 0.927 20 30 ECEDLO N#Cc1ccc(CS(=O)(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000377345157 268080290 /nfs/dbraw/zinc/08/02/90/268080290.db2.gz XEZFEYHODOYUDO-INIZCTEOSA-N 1 2 335.429 0.841 20 30 ECEDLO N#Cc1ccc(CS(=O)(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000377345157 268080293 /nfs/dbraw/zinc/08/02/93/268080293.db2.gz XEZFEYHODOYUDO-INIZCTEOSA-N 1 2 335.429 0.841 20 30 ECEDLO N#Cc1ccc(CS(=O)(=O)NC[C@H]2C[NH+]3CCN2CC3)c(F)c1 ZINC000360026124 268081051 /nfs/dbraw/zinc/08/10/51/268081051.db2.gz XKXFUXZPPSPZNZ-AWEZNQCLSA-N 1 2 338.408 0.117 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000529752960 268124747 /nfs/dbraw/zinc/12/47/47/268124747.db2.gz QDNIOCOQFMQJJN-KRWDZBQOSA-N 1 2 332.404 0.242 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000529752960 268124749 /nfs/dbraw/zinc/12/47/49/268124749.db2.gz QDNIOCOQFMQJJN-KRWDZBQOSA-N 1 2 332.404 0.242 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(c3nnc[nH]3)CC2)nc1 ZINC000367369725 268188031 /nfs/dbraw/zinc/18/80/31/268188031.db2.gz HCHNGLRHBPOVBK-UHFFFAOYSA-N 1 2 346.416 0.725 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)nc1 ZINC000367321279 268188872 /nfs/dbraw/zinc/18/88/72/268188872.db2.gz FNHRHOAOTLXQTR-MZBDJJRSSA-N 1 2 335.429 0.820 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)nc1 ZINC000367321279 268188874 /nfs/dbraw/zinc/18/88/74/268188874.db2.gz FNHRHOAOTLXQTR-MZBDJJRSSA-N 1 2 335.429 0.820 20 30 ECEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1 ZINC000364801231 268250106 /nfs/dbraw/zinc/25/01/06/268250106.db2.gz YEWYVQSUAVXCIU-QGZVFWFLSA-N 1 2 328.372 0.749 20 30 ECEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1 ZINC000364801231 268250107 /nfs/dbraw/zinc/25/01/07/268250107.db2.gz YEWYVQSUAVXCIU-QGZVFWFLSA-N 1 2 328.372 0.749 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@]3(CNC(=O)C3)C2)c1 ZINC000369376386 268275584 /nfs/dbraw/zinc/27/55/84/268275584.db2.gz VAPPAWJIGZZNBP-MRXNPFEDSA-N 1 2 333.413 0.544 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c1 ZINC000369376386 268275588 /nfs/dbraw/zinc/27/55/88/268275588.db2.gz VAPPAWJIGZZNBP-MRXNPFEDSA-N 1 2 333.413 0.544 20 30 ECEDLO C[C@H](C(=O)NCC(=O)NCC#N)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000343505802 437595739 /nfs/dbraw/zinc/59/57/39/437595739.db2.gz AMTGEWYEJOYUGT-CYBMUJFWSA-N 1 2 347.394 0.092 20 30 ECEDLO C#C[C@@H]1COCCN1S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000491640157 277704544 /nfs/dbraw/zinc/70/45/44/277704544.db2.gz XQLHIULYPFVDMK-OAHLLOKOSA-N 1 2 331.397 0.954 20 30 ECEDLO C=C[C@H](CO)NC(=O)[C@@H]1CCC(=O)N(CCC)[C@@H]1c1c[nH+]cn1C ZINC000356857804 277911857 /nfs/dbraw/zinc/91/18/57/277911857.db2.gz HEKFJBSGHCPCAP-IOASZLSFSA-N 1 2 334.420 0.773 20 30 ECEDLO C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(C[C@@H](O)C[N@H+](C)CCC#N)C2=O ZINC000331711656 278004691 /nfs/dbraw/zinc/00/46/91/278004691.db2.gz YRYVZLKUDOAFNG-LOUJCGABSA-N 1 2 336.436 0.939 20 30 ECEDLO C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(C[C@@H](O)C[N@@H+](C)CCC#N)C2=O ZINC000331711656 278004692 /nfs/dbraw/zinc/00/46/92/278004692.db2.gz YRYVZLKUDOAFNG-LOUJCGABSA-N 1 2 336.436 0.939 20 30 ECEDLO CC(C)[C@@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)[NH+]1CCOCC1 ZINC000330427301 279852094 /nfs/dbraw/zinc/85/20/94/279852094.db2.gz WZFWQYWDDIAAHK-ZIAGYGMSSA-N 1 2 332.470 0.412 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000408092135 280103954 /nfs/dbraw/zinc/10/39/54/280103954.db2.gz XONFUTPLUNPJSP-DZGCQCFKSA-N 1 2 344.481 0.397 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000408092135 280103956 /nfs/dbraw/zinc/10/39/56/280103956.db2.gz XONFUTPLUNPJSP-DZGCQCFKSA-N 1 2 344.481 0.397 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189688332 437608080 /nfs/dbraw/zinc/60/80/80/437608080.db2.gz ADAKFPSUFZVBDG-UHFFFAOYSA-N 1 2 332.408 0.421 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000024798487 436139678 /nfs/dbraw/zinc/13/96/78/436139678.db2.gz FDVWHKBLAJBCMX-ZDUSSCGKSA-N 1 2 335.408 0.501 20 30 ECEDLO C[C@](C#N)(NC(=O)CN1CC[NH+](CC(=O)N2CCCC2)CC1)C1CC1 ZINC000022844310 436121449 /nfs/dbraw/zinc/12/14/49/436121449.db2.gz FKIFRCQOYIRRKE-GOSISDBHSA-N 1 2 347.463 0.035 20 30 ECEDLO CN(C)C(=O)C[NH+]1CCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000032542862 436240117 /nfs/dbraw/zinc/24/01/17/436240117.db2.gz DHEFZOCHCKXYTL-UHFFFAOYSA-N 1 2 329.404 0.203 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCOC[C@@H]3C)CC2)o1 ZINC000029729417 436208441 /nfs/dbraw/zinc/20/84/41/436208441.db2.gz JHIMELJAAKNLOY-LBPRGKRZSA-N 1 2 333.392 0.224 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCOC[C@@H]3C)CC2)o1 ZINC000029729417 436208446 /nfs/dbraw/zinc/20/84/46/436208446.db2.gz JHIMELJAAKNLOY-LBPRGKRZSA-N 1 2 333.392 0.224 20 30 ECEDLO CCC[N@H+](CC(=O)N(CC)C[C@H](C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000076944699 436217827 /nfs/dbraw/zinc/21/78/27/436217827.db2.gz RBRFNWFFUHROKD-ZIAGYGMSSA-N 1 2 329.466 0.894 20 30 ECEDLO CCC[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000076944699 436217829 /nfs/dbraw/zinc/21/78/29/436217829.db2.gz RBRFNWFFUHROKD-ZIAGYGMSSA-N 1 2 329.466 0.894 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000076949915 436221497 /nfs/dbraw/zinc/22/14/97/436221497.db2.gz LKRDUWXLODYGCW-VNHYZAJKSA-N 1 2 344.481 0.443 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000076949915 436221502 /nfs/dbraw/zinc/22/15/02/436221502.db2.gz LKRDUWXLODYGCW-VNHYZAJKSA-N 1 2 344.481 0.443 20 30 ECEDLO C=CCc1ccc(OCC(=O)N2CC[NH+](CCO)CC2)c(OC)c1 ZINC000078361966 436267144 /nfs/dbraw/zinc/26/71/44/436267144.db2.gz NDDRRFXBKHSVQU-UHFFFAOYSA-N 1 2 334.416 0.939 20 30 ECEDLO C=CCNC(=O)CN1CC[N@H+](CC(=O)NCC=C)CC12CCCCC2 ZINC000081526883 436348384 /nfs/dbraw/zinc/34/83/84/436348384.db2.gz GBWBFOPOMJEELS-UHFFFAOYSA-N 1 2 348.491 0.911 20 30 ECEDLO C=CCNC(=O)CN1CC[N@@H+](CC(=O)NCC=C)CC12CCCCC2 ZINC000081526883 436348386 /nfs/dbraw/zinc/34/83/86/436348386.db2.gz GBWBFOPOMJEELS-UHFFFAOYSA-N 1 2 348.491 0.911 20 30 ECEDLO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000042533697 436305863 /nfs/dbraw/zinc/30/58/63/436305863.db2.gz AYILIKKXIBPEQY-CYBMUJFWSA-N 1 2 346.412 0.613 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(C)CC(=O)Nc2ccccc2)CC1 ZINC000081649152 436353154 /nfs/dbraw/zinc/35/31/54/436353154.db2.gz GBSPRQRDUFIOMM-UHFFFAOYSA-N 1 2 328.416 0.334 20 30 ECEDLO C[C@@H](NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000083559557 436373198 /nfs/dbraw/zinc/37/31/98/436373198.db2.gz KPLQXCWZRYGART-RHSMWYFYSA-N 1 2 346.431 0.954 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc(CC#N)cc1 ZINC000083543354 436373679 /nfs/dbraw/zinc/37/36/79/436373679.db2.gz DMBQREUXRKVFOX-MRXNPFEDSA-N 1 2 332.404 0.909 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(Cl)c(C(N)=O)c2)CC1 ZINC000085271466 436387910 /nfs/dbraw/zinc/38/79/10/436387910.db2.gz LJGLCSUWYMGRGV-UHFFFAOYSA-N 1 2 334.807 0.628 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000046515984 436396768 /nfs/dbraw/zinc/39/67/68/436396768.db2.gz SLYGSOUPQFVFPN-CQSZACIVSA-N 1 2 329.466 0.591 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000046515984 436396772 /nfs/dbraw/zinc/39/67/72/436396772.db2.gz SLYGSOUPQFVFPN-CQSZACIVSA-N 1 2 329.466 0.591 20 30 ECEDLO N#CCCCOc1cccc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)c1 ZINC000091866216 436461944 /nfs/dbraw/zinc/46/19/44/436461944.db2.gz MFMCYVSAHUTNOL-OAHLLOKOSA-N 1 2 342.399 0.512 20 30 ECEDLO N#CCCCOc1cccc(C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)c1 ZINC000091866216 436461947 /nfs/dbraw/zinc/46/19/47/436461947.db2.gz MFMCYVSAHUTNOL-OAHLLOKOSA-N 1 2 342.399 0.512 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccnc2Cl)CC1 ZINC000104007959 436555436 /nfs/dbraw/zinc/55/54/36/436555436.db2.gz AUXBFPMXGWWXIP-UHFFFAOYSA-N 1 2 334.807 0.632 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccnc2Cl)CC1 ZINC000104007959 436555441 /nfs/dbraw/zinc/55/54/41/436555441.db2.gz AUXBFPMXGWWXIP-UHFFFAOYSA-N 1 2 334.807 0.632 20 30 ECEDLO C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[NH+](CC)CC2)c1 ZINC000055216233 436570896 /nfs/dbraw/zinc/57/08/96/436570896.db2.gz JPSIYRWOPUAMKW-UHFFFAOYSA-N 1 2 337.445 0.929 20 30 ECEDLO CCN(CCC#N)C(=O)C[NH+]1CCC(N(CC)S(C)(=O)=O)CC1 ZINC000109010545 436622090 /nfs/dbraw/zinc/62/20/90/436622090.db2.gz QTDNSQJADSRYMK-UHFFFAOYSA-N 1 2 344.481 0.494 20 30 ECEDLO C=CC1CC[NH+](CC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000111693229 436631189 /nfs/dbraw/zinc/63/11/89/436631189.db2.gz BOAQPOQRWTVHEQ-HNNXBMFYSA-N 1 2 344.477 0.547 20 30 ECEDLO CC(C)CNC(=O)NC(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060481664 436633836 /nfs/dbraw/zinc/63/38/36/436633836.db2.gz PWUWZDRFFYHQPN-UHFFFAOYSA-N 1 2 344.419 0.557 20 30 ECEDLO CN(Cc1ccc(F)cc1)C(=O)CO[NH+]=C(N)CN1CCOCC1 ZINC000111181753 436629109 /nfs/dbraw/zinc/62/91/09/436629109.db2.gz XRPZMNDVELPNTB-UHFFFAOYSA-N 1 2 338.383 0.405 20 30 ECEDLO Cn1cc[nH+]c1CN1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115543203 436647511 /nfs/dbraw/zinc/64/75/11/436647511.db2.gz BCDUEJAUXFRNCQ-KRWDZBQOSA-N 1 2 338.415 0.636 20 30 ECEDLO N#Cc1cccc(CNC(=O)C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000550972833 302351648 /nfs/dbraw/zinc/35/16/48/302351648.db2.gz BVLNQZGUQCRFAQ-UHFFFAOYSA-N 1 2 325.372 0.968 20 30 ECEDLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2S(=O)(=O)N(C)CCC#N)C[C@H](C)O1 ZINC000067717872 436722056 /nfs/dbraw/zinc/72/20/56/436722056.db2.gz BFYOGHYMZYIMJR-ZNMIVQPWSA-N 1 2 344.481 0.650 20 30 ECEDLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2S(=O)(=O)N(C)CCC#N)C[C@H](C)O1 ZINC000067717872 436722057 /nfs/dbraw/zinc/72/20/57/436722057.db2.gz BFYOGHYMZYIMJR-ZNMIVQPWSA-N 1 2 344.481 0.650 20 30 ECEDLO C[C@@H](CNS(=O)(=O)c1ccccc1C#N)C[NH+]1CCN(C)CC1 ZINC000122253203 436732603 /nfs/dbraw/zinc/73/26/03/436732603.db2.gz AQLFYEDPWUVRDC-AWEZNQCLSA-N 1 2 336.461 0.720 20 30 ECEDLO C[C@@H](CC#N)NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000123014669 436739632 /nfs/dbraw/zinc/73/96/32/436739632.db2.gz UMZDSNBVCSOCJJ-AWEZNQCLSA-N 1 2 343.431 0.791 20 30 ECEDLO CCNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N(CC)C[C@H](C)C#N)C1 ZINC000245534133 436765121 /nfs/dbraw/zinc/76/51/21/436765121.db2.gz JKSNADXQMGIRGZ-OLZOCXBDSA-N 1 2 330.454 0.008 20 30 ECEDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)C1 ZINC000245534133 436765123 /nfs/dbraw/zinc/76/51/23/436765123.db2.gz JKSNADXQMGIRGZ-OLZOCXBDSA-N 1 2 330.454 0.008 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O)CC1 ZINC000126276747 436784737 /nfs/dbraw/zinc/78/47/37/436784737.db2.gz OTJNHEQRFZZGEL-XAPDGSRCSA-N 1 2 342.509 0.378 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O)CC1 ZINC000126276747 436784739 /nfs/dbraw/zinc/78/47/39/436784739.db2.gz OTJNHEQRFZZGEL-XAPDGSRCSA-N 1 2 342.509 0.378 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246996390 436788820 /nfs/dbraw/zinc/78/88/20/436788820.db2.gz GJDIEZNCMARIBV-CHWSQXEVSA-N 1 2 342.465 0.341 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000246996390 436788821 /nfs/dbraw/zinc/78/88/21/436788821.db2.gz GJDIEZNCMARIBV-CHWSQXEVSA-N 1 2 342.465 0.341 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cc(Cl)cc([N+](=O)[O-])c2=O)CC1 ZINC000158788592 436850375 /nfs/dbraw/zinc/85/03/75/436850375.db2.gz XANVBSRLDSQTJU-UHFFFAOYSA-N 1 2 338.751 0.187 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@]23CCOC3=O)CC1 ZINC000249562092 436823973 /nfs/dbraw/zinc/82/39/73/436823973.db2.gz LWKSBYAFXZMXLF-MAUKXSAKSA-N 1 2 348.447 0.460 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@]23CCOC3=O)CC1 ZINC000249562092 436823977 /nfs/dbraw/zinc/82/39/77/436823977.db2.gz LWKSBYAFXZMXLF-MAUKXSAKSA-N 1 2 348.447 0.460 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000295659456 436975891 /nfs/dbraw/zinc/97/58/91/436975891.db2.gz QOUUVGCQWGKJBD-NWDGAFQWSA-N 1 2 326.397 0.549 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000295659456 436975895 /nfs/dbraw/zinc/97/58/95/436975895.db2.gz QOUUVGCQWGKJBD-NWDGAFQWSA-N 1 2 326.397 0.549 20 30 ECEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000275497419 436976888 /nfs/dbraw/zinc/97/68/88/436976888.db2.gz GMQXKOWUUXJZGT-KBMXLJTQSA-N 1 2 334.372 0.296 20 30 ECEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000275497419 436976894 /nfs/dbraw/zinc/97/68/94/436976894.db2.gz GMQXKOWUUXJZGT-KBMXLJTQSA-N 1 2 334.372 0.296 20 30 ECEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1CCOc1ccc(C#N)cc1OC ZINC000275527613 436979087 /nfs/dbraw/zinc/97/90/87/436979087.db2.gz JYEZMFIZEHVIGB-CJNGLKHVSA-N 1 2 334.372 0.944 20 30 ECEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000275527613 436979091 /nfs/dbraw/zinc/97/90/91/436979091.db2.gz JYEZMFIZEHVIGB-CJNGLKHVSA-N 1 2 334.372 0.944 20 30 ECEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCc3nnn(C)n3)cn2)n1 ZINC000283557834 437030750 /nfs/dbraw/zinc/03/07/50/437030750.db2.gz OUAOZPYNJHKLJN-UHFFFAOYSA-N 1 2 327.352 0.245 20 30 ECEDLO C=CCN(CCc1ccco1)C(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000283892242 437033246 /nfs/dbraw/zinc/03/32/46/437033246.db2.gz JBIICOJHENUVQP-HNNXBMFYSA-N 1 2 349.431 0.674 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000171975933 436994845 /nfs/dbraw/zinc/99/48/45/436994845.db2.gz KPAPUDALYQRDSC-UHFFFAOYSA-N 1 2 338.411 0.384 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000171975933 436994848 /nfs/dbraw/zinc/99/48/48/436994848.db2.gz KPAPUDALYQRDSC-UHFFFAOYSA-N 1 2 338.411 0.384 20 30 ECEDLO CCn1cc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)ccc1=O ZINC000172118328 436999301 /nfs/dbraw/zinc/99/93/01/436999301.db2.gz ZTSHNYUPVOTKQO-UHFFFAOYSA-N 1 2 347.419 0.948 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCN(c3nccn4cnnc34)[C@H](C)C2)C1=O ZINC000281895678 437005330 /nfs/dbraw/zinc/00/53/30/437005330.db2.gz FFNYZOWDRPAKQW-ZIAGYGMSSA-N 1 2 341.419 0.422 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(c3nccn4cnnc34)[C@H](C)C2)C1=O ZINC000281895678 437005333 /nfs/dbraw/zinc/00/53/33/437005333.db2.gz FFNYZOWDRPAKQW-ZIAGYGMSSA-N 1 2 341.419 0.422 20 30 ECEDLO Cc1nc(N2CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC2)cc[nH+]1 ZINC000282391190 437012496 /nfs/dbraw/zinc/01/24/96/437012496.db2.gz XVQHVYRKFUPKHS-GFCCVEGCSA-N 1 2 338.437 0.386 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1COc2ccccc2O1 ZINC000298805765 437053704 /nfs/dbraw/zinc/05/37/04/437053704.db2.gz OEZOIWYCWXQDCV-QGZVFWFLSA-N 1 2 345.399 0.901 20 30 ECEDLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000264738042 437076176 /nfs/dbraw/zinc/07/61/76/437076176.db2.gz JNISKTQYWXNVQV-LBPRGKRZSA-N 1 2 326.397 0.221 20 30 ECEDLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000264738042 437076181 /nfs/dbraw/zinc/07/61/81/437076181.db2.gz JNISKTQYWXNVQV-LBPRGKRZSA-N 1 2 326.397 0.221 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000299510497 437082749 /nfs/dbraw/zinc/08/27/49/437082749.db2.gz IPZRMNGLVADSCP-UHFFFAOYSA-N 1 2 343.387 0.544 20 30 ECEDLO COC(=O)c1cccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000299545548 437087407 /nfs/dbraw/zinc/08/74/07/437087407.db2.gz RERNHPYHFLIOIY-UHFFFAOYSA-N 1 2 346.387 0.556 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnn(C(C)C)c2)CC1 ZINC000276406819 437101070 /nfs/dbraw/zinc/10/10/70/437101070.db2.gz UEWAPMMCDRBDNW-UHFFFAOYSA-N 1 2 331.420 0.361 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnn(C(C)C)c2)CC1 ZINC000276406819 437101075 /nfs/dbraw/zinc/10/10/75/437101075.db2.gz UEWAPMMCDRBDNW-UHFFFAOYSA-N 1 2 331.420 0.361 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1nccn2ccnc12 ZINC000265907536 437208814 /nfs/dbraw/zinc/20/88/14/437208814.db2.gz QCRODKWGZKCRCX-UHFFFAOYSA-N 1 2 328.376 0.417 20 30 ECEDLO C[C@@H](C(=O)N1CCN(c2cc(C#N)ccn2)CC1)[NH+]1CCOCC1 ZINC000332554539 437231984 /nfs/dbraw/zinc/23/19/84/437231984.db2.gz REFOQIZZLFCSCF-AWEZNQCLSA-N 1 2 329.404 0.323 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000178834577 437233647 /nfs/dbraw/zinc/23/36/47/437233647.db2.gz CFXZIYFGQZCYMC-LLVKDONJSA-N 1 2 334.351 0.473 20 30 ECEDLO Cc1nc2n(n1)C[C@@H](NC(=O)N1CCC(C#N)([NH+](C)C)CC1)CC2 ZINC000332608214 437236486 /nfs/dbraw/zinc/23/64/86/437236486.db2.gz FFGIKRYMASDIBT-ZDUSSCGKSA-N 1 2 331.424 0.531 20 30 ECEDLO Cc1nc2n(n1)C[C@H](NC(=O)N1CCC(C#N)([NH+](C)C)CC1)CC2 ZINC000332608211 437236858 /nfs/dbraw/zinc/23/68/58/437236858.db2.gz FFGIKRYMASDIBT-CYBMUJFWSA-N 1 2 331.424 0.531 20 30 ECEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000266782053 437241429 /nfs/dbraw/zinc/24/14/29/437241429.db2.gz TWEOGNSIHMXHMM-CYBMUJFWSA-N 1 2 344.415 0.734 20 30 ECEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)NC[C@@H]2CCOC2)cn1 ZINC000328626850 437241698 /nfs/dbraw/zinc/24/16/98/437241698.db2.gz FNHMQRBOSASFOH-QEJZJMRPSA-N 1 2 339.415 0.873 20 30 ECEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)NC[C@@H]2CCOC2)cn1 ZINC000328626850 437241701 /nfs/dbraw/zinc/24/17/01/437241701.db2.gz FNHMQRBOSASFOH-QEJZJMRPSA-N 1 2 339.415 0.873 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000332673517 437242695 /nfs/dbraw/zinc/24/26/95/437242695.db2.gz JCKLGWAUPBQIEE-SJKOYZFVSA-N 1 2 331.420 0.581 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000332673517 437242697 /nfs/dbraw/zinc/24/26/97/437242697.db2.gz JCKLGWAUPBQIEE-SJKOYZFVSA-N 1 2 331.420 0.581 20 30 ECEDLO N#Cc1cc(NC(=O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)ccc1Cl ZINC000178958451 437244783 /nfs/dbraw/zinc/24/47/83/437244783.db2.gz DUTLRPWINNTVDW-ZDUSSCGKSA-N 1 2 347.806 0.266 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1nc2cc(Cl)ccn2c1C#N ZINC000287877811 437246555 /nfs/dbraw/zinc/24/65/55/437246555.db2.gz NUIIDAUAAKFXQP-CYBMUJFWSA-N 1 2 349.822 0.989 20 30 ECEDLO C[N@@H+](CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@@H]1CCC[C@H]1O ZINC000328752796 437260022 /nfs/dbraw/zinc/26/00/22/437260022.db2.gz DATIEKJTJULHHD-QJPTWQEYSA-N 1 2 347.437 0.137 20 30 ECEDLO C[N@H+](CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@@H]1CCC[C@H]1O ZINC000328752796 437260023 /nfs/dbraw/zinc/26/00/23/437260023.db2.gz DATIEKJTJULHHD-QJPTWQEYSA-N 1 2 347.437 0.137 20 30 ECEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000266881686 437260192 /nfs/dbraw/zinc/26/01/92/437260192.db2.gz XTVFLNXGOIFRSJ-ZDUSSCGKSA-N 1 2 343.431 0.767 20 30 ECEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCCN2CCCS2(=O)=O)C1 ZINC000328770418 437261563 /nfs/dbraw/zinc/26/15/63/437261563.db2.gz ADJJDJBZRWNYPA-LBPRGKRZSA-N 1 2 341.437 0.159 20 30 ECEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1CC(=O)NCC(=O)N1CCCC1 ZINC000329059462 437311308 /nfs/dbraw/zinc/31/13/08/437311308.db2.gz JCOKBDBUVUDNOZ-CABCVRRESA-N 1 2 338.452 0.360 20 30 ECEDLO C[C@@H](CNC(=O)C(C)(C)S(=O)(=O)C1CC1)N1CC[NH+](C)CC1 ZINC000328832254 437271577 /nfs/dbraw/zinc/27/15/77/437271577.db2.gz VKOJFYONKKSCQJ-LBPRGKRZSA-N 1 2 331.482 0.935 20 30 ECEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)CNc2ccc(C#N)cn2)CCN1C ZINC000333531333 437274617 /nfs/dbraw/zinc/27/46/17/437274617.db2.gz YBLGVLGQGIHXOX-CQSZACIVSA-N 1 2 339.403 0.614 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCC3(N4CCOCC4)CC3)C[C@H]21 ZINC000328895143 437280785 /nfs/dbraw/zinc/28/07/85/437280785.db2.gz VCCKXJNDAVXOQH-HUUCEWRRSA-N 1 2 338.452 0.170 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCC3(N4CCOCC4)CC3)C[C@H]21 ZINC000328895143 437280790 /nfs/dbraw/zinc/28/07/90/437280790.db2.gz VCCKXJNDAVXOQH-HUUCEWRRSA-N 1 2 338.452 0.170 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCc3nnc4n3CCCCC4)C[C@@H]21 ZINC000328900814 437281130 /nfs/dbraw/zinc/28/11/30/437281130.db2.gz YHSSJEAILWBRLA-UONOGXRCSA-N 1 2 348.451 0.823 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCc3nnc4n3CCCCC4)C[C@@H]21 ZINC000328900814 437281134 /nfs/dbraw/zinc/28/11/34/437281134.db2.gz YHSSJEAILWBRLA-UONOGXRCSA-N 1 2 348.451 0.823 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000328969261 437294727 /nfs/dbraw/zinc/29/47/27/437294727.db2.gz UKMLDMNIIGHGOK-UKRRQHHQSA-N 1 2 329.466 0.481 20 30 ECEDLO COCCO[C@@H]1C[C@H](CO)C[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000278253984 437296472 /nfs/dbraw/zinc/29/64/72/437296472.db2.gz HQDFOADFHPFZHN-DOTOQJQBSA-N 1 2 347.415 0.843 20 30 ECEDLO COCCO[C@@H]1C[C@H](CO)C[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000278253984 437296477 /nfs/dbraw/zinc/29/64/77/437296477.db2.gz HQDFOADFHPFZHN-DOTOQJQBSA-N 1 2 347.415 0.843 20 30 ECEDLO CNC(=O)[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CCO1 ZINC000329248107 437341137 /nfs/dbraw/zinc/34/11/37/437341137.db2.gz AEXDPXDUYFBKPK-KBPBESRZSA-N 1 2 325.409 0.444 20 30 ECEDLO CNC(=O)[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CCO1 ZINC000329248107 437341140 /nfs/dbraw/zinc/34/11/40/437341140.db2.gz AEXDPXDUYFBKPK-KBPBESRZSA-N 1 2 325.409 0.444 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NC[C@@H]2Cc3ccccc3O2)C1=O ZINC000337221266 437341510 /nfs/dbraw/zinc/34/15/10/437341510.db2.gz LAYYLPFQUSGRND-JKSUJKDBSA-N 1 2 343.427 0.825 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NC[C@@H]2Cc3ccccc3O2)C1=O ZINC000337221266 437341514 /nfs/dbraw/zinc/34/15/14/437341514.db2.gz LAYYLPFQUSGRND-JKSUJKDBSA-N 1 2 343.427 0.825 20 30 ECEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000329285957 437345634 /nfs/dbraw/zinc/34/56/34/437345634.db2.gz PBOXHSRNPFYTEN-QLFBSQMISA-N 1 2 326.441 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438168485 /nfs/dbraw/zinc/16/84/85/438168485.db2.gz NMGAIMFYCJVQMP-MRXNPFEDSA-N 1 2 325.409 0.658 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cnn(CC(F)F)c2)CC1 ZINC000350438906 438212416 /nfs/dbraw/zinc/21/24/16/438212416.db2.gz LOUOGQYUQMFZOQ-UHFFFAOYSA-N 1 2 327.379 0.568 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2cnn(CC(F)F)c2)CC1 ZINC000350438906 438212417 /nfs/dbraw/zinc/21/24/17/438212417.db2.gz LOUOGQYUQMFZOQ-UHFFFAOYSA-N 1 2 327.379 0.568 20 30 ECEDLO C#CCCCS(=O)(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000376287251 438277694 /nfs/dbraw/zinc/27/76/94/438277694.db2.gz DGVQNHBEYWPAOB-UHFFFAOYSA-N 1 2 343.493 0.606 20 30 ECEDLO C#CCCCS(=O)(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000376287251 438277699 /nfs/dbraw/zinc/27/76/99/438277699.db2.gz DGVQNHBEYWPAOB-UHFFFAOYSA-N 1 2 343.493 0.606 20 30 ECEDLO Cn1cc[nH+]c1[C@@H]1CN(S(=O)(=O)CCC(C)(C)C#N)CCN1C ZINC000377858296 438329428 /nfs/dbraw/zinc/32/94/28/438329428.db2.gz XSKHBDFFFPWNJT-ZDUSSCGKSA-N 1 2 339.465 0.978 20 30 ECEDLO 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ECEDLO N#CCOc1ccc(CC(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1 ZINC000369171316 438431429 /nfs/dbraw/zinc/43/14/29/438431429.db2.gz HROMQDQFTLJUPP-UHFFFAOYSA-N 1 2 330.388 0.151 20 30 ECEDLO CN(C)C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000401981392 438462801 /nfs/dbraw/zinc/46/28/01/438462801.db2.gz RIUFBEVPBQKXCY-OAHLLOKOSA-N 1 2 332.404 0.597 20 30 ECEDLO N#CC1(CS(=O)(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CCCC1 ZINC000352861344 438486533 /nfs/dbraw/zinc/48/65/33/438486533.db2.gz HEXPGSXJLRCMLB-CQSZACIVSA-N 1 2 327.450 0.853 20 30 ECEDLO N#CC1(CS(=O)(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CCCC1 ZINC000352861344 438486538 /nfs/dbraw/zinc/48/65/38/438486538.db2.gz HEXPGSXJLRCMLB-CQSZACIVSA-N 1 2 327.450 0.853 20 30 ECEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000359854941 438509306 /nfs/dbraw/zinc/50/93/06/438509306.db2.gz WQTCJLHTCRBDSE-UHFFFAOYSA-N 1 2 344.415 0.604 20 30 ECEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000359854941 438509310 /nfs/dbraw/zinc/50/93/10/438509310.db2.gz WQTCJLHTCRBDSE-UHFFFAOYSA-N 1 2 344.415 0.604 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H]2CCC[C@@H](OC)C2)CC1 ZINC000369797422 438515951 /nfs/dbraw/zinc/51/59/51/438515951.db2.gz VGTWPWOXGOREMI-DLBZAZTESA-N 1 2 349.475 0.865 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2CCC[C@@H](OC)C2)CC1 ZINC000369797422 438515953 /nfs/dbraw/zinc/51/59/53/438515953.db2.gz VGTWPWOXGOREMI-DLBZAZTESA-N 1 2 349.475 0.865 20 30 ECEDLO CC(=O)N[C@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000422093881 438516765 /nfs/dbraw/zinc/51/67/65/438516765.db2.gz ZFRFTJAYUYFBLX-DZGCQCFKSA-N 1 2 326.356 0.401 20 30 ECEDLO CC(=O)N[C@H]1CC[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000422093881 438516767 /nfs/dbraw/zinc/51/67/67/438516767.db2.gz ZFRFTJAYUYFBLX-DZGCQCFKSA-N 1 2 326.356 0.401 20 30 ECEDLO CN(CCC#N)S(=O)(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000408236833 438541274 /nfs/dbraw/zinc/54/12/74/438541274.db2.gz KLMNXIASNAVLNQ-AWEZNQCLSA-N 1 2 330.454 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/nfs/dbraw/zinc/68/74/24/438687424.db2.gz QSZLXDWLNZOZDU-UHFFFAOYSA-N 1 2 345.447 0.987 20 30 ECEDLO CCOC(=O)C1(O)CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000495052741 438717319 /nfs/dbraw/zinc/71/73/19/438717319.db2.gz YVXZTRSNPZMCAV-UHFFFAOYSA-N 1 2 331.372 0.887 20 30 ECEDLO N#Cc1ccncc1N1CC[NH+](Cc2cc(=O)n3nccc3[nH]2)CC1 ZINC000574953163 438729342 /nfs/dbraw/zinc/72/93/42/438729342.db2.gz SDEMLEYCUCETSU-UHFFFAOYSA-N 1 2 335.371 0.611 20 30 ECEDLO C=CCC[C@H](CO)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000454826811 438730248 /nfs/dbraw/zinc/73/02/48/438730248.db2.gz KWXPSKZYQDRKIK-CQSZACIVSA-N 1 2 337.424 0.664 20 30 ECEDLO N#CCNC(=O)C[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000507259862 438806753 /nfs/dbraw/zinc/80/67/53/438806753.db2.gz BXNDIRFUTGVCIB-NSHDSACASA-N 1 2 325.166 0.205 20 30 ECEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1S(=O)(=O)CC1(C#N)CCC1 ZINC000554907096 438770571 /nfs/dbraw/zinc/77/05/71/438770571.db2.gz BAZMEQAHPWAJCJ-ZIAGYGMSSA-N 1 2 327.450 0.805 20 30 ECEDLO N#Cc1ccncc1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000576565706 438788337 /nfs/dbraw/zinc/78/83/37/438788337.db2.gz DBCTUYFCVFEEBV-HNNXBMFYSA-N 1 2 330.388 0.517 20 30 ECEDLO CCNc1nc(NC(C)(C)C)nc(NC2CCN(CC#N)CC2)[nH+]1 ZINC000587972873 438810515 /nfs/dbraw/zinc/81/05/15/438810515.db2.gz IXCUXNZSGLMZPV-UHFFFAOYSA-N 1 2 332.456 0.757 20 30 ECEDLO CCNc1nc(NC2CCN(CC#N)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000587972873 438810526 /nfs/dbraw/zinc/81/05/26/438810526.db2.gz IXCUXNZSGLMZPV-UHFFFAOYSA-N 1 2 332.456 0.757 20 30 ECEDLO CCNc1nc(NC2CCN(CC#N)CC2)[nH+]c(NC(C)(C)C)n1 ZINC000587972873 438810530 /nfs/dbraw/zinc/81/05/30/438810530.db2.gz IXCUXNZSGLMZPV-UHFFFAOYSA-N 1 2 332.456 0.757 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000559273251 438834450 /nfs/dbraw/zinc/83/44/50/438834450.db2.gz LFSXZPWXVJCBNT-UHFFFAOYSA-N 1 2 339.403 0.021 20 30 ECEDLO N#CCCN1CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000601262763 438838098 /nfs/dbraw/zinc/83/80/98/438838098.db2.gz YCKPEJKNEZQQKA-HNNXBMFYSA-N 1 2 330.436 0.721 20 30 ECEDLO COC1(CO)CC[NH+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000588969169 438849973 /nfs/dbraw/zinc/84/99/73/438849973.db2.gz ZMETZFOECLMFAO-UHFFFAOYSA-N 1 2 339.417 0.200 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC3COCCOC3)CC2)cc1 ZINC000589940265 438895796 /nfs/dbraw/zinc/89/57/96/438895796.db2.gz IIEFAFCZEUEWCA-UHFFFAOYSA-N 1 2 344.415 0.801 20 30 ECEDLO N#CCCN1CCN(C(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000601445598 438897642 /nfs/dbraw/zinc/89/76/42/438897642.db2.gz ZCCXLOKPYYXKBM-UHFFFAOYSA-N 1 2 344.419 0.104 20 30 ECEDLO Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000563220604 438859352 /nfs/dbraw/zinc/85/93/52/438859352.db2.gz RZGTTXXLTKBCFU-MRXNPFEDSA-N 1 2 330.392 0.554 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000563634370 438866734 /nfs/dbraw/zinc/86/67/34/438866734.db2.gz FKQRLUMUBONKRV-VXGBXAGGSA-N 1 2 343.453 0.548 20 30 ECEDLO N#CCc1ccc(CS(=O)(=O)N2CC(C[NH+]3CCOCC3)C2)cc1 ZINC000601418531 438885085 /nfs/dbraw/zinc/88/50/85/438885085.db2.gz VBBZWFBBYVBBCP-UHFFFAOYSA-N 1 2 349.456 0.846 20 30 ECEDLO COc1cc(CNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)ccc1C#N ZINC000601416814 438885113 /nfs/dbraw/zinc/88/51/13/438885113.db2.gz ZSOTWAHYORUNQN-AWEZNQCLSA-N 1 2 339.417 0.317 20 30 ECEDLO COc1cc(CNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC000601416814 438885119 /nfs/dbraw/zinc/88/51/19/438885119.db2.gz ZSOTWAHYORUNQN-AWEZNQCLSA-N 1 2 339.417 0.317 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000601424527 438888584 /nfs/dbraw/zinc/88/85/84/438888584.db2.gz LTKICOIKDSVFPE-KGLIPLIRSA-N 1 2 330.454 0.262 20 30 ECEDLO N#Cc1cnnc(Nc2ccc(N3CCN(C(=O)C4CC4)CC3)[nH+]c2)c1 ZINC000596103964 438924360 /nfs/dbraw/zinc/92/43/60/438924360.db2.gz HVDISKRIFHNIQP-UHFFFAOYSA-N 1 2 349.398 1.545 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000565785612 438977599 /nfs/dbraw/zinc/97/75/99/438977599.db2.gz AGPITDQFTNGEGR-VXGBXAGGSA-N 1 2 343.453 0.406 20 30 ECEDLO N#Cc1cc(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)ncn1 ZINC000579072076 438979708 /nfs/dbraw/zinc/97/97/08/438979708.db2.gz CRNHNXUJZRIEOX-UHFFFAOYSA-N 1 2 337.387 0.894 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCCc2ccc(C#N)cc2)CC1 ZINC000596670321 438987642 /nfs/dbraw/zinc/98/76/42/438987642.db2.gz CLGOONHHTYPNMU-UHFFFAOYSA-N 1 2 343.431 0.692 20 30 ECEDLO N#CCCN(C(=O)C[N@@H+]1C[C@H](O)[C@H](CO)C1)c1cccc(Cl)c1 ZINC000459708665 438991046 /nfs/dbraw/zinc/99/10/46/438991046.db2.gz RNJHFMXCTMKJLY-WFASDCNBSA-N 1 2 337.807 0.872 20 30 ECEDLO N#CCCN(C(=O)C[N@H+]1C[C@H](O)[C@H](CO)C1)c1cccc(Cl)c1 ZINC000459708665 438991051 /nfs/dbraw/zinc/99/10/51/438991051.db2.gz RNJHFMXCTMKJLY-WFASDCNBSA-N 1 2 337.807 0.872 20 30 ECEDLO C=CCCSCCNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000597176924 439053640 /nfs/dbraw/zinc/05/36/40/439053640.db2.gz KDHFKJJHYGRYTP-UHFFFAOYSA-N 1 2 343.493 0.639 20 30 ECEDLO COC(=O)CN(CC#N)C(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000602103966 439012943 /nfs/dbraw/zinc/01/29/43/439012943.db2.gz RQBYAIJELAIKOX-OAHLLOKOSA-N 1 2 331.372 0.795 20 30 ECEDLO COC(=O)CN(CC#N)C(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000602103966 439012948 /nfs/dbraw/zinc/01/29/48/439012948.db2.gz RQBYAIJELAIKOX-OAHLLOKOSA-N 1 2 331.372 0.795 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1cccc(C#N)n1 ZINC000566204252 439022536 /nfs/dbraw/zinc/02/25/36/439022536.db2.gz OOFBUIQXHSAZSI-GFCCVEGCSA-N 1 2 331.376 0.071 20 30 ECEDLO COCC[NH+]1CCN(C(=O)C(=O)NCC2(C#N)CCCCC2)CC1 ZINC000597396634 439092765 /nfs/dbraw/zinc/09/27/65/439092765.db2.gz OTXCYCUCMMEGNA-UHFFFAOYSA-N 1 2 336.436 0.367 20 30 ECEDLO COc1ccc2ncc(C#N)c(N3CC[NH+](CC(N)=O)CC3)c2c1 ZINC000591893968 439105091 /nfs/dbraw/zinc/10/50/91/439105091.db2.gz KCNFNNWIPXNILL-UHFFFAOYSA-N 1 2 325.372 0.722 20 30 ECEDLO C=CCn1cc(CNc2nc(NCCO)c3ccccc3[nH+]2)nn1 ZINC000566616355 439076041 /nfs/dbraw/zinc/07/60/41/439076041.db2.gz GJKMWSCHEBZHMJ-UHFFFAOYSA-N 1 2 325.376 0.267 20 30 ECEDLO COC(=O)[C@H](CC(C)C)NC(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602855347 439145301 /nfs/dbraw/zinc/14/53/01/439145301.db2.gz GWAKXXHREVJSLC-KKUMJFAQSA-N 1 2 338.452 0.608 20 30 ECEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000602864776 439147028 /nfs/dbraw/zinc/14/70/28/439147028.db2.gz JIWBDMNILHIKJN-UHFFFAOYSA-N 1 2 342.403 0.882 20 30 ECEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC000602864776 439147033 /nfs/dbraw/zinc/14/70/33/439147033.db2.gz JIWBDMNILHIKJN-UHFFFAOYSA-N 1 2 342.403 0.882 20 30 ECEDLO CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)Cc1ccncc1C#N ZINC000592099475 439156460 /nfs/dbraw/zinc/15/64/60/439156460.db2.gz AASCONQQYBUFMA-OAHLLOKOSA-N 1 2 331.420 0.935 20 30 ECEDLO CCCNC(=O)C[C@H](C(N)=O)[N@@H+](CCC)Cc1ccncc1C#N ZINC000592099475 439156468 /nfs/dbraw/zinc/15/64/68/439156468.db2.gz AASCONQQYBUFMA-OAHLLOKOSA-N 1 2 331.420 0.935 20 30 ECEDLO CN(CCCNC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592148593 439166199 /nfs/dbraw/zinc/16/61/99/439166199.db2.gz XHDSENMLXNWSSA-GOSISDBHSA-N 1 2 330.432 0.980 20 30 ECEDLO CN(CCCNC(=O)C[N@H+]1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592148593 439166202 /nfs/dbraw/zinc/16/62/02/439166202.db2.gz XHDSENMLXNWSSA-GOSISDBHSA-N 1 2 330.432 0.980 20 30 ECEDLO N#CCC1CN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000598033368 439219844 /nfs/dbraw/zinc/21/98/44/439219844.db2.gz WUHPKIADYGRFCO-UHFFFAOYSA-N 1 2 341.415 0.882 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000581162572 439178257 /nfs/dbraw/zinc/17/82/57/439178257.db2.gz ZMJJBEBWUIFXAN-UHFFFAOYSA-N 1 2 345.384 0.117 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000592207620 439183427 /nfs/dbraw/zinc/18/34/27/439183427.db2.gz KSIFIPNBFPWPNJ-MRVWCRGKSA-N 1 2 331.372 0.741 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000592207620 439183430 /nfs/dbraw/zinc/18/34/30/439183430.db2.gz KSIFIPNBFPWPNJ-MRVWCRGKSA-N 1 2 331.372 0.741 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2ccc(C(=O)OC)cc2)nn1 ZINC000603163696 439199612 /nfs/dbraw/zinc/19/96/12/439199612.db2.gz FPTCVMUHOCVBQL-UHFFFAOYSA-N 1 2 341.371 0.816 20 30 ECEDLO CC(C)CN1C[C@H]2C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CCN2C1=O ZINC000488733819 439199725 /nfs/dbraw/zinc/19/97/25/439199725.db2.gz MNLHVGKDOLUALX-LSDHHAIUSA-N 1 2 335.452 0.825 20 30 ECEDLO CC(C)CN1C[C@H]2C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CCN2C1=O ZINC000488733819 439199729 /nfs/dbraw/zinc/19/97/29/439199729.db2.gz MNLHVGKDOLUALX-LSDHHAIUSA-N 1 2 335.452 0.825 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)n1cc(CC[NH+]2CCOCC2)nn1 ZINC000603173877 439200870 /nfs/dbraw/zinc/20/08/70/439200870.db2.gz DDHKKUCUFIYTDE-PBHICJAKSA-N 1 2 348.451 0.768 20 30 ECEDLO C[C@@](C#N)(NC(=O)Cn1cc(C[NH+]2CCSCC2)nn1)C1CC1 ZINC000603177451 439203433 /nfs/dbraw/zinc/20/34/33/439203433.db2.gz ASNRRCHQTUMGKG-HNNXBMFYSA-N 1 2 334.449 0.635 20 30 ECEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000597993218 439208748 /nfs/dbraw/zinc/20/87/48/439208748.db2.gz DOVYDCZOZPZQSQ-KGLIPLIRSA-N 1 2 344.415 0.513 20 30 ECEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000597993218 439208756 /nfs/dbraw/zinc/20/87/56/439208756.db2.gz DOVYDCZOZPZQSQ-KGLIPLIRSA-N 1 2 344.415 0.513 20 30 ECEDLO C#CC[NH+]1CCN(CN2C(=O)N[C@@](C)(c3ccccc3F)C2=O)CC1 ZINC000490589292 439275766 /nfs/dbraw/zinc/27/57/66/439275766.db2.gz CKSTWWAMIKCKHR-SFHVURJKSA-N 1 2 344.390 0.801 20 30 ECEDLO CSc1[nH]c(=O)c(C(=O)NCC[N@@H+]2CCCOCC2)cc1C#N ZINC000527369549 439268524 /nfs/dbraw/zinc/26/85/24/439268524.db2.gz JMWXCXLZMKKTJR-UHFFFAOYSA-N 1 2 336.417 0.833 20 30 ECEDLO CSc1[nH]c(=O)c(C(=O)NCC[N@H+]2CCCOCC2)cc1C#N ZINC000527369549 439268529 /nfs/dbraw/zinc/26/85/29/439268529.db2.gz JMWXCXLZMKKTJR-UHFFFAOYSA-N 1 2 336.417 0.833 20 30 ECEDLO COC[C@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000528388835 439333918 /nfs/dbraw/zinc/33/39/18/439333918.db2.gz KMOVZFFQLZUVKZ-CQSZACIVSA-N 1 2 328.368 0.633 20 30 ECEDLO COC[C@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000528388835 439333922 /nfs/dbraw/zinc/33/39/22/439333922.db2.gz KMOVZFFQLZUVKZ-CQSZACIVSA-N 1 2 328.368 0.633 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(NC(C)=O)ccc2OC)CC1 ZINC000490761883 439295256 /nfs/dbraw/zinc/29/52/56/439295256.db2.gz XQPGMVHPOQVOOI-UHFFFAOYSA-N 1 2 344.415 0.843 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CON=CC(=O)Nc2ccccc2)CC1 ZINC000490763923 439296125 /nfs/dbraw/zinc/29/61/25/439296125.db2.gz YLZSMSLZBSDZEB-UHFFFAOYSA-N 1 2 328.372 0.405 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CON=C(C)Cn2nc(C)cc2C)CC1 ZINC000490778341 439298204 /nfs/dbraw/zinc/29/82/04/439298204.db2.gz DSSRRBZJWZKGKS-UHFFFAOYSA-N 1 2 331.420 0.670 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(C)S(=O)(=O)Cc2ccccc2)CC1 ZINC000490778180 439298521 /nfs/dbraw/zinc/29/85/21/439298521.db2.gz BFBNRVGLRRECSD-UHFFFAOYSA-N 1 2 349.456 0.226 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+](CCC2CCCCC2)CC(N)=O)CC1 ZINC000490780667 439298663 /nfs/dbraw/zinc/29/86/63/439298663.db2.gz OCHJWQBKRITZCB-UHFFFAOYSA-N 1 2 348.491 0.522 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+](CCC2CCCCC2)CC(N)=O)CC1 ZINC000490780667 439298668 /nfs/dbraw/zinc/29/86/68/439298668.db2.gz OCHJWQBKRITZCB-UHFFFAOYSA-N 1 2 348.491 0.522 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+](C)Cc2ccc(OC)c(O)c2)CC1 ZINC000490780828 439299056 /nfs/dbraw/zinc/29/90/56/439299056.db2.gz RYCKFDULDCCBBD-UHFFFAOYSA-N 1 2 331.416 0.610 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+](C)Cc2ccc(OC)c(O)c2)CC1 ZINC000490780828 439299061 /nfs/dbraw/zinc/29/90/61/439299061.db2.gz RYCKFDULDCCBBD-UHFFFAOYSA-N 1 2 331.416 0.610 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCN(C(=O)c3cnn(C)c3)[C@@H](C)C2)C1=O ZINC000582222782 439303991 /nfs/dbraw/zinc/30/39/91/439303991.db2.gz WTFZRVHNEXASSP-ZFWWWQNUSA-N 1 2 331.420 0.353 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCN(C(=O)c3cnn(C)c3)[C@@H](C)C2)C1=O ZINC000582222782 439303994 /nfs/dbraw/zinc/30/39/94/439303994.db2.gz WTFZRVHNEXASSP-ZFWWWQNUSA-N 1 2 331.420 0.353 20 30 ECEDLO CS(=O)(=O)[C@@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528493323 439341425 /nfs/dbraw/zinc/34/14/25/439341425.db2.gz XJMWISRUYRATJO-CYBMUJFWSA-N 1 2 346.408 0.405 20 30 ECEDLO CS(=O)(=O)[C@@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528493323 439341427 /nfs/dbraw/zinc/34/14/27/439341427.db2.gz XJMWISRUYRATJO-CYBMUJFWSA-N 1 2 346.408 0.405 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@@H](C)c2ccc(C(=O)OC)o2)CC1 ZINC000491210740 439349549 /nfs/dbraw/zinc/34/95/49/439349549.db2.gz YCXAKKITNFOMRJ-ZDUSSCGKSA-N 1 2 333.388 0.494 20 30 ECEDLO COCCOCC[NH+]1CCN(C(=O)Nc2cccc(C#N)n2)CC1 ZINC000593224963 439354292 /nfs/dbraw/zinc/35/42/92/439354292.db2.gz QAOLOOUQCLNDKA-UHFFFAOYSA-N 1 2 333.392 0.766 20 30 ECEDLO C#CC[N@@H+](CCC(=O)Nc1ccc(C)cn1)[C@H]1CCS(=O)(=O)C1 ZINC000491373236 439373192 /nfs/dbraw/zinc/37/31/92/439373192.db2.gz MFNYQOFKXILUJJ-AWEZNQCLSA-N 1 2 335.429 0.841 20 30 ECEDLO C#CC[N@H+](CCC(=O)Nc1ccc(C)cn1)[C@H]1CCS(=O)(=O)C1 ZINC000491373236 439373198 /nfs/dbraw/zinc/37/31/98/439373198.db2.gz MFNYQOFKXILUJJ-AWEZNQCLSA-N 1 2 335.429 0.841 20 30 ECEDLO C#CC[N@@H+](CCC(=O)Nc1ccc(C)cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000491373237 439374112 /nfs/dbraw/zinc/37/41/12/439374112.db2.gz MFNYQOFKXILUJJ-CQSZACIVSA-N 1 2 335.429 0.841 20 30 ECEDLO C#CC[N@H+](CCC(=O)Nc1ccc(C)cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000491373237 439374118 /nfs/dbraw/zinc/37/41/18/439374118.db2.gz MFNYQOFKXILUJJ-CQSZACIVSA-N 1 2 335.429 0.841 20 30 ECEDLO C#C[C@H]1COCCN1C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000491507010 439397451 /nfs/dbraw/zinc/39/74/51/439397451.db2.gz SKIJUIQIVLCUDF-ZDUSSCGKSA-N 1 2 326.356 0.681 20 30 ECEDLO C#CCN1C(=O)C[C@@H]([NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)C1=O ZINC000491463850 439389184 /nfs/dbraw/zinc/38/91/84/439389184.db2.gz PHCHFOBGEAZWRH-BXUZGUMPSA-N 1 2 332.322 0.772 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(-c3nnc(N)o3)cc2)CC1 ZINC000491622644 439413409 /nfs/dbraw/zinc/41/34/09/439413409.db2.gz FKZSLCHCJLMGFS-UHFFFAOYSA-N 1 2 341.371 0.475 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000491637631 439416534 /nfs/dbraw/zinc/41/65/34/439416534.db2.gz WELGFFLLQRSXMB-UHFFFAOYSA-N 1 2 341.371 0.333 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc3c(c2)OCCC3=O)CC1 ZINC000491639037 439417722 /nfs/dbraw/zinc/41/77/22/439417722.db2.gz XTJUFYCSCPJWSY-UHFFFAOYSA-N 1 2 328.368 0.808 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cnc3cc(F)c(F)cc3c2=O)CC1 ZINC000491658367 439422137 /nfs/dbraw/zinc/42/21/37/439422137.db2.gz WBSLLKFANYYRRP-UHFFFAOYSA-N 1 2 346.337 0.452 20 30 ECEDLO C#CCn1ccc(CN(CCOC)C(=O)NCCn2cc[nH+]c2)n1 ZINC000491713269 439432548 /nfs/dbraw/zinc/43/25/48/439432548.db2.gz ZSUAPICOFOWAMI-UHFFFAOYSA-N 1 2 330.392 0.571 20 30 ECEDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C#N)c(O)c2)C1 ZINC000570780065 439448449 /nfs/dbraw/zinc/44/84/49/439448449.db2.gz DZKQSYPZZWIPKR-GFCCVEGCSA-N 1 2 331.372 0.879 20 30 ECEDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(C#N)c(O)c2)C1 ZINC000570780065 439448453 /nfs/dbraw/zinc/44/84/53/439448453.db2.gz DZKQSYPZZWIPKR-GFCCVEGCSA-N 1 2 331.372 0.879 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(C)CC(=O)NCc2ccccc2)CC1 ZINC000491803620 439453679 /nfs/dbraw/zinc/45/36/79/439453679.db2.gz JETHPAFYSQHNDL-UHFFFAOYSA-N 1 2 342.443 0.012 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C1=O ZINC000531957519 439513306 /nfs/dbraw/zinc/51/33/06/439513306.db2.gz RTOQFAQNADLDID-OWCLPIDISA-N 1 2 335.448 0.875 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C1=O ZINC000531957519 439513312 /nfs/dbraw/zinc/51/33/12/439513312.db2.gz RTOQFAQNADLDID-OWCLPIDISA-N 1 2 335.448 0.875 20 30 ECEDLO CS(=O)(=O)N1CC[NH+](CCNc2ccc(Cl)c(C#N)n2)CC1 ZINC000609560579 439576379 /nfs/dbraw/zinc/57/63/79/439576379.db2.gz PRPJNQQSVMVJLU-UHFFFAOYSA-N 1 2 343.840 0.596 20 30 ECEDLO N#Cc1ccc(OC[C@@H](O)C[NH2+]Cc2nc(C(N)=O)cs2)cc1 ZINC000594733059 439599254 /nfs/dbraw/zinc/59/92/54/439599254.db2.gz QEHSSCAZBCDTIT-NSHDSACASA-N 1 2 332.385 0.643 20 30 ECEDLO COc1nccc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)n1 ZINC000572737187 439606748 /nfs/dbraw/zinc/60/67/48/439606748.db2.gz SRVQKXPCQZOMBR-UHFFFAOYSA-N 1 2 341.371 0.399 20 30 ECEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000585731132 439646455 /nfs/dbraw/zinc/64/64/55/439646455.db2.gz NXNMHBITWRVTGK-LLVKDONJSA-N 1 2 329.335 0.715 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)c1ccc(C#N)cc1F ZINC000573547782 439651294 /nfs/dbraw/zinc/65/12/94/439651294.db2.gz KUQALUGZEJEGLO-VXGBXAGGSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)c1ccc(C#N)cc1F ZINC000573547782 439651298 /nfs/dbraw/zinc/65/12/98/439651298.db2.gz KUQALUGZEJEGLO-VXGBXAGGSA-N 1 2 341.408 0.773 20 30 ECEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000600421907 439655572 /nfs/dbraw/zinc/65/55/72/439655572.db2.gz QCLMIZKVSYXLGL-OAHLLOKOSA-N 1 2 333.436 0.793 20 30 ECEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000600421907 439655580 /nfs/dbraw/zinc/65/55/80/439655580.db2.gz QCLMIZKVSYXLGL-OAHLLOKOSA-N 1 2 333.436 0.793 20 30 ECEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000600422630 439655946 /nfs/dbraw/zinc/65/59/46/439655946.db2.gz WJYZQFPISUPRBQ-OAHLLOKOSA-N 1 2 340.387 0.387 20 30 ECEDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000600422630 439655952 /nfs/dbraw/zinc/65/59/52/439655952.db2.gz WJYZQFPISUPRBQ-OAHLLOKOSA-N 1 2 340.387 0.387 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)[C@H](C)CO1 ZINC000595127134 439658320 /nfs/dbraw/zinc/65/83/20/439658320.db2.gz ZRXQRLYLHQBXTO-VXGBXAGGSA-N 1 2 348.378 0.861 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)[C@H](C)CO1 ZINC000595127134 439658324 /nfs/dbraw/zinc/65/83/24/439658324.db2.gz ZRXQRLYLHQBXTO-VXGBXAGGSA-N 1 2 348.378 0.861 20 30 ECEDLO N#Cc1ccc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000595156272 439663676 /nfs/dbraw/zinc/66/36/76/439663676.db2.gz UGXBKFQXUNCTML-OAHLLOKOSA-N 1 2 328.372 0.430 20 30 ECEDLO COCC[NH+]1CCN(C(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)CC1 ZINC000587675387 439668315 /nfs/dbraw/zinc/66/83/15/439668315.db2.gz YACWWQDPKISVQZ-CQSZACIVSA-N 1 2 344.415 0.526 20 30 ECEDLO Cc1onc(CC(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)c1C#N ZINC000611527356 439702875 /nfs/dbraw/zinc/70/28/75/439702875.db2.gz HKRCFVCLAATEMJ-NSHDSACASA-N 1 2 345.403 0.209 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000611540551 439705685 /nfs/dbraw/zinc/70/56/85/439705685.db2.gz AVFTUSZRLCLXNQ-CVEARBPZSA-N 1 2 335.429 0.778 20 30 ECEDLO CS(=O)(=O)NCC[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551186 439705956 /nfs/dbraw/zinc/70/59/56/439705956.db2.gz ODHITRMMEBGFBI-OAHLLOKOSA-N 1 2 340.424 0.557 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)cn1 ZINC000600686616 439689927 /nfs/dbraw/zinc/68/99/27/439689927.db2.gz ZNWJLONANFONPY-QGZVFWFLSA-N 1 2 337.383 0.979 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)cn1 ZINC000600686616 439689931 /nfs/dbraw/zinc/68/99/31/439689931.db2.gz ZNWJLONANFONPY-QGZVFWFLSA-N 1 2 337.383 0.979 20 30 ECEDLO N#Cc1ccc(CNS(=O)(=O)CCC[NH+]2CCOCC2)c(F)c1 ZINC000613264575 439754077 /nfs/dbraw/zinc/75/40/77/439754077.db2.gz UWVDYGGNLFYHSR-UHFFFAOYSA-N 1 2 341.408 0.839 20 30 ECEDLO C=CCCn1cc(CN2CC[NH+](CC(=O)N3CCCCC3)CC2)nn1 ZINC000653474950 440190762 /nfs/dbraw/zinc/19/07/62/440190762.db2.gz IUCWWIGAVGCLJF-UHFFFAOYSA-N 1 2 346.479 0.984 20 30 ECEDLO C=CC[C@@H](CO)CNC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000637529758 440295166 /nfs/dbraw/zinc/29/51/66/440295166.db2.gz DUKDFUVYXAYFRQ-SJORKVTESA-N 1 2 348.447 0.766 20 30 ECEDLO C=CC[C@@H](CO)CNC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000637529758 440295173 /nfs/dbraw/zinc/29/51/73/440295173.db2.gz DUKDFUVYXAYFRQ-SJORKVTESA-N 1 2 348.447 0.766 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2cnc(CCOC)s2)CC1 ZINC000637880737 440354468 /nfs/dbraw/zinc/35/44/68/440354468.db2.gz WCIYXIBQZHXPBG-UHFFFAOYSA-N 1 2 338.477 0.752 20 30 ECEDLO C=CCNC(=O)c1ccc(NC(=O)[C@H](C)N2CC[NH2+]CC2=O)cc1 ZINC000637939600 440373927 /nfs/dbraw/zinc/37/39/27/440373927.db2.gz MOPPYEVJTFFHHH-LBPRGKRZSA-N 1 2 330.388 0.361 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+]([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000659811162 440504599 /nfs/dbraw/zinc/50/45/99/440504599.db2.gz QQYBMTLJENWALH-OWCLPIDISA-N 1 2 334.464 0.354 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2ccc3c(c2)OCCO3)nn1 ZINC000640784306 440991316 /nfs/dbraw/zinc/99/13/16/440991316.db2.gz RQDBGTXIEDLXFY-UHFFFAOYSA-N 1 2 341.371 0.801 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)NCc2cc(F)cc(F)c2)nn1 ZINC000640974366 441035599 /nfs/dbraw/zinc/03/55/99/441035599.db2.gz JTIIRTFOKBYDQJ-UHFFFAOYSA-N 1 2 333.342 0.986 20 30 ECEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000550230009 322166372 /nfs/dbraw/zinc/16/63/72/322166372.db2.gz XQVKXCVRWURTMF-CYBMUJFWSA-N 1 2 346.416 0.979 20 30 ECEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000550230009 322166374 /nfs/dbraw/zinc/16/63/74/322166374.db2.gz XQVKXCVRWURTMF-CYBMUJFWSA-N 1 2 346.416 0.979 20 30 ECEDLO COc1cc(C#N)ccc1NC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000562571356 322278292 /nfs/dbraw/zinc/27/82/92/322278292.db2.gz ASHYOTPOIUUJMG-UHFFFAOYSA-N 1 2 327.344 0.897 20 30 ECEDLO N#Cc1ccc(CN2CC[NH+](CC(=O)N3CCOCC3)CC2)cc1F ZINC000191875259 534781003 /nfs/dbraw/zinc/78/10/03/534781003.db2.gz ICBRTBRTXKARGU-UHFFFAOYSA-N 1 2 346.406 0.674 20 30 ECEDLO CCC(=O)N1CSC[C@H]1C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000328920125 546009798 /nfs/dbraw/zinc/00/97/98/546009798.db2.gz STIRVRXCUPPCEC-ZDUSSCGKSA-N 1 2 342.465 0.419 20 30 ECEDLO C[C@H](CNC(=O)CN1C(=O)NC(=O)C1(C)C)[NH+]1CCN(C)CC1 ZINC000329751924 546033984 /nfs/dbraw/zinc/03/39/84/546033984.db2.gz VXJPIBIHWKMZAM-LLVKDONJSA-N 1 2 325.413 0.750 20 30 ECEDLO C=CCN(C(=O)[C@H]1CCn2cc(C)[nH+]c2C1)[C@H]1CCS(=O)(=O)C1 ZINC000624489990 546928936 /nfs/dbraw/zinc/92/89/36/546928936.db2.gz KEPPSXUUMXAJBG-KBPBESRZSA-N 1 2 337.445 0.956 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1ccc(Cl)nc1 ZINC000748782782 579328811 /nfs/dbraw/zinc/32/88/11/579328811.db2.gz VOZPPEHQHCNIKT-UHFFFAOYSA-N 1 2 327.841 0.865 20 30 ECEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)NCCO)CC1 ZINC000751468760 579369292 /nfs/dbraw/zinc/36/92/92/579369292.db2.gz PAOSXORGYLZPLN-MRXNPFEDSA-N 1 2 345.399 0.593 20 30 ECEDLO C[C@@H]1C[N@H+](C)CC1=NNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000752165009 579381501 /nfs/dbraw/zinc/38/15/01/579381501.db2.gz NXWVWMMTPZNBQK-SNVBAGLBSA-N 1 2 326.378 0.952 20 30 ECEDLO C[C@@H]1C[N@@H+](C)CC1=NNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000752165009 579381502 /nfs/dbraw/zinc/38/15/02/579381502.db2.gz NXWVWMMTPZNBQK-SNVBAGLBSA-N 1 2 326.378 0.952 20 30 ECEDLO CC(C)(CNc1cccc(S(N)(=O)=O)c1C#N)[NH+]1CCOCC1 ZINC000754960151 579426707 /nfs/dbraw/zinc/42/67/07/579426707.db2.gz BNEKYPCYHRQDNN-UHFFFAOYSA-N 1 2 338.433 0.728 20 30 ECEDLO CC1(C)C[N@H+](CCNc2cccc(S(N)(=O)=O)c2C#N)CCO1 ZINC000754994120 579427430 /nfs/dbraw/zinc/42/74/30/579427430.db2.gz VPHWXPMIFKFAIS-UHFFFAOYSA-N 1 2 338.433 0.728 20 30 ECEDLO CC1(C)C[N@@H+](CCNc2cccc(S(N)(=O)=O)c2C#N)CCO1 ZINC000754994120 579427432 /nfs/dbraw/zinc/42/74/32/579427432.db2.gz VPHWXPMIFKFAIS-UHFFFAOYSA-N 1 2 338.433 0.728 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@@H](CO)Oc3ccccc32)CC1 ZINC000759748130 579496891 /nfs/dbraw/zinc/49/68/91/579496891.db2.gz UZCMWMKDSRGMMB-HNNXBMFYSA-N 1 2 329.400 0.024 20 30 ECEDLO N#CCCN(CCC#N)C(=O)COC(=O)CCc1ccc(N)[nH+]c1 ZINC000759815810 579498604 /nfs/dbraw/zinc/49/86/04/579498604.db2.gz TZMWVPJYLLOLRF-UHFFFAOYSA-N 1 2 329.360 0.796 20 30 ECEDLO Cc1ccc(O)c(C=NNC(=S)NCCC[NH+]2CCOCC2)n1 ZINC000728779959 578291141 /nfs/dbraw/zinc/29/11/41/578291141.db2.gz RUIOCRMFUGDAPH-UHFFFAOYSA-N 1 2 337.449 0.616 20 30 ECEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000729789381 578298666 /nfs/dbraw/zinc/29/86/66/578298666.db2.gz FRRNWMTZLKESFC-CYBMUJFWSA-N 1 2 346.387 0.364 20 30 ECEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000729789381 578298667 /nfs/dbraw/zinc/29/86/67/578298667.db2.gz FRRNWMTZLKESFC-CYBMUJFWSA-N 1 2 346.387 0.364 20 30 ECEDLO CCOCCC/N=C1/NC(=O)[C@@H](CC(=O)NCC[NH+](C)C)S1 ZINC000730270165 578304220 /nfs/dbraw/zinc/30/42/20/578304220.db2.gz AHFIOHWQPIYOBL-LLVKDONJSA-N 1 2 330.454 0.069 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)nc1 ZINC000731649059 578313618 /nfs/dbraw/zinc/31/36/18/578313618.db2.gz WDUCNOYRWDQNQC-UHFFFAOYSA-N 1 2 335.429 0.302 20 30 ECEDLO CN1CC[C@@H](ON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)C1=O ZINC000734834563 578370641 /nfs/dbraw/zinc/37/06/41/578370641.db2.gz WLFBDSWCWHKGIE-OAHLLOKOSA-N 1 2 332.404 0.386 20 30 ECEDLO N#C[C@H](C(=O)C[N@H+]1CCC[C@H]1CO)c1nc2ccccc2c(=O)[nH]1 ZINC000735672065 578392392 /nfs/dbraw/zinc/39/23/92/578392392.db2.gz CQPSPEYEIQQMTO-WCQYABFASA-N 1 2 326.356 0.968 20 30 ECEDLO N#C[C@H](C(=O)C[N@@H+]1CCC[C@H]1CO)c1nc2ccccc2c(=O)[nH]1 ZINC000735672065 578392393 /nfs/dbraw/zinc/39/23/93/578392393.db2.gz CQPSPEYEIQQMTO-WCQYABFASA-N 1 2 326.356 0.968 20 30 ECEDLO C=CCOC[C@H](NC(=O)c1ccnc(-n2cc[nH+]c2)c1)C(=O)OC ZINC000796458542 578625272 /nfs/dbraw/zinc/62/52/72/578625272.db2.gz KDRINKRFGBPOPU-ZDUSSCGKSA-N 1 2 330.344 0.741 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000780598106 578696815 /nfs/dbraw/zinc/69/68/15/578696815.db2.gz KKBZEDWKIGMBOZ-ZDUSSCGKSA-N 1 2 347.481 0.074 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000780598106 578696816 /nfs/dbraw/zinc/69/68/16/578696816.db2.gz KKBZEDWKIGMBOZ-ZDUSSCGKSA-N 1 2 347.481 0.074 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCc1cc(C#N)ccc1F ZINC000787757991 578815632 /nfs/dbraw/zinc/81/56/32/578815632.db2.gz MLMIGXWJMUGUPA-LBPRGKRZSA-N 1 2 348.378 0.150 20 30 ECEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)c1cn2ccccc2n1 ZINC000788416523 578837169 /nfs/dbraw/zinc/83/71/69/578837169.db2.gz XBJXJWQBIJRKHK-UHFFFAOYSA-N 1 2 346.460 0.855 20 30 ECEDLO COC(=O)CC[NH+]1CCC(=NNCC(C)(C)S(C)(=O)=O)CC1 ZINC000788723550 578843416 /nfs/dbraw/zinc/84/34/16/578843416.db2.gz UKWZRSWDJZWMQH-UHFFFAOYSA-N 1 2 333.454 0.414 20 30 ECEDLO Cn1c[nH+]cc1CCOC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC000793258231 578925089 /nfs/dbraw/zinc/92/50/89/578925089.db2.gz LEMBVTOCJKKSOA-UHFFFAOYSA-N 1 2 348.384 0.245 20 30 ECEDLO C[C@@H]1C[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C[C@H]1O ZINC000768767724 579131371 /nfs/dbraw/zinc/13/13/71/579131371.db2.gz FSDWDYSJOCYBJL-MPKXVKKWSA-N 1 2 326.356 0.824 20 30 ECEDLO C[C@@H]1C[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C[C@H]1O ZINC000768767724 579131373 /nfs/dbraw/zinc/13/13/73/579131373.db2.gz FSDWDYSJOCYBJL-MPKXVKKWSA-N 1 2 326.356 0.824 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)COC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000772048178 579199509 /nfs/dbraw/zinc/19/95/09/579199509.db2.gz LWZXTFUIRMBMBD-CHWSQXEVSA-N 1 2 327.450 0.975 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)COC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000772048178 579199510 /nfs/dbraw/zinc/19/95/10/579199510.db2.gz LWZXTFUIRMBMBD-CHWSQXEVSA-N 1 2 327.450 0.975 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)COC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000772048811 579199524 /nfs/dbraw/zinc/19/95/24/579199524.db2.gz LWZXTFUIRMBMBD-STQMWFEESA-N 1 2 327.450 0.975 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)COC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000772048811 579199525 /nfs/dbraw/zinc/19/95/25/579199525.db2.gz LWZXTFUIRMBMBD-STQMWFEESA-N 1 2 327.450 0.975 20 30 ECEDLO C#CCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000774529738 579249528 /nfs/dbraw/zinc/24/95/28/579249528.db2.gz UFIMBAZMPHSQGQ-UHFFFAOYSA-N 1 2 338.389 0.388 20 30 ECEDLO C#C[C@@H]([NH2+]CC(=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O)[C@H]1CCCO1 ZINC000775794378 579271493 /nfs/dbraw/zinc/27/14/93/579271493.db2.gz QHCUETINGMZXRU-DGCLKSJQSA-N 1 2 348.403 0.140 20 30 ECEDLO CC(C)[C@@H]1CC(=NNC(=S)NCC[NH+]2CCOCC2)CCO1 ZINC000776759574 579288923 /nfs/dbraw/zinc/28/89/23/579288923.db2.gz SNVQHVAALGMITQ-AWEZNQCLSA-N 1 2 328.482 0.974 20 30 ECEDLO COC(=O)CCC[NH+]1CCC(=NNC2CCS(=O)(=O)CC2)CC1 ZINC000776793584 579289483 /nfs/dbraw/zinc/28/94/83/579289483.db2.gz YYHXKQQURSCILF-UHFFFAOYSA-N 1 2 345.465 0.558 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2C#N)CC[N@@H+]1CCO ZINC000778127473 579306534 /nfs/dbraw/zinc/30/65/34/579306534.db2.gz IKMADKGBBIQQFR-LLVKDONJSA-N 1 2 327.381 0.384 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2C#N)CC[N@H+]1CCO ZINC000778127473 579306535 /nfs/dbraw/zinc/30/65/35/579306535.db2.gz IKMADKGBBIQQFR-LLVKDONJSA-N 1 2 327.381 0.384 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2c(C)onc2CC)CC1 ZINC000761031084 579519758 /nfs/dbraw/zinc/51/97/58/579519758.db2.gz NBOINDMDTLMIKR-UHFFFAOYSA-N 1 2 326.422 0.131 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC000761029975 579519774 /nfs/dbraw/zinc/51/97/74/579519774.db2.gz AXAOVGRJELSQME-ZDUSSCGKSA-N 1 2 325.409 0.972 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](C[C@@H]2CC2(Cl)Cl)CC1 ZINC000761030651 579519808 /nfs/dbraw/zinc/51/98/08/579519808.db2.gz ZQYGNYXTDOSMLJ-JTQLQIEISA-N 1 2 326.249 0.265 20 30 ECEDLO CC(C)(C)[N@H+](CCS(C)(=O)=O)CC(=O)N(CCC#N)CCC#N ZINC000762395446 579541286 /nfs/dbraw/zinc/54/12/86/579541286.db2.gz PUKFGJISUCERAR-UHFFFAOYSA-N 1 2 342.465 0.787 20 30 ECEDLO CC(C)(C)[N@@H+](CCS(C)(=O)=O)CC(=O)N(CCC#N)CCC#N ZINC000762395446 579541287 /nfs/dbraw/zinc/54/12/87/579541287.db2.gz PUKFGJISUCERAR-UHFFFAOYSA-N 1 2 342.465 0.787 20 30 ECEDLO COC(=O)[C@H](c1ccc(C#N)cc1)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000739904347 579721450 /nfs/dbraw/zinc/72/14/50/579721450.db2.gz SVCSKLQGHIWBGZ-KRWDZBQOSA-N 1 2 344.415 0.478 20 30 ECEDLO O=C(CCNC(=O)C1N=CC=CC1=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000746210241 579833095 /nfs/dbraw/zinc/83/30/95/579833095.db2.gz NHLWORUBACGCAT-MSUUIHNZSA-N 1 2 342.355 0.588 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000746283566 579835246 /nfs/dbraw/zinc/83/52/46/579835246.db2.gz OSIQNPVQRFZMMN-RYUDHWBXSA-N 1 2 331.338 0.754 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000746283566 579835248 /nfs/dbraw/zinc/83/52/48/579835248.db2.gz OSIQNPVQRFZMMN-RYUDHWBXSA-N 1 2 331.338 0.754 20 30 ECEDLO COc1ccc(CNC(=S)NCC[NH+]2CCOCC2)cc1C#N ZINC000746531473 579841254 /nfs/dbraw/zinc/84/12/54/579841254.db2.gz DFLALRYHDVAKSO-UHFFFAOYSA-N 1 2 334.445 0.863 20 30 ECEDLO CNC(=O)CNC(=S)N[NH+]=C(C)c1ccc(N2CCCC2)cc1O ZINC000748251703 579857460 /nfs/dbraw/zinc/85/74/60/579857460.db2.gz NIKHUQRGGCWQGT-UHFFFAOYSA-N 1 2 349.460 0.927 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)[C@H](C)C1 ZINC000867131517 588913441 /nfs/dbraw/zinc/91/34/41/588913441.db2.gz KQILSESAARRRQH-NEPJUHHUSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)[C@H](C)C1 ZINC000867131517 588913442 /nfs/dbraw/zinc/91/34/42/588913442.db2.gz KQILSESAARRRQH-NEPJUHHUSA-N 1 2 341.408 0.773 20 30 ECEDLO CC[C@H](C)[C@@H](NC(=O)C#CC1CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000837412402 588951084 /nfs/dbraw/zinc/95/10/84/588951084.db2.gz ZQFZPKBAEHSTQS-WMLDXEAASA-N 1 2 335.448 0.379 20 30 ECEDLO C#CC[C@H]1NC(=O)N(Cc2ccccc2C[NH+]2CCOCC2)C1=O ZINC000842235969 589023810 /nfs/dbraw/zinc/02/38/10/589023810.db2.gz OFXUYLVDFJDLMN-MRXNPFEDSA-N 1 2 327.384 0.963 20 30 ECEDLO C#CC[C@@H]1NC(=O)N(C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1=O ZINC000842236631 589024029 /nfs/dbraw/zinc/02/40/29/589024029.db2.gz UNTMOUJHLUOXGK-HOTGVXAUSA-N 1 2 327.384 0.831 20 30 ECEDLO C#CC[C@@H]1NC(=O)N(C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1=O ZINC000842236631 589024031 /nfs/dbraw/zinc/02/40/31/589024031.db2.gz UNTMOUJHLUOXGK-HOTGVXAUSA-N 1 2 327.384 0.831 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2c(OC)ccnc2OC)C1 ZINC000891604212 586181179 /nfs/dbraw/zinc/18/11/79/586181179.db2.gz WGQPQRNDSHNYGP-LBPRGKRZSA-N 1 2 346.387 0.251 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2c(OC)ccnc2OC)C1 ZINC000891604212 586181180 /nfs/dbraw/zinc/18/11/80/586181180.db2.gz WGQPQRNDSHNYGP-LBPRGKRZSA-N 1 2 346.387 0.251 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(COC)c2)C1 ZINC000891606346 586181609 /nfs/dbraw/zinc/18/16/09/586181609.db2.gz GBKUMKZQVZMDGM-MRXNPFEDSA-N 1 2 329.400 0.985 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(COC)c2)C1 ZINC000891606346 586181611 /nfs/dbraw/zinc/18/16/11/586181611.db2.gz GBKUMKZQVZMDGM-MRXNPFEDSA-N 1 2 329.400 0.985 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2N(C)C)C1 ZINC000891608756 586181813 /nfs/dbraw/zinc/18/18/13/586181813.db2.gz YMVKTEUTDXUYAP-CQSZACIVSA-N 1 2 328.416 0.905 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2N(C)C)C1 ZINC000891608756 586181815 /nfs/dbraw/zinc/18/18/15/586181815.db2.gz YMVKTEUTDXUYAP-CQSZACIVSA-N 1 2 328.416 0.905 20 30 ECEDLO C#C[C@@H](NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)c1ccc(F)cc1 ZINC000867293288 589030261 /nfs/dbraw/zinc/03/02/61/589030261.db2.gz IRSQFCFXBHRTCV-LSDHHAIUSA-N 1 2 326.393 0.750 20 30 ECEDLO C#C[C@@H](NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)c1ccc(F)cc1 ZINC000867293288 589030263 /nfs/dbraw/zinc/03/02/63/589030263.db2.gz IRSQFCFXBHRTCV-LSDHHAIUSA-N 1 2 326.393 0.750 20 30 ECEDLO C#CC1(O)CN(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)C1 ZINC000891834168 586200241 /nfs/dbraw/zinc/20/02/41/586200241.db2.gz OMRJZZWLCQMLRL-ZDUSSCGKSA-N 1 2 330.388 0.196 20 30 ECEDLO CN(Cc1cc(C#N)cs1)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000907570062 586737099 /nfs/dbraw/zinc/73/70/99/586737099.db2.gz USXIKVYIJIIXJP-LBPRGKRZSA-N 1 2 329.447 0.712 20 30 ECEDLO CN(Cc1cc(C#N)cs1)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000907570062 586737102 /nfs/dbraw/zinc/73/71/02/586737102.db2.gz USXIKVYIJIIXJP-LBPRGKRZSA-N 1 2 329.447 0.712 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000907584584 586740344 /nfs/dbraw/zinc/74/03/44/586740344.db2.gz WXUANJGZVLNIJM-CJNGLKHVSA-N 1 2 340.383 0.681 20 30 ECEDLO C#CCOCCC(=O)N1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000907583529 586740544 /nfs/dbraw/zinc/74/05/44/586740544.db2.gz PEINPBYFSLHTHZ-QGZVFWFLSA-N 1 2 340.383 0.682 20 30 ECEDLO C=CCn1c(C)nn(C[N@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c1=S ZINC000902603471 586746880 /nfs/dbraw/zinc/74/68/80/586746880.db2.gz HCMBNRKDINEERG-PWSUYJOCSA-N 1 2 345.494 0.722 20 30 ECEDLO C=CCn1c(C)nn(C[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c1=S ZINC000902603471 586746883 /nfs/dbraw/zinc/74/68/83/586746883.db2.gz HCMBNRKDINEERG-PWSUYJOCSA-N 1 2 345.494 0.722 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cc(-c3ccccc3OC)nn2)CC1 ZINC000902919712 586761485 /nfs/dbraw/zinc/76/14/85/586761485.db2.gz CAMYDCVMKAMBCZ-UHFFFAOYSA-N 1 2 339.399 0.731 20 30 ECEDLO CCS(=O)(=O)NC1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000903004318 586765313 /nfs/dbraw/zinc/76/53/13/586765313.db2.gz GZGYNPIREMRZSL-LBPRGKRZSA-N 1 2 330.454 0.151 20 30 ECEDLO COc1ccc(-n2cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nn2)cc1 ZINC000905497366 586898449 /nfs/dbraw/zinc/89/84/49/586898449.db2.gz YMKZRSVCNATUTI-MRXNPFEDSA-N 1 2 328.376 0.850 20 30 ECEDLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000805474850 586911268 /nfs/dbraw/zinc/91/12/68/586911268.db2.gz SZOCWQSXUAAVDH-QWHCGFSZSA-N 1 2 349.412 0.989 20 30 ECEDLO CC[N@H+]1CCO[C@@H](C(=O)O[C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000805474850 586911270 /nfs/dbraw/zinc/91/12/70/586911270.db2.gz SZOCWQSXUAAVDH-QWHCGFSZSA-N 1 2 349.412 0.989 20 30 ECEDLO C[C@@H](OC(=O)c1cccc(F)c1C#N)C(=O)NCC[NH+]1CCOCC1 ZINC000805967671 586948853 /nfs/dbraw/zinc/94/88/53/586948853.db2.gz MUEPOULUGNTMPC-GFCCVEGCSA-N 1 2 349.362 0.691 20 30 ECEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCN(c2ccc(C#N)nc2)CC1 ZINC000801283239 586988753 /nfs/dbraw/zinc/98/87/53/586988753.db2.gz AHMRWYVTIWLHDT-INIZCTEOSA-N 1 2 329.404 0.323 20 30 ECEDLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCN(c2ccc(C#N)nc2)CC1 ZINC000801283239 586988756 /nfs/dbraw/zinc/98/87/56/586988756.db2.gz AHMRWYVTIWLHDT-INIZCTEOSA-N 1 2 329.404 0.323 20 30 ECEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1CC2(CCOCC2)[C@@H](O)C1=O ZINC000839961991 587016181 /nfs/dbraw/zinc/01/61/81/587016181.db2.gz ZMOKUCWHVNBOON-INIZCTEOSA-N 1 2 329.400 0.947 20 30 ECEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1CC2(CCOCC2)[C@@H](O)C1=O ZINC000839961991 587016184 /nfs/dbraw/zinc/01/61/84/587016184.db2.gz ZMOKUCWHVNBOON-INIZCTEOSA-N 1 2 329.400 0.947 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)c1nc(-c2ccccc2)no1 ZINC000804123020 587079691 /nfs/dbraw/zinc/07/96/91/587079691.db2.gz MADDQIWHKQZESI-CABCVRRESA-N 1 2 340.383 0.984 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CO)c1nc(-c2ccccc2)no1 ZINC000804123020 587079693 /nfs/dbraw/zinc/07/96/93/587079693.db2.gz MADDQIWHKQZESI-CABCVRRESA-N 1 2 340.383 0.984 20 30 ECEDLO N#CC[C@@H](O)C[NH+]1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000809572896 587180305 /nfs/dbraw/zinc/18/03/05/587180305.db2.gz WCEBBEZDZFREKJ-MRXNPFEDSA-N 1 2 328.416 0.468 20 30 ECEDLO N#Cc1ccc(NCCNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)nc1 ZINC000811864234 587227863 /nfs/dbraw/zinc/22/78/63/587227863.db2.gz SGJPUQWSOVSJDP-GFCCVEGCSA-N 1 2 325.376 0.945 20 30 ECEDLO N#Cc1ccc(NCCNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)nc1 ZINC000811864234 587227864 /nfs/dbraw/zinc/22/78/64/587227864.db2.gz SGJPUQWSOVSJDP-GFCCVEGCSA-N 1 2 325.376 0.945 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2cc(-c3nn[nH]n3)ccc2C)CC1 ZINC000819701402 587486120 /nfs/dbraw/zinc/48/61/20/587486120.db2.gz FTUHVQRFMMMTBY-UHFFFAOYSA-N 1 2 340.387 0.331 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000822895857 587689320 /nfs/dbraw/zinc/68/93/20/587689320.db2.gz BSORGVGOYFQSPS-HNNXBMFYSA-N 1 2 344.415 0.275 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](CN(C)C(=O)[O-])C2)CC1 ZINC000823456913 587721406 /nfs/dbraw/zinc/72/14/06/587721406.db2.gz SACJIGXTQXMJIS-OAHLLOKOSA-N 1 2 336.436 0.086 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](CN(C)C(=O)[O-])C2)CC1 ZINC000823456913 587721407 /nfs/dbraw/zinc/72/14/07/587721407.db2.gz SACJIGXTQXMJIS-OAHLLOKOSA-N 1 2 336.436 0.086 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CC[C@@H](NC(=O)[O-])C(C)C)CC1 ZINC000823457450 587721905 /nfs/dbraw/zinc/72/19/05/587721905.db2.gz ZRCKAMLFAAVNFZ-OAHLLOKOSA-N 1 2 338.452 0.378 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@H+](C)CC[C@@H](NC(=O)[O-])C(C)C)CC1 ZINC000823457450 587721908 /nfs/dbraw/zinc/72/19/08/587721908.db2.gz ZRCKAMLFAAVNFZ-OAHLLOKOSA-N 1 2 338.452 0.378 20 30 ECEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000824184502 587859205 /nfs/dbraw/zinc/85/92/05/587859205.db2.gz HCIJRIDCSHIUTG-HNNXBMFYSA-N 1 2 326.408 0.927 20 30 ECEDLO COCC(COC)[NH+]1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000840486743 587869319 /nfs/dbraw/zinc/86/93/19/587869319.db2.gz JHGKYRDISAOSQB-QGZVFWFLSA-N 1 2 347.415 0.397 20 30 ECEDLO COc1cc(C#N)ccc1C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000827915765 588146610 /nfs/dbraw/zinc/14/66/10/588146610.db2.gz HJAGYQSRAHFOHC-HNNXBMFYSA-N 1 2 345.399 0.740 20 30 ECEDLO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000829982985 588351845 /nfs/dbraw/zinc/35/18/45/588351845.db2.gz JUWQITFUXOQTBK-QFYYESIMSA-N 1 2 329.360 0.946 20 30 ECEDLO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000829982985 588351847 /nfs/dbraw/zinc/35/18/47/588351847.db2.gz JUWQITFUXOQTBK-QFYYESIMSA-N 1 2 329.360 0.946 20 30 ECEDLO C#CC1CC[NH+]([C@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000830305308 588368049 /nfs/dbraw/zinc/36/80/49/588368049.db2.gz LABZFKGAYPOVPI-UKRRQHHQSA-N 1 2 326.462 0.756 20 30 ECEDLO COC(=O)C1(C#N)CC[NH+]([C@H](C)C(=O)NC(=O)NCC(C)C)CC1 ZINC000831686820 588441695 /nfs/dbraw/zinc/44/16/95/588441695.db2.gz ARVLYISYWBBFNO-GFCCVEGCSA-N 1 2 338.408 0.635 20 30 ECEDLO C#CCNC(=O)CN1CCN(Cc2cc(OC(C)C)cc[nH+]2)CC1 ZINC000844292712 589106404 /nfs/dbraw/zinc/10/64/04/589106404.db2.gz KLCSZBGOXPCSOY-UHFFFAOYSA-N 1 2 330.432 0.736 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844302601 589106857 /nfs/dbraw/zinc/10/68/57/589106857.db2.gz KSYNCBVRAPIXCT-TZMCWYRMSA-N 1 2 342.403 0.842 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844302601 589106859 /nfs/dbraw/zinc/10/68/59/589106859.db2.gz KSYNCBVRAPIXCT-TZMCWYRMSA-N 1 2 342.403 0.842 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C(C)=C/c2cccnc2)CC1 ZINC000847446225 589247298 /nfs/dbraw/zinc/24/72/98/589247298.db2.gz MMGJWQSOVWGYGS-DTQAZKPQSA-N 1 2 340.427 0.769 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C(C)=C/c2cccnc2)CC1 ZINC000847446225 589247299 /nfs/dbraw/zinc/24/72/99/589247299.db2.gz MMGJWQSOVWGYGS-DTQAZKPQSA-N 1 2 340.427 0.769 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc3c2CCN(C)C3=O)CC1 ZINC000849320534 589325604 /nfs/dbraw/zinc/32/56/04/589325604.db2.gz UJUANCJKKACUTI-UHFFFAOYSA-N 1 2 340.427 0.504 20 30 ECEDLO C#CCOCC[NH+]1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000851714899 589417818 /nfs/dbraw/zinc/41/78/18/589417818.db2.gz JPYCCBBRYHPULZ-UHFFFAOYSA-N 1 2 338.429 0.651 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC3=C(CCC(=O)N3)C2)nc1 ZINC000852296502 589489767 /nfs/dbraw/zinc/48/97/67/589489767.db2.gz UUXJARRMRUAAGS-UHFFFAOYSA-N 1 2 346.412 0.597 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC3=C(CCC(=O)N3)C2)nc1 ZINC000852296502 589489768 /nfs/dbraw/zinc/48/97/68/589489768.db2.gz UUXJARRMRUAAGS-UHFFFAOYSA-N 1 2 346.412 0.597 20 30 ECEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000852429036 589495635 /nfs/dbraw/zinc/49/56/35/589495635.db2.gz AEGWNFITGHGYCU-CQSZACIVSA-N 1 2 344.477 0.935 20 30 ECEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000852429036 589495637 /nfs/dbraw/zinc/49/56/37/589495637.db2.gz AEGWNFITGHGYCU-CQSZACIVSA-N 1 2 344.477 0.935 20 30 ECEDLO COCC(COC)[NH+]1CCN(C(=O)c2ccc(C#N)c(OC)c2)CC1 ZINC000854930574 589613317 /nfs/dbraw/zinc/61/33/17/589613317.db2.gz FLLDGCSAGFMIGB-UHFFFAOYSA-N 1 2 347.415 0.986 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000856327770 589660184 /nfs/dbraw/zinc/66/01/84/589660184.db2.gz DSBQMROPMWPVIL-GOSISDBHSA-N 1 2 329.444 0.959 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000856327770 589660186 /nfs/dbraw/zinc/66/01/86/589660186.db2.gz DSBQMROPMWPVIL-GOSISDBHSA-N 1 2 329.444 0.959 20 30 ECEDLO N#CCCCS(=O)(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000856532544 589666606 /nfs/dbraw/zinc/66/66/06/589666606.db2.gz OCDOVSKNBQKLLM-UONOGXRCSA-N 1 2 336.417 0.470 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2Cc3ccccc3N(C)C(=O)C2)CC1 ZINC000857886125 589715090 /nfs/dbraw/zinc/71/50/90/589715090.db2.gz UIHRSOMDSGXTCX-UHFFFAOYSA-N 1 2 340.427 0.242 20 30 ECEDLO CCN(CCC#N)C(=O)C[NH2+]C(c1ccnn1C)c1ccnn1C ZINC000860078534 589742116 /nfs/dbraw/zinc/74/21/16/589742116.db2.gz MFANORAHTKILCY-UHFFFAOYSA-N 1 2 329.408 0.595 20 30 ECEDLO N#Cc1cc(F)cc(S(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000867449047 589786810 /nfs/dbraw/zinc/78/68/10/589786810.db2.gz VSKSQHORFKATDG-CYBMUJFWSA-N 1 2 325.365 0.137 20 30 ECEDLO N#Cc1cc(F)cc(S(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000867449047 589786812 /nfs/dbraw/zinc/78/68/12/589786812.db2.gz VSKSQHORFKATDG-CYBMUJFWSA-N 1 2 325.365 0.137 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000859119914 589801512 /nfs/dbraw/zinc/80/15/12/589801512.db2.gz YAEZNQMJYHYLHZ-QGZVFWFLSA-N 1 2 346.475 0.287 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CCNC(=O)c2ccc(C)cc2O)CC1 ZINC000121765639 589828454 /nfs/dbraw/zinc/82/84/54/589828454.db2.gz CVEXJKMHIOVLJB-UHFFFAOYSA-N 1 2 329.400 0.598 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)n2nnnc2C)CC1 ZINC000118342048 589862990 /nfs/dbraw/zinc/86/29/90/589862990.db2.gz PFIXXIVKOKAXAL-QGZVFWFLSA-N 1 2 338.415 0.543 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000862198241 589931521 /nfs/dbraw/zinc/93/15/21/589931521.db2.gz XADDUMNIVOOUDP-ZDUSSCGKSA-N 1 2 327.344 0.360 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)N2CCCS(=O)(=O)C[C@@H]2C2CC2)CC1 ZINC000888515453 589940166 /nfs/dbraw/zinc/94/01/66/589940166.db2.gz NNCFWUIWRNEFMQ-MRXNPFEDSA-N 1 2 338.473 0.757 20 30 ECEDLO N#CCc1ccccc1CC(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870062696 589994047 /nfs/dbraw/zinc/99/40/47/589994047.db2.gz CUMIESBIENLHJO-SFHVURJKSA-N 1 2 343.427 0.855 20 30 ECEDLO N#CCc1cccc2c1CC[N@@H+]([C@H]1CC(=O)N(CCCO)C1=O)C2 ZINC000864350090 590076232 /nfs/dbraw/zinc/07/62/32/590076232.db2.gz CVKNMNHEGVFPDU-INIZCTEOSA-N 1 2 327.384 0.621 20 30 ECEDLO N#CCc1cccc2c1CC[N@H+]([C@H]1CC(=O)N(CCCO)C1=O)C2 ZINC000864350090 590076233 /nfs/dbraw/zinc/07/62/33/590076233.db2.gz CVKNMNHEGVFPDU-INIZCTEOSA-N 1 2 327.384 0.621 20 30 ECEDLO COc1nscc1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000872329661 590114688 /nfs/dbraw/zinc/11/46/88/590114688.db2.gz VEDWKWIOIWEQLY-UHFFFAOYSA-N 1 2 329.451 0.282 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ncc3n2CCCC3)CC1 ZINC000865177892 590129854 /nfs/dbraw/zinc/12/98/54/590129854.db2.gz LWGIYPCLXMICAO-UHFFFAOYSA-N 1 2 343.431 0.117 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ncc3n2CCCC3)CC1 ZINC000865177892 590129855 /nfs/dbraw/zinc/12/98/55/590129855.db2.gz LWGIYPCLXMICAO-UHFFFAOYSA-N 1 2 343.431 0.117 20 30 ECEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1sccc1C#N ZINC000874348125 590233922 /nfs/dbraw/zinc/23/39/22/590233922.db2.gz RPWFWSDZYQDPMZ-LBPRGKRZSA-N 1 2 336.417 0.785 20 30 ECEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1sccc1C#N ZINC000874348125 590233923 /nfs/dbraw/zinc/23/39/23/590233923.db2.gz RPWFWSDZYQDPMZ-LBPRGKRZSA-N 1 2 336.417 0.785 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000875286498 590290212 /nfs/dbraw/zinc/29/02/12/590290212.db2.gz BJXUPJZAQFHCBC-GDBMZVCRSA-N 1 2 329.400 0.444 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000875286498 590290214 /nfs/dbraw/zinc/29/02/14/590290214.db2.gz BJXUPJZAQFHCBC-GDBMZVCRSA-N 1 2 329.400 0.444 20 30 ECEDLO CNC(=O)NC[C@H]1COCC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC000879421860 590310509 /nfs/dbraw/zinc/31/05/09/590310509.db2.gz BSUSOQSTZQSYHD-HNNXBMFYSA-N 1 2 332.404 0.957 20 30 ECEDLO CNC(=O)NC[C@H]1COCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000879421860 590310510 /nfs/dbraw/zinc/31/05/10/590310510.db2.gz BSUSOQSTZQSYHD-HNNXBMFYSA-N 1 2 332.404 0.957 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@]2(CC(C(=O)OC)=NO2)C1 ZINC000879484271 590314865 /nfs/dbraw/zinc/31/48/65/590314865.db2.gz USXYXCISPIAISI-MLGOLLRUSA-N 1 2 336.392 0.388 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@]2(CC(C(=O)OC)=NO2)C1 ZINC000879484271 590314868 /nfs/dbraw/zinc/31/48/68/590314868.db2.gz USXYXCISPIAISI-MLGOLLRUSA-N 1 2 336.392 0.388 20 30 ECEDLO CN(C)S(=O)(=O)CC[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000879591459 590327112 /nfs/dbraw/zinc/32/71/12/590327112.db2.gz XEQDMHIQBFVKIC-UHFFFAOYSA-N 1 2 340.424 0.711 20 30 ECEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000879717688 590337235 /nfs/dbraw/zinc/33/72/35/590337235.db2.gz HPVUIOKBUJYYLP-RDJZCZTQSA-N 1 2 345.399 0.925 20 30 ECEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000879717688 590337236 /nfs/dbraw/zinc/33/72/36/590337236.db2.gz HPVUIOKBUJYYLP-RDJZCZTQSA-N 1 2 345.399 0.925 20 30 ECEDLO C#CCC[C@H](O)CNC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000875886733 590342796 /nfs/dbraw/zinc/34/27/96/590342796.db2.gz WFKWOZATDMQPEB-DLBZAZTESA-N 1 2 346.431 0.356 20 30 ECEDLO C#CCC[C@H](O)CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000875886733 590342799 /nfs/dbraw/zinc/34/27/99/590342799.db2.gz WFKWOZATDMQPEB-DLBZAZTESA-N 1 2 346.431 0.356 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)cc1 ZINC000879932968 590352567 /nfs/dbraw/zinc/35/25/67/590352567.db2.gz YVKVWWDQWGJJOJ-HOTGVXAUSA-N 1 2 347.440 0.541 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)cc1 ZINC000879932968 590352569 /nfs/dbraw/zinc/35/25/69/590352569.db2.gz YVKVWWDQWGJJOJ-HOTGVXAUSA-N 1 2 347.440 0.541 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CCN2c3ccccc3O[C@H](C)C2=O)CC1 ZINC000128319994 590379396 /nfs/dbraw/zinc/37/93/96/590379396.db2.gz AEQWFGDLNKAUJW-OAHLLOKOSA-N 1 2 341.411 0.968 20 30 ECEDLO C#CCC1(O)CC[NH+](CC2=C(C(=O)OCC)[C@H](C)NC(=O)N2)CC1 ZINC000880476800 590394530 /nfs/dbraw/zinc/39/45/30/590394530.db2.gz GHNVUZAVJAHZOS-LBPRGKRZSA-N 1 2 335.404 0.355 20 30 ECEDLO COC(=O)[C@@]1(O)CC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000880563022 590405194 /nfs/dbraw/zinc/40/51/94/590405194.db2.gz DVUKJXUMSRKWLQ-RHSMWYFYSA-N 1 2 329.356 0.273 20 30 ECEDLO COC(=O)[C@@]1(O)CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000880563022 590405196 /nfs/dbraw/zinc/40/51/96/590405196.db2.gz DVUKJXUMSRKWLQ-RHSMWYFYSA-N 1 2 329.356 0.273 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000880818397 590421393 /nfs/dbraw/zinc/42/13/93/590421393.db2.gz VPIMXMMWWDJYBZ-UHFFFAOYSA-N 1 2 327.410 0.051 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000880818397 590421395 /nfs/dbraw/zinc/42/13/95/590421395.db2.gz VPIMXMMWWDJYBZ-UHFFFAOYSA-N 1 2 327.410 0.051 20 30 ECEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(CC(=O)NCCC#N)CC2)C1 ZINC000024541032 590446919 /nfs/dbraw/zinc/44/69/19/590446919.db2.gz GCUOLYULNIIWBO-IYBDPMFKSA-N 1 2 349.479 0.138 20 30 ECEDLO C[C@]12C[N@H+](Cc3cnc4c(C#N)cnn4c3)C[C@@]1(C)CS(=O)(=O)C2 ZINC000877815359 590483279 /nfs/dbraw/zinc/48/32/79/590483279.db2.gz ZLTVNGUZSCWDLB-IYBDPMFKSA-N 1 2 345.428 0.858 20 30 ECEDLO C[C@]12C[N@@H+](Cc3cnc4c(C#N)cnn4c3)C[C@@]1(C)CS(=O)(=O)C2 ZINC000877815359 590483281 /nfs/dbraw/zinc/48/32/81/590483281.db2.gz ZLTVNGUZSCWDLB-IYBDPMFKSA-N 1 2 345.428 0.858 20 30 ECEDLO C#C[C@H](CO)NC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000878132476 590500874 /nfs/dbraw/zinc/50/08/74/590500874.db2.gz WJGQEAYXPVETEU-CYBMUJFWSA-N 1 2 330.388 0.190 20 30 ECEDLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(CCC#N)cc2)CC1 ZINC000885025919 590675197 /nfs/dbraw/zinc/67/51/97/590675197.db2.gz RVBWMDFEARICPB-AWEZNQCLSA-N 1 2 337.445 0.830 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)n1cc(C[NH+]2CCC(O)CC2)nn1 ZINC000883991177 590696509 /nfs/dbraw/zinc/69/65/09/590696509.db2.gz SYMITEYESRWFGQ-CQSZACIVSA-N 1 2 333.436 0.996 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)C[C@@]2(OC(C)C)CCOC2)C1 ZINC000885509686 590728685 /nfs/dbraw/zinc/72/86/85/590728685.db2.gz WIWHBQGZNYAIJE-HZPDHXFCSA-N 1 2 344.477 0.588 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)C[C@@]2(OC(C)C)CCOC2)C1 ZINC000885509686 590728689 /nfs/dbraw/zinc/72/86/89/590728689.db2.gz WIWHBQGZNYAIJE-HZPDHXFCSA-N 1 2 344.477 0.588 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000884175892 590762556 /nfs/dbraw/zinc/76/25/56/590762556.db2.gz MGFMNEGGARWXFR-AWEZNQCLSA-N 1 2 335.379 0.921 20 30 ECEDLO C=CCOC(=O)[C@@H](N)CC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000884211156 590776824 /nfs/dbraw/zinc/77/68/24/590776824.db2.gz VIIIOOZLPMYGOT-GJZGRUSLSA-N 1 2 339.436 0.146 20 30 ECEDLO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CCC2)[C@H](C(=O)OC)C1 ZINC000886120308 590797428 /nfs/dbraw/zinc/79/74/28/590797428.db2.gz AXXGGDUYOZJAET-RDBSUJKOSA-N 1 2 338.404 0.858 20 30 ECEDLO COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)[C@H](C(=O)OC)C1 ZINC000886120308 590797432 /nfs/dbraw/zinc/79/74/32/590797432.db2.gz AXXGGDUYOZJAET-RDBSUJKOSA-N 1 2 338.404 0.858 20 30 ECEDLO N#C[C@]12CN(C(=O)[C@H]3CC[N@@H+]3C3CCCC3)C[C@@H]1CS(=O)(=O)C2 ZINC000886210150 590815101 /nfs/dbraw/zinc/81/51/01/590815101.db2.gz HSNFMGNSCWYIQV-XNRPHZJLSA-N 1 2 337.445 0.400 20 30 ECEDLO N#C[C@]12CN(C(=O)[C@H]3CC[N@H+]3C3CCCC3)C[C@@H]1CS(=O)(=O)C2 ZINC000886210150 590815104 /nfs/dbraw/zinc/81/51/04/590815104.db2.gz HSNFMGNSCWYIQV-XNRPHZJLSA-N 1 2 337.445 0.400 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[C@H]2CCCS2(=O)=O)C1 ZINC000889805786 591098931 /nfs/dbraw/zinc/09/89/31/591098931.db2.gz RQOWQVXWZAMPCD-ZIAGYGMSSA-N 1 2 327.450 0.351 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[C@H]2CCCS2(=O)=O)C1 ZINC000889805786 591098936 /nfs/dbraw/zinc/09/89/36/591098936.db2.gz RQOWQVXWZAMPCD-ZIAGYGMSSA-N 1 2 327.450 0.351 20 30 ECEDLO C#CC1(O)CC[NH+](CC(=O)N[C@@H](Cc2ccccc2)C(C)=O)CC1 ZINC000931142435 611510695 /nfs/dbraw/zinc/51/06/95/611510695.db2.gz CEYPXZPRWDIACR-KRWDZBQOSA-N 1 2 328.412 0.763 20 30 ECEDLO COC1(OC)CC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C[C@H]1O ZINC000931635552 611559001 /nfs/dbraw/zinc/55/90/01/611559001.db2.gz JSTTYLDJWFEMIH-IUODEOHRSA-N 1 2 333.388 0.941 20 30 ECEDLO COC1(OC)CC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C[C@H]1O ZINC000931635552 611559004 /nfs/dbraw/zinc/55/90/04/611559004.db2.gz JSTTYLDJWFEMIH-IUODEOHRSA-N 1 2 333.388 0.941 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CC1)C[N@@H+]([C@@H]1CCN(C)C1=O)CCO2 ZINC000949320713 608633532 /nfs/dbraw/zinc/63/35/32/608633532.db2.gz UBHRJEKZISKCRS-ZIAGYGMSSA-N 1 2 334.420 0.070 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CC1)C[N@H+]([C@@H]1CCN(C)C1=O)CCO2 ZINC000949320713 608633535 /nfs/dbraw/zinc/63/35/35/608633535.db2.gz UBHRJEKZISKCRS-ZIAGYGMSSA-N 1 2 334.420 0.070 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1nncn1C ZINC000947204385 608917526 /nfs/dbraw/zinc/91/75/26/608917526.db2.gz CTULILLJHZBDQK-YPMHNXCESA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1nncn1C ZINC000947204385 608917528 /nfs/dbraw/zinc/91/75/28/608917528.db2.gz CTULILLJHZBDQK-YPMHNXCESA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1cnn(C)n1 ZINC000947204706 608918100 /nfs/dbraw/zinc/91/81/00/608918100.db2.gz GTHCEXJJVDPICR-DGCLKSJQSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1cnn(C)n1 ZINC000947204706 608918102 /nfs/dbraw/zinc/91/81/02/608918102.db2.gz GTHCEXJJVDPICR-DGCLKSJQSA-N 1 2 327.392 0.798 20 30 ECEDLO O=C(NCC#CCO)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000923763935 608939158 /nfs/dbraw/zinc/93/91/58/608939158.db2.gz CXZMRGWRNZPWBF-UHFFFAOYSA-N 1 2 326.400 0.991 20 30 ECEDLO CN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000937177706 609022946 /nfs/dbraw/zinc/02/29/46/609022946.db2.gz MUPSXLXLPMVGEF-GFCCVEGCSA-N 1 2 326.360 0.525 20 30 ECEDLO CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000937177707 609023181 /nfs/dbraw/zinc/02/31/81/609023181.db2.gz MUPSXLXLPMVGEF-LBPRGKRZSA-N 1 2 326.360 0.525 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)C2CCS(=O)(=O)CC2)C[C@@H]1C ZINC000947761907 611680547 /nfs/dbraw/zinc/68/05/47/611680547.db2.gz SALMAFDILQXXBM-DZGCQCFKSA-N 1 2 326.462 0.804 20 30 ECEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)C2CCS(=O)(=O)CC2)C[C@@H]1C ZINC000947761907 611680548 /nfs/dbraw/zinc/68/05/48/611680548.db2.gz SALMAFDILQXXBM-DZGCQCFKSA-N 1 2 326.462 0.804 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000936336975 609081231 /nfs/dbraw/zinc/08/12/31/609081231.db2.gz MQTJZDPXWJNPSG-CYBMUJFWSA-N 1 2 327.388 0.971 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000937850253 609113939 /nfs/dbraw/zinc/11/39/39/609113939.db2.gz AWAPNWPHJXXHHZ-AAEUAGOBSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000937850253 609113941 /nfs/dbraw/zinc/11/39/41/609113941.db2.gz AWAPNWPHJXXHHZ-AAEUAGOBSA-N 1 2 340.387 0.819 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000938167956 609477120 /nfs/dbraw/zinc/47/71/20/609477120.db2.gz QFOFTAUSTRCGHS-CABCVRRESA-N 1 2 326.400 0.576 20 30 ECEDLO C#CC[C@@H](CO)NC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000923904432 609605518 /nfs/dbraw/zinc/60/55/18/609605518.db2.gz PPHBHBMDKWJOAX-AWEZNQCLSA-N 1 2 339.436 0.476 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)s1 ZINC000908015001 609637424 /nfs/dbraw/zinc/63/74/24/609637424.db2.gz MKJVPQJERWFLAH-CHWSQXEVSA-N 1 2 341.458 0.839 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)s1 ZINC000908015001 609637426 /nfs/dbraw/zinc/63/74/26/609637426.db2.gz MKJVPQJERWFLAH-CHWSQXEVSA-N 1 2 341.458 0.839 20 30 ECEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cccc(C#CCO)c1 ZINC000908146567 609645108 /nfs/dbraw/zinc/64/51/08/609645108.db2.gz UOCVPCQICRVWRG-MAUKXSAKSA-N 1 2 328.412 0.966 20 30 ECEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cc(C(=O)OC)ccn2)CC1 ZINC000921435847 609716316 /nfs/dbraw/zinc/71/63/16/609716316.db2.gz JDYCOAWCTWNPFE-UHFFFAOYSA-N 1 2 337.401 0.244 20 30 ECEDLO C=CCn1cccc1C(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000938531115 609845700 /nfs/dbraw/zinc/84/57/00/609845700.db2.gz POVZAMVMVGNTPJ-ZDUSSCGKSA-N 1 2 327.388 0.971 20 30 ECEDLO N#Cc1cc(F)ccc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000917056448 609959553 /nfs/dbraw/zinc/95/95/53/609959553.db2.gz TUBVJQRJXZKYJJ-CQSZACIVSA-N 1 2 338.408 0.366 20 30 ECEDLO N#Cc1cc(F)ccc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000917056448 609959555 /nfs/dbraw/zinc/95/95/55/609959555.db2.gz TUBVJQRJXZKYJJ-CQSZACIVSA-N 1 2 338.408 0.366 20 30 ECEDLO Cc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c(C#N)c1 ZINC000917066240 609960387 /nfs/dbraw/zinc/96/03/87/609960387.db2.gz HTXWMMAYIKMEQU-HNNXBMFYSA-N 1 2 334.445 0.535 20 30 ECEDLO Cc1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c(C#N)c1 ZINC000917066240 609960388 /nfs/dbraw/zinc/96/03/88/609960388.db2.gz HTXWMMAYIKMEQU-HNNXBMFYSA-N 1 2 334.445 0.535 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000938780534 609996718 /nfs/dbraw/zinc/99/67/18/609996718.db2.gz YFZFXMHEJACOJB-XHSDSOJGSA-N 1 2 346.431 0.924 20 30 ECEDLO O=C(C#Cc1ccc2c(c1)OCO2)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000912897321 610018204 /nfs/dbraw/zinc/01/82/04/610018204.db2.gz YDOHPCQJDDZIQK-UHFFFAOYSA-N 1 2 344.367 0.332 20 30 ECEDLO O=C(C#Cc1ccc2c(c1)OCO2)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000912897321 610018208 /nfs/dbraw/zinc/01/82/08/610018208.db2.gz YDOHPCQJDDZIQK-UHFFFAOYSA-N 1 2 344.367 0.332 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000939756209 610122258 /nfs/dbraw/zinc/12/22/58/610122258.db2.gz CPPVTVVDCRZHSI-MJBXVCDLSA-N 1 2 332.404 0.603 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000939756434 610122711 /nfs/dbraw/zinc/12/27/11/610122711.db2.gz FPUBHMWDGZRSQW-FMKPAKJESA-N 1 2 346.431 0.911 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000939907784 610168787 /nfs/dbraw/zinc/16/87/87/610168787.db2.gz BNLVIMIBALBMOH-AWEZNQCLSA-N 1 2 326.360 0.525 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cn(-c4ccccc4)cn3)CC2)C1 ZINC000941416493 610304162 /nfs/dbraw/zinc/30/41/62/610304162.db2.gz BKJFPYHUDJMSKH-UHFFFAOYSA-N 1 2 349.438 0.948 20 30 ECEDLO C#CCC[NH+]1CC(N2CCN(C(=O)c3cn(C)c(C)cc3=O)CC2)C1 ZINC000941446674 610322088 /nfs/dbraw/zinc/32/20/88/610322088.db2.gz CAKRZNVCJLJRCG-UHFFFAOYSA-N 1 2 342.443 0.159 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000941447910 610322897 /nfs/dbraw/zinc/32/28/97/610322897.db2.gz ATQPHLNMTZIWIV-UONOGXRCSA-N 1 2 329.404 0.666 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc(COC)o3)CC2)C1 ZINC000941480417 610335414 /nfs/dbraw/zinc/33/54/14/610335414.db2.gz LUFZKLFAZFODKH-UHFFFAOYSA-N 1 2 331.416 0.891 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCn3nc(C)cc3C)CC2)C1 ZINC000941509773 610341775 /nfs/dbraw/zinc/34/17/75/610341775.db2.gz WLZBVHHEFKDISR-UHFFFAOYSA-N 1 2 343.475 0.742 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ncoc3[C@@H]3CCCO3)CC2)C1 ZINC000941513393 610352409 /nfs/dbraw/zinc/35/24/09/610352409.db2.gz ALDAASKHCXDMMT-HNNXBMFYSA-N 1 2 344.415 0.601 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc(C(N)=O)s3)CC2)C1 ZINC000941605631 610404437 /nfs/dbraw/zinc/40/44/37/610404437.db2.gz QXKCTFLUECONQY-UHFFFAOYSA-N 1 2 346.456 0.312 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnc(C)nc3C)CC2)C1 ZINC000941610962 610407871 /nfs/dbraw/zinc/40/78/71/610407871.db2.gz FDUSNPIBWKEKKZ-UHFFFAOYSA-N 1 2 327.432 0.559 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCO[C@@H](C(C)C)C3)CC2)C1 ZINC000941632649 610418617 /nfs/dbraw/zinc/41/86/17/610418617.db2.gz MVVHWTGDXHUYPT-SJLPKXTDSA-N 1 2 333.476 0.899 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C(=O)N3CCC[C@H]3CC)CC2)C1 ZINC000941632822 610419086 /nfs/dbraw/zinc/41/90/86/610419086.db2.gz SPQMBDHOHOAYJT-MRXNPFEDSA-N 1 2 346.475 0.239 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc4c(c3)N(C)CC4)CC2)C1 ZINC000941655262 610429792 /nfs/dbraw/zinc/42/97/92/610429792.db2.gz SNWCQERVWUGSOU-UHFFFAOYSA-N 1 2 338.455 0.754 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCN3C(=O)C(C)C)CC2)C1 ZINC000941669234 610459110 /nfs/dbraw/zinc/45/91/10/610459110.db2.gz WLIUZWFSTDBABB-KRWDZBQOSA-N 1 2 346.475 0.095 20 30 ECEDLO O=C(C#CC1CC1)N1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000941004231 610488291 /nfs/dbraw/zinc/48/82/91/610488291.db2.gz SDSLRTPJJWNEOU-INIZCTEOSA-N 1 2 340.427 0.920 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccco2)C[C@H]1OC ZINC000942513175 610492648 /nfs/dbraw/zinc/49/26/48/610492648.db2.gz GMGHUQKUKMTBGZ-IJEWVQPXSA-N 1 2 345.399 0.333 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccco2)C[C@H]1OC ZINC000942513175 610492650 /nfs/dbraw/zinc/49/26/50/610492650.db2.gz GMGHUQKUKMTBGZ-IJEWVQPXSA-N 1 2 345.399 0.333 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3ncn[nH]3)C(C)(C)C2)C1=O ZINC000941110982 610542822 /nfs/dbraw/zinc/54/28/22/610542822.db2.gz NJHXWTOZFXAGKY-CHWSQXEVSA-N 1 2 346.435 0.422 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3ncn[nH]3)C(C)(C)C2)C1=O ZINC000941110982 610542824 /nfs/dbraw/zinc/54/28/24/610542824.db2.gz NJHXWTOZFXAGKY-CHWSQXEVSA-N 1 2 346.435 0.422 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3nc[nH]n3)C(C)(C)C2)C1=O ZINC000941110982 610542826 /nfs/dbraw/zinc/54/28/26/610542826.db2.gz NJHXWTOZFXAGKY-CHWSQXEVSA-N 1 2 346.435 0.422 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3nc[nH]n3)C(C)(C)C2)C1=O ZINC000941110982 610542827 /nfs/dbraw/zinc/54/28/27/610542827.db2.gz NJHXWTOZFXAGKY-CHWSQXEVSA-N 1 2 346.435 0.422 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000942720124 610584449 /nfs/dbraw/zinc/58/44/49/610584449.db2.gz OHEIQCLQGLAHHD-CABCVRRESA-N 1 2 337.464 0.979 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000942720124 610584452 /nfs/dbraw/zinc/58/44/52/610584452.db2.gz OHEIQCLQGLAHHD-CABCVRRESA-N 1 2 337.464 0.979 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cn(C)nn3)C[C@H]2C)cn1 ZINC000944213137 610785584 /nfs/dbraw/zinc/78/55/84/610785584.db2.gz AXRWYNLGAJAKQE-DYVFJYSZSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nn3)C[C@H]2C)cn1 ZINC000944213137 610785587 /nfs/dbraw/zinc/78/55/87/610785587.db2.gz AXRWYNLGAJAKQE-DYVFJYSZSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(C)n3)C[C@@H]2C)cn1 ZINC000944216255 610787679 /nfs/dbraw/zinc/78/76/79/610787679.db2.gz YBPUSMAZALAWMX-GUYCJALGSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cnn(C)n3)C[C@@H]2C)cn1 ZINC000944216255 610787681 /nfs/dbraw/zinc/78/76/81/610787681.db2.gz YBPUSMAZALAWMX-GUYCJALGSA-N 1 2 338.415 0.832 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3nccn3C)C[C@H]2C)nn1 ZINC000943480271 610867785 /nfs/dbraw/zinc/86/77/85/610867785.db2.gz BNPALCAMERAABM-ZIAGYGMSSA-N 1 2 343.435 0.838 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3nccn3C)C[C@H]2C)nn1 ZINC000943480271 610867786 /nfs/dbraw/zinc/86/77/86/610867786.db2.gz BNPALCAMERAABM-ZIAGYGMSSA-N 1 2 343.435 0.838 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000945542016 611065985 /nfs/dbraw/zinc/06/59/85/611065985.db2.gz NKULUPXHEKTGKO-ABAIWWIYSA-N 1 2 340.387 0.819 20 30 ECEDLO N#C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC000921545019 611247493 /nfs/dbraw/zinc/24/74/93/611247493.db2.gz UAXINKJIJGDUFX-HZPDHXFCSA-N 1 2 348.447 0.366 20 30 ECEDLO N#C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC000921545018 611247640 /nfs/dbraw/zinc/24/76/40/611247640.db2.gz UAXINKJIJGDUFX-HOTGVXAUSA-N 1 2 348.447 0.366 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)Sc2nnnn2C2CC2)C1 ZINC000923580780 611268796 /nfs/dbraw/zinc/26/87/96/611268796.db2.gz COSDGTKHLYCYDP-RYUDHWBXSA-N 1 2 334.449 0.702 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)Sc2nnnn2C2CC2)C1 ZINC000923580780 611268798 /nfs/dbraw/zinc/26/87/98/611268798.db2.gz COSDGTKHLYCYDP-RYUDHWBXSA-N 1 2 334.449 0.702 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1cc(C#N)ccc1F ZINC000888361117 611302322 /nfs/dbraw/zinc/30/23/22/611302322.db2.gz YBUMITHSXRZKOO-ZDUSSCGKSA-N 1 2 336.367 0.854 20 30 ECEDLO C#CC[C@H]1NC(=O)N([C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1=O ZINC000842241997 611312875 /nfs/dbraw/zinc/31/28/75/611312875.db2.gz CEFIDFCWNICYGT-DLBZAZTESA-N 1 2 341.411 0.874 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cn(C)nn3)[C@H](C)C2)nc1 ZINC000947949313 611753216 /nfs/dbraw/zinc/75/32/16/611753216.db2.gz TZUVKEBGIJMQNZ-UKRRQHHQSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cn(C)nn3)[C@H](C)C2)nc1 ZINC000947949313 611753218 /nfs/dbraw/zinc/75/32/18/611753218.db2.gz TZUVKEBGIJMQNZ-UKRRQHHQSA-N 1 2 338.415 0.974 20 30 ECEDLO Cc1nnc(C[NH+]2CCC3(CC2)CN(C(=O)[C@@H](C)C#N)CCO3)o1 ZINC000949051985 611829306 /nfs/dbraw/zinc/82/93/06/611829306.db2.gz UKOURUDFNVGCNI-LBPRGKRZSA-N 1 2 333.392 0.731 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1CCN1C(=O)C#CC1CC1)C2 ZINC000950748004 611885427 /nfs/dbraw/zinc/88/54/27/611885427.db2.gz GWTCGKCJGCAFJW-HUUCEWRRSA-N 1 2 340.427 0.954 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCN1C(=O)C#CC1CC1)CC2 ZINC000950748004 611885428 /nfs/dbraw/zinc/88/54/28/611885428.db2.gz GWTCGKCJGCAFJW-HUUCEWRRSA-N 1 2 340.427 0.954 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cn1cc[nH+]c1 ZINC000950235699 611920330 /nfs/dbraw/zinc/92/03/30/611920330.db2.gz YFSBRBUHNJDQGK-KFWWJZLASA-N 1 2 332.404 0.581 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000949298029 611931185 /nfs/dbraw/zinc/93/11/85/611931185.db2.gz HTZMPMLCXYQTMA-FZMZJTMJSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000949298029 611931187 /nfs/dbraw/zinc/93/11/87/611931187.db2.gz HTZMPMLCXYQTMA-FZMZJTMJSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H](C(N)=O)[N@@H+]1CCOC2(CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000949331921 611941099 /nfs/dbraw/zinc/94/10/99/611941099.db2.gz IHBRJQSGGYQRIR-LBPRGKRZSA-N 1 2 345.403 0.067 20 30 ECEDLO C[C@@H](C(N)=O)[N@H+]1CCOC2(CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000949331921 611941101 /nfs/dbraw/zinc/94/11/01/611941101.db2.gz IHBRJQSGGYQRIR-LBPRGKRZSA-N 1 2 345.403 0.067 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)CCn3ccccc3=O)CC2)C1 ZINC000949379284 611957318 /nfs/dbraw/zinc/95/73/18/611957318.db2.gz WEHAOQOIQZHFTB-UHFFFAOYSA-N 1 2 343.427 0.565 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)CCn3ccccc3=O)CC2)C1 ZINC000949379284 611957320 /nfs/dbraw/zinc/95/73/20/611957320.db2.gz WEHAOQOIQZHFTB-UHFFFAOYSA-N 1 2 343.427 0.565 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cn4c(n3)COCC4)CC2)C1 ZINC000949398376 611964785 /nfs/dbraw/zinc/96/47/85/611964785.db2.gz KNZNPGDYKBMMLH-UHFFFAOYSA-N 1 2 344.415 0.354 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cn4c(n3)COCC4)CC2)C1 ZINC000949398376 611964788 /nfs/dbraw/zinc/96/47/88/611964788.db2.gz KNZNPGDYKBMMLH-UHFFFAOYSA-N 1 2 344.415 0.354 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000949472250 611992187 /nfs/dbraw/zinc/99/21/87/611992187.db2.gz QMJFMPVYRZOUKA-DLTWYDFYSA-N 1 2 346.431 0.827 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cc(C(N)=O)c[nH]3)CC2)C1 ZINC000949500315 612009460 /nfs/dbraw/zinc/00/94/60/612009460.db2.gz FANZWHDNDJKAKZ-UHFFFAOYSA-N 1 2 330.388 0.054 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cc(C(N)=O)c[nH]3)CC2)C1 ZINC000949500315 612009461 /nfs/dbraw/zinc/00/94/61/612009461.db2.gz FANZWHDNDJKAKZ-UHFFFAOYSA-N 1 2 330.388 0.054 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)Cc2c[nH+]cn2C)cc1 ZINC000951440060 612234717 /nfs/dbraw/zinc/23/47/17/612234717.db2.gz XLGDFSUEJYECGB-INIZCTEOSA-N 1 2 336.395 0.975 20 30 ECEDLO N#Cc1cc(C(=O)N[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)c[nH]1 ZINC000952149009 612247934 /nfs/dbraw/zinc/24/79/34/612247934.db2.gz CEWBOGOZMBOCED-LBPRGKRZSA-N 1 2 326.360 0.573 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)cn1 ZINC000952149045 612248037 /nfs/dbraw/zinc/24/80/37/612248037.db2.gz DKJSYCYYRUTOQF-OAHLLOKOSA-N 1 2 337.383 0.750 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)c[nH]1 ZINC000951458423 612248217 /nfs/dbraw/zinc/24/82/17/612248217.db2.gz IEJFPKMCNBLWTK-CQSZACIVSA-N 1 2 340.387 0.894 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000955364322 612501823 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20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCN2C(=O)Cn2cc[nH+]c2)c1 ZINC000956078653 612682869 /nfs/dbraw/zinc/68/28/69/612682869.db2.gz VUYDVTUFEWFJQE-ZDUSSCGKSA-N 1 2 326.360 0.504 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)C#CC1CC1 ZINC000955677110 612757392 /nfs/dbraw/zinc/75/73/92/612757392.db2.gz YHKXGTKZKOJDIJ-HIFRSBDPSA-N 1 2 328.416 0.872 20 30 ECEDLO C#Cc1ccccc1CC(=O)N(C)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000954932184 612795003 /nfs/dbraw/zinc/79/50/03/612795003.db2.gz NJLFUMKWCKVXHE-UHFFFAOYSA-N 1 2 336.395 0.776 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[NH+]([C@@H]3CCN(C(=O)CC)C3)CC2)c1 ZINC000956603600 612924203 /nfs/dbraw/zinc/92/42/03/612924203.db2.gz CUVIUARAYYLYTH-QGZVFWFLSA-N 1 2 340.427 0.832 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc4c([nH]c3=O)CCCC4)[C@H]2C1 ZINC001083231294 735351125 /nfs/dbraw/zinc/35/11/25/735351125.db2.gz SDDLAGNHMUQKJU-DLBZAZTESA-N 1 2 341.411 0.824 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4c([nH]c3=O)CCCC4)[C@H]2C1 ZINC001083231294 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C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)C2)C1 ZINC000972629842 737161579 /nfs/dbraw/zinc/16/15/79/737161579.db2.gz DMHFVHRLELLQBW-QAPCUYQASA-N 1 2 335.448 0.734 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CC[C@@H](C)C3)C2)C1 ZINC000972632446 737172136 /nfs/dbraw/zinc/17/21/36/737172136.db2.gz SGFIOIQXLNVAGP-QAPCUYQASA-N 1 2 333.432 0.181 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CC[C@@H](C)C3)C2)C1 ZINC000972632446 737172138 /nfs/dbraw/zinc/17/21/38/737172138.db2.gz SGFIOIQXLNVAGP-QAPCUYQASA-N 1 2 333.432 0.181 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCN(C)C3=O)C2)C1 ZINC000972633976 737179809 /nfs/dbraw/zinc/17/98/09/737179809.db2.gz JJGSZZRGWQJZOW-LPHOPBHVSA-N 1 2 347.459 0.572 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCN(C)C3=O)C2)C1 ZINC000972633976 737179811 /nfs/dbraw/zinc/17/98/11/737179811.db2.gz JJGSZZRGWQJZOW-LPHOPBHVSA-N 1 2 347.459 0.572 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(N(C)C)nn3)C2)C1 ZINC000972640219 737205300 /nfs/dbraw/zinc/20/53/00/737205300.db2.gz GZGWBFRNWCGZPK-QGZVFWFLSA-N 1 2 331.420 0.646 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(N(C)C)nn3)C2)C1 ZINC000972640219 737205302 /nfs/dbraw/zinc/20/53/02/737205302.db2.gz GZGWBFRNWCGZPK-QGZVFWFLSA-N 1 2 331.420 0.646 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCCCC(=O)N3)C2)C1 ZINC000972654515 737261306 /nfs/dbraw/zinc/26/13/06/737261306.db2.gz QUSGFFMFTFODJZ-QAPCUYQASA-N 1 2 335.448 0.925 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCCCC(=O)N3)C2)C1 ZINC000972654515 737261307 /nfs/dbraw/zinc/26/13/07/737261307.db2.gz QUSGFFMFTFODJZ-QAPCUYQASA-N 1 2 335.448 0.925 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3nc4nccc(C)n4n3)C2)C1 ZINC000972660520 737274285 /nfs/dbraw/zinc/27/42/85/737274285.db2.gz UIQOWGIBHCBXGS-KRWDZBQOSA-N 1 2 342.403 0.536 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3nc4nccc(C)n4n3)C2)C1 ZINC000972660520 737274289 /nfs/dbraw/zinc/27/42/89/737274289.db2.gz UIQOWGIBHCBXGS-KRWDZBQOSA-N 1 2 342.403 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751421728 /nfs/dbraw/zinc/42/17/28/751421728.db2.gz FDCLXHDTTHEOGG-OAHLLOKOSA-N 1 2 346.435 0.059 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)CCc3cn[nH]n3)CC2)C1=O ZINC000981989478 751421734 /nfs/dbraw/zinc/42/17/34/751421734.db2.gz FDCLXHDTTHEOGG-OAHLLOKOSA-N 1 2 346.435 0.059 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)CCc3c[nH]nn3)CC2)C1=O ZINC000981989478 751421739 /nfs/dbraw/zinc/42/17/39/751421739.db2.gz FDCLXHDTTHEOGG-OAHLLOKOSA-N 1 2 346.435 0.059 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)CCc3c[nH]nn3)CC2)C1=O ZINC000981989478 751421743 /nfs/dbraw/zinc/42/17/43/751421743.db2.gz FDCLXHDTTHEOGG-OAHLLOKOSA-N 1 2 346.435 0.059 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H](C)C2CN(C(=O)Cc3c[nH+]c[nH]3)C2)cn1 ZINC001006528110 751483639 /nfs/dbraw/zinc/48/36/39/751483639.db2.gz GBSDMBNHOSLVPV-GFCCVEGCSA-N 1 2 337.383 0.605 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CC2CC(OCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006271 790306357 /nfs/dbraw/zinc/30/63/57/790306357.db2.gz NEACNMIHEPOOMJ-BACDZXNISA-N 1 2 345.447 0.848 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CC2CC(OCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006271 790306360 /nfs/dbraw/zinc/30/63/60/790306360.db2.gz NEACNMIHEPOOMJ-BACDZXNISA-N 1 2 345.447 0.848 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(N(C)C)ccn3)[C@H]2C1 ZINC001083289336 740324612 /nfs/dbraw/zinc/32/46/12/740324612.db2.gz HVEDINBDFMQHKC-DLBZAZTESA-N 1 2 328.416 0.696 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(N(C)C)ccn3)[C@H]2C1 ZINC001083289336 740324617 /nfs/dbraw/zinc/32/46/17/740324617.db2.gz HVEDINBDFMQHKC-DLBZAZTESA-N 1 2 328.416 0.696 20 30 ECEDLO C=CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ncnn2C)C1 ZINC001112069599 741089684 /nfs/dbraw/zinc/08/96/84/741089684.db2.gz FOXNUDOTEFBIOI-GHMZBOCLSA-N 1 2 347.341 0.497 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001020446885 751621237 /nfs/dbraw/zinc/62/12/37/751621237.db2.gz SOIWSLRRJMQIFF-FQLMCAECSA-N 1 2 346.431 0.957 20 30 ECEDLO C#CCNC(=O)CC(=O)N1CCC[C@H]([C@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001105077360 741307640 /nfs/dbraw/zinc/30/76/40/741307640.db2.gz MTKUAPXYPCIMJW-ZFWWWQNUSA-N 1 2 343.431 0.964 20 30 ECEDLO C#CCNC(=O)CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001105094746 741345577 /nfs/dbraw/zinc/34/55/77/741345577.db2.gz ZNOWLVHODRCADX-HIFRSBDPSA-N 1 2 343.431 0.964 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCn3cccn3)C2)nn1 ZINC001098618630 741409613 /nfs/dbraw/zinc/40/96/13/741409613.db2.gz GWFQIAVNAKYOEP-INIZCTEOSA-N 1 2 341.419 0.451 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CC[C@H]3CCOC3)C2)nn1 ZINC001105207346 741474205 /nfs/dbraw/zinc/47/42/05/741474205.db2.gz OYDRHZBLDCPDLI-AWEZNQCLSA-N 1 2 331.420 0.591 20 30 ECEDLO C#CCCCC(=O)N1CC(n2cc(C[NH2+]CC(=O)NCCC)nn2)C1 ZINC001105225251 741506812 /nfs/dbraw/zinc/50/68/12/741506812.db2.gz NUIATGIBDQBHSL-UHFFFAOYSA-N 1 2 346.435 0.081 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@@H](Nc1nc(N(C)C)nc(C)[nH+]1)C(C)C ZINC001105227011 741512514 /nfs/dbraw/zinc/51/25/14/741512514.db2.gz VYUINEATCHEWOB-GXTWGEPZSA-N 1 2 348.451 0.837 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccn(CC)n3)C2)nn1 ZINC001105244480 741549367 /nfs/dbraw/zinc/54/93/67/741549367.db2.gz ZPVNPYHTCQXSGA-UHFFFAOYSA-N 1 2 341.419 0.233 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccnc(C4CC4)c3)C2)nn1 ZINC001105276263 741629308 /nfs/dbraw/zinc/62/93/08/741629308.db2.gz DNOFVACWWNKZNQ-UHFFFAOYSA-N 1 2 336.399 0.970 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3nc(C)c(C)nc3C)C2)nn1 ZINC001105278558 741633492 /nfs/dbraw/zinc/63/34/92/741633492.db2.gz KFEXDMPWIBJVDG-UHFFFAOYSA-N 1 2 339.403 0.413 20 30 ECEDLO C=C(Cl)CNCc1cn(C2CN(C(=O)CCn3cc[nH+]c3)C2)nn1 ZINC001105294766 741665961 /nfs/dbraw/zinc/66/59/61/741665961.db2.gz FPCPDUSLPBEFAW-UHFFFAOYSA-N 1 2 349.826 0.790 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cocc3C)C2)nn1 ZINC001105301883 741692706 /nfs/dbraw/zinc/69/27/06/741692706.db2.gz XURUSCYAMLMYIB-UHFFFAOYSA-N 1 2 343.387 0.616 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001105310296 741715525 /nfs/dbraw/zinc/71/55/25/741715525.db2.gz WRZNDLJDUPFSSS-NWDGAFQWSA-N 1 2 334.424 0.227 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001105309749 741718095 /nfs/dbraw/zinc/71/80/95/741718095.db2.gz AZXAELMBWQIDEB-RYUDHWBXSA-N 1 2 334.424 0.227 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3nc(Cl)cs3)C2)nn1 ZINC001105312226 741721775 /nfs/dbraw/zinc/72/17/75/741721775.db2.gz GKZGOKSECKRMEO-UHFFFAOYSA-N 1 2 336.808 0.808 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H](C[NH2+]Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001026733094 741736222 /nfs/dbraw/zinc/73/62/22/741736222.db2.gz RKEOEPZZDFKLPH-NEPJUHHUSA-N 1 2 328.376 0.120 20 30 ECEDLO CC[C@@H](C)C(=O)N1CC[C@@H](n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001098622120 741766728 /nfs/dbraw/zinc/76/67/28/741766728.db2.gz AVSBTRBOPUVBDX-GDBMZVCRSA-N 1 2 333.436 0.837 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCOC[C@H]3C)C2)nn1 ZINC001105322595 741781712 /nfs/dbraw/zinc/78/17/12/741781712.db2.gz WVUWBNVOYFVMDW-CJNGLKHVSA-N 1 2 331.420 0.447 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3nccc4[nH]ccc43)C2)nn1 ZINC001105330085 741833851 /nfs/dbraw/zinc/83/38/51/741833851.db2.gz NWDAUDFAIRTRBV-UHFFFAOYSA-N 1 2 349.398 0.964 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1C[C@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 ZINC000974766550 742156052 /nfs/dbraw/zinc/15/60/52/742156052.db2.gz UYHICYGTKPZAGX-HZPDHXFCSA-N 1 2 340.427 0.825 20 30 ECEDLO C#CC[N@H+]1C[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C(C)(C)C1 ZINC000974800009 742203310 /nfs/dbraw/zinc/20/33/10/742203310.db2.gz UGNFYKQFCCPJHB-HNNXBMFYSA-N 1 2 332.448 0.835 20 30 ECEDLO C#CC[N@@H+]1C[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C(C)(C)C1 ZINC000974800009 742203312 /nfs/dbraw/zinc/20/33/12/742203312.db2.gz UGNFYKQFCCPJHB-HNNXBMFYSA-N 1 2 332.448 0.835 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[C@H](C)C3)C2)nn1 ZINC001105336314 742361583 /nfs/dbraw/zinc/36/15/83/742361583.db2.gz CIQORORCJHSZBM-GJZGRUSLSA-N 1 2 345.447 0.837 20 30 ECEDLO C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2c[nH]c[nH+]2)C3)nc1 ZINC001006719643 751722913 /nfs/dbraw/zinc/72/29/13/751722913.db2.gz HSVCNTOXEISPIO-OIISXLGYSA-N 1 2 349.394 0.890 20 30 ECEDLO CC(C)(C)[C@H](CNc1ccnc(C#N)n1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001125973513 742431072 /nfs/dbraw/zinc/43/10/72/742431072.db2.gz BCUYIHDCIDDGEY-NSHDSACASA-N 1 2 327.392 0.679 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000975262147 742646267 /nfs/dbraw/zinc/64/62/67/742646267.db2.gz LKZHAADUNOXGRW-MIGQKNRLSA-N 1 2 344.415 0.603 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)cn1 ZINC000975417914 742826885 /nfs/dbraw/zinc/82/68/85/742826885.db2.gz NSGXVIAYVUCYKD-RHSMWYFYSA-N 1 2 349.394 0.702 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)[C@@H]2C1 ZINC001075751597 743062639 /nfs/dbraw/zinc/06/26/39/743062639.db2.gz OTZCRMRODUQSIV-HBNTYKKESA-N 1 2 344.209 0.536 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)[C@@H]2C1 ZINC001075751597 743062652 /nfs/dbraw/zinc/06/26/52/743062652.db2.gz OTZCRMRODUQSIV-HBNTYKKESA-N 1 2 344.209 0.536 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]21 ZINC000975684167 743216950 /nfs/dbraw/zinc/21/69/50/743216950.db2.gz STRPIOZJPWPTFS-IHRRRGAJSA-N 1 2 329.404 0.951 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC000975850326 743353580 /nfs/dbraw/zinc/35/35/80/743353580.db2.gz ZAGRCFWGPWOLJL-JYJNAYRXSA-N 1 2 349.475 0.979 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC000975850326 743353586 /nfs/dbraw/zinc/35/35/86/743353586.db2.gz ZAGRCFWGPWOLJL-JYJNAYRXSA-N 1 2 349.475 0.979 20 30 ECEDLO Cc1cc(C#N)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2[nH]cc[nH+]2)n1 ZINC001058772002 744108157 /nfs/dbraw/zinc/10/81/57/744108157.db2.gz ZJYLBFVQBBSPNU-OKILXGFUSA-N 1 2 337.387 0.802 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000976923605 744482993 /nfs/dbraw/zinc/48/29/93/744482993.db2.gz SKKRWYOPJNEWEM-YRWFTTLQSA-N 1 2 348.406 0.680 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@H]32)nc1 ZINC000976909353 744485485 /nfs/dbraw/zinc/48/54/85/744485485.db2.gz KAGMJVDKXOKXNE-UOIKSKOESA-N 1 2 349.394 0.605 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CC[C@@H]3CCCCO3)C2)nn1 ZINC001105339688 744590773 /nfs/dbraw/zinc/59/07/73/744590773.db2.gz WBSZWUJRZWNGIZ-INIZCTEOSA-N 1 2 331.420 0.734 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1c1cncc(C#N)n1 ZINC001067543037 744721990 /nfs/dbraw/zinc/72/19/90/744721990.db2.gz RPBKQUKRGGNTHK-OLZOCXBDSA-N 1 2 325.376 0.718 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)c1 ZINC000977159402 744727649 /nfs/dbraw/zinc/72/76/49/744727649.db2.gz XQKYRERFFNJDST-QLPKVWCKSA-N 1 2 335.367 0.146 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CC(N)=O)CC2(C)C)cc1 ZINC000977272481 744827624 /nfs/dbraw/zinc/82/76/24/744827624.db2.gz JNMIKMHJHALYAR-OAHLLOKOSA-N 1 2 329.400 0.624 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+](CC(N)=O)CC2(C)C)cc1 ZINC000977272481 744827625 /nfs/dbraw/zinc/82/76/25/744827625.db2.gz JNMIKMHJHALYAR-OAHLLOKOSA-N 1 2 329.400 0.624 20 30 ECEDLO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@]2(C)CCCS2(=O)=O)C(C)(C)C1 ZINC000977309778 744853195 /nfs/dbraw/zinc/85/31/95/744853195.db2.gz MFVMSRSBRQDOFP-CJNGLKHVSA-N 1 2 326.462 0.804 20 30 ECEDLO C#CCC[N@H+]1C[C@@H](NC(=O)[C@]2(C)CCCS2(=O)=O)C(C)(C)C1 ZINC000977309778 744853199 /nfs/dbraw/zinc/85/31/99/744853199.db2.gz MFVMSRSBRQDOFP-CJNGLKHVSA-N 1 2 326.462 0.804 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001006906548 751964070 /nfs/dbraw/zinc/96/40/70/751964070.db2.gz UIGWIQODBYGMOS-YUTCNCBUSA-N 1 2 332.404 0.506 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001006906547 751964289 /nfs/dbraw/zinc/96/42/89/751964289.db2.gz UIGWIQODBYGMOS-BNOWGMLFSA-N 1 2 332.404 0.506 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001006910436 751966917 /nfs/dbraw/zinc/96/69/17/751966917.db2.gz SKMAVILLFISAIX-WQVCFCJDSA-N 1 2 346.431 0.897 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001006910436 751966923 /nfs/dbraw/zinc/96/69/23/751966923.db2.gz SKMAVILLFISAIX-WQVCFCJDSA-N 1 2 346.431 0.897 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+](Cc3cnnn3C)CC2(C)C)nc1 ZINC000977514311 745134711 /nfs/dbraw/zinc/13/47/11/745134711.db2.gz ORRIYQAJJCOTGL-INIZCTEOSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[N@H+](Cc3cnnn3C)CC2(C)C)nc1 ZINC000977514311 745134717 /nfs/dbraw/zinc/13/47/17/745134717.db2.gz ORRIYQAJJCOTGL-INIZCTEOSA-N 1 2 338.415 0.832 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001000001900 745165335 /nfs/dbraw/zinc/16/53/35/745165335.db2.gz BJWPDCSUBVSOID-ZIAGYGMSSA-N 1 2 338.371 0.364 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001006922262 751980099 /nfs/dbraw/zinc/98/00/99/751980099.db2.gz YGVHXENPISTEQC-JKSUJKDBSA-N 1 2 326.400 0.917 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001006922262 751980103 /nfs/dbraw/zinc/98/01/03/751980103.db2.gz YGVHXENPISTEQC-JKSUJKDBSA-N 1 2 326.400 0.917 20 30 ECEDLO CN(C[C@@H]1CCN1C(=O)Cc1[nH]cc[nH+]1)C(=O)c1ccc(C#N)[nH]1 ZINC000977610112 745265937 /nfs/dbraw/zinc/26/59/37/745265937.db2.gz ZGNSNWSYUBDCHO-LBPRGKRZSA-N 1 2 326.360 0.525 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)C(C)(C)C1 ZINC000977635464 745296988 /nfs/dbraw/zinc/29/69/88/745296988.db2.gz LTONEQMOGNVGDR-GFCCVEGCSA-N 1 2 326.828 0.917 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)C(C)(C)C1 ZINC000977635464 745296991 /nfs/dbraw/zinc/29/69/91/745296991.db2.gz LTONEQMOGNVGDR-GFCCVEGCSA-N 1 2 326.828 0.917 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3nonc3C)C(C)(C)C2)C1=O ZINC000977671774 745377714 /nfs/dbraw/zinc/37/77/14/745377714.db2.gz WCNQNAZQWSYNIV-STQMWFEESA-N 1 2 347.419 0.605 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3nonc3C)C(C)(C)C2)C1=O ZINC000977671774 745377720 /nfs/dbraw/zinc/37/77/20/745377720.db2.gz WCNQNAZQWSYNIV-STQMWFEESA-N 1 2 347.419 0.605 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001027550908 745386939 /nfs/dbraw/zinc/38/69/39/745386939.db2.gz FEJMSMAGVDWHDX-WDEREUQCSA-N 1 2 345.241 0.499 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001027550908 745386944 /nfs/dbraw/zinc/38/69/44/745386944.db2.gz FEJMSMAGVDWHDX-WDEREUQCSA-N 1 2 345.241 0.499 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cn1cc[nH+]c1 ZINC000977806855 745526894 /nfs/dbraw/zinc/52/68/94/745526894.db2.gz SHBSGFVQDUSBIC-VYDXJSESSA-N 1 2 346.431 0.924 20 30 ECEDLO CS(=O)(=O)CC[N@H+]1CC=C(CNC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001000589410 745621174 /nfs/dbraw/zinc/62/11/74/745621174.db2.gz YKPPUDHNKCPFCI-UHFFFAOYSA-N 1 2 336.417 0.293 20 30 ECEDLO CS(=O)(=O)CC[N@@H+]1CC=C(CNC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001000589410 745621177 /nfs/dbraw/zinc/62/11/77/745621177.db2.gz YKPPUDHNKCPFCI-UHFFFAOYSA-N 1 2 336.417 0.293 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3C[C@@H]3C)C2)nn1 ZINC001098700635 745639581 /nfs/dbraw/zinc/63/95/81/745639581.db2.gz QOAURRKILQOFCM-IMJJTQAJSA-N 1 2 331.420 0.447 20 30 ECEDLO CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000984037066 745724226 /nfs/dbraw/zinc/72/42/26/745724226.db2.gz FEBLXGAETXOKHQ-CQSZACIVSA-N 1 2 340.387 0.846 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3nnn(C)c3C)C2)C1=O ZINC001006993796 752031369 /nfs/dbraw/zinc/03/13/69/752031369.db2.gz JLEBKFNLUKEXBP-KGLIPLIRSA-N 1 2 346.435 0.105 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3nnn(C)c3C)C2)C1=O ZINC001006993796 752031376 /nfs/dbraw/zinc/03/13/76/752031376.db2.gz JLEBKFNLUKEXBP-KGLIPLIRSA-N 1 2 346.435 0.105 20 30 ECEDLO N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)cn1 ZINC001059335901 745991690 /nfs/dbraw/zinc/99/16/90/745991690.db2.gz FKEZZKVIBWZTPD-JHJVBQTASA-N 1 2 337.387 0.866 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)[C@H]1CC ZINC001087560058 746032517 /nfs/dbraw/zinc/03/25/17/746032517.db2.gz MNLAZLSMRAJSBU-GARJFASQSA-N 1 2 346.225 0.973 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)[C@H]1CC ZINC001087560058 746032520 /nfs/dbraw/zinc/03/25/20/746032520.db2.gz MNLAZLSMRAJSBU-GARJFASQSA-N 1 2 346.225 0.973 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCC(=O)NC2)s1 ZINC001038447363 746048988 /nfs/dbraw/zinc/04/89/88/746048988.db2.gz DMOGQGQYPQEUFF-VXGBXAGGSA-N 1 2 332.429 0.836 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCC(=O)NC2)s1 ZINC001038447363 746048995 /nfs/dbraw/zinc/04/89/95/746048995.db2.gz DMOGQGQYPQEUFF-VXGBXAGGSA-N 1 2 332.429 0.836 20 30 ECEDLO CC#CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CCCS2(=O)=O)[C@H]1CC ZINC001087672270 746170037 /nfs/dbraw/zinc/17/00/37/746170037.db2.gz 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/nfs/dbraw/zinc/17/10/13/752171013.db2.gz FQSRLWRGKCAOHO-HIFRSBDPSA-N 1 2 332.404 0.964 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3coc(C)n3)C2)C1=O ZINC001007186577 752171018 /nfs/dbraw/zinc/17/10/18/752171018.db2.gz FQSRLWRGKCAOHO-HIFRSBDPSA-N 1 2 332.404 0.964 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H](C)C(=O)NC)nc1 ZINC001029558659 747510448 /nfs/dbraw/zinc/51/04/48/747510448.db2.gz OYQMZJZOZCEQOD-YUELXQCFSA-N 1 2 326.400 0.486 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)C(=O)NC)nc1 ZINC001029558659 747510451 /nfs/dbraw/zinc/51/04/51/747510451.db2.gz OYQMZJZOZCEQOD-YUELXQCFSA-N 1 2 326.400 0.486 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CC#CC)nn2)C1 ZINC001105342768 747592105 /nfs/dbraw/zinc/59/21/05/747592105.db2.gz VQEPOEJWXDTMFI-IRXDYDNUSA-N 1 2 343.431 0.756 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](C)OCCC=C)C2)nn1 ZINC001098629658 747602975 /nfs/dbraw/zinc/60/29/75/747602975.db2.gz 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C=C[C@@](C)(O)CC(=O)N1CC[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001059554863 748313281 /nfs/dbraw/zinc/31/32/81/748313281.db2.gz JKCDWFJBYNLTES-SUMWQHHRSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001003533375 748653308 /nfs/dbraw/zinc/65/33/08/748653308.db2.gz VNVZLHCBZRSHST-JTQLQIEISA-N 1 2 331.214 0.157 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](C)OCC(C)C)C2)nn1 ZINC001098631006 748792019 /nfs/dbraw/zinc/79/20/19/748792019.db2.gz ZGEWFNWHYFBOGP-GDBMZVCRSA-N 1 2 333.436 0.835 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001003743493 748851669 /nfs/dbraw/zinc/85/16/69/748851669.db2.gz LSSAJGIHFLRADJ-SUJAAXHWSA-N 1 2 344.415 0.722 20 30 ECEDLO C#CC[NH2+][C@@H]1CCCCCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001088400595 749039599 /nfs/dbraw/zinc/03/95/99/749039599.db2.gz SZYNQDATVVYWQK-CYBMUJFWSA-N 1 2 342.403 0.065 20 30 ECEDLO CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)CCc2[nH]cc[nH+]2)n1 ZINC001105804415 761918813 /nfs/dbraw/zinc/91/88/13/761918813.db2.gz QXKOVVZMLYYGRY-GFCCVEGCSA-N 1 2 343.391 0.156 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccnn3C)CC2)CC1 ZINC000985826016 749184019 /nfs/dbraw/zinc/18/40/19/749184019.db2.gz PMFCZXFQRPBQMS-UHFFFAOYSA-N 1 2 346.435 0.102 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccsn3)CC2)CC1 ZINC000985829416 749195126 /nfs/dbraw/zinc/19/51/26/749195126.db2.gz HAQAMQPWHVVXPI-UHFFFAOYSA-N 1 2 349.460 0.825 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)Cc3cnoc3)CC2)CC1 ZINC000985830530 749198724 /nfs/dbraw/zinc/19/87/24/749198724.db2.gz RSZBDRZSCWZZCN-UHFFFAOYSA-N 1 2 347.419 0.285 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001013930821 761929033 /nfs/dbraw/zinc/92/90/33/761929033.db2.gz YFDJIDCBUQIAOT-ZYHUDNBSSA-N 1 2 326.360 0.571 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3ncnn3C)C2)nc1 ZINC001029889991 749447133 /nfs/dbraw/zinc/44/71/33/749447133.db2.gz VLKQFIPQAOYMQG-HNNXBMFYSA-N 1 2 338.415 0.786 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3ncnn3C)C2)nc1 ZINC001029889991 749447141 /nfs/dbraw/zinc/44/71/41/749447141.db2.gz VLKQFIPQAOYMQG-HNNXBMFYSA-N 1 2 338.415 0.786 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC000986081328 749491425 /nfs/dbraw/zinc/49/14/25/749491425.db2.gz ZLGIQXKUBPKCDN-CABCVRRESA-N 1 2 326.400 0.673 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000980474384 749624994 /nfs/dbraw/zinc/62/49/94/749624994.db2.gz SJXJDFBSRACWAB-CTYIDZIISA-N 1 2 337.383 0.653 20 30 ECEDLO CN1C(=O)CN(CC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)C1=O ZINC001004596993 749668297 /nfs/dbraw/zinc/66/82/97/749668297.db2.gz PPWBUVXBVLJUBS-AWEZNQCLSA-N 1 2 347.419 0.107 20 30 ECEDLO CN1C(=O)CN(CC(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)C1=O ZINC001004596993 749668299 /nfs/dbraw/zinc/66/82/99/749668299.db2.gz PPWBUVXBVLJUBS-AWEZNQCLSA-N 1 2 347.419 0.107 20 30 ECEDLO C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001004738375 749802065 /nfs/dbraw/zinc/80/20/65/749802065.db2.gz CNZWWJDXTZSJEE-IUODEOHRSA-N 1 2 340.387 0.750 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)Cc2ccsc2)C1 ZINC001149130090 750303554 /nfs/dbraw/zinc/30/35/54/750303554.db2.gz KMPFQJRGDISXJJ-HNNXBMFYSA-N 1 2 349.456 0.247 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)Cc2ccsc2)C1 ZINC001149130090 750303561 /nfs/dbraw/zinc/30/35/61/750303561.db2.gz KMPFQJRGDISXJJ-HNNXBMFYSA-N 1 2 349.456 0.247 20 30 ECEDLO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001058870707 750476180 /nfs/dbraw/zinc/47/61/80/750476180.db2.gz MCRMTIMQMJJWSS-ZIAGYGMSSA-N 1 2 348.447 0.673 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ncoc3C(C)C)C2)nn1 ZINC001105356374 750566696 /nfs/dbraw/zinc/56/66/96/750566696.db2.gz MUIKXKMGQLZAAI-UHFFFAOYSA-N 1 2 328.376 0.809 20 30 ECEDLO CC#CC[NH+]1CCC(N(C)C(=O)C[C@H]2CCCS2(=O)=O)CC1 ZINC001005765979 750610580 /nfs/dbraw/zinc/61/05/80/750610580.db2.gz NQRPHQWPMFBJDD-OAHLLOKOSA-N 1 2 326.462 0.900 20 30 ECEDLO C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC000981396617 750660703 /nfs/dbraw/zinc/66/07/03/750660703.db2.gz XDBFCEDILBHPMR-QWHCGFSZSA-N 1 2 344.419 0.664 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCC(=O)NCC)C2)nn1 ZINC001098640992 750933876 /nfs/dbraw/zinc/93/38/76/750933876.db2.gz PEBQRYWTAYLOSZ-HNNXBMFYSA-N 1 2 346.435 0.081 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001059829270 751151907 /nfs/dbraw/zinc/15/19/07/751151907.db2.gz NXEFHCRAPONMRM-OAHLLOKOSA-N 1 2 348.447 0.910 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)NC(C)=O ZINC001114982479 751195644 /nfs/dbraw/zinc/19/56/44/751195644.db2.gz PQGIWLWROAZPMK-GDNZZTSVSA-N 1 2 344.253 0.856 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)NC(C)=O ZINC001114982479 751195648 /nfs/dbraw/zinc/19/56/48/751195648.db2.gz PQGIWLWROAZPMK-GDNZZTSVSA-N 1 2 344.253 0.856 20 30 ECEDLO C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CN(C(=O)C#CC2CC2)C1 ZINC001006311098 751228849 /nfs/dbraw/zinc/22/88/49/751228849.db2.gz JEGYAEGOHAEJFW-UKRRQHHQSA-N 1 2 340.427 0.822 20 30 ECEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1OC ZINC001212022458 752416674 /nfs/dbraw/zinc/41/66/74/752416674.db2.gz RVIJSGJXIJOYAR-BFHYXJOUSA-N 1 2 330.450 0.203 20 30 ECEDLO C=CCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C[C@H]1OC ZINC001212022458 752416683 /nfs/dbraw/zinc/41/66/83/752416683.db2.gz RVIJSGJXIJOYAR-BFHYXJOUSA-N 1 2 330.450 0.203 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCCC(C)(C)C)[C@H](OC)C1 ZINC001212028327 752421685 /nfs/dbraw/zinc/42/16/85/752421685.db2.gz OPKBKCVGUQYDSE-HUUCEWRRSA-N 1 2 337.464 0.768 20 30 ECEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCCC(C)(C)C)[C@H](OC)C1 ZINC001212028327 752421689 /nfs/dbraw/zinc/42/16/89/752421689.db2.gz OPKBKCVGUQYDSE-HUUCEWRRSA-N 1 2 337.464 0.768 20 30 ECEDLO CO[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212039848 752433147 /nfs/dbraw/zinc/43/31/47/752433147.db2.gz VHRMJBOIEHSCAX-BPLDGKMQSA-N 1 2 331.420 0.623 20 30 ECEDLO CO[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212039848 752433148 /nfs/dbraw/zinc/43/31/48/752433148.db2.gz VHRMJBOIEHSCAX-BPLDGKMQSA-N 1 2 331.420 0.623 20 30 ECEDLO COCCN(CCNC(=O)Cn1cc[nH+]c1)c1nc(C)cc(C#N)n1 ZINC001126360467 752435559 /nfs/dbraw/zinc/43/55/59/752435559.db2.gz JDRIMGRYKHGFDT-UHFFFAOYSA-N 1 2 343.391 0.122 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2n[nH]c(C)c2C)[C@H](OC)C1 ZINC001212043570 752436349 /nfs/dbraw/zinc/43/63/49/752436349.db2.gz OHDRSOJZPRKDAB-MGPQQGTHSA-N 1 2 349.435 0.146 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2n[nH]c(C)c2C)[C@H](OC)C1 ZINC001212043570 752436353 /nfs/dbraw/zinc/43/63/53/752436353.db2.gz OHDRSOJZPRKDAB-MGPQQGTHSA-N 1 2 349.435 0.146 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C#N)[C@H](OC)C1 ZINC001212045164 752438552 /nfs/dbraw/zinc/43/85/52/752438552.db2.gz HYZWHEDSIXOVKH-RRFJBIMHSA-N 1 2 334.420 0.162 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)C#N)[C@H](OC)C1 ZINC001212045164 752438554 /nfs/dbraw/zinc/43/85/54/752438554.db2.gz HYZWHEDSIXOVKH-RRFJBIMHSA-N 1 2 334.420 0.162 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccccc3C#C)C2)nn1 ZINC001105366256 752461764 /nfs/dbraw/zinc/46/17/64/752461764.db2.gz FCRGUGJFRKEPHU-UHFFFAOYSA-N 1 2 333.395 0.608 20 30 ECEDLO CCn1ncc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)n1 ZINC001083445790 752477979 /nfs/dbraw/zinc/47/79/79/752477979.db2.gz SDWDXCAWERUPQH-CVEARBPZSA-N 1 2 340.387 0.145 20 30 ECEDLO CCn1ncc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)n1 ZINC001083445790 752477985 /nfs/dbraw/zinc/47/79/85/752477985.db2.gz SDWDXCAWERUPQH-CVEARBPZSA-N 1 2 340.387 0.145 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)COC)[C@H](OC)C1 ZINC001211752870 752493388 /nfs/dbraw/zinc/49/33/88/752493388.db2.gz ZSRLOWPNUWDFKW-RRFJBIMHSA-N 1 2 341.452 0.261 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)COC)[C@H](OC)C1 ZINC001211752870 752493391 /nfs/dbraw/zinc/49/33/91/752493391.db2.gz ZSRLOWPNUWDFKW-RRFJBIMHSA-N 1 2 341.452 0.261 20 30 ECEDLO COCc1noc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000988657453 752494162 /nfs/dbraw/zinc/49/41/62/752494162.db2.gz UILKQUNQXYPQPB-PWSUYJOCSA-N 1 2 344.375 0.809 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccncc2)[C@H](OC)C1 ZINC001211764252 752661814 /nfs/dbraw/zinc/66/18/14/752661814.db2.gz DVOSUVQJSKUSNU-BPLDGKMQSA-N 1 2 332.404 0.201 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccncc2)[C@H](OC)C1 ZINC001211764252 752661816 /nfs/dbraw/zinc/66/18/16/752661816.db2.gz DVOSUVQJSKUSNU-BPLDGKMQSA-N 1 2 332.404 0.201 20 30 ECEDLO C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001075921495 752730003 /nfs/dbraw/zinc/73/00/03/752730003.db2.gz ZKVMFEOOWALSBN-WMLDXEAASA-N 1 2 348.447 0.898 20 30 ECEDLO N#Cc1cnccc1N[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001058995712 752808744 /nfs/dbraw/zinc/80/87/44/752808744.db2.gz SWYLBZZKQAHQSR-ZFWWWQNUSA-N 1 2 336.399 0.847 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ccncc3F)C2)nn1 ZINC001098645853 752822515 /nfs/dbraw/zinc/82/25/15/752822515.db2.gz XEMZSHGJFQWRGX-ZDUSSCGKSA-N 1 2 328.351 0.622 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](O)C2)C1 ZINC000991616945 762175636 /nfs/dbraw/zinc/17/56/36/762175636.db2.gz VDBNPNKATRYFPB-GJZGRUSLSA-N 1 2 346.431 0.397 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3n[nH]c4ccccc43)C2)nn1 ZINC001105369890 753051591 /nfs/dbraw/zinc/05/15/91/753051591.db2.gz PJOPXSFPFFHTIY-UHFFFAOYSA-N 1 2 335.371 0.574 20 30 ECEDLO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@]3(C)CCCS3(=O)=O)C[C@@]2(C)C1 ZINC000982642155 753185375 /nfs/dbraw/zinc/18/53/75/753185375.db2.gz QBKZSCFZABJUJL-IXDOHACOSA-N 1 2 338.473 0.757 20 30 ECEDLO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@]3(C)CCCS3(=O)=O)C[C@@]2(C)C1 ZINC000982642155 753185378 /nfs/dbraw/zinc/18/53/78/753185378.db2.gz QBKZSCFZABJUJL-IXDOHACOSA-N 1 2 338.473 0.757 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)c[nH]1 ZINC000982693625 753324847 /nfs/dbraw/zinc/32/48/47/753324847.db2.gz SXSMRNBSYFPTQX-GFCCVEGCSA-N 1 2 340.387 0.821 20 30 ECEDLO C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2snnc2C)[C@H](OC)C1 ZINC001211831040 753475873 /nfs/dbraw/zinc/47/58/73/753475873.db2.gz KNNTYTKQJCLJEP-VXGBXAGGSA-N 1 2 326.422 0.478 20 30 ECEDLO C=CCOCC[N@H+]1C[C@@H](NC(=O)c2snnc2C)[C@H](OC)C1 ZINC001211831040 753475876 /nfs/dbraw/zinc/47/58/76/753475876.db2.gz KNNTYTKQJCLJEP-VXGBXAGGSA-N 1 2 326.422 0.478 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3(COC)CCCC3)C2)nn1 ZINC001098681819 753650474 /nfs/dbraw/zinc/65/04/74/753650474.db2.gz XGKKNHCMOQUMBM-MRXNPFEDSA-N 1 2 345.447 0.981 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)COCc3ccccc3)C2)nn1 ZINC001105372487 753670977 /nfs/dbraw/zinc/67/09/77/753670977.db2.gz JRDQDGADDCXRRY-UHFFFAOYSA-N 1 2 339.399 0.601 20 30 ECEDLO Cc1nn(C)cc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083373359 753715775 /nfs/dbraw/zinc/71/57/75/753715775.db2.gz AVSJSTHPEGEDRF-SJORKVTESA-N 1 2 339.399 0.575 20 30 ECEDLO Cc1nn(C)cc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083373359 753715776 /nfs/dbraw/zinc/71/57/76/753715776.db2.gz AVSJSTHPEGEDRF-SJORKVTESA-N 1 2 339.399 0.575 20 30 ECEDLO Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)o1 ZINC001083392381 753793922 /nfs/dbraw/zinc/79/39/22/753793922.db2.gz FFLPKAYWHATHEW-KGLIPLIRSA-N 1 2 329.360 0.466 20 30 ECEDLO Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)o1 ZINC001083392381 753793928 /nfs/dbraw/zinc/79/39/28/753793928.db2.gz FFLPKAYWHATHEW-KGLIPLIRSA-N 1 2 329.360 0.466 20 30 ECEDLO CCc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)o1 ZINC001083392613 753794886 /nfs/dbraw/zinc/79/48/86/753794886.db2.gz RAZUTLHHVBHVRJ-KGLIPLIRSA-N 1 2 343.387 0.720 20 30 ECEDLO CCc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)o1 ZINC001083392613 753794892 /nfs/dbraw/zinc/79/48/92/753794892.db2.gz RAZUTLHHVBHVRJ-KGLIPLIRSA-N 1 2 343.387 0.720 20 30 ECEDLO C#CCC[N@H+]1CCCN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000989430523 753898319 /nfs/dbraw/zinc/89/83/19/753898319.db2.gz FVHYBCMVLBJJKG-HNNXBMFYSA-N 1 2 326.462 0.759 20 30 ECEDLO C#CCC[N@@H+]1CCCN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000989430523 753898324 /nfs/dbraw/zinc/89/83/24/753898324.db2.gz FVHYBCMVLBJJKG-HNNXBMFYSA-N 1 2 326.462 0.759 20 30 ECEDLO C[C@@H](CCNC(=O)CSCC#N)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001075678033 754015504 /nfs/dbraw/zinc/01/55/04/754015504.db2.gz JMPCETCIXQDXDH-QWHCGFSZSA-N 1 2 349.460 0.713 20 30 ECEDLO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001008893664 754273030 /nfs/dbraw/zinc/27/30/30/754273030.db2.gz UMXPXLSYAOFQRP-ZDUSSCGKSA-N 1 2 344.419 0.618 20 30 ECEDLO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001008893664 754273032 /nfs/dbraw/zinc/27/30/32/754273032.db2.gz UMXPXLSYAOFQRP-ZDUSSCGKSA-N 1 2 344.419 0.618 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cn(CC)nn3)C2)C1=O ZINC001009025561 754448158 /nfs/dbraw/zinc/44/81/58/754448158.db2.gz YDHRISHVIBEHOF-DZGCQCFKSA-N 1 2 346.435 0.279 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cn(CC)nn3)C2)C1=O ZINC001009025561 754448160 /nfs/dbraw/zinc/44/81/60/754448160.db2.gz YDHRISHVIBEHOF-DZGCQCFKSA-N 1 2 346.435 0.279 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000983064190 754535411 /nfs/dbraw/zinc/53/54/11/754535411.db2.gz CYSKOHFSCOHTIH-LBPRGKRZSA-N 1 2 340.387 0.739 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](Nc2cnc(C#N)cn2)C1 ZINC001059088096 754594776 /nfs/dbraw/zinc/59/47/76/754594776.db2.gz OAQLVTFNAFUIEY-NEPJUHHUSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](Nc2cnc(C#N)cn2)C1 ZINC001059088096 754594777 /nfs/dbraw/zinc/59/47/77/754594777.db2.gz OAQLVTFNAFUIEY-NEPJUHHUSA-N 1 2 325.376 0.963 20 30 ECEDLO Cc1noc([C@@H](C)[NH2+]C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)n1 ZINC001051556181 762331910 /nfs/dbraw/zinc/33/19/10/762331910.db2.gz SBNKFOAKJHMYDZ-MFKMUULPSA-N 1 2 344.375 0.770 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC000983183510 754807010 /nfs/dbraw/zinc/80/70/10/754807010.db2.gz JBZWIIOWBBJSAK-LBPRGKRZSA-N 1 2 343.391 0.008 20 30 ECEDLO Cn1ncc(C[N@@H+]2CC[C@]3(NC(=O)c4ccc(C#N)[nH]4)CCC[C@H]23)n1 ZINC000990249597 754876442 /nfs/dbraw/zinc/87/64/42/754876442.db2.gz FQBSUBWQEGUVHN-DOTOQJQBSA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1ncc(C[N@H+]2CC[C@]3(NC(=O)c4ccc(C#N)[nH]4)CCC[C@H]23)n1 ZINC000990249597 754876444 /nfs/dbraw/zinc/87/64/44/754876444.db2.gz FQBSUBWQEGUVHN-DOTOQJQBSA-N 1 2 339.403 0.942 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2nc(N(C)C)no2)C1 ZINC001028809049 755198176 /nfs/dbraw/zinc/19/81/76/755198176.db2.gz JXJVPOQFEDXWDE-MCIONIFRSA-N 1 2 349.435 0.665 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2nc(N(C)C)no2)C1 ZINC001028809049 755198178 /nfs/dbraw/zinc/19/81/78/755198178.db2.gz JXJVPOQFEDXWDE-MCIONIFRSA-N 1 2 349.435 0.665 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+]([C@H](C)c3nnc(C)[nH]3)C2)nn1 ZINC001028850966 755307408 /nfs/dbraw/zinc/30/74/08/755307408.db2.gz CLPPILPJQKOSCP-DGCLKSJQSA-N 1 2 344.423 0.704 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+]([C@H](C)c3nnc(C)[nH]3)C2)nn1 ZINC001028850966 755307413 /nfs/dbraw/zinc/30/74/13/755307413.db2.gz CLPPILPJQKOSCP-DGCLKSJQSA-N 1 2 344.423 0.704 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ncnn3CC)C2)nn1 ZINC001028852719 755310798 /nfs/dbraw/zinc/31/07/98/755310798.db2.gz MWTHRZFWDFHXMV-ZDUSSCGKSA-N 1 2 344.423 0.327 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3ncnn3CC)C2)nn1 ZINC001028852719 755310802 /nfs/dbraw/zinc/31/08/02/755310802.db2.gz MWTHRZFWDFHXMV-ZDUSSCGKSA-N 1 2 344.423 0.327 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001028875600 755363076 /nfs/dbraw/zinc/36/30/76/755363076.db2.gz IQBZQABXQGTWTM-CYBMUJFWSA-N 1 2 340.387 0.937 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001028875600 755363079 /nfs/dbraw/zinc/36/30/79/755363079.db2.gz IQBZQABXQGTWTM-CYBMUJFWSA-N 1 2 340.387 0.937 20 30 ECEDLO C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001040282521 755608632 /nfs/dbraw/zinc/60/86/32/755608632.db2.gz IUSXHOQICFQEIM-NVXWUHKLSA-N 1 2 338.473 0.759 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001040282521 755608635 /nfs/dbraw/zinc/60/86/35/755608635.db2.gz IUSXHOQICFQEIM-NVXWUHKLSA-N 1 2 338.473 0.759 20 30 ECEDLO C[C@H]1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cn1cc[nH+]c1 ZINC001010206646 755811659 /nfs/dbraw/zinc/81/16/59/755811659.db2.gz MWMSGHIHRDNHTH-JSGCOSHPSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001010456851 756150981 /nfs/dbraw/zinc/15/09/81/756150981.db2.gz JARXTAAVVPXOSC-UKRRQHHQSA-N 1 2 343.431 0.949 20 30 ECEDLO C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001010456851 756150984 /nfs/dbraw/zinc/15/09/84/756150984.db2.gz JARXTAAVVPXOSC-UKRRQHHQSA-N 1 2 343.431 0.949 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC3OCCCO3)C2)nn1 ZINC001098662252 756197300 /nfs/dbraw/zinc/19/73/00/756197300.db2.gz ZRUULEAPWLCQSR-HNNXBMFYSA-N 1 2 347.419 0.318 20 30 ECEDLO Cc1ncn(C)c1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001083544396 756243898 /nfs/dbraw/zinc/24/38/98/756243898.db2.gz VTHITXJVGIIGHE-KGLIPLIRSA-N 1 2 345.428 0.637 20 30 ECEDLO Cc1ncn(C)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001083544396 756243901 /nfs/dbraw/zinc/24/39/01/756243901.db2.gz VTHITXJVGIIGHE-KGLIPLIRSA-N 1 2 345.428 0.637 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010695030 756409068 /nfs/dbraw/zinc/40/90/68/756409068.db2.gz PSCLHODIAVMQFS-DOTOQJQBSA-N 1 2 346.406 0.718 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010695030 756409072 /nfs/dbraw/zinc/40/90/72/756409072.db2.gz PSCLHODIAVMQFS-DOTOQJQBSA-N 1 2 346.406 0.718 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C(C)(C)C3CCC3)[C@@H](O)C2)C1=O ZINC001083676112 762466283 /nfs/dbraw/zinc/46/62/83/762466283.db2.gz JXYNFOQINSOBCX-OAGGEKHMSA-N 1 2 349.475 0.761 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C(C)(C)C3CCC3)[C@@H](O)C2)C1=O ZINC001083676112 762466287 /nfs/dbraw/zinc/46/62/87/762466287.db2.gz JXYNFOQINSOBCX-OAGGEKHMSA-N 1 2 349.475 0.761 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCc3ncc[nH]3)C2)nn1 ZINC001098663401 756567683 /nfs/dbraw/zinc/56/76/83/756567683.db2.gz FEZAOOZUKLUSHT-CQSZACIVSA-N 1 2 327.392 0.130 20 30 ECEDLO CC(C)(C(=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1)c1c[nH+]c[nH]1 ZINC001011017633 756771462 /nfs/dbraw/zinc/77/14/62/756771462.db2.gz DZRPGEDQXSNJKU-UHFFFAOYSA-N 1 2 340.387 0.872 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3CC(OCC)C3)C2)nn1 ZINC001098666537 756924953 /nfs/dbraw/zinc/92/49/53/756924953.db2.gz ACHOEOJWOARYDQ-ARWYELJZSA-N 1 2 345.447 0.980 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1c1cnc(C#N)cn1 ZINC001048797004 757030346 /nfs/dbraw/zinc/03/03/46/757030346.db2.gz HYTUGIPHLYPAMC-QWHCGFSZSA-N 1 2 325.376 0.788 20 30 ECEDLO C=CCOCC(=O)NCc1cn(C2C[NH+](C[C@@H]3CC[C@H](C)O3)C2)nn1 ZINC001107147433 757046576 /nfs/dbraw/zinc/04/65/76/757046576.db2.gz ZUTZOLRVQPDEPN-BBRMVZONSA-N 1 2 349.435 0.521 20 30 ECEDLO CCc1nnc(C[N@H+]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)n1C ZINC001048810117 757068408 /nfs/dbraw/zinc/06/84/08/757068408.db2.gz FOLSHTNBFZSUOE-GASCZTMLSA-N 1 2 327.432 0.681 20 30 ECEDLO CCc1nnc(C[N@@H+]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)n1C ZINC001048810117 757068415 /nfs/dbraw/zinc/06/84/15/757068415.db2.gz FOLSHTNBFZSUOE-GASCZTMLSA-N 1 2 327.432 0.681 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)n3cccc3)nn2)C1 ZINC001107159179 757131961 /nfs/dbraw/zinc/13/19/61/757131961.db2.gz MNBSKEPKAXGHFT-AWEZNQCLSA-N 1 2 326.404 0.837 20 30 ECEDLO CN(C(=O)C#CC(C)(C)C)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1O ZINC001048832281 757135409 /nfs/dbraw/zinc/13/54/09/757135409.db2.gz IVSXWZJUKMIWJF-GJZGRUSLSA-N 1 2 346.431 0.042 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)Cn3cccc(C)c3=O)nn2)C1 ZINC001107170993 757215921 /nfs/dbraw/zinc/21/59/21/757215921.db2.gz HOTWOJYEIYUALL-UHFFFAOYSA-N 1 2 342.403 0.107 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCNC(=O)[C@@H]3C[C@@H]3C)nn2)C1 ZINC001107176974 757259132 /nfs/dbraw/zinc/25/91/32/757259132.db2.gz VVTDNSCLCQMZBX-SWLSCSKDSA-N 1 2 346.435 0.099 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)cn1 ZINC001076854551 757395533 /nfs/dbraw/zinc/39/55/33/757395533.db2.gz MKVHVFCTQOWXQV-HUUCEWRRSA-N 1 2 341.371 0.265 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)cn1 ZINC001076854551 757395545 /nfs/dbraw/zinc/39/55/45/757395545.db2.gz MKVHVFCTQOWXQV-HUUCEWRRSA-N 1 2 341.371 0.265 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)COCc3ncc(C)o3)nn2)C1 ZINC001107184282 757415597 /nfs/dbraw/zinc/41/55/97/757415597.db2.gz HOJPFOIDGDGDTL-UHFFFAOYSA-N 1 2 346.391 0.450 20 30 ECEDLO Cc1cc(CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)n[nH]1 ZINC001076870107 757423550 /nfs/dbraw/zinc/42/35/50/757423550.db2.gz JRRAMPYCSAVMDD-IAGOWNOFSA-N 1 2 339.399 0.494 20 30 ECEDLO Cc1cc(CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)n[nH]1 ZINC001076870107 757423561 /nfs/dbraw/zinc/42/35/61/757423561.db2.gz JRRAMPYCSAVMDD-IAGOWNOFSA-N 1 2 339.399 0.494 20 30 ECEDLO C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1O ZINC001048937379 757463844 /nfs/dbraw/zinc/46/38/44/757463844.db2.gz IKABRARZDUUDTM-HOTGVXAUSA-N 1 2 348.447 0.739 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)[nH]1 ZINC001076898756 757518248 /nfs/dbraw/zinc/51/82/48/757518248.db2.gz YXPOEPXHKUSFKR-QZTJIDSGSA-N 1 2 334.379 0.713 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)[nH]1 ZINC001076898756 757518253 /nfs/dbraw/zinc/51/82/53/757518253.db2.gz YXPOEPXHKUSFKR-QZTJIDSGSA-N 1 2 334.379 0.713 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)C[C@H]3C[C@H]3C)nn2)C1 ZINC001107205482 757660369 /nfs/dbraw/zinc/66/03/69/757660369.db2.gz XPISLJWQZHOCHE-ZIAGYGMSSA-N 1 2 333.436 1.000 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)Cc3occc3C)nn2)C1 ZINC001107209010 757683096 /nfs/dbraw/zinc/68/30/96/757683096.db2.gz CIMBNLHKCLNILP-UHFFFAOYSA-N 1 2 327.388 0.918 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCc3cc(C)on3)nn2)C1 ZINC001107207689 757737779 /nfs/dbraw/zinc/73/77/79/757737779.db2.gz BNPHGHAPLYLVFE-UHFFFAOYSA-N 1 2 330.392 0.866 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4nc(C)no4)C[C@@H]3C2)nn1 ZINC001049103527 757966442 /nfs/dbraw/zinc/96/64/42/757966442.db2.gz OGOHLIQCDDMJQN-BETUJISGSA-N 1 2 343.391 0.360 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4nc(C)no4)C[C@@H]3C2)nn1 ZINC001049103527 757966449 /nfs/dbraw/zinc/96/64/49/757966449.db2.gz OGOHLIQCDDMJQN-BETUJISGSA-N 1 2 343.391 0.360 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)COc3ccsc3)nn2)C1 ZINC001107229896 757993145 /nfs/dbraw/zinc/99/31/45/757993145.db2.gz VNGJZHXDGGDICT-UHFFFAOYSA-N 1 2 345.428 0.915 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CNC(=O)CC(C)(C)C)nn2)C1 ZINC001107235732 758023395 /nfs/dbraw/zinc/02/33/95/758023395.db2.gz KSZJAPGLYRBVGB-UHFFFAOYSA-N 1 2 348.451 0.489 20 30 ECEDLO C=C[C@H](C(=O)NCc1cn(C2C[NH+](CCO)C2)nn1)c1ccccc1 ZINC001107238462 758031760 /nfs/dbraw/zinc/03/17/60/758031760.db2.gz YFWVJYBPYXQYLI-KRWDZBQOSA-N 1 2 341.415 0.713 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001077133278 758301058 /nfs/dbraw/zinc/30/10/58/758301058.db2.gz JHDJUUQESORCAQ-GDBMZVCRSA-N 1 2 329.404 0.383 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001077133278 758301069 /nfs/dbraw/zinc/30/10/69/758301069.db2.gz JHDJUUQESORCAQ-GDBMZVCRSA-N 1 2 329.404 0.383 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccccc2F)C[C@H]1O ZINC001077158693 758373864 /nfs/dbraw/zinc/37/38/64/758373864.db2.gz SCOKSVMTJORIQV-FGTMMUONSA-N 1 2 345.418 0.585 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccccc2F)C[C@H]1O ZINC001077158693 758373876 /nfs/dbraw/zinc/37/38/76/758373876.db2.gz SCOKSVMTJORIQV-FGTMMUONSA-N 1 2 345.418 0.585 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnc(C)s2)C[C@H]1O ZINC001077158381 758374037 /nfs/dbraw/zinc/37/40/37/758374037.db2.gz BTJIYELRCGUBFF-OWCLPIDISA-N 1 2 348.472 0.210 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnc(C)s2)C[C@H]1O ZINC001077158381 758374045 /nfs/dbraw/zinc/37/40/45/758374045.db2.gz BTJIYELRCGUBFF-OWCLPIDISA-N 1 2 348.472 0.210 20 30 ECEDLO CC#CCCCC(=O)N(C)[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1O ZINC001049245565 758422800 /nfs/dbraw/zinc/42/28/00/758422800.db2.gz BGIPUSKTDJINEB-GJZGRUSLSA-N 1 2 346.431 0.566 20 30 ECEDLO C#CCC1(C(=O)N[C@@H](C)CCNC(=O)Cn2cc[nH+]c2)CCOCC1 ZINC001077184337 758441351 /nfs/dbraw/zinc/44/13/51/758441351.db2.gz AEMZAQARODXXGW-HNNXBMFYSA-N 1 2 346.431 0.714 20 30 ECEDLO N#Cc1nccnc1NC/C=C\CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001107393423 758450549 /nfs/dbraw/zinc/45/05/49/758450549.db2.gz CONANVADVCAWFC-FYDYADQUSA-N 1 2 337.387 0.892 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N(C)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1O ZINC001049276325 758466513 /nfs/dbraw/zinc/46/65/13/758466513.db2.gz QJISJHIJRDLXFN-BPUTZDHNSA-N 1 2 348.447 0.595 20 30 ECEDLO C=CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@@H]1O ZINC001049361238 758567638 /nfs/dbraw/zinc/56/76/38/758567638.db2.gz UGEWSPDRLONMRZ-KBMXLJTQSA-N 1 2 348.447 0.975 20 30 ECEDLO C=CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001049361238 758567642 /nfs/dbraw/zinc/56/76/42/758567642.db2.gz UGEWSPDRLONMRZ-KBMXLJTQSA-N 1 2 348.447 0.975 20 30 ECEDLO Cn1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)c2cc(C#N)c[nH]2)nn1 ZINC001049400111 758633137 /nfs/dbraw/zinc/63/31/37/758633137.db2.gz DNAODLUYEMLRPO-HOTGVXAUSA-N 1 2 339.403 0.894 20 30 ECEDLO Cn1cc(C[N@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)c2cc(C#N)c[nH]2)nn1 ZINC001049400111 758633140 /nfs/dbraw/zinc/63/31/40/758633140.db2.gz DNAODLUYEMLRPO-HOTGVXAUSA-N 1 2 339.403 0.894 20 30 ECEDLO Cn1cncc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077318618 758785987 /nfs/dbraw/zinc/78/59/87/758785987.db2.gz FDPJFRZJDJOZNY-GDBMZVCRSA-N 1 2 325.372 0.267 20 30 ECEDLO Cn1cncc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077318618 758785992 /nfs/dbraw/zinc/78/59/92/758785992.db2.gz FDPJFRZJDJOZNY-GDBMZVCRSA-N 1 2 325.372 0.267 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001011915983 758940936 /nfs/dbraw/zinc/94/09/36/758940936.db2.gz YLTSBXYXWXGYOK-NHYWBVRUSA-N 1 2 340.387 0.582 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001031089168 767851487 /nfs/dbraw/zinc/85/14/87/767851487.db2.gz WTSHMPWYRBAQGN-JYJNAYRXSA-N 1 2 334.420 0.026 20 30 ECEDLO C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001047633916 759356979 /nfs/dbraw/zinc/35/69/79/759356979.db2.gz RLNAEYDMJOOGHZ-MELADBBJSA-N 1 2 330.450 0.033 20 30 ECEDLO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001047633916 759356989 /nfs/dbraw/zinc/35/69/89/759356989.db2.gz RLNAEYDMJOOGHZ-MELADBBJSA-N 1 2 330.450 0.033 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C)OCCc3ccccc32)C1 ZINC001047648284 759405693 /nfs/dbraw/zinc/40/56/93/759405693.db2.gz WZUPJUUJSJJZFW-LNLFQRSKSA-N 1 2 328.412 0.611 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(C)OCCc3ccccc32)C1 ZINC001047648284 759405699 /nfs/dbraw/zinc/40/56/99/759405699.db2.gz WZUPJUUJSJJZFW-LNLFQRSKSA-N 1 2 328.412 0.611 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C)nc1 ZINC001012102715 759413678 /nfs/dbraw/zinc/41/36/78/759413678.db2.gz RINCREJGXVSWGC-IUODEOHRSA-N 1 2 337.383 0.748 20 30 ECEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)cc2C1 ZINC001054281124 767892444 /nfs/dbraw/zinc/89/24/44/767892444.db2.gz CELPGHJRPPBOTN-JKSUJKDBSA-N 1 2 327.384 0.285 20 30 ECEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)cc2C1 ZINC001054281124 767892450 /nfs/dbraw/zinc/89/24/50/767892450.db2.gz CELPGHJRPPBOTN-JKSUJKDBSA-N 1 2 327.384 0.285 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001012539589 760234090 /nfs/dbraw/zinc/23/40/90/760234090.db2.gz TYZVTRBWUWKKOY-AAEUAGOBSA-N 1 2 340.387 0.961 20 30 ECEDLO Cn1ncnc1C[NH+]1CCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)CC1 ZINC001050477643 760331958 /nfs/dbraw/zinc/33/19/58/760331958.db2.gz YOLBCSKFUOXKKJ-UHFFFAOYSA-N 1 2 339.403 0.753 20 30 ECEDLO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(CN3CCCC3)on2)[C@@H](O)C1 ZINC001083782626 760469480 /nfs/dbraw/zinc/46/94/80/760469480.db2.gz DVMBUNBXYJTNKP-CVEARBPZSA-N 1 2 332.404 0.069 20 30 ECEDLO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(CN3CCCC3)on2)[C@@H](O)C1 ZINC001083782626 760469487 /nfs/dbraw/zinc/46/94/87/760469487.db2.gz DVMBUNBXYJTNKP-CVEARBPZSA-N 1 2 332.404 0.069 20 30 ECEDLO C=CCOCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001050571782 760512912 /nfs/dbraw/zinc/51/29/12/760512912.db2.gz GMNKUMIOFIABIR-UONOGXRCSA-N 1 2 334.420 0.898 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CC[C@H]3CCCO3)nn2)C1 ZINC001107129039 760519029 /nfs/dbraw/zinc/51/90/29/760519029.db2.gz CNKJLMHYEZPFCU-MRXNPFEDSA-N 1 2 331.420 0.734 20 30 ECEDLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CNc1nccnc1C#N ZINC001054420509 767968832 /nfs/dbraw/zinc/96/88/32/767968832.db2.gz VVPMGQAHJKVWBH-CHWSQXEVSA-N 1 2 325.376 0.751 20 30 ECEDLO N#CCSCC(=O)NCC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001060233433 760755147 /nfs/dbraw/zinc/75/51/47/760755147.db2.gz VEFLIVUZNGHXLD-GFCCVEGCSA-N 1 2 335.433 0.564 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C3(C4CC4)CCC3)[C@@H](O)C2)C1=O ZINC001083674774 761020882 /nfs/dbraw/zinc/02/08/82/761020882.db2.gz UMBHFFNLRNTKCZ-PMPSAXMXSA-N 1 2 347.459 0.515 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C3(C4CC4)CCC3)[C@@H](O)C2)C1=O ZINC001083674774 761020894 /nfs/dbraw/zinc/02/08/94/761020894.db2.gz UMBHFFNLRNTKCZ-PMPSAXMXSA-N 1 2 347.459 0.515 20 30 ECEDLO CCCCn1nnnc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C1 ZINC001048724701 761047941 /nfs/dbraw/zinc/04/79/41/761047941.db2.gz DPOTVTZPJBNFRZ-MELADBBJSA-N 1 2 331.424 0.523 20 30 ECEDLO CCCCn1nnnc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C1 ZINC001048724701 761047950 /nfs/dbraw/zinc/04/79/50/761047950.db2.gz DPOTVTZPJBNFRZ-MELADBBJSA-N 1 2 331.424 0.523 20 30 ECEDLO Cc1cc(NC(=O)C[N@@H+]2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)no1 ZINC001048726310 761051985 /nfs/dbraw/zinc/05/19/85/761051985.db2.gz BRPZKSMGXAUXEW-WCFLWFBJSA-N 1 2 331.376 0.471 20 30 ECEDLO Cc1cc(NC(=O)C[N@H+]2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)no1 ZINC001048726310 761051994 /nfs/dbraw/zinc/05/19/94/761051994.db2.gz BRPZKSMGXAUXEW-WCFLWFBJSA-N 1 2 331.376 0.471 20 30 ECEDLO CC(C)c1nnc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)n1C ZINC001048727287 761052637 /nfs/dbraw/zinc/05/26/37/761052637.db2.gz JIHJNNSAAQUAAS-MELADBBJSA-N 1 2 330.436 0.988 20 30 ECEDLO CC(C)c1nnc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)n1C ZINC001048727287 761052645 /nfs/dbraw/zinc/05/26/45/761052645.db2.gz JIHJNNSAAQUAAS-MELADBBJSA-N 1 2 330.436 0.988 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1nn2c(c1C)OCCC2 ZINC001050947440 761193884 /nfs/dbraw/zinc/19/38/84/761193884.db2.gz WLIZGOLEMWBVFD-AWEZNQCLSA-N 1 2 334.420 0.981 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1nn2c(c1C)OCCC2 ZINC001050947440 761193891 /nfs/dbraw/zinc/19/38/91/761193891.db2.gz WLIZGOLEMWBVFD-AWEZNQCLSA-N 1 2 334.420 0.981 20 30 ECEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)c3cnn(C)n3)CC2)C1 ZINC001105726439 761347335 /nfs/dbraw/zinc/34/73/35/761347335.db2.gz KXUWQKLPCPTTAD-UHFFFAOYSA-N 1 2 349.435 0.323 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccn2nnnc2c1 ZINC001051059198 761413604 /nfs/dbraw/zinc/41/36/04/761413604.db2.gz FBAQSQCCTMHETG-CQSZACIVSA-N 1 2 330.392 0.521 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccn2nnnc2c1 ZINC001051059198 761413606 /nfs/dbraw/zinc/41/36/06/761413606.db2.gz FBAQSQCCTMHETG-CQSZACIVSA-N 1 2 330.392 0.521 20 30 ECEDLO C#CCN1CCOC[C@@H]1CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001051075353 761444045 /nfs/dbraw/zinc/44/40/45/761444045.db2.gz KEHIPPRRYSXMGB-DLBZAZTESA-N 1 2 335.448 0.080 20 30 ECEDLO C#CCN1CCOC[C@@H]1CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001051075353 761444049 /nfs/dbraw/zinc/44/40/49/761444049.db2.gz KEHIPPRRYSXMGB-DLBZAZTESA-N 1 2 335.448 0.080 20 30 ECEDLO CN1CCC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2c[nH]c(C#N)c2)C1=O ZINC001017489762 768054013 /nfs/dbraw/zinc/05/40/13/768054013.db2.gz CISNGJUDYVKPHK-OWCLPIDISA-N 1 2 341.415 0.796 20 30 ECEDLO CN1CCC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2c[nH]c(C#N)c2)C1=O ZINC001017489762 768054018 /nfs/dbraw/zinc/05/40/18/768054018.db2.gz CISNGJUDYVKPHK-OWCLPIDISA-N 1 2 341.415 0.796 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(-n2cnnn2)cc1 ZINC001051235645 761734103 /nfs/dbraw/zinc/73/41/03/761734103.db2.gz ROOZBEGZVZEJMQ-INIZCTEOSA-N 1 2 342.403 0.669 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(-n2cnnn2)cc1 ZINC001051235645 761734108 /nfs/dbraw/zinc/73/41/08/761734108.db2.gz ROOZBEGZVZEJMQ-INIZCTEOSA-N 1 2 342.403 0.669 20 30 ECEDLO Cc1nc(NC[C@@H](O)CNC(=O)CCc2c[nH+]cn2C)ccc1C#N ZINC001105928393 762839650 /nfs/dbraw/zinc/83/96/50/762839650.db2.gz UKXBVHPVGIJKIV-OAHLLOKOSA-N 1 2 342.403 0.517 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001014880224 763359847 /nfs/dbraw/zinc/35/98/47/763359847.db2.gz IXSJPOCYIAWYGM-GXTWGEPZSA-N 1 2 340.387 0.892 20 30 ECEDLO Cc1cnc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)nc1 ZINC001051997391 763547631 /nfs/dbraw/zinc/54/76/31/763547631.db2.gz BFVFCKDARRCXBJ-JKSUJKDBSA-N 1 2 342.447 0.663 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)CC1 ZINC001052006635 763572986 /nfs/dbraw/zinc/57/29/86/763572986.db2.gz QLTLTPWCQSNWGZ-MRXNPFEDSA-N 1 2 325.416 0.742 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cccnc3)C2)CC1 ZINC001052014809 763588961 /nfs/dbraw/zinc/58/89/61/763588961.db2.gz LEPLUVFIMBWXBQ-GOSISDBHSA-N 1 2 326.444 0.866 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)CC3OCCCO3)C2)CC1 ZINC001052017401 763593406 /nfs/dbraw/zinc/59/34/06/763593406.db2.gz HUGKPXBGALJSRB-MRXNPFEDSA-N 1 2 337.464 0.934 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccnn3CC)C2)CC1 ZINC001052017811 763596201 /nfs/dbraw/zinc/59/62/01/763596201.db2.gz VSBDBQNLSPUHRU-MRXNPFEDSA-N 1 2 329.448 0.758 20 30 ECEDLO Cn1ccnc1CN1CC[NH+]([C@H]2CCN(C(=O)C#CC3CC3)C2)CC1 ZINC001052026593 763619898 /nfs/dbraw/zinc/61/98/98/763619898.db2.gz QVZWRDXDEOMXNE-KRWDZBQOSA-N 1 2 341.459 0.552 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)c3ccnn3C)C2)CC1 ZINC001052030311 763629113 /nfs/dbraw/zinc/62/91/13/763629113.db2.gz LXGWLHKOKLSAGQ-IAGOWNOFSA-N 1 2 343.475 0.765 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3cnn(C)c3C)C2)CC1 ZINC001052032486 763635498 /nfs/dbraw/zinc/63/54/98/763635498.db2.gz HDUSFJOYWPMZKY-QGZVFWFLSA-N 1 2 329.448 0.123 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc(C)nc3OC)C2)CC1 ZINC001052035780 763645475 /nfs/dbraw/zinc/64/54/75/763645475.db2.gz POCQOTQOESBJOC-HNNXBMFYSA-N 1 2 345.447 0.812 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)CCc3ccn(C)n3)C2)CC1 ZINC001052036103 763645986 /nfs/dbraw/zinc/64/59/86/763645986.db2.gz ZNRVQWPQGMVYKA-SFHVURJKSA-N 1 2 343.475 0.595 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@@H]3CCC(=O)NC3)C2)CC1 ZINC001052036930 763652084 /nfs/dbraw/zinc/65/20/84/763652084.db2.gz YKKISOFULYTPDC-DLBZAZTESA-N 1 2 346.475 0.145 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c(C)ncn3C)C2)CC1 ZINC001052037429 763655485 /nfs/dbraw/zinc/65/54/85/763655485.db2.gz LYGANTANIQZAPC-MRXNPFEDSA-N 1 2 329.448 0.584 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@H](C)C2CC2)C[C@H]1OC ZINC001212185115 763659343 /nfs/dbraw/zinc/65/93/43/763659343.db2.gz NUFMKTZQEUCLNX-FVQBIDKESA-N 1 2 335.448 0.520 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N[C@H](C)C2CC2)C[C@H]1OC ZINC001212185115 763659346 /nfs/dbraw/zinc/65/93/46/763659346.db2.gz NUFMKTZQEUCLNX-FVQBIDKESA-N 1 2 335.448 0.520 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn[nH]c(=O)c3)C2)CC1 ZINC001052040426 763661474 /nfs/dbraw/zinc/66/14/74/763661474.db2.gz AMMVZLWFPYRUKX-OAHLLOKOSA-N 1 2 329.404 0.038 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)c3[nH]c(=O)[nH]c3C)C2)CC1 ZINC001052041496 763667796 /nfs/dbraw/zinc/66/77/96/763667796.db2.gz JKIBGVZQOQSUND-CQSZACIVSA-N 1 2 333.436 0.832 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCCn4nccc43)C2)CC1 ZINC001052044978 763681225 /nfs/dbraw/zinc/68/12/25/763681225.db2.gz PFKWIOAICASOAI-DLBZAZTESA-N 1 2 341.459 0.612 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001052045783 763684549 /nfs/dbraw/zinc/68/45/49/763684549.db2.gz ULVXKEPDVHXARJ-STQMWFEESA-N 1 2 335.433 0.351 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3Cc4ccccc4O3)C2)CC1 ZINC001052047633 763691117 /nfs/dbraw/zinc/69/11/17/763691117.db2.gz ULGLWPXTZCZASY-PKOBYXMFSA-N 1 2 339.439 0.842 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)CN3CCCNC3=O)C2)CC1 ZINC001052047815 763692837 /nfs/dbraw/zinc/69/28/37/763692837.db2.gz BDFHMJUXVDWPPG-MRXNPFEDSA-N 1 2 349.479 0.196 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)C[C@H]3CCCC(=O)N3)C2)CC1 ZINC001052049417 763701096 /nfs/dbraw/zinc/70/10/96/763701096.db2.gz LFYFMKFYQIHAHJ-SJORKVTESA-N 1 2 348.491 0.840 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@H]3CCCC(=O)N3)C2)CC1 ZINC001052050747 763708294 /nfs/dbraw/zinc/70/82/94/763708294.db2.gz YNEOXXFECWTUPK-SJORKVTESA-N 1 2 346.475 0.287 20 30 ECEDLO N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)nc1 ZINC001106016088 763717917 /nfs/dbraw/zinc/71/79/17/763717917.db2.gz NSYDPMMWAGRPHQ-KGLIPLIRSA-N 1 2 340.387 0.301 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)c1 ZINC001015042080 763734080 /nfs/dbraw/zinc/73/40/80/763734080.db2.gz HXTCJSKVCHZJIW-HIFRSBDPSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)c1 ZINC001015042080 763734083 /nfs/dbraw/zinc/73/40/83/763734083.db2.gz HXTCJSKVCHZJIW-HIFRSBDPSA-N 1 2 344.390 0.914 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([NH+]2CCN([C@@H](C)C(N)=O)CC2)C1 ZINC001052059550 763736901 /nfs/dbraw/zinc/73/69/01/763736901.db2.gz KNGKUFQAQHSYMN-GJZGRUSLSA-N 1 2 336.480 0.681 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)CC1 ZINC001052059517 763737757 /nfs/dbraw/zinc/73/77/57/763737757.db2.gz JQQPNJMBUWQOKA-UONOGXRCSA-N 1 2 340.855 0.094 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3CCC(=O)N3C)C2)CC1 ZINC001052061269 763742803 /nfs/dbraw/zinc/74/28/03/763742803.db2.gz VRFWPTGWQXQXDI-DLBZAZTESA-N 1 2 348.491 0.792 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)C[C@H]3CCC(=O)N3C)C2)CC1 ZINC001052061073 763742868 /nfs/dbraw/zinc/74/28/68/763742868.db2.gz RTZUTTUKGRFEKW-SJORKVTESA-N 1 2 346.475 0.239 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@]3(C)CCOC3)C2)nn1 ZINC001098758229 763751376 /nfs/dbraw/zinc/75/13/76/763751376.db2.gz XKQZXYMWCJSNNM-NVXWUHKLSA-N 1 2 331.420 0.591 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCN(C)C3=O)C2)CC1 ZINC001052064879 763752988 /nfs/dbraw/zinc/75/29/88/763752988.db2.gz IJCGDPDXXCLZED-CVEARBPZSA-N 1 2 334.464 0.259 20 30 ECEDLO C=CCN1CC[C@H](N2CC(NC(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1=O ZINC001030514281 763756108 /nfs/dbraw/zinc/75/61/08/763756108.db2.gz MDTCSYYVOMUSAF-HNNXBMFYSA-N 1 2 345.447 0.514 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCc4nn[nH]c43)C2)CC1 ZINC001052068564 763762958 /nfs/dbraw/zinc/76/29/58/763762958.db2.gz JMYKOVFZKGIHDA-HUUCEWRRSA-N 1 2 342.447 0.076 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@]3(C)CCCOC3)C2)nn1 ZINC001098758284 763764160 /nfs/dbraw/zinc/76/41/60/763764160.db2.gz YWDUBWCNRDVOOX-AEFFLSMTSA-N 1 2 345.447 0.981 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3nccs3)C2)nn1 ZINC001098758293 763765916 /nfs/dbraw/zinc/76/59/16/763765916.db2.gz ZAWPVTVSARBXRA-ZDUSSCGKSA-N 1 2 330.417 0.935 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccc(=O)n3C)C2)CC1 ZINC001052081177 763797554 /nfs/dbraw/zinc/79/75/54/763797554.db2.gz KFQXSBZXXCLSIQ-MRXNPFEDSA-N 1 2 342.443 0.241 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@]3(C)CCNC3=O)C2)CC1 ZINC001052081540 763798621 /nfs/dbraw/zinc/79/86/21/763798621.db2.gz NMKXLCQQCKVJIO-CRAIPNDOSA-N 1 2 334.464 0.307 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([NH+]3CCN(CC(=O)N(C)C)CC3)C2)C1 ZINC001052082125 763801038 /nfs/dbraw/zinc/80/10/38/763801038.db2.gz QSXVMLKAQRVQTK-MRXNPFEDSA-N 1 2 348.491 0.649 20 30 ECEDLO Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052087103 763817375 /nfs/dbraw/zinc/81/73/75/763817375.db2.gz YXJMCKMEYWPALC-BZUAXINKSA-N 1 2 342.447 0.266 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(C)[nH]c3=O)C2)CC1 ZINC001052087598 763819538 /nfs/dbraw/zinc/81/95/38/763819538.db2.gz ZSJHITYPFLUPRD-INIZCTEOSA-N 1 2 342.443 0.951 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)Cn3ccc(C)cc3=O)C2)CC1 ZINC001052090256 763827113 /nfs/dbraw/zinc/82/71/13/763827113.db2.gz ZUDUFEMHEIUMDT-KRWDZBQOSA-N 1 2 342.443 0.008 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cscn3)C2)CC1 ZINC001052093001 763834791 /nfs/dbraw/zinc/83/47/91/763834791.db2.gz IIMLLDMQCCKZQZ-INIZCTEOSA-N 1 2 332.473 0.927 20 30 ECEDLO CN(C)c1cc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)ccn1 ZINC001052093057 763835076 /nfs/dbraw/zinc/83/50/76/763835076.db2.gz JNMJNYXMWUXMFK-MRXNPFEDSA-N 1 2 342.447 0.503 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccn4ccnc34)C2)CC1 ZINC001052098934 763856361 /nfs/dbraw/zinc/85/63/61/763856361.db2.gz RDRHMBQESBANOE-MRXNPFEDSA-N 1 2 337.427 0.800 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)C2)CC1 ZINC001052105310 763875813 /nfs/dbraw/zinc/87/58/13/763875813.db2.gz HVVJZMIJRBTVNR-SJORKVTESA-N 1 2 346.475 0.097 20 30 ECEDLO CO[C@H](C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)C1CCCC1 ZINC001052111952 763906249 /nfs/dbraw/zinc/90/62/49/763906249.db2.gz HXVOJDLYXJKOGN-IRXDYDNUSA-N 1 2 334.464 0.934 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)Cn3ccccc3=O)C2)CC1 ZINC001052117042 763925056 /nfs/dbraw/zinc/92/50/56/763925056.db2.gz DXQRUICYMCEFNM-KRWDZBQOSA-N 1 2 342.443 0.090 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)Cn3ccccc3=O)C2)CC1 ZINC001052117585 763928409 /nfs/dbraw/zinc/92/84/09/763928409.db2.gz UOLDUMFSILAHLP-KRWDZBQOSA-N 1 2 342.443 0.090 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)CCc3cnn(C)c3)C2)CC1 ZINC001052119156 763935396 /nfs/dbraw/zinc/93/53/96/763935396.db2.gz LGAKYHZGAMVRAH-GOSISDBHSA-N 1 2 343.475 0.595 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCC(=O)N(C)C3)C2)CC1 ZINC001052122763 763947198 /nfs/dbraw/zinc/94/71/98/763947198.db2.gz ZPHXKPGTMAPHDQ-DLBZAZTESA-N 1 2 346.475 0.097 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc(OCC)cn3)C2)CC1 ZINC001052125181 763952653 /nfs/dbraw/zinc/95/26/53/763952653.db2.gz LMVLVYYLWJJKAB-HNNXBMFYSA-N 1 2 345.447 0.893 20 30 ECEDLO CN(C(=O)[C@@H]1CCCOC1)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047318353 763980511 /nfs/dbraw/zinc/98/05/11/763980511.db2.gz PGHJBMIFOORRRD-QYZOEREBSA-N 1 2 342.439 0.968 20 30 ECEDLO CN(C(=O)[C@@H]1CCCOC1)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047318353 763980514 /nfs/dbraw/zinc/98/05/14/763980514.db2.gz PGHJBMIFOORRRD-QYZOEREBSA-N 1 2 342.439 0.968 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](CC(=O)N2CCCCC2)C1 ZINC001031987299 763993433 /nfs/dbraw/zinc/99/34/33/763993433.db2.gz HHFFEQSEMMLVKE-CVEARBPZSA-N 1 2 335.448 0.638 20 30 ECEDLO C[C@H]1[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1C(=O)c1c[nH]c(C#N)c1 ZINC001015172738 764067680 /nfs/dbraw/zinc/06/76/80/764067680.db2.gz GNVMGJCVJFZRBX-SMDDNHRTSA-N 1 2 340.387 0.961 20 30 ECEDLO CN(C(=O)c1ncc[nH]1)[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001047375310 764151444 /nfs/dbraw/zinc/15/14/44/764151444.db2.gz MSBRLJWJVWDCHQ-GJZGRUSLSA-N 1 2 343.362 0.738 20 30 ECEDLO CN(C(=O)c1ncc[nH]1)[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001047375310 764151449 /nfs/dbraw/zinc/15/14/49/764151449.db2.gz MSBRLJWJVWDCHQ-GJZGRUSLSA-N 1 2 343.362 0.738 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn([C@@H](C)COC)nc2C)C1 ZINC001047379463 764165456 /nfs/dbraw/zinc/16/54/56/764165456.db2.gz BDRUWIJMUNDLDI-RCBQFDQVSA-N 1 2 334.420 0.149 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn([C@@H](C)COC)nc2C)C1 ZINC001047379463 764165459 /nfs/dbraw/zinc/16/54/59/764165459.db2.gz BDRUWIJMUNDLDI-RCBQFDQVSA-N 1 2 334.420 0.149 20 30 ECEDLO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001052319668 764243626 /nfs/dbraw/zinc/24/36/26/764243626.db2.gz DPFSTTWIPHLTFK-DGCLKSJQSA-N 1 2 340.387 0.676 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1OC ZINC001212189193 764334641 /nfs/dbraw/zinc/33/46/41/764334641.db2.gz XGHPYBNYAVMPEI-BRWVUGGUSA-N 1 2 347.459 0.759 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1OC ZINC001212189193 764334648 /nfs/dbraw/zinc/33/46/48/764334648.db2.gz XGHPYBNYAVMPEI-BRWVUGGUSA-N 1 2 347.459 0.759 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc3c2C(=O)NCCC3)C1 ZINC001047465356 764424059 /nfs/dbraw/zinc/42/40/59/764424059.db2.gz YUGUZINVKLGUNX-KBPBESRZSA-N 1 2 345.399 0.096 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc3c2C(=O)NCCC3)C1 ZINC001047465356 764424063 /nfs/dbraw/zinc/42/40/63/764424063.db2.gz YUGUZINVKLGUNX-KBPBESRZSA-N 1 2 345.399 0.096 20 30 ECEDLO C[C@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]1CN(c1ccnc(C#N)n1)C2 ZINC001052424806 764463753 /nfs/dbraw/zinc/46/37/53/764463753.db2.gz IUZQIQHDQADHJH-PXAZEXFGSA-N 1 2 337.387 0.599 20 30 ECEDLO C[C@@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CNC(=O)C1 ZINC001015374725 764470491 /nfs/dbraw/zinc/47/04/91/764470491.db2.gz GKTLNGNQHVWMRP-KSSFIOAISA-N 1 2 344.390 0.914 20 30 ECEDLO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CNC(=O)C1 ZINC001015374725 764470495 /nfs/dbraw/zinc/47/04/95/764470495.db2.gz GKTLNGNQHVWMRP-KSSFIOAISA-N 1 2 344.390 0.914 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2nnnn2C)CC1 ZINC001052448111 764518445 /nfs/dbraw/zinc/51/84/45/764518445.db2.gz UPSRORMRJFYZJF-CQSZACIVSA-N 1 2 343.435 0.982 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1CCC[N@H+](Cc2nnnn2C)CC1 ZINC001052448111 764518451 /nfs/dbraw/zinc/51/84/51/764518451.db2.gz UPSRORMRJFYZJF-CQSZACIVSA-N 1 2 343.435 0.982 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC001017633475 768221302 /nfs/dbraw/zinc/22/13/02/768221302.db2.gz CWVUIJCHTDBFET-OKILXGFUSA-N 1 2 325.368 0.940 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC001017633475 768221306 /nfs/dbraw/zinc/22/13/06/768221306.db2.gz CWVUIJCHTDBFET-OKILXGFUSA-N 1 2 325.368 0.940 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC2(OC)CCC2)[C@H](OC)C1 ZINC001212191908 764581492 /nfs/dbraw/zinc/58/14/92/764581492.db2.gz SXELIQGVDVBZLJ-ZIAGYGMSSA-N 1 2 339.436 0.063 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC2(OC)CCC2)[C@H](OC)C1 ZINC001212191908 764581494 /nfs/dbraw/zinc/58/14/94/764581494.db2.gz SXELIQGVDVBZLJ-ZIAGYGMSSA-N 1 2 339.436 0.063 20 30 ECEDLO O=C(C#CC1CC1)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001047523802 764585715 /nfs/dbraw/zinc/58/57/15/764585715.db2.gz YAYDCWWKXKTYJM-ZNMIVQPWSA-N 1 2 326.400 0.861 20 30 ECEDLO C=CCn1cccc1C(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001054753358 768229495 /nfs/dbraw/zinc/22/94/95/768229495.db2.gz XUCHUVGXXRQKFH-OLZOCXBDSA-N 1 2 329.408 0.448 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001047532296 764615138 /nfs/dbraw/zinc/61/51/38/764615138.db2.gz ZGXPZTXLTOZCKM-DZKIICNBSA-N 1 2 344.415 0.488 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C ZINC001052549915 764738181 /nfs/dbraw/zinc/73/81/81/764738181.db2.gz XQVYODQBFNSGES-IUODEOHRSA-N 1 2 328.416 0.885 20 30 ECEDLO C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001052550282 764739504 /nfs/dbraw/zinc/73/95/04/764739504.db2.gz ZTDPNNIEGIAERC-DZGCQCFKSA-N 1 2 328.416 0.966 20 30 ECEDLO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC001047585753 764782985 /nfs/dbraw/zinc/78/29/85/764782985.db2.gz LPRGRVLTMABPSC-HOTGVXAUSA-N 1 2 339.399 0.612 20 30 ECEDLO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC001047585753 764782988 /nfs/dbraw/zinc/78/29/88/764782988.db2.gz LPRGRVLTMABPSC-HOTGVXAUSA-N 1 2 339.399 0.612 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@H]1C ZINC001089022567 764786555 /nfs/dbraw/zinc/78/65/55/764786555.db2.gz BWJLHOOYIMSZQU-MNOVXSKESA-N 1 2 328.214 0.766 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)[C@H]1C ZINC001089022567 764786560 /nfs/dbraw/zinc/78/65/60/764786560.db2.gz BWJLHOOYIMSZQU-MNOVXSKESA-N 1 2 328.214 0.766 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c[nH]1 ZINC001015546536 764927222 /nfs/dbraw/zinc/92/72/22/764927222.db2.gz SWXLQFHMLLRKGW-YPMHNXCESA-N 1 2 340.387 0.867 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2CC2)C[C@H]1Nc1nccnc1C#N ZINC001052714028 765033512 /nfs/dbraw/zinc/03/35/12/765033512.db2.gz DFZMOFAYFALGAI-TZMCWYRMSA-N 1 2 337.387 0.898 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000991980026 765041596 /nfs/dbraw/zinc/04/15/96/765041596.db2.gz SLRBYUGFKDGQSN-BBRMVZONSA-N 1 2 332.404 0.651 20 30 ECEDLO C[C@]1(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)CCNC1=O ZINC001015695972 765179072 /nfs/dbraw/zinc/17/90/72/765179072.db2.gz SFNNBESAMZWPHH-KDOFPFPSSA-N 1 2 344.390 0.914 20 30 ECEDLO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)CCNC1=O ZINC001015695972 765179075 /nfs/dbraw/zinc/17/90/75/765179075.db2.gz SFNNBESAMZWPHH-KDOFPFPSSA-N 1 2 344.390 0.914 20 30 ECEDLO C[C@@]1(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)CCNC1=O ZINC001015696174 765179231 /nfs/dbraw/zinc/17/92/31/765179231.db2.gz WGSOBYGWOMGVLR-QFBILLFUSA-N 1 2 343.402 0.894 20 30 ECEDLO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)CCNC1=O ZINC001015696174 765179233 /nfs/dbraw/zinc/17/92/33/765179233.db2.gz WGSOBYGWOMGVLR-QFBILLFUSA-N 1 2 343.402 0.894 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000992074259 765381956 /nfs/dbraw/zinc/38/19/56/765381956.db2.gz GYCIWQVZAHHUOC-WQVCFCJDSA-N 1 2 346.431 0.897 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000992074259 765381968 /nfs/dbraw/zinc/38/19/68/765381968.db2.gz GYCIWQVZAHHUOC-WQVCFCJDSA-N 1 2 346.431 0.897 20 30 ECEDLO N#CCOc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ncn[nH]3)C2)cc1 ZINC001015871797 765473273 /nfs/dbraw/zinc/47/32/73/765473273.db2.gz SPBLORMWKUXFJJ-CYBMUJFWSA-N 1 2 326.360 0.711 20 30 ECEDLO N#CCOc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ncn[nH]3)C2)cc1 ZINC001015871797 765473279 /nfs/dbraw/zinc/47/32/79/765473279.db2.gz SPBLORMWKUXFJJ-CYBMUJFWSA-N 1 2 326.360 0.711 20 30 ECEDLO C=CCOCC(=O)NC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001053067664 765542180 /nfs/dbraw/zinc/54/21/80/765542180.db2.gz VZHVVALMSDVZRF-HUUCEWRRSA-N 1 2 334.420 0.687 20 30 ECEDLO N#Cc1nccc(N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)Cn2cc[nH+]c2)C3)n1 ZINC001054827593 768305451 /nfs/dbraw/zinc/30/54/51/768305451.db2.gz PGPGPVYMGMQFJI-IHRRRGAJSA-N 1 2 337.387 0.458 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNc1[nH+]cnc2c1cnn2C ZINC001106442797 768309107 /nfs/dbraw/zinc/30/91/07/768309107.db2.gz LNCIVTPHYYCMLS-RYUDHWBXSA-N 1 2 330.392 0.708 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3c(C)nnn3CC)C2)cn1 ZINC001016028710 765732031 /nfs/dbraw/zinc/73/20/31/765732031.db2.gz BFDLTHDNBZYCHN-MRXNPFEDSA-N 1 2 338.415 0.987 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3c(C)nnn3CC)C2)cn1 ZINC001016028710 765732037 /nfs/dbraw/zinc/73/20/37/765732037.db2.gz BFDLTHDNBZYCHN-MRXNPFEDSA-N 1 2 338.415 0.987 20 30 ECEDLO N#Cc1cnc(NC[C@@H](O)CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)cn1 ZINC001106104111 765754981 /nfs/dbraw/zinc/75/49/81/765754981.db2.gz HPOPPHOXIFWMLW-VXGBXAGGSA-N 1 2 341.375 0.080 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@@H+]1Cc1cnnn1C ZINC000993175185 768322818 /nfs/dbraw/zinc/32/28/18/768322818.db2.gz YWNRRRKPBODJNB-RISCZKNCSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@H+]1Cc1cnnn1C ZINC000993175185 768322825 /nfs/dbraw/zinc/32/28/25/768322825.db2.gz YWNRRRKPBODJNB-RISCZKNCSA-N 1 2 327.392 0.798 20 30 ECEDLO C#CCCN1CC2(C1)CN(C(=O)Cc1cn3c([nH+]1)CCCC3)CCO2 ZINC001053263599 765865232 /nfs/dbraw/zinc/86/52/32/765865232.db2.gz QSVOFYCEFLQFAU-UHFFFAOYSA-N 1 2 342.443 0.698 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 ZINC001053327502 765979099 /nfs/dbraw/zinc/97/90/99/765979099.db2.gz LUNSITHSEYAIKU-UHFFFAOYSA-N 1 2 327.388 0.832 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1c(C)c(C)n[nH]c1=O)CCO2 ZINC001053366917 766041158 /nfs/dbraw/zinc/04/11/58/766041158.db2.gz RCDDMIXVUFXIQN-UHFFFAOYSA-N 1 2 332.404 0.902 20 30 ECEDLO C#CCN1CC2(C1)CN(C(=O)C1([NH+]3CCOCC3)CCCC1)CCO2 ZINC001053454773 766162518 /nfs/dbraw/zinc/16/25/18/766162518.db2.gz ZBTNGVBHBMGMFL-UHFFFAOYSA-N 1 2 347.459 0.178 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnc3c(c2)c(C)nn3C)[C@@H](O)C1 ZINC001083685659 766178031 /nfs/dbraw/zinc/17/80/31/766178031.db2.gz FPAWYUONXZMENE-CABCVRRESA-N 1 2 327.388 0.075 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3c(c2)c(C)nn3C)[C@@H](O)C1 ZINC001083685659 766178037 /nfs/dbraw/zinc/17/80/37/766178037.db2.gz FPAWYUONXZMENE-CABCVRRESA-N 1 2 327.388 0.075 20 30 ECEDLO Cc1n[nH]cc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001083686321 766218858 /nfs/dbraw/zinc/21/88/58/766218858.db2.gz LZIIOOFIKKALRU-KGLIPLIRSA-N 1 2 331.401 0.626 20 30 ECEDLO Cc1n[nH]cc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001083686321 766218863 /nfs/dbraw/zinc/21/88/63/766218863.db2.gz LZIIOOFIKKALRU-KGLIPLIRSA-N 1 2 331.401 0.626 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001016423538 766272461 /nfs/dbraw/zinc/27/24/61/766272461.db2.gz XDLNZHGEJFRINA-UHFFFAOYSA-N 1 2 340.387 0.880 20 30 ECEDLO C[C@H](CCNc1ccnc(C#N)n1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001106484420 768364689 /nfs/dbraw/zinc/36/46/89/768364689.db2.gz DCKWGBGQXHVDJC-OLZOCXBDSA-N 1 2 339.403 0.536 20 30 ECEDLO N#Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cnoc3)C2)ccc1F ZINC001077555168 766400710 /nfs/dbraw/zinc/40/07/10/766400710.db2.gz AXVQORSNZACVLM-HZPDHXFCSA-N 1 2 344.346 0.589 20 30 ECEDLO N#Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cnoc3)C2)ccc1F ZINC001077555168 766400714 /nfs/dbraw/zinc/40/07/14/766400714.db2.gz AXVQORSNZACVLM-HZPDHXFCSA-N 1 2 344.346 0.589 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccnc3c1CC(=O)N3)O2 ZINC001053623913 766463018 /nfs/dbraw/zinc/46/30/18/766463018.db2.gz DJSFUXLXZMLWLY-GFCCVEGCSA-N 1 2 342.399 0.725 20 30 ECEDLO N#Cc1cnc(NC[C@H](O)CNC(=O)Cc2c[nH]c[nH+]2)c(Cl)c1 ZINC001106130089 766469835 /nfs/dbraw/zinc/46/98/35/766469835.db2.gz PTQOBWMCMNEEBY-LLVKDONJSA-N 1 2 334.767 0.461 20 30 ECEDLO N#CCN1CC2(C1)CC[C@@H](CNC(=O)c1cccc3[nH+]ccn31)O2 ZINC001053626569 766469911 /nfs/dbraw/zinc/46/99/11/766469911.db2.gz ZMDUPCBNSLEJSG-ZDUSSCGKSA-N 1 2 325.372 0.821 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCc3nncn3CC1)O2 ZINC001053632225 766480443 /nfs/dbraw/zinc/48/04/43/766480443.db2.gz VKICNFJKLGUHSG-LSDHHAIUSA-N 1 2 345.447 0.766 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1coc(C(N)=O)c1)O2 ZINC001053638621 766493935 /nfs/dbraw/zinc/49/39/35/766493935.db2.gz RLIVFGOHHZDIIF-ZDUSSCGKSA-N 1 2 333.388 0.918 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCC[C@@]2(CC[N@H+](Cc3nnnn3C)C2)C1 ZINC001045923687 766496291 /nfs/dbraw/zinc/49/62/91/766496291.db2.gz CPWHFYBAVNHCRH-CJNGLKHVSA-N 1 2 331.424 0.574 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCC[C@@]2(CC[N@@H+](Cc3nnnn3C)C2)C1 ZINC001045923687 766496297 /nfs/dbraw/zinc/49/62/97/766496297.db2.gz CPWHFYBAVNHCRH-CJNGLKHVSA-N 1 2 331.424 0.574 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnn3cccnc13)O2 ZINC001053640891 766497738 /nfs/dbraw/zinc/49/77/38/766497738.db2.gz FYDLQWCFLGRHPM-CYBMUJFWSA-N 1 2 327.388 0.879 20 30 ECEDLO C[C@H](CC(=O)NC[C@H](O)CNc1ccc(C#N)cn1)n1cc[nH+]c1 ZINC001106131420 766578791 /nfs/dbraw/zinc/57/87/91/766578791.db2.gz ATTZYTRBXOBGTF-TZMCWYRMSA-N 1 2 328.376 0.690 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccn3c(=O)[nH]nc13)O2 ZINC001053685961 766584897 /nfs/dbraw/zinc/58/48/97/766584897.db2.gz CKARDUFMTGENPI-LBPRGKRZSA-N 1 2 343.387 0.584 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCN1C(C)=O)O2 ZINC001053692925 766600506 /nfs/dbraw/zinc/60/05/06/766600506.db2.gz VYTKMTMXRRWSMS-CVEARBPZSA-N 1 2 335.448 0.923 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C)[C@@H](O)C2)cc1C#N ZINC001083701778 766669103 /nfs/dbraw/zinc/66/91/03/766669103.db2.gz XNGCQNSFKBPVRD-MPESAESLSA-N 1 2 329.400 0.884 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C)[C@@H](O)C2)cc1C#N ZINC001083701778 766669109 /nfs/dbraw/zinc/66/91/09/766669109.db2.gz XNGCQNSFKBPVRD-MPESAESLSA-N 1 2 329.400 0.884 20 30 ECEDLO CC(C)n1nccc1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046032210 766704865 /nfs/dbraw/zinc/70/48/65/766704865.db2.gz FRKGUPNRBSLOPT-HNNXBMFYSA-N 1 2 330.436 0.820 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cccc4n[nH]nc43)CC2)C1 ZINC001046032963 766707616 /nfs/dbraw/zinc/70/76/16/766707616.db2.gz PFUBFCCKULTOBK-CYBMUJFWSA-N 1 2 339.403 0.314 20 30 ECEDLO COCc1cncc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)c1 ZINC001046037322 766732763 /nfs/dbraw/zinc/73/27/63/766732763.db2.gz WJBSMQPEWMORKE-KRWDZBQOSA-N 1 2 343.431 0.584 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3CCn4ccnc4C3)CC2)C1 ZINC001046040821 766749312 /nfs/dbraw/zinc/74/93/12/766749312.db2.gz LRWZBYYDRZBHJG-CVEARBPZSA-N 1 2 342.447 0.188 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cnn(CCF)c3)CC2)C1 ZINC001046041564 766752120 /nfs/dbraw/zinc/75/21/20/766752120.db2.gz RWGQDDUNJJMERP-OAHLLOKOSA-N 1 2 334.399 0.208 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)CCc3cccnc3)CC2)C1 ZINC001046041440 766752715 /nfs/dbraw/zinc/75/27/15/766752715.db2.gz JEVGVJHHUMABAY-QGZVFWFLSA-N 1 2 327.432 0.756 20 30 ECEDLO COc1cc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)ccn1 ZINC001046042951 766759544 /nfs/dbraw/zinc/75/95/44/766759544.db2.gz QAQWKYRHWKGRAP-HNNXBMFYSA-N 1 2 329.404 0.446 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cnc4nccn4c3)CC2)C1 ZINC001046043890 766764052 /nfs/dbraw/zinc/76/40/52/766764052.db2.gz MHWMXDCFCIDMQM-OAHLLOKOSA-N 1 2 339.403 0.085 20 30 ECEDLO CC1(C)CO[C@@H](CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)C1 ZINC001046044604 766767884 /nfs/dbraw/zinc/76/78/84/766767884.db2.gz ZTLVWJPZFSPHFZ-CVEARBPZSA-N 1 2 334.464 0.934 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)Cc3occc3C)[C@@H](O)C2)C1=O ZINC001083764284 766790727 /nfs/dbraw/zinc/79/07/27/766790727.db2.gz ZTIPOZZDAGZFFN-ILXRZTDVSA-N 1 2 347.415 0.079 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)Cc3occc3C)[C@@H](O)C2)C1=O ZINC001083764284 766790732 /nfs/dbraw/zinc/79/07/32/766790732.db2.gz ZTIPOZZDAGZFFN-ILXRZTDVSA-N 1 2 347.415 0.079 20 30 ECEDLO COc1c(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)c(C)nn1C ZINC001046065668 766851745 /nfs/dbraw/zinc/85/17/45/766851745.db2.gz BUDPBGHQHAGYDC-AWEZNQCLSA-N 1 2 346.435 0.093 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn(CCOC)nc1C)CO2 ZINC001053800186 766881136 /nfs/dbraw/zinc/88/11/36/766881136.db2.gz KRTHJIAOKYIRIN-OAHLLOKOSA-N 1 2 348.447 0.987 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)CC[C@@H]3CCCOC3)CC2)C1 ZINC001046074734 766891749 /nfs/dbraw/zinc/89/17/49/766891749.db2.gz FZZHGAMEULJZSH-IRXDYDNUSA-N 1 2 334.464 0.935 20 30 ECEDLO N#CCN1CC2(C1)C[C@@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)CO2 ZINC001053807240 766899725 /nfs/dbraw/zinc/89/97/25/766899725.db2.gz FSWXSZJTLXYTCG-CQSZACIVSA-N 1 2 329.404 0.245 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)CN3CCCCCC3=O)CC2)C1 ZINC001046080738 766917667 /nfs/dbraw/zinc/91/76/67/766917667.db2.gz BSFWUTWKULAOEH-INIZCTEOSA-N 1 2 347.463 0.131 20 30 ECEDLO COc1ccc(CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)cc1 ZINC001046080508 766917795 /nfs/dbraw/zinc/91/77/95/766917795.db2.gz OUGAGNDQIACIHV-QGZVFWFLSA-N 1 2 342.443 0.980 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000994830095 766919739 /nfs/dbraw/zinc/91/97/39/766919739.db2.gz UBBWGTHUZJVBLX-NHIYQJMISA-N 1 2 344.415 0.821 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000994830095 766919744 /nfs/dbraw/zinc/91/97/44/766919744.db2.gz UBBWGTHUZJVBLX-NHIYQJMISA-N 1 2 344.415 0.821 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC(=O)N(CC(C)C)C1)CO2 ZINC001053820429 766933413 /nfs/dbraw/zinc/93/34/13/766933413.db2.gz BOEMGFVOXZRDHR-HOTGVXAUSA-N 1 2 347.459 0.474 20 30 ECEDLO O=C(Cn1cc[nH+]c1)N[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001078270304 782594720 /nfs/dbraw/zinc/59/47/20/782594720.db2.gz NRRUYQDKYFKBGI-IAGOWNOFSA-N 1 2 342.374 0.235 20 30 ECEDLO C=CCC1(C(=O)NCC2(O)CN(C(=O)CCn3cc[nH+]c3)C2)CCC1 ZINC001046126392 766958435 /nfs/dbraw/zinc/95/84/35/766958435.db2.gz DXHIMGUTEBQNDV-UHFFFAOYSA-N 1 2 346.431 0.709 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccnc3ccnn31)CO2 ZINC001053828631 766959777 /nfs/dbraw/zinc/95/97/77/766959777.db2.gz WWWOVTXAPIOWRW-CYBMUJFWSA-N 1 2 327.388 0.879 20 30 ECEDLO CCN(c1cncc(C#N)n1)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001089667744 766965680 /nfs/dbraw/zinc/96/56/80/766965680.db2.gz MLFOEALGFYGEPO-GFCCVEGCSA-N 1 2 327.392 0.655 20 30 ECEDLO CCN(c1nccnc1C#N)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001089674386 766998437 /nfs/dbraw/zinc/99/84/37/766998437.db2.gz HHJAAFAFTNHJJB-LLVKDONJSA-N 1 2 327.392 0.954 20 30 ECEDLO CC#CCN1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)CO2 ZINC001053853040 767024103 /nfs/dbraw/zinc/02/41/03/767024103.db2.gz WCOJZLHNEQIFAI-GJZGRUSLSA-N 1 2 328.416 0.428 20 30 ECEDLO Cn1cnnc1C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21 ZINC001042015760 782602426 /nfs/dbraw/zinc/60/24/26/782602426.db2.gz KWCZDTKGHXHLQZ-WFASDCNBSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1cnnc1C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21 ZINC001042015760 782602428 /nfs/dbraw/zinc/60/24/28/782602428.db2.gz 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Cn1ncc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]32)n1 ZINC001042018394 782608411 /nfs/dbraw/zinc/60/84/11/782608411.db2.gz IWHIWAOQPBCTRG-WBMJQRKESA-N 1 2 339.403 0.751 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3c[nH]nc32)[C@H](OC)C1 ZINC001212282423 767130238 /nfs/dbraw/zinc/13/02/38/767130238.db2.gz SKXPHWZTSYWILP-BZUAXINKSA-N 1 2 346.431 0.295 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3c[nH]nc32)[C@H](OC)C1 ZINC001212282423 767130241 /nfs/dbraw/zinc/13/02/41/767130241.db2.gz SKXPHWZTSYWILP-BZUAXINKSA-N 1 2 346.431 0.295 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001046320637 767146078 /nfs/dbraw/zinc/14/60/78/767146078.db2.gz XBWBIKPUYLCQNO-IIYDPXPESA-N 1 2 349.435 0.170 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001046320637 767146080 /nfs/dbraw/zinc/14/60/80/767146080.db2.gz XBWBIKPUYLCQNO-IIYDPXPESA-N 1 2 349.435 0.170 20 30 ECEDLO 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ZINC001055313285 768768694 /nfs/dbraw/zinc/76/86/94/768768694.db2.gz JRPUAXJEKLUYFP-AHIWAGSCSA-N 1 2 332.404 0.196 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001055313920 768770185 /nfs/dbraw/zinc/77/01/85/768770185.db2.gz JLWGELZPBNHTQY-KFWWJZLASA-N 1 2 344.415 0.297 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N(CC)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106744328 768816297 /nfs/dbraw/zinc/81/62/97/768816297.db2.gz LJXMYUCSGYDSGV-MRXNPFEDSA-N 1 2 336.440 0.834 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1 ZINC001055370967 768822122 /nfs/dbraw/zinc/82/21/22/768822122.db2.gz VLYFRZPVKYQBSV-YUELXQCFSA-N 1 2 337.387 0.848 20 30 ECEDLO C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001018228697 768922475 /nfs/dbraw/zinc/92/24/75/768922475.db2.gz CFJUSQFCUHYUDW-GXTWGEPZSA-N 1 2 340.387 0.892 20 30 ECEDLO O=C(C#CC1CC1)NC1CC[NH+](CCNC(=O)c2cnns2)CC1 ZINC001055531430 769025460 /nfs/dbraw/zinc/02/54/60/769025460.db2.gz DMMVUDQMTPQQAF-UHFFFAOYSA-N 1 2 347.444 0.262 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@H]3CCOC3)C2)CC1 ZINC001018359137 769188229 /nfs/dbraw/zinc/18/82/29/769188229.db2.gz ZOLBGJXUGNVVLX-HOTGVXAUSA-N 1 2 335.448 0.592 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3cnn(C)c3)C2)CC1 ZINC001018361988 769197333 /nfs/dbraw/zinc/19/73/33/769197333.db2.gz AUGUCMIHQCATIV-HNNXBMFYSA-N 1 2 345.447 0.603 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NC1CC[NH+](CCNC(=O)c2ncn[nH]2)CC1 ZINC001055614801 769261949 /nfs/dbraw/zinc/26/19/49/769261949.db2.gz KVNBEJLLNRTTTE-ZDUSSCGKSA-N 1 2 348.451 0.717 20 30 ECEDLO CCC(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1c1c[nH+]cn1C ZINC000993599780 769344577 /nfs/dbraw/zinc/34/45/77/769344577.db2.gz AWWTWRQTDHARRV-TZMCWYRMSA-N 1 2 340.387 0.754 20 30 ECEDLO CO[C@H](C)c1noc(C[NH2+][C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001018731389 769819834 /nfs/dbraw/zinc/81/98/34/769819834.db2.gz VYLMKCQJMXYJPN-PWSUYJOCSA-N 1 2 344.375 0.981 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C ZINC001042113529 782794697 /nfs/dbraw/zinc/79/46/97/782794697.db2.gz IZMAOLRRRXRVLQ-QMTHXVAHSA-N 1 2 325.376 0.563 20 30 ECEDLO O=C(CCc1[nH]cc[nH+]1)N[C@@]1(CO)CCCN(C(=O)C#CC2CC2)C1 ZINC001055915240 770204053 /nfs/dbraw/zinc/20/40/53/770204053.db2.gz VKCKLFIQBTUAAY-SFHVURJKSA-N 1 2 344.415 0.225 20 30 ECEDLO CC(C)C#CC(=O)N1CCC[C@](CO)(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001055915218 770204076 /nfs/dbraw/zinc/20/40/76/770204076.db2.gz VDEKGYNFCONNPG-SFHVURJKSA-N 1 2 346.431 0.471 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC3CC3)[C@H]2C)cn1 ZINC000994247925 770422567 /nfs/dbraw/zinc/42/25/67/770422567.db2.gz HALTYUSLELUSQG-SUMWQHHRSA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NC3CC3)[C@H]2C)cn1 ZINC000994247925 770422572 /nfs/dbraw/zinc/42/25/72/770422572.db2.gz HALTYUSLELUSQG-SUMWQHHRSA-N 1 2 340.427 0.924 20 30 ECEDLO C#CCCCCC(=O)N1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001055996534 770492244 /nfs/dbraw/zinc/49/22/44/770492244.db2.gz GCBXRJHIZHPCIE-SFHVURJKSA-N 1 2 346.431 0.546 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN(c2cncc(C#N)n2)CC1 ZINC001056024438 770597583 /nfs/dbraw/zinc/59/75/83/770597583.db2.gz BNQOCPIUSZWFNS-ZIAGYGMSSA-N 1 2 337.387 0.534 20 30 ECEDLO C[C@@H](CC(=O)N1CCN(c2ccc(C#N)nn2)CC1)n1cc[nH+]c1 ZINC001056039314 770646069 /nfs/dbraw/zinc/64/60/69/770646069.db2.gz LRMONAGJLVJMRS-ZDUSSCGKSA-N 1 2 325.376 0.845 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CCN(c2ccnc(C#N)n2)CC1 ZINC001056095775 770812879 /nfs/dbraw/zinc/81/28/79/770812879.db2.gz LUHPJTQANBAWFV-UHFFFAOYSA-N 1 2 325.376 0.363 20 30 ECEDLO COCc1noc(C[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCCO2)n1 ZINC001078398362 782870044 /nfs/dbraw/zinc/87/00/44/782870044.db2.gz NNRXEAMUCVCSAG-AWEZNQCLSA-N 1 2 348.403 0.337 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCC[C@](CO)(NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001056165473 770973895 /nfs/dbraw/zinc/97/38/95/770973895.db2.gz UXRBICIDRIWCNY-SFHVURJKSA-N 1 2 346.431 0.778 20 30 ECEDLO O=C(C#CC1CC1)N1CCC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001019222820 771021285 /nfs/dbraw/zinc/02/12/85/771021285.db2.gz SYPQFICANAXRMG-UHFFFAOYSA-N 1 2 326.400 0.748 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CC2(C1)CCN(C(=O)C#CC1CC1)C2 ZINC001019279244 771092897 /nfs/dbraw/zinc/09/28/97/771092897.db2.gz SZXCRYVUJIZVSR-UHFFFAOYSA-N 1 2 340.427 0.827 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC001056304978 771097518 /nfs/dbraw/zinc/09/75/18/771097518.db2.gz AYDDKQHKLKNFCQ-GJZGRUSLSA-N 1 2 332.404 0.678 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056312182 771108353 /nfs/dbraw/zinc/10/83/53/771108353.db2.gz YWUDUQWDPNOYLV-KGLIPLIRSA-N 1 2 332.404 0.747 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056381073 771204763 /nfs/dbraw/zinc/20/47/63/771204763.db2.gz VCMAMOFTIXIIBM-IYOUNJFTSA-N 1 2 346.431 0.871 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056401432 771226544 /nfs/dbraw/zinc/22/65/44/771226544.db2.gz GLOUIGQXIYPXBH-FVQBIDKESA-N 1 2 344.415 0.582 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC001056401759 771226988 /nfs/dbraw/zinc/22/69/88/771226988.db2.gz KCHCCDGWVOVDOE-BZUAXINKSA-N 1 2 344.415 0.513 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3n[nH]cc3F)[C@@H](O)C2)cc1 ZINC001083758784 771304720 /nfs/dbraw/zinc/30/47/20/771304720.db2.gz SQQWLJVJHSLNGR-KGLIPLIRSA-N 1 2 329.335 0.396 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)c3n[nH]cc3F)[C@@H](O)C2)cc1 ZINC001083758784 771304723 /nfs/dbraw/zinc/30/47/23/771304723.db2.gz SQQWLJVJHSLNGR-KGLIPLIRSA-N 1 2 329.335 0.396 20 30 ECEDLO CO[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)C#CC(C)C ZINC001212241467 771385149 /nfs/dbraw/zinc/38/51/49/771385149.db2.gz RXRWXLWGCKDHPH-IXDOHACOSA-N 1 2 347.459 0.615 20 30 ECEDLO CO[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)C#CC(C)C ZINC001212241467 771385153 /nfs/dbraw/zinc/38/51/53/771385153.db2.gz RXRWXLWGCKDHPH-IXDOHACOSA-N 1 2 347.459 0.615 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CN(c2cc[nH+]c(C)n2)CCCO1 ZINC001089546840 771443776 /nfs/dbraw/zinc/44/37/76/771443776.db2.gz MUCNAYKFRWVRLR-HIFRSBDPSA-N 1 2 332.404 0.535 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N2CC[C@@H](Nc3ccnc(C#N)n3)C2)c[nH+]1 ZINC001056811462 771674064 /nfs/dbraw/zinc/67/40/64/771674064.db2.gz YKYSNBJGHUNBCA-CYBMUJFWSA-N 1 2 339.403 0.723 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)c2ncnc3c2C[N@H+](C)CC3)C1 ZINC001056870967 771746059 /nfs/dbraw/zinc/74/60/59/771746059.db2.gz FCKUMFCDRYLDHO-QWHCGFSZSA-N 1 2 328.420 0.661 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)c2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001056870967 771746060 /nfs/dbraw/zinc/74/60/60/771746060.db2.gz FCKUMFCDRYLDHO-QWHCGFSZSA-N 1 2 328.420 0.661 20 30 ECEDLO Cc1cc(C#N)nc(N(C)[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC001056935060 771827182 /nfs/dbraw/zinc/82/71/82/771827182.db2.gz DABHUKVPQBUUJL-AWEZNQCLSA-N 1 2 325.376 0.591 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](N(C)c2cnc(C#N)cn2)C1 ZINC001057047089 771992347 /nfs/dbraw/zinc/99/23/47/771992347.db2.gz OKBAHFRUYDNASU-IUODEOHRSA-N 1 2 339.403 0.987 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](N(C)c2cnc(C#N)cn2)C1 ZINC001057047089 771992351 /nfs/dbraw/zinc/99/23/51/771992351.db2.gz OKBAHFRUYDNASU-IUODEOHRSA-N 1 2 339.403 0.987 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001019908804 772010129 /nfs/dbraw/zinc/01/01/29/772010129.db2.gz VLSNIRYDKOEWLF-LSDHHAIUSA-N 1 2 346.431 0.924 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCN(c2ncnc3c2C[N@H+](C)CC3)CC1 ZINC001057107017 772094545 /nfs/dbraw/zinc/09/45/45/772094545.db2.gz DIQUCEQASNIJBY-CYBMUJFWSA-N 1 2 328.420 0.663 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCN(c2ncnc3c2C[N@@H+](C)CC3)CC1 ZINC001057107017 772094552 /nfs/dbraw/zinc/09/45/52/772094552.db2.gz DIQUCEQASNIJBY-CYBMUJFWSA-N 1 2 328.420 0.663 20 30 ECEDLO C#CCCCC(=O)N(CCO)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001057445491 772622857 /nfs/dbraw/zinc/62/28/57/772622857.db2.gz XFAGSKUJOIUWAY-UHFFFAOYSA-N 1 2 342.399 0.917 20 30 ECEDLO N#Cc1cncc(NCC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)n1 ZINC001057545145 772741037 /nfs/dbraw/zinc/74/10/37/772741037.db2.gz OOIMJLCJNFOVKQ-UHFFFAOYSA-N 1 2 325.376 0.965 20 30 ECEDLO C[C@H](CC(=O)N(CCO)CCNC(=O)C#CC(C)(C)C)n1cc[nH+]c1 ZINC001057610083 772811861 /nfs/dbraw/zinc/81/18/61/772811861.db2.gz ZOKMFLLEPXCCIO-OAHLLOKOSA-N 1 2 348.447 0.821 20 30 ECEDLO Cc1cc(C#N)nc(N2CCC(NC(=O)Cc3c[nH+]cn3C)CC2)n1 ZINC001057885166 773130549 /nfs/dbraw/zinc/13/05/49/773130549.db2.gz HJASVGOITBYCBZ-UHFFFAOYSA-N 1 2 339.403 0.718 20 30 ECEDLO C=CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001057946388 773246656 /nfs/dbraw/zinc/24/66/56/773246656.db2.gz AVCIDXWPXJNURJ-OAHLLOKOSA-N 1 2 348.447 0.739 20 30 ECEDLO C=CCCC(=O)NCCN(CCO)C(=O)Cc1c[nH+]ccc1OC ZINC001057971915 773313397 /nfs/dbraw/zinc/31/33/97/773313397.db2.gz IXWXQNAMHOXZEU-UHFFFAOYSA-N 1 2 335.404 0.536 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCN(c2cnc(C#N)cn2)C1 ZINC001058176688 773706931 /nfs/dbraw/zinc/70/69/31/773706931.db2.gz DZWNUNJROZOBLV-GFCCVEGCSA-N 1 2 325.376 0.409 20 30 ECEDLO C=C[C@H](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001040631138 783137540 /nfs/dbraw/zinc/13/75/40/783137540.db2.gz ZDFNORFMRAUCRB-DYVFJYSZSA-N 1 2 334.420 0.634 20 30 ECEDLO C=CC(C)(C)CC(=O)NC[C@@]1(O)CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001039818364 783146810 /nfs/dbraw/zinc/14/68/10/783146810.db2.gz DSIRJYBHNGDQLQ-SFHVURJKSA-N 1 2 348.447 0.943 20 30 ECEDLO C=CC(C)(C)CC(=O)NC[C@]1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039819212 783148681 /nfs/dbraw/zinc/14/86/81/783148681.db2.gz NEYJBSVAKJAPOL-QGZVFWFLSA-N 1 2 334.420 0.634 20 30 ECEDLO N#Cc1ccc(N2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H](O)C2)nc1 ZINC001044767895 774590907 /nfs/dbraw/zinc/59/09/07/774590907.db2.gz MTDPMIJANPFIFW-CVEARBPZSA-N 1 2 348.366 0.809 20 30 ECEDLO C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H](C)C1 ZINC001044777235 774600464 /nfs/dbraw/zinc/60/04/64/774600464.db2.gz QWTRBMUCXDWNCP-QWHCGFSZSA-N 1 2 344.419 0.616 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001045069607 774929408 /nfs/dbraw/zinc/92/94/08/774929408.db2.gz YAULXKSUTSFMPH-KGLIPLIRSA-N 1 2 348.447 0.880 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001045069607 774929414 /nfs/dbraw/zinc/92/94/14/774929414.db2.gz YAULXKSUTSFMPH-KGLIPLIRSA-N 1 2 348.447 0.880 20 30 ECEDLO Cc1nc(N2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)c(C)c(C)[nH+]1 ZINC001043877540 775185207 /nfs/dbraw/zinc/18/52/07/775185207.db2.gz MYXPBQIYEGBOLN-CABCVRRESA-N 1 2 340.387 0.581 20 30 ECEDLO C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001045459127 775642866 /nfs/dbraw/zinc/64/28/66/775642866.db2.gz UWLSRUPUQOPLJE-CQSZACIVSA-N 1 2 346.431 0.491 20 30 ECEDLO CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2CCCCS2(=O)=O)CC1 ZINC001045460707 775644099 /nfs/dbraw/zinc/64/40/99/775644099.db2.gz IREPPLHZPLFVJG-CQSZACIVSA-N 1 2 326.462 0.948 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001044141858 775778704 /nfs/dbraw/zinc/77/87/04/775778704.db2.gz SUKGFXZJTFGYNQ-AWEZNQCLSA-N 1 2 334.420 0.565 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2nc(CC)oc2C)[C@@H](n2ccnn2)C1 ZINC001070050781 790454122 /nfs/dbraw/zinc/45/41/22/790454122.db2.gz RXPZXGGZYBXOKX-OLZOCXBDSA-N 1 2 330.392 0.978 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2nc(CC)oc2C)[C@@H](n2ccnn2)C1 ZINC001070050781 790454130 /nfs/dbraw/zinc/45/41/30/790454130.db2.gz RXPZXGGZYBXOKX-OLZOCXBDSA-N 1 2 330.392 0.978 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001079630699 776557000 /nfs/dbraw/zinc/55/70/00/776557000.db2.gz JBLNCEUMYPOTHO-PSASIEDQSA-N 1 2 344.209 0.937 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001079630699 776557011 /nfs/dbraw/zinc/55/70/11/776557011.db2.gz JBLNCEUMYPOTHO-PSASIEDQSA-N 1 2 344.209 0.937 20 30 ECEDLO CCN(C(=O)CCc1[nH]cc[nH+]1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001079691305 776696376 /nfs/dbraw/zinc/69/63/76/776696376.db2.gz LNAJNHIIOXYVCR-UHFFFAOYSA-N 1 2 340.387 0.915 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001079721149 776761230 /nfs/dbraw/zinc/76/12/30/776761230.db2.gz PBRHXYJEPMKVQT-TUVASFSCSA-N 1 2 344.477 0.449 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001079721149 776761234 /nfs/dbraw/zinc/76/12/34/776761234.db2.gz PBRHXYJEPMKVQT-TUVASFSCSA-N 1 2 344.477 0.449 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)Cn1nccn1 ZINC001079773914 776843636 /nfs/dbraw/zinc/84/36/36/776843636.db2.gz FIWMDOKTJSRYQI-MLGOLLRUSA-N 1 2 342.378 0.926 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)Cn1nccn1 ZINC001079773914 776843647 /nfs/dbraw/zinc/84/36/47/776843647.db2.gz FIWMDOKTJSRYQI-MLGOLLRUSA-N 1 2 342.378 0.926 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001079776251 776849954 /nfs/dbraw/zinc/84/99/54/776849954.db2.gz DSMVPWNDMKSGEX-ZDUSSCGKSA-N 1 2 332.404 0.358 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnoc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070068260 790497412 /nfs/dbraw/zinc/49/74/12/790497412.db2.gz PKJQGBAREAHFHW-KGLIPLIRSA-N 1 2 328.376 0.985 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cnoc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070068260 790497417 /nfs/dbraw/zinc/49/74/17/790497417.db2.gz PKJQGBAREAHFHW-KGLIPLIRSA-N 1 2 328.376 0.985 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001079854288 776984161 /nfs/dbraw/zinc/98/41/61/776984161.db2.gz DIMOBUWDLMMVIF-CHWSQXEVSA-N 1 2 344.419 0.346 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001079854288 776984165 /nfs/dbraw/zinc/98/41/65/776984165.db2.gz DIMOBUWDLMMVIF-CHWSQXEVSA-N 1 2 344.419 0.346 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnnn2CC)C[C@H]1C ZINC001079878065 777012168 /nfs/dbraw/zinc/01/21/68/777012168.db2.gz DWWBOPQIHBOVQU-OIISXLGYSA-N 1 2 344.463 0.332 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnnn2CC)C[C@H]1C ZINC001079878065 777012173 /nfs/dbraw/zinc/01/21/73/777012173.db2.gz DWWBOPQIHBOVQU-OIISXLGYSA-N 1 2 344.463 0.332 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001070070690 790502963 /nfs/dbraw/zinc/50/29/63/790502963.db2.gz OWBAGTIKTVWWAE-ZNMIVQPWSA-N 1 2 346.435 0.207 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001070070690 790502967 /nfs/dbraw/zinc/50/29/67/790502967.db2.gz OWBAGTIKTVWWAE-ZNMIVQPWSA-N 1 2 346.435 0.207 20 30 ECEDLO C=CCOCC(=O)N1CC(N(CC)C(=O)CCCn2cc[nH+]c2)C1 ZINC001080026041 777255288 /nfs/dbraw/zinc/25/52/88/777255288.db2.gz XVLJWVLCGQOQSV-UHFFFAOYSA-N 1 2 334.420 0.925 20 30 ECEDLO C#CCCCC(=O)N1CC(N(CC)C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC001080097721 777386589 /nfs/dbraw/zinc/38/65/89/777386589.db2.gz NZNQNLVPEBMSAD-UHFFFAOYSA-N 1 2 349.475 0.960 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001080144384 777461932 /nfs/dbraw/zinc/46/19/32/777461932.db2.gz YNPMJCQDKSRWFD-ZDUSSCGKSA-N 1 2 346.431 0.785 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001080183342 777513881 /nfs/dbraw/zinc/51/38/81/777513881.db2.gz RFPKQMJFZFASGR-UDZFHETQSA-N 1 2 344.253 0.858 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001080183342 777513884 /nfs/dbraw/zinc/51/38/84/777513884.db2.gz RFPKQMJFZFASGR-UDZFHETQSA-N 1 2 344.253 0.858 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cncnc2CC)[C@@H](n2ccnn2)C1 ZINC001070097497 790596150 /nfs/dbraw/zinc/59/61/50/790596150.db2.gz WKZHJAXDQZVFLC-CVEARBPZSA-N 1 2 339.403 0.309 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cncnc2CC)[C@@H](n2ccnn2)C1 ZINC001070097497 790596156 /nfs/dbraw/zinc/59/61/56/790596156.db2.gz WKZHJAXDQZVFLC-CVEARBPZSA-N 1 2 339.403 0.309 20 30 ECEDLO C=C(Cl)CN1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001070108138 790629232 /nfs/dbraw/zinc/62/92/32/790629232.db2.gz LLMBCXNTHSYRMD-OLZOCXBDSA-N 1 2 335.799 0.269 20 30 ECEDLO C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001043622285 778611291 /nfs/dbraw/zinc/61/12/91/778611291.db2.gz JPHMEJGEZAGOEL-CYBMUJFWSA-N 1 2 332.404 0.101 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CC(C)(C)C=C)C1 ZINC001043648470 778663589 /nfs/dbraw/zinc/66/35/89/778663589.db2.gz FPZGXAAJTVCEDW-HNNXBMFYSA-N 1 2 347.459 0.376 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CC(C)(C)C=C)C1 ZINC001043648470 778663592 /nfs/dbraw/zinc/66/35/92/778663592.db2.gz FPZGXAAJTVCEDW-HNNXBMFYSA-N 1 2 347.459 0.376 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)/C=C(\C)C2CC2)C1 ZINC001043650229 778667308 /nfs/dbraw/zinc/66/73/08/778667308.db2.gz SCWJSKZPHYUAQW-DKGMDFAASA-N 1 2 345.443 0.130 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)/C=C(\C)C2CC2)C1 ZINC001043650229 778667310 /nfs/dbraw/zinc/66/73/10/778667310.db2.gz SCWJSKZPHYUAQW-DKGMDFAASA-N 1 2 345.443 0.130 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C[C@@H](C=C)CC)C1 ZINC001043651908 778670445 /nfs/dbraw/zinc/67/04/45/778670445.db2.gz PIPHMPXHXIWGAO-HOTGVXAUSA-N 1 2 347.459 0.376 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C[C@@H](C=C)CC)C1 ZINC001043651908 778670450 /nfs/dbraw/zinc/67/04/50/778670450.db2.gz PIPHMPXHXIWGAO-HOTGVXAUSA-N 1 2 347.459 0.376 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC23CCOCC3)[C@@H](n2ccnn2)C1 ZINC001070115973 790658972 /nfs/dbraw/zinc/65/89/72/790658972.db2.gz HLQOOKWYFYHCSD-ZNMIVQPWSA-N 1 2 329.404 0.070 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC23CCOCC3)[C@@H](n2ccnn2)C1 ZINC001070115973 790658983 /nfs/dbraw/zinc/65/89/83/790658983.db2.gz HLQOOKWYFYHCSD-ZNMIVQPWSA-N 1 2 329.404 0.070 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[NH+](CCCCCNC(=O)c2cn[nH]n2)CC1 ZINC001079161826 780838752 /nfs/dbraw/zinc/83/87/52/780838752.db2.gz JUAFXFUWLPSMEA-CYBMUJFWSA-N 1 2 347.423 0.009 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[NH+](CCCCCNC(=O)c2cnn[nH]2)CC1 ZINC001079161826 780838764 /nfs/dbraw/zinc/83/87/64/780838764.db2.gz JUAFXFUWLPSMEA-CYBMUJFWSA-N 1 2 347.423 0.009 20 30 ECEDLO CN(C(=O)Cn1nccn1)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001042800280 780843108 /nfs/dbraw/zinc/84/31/08/780843108.db2.gz CTHHPLZRWUGSDY-UHFFFAOYSA-N 1 2 340.387 0.523 20 30 ECEDLO CO[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001042871676 780971405 /nfs/dbraw/zinc/97/14/05/780971405.db2.gz CCKMONQHDFCYDR-CHWSQXEVSA-N 1 2 344.350 0.378 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079400031 781076582 /nfs/dbraw/zinc/07/65/82/781076582.db2.gz JODXEAYKAYDOPY-IAQYHMDHSA-N 1 2 343.366 0.321 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079400031 781076588 /nfs/dbraw/zinc/07/65/88/781076588.db2.gz JODXEAYKAYDOPY-IAQYHMDHSA-N 1 2 343.366 0.321 20 30 ECEDLO O=C(C#CC1CC1)NCC1(O)CN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001042963584 781106594 /nfs/dbraw/zinc/10/65/94/781106594.db2.gz PDVNHAASBMWXQE-UHFFFAOYSA-N 1 2 338.367 0.051 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Br)co2)C1 ZINC001077780330 781682960 /nfs/dbraw/zinc/68/29/60/781682960.db2.gz KNMXJPGLNXWLDE-GHMZBOCLSA-N 1 2 327.178 0.840 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(Br)co2)C1 ZINC001077780330 781682967 /nfs/dbraw/zinc/68/29/67/781682967.db2.gz KNMXJPGLNXWLDE-GHMZBOCLSA-N 1 2 327.178 0.840 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)CCc1[nH+]ccn1C ZINC001077791568 781704805 /nfs/dbraw/zinc/70/48/05/781704805.db2.gz ORECNFWWTVBKGR-GUYCJALGSA-N 1 2 336.436 0.691 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3csc(C)c3)C2)C1=O ZINC001077840003 781803802 /nfs/dbraw/zinc/80/38/02/781803802.db2.gz IFGIOTYLSOXGSP-RBSFLKMASA-N 1 2 349.456 0.618 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3csc(C)c3)C2)C1=O ZINC001077840003 781803806 /nfs/dbraw/zinc/80/38/06/781803806.db2.gz IFGIOTYLSOXGSP-RBSFLKMASA-N 1 2 349.456 0.618 20 30 ECEDLO C[C@@]1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)CCOC1 ZINC001077902065 781905024 /nfs/dbraw/zinc/90/50/24/781905024.db2.gz PXTQMLDXNKTIMZ-IIAWOOMASA-N 1 2 335.429 0.708 20 30 ECEDLO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)CCOC1 ZINC001077902065 781905032 /nfs/dbraw/zinc/90/50/32/781905032.db2.gz PXTQMLDXNKTIMZ-IIAWOOMASA-N 1 2 335.429 0.708 20 30 ECEDLO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001077906711 781914839 /nfs/dbraw/zinc/91/48/39/781914839.db2.gz MSKXXJNMIMSERL-HZPDHXFCSA-N 1 2 325.372 0.066 20 30 ECEDLO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001077906711 781914849 /nfs/dbraw/zinc/91/48/49/781914849.db2.gz MSKXXJNMIMSERL-HZPDHXFCSA-N 1 2 325.372 0.066 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040696377 783287086 /nfs/dbraw/zinc/28/70/86/783287086.db2.gz LOELHCVLMJIUQH-QGZVFWFLSA-N 1 2 334.420 0.634 20 30 ECEDLO C#CCC1(C(=O)N2CC[C@](O)(CNC(=O)Cc3[nH]cc[nH+]3)C2)CCC1 ZINC001040696365 783287587 /nfs/dbraw/zinc/28/75/87/783287587.db2.gz LKSXXXKUBQFSMW-SFHVURJKSA-N 1 2 344.415 0.225 20 30 ECEDLO C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001040728853 783340151 /nfs/dbraw/zinc/34/01/51/783340151.db2.gz GUKPEEFWNDCMCW-KRWDZBQOSA-N 1 2 334.420 0.697 20 30 ECEDLO C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001040730346 783342108 /nfs/dbraw/zinc/34/21/08/783342108.db2.gz XMTDYAWAQCOVIV-KRWDZBQOSA-N 1 2 334.420 0.778 20 30 ECEDLO C[C@@H](C#N)C(=O)NC[C@@]1(O)CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001040767259 783395360 /nfs/dbraw/zinc/39/53/60/783395360.db2.gz XBAIAAVFOPYDLX-SJCJKPOMSA-N 1 2 341.371 0.187 20 30 ECEDLO C=CCCC1(C(=O)NC[C@]2(O)CCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001040811572 783485409 /nfs/dbraw/zinc/48/54/09/783485409.db2.gz CSPNGEXZUZABCJ-GOSISDBHSA-N 1 2 346.431 0.778 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H]([NH2+]Cc2cn(C)nn2)[C@@H](n2ccnn2)C1 ZINC001070252032 783744023 /nfs/dbraw/zinc/74/40/23/783744023.db2.gz LXBUGTAWOGMWCU-KGLIPLIRSA-N 1 2 344.423 0.161 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)c2cc(CC)n[nH]2)C1=O ZINC001038065351 783810232 /nfs/dbraw/zinc/81/02/32/783810232.db2.gz AHHLUJBMGKKLDR-ZFWWWQNUSA-N 1 2 331.420 0.563 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)c2cc(CC)n[nH]2)C1=O ZINC001038065351 783810243 /nfs/dbraw/zinc/81/02/43/783810243.db2.gz AHHLUJBMGKKLDR-ZFWWWQNUSA-N 1 2 331.420 0.563 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)c2cc[nH]c(=O)c2)C1=O ZINC001038149449 783919456 /nfs/dbraw/zinc/91/94/56/783919456.db2.gz AEFRWPIKJVCJMX-KGLIPLIRSA-N 1 2 330.388 0.378 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)c2cc[nH]c(=O)c2)C1=O ZINC001038149449 783919462 /nfs/dbraw/zinc/91/94/62/783919462.db2.gz AEFRWPIKJVCJMX-KGLIPLIRSA-N 1 2 330.388 0.378 20 30 ECEDLO Cn1cnc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(OCC#N)cc2)n1 ZINC001038222454 784016763 /nfs/dbraw/zinc/01/67/63/784016763.db2.gz USYOFYIENZAOCD-AWEZNQCLSA-N 1 2 340.387 0.722 20 30 ECEDLO Cn1cnc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(OCC#N)cc2)n1 ZINC001038222454 784016765 /nfs/dbraw/zinc/01/67/65/784016765.db2.gz USYOFYIENZAOCD-AWEZNQCLSA-N 1 2 340.387 0.722 20 30 ECEDLO C#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001070422765 784035121 /nfs/dbraw/zinc/03/51/21/784035121.db2.gz IAIQZPAXHSIUCE-NSHDSACASA-N 1 2 328.376 0.201 20 30 ECEDLO C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001070422765 784035129 /nfs/dbraw/zinc/03/51/29/784035129.db2.gz IAIQZPAXHSIUCE-NSHDSACASA-N 1 2 328.376 0.201 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1CCCO1)C[C@H]2c1nnc(C)[nH]1 ZINC001070441258 784081487 /nfs/dbraw/zinc/08/14/87/784081487.db2.gz RSRYWGIKVYBZQG-GJZGRUSLSA-N 1 2 343.431 0.543 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[C@@H]1C(F)F)C[C@H]2c1nnc(C)[nH]1 ZINC001070444324 784092588 /nfs/dbraw/zinc/09/25/88/784092588.db2.gz NQUXPDMSGBBKLU-AVGNSLFASA-N 1 2 349.385 0.875 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cc(C)n[nH]2)C1 ZINC001070907233 784093007 /nfs/dbraw/zinc/09/30/07/784093007.db2.gz NEKQRLUMEJPEMQ-YUELXQCFSA-N 1 2 345.403 0.624 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cc(C)n[nH]2)C1 ZINC001070907233 784093013 /nfs/dbraw/zinc/09/30/13/784093013.db2.gz NEKQRLUMEJPEMQ-YUELXQCFSA-N 1 2 345.403 0.624 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cc(C)[nH]n2)C1 ZINC001070907233 784093022 /nfs/dbraw/zinc/09/30/22/784093022.db2.gz NEKQRLUMEJPEMQ-YUELXQCFSA-N 1 2 345.403 0.624 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cc(C)[nH]n2)C1 ZINC001070907233 784093030 /nfs/dbraw/zinc/09/30/30/784093030.db2.gz NEKQRLUMEJPEMQ-YUELXQCFSA-N 1 2 345.403 0.624 20 30 ECEDLO CC#CC[NH+]1CC2(C1)CN(C(=O)c1cnco1)C[C@H]2c1nnc(C)[nH]1 ZINC001070447375 784103130 /nfs/dbraw/zinc/10/31/30/784103130.db2.gz JLIQNHUEHFQXBI-ZDUSSCGKSA-N 1 2 340.387 0.666 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2(C)CC2)C1 ZINC001070913086 784103735 /nfs/dbraw/zinc/10/37/35/784103735.db2.gz AZRQIHNSKSHYFU-ZNMIVQPWSA-N 1 2 331.416 0.916 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2(C)CC2)C1 ZINC001070913086 784103738 /nfs/dbraw/zinc/10/37/38/784103738.db2.gz AZRQIHNSKSHYFU-ZNMIVQPWSA-N 1 2 331.416 0.916 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@@H](F)C(C)C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070448607 784105303 /nfs/dbraw/zinc/10/53/03/784105303.db2.gz ZNEDGMRDWKTTMQ-KGLIPLIRSA-N 1 2 333.411 0.968 20 30 ECEDLO C=CC[NH+]1CC2(C1)CN(C(=O)c1n[nH]nc1C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070448542 784105352 /nfs/dbraw/zinc/10/53/52/784105352.db2.gz XSDCFBTUYUBTLB-GFCCVEGCSA-N 1 2 342.407 0.267 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@@]1(C)CCOC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070448797 784105559 /nfs/dbraw/zinc/10/55/59/784105559.db2.gz BYFYWICYYBQODY-PBHICJAKSA-N 1 2 343.431 0.401 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001070931951 784144681 /nfs/dbraw/zinc/14/46/81/784144681.db2.gz RJMYTCLIGZZLHT-OAHLLOKOSA-N 1 2 334.420 0.973 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2nncs2)C1 ZINC001070476654 784159146 /nfs/dbraw/zinc/15/91/46/784159146.db2.gz UMNVIUOIPFOZIA-GMXVVIOVSA-N 1 2 345.432 0.515 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001070554176 784265702 /nfs/dbraw/zinc/26/57/02/784265702.db2.gz JZWWSFDBVFTUPR-OAHLLOKOSA-N 1 2 347.415 0.943 20 30 ECEDLO C=CCN1CCNC(=O)CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001070976523 784291972 /nfs/dbraw/zinc/29/19/72/784291972.db2.gz GWIMJFLVJFGWAA-HNNXBMFYSA-N 1 2 345.447 0.282 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)CC1 ZINC001070981723 784313283 /nfs/dbraw/zinc/31/32/83/784313283.db2.gz ODVGTMYBXJAANZ-HUUCEWRRSA-N 1 2 345.447 0.360 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)CC1 ZINC001070981723 784313288 /nfs/dbraw/zinc/31/32/88/784313288.db2.gz ODVGTMYBXJAANZ-HUUCEWRRSA-N 1 2 345.447 0.360 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2ccn(C(C)C)n2)CC1 ZINC001070982723 784315202 /nfs/dbraw/zinc/31/52/02/784315202.db2.gz JLZHAPJWKJLQDQ-UHFFFAOYSA-N 1 2 347.463 0.843 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2ccn(C(C)C)n2)CC1 ZINC001070982723 784315212 /nfs/dbraw/zinc/31/52/12/784315212.db2.gz JLZHAPJWKJLQDQ-UHFFFAOYSA-N 1 2 347.463 0.843 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cn(C(C)C)nn2)CC1 ZINC001071011392 784405983 /nfs/dbraw/zinc/40/59/83/784405983.db2.gz CVCLLRVCSJSGLE-UHFFFAOYSA-N 1 2 346.435 0.146 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cn(C(C)C)nn2)CC1 ZINC001071011392 784405987 /nfs/dbraw/zinc/40/59/87/784405987.db2.gz CVCLLRVCSJSGLE-UHFFFAOYSA-N 1 2 346.435 0.146 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ncoc2C2CC2)CC1 ZINC001071012997 784411331 /nfs/dbraw/zinc/41/13/31/784411331.db2.gz NBRDFOYUAASEQK-UHFFFAOYSA-N 1 2 344.415 0.839 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ncoc2C2CC2)CC1 ZINC001071012997 784411334 /nfs/dbraw/zinc/41/13/34/784411334.db2.gz NBRDFOYUAASEQK-UHFFFAOYSA-N 1 2 344.415 0.839 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(Cl)no2)CC1 ZINC001071016545 784426153 /nfs/dbraw/zinc/42/61/53/784426153.db2.gz OWWAMFOYMXNSPB-UHFFFAOYSA-N 1 2 338.795 0.615 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(Cl)no2)CC1 ZINC001071016545 784426156 /nfs/dbraw/zinc/42/61/56/784426156.db2.gz OWWAMFOYMXNSPB-UHFFFAOYSA-N 1 2 338.795 0.615 20 30 ECEDLO Cc1nnsc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070619885 784446626 /nfs/dbraw/zinc/44/66/26/784446626.db2.gz QCVQQSMHXNWKPO-GHMZBOCLSA-N 1 2 331.405 0.301 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ccnc(F)c2)C[C@H]1NCC#N ZINC001070629989 784461137 /nfs/dbraw/zinc/46/11/37/784461137.db2.gz XSPUWIQCBQBYGE-CHWSQXEVSA-N 1 2 328.351 0.676 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCc2cnsn2)C1 ZINC001070630572 784462797 /nfs/dbraw/zinc/46/27/97/784462797.db2.gz WMAJDPYMGKANFR-CYZMBNFOSA-N 1 2 345.432 0.515 20 30 ECEDLO Cc1nscc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070641140 784479572 /nfs/dbraw/zinc/47/95/72/784479572.db2.gz ULNVEHSWRMRJOG-DGCLKSJQSA-N 1 2 330.417 0.906 20 30 ECEDLO Cc1cc(C)n(CC(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)n1 ZINC001070666983 784522908 /nfs/dbraw/zinc/52/29/08/784522908.db2.gz KLLDRJIHIAAWCU-HUUCEWRRSA-N 1 2 341.419 0.341 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@H]1NCC#N ZINC001070699360 784566669 /nfs/dbraw/zinc/56/66/69/784566669.db2.gz XFHVFPRLBWBVFF-ZIAGYGMSSA-N 1 2 327.392 0.184 20 30 ECEDLO CCn1cccc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070718277 784591766 /nfs/dbraw/zinc/59/17/66/784591766.db2.gz WGXZJPOJIWEXTC-ZIAGYGMSSA-N 1 2 326.404 0.963 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1nc[nH]n1)C[C@@H](C)O2 ZINC001071151409 784611218 /nfs/dbraw/zinc/61/12/18/784611218.db2.gz HSYKVWOZMCNTGP-RHSMWYFYSA-N 1 2 331.420 0.452 20 30 ECEDLO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCc1nc[nH]n1)C[C@@H](C)O2 ZINC001071151409 784611222 /nfs/dbraw/zinc/61/12/22/784611222.db2.gz HSYKVWOZMCNTGP-RHSMWYFYSA-N 1 2 331.420 0.452 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn[nH]n1)C[C@@H](C)O2 ZINC001071183972 784686033 /nfs/dbraw/zinc/68/60/33/784686033.db2.gz WELKLTNMFSUFTG-BXUZGUMPSA-N 1 2 325.800 0.863 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn[nH]n1)C[C@@H](C)O2 ZINC001071183972 784686035 /nfs/dbraw/zinc/68/60/35/784686035.db2.gz WELKLTNMFSUFTG-BXUZGUMPSA-N 1 2 325.800 0.863 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@]2(C1)CN(C(=O)C(N)=O)C[C@H](C)O2 ZINC001071206348 784735631 /nfs/dbraw/zinc/73/56/31/784735631.db2.gz IWMHDTXRXWPMEF-GWCFXTLKSA-N 1 2 346.225 0.072 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C(N)=O)C[C@H](C)O2 ZINC001071206348 784735634 /nfs/dbraw/zinc/73/56/34/784735634.db2.gz IWMHDTXRXWPMEF-GWCFXTLKSA-N 1 2 346.225 0.072 20 30 ECEDLO N#CCSCC(=O)N[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001070888192 784793313 /nfs/dbraw/zinc/79/33/13/784793313.db2.gz HBKFFYYMRDFGHZ-CYBMUJFWSA-N 1 2 335.433 0.706 20 30 ECEDLO N#CCSCC(=O)N[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001070888192 784793317 /nfs/dbraw/zinc/79/33/17/784793317.db2.gz HBKFFYYMRDFGHZ-CYBMUJFWSA-N 1 2 335.433 0.706 20 30 ECEDLO C#CCCN1CCN([C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C(=O)C1 ZINC001071274364 784912877 /nfs/dbraw/zinc/91/28/77/784912877.db2.gz XHETXVAQIVWZSG-MRXNPFEDSA-N 1 2 343.431 0.111 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001071778918 785092302 /nfs/dbraw/zinc/09/23/02/785092302.db2.gz BDCRESZHGRZAAW-SMDDNHRTSA-N 1 2 330.388 0.521 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001071778918 785092309 /nfs/dbraw/zinc/09/23/09/785092309.db2.gz BDCRESZHGRZAAW-SMDDNHRTSA-N 1 2 330.388 0.521 20 30 ECEDLO C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001071873874 785251459 /nfs/dbraw/zinc/25/14/59/785251459.db2.gz CKAHYTBZXQEPMZ-SMDDNHRTSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001071874423 785252751 /nfs/dbraw/zinc/25/27/51/785252751.db2.gz JSNPENOHJCRRQL-ABAIWWIYSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001071874423 785252756 /nfs/dbraw/zinc/25/27/56/785252756.db2.gz JSNPENOHJCRRQL-ABAIWWIYSA-N 1 2 340.387 0.819 20 30 ECEDLO C=CCOCCCC(=O)N1C[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC001071875941 785254924 /nfs/dbraw/zinc/25/49/24/785254924.db2.gz ZYAMMDMPEXOLLK-HOCLYGCPSA-N 1 2 348.447 0.909 20 30 ECEDLO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001071925573 785346547 /nfs/dbraw/zinc/34/65/47/785346547.db2.gz LTCOMDNJPBKLLU-RISCZKNCSA-N 1 2 340.387 0.819 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(=O)NC3CC3)C2)cn1 ZINC001072001562 785507420 /nfs/dbraw/zinc/50/74/20/785507420.db2.gz FAUXYTGNRCHMSJ-SUMWQHHRSA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(=O)NC3CC3)C2)cn1 ZINC001072001562 785507423 /nfs/dbraw/zinc/50/74/23/785507423.db2.gz FAUXYTGNRCHMSJ-SUMWQHHRSA-N 1 2 340.427 0.924 20 30 ECEDLO C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001072100971 785670671 /nfs/dbraw/zinc/67/06/71/785670671.db2.gz LNESZXBCHFMWNQ-DOMZBBRYSA-N 1 2 332.404 0.264 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](NC(=O)CSCC#N)[C@@H](C)C1 ZINC001072480191 786249500 /nfs/dbraw/zinc/24/95/00/786249500.db2.gz AHUAVYDQMYKZMI-GWCFXTLKSA-N 1 2 335.433 0.481 20 30 ECEDLO C=CCCOCC(=O)N[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001072510268 786302283 /nfs/dbraw/zinc/30/22/83/786302283.db2.gz LDHNVTRSKGKTHP-HUUCEWRRSA-N 1 2 348.447 0.909 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1noc3c1COCC3)C2 ZINC001072551724 786355617 /nfs/dbraw/zinc/35/56/17/786355617.db2.gz IXKASNGBGOXRBA-GFCCVEGCSA-N 1 2 330.388 0.941 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](Cc1noc3c1COCC3)C2 ZINC001072551724 786355622 /nfs/dbraw/zinc/35/56/22/786355622.db2.gz IXKASNGBGOXRBA-GFCCVEGCSA-N 1 2 330.388 0.941 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1nnnn1C1CC1)C2 ZINC001072553042 786357441 /nfs/dbraw/zinc/35/74/41/786357441.db2.gz VTUYALRXJRISTO-NEPJUHHUSA-N 1 2 329.408 0.763 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1nnnn1C1CC1)C2 ZINC001072553042 786357444 /nfs/dbraw/zinc/35/74/44/786357444.db2.gz VTUYALRXJRISTO-NEPJUHHUSA-N 1 2 329.408 0.763 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001073518641 786454449 /nfs/dbraw/zinc/45/44/49/786454449.db2.gz UAWSRTXDCXHJIK-UKRRQHHQSA-N 1 2 346.431 0.734 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3cnn(C)c3C)C[C@H]21 ZINC001074255348 786525421 /nfs/dbraw/zinc/52/54/21/786525421.db2.gz CPFDUXPEDGNKGN-QZTJIDSGSA-N 1 2 344.459 0.986 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3cnn(C)c3C)C[C@H]21 ZINC001074255348 786525422 /nfs/dbraw/zinc/52/54/22/786525422.db2.gz CPFDUXPEDGNKGN-QZTJIDSGSA-N 1 2 344.459 0.986 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCc3ccncn3)C[C@@H]21 ZINC001074259297 786533807 /nfs/dbraw/zinc/53/38/07/786533807.db2.gz LEGGJUWIHUZYGV-IRXDYDNUSA-N 1 2 328.416 0.734 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCc3ccncn3)C[C@@H]21 ZINC001074259297 786533810 /nfs/dbraw/zinc/53/38/10/786533810.db2.gz LEGGJUWIHUZYGV-IRXDYDNUSA-N 1 2 328.416 0.734 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)nnn3CC)C[C@@H]21 ZINC001074264272 786541502 /nfs/dbraw/zinc/54/15/02/786541502.db2.gz RVIVELVDBIWNBV-LSDHHAIUSA-N 1 2 331.420 0.545 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)nnn3CC)C[C@@H]21 ZINC001074264272 786541505 /nfs/dbraw/zinc/54/15/05/786541505.db2.gz RVIVELVDBIWNBV-LSDHHAIUSA-N 1 2 331.420 0.545 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccnn3CCOC)C[C@@H]21 ZINC001074273583 786562547 /nfs/dbraw/zinc/56/25/47/786562547.db2.gz LOBNIWPVAJTJPV-DLBZAZTESA-N 1 2 346.431 0.468 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccnn3CCOC)C[C@@H]21 ZINC001074273583 786562556 /nfs/dbraw/zinc/56/25/56/786562556.db2.gz LOBNIWPVAJTJPV-DLBZAZTESA-N 1 2 346.431 0.468 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@H]21 ZINC001074274687 786565982 /nfs/dbraw/zinc/56/59/82/786565982.db2.gz VTBBYWIKUODWLD-HUUCEWRRSA-N 1 2 346.431 0.878 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@H]21 ZINC001074274687 786565991 /nfs/dbraw/zinc/56/59/91/786565991.db2.gz VTBBYWIKUODWLD-HUUCEWRRSA-N 1 2 346.431 0.878 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C[C@@H]21 ZINC001074281983 786583410 /nfs/dbraw/zinc/58/34/10/786583410.db2.gz KVBIJFSDCFFBBA-HOTGVXAUSA-N 1 2 328.416 0.837 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C[C@@H]21 ZINC001074281983 786583416 /nfs/dbraw/zinc/58/34/16/786583416.db2.gz KVBIJFSDCFFBBA-HOTGVXAUSA-N 1 2 328.416 0.837 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3cc(CC)nn3C)C[C@@H]21 ZINC001074302924 786634716 /nfs/dbraw/zinc/63/47/16/786634716.db2.gz ZKBVOCQSOMGELI-ROUUACIJSA-N 1 2 344.459 0.850 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3cc(CC)nn3C)C[C@@H]21 ZINC001074302924 786634721 /nfs/dbraw/zinc/63/47/21/786634721.db2.gz ZKBVOCQSOMGELI-ROUUACIJSA-N 1 2 344.459 0.850 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3c(C)c(C)n[nH]c3=O)C[C@@H]21 ZINC001074309383 786646327 /nfs/dbraw/zinc/64/63/27/786646327.db2.gz DBUSAJKLWZJVRH-GJZGRUSLSA-N 1 2 344.415 0.738 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3c(C)c(C)n[nH]c3=O)C[C@@H]21 ZINC001074309383 786646331 /nfs/dbraw/zinc/64/63/31/786646331.db2.gz DBUSAJKLWZJVRH-GJZGRUSLSA-N 1 2 344.415 0.738 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]3OCC[N@@H+](CCCO)[C@@H]3C2)cc1 ZINC001074312323 786653262 /nfs/dbraw/zinc/65/32/62/786653262.db2.gz LRLXKPPSLLCZBY-QZTJIDSGSA-N 1 2 328.412 0.966 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]3OCC[N@H+](CCCO)[C@@H]3C2)cc1 ZINC001074312323 786653265 /nfs/dbraw/zinc/65/32/65/786653265.db2.gz LRLXKPPSLLCZBY-QZTJIDSGSA-N 1 2 328.412 0.966 20 30 ECEDLO Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CN(CC#N)CCCO3)ccn12 ZINC001073604098 786754844 /nfs/dbraw/zinc/75/48/44/786754844.db2.gz WZURSXHBVCIFGE-OAHLLOKOSA-N 1 2 327.388 0.987 20 30 ECEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NC[C@H]2CN(CC#N)CCCO2)[nH]n1 ZINC001073605811 786760795 /nfs/dbraw/zinc/76/07/95/786760795.db2.gz VUVJNGJIKHGCGB-BBRMVZONSA-N 1 2 346.435 0.521 20 30 ECEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NC[C@H]2CN(CC#N)CCCO2)[nH]n1 ZINC001073605811 786760801 /nfs/dbraw/zinc/76/08/01/786760801.db2.gz VUVJNGJIKHGCGB-BBRMVZONSA-N 1 2 346.435 0.521 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)C[C@@H]21 ZINC001074364303 786763645 /nfs/dbraw/zinc/76/36/45/786763645.db2.gz VNBBAFPUNJNHKZ-HOTGVXAUSA-N 1 2 346.431 0.755 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)C[C@@H]21 ZINC001074364303 786763652 /nfs/dbraw/zinc/76/36/52/786763652.db2.gz VNBBAFPUNJNHKZ-HOTGVXAUSA-N 1 2 346.431 0.755 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(CC4CC4)nn3)C[C@@H]21 ZINC001074372588 786785547 /nfs/dbraw/zinc/78/55/47/786785547.db2.gz ZNVCMLRUHKDGJQ-IRXDYDNUSA-N 1 2 343.431 0.627 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(CC4CC4)nn3)C[C@@H]21 ZINC001074372588 786785550 /nfs/dbraw/zinc/78/55/50/786785550.db2.gz ZNVCMLRUHKDGJQ-IRXDYDNUSA-N 1 2 343.431 0.627 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(CC)C2)C1 ZINC001073629730 786810373 /nfs/dbraw/zinc/81/03/73/786810373.db2.gz DWLUIUZKVJNCIS-KGLIPLIRSA-N 1 2 343.855 0.814 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(CC)C2)C1 ZINC001073629730 786810385 /nfs/dbraw/zinc/81/03/85/786810385.db2.gz DWLUIUZKVJNCIS-KGLIPLIRSA-N 1 2 343.855 0.814 20 30 ECEDLO C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC001073630249 786813439 /nfs/dbraw/zinc/81/34/39/786813439.db2.gz QDVNRSHKMHGDLM-HUUCEWRRSA-N 1 2 344.477 0.737 20 30 ECEDLO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC001073630249 786813449 /nfs/dbraw/zinc/81/34/49/786813449.db2.gz QDVNRSHKMHGDLM-HUUCEWRRSA-N 1 2 344.477 0.737 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(N(C)C)nn3)C[C@H]21 ZINC001074384526 786818347 /nfs/dbraw/zinc/81/83/47/786818347.db2.gz IFJBQVBXGXIDQD-CVEARBPZSA-N 1 2 343.431 0.481 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(N(C)C)nn3)C[C@H]21 ZINC001074384526 786818354 /nfs/dbraw/zinc/81/83/54/786818354.db2.gz IFJBQVBXGXIDQD-CVEARBPZSA-N 1 2 343.431 0.481 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnn(C)c3OC)C[C@@H]21 ZINC001074393070 786837670 /nfs/dbraw/zinc/83/76/70/786837670.db2.gz VEDUFMDHQMORAN-LSDHHAIUSA-N 1 2 332.404 0.367 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnn(C)c3OC)C[C@@H]21 ZINC001074393070 786837679 /nfs/dbraw/zinc/83/76/79/786837679.db2.gz VEDUFMDHQMORAN-LSDHHAIUSA-N 1 2 332.404 0.367 20 30 ECEDLO C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001074590750 787340247 /nfs/dbraw/zinc/34/02/47/787340247.db2.gz AJWGCAPIJGLSMV-KGLIPLIRSA-N 1 2 347.419 0.464 20 30 ECEDLO C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001074630100 787448084 /nfs/dbraw/zinc/44/80/84/787448084.db2.gz APVVCFASOWLFBY-AWEZNQCLSA-N 1 2 347.419 0.293 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001073904907 787489155 /nfs/dbraw/zinc/48/91/55/787489155.db2.gz PVHZCCXHDRSSQU-LBPRGKRZSA-N 1 2 342.827 0.297 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001073904907 787489159 /nfs/dbraw/zinc/48/91/59/787489159.db2.gz PVHZCCXHDRSSQU-LBPRGKRZSA-N 1 2 342.827 0.297 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001073963476 787594393 /nfs/dbraw/zinc/59/43/93/787594393.db2.gz SKDKYGWYLJLMIL-ZFWWWQNUSA-N 1 2 332.404 0.345 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CCC(O)(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001074717008 787676951 /nfs/dbraw/zinc/67/69/51/787676951.db2.gz UFSPXKSNJNNMPP-QGZVFWFLSA-N 1 2 348.447 0.955 20 30 ECEDLO C=CCCOCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001074029856 787723603 /nfs/dbraw/zinc/72/36/03/787723603.db2.gz LDBLEHTWJDVROZ-UKRRQHHQSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC001074079884 787826501 /nfs/dbraw/zinc/82/65/01/787826501.db2.gz NVLXILUQMLVKCP-DZGCQCFKSA-N 1 2 334.420 0.518 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001074149906 787945883 /nfs/dbraw/zinc/94/58/83/787945883.db2.gz PYAVYMFHPXTNKD-KGLIPLIRSA-N 1 2 334.420 0.898 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001072686881 788593040 /nfs/dbraw/zinc/59/30/40/788593040.db2.gz ZHQXZSBOMAYFBA-JTQLQIEISA-N 1 2 344.209 0.538 20 30 ECEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)[C@@H]3COC(=O)N3)C2)C1 ZINC001072686881 788593045 /nfs/dbraw/zinc/59/30/45/788593045.db2.gz ZHQXZSBOMAYFBA-JTQLQIEISA-N 1 2 344.209 0.538 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC001074990648 788678116 /nfs/dbraw/zinc/67/81/16/788678116.db2.gz JKERBRSRANVIQZ-LSDHHAIUSA-N 1 2 332.404 0.419 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1nncn1C)C2 ZINC001072747951 788706961 /nfs/dbraw/zinc/70/69/61/788706961.db2.gz QRWIPOQQDYPSLH-CABCVRRESA-N 1 2 345.447 0.831 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1nncn1C)C2 ZINC001072747951 788706972 /nfs/dbraw/zinc/70/69/72/788706972.db2.gz QRWIPOQQDYPSLH-CABCVRRESA-N 1 2 345.447 0.831 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001075045666 788792609 /nfs/dbraw/zinc/79/26/09/788792609.db2.gz LXORCLXOSLUCPT-LSDHHAIUSA-N 1 2 332.404 0.419 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)CSCC#N ZINC001075046636 788793994 /nfs/dbraw/zinc/79/39/94/788793994.db2.gz XEHVSGWJBLUSEY-OLZOCXBDSA-N 1 2 335.433 0.636 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001075088873 788887737 /nfs/dbraw/zinc/88/77/37/788887737.db2.gz OGOSZECOAUVNRU-GXTWGEPZSA-N 1 2 334.420 0.959 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001072931462 789131460 /nfs/dbraw/zinc/13/14/60/789131460.db2.gz GSCZDKMKDBJPJU-SNVBAGLBSA-N 1 2 343.225 0.111 20 30 ECEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)[C@H]3CNC(=O)N3)C2)C1 ZINC001072931462 789131465 /nfs/dbraw/zinc/13/14/65/789131465.db2.gz GSCZDKMKDBJPJU-SNVBAGLBSA-N 1 2 343.225 0.111 20 30 ECEDLO CC(C)C#CC(=O)N1CCC(C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001073008040 789266636 /nfs/dbraw/zinc/26/66/36/789266636.db2.gz KUEDQGSGRMXOIX-HNNXBMFYSA-N 1 2 335.448 0.474 20 30 ECEDLO CC(C)C#CC(=O)N1CCC(C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001073008040 789266642 /nfs/dbraw/zinc/26/66/42/789266642.db2.gz KUEDQGSGRMXOIX-HNNXBMFYSA-N 1 2 335.448 0.474 20 30 ECEDLO N#CCN[C@H]1CCO[C@@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001075394625 789320705 /nfs/dbraw/zinc/32/07/05/789320705.db2.gz DXIJGSHGJHNQLY-GOEBONIOSA-N 1 2 331.420 0.852 20 30 ECEDLO C=CCn1cc(C(=O)N2CC3(C2)CC[N@@H+](Cc2nc(C)no2)C3)nn1 ZINC001073042509 789333814 /nfs/dbraw/zinc/33/38/14/789333814.db2.gz BHAXOUPGFMLXKQ-UHFFFAOYSA-N 1 2 343.391 0.504 20 30 ECEDLO C=CCn1cc(C(=O)N2CC3(C2)CC[N@H+](Cc2nc(C)no2)C3)nn1 ZINC001073042509 789333820 /nfs/dbraw/zinc/33/38/20/789333820.db2.gz BHAXOUPGFMLXKQ-UHFFFAOYSA-N 1 2 343.391 0.504 20 30 ECEDLO C=CCCOCC(=O)N1CCC(C)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001073107809 789452855 /nfs/dbraw/zinc/45/28/55/789452855.db2.gz DROLXQCJVQSYHO-UHFFFAOYSA-N 1 2 334.420 0.973 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCCN1c1nccnc1C#N ZINC001069376042 789783870 /nfs/dbraw/zinc/78/38/70/789783870.db2.gz QXYLLYGADAMCFQ-STQMWFEESA-N 1 2 325.376 0.718 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC001073421320 789815375 /nfs/dbraw/zinc/81/53/75/789815375.db2.gz SXSZRPZJGQAZPR-AWEZNQCLSA-N 1 2 334.420 0.829 20 30 ECEDLO C#CCOCCC(=O)NC1(CC)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001069566270 789905463 /nfs/dbraw/zinc/90/54/63/789905463.db2.gz GNQLSWRNYOBLEB-UHFFFAOYSA-N 1 2 346.431 0.880 20 30 ECEDLO C#CCN1CCn2ncc(CNC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)c2C1 ZINC001069872872 790134324 /nfs/dbraw/zinc/13/43/24/790134324.db2.gz GVHFWTNQRSSARX-CQSZACIVSA-N 1 2 338.415 0.791 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1cnn2c1C[N@H+](C[C@@H](C)OC)CC2 ZINC001069876437 790138541 /nfs/dbraw/zinc/13/85/41/790138541.db2.gz XYLAQXLFXAMJFT-UNEWFSDZSA-N 1 2 348.447 0.941 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1cnn2c1C[N@@H+](C[C@@H](C)OC)CC2 ZINC001069876437 790138544 /nfs/dbraw/zinc/13/85/44/790138544.db2.gz XYLAQXLFXAMJFT-UNEWFSDZSA-N 1 2 348.447 0.941 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnn(C3CCC3)c2)[C@@H](n2ccnn2)C1 ZINC001069927159 790198344 /nfs/dbraw/zinc/19/83/44/790198344.db2.gz MCLOBKJVPLPBJE-CVEARBPZSA-N 1 2 339.403 0.488 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(C3CCC3)c2)[C@@H](n2ccnn2)C1 ZINC001069927159 790198348 /nfs/dbraw/zinc/19/83/48/790198348.db2.gz MCLOBKJVPLPBJE-CVEARBPZSA-N 1 2 339.403 0.488 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccnn2[C@H](C)CC)[C@@H](n2ccnn2)C1 ZINC001069939898 790214748 /nfs/dbraw/zinc/21/47/48/790214748.db2.gz ITUUPVZIBOZGSA-FMKPAKJESA-N 1 2 341.419 0.734 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccnn2[C@H](C)CC)[C@@H](n2ccnn2)C1 ZINC001069939898 790214755 /nfs/dbraw/zinc/21/47/55/790214755.db2.gz ITUUPVZIBOZGSA-FMKPAKJESA-N 1 2 341.419 0.734 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc3n(n2)CCC3)[C@@H](n2ccnn2)C1 ZINC001069943353 790220052 /nfs/dbraw/zinc/22/00/52/790220052.db2.gz OKLUKKUHHMVWOG-CABCVRRESA-N 1 2 327.392 0.262 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc3n(n2)CCC3)[C@@H](n2ccnn2)C1 ZINC001069943353 790220057 /nfs/dbraw/zinc/22/00/57/790220057.db2.gz OKLUKKUHHMVWOG-CABCVRRESA-N 1 2 327.392 0.262 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnn3ccc(C)cc23)[C@@H](n2ccnn2)C1 ZINC001069951170 790231596 /nfs/dbraw/zinc/23/15/96/790231596.db2.gz AGGMDGGNUFTEMO-WBVHZDCISA-N 1 2 349.398 0.523 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn3ccc(C)cc23)[C@@H](n2ccnn2)C1 ZINC001069951170 790231602 /nfs/dbraw/zinc/23/16/02/790231602.db2.gz AGGMDGGNUFTEMO-WBVHZDCISA-N 1 2 349.398 0.523 20 30 ECEDLO CC#CCN1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](n2ccnn2)C1 ZINC001069959106 790241300 /nfs/dbraw/zinc/24/13/00/790241300.db2.gz DEIYIAKGJRBQQP-SJORKVTESA-N 1 2 349.398 0.833 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@@H](n2ccnn2)C1 ZINC001069959106 790241306 /nfs/dbraw/zinc/24/13/06/790241306.db2.gz DEIYIAKGJRBQQP-SJORKVTESA-N 1 2 349.398 0.833 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@@H](n2ccnn2)C1 ZINC001069959106 790241312 /nfs/dbraw/zinc/24/13/12/790241312.db2.gz DEIYIAKGJRBQQP-SJORKVTESA-N 1 2 349.398 0.833 20 30 ECEDLO C#CCCN1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069959520 790241515 /nfs/dbraw/zinc/24/15/15/790241515.db2.gz ZVOGUSANGSYWML-OAGGEKHMSA-N 1 2 330.436 0.127 20 30 ECEDLO C#CCCN1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069959520 790241521 /nfs/dbraw/zinc/24/15/21/790241521.db2.gz ZVOGUSANGSYWML-OAGGEKHMSA-N 1 2 330.436 0.127 20 30 ECEDLO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2C)[C@@H](n2ccnn2)C1 ZINC001069959520 790241527 /nfs/dbraw/zinc/24/15/27/790241527.db2.gz ZVOGUSANGSYWML-OAGGEKHMSA-N 1 2 330.436 0.127 20 30 ECEDLO C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2C)[C@@H](n2ccnn2)C1 ZINC001069959520 790241532 /nfs/dbraw/zinc/24/15/32/790241532.db2.gz ZVOGUSANGSYWML-OAGGEKHMSA-N 1 2 330.436 0.127 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1COC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001068821906 791198671 /nfs/dbraw/zinc/19/86/71/791198671.db2.gz RSJXUVDVBFPDKC-HNNXBMFYSA-N 1 2 344.415 0.563 20 30 ECEDLO C#CCCCC(=O)N[C@H]1COC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001068836204 791228305 /nfs/dbraw/zinc/22/83/05/791228305.db2.gz BZQJPYPZYOCPIC-CQSZACIVSA-N 1 2 344.415 0.550 20 30 ECEDLO O=C(C#CC1CC1)N[C@@H]1COC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001068860001 791283967 /nfs/dbraw/zinc/28/39/67/791283967.db2.gz ARXSAJAHXSSKLI-AWEZNQCLSA-N 1 2 342.399 0.242 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](Nc2ccnc(C#N)n2)[C@@H]1C ZINC001068871872 791314789 /nfs/dbraw/zinc/31/47/89/791314789.db2.gz BVXSZRJOILZNQI-NWDGAFQWSA-N 1 2 325.376 0.446 20 30 ECEDLO C#CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)Cc1[nH]cc[nH+]1)CO2 ZINC001068982690 791547198 /nfs/dbraw/zinc/54/71/98/791547198.db2.gz CFECINAMIFNLKI-ZDUSSCGKSA-N 1 2 330.388 0.242 20 30 ECEDLO Cc1cnc(C)nc1N1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001066699201 792022398 /nfs/dbraw/zinc/02/23/98/792022398.db2.gz UCLHOQUUJRSEMM-CZUORRHYSA-N 1 2 342.447 0.976 20 30 ECEDLO CO[C@H](C)C(=O)N1CC[C@H]([NH+]2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001066699501 792024901 /nfs/dbraw/zinc/02/49/01/792024901.db2.gz ZOEHMYIPFZRZAE-HIFRSBDPSA-N 1 2 344.419 0.106 20 30 ECEDLO C[C@@H]1C[C@H]1C(=O)N1CC[C@H]([NH+]2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001066702037 792030881 /nfs/dbraw/zinc/03/08/81/792030881.db2.gz ACPJYDQKGKDIFA-VNQPRFMTSA-N 1 2 340.431 0.727 20 30 ECEDLO N#Cc1ccc(N2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)CC2)nn1 ZINC001066753620 792104229 /nfs/dbraw/zinc/10/42/29/792104229.db2.gz JXEJVUBOWXYNHO-CYBMUJFWSA-N 1 2 325.376 0.720 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1)c1nccnc1C#N ZINC001067748735 792219653 /nfs/dbraw/zinc/21/96/53/792219653.db2.gz FEOXDOQZSGJAHI-ZFWWWQNUSA-N 1 2 344.419 0.106 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1)c1nccnc1C#N ZINC001067748735 792219659 /nfs/dbraw/zinc/21/96/59/792219659.db2.gz FEOXDOQZSGJAHI-ZFWWWQNUSA-N 1 2 344.419 0.106 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1)c1ccc(C#N)nc1 ZINC001067748528 792220371 /nfs/dbraw/zinc/22/03/71/792220371.db2.gz ADHSJECOQHPALS-DLBZAZTESA-N 1 2 343.431 0.711 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1)c1ccc(C#N)nc1 ZINC001067748528 792220381 /nfs/dbraw/zinc/22/03/81/792220381.db2.gz ADHSJECOQHPALS-DLBZAZTESA-N 1 2 343.431 0.711 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1)c1ccnc(C#N)n1 ZINC001067772498 792262254 /nfs/dbraw/zinc/26/22/54/792262254.db2.gz VONUPAGPPKSXOZ-LBPRGKRZSA-N 1 2 325.376 0.741 20 30 ECEDLO C[C@@H]1CCN(c2ccc(C#N)nn2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067966180 792518918 /nfs/dbraw/zinc/51/89/18/792518918.db2.gz WMJMZSNLOLSXBW-TZMCWYRMSA-N 1 2 325.376 0.576 20 30 ECEDLO C[C@@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067994675 792554497 /nfs/dbraw/zinc/55/44/97/792554497.db2.gz YAAVTJFQRPGWOD-YPMHNXCESA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@@H]1C[C@H](CNc2cncc(C#N)n2)CN1C(=O)Cn1cc[nH+]c1 ZINC001068335663 793069906 /nfs/dbraw/zinc/06/99/06/793069906.db2.gz NXJVNSVXVUMAEG-CHWSQXEVSA-N 1 2 325.376 0.894 20 30 ECEDLO C[C@@H]1C[C@@H](CNc2cnc(C#N)cn2)CN1C(=O)Cn1cc[nH+]c1 ZINC001068335864 793071190 /nfs/dbraw/zinc/07/11/90/793071190.db2.gz QYHZUJHISDDTPP-OLZOCXBDSA-N 1 2 325.376 0.894 20 30 ECEDLO C[C@@H]1C[C@H](CNc2cncc(C#N)n2)CN1C(=O)Cc1c[nH+]cn1C ZINC001068336893 793072332 /nfs/dbraw/zinc/07/23/32/793072332.db2.gz HAUFNMWUJGAAPI-CHWSQXEVSA-N 1 2 339.403 0.973 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067405232 793108645 /nfs/dbraw/zinc/10/86/45/793108645.db2.gz FLKXBPILPLHGOZ-JSGCOSHPSA-N 1 2 339.403 0.655 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067407638 793111526 /nfs/dbraw/zinc/11/15/26/793111526.db2.gz JFGPNFUDECTZQX-VXGBXAGGSA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@@H]1CN(c2ccc(C#N)nn2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067441395 793165035 /nfs/dbraw/zinc/16/50/35/793165035.db2.gz YRYVCSAREHSCFZ-RISCZKNCSA-N 1 2 325.376 0.645 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CCOC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001068398211 793213608 /nfs/dbraw/zinc/21/36/08/793213608.db2.gz MKNCRJVJAKRLHE-UHFFFAOYSA-N 1 2 346.431 0.994 20 30 ECEDLO C=CCCC(=O)N1CC2(C1)CN(C(=O)Cc1[nH]c[nH+]c1C)CCO2 ZINC001068420294 793278045 /nfs/dbraw/zinc/27/80/45/793278045.db2.gz LMEAQCOETIIEME-UHFFFAOYSA-N 1 2 332.404 0.667 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCOC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001068436747 793312211 /nfs/dbraw/zinc/31/22/11/793312211.db2.gz QYSUWPLNNJNYGA-UONOGXRCSA-N 1 2 346.431 0.850 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CCOC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001068437697 793313806 /nfs/dbraw/zinc/31/38/06/793313806.db2.gz CTDKRJHVCJDHNM-CQSZACIVSA-N 1 2 346.431 0.994 20 30 ECEDLO CC(C)c1nsc(C[NH2+]CCN(CCO)C(=O)[C@H](C)C#N)n1 ZINC001279673835 837421119 /nfs/dbraw/zinc/42/11/19/837421119.db2.gz YYZRRTCEHBLGEF-LLVKDONJSA-N 1 2 325.438 0.732 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cncnc2)C1 ZINC001267453240 837434372 /nfs/dbraw/zinc/43/43/72/837434372.db2.gz AEBMOLFQBYITKB-HNNXBMFYSA-N 1 2 329.404 0.153 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cncnc2)C1 ZINC001267453240 837434376 /nfs/dbraw/zinc/43/43/76/837434376.db2.gz AEBMOLFQBYITKB-HNNXBMFYSA-N 1 2 329.404 0.153 20 30 ECEDLO CCCN(C(=O)Cc1ccco1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267547078 837741649 /nfs/dbraw/zinc/74/16/49/837741649.db2.gz IKYUPAAMJIVWKO-AWEZNQCLSA-N 1 2 332.404 0.775 20 30 ECEDLO CCCN(C(=O)Cc1ccco1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267547078 837741662 /nfs/dbraw/zinc/74/16/62/837741662.db2.gz IKYUPAAMJIVWKO-AWEZNQCLSA-N 1 2 332.404 0.775 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)C(F)C(F)(F)F)C1 ZINC001267559192 837767598 /nfs/dbraw/zinc/76/75/98/837767598.db2.gz PQQHWPBCUYDYCY-MWLCHTKSSA-N 1 2 338.305 0.355 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)C(F)C(F)(F)F)C1 ZINC001267559192 837767604 /nfs/dbraw/zinc/76/76/04/837767604.db2.gz PQQHWPBCUYDYCY-MWLCHTKSSA-N 1 2 338.305 0.355 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001267559192 837767611 /nfs/dbraw/zinc/76/76/11/837767611.db2.gz PQQHWPBCUYDYCY-MWLCHTKSSA-N 1 2 338.305 0.355 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001267559192 837767614 /nfs/dbraw/zinc/76/76/14/837767614.db2.gz PQQHWPBCUYDYCY-MWLCHTKSSA-N 1 2 338.305 0.355 20 30 ECEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H](C[N@H+](C)Cc2nnnn2C)C1 ZINC001267577935 837833766 /nfs/dbraw/zinc/83/37/66/837833766.db2.gz GNDPFYNLTVVIMN-ZIAGYGMSSA-N 1 2 336.440 0.472 20 30 ECEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H](C[N@@H+](C)Cc2nnnn2C)C1 ZINC001267577935 837833780 /nfs/dbraw/zinc/83/37/80/837833780.db2.gz GNDPFYNLTVVIMN-ZIAGYGMSSA-N 1 2 336.440 0.472 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cc2ccc(F)cc2)C1 ZINC001266248945 835554849 /nfs/dbraw/zinc/55/48/49/835554849.db2.gz RYCWUNDMLJCZGU-MRXNPFEDSA-N 1 2 331.391 0.698 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(F)cc2)C1 ZINC001266248945 835554858 /nfs/dbraw/zinc/55/48/58/835554858.db2.gz RYCWUNDMLJCZGU-MRXNPFEDSA-N 1 2 331.391 0.698 20 30 ECEDLO Cc1nc(C)c(C[NH+]2CCN(CCNC(=O)C#CC3CC3)CC2)o1 ZINC001266283559 835614777 /nfs/dbraw/zinc/61/47/77/835614777.db2.gz RDBAHKIBEQJSAA-UHFFFAOYSA-N 1 2 330.432 0.939 20 30 ECEDLO Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001266296938 835645225 /nfs/dbraw/zinc/64/52/25/835645225.db2.gz JBBIRAIRZPBTJK-CYBMUJFWSA-N 1 2 332.452 0.463 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cccc2c1O[C@@H](C)C2 ZINC001266298480 835653483 /nfs/dbraw/zinc/65/34/83/835653483.db2.gz JLXREKWXNVZMRA-ZDUSSCGKSA-N 1 2 331.416 0.974 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cccc2c1O[C@@H](C)C2 ZINC001266298480 835653486 /nfs/dbraw/zinc/65/34/86/835653486.db2.gz JLXREKWXNVZMRA-ZDUSSCGKSA-N 1 2 331.416 0.974 20 30 ECEDLO C[C@@H](CC(=O)NCC[NH+]1CCN(CC#N)CC1)NC(=O)C1CCCC1 ZINC001266298696 835654477 /nfs/dbraw/zinc/65/44/77/835654477.db2.gz HUYYGQVEDLMSLO-HNNXBMFYSA-N 1 2 349.479 0.329 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[N@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC001266318009 835686524 /nfs/dbraw/zinc/68/65/24/835686524.db2.gz XMIXUPOAKFNCHF-DZGCQCFKSA-N 1 2 344.477 0.329 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[N@@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC001266318009 835686527 /nfs/dbraw/zinc/68/65/27/835686527.db2.gz XMIXUPOAKFNCHF-DZGCQCFKSA-N 1 2 344.477 0.329 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NCC[N@H+](C)CC(=O)N1CCO[C@H](C)C1 ZINC001266320189 835691525 /nfs/dbraw/zinc/69/15/25/835691525.db2.gz BMCIJXGSZDYIGU-PBHICJAKSA-N 1 2 325.453 0.884 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NCC[N@@H+](C)CC(=O)N1CCO[C@H](C)C1 ZINC001266320189 835691530 /nfs/dbraw/zinc/69/15/30/835691530.db2.gz BMCIJXGSZDYIGU-PBHICJAKSA-N 1 2 325.453 0.884 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2cc(C)nnc2CC)C1 ZINC001266327467 835707896 /nfs/dbraw/zinc/70/78/96/835707896.db2.gz FZIMNKXTDUCIKL-KGLIPLIRSA-N 1 2 345.447 0.842 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cc(C)nnc2CC)C1 ZINC001266327467 835707903 /nfs/dbraw/zinc/70/79/03/835707903.db2.gz FZIMNKXTDUCIKL-KGLIPLIRSA-N 1 2 345.447 0.842 20 30 ECEDLO C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001266328094 835709809 /nfs/dbraw/zinc/70/98/09/835709809.db2.gz SWAKOWGEZRVCAQ-UONOGXRCSA-N 1 2 330.450 0.204 20 30 ECEDLO C=CCOCC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001266328094 835709813 /nfs/dbraw/zinc/70/98/13/835709813.db2.gz SWAKOWGEZRVCAQ-UONOGXRCSA-N 1 2 330.450 0.204 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2sc(C)nc2C)C1 ZINC001266331080 835711875 /nfs/dbraw/zinc/71/18/75/835711875.db2.gz LZPDCWZBYQUBGX-ZDUSSCGKSA-N 1 2 334.445 0.242 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2sc(C)nc2C)C1 ZINC001266331080 835711883 /nfs/dbraw/zinc/71/18/83/835711883.db2.gz LZPDCWZBYQUBGX-ZDUSSCGKSA-N 1 2 334.445 0.242 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccc3ncccc32)C1 ZINC001266333834 835717042 /nfs/dbraw/zinc/71/70/42/835717042.db2.gz UUXUQCNWTQDQAE-AWEZNQCLSA-N 1 2 336.395 0.788 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cccc3ncccc32)C1 ZINC001266333834 835717044 /nfs/dbraw/zinc/71/70/44/835717044.db2.gz UUXUQCNWTQDQAE-AWEZNQCLSA-N 1 2 336.395 0.788 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2conc2COC)C1 ZINC001266353671 835756211 /nfs/dbraw/zinc/75/62/11/835756211.db2.gz ZPGGZJANBNJJLY-NWDGAFQWSA-N 1 2 336.392 0.316 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2conc2COC)C1 ZINC001266353671 835756218 /nfs/dbraw/zinc/75/62/18/835756218.db2.gz ZPGGZJANBNJJLY-NWDGAFQWSA-N 1 2 336.392 0.316 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccc(OC)c2OC)C1 ZINC001266356603 835761806 /nfs/dbraw/zinc/76/18/06/835761806.db2.gz VEZKCPSHFARJLT-CYBMUJFWSA-N 1 2 347.415 0.810 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(OC)c2OC)C1 ZINC001266356603 835761819 /nfs/dbraw/zinc/76/18/19/835761819.db2.gz VEZKCPSHFARJLT-CYBMUJFWSA-N 1 2 347.415 0.810 20 30 ECEDLO C[N@H+](CCNC(=O)c1c[nH]c2ccc(F)cc12)CC(=O)NCC#N ZINC001266367854 835779801 /nfs/dbraw/zinc/77/98/01/835779801.db2.gz OESDUIXNQJIAIM-UHFFFAOYSA-N 1 2 331.351 0.608 20 30 ECEDLO C[N@@H+](CCNC(=O)c1c[nH]c2ccc(F)cc12)CC(=O)NCC#N ZINC001266367854 835779809 /nfs/dbraw/zinc/77/98/09/835779809.db2.gz OESDUIXNQJIAIM-UHFFFAOYSA-N 1 2 331.351 0.608 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CCOCC1 ZINC001266484377 835883225 /nfs/dbraw/zinc/88/32/25/835883225.db2.gz YRTIDMDSQWNWFR-BMFZPTHFSA-N 1 2 333.432 0.699 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CCOCC1 ZINC001266484377 835883230 /nfs/dbraw/zinc/88/32/30/835883230.db2.gz YRTIDMDSQWNWFR-BMFZPTHFSA-N 1 2 333.432 0.699 20 30 ECEDLO N#Cc1ccc(C[N@H+](CCNC(=O)[C@H]2CCNC2=O)C2CC2)c(F)c1 ZINC001266604473 836037788 /nfs/dbraw/zinc/03/77/88/836037788.db2.gz GQWQOACGBFAKBE-HNNXBMFYSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(C[N@@H+](CCNC(=O)[C@H]2CCNC2=O)C2CC2)c(F)c1 ZINC001266604473 836037795 /nfs/dbraw/zinc/03/77/95/836037795.db2.gz GQWQOACGBFAKBE-HNNXBMFYSA-N 1 2 344.390 0.914 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(C)nn1C ZINC001266831236 836355767 /nfs/dbraw/zinc/35/57/67/836355767.db2.gz CAHFDJOADFLASU-AWEZNQCLSA-N 1 2 331.420 0.062 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C)nn1C ZINC001266831236 836355780 /nfs/dbraw/zinc/35/57/80/836355780.db2.gz CAHFDJOADFLASU-AWEZNQCLSA-N 1 2 331.420 0.062 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2nnc(OCC)s2)C1 ZINC001267010086 836609057 /nfs/dbraw/zinc/60/90/57/836609057.db2.gz IHOKTLPQHRUPPA-RYUDHWBXSA-N 1 2 338.433 0.666 20 30 ECEDLO C#Cc1cncc(C(=O)NCC[N@@H+](C)CCCS(=O)(=O)CC)c1 ZINC001267216252 837006232 /nfs/dbraw/zinc/00/62/32/837006232.db2.gz UULLAKKKZBNHSJ-UHFFFAOYSA-N 1 2 337.445 0.549 20 30 ECEDLO C#Cc1cncc(C(=O)NCC[N@H+](C)CCCS(=O)(=O)CC)c1 ZINC001267216252 837006241 /nfs/dbraw/zinc/00/62/41/837006241.db2.gz UULLAKKKZBNHSJ-UHFFFAOYSA-N 1 2 337.445 0.549 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cnn2c1C[C@H](C)CC2 ZINC001267227345 837026496 /nfs/dbraw/zinc/02/64/96/837026496.db2.gz MMJKHZPKKHUGPD-CYBMUJFWSA-N 1 2 333.436 0.429 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cnn2c1C[C@H](C)CC2 ZINC001267227345 837026507 /nfs/dbraw/zinc/02/65/07/837026507.db2.gz MMJKHZPKKHUGPD-CYBMUJFWSA-N 1 2 333.436 0.429 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)Cc1c(F)cccc1Cl ZINC001267227218 837028006 /nfs/dbraw/zinc/02/80/06/837028006.db2.gz IAPMPABXJSDPHW-UHFFFAOYSA-N 1 2 339.798 0.819 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)Cc1c(F)cccc1Cl ZINC001267227218 837028009 /nfs/dbraw/zinc/02/80/09/837028009.db2.gz IAPMPABXJSDPHW-UHFFFAOYSA-N 1 2 339.798 0.819 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccnc(C2CC2)c1 ZINC001267270516 837110967 /nfs/dbraw/zinc/11/09/67/837110967.db2.gz KDMJBJYQAWMTPH-HNNXBMFYSA-N 1 2 341.415 0.793 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1ccnc(C2CC2)c1 ZINC001267270516 837110974 /nfs/dbraw/zinc/11/09/74/837110974.db2.gz KDMJBJYQAWMTPH-HNNXBMFYSA-N 1 2 341.415 0.793 20 30 ECEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001267273764 837114959 /nfs/dbraw/zinc/11/49/59/837114959.db2.gz HUSJASHZYKKZKP-JTQLQIEISA-N 1 2 330.226 0.741 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001267273764 837114966 /nfs/dbraw/zinc/11/49/66/837114966.db2.gz HUSJASHZYKKZKP-JTQLQIEISA-N 1 2 330.226 0.741 20 30 ECEDLO C=CCOCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@]1(C)CCCS1(=O)=O ZINC001267277745 837123243 /nfs/dbraw/zinc/12/32/43/837123243.db2.gz AKUFTANSTKRCCY-GDBMZVCRSA-N 1 2 344.477 0.737 20 30 ECEDLO C=CCOCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]1(C)CCCS1(=O)=O ZINC001267277745 837123245 /nfs/dbraw/zinc/12/32/45/837123245.db2.gz AKUFTANSTKRCCY-GDBMZVCRSA-N 1 2 344.477 0.737 20 30 ECEDLO C=CC[NH+]1CCN(CCN(C)C(=O)c2cccc3n[nH]nc32)CC1 ZINC001267607250 837949876 /nfs/dbraw/zinc/94/98/76/837949876.db2.gz BCRZCYARGLYYJV-UHFFFAOYSA-N 1 2 328.420 0.834 20 30 ECEDLO CC(C)C#CC(=O)N(C)CCN1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001267607595 837951297 /nfs/dbraw/zinc/95/12/97/837951297.db2.gz NRSAWWBJLJHAIE-MRXNPFEDSA-N 1 2 348.491 0.389 20 30 ECEDLO C=CCC1(C(=O)N[C@@H]2CCC[N@@H+](CCNS(C)(=O)=O)C2)CCC1 ZINC001267616972 838029865 /nfs/dbraw/zinc/02/98/65/838029865.db2.gz HMVLIZRFMBIUQA-CQSZACIVSA-N 1 2 343.493 0.863 20 30 ECEDLO C=CCC1(C(=O)N[C@@H]2CCC[N@H+](CCNS(C)(=O)=O)C2)CCC1 ZINC001267616972 838029876 /nfs/dbraw/zinc/02/98/76/838029876.db2.gz HMVLIZRFMBIUQA-CQSZACIVSA-N 1 2 343.493 0.863 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)Cc1csc2nccn12 ZINC001267617898 838047350 /nfs/dbraw/zinc/04/73/50/838047350.db2.gz HVFBWMIRMLDPDQ-UHFFFAOYSA-N 1 2 346.460 0.538 20 30 ECEDLO COCC#CC[NH+]1CCN(CCN(C)C(=O)c2nccs2)CC1 ZINC001267618784 838053775 /nfs/dbraw/zinc/05/37/75/838053775.db2.gz SMBIFODHMDPUFQ-UHFFFAOYSA-N 1 2 336.461 0.483 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)CCOC)C1 ZINC001267620449 838059018 /nfs/dbraw/zinc/05/90/18/838059018.db2.gz BAPCBUWMFIAIQL-OLZOCXBDSA-N 1 2 340.424 0.004 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)CCOC)C1 ZINC001267620449 838059029 /nfs/dbraw/zinc/05/90/29/838059029.db2.gz BAPCBUWMFIAIQL-OLZOCXBDSA-N 1 2 340.424 0.004 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2nc(Cl)cs2)C1 ZINC001267689722 838257215 /nfs/dbraw/zinc/25/72/15/838257215.db2.gz PHCKYPRSZMHUBQ-SECBINFHSA-N 1 2 340.836 0.596 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)C(=O)NCC(C)C)C1 ZINC001267694027 838276457 /nfs/dbraw/zinc/27/64/57/838276457.db2.gz YJXWYCXUDHEVDL-BMFZPTHFSA-N 1 2 337.464 0.786 20 30 ECEDLO C#Cc1ccccc1CC(=O)NCC1C[NH+](CC(=O)NCC2CC2)C1 ZINC001267697958 838288353 /nfs/dbraw/zinc/28/83/53/838288353.db2.gz SVSPMBDLPLEKHL-UHFFFAOYSA-N 1 2 339.439 0.785 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)CC(F)(F)C(F)(F)F)C1 ZINC001267701126 838299293 /nfs/dbraw/zinc/29/92/93/838299293.db2.gz WXYZRXRKLWXSHP-UHFFFAOYSA-N 1 2 341.280 0.372 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)CC3CC3)C2)nc1 ZINC001267731953 838422695 /nfs/dbraw/zinc/42/26/95/838422695.db2.gz AJZVHOHPNRHAPK-INIZCTEOSA-N 1 2 340.427 0.735 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)CC3CC3)C2)nc1 ZINC001267731953 838422703 /nfs/dbraw/zinc/42/27/03/838422703.db2.gz AJZVHOHPNRHAPK-INIZCTEOSA-N 1 2 340.427 0.735 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](OCC)c2ccccc2)C1 ZINC001267735154 838430042 /nfs/dbraw/zinc/43/00/42/838430042.db2.gz LYXKIBBXZIHFSS-WMZOPIPTSA-N 1 2 343.427 0.704 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](OCC)c2ccccc2)C1 ZINC001267735154 838430047 /nfs/dbraw/zinc/43/00/47/838430047.db2.gz LYXKIBBXZIHFSS-WMZOPIPTSA-N 1 2 343.427 0.704 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C2(C3CC3)CC2)C1 ZINC001267744183 838446335 /nfs/dbraw/zinc/44/63/35/838446335.db2.gz IARIZHKELRGOPM-GXTWGEPZSA-N 1 2 348.447 0.767 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C2(C3CC3)CC2)C1 ZINC001267744183 838446338 /nfs/dbraw/zinc/44/63/38/838446338.db2.gz IARIZHKELRGOPM-GXTWGEPZSA-N 1 2 348.447 0.767 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccc3[nH]ccc3n2)C1 ZINC001267745238 838450169 /nfs/dbraw/zinc/45/01/69/838450169.db2.gz WWUJJWWXULOEMT-QWHCGFSZSA-N 1 2 339.399 0.505 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc3[nH]ccc3n2)C1 ZINC001267745238 838450173 /nfs/dbraw/zinc/45/01/73/838450173.db2.gz WWUJJWWXULOEMT-QWHCGFSZSA-N 1 2 339.399 0.505 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3nccnc32)C1 ZINC001267750986 838471133 /nfs/dbraw/zinc/47/11/33/838471133.db2.gz LPCONYWXFBNQQA-GFCCVEGCSA-N 1 2 338.371 0.074 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccc3nccnc32)C1 ZINC001267750986 838471140 /nfs/dbraw/zinc/47/11/40/838471140.db2.gz LPCONYWXFBNQQA-GFCCVEGCSA-N 1 2 338.371 0.074 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cc(F)ccc2OC)C1 ZINC001267750799 838472243 /nfs/dbraw/zinc/47/22/43/838472243.db2.gz IGVZRLIFMCIITN-OAHLLOKOSA-N 1 2 349.406 0.870 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc(F)ccc2OC)C1 ZINC001267750799 838472248 /nfs/dbraw/zinc/47/22/48/838472248.db2.gz IGVZRLIFMCIITN-OAHLLOKOSA-N 1 2 349.406 0.870 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCS(C)(=O)=O)C1 ZINC001267771801 838522034 /nfs/dbraw/zinc/52/20/34/838522034.db2.gz NMCOIZJSWLZNKV-KFWWJZLASA-N 1 2 344.477 0.545 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCCS(C)(=O)=O)C1 ZINC001267771801 838522039 /nfs/dbraw/zinc/52/20/39/838522039.db2.gz NMCOIZJSWLZNKV-KFWWJZLASA-N 1 2 344.477 0.545 20 30 ECEDLO CN(C)c1cccc(C(=O)N(C)[C@H]2CC[N@H+](CC(=O)NCC#N)C2)c1 ZINC001267777058 838541408 /nfs/dbraw/zinc/54/14/08/838541408.db2.gz PBRXQMFGPLMUPU-INIZCTEOSA-N 1 2 343.431 0.539 20 30 ECEDLO CN(C)c1cccc(C(=O)N(C)[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)c1 ZINC001267777058 838541411 /nfs/dbraw/zinc/54/14/11/838541411.db2.gz PBRXQMFGPLMUPU-INIZCTEOSA-N 1 2 343.431 0.539 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cncnc2CC)C1 ZINC001267777164 838542846 /nfs/dbraw/zinc/54/28/46/838542846.db2.gz JYWFQFDZWRXMIW-CYBMUJFWSA-N 1 2 331.420 0.488 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cncnc2CC)C1 ZINC001267777164 838542853 /nfs/dbraw/zinc/54/28/53/838542853.db2.gz JYWFQFDZWRXMIW-CYBMUJFWSA-N 1 2 331.420 0.488 20 30 ECEDLO CC(C)C#CC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC001267931360 838813323 /nfs/dbraw/zinc/81/33/23/838813323.db2.gz RMFFENAHGPZKTH-MRXNPFEDSA-N 1 2 335.448 0.522 20 30 ECEDLO CC(C)C#CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC2CCOCC2)C1 ZINC001267931360 838813335 /nfs/dbraw/zinc/81/33/35/838813335.db2.gz RMFFENAHGPZKTH-MRXNPFEDSA-N 1 2 335.448 0.522 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001267955201 838856867 /nfs/dbraw/zinc/85/68/67/838856867.db2.gz MIMVVIGACSTXGU-CYBMUJFWSA-N 1 2 335.408 0.256 20 30 ECEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000428231894 210252238 /nfs/dbraw/zinc/25/22/38/210252238.db2.gz LYHQIFUUKUVCGA-NSHDSACASA-N 1 2 326.397 0.702 20 30 ECEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000428231894 210252244 /nfs/dbraw/zinc/25/22/44/210252244.db2.gz LYHQIFUUKUVCGA-NSHDSACASA-N 1 2 326.397 0.702 20 30 ECEDLO N#Cc1ccc2c(c1)N(C(=O)C(=O)N[C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000427057612 210178227 /nfs/dbraw/zinc/17/82/27/210178227.db2.gz SJANLZWETPLTRU-AWEZNQCLSA-N 1 2 335.367 0.775 20 30 ECEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000425293586 210035942 /nfs/dbraw/zinc/03/59/42/210035942.db2.gz KZJJETNOFFUVQC-QGZVFWFLSA-N 1 2 345.443 0.936 20 30 ECEDLO C[C@@H](CNC(=O)NCCC(=O)N1CCCCC1)[NH+]1CCOCC1 ZINC000328826129 295897559 /nfs/dbraw/zinc/89/75/59/295897559.db2.gz QEJPJUPVAQDLJV-AWEZNQCLSA-N 1 2 326.441 0.613 20 30 ECEDLO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)c1cc(C#N)[nH]c1C ZINC000448943433 291079210 /nfs/dbraw/zinc/07/92/10/291079210.db2.gz NTWWVEIJUKEFFN-UHFFFAOYSA-N 1 2 334.376 0.142 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cn1 ZINC000115383505 201074541 /nfs/dbraw/zinc/07/45/41/201074541.db2.gz JEMFTAMCKSIAKG-UHFFFAOYSA-N 1 2 341.415 0.724 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cn1 ZINC000115383505 201074543 /nfs/dbraw/zinc/07/45/43/201074543.db2.gz JEMFTAMCKSIAKG-UHFFFAOYSA-N 1 2 341.415 0.724 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(COC)cc2)CC1 ZINC000264839359 201212673 /nfs/dbraw/zinc/21/26/73/201212673.db2.gz ALJBCJQYWNNYRB-UHFFFAOYSA-N 1 2 343.427 0.730 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(COC)cc2)CC1 ZINC000264839359 201212676 /nfs/dbraw/zinc/21/26/76/201212676.db2.gz ALJBCJQYWNNYRB-UHFFFAOYSA-N 1 2 343.427 0.730 20 30 ECEDLO C=CC[N@@H+](C[C@H]1CC(C(=O)OC)=C(C)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000270464389 201239067 /nfs/dbraw/zinc/23/90/67/201239067.db2.gz PMDGSNGTJSVNCZ-CHWSQXEVSA-N 1 2 329.418 0.897 20 30 ECEDLO C=CC[N@H+](C[C@H]1CC(C(=O)OC)=C(C)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000270464389 201239069 /nfs/dbraw/zinc/23/90/69/201239069.db2.gz PMDGSNGTJSVNCZ-CHWSQXEVSA-N 1 2 329.418 0.897 20 30 ECEDLO C#CCOc1ccccc1NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000274827118 201271933 /nfs/dbraw/zinc/27/19/33/201271933.db2.gz GIOXTPOOUPOBRB-OAHLLOKOSA-N 1 2 347.415 0.855 20 30 ECEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)CN3CCOCC3)CC2)cc1 ZINC000279143198 201315851 /nfs/dbraw/zinc/31/58/51/201315851.db2.gz ZIKGUTPEKOILMH-UHFFFAOYSA-N 1 2 327.428 0.644 20 30 ECEDLO C[C@H](C(=O)N1CCNC1=O)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108710 203256174 /nfs/dbraw/zinc/25/61/74/203256174.db2.gz AKGPSUGBCGEVPJ-GFCCVEGCSA-N 1 2 328.376 0.016 20 30 ECEDLO CN(CC[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000128963573 205171175 /nfs/dbraw/zinc/17/11/75/205171175.db2.gz JCRYVBAQPFJWFZ-UHFFFAOYSA-N 1 2 334.351 0.426 20 30 ECEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000128972275 205171181 /nfs/dbraw/zinc/17/11/81/205171181.db2.gz MSRXIGASSBDFMH-UHFFFAOYSA-N 1 2 330.388 0.596 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000159588966 206253065 /nfs/dbraw/zinc/25/30/65/206253065.db2.gz FCOPOXNCHFZSLW-NSHDSACASA-N 1 2 326.397 0.702 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000159588966 206253068 /nfs/dbraw/zinc/25/30/68/206253068.db2.gz FCOPOXNCHFZSLW-NSHDSACASA-N 1 2 326.397 0.702 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCc2cccc(C#N)c2)CC1 ZINC000267527113 251129044 /nfs/dbraw/zinc/12/90/44/251129044.db2.gz STJPFJBMRUDJNU-UHFFFAOYSA-N 1 2 329.404 0.649 20 30 ECEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000268824332 252273849 /nfs/dbraw/zinc/27/38/49/252273849.db2.gz AREVVGZFCIEING-LLVKDONJSA-N 1 2 347.400 0.573 20 30 ECEDLO COC(=O)CN1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000411567424 208117486 /nfs/dbraw/zinc/11/74/86/208117486.db2.gz YWGKZINFIZRMCR-MRXNPFEDSA-N 1 2 342.399 0.454 20 30 ECEDLO COC(=O)CN1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000411567418 208118277 /nfs/dbraw/zinc/11/82/77/208118277.db2.gz YWGKZINFIZRMCR-INIZCTEOSA-N 1 2 342.399 0.454 20 30 ECEDLO C[C@@H](O)CNc1cc(N2CCN(c3cccc(C#N)n3)CC2)nc[nH+]1 ZINC000413225826 208299354 /nfs/dbraw/zinc/29/93/54/208299354.db2.gz GOKPMGGJUXHQSS-CYBMUJFWSA-N 1 2 339.403 0.863 20 30 ECEDLO C[C@@H](O)CNc1cc(N2CCN(c3cccc(C#N)n3)CC2)[nH+]cn1 ZINC000413225826 208299359 /nfs/dbraw/zinc/29/93/59/208299359.db2.gz GOKPMGGJUXHQSS-CYBMUJFWSA-N 1 2 339.403 0.863 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000282394325 254553927 /nfs/dbraw/zinc/55/39/27/254553927.db2.gz YDFBCWITXRVGLW-CHWSQXEVSA-N 1 2 340.453 0.187 20 30 ECEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000284518651 254559995 /nfs/dbraw/zinc/55/99/95/254559995.db2.gz JYUHXKWXCYWQTI-GDBMZVCRSA-N 1 2 346.431 0.861 20 30 ECEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000337364616 254668181 /nfs/dbraw/zinc/66/81/81/254668181.db2.gz JLIOJFWEZCQMIO-SCLBCKFNSA-N 1 2 347.463 0.080 20 30 ECEDLO CCOCCNC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000283725201 264146102 /nfs/dbraw/zinc/14/61/02/264146102.db2.gz GYDWCWGJWMDARM-UHFFFAOYSA-N 1 2 344.415 0.355 20 30 ECEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)cc1 ZINC000360300550 270006984 /nfs/dbraw/zinc/00/69/84/270006984.db2.gz WAGVOEUUONIUAR-JSGCOSHPSA-N 1 2 336.417 0.085 20 30 ECEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)cc1 ZINC000360300550 270006985 /nfs/dbraw/zinc/00/69/85/270006985.db2.gz WAGVOEUUONIUAR-JSGCOSHPSA-N 1 2 336.417 0.085 20 30 ECEDLO CCN1CCN(S(=O)(=O)c2ccc(C#N)o2)C[C@H]1c1[nH]cc[nH+]1 ZINC000367809203 270007465 /nfs/dbraw/zinc/00/74/65/270007465.db2.gz JMRUEAFFOWKWCH-LBPRGKRZSA-N 1 2 335.389 0.942 20 30 ECEDLO CC(C)[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000284062835 265905273 /nfs/dbraw/zinc/90/52/73/265905273.db2.gz QLIORFBSANKJBB-MRXNPFEDSA-N 1 2 337.445 0.881 20 30 ECEDLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(C)c(C)c2C#N)CC1 ZINC000298156017 266110769 /nfs/dbraw/zinc/11/07/69/266110769.db2.gz LYYGPXJJLAGONR-UHFFFAOYSA-N 1 2 330.436 0.956 20 30 ECEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000367729947 266153473 /nfs/dbraw/zinc/15/34/73/266153473.db2.gz QVNNMJUHDWZALZ-QGZVFWFLSA-N 1 2 328.416 0.928 20 30 ECEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000367729947 266153476 /nfs/dbraw/zinc/15/34/76/266153476.db2.gz QVNNMJUHDWZALZ-QGZVFWFLSA-N 1 2 328.416 0.928 20 30 ECEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCN2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000378063960 266795185 /nfs/dbraw/zinc/79/51/85/266795185.db2.gz YCUXEFFUSCSALH-ZDUSSCGKSA-N 1 2 344.371 0.524 20 30 ECEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCN2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000378063960 266795189 /nfs/dbraw/zinc/79/51/89/266795189.db2.gz YCUXEFFUSCSALH-ZDUSSCGKSA-N 1 2 344.371 0.524 20 30 ECEDLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000301767195 267128332 /nfs/dbraw/zinc/12/83/32/267128332.db2.gz BRINZCBYCPBFBK-CQSZACIVSA-N 1 2 329.404 0.323 20 30 ECEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000366755747 267138194 /nfs/dbraw/zinc/13/81/94/267138194.db2.gz IYACPBWXYKJNRH-UGFHNGPFSA-N 1 2 328.372 0.475 20 30 ECEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000366755747 267138196 /nfs/dbraw/zinc/13/81/96/267138196.db2.gz IYACPBWXYKJNRH-UGFHNGPFSA-N 1 2 328.372 0.475 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1sccc1C#N ZINC000294301704 267157318 /nfs/dbraw/zinc/15/73/18/267157318.db2.gz NJDHRSFCCRCAFB-LLVKDONJSA-N 1 2 336.417 0.737 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000290187261 267157870 /nfs/dbraw/zinc/15/78/70/267157870.db2.gz GQBNUARQPBXKNW-LLVKDONJSA-N 1 2 334.351 0.473 20 30 ECEDLO C[C@H](Oc1ccccc1C#N)C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000344800979 267202751 /nfs/dbraw/zinc/20/27/51/267202751.db2.gz AMYHJLIFSIYPOT-HNNXBMFYSA-N 1 2 347.415 0.479 20 30 ECEDLO Cc1cc(C#N)cc(N[C@H]2CCCN(CC[NH+]3CCOCC3)C2=O)n1 ZINC000367835537 267305355 /nfs/dbraw/zinc/30/53/55/267305355.db2.gz JISFNEUOFPVNCJ-INIZCTEOSA-N 1 2 343.431 0.997 20 30 ECEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000357080261 267379507 /nfs/dbraw/zinc/37/95/07/267379507.db2.gz YLTOLKYLSDNNRP-CYBMUJFWSA-N 1 2 330.388 0.642 20 30 ECEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000357080261 267379510 /nfs/dbraw/zinc/37/95/10/267379510.db2.gz YLTOLKYLSDNNRP-CYBMUJFWSA-N 1 2 330.388 0.642 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000362841835 267781747 /nfs/dbraw/zinc/78/17/47/267781747.db2.gz WTGKBWQEGDUQMJ-CQSZACIVSA-N 1 2 329.404 0.323 20 30 ECEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@@H](S(N)(=O)=O)C3)C2=O)cc1 ZINC000331479226 268113359 /nfs/dbraw/zinc/11/33/59/268113359.db2.gz QCIJONGLCORUPR-CABCVRRESA-N 1 2 348.428 0.416 20 30 ECEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@@H](S(N)(=O)=O)C3)C2=O)cc1 ZINC000331479226 268113360 /nfs/dbraw/zinc/11/33/60/268113360.db2.gz QCIJONGLCORUPR-CABCVRRESA-N 1 2 348.428 0.416 20 30 ECEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@H]4OCC(=O)N[C@H]4C3)C2=O)cc1 ZINC000366786722 268127099 /nfs/dbraw/zinc/12/70/99/268127099.db2.gz JXFNWEQDWYQBMA-HRCADAONSA-N 1 2 340.383 0.253 20 30 ECEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@H]4OCC(=O)N[C@H]4C3)C2=O)cc1 ZINC000366786722 268127102 /nfs/dbraw/zinc/12/71/02/268127102.db2.gz JXFNWEQDWYQBMA-HRCADAONSA-N 1 2 340.383 0.253 20 30 ECEDLO N#Cc1cc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)ncn1 ZINC000526137629 268184532 /nfs/dbraw/zinc/18/45/32/268184532.db2.gz JFDMLZAMXCTFPI-UHFFFAOYSA-N 1 2 328.420 0.873 20 30 ECEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)NC[C@@H]3CCCO3)C2)nc1 ZINC000292128827 268185262 /nfs/dbraw/zinc/18/52/62/268185262.db2.gz INKSVZQLPLQXFT-GJZGRUSLSA-N 1 2 330.388 0.702 20 30 ECEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)NC[C@@H]3CCCO3)C2)nc1 ZINC000292128827 268185263 /nfs/dbraw/zinc/18/52/63/268185263.db2.gz INKSVZQLPLQXFT-GJZGRUSLSA-N 1 2 330.388 0.702 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)s1 ZINC000333220119 268193912 /nfs/dbraw/zinc/19/39/12/268193912.db2.gz DNBNYKJZXVSQAZ-LBPRGKRZSA-N 1 2 341.458 0.963 20 30 ECEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000363248897 268284812 /nfs/dbraw/zinc/28/48/12/268284812.db2.gz ORDWQFDOGWGUSN-LSDHHAIUSA-N 1 2 335.429 0.778 20 30 ECEDLO N#Cc1cnc2c(F)cc(F)cc2c1N1CC[NH+](CC(N)=O)CC1 ZINC000352315006 268313344 /nfs/dbraw/zinc/31/33/44/268313344.db2.gz MKNJFWTUXMIDQH-UHFFFAOYSA-N 1 2 331.326 0.992 20 30 ECEDLO N#Cc1ncn(CCNC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000286997180 268335787 /nfs/dbraw/zinc/33/57/87/268335787.db2.gz PULGNHVAXJHJBN-UHFFFAOYSA-N 1 2 326.364 0.077 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H]3CCOC(=O)[C@H]32)CC1 ZINC000363746936 280134501 /nfs/dbraw/zinc/13/45/01/280134501.db2.gz RBXOEHZWCOUHEH-ZOBUZTSGSA-N 1 2 348.447 0.316 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H]3CCOC(=O)[C@H]32)CC1 ZINC000363746936 280134504 /nfs/dbraw/zinc/13/45/04/280134504.db2.gz RBXOEHZWCOUHEH-ZOBUZTSGSA-N 1 2 348.447 0.316 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)[C@@H](C)C[N@@H+]1CCO ZINC000416658167 288241032 /nfs/dbraw/zinc/24/10/32/288241032.db2.gz FSOVVYMAQNGQBO-NEPJUHHUSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)[C@@H](C)C[N@H+]1CCO ZINC000416658167 288241033 /nfs/dbraw/zinc/24/10/33/288241033.db2.gz FSOVVYMAQNGQBO-NEPJUHHUSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329924989 289247114 /nfs/dbraw/zinc/24/71/14/289247114.db2.gz HYTFNYDBQQMDQK-PBFPGSCMSA-N 1 2 339.436 0.832 20 30 ECEDLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329924989 289247115 /nfs/dbraw/zinc/24/71/15/289247115.db2.gz HYTFNYDBQQMDQK-PBFPGSCMSA-N 1 2 339.436 0.832 20 30 ECEDLO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2COCCN2CC(F)(F)F)C1 ZINC000329405483 290105788 /nfs/dbraw/zinc/10/57/88/290105788.db2.gz BTVONKHIZKEGKT-MNOVXSKESA-N 1 2 325.331 0.537 20 30 ECEDLO C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2COCCN2CC(F)(F)F)C1 ZINC000329405483 290105791 /nfs/dbraw/zinc/10/57/91/290105791.db2.gz BTVONKHIZKEGKT-MNOVXSKESA-N 1 2 325.331 0.537 20 30 ECEDLO CCN1CCC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1=O ZINC000190233567 437620136 /nfs/dbraw/zinc/62/01/36/437620136.db2.gz GQHMMOLMKPXWQR-INIZCTEOSA-N 1 2 349.479 0.233 20 30 ECEDLO CCN1CCC[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1=O ZINC000190233567 437620143 /nfs/dbraw/zinc/62/01/43/437620143.db2.gz GQHMMOLMKPXWQR-INIZCTEOSA-N 1 2 349.479 0.233 20 30 ECEDLO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000329136219 298244087 /nfs/dbraw/zinc/24/40/87/298244087.db2.gz QXICLQKZXZSUQY-CXAGYDPISA-N 1 2 347.419 0.902 20 30 ECEDLO C[C@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000329136219 298244088 /nfs/dbraw/zinc/24/40/88/298244088.db2.gz QXICLQKZXZSUQY-CXAGYDPISA-N 1 2 347.419 0.902 20 30 ECEDLO C[C@H](CNC(=O)N1CC[C@H](C)S(=O)(=O)CC1)C[NH+]1CCOCC1 ZINC000330325131 298244639 /nfs/dbraw/zinc/24/46/39/298244639.db2.gz UMKGIABIVTUWGF-KGLIPLIRSA-N 1 2 347.481 0.378 20 30 ECEDLO C[C@H](CNC(=O)N1C[C@@H](C)S(=O)(=O)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000329613489 298244907 /nfs/dbraw/zinc/24/49/07/298244907.db2.gz OWBHDARCBNHOGE-MCIONIFRSA-N 1 2 347.481 0.376 20 30 ECEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000022823774 436122162 /nfs/dbraw/zinc/12/21/62/436122162.db2.gz YFSLYSOIUHIGBD-CQSZACIVSA-N 1 2 343.431 0.591 20 30 ECEDLO N#Cc1ccccc1CN1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000023252130 436124150 /nfs/dbraw/zinc/12/41/50/436124150.db2.gz AHPWOFLKIMGWRF-UHFFFAOYSA-N 1 2 328.416 0.535 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2cccc(C(=O)OC)c2)CC1 ZINC000032490039 436239788 /nfs/dbraw/zinc/23/97/88/436239788.db2.gz LZSLEYWRCNWROK-UHFFFAOYSA-N 1 2 331.416 0.893 20 30 ECEDLO CC(C)(C)NC(=O)NC(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029444803 436200294 /nfs/dbraw/zinc/20/02/94/436200294.db2.gz VMKHTWCZQGWSNN-UHFFFAOYSA-N 1 2 344.419 0.700 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(=O)n2ccsc2n1 ZINC000078686658 436275051 /nfs/dbraw/zinc/27/50/51/436275051.db2.gz QACJNDHMKWORLY-UHFFFAOYSA-N 1 2 347.444 0.804 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@]3(CNC(=O)C3)C2)cc1 ZINC000081517182 436348414 /nfs/dbraw/zinc/34/84/14/436348414.db2.gz FGSFCXDRKHSOCT-KRWDZBQOSA-N 1 2 347.440 0.934 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@]3(CNC(=O)C3)C2)cc1 ZINC000081517182 436348417 /nfs/dbraw/zinc/34/84/17/436348417.db2.gz FGSFCXDRKHSOCT-KRWDZBQOSA-N 1 2 347.440 0.934 20 30 ECEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)C[C@@H](O)CN1CCOCC1 ZINC000083245031 436371902 /nfs/dbraw/zinc/37/19/02/436371902.db2.gz BGKVYSCUEHCNGU-MRXNPFEDSA-N 1 2 332.404 0.122 20 30 ECEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)C[C@@H](O)CN1CCOCC1 ZINC000083245031 436371907 /nfs/dbraw/zinc/37/19/07/436371907.db2.gz BGKVYSCUEHCNGU-MRXNPFEDSA-N 1 2 332.404 0.122 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](CCC(F)(F)F)C[C@H](O)CO ZINC000084867147 436385589 /nfs/dbraw/zinc/38/55/89/436385589.db2.gz YXTKHSXILHMRTB-AAEUAGOBSA-N 1 2 339.358 0.648 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](CCC(F)(F)F)C[C@H](O)CO ZINC000084867147 436385594 /nfs/dbraw/zinc/38/55/94/436385594.db2.gz YXTKHSXILHMRTB-AAEUAGOBSA-N 1 2 339.358 0.648 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](S(=O)(=O)NCC)C1 ZINC000092843600 436478776 /nfs/dbraw/zinc/47/87/76/436478776.db2.gz ORTNYTZUZXTQOG-KBPBESRZSA-N 1 2 331.482 0.813 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](S(=O)(=O)NCC)C1 ZINC000092843600 436478779 /nfs/dbraw/zinc/47/87/79/436478779.db2.gz ORTNYTZUZXTQOG-KBPBESRZSA-N 1 2 331.482 0.813 20 30 ECEDLO C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCn2cc[nH+]c2)cc1 ZINC000052649792 436512495 /nfs/dbraw/zinc/51/24/95/436512495.db2.gz LQQBOGIVROGWJV-UHFFFAOYSA-N 1 2 341.371 0.554 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C)cc2O)CC1 ZINC000104133045 436557225 /nfs/dbraw/zinc/55/72/25/436557225.db2.gz RGEADBAVFLVMIA-UHFFFAOYSA-N 1 2 329.400 0.598 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C)cc2O)CC1 ZINC000104133045 436557229 /nfs/dbraw/zinc/55/72/29/436557229.db2.gz RGEADBAVFLVMIA-UHFFFAOYSA-N 1 2 329.400 0.598 20 30 ECEDLO C[C@H](NC(=O)CO[NH+]=C(N)CN1CCOCC1)c1cccs1 ZINC000111182167 436630168 /nfs/dbraw/zinc/63/01/68/436630168.db2.gz UTAGEKIZVXAIEK-NSHDSACASA-N 1 2 326.422 0.546 20 30 ECEDLO C#CCOc1ccccc1C[NH+]1CCN(CC(=O)NCCOC)CC1 ZINC000112145443 436632378 /nfs/dbraw/zinc/63/23/78/436632378.db2.gz DMLNIDRHLPRUGQ-UHFFFAOYSA-N 1 2 345.443 0.579 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2noc3c2CCCC3)CC1 ZINC000112904229 436634603 /nfs/dbraw/zinc/63/46/03/436634603.db2.gz RKRNHJWCNQWSMO-UHFFFAOYSA-N 1 2 344.415 0.451 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2noc3c2CCCC3)CC1 ZINC000112904229 436634604 /nfs/dbraw/zinc/63/46/04/436634604.db2.gz RKRNHJWCNQWSMO-UHFFFAOYSA-N 1 2 344.415 0.451 20 30 ECEDLO Cc1ccccc1CN(C)C(=O)CO[NH+]=C(N)CN1CCOCC1 ZINC000111181571 436629755 /nfs/dbraw/zinc/62/97/55/436629755.db2.gz JCBTXAAFNAYCBY-UHFFFAOYSA-N 1 2 334.420 0.574 20 30 ECEDLO CC(C)C(=O)NCC[N@H+](C)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000535771956 302127425 /nfs/dbraw/zinc/12/74/25/302127425.db2.gz LIIYLEVAOSUDOU-OAHLLOKOSA-N 1 2 342.399 0.894 20 30 ECEDLO CC(C)C(=O)NCC[N@@H+](C)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000535771956 302127427 /nfs/dbraw/zinc/12/74/27/302127427.db2.gz LIIYLEVAOSUDOU-OAHLLOKOSA-N 1 2 342.399 0.894 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000063589809 436644829 /nfs/dbraw/zinc/64/48/29/436644829.db2.gz YJWUBNZBGJDAEM-UHFFFAOYSA-N 1 2 336.413 0.787 20 30 ECEDLO N#Cc1ccc(NC(=O)C[N@H+](CCO)CCN2CCOCC2)cc1 ZINC000119046129 436664226 /nfs/dbraw/zinc/66/42/26/436664226.db2.gz SWSGILGJXFLTLE-UHFFFAOYSA-N 1 2 332.404 0.123 20 30 ECEDLO N#Cc1ccc(NC(=O)C[N@@H+](CCO)CCN2CCOCC2)cc1 ZINC000119046129 436664230 /nfs/dbraw/zinc/66/42/30/436664230.db2.gz SWSGILGJXFLTLE-UHFFFAOYSA-N 1 2 332.404 0.123 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(CC#N)cc2)CC1 ZINC000270293512 436672415 /nfs/dbraw/zinc/67/24/15/436672415.db2.gz MBRYUVWAHVOXLZ-UHFFFAOYSA-N 1 2 338.411 0.650 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(CC#N)cc2)CC1 ZINC000270293512 436672417 /nfs/dbraw/zinc/67/24/17/436672417.db2.gz MBRYUVWAHVOXLZ-UHFFFAOYSA-N 1 2 338.411 0.650 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC000270264380 436672736 /nfs/dbraw/zinc/67/27/36/436672736.db2.gz UXNCUCKDFCUZHW-CQSZACIVSA-N 1 2 331.420 0.589 20 30 ECEDLO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000066437472 436685538 /nfs/dbraw/zinc/68/55/38/436685538.db2.gz CEBWAKKUOYLESI-ZDUSSCGKSA-N 1 2 345.403 0.143 20 30 ECEDLO COC(=O)CNC(=O)[C@H](C)[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000066437472 436685541 /nfs/dbraw/zinc/68/55/41/436685541.db2.gz CEBWAKKUOYLESI-ZDUSSCGKSA-N 1 2 345.403 0.143 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2ccnn2CC)CC1 ZINC000128049050 436811831 /nfs/dbraw/zinc/81/18/31/436811831.db2.gz HNIVDFUPDMBLHH-VOTSOKGWSA-N 1 2 343.431 0.200 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2ccnn2CC)CC1 ZINC000128049050 436811834 /nfs/dbraw/zinc/81/18/34/436811834.db2.gz HNIVDFUPDMBLHH-VOTSOKGWSA-N 1 2 343.431 0.200 20 30 ECEDLO C[C@@H](O)C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)CO ZINC000248871172 436812765 /nfs/dbraw/zinc/81/27/65/436812765.db2.gz BQJBLGPKTKYSQZ-CHWSQXEVSA-N 1 2 326.418 0.396 20 30 ECEDLO C[C@@H](O)C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)CO ZINC000248871172 436812769 /nfs/dbraw/zinc/81/27/69/436812769.db2.gz BQJBLGPKTKYSQZ-CHWSQXEVSA-N 1 2 326.418 0.396 20 30 ECEDLO COCC[NH+](CCOC)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128125564 436812854 /nfs/dbraw/zinc/81/28/54/436812854.db2.gz VCBIOTLYCVEMAU-UHFFFAOYSA-N 1 2 326.418 0.927 20 30 ECEDLO C=CC[N@@H+](C[C@H](O)COCc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000246535798 436781836 /nfs/dbraw/zinc/78/18/36/436781836.db2.gz JQGWRKJIAQLJIR-KBPBESRZSA-N 1 2 329.418 0.832 20 30 ECEDLO C=CC[N@H+](C[C@H](O)COCc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000246535798 436781838 /nfs/dbraw/zinc/78/18/38/436781838.db2.gz JQGWRKJIAQLJIR-KBPBESRZSA-N 1 2 329.418 0.832 20 30 ECEDLO Cc1cc(C)n(C[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CCO2)n1 ZINC000247102410 436789951 /nfs/dbraw/zinc/78/99/51/436789951.db2.gz IHPUIIBAXJLESJ-CVEARBPZSA-N 1 2 333.436 0.961 20 30 ECEDLO Cc1cc(C)n(C[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CCO2)n1 ZINC000247102410 436789952 /nfs/dbraw/zinc/78/99/52/436789952.db2.gz IHPUIIBAXJLESJ-CVEARBPZSA-N 1 2 333.436 0.961 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000155903782 436804951 /nfs/dbraw/zinc/80/49/51/436804951.db2.gz AKHCXTZZLYDQQF-HUUCEWRRSA-N 1 2 348.428 0.287 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000155903782 436804955 /nfs/dbraw/zinc/80/49/55/436804955.db2.gz AKHCXTZZLYDQQF-HUUCEWRRSA-N 1 2 348.428 0.287 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2oc(CC)nc2C)CC1 ZINC000292951637 436838140 /nfs/dbraw/zinc/83/81/40/436838140.db2.gz AQVIJJAMAFGMAB-UHFFFAOYSA-N 1 2 332.404 0.443 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2oc(CC)nc2C)CC1 ZINC000292951637 436838142 /nfs/dbraw/zinc/83/81/42/436838142.db2.gz AQVIJJAMAFGMAB-UHFFFAOYSA-N 1 2 332.404 0.443 20 30 ECEDLO N#Cc1ccc(OC2C[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000158583238 436848096 /nfs/dbraw/zinc/84/80/96/436848096.db2.gz PVTMJUADTZVCKD-CQSZACIVSA-N 1 2 343.343 0.787 20 30 ECEDLO Cn1cc[nH+]c1[C@@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)CCN1C ZINC000279976088 436852938 /nfs/dbraw/zinc/85/29/38/436852938.db2.gz HXDIGDAONOGXLG-WMLDXEAASA-N 1 2 330.436 0.517 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cn1 ZINC000159319390 436856575 /nfs/dbraw/zinc/85/65/75/436856575.db2.gz RVXGPMFLMGICAD-ZDUSSCGKSA-N 1 2 329.385 0.905 20 30 ECEDLO C#CCNC(=O)CC[NH+]1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000293357764 436869612 /nfs/dbraw/zinc/86/96/12/436869612.db2.gz DXMAAGRACIXIOB-UHFFFAOYSA-N 1 2 335.429 0.132 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCO[C@H](c3cccs3)C2)CC1 ZINC000157699921 436832826 /nfs/dbraw/zinc/83/28/26/436832826.db2.gz UWLZYCOOGJWWHU-HNNXBMFYSA-N 1 2 333.457 0.899 20 30 ECEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCc3n[nH]c(=O)cc3C2)C1=O ZINC000274816733 436877508 /nfs/dbraw/zinc/87/75/08/436877508.db2.gz ANIMYAROHXPRJC-ZDUSSCGKSA-N 1 2 341.396 0.867 20 30 ECEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCc3n[nH]c(=O)cc3C2)C1=O ZINC000274816733 436877509 /nfs/dbraw/zinc/87/75/09/436877509.db2.gz ANIMYAROHXPRJC-ZDUSSCGKSA-N 1 2 341.396 0.867 20 30 ECEDLO CC#CCN(C)C(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000293562174 436887911 /nfs/dbraw/zinc/88/79/11/436887911.db2.gz VHAGTEIVAZHSCC-UHFFFAOYSA-N 1 2 330.388 0.647 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC000134544250 436898568 /nfs/dbraw/zinc/89/85/68/436898568.db2.gz ZHWMTEYMWJXVJB-UHFFFAOYSA-N 1 2 325.376 0.706 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2conc2C2CC2)CC1 ZINC000280921832 436934274 /nfs/dbraw/zinc/93/42/74/436934274.db2.gz JNXNDOCVEBMFMR-UHFFFAOYSA-N 1 2 330.388 0.449 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2conc2C2CC2)CC1 ZINC000280921832 436934276 /nfs/dbraw/zinc/93/42/76/436934276.db2.gz JNXNDOCVEBMFMR-UHFFFAOYSA-N 1 2 330.388 0.449 20 30 ECEDLO N#CC1(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCCC1 ZINC000172524539 437017105 /nfs/dbraw/zinc/01/71/05/437017105.db2.gz UZLJRCVQCXLFQZ-HNNXBMFYSA-N 1 2 348.447 0.510 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000264439690 437031207 /nfs/dbraw/zinc/03/12/07/437031207.db2.gz PSQPAYRQOQTSDK-NEPJUHHUSA-N 1 2 340.424 0.986 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000264439690 437031209 /nfs/dbraw/zinc/03/12/09/437031209.db2.gz PSQPAYRQOQTSDK-NEPJUHHUSA-N 1 2 340.424 0.986 20 30 ECEDLO C=CCCCN(C)C(=O)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000284338742 437053533 /nfs/dbraw/zinc/05/35/33/437053533.db2.gz XDDIQGOWRRAHSE-UHFFFAOYSA-N 1 2 346.431 0.959 20 30 ECEDLO CNC(=O)[C@H](NC(=O)CO[NH+]=C(N)[C@@H]1CCCO1)c1ccccc1 ZINC000284378324 437053541 /nfs/dbraw/zinc/05/35/41/437053541.db2.gz LWEDIOGFUZDCKP-GXTWGEPZSA-N 1 2 334.376 0.058 20 30 ECEDLO NC(=[NH+]OCC(=O)NCCOc1cccc(F)c1)[C@H]1CCCO1 ZINC000284522011 437054820 /nfs/dbraw/zinc/05/48/20/437054820.db2.gz UQHJUNAQHKCREO-CYBMUJFWSA-N 1 2 325.340 0.789 20 30 ECEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000299337533 437071144 /nfs/dbraw/zinc/07/11/44/437071144.db2.gz QDKWSCDARDRHPN-UONOGXRCSA-N 1 2 347.440 0.468 20 30 ECEDLO C[NH+](C)C1(C#N)CCN(C(=O)C(=O)N[C@@H]2CCCc3c[nH]nc32)CC1 ZINC000331707842 437147320 /nfs/dbraw/zinc/14/73/20/437147320.db2.gz AUWKQZFPRJFWHE-CYBMUJFWSA-N 1 2 344.419 0.350 20 30 ECEDLO CC[C@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@@H+]1CCOC ZINC000286761917 437128591 /nfs/dbraw/zinc/12/85/91/437128591.db2.gz DWYRYQSQGXPSOO-LBPRGKRZSA-N 1 2 327.406 0.883 20 30 ECEDLO CC[C@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@H+]1CCOC ZINC000286761917 437128594 /nfs/dbraw/zinc/12/85/94/437128594.db2.gz DWYRYQSQGXPSOO-LBPRGKRZSA-N 1 2 327.406 0.883 20 30 ECEDLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000301766594 437130270 /nfs/dbraw/zinc/13/02/70/437130270.db2.gz BRINZCBYCPBFBK-AWEZNQCLSA-N 1 2 329.404 0.323 20 30 ECEDLO CC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000265466924 437136407 /nfs/dbraw/zinc/13/64/07/437136407.db2.gz OKPHFZHBRDIMKK-NVXWUHKLSA-N 1 2 333.388 0.135 20 30 ECEDLO CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000265466924 437136408 /nfs/dbraw/zinc/13/64/08/437136408.db2.gz OKPHFZHBRDIMKK-NVXWUHKLSA-N 1 2 333.388 0.135 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000331655985 437136951 /nfs/dbraw/zinc/13/69/51/437136951.db2.gz OIFMVBWXJCTPKP-WOSRLPQWSA-N 1 2 325.409 0.657 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000331655985 437136954 /nfs/dbraw/zinc/13/69/54/437136954.db2.gz OIFMVBWXJCTPKP-WOSRLPQWSA-N 1 2 325.409 0.657 20 30 ECEDLO CCc1nc(CN2CC[NH+](CC(=O)N(CC)C[C@H](C)C#N)CC2)no1 ZINC000177301288 437178215 /nfs/dbraw/zinc/17/82/15/437178215.db2.gz JQURBKNLOXTMOJ-CQSZACIVSA-N 1 2 348.451 0.758 20 30 ECEDLO COCC(=O)N1CC[NH+](CCOc2ccc(C#N)cc2OC)CC1 ZINC000265793726 437192822 /nfs/dbraw/zinc/19/28/22/437192822.db2.gz AFCMZUMLIODLCN-UHFFFAOYSA-N 1 2 333.388 0.736 20 30 ECEDLO CO[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)C1(C)C ZINC000332448081 437223823 /nfs/dbraw/zinc/22/38/23/437223823.db2.gz GHTZUSFSIIRZIF-OLZOCXBDSA-N 1 2 336.436 0.362 20 30 ECEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3cccc(C#N)c3)C[C@H]21 ZINC000332446540 437224733 /nfs/dbraw/zinc/22/47/33/437224733.db2.gz LGVYMSLJFJRBRY-CABCVRRESA-N 1 2 328.372 0.428 20 30 ECEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3cccc(C#N)c3)C[C@H]21 ZINC000332446540 437224737 /nfs/dbraw/zinc/22/47/37/437224737.db2.gz LGVYMSLJFJRBRY-CABCVRRESA-N 1 2 328.372 0.428 20 30 ECEDLO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328742389 437260076 /nfs/dbraw/zinc/26/00/76/437260076.db2.gz NYPGUTPCLROPED-NWDGAFQWSA-N 1 2 326.422 0.826 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000336953150 437318967 /nfs/dbraw/zinc/31/89/67/437318967.db2.gz WJWYRYNTPCVBDP-SECBINFHSA-N 1 2 339.343 0.871 20 30 ECEDLO O=C(C[N@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1)Nc1nncs1 ZINC000329119431 437320530 /nfs/dbraw/zinc/32/05/30/437320530.db2.gz JSTUDCYBCPHJLK-CQSZACIVSA-N 1 2 339.421 0.575 20 30 ECEDLO O=C(C[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1)Nc1nncs1 ZINC000329119431 437320535 /nfs/dbraw/zinc/32/05/35/437320535.db2.gz JSTUDCYBCPHJLK-CQSZACIVSA-N 1 2 339.421 0.575 20 30 ECEDLO CC(=O)N1CC[C@@H](CN(C)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000328841291 437270846 /nfs/dbraw/zinc/27/08/46/437270846.db2.gz OQBLRQCADBZRIP-HNNXBMFYSA-N 1 2 340.468 0.811 20 30 ECEDLO Cn1cc(C[NH+]2CCN(CC(N)=O)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179895562 437276105 /nfs/dbraw/zinc/27/61/05/437276105.db2.gz GBRDISNLSBMPOA-UHFFFAOYSA-N 1 2 338.415 0.562 20 30 ECEDLO C#CCNc1nc(NC[C@H](O)C2CC2)[nH+]c(NC[C@@H](O)C2CC2)n1 ZINC000288100278 437278165 /nfs/dbraw/zinc/27/81/65/437278165.db2.gz WXDLDAXDIOUWCB-BETUJISGSA-N 1 2 332.408 0.282 20 30 ECEDLO C#CCNc1nc(NC[C@H](O)C2CC2)nc(NC[C@@H](O)C2CC2)[nH+]1 ZINC000288100278 437278171 /nfs/dbraw/zinc/27/81/71/437278171.db2.gz WXDLDAXDIOUWCB-BETUJISGSA-N 1 2 332.408 0.282 20 30 ECEDLO C#CCNc1nc(NC[C@@H](O)C2CC2)nc(NC[C@H](O)C2CC2)[nH+]1 ZINC000288100278 437278177 /nfs/dbraw/zinc/27/81/77/437278177.db2.gz WXDLDAXDIOUWCB-BETUJISGSA-N 1 2 332.408 0.282 20 30 ECEDLO COCCO[C@H]1C[C@H](CO)C[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000278254000 437297022 /nfs/dbraw/zinc/29/70/22/437297022.db2.gz HQDFOADFHPFZHN-RDJZCZTQSA-N 1 2 347.415 0.843 20 30 ECEDLO COCCO[C@H]1C[C@H](CO)C[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000278254000 437297024 /nfs/dbraw/zinc/29/70/24/437297024.db2.gz HQDFOADFHPFZHN-RDJZCZTQSA-N 1 2 347.415 0.843 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C)c(O)c2)CC1 ZINC000180755586 437300737 /nfs/dbraw/zinc/30/07/37/437300737.db2.gz ICZKDKVDOTXFRK-UHFFFAOYSA-N 1 2 329.400 0.598 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C)c(O)c2)CC1 ZINC000180755586 437300740 /nfs/dbraw/zinc/30/07/40/437300740.db2.gz ICZKDKVDOTXFRK-UHFFFAOYSA-N 1 2 329.400 0.598 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000279032527 437365579 /nfs/dbraw/zinc/36/55/79/437365579.db2.gz ASJJXBZCUZRHSO-CQSZACIVSA-N 1 2 344.415 0.467 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000337164969 437338773 /nfs/dbraw/zinc/33/87/73/437338773.db2.gz YHRAQYSYSKXRAE-SOUVJXGZSA-N 1 2 346.497 0.754 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000337164969 437338779 /nfs/dbraw/zinc/33/87/79/437338779.db2.gz YHRAQYSYSKXRAE-SOUVJXGZSA-N 1 2 346.497 0.754 20 30 ECEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000279428308 437407932 /nfs/dbraw/zinc/40/79/32/437407932.db2.gz JXOTZHNMVODTIL-AWEZNQCLSA-N 1 2 344.415 0.984 20 30 ECEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@H]1CCCS(=O)(=O)C1 ZINC000329843959 437420327 /nfs/dbraw/zinc/42/03/27/437420327.db2.gz OGUZOZYODGDZRU-OLZOCXBDSA-N 1 2 338.433 0.741 20 30 ECEDLO Cn1cc(C[NH+]2CCN(C([O-])=[NH+][C@H]3CCc4c[nH]nc4C3)CC2)cn1 ZINC000329861417 437422800 /nfs/dbraw/zinc/42/28/00/437422800.db2.gz QGERHWBIGUVEBO-HNNXBMFYSA-N 1 2 343.435 0.732 20 30 ECEDLO C=CCn1c(-c2cnn(C)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000337808917 437380725 /nfs/dbraw/zinc/38/07/25/437380725.db2.gz JVEIZBQJZNHTAA-UHFFFAOYSA-N 1 2 331.424 0.633 20 30 ECEDLO CC(C)(CNC(=O)NC[C@@H](O)C1CCOCC1)[NH+]1CCOCC1 ZINC000329632685 437394620 /nfs/dbraw/zinc/39/46/20/437394620.db2.gz WWRVWSGKGVXIQG-CQSZACIVSA-N 1 2 329.441 0.388 20 30 ECEDLO C=C(C)CS(=O)(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000184361808 437401921 /nfs/dbraw/zinc/40/19/21/437401921.db2.gz WJQSSEPTAQYRCN-UHFFFAOYSA-N 1 2 329.466 0.522 20 30 ECEDLO C=C(C)CS(=O)(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000184361808 437401924 /nfs/dbraw/zinc/40/19/24/437401924.db2.gz WJQSSEPTAQYRCN-UHFFFAOYSA-N 1 2 329.466 0.522 20 30 ECEDLO CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000330227889 437471179 /nfs/dbraw/zinc/47/11/79/437471179.db2.gz PJPYESAWSKAAGT-OAHLLOKOSA-N 1 2 341.452 0.893 20 30 ECEDLO CN(C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000330236647 437472987 /nfs/dbraw/zinc/47/29/87/437472987.db2.gz ZIWUXIDNUBEFNE-MNOVXSKESA-N 1 2 341.437 0.147 20 30 ECEDLO CN(C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000330236647 437472991 /nfs/dbraw/zinc/47/29/91/437472991.db2.gz ZIWUXIDNUBEFNE-MNOVXSKESA-N 1 2 341.437 0.147 20 30 ECEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186520274 437474866 /nfs/dbraw/zinc/47/48/66/437474866.db2.gz DCVFIMVTNPHHBY-DCAQKATOSA-N 1 2 335.429 0.863 20 30 ECEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186520274 437474868 /nfs/dbraw/zinc/47/48/68/437474868.db2.gz DCVFIMVTNPHHBY-DCAQKATOSA-N 1 2 335.429 0.863 20 30 ECEDLO O=C(NCc1cccnn1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000330254526 437475004 /nfs/dbraw/zinc/47/50/04/437475004.db2.gz PGZGXKSRBHSCDW-HNNXBMFYSA-N 1 2 337.449 0.688 20 30 ECEDLO CSC1(CNC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)CCOCC1 ZINC000329984429 437442065 /nfs/dbraw/zinc/44/20/65/437442065.db2.gz QIZIGTQASGYWJF-STQMWFEESA-N 1 2 329.466 0.827 20 30 ECEDLO CSC1(CNC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)CCOCC1 ZINC000329984429 437442067 /nfs/dbraw/zinc/44/20/67/437442067.db2.gz QIZIGTQASGYWJF-STQMWFEESA-N 1 2 329.466 0.827 20 30 ECEDLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000339245501 437447987 /nfs/dbraw/zinc/44/79/87/437447987.db2.gz IUIRUMHBVAPXGX-INIZCTEOSA-N 1 2 325.372 0.987 20 30 ECEDLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000339245501 437447990 /nfs/dbraw/zinc/44/79/90/437447990.db2.gz IUIRUMHBVAPXGX-INIZCTEOSA-N 1 2 325.372 0.987 20 30 ECEDLO C=CC[C@@H](CO)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000185770275 437451178 /nfs/dbraw/zinc/45/11/78/437451178.db2.gz QKUHFZXGRISAGF-HNNXBMFYSA-N 1 2 346.431 0.564 20 30 ECEDLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)C1 ZINC000330380679 437495738 /nfs/dbraw/zinc/49/57/38/437495738.db2.gz VCZLKRBJCZVKCG-KGLIPLIRSA-N 1 2 332.470 0.269 20 30 ECEDLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)C1 ZINC000330380679 437495742 /nfs/dbraw/zinc/49/57/42/437495742.db2.gz VCZLKRBJCZVKCG-KGLIPLIRSA-N 1 2 332.470 0.269 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000330381632 437496144 /nfs/dbraw/zinc/49/61/44/437496144.db2.gz IJHMTRLQBJGSFL-KBPBESRZSA-N 1 2 332.470 0.365 20 30 ECEDLO COC(=O)[C@]1(C)CN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC000330423493 437506442 /nfs/dbraw/zinc/50/64/42/437506442.db2.gz RCBDXWQCHDFZNH-XJKCOSOUSA-N 1 2 327.425 0.752 20 30 ECEDLO C=CCOCC[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000330438805 437511306 /nfs/dbraw/zinc/51/13/06/437511306.db2.gz SOSTWQRSSKEVSE-HUUCEWRRSA-N 1 2 347.481 0.161 20 30 ECEDLO Cc1c(C(=O)NC[C@@H]2C[N@H+](C)CCO2)cccc1S(N)(=O)=O ZINC000330436329 437511495 /nfs/dbraw/zinc/51/14/95/437511495.db2.gz PGLOGNWCDBMYKZ-LLVKDONJSA-N 1 2 327.406 0.278 20 30 ECEDLO Cc1c(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cccc1S(N)(=O)=O ZINC000330436329 437511498 /nfs/dbraw/zinc/51/14/98/437511498.db2.gz PGLOGNWCDBMYKZ-LLVKDONJSA-N 1 2 327.406 0.278 20 30 ECEDLO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000330443984 437514267 /nfs/dbraw/zinc/51/42/67/437514267.db2.gz GCTQVXGCSDVGKF-OLZOCXBDSA-N 1 2 343.453 0.447 20 30 ECEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000330443984 437514270 /nfs/dbraw/zinc/51/42/70/437514270.db2.gz GCTQVXGCSDVGKF-OLZOCXBDSA-N 1 2 343.453 0.447 20 30 ECEDLO CN(C)c1cc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)ncn1 ZINC000290724721 437520306 /nfs/dbraw/zinc/52/03/06/437520306.db2.gz OWOSNEORCUBLAY-UHFFFAOYSA-N 1 2 347.423 0.622 20 30 ECEDLO COC(=O)C1(O)CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000330612964 437568016 /nfs/dbraw/zinc/56/80/16/437568016.db2.gz YJAIKPJXWKZXJY-DOMZBBRYSA-N 1 2 325.409 0.429 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC[N@@H+]1CCO ZINC000188734399 437570678 /nfs/dbraw/zinc/57/06/78/437570678.db2.gz OKCQKPZHFHTOMO-NSHDSACASA-N 1 2 327.381 0.384 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC[N@H+]1CCO ZINC000188734399 437570684 /nfs/dbraw/zinc/57/06/84/437570684.db2.gz OKCQKPZHFHTOMO-NSHDSACASA-N 1 2 327.381 0.384 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)CN1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000330653757 437579239 /nfs/dbraw/zinc/57/92/39/437579239.db2.gz LKPPWJMNCZMHEQ-QGZVFWFLSA-N 1 2 332.452 0.592 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000330838027 437629549 /nfs/dbraw/zinc/62/95/49/437629549.db2.gz LHAARGQUKNZEQT-BZPMIXESSA-N 1 2 330.454 0.053 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000330838027 437629554 /nfs/dbraw/zinc/62/95/54/437629554.db2.gz LHAARGQUKNZEQT-BZPMIXESSA-N 1 2 330.454 0.053 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000330854027 437633047 /nfs/dbraw/zinc/63/30/47/437633047.db2.gz HAGVTMRVGYWFHJ-NFAWXSAZSA-N 1 2 329.466 0.796 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000330854027 437633050 /nfs/dbraw/zinc/63/30/50/437633050.db2.gz HAGVTMRVGYWFHJ-NFAWXSAZSA-N 1 2 329.466 0.796 20 30 ECEDLO C=CCOC[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)C(=O)OC ZINC000360718346 437635715 /nfs/dbraw/zinc/63/57/15/437635715.db2.gz CNCDGWIYNOWLHQ-CQSZACIVSA-N 1 2 330.344 0.741 20 30 ECEDLO C[C@H](CO)N(C)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330896350 437644675 /nfs/dbraw/zinc/64/46/75/437644675.db2.gz SNMVUUIGVPQYLP-GFCCVEGCSA-N 1 2 335.408 0.327 20 30 ECEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000191229314 437651863 /nfs/dbraw/zinc/65/18/63/437651863.db2.gz LFNSRTAKZVOBHA-YCPHGPKFSA-N 1 2 332.404 0.916 20 30 ECEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000191229314 437651868 /nfs/dbraw/zinc/65/18/68/437651868.db2.gz LFNSRTAKZVOBHA-YCPHGPKFSA-N 1 2 332.404 0.916 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)NCCCCC#N)C1=O ZINC000361116702 437656639 /nfs/dbraw/zinc/65/66/39/437656639.db2.gz VJRCIBUOYNQOKG-CYBMUJFWSA-N 1 2 332.408 0.904 20 30 ECEDLO N#CCNC(=O)[C@H]1CC[C@H](C(=O)NCC#N)[NH+]1Cc1ccccc1 ZINC000354978858 437661430 /nfs/dbraw/zinc/66/14/30/437661430.db2.gz HWJUWRPCWSQYSR-HUUCEWRRSA-N 1 2 325.372 0.299 20 30 ECEDLO CCS(=O)(=O)C[C@H](C)NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000331152762 437699749 /nfs/dbraw/zinc/69/97/49/437699749.db2.gz OUFIHLWWUPWZBZ-KBPBESRZSA-N 1 2 347.481 0.378 20 30 ECEDLO C[C@H](NC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1)C1CCOCC1 ZINC000331222097 437721076 /nfs/dbraw/zinc/72/10/76/437721076.db2.gz CJPYRTCJTWOPRB-GXTWGEPZSA-N 1 2 342.440 0.883 20 30 ECEDLO C[C@H](NC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1)C1CCOCC1 ZINC000331222097 437721081 /nfs/dbraw/zinc/72/10/81/437721081.db2.gz CJPYRTCJTWOPRB-GXTWGEPZSA-N 1 2 342.440 0.883 20 30 ECEDLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1 ZINC000292743892 437716980 /nfs/dbraw/zinc/71/69/80/437716980.db2.gz VSRUBODXLNWPPE-LLVKDONJSA-N 1 2 327.381 0.384 20 30 ECEDLO N#Cc1cc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)ccn1 ZINC000356397955 437763940 /nfs/dbraw/zinc/76/39/40/437763940.db2.gz RSDRAPYFCZZOCJ-MRXNPFEDSA-N 1 2 330.388 0.517 20 30 ECEDLO Cc1oc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)cc1S(N)(=O)=O ZINC000331339585 437742904 /nfs/dbraw/zinc/74/29/04/437742904.db2.gz MLEVPTLLKSNWNT-VIFPVBQESA-N 1 2 331.394 0.261 20 30 ECEDLO Cc1oc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cc1S(N)(=O)=O ZINC000331339585 437742907 /nfs/dbraw/zinc/74/29/07/437742907.db2.gz MLEVPTLLKSNWNT-VIFPVBQESA-N 1 2 331.394 0.261 20 30 ECEDLO C=C(CNc1nc(NCCO)[nH+]c(NC(C)C)n1)c1ccccc1 ZINC000340882548 437753341 /nfs/dbraw/zinc/75/33/41/437753341.db2.gz TUWWMLFMUXQDIM-UHFFFAOYSA-N 1 2 328.420 0.487 20 30 ECEDLO C=C(CNc1nc(NC(C)C)nc(NCCO)[nH+]1)c1ccccc1 ZINC000340882548 437753343 /nfs/dbraw/zinc/75/33/43/437753343.db2.gz TUWWMLFMUXQDIM-UHFFFAOYSA-N 1 2 328.420 0.487 20 30 ECEDLO C=C(CNc1nc(NCCO)nc(NC(C)C)[nH+]1)c1ccccc1 ZINC000340882548 437753346 /nfs/dbraw/zinc/75/33/46/437753346.db2.gz TUWWMLFMUXQDIM-UHFFFAOYSA-N 1 2 328.420 0.487 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000345274972 437786694 /nfs/dbraw/zinc/78/66/94/437786694.db2.gz TYWFBQQQGXIMLE-KBPBESRZSA-N 1 2 330.454 0.262 20 30 ECEDLO C#CCSCCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000370605313 437810214 /nfs/dbraw/zinc/81/02/14/437810214.db2.gz YCKNBYBJMABHNP-INIZCTEOSA-N 1 2 341.477 0.533 20 30 ECEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346450895 437811121 /nfs/dbraw/zinc/81/11/21/437811121.db2.gz XXOXMERUFBNQDS-QWHCGFSZSA-N 1 2 342.465 0.339 20 30 ECEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346450895 437811125 /nfs/dbraw/zinc/81/11/25/437811125.db2.gz XXOXMERUFBNQDS-QWHCGFSZSA-N 1 2 342.465 0.339 20 30 ECEDLO C=CCNC(=O)[C@H](C)N1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000365163082 437868180 /nfs/dbraw/zinc/86/81/80/437868180.db2.gz NUHROKNZFJMOLP-BBRMVZONSA-N 1 2 341.415 0.806 20 30 ECEDLO CCc1nc(C[NH+]2C[C@@H]3CN(c4nccnc4C#N)C[C@H]3C2)no1 ZINC000370771064 437836616 /nfs/dbraw/zinc/83/66/16/437836616.db2.gz HPSPYDWPKWMEIA-VXGBXAGGSA-N 1 2 325.376 0.862 20 30 ECEDLO C=C(C)CN(CC)C(=O)CN1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000370885362 437852761 /nfs/dbraw/zinc/85/27/61/437852761.db2.gz HQMQXHABNPFKEC-UHFFFAOYSA-N 1 2 336.480 0.827 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)CN1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000370881513 437853493 /nfs/dbraw/zinc/85/34/93/437853493.db2.gz OQUZKPALHRMEQV-OAHLLOKOSA-N 1 2 349.479 0.410 20 30 ECEDLO COC(=O)CNC(=O)CC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000371296695 437914300 /nfs/dbraw/zinc/91/43/00/437914300.db2.gz BVSAKYXYADSMAU-HNNXBMFYSA-N 1 2 331.372 0.611 20 30 ECEDLO COC(=O)CNC(=O)CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000371296695 437914305 /nfs/dbraw/zinc/91/43/05/437914305.db2.gz BVSAKYXYADSMAU-HNNXBMFYSA-N 1 2 331.372 0.611 20 30 ECEDLO C=CCCOCCNC(=O)C(=O)N(C)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000342012586 437943193 /nfs/dbraw/zinc/94/31/93/437943193.db2.gz XVMWVODEENYMHC-GJZGRUSLSA-N 1 2 341.452 0.263 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCO[C@@H](CC)C2)CC1 ZINC000371672791 437975273 /nfs/dbraw/zinc/97/52/73/437975273.db2.gz VFJOLWKGFJNHPU-HOTGVXAUSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCO[C@@H](CC)C2)CC1 ZINC000371672791 437975278 /nfs/dbraw/zinc/97/52/78/437975278.db2.gz VFJOLWKGFJNHPU-HOTGVXAUSA-N 1 2 335.448 0.475 20 30 ECEDLO C=CCC1(C(=O)N(CCO)CC[NH+]2CCOCC2)CCOCC1 ZINC000424744117 437988082 /nfs/dbraw/zinc/98/80/82/437988082.db2.gz ULLDFXUXRGRHHN-UHFFFAOYSA-N 1 2 326.437 0.512 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCCc2cccc(C#N)c2)CC1 ZINC000342254575 437990412 /nfs/dbraw/zinc/99/04/12/437990412.db2.gz WHNIDZDQXDXFKB-UHFFFAOYSA-N 1 2 343.431 0.692 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C(C)(C)C2CCOCC2)CC1 ZINC000365581617 437936313 /nfs/dbraw/zinc/93/63/13/437936313.db2.gz PZTTZOWRVYATCK-UHFFFAOYSA-N 1 2 349.475 0.723 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)C2CCOCC2)CC1 ZINC000365581617 437936315 /nfs/dbraw/zinc/93/63/15/437936315.db2.gz PZTTZOWRVYATCK-UHFFFAOYSA-N 1 2 349.475 0.723 20 30 ECEDLO N#CCSc1cccc(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)c1 ZINC000425292193 438020069 /nfs/dbraw/zinc/02/00/69/438020069.db2.gz WNJLGNXIHFNDIV-CQSZACIVSA-N 1 2 335.429 0.725 20 30 ECEDLO CC(C)(C#N)c1ccc(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)cc1 ZINC000425296162 438021081 /nfs/dbraw/zinc/02/10/81/438021081.db2.gz RGBMGBZLUCBKHY-MRXNPFEDSA-N 1 2 331.416 0.911 20 30 ECEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000365941293 437995490 /nfs/dbraw/zinc/99/54/90/437995490.db2.gz NFTHXWCUWMBJHV-HUUCEWRRSA-N 1 2 335.448 0.910 20 30 ECEDLO CN1C(=O)NC2(CC[NH+](CC(=O)Nc3cccc(C#N)c3)CC2)C1=O ZINC000372385975 438081940 /nfs/dbraw/zinc/08/19/40/438081940.db2.gz YEIOSHLJRBMIJL-UHFFFAOYSA-N 1 2 341.371 0.513 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373072325 438126997 /nfs/dbraw/zinc/12/69/97/438126997.db2.gz WNWMZVXJAOXWAM-CYBMUJFWSA-N 1 2 340.449 0.910 20 30 ECEDLO C=CC[N@@H+](C)CCN(CC)[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000429712782 438105145 /nfs/dbraw/zinc/10/51/45/438105145.db2.gz CEKSHMXOAITWCH-GJZGRUSLSA-N 1 2 345.509 0.460 20 30 ECEDLO C=CC[N@H+](C)CCN(CC)[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000429712782 438105149 /nfs/dbraw/zinc/10/51/49/438105149.db2.gz CEKSHMXOAITWCH-GJZGRUSLSA-N 1 2 345.509 0.460 20 30 ECEDLO C=CCN(C)CC[N@@H+](CC)[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000429712782 438105153 /nfs/dbraw/zinc/10/51/53/438105153.db2.gz CEKSHMXOAITWCH-GJZGRUSLSA-N 1 2 345.509 0.460 20 30 ECEDLO C=CCN(C)CC[N@H+](CC)[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000429712782 438105156 /nfs/dbraw/zinc/10/51/56/438105156.db2.gz CEKSHMXOAITWCH-GJZGRUSLSA-N 1 2 345.509 0.460 20 30 ECEDLO CC(C)(C)CC(=O)NCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000349052790 438129894 /nfs/dbraw/zinc/12/98/94/438129894.db2.gz BIOKDJKJWWDZHS-UHFFFAOYSA-N 1 2 338.452 0.613 20 30 ECEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCC(=O)NCC#N)CC1 ZINC000358290090 438194764 /nfs/dbraw/zinc/19/47/64/438194764.db2.gz HLWTXPPEMXBAHA-CYBMUJFWSA-N 1 2 330.392 0.110 20 30 ECEDLO N#C[C@@H]1CN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCO1 ZINC000358294158 438195086 /nfs/dbraw/zinc/19/50/86/438195086.db2.gz BJJPOGFUBFNKOA-UKRRQHHQSA-N 1 2 340.449 0.128 20 30 ECEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCC(=O)NCC#N)CC1 ZINC000358314055 438197983 /nfs/dbraw/zinc/19/79/83/438197983.db2.gz OIMSUPUTGMCDCH-LBPRGKRZSA-N 1 2 335.433 0.776 20 30 ECEDLO C[C@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@@]2(CCCOC2)O1 ZINC000377214538 438305373 /nfs/dbraw/zinc/30/53/73/438305373.db2.gz NJOJZQFIPACHGB-DOTOQJQBSA-N 1 2 334.420 0.912 20 30 ECEDLO C[C@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@@]2(CCCOC2)O1 ZINC000377214538 438305379 /nfs/dbraw/zinc/30/53/79/438305379.db2.gz NJOJZQFIPACHGB-DOTOQJQBSA-N 1 2 334.420 0.912 20 30 ECEDLO CNC(=O)C[N@@H+]1CCCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000368830475 438386182 /nfs/dbraw/zinc/38/61/82/438386182.db2.gz QRFGOUBLAGQTJA-UHFFFAOYSA-N 1 2 329.404 0.250 20 30 ECEDLO CNC(=O)C[N@H+]1CCCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000368830475 438386185 /nfs/dbraw/zinc/38/61/85/438386185.db2.gz QRFGOUBLAGQTJA-UHFFFAOYSA-N 1 2 329.404 0.250 20 30 ECEDLO COCCN(CCC#N)S(=O)(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420694746 438426007 /nfs/dbraw/zinc/42/60/07/438426007.db2.gz CNIFEAGKFJGJOB-UHFFFAOYSA-N 1 2 326.422 0.895 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000368900146 438397992 /nfs/dbraw/zinc/39/79/92/438397992.db2.gz DEVFCPCEOXSMHC-OAHLLOKOSA-N 1 2 336.436 0.462 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000368900146 438397997 /nfs/dbraw/zinc/39/79/97/438397997.db2.gz DEVFCPCEOXSMHC-OAHLLOKOSA-N 1 2 336.436 0.462 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000352571423 438446914 /nfs/dbraw/zinc/44/69/14/438446914.db2.gz UVYDRBTVCKIYQL-CHWSQXEVSA-N 1 2 330.454 0.103 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000352571423 438446919 /nfs/dbraw/zinc/44/69/19/438446919.db2.gz UVYDRBTVCKIYQL-CHWSQXEVSA-N 1 2 330.454 0.103 20 30 ECEDLO CC[C@@H](C(=O)OC)N1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000352665913 438456871 /nfs/dbraw/zinc/45/68/71/438456871.db2.gz GJLRCSNNMJNJKQ-KGLIPLIRSA-N 1 2 336.436 0.507 20 30 ECEDLO CC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000422093890 438516073 /nfs/dbraw/zinc/51/60/73/438516073.db2.gz ZFRFTJAYUYFBLX-UKRRQHHQSA-N 1 2 326.356 0.401 20 30 ECEDLO CC(=O)N[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000422093890 438516074 /nfs/dbraw/zinc/51/60/74/438516074.db2.gz ZFRFTJAYUYFBLX-UKRRQHHQSA-N 1 2 326.356 0.401 20 30 ECEDLO Cc1ncc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc1C#N ZINC000408361347 438560931 /nfs/dbraw/zinc/56/09/31/438560931.db2.gz FKRREFAJPOZIFA-RYUDHWBXSA-N 1 2 338.433 0.337 20 30 ECEDLO Cc1ncc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cc1C#N ZINC000408361347 438560933 /nfs/dbraw/zinc/56/09/33/438560933.db2.gz FKRREFAJPOZIFA-RYUDHWBXSA-N 1 2 338.433 0.337 20 30 ECEDLO C=CCCCN(C)C(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000410633746 438616504 /nfs/dbraw/zinc/61/65/04/438616504.db2.gz STRNJLBOJYQDKY-GASCZTMLSA-N 1 2 325.453 0.979 20 30 ECEDLO C=CCCCN(C)C(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000410633746 438616507 /nfs/dbraw/zinc/61/65/07/438616507.db2.gz STRNJLBOJYQDKY-GASCZTMLSA-N 1 2 325.453 0.979 20 30 ECEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000444700224 438664193 /nfs/dbraw/zinc/66/41/93/438664193.db2.gz FRIJQVQSFRWDMZ-BNOWGMLFSA-N 1 2 335.429 0.914 20 30 ECEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000444700224 438664197 /nfs/dbraw/zinc/66/41/97/438664197.db2.gz FRIJQVQSFRWDMZ-BNOWGMLFSA-N 1 2 335.429 0.914 20 30 ECEDLO C[C@@H](CCC#N)[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000411168372 438670794 /nfs/dbraw/zinc/67/07/94/438670794.db2.gz NTWMKJIQSODQGW-RRFJBIMHSA-N 1 2 344.481 0.650 20 30 ECEDLO COCC1(C#N)CCN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000494192270 438680165 /nfs/dbraw/zinc/68/01/65/438680165.db2.gz PQPFJIFNNUAMKJ-OAHLLOKOSA-N 1 2 336.436 0.811 20 30 ECEDLO COCC1(C#N)CCN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000494192270 438680168 /nfs/dbraw/zinc/68/01/68/438680168.db2.gz PQPFJIFNNUAMKJ-OAHLLOKOSA-N 1 2 336.436 0.811 20 30 ECEDLO COC(=O)[C@H]1CSCC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000412090161 438685660 /nfs/dbraw/zinc/68/56/60/438685660.db2.gz XWMKAGQAOGAQAU-ZIAGYGMSSA-N 1 2 333.413 0.923 20 30 ECEDLO COC(=O)[C@H]1CSCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000412090161 438685663 /nfs/dbraw/zinc/68/56/63/438685663.db2.gz XWMKAGQAOGAQAU-ZIAGYGMSSA-N 1 2 333.413 0.923 20 30 ECEDLO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)C[C@@H]1C ZINC000453647317 438686001 /nfs/dbraw/zinc/68/60/01/438686001.db2.gz RLTUPOQXPRHFPB-AWEZNQCLSA-N 1 2 344.415 0.870 20 30 ECEDLO COCC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)C[C@@H]1C ZINC000453647317 438686004 /nfs/dbraw/zinc/68/60/04/438686004.db2.gz RLTUPOQXPRHFPB-AWEZNQCLSA-N 1 2 344.415 0.870 20 30 ECEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000453737008 438693274 /nfs/dbraw/zinc/69/32/74/438693274.db2.gz MFGAPXRFHPPDRV-AWEZNQCLSA-N 1 2 344.415 0.984 20 30 ECEDLO C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@H](CCc2ccccc2)C1=O ZINC000414108723 438699716 /nfs/dbraw/zinc/69/97/16/438699716.db2.gz MIYQFSBQRQWHCL-HZPDHXFCSA-N 1 2 344.415 0.746 20 30 ECEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@H](CCc2ccccc2)C1=O ZINC000414108723 438699717 /nfs/dbraw/zinc/69/97/17/438699717.db2.gz MIYQFSBQRQWHCL-HZPDHXFCSA-N 1 2 344.415 0.746 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1)C1CC1 ZINC000555591872 438775185 /nfs/dbraw/zinc/77/51/85/438775185.db2.gz DQYJSNYCNXIWBS-HOCLYGCPSA-N 1 2 332.408 0.216 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1)C1CC1 ZINC000555591872 438775188 /nfs/dbraw/zinc/77/51/88/438775188.db2.gz DQYJSNYCNXIWBS-HOCLYGCPSA-N 1 2 332.408 0.216 20 30 ECEDLO N#CC1(CS(=O)(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CCC1 ZINC000558441082 438809077 /nfs/dbraw/zinc/80/90/77/438809077.db2.gz VAEADMYIIXFRGA-AWEZNQCLSA-N 1 2 327.450 0.807 20 30 ECEDLO N#Cc1cccc(N2CCN(C(=O)C3([NH+]4CCOCC4)CC3)CC2)n1 ZINC000601443281 438896610 /nfs/dbraw/zinc/89/66/10/438896610.db2.gz BRPRXXWBUJVLMT-UHFFFAOYSA-N 1 2 341.415 0.467 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000595866450 438873001 /nfs/dbraw/zinc/87/30/01/438873001.db2.gz GZWQOMMKSWIKDH-NOZJJQNGSA-N 1 2 327.331 0.988 20 30 ECEDLO CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)C2=O ZINC000565051705 438909216 /nfs/dbraw/zinc/90/92/16/438909216.db2.gz QUGQCISJIGUKRC-PDOTXMHQSA-N 1 2 349.435 0.447 20 30 ECEDLO CCc1nc(C#N)cc(N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)n1 ZINC000596065849 438920086 /nfs/dbraw/zinc/92/00/86/438920086.db2.gz WBWIJINEKPIBAN-GFCCVEGCSA-N 1 2 328.420 0.700 20 30 ECEDLO C=C[C@@H](C(=O)OC)[N@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000590749091 438953003 /nfs/dbraw/zinc/95/30/03/438953003.db2.gz LFRPDJSBDGRYPX-AWEZNQCLSA-N 1 2 341.433 0.430 20 30 ECEDLO C=C[C@@H](C(=O)OC)[N@@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000590749091 438953005 /nfs/dbraw/zinc/95/30/05/438953005.db2.gz LFRPDJSBDGRYPX-AWEZNQCLSA-N 1 2 341.433 0.430 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)C1(C#N)CC2(CC2)C1 ZINC000601681229 438955337 /nfs/dbraw/zinc/95/53/37/438955337.db2.gz XPLHVXNSOLDFJP-GOSISDBHSA-N 1 2 333.432 0.802 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)C1(C#N)CC2(CC2)C1 ZINC000601681229 438955341 /nfs/dbraw/zinc/95/53/41/438955341.db2.gz XPLHVXNSOLDFJP-GOSISDBHSA-N 1 2 333.432 0.802 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459350606 438961158 /nfs/dbraw/zinc/96/11/58/438961158.db2.gz VNTTYPIBRRGZRZ-UHFFFAOYSA-N 1 2 331.376 0.848 20 30 ECEDLO C[C@@H]1NC(=O)N(CC[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)C1=O ZINC000459374270 438963215 /nfs/dbraw/zinc/96/32/15/438963215.db2.gz JEOWGDCVZIWZCK-GOEBONIOSA-N 1 2 341.415 0.809 20 30 ECEDLO C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)n1)[C@@H](C)[NH+]1CCOCC1 ZINC000579107865 438980648 /nfs/dbraw/zinc/98/06/48/438980648.db2.gz IHJWBOAATKDDME-VXGBXAGGSA-N 1 2 331.376 0.117 20 30 ECEDLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000565894774 438986883 /nfs/dbraw/zinc/98/68/83/438986883.db2.gz MCTSWSGTXWCHEP-ZDUSSCGKSA-N 1 2 338.389 0.980 20 30 ECEDLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000565894774 438986887 /nfs/dbraw/zinc/98/68/87/438986887.db2.gz MCTSWSGTXWCHEP-ZDUSSCGKSA-N 1 2 338.389 0.980 20 30 ECEDLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)CC1 ZINC000602030307 438999212 /nfs/dbraw/zinc/99/92/12/438999212.db2.gz LOUFOODBWZCWKA-LLVKDONJSA-N 1 2 334.351 0.161 20 30 ECEDLO N#CCCN1CCN(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000602080845 439009051 /nfs/dbraw/zinc/00/90/51/439009051.db2.gz QXQXEZPVVVRMKL-UHFFFAOYSA-N 1 2 326.360 0.331 20 30 ECEDLO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2nc3ncccn3n2)cc1 ZINC000566121140 439009354 /nfs/dbraw/zinc/00/93/54/439009354.db2.gz YCXXEFRQOZTBBK-CQSZACIVSA-N 1 2 338.371 0.720 20 30 ECEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000602279939 439056456 /nfs/dbraw/zinc/05/64/56/439056456.db2.gz GIEXHSIALNGTND-DZGCQCFKSA-N 1 2 344.419 0.106 20 30 ECEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000602279939 439056461 /nfs/dbraw/zinc/05/64/61/439056461.db2.gz GIEXHSIALNGTND-DZGCQCFKSA-N 1 2 344.419 0.106 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc2[nH][nH]c(=O)c2c1 ZINC000597022880 439030271 /nfs/dbraw/zinc/03/02/71/439030271.db2.gz QOWBUQAEYBUREG-UHFFFAOYSA-N 1 2 343.387 0.957 20 30 ECEDLO CO[C@H](C[N@H+](CCC#N)CCN1CCOCC1)C1CCOCC1 ZINC000602425594 439084274 /nfs/dbraw/zinc/08/42/74/439084274.db2.gz RJJZZRCNJMLZNM-QGZVFWFLSA-N 1 2 325.453 0.976 20 30 ECEDLO CO[C@H](C[N@@H+](CCC#N)CCN1CCOCC1)C1CCOCC1 ZINC000602425594 439084279 /nfs/dbraw/zinc/08/42/79/439084279.db2.gz RJJZZRCNJMLZNM-QGZVFWFLSA-N 1 2 325.453 0.976 20 30 ECEDLO CO[C@H](CN(CCC#N)CC[NH+]1CCOCC1)C1CCOCC1 ZINC000602425594 439084282 /nfs/dbraw/zinc/08/42/82/439084282.db2.gz RJJZZRCNJMLZNM-QGZVFWFLSA-N 1 2 325.453 0.976 20 30 ECEDLO CCOc1ccc(OCCNC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592148661 439167544 /nfs/dbraw/zinc/16/75/44/439167544.db2.gz YMUYNSQLNDLRQJ-SFHVURJKSA-N 1 2 347.415 0.931 20 30 ECEDLO CCOc1ccc(OCCNC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592148661 439167549 /nfs/dbraw/zinc/16/75/49/439167549.db2.gz YMUYNSQLNDLRQJ-SFHVURJKSA-N 1 2 347.415 0.931 20 30 ECEDLO C[C@H]1C[NH+](CC(=O)NC(=O)NCC(F)(F)F)C[C@H](C)N1CC#N ZINC000602855625 439144986 /nfs/dbraw/zinc/14/49/86/439144986.db2.gz HWNZJGBDXMEAJB-UWVGGRQHSA-N 1 2 335.330 0.293 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)COc2ccccc2C#N)nn1 ZINC000603263927 439222345 /nfs/dbraw/zinc/22/23/45/439222345.db2.gz IYACPHUTLIRHRS-MRXNPFEDSA-N 1 2 325.372 0.703 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000488990231 439210218 /nfs/dbraw/zinc/21/02/18/439210218.db2.gz YFUHDNAGPIWZRH-OAHLLOKOSA-N 1 2 346.431 0.337 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000581978895 439273900 /nfs/dbraw/zinc/27/39/00/439273900.db2.gz DMVBHBBWAUSQMT-QGZVFWFLSA-N 1 2 335.452 0.874 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CO[C@@H]2CCC[C@H](C)C2)CC1 ZINC000490650388 439282327 /nfs/dbraw/zinc/28/23/27/439282327.db2.gz MQTKARVBDSORHO-DLBZAZTESA-N 1 2 349.475 0.865 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CO[C@@H]2CCC[C@H](C)C2)CC1 ZINC000490650388 439282331 /nfs/dbraw/zinc/28/23/31/439282331.db2.gz MQTKARVBDSORHO-DLBZAZTESA-N 1 2 349.475 0.865 20 30 ECEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2C(=O)N2CCSCC2)CCC1 ZINC000526135396 439241703 /nfs/dbraw/zinc/24/17/03/439241703.db2.gz WVGWFWSKKMTBFK-CYBMUJFWSA-N 1 2 336.461 0.589 20 30 ECEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2C(=O)N2CCSCC2)CCC1 ZINC000526135396 439241709 /nfs/dbraw/zinc/24/17/09/439241709.db2.gz WVGWFWSKKMTBFK-CYBMUJFWSA-N 1 2 336.461 0.589 20 30 ECEDLO CC[C@H](C#N)C(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000598362404 439256101 /nfs/dbraw/zinc/25/61/01/439256101.db2.gz AAWDCBIODRNOPS-AEFFLSMTSA-N 1 2 331.416 0.916 20 30 ECEDLO CC[C@H](C#N)C(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000598362404 439256106 /nfs/dbraw/zinc/25/61/06/439256106.db2.gz AAWDCBIODRNOPS-AEFFLSMTSA-N 1 2 331.416 0.916 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(C[S@](C)=O)c2)CC1 ZINC000490924485 439313230 /nfs/dbraw/zinc/31/32/30/439313230.db2.gz PPTJSCMNGVYMIS-QHCPKHFHSA-N 1 2 333.457 0.754 20 30 ECEDLO C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1[nH+]ccn1C ZINC000598776910 439315496 /nfs/dbraw/zinc/31/54/96/439315496.db2.gz PFUVDVNOAKNSAO-LLVKDONJSA-N 1 2 347.400 0.447 20 30 ECEDLO CC(C)(C)OC(=O)NCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000490989902 439321783 /nfs/dbraw/zinc/32/17/83/439321783.db2.gz KNKSLJJBAGOECT-UHFFFAOYSA-N 1 2 340.424 0.586 20 30 ECEDLO C#CC[N@@H+](CC)CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000490854010 439304469 /nfs/dbraw/zinc/30/44/69/439304469.db2.gz XAJPNZWJLBQVTG-LBPRGKRZSA-N 1 2 335.429 0.567 20 30 ECEDLO C#CC[N@H+](CC)CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000490854010 439304473 /nfs/dbraw/zinc/30/44/73/439304473.db2.gz XAJPNZWJLBQVTG-LBPRGKRZSA-N 1 2 335.429 0.567 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CC(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000491164995 439341247 /nfs/dbraw/zinc/34/12/47/439341247.db2.gz HKSKEECTPYXTEX-HZPDHXFCSA-N 1 2 334.464 0.143 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000491210382 439349372 /nfs/dbraw/zinc/34/93/72/439349372.db2.gz SYPDWCXSHRQJJB-BBWFWOEESA-N 1 2 348.491 0.246 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2cccc3c2NC(=O)CO3)CC1 ZINC000491220604 439352008 /nfs/dbraw/zinc/35/20/08/439352008.db2.gz OZGHGQJRLIKJAC-UHFFFAOYSA-N 1 2 329.356 0.174 20 30 ECEDLO C#CC[N@@H+](CC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1)C1CC1 ZINC000491352166 439370136 /nfs/dbraw/zinc/37/01/36/439370136.db2.gz XZWPLWMHZYHUOD-UHFFFAOYSA-N 1 2 335.429 0.939 20 30 ECEDLO C#CC[N@H+](CC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1)C1CC1 ZINC000491352166 439370139 /nfs/dbraw/zinc/37/01/39/439370139.db2.gz XZWPLWMHZYHUOD-UHFFFAOYSA-N 1 2 335.429 0.939 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(c2ncnc3c(C)csc32)CC1 ZINC000491350844 439370264 /nfs/dbraw/zinc/37/02/64/439370264.db2.gz QMTILALMZCYTLW-UHFFFAOYSA-N 1 2 329.429 0.871 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@H](C)C(=O)N(CC)CC(=C)C)CC1 ZINC000491387779 439376320 /nfs/dbraw/zinc/37/63/20/439376320.db2.gz YRLZWKNOJTUNJZ-MRXNPFEDSA-N 1 2 334.464 0.167 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2c3ccccc3CC[C@H]2CCO)CC1 ZINC000491451280 439384268 /nfs/dbraw/zinc/38/42/68/439384268.db2.gz FFXJMDMCVVMSPH-SFHVURJKSA-N 1 2 341.455 0.968 20 30 ECEDLO COC(=O)c1ccc(NCC[NH+]2CCN(C(C)=O)CC2)c(C#N)n1 ZINC000582990174 439407316 /nfs/dbraw/zinc/40/73/16/439407316.db2.gz FEXLKSZAVRILST-UHFFFAOYSA-N 1 2 331.376 0.316 20 30 ECEDLO N#Cc1sccc1S(=O)(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000593572587 439411043 /nfs/dbraw/zinc/41/10/43/439411043.db2.gz PHKLYADHQLXRFI-NWDGAFQWSA-N 1 2 341.458 0.839 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CONC(=O)CCOc2ccccc2)CC1 ZINC000491804714 439455535 /nfs/dbraw/zinc/45/55/35/439455535.db2.gz MTRGQUXXKLJGAK-UHFFFAOYSA-N 1 2 345.399 0.281 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccnn2CC(C)C)CC1 ZINC000491680249 439427083 /nfs/dbraw/zinc/42/70/83/439427083.db2.gz ZHPOMGVJPABSEG-UHFFFAOYSA-N 1 2 345.447 0.436 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccnn2CC(C)C)CC1 ZINC000491680249 439427086 /nfs/dbraw/zinc/42/70/86/439427086.db2.gz ZHPOMGVJPABSEG-UHFFFAOYSA-N 1 2 345.447 0.436 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000570686563 439440773 /nfs/dbraw/zinc/44/07/73/439440773.db2.gz FMGISTWLWTWEHH-YJBOKZPZSA-N 1 2 343.431 0.894 20 30 ECEDLO N#Cc1ccc([C@H](C(N)=O)N2CCC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000570694646 439441635 /nfs/dbraw/zinc/44/16/35/439441635.db2.gz LMZZFMAKEIVGTE-DLBZAZTESA-N 1 2 328.416 0.881 20 30 ECEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@H](N3CCOCC3)C2)cc1 ZINC000570694646 439441643 /nfs/dbraw/zinc/44/16/43/439441643.db2.gz LMZZFMAKEIVGTE-DLBZAZTESA-N 1 2 328.416 0.881 20 30 ECEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@H](N3CCOCC3)C2)cc1 ZINC000570694646 439441650 /nfs/dbraw/zinc/44/16/50/439441650.db2.gz LMZZFMAKEIVGTE-DLBZAZTESA-N 1 2 328.416 0.881 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc3c2OCC(=O)N3)CC1 ZINC000491747186 439441870 /nfs/dbraw/zinc/44/18/70/439441870.db2.gz MVTVHGZAORVYEC-UHFFFAOYSA-N 1 2 328.372 0.207 20 30 ECEDLO C#C[C@H](C)N(C)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000491763760 439443751 /nfs/dbraw/zinc/44/37/51/439443751.db2.gz BVJPFUGKPMNMAM-ZDUSSCGKSA-N 1 2 329.404 0.955 20 30 ECEDLO Cc1cc(C#N)cnc1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000529753433 439452513 /nfs/dbraw/zinc/45/25/13/439452513.db2.gz SAZMFNYOTYLIGX-SFHVURJKSA-N 1 2 344.415 0.607 20 30 ECEDLO Cc1cc(C#N)cnc1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000529753433 439452516 /nfs/dbraw/zinc/45/25/16/439452516.db2.gz SAZMFNYOTYLIGX-SFHVURJKSA-N 1 2 344.415 0.607 20 30 ECEDLO N#CCCN(CCC#N)C(=O)CN1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000599440820 439468274 /nfs/dbraw/zinc/46/82/74/439468274.db2.gz RFOMCXWISSTCJP-UHFFFAOYSA-N 1 2 329.408 0.183 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000599440115 439468458 /nfs/dbraw/zinc/46/84/58/439468458.db2.gz FREXISZVLCQKQK-YOEHRIQHSA-N 1 2 332.452 0.970 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(Cc2cn[nH]c2)CC1 ZINC000599440115 439468462 /nfs/dbraw/zinc/46/84/62/439468462.db2.gz FREXISZVLCQKQK-YOEHRIQHSA-N 1 2 332.452 0.970 20 30 ECEDLO COCCOCC[NH+]1CCN(C(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000593887170 439487611 /nfs/dbraw/zinc/48/76/11/439487611.db2.gz PJITVLBYOVFOPM-UHFFFAOYSA-N 1 2 333.388 0.685 20 30 ECEDLO COCCOCC[NH+]1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000593887865 439488372 /nfs/dbraw/zinc/48/83/72/439488372.db2.gz ZIAWMZSKWDURSJ-UHFFFAOYSA-N 1 2 331.416 0.908 20 30 ECEDLO C=CCc1ccc(OC[C@@H](O)C[NH2+]Cc2nnn(C)n2)c(OC)c1 ZINC000571434149 439502024 /nfs/dbraw/zinc/50/20/24/439502024.db2.gz WGYFYCPWVPFZQI-ZDUSSCGKSA-N 1 2 333.392 0.477 20 30 ECEDLO C[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(F)cc2C#N)CCO1 ZINC000531441176 439509677 /nfs/dbraw/zinc/50/96/77/439509677.db2.gz XKGIGXOKCKNNDT-NSHDSACASA-N 1 2 334.351 0.473 20 30 ECEDLO C[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(F)cc2C#N)CCO1 ZINC000531441176 439509682 /nfs/dbraw/zinc/50/96/82/439509682.db2.gz XKGIGXOKCKNNDT-NSHDSACASA-N 1 2 334.351 0.473 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000533061143 439521911 /nfs/dbraw/zinc/52/19/11/439521911.db2.gz HQZMFGHJSUMPQS-UMVBOHGHSA-N 1 2 344.481 0.443 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000533061143 439521915 /nfs/dbraw/zinc/52/19/15/439521915.db2.gz HQZMFGHJSUMPQS-UMVBOHGHSA-N 1 2 344.481 0.443 20 30 ECEDLO N#Cc1ccc(NCC[NH+]2CCN(C(=O)C3CCC3)CC2)nc1N ZINC000584062980 439545352 /nfs/dbraw/zinc/54/53/52/439545352.db2.gz DOFSXHBHQOSLGQ-UHFFFAOYSA-N 1 2 328.420 0.892 20 30 ECEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000540966519 439551587 /nfs/dbraw/zinc/55/15/87/439551587.db2.gz UAVVFQOVKBGYQZ-NSHDSACASA-N 1 2 330.396 0.723 20 30 ECEDLO COC(=O)[C@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000609137228 439551900 /nfs/dbraw/zinc/55/19/00/439551900.db2.gz XBCKQEQXHPQTPL-GDBMZVCRSA-N 1 2 334.372 0.366 20 30 ECEDLO COC(=O)[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000609137228 439551904 /nfs/dbraw/zinc/55/19/04/439551904.db2.gz XBCKQEQXHPQTPL-GDBMZVCRSA-N 1 2 334.372 0.366 20 30 ECEDLO N#CCN1CCC(NC(=O)N2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000609338230 439568138 /nfs/dbraw/zinc/56/81/38/439568138.db2.gz VMYSCJGRXLSBHL-UHFFFAOYSA-N 1 2 342.447 0.897 20 30 ECEDLO N#Cc1nccc(Nc2ccc(N3CCN(C(=O)C4CC4)CC3)[nH+]c2)n1 ZINC000594549219 439576643 /nfs/dbraw/zinc/57/66/43/439576643.db2.gz BASBXOMHKCHODZ-UHFFFAOYSA-N 1 2 349.398 0.967 20 30 ECEDLO CN1CC[NH+](CCn2cc(COc3ccccc3C#N)nn2)CC1 ZINC000594643724 439584971 /nfs/dbraw/zinc/58/49/71/439584971.db2.gz KBFWGSKNLWVGHK-UHFFFAOYSA-N 1 2 326.404 0.976 20 30 ECEDLO C[N@H+](C[C@@H]1COCCO1)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000594660872 439589125 /nfs/dbraw/zinc/58/91/25/439589125.db2.gz RZHNIRZMAGVXJF-HUUCEWRRSA-N 1 2 329.356 0.537 20 30 ECEDLO C[N@@H+](C[C@@H]1COCCO1)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000594660872 439589130 /nfs/dbraw/zinc/58/91/30/439589130.db2.gz RZHNIRZMAGVXJF-HUUCEWRRSA-N 1 2 329.356 0.537 20 30 ECEDLO CCN1C(=O)[C@@H]2C[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CCN2C1=O ZINC000610605686 439630320 /nfs/dbraw/zinc/63/03/20/439630320.db2.gz TWINEOQXRMYREO-IIYDPXPESA-N 1 2 349.435 0.398 20 30 ECEDLO CCN1C(=O)[C@@H]2C[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CCN2C1=O ZINC000610605686 439630321 /nfs/dbraw/zinc/63/03/21/439630321.db2.gz TWINEOQXRMYREO-IIYDPXPESA-N 1 2 349.435 0.398 20 30 ECEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000600420926 439654136 /nfs/dbraw/zinc/65/41/36/439654136.db2.gz LZACPMBTJHXGCL-WBMJQRKESA-N 1 2 325.409 0.695 20 30 ECEDLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000600420926 439654138 /nfs/dbraw/zinc/65/41/38/439654138.db2.gz LZACPMBTJHXGCL-WBMJQRKESA-N 1 2 325.409 0.695 20 30 ECEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000595156780 439663312 /nfs/dbraw/zinc/66/33/12/439663312.db2.gz XSDFPSMIBCQMER-INIZCTEOSA-N 1 2 342.399 0.738 20 30 ECEDLO C=CCCSCCNC(=O)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000595174717 439668555 /nfs/dbraw/zinc/66/85/55/439668555.db2.gz WFUSNUGDPGAQCM-CQSZACIVSA-N 1 2 343.493 0.591 20 30 ECEDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)NC[C@@H](C)C#N ZINC000611624198 439711882 /nfs/dbraw/zinc/71/18/82/439711882.db2.gz RWDVGBIHKDRAPK-XHDPSFHLSA-N 1 2 340.387 0.985 20 30 ECEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1C(=O)NC[C@H](C)C#N ZINC000611624193 439712037 /nfs/dbraw/zinc/71/20/37/439712037.db2.gz RWDVGBIHKDRAPK-ABAIWWIYSA-N 1 2 340.387 0.985 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cn1c2ccc([N+](=O)[O-])cc2oc1=O ZINC000574015087 439677814 /nfs/dbraw/zinc/67/78/14/439677814.db2.gz ZLEVNSXJRVGIHM-OAHLLOKOSA-N 1 2 347.331 0.463 20 30 ECEDLO COCCN1CC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1=O ZINC000611259533 439684846 /nfs/dbraw/zinc/68/48/46/439684846.db2.gz MQXIZUHOMPQCGQ-MRXNPFEDSA-N 1 2 347.415 0.283 20 30 ECEDLO COCCN1CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1=O ZINC000611259533 439684849 /nfs/dbraw/zinc/68/48/49/439684849.db2.gz MQXIZUHOMPQCGQ-MRXNPFEDSA-N 1 2 347.415 0.283 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccn(C(F)F)n1 ZINC000611413857 439697061 /nfs/dbraw/zinc/69/70/61/439697061.db2.gz AIABXJHZGIWVLW-UHFFFAOYSA-N 1 2 327.335 0.966 20 30 ECEDLO N#C[C@@H]1CCC[C@@H]1NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000613163115 439751706 /nfs/dbraw/zinc/75/17/06/439751706.db2.gz HODCNYRDQSLHJY-GJZGRUSLSA-N 1 2 333.436 0.628 20 30 ECEDLO N#Cc1cccc(N2CC[NH+](CC[C@@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000612830888 439743130 /nfs/dbraw/zinc/74/31/30/439743130.db2.gz IWUIWCPIBUOROM-CQSZACIVSA-N 1 2 334.445 0.900 20 30 ECEDLO C=CCOCCCNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000658419007 439924361 /nfs/dbraw/zinc/92/43/61/439924361.db2.gz ZYPDLINILSWVQU-UHFFFAOYSA-N 1 2 332.404 0.439 20 30 ECEDLO C=CCn1cc(C(=O)NCC2([NH+]3CCOCC3)CC(OCC)C2)nn1 ZINC000648372327 440285359 /nfs/dbraw/zinc/28/53/59/440285359.db2.gz CPARQOQPROWZMB-UHFFFAOYSA-N 1 2 349.435 0.464 20 30 ECEDLO C=C(C)[C@H](CO)[NH+]1CCN(S(=O)(=O)NCc2ccccc2)CC1 ZINC000649723681 440533584 /nfs/dbraw/zinc/53/35/84/440533584.db2.gz XVQOJSPTKYHBIV-INIZCTEOSA-N 1 2 339.461 0.576 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000666268777 440608972 /nfs/dbraw/zinc/60/89/72/440608972.db2.gz PPKAGCQKIUZYKR-HNNXBMFYSA-N 1 2 338.452 0.128 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000666268777 440608976 /nfs/dbraw/zinc/60/89/76/440608976.db2.gz PPKAGCQKIUZYKR-HNNXBMFYSA-N 1 2 338.452 0.128 20 30 ECEDLO C=C[C@H](CO)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000662110691 440971517 /nfs/dbraw/zinc/97/15/17/440971517.db2.gz BEYFIKSKCJGQRH-SJORKVTESA-N 1 2 332.448 0.649 20 30 ECEDLO C=C[C@H](CO)NC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000662110691 440971522 /nfs/dbraw/zinc/97/15/22/440971522.db2.gz BEYFIKSKCJGQRH-SJORKVTESA-N 1 2 332.448 0.649 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)NCCOc2ccccc2)nn1 ZINC000640845067 441005412 /nfs/dbraw/zinc/00/54/12/441005412.db2.gz LRAQKYBVKDRSLT-UHFFFAOYSA-N 1 2 327.388 0.586 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCCN(c3cnn(C)c3)C2=O)nn1 ZINC000641054677 441051415 /nfs/dbraw/zinc/05/14/15/441051415.db2.gz LKTTUGQMHATKPY-HNNXBMFYSA-N 1 2 327.392 0.493 20 30 ECEDLO COc1cc(C#N)ccc1NC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000546710230 322120442 /nfs/dbraw/zinc/12/04/42/322120442.db2.gz YTUHCXWDZNUHSK-LBPRGKRZSA-N 1 2 346.387 0.342 20 30 ECEDLO COc1cc(C#N)ccc1NC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000546710230 322120444 /nfs/dbraw/zinc/12/04/44/322120444.db2.gz YTUHCXWDZNUHSK-LBPRGKRZSA-N 1 2 346.387 0.342 20 30 ECEDLO Cc1nn(C)cc1Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000563440967 322319588 /nfs/dbraw/zinc/31/95/88/322319588.db2.gz UEYYWPKYPFGJRD-UHFFFAOYSA-N 1 2 327.388 0.642 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCC(CS(N)(=O)=O)CC2)c([N+](=O)[O-])c1 ZINC000567986620 322608641 /nfs/dbraw/zinc/60/86/41/322608641.db2.gz ZBOIKQLRHOHNNG-UHFFFAOYSA-N 1 2 338.389 0.967 20 30 ECEDLO CN(C)c1noc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)n1 ZINC000574446929 322779396 /nfs/dbraw/zinc/77/93/96/322779396.db2.gz PISMJMHINKXOGI-UHFFFAOYSA-N 1 2 344.375 0.049 20 30 ECEDLO C[C@H]([C@H](C)NC(=O)C(=O)Nc1cccc(C#N)n1)[NH+]1CCOCC1 ZINC000579107863 322885940 /nfs/dbraw/zinc/88/59/40/322885940.db2.gz IHJWBOAATKDDME-NWDGAFQWSA-N 1 2 331.376 0.117 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001078027634 782169166 /nfs/dbraw/zinc/16/91/66/782169166.db2.gz AHPJPDSLWHGAFT-GNXSNYGWSA-N 1 2 335.791 0.621 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001078027634 782169169 /nfs/dbraw/zinc/16/91/69/782169169.db2.gz AHPJPDSLWHGAFT-GNXSNYGWSA-N 1 2 335.791 0.621 20 30 ECEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccn(-c4cccc(C#N)c4)n3)C[C@@H]21 ZINC000328642801 546002427 /nfs/dbraw/zinc/00/24/27/546002427.db2.gz ACVGPKKSNLMODT-IRXDYDNUSA-N 1 2 337.383 0.899 20 30 ECEDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccn(-c4cccc(C#N)c4)n3)C[C@@H]21 ZINC000328642801 546002431 /nfs/dbraw/zinc/00/24/31/546002431.db2.gz ACVGPKKSNLMODT-IRXDYDNUSA-N 1 2 337.383 0.899 20 30 ECEDLO C[C@H](NC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C(=O)N1CCS(=O)(=O)CC1 ZINC000329648877 546031173 /nfs/dbraw/zinc/03/11/73/546031173.db2.gz JKLKFOBREKRKPI-UPJWGTAASA-N 1 2 345.465 0.461 20 30 ECEDLO C=C[C@@H](C(=O)OC)N1CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000619716236 546363409 /nfs/dbraw/zinc/36/34/09/546363409.db2.gz BSNJNOPXGJZJEQ-INIZCTEOSA-N 1 2 343.427 0.921 20 30 ECEDLO C=C[C@@H](O)C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000667834325 547561178 /nfs/dbraw/zinc/56/11/78/547561178.db2.gz QURYLPPZYWGJEY-OAHLLOKOSA-N 1 2 330.388 0.923 20 30 ECEDLO CC#CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000682281329 549381258 /nfs/dbraw/zinc/38/12/58/549381258.db2.gz AISMZAWCHIJTCV-UHFFFAOYSA-N 1 2 342.399 0.152 20 30 ECEDLO C#CCNC(=O)C[NH2+][C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000750057471 579346775 /nfs/dbraw/zinc/34/67/75/579346775.db2.gz NQWYGLJEBWWTBA-CQSZACIVSA-N 1 2 327.306 0.745 20 30 ECEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCn2ncnn2)CC1=O ZINC000752721277 579389819 /nfs/dbraw/zinc/38/98/19/579389819.db2.gz CPNLVGZUSIRJAO-UHFFFAOYSA-N 1 2 338.375 0.333 20 30 ECEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000755311146 579432052 /nfs/dbraw/zinc/43/20/52/579432052.db2.gz XPKQCFOOMGHMHC-ZDUSSCGKSA-N 1 2 346.387 0.052 20 30 ECEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000755953511 579442312 /nfs/dbraw/zinc/44/23/12/579442312.db2.gz AGWKGXYBHZTHAT-UPCLLVRISA-N 1 2 349.456 0.768 20 30 ECEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cn2cccc(C#N)c2=O)CC1 ZINC000758236920 579469399 /nfs/dbraw/zinc/46/93/99/579469399.db2.gz NKIJODLPYGOLBV-OAHLLOKOSA-N 1 2 343.431 0.306 20 30 ECEDLO C[C@H]([C@H](C)NC(=O)NCCNc1ncccc1C#N)[NH+]1CCOCC1 ZINC000729603385 578297273 /nfs/dbraw/zinc/29/72/73/578297273.db2.gz GRRJPAUKKUKKCV-UONOGXRCSA-N 1 2 346.435 0.774 20 30 ECEDLO C#Cc1ccc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)nc1 ZINC000731336118 578312303 /nfs/dbraw/zinc/31/23/03/578312303.db2.gz NQKYXMWNIXRQSH-UHFFFAOYSA-N 1 2 325.372 0.844 20 30 ECEDLO N#CCCNC(=O)C[N@@H+](CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000731847633 578315795 /nfs/dbraw/zinc/31/57/95/578315795.db2.gz YXAVUDCMCUACRC-UHFFFAOYSA-N 1 2 341.415 0.756 20 30 ECEDLO N#CCCNC(=O)C[N@H+](CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000731847633 578315796 /nfs/dbraw/zinc/31/57/96/578315796.db2.gz YXAVUDCMCUACRC-UHFFFAOYSA-N 1 2 341.415 0.756 20 30 ECEDLO CNC(=O)CNC(=S)N[NH+]=Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000731927891 578317740 /nfs/dbraw/zinc/31/77/40/578317740.db2.gz WTTIOCZOQVXMPQ-LBPRGKRZSA-N 1 2 349.460 0.456 20 30 ECEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732811316 578329976 /nfs/dbraw/zinc/32/99/76/578329976.db2.gz SLOCFNJMAMTYHH-RISCZKNCSA-N 1 2 346.353 0.890 20 30 ECEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732811316 578329977 /nfs/dbraw/zinc/32/99/77/578329977.db2.gz SLOCFNJMAMTYHH-RISCZKNCSA-N 1 2 346.353 0.890 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000733161765 578333093 /nfs/dbraw/zinc/33/30/93/578333093.db2.gz YVWWXILDQFUHJR-UHFFFAOYSA-N 1 2 335.429 0.328 20 30 ECEDLO C=CCNC(=O)NC(=O)COC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000735956916 578400998 /nfs/dbraw/zinc/40/09/98/578400998.db2.gz JVRZMOMYXVXOPQ-ZDUSSCGKSA-N 1 2 345.399 0.988 20 30 ECEDLO C=CCNC(=O)NC(=O)COC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000735956916 578400999 /nfs/dbraw/zinc/40/09/99/578400999.db2.gz JVRZMOMYXVXOPQ-ZDUSSCGKSA-N 1 2 345.399 0.988 20 30 ECEDLO Cn1nnc2cc(C=NNC(=S)NCC[NH+]3CCOCC3)ccc21 ZINC000737416555 578496028 /nfs/dbraw/zinc/49/60/28/578496028.db2.gz DTKZBGFWJDXMCC-UHFFFAOYSA-N 1 2 347.448 0.099 20 30 ECEDLO CN(C[C@@H]1CCC[N@H+](Cn2cccc(C#N)c2=O)C1)S(C)(=O)=O ZINC000795650876 578618098 /nfs/dbraw/zinc/61/80/98/578618098.db2.gz GJWYTFQMTDULSW-ZDUSSCGKSA-N 1 2 338.433 0.281 20 30 ECEDLO CN(C[C@@H]1CCC[N@@H+](Cn2cccc(C#N)c2=O)C1)S(C)(=O)=O ZINC000795650876 578618100 /nfs/dbraw/zinc/61/81/00/578618100.db2.gz GJWYTFQMTDULSW-ZDUSSCGKSA-N 1 2 338.433 0.281 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000799148846 578659749 /nfs/dbraw/zinc/65/97/49/578659749.db2.gz UVYBCTQUFSFRIK-UHFFFAOYSA-N 1 2 344.440 0.820 20 30 ECEDLO Cn1cc(C[NH+]2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)cn1 ZINC000780933649 578703002 /nfs/dbraw/zinc/70/30/02/578703002.db2.gz QOXAZAOJKMHDHN-KRWDZBQOSA-N 1 2 339.399 0.670 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)NCCc1cn2ccccc2[nH+]1)[C@H]1CCCO1 ZINC000786145403 578781402 /nfs/dbraw/zinc/78/14/02/578781402.db2.gz SPJNRZCNTBBKJC-HUUCEWRRSA-N 1 2 340.383 0.290 20 30 ECEDLO C=C(Br)CNC(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000787635020 578811757 /nfs/dbraw/zinc/81/17/57/578811757.db2.gz OHKZSIMPJJKNTQ-UHFFFAOYSA-N 1 2 341.209 0.789 20 30 ECEDLO COC(=O)CC[NH+]1CCC(=NNC2CCS(=O)(=O)CC2)CC1 ZINC000788724612 578843320 /nfs/dbraw/zinc/84/33/20/578843320.db2.gz ATOHXTGZOWGVAN-UHFFFAOYSA-N 1 2 331.438 0.168 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2csc(NCC)n2)CC1 ZINC000769024861 579136325 /nfs/dbraw/zinc/13/63/25/579136325.db2.gz UADQJNNYPCDLCZ-UHFFFAOYSA-N 1 2 349.460 0.472 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2csc(NCC)n2)CC1 ZINC000769024861 579136326 /nfs/dbraw/zinc/13/63/26/579136326.db2.gz UADQJNNYPCDLCZ-UHFFFAOYSA-N 1 2 349.460 0.472 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2ncccc2C(F)(F)F)CC1 ZINC000769319873 579142732 /nfs/dbraw/zinc/14/27/32/579142732.db2.gz BRZKEIQEMPSVEU-UHFFFAOYSA-N 1 2 340.349 0.967 20 30 ECEDLO CCOC(=O)CON=C(C(=O)N[C@@H](CC)c1[nH]cc[nH+]1)c1cc[nH]n1 ZINC000772559099 579210439 /nfs/dbraw/zinc/21/04/39/579210439.db2.gz CLNZNXBTXTYWBF-JTQLQIEISA-N 1 2 348.363 0.684 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCCO1 ZINC000773798809 579234382 /nfs/dbraw/zinc/23/43/82/579234382.db2.gz QYWYZAFSXKUOTJ-KBPBESRZSA-N 1 2 339.355 0.503 20 30 ECEDLO CCOCCO[NH+]=Cc1c(Cl)nc(N)nc1N1CCOCC1 ZINC000774415272 579247325 /nfs/dbraw/zinc/24/73/25/579247325.db2.gz OFQMNKHSUXQNPW-UHFFFAOYSA-N 1 2 329.788 0.936 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)NCc1cn2ccccc2[nH+]1)[C@@H]1CCCO1 ZINC000775123707 579262930 /nfs/dbraw/zinc/26/29/30/579262930.db2.gz VZJUCQXITHAFKH-KBPBESRZSA-N 1 2 326.356 0.248 20 30 ECEDLO CN(C)C(=O)C[NH+]1CCN(C(=O)Cc2ccccc2CC#N)CC1 ZINC000777278526 579296214 /nfs/dbraw/zinc/29/62/14/579296214.db2.gz NAXRMKVUAVEPNX-UHFFFAOYSA-N 1 2 328.416 0.528 20 30 ECEDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)COc1ccccc1C#N ZINC000779564598 579317973 /nfs/dbraw/zinc/31/79/73/579317973.db2.gz ADCPKHDQDKMBOI-ZDUSSCGKSA-N 1 2 328.328 0.492 20 30 ECEDLO C[C@@H]1CN=C(N[NH+]=Cc2c(N3CCOCC3)nc3ccccn32)N1 ZINC000779795462 579320865 /nfs/dbraw/zinc/32/08/65/579320865.db2.gz UCSQUBBFZKMGNO-GFCCVEGCSA-N 1 2 327.392 0.442 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000761031877 579519797 /nfs/dbraw/zinc/51/97/97/579519797.db2.gz DNZDTXJAHNCXAB-UHFFFAOYSA-N 1 2 327.372 0.804 20 30 ECEDLO C[N@H+](CCN1CCN(c2ccccc2)CC1)CC(=O)NCCC#N ZINC000738340589 579622269 /nfs/dbraw/zinc/62/22/69/579622269.db2.gz MHWVWOQKRSPGRI-UHFFFAOYSA-N 1 2 329.448 0.770 20 30 ECEDLO C[N@@H+](CCN1CCN(c2ccccc2)CC1)CC(=O)NCCC#N ZINC000738340589 579622271 /nfs/dbraw/zinc/62/22/71/579622271.db2.gz MHWVWOQKRSPGRI-UHFFFAOYSA-N 1 2 329.448 0.770 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000747967255 579855752 /nfs/dbraw/zinc/85/57/52/579855752.db2.gz QGTFBPGTFXTQAI-MRXNPFEDSA-N 1 2 345.399 0.490 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000747967255 579855753 /nfs/dbraw/zinc/85/57/53/579855753.db2.gz QGTFBPGTFXTQAI-MRXNPFEDSA-N 1 2 345.399 0.490 20 30 ECEDLO CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000834458271 588901232 /nfs/dbraw/zinc/90/12/32/588901232.db2.gz XTJWENUBCVXTNF-CYBMUJFWSA-N 1 2 327.344 0.096 20 30 ECEDLO Cn1ncc(Br)c1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000890887741 586068490 /nfs/dbraw/zinc/06/84/90/586068490.db2.gz TVCSAPQJZHZJRE-GFCCVEGCSA-N 1 2 328.214 0.685 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3nccnc3c2)C1 ZINC000891607988 586180964 /nfs/dbraw/zinc/18/09/64/586180964.db2.gz SMFIFDXYNJGCGF-CQSZACIVSA-N 1 2 337.383 0.782 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3nccnc3c2)C1 ZINC000891607988 586180966 /nfs/dbraw/zinc/18/09/66/586180966.db2.gz SMFIFDXYNJGCGF-CQSZACIVSA-N 1 2 337.383 0.782 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(CC(C)C)nn2C)C1 ZINC000891607830 586180997 /nfs/dbraw/zinc/18/09/97/586180997.db2.gz WNQZVVWRUGJQQY-AWEZNQCLSA-N 1 2 345.447 0.771 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(CC(C)C)nn2C)C1 ZINC000891607830 586180998 /nfs/dbraw/zinc/18/09/98/586180998.db2.gz WNQZVVWRUGJQQY-AWEZNQCLSA-N 1 2 345.447 0.771 20 30 ECEDLO C[N@H+]1CCOC[C@]1(CO)CNc1ncc(Br)cc1C#N ZINC000895610240 586191837 /nfs/dbraw/zinc/19/18/37/586191837.db2.gz SEHULMCISOBEQX-CYBMUJFWSA-N 1 2 341.209 0.821 20 30 ECEDLO C[N@@H+]1CCOC[C@]1(CO)CNc1ncc(Br)cc1C#N ZINC000895610240 586191836 /nfs/dbraw/zinc/19/18/36/586191836.db2.gz SEHULMCISOBEQX-CYBMUJFWSA-N 1 2 341.209 0.821 20 30 ECEDLO C=CCn1cc(C(=O)OCC[NH+]2CCN(C(=O)C3CCC3)CC2)nn1 ZINC000842724992 589034092 /nfs/dbraw/zinc/03/40/92/589034092.db2.gz MIMJXBRFUNPAGC-UHFFFAOYSA-N 1 2 347.419 0.565 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](C/C=C\c2cccc(F)c2)CC1 ZINC000895919606 586213122 /nfs/dbraw/zinc/21/31/22/586213122.db2.gz WIQZYTKMFZDXAX-XQRVVYSFSA-N 1 2 337.420 0.924 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2cc(C)cc(C#N)n2)CC1 ZINC000892327960 586250537 /nfs/dbraw/zinc/25/05/37/586250537.db2.gz QLYFVLXJKUZKCQ-HNNXBMFYSA-N 1 2 345.447 0.925 20 30 ECEDLO COc1cc(CO)ccc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000900457057 586632728 /nfs/dbraw/zinc/63/27/28/586632728.db2.gz QNHLYIVNAJJHCQ-UHFFFAOYSA-N 1 2 347.415 0.876 20 30 ECEDLO C/C(=C\C(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C[NH+]1CCOCC1 ZINC000900481418 586635033 /nfs/dbraw/zinc/63/50/33/586635033.db2.gz YLFHRGICAODKNN-MOKGIYGOSA-N 1 2 334.464 0.957 20 30 ECEDLO O=C(c1cccc(C#CCO)c1)N1CC[NH+](CCn2cncn2)CC1 ZINC000900797923 586664497 /nfs/dbraw/zinc/66/44/97/586664497.db2.gz JJTQAGZCROQCCB-UHFFFAOYSA-N 1 2 339.399 0.080 20 30 ECEDLO N#Cc1ccnc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)c1 ZINC000901558293 586711424 /nfs/dbraw/zinc/71/14/24/586711424.db2.gz ZBCNYPMOZNIZTL-UHFFFAOYSA-N 1 2 335.367 0.867 20 30 ECEDLO N#Cc1c2c(cn(C[NH+]3CCC([C@@H]4COC(=O)N4)CC3)c1=O)CCC2 ZINC000902514956 586741058 /nfs/dbraw/zinc/74/10/58/586741058.db2.gz SAQAZGPFRWIOFB-INIZCTEOSA-N 1 2 342.399 0.987 20 30 ECEDLO N#C[C@H]1CN(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CCN1C1CC1 ZINC000839478400 586858307 /nfs/dbraw/zinc/85/83/07/586858307.db2.gz FJBGZSUCCGFSND-AWEZNQCLSA-N 1 2 338.371 0.472 20 30 ECEDLO CN(CCC#N)S(=O)(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000907345277 587034990 /nfs/dbraw/zinc/03/49/90/587034990.db2.gz IHMZBZOMSNPZPX-UHFFFAOYSA-N 1 2 337.449 0.332 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)nc1 ZINC000907418179 587043170 /nfs/dbraw/zinc/04/31/70/587043170.db2.gz IEOCVDUASVAYSL-QWHCGFSZSA-N 1 2 338.458 0.811 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)nc1 ZINC000907418179 587043172 /nfs/dbraw/zinc/04/31/72/587043172.db2.gz IEOCVDUASVAYSL-QWHCGFSZSA-N 1 2 338.458 0.811 20 30 ECEDLO C#CCCCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000806913605 587111474 /nfs/dbraw/zinc/11/14/74/587111474.db2.gz APYWYWCLQDVEAV-UHFFFAOYSA-N 1 2 343.427 0.869 20 30 ECEDLO C=C[C@@H](O)C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000814540718 587276593 /nfs/dbraw/zinc/27/65/93/587276593.db2.gz CDJLFGUWQXZRGF-OAHLLOKOSA-N 1 2 334.372 0.547 20 30 ECEDLO Cn1ncc(C=[NH+]Nc2ccc(S(=O)(=O)NC3CC3)cc2)c1N ZINC000814828127 587279146 /nfs/dbraw/zinc/27/91/46/587279146.db2.gz OPLPCNZHJPBMLT-UHFFFAOYSA-N 1 2 334.405 0.889 20 30 ECEDLO CC(C)[C@@H](C(=O)N[C@H]1CCCN(O)C1=O)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000816754861 587323756 /nfs/dbraw/zinc/32/37/56/587323756.db2.gz NNSPVHAQKLSVIX-MQYQWHSLSA-N 1 2 327.425 0.617 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(-c3nn[nH]n3)cc2C)CC1 ZINC000819701391 587486263 /nfs/dbraw/zinc/48/62/63/587486263.db2.gz FJECWQRSHFWUTD-UHFFFAOYSA-N 1 2 340.387 0.331 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000819702269 587486819 /nfs/dbraw/zinc/48/68/19/587486819.db2.gz WGSFKPOHXJZFAC-ZDUSSCGKSA-N 1 2 339.403 0.127 20 30 ECEDLO COC(=O)CC1CC(=NNC(=S)NCC[NH+]2CCOCC2)C1 ZINC000819806656 587492095 /nfs/dbraw/zinc/49/20/95/587492095.db2.gz UXHDJSLSDDNIRQ-UHFFFAOYSA-N 1 2 328.438 0.112 20 30 ECEDLO C#C[C@@H](NC(=O)N1CCN(Cc2[nH+]ccn2C)CC1)C1CCOCC1 ZINC000823186999 587708127 /nfs/dbraw/zinc/70/81/27/587708127.db2.gz YFSHEJUMJAYTKD-MRXNPFEDSA-N 1 2 345.447 0.676 20 30 ECEDLO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCN(CCC#N)CC1 ZINC000826183007 588006463 /nfs/dbraw/zinc/00/64/63/588006463.db2.gz ATHCKEMVCCLRQE-UHFFFAOYSA-N 1 2 327.392 0.907 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(CO)cc2)CC1 ZINC000826550529 588069160 /nfs/dbraw/zinc/06/91/60/588069160.db2.gz UCFZWDMWFOOKIZ-UHFFFAOYSA-N 1 2 329.400 0.076 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(CO)cc2)CC1 ZINC000826550529 588069162 /nfs/dbraw/zinc/06/91/62/588069162.db2.gz UCFZWDMWFOOKIZ-UHFFFAOYSA-N 1 2 329.400 0.076 20 30 ECEDLO Cc1nn(C)c(N2CC[NH+](C[C@H]3CN(C4CC4)C(=O)O3)CC2)c1C#N ZINC000844320133 589107657 /nfs/dbraw/zinc/10/76/57/589107657.db2.gz HUDRBVUDTPBWIC-AWEZNQCLSA-N 1 2 344.419 0.705 20 30 ECEDLO C#CCN(C(=O)Cc1cn2c([nH+]1)CCCC2)[C@H]1CCS(=O)(=O)C1 ZINC000845266824 589141201 /nfs/dbraw/zinc/14/12/01/589141201.db2.gz OHLHULWMGVAFHH-AWEZNQCLSA-N 1 2 335.429 0.411 20 30 ECEDLO CC[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC000846234870 589192561 /nfs/dbraw/zinc/19/25/61/589192561.db2.gz YEMPWZIVMVGSHW-MRXNPFEDSA-N 1 2 344.415 0.214 20 30 ECEDLO O=C(N[C@@H]1CCCN(O)C1=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000848131241 589279127 /nfs/dbraw/zinc/27/91/27/589279127.db2.gz BCGAOVNBOOABMR-LLVKDONJSA-N 1 2 345.315 0.891 20 30 ECEDLO C#C[C@@H]1CCC[N@@H+](CN2C(=O)N[C@@](CC)(c3cnn(C)c3)C2=O)C1 ZINC000848494106 589298218 /nfs/dbraw/zinc/29/82/18/589298218.db2.gz UWXNBLKRDYCSBM-DYVFJYSZSA-N 1 2 329.404 0.880 20 30 ECEDLO C#C[C@@H]1CCC[N@H+](CN2C(=O)N[C@@](CC)(c3cnn(C)c3)C2=O)C1 ZINC000848494106 589298219 /nfs/dbraw/zinc/29/82/19/589298219.db2.gz UWXNBLKRDYCSBM-DYVFJYSZSA-N 1 2 329.404 0.880 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2cccc(OC(=O)NCC)c2)CC1 ZINC000848524858 589299909 /nfs/dbraw/zinc/29/99/09/589299909.db2.gz YANTZMGIKYHUKG-UHFFFAOYSA-N 1 2 345.399 0.951 20 30 ECEDLO CCn1nc(C)c(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)n1 ZINC000849899008 589353132 /nfs/dbraw/zinc/35/31/32/589353132.db2.gz HTHWZEXPZJBCMC-UHFFFAOYSA-N 1 2 342.403 0.520 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C)C1CCOCC1 ZINC000850687614 589379621 /nfs/dbraw/zinc/37/96/21/589379621.db2.gz COJZTRRXOQWRAT-AWEZNQCLSA-N 1 2 344.415 0.939 20 30 ECEDLO C[NH+](C)[C@H](C(=O)NCCNC(=O)C1N=CC=CC1=O)c1ccccc1 ZINC000109927215 589400893 /nfs/dbraw/zinc/40/08/93/589400893.db2.gz FTCMFYRRWFCXHX-UYTDBDHRSA-N 1 2 342.399 0.932 20 30 ECEDLO C#CCn1ccc(C[N@H+](CCOC)CCc2nnn(C(C)(C)C)n2)n1 ZINC000851995931 589436939 /nfs/dbraw/zinc/43/69/39/589436939.db2.gz CBOKVDKFSPJZDP-UHFFFAOYSA-N 1 2 345.451 0.949 20 30 ECEDLO C#CCn1ccc(C[N@@H+](CCOC)CCc2nnn(C(C)(C)C)n2)n1 ZINC000851995931 589436940 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C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](CC)[C@@](F)(C(=O)OCC)C1 ZINC000886872147 590896934 /nfs/dbraw/zinc/89/69/34/590896934.db2.gz KLZQQBWCHSGNKA-MQIPJXDCSA-N 1 2 343.399 1.000 20 30 ECEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@H](O)C3(O)CCOCC3)CCO2)c1 ZINC000930133611 611393760 /nfs/dbraw/zinc/39/37/60/611393760.db2.gz ANHFGHHTOJXJLN-IRXDYDNUSA-N 1 2 332.400 0.834 20 30 ECEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H](O)C3(O)CCOCC3)CCO2)c1 ZINC000930133611 611393763 /nfs/dbraw/zinc/39/37/63/611393763.db2.gz ANHFGHHTOJXJLN-IRXDYDNUSA-N 1 2 332.400 0.834 20 30 ECEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000925585108 611488479 /nfs/dbraw/zinc/48/84/79/611488479.db2.gz MUKPTHOBIAWXNJ-HOCLYGCPSA-N 1 2 335.452 0.479 20 30 ECEDLO N#Cc1cc(Cl)cc(C[NH+]2CCC(NS(N)(=O)=O)CC2)c1 ZINC000931267073 611527098 /nfs/dbraw/zinc/52/70/98/611527098.db2.gz PXCSXNXHVMCOJP-UHFFFAOYSA-N 1 2 328.825 0.969 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2cc(C)on2)CC1 ZINC000932038105 611594278 /nfs/dbraw/zinc/59/42/78/611594278.db2.gz HBZJKMTVFHOIFD-UHFFFAOYSA-N 1 2 332.404 0.199 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2cc(C)on2)CC1 ZINC000932038105 611594280 /nfs/dbraw/zinc/59/42/80/611594280.db2.gz HBZJKMTVFHOIFD-UHFFFAOYSA-N 1 2 332.404 0.199 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H]2C(=O)NC(C)(C)C)CC1 ZINC000932439332 611626347 /nfs/dbraw/zinc/62/63/47/611626347.db2.gz XODRNEIKPHBBKC-HNNXBMFYSA-N 1 2 334.464 0.143 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H]2C(=O)NC(C)(C)C)CC1 ZINC000932439332 611626349 /nfs/dbraw/zinc/62/63/49/611626349.db2.gz XODRNEIKPHBBKC-HNNXBMFYSA-N 1 2 334.464 0.143 20 30 ECEDLO C=C[C@@](C)(CCOC)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000187845429 608617373 /nfs/dbraw/zinc/61/73/73/608617373.db2.gz TWAYREYUXKXGNA-INIZCTEOSA-N 1 2 346.493 0.840 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cnc4n[nH]cc4c3)CC2)C1 ZINC000949394800 608667873 /nfs/dbraw/zinc/66/78/73/608667873.db2.gz FDHSSLTWWFWMOY-UHFFFAOYSA-N 1 2 339.399 0.898 20 30 ECEDLO 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608940268 /nfs/dbraw/zinc/94/02/68/608940268.db2.gz CZOVIUQHNRBOTI-WDEREUQCSA-N 1 2 343.391 0.091 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000947216127 608940271 /nfs/dbraw/zinc/94/02/71/608940271.db2.gz CZOVIUQHNRBOTI-WDEREUQCSA-N 1 2 343.391 0.091 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC000950050814 608958810 /nfs/dbraw/zinc/95/88/10/608958810.db2.gz AVHGEQBLYIPYHR-QGZVFWFLSA-N 1 2 336.436 0.675 20 30 ECEDLO C=CCN(C)C(=O)C(=O)N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000910553933 609726951 /nfs/dbraw/zinc/72/69/51/609726951.db2.gz IZIQIDIDBDVGKU-UHFFFAOYSA-N 1 2 325.453 0.980 20 30 ECEDLO C=CCn1cccc1C(=O)N1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000938318296 609732147 /nfs/dbraw/zinc/73/21/47/609732147.db2.gz CRNRJBLNYYOBIB-AWEZNQCLSA-N 1 2 341.415 0.981 20 30 ECEDLO C#CC[NH+](CC#C)C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC000929757725 609821231 /nfs/dbraw/zinc/82/12/31/609821231.db2.gz KMKFGBMWEUMXTJ-CQSZACIVSA-N 1 2 326.462 0.556 20 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610304874 /nfs/dbraw/zinc/30/48/74/610304874.db2.gz ZEJLADGQEWYXGG-UHFFFAOYSA-N 1 2 335.411 0.705 20 30 ECEDLO C#CCC[NH+]1CC(N2CCN(C(=O)c3cccc4n[nH]nc43)CC2)C1 ZINC000941419890 610305975 /nfs/dbraw/zinc/30/59/75/610305975.db2.gz JJGKXBNWEBSDRC-UHFFFAOYSA-N 1 2 338.415 0.423 20 30 ECEDLO C#CCC[NH+]1CC(N2CCN(C(=O)c3cccc4nn[nH]c43)CC2)C1 ZINC000941419890 610305976 /nfs/dbraw/zinc/30/59/76/610305976.db2.gz JJGKXBNWEBSDRC-UHFFFAOYSA-N 1 2 338.415 0.423 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCCN3C(=O)CC)CC2)C1 ZINC000941422366 610307587 /nfs/dbraw/zinc/30/75/87/610307587.db2.gz LLVUEDMLELTYIX-QGZVFWFLSA-N 1 2 346.475 0.239 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCN(C(=O)CC)C3)CC2)C1 ZINC000941422961 610307964 /nfs/dbraw/zinc/30/79/64/610307964.db2.gz SDOWRWHWFRNEPE-MRXNPFEDSA-N 1 2 346.475 0.097 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(C4CC4)n(CC)n3)CC2)C1 ZINC000941432761 610312878 /nfs/dbraw/zinc/31/28/78/610312878.db2.gz FUEOAXAMIHTBRU-UHFFFAOYSA-N 1 2 341.459 0.856 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3cn(C)nc3C)CC2)C1 ZINC000941438227 610315602 /nfs/dbraw/zinc/31/56/02/610315602.db2.gz LILMNPCPFCHXSF-UHFFFAOYSA-N 1 2 329.448 0.123 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3ccn(C(C)C)n3)CC2)C1 ZINC000941495308 610342532 /nfs/dbraw/zinc/34/25/32/610342532.db2.gz DINQSKCUQLSBJO-UHFFFAOYSA-N 1 2 343.475 0.858 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc4ccccc4nn3)CC2)C1 ZINC000941509283 610349825 /nfs/dbraw/zinc/34/98/25/610349825.db2.gz CLGOUPZWYGPLBL-UHFFFAOYSA-N 1 2 335.411 0.705 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCN(C2C[NH+]([C@@H]3CCCNC3=O)C2)CC1 ZINC000941516108 610353898 /nfs/dbraw/zinc/35/38/98/610353898.db2.gz LSZATOXICPRCLR-OAHLLOKOSA-N 1 2 334.464 0.306 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3cc(F)ccc3F)CC2)C1 ZINC000941539329 610358905 /nfs/dbraw/zinc/35/89/05/610358905.db2.gz XUUIMXZKTWUZSM-UHFFFAOYSA-N 1 2 333.382 0.969 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCCN(C(=O)Cn3cc[nH+]c3)CC2)[nH]1 ZINC000940789627 610363734 /nfs/dbraw/zinc/36/37/34/610363734.db2.gz SKYHHDHPTRHHMK-UHFFFAOYSA-N 1 2 326.360 0.458 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc4nonc4c3)CC2)C1 ZINC000941545198 610369986 /nfs/dbraw/zinc/36/99/86/610369986.db2.gz QHQUIHAKMUANEO-UHFFFAOYSA-N 1 2 325.372 0.298 20 30 ECEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCS2(=O)=O)C(C)(C)C1 ZINC000940795246 610377225 /nfs/dbraw/zinc/37/72/25/610377225.db2.gz HKSFAXCUDFXLJR-UONOGXRCSA-N 1 2 326.462 0.804 20 30 ECEDLO C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCS2(=O)=O)C(C)(C)C1 ZINC000940795246 610377228 /nfs/dbraw/zinc/37/72/28/610377228.db2.gz HKSFAXCUDFXLJR-UONOGXRCSA-N 1 2 326.462 0.804 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCN(C3C[NH+]([C@@H]4CCCNC4=O)C3)CC2)C1 ZINC000941559615 610382093 /nfs/dbraw/zinc/38/20/93/610382093.db2.gz GGENWWGQJYDUPO-MRXNPFEDSA-N 1 2 346.475 0.450 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3nnn(CC)c3CC)CC2)C1 ZINC000941564098 610384564 /nfs/dbraw/zinc/38/45/64/610384564.db2.gz XCDHGRJPNQPWIC-UHFFFAOYSA-N 1 2 344.463 0.326 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3scc4c3OCCO4)CC2)C1 ZINC000941626891 610415741 /nfs/dbraw/zinc/41/57/41/610415741.db2.gz XLZVIUSWVLJCEF-UHFFFAOYSA-N 1 2 347.440 0.595 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)CN3CCc4ccccc43)CC2)C1 ZINC000941664792 610456081 /nfs/dbraw/zinc/45/60/81/610456081.db2.gz GFYBLWMHLBOSHL-UHFFFAOYSA-N 1 2 338.455 0.511 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(-c4ccoc4)n[nH]3)CC2)C1 ZINC000941668258 610458622 /nfs/dbraw/zinc/45/86/22/610458622.db2.gz JZHXSNXQNKLJRM-UHFFFAOYSA-N 1 2 339.399 0.745 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3nncn3C)C[C@@H]2C)c1 ZINC000942618777 610537546 /nfs/dbraw/zinc/53/75/46/610537546.db2.gz WVFLMMBCSLSXGV-BBRMVZONSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3nncn3C)C[C@@H]2C)c1 ZINC000942618777 610537548 /nfs/dbraw/zinc/53/75/48/610537548.db2.gz WVFLMMBCSLSXGV-BBRMVZONSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nc1 ZINC000941881383 610540323 /nfs/dbraw/zinc/54/03/23/610540323.db2.gz ALSNFQWCJMRTEM-RBSFLKMASA-N 1 2 349.394 0.920 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nc1 ZINC000941881383 610540324 /nfs/dbraw/zinc/54/03/24/610540324.db2.gz ALSNFQWCJMRTEM-RBSFLKMASA-N 1 2 349.394 0.920 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2cn(C)nn2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941929455 610566956 /nfs/dbraw/zinc/56/69/56/610566956.db2.gz MNHSAORWMPQRDR-RISCZKNCSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2cn(C)nn2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941929455 610566958 /nfs/dbraw/zinc/56/69/58/610566958.db2.gz MNHSAORWMPQRDR-RISCZKNCSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@H]1C[N@H+](Cc2nncn2C)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941929783 610567613 /nfs/dbraw/zinc/56/76/13/610567613.db2.gz PCVCXSCLQZUURC-WCQYABFASA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@H]1C[N@@H+](Cc2nncn2C)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941929783 610567615 /nfs/dbraw/zinc/56/76/15/610567615.db2.gz PCVCXSCLQZUURC-WCQYABFASA-N 1 2 327.392 0.655 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)c1 ZINC000941931550 610568916 /nfs/dbraw/zinc/56/89/16/610568916.db2.gz CBRRBEXFGWBNHP-OAHLLOKOSA-N 1 2 337.383 0.668 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000941228513 610611232 /nfs/dbraw/zinc/61/12/32/610611232.db2.gz LODOIVQGHCUBBN-HUUCEWRRSA-N 1 2 326.400 0.576 20 30 ECEDLO C=CCn1cccc1C(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000941305813 610658600 /nfs/dbraw/zinc/65/86/00/610658600.db2.gz DTRFRTAFICNZNL-CQSZACIVSA-N 1 2 327.388 0.902 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnn(C4CCC4)c3)CC2)C1 ZINC000941410417 610720113 /nfs/dbraw/zinc/72/01/13/610720113.db2.gz GXLHQBVMRWKQHQ-UHFFFAOYSA-N 1 2 327.432 0.683 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cn(CC)nc3C3CC3)CC2)C1 ZINC000941424547 610724592 /nfs/dbraw/zinc/72/45/92/610724592.db2.gz PJYFKYJQAXWYCE-UHFFFAOYSA-N 1 2 341.459 0.856 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ncnn3C)C[C@H]2C)nc1 ZINC000944191722 610775358 /nfs/dbraw/zinc/77/53/58/610775358.db2.gz FBTMPJOGTSZQGH-UKRRQHHQSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ncnn3C)C[C@H]2C)nc1 ZINC000944191722 610775359 /nfs/dbraw/zinc/77/53/59/610775359.db2.gz FBTMPJOGTSZQGH-UKRRQHHQSA-N 1 2 338.415 0.832 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CCN(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC000944414733 610857828 /nfs/dbraw/zinc/85/78/28/610857828.db2.gz LOLCYIIRNNJQNY-AWEZNQCLSA-N 1 2 343.431 0.963 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC000945030501 610887045 /nfs/dbraw/zinc/88/70/45/610887045.db2.gz KEOTUWQCQLCSLG-ZDUSSCGKSA-N 1 2 329.404 0.953 20 30 ECEDLO C=CC[N@@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H](C)C1 ZINC000943690306 610948424 /nfs/dbraw/zinc/94/84/24/610948424.db2.gz RLAUWNCGTJUYFO-YPMHNXCESA-N 1 2 330.392 0.084 20 30 ECEDLO C=CC[N@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H](C)C1 ZINC000943690306 610948426 /nfs/dbraw/zinc/94/84/26/610948426.db2.gz RLAUWNCGTJUYFO-YPMHNXCESA-N 1 2 330.392 0.084 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)c[nH]1 ZINC000943985661 611069438 /nfs/dbraw/zinc/06/94/38/611069438.db2.gz HMHZHRSGHPUMGH-CQSZACIVSA-N 1 2 340.387 0.963 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC000944670514 611072232 /nfs/dbraw/zinc/07/22/32/611072232.db2.gz OMXIPPWBNFJGQU-CHWSQXEVSA-N 1 2 341.371 0.451 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC000944670516 611072286 /nfs/dbraw/zinc/07/22/86/611072286.db2.gz OMXIPPWBNFJGQU-OLZOCXBDSA-N 1 2 341.371 0.451 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)Cc2c[nH]c[nH+]2)c[nH]1 ZINC000946325957 611219007 /nfs/dbraw/zinc/21/90/07/611219007.db2.gz OKDXBUGQHHYOJN-XHDPSFHLSA-N 1 2 340.387 0.867 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)NC)cs2)C1 ZINC000923570736 611264567 /nfs/dbraw/zinc/26/45/67/611264567.db2.gz WHIZFGSFWDBCLK-NSHDSACASA-N 1 2 341.458 0.484 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)NC)cs2)C1 ZINC000923570736 611264568 /nfs/dbraw/zinc/26/45/68/611264568.db2.gz WHIZFGSFWDBCLK-NSHDSACASA-N 1 2 341.458 0.484 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2c(C)oc3ncn(C)c(=O)c32)C1 ZINC000923591240 611270809 /nfs/dbraw/zinc/27/08/09/611270809.db2.gz SSOQNTHQPVSGMO-GFCCVEGCSA-N 1 2 328.372 0.662 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)oc3ncn(C)c(=O)c32)C1 ZINC000923591240 611270811 /nfs/dbraw/zinc/27/08/11/611270811.db2.gz SSOQNTHQPVSGMO-GFCCVEGCSA-N 1 2 328.372 0.662 20 30 ECEDLO CCn1c(=O)c2ccc(C(=O)N[C@H]3C[NH2+]C[C@H]3C#N)cc2[nH]c1=S ZINC000834512481 611289874 /nfs/dbraw/zinc/28/98/74/611289874.db2.gz XPWDRVHSNBHEGI-MFKMUULPSA-N 1 2 343.412 0.546 20 30 ECEDLO Nc1ccc2c([nH+]1)CCCC2=NNC(=S)NCCN1CCOCC1 ZINC000834919362 611305437 /nfs/dbraw/zinc/30/54/37/611305437.db2.gz GUGUFKIFPWSDHF-UHFFFAOYSA-N 1 2 348.476 0.501 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cn(C)nn3)[C@@H](C)C2)cn1 ZINC000947948672 611752530 /nfs/dbraw/zinc/75/25/30/611752530.db2.gz PCTNJGMQVCIDLG-XJKSGUPXSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cn(C)nn3)[C@@H](C)C2)cn1 ZINC000947948672 611752532 /nfs/dbraw/zinc/75/25/32/611752532.db2.gz PCTNJGMQVCIDLG-XJKSGUPXSA-N 1 2 338.415 0.974 20 30 ECEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1nccnc1C(N)=O ZINC000948982828 611784823 /nfs/dbraw/zinc/78/48/23/611784823.db2.gz QTHKNOGTMSKSOK-HNNXBMFYSA-N 1 2 349.394 0.538 20 30 ECEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1nccnc1C(N)=O ZINC000948982828 611784825 /nfs/dbraw/zinc/78/48/25/611784825.db2.gz QTHKNOGTMSKSOK-HNNXBMFYSA-N 1 2 349.394 0.538 20 30 ECEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2cnc3ccc(OC)nn32)C1 ZINC000950648984 611816648 /nfs/dbraw/zinc/81/66/48/611816648.db2.gz BTPSNLUZLHPLFM-UHFFFAOYSA-N 1 2 327.388 0.908 20 30 ECEDLO CCn1ncc(C[NH+]2CCC3(CC2)CN(C(=O)[C@@H](C)C#N)CCO3)n1 ZINC000949051501 611829378 /nfs/dbraw/zinc/82/93/78/611829378.db2.gz JRSGIFKQYZGAGG-AWEZNQCLSA-N 1 2 346.435 0.651 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H]1CCN1C(=O)C#CC1CC1)C2 ZINC000950748003 611885298 /nfs/dbraw/zinc/88/52/98/611885298.db2.gz GWTCGKCJGCAFJW-GJZGRUSLSA-N 1 2 340.427 0.954 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H]1CCN1C(=O)C#CC1CC1)CC2 ZINC000950748003 611885301 /nfs/dbraw/zinc/88/53/01/611885301.db2.gz GWTCGKCJGCAFJW-GJZGRUSLSA-N 1 2 340.427 0.954 20 30 ECEDLO O=C(C#CC1CC1)N1CCC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000950763824 611895693 /nfs/dbraw/zinc/89/56/93/611895693.db2.gz BTZANROMHJYHAD-JKSUJKDBSA-N 1 2 340.427 0.966 20 30 ECEDLO CC(C)(C(=O)N1CCOC2(CCN(CC#N)CC2)C1)c1c[nH+]c[nH]1 ZINC000949230872 611910171 /nfs/dbraw/zinc/91/01/71/611910171.db2.gz YDUUHHJXEYZDNH-UHFFFAOYSA-N 1 2 331.420 0.904 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000950233019 611917882 /nfs/dbraw/zinc/91/78/82/611917882.db2.gz QEVILQOAMRYPHU-FMKPAKJESA-N 1 2 346.431 0.959 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000950321298 611969658 /nfs/dbraw/zinc/96/96/58/611969658.db2.gz ZDZRGXJPCQHRAA-CYBMUJFWSA-N 1 2 340.387 0.881 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)CCc2c[nH]c[nH+]2)[nH]1 ZINC000949448740 611984454 /nfs/dbraw/zinc/98/44/54/611984454.db2.gz HCJUNEDRHKWMQX-CYBMUJFWSA-N 1 2 326.360 0.573 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)CCc2c[nH+]c[nH]2)[nH]1 ZINC000949448740 611984456 /nfs/dbraw/zinc/98/44/56/611984456.db2.gz HCJUNEDRHKWMQX-CYBMUJFWSA-N 1 2 326.360 0.573 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)CCn2cc[nH+]c2)[nH]1 ZINC000949449922 611985248 /nfs/dbraw/zinc/98/52/48/611985248.db2.gz UABYFFPFJRVHNU-CYBMUJFWSA-N 1 2 326.360 0.504 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[NH+](CCCN3C(=O)CNC3=O)CC2)C1 ZINC000950386143 611993973 /nfs/dbraw/zinc/99/39/73/611993973.db2.gz SZFGFJDLAGGHCJ-UHFFFAOYSA-N 1 2 334.420 0.429 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC[C@H](C(N)=O)C3)CC2)C1 ZINC000949487142 612000600 /nfs/dbraw/zinc/00/06/00/612000600.db2.gz OEXAINZBOQKFGO-JKSUJKDBSA-N 1 2 347.459 0.605 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC[C@H](C(N)=O)C3)CC2)C1 ZINC000949487142 612000603 /nfs/dbraw/zinc/00/06/03/612000603.db2.gz OEXAINZBOQKFGO-JKSUJKDBSA-N 1 2 347.459 0.605 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000949499987 612009336 /nfs/dbraw/zinc/00/93/36/612009336.db2.gz PQHXRYYKOAGTQY-FPCVCCKLSA-N 1 2 346.431 0.827 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3noc4c3COCC4)CC2)C1 ZINC000949529153 612022132 /nfs/dbraw/zinc/02/21/32/612022132.db2.gz LRNITFGCDWFHDZ-UHFFFAOYSA-N 1 2 345.399 0.688 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3noc4c3COCC4)CC2)C1 ZINC000949529153 612022134 /nfs/dbraw/zinc/02/21/34/612022134.db2.gz LRNITFGCDWFHDZ-UHFFFAOYSA-N 1 2 345.399 0.688 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)c[nH]1 ZINC000951249514 612103627 /nfs/dbraw/zinc/10/36/27/612103627.db2.gz BRBYTIOMOFISIK-CYBMUJFWSA-N 1 2 326.360 0.504 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC000952946201 612135578 /nfs/dbraw/zinc/13/55/78/612135578.db2.gz KGTZVIUIMCTNBC-SUMWQHHRSA-N 1 2 329.404 0.953 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@]2(CCN(C(=O)[C@H](C)C#N)C2)C1 ZINC000953199308 612201299 /nfs/dbraw/zinc/20/12/99/612201299.db2.gz LRDITJHIGJGSFS-PXAZEXFGSA-N 1 2 329.404 0.871 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@]2(CCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC000953201856 612201922 /nfs/dbraw/zinc/20/19/22/612201922.db2.gz PAFQYBVYHUUZFS-KDOFPFPSSA-N 1 2 343.431 0.963 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)[nH]1 ZINC000952149748 612249262 /nfs/dbraw/zinc/24/92/62/612249262.db2.gz XKDHJKMHTGOUAK-GFCCVEGCSA-N 1 2 326.360 0.573 20 30 ECEDLO C=CCCn1cc(C(=O)N(CC)C2CN(Cc3c[nH+]cn3C)C2)nn1 ZINC000952429772 612426857 /nfs/dbraw/zinc/42/68/57/612426857.db2.gz YLLKWGSNODDTCV-UHFFFAOYSA-N 1 2 343.435 0.934 20 30 ECEDLO C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000956800986 612564753 /nfs/dbraw/zinc/56/47/53/612564753.db2.gz MREQEWHZGPQSOI-KRWDZBQOSA-N 1 2 340.387 0.963 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@](C)(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000956802145 612565713 /nfs/dbraw/zinc/56/57/13/612565713.db2.gz HGKFCXZKRVJDBW-KRWDZBQOSA-N 1 2 340.387 0.583 20 30 ECEDLO C=CCn1cccc1C(=O)N1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000955443917 612592675 /nfs/dbraw/zinc/59/26/75/612592675.db2.gz MQWLOEYZPBOFOR-UHFFFAOYSA-N 1 2 327.388 0.923 20 30 ECEDLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N(C)C1CN(C(=O)C#CC2CC2)C1 ZINC000954818378 612711674 /nfs/dbraw/zinc/71/16/74/612711674.db2.gz CBRVFJLVXWGNMF-QGZVFWFLSA-N 1 2 347.459 0.570 20 30 ECEDLO CCCC[N@H+]1CCOC[C@@H]1C(=O)N(C)C1CN(C(=O)C#CC2CC2)C1 ZINC000954818378 612711676 /nfs/dbraw/zinc/71/16/76/612711676.db2.gz CBRVFJLVXWGNMF-QGZVFWFLSA-N 1 2 347.459 0.570 20 30 ECEDLO C=CCn1cc(C(=O)N[C@]2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC000956930782 612713752 /nfs/dbraw/zinc/71/37/52/612713752.db2.gz WZWQCAUKLFECCW-MRXNPFEDSA-N 1 2 343.391 0.151 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000955634100 612721127 /nfs/dbraw/zinc/72/11/27/612721127.db2.gz WSCXCDAKANGRCG-JSGCOSHPSA-N 1 2 340.387 0.892 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000955725912 612794669 /nfs/dbraw/zinc/79/46/69/612794669.db2.gz IBYDHBSNJAZGII-GXTWGEPZSA-N 1 2 340.387 0.892 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)Cc2c[nH+]c[nH]2)nc1 ZINC000956251960 612801931 /nfs/dbraw/zinc/80/19/31/612801931.db2.gz BVHZFWBHRNXHLO-HNNXBMFYSA-N 1 2 337.383 0.750 20 30 ECEDLO CC1(NC(=O)c2c[nH]c(C#N)c2)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000956343094 612843145 /nfs/dbraw/zinc/84/31/45/612843145.db2.gz KPQGPNYADDLFSZ-UHFFFAOYSA-N 1 2 340.387 0.894 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000955797929 612845065 /nfs/dbraw/zinc/84/50/65/612845065.db2.gz PDRMIXYAVSMMDB-AAEUAGOBSA-N 1 2 340.387 0.961 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000954404774 612894078 /nfs/dbraw/zinc/89/40/78/612894078.db2.gz HZDNJQZUQJLYBW-CABCVRRESA-N 1 2 332.404 0.603 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000954404898 612894232 /nfs/dbraw/zinc/89/42/32/612894232.db2.gz QTZGHNBDHIUYSN-CVEARBPZSA-N 1 2 346.431 0.924 20 30 ECEDLO CN(C(=O)[C@H](C1CC1)[NH+]1CCOCC1)C1CN(C(=O)C#CC2CC2)C1 ZINC000954427624 612905971 /nfs/dbraw/zinc/90/59/71/612905971.db2.gz WFJQBAUFFBFMHI-SFHVURJKSA-N 1 2 345.443 0.180 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H](C)OC)CC2)C1 ZINC000956582650 612917718 /nfs/dbraw/zinc/91/77/18/612917718.db2.gz DBNMPJVXCLTVED-CABCVRRESA-N 1 2 337.464 0.979 20 30 ECEDLO N#Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCN(C(=O)C4CC4)C3)CC2)c[nH]1 ZINC000956593448 612921358 /nfs/dbraw/zinc/92/13/58/612921358.db2.gz UKQWZTLHCVTILM-MRXNPFEDSA-N 1 2 341.415 0.655 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000969268410 731658435 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736946246 /nfs/dbraw/zinc/94/62/46/736946246.db2.gz QPUMXJMRJAFCDI-QGZVFWFLSA-N 1 2 330.388 0.425 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cncc(OC)n3)C2)C1 ZINC000972583215 736946249 /nfs/dbraw/zinc/94/62/49/736946249.db2.gz QPUMXJMRJAFCDI-QGZVFWFLSA-N 1 2 330.388 0.425 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cnn(C)n2)C1 ZINC001023599454 737058006 /nfs/dbraw/zinc/05/80/06/737058006.db2.gz KZWAANYNOBRYLQ-IMJJTQAJSA-N 1 2 333.436 0.734 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2cnn(C)n2)C1 ZINC001023599454 737058009 /nfs/dbraw/zinc/05/80/09/737058009.db2.gz KZWAANYNOBRYLQ-IMJJTQAJSA-N 1 2 333.436 0.734 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)Cc3cnn(C)c3)C2)C1 ZINC000972617555 737108783 /nfs/dbraw/zinc/10/87/83/737108783.db2.gz QIQBMFWBPSZOHA-CRAIPNDOSA-N 1 2 330.432 0.535 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)Cc3cnn(C)c3)C2)C1 ZINC000972617555 737108784 /nfs/dbraw/zinc/10/87/84/737108784.db2.gz QIQBMFWBPSZOHA-CRAIPNDOSA-N 1 2 330.432 0.535 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H](C)N3CCCC3=O)C2)C1 ZINC000972634941 737183394 /nfs/dbraw/zinc/18/33/94/737183394.db2.gz NWHUWGHBTZMPLZ-QAPCUYQASA-N 1 2 335.448 0.877 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H](C)N3CCCC3=O)C2)C1 ZINC000972634941 737183396 /nfs/dbraw/zinc/18/33/96/737183396.db2.gz NWHUWGHBTZMPLZ-QAPCUYQASA-N 1 2 335.448 0.877 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3ccc(OC)c(OC)c3)[C@H]2C1 ZINC001083263037 737188268 /nfs/dbraw/zinc/18/82/68/737188268.db2.gz BBANQWVTBMISPX-MAUKXSAKSA-N 1 2 344.411 0.791 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3ccc(OC)c(OC)c3)[C@H]2C1 ZINC001083263037 737188271 /nfs/dbraw/zinc/18/82/71/737188271.db2.gz BBANQWVTBMISPX-MAUKXSAKSA-N 1 2 344.411 0.791 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3nncn3C)C2)nc1 ZINC001023709378 737227157 /nfs/dbraw/zinc/22/71/57/737227157.db2.gz TXJRRSQHNGSOPF-OAHLLOKOSA-N 1 2 338.415 0.833 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3nncn3C)C2)nc1 ZINC001023709378 737227161 /nfs/dbraw/zinc/22/71/61/737227161.db2.gz TXJRRSQHNGSOPF-OAHLLOKOSA-N 1 2 338.415 0.833 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3c(C)n[nH]c3C)C2)C1 ZINC000972669403 737315944 /nfs/dbraw/zinc/31/59/44/737315944.db2.gz LWZGLHWFTFFIFB-GOSISDBHSA-N 1 2 330.432 0.896 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3c(C)n[nH]c3C)C2)C1 ZINC000972669403 737315945 /nfs/dbraw/zinc/31/59/45/737315945.db2.gz LWZGLHWFTFFIFB-GOSISDBHSA-N 1 2 330.432 0.896 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC)N3CCCC3=O)C2)C1 ZINC000972672899 737338406 /nfs/dbraw/zinc/33/84/06/737338406.db2.gz BSMBRDNXFGNVJQ-APWZRJJASA-N 1 2 347.459 0.714 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC)N3CCCC3=O)C2)C1 ZINC000972672899 737338410 /nfs/dbraw/zinc/33/84/10/737338410.db2.gz BSMBRDNXFGNVJQ-APWZRJJASA-N 1 2 347.459 0.714 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccnc3C(N)=O)C2)C1 ZINC000972681775 737369501 /nfs/dbraw/zinc/36/95/01/737369501.db2.gz AFEIEBGSNCQMCU-GOSISDBHSA-N 1 2 342.399 0.121 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccnc3C(N)=O)C2)C1 ZINC000972681775 737369504 /nfs/dbraw/zinc/36/95/04/737369504.db2.gz AFEIEBGSNCQMCU-GOSISDBHSA-N 1 2 342.399 0.121 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)C2)C1 ZINC000972684343 737374438 /nfs/dbraw/zinc/37/44/38/737374438.db2.gz RPKYNYJDYJVHPQ-KDOFPFPSSA-N 1 2 328.416 0.451 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)C2)C1 ZINC000972684343 737374443 /nfs/dbraw/zinc/37/44/43/737374443.db2.gz RPKYNYJDYJVHPQ-KDOFPFPSSA-N 1 2 328.416 0.451 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C3CC3)N3CCOCC3)C2)C1 ZINC000972685750 737377179 /nfs/dbraw/zinc/37/71/79/737377179.db2.gz SVPQERNAWQRBAC-MJGOQNOKSA-N 1 2 349.475 0.587 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C3CC3)N3CCOCC3)C2)C1 ZINC000972685750 737377181 /nfs/dbraw/zinc/37/71/81/737377181.db2.gz SVPQERNAWQRBAC-MJGOQNOKSA-N 1 2 349.475 0.587 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)cs3)C2)C1 ZINC000972693408 737401330 /nfs/dbraw/zinc/40/13/30/737401330.db2.gz DGJOJDNGXKQPNO-MRXNPFEDSA-N 1 2 335.429 0.950 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)cs3)C2)C1 ZINC000972693408 737401332 /nfs/dbraw/zinc/40/13/32/737401332.db2.gz DGJOJDNGXKQPNO-MRXNPFEDSA-N 1 2 335.429 0.950 20 30 ECEDLO N#Cc1cnccc1NCCN(CCO)C(=O)CCCn1cc[nH+]c1 ZINC001111484718 737571216 /nfs/dbraw/zinc/57/12/16/737571216.db2.gz NXVZZQRKKADCMV-UHFFFAOYSA-N 1 2 342.403 0.285 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCCC[NH2+]Cc1noc(CC)n1 ZINC001167684674 737754884 /nfs/dbraw/zinc/75/48/84/737754884.db2.gz MMHHNSSDWISUDH-CYBMUJFWSA-N 1 2 337.424 0.699 20 30 ECEDLO C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCCS1(=O)=O ZINC001024478186 738006424 /nfs/dbraw/zinc/00/64/24/738006424.db2.gz SIFWTXYPFOHXBT-GJZGRUSLSA-N 1 2 326.462 0.948 20 30 ECEDLO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCCS1(=O)=O ZINC001024478186 738006427 /nfs/dbraw/zinc/00/64/27/738006427.db2.gz SIFWTXYPFOHXBT-GJZGRUSLSA-N 1 2 326.462 0.948 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001024650864 738199716 /nfs/dbraw/zinc/19/97/16/738199716.db2.gz OTZCXJUWCPFAMY-FRRDWIJNSA-N 1 2 329.828 0.743 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001024650864 738199720 /nfs/dbraw/zinc/19/97/20/738199720.db2.gz OTZCXJUWCPFAMY-FRRDWIJNSA-N 1 2 329.828 0.743 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccnn2C)nn1 ZINC001024698885 738229238 /nfs/dbraw/zinc/22/92/38/738229238.db2.gz MOHXRZGOAYHCRL-AWEZNQCLSA-N 1 2 343.435 0.982 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccnn2C)nn1 ZINC001024698885 738229240 /nfs/dbraw/zinc/22/92/40/738229240.db2.gz MOHXRZGOAYHCRL-AWEZNQCLSA-N 1 2 343.435 0.982 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3CCOCC3)C2)nn1 ZINC001098591966 738369987 /nfs/dbraw/zinc/36/99/87/738369987.db2.gz PMYAOIKMLUFPEJ-MRXNPFEDSA-N 1 2 331.420 0.591 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C3CCOCC3)C2)nn1 ZINC001098591960 738369997 /nfs/dbraw/zinc/36/99/97/738369997.db2.gz PMYAOIKMLUFPEJ-INIZCTEOSA-N 1 2 331.420 0.591 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001025301982 739016760 /nfs/dbraw/zinc/01/67/60/739016760.db2.gz FQTBAMRXTDDFRA-GHMZBOCLSA-N 1 2 340.811 0.419 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ncc4n3CCCC4)[C@H]2C1 ZINC001083280300 739261634 /nfs/dbraw/zinc/26/16/34/739261634.db2.gz MTDFCUPENUQPHE-JKSUJKDBSA-N 1 2 328.416 0.768 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ncc4n3CCCC4)[C@H]2C1 ZINC001083280300 739261635 /nfs/dbraw/zinc/26/16/35/739261635.db2.gz MTDFCUPENUQPHE-JKSUJKDBSA-N 1 2 328.416 0.768 20 30 ECEDLO C[C@H](NC(=O)c1ccc(C#N)[nH]1)[C@H]1CCC[N@H+](Cc2nnnn2C)C1 ZINC001025391565 739367061 /nfs/dbraw/zinc/36/70/61/739367061.db2.gz SVBUYLIHLXSFTI-RYUDHWBXSA-N 1 2 342.407 0.440 20 30 ECEDLO C[C@H](NC(=O)c1ccc(C#N)[nH]1)[C@H]1CCC[N@@H+](Cc2nnnn2C)C1 ZINC001025391565 739367069 /nfs/dbraw/zinc/36/70/69/739367069.db2.gz SVBUYLIHLXSFTI-RYUDHWBXSA-N 1 2 342.407 0.440 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)cn1 ZINC000973483622 739375284 /nfs/dbraw/zinc/37/52/84/739375284.db2.gz NCWRLTPGGDWOEK-SHTZXODSSA-N 1 2 337.383 0.714 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)[C@H](C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001104683669 739479704 /nfs/dbraw/zinc/47/97/04/739479704.db2.gz LYJNMYGKVSQHHK-VXGBXAGGSA-N 1 2 334.424 0.543 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H](C)C2CN(C(=O)Cc3c[nH+]c[nH]3)C2)cn1 ZINC001006528113 751483561 /nfs/dbraw/zinc/48/35/61/751483561.db2.gz GBSDMBNHOSLVPV-LBPRGKRZSA-N 1 2 337.383 0.605 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H](C)C2CN(C(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001006530783 751485828 /nfs/dbraw/zinc/48/58/28/751485828.db2.gz SSZQPPYTKQYWKA-CYBMUJFWSA-N 1 2 337.383 0.536 20 30 ECEDLO N#Cc1cc(C[N@@H+]2C[C@@H](NC(=O)C3=COCCO3)[C@@H](O)C2)ccc1F ZINC001083322482 751509647 /nfs/dbraw/zinc/50/96/47/751509647.db2.gz KPMFHDDRVIHURZ-CABCVRRESA-N 1 2 347.346 0.247 20 30 ECEDLO N#Cc1cc(C[N@H+]2C[C@@H](NC(=O)C3=COCCO3)[C@@H](O)C2)ccc1F ZINC001083322482 751509649 /nfs/dbraw/zinc/50/96/49/751509649.db2.gz KPMFHDDRVIHURZ-CABCVRRESA-N 1 2 347.346 0.247 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2csc(C)n2)[C@@H](n2ccnn2)C1 ZINC001070006328 790305915 /nfs/dbraw/zinc/30/59/15/790305915.db2.gz QBXWIPLSWBCWPF-OCCSQVGLSA-N 1 2 330.417 0.722 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2csc(C)n2)[C@@H](n2ccnn2)C1 ZINC001070006328 790305919 /nfs/dbraw/zinc/30/59/19/790305919.db2.gz QBXWIPLSWBCWPF-OCCSQVGLSA-N 1 2 330.417 0.722 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(c3cccnc3)CC2)[C@@H](n2ccnn2)C1 ZINC001070006228 790306220 /nfs/dbraw/zinc/30/62/20/790306220.db2.gz KUYWGEUCRSAVHA-CVEARBPZSA-N 1 2 336.399 0.380 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(c3cccnc3)CC2)[C@@H](n2ccnn2)C1 ZINC001070006228 790306225 /nfs/dbraw/zinc/30/62/25/790306225.db2.gz KUYWGEUCRSAVHA-CVEARBPZSA-N 1 2 336.399 0.380 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3n[nH]cc3c2)[C@@H](n2ccnn2)C1 ZINC001070010249 790315593 /nfs/dbraw/zinc/31/55/93/790315593.db2.gz JUNDRDUGFSYPNE-SJORKVTESA-N 1 2 349.398 0.833 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc3n[nH]cc3c2)[C@@H](n2ccnn2)C1 ZINC001070010249 790315601 /nfs/dbraw/zinc/31/56/01/790315601.db2.gz JUNDRDUGFSYPNE-SJORKVTESA-N 1 2 349.398 0.833 20 30 ECEDLO CC#CC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)S(C)(=O)=O)C2)C1 ZINC000982048646 751549358 /nfs/dbraw/zinc/54/93/58/751549358.db2.gz SOLCHFZMEFUEDI-UHFFFAOYSA-N 1 2 326.462 0.757 20 30 ECEDLO CC#CC[N@H+]1CCCC2(CN(C(=O)C(C)(C)S(C)(=O)=O)C2)C1 ZINC000982048646 751549360 /nfs/dbraw/zinc/54/93/60/751549360.db2.gz SOLCHFZMEFUEDI-UHFFFAOYSA-N 1 2 326.462 0.757 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc(OCC)cn3)[C@H]2C1 ZINC001083292063 740552968 /nfs/dbraw/zinc/55/29/68/740552968.db2.gz MSZABXNXFALKJO-LSDHHAIUSA-N 1 2 330.388 0.424 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc(OCC)cn3)[C@H]2C1 ZINC001083292063 740552971 /nfs/dbraw/zinc/55/29/71/740552971.db2.gz MSZABXNXFALKJO-LSDHHAIUSA-N 1 2 330.388 0.424 20 30 ECEDLO CN(C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)c1cnc(C#N)cn1 ZINC001058694793 740588522 /nfs/dbraw/zinc/58/85/22/740588522.db2.gz GMNODJQOSMZLMX-CYBMUJFWSA-N 1 2 339.403 0.989 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000973995097 740746990 /nfs/dbraw/zinc/74/69/90/740746990.db2.gz PCGWWWJMTTYNLD-TXEJJXNPSA-N 1 2 326.360 0.240 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnn(C)c3C)C2)nn1 ZINC001098611621 740893578 /nfs/dbraw/zinc/89/35/78/740893578.db2.gz NCTDRVLKOWHKAB-CQSZACIVSA-N 1 2 327.392 0.130 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cn3cccn3)C2)nn1 ZINC001098611955 740904401 /nfs/dbraw/zinc/90/44/01/740904401.db2.gz WLQLJTTWEHGIBW-OAHLLOKOSA-N 1 2 327.392 0.061 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[N@@H+](Cc3ccnn3C)CC2)nn1 ZINC000982112898 751606240 /nfs/dbraw/zinc/60/62/40/751606240.db2.gz CNRBZCJKBLKLLN-UHFFFAOYSA-N 1 2 329.408 0.546 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[N@H+](Cc3ccnn3C)CC2)nn1 ZINC000982112898 751606246 /nfs/dbraw/zinc/60/62/46/751606246.db2.gz CNRBZCJKBLKLLN-UHFFFAOYSA-N 1 2 329.408 0.546 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC=CCC3)C2)nn1 ZINC001105153678 741424318 /nfs/dbraw/zinc/42/43/18/741424318.db2.gz XNWZQJMGPUDZLX-OAHLLOKOSA-N 1 2 343.431 0.757 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cncnc3C)C2)nn1 ZINC001105174041 741437362 /nfs/dbraw/zinc/43/73/62/741437362.db2.gz GENXXPPFFDWMOV-UHFFFAOYSA-N 1 2 325.376 0.187 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)n3cccc3)C2)nn1 ZINC001105213620 741476773 /nfs/dbraw/zinc/47/67/73/741476773.db2.gz CSBQVAIZHLCTQE-AWEZNQCLSA-N 1 2 326.404 0.837 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c(Cl)cnn3C)C2)nn1 ZINC001105240249 741530800 /nfs/dbraw/zinc/53/08/00/741530800.db2.gz FNJDQTZYSVKSLQ-UHFFFAOYSA-N 1 2 333.783 0.085 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccnn3CC(F)F)C2)nn1 ZINC001105240634 741533891 /nfs/dbraw/zinc/53/38/91/741533891.db2.gz VRADPGHMNATLHN-UHFFFAOYSA-N 1 2 349.345 0.160 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[C@@H](OC)C3)C2)nn1 ZINC001105275221 741620747 /nfs/dbraw/zinc/62/07/47/741620747.db2.gz HHJYADSNCYKXLE-XJKSGUPXSA-N 1 2 331.420 0.589 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)nn1 ZINC001105285704 741645538 /nfs/dbraw/zinc/64/55/38/741645538.db2.gz UIJYKIKNQLAATN-RRQGHBQHSA-N 1 2 343.431 0.589 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3ccnc(C)n3)C2)nn1 ZINC001105290504 741651837 /nfs/dbraw/zinc/65/18/37/741651837.db2.gz UCOPIOQJESCEAM-UHFFFAOYSA-N 1 2 339.403 0.115 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(F)ccc3OC)C2)nn1 ZINC001105296876 741673717 /nfs/dbraw/zinc/67/37/17/741673717.db2.gz AQKPOKCGOUMOGH-UHFFFAOYSA-N 1 2 343.362 0.846 20 30 ECEDLO CC(C)[C@H](CNC(=O)CCc1c[nH]c[nH+]1)Nc1ccnc(C#N)n1 ZINC001105298620 741678492 /nfs/dbraw/zinc/67/84/92/741678492.db2.gz NBDCARACTLMYPH-ZDUSSCGKSA-N 1 2 327.392 0.679 20 30 ECEDLO CC(C)[C@H](CNC(=O)CCc1c[nH+]c[nH]1)Nc1ccnc(C#N)n1 ZINC001105298620 741678497 /nfs/dbraw/zinc/67/84/97/741678497.db2.gz NBDCARACTLMYPH-ZDUSSCGKSA-N 1 2 327.392 0.679 20 30 ECEDLO CC#CCCCC(=O)N1CC(n2cc(C[NH2+][C@H](CC)C(N)=O)nn2)C1 ZINC001105308358 741709749 /nfs/dbraw/zinc/70/97/49/741709749.db2.gz MTIRHWRAPRYWLB-OAHLLOKOSA-N 1 2 346.435 0.209 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C3CCC(OC)CC3)C2)nn1 ZINC001105314513 741735745 /nfs/dbraw/zinc/73/57/45/741735745.db2.gz UMTDEJZBVCWTAS-UHFFFAOYSA-N 1 2 331.420 0.589 20 30 ECEDLO C=CCCCC(=O)N1CC(n2cc(C[NH2+][C@H](C)C(=O)NC)nn2)C1 ZINC001105317152 741751901 /nfs/dbraw/zinc/75/19/01/741751901.db2.gz KVFICCBVJXXJGV-GFCCVEGCSA-N 1 2 334.424 0.242 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC(n3cc(C[NH2+]CC#CC)nn3)C2)c1 ZINC001105325304 741799587 /nfs/dbraw/zinc/79/95/87/741799587.db2.gz JIULYLCUQUZFAP-UHFFFAOYSA-N 1 2 334.383 0.464 20 30 ECEDLO C=CCC[NH2+]Cc1cn(C2CN(C(=O)CCc3cnn[nH]3)C2)nn1 ZINC001105329898 741831928 /nfs/dbraw/zinc/83/19/28/741831928.db2.gz DDBFSFYINIRPJI-UHFFFAOYSA-N 1 2 330.396 0.078 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc4cnccc4n3)C2)nn1 ZINC001105332880 741989089 /nfs/dbraw/zinc/98/90/89/741989089.db2.gz CSQSQSWWKLHBSA-UHFFFAOYSA-N 1 2 347.382 0.641 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2cnsn2)CC1(C)C ZINC000974687556 742004900 /nfs/dbraw/zinc/00/49/00/742004900.db2.gz UXICFWLLWCPSDZ-GJZGRUSLSA-N 1 2 347.488 0.962 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2cnsn2)CC1(C)C ZINC000974687556 742004905 /nfs/dbraw/zinc/00/49/05/742004905.db2.gz UXICFWLLWCPSDZ-GJZGRUSLSA-N 1 2 347.488 0.962 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nc(CC)no2)C1 ZINC001026893994 742039517 /nfs/dbraw/zinc/03/95/17/742039517.db2.gz SUBVYIPMIGPVRN-CABCVRRESA-N 1 2 345.447 0.668 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nc(CC)no2)C1 ZINC001026893994 742039524 /nfs/dbraw/zinc/03/95/24/742039524.db2.gz SUBVYIPMIGPVRN-CABCVRRESA-N 1 2 345.447 0.668 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000975261314 742645309 /nfs/dbraw/zinc/64/53/09/742645309.db2.gz OXNZRHYHEQTNID-FPCVCCKLSA-N 1 2 344.415 0.534 20 30 ECEDLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCC#N)c2)CC1 ZINC000427898155 742989216 /nfs/dbraw/zinc/98/92/16/742989216.db2.gz VEVHMGAGOAOIQU-UHFFFAOYSA-N 1 2 329.404 0.402 20 30 ECEDLO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1nc(CCC(C)C)no1 ZINC001126002938 743221631 /nfs/dbraw/zinc/22/16/31/743221631.db2.gz PUOUIOYWINHDOI-UHFFFAOYSA-N 1 2 335.408 0.004 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCc2ccco2)[C@H](OC)C1 ZINC001211847657 743240952 /nfs/dbraw/zinc/24/09/52/743240952.db2.gz MRHAIBGMYJEZDR-HUUCEWRRSA-N 1 2 335.404 0.330 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCc2ccco2)[C@H](OC)C1 ZINC001211847657 743240959 /nfs/dbraw/zinc/24/09/59/743240959.db2.gz MRHAIBGMYJEZDR-HUUCEWRRSA-N 1 2 335.404 0.330 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](OC)C3CCC3)C2)nn1 ZINC001098694719 743463006 /nfs/dbraw/zinc/46/30/06/743463006.db2.gz HMMMKZTYDKKMQY-IRXDYDNUSA-N 1 2 345.447 0.980 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)CCc3c[nH+]cn3C)C2)cc1 ZINC000997333245 743499665 /nfs/dbraw/zinc/49/96/65/743499665.db2.gz WRLDMNMSUSSADV-UHFFFAOYSA-N 1 2 336.395 0.975 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CCOCC(C)C)[C@H](OC)C1 ZINC001211917783 751878482 /nfs/dbraw/zinc/87/84/82/751878482.db2.gz JNRQPJGGNRSULC-HZPDHXFCSA-N 1 2 326.437 0.514 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CCOCC(C)C)[C@H](OC)C1 ZINC001211917783 751878491 /nfs/dbraw/zinc/87/84/91/751878491.db2.gz JNRQPJGGNRSULC-HZPDHXFCSA-N 1 2 326.437 0.514 20 30 ECEDLO C#CC[NH2+][C@H]1CN(C(=O)CCc2cnn[nH]2)CC[C@@H]1C(F)(F)F ZINC000998299049 744106380 /nfs/dbraw/zinc/10/63/80/744106380.db2.gz CIDAHYNUEUWTKW-RYUDHWBXSA-N 1 2 329.326 0.740 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@H](C(F)(F)F)[C@H](NCC#N)C1 ZINC000998299907 744106939 /nfs/dbraw/zinc/10/69/39/744106939.db2.gz DELDKFZTVZXUGT-NWDGAFQWSA-N 1 2 329.326 0.855 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000976727891 744250958 /nfs/dbraw/zinc/25/09/58/744250958.db2.gz NPIBENWFOCSGQC-VEESAYDSSA-N 1 2 327.388 0.178 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000976729384 744252500 /nfs/dbraw/zinc/25/25/00/744252500.db2.gz QPZMBXOWOARVHO-NTASLKFISA-N 1 2 327.388 0.178 20 30 ECEDLO CN(C)c1noc(C[NH2+][C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000998958456 744429752 /nfs/dbraw/zinc/42/97/52/744429752.db2.gz WCYBPOFJPVMLJT-LBPRGKRZSA-N 1 2 343.391 0.730 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2c[nH+]cn2C)cc1 ZINC000976873455 744432515 /nfs/dbraw/zinc/43/25/15/744432515.db2.gz XROWAOJRTGFKCJ-DZFIZOCASA-N 1 2 348.406 0.831 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000976928987 744502032 /nfs/dbraw/zinc/50/20/32/744502032.db2.gz ZJFAEISPOGHDNU-IGOJGBNBSA-N 1 2 348.406 0.749 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001027528823 745097668 /nfs/dbraw/zinc/09/76/68/745097668.db2.gz BJRRUSDPCFRXCQ-JTQLQIEISA-N 1 2 343.229 0.655 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001027528823 745097676 /nfs/dbraw/zinc/09/76/76/745097676.db2.gz BJRRUSDPCFRXCQ-JTQLQIEISA-N 1 2 343.229 0.655 20 30 ECEDLO CN(CCCN(C)c1nccnc1C#N)C(=O)CCn1cc[nH+]c1 ZINC001112149153 745128235 /nfs/dbraw/zinc/12/82/35/745128235.db2.gz QAIKNUXRRKLSAK-UHFFFAOYSA-N 1 2 327.392 0.920 20 30 ECEDLO CN(C[C@@H]1CCN1C(=O)Cc1[nH]cc[nH+]1)C(=O)c1cc(C#N)c[nH]1 ZINC000977524067 745141734 /nfs/dbraw/zinc/14/17/34/745141734.db2.gz WWIMCKQEPFJOKR-LBPRGKRZSA-N 1 2 326.360 0.525 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cnnn3C)CC2(C)C)cn1 ZINC000977523863 745142020 /nfs/dbraw/zinc/14/20/20/745142020.db2.gz KWUNIVHKXXFRAH-MRXNPFEDSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cnnn3C)CC2(C)C)cn1 ZINC000977523863 745142025 /nfs/dbraw/zinc/14/20/25/745142025.db2.gz KWUNIVHKXXFRAH-MRXNPFEDSA-N 1 2 338.415 0.832 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000988387029 751975964 /nfs/dbraw/zinc/97/59/64/751975964.db2.gz CNKXTCXYJZDTNW-IMJJTQAJSA-N 1 2 346.431 0.850 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](OC)C3CCCCC3)C2)nn1 ZINC001105385105 745261952 /nfs/dbraw/zinc/26/19/52/745261952.db2.gz VBMHYWAIJNPPKF-QGZVFWFLSA-N 1 2 345.447 0.980 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3noc(CC)n3)C2)nn1 ZINC001020700024 751989131 /nfs/dbraw/zinc/98/91/31/751989131.db2.gz FJRLGZOQAQGBJJ-XYPYZODXSA-N 1 2 331.380 0.460 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)cn1 ZINC001083413916 745530771 /nfs/dbraw/zinc/53/07/71/745530771.db2.gz CJWXAZFIAPPSSF-CABCVRRESA-N 1 2 341.371 0.265 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)cn1 ZINC001083413916 745530775 /nfs/dbraw/zinc/53/07/75/745530775.db2.gz CJWXAZFIAPPSSF-CABCVRRESA-N 1 2 341.371 0.265 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001000577755 745613516 /nfs/dbraw/zinc/61/35/16/745613516.db2.gz PXBSOEVLEGHROS-HOCLYGCPSA-N 1 2 332.404 0.651 20 30 ECEDLO CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000977912164 745665089 /nfs/dbraw/zinc/66/50/89/745665089.db2.gz XUESMBDFMLZFAV-HOTGVXAUSA-N 1 2 340.427 0.918 20 30 ECEDLO N#CCN1CC=C(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001000986989 745953142 /nfs/dbraw/zinc/95/31/42/745953142.db2.gz YCUUKMBQOSFEGE-SJORKVTESA-N 1 2 348.447 0.138 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001059337593 746008088 /nfs/dbraw/zinc/00/80/88/746008088.db2.gz LLRSMBWDKQDPKE-AWEZNQCLSA-N 1 2 334.420 0.900 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001059337593 746008097 /nfs/dbraw/zinc/00/80/97/746008097.db2.gz LLRSMBWDKQDPKE-AWEZNQCLSA-N 1 2 334.420 0.900 20 30 ECEDLO O=C(Cc1cncnc1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083433164 752051997 /nfs/dbraw/zinc/05/19/97/752051997.db2.gz YWRCEJQPKYLQRC-MSOLQXFVSA-N 1 2 336.395 0.232 20 30 ECEDLO O=C(Cc1cncnc1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083433164 752052004 /nfs/dbraw/zinc/05/20/04/752052004.db2.gz YWRCEJQPKYLQRC-MSOLQXFVSA-N 1 2 336.395 0.232 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)COc3ccsc3)C2)nn1 ZINC001105361086 752067216 /nfs/dbraw/zinc/06/72/16/752067216.db2.gz QQQLMDVQTGBYLV-UHFFFAOYSA-N 1 2 331.401 0.525 20 30 ECEDLO Cn1ncc(C[NH+]2CCC(CNC(=O)c3c[nH]c(C#N)c3)CC2)n1 ZINC001001330973 746283273 /nfs/dbraw/zinc/28/32/73/746283273.db2.gz QZPZWPHLNXSKBA-UHFFFAOYSA-N 1 2 327.392 0.657 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000978428708 746311034 /nfs/dbraw/zinc/31/10/34/746311034.db2.gz BXRUDARHMGFPHM-LZWOXQAQSA-N 1 2 346.431 0.911 20 30 ECEDLO Cc1ccnc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)n1 ZINC001083435762 752092280 /nfs/dbraw/zinc/09/22/80/752092280.db2.gz KWDANJAKOKVFFX-CVEARBPZSA-N 1 2 337.383 0.632 20 30 ECEDLO Cc1ccnc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)n1 ZINC001083435762 752092285 /nfs/dbraw/zinc/09/22/85/752092285.db2.gz KWDANJAKOKVFFX-CVEARBPZSA-N 1 2 337.383 0.632 20 30 ECEDLO C#CC[N@@H+](C)[C@H]1CCCN(C(=O)c2cn[nH]c2-c2cnn(C)c2)C1 ZINC001027647738 746530740 /nfs/dbraw/zinc/53/07/40/746530740.db2.gz QRUKYQXSRGNIEJ-AWEZNQCLSA-N 1 2 326.404 0.980 20 30 ECEDLO C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2cn[nH]c2-c2cnn(C)c2)C1 ZINC001027647738 746530744 /nfs/dbraw/zinc/53/07/44/746530744.db2.gz QRUKYQXSRGNIEJ-AWEZNQCLSA-N 1 2 326.404 0.980 20 30 ECEDLO C=CCCCC(=O)N1CC[C@@H](n2cc(C[NH2+][C@@H]3CCNC3=O)nn2)C1 ZINC001098710599 746706768 /nfs/dbraw/zinc/70/67/68/746706768.db2.gz HKKXBEMGMCCYRB-HUUCEWRRSA-N 1 2 346.435 0.386 20 30 ECEDLO C=CCCCC(=O)N1CC[C@H](n2cc(C[NH2+][C@H](C)C(=O)NC)nn2)C1 ZINC001098710686 746712301 /nfs/dbraw/zinc/71/23/01/746712301.db2.gz JJXJLYTYTFOEBW-HIFRSBDPSA-N 1 2 348.451 0.632 20 30 ECEDLO Cc1nc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)co1 ZINC001083420318 746738668 /nfs/dbraw/zinc/73/86/68/746738668.db2.gz XVWFMAMFKJNCRS-ZBFHGGJFSA-N 1 2 326.356 0.830 20 30 ECEDLO Cc1nc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)co1 ZINC001083420318 746738671 /nfs/dbraw/zinc/73/86/71/746738671.db2.gz XVWFMAMFKJNCRS-ZBFHGGJFSA-N 1 2 326.356 0.830 20 30 ECEDLO CO[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@H]1NC(=O)CSCC#N ZINC001211886721 746742318 /nfs/dbraw/zinc/74/23/18/746742318.db2.gz VTKZWIFOKDUDDK-ZIAGYGMSSA-N 1 2 338.433 0.864 20 30 ECEDLO CO[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@H]1NC(=O)CSCC#N ZINC001211886721 746742322 /nfs/dbraw/zinc/74/23/22/746742322.db2.gz VTKZWIFOKDUDDK-ZIAGYGMSSA-N 1 2 338.433 0.864 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3cn[nH]c3)C2)nn1 ZINC001105340706 746744371 /nfs/dbraw/zinc/74/43/71/746744371.db2.gz MLSKKCOSTKJTLR-UHFFFAOYSA-N 1 2 327.392 0.130 20 30 ECEDLO C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)Cc3cnc[nH]3)C2)nn1 ZINC001105340620 746753915 /nfs/dbraw/zinc/75/39/15/746753915.db2.gz IAESVNHUNHALAD-CYBMUJFWSA-N 1 2 341.419 0.376 20 30 ECEDLO C=CCn1cc(C(=O)NCC2CC[NH+](Cc3nncn3C)CC2)nn1 ZINC001001918844 746807272 /nfs/dbraw/zinc/80/72/72/746807272.db2.gz LXYHKSLJNXUULN-UHFFFAOYSA-N 1 2 344.423 0.235 20 30 ECEDLO CN1CCOC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC001007154201 752135122 /nfs/dbraw/zinc/13/51/22/752135122.db2.gz DVYHPDUQJVGNEO-MSOLQXFVSA-N 1 2 342.443 0.969 20 30 ECEDLO CN1CCOC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC001007154201 752135123 /nfs/dbraw/zinc/13/51/23/752135123.db2.gz DVYHPDUQJVGNEO-MSOLQXFVSA-N 1 2 342.443 0.969 20 30 ECEDLO C#CCOc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)NC)cc1 ZINC001029504765 747195319 /nfs/dbraw/zinc/19/53/19/747195319.db2.gz SYCIBPUUIBRCRU-IYBDPMFKSA-N 1 2 341.411 0.733 20 30 ECEDLO C#CCOc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NC)cc1 ZINC001029504765 747195324 /nfs/dbraw/zinc/19/53/24/747195324.db2.gz SYCIBPUUIBRCRU-IYBDPMFKSA-N 1 2 341.411 0.733 20 30 ECEDLO C#CCOc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H](C)C(N)=O)cc1 ZINC001029506318 747196661 /nfs/dbraw/zinc/19/66/61/747196661.db2.gz JNUXEWFYAHEJLH-BMFZPTHFSA-N 1 2 341.411 0.861 20 30 ECEDLO C#CCOc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)C(N)=O)cc1 ZINC001029506318 747196668 /nfs/dbraw/zinc/19/66/68/747196668.db2.gz JNUXEWFYAHEJLH-BMFZPTHFSA-N 1 2 341.411 0.861 20 30 ECEDLO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)C[C@@H]2C1 ZINC001088143368 747501555 /nfs/dbraw/zinc/50/15/55/747501555.db2.gz SXYVXTRAYJRFLH-OLZOCXBDSA-N 1 2 342.403 0.038 20 30 ECEDLO C=CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)C[C@@H]2C1 ZINC001088143368 747501557 /nfs/dbraw/zinc/50/15/57/747501557.db2.gz SXYVXTRAYJRFLH-OLZOCXBDSA-N 1 2 342.403 0.038 20 30 ECEDLO Cc1nnc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)o1 ZINC000979287209 747539040 /nfs/dbraw/zinc/53/90/40/747539040.db2.gz DJSLMJRWWXAHPJ-HZMBPMFUSA-N 1 2 344.375 0.597 20 30 ECEDLO C[C@H]([NH2+]Cc1nc(N(C)C)no1)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC000979342507 747646927 /nfs/dbraw/zinc/64/69/27/747646927.db2.gz YQLQNZPINNPPGJ-JSGCOSHPSA-N 1 2 347.419 0.255 20 30 ECEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001002722252 747699279 /nfs/dbraw/zinc/69/92/79/747699279.db2.gz LLSBOKJBVVWNFJ-JTQLQIEISA-N 1 2 332.198 0.584 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](OC)C(C)C)C2)nn1 ZINC001098723516 747758240 /nfs/dbraw/zinc/75/82/40/747758240.db2.gz YBQCYUQKAQRLEF-JKSUJKDBSA-N 1 2 333.436 0.835 20 30 ECEDLO C#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001088240133 747942896 /nfs/dbraw/zinc/94/28/96/747942896.db2.gz PRDWEBZMAOGSJB-HNNXBMFYSA-N 1 2 331.420 0.310 20 30 ECEDLO C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001088240133 747942899 /nfs/dbraw/zinc/94/28/99/747942899.db2.gz PRDWEBZMAOGSJB-HNNXBMFYSA-N 1 2 331.420 0.310 20 30 ECEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)ccc1F ZINC001007265343 752236460 /nfs/dbraw/zinc/23/64/60/752236460.db2.gz WWAUXRWEWCUZLA-HIFRSBDPSA-N 1 2 346.362 0.886 20 30 ECEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)ccc1F ZINC001007265343 752236465 /nfs/dbraw/zinc/23/64/65/752236465.db2.gz WWAUXRWEWCUZLA-HIFRSBDPSA-N 1 2 346.362 0.886 20 30 ECEDLO CCCn1nnnc1C[N@H+](C)C[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001029734390 748177028 /nfs/dbraw/zinc/17/70/28/748177028.db2.gz WPRQAOCMISDMRO-HNNXBMFYSA-N 1 2 330.436 0.777 20 30 ECEDLO CCCn1nnnc1C[N@@H+](C)C[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001029734390 748177034 /nfs/dbraw/zinc/17/70/34/748177034.db2.gz WPRQAOCMISDMRO-HNNXBMFYSA-N 1 2 330.436 0.777 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[C@@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001059554215 748303025 /nfs/dbraw/zinc/30/30/25/748303025.db2.gz DAEQTFPTHDSBPD-KDOFPFPSSA-N 1 2 348.447 0.943 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001059555828 748330723 /nfs/dbraw/zinc/33/07/23/748330723.db2.gz XPZXHTXMRQIYMF-KBXCAEBGSA-N 1 2 348.447 0.645 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccc4nc[nH]c43)C2)nn1 ZINC001105345479 748891843 /nfs/dbraw/zinc/89/18/43/748891843.db2.gz BYPYZJVAJIRQIU-UHFFFAOYSA-N 1 2 349.398 0.964 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)nc1 ZINC000980080635 748949459 /nfs/dbraw/zinc/94/94/59/748949459.db2.gz GZKFGVUCQPEHCZ-SHTZXODSSA-N 1 2 337.383 0.584 20 30 ECEDLO N#Cc1ccc(C(=O)NC2CCC(NC(=O)Cn3cc[nH+]c3)CC2)[nH]1 ZINC000980130502 749058175 /nfs/dbraw/zinc/05/81/75/749058175.db2.gz WEMNKCSGJSMWOP-UHFFFAOYSA-N 1 2 340.387 0.940 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC[C@@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001059645871 749090804 /nfs/dbraw/zinc/09/08/04/749090804.db2.gz JHABHEPDYQFSLK-LSDHHAIUSA-N 1 2 346.431 0.735 20 30 ECEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001004001930 749130118 /nfs/dbraw/zinc/13/01/18/749130118.db2.gz OVVJTHBDYCTZFP-NSHDSACASA-N 1 2 330.226 0.754 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3CCOC3)CC2)CC1 ZINC000985827228 749189576 /nfs/dbraw/zinc/18/95/76/749189576.db2.gz XQPJTBNRYFXWPK-HNNXBMFYSA-N 1 2 336.436 0.091 20 30 ECEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cc(C(N)=O)c[nH]2)CC1 ZINC001004586439 749657744 /nfs/dbraw/zinc/65/77/44/749657744.db2.gz SGGMQZSRYGIIED-OAHLLOKOSA-N 1 2 329.404 0.954 20 30 ECEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cc(C(N)=O)c[nH]2)CC1 ZINC001004586439 749657749 /nfs/dbraw/zinc/65/77/49/749657749.db2.gz SGGMQZSRYGIIED-OAHLLOKOSA-N 1 2 329.404 0.954 20 30 ECEDLO C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001004691558 749756847 /nfs/dbraw/zinc/75/68/47/749756847.db2.gz VNJPTHKKWQTFFG-IAQYHMDHSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001004738066 749801335 /nfs/dbraw/zinc/80/13/35/749801335.db2.gz SGSOMFNSROTTHR-SMDDNHRTSA-N 1 2 340.387 0.819 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](C)OCC3CC3)C2)nn1 ZINC001098633480 749958741 /nfs/dbraw/zinc/95/87/41/749958741.db2.gz LGJIYLMUDKJGOS-XJKSGUPXSA-N 1 2 331.420 0.589 20 30 ECEDLO CN(CCN(C)c1ccnc(C#N)n1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001105434319 750086435 /nfs/dbraw/zinc/08/64/35/750086435.db2.gz QGJVCODAELDAKD-UHFFFAOYSA-N 1 2 346.435 0.354 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001027979281 750155990 /nfs/dbraw/zinc/15/59/90/750155990.db2.gz XGOATKATUKAFGP-VXGBXAGGSA-N 1 2 339.827 0.879 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001027979281 750155995 /nfs/dbraw/zinc/15/59/95/750155995.db2.gz XGOATKATUKAFGP-VXGBXAGGSA-N 1 2 339.827 0.879 20 30 ECEDLO C[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC001005058670 750189805 /nfs/dbraw/zinc/18/98/05/750189805.db2.gz VZPCXSKVYCXJTO-CJNGLKHVSA-N 1 2 328.416 0.729 20 30 ECEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)Cn2cnnn2)CC1 ZINC001005089082 750217549 /nfs/dbraw/zinc/21/75/49/750217549.db2.gz RTKQNIYFQBWCCO-UHFFFAOYSA-N 1 2 343.229 0.505 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001028072276 750497035 /nfs/dbraw/zinc/49/70/35/750497035.db2.gz KDTWNLRAPJBKMR-WDEREUQCSA-N 1 2 330.226 0.612 20 30 ECEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001028072276 750497039 /nfs/dbraw/zinc/49/70/39/750497039.db2.gz KDTWNLRAPJBKMR-WDEREUQCSA-N 1 2 330.226 0.612 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3csnn3)[C@@H]2C)nn1 ZINC000987136096 750525220 /nfs/dbraw/zinc/52/52/20/750525220.db2.gz SOINONFJNXOMEU-JQWIXIFHSA-N 1 2 333.421 0.708 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(C)o3)[C@H]2C)nn1 ZINC000987137317 750532924 /nfs/dbraw/zinc/53/29/24/750532924.db2.gz XXOBRUHZBLECKR-ZYHUDNBSSA-N 1 2 331.380 0.548 20 30 ECEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001028076796 750536678 /nfs/dbraw/zinc/53/66/78/750536678.db2.gz XWOOOMZBYAVGRD-WDEREUQCSA-N 1 2 345.241 0.499 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001028076796 750536680 /nfs/dbraw/zinc/53/66/80/750536680.db2.gz XWOOOMZBYAVGRD-WDEREUQCSA-N 1 2 345.241 0.499 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3scnc3C)C2)nn1 ZINC001105356386 750556014 /nfs/dbraw/zinc/55/60/14/750556014.db2.gz NOHIFTRYRNSXGR-UHFFFAOYSA-N 1 2 344.444 0.782 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)C2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC001005967546 750863674 /nfs/dbraw/zinc/86/36/74/750863674.db2.gz AYZHYIRTGYNJOK-UHFFFAOYSA-N 1 2 349.456 0.644 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001028109322 750911445 /nfs/dbraw/zinc/91/14/45/750911445.db2.gz GTBASXYTIRAPFT-UWVGGRQHSA-N 1 2 331.214 0.157 20 30 ECEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001028109322 750911447 /nfs/dbraw/zinc/91/14/47/750911447.db2.gz GTBASXYTIRAPFT-UWVGGRQHSA-N 1 2 331.214 0.157 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)Cc1c[nH+]cn1C ZINC000987650349 751054894 /nfs/dbraw/zinc/05/48/94/751054894.db2.gz YLTSBXYXWXGYOK-ABAIWWIYSA-N 1 2 340.387 0.582 20 30 ECEDLO C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CN(C(=O)C#CC2CC2)C1 ZINC001006313997 751233271 /nfs/dbraw/zinc/23/32/71/751233271.db2.gz VOUJHWVVXYOXQP-HIFRSBDPSA-N 1 2 340.427 0.822 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)COCCCC)[C@H](OC)C1 ZINC001212075812 752658585 /nfs/dbraw/zinc/65/85/85/752658585.db2.gz BKIJUDCXQKJARI-RRFJBIMHSA-N 1 2 341.452 0.309 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)COCCCC)[C@H](OC)C1 ZINC001212075812 752658588 /nfs/dbraw/zinc/65/85/88/752658588.db2.gz BKIJUDCXQKJARI-RRFJBIMHSA-N 1 2 341.452 0.309 20 30 ECEDLO C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001075921496 752730038 /nfs/dbraw/zinc/73/00/38/752730038.db2.gz ZKVMFEOOWALSBN-YOEHRIQHSA-N 1 2 348.447 0.898 20 30 ECEDLO CN(C)c1noc(C[N@@H+]2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001028470172 752771121 /nfs/dbraw/zinc/77/11/21/752771121.db2.gz DWUQRNAJGBGTOS-NSHDSACASA-N 1 2 343.391 0.587 20 30 ECEDLO CN(C)c1noc(C[N@H+]2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001028470172 752771125 /nfs/dbraw/zinc/77/11/25/752771125.db2.gz DWUQRNAJGBGTOS-NSHDSACASA-N 1 2 343.391 0.587 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)nc2)C[C@H]1OC ZINC001212178111 752775344 /nfs/dbraw/zinc/77/53/44/752775344.db2.gz JDFWJCIOVXPWJR-RKVPGOIHSA-N 1 2 349.431 0.733 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)nc2)C[C@H]1OC ZINC001212178111 752775354 /nfs/dbraw/zinc/77/53/54/752775354.db2.gz JDFWJCIOVXPWJR-RKVPGOIHSA-N 1 2 349.431 0.733 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)c1 ZINC001021327248 752778083 /nfs/dbraw/zinc/77/80/83/752778083.db2.gz NLZNOJQQQKZIME-SWLSCSKDSA-N 1 2 338.371 0.525 20 30 ECEDLO CN(C)c1noc(C[N@@H+]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001028491246 752834106 /nfs/dbraw/zinc/83/41/06/752834106.db2.gz UVWYWEHQLWGENC-LLVKDONJSA-N 1 2 343.391 0.587 20 30 ECEDLO CN(C)c1noc(C[N@H+]2CC[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001028491246 752834113 /nfs/dbraw/zinc/83/41/13/752834113.db2.gz UVWYWEHQLWGENC-LLVKDONJSA-N 1 2 343.391 0.587 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@]2(C1)CN(C(=O)CCn1cc[nH+]c1)CCO2 ZINC001007716989 752853554 /nfs/dbraw/zinc/85/35/54/752853554.db2.gz KFADGZSOPDXZPI-PBHICJAKSA-N 1 2 345.403 0.263 20 30 ECEDLO Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)n1 ZINC001059016632 753074380 /nfs/dbraw/zinc/07/43/80/753074380.db2.gz MNNVJNFYCHBZQT-ZDUSSCGKSA-N 1 2 325.376 0.956 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1nc(CC(F)(F)F)no1 ZINC001126378825 753081422 /nfs/dbraw/zinc/08/14/22/753081422.db2.gz TVURQYQQZKZUMC-GFCCVEGCSA-N 1 2 336.314 0.707 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3(CCOC)CC3)C2)nn1 ZINC001098680347 753394730 /nfs/dbraw/zinc/39/47/30/753394730.db2.gz FHJYVPABEQSPKA-MRXNPFEDSA-N 1 2 345.447 0.981 20 30 ECEDLO C=C(C)CCC(=O)N1CC[C@H](n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001098680715 753582446 /nfs/dbraw/zinc/58/24/46/753582446.db2.gz IHTJHPFCWIIAGP-JSGCOSHPSA-N 1 2 334.424 0.371 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O)[C@H]1CCOC1 ZINC001083361578 753679412 /nfs/dbraw/zinc/67/94/12/753679412.db2.gz UZDOWFGJLHIWRF-UAGQMJEPSA-N 1 2 348.830 0.889 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O)[C@H]1CCOC1 ZINC001083361578 753679417 /nfs/dbraw/zinc/67/94/17/753679417.db2.gz UZDOWFGJLHIWRF-UAGQMJEPSA-N 1 2 348.830 0.889 20 30 ECEDLO N#Cc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CCOC3)[C@@H](O)C2)ccc1F ZINC001083360984 753681505 /nfs/dbraw/zinc/68/15/05/753681505.db2.gz CBOOGHRBUBJWDC-MAZHCROVSA-N 1 2 333.363 0.395 20 30 ECEDLO N#Cc1cc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CCOC3)[C@@H](O)C2)ccc1F ZINC001083360984 753681510 /nfs/dbraw/zinc/68/15/10/753681510.db2.gz CBOOGHRBUBJWDC-MAZHCROVSA-N 1 2 333.363 0.395 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001059973368 753761894 /nfs/dbraw/zinc/76/18/94/753761894.db2.gz WCCCUUPQDYHXFW-KDOFPFPSSA-N 1 2 348.447 0.645 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C3C(C)(C)C3(C)C)[C@@H](O)C2)C1=O ZINC001083390962 753787028 /nfs/dbraw/zinc/78/70/28/753787028.db2.gz OLFCZHRLKYSKPJ-MCIONIFRSA-N 1 2 349.475 0.617 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C3C(C)(C)C3(C)C)[C@@H](O)C2)C1=O ZINC001083390962 753787031 /nfs/dbraw/zinc/78/70/31/753787031.db2.gz OLFCZHRLKYSKPJ-MCIONIFRSA-N 1 2 349.475 0.617 20 30 ECEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001083392240 753788082 /nfs/dbraw/zinc/78/80/82/753788082.db2.gz YVLNSKVRBUSUTD-CABCVRRESA-N 1 2 329.360 0.466 20 30 ECEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001083392240 753788087 /nfs/dbraw/zinc/78/80/87/753788087.db2.gz YVLNSKVRBUSUTD-CABCVRRESA-N 1 2 329.360 0.466 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CC[C@@H]3CC[C@@H](C)O3)C2)nn1 ZINC001105375824 753829488 /nfs/dbraw/zinc/82/94/88/753829488.db2.gz QWCNWCJTTAQFBW-CJNGLKHVSA-N 1 2 331.420 0.732 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCN(C)c1ccc(C#N)nn1 ZINC001105577884 753852603 /nfs/dbraw/zinc/85/26/03/753852603.db2.gz ZJLMMANWXVKCFT-GFCCVEGCSA-N 1 2 327.392 0.845 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCN(C)c1ccc(C#N)nn1 ZINC001105577884 753852608 /nfs/dbraw/zinc/85/26/08/753852608.db2.gz ZJLMMANWXVKCFT-GFCCVEGCSA-N 1 2 327.392 0.845 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3ccnnc3)C2)C1=O ZINC001008640952 753982185 /nfs/dbraw/zinc/98/21/85/753982185.db2.gz MMWHHSCTIAZKMO-LSDHHAIUSA-N 1 2 329.404 0.458 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3ccnnc3)C2)C1=O ZINC001008640952 753982191 /nfs/dbraw/zinc/98/21/91/753982191.db2.gz MMWHHSCTIAZKMO-LSDHHAIUSA-N 1 2 329.404 0.458 20 30 ECEDLO C=CCCn1cc(C(=O)N2C[C@H]([NH2+]Cc3nc(C)no3)C[C@@H]2C)nn1 ZINC000989544298 754092808 /nfs/dbraw/zinc/09/28/08/754092808.db2.gz QMQLONWXTBZTII-WCQYABFASA-N 1 2 345.407 0.938 20 30 ECEDLO C=CCCn1cc(C(=O)N2C[C@H]([NH2+]Cc3nnc(C)o3)C[C@H]2C)nn1 ZINC000989544666 754093425 /nfs/dbraw/zinc/09/34/25/754093425.db2.gz VLTCXDRYQQHNTH-DGCLKSJQSA-N 1 2 345.407 0.938 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H](C)C(N)=O)C2)cc1 ZINC001008793508 754124585 /nfs/dbraw/zinc/12/45/85/754124585.db2.gz UWKIKUKXNPQXDP-DZGCQCFKSA-N 1 2 329.400 0.767 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)C(N)=O)C2)cc1 ZINC001008793508 754124589 /nfs/dbraw/zinc/12/45/89/754124589.db2.gz UWKIKUKXNPQXDP-DZGCQCFKSA-N 1 2 329.400 0.767 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3nccnc3C)C2)nn1 ZINC001008797142 754129190 /nfs/dbraw/zinc/12/91/90/754129190.db2.gz CKNWJMPJQQYABV-AWEZNQCLSA-N 1 2 341.419 0.957 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3nccnc3C)C2)nn1 ZINC001008797142 754129193 /nfs/dbraw/zinc/12/91/93/754129193.db2.gz CKNWJMPJQQYABV-AWEZNQCLSA-N 1 2 341.419 0.957 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001008847610 754198219 /nfs/dbraw/zinc/19/82/19/754198219.db2.gz URZHPJWQECGCOC-LOIXOFCESA-N 1 2 340.811 0.308 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001008847610 754198222 /nfs/dbraw/zinc/19/82/22/754198222.db2.gz URZHPJWQECGCOC-LOIXOFCESA-N 1 2 340.811 0.308 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000982935952 754229999 /nfs/dbraw/zinc/22/99/99/754229999.db2.gz SMGLJYVWBSAVQH-OAGGEKHMSA-N 1 2 346.431 0.829 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)c1 ZINC001008920810 754311615 /nfs/dbraw/zinc/31/16/15/754311615.db2.gz LBBNKTWARPJBBU-XYYAHUGASA-N 1 2 338.371 0.286 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3ccnc(C)n3)CC2)C1=O ZINC000989689644 754314453 /nfs/dbraw/zinc/31/44/53/754314453.db2.gz QNYXVQBJQGBGNL-INIZCTEOSA-N 1 2 343.431 0.720 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3ccnc(C)n3)CC2)C1=O ZINC000989689644 754314460 /nfs/dbraw/zinc/31/44/60/754314460.db2.gz QNYXVQBJQGBGNL-INIZCTEOSA-N 1 2 343.431 0.720 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCC[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001060002537 754576527 /nfs/dbraw/zinc/57/65/27/754576527.db2.gz WUBGFRZYHCAEIK-QAPCUYQASA-N 1 2 348.447 0.955 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3ccnc(C)n3)C2)C1=O ZINC001009553159 754999099 /nfs/dbraw/zinc/99/90/99/754999099.db2.gz RNLROXQYGUOUPQ-GOEBONIOSA-N 1 2 343.431 0.766 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3ccnc(C)n3)C2)C1=O ZINC001009553159 754999102 /nfs/dbraw/zinc/99/91/02/754999102.db2.gz RNLROXQYGUOUPQ-GOEBONIOSA-N 1 2 343.431 0.766 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ncnn2CC)C1 ZINC001028809122 755197729 /nfs/dbraw/zinc/19/77/29/755197729.db2.gz KLPMQSMYZBYJKW-KFWWJZLASA-N 1 2 333.436 0.827 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ncnn2CC)C1 ZINC001028809122 755197732 /nfs/dbraw/zinc/19/77/32/755197732.db2.gz KLPMQSMYZBYJKW-KFWWJZLASA-N 1 2 333.436 0.827 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3nc(C)no3)C2)nn1 ZINC001028851221 755307588 /nfs/dbraw/zinc/30/75/88/755307588.db2.gz JFZBVHJZUICMOH-GFCCVEGCSA-N 1 2 331.380 0.407 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3nc(C)no3)C2)nn1 ZINC001028851221 755307596 /nfs/dbraw/zinc/30/75/96/755307596.db2.gz JFZBVHJZUICMOH-GFCCVEGCSA-N 1 2 331.380 0.407 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ncnn3C)C2)nn1 ZINC001028856700 755319801 /nfs/dbraw/zinc/31/98/01/755319801.db2.gz NNFFLPXZPVBFJM-ZDUSSCGKSA-N 1 2 344.423 0.235 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3ncnn3C)C2)nn1 ZINC001028856700 755319807 /nfs/dbraw/zinc/31/98/07/755319807.db2.gz NNFFLPXZPVBFJM-ZDUSSCGKSA-N 1 2 344.423 0.235 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001060041647 755346952 /nfs/dbraw/zinc/34/69/52/755346952.db2.gz CFMCYZDVOLKFOY-HUUCEWRRSA-N 1 2 346.431 0.654 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC000983363692 755402092 /nfs/dbraw/zinc/40/20/92/755402092.db2.gz GRGQPAHVFZDHBB-NSHDSACASA-N 1 2 326.360 0.430 20 30 ECEDLO N#Cc1cnc(NC[C@@H](O)CNC(=O)Cn2cc[nH+]c2)c(Cl)c1 ZINC001105882540 762389313 /nfs/dbraw/zinc/38/93/13/762389313.db2.gz HOUVZEVTNHISMO-NSHDSACASA-N 1 2 334.767 0.392 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(-c3ccn(C)c3)n[nH]2)[C@@H](O)C1 ZINC001083514063 755827132 /nfs/dbraw/zinc/82/71/32/755827132.db2.gz MBDJEGVGQCMURM-CVEARBPZSA-N 1 2 327.388 0.213 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(-c3ccn(C)c3)n[nH]2)[C@@H](O)C1 ZINC001083514063 755827138 /nfs/dbraw/zinc/82/71/38/755827138.db2.gz MBDJEGVGQCMURM-CVEARBPZSA-N 1 2 327.388 0.213 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)[C@H]3COCCO3)C2)c1 ZINC001010254538 755890645 /nfs/dbraw/zinc/89/06/45/755890645.db2.gz NGLNARLODFOVJF-GOEBONIOSA-N 1 2 333.363 0.803 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)[C@H]3COCCO3)C2)c1 ZINC001010254538 755890652 /nfs/dbraw/zinc/89/06/52/755890652.db2.gz NGLNARLODFOVJF-GOEBONIOSA-N 1 2 333.363 0.803 20 30 ECEDLO C[C@@H]1C[C@H](CNC(=O)c2ccc(C#N)[nH]2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001010281641 755935615 /nfs/dbraw/zinc/93/56/15/755935615.db2.gz VOTQTCQCHKJKLZ-VXGBXAGGSA-N 1 2 340.387 0.819 20 30 ECEDLO COc1cncc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001010659706 756362039 /nfs/dbraw/zinc/36/20/39/756362039.db2.gz WIROLQYTWMKADV-GFCCVEGCSA-N 1 2 326.360 0.689 20 30 ECEDLO COc1cncc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001010659706 756362043 /nfs/dbraw/zinc/36/20/43/756362043.db2.gz WIROLQYTWMKADV-GFCCVEGCSA-N 1 2 326.360 0.689 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H](C)CCNC(=O)CCc2[nH]cc[nH+]2)nn1 ZINC001076320052 756366099 /nfs/dbraw/zinc/36/60/99/756366099.db2.gz VIIZXOROIZQILO-LBPRGKRZSA-N 1 2 345.407 0.445 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)CN2CCOCC2)C1 ZINC001010670173 756376684 /nfs/dbraw/zinc/37/66/84/756376684.db2.gz OUEQKPIGPBPUCF-QGZVFWFLSA-N 1 2 328.416 0.581 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)CN2CCOCC2)C1 ZINC001010670173 756376690 /nfs/dbraw/zinc/37/66/90/756376690.db2.gz OUEQKPIGPBPUCF-QGZVFWFLSA-N 1 2 328.416 0.581 20 30 ECEDLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083547474 756463154 /nfs/dbraw/zinc/46/31/54/756463154.db2.gz NAYOMKROTLFFNZ-CABCVRRESA-N 1 2 340.383 0.250 20 30 ECEDLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083547474 756463157 /nfs/dbraw/zinc/46/31/57/756463157.db2.gz NAYOMKROTLFFNZ-CABCVRRESA-N 1 2 340.383 0.250 20 30 ECEDLO C#CCOCCC(=O)NCC[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001076507754 756578851 /nfs/dbraw/zinc/57/88/51/756578851.db2.gz UPEYZPXTBTYUIH-AWEZNQCLSA-N 1 2 347.415 0.684 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001076511617 756606663 /nfs/dbraw/zinc/60/66/63/756606663.db2.gz AOQMLBOGTIYTKW-DZGCQCFKSA-N 1 2 348.447 0.976 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001010925302 756674446 /nfs/dbraw/zinc/67/44/46/756674446.db2.gz NTGLPKPKOMHHNU-GFCCVEGCSA-N 1 2 340.387 0.773 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001010925302 756674451 /nfs/dbraw/zinc/67/44/51/756674451.db2.gz NTGLPKPKOMHHNU-GFCCVEGCSA-N 1 2 340.387 0.773 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C3(C4CC4)CC3)[C@@H](O)C2)C1=O ZINC001083552003 756791812 /nfs/dbraw/zinc/79/18/12/756791812.db2.gz MRHPQWBZXPAOLK-KFWWJZLASA-N 1 2 333.432 0.125 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C3(C4CC4)CC3)[C@@H](O)C2)C1=O ZINC001083552003 756791815 /nfs/dbraw/zinc/79/18/15/756791815.db2.gz MRHPQWBZXPAOLK-KFWWJZLASA-N 1 2 333.432 0.125 20 30 ECEDLO N#Cc1cc(C(=O)NC2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)c[nH]1 ZINC000990932303 756913670 /nfs/dbraw/zinc/91/36/70/756913670.db2.gz LSYNKRVZSNTRQJ-NSHDSACASA-N 1 2 338.371 0.286 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccoc3C)C2)C1=O ZINC001076724842 756918686 /nfs/dbraw/zinc/91/86/86/756918686.db2.gz PCIYRUIVKOZPQT-RBSFLKMASA-N 1 2 333.388 0.150 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccoc3C)C2)C1=O ZINC001076724842 756918687 /nfs/dbraw/zinc/91/86/87/756918687.db2.gz PCIYRUIVKOZPQT-RBSFLKMASA-N 1 2 333.388 0.150 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cccn3)C2)s1 ZINC001076741233 756936549 /nfs/dbraw/zinc/93/65/49/756936549.db2.gz AFRWTZCLRFXVKU-ZIAGYGMSSA-N 1 2 331.401 0.178 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cccn3)C2)s1 ZINC001076741233 756936553 /nfs/dbraw/zinc/93/65/53/756936553.db2.gz AFRWTZCLRFXVKU-ZIAGYGMSSA-N 1 2 331.401 0.178 20 30 ECEDLO C=CC(C)(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001048770138 756941789 /nfs/dbraw/zinc/94/17/89/756941789.db2.gz ZZOPZDSTNZEXCT-KBPBESRZSA-N 1 2 348.447 0.975 20 30 ECEDLO Cc1nnc(C[N@H+]2C[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]3C2)[nH]1 ZINC001048779189 756966526 /nfs/dbraw/zinc/96/65/26/756966526.db2.gz PODRCIZBRVNJRU-BETUJISGSA-N 1 2 325.376 0.517 20 30 ECEDLO Cc1nnc(C[N@@H+]2C[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]3C2)[nH]1 ZINC001048779189 756966535 /nfs/dbraw/zinc/96/65/35/756966535.db2.gz PODRCIZBRVNJRU-BETUJISGSA-N 1 2 325.376 0.517 20 30 ECEDLO C[C@H](c1nnnn1C1CC1)[N@H+]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 ZINC001048810663 757067545 /nfs/dbraw/zinc/06/75/45/757067545.db2.gz RLPUHLDDMIOUKG-YUELXQCFSA-N 1 2 340.431 0.873 20 30 ECEDLO C[C@H](c1nnnn1C1CC1)[N@@H+]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 ZINC001048810663 757067552 /nfs/dbraw/zinc/06/75/52/757067552.db2.gz RLPUHLDDMIOUKG-YUELXQCFSA-N 1 2 340.431 0.873 20 30 ECEDLO CC(C)(C)n1nnnc1C[N@H+]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 ZINC001048809980 757068778 /nfs/dbraw/zinc/06/87/78/757068778.db2.gz COVIBSGHDGNHMF-GASCZTMLSA-N 1 2 342.447 0.732 20 30 ECEDLO CC(C)(C)n1nnnc1C[N@@H+]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 ZINC001048809980 757068790 /nfs/dbraw/zinc/06/87/90/757068790.db2.gz COVIBSGHDGNHMF-GASCZTMLSA-N 1 2 342.447 0.732 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3[nH]ccc3C)nn2)C1 ZINC001107164158 757198323 /nfs/dbraw/zinc/19/83/23/757198323.db2.gz SLWOOKOKUBOJEV-UHFFFAOYSA-N 1 2 344.419 0.904 20 30 ECEDLO C=CCC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1O ZINC001048866558 757228380 /nfs/dbraw/zinc/22/83/80/757228380.db2.gz UFKCSQQMTPZZRE-GJZGRUSLSA-N 1 2 348.447 0.893 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@H](OC)C3CC3)nn2)C1 ZINC001107167339 757233505 /nfs/dbraw/zinc/23/35/05/757233505.db2.gz QZWRUMYMVREEPK-MRXNPFEDSA-N 1 2 349.435 0.379 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ncc(C)o3)C[C@@H]2C1 ZINC001048868713 757234386 /nfs/dbraw/zinc/23/43/86/757234386.db2.gz JYZFUSRMYGGOFO-BBWFWOEESA-N 1 2 342.443 0.971 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ncc(C)o3)C[C@@H]2C1 ZINC001048868713 757234389 /nfs/dbraw/zinc/23/43/89/757234389.db2.gz JYZFUSRMYGGOFO-BBWFWOEESA-N 1 2 342.443 0.971 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)Cn3cc(C4CC4)nn3)nn2)C1 ZINC001107179313 757295728 /nfs/dbraw/zinc/29/57/28/757295728.db2.gz IDHRBOYAEVWGBH-UHFFFAOYSA-N 1 2 342.407 0.106 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)Cc3cnn(C)c3C)nn2)C1 ZINC001107178377 757335129 /nfs/dbraw/zinc/33/51/29/757335129.db2.gz VDOWDZQIQZSKBK-UHFFFAOYSA-N 1 2 329.408 0.222 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](OC)C3CCC3)nn2)C1 ZINC001107187300 757389676 /nfs/dbraw/zinc/38/96/76/757389676.db2.gz XCXQJCFASNZQJU-MRXNPFEDSA-N 1 2 331.420 0.589 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)C(F)(F)F)nn2)C1 ZINC001107190969 757442573 /nfs/dbraw/zinc/44/25/73/757442573.db2.gz KHGGZOYDIAGORS-SNVBAGLBSA-N 1 2 329.326 0.973 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)ncn1 ZINC001076893269 757496462 /nfs/dbraw/zinc/49/64/62/757496462.db2.gz OICSXYWTFDRSGI-IAGOWNOFSA-N 1 2 337.383 0.632 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)ncn1 ZINC001076893269 757496467 /nfs/dbraw/zinc/49/64/67/757496467.db2.gz OICSXYWTFDRSGI-IAGOWNOFSA-N 1 2 337.383 0.632 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3coc(C)c3)C2)C1=O ZINC001076929013 757629435 /nfs/dbraw/zinc/62/94/35/757629435.db2.gz MPJSZWDEGAGIAP-RBSFLKMASA-N 1 2 333.388 0.150 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3coc(C)c3)C2)C1=O ZINC001076929013 757629444 /nfs/dbraw/zinc/62/94/44/757629444.db2.gz MPJSZWDEGAGIAP-RBSFLKMASA-N 1 2 333.388 0.150 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001021589478 757652035 /nfs/dbraw/zinc/65/20/35/757652035.db2.gz VRHNWWSRACVGDX-JKSUJKDBSA-N 1 2 340.427 0.825 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001049024085 757725932 /nfs/dbraw/zinc/72/59/32/757725932.db2.gz QOIXUQDITBZRBE-VDERGJSUSA-N 1 2 344.415 0.203 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001049024085 757725938 /nfs/dbraw/zinc/72/59/38/757725938.db2.gz QOIXUQDITBZRBE-VDERGJSUSA-N 1 2 344.415 0.203 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H](C)[C@H]3CCC(=O)N3)nn2)C1 ZINC001107212140 757743832 /nfs/dbraw/zinc/74/38/32/757743832.db2.gz PJYXMIHTOADPFP-SWLSCSKDSA-N 1 2 346.435 0.242 20 30 ECEDLO C=CCN1CC(n2cc(CNC(=O)C[C@H](C)n3cc[nH+]c3)nn2)C1 ZINC001107215382 757792729 /nfs/dbraw/zinc/79/27/29/757792729.db2.gz FJBVRZODERYZNK-ZDUSSCGKSA-N 1 2 329.408 0.785 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](CC(C)C)NC(C)=O)nn2)C1 ZINC001107231915 757949068 /nfs/dbraw/zinc/94/90/68/757949068.db2.gz RLWHMYHZEOLJKB-MRXNPFEDSA-N 1 2 348.451 0.488 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C[C@@H](C)n3cccn3)nn2)C1 ZINC001107227996 757983729 /nfs/dbraw/zinc/98/37/29/757983729.db2.gz WRKLSCFAKQQXBX-CQSZACIVSA-N 1 2 341.419 0.622 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@](C)(NC(C)=O)C(C)C)nn2)C1 ZINC001107241263 758044377 /nfs/dbraw/zinc/04/43/77/758044377.db2.gz QDINCZASJGXZEH-KRWDZBQOSA-N 1 2 348.451 0.488 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001049125979 758045581 /nfs/dbraw/zinc/04/55/81/758045581.db2.gz MQOKAUCCXYIHGV-PMPSAXMXSA-N 1 2 348.447 0.906 20 30 ECEDLO C[C@H]1[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001011623735 758157309 /nfs/dbraw/zinc/15/73/09/758157309.db2.gz JGYDWVRNIXRBQS-GXFFZTMASA-N 1 2 326.360 0.571 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001011669412 758258294 /nfs/dbraw/zinc/25/82/94/758258294.db2.gz OVKRFTXYNAVFCO-HZMBPMFUSA-N 1 2 326.360 0.571 20 30 ECEDLO C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC001077129196 758269519 /nfs/dbraw/zinc/26/95/19/758269519.db2.gz YKBJXHKBGMTLRT-MCIONIFRSA-N 1 2 330.450 0.081 20 30 ECEDLO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC001077129196 758269528 /nfs/dbraw/zinc/26/95/28/758269528.db2.gz YKBJXHKBGMTLRT-MCIONIFRSA-N 1 2 330.450 0.081 20 30 ECEDLO N#Cc1cnccc1NC/C=C/CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001107393184 758448645 /nfs/dbraw/zinc/44/86/45/758448645.db2.gz ALZKBIQSZOOINH-YUKKFKLSSA-N 1 2 336.399 0.919 20 30 ECEDLO COC1CC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2O)C1 ZINC001077193397 758474590 /nfs/dbraw/zinc/47/45/90/758474590.db2.gz CHUVSGARUWBGRG-TVGUXLQWSA-N 1 2 347.390 0.784 20 30 ECEDLO COC1CC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2O)C1 ZINC001077193397 758474592 /nfs/dbraw/zinc/47/45/92/758474592.db2.gz CHUVSGARUWBGRG-TVGUXLQWSA-N 1 2 347.390 0.784 20 30 ECEDLO C#CCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001049317282 758509037 /nfs/dbraw/zinc/50/90/37/758509037.db2.gz YEWCMEQEKJYSLL-KBPBESRZSA-N 1 2 332.404 0.176 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1nnn(C(C)(C)C)n1 ZINC001032317871 758547873 /nfs/dbraw/zinc/54/78/73/758547873.db2.gz CUKXVALPBAOUBI-AVGNSLFASA-N 1 2 331.424 0.415 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1nnn(C(C)(C)C)n1 ZINC001032317871 758547875 /nfs/dbraw/zinc/54/78/75/758547875.db2.gz CUKXVALPBAOUBI-AVGNSLFASA-N 1 2 331.424 0.415 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)cn1 ZINC001011805884 758629487 /nfs/dbraw/zinc/62/94/87/758629487.db2.gz YEFKAVDABCVSPH-UHFFFAOYSA-N 1 2 337.383 0.622 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnnn3CC)C2)nn1 ZINC001098669038 758680490 /nfs/dbraw/zinc/68/04/90/758680490.db2.gz FTWLZQODHGTHSR-AWEZNQCLSA-N 1 2 342.407 0.090 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001011829865 758688128 /nfs/dbraw/zinc/68/81/28/758688128.db2.gz HSLVFPMZTMIUJI-BXUZGUMPSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001011829865 758688134 /nfs/dbraw/zinc/68/81/34/758688134.db2.gz HSLVFPMZTMIUJI-BXUZGUMPSA-N 1 2 340.387 0.961 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001011849166 758754004 /nfs/dbraw/zinc/75/40/04/758754004.db2.gz JNPNPRWZMXGZID-UHFFFAOYSA-N 1 2 336.395 0.847 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@H]2C)nc1 ZINC001011854986 758771688 /nfs/dbraw/zinc/77/16/88/758771688.db2.gz DTKOTSRHEYWZFD-DZGCQCFKSA-N 1 2 337.383 0.679 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]21 ZINC001022565817 758894665 /nfs/dbraw/zinc/89/46/65/758894665.db2.gz ZDBVDLIDLPVWIO-HZSPNIEDSA-N 1 2 329.404 0.572 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H]2C)nc1 ZINC001011935561 758995991 /nfs/dbraw/zinc/99/59/91/758995991.db2.gz FKRLWLRTBUQFBZ-GXTWGEPZSA-N 1 2 337.383 0.748 20 30 ECEDLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001011618562 759255644 /nfs/dbraw/zinc/25/56/44/759255644.db2.gz PRWQMCSNQYBNLB-LSDHHAIUSA-N 1 2 336.436 0.318 20 30 ECEDLO CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001011618562 759255648 /nfs/dbraw/zinc/25/56/48/759255648.db2.gz PRWQMCSNQYBNLB-LSDHHAIUSA-N 1 2 336.436 0.318 20 30 ECEDLO CN1C[C@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)CCC1=O ZINC001032210135 759689660 /nfs/dbraw/zinc/68/96/60/759689660.db2.gz YBUCTPVSTVIZBX-QGZVFWFLSA-N 1 2 340.427 0.975 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CC(NC(=O)c3cccc4[nH+]ccn43)C2)c1 ZINC000995535244 759742521 /nfs/dbraw/zinc/74/25/21/759742521.db2.gz VDGZFHSBCBCKQM-UHFFFAOYSA-N 1 2 334.339 0.788 20 30 ECEDLO 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760974269 /nfs/dbraw/zinc/97/42/69/760974269.db2.gz HECJGDKSSWCBDH-DGCLKSJQSA-N 1 2 326.360 0.502 20 30 ECEDLO Cc1nnc(NC(=O)C[N@@H+]2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)s1 ZINC001048727988 761055176 /nfs/dbraw/zinc/05/51/76/761055176.db2.gz QOEIYDDZKHUBEJ-JLLWLGSASA-N 1 2 348.432 0.335 20 30 ECEDLO Cc1nnc(NC(=O)C[N@H+]2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)s1 ZINC001048727988 761055186 /nfs/dbraw/zinc/05/51/86/761055186.db2.gz QOEIYDDZKHUBEJ-JLLWLGSASA-N 1 2 348.432 0.335 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1c1cnc(C#N)cn1 ZINC001048731604 761064397 /nfs/dbraw/zinc/06/43/97/761064397.db2.gz CZKPQKIPCUQIAW-UONOGXRCSA-N 1 2 325.376 0.718 20 30 ECEDLO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1O ZINC001048757748 761122717 /nfs/dbraw/zinc/12/27/17/761122717.db2.gz MXDRWNJWWRUJPW-VDERGJSUSA-N 1 2 344.415 0.347 20 30 ECEDLO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1O ZINC001048757748 761122724 /nfs/dbraw/zinc/12/27/24/761122724.db2.gz MXDRWNJWWRUJPW-VDERGJSUSA-N 1 2 344.415 0.347 20 30 ECEDLO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]cc1-c1cnn(C)c1 ZINC001050912427 761128094 /nfs/dbraw/zinc/12/80/94/761128094.db2.gz DHWMGZRCSJKNCD-HNNXBMFYSA-N 1 2 341.415 0.869 20 30 ECEDLO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c[nH]cc1-c1cnn(C)c1 ZINC001050912427 761128100 /nfs/dbraw/zinc/12/81/00/761128100.db2.gz DHWMGZRCSJKNCD-HNNXBMFYSA-N 1 2 341.415 0.869 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn(CCOC)nc1C ZINC001050918965 761141716 /nfs/dbraw/zinc/14/17/16/761141716.db2.gz CIUSSCPYUWLTTD-HNNXBMFYSA-N 1 2 336.436 0.845 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn(CCOC)nc1C ZINC001050918965 761141721 /nfs/dbraw/zinc/14/17/21/761141721.db2.gz CIUSSCPYUWLTTD-HNNXBMFYSA-N 1 2 336.436 0.845 20 30 ECEDLO CC#CCN1CCOC[C@@H]1CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001050925170 761154052 /nfs/dbraw/zinc/15/40/52/761154052.db2.gz PFCNFEAOXGFGKB-YOEHRIQHSA-N 1 2 345.447 0.630 20 30 ECEDLO 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C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1csc(-c2nc[nH]n2)n1 ZINC001051162255 761589455 /nfs/dbraw/zinc/58/94/55/761589455.db2.gz RPBJIVDFPHSLGH-NSHDSACASA-N 1 2 348.432 0.935 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1csc(-c2nc[nH]n2)n1 ZINC001051162255 761589462 /nfs/dbraw/zinc/58/94/62/761589462.db2.gz RPBJIVDFPHSLGH-NSHDSACASA-N 1 2 348.432 0.935 20 30 ECEDLO C=CCN1CCOC[C@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001051192134 761656940 /nfs/dbraw/zinc/65/69/40/761656940.db2.gz OLCXEUWKTBTGIH-OAHLLOKOSA-N 1 2 327.388 0.884 20 30 ECEDLO N#CCN1CCOC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001051193951 761660961 /nfs/dbraw/zinc/66/09/61/761660961.db2.gz RPZNXJJFSNDUDK-INIZCTEOSA-N 1 2 325.372 0.826 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2COCCN2Cc2c[nH+]cn2C)cn1 ZINC001051215383 761705479 /nfs/dbraw/zinc/70/54/79/761705479.db2.gz WDWPZDJHPRQSPV-KRWDZBQOSA-N 1 2 339.399 0.427 20 30 ECEDLO C[C@@H](NC(=O)CSCC#N)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001051286683 761828352 /nfs/dbraw/zinc/82/83/52/761828352.db2.gz COZGGTNCRPYGGS-KGLIPLIRSA-N 1 2 349.460 0.883 20 30 ECEDLO C#CCCCC(=O)NC[C@@H](O)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001105796360 761855139 /nfs/dbraw/zinc/85/51/39/761855139.db2.gz ONUNELSDNZPWSA-CYBMUJFWSA-N 1 2 331.420 0.157 20 30 ECEDLO C#CCCCC(=O)NC[C@@H](O)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001105796360 761855148 /nfs/dbraw/zinc/85/51/48/761855148.db2.gz ONUNELSDNZPWSA-CYBMUJFWSA-N 1 2 331.420 0.157 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([C@@H](C)NC(=O)CSCC#N)C1 ZINC001051311967 761865860 /nfs/dbraw/zinc/86/58/60/761865860.db2.gz NZQSBYVGECMFDV-YPMHNXCESA-N 1 2 349.460 0.871 20 30 ECEDLO Cc1nc(N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)ccc1C#N ZINC001051698979 762725273 /nfs/dbraw/zinc/72/52/73/762725273.db2.gz DUHCMBBAINSPPM-CABCVRRESA-N 1 2 340.387 0.214 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)CNc1ccc(C#N)c(C)n1 ZINC001105920573 762773642 /nfs/dbraw/zinc/77/36/42/762773642.db2.gz IYURUIVSJNRCPL-CYBMUJFWSA-N 1 2 328.376 0.425 20 30 ECEDLO C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2scnc2C)C1 ZINC001111608797 762785183 /nfs/dbraw/zinc/78/51/83/762785183.db2.gz NELOACWMBVKIMZ-GUYCJALGSA-N 1 2 346.456 0.785 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2scnc2C)C1 ZINC001111608797 762785190 /nfs/dbraw/zinc/78/51/90/762785190.db2.gz NELOACWMBVKIMZ-GUYCJALGSA-N 1 2 346.456 0.785 20 30 ECEDLO C#CCOc1ncccc1C(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001105925417 762819320 /nfs/dbraw/zinc/81/93/20/762819320.db2.gz UYTLOQXIROZCDQ-CYBMUJFWSA-N 1 2 341.371 0.395 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](O)C2)C1 ZINC000991726509 762993704 /nfs/dbraw/zinc/99/37/04/762993704.db2.gz XCQYVSONQDBWOC-QWHCGFSZSA-N 1 2 332.404 0.387 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nc(C)no3)C2)c1 ZINC001051817460 763033300 /nfs/dbraw/zinc/03/33/00/763033300.db2.gz SKFMEFIUPNBELJ-HNNXBMFYSA-N 1 2 341.371 0.385 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC000991737133 763057634 /nfs/dbraw/zinc/05/76/34/763057634.db2.gz XBMYLPQYWYLIDA-OLZOCXBDSA-N 1 2 334.420 0.633 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001046815633 763167697 /nfs/dbraw/zinc/16/76/97/763167697.db2.gz YWPHSGOKGRNEDT-ZFWWWQNUSA-N 1 2 329.828 0.567 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001046815633 763167705 /nfs/dbraw/zinc/16/77/05/763167705.db2.gz YWPHSGOKGRNEDT-ZFWWWQNUSA-N 1 2 329.828 0.567 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCNC3=O)C2)c(F)c1 ZINC001014810489 763211423 /nfs/dbraw/zinc/21/14/23/763211423.db2.gz HMNRJAAYIQBQLP-HUUCEWRRSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCNC3=O)C2)c(F)c1 ZINC001014810489 763211430 /nfs/dbraw/zinc/21/14/30/763211430.db2.gz HMNRJAAYIQBQLP-HUUCEWRRSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCNC3=O)C2)c1 ZINC001014812924 763217318 /nfs/dbraw/zinc/21/73/18/763217318.db2.gz WHWQBEOCWHIMQG-LSDHHAIUSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCCNC3=O)C2)c1 ZINC001014812924 763217326 /nfs/dbraw/zinc/21/73/26/763217326.db2.gz WHWQBEOCWHIMQG-LSDHHAIUSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001014813032 763217675 /nfs/dbraw/zinc/21/76/75/763217675.db2.gz XQIDKCMVOANMIR-HOTGVXAUSA-N 1 2 326.400 0.775 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001014813032 763217682 /nfs/dbraw/zinc/21/76/82/763217682.db2.gz XQIDKCMVOANMIR-HOTGVXAUSA-N 1 2 326.400 0.775 20 30 ECEDLO C=CC(C)(C)CC(=O)NC[C@@H](O)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001105980667 763217774 /nfs/dbraw/zinc/21/77/74/763217774.db2.gz ZXIDDXJKBAVLCV-CYBMUJFWSA-N 1 2 347.463 0.956 20 30 ECEDLO C=CC(C)(C)CC(=O)NC[C@@H](O)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001105980667 763217780 /nfs/dbraw/zinc/21/77/80/763217780.db2.gz ZXIDDXJKBAVLCV-CYBMUJFWSA-N 1 2 347.463 0.956 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]2O)C1 ZINC000991764178 763319040 /nfs/dbraw/zinc/31/90/40/763319040.db2.gz QTLAJXBBGOMEGX-LSDHHAIUSA-N 1 2 346.431 0.708 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCNC3=O)C2)c(F)c1 ZINC001031900493 763461766 /nfs/dbraw/zinc/46/17/66/763461766.db2.gz UOFNTXWTXLIHPP-CQSZACIVSA-N 1 2 330.363 0.381 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn(C)c3C)C2)CC1 ZINC001051981046 763507914 /nfs/dbraw/zinc/50/79/14/763507914.db2.gz MRRNDGDOWNUKBD-MRXNPFEDSA-N 1 2 329.448 0.584 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)CCn3cccn3)C2)CC1 ZINC001051988451 763524171 /nfs/dbraw/zinc/52/41/71/763524171.db2.gz WEEDSKAKMFCPAJ-KRWDZBQOSA-N 1 2 329.448 0.515 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3cnn(C)c3)C2)CC1 ZINC001051995200 763541920 /nfs/dbraw/zinc/54/19/20/763541920.db2.gz AVSJHLWQXGQVCJ-QGZVFWFLSA-N 1 2 329.448 0.204 20 30 ECEDLO Cc1cc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)nn1C ZINC001051998122 763550239 /nfs/dbraw/zinc/55/02/39/763550239.db2.gz NKVKZXUUTCLWAH-YOEHRIQHSA-N 1 2 344.463 0.607 20 30 ECEDLO Cc1noc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)n1 ZINC001051997982 763550402 /nfs/dbraw/zinc/55/04/02/763550402.db2.gz LNWBELYQWZSLTO-OCCSQVGLSA-N 1 2 332.408 0.256 20 30 ECEDLO Cc1nccnc1CN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001051998715 763553276 /nfs/dbraw/zinc/55/32/76/763553276.db2.gz YWJOJDBJFAWXSG-ZBFHGGJFSA-N 1 2 342.447 0.663 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3COCCN3C)C2)CC1 ZINC001052012152 763582013 /nfs/dbraw/zinc/58/20/13/763582013.db2.gz DUWPCSLEWLYADF-DLBZAZTESA-N 1 2 336.480 0.112 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)CC3OCCCO3)C2)CC1 ZINC001052018879 763598475 /nfs/dbraw/zinc/59/84/75/763598475.db2.gz SHNROTINWRSHDR-INIZCTEOSA-N 1 2 335.448 0.381 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3cncnc3)C2)CC1 ZINC001052019766 763601905 /nfs/dbraw/zinc/60/19/05/763601905.db2.gz ARJVEEXYPWNDQK-QGZVFWFLSA-N 1 2 327.432 0.261 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc4[nH]cnc4c3)C2)CC1 ZINC001052032314 763633687 /nfs/dbraw/zinc/63/36/87/763633687.db2.gz FLKUEYBVSPJBIQ-OAHLLOKOSA-N 1 2 340.431 0.976 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccnc4[nH]cnc43)C2)CC1 ZINC001052035854 763645022 /nfs/dbraw/zinc/64/50/22/763645022.db2.gz RRRJPZSLBJNINM-AWEZNQCLSA-N 1 2 340.431 0.976 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ncc(OC)cc3F)C2)CC1 ZINC001052036316 763648092 /nfs/dbraw/zinc/64/80/92/763648092.db2.gz LDJRUDFSNZZSNZ-AWEZNQCLSA-N 1 2 346.406 0.695 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ncc(OC)cc3F)C2)CC1 ZINC001052036316 763648095 /nfs/dbraw/zinc/64/80/95/763648095.db2.gz LDJRUDFSNZZSNZ-AWEZNQCLSA-N 1 2 346.406 0.695 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c(C)nnn3CC)C2)CC1 ZINC001052036952 763652706 /nfs/dbraw/zinc/65/27/06/763652706.db2.gz YYHWAPRQMPDSAI-INIZCTEOSA-N 1 2 344.463 0.462 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc4n(n3)CCO4)C2)CC1 ZINC001052037143 763653472 /nfs/dbraw/zinc/65/34/72/763653472.db2.gz DYDSKZAMZZBDQW-HNNXBMFYSA-N 1 2 343.431 0.131 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3cn(C)nc3C)C2)CC1 ZINC001052037140 763653540 /nfs/dbraw/zinc/65/35/40/763653540.db2.gz DUXPNBDIFMRXJA-SFHVURJKSA-N 1 2 343.475 0.513 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc4n[nH]nc4c3)C2)CC1 ZINC001052037598 763655015 /nfs/dbraw/zinc/65/50/15/763655015.db2.gz OCVGOXMVEHLWFZ-CQSZACIVSA-N 1 2 341.419 0.371 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C2)CC1 ZINC001052041339 763666832 /nfs/dbraw/zinc/66/68/32/763666832.db2.gz ZKIUPBNQVBBSBE-KRWDZBQOSA-N 1 2 342.443 0.241 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn(C)c(C)cc3=O)C2)CC1 ZINC001052041497 763667966 /nfs/dbraw/zinc/66/79/66/763667966.db2.gz JMABTVZDTQFCJD-INIZCTEOSA-N 1 2 342.443 0.159 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn(C)c(C)cc3=O)C2)CC1 ZINC001052041628 763668423 /nfs/dbraw/zinc/66/84/23/763668423.db2.gz MZICCCVNJXFVIA-MRXNPFEDSA-N 1 2 344.459 0.712 20 30 ECEDLO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn(C)c(C)cc3=O)C2)CC1 ZINC001052041628 763668430 /nfs/dbraw/zinc/66/84/30/763668430.db2.gz MZICCCVNJXFVIA-MRXNPFEDSA-N 1 2 344.459 0.712 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)c3[nH]c(=O)[nH]c3C)C2)CC1 ZINC001052042066 763669960 /nfs/dbraw/zinc/66/99/60/763669960.db2.gz XGWSUGKMUDBIDK-CQSZACIVSA-N 1 2 331.420 0.279 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCn4cncc4C3)C2)CC1 ZINC001052042904 763672257 /nfs/dbraw/zinc/67/22/57/763672257.db2.gz KACJDOPBLYHFLP-CVEARBPZSA-N 1 2 342.447 0.188 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCc4cncn4C3)C2)CC1 ZINC001052044060 763676331 /nfs/dbraw/zinc/67/63/31/763676331.db2.gz BYJPLBKLEXIXIP-DOTOQJQBSA-N 1 2 342.447 0.188 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001052045705 763684606 /nfs/dbraw/zinc/68/46/06/763684606.db2.gz SXQNFKHSOKWYJX-ZIAGYGMSSA-N 1 2 349.460 0.741 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccc4ncnn43)C2)CC1 ZINC001052047280 763689487 /nfs/dbraw/zinc/68/94/87/763689487.db2.gz LBDIDMDPZJPMFY-HNNXBMFYSA-N 1 2 338.415 0.195 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)CN3CCCCC3=O)C2)CC1 ZINC001052048070 763693648 /nfs/dbraw/zinc/69/36/48/763693648.db2.gz JWWYRONLWDMSCI-KRWDZBQOSA-N 1 2 346.475 0.241 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001052051739 763713419 /nfs/dbraw/zinc/71/34/19/763713419.db2.gz VIJXEWWAKREFHJ-NEPJUHHUSA-N 1 2 335.433 0.420 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001054681165 768157232 /nfs/dbraw/zinc/15/72/32/768157232.db2.gz QLZFLKBISBZINK-GXSJLCMTSA-N 1 2 326.832 0.925 20 30 ECEDLO N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)nc1 ZINC001106015710 763717758 /nfs/dbraw/zinc/71/77/58/763717758.db2.gz LYWUBNCWMQJNNX-HIFRSBDPSA-N 1 2 340.387 0.301 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc4nccn4c3)C2)CC1 ZINC001052052798 763719221 /nfs/dbraw/zinc/71/92/21/763719221.db2.gz XVYNHPWJHNGWPH-OAHLLOKOSA-N 1 2 339.403 0.085 20 30 ECEDLO C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCCN1C(=O)c1cc(C#N)c[nH]1 ZINC001015037335 763721905 /nfs/dbraw/zinc/72/19/05/763721905.db2.gz VROFUPQNJPOZCZ-GXTWGEPZSA-N 1 2 340.387 0.892 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3coc(C(N)=O)c3)C2)CC1 ZINC001052057011 763729441 /nfs/dbraw/zinc/72/94/41/763729441.db2.gz JQOMCDILWPWSMJ-AWEZNQCLSA-N 1 2 332.404 0.397 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H](N2CC[NH+]([C@@H](CC)C(N)=O)CC2)C1 ZINC001052060961 763742836 /nfs/dbraw/zinc/74/28/36/763742836.db2.gz OSYDXVDAFMEQAW-GJZGRUSLSA-N 1 2 336.480 0.681 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN([C@@H](CC)C(N)=O)CC2)C1 ZINC001052060961 763742838 /nfs/dbraw/zinc/74/28/38/763742838.db2.gz OSYDXVDAFMEQAW-GJZGRUSLSA-N 1 2 336.480 0.681 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)C3(c4cccnc4)CC3)C2)CC1 ZINC001052068351 763761519 /nfs/dbraw/zinc/76/15/19/763761519.db2.gz GHEREQTXBCQMRA-QGZVFWFLSA-N 1 2 339.443 0.855 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N(C)C[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001124525777 763830886 /nfs/dbraw/zinc/83/08/86/763830886.db2.gz RPKGOXULFYWRRE-CABCVRRESA-N 1 2 349.435 0.487 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(C4CC4)no3)C2)CC1 ZINC001052093595 763837793 /nfs/dbraw/zinc/83/77/93/763837793.db2.gz OBIPPYIGIVDYOV-CQSZACIVSA-N 1 2 329.404 0.908 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)nn1 ZINC001052096627 763848403 /nfs/dbraw/zinc/84/84/03/763848403.db2.gz NLSUVXQYVDMBRJ-HNNXBMFYSA-N 1 2 343.435 0.210 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(C)nc(C)n3)C2)CC1 ZINC001052097038 763849643 /nfs/dbraw/zinc/84/96/43/763849643.db2.gz TWEJUYWOYBKAJY-QGZVFWFLSA-N 1 2 341.459 0.949 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc4nncn4c3)C2)CC1 ZINC001052098953 763855302 /nfs/dbraw/zinc/85/53/02/763855302.db2.gz ROPXFAIRCSQMOD-INIZCTEOSA-N 1 2 340.431 0.747 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3c(C)nn(CC)c3C)C2)CC1 ZINC001052099298 763857586 /nfs/dbraw/zinc/85/75/86/763857586.db2.gz YIHJBSMKYIQGCQ-KRWDZBQOSA-N 1 2 343.475 0.985 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3coc(OCC)n3)C2)C1=O ZINC001015097030 763873137 /nfs/dbraw/zinc/87/31/37/763873137.db2.gz ORFVSXLPPOFIRQ-OCCSQVGLSA-N 1 2 348.403 0.664 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3coc(OCC)n3)C2)C1=O ZINC001015097030 763873144 /nfs/dbraw/zinc/87/31/44/763873144.db2.gz ORFVSXLPPOFIRQ-OCCSQVGLSA-N 1 2 348.403 0.664 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3c[nH]c(C)cc3=O)C2)CC1 ZINC001052105995 763878574 /nfs/dbraw/zinc/87/85/74/763878574.db2.gz YJFAEPJUCQABST-HNNXBMFYSA-N 1 2 330.432 0.701 20 30 ECEDLO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3c[nH]c(C)cc3=O)C2)CC1 ZINC001052105995 763878580 /nfs/dbraw/zinc/87/85/80/763878580.db2.gz YJFAEPJUCQABST-HNNXBMFYSA-N 1 2 330.432 0.701 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(CCF)CC3)C2)nc1 ZINC001052107653 763886928 /nfs/dbraw/zinc/88/69/28/763886928.db2.gz GWTQDSPCPSMZFK-MRXNPFEDSA-N 1 2 330.407 0.865 20 30 ECEDLO C=CCN1CC[C@H](N2CC(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1=O ZINC001030544213 763893547 /nfs/dbraw/zinc/89/35/47/763893547.db2.gz FHMJHLMFKRFKOO-CJNGLKHVSA-N 1 2 343.431 0.033 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3ccc(C)o3)C2)C1=O ZINC001047292658 763905290 /nfs/dbraw/zinc/90/52/90/763905290.db2.gz LCXJBBBZADIMQJ-ILXRZTDVSA-N 1 2 347.415 0.492 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3ccc(C)o3)C2)C1=O ZINC001047292658 763905294 /nfs/dbraw/zinc/90/52/94/763905294.db2.gz LCXJBBBZADIMQJ-ILXRZTDVSA-N 1 2 347.415 0.492 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@H](C)COC)C2)nn1 ZINC001098761235 763906893 /nfs/dbraw/zinc/90/68/93/763906893.db2.gz CVTXBTSUGWFFBY-GOEBONIOSA-N 1 2 333.436 0.837 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3Cc4cccnc4C3)C2)CC1 ZINC001052112771 763907782 /nfs/dbraw/zinc/90/77/82/763907782.db2.gz DAIHLSKDHZTNEJ-MSOLQXFVSA-N 1 2 338.455 0.648 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCCC(=O)N3C)C2)CC1 ZINC001052113259 763911317 /nfs/dbraw/zinc/91/13/17/763911317.db2.gz QPBDXAHNLHOCBZ-IAGOWNOFSA-N 1 2 346.475 0.239 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1OC ZINC001212187012 763928141 /nfs/dbraw/zinc/92/81/41/763928141.db2.gz HGJCDFHKGPBGMU-HZPDHXFCSA-N 1 2 335.448 0.474 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1OC ZINC001212187012 763928147 /nfs/dbraw/zinc/92/81/47/763928147.db2.gz HGJCDFHKGPBGMU-HZPDHXFCSA-N 1 2 335.448 0.474 20 30 ECEDLO C=CCN1CC[C@@H](N2CC(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)C1=O ZINC001030553194 763931010 /nfs/dbraw/zinc/93/10/10/763931010.db2.gz SKSUOHLUJGJLJR-UKRRQHHQSA-N 1 2 343.431 0.033 20 30 ECEDLO C=CCN1CC[C@H](N2CC(NC(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1=O ZINC001030555021 763933836 /nfs/dbraw/zinc/93/38/36/763933836.db2.gz SAYGGBSAWOZEDB-BBRMVZONSA-N 1 2 343.431 0.033 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCc4c[nH]nc4C3)C2)CC1 ZINC001052118970 763934783 /nfs/dbraw/zinc/93/47/83/763934783.db2.gz FCDJBBJUKMGIMW-RDJZCZTQSA-N 1 2 343.475 0.919 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)CCn3cc(C)cn3)C2)CC1 ZINC001052121464 763942306 /nfs/dbraw/zinc/94/23/06/763942306.db2.gz BUKONGNJOSYDRR-SFHVURJKSA-N 1 2 343.475 0.823 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCC(=O)N(C)C3)C2)CC1 ZINC001052122063 763944933 /nfs/dbraw/zinc/94/49/33/763944933.db2.gz LZAFVJWJKMUILZ-IRXDYDNUSA-N 1 2 348.491 0.649 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)CN(C)c3ccccc3)C2)CC1 ZINC001052122714 763947763 /nfs/dbraw/zinc/94/77/63/763947763.db2.gz YTSVMIDQFJAIHG-LJQANCHMSA-N 1 2 340.471 0.975 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](CC(=O)NC2CCCC2)C1 ZINC001031986761 763991188 /nfs/dbraw/zinc/99/11/88/763991188.db2.gz BXGXUEZJYNMHQJ-CVEARBPZSA-N 1 2 335.448 0.684 20 30 ECEDLO Cc1nc(C(=O)N(C)[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@@H]2O)c[nH]1 ZINC001047325760 764002516 /nfs/dbraw/zinc/00/25/16/764002516.db2.gz KJQFFBFIUJRPON-IRXDYDNUSA-N 1 2 339.399 0.907 20 30 ECEDLO Cc1nc(C(=O)N(C)[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@@H]2O)c[nH]1 ZINC001047325760 764002523 /nfs/dbraw/zinc/00/25/23/764002523.db2.gz KJQFFBFIUJRPON-IRXDYDNUSA-N 1 2 339.399 0.907 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)CC)C[C@H]1OC ZINC001212187508 764021461 /nfs/dbraw/zinc/02/14/61/764021461.db2.gz WOXDROUEOUADIR-HUUCEWRRSA-N 1 2 337.464 0.910 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)CC)C[C@H]1OC ZINC001212187508 764021468 /nfs/dbraw/zinc/02/14/68/764021468.db2.gz WOXDROUEOUADIR-HUUCEWRRSA-N 1 2 337.464 0.910 20 30 ECEDLO CN(C(=O)C[C@H]1CCOC1)[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047330660 764023579 /nfs/dbraw/zinc/02/35/79/764023579.db2.gz UHJYVSGTRVIFFQ-JLSDUUJJSA-N 1 2 343.427 0.988 20 30 ECEDLO CN(C(=O)C[C@H]1CCOC1)[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047330660 764023584 /nfs/dbraw/zinc/02/35/84/764023584.db2.gz UHJYVSGTRVIFFQ-JLSDUUJJSA-N 1 2 343.427 0.988 20 30 ECEDLO N#CCSCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001047340831 764052931 /nfs/dbraw/zinc/05/29/31/764052931.db2.gz MBLBSJYGMPTVED-OBJOEFQTSA-N 1 2 347.444 0.705 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001015174625 764072991 /nfs/dbraw/zinc/07/29/91/764072991.db2.gz NJQMOWPIEHYUHS-YPMHNXCESA-N 1 2 340.387 0.961 20 30 ECEDLO C=CCOCC(=O)N1C[C@H](C)[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001052220593 764080010 /nfs/dbraw/zinc/08/00/10/764080010.db2.gz KWKQCZWBBINQBQ-LSDHHAIUSA-N 1 2 348.447 0.766 20 30 ECEDLO C=CCn1cc(C(=O)NCC2C[NH+](Cc3cnc(C)nc3)C2)nn1 ZINC001032036272 764230619 /nfs/dbraw/zinc/23/06/19/764230619.db2.gz WPKLEYMOTKAIKE-UHFFFAOYSA-N 1 2 327.392 0.424 20 30 ECEDLO C=CCCn1cc(C(=O)NCC2C[NH+](Cc3cnc(C)cn3)C2)nn1 ZINC001032041943 764259793 /nfs/dbraw/zinc/25/97/93/764259793.db2.gz GNSUHCGWXQHSRS-UHFFFAOYSA-N 1 2 341.419 0.814 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001106066244 764273193 /nfs/dbraw/zinc/27/31/93/764273193.db2.gz AIHMDDIYGYESJN-VXGBXAGGSA-N 1 2 332.408 0.855 20 30 ECEDLO C=C[C@H](CC)CC(=O)NC[C@H](O)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001106066434 764274591 /nfs/dbraw/zinc/27/45/91/764274591.db2.gz DISVCIQKJOKOHG-KGLIPLIRSA-N 1 2 347.463 0.956 20 30 ECEDLO C=C[C@H](CC)CC(=O)NC[C@H](O)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106066434 764274598 /nfs/dbraw/zinc/27/45/98/764274598.db2.gz DISVCIQKJOKOHG-KGLIPLIRSA-N 1 2 347.463 0.956 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c(C)c(C(N)=O)c1CC ZINC001017618160 768200964 /nfs/dbraw/zinc/20/09/64/768200964.db2.gz YJIYGSUSDCQSHB-BETUJISGSA-N 1 2 328.416 0.906 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c(C)c(C(N)=O)c1CC ZINC001017618160 768200970 /nfs/dbraw/zinc/20/09/70/768200970.db2.gz YJIYGSUSDCQSHB-BETUJISGSA-N 1 2 328.416 0.906 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc3cnccc3s2)C1 ZINC001047453169 764393541 /nfs/dbraw/zinc/39/35/41/764393541.db2.gz ORQMVUJJKHLWAA-STQMWFEESA-N 1 2 330.413 0.832 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc3cnccc3s2)C1 ZINC001047453169 764393544 /nfs/dbraw/zinc/39/35/44/764393544.db2.gz ORQMVUJJKHLWAA-STQMWFEESA-N 1 2 330.413 0.832 20 30 ECEDLO CN(CCOCCNc1ccc(C#N)cn1)C(=O)Cn1cc[nH+]c1 ZINC001127329336 768210707 /nfs/dbraw/zinc/21/07/07/768210707.db2.gz ZSLZGSYNSGXAJP-UHFFFAOYSA-N 1 2 328.376 0.737 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2noc3c2CC(C)(C)CC3)C1 ZINC001047473411 764444588 /nfs/dbraw/zinc/44/45/88/764444588.db2.gz ROAPYDMXUYNCGN-KBPBESRZSA-N 1 2 331.416 0.940 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2noc3c2CC(C)(C)CC3)C1 ZINC001047473411 764444591 /nfs/dbraw/zinc/44/45/91/764444591.db2.gz ROAPYDMXUYNCGN-KBPBESRZSA-N 1 2 331.416 0.940 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)[C@H]2CN(Cc3c[nH+]cn3C)C[C@@H]2O)c1 ZINC001047520853 764578082 /nfs/dbraw/zinc/57/80/82/764578082.db2.gz FDHFGZZVHPLGMT-IRXDYDNUSA-N 1 2 339.399 0.114 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)[C@H]2C[N@H+](Cc3ocnc3C)C[C@@H]2O)c1 ZINC001047521124 764579406 /nfs/dbraw/zinc/57/94/06/764579406.db2.gz KUIGITUYZOENTF-HOTGVXAUSA-N 1 2 340.383 0.677 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)[C@H]2C[N@@H+](Cc3ocnc3C)C[C@@H]2O)c1 ZINC001047521124 764579411 /nfs/dbraw/zinc/57/94/11/764579411.db2.gz KUIGITUYZOENTF-HOTGVXAUSA-N 1 2 340.383 0.677 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)[C@H]2C[N@H+](Cc3cncs3)C[C@@H]2O)c1 ZINC001047521146 764579496 /nfs/dbraw/zinc/57/94/96/764579496.db2.gz LUXBXIGPDRVARC-HOTGVXAUSA-N 1 2 342.424 0.837 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)[C@H]2C[N@@H+](Cc3cncs3)C[C@@H]2O)c1 ZINC001047521146 764579531 /nfs/dbraw/zinc/57/95/31/764579531.db2.gz LUXBXIGPDRVARC-HOTGVXAUSA-N 1 2 342.424 0.837 20 30 ECEDLO O=C(C#CC1CC1)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001047523800 764585657 /nfs/dbraw/zinc/58/56/57/764585657.db2.gz YAYDCWWKXKTYJM-KKUMJFAQSA-N 1 2 326.400 0.861 20 30 ECEDLO Cc1cc(NCC[C@H](C)NC(=O)Cc2c[nH+]cn2C)c(C#N)cn1 ZINC001106382165 768226539 /nfs/dbraw/zinc/22/65/39/768226539.db2.gz XSSNSMHDQGPYOL-LBPRGKRZSA-N 1 2 326.404 0.967 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2cncs2)C[C@@H]1O ZINC001047533432 764618687 /nfs/dbraw/zinc/61/86/87/764618687.db2.gz NWRSVYSWZWCPGW-QPSCCSFWSA-N 1 2 337.445 0.738 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2cncs2)C[C@@H]1O ZINC001047533432 764618688 /nfs/dbraw/zinc/61/86/88/764618688.db2.gz NWRSVYSWZWCPGW-QPSCCSFWSA-N 1 2 337.445 0.738 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NC[C@H](O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106079807 764686901 /nfs/dbraw/zinc/68/69/01/764686901.db2.gz CCFVKEFEVLFVJI-BLLLJJGKSA-N 1 2 336.440 0.737 20 30 ECEDLO C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001052554018 764747365 /nfs/dbraw/zinc/74/73/65/764747365.db2.gz MXWMVMIZCLUYKL-GOEBONIOSA-N 1 2 328.416 0.897 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2OC)C[C@H]1OC ZINC001212194893 764906741 /nfs/dbraw/zinc/90/67/41/764906741.db2.gz ZNXLXKVHNHVISI-IIDMSEBBSA-N 1 2 349.431 0.733 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2cccnc2OC)C[C@H]1OC ZINC001212194893 764906747 /nfs/dbraw/zinc/90/67/47/764906747.db2.gz ZNXLXKVHNHVISI-IIDMSEBBSA-N 1 2 349.431 0.733 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3[nH]cnc3C)C2)nn1 ZINC001098773729 764910906 /nfs/dbraw/zinc/91/09/06/764910906.db2.gz HJDSTNWFXMTGEZ-CQSZACIVSA-N 1 2 327.392 0.049 20 30 ECEDLO C=CCCOCC(=O)N1C[C@H](C)[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001052841645 765213094 /nfs/dbraw/zinc/21/30/94/765213094.db2.gz PDTSAGFPDHDVHP-KBPBESRZSA-N 1 2 334.420 0.756 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3nnnn3C)CC2)cn1 ZINC001052877236 765281863 /nfs/dbraw/zinc/28/18/63/765281863.db2.gz GRIRVPQHMIJMGE-HNNXBMFYSA-N 1 2 339.403 0.371 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3nnnn3C)CC2)cn1 ZINC001052877236 765281870 /nfs/dbraw/zinc/28/18/70/765281870.db2.gz GRIRVPQHMIJMGE-HNNXBMFYSA-N 1 2 339.403 0.371 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnc(C)nc3)C2)nn1 ZINC001015821684 765385029 /nfs/dbraw/zinc/38/50/29/765385029.db2.gz ZHRAIVDKVUKZDX-OAHLLOKOSA-N 1 2 341.419 0.957 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cnc(C)nc3)C2)nn1 ZINC001015821684 765385036 /nfs/dbraw/zinc/38/50/36/765385036.db2.gz ZHRAIVDKVUKZDX-OAHLLOKOSA-N 1 2 341.419 0.957 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccnc(C)n3)C2)nn1 ZINC001098785676 768290324 /nfs/dbraw/zinc/29/03/24/768290324.db2.gz XDHQAJVDSYZIBR-OAHLLOKOSA-N 1 2 339.403 0.577 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001015845564 765432321 /nfs/dbraw/zinc/43/23/21/765432321.db2.gz PBZLCVMYUIENKE-AWEZNQCLSA-N 1 2 340.387 0.700 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001015845564 765432328 /nfs/dbraw/zinc/43/23/28/765432328.db2.gz PBZLCVMYUIENKE-AWEZNQCLSA-N 1 2 340.387 0.700 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1CNC(=O)C#CC1CC1 ZINC001053031156 765503188 /nfs/dbraw/zinc/50/31/88/765503188.db2.gz DOYBYAGTXDYJLV-HIFRSBDPSA-N 1 2 328.416 0.587 20 30 ECEDLO C=CCOCC(=O)NC[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001053067662 765542089 /nfs/dbraw/zinc/54/20/89/765542089.db2.gz VZHVVALMSDVZRF-CABCVRRESA-N 1 2 334.420 0.687 20 30 ECEDLO C=CCCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001077498693 765718979 /nfs/dbraw/zinc/71/89/79/765718979.db2.gz VDNCSKYFSOXVPE-UONOGXRCSA-N 1 2 336.436 0.955 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)C2)nc1 ZINC001016026287 765730044 /nfs/dbraw/zinc/73/00/44/765730044.db2.gz FBCLHMGBLFZOQN-GJZGRUSLSA-N 1 2 347.440 0.302 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C2)nc1 ZINC001016026287 765730046 /nfs/dbraw/zinc/73/00/46/765730046.db2.gz FBCLHMGBLFZOQN-GJZGRUSLSA-N 1 2 347.440 0.302 20 30 ECEDLO N#Cc1ccc(NC[C@H](O)CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)cn1 ZINC001106104939 765756784 /nfs/dbraw/zinc/75/67/84/765756784.db2.gz RFHLZDQZPNCZJM-KBPBESRZSA-N 1 2 340.387 0.685 20 30 ECEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)cn1 ZINC001106104941 765757358 /nfs/dbraw/zinc/75/73/58/765757358.db2.gz RFHLZDQZPNCZJM-KGLIPLIRSA-N 1 2 340.387 0.685 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cnn(CCOC)c1C)CCO2 ZINC001053257564 765856108 /nfs/dbraw/zinc/85/61/08/765856108.db2.gz RFEZEVATHKULAY-UHFFFAOYSA-N 1 2 348.447 0.941 20 30 ECEDLO CC#CCN1CC2(C1)CN(C(=O)[C@@H]1CCn3cc[nH+]c3C1)CCO2 ZINC001053315386 765955126 /nfs/dbraw/zinc/95/51/26/765955126.db2.gz CUUALZBMAKJHSQ-OAHLLOKOSA-N 1 2 328.416 0.382 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C1CCC(C(N)=O)CC1)CCO2 ZINC001053320652 765966168 /nfs/dbraw/zinc/96/61/68/765966168.db2.gz JZKUDRQYPCMMJN-UHFFFAOYSA-N 1 2 335.448 0.767 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@]2(NC(=O)C3CCS(=O)(=O)CC3)CCC[C@@H]12 ZINC000992260251 766083326 /nfs/dbraw/zinc/08/33/26/766083326.db2.gz MKFFLQZVOYBLIY-WBVHZDCISA-N 1 2 338.473 0.948 20 30 ECEDLO CC#CC[N@H+]1CC[C@@]2(NC(=O)C3CCS(=O)(=O)CC3)CCC[C@@H]12 ZINC000992260251 766083333 /nfs/dbraw/zinc/08/33/33/766083333.db2.gz MKFFLQZVOYBLIY-WBVHZDCISA-N 1 2 338.473 0.948 20 30 ECEDLO C[C@H](CCNc1ccnc(C#N)n1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001106483218 768357472 /nfs/dbraw/zinc/35/74/72/768357472.db2.gz XYVHEOXRBVPMIN-CHWSQXEVSA-N 1 2 339.403 0.536 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C(=O)N1CCC[C@H]1CC)CCO2 ZINC001053500337 766241100 /nfs/dbraw/zinc/24/11/00/766241100.db2.gz OSNGKNKMVRLHAW-OAHLLOKOSA-N 1 2 335.448 0.877 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCc3n[nH]nc3C1)CCO2 ZINC001053507650 766257809 /nfs/dbraw/zinc/25/78/09/766257809.db2.gz RGYMLPLAJZRXQV-ZDUSSCGKSA-N 1 2 331.420 0.399 20 30 ECEDLO C=CCCC1(C(=O)NCC2(O)CN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001045772607 766349512 /nfs/dbraw/zinc/34/95/12/766349512.db2.gz JOVMYEFZXXSDRZ-UHFFFAOYSA-N 1 2 346.431 0.778 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[C@@H](C)CC(=O)N1)O2 ZINC001053599291 766405422 /nfs/dbraw/zinc/40/54/22/766405422.db2.gz QCUFZZHMVJWEPM-RBSFLKMASA-N 1 2 335.448 0.827 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC(=O)N(C(C)C)C1)O2 ZINC001053604394 766414666 /nfs/dbraw/zinc/41/46/66/766414666.db2.gz DZIWVCSLTALHDQ-GJZGRUSLSA-N 1 2 335.448 0.779 20 30 ECEDLO C#CC[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3CCCS(=O)(=O)C3)CCC[C@@H]12 ZINC000992408244 766500960 /nfs/dbraw/zinc/50/09/60/766500960.db2.gz STRVRBNCIPEHGK-ZMSDIMECSA-N 1 2 338.473 0.948 20 30 ECEDLO C#CC[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CCCS(=O)(=O)C3)CCC[C@@H]12 ZINC000992408244 766500961 /nfs/dbraw/zinc/50/09/61/766500961.db2.gz STRVRBNCIPEHGK-ZMSDIMECSA-N 1 2 338.473 0.948 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCS(=O)(=O)C1)O2 ZINC001053670036 766548684 /nfs/dbraw/zinc/54/86/84/766548684.db2.gz KBMNHGMZBXKAHX-UONOGXRCSA-N 1 2 342.461 0.347 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001053675576 766558294 /nfs/dbraw/zinc/55/82/94/766558294.db2.gz PKDQJIIBGQSBFS-PMPSAXMXSA-N 1 2 338.448 0.700 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC3(C[NH+](CCOC)C3)O2)cn1 ZINC001053691143 766598873 /nfs/dbraw/zinc/59/88/73/766598873.db2.gz SDSAZZLFIUFXKO-MRXNPFEDSA-N 1 2 329.400 0.673 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CN(CC)CCO1)O2 ZINC001053699356 766616970 /nfs/dbraw/zinc/61/69/70/766616970.db2.gz DFXLEENMCDQQAP-JKSUJKDBSA-N 1 2 337.464 0.633 20 30 ECEDLO CCn1ncc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)n1 ZINC001046011694 766636706 /nfs/dbraw/zinc/63/67/06/766636706.db2.gz GBSWXMRKWAGTFX-ZBFHGGJFSA-N 1 2 345.451 0.176 20 30 ECEDLO CCn1ncc(C[N@H+]2CC[C@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)n1 ZINC001046011694 766636709 /nfs/dbraw/zinc/63/67/09/766636709.db2.gz GBSWXMRKWAGTFX-ZBFHGGJFSA-N 1 2 345.451 0.176 20 30 ECEDLO CN1C[C@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)CC1=O ZINC001031711475 766681961 /nfs/dbraw/zinc/68/19/61/766681961.db2.gz GMOQFOXVAJLERL-MRXNPFEDSA-N 1 2 326.400 0.585 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046030977 766699865 /nfs/dbraw/zinc/69/98/65/766699865.db2.gz GRVXYRGYSWOLPQ-BBWFWOEESA-N 1 2 332.448 0.710 20 30 ECEDLO CN1C[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)CC1=O ZINC001031712470 766705767 /nfs/dbraw/zinc/70/57/67/766705767.db2.gz ZVIFJLDRDKFGJA-OAHLLOKOSA-N 1 2 344.390 0.724 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)Cc3cc(C4CC4)no3)CC2)C1 ZINC001046035609 766722868 /nfs/dbraw/zinc/72/28/68/766722868.db2.gz QMONYHYIJUSVEL-OAHLLOKOSA-N 1 2 343.431 0.837 20 30 ECEDLO Cc1ccncc1CC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046036307 766726163 /nfs/dbraw/zinc/72/61/63/766726163.db2.gz GBJYMYIMQLWKQI-QGZVFWFLSA-N 1 2 327.432 0.675 20 30 ECEDLO C[NH+](C)Cc1cc(C(=O)N2CCN([C@@H]3CCN(CC#N)C3)CC2)no1 ZINC001046041983 766754114 /nfs/dbraw/zinc/75/41/14/766754114.db2.gz VXDZSYJUXFXWOW-CQSZACIVSA-N 1 2 346.435 0.092 20 30 ECEDLO Cc1nc(C)c(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)nc1C ZINC001046045542 766771745 /nfs/dbraw/zinc/77/17/45/766771745.db2.gz ZINHRSKOGFPUGZ-MRXNPFEDSA-N 1 2 342.447 0.758 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3CCc4cccnc43)CC2)C1 ZINC001046054410 766800616 /nfs/dbraw/zinc/80/06/16/766800616.db2.gz MWKCFDWAERLYRQ-DLBZAZTESA-N 1 2 339.443 0.853 20 30 ECEDLO C#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)C1 ZINC001046066213 766853000 /nfs/dbraw/zinc/85/30/00/766853000.db2.gz ALACXDOHFVQVNL-HNNXBMFYSA-N 1 2 327.432 0.752 20 30 ECEDLO C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)C1 ZINC001046066213 766853008 /nfs/dbraw/zinc/85/30/08/766853008.db2.gz ALACXDOHFVQVNL-HNNXBMFYSA-N 1 2 327.432 0.752 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)CN1C(=O)CC(C)(C)C1=O)CO2 ZINC001053801121 766884302 /nfs/dbraw/zinc/88/43/02/766884302.db2.gz FKIMIEJSPRHHCQ-ZDUSSCGKSA-N 1 2 349.431 0.307 20 30 ECEDLO Cc1c[nH+]c2cc(C(=O)N[C@@H]3COC4(CN(CC#N)C4)C3)ccn12 ZINC001053801015 766884641 /nfs/dbraw/zinc/88/46/41/766884641.db2.gz BZNKJIDUIVAZKG-AWEZNQCLSA-N 1 2 325.372 0.739 20 30 ECEDLO C[C@@H](C#N)C(=O)N(C)CCOCCNc1[nH+]cnc2c1cnn2C ZINC001127259259 766885443 /nfs/dbraw/zinc/88/54/43/766885443.db2.gz QPBLHBDIUALHET-NSHDSACASA-N 1 2 331.380 0.410 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCc3n[nH]cc31)CO2 ZINC001053802873 766888487 /nfs/dbraw/zinc/88/84/87/766888487.db2.gz GAMXDGNRWFKTCS-KBPBESRZSA-N 1 2 328.416 0.812 20 30 ECEDLO N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)cc1F ZINC001078270333 782595512 /nfs/dbraw/zinc/59/55/12/782595512.db2.gz QLQXKTBAUVRNOP-HZPDHXFCSA-N 1 2 343.362 0.255 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc(C)nc1OC)CO2 ZINC001053824073 766945641 /nfs/dbraw/zinc/94/56/41/766945641.db2.gz VNCJSMGBKVEJGO-ZDUSSCGKSA-N 1 2 332.404 0.943 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ncc(OC)cc1F)CO2 ZINC001053825585 766949196 /nfs/dbraw/zinc/94/91/96/766949196.db2.gz UWSGLKNQBDDZDI-GFCCVEGCSA-N 1 2 333.363 0.826 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3ncncc3C1)CO2 ZINC001053826656 766952273 /nfs/dbraw/zinc/95/22/73/766952273.db2.gz GZWMOXLJJMHRKD-GDBMZVCRSA-N 1 2 340.427 0.564 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnn3ncccc13)CO2 ZINC001053831197 766965744 /nfs/dbraw/zinc/96/57/44/766965744.db2.gz WBNJSKOOAAVXIT-CYBMUJFWSA-N 1 2 327.388 0.879 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc3c(cn1)OCCO3)CO2 ZINC001053831630 766967064 /nfs/dbraw/zinc/96/70/64/766967064.db2.gz LIGLDFLBSFWMCX-ZDUSSCGKSA-N 1 2 343.383 0.449 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1nc3ncc(C)cn3n1)CO2 ZINC001053838527 766983293 /nfs/dbraw/zinc/98/32/93/766983293.db2.gz DWEZTQNVYOVAHN-ZDUSSCGKSA-N 1 2 342.403 0.582 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3c(c1)nnn3C)CO2 ZINC001053847188 767007547 /nfs/dbraw/zinc/00/75/47/767007547.db2.gz ALBMZNQIKGIBHW-CQSZACIVSA-N 1 2 339.399 0.565 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1c(C)[nH]cc1NC(C)=O)CO2 ZINC001053853019 767024981 /nfs/dbraw/zinc/02/49/81/767024981.db2.gz VNZODBUXMAUSMK-AWEZNQCLSA-N 1 2 344.415 0.878 20 30 ECEDLO Cc1cnn(C)c1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083708995 767033467 /nfs/dbraw/zinc/03/34/67/767033467.db2.gz UIHYPZVVFXLCAC-SJORKVTESA-N 1 2 338.411 0.555 20 30 ECEDLO Cc1cnn(C)c1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083708995 767033473 /nfs/dbraw/zinc/03/34/73/767033473.db2.gz UIHYPZVVFXLCAC-SJORKVTESA-N 1 2 338.411 0.555 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC(N)=O)nn1 ZINC001089707415 767105265 /nfs/dbraw/zinc/10/52/65/767105265.db2.gz JGOWOFFBVVUYSK-LBPRGKRZSA-N 1 2 334.424 0.170 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC(N)=O)nn1 ZINC001089707415 767105266 /nfs/dbraw/zinc/10/52/66/767105266.db2.gz JGOWOFFBVVUYSK-LBPRGKRZSA-N 1 2 334.424 0.170 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)Cc2ccn[nH]2)C1 ZINC000938755868 767106733 /nfs/dbraw/zinc/10/67/33/767106733.db2.gz AVWDASGUOJXMDI-HOTGVXAUSA-N 1 2 343.431 0.109 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)Cc2ccn[nH]2)C1 ZINC000938755868 767106734 /nfs/dbraw/zinc/10/67/34/767106734.db2.gz AVWDASGUOJXMDI-HOTGVXAUSA-N 1 2 343.431 0.109 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)C2CN(C(C)=O)C2)C1 ZINC001046273358 767120834 /nfs/dbraw/zinc/12/08/34/767120834.db2.gz WSIIJLFPNNLLJR-CQSZACIVSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)C2CN(C(C)=O)C2)C1 ZINC001046273358 767120835 /nfs/dbraw/zinc/12/08/35/767120835.db2.gz WSIIJLFPNNLLJR-CQSZACIVSA-N 1 2 344.253 0.954 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1COCCN1CCCC)CO2 ZINC001053881800 767154242 /nfs/dbraw/zinc/15/42/42/767154242.db2.gz PFBREBNHTHVGBB-IAGOWNOFSA-N 1 2 349.475 0.470 20 30 ECEDLO CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001046375483 767179303 /nfs/dbraw/zinc/17/93/03/767179303.db2.gz COWHKJBEJIFKRA-ZDUSSCGKSA-N 1 2 344.415 0.179 20 30 ECEDLO C=CCOCC[N@@H+]1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@H](OC)C1 ZINC001212307266 767195497 /nfs/dbraw/zinc/19/54/97/767195497.db2.gz YKWPWNGZOBXRNH-MXWKQRLJSA-N 1 2 328.306 0.905 20 30 ECEDLO C=CCOCC[N@H+]1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@H](OC)C1 ZINC001212307266 767195499 /nfs/dbraw/zinc/19/54/99/767195499.db2.gz YKWPWNGZOBXRNH-MXWKQRLJSA-N 1 2 328.306 0.905 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C(CC=C)CC=C)[C@H](OC)C1 ZINC001212320806 767212172 /nfs/dbraw/zinc/21/21/72/767212172.db2.gz BNPCIMGHEPFCEL-USXIJHARSA-N 1 2 347.459 0.708 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(CC=C)CC=C)[C@H](OC)C1 ZINC001212320806 767212174 /nfs/dbraw/zinc/21/21/74/767212174.db2.gz BNPCIMGHEPFCEL-USXIJHARSA-N 1 2 347.459 0.708 20 30 ECEDLO C=CCOc1cccnc1C(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC000994917701 767243369 /nfs/dbraw/zinc/24/33/69/767243369.db2.gz KICNNSJVAQKEPV-UHFFFAOYSA-N 1 2 341.371 0.484 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3[nH]cnc3c2)[C@H](OC)C1 ZINC001212340880 767267435 /nfs/dbraw/zinc/26/74/35/767267435.db2.gz SIIVERWSKJHNPF-HUUCEWRRSA-N 1 2 343.387 0.037 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2cnc3[nH]cnc3c2)[C@H](OC)C1 ZINC001212340880 767267437 /nfs/dbraw/zinc/26/74/37/767267437.db2.gz SIIVERWSKJHNPF-HUUCEWRRSA-N 1 2 343.387 0.037 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC(C)(C)C=C)[C@H](OC)C1 ZINC001212340884 767267697 /nfs/dbraw/zinc/26/76/97/767267697.db2.gz SLZLWQYHMYPIRC-RBSFLKMASA-N 1 2 335.448 0.542 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC(C)(C)C=C)[C@H](OC)C1 ZINC001212340884 767267699 /nfs/dbraw/zinc/26/76/99/767267699.db2.gz SLZLWQYHMYPIRC-RBSFLKMASA-N 1 2 335.448 0.542 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1ccc(OC)cn1)CO2 ZINC001053905455 767316831 /nfs/dbraw/zinc/31/68/31/767316831.db2.gz HLDIYYHSMIMCDQ-HNNXBMFYSA-N 1 2 329.400 0.616 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3[nH]c(=O)[nH]c3n1)CO2 ZINC001053906481 767320275 /nfs/dbraw/zinc/32/02/75/767320275.db2.gz AOBHEWFXZSSPBA-NSHDSACASA-N 1 2 343.387 0.813 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3nnn(C)c3C1)CO2 ZINC001053908723 767331383 /nfs/dbraw/zinc/33/13/83/767331383.db2.gz ZPESYMWPRASYAS-KBPBESRZSA-N 1 2 345.447 0.456 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CC(N(C)C(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC001016933022 767342147 /nfs/dbraw/zinc/34/21/47/767342147.db2.gz KSYPSQUKOSOJIN-UHFFFAOYSA-N 1 2 337.383 0.748 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3ncn(C)c3n1)CO2 ZINC001053923864 767370120 /nfs/dbraw/zinc/37/01/20/767370120.db2.gz 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C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1nnn(C(C)C)c1C)CO2 ZINC001053969561 767491153 /nfs/dbraw/zinc/49/11/53/767491153.db2.gz QYRDTRDNQBHLEQ-AWEZNQCLSA-N 1 2 331.420 0.764 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnn(C)c1C(F)F)CO2 ZINC001053978836 767515510 /nfs/dbraw/zinc/51/55/10/767515510.db2.gz ZGBVKUBRENAFJL-NSHDSACASA-N 1 2 338.358 0.954 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1c3c(nn1C)CCC3)CO2 ZINC001053979741 767518709 /nfs/dbraw/zinc/51/87/09/767518709.db2.gz WTIRBDSZUPNRKA-ZDUSSCGKSA-N 1 2 328.416 0.505 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCCN1C(N)=O)CO2 ZINC001053980172 767519793 /nfs/dbraw/zinc/51/97/93/767519793.db2.gz IQQMHDJJLDJAFC-ZIAGYGMSSA-N 1 2 336.436 0.455 20 30 ECEDLO C[C@H](C[C@@H](C)Nc1ccnc(C#N)n1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001089306695 767543125 /nfs/dbraw/zinc/54/31/25/767543125.db2.gz QXSPWOMSZOGQLR-VXGBXAGGSA-N 1 2 327.392 0.821 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@H](C[N@H+](C)Cc2nnc3n2CCOC3)C1 ZINC001017076479 767555334 /nfs/dbraw/zinc/55/53/34/767555334.db2.gz HAWTYBXRSVYZEA-ZIAGYGMSSA-N 1 2 346.435 0.638 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@H](C[N@@H+](C)Cc2nnc3n2CCOC3)C1 ZINC001017076479 767555339 /nfs/dbraw/zinc/55/53/39/767555339.db2.gz HAWTYBXRSVYZEA-ZIAGYGMSSA-N 1 2 346.435 0.638 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001078308113 782650903 /nfs/dbraw/zinc/65/09/03/782650903.db2.gz VTTOAENUKZHGQG-UONOGXRCSA-N 1 2 346.431 0.881 20 30 ECEDLO C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1CNCC#N ZINC001106574638 768450677 /nfs/dbraw/zinc/45/06/77/768450677.db2.gz NFQFNOJCTZAKQB-INMHGKMJSA-N 1 2 334.464 0.837 20 30 ECEDLO C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@H]1CNCC#N ZINC001106574638 768450680 /nfs/dbraw/zinc/45/06/80/768450680.db2.gz NFQFNOJCTZAKQB-INMHGKMJSA-N 1 2 334.464 0.837 20 30 ECEDLO C[C@H](CCNc1ccnc(C#N)n1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001106591898 768473669 /nfs/dbraw/zinc/47/36/69/768473669.db2.gz AHMCCYOQULQSCQ-CHWSQXEVSA-N 1 2 327.392 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ZINC001055313867 768770451 /nfs/dbraw/zinc/77/04/51/768770451.db2.gz FWYUHQZVWIJWKW-GASCZTMLSA-N 1 2 346.431 0.852 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000993344787 768819121 /nfs/dbraw/zinc/81/91/21/768819121.db2.gz PTNYYKZOTUONHI-XNJGSVPQSA-N 1 2 329.404 0.429 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@H]2C1 ZINC001055386626 768844930 /nfs/dbraw/zinc/84/49/30/768844930.db2.gz WMVLSFZPWRKTCJ-SOUVJXGZSA-N 1 2 329.404 0.740 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001018239768 768947501 /nfs/dbraw/zinc/94/75/01/768947501.db2.gz WBDVUYDLWHAOAD-BETUJISGSA-N 1 2 332.404 0.015 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)NC(C)(C)C1=O ZINC001018239768 768947505 /nfs/dbraw/zinc/94/75/05/768947505.db2.gz WBDVUYDLWHAOAD-BETUJISGSA-N 1 2 332.404 0.015 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](C)CCCC)[C@H](OC)C1 ZINC001212208745 768969160 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770563243 /nfs/dbraw/zinc/56/32/43/770563243.db2.gz HZNNCBQXZXQHSG-UHFFFAOYSA-N 1 2 326.400 0.817 20 30 ECEDLO O=C(C#CC1CC1)N1CC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001019011356 770563247 /nfs/dbraw/zinc/56/32/47/770563247.db2.gz HZNNCBQXZXQHSG-UHFFFAOYSA-N 1 2 326.400 0.817 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@]1(CO)CCCN(C(=O)C#CC(C)C)C1 ZINC001056032746 770621390 /nfs/dbraw/zinc/62/13/90/770621390.db2.gz QSZSFYZPNMIMEA-SFHVURJKSA-N 1 2 346.431 0.390 20 30 ECEDLO C[C@H](CC(=O)N1CCN(c2ccnc(C#N)n2)CC1)n1cc[nH+]c1 ZINC001056039444 770647022 /nfs/dbraw/zinc/64/70/22/770647022.db2.gz UXNFQWVRMPLAKX-CYBMUJFWSA-N 1 2 325.376 0.845 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@@H]2O)CC1 ZINC001083751309 770680099 /nfs/dbraw/zinc/68/00/99/770680099.db2.gz QCXFMKTUVCASTR-MAZHCROVSA-N 1 2 335.448 0.561 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC3CC3)C[C@@H]2O)CC1 ZINC001083751309 770680107 /nfs/dbraw/zinc/68/01/07/770680107.db2.gz 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C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCc4[nH+]ccn4C3)C2)nc1 ZINC000994600466 771266044 /nfs/dbraw/zinc/26/60/44/771266044.db2.gz IPNQPFAFFQKUQZ-AWEZNQCLSA-N 1 2 349.394 0.463 20 30 ECEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)[C@H]1COCCO1 ZINC001031554780 771271409 /nfs/dbraw/zinc/27/14/09/771271409.db2.gz JDAYRZBKUOIAIS-QGZVFWFLSA-N 1 2 332.375 0.641 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001056456212 771287014 /nfs/dbraw/zinc/28/70/14/771287014.db2.gz NNNKHINZDYGJRM-PMPSAXMXSA-N 1 2 344.415 0.513 20 30 ECEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)c3nccnc3N)C2)ccc1F ZINC001031588846 771353465 /nfs/dbraw/zinc/35/34/65/771353465.db2.gz YLUFFDULBLWBFU-UHFFFAOYSA-N 1 2 340.362 0.931 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056574726 771396295 /nfs/dbraw/zinc/39/62/95/771396295.db2.gz KVZAMLPYTOYQPB-VNQPRFMTSA-N 1 2 344.415 0.582 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CCNC(=O)C3)C2)cc1F ZINC001031613382 771445960 /nfs/dbraw/zinc/44/59/60/771445960.db2.gz MLTLVEBYHBINND-AWEZNQCLSA-N 1 2 344.390 0.772 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001056628540 771446973 /nfs/dbraw/zinc/44/69/73/771446973.db2.gz SRQZNMOAOQODGB-JKSUJKDBSA-N 1 2 346.431 0.925 20 30 ECEDLO CC1CCN(C(=O)C[NH+]2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)CC1 ZINC001031618695 771469233 /nfs/dbraw/zinc/46/92/33/771469233.db2.gz CFKWUYKYBVJBRY-UHFFFAOYSA-N 1 2 343.431 0.806 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001056656377 771476117 /nfs/dbraw/zinc/47/61/17/771476117.db2.gz DERNXVZTBKAPSC-JOQOYGCGSA-N 1 2 346.431 0.729 20 30 ECEDLO COc1ccc(C[NH+]2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001031622561 771485355 /nfs/dbraw/zinc/48/53/55/771485355.db2.gz XKNFQBUIMGUJBJ-UHFFFAOYSA-N 1 2 326.360 0.547 20 30 ECEDLO N#Cc1cnccc1N[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001056724907 771559747 /nfs/dbraw/zinc/55/97/47/771559747.db2.gz RLHLJQOQEMNGSD-DZGCQCFKSA-N 1 2 336.399 0.847 20 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/nfs/dbraw/zinc/95/26/94/771952694.db2.gz AJKCZJJKIWTVHP-GJZGRUSLSA-N 1 2 342.399 0.194 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001019882798 771956029 /nfs/dbraw/zinc/95/60/29/771956029.db2.gz OAKRJWDIDASNIK-HOTGVXAUSA-N 1 2 342.399 0.125 20 30 ECEDLO CC(C)(C)n1nnc(C[NH2+][C@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001020091068 772148459 /nfs/dbraw/zinc/14/84/59/772148459.db2.gz DBAMOVRUGSFKPI-HAQNSBGRSA-N 1 2 342.407 0.678 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CCCN(c2nccnc2C#N)CC1 ZINC001057165121 772202229 /nfs/dbraw/zinc/20/22/29/772202229.db2.gz BJKZUIGFCQVMRF-UHFFFAOYSA-N 1 2 339.403 0.753 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCN(c2cncc(C#N)n2)CC1 ZINC001057245723 772336416 /nfs/dbraw/zinc/33/64/16/772336416.db2.gz PUCIUNAQLSQOED-ZDUSSCGKSA-N 1 2 339.403 0.989 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCN(c2cncc(C#N)n2)CC1 ZINC001057245723 772336423 /nfs/dbraw/zinc/33/64/23/772336423.db2.gz PUCIUNAQLSQOED-ZDUSSCGKSA-N 1 2 339.403 0.989 20 30 ECEDLO C#CCCCCC(=O)N(CCO)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001057390970 772559714 /nfs/dbraw/zinc/55/97/14/772559714.db2.gz XHSJBONDHUEBCA-OAHLLOKOSA-N 1 2 348.447 0.719 20 30 ECEDLO C#CCCCCC(=O)N(CCO)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001057390970 772559717 /nfs/dbraw/zinc/55/97/17/772559717.db2.gz XHSJBONDHUEBCA-OAHLLOKOSA-N 1 2 348.447 0.719 20 30 ECEDLO N#Cc1nccc(NC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)n1 ZINC001057449115 772628370 /nfs/dbraw/zinc/62/83/70/772628370.db2.gz YJJFFLRVKKFPBB-CHWSQXEVSA-N 1 2 337.387 0.700 20 30 ECEDLO N#Cc1nccc(NC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)n1 ZINC001057449115 772628374 /nfs/dbraw/zinc/62/83/74/772628374.db2.gz YJJFFLRVKKFPBB-CHWSQXEVSA-N 1 2 337.387 0.700 20 30 ECEDLO CC(C)C#CC(=O)N(CCO)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001057525535 772718621 /nfs/dbraw/zinc/71/86/21/772718621.db2.gz XOYISOOBOYVEHQ-UHFFFAOYSA-N 1 2 342.399 0.773 20 30 ECEDLO C[C@H](CC(=O)NCCN(CCO)C(=O)C#CC1CC1)n1cc[nH+]c1 ZINC001057536278 772731820 /nfs/dbraw/zinc/73/18/20/772731820.db2.gz QTRYXRPBFFQSRE-CQSZACIVSA-N 1 2 332.404 0.185 20 30 ECEDLO C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001057601301 772798345 /nfs/dbraw/zinc/79/83/45/772798345.db2.gz KAURSVZODJYAAD-UHFFFAOYSA-N 1 2 336.436 0.882 20 30 ECEDLO C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001057601301 772798349 /nfs/dbraw/zinc/79/83/49/772798349.db2.gz KAURSVZODJYAAD-UHFFFAOYSA-N 1 2 336.436 0.882 20 30 ECEDLO C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001057806794 773005869 /nfs/dbraw/zinc/00/58/69/773005869.db2.gz RLQJRSVTFLLIOS-OAHLLOKOSA-N 1 2 348.447 0.739 20 30 ECEDLO C#CCC1(C(=O)NCC[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001076835524 783070388 /nfs/dbraw/zinc/07/03/88/783070388.db2.gz ZYSUCXSDRKXLGV-AWEZNQCLSA-N 1 2 346.431 0.783 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC1CCN(c2ccnc(C#N)n2)CC1 ZINC001057888363 773136446 /nfs/dbraw/zinc/13/64/46/773136446.db2.gz NEFMWXVLOMBXDY-UHFFFAOYSA-N 1 2 325.376 0.708 20 30 ECEDLO C=CCC1(C(=O)NCCN(CCO)C(=O)Cn2cc[nH+]c2)CCC1 ZINC001057996765 773352943 /nfs/dbraw/zinc/35/29/43/773352943.db2.gz WTLDKOHCBBLIHP-UHFFFAOYSA-N 1 2 334.420 0.567 20 30 ECEDLO C=C[C@H](CC)CC(=O)NCCN(CCO)C(=O)Cc1[nH]c[nH+]c1C ZINC001058263291 773873554 /nfs/dbraw/zinc/87/35/54/773873554.db2.gz DKSWKEUAQPYAMS-CQSZACIVSA-N 1 2 336.436 0.800 20 30 ECEDLO C#CCCCCCC(=O)NCCN(CCO)C(=O)Cc1[nH]c[nH+]c1C ZINC001058263636 773874528 /nfs/dbraw/zinc/87/45/28/773874528.db2.gz SZVKSYGOWIZYDL-UHFFFAOYSA-N 1 2 348.447 0.781 20 30 ECEDLO N#Cc1nccnc1N1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001058265907 773879876 /nfs/dbraw/zinc/87/98/76/773879876.db2.gz WIDOCABEEMDIGA-YNEHKIRRSA-N 1 2 337.387 0.960 20 30 ECEDLO N#Cc1nccnc1N1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001058265907 773879884 /nfs/dbraw/zinc/87/98/84/773879884.db2.gz WIDOCABEEMDIGA-YNEHKIRRSA-N 1 2 337.387 0.960 20 30 ECEDLO CC#CCCCC(=O)N(CCO)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001058442347 774188998 /nfs/dbraw/zinc/18/89/98/774188998.db2.gz AQEOTUSFQDZAPC-UHFFFAOYSA-N 1 2 334.420 0.391 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)Cc1c[nH+]cn1C ZINC001058469019 774245157 /nfs/dbraw/zinc/24/51/57/774245157.db2.gz XHQMVWJPKLUUPQ-AWEZNQCLSA-N 1 2 336.436 0.502 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CCN(c3ccnc(C#N)n3)C2)c[nH+]1 ZINC001058584760 774478609 /nfs/dbraw/zinc/47/86/09/774478609.db2.gz ZRXDEUYDCCYTGC-CYBMUJFWSA-N 1 2 339.403 0.983 20 30 ECEDLO C=CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001058623362 774560850 /nfs/dbraw/zinc/56/08/50/774560850.db2.gz PRGZDJWWLJUODH-OAHLLOKOSA-N 1 2 348.447 0.739 20 30 ECEDLO CC#CCCCC(=O)NCC1(O)CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001045002792 774821830 /nfs/dbraw/zinc/82/18/30/774821830.db2.gz GRCAMVUFQRZFEL-UHFFFAOYSA-N 1 2 332.404 0.156 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001045207912 775149606 /nfs/dbraw/zinc/14/96/06/775149606.db2.gz PHMKKSOBPDFBJO-MJBXVCDLSA-N 1 2 349.435 0.807 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)CCO2 ZINC001068470107 790337543 /nfs/dbraw/zinc/33/75/43/790337543.db2.gz NROLREYQHFSGIS-KBPBESRZSA-N 1 2 346.431 0.850 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+](C[C@@H]2CCc3ncnn32)C1 ZINC001043923067 775324037 /nfs/dbraw/zinc/32/40/37/775324037.db2.gz LOBAJMMVDKHQQW-CFVMTHIKSA-N 1 2 331.420 0.499 20 30 ECEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001045542241 775765539 /nfs/dbraw/zinc/76/55/39/775765539.db2.gz IHTKJTJNQUPTTA-JTQLQIEISA-N 1 2 345.241 0.547 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001044141859 775779115 /nfs/dbraw/zinc/77/91/15/775779115.db2.gz SUKGFXZJTFGYNQ-CQSZACIVSA-N 1 2 334.420 0.565 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](F)c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001070040693 790422130 /nfs/dbraw/zinc/42/21/30/790422130.db2.gz AYHPVHGLGUPDJL-PMPSAXMXSA-N 1 2 327.363 0.964 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001070040693 790422134 /nfs/dbraw/zinc/42/21/34/790422134.db2.gz AYHPVHGLGUPDJL-PMPSAXMXSA-N 1 2 327.363 0.964 20 30 ECEDLO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001044475670 776336326 /nfs/dbraw/zinc/33/63/26/776336326.db2.gz XXOSYBYACYVURF-ZDUSSCGKSA-N 1 2 346.431 0.347 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 ZINC001044658033 776591896 /nfs/dbraw/zinc/59/18/96/776591896.db2.gz PXDVQFOSYLUWOR-UHFFFAOYSA-N 1 2 346.431 0.092 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001044667485 776608703 /nfs/dbraw/zinc/60/87/03/776608703.db2.gz WQZXWWVLSGWJMC-UHFFFAOYSA-N 1 2 346.431 0.399 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001079699054 776717570 /nfs/dbraw/zinc/71/75/70/776717570.db2.gz ZOWHAURUUWEQBE-CABCVRRESA-N 1 2 346.431 0.993 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC#CC)C[C@@H]2n2ccnn2)cn1 ZINC001070080797 790535654 /nfs/dbraw/zinc/53/56/54/790535654.db2.gz ZEESEPNTEWCIMU-SJORKVTESA-N 1 2 334.383 0.333 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC#CC)C[C@@H]2n2ccnn2)cn1 ZINC001070080797 790535657 /nfs/dbraw/zinc/53/56/57/790535657.db2.gz ZEESEPNTEWCIMU-SJORKVTESA-N 1 2 334.383 0.333 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cn3c(cccc3C)n2)[C@@H](n2ccnn2)C1 ZINC001070092477 790574851 /nfs/dbraw/zinc/57/48/51/790574851.db2.gz AMGFVBCZLFRVIZ-ZBFHGGJFSA-N 1 2 349.398 0.523 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn3c(cccc3C)n2)[C@@H](n2ccnn2)C1 ZINC001070092477 790574862 /nfs/dbraw/zinc/57/48/62/790574862.db2.gz AMGFVBCZLFRVIZ-ZBFHGGJFSA-N 1 2 349.398 0.523 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001043226439 778007070 /nfs/dbraw/zinc/00/70/70/778007070.db2.gz WKBHTKUBDSZTHE-CXAGYDPISA-N 1 2 348.447 0.880 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001043226439 778007081 /nfs/dbraw/zinc/00/70/81/778007081.db2.gz WKBHTKUBDSZTHE-CXAGYDPISA-N 1 2 348.447 0.880 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H](Nc2nccnc2C#N)C1 ZINC001043272546 778079962 /nfs/dbraw/zinc/07/99/62/778079962.db2.gz BCZSNBQJCXRPJG-QMTHXVAHSA-N 1 2 325.376 0.881 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cnnn3C)C[C@H]2C)nn1 ZINC001080584590 778091718 /nfs/dbraw/zinc/09/17/18/778091718.db2.gz FMKJCYCRERBJGJ-TZMCWYRMSA-N 1 2 344.423 0.233 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cnnn3C)C[C@H]2C)nn1 ZINC001080584590 778091727 /nfs/dbraw/zinc/09/17/27/778091727.db2.gz FMKJCYCRERBJGJ-TZMCWYRMSA-N 1 2 344.423 0.233 20 30 ECEDLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1Nc1nccnc1C#N ZINC001043426057 778307398 /nfs/dbraw/zinc/30/73/98/778307398.db2.gz KYNRYDUYJIJOGO-TZMCWYRMSA-N 1 2 325.376 0.894 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2n[nH]c3ccccc23)[C@@H](n2ccnn2)C1 ZINC001070101921 790612177 /nfs/dbraw/zinc/61/21/77/790612177.db2.gz OFGOCLAYEIRDTO-SJORKVTESA-N 1 2 349.398 0.372 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2n[nH]c3ccccc23)[C@@H](n2ccnn2)C1 ZINC001070101921 790612182 /nfs/dbraw/zinc/61/21/82/790612182.db2.gz OFGOCLAYEIRDTO-SJORKVTESA-N 1 2 349.398 0.372 20 30 ECEDLO CC(C)C[C@H](C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1)n1cc[nH+]c1 ZINC001043488000 778411304 /nfs/dbraw/zinc/41/13/04/778411304.db2.gz DOFWGLHQIVAHHJ-ZIAGYGMSSA-N 1 2 347.419 0.319 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)/C=C(/C)CC)C1 ZINC001043649539 778666691 /nfs/dbraw/zinc/66/66/91/778666691.db2.gz NRTFLUNWKWWUTG-LTBFUDJGSA-N 1 2 333.432 0.130 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)/C=C(/C)CC)C1 ZINC001043649539 778666694 /nfs/dbraw/zinc/66/66/94/778666694.db2.gz NRTFLUNWKWWUTG-LTBFUDJGSA-N 1 2 333.432 0.130 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C(CC)CC)C1 ZINC001043650245 778667532 /nfs/dbraw/zinc/66/75/32/778667532.db2.gz TWXSMEXSMDZTME-HNNXBMFYSA-N 1 2 335.448 0.210 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C(CC)CC)C1 ZINC001043650245 778667536 /nfs/dbraw/zinc/66/75/36/778667536.db2.gz TWXSMEXSMDZTME-HNNXBMFYSA-N 1 2 335.448 0.210 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070111612 790642370 /nfs/dbraw/zinc/64/23/70/790642370.db2.gz RGNXXSABOWCHKL-UAGQMJEPSA-N 1 2 345.447 0.706 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070111612 790642378 /nfs/dbraw/zinc/64/23/78/790642378.db2.gz RGNXXSABOWCHKL-UAGQMJEPSA-N 1 2 345.447 0.706 20 30 ECEDLO CC(C)C#CC(=O)N1CC2(C1)CC[C@@H](CNC(=O)Cn1cc[nH+]c1)O2 ZINC001068591916 790655627 /nfs/dbraw/zinc/65/56/27/790655627.db2.gz YSFDZZQCDGLINB-HNNXBMFYSA-N 1 2 344.415 0.419 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC001078753940 780440115 /nfs/dbraw/zinc/44/01/15/780440115.db2.gz LCTVENFGVMUGAF-LBPRGKRZSA-N 1 2 325.372 0.653 20 30 ECEDLO CC(C)C#CC(=O)NCC1(O)CN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001042941614 781074336 /nfs/dbraw/zinc/07/43/36/781074336.db2.gz PPNXFFOWALZQEK-AWEZNQCLSA-N 1 2 332.404 0.183 20 30 ECEDLO C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001043068877 781270258 /nfs/dbraw/zinc/27/02/58/781270258.db2.gz RQRZYWZUAWZGBD-UHFFFAOYSA-N 1 2 334.420 0.634 20 30 ECEDLO C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001043068877 781270259 /nfs/dbraw/zinc/27/02/59/781270259.db2.gz RQRZYWZUAWZGBD-UHFFFAOYSA-N 1 2 334.420 0.634 20 30 ECEDLO C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001043069351 781270974 /nfs/dbraw/zinc/27/09/74/781270974.db2.gz ZJIAZNHPEWBTHV-UHFFFAOYSA-N 1 2 334.420 0.565 20 30 ECEDLO C=C(C)CCC(=O)N1CC(O)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001043077510 781284697 /nfs/dbraw/zinc/28/46/97/781284697.db2.gz OZAUUFZTYVEQBL-AWEZNQCLSA-N 1 2 334.420 0.880 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001043081537 781291910 /nfs/dbraw/zinc/29/19/10/781291910.db2.gz BCHWKIKYTVNRGR-ZDUSSCGKSA-N 1 2 334.420 0.736 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(CC)C3=O)C[C@H]2O)CC1 ZINC001077624929 781375245 /nfs/dbraw/zinc/37/52/45/781375245.db2.gz IZJJYOMDYYLBBI-BZUAXINKSA-N 1 2 335.448 0.515 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(CC)C3=O)C[C@H]2O)CC1 ZINC001077624929 781375255 /nfs/dbraw/zinc/37/52/55/781375255.db2.gz IZJJYOMDYYLBBI-BZUAXINKSA-N 1 2 335.448 0.515 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3n[nH]cc3F)C2)cc1 ZINC001077634269 781392677 /nfs/dbraw/zinc/39/26/77/781392677.db2.gz SQQWLJVJHSLNGR-ZIAGYGMSSA-N 1 2 329.335 0.396 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3n[nH]cc3F)C2)cc1 ZINC001077634269 781392685 /nfs/dbraw/zinc/39/26/85/781392685.db2.gz SQQWLJVJHSLNGR-ZIAGYGMSSA-N 1 2 329.335 0.396 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2nccnc2C)C[C@H]1O ZINC001077698847 781538630 /nfs/dbraw/zinc/53/86/30/781538630.db2.gz CEJQRHQGYJOCST-MIGQKNRLSA-N 1 2 332.404 0.037 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@H]1O ZINC001077698847 781538640 /nfs/dbraw/zinc/53/86/40/781538640.db2.gz CEJQRHQGYJOCST-MIGQKNRLSA-N 1 2 332.404 0.037 20 30 ECEDLO C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001077745989 781635602 /nfs/dbraw/zinc/63/56/02/781635602.db2.gz BUHTWXYJLWYMAN-GHMZBOCLSA-N 1 2 329.198 0.022 20 30 ECEDLO N#Cc1cncc(NC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CCCO2)n1 ZINC001041505157 781652133 /nfs/dbraw/zinc/65/21/33/781652133.db2.gz JDBOVTOSRHPFRC-CQSZACIVSA-N 1 2 341.375 0.274 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@H](F)CC)C[C@H]2O)nn1 ZINC001077812551 781740481 /nfs/dbraw/zinc/74/04/81/781740481.db2.gz JYIGVRMJJKPNDM-YRGRVCCFSA-N 1 2 325.388 0.377 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@H](F)CC)C[C@H]2O)nn1 ZINC001077812551 781740486 /nfs/dbraw/zinc/74/04/86/781740486.db2.gz JYIGVRMJJKPNDM-YRGRVCCFSA-N 1 2 325.388 0.377 20 30 ECEDLO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3nccs3)C2)c1 ZINC001077883909 781872944 /nfs/dbraw/zinc/87/29/44/781872944.db2.gz VMIBJXRSGOFUBD-ZIAGYGMSSA-N 1 2 328.397 0.990 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3nccs3)C2)c1 ZINC001077883909 781872949 /nfs/dbraw/zinc/87/29/49/781872949.db2.gz VMIBJXRSGOFUBD-ZIAGYGMSSA-N 1 2 328.397 0.990 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NC[C@]1(O)CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001040813330 783489719 /nfs/dbraw/zinc/48/97/19/783489719.db2.gz PEJSCNNKZLUFIU-ZWKOTPCHSA-N 1 2 348.447 0.645 20 30 ECEDLO C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001070232287 783707206 /nfs/dbraw/zinc/70/72/06/783707206.db2.gz GIBGDGIFMAPREN-QWHCGFSZSA-N 1 2 347.419 0.530 20 30 ECEDLO C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCOCC1 ZINC001070232287 783707209 /nfs/dbraw/zinc/70/72/09/783707209.db2.gz GIBGDGIFMAPREN-QWHCGFSZSA-N 1 2 347.419 0.530 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H]([NH2+]Cc2nnc(C)[nH]2)[C@@H](n2ccnn2)C1 ZINC001070249945 783738760 /nfs/dbraw/zinc/73/87/60/783738760.db2.gz CNZIJDATVLXVNJ-OLZOCXBDSA-N 1 2 344.423 0.459 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)c2ccccc2O)C1=O ZINC001038070124 783814845 /nfs/dbraw/zinc/81/48/45/783814845.db2.gz DCOXPIYBMXWIKD-ZFWWWQNUSA-N 1 2 329.400 0.983 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)c2ccccc2O)C1=O ZINC001038070124 783814857 /nfs/dbraw/zinc/81/48/57/783814857.db2.gz DCOXPIYBMXWIKD-ZFWWWQNUSA-N 1 2 329.400 0.983 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)c2cn(C)nc2C)C1=O ZINC001038111624 783865518 /nfs/dbraw/zinc/86/55/18/783865518.db2.gz BRQSVJSZYKZQRW-UKRRQHHQSA-N 1 2 331.420 0.320 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)c2cn(C)nc2C)C1=O ZINC001038111624 783865527 /nfs/dbraw/zinc/86/55/27/783865527.db2.gz BRQSVJSZYKZQRW-UKRRQHHQSA-N 1 2 331.420 0.320 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)c2ncccc2C)C1=O ZINC001038148278 783918476 /nfs/dbraw/zinc/91/84/76/783918476.db2.gz SFYVUHSVJXOQBY-LSDHHAIUSA-N 1 2 328.416 0.981 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)c2ncccc2C)C1=O ZINC001038148278 783918481 /nfs/dbraw/zinc/91/84/81/783918481.db2.gz SFYVUHSVJXOQBY-LSDHHAIUSA-N 1 2 328.416 0.981 20 30 ECEDLO CN1CCOC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001038176565 783952528 /nfs/dbraw/zinc/95/25/28/783952528.db2.gz AQWCDPSBMNQFST-ROUUACIJSA-N 1 2 327.428 0.559 20 30 ECEDLO CN1CCOC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001038176565 783952534 /nfs/dbraw/zinc/95/25/34/783952534.db2.gz AQWCDPSBMNQFST-ROUUACIJSA-N 1 2 327.428 0.559 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1cscn1)C[C@H]2c1nnc(C)[nH]1 ZINC001070441572 784081738 /nfs/dbraw/zinc/08/17/38/784081738.db2.gz XMYZNNDEYISPHM-LBPRGKRZSA-N 1 2 342.428 0.744 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2c[nH]c(C)n2)C1 ZINC001070906690 784092096 /nfs/dbraw/zinc/09/20/96/784092096.db2.gz GUZFWHNSXAXSKV-CFVMTHIKSA-N 1 2 345.403 0.624 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2c[nH]c(C)n2)C1 ZINC001070906690 784092098 /nfs/dbraw/zinc/09/20/98/784092098.db2.gz GUZFWHNSXAXSKV-CFVMTHIKSA-N 1 2 345.403 0.624 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1[nH]ccc1C)C[C@H]2c1nnc(C)[nH]1 ZINC001070445705 784098380 /nfs/dbraw/zinc/09/83/80/784098380.db2.gz INTVWZHIALESSO-AWEZNQCLSA-N 1 2 338.415 0.924 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@@H](OC)C(C)C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070447356 784101366 /nfs/dbraw/zinc/10/13/66/784101366.db2.gz JBSNUOZYGLZVJU-CABCVRRESA-N 1 2 345.447 0.645 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1ccn(C)n1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070450469 784109361 /nfs/dbraw/zinc/10/93/61/784109361.db2.gz GSVJPGIHUKJKQY-CYBMUJFWSA-N 1 2 339.403 0.021 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001070924400 784124636 /nfs/dbraw/zinc/12/46/36/784124636.db2.gz RNUJLLPAZFYWJG-RBSFLKMASA-N 1 2 344.415 0.660 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001070924400 784124641 /nfs/dbraw/zinc/12/46/41/784124641.db2.gz RNUJLLPAZFYWJG-RBSFLKMASA-N 1 2 344.415 0.660 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2nc(C)oc2C)CC1 ZINC001071011382 784405632 /nfs/dbraw/zinc/40/56/32/784405632.db2.gz CIFBFPDMEPEKPO-UHFFFAOYSA-N 1 2 332.404 0.579 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2nc(C)oc2C)CC1 ZINC001071011382 784405636 /nfs/dbraw/zinc/40/56/36/784405636.db2.gz CIFBFPDMEPEKPO-UHFFFAOYSA-N 1 2 332.404 0.579 20 30 ECEDLO CN(c1cnc(C#N)cn1)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001068734130 791025448 /nfs/dbraw/zinc/02/54/48/791025448.db2.gz LCGYYLPHYCUZRT-UHFFFAOYSA-N 1 2 325.376 0.741 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2c(C)noc2C)CC1 ZINC001071020521 784437715 /nfs/dbraw/zinc/43/77/15/784437715.db2.gz HKWGSPUYZDDTCS-UHFFFAOYSA-N 1 2 334.420 0.670 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2c(C)noc2C)CC1 ZINC001071020521 784437719 /nfs/dbraw/zinc/43/77/19/784437719.db2.gz HKWGSPUYZDDTCS-UHFFFAOYSA-N 1 2 334.420 0.670 20 30 ECEDLO Cc1cc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)nn1C ZINC001070627425 784457910 /nfs/dbraw/zinc/45/79/10/784457910.db2.gz NSQOANQRAOERMF-TZMCWYRMSA-N 1 2 327.392 0.183 20 30 ECEDLO C[C@H](C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1)n1cccc1 ZINC001070640100 784476203 /nfs/dbraw/zinc/47/62/03/784476203.db2.gz PXMHLUMQWFOYHQ-RBSFLKMASA-N 1 2 326.404 0.890 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ccnn2C(F)F)C[C@H]1NCC#N ZINC001070652350 784499714 /nfs/dbraw/zinc/49/97/14/784499714.db2.gz PLCUPKGJWCTRQQ-GHMZBOCLSA-N 1 2 349.345 0.733 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ncn(C)n1)C[C@@H](C)O2 ZINC001071164226 784636849 /nfs/dbraw/zinc/63/68/49/784636849.db2.gz JEGMZXHVPPTVIZ-IUODEOHRSA-N 1 2 339.827 0.873 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1ncn(C)n1)C[C@@H](C)O2 ZINC001071164226 784636854 /nfs/dbraw/zinc/63/68/54/784636854.db2.gz JEGMZXHVPPTVIZ-IUODEOHRSA-N 1 2 339.827 0.873 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1ncnn1)C[C@@H](C)O2 ZINC001071169312 784647922 /nfs/dbraw/zinc/64/79/22/784647922.db2.gz PAGWKNLHIAGQJW-OCCSQVGLSA-N 1 2 340.815 0.117 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1ncnn1)C[C@@H](C)O2 ZINC001071169312 784647925 /nfs/dbraw/zinc/64/79/25/784647925.db2.gz PAGWKNLHIAGQJW-OCCSQVGLSA-N 1 2 340.815 0.117 20 30 ECEDLO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)c(C)cc1=O)C[C@H](C)O2 ZINC001071178493 784672946 /nfs/dbraw/zinc/67/29/46/784672946.db2.gz QFKWZCHYCGWJKA-KXBFYZLASA-N 1 2 343.427 0.632 20 30 ECEDLO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)c(C)cc1=O)C[C@H](C)O2 ZINC001071178493 784672952 /nfs/dbraw/zinc/67/29/52/784672952.db2.gz QFKWZCHYCGWJKA-KXBFYZLASA-N 1 2 343.427 0.632 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cnn[nH]1)C[C@H](C)O2 ZINC001071212417 784749436 /nfs/dbraw/zinc/74/94/36/784749436.db2.gz XHHXNTHOYCHIPJ-WMLDXEAASA-N 1 2 331.420 0.452 20 30 ECEDLO CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCc1cnn[nH]1)C[C@H](C)O2 ZINC001071212417 784749439 /nfs/dbraw/zinc/74/94/39/784749439.db2.gz XHHXNTHOYCHIPJ-WMLDXEAASA-N 1 2 331.420 0.452 20 30 ECEDLO C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H](C)O2 ZINC001071216501 784757610 /nfs/dbraw/zinc/75/76/10/784757610.db2.gz RELJGVSJTFAUIT-XJKSGUPXSA-N 1 2 344.477 0.687 20 30 ECEDLO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H](C)O2 ZINC001071216501 784757618 /nfs/dbraw/zinc/75/76/18/784757618.db2.gz RELJGVSJTFAUIT-XJKSGUPXSA-N 1 2 344.477 0.687 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3cccnc3)C2)C(=O)C1 ZINC001071251947 784839673 /nfs/dbraw/zinc/83/96/73/784839673.db2.gz MRKOLLHDGRPAQB-QGZVFWFLSA-N 1 2 340.427 0.854 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3cccnc3)C2)C(=O)C1 ZINC001071251947 784839679 /nfs/dbraw/zinc/83/96/79/784839679.db2.gz MRKOLLHDGRPAQB-QGZVFWFLSA-N 1 2 340.427 0.854 20 30 ECEDLO CO[C@H](C)C[N@@H+]1CCN([C@H]2CCCN(C(=O)C#CC3CC3)C2)C(=O)C1 ZINC001071264372 784884055 /nfs/dbraw/zinc/88/40/55/784884055.db2.gz UWXNDALHDIXXRL-WBVHZDCISA-N 1 2 347.459 0.570 20 30 ECEDLO CO[C@H](C)C[N@H+]1CCN([C@H]2CCCN(C(=O)C#CC3CC3)C2)C(=O)C1 ZINC001071264372 784884061 /nfs/dbraw/zinc/88/40/61/784884061.db2.gz UWXNDALHDIXXRL-WBVHZDCISA-N 1 2 347.459 0.570 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@H]3CC3(F)F)C2)C(=O)C1 ZINC001071264390 784885350 /nfs/dbraw/zinc/88/53/50/784885350.db2.gz VESPRDSGCDCSGF-ZIAGYGMSSA-N 1 2 339.386 0.800 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@H]3CC3(F)F)C2)C(=O)C1 ZINC001071264390 784885355 /nfs/dbraw/zinc/88/53/55/784885355.db2.gz VESPRDSGCDCSGF-ZIAGYGMSSA-N 1 2 339.386 0.800 20 30 ECEDLO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001071873873 785251831 /nfs/dbraw/zinc/25/18/31/785251831.db2.gz CKAHYTBZXQEPMZ-RISCZKNCSA-N 1 2 340.387 0.819 20 30 ECEDLO C#CCC[N@H+]1C[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC[C@@H]1C ZINC001071907765 785308442 /nfs/dbraw/zinc/30/84/42/785308442.db2.gz GIDGFXYKPFSVRJ-QWHCGFSZSA-N 1 2 342.403 0.064 20 30 ECEDLO C#CCC[N@@H+]1C[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC[C@@H]1C ZINC001071907765 785308451 /nfs/dbraw/zinc/30/84/51/785308451.db2.gz GIDGFXYKPFSVRJ-QWHCGFSZSA-N 1 2 342.403 0.064 20 30 ECEDLO C#CCC[N@H+]1C[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC[C@@H]1C ZINC001071907766 785309452 /nfs/dbraw/zinc/30/94/52/785309452.db2.gz GIDGFXYKPFSVRJ-STQMWFEESA-N 1 2 342.403 0.064 20 30 ECEDLO C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC[C@@H]1C ZINC001071907766 785309464 /nfs/dbraw/zinc/30/94/64/785309464.db2.gz GIDGFXYKPFSVRJ-STQMWFEESA-N 1 2 342.403 0.064 20 30 ECEDLO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001071921987 785340349 /nfs/dbraw/zinc/34/03/49/785340349.db2.gz NLFIIERESNWENG-ABAIWWIYSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001071921987 785340355 /nfs/dbraw/zinc/34/03/55/785340355.db2.gz NLFIIERESNWENG-ABAIWWIYSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)CCc1c[nH+]cn1C ZINC001071662048 785474540 /nfs/dbraw/zinc/47/45/40/785474540.db2.gz RPKRVQNDWQJGRK-JSGCOSHPSA-N 1 2 349.460 0.573 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001071994184 785494095 /nfs/dbraw/zinc/49/40/95/785494095.db2.gz AHCPVDPNPDSISH-KGLIPLIRSA-N 1 2 332.404 0.345 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(=O)NC3CC3)C2)nc1 ZINC001071998325 785501823 /nfs/dbraw/zinc/50/18/23/785501823.db2.gz IONRBHUMLIQACE-XJKSGUPXSA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(=O)NC3CC3)C2)nc1 ZINC001071998325 785501825 /nfs/dbraw/zinc/50/18/25/785501825.db2.gz IONRBHUMLIQACE-XJKSGUPXSA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(=O)NC3CC3)C2)nc1 ZINC001071998321 785502026 /nfs/dbraw/zinc/50/20/26/785502026.db2.gz IONRBHUMLIQACE-CJNGLKHVSA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(=O)NC3CC3)C2)nc1 ZINC001071998321 785502030 /nfs/dbraw/zinc/50/20/30/785502030.db2.gz IONRBHUMLIQACE-CJNGLKHVSA-N 1 2 340.427 0.924 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001072005960 785515072 /nfs/dbraw/zinc/51/50/72/785515072.db2.gz QNBNFLYHZOBTDI-CHWSQXEVSA-N 1 2 330.388 0.162 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001072005960 785515075 /nfs/dbraw/zinc/51/50/75/785515075.db2.gz QNBNFLYHZOBTDI-CHWSQXEVSA-N 1 2 330.388 0.162 20 30 ECEDLO C#CCOCCC(=O)N1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001072100195 785668698 /nfs/dbraw/zinc/66/86/98/785668698.db2.gz DKPIMMARXMCIED-GDBMZVCRSA-N 1 2 346.431 0.356 20 30 ECEDLO C#CCOCCC(=O)N1C[C@@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001072100085 785668909 /nfs/dbraw/zinc/66/89/09/785668909.db2.gz BZXWICUTRSVVRD-HUUCEWRRSA-N 1 2 346.431 0.356 20 30 ECEDLO C=CCCOCC(=O)N1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001072340515 786045352 /nfs/dbraw/zinc/04/53/52/786045352.db2.gz VZBSBDLJHATHJT-UKRRQHHQSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCCOCC(=O)N1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001072340515 786045355 /nfs/dbraw/zinc/04/53/55/786045355.db2.gz VZBSBDLJHATHJT-UKRRQHHQSA-N 1 2 334.420 0.898 20 30 ECEDLO C#CCN1CCO[C@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@H]21 ZINC001074245605 786502111 /nfs/dbraw/zinc/50/21/11/786502111.db2.gz QYUGHFJKVCIUTA-IRXDYDNUSA-N 1 2 342.443 0.697 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC001074263795 786540338 /nfs/dbraw/zinc/54/03/38/786540338.db2.gz PBQAOLVYDSAALK-ZFWWWQNUSA-N 1 2 332.404 0.345 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc4n(n3)CCO4)C[C@@H]21 ZINC001074266327 786545487 /nfs/dbraw/zinc/54/54/87/786545487.db2.gz IOQAPWJEYBDRSY-LSDHHAIUSA-N 1 2 330.388 0.214 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc4n(n3)CCO4)C[C@@H]21 ZINC001074266327 786545494 /nfs/dbraw/zinc/54/54/94/786545494.db2.gz IOQAPWJEYBDRSY-LSDHHAIUSA-N 1 2 330.388 0.214 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnc4n3CCOC4)C[C@@H]21 ZINC001074268017 786549636 /nfs/dbraw/zinc/54/96/36/786549636.db2.gz BHJUVMHUJYZMJM-JKSUJKDBSA-N 1 2 344.415 0.352 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnc4n3CCOC4)C[C@@H]21 ZINC001074268017 786549639 /nfs/dbraw/zinc/54/96/39/786549639.db2.gz BHJUVMHUJYZMJM-JKSUJKDBSA-N 1 2 344.415 0.352 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C[C@@H]21 ZINC001074268265 786550259 /nfs/dbraw/zinc/55/02/59/786550259.db2.gz HEYAHXBBCMBMGK-LSDHHAIUSA-N 1 2 332.404 0.272 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C[C@@H]21 ZINC001074268265 786550264 /nfs/dbraw/zinc/55/02/64/786550264.db2.gz HEYAHXBBCMBMGK-LSDHHAIUSA-N 1 2 332.404 0.272 20 30 ECEDLO C=CCCC(=O)N1CCN(C2CN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001073552901 786569640 /nfs/dbraw/zinc/56/96/40/786569640.db2.gz ITBCJQJCQKQOIU-UHFFFAOYSA-N 1 2 331.420 0.204 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(C(N)=O)c3)C[C@@H]21 ZINC001074278957 786575104 /nfs/dbraw/zinc/57/51/04/786575104.db2.gz CSLNFKOXVXLLOH-DLBZAZTESA-N 1 2 341.411 0.724 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(C(N)=O)c3)C[C@@H]21 ZINC001074278957 786575110 /nfs/dbraw/zinc/57/51/10/786575110.db2.gz CSLNFKOXVXLLOH-DLBZAZTESA-N 1 2 341.411 0.724 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn4c(n3)COCC4)C[C@H]21 ZINC001074279077 786575229 /nfs/dbraw/zinc/57/52/29/786575229.db2.gz FULIDAFIJRYCPG-CVEARBPZSA-N 1 2 344.415 0.352 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn4c(n3)COCC4)C[C@H]21 ZINC001074279077 786575234 /nfs/dbraw/zinc/57/52/34/786575234.db2.gz FULIDAFIJRYCPG-CVEARBPZSA-N 1 2 344.415 0.352 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3cc(CC)nn3C)C[C@H]21 ZINC001074302923 786635663 /nfs/dbraw/zinc/63/56/63/786635663.db2.gz ZKBVOCQSOMGELI-QZTJIDSGSA-N 1 2 344.459 0.850 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3cc(CC)nn3C)C[C@H]21 ZINC001074302923 786635671 /nfs/dbraw/zinc/63/56/71/786635671.db2.gz ZKBVOCQSOMGELI-QZTJIDSGSA-N 1 2 344.459 0.850 20 30 ECEDLO C=C(C)CCC(=O)N1CCN(C2CN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001073576514 786659030 /nfs/dbraw/zinc/65/90/30/786659030.db2.gz NHLSNFKQQWPMHG-UHFFFAOYSA-N 1 2 345.447 0.664 20 30 ECEDLO C=CCCC(=O)N1CC(N2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001073581835 786678983 /nfs/dbraw/zinc/67/89/83/786678983.db2.gz SOMZAEIYGNGJNL-UHFFFAOYSA-N 1 2 345.447 0.284 20 30 ECEDLO C#CCCCC(=O)N1CC(N2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001073593847 786725188 /nfs/dbraw/zinc/72/51/88/786725188.db2.gz AVONZYLIYPJEAV-UHFFFAOYSA-N 1 2 343.431 0.111 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)COc3cccnc3)C[C@H]21 ZINC001074362535 786757984 /nfs/dbraw/zinc/75/79/84/786757984.db2.gz GTGLBASRLNEDTG-IAGOWNOFSA-N 1 2 329.400 0.785 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)COc3cccnc3)C[C@H]21 ZINC001074362535 786757991 /nfs/dbraw/zinc/75/79/91/786757991.db2.gz GTGLBASRLNEDTG-IAGOWNOFSA-N 1 2 329.400 0.785 20 30 ECEDLO C#CCC[N@@H+]1CCCO[C@H](CNC(=O)c2cncc3nc[nH]c32)C1 ZINC001073611210 786767831 /nfs/dbraw/zinc/76/78/31/786767831.db2.gz QJXJKCXDEGXJEG-CYBMUJFWSA-N 1 2 327.388 0.802 20 30 ECEDLO C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cncc3nc[nH]c32)C1 ZINC001073611210 786767837 /nfs/dbraw/zinc/76/78/37/786767837.db2.gz QJXJKCXDEGXJEG-CYBMUJFWSA-N 1 2 327.388 0.802 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(CC)nn3C)C[C@H]21 ZINC001074366958 786771660 /nfs/dbraw/zinc/77/16/60/786771660.db2.gz ZNEIZGCDGILFJM-IAGOWNOFSA-N 1 2 330.432 0.921 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(CC)nn3C)C[C@H]21 ZINC001074366958 786771666 /nfs/dbraw/zinc/77/16/66/786771666.db2.gz ZNEIZGCDGILFJM-IAGOWNOFSA-N 1 2 330.432 0.921 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C(C)C)nn3)C[C@H]21 ZINC001074370476 786780319 /nfs/dbraw/zinc/78/03/19/786780319.db2.gz AUBVRZPQAKMQLH-HZPDHXFCSA-N 1 2 331.420 0.798 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C(C)C)nn3)C[C@H]21 ZINC001074370476 786780321 /nfs/dbraw/zinc/78/03/21/786780321.db2.gz AUBVRZPQAKMQLH-HZPDHXFCSA-N 1 2 331.420 0.798 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC[C@H]2OCC[N@@H+](CCCO)[C@@H]2C1 ZINC001074392058 786835483 /nfs/dbraw/zinc/83/54/83/786835483.db2.gz DBTXBIMXHBNHTD-RTBURBONSA-N 1 2 342.439 0.895 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC[C@H]2OCC[N@H+](CCCO)[C@@H]2C1 ZINC001074392058 786835492 /nfs/dbraw/zinc/83/54/92/786835492.db2.gz DBTXBIMXHBNHTD-RTBURBONSA-N 1 2 342.439 0.895 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCN3CCCC3=O)C[C@H]21 ZINC001074402067 786863454 /nfs/dbraw/zinc/86/34/54/786863454.db2.gz CJARHLWZYWHEMR-HZPDHXFCSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCN3CCCC3=O)C[C@H]21 ZINC001074402067 786863471 /nfs/dbraw/zinc/86/34/71/786863471.db2.gz CJARHLWZYWHEMR-HZPDHXFCSA-N 1 2 333.432 0.324 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001073649493 786872497 /nfs/dbraw/zinc/87/24/97/786872497.db2.gz WUHOCIVNHRARMG-GFCCVEGCSA-N 1 2 326.784 0.755 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001073649493 786872505 /nfs/dbraw/zinc/87/25/05/786872505.db2.gz WUHOCIVNHRARMG-GFCCVEGCSA-N 1 2 326.784 0.755 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC001073665021 786913003 /nfs/dbraw/zinc/91/30/03/786913003.db2.gz SHVXZPNWCQBXCB-CQSZACIVSA-N 1 2 339.823 0.959 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2ccn(C)c(=O)c2)C1 ZINC001073665021 786913007 /nfs/dbraw/zinc/91/30/07/786913007.db2.gz SHVXZPNWCQBXCB-CQSZACIVSA-N 1 2 339.823 0.959 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001073810582 787242413 /nfs/dbraw/zinc/24/24/13/787242413.db2.gz XIIOMMRGCCRUIJ-DZKIICNBSA-N 1 2 339.436 0.050 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001073810582 787242419 /nfs/dbraw/zinc/24/24/19/787242419.db2.gz XIIOMMRGCCRUIJ-DZKIICNBSA-N 1 2 339.436 0.050 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001073820099 787263761 /nfs/dbraw/zinc/26/37/61/787263761.db2.gz NYBLYXYRMFEEFK-DZGCQCFKSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001073820099 787263767 /nfs/dbraw/zinc/26/37/67/787263767.db2.gz NYBLYXYRMFEEFK-DZGCQCFKSA-N 1 2 334.420 0.898 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cccn(C)c2=O)C1 ZINC001073859213 787377681 /nfs/dbraw/zinc/37/76/81/787377681.db2.gz DAZOWHWTBRYTJR-ZDUSSCGKSA-N 1 2 339.823 0.959 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2cccn(C)c2=O)C1 ZINC001073859213 787377688 /nfs/dbraw/zinc/37/76/88/787377688.db2.gz DAZOWHWTBRYTJR-ZDUSSCGKSA-N 1 2 339.823 0.959 20 30 ECEDLO C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001073895795 787463902 /nfs/dbraw/zinc/46/39/02/787463902.db2.gz BLAHMDODPQJXEQ-KGLIPLIRSA-N 1 2 330.450 0.347 20 30 ECEDLO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001073895795 787463904 /nfs/dbraw/zinc/46/39/04/787463904.db2.gz BLAHMDODPQJXEQ-KGLIPLIRSA-N 1 2 330.450 0.347 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001073902097 787483912 /nfs/dbraw/zinc/48/39/12/787483912.db2.gz SIHWIXLKYHZYEX-LSDHHAIUSA-N 1 2 343.855 0.957 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001073902097 787483916 /nfs/dbraw/zinc/48/39/16/787483916.db2.gz SIHWIXLKYHZYEX-LSDHHAIUSA-N 1 2 343.855 0.957 20 30 ECEDLO C=CCCC(=O)NCC1(O)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001074656678 787522466 /nfs/dbraw/zinc/52/24/66/787522466.db2.gz VVTHDABUCNCHGE-UHFFFAOYSA-N 1 2 334.420 0.697 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001073920642 787526084 /nfs/dbraw/zinc/52/60/84/787526084.db2.gz CJGGFXUXFSDOOT-KGLIPLIRSA-N 1 2 334.420 0.898 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)CC[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001073921740 787529856 /nfs/dbraw/zinc/52/98/56/787529856.db2.gz QUFYQCMAJJFPCC-STQMWFEESA-N 1 2 349.460 0.952 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC(O)(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001074680156 787577164 /nfs/dbraw/zinc/57/71/64/787577164.db2.gz OSKSGXYRTOADMD-KBPBESRZSA-N 1 2 348.447 0.880 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001073960241 787587105 /nfs/dbraw/zinc/58/71/05/787587105.db2.gz LLEMAFZAADSNIX-HUUCEWRRSA-N 1 2 346.431 0.735 20 30 ECEDLO Cn1[nH]c(C[N@H+](C)C[C@H]2CCCCN2C(=O)C#CC2CC2)nc1=O ZINC001074013019 787676192 /nfs/dbraw/zinc/67/61/92/787676192.db2.gz ZFXQDDIMEHTGFL-CQSZACIVSA-N 1 2 331.420 0.335 20 30 ECEDLO Cn1[nH]c(C[N@@H+](C)C[C@H]2CCCCN2C(=O)C#CC2CC2)nc1=O ZINC001074013019 787676199 /nfs/dbraw/zinc/67/61/99/787676199.db2.gz ZFXQDDIMEHTGFL-CQSZACIVSA-N 1 2 331.420 0.335 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001074089726 787853028 /nfs/dbraw/zinc/85/30/28/787853028.db2.gz HJKHKRZCMOJJKD-HIFRSBDPSA-N 1 2 346.431 0.654 20 30 ECEDLO O=C(C#CC1CC1)N1CC2(C1)CC[N@@H+](CC(=O)Nc1cnccn1)C2 ZINC001072718872 788644873 /nfs/dbraw/zinc/64/48/73/788644873.db2.gz QYXPIIFLJFJZOX-UHFFFAOYSA-N 1 2 339.399 0.363 20 30 ECEDLO O=C(C#CC1CC1)N1CC2(C1)CC[N@H+](CC(=O)Nc1cnccn1)C2 ZINC001072718872 788644879 /nfs/dbraw/zinc/64/48/79/788644879.db2.gz QYXPIIFLJFJZOX-UHFFFAOYSA-N 1 2 339.399 0.363 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)C#CC2CC2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001074981648 788661028 /nfs/dbraw/zinc/66/10/28/788661028.db2.gz KAGPBWYZCHGSIB-UKRRQHHQSA-N 1 2 328.416 0.872 20 30 ECEDLO C=CCOCCCC(=O)N[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001072799554 788823782 /nfs/dbraw/zinc/82/37/82/788823782.db2.gz XKLZAMVWSCEMJY-HIFRSBDPSA-N 1 2 334.420 0.898 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1nnnn1C)C2 ZINC001072994489 789245614 /nfs/dbraw/zinc/24/56/14/789245614.db2.gz DEZMJTQGDGWCKC-MJBXVCDLSA-N 1 2 346.435 0.397 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1nnnn1C)C2 ZINC001072994489 789245621 /nfs/dbraw/zinc/24/56/21/789245621.db2.gz DEZMJTQGDGWCKC-MJBXVCDLSA-N 1 2 346.435 0.397 20 30 ECEDLO C=CCN1CC[C@H]([NH2+]Cc2cn([C@@H]3CCCN(C(C)=O)C3)nn2)C1=O ZINC001075373150 789289395 /nfs/dbraw/zinc/28/93/95/789289395.db2.gz TXAYGJVEAHFXSB-CVEARBPZSA-N 1 2 346.435 0.338 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC1(C)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001073129884 789494473 /nfs/dbraw/zinc/49/44/73/789494473.db2.gz KYSWICVDTPESIS-CQSZACIVSA-N 1 2 332.404 0.419 20 30 ECEDLO C[C@@H]1C[C@H](Nc2ccnc(C#N)n2)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001069220961 789672920 /nfs/dbraw/zinc/67/29/20/789672920.db2.gz HFHFCFQLHCSMKP-YPMHNXCESA-N 1 2 325.376 0.527 20 30 ECEDLO C[C@@H]1C[C@H](Nc2ccnc(C#N)n2)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001069220961 789672928 /nfs/dbraw/zinc/67/29/28/789672928.db2.gz HFHFCFQLHCSMKP-YPMHNXCESA-N 1 2 325.376 0.527 20 30 ECEDLO C[C@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCCN1c1ccnc(C#N)n1 ZINC001069375095 789782662 /nfs/dbraw/zinc/78/26/62/789782662.db2.gz DARWPRDWSLJZGT-GXTWGEPZSA-N 1 2 339.403 0.798 20 30 ECEDLO C[C@H]1[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1c1nccnc1C#N ZINC001069384395 789790174 /nfs/dbraw/zinc/79/01/74/789790174.db2.gz XQGRWTAMIGPUOQ-NWDGAFQWSA-N 1 2 325.376 0.788 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1c1ccc(C#N)nn1 ZINC001069416026 789811600 /nfs/dbraw/zinc/81/16/00/789811600.db2.gz ZHZOLQBQBRFCQO-FZMZJTMJSA-N 1 2 325.376 0.788 20 30 ECEDLO C=CCOCC(=O)NC1(CC)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001069454723 789833742 /nfs/dbraw/zinc/83/37/42/789833742.db2.gz KPNLKKUHQOJSFO-UHFFFAOYSA-N 1 2 334.420 0.973 20 30 ECEDLO N#Cc1nccnc1NC[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001069475597 789850591 /nfs/dbraw/zinc/85/05/91/789850591.db2.gz JJZGAPARGIAWGN-QWHCGFSZSA-N 1 2 325.376 0.942 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3C[C@H]3C(=O)N(C)C)c2C1 ZINC001069874031 790135988 /nfs/dbraw/zinc/13/59/88/790135988.db2.gz IAINUZFDAFTTFT-LSDHHAIUSA-N 1 2 345.447 0.615 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3C[C@H]3C(=O)N(C)C)c2C1 ZINC001069874031 790135991 /nfs/dbraw/zinc/13/59/91/790135991.db2.gz IAINUZFDAFTTFT-LSDHHAIUSA-N 1 2 345.447 0.615 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccnn2C2CCC2)[C@@H](n2ccnn2)C1 ZINC001069929365 790201240 /nfs/dbraw/zinc/20/12/40/790201240.db2.gz DAKWAZXTYCBNNB-ZBFHGGJFSA-N 1 2 339.403 0.488 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccnn2C2CCC2)[C@@H](n2ccnn2)C1 ZINC001069929365 790201242 /nfs/dbraw/zinc/20/12/42/790201242.db2.gz DAKWAZXTYCBNNB-ZBFHGGJFSA-N 1 2 339.403 0.488 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)[nH]nc2Cl)[C@@H](n2ccnn2)C1 ZINC001069943414 790220263 /nfs/dbraw/zinc/22/02/63/790220263.db2.gz RQKASWZUZZRYAW-MNOVXSKESA-N 1 2 333.783 0.252 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)[nH]nc2Cl)[C@@H](n2ccnn2)C1 ZINC001069943414 790220267 /nfs/dbraw/zinc/22/02/67/790220267.db2.gz RQKASWZUZZRYAW-MNOVXSKESA-N 1 2 333.783 0.252 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069967132 790254720 /nfs/dbraw/zinc/25/47/20/790254720.db2.gz OXBYQUWRNMZGSU-KGLIPLIRSA-N 1 2 327.392 0.413 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069967132 790254723 /nfs/dbraw/zinc/25/47/23/790254723.db2.gz OXBYQUWRNMZGSU-KGLIPLIRSA-N 1 2 327.392 0.413 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccn3nccc23)[C@@H](n2ccnn2)C1 ZINC001069969445 790257860 /nfs/dbraw/zinc/25/78/60/790257860.db2.gz WJSNAFLALRCDLQ-WBVHZDCISA-N 1 2 349.398 0.604 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cccn3nccc23)[C@@H](n2ccnn2)C1 ZINC001069969445 790257864 /nfs/dbraw/zinc/25/78/64/790257864.db2.gz WJSNAFLALRCDLQ-WBVHZDCISA-N 1 2 349.398 0.604 20 30 ECEDLO CC#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001068973386 791529993 /nfs/dbraw/zinc/52/99/93/791529993.db2.gz SMDVPEYYQRUDKS-HNNXBMFYSA-N 1 2 344.415 0.632 20 30 ECEDLO C=CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)Cc1[nH]cc[nH+]1)CO2 ZINC001068983096 791547902 /nfs/dbraw/zinc/54/79/02/791547902.db2.gz GTYALTOHVQYUJL-ZDUSSCGKSA-N 1 2 332.404 0.795 20 30 ECEDLO C[C@H](C#N)C(=O)N[C@H]1COC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001069004346 791577576 /nfs/dbraw/zinc/57/75/76/791577576.db2.gz VXCRAKUSUJDVIH-VXGBXAGGSA-N 1 2 345.403 0.333 20 30 ECEDLO C[C@@H](C#N)C(=O)N[C@@H]1COC2(CN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001069004647 791578160 /nfs/dbraw/zinc/57/81/60/791578160.db2.gz YAZUHXLVUPOVAU-KBPBESRZSA-N 1 2 345.403 0.309 20 30 ECEDLO C#CCCCCC(=O)N1CC2(C1)C[C@H](NC(=O)Cc1c[nH]c[nH+]1)CO2 ZINC001069058782 791665403 /nfs/dbraw/zinc/66/54/03/791665403.db2.gz KEIJGHPYOHCUNL-HNNXBMFYSA-N 1 2 344.415 0.632 20 30 ECEDLO C[C@@H]1C[C@@H](Nc2ccnc(C#N)n2)CN1C(=O)CCn1cc[nH+]c1 ZINC001069180055 791763066 /nfs/dbraw/zinc/76/30/66/791763066.db2.gz CWZCXAQSOBEXLH-CHWSQXEVSA-N 1 2 325.376 0.458 20 30 ECEDLO Cc1cc(NC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CCO2)c(C#N)cn1 ZINC001066680422 791976501 /nfs/dbraw/zinc/97/65/01/791976501.db2.gz JXPITJICBKMZJX-HNNXBMFYSA-N 1 2 340.387 0.289 20 30 ECEDLO CSCC(=O)N1CC[C@H]([NH+]2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001066696257 792010924 /nfs/dbraw/zinc/01/09/24/792010924.db2.gz FFRLGQVYDGONIC-AWEZNQCLSA-N 1 2 346.460 0.434 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(c3ncc(F)cn3)CC2)C1 ZINC001066697796 792014644 /nfs/dbraw/zinc/01/46/44/792014644.db2.gz CUSSAQBNKRKJME-JSGCOSHPSA-N 1 2 332.383 0.498 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001066699004 792019796 /nfs/dbraw/zinc/01/97/96/792019796.db2.gz QWEORWPIOTXEGA-HIFRSBDPSA-N 1 2 339.403 0.231 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]1CN(C)c1[nH+]cnc2c1cnn2C ZINC001067742942 792211944 /nfs/dbraw/zinc/21/19/44/792211944.db2.gz RTVQRBBTPZNNDT-RYUDHWBXSA-N 1 2 327.392 0.950 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1)c1ccnc(C#N)n1 ZINC001067748857 792221297 /nfs/dbraw/zinc/22/12/97/792221297.db2.gz GXXUAERRNFBEDZ-UONOGXRCSA-N 1 2 344.419 0.106 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1)c1ccnc(C#N)n1 ZINC001067748857 792221308 /nfs/dbraw/zinc/22/13/08/792221308.db2.gz GXXUAERRNFBEDZ-UONOGXRCSA-N 1 2 344.419 0.106 20 30 ECEDLO N#Cc1nccnc1N[C@@]1(CO)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001066923449 792394157 /nfs/dbraw/zinc/39/41/57/792394157.db2.gz LVJXJOLHVIICQU-INIZCTEOSA-N 1 2 341.375 0.079 20 30 ECEDLO N#Cc1ccc(N[C@@]2(CO)CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC001066923397 792394592 /nfs/dbraw/zinc/39/45/92/792394592.db2.gz JSHDBKCHPGOVHA-INIZCTEOSA-N 1 2 341.375 0.079 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[C@H](C)[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001067966860 792520082 /nfs/dbraw/zinc/52/00/82/792520082.db2.gz FYIGPNTXLFJRGD-FZMZJTMJSA-N 1 2 339.403 0.954 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1Nc1nccnc1C#N ZINC001067085311 792684317 /nfs/dbraw/zinc/68/43/17/792684317.db2.gz ZCSJUKODCXRRRX-AAEUAGOBSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@H](Nc1cnc(C#N)cn1)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001068245377 792925323 /nfs/dbraw/zinc/92/53/23/792925323.db2.gz KUKHQFCPTIFTJT-SMDDNHRTSA-N 1 2 341.375 0.342 20 30 ECEDLO CC1(C)CN(c2ccc(C#N)nn2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067327395 792995129 /nfs/dbraw/zinc/99/51/29/792995129.db2.gz XFHPOKTXKZBXSF-CQSZACIVSA-N 1 2 339.403 0.966 20 30 ECEDLO C[C@@H]1C[C@H](CNc2cncc(C#N)n2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001068346085 793093327 /nfs/dbraw/zinc/09/33/27/793093327.db2.gz DLRAXQIKQNFPSH-VXGBXAGGSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@@H]1CN(c2ccc(C#N)nn2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067402748 793103233 /nfs/dbraw/zinc/10/32/33/793103233.db2.gz JXHYISZDTSDPQJ-OCCSQVGLSA-N 1 2 325.376 0.576 20 30 ECEDLO C[C@@H]1C[C@H](CNc2ccnc(C#N)n2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001068376636 793151955 /nfs/dbraw/zinc/15/19/55/793151955.db2.gz XWBFZZUZDYTVRG-VXGBXAGGSA-N 1 2 325.376 0.385 20 30 ECEDLO C[C@@H]1C[C@@H](CNc2ccnc(C#N)n2)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001068380942 793158797 /nfs/dbraw/zinc/15/87/97/793158797.db2.gz NDAXKWUNARLCPV-OLZOCXBDSA-N 1 2 339.403 0.775 20 30 ECEDLO C[C@@H]1C[C@@H](CNc2ccnc(C#N)n2)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001068380942 793158802 /nfs/dbraw/zinc/15/88/02/793158802.db2.gz NDAXKWUNARLCPV-OLZOCXBDSA-N 1 2 339.403 0.775 20 30 ECEDLO C=CCCC(=O)N1CC2(C1)CN(C(=O)CCc1c[nH]c[nH+]1)CCO2 ZINC001068407017 793241900 /nfs/dbraw/zinc/24/19/00/793241900.db2.gz MNZNDTGHFOXDGB-UHFFFAOYSA-N 1 2 332.404 0.748 20 30 ECEDLO C=CCCC(=O)N1CC2(C1)CN(C(=O)CCc1c[nH+]c[nH]1)CCO2 ZINC001068407017 793241906 /nfs/dbraw/zinc/24/19/06/793241906.db2.gz MNZNDTGHFOXDGB-UHFFFAOYSA-N 1 2 332.404 0.748 20 30 ECEDLO C#CCCCC(=O)N1CC2(C1)CN(C(=O)CCc1c[nH]c[nH+]1)CCO2 ZINC001068407282 793243801 /nfs/dbraw/zinc/24/38/01/793243801.db2.gz XJOGTPANEQBOGE-UHFFFAOYSA-N 1 2 344.415 0.586 20 30 ECEDLO C#CCCCC(=O)N1CC2(C1)CN(C(=O)CCc1c[nH+]c[nH]1)CCO2 ZINC001068407282 793243809 /nfs/dbraw/zinc/24/38/09/793243809.db2.gz XJOGTPANEQBOGE-UHFFFAOYSA-N 1 2 344.415 0.586 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CN(C(=O)Cn1cc[nH+]c1)CCO2 ZINC001068409875 793254019 /nfs/dbraw/zinc/25/40/19/793254019.db2.gz YPBVNKASJGZBKH-HNNXBMFYSA-N 1 2 346.431 0.925 20 30 ECEDLO CN(CCN1CC[NH+](Cc2ccccn2)CC1)C(=O)CSCC#N ZINC001267573177 837813703 /nfs/dbraw/zinc/81/37/03/837813703.db2.gz AKNUCNUKJAYWBW-UHFFFAOYSA-N 1 2 347.488 0.914 20 30 ECEDLO Cc1n[nH]c(C)c1CCC(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001267576343 837830713 /nfs/dbraw/zinc/83/07/13/837830713.db2.gz WJLYEPYHGDJCFA-UHFFFAOYSA-N 1 2 332.452 0.559 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(CCNC(=O)c2ccc(C)o2)CC1 ZINC001266279301 835606666 /nfs/dbraw/zinc/60/66/66/835606666.db2.gz LLMIBKLUQJXJJH-HNNXBMFYSA-N 1 2 348.447 0.626 20 30 ECEDLO C[C@@H](C(=O)NCC[N@H+](C)Cc1ccccc1C#N)N1C(=O)CCC1=O ZINC001266280812 835609367 /nfs/dbraw/zinc/60/93/67/835609367.db2.gz USFOIKZDWZCZCQ-ZDUSSCGKSA-N 1 2 342.399 0.644 20 30 ECEDLO C[C@@H](C(=O)NCC[N@@H+](C)Cc1ccccc1C#N)N1C(=O)CCC1=O ZINC001266280812 835609370 /nfs/dbraw/zinc/60/93/70/835609370.db2.gz USFOIKZDWZCZCQ-ZDUSSCGKSA-N 1 2 342.399 0.644 20 30 ECEDLO N#CCN1CC[NH+](CCNC(=O)[C@@H]2COc3cc(F)ccc3C2)CC1 ZINC001266285724 835620680 /nfs/dbraw/zinc/62/06/80/835620680.db2.gz KPRITZPVOSHTRD-HNNXBMFYSA-N 1 2 346.406 0.634 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)CCNC(=O)[C@H]1CO[C@H](C)C1 ZINC001266291042 835635472 /nfs/dbraw/zinc/63/54/72/835635472.db2.gz SJWORWBQDRSPPV-HUUCEWRRSA-N 1 2 325.453 0.884 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CO[C@H](C)C1 ZINC001266291042 835635476 /nfs/dbraw/zinc/63/54/76/835635476.db2.gz SJWORWBQDRSPPV-HUUCEWRRSA-N 1 2 325.453 0.884 20 30 ECEDLO CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CSCC#N)C1 ZINC001266302249 835663887 /nfs/dbraw/zinc/66/38/87/835663887.db2.gz MGHIFOZNAODJKX-OLZOCXBDSA-N 1 2 326.466 0.738 20 30 ECEDLO CCC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](NC(=O)CSCC#N)C1 ZINC001266302249 835663890 /nfs/dbraw/zinc/66/38/90/835663890.db2.gz MGHIFOZNAODJKX-OLZOCXBDSA-N 1 2 326.466 0.738 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(C)o2)C1 ZINC001266308627 835674597 /nfs/dbraw/zinc/67/45/97/835674597.db2.gz ZGCGZGJEUYLQOL-HNNXBMFYSA-N 1 2 349.431 0.940 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(C)o2)C1 ZINC001266308627 835674598 /nfs/dbraw/zinc/67/45/98/835674598.db2.gz ZGCGZGJEUYLQOL-HNNXBMFYSA-N 1 2 349.431 0.940 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2n[nH]cc2C)C1 ZINC001266316521 835685126 /nfs/dbraw/zinc/68/51/26/835685126.db2.gz FELIKZHWBNXNHI-AWEZNQCLSA-N 1 2 333.436 0.947 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)c2n[nH]cc2C)C1 ZINC001266316521 835685129 /nfs/dbraw/zinc/68/51/29/835685129.db2.gz FELIKZHWBNXNHI-AWEZNQCLSA-N 1 2 333.436 0.947 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC001266318012 835686544 /nfs/dbraw/zinc/68/65/44/835686544.db2.gz XMIXUPOAKFNCHF-ZFWWWQNUSA-N 1 2 344.477 0.329 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC001266318012 835686548 /nfs/dbraw/zinc/68/65/48/835686548.db2.gz XMIXUPOAKFNCHF-ZFWWWQNUSA-N 1 2 344.477 0.329 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)nnc2CC)C1 ZINC001266327930 835709538 /nfs/dbraw/zinc/70/95/38/835709538.db2.gz OUYYWJFBXLCRKU-CYBMUJFWSA-N 1 2 331.420 0.454 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)nnc2CC)C1 ZINC001266327930 835709544 /nfs/dbraw/zinc/70/95/44/835709544.db2.gz OUYYWJFBXLCRKU-CYBMUJFWSA-N 1 2 331.420 0.454 20 30 ECEDLO C=CCOCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)C1 ZINC001266328093 835709606 /nfs/dbraw/zinc/70/96/06/835709606.db2.gz SWAKOWGEZRVCAQ-KGLIPLIRSA-N 1 2 330.450 0.204 20 30 ECEDLO C=CCOCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)C1 ZINC001266328093 835709611 /nfs/dbraw/zinc/70/96/11/835709611.db2.gz SWAKOWGEZRVCAQ-KGLIPLIRSA-N 1 2 330.450 0.204 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N[C@H](C)CC)C2)nn1 ZINC001266346556 835737263 /nfs/dbraw/zinc/73/72/63/835737263.db2.gz CXQKTNHUYZIFER-KGLIPLIRSA-N 1 2 348.451 0.573 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)N[C@H](C)CC)C2)nn1 ZINC001266346556 835737273 /nfs/dbraw/zinc/73/72/73/835737273.db2.gz CXQKTNHUYZIFER-KGLIPLIRSA-N 1 2 348.451 0.573 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C)nc2OCC)C1 ZINC001266349806 835745437 /nfs/dbraw/zinc/74/54/37/835745437.db2.gz MSKRNZPGDCVLFW-AWEZNQCLSA-N 1 2 346.431 0.895 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)nc2OCC)C1 ZINC001266349806 835745443 /nfs/dbraw/zinc/74/54/43/835745443.db2.gz MSKRNZPGDCVLFW-AWEZNQCLSA-N 1 2 346.431 0.895 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2conc2COC)C1 ZINC001266353670 835756418 /nfs/dbraw/zinc/75/64/18/835756418.db2.gz ZPGGZJANBNJJLY-NEPJUHHUSA-N 1 2 336.392 0.316 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2conc2COC)C1 ZINC001266353670 835756425 /nfs/dbraw/zinc/75/64/25/835756425.db2.gz ZPGGZJANBNJJLY-NEPJUHHUSA-N 1 2 336.392 0.316 20 30 ECEDLO CC[C@H](CC(F)F)C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001266468248 835870573 /nfs/dbraw/zinc/87/05/73/835870573.db2.gz MVFPGRINMLHADU-NEPJUHHUSA-N 1 2 330.379 0.888 20 30 ECEDLO CC[C@H](CC(F)F)C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001266468248 835870578 /nfs/dbraw/zinc/87/05/78/835870578.db2.gz MVFPGRINMLHADU-NEPJUHHUSA-N 1 2 330.379 0.888 20 30 ECEDLO Cc1csc(CCC(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NCC#N)n1 ZINC001266474134 835877576 /nfs/dbraw/zinc/87/75/76/835877576.db2.gz IAVKZEPKQGNBFU-ZDUSSCGKSA-N 1 2 349.460 0.605 20 30 ECEDLO Cc1csc(CCC(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NCC#N)n1 ZINC001266474134 835877583 /nfs/dbraw/zinc/87/75/83/835877583.db2.gz IAVKZEPKQGNBFU-ZDUSSCGKSA-N 1 2 349.460 0.605 20 30 ECEDLO Cc1n[nH]c(C)c1CCC(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001266495455 835895961 /nfs/dbraw/zinc/89/59/61/835895961.db2.gz MZDVSJCBLHNOKH-CQSZACIVSA-N 1 2 346.435 0.180 20 30 ECEDLO Cc1n[nH]c(C)c1CCC(=O)NC[C@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001266495455 835895970 /nfs/dbraw/zinc/89/59/70/835895970.db2.gz MZDVSJCBLHNOKH-CQSZACIVSA-N 1 2 346.435 0.180 20 30 ECEDLO COCC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001266769809 836278873 /nfs/dbraw/zinc/27/88/73/836278873.db2.gz IRLJIZXOMFXFOW-HUUCEWRRSA-N 1 2 342.461 0.042 20 30 ECEDLO COCC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001266769809 836278883 /nfs/dbraw/zinc/27/88/83/836278883.db2.gz IRLJIZXOMFXFOW-HUUCEWRRSA-N 1 2 342.461 0.042 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CCn1cccc1 ZINC001266858989 836397483 /nfs/dbraw/zinc/39/74/83/836397483.db2.gz VQMVKCIRAUSWPQ-OAHLLOKOSA-N 1 2 331.420 0.489 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCn1cccc1 ZINC001266858989 836397494 /nfs/dbraw/zinc/39/74/94/836397494.db2.gz VQMVKCIRAUSWPQ-OAHLLOKOSA-N 1 2 331.420 0.489 20 30 ECEDLO C[N@H+](CCNC(=O)C#CC1CC1)CC(=O)Nc1ccccc1C(N)=O ZINC001267193919 836958393 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347.419 0.974 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cc[nH]c2)C1 ZINC001267936825 838822607 /nfs/dbraw/zinc/82/26/07/838822607.db2.gz BURQVDFOQMMCDW-GXTWGEPZSA-N 1 2 347.419 0.609 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cc[nH]c2)C1 ZINC001267936825 838822619 /nfs/dbraw/zinc/82/26/19/838822619.db2.gz BURQVDFOQMMCDW-GXTWGEPZSA-N 1 2 347.419 0.609 20 30 ECEDLO Cc1cncc(CCC(=O)N[C@@H]2CCC[N@H+](CC(=O)NCC#N)C2)c1 ZINC001267949200 838841306 /nfs/dbraw/zinc/84/13/06/838841306.db2.gz CZIAVLYJHCUCFN-MRXNPFEDSA-N 1 2 343.431 0.543 20 30 ECEDLO Cc1cncc(CCC(=O)N[C@@H]2CCC[N@@H+](CC(=O)NCC#N)C2)c1 ZINC001267949200 838841311 /nfs/dbraw/zinc/84/13/11/838841311.db2.gz CZIAVLYJHCUCFN-MRXNPFEDSA-N 1 2 343.431 0.543 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CCC2(CC[N@@H+](Cc3nnnn3C)C2)CC1 ZINC001267973645 838905896 /nfs/dbraw/zinc/90/58/96/838905896.db2.gz WAZPUVIEJXRHRR-MRXNPFEDSA-N 1 2 348.451 0.352 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CCC2(CC[N@H+](Cc3nnnn3C)C2)CC1 ZINC001267973645 838905905 /nfs/dbraw/zinc/90/59/05/838905905.db2.gz WAZPUVIEJXRHRR-MRXNPFEDSA-N 1 2 348.451 0.352 20 30 ECEDLO C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)c2cnc3n[nH]cc3c2)C1 ZINC001268024594 839013738 /nfs/dbraw/zinc/01/37/38/839013738.db2.gz JEUGMJIIYTURNV-HNNXBMFYSA-N 1 2 345.403 0.591 20 30 ECEDLO C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)c2cnc3n[nH]cc3c2)C1 ZINC001268024594 839013746 /nfs/dbraw/zinc/01/37/46/839013746.db2.gz JEUGMJIIYTURNV-HNNXBMFYSA-N 1 2 345.403 0.591 20 30 ECEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H]3CS(N)(=O)=O)o2)cc1 ZINC000440653098 283120254 /nfs/dbraw/zinc/12/02/54/283120254.db2.gz ZXZKIZMYWUDCKP-ZDUSSCGKSA-N 1 2 347.400 0.861 20 30 ECEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3CS(N)(=O)=O)o2)cc1 ZINC000440653098 283120256 /nfs/dbraw/zinc/12/02/56/283120256.db2.gz ZXZKIZMYWUDCKP-ZDUSSCGKSA-N 1 2 347.400 0.861 20 30 ECEDLO C#Cc1ccc(CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000297586561 202134362 /nfs/dbraw/zinc/13/43/62/202134362.db2.gz MJPVCZZSNSWLSR-KRWDZBQOSA-N 1 2 331.416 0.502 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](O)c2ccccc2)CC1 ZINC000077987106 201183822 /nfs/dbraw/zinc/18/38/22/201183822.db2.gz QCUVDZWDEIAUEB-QGZVFWFLSA-N 1 2 329.400 0.004 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](O)c2ccccc2)CC1 ZINC000077987106 201183825 /nfs/dbraw/zinc/18/38/25/201183825.db2.gz QCUVDZWDEIAUEB-QGZVFWFLSA-N 1 2 329.400 0.004 20 30 ECEDLO C=CCNC(=O)c1ccc(NCC[NH+]2CCN(C(C)=O)CC2)nc1 ZINC000264840527 201212290 /nfs/dbraw/zinc/21/22/90/201212290.db2.gz GRKDUGHBTHCIDK-UHFFFAOYSA-N 1 2 331.420 0.573 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2nc(N)ns2)CC1 ZINC000268325069 201225311 /nfs/dbraw/zinc/22/53/11/201225311.db2.gz VKJABHBZOCKCRS-LBPRGKRZSA-N 1 2 336.465 0.831 20 30 ECEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000271134412 201243054 /nfs/dbraw/zinc/24/30/54/201243054.db2.gz NOEOWMYWHGVKTF-ABAIWWIYSA-N 1 2 342.355 0.949 20 30 ECEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000271134412 201243057 /nfs/dbraw/zinc/24/30/57/201243057.db2.gz NOEOWMYWHGVKTF-ABAIWWIYSA-N 1 2 342.355 0.949 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+](CCCOC)[C@H]1CCS(=O)(=O)C1 ZINC000272656509 201252330 /nfs/dbraw/zinc/25/23/30/201252330.db2.gz GGULCUQVJYJTDT-HNNXBMFYSA-N 1 2 344.477 0.713 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+](CCCOC)[C@H]1CCS(=O)(=O)C1 ZINC000272656509 201252333 /nfs/dbraw/zinc/25/23/33/201252333.db2.gz GGULCUQVJYJTDT-HNNXBMFYSA-N 1 2 344.477 0.713 20 30 ECEDLO C=CCC[N@@H+](C)CC(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1 ZINC000276358208 201293320 /nfs/dbraw/zinc/29/33/20/201293320.db2.gz FNZKSXWULYPLDX-ZDUSSCGKSA-N 1 2 340.449 0.998 20 30 ECEDLO C=CCC[N@H+](C)CC(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1 ZINC000276358208 201293322 /nfs/dbraw/zinc/29/33/22/201293322.db2.gz FNZKSXWULYPLDX-ZDUSSCGKSA-N 1 2 340.449 0.998 20 30 ECEDLO CCCNC(=O)NC(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000263719332 245577949 /nfs/dbraw/zinc/57/79/49/245577949.db2.gz OHLCIIIMANDOFL-UHFFFAOYSA-N 1 2 329.404 0.916 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)[C@@H](C)C1 ZINC000249140122 206350590 /nfs/dbraw/zinc/35/05/90/206350590.db2.gz FNGQXYJUAIAGII-RYUDHWBXSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)[C@@H](C)C1 ZINC000249140122 206350595 /nfs/dbraw/zinc/35/05/95/206350595.db2.gz FNGQXYJUAIAGII-RYUDHWBXSA-N 1 2 341.408 0.773 20 30 ECEDLO CNC(=O)NC[C@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)CCO1 ZINC000528621326 269696780 /nfs/dbraw/zinc/69/67/80/269696780.db2.gz GJGSZUXALXGDLB-HNNXBMFYSA-N 1 2 345.403 0.517 20 30 ECEDLO CNC(=O)NC[C@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CCO1 ZINC000528621326 269696781 /nfs/dbraw/zinc/69/67/81/269696781.db2.gz GJGSZUXALXGDLB-HNNXBMFYSA-N 1 2 345.403 0.517 20 30 ECEDLO C=CCC[NH+]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000132408085 254498604 /nfs/dbraw/zinc/49/86/04/254498604.db2.gz UFSPWCNFUVYCFR-UHFFFAOYSA-N 1 2 336.417 0.739 20 30 ECEDLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CSCC#N ZINC000265433184 254518695 /nfs/dbraw/zinc/51/86/95/254518695.db2.gz GDJZIQCOKBBTKE-CQSZACIVSA-N 1 2 333.461 0.965 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2nnn(-c3ccn(C)n3)c2C)CC1 ZINC000293317915 254580365 /nfs/dbraw/zinc/58/03/65/254580365.db2.gz FVHIFVHZKPEGPL-UHFFFAOYSA-N 1 2 327.392 0.090 20 30 ECEDLO CCn1nncc1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000328725816 254591183 /nfs/dbraw/zinc/59/11/83/254591183.db2.gz BOTVXNSKMFLORP-CQSZACIVSA-N 1 2 325.438 0.811 20 30 ECEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCN(C2CC2)C(=O)C1 ZINC000328838065 254593279 /nfs/dbraw/zinc/59/32/79/254593279.db2.gz TXLILFHIYHSTRI-CYBMUJFWSA-N 1 2 329.404 0.881 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000330974751 254646528 /nfs/dbraw/zinc/64/65/28/254646528.db2.gz DVOZJEBHJNYCSZ-YOEHRIQHSA-N 1 2 332.452 0.985 20 30 ECEDLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)CC2(C#N)CCC2)[C@H](C)C1 ZINC000357464313 254725713 /nfs/dbraw/zinc/72/57/13/254725713.db2.gz IDCLANAIRCBHLD-CYBMUJFWSA-N 1 2 343.449 0.579 20 30 ECEDLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)CC2(C#N)CCC2)[C@H](C)C1 ZINC000357464313 254725715 /nfs/dbraw/zinc/72/57/15/254725715.db2.gz IDCLANAIRCBHLD-CYBMUJFWSA-N 1 2 343.449 0.579 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(C)CC(=O)Nc2cccc(F)c2)CC1 ZINC000490841435 254887724 /nfs/dbraw/zinc/88/77/24/254887724.db2.gz UWEPELVBCBDKSJ-UHFFFAOYSA-N 1 2 346.406 0.473 20 30 ECEDLO C#CCn1ccc(CN(CCOC)C(=O)NCc2[nH+]ccn2C)n1 ZINC000491713748 254929948 /nfs/dbraw/zinc/92/99/48/254929948.db2.gz KRKYBEKVDPGGCQ-UHFFFAOYSA-N 1 2 330.392 0.608 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496419223 255098370 /nfs/dbraw/zinc/09/83/70/255098370.db2.gz PYXJESHYCZCBTA-GUYCJALGSA-N 1 2 341.452 0.981 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496419223 255098371 /nfs/dbraw/zinc/09/83/71/255098371.db2.gz PYXJESHYCZCBTA-GUYCJALGSA-N 1 2 341.452 0.981 20 30 ECEDLO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC001077941443 781981884 /nfs/dbraw/zinc/98/18/84/781981884.db2.gz OIAZZQAOQUGNOT-HUUCEWRRSA-N 1 2 325.372 0.270 20 30 ECEDLO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC001077941443 781981890 /nfs/dbraw/zinc/98/18/90/781981890.db2.gz OIAZZQAOQUGNOT-HUUCEWRRSA-N 1 2 325.372 0.270 20 30 ECEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000451895538 292046363 /nfs/dbraw/zinc/04/63/63/292046363.db2.gz XZVMRBUGVWHLCU-OKILXGFUSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000451895538 292046365 /nfs/dbraw/zinc/04/63/65/292046365.db2.gz XZVMRBUGVWHLCU-OKILXGFUSA-N 1 2 337.445 0.942 20 30 ECEDLO CCOC1CC(CNC(=O)c2cc(C#N)cn2C)([NH+]2CCOCC2)C1 ZINC000194793258 165072008 /nfs/dbraw/zinc/07/20/08/165072008.db2.gz SFUBYVKOECYVJW-UHFFFAOYSA-N 1 2 346.431 0.896 20 30 ECEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)cc1 ZINC000360300551 270007143 /nfs/dbraw/zinc/00/71/43/270007143.db2.gz WAGVOEUUONIUAR-OCCSQVGLSA-N 1 2 336.417 0.085 20 30 ECEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)cc1 ZINC000360300551 270007144 /nfs/dbraw/zinc/00/71/44/270007144.db2.gz WAGVOEUUONIUAR-OCCSQVGLSA-N 1 2 336.417 0.085 20 30 ECEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000344721981 265774131 /nfs/dbraw/zinc/77/41/31/265774131.db2.gz ZODQNAWJEILOLL-UHFFFAOYSA-N 1 2 344.415 0.654 20 30 ECEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000344721981 265774137 /nfs/dbraw/zinc/77/41/37/265774137.db2.gz ZODQNAWJEILOLL-UHFFFAOYSA-N 1 2 344.415 0.654 20 30 ECEDLO CCCNC(=O)NC(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355119816 266057385 /nfs/dbraw/zinc/05/73/85/266057385.db2.gz CVQRCDRUAKAHDE-UHFFFAOYSA-N 1 2 330.392 0.311 20 30 ECEDLO CC[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(C#N)c(C)c1 ZINC000362958927 266107036 /nfs/dbraw/zinc/10/70/36/266107036.db2.gz UFJZCNQNCHOOKF-INIZCTEOSA-N 1 2 349.456 0.992 20 30 ECEDLO CC[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(C#N)c(C)c1 ZINC000362958927 266107037 /nfs/dbraw/zinc/10/70/37/266107037.db2.gz UFJZCNQNCHOOKF-INIZCTEOSA-N 1 2 349.456 0.992 20 30 ECEDLO CCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1[nH+]ccn1C ZINC000348587426 266329092 /nfs/dbraw/zinc/32/90/92/266329092.db2.gz IIYCIQGICYETEO-UHFFFAOYSA-N 1 2 327.344 0.945 20 30 ECEDLO COCC[NH+](CCOC)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289318560 266684337 /nfs/dbraw/zinc/68/43/37/266684337.db2.gz ULWPLVCXLWVEGP-UHFFFAOYSA-N 1 2 327.406 0.322 20 30 ECEDLO C[C@@H]1C[NH+](CCN(C)S(=O)(=O)c2cncc(C#N)c2)C[C@@H](C)O1 ZINC000352907795 267050794 /nfs/dbraw/zinc/05/07/94/267050794.db2.gz GDMDDUAXMGTJIC-CHWSQXEVSA-N 1 2 338.433 0.683 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC000341894867 267066640 /nfs/dbraw/zinc/06/66/40/267066640.db2.gz JYTZOYBSDWKBHI-KGLIPLIRSA-N 1 2 349.460 0.684 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC000341894867 267066642 /nfs/dbraw/zinc/06/66/42/267066642.db2.gz JYTZOYBSDWKBHI-KGLIPLIRSA-N 1 2 349.460 0.684 20 30 ECEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000286143492 267140029 /nfs/dbraw/zinc/14/00/29/267140029.db2.gz XUHOGZKXBBGLRK-DFBGVHRSSA-N 1 2 327.388 0.983 20 30 ECEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000286143492 267140031 /nfs/dbraw/zinc/14/00/31/267140031.db2.gz XUHOGZKXBBGLRK-DFBGVHRSSA-N 1 2 327.388 0.983 20 30 ECEDLO C[C@H](O)CNc1cc(N2CCN(c3ncccc3C#N)CC2)nc[nH+]1 ZINC000354170410 267191411 /nfs/dbraw/zinc/19/14/11/267191411.db2.gz UCFBVTIRLFWCTG-ZDUSSCGKSA-N 1 2 339.403 0.863 20 30 ECEDLO C[C@H](O)CNc1cc(N2CCN(c3ncccc3C#N)CC2)[nH+]cn1 ZINC000354170410 267191414 /nfs/dbraw/zinc/19/14/14/267191414.db2.gz UCFBVTIRLFWCTG-ZDUSSCGKSA-N 1 2 339.403 0.863 20 30 ECEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000332497718 267280768 /nfs/dbraw/zinc/28/07/68/267280768.db2.gz ZLGOCLDXYILKMV-HZPDHXFCSA-N 1 2 342.399 0.737 20 30 ECEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000332497718 267280771 /nfs/dbraw/zinc/28/07/71/267280771.db2.gz ZLGOCLDXYILKMV-HZPDHXFCSA-N 1 2 342.399 0.737 20 30 ECEDLO CN(C)c1nccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)n1 ZINC000515347266 267295545 /nfs/dbraw/zinc/29/55/45/267295545.db2.gz ARVIVHUJLBUCJT-UHFFFAOYSA-N 1 2 346.416 0.373 20 30 ECEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000332481405 267303653 /nfs/dbraw/zinc/30/36/53/267303653.db2.gz VMGWBCOKIYHSDD-HZPDHXFCSA-N 1 2 342.399 0.737 20 30 ECEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000332481405 267303657 /nfs/dbraw/zinc/30/36/57/267303657.db2.gz VMGWBCOKIYHSDD-HZPDHXFCSA-N 1 2 342.399 0.737 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccc(C#N)cn1 ZINC000529753334 267331217 /nfs/dbraw/zinc/33/12/17/267331217.db2.gz QGGOPBLZGMKBRJ-QGZVFWFLSA-N 1 2 330.388 0.299 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccc(C#N)cn1 ZINC000529753334 267331222 /nfs/dbraw/zinc/33/12/22/267331222.db2.gz QGGOPBLZGMKBRJ-QGZVFWFLSA-N 1 2 330.388 0.299 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@@H](S(N)(=O)=O)C3)C2=O)cc1 ZINC000331696877 268124050 /nfs/dbraw/zinc/12/40/50/268124050.db2.gz UYMIFUIAMQTHEZ-HUUCEWRRSA-N 1 2 348.428 0.416 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@@H](S(N)(=O)=O)C3)C2=O)cc1 ZINC000331696877 268124053 /nfs/dbraw/zinc/12/40/53/268124053.db2.gz UYMIFUIAMQTHEZ-HUUCEWRRSA-N 1 2 348.428 0.416 20 30 ECEDLO N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)nc1 ZINC000340137715 268136605 /nfs/dbraw/zinc/13/66/05/268136605.db2.gz IGVSKFQGUZSQGD-ZDUSSCGKSA-N 1 2 336.355 0.682 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)o1 ZINC000376353037 268194046 /nfs/dbraw/zinc/19/40/46/268194046.db2.gz PYUWOZQFYAIEIY-STQMWFEESA-N 1 2 325.390 0.371 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NCC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000298248809 268198468 /nfs/dbraw/zinc/19/84/68/268198468.db2.gz YHHKCLBJNNPEFB-UHFFFAOYSA-N 1 2 347.400 0.240 20 30 ECEDLO N#Cc1ncccc1S(=O)(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000277235124 268329357 /nfs/dbraw/zinc/32/93/57/268329357.db2.gz TYXNGKYIKPGYMI-UHFFFAOYSA-N 1 2 336.417 0.439 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCN(c3ncccc3C(N)=O)CC2)C1=O ZINC000282090731 276897127 /nfs/dbraw/zinc/89/71/27/276897127.db2.gz VEZGVPWIIRRMHF-AWEZNQCLSA-N 1 2 329.404 0.089 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cccnc3-n3cncn3)C[C@H]21 ZINC000329925392 277123543 /nfs/dbraw/zinc/12/35/43/277123543.db2.gz JRVAYVMPKIBIAR-CHWSQXEVSA-N 1 2 329.364 0.223 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cccnc3-n3cncn3)C[C@H]21 ZINC000329925392 277123545 /nfs/dbraw/zinc/12/35/45/277123545.db2.gz JRVAYVMPKIBIAR-CHWSQXEVSA-N 1 2 329.364 0.223 20 30 ECEDLO CC(C)C(=O)N1CCC(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000329734305 277327465 /nfs/dbraw/zinc/32/74/65/277327465.db2.gz RIIISHHULGALQZ-LSDHHAIUSA-N 1 2 338.452 0.562 20 30 ECEDLO CC(C)C(=O)N1CCC(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000329734305 277327466 /nfs/dbraw/zinc/32/74/66/277327466.db2.gz RIIISHHULGALQZ-LSDHHAIUSA-N 1 2 338.452 0.562 20 30 ECEDLO CC(C)N1CC[C@H](NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)C1=O ZINC000329232205 279522450 /nfs/dbraw/zinc/52/24/50/279522450.db2.gz LDBVYTSASNBSBC-ZNMIVQPWSA-N 1 2 338.452 0.705 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCOC[C@H]2C2CC2)CC1 ZINC000246013506 280134727 /nfs/dbraw/zinc/13/47/27/280134727.db2.gz KOOWRXKMFKTQIP-IRXDYDNUSA-N 1 2 334.464 0.790 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCOC[C@H]2C2CC2)CC1 ZINC000246013506 280134728 /nfs/dbraw/zinc/13/47/28/280134728.db2.gz KOOWRXKMFKTQIP-IRXDYDNUSA-N 1 2 334.464 0.790 20 30 ECEDLO C[C@@H]1C[N@@H+](C[C@H]2CCCN2S(=O)(=O)N(C)CCC#N)C[C@H](C)O1 ZINC000408071252 297027039 /nfs/dbraw/zinc/02/70/39/297027039.db2.gz BFYOGHYMZYIMJR-QLFBSQMISA-N 1 2 344.481 0.650 20 30 ECEDLO C[C@@H]1C[N@H+](C[C@H]2CCCN2S(=O)(=O)N(C)CCC#N)C[C@H](C)O1 ZINC000408071252 297027040 /nfs/dbraw/zinc/02/70/40/297027040.db2.gz BFYOGHYMZYIMJR-QLFBSQMISA-N 1 2 344.481 0.650 20 30 ECEDLO O=C(NCC[NH+]1CCOCC1)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000329000485 295377598 /nfs/dbraw/zinc/37/75/98/295377598.db2.gz VRKDUPSRBOPXNC-ZNMIVQPWSA-N 1 2 327.425 0.094 20 30 ECEDLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000188314532 300248719 /nfs/dbraw/zinc/24/87/19/300248719.db2.gz PNNAAYJVDNHPBG-LBPRGKRZSA-N 1 2 338.433 0.419 20 30 ECEDLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000188314532 300248723 /nfs/dbraw/zinc/24/87/23/300248723.db2.gz PNNAAYJVDNHPBG-LBPRGKRZSA-N 1 2 338.433 0.419 20 30 ECEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CC(=O)N1CCOCC1 ZINC000007607622 436012472 /nfs/dbraw/zinc/01/24/72/436012472.db2.gz KQPWXVLAALOTFV-ZDUSSCGKSA-N 1 2 330.388 0.676 20 30 ECEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CC(=O)N1CCOCC1 ZINC000007607622 436012480 /nfs/dbraw/zinc/01/24/80/436012480.db2.gz KQPWXVLAALOTFV-ZDUSSCGKSA-N 1 2 330.388 0.676 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000025044044 436143560 /nfs/dbraw/zinc/14/35/60/436143560.db2.gz JIHHFWSGKMVQMQ-UHFFFAOYSA-N 1 2 337.445 0.732 20 30 ECEDLO N#CCCNS(=O)(=O)c1ccc(C(=O)NCCn2cc[nH+]c2)cc1 ZINC000078962900 436285018 /nfs/dbraw/zinc/28/50/18/436285018.db2.gz VCKKEFYVHJKJGL-UHFFFAOYSA-N 1 2 347.400 0.505 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000078334405 436264680 /nfs/dbraw/zinc/26/46/80/436264680.db2.gz UMOPWOMWJGBICL-RHSMWYFYSA-N 1 2 337.468 0.135 20 30 ECEDLO C[C@@H]1CN(C(=O)CN(CCC#N)CC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000078720398 436274838 /nfs/dbraw/zinc/27/48/38/436274838.db2.gz XSBBNCKCJFZFTB-IYBDPMFKSA-N 1 2 338.452 0.170 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(CC(=O)NC(C)C)CC1 ZINC000042474611 436302673 /nfs/dbraw/zinc/30/26/73/436302673.db2.gz NHCNNQCWYDRRJV-INIZCTEOSA-N 1 2 338.496 0.942 20 30 ECEDLO C#CCN1CCN(C(=O)C[NH+]2CCN(c3cccc(C)c3)CC2)CC1 ZINC000081646779 436353222 /nfs/dbraw/zinc/35/32/22/436353222.db2.gz CYZHEFOYUWMXKI-UHFFFAOYSA-N 1 2 340.471 0.894 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000046778004 436399086 /nfs/dbraw/zinc/39/90/86/436399086.db2.gz DVOCQEIPQIMLCS-ZDUSSCGKSA-N 1 2 346.391 0.872 20 30 ECEDLO CCN(CCC#N)C(=O)CN1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000088595070 436403293 /nfs/dbraw/zinc/40/32/93/436403293.db2.gz BQIQGFVEDSDOCM-INIZCTEOSA-N 1 2 349.479 0.377 20 30 ECEDLO Cc1occc1C(=O)NCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000081714286 436354695 /nfs/dbraw/zinc/35/46/95/436354695.db2.gz WRCGQNVNWMNXHL-UHFFFAOYSA-N 1 2 348.403 0.392 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)N1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000081758996 436355788 /nfs/dbraw/zinc/35/57/88/436355788.db2.gz HKEUWHMNBCHNGG-HNNXBMFYSA-N 1 2 329.448 0.996 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000105930736 436588405 /nfs/dbraw/zinc/58/84/05/436588405.db2.gz CCKCQQVIWVMQRS-CRAIPNDOSA-N 1 2 346.479 0.981 20 30 ECEDLO COC(=O)CC[N@H+](CC(=O)NCC#N)Cc1ccc(F)c(F)c1 ZINC000111255717 436630487 /nfs/dbraw/zinc/63/04/87/436630487.db2.gz CBZMHXOVABEOAR-UHFFFAOYSA-N 1 2 325.315 0.970 20 30 ECEDLO COC(=O)CC[N@@H+](CC(=O)NCC#N)Cc1ccc(F)c(F)c1 ZINC000111255717 436630488 /nfs/dbraw/zinc/63/04/88/436630488.db2.gz CBZMHXOVABEOAR-UHFFFAOYSA-N 1 2 325.315 0.970 20 30 ECEDLO N#Cc1ccccc1OCC[NH+]1CCN(CC(=O)NC2CC2)CC1 ZINC000060465555 436633365 /nfs/dbraw/zinc/63/33/65/436633365.db2.gz JJNDKASCDOSPSC-UHFFFAOYSA-N 1 2 328.416 0.833 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc3c(c2)CCO3)CC1 ZINC000112904761 436634415 /nfs/dbraw/zinc/63/44/15/436634415.db2.gz JPLVBAFPOCOUHS-UHFFFAOYSA-N 1 2 341.411 0.519 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc3c(c2)CCO3)CC1 ZINC000112904761 436634417 /nfs/dbraw/zinc/63/44/17/436634417.db2.gz JPLVBAFPOCOUHS-UHFFFAOYSA-N 1 2 341.411 0.519 20 30 ECEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(N3CCNC3=O)CC2)cc1 ZINC000115536544 436647803 /nfs/dbraw/zinc/64/78/03/436647803.db2.gz HJYNYPNJNGFTQT-HNNXBMFYSA-N 1 2 327.388 0.574 20 30 ECEDLO CC[C@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CC[N@@H+]1CCOC ZINC000117371576 436656972 /nfs/dbraw/zinc/65/69/72/436656972.db2.gz JEEXYBFYEIKHGM-AWEZNQCLSA-N 1 2 338.433 0.685 20 30 ECEDLO CC[C@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CC[N@H+]1CCOC ZINC000117371576 436656974 /nfs/dbraw/zinc/65/69/74/436656974.db2.gz JEEXYBFYEIKHGM-AWEZNQCLSA-N 1 2 338.433 0.685 20 30 ECEDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CC[N@@H+]1CCOC ZINC000117371575 436658103 /nfs/dbraw/zinc/65/81/03/436658103.db2.gz JEEXYBFYEIKHGM-CQSZACIVSA-N 1 2 338.433 0.685 20 30 ECEDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CC[N@H+]1CCOC ZINC000117371575 436658109 /nfs/dbraw/zinc/65/81/09/436658109.db2.gz JEEXYBFYEIKHGM-CQSZACIVSA-N 1 2 338.433 0.685 20 30 ECEDLO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)c1ccc(CC#N)cc1 ZINC000270392294 436672673 /nfs/dbraw/zinc/67/26/73/436672673.db2.gz CGLZKKXNMVIREI-UHFFFAOYSA-N 1 2 345.399 0.700 20 30 ECEDLO NC(C[NH+]1CCN(c2ccccc2)CC1)=NOCCC1OCCO1 ZINC000120189032 436682079 /nfs/dbraw/zinc/68/20/79/436682079.db2.gz PWPRIHZKNBPBJH-UHFFFAOYSA-N 1 2 334.420 0.860 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(CC(N)=O)[C@H](C)c2ccccc2)CC1 ZINC000123780957 436742817 /nfs/dbraw/zinc/74/28/17/436742817.db2.gz QGBFSIKUTHNXIW-MRXNPFEDSA-N 1 2 342.443 0.312 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)[C@H](C)C1 ZINC000248662646 436808162 /nfs/dbraw/zinc/80/81/62/436808162.db2.gz YPIQGMQMCCUMGC-NEPJUHHUSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)[C@H](C)C1 ZINC000248662646 436808163 /nfs/dbraw/zinc/80/81/63/436808163.db2.gz YPIQGMQMCCUMGC-NEPJUHHUSA-N 1 2 341.408 0.773 20 30 ECEDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000155996604 436808616 /nfs/dbraw/zinc/80/86/16/436808616.db2.gz PEBMDKPUGKNSRM-ZDUSSCGKSA-N 1 2 347.400 0.732 20 30 ECEDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000155996604 436808618 /nfs/dbraw/zinc/80/86/18/436808618.db2.gz PEBMDKPUGKNSRM-ZDUSSCGKSA-N 1 2 347.400 0.732 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000155996470 436809088 /nfs/dbraw/zinc/80/90/88/436809088.db2.gz PEBMDKPUGKNSRM-CYBMUJFWSA-N 1 2 347.400 0.732 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000155996470 436809089 /nfs/dbraw/zinc/80/90/89/436809089.db2.gz PEBMDKPUGKNSRM-CYBMUJFWSA-N 1 2 347.400 0.732 20 30 ECEDLO C=C(C)CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000156604126 436818234 /nfs/dbraw/zinc/81/82/34/436818234.db2.gz GQIPIAUFBRDXTN-UHFFFAOYSA-N 1 2 346.435 0.721 20 30 ECEDLO C=C(C)CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000156604126 436818235 /nfs/dbraw/zinc/81/82/35/436818235.db2.gz GQIPIAUFBRDXTN-UHFFFAOYSA-N 1 2 346.435 0.721 20 30 ECEDLO C#CCNC(=O)c1ccccc1NCC(=O)N1CC[NH+](CC#C)CC1 ZINC000154783658 436785709 /nfs/dbraw/zinc/78/57/09/436785709.db2.gz IXHXGWVYUNSRRD-UHFFFAOYSA-N 1 2 338.411 0.239 20 30 ECEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC000246839567 436786309 /nfs/dbraw/zinc/78/63/09/436786309.db2.gz RWDILRWYMDUBAT-OCCSQVGLSA-N 1 2 328.372 0.120 20 30 ECEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC000246839567 436786311 /nfs/dbraw/zinc/78/63/11/436786311.db2.gz RWDILRWYMDUBAT-OCCSQVGLSA-N 1 2 328.372 0.120 20 30 ECEDLO N#CC1(CS(=O)(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC000274191267 436804744 /nfs/dbraw/zinc/80/47/44/436804744.db2.gz KWSSZRULMNPPAH-UHFFFAOYSA-N 1 2 336.417 0.641 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C(C)C)on2)CC1 ZINC000163489555 436924503 /nfs/dbraw/zinc/92/45/03/436924503.db2.gz YLVSXVYCYQMIRR-UHFFFAOYSA-N 1 2 332.404 0.695 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C(C)C)on2)CC1 ZINC000163489555 436924507 /nfs/dbraw/zinc/92/45/07/436924507.db2.gz YLVSXVYCYQMIRR-UHFFFAOYSA-N 1 2 332.404 0.695 20 30 ECEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000134300151 436893779 /nfs/dbraw/zinc/89/37/79/436893779.db2.gz MKWABHULGQPFCG-QWHCGFSZSA-N 1 2 330.454 0.149 20 30 ECEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000134300151 436893782 /nfs/dbraw/zinc/89/37/82/436893782.db2.gz MKWABHULGQPFCG-QWHCGFSZSA-N 1 2 330.454 0.149 20 30 ECEDLO CN(C(=O)C[N@@H+]1CCc2n[nH]c(=O)cc2C1)C1(C#N)CCCCC1 ZINC000274971905 436902738 /nfs/dbraw/zinc/90/27/38/436902738.db2.gz KREODTZLWMITRY-UHFFFAOYSA-N 1 2 329.404 0.813 20 30 ECEDLO CN(C(=O)C[N@H+]1CCc2n[nH]c(=O)cc2C1)C1(C#N)CCCCC1 ZINC000274971905 436902742 /nfs/dbraw/zinc/90/27/42/436902742.db2.gz KREODTZLWMITRY-UHFFFAOYSA-N 1 2 329.404 0.813 20 30 ECEDLO CCc1ccc(C#CC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000295122179 436963353 /nfs/dbraw/zinc/96/33/53/436963353.db2.gz ZMCHLVMGADLJNQ-GOSISDBHSA-N 1 2 330.428 0.752 20 30 ECEDLO C=CCN1CC[C@H]([NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)C1=O ZINC000281428700 436968962 /nfs/dbraw/zinc/96/89/62/436968962.db2.gz SEIOFNSVUDPUOQ-WDEREUQCSA-N 1 2 331.380 0.928 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@H](C(=O)OC)[C@H](C)CC)C1=O ZINC000281449025 436970782 /nfs/dbraw/zinc/97/07/82/436970782.db2.gz UNABWFRJEGKCJU-IPYPFGDCSA-N 1 2 339.436 0.409 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@H](C(=O)OC)[C@H](C)CC)C1=O ZINC000281449025 436970783 /nfs/dbraw/zinc/97/07/83/436970783.db2.gz UNABWFRJEGKCJU-IPYPFGDCSA-N 1 2 339.436 0.409 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2CCC(C(=O)OC)CC2)C1=O ZINC000281491293 436975250 /nfs/dbraw/zinc/97/52/50/436975250.db2.gz XKJNEIFFSICMJG-AWEZNQCLSA-N 1 2 337.420 0.117 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N2CCC(C(=O)OC)CC2)C1=O ZINC000281491293 436975253 /nfs/dbraw/zinc/97/52/53/436975253.db2.gz XKJNEIFFSICMJG-AWEZNQCLSA-N 1 2 337.420 0.117 20 30 ECEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000275523733 436979943 /nfs/dbraw/zinc/97/99/43/436979943.db2.gz JIVBIKYSTBFEGQ-HOCLYGCPSA-N 1 2 331.372 0.885 20 30 ECEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000275523733 436979945 /nfs/dbraw/zinc/97/99/45/436979945.db2.gz JIVBIKYSTBFEGQ-HOCLYGCPSA-N 1 2 331.372 0.885 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2ccccc2O)CC1 ZINC000170899094 436960995 /nfs/dbraw/zinc/96/09/95/436960995.db2.gz TWFIVCWRAWQLJB-UHFFFAOYSA-N 1 2 343.427 0.609 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2ccccc2O)CC1 ZINC000170899094 436960998 /nfs/dbraw/zinc/96/09/98/436960998.db2.gz TWFIVCWRAWQLJB-UHFFFAOYSA-N 1 2 343.427 0.609 20 30 ECEDLO C=CCn1c(C)nnc1N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000282571200 437015861 /nfs/dbraw/zinc/01/58/61/437015861.db2.gz KNBNFXQWURCADE-UHFFFAOYSA-N 1 2 332.452 0.907 20 30 ECEDLO CN(CC[NH+]1CCOCC1)C(=O)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000297861234 437019895 /nfs/dbraw/zinc/01/98/95/437019895.db2.gz MYCVFCLCWXLDGV-UHFFFAOYSA-N 1 2 344.415 0.307 20 30 ECEDLO CS(=O)(=O)N(CCO[NH+]=C(N)[C@@H]1CCCO1)Cc1ccccc1 ZINC000283899880 437032820 /nfs/dbraw/zinc/03/28/20/437032820.db2.gz DFTFVTXDCMINGC-AWEZNQCLSA-N 1 2 341.433 0.916 20 30 ECEDLO C=CCN1CC[C@@H](N2CC[N@H+]([C@@H]3CCN(CC=C)C3=O)C[C@@H]2C)C1=O ZINC000281912229 437004987 /nfs/dbraw/zinc/00/49/87/437004987.db2.gz GONGTOQKEQAVPD-GVDBMIGSSA-N 1 2 346.475 0.566 20 30 ECEDLO C=CCN1CC[C@@H](N2CC[N@@H+]([C@@H]3CCN(CC=C)C3=O)C[C@@H]2C)C1=O ZINC000281912229 437004990 /nfs/dbraw/zinc/00/49/90/437004990.db2.gz GONGTOQKEQAVPD-GVDBMIGSSA-N 1 2 346.475 0.566 20 30 ECEDLO C=CCN1CC[C@@H](N2CC[N@H+]([C@@H]3CCN(CC=C)C3=O)[C@@H](C)C2)C1=O ZINC000281912229 437004992 /nfs/dbraw/zinc/00/49/92/437004992.db2.gz GONGTOQKEQAVPD-GVDBMIGSSA-N 1 2 346.475 0.566 20 30 ECEDLO C=CCN1CC[C@@H](N2CC[N@@H+]([C@@H]3CCN(CC=C)C3=O)[C@@H](C)C2)C1=O ZINC000281912229 437004995 /nfs/dbraw/zinc/00/49/95/437004995.db2.gz GONGTOQKEQAVPD-GVDBMIGSSA-N 1 2 346.475 0.566 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)C1=O ZINC000281963999 437009396 /nfs/dbraw/zinc/00/93/96/437009396.db2.gz KPQINHHLOLGQDR-CQSZACIVSA-N 1 2 329.404 0.089 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN(CC(=O)Nc3cc(C)on3)CC2)C1=O ZINC000281962078 437009457 /nfs/dbraw/zinc/00/94/57/437009457.db2.gz KMQWRHMTGOKANK-CQSZACIVSA-N 1 2 347.419 0.326 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCN(C(=O)c3cccc(O)c3)CC2)C1=O ZINC000282011282 437010431 /nfs/dbraw/zinc/01/04/31/437010431.db2.gz OKSXGWBVEBWSBW-INIZCTEOSA-N 1 2 329.400 0.937 20 30 ECEDLO N#C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CCN1C1CC1 ZINC000373580256 303161947 /nfs/dbraw/zinc/16/19/47/303161947.db2.gz VLPBBQUQRPCNJD-IAGOWNOFSA-N 1 2 332.448 0.829 20 30 ECEDLO N#C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CCN1C1CC1 ZINC000373580256 303161950 /nfs/dbraw/zinc/16/19/50/303161950.db2.gz VLPBBQUQRPCNJD-IAGOWNOFSA-N 1 2 332.448 0.829 20 30 ECEDLO N#CCSCC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000265364376 437114258 /nfs/dbraw/zinc/11/42/58/437114258.db2.gz UNDLXGQHGMMNAQ-OAHLLOKOSA-N 1 2 349.456 0.827 20 30 ECEDLO N#Cc1ccccc1C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000265397996 437120890 /nfs/dbraw/zinc/12/08/90/437120890.db2.gz XDDRRRXRYKMKEA-CVEARBPZSA-N 1 2 335.429 0.146 20 30 ECEDLO N#Cc1ccccc1C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000265398000 437121323 /nfs/dbraw/zinc/12/13/23/437121323.db2.gz XDDRRRXRYKMKEA-HZPDHXFCSA-N 1 2 335.429 0.146 20 30 ECEDLO N#Cc1cccc([C@@H]2CN(C[C@@H](O)C[NH+]3CCOCC3)CCO2)c1 ZINC000331620466 437131280 /nfs/dbraw/zinc/13/12/80/437131280.db2.gz SCDZWJSHDYUTLH-ROUUACIJSA-N 1 2 331.416 0.625 20 30 ECEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H](O)CN3CCOCC3)CCO2)c1 ZINC000331620466 437131284 /nfs/dbraw/zinc/13/12/84/437131284.db2.gz SCDZWJSHDYUTLH-ROUUACIJSA-N 1 2 331.416 0.625 20 30 ECEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H](O)CN3CCOCC3)CCO2)c1 ZINC000331620466 437131286 /nfs/dbraw/zinc/13/12/86/437131286.db2.gz SCDZWJSHDYUTLH-ROUUACIJSA-N 1 2 331.416 0.625 20 30 ECEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc(C#N)nn2)CC1 ZINC000301838448 437133816 /nfs/dbraw/zinc/13/38/16/437133816.db2.gz NJHMEWUAXHGLCK-AWEZNQCLSA-N 1 2 328.420 0.871 20 30 ECEDLO N#Cc1ccc(C(=O)NCC(=O)NCC2([NH+]3CCOCC3)CC2)cc1 ZINC000277588060 437235198 /nfs/dbraw/zinc/23/51/98/437235198.db2.gz MQOGOIIHALAGIQ-UHFFFAOYSA-N 1 2 342.399 0.269 20 30 ECEDLO C[C@H](Sc1nnnn1C1CC1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000328691543 437252942 /nfs/dbraw/zinc/25/29/42/437252942.db2.gz IVSDUHYZWCZDCT-GXSJLCMTSA-N 1 2 326.426 0.776 20 30 ECEDLO C[C@H](Sc1nnnn1C1CC1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000328691543 437252946 /nfs/dbraw/zinc/25/29/46/437252946.db2.gz IVSDUHYZWCZDCT-GXSJLCMTSA-N 1 2 326.426 0.776 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cn2c(n1)CCCC2 ZINC000328732505 437257704 /nfs/dbraw/zinc/25/77/04/437257704.db2.gz XNAMWFVGJNHILJ-UHFFFAOYSA-N 1 2 331.420 0.907 20 30 ECEDLO C[C@H]1CN(C(=O)Nc2ccn(CCC#N)n2)C[C@H]1[NH+]1CCOCC1 ZINC000333109001 437258878 /nfs/dbraw/zinc/25/88/78/437258878.db2.gz FCHLZUFFVDSTRR-UONOGXRCSA-N 1 2 332.408 0.981 20 30 ECEDLO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328742390 437259981 /nfs/dbraw/zinc/25/99/81/437259981.db2.gz NYPGUTPCLROPED-VXGBXAGGSA-N 1 2 326.422 0.826 20 30 ECEDLO O=C(NC[C@H]1COCCO1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000328803085 437264808 /nfs/dbraw/zinc/26/48/08/437264808.db2.gz BDZVDRHMQKCWKI-AWEZNQCLSA-N 1 2 340.449 0.980 20 30 ECEDLO O=C(NC[C@H]1COCCO1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000328803085 437264812 /nfs/dbraw/zinc/26/48/12/437264812.db2.gz BDZVDRHMQKCWKI-AWEZNQCLSA-N 1 2 340.449 0.980 20 30 ECEDLO C[N@@H+]1CC[C@@H]2OCCN(CCS(=O)(=O)c3cccc(C#N)c3)[C@@H]2C1 ZINC000329040852 437308374 /nfs/dbraw/zinc/30/83/74/437308374.db2.gz SPKVFAXVUYDYSC-SJORKVTESA-N 1 2 349.456 0.737 20 30 ECEDLO C[N@H+]1CC[C@@H]2OCCN(CCS(=O)(=O)c3cccc(C#N)c3)[C@@H]2C1 ZINC000329040852 437308376 /nfs/dbraw/zinc/30/83/76/437308376.db2.gz SPKVFAXVUYDYSC-SJORKVTESA-N 1 2 349.456 0.737 20 30 ECEDLO O=C(Cn1cccnc1=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000329056496 437309835 /nfs/dbraw/zinc/30/98/35/437309835.db2.gz MJDCKOCLXGKECA-HNNXBMFYSA-N 1 2 338.433 0.408 20 30 ECEDLO CC(C)C[C@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)[NH+]1CCOCC1 ZINC000336923662 437313157 /nfs/dbraw/zinc/31/31/57/437313157.db2.gz USJYLFFSZRJHEM-LSDHHAIUSA-N 1 2 346.497 0.659 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCC[NH+]3CCOC(C)(C)C3)C[C@@H]21 ZINC000328877567 437276443 /nfs/dbraw/zinc/27/64/43/437276443.db2.gz KPJUOLUUDWXZDO-LSDHHAIUSA-N 1 2 340.468 0.416 20 30 ECEDLO CN1CCO[C@@H]2CCN(C(=O)NCC[N@@H+]3CCOC(C)(C)C3)C[C@@H]21 ZINC000328877567 437276456 /nfs/dbraw/zinc/27/64/56/437276456.db2.gz KPJUOLUUDWXZDO-LSDHHAIUSA-N 1 2 340.468 0.416 20 30 ECEDLO CN1CCO[C@@H]2CCN(C(=O)NCC[N@H+]3CCOC(C)(C)C3)C[C@@H]21 ZINC000328877567 437276458 /nfs/dbraw/zinc/27/64/58/437276458.db2.gz KPJUOLUUDWXZDO-LSDHHAIUSA-N 1 2 340.468 0.416 20 30 ECEDLO CC(C)[C@H](CNS(=O)(=O)CC1(C#N)CC1)[NH+]1CCN(C)CC1 ZINC000180416630 437288500 /nfs/dbraw/zinc/28/85/00/437288500.db2.gz LJJUQYQPJXFYEB-AWEZNQCLSA-N 1 2 328.482 0.482 20 30 ECEDLO CC(C)C[C@@H](CNS(=O)(=O)CC1(C#N)CC1)[NH+]1CCOCC1 ZINC000180398224 437289147 /nfs/dbraw/zinc/28/91/47/437289147.db2.gz BXRXJPCVUCOOIQ-AWEZNQCLSA-N 1 2 329.466 0.956 20 30 ECEDLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000328999850 437300541 /nfs/dbraw/zinc/30/05/41/437300541.db2.gz GNDQJALXIPILJL-UHTWSYAYSA-N 1 2 337.424 0.255 20 30 ECEDLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000328999850 437300544 /nfs/dbraw/zinc/30/05/44/437300544.db2.gz GNDQJALXIPILJL-UHTWSYAYSA-N 1 2 337.424 0.255 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCC3(O)CCOCC3)C[C@@H]21 ZINC000329397036 437361101 /nfs/dbraw/zinc/36/11/01/437361101.db2.gz XSPLKVQDHWQOQA-UONOGXRCSA-N 1 2 327.425 0.237 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCC3(O)CCOCC3)C[C@@H]21 ZINC000329397036 437361105 /nfs/dbraw/zinc/36/11/05/437361105.db2.gz XSPLKVQDHWQOQA-UONOGXRCSA-N 1 2 327.425 0.237 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCC3(O)CCOCC3)C[C@H]21 ZINC000329397037 437361843 /nfs/dbraw/zinc/36/18/43/437361843.db2.gz XSPLKVQDHWQOQA-ZIAGYGMSSA-N 1 2 327.425 0.237 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCC3(O)CCOCC3)C[C@H]21 ZINC000329397037 437361845 /nfs/dbraw/zinc/36/18/45/437361845.db2.gz XSPLKVQDHWQOQA-ZIAGYGMSSA-N 1 2 327.425 0.237 20 30 ECEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)C1 ZINC000329139108 437324928 /nfs/dbraw/zinc/32/49/28/437324928.db2.gz IUXUBOSOELVQBA-DZGCQCFKSA-N 1 2 338.452 0.754 20 30 ECEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)C1 ZINC000329139108 437324931 /nfs/dbraw/zinc/32/49/31/437324931.db2.gz IUXUBOSOELVQBA-DZGCQCFKSA-N 1 2 338.452 0.754 20 30 ECEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1cnn(C)c1 ZINC000181691980 437327700 /nfs/dbraw/zinc/32/77/00/437327700.db2.gz ZLBPSIFLLAKQRV-HNNXBMFYSA-N 1 2 345.428 0.935 20 30 ECEDLO CC(C)[C@@H](C(=O)N[C@H](C)C[NH+]1CCOCC1)N1CCCS1(=O)=O ZINC000329160840 437328032 /nfs/dbraw/zinc/32/80/32/437328032.db2.gz FAHDNEGUCXZQSR-KGLIPLIRSA-N 1 2 347.481 0.724 20 30 ECEDLO C#CCNC(=O)[C@@H](C)ON=C(N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181852128 437330687 /nfs/dbraw/zinc/33/06/87/437330687.db2.gz ICDQDMWXPYXWFP-GDBMZVCRSA-N 1 2 344.415 0.314 20 30 ECEDLO C#CCNC(=O)[C@@H](C)ON=C(N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181852128 437330689 /nfs/dbraw/zinc/33/06/89/437330689.db2.gz ICDQDMWXPYXWFP-GDBMZVCRSA-N 1 2 344.415 0.314 20 30 ECEDLO CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329192756 437331170 /nfs/dbraw/zinc/33/11/70/437331170.db2.gz RAYZENGFXNFMRV-KKUMJFAQSA-N 1 2 338.452 0.705 20 30 ECEDLO CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329192756 437331174 /nfs/dbraw/zinc/33/11/74/437331174.db2.gz RAYZENGFXNFMRV-KKUMJFAQSA-N 1 2 338.452 0.705 20 30 ECEDLO C=CCN1CC[C@H](N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)C1=O ZINC000337199115 437339856 /nfs/dbraw/zinc/33/98/56/437339856.db2.gz YNEOARVFQLZXKE-HOTGVXAUSA-N 1 2 334.464 0.402 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCN([C@@H](C)C(=O)N3CCCC3)CC2)C1=O ZINC000337199115 437339859 /nfs/dbraw/zinc/33/98/59/437339859.db2.gz YNEOARVFQLZXKE-HOTGVXAUSA-N 1 2 334.464 0.402 20 30 ECEDLO C[C@]1(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCOC1 ZINC000329715183 437403641 /nfs/dbraw/zinc/40/36/41/437403641.db2.gz UPWJWOAIQPVANH-YOEHRIQHSA-N 1 2 339.436 0.693 20 30 ECEDLO C[C@H](C#N)CN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000338306747 437405384 /nfs/dbraw/zinc/40/53/84/437405384.db2.gz 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CCN1CCN(CC(=O)NCC(=O)N2CCCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329901471 437430029 /nfs/dbraw/zinc/43/00/29/437430029.db2.gz GYPDSCQNBYYXHF-AWEZNQCLSA-N 1 2 348.451 0.667 20 30 ECEDLO C[C@@H]1CN(C(=O)NCC[NH+]2CCSCC2)C[C@@H](C)S1(=O)=O ZINC000329543014 437382263 /nfs/dbraw/zinc/38/22/63/437382263.db2.gz FBWJKTJPTIEJAK-VXGBXAGGSA-N 1 2 335.495 0.457 20 30 ECEDLO C=CCn1c([C@H]2COCCO2)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000337858038 437382297 /nfs/dbraw/zinc/38/22/97/437382297.db2.gz MEJJFDWHHSDFQL-LSDHHAIUSA-N 1 2 349.435 0.463 20 30 ECEDLO Cn1nc(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)[nH]c1=O ZINC000329576763 437386061 /nfs/dbraw/zinc/38/60/61/437386061.db2.gz KCRPFJBSOQCNAD-LBPRGKRZSA-N 1 2 334.355 0.848 20 30 ECEDLO Cn1nc(C[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)[nH]c1=O ZINC000329576763 437386063 /nfs/dbraw/zinc/38/60/63/437386063.db2.gz KCRPFJBSOQCNAD-LBPRGKRZSA-N 1 2 334.355 0.848 20 30 ECEDLO Cc1nc(N2CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC2)cc[nH+]1 ZINC000183787668 437390665 /nfs/dbraw/zinc/39/06/65/437390665.db2.gz JOAFYIKJXKUAKT-KRWDZBQOSA-N 1 2 330.436 0.962 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000183805592 437390854 /nfs/dbraw/zinc/39/08/54/437390854.db2.gz CJWXBMDODYQRQF-AWEZNQCLSA-N 1 2 330.436 0.915 20 30 ECEDLO COCc1nc(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cs1 ZINC000329607200 437391256 /nfs/dbraw/zinc/39/12/56/437391256.db2.gz CHSSTROIYNTYIY-NEPJUHHUSA-N 1 2 326.422 0.718 20 30 ECEDLO COCc1nc(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cs1 ZINC000329607200 437391260 /nfs/dbraw/zinc/39/12/60/437391260.db2.gz CHSSTROIYNTYIY-NEPJUHHUSA-N 1 2 326.422 0.718 20 30 ECEDLO Cn1ccnc1[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CCN1C ZINC000329639524 437395114 /nfs/dbraw/zinc/39/51/14/437395114.db2.gz ZIELQEATMOYRLZ-DOMZBBRYSA-N 1 2 343.435 0.903 20 30 ECEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000329638389 437395768 /nfs/dbraw/zinc/39/57/68/437395768.db2.gz WCNAYEVYLGLELN-CHWSQXEVSA-N 1 2 330.392 0.779 20 30 ECEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000329638389 437395770 /nfs/dbraw/zinc/39/57/70/437395770.db2.gz WCNAYEVYLGLELN-CHWSQXEVSA-N 1 2 330.392 0.779 20 30 ECEDLO C[C@]1(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCOC1 ZINC000329652295 437397505 /nfs/dbraw/zinc/39/75/05/437397505.db2.gz DGOQZXLXBGSXJN-CJNGLKHVSA-N 1 2 325.409 0.303 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NC3CCN(c4cccnn4)CC3)C[C@@H]21 ZINC000329666434 437398353 /nfs/dbraw/zinc/39/83/53/437398353.db2.gz QFTZHBWAXJHZPE-LSDHHAIUSA-N 1 2 346.435 0.374 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NC3CCN(c4cccnn4)CC3)C[C@@H]21 ZINC000329666434 437398355 /nfs/dbraw/zinc/39/83/55/437398355.db2.gz QFTZHBWAXJHZPE-LSDHHAIUSA-N 1 2 346.435 0.374 20 30 ECEDLO O=C(NC[C@@H]1CCCS(=O)(=O)C1)N1CC[NH+](CC2CC2)CC1 ZINC000329689621 437402477 /nfs/dbraw/zinc/40/24/77/437402477.db2.gz BHJYFKQAPLDCPO-AWEZNQCLSA-N 1 2 329.466 0.753 20 30 ECEDLO CNS(=O)(=O)C1CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000339498374 437470027 /nfs/dbraw/zinc/47/00/27/437470027.db2.gz QVYIFTTYWZTADV-DOMZBBRYSA-N 1 2 344.481 0.443 20 30 ECEDLO CCNC(=O)N1CC[C@H](NC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000330263664 437476054 /nfs/dbraw/zinc/47/60/54/437476054.db2.gz WVFHEYGYZIIHHU-ZDUSSCGKSA-N 1 2 339.440 0.363 20 30 ECEDLO C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)[C@H](C)[NH+]1CCOCC1 ZINC000290340853 437478616 /nfs/dbraw/zinc/47/86/16/437478616.db2.gz XPMSZNUVUIDTAR-NEPJUHHUSA-N 1 2 348.378 0.861 20 30 ECEDLO CC(C)[C@H](CNS(=O)(=O)c1cncc(C#N)c1)[NH+]1CCOCC1 ZINC000289678063 437432944 /nfs/dbraw/zinc/43/29/44/437432944.db2.gz GGSFDAVIXVYDQX-HNNXBMFYSA-N 1 2 338.433 0.588 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CC(=O)N([C@H](C)C2CC2)C2CC2)CC1 ZINC000339029319 437435366 /nfs/dbraw/zinc/43/53/66/437435366.db2.gz MTJVKPVDJHFQIK-OAHLLOKOSA-N 1 2 348.491 0.696 20 30 ECEDLO C[C@H](CC[NH+]1CCN(C)CC1)[NH+]=C([O-])N[C@H]1CCc2c[nH]nc2C1 ZINC000329982175 437440664 /nfs/dbraw/zinc/44/06/64/437440664.db2.gz OQAPHIJRKGIHAG-HIFRSBDPSA-N 1 2 334.468 0.797 20 30 ECEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)C1 ZINC000330063803 437450920 /nfs/dbraw/zinc/45/09/20/437450920.db2.gz BTRBHTWPLJBXSI-YSVLISHTSA-N 1 2 339.436 0.834 20 30 ECEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)C1 ZINC000330063803 437450921 /nfs/dbraw/zinc/45/09/21/437450921.db2.gz BTRBHTWPLJBXSI-YSVLISHTSA-N 1 2 339.436 0.834 20 30 ECEDLO C#C[C@H](C)NC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000186093057 437461154 /nfs/dbraw/zinc/46/11/54/437461154.db2.gz RGLPLWODLLFZKV-LBPRGKRZSA-N 1 2 329.404 0.604 20 30 ECEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)CC1(O)CCOCC1 ZINC000290091548 437462669 /nfs/dbraw/zinc/46/26/69/437462669.db2.gz XEMBJKOXLLZQGR-UHFFFAOYSA-N 1 2 339.417 0.200 20 30 ECEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)CC1(O)CCOCC1 ZINC000290091548 437462671 /nfs/dbraw/zinc/46/26/71/437462671.db2.gz XEMBJKOXLLZQGR-UHFFFAOYSA-N 1 2 339.417 0.200 20 30 ECEDLO CC(C)[C@@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)[NH+]1CCOCC1 ZINC000330379915 437495753 /nfs/dbraw/zinc/49/57/53/437495753.db2.gz UCDUPHSXIVJJGY-ZIAGYGMSSA-N 1 2 332.470 0.269 20 30 ECEDLO C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@H](S(C)(=O)=O)C2)C[C@@H](C)O1 ZINC000330417684 437504096 /nfs/dbraw/zinc/50/40/96/437504096.db2.gz OQGCUDBRDHHIKG-MCIONIFRSA-N 1 2 347.481 0.519 20 30 ECEDLO N#CCC[N@H+](CCN1CCOCC1)CC1CCS(=O)(=O)CC1 ZINC000339868346 437507569 /nfs/dbraw/zinc/50/75/69/437507569.db2.gz WKSKBWLPVZTVNW-UHFFFAOYSA-N 1 2 329.466 0.359 20 30 ECEDLO N#CCC[N@@H+](CCN1CCOCC1)CC1CCS(=O)(=O)CC1 ZINC000339868346 437507574 /nfs/dbraw/zinc/50/75/74/437507574.db2.gz WKSKBWLPVZTVNW-UHFFFAOYSA-N 1 2 329.466 0.359 20 30 ECEDLO CS(=O)(=O)NCC[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000330368922 437491551 /nfs/dbraw/zinc/49/15/51/437491551.db2.gz UBXDMYIHNYXMSS-UHFFFAOYSA-N 1 2 326.397 0.369 20 30 ECEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1csc(S(N)(=O)=O)c1 ZINC000330620358 437571836 /nfs/dbraw/zinc/57/18/36/437571836.db2.gz JWHPFGQFRWXAPB-SECBINFHSA-N 1 2 333.435 0.421 20 30 ECEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1csc(S(N)(=O)=O)c1 ZINC000330620358 437571840 /nfs/dbraw/zinc/57/18/40/437571840.db2.gz JWHPFGQFRWXAPB-SECBINFHSA-N 1 2 333.435 0.421 20 30 ECEDLO Cc1nc(C)n(C[C@H]2C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO2)n1 ZINC000330665102 437582989 /nfs/dbraw/zinc/58/29/89/437582989.db2.gz VBYXVRRKABSGNV-SWLSCSKDSA-N 1 2 334.424 0.356 20 30 ECEDLO Cc1nc(C)n(C[C@H]2C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CCO2)n1 ZINC000330665102 437582992 /nfs/dbraw/zinc/58/29/92/437582992.db2.gz VBYXVRRKABSGNV-SWLSCSKDSA-N 1 2 334.424 0.356 20 30 ECEDLO C#CC[NH+]1CCN(CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)CC1 ZINC000190513321 437628652 /nfs/dbraw/zinc/62/86/52/437628652.db2.gz CXUOMQZBQZDBHD-QGZVFWFLSA-N 1 2 325.412 0.813 20 30 ECEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cc1c(F)cccc1C#N ZINC000354522877 437630675 /nfs/dbraw/zinc/63/06/75/437630675.db2.gz VHDGPCOERXOXOQ-AWEZNQCLSA-N 1 2 330.319 0.863 20 30 ECEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cc1c(F)cccc1C#N ZINC000354522877 437630679 /nfs/dbraw/zinc/63/06/79/437630679.db2.gz VHDGPCOERXOXOQ-AWEZNQCLSA-N 1 2 330.319 0.863 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000330854029 437633674 /nfs/dbraw/zinc/63/36/74/437633674.db2.gz HAGVTMRVGYWFHJ-UMVBOHGHSA-N 1 2 329.466 0.796 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000330854029 437633678 /nfs/dbraw/zinc/63/36/78/437633678.db2.gz HAGVTMRVGYWFHJ-UMVBOHGHSA-N 1 2 329.466 0.796 20 30 ECEDLO C=C[C@@H](CO)NC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000354665026 437645174 /nfs/dbraw/zinc/64/51/74/437645174.db2.gz DOZUFUAXZNWEDY-ZFWWWQNUSA-N 1 2 347.415 0.681 20 30 ECEDLO COC(=O)[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000330900434 437645578 /nfs/dbraw/zinc/64/55/78/437645578.db2.gz WKRITRZRNGXNEM-CYBMUJFWSA-N 1 2 327.425 0.896 20 30 ECEDLO COC(=O)[C@@H]1CCCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000330900434 437645582 /nfs/dbraw/zinc/64/55/82/437645582.db2.gz WKRITRZRNGXNEM-CYBMUJFWSA-N 1 2 327.425 0.896 20 30 ECEDLO Cc1ncc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1C#N ZINC000331165819 437705015 /nfs/dbraw/zinc/70/50/15/437705015.db2.gz SKCSJPXCOONABW-LBPRGKRZSA-N 1 2 338.433 0.508 20 30 ECEDLO C[C@H](NC(=O)N1CCC[C@H](OCCO)C1)[C@H](C)[NH+]1CCOCC1 ZINC000331218268 437720445 /nfs/dbraw/zinc/72/04/45/437720445.db2.gz HCRRAAVKROUNHY-KKUMJFAQSA-N 1 2 329.441 0.483 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H](O)Cc1ccccc1 ZINC000355462831 437711957 /nfs/dbraw/zinc/71/19/57/437711957.db2.gz YIKIPKFAWHNSHU-KRWDZBQOSA-N 1 2 331.416 0.664 20 30 ECEDLO CCS(=O)(=O)C[C@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000331229722 437721551 /nfs/dbraw/zinc/72/15/51/437721551.db2.gz PHASHCTWNDELQU-STQMWFEESA-N 1 2 349.497 0.501 20 30 ECEDLO CCS(=O)(=O)C[C@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000331229722 437721555 /nfs/dbraw/zinc/72/15/55/437721555.db2.gz PHASHCTWNDELQU-STQMWFEESA-N 1 2 349.497 0.501 20 30 ECEDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)N(C)CCO)CC1 ZINC000331279943 437732641 /nfs/dbraw/zinc/73/26/41/437732641.db2.gz BHPPAQTUFVMSAL-UHFFFAOYSA-N 1 2 334.420 0.820 20 30 ECEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000364607830 437818552 /nfs/dbraw/zinc/81/85/52/437818552.db2.gz PFOSJXOBLYFVPL-YPMHNXCESA-N 1 2 337.401 0.947 20 30 ECEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000364607830 437818555 /nfs/dbraw/zinc/81/85/55/437818555.db2.gz PFOSJXOBLYFVPL-YPMHNXCESA-N 1 2 337.401 0.947 20 30 ECEDLO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)c(SC)[nH]c2=O)C1 ZINC000341277229 437824722 /nfs/dbraw/zinc/82/47/22/437824722.db2.gz FIYPKJDNSWTUER-NSHDSACASA-N 1 2 336.417 0.831 20 30 ECEDLO COCC[N@H+]1CC[C@H](NC(=O)c2cc(C#N)c(SC)[nH]c2=O)C1 ZINC000341277229 437824727 /nfs/dbraw/zinc/82/47/27/437824727.db2.gz FIYPKJDNSWTUER-NSHDSACASA-N 1 2 336.417 0.831 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccccc2)C1 ZINC000363493400 437795000 /nfs/dbraw/zinc/79/50/00/437795000.db2.gz PFBJEFBOAFUZHU-CQSZACIVSA-N 1 2 337.445 0.732 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccccc2)C1 ZINC000363493400 437795005 /nfs/dbraw/zinc/79/50/05/437795005.db2.gz PFBJEFBOAFUZHU-CQSZACIVSA-N 1 2 337.445 0.732 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000370999440 437867168 /nfs/dbraw/zinc/86/71/68/437867168.db2.gz QQHPDMHLOGQDFK-SMDDNHRTSA-N 1 2 336.417 0.509 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000370999440 437867173 /nfs/dbraw/zinc/86/71/73/437867173.db2.gz QQHPDMHLOGQDFK-SMDDNHRTSA-N 1 2 336.417 0.509 20 30 ECEDLO C=C[C@H](CO)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000356877842 437852747 /nfs/dbraw/zinc/85/27/47/437852747.db2.gz VUORPONJBGADHF-HIFRSBDPSA-N 1 2 334.420 0.680 20 30 ECEDLO C=C[C@H](CO)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000356877842 437852752 /nfs/dbraw/zinc/85/27/52/437852752.db2.gz VUORPONJBGADHF-HIFRSBDPSA-N 1 2 334.420 0.680 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000370872057 437853319 /nfs/dbraw/zinc/85/33/19/437853319.db2.gz PTFZFGPGWRFTTL-CQSZACIVSA-N 1 2 335.452 0.163 20 30 ECEDLO CCC[C@H]1C(=O)NCCN1CC#CC[N@@H+]1CCNC(=O)[C@@H]1CCC ZINC000341902990 437922355 /nfs/dbraw/zinc/92/23/55/437922355.db2.gz GLLMVCYLOSBBIJ-HOTGVXAUSA-N 1 2 334.464 0.191 20 30 ECEDLO CCC[C@H]1C(=O)NCCN1CC#CC[N@H+]1CCNC(=O)[C@@H]1CCC ZINC000341902990 437922360 /nfs/dbraw/zinc/92/23/60/437922360.db2.gz GLLMVCYLOSBBIJ-HOTGVXAUSA-N 1 2 334.464 0.191 20 30 ECEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416662929 437984157 /nfs/dbraw/zinc/98/41/57/437984157.db2.gz LDXNXXVQKGIUDG-ZIAGYGMSSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000416662929 437984164 /nfs/dbraw/zinc/98/41/64/437984164.db2.gz LDXNXXVQKGIUDG-ZIAGYGMSSA-N 1 2 337.445 0.942 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000342257998 437990011 /nfs/dbraw/zinc/99/00/11/437990011.db2.gz DKXXJNAHSIJGIU-AWEZNQCLSA-N 1 2 334.420 0.846 20 30 ECEDLO C=CC[C@@H](CO)NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000371801867 437992929 /nfs/dbraw/zinc/99/29/29/437992929.db2.gz IEIYVWJNAJULDW-ZFWWWQNUSA-N 1 2 329.466 0.431 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000366583557 438098085 /nfs/dbraw/zinc/09/80/85/438098085.db2.gz WCDHEZUMJLTFJW-XEZPLFJOSA-N 1 2 325.409 0.657 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000366583557 438098089 /nfs/dbraw/zinc/09/80/89/438098089.db2.gz WCDHEZUMJLTFJW-XEZPLFJOSA-N 1 2 325.409 0.657 20 30 ECEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000427162670 438077543 /nfs/dbraw/zinc/07/75/43/438077543.db2.gz CCGNKXBLSROADU-GVDBMIGSSA-N 1 2 338.448 0.917 20 30 ECEDLO C=CC[N@@H+](C)CCN(CC)[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000429712779 438105020 /nfs/dbraw/zinc/10/50/20/438105020.db2.gz CEKSHMXOAITWCH-CABCVRRESA-N 1 2 345.509 0.460 20 30 ECEDLO C=CC[N@H+](C)CCN(CC)[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000429712779 438105026 /nfs/dbraw/zinc/10/50/26/438105026.db2.gz CEKSHMXOAITWCH-CABCVRRESA-N 1 2 345.509 0.460 20 30 ECEDLO C=CCN(C)CC[N@@H+](CC)[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000429712779 438105032 /nfs/dbraw/zinc/10/50/32/438105032.db2.gz CEKSHMXOAITWCH-CABCVRRESA-N 1 2 345.509 0.460 20 30 ECEDLO C=CCN(C)CC[N@H+](CC)[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000429712779 438105035 /nfs/dbraw/zinc/10/50/35/438105035.db2.gz CEKSHMXOAITWCH-CABCVRRESA-N 1 2 345.509 0.460 20 30 ECEDLO Cc1nn(C)c(N2CCN(CCC[NH+]3CCOCC3)CC2)c1C#N ZINC000349859158 438184544 /nfs/dbraw/zinc/18/45/44/438184544.db2.gz YQJGWQDPLWOSHA-UHFFFAOYSA-N 1 2 332.452 0.445 20 30 ECEDLO C=CCN1CC[C@@H](N(C)C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1=O ZINC000374051500 438185642 /nfs/dbraw/zinc/18/56/42/438185642.db2.gz NYKWKAUPXATGIB-HZPDHXFCSA-N 1 2 335.448 0.875 20 30 ECEDLO C=CCN1CC[C@@H](N(C)C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1=O ZINC000374051500 438185643 /nfs/dbraw/zinc/18/56/43/438185643.db2.gz NYKWKAUPXATGIB-HZPDHXFCSA-N 1 2 335.448 0.875 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](n3cncn3)C2)cc1 ZINC000375330879 438247445 /nfs/dbraw/zinc/24/74/45/438247445.db2.gz ZVEUWDYKLSIDPX-AWEZNQCLSA-N 1 2 331.401 0.870 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](n3cncn3)C2)cc1 ZINC000375330879 438247448 /nfs/dbraw/zinc/24/74/48/438247448.db2.gz ZVEUWDYKLSIDPX-AWEZNQCLSA-N 1 2 331.401 0.870 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000375508773 438257775 /nfs/dbraw/zinc/25/77/75/438257775.db2.gz CJUSBBOGVHZJDU-GIPNMCIBSA-N 1 2 334.342 0.636 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000375508773 438257778 /nfs/dbraw/zinc/25/77/78/438257778.db2.gz CJUSBBOGVHZJDU-GIPNMCIBSA-N 1 2 334.342 0.636 20 30 ECEDLO CC#CCCCC(=O)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000376947792 438298479 /nfs/dbraw/zinc/29/84/79/438298479.db2.gz JGSQVJUNQXSQAJ-MRXNPFEDSA-N 1 2 335.448 0.619 20 30 ECEDLO C=C[C@H](CO)NC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000359053880 438349784 /nfs/dbraw/zinc/34/97/84/438349784.db2.gz KSIFDJPJIJVASY-VQCLRJIVSA-N 1 2 327.425 0.102 20 30 ECEDLO C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000435585898 438370724 /nfs/dbraw/zinc/37/07/24/438370724.db2.gz WQYVMKAGDONZCX-HUUCEWRRSA-N 1 2 332.466 0.609 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2ccc(=O)[nH]n2)CC1 ZINC000369191745 438437261 /nfs/dbraw/zinc/43/72/61/438437261.db2.gz LPTKTXYDLCGVTJ-AWEZNQCLSA-N 1 2 331.420 0.893 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000368915287 438398521 /nfs/dbraw/zinc/39/85/21/438398521.db2.gz ZOYMBUSPSKFNQP-ZDUSSCGKSA-N 1 2 348.403 0.828 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000368915287 438398524 /nfs/dbraw/zinc/39/85/24/438398524.db2.gz ZOYMBUSPSKFNQP-ZDUSSCGKSA-N 1 2 348.403 0.828 20 30 ECEDLO Cn1ncc2c1nc(N1CCN(c3cc(C#N)ccn3)CC1)[nH+]c2N ZINC000436276860 438405801 /nfs/dbraw/zinc/40/58/01/438405801.db2.gz VQFVLLZVBROEIN-UHFFFAOYSA-N 1 2 335.375 0.539 20 30 ECEDLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CCN2C1=O ZINC000369454176 438477396 /nfs/dbraw/zinc/47/73/96/438477396.db2.gz YKGLPXDADCXAPA-WBMJQRKESA-N 1 2 335.408 0.009 20 30 ECEDLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CCN2C1=O ZINC000369454176 438477399 /nfs/dbraw/zinc/47/73/99/438477399.db2.gz YKGLPXDADCXAPA-WBMJQRKESA-N 1 2 335.408 0.009 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000352617174 438450383 /nfs/dbraw/zinc/45/03/83/438450383.db2.gz MRVHTONHSZYDHR-QLFBSQMISA-N 1 2 344.481 0.508 20 30 ECEDLO COc1cncc(N2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)n1 ZINC000369352350 438458630 /nfs/dbraw/zinc/45/86/30/438458630.db2.gz DSVXSFASIMLTHG-CYBMUJFWSA-N 1 2 332.408 0.368 20 30 ECEDLO CN(C)C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000401981391 438462065 /nfs/dbraw/zinc/46/20/65/438462065.db2.gz RIUFBEVPBQKXCY-HNNXBMFYSA-N 1 2 332.404 0.597 20 30 ECEDLO Cc1ccnc(N2CC[NH+]([C@H](C)C(=O)N3CCOCC3)CC2)c1C#N ZINC000408182561 438530823 /nfs/dbraw/zinc/53/08/23/438530823.db2.gz KURKOFAYALZGMT-OAHLLOKOSA-N 1 2 343.431 0.631 20 30 ECEDLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC1 ZINC000408438688 438573944 /nfs/dbraw/zinc/57/39/44/438573944.db2.gz KFUQSLJMNFGPKY-CQSZACIVSA-N 1 2 329.466 0.789 20 30 ECEDLO Cc1ncc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cc1C#N ZINC000408361345 438560798 /nfs/dbraw/zinc/56/07/98/438560798.db2.gz FKRREFAJPOZIFA-NEPJUHHUSA-N 1 2 338.433 0.337 20 30 ECEDLO Cc1ncc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc1C#N ZINC000408361345 438560800 /nfs/dbraw/zinc/56/08/00/438560800.db2.gz FKRREFAJPOZIFA-NEPJUHHUSA-N 1 2 338.433 0.337 20 30 ECEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2ccc(OC)cn2)CC1 ZINC000452055287 438633236 /nfs/dbraw/zinc/63/32/36/438633236.db2.gz HHNRYNNXRXLFCZ-UHFFFAOYSA-N 1 2 331.420 0.974 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nc(N)nc(Nc2ccccc2OC)n1 ZINC000411797186 438681885 /nfs/dbraw/zinc/68/18/85/438681885.db2.gz WUEPNCHBXVWRDO-YPMHNXCESA-N 1 2 342.403 1.061 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccn(CC(F)(F)F)n2)CC1 ZINC000450215936 438689570 /nfs/dbraw/zinc/68/95/70/438689570.db2.gz LXBHJPYDMAKCJV-UHFFFAOYSA-N 1 2 345.369 0.865 20 30 ECEDLO CC[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2cccc(CC#N)c2)CCO1 ZINC000453741406 438693016 /nfs/dbraw/zinc/69/30/16/438693016.db2.gz OVDRTLBHVDRVNN-INIZCTEOSA-N 1 2 344.415 0.918 20 30 ECEDLO CC[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cccc(CC#N)c2)CCO1 ZINC000453741406 438693019 /nfs/dbraw/zinc/69/30/19/438693019.db2.gz OVDRTLBHVDRVNN-INIZCTEOSA-N 1 2 344.415 0.918 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000451024475 438695875 /nfs/dbraw/zinc/69/58/75/438695875.db2.gz WYDVUYBHPBVGGH-AWEZNQCLSA-N 1 2 329.404 0.775 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000451024475 438695877 /nfs/dbraw/zinc/69/58/77/438695877.db2.gz WYDVUYBHPBVGGH-AWEZNQCLSA-N 1 2 329.404 0.775 20 30 ECEDLO C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O ZINC000414115159 438698944 /nfs/dbraw/zinc/69/89/44/438698944.db2.gz USERAJYISXRFPE-RHSMWYFYSA-N 1 2 348.378 0.799 20 30 ECEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O ZINC000414115159 438698947 /nfs/dbraw/zinc/69/89/47/438698947.db2.gz USERAJYISXRFPE-RHSMWYFYSA-N 1 2 348.378 0.799 20 30 ECEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000454628358 438721897 /nfs/dbraw/zinc/72/18/97/438721897.db2.gz ILCMTLPDKCZHPD-QGZVFWFLSA-N 1 2 345.443 0.936 20 30 ECEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1S(=O)(=O)CC1(CC#N)CC1 ZINC000576671840 438792647 /nfs/dbraw/zinc/79/26/47/438792647.db2.gz IRLYCMDTSROFIP-UONOGXRCSA-N 1 2 327.450 0.805 20 30 ECEDLO Cc1cc(NC(=O)NCC2([NH+]3CCOCC3)CC2)nn1CCC#N ZINC000562422891 438852328 /nfs/dbraw/zinc/85/23/28/438852328.db2.gz BTWSAOVETGZDLL-UHFFFAOYSA-N 1 2 332.408 1.092 20 30 ECEDLO N#CCCN1CCN(C(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000601447439 438898827 /nfs/dbraw/zinc/89/88/27/438898827.db2.gz PKTVDXOXCZVVOU-AWEZNQCLSA-N 1 2 344.419 0.521 20 30 ECEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]1(C#N)CCSC1 ZINC000589308971 438868324 /nfs/dbraw/zinc/86/83/24/438868324.db2.gz BDDSRCUCWNTNOF-CJNGLKHVSA-N 1 2 349.460 0.999 20 30 ECEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]1(C#N)CCSC1 ZINC000589308971 438868327 /nfs/dbraw/zinc/86/83/27/438868327.db2.gz BDDSRCUCWNTNOF-CJNGLKHVSA-N 1 2 349.460 0.999 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000601424373 438888936 /nfs/dbraw/zinc/88/89/36/438888936.db2.gz HWKPOXQZHWAJNO-UONOGXRCSA-N 1 2 330.454 0.119 20 30 ECEDLO CCc1nc(C#N)cc(N2CC[NH+](CC(=O)N3CCCC3)CC2)n1 ZINC000596058864 438918521 /nfs/dbraw/zinc/91/85/21/438918521.db2.gz PHRGIKFSHXDTIC-UHFFFAOYSA-N 1 2 328.420 0.655 20 30 ECEDLO C=C[C@](C)(O)C(=O)NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000601645153 438947863 /nfs/dbraw/zinc/94/78/63/438947863.db2.gz JLOPYRPKCXLGOU-KRWDZBQOSA-N 1 2 336.457 0.804 20 30 ECEDLO N#CCN1CCC(NC(=O)N(CC[NH+]2CCOCC2)CC2CC2)CC1 ZINC000596275035 438949421 /nfs/dbraw/zinc/94/94/21/438949421.db2.gz IYEPSLOCWXUHAB-UHFFFAOYSA-N 1 2 349.479 0.728 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCc2c(cccc2C(=O)OC)C1 ZINC000459532354 438973560 /nfs/dbraw/zinc/97/35/60/438973560.db2.gz DNTQKVNRLLBANW-UHFFFAOYSA-N 1 2 331.372 0.843 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCc2c(cccc2C(=O)OC)C1 ZINC000459532354 438973563 /nfs/dbraw/zinc/97/35/63/438973563.db2.gz DNTQKVNRLLBANW-UHFFFAOYSA-N 1 2 331.372 0.843 20 30 ECEDLO C[C@H](C#N)CNC(=O)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000596552201 438975504 /nfs/dbraw/zinc/97/55/04/438975504.db2.gz SVSCVSOWLHGVSW-CRAIPNDOSA-N 1 2 346.431 0.709 20 30 ECEDLO C[C@H](C#N)CNC(=O)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000596552201 438975509 /nfs/dbraw/zinc/97/55/09/438975509.db2.gz SVSCVSOWLHGVSW-CRAIPNDOSA-N 1 2 346.431 0.709 20 30 ECEDLO CN1C[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)NC1=O ZINC000596656102 438986191 /nfs/dbraw/zinc/98/61/91/438986191.db2.gz DAUJSIKLQMIPLR-OAHLLOKOSA-N 1 2 327.388 0.226 20 30 ECEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CC2(C#N)CCOCC2)CC1 ZINC000596785257 439000416 /nfs/dbraw/zinc/00/04/16/439000416.db2.gz KTIBNKZXMWNGMK-UHFFFAOYSA-N 1 2 336.436 0.367 20 30 ECEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)CC2(C#N)CCOCC2)CC1 ZINC000596785257 439000421 /nfs/dbraw/zinc/00/04/21/439000421.db2.gz KTIBNKZXMWNGMK-UHFFFAOYSA-N 1 2 336.436 0.367 20 30 ECEDLO N#Cc1ccnc(N2CCN(C(=O)[C@H]([NH3+])c3cscn3)CC2)c1 ZINC000519602896 439046102 /nfs/dbraw/zinc/04/61/02/439046102.db2.gz SDFFUXZPXKNKJP-CQSZACIVSA-N 1 2 328.401 0.758 20 30 ECEDLO N#Cc1cccc(CNC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000597184161 439056217 /nfs/dbraw/zinc/05/62/17/439056217.db2.gz LSPMICJKJLJQLE-MRXNPFEDSA-N 1 2 342.399 0.108 20 30 ECEDLO C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1=O ZINC000579550343 439018052 /nfs/dbraw/zinc/01/80/52/439018052.db2.gz ZWDKHEPBRSVYIS-CYBMUJFWSA-N 1 2 341.371 0.518 20 30 ECEDLO CC(C)(CC#N)CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000591560785 439020693 /nfs/dbraw/zinc/02/06/93/439020693.db2.gz JVXSDLGUMCVBJS-AWEZNQCLSA-N 1 2 336.436 0.366 20 30 ECEDLO N#CC1(CNC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCCCC1 ZINC000597320711 439077515 /nfs/dbraw/zinc/07/75/15/439077515.db2.gz SHPIBPDOVIFNQP-CYBMUJFWSA-N 1 2 329.404 0.904 20 30 ECEDLO C=CCCSCCNC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000597361435 439085268 /nfs/dbraw/zinc/08/52/68/439085268.db2.gz QBCZEBSDTOYSTL-UHFFFAOYSA-N 1 2 343.493 0.639 20 30 ECEDLO C=CCCSCCNC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000597361435 439085273 /nfs/dbraw/zinc/08/52/73/439085273.db2.gz QBCZEBSDTOYSTL-UHFFFAOYSA-N 1 2 343.493 0.639 20 30 ECEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000592147713 439167850 /nfs/dbraw/zinc/16/78/50/439167850.db2.gz RNRXZNHSPAHPNU-APWZRJJASA-N 1 2 342.443 0.980 20 30 ECEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000592147713 439167854 /nfs/dbraw/zinc/16/78/54/439167854.db2.gz RNRXZNHSPAHPNU-APWZRJJASA-N 1 2 342.443 0.980 20 30 ECEDLO N#CCc1ccc(CS(=O)(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000592038706 439138464 /nfs/dbraw/zinc/13/84/64/439138464.db2.gz HIYSEYOESIKOAY-QGZVFWFLSA-N 1 2 349.456 0.989 20 30 ECEDLO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602866545 439147043 /nfs/dbraw/zinc/14/70/43/439147043.db2.gz VVIDMTHDOAJCKH-OUAUKWLOSA-N 1 2 349.357 0.681 20 30 ECEDLO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602866545 439147047 /nfs/dbraw/zinc/14/70/47/439147047.db2.gz VVIDMTHDOAJCKH-OUAUKWLOSA-N 1 2 349.357 0.681 20 30 ECEDLO COc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000522523563 439154120 /nfs/dbraw/zinc/15/41/20/439154120.db2.gz AAVDHLRHVJQVNP-LBPRGKRZSA-N 1 2 346.387 0.342 20 30 ECEDLO COc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000522523563 439154123 /nfs/dbraw/zinc/15/41/23/439154123.db2.gz AAVDHLRHVJQVNP-LBPRGKRZSA-N 1 2 346.387 0.342 20 30 ECEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000602910365 439158266 /nfs/dbraw/zinc/15/82/66/439158266.db2.gz XLBDTVARGXSCTL-JKSUJKDBSA-N 1 2 343.387 0.290 20 30 ECEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000602910365 439158274 /nfs/dbraw/zinc/15/82/74/439158274.db2.gz XLBDTVARGXSCTL-JKSUJKDBSA-N 1 2 343.387 0.290 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCCOCC2)c(F)c1 ZINC000525834506 439221277 /nfs/dbraw/zinc/22/12/77/439221277.db2.gz IVTPRKZHUBJYHU-UHFFFAOYSA-N 1 2 327.381 0.698 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NCC[N@H+]2CCCOCC2)c(F)c1 ZINC000525834506 439221281 /nfs/dbraw/zinc/22/12/81/439221281.db2.gz IVTPRKZHUBJYHU-UHFFFAOYSA-N 1 2 327.381 0.698 20 30 ECEDLO C[N@H+](CC(=O)N1CCN(c2cnccn2)CC1)[C@@H]1CCC[C@H]1C#N ZINC000602979932 439175149 /nfs/dbraw/zinc/17/51/49/439175149.db2.gz JFOFKDMIWUSBRE-LSDHHAIUSA-N 1 2 328.420 0.749 20 30 ECEDLO C[N@@H+](CC(=O)N1CCN(c2cnccn2)CC1)[C@@H]1CCC[C@H]1C#N ZINC000602979932 439175152 /nfs/dbraw/zinc/17/51/52/439175152.db2.gz JFOFKDMIWUSBRE-LSDHHAIUSA-N 1 2 328.420 0.749 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)CN1CC[NH+](CCc2cnccn2)CC1 ZINC000602998743 439177899 /nfs/dbraw/zinc/17/78/99/439177899.db2.gz JXQWHKJGWXJAJO-SFHVURJKSA-N 1 2 344.463 0.691 20 30 ECEDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C[C@@H](C)N1CC#N ZINC000603097095 439191779 /nfs/dbraw/zinc/19/17/79/439191779.db2.gz CBHAKPNWWLBSBP-CHWSQXEVSA-N 1 2 325.376 0.721 20 30 ECEDLO Cc1[nH+]c2cc(NC(=O)C(=O)N3CC[C@](O)(CC#N)C3)ccc2n1C ZINC000592301630 439197079 /nfs/dbraw/zinc/19/70/79/439197079.db2.gz MISMUBUVQOITKY-QGZVFWFLSA-N 1 2 341.371 0.697 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 ZINC000567995680 439202705 /nfs/dbraw/zinc/20/27/05/439202705.db2.gz RWHOYDBVFIGXQV-KRWDZBQOSA-N 1 2 340.387 0.545 20 30 ECEDLO C=CCn1cccc1C(=O)N(CC[NH+]1CCOCC1)CC(=O)OC ZINC000488958787 439209392 /nfs/dbraw/zinc/20/93/92/439209392.db2.gz YFDZYGWHCJUKLP-UHFFFAOYSA-N 1 2 335.404 0.622 20 30 ECEDLO C=CCCCS(=O)(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000489098324 439215330 /nfs/dbraw/zinc/21/53/30/439215330.db2.gz HASXWXBUMHJDBN-UHFFFAOYSA-N 1 2 343.493 0.913 20 30 ECEDLO C=CCCCS(=O)(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000489098324 439215335 /nfs/dbraw/zinc/21/53/35/439215335.db2.gz HASXWXBUMHJDBN-UHFFFAOYSA-N 1 2 343.493 0.913 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2nnc3n2CCCC3)nc1 ZINC000568797967 439279276 /nfs/dbraw/zinc/27/92/76/439279276.db2.gz LBIFTISAQLAQBT-UHFFFAOYSA-N 1 2 346.416 0.445 20 30 ECEDLO C[C@@H](C#N)N(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000598129022 439228968 /nfs/dbraw/zinc/22/89/68/439228968.db2.gz FCWSTIBGUMBZJQ-KBPBESRZSA-N 1 2 334.420 0.070 20 30 ECEDLO N#Cc1cccc(N2CCN(S(=O)(=O)CCn3cc[nH+]c3)CC2)n1 ZINC000603306857 439236305 /nfs/dbraw/zinc/23/63/05/439236305.db2.gz BUNUZXBUZNTZDC-UHFFFAOYSA-N 1 2 346.416 0.302 20 30 ECEDLO C=CCCCS(=O)(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000489637174 439238202 /nfs/dbraw/zinc/23/82/02/439238202.db2.gz ZBTYFYWRDNOYKL-CYBMUJFWSA-N 1 2 340.449 0.797 20 30 ECEDLO C[C@H](CC#N)C(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000598362474 439255432 /nfs/dbraw/zinc/25/54/32/439255432.db2.gz ANZCFVCERQBWSB-QAPCUYQASA-N 1 2 331.416 0.916 20 30 ECEDLO C[C@H](CC#N)C(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000598362474 439255439 /nfs/dbraw/zinc/25/54/39/439255439.db2.gz ANZCFVCERQBWSB-QAPCUYQASA-N 1 2 331.416 0.916 20 30 ECEDLO COCCN1CC[N@H+](C[C@@H](O)COc2ccccc2C#N)CC1=O ZINC000528431749 439336965 /nfs/dbraw/zinc/33/69/65/439336965.db2.gz RGQKIOVREGJAEM-OAHLLOKOSA-N 1 2 333.388 0.089 20 30 ECEDLO COCCN1CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)CC1=O ZINC000528431749 439336972 /nfs/dbraw/zinc/33/69/72/439336972.db2.gz RGQKIOVREGJAEM-OAHLLOKOSA-N 1 2 333.388 0.089 20 30 ECEDLO C#CC[N@@H+](CC#CC)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000490690787 439288182 /nfs/dbraw/zinc/28/81/82/439288182.db2.gz UMQHHXJTKIVWRP-UHFFFAOYSA-N 1 2 327.384 0.523 20 30 ECEDLO C#CC[N@H+](CC#CC)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000490690787 439288185 /nfs/dbraw/zinc/28/81/85/439288185.db2.gz UMQHHXJTKIVWRP-UHFFFAOYSA-N 1 2 327.384 0.523 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2ncc(Cl)c(Cl)c2=O)CC1 ZINC000490761948 439295446 /nfs/dbraw/zinc/29/54/46/439295446.db2.gz DBBSIKOEKDMKMD-UHFFFAOYSA-N 1 2 329.187 0.328 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2nnc(-c3cccc(OC)c3)n2)CC1 ZINC000490800956 439301168 /nfs/dbraw/zinc/30/11/68/439301168.db2.gz YNTGYFUWIVVMPS-UHFFFAOYSA-N 1 2 340.387 0.126 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000490865647 439304073 /nfs/dbraw/zinc/30/40/73/439304073.db2.gz FVRIMQDISDHSIE-IKGGRYGDSA-N 1 2 348.491 0.437 20 30 ECEDLO C#CCn1ccc(C[N@H+](CC)C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000491285823 439363336 /nfs/dbraw/zinc/36/33/36/439363336.db2.gz FQQNYPYGLUWTNX-SOLBZPMBSA-N 1 2 334.464 0.808 20 30 ECEDLO C#CCn1ccc(C[N@@H+](CC)C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000491285823 439363341 /nfs/dbraw/zinc/36/33/41/439363341.db2.gz FQQNYPYGLUWTNX-SOLBZPMBSA-N 1 2 334.464 0.808 20 30 ECEDLO N#Cc1ccc(CC(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)cn1 ZINC000528830474 439374587 /nfs/dbraw/zinc/37/45/87/439374587.db2.gz JTBBYTRMJSGWOD-KRWDZBQOSA-N 1 2 344.415 0.445 20 30 ECEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000599196262 439379641 /nfs/dbraw/zinc/37/96/41/439379641.db2.gz XCNNXWAJXSGIOD-OAHLLOKOSA-N 1 2 344.419 0.115 20 30 ECEDLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000599196262 439379648 /nfs/dbraw/zinc/37/96/48/439379648.db2.gz XCNNXWAJXSGIOD-OAHLLOKOSA-N 1 2 344.419 0.115 20 30 ECEDLO C[C@@H](CNS(=O)(=O)c1ccsc1C#N)C[NH+]1CCN(C)CC1 ZINC000593553158 439404344 /nfs/dbraw/zinc/40/43/44/439404344.db2.gz QGRZNFDPNOTVII-LBPRGKRZSA-N 1 2 342.490 0.782 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2SCCCS2)CC1 ZINC000491429996 439382338 /nfs/dbraw/zinc/38/23/38/439382338.db2.gz WVEFOMJMCMIURL-UHFFFAOYSA-N 1 2 341.502 0.466 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2SCCCS2)CC1 ZINC000491429996 439382343 /nfs/dbraw/zinc/38/23/43/439382343.db2.gz WVEFOMJMCMIURL-UHFFFAOYSA-N 1 2 341.502 0.466 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2nc(C3CC3)oc2C)CC1 ZINC000491662851 439422729 /nfs/dbraw/zinc/42/27/29/439422729.db2.gz HQWANFUBHKVDAV-UHFFFAOYSA-N 1 2 344.415 0.758 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2nc(C3CC3)oc2C)CC1 ZINC000491662851 439422731 /nfs/dbraw/zinc/42/27/31/439422731.db2.gz HQWANFUBHKVDAV-UHFFFAOYSA-N 1 2 344.415 0.758 20 30 ECEDLO COC(=O)C[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)CCO1 ZINC000599306186 439425141 /nfs/dbraw/zinc/42/51/41/439425141.db2.gz FPYLFUNIPJXYBT-CABCVRRESA-N 1 2 334.372 0.562 20 30 ECEDLO COC(=O)C[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)CCO1 ZINC000599306186 439425145 /nfs/dbraw/zinc/42/51/45/439425145.db2.gz FPYLFUNIPJXYBT-CABCVRRESA-N 1 2 334.372 0.562 20 30 ECEDLO COC(=O)C[C@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)CCO1 ZINC000599306188 439425826 /nfs/dbraw/zinc/42/58/26/439425826.db2.gz FPYLFUNIPJXYBT-GJZGRUSLSA-N 1 2 334.372 0.562 20 30 ECEDLO COC(=O)C[C@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)CCO1 ZINC000599306188 439425831 /nfs/dbraw/zinc/42/58/31/439425831.db2.gz FPYLFUNIPJXYBT-GJZGRUSLSA-N 1 2 334.372 0.562 20 30 ECEDLO C#CC[N@@H+](C)CC(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OCC ZINC000491704474 439430595 /nfs/dbraw/zinc/43/05/95/439430595.db2.gz BNHZBTFQJZNRAU-UHFFFAOYSA-N 1 2 337.401 0.836 20 30 ECEDLO C#CC[N@H+](C)CC(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OCC ZINC000491704474 439430600 /nfs/dbraw/zinc/43/06/00/439430600.db2.gz BNHZBTFQJZNRAU-UHFFFAOYSA-N 1 2 337.401 0.836 20 30 ECEDLO N#Cc1cc(F)c(S(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c(F)c1 ZINC000593651856 439435096 /nfs/dbraw/zinc/43/50/96/439435096.db2.gz ZASCMMBSJSWFTQ-LLVKDONJSA-N 1 2 343.355 0.276 20 30 ECEDLO N#Cc1cc(F)c(S(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c(F)c1 ZINC000593651856 439435098 /nfs/dbraw/zinc/43/50/98/439435098.db2.gz ZASCMMBSJSWFTQ-LLVKDONJSA-N 1 2 343.355 0.276 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccc(CC#N)cc1 ZINC000570679331 439441591 /nfs/dbraw/zinc/44/15/91/439441591.db2.gz KMKYYXLNANJMOG-QGZVFWFLSA-N 1 2 346.431 0.587 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(C(=O)N(C)C)c2)CC1 ZINC000491765777 439443964 /nfs/dbraw/zinc/44/39/64/439443964.db2.gz FKLWDLXMKMGDCK-UHFFFAOYSA-N 1 2 328.416 0.578 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(OC(=O)NC)c2)CC1 ZINC000491757330 439444493 /nfs/dbraw/zinc/44/44/93/439444493.db2.gz DAOSOVXVEGTJAC-UHFFFAOYSA-N 1 2 330.388 0.594 20 30 ECEDLO C=CCn1cc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)nn1 ZINC000570921009 439460616 /nfs/dbraw/zinc/46/06/16/439460616.db2.gz HVKQUIKBRHUNMH-UHFFFAOYSA-N 1 2 331.401 0.899 20 30 ECEDLO COC(=O)C[C@H]1COCC[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000599418668 439463876 /nfs/dbraw/zinc/46/38/76/439463876.db2.gz JYGNQIIDZZEPSX-LSDHHAIUSA-N 1 2 334.372 0.562 20 30 ECEDLO COC(=O)C[C@H]1COCC[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000599418668 439463883 /nfs/dbraw/zinc/46/38/83/439463883.db2.gz JYGNQIIDZZEPSX-LSDHHAIUSA-N 1 2 334.372 0.562 20 30 ECEDLO N#CC1(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCC1 ZINC000593778438 439465465 /nfs/dbraw/zinc/46/54/65/439465465.db2.gz RQZSKSUJMLRPIZ-OAHLLOKOSA-N 1 2 348.447 0.367 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C(=O)OC)cn1 ZINC000599443987 439470299 /nfs/dbraw/zinc/47/02/99/439470299.db2.gz OIXWNMDMKFODCW-NSHDSACASA-N 1 2 334.376 0.700 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C(=O)OC)cn1 ZINC000599443987 439470305 /nfs/dbraw/zinc/47/03/05/439470305.db2.gz OIXWNMDMKFODCW-NSHDSACASA-N 1 2 334.376 0.700 20 30 ECEDLO CCc1nnc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)s1 ZINC000583560553 439480916 /nfs/dbraw/zinc/48/09/16/439480916.db2.gz SGBYVPYOELRBOR-UHFFFAOYSA-N 1 2 337.430 0.931 20 30 ECEDLO COC(=O)C[N@H+](Cc1cnc2c(C#N)cnn2c1)C1CCOCC1 ZINC000571209162 439483845 /nfs/dbraw/zinc/48/38/45/439483845.db2.gz RAKUWSWHNTVATJ-UHFFFAOYSA-N 1 2 329.360 0.755 20 30 ECEDLO COC(=O)C[N@@H+](Cc1cnc2c(C#N)cnn2c1)C1CCOCC1 ZINC000571209162 439483850 /nfs/dbraw/zinc/48/38/50/439483850.db2.gz RAKUWSWHNTVATJ-UHFFFAOYSA-N 1 2 329.360 0.755 20 30 ECEDLO COCC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H](O)C(F)(F)F ZINC000594017554 439507340 /nfs/dbraw/zinc/50/73/40/439507340.db2.gz HMMLNFYIUMXMPG-YPMHNXCESA-N 1 2 337.342 0.666 20 30 ECEDLO COCC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H](O)C(F)(F)F ZINC000594017554 439507347 /nfs/dbraw/zinc/50/73/47/439507347.db2.gz HMMLNFYIUMXMPG-YPMHNXCESA-N 1 2 337.342 0.666 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCN(c2nncn2C)CC1 ZINC000594026177 439508609 /nfs/dbraw/zinc/50/86/09/439508609.db2.gz FFJOVJZQKGWOHK-CQSZACIVSA-N 1 2 345.451 0.668 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCO[C@@H](CCF)C2)CC1 ZINC000599643371 439524588 /nfs/dbraw/zinc/52/45/88/439524588.db2.gz TVYWJUPUMZGTJN-HOTGVXAUSA-N 1 2 340.443 0.739 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCO[C@@H](CCF)C2)CC1 ZINC000599643371 439524594 /nfs/dbraw/zinc/52/45/94/439524594.db2.gz TVYWJUPUMZGTJN-HOTGVXAUSA-N 1 2 340.443 0.739 20 30 ECEDLO Cc1nnc(N2CC[NH+](CCn3ccccc3=O)CC2)c(C#N)c1C ZINC000608909354 439548346 /nfs/dbraw/zinc/54/83/46/439548346.db2.gz WNRPHQQTLBCUPL-UHFFFAOYSA-N 1 2 338.415 0.949 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1cccc(C#N)n1 ZINC000599798688 439560987 /nfs/dbraw/zinc/56/09/87/439560987.db2.gz KELIHTDAYBLZDL-KRWDZBQOSA-N 1 2 345.403 0.691 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1cccc(C#N)n1 ZINC000599798688 439560992 /nfs/dbraw/zinc/56/09/92/439560992.db2.gz KELIHTDAYBLZDL-KRWDZBQOSA-N 1 2 345.403 0.691 20 30 ECEDLO C[C@H](C#N)CNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000543615603 439562865 /nfs/dbraw/zinc/56/28/65/439562865.db2.gz HARCGXKBRBZFNN-GFCCVEGCSA-N 1 2 330.392 0.750 20 30 ECEDLO C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCC(CC#N)CC1 ZINC000543806358 439563847 /nfs/dbraw/zinc/56/38/47/439563847.db2.gz CWNUIBVBHZCNHT-TZMCWYRMSA-N 1 2 327.450 0.646 20 30 ECEDLO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCO[C@H](C)C2)ncc1C#N ZINC000584730100 439612936 /nfs/dbraw/zinc/61/29/36/439612936.db2.gz OSSAHRNCBCERIV-GFCCVEGCSA-N 1 2 331.376 0.037 20 30 ECEDLO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCO[C@H](C)C2)ncc1C#N ZINC000584730100 439612938 /nfs/dbraw/zinc/61/29/38/439612938.db2.gz OSSAHRNCBCERIV-GFCCVEGCSA-N 1 2 331.376 0.037 20 30 ECEDLO N#Cc1ccsc1NC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595152965 439663188 /nfs/dbraw/zinc/66/31/88/439663188.db2.gz NKRZWDXYCGSXGS-LBPRGKRZSA-N 1 2 334.401 0.491 20 30 ECEDLO CNC(=O)N1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000610989168 439664109 /nfs/dbraw/zinc/66/41/09/439664109.db2.gz QQRPJHRIPLKDRN-HNNXBMFYSA-N 1 2 332.404 0.449 20 30 ECEDLO Cn1cc(C#N)c(NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)n1 ZINC000610563092 439626230 /nfs/dbraw/zinc/62/62/30/439626230.db2.gz RPXJQHKULGBHIQ-UHFFFAOYSA-N 1 2 341.375 0.845 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cc(O)cc(C#N)c1 ZINC000600231232 439626586 /nfs/dbraw/zinc/62/65/86/439626586.db2.gz HPZTYDQBSDZNNY-SFHVURJKSA-N 1 2 345.399 0.609 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cc(O)cc(C#N)c1 ZINC000600231232 439626589 /nfs/dbraw/zinc/62/65/89/439626589.db2.gz HPZTYDQBSDZNNY-SFHVURJKSA-N 1 2 345.399 0.609 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)CN(C)Cc3[nH]cc[nH+]3)CC2)o1 ZINC000595399694 439720950 /nfs/dbraw/zinc/72/09/50/439720950.db2.gz PQPHFIRQGPGOFW-UHFFFAOYSA-N 1 2 343.391 0.358 20 30 ECEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N2CCOC[C@H]2C2CC2)CC1 ZINC000611431822 439696945 /nfs/dbraw/zinc/69/69/45/439696945.db2.gz CDEKHTOUUZRYGC-SJORKVTESA-N 1 2 334.464 0.790 20 30 ECEDLO C[C@]1(C#N)CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000612370898 439697180 /nfs/dbraw/zinc/69/71/80/439697180.db2.gz CVYNPSYETFMJJM-CRAIPNDOSA-N 1 2 348.447 0.319 20 30 ECEDLO C=CCOCCCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000658432241 439938799 /nfs/dbraw/zinc/93/87/99/439938799.db2.gz HQJZITHJNSGPOW-OAHLLOKOSA-N 1 2 339.436 0.019 20 30 ECEDLO C=CC[C@H]1CCCN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000658812144 440130775 /nfs/dbraw/zinc/13/07/75/440130775.db2.gz XICBDOYJDCOHHZ-HOTGVXAUSA-N 1 2 335.448 0.734 20 30 ECEDLO C=C[C@](C)(CCOC)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000628575475 440502612 /nfs/dbraw/zinc/50/26/12/440502612.db2.gz JZOSTKPMUUTCPJ-AEFFLSMTSA-N 1 2 340.464 0.947 20 30 ECEDLO C=C[C@](C)(CCOC)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000628575475 440502619 /nfs/dbraw/zinc/50/26/19/440502619.db2.gz JZOSTKPMUUTCPJ-AEFFLSMTSA-N 1 2 340.464 0.947 20 30 ECEDLO C=CCCn1cc(C[NH2+][C@@H]2CCCN(Cc3nccn3C)C2=O)nn1 ZINC000657433084 441006241 /nfs/dbraw/zinc/00/62/41/441006241.db2.gz UTTLWFQLVORXLL-OAHLLOKOSA-N 1 2 343.435 0.869 20 30 ECEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(S(=O)(=O)NC)cc2)nn1 ZINC000641144277 441063460 /nfs/dbraw/zinc/06/34/60/441063460.db2.gz JZRRNIJAPQHTDG-UHFFFAOYSA-N 1 2 333.417 0.347 20 30 ECEDLO C=CCNS(=O)(=O)c1ccccc1N(C)CC[NH+]1CCOCC1 ZINC000641336526 441097754 /nfs/dbraw/zinc/09/77/54/441097754.db2.gz WCVADUZUJFXGJA-UHFFFAOYSA-N 1 2 339.461 0.919 20 30 ECEDLO CSc1[nH]c(=O)c(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)cc1C#N ZINC000563897628 322352149 /nfs/dbraw/zinc/35/21/49/322352149.db2.gz RSSFWACCCWMPIB-INIZCTEOSA-N 1 2 348.428 0.567 20 30 ECEDLO N#CC1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000057993763 545674089 /nfs/dbraw/zinc/67/40/89/545674089.db2.gz CDTISBKLRRNGMF-UHFFFAOYSA-N 1 2 343.435 0.544 20 30 ECEDLO C[C@H](C(=O)N1CC(O)(CC#N)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000186833688 545896332 /nfs/dbraw/zinc/89/63/32/545896332.db2.gz PCWJOXVMBLEKKB-CQSZACIVSA-N 1 2 346.406 0.823 20 30 ECEDLO O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)N1CCn2cc[nH+]c2C1 ZINC000329462760 546025523 /nfs/dbraw/zinc/02/55/23/546025523.db2.gz TVKAXKBCJHSUPZ-VIFPVBQESA-N 1 2 331.298 0.776 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000438450561 546227236 /nfs/dbraw/zinc/22/72/36/546227236.db2.gz FTTWSKUJVOIJTL-CVEARBPZSA-N 1 2 341.452 0.304 20 30 ECEDLO COCCN(CCC#N)S(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000619709337 546359788 /nfs/dbraw/zinc/35/97/88/546359788.db2.gz HBXXLTYYJMUFCI-AWEZNQCLSA-N 1 2 341.437 0.627 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(-c3cn[nH]c3)n2CC)CC1 ZINC000624894859 546988416 /nfs/dbraw/zinc/98/84/16/546988416.db2.gz OCRSZJYNBGATRG-UHFFFAOYSA-N 1 2 344.423 0.112 20 30 ECEDLO C=C[C@@](C)(O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000667266541 547492266 /nfs/dbraw/zinc/49/22/66/547492266.db2.gz BIOZOLJYKNJXMB-GOSISDBHSA-N 1 2 334.416 0.951 20 30 ECEDLO C=CCOCCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000679531058 549101700 /nfs/dbraw/zinc/10/17/00/549101700.db2.gz PYSBPVLKAOFUMK-UHFFFAOYSA-N 1 2 347.415 0.776 20 30 ECEDLO C=C(C)[C@@H](CO)[NH+]1CCN(S(=O)(=O)N(CCC)CCC)CC1 ZINC000683100642 549459287 /nfs/dbraw/zinc/45/92/87/549459287.db2.gz WLFSXLLAGGEPNJ-OAHLLOKOSA-N 1 2 333.498 0.908 20 30 ECEDLO N#Cc1cccnc1NCCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000750667590 579356487 /nfs/dbraw/zinc/35/64/87/579356487.db2.gz HUEGDJZYKYOVGI-UHFFFAOYSA-N 1 2 334.343 0.771 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)CC2(CC(=O)OC)CC2)CC1 ZINC000752236311 579382143 /nfs/dbraw/zinc/38/21/43/579382143.db2.gz TVRYCKMNJURXAF-UHFFFAOYSA-N 1 2 328.434 0.300 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000755957003 579442553 /nfs/dbraw/zinc/44/25/53/579442553.db2.gz UNGNMVOLFOWYOP-IVZQSRNASA-N 1 2 329.510 0.796 20 30 ECEDLO CCCNC(=O)CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000725792774 578133800 /nfs/dbraw/zinc/13/38/00/578133800.db2.gz PTPRWNGLHXWLOE-UHFFFAOYSA-N 1 2 334.420 0.682 20 30 ECEDLO CCNC(=O)C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000725788785 578133825 /nfs/dbraw/zinc/13/38/25/578133825.db2.gz GZYZVAYPWJFJOI-UHFFFAOYSA-N 1 2 332.364 0.510 20 30 ECEDLO CCNC(=O)C[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000725788785 578133826 /nfs/dbraw/zinc/13/38/26/578133826.db2.gz GZYZVAYPWJFJOI-UHFFFAOYSA-N 1 2 332.364 0.510 20 30 ECEDLO C[C@H]1C[N@H+](CCNC(=O)NCCNc2ncccc2C#N)CCO1 ZINC000726254645 578139824 /nfs/dbraw/zinc/13/98/24/578139824.db2.gz RMRPLHXDJHZGCL-ZDUSSCGKSA-N 1 2 332.408 0.385 20 30 ECEDLO C[C@H]1C[N@@H+](CCNC(=O)NCCNc2ncccc2C#N)CCO1 ZINC000726254645 578139825 /nfs/dbraw/zinc/13/98/25/578139825.db2.gz RMRPLHXDJHZGCL-ZDUSSCGKSA-N 1 2 332.408 0.385 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000728571004 578289799 /nfs/dbraw/zinc/28/97/99/578289799.db2.gz SQPRPAXMIXCVIK-INIZCTEOSA-N 1 2 337.370 0.365 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000728571004 578289800 /nfs/dbraw/zinc/28/98/00/578289800.db2.gz SQPRPAXMIXCVIK-INIZCTEOSA-N 1 2 337.370 0.365 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000732667220 578328549 /nfs/dbraw/zinc/32/85/49/578328549.db2.gz LHENAHVUPUQWSV-MRXNPFEDSA-N 1 2 335.835 0.740 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000732667220 578328550 /nfs/dbraw/zinc/32/85/50/578328550.db2.gz LHENAHVUPUQWSV-MRXNPFEDSA-N 1 2 335.835 0.740 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732786129 578329602 /nfs/dbraw/zinc/32/96/02/578329602.db2.gz BNMSDDSOPJRTTD-NEPJUHHUSA-N 1 2 331.338 0.706 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732786129 578329603 /nfs/dbraw/zinc/32/96/03/578329603.db2.gz BNMSDDSOPJRTTD-NEPJUHHUSA-N 1 2 331.338 0.706 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)nn2CC)CC1 ZINC000733149495 578332860 /nfs/dbraw/zinc/33/28/60/578332860.db2.gz HVCAKJHGAYLTPD-UHFFFAOYSA-N 1 2 331.420 0.109 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)nn2CC)CC1 ZINC000733149495 578332861 /nfs/dbraw/zinc/33/28/61/578332861.db2.gz HVCAKJHGAYLTPD-UHFFFAOYSA-N 1 2 331.420 0.109 20 30 ECEDLO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CCC(C)=C(C)C2)c1=O ZINC000794878243 578600731 /nfs/dbraw/zinc/60/07/31/578600731.db2.gz BGOAINXSHODEEB-UHFFFAOYSA-N 1 2 332.404 0.543 20 30 ECEDLO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CCC(C)=C(C)C2)c1=O ZINC000794878243 578600732 /nfs/dbraw/zinc/60/07/32/578600732.db2.gz BGOAINXSHODEEB-UHFFFAOYSA-N 1 2 332.404 0.543 20 30 ECEDLO C#CCC[C@@H](O)CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000798347971 578644524 /nfs/dbraw/zinc/64/45/24/578644524.db2.gz NLWOMVUVIZOCOP-MSOLQXFVSA-N 1 2 345.443 0.961 20 30 ECEDLO C#CCC[C@@H](O)CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000798347971 578644526 /nfs/dbraw/zinc/64/45/26/578644526.db2.gz NLWOMVUVIZOCOP-MSOLQXFVSA-N 1 2 345.443 0.961 20 30 ECEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000780993432 578704195 /nfs/dbraw/zinc/70/41/95/578704195.db2.gz IOWBJZLYMNWHCM-KBPBESRZSA-N 1 2 328.328 0.215 20 30 ECEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000780993432 578704197 /nfs/dbraw/zinc/70/41/97/578704197.db2.gz IOWBJZLYMNWHCM-KBPBESRZSA-N 1 2 328.328 0.215 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC3(CNC(=O)O3)CC2)c1 ZINC000782004006 578718590 /nfs/dbraw/zinc/71/85/90/578718590.db2.gz LHKOJKUPKQNVLV-UHFFFAOYSA-N 1 2 349.412 0.906 20 30 ECEDLO C#CCSCCNC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000783003789 578737217 /nfs/dbraw/zinc/73/72/17/578737217.db2.gz DEFJMYSBVLGGLS-ZDUSSCGKSA-N 1 2 349.460 0.577 20 30 ECEDLO C#CCSCCNC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000783003785 578737268 /nfs/dbraw/zinc/73/72/68/578737268.db2.gz DEFJMYSBVLGGLS-CYBMUJFWSA-N 1 2 349.460 0.577 20 30 ECEDLO C[NH+]1CCC(C#N)(NC(=O)c2ccc(F)c(S(C)(=O)=O)c2)CC1 ZINC000786110476 578780823 /nfs/dbraw/zinc/78/08/23/578780823.db2.gz CBHBCCNJTXBEBS-UHFFFAOYSA-N 1 2 339.392 0.947 20 30 ECEDLO C=C(Cl)COC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000786992617 578798750 /nfs/dbraw/zinc/79/87/50/578798750.db2.gz HASMEPFCBPVKHB-ZDUSSCGKSA-N 1 2 330.812 0.995 20 30 ECEDLO CC(C)(C#N)CS(=O)(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000787919421 578820769 /nfs/dbraw/zinc/82/07/69/578820769.db2.gz KTMFYEASBNEGHG-UHFFFAOYSA-N 1 2 338.433 0.887 20 30 ECEDLO COCCCNC(=S)N[NH+]=Cc1ccc(N(C)CCOC)nc1 ZINC000790147927 578868813 /nfs/dbraw/zinc/86/88/13/578868813.db2.gz BZKGQIPNCBLNOL-UHFFFAOYSA-N 1 2 339.465 0.999 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCN(c3ccccc3)C(=O)C2)CC1 ZINC000765067551 579061146 /nfs/dbraw/zinc/06/11/46/579061146.db2.gz LMQNBOMUFVTUJU-UHFFFAOYSA-N 1 2 340.427 0.113 20 30 ECEDLO N#Cc1c2c(cn(C[N@H+]3CC[C@H](N4CCCC4=O)C3)c1=O)CCC2 ZINC000766633350 579090330 /nfs/dbraw/zinc/09/03/30/579090330.db2.gz FBMIISOZKXQOJM-AWEZNQCLSA-N 1 2 326.400 0.863 20 30 ECEDLO N#Cc1c2c(cn(C[N@@H+]3CC[C@H](N4CCCC4=O)C3)c1=O)CCC2 ZINC000766633350 579090331 /nfs/dbraw/zinc/09/03/31/579090331.db2.gz FBMIISOZKXQOJM-AWEZNQCLSA-N 1 2 326.400 0.863 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnc(NCC)s2)CC1 ZINC000771012586 579181896 /nfs/dbraw/zinc/18/18/96/579181896.db2.gz NDECAPSCNXVGGM-UHFFFAOYSA-N 1 2 349.460 0.472 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnc(NCC)s2)CC1 ZINC000771012586 579181898 /nfs/dbraw/zinc/18/18/98/579181898.db2.gz NDECAPSCNXVGGM-UHFFFAOYSA-N 1 2 349.460 0.472 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCn1cc[nH+]c1 ZINC000772000788 579198844 /nfs/dbraw/zinc/19/88/44/579198844.db2.gz IDYHVJGYZUNUSG-GFCCVEGCSA-N 1 2 348.384 0.665 20 30 ECEDLO N#Cc1c(F)cccc1S(=O)(=O)N1CC[NH+](CCCO)CC1 ZINC000775583618 579268380 /nfs/dbraw/zinc/26/83/80/579268380.db2.gz FDPFPWCDSTYFGS-UHFFFAOYSA-N 1 2 327.381 0.386 20 30 ECEDLO C#C[C@H]([NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1)[C@H]1CCCO1 ZINC000775784256 579271048 /nfs/dbraw/zinc/27/10/48/579271048.db2.gz HDEWPSYPYDFDKA-LSDHHAIUSA-N 1 2 336.413 0.799 20 30 ECEDLO C#C[C@H]([NH2+]CC(=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O)[C@H]1CCCO1 ZINC000775794379 579271552 /nfs/dbraw/zinc/27/15/52/579271552.db2.gz QHCUETINGMZXRU-WCQYABFASA-N 1 2 348.403 0.140 20 30 ECEDLO C#CCC[NH+]1CCN(CC(=O)N[C@H](Cc2ccccc2)C(C)=O)CC1 ZINC000776592290 579285354 /nfs/dbraw/zinc/28/53/54/579285354.db2.gz DRQQNOFRUMLDCC-LJQANCHMSA-N 1 2 341.455 0.944 20 30 ECEDLO N#CCOc1cccc(CC(=O)N(CCO)CC[NH+]2CCOCC2)c1 ZINC000761981221 579533930 /nfs/dbraw/zinc/53/39/30/579533930.db2.gz FVORJZUBYNDSRD-UHFFFAOYSA-N 1 2 347.415 0.285 20 30 ECEDLO C=C(C)COCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000762068837 579535146 /nfs/dbraw/zinc/53/51/46/579535146.db2.gz ZUXDYBVCFPZPOL-UHFFFAOYSA-N 1 2 347.481 0.387 20 30 ECEDLO CN(C)C(=O)CCN1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000763413168 579559958 /nfs/dbraw/zinc/55/99/58/579559958.db2.gz HJYFMYAXKFPTPU-QGZVFWFLSA-N 1 2 330.432 0.688 20 30 ECEDLO C#CCNC(=O)[C@@H](C)OC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741354209 579772642 /nfs/dbraw/zinc/77/26/42/579772642.db2.gz MPHUISCUKYGVOD-NVXWUHKLSA-N 1 2 344.411 0.959 20 30 ECEDLO C#CCNC(=O)[C@@H](C)OC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741354209 579772643 /nfs/dbraw/zinc/77/26/43/579772643.db2.gz MPHUISCUKYGVOD-NVXWUHKLSA-N 1 2 344.411 0.959 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2c3ccccc3O[C@@H](C)C2=O)CC1 ZINC000744422477 579809303 /nfs/dbraw/zinc/80/93/03/579809303.db2.gz WVKRFQSGCBIQMD-AWEZNQCLSA-N 1 2 327.384 0.578 20 30 ECEDLO C#CCNC(=O)[C@@H](C)OC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000744962791 579816834 /nfs/dbraw/zinc/81/68/34/579816834.db2.gz DCKNSQGNDBFDSG-PBHICJAKSA-N 1 2 344.411 0.866 20 30 ECEDLO C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000746435724 579839185 /nfs/dbraw/zinc/83/91/85/579839185.db2.gz QRUUKTHWJFAJJI-TZMCWYRMSA-N 1 2 341.375 0.651 20 30 ECEDLO C#CC[C@@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cn1)C(=O)OC ZINC000837947510 588966889 /nfs/dbraw/zinc/96/68/89/588966889.db2.gz PIFLLSIEBWDKMI-OAHLLOKOSA-N 1 2 331.372 0.209 20 30 ECEDLO C#CC[C@@H]1NC(=O)N(C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1=O ZINC000842236629 589023822 /nfs/dbraw/zinc/02/38/22/589023822.db2.gz UNTMOUJHLUOXGK-CVEARBPZSA-N 1 2 327.384 0.831 20 30 ECEDLO C#CC[C@@H]1NC(=O)N(C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1=O ZINC000842236629 589023823 /nfs/dbraw/zinc/02/38/23/589023823.db2.gz UNTMOUJHLUOXGK-CVEARBPZSA-N 1 2 327.384 0.831 20 30 ECEDLO C#CCNS(=O)(=O)N1CCN(c2cc(C)[nH+]c(C3CCC3)n2)CC1 ZINC000895060001 586159068 /nfs/dbraw/zinc/15/90/68/586159068.db2.gz ZEOJXMQMPWZBHV-UHFFFAOYSA-N 1 2 349.460 0.642 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)NC)cc2)C1 ZINC000891605328 586181479 /nfs/dbraw/zinc/18/14/79/586181479.db2.gz CTXDTLKBBGWZPX-OAHLLOKOSA-N 1 2 342.399 0.199 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)NC)cc2)C1 ZINC000891605328 586181481 /nfs/dbraw/zinc/18/14/81/586181481.db2.gz CTXDTLKBBGWZPX-OAHLLOKOSA-N 1 2 342.399 0.199 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cnc(C(C)(C)C)nc2)C1 ZINC000891607023 586181582 /nfs/dbraw/zinc/18/15/82/586181582.db2.gz QEAIFEQTEFHCFS-CYBMUJFWSA-N 1 2 343.431 0.926 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cnc(C(C)(C)C)nc2)C1 ZINC000891607023 586181583 /nfs/dbraw/zinc/18/15/83/586181583.db2.gz QEAIFEQTEFHCFS-CYBMUJFWSA-N 1 2 343.431 0.926 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C(=O)OC)cc2)C1 ZINC000891606754 586181596 /nfs/dbraw/zinc/18/15/96/586181596.db2.gz OZPRGPKMXODACT-HNNXBMFYSA-N 1 2 343.383 0.626 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C(=O)OC)cc2)C1 ZINC000891606754 586181597 /nfs/dbraw/zinc/18/15/97/586181597.db2.gz OZPRGPKMXODACT-HNNXBMFYSA-N 1 2 343.383 0.626 20 30 ECEDLO C[N@@H+]1CCOC[C@]1(CO)CNc1cc(C#N)c(Br)cn1 ZINC000895612939 586192585 /nfs/dbraw/zinc/19/25/85/586192585.db2.gz SHUQAZXSVQFXCW-CYBMUJFWSA-N 1 2 341.209 0.821 20 30 ECEDLO C[N@H+]1CCOC[C@]1(CO)CNc1cc(C#N)c(Br)cn1 ZINC000895612939 586192587 /nfs/dbraw/zinc/19/25/87/586192587.db2.gz SHUQAZXSVQFXCW-CYBMUJFWSA-N 1 2 341.209 0.821 20 30 ECEDLO C[C@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896540958 586250192 /nfs/dbraw/zinc/25/01/92/586250192.db2.gz ZDPCOEFBLGBGDL-SUMWQHHRSA-N 1 2 329.448 0.988 20 30 ECEDLO C[C@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)[C@H]1CN(C)CC[N@H+]1C ZINC000896540958 586250193 /nfs/dbraw/zinc/25/01/93/586250193.db2.gz ZDPCOEFBLGBGDL-SUMWQHHRSA-N 1 2 329.448 0.988 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc3oc(=O)oc3c2)CC1 ZINC000893914050 586366660 /nfs/dbraw/zinc/36/66/60/586366660.db2.gz ASJINNLOQQLNFO-UHFFFAOYSA-N 1 2 331.372 0.806 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc3oc(=O)oc3c2)CC1 ZINC000893914050 586366662 /nfs/dbraw/zinc/36/66/62/586366662.db2.gz ASJINNLOQQLNFO-UHFFFAOYSA-N 1 2 331.372 0.806 20 30 ECEDLO C=CCOC[C@H]([NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)C(=O)OC ZINC000894194135 586378576 /nfs/dbraw/zinc/37/85/76/586378576.db2.gz KCGQVQPCROKVBX-JSGCOSHPSA-N 1 2 348.465 0.380 20 30 ECEDLO COc1ccc(CNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)cc1C#N ZINC000866994081 586824062 /nfs/dbraw/zinc/82/40/62/586824062.db2.gz OMRVAGJXEVVJKO-AWEZNQCLSA-N 1 2 339.417 0.317 20 30 ECEDLO COc1ccc(CNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)cc1C#N ZINC000866994081 586824064 /nfs/dbraw/zinc/82/40/64/586824064.db2.gz OMRVAGJXEVVJKO-AWEZNQCLSA-N 1 2 339.417 0.317 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000839138410 586839310 /nfs/dbraw/zinc/83/93/10/586839310.db2.gz PWKLYWVDDOTYGA-CYBMUJFWSA-N 1 2 325.409 0.351 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000839138410 586839313 /nfs/dbraw/zinc/83/93/13/586839313.db2.gz PWKLYWVDDOTYGA-CYBMUJFWSA-N 1 2 325.409 0.351 20 30 ECEDLO C=CC[C@H](NC(=O)C(=O)N(C)CC[NH+]1CCOCC1)c1ccncc1 ZINC000805811749 586940301 /nfs/dbraw/zinc/94/03/01/586940301.db2.gz QDCRJOCCZXSYHR-INIZCTEOSA-N 1 2 346.431 0.606 20 30 ECEDLO C[C@H](OC(=O)c1cc(C#N)cs1)C(=O)NCC[NH+]1CCOCC1 ZINC000805972673 586950130 /nfs/dbraw/zinc/95/01/30/586950130.db2.gz ZQUSTQDMWDSDPI-NSHDSACASA-N 1 2 337.401 0.613 20 30 ECEDLO C=CCOC[C@@H]1NC(=O)N(Cc2cccnc2-n2cc[nH+]c2)C1=O ZINC000804145028 587080000 /nfs/dbraw/zinc/08/00/00/587080000.db2.gz ULUCEEHIKIDODO-ZDUSSCGKSA-N 1 2 327.344 0.890 20 30 ECEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000807284838 587124317 /nfs/dbraw/zinc/12/43/17/587124317.db2.gz QLMFWYOEWGACMB-TZMCWYRMSA-N 1 2 342.355 0.880 20 30 ECEDLO CCOC(=O)[C@@H]1C[N@H+](Cn2ccc(C)c(C#N)c2=O)CC12COC2 ZINC000840101846 587132125 /nfs/dbraw/zinc/13/21/25/587132125.db2.gz WORAOLJZLFOLHP-AWEZNQCLSA-N 1 2 331.372 0.497 20 30 ECEDLO CCOC(=O)[C@@H]1C[N@@H+](Cn2ccc(C)c(C#N)c2=O)CC12COC2 ZINC000840101846 587132126 /nfs/dbraw/zinc/13/21/26/587132126.db2.gz WORAOLJZLFOLHP-AWEZNQCLSA-N 1 2 331.372 0.497 20 30 ECEDLO CN(C)c1c(C=[NH+]Nc2ccc(C#N)cc2)c(=O)n(C)c(=O)n1C ZINC000807963313 587140632 /nfs/dbraw/zinc/14/06/32/587140632.db2.gz QCDIYTJSAGWQOU-UHFFFAOYSA-N 1 2 326.360 0.468 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)[C@H]1CCCO1 ZINC000809312712 587174917 /nfs/dbraw/zinc/17/49/17/587174917.db2.gz NVFMLUPZSUCTSB-HZSPNIEDSA-N 1 2 330.388 0.033 20 30 ECEDLO C#Cc1ccccc1CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000810163744 587191058 /nfs/dbraw/zinc/19/10/58/587191058.db2.gz GUPKHINBTDRMLJ-UHFFFAOYSA-N 1 2 349.438 0.939 20 30 ECEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)n1ncc(C#N)c1N ZINC000810203631 587191373 /nfs/dbraw/zinc/19/13/73/587191373.db2.gz PVKQPPBNNRCDRX-LBPRGKRZSA-N 1 2 329.364 0.474 20 30 ECEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)n1ncc(C#N)c1N ZINC000810203631 587191374 /nfs/dbraw/zinc/19/13/74/587191374.db2.gz PVKQPPBNNRCDRX-LBPRGKRZSA-N 1 2 329.364 0.474 20 30 ECEDLO Oc1cccc2c1CCC2=NNC(=S)NCC[NH+]1CCOCC1 ZINC000812388670 587236717 /nfs/dbraw/zinc/23/67/17/587236717.db2.gz HQXGJCKGZCXWOX-UHFFFAOYSA-N 1 2 334.445 0.839 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2c3ccccc3OC(F)(F)C2=O)CC1 ZINC000814106561 587270364 /nfs/dbraw/zinc/27/03/64/587270364.db2.gz JSPWNZPDQDNICN-UHFFFAOYSA-N 1 2 349.337 0.782 20 30 ECEDLO C#Cc1cccc(CNC(=O)C(=O)N2CC[NH+](CCOCC)CC2)c1 ZINC000817846880 587389211 /nfs/dbraw/zinc/38/92/11/587389211.db2.gz YKDFFTOJAZISIC-UHFFFAOYSA-N 1 2 343.427 0.465 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)CC1 ZINC000825618389 587953420 /nfs/dbraw/zinc/95/34/20/587953420.db2.gz BJTXHWDDBRPBGY-PMPSAXMXSA-N 1 2 333.432 0.482 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)CC1 ZINC000825618389 587953422 /nfs/dbraw/zinc/95/34/22/587953422.db2.gz BJTXHWDDBRPBGY-PMPSAXMXSA-N 1 2 333.432 0.482 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCC[C@@H](CO)[C@H]2C(F)(F)F)CC1 ZINC000828744436 588202368 /nfs/dbraw/zinc/20/23/68/588202368.db2.gz PGQQUXFWIMCYHF-ZFWWWQNUSA-N 1 2 347.381 0.399 20 30 ECEDLO CON=C(C(=O)N1CCN(C)c2[nH+]cccc2C1)c1csc(N)n1 ZINC000831111474 588405944 /nfs/dbraw/zinc/40/59/44/588405944.db2.gz AGERDPRMBUVBIC-UHFFFAOYSA-N 1 2 346.416 0.949 20 30 ECEDLO CCCNC(=O)CN(C)C(=O)C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844366384 589109477 /nfs/dbraw/zinc/10/94/77/589109477.db2.gz ISEXCLICZJAKEX-MRXNPFEDSA-N 1 2 346.431 0.508 20 30 ECEDLO CCCNC(=O)CN(C)C(=O)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844366384 589109478 /nfs/dbraw/zinc/10/94/78/589109478.db2.gz ISEXCLICZJAKEX-MRXNPFEDSA-N 1 2 346.431 0.508 20 30 ECEDLO C=C[C@H](C)ONC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000845632454 589165900 /nfs/dbraw/zinc/16/59/00/589165900.db2.gz AVAIFLFEZONVON-AWEZNQCLSA-N 1 2 347.419 0.926 20 30 ECEDLO CCN1C[C@H](C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)OC1=O ZINC000846815070 589225632 /nfs/dbraw/zinc/22/56/32/589225632.db2.gz IKFVWQOBKWZLKT-CHWSQXEVSA-N 1 2 330.392 0.699 20 30 ECEDLO CCN1C[C@H](C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)OC1=O ZINC000846815070 589225633 /nfs/dbraw/zinc/22/56/33/589225633.db2.gz IKFVWQOBKWZLKT-CHWSQXEVSA-N 1 2 330.392 0.699 20 30 ECEDLO CN1CC[NH+](Cc2ccc(C(=O)N[C@H]3CCCN(O)C3=O)cc2)CC1 ZINC000848136509 589279595 /nfs/dbraw/zinc/27/95/95/589279595.db2.gz NYSGHDNKBWPNTB-INIZCTEOSA-N 1 2 346.431 0.544 20 30 ECEDLO C=CC[N@@H+](CCc1ccc(S(N)(=O)=O)cc1)CC(=O)OCC ZINC000107910603 589314146 /nfs/dbraw/zinc/31/41/46/589314146.db2.gz PKFMMFYATOQQLA-UHFFFAOYSA-N 1 2 326.418 0.928 20 30 ECEDLO C=CC[N@H+](CCc1ccc(S(N)(=O)=O)cc1)CC(=O)OCC ZINC000107910603 589314147 /nfs/dbraw/zinc/31/41/47/589314147.db2.gz PKFMMFYATOQQLA-UHFFFAOYSA-N 1 2 326.418 0.928 20 30 ECEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@@H]2CCC(=O)N2)CC1=O ZINC000849174063 589321832 /nfs/dbraw/zinc/32/18/32/589321832.db2.gz NVFGBPCRLRBZNX-NSHDSACASA-N 1 2 339.399 0.925 20 30 ECEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)C1 ZINC000850662303 589377046 /nfs/dbraw/zinc/37/70/46/589377046.db2.gz FCQNDNLVEGWEBI-DYVFJYSZSA-N 1 2 329.404 0.888 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)C1CCOCC1 ZINC000850688004 589379487 /nfs/dbraw/zinc/37/94/87/589379487.db2.gz MLUCCVODPADRCQ-AWEZNQCLSA-N 1 2 326.356 0.817 20 30 ECEDLO C#CCCN(CCOC)C(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000850710234 589381167 /nfs/dbraw/zinc/38/11/67/589381167.db2.gz VZIJPHOZQHHRMI-UHFFFAOYSA-N 1 2 332.404 0.614 20 30 ECEDLO C#CCCN(CCOC)C(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000850710234 589381168 /nfs/dbraw/zinc/38/11/68/589381168.db2.gz VZIJPHOZQHHRMI-UHFFFAOYSA-N 1 2 332.404 0.614 20 30 ECEDLO C=CC[N@@H+](C[C@@](O)(C(N)=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000851840843 589427830 /nfs/dbraw/zinc/42/78/30/589427830.db2.gz JNCNPMNAOWWFEJ-HOCLYGCPSA-N 1 2 338.429 0.035 20 30 ECEDLO C=CC[N@H+](C[C@@](O)(C(N)=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000851840843 589427831 /nfs/dbraw/zinc/42/78/31/589427831.db2.gz JNCNPMNAOWWFEJ-HOCLYGCPSA-N 1 2 338.429 0.035 20 30 ECEDLO NC(CN1CCOCC1)=[NH+]OCC(=O)NCCc1ccc(F)cc1 ZINC000111182035 589538314 /nfs/dbraw/zinc/53/83/14/589538314.db2.gz RPYJTWZYJMAKFT-UHFFFAOYSA-N 1 2 338.383 0.105 20 30 ECEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCCNc1ncccc1C#N ZINC000853482808 589543725 /nfs/dbraw/zinc/54/37/25/589543725.db2.gz ZIMLSLFAHGVEFQ-KGLIPLIRSA-N 1 2 346.435 0.774 20 30 ECEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCCNc1ncccc1C#N ZINC000853482808 589543726 /nfs/dbraw/zinc/54/37/26/589543726.db2.gz ZIMLSLFAHGVEFQ-KGLIPLIRSA-N 1 2 346.435 0.774 20 30 ECEDLO C=CC[N@H+](CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O)[C@@H](C)COC ZINC000853535618 589546843 /nfs/dbraw/zinc/54/68/43/589546843.db2.gz XOURLIKJCOCAIJ-ZFWWWQNUSA-N 1 2 334.420 0.818 20 30 ECEDLO C=CC[N@@H+](CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O)[C@@H](C)COC ZINC000853535618 589546844 /nfs/dbraw/zinc/54/68/44/589546844.db2.gz XOURLIKJCOCAIJ-ZFWWWQNUSA-N 1 2 334.420 0.818 20 30 ECEDLO Cn1c(CC#N)nn(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)c1=S ZINC000853593720 589550670 /nfs/dbraw/zinc/55/06/70/589550670.db2.gz PGIYOTBNXNUAKZ-LBPRGKRZSA-N 1 2 334.449 0.919 20 30 ECEDLO Cn1c(CC#N)nn(C[N@H+]2CC[C@H](CN3CCCC3=O)C2)c1=S ZINC000853593720 589550671 /nfs/dbraw/zinc/55/06/71/589550671.db2.gz PGIYOTBNXNUAKZ-LBPRGKRZSA-N 1 2 334.449 0.919 20 30 ECEDLO COC(=O)CCN1CCC[C@@H](O[NH+]=C(N)c2ccc(OC)cc2)C1=O ZINC000853654243 589553772 /nfs/dbraw/zinc/55/37/72/589553772.db2.gz FGTHZGNZQIOXBQ-CQSZACIVSA-N 1 2 349.387 0.886 20 30 ECEDLO C#C[C@@H](CC)NC(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000854079789 589570653 /nfs/dbraw/zinc/57/06/53/589570653.db2.gz HGTZUGWZQLCDRF-HKUYNNGSSA-N 1 2 345.443 0.961 20 30 ECEDLO C#C[C@@H](CC)NC(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000854079789 589570654 /nfs/dbraw/zinc/57/06/54/589570654.db2.gz HGTZUGWZQLCDRF-HKUYNNGSSA-N 1 2 345.443 0.961 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(C)(c2nnc(-c3cccnc3)o2)C1 ZINC000854082733 589570773 /nfs/dbraw/zinc/57/07/73/589570773.db2.gz OSNSKKOVNHFMKK-LBPRGKRZSA-N 1 2 325.372 0.843 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2ccc3c(c2)C(=O)N(CC=C)C3=O)CC1 ZINC000112921176 589617789 /nfs/dbraw/zinc/61/77/89/589617789.db2.gz YQJPRSIXRPLEGY-UHFFFAOYSA-N 1 2 337.379 0.860 20 30 ECEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000855496694 589633937 /nfs/dbraw/zinc/63/39/37/589633937.db2.gz XXBDOCFURDDLPB-HNNXBMFYSA-N 1 2 334.420 0.826 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000856418297 589664246 /nfs/dbraw/zinc/66/42/46/589664246.db2.gz GIHCYLBTYBFEGW-AGIUHOORSA-N 1 2 345.365 1.000 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000856418297 589664247 /nfs/dbraw/zinc/66/42/47/589664247.db2.gz GIHCYLBTYBFEGW-AGIUHOORSA-N 1 2 345.365 1.000 20 30 ECEDLO CCc1noc(C[C@@]2(O)CCC[N@H+](CC(=O)NC3(C#N)CCC3)C2)n1 ZINC000856677731 589669883 /nfs/dbraw/zinc/66/98/83/589669883.db2.gz RTAZKQANEBZFRV-KRWDZBQOSA-N 1 2 347.419 0.564 20 30 ECEDLO CCc1noc(C[C@@]2(O)CCC[N@@H+](CC(=O)NC3(C#N)CCC3)C2)n1 ZINC000856677731 589669884 /nfs/dbraw/zinc/66/98/84/589669884.db2.gz RTAZKQANEBZFRV-KRWDZBQOSA-N 1 2 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/nfs/dbraw/zinc/02/15/80/590021580.db2.gz FTJAEAJSOMXKRX-VXGBXAGGSA-N 1 2 332.385 0.459 20 30 ECEDLO C#CCN1C(=O)C[C@@H]([N@@H+]2C[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C2)C1=O ZINC000871602005 590082916 /nfs/dbraw/zinc/08/29/16/590082916.db2.gz OOQHWMUVOLTLNI-GMTAPVOTSA-N 1 2 346.305 0.421 20 30 ECEDLO C#CCN1C(=O)C[C@@H]([N@H+]2C[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C2)C1=O ZINC000871602005 590082918 /nfs/dbraw/zinc/08/29/18/590082918.db2.gz OOQHWMUVOLTLNI-GMTAPVOTSA-N 1 2 346.305 0.421 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1c[nH]c2ncncc12 ZINC000872328747 590114572 /nfs/dbraw/zinc/11/45/72/590114572.db2.gz AZEHPIGVIAZKSY-UHFFFAOYSA-N 1 2 333.421 0.040 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nc(Cl)nc3c2cnn3C)CC1 ZINC000872396681 590115650 /nfs/dbraw/zinc/11/56/50/590115650.db2.gz CKXXZIXBXIJBOI-UHFFFAOYSA-N 1 2 349.826 0.441 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cnc2nccn2c1 ZINC000865070814 590123380 /nfs/dbraw/zinc/12/33/80/590123380.db2.gz XFGDQSWFCKXUKI-UHFFFAOYSA-N 1 2 328.376 0.417 20 30 ECEDLO 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342.403 0.064 20 30 ECEDLO C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@H]1C ZINC000947825541 611709290 /nfs/dbraw/zinc/70/92/90/611709290.db2.gz RYHAWXFJVDOBOR-CHWSQXEVSA-N 1 2 344.419 0.616 20 30 ECEDLO C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@H]1C ZINC000947825541 611709291 /nfs/dbraw/zinc/70/92/91/611709291.db2.gz RYHAWXFJVDOBOR-CHWSQXEVSA-N 1 2 344.419 0.616 20 30 ECEDLO CN(Cc1cc(C#N)cs1)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000910556893 609735076 /nfs/dbraw/zinc/73/50/76/609735076.db2.gz PONWJJQFPPRRIC-UHFFFAOYSA-N 1 2 332.429 0.885 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)nc1 ZINC000938374122 609759246 /nfs/dbraw/zinc/75/92/46/609759246.db2.gz ABPDJBBEDZNESG-HNNXBMFYSA-N 1 2 337.383 0.750 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)nc1 ZINC000938374122 609759248 /nfs/dbraw/zinc/75/92/48/609759248.db2.gz ABPDJBBEDZNESG-HNNXBMFYSA-N 1 2 337.383 0.750 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000938387423 609769196 /nfs/dbraw/zinc/76/91/96/609769196.db2.gz PFYQAQVCYKPEKJ-LBPRGKRZSA-N 1 2 326.360 0.491 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000938778602 609993278 /nfs/dbraw/zinc/99/32/78/609993278.db2.gz OBZVVQAVJNZIRB-CYBMUJFWSA-N 1 2 326.360 0.456 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000938863169 609994372 /nfs/dbraw/zinc/99/43/72/609994372.db2.gz UNTMOHQGHZANBI-ZNMIVQPWSA-N 1 2 332.404 0.651 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000938863169 609994375 /nfs/dbraw/zinc/99/43/75/609994375.db2.gz UNTMOHQGHZANBI-ZNMIVQPWSA-N 1 2 332.404 0.651 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC000938981613 610060114 /nfs/dbraw/zinc/06/01/14/610060114.db2.gz GPTSJGWVCPHZHR-CQSZACIVSA-N 1 2 340.387 0.834 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000940062537 610198779 /nfs/dbraw/zinc/19/87/79/610198779.db2.gz FLXMRYRTFKMXLX-GFCCVEGCSA-N 1 2 326.360 0.193 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000940099301 610208317 /nfs/dbraw/zinc/20/83/17/610208317.db2.gz XAPQIVWKDWTTCE-CYBMUJFWSA-N 1 2 340.387 0.583 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnc4n3[C@@H](C)CCC4)CC2)C1 ZINC000941416592 610304598 /nfs/dbraw/zinc/30/45/98/610304598.db2.gz HNTTXWFATCLBKG-HNNXBMFYSA-N 1 2 341.459 0.856 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ncc(OC)cc3F)CC2)C1 ZINC000941430678 610311876 /nfs/dbraw/zinc/31/18/76/610311876.db2.gz AXYWRAYTCUJUQI-UHFFFAOYSA-N 1 2 332.379 0.305 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccn4c3CCCC4)CC2)C1 ZINC000941437693 610315377 /nfs/dbraw/zinc/31/53/77/610315377.db2.gz BPJJUCPESXVSKO-UHFFFAOYSA-N 1 2 326.444 0.900 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnn(C)c3Cl)CC2)C1 ZINC000941460816 610320488 /nfs/dbraw/zinc/32/04/88/610320488.db2.gz TXVRIDNSTDTRQD-UHFFFAOYSA-N 1 2 335.839 0.539 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3cn4ccccc4n3)CC2)C1 ZINC000941460764 610320510 /nfs/dbraw/zinc/32/05/10/610320510.db2.gz RJLCINCCIIOUGI-UHFFFAOYSA-N 1 2 337.427 0.338 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCn4nccc43)CC2)C1 ZINC000941463493 610321796 /nfs/dbraw/zinc/32/17/96/610321796.db2.gz YSZDZJDQVVMJTQ-INIZCTEOSA-N 1 2 327.432 0.222 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCn4ccnc4C3)CC2)C1 ZINC000941464002 610323485 /nfs/dbraw/zinc/32/34/85/610323485.db2.gz DAZYETQGKFAOTD-INIZCTEOSA-N 1 2 341.459 0.297 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccn(-c4ccccc4)n3)CC2)C1 ZINC000941472372 610330631 /nfs/dbraw/zinc/33/06/31/610330631.db2.gz XMBVACRZIHIZOY-UHFFFAOYSA-N 1 2 349.438 0.948 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000940739745 610351590 /nfs/dbraw/zinc/35/15/90/610351590.db2.gz NKXUFYZKAWBYAQ-OAGGEKHMSA-N 1 2 346.431 0.972 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCN(C2C[NH+]([C@H]3CCCN(C)C3=O)C2)CC1 ZINC000941516447 610353812 /nfs/dbraw/zinc/35/38/12/610353812.db2.gz SKTSSWZPNNHLEI-INIZCTEOSA-N 1 2 348.491 0.648 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)CC2)C1 ZINC000941586999 610397233 /nfs/dbraw/zinc/39/72/33/610397233.db2.gz HVGYOFFBLUWUMR-MRXNPFEDSA-N 1 2 346.475 0.097 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc(C)nc3OC)CC2)C1 ZINC000941596427 610413743 /nfs/dbraw/zinc/41/37/43/610413743.db2.gz GGWPDKPSEGPTFU-UHFFFAOYSA-N 1 2 342.443 0.864 20 30 ECEDLO C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4[nH]cnc4C3)CC2)C1 ZINC000941633012 610419256 /nfs/dbraw/zinc/41/92/56/610419256.db2.gz ZKECYNKDZFGDTG-OAHLLOKOSA-N 1 2 341.459 0.366 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnn(C(C)C)c3)CC2)C1 ZINC000941636108 610421742 /nfs/dbraw/zinc/42/17/42/610421742.db2.gz AURWXFRLCYXWOB-UHFFFAOYSA-N 1 2 329.448 0.929 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cn4ccccc4n3)CC2)C1 ZINC000941657103 610431036 /nfs/dbraw/zinc/43/10/36/610431036.db2.gz SGVATXIOARFOHK-UHFFFAOYSA-N 1 2 337.427 0.800 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](OC)c3ccccc3)CC2)C1 ZINC000941645591 610438711 /nfs/dbraw/zinc/43/87/11/610438711.db2.gz UVFPKJRYYIEIKT-GOSISDBHSA-N 1 2 327.428 0.836 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)Cc3c(C)n[nH]c3C)CC2)C1 ZINC000941670434 610444135 /nfs/dbraw/zinc/44/41/35/610444135.db2.gz RTHVJONFNWFWJL-AWEZNQCLSA-N 1 2 343.475 0.667 20 30 ECEDLO O=C(C#CC1CC1)N1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000941004352 610488728 /nfs/dbraw/zinc/48/87/28/610488728.db2.gz ZCSPUGHOOHAIEQ-MRXNPFEDSA-N 1 2 340.427 0.920 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1OC ZINC000942516697 610496140 /nfs/dbraw/zinc/49/61/40/610496140.db2.gz QEFCRCWGPXGFNJ-QLFBSQMISA-N 1 2 335.448 0.472 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1OC ZINC000942516697 610496142 /nfs/dbraw/zinc/49/61/42/610496142.db2.gz QEFCRCWGPXGFNJ-QLFBSQMISA-N 1 2 335.448 0.472 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1OC ZINC000942531716 610501854 /nfs/dbraw/zinc/50/18/54/610501854.db2.gz YVMHHOJXXBMOCO-NJZAAPMLSA-N 1 2 346.387 0.134 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)cn1 ZINC000941879891 610539542 /nfs/dbraw/zinc/53/95/42/610539542.db2.gz UTQHKYPNHDMKCI-OAHLLOKOSA-N 1 2 337.383 0.668 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000941931316 610568351 /nfs/dbraw/zinc/56/83/51/610568351.db2.gz ZHPKKYIXJAPCCA-MRXNPFEDSA-N 1 2 336.395 0.893 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cn1 ZINC000941261697 610630569 /nfs/dbraw/zinc/63/05/69/610630569.db2.gz AXFWHXXAGGIOBA-BZUAXINKSA-N 1 2 349.394 0.920 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cn1 ZINC000941261697 610630572 /nfs/dbraw/zinc/63/05/72/610630572.db2.gz AXFWHXXAGGIOBA-BZUAXINKSA-N 1 2 349.394 0.920 20 30 ECEDLO Cc1nc(C)c(C[NH+]2CC(N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)o1 ZINC000941348526 610685009 /nfs/dbraw/zinc/68/50/09/610685009.db2.gz NDFICJIXWXUIDR-LBPRGKRZSA-N 1 2 331.420 0.780 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2CCCCN(C(=O)Cc3c[nH+]c[nH]3)C2)[nH]1 ZINC000943200945 610745087 /nfs/dbraw/zinc/74/50/87/610745087.db2.gz XFNXJJQVVPPCQN-CYBMUJFWSA-N 1 2 340.387 0.963 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000944175318 610766410 /nfs/dbraw/zinc/76/64/10/610766410.db2.gz DFQOXFGPZMKNHD-FMKPAKJESA-N 1 2 346.431 0.959 20 30 ECEDLO C[C@H]1CN(CC#N)CC[C@H]1NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000943252515 610775545 /nfs/dbraw/zinc/77/55/45/610775545.db2.gz BGZCNWYUKVYSFH-JKSUJKDBSA-N 1 2 334.464 0.982 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CCCN2C(=O)Cc2[nH]cc[nH+]2)c[nH]1 ZINC000944236136 610803233 /nfs/dbraw/zinc/80/32/33/610803233.db2.gz ITRPNSZVIFZNBO-CYBMUJFWSA-N 1 2 326.360 0.573 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC2(CN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC000944993623 610872704 /nfs/dbraw/zinc/87/27/04/610872704.db2.gz UVMWWMQYLAJMNG-LBPRGKRZSA-N 1 2 329.404 0.871 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1 ZINC000943591823 610906452 /nfs/dbraw/zinc/90/64/52/610906452.db2.gz OGNPNHLPJRAHPT-ZIAGYGMSSA-N 1 2 334.420 0.517 20 30 ECEDLO O=C(C#CC1CC1)N1CCC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000944010322 611083021 /nfs/dbraw/zinc/08/30/21/611083021.db2.gz JKERLKCLJCXTMJ-HZPDHXFCSA-N 1 2 340.427 0.966 20 30 ECEDLO C=CCSCCNC(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000929751936 611790273 /nfs/dbraw/zinc/79/02/73/611790273.db2.gz CLSZNJNDGIWSHL-UHFFFAOYSA-N 1 2 342.490 0.856 20 30 ECEDLO N#CCC[N@H+](CCN1CCOCC1)C[C@H](O)CCC1(O)CCC1 ZINC000929775443 611792542 /nfs/dbraw/zinc/79/25/42/611792542.db2.gz ZYESECIODQKZIA-MRXNPFEDSA-N 1 2 325.453 0.590 20 30 ECEDLO N#CCC[N@@H+](CCN1CCOCC1)C[C@H](O)CCC1(O)CCC1 ZINC000929775443 611792546 /nfs/dbraw/zinc/79/25/46/611792546.db2.gz ZYESECIODQKZIA-MRXNPFEDSA-N 1 2 325.453 0.590 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000950745906 611881747 /nfs/dbraw/zinc/88/17/47/611881747.db2.gz AWGXNHNYVWHKSD-HUUCEWRRSA-N 1 2 326.400 0.576 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCOC2(CCN(CC#N)CC2)C1 ZINC000949194007 611896044 /nfs/dbraw/zinc/89/60/44/611896044.db2.gz GHZMBSMHBGHHAJ-HUUCEWRRSA-N 1 2 343.431 0.741 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000950215745 611907776 /nfs/dbraw/zinc/90/77/76/611907776.db2.gz YNSZODNGKCSXES-KEYYUXOJSA-N 1 2 346.431 0.959 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cn(C)nc3COC)CC2)C1 ZINC000949398949 611964802 /nfs/dbraw/zinc/96/48/02/611964802.db2.gz RMWNUAIAXWPRFH-UHFFFAOYSA-N 1 2 346.431 0.507 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cn(C)nc3COC)CC2)C1 ZINC000949398949 611964804 /nfs/dbraw/zinc/96/48/04/611964804.db2.gz RMWNUAIAXWPRFH-UHFFFAOYSA-N 1 2 346.431 0.507 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[nH]1 ZINC000949449911 611985261 /nfs/dbraw/zinc/98/52/61/611985261.db2.gz TVHLGOSZJNXGPW-YNEHKIRRSA-N 1 2 338.371 0.744 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[nH]1 ZINC000949449911 611985263 /nfs/dbraw/zinc/98/52/63/611985263.db2.gz TVHLGOSZJNXGPW-YNEHKIRRSA-N 1 2 338.371 0.744 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000950971360 612003933 /nfs/dbraw/zinc/00/39/33/612003933.db2.gz AXFSHZLNDDLWJH-VYDXJSESSA-N 1 2 346.431 0.972 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C(=O)N3CC[C@H](C)C3)CC2)C1 ZINC000949506173 612012981 /nfs/dbraw/zinc/01/29/81/612012981.db2.gz FMLQUFOGOVIJGT-HNNXBMFYSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C(=O)N3CC[C@H](C)C3)CC2)C1 ZINC000949506173 612012984 /nfs/dbraw/zinc/01/29/84/612012984.db2.gz FMLQUFOGOVIJGT-HNNXBMFYSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cccn(C)c3=O)CC2)C1 ZINC000949515306 612017438 /nfs/dbraw/zinc/01/74/38/612017438.db2.gz KUWKLJOGSDPFGM-UHFFFAOYSA-N 1 2 329.400 0.326 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cccn(C)c3=O)CC2)C1 ZINC000949515306 612017440 /nfs/dbraw/zinc/01/74/40/612017440.db2.gz KUWKLJOGSDPFGM-UHFFFAOYSA-N 1 2 329.400 0.326 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C3CCN(C(C)=O)CC3)CC2)C1 ZINC000949523214 612019484 /nfs/dbraw/zinc/01/94/84/612019484.db2.gz HTNUTPUZWNYRFC-UHFFFAOYSA-N 1 2 347.459 0.572 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C3CCN(C(C)=O)CC3)CC2)C1 ZINC000949523214 612019486 /nfs/dbraw/zinc/01/94/86/612019486.db2.gz HTNUTPUZWNYRFC-UHFFFAOYSA-N 1 2 347.459 0.572 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC000951255188 612109228 /nfs/dbraw/zinc/10/92/28/612109228.db2.gz KGWRMVURZXQUGW-CYBMUJFWSA-N 1 2 343.391 0.082 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC000952945255 612135193 /nfs/dbraw/zinc/13/51/93/612135193.db2.gz TZWNVQCUDPJPOE-GUYCJALGSA-N 1 2 329.404 0.953 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)Cc2[nH]c[nH+]c2C)nc1 ZINC000951377823 612194358 /nfs/dbraw/zinc/19/43/58/612194358.db2.gz HZSJOSJOEDBEPT-CQSZACIVSA-N 1 2 337.383 0.668 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000951509952 612284052 /nfs/dbraw/zinc/28/40/52/612284052.db2.gz ABXTXGGTKUZHKC-ZDUSSCGKSA-N 1 2 340.387 0.881 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC000953999338 612537736 /nfs/dbraw/zinc/53/77/36/612537736.db2.gz LDTMMRMRCKXXNR-NSHDSACASA-N 1 2 340.387 0.771 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC000953999338 612537737 /nfs/dbraw/zinc/53/77/37/612537737.db2.gz LDTMMRMRCKXXNR-NSHDSACASA-N 1 2 340.387 0.771 20 30 ECEDLO CN(C(=O)Cn1cc[nH+]c1)C1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000954052026 612593933 /nfs/dbraw/zinc/59/39/33/612593933.db2.gz WIBAVVNCBWZKSE-UHFFFAOYSA-N 1 2 340.387 0.846 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)Cn2cc[nH+]c2)[nH]1 ZINC000956078321 612682290 /nfs/dbraw/zinc/68/22/90/612682290.db2.gz MFGWTBLUZPNTGQ-ZDUSSCGKSA-N 1 2 326.360 0.504 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000955618401 612710806 /nfs/dbraw/zinc/71/08/06/612710806.db2.gz PHNRCESLDJLKLF-YPMHNXCESA-N 1 2 340.387 0.961 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000954837419 612731133 /nfs/dbraw/zinc/73/11/33/612731133.db2.gz KWQJMIICHWYAQI-RDJZCZTQSA-N 1 2 346.431 0.613 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000954392733 612889190 /nfs/dbraw/zinc/88/91/90/612889190.db2.gz ZFYPRBMJUQKPRV-BBRMVZONSA-N 1 2 332.404 0.603 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)COC)C2)CC1 ZINC000956601167 612923378 /nfs/dbraw/zinc/92/33/78/612923378.db2.gz LESQXOGLVOGUDV-OAHLLOKOSA-N 1 2 337.464 0.980 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)/C=C\C3CC3)C2)CC1 ZINC000956606939 612925069 /nfs/dbraw/zinc/92/50/69/612925069.db2.gz WQTLWKSQVPRCRA-RCELQXLSSA-N 1 2 330.432 0.857 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3nnn(C(C)C)c3C)[C@H]2C1 ZINC001083235657 735488511 /nfs/dbraw/zinc/48/85/11/735488511.db2.gz PBXSIIAZORNIRW-LSDHHAIUSA-N 1 2 331.420 0.716 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3nnn(C(C)C)c3C)[C@H]2C1 ZINC001083235657 735488514 /nfs/dbraw/zinc/48/85/14/735488514.db2.gz PBXSIIAZORNIRW-LSDHHAIUSA-N 1 2 331.420 0.716 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001024987038 738461543 /nfs/dbraw/zinc/46/15/43/738461543.db2.gz AVNRSVMAFTVONK-IRXDYDNUSA-N 1 2 344.463 0.383 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@]23CCC[C@H]2OCC3)[C@@H](n2ccnn2)C1 ZINC001069979933 790272969 /nfs/dbraw/zinc/27/29/69/790272969.db2.gz SPRMYMNAJDEBIM-DLTWYDFYSA-N 1 2 329.404 0.212 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@]23CCC[C@H]2OCC3)[C@@H](n2ccnn2)C1 ZINC001069979933 790272972 /nfs/dbraw/zinc/27/29/72/790272972.db2.gz SPRMYMNAJDEBIM-DLTWYDFYSA-N 1 2 329.404 0.212 20 30 ECEDLO COCCC(=O)N1CC[C@H]([NH+]2CCN(c3nccnc3C#N)CC2)C1 ZINC001111963861 738557215 /nfs/dbraw/zinc/55/72/15/738557215.db2.gz YLRHGCXUSJZIST-AWEZNQCLSA-N 1 2 344.419 0.108 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H](O)CN(C)c1cc[nH+]c(C)n1 ZINC001125309309 732506563 /nfs/dbraw/zinc/50/65/63/732506563.db2.gz GQKJRQWMNRUSHV-ZNMIVQPWSA-N 1 2 334.420 0.632 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1O ZINC001078082386 782274088 /nfs/dbraw/zinc/27/40/88/782274088.db2.gz KEVCPFCVQYDPJT-RTBURBONSA-N 1 2 335.407 0.967 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1O ZINC001078082386 782274091 /nfs/dbraw/zinc/27/40/91/782274091.db2.gz KEVCPFCVQYDPJT-RTBURBONSA-N 1 2 335.407 0.967 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@H]1O ZINC001078082306 782274142 /nfs/dbraw/zinc/27/41/42/782274142.db2.gz ITXZHSJOUPXEKK-QZTJIDSGSA-N 1 2 339.395 0.868 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@H]1O ZINC001078082306 782274148 /nfs/dbraw/zinc/27/41/48/782274148.db2.gz ITXZHSJOUPXEKK-QZTJIDSGSA-N 1 2 339.395 0.868 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3ocnc3C)C[C@@H]21 ZINC001083198684 733102395 /nfs/dbraw/zinc/10/23/95/733102395.db2.gz LDZYXMMWLYOTNV-WBTNSWJXSA-N 1 2 347.415 0.986 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](Cc3ocnc3C)C[C@@H]21 ZINC001083198684 733102397 /nfs/dbraw/zinc/10/23/97/733102397.db2.gz LDZYXMMWLYOTNV-WBTNSWJXSA-N 1 2 347.415 0.986 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+][C@@H](C)c3nc(CC)no3)C2)nn1 ZINC000970206543 733201209 /nfs/dbraw/zinc/20/12/09/733201209.db2.gz XCMZJRYMKJIEDH-NWDGAFQWSA-N 1 2 345.407 0.975 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)NC[C@@H](C)CNc2ccnc(C#N)n2)c[nH+]1 ZINC001104260135 733445445 /nfs/dbraw/zinc/44/54/45/733445445.db2.gz KQUODWKPTKTERE-LBPRGKRZSA-N 1 2 341.419 0.875 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC000970420998 733493765 /nfs/dbraw/zinc/49/37/65/733493765.db2.gz UTIONKCUUXFEQQ-BNOWGMLFSA-N 1 2 343.855 0.811 20 30 ECEDLO C[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000970431084 733513683 /nfs/dbraw/zinc/51/36/83/733513683.db2.gz KBGXKFBXBCBJTI-VQISRLSMSA-N 1 2 344.390 0.755 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(O)(CNc2[nH+]cnc3c2cnn3C)CC1 ZINC001067471520 733556025 /nfs/dbraw/zinc/55/60/25/733556025.db2.gz FKXPUTPBRSCPQZ-LLVKDONJSA-N 1 2 343.391 0.288 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)[C@@H](n2ccnn2)C1 ZINC001069986039 790280700 /nfs/dbraw/zinc/28/07/00/790280700.db2.gz XDLWBSZZEWNBCW-WCVJEAGWSA-N 1 2 329.404 0.068 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)[C@@H](n2ccnn2)C1 ZINC001069986039 790280705 /nfs/dbraw/zinc/28/07/05/790280705.db2.gz XDLWBSZZEWNBCW-WCVJEAGWSA-N 1 2 329.404 0.068 20 30 ECEDLO C[C@H](CNC(=O)CCc1[nH+]ccn1C)CNc1nccnc1C#N ZINC001104289920 733954983 /nfs/dbraw/zinc/95/49/83/733954983.db2.gz YOQAARVEANWXLW-GFCCVEGCSA-N 1 2 327.392 0.879 20 30 ECEDLO N#Cc1ccc(N2CCO[C@@H](CNC(=O)CCc3[nH]cc[nH+]3)C2)nn1 ZINC001104308401 734199355 /nfs/dbraw/zinc/19/93/55/734199355.db2.gz KGFIQZMHZXSTGL-ZDUSSCGKSA-N 1 2 341.375 0.026 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NC[C@H]1CN(c2ccc(C#N)cn2)CCO1 ZINC001104321806 734297712 /nfs/dbraw/zinc/29/77/12/734297712.db2.gz OQDQDGNUFROISR-HNNXBMFYSA-N 1 2 340.387 0.251 20 30 ECEDLO CCn1nncc1C[N@H+](C)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971284818 734420947 /nfs/dbraw/zinc/42/09/47/734420947.db2.gz IPGGZXOEAIXLLT-ZDUSSCGKSA-N 1 2 327.392 0.844 20 30 ECEDLO CCn1nncc1C[N@@H+](C)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971284818 734420950 /nfs/dbraw/zinc/42/09/50/734420950.db2.gz IPGGZXOEAIXLLT-ZDUSSCGKSA-N 1 2 327.392 0.844 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC000971325460 734446707 /nfs/dbraw/zinc/44/67/07/734446707.db2.gz CDXSNRKOCBGDHF-RYUDHWBXSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC000971325460 734446709 /nfs/dbraw/zinc/44/67/09/734446709.db2.gz CDXSNRKOCBGDHF-RYUDHWBXSA-N 1 2 344.253 0.954 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccn(C(C)(C)C)c3=O)[C@H]2C1 ZINC001083218091 734608181 /nfs/dbraw/zinc/60/81/81/734608181.db2.gz AXOBZFOLSFVBCO-JKSUJKDBSA-N 1 2 343.427 0.762 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccn(C(C)(C)C)c3=O)[C@H]2C1 ZINC001083218091 734608183 /nfs/dbraw/zinc/60/81/83/734608183.db2.gz AXOBZFOLSFVBCO-JKSUJKDBSA-N 1 2 343.427 0.762 20 30 ECEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(=O)n(C)[nH]2)C1 ZINC000971687085 734951871 /nfs/dbraw/zinc/95/18/71/734951871.db2.gz ITWNBDWSAOYXBK-CYBMUJFWSA-N 1 2 344.419 0.442 20 30 ECEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([N@H+](C)Cc2nc(=O)n(C)[nH]2)C1 ZINC000971687085 734951875 /nfs/dbraw/zinc/95/18/75/734951875.db2.gz ITWNBDWSAOYXBK-CYBMUJFWSA-N 1 2 344.419 0.442 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)c4cnon4)[C@H]3C2)cc1 ZINC001083228070 735199788 /nfs/dbraw/zinc/19/97/88/735199788.db2.gz JQIHGMFSPOAEPY-JKSUJKDBSA-N 1 2 339.355 0.667 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)c4cnon4)[C@H]3C2)cc1 ZINC001083228070 735199790 /nfs/dbraw/zinc/19/97/90/735199790.db2.gz JQIHGMFSPOAEPY-JKSUJKDBSA-N 1 2 339.355 0.667 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972075065 735614331 /nfs/dbraw/zinc/61/43/31/735614331.db2.gz HVONNPVZYVLEIT-QWRGUYRKSA-N 1 2 330.226 0.564 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972075065 735614336 /nfs/dbraw/zinc/61/43/36/735614336.db2.gz HVONNPVZYVLEIT-QWRGUYRKSA-N 1 2 330.226 0.564 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972075066 735614488 /nfs/dbraw/zinc/61/44/88/735614488.db2.gz HVONNPVZYVLEIT-WDEREUQCSA-N 1 2 330.226 0.564 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972075066 735614490 /nfs/dbraw/zinc/61/44/90/735614490.db2.gz HVONNPVZYVLEIT-WDEREUQCSA-N 1 2 330.226 0.564 20 30 ECEDLO Cc1noc(CCC[N@@H+]2CCO[C@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)n1 ZINC000972297404 735906572 /nfs/dbraw/zinc/90/65/72/735906572.db2.gz IOYBAZGABTUTMS-SUMWQHHRSA-N 1 2 347.419 0.774 20 30 ECEDLO Cc1noc(CCC[N@H+]2CCO[C@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)n1 ZINC000972297404 735906576 /nfs/dbraw/zinc/90/65/76/735906576.db2.gz IOYBAZGABTUTMS-SUMWQHHRSA-N 1 2 347.419 0.774 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCN(C(=O)CC)C3)C2)C1 ZINC000972386897 736056967 /nfs/dbraw/zinc/05/69/67/736056967.db2.gz ICNUUFOJPBGESE-LPHOPBHVSA-N 1 2 347.459 0.572 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCN(C(=O)CC)C3)C2)C1 ZINC000972386897 736056972 /nfs/dbraw/zinc/05/69/72/736056972.db2.gz ICNUUFOJPBGESE-LPHOPBHVSA-N 1 2 347.459 0.572 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccncn3)C2)C1 ZINC000972402510 736127679 /nfs/dbraw/zinc/12/76/79/736127679.db2.gz SWLRZQWRURIKRH-SFHVURJKSA-N 1 2 328.416 0.736 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccncn3)C2)C1 ZINC000972402510 736127681 /nfs/dbraw/zinc/12/76/81/736127681.db2.gz SWLRZQWRURIKRH-SFHVURJKSA-N 1 2 328.416 0.736 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4n3CCOC4)C2)C1 ZINC000972421147 736164677 /nfs/dbraw/zinc/16/46/77/736164677.db2.gz DSXMYYLMJQHMNA-KRWDZBQOSA-N 1 2 332.404 0.516 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4n3CCOC4)C2)C1 ZINC000972421147 736164678 /nfs/dbraw/zinc/16/46/78/736164678.db2.gz DSXMYYLMJQHMNA-KRWDZBQOSA-N 1 2 332.404 0.516 20 30 ECEDLO CC#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC000972440078 736198793 /nfs/dbraw/zinc/19/87/93/736198793.db2.gz ZMEWZYGRNTVVNU-APWZRJJASA-N 1 2 342.443 0.772 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[C@@]3(C1)CN(CC#N)CCO3)C2 ZINC000972440971 736200783 /nfs/dbraw/zinc/20/07/83/736200783.db2.gz OAXWQNHXMKHXFX-KDOFPFPSSA-N 1 2 343.431 0.650 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[C@@]3(C1)CN(CC#N)CCO3)CC2 ZINC000972440971 736200785 /nfs/dbraw/zinc/20/07/85/736200785.db2.gz OAXWQNHXMKHXFX-KDOFPFPSSA-N 1 2 343.431 0.650 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3COCCN3CC)C2)C1 ZINC000972442079 736205897 /nfs/dbraw/zinc/20/58/97/736205897.db2.gz YMGNFUGOZLFWEK-SJLPKXTDSA-N 1 2 335.448 0.034 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3COCCN3CC)C2)C1 ZINC000972442079 736205898 /nfs/dbraw/zinc/20/58/98/736205898.db2.gz YMGNFUGOZLFWEK-SJLPKXTDSA-N 1 2 335.448 0.034 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)cn3C)C2)C1 ZINC000972453565 736237339 /nfs/dbraw/zinc/23/73/39/736237339.db2.gz PFSPGSBWSFPGBV-GOSISDBHSA-N 1 2 344.415 0.064 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)cn3C)C2)C1 ZINC000972453565 736237343 /nfs/dbraw/zinc/23/73/43/736237343.db2.gz PFSPGSBWSFPGBV-GOSISDBHSA-N 1 2 344.415 0.064 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C2)C1 ZINC000972456117 736243789 /nfs/dbraw/zinc/24/37/89/736243789.db2.gz RWQBVHNBBAJECM-CRAIPNDOSA-N 1 2 348.447 0.104 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)C2)C1 ZINC000972456117 736243791 /nfs/dbraw/zinc/24/37/91/736243791.db2.gz RWQBVHNBBAJECM-CRAIPNDOSA-N 1 2 348.447 0.104 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H](C)OC2(CC[NH+](Cc3cn(C)nn3)CC2)C1 ZINC001098574523 736409645 /nfs/dbraw/zinc/40/96/45/736409645.db2.gz NBBMKQTXTPPRRL-KGLIPLIRSA-N 1 2 346.435 0.557 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3cnnn3CC)C2)nn1 ZINC000972502359 736431011 /nfs/dbraw/zinc/43/10/11/736431011.db2.gz VONCUQDVJTUPNS-CYBMUJFWSA-N 1 2 344.423 0.422 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([N@H+](C)Cc3cnnn3CC)C2)nn1 ZINC000972502359 736431012 /nfs/dbraw/zinc/43/10/12/736431012.db2.gz VONCUQDVJTUPNS-CYBMUJFWSA-N 1 2 344.423 0.422 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3cncnc3)C2)C1 ZINC000972518674 736539844 /nfs/dbraw/zinc/53/98/44/736539844.db2.gz KAGPEANBCPUEOE-MAUKXSAKSA-N 1 2 328.416 0.907 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)c3cncnc3)C2)C1 ZINC000972518674 736539847 /nfs/dbraw/zinc/53/98/47/736539847.db2.gz KAGPEANBCPUEOE-MAUKXSAKSA-N 1 2 328.416 0.907 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C(C)C)C2)C1 ZINC000972520075 736545075 /nfs/dbraw/zinc/54/50/75/736545075.db2.gz OSJHQHUMYWLQLL-YJBOKZPZSA-N 1 2 335.448 0.875 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C(C)C)C2)C1 ZINC000972520075 736545077 /nfs/dbraw/zinc/54/50/77/736545077.db2.gz OSJHQHUMYWLQLL-YJBOKZPZSA-N 1 2 335.448 0.875 20 30 ECEDLO C[C@H](c1nnnn1C)[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001023319931 736680120 /nfs/dbraw/zinc/68/01/20/736680120.db2.gz JOWNFXKNVDCBJA-VXGBXAGGSA-N 1 2 342.407 0.613 20 30 ECEDLO C[C@H](c1nnnn1C)[N@H+]1CCC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001023319931 736680122 /nfs/dbraw/zinc/68/01/22/736680122.db2.gz JOWNFXKNVDCBJA-VXGBXAGGSA-N 1 2 342.407 0.613 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3nnn(CC)c3CC)C2)C1 ZINC000972549515 736687186 /nfs/dbraw/zinc/68/71/86/736687186.db2.gz OWDAUTZYSWJZNT-SFHVURJKSA-N 1 2 345.447 0.801 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3nnn(CC)c3CC)C2)C1 ZINC000972549515 736687187 /nfs/dbraw/zinc/68/71/87/736687187.db2.gz OWDAUTZYSWJZNT-SFHVURJKSA-N 1 2 345.447 0.801 20 30 ECEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2nnnn2C)C1 ZINC001023414806 736799602 /nfs/dbraw/zinc/79/96/02/736799602.db2.gz BLMLKQGMVRRZGJ-AWEZNQCLSA-N 1 2 343.435 0.840 20 30 ECEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCC[N@H+](Cc2nnnn2C)C1 ZINC001023414806 736799604 /nfs/dbraw/zinc/79/96/04/736799604.db2.gz BLMLKQGMVRRZGJ-AWEZNQCLSA-N 1 2 343.435 0.840 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)COC3CCOCC3)C2)C1 ZINC000972583568 736951336 /nfs/dbraw/zinc/95/13/36/736951336.db2.gz VOEWSVXLHCSHOO-GOSISDBHSA-N 1 2 336.432 0.509 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)COC3CCOCC3)C2)C1 ZINC000972583568 736951338 /nfs/dbraw/zinc/95/13/38/736951338.db2.gz VOEWSVXLHCSHOO-GOSISDBHSA-N 1 2 336.432 0.509 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CCC[C@H](C)C3)C2)C1 ZINC000972584930 736964812 /nfs/dbraw/zinc/96/48/12/736964812.db2.gz CUCUDWLWSGMZHZ-QFBILLFUSA-N 1 2 347.459 0.572 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CCC[C@H](C)C3)C2)C1 ZINC000972584930 736964815 /nfs/dbraw/zinc/96/48/15/736964815.db2.gz CUCUDWLWSGMZHZ-QFBILLFUSA-N 1 2 347.459 0.572 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3nc(C4CC4)no3)C2)C1 ZINC000972585210 736969238 /nfs/dbraw/zinc/96/92/38/736969238.db2.gz KAZZOCIHQCYRGX-GOSISDBHSA-N 1 2 344.415 0.816 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3nc(C4CC4)no3)C2)C1 ZINC000972585210 736969242 /nfs/dbraw/zinc/96/92/42/736969242.db2.gz KAZZOCIHQCYRGX-GOSISDBHSA-N 1 2 344.415 0.816 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@@]3(C2)C[N@H+](CC#CC)CCO3)nn1 ZINC000972590917 737010339 /nfs/dbraw/zinc/01/03/39/737010339.db2.gz WITOSTHDFDHGAW-SFHVURJKSA-N 1 2 343.431 0.794 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@@]3(C2)C[N@@H+](CC#CC)CCO3)nn1 ZINC000972590917 737010343 /nfs/dbraw/zinc/01/03/43/737010343.db2.gz WITOSTHDFDHGAW-SFHVURJKSA-N 1 2 343.431 0.794 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3nncn3C)C2)nn1 ZINC001023637973 737125375 /nfs/dbraw/zinc/12/53/75/737125375.db2.gz VNYMRGPUCYVFLB-CYBMUJFWSA-N 1 2 344.423 0.235 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3nncn3C)C2)nn1 ZINC001023637973 737125379 /nfs/dbraw/zinc/12/53/79/737125379.db2.gz VNYMRGPUCYVFLB-CYBMUJFWSA-N 1 2 344.423 0.235 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCCN3C(N)=O)C2)C1 ZINC000972634788 737181693 /nfs/dbraw/zinc/18/16/93/737181693.db2.gz MWYKHXXCSKDNIU-MAUKXSAKSA-N 1 2 348.447 0.246 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCCN3C(N)=O)C2)C1 ZINC000972634788 737181697 /nfs/dbraw/zinc/18/16/97/737181697.db2.gz MWYKHXXCSKDNIU-MAUKXSAKSA-N 1 2 348.447 0.246 20 30 ECEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CC1 ZINC001111482516 737295843 /nfs/dbraw/zinc/29/58/43/737295843.db2.gz NQPUFWZDPIVEQM-OAGGEKHMSA-N 1 2 335.448 0.827 20 30 ECEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CC1 ZINC001111482516 737295848 /nfs/dbraw/zinc/29/58/48/737295848.db2.gz NQPUFWZDPIVEQM-OAGGEKHMSA-N 1 2 335.448 0.827 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCn3cc(Cl)cn3)C2)C1 ZINC000972685334 737376580 /nfs/dbraw/zinc/37/65/80/737376580.db2.gz NTCMWTGJFYAIOW-MRXNPFEDSA-N 1 2 336.823 0.863 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCn3cc(Cl)cn3)C2)C1 ZINC000972685334 737376582 /nfs/dbraw/zinc/37/65/82/737376582.db2.gz NTCMWTGJFYAIOW-MRXNPFEDSA-N 1 2 336.823 0.863 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CCC(NC(C)=O)CC3)C2)C1 ZINC000972699209 737435556 /nfs/dbraw/zinc/43/55/56/737435556.db2.gz CEBATEOPOCTMSM-TVPLGVNVSA-N 1 2 347.459 0.618 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CCC(NC(C)=O)CC3)C2)C1 ZINC000972699209 737435559 /nfs/dbraw/zinc/43/55/59/737435559.db2.gz CEBATEOPOCTMSM-TVPLGVNVSA-N 1 2 347.459 0.618 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(F)ccc2OC)[C@@H](n2ccnn2)C1 ZINC001069992719 790287290 /nfs/dbraw/zinc/28/72/90/790287290.db2.gz RBAQALQLVDNOOD-CABCVRRESA-N 1 2 343.362 0.714 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(F)ccc2OC)[C@@H](n2ccnn2)C1 ZINC001069992719 790287297 /nfs/dbraw/zinc/28/72/97/790287297.db2.gz RBAQALQLVDNOOD-CABCVRRESA-N 1 2 343.362 0.714 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001024336781 737904000 /nfs/dbraw/zinc/90/40/00/737904000.db2.gz AILOFYJAZNPQOY-BPLDGKMQSA-N 1 2 346.431 0.346 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)COc3ccc(C)cc3OC)[C@H]2C1 ZINC001083267643 738105740 /nfs/dbraw/zinc/10/57/40/738105740.db2.gz LEZXGZRPPMGVIK-MAUKXSAKSA-N 1 2 344.411 0.927 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)COc3ccc(C)cc3OC)[C@H]2C1 ZINC001083267643 738105744 /nfs/dbraw/zinc/10/57/44/738105744.db2.gz LEZXGZRPPMGVIK-MAUKXSAKSA-N 1 2 344.411 0.927 20 30 ECEDLO C#CCOc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CC(N)=O)cc1 ZINC001024694181 738226682 /nfs/dbraw/zinc/22/66/82/738226682.db2.gz DOVIWPPDQUDYHJ-OAHLLOKOSA-N 1 2 329.400 0.768 20 30 ECEDLO C#CCOc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(N)=O)cc1 ZINC001024694181 738226683 /nfs/dbraw/zinc/22/66/83/738226683.db2.gz DOVIWPPDQUDYHJ-OAHLLOKOSA-N 1 2 329.400 0.768 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001024777868 738285402 /nfs/dbraw/zinc/28/54/02/738285402.db2.gz KBHDAWHIDAKMKI-CPUCHLNUSA-N 1 2 334.420 0.253 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2cc(C)n(C)n2)nn1 ZINC001028187300 751417637 /nfs/dbraw/zinc/41/76/37/751417637.db2.gz HSUGZISYEGGVFR-OAHLLOKOSA-N 1 2 343.435 0.900 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cc(C)n(C)n2)nn1 ZINC001028187300 751417641 /nfs/dbraw/zinc/41/76/41/751417641.db2.gz HSUGZISYEGGVFR-OAHLLOKOSA-N 1 2 343.435 0.900 20 30 ECEDLO C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001104613858 739212003 /nfs/dbraw/zinc/21/20/03/739212003.db2.gz POJBGNBHTCTVDY-ZDUSSCGKSA-N 1 2 346.435 0.718 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](Cc3ccccc3)OC)[C@H]2C1 ZINC001083280446 739274875 /nfs/dbraw/zinc/27/48/75/739274875.db2.gz RUKMRZODGJVPIQ-RCCFBDPRSA-N 1 2 328.412 0.789 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](Cc3ccccc3)OC)[C@H]2C1 ZINC001083280446 739274879 /nfs/dbraw/zinc/27/48/79/739274879.db2.gz RUKMRZODGJVPIQ-RCCFBDPRSA-N 1 2 328.412 0.789 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2cnnn2C)nn1 ZINC001028192831 751433399 /nfs/dbraw/zinc/43/33/99/751433399.db2.gz REFXPXHENQSFJN-CYBMUJFWSA-N 1 2 344.423 0.377 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cnnn2C)nn1 ZINC001028192831 751433403 /nfs/dbraw/zinc/43/34/03/751433403.db2.gz REFXPXHENQSFJN-CYBMUJFWSA-N 1 2 344.423 0.377 20 30 ECEDLO C[C@@H](CNc1nccnc1C#N)N(C)C(=O)CCc1c[nH+]cn1C ZINC001104641764 739350736 /nfs/dbraw/zinc/35/07/36/739350736.db2.gz HBRJSBOMXQRADP-LBPRGKRZSA-N 1 2 327.392 0.973 20 30 ECEDLO C[C@H](CNc1nccnc1C#N)N(C)C(=O)CCc1c[nH+]cn1C ZINC001104641763 739350827 /nfs/dbraw/zinc/35/08/27/739350827.db2.gz HBRJSBOMXQRADP-GFCCVEGCSA-N 1 2 327.392 0.973 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cnnn1C ZINC001028197919 751463342 /nfs/dbraw/zinc/46/33/42/751463342.db2.gz URUGOJLHEAYBOM-BPUTZDHNSA-N 1 2 333.436 0.877 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cnnn1C ZINC001028197919 751463345 /nfs/dbraw/zinc/46/33/45/751463345.db2.gz URUGOJLHEAYBOM-BPUTZDHNSA-N 1 2 333.436 0.877 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](Cc3cnon3)C2)nn1 ZINC001025555854 739718748 /nfs/dbraw/zinc/71/87/48/739718748.db2.gz QJYLEILHAGPCDH-QWHCGFSZSA-N 1 2 345.407 0.878 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](Cc3cnon3)C2)nn1 ZINC001025555854 739718752 /nfs/dbraw/zinc/71/87/52/739718752.db2.gz QJYLEILHAGPCDH-QWHCGFSZSA-N 1 2 345.407 0.878 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(NC(=O)NC)cc3)[C@H]2C1 ZINC001083287641 740271763 /nfs/dbraw/zinc/27/17/63/740271763.db2.gz RLWUKQSPEMJEHB-JKSUJKDBSA-N 1 2 342.399 0.596 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(NC(=O)NC)cc3)[C@H]2C1 ZINC001083287641 740271765 /nfs/dbraw/zinc/27/17/65/740271765.db2.gz RLWUKQSPEMJEHB-JKSUJKDBSA-N 1 2 342.399 0.596 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(F)c(NC(C)=O)c3)[C@H]2C1 ZINC001083288609 740302574 /nfs/dbraw/zinc/30/25/74/740302574.db2.gz PJJXSHKICUSTBW-DLBZAZTESA-N 1 2 345.374 0.943 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(F)c(NC(C)=O)c3)[C@H]2C1 ZINC001083288609 740302575 /nfs/dbraw/zinc/30/25/75/740302575.db2.gz PJJXSHKICUSTBW-DLBZAZTESA-N 1 2 345.374 0.943 20 30 ECEDLO CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@]3(C)CCCS3(=O)=O)C2)C1 ZINC000982067956 751547637 /nfs/dbraw/zinc/54/76/37/751547637.db2.gz VFLXMKXZGRFQHO-INIZCTEOSA-N 1 2 338.473 0.901 20 30 ECEDLO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@]3(C)CCCS3(=O)=O)C2)C1 ZINC000982067956 751547641 /nfs/dbraw/zinc/54/76/41/751547641.db2.gz VFLXMKXZGRFQHO-INIZCTEOSA-N 1 2 338.473 0.901 20 30 ECEDLO CN(C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)c1ccc(C#N)nn1 ZINC001058705813 740981513 /nfs/dbraw/zinc/98/15/13/740981513.db2.gz LLUQUELDANZDLD-CYBMUJFWSA-N 1 2 339.403 0.989 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH2+]Cc1cn([C@H]2CCN(C(=O)C(C)C)C2)nn1 ZINC001098615243 741059164 /nfs/dbraw/zinc/05/91/64/741059164.db2.gz NNMQULCRBSXCPB-ZFWWWQNUSA-N 1 2 348.451 0.488 20 30 ECEDLO C=CCOCC(=O)NC[C@@H]1CCCN1c1ncnc2c1C[N@H+](C)CC2 ZINC001100808013 741297027 /nfs/dbraw/zinc/29/70/27/741297027.db2.gz PHVYFWDAOBUZJW-AWEZNQCLSA-N 1 2 345.447 0.752 20 30 ECEDLO C=CCOCC(=O)NC[C@@H]1CCCN1c1ncnc2c1C[N@@H+](C)CC2 ZINC001100808013 741297031 /nfs/dbraw/zinc/29/70/31/741297031.db2.gz PHVYFWDAOBUZJW-AWEZNQCLSA-N 1 2 345.447 0.752 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]Cc1cn(C2CN(C(C)=O)C2)nn1 ZINC001105127790 741394696 /nfs/dbraw/zinc/39/46/96/741394696.db2.gz GKIAPVDNUZIKME-ZDUSSCGKSA-N 1 2 348.451 0.584 20 30 ECEDLO C#CCCCC(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(=O)N(C)C)nn2)C1 ZINC001105225681 741507090 /nfs/dbraw/zinc/50/70/90/741507090.db2.gz YRGVJKXRZAWXCF-ZDUSSCGKSA-N 1 2 346.435 0.031 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CCF)nn2)C1 ZINC001105243246 741544497 /nfs/dbraw/zinc/54/44/97/741544497.db2.gz ZOABAYRBLASPJO-CABCVRRESA-N 1 2 337.399 0.702 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC(n2cc(C[NH2+][C@@H]3CCNC3=O)nn2)C1 ZINC001105248897 741552006 /nfs/dbraw/zinc/55/20/06/741552006.db2.gz DDNPDYJFXQLRNL-CQSZACIVSA-N 1 2 346.435 0.242 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccn(C(F)F)n3)C2)nn1 ZINC001105249398 741553382 /nfs/dbraw/zinc/55/33/82/741553382.db2.gz SWLKIZMOOZNPFL-UHFFFAOYSA-N 1 2 349.345 0.680 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC(n2cc(C[NH2+][C@H](CC)C(N)=O)nn2)C1 ZINC001105249555 741553402 /nfs/dbraw/zinc/55/34/02/741553402.db2.gz WZXIBGRNVSFQQL-CQSZACIVSA-N 1 2 348.451 0.617 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc4n(n3)CCC4)C2)nn1 ZINC001105254289 741566210 /nfs/dbraw/zinc/56/62/10/741566210.db2.gz SGNBSYCMGGQTTH-UHFFFAOYSA-N 1 2 339.403 0.231 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3nc(C)sc3C)C2)nn1 ZINC001105268464 741610603 /nfs/dbraw/zinc/61/06/03/741610603.db2.gz OPXIXQCCYSHORT-UHFFFAOYSA-N 1 2 330.417 0.771 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(COC)cs3)C2)nn1 ZINC001105276149 741628890 /nfs/dbraw/zinc/62/88/90/741628890.db2.gz AFDQXHPUQRHPJX-UHFFFAOYSA-N 1 2 345.428 0.906 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccn4nccc34)C2)nn1 ZINC001105278498 741633511 /nfs/dbraw/zinc/63/35/11/741633511.db2.gz GVLKYVODBJNMPS-UHFFFAOYSA-N 1 2 335.371 0.346 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3nc4c(s3)CCC4)C2)nn1 ZINC001105280908 741638000 /nfs/dbraw/zinc/63/80/00/741638000.db2.gz JZTCYPCHHPSVBQ-UHFFFAOYSA-N 1 2 342.428 0.643 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCO[C@H]3C3CC3)C2)nn1 ZINC001105288759 741649427 /nfs/dbraw/zinc/64/94/27/741649427.db2.gz TXUFFTORARASRH-SJORKVTESA-N 1 2 343.431 0.589 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](OCC)C3CCCC3)C2)nn1 ZINC001105292444 741656686 /nfs/dbraw/zinc/65/66/86/741656686.db2.gz PATVIMKNDLKRSU-QGZVFWFLSA-N 1 2 345.447 0.980 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccc4cn[nH]c43)C2)nn1 ZINC001105296998 741674136 /nfs/dbraw/zinc/67/41/36/741674136.db2.gz DYEKIMLTRZSGQN-UHFFFAOYSA-N 1 2 335.371 0.574 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccc4c[nH]nc43)C2)nn1 ZINC001105296998 741674139 /nfs/dbraw/zinc/67/41/39/741674139.db2.gz DYEKIMLTRZSGQN-UHFFFAOYSA-N 1 2 335.371 0.574 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(n2cc(C[NH2+][C@H](C)C(=O)N(C)C)nn2)C1 ZINC001105297495 741674928 /nfs/dbraw/zinc/67/49/28/741674928.db2.gz OYFMCBBWESGNGG-GFCCVEGCSA-N 1 2 348.451 0.440 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)C3(C)CCC3)C2)nn1 ZINC001105299225 741681351 /nfs/dbraw/zinc/68/13/51/741681351.db2.gz LXNJMBPOICABBK-UHFFFAOYSA-N 1 2 331.420 0.591 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[C@@H](F)C3)C2)nn1 ZINC001105314357 741735074 /nfs/dbraw/zinc/73/50/74/741735074.db2.gz QJTIQWIOXYYZRZ-ZIAGYGMSSA-N 1 2 349.410 0.539 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3C[C@H]3C)C2)nn1 ZINC001105318941 741764317 /nfs/dbraw/zinc/76/43/17/741764317.db2.gz UXTBXWGAJIPWPH-CHWSQXEVSA-N 1 2 346.435 0.099 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC(n3cc(C[NH2+]CC(=O)NCC)nn3)C2)C1 ZINC001105324144 741790523 /nfs/dbraw/zinc/79/05/23/741790523.db2.gz UGUZTLVWOBVBBT-UHFFFAOYSA-N 1 2 346.435 0.243 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)C3CC4(CC4)C3)C2)nn1 ZINC001105325278 741799605 /nfs/dbraw/zinc/79/96/05/741799605.db2.gz ILTJYZZFFCPARA-UHFFFAOYSA-N 1 2 343.431 0.591 20 30 ECEDLO O=C(Cn1cnnn1)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001006686011 751672345 /nfs/dbraw/zinc/67/23/45/751672345.db2.gz SFHRFRRMEZZSTA-MRXNPFEDSA-N 1 2 342.378 0.445 20 30 ECEDLO O=C(Cn1cnnn1)N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001006686011 751672350 /nfs/dbraw/zinc/67/23/50/751672350.db2.gz SFHRFRRMEZZSTA-MRXNPFEDSA-N 1 2 342.378 0.445 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccn(C)n2)CC1(C)C ZINC000974686501 742001944 /nfs/dbraw/zinc/00/19/44/742001944.db2.gz PFSAONFKFBYGMY-DLBZAZTESA-N 1 2 343.475 0.844 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccn(C)n2)CC1(C)C ZINC000974686501 742001950 /nfs/dbraw/zinc/00/19/50/742001950.db2.gz PFSAONFKFBYGMY-DLBZAZTESA-N 1 2 343.475 0.844 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc(CC)o2)C1 ZINC001026894004 742039561 /nfs/dbraw/zinc/03/95/61/742039561.db2.gz TVJWETJGBQKQJQ-CABCVRRESA-N 1 2 345.447 0.668 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc(CC)o2)C1 ZINC001026894004 742039572 /nfs/dbraw/zinc/03/95/72/742039572.db2.gz TVJWETJGBQKQJQ-CABCVRRESA-N 1 2 345.447 0.668 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc(CC)o2)C1 ZINC001026894005 742039784 /nfs/dbraw/zinc/03/97/84/742039784.db2.gz TVJWETJGBQKQJQ-GJZGRUSLSA-N 1 2 345.447 0.668 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc(CC)o2)C1 ZINC001026894005 742039793 /nfs/dbraw/zinc/03/97/93/742039793.db2.gz TVJWETJGBQKQJQ-GJZGRUSLSA-N 1 2 345.447 0.668 20 30 ECEDLO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)C1 ZINC000975697249 743231084 /nfs/dbraw/zinc/23/10/84/743231084.db2.gz IDSJRRCMKZWTTI-ULQDDVLXSA-N 1 2 345.443 0.180 20 30 ECEDLO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)C1 ZINC000975697249 743231088 /nfs/dbraw/zinc/23/10/88/743231088.db2.gz IDSJRRCMKZWTTI-ULQDDVLXSA-N 1 2 345.443 0.180 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)cn1 ZINC000997101593 743236351 /nfs/dbraw/zinc/23/63/51/743236351.db2.gz IXYXBJNRARUHOO-CYBMUJFWSA-N 1 2 349.394 0.463 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC000975826891 743333890 /nfs/dbraw/zinc/33/38/90/743333890.db2.gz XGZJNZFRXIEYPU-KKUMJFAQSA-N 1 2 329.404 0.882 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3n[nH]c(C)n3)[C@H]2C)C1=O ZINC001088560465 751830434 /nfs/dbraw/zinc/83/04/34/751830434.db2.gz RLCRFADWBWVHRT-KWCYVHTRSA-N 1 2 346.435 0.022 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3n[nH]c(C)n3)[C@H]2C)C1=O ZINC001088560465 751830438 /nfs/dbraw/zinc/83/04/38/751830438.db2.gz RLCRFADWBWVHRT-KWCYVHTRSA-N 1 2 346.435 0.022 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3csnn3)C2)nn1 ZINC001098695398 743549208 /nfs/dbraw/zinc/54/92/08/743549208.db2.gz VQDZKTRLDPDDGF-LBPRGKRZSA-N 1 2 331.405 0.330 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC(C[NH2+]Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000997625313 743717548 /nfs/dbraw/zinc/71/75/48/743717548.db2.gz VFCGKVHCWVMAEO-LBPRGKRZSA-N 1 2 342.403 0.510 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@H]3CCOC3)C2)nn1 ZINC001098641665 751859590 /nfs/dbraw/zinc/85/95/90/751859590.db2.gz WHSNQPAKDUNRJM-ZBFHGGJFSA-N 1 2 331.420 0.591 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H](C)C2CC[NH+](Cc3cnon3)CC2)nn1 ZINC000997788971 743812866 /nfs/dbraw/zinc/81/28/66/743812866.db2.gz LFJFOQWRPZRTDL-LBPRGKRZSA-N 1 2 345.407 0.878 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000976585764 744109320 /nfs/dbraw/zinc/10/93/20/744109320.db2.gz IYWVCZZROWCFPW-CTTHAOKLSA-N 1 2 344.415 0.506 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]31)C2 ZINC000976724328 744271136 /nfs/dbraw/zinc/27/11/36/744271136.db2.gz APKAQPHORCSMKE-APOSDKBFSA-N 1 2 341.415 0.556 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]31)CC2 ZINC000976724328 744271141 /nfs/dbraw/zinc/27/11/41/744271141.db2.gz APKAQPHORCSMKE-APOSDKBFSA-N 1 2 341.415 0.556 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N[C@@H]2[C@H]3CN(C(=O)C#CC4CC4)C[C@H]32)c[nH+]1 ZINC000976760147 744275345 /nfs/dbraw/zinc/27/53/45/744275345.db2.gz LSQPEOALFLSMKZ-QLPKVWCKSA-N 1 2 340.427 0.913 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cc[nH+]c2)nc1 ZINC000998948296 744422302 /nfs/dbraw/zinc/42/23/02/744422302.db2.gz KJYAJGWPVDHRCL-PVAVHDDUSA-N 1 2 349.394 0.821 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3ncoc3C)C2)C1=O ZINC001006873176 751924469 /nfs/dbraw/zinc/92/44/69/751924469.db2.gz UPPLJPBNOALSCS-ZIAGYGMSSA-N 1 2 332.404 0.964 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3ncoc3C)C2)C1=O ZINC001006873176 751924475 /nfs/dbraw/zinc/92/44/75/751924475.db2.gz UPPLJPBNOALSCS-ZIAGYGMSSA-N 1 2 332.404 0.964 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000977218514 744784188 /nfs/dbraw/zinc/78/41/88/744784188.db2.gz OZBAUWUQDZWAOB-MYMCGMNMSA-N 1 2 327.388 0.256 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001000021857 745192780 /nfs/dbraw/zinc/19/27/80/745192780.db2.gz IFEACJIMXAHBJI-YUELXQCFSA-N 1 2 332.404 0.752 20 30 ECEDLO CC#CCNCc1cn([C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)nn1 ZINC001098697629 745234293 /nfs/dbraw/zinc/23/42/93/745234293.db2.gz JUIUIZDYNCWZQQ-MRXNPFEDSA-N 1 2 341.419 0.451 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cccc(C)n2)[C@H](OC)C1 ZINC001211859761 745290680 /nfs/dbraw/zinc/29/06/80/745290680.db2.gz PGFBAJLGBZLUCQ-NUEKZKHPSA-N 1 2 346.431 0.510 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccc(C)n2)[C@H](OC)C1 ZINC001211859761 745290685 /nfs/dbraw/zinc/29/06/85/745290685.db2.gz PGFBAJLGBZLUCQ-NUEKZKHPSA-N 1 2 346.431 0.510 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3noc(CCC)n3)C2)nn1 ZINC001020700402 751990374 /nfs/dbraw/zinc/99/03/74/751990374.db2.gz PKMYJOXHZZOCIH-HAQNSBGRSA-N 1 2 345.407 0.850 20 30 ECEDLO Cc1cc(C#N)nc(N[C@H]2C[C@H](NC(=O)Cc3c[nH+]cn3C)C2)n1 ZINC001059261715 745483032 /nfs/dbraw/zinc/48/30/32/745483032.db2.gz QEJFOPPWMWOEPU-HAQNSBGRSA-N 1 2 325.376 0.692 20 30 ECEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 ZINC001083413256 745486040 /nfs/dbraw/zinc/48/60/40/745486040.db2.gz GEPVSNXUGARNGP-CABCVRRESA-N 1 2 329.360 0.466 20 30 ECEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 ZINC001083413256 745486042 /nfs/dbraw/zinc/48/60/42/745486042.db2.gz GEPVSNXUGARNGP-CABCVRRESA-N 1 2 329.360 0.466 20 30 ECEDLO COc1cccc(C[N@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)n1 ZINC001083413857 745530361 /nfs/dbraw/zinc/53/03/61/745530361.db2.gz AARQLQSFVLIDGN-CABCVRRESA-N 1 2 341.371 0.265 20 30 ECEDLO COc1cccc(C[N@@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)n1 ZINC001083413857 745530364 /nfs/dbraw/zinc/53/03/64/745530364.db2.gz AARQLQSFVLIDGN-CABCVRRESA-N 1 2 341.371 0.265 20 30 ECEDLO Cn1nncc1C[N@H+]1CC=C(CNC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001000595450 745624759 /nfs/dbraw/zinc/62/47/59/745624759.db2.gz IRHSSUKZMLNNOH-UHFFFAOYSA-N 1 2 325.376 0.577 20 30 ECEDLO Cn1nncc1C[N@@H+]1CC=C(CNC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001000595450 745624762 /nfs/dbraw/zinc/62/47/62/745624762.db2.gz IRHSSUKZMLNNOH-UHFFFAOYSA-N 1 2 325.376 0.577 20 30 ECEDLO CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000977912561 745665620 /nfs/dbraw/zinc/66/56/20/745665620.db2.gz ZRLDJLLTEQYNET-HOTGVXAUSA-N 1 2 340.427 0.918 20 30 ECEDLO N#Cc1cnc(N2C[C@H]3CC[C@@H](C2)N3C(=O)CCn2cc[nH+]c2)cn1 ZINC001058792921 745795642 /nfs/dbraw/zinc/79/56/42/745795642.db2.gz WJTCQDFSAAMCNO-GASCZTMLSA-N 1 2 337.387 0.815 20 30 ECEDLO Cn1cnnc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC000978027085 745826958 /nfs/dbraw/zinc/82/69/58/745826958.db2.gz GMRMWEAKPHOKGU-ZSOGYDGISA-N 1 2 325.376 0.123 20 30 ECEDLO Cn1cnnc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC000978027085 745826966 /nfs/dbraw/zinc/82/69/66/745826966.db2.gz GMRMWEAKPHOKGU-ZSOGYDGISA-N 1 2 325.376 0.123 20 30 ECEDLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000984120321 745855227 /nfs/dbraw/zinc/85/52/27/745855227.db2.gz ZRUVMOQYSHBETI-OAHLLOKOSA-N 1 2 340.387 0.915 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3nncn3C)C[C@H]21 ZINC000978169603 746003928 /nfs/dbraw/zinc/00/39/28/746003928.db2.gz SVEVERFBFIXIOI-SUJAAXHWSA-N 1 2 345.447 0.590 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nncn3C)C[C@H]21 ZINC000978169603 746003934 /nfs/dbraw/zinc/00/39/34/746003934.db2.gz SVEVERFBFIXIOI-SUJAAXHWSA-N 1 2 345.447 0.590 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)/C=C(/C)C2CC2)[C@H](OC)C1 ZINC001211947437 752077010 /nfs/dbraw/zinc/07/70/10/752077010.db2.gz WYQQWNUPTKWCLU-NKQZREKPSA-N 1 2 335.448 0.849 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)/C=C(/C)C2CC2)[C@H](OC)C1 ZINC001211947437 752077016 /nfs/dbraw/zinc/07/70/16/752077016.db2.gz WYQQWNUPTKWCLU-NKQZREKPSA-N 1 2 335.448 0.849 20 30 ECEDLO C=CC[N@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H]1CC ZINC001087765668 746306951 /nfs/dbraw/zinc/30/69/51/746306951.db2.gz LBBFFQNZWRMQFN-QWHCGFSZSA-N 1 2 330.392 0.226 20 30 ECEDLO C=CC[N@@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H]1CC ZINC001087765668 746306958 /nfs/dbraw/zinc/30/69/58/746306958.db2.gz LBBFFQNZWRMQFN-QWHCGFSZSA-N 1 2 330.392 0.226 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001001477187 746417026 /nfs/dbraw/zinc/41/70/26/746417026.db2.gz FXTCFHAORZYDJH-UHFFFAOYSA-N 1 2 326.360 0.051 20 30 ECEDLO N#Cc1cc(C(=O)NCC2CN(C(=O)CCc3c[nH]c[nH+]3)C2)c[nH]1 ZINC001001516178 746453551 /nfs/dbraw/zinc/45/35/51/746453551.db2.gz VNUYCKISUXRLHD-UHFFFAOYSA-N 1 2 326.360 0.430 20 30 ECEDLO N#Cc1cc(C(=O)NCC2CN(C(=O)CCc3c[nH+]c[nH]3)C2)c[nH]1 ZINC001001516178 746453552 /nfs/dbraw/zinc/45/35/52/746453552.db2.gz VNUYCKISUXRLHD-UHFFFAOYSA-N 1 2 326.360 0.430 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)[nH]1 ZINC000978738437 746634310 /nfs/dbraw/zinc/63/43/10/746634310.db2.gz OLVUHZROHQEOTK-BJHJDKERSA-N 1 2 326.360 0.408 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3CCF)CC[C@@H]2C1 ZINC001087911069 746645310 /nfs/dbraw/zinc/64/53/10/746645310.db2.gz JDOXRWMIGZCIKF-MJBXVCDLSA-N 1 2 334.399 0.688 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3CCF)CC[C@@H]2C1 ZINC001087911069 746645313 /nfs/dbraw/zinc/64/53/13/746645313.db2.gz JDOXRWMIGZCIKF-MJBXVCDLSA-N 1 2 334.399 0.688 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc4n3CCOC4)CC[C@@H]2C1 ZINC001087911297 746645577 /nfs/dbraw/zinc/64/55/77/746645577.db2.gz QBOOBFLPBCQSNX-MCIONIFRSA-N 1 2 344.419 0.248 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc4n3CCOC4)CC[C@@H]2C1 ZINC001087911297 746645579 /nfs/dbraw/zinc/64/55/79/746645579.db2.gz QBOOBFLPBCQSNX-MCIONIFRSA-N 1 2 344.419 0.248 20 30 ECEDLO Cn1cnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1 ZINC001087925421 746670523 /nfs/dbraw/zinc/67/05/23/746670523.db2.gz MCUTWGXTKQQJPN-KGLIPLIRSA-N 1 2 339.403 0.609 20 30 ECEDLO Cn1cnnc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1 ZINC001087925421 746670526 /nfs/dbraw/zinc/67/05/26/746670526.db2.gz MCUTWGXTKQQJPN-KGLIPLIRSA-N 1 2 339.403 0.609 20 30 ECEDLO N#Cc1nccc(N[C@H]2C[C@H](NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)n1 ZINC001059404964 746685054 /nfs/dbraw/zinc/68/50/54/746685054.db2.gz GYGPYFKJKDNYER-SRVKXCTJSA-N 1 2 337.387 0.672 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](CC)C(N)=O)c1 ZINC001029466649 746698410 /nfs/dbraw/zinc/69/84/10/746698410.db2.gz HSYLVXYAINDDBS-XHSDSOJGSA-N 1 2 326.400 0.616 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](CC)C(N)=O)c1 ZINC001029466649 746698415 /nfs/dbraw/zinc/69/84/15/746698415.db2.gz HSYLVXYAINDDBS-XHSDSOJGSA-N 1 2 326.400 0.616 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CC[C@@H](CCNC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001059424308 746873161 /nfs/dbraw/zinc/87/31/61/746873161.db2.gz WCMXEANZUXEMGO-CYBMUJFWSA-N 1 2 340.387 0.751 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CC[C@H](CCNC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC001059427360 746888399 /nfs/dbraw/zinc/88/83/99/746888399.db2.gz KPEQIFIOWDZFCE-LBPRGKRZSA-N 1 2 340.387 0.821 20 30 ECEDLO C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)c3[nH]ncc3F)C2)C1=O ZINC000984756443 746909154 /nfs/dbraw/zinc/90/91/54/746909154.db2.gz CBCOHZOXSUKDSC-GVXVVHGQSA-N 1 2 335.383 0.434 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001002224537 747099674 /nfs/dbraw/zinc/09/96/74/747099674.db2.gz SLWCUVFGYNFTHW-CVEARBPZSA-N 1 2 346.431 0.898 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001002224537 747099681 /nfs/dbraw/zinc/09/96/81/747099681.db2.gz SLWCUVFGYNFTHW-CVEARBPZSA-N 1 2 346.431 0.898 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)nc1 ZINC000979084787 747151074 /nfs/dbraw/zinc/15/10/74/747151074.db2.gz GZKFGVUCQPEHCZ-GASCZTMLSA-N 1 2 337.383 0.584 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)CC[C@@H]2C1 ZINC001088093089 747354626 /nfs/dbraw/zinc/35/46/26/747354626.db2.gz JDMJCWHLFOJABX-GLJUWKHASA-N 1 2 347.463 0.991 20 30 ECEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CN(C)C(C)=O ZINC001211894429 747541293 /nfs/dbraw/zinc/54/12/93/747541293.db2.gz MUEUIAKJMRHDRL-IAGOWNOFSA-N 1 2 344.415 0.352 20 30 ECEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CN(C)C(C)=O ZINC001211894429 747541296 /nfs/dbraw/zinc/54/12/96/747541296.db2.gz MUEUIAKJMRHDRL-IAGOWNOFSA-N 1 2 344.415 0.352 20 30 ECEDLO Cc1noc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)n1 ZINC000979295651 747558846 /nfs/dbraw/zinc/55/88/46/747558846.db2.gz RKDVTVAKHXNTHV-HZMBPMFUSA-N 1 2 344.375 0.597 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCO[C@H]3C(=C)C)C2)nn1 ZINC001105342760 747592202 /nfs/dbraw/zinc/59/22/02/747592202.db2.gz VFKFLICEMCPFAO-HOTGVXAUSA-N 1 2 329.404 0.365 20 30 ECEDLO C[C@@H](c1nncn1C)[NH+]1CCC(NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001002648598 747615783 /nfs/dbraw/zinc/61/57/83/747615783.db2.gz MJRLVNWCSRLGPH-NSHDSACASA-N 1 2 327.392 0.970 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)[nH]1 ZINC001002855230 747882575 /nfs/dbraw/zinc/88/25/75/747882575.db2.gz RSZKWRNBFRZNSP-CHWSQXEVSA-N 1 2 338.371 0.601 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)[nH]1 ZINC001002855230 747882583 /nfs/dbraw/zinc/88/25/83/747882583.db2.gz RSZKWRNBFRZNSP-CHWSQXEVSA-N 1 2 338.371 0.601 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC(CO[C@@H]2CCN(CC#N)C2)CC1 ZINC001088240154 747942862 /nfs/dbraw/zinc/94/28/62/747942862.db2.gz QISGHOYLDJSZNT-QGZVFWFLSA-N 1 2 345.447 0.816 20 30 ECEDLO Cn1ncnc1C[N@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001029712036 748138182 /nfs/dbraw/zinc/13/81/82/748138182.db2.gz IHLJUVLVQHDJPR-LBPRGKRZSA-N 1 2 327.392 0.609 20 30 ECEDLO Cn1ncnc1C[N@@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001029712036 748138183 /nfs/dbraw/zinc/13/81/83/748138183.db2.gz IHLJUVLVQHDJPR-LBPRGKRZSA-N 1 2 327.392 0.609 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2cnns2)C1 ZINC001029758163 748270345 /nfs/dbraw/zinc/27/03/45/748270345.db2.gz SRRYKAUFMNFFEV-ZBFHGGJFSA-N 1 2 347.488 0.916 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cnn(CC)n3)C2)C1=O ZINC001007292700 752261440 /nfs/dbraw/zinc/26/14/40/752261440.db2.gz YXPJURJPQZBQAI-DZGCQCFKSA-N 1 2 346.435 0.279 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cnn(CC)n3)C2)C1=O ZINC001007292700 752261443 /nfs/dbraw/zinc/26/14/43/752261443.db2.gz YXPJURJPQZBQAI-DZGCQCFKSA-N 1 2 346.435 0.279 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001003261647 748355883 /nfs/dbraw/zinc/35/58/83/748355883.db2.gz YLRXMYFAVRUJPF-LBPRGKRZSA-N 1 2 338.371 0.615 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001003296949 748391280 /nfs/dbraw/zinc/39/12/80/748391280.db2.gz UFUSPCQQWGUEFH-CJNGLKHVSA-N 1 2 348.447 0.222 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001003296949 748391288 /nfs/dbraw/zinc/39/12/88/748391288.db2.gz UFUSPCQQWGUEFH-CJNGLKHVSA-N 1 2 348.447 0.222 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3nnnn3C)C2)c1 ZINC001029834667 748667062 /nfs/dbraw/zinc/66/70/62/748667062.db2.gz HRCOIIZRBJVTAA-AWEZNQCLSA-N 1 2 339.403 0.181 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3nnnn3C)C2)c1 ZINC001029834667 748667068 /nfs/dbraw/zinc/66/70/68/748667068.db2.gz HRCOIIZRBJVTAA-AWEZNQCLSA-N 1 2 339.403 0.181 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](C)OCC(C)C)C2)nn1 ZINC001098631008 748794114 /nfs/dbraw/zinc/79/41/14/748794114.db2.gz ZGEWFNWHYFBOGP-HOCLYGCPSA-N 1 2 333.436 0.835 20 30 ECEDLO C=CCCn1cc(C(=O)NC2CC[NH+](Cc3ccn(C)n3)CC2)nn1 ZINC001003766250 748874093 /nfs/dbraw/zinc/87/40/93/748874093.db2.gz GAQQLTCDOIEYOG-UHFFFAOYSA-N 1 2 343.435 0.982 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3nncs3)C2)nn1 ZINC001029859315 748949540 /nfs/dbraw/zinc/94/95/40/748949540.db2.gz AXGDUSCZSSBUJT-GFCCVEGCSA-N 1 2 347.448 0.910 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H](C[N@H+](C)Cc3nncs3)C2)nn1 ZINC001029859315 748949544 /nfs/dbraw/zinc/94/95/44/748949544.db2.gz AXGDUSCZSSBUJT-GFCCVEGCSA-N 1 2 347.448 0.910 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3coc(C)n3)CC2)CC1 ZINC000985825293 749181657 /nfs/dbraw/zinc/18/16/57/749181657.db2.gz MICJYHHVTJVWSZ-UHFFFAOYSA-N 1 2 347.419 0.664 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3cn(C)cn3)CC2)CC1 ZINC000985827767 749188367 /nfs/dbraw/zinc/18/83/67/749188367.db2.gz BQVUATLIRBDJED-UHFFFAOYSA-N 1 2 346.435 0.102 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)Cc3ccc[nH]3)CC2)CC1 ZINC000985830462 749198610 /nfs/dbraw/zinc/19/86/10/749198610.db2.gz AQODRZYEEKRNQT-UHFFFAOYSA-N 1 2 345.447 0.625 20 30 ECEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCNC2=O)CC1 ZINC001004477855 749547955 /nfs/dbraw/zinc/54/79/55/749547955.db2.gz UMJDNZFMUMEJAN-OAHLLOKOSA-N 1 2 333.436 0.628 20 30 ECEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCNC2=O)CC1 ZINC001004477855 749547961 /nfs/dbraw/zinc/54/79/61/749547961.db2.gz UMJDNZFMUMEJAN-OAHLLOKOSA-N 1 2 333.436 0.628 20 30 ECEDLO C[C@@H]1[C@@H]([NH2+]Cc2nc(N(C)C)no2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000986130865 749598499 /nfs/dbraw/zinc/59/84/99/749598499.db2.gz HCOBABFBVFQJDX-PWSUYJOCSA-N 1 2 343.391 0.728 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3coc(C)c3)[C@@H](O)C2)C1=O ZINC001083427071 749633985 /nfs/dbraw/zinc/63/39/85/749633985.db2.gz MPJSZWDEGAGIAP-ILXRZTDVSA-N 1 2 333.388 0.150 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3coc(C)c3)[C@@H](O)C2)C1=O ZINC001083427071 749633989 /nfs/dbraw/zinc/63/39/89/749633989.db2.gz MPJSZWDEGAGIAP-ILXRZTDVSA-N 1 2 333.388 0.150 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3n[nH]c(C)c3C)C2)nn1 ZINC001098640106 750467972 /nfs/dbraw/zinc/46/79/72/750467972.db2.gz DKBPAWHLDKKBPE-AWEZNQCLSA-N 1 2 327.392 0.428 20 30 ECEDLO N#Cc1nccc(N[C@H]2C[C@@H](NC(=O)c3cccc4[nH+]ccn43)C2)n1 ZINC001059767120 750480543 /nfs/dbraw/zinc/48/05/43/750480543.db2.gz JCQRHWVNBWIAHE-TXEJJXNPSA-N 1 2 333.355 0.791 20 30 ECEDLO C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001058871947 750496021 /nfs/dbraw/zinc/49/60/21/750496021.db2.gz SVHPVUUKOOMBTI-HUUCEWRRSA-N 1 2 348.447 0.817 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nc(CC)no3)[C@@H]2C)nn1 ZINC000987131197 750516660 /nfs/dbraw/zinc/51/66/60/750516660.db2.gz CEFQUJFRVWEAAE-NWDGAFQWSA-N 1 2 345.407 0.802 20 30 ECEDLO C=CCn1cc(C(=O)NCCC[NH2+]Cc2nnsc2Cl)nn1 ZINC001167839104 750535685 /nfs/dbraw/zinc/53/56/85/750535685.db2.gz UACLCFLQJXCAHQ-UHFFFAOYSA-N 1 2 341.828 0.879 20 30 ECEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001028076795 750536634 /nfs/dbraw/zinc/53/66/34/750536634.db2.gz XWOOOMZBYAVGRD-QWRGUYRKSA-N 1 2 345.241 0.499 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001028076795 750536637 /nfs/dbraw/zinc/53/66/37/750536637.db2.gz XWOOOMZBYAVGRD-QWRGUYRKSA-N 1 2 345.241 0.499 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]nc3C3CC3)C2)nn1 ZINC001105356462 750557388 /nfs/dbraw/zinc/55/73/88/750557388.db2.gz SJQHPGFPBZRUEA-UHFFFAOYSA-N 1 2 325.376 0.299 20 30 ECEDLO Cc1nc(NC[C@@H](O)CNC(=O)C#CC2CC2)c2c([nH+]1)CCCC2 ZINC001105825854 762076949 /nfs/dbraw/zinc/07/69/49/762076949.db2.gz RRKBEIUJHOTQQO-AWEZNQCLSA-N 1 2 328.416 0.966 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCO[C@@H](C(C)C)C3)C2)nn1 ZINC001105357642 750939031 /nfs/dbraw/zinc/93/90/31/750939031.db2.gz IBHYFPOCERVWIK-RHSMWYFYSA-N 1 2 345.447 0.835 20 30 ECEDLO C=CCn1cc(C(=O)N(C)C2CC[NH+](Cc3ccn(C)n3)CC2)nn1 ZINC001006104518 751019262 /nfs/dbraw/zinc/01/92/62/751019262.db2.gz QOSWHMPEIDGDAJ-UHFFFAOYSA-N 1 2 343.435 0.934 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001028140109 751192029 /nfs/dbraw/zinc/19/20/29/751192029.db2.gz IMWUMTWRWGJJIM-OAGGEKHMSA-N 1 2 344.390 0.899 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001028140109 751192032 /nfs/dbraw/zinc/19/20/32/751192032.db2.gz IMWUMTWRWGJJIM-OAGGEKHMSA-N 1 2 344.390 0.899 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001028150018 751253736 /nfs/dbraw/zinc/25/37/36/751253736.db2.gz MIVWJHWBZXNIMQ-CHWSQXEVSA-N 1 2 338.843 0.959 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001028150018 751253739 /nfs/dbraw/zinc/25/37/39/751253739.db2.gz MIVWJHWBZXNIMQ-CHWSQXEVSA-N 1 2 338.843 0.959 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC[N@@H+]([C@@H]3CCN(C)C3=O)CC2)c1 ZINC000981923503 751271209 /nfs/dbraw/zinc/27/12/09/751271209.db2.gz UUCFUGWMYOEFIH-MRXNPFEDSA-N 1 2 326.400 0.442 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC[N@H+]([C@@H]3CCN(C)C3=O)CC2)c1 ZINC000981923503 751271215 /nfs/dbraw/zinc/27/12/15/751271215.db2.gz UUCFUGWMYOEFIH-MRXNPFEDSA-N 1 2 326.400 0.442 20 30 ECEDLO C[C@@H]1C[C@@H]([NH2+]Cc2nc(N(C)C)no2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC000988612811 752377962 /nfs/dbraw/zinc/37/79/62/752377962.db2.gz NARLTVSJRCHHJF-ZWNOBZJWSA-N 1 2 343.391 0.728 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001007463685 752412444 /nfs/dbraw/zinc/41/24/44/752412444.db2.gz KDTFDAZKJOXJNB-GFCCVEGCSA-N 1 2 335.857 0.355 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2CCCS2(=O)=O)C1 ZINC001007463685 752412446 /nfs/dbraw/zinc/41/24/46/752412446.db2.gz KDTFDAZKJOXJNB-GFCCVEGCSA-N 1 2 335.857 0.355 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)c3cccnc3)C2)nn1 ZINC001105365111 752442946 /nfs/dbraw/zinc/44/29/46/752442946.db2.gz HMJDDVLNAPCCIW-CQSZACIVSA-N 1 2 338.415 0.973 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CCC3CC3)[C@H](OC)C2)C1=O ZINC001212060281 752455328 /nfs/dbraw/zinc/45/53/28/752455328.db2.gz TVKAKEXPYZJIJV-BZUAXINKSA-N 1 2 335.448 0.779 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CCC3CC3)[C@H](OC)C2)C1=O ZINC001212060281 752455333 /nfs/dbraw/zinc/45/53/33/752455333.db2.gz TVKAKEXPYZJIJV-BZUAXINKSA-N 1 2 335.448 0.779 20 30 ECEDLO C[C@@H]1C[C@@H]([NH2+]Cc2nc(N(C)C)no2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC000988656431 752494393 /nfs/dbraw/zinc/49/43/93/752494393.db2.gz RHHBWHCYNAQGLR-ZYHUDNBSSA-N 1 2 343.391 0.728 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000938036427 752704967 /nfs/dbraw/zinc/70/49/67/752704967.db2.gz GJNXEGOSGVUPIF-LZWOXQAQSA-N 1 2 346.431 0.959 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccccc2)[C@H](OC)C1 ZINC001211780218 752710587 /nfs/dbraw/zinc/71/05/87/752710587.db2.gz XQDHMJKGJHHHKG-FVQBIDKESA-N 1 2 331.416 0.806 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccccc2)[C@H](OC)C1 ZINC001211780218 752710592 /nfs/dbraw/zinc/71/05/92/752710592.db2.gz XQDHMJKGJHHHKG-FVQBIDKESA-N 1 2 331.416 0.806 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cc(OC)ccn2)C[C@H]1OC ZINC001212178242 752785608 /nfs/dbraw/zinc/78/56/08/752785608.db2.gz OFNRKWCUHUGGTA-JFIYKMOQSA-N 1 2 349.431 0.733 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2cc(OC)ccn2)C[C@H]1OC ZINC001212178242 752785613 /nfs/dbraw/zinc/78/56/13/752785613.db2.gz OFNRKWCUHUGGTA-JFIYKMOQSA-N 1 2 349.431 0.733 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1OC ZINC001212178311 752822514 /nfs/dbraw/zinc/82/25/14/752822514.db2.gz QYFIMVKSMOQNDF-PBFPGSCMSA-N 1 2 341.452 0.044 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1OC ZINC001212178311 752822519 /nfs/dbraw/zinc/82/25/19/752822519.db2.gz QYFIMVKSMOQNDF-PBFPGSCMSA-N 1 2 341.452 0.044 20 30 ECEDLO COCc1noc(C[N@@H+]2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001028489201 752825538 /nfs/dbraw/zinc/82/55/38/752825538.db2.gz WGSVKKHNCCCNKQ-NSHDSACASA-N 1 2 344.375 0.668 20 30 ECEDLO COCc1noc(C[N@H+]2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001028489201 752825547 /nfs/dbraw/zinc/82/55/47/752825547.db2.gz WGSVKKHNCCCNKQ-NSHDSACASA-N 1 2 344.375 0.668 20 30 ECEDLO O=C(C#CC1CC1)N1CCO[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001007711847 752845976 /nfs/dbraw/zinc/84/59/76/752845976.db2.gz YLZOLCJMQKIUTG-SFHVURJKSA-N 1 2 342.399 0.196 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)COc3ccc(C)cc3)C2)nn1 ZINC001105369817 753012587 /nfs/dbraw/zinc/01/25/87/753012587.db2.gz MGPMMYFSFXZSQD-UHFFFAOYSA-N 1 2 339.399 0.772 20 30 ECEDLO CC(C)Cc1noc(C[NH2+]C[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n1 ZINC001051494854 762206705 /nfs/dbraw/zinc/20/67/05/762206705.db2.gz OCTAPCGKEQXOEL-STQMWFEESA-N 1 2 335.408 0.745 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2nn(C)cc2Cl)C1 ZINC001051494982 762207428 /nfs/dbraw/zinc/20/74/28/762207428.db2.gz PSPGKPAGKMFJTF-WDEREUQCSA-N 1 2 325.800 0.550 20 30 ECEDLO C=C(C)CCC(=O)N1CC[C@@H](n2cc(C[NH2+]CC(=O)N(C)C)nn2)C1 ZINC001098680355 753397945 /nfs/dbraw/zinc/39/79/45/753397945.db2.gz FOIWYUZZBOVXOB-OAHLLOKOSA-N 1 2 348.451 0.586 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000982738884 753448512 /nfs/dbraw/zinc/44/85/12/753448512.db2.gz HTCZIXUDKVQKKY-HZPDHXFCSA-N 1 2 340.427 0.824 20 30 ECEDLO CCc1cc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)[nH]n1 ZINC001083346411 753624291 /nfs/dbraw/zinc/62/42/91/753624291.db2.gz JDGQHOSJRPVIAE-MSOLQXFVSA-N 1 2 338.411 0.799 20 30 ECEDLO CCc1cc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)[nH]n1 ZINC001083346411 753624295 /nfs/dbraw/zinc/62/42/95/753624295.db2.gz JDGQHOSJRPVIAE-MSOLQXFVSA-N 1 2 338.411 0.799 20 30 ECEDLO O=C(C[C@H]1CCCO1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083351848 753645393 /nfs/dbraw/zinc/64/53/93/753645393.db2.gz PWJVLFVYJCIFMV-KURKYZTESA-N 1 2 328.412 0.769 20 30 ECEDLO O=C(C[C@H]1CCCO1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083351848 753645401 /nfs/dbraw/zinc/64/54/01/753645401.db2.gz PWJVLFVYJCIFMV-KURKYZTESA-N 1 2 328.412 0.769 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001008369781 753665879 /nfs/dbraw/zinc/66/58/79/753665879.db2.gz CYTMDVJKSQCGQP-GJZGRUSLSA-N 1 2 327.388 0.320 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001008369781 753665885 /nfs/dbraw/zinc/66/58/85/753665885.db2.gz CYTMDVJKSQCGQP-GJZGRUSLSA-N 1 2 327.388 0.320 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)onc3CC)C2)nn1 ZINC001105372435 753677209 /nfs/dbraw/zinc/67/72/09/753677209.db2.gz GVURNEAWHYGANW-UHFFFAOYSA-N 1 2 342.403 0.947 20 30 ECEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CNC(=O)N1 ZINC001008378443 753678654 /nfs/dbraw/zinc/67/86/54/753678654.db2.gz WTGGEOMSOJDRMS-HOTGVXAUSA-N 1 2 344.390 0.439 20 30 ECEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CNC(=O)N1 ZINC001008378443 753678662 /nfs/dbraw/zinc/67/86/62/753678662.db2.gz WTGGEOMSOJDRMS-HOTGVXAUSA-N 1 2 344.390 0.439 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnc(C4CC4)o3)C2)nn1 ZINC001098683038 753692462 /nfs/dbraw/zinc/69/24/62/753692462.db2.gz OBUUNYDUHVVAMG-CQSZACIVSA-N 1 2 340.387 0.954 20 30 ECEDLO CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)cn1 ZINC001083375788 753724514 /nfs/dbraw/zinc/72/45/14/753724514.db2.gz PSFTUTOESUBYRI-SJORKVTESA-N 1 2 339.399 0.750 20 30 ECEDLO CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)cn1 ZINC001083375788 753724517 /nfs/dbraw/zinc/72/45/17/753724517.db2.gz PSFTUTOESUBYRI-SJORKVTESA-N 1 2 339.399 0.750 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001083397281 753814308 /nfs/dbraw/zinc/81/43/08/753814308.db2.gz ZYQASTJLQBEJHL-CVEARBPZSA-N 1 2 338.367 0.634 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@@H](O)C1 ZINC001083397281 753814313 /nfs/dbraw/zinc/81/43/13/753814313.db2.gz ZYQASTJLQBEJHL-CVEARBPZSA-N 1 2 338.367 0.634 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)cn1 ZINC001014100248 762246883 /nfs/dbraw/zinc/24/68/83/762246883.db2.gz IOPQFPIVMSCACQ-WBMJQRKESA-N 1 2 337.383 0.748 20 30 ECEDLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001008547549 753898842 /nfs/dbraw/zinc/89/88/42/753898842.db2.gz OPZYLJPYCDTAAQ-ZACQAIPSSA-N 1 2 343.402 0.879 20 30 ECEDLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001008547549 753898850 /nfs/dbraw/zinc/89/88/50/753898850.db2.gz OPZYLJPYCDTAAQ-ZACQAIPSSA-N 1 2 343.402 0.879 20 30 ECEDLO C#CCOc1ncccc1C(=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000989508397 754050523 /nfs/dbraw/zinc/05/05/23/754050523.db2.gz GFLTZOFMHSDFNC-OAHLLOKOSA-N 1 2 342.399 0.130 20 30 ECEDLO C#CCOc1ncccc1C(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000989508397 754050527 /nfs/dbraw/zinc/05/05/27/754050527.db2.gz GFLTZOFMHSDFNC-OAHLLOKOSA-N 1 2 342.399 0.130 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+]([C@@H](C)C(=O)NC3CC3)CC2)cn1 ZINC000989512236 754063311 /nfs/dbraw/zinc/06/33/11/754063311.db2.gz BCWKTYHRAXRVOG-AWEZNQCLSA-N 1 2 340.427 0.878 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@H+]([C@@H](C)C(=O)NC3CC3)CC2)cn1 ZINC000989512236 754063314 /nfs/dbraw/zinc/06/33/14/754063314.db2.gz BCWKTYHRAXRVOG-AWEZNQCLSA-N 1 2 340.427 0.878 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@@H](C)C(N)=O)C2)cc1 ZINC001008793517 754124618 /nfs/dbraw/zinc/12/46/18/754124618.db2.gz UWKIKUKXNPQXDP-ZFWWWQNUSA-N 1 2 329.400 0.767 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)C(N)=O)C2)cc1 ZINC001008793517 754124620 /nfs/dbraw/zinc/12/46/20/754124620.db2.gz UWKIKUKXNPQXDP-ZFWWWQNUSA-N 1 2 329.400 0.767 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CCO[C@@H](C[NH2+]Cc3cnsn3)C2)c1 ZINC001051524079 762274995 /nfs/dbraw/zinc/27/49/95/762274995.db2.gz PTRWHPKXLDQZNE-LBPRGKRZSA-N 1 2 332.389 0.369 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)[nH]1 ZINC000983186997 754817528 /nfs/dbraw/zinc/81/75/28/754817528.db2.gz WYCMNWFHRLKGHG-LLVKDONJSA-N 1 2 326.360 0.430 20 30 ECEDLO Cn1cc(C[N@@H+]2CC[C@]3(NC(=O)c4c[nH]c(C#N)c4)CCC[C@H]23)nn1 ZINC000990288445 754925922 /nfs/dbraw/zinc/92/59/22/754925922.db2.gz LNDIBCGGBSZXBG-DOTOQJQBSA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1cc(C[N@H+]2CC[C@]3(NC(=O)c4c[nH]c(C#N)c4)CCC[C@H]23)nn1 ZINC000990288445 754925925 /nfs/dbraw/zinc/92/59/25/754925925.db2.gz LNDIBCGGBSZXBG-DOTOQJQBSA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1cc(C[N@@H+]2CC[C@@]3(NC(=O)c4ccc(C#N)[nH]4)CCC[C@@H]23)nn1 ZINC000990275151 754929537 /nfs/dbraw/zinc/92/95/37/754929537.db2.gz FCWXPOTYHCWNRT-WBVHZDCISA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1cc(C[N@H+]2CC[C@@]3(NC(=O)c4ccc(C#N)[nH]4)CCC[C@@H]23)nn1 ZINC000990275151 754929544 /nfs/dbraw/zinc/92/95/44/754929544.db2.gz FCWXPOTYHCWNRT-WBVHZDCISA-N 1 2 339.403 0.942 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000990431095 755162863 /nfs/dbraw/zinc/16/28/63/755162863.db2.gz OVKRFTXYNAVFCO-YGRLFVJLSA-N 1 2 326.360 0.571 20 30 ECEDLO Cn1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)nn1 ZINC001075709331 755193685 /nfs/dbraw/zinc/19/36/85/755193685.db2.gz FRNAVMPZNUOWQY-XHDPSFHLSA-N 1 2 325.376 0.361 20 30 ECEDLO Cn1cc(C[N@H+]2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)nn1 ZINC001075709331 755193690 /nfs/dbraw/zinc/19/36/90/755193690.db2.gz FRNAVMPZNUOWQY-XHDPSFHLSA-N 1 2 325.376 0.361 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1O ZINC001083470487 755284722 /nfs/dbraw/zinc/28/47/22/755284722.db2.gz VRYVDDLJRGCZDM-NCOADZHNSA-N 1 2 331.416 0.724 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1O ZINC001083470487 755284728 /nfs/dbraw/zinc/28/47/28/755284728.db2.gz VRYVDDLJRGCZDM-NCOADZHNSA-N 1 2 331.416 0.724 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3nonc3C)C2)nn1 ZINC001028854207 755314232 /nfs/dbraw/zinc/31/42/32/755314232.db2.gz DSSCTDJDUQFNES-CYBMUJFWSA-N 1 2 345.407 0.798 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3nonc3C)C2)nn1 ZINC001028854207 755314237 /nfs/dbraw/zinc/31/42/37/755314237.db2.gz DSSCTDJDUQFNES-CYBMUJFWSA-N 1 2 345.407 0.798 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000983370743 755442643 /nfs/dbraw/zinc/44/26/43/755442643.db2.gz SNWQYBNZRNXUIQ-QRTARXTBSA-N 1 2 346.431 0.898 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ccn(C)c3)C2)nn1 ZINC001098655922 755651073 /nfs/dbraw/zinc/65/10/73/755651073.db2.gz JZXWOCNDVWDLPP-INIZCTEOSA-N 1 2 326.404 0.817 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3c(C)noc3C)C2)C1=O ZINC001010128179 755690042 /nfs/dbraw/zinc/69/00/42/755690042.db2.gz AWHITIBIMQXRFW-UONOGXRCSA-N 1 2 332.404 0.882 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3c(C)noc3C)C2)C1=O ZINC001010128179 755690046 /nfs/dbraw/zinc/69/00/46/755690046.db2.gz AWHITIBIMQXRFW-UONOGXRCSA-N 1 2 332.404 0.882 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3COCCO3)C2)c(F)c1 ZINC001010258423 755896554 /nfs/dbraw/zinc/89/65/54/755896554.db2.gz UAUJSAMPZBNMTP-GOEBONIOSA-N 1 2 333.363 0.803 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3COCCO3)C2)c(F)c1 ZINC001010258423 755896558 /nfs/dbraw/zinc/89/65/58/755896558.db2.gz UAUJSAMPZBNMTP-GOEBONIOSA-N 1 2 333.363 0.803 20 30 ECEDLO C[C@H]1C[C@H](CNC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001010326569 756002202 /nfs/dbraw/zinc/00/22/02/756002202.db2.gz BITSHTUFKYZEQI-WCQYABFASA-N 1 2 340.387 0.819 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnnc(C)c3)C2)nn1 ZINC001098661281 756026254 /nfs/dbraw/zinc/02/62/54/756026254.db2.gz IMZGFVNWCDSHTI-HNNXBMFYSA-N 1 2 325.376 0.187 20 30 ECEDLO C#CCCCCC(=O)N1CC[C@H](n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001098661790 756106758 /nfs/dbraw/zinc/10/67/58/756106758.db2.gz SETGRHZOCATLQP-HIFRSBDPSA-N 1 2 346.435 0.209 20 30 ECEDLO COc1ncc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)c(C)n1 ZINC001010673226 756381255 /nfs/dbraw/zinc/38/12/55/756381255.db2.gz YIWRNYXSWGRYSW-AWEZNQCLSA-N 1 2 340.387 0.998 20 30 ECEDLO COc1ncc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)c(C)n1 ZINC001010673226 756381256 /nfs/dbraw/zinc/38/12/56/756381256.db2.gz YIWRNYXSWGRYSW-AWEZNQCLSA-N 1 2 340.387 0.998 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010690908 756403649 /nfs/dbraw/zinc/40/36/49/756403649.db2.gz KUAYUBSJTWYCQU-QZTJIDSGSA-N 1 2 345.418 0.698 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010690908 756403653 /nfs/dbraw/zinc/40/36/53/756403653.db2.gz KUAYUBSJTWYCQU-QZTJIDSGSA-N 1 2 345.418 0.698 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ncccc3O)C2)C1=O ZINC001010729415 756452837 /nfs/dbraw/zinc/45/28/37/756452837.db2.gz BCPCBVXESMOPJN-QWHCGFSZSA-N 1 2 330.388 0.378 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ncccc3O)C2)C1=O ZINC001010729415 756452841 /nfs/dbraw/zinc/45/28/41/756452841.db2.gz BCPCBVXESMOPJN-QWHCGFSZSA-N 1 2 330.388 0.378 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[C@H](n2cc(C[NH2+]CC#CC)nn2)C1 ZINC001098664038 756660182 /nfs/dbraw/zinc/66/01/82/756660182.db2.gz KYNOWXSCCGGECC-RDJZCZTQSA-N 1 2 331.420 0.492 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)c1ccc(=O)[nH]n1 ZINC001076713118 756904335 /nfs/dbraw/zinc/90/43/35/756904335.db2.gz KSWLVNTUNFHMHB-HZPDHXFCSA-N 1 2 338.367 0.009 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)c1ccc(=O)[nH]n1 ZINC001076713118 756904337 /nfs/dbraw/zinc/90/43/37/756904337.db2.gz KSWLVNTUNFHMHB-HZPDHXFCSA-N 1 2 338.367 0.009 20 30 ECEDLO N#Cc1cc(C(=O)NC2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)c[nH]1 ZINC000990932114 756913013 /nfs/dbraw/zinc/91/30/13/756913013.db2.gz JJKJRAUMVCVQDJ-NSHDSACASA-N 1 2 338.371 0.286 20 30 ECEDLO N#Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCCO3)C2)ccc1F ZINC001076757611 756976527 /nfs/dbraw/zinc/97/65/27/756976527.db2.gz ANJRBERKGXIMRO-USXIJHARSA-N 1 2 347.390 0.928 20 30 ECEDLO N#Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCCO3)C2)ccc1F ZINC001076757611 756976533 /nfs/dbraw/zinc/97/65/33/756976533.db2.gz ANJRBERKGXIMRO-USXIJHARSA-N 1 2 347.390 0.928 20 30 ECEDLO C=CCCC(=O)NCc1cn(C2CN(Cc3c[nH+]cn3C)C2)nn1 ZINC001107142884 757013507 /nfs/dbraw/zinc/01/35/07/757013507.db2.gz UTDFMIRHDDJYAD-UHFFFAOYSA-N 1 2 329.408 0.651 20 30 ECEDLO C=CCn1cc(C(=O)N2CCN(C(=O)CCn3cc[nH+]c3)CC2)nn1 ZINC001011155384 757048954 /nfs/dbraw/zinc/04/89/54/757048954.db2.gz OEECQVFYYTUDHP-UHFFFAOYSA-N 1 2 343.391 0.035 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC/C=C\CNc1ncnc2c1C[N@H+](C)CC2 ZINC001107148565 757082245 /nfs/dbraw/zinc/08/22/45/757082245.db2.gz MCTRKDGMWJGDSB-XFHJGTJQSA-N 1 2 345.447 0.876 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC/C=C\CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001107148565 757082251 /nfs/dbraw/zinc/08/22/51/757082251.db2.gz MCTRKDGMWJGDSB-XFHJGTJQSA-N 1 2 345.447 0.876 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCCOCC=C)nn2)C1 ZINC001107153246 757116811 /nfs/dbraw/zinc/11/68/11/757116811.db2.gz ZECOQNBAYYJJRV-UHFFFAOYSA-N 1 2 331.420 0.757 20 30 ECEDLO N#Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)ccc1F ZINC001076791627 757129925 /nfs/dbraw/zinc/12/99/25/757129925.db2.gz CBOOGHRBUBJWDC-DAXOMENPSA-N 1 2 333.363 0.395 20 30 ECEDLO N#Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)ccc1F ZINC001076791627 757129931 /nfs/dbraw/zinc/12/99/31/757129931.db2.gz CBOOGHRBUBJWDC-DAXOMENPSA-N 1 2 333.363 0.395 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001011193468 757166329 /nfs/dbraw/zinc/16/63/29/757166329.db2.gz YDWBCWUOHHUSDY-RDJZCZTQSA-N 1 2 346.431 0.925 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)Cc3ccoc3)nn2)C1 ZINC001107163921 757197171 /nfs/dbraw/zinc/19/71/71/757197171.db2.gz HRHQIWSGIYCGIK-UHFFFAOYSA-N 1 2 345.403 0.789 20 30 ECEDLO CC(C)C#CC(=O)NCc1cn(C2C[NH+](CCOCC3CC3)C2)nn1 ZINC001107169479 757206811 /nfs/dbraw/zinc/20/68/11/757206811.db2.gz KGUYADJTFLQSKK-UHFFFAOYSA-N 1 2 345.447 0.837 20 30 ECEDLO C=C(C)CC[NH+]1CC(n2cc(CNC(=O)Cc3n[nH]c(C)n3)nn2)C1 ZINC001107170662 757209243 /nfs/dbraw/zinc/20/92/43/757209243.db2.gz ADMAWYNLDLMHAR-UHFFFAOYSA-N 1 2 344.423 0.386 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@H]12 ZINC001014343604 762530614 /nfs/dbraw/zinc/53/06/14/762530614.db2.gz OBEXCKMMPFZVMZ-IFIJOSMWSA-N 1 2 329.404 0.762 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCc3ccn(C)n3)nn2)C1 ZINC001107176880 757258991 /nfs/dbraw/zinc/25/89/91/757258991.db2.gz RIWGVBPUYNJCPY-UHFFFAOYSA-N 1 2 343.435 0.693 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@]3(C)CCO[C@H]3C)nn2)C1 ZINC001107186961 757387815 /nfs/dbraw/zinc/38/78/15/757387815.db2.gz HREZEUQGGSRXGB-SUMWQHHRSA-N 1 2 331.420 0.589 20 30 ECEDLO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001048916036 757398070 /nfs/dbraw/zinc/39/80/70/757398070.db2.gz FDCAUONCCRVFIZ-KBMXLJTQSA-N 1 2 346.431 0.422 20 30 ECEDLO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001048916036 757398080 /nfs/dbraw/zinc/39/80/80/757398080.db2.gz FDCAUONCCRVFIZ-KBMXLJTQSA-N 1 2 346.431 0.422 20 30 ECEDLO Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC001076855629 757398453 /nfs/dbraw/zinc/39/84/53/757398453.db2.gz FFLPKAYWHATHEW-ZIAGYGMSSA-N 1 2 329.360 0.466 20 30 ECEDLO Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC001076855629 757398461 /nfs/dbraw/zinc/39/84/61/757398461.db2.gz FFLPKAYWHATHEW-ZIAGYGMSSA-N 1 2 329.360 0.466 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3c[nH]nc3C)nn2)C1 ZINC001107189621 757427675 /nfs/dbraw/zinc/42/76/75/757427675.db2.gz DQFFQFCPFLLTJI-UHFFFAOYSA-N 1 2 345.407 0.299 20 30 ECEDLO CCn1nccc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001076923957 757609815 /nfs/dbraw/zinc/60/98/15/757609815.db2.gz REFVJMMJVUXVLK-UKRRQHHQSA-N 1 2 345.428 0.811 20 30 ECEDLO CCn1nccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001076923957 757609821 /nfs/dbraw/zinc/60/98/21/757609821.db2.gz REFVJMMJVUXVLK-UKRRQHHQSA-N 1 2 345.428 0.811 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C(=O)N3CCC[C@@H](C)C3)nn2)C1 ZINC001107217774 757824708 /nfs/dbraw/zinc/82/47/08/757824708.db2.gz ZECUTZLVCVDZCK-CYBMUJFWSA-N 1 2 346.435 0.196 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CC[C@H]3CCCOC3)nn2)C1 ZINC001107224818 757926229 /nfs/dbraw/zinc/92/62/29/757926229.db2.gz DIWFXBFMVVTQSY-OAHLLOKOSA-N 1 2 345.447 0.981 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)COCCCOC)nn2)C1 ZINC001107227610 757982473 /nfs/dbraw/zinc/98/24/73/757982473.db2.gz NCDUECLTEOSVBL-UHFFFAOYSA-N 1 2 337.424 0.380 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](NC(N)=O)C(C)(C)C)nn2)C1 ZINC001107229050 757989938 /nfs/dbraw/zinc/98/99/38/757989938.db2.gz AGAICFFAXRPBGR-ZDUSSCGKSA-N 1 2 349.439 0.020 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](C)c3cnn(C)c3)nn2)C1 ZINC001107243634 758003557 /nfs/dbraw/zinc/00/35/57/758003557.db2.gz DALHJSZLNXQTKM-GFCCVEGCSA-N 1 2 329.408 0.474 20 30 ECEDLO C=CCC1(C(=O)NCc2cn(C3C[NH+](CCO)C3)nn2)CCCC1 ZINC001107244043 758005073 /nfs/dbraw/zinc/00/50/73/758005073.db2.gz OAYFPCBJOSTKQU-UHFFFAOYSA-N 1 2 333.436 0.880 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)OCCOCC)nn2)C1 ZINC001107238617 758032302 /nfs/dbraw/zinc/03/23/02/758032302.db2.gz HGGXGEKSCMFPGQ-AWEZNQCLSA-N 1 2 349.435 0.216 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCn3cc(C)cn3)nn2)C1 ZINC001107238748 758033385 /nfs/dbraw/zinc/03/33/85/758033385.db2.gz NRKRXJPGCWNKPK-UHFFFAOYSA-N 1 2 343.435 0.922 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CNC(=O)C3CCC3)nn2)C1 ZINC001107238661 758033983 /nfs/dbraw/zinc/03/39/83/758033983.db2.gz JMHKAQLADZGRRB-UHFFFAOYSA-N 1 2 346.435 0.243 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001049125713 758044301 /nfs/dbraw/zinc/04/43/01/758044301.db2.gz HKYLDJLFSDTGPO-PMPSAXMXSA-N 1 2 348.447 0.906 20 30 ECEDLO C=CCCOCC(=O)NCC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001077062717 758068887 /nfs/dbraw/zinc/06/88/87/758068887.db2.gz GRPBOHRMBVGBGI-AWEZNQCLSA-N 1 2 336.436 0.956 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001011626136 758161411 /nfs/dbraw/zinc/16/14/11/758161411.db2.gz QWUIFXMVMFTHOX-DGCLKSJQSA-N 1 2 326.360 0.502 20 30 ECEDLO C[C@@H](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)NC(=O)C#CC1CC1 ZINC001077116608 758229187 /nfs/dbraw/zinc/22/91/87/758229187.db2.gz ULJCDGLINGCHBY-ZFWWWQNUSA-N 1 2 328.416 0.870 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001077185913 758447360 /nfs/dbraw/zinc/44/73/60/758447360.db2.gz WVGIWFIZJBBOLI-DZGCQCFKSA-N 1 2 349.435 0.365 20 30 ECEDLO N#Cc1ccc(NC/C=C\CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)nn1 ZINC001107393272 758449026 /nfs/dbraw/zinc/44/90/26/758449026.db2.gz BKBACEPAEMOBSR-UIIMQBOASA-N 1 2 337.387 0.892 20 30 ECEDLO N#Cc1ccc(NC/C=C\CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)nn1 ZINC001107395357 758454061 /nfs/dbraw/zinc/45/40/61/758454061.db2.gz YMGJEHQQRQZAQV-UIIMQBOASA-N 1 2 337.387 0.892 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1O ZINC001049268525 758460477 /nfs/dbraw/zinc/46/04/77/758460477.db2.gz OQCXVHPAHONXPQ-RCBQFDQVSA-N 1 2 348.447 0.893 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1O ZINC001049268657 758460908 /nfs/dbraw/zinc/46/09/08/758460908.db2.gz QSYTUQXICZVGPB-KKUMJFAQSA-N 1 2 348.447 0.975 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)nc1 ZINC001022294309 758531866 /nfs/dbraw/zinc/53/18/66/758531866.db2.gz BGWQKQAZQXTQCI-DOTOQJQBSA-N 1 2 349.394 0.633 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001011930470 758979888 /nfs/dbraw/zinc/97/98/88/758979888.db2.gz MQZDMMMVEDJXMZ-GXTWGEPZSA-N 1 2 340.387 0.892 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001011930757 758981194 /nfs/dbraw/zinc/98/11/94/758981194.db2.gz NTJUJPWBNCUKCZ-SWLSCSKDSA-N 1 2 340.387 0.892 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC001011943027 759015728 /nfs/dbraw/zinc/01/57/28/759015728.db2.gz MRXSZQMPXVPVHX-BXUZGUMPSA-N 1 2 340.387 0.880 20 30 ECEDLO C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001022861902 759200129 /nfs/dbraw/zinc/20/01/29/759200129.db2.gz LCBAWRDBYHKNFR-AOOOYVTPSA-N 1 2 336.783 0.061 20 30 ECEDLO N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001049908306 759391843 /nfs/dbraw/zinc/39/18/43/759391843.db2.gz HNOCLSVMZXBRJI-GVDBMIGSSA-N 1 2 332.448 0.686 20 30 ECEDLO Cc1nc(N(C)C)nc(NC/C=C\CNC(=O)CSCC#N)[nH+]1 ZINC001107049726 759543230 /nfs/dbraw/zinc/54/32/30/759543230.db2.gz YHNPBJAEBAACJR-PLNGDYQASA-N 1 2 335.437 0.587 20 30 ECEDLO Cn1ncc(C[N@@H+]2C[C@@H]3CCCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)n1 ZINC001050025711 759565118 /nfs/dbraw/zinc/56/51/18/759565118.db2.gz IAIQTPKOHZYMLU-BLLLJJGKSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1ncc(C[N@H+]2C[C@@H]3CCCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)n1 ZINC001050025711 759565123 /nfs/dbraw/zinc/56/51/23/759565123.db2.gz IAIQTPKOHZYMLU-BLLLJJGKSA-N 1 2 339.403 0.751 20 30 ECEDLO CN(C[C@@H](O)CN(C)c1[nH+]cnc2c1cnn2C)C(=O)C#CC1CC1 ZINC001125080646 759592438 /nfs/dbraw/zinc/59/24/38/759592438.db2.gz LWEHIQBWZAXPKR-CYBMUJFWSA-N 1 2 342.403 0.032 20 30 ECEDLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001050103189 759707687 /nfs/dbraw/zinc/70/76/87/759707687.db2.gz JPZWGHCFGQVKTE-NWDGAFQWSA-N 1 2 335.433 0.562 20 30 ECEDLO CN(C[C@H](O)CN(C)c1ncccc1C#N)C(=O)Cc1[nH]cc[nH+]1 ZINC001125149288 759828793 /nfs/dbraw/zinc/82/87/93/759828793.db2.gz UGSAXLHDYHZEDR-ZDUSSCGKSA-N 1 2 328.376 0.175 20 30 ECEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)c3cc(=O)n4[nH]cnc4n3)cc2C1 ZINC001054289397 767897498 /nfs/dbraw/zinc/89/74/98/767897498.db2.gz DPULBAZSZBBZIN-UHFFFAOYSA-N 1 2 348.366 0.296 20 30 ECEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)c3cc(=O)n4[nH]cnc4n3)cc2C1 ZINC001054289397 767897502 /nfs/dbraw/zinc/89/75/02/767897502.db2.gz DPULBAZSZBBZIN-UHFFFAOYSA-N 1 2 348.366 0.296 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4[nH]nnc4C3)[C@@H]2C1 ZINC001050183117 759888814 /nfs/dbraw/zinc/88/88/14/759888814.db2.gz PJOPICBAMPQFMU-GRDNDAEWSA-N 1 2 327.432 0.856 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4[nH]nnc4C3)[C@@H]2C1 ZINC001050183117 759888823 /nfs/dbraw/zinc/88/88/23/759888823.db2.gz PJOPICBAMPQFMU-GRDNDAEWSA-N 1 2 327.432 0.856 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4nn[nH]c4C3)[C@@H]2C1 ZINC001050183117 759888841 /nfs/dbraw/zinc/88/88/41/759888841.db2.gz PJOPICBAMPQFMU-GRDNDAEWSA-N 1 2 327.432 0.856 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4nn[nH]c4C3)[C@@H]2C1 ZINC001050183117 759888851 /nfs/dbraw/zinc/88/88/51/759888851.db2.gz PJOPICBAMPQFMU-GRDNDAEWSA-N 1 2 327.432 0.856 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H]([C@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001050304837 760091826 /nfs/dbraw/zinc/09/18/26/760091826.db2.gz OWOQUJFODVQEJS-LSDHHAIUSA-N 1 2 334.420 0.829 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001012497963 760097368 /nfs/dbraw/zinc/09/73/68/760097368.db2.gz QFHLRUZNFZCMGX-FZMZJTMJSA-N 1 2 340.387 0.582 20 30 ECEDLO CO[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001212141421 760219241 /nfs/dbraw/zinc/21/92/41/760219241.db2.gz SDKLONAXJCOTHS-ZIAGYGMSSA-N 1 2 347.419 0.230 20 30 ECEDLO CO[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001212141421 760219251 /nfs/dbraw/zinc/21/92/51/760219251.db2.gz SDKLONAXJCOTHS-ZIAGYGMSSA-N 1 2 347.419 0.230 20 30 ECEDLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001050493190 760359972 /nfs/dbraw/zinc/35/99/72/760359972.db2.gz XUQHUTOJNTXXJN-NEPJUHHUSA-N 1 2 340.387 0.819 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nnc(Cc2ccccc2)o1 ZINC001127051951 760486156 /nfs/dbraw/zinc/48/61/56/760486156.db2.gz NVZFTKRQUALOEZ-AWEZNQCLSA-N 1 2 342.399 0.905 20 30 ECEDLO C[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2CNc2ccncc2C#N)C1 ZINC001060225492 760490391 /nfs/dbraw/zinc/49/03/91/760490391.db2.gz SOQSVEOSDQIZAH-WBVHZDCISA-N 1 2 343.431 0.499 20 30 ECEDLO C[N@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2CNc2ccncc2C#N)C1 ZINC001060225492 760490396 /nfs/dbraw/zinc/49/03/96/760490396.db2.gz SOQSVEOSDQIZAH-WBVHZDCISA-N 1 2 343.431 0.499 20 30 ECEDLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CNc1ccc(C#N)nn1 ZINC001054417130 767968098 /nfs/dbraw/zinc/96/80/98/767968098.db2.gz DMDYOZREILXGTK-CHWSQXEVSA-N 1 2 325.376 0.751 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001050730131 760744811 /nfs/dbraw/zinc/74/48/11/760744811.db2.gz VIEOSMHXYOGZOO-CABCVRRESA-N 1 2 346.431 0.356 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CC(N)=O)cc1C#N ZINC001017432003 767978225 /nfs/dbraw/zinc/97/82/25/767978225.db2.gz MMXJPGKRIPPSHD-GASCZTMLSA-N 1 2 342.399 0.617 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CC(N)=O)cc1C#N ZINC001017432003 767978230 /nfs/dbraw/zinc/97/82/30/767978230.db2.gz MMXJPGKRIPPSHD-GASCZTMLSA-N 1 2 342.399 0.617 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001012908040 760803445 /nfs/dbraw/zinc/80/34/45/760803445.db2.gz NSQGJAFETZCDGI-BXUZGUMPSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001012908040 760803460 /nfs/dbraw/zinc/80/34/60/760803460.db2.gz NSQGJAFETZCDGI-BXUZGUMPSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cn1cc[nH+]c1 ZINC001013032003 760977162 /nfs/dbraw/zinc/97/71/62/760977162.db2.gz KOSOKQXNTAXGSS-AAEUAGOBSA-N 1 2 326.360 0.502 20 30 ECEDLO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1O ZINC001048757595 761122440 /nfs/dbraw/zinc/12/24/40/761122440.db2.gz JKEZWSCCBXGIBF-HOTGVXAUSA-N 1 2 346.431 0.497 20 30 ECEDLO COc1ccc(CN2CC(NC(=O)Cc3[nH]cc[nH+]3)C2)cc1C#N ZINC001031145618 768031312 /nfs/dbraw/zinc/03/13/12/768031312.db2.gz LDWDSLIKJGEXKT-UHFFFAOYSA-N 1 2 325.372 0.833 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)CCn1cc[nH+]c1 ZINC001013404896 761372348 /nfs/dbraw/zinc/37/23/48/761372348.db2.gz IAFGUJNEOCRTLR-SWLSCSKDSA-N 1 2 340.387 0.892 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)c1cnn(C)c1)C2 ZINC001111525354 761412672 /nfs/dbraw/zinc/41/26/72/761412672.db2.gz XHRDTNFGVYAELJ-XZDPQHSOSA-N 1 2 345.447 0.547 20 30 ECEDLO C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)c1cnn(C)c1)C2 ZINC001111525354 761412678 /nfs/dbraw/zinc/41/26/78/761412678.db2.gz XHRDTNFGVYAELJ-XZDPQHSOSA-N 1 2 345.447 0.547 20 30 ECEDLO C=CCCOCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001051059839 761415699 /nfs/dbraw/zinc/41/56/99/761415699.db2.gz MBFBOPWGMZZLAP-HUUCEWRRSA-N 1 2 334.420 0.829 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC001051209627 761692648 /nfs/dbraw/zinc/69/26/48/761692648.db2.gz LKKJLNBGRPLKQO-KBPBESRZSA-N 1 2 333.436 0.693 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC001051209627 761692660 /nfs/dbraw/zinc/69/26/60/761692660.db2.gz LKKJLNBGRPLKQO-KBPBESRZSA-N 1 2 333.436 0.693 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(CNC(N)=O)cc1 ZINC001051241279 761743947 /nfs/dbraw/zinc/74/39/47/761743947.db2.gz UZIYHUZRYXKMHI-MRXNPFEDSA-N 1 2 346.431 0.862 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(CNC(N)=O)cc1 ZINC001051241279 761743952 /nfs/dbraw/zinc/74/39/52/761743952.db2.gz UZIYHUZRYXKMHI-MRXNPFEDSA-N 1 2 346.431 0.862 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccnc1C(N)=O ZINC001051253344 761770461 /nfs/dbraw/zinc/77/04/61/761770461.db2.gz NHZMPVYVWSPMJF-CYBMUJFWSA-N 1 2 332.404 0.577 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cccnc1C(N)=O ZINC001051253344 761770471 /nfs/dbraw/zinc/77/04/71/761770471.db2.gz NHZMPVYVWSPMJF-CYBMUJFWSA-N 1 2 332.404 0.577 20 30 ECEDLO C[C@H](NC(=O)CSCC#N)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001051262695 761788211 /nfs/dbraw/zinc/78/82/11/761788211.db2.gz YSRBNAJAHUYVJC-QWHCGFSZSA-N 1 2 349.460 0.573 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc(C(N)=O)n1 ZINC001051264234 761790773 /nfs/dbraw/zinc/79/07/73/761790773.db2.gz RUPRESOYDDSBFT-CYBMUJFWSA-N 1 2 332.404 0.577 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cccc(C(N)=O)n1 ZINC001051264234 761790780 /nfs/dbraw/zinc/79/07/80/761790780.db2.gz RUPRESOYDDSBFT-CYBMUJFWSA-N 1 2 332.404 0.577 20 30 ECEDLO N#Cc1nccc(NC[C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)n1 ZINC001060288249 761811716 /nfs/dbraw/zinc/81/17/16/761811716.db2.gz WBVGTUKUXTWWHR-AWEZNQCLSA-N 1 2 339.403 0.850 20 30 ECEDLO Cc1nc(N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H](O)C2)ccc1C#N ZINC001051698986 762725770 /nfs/dbraw/zinc/72/57/70/762725770.db2.gz DUHCMBBAINSPPM-LSDHHAIUSA-N 1 2 340.387 0.214 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCO[C@H](C[NH2+]Cc2nc(N(C)C)no2)C1 ZINC001051754804 762884198 /nfs/dbraw/zinc/88/41/98/762884198.db2.gz BJGOCSDRJJIYQS-GFCCVEGCSA-N 1 2 337.424 0.665 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CC2(O)CCC2)C1=O ZINC001017539253 768095189 /nfs/dbraw/zinc/09/51/89/768095189.db2.gz WOKBNQNVPBDGCO-XHSDSOJGSA-N 1 2 347.459 0.754 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CC2(O)CCC2)C1=O ZINC001017539253 768095197 /nfs/dbraw/zinc/09/51/97/768095197.db2.gz WOKBNQNVPBDGCO-XHSDSOJGSA-N 1 2 347.459 0.754 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)C[C@@H]3CCNC3=O)C2)c1 ZINC001014711189 763025024 /nfs/dbraw/zinc/02/50/24/763025024.db2.gz MCPCTEIQJAYTCL-ZFWWWQNUSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)C[C@@H]3CCNC3=O)C2)c1 ZINC001014711189 763025030 /nfs/dbraw/zinc/02/50/30/763025030.db2.gz MCPCTEIQJAYTCL-ZFWWWQNUSA-N 1 2 344.390 0.914 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001105970835 763129319 /nfs/dbraw/zinc/12/93/19/763129319.db2.gz NMNFJKXJAGAQPF-JSGCOSHPSA-N 1 2 332.404 0.590 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001014851281 763303123 /nfs/dbraw/zinc/30/31/23/763303123.db2.gz JVBONXLTUXRIJX-DGCLKSJQSA-N 1 2 340.387 0.961 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3onc(C)c3C)C2)C1=O ZINC001014866272 763332980 /nfs/dbraw/zinc/33/29/80/763332980.db2.gz ZNOWDSPSWVEUGU-KGLIPLIRSA-N 1 2 332.404 0.882 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3onc(C)c3C)C2)C1=O ZINC001014866272 763332985 /nfs/dbraw/zinc/33/29/85/763332985.db2.gz ZNOWDSPSWVEUGU-KGLIPLIRSA-N 1 2 332.404 0.882 20 30 ECEDLO C[C@H](C(N)=O)[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046927691 763401734 /nfs/dbraw/zinc/40/17/34/763401734.db2.gz LHYKYJHUTDAPGQ-ZJUUUORDSA-N 1 2 339.346 0.447 20 30 ECEDLO C[C@H](C(N)=O)[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046927691 763401737 /nfs/dbraw/zinc/40/17/37/763401737.db2.gz LHYKYJHUTDAPGQ-ZJUUUORDSA-N 1 2 339.346 0.447 20 30 ECEDLO Cn1c(=O)[nH]cc1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031898932 763456570 /nfs/dbraw/zinc/45/65/70/763456570.db2.gz QDFLYYBOTDZGBF-UHFFFAOYSA-N 1 2 342.374 0.978 20 30 ECEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)[C@H]1CCNC1=O ZINC001031900370 763460592 /nfs/dbraw/zinc/46/05/92/763460592.db2.gz PNFLDBCZRDEWDB-INIZCTEOSA-N 1 2 345.830 0.876 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C2)CC1 ZINC001051977366 763496718 /nfs/dbraw/zinc/49/67/18/763496718.db2.gz UXWCEARWXWUVCF-KRWDZBQOSA-N 1 2 328.416 0.175 20 30 ECEDLO C=CCN1CC[C@@H](N2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1=O ZINC001030473124 763521311 /nfs/dbraw/zinc/52/13/11/763521311.db2.gz HOAVSDLMOWWOIZ-UMVBOHGHSA-N 1 2 329.404 0.101 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(Cc3ccccn3)CC2)C1 ZINC001051997685 763548803 /nfs/dbraw/zinc/54/88/03/763548803.db2.gz FYQMABCJBPANRD-WBVHZDCISA-N 1 2 327.432 0.960 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H](N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC001051997685 763548810 /nfs/dbraw/zinc/54/88/10/763548810.db2.gz FYQMABCJBPANRD-WBVHZDCISA-N 1 2 327.432 0.960 20 30 ECEDLO Cc1ncoc1C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001051998696 763552634 /nfs/dbraw/zinc/55/26/34/763552634.db2.gz YKHURLPYPZRRPN-DZGCQCFKSA-N 1 2 331.420 0.861 20 30 ECEDLO Cc1ncoc1CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001051998696 763552640 /nfs/dbraw/zinc/55/26/40/763552640.db2.gz YKHURLPYPZRRPN-DZGCQCFKSA-N 1 2 331.420 0.861 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3COC(=O)C3)C2)CC1 ZINC001052012247 763583846 /nfs/dbraw/zinc/58/38/46/763583846.db2.gz GHIPSPPQMVMWCZ-JKSUJKDBSA-N 1 2 335.448 0.734 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnnc(C)c3)C2)CC1 ZINC001052020613 763602576 /nfs/dbraw/zinc/60/25/76/763602576.db2.gz IOUSQRZSBBRYHK-KRWDZBQOSA-N 1 2 327.432 0.640 20 30 ECEDLO N#Cc1cccnc1NC[C@@H](O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001106006242 763627848 /nfs/dbraw/zinc/62/78/48/763627848.db2.gz BJPKRAHPDBWJAO-IUODEOHRSA-N 1 2 340.387 0.301 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)c3ccnn3C)C2)CC1 ZINC001052030415 763629352 /nfs/dbraw/zinc/62/93/52/763629352.db2.gz NRKJRENWQOCHHM-HZPDHXFCSA-N 1 2 329.448 0.375 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)Cn3ccc(C)n3)C2)CC1 ZINC001052032406 763634806 /nfs/dbraw/zinc/63/48/06/763634806.db2.gz GRCOHPNELJMKCR-WMZOPIPTSA-N 1 2 343.475 0.679 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)C2)CC1 ZINC001052035869 763644853 /nfs/dbraw/zinc/64/48/53/763644853.db2.gz SDOHGDURUPVICN-IAGOWNOFSA-N 1 2 346.475 0.097 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)COc3cc(C)on3)C2)CC1 ZINC001052037587 763655044 /nfs/dbraw/zinc/65/50/44/763655044.db2.gz OAJHDOWAQATBRB-INIZCTEOSA-N 1 2 346.431 0.604 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc4cc[nH]c4n3)C2)CC1 ZINC001052037737 763656885 /nfs/dbraw/zinc/65/68/85/763656885.db2.gz QIZBMHXRXCTEET-OAHLLOKOSA-N 1 2 338.415 0.919 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc4n(n3)CCCC4)C2)CC1 ZINC001052040365 763661615 /nfs/dbraw/zinc/66/16/15/763661615.db2.gz DPBLAJDVWRRXPO-QGZVFWFLSA-N 1 2 341.459 0.685 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@]3(C)CCNC(=O)C3)C2)CC1 ZINC001052042338 763671178 /nfs/dbraw/zinc/67/11/78/763671178.db2.gz AYJIJKLEUYTZMA-LPHOPBHVSA-N 1 2 346.475 0.145 20 30 ECEDLO CCc1cccnc1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052045878 763685785 /nfs/dbraw/zinc/68/57/85/763685785.db2.gz XNHKYNGWXAJTRL-MRXNPFEDSA-N 1 2 327.432 1.000 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3ccc(=O)[nH]c3)C2)CC1 ZINC001052051626 763711276 /nfs/dbraw/zinc/71/12/76/763711276.db2.gz BTJZCEPGYPFCLX-KRWDZBQOSA-N 1 2 342.443 0.572 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)CCc3ccon3)C2)CC1 ZINC001052052043 763714039 /nfs/dbraw/zinc/71/40/39/763714039.db2.gz GMTQQSQRDAXXFQ-KRWDZBQOSA-N 1 2 330.432 0.849 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@]34CCC[C@H]3OCC4)C2)CC1 ZINC001052054022 763719697 /nfs/dbraw/zinc/71/96/97/763719697.db2.gz WKHWLTPZELYALN-SCTDSRPQSA-N 1 2 331.460 0.797 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(C4CC4)on3)C2)CC1 ZINC001052059265 763736363 /nfs/dbraw/zinc/73/63/63/763736363.db2.gz FVIHRICKRSLIMK-AWEZNQCLSA-N 1 2 329.404 0.908 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(C4CC4)on3)C2)CC1 ZINC001052059266 763737744 /nfs/dbraw/zinc/73/77/44/763737744.db2.gz FVIHRICKRSLIMK-CQSZACIVSA-N 1 2 329.404 0.908 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c(C)nn(C)c3Cl)C2)CC1 ZINC001052060177 763739566 /nfs/dbraw/zinc/73/95/66/763739566.db2.gz YYFOTTDORGMVQP-AWEZNQCLSA-N 1 2 349.866 0.847 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3c(C)nn(C)c3Cl)C2)CC1 ZINC001052060177 763739569 /nfs/dbraw/zinc/73/95/69/763739569.db2.gz YYFOTTDORGMVQP-AWEZNQCLSA-N 1 2 349.866 0.847 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cccc4cn[nH]c43)C2)CC1 ZINC001052060249 763739629 /nfs/dbraw/zinc/73/96/29/763739629.db2.gz AQYFOJFGZQFFGP-HNNXBMFYSA-N 1 2 338.415 0.919 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cccc4c[nH]nc43)C2)CC1 ZINC001052060249 763739637 /nfs/dbraw/zinc/73/96/37/763739637.db2.gz AQYFOJFGZQFFGP-HNNXBMFYSA-N 1 2 338.415 0.919 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)c3c[nH]c(=O)n3C)C2)CC1 ZINC001052060462 763740285 /nfs/dbraw/zinc/74/02/85/763740285.db2.gz FFKJTRNXLYKRFA-AWEZNQCLSA-N 1 2 333.436 0.534 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(OC)ccn3)C2)CC1 ZINC001052061479 763744094 /nfs/dbraw/zinc/74/40/94/763744094.db2.gz ZAGWRSZTFWIZCH-MRXNPFEDSA-N 1 2 342.443 0.946 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN([C@H](C)C(=O)NC)CC2)C1 ZINC001052062752 763748252 /nfs/dbraw/zinc/74/82/52/763748252.db2.gz NKZCOJWHUOFCIA-HUUCEWRRSA-N 1 2 336.480 0.552 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H](N2CC[NH+]([C@H](C)C(=O)NC)CC2)C1 ZINC001052062752 763748257 /nfs/dbraw/zinc/74/82/57/763748257.db2.gz NKZCOJWHUOFCIA-HUUCEWRRSA-N 1 2 336.480 0.552 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)c3cncnc3)C2)CC1 ZINC001052070009 763767227 /nfs/dbraw/zinc/76/72/27/763767227.db2.gz ATANYZVGIQEMAH-NVXWUHKLSA-N 1 2 327.432 0.432 20 30 ECEDLO C=CCC1(C(=O)N2CC(O)(CNC(=O)Cc3c[nH]c[nH+]3)C2)CCC1 ZINC001047177943 763770859 /nfs/dbraw/zinc/77/08/59/763770859.db2.gz ZOQUTEDEUMYGNF-UHFFFAOYSA-N 1 2 332.404 0.388 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccnc(C4CC4)n3)C2)CC1 ZINC001052092473 763833102 /nfs/dbraw/zinc/83/31/02/763833102.db2.gz FMSPEGUEUARYCM-MRXNPFEDSA-N 1 2 339.443 0.819 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccnc(C4CC4)n3)C2)CC1 ZINC001052092473 763833108 /nfs/dbraw/zinc/83/31/08/763833108.db2.gz FMSPEGUEUARYCM-MRXNPFEDSA-N 1 2 339.443 0.819 20 30 ECEDLO CCCn1ncc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)c1C ZINC001052100731 763861736 /nfs/dbraw/zinc/86/17/36/763861736.db2.gz HFCQYCXNZNBPMA-INIZCTEOSA-N 1 2 344.463 0.957 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn(C(F)F)c3)C2)CC1 ZINC001052102607 763866103 /nfs/dbraw/zinc/86/61/03/763866103.db2.gz FNZLNSWPPXWQPB-AWEZNQCLSA-N 1 2 337.374 0.744 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)Cc3cnn(C)c3)C2)CC1 ZINC001052103742 763870628 /nfs/dbraw/zinc/87/06/28/763870628.db2.gz UEJKPTQOZFKXIU-WMZOPIPTSA-N 1 2 343.475 0.450 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(OC)nn3)C2)CC1 ZINC001052105192 763875992 /nfs/dbraw/zinc/87/59/92/763875992.db2.gz HRAHKRIMCMUERK-HNNXBMFYSA-N 1 2 343.431 0.341 20 30 ECEDLO Cn1nc2c(c1C(=O)N1CC[C@H]([NH+]3CCN(CC#N)CC3)C1)CCC2 ZINC001052106826 763884238 /nfs/dbraw/zinc/88/42/38/763884238.db2.gz VWNSQSUDOHZXEA-AWEZNQCLSA-N 1 2 342.447 0.264 20 30 ECEDLO C=CCN1CC[C@@H](N2CC(NC(=O)[C@H]3CCn4cc[nH+]c4C3)C2)C1=O ZINC001030555310 763937700 /nfs/dbraw/zinc/93/77/00/763937700.db2.gz UYFLMJYXMUJHLL-DZGCQCFKSA-N 1 2 343.431 0.033 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)CCn3cc(C)cn3)C2)CC1 ZINC001052121814 763943408 /nfs/dbraw/zinc/94/34/08/763943408.db2.gz HUGGVAFRTHJNDV-SFHVURJKSA-N 1 2 343.475 0.823 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C(N)=O)cs3)C2)CC1 ZINC001052122034 763944877 /nfs/dbraw/zinc/94/48/77/763944877.db2.gz LAHKVMAXGHGEEX-CQSZACIVSA-N 1 2 346.456 0.312 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)c3cnn(C)c3)C2)CC1 ZINC001052123079 763948136 /nfs/dbraw/zinc/94/81/36/763948136.db2.gz BASYVVJCYSBCIV-DOTOQJQBSA-N 1 2 329.448 0.375 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ncccc3OCC)C2)CC1 ZINC001052127296 763955882 /nfs/dbraw/zinc/95/58/82/763955882.db2.gz VHBOSGIGGLHVAF-INIZCTEOSA-N 1 2 342.443 0.946 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ncccc3OCC)C2)CC1 ZINC001052127296 763955887 /nfs/dbraw/zinc/95/58/87/763955887.db2.gz VHBOSGIGGLHVAF-INIZCTEOSA-N 1 2 342.443 0.946 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2cnc(OC)nc2C)C[C@H]1OC ZINC001212187551 764022308 /nfs/dbraw/zinc/02/23/08/764022308.db2.gz YKHWIHBFUMUHPY-HZPDHXFCSA-N 1 2 346.431 0.913 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2cnc(OC)nc2C)C[C@H]1OC ZINC001212187551 764022316 /nfs/dbraw/zinc/02/23/16/764022316.db2.gz YKHWIHBFUMUHPY-HZPDHXFCSA-N 1 2 346.431 0.913 20 30 ECEDLO Cc1cc(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)sn1 ZINC001047337779 764044647 /nfs/dbraw/zinc/04/46/47/764044647.db2.gz IQJFJFULWINDMK-GJZGRUSLSA-N 1 2 345.428 0.969 20 30 ECEDLO Cc1cc(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)sn1 ZINC001047337779 764044657 /nfs/dbraw/zinc/04/46/57/764044657.db2.gz IQJFJFULWINDMK-GJZGRUSLSA-N 1 2 345.428 0.969 20 30 ECEDLO Cc1ncc(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)s1 ZINC001047338037 764046555 /nfs/dbraw/zinc/04/65/55/764046555.db2.gz QDEDEHXIABZIRS-GJZGRUSLSA-N 1 2 345.428 0.969 20 30 ECEDLO Cc1ncc(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)s1 ZINC001047338037 764046564 /nfs/dbraw/zinc/04/65/64/764046564.db2.gz QDEDEHXIABZIRS-GJZGRUSLSA-N 1 2 345.428 0.969 20 30 ECEDLO Cn1nnnc1C[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001052315989 764237655 /nfs/dbraw/zinc/23/76/55/764237655.db2.gz VTFPFQKQHVPFLZ-GFCCVEGCSA-N 1 2 328.380 0.194 20 30 ECEDLO Cn1nnnc1C[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001052315989 764237662 /nfs/dbraw/zinc/23/76/62/764237662.db2.gz VTFPFQKQHVPFLZ-GFCCVEGCSA-N 1 2 328.380 0.194 20 30 ECEDLO Cn1cnnc1C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001052320065 764243897 /nfs/dbraw/zinc/24/38/97/764243897.db2.gz NBOZPHPPODPXGM-LBPRGKRZSA-N 1 2 327.392 0.799 20 30 ECEDLO Cn1cnnc1C[N@H+]1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001052320065 764243907 /nfs/dbraw/zinc/24/39/07/764243907.db2.gz NBOZPHPPODPXGM-LBPRGKRZSA-N 1 2 327.392 0.799 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3ccccc3c2O)C1 ZINC001047441078 764353486 /nfs/dbraw/zinc/35/34/86/764353486.db2.gz CHHLPPYFGYIGBF-HOTGVXAUSA-N 1 2 325.368 0.278 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3ccccc3c2O)C1 ZINC001047441078 764353491 /nfs/dbraw/zinc/35/34/91/764353491.db2.gz CHHLPPYFGYIGBF-HOTGVXAUSA-N 1 2 325.368 0.278 20 30 ECEDLO C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1CN(c1cnc(C#N)cn1)C2 ZINC001052380328 764370086 /nfs/dbraw/zinc/37/00/86/764370086.db2.gz JYSFLJOFZQXPAG-DYVFJYSZSA-N 1 2 337.387 0.530 20 30 ECEDLO C=CCCCC(=O)NC[C@@H](O)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001106072434 764370908 /nfs/dbraw/zinc/37/09/08/764370908.db2.gz DHMVUPDIHUSMTF-CYBMUJFWSA-N 1 2 333.436 0.710 20 30 ECEDLO C=CCCCC(=O)NC[C@@H](O)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106072434 764370916 /nfs/dbraw/zinc/37/09/16/764370916.db2.gz DHMVUPDIHUSMTF-CYBMUJFWSA-N 1 2 333.436 0.710 20 30 ECEDLO C[C@@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)CNC(=O)C1 ZINC001015374251 764469117 /nfs/dbraw/zinc/46/91/17/764469117.db2.gz BRHQULLTQIKULG-QAPCUYQASA-N 1 2 326.400 0.775 20 30 ECEDLO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CNC(=O)C1 ZINC001015374251 764469124 /nfs/dbraw/zinc/46/91/24/764469124.db2.gz BRHQULLTQIKULG-QAPCUYQASA-N 1 2 326.400 0.775 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncoc2[C@@H]2CCCO2)C1 ZINC001047483672 764482253 /nfs/dbraw/zinc/48/22/53/764482253.db2.gz GKYYVGWOAWJPKF-IHRRRGAJSA-N 1 2 333.388 0.667 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncoc2[C@@H]2CCCO2)C1 ZINC001047483672 764482259 /nfs/dbraw/zinc/48/22/59/764482259.db2.gz GKYYVGWOAWJPKF-IHRRRGAJSA-N 1 2 333.388 0.667 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1CNC(=O)C#CC1CC1 ZINC001052473510 764581123 /nfs/dbraw/zinc/58/11/23/764581123.db2.gz ZMTVTIQLXITRMC-DZGCQCFKSA-N 1 2 328.416 0.966 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NC[C@@H](O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106079810 764686767 /nfs/dbraw/zinc/68/67/67/764686767.db2.gz CCFVKEFEVLFVJI-WBMJQRKESA-N 1 2 336.440 0.737 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CC3CCCC3)c2)C1 ZINC001047578367 764756490 /nfs/dbraw/zinc/75/64/90/764756490.db2.gz YDHWLWOYATWXNG-IRXDYDNUSA-N 1 2 330.432 0.824 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CC3CCCC3)c2)C1 ZINC001047578367 764756495 /nfs/dbraw/zinc/75/64/95/764756495.db2.gz YDHWLWOYATWXNG-IRXDYDNUSA-N 1 2 330.432 0.824 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3ccccn3)no2)C1 ZINC001047581096 764766584 /nfs/dbraw/zinc/76/65/84/764766584.db2.gz JHOZNAWPAHOQSX-GJZGRUSLSA-N 1 2 326.356 0.487 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3ccccn3)no2)C1 ZINC001047581096 764766590 /nfs/dbraw/zinc/76/65/90/764766590.db2.gz JHOZNAWPAHOQSX-GJZGRUSLSA-N 1 2 326.356 0.487 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C3(C)CCCC3)[C@@H](O)C2)C1=O ZINC001083679190 764890959 /nfs/dbraw/zinc/89/09/59/764890959.db2.gz YAAPZOMFXNFUNL-KFWWJZLASA-N 1 2 335.448 0.515 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C3(C)CCCC3)[C@@H](O)C2)C1=O ZINC001083679190 764890969 /nfs/dbraw/zinc/89/09/69/764890969.db2.gz YAAPZOMFXNFUNL-KFWWJZLASA-N 1 2 335.448 0.515 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3[nH]ncc3F)CC2)C1=O ZINC001052691758 764997456 /nfs/dbraw/zinc/99/74/56/764997456.db2.gz YHJCVMKIZURGBQ-OCCSQVGLSA-N 1 2 349.410 0.920 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3[nH]ncc3F)CC2)C1=O ZINC001052691758 764997462 /nfs/dbraw/zinc/99/74/62/764997462.db2.gz YHJCVMKIZURGBQ-OCCSQVGLSA-N 1 2 349.410 0.920 20 30 ECEDLO COCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cncc(C#N)n2)C1 ZINC001052718747 765039638 /nfs/dbraw/zinc/03/96/38/765039638.db2.gz NFXMDXJBJRCRIT-CHWSQXEVSA-N 1 2 341.375 0.135 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3nnc(C)[nH]3)CC2)nn1 ZINC001052773936 765096682 /nfs/dbraw/zinc/09/66/82/765096682.db2.gz BENZWVCJWZDWLG-ZDUSSCGKSA-N 1 2 344.423 0.675 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3nnc(C)[nH]3)CC2)nn1 ZINC001052773936 765096690 /nfs/dbraw/zinc/09/66/90/765096690.db2.gz BENZWVCJWZDWLG-ZDUSSCGKSA-N 1 2 344.423 0.675 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c(F)c1 ZINC001015632718 765103779 /nfs/dbraw/zinc/10/37/79/765103779.db2.gz BDJJVNUQHLVHLF-OCCSQVGLSA-N 1 2 331.351 0.069 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c(F)c1 ZINC001015632718 765103786 /nfs/dbraw/zinc/10/37/86/765103786.db2.gz BDJJVNUQHLVHLF-OCCSQVGLSA-N 1 2 331.351 0.069 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)c1 ZINC001015633811 765107052 /nfs/dbraw/zinc/10/70/52/765107052.db2.gz JAVTUKFTEABBMB-GXTWGEPZSA-N 1 2 331.351 0.069 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)c1 ZINC001015633811 765107054 /nfs/dbraw/zinc/10/70/54/765107054.db2.gz JAVTUKFTEABBMB-GXTWGEPZSA-N 1 2 331.351 0.069 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CCOCC3)C2)C1 ZINC001015674205 765146198 /nfs/dbraw/zinc/14/61/98/765146198.db2.gz WRFHYPVRWVPLHU-HNNXBMFYSA-N 1 2 335.448 0.828 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CCOCC3)C2)C1 ZINC001015674205 765146203 /nfs/dbraw/zinc/14/62/03/765146203.db2.gz WRFHYPVRWVPLHU-HNNXBMFYSA-N 1 2 335.448 0.828 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC001015698671 765184338 /nfs/dbraw/zinc/18/43/38/765184338.db2.gz NUNYJRKBAMQBPT-UPJWGTAASA-N 1 2 329.828 0.565 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC001015698671 765184341 /nfs/dbraw/zinc/18/43/41/765184341.db2.gz NUNYJRKBAMQBPT-UPJWGTAASA-N 1 2 329.828 0.565 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CC3)C2)cc1 ZINC001015808847 765366161 /nfs/dbraw/zinc/36/61/61/765366161.db2.gz DQIJMJVEOBAQKO-MRXNPFEDSA-N 1 2 341.411 0.781 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CC3)C2)cc1 ZINC001015808847 765366165 /nfs/dbraw/zinc/36/61/65/765366165.db2.gz DQIJMJVEOBAQKO-MRXNPFEDSA-N 1 2 341.411 0.781 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001015815681 765378403 /nfs/dbraw/zinc/37/84/03/765378403.db2.gz AGKBUMGGKBMEJN-KBMXLJTQSA-N 1 2 333.436 0.877 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001015815681 765378411 /nfs/dbraw/zinc/37/84/11/765378411.db2.gz AGKBUMGGKBMEJN-KBMXLJTQSA-N 1 2 333.436 0.877 20 30 ECEDLO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001015864705 765460061 /nfs/dbraw/zinc/46/00/61/765460061.db2.gz GOQRCNFFHCBYDN-LBPRGKRZSA-N 1 2 330.392 0.228 20 30 ECEDLO C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001015864705 765460067 /nfs/dbraw/zinc/46/00/67/765460067.db2.gz GOQRCNFFHCBYDN-LBPRGKRZSA-N 1 2 330.392 0.228 20 30 ECEDLO C=CCCOCC(=O)NC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001053034521 765508249 /nfs/dbraw/zinc/50/82/49/765508249.db2.gz RKDFVJLFWKVUPV-LSDHHAIUSA-N 1 2 348.447 0.766 20 30 ECEDLO C#Cc1ccc(C(=O)NC2C[NH+](CCCN3C(=O)CNC3=O)C2)cc1 ZINC001030774904 765528682 /nfs/dbraw/zinc/52/86/82/765528682.db2.gz BWJXYZQRKCKSNX-UHFFFAOYSA-N 1 2 340.383 0.024 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1CNC(=O)C#CC1CC1 ZINC001053150870 765660776 /nfs/dbraw/zinc/66/07/76/765660776.db2.gz PSERRTOEPWFUKC-ZBFHGGJFSA-N 1 2 342.443 0.977 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001016014985 765722113 /nfs/dbraw/zinc/72/21/13/765722113.db2.gz CYLWMLDRLCYZLO-AWEZNQCLSA-N 1 2 339.399 0.831 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001016014985 765722115 /nfs/dbraw/zinc/72/21/15/765722115.db2.gz CYLWMLDRLCYZLO-AWEZNQCLSA-N 1 2 339.399 0.831 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc(Cl)no3)C2)C1=O ZINC001016057073 765750408 /nfs/dbraw/zinc/75/04/08/765750408.db2.gz SADFNTCERAQZPF-QWRGUYRKSA-N 1 2 338.795 0.919 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(Cl)no3)C2)C1=O ZINC001016057073 765750413 /nfs/dbraw/zinc/75/04/13/765750413.db2.gz SADFNTCERAQZPF-QWRGUYRKSA-N 1 2 338.795 0.919 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cn3cncn3)C2)c(F)c1 ZINC001016194044 765891567 /nfs/dbraw/zinc/89/15/67/765891567.db2.gz DWAVLURDVUGZCO-AWEZNQCLSA-N 1 2 328.351 0.680 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Cn3cncn3)C2)c(F)c1 ZINC001016194044 765891572 /nfs/dbraw/zinc/89/15/72/765891572.db2.gz DWAVLURDVUGZCO-AWEZNQCLSA-N 1 2 328.351 0.680 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCn3cncc3C1)CCO2 ZINC001053312528 765951481 /nfs/dbraw/zinc/95/14/81/765951481.db2.gz NOUGFRMMJPLYRD-HNNXBMFYSA-N 1 2 330.432 0.935 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCN(C(N)=O)C1)CCO2 ZINC001053332046 765989256 /nfs/dbraw/zinc/98/92/56/765989256.db2.gz JFPZYZUDGPORSI-AWEZNQCLSA-N 1 2 336.436 0.266 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCN(C(N)=O)C1)CCO2 ZINC001053332047 765989460 /nfs/dbraw/zinc/98/94/60/765989460.db2.gz JFPZYZUDGPORSI-CQSZACIVSA-N 1 2 336.436 0.266 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC(=O)N(CCC)C1)CCO2 ZINC001053452442 766158181 /nfs/dbraw/zinc/15/81/81/766158181.db2.gz SZYVUIGEPDHXKM-HNNXBMFYSA-N 1 2 335.448 0.734 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C(=O)N1CCC(C)CC1)CCO2 ZINC001053461716 766171827 /nfs/dbraw/zinc/17/18/27/766171827.db2.gz XAKNFLLDPKAKSE-UHFFFAOYSA-N 1 2 335.448 0.734 20 30 ECEDLO C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1CNCC#N ZINC001106474625 768354200 /nfs/dbraw/zinc/35/42/00/768354200.db2.gz PQYGBASCEFPOOV-DJIMGWMZSA-N 1 2 334.464 0.695 20 30 ECEDLO C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C[C@H]1CNCC#N ZINC001106474625 768354208 /nfs/dbraw/zinc/35/42/08/768354208.db2.gz PQYGBASCEFPOOV-DJIMGWMZSA-N 1 2 334.464 0.695 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001016407734 766245526 /nfs/dbraw/zinc/24/55/26/766245526.db2.gz ZSEGVOZMOHSGNW-UHFFFAOYSA-N 1 2 326.360 0.502 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](C1CC1)N1CCOCC1)CCO2 ZINC001053539885 766304072 /nfs/dbraw/zinc/30/40/72/766304072.db2.gz ZXULDFVRWVEPTO-QGZVFWFLSA-N 1 2 349.475 0.587 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001045785916 766369508 /nfs/dbraw/zinc/36/95/08/766369508.db2.gz VUMCLRCCCSPWPZ-MRXNPFEDSA-N 1 2 334.420 0.565 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnc3n1CCOC3)O2 ZINC001053613467 766434112 /nfs/dbraw/zinc/43/41/12/766434112.db2.gz FFIFJFJTCXRTIP-CQSZACIVSA-N 1 2 346.431 0.953 20 30 ECEDLO C#CCN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCc3[nH+]ccn3C1)O2 ZINC001053618924 766447142 /nfs/dbraw/zinc/44/71/42/766447142.db2.gz GHTGIGWZAOQWAX-HUUCEWRRSA-N 1 2 328.416 0.428 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C2)C1=O ZINC001212255472 766554989 /nfs/dbraw/zinc/55/49/89/766554989.db2.gz MBOUIQKKDCOXMF-OWCLPIDISA-N 1 2 347.459 0.638 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C2)C1=O ZINC001212255472 766554992 /nfs/dbraw/zinc/55/49/92/766554992.db2.gz MBOUIQKKDCOXMF-OWCLPIDISA-N 1 2 347.459 0.638 20 30 ECEDLO Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)C[C@H](C)n2cc[nH+]c2)n1 ZINC001106131728 766590262 /nfs/dbraw/zinc/59/02/62/766590262.db2.gz ITLZTYUDBUSJCS-ZFWWWQNUSA-N 1 2 342.403 0.999 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCCN1C(N)=O)O2 ZINC001053687805 766592166 /nfs/dbraw/zinc/59/21/66/766592166.db2.gz ZJWNCEUTHNBUEM-ZIAGYGMSSA-N 1 2 336.436 0.455 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCc3nnc(C)n3C1)O2 ZINC001053701153 766622239 /nfs/dbraw/zinc/62/22/39/766622239.db2.gz NKKVUWXHXVFPEA-LSDHHAIUSA-N 1 2 345.447 0.685 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cn(C)c(=O)n1C)O2 ZINC001053701602 766623541 /nfs/dbraw/zinc/62/35/41/766623541.db2.gz YTRCCEVMLYNGMF-CYBMUJFWSA-N 1 2 334.420 0.263 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)O2 ZINC001053703671 766627930 /nfs/dbraw/zinc/62/79/30/766627930.db2.gz LJKFIXXHQOFYBP-AWEZNQCLSA-N 1 2 344.415 0.720 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCN([C@H]2CC[N@H+](Cc3ncccn3)C2)CC1 ZINC001046012466 766639321 /nfs/dbraw/zinc/63/93/21/766639321.db2.gz OLDGCBQRBBARLG-GJZGRUSLSA-N 1 2 328.420 0.355 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ncccn3)C2)CC1 ZINC001046012466 766639326 /nfs/dbraw/zinc/63/93/26/766639326.db2.gz OLDGCBQRBBARLG-GJZGRUSLSA-N 1 2 328.420 0.355 20 30 ECEDLO CC(C)c1cc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)nn1C ZINC001046028328 766690157 /nfs/dbraw/zinc/69/01/57/766690157.db2.gz ZHFTYZXPIVDHSI-OAHLLOKOSA-N 1 2 344.463 0.899 20 30 ECEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1OC ZINC001213271311 766692343 /nfs/dbraw/zinc/69/23/43/766692343.db2.gz RXNJNULCSSUDKD-MGPQQGTHSA-N 1 2 344.477 0.449 20 30 ECEDLO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1OC ZINC001213271311 766692346 /nfs/dbraw/zinc/69/23/46/766692346.db2.gz RXNJNULCSSUDKD-MGPQQGTHSA-N 1 2 344.477 0.449 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3ccnn3C3CCC3)CC2)C1 ZINC001046030143 766696426 /nfs/dbraw/zinc/69/64/26/766696426.db2.gz KIXQZLVRDTZMEO-MRXNPFEDSA-N 1 2 342.447 0.964 20 30 ECEDLO CCOc1cc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)[nH]n1 ZINC001046038799 766738935 /nfs/dbraw/zinc/73/89/35/766738935.db2.gz JIUFVSDFBJRCPV-ZDUSSCGKSA-N 1 2 332.408 0.164 20 30 ECEDLO CCCc1c(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)cnn1C ZINC001046042850 766757690 /nfs/dbraw/zinc/75/76/90/766757690.db2.gz ODIPFZLUGPNRKF-HNNXBMFYSA-N 1 2 344.463 0.728 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cccc4nccn43)CC2)C1 ZINC001046043823 766763956 /nfs/dbraw/zinc/76/39/56/766763956.db2.gz FBZBNHKPKIZONK-HNNXBMFYSA-N 1 2 338.415 0.690 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)C3(C4CC4)CCOCC3)CC2)C1 ZINC001046048568 766780655 /nfs/dbraw/zinc/78/06/55/766780655.db2.gz ZGEAVDIARCNONA-QGZVFWFLSA-N 1 2 346.475 0.935 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cccc4[nH]ncc43)CC2)C1 ZINC001046050308 766785592 /nfs/dbraw/zinc/78/55/92/766785592.db2.gz KHWOROKQRJQEDP-AWEZNQCLSA-N 1 2 338.415 0.919 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(Cc3ncnn3C)C2)CC1 ZINC001046051485 766791773 /nfs/dbraw/zinc/79/17/73/766791773.db2.gz IKKAFVXSBGQWNU-HNNXBMFYSA-N 1 2 346.479 0.746 20 30 ECEDLO C[C@H](Oc1cccnc1)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046061151 766828435 /nfs/dbraw/zinc/82/84/35/766828435.db2.gz JIVNTHHLQBZRIU-HOTGVXAUSA-N 1 2 343.431 0.591 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCc3c[nH]nc31)CO2 ZINC001053800321 766880600 /nfs/dbraw/zinc/88/06/00/766880600.db2.gz MZTXZNRCGGXQMK-GJZGRUSLSA-N 1 2 328.416 0.812 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1 ZINC000994827266 766904139 /nfs/dbraw/zinc/90/41/39/766904139.db2.gz KMSNRVXWUJINLP-HUUCEWRRSA-N 1 2 335.367 0.530 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1 ZINC000994827266 766904141 /nfs/dbraw/zinc/90/41/41/766904141.db2.gz KMSNRVXWUJINLP-HUUCEWRRSA-N 1 2 335.367 0.530 20 30 ECEDLO Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)n1 ZINC001106135697 766910231 /nfs/dbraw/zinc/91/02/31/766910231.db2.gz ZGBVZEMRLNNXRS-QMTHXVAHSA-N 1 2 343.391 0.148 20 30 ECEDLO Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)n1 ZINC001106135697 766910235 /nfs/dbraw/zinc/91/02/35/766910235.db2.gz ZGBVZEMRLNNXRS-QMTHXVAHSA-N 1 2 343.391 0.148 20 30 ECEDLO COc1cccc(CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)c1 ZINC001046080469 766916841 /nfs/dbraw/zinc/91/68/41/766916841.db2.gz HUIYLOFNOOGEHU-KRWDZBQOSA-N 1 2 342.443 0.980 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)COc3ccccc3F)CC2)C1 ZINC001046080709 766917340 /nfs/dbraw/zinc/91/73/40/766917340.db2.gz BJNBUUSKVSJQHX-HNNXBMFYSA-N 1 2 346.406 0.947 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC(=O)N(C(C)C)C1)CO2 ZINC001053818485 766925764 /nfs/dbraw/zinc/92/57/64/766925764.db2.gz LERGTNBPDIXEBK-HUUCEWRRSA-N 1 2 335.448 0.779 20 30 ECEDLO CN(C)c1ccc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)nc1 ZINC001046087340 766930302 /nfs/dbraw/zinc/93/03/02/766930302.db2.gz QKZDXRDADNXACE-MRXNPFEDSA-N 1 2 342.447 0.503 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(NC(C)=O)cn1)CO2 ZINC001053824675 766946404 /nfs/dbraw/zinc/94/64/04/766946404.db2.gz BARMJWUXYVUDFL-HNNXBMFYSA-N 1 2 342.399 0.636 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C2CC(NC(=O)Cc3c[nH]c[nH+]3)C2)cn1 ZINC001016810300 766967297 /nfs/dbraw/zinc/96/72/97/766967297.db2.gz XEJAOPXSVISJKD-UHFFFAOYSA-N 1 2 337.383 0.748 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCn3nccc31)CO2 ZINC001053851203 767018638 /nfs/dbraw/zinc/01/86/38/767018638.db2.gz NMRPDCKGVPJLJN-CABCVRRESA-N 1 2 328.416 0.743 20 30 ECEDLO C#CCN1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3[nH+]c(C)[nH]c3C1)CO2 ZINC001053851429 767020802 /nfs/dbraw/zinc/02/08/02/767020802.db2.gz RTGVTIUXNLAZML-UONOGXRCSA-N 1 2 328.416 0.416 20 30 ECEDLO C#CCN1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3[nH]c(C)[nH+]c3C1)CO2 ZINC001053851429 767020813 /nfs/dbraw/zinc/02/08/13/767020813.db2.gz RTGVTIUXNLAZML-UONOGXRCSA-N 1 2 328.416 0.416 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C)nnc1CC)CO2 ZINC001053851768 767022350 /nfs/dbraw/zinc/02/23/50/767022350.db2.gz AGJFGOCKXRXUAL-AWEZNQCLSA-N 1 2 328.416 0.944 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](Cc1ncnn1C)CC2 ZINC001016837495 767023035 /nfs/dbraw/zinc/02/30/35/767023035.db2.gz UFKWTVQARMDAIX-ILXRZTDVSA-N 1 2 345.447 0.877 20 30 ECEDLO CC#CCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCn3cc[nH+]c3C1)CO2 ZINC001053852691 767024803 /nfs/dbraw/zinc/02/48/03/767024803.db2.gz ORKBPUBYAUQKIX-HUUCEWRRSA-N 1 2 328.416 0.428 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnn3c1OCCC3)CO2 ZINC001053858834 767048229 /nfs/dbraw/zinc/04/82/29/767048229.db2.gz SBIQLKCWZZJYQS-ZDUSSCGKSA-N 1 2 332.404 0.815 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnn(C)c1CCC)CO2 ZINC001053861519 767057561 /nfs/dbraw/zinc/05/75/61/767057561.db2.gz MRUUXKVIGSNPLI-CQSZACIVSA-N 1 2 330.432 0.969 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nnc3ccccc3n1)CO2 ZINC001053871806 767092029 /nfs/dbraw/zinc/09/20/29/767092029.db2.gz MYHCUBFEBAPMME-CYBMUJFWSA-N 1 2 337.383 0.621 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3nncn3CC1)CO2 ZINC001053874377 767103751 /nfs/dbraw/zinc/10/37/51/767103751.db2.gz WDQNVPBXBFXHDW-LSDHHAIUSA-N 1 2 343.431 0.213 20 30 ECEDLO Cn1cc(C[N@@H+]2CC[C@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@H]32)nn1 ZINC001042016840 782604336 /nfs/dbraw/zinc/60/43/36/782604336.db2.gz VHNOGJBPLZMYLL-BLLLJJGKSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1cc(C[N@H+]2CC[C@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@H]32)nn1 ZINC001042016840 782604342 /nfs/dbraw/zinc/60/43/42/782604342.db2.gz VHNOGJBPLZMYLL-BLLLJJGKSA-N 1 2 339.403 0.751 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3cnc[nH]c3=O)C2)s1 ZINC001031758692 767161420 /nfs/dbraw/zinc/16/14/20/767161420.db2.gz INVQPPSSHSQLGV-UHFFFAOYSA-N 1 2 329.385 0.977 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001046359890 767167915 /nfs/dbraw/zinc/16/79/15/767167915.db2.gz LSXJOXKEUXLSDW-BXUZGUMPSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001046359890 767167916 /nfs/dbraw/zinc/16/79/16/767167916.db2.gz LSXJOXKEUXLSDW-BXUZGUMPSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001031766672 767171488 /nfs/dbraw/zinc/17/14/88/767171488.db2.gz LLSFEOVUYDCWSB-UHFFFAOYSA-N 1 2 332.853 0.612 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2[nH]cnc2C(C)(C)C)[C@H](OC)C1 ZINC001212297884 767183163 /nfs/dbraw/zinc/18/31/63/767183163.db2.gz OMLLECWGSLYVPL-ZIAGYGMSSA-N 1 2 348.447 0.786 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2[nH]cnc2C(C)(C)C)[C@H](OC)C1 ZINC001212297884 767183164 /nfs/dbraw/zinc/18/31/64/767183164.db2.gz OMLLECWGSLYVPL-ZIAGYGMSSA-N 1 2 348.447 0.786 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC(C)(C)CC)[C@H](OC)C1 ZINC001212318915 767208303 /nfs/dbraw/zinc/20/83/03/767208303.db2.gz QATDPOWCKMEJTA-ZIAGYGMSSA-N 1 2 325.453 0.930 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC(C)(C)CC)[C@H](OC)C1 ZINC001212318915 767208304 /nfs/dbraw/zinc/20/83/04/767208304.db2.gz QATDPOWCKMEJTA-ZIAGYGMSSA-N 1 2 325.453 0.930 20 30 ECEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1OC ZINC001212321264 767214681 /nfs/dbraw/zinc/21/46/81/767214681.db2.gz ZGPVZZNKCNWMOT-BZUAXINKSA-N 1 2 335.448 0.849 20 30 ECEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1OC ZINC001212321264 767214682 /nfs/dbraw/zinc/21/46/82/767214682.db2.gz ZGPVZZNKCNWMOT-BZUAXINKSA-N 1 2 335.448 0.849 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cc1ccccc1C(N)=O)CO2 ZINC001053888172 767216517 /nfs/dbraw/zinc/21/65/17/767216517.db2.gz BHYMUTKGNJMLIW-HNNXBMFYSA-N 1 2 343.427 0.864 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@]3(F)CCOC3)C2)cc1 ZINC001077568782 767310532 /nfs/dbraw/zinc/31/05/32/767310532.db2.gz PCJSJIHWJXZFRG-BFYDXBDKSA-N 1 2 333.363 0.348 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@]3(F)CCOC3)C2)cc1 ZINC001077568782 767310536 /nfs/dbraw/zinc/31/05/36/767310536.db2.gz PCJSJIHWJXZFRG-BFYDXBDKSA-N 1 2 333.363 0.348 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCc3nn(C)cc31)CO2 ZINC001053907440 767324052 /nfs/dbraw/zinc/32/40/52/767324052.db2.gz WMWIGNASEZOWOC-HUUCEWRRSA-N 1 2 342.443 0.823 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCc3nn[nH]c31)CO2 ZINC001053908155 767327348 /nfs/dbraw/zinc/32/73/48/767327348.db2.gz LQRZSZUHDYIJFA-CHWSQXEVSA-N 1 2 329.404 0.207 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3nonc3c1)CO2 ZINC001053913453 767340655 /nfs/dbraw/zinc/34/06/55/767340655.db2.gz QQTVWZMZOWXONF-CYBMUJFWSA-N 1 2 326.356 0.819 20 30 ECEDLO C#Cc1cncc(C(=O)NCC[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001078288802 782620775 /nfs/dbraw/zinc/62/07/75/782620775.db2.gz QLEJGQFMIKAUMI-LBPRGKRZSA-N 1 2 325.372 0.653 20 30 ECEDLO Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC001106158237 767424286 /nfs/dbraw/zinc/42/42/86/767424286.db2.gz QVAWTFWNXMFMHR-JHJVBQTASA-N 1 2 341.375 0.073 20 30 ECEDLO Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1 ZINC001106158237 767424293 /nfs/dbraw/zinc/42/42/93/767424293.db2.gz QVAWTFWNXMFMHR-JHJVBQTASA-N 1 2 341.375 0.073 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)c1cnn(C)c1)CO2 ZINC001053970004 767492339 /nfs/dbraw/zinc/49/23/39/767492339.db2.gz CSMPIJWZLXQSOB-OAHLLOKOSA-N 1 2 330.432 0.681 20 30 ECEDLO N#CCN1CC2(C1)C[C@@H](NC(=O)c1cccc(-n3cc[nH+]c3)c1)CO2 ZINC001053971370 767495099 /nfs/dbraw/zinc/49/50/99/767495099.db2.gz JVFBUTMYRVYIMS-OAHLLOKOSA-N 1 2 337.383 0.969 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(=O)N1CCC[C@H]1CC)CO2 ZINC001053974536 767501970 /nfs/dbraw/zinc/50/19/70/767501970.db2.gz POGFTAQUXQJPHJ-HUUCEWRRSA-N 1 2 333.432 0.370 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001017054680 767523264 /nfs/dbraw/zinc/52/32/64/767523264.db2.gz QLRMDJYNMVDHDE-GMEATFMZSA-N 1 2 346.431 0.659 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2COC3(C[NH+](C[C@H](C)OC)C3)C2)cn1 ZINC001053985512 767534008 /nfs/dbraw/zinc/53/40/08/767534008.db2.gz SEVVQOHFUZDPND-XJKSGUPXSA-N 1 2 329.400 0.671 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ncc3n1CCCC3)CO2 ZINC001054012364 767595794 /nfs/dbraw/zinc/59/57/94/767595794.db2.gz BMGDBLOUKMFTGB-CQSZACIVSA-N 1 2 328.416 0.816 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3nncn3C1)CO2 ZINC001054016685 767607654 /nfs/dbraw/zinc/60/76/54/767607654.db2.gz HXCWXVSCESJYIF-KBPBESRZSA-N 1 2 331.420 0.376 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(=O)n(C)o1 ZINC001054038893 767638447 /nfs/dbraw/zinc/63/84/47/767638447.db2.gz NTBWAYMFDXCQHJ-OAHLLOKOSA-N 1 2 325.368 0.768 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(=O)n(C)o1 ZINC001054038893 767638455 /nfs/dbraw/zinc/63/84/55/767638455.db2.gz NTBWAYMFDXCQHJ-OAHLLOKOSA-N 1 2 325.368 0.768 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)Cc2nnnn2C)C1 ZINC001017214860 767730094 /nfs/dbraw/zinc/73/00/94/767730094.db2.gz CGPYIWUBBUKKIJ-KFWWJZLASA-N 1 2 348.451 0.472 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)Cc2nnnn2C)C1 ZINC001017214860 767730099 /nfs/dbraw/zinc/73/00/99/767730099.db2.gz CGPYIWUBBUKKIJ-KFWWJZLASA-N 1 2 348.451 0.472 20 30 ECEDLO Cc1cc(C)c(C(=O)NC[C@H](O)CNc2ccc(C#N)nn2)c(C)[nH+]1 ZINC001106182838 767742775 /nfs/dbraw/zinc/74/27/75/767742775.db2.gz HYTYWABYCWLSLT-CQSZACIVSA-N 1 2 340.387 0.871 20 30 ECEDLO CCN(CCNc1ncnc2c1C[N@H+](C)CC2)C(=O)CSCC#N ZINC001106693881 768601664 /nfs/dbraw/zinc/60/16/64/768601664.db2.gz HQSCIERMTHPALM-UHFFFAOYSA-N 1 2 348.476 0.982 20 30 ECEDLO CCN(CCNc1ncnc2c1C[N@@H+](C)CC2)C(=O)CSCC#N ZINC001106693881 768601672 /nfs/dbraw/zinc/60/16/72/768601672.db2.gz HQSCIERMTHPALM-UHFFFAOYSA-N 1 2 348.476 0.982 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H](n2cc(C[NH2+]CCF)nn2)C1 ZINC001098789868 768724437 /nfs/dbraw/zinc/72/44/37/768724437.db2.gz KMJHYEOTRICGGH-JSGCOSHPSA-N 1 2 325.388 0.702 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1CC[C@H](n2cc(C[NH2+]CC#CC)nn2)C1 ZINC001098790476 768768804 /nfs/dbraw/zinc/76/88/04/768768804.db2.gz VCNAQZMUMMQPCG-ZBFHGGJFSA-N 1 2 331.420 0.756 20 30 ECEDLO N#Cc1nccnc1N[C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]12 ZINC001060557846 768808885 /nfs/dbraw/zinc/80/88/85/768808885.db2.gz RFPMBQDHCUZDRP-KWCYVHTRSA-N 1 2 337.387 0.963 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C2CCOCC2)nn1 ZINC001018157927 768812550 /nfs/dbraw/zinc/81/25/50/768812550.db2.gz RUPBSGBSHRKFRE-IYBDPMFKSA-N 1 2 343.431 0.942 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C2CCOCC2)nn1 ZINC001018157927 768812556 /nfs/dbraw/zinc/81/25/56/768812556.db2.gz RUPBSGBSHRKFRE-IYBDPMFKSA-N 1 2 343.431 0.942 20 30 ECEDLO C=CCCOCC(=O)N1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001055378462 768834183 /nfs/dbraw/zinc/83/41/83/768834183.db2.gz MFGPMKBOHAHMAZ-IYBDPMFKSA-N 1 2 346.431 0.783 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@H]2C1 ZINC001055386624 768844664 /nfs/dbraw/zinc/84/46/64/768844664.db2.gz WMVLSFZPWRKTCJ-KFWWJZLASA-N 1 2 329.404 0.740 20 30 ECEDLO C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001018228698 768922542 /nfs/dbraw/zinc/92/25/42/768922542.db2.gz CFJUSQFCUHYUDW-JSGCOSHPSA-N 1 2 340.387 0.892 20 30 ECEDLO C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001018240245 768947302 /nfs/dbraw/zinc/94/73/02/768947302.db2.gz VAJKDHOYNVECQU-GXTWGEPZSA-N 1 2 340.387 0.892 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NC1CN(Cc2cc(F)ccc2C#N)C1 ZINC001031260315 768981122 /nfs/dbraw/zinc/98/11/22/768981122.db2.gz PAKVKHPRQGWKOF-UHFFFAOYSA-N 1 2 327.363 0.974 20 30 ECEDLO COc1ccc(C#N)cc1CN1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001031259550 768987383 /nfs/dbraw/zinc/98/73/83/768987383.db2.gz DFPOMIWIITWZKM-UHFFFAOYSA-N 1 2 339.399 0.843 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@@H]1C ZINC000993511232 769175190 /nfs/dbraw/zinc/17/51/90/769175190.db2.gz MSZIVZVYXJOTHN-RYUDHWBXSA-N 1 2 327.816 0.303 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@@H]1C ZINC000993511232 769175193 /nfs/dbraw/zinc/17/51/93/769175193.db2.gz MSZIVZVYXJOTHN-RYUDHWBXSA-N 1 2 327.816 0.303 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@@H](CC)OC)C2)CC1 ZINC001018357878 769182437 /nfs/dbraw/zinc/18/24/37/769182437.db2.gz JCABOWWJBNJLHF-HZPDHXFCSA-N 1 2 337.464 0.980 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3cn[nH]c3)C2)CC1 ZINC001018359148 769188032 /nfs/dbraw/zinc/18/80/32/769188032.db2.gz ZTXFTIAGMIJYNM-AWEZNQCLSA-N 1 2 331.420 0.592 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)Cc3ccon3)C2)CC1 ZINC001018362647 769199689 /nfs/dbraw/zinc/19/96/89/769199689.db2.gz HSDODAODLRTXSR-OAHLLOKOSA-N 1 2 346.431 0.786 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)C[C@@H]3CCOC3)C2)CC1 ZINC001018364890 769208154 /nfs/dbraw/zinc/20/81/54/769208154.db2.gz XKKPKKFKQIBGAK-DLBZAZTESA-N 1 2 349.475 0.982 20 30 ECEDLO C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001042083580 782731814 /nfs/dbraw/zinc/73/18/14/782731814.db2.gz CCOUAYCIVHPGCO-BXUZGUMPSA-N 1 2 325.376 0.265 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)c2cn[nH]n2)CC1 ZINC001055596691 769216327 /nfs/dbraw/zinc/21/63/27/769216327.db2.gz APDVHKHOOOTEFZ-QWHCGFSZSA-N 1 2 348.451 0.573 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)c2cnn[nH]2)CC1 ZINC001055596691 769216333 /nfs/dbraw/zinc/21/63/33/769216333.db2.gz APDVHKHOOOTEFZ-QWHCGFSZSA-N 1 2 348.451 0.573 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC)C[C@H]1c1c[nH+]cn1C ZINC000993576316 769282620 /nfs/dbraw/zinc/28/26/20/769282620.db2.gz SMSXQZTYRLSIAT-KQTLUZQSSA-N 1 2 346.431 0.832 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)c2cnco2)C1 ZINC000993629065 769441306 /nfs/dbraw/zinc/44/13/06/769441306.db2.gz AOGYPSJFQFISAQ-IJLUTSLNSA-N 1 2 342.359 0.292 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993684609 769476977 /nfs/dbraw/zinc/47/69/77/769476977.db2.gz CTINXUAXQSGMTE-DOMZBBRYSA-N 1 2 339.403 0.865 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCC[N@H+]1Cc1ccccc1C#N ZINC000993684609 769476986 /nfs/dbraw/zinc/47/69/86/769476986.db2.gz CTINXUAXQSGMTE-DOMZBBRYSA-N 1 2 339.403 0.865 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2nnn(C)n2)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000993691295 769523301 /nfs/dbraw/zinc/52/33/01/769523301.db2.gz SUODTLLZLIWUIM-GDBMZVCRSA-N 1 2 338.415 0.845 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2nnn(C)n2)CCC[N@H+]1CC#Cc1ccccc1 ZINC000993691295 769523307 /nfs/dbraw/zinc/52/33/07/769523307.db2.gz SUODTLLZLIWUIM-GDBMZVCRSA-N 1 2 338.415 0.845 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2nn(C)cc2Cl)C1 ZINC001078358725 782769897 /nfs/dbraw/zinc/76/98/97/782769897.db2.gz VLPWAXWPNBCDKA-NEPJUHHUSA-N 1 2 339.827 0.940 20 30 ECEDLO C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001055823538 769857143 /nfs/dbraw/zinc/85/71/43/769857143.db2.gz FAGOGDUVRBOHFZ-KRWDZBQOSA-N 1 2 334.420 0.399 20 30 ECEDLO CC(C)(C(=O)N1CCN(c2ccc(C#N)nn2)CC1)[NH+]1CCOCC1 ZINC001055852501 769976935 /nfs/dbraw/zinc/97/69/35/769976935.db2.gz HTRJBSBDUQEACA-UHFFFAOYSA-N 1 2 344.419 0.108 20 30 ECEDLO N#Cc1cnc(N2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)cn1 ZINC001055940753 770301142 /nfs/dbraw/zinc/30/11/42/770301142.db2.gz QSCVPBVDLOXLHX-ZDUSSCGKSA-N 1 2 337.387 0.456 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC)[C@@H]1C ZINC000994207752 770305818 /nfs/dbraw/zinc/30/58/18/770305818.db2.gz SQUVMPSGHBPPOJ-ZIAGYGMSSA-N 1 2 346.431 0.975 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC)[C@@H]1C ZINC000994207752 770305830 /nfs/dbraw/zinc/30/58/30/770305830.db2.gz SQUVMPSGHBPPOJ-ZIAGYGMSSA-N 1 2 346.431 0.975 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)[C@@H]1C ZINC000994245180 770404671 /nfs/dbraw/zinc/40/46/71/770404671.db2.gz XCANCHGIHJHOQB-TZMCWYRMSA-N 1 2 330.388 0.162 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)[C@@H]1C ZINC000994245180 770404674 /nfs/dbraw/zinc/40/46/74/770404674.db2.gz XCANCHGIHJHOQB-TZMCWYRMSA-N 1 2 330.388 0.162 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3nonc3C)C2)nn1 ZINC001098798405 770482616 /nfs/dbraw/zinc/48/26/16/770482616.db2.gz WHAKJOUQBNHWFF-ZDUSSCGKSA-N 1 2 329.364 0.170 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001055997682 770497918 /nfs/dbraw/zinc/49/79/18/770497918.db2.gz FUJHPMKJNFRDEM-QGZVFWFLSA-N 1 2 334.420 0.565 20 30 ECEDLO N#Cc1nccnc1N1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001056012072 770547980 /nfs/dbraw/zinc/54/79/80/770547980.db2.gz WORHYXRPNUDBCW-LBPRGKRZSA-N 1 2 337.387 0.840 20 30 ECEDLO CC(C)C#CC(=O)N1CCC[C@](CO)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001056024251 770596563 /nfs/dbraw/zinc/59/65/63/770596563.db2.gz AOFZEDCROUJENF-SFHVURJKSA-N 1 2 346.431 0.402 20 30 ECEDLO Cc1cc(C#N)nc(N2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)n1 ZINC001056046670 770665356 /nfs/dbraw/zinc/66/53/56/770665356.db2.gz WEVNOGBOZPHHEN-LBPRGKRZSA-N 1 2 339.403 0.907 20 30 ECEDLO Cc1cc(C#N)nc(N2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)n1 ZINC001056046670 770665363 /nfs/dbraw/zinc/66/53/63/770665363.db2.gz WEVNOGBOZPHHEN-LBPRGKRZSA-N 1 2 339.403 0.907 20 30 ECEDLO C#CCOCCC(=O)N[C@H](C)C[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001089396773 771042499 /nfs/dbraw/zinc/04/24/99/771042499.db2.gz PSBOGLFCWUGVHB-OLZOCXBDSA-N 1 2 348.451 0.981 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056313498 771109644 /nfs/dbraw/zinc/10/96/44/771109644.db2.gz BKYJKIWGJHZAOE-GJZGRUSLSA-N 1 2 332.404 0.747 20 30 ECEDLO N#Cc1cnc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cccc3[nH+]ccn32)cn1 ZINC001056344726 771151845 /nfs/dbraw/zinc/15/18/45/771151845.db2.gz OMSIAEFYKCEAIH-LAQFHYBYSA-N 1 2 345.366 0.861 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001019362877 771205377 /nfs/dbraw/zinc/20/53/77/771205377.db2.gz HLRWXFWXSHASRB-CYBMUJFWSA-N 1 2 329.404 0.573 20 30 ECEDLO N#Cc1cnc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)cn1 ZINC001056399496 771223774 /nfs/dbraw/zinc/22/37/74/771223774.db2.gz PJVARHSCSOPDON-BCUIYNNISA-N 1 2 349.398 0.742 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056401108 771225705 /nfs/dbraw/zinc/22/57/05/771225705.db2.gz AOUXJVKJPMJNDJ-LSDHHAIUSA-N 1 2 344.415 0.584 20 30 ECEDLO N#Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)nn1 ZINC001056463554 771299373 /nfs/dbraw/zinc/29/93/73/771299373.db2.gz FTQUVITYNNSSPR-MXOJCPGVSA-N 1 2 335.371 0.426 20 30 ECEDLO N#Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)nn1 ZINC001056463554 771299376 /nfs/dbraw/zinc/29/93/76/771299376.db2.gz FTQUVITYNNSSPR-MXOJCPGVSA-N 1 2 335.371 0.426 20 30 ECEDLO N#Cc1cnc(N2CCCO[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC001089547298 771446056 /nfs/dbraw/zinc/44/60/56/771446056.db2.gz DXZFZOTWCUNDAY-CYBMUJFWSA-N 1 2 341.375 0.026 20 30 ECEDLO N#Cc1ccc(N2CCCO[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC001089549424 771457974 /nfs/dbraw/zinc/45/79/74/771457974.db2.gz VHDIOSLUQJGFOP-OAHLLOKOSA-N 1 2 340.387 0.631 20 30 ECEDLO N#Cc1nccnc1N[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001056726252 771560561 /nfs/dbraw/zinc/56/05/61/771560561.db2.gz XJFYZJSJZVPTRN-CHWSQXEVSA-N 1 2 337.387 0.820 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 ZINC001212246510 771569423 /nfs/dbraw/zinc/56/94/23/771569423.db2.gz VAWRHOBHPCNHCO-IAGOWNOFSA-N 1 2 347.459 0.640 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 ZINC001212246510 771569425 /nfs/dbraw/zinc/56/94/25/771569425.db2.gz VAWRHOBHPCNHCO-IAGOWNOFSA-N 1 2 347.459 0.640 20 30 ECEDLO CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001057059019 772011968 /nfs/dbraw/zinc/01/19/68/772011968.db2.gz GZZIWZGKQGGXLF-CYBMUJFWSA-N 1 2 325.376 0.741 20 30 ECEDLO CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001057059019 772011973 /nfs/dbraw/zinc/01/19/73/772011973.db2.gz GZZIWZGKQGGXLF-CYBMUJFWSA-N 1 2 325.376 0.741 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CCCN(c2ccnc(C#N)n2)CC1 ZINC001057165391 772202646 /nfs/dbraw/zinc/20/26/46/772202646.db2.gz SIBASSNVJIJGOY-UHFFFAOYSA-N 1 2 339.403 0.753 20 30 ECEDLO C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001057172599 772213128 /nfs/dbraw/zinc/21/31/28/772213128.db2.gz KIZFWELVPUIHLG-AWEZNQCLSA-N 1 2 334.420 0.349 20 30 ECEDLO C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001057172753 772213200 /nfs/dbraw/zinc/21/32/00/772213200.db2.gz QHNNJWPDYXXCIF-AWEZNQCLSA-N 1 2 334.420 0.349 20 30 ECEDLO N#Cc1ccc(N2CCCN(C(=O)CCc3c[nH]c[nH+]3)CC2)nn1 ZINC001057250426 772342564 /nfs/dbraw/zinc/34/25/64/772342564.db2.gz WKHZUPQMTNCZBE-UHFFFAOYSA-N 1 2 325.376 0.743 20 30 ECEDLO N#Cc1ccc(N2CCCN(C(=O)CCc3c[nH+]c[nH]3)CC2)nn1 ZINC001057250426 772342569 /nfs/dbraw/zinc/34/25/69/772342569.db2.gz WKHZUPQMTNCZBE-UHFFFAOYSA-N 1 2 325.376 0.743 20 30 ECEDLO CC(C)(C(=O)N1CCC[C@H](Nc2ccnc(C#N)n2)C1)c1c[nH+]c[nH]1 ZINC001057670967 772898074 /nfs/dbraw/zinc/89/80/74/772898074.db2.gz JDRVCBXXDYILJM-LBPRGKRZSA-N 1 2 339.403 0.874 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CCC[C@H](Nc2ccnc(C#N)n2)C1 ZINC001057679557 772906273 /nfs/dbraw/zinc/90/62/73/772906273.db2.gz FTTUWMJXYZPHAT-ZDUSSCGKSA-N 1 2 339.403 0.539 20 30 ECEDLO C#CCCCC(=O)NCCN(CCO)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001057710867 772934156 /nfs/dbraw/zinc/93/41/56/772934156.db2.gz BLAXOIUAFCERNJ-CQSZACIVSA-N 1 2 334.420 0.329 20 30 ECEDLO C#CCCCC(=O)NCCN(CCO)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001057710867 772934158 /nfs/dbraw/zinc/93/41/58/772934158.db2.gz BLAXOIUAFCERNJ-CQSZACIVSA-N 1 2 334.420 0.329 20 30 ECEDLO N#Cc1nccc(N[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)n1 ZINC001057728362 772949076 /nfs/dbraw/zinc/94/90/76/772949076.db2.gz MWLZYBZPXSDYKN-CYBMUJFWSA-N 1 2 325.376 0.460 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001057765714 772969524 /nfs/dbraw/zinc/96/95/24/772969524.db2.gz BQAWDRUMZTYYCI-QWHCGFSZSA-N 1 2 339.403 0.775 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001057765714 772969526 /nfs/dbraw/zinc/96/95/26/772969526.db2.gz BQAWDRUMZTYYCI-QWHCGFSZSA-N 1 2 339.403 0.775 20 30 ECEDLO Cc1cc(C#N)nc(N2CCC(NC(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC001057894163 773146000 /nfs/dbraw/zinc/14/60/00/773146000.db2.gz ZSDBYYTWCMPTGD-UHFFFAOYSA-N 1 2 325.376 0.708 20 30 ECEDLO C[C@@H](Nc1ccnc(C#N)n1)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001058014124 773369515 /nfs/dbraw/zinc/36/95/15/773369515.db2.gz IUXCGFCXPNVGOU-KGLIPLIRSA-N 1 2 339.403 0.848 20 30 ECEDLO C#CCCCCC(=O)NCCN(CCO)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001058160910 773667952 /nfs/dbraw/zinc/66/79/52/773667952.db2.gz PNOFDMQFURRURB-UHFFFAOYSA-N 1 2 348.447 0.818 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001058320510 773969837 /nfs/dbraw/zinc/96/98/37/773969837.db2.gz DPPPBCACARVCAM-LLVKDONJSA-N 1 2 336.359 0.572 20 30 ECEDLO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)CCc1[nH+]ccn1C ZINC001058354435 774024770 /nfs/dbraw/zinc/02/47/70/774024770.db2.gz KNZYHWZMOXRVML-UHFFFAOYSA-N 1 2 336.436 0.502 20 30 ECEDLO CCc1nc(C#N)cc(N2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)n1 ZINC001058402989 774114729 /nfs/dbraw/zinc/11/47/29/774114729.db2.gz CWCQWCLUGKEYHA-LBPRGKRZSA-N 1 2 339.403 0.582 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(C1)CC[NH+](Cc1nc(=O)n(C)[nH]1)CC2 ZINC001040641148 783160371 /nfs/dbraw/zinc/16/03/71/783160371.db2.gz KVCHLQWWDYABCU-LBPRGKRZSA-N 1 2 332.408 0.083 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(C1)CC[NH+](Cc1nc(=O)n(C)[nH]1)CC2 ZINC001040641147 783160419 /nfs/dbraw/zinc/16/04/19/783160419.db2.gz KVCHLQWWDYABCU-GFCCVEGCSA-N 1 2 332.408 0.083 20 30 ECEDLO C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001058470262 774246879 /nfs/dbraw/zinc/24/68/79/774246879.db2.gz FWBZQXFBQUKQJM-CQSZACIVSA-N 1 2 336.436 0.882 20 30 ECEDLO C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001058470262 774246883 /nfs/dbraw/zinc/24/68/83/774246883.db2.gz FWBZQXFBQUKQJM-CQSZACIVSA-N 1 2 336.436 0.882 20 30 ECEDLO N#Cc1nccc(N2CC[C@H](NC(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)n1 ZINC001058481527 774273053 /nfs/dbraw/zinc/27/30/53/774273053.db2.gz UQCLPXHYXXHNEU-OLZOCXBDSA-N 1 2 337.387 0.502 20 30 ECEDLO C=C(C)C[NH2+][C@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H](C)C1 ZINC001044777232 774600701 /nfs/dbraw/zinc/60/07/01/774600701.db2.gz QWTRBMUCXDWNCP-OLZOCXBDSA-N 1 2 344.419 0.616 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001044979207 774792349 /nfs/dbraw/zinc/79/23/49/774792349.db2.gz DDUOKDARLRSDRQ-KBPBESRZSA-N 1 2 348.447 0.500 20 30 ECEDLO C#Cc1ccccc1CC(=O)N(C)C1C[NH+](CCN2CCNC2=O)C1 ZINC001044231929 775946404 /nfs/dbraw/zinc/94/64/04/775946404.db2.gz DPNZMCOSVWGIQA-UHFFFAOYSA-N 1 2 340.427 0.378 20 30 ECEDLO Cc1cc(C#N)nc(NC[C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001068500803 790418694 /nfs/dbraw/zinc/41/86/94/790418694.db2.gz KWCRLLVKFNRAEJ-JOCQHMNTSA-N 1 2 325.376 0.860 20 30 ECEDLO N#Cc1ccc(N2C[C@@H](NC(=O)c3cccc4[nH+]ccn43)[C@@H](O)C2)nc1 ZINC001044321446 776146671 /nfs/dbraw/zinc/14/66/71/776146671.db2.gz BETJEICYTDUEQU-HIFRSBDPSA-N 1 2 348.366 0.580 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc(C3CC3)nc2)[C@@H](n2ccnn2)C1 ZINC001070046997 790442492 /nfs/dbraw/zinc/44/24/92/790442492.db2.gz ZXGSELSDMFHWBL-CABCVRRESA-N 1 2 337.387 0.234 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc(C3CC3)nc2)[C@@H](n2ccnn2)C1 ZINC001070046997 790442498 /nfs/dbraw/zinc/44/24/98/790442498.db2.gz ZXGSELSDMFHWBL-CABCVRRESA-N 1 2 337.387 0.234 20 30 ECEDLO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001044460187 776320480 /nfs/dbraw/zinc/32/04/80/776320480.db2.gz LSCFYGAMVGQDBS-UHFFFAOYSA-N 1 2 334.420 0.589 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(C)nc(C)n2)[C@@H](n2ccnn2)C1 ZINC001070051615 790456573 /nfs/dbraw/zinc/45/65/73/790456573.db2.gz GQAREUPIMRLRQY-CABCVRRESA-N 1 2 327.392 0.526 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)nc(C)n2)[C@@H](n2ccnn2)C1 ZINC001070051615 790456584 /nfs/dbraw/zinc/45/65/84/790456584.db2.gz GQAREUPIMRLRQY-CABCVRRESA-N 1 2 327.392 0.526 20 30 ECEDLO CC#CCCCC(=O)N1CC(O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001044714838 776687662 /nfs/dbraw/zinc/68/76/62/776687662.db2.gz OQXJVYQGNKBLSY-UHFFFAOYSA-N 1 2 346.431 0.236 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001079776920 776852557 /nfs/dbraw/zinc/85/25/57/776852557.db2.gz OVWACGSHXBCEET-AWEZNQCLSA-N 1 2 346.431 0.450 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2coc(COC)n2)[C@@H](n2ccnn2)C1 ZINC001070067937 790497323 /nfs/dbraw/zinc/49/73/23/790497323.db2.gz XALBZPPIPGQXSE-OCCSQVGLSA-N 1 2 344.375 0.091 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2coc(COC)n2)[C@@H](n2ccnn2)C1 ZINC001070067937 790497331 /nfs/dbraw/zinc/49/73/31/790497331.db2.gz XALBZPPIPGQXSE-OCCSQVGLSA-N 1 2 344.375 0.091 20 30 ECEDLO CCN(C(=O)[C@H](C1CC1)[NH+]1CCOCC1)C1CN(C(=O)[C@@H](C)C#N)C1 ZINC001079868338 777001483 /nfs/dbraw/zinc/00/14/83/777001483.db2.gz JYDQPJFSOHMTAT-BBRMVZONSA-N 1 2 348.447 0.316 20 30 ECEDLO C=CCOCC(=O)NC[C@@H]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)O1 ZINC001068538937 790514179 /nfs/dbraw/zinc/51/41/79/790514179.db2.gz BSCSMLKLDPPRKW-ZDUSSCGKSA-N 1 2 348.403 0.031 20 30 ECEDLO C=CCOCC(=O)N1CC(N(CC)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001079999568 777212993 /nfs/dbraw/zinc/21/29/93/777212993.db2.gz ZJBCZRVAZXFTCE-AWEZNQCLSA-N 1 2 346.431 0.707 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)Cc2c[nH+]cn2C)C1 ZINC001080141256 777452193 /nfs/dbraw/zinc/45/21/93/777452193.db2.gz BUACVEQULGCQSI-QGZVFWFLSA-N 1 2 334.420 0.349 20 30 ECEDLO CCN(C(=O)Cc1[nH]c[nH+]c1C)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001080198615 777542178 /nfs/dbraw/zinc/54/21/78/777542178.db2.gz PWPZUKALZFBGGI-UHFFFAOYSA-N 1 2 340.387 0.834 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)CCc2[nH+]ccn2C)C1 ZINC001080241873 777596262 /nfs/dbraw/zinc/59/62/62/777596262.db2.gz WCUYYKJHYPICME-SFHVURJKSA-N 1 2 348.447 0.739 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(F)cc2F)[C@@H](n2ccnn2)C1 ZINC001070086794 790558034 /nfs/dbraw/zinc/55/80/34/790558034.db2.gz NLLYDJFJHVVZPG-CABCVRRESA-N 1 2 331.326 0.845 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(F)cc2F)[C@@H](n2ccnn2)C1 ZINC001070086794 790558043 /nfs/dbraw/zinc/55/80/43/790558043.db2.gz NLLYDJFJHVVZPG-CABCVRRESA-N 1 2 331.326 0.845 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cnnn3CC)C[C@H]2C)nn1 ZINC001080580393 778085850 /nfs/dbraw/zinc/08/58/50/778085850.db2.gz XGFSALYGHVQOJR-TZMCWYRMSA-N 1 2 344.423 0.326 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cnnn3CC)C[C@H]2C)nn1 ZINC001080580393 778085861 /nfs/dbraw/zinc/08/58/61/778085861.db2.gz XGFSALYGHVQOJR-TZMCWYRMSA-N 1 2 344.423 0.326 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccn(C)n3)C[C@H]2C)nn1 ZINC001080580099 778086103 /nfs/dbraw/zinc/08/61/03/778086103.db2.gz IWVSRDSJFIZQAU-TZMCWYRMSA-N 1 2 329.408 0.448 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccn(C)n3)C[C@H]2C)nn1 ZINC001080580099 778086114 /nfs/dbraw/zinc/08/61/14/778086114.db2.gz IWVSRDSJFIZQAU-TZMCWYRMSA-N 1 2 329.408 0.448 20 30 ECEDLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CCC2(CN(C(=O)C#CC3CC3)C2)O1 ZINC001068613137 790709644 /nfs/dbraw/zinc/70/96/44/790709644.db2.gz RFYIOLJAABRWEZ-AWEZNQCLSA-N 1 2 342.399 0.242 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1C[NH+](C[C@H]2CCc3ncnn32)C1 ZINC001042628926 780553468 /nfs/dbraw/zinc/55/34/68/780553468.db2.gz PHJVIEALGCRHKW-GFCCVEGCSA-N 1 2 325.376 0.422 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001079092510 780756975 /nfs/dbraw/zinc/75/69/75/780756975.db2.gz GRGOMYSLLPDKLN-HNNXBMFYSA-N 1 2 334.420 0.994 20 30 ECEDLO CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001042850614 780942307 /nfs/dbraw/zinc/94/23/07/780942307.db2.gz LHQGBKAHNSEMMC-HUUCEWRRSA-N 1 2 326.360 0.170 20 30 ECEDLO CC(C)C#CC(=O)NCC1(O)CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001042941617 781074283 /nfs/dbraw/zinc/07/42/83/781074283.db2.gz PPNXFFOWALZQEK-CQSZACIVSA-N 1 2 332.404 0.183 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cnns3)C2)C1=O ZINC001079454880 781137705 /nfs/dbraw/zinc/13/77/05/781137705.db2.gz OCGBEUDVZMTZBS-IJLUTSLNSA-N 1 2 335.433 0.375 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3cnns3)C2)C1=O ZINC001079454880 781137709 /nfs/dbraw/zinc/13/77/09/781137709.db2.gz OCGBEUDVZMTZBS-IJLUTSLNSA-N 1 2 335.433 0.375 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3c(C)noc3C)C[C@H]2O)c1 ZINC001077647890 781421594 /nfs/dbraw/zinc/42/15/94/781421594.db2.gz QNVSCSKBSWOMQP-IAGOWNOFSA-N 1 2 340.383 0.643 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3c(C)noc3C)C[C@H]2O)c1 ZINC001077647890 781421600 /nfs/dbraw/zinc/42/16/00/781421600.db2.gz QNVSCSKBSWOMQP-IAGOWNOFSA-N 1 2 340.383 0.643 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)ns3)C[C@H]2O)c1 ZINC001077649904 781423675 /nfs/dbraw/zinc/42/36/75/781423675.db2.gz JXTCNUFZAIZDTR-HZPDHXFCSA-N 1 2 342.424 0.803 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)ns3)C[C@H]2O)c1 ZINC001077649904 781423683 /nfs/dbraw/zinc/42/36/83/781423683.db2.gz JXTCNUFZAIZDTR-HZPDHXFCSA-N 1 2 342.424 0.803 20 30 ECEDLO N#Cc1nccnc1NC[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC001041506490 781655709 /nfs/dbraw/zinc/65/57/09/781655709.db2.gz RTPDMUTXJXGXNQ-ZDUSSCGKSA-N 1 2 341.375 0.274 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)cccc2NC(C)=O)C1 ZINC001077774062 781674710 /nfs/dbraw/zinc/67/47/10/781674710.db2.gz JBKSKPDSMKNDLK-HUUCEWRRSA-N 1 2 333.363 0.582 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)cccc2NC(C)=O)C1 ZINC001077774062 781674715 /nfs/dbraw/zinc/67/47/15/781674715.db2.gz JBKSKPDSMKNDLK-HUUCEWRRSA-N 1 2 333.363 0.582 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cncc(C)c3)C[C@H]2O)nn1 ZINC001077802742 781724455 /nfs/dbraw/zinc/72/44/55/781724455.db2.gz XFLHZPLWICIQAW-GDBMZVCRSA-N 1 2 342.403 0.143 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cncc(C)c3)C[C@H]2O)nn1 ZINC001077802742 781724457 /nfs/dbraw/zinc/72/44/57/781724457.db2.gz XFLHZPLWICIQAW-GDBMZVCRSA-N 1 2 342.403 0.143 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21 ZINC001040680112 783243382 /nfs/dbraw/zinc/24/33/82/783243382.db2.gz LFJBCTPIHYVOSZ-SWLSCSKDSA-N 1 2 337.387 0.660 20 30 ECEDLO C=CCC(CC=C)C(=O)N1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040697274 783290150 /nfs/dbraw/zinc/29/01/50/783290150.db2.gz RHFBYVZCATVIDM-SFHVURJKSA-N 1 2 346.431 0.800 20 30 ECEDLO C#CCC1(C(=O)NC[C@@]2(O)CCN(C(=O)Cn3cc[nH+]c3)C2)CCC1 ZINC001040059515 783462664 /nfs/dbraw/zinc/46/26/64/783462664.db2.gz JCWZRDKOWPBBAX-SFHVURJKSA-N 1 2 344.415 0.156 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NC[C@]1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001040814291 783492865 /nfs/dbraw/zinc/49/28/65/783492865.db2.gz WVXMWAKIIIHZHP-DLBZAZTESA-N 1 2 334.420 0.634 20 30 ECEDLO C=CCC1(C(=O)NC[C@@]2(O)CCN(C(=O)Cc3[nH]cc[nH+]3)C2)CCC1 ZINC001040814635 783493730 /nfs/dbraw/zinc/49/37/30/783493730.db2.gz IVVRSEUKTOXIQR-SFHVURJKSA-N 1 2 346.431 0.778 20 30 ECEDLO C#CCCCC(=O)NCC1(NC(=O)Cc2c[nH+]cn2C)CCOCC1 ZINC001070172532 783590922 /nfs/dbraw/zinc/59/09/22/783590922.db2.gz FBQJWPFWSFFJEK-UHFFFAOYSA-N 1 2 346.431 0.548 20 30 ECEDLO C[C@H](C#N)C(=O)NC1(CNC(=O)CCCn2cc[nH+]c2)CCOCC1 ZINC001070233717 783711553 /nfs/dbraw/zinc/71/15/53/783711553.db2.gz CRQFWMMCVBQHJR-CQSZACIVSA-N 1 2 347.419 0.605 20 30 ECEDLO C#CC[N@H+]1C[C@@H](c2nc(CNC(=O)[C@@H]3CCCO3)n[nH]2)[C@H](C2CC2)C1 ZINC001070351070 783859514 /nfs/dbraw/zinc/85/95/14/783859514.db2.gz FVPCKYBNOOILKQ-ZNMIVQPWSA-N 1 2 343.431 0.659 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](c2nc(CNC(=O)[C@@H]3CCCO3)n[nH]2)[C@H](C2CC2)C1 ZINC001070351070 783859520 /nfs/dbraw/zinc/85/95/20/783859520.db2.gz FVPCKYBNOOILKQ-ZNMIVQPWSA-N 1 2 343.431 0.659 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)c2ncccc2C)C1=O ZINC001038148264 783918716 /nfs/dbraw/zinc/91/87/16/783918716.db2.gz SFYVUHSVJXOQBY-CABCVRRESA-N 1 2 328.416 0.981 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)c2ncccc2C)C1=O ZINC001038148264 783918724 /nfs/dbraw/zinc/91/87/24/783918724.db2.gz SFYVUHSVJXOQBY-CABCVRRESA-N 1 2 328.416 0.981 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C(N)=O)c2)c[nH]1 ZINC001038174701 783950514 /nfs/dbraw/zinc/95/05/14/783950514.db2.gz IUFZXFFKTXLACQ-MRXNPFEDSA-N 1 2 337.383 0.990 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C(N)=O)c2)c[nH]1 ZINC001038174701 783950520 /nfs/dbraw/zinc/95/05/20/783950520.db2.gz IUFZXFFKTXLACQ-MRXNPFEDSA-N 1 2 337.383 0.990 20 30 ECEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2COC(=O)N2)cc1C#N ZINC001038223402 784017647 /nfs/dbraw/zinc/01/76/47/784017647.db2.gz SUMIBTZLIBFWNI-UONOGXRCSA-N 1 2 344.371 0.366 20 30 ECEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2COC(=O)N2)cc1C#N ZINC001038223402 784017652 /nfs/dbraw/zinc/01/76/52/784017652.db2.gz SUMIBTZLIBFWNI-UONOGXRCSA-N 1 2 344.371 0.366 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cnccn2)C1 ZINC001070902190 784080704 /nfs/dbraw/zinc/08/07/04/784080704.db2.gz XAKXESNHIYSCTL-CFVMTHIKSA-N 1 2 343.387 0.382 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cnccn2)C1 ZINC001070902190 784080711 /nfs/dbraw/zinc/08/07/11/784080711.db2.gz XAKXESNHIYSCTL-CFVMTHIKSA-N 1 2 343.387 0.382 20 30 ECEDLO CC#CC[NH+]1CC2(C1)CN(C(=O)c1ncc[nH]1)C[C@H]2c1nnc(C)[nH]1 ZINC001070443044 784089122 /nfs/dbraw/zinc/08/91/22/784089122.db2.gz VXNQFPRIRLDBIU-ZDUSSCGKSA-N 1 2 339.403 0.401 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1cnco1)C[C@H]2c1nnc(C)[nH]1 ZINC001070447353 784101488 /nfs/dbraw/zinc/10/14/88/784101488.db2.gz JABOAALNCBJEKH-LBPRGKRZSA-N 1 2 326.360 0.276 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@@]1(F)CCOC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070447209 784101966 /nfs/dbraw/zinc/10/19/66/784101966.db2.gz FWIUZFGCOXKKHE-SUMWQHHRSA-N 1 2 347.394 0.103 20 30 ECEDLO O=C(C#CC1CC1)N[C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001070914334 784105753 /nfs/dbraw/zinc/10/57/53/784105753.db2.gz PINRLHHCKHMTEP-JKSUJKDBSA-N 1 2 340.427 0.966 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2nc(C)c[nH]2)C1 ZINC001070921320 784119393 /nfs/dbraw/zinc/11/93/93/784119393.db2.gz VNOXHGLJDVMJLI-MJBXVCDLSA-N 1 2 345.403 0.624 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2nc(C)c[nH]2)C1 ZINC001070921320 784119400 /nfs/dbraw/zinc/11/94/00/784119400.db2.gz VNOXHGLJDVMJLI-MJBXVCDLSA-N 1 2 345.403 0.624 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001070925396 784126810 /nfs/dbraw/zinc/12/68/10/784126810.db2.gz GECCZVFTEDYMEY-MGPQQGTHSA-N 1 2 332.404 0.823 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001070925396 784126816 /nfs/dbraw/zinc/12/68/16/784126816.db2.gz GECCZVFTEDYMEY-MGPQQGTHSA-N 1 2 332.404 0.823 20 30 ECEDLO COCC(=O)N1CCC(=O)NCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001070929143 784136183 /nfs/dbraw/zinc/13/61/83/784136183.db2.gz UQVZPVZSDLFNCP-UHFFFAOYSA-N 1 2 344.415 0.355 20 30 ECEDLO COCC(=O)N1CCC(=O)NCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001070929143 784136193 /nfs/dbraw/zinc/13/61/93/784136193.db2.gz UQVZPVZSDLFNCP-UHFFFAOYSA-N 1 2 344.415 0.355 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(OC)ncn2)CC1 ZINC001070964460 784248669 /nfs/dbraw/zinc/24/86/69/784248669.db2.gz JOZIODSIPAHGBN-UHFFFAOYSA-N 1 2 347.419 0.325 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2cc(OC)ncn2)CC1 ZINC001070964460 784248676 /nfs/dbraw/zinc/24/86/76/784248676.db2.gz JOZIODSIPAHGBN-UHFFFAOYSA-N 1 2 347.419 0.325 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(OCC)no2)CC1 ZINC001070980053 784306591 /nfs/dbraw/zinc/30/65/91/784306591.db2.gz NABLELJYNLRJNH-UHFFFAOYSA-N 1 2 348.403 0.361 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(OCC)no2)CC1 ZINC001070980053 784306598 /nfs/dbraw/zinc/30/65/98/784306598.db2.gz NABLELJYNLRJNH-UHFFFAOYSA-N 1 2 348.403 0.361 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC(=O)NCC[N@@H+](CCOC)CC2)cc1 ZINC001070983889 784319371 /nfs/dbraw/zinc/31/93/71/784319371.db2.gz KIHOVRAMRXDOMQ-UHFFFAOYSA-N 1 2 343.427 0.578 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC(=O)NCC[N@H+](CCOC)CC2)cc1 ZINC001070983889 784319379 /nfs/dbraw/zinc/31/93/79/784319379.db2.gz KIHOVRAMRXDOMQ-UHFFFAOYSA-N 1 2 343.427 0.578 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2c(C)nn(C)c2C)CC1 ZINC001070983995 784320454 /nfs/dbraw/zinc/32/04/54/784320454.db2.gz PDVGXSPITWIKGR-UHFFFAOYSA-N 1 2 345.447 0.324 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2c(C)nn(C)c2C)CC1 ZINC001070983995 784320462 /nfs/dbraw/zinc/32/04/62/784320462.db2.gz PDVGXSPITWIKGR-UHFFFAOYSA-N 1 2 345.447 0.324 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2ccc(OC)cn2)CC1 ZINC001070992612 784346282 /nfs/dbraw/zinc/34/62/82/784346282.db2.gz QCBKKALCPNDAHE-UHFFFAOYSA-N 1 2 346.431 0.469 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2ccc(OC)cn2)CC1 ZINC001070992612 784346293 /nfs/dbraw/zinc/34/62/93/784346293.db2.gz QCBKKALCPNDAHE-UHFFFAOYSA-N 1 2 346.431 0.469 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)Cc2nonc2C)CC1 ZINC001071013169 784412385 /nfs/dbraw/zinc/41/23/85/784412385.db2.gz SWKNWSLNJDESFR-UHFFFAOYSA-N 1 2 335.408 0.147 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)Cc2nonc2C)CC1 ZINC001071013169 784412392 /nfs/dbraw/zinc/41/23/92/784412392.db2.gz SWKNWSLNJDESFR-UHFFFAOYSA-N 1 2 335.408 0.147 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@H](C)n2cccn2)CC1 ZINC001071014376 784415867 /nfs/dbraw/zinc/41/58/67/784415867.db2.gz LNOPTSUCIJRBGU-HNNXBMFYSA-N 1 2 333.436 0.671 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C[C@H](C)n2cccn2)CC1 ZINC001071014376 784415875 /nfs/dbraw/zinc/41/58/75/784415875.db2.gz LNOPTSUCIJRBGU-HNNXBMFYSA-N 1 2 333.436 0.671 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC(=O)NCC[N@@H+](CC(=C)C)CC2)cn1 ZINC001071016726 784427764 /nfs/dbraw/zinc/42/77/64/784427764.db2.gz SYNKPSQMMYGEEY-UHFFFAOYSA-N 1 2 340.427 0.903 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC(=O)NCC[N@H+](CC(=C)C)CC2)cn1 ZINC001071016726 784427773 /nfs/dbraw/zinc/42/77/73/784427773.db2.gz SYNKPSQMMYGEEY-UHFFFAOYSA-N 1 2 340.427 0.903 20 30 ECEDLO Cc1cc(CC(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)[nH]n1 ZINC001070637963 784474245 /nfs/dbraw/zinc/47/42/45/784474245.db2.gz OXICDDWFYUIYQG-ZIAGYGMSSA-N 1 2 327.392 0.102 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)Cc2ncccc2F)C[C@H]1NCC#N ZINC001070682357 784546719 /nfs/dbraw/zinc/54/67/19/784546719.db2.gz XKRKOOYFWAFZFX-IUODEOHRSA-N 1 2 342.378 0.604 20 30 ECEDLO Cc1ncc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)c(C)n1 ZINC001070704001 784570750 /nfs/dbraw/zinc/57/07/50/784570750.db2.gz YSMRLTAJEFBKGH-HUUCEWRRSA-N 1 2 339.403 0.548 20 30 ECEDLO Cc1n[nH]c(C)c1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070703981 784570801 /nfs/dbraw/zinc/57/08/01/784570801.db2.gz YDTFBAQPXLYXOT-CHWSQXEVSA-N 1 2 327.392 0.481 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)COc2ccsc2)C[C@H]1NCC#N ZINC001070710496 784579899 /nfs/dbraw/zinc/57/98/99/784579899.db2.gz DABMDVADPQZXRB-ZIAGYGMSSA-N 1 2 345.428 0.968 20 30 ECEDLO Cn1cncc1[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1NCC#N ZINC001070714871 784586367 /nfs/dbraw/zinc/58/63/67/784586367.db2.gz KIIFWINGIHQFKB-HUUCEWRRSA-N 1 2 341.419 0.194 20 30 ECEDLO Cc1n[nH]c(C)c1CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070718107 784592070 /nfs/dbraw/zinc/59/20/70/784592070.db2.gz NKZZKGDBFIJSLA-HUUCEWRRSA-N 1 2 341.419 0.410 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC001070900228 784808273 /nfs/dbraw/zinc/80/82/73/784808273.db2.gz FLHQKKIXRKSSDI-OAGGEKHMSA-N 1 2 342.399 0.987 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC001070900228 784808285 /nfs/dbraw/zinc/80/82/85/784808285.db2.gz FLHQKKIXRKSSDI-OAGGEKHMSA-N 1 2 342.399 0.987 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)C3=COCCC3)C2)C(=O)C1 ZINC001071255301 784850517 /nfs/dbraw/zinc/85/05/17/784850517.db2.gz KKXHXWADOMCDDS-KRWDZBQOSA-N 1 2 345.443 0.839 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)C3=COCCC3)C2)C(=O)C1 ZINC001071255301 784850521 /nfs/dbraw/zinc/85/05/21/784850521.db2.gz KKXHXWADOMCDDS-KRWDZBQOSA-N 1 2 345.443 0.839 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3ncoc3C)C2)C(=O)C1 ZINC001071256993 784857652 /nfs/dbraw/zinc/85/76/52/784857652.db2.gz NVPYWEGHUASMBK-OAHLLOKOSA-N 1 2 344.415 0.755 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3ncoc3C)C2)C(=O)C1 ZINC001071256993 784857658 /nfs/dbraw/zinc/85/76/58/784857658.db2.gz NVPYWEGHUASMBK-OAHLLOKOSA-N 1 2 344.415 0.755 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3cscn3)C2)C(=O)C1 ZINC001071257160 784859128 /nfs/dbraw/zinc/85/91/28/784859128.db2.gz SWFAUNJSGIVVEY-AWEZNQCLSA-N 1 2 346.456 0.915 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3cscn3)C2)C(=O)C1 ZINC001071257160 784859137 /nfs/dbraw/zinc/85/91/37/784859137.db2.gz SWFAUNJSGIVVEY-AWEZNQCLSA-N 1 2 346.456 0.915 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@@H](OC)C3CC3)C2)C(=O)C1 ZINC001071264221 784883731 /nfs/dbraw/zinc/88/37/31/784883731.db2.gz QYFSMGLLFQXKMZ-AEFFLSMTSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@@H](OC)C3CC3)C2)C(=O)C1 ZINC001071264221 784883742 /nfs/dbraw/zinc/88/37/42/784883742.db2.gz QYFSMGLLFQXKMZ-AEFFLSMTSA-N 1 2 347.459 0.570 20 30 ECEDLO C=CCN1CCN([C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C(=O)C1 ZINC001071276018 784918371 /nfs/dbraw/zinc/91/83/71/784918371.db2.gz WVNWQACMXJBSIY-AWEZNQCLSA-N 1 2 331.420 0.273 20 30 ECEDLO C=C(C)CN1CCN([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C(=O)C1 ZINC001071279643 784926430 /nfs/dbraw/zinc/92/64/30/784926430.db2.gz WMWABCQBVGDNTG-MRXNPFEDSA-N 1 2 345.447 0.594 20 30 ECEDLO C[C@@H]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C[N@@H+]1Cc1cnnn1C ZINC001071414178 785061691 /nfs/dbraw/zinc/06/16/91/785061691.db2.gz QDNOYEVSUGYUMZ-YPMHNXCESA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@@H]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C[N@H+]1Cc1cnnn1C ZINC001071414178 785061699 /nfs/dbraw/zinc/06/16/99/785061699.db2.gz QDNOYEVSUGYUMZ-YPMHNXCESA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C[N@@H+]1Cc1cnnn1C ZINC001071438201 785087837 /nfs/dbraw/zinc/08/78/37/785087837.db2.gz NKWYOVSQFRTLEC-WCQYABFASA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C[N@H+]1Cc1cnnn1C ZINC001071438201 785087846 /nfs/dbraw/zinc/08/78/46/785087846.db2.gz NKWYOVSQFRTLEC-WCQYABFASA-N 1 2 327.392 0.798 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(N)=O)C2)cc1 ZINC001071869668 785246234 /nfs/dbraw/zinc/24/62/34/785246234.db2.gz SOONEKNUSNMGER-DZGCQCFKSA-N 1 2 329.400 0.767 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(N)=O)C2)cc1 ZINC001071869668 785246242 /nfs/dbraw/zinc/24/62/42/785246242.db2.gz SOONEKNUSNMGER-DZGCQCFKSA-N 1 2 329.400 0.767 20 30 ECEDLO C=CC[N@H+]1C[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC[C@H]1C ZINC001071901051 785296413 /nfs/dbraw/zinc/29/64/13/785296413.db2.gz MYTGEJKTOYZAIT-VXGBXAGGSA-N 1 2 330.392 0.226 20 30 ECEDLO C=CC[N@@H+]1C[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC[C@H]1C ZINC001071901051 785296419 /nfs/dbraw/zinc/29/64/19/785296419.db2.gz MYTGEJKTOYZAIT-VXGBXAGGSA-N 1 2 330.392 0.226 20 30 ECEDLO C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001071918965 785333850 /nfs/dbraw/zinc/33/38/50/785333850.db2.gz VDFIOXCYWCOSFH-NHYWBVRUSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001071918965 785333859 /nfs/dbraw/zinc/33/38/59/785333859.db2.gz VDFIOXCYWCOSFH-NHYWBVRUSA-N 1 2 340.387 0.819 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)CC[C@@H]1C ZINC001071625590 785410615 /nfs/dbraw/zinc/41/06/15/785410615.db2.gz PYSUTDMCSSILEL-RYUDHWBXSA-N 1 2 327.816 0.303 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)CC[C@@H]1C ZINC001071625590 785410620 /nfs/dbraw/zinc/41/06/20/785410620.db2.gz PYSUTDMCSSILEL-RYUDHWBXSA-N 1 2 327.816 0.303 20 30 ECEDLO C=CCCOCC(=O)N[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001071998132 785500834 /nfs/dbraw/zinc/50/08/34/785500834.db2.gz DAAVEFRYNQZHDR-KGLIPLIRSA-N 1 2 334.420 0.898 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](C)C1 ZINC001072100084 785668768 /nfs/dbraw/zinc/66/87/68/785668768.db2.gz BZXWICUTRSVVRD-GJZGRUSLSA-N 1 2 346.431 0.356 20 30 ECEDLO C#CCOCCC(=O)N1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001072101621 785671064 /nfs/dbraw/zinc/67/10/64/785671064.db2.gz QAEYBTJFPWPMFB-HUUCEWRRSA-N 1 2 332.404 0.276 20 30 ECEDLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1NC(=O)C#CC(C)(C)C ZINC001072429718 786170775 /nfs/dbraw/zinc/17/07/75/786170775.db2.gz KBZHWWSVBKMCCT-ZFWWWQNUSA-N 1 2 330.432 0.975 20 30 ECEDLO C=CCOCCCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001072430675 786173200 /nfs/dbraw/zinc/17/32/00/786173200.db2.gz XEAZRUBMRULFDH-GDBMZVCRSA-N 1 2 348.447 0.909 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001072430871 786173803 /nfs/dbraw/zinc/17/38/03/786173803.db2.gz YZLHNDDVTXDXNT-CHWSQXEVSA-N 1 2 334.420 0.853 20 30 ECEDLO C=CCCOCC(=O)N[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001072484669 786260014 /nfs/dbraw/zinc/26/00/14/786260014.db2.gz QYBFKBZYHNIFLX-WFASDCNBSA-N 1 2 334.420 0.816 20 30 ECEDLO C=CCCOCC(=O)N[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001072510267 786301958 /nfs/dbraw/zinc/30/19/58/786301958.db2.gz LDHNVTRSKGKTHP-GJZGRUSLSA-N 1 2 348.447 0.909 20 30 ECEDLO Cn1c[nH+]cc1CN1CCO[C@@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 ZINC001074239348 786484724 /nfs/dbraw/zinc/48/47/24/786484724.db2.gz YYEZCVCPUBEQKL-IAGOWNOFSA-N 1 2 328.416 0.635 20 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786550406 /nfs/dbraw/zinc/55/04/06/786550406.db2.gz CCENGLIYLVTRJU-HOTGVXAUSA-N 1 2 328.416 0.768 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn4c(n3)COCC4)C[C@@H]21 ZINC001074279078 786575135 /nfs/dbraw/zinc/57/51/35/786575135.db2.gz FULIDAFIJRYCPG-HOTGVXAUSA-N 1 2 344.415 0.352 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn4c(n3)COCC4)C[C@@H]21 ZINC001074279078 786575137 /nfs/dbraw/zinc/57/51/37/786575137.db2.gz FULIDAFIJRYCPG-HOTGVXAUSA-N 1 2 344.415 0.352 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C[C@@H]21 ZINC001074285644 786596234 /nfs/dbraw/zinc/59/62/34/786596234.db2.gz FEBFCXKXHROFJE-HOTGVXAUSA-N 1 2 346.431 0.615 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C[C@@H]21 ZINC001074285644 786596239 /nfs/dbraw/zinc/59/62/39/786596239.db2.gz FEBFCXKXHROFJE-HOTGVXAUSA-N 1 2 346.431 0.615 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2nnn(C)c2C)C1 ZINC001073562418 786611322 /nfs/dbraw/zinc/61/13/22/786611322.db2.gz TXRACXRZCJKYNY-LBPRGKRZSA-N 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ZINC001074308727 786644437 /nfs/dbraw/zinc/64/44/37/786644437.db2.gz JTWJURJIZNMQJU-GASCZTMLSA-N 1 2 346.431 0.852 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)nc[nH]c3=O)C[C@@H]21 ZINC001074317740 786662369 /nfs/dbraw/zinc/66/23/69/786662369.db2.gz VFVFCMWCNGCPFX-UONOGXRCSA-N 1 2 330.388 0.429 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)nc[nH]c3=O)C[C@@H]21 ZINC001074317740 786662371 /nfs/dbraw/zinc/66/23/71/786662371.db2.gz VFVFCMWCNGCPFX-UONOGXRCSA-N 1 2 330.388 0.429 20 30 ECEDLO C=CCCC(=O)N1CC(N2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC001073579140 786668771 /nfs/dbraw/zinc/66/87/71/786668771.db2.gz FZELHZRRPDMOOA-UHFFFAOYSA-N 1 2 345.447 0.664 20 30 ECEDLO C=CCCC(=O)N1CC(N2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC001073579140 786668776 /nfs/dbraw/zinc/66/87/76/786668776.db2.gz FZELHZRRPDMOOA-UHFFFAOYSA-N 1 2 345.447 0.664 20 30 ECEDLO C#CCCCC(=O)N1CC(N2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001073579845 786672352 /nfs/dbraw/zinc/67/23/52/786672352.db2.gz CVBOLEDETWCOBH-UHFFFAOYSA-N 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C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnc4cccnn43)C[C@@H]21 ZINC001074354182 786739301 /nfs/dbraw/zinc/73/93/01/786739301.db2.gz MJMXUKMGZFCFBG-JKSUJKDBSA-N 1 2 339.399 0.668 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCN3CCOCC3)C[C@H]21 ZINC001074361280 786754985 /nfs/dbraw/zinc/75/49/85/786754985.db2.gz ZMXFUNRDEZTAGH-SJORKVTESA-N 1 2 337.464 0.587 20 30 ECEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCN3CCOCC3)C[C@H]21 ZINC001074361280 786754987 /nfs/dbraw/zinc/75/49/87/786754987.db2.gz ZMXFUNRDEZTAGH-SJORKVTESA-N 1 2 337.464 0.587 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001073629366 786808998 /nfs/dbraw/zinc/80/89/98/786808998.db2.gz AGMBUFFZOJSXGW-STQMWFEESA-N 1 2 329.828 0.424 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001073629366 786809008 /nfs/dbraw/zinc/80/90/08/786809008.db2.gz AGMBUFFZOJSXGW-STQMWFEESA-N 1 2 329.828 0.424 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 ZINC001074403156 786867553 /nfs/dbraw/zinc/86/75/53/786867553.db2.gz RCKQQSOBLALRIF-KGLIPLIRSA-N 1 2 335.404 0.013 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 ZINC001074403156 786867563 /nfs/dbraw/zinc/86/75/63/786867563.db2.gz RCKQQSOBLALRIF-KGLIPLIRSA-N 1 2 335.404 0.013 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@H]21 ZINC001074404703 786874303 /nfs/dbraw/zinc/87/43/03/786874303.db2.gz GXBPCLCMAGWQQW-HUUCEWRRSA-N 1 2 332.404 0.605 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@H]21 ZINC001074404703 786874311 /nfs/dbraw/zinc/87/43/11/786874311.db2.gz GXBPCLCMAGWQQW-HUUCEWRRSA-N 1 2 332.404 0.605 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@H]21 ZINC001074404807 786874797 /nfs/dbraw/zinc/87/47/97/786874797.db2.gz IILVKRBKZZWOOZ-HUUCEWRRSA-N 1 2 330.388 0.052 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@H]21 ZINC001074404807 786874809 /nfs/dbraw/zinc/87/48/09/786874809.db2.gz IILVKRBKZZWOOZ-HUUCEWRRSA-N 1 2 330.388 0.052 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1NC(=O)CSCC#N ZINC001073744621 787107288 /nfs/dbraw/zinc/10/72/88/787107288.db2.gz ONLVYSLEEMWLIG-OLZOCXBDSA-N 1 2 349.460 0.952 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH2+]Cc2cc(=O)n3[nH]ccc3n2)[C@@H]1C ZINC001074567055 787277008 /nfs/dbraw/zinc/27/70/08/787277008.db2.gz SMYTXKKSDXGYQV-GVXVVHGQSA-N 1 2 328.376 0.261 20 30 ECEDLO CC(C)C#CC(=O)N1CCC(O)(CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001074578512 787306219 /nfs/dbraw/zinc/30/62/19/787306219.db2.gz FPYAHVDOIJYZFK-UHFFFAOYSA-N 1 2 346.431 0.471 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001073873766 787416572 /nfs/dbraw/zinc/41/65/72/787416572.db2.gz JGVXHNULFTYODL-KBPBESRZSA-N 1 2 343.855 0.957 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001073873766 787416578 /nfs/dbraw/zinc/41/65/78/787416578.db2.gz JGVXHNULFTYODL-KBPBESRZSA-N 1 2 343.855 0.957 20 30 ECEDLO CC(C)C#CC(=O)NCC1(O)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001074621587 787424399 /nfs/dbraw/zinc/42/43/99/787424399.db2.gz HNMVGNYVCBFZQZ-UHFFFAOYSA-N 1 2 346.431 0.471 20 30 ECEDLO CC(C)C#CC(=O)NCC1(O)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001074621587 787424406 /nfs/dbraw/zinc/42/44/06/787424406.db2.gz HNMVGNYVCBFZQZ-UHFFFAOYSA-N 1 2 346.431 0.471 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001074632202 787454862 /nfs/dbraw/zinc/45/48/62/787454862.db2.gz YHXLDRBMLAPJBL-UHFFFAOYSA-N 1 2 348.447 0.955 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC(O)(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001074662367 787535356 /nfs/dbraw/zinc/53/53/56/787535356.db2.gz RFQSNMGBOAGBKJ-UHFFFAOYSA-N 1 2 334.420 0.634 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC001074077432 787819024 /nfs/dbraw/zinc/81/90/24/787819024.db2.gz SRQPDVVSFOFBBN-HOCLYGCPSA-N 1 2 348.447 0.909 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)CSCC#N)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001074844372 788421680 /nfs/dbraw/zinc/42/16/80/788421680.db2.gz ZHVMIEXKVUMAHY-NWDGAFQWSA-N 1 2 335.433 0.705 20 30 ECEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)c3cn(C)nn3)C2)C1 ZINC001072690293 788599064 /nfs/dbraw/zinc/59/90/64/788599064.db2.gz CPNYKWFJZYKDIO-UHFFFAOYSA-N 1 2 340.225 0.872 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)c3cn(C)nn3)C2)C1 ZINC001072690293 788599070 /nfs/dbraw/zinc/59/90/70/788599070.db2.gz CPNYKWFJZYKDIO-UHFFFAOYSA-N 1 2 340.225 0.872 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC001074965203 788632478 /nfs/dbraw/zinc/63/24/78/788632478.db2.gz CDPRTJQOMMPDAV-GJZGRUSLSA-N 1 2 346.431 0.878 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CCC(C)(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001073027704 789301062 /nfs/dbraw/zinc/30/10/62/789301062.db2.gz PUMNEBKMEZOLDC-AWEZNQCLSA-N 1 2 346.431 0.796 20 30 ECEDLO N#CCN[C@@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001075415030 789343610 /nfs/dbraw/zinc/34/36/10/789343610.db2.gz CYXKCPYBHMXQHK-RHSMWYFYSA-N 1 2 331.420 0.852 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC1(C)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001073128355 789490480 /nfs/dbraw/zinc/49/04/80/789490480.db2.gz BBEUOWSKHGXQDW-KRWDZBQOSA-N 1 2 334.420 0.708 20 30 ECEDLO N#Cc1ccc(N2CC[C@@]3(NC(=O)Cn4cc[nH+]c4)CCC[C@@H]23)nn1 ZINC001069269392 789720857 /nfs/dbraw/zinc/72/08/57/789720857.db2.gz VMVGMZQJVULIDH-PBHICJAKSA-N 1 2 337.387 0.863 20 30 ECEDLO N#Cc1nccnc1N1CC[C@@]2(NC(=O)Cc3[nH]cc[nH+]3)CCC[C@H]12 ZINC001069271545 789723004 /nfs/dbraw/zinc/72/30/04/789723004.db2.gz UDKWMEUWSKMPDY-GUYCJALGSA-N 1 2 337.387 0.932 20 30 ECEDLO N#Cc1cncc(NC[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001069475504 789850631 /nfs/dbraw/zinc/85/06/31/789850631.db2.gz ICUDNVCNJAAMKO-OLZOCXBDSA-N 1 2 325.376 0.942 20 30 ECEDLO C=CCOCC(=O)N1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001069775062 790025004 /nfs/dbraw/zinc/02/50/04/790025004.db2.gz VMNYEFYPZRVNBU-GOSISDBHSA-N 1 2 346.431 0.996 20 30 ECEDLO C=CCN1CCn2ncc(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)c2C1 ZINC001069864287 790119699 /nfs/dbraw/zinc/11/96/99/790119699.db2.gz HYLLLFSBZOJSTB-AWEZNQCLSA-N 1 2 340.431 0.960 20 30 ECEDLO C#CCN1CCn2ncc(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)c2C1 ZINC001069865323 790121848 /nfs/dbraw/zinc/12/18/48/790121848.db2.gz CLCPDOJDTWASLV-AWEZNQCLSA-N 1 2 338.415 0.407 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc(CC(C)C)[nH]2)[C@@H](n2ccnn2)C1 ZINC001069927174 790198312 /nfs/dbraw/zinc/19/83/12/790198312.db2.gz NBJQURUMDRBIMH-CABCVRRESA-N 1 2 341.419 0.488 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc(CC(C)C)[nH]2)[C@@H](n2ccnn2)C1 ZINC001069927174 790198318 /nfs/dbraw/zinc/19/83/18/790198318.db2.gz NBJQURUMDRBIMH-CABCVRRESA-N 1 2 341.419 0.488 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCO[C@H]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069929936 790202649 /nfs/dbraw/zinc/20/26/49/790202649.db2.gz UOVPFADLZVMEQC-YVSFHVDLSA-N 1 2 345.447 0.704 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCO[C@H]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069929936 790202653 /nfs/dbraw/zinc/20/26/53/790202653.db2.gz UOVPFADLZVMEQC-YVSFHVDLSA-N 1 2 345.447 0.704 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)[C@@H](n2ccnn2)C1 ZINC001069930638 790203454 /nfs/dbraw/zinc/20/34/54/790203454.db2.gz VZTNZVHQLBMCAY-HZMVEIRTSA-N 1 2 336.399 0.452 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)[C@@H](n2ccnn2)C1 ZINC001069930638 790203455 /nfs/dbraw/zinc/20/34/55/790203455.db2.gz VZTNZVHQLBMCAY-HZMVEIRTSA-N 1 2 336.399 0.452 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2nn(C)cc2Cl)[C@@H](n2ccnn2)C1 ZINC001069936858 790211092 /nfs/dbraw/zinc/21/10/92/790211092.db2.gz WZEPZLAUUYVQQZ-OLZOCXBDSA-N 1 2 347.810 0.344 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2nn(C)cc2Cl)[C@@H](n2ccnn2)C1 ZINC001069936858 790211096 /nfs/dbraw/zinc/21/10/96/790211096.db2.gz WZEPZLAUUYVQQZ-OLZOCXBDSA-N 1 2 347.810 0.344 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(C3CC3)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001069940809 790216260 /nfs/dbraw/zinc/21/62/60/790216260.db2.gz DMOTXTBIZQPHDU-ZBFHGGJFSA-N 1 2 341.419 0.730 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(C3CC3)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001069940809 790216263 /nfs/dbraw/zinc/21/62/63/790216263.db2.gz DMOTXTBIZQPHDU-ZBFHGGJFSA-N 1 2 341.419 0.730 20 30 ECEDLO C=CCC[N@@H+]1C[C@@H](NC(=O)CN2CCCCC2=O)[C@@H](n2ccnn2)C1 ZINC001069967086 790254895 /nfs/dbraw/zinc/25/48/95/790254895.db2.gz MMRAFBFVBGIYLO-CABCVRRESA-N 1 2 346.435 0.208 20 30 ECEDLO C=CCC[N@H+]1C[C@@H](NC(=O)CN2CCCCC2=O)[C@@H](n2ccnn2)C1 ZINC001069967086 790254898 /nfs/dbraw/zinc/25/48/98/790254898.db2.gz MMRAFBFVBGIYLO-CABCVRRESA-N 1 2 346.435 0.208 20 30 ECEDLO C[C@@H]1[C@@H](Nc2ccnc(C#N)n2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001068929261 791441716 /nfs/dbraw/zinc/44/17/16/791441716.db2.gz ZRFKHEODDPETBI-OLZOCXBDSA-N 1 2 325.376 0.458 20 30 ECEDLO C=CC(C)(C)C(=O)N[C@@H]1COC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001068947728 791484332 /nfs/dbraw/zinc/48/43/32/791484332.db2.gz JYVXWXAHTNRHNK-AWEZNQCLSA-N 1 2 346.431 0.972 20 30 ECEDLO CC(C)C#CC(=O)N1CC2(C1)C[C@H](NC(=O)Cc1[nH]cc[nH+]1)CO2 ZINC001068985058 791551457 /nfs/dbraw/zinc/55/14/57/791551457.db2.gz YZMUHXKJOXNPHF-ZDUSSCGKSA-N 1 2 330.388 0.098 20 30 ECEDLO C=CCCCC(=O)N[C@@H]1COC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001068995200 791564743 /nfs/dbraw/zinc/56/47/43/791564743.db2.gz XMYFKLRKYBIAAM-AWEZNQCLSA-N 1 2 332.404 0.795 20 30 ECEDLO C=CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)Cc1c[nH]c[nH+]1)CO2 ZINC001069057772 791663277 /nfs/dbraw/zinc/66/32/77/791663277.db2.gz NBKDEPNOYKEUDL-AWEZNQCLSA-N 1 2 332.404 0.795 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001066698662 792019935 /nfs/dbraw/zinc/01/99/35/792019935.db2.gz NGYVSFJXMAQBFA-KBPBESRZSA-N 1 2 339.403 0.231 20 30 ECEDLO CCCC(=O)N1CC[C@H]([NH+]2CCN(c3nccnc3C#N)CC2)C1 ZINC001066698782 792020581 /nfs/dbraw/zinc/02/05/81/792020581.db2.gz OYYNQXZNFUEGKB-AWEZNQCLSA-N 1 2 328.420 0.871 20 30 ECEDLO CC(C)C(=O)N1CC[C@H]([NH+]2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001066699219 792021113 /nfs/dbraw/zinc/02/11/13/792021113.db2.gz UOCXXIQTCXXBRV-HNNXBMFYSA-N 1 2 328.420 0.727 20 30 ECEDLO COCC(=O)N1CC[C@H]([NH+]2CCN(c3ccncc3C#N)CC2)C1 ZINC001066699167 792021413 /nfs/dbraw/zinc/02/14/13/792021413.db2.gz STRFKPXORNGJPC-HNNXBMFYSA-N 1 2 329.404 0.323 20 30 ECEDLO N#Cc1nccnc1N[C@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001066908088 792345923 /nfs/dbraw/zinc/34/59/23/792345923.db2.gz BFMOIDZGDZAIOO-MRXNPFEDSA-N 1 2 341.375 0.010 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@@H](Nc2cncc(C#N)n2)C1 ZINC001067127766 792728327 /nfs/dbraw/zinc/72/83/27/792728327.db2.gz SSLZXOGVDTVLGQ-YGRLFVJLSA-N 1 2 325.376 0.881 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1Nc1nccnc1C#N ZINC001067128328 792729939 /nfs/dbraw/zinc/72/99/39/792729939.db2.gz BOSBKLSEOYMCGM-WFASDCNBSA-N 1 2 339.403 0.973 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1Nc1ccnc(C#N)n1 ZINC001067129142 792730351 /nfs/dbraw/zinc/73/03/51/792730351.db2.gz OMFCRERQEQAVTK-OCCSQVGLSA-N 1 2 339.403 0.395 20 30 ECEDLO CC1(C)CN(c2nccnc2C#N)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001068139992 792735741 /nfs/dbraw/zinc/73/57/41/792735741.db2.gz MLEUNOODGZDKBH-CYBMUJFWSA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1Nc1cnc(C#N)cn1 ZINC001067217735 792831643 /nfs/dbraw/zinc/83/16/43/792831643.db2.gz LQZYJPWULNZOSK-FZMZJTMJSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1Nc1cnc(C#N)cn1 ZINC001067217735 792831653 /nfs/dbraw/zinc/83/16/53/792831653.db2.gz LQZYJPWULNZOSK-FZMZJTMJSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@H](Nc1ncccc1C#N)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001068235749 792890531 /nfs/dbraw/zinc/89/05/31/792890531.db2.gz ACNWKZPDZMYCHN-GXTWGEPZSA-N 1 2 340.387 0.947 20 30 ECEDLO C[C@H](Nc1ccc(C#N)nc1)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001068236849 792898084 /nfs/dbraw/zinc/89/80/84/792898084.db2.gz NHEYGUBVHAKAJY-SWLSCSKDSA-N 1 2 340.387 0.947 20 30 ECEDLO C[C@H](Nc1cncc(C#N)n1)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001068246104 792927726 /nfs/dbraw/zinc/92/77/26/792927726.db2.gz UCKNVQMFGYCASW-FZMZJTMJSA-N 1 2 341.375 0.342 20 30 ECEDLO C[C@@H]1C[C@H](CNc2cnc(C#N)cn2)CN1C(=O)Cn1cc[nH+]c1 ZINC001068335863 793070306 /nfs/dbraw/zinc/07/03/06/793070306.db2.gz QYHZUJHISDDTPP-CHWSQXEVSA-N 1 2 325.376 0.894 20 30 ECEDLO C[C@@H]1C[C@H](CNc2nccnc2C#N)CN1C(=O)Cc1c[nH+]cn1C ZINC001068336593 793071321 /nfs/dbraw/zinc/07/13/21/793071321.db2.gz BOQWSARJDUOHOY-CHWSQXEVSA-N 1 2 339.403 0.973 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](CNc2ccnc(C#N)n2)C[C@H]1C ZINC001068342837 793086141 /nfs/dbraw/zinc/08/61/41/793086141.db2.gz ZSGYLCZMHDKCBJ-YPMHNXCESA-N 1 2 339.403 0.693 20 30 ECEDLO C=CCCC(=O)N1CCOC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001068346877 793094763 /nfs/dbraw/zinc/09/47/63/793094763.db2.gz ZYNDWXUPUXYIQR-UHFFFAOYSA-N 1 2 332.404 0.369 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C[C@H]1C ZINC001067408274 793114817 /nfs/dbraw/zinc/11/48/17/793114817.db2.gz RIDCTOVWPDPVDA-RISCZKNCSA-N 1 2 339.403 0.954 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001067427301 793140786 /nfs/dbraw/zinc/14/07/86/793140786.db2.gz QIOFGIBKDUSSED-AWEZNQCLSA-N 1 2 334.420 0.606 20 30 ECEDLO CC(C)C#CC(=O)N1CCOC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001068394782 793201568 /nfs/dbraw/zinc/20/15/68/793201568.db2.gz GNTALGBOJMPEBB-UHFFFAOYSA-N 1 2 330.388 0.051 20 30 ECEDLO C=CCCCC(=O)N1CCOC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001068451097 793333663 /nfs/dbraw/zinc/33/36/63/793333663.db2.gz GPNCFRBMRMFXQA-UHFFFAOYSA-N 1 2 332.404 0.679 20 30 ECEDLO CCCN(C(=O)[C@@H]1C[C@H]1C1CC1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267488425 837551698 /nfs/dbraw/zinc/55/16/98/837551698.db2.gz LXYXRAMUMPTZQM-HRCADAONSA-N 1 2 332.448 0.985 20 30 ECEDLO CCCN(C(=O)[C@@H]1C[C@H]1C1CC1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267488425 837551707 /nfs/dbraw/zinc/55/17/07/837551707.db2.gz LXYXRAMUMPTZQM-HRCADAONSA-N 1 2 332.448 0.985 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[C@H]1CC[N@@H+](Cc2noc(CC)n2)C1 ZINC001267530951 837703406 /nfs/dbraw/zinc/70/34/06/837703406.db2.gz ICOMRRYXBYVSOW-KBPBESRZSA-N 1 2 334.420 0.999 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[C@H]1CC[N@H+](Cc2noc(CC)n2)C1 ZINC001267530951 837703411 /nfs/dbraw/zinc/70/34/11/837703411.db2.gz ICOMRRYXBYVSOW-KBPBESRZSA-N 1 2 334.420 0.999 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cc(C(C)C)nn2C)C1 ZINC001266246490 835553151 /nfs/dbraw/zinc/55/31/51/835553151.db2.gz QPQCZMKLJCPNNE-CQSZACIVSA-N 1 2 345.447 0.487 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C(C)C)nn2C)C1 ZINC001266246490 835553159 /nfs/dbraw/zinc/55/31/59/835553159.db2.gz QPQCZMKLJCPNNE-CQSZACIVSA-N 1 2 345.447 0.487 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)COc2ccccc2)C1 ZINC001266248195 835554689 /nfs/dbraw/zinc/55/46/89/835554689.db2.gz HNGTZZTUFISKKC-OAHLLOKOSA-N 1 2 329.400 0.395 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)COc2ccccc2)C1 ZINC001266248195 835554696 /nfs/dbraw/zinc/55/46/96/835554696.db2.gz HNGTZZTUFISKKC-OAHLLOKOSA-N 1 2 329.400 0.395 20 30 ECEDLO CCn1ncc(C[N@H+]2C[C@H]3CN(C(=O)CSCC#N)C[C@H]3C2)n1 ZINC001279339834 835584062 /nfs/dbraw/zinc/58/40/62/835584062.db2.gz NWUOMFBHLROXFC-BETUJISGSA-N 1 2 334.449 0.445 20 30 ECEDLO CCn1ncc(C[N@@H+]2C[C@H]3CN(C(=O)CSCC#N)C[C@H]3C2)n1 ZINC001279339834 835584069 /nfs/dbraw/zinc/58/40/69/835584069.db2.gz NWUOMFBHLROXFC-BETUJISGSA-N 1 2 334.449 0.445 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(CCNC(=O)[C@H]2CC=CCC2)CC1 ZINC001266279561 835607212 /nfs/dbraw/zinc/60/72/12/835607212.db2.gz VBVYDNDXVJWZEB-IRXDYDNUSA-N 1 2 348.491 0.767 20 30 ECEDLO C=C(C)CCC(=O)NCC[NH+]1CCN(CC(=O)Nc2ccon2)CC1 ZINC001266285901 835621790 /nfs/dbraw/zinc/62/17/90/835621790.db2.gz QXODVIZIGHWISI-UHFFFAOYSA-N 1 2 349.435 0.703 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)c2cn(C)c(C)cc2=O)C1=O ZINC001266286653 835624205 /nfs/dbraw/zinc/62/42/05/835624205.db2.gz URJSFDFLLPNQEX-HNNXBMFYSA-N 1 2 346.431 0.142 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)c2cn(C)c(C)cc2=O)C1=O ZINC001266286653 835624207 /nfs/dbraw/zinc/62/42/07/835624207.db2.gz URJSFDFLLPNQEX-HNNXBMFYSA-N 1 2 346.431 0.142 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CCNC(=O)CC(C)=C(C)C)CC1 ZINC001266290207 835634408 /nfs/dbraw/zinc/63/44/08/835634408.db2.gz QSDCDJSGLMQHMH-UHFFFAOYSA-N 1 2 336.480 0.769 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cc3n(n2)CCCC3)C1 ZINC001266325087 835702422 /nfs/dbraw/zinc/70/24/22/835702422.db2.gz JQWOUITVKLXTMA-UONOGXRCSA-N 1 2 345.447 0.714 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cc3n(n2)CCCC3)C1 ZINC001266325087 835702424 /nfs/dbraw/zinc/70/24/24/835702424.db2.gz JQWOUITVKLXTMA-UONOGXRCSA-N 1 2 345.447 0.714 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@@H](C=C)CC)C1 ZINC001266336149 835719814 /nfs/dbraw/zinc/71/98/14/835719814.db2.gz KPIOWKJTINBPGN-UONOGXRCSA-N 1 2 336.436 0.791 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C=C)CC)C1 ZINC001266336149 835719822 /nfs/dbraw/zinc/71/98/22/835719822.db2.gz KPIOWKJTINBPGN-UONOGXRCSA-N 1 2 336.436 0.791 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn3ccccc3n2)C1 ZINC001266355314 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C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccco2)C1 ZINC001267779647 838548907 /nfs/dbraw/zinc/54/89/07/838548907.db2.gz FSDFBQOCVMVYFG-ZDUSSCGKSA-N 1 2 348.403 0.828 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccco2)C1 ZINC001267779647 838548912 /nfs/dbraw/zinc/54/89/12/838548912.db2.gz FSDFBQOCVMVYFG-ZDUSSCGKSA-N 1 2 348.403 0.828 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)C(F)F)C1 ZINC001267780131 838551978 /nfs/dbraw/zinc/55/19/78/838551978.db2.gz JDAHXXBCDCRHJM-WDEREUQCSA-N 1 2 346.378 0.575 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)C(F)F)C1 ZINC001267780131 838551981 /nfs/dbraw/zinc/55/19/81/838551981.db2.gz JDAHXXBCDCRHJM-WDEREUQCSA-N 1 2 346.378 0.575 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)c2ncccc2C)C1 ZINC001267783795 838557309 /nfs/dbraw/zinc/55/73/09/838557309.db2.gz DYASRJXOXUJAGU-HNNXBMFYSA-N 1 2 328.416 0.676 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ncccc2C)C1 ZINC001267783795 838557310 /nfs/dbraw/zinc/55/73/10/838557310.db2.gz DYASRJXOXUJAGU-HNNXBMFYSA-N 1 2 328.416 0.676 20 30 ECEDLO CCN(C(=O)c1ncc(C)cc1C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267787791 838565559 /nfs/dbraw/zinc/56/55/59/838565559.db2.gz KBMSDGLSMMNPMA-OAHLLOKOSA-N 1 2 343.431 0.875 20 30 ECEDLO CCN(C(=O)c1ncc(C)cc1C)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267787791 838565564 /nfs/dbraw/zinc/56/55/64/838565564.db2.gz KBMSDGLSMMNPMA-OAHLLOKOSA-N 1 2 343.431 0.875 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ncc3ccccn32)C1 ZINC001267949162 838840955 /nfs/dbraw/zinc/84/09/55/838840955.db2.gz AONWDRKEXXAGKQ-CQSZACIVSA-N 1 2 341.415 0.831 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ncc3ccccn32)C1 ZINC001267949162 838840979 /nfs/dbraw/zinc/84/09/79/838840979.db2.gz AONWDRKEXXAGKQ-CQSZACIVSA-N 1 2 341.415 0.831 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cccnc2OC)C1 ZINC001267962796 838875279 /nfs/dbraw/zinc/87/52/79/838875279.db2.gz UZYXOUIWFTVNEF-UONOGXRCSA-N 1 2 344.415 0.422 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cccnc2OC)C1 ZINC001267962796 838875288 /nfs/dbraw/zinc/87/52/88/838875288.db2.gz UZYXOUIWFTVNEF-UONOGXRCSA-N 1 2 344.415 0.422 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cc2ncccc2OC)C1 ZINC001267962606 838875605 /nfs/dbraw/zinc/87/56/05/838875605.db2.gz QLLAQDSKWPJYBP-CQSZACIVSA-N 1 2 346.431 0.516 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ncccc2OC)C1 ZINC001267962606 838875609 /nfs/dbraw/zinc/87/56/09/838875609.db2.gz QLLAQDSKWPJYBP-CQSZACIVSA-N 1 2 346.431 0.516 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cc(C3CC3)no2)C1 ZINC001267968879 838887805 /nfs/dbraw/zinc/88/78/05/838887805.db2.gz DOQQISPAVORGHG-TZMCWYRMSA-N 1 2 344.415 0.884 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cc(C3CC3)no2)C1 ZINC001267968879 838887817 /nfs/dbraw/zinc/88/78/17/838887817.db2.gz DOQQISPAVORGHG-TZMCWYRMSA-N 1 2 344.415 0.884 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)CCOC2CCOCC2)C1 ZINC001268030814 839053691 /nfs/dbraw/zinc/05/36/91/839053691.db2.gz UZEGSNBQXMCIBL-MRXNPFEDSA-N 1 2 326.437 0.965 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)CCOC2CCOCC2)C1 ZINC001268030814 839053704 /nfs/dbraw/zinc/05/37/04/839053704.db2.gz UZEGSNBQXMCIBL-MRXNPFEDSA-N 1 2 326.437 0.965 20 30 ECEDLO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554875 219136483 /nfs/dbraw/zinc/13/64/83/219136483.db2.gz LPNJTUDOTRJIMW-ZDUSSCGKSA-N 1 2 329.404 0.914 20 30 ECEDLO N#Cc1cccc(C2(C(=O)N[C@@H](CO)C[NH+]3CCOCC3)CC2)c1 ZINC000425290626 210032873 /nfs/dbraw/zinc/03/28/73/210032873.db2.gz GSZAYDNOMCQQNK-MRXNPFEDSA-N 1 2 329.400 0.399 20 30 ECEDLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 ZINC000425199760 210016960 /nfs/dbraw/zinc/01/69/60/210016960.db2.gz GDWCYKYWFCRSHI-UHFFFAOYSA-N 1 2 338.433 0.685 20 30 ECEDLO N#Cc1ccc(CS(=O)(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000320489658 201074515 /nfs/dbraw/zinc/07/45/15/201074515.db2.gz RKPAQDCKFQNUPH-MRXNPFEDSA-N 1 2 335.429 0.795 20 30 ECEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000324528935 201078540 /nfs/dbraw/zinc/07/85/40/201078540.db2.gz XSLMAFAXRYHLFW-CQSZACIVSA-N 1 2 336.417 0.462 20 30 ECEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000324528935 201078544 /nfs/dbraw/zinc/07/85/44/201078544.db2.gz XSLMAFAXRYHLFW-CQSZACIVSA-N 1 2 336.417 0.462 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C(C)C)no2)CC1 ZINC000265024937 201214433 /nfs/dbraw/zinc/21/44/33/201214433.db2.gz JMSXYSLTHZOTFD-UHFFFAOYSA-N 1 2 332.404 0.695 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C(C)C)no2)CC1 ZINC000265024937 201214434 /nfs/dbraw/zinc/21/44/34/201214434.db2.gz JMSXYSLTHZOTFD-UHFFFAOYSA-N 1 2 332.404 0.695 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2nc(N)ns2)CC1 ZINC000268325068 201225427 /nfs/dbraw/zinc/22/54/27/201225427.db2.gz VKJABHBZOCKCRS-GFCCVEGCSA-N 1 2 336.465 0.831 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccnn2C(C)C)CC1 ZINC000268877517 201228769 /nfs/dbraw/zinc/22/87/69/201228769.db2.gz FBAKHZIUOLWVGC-UHFFFAOYSA-N 1 2 331.420 0.361 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccnn2C(C)C)CC1 ZINC000268877517 201228771 /nfs/dbraw/zinc/22/87/71/201228771.db2.gz FBAKHZIUOLWVGC-UHFFFAOYSA-N 1 2 331.420 0.361 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2coc(CCC)n2)CC1 ZINC000273461113 201254516 /nfs/dbraw/zinc/25/45/16/201254516.db2.gz FFGZYFIYNKYQRN-UHFFFAOYSA-N 1 2 332.404 0.524 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2coc(CCC)n2)CC1 ZINC000273461113 201254519 /nfs/dbraw/zinc/25/45/19/201254519.db2.gz FFGZYFIYNKYQRN-UHFFFAOYSA-N 1 2 332.404 0.524 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2oc(C3CC3)nc2C)CC1 ZINC000273649393 201260287 /nfs/dbraw/zinc/26/02/87/201260287.db2.gz VYTOSRDDALPYAO-UHFFFAOYSA-N 1 2 344.415 0.758 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2oc(C3CC3)nc2C)CC1 ZINC000273649393 201260290 /nfs/dbraw/zinc/26/02/90/201260290.db2.gz VYTOSRDDALPYAO-UHFFFAOYSA-N 1 2 344.415 0.758 20 30 ECEDLO C#CCOc1ccccc1NC(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000275216724 201278112 /nfs/dbraw/zinc/27/81/12/201278112.db2.gz CRKYJUWCNKHQFP-AWEZNQCLSA-N 1 2 345.399 0.162 20 30 ECEDLO C=CCOc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000275740687 201286642 /nfs/dbraw/zinc/28/66/42/201286642.db2.gz WPCFHYVAKHBPFP-CQSZACIVSA-N 1 2 347.415 0.715 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccncc2C)CC1 ZINC000274958698 201273871 /nfs/dbraw/zinc/27/38/71/201273871.db2.gz IVUSYUUCZQPAEM-UHFFFAOYSA-N 1 2 328.416 0.216 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccncc2C)CC1 ZINC000274958698 201273874 /nfs/dbraw/zinc/27/38/74/201273874.db2.gz IVUSYUUCZQPAEM-UHFFFAOYSA-N 1 2 328.416 0.216 20 30 ECEDLO C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000105740397 204155144 /nfs/dbraw/zinc/15/51/44/204155144.db2.gz AQFGVNWGCVWUOV-CHWSQXEVSA-N 1 2 330.388 0.722 20 30 ECEDLO CCOCCN1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000105830182 204166262 /nfs/dbraw/zinc/16/62/62/204166262.db2.gz DVQZKPBYCYAHTN-KRWDZBQOSA-N 1 2 333.432 0.952 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)[C@H](C)C1 ZINC000193984469 296186760 /nfs/dbraw/zinc/18/67/60/296186760.db2.gz YPIQGMQMCCUMGC-VXGBXAGGSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)[C@H](C)C1 ZINC000193984469 296186762 /nfs/dbraw/zinc/18/67/62/296186762.db2.gz YPIQGMQMCCUMGC-VXGBXAGGSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000267634825 251211004 /nfs/dbraw/zinc/21/10/04/251211004.db2.gz GHHZDZKCJSLSPV-GOEBONIOSA-N 1 2 347.415 0.477 20 30 ECEDLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC)CC1 ZINC000267639767 251215855 /nfs/dbraw/zinc/21/58/55/251215855.db2.gz ZVQSYEOZJALDMR-UHFFFAOYSA-N 1 2 346.387 0.296 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)ccn2)C1 ZINC001077939297 781971460 /nfs/dbraw/zinc/97/14/60/781971460.db2.gz GQYMFFWGGLBOGV-CHWSQXEVSA-N 1 2 327.306 0.899 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)ccn2)C1 ZINC001077939297 781971467 /nfs/dbraw/zinc/97/14/67/781971467.db2.gz GQYMFFWGGLBOGV-CHWSQXEVSA-N 1 2 327.306 0.899 20 30 ECEDLO CC(=O)N1CC[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000328749896 254591820 /nfs/dbraw/zinc/59/18/20/254591820.db2.gz QZDKCVWPEUGVOM-INIZCTEOSA-N 1 2 331.420 0.734 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(C(=O)OCC)c(C)[nH]2)CC1 ZINC000449010560 254803382 /nfs/dbraw/zinc/80/33/82/254803382.db2.gz SSLPHKUEUKQZGH-UHFFFAOYSA-N 1 2 348.447 0.920 20 30 ECEDLO COCCN(CC(=O)N[C@](C)(C#N)C[NH+](C)C)C(=O)OC(C)(C)C ZINC000496895133 255140102 /nfs/dbraw/zinc/14/01/02/255140102.db2.gz XWXNPEKZFDXNKM-MRXNPFEDSA-N 1 2 342.440 0.830 20 30 ECEDLO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC000419364342 209069638 /nfs/dbraw/zinc/06/96/38/209069638.db2.gz WGZULOVNGBSPAY-AWEZNQCLSA-N 1 2 331.372 0.820 20 30 ECEDLO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1OC ZINC000419364342 209069642 /nfs/dbraw/zinc/06/96/42/209069642.db2.gz WGZULOVNGBSPAY-AWEZNQCLSA-N 1 2 331.372 0.820 20 30 ECEDLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cccc(C#N)c1 ZINC000262151683 165299960 /nfs/dbraw/zinc/29/99/60/165299960.db2.gz ZYZKNOLBKKBDQW-AWEZNQCLSA-N 1 2 331.401 0.627 20 30 ECEDLO N#Cc1ccccc1S(=O)(=O)N1CCN(CCn2cc[nH+]c2)CC1 ZINC000176973846 263153316 /nfs/dbraw/zinc/15/33/16/263153316.db2.gz RIUAXVNCSCJUEK-UHFFFAOYSA-N 1 2 345.428 0.761 20 30 ECEDLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000269665851 263195710 /nfs/dbraw/zinc/19/57/10/263195710.db2.gz NFNVDOAHQQDRQJ-ZDUSSCGKSA-N 1 2 342.852 0.736 20 30 ECEDLO COC(=O)N[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000270475575 263245232 /nfs/dbraw/zinc/24/52/32/263245232.db2.gz HKAYOEGLKXMKJK-ZDUSSCGKSA-N 1 2 330.388 0.947 20 30 ECEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3nc(=O)[nH][nH]3)CC2)c1 ZINC000271659206 263321371 /nfs/dbraw/zinc/32/13/71/263321371.db2.gz XKHJWXQXHYJFBV-UHFFFAOYSA-N 1 2 326.360 0.820 20 30 ECEDLO C[C@H](NC(=O)C(=O)N(C)CC[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000283526502 264126065 /nfs/dbraw/zinc/12/60/65/264126065.db2.gz CVXWJWRTUDNEJL-AWEZNQCLSA-N 1 2 344.415 0.526 20 30 ECEDLO N#Cc1cccnc1N1CC[NH+](C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000284143307 270005586 /nfs/dbraw/zinc/00/55/86/270005586.db2.gz OXYXSWPDOASTFJ-AWEZNQCLSA-N 1 2 334.445 0.900 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)c2ccc(C#N)nc2)C1=O ZINC000341122536 270006180 /nfs/dbraw/zinc/00/61/80/270006180.db2.gz OYIMAMNMHXVJSO-CQSZACIVSA-N 1 2 338.371 0.608 20 30 ECEDLO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2cncc(C#N)c2)C[C@H](C)O1 ZINC000352332821 267051579 /nfs/dbraw/zinc/05/15/79/267051579.db2.gz IOGVQRVANYDNDF-BETUJISGSA-N 1 2 338.433 0.731 20 30 ECEDLO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2cncc(C#N)c2)C[C@H](C)O1 ZINC000352332821 267051583 /nfs/dbraw/zinc/05/15/83/267051583.db2.gz IOGVQRVANYDNDF-BETUJISGSA-N 1 2 338.433 0.731 20 30 ECEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC000301822318 267073193 /nfs/dbraw/zinc/07/31/93/267073193.db2.gz BVLHOONJNBXGAL-HUUCEWRRSA-N 1 2 342.447 0.975 20 30 ECEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000294859459 267108266 /nfs/dbraw/zinc/10/82/66/267108266.db2.gz BWIIGBHZBFYMFM-TZMCWYRMSA-N 1 2 343.387 0.213 20 30 ECEDLO Cc1nn(C)c(N2CC[NH+]([C@H]3CCN(C(C)C)C3=O)CC2)c1C#N ZINC000530413745 268091547 /nfs/dbraw/zinc/09/15/47/268091547.db2.gz XGTFZOUMBNVDLV-HNNXBMFYSA-N 1 2 330.436 0.732 20 30 ECEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@H]4OCC(=O)N[C@@H]4C3)C2=O)cc1 ZINC000366786724 268127177 /nfs/dbraw/zinc/12/71/77/268127177.db2.gz JXFNWEQDWYQBMA-OWCLPIDISA-N 1 2 340.383 0.253 20 30 ECEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@H]4OCC(=O)N[C@@H]4C3)C2=O)cc1 ZINC000366786724 268127179 /nfs/dbraw/zinc/12/71/79/268127179.db2.gz JXFNWEQDWYQBMA-OWCLPIDISA-N 1 2 340.383 0.253 20 30 ECEDLO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000492393368 268167575 /nfs/dbraw/zinc/16/75/75/268167575.db2.gz CYXFSAFJSOWWBZ-SNVBAGLBSA-N 1 2 347.356 0.956 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](n3cncn3)C2)nc1 ZINC000367377654 268188861 /nfs/dbraw/zinc/18/88/61/268188861.db2.gz LKQWMRJVZFVHQJ-ZDUSSCGKSA-N 1 2 332.389 0.265 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](n3cncn3)C2)nc1 ZINC000367377654 268188862 /nfs/dbraw/zinc/18/88/62/268188862.db2.gz LKQWMRJVZFVHQJ-ZDUSSCGKSA-N 1 2 332.389 0.265 20 30 ECEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H]2c2nc(C(N)=O)no2)cc1 ZINC000365097135 268213247 /nfs/dbraw/zinc/21/32/47/268213247.db2.gz DYXWGLBPHJVZAA-STQMWFEESA-N 1 2 327.344 0.911 20 30 ECEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H]2c2nc(C(N)=O)no2)cc1 ZINC000365097135 268213251 /nfs/dbraw/zinc/21/32/51/268213251.db2.gz DYXWGLBPHJVZAA-STQMWFEESA-N 1 2 327.344 0.911 20 30 ECEDLO N#Cc1cccc(N2CC[NH+](C[C@H]3CCCS(=O)(=O)C3)CC2)n1 ZINC000341904089 268261569 /nfs/dbraw/zinc/26/15/69/268261569.db2.gz QGXUARWTKBDRGN-CQSZACIVSA-N 1 2 334.445 0.900 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1 ZINC000364953488 268275535 /nfs/dbraw/zinc/27/55/35/268275535.db2.gz HGUQPXPVCNSYKE-CWRNSKLLSA-N 1 2 347.440 0.918 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1 ZINC000364953488 268275538 /nfs/dbraw/zinc/27/55/38/268275538.db2.gz HGUQPXPVCNSYKE-CWRNSKLLSA-N 1 2 347.440 0.918 20 30 ECEDLO N#Cc1ccnc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000351727536 268289675 /nfs/dbraw/zinc/28/96/75/268289675.db2.gz XQWIXJFJDAOTQE-UHFFFAOYSA-N 1 2 337.387 0.295 20 30 ECEDLO N#Cc1ncn(CCNC(=O)N2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000286684730 268336108 /nfs/dbraw/zinc/33/61/08/268336108.db2.gz COQNVECEOJQQIP-UHFFFAOYSA-N 1 2 340.391 0.072 20 30 ECEDLO CCCCNC(=O)NC(=O)C[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000330719024 437597732 /nfs/dbraw/zinc/59/77/32/437597732.db2.gz AXLMNRZAAFOTQV-UHFFFAOYSA-N 1 2 348.469 0.173 20 30 ECEDLO CCN1CC[NH+]([C@@H]2CCN(C([O-])=[NH+][C@H]3CCc4ncnn4C3)C2)CC1 ZINC000329460908 279366209 /nfs/dbraw/zinc/36/62/09/279366209.db2.gz SEPKGTZCXMPIIU-LSDHHAIUSA-N 1 2 347.467 0.219 20 30 ECEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NCC1([S@](C)=O)CCC1 ZINC000329604077 289044349 /nfs/dbraw/zinc/04/43/49/289044349.db2.gz LOOOEZUMDHKVSH-CSTKLKAISA-N 1 2 343.493 0.997 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000330811788 437621123 /nfs/dbraw/zinc/62/11/23/437621123.db2.gz DWCJUAFQBXNHCF-BZPMIXESSA-N 1 2 330.454 0.182 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000330811788 437621128 /nfs/dbraw/zinc/62/11/28/437621128.db2.gz DWCJUAFQBXNHCF-BZPMIXESSA-N 1 2 330.454 0.182 20 30 ECEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000360538464 437623624 /nfs/dbraw/zinc/62/36/24/437623624.db2.gz ZMOAGJDLQPHNQB-GDBMZVCRSA-N 1 2 334.468 0.004 20 30 ECEDLO C#CC[NH+]1CCN(Cn2nc(NCCOC)sc2=S)CC1 ZINC000074171399 436111483 /nfs/dbraw/zinc/11/14/83/436111483.db2.gz SARNYXSBMCBXNR-UHFFFAOYSA-N 1 2 327.479 0.941 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000027040052 436171215 /nfs/dbraw/zinc/17/12/15/436171215.db2.gz SSCBONQABHYIGV-CQSZACIVSA-N 1 2 346.406 0.520 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000075967610 436181264 /nfs/dbraw/zinc/18/12/64/436181264.db2.gz JVVXJCKHLHKGNQ-UHFFFAOYSA-N 1 2 338.437 0.370 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000075967610 436181269 /nfs/dbraw/zinc/18/12/69/436181269.db2.gz JVVXJCKHLHKGNQ-UHFFFAOYSA-N 1 2 338.437 0.370 20 30 ECEDLO C=CCNC(=O)[C@@H](C)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000044741045 436347272 /nfs/dbraw/zinc/34/72/72/436347272.db2.gz GGSODFGVXHIHOZ-JKSUJKDBSA-N 1 2 336.480 0.696 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000044741045 436347277 /nfs/dbraw/zinc/34/72/77/436347277.db2.gz GGSODFGVXHIHOZ-JKSUJKDBSA-N 1 2 336.480 0.696 20 30 ECEDLO C#CC[NH+]1CCN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 ZINC000044756428 436347845 /nfs/dbraw/zinc/34/78/45/436347845.db2.gz HKCBQMCHNULSFT-UHFFFAOYSA-N 1 2 328.328 0.399 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(CC(=O)NC(C)C)CC1 ZINC000042474609 436302762 /nfs/dbraw/zinc/30/27/62/436302762.db2.gz NHCNNQCWYDRRJV-MRXNPFEDSA-N 1 2 338.496 0.942 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2cc(F)ccc2F)CC1 ZINC000080061745 436312792 /nfs/dbraw/zinc/31/27/92/436312792.db2.gz IULOYGYTKHJRFC-UHFFFAOYSA-N 1 2 349.381 0.791 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2cc(F)ccc2F)CC1 ZINC000080061745 436312798 /nfs/dbraw/zinc/31/27/98/436312798.db2.gz IULOYGYTKHJRFC-UHFFFAOYSA-N 1 2 349.381 0.791 20 30 ECEDLO C=CCNS(=O)(=O)c1cccc(C(=O)NCCn2cc[nH+]c2)c1 ZINC000042721178 436313878 /nfs/dbraw/zinc/31/38/78/436313878.db2.gz IBHXKBUSYZCFSI-UHFFFAOYSA-N 1 2 334.401 0.777 20 30 ECEDLO CCCNC(=O)CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000043783123 436335794 /nfs/dbraw/zinc/33/57/94/436335794.db2.gz FXHMMUZEMYMPAH-UHFFFAOYSA-N 1 2 343.431 0.912 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000045606597 436371153 /nfs/dbraw/zinc/37/11/53/436371153.db2.gz ITBUMMIFAHFVNY-UHFFFAOYSA-N 1 2 341.415 0.343 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CCOc2ccccc2OC)CC1 ZINC000051148363 436484878 /nfs/dbraw/zinc/48/48/78/436484878.db2.gz MWQWSEMOPHHOGN-UHFFFAOYSA-N 1 2 333.432 0.994 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2sccc2OC)CC1 ZINC000112904502 436634583 /nfs/dbraw/zinc/63/45/83/436634583.db2.gz FAXLHSCHLWQIQR-UHFFFAOYSA-N 1 2 335.429 0.654 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2sccc2OC)CC1 ZINC000112904502 436634585 /nfs/dbraw/zinc/63/45/85/436634585.db2.gz FAXLHSCHLWQIQR-UHFFFAOYSA-N 1 2 335.429 0.654 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2O)CC1 ZINC000113433433 436638075 /nfs/dbraw/zinc/63/80/75/436638075.db2.gz BYKNKCAWHUYXJG-UHFFFAOYSA-N 1 2 349.818 0.943 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2O)CC1 ZINC000113433433 436638077 /nfs/dbraw/zinc/63/80/77/436638077.db2.gz BYKNKCAWHUYXJG-UHFFFAOYSA-N 1 2 349.818 0.943 20 30 ECEDLO N#Cc1ccc(CSCC(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1 ZINC000063759418 436645921 /nfs/dbraw/zinc/64/59/21/436645921.db2.gz VFLAIMXOUDEGPA-UHFFFAOYSA-N 1 2 346.456 0.811 20 30 ECEDLO N#Cc1ccc(CSCC(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1 ZINC000063759418 436645923 /nfs/dbraw/zinc/64/59/23/436645923.db2.gz VFLAIMXOUDEGPA-UHFFFAOYSA-N 1 2 346.456 0.811 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2nccc(OC)n2)CC1 ZINC000140228288 436667522 /nfs/dbraw/zinc/66/75/22/436667522.db2.gz MJNCWZDDNLAIBU-GFCCVEGCSA-N 1 2 348.407 0.008 20 30 ECEDLO C[N@@H+]1CCO[C@@H](CNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1 ZINC000152560112 436735762 /nfs/dbraw/zinc/73/57/62/436735762.db2.gz CKIMORCOADACMU-HNNXBMFYSA-N 1 2 330.388 0.661 20 30 ECEDLO C[N@H+]1CCO[C@@H](CNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1 ZINC000152560112 436735766 /nfs/dbraw/zinc/73/57/66/436735766.db2.gz CKIMORCOADACMU-HNNXBMFYSA-N 1 2 330.388 0.661 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000123554093 436740043 /nfs/dbraw/zinc/74/00/43/436740043.db2.gz XFLYDEQUCLKMOI-UHFFFAOYSA-N 1 2 349.456 0.274 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000123554093 436740049 /nfs/dbraw/zinc/74/00/49/436740049.db2.gz XFLYDEQUCLKMOI-UHFFFAOYSA-N 1 2 349.456 0.274 20 30 ECEDLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC000068832239 436756377 /nfs/dbraw/zinc/75/63/77/436756377.db2.gz YKHTZNVIERVFBZ-MRXNPFEDSA-N 1 2 342.443 0.923 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000245614728 436765844 /nfs/dbraw/zinc/76/58/44/436765844.db2.gz MCGPZZDOXDXMAZ-UONOGXRCSA-N 1 2 329.466 0.541 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000245614728 436765849 /nfs/dbraw/zinc/76/58/49/436765849.db2.gz MCGPZZDOXDXMAZ-UONOGXRCSA-N 1 2 329.466 0.541 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCO[C@H](c3ccsc3)C2)CC1 ZINC000125482293 436771780 /nfs/dbraw/zinc/77/17/80/436771780.db2.gz TWWNJEUHRPVOTD-INIZCTEOSA-N 1 2 333.457 0.899 20 30 ECEDLO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)[NH+]1CCOCC1 ZINC000293194641 436855757 /nfs/dbraw/zinc/85/57/57/436855757.db2.gz YUWCJDOLHZDVHV-CQSZACIVSA-N 1 2 345.403 0.365 20 30 ECEDLO CN(CCC#N)S(=O)(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000159485151 436858173 /nfs/dbraw/zinc/85/81/73/436858173.db2.gz QFOBWGOBEAAFNE-UHFFFAOYSA-N 1 2 332.470 0.367 20 30 ECEDLO COCCn1nnc2c1CC[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000293232721 436859444 /nfs/dbraw/zinc/85/94/44/436859444.db2.gz KTKRPDRWOCECKF-QGZVFWFLSA-N 1 2 327.388 0.888 20 30 ECEDLO COCCn1nnc2c1CC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000293232721 436859447 /nfs/dbraw/zinc/85/94/47/436859447.db2.gz KTKRPDRWOCECKF-QGZVFWFLSA-N 1 2 327.388 0.888 20 30 ECEDLO N#Cc1cc(F)ccc1NC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000163004213 436916429 /nfs/dbraw/zinc/91/64/29/436916429.db2.gz NGQIZHXNGODFIY-UHFFFAOYSA-N 1 2 336.367 0.856 20 30 ECEDLO C=CCn1c(=O)c2ccc(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2[nH]c1=S ZINC000295205312 436963005 /nfs/dbraw/zinc/96/30/05/436963005.db2.gz KRYIRKZAODPVMH-IMRBUKKESA-N 1 2 342.424 0.819 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[NH+]2CCN(c3cccnn3)CC2)cc1 ZINC000263646356 436972645 /nfs/dbraw/zinc/97/26/45/436972645.db2.gz ARSSBFNNDMWBOR-UHFFFAOYSA-N 1 2 336.399 0.787 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCCN(c3cnn(C)c3)C2=O)C1=O ZINC000281457922 436972659 /nfs/dbraw/zinc/97/26/59/436972659.db2.gz VATCRFSXJYNBEA-CABCVRRESA-N 1 2 331.420 0.634 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(c3cnn(C)c3)C2=O)C1=O ZINC000281457922 436972662 /nfs/dbraw/zinc/97/26/62/436972662.db2.gz VATCRFSXJYNBEA-CABCVRRESA-N 1 2 331.420 0.634 20 30 ECEDLO CO[C@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1cnn(C)c1 ZINC000281502444 436976538 /nfs/dbraw/zinc/97/65/38/436976538.db2.gz GVUKBPGXRRSNEK-HNNXBMFYSA-N 1 2 335.408 0.182 20 30 ECEDLO CNS(=O)(=O)NC1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000281038430 436942252 /nfs/dbraw/zinc/94/22/52/436942252.db2.gz PVTYBYKLTHYGEG-UHFFFAOYSA-N 1 2 325.409 0.695 20 30 ECEDLO C#CCCOc1ccc(C(=O)NCC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000294672088 436959649 /nfs/dbraw/zinc/95/96/49/436959649.db2.gz ZZIMOFGFCLYKDO-UHFFFAOYSA-N 1 2 343.427 0.983 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NC(=O)NCC(F)(F)F)C1=O ZINC000281319296 436961421 /nfs/dbraw/zinc/96/14/21/436961421.db2.gz LCKPXBFTZYCUNZ-VIFPVBQESA-N 1 2 336.314 0.093 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NC(=O)NCC(F)(F)F)C1=O ZINC000281319296 436961423 /nfs/dbraw/zinc/96/14/23/436961423.db2.gz LCKPXBFTZYCUNZ-VIFPVBQESA-N 1 2 336.314 0.093 20 30 ECEDLO N#CC1(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCC1 ZINC000172523671 437017058 /nfs/dbraw/zinc/01/70/58/437017058.db2.gz ZWIRMBKTNHKEEO-AWEZNQCLSA-N 1 2 334.420 0.120 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000282956891 437021765 /nfs/dbraw/zinc/02/17/65/437021765.db2.gz VSMADUUMVOOIAL-LBPRGKRZSA-N 1 2 334.405 0.693 20 30 ECEDLO CC#CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000283346144 437027721 /nfs/dbraw/zinc/02/77/21/437027721.db2.gz XMIYYZOQIAAFTC-AWEZNQCLSA-N 1 2 329.404 0.422 20 30 ECEDLO CC#CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000283346144 437027726 /nfs/dbraw/zinc/02/77/26/437027726.db2.gz XMIYYZOQIAAFTC-AWEZNQCLSA-N 1 2 329.404 0.422 20 30 ECEDLO CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000298189629 437031413 /nfs/dbraw/zinc/03/14/13/437031413.db2.gz WJCQCAQWLXMTKB-UHFFFAOYSA-N 1 2 326.400 0.823 20 30 ECEDLO CS(=O)(=O)c1ccc(NC(=O)CO[NH+]=C(N)[C@H]2CCCO2)cc1 ZINC000283908523 437033312 /nfs/dbraw/zinc/03/33/12/437033312.db2.gz DLSJCKCYSYXZDB-GFCCVEGCSA-N 1 2 341.389 0.496 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCN(c3nccn4cnnc34)[C@@H](C)C2)C1=O ZINC000281895676 437004872 /nfs/dbraw/zinc/00/48/72/437004872.db2.gz FFNYZOWDRPAKQW-UONOGXRCSA-N 1 2 341.419 0.422 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(c3nccn4cnnc34)[C@@H](C)C2)C1=O ZINC000281895676 437004877 /nfs/dbraw/zinc/00/48/77/437004877.db2.gz FFNYZOWDRPAKQW-UONOGXRCSA-N 1 2 341.419 0.422 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCN([C@H]3CCN(CC=C)C3=O)[C@H](C)C2)C1=O ZINC000281912250 437005157 /nfs/dbraw/zinc/00/51/57/437005157.db2.gz GONGTOQKEQAVPD-ZACQAIPSSA-N 1 2 346.475 0.566 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCN([C@H]3CCN(CC=C)C3=O)[C@H](C)C2)C1=O ZINC000281912250 437005160 /nfs/dbraw/zinc/00/51/60/437005160.db2.gz GONGTOQKEQAVPD-ZACQAIPSSA-N 1 2 346.475 0.566 20 30 ECEDLO C=CCN1CC[C@@H](N2CC[N@H+]([C@H]3CCN(CC=C)C3=O)[C@H](C)C2)C1=O ZINC000281912250 437005163 /nfs/dbraw/zinc/00/51/63/437005163.db2.gz GONGTOQKEQAVPD-ZACQAIPSSA-N 1 2 346.475 0.566 20 30 ECEDLO C=CCN1CC[C@@H](N2CC[N@@H+]([C@H]3CCN(CC=C)C3=O)[C@H](C)C2)C1=O ZINC000281912250 437005165 /nfs/dbraw/zinc/00/51/65/437005165.db2.gz GONGTOQKEQAVPD-ZACQAIPSSA-N 1 2 346.475 0.566 20 30 ECEDLO N#Cc1ccsc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000172323432 437011046 /nfs/dbraw/zinc/01/10/46/437011046.db2.gz JZYDEYMQWOBYPI-ZDUSSCGKSA-N 1 2 348.428 0.283 20 30 ECEDLO C=CCN(C)C(=O)C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000284439702 437053189 /nfs/dbraw/zinc/05/31/89/437053189.db2.gz LMNJGXBTHUPDOG-CYBMUJFWSA-N 1 2 332.404 0.567 20 30 ECEDLO CNC(=O)c1cccc(NC(=O)[C@@H](C)O[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000284442151 437053626 /nfs/dbraw/zinc/05/36/26/437053626.db2.gz PLIGFEIKTYYTIP-MFKMUULPSA-N 1 2 334.376 0.841 20 30 ECEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3F)C[C@H]21 ZINC000285425484 437077905 /nfs/dbraw/zinc/07/79/05/437077905.db2.gz XZBQHSYFIJLKSG-CABCVRRESA-N 1 2 346.362 0.567 20 30 ECEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3F)C[C@H]21 ZINC000285425484 437077907 /nfs/dbraw/zinc/07/79/07/437077907.db2.gz XZBQHSYFIJLKSG-CABCVRRESA-N 1 2 346.362 0.567 20 30 ECEDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)CCO1 ZINC000276347940 437091406 /nfs/dbraw/zinc/09/14/06/437091406.db2.gz HOZCHXAQZTWFBE-SQRWCISFSA-N 1 2 342.399 0.216 20 30 ECEDLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)CCO1 ZINC000276347940 437091412 /nfs/dbraw/zinc/09/14/12/437091412.db2.gz HOZCHXAQZTWFBE-SQRWCISFSA-N 1 2 342.399 0.216 20 30 ECEDLO C#CCNc1nc(N(C)C[C@@H](C)OC)nc(N(C)C[C@H](C)OC)[nH+]1 ZINC000286265722 437087606 /nfs/dbraw/zinc/08/76/06/437087606.db2.gz FISGTVCHJKAUQG-BETUJISGSA-N 1 2 336.440 0.859 20 30 ECEDLO C#CCNc1nc(N(C)C[C@H](C)OC)nc(N(C)C[C@@H](C)OC)[nH+]1 ZINC000286265722 437087610 /nfs/dbraw/zinc/08/76/10/437087610.db2.gz FISGTVCHJKAUQG-BETUJISGSA-N 1 2 336.440 0.859 20 30 ECEDLO C#CCNc1nc(N2CCOC[C@H]2C)nc(N2CCOC[C@H]2C)[nH+]1 ZINC000286312921 437088059 /nfs/dbraw/zinc/08/80/59/437088059.db2.gz ZHLNGKKSEUVAQZ-CHWSQXEVSA-N 1 2 332.408 0.367 20 30 ECEDLO C#CCNc1nc(N2CCOC[C@H]2C)[nH+]c(N2CCOC[C@H]2C)n1 ZINC000286312921 437088064 /nfs/dbraw/zinc/08/80/64/437088064.db2.gz ZHLNGKKSEUVAQZ-CHWSQXEVSA-N 1 2 332.408 0.367 20 30 ECEDLO CC(C)[C@@H](CNS(=O)(=O)c1ccc(C#N)o1)[NH+]1CCOCC1 ZINC000286536169 437098278 /nfs/dbraw/zinc/09/82/78/437098278.db2.gz GSTATBWJDJCSOQ-CYBMUJFWSA-N 1 2 327.406 0.786 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnn(C(C)(C)C)c2)CC1 ZINC000264981827 437100957 /nfs/dbraw/zinc/10/09/57/437100957.db2.gz IMCWAXNROQRVCG-UHFFFAOYSA-N 1 2 345.447 0.535 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnn(C(C)(C)C)c2)CC1 ZINC000264981827 437100963 /nfs/dbraw/zinc/10/09/63/437100963.db2.gz IMCWAXNROQRVCG-UHFFFAOYSA-N 1 2 345.447 0.535 20 30 ECEDLO N#C[C@@H](c1ccccc1)N1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000302961074 437155173 /nfs/dbraw/zinc/15/51/73/437155173.db2.gz LIRQVVJKAAANDD-MOPGFXCFSA-N 1 2 344.459 0.562 20 30 ECEDLO C#CCN1CCN(C(=O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)CC1 ZINC000305111570 437158960 /nfs/dbraw/zinc/15/89/60/437158960.db2.gz DCBCATZQUUEVGV-OAHLLOKOSA-N 1 2 347.381 0.399 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000331655988 437137976 /nfs/dbraw/zinc/13/79/76/437137976.db2.gz OIFMVBWXJCTPKP-ZENOOKHLSA-N 1 2 325.409 0.657 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000331655988 437137981 /nfs/dbraw/zinc/13/79/81/437137981.db2.gz OIFMVBWXJCTPKP-ZENOOKHLSA-N 1 2 325.409 0.657 20 30 ECEDLO CNc1nc(C)cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000287461333 437192870 /nfs/dbraw/zinc/19/28/70/437192870.db2.gz DHSIWLYGAWGZQL-UHFFFAOYSA-N 1 2 332.408 0.515 20 30 ECEDLO COc1cc(C#N)ccc1OCCO[NH+]=C(N)CN1CCOCC1 ZINC000265806159 437195083 /nfs/dbraw/zinc/19/50/83/437195083.db2.gz DDTMAIYANDGDQU-UHFFFAOYSA-N 1 2 334.376 0.567 20 30 ECEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000287576271 437207795 /nfs/dbraw/zinc/20/77/95/437207795.db2.gz YBSRKLXBSXACJQ-CQSZACIVSA-N 1 2 339.417 0.883 20 30 ECEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000287576271 437207801 /nfs/dbraw/zinc/20/78/01/437207801.db2.gz YBSRKLXBSXACJQ-CQSZACIVSA-N 1 2 339.417 0.883 20 30 ECEDLO C[C@H](C#N)CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000178194973 437208344 /nfs/dbraw/zinc/20/83/44/437208344.db2.gz DPOLVVXEZWRQRX-CQSZACIVSA-N 1 2 329.404 0.786 20 30 ECEDLO COc1ccccc1C[NH+]1CCN(C(=O)Cn2cnc(C#N)n2)CC1 ZINC000178521976 437217967 /nfs/dbraw/zinc/21/79/67/437217967.db2.gz HQUXFQCLUZVACI-UHFFFAOYSA-N 1 2 340.387 0.503 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C(C)(C)C)on2)CC1 ZINC000266163601 437221158 /nfs/dbraw/zinc/22/11/58/437221158.db2.gz UHKBWESOGVDAOK-UHFFFAOYSA-N 1 2 346.431 0.869 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C(C)(C)C)on2)CC1 ZINC000266163601 437221161 /nfs/dbraw/zinc/22/11/61/437221161.db2.gz UHKBWESOGVDAOK-UHFFFAOYSA-N 1 2 346.431 0.869 20 30 ECEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000178673906 437223051 /nfs/dbraw/zinc/22/30/51/437223051.db2.gz YZCRIIOILJABAD-UHFFFAOYSA-N 1 2 337.445 0.944 20 30 ECEDLO C=CCc1ccc(OCC(=O)NC[C@@H]2C[NH+]3CCN2CC3)c(OC)c1 ZINC000178653015 437223510 /nfs/dbraw/zinc/22/35/10/437223510.db2.gz ZXFFKOYCBZJIPU-MRXNPFEDSA-N 1 2 345.443 0.919 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1 ZINC000325845603 437232587 /nfs/dbraw/zinc/23/25/87/437232587.db2.gz YYLGEJQOZPPLQO-ZBFHGGJFSA-N 1 2 347.440 0.932 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1 ZINC000325845603 437232591 /nfs/dbraw/zinc/23/25/91/437232591.db2.gz YYLGEJQOZPPLQO-ZBFHGGJFSA-N 1 2 347.440 0.932 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000332673514 437241507 /nfs/dbraw/zinc/24/15/07/437241507.db2.gz JCKLGWAUPBQIEE-PXAZEXFGSA-N 1 2 331.420 0.581 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000332673514 437241513 /nfs/dbraw/zinc/24/15/13/437241513.db2.gz JCKLGWAUPBQIEE-PXAZEXFGSA-N 1 2 331.420 0.581 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000334010160 437292804 /nfs/dbraw/zinc/29/28/04/437292804.db2.gz FBCVAVDSGDQVBO-MCIONIFRSA-N 1 2 325.409 0.250 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000334010160 437292807 /nfs/dbraw/zinc/29/28/07/437292807.db2.gz FBCVAVDSGDQVBO-MCIONIFRSA-N 1 2 325.409 0.250 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc3c(c2)OCO3)C1=O ZINC000337229676 437342338 /nfs/dbraw/zinc/34/23/38/437342338.db2.gz SCDZGFQIVYYEBX-CQSZACIVSA-N 1 2 345.399 0.750 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc3c(c2)OCO3)C1=O ZINC000337229676 437342342 /nfs/dbraw/zinc/34/23/42/437342342.db2.gz SCDZGFQIVYYEBX-CQSZACIVSA-N 1 2 345.399 0.750 20 30 ECEDLO CNC(=O)[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CCO1 ZINC000182477382 437350250 /nfs/dbraw/zinc/35/02/50/437350250.db2.gz YWBOYWAFBIYINT-INIZCTEOSA-N 1 2 339.399 0.906 20 30 ECEDLO CNC(=O)[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CCO1 ZINC000182477382 437350254 /nfs/dbraw/zinc/35/02/54/437350254.db2.gz YWBOYWAFBIYINT-INIZCTEOSA-N 1 2 339.399 0.906 20 30 ECEDLO COc1ccccc1[C@H]1CN(C(=O)Cn2cnc(C#N)n2)CC[NH2+]1 ZINC000337584408 437366387 /nfs/dbraw/zinc/36/63/87/437366387.db2.gz KFLZRUVNRJMQMO-CYBMUJFWSA-N 1 2 326.360 0.331 20 30 ECEDLO COc1ccc(NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)nn1 ZINC000329150282 437325919 /nfs/dbraw/zinc/32/59/19/437325919.db2.gz ZKDGHXNSLUPCBH-ZYHUDNBSSA-N 1 2 332.364 1.465 20 30 ECEDLO Cc1nnc2n1C[C@H](C[NH+]=C([O-])N1CC[C@@H]3OCC[N@@H+](C)[C@@H]3C1)CC2 ZINC000329149951 437326253 /nfs/dbraw/zinc/32/62/53/437326253.db2.gz ZFAJLZJGDDTVES-ZNMIVQPWSA-N 1 2 348.451 0.468 20 30 ECEDLO Cc1nnc2n1C[C@H](C[NH+]=C([O-])N1CC[C@@H]3OCC[N@H+](C)[C@@H]3C1)CC2 ZINC000329149951 437326258 /nfs/dbraw/zinc/32/62/58/437326258.db2.gz ZFAJLZJGDDTVES-ZNMIVQPWSA-N 1 2 348.451 0.468 20 30 ECEDLO Cc1nnc2n1C[C@H](CNC(=O)N1CC[C@@H]3OCC[N@@H+](C)[C@@H]3C1)CC2 ZINC000329149951 437326260 /nfs/dbraw/zinc/32/62/60/437326260.db2.gz ZFAJLZJGDDTVES-ZNMIVQPWSA-N 1 2 348.451 0.468 20 30 ECEDLO Cc1nnc2n1C[C@H](CNC(=O)N1CC[C@@H]3OCC[N@H+](C)[C@@H]3C1)CC2 ZINC000329149951 437326264 /nfs/dbraw/zinc/32/62/64/437326264.db2.gz ZFAJLZJGDDTVES-ZNMIVQPWSA-N 1 2 348.451 0.468 20 30 ECEDLO C=CCNC(=O)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000181648678 437326627 /nfs/dbraw/zinc/32/66/27/437326627.db2.gz ULVUCZGFWJCIGJ-UHFFFAOYSA-N 1 2 329.316 0.813 20 30 ECEDLO COc1cccc(C(N)=[NH+]O[C@H](C)C(=O)N2CCN(C(C)=O)CC2)c1 ZINC000267417352 437328665 /nfs/dbraw/zinc/32/86/65/437328665.db2.gz LRKNGXZMVLTAKB-GFCCVEGCSA-N 1 2 348.403 0.411 20 30 ECEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NC[C@@H]3COCCO3)C2)CC1 ZINC000329184277 437332318 /nfs/dbraw/zinc/33/23/18/437332318.db2.gz PSXBWEVPXJFMLR-HUUCEWRRSA-N 1 2 326.441 0.028 20 30 ECEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC1([S@](C)=O)CC1 ZINC000329199286 437333224 /nfs/dbraw/zinc/33/32/24/437333224.db2.gz AXXUDMGTGAOBHO-IFMYKAFSSA-N 1 2 329.466 0.607 20 30 ECEDLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000337145723 437334274 /nfs/dbraw/zinc/33/42/74/437334274.db2.gz FADPKLABDQXTKQ-CYBMUJFWSA-N 1 2 339.421 0.120 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)O1 ZINC000338353025 437405293 /nfs/dbraw/zinc/40/52/93/437405293.db2.gz WRXQGUMCWNTTDO-FJBDOQBJSA-N 1 2 349.431 0.978 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)O1 ZINC000338353025 437405296 /nfs/dbraw/zinc/40/52/96/437405296.db2.gz WRXQGUMCWNTTDO-FJBDOQBJSA-N 1 2 349.431 0.978 20 30 ECEDLO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000338361215 437405791 /nfs/dbraw/zinc/40/57/91/437405791.db2.gz ZQQCXVVJZZOXAT-XPKDYRNWSA-N 1 2 334.372 0.560 20 30 ECEDLO COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000338361215 437405795 /nfs/dbraw/zinc/40/57/95/437405795.db2.gz ZQQCXVVJZZOXAT-XPKDYRNWSA-N 1 2 334.372 0.560 20 30 ECEDLO C[C@@H]1CN(c2ccc(CNC(=O)N3CC(=O)N(C)C3)c[nH+]2)CCO1 ZINC000329750796 437408967 /nfs/dbraw/zinc/40/89/67/437408967.db2.gz VEZPTOZMCGKTFN-GFCCVEGCSA-N 1 2 333.392 0.452 20 30 ECEDLO C[C@H]([C@H](C)NC(=O)N1CCN2CCOC[C@@H]2C1)[NH+]1CCOCC1 ZINC000329781022 437412866 /nfs/dbraw/zinc/41/28/66/437412866.db2.gz NASIRGWYEOGHQC-ZNMIVQPWSA-N 1 2 326.441 0.026 20 30 ECEDLO CC[C@@H]1CC[C@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)O1 ZINC000329828103 437417583 /nfs/dbraw/zinc/41/75/83/437417583.db2.gz RSZPNCZMQBRHRN-RBSFLKMASA-N 1 2 339.436 0.834 20 30 ECEDLO COC1(C)CN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000329844571 437420074 /nfs/dbraw/zinc/42/00/74/437420074.db2.gz OJLSRSCDQSFJQI-UHFFFAOYSA-N 1 2 347.419 0.735 20 30 ECEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCN2CCOC[C@@H]2C1 ZINC000329847012 437420809 /nfs/dbraw/zinc/42/08/09/437420809.db2.gz PDMKNLOGTUTSLF-CABCVRRESA-N 1 2 331.420 0.591 20 30 ECEDLO CC(=O)N1CCC[C@H](CNC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000329914844 437430633 /nfs/dbraw/zinc/43/06/33/437430633.db2.gz CSIJGHLTDONCJG-OAHLLOKOSA-N 1 2 340.468 0.859 20 30 ECEDLO C=CCn1c(-c2ccoc2)nnc1N1CC[NH+](CC(=O)NCC)CC1 ZINC000337865602 437382804 /nfs/dbraw/zinc/38/28/04/437382804.db2.gz PZRNZAYNFGKYDR-UHFFFAOYSA-N 1 2 344.419 0.982 20 30 ECEDLO Cc1nc(N2CCN(CC(=O)N(CCC#N)CCC#N)CC2)cc[nH+]1 ZINC000183790698 437391462 /nfs/dbraw/zinc/39/14/62/437391462.db2.gz KXQRCYXEHKWCFS-UHFFFAOYSA-N 1 2 341.419 0.563 20 30 ECEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000289275604 437395338 /nfs/dbraw/zinc/39/53/38/437395338.db2.gz YRZHZPHLCHTFTM-XJKSGUPXSA-N 1 2 342.399 0.818 20 30 ECEDLO Cc1nn(C)c(-n2cccn2)c1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330221348 437471628 /nfs/dbraw/zinc/47/16/28/437471628.db2.gz LNYKWJURXMHYMT-LBPRGKRZSA-N 1 2 332.408 0.940 20 30 ECEDLO Cc1nn(C)c(-n2cccn2)c1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330221348 437471631 /nfs/dbraw/zinc/47/16/31/437471631.db2.gz LNYKWJURXMHYMT-LBPRGKRZSA-N 1 2 332.408 0.940 20 30 ECEDLO Cn1cc(CNC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)c(C(F)(F)F)n1 ZINC000330237678 437472367 /nfs/dbraw/zinc/47/23/67/437472367.db2.gz AQGQFBVTEQPGAB-NSHDSACASA-N 1 2 348.373 0.688 20 30 ECEDLO Cn1cc(CNC(=O)NC[C@H]2CN(C)CC[N@H+]2C)c(C(F)(F)F)n1 ZINC000330237678 437472372 /nfs/dbraw/zinc/47/23/72/437472372.db2.gz AQGQFBVTEQPGAB-NSHDSACASA-N 1 2 348.373 0.688 20 30 ECEDLO COC(=O)c1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c[nH]1 ZINC000339587713 437476538 /nfs/dbraw/zinc/47/65/38/437476538.db2.gz SCNSHMXJEROOIE-UHFFFAOYSA-N 1 2 334.376 0.489 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCc2nnc3n2CCCC3)CC1 ZINC000330267584 437477243 /nfs/dbraw/zinc/47/72/43/437477243.db2.gz QQTRVALLBOZFGS-UHFFFAOYSA-N 1 2 349.439 0.960 20 30 ECEDLO O=C([C@@H]1CCCO1)N1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330314350 437482932 /nfs/dbraw/zinc/48/29/32/437482932.db2.gz XUOFKXSZVJPKTK-KGLIPLIRSA-N 1 2 347.419 0.435 20 30 ECEDLO CC(C)Nc1nc(NCCO)[nH+]c(NCC2CCC(C#N)CC2)n1 ZINC000343035040 437485377 /nfs/dbraw/zinc/48/53/77/437485377.db2.gz QEIIZFRLRNVBNZ-UHFFFAOYSA-N 1 2 333.440 0.104 20 30 ECEDLO CC(C)Nc1nc(NCCO)nc(NCC2CCC(C#N)CC2)[nH+]1 ZINC000343035040 437485383 /nfs/dbraw/zinc/48/53/83/437485383.db2.gz QEIIZFRLRNVBNZ-UHFFFAOYSA-N 1 2 333.440 0.104 20 30 ECEDLO CC(C)Nc1nc(NCC2CCC(C#N)CC2)nc(NCCO)[nH+]1 ZINC000343035040 437485385 /nfs/dbraw/zinc/48/53/85/437485385.db2.gz QEIIZFRLRNVBNZ-UHFFFAOYSA-N 1 2 333.440 0.104 20 30 ECEDLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)CCC2CCOCC2)CC1 ZINC000330344419 437485721 /nfs/dbraw/zinc/48/57/21/437485721.db2.gz CXLAMXPFSODKOZ-UHFFFAOYSA-N 1 2 347.481 0.773 20 30 ECEDLO C[C@H](NC(=O)C(C)(C)C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000343040847 437486277 /nfs/dbraw/zinc/48/62/77/437486277.db2.gz UICYRJSSICHNRN-AWEZNQCLSA-N 1 2 338.452 0.612 20 30 ECEDLO CC(C)OCCS(=O)(=O)N1CC[NH+](CCOCCC#N)CC1 ZINC000339009276 437434602 /nfs/dbraw/zinc/43/46/02/437434602.db2.gz FBWAJLDZQVNDOE-UHFFFAOYSA-N 1 2 333.454 0.289 20 30 ECEDLO C[C@@H](CNC(=O)N1C[C@@H](C)O[C@]2(CCOC2)C1)[NH+]1CCOCC1 ZINC000329944260 437435081 /nfs/dbraw/zinc/43/50/81/437435081.db2.gz FDCLFCCTHPBGOO-SQWLQELKSA-N 1 2 327.425 0.501 20 30 ECEDLO CN(C)C(=O)c1cccc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000329958726 437438228 /nfs/dbraw/zinc/43/82/28/437438228.db2.gz QTUNHMADHFFWQU-LSDHHAIUSA-N 1 2 332.404 0.949 20 30 ECEDLO CN(C)C(=O)c1cccc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000329958726 437438230 /nfs/dbraw/zinc/43/82/30/437438230.db2.gz QTUNHMADHFFWQU-LSDHHAIUSA-N 1 2 332.404 0.949 20 30 ECEDLO CCN1CN(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC1=O ZINC000330052792 437448824 /nfs/dbraw/zinc/44/88/24/437448824.db2.gz PPHIZCDGLWWVHX-UHFFFAOYSA-N 1 2 333.392 0.454 20 30 ECEDLO Cn1cnc2c(c1=O)CCN(C(=O)NCC[N@@H+]1CCOC(C)(C)C1)C2 ZINC000330069932 437450222 /nfs/dbraw/zinc/45/02/22/437450222.db2.gz WRAMOHMYKVFLRF-UHFFFAOYSA-N 1 2 349.435 0.163 20 30 ECEDLO Cn1cnc2c(c1=O)CCN(C(=O)NCC[N@H+]1CCOC(C)(C)C1)C2 ZINC000330069932 437450225 /nfs/dbraw/zinc/45/02/25/437450225.db2.gz WRAMOHMYKVFLRF-UHFFFAOYSA-N 1 2 349.435 0.163 20 30 ECEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@@H]1C=C[C@H](CO)C1 ZINC000330090088 437454551 /nfs/dbraw/zinc/45/45/51/437454551.db2.gz PETXAIPVSVNFGA-UONOGXRCSA-N 1 2 335.408 0.478 20 30 ECEDLO C[C@@H](CNC(=O)N1C[C@@H](C)O[C@@]2(CCCOC2)C1)[NH+]1CCOCC1 ZINC000330090700 437454923 /nfs/dbraw/zinc/45/49/23/437454923.db2.gz XCSORRIKWRABEL-UXLLHSPISA-N 1 2 341.452 0.891 20 30 ECEDLO CS(=O)(=O)N1CCC[C@H]([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330183292 437464264 /nfs/dbraw/zinc/46/42/64/437464264.db2.gz PUEVJJQAJBIGAU-NEPJUHHUSA-N 1 2 341.437 0.126 20 30 ECEDLO CS(=O)(=O)N1CCC[C@H](NC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330183292 437464267 /nfs/dbraw/zinc/46/42/67/437464267.db2.gz PUEVJJQAJBIGAU-NEPJUHHUSA-N 1 2 341.437 0.126 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccn(C)c2CC)CC1 ZINC000290149711 437466623 /nfs/dbraw/zinc/46/66/23/437466623.db2.gz CGKXHQABRSPVOP-UHFFFAOYSA-N 1 2 330.432 0.485 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccn(C)c2CC)CC1 ZINC000290149711 437466627 /nfs/dbraw/zinc/46/66/27/437466627.db2.gz CGKXHQABRSPVOP-UHFFFAOYSA-N 1 2 330.432 0.485 20 30 ECEDLO CC(=O)N1CC[NH+](CCNC(=O)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000360015947 437505508 /nfs/dbraw/zinc/50/55/08/437505508.db2.gz MCBIZXLMUHWTKH-AWEZNQCLSA-N 1 2 328.416 0.942 20 30 ECEDLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000187546222 437505855 /nfs/dbraw/zinc/50/58/55/437505855.db2.gz WFLHPGJZYWRPGJ-LLVKDONJSA-N 1 2 334.351 0.161 20 30 ECEDLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)CC2(C#N)CCCC2)CC1 ZINC000354075589 437521260 /nfs/dbraw/zinc/52/12/60/437521260.db2.gz MMLUMMMXTHKHSZ-UHFFFAOYSA-N 1 2 342.465 0.200 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000330511988 437536221 /nfs/dbraw/zinc/53/62/21/437536221.db2.gz JZQJJNVPHQFZJV-BXUZGUMPSA-N 1 2 330.454 0.182 20 30 ECEDLO Cn1ncc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)c1C#N ZINC000354311013 437581906 /nfs/dbraw/zinc/58/19/06/437581906.db2.gz ITFBFTRCIPPHBZ-UHFFFAOYSA-N 1 2 326.360 0.453 20 30 ECEDLO Cc1nc(C)n(C[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CCO2)n1 ZINC000330665100 437582420 /nfs/dbraw/zinc/58/24/20/437582420.db2.gz VBYXVRRKABSGNV-DOMZBBRYSA-N 1 2 334.424 0.356 20 30 ECEDLO Cc1nc(C)n(C[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CCO2)n1 ZINC000330665100 437582425 /nfs/dbraw/zinc/58/24/25/437582425.db2.gz VBYXVRRKABSGNV-DOMZBBRYSA-N 1 2 334.424 0.356 20 30 ECEDLO Cc1oc(S(N)(=O)=O)cc1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000330661374 437582801 /nfs/dbraw/zinc/58/28/01/437582801.db2.gz CDVSMBMVJDXQMY-UHFFFAOYSA-N 1 2 345.421 0.651 20 30 ECEDLO Cc1oc(S(N)(=O)=O)cc1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000330661374 437582805 /nfs/dbraw/zinc/58/28/05/437582805.db2.gz CDVSMBMVJDXQMY-UHFFFAOYSA-N 1 2 345.421 0.651 20 30 ECEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCCCC(=O)N(C)C)C2)CC1 ZINC000330663940 437583863 /nfs/dbraw/zinc/58/38/63/437583863.db2.gz XXWUZGGGIJCNEE-OAHLLOKOSA-N 1 2 339.484 0.481 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H]2CCO[C@H](CC)C2)CC1 ZINC000360679963 437632008 /nfs/dbraw/zinc/63/20/08/437632008.db2.gz JBSBFUSDJYJBBJ-DLBZAZTESA-N 1 2 349.475 0.865 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2CCO[C@H](CC)C2)CC1 ZINC000360679963 437632011 /nfs/dbraw/zinc/63/20/11/437632011.db2.gz JBSBFUSDJYJBBJ-DLBZAZTESA-N 1 2 349.475 0.865 20 30 ECEDLO N#CCCCC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000291858451 437635667 /nfs/dbraw/zinc/63/56/67/437635667.db2.gz CVTGPGQVADUAPY-UHFFFAOYSA-N 1 2 344.419 0.656 20 30 ECEDLO N#CCCCC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000291858451 437635672 /nfs/dbraw/zinc/63/56/72/437635672.db2.gz CVTGPGQVADUAPY-UHFFFAOYSA-N 1 2 344.419 0.656 20 30 ECEDLO C=C(C)COCCNC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000361106981 437656991 /nfs/dbraw/zinc/65/69/91/437656991.db2.gz YPKABDXBVLIQAS-CQSZACIVSA-N 1 2 349.435 0.803 20 30 ECEDLO CCCCNC(=O)NC(=O)CN1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000331013148 437669042 /nfs/dbraw/zinc/66/90/42/437669042.db2.gz WSAKIUUBRIKGOT-ZDUSSCGKSA-N 1 2 336.440 0.539 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355085397 437669334 /nfs/dbraw/zinc/66/93/34/437669334.db2.gz XXMRAOHRDXSLME-UHFFFAOYSA-N 1 2 328.376 0.087 20 30 ECEDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000292413344 437688276 /nfs/dbraw/zinc/68/82/76/437688276.db2.gz UPPQAMBRBQWHDO-AWEZNQCLSA-N 1 2 344.371 0.250 20 30 ECEDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000292413344 437688281 /nfs/dbraw/zinc/68/82/81/437688281.db2.gz UPPQAMBRBQWHDO-AWEZNQCLSA-N 1 2 344.371 0.250 20 30 ECEDLO C=CCOc1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1OC ZINC000355318430 437697320 /nfs/dbraw/zinc/69/73/20/437697320.db2.gz FIDNAJLKWRAJQD-ZDUSSCGKSA-N 1 2 331.372 0.996 20 30 ECEDLO C=CCOc1ccc(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1OC ZINC000355318430 437697327 /nfs/dbraw/zinc/69/73/27/437697327.db2.gz FIDNAJLKWRAJQD-ZDUSSCGKSA-N 1 2 331.372 0.996 20 30 ECEDLO CC(C)OC[C@H](O)C[N@@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000361935009 437703855 /nfs/dbraw/zinc/70/38/55/437703855.db2.gz ARQSKPMBSQIFEN-QGZVFWFLSA-N 1 2 331.416 0.988 20 30 ECEDLO CC(C)OC[C@H](O)C[N@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000361935009 437703861 /nfs/dbraw/zinc/70/38/61/437703861.db2.gz ARQSKPMBSQIFEN-QGZVFWFLSA-N 1 2 331.416 0.988 20 30 ECEDLO C[C@H](CNC(=O)Nc1cc(OC(F)F)n(C)n1)[NH+]1CCOCC1 ZINC000331174629 437705928 /nfs/dbraw/zinc/70/59/28/437705928.db2.gz JJNUPUSDUIDVGX-SECBINFHSA-N 1 2 333.339 1.068 20 30 ECEDLO CN(CCCO)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 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COEFCIDGFWVLCB-CQSZACIVSA-N 1 2 335.429 0.924 20 30 ECEDLO C=C(C)CS(=O)(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000370470229 437788452 /nfs/dbraw/zinc/78/84/52/437788452.db2.gz QPIPRURGYGPXBM-UHFFFAOYSA-N 1 2 332.466 0.752 20 30 ECEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346450896 437811631 /nfs/dbraw/zinc/81/16/31/437811631.db2.gz XXOXMERUFBNQDS-STQMWFEESA-N 1 2 342.465 0.339 20 30 ECEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346450896 437811635 /nfs/dbraw/zinc/81/16/35/437811635.db2.gz XXOXMERUFBNQDS-STQMWFEESA-N 1 2 342.465 0.339 20 30 ECEDLO C=CCOc1ccc(C(=O)NCC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000346570292 437813789 /nfs/dbraw/zinc/81/37/89/437813789.db2.gz JJSATQSVHKQIHC-UHFFFAOYSA-N 1 2 347.415 0.430 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC(OCC)OCC)CC1 ZINC000365109137 437860857 /nfs/dbraw/zinc/86/08/57/437860857.db2.gz HIJJNCRUTZIJHD-UHFFFAOYSA-N 1 2 339.436 0.059 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC(OCC)OCC)CC1 ZINC000365109137 437860862 /nfs/dbraw/zinc/86/08/62/437860862.db2.gz HIJJNCRUTZIJHD-UHFFFAOYSA-N 1 2 339.436 0.059 20 30 ECEDLO CC(C)CCC(=O)NCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000347264587 437863097 /nfs/dbraw/zinc/86/30/97/437863097.db2.gz JEHFOOHQHKJEGL-UHFFFAOYSA-N 1 2 338.452 0.613 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCO[C@@H](CC)C2)CC1 ZINC000371672790 437976707 /nfs/dbraw/zinc/97/67/07/437976707.db2.gz VFJOLWKGFJNHPU-CVEARBPZSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCO[C@@H](CC)C2)CC1 ZINC000371672790 437976709 /nfs/dbraw/zinc/97/67/09/437976709.db2.gz VFJOLWKGFJNHPU-CVEARBPZSA-N 1 2 335.448 0.475 20 30 ECEDLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 ZINC000425199749 438018839 /nfs/dbraw/zinc/01/88/39/438018839.db2.gz GCPMLTMEZWHSFH-ZDUSSCGKSA-N 1 2 332.470 0.365 20 30 ECEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N[C@@H](CO)C[NH+]2CCOCC2)cc1 ZINC000425298524 438021013 /nfs/dbraw/zinc/02/10/13/438021013.db2.gz WYWBEYHRXOMPRZ-IAGOWNOFSA-N 1 2 342.399 0.050 20 30 ECEDLO C=CCCO[C@H](C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000366274041 438046174 /nfs/dbraw/zinc/04/61/74/438046174.db2.gz VOSLNJMTXCKFRR-WBVHZDCISA-N 1 2 326.437 0.965 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000372403800 438085947 /nfs/dbraw/zinc/08/59/47/438085947.db2.gz HIFPTEOGWIUNEU-CQSZACIVSA-N 1 2 333.417 0.720 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000372403800 438085950 /nfs/dbraw/zinc/08/59/50/438085950.db2.gz HIFPTEOGWIUNEU-CQSZACIVSA-N 1 2 333.417 0.720 20 30 ECEDLO COC(=O)c1cc(CN(CCC#N)CC[NH+]2CCOCC2)cn1C ZINC000428464191 438088745 /nfs/dbraw/zinc/08/87/45/438088745.db2.gz OZVIPHIYXLSEAV-UHFFFAOYSA-N 1 2 334.420 0.860 20 30 ECEDLO Cc1ccc(C(=O)NCCn2cc[nH+]c2)cc1S(=O)(=O)NCC#N ZINC000342783730 438062212 /nfs/dbraw/zinc/06/22/12/438062212.db2.gz QAQCLYXWCFYCMY-UHFFFAOYSA-N 1 2 347.400 0.423 20 30 ECEDLO Cc1ccc(C(=O)NCc2[nH+]ccn2C)cc1S(=O)(=O)NCC#N ZINC000342854335 438075091 /nfs/dbraw/zinc/07/50/91/438075091.db2.gz UBYIWSNLPRSFDE-UHFFFAOYSA-N 1 2 347.400 0.460 20 30 ECEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000366737092 438119712 /nfs/dbraw/zinc/11/97/12/438119712.db2.gz PGPZXJKDRVDEJP-QLFBSQMISA-N 1 2 347.415 0.758 20 30 ECEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1C[C@H](O)C[C@H]1CO ZINC000366737092 438119716 /nfs/dbraw/zinc/11/97/16/438119716.db2.gz PGPZXJKDRVDEJP-QLFBSQMISA-N 1 2 347.415 0.758 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000367131228 438169078 /nfs/dbraw/zinc/16/90/78/438169078.db2.gz OXFXEWDDUNRRRW-KGLIPLIRSA-N 1 2 337.449 0.976 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)N(C)CC(F)(F)F)CC1 ZINC000367131105 438169237 /nfs/dbraw/zinc/16/92/37/438169237.db2.gz NISYIJFLONUMNB-UHFFFAOYSA-N 1 2 334.342 0.358 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)N(C)CC(F)(F)F)CC1 ZINC000367131105 438169241 /nfs/dbraw/zinc/16/92/41/438169241.db2.gz NISYIJFLONUMNB-UHFFFAOYSA-N 1 2 334.342 0.358 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000367136287 438170813 /nfs/dbraw/zinc/17/08/13/438170813.db2.gz XBEIUMXOQVKIBQ-CQSZACIVSA-N 1 2 337.449 0.930 20 30 ECEDLO N#C[C@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@]12c1ccccc1NC2=O ZINC000374367893 438205041 /nfs/dbraw/zinc/20/50/41/438205041.db2.gz SGRASGFBJMQFIU-KPZWWZAWSA-N 1 2 338.367 0.481 20 30 ECEDLO N#C[C@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@]12c1ccccc1NC2=O ZINC000374367893 438205046 /nfs/dbraw/zinc/20/50/46/438205046.db2.gz SGRASGFBJMQFIU-KPZWWZAWSA-N 1 2 338.367 0.481 20 30 ECEDLO N#Cc1ccc(S(N)(=O)=O)cc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000367429530 438207890 /nfs/dbraw/zinc/20/78/90/438207890.db2.gz JBPSRZATHWLQRW-CYBMUJFWSA-N 1 2 336.417 0.117 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000375697485 438260734 /nfs/dbraw/zinc/26/07/34/438260734.db2.gz NLVBRCUBJPDLPM-KBPBESRZSA-N 1 2 330.454 0.119 20 30 ECEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000375769817 438263270 /nfs/dbraw/zinc/26/32/70/438263270.db2.gz RMEIWKPIWAEDMZ-ZDUSSCGKSA-N 1 2 333.310 0.976 20 30 ECEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000375769817 438263273 /nfs/dbraw/zinc/26/32/73/438263273.db2.gz RMEIWKPIWAEDMZ-ZDUSSCGKSA-N 1 2 333.310 0.976 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCc2nn(C(C)C)c(=O)cc2C1 ZINC000375879617 438263711 /nfs/dbraw/zinc/26/37/11/438263711.db2.gz INMVDLWICFAPPK-LBPRGKRZSA-N 1 2 347.419 0.583 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCc2nn(C(C)C)c(=O)cc2C1 ZINC000375879617 438263720 /nfs/dbraw/zinc/26/37/20/438263720.db2.gz INMVDLWICFAPPK-LBPRGKRZSA-N 1 2 347.419 0.583 20 30 ECEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000433903375 438269469 /nfs/dbraw/zinc/26/94/69/438269469.db2.gz IIRSLSDDZPWPHC-NSHDSACASA-N 1 2 334.351 0.473 20 30 ECEDLO C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000433903375 438269473 /nfs/dbraw/zinc/26/94/73/438269473.db2.gz IIRSLSDDZPWPHC-NSHDSACASA-N 1 2 334.351 0.473 20 30 ECEDLO C=CCN(CC)C(=O)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000367991127 438276223 /nfs/dbraw/zinc/27/62/23/438276223.db2.gz UHSFFTDGFGLMQM-OAHLLOKOSA-N 1 2 338.452 0.527 20 30 ECEDLO CNC(=O)C[N@@H+]1CCCN(S(=O)(=O)CCC(C)(C)C#N)CC1 ZINC000377900604 438330986 /nfs/dbraw/zinc/33/09/86/438330986.db2.gz QJSLTJFDLKKVQL-UHFFFAOYSA-N 1 2 330.454 0.010 20 30 ECEDLO CNC(=O)C[N@H+]1CCCN(S(=O)(=O)CCC(C)(C)C#N)CC1 ZINC000377900604 438331002 /nfs/dbraw/zinc/33/10/02/438331002.db2.gz QJSLTJFDLKKVQL-UHFFFAOYSA-N 1 2 330.454 0.010 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000377208476 438303559 /nfs/dbraw/zinc/30/35/59/438303559.db2.gz RVFPROLFIREWEJ-KBPBESRZSA-N 1 2 347.481 0.050 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000377208476 438303563 /nfs/dbraw/zinc/30/35/63/438303563.db2.gz RVFPROLFIREWEJ-KBPBESRZSA-N 1 2 347.481 0.050 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(N(C)C)nc2)CC1 ZINC000377544810 438311767 /nfs/dbraw/zinc/31/17/67/438311767.db2.gz AEXMKTMZJMAGTN-UHFFFAOYSA-N 1 2 343.431 0.045 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(N(C)C)nc2)CC1 ZINC000377544810 438311772 /nfs/dbraw/zinc/31/17/72/438311772.db2.gz AEXMKTMZJMAGTN-UHFFFAOYSA-N 1 2 343.431 0.045 20 30 ECEDLO N#CCCCS(=O)(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000369178340 438431572 /nfs/dbraw/zinc/43/15/72/438431572.db2.gz ZZMPCSXQMFPYRR-CYBMUJFWSA-N 1 2 333.479 0.417 20 30 ECEDLO CC1(C)C[N@H+](CCNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCO1 ZINC000369218400 438437982 /nfs/dbraw/zinc/43/79/82/438437982.db2.gz IDCGSCWGULFHPI-OAHLLOKOSA-N 1 2 335.452 0.479 20 30 ECEDLO CC1(C)C[N@@H+](CCNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCO1 ZINC000369218400 438437986 /nfs/dbraw/zinc/43/79/86/438437986.db2.gz IDCGSCWGULFHPI-OAHLLOKOSA-N 1 2 335.452 0.479 20 30 ECEDLO C=CCOC[C@H](NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)C(=O)OC ZINC000435948925 438395432 /nfs/dbraw/zinc/39/54/32/438395432.db2.gz JYJADCNMESRNOU-GJZGRUSLSA-N 1 2 340.420 0.348 20 30 ECEDLO C=CCOC[C@H](NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1)C(=O)OC ZINC000435948925 438395435 /nfs/dbraw/zinc/39/54/35/438395435.db2.gz JYJADCNMESRNOU-GJZGRUSLSA-N 1 2 340.420 0.348 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000368915283 438399063 /nfs/dbraw/zinc/39/90/63/438399063.db2.gz ZOYMBUSPSKFNQP-CYBMUJFWSA-N 1 2 348.403 0.828 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000368915283 438399066 /nfs/dbraw/zinc/39/90/66/438399066.db2.gz ZOYMBUSPSKFNQP-CYBMUJFWSA-N 1 2 348.403 0.828 20 30 ECEDLO N#Cc1ccc(N[C@H]2CCCN(CC[NH+]3CCOCC3)C2=O)nc1 ZINC000378567097 438402936 /nfs/dbraw/zinc/40/29/36/438402936.db2.gz HWEODEHMJLBTDD-HNNXBMFYSA-N 1 2 329.404 0.688 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(C(=O)OC)c(OC)n2)CC1 ZINC000359325664 438411670 /nfs/dbraw/zinc/41/16/70/438411670.db2.gz BVMMWRMODUZYNS-UHFFFAOYSA-N 1 2 348.403 0.301 20 30 ECEDLO N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000359683841 438477714 /nfs/dbraw/zinc/47/77/14/438477714.db2.gz RBLMDOJAKKMQFP-UHFFFAOYSA-N 1 2 333.373 0.532 20 30 ECEDLO N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000359683841 438477718 /nfs/dbraw/zinc/47/77/18/438477718.db2.gz RBLMDOJAKKMQFP-UHFFFAOYSA-N 1 2 333.373 0.532 20 30 ECEDLO C=C(C)C[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)Cc1ccc(CO)o1 ZINC000352812892 438480571 /nfs/dbraw/zinc/48/05/71/438480571.db2.gz ALYIHIQIHSWBPS-CYBMUJFWSA-N 1 2 337.420 0.743 20 30 ECEDLO C=C(C)C[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)Cc1ccc(CO)o1 ZINC000352812892 438480574 /nfs/dbraw/zinc/48/05/74/438480574.db2.gz ALYIHIQIHSWBPS-CYBMUJFWSA-N 1 2 337.420 0.743 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000369287321 438447594 /nfs/dbraw/zinc/44/75/94/438447594.db2.gz GHDQFVJBAHXFFY-STQMWFEESA-N 1 2 330.454 0.008 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000369287321 438447600 /nfs/dbraw/zinc/44/76/00/438447600.db2.gz GHDQFVJBAHXFFY-STQMWFEESA-N 1 2 330.454 0.008 20 30 ECEDLO CO[C@]1(CO)CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000401820390 438461357 /nfs/dbraw/zinc/46/13/57/438461357.db2.gz ZZBBZTSFGWQNBZ-MRXNPFEDSA-N 1 2 338.429 0.805 20 30 ECEDLO CO[C@]1(CO)CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000401820390 438461361 /nfs/dbraw/zinc/46/13/61/438461361.db2.gz ZZBBZTSFGWQNBZ-MRXNPFEDSA-N 1 2 338.429 0.805 20 30 ECEDLO CN(CC(C)(C)C#N)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000353299434 438504399 /nfs/dbraw/zinc/50/43/99/438504399.db2.gz ZOPHEDVWDVJWPS-CQSZACIVSA-N 1 2 336.436 0.175 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)C[C@@H]1C ZINC000408406923 438568283 /nfs/dbraw/zinc/56/82/83/438568283.db2.gz VRRIICANDKTBGF-QWRGUYRKSA-N 1 2 329.447 0.695 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)C[C@@H]1C ZINC000408406923 438568286 /nfs/dbraw/zinc/56/82/86/438568286.db2.gz VRRIICANDKTBGF-QWRGUYRKSA-N 1 2 329.447 0.695 20 30 ECEDLO N#CC1CCC(CNC(=O)N(CCO)CC[NH+]2CCOCC2)CC1 ZINC000442731384 438620835 /nfs/dbraw/zinc/62/08/35/438620835.db2.gz SXRSTENDGDBDFK-UHFFFAOYSA-N 1 2 338.452 0.652 20 30 ECEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000444716653 438664002 /nfs/dbraw/zinc/66/40/02/438664002.db2.gz QAVQRUWZNMYNDC-IYBDPMFKSA-N 1 2 333.388 0.369 20 30 ECEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000444716653 438664005 /nfs/dbraw/zinc/66/40/05/438664005.db2.gz QAVQRUWZNMYNDC-IYBDPMFKSA-N 1 2 333.388 0.369 20 30 ECEDLO N#Cc1cc(NC[C@@H]2C[NH+]3CCN2CC3)nc2ccc([N+](=O)[O-])cc12 ZINC000446872027 438672153 /nfs/dbraw/zinc/67/21/53/438672153.db2.gz JOJCZWWQNSDZSC-CQSZACIVSA-N 1 2 338.371 1.426 20 30 ECEDLO N#Cc1cc(NC[C@@H]2CN3CC[NH+]2CC3)nc2ccc([N+](=O)[O-])cc12 ZINC000446872027 438672155 /nfs/dbraw/zinc/67/21/55/438672155.db2.gz JOJCZWWQNSDZSC-CQSZACIVSA-N 1 2 338.371 1.426 20 30 ECEDLO C=CCCCNC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000448382127 438682370 /nfs/dbraw/zinc/68/23/70/438682370.db2.gz MNRVNLRZACMGTF-OAHLLOKOSA-N 1 2 338.452 0.527 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@@H]1CS(C)(=O)=O ZINC000451663719 438705633 /nfs/dbraw/zinc/70/56/33/438705633.db2.gz XJYQPWYIYPIMBQ-UONOGXRCSA-N 1 2 329.466 0.894 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCC[C@@H]1CS(C)(=O)=O ZINC000451663719 438705634 /nfs/dbraw/zinc/70/56/34/438705634.db2.gz XJYQPWYIYPIMBQ-UONOGXRCSA-N 1 2 329.466 0.894 20 30 ECEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000494735124 438707535 /nfs/dbraw/zinc/70/75/35/438707535.db2.gz JODMPDQEBQTZHV-KBPBESRZSA-N 1 2 336.417 0.098 20 30 ECEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000494735124 438707538 /nfs/dbraw/zinc/70/75/38/438707538.db2.gz JODMPDQEBQTZHV-KBPBESRZSA-N 1 2 336.417 0.098 20 30 ECEDLO C=CCOC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)C(=O)OC ZINC000576682716 438794053 /nfs/dbraw/zinc/79/40/53/438794053.db2.gz ZESSKSBQKVNWOF-LBPRGKRZSA-N 1 2 331.332 0.136 20 30 ECEDLO Cc1nn(C)c(N2CC[NH+](CCN3CCO[C@@H](C)C3)CC2)c1C#N ZINC000558617149 438815310 /nfs/dbraw/zinc/81/53/10/438815310.db2.gz DVXPGKMTCITPQF-AWEZNQCLSA-N 1 2 332.452 0.443 20 30 ECEDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(C)c(C#N)cn2)C[C@@H]1C ZINC000457702315 438819982 /nfs/dbraw/zinc/81/99/82/438819982.db2.gz VVKVBBPNQOMOKD-ZDUSSCGKSA-N 1 2 330.388 0.971 20 30 ECEDLO COC(=O)CC[N@H+]1CCN(C(=O)c2cc(C)c(C#N)cn2)C[C@@H]1C ZINC000457702315 438819987 /nfs/dbraw/zinc/81/99/87/438819987.db2.gz VVKVBBPNQOMOKD-ZDUSSCGKSA-N 1 2 330.388 0.971 20 30 ECEDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(C)c(C#N)cn2)C[C@H]1C ZINC000457702313 438821868 /nfs/dbraw/zinc/82/18/68/438821868.db2.gz VVKVBBPNQOMOKD-CYBMUJFWSA-N 1 2 330.388 0.971 20 30 ECEDLO COC(=O)CC[N@H+]1CCN(C(=O)c2cc(C)c(C#N)cn2)C[C@H]1C ZINC000457702313 438821872 /nfs/dbraw/zinc/82/18/72/438821872.db2.gz VVKVBBPNQOMOKD-CYBMUJFWSA-N 1 2 330.388 0.971 20 30 ECEDLO CN(c1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)cc1)S(C)(=O)=O ZINC000577377875 438837395 /nfs/dbraw/zinc/83/73/95/438837395.db2.gz CVSILKRQCQNPLG-AWEZNQCLSA-N 1 2 341.433 0.668 20 30 ECEDLO CN(c1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)cc1)S(C)(=O)=O ZINC000577377875 438837399 /nfs/dbraw/zinc/83/73/99/438837399.db2.gz CVSILKRQCQNPLG-AWEZNQCLSA-N 1 2 341.433 0.668 20 30 ECEDLO CC(C)(CC#N)CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000457994215 438847404 /nfs/dbraw/zinc/84/74/04/438847404.db2.gz XNVWPMOPVXPZEP-CQSZACIVSA-N 1 2 336.436 0.223 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@@](C)(C#N)C3)CC2)o1 ZINC000595840254 438867271 /nfs/dbraw/zinc/86/72/71/438867271.db2.gz MMNJMHOSLAJMRA-KRWDZBQOSA-N 1 2 342.403 0.739 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@@](C)(C#N)C3)CC2)o1 ZINC000595840254 438867278 /nfs/dbraw/zinc/86/72/78/438867278.db2.gz MMNJMHOSLAJMRA-KRWDZBQOSA-N 1 2 342.403 0.739 20 30 ECEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]1(C#N)CCSC1 ZINC000589308966 438868142 /nfs/dbraw/zinc/86/81/42/438868142.db2.gz BDDSRCUCWNTNOF-BBRMVZONSA-N 1 2 349.460 0.999 20 30 ECEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]1(C#N)CCSC1 ZINC000589308966 438868147 /nfs/dbraw/zinc/86/81/47/438868147.db2.gz BDDSRCUCWNTNOF-BBRMVZONSA-N 1 2 349.460 0.999 20 30 ECEDLO Cn1cc(-n2cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)ccc2=O)cn1 ZINC000564090321 438871054 /nfs/dbraw/zinc/87/10/54/438871054.db2.gz NSRISXOSICAOJO-MRXNPFEDSA-N 1 2 328.376 0.145 20 30 ECEDLO CCOc1ccc(N2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)nn1 ZINC000595890502 438879841 /nfs/dbraw/zinc/87/98/41/438879841.db2.gz HPWCOIURLDSKRX-CQSZACIVSA-N 1 2 346.435 0.758 20 30 ECEDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000601413019 438883078 /nfs/dbraw/zinc/88/30/78/438883078.db2.gz YNMLQZOEZQAHGN-ZDUSSCGKSA-N 1 2 343.836 0.962 20 30 ECEDLO C[N@H+]1CCO[C@H](CS(=O)(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000601413019 438883081 /nfs/dbraw/zinc/88/30/81/438883081.db2.gz YNMLQZOEZQAHGN-ZDUSSCGKSA-N 1 2 343.836 0.962 20 30 ECEDLO CC1(C#N)CN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000516082877 438891084 /nfs/dbraw/zinc/89/10/84/438891084.db2.gz GKWMPEZCUYAXKH-UHFFFAOYSA-N 1 2 342.443 0.980 20 30 ECEDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCc3c(CC#N)cccc3C2)C1 ZINC000601476130 438911035 /nfs/dbraw/zinc/91/10/35/438911035.db2.gz ZYBODYVFEOTRBT-INIZCTEOSA-N 1 2 349.456 0.771 20 30 ECEDLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCc3c(CC#N)cccc3C2)C1 ZINC000601476130 438911038 /nfs/dbraw/zinc/91/10/38/438911038.db2.gz ZYBODYVFEOTRBT-INIZCTEOSA-N 1 2 349.456 0.771 20 30 ECEDLO C=CCN1CC[C@H](N(C)c2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)C1=O ZINC000516631147 438919301 /nfs/dbraw/zinc/91/93/01/438919301.db2.gz FXXYJWUZTNAHMD-ZNMIVQPWSA-N 1 2 345.447 0.907 20 30 ECEDLO C=CCN1CC[C@H](N(C)c2cc(N3CC[C@@H]([C@H](C)O)C3)nc[nH+]2)C1=O ZINC000516631147 438919303 /nfs/dbraw/zinc/91/93/03/438919303.db2.gz FXXYJWUZTNAHMD-ZNMIVQPWSA-N 1 2 345.447 0.907 20 30 ECEDLO CN(CCC#N)S(=O)(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000601524116 438926071 /nfs/dbraw/zinc/92/60/71/438926071.db2.gz XLPWGYYBWAEBRQ-UHFFFAOYSA-N 1 2 338.433 0.600 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)NCC2(CC#N)CC2)C1=O ZINC000516903838 438934670 /nfs/dbraw/zinc/93/46/70/438934670.db2.gz VZBZJNZOWNITPY-ZDUSSCGKSA-N 1 2 344.419 0.904 20 30 ECEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)[C@@H](CO)C1 ZINC000601469380 438908861 /nfs/dbraw/zinc/90/88/61/438908861.db2.gz PHOFBQHVHOOHPM-GFCCVEGCSA-N 1 2 329.809 0.509 20 30 ECEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)[C@@H](CO)C1 ZINC000601469380 438908865 /nfs/dbraw/zinc/90/88/65/438908865.db2.gz PHOFBQHVHOOHPM-GFCCVEGCSA-N 1 2 329.809 0.509 20 30 ECEDLO N#Cc1cncnc1NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000596516120 438971570 /nfs/dbraw/zinc/97/15/70/438971570.db2.gz QZTZSMSVLZUDLV-GOSISDBHSA-N 1 2 339.399 0.446 20 30 ECEDLO N#Cc1cncnc1NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000596516120 438971574 /nfs/dbraw/zinc/97/15/74/438971574.db2.gz QZTZSMSVLZUDLV-GOSISDBHSA-N 1 2 339.399 0.446 20 30 ECEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000602024213 439000591 /nfs/dbraw/zinc/00/05/91/439000591.db2.gz OIFBBHFLYYXMOU-LLVKDONJSA-N 1 2 334.351 0.473 20 30 ECEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000602024213 439000594 /nfs/dbraw/zinc/00/05/94/439000594.db2.gz OIFBBHFLYYXMOU-LLVKDONJSA-N 1 2 334.351 0.473 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCC1(CC#N)CC1 ZINC000602305655 439061894 /nfs/dbraw/zinc/06/18/94/439061894.db2.gz GZKLTMVLYGIIIW-QGZVFWFLSA-N 1 2 336.436 0.595 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCC1(CC#N)CC1 ZINC000602305655 439061898 /nfs/dbraw/zinc/06/18/98/439061898.db2.gz GZKLTMVLYGIIIW-QGZVFWFLSA-N 1 2 336.436 0.595 20 30 ECEDLO C[C@@H](C(=O)N1CCc2c(CC#N)cccc2C1)N1CC[NH2+]CC1=O ZINC000602573393 439113693 /nfs/dbraw/zinc/11/36/93/439113693.db2.gz IDLHSDKCYRRBEJ-ZDUSSCGKSA-N 1 2 326.400 0.458 20 30 ECEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000592149372 439166243 /nfs/dbraw/zinc/16/62/43/439166243.db2.gz NWCOYTGKWBAZBC-INIZCTEOSA-N 1 2 330.344 0.834 20 30 ECEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000592149372 439166247 /nfs/dbraw/zinc/16/62/47/439166247.db2.gz NWCOYTGKWBAZBC-INIZCTEOSA-N 1 2 330.344 0.834 20 30 ECEDLO CN1C(=O)c2ccc(NC(=O)C[N@@H+]3CC[C@](O)(CC#N)C3)cc2C1=O ZINC000592148807 439166392 /nfs/dbraw/zinc/16/63/92/439166392.db2.gz CELDMSDVHPBQHA-QGZVFWFLSA-N 1 2 342.355 0.201 20 30 ECEDLO CN1C(=O)c2ccc(NC(=O)C[N@H+]3CC[C@](O)(CC#N)C3)cc2C1=O ZINC000592148807 439166397 /nfs/dbraw/zinc/16/63/97/439166397.db2.gz CELDMSDVHPBQHA-QGZVFWFLSA-N 1 2 342.355 0.201 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)nn1 ZINC000603260599 439222401 /nfs/dbraw/zinc/22/24/01/439222401.db2.gz ZVHQSUGDKYBDLH-CQSZACIVSA-N 1 2 347.419 0.506 20 30 ECEDLO C[N@H+](CC(=O)N1CCN(c2cnccn2)CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602979931 439175990 /nfs/dbraw/zinc/17/59/90/439175990.db2.gz JFOFKDMIWUSBRE-HUUCEWRRSA-N 1 2 328.420 0.749 20 30 ECEDLO C[N@@H+](CC(=O)N1CCN(c2cnccn2)CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602979931 439175995 /nfs/dbraw/zinc/17/59/95/439175995.db2.gz JFOFKDMIWUSBRE-HUUCEWRRSA-N 1 2 328.420 0.749 20 30 ECEDLO C=CCNC(=O)NC(=O)CN1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000603006776 439182829 /nfs/dbraw/zinc/18/28/29/439182829.db2.gz LNRJDJAWTZEEPE-UHFFFAOYSA-N 1 2 332.404 0.522 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ncnn1CC(F)F ZINC000488439138 439188387 /nfs/dbraw/zinc/18/83/87/439188387.db2.gz OFWDLNLBSMUSGI-UHFFFAOYSA-N 1 2 328.367 0.591 20 30 ECEDLO Cc1cn2cc(NC(=O)C(=O)N3CC[C@](O)(CC#N)C3)ccc2[nH+]1 ZINC000592301865 439197156 /nfs/dbraw/zinc/19/71/56/439197156.db2.gz OHBOVMKUDGHIMW-MRXNPFEDSA-N 1 2 327.344 0.458 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)Cn1cc(C[NH+]2CCSCC2)nn1 ZINC000603170348 439201308 /nfs/dbraw/zinc/20/13/08/439201308.db2.gz BCUQPQXOYKPIIS-OAHLLOKOSA-N 1 2 336.465 0.881 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)N2CCCC[C@H]2C(=O)OCC)nn1 ZINC000603179066 439204185 /nfs/dbraw/zinc/20/41/85/439204185.db2.gz BKXCFGUDLCFVAD-HNNXBMFYSA-N 1 2 347.419 0.335 20 30 ECEDLO C[C@H]1C[N@H+](CCNC(=O)CNC(=O)c2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000597993217 439210170 /nfs/dbraw/zinc/21/01/70/439210170.db2.gz DOVYDCZOZPZQSQ-KBPBESRZSA-N 1 2 344.415 0.513 20 30 ECEDLO C[C@H]1C[N@@H+](CCNC(=O)CNC(=O)c2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000597993217 439210174 /nfs/dbraw/zinc/21/01/74/439210174.db2.gz DOVYDCZOZPZQSQ-KBPBESRZSA-N 1 2 344.415 0.513 20 30 ECEDLO Cc1cc(C#N)cnc1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000568732939 439271697 /nfs/dbraw/zinc/27/16/97/439271697.db2.gz NOQGKCVSRIIFBJ-UHFFFAOYSA-N 1 2 340.387 1.043 20 30 ECEDLO CN(C)C(=O)CN1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528346112 439328338 /nfs/dbraw/zinc/32/83/38/439328338.db2.gz OUZPJDYRDIYCKY-MRXNPFEDSA-N 1 2 346.431 0.004 20 30 ECEDLO CN(C)C(=O)C[NH+]1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528346112 439328347 /nfs/dbraw/zinc/32/83/47/439328347.db2.gz OUZPJDYRDIYCKY-MRXNPFEDSA-N 1 2 346.431 0.004 20 30 ECEDLO CNC(=O)N1CC[NH+](CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000528421364 439336176 /nfs/dbraw/zinc/33/61/76/439336176.db2.gz FSZGXYRFEGTIHW-UHFFFAOYSA-N 1 2 340.383 0.243 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(-c3nnco3)cc2)CC1 ZINC000490800974 439300268 /nfs/dbraw/zinc/30/02/68/439300268.db2.gz ZASIXIJSWNBNSC-UHFFFAOYSA-N 1 2 326.356 0.893 20 30 ECEDLO C#CC[N@@H+](CC)CC(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O ZINC000490839609 439302495 /nfs/dbraw/zinc/30/24/95/439302495.db2.gz IWNHZWSOZFUAFP-GOSISDBHSA-N 1 2 342.399 0.830 20 30 ECEDLO C#CC[N@H+](CC)CC(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O ZINC000490839609 439302501 /nfs/dbraw/zinc/30/25/01/439302501.db2.gz IWNHZWSOZFUAFP-GOSISDBHSA-N 1 2 342.399 0.830 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC000490865651 439304607 /nfs/dbraw/zinc/30/46/07/439304607.db2.gz FVRIMQDISDHSIE-ULQDDVLXSA-N 1 2 348.491 0.437 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C)nc2OC)CC1 ZINC000490914494 439309366 /nfs/dbraw/zinc/30/93/66/439309366.db2.gz JBFDJNIGRWUVNN-UHFFFAOYSA-N 1 2 344.415 0.296 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C)nc2OC)CC1 ZINC000490914494 439309370 /nfs/dbraw/zinc/30/93/70/439309370.db2.gz JBFDJNIGRWUVNN-UHFFFAOYSA-N 1 2 344.415 0.296 20 30 ECEDLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C#N)s1 ZINC000582498047 439343274 /nfs/dbraw/zinc/34/32/74/439343274.db2.gz FSAQKJBNKSWKHB-LLVKDONJSA-N 1 2 337.430 0.688 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCC[C@H]2OC)CC1 ZINC000491166595 439343395 /nfs/dbraw/zinc/34/33/95/439343395.db2.gz SMGDQSUBNUSQHJ-JKSUJKDBSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCC[C@H]2OC)CC1 ZINC000491166595 439343404 /nfs/dbraw/zinc/34/34/04/439343404.db2.gz SMGDQSUBNUSQHJ-JKSUJKDBSA-N 1 2 335.448 0.475 20 30 ECEDLO CC1(C)C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@H](CO)O1 ZINC000528528651 439346931 /nfs/dbraw/zinc/34/69/31/439346931.db2.gz SXMPGFIAUKJSFF-CQSZACIVSA-N 1 2 342.395 0.758 20 30 ECEDLO CC1(C)C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@H](CO)O1 ZINC000528528651 439346934 /nfs/dbraw/zinc/34/69/34/439346934.db2.gz SXMPGFIAUKJSFF-CQSZACIVSA-N 1 2 342.395 0.758 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593155569 439350267 /nfs/dbraw/zinc/35/02/67/439350267.db2.gz DTEVLUVOKYOJDP-INIZCTEOSA-N 1 2 347.375 0.675 20 30 ECEDLO C#CCN(C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCCC1 ZINC000491210104 439350508 /nfs/dbraw/zinc/35/05/08/439350508.db2.gz PZUQCMKWZLIFIN-UHFFFAOYSA-N 1 2 335.448 0.618 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@H](C)c2ccc(C(=O)OC)o2)CC1 ZINC000491210739 439350943 /nfs/dbraw/zinc/35/09/43/439350943.db2.gz YCXAKKITNFOMRJ-CYBMUJFWSA-N 1 2 333.388 0.494 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3C[C@H](C(N)=O)C3)CC2)cc1 ZINC000599162411 439372012 /nfs/dbraw/zinc/37/20/12/439372012.db2.gz FSUDEAFRVQLROW-WKILWMFISA-N 1 2 341.415 0.649 20 30 ECEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000599194071 439377141 /nfs/dbraw/zinc/37/71/41/439377141.db2.gz ORJQESLGZPKWTM-GJZGRUSLSA-N 1 2 345.403 0.447 20 30 ECEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000599194071 439377144 /nfs/dbraw/zinc/37/71/44/439377144.db2.gz ORJQESLGZPKWTM-GJZGRUSLSA-N 1 2 345.403 0.447 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@@H](C)C(=O)NCC2CCCCC2)CC1 ZINC000491497305 439394773 /nfs/dbraw/zinc/39/47/73/439394773.db2.gz XAFCGZRYNNPMBP-INIZCTEOSA-N 1 2 348.491 0.438 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2ccnc2[C@H](O)c2cccnc2)CC1 ZINC000491554137 439406767 /nfs/dbraw/zinc/40/67/67/439406767.db2.gz GPTJAXJFZDCVGD-QGZVFWFLSA-N 1 2 339.399 0.137 20 30 ECEDLO N#CCCN(CCN1CCOCC1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593444187 439383633 /nfs/dbraw/zinc/38/36/33/439383633.db2.gz XEULRNYAAGJFIA-UHFFFAOYSA-N 1 2 345.447 0.836 20 30 ECEDLO CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)o1 ZINC000570335832 439410361 /nfs/dbraw/zinc/41/03/61/439410361.db2.gz HXVOPNZIHYGMEO-ZDUSSCGKSA-N 1 2 328.394 0.104 20 30 ECEDLO C#CCN(C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000491622319 439412388 /nfs/dbraw/zinc/41/23/88/439412388.db2.gz IAMKGAVVOXDXED-XJKSGUPXSA-N 1 2 344.452 0.848 20 30 ECEDLO C#CCN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000491622319 439412393 /nfs/dbraw/zinc/41/23/93/439412393.db2.gz IAMKGAVVOXDXED-XJKSGUPXSA-N 1 2 344.452 0.848 20 30 ECEDLO C#C[C@H](CCC)NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000491630853 439414122 /nfs/dbraw/zinc/41/41/22/439414122.db2.gz OHEQMABTJBFRHD-CQSZACIVSA-N 1 2 347.419 0.072 20 30 ECEDLO C#C[C@H]1COCCN1C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000491634612 439417631 /nfs/dbraw/zinc/41/76/31/439417631.db2.gz UGPVJAVRQFDXSI-LSDHHAIUSA-N 1 2 332.404 0.344 20 30 ECEDLO C#C[C@H]1COCCN1C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000491634612 439417636 /nfs/dbraw/zinc/41/76/36/439417636.db2.gz UGPVJAVRQFDXSI-LSDHHAIUSA-N 1 2 332.404 0.344 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)c1ccsc1C#N ZINC000593610227 439420842 /nfs/dbraw/zinc/42/08/42/439420842.db2.gz WHTXQSGRWDBPPW-GHMZBOCLSA-N 1 2 329.447 0.695 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)c1ccsc1C#N ZINC000593610227 439420845 /nfs/dbraw/zinc/42/08/45/439420845.db2.gz WHTXQSGRWDBPPW-GHMZBOCLSA-N 1 2 329.447 0.695 20 30 ECEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC ZINC000491664802 439421472 /nfs/dbraw/zinc/42/14/72/439421472.db2.gz RBPXMUZYYUOVQZ-JTQLQIEISA-N 1 2 325.390 0.235 20 30 ECEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC ZINC000491664802 439421479 /nfs/dbraw/zinc/42/14/79/439421479.db2.gz RBPXMUZYYUOVQZ-JTQLQIEISA-N 1 2 325.390 0.235 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2ccc3ccc(F)cc3c2=O)CC1 ZINC000491723217 439435456 /nfs/dbraw/zinc/43/54/56/439435456.db2.gz ASRSWROHLIJNIX-UHFFFAOYSA-N 1 2 327.359 0.918 20 30 ECEDLO COCC[N@@H+]1CCN(S(=O)(=O)c2cncc(C#N)c2)C(C)(C)C1 ZINC000593658852 439440088 /nfs/dbraw/zinc/44/00/88/439440088.db2.gz WTWAXJLQXYOCGC-UHFFFAOYSA-N 1 2 338.433 0.685 20 30 ECEDLO COCC[N@H+]1CCN(S(=O)(=O)c2cncc(C#N)c2)C(C)(C)C1 ZINC000593658852 439440090 /nfs/dbraw/zinc/44/00/90/439440090.db2.gz WTWAXJLQXYOCGC-UHFFFAOYSA-N 1 2 338.433 0.685 20 30 ECEDLO C#C[C@H](C)N(C)c1nc(N(C)[C@@H](C)C#C)[nH+]c(N2CCOCC2)n1 ZINC000491737383 439440500 /nfs/dbraw/zinc/44/05/00/439440500.db2.gz BQKFGMMAXAATKA-KBPBESRZSA-N 1 2 328.420 0.624 20 30 ECEDLO C#C[C@H](C)N(C)c1nc(N2CCOCC2)nc(N(C)[C@@H](C)C#C)[nH+]1 ZINC000491737383 439440506 /nfs/dbraw/zinc/44/05/06/439440506.db2.gz BQKFGMMAXAATKA-KBPBESRZSA-N 1 2 328.420 0.624 20 30 ECEDLO N#Cc1c[nH]c(=O)n(Cc2ccc(C[NH+]3CCOCC3)cc2)c1=O ZINC000570842825 439456537 /nfs/dbraw/zinc/45/65/37/439456537.db2.gz SVYUTQHDJAFGIY-UHFFFAOYSA-N 1 2 326.356 0.289 20 30 ECEDLO CN(CCC#N)S(=O)(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000532422172 439519150 /nfs/dbraw/zinc/51/91/50/439519150.db2.gz GNGRQCBJVBNDEU-UONOGXRCSA-N 1 2 330.454 0.310 20 30 ECEDLO Cc1cc(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)ncc1C#N ZINC000594287504 439536152 /nfs/dbraw/zinc/53/61/52/439536152.db2.gz FJNXXEBJCNVCME-OLZOCXBDSA-N 1 2 345.403 0.426 20 30 ECEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(CCS(C)(=O)=O)cc1 ZINC000571874544 439537420 /nfs/dbraw/zinc/53/74/20/439537420.db2.gz KOCNDIUMPOMAIL-MRXNPFEDSA-N 1 2 339.461 0.892 20 30 ECEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(CCS(C)(=O)=O)cc1 ZINC000571874544 439537426 /nfs/dbraw/zinc/53/74/26/439537426.db2.gz KOCNDIUMPOMAIL-MRXNPFEDSA-N 1 2 339.461 0.892 20 30 ECEDLO N#Cc1cncc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000572001423 439550048 /nfs/dbraw/zinc/55/00/48/439550048.db2.gz GNNGXEGROBAQBI-OAHLLOKOSA-N 1 2 329.385 0.683 20 30 ECEDLO N#Cc1ccc(CNC(=O)CN2CCC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000572012253 439550087 /nfs/dbraw/zinc/55/00/87/439550087.db2.gz MSVGVODRMJCGRK-GOSISDBHSA-N 1 2 342.443 0.971 20 30 ECEDLO C=CCNS(=O)(=O)c1cccc(C(=O)NCCc2c[nH+]cn2C)c1 ZINC000543410203 439562521 /nfs/dbraw/zinc/56/25/21/439562521.db2.gz ZUHVSWWHXVFECA-UHFFFAOYSA-N 1 2 348.428 0.857 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471498 439566049 /nfs/dbraw/zinc/56/60/49/439566049.db2.gz FQSSKSNXQCVFLP-ZQDZILKHSA-N 1 2 346.497 0.800 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471498 439566051 /nfs/dbraw/zinc/56/60/51/439566051.db2.gz FQSSKSNXQCVFLP-ZQDZILKHSA-N 1 2 346.497 0.800 20 30 ECEDLO N#CCN1CCC(NC(=O)N2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000609340400 439567680 /nfs/dbraw/zinc/56/76/80/439567680.db2.gz SHJLEJKHNALHTH-UHFFFAOYSA-N 1 2 342.447 0.897 20 30 ECEDLO CC(C)[C@@H](C#N)N1CC[NH+](CCn2nc3ccccn3c2=O)CC1 ZINC000609486457 439571975 /nfs/dbraw/zinc/57/19/75/439571975.db2.gz KOBKHRJWWUJKMN-OAHLLOKOSA-N 1 2 328.420 0.662 20 30 ECEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000609539303 439576424 /nfs/dbraw/zinc/57/64/24/439576424.db2.gz XGHAEMCCJQQDCO-IAGOWNOFSA-N 1 2 349.479 0.279 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000609710758 439584724 /nfs/dbraw/zinc/58/47/24/439584724.db2.gz UPBVQEGGFCEESE-YCPHGPKFSA-N 1 2 334.372 0.101 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000609710758 439584728 /nfs/dbraw/zinc/58/47/28/439584728.db2.gz UPBVQEGGFCEESE-YCPHGPKFSA-N 1 2 334.372 0.101 20 30 ECEDLO N#CC1(c2ccccn2)CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC000584731860 439612057 /nfs/dbraw/zinc/61/20/57/439612057.db2.gz VFNHSHQUSSCDMS-UHFFFAOYSA-N 1 2 334.445 0.974 20 30 ECEDLO N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595150308 439662234 /nfs/dbraw/zinc/66/22/34/439662234.db2.gz FCLZVTBPDAMAHC-CQSZACIVSA-N 1 2 346.362 0.569 20 30 ECEDLO N#CCN1CCC(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000611072689 439670522 /nfs/dbraw/zinc/67/05/22/439670522.db2.gz QVJOGZKQJIHFJP-OAHLLOKOSA-N 1 2 328.420 0.947 20 30 ECEDLO CN(C)c1noc(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)n1 ZINC000574513475 439710059 /nfs/dbraw/zinc/71/00/59/439710059.db2.gz QURVEBLMXVVURI-CYBMUJFWSA-N 1 2 331.376 0.731 20 30 ECEDLO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCN(CCC#N)CC1 ZINC000611174966 439677831 /nfs/dbraw/zinc/67/78/31/439677831.db2.gz QCBJJOITVBKWNV-ZDUSSCGKSA-N 1 2 329.404 0.644 20 30 ECEDLO Cc1nnc(CN2CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)[nH]1 ZINC000611431370 439696418 /nfs/dbraw/zinc/69/64/18/439696418.db2.gz VUOOXVITBMSZIM-GUYCJALGSA-N 1 2 347.467 0.674 20 30 ECEDLO COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000613350243 439755323 /nfs/dbraw/zinc/75/53/23/439755323.db2.gz RYGSRTZDCUCZOI-FZMZJTMJSA-N 1 2 339.417 0.564 20 30 ECEDLO COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000613350243 439755324 /nfs/dbraw/zinc/75/53/24/439755324.db2.gz RYGSRTZDCUCZOI-FZMZJTMJSA-N 1 2 339.417 0.564 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000613751965 439762960 /nfs/dbraw/zinc/76/29/60/439762960.db2.gz SQYGTQBXNYVUCO-JKSUJKDBSA-N 1 2 345.447 0.980 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000613751965 439762961 /nfs/dbraw/zinc/76/29/61/439762961.db2.gz SQYGTQBXNYVUCO-JKSUJKDBSA-N 1 2 345.447 0.980 20 30 ECEDLO CCOC(=O)[C@@](C)(O)C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000613856906 439765085 /nfs/dbraw/zinc/76/50/85/439765085.db2.gz ASSOLBQHJCKSST-KRWDZBQOSA-N 1 2 348.403 0.860 20 30 ECEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000614919268 439790057 /nfs/dbraw/zinc/79/00/57/439790057.db2.gz AXMHAKYPUUADJK-XIRDDKMYSA-N 1 2 348.399 0.491 20 30 ECEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000614919268 439790058 /nfs/dbraw/zinc/79/00/58/439790058.db2.gz AXMHAKYPUUADJK-XIRDDKMYSA-N 1 2 348.399 0.491 20 30 ECEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000658678863 440064112 /nfs/dbraw/zinc/06/41/12/440064112.db2.gz ZRNJGCVRUGNPTP-HZPDHXFCSA-N 1 2 337.464 0.980 20 30 ECEDLO C=CCCCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000636832712 440056848 /nfs/dbraw/zinc/05/68/48/440056848.db2.gz DCTIPMAEGFEFAP-INIZCTEOSA-N 1 2 346.431 0.481 20 30 ECEDLO C=CCCCNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000636832712 440056853 /nfs/dbraw/zinc/05/68/53/440056853.db2.gz DCTIPMAEGFEFAP-INIZCTEOSA-N 1 2 346.431 0.481 20 30 ECEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000658812143 440130566 /nfs/dbraw/zinc/13/05/66/440130566.db2.gz XICBDOYJDCOHHZ-CVEARBPZSA-N 1 2 335.448 0.734 20 30 ECEDLO C=CCCn1cc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)nn1 ZINC000653489819 440195152 /nfs/dbraw/zinc/19/51/52/440195152.db2.gz DULAGHIJRVJMDT-UHFFFAOYSA-N 1 2 333.436 0.925 20 30 ECEDLO C[C@]1(C#N)CCC[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000618753977 440157208 /nfs/dbraw/zinc/15/72/08/440157208.db2.gz LVADHFPCGNFURL-QGZVFWFLSA-N 1 2 328.420 0.751 20 30 ECEDLO C[C@]1(C#N)CCC[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000618753977 440157212 /nfs/dbraw/zinc/15/72/12/440157212.db2.gz LVADHFPCGNFURL-QGZVFWFLSA-N 1 2 328.420 0.751 20 30 ECEDLO C=CCCn1cc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)nn1 ZINC000653671724 440226251 /nfs/dbraw/zinc/22/62/51/440226251.db2.gz SVRSOZOVGTXHHB-UHFFFAOYSA-N 1 2 327.454 0.615 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(S(N)(=O)=O)s2)C1=O ZINC000639132474 440679948 /nfs/dbraw/zinc/67/99/48/440679948.db2.gz ORVOPPPUKFBHBV-NSHDSACASA-N 1 2 329.447 0.614 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(S(N)(=O)=O)s2)C1=O ZINC000639132474 440679952 /nfs/dbraw/zinc/67/99/52/440679952.db2.gz ORVOPPPUKFBHBV-NSHDSACASA-N 1 2 329.447 0.614 20 30 ECEDLO C=CCNC(=O)CN1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC000635157693 440771668 /nfs/dbraw/zinc/77/16/68/440771668.db2.gz SMSBGJBDIWVBBP-INIZCTEOSA-N 1 2 347.463 0.917 20 30 ECEDLO C=C(C)C[C@@H]1NC(=O)N([C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1=O ZINC000630976504 440993234 /nfs/dbraw/zinc/99/32/34/440993234.db2.gz QTUMWKFBCUWRGM-QWHCGFSZSA-N 1 2 345.403 0.798 20 30 ECEDLO C=CCCn1cc(CNc2cnn(CC[NH+]3CCOCC3)c2)nn1 ZINC000657418375 441007476 /nfs/dbraw/zinc/00/74/76/441007476.db2.gz PBUVQQIGNSUBIG-UHFFFAOYSA-N 1 2 331.424 0.995 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)COc2ccc3c(c2)OCO3)nn1 ZINC000641214239 441077303 /nfs/dbraw/zinc/07/73/03/441077303.db2.gz AGUGTCVHOPBBCC-CQSZACIVSA-N 1 2 344.371 0.560 20 30 ECEDLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000188280867 533705118 /nfs/dbraw/zinc/70/51/18/533705118.db2.gz WUWUIZJTVOOWKE-LLVKDONJSA-N 1 2 343.836 0.899 20 30 ECEDLO COC(=O)c1cccc(CN2CC[NH+](C(C)(C)C(N)=O)CC2)c1C#N ZINC000535205530 322078004 /nfs/dbraw/zinc/07/80/04/322078004.db2.gz HNPWJMVXFSDSID-UHFFFAOYSA-N 1 2 344.415 0.726 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)c2ccc(C#N)cn2)C1=O ZINC000541230510 322090079 /nfs/dbraw/zinc/09/00/79/322090079.db2.gz WMPAZKQMZNYCKH-CQSZACIVSA-N 1 2 338.371 0.608 20 30 ECEDLO N#Cc1ccncc1N1CC[NH+]([C@@H]2CC(=O)N(C3CC3)C2=O)CC1 ZINC000579426348 322895922 /nfs/dbraw/zinc/89/59/22/322895922.db2.gz VOIYVOUFXWKUQB-CQSZACIVSA-N 1 2 325.372 0.365 20 30 ECEDLO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000328740070 546004346 /nfs/dbraw/zinc/00/43/46/546004346.db2.gz MXMHYWWFVLJYEX-UONOGXRCSA-N 1 2 347.481 0.868 20 30 ECEDLO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000328740070 546004349 /nfs/dbraw/zinc/00/43/49/546004349.db2.gz MXMHYWWFVLJYEX-UONOGXRCSA-N 1 2 347.481 0.868 20 30 ECEDLO CN1CC[N@H+](C)[C@H](CNC(=O)CNC(=O)c2ccc3c(c2)OCO3)C1 ZINC000329243476 546018019 /nfs/dbraw/zinc/01/80/19/546018019.db2.gz SXLGVSMSJWUUMP-CYBMUJFWSA-N 1 2 348.403 0.922 20 30 ECEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)CNC(=O)c2ccc3c(c2)OCO3)C1 ZINC000329243476 546018023 /nfs/dbraw/zinc/01/80/23/546018023.db2.gz SXLGVSMSJWUUMP-CYBMUJFWSA-N 1 2 348.403 0.922 20 30 ECEDLO C[C@H](NC(=O)C[N@@H+]1CCCN(C(N)=O)CC1)C(=O)N1CCCCC1 ZINC000329422592 546023820 /nfs/dbraw/zinc/02/38/20/546023820.db2.gz FUBLZBPCFKIMHV-ZDUSSCGKSA-N 1 2 339.440 0.844 20 30 ECEDLO C[C@H](NC(=O)C[N@H+]1CCCN(C(N)=O)CC1)C(=O)N1CCCCC1 ZINC000329422592 546023826 /nfs/dbraw/zinc/02/38/26/546023826.db2.gz FUBLZBPCFKIMHV-ZDUSSCGKSA-N 1 2 339.440 0.844 20 30 ECEDLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@@H]1CCCC[C@@H]1O ZINC000329588536 546028893 /nfs/dbraw/zinc/02/88/93/546028893.db2.gz XSBJACRLNDWMGT-KGLIPLIRSA-N 1 2 337.424 0.845 20 30 ECEDLO O=C(Nc1cnn(-c2ncccn2)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000329811847 546034631 /nfs/dbraw/zinc/03/46/31/546034631.db2.gz RTCYUZYXHGASNJ-CQSZACIVSA-N 1 2 343.391 0.614 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CC)CC1 ZINC000338603655 546070656 /nfs/dbraw/zinc/07/06/56/546070656.db2.gz WTIMXACYRGRTKH-AWEZNQCLSA-N 1 2 348.451 0.226 20 30 ECEDLO C[C@@H](CNS(=O)(=O)c1cccc(CC#N)c1)C[NH+]1CCOCC1 ZINC000619485279 546332972 /nfs/dbraw/zinc/33/29/72/546332972.db2.gz ZXXLDEMNGSSDAT-AWEZNQCLSA-N 1 2 337.445 0.999 20 30 ECEDLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2cccc(CC#N)c2)CC1 ZINC000619487756 546333312 /nfs/dbraw/zinc/33/33/12/546333312.db2.gz OXXVZSSXOCGKMH-OAHLLOKOSA-N 1 2 337.445 0.830 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cccc(CC#N)c2)[C@@H](C)C1 ZINC000619497898 546334854 /nfs/dbraw/zinc/33/48/54/546334854.db2.gz MSDIWGDPJQILTJ-KBPBESRZSA-N 1 2 337.445 0.828 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2cccc(CC#N)c2)[C@@H](C)C1 ZINC000619497898 546334856 /nfs/dbraw/zinc/33/48/56/546334856.db2.gz MSDIWGDPJQILTJ-KBPBESRZSA-N 1 2 337.445 0.828 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000619942999 546389115 /nfs/dbraw/zinc/38/91/15/546389115.db2.gz WIIGATGLKSDJDU-OALUTQOASA-N 1 2 348.443 0.693 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000619942999 546389121 /nfs/dbraw/zinc/38/91/21/546389121.db2.gz WIIGATGLKSDJDU-OALUTQOASA-N 1 2 348.443 0.693 20 30 ECEDLO C=CCN1CC[C@@H](N2CCc3[nH+]c[nH]c3[C@H]2c2ccnn2C)C1=O ZINC000625499872 547124419 /nfs/dbraw/zinc/12/44/19/547124419.db2.gz NRKFMOYTLWAABA-GDBMZVCRSA-N 1 2 326.404 0.878 20 30 ECEDLO C=C[C@H](O)C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000667834324 547561214 /nfs/dbraw/zinc/56/12/14/547561214.db2.gz QURYLPPZYWGJEY-HNNXBMFYSA-N 1 2 330.388 0.923 20 30 ECEDLO C=CCn1c([C@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N1CCn2nncc2C1 ZINC000669011054 547807989 /nfs/dbraw/zinc/80/79/89/547807989.db2.gz IOPGFVGCODHODD-GXTWGEPZSA-N 1 2 344.423 0.467 20 30 ECEDLO C=CCn1c([C@H]2C[N@H+](C)C[C@H](C)O2)nnc1N1CCn2nncc2C1 ZINC000669011054 547807992 /nfs/dbraw/zinc/80/79/92/547807992.db2.gz IOPGFVGCODHODD-GXTWGEPZSA-N 1 2 344.423 0.467 20 30 ECEDLO C=CCn1c(CC2CC2)nnc1N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000669814146 547937217 /nfs/dbraw/zinc/93/72/17/547937217.db2.gz LBDXVOJCDNFLQV-UHFFFAOYSA-N 1 2 332.452 0.627 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671399278 548138703 /nfs/dbraw/zinc/13/87/03/548138703.db2.gz WRKWIVGMWOJHNF-UHFFFAOYSA-N 1 2 331.416 0.779 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3conc3CC)C[C@H]2O)cn1 ZINC001078032367 782179963 /nfs/dbraw/zinc/17/99/63/782179963.db2.gz KMGSUPZVGYGIGY-IAGOWNOFSA-N 1 2 340.383 0.588 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3conc3CC)C[C@H]2O)cn1 ZINC001078032367 782179969 /nfs/dbraw/zinc/17/99/69/782179969.db2.gz KMGSUPZVGYGIGY-IAGOWNOFSA-N 1 2 340.383 0.588 20 30 ECEDLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)Nc2ccc(CC#N)cc2)C1 ZINC000748455277 579324777 /nfs/dbraw/zinc/32/47/77/579324777.db2.gz GJEKEJFGXNTCFK-HNNXBMFYSA-N 1 2 331.372 0.955 20 30 ECEDLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)Nc2ccc(CC#N)cc2)C1 ZINC000748455277 579324778 /nfs/dbraw/zinc/32/47/78/579324778.db2.gz GJEKEJFGXNTCFK-HNNXBMFYSA-N 1 2 331.372 0.955 20 30 ECEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000749789163 579343114 /nfs/dbraw/zinc/34/31/14/579343114.db2.gz MNEOMYFQXPMARQ-GFCCVEGCSA-N 1 2 348.403 0.411 20 30 ECEDLO C[C@@H](C(=O)NCCNC(=O)C1N=CC=CC1=O)[NH+]1CCSCC1 ZINC000750811872 579358920 /nfs/dbraw/zinc/35/89/20/579358920.db2.gz RMYACEGIGWZJGK-YLCNQMKUSA-N 1 2 338.433 0.066 20 30 ECEDLO C#CCOc1ccc(NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000751546288 579371006 /nfs/dbraw/zinc/37/10/06/579371006.db2.gz BVBRUEIATIRUQM-MRXNPFEDSA-N 1 2 347.415 0.855 20 30 ECEDLO C#CCOCCNC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000753382794 579399989 /nfs/dbraw/zinc/39/99/89/579399989.db2.gz OQQMUGNGRHXISB-UHFFFAOYSA-N 1 2 341.415 0.811 20 30 ECEDLO O=S1(=O)CC[C@H](N[NH+]=Cc2cnc(N3CCOCC3)s2)C1 ZINC000755456661 579433669 /nfs/dbraw/zinc/43/36/69/579433669.db2.gz WJQFWZHVAFJWGC-JTQLQIEISA-N 1 2 330.435 0.090 20 30 ECEDLO C#CCOCCC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000755895544 579440671 /nfs/dbraw/zinc/44/06/71/579440671.db2.gz GIOIGUZDPZPBFT-UHFFFAOYSA-N 1 2 349.475 0.867 20 30 ECEDLO C[S@](=O)CC[NH+]1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000755958480 579442618 /nfs/dbraw/zinc/44/26/18/579442618.db2.gz YGRUJZNRPWCKEE-DEOSSOPVSA-N 1 2 348.472 0.883 20 30 ECEDLO C[S@](=O)CCN1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000755958480 579442619 /nfs/dbraw/zinc/44/26/19/579442619.db2.gz YGRUJZNRPWCKEE-DEOSSOPVSA-N 1 2 348.472 0.883 20 30 ECEDLO N#CCOc1ccc(CC(=O)N(CCO)CC[NH+]2CCOCC2)cc1 ZINC000757104711 579459309 /nfs/dbraw/zinc/45/93/09/579459309.db2.gz IQVHBNFZLGLRPK-UHFFFAOYSA-N 1 2 347.415 0.285 20 30 ECEDLO CC(CC1CCOCC1)=NNC(=S)NCC[NH+]1CCOCC1 ZINC000757559682 579461977 /nfs/dbraw/zinc/46/19/77/579461977.db2.gz HBBXSIBIKQZLSK-UHFFFAOYSA-N 1 2 328.482 0.975 20 30 ECEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1C#N ZINC000725895428 578134737 /nfs/dbraw/zinc/13/47/37/578134737.db2.gz HQTATEPZCWYLNT-NEPJUHHUSA-N 1 2 348.428 0.974 20 30 ECEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1C#N ZINC000725895428 578134738 /nfs/dbraw/zinc/13/47/38/578134738.db2.gz HQTATEPZCWYLNT-NEPJUHHUSA-N 1 2 348.428 0.974 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(S(N)(=O)=O)s2)CC1 ZINC000729355236 578295288 /nfs/dbraw/zinc/29/52/88/578295288.db2.gz PSZDIPUCIFCPGV-UHFFFAOYSA-N 1 2 327.431 0.177 20 30 ECEDLO CN(CC[NH+]1CCOCC1)C(=O)NCCNc1ncccc1C#N ZINC000729603764 578297286 /nfs/dbraw/zinc/29/72/86/578297286.db2.gz KHJPNFRIWUQCMO-UHFFFAOYSA-N 1 2 332.408 0.339 20 30 ECEDLO CNC(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000732206795 578321054 /nfs/dbraw/zinc/32/10/54/578321054.db2.gz CLXAESFQXBVMPC-CYBMUJFWSA-N 1 2 339.399 0.878 20 30 ECEDLO CNC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000732206795 578321055 /nfs/dbraw/zinc/32/10/55/578321055.db2.gz CLXAESFQXBVMPC-CYBMUJFWSA-N 1 2 339.399 0.878 20 30 ECEDLO C[C@@H](C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1)n1cnc(C#N)n1 ZINC000798970324 578654899 /nfs/dbraw/zinc/65/48/99/578654899.db2.gz IVKXEWAISUPVJD-QWRGUYRKSA-N 1 2 333.421 0.346 20 30 ECEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000780882758 578702111 /nfs/dbraw/zinc/70/21/11/578702111.db2.gz NKIVPNRGKFHVNM-KRWDZBQOSA-N 1 2 344.415 0.262 20 30 ECEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000780882758 578702113 /nfs/dbraw/zinc/70/21/13/578702113.db2.gz NKIVPNRGKFHVNM-KRWDZBQOSA-N 1 2 344.415 0.262 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000782054682 578719516 /nfs/dbraw/zinc/71/95/16/578719516.db2.gz KSAHXIRUANYQLW-HNNXBMFYSA-N 1 2 335.429 0.642 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000782054682 578719517 /nfs/dbraw/zinc/71/95/17/578719517.db2.gz KSAHXIRUANYQLW-HNNXBMFYSA-N 1 2 335.429 0.642 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000782053766 578719529 /nfs/dbraw/zinc/71/95/29/578719529.db2.gz QXCLKOXCBSFXIO-CQSZACIVSA-N 1 2 327.450 0.062 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000782053766 578719530 /nfs/dbraw/zinc/71/95/30/578719530.db2.gz QXCLKOXCBSFXIO-CQSZACIVSA-N 1 2 327.450 0.062 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)cn1 ZINC000783553123 578742626 /nfs/dbraw/zinc/74/26/26/578742626.db2.gz QROVKYAARHCGMU-OAHLLOKOSA-N 1 2 337.383 0.717 20 30 ECEDLO C#CCOCCNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000784203294 578749659 /nfs/dbraw/zinc/74/96/59/578749659.db2.gz CBBJCNUQECUFCM-AWEZNQCLSA-N 1 2 332.404 0.756 20 30 ECEDLO COCCN(CCC#N)C(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000784448499 578752188 /nfs/dbraw/zinc/75/21/88/578752188.db2.gz MDEAPBVWWHSRLF-UHFFFAOYSA-N 1 2 333.392 0.783 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)NCCc1cn2ccccc2[nH+]1)[C@@H]1CCCO1 ZINC000786145401 578781373 /nfs/dbraw/zinc/78/13/73/578781373.db2.gz SPJNRZCNTBBKJC-CABCVRRESA-N 1 2 340.383 0.290 20 30 ECEDLO C#CCCCNC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000788010629 578825462 /nfs/dbraw/zinc/82/54/62/578825462.db2.gz OOCQDNXWQHPTFA-UHFFFAOYSA-N 1 2 342.443 0.454 20 30 ECEDLO C(#CC[N@@H+]1CCCC2(C1)OCCO2)CN1CCCC2(C1)OCCO2 ZINC000788486680 578838314 /nfs/dbraw/zinc/83/83/14/578838314.db2.gz YXKUMWIGSASXLM-UHFFFAOYSA-N 1 2 336.432 0.668 20 30 ECEDLO C(#CC[N@H+]1CCCC2(C1)OCCO2)CN1CCCC2(C1)OCCO2 ZINC000788486680 578838316 /nfs/dbraw/zinc/83/83/16/578838316.db2.gz YXKUMWIGSASXLM-UHFFFAOYSA-N 1 2 336.432 0.668 20 30 ECEDLO Nc1cc(COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc[nH+]1 ZINC000791509694 578890354 /nfs/dbraw/zinc/89/03/54/578890354.db2.gz AFYRXCOJCKPWES-UHFFFAOYSA-N 1 2 346.368 0.446 20 30 ECEDLO CCN1C(=O)CN(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1=O ZINC000793606418 578931952 /nfs/dbraw/zinc/93/19/52/578931952.db2.gz HXFNRTLYDVTWBP-CYBMUJFWSA-N 1 2 329.360 0.648 20 30 ECEDLO CCN1C(=O)CN(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1=O ZINC000793606418 578931953 /nfs/dbraw/zinc/93/19/53/578931953.db2.gz HXFNRTLYDVTWBP-CYBMUJFWSA-N 1 2 329.360 0.648 20 30 ECEDLO COc1ccc([NH+]2CCC(NC(=O)Cn3cnc(C#N)n3)CC2)cc1 ZINC000769168099 579140287 /nfs/dbraw/zinc/14/02/87/579140287.db2.gz XEOOXOKGPOEUOC-UHFFFAOYSA-N 1 2 340.387 0.944 20 30 ECEDLO C=c1[nH]c(=O)[nH]c(=O)c1=C(C)[NH2+]Nc1ccccc1S(N)(=O)=O ZINC000773123622 579220071 /nfs/dbraw/zinc/22/00/71/579220071.db2.gz APMOTQHVHIHYGI-UHFFFAOYSA-N 1 2 337.361 0.680 20 30 ECEDLO C#C[C@@H](NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CCCO1 ZINC000775650897 579269577 /nfs/dbraw/zinc/26/95/77/579269577.db2.gz VIJLHGDWTUJPAU-HZPDHXFCSA-N 1 2 347.419 0.518 20 30 ECEDLO C#CCOc1ccccc1NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000778810241 579311307 /nfs/dbraw/zinc/31/13/07/579311307.db2.gz MCYYEDAOBBXARI-CYBMUJFWSA-N 1 2 338.367 0.965 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2csc(NC)n2)CC1 ZINC000762245270 579539093 /nfs/dbraw/zinc/53/90/93/579539093.db2.gz KUVXVSIZGDGSTL-UHFFFAOYSA-N 1 2 335.433 0.082 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2csc(NC)n2)CC1 ZINC000762245270 579539094 /nfs/dbraw/zinc/53/90/94/579539094.db2.gz KUVXVSIZGDGSTL-UHFFFAOYSA-N 1 2 335.433 0.082 20 30 ECEDLO CON=Cc1ccc(C(=O)N2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000742180484 579781132 /nfs/dbraw/zinc/78/11/32/579781132.db2.gz XPLMVMAQPGUFDM-UHFFFAOYSA-N 1 2 342.403 0.716 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000744423021 579809406 /nfs/dbraw/zinc/80/94/06/579809406.db2.gz SRJYRLWKLMDGJV-QGZVFWFLSA-N 1 2 325.412 0.813 20 30 ECEDLO C[S@@](=O)CC[NH+]1CCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000746466347 579839943 /nfs/dbraw/zinc/83/99/43/579839943.db2.gz DAJDSYDSEFHBMO-HSZRJFAPSA-N 1 2 334.445 0.493 20 30 ECEDLO COc1cc(C[NH+]2CCN(CC(=O)NCCC#N)CC2)cc(OC)c1 ZINC000747532002 579852923 /nfs/dbraw/zinc/85/29/23/579852923.db2.gz GNCKZWPDEIUHBS-UHFFFAOYSA-N 1 2 346.431 0.851 20 30 ECEDLO CC[C@@H](C)[C@@H](NC(=O)C#CC1CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000837412400 588951197 /nfs/dbraw/zinc/95/11/97/588951197.db2.gz ZQFZPKBAEHSTQS-RHSMWYFYSA-N 1 2 335.448 0.379 20 30 ECEDLO C#CCCCS(=O)(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000840947013 588975803 /nfs/dbraw/zinc/97/58/03/588975803.db2.gz BRKQFKLGEXMNPP-UHFFFAOYSA-N 1 2 335.429 0.685 20 30 ECEDLO C#CCCCS(=O)(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000840947013 588975804 /nfs/dbraw/zinc/97/58/04/588975804.db2.gz BRKQFKLGEXMNPP-UHFFFAOYSA-N 1 2 335.429 0.685 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)c1cccc(F)c1C#N ZINC000841573429 588995846 /nfs/dbraw/zinc/99/58/46/588995846.db2.gz MRVHPDJITMNTOQ-VXGBXAGGSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)c1cccc(F)c1C#N ZINC000841573429 588995848 /nfs/dbraw/zinc/99/58/48/588995848.db2.gz MRVHPDJITMNTOQ-VXGBXAGGSA-N 1 2 341.408 0.773 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3)C1 ZINC000891608186 586180878 /nfs/dbraw/zinc/18/08/78/586180878.db2.gz XTAFIGRSNXFXPE-AWEZNQCLSA-N 1 2 340.383 0.334 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3)C1 ZINC000891608186 586180879 /nfs/dbraw/zinc/18/08/79/586180879.db2.gz XTAFIGRSNXFXPE-AWEZNQCLSA-N 1 2 340.383 0.334 20 30 ECEDLO C#CC[NH+]1CCN(c2nc(N)nc(C(F)(F)C(F)(F)F)n2)CC1 ZINC000891676616 586187720 /nfs/dbraw/zinc/18/77/20/586187720.db2.gz CWLPSQLYDILZPR-UHFFFAOYSA-N 1 2 336.268 0.863 20 30 ECEDLO C[N@@H+]1CCOC[C@@]1(CO)CNc1ncc(Br)cc1C#N ZINC000895610241 586191943 /nfs/dbraw/zinc/19/19/43/586191943.db2.gz SEHULMCISOBEQX-ZDUSSCGKSA-N 1 2 341.209 0.821 20 30 ECEDLO C[N@H+]1CCOC[C@@]1(CO)CNc1ncc(Br)cc1C#N ZINC000895610241 586191945 /nfs/dbraw/zinc/19/19/45/586191945.db2.gz SEHULMCISOBEQX-ZDUSSCGKSA-N 1 2 341.209 0.821 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000895916018 586212900 /nfs/dbraw/zinc/21/29/00/586212900.db2.gz SQRYSLKRJMJHLH-HIFRSBDPSA-N 1 2 337.445 0.988 20 30 ECEDLO CS(C)(=O)=NS(=O)(=O)CC[NH2+]Cc1cccc(F)c1C#N ZINC000896312848 586234637 /nfs/dbraw/zinc/23/46/37/586234637.db2.gz MCSMUXSBPCVPMC-UHFFFAOYSA-N 1 2 333.410 0.844 20 30 ECEDLO Cc1ccc(C(=O)/C=C\C(=O)NC2CC[NH+](CC(N)=O)CC2)cc1 ZINC000900061134 586521849 /nfs/dbraw/zinc/52/18/49/586521849.db2.gz PRAJPWHPPLZSBN-SREVYHEPSA-N 1 2 329.400 0.800 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cc([N+](=O)[O-])ccc2NC)CC1 ZINC000843299193 589060280 /nfs/dbraw/zinc/06/02/80/589060280.db2.gz VUVLWUKZAWAYLF-UHFFFAOYSA-N 1 2 331.376 0.826 20 30 ECEDLO COCC(COC)ON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000902703260 586755094 /nfs/dbraw/zinc/75/50/94/586755094.db2.gz CSXBMBVNILPVJJ-UHFFFAOYSA-N 1 2 337.420 0.817 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](C)c2ccncc2)CC1 ZINC000757445088 586888817 /nfs/dbraw/zinc/88/88/17/586888817.db2.gz VZSYJVMAHZEVPB-MRXNPFEDSA-N 1 2 342.443 0.859 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](C)c2ccncc2)CC1 ZINC000757445088 586888818 /nfs/dbraw/zinc/88/88/18/586888818.db2.gz VZSYJVMAHZEVPB-MRXNPFEDSA-N 1 2 342.443 0.859 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cn1cnc(-c2ccccc2)cc1=O ZINC000905495902 586898177 /nfs/dbraw/zinc/89/81/77/586898177.db2.gz NVDUKYDEBITCJH-SFHVURJKSA-N 1 2 339.399 0.870 20 30 ECEDLO COCC[C@@](C)(C#N)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000905517974 586899331 /nfs/dbraw/zinc/89/93/31/586899331.db2.gz HWAKDHLVXKFOIK-YCPHGPKFSA-N 1 2 325.409 0.301 20 30 ECEDLO Cn1ccc(-n2cc(CN(CCC#N)CC[NH+]3CCOCC3)nn2)n1 ZINC000906270127 586937253 /nfs/dbraw/zinc/93/72/53/586937253.db2.gz DKHYHVQQIBXGDQ-UHFFFAOYSA-N 1 2 344.423 0.049 20 30 ECEDLO Cc1oc(C#N)cc1C(=O)O[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000805970600 586949567 /nfs/dbraw/zinc/94/95/67/586949567.db2.gz IIQGPOPZXSPOGU-GFCCVEGCSA-N 1 2 335.360 0.453 20 30 ECEDLO N#CC[C@@H](O)C[NH+]1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000809577706 587180609 /nfs/dbraw/zinc/18/06/09/587180609.db2.gz AATCPEGHSJRVSC-CABCVRRESA-N 1 2 336.823 0.759 20 30 ECEDLO CN(C)c1[nH+]cc(CN=Nc2nccc(N3CCOCC3)n2)n1C ZINC000811645057 587223013 /nfs/dbraw/zinc/22/30/13/587223013.db2.gz WSWDTNYDZYLLHB-UHFFFAOYSA-N 1 2 330.396 0.559 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000813376669 587252103 /nfs/dbraw/zinc/25/21/03/587252103.db2.gz STUUKPIDIUQQGD-WMLDXEAASA-N 1 2 342.403 0.067 20 30 ECEDLO O=C(N[C@@H]1CCCN(O)C1=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000816757275 587324074 /nfs/dbraw/zinc/32/40/74/587324074.db2.gz PGQXBZCFOBXHKY-LLVKDONJSA-N 1 2 345.315 0.891 20 30 ECEDLO C[N@H+](CCC#N)C[C@@H](O)CNCc1nc(Cc2ccccc2)no1 ZINC000818979643 587463005 /nfs/dbraw/zinc/46/30/05/587463005.db2.gz SZPUSOPMCPCEFR-HNNXBMFYSA-N 1 2 329.404 0.956 20 30 ECEDLO C[N@@H+](CCC#N)C[C@@H](O)CNCc1nc(Cc2ccccc2)no1 ZINC000818979643 587463007 /nfs/dbraw/zinc/46/30/07/587463007.db2.gz SZPUSOPMCPCEFR-HNNXBMFYSA-N 1 2 329.404 0.956 20 30 ECEDLO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1nc(Cc2ccccc2)no1 ZINC000818979643 587463010 /nfs/dbraw/zinc/46/30/10/587463010.db2.gz SZPUSOPMCPCEFR-HNNXBMFYSA-N 1 2 329.404 0.956 20 30 ECEDLO O=C(C#Cc1cccs1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000826027250 587982365 /nfs/dbraw/zinc/98/23/65/587982365.db2.gz IOQIPYVTGGEUAH-AWEZNQCLSA-N 1 2 347.440 0.149 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](OC)C2CCCCC2)CC1 ZINC000826550433 588069076 /nfs/dbraw/zinc/06/90/76/588069076.db2.gz SDCVECYXCVNJGQ-GOSISDBHSA-N 1 2 349.475 0.865 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](OC)C2CCCCC2)CC1 ZINC000826550433 588069078 /nfs/dbraw/zinc/06/90/78/588069078.db2.gz SDCVECYXCVNJGQ-GOSISDBHSA-N 1 2 349.475 0.865 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C(\C)c2ccco2)CC1 ZINC000826553463 588070028 /nfs/dbraw/zinc/07/00/28/588070028.db2.gz BUNYERLNUKIBHW-FYWRMAATSA-N 1 2 329.400 0.967 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C(\C)c2ccco2)CC1 ZINC000826553463 588070030 /nfs/dbraw/zinc/07/00/30/588070030.db2.gz BUNYERLNUKIBHW-FYWRMAATSA-N 1 2 329.400 0.967 20 30 ECEDLO C#CCOc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@H](OC)CS3(=O)=O)cc1 ZINC000827388939 588117788 /nfs/dbraw/zinc/11/77/88/588117788.db2.gz KXKCKOOGLXLKEX-BBWFWOEESA-N 1 2 335.425 0.942 20 30 ECEDLO C#CCOc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@H](OC)CS3(=O)=O)cc1 ZINC000827388939 588117789 /nfs/dbraw/zinc/11/77/89/588117789.db2.gz KXKCKOOGLXLKEX-BBWFWOEESA-N 1 2 335.425 0.942 20 30 ECEDLO C[C@@](O)(C[N@@H+]1CC[C@](O)(CC#N)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000829991630 588352425 /nfs/dbraw/zinc/35/24/25/588352425.db2.gz LATISEDSPSGCGD-HZPDHXFCSA-N 1 2 338.429 0.648 20 30 ECEDLO C[C@@](O)(C[N@H+]1CC[C@](O)(CC#N)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000829991630 588352427 /nfs/dbraw/zinc/35/24/27/588352427.db2.gz LATISEDSPSGCGD-HZPDHXFCSA-N 1 2 338.429 0.648 20 30 ECEDLO C#CC1CC[NH+]([C@@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000830305310 588367841 /nfs/dbraw/zinc/36/78/41/588367841.db2.gz LABZFKGAYPOVPI-ZFWWWQNUSA-N 1 2 326.462 0.756 20 30 ECEDLO COc1cc(C(=O)N(CCO)CC[NH+]2CCOCC2)ccc1C#N ZINC000830637993 588379792 /nfs/dbraw/zinc/37/97/92/588379792.db2.gz YVDLTVABNJEANV-UHFFFAOYSA-N 1 2 333.388 0.334 20 30 ECEDLO C#CCNC(=O)C[N@@H+](Cc1cc(C)c(C)c(S(N)(=O)=O)c1)C1CC1 ZINC000844394098 589110100 /nfs/dbraw/zinc/11/01/00/589110100.db2.gz NQHMVALOPKBOQS-UHFFFAOYSA-N 1 2 349.456 0.665 20 30 ECEDLO C#CCNC(=O)C[N@H+](Cc1cc(C)c(C)c(S(N)(=O)=O)c1)C1CC1 ZINC000844394098 589110102 /nfs/dbraw/zinc/11/01/02/589110102.db2.gz NQHMVALOPKBOQS-UHFFFAOYSA-N 1 2 349.456 0.665 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)CCO1 ZINC000844943665 589126429 /nfs/dbraw/zinc/12/64/29/589126429.db2.gz PRXSBOSMRCLGQN-PBHICJAKSA-N 1 2 346.431 0.954 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)CCO1 ZINC000844943665 589126430 /nfs/dbraw/zinc/12/64/30/589126430.db2.gz PRXSBOSMRCLGQN-PBHICJAKSA-N 1 2 346.431 0.954 20 30 ECEDLO CC(C)(C)OC(=O)NCC[C@H](O)C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000846954921 589230488 /nfs/dbraw/zinc/23/04/88/589230488.db2.gz JLTMTNWDBSQVPR-ZDUSSCGKSA-N 1 2 340.424 0.320 20 30 ECEDLO Nc1c(F)cccc1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000848401098 589292911 /nfs/dbraw/zinc/29/29/11/589292911.db2.gz UDIMTMPCKKXRTB-UHFFFAOYSA-N 1 2 325.413 0.538 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(CC)[C@H](C)C(=O)OC(C)(C)C)CC1 ZINC000852307357 589490122 /nfs/dbraw/zinc/49/01/22/589490122.db2.gz XKDFGSXINBLEGE-OAHLLOKOSA-N 1 2 337.464 0.816 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000112920721 589617314 /nfs/dbraw/zinc/61/73/14/589617314.db2.gz QGDXNGIJMKEFGZ-UHFFFAOYSA-N 1 2 340.343 0.567 20 30 ECEDLO C#CCCCCNC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C ZINC000860019804 589737244 /nfs/dbraw/zinc/73/72/44/589737244.db2.gz AKZAZJCIIKRLKK-GJZGRUSLSA-N 1 2 332.404 0.628 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2nc[nH]c2Br)CC1 ZINC000866598754 589753910 /nfs/dbraw/zinc/75/39/10/589753910.db2.gz OEYVACVWHJOHRL-UHFFFAOYSA-N 1 2 347.238 0.502 20 30 ECEDLO C#CCCOC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000858928341 589783614 /nfs/dbraw/zinc/78/36/14/589783614.db2.gz PMTRHNHILDOOKU-UHFFFAOYSA-N 1 2 330.388 0.870 20 30 ECEDLO C#C[C@H]1CCCN(C(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2[nH+]ccn2C)C1 ZINC000862140847 589923366 /nfs/dbraw/zinc/92/33/66/589923366.db2.gz BINUTKSQSJCVNF-BPUTZDHNSA-N 1 2 344.415 0.580 20 30 ECEDLO C#CCCCCCOC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000869495816 589968154 /nfs/dbraw/zinc/96/81/54/589968154.db2.gz BYEOHOPDQITSNF-INIZCTEOSA-N 1 2 336.432 0.904 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=C1CCCc2scnc21 ZINC000863067423 589989405 /nfs/dbraw/zinc/98/94/05/589989405.db2.gz XLVIBDRUTCSANB-UHFFFAOYSA-N 1 2 339.490 0.980 20 30 ECEDLO CCc1[nH]nc(Cl)c1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000863067342 589989542 /nfs/dbraw/zinc/98/95/42/589989542.db2.gz TXUFRRKKSOWMHB-UHFFFAOYSA-N 1 2 344.872 0.756 20 30 ECEDLO COC(=O)CC[NH+]1CCC(=NN[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000863135564 589990594 /nfs/dbraw/zinc/99/05/94/589990594.db2.gz ZQAOJRLBVYSTJE-ZDUSSCGKSA-N 1 2 331.438 0.168 20 30 ECEDLO N#C[C@@]1(C(=O)N2CC[NH+](CCc3cnccn3)CC2)CCCOC1 ZINC000871219339 590056251 /nfs/dbraw/zinc/05/62/51/590056251.db2.gz BHVSNPHODGVYGV-KRWDZBQOSA-N 1 2 329.404 0.484 20 30 ECEDLO N#Cc1ccc(N2CCN(C(=O)NCCn3cc[nH+]c3)CC2)cn1 ZINC000871622855 590082853 /nfs/dbraw/zinc/08/28/53/590082853.db2.gz FGBOAFQRGMWBJF-UHFFFAOYSA-N 1 2 325.376 0.682 20 30 ECEDLO N#Cc1ccccc1N1CC[NH+](CN2CC3(COC3)CC2=O)CC1 ZINC000872574722 590129017 /nfs/dbraw/zinc/12/90/17/590129017.db2.gz MJIDMAYHXUCVQM-UHFFFAOYSA-N 1 2 326.400 0.887 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@]23CCC[C@H]2OCC3)CC1 ZINC000865177657 590129917 /nfs/dbraw/zinc/12/99/17/590129917.db2.gz GMROCVUAMPLBPZ-QAPCUYQASA-N 1 2 333.432 0.229 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@]23CCC[C@H]2OCC3)CC1 ZINC000865177657 590129919 /nfs/dbraw/zinc/12/99/19/590129919.db2.gz GMROCVUAMPLBPZ-QAPCUYQASA-N 1 2 333.432 0.229 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2CC3(CSC3)C2)CC1 ZINC000865177935 590129922 /nfs/dbraw/zinc/12/99/22/590129922.db2.gz NUCACTJAIWNRDQ-UHFFFAOYSA-N 1 2 335.473 0.413 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2CC3(CSC3)C2)CC1 ZINC000865177935 590129924 /nfs/dbraw/zinc/12/99/24/590129924.db2.gz NUCACTJAIWNRDQ-UHFFFAOYSA-N 1 2 335.473 0.413 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2(C)CC(F)(F)C2)CC1 ZINC000874383336 590237178 /nfs/dbraw/zinc/23/71/78/590237178.db2.gz SXFQUIKIODLLIZ-UHFFFAOYSA-N 1 2 327.375 0.706 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(C)CC(F)(F)C2)CC1 ZINC000874383336 590237180 /nfs/dbraw/zinc/23/71/80/590237180.db2.gz SXFQUIKIODLLIZ-UHFFFAOYSA-N 1 2 327.375 0.706 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2ccc(F)c(NS(C)(=O)=O)c2)CC1 ZINC000125196331 590255548 /nfs/dbraw/zinc/25/55/48/590255548.db2.gz FYQCQFHRLDQUBY-UHFFFAOYSA-N 1 2 339.392 0.588 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000875009048 590262341 /nfs/dbraw/zinc/26/23/41/590262341.db2.gz NRBKBUGFUZPFNE-AWEZNQCLSA-N 1 2 342.399 0.615 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CCN(C)c2[nH+]cccc2C1)[C@H]1CCCO1 ZINC000875323061 590292792 /nfs/dbraw/zinc/29/27/92/590292792.db2.gz FPCNFAFGZGKEKE-LSDHHAIUSA-N 1 2 342.399 0.157 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC(F)(F)[C@H](C(=O)OCC)C1 ZINC000879371607 590308677 /nfs/dbraw/zinc/30/86/77/590308677.db2.gz TYQXMGZZMJTPGV-MNOVXSKESA-N 1 2 347.362 0.907 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC(F)(F)[C@H](C(=O)OCC)C1 ZINC000879371607 590308678 /nfs/dbraw/zinc/30/86/78/590308678.db2.gz TYQXMGZZMJTPGV-MNOVXSKESA-N 1 2 347.362 0.907 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000875596367 590311955 /nfs/dbraw/zinc/31/19/55/590311955.db2.gz LLIKIMOYLUUGNK-UONOGXRCSA-N 1 2 332.404 0.281 20 30 ECEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879534775 590321236 /nfs/dbraw/zinc/32/12/36/590321236.db2.gz XSOJUUDJZUKBAV-MJBXVCDLSA-N 1 2 327.340 0.319 20 30 ECEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879534775 590321238 /nfs/dbraw/zinc/32/12/38/590321238.db2.gz XSOJUUDJZUKBAV-MJBXVCDLSA-N 1 2 327.340 0.319 20 30 ECEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879611929 590328365 /nfs/dbraw/zinc/32/83/65/590328365.db2.gz MYSNXNBBKUBSGO-BMFZPTHFSA-N 1 2 347.415 0.758 20 30 ECEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879611929 590328368 /nfs/dbraw/zinc/32/83/68/590328368.db2.gz MYSNXNBBKUBSGO-BMFZPTHFSA-N 1 2 347.415 0.758 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000875919581 590346048 /nfs/dbraw/zinc/34/60/48/590346048.db2.gz LSJHZOLIVHTMIM-OAHLLOKOSA-N 1 2 333.436 0.676 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CCn2cnc3sccc3c2=O)CC1 ZINC000128416620 590393463 /nfs/dbraw/zinc/39/34/63/590393463.db2.gz GBPKVWVNYBEURP-UHFFFAOYSA-N 1 2 330.413 0.626 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]3CCNC(=O)[C@@H]32)cc1 ZINC000880529117 590399759 /nfs/dbraw/zinc/39/97/59/590399759.db2.gz JHYOMXPEHYMMFJ-NVXWUHKLSA-N 1 2 326.400 0.775 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]3CCNC(=O)[C@@H]32)cc1 ZINC000880529117 590399761 /nfs/dbraw/zinc/39/97/61/590399761.db2.gz JHYOMXPEHYMMFJ-NVXWUHKLSA-N 1 2 326.400 0.775 20 30 ECEDLO C=CC[C@@H](C(=O)OC)[NH+]1CCN(c2ncnc3c2cnn3C)CC1 ZINC000877917620 590486753 /nfs/dbraw/zinc/48/67/53/590486753.db2.gz ZPJKHBGGWVVDGR-ZDUSSCGKSA-N 1 2 330.392 0.603 20 30 ECEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000878389226 590519190 /nfs/dbraw/zinc/51/91/90/590519190.db2.gz ZMMQTFSAAZYTRP-UONOGXRCSA-N 1 2 346.449 0.231 20 30 ECEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000878389226 590519191 /nfs/dbraw/zinc/51/91/91/590519191.db2.gz ZMMQTFSAAZYTRP-UONOGXRCSA-N 1 2 346.449 0.231 20 30 ECEDLO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(=O)OC ZINC000882763845 590582330 /nfs/dbraw/zinc/58/23/30/590582330.db2.gz BZUVQHMPGQFIPK-LBPRGKRZSA-N 1 2 337.401 0.717 20 30 ECEDLO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(=O)OC ZINC000882763845 590582332 /nfs/dbraw/zinc/58/23/32/590582332.db2.gz BZUVQHMPGQFIPK-LBPRGKRZSA-N 1 2 337.401 0.717 20 30 ECEDLO C#CCCOc1ccc(C[NH2+]Cc2nnc3n2CCNC3=O)cc1 ZINC000883294816 590611419 /nfs/dbraw/zinc/61/14/19/590611419.db2.gz MMECIHGDJCHOPH-UHFFFAOYSA-N 1 2 325.372 0.713 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(CCC#N)cc2)CC[N@@H+]1CCO ZINC000885119755 590684919 /nfs/dbraw/zinc/68/49/19/590684919.db2.gz JWZLUMPOKRDRDV-CQSZACIVSA-N 1 2 337.445 0.830 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(CCC#N)cc2)CC[N@H+]1CCO ZINC000885119755 590684922 /nfs/dbraw/zinc/68/49/22/590684922.db2.gz JWZLUMPOKRDRDV-CQSZACIVSA-N 1 2 337.445 0.830 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CC2(OCC)CCOCC2)C1 ZINC000885509617 590728877 /nfs/dbraw/zinc/72/88/77/590728877.db2.gz UVCDKKUGWSSCJN-OAHLLOKOSA-N 1 2 344.477 0.589 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CC2(OCC)CCOCC2)C1 ZINC000885509617 590728878 /nfs/dbraw/zinc/72/88/78/590728878.db2.gz UVCDKKUGWSSCJN-OAHLLOKOSA-N 1 2 344.477 0.589 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000885514262 590730230 /nfs/dbraw/zinc/73/02/30/590730230.db2.gz VLVFRXVVQVKWSK-NSHDSACASA-N 1 2 335.385 0.909 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000885514262 590730231 /nfs/dbraw/zinc/73/02/31/590730231.db2.gz VLVFRXVVQVKWSK-NSHDSACASA-N 1 2 335.385 0.909 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C#N)cc2OC)C1 ZINC000885512373 590730538 /nfs/dbraw/zinc/73/05/38/590730538.db2.gz VMEOEIZIQULIFY-AWEZNQCLSA-N 1 2 333.413 0.943 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C#N)cc2OC)C1 ZINC000885512373 590730541 /nfs/dbraw/zinc/73/05/41/590730541.db2.gz VMEOEIZIQULIFY-AWEZNQCLSA-N 1 2 333.413 0.943 20 30 ECEDLO C[C@@H](ON=C(N)C[NH+]1CCSCC1)C(=O)NCC(F)(F)F ZINC000136085219 590744974 /nfs/dbraw/zinc/74/49/74/590744974.db2.gz ZZKYBGSMIMEWRW-MRVPVSSYSA-N 1 2 328.360 0.391 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCCn1cnc2ccccc21 ZINC000884180007 590764988 /nfs/dbraw/zinc/76/49/88/590764988.db2.gz JEFADORCYXKDQV-ZDUSSCGKSA-N 1 2 330.388 0.989 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1nc2ccc(F)cc2n1C ZINC000884218458 590779645 /nfs/dbraw/zinc/77/96/45/590779645.db2.gz OOKGYGWFDJELFU-LBPRGKRZSA-N 1 2 348.378 0.818 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCCCS2(=O)=O)C1 ZINC000884262827 590791510 /nfs/dbraw/zinc/79/15/10/590791510.db2.gz VDXGQSYUGHVFIB-KBPBESRZSA-N 1 2 327.450 0.351 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCCCS2(=O)=O)C1 ZINC000884262827 590791511 /nfs/dbraw/zinc/79/15/11/590791511.db2.gz VDXGQSYUGHVFIB-KBPBESRZSA-N 1 2 327.450 0.351 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1nc2cccc(C)c2n1C ZINC000884327500 590806892 /nfs/dbraw/zinc/80/68/92/590806892.db2.gz ULJHLMSMAOBMNH-LBPRGKRZSA-N 1 2 330.388 0.945 20 30 ECEDLO C=CCC[C@@H](O)C[N@H+]1CCOC[C@@]1(CO)CNC(=O)OC(C)(C)C ZINC000886292590 590826242 /nfs/dbraw/zinc/82/62/42/590826242.db2.gz RWMXGSXLBQJNEX-PBHICJAKSA-N 1 2 344.452 0.902 20 30 ECEDLO C=CCC[C@@H](O)C[N@@H+]1CCOC[C@@]1(CO)CNC(=O)OC(C)(C)C ZINC000886292590 590826246 /nfs/dbraw/zinc/82/62/46/590826246.db2.gz RWMXGSXLBQJNEX-PBHICJAKSA-N 1 2 344.452 0.902 20 30 ECEDLO N#CC[C@@H](O)C[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000929974045 611373474 /nfs/dbraw/zinc/37/34/74/611373474.db2.gz SKOYXVRHFOPUEY-OAHLLOKOSA-N 1 2 327.392 0.054 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC(NC(=O)Cc3c[nH]c[nH+]3)CC2)c1 ZINC000948293335 611505766 /nfs/dbraw/zinc/50/57/66/611505766.db2.gz RMABJNUVAUAIKE-UHFFFAOYSA-N 1 2 337.383 0.750 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnn(C3CCC3)c2)CC1 ZINC000932037778 611594095 /nfs/dbraw/zinc/59/40/95/611594095.db2.gz DYCDXASEWPFEQG-UHFFFAOYSA-N 1 2 343.431 0.505 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnn(C3CCC3)c2)CC1 ZINC000932037778 611594098 /nfs/dbraw/zinc/59/40/98/611594098.db2.gz DYCDXASEWPFEQG-UHFFFAOYSA-N 1 2 343.431 0.505 20 30 ECEDLO COc1ncc(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1C#N ZINC000932516002 611636327 /nfs/dbraw/zinc/63/63/27/611636327.db2.gz ASOAGXMDINXLKR-CQSZACIVSA-N 1 2 331.376 0.900 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cnc(C)nc3OC)CC2)C1 ZINC000949382964 608660854 /nfs/dbraw/zinc/66/08/54/608660854.db2.gz OBCRTDZWACGJND-UHFFFAOYSA-N 1 2 344.415 0.734 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cnc(C)nc3OC)CC2)C1 ZINC000949382964 608660856 /nfs/dbraw/zinc/66/08/56/608660856.db2.gz OBCRTDZWACGJND-UHFFFAOYSA-N 1 2 344.415 0.734 20 30 ECEDLO Cc1ccccc1CC(N)=[NH+]OCC(=O)NCC(=O)NC(C)(C)C ZINC000160933904 608737878 /nfs/dbraw/zinc/73/78/78/608737878.db2.gz GADPKIORWFAQOP-UHFFFAOYSA-N 1 2 334.420 0.857 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C ZINC000937529782 608869367 /nfs/dbraw/zinc/86/93/67/608869367.db2.gz SKALEEZXHBSZRF-JONQDZQNSA-N 1 2 344.415 0.365 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1CCS(C)(=O)=O ZINC000947204925 608918601 /nfs/dbraw/zinc/91/86/01/608918601.db2.gz JIRXCMYFTSVJKX-DGCLKSJQSA-N 1 2 338.433 0.514 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1CCS(C)(=O)=O ZINC000947204925 608918603 /nfs/dbraw/zinc/91/86/03/608918603.db2.gz JIRXCMYFTSVJKX-DGCLKSJQSA-N 1 2 338.433 0.514 20 30 ECEDLO C#CC[NH+]1CCC(NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)CC1 ZINC000928654039 608922257 /nfs/dbraw/zinc/92/22/57/608922257.db2.gz KXYSPKRYEPZSJK-LBPRGKRZSA-N 1 2 333.354 0.903 20 30 ECEDLO C=CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923780298 608936638 /nfs/dbraw/zinc/93/66/38/608936638.db2.gz DQPOFVKIUXXOSZ-MCIONIFRSA-N 1 2 326.393 0.100 20 30 ECEDLO C#CC[C@H](CO)NC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000923919414 609470557 /nfs/dbraw/zinc/47/05/57/609470557.db2.gz PYJSPJCFNHSLAI-QZTJIDSGSA-N 1 2 345.443 0.879 20 30 ECEDLO C#CC[C@H](CO)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000923919414 609470558 /nfs/dbraw/zinc/47/05/58/609470558.db2.gz PYJSPJCFNHSLAI-QZTJIDSGSA-N 1 2 345.443 0.879 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000938193669 609513173 /nfs/dbraw/zinc/51/31/73/609513173.db2.gz DFZPXSWCMYAXRH-ZOBUZTSGSA-N 1 2 346.431 0.972 20 30 ECEDLO C#CCN(CC(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1)C(=O)OC(C)(C)C ZINC000913455657 609673265 /nfs/dbraw/zinc/67/32/65/609673265.db2.gz IHEYFXMQXMTCBS-AWEZNQCLSA-N 1 2 347.419 0.753 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC000930117951 609673993 /nfs/dbraw/zinc/67/39/93/609673993.db2.gz BAPORWTWDRDJJX-UHFFFAOYSA-N 1 2 337.445 0.589 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000921093604 609698142 /nfs/dbraw/zinc/69/81/42/609698142.db2.gz QKHXJSOJNAHAOI-UHFFFAOYSA-N 1 2 331.467 0.775 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCC(S(=O)(=O)N2CCCCC2)CC1 ZINC000933095049 611708288 /nfs/dbraw/zinc/70/82/88/611708288.db2.gz ZQTJAKZZEUXVLR-AWEZNQCLSA-N 1 2 341.477 0.404 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@H]1C ZINC000947824277 611708646 /nfs/dbraw/zinc/70/86/46/611708646.db2.gz GPCBYSTZANRKHF-CHWSQXEVSA-N 1 2 342.403 0.064 20 30 ECEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@H]1C ZINC000947824277 611708648 /nfs/dbraw/zinc/70/86/48/611708648.db2.gz GPCBYSTZANRKHF-CHWSQXEVSA-N 1 2 342.403 0.064 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)nc1 ZINC000938373143 609759491 /nfs/dbraw/zinc/75/94/91/609759491.db2.gz ZIKKYBQUPYPSPU-AWEZNQCLSA-N 1 2 337.383 0.668 20 30 ECEDLO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)Cc2csc(C#N)c2)CC1 ZINC000914325766 609876880 /nfs/dbraw/zinc/87/68/80/609876880.db2.gz RVUYGJKHMXFZAJ-CYBMUJFWSA-N 1 2 343.474 0.838 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)c1 ZINC000938702839 609951257 /nfs/dbraw/zinc/95/12/57/609951257.db2.gz AZGOBYRJZDNKJS-HNNXBMFYSA-N 1 2 337.383 0.750 20 30 ECEDLO Cc1cccc(C#N)c1S(=O)(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000917065928 609960473 /nfs/dbraw/zinc/96/04/73/609960473.db2.gz CFKBSKLCOAFAAZ-HNNXBMFYSA-N 1 2 334.445 0.535 20 30 ECEDLO Cc1cccc(C#N)c1S(=O)(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000917065928 609960475 /nfs/dbraw/zinc/96/04/75/609960475.db2.gz CFKBSKLCOAFAAZ-HNNXBMFYSA-N 1 2 334.445 0.535 20 30 ECEDLO C=CC[N@H+](CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C(C)C ZINC000917070891 609961341 /nfs/dbraw/zinc/96/13/41/609961341.db2.gz JJANGRVSNAEDIL-OAHLLOKOSA-N 1 2 343.493 0.214 20 30 ECEDLO C=CC[N@@H+](CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C(C)C ZINC000917070891 609961343 /nfs/dbraw/zinc/96/13/43/609961343.db2.gz JJANGRVSNAEDIL-OAHLLOKOSA-N 1 2 343.493 0.214 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC000938916961 610043779 /nfs/dbraw/zinc/04/37/79/610043779.db2.gz CDCDDUAHRNDOHZ-CABCVRRESA-N 1 2 348.447 0.508 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)cn1 ZINC000939908587 610169109 /nfs/dbraw/zinc/16/91/09/610169109.db2.gz QQONJPAHJOFLJL-INIZCTEOSA-N 1 2 337.383 0.702 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N(C)[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC000939408832 610193351 /nfs/dbraw/zinc/19/33/51/610193351.db2.gz BXEJBIRBEYFIRQ-JSGCOSHPSA-N 1 2 330.388 0.852 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000940098580 610208042 /nfs/dbraw/zinc/20/80/42/610208042.db2.gz AWAPNWPHJXXHHZ-DGCLKSJQSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000940098580 610208043 /nfs/dbraw/zinc/20/80/43/610208043.db2.gz AWAPNWPHJXXHHZ-DGCLKSJQSA-N 1 2 340.387 0.819 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC000940379281 610276665 /nfs/dbraw/zinc/27/66/65/610276665.db2.gz NTCHPFYDCGYDNB-TUVASFSCSA-N 1 2 346.431 0.897 20 30 ECEDLO Cc1c[nH+]c2cc(C(=O)N3CCN(C4CN(CC#N)C4)CC3)ccn12 ZINC000941411277 610302380 /nfs/dbraw/zinc/30/23/80/610302380.db2.gz XLQPDAWYAPBUBQ-UHFFFAOYSA-N 1 2 338.415 0.608 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCO[C@@H]3C(C)C)CC2)C1 ZINC000941433472 610313694 /nfs/dbraw/zinc/31/36/94/610313694.db2.gz WRVOSIAIIKECHJ-ZWKOTPCHSA-N 1 2 333.476 0.899 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3ccc(F)cn3)CC2)C1 ZINC000941461091 610320662 /nfs/dbraw/zinc/32/06/62/610320662.db2.gz YLHPPSRNCSKDDH-UHFFFAOYSA-N 1 2 330.407 0.615 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@@H](C)c3c(C)n[nH]c3C)CC2)C1 ZINC000941462489 610321084 /nfs/dbraw/zinc/32/10/84/610321084.db2.gz BBGBKRAIWWKXLT-CQSZACIVSA-N 1 2 343.475 0.982 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc4cccn4cn3)CC2)C1 ZINC000941452365 610326432 /nfs/dbraw/zinc/32/64/32/610326432.db2.gz VEKNLSKPROCXTR-UHFFFAOYSA-N 1 2 337.427 0.800 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)C(C)(C)c3cccnc3)CC2)C1 ZINC000941468704 610328841 /nfs/dbraw/zinc/32/88/41/610328841.db2.gz YFCHMGXTTRPEPU-UHFFFAOYSA-N 1 2 326.444 0.821 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccc(COC)c3)CC2)C1 ZINC000941476038 610332429 /nfs/dbraw/zinc/33/24/29/610332429.db2.gz HVHAFSSLCYSRMM-UHFFFAOYSA-N 1 2 327.428 0.908 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(C)cn4ccnc34)CC2)C1 ZINC000941499140 610343775 /nfs/dbraw/zinc/34/37/75/610343775.db2.gz NUYVRWUVOVXHDC-UHFFFAOYSA-N 1 2 337.427 0.718 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(OC)ccn3)CC2)C1 ZINC000941513661 610352782 /nfs/dbraw/zinc/35/27/82/610352782.db2.gz MNCBLIWAUFQVHW-UHFFFAOYSA-N 1 2 328.416 0.556 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3ccnc(OC)c3)CC2)C1 ZINC000941566763 610386389 /nfs/dbraw/zinc/38/63/89/610386389.db2.gz MQNXRUVPYWKAKP-UHFFFAOYSA-N 1 2 328.416 0.094 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@@H](C(N)=O)C3)CC2)C1 ZINC000941592326 610388424 /nfs/dbraw/zinc/38/84/24/610388424.db2.gz HPDCAZVCWLHSSR-CVEARBPZSA-N 1 2 346.475 0.130 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnn(C(C)C)c3C)CC2)C1 ZINC000941635354 610420707 /nfs/dbraw/zinc/42/07/07/610420707.db2.gz RSHYINYJFHSAHK-UHFFFAOYSA-N 1 2 329.448 0.848 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](CC)N3CCCC3=O)CC2)C1 ZINC000941670385 610444010 /nfs/dbraw/zinc/44/40/10/610444010.db2.gz PZGUNOWFEPZILG-KRWDZBQOSA-N 1 2 346.475 0.239 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C3CCN(C(C)=O)CC3)CC2)C1 ZINC000941662131 610453440 /nfs/dbraw/zinc/45/34/40/610453440.db2.gz XWWPJMZFOHKMQK-UHFFFAOYSA-N 1 2 346.475 0.097 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnn(C)c3C3CC3)CC2)C1 ZINC000941684865 610463281 /nfs/dbraw/zinc/46/32/81/610463281.db2.gz COHAASWHWJUJAD-UHFFFAOYSA-N 1 2 327.432 0.373 20 30 ECEDLO O=C(C#CC1CC1)N1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000941004298 610488412 /nfs/dbraw/zinc/48/84/12/610488412.db2.gz XBAOLQDYYLSCTO-INIZCTEOSA-N 1 2 340.427 0.920 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)nn1 ZINC000942514966 610494727 /nfs/dbraw/zinc/49/47/27/610494727.db2.gz KMSVIZNTQCIZES-GFCCVEGCSA-N 1 2 343.391 0.151 20 30 ECEDLO C=CCn1cc(C(=O)N2CCCN(C(=O)Cc3[nH]cc[nH+]3)CC2)nn1 ZINC000941091657 610532415 /nfs/dbraw/zinc/53/24/15/610532415.db2.gz HPJXSCUBQKGKSJ-UHFFFAOYSA-N 1 2 343.391 0.104 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2ncnn2C)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941962472 610585805 /nfs/dbraw/zinc/58/58/05/610585805.db2.gz FIJIKUGFDKNBNI-BXUZGUMPSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2ncnn2C)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941962472 610585808 /nfs/dbraw/zinc/58/58/08/610585808.db2.gz FIJIKUGFDKNBNI-BXUZGUMPSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@H]1C[N@H+](Cc2cn(C)nn2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941964290 610586519 /nfs/dbraw/zinc/58/65/19/610586519.db2.gz QTULANBKQQEQJS-XHDPSFHLSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@H]1C[N@@H+](Cc2cn(C)nn2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941964290 610586520 /nfs/dbraw/zinc/58/65/20/610586520.db2.gz QTULANBKQQEQJS-XHDPSFHLSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2cn(C)nn2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941965402 610587822 /nfs/dbraw/zinc/58/78/22/610587822.db2.gz AGQCCKVWRVYFRA-RISCZKNCSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2cn(C)nn2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941965402 610587823 /nfs/dbraw/zinc/58/78/23/610587823.db2.gz AGQCCKVWRVYFRA-RISCZKNCSA-N 1 2 327.392 0.655 20 30 ECEDLO C#CCN1CC(N2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)CC2)C1 ZINC000941410138 610723270 /nfs/dbraw/zinc/72/32/70/610723270.db2.gz AZWBXLTXYVTQTE-UHFFFAOYSA-N 1 2 337.427 0.718 20 30 ECEDLO N#Cc1cc(C(=O)N[C@H]2CCCCN(C(=O)Cc3c[nH+]c[nH]3)C2)c[nH]1 ZINC000943199218 610744273 /nfs/dbraw/zinc/74/42/73/610744273.db2.gz LLFMLDRNRWWATQ-ZDUSSCGKSA-N 1 2 340.387 0.963 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nncn3C)C[C@@H]2C)cn1 ZINC000944213849 610785855 /nfs/dbraw/zinc/78/58/55/610785855.db2.gz GSVLFQQDKKUEGO-XJKSGUPXSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3nncn3C)C[C@@H]2C)cn1 ZINC000944213849 610785857 /nfs/dbraw/zinc/78/58/57/610785857.db2.gz GSVLFQQDKKUEGO-XJKSGUPXSA-N 1 2 338.415 0.832 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000943343462 610811772 /nfs/dbraw/zinc/81/17/72/610811772.db2.gz VFAXSPLCWGNJOU-XHSDSOJGSA-N 1 2 346.431 0.972 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000944415377 610858171 /nfs/dbraw/zinc/85/81/71/610858171.db2.gz XKGZFIBTASAATL-ZDUSSCGKSA-N 1 2 329.404 0.953 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC2(CN(C(=O)C#CC3CC3)C2)CC1 ZINC000944984039 610869170 /nfs/dbraw/zinc/86/91/70/610869170.db2.gz YFIXIJAVNVLBAM-UHFFFAOYSA-N 1 2 340.427 0.827 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(C)o3)C[C@H]2C)nn1 ZINC000943483585 610869703 /nfs/dbraw/zinc/86/97/03/610869703.db2.gz YGVNLZHDPPZHLC-YPMHNXCESA-N 1 2 345.407 0.796 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3nnc(C)o3)C[C@H]2C)nn1 ZINC000943483585 610869705 /nfs/dbraw/zinc/86/97/05/610869705.db2.gz YGVNLZHDPPZHLC-YPMHNXCESA-N 1 2 345.407 0.796 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]2[C@H](CCN2C(=O)Cn2cc[nH+]c2)C1 ZINC000945942616 611162843 /nfs/dbraw/zinc/16/28/43/611162843.db2.gz OHIOZJHLVQTAJA-HZPDHXFCSA-N 1 2 326.400 0.746 20 30 ECEDLO C=CCn1c(=O)c2ccc(C(=O)NCC3C[NH2+]C3)cc2[nH]c1=S ZINC000834398246 611288474 /nfs/dbraw/zinc/28/84/74/611288474.db2.gz CGQIYFWTKNWWCI-UHFFFAOYSA-N 1 2 330.413 0.820 20 30 ECEDLO N#Cc1ccc([C@@H]2C[N@H+](C[C@@H](O)C3(O)CCOCC3)CCO2)cc1 ZINC000933631464 611736440 /nfs/dbraw/zinc/73/64/40/611736440.db2.gz JRNKRBSTKIKENI-DLBZAZTESA-N 1 2 332.400 0.834 20 30 ECEDLO N#Cc1ccc([C@@H]2C[N@@H+](C[C@@H](O)C3(O)CCOCC3)CCO2)cc1 ZINC000933631464 611736442 /nfs/dbraw/zinc/73/64/42/611736442.db2.gz JRNKRBSTKIKENI-DLBZAZTESA-N 1 2 332.400 0.834 20 30 ECEDLO CCCNC(=O)CN(C)C(=O)C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933653131 611739201 /nfs/dbraw/zinc/73/92/01/611739201.db2.gz CWPNDNKKFDCUNN-UHFFFAOYSA-N 1 2 337.420 0.309 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000950747221 611884408 /nfs/dbraw/zinc/88/44/08/611884408.db2.gz TWARCNHNSAPBHD-GJZGRUSLSA-N 1 2 326.400 0.576 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CC1)C[N@@H+]([C@H]1CCCNC1=O)CCO2 ZINC000949320158 611937907 /nfs/dbraw/zinc/93/79/07/611937907.db2.gz GTNVZKKRTRVUOK-KBPBESRZSA-N 1 2 334.420 0.118 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CC1)C[N@H+]([C@H]1CCCNC1=O)CCO2 ZINC000949320158 611937908 /nfs/dbraw/zinc/93/79/08/611937908.db2.gz GTNVZKKRTRVUOK-KBPBESRZSA-N 1 2 334.420 0.118 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCn4cncc4C3)CC2)C1 ZINC000949399232 611964636 /nfs/dbraw/zinc/96/46/36/611964636.db2.gz YQKGDUXWRGSPIL-MRXNPFEDSA-N 1 2 342.443 0.772 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCn4cncc4C3)CC2)C1 ZINC000949399232 611964638 /nfs/dbraw/zinc/96/46/38/611964638.db2.gz YQKGDUXWRGSPIL-MRXNPFEDSA-N 1 2 342.443 0.772 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)Cc3ccc(OC)cn3)CC2)C1 ZINC000949451277 611985717 /nfs/dbraw/zinc/98/57/17/611985717.db2.gz WVRDMKNXWVDNFV-UHFFFAOYSA-N 1 2 343.427 0.959 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)Cc3ccc(OC)cn3)CC2)C1 ZINC000949451277 611985719 /nfs/dbraw/zinc/98/57/19/611985719.db2.gz WVRDMKNXWVDNFV-UHFFFAOYSA-N 1 2 343.427 0.959 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ncn(C(C)(C)C)n3)CC2)C1 ZINC000949473190 611992820 /nfs/dbraw/zinc/99/28/20/611992820.db2.gz WAVSDKXVRMRKCY-UHFFFAOYSA-N 1 2 345.447 0.973 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ncn(C(C)(C)C)n3)CC2)C1 ZINC000949473190 611992821 /nfs/dbraw/zinc/99/28/21/611992821.db2.gz WAVSDKXVRMRKCY-UHFFFAOYSA-N 1 2 345.447 0.973 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC3(CC2)C[N@H+](CCF)CCO3)nn1 ZINC000949489802 612002783 /nfs/dbraw/zinc/00/27/83/612002783.db2.gz QZVPFFFIQNJCJN-UHFFFAOYSA-N 1 2 337.399 0.741 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC3(CC2)C[N@@H+](CCF)CCO3)nn1 ZINC000949489802 612002784 /nfs/dbraw/zinc/00/27/84/612002784.db2.gz QZVPFFFIQNJCJN-UHFFFAOYSA-N 1 2 337.399 0.741 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000951941090 612145826 /nfs/dbraw/zinc/14/58/26/612145826.db2.gz FMFBLAISGOJUOS-TZMCWYRMSA-N 1 2 338.371 0.758 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cn1 ZINC000951386090 612199108 /nfs/dbraw/zinc/19/91/08/612199108.db2.gz TXOTZEKDUFJNSQ-BZUAXINKSA-N 1 2 349.394 0.920 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cn1 ZINC000951386090 612199110 /nfs/dbraw/zinc/19/91/10/612199110.db2.gz TXOTZEKDUFJNSQ-BZUAXINKSA-N 1 2 349.394 0.920 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000953197383 612200938 /nfs/dbraw/zinc/20/09/38/612200938.db2.gz UTVCDXPVLMYFJC-YOEHRIQHSA-N 1 2 329.404 0.884 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC000953373630 612281537 /nfs/dbraw/zinc/28/15/37/612281537.db2.gz IZRWVLXQNBCFSK-DOTOQJQBSA-N 1 2 340.427 0.825 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](CCN2CCNC2=O)CC1 ZINC000951699705 612483516 /nfs/dbraw/zinc/48/35/16/612483516.db2.gz LKDAHCVHYXUUNS-GJZGRUSLSA-N 1 2 336.436 0.137 20 30 ECEDLO C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000956833662 612604876 /nfs/dbraw/zinc/60/48/76/612604876.db2.gz ZEKYCBIIHBMBKE-QGZVFWFLSA-N 1 2 340.387 0.963 20 30 ECEDLO C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000956833662 612604879 /nfs/dbraw/zinc/60/48/79/612604879.db2.gz ZEKYCBIIHBMBKE-QGZVFWFLSA-N 1 2 340.387 0.963 20 30 ECEDLO C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000956834157 612605858 /nfs/dbraw/zinc/60/58/58/612605858.db2.gz MJJRIDSZYBVZBI-QGZVFWFLSA-N 1 2 340.387 0.963 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000954791215 612685103 /nfs/dbraw/zinc/68/51/03/612685103.db2.gz NYENTBFDMKBDEC-LBPRGKRZSA-N 1 2 338.371 0.710 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000956129405 612729797 /nfs/dbraw/zinc/72/97/97/612729797.db2.gz FSBLQQFHKAAWRP-ZDUSSCGKSA-N 1 2 340.387 0.881 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCN2C(=O)Cc2[nH]cc[nH+]2)c1 ZINC000956178800 612761871 /nfs/dbraw/zinc/76/18/71/612761871.db2.gz IGZFTMCMJNMWPS-LBPRGKRZSA-N 1 2 326.360 0.573 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000955725925 612794558 /nfs/dbraw/zinc/79/45/58/612794558.db2.gz IBYDHBSNJAZGII-TZMCWYRMSA-N 1 2 340.387 0.892 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCCN2C(=O)Cc2c[nH+]c[nH]2)c1 ZINC000956255782 612802899 /nfs/dbraw/zinc/80/28/99/612802899.db2.gz HCYAPRFHVYZIKC-INIZCTEOSA-N 1 2 337.383 0.750 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)C3=COCCC3)CC2)C1 ZINC000956587902 612919602 /nfs/dbraw/zinc/91/96/02/612919602.db2.gz KHJUQJBDFXCYDR-HOCLYGCPSA-N 1 2 346.431 0.585 20 30 ECEDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncccc3C#N)C2)C1 ZINC001164718504 720215041 /nfs/dbraw/zinc/21/50/41/720215041.db2.gz MNUDMTBDIKZQGO-GOSISDBHSA-N 1 2 343.431 0.618 20 30 ECEDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncccc3C#N)C2)C1 ZINC001164718504 720215045 /nfs/dbraw/zinc/21/50/45/720215045.db2.gz MNUDMTBDIKZQGO-GOSISDBHSA-N 1 2 343.431 0.618 20 30 ECEDLO CC(C)N(CCN(C)c1ccc(C#N)nn1)C(=O)Cc1[nH]cc[nH+]1 ZINC001125567999 735482814 /nfs/dbraw/zinc/48/28/14/735482814.db2.gz HFRUYIKVJBOOJA-UHFFFAOYSA-N 1 2 327.392 0.987 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3n[nH]c4c3C[C@H](C)CC4)[C@H]2C1 ZINC001083237265 735523072 /nfs/dbraw/zinc/52/30/72/735523072.db2.gz UIMUOTWRPXGFDI-UHOFOFEASA-N 1 2 328.416 0.693 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3n[nH]c4c3C[C@H](C)CC4)[C@H]2C1 ZINC001083237265 735523074 /nfs/dbraw/zinc/52/30/74/735523074.db2.gz UIMUOTWRPXGFDI-UHOFOFEASA-N 1 2 328.416 0.693 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2nnn(C)n2)cc1 ZINC001025037350 738522645 /nfs/dbraw/zinc/52/26/45/738522645.db2.gz ALZMUTBLPJJVNL-MRXNPFEDSA-N 1 2 338.415 0.976 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2ccc3n[nH]cc3c2)[C@@H](n2ccnn2)C1 ZINC001069976819 790269590 /nfs/dbraw/zinc/26/95/90/790269590.db2.gz CPFHVLHGCSWMJU-SJORKVTESA-N 1 2 349.398 0.372 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2ccc3n[nH]cc3c2)[C@@H](n2ccnn2)C1 ZINC001069976819 790269593 /nfs/dbraw/zinc/26/95/93/790269593.db2.gz CPFHVLHGCSWMJU-SJORKVTESA-N 1 2 349.398 0.372 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnc(Cl)n2C)[C@@H](n2ccnn2)C1 ZINC001069979262 790271642 /nfs/dbraw/zinc/27/16/42/790271642.db2.gz FHPONVBHNLCLKS-YPMHNXCESA-N 1 2 347.810 0.344 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnc(Cl)n2C)[C@@H](n2ccnn2)C1 ZINC001069979262 790271647 /nfs/dbraw/zinc/27/16/47/790271647.db2.gz FHPONVBHNLCLKS-YPMHNXCESA-N 1 2 347.810 0.344 20 30 ECEDLO C=C(Br)C[NH2+][C@@H]1CCN(C(=O)C2=NC(=O)N(C)C2)C1 ZINC000969827701 732420828 /nfs/dbraw/zinc/42/08/28/732420828.db2.gz UUSMRVAHQHCXPF-SECBINFHSA-N 1 2 329.198 0.838 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nc(C(C)C)no3)C2)nn1 ZINC000970206289 733200771 /nfs/dbraw/zinc/20/07/71/733200771.db2.gz TWXPZTUIMSGTRB-GFCCVEGCSA-N 1 2 345.407 0.975 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(C)o3)C2)nn1 ZINC000970223991 733235141 /nfs/dbraw/zinc/23/51/41/733235141.db2.gz IBDADYULAZPYGD-GFCCVEGCSA-N 1 2 331.380 0.550 20 30 ECEDLO C[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970355741 733406075 /nfs/dbraw/zinc/40/60/75/733406075.db2.gz AGAJFRPFOKIVTI-BMIGLBTASA-N 1 2 345.378 0.315 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC000970420999 733493870 /nfs/dbraw/zinc/49/38/70/733493870.db2.gz UTIONKCUUXFEQQ-YUTCNCBUSA-N 1 2 343.855 0.811 20 30 ECEDLO N#Cc1ccc(N2CCO[C@@H](CNC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001104322062 734298487 /nfs/dbraw/zinc/29/84/87/734298487.db2.gz UULSMIQYLOCXJE-HNNXBMFYSA-N 1 2 326.360 0.171 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC000972084128 735625225 /nfs/dbraw/zinc/62/52/25/735625225.db2.gz YHLQFUPXTSPXKJ-HUUCEWRRSA-N 1 2 326.400 0.815 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)C3=NC(=O)N(C)C3)C2)C1=O ZINC000972246149 735834142 /nfs/dbraw/zinc/83/41/42/735834142.db2.gz OGVGDNGZXOYMDC-TZMCWYRMSA-N 1 2 347.419 0.059 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)C3=NC(=O)N(C)C3)C2)C1=O ZINC000972246149 735834147 /nfs/dbraw/zinc/83/41/47/735834147.db2.gz OGVGDNGZXOYMDC-TZMCWYRMSA-N 1 2 347.419 0.059 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 ZINC000972413600 736149726 /nfs/dbraw/zinc/14/97/26/736149726.db2.gz NFTGANZYEARMST-GOSISDBHSA-N 1 2 339.399 0.670 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 ZINC000972413600 736149729 /nfs/dbraw/zinc/14/97/29/736149729.db2.gz NFTGANZYEARMST-GOSISDBHSA-N 1 2 339.399 0.670 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnn(CCF)c3)C2)C1 ZINC000972437267 736195284 /nfs/dbraw/zinc/19/52/84/736195284.db2.gz ANLBPUBULVNHCZ-QGZVFWFLSA-N 1 2 334.395 0.793 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnn(CCF)c3)C2)C1 ZINC000972437267 736195286 /nfs/dbraw/zinc/19/52/86/736195286.db2.gz ANLBPUBULVNHCZ-QGZVFWFLSA-N 1 2 334.395 0.793 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4ncnn43)C2)C1 ZINC000972453091 736236074 /nfs/dbraw/zinc/23/60/74/736236074.db2.gz IXFLWFQPKJFZMP-KRWDZBQOSA-N 1 2 325.372 0.279 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4ncnn43)C2)C1 ZINC000972453091 736236075 /nfs/dbraw/zinc/23/60/75/736236075.db2.gz IXFLWFQPKJFZMP-KRWDZBQOSA-N 1 2 325.372 0.279 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nncn4CC3)C2)C1 ZINC000972471382 736280574 /nfs/dbraw/zinc/28/05/74/736280574.db2.gz IYMJVLCNZKJLME-CRAIPNDOSA-N 1 2 345.447 0.720 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nncn4CC3)C2)C1 ZINC000972471382 736280578 /nfs/dbraw/zinc/28/05/78/736280578.db2.gz IYMJVLCNZKJLME-CRAIPNDOSA-N 1 2 345.447 0.720 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cn3)C2)C1 ZINC000972520117 736544820 /nfs/dbraw/zinc/54/48/20/736544820.db2.gz PAZWMWKXZHGHTR-IBGZPJMESA-N 1 2 343.427 0.959 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cn3)C2)C1 ZINC000972520117 736544822 /nfs/dbraw/zinc/54/48/22/736544822.db2.gz PAZWMWKXZHGHTR-IBGZPJMESA-N 1 2 343.427 0.959 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccoc3CC(N)=O)C2)C1 ZINC000972523673 736567624 /nfs/dbraw/zinc/56/76/24/736567624.db2.gz KVVYFGTWEKAQMM-KRWDZBQOSA-N 1 2 333.388 0.410 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccoc3CC(N)=O)C2)C1 ZINC000972523673 736567626 /nfs/dbraw/zinc/56/76/26/736567626.db2.gz KVVYFGTWEKAQMM-KRWDZBQOSA-N 1 2 333.388 0.410 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)Oc3cccnc3)C2)C1 ZINC000972542908 736652906 /nfs/dbraw/zinc/65/29/06/736652906.db2.gz FUYOSDSLRCMBAK-QAPCUYQASA-N 1 2 329.400 0.785 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)Oc3cccnc3)C2)C1 ZINC000972542908 736652907 /nfs/dbraw/zinc/65/29/07/736652907.db2.gz FUYOSDSLRCMBAK-QAPCUYQASA-N 1 2 329.400 0.785 20 30 ECEDLO Cn1ncnc1C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001023318351 736673548 /nfs/dbraw/zinc/67/35/48/736673548.db2.gz GWVJVWZDRRUXAJ-LBPRGKRZSA-N 1 2 327.392 0.657 20 30 ECEDLO Cn1ncnc1C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001023318351 736673550 /nfs/dbraw/zinc/67/35/50/736673550.db2.gz GWVJVWZDRRUXAJ-LBPRGKRZSA-N 1 2 327.392 0.657 20 30 ECEDLO Cn1ncc(C[N@@H+]2CCC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001023315312 736676347 /nfs/dbraw/zinc/67/63/47/736676347.db2.gz WJAMGZYNESEHOL-GFCCVEGCSA-N 1 2 327.392 0.657 20 30 ECEDLO Cn1ncc(C[N@H+]2CCC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001023315312 736676354 /nfs/dbraw/zinc/67/63/54/736676354.db2.gz WJAMGZYNESEHOL-GFCCVEGCSA-N 1 2 327.392 0.657 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001023318746 736678725 /nfs/dbraw/zinc/67/87/25/736678725.db2.gz MAUFPDNZHFPXBV-NWDGAFQWSA-N 1 2 342.407 0.613 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@H+]1CCC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001023318746 736678729 /nfs/dbraw/zinc/67/87/29/736678729.db2.gz MAUFPDNZHFPXBV-NWDGAFQWSA-N 1 2 342.407 0.613 20 30 ECEDLO Cn1cnnc1C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001023318865 736678807 /nfs/dbraw/zinc/67/88/07/736678807.db2.gz OYGBXHJVKYNDGE-LBPRGKRZSA-N 1 2 327.392 0.657 20 30 ECEDLO Cn1cnnc1C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001023318865 736678809 /nfs/dbraw/zinc/67/88/09/736678809.db2.gz OYGBXHJVKYNDGE-LBPRGKRZSA-N 1 2 327.392 0.657 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc4cccnn43)C2)C1 ZINC000972582957 736949480 /nfs/dbraw/zinc/94/94/80/736949480.db2.gz PPYJCIOYWCQNLW-QGZVFWFLSA-N 1 2 325.372 0.279 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc4cccnn43)C2)C1 ZINC000972582957 736949484 /nfs/dbraw/zinc/94/94/84/736949484.db2.gz PPYJCIOYWCQNLW-QGZVFWFLSA-N 1 2 325.372 0.279 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ncnn3C)C2)c1 ZINC001023582624 737033344 /nfs/dbraw/zinc/03/33/44/737033344.db2.gz MNDAPBDYMXOGDS-HNNXBMFYSA-N 1 2 338.415 0.833 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ncnn3C)C2)c1 ZINC001023582624 737033347 /nfs/dbraw/zinc/03/33/47/737033347.db2.gz MNDAPBDYMXOGDS-HNNXBMFYSA-N 1 2 338.415 0.833 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCN(C(C)=O)C3)C2)C1 ZINC000972628481 737153830 /nfs/dbraw/zinc/15/38/30/737153830.db2.gz SJENLRPREOZZGD-ROUUACIJSA-N 1 2 335.448 0.734 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCN(C(C)=O)C3)C2)C1 ZINC000972628481 737153832 /nfs/dbraw/zinc/15/38/32/737153832.db2.gz SJENLRPREOZZGD-ROUUACIJSA-N 1 2 335.448 0.734 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)N3CCCC3=O)C2)C1 ZINC000972636118 737188021 /nfs/dbraw/zinc/18/80/21/737188021.db2.gz XIWOZLVLJXRWIH-YJBOKZPZSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)N3CCCC3=O)C2)C1 ZINC000972636118 737188024 /nfs/dbraw/zinc/18/80/24/737188024.db2.gz XIWOZLVLJXRWIH-YJBOKZPZSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H](C)N3CCCC3=O)C2)C1 ZINC000972636116 737188052 /nfs/dbraw/zinc/18/80/52/737188052.db2.gz XIWOZLVLJXRWIH-MAUKXSAKSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H](C)N3CCCC3=O)C2)C1 ZINC000972636116 737188055 /nfs/dbraw/zinc/18/80/55/737188055.db2.gz XIWOZLVLJXRWIH-MAUKXSAKSA-N 1 2 333.432 0.324 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4n[nH]nc4C3)C2)C1 ZINC000972638238 737197735 /nfs/dbraw/zinc/19/77/35/737197735.db2.gz IEEJNVMAPKZYCK-CXAGYDPISA-N 1 2 331.420 0.399 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4n[nH]nc4C3)C2)C1 ZINC000972638238 737197736 /nfs/dbraw/zinc/19/77/36/737197736.db2.gz IEEJNVMAPKZYCK-CXAGYDPISA-N 1 2 331.420 0.399 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN3C(=O)C(C)C)C2)C1 ZINC000972673622 737342934 /nfs/dbraw/zinc/34/29/34/737342934.db2.gz KBNORIAMVYMOGV-QFBILLFUSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN3C(=O)C(C)C)C2)C1 ZINC000972673622 737342939 /nfs/dbraw/zinc/34/29/39/737342939.db2.gz KBNORIAMVYMOGV-QFBILLFUSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc4c([nH]c3=O)CCC4)C2)C1 ZINC000972676314 737350510 /nfs/dbraw/zinc/35/05/10/737350510.db2.gz JBLCFQRYCVOESY-IBGZPJMESA-N 1 2 341.411 0.826 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc4c([nH]c3=O)CCC4)C2)C1 ZINC000972676314 737350514 /nfs/dbraw/zinc/35/05/14/737350514.db2.gz JBLCFQRYCVOESY-IBGZPJMESA-N 1 2 341.411 0.826 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nncn4C3)C2)C1 ZINC000972687545 737377645 /nfs/dbraw/zinc/37/76/45/737377645.db2.gz HPZMHAZREONURC-YOEHRIQHSA-N 1 2 331.420 0.330 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nncn4C3)C2)C1 ZINC000972687545 737377647 /nfs/dbraw/zinc/37/76/47/737377647.db2.gz HPZMHAZREONURC-YOEHRIQHSA-N 1 2 331.420 0.330 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)cs3)C2)C1 ZINC000972693734 737400582 /nfs/dbraw/zinc/40/05/82/737400582.db2.gz IPRLBTWMLVMBHR-QGZVFWFLSA-N 1 2 347.440 0.787 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)cs3)C2)C1 ZINC000972693734 737400585 /nfs/dbraw/zinc/40/05/85/737400585.db2.gz IPRLBTWMLVMBHR-QGZVFWFLSA-N 1 2 347.440 0.787 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CC(=O)NC2CC2)nc1 ZINC001024764340 738276243 /nfs/dbraw/zinc/27/62/43/738276243.db2.gz PIEVTIVBEZVBOT-MRXNPFEDSA-N 1 2 340.427 0.926 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(=O)NC2CC2)nc1 ZINC001024764340 738276245 /nfs/dbraw/zinc/27/62/45/738276245.db2.gz PIEVTIVBEZVBOT-MRXNPFEDSA-N 1 2 340.427 0.926 20 30 ECEDLO C[C@H](CNc1ccnc(C#N)n1)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001104605170 739177397 /nfs/dbraw/zinc/17/73/97/739177397.db2.gz YLMNCGZUVNGAPK-CYBMUJFWSA-N 1 2 327.392 0.706 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccn(C)n2)nn1 ZINC001028188319 751423139 /nfs/dbraw/zinc/42/31/39/751423139.db2.gz ZPBCDKCDTODJML-CQSZACIVSA-N 1 2 329.408 0.592 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccn(C)n2)nn1 ZINC001028188319 751423141 /nfs/dbraw/zinc/42/31/41/751423141.db2.gz ZPBCDKCDTODJML-CQSZACIVSA-N 1 2 329.408 0.592 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC3(C2)CCC[N@@H+](Cc2nc(=O)n(C)[nH]2)C3)C1 ZINC000982000946 751439660 /nfs/dbraw/zinc/43/96/60/751439660.db2.gz NULYABMINCLISJ-UHFFFAOYSA-N 1 2 345.447 0.889 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC3(C2)CCC[N@H+](Cc2nc(=O)n(C)[nH]2)C3)C1 ZINC000982000946 751439662 /nfs/dbraw/zinc/43/96/62/751439662.db2.gz NULYABMINCLISJ-UHFFFAOYSA-N 1 2 345.447 0.889 20 30 ECEDLO C[C@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001104729991 739544815 /nfs/dbraw/zinc/54/48/15/739544815.db2.gz OKOZMIBAFWTIOF-OLZOCXBDSA-N 1 2 339.403 0.488 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775375 739943216 /nfs/dbraw/zinc/94/32/16/739943216.db2.gz TWJXNKORXJYEHE-NZFPMDFQSA-N 1 2 330.182 0.607 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775375 739943221 /nfs/dbraw/zinc/94/32/21/739943221.db2.gz TWJXNKORXJYEHE-NZFPMDFQSA-N 1 2 330.182 0.607 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001025801395 739970327 /nfs/dbraw/zinc/97/03/27/739970327.db2.gz PFMVXOONEFIZEG-VXGBXAGGSA-N 1 2 340.811 0.419 20 30 ECEDLO CN(C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)c1ccnc(C#N)n1 ZINC001058692398 740521517 /nfs/dbraw/zinc/52/15/17/740521517.db2.gz YTNXXUUGCSFCBF-CQSZACIVSA-N 1 2 339.403 0.920 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000974049359 740839836 /nfs/dbraw/zinc/83/98/36/740839836.db2.gz LJXZRRNXJNJNOR-TXEJJXNPSA-N 1 2 326.360 0.240 20 30 ECEDLO C=CCn1cc(C(=O)N2CCCN(Cc3c[nH+]cn3C)CC2)nn1 ZINC000982112837 751606106 /nfs/dbraw/zinc/60/61/06/751606106.db2.gz BQLKBFVLXJLZPA-UHFFFAOYSA-N 1 2 329.408 0.546 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[N@@H+](Cc3cncn3C)CC2)nn1 ZINC000982112837 751606109 /nfs/dbraw/zinc/60/61/09/751606109.db2.gz BQLKBFVLXJLZPA-UHFFFAOYSA-N 1 2 329.408 0.546 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[N@H+](Cc3cncn3C)CC2)nn1 ZINC000982112837 751606115 /nfs/dbraw/zinc/60/61/15/751606115.db2.gz BQLKBFVLXJLZPA-UHFFFAOYSA-N 1 2 329.408 0.546 20 30 ECEDLO C#CCNC(=O)CC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@H](C)C1 ZINC001105039576 741222622 /nfs/dbraw/zinc/22/26/22/741222622.db2.gz DFRZRSOIQLFHIG-TZMCWYRMSA-N 1 2 329.404 0.573 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[NH2+]Cc1cn(C2CN(C(C)=O)C2)nn1 ZINC001105133290 741405713 /nfs/dbraw/zinc/40/57/13/741405713.db2.gz ZUHMXMNRVDHKNS-UHFFFAOYSA-N 1 2 334.424 0.196 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccnn3CC)C2)nn1 ZINC001105219505 741484004 /nfs/dbraw/zinc/48/40/04/741484004.db2.gz CGUPWOGEWBHYLJ-UHFFFAOYSA-N 1 2 327.392 0.305 20 30 ECEDLO CC/C(C)=C/C(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105235353 741526262 /nfs/dbraw/zinc/52/62/62/741526262.db2.gz AVXJXRRDNUMNRC-NTEUORMPSA-N 1 2 331.420 0.757 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)[C@H](C)COC)C2)nn1 ZINC001105259657 741581529 /nfs/dbraw/zinc/58/15/29/741581529.db2.gz HESUNSITYOMDDH-ZIAGYGMSSA-N 1 2 333.436 0.693 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc4ccccc4n3)C2)nn1 ZINC001105262227 741588769 /nfs/dbraw/zinc/58/87/69/741588769.db2.gz PGXQEQVNLNPOBB-UHFFFAOYSA-N 1 2 347.382 0.641 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)cc(=O)oc3C)C2)nn1 ZINC001105278442 741633436 /nfs/dbraw/zinc/63/34/36/741633436.db2.gz DFYDOGBRVLMBDB-UHFFFAOYSA-N 1 2 341.371 0.268 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc4ccc(C)cn43)C2)nn1 ZINC001105280880 741637432 /nfs/dbraw/zinc/63/74/32/741637432.db2.gz IESFLGRXDLTTJL-UHFFFAOYSA-N 1 2 349.398 0.654 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc4cnccc4c3)C2)nn1 ZINC001105283427 741641215 /nfs/dbraw/zinc/64/12/15/741641215.db2.gz MWVIPMHFDVKYBE-UHFFFAOYSA-N 1 2 347.382 0.641 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC(n2cc(C[NH2+][C@@H]3CCNC3=O)nn2)C1 ZINC001105309733 741718226 /nfs/dbraw/zinc/71/82/26/741718226.db2.gz ALQXMWZINZFIEH-SWLSCSKDSA-N 1 2 346.435 0.242 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C3(c4cccnc4)CC3)C2)nn1 ZINC001105312300 741724663 /nfs/dbraw/zinc/72/46/63/741724663.db2.gz JPDOPGPGOOUIKZ-UHFFFAOYSA-N 1 2 336.399 0.511 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccc(F)c3F)C2)nn1 ZINC001105315205 741742762 /nfs/dbraw/zinc/74/27/62/741742762.db2.gz BGXKRQNNGNQBLS-UHFFFAOYSA-N 1 2 331.326 0.976 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CC(n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001105318525 741767783 /nfs/dbraw/zinc/76/77/83/741767783.db2.gz DCLWLWRHMNTVTM-INIZCTEOSA-N 1 2 334.424 0.099 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCOCC(C)C)C2)nn1 ZINC001098622509 741854424 /nfs/dbraw/zinc/85/44/24/741854424.db2.gz KLALRDNHIPDAPD-MRXNPFEDSA-N 1 2 333.436 0.837 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@H]21 ZINC000974969647 742396917 /nfs/dbraw/zinc/39/69/17/742396917.db2.gz KBCWEJIMDCGVDO-UMVBOHGHSA-N 1 2 329.404 0.572 20 30 ECEDLO C=CCCCC[NH+]1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001167772124 742561614 /nfs/dbraw/zinc/56/16/14/742561614.db2.gz HCGJKINSHVYORH-HNNXBMFYSA-N 1 2 343.493 0.264 20 30 ECEDLO CN(C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(=O)c1c[nH]c(C#N)c1 ZINC000988268429 751766443 /nfs/dbraw/zinc/76/64/43/751766443.db2.gz JGJGHCWWWBWDCQ-LBPRGKRZSA-N 1 2 340.387 0.773 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000975562966 743077429 /nfs/dbraw/zinc/07/74/29/743077429.db2.gz XKDORSIFULYSCE-ZNMIVQPWSA-N 1 2 346.431 0.898 20 30 ECEDLO Cc1cc(CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)n[nH]1 ZINC001083402020 743383227 /nfs/dbraw/zinc/38/32/27/743383227.db2.gz JRRAMPYCSAVMDD-SJORKVTESA-N 1 2 339.399 0.494 20 30 ECEDLO Cc1cc(CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)n[nH]1 ZINC001083402020 743383232 /nfs/dbraw/zinc/38/32/32/743383232.db2.gz JRRAMPYCSAVMDD-SJORKVTESA-N 1 2 339.399 0.494 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(N(C)C)ccn3)C2)nn1 ZINC001105381103 743438203 /nfs/dbraw/zinc/43/82/03/743438203.db2.gz NRARZACSNRZDRG-UHFFFAOYSA-N 1 2 339.403 0.159 20 30 ECEDLO CC(C)(C)[C@@H](CNc1ccnc(C#N)n1)NC(=O)CCn1cc[nH+]c1 ZINC001126038574 743453834 /nfs/dbraw/zinc/45/38/34/743453834.db2.gz UDNREAXRCAIMCA-CYBMUJFWSA-N 1 2 341.419 1.000 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](OC)C3CCC3)C2)nn1 ZINC001098694698 743466932 /nfs/dbraw/zinc/46/69/32/743466932.db2.gz HFLQWNKDRGYANS-JKSUJKDBSA-N 1 2 331.420 0.589 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001059867909 751831808 /nfs/dbraw/zinc/83/18/08/751831808.db2.gz YUBDLGRLYQLGJL-PBHICJAKSA-N 1 2 334.420 0.565 20 30 ECEDLO C=C1CC(C)(C(=O)N(CCO)CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001058771012 744083996 /nfs/dbraw/zinc/08/39/96/744083996.db2.gz NSGPUVVHCVAKCX-CQSZACIVSA-N 1 2 348.447 0.882 20 30 ECEDLO C=C1CC(C)(C(=O)N(CCO)CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001058771012 744083999 /nfs/dbraw/zinc/08/39/99/744083999.db2.gz NSGPUVVHCVAKCX-CQSZACIVSA-N 1 2 348.447 0.882 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)cnn1 ZINC001083429297 751937893 /nfs/dbraw/zinc/93/78/93/751937893.db2.gz UGDNRTOUNQQJJK-SJORKVTESA-N 1 2 337.383 0.632 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)cnn1 ZINC001083429297 751937899 /nfs/dbraw/zinc/93/78/99/751937899.db2.gz UGDNRTOUNQQJJK-SJORKVTESA-N 1 2 337.383 0.632 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000977162519 744714733 /nfs/dbraw/zinc/71/47/33/744714733.db2.gz RRELSRWYJVPPMZ-WVZRYYJFSA-N 1 2 338.411 0.816 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2C[N@@H+](CC(=O)NC)CC2(C)C)nn1 ZINC000977284375 744841655 /nfs/dbraw/zinc/84/16/55/744841655.db2.gz JHXUQIWQPYAQIK-ZDUSSCGKSA-N 1 2 334.424 0.040 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2C[N@H+](CC(=O)NC)CC2(C)C)nn1 ZINC000977284375 744841659 /nfs/dbraw/zinc/84/16/59/744841659.db2.gz JHXUQIWQPYAQIK-ZDUSSCGKSA-N 1 2 334.424 0.040 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)C(C)(C)C1 ZINC000977360051 744875769 /nfs/dbraw/zinc/87/57/69/744875769.db2.gz FFWXDRYBLAYMON-SNVBAGLBSA-N 1 2 328.800 0.117 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)C(C)(C)C1 ZINC000977360051 744875771 /nfs/dbraw/zinc/87/57/71/744875771.db2.gz FFWXDRYBLAYMON-SNVBAGLBSA-N 1 2 328.800 0.117 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001027524886 745005403 /nfs/dbraw/zinc/00/54/03/745005403.db2.gz RRWKXIWVRKZTEU-RYUDHWBXSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001027524886 745005408 /nfs/dbraw/zinc/00/54/08/745005408.db2.gz RRWKXIWVRKZTEU-RYUDHWBXSA-N 1 2 344.253 0.954 20 30 ECEDLO CC#CC[N@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(N)=O)C1 ZINC001087477886 745028551 /nfs/dbraw/zinc/02/85/51/745028551.db2.gz NWHYXIGZZPUJTE-ZFWWWQNUSA-N 1 2 347.390 0.617 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(N)=O)C1 ZINC001087477886 745028558 /nfs/dbraw/zinc/02/85/58/745028558.db2.gz NWHYXIGZZPUJTE-ZFWWWQNUSA-N 1 2 347.390 0.617 20 30 ECEDLO C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001058784966 745145527 /nfs/dbraw/zinc/14/55/27/745145527.db2.gz JMIQXTKSIRWESV-CQSZACIVSA-N 1 2 346.431 0.570 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cc(C)n(C)n3)C2)nn1 ZINC001098626433 745165572 /nfs/dbraw/zinc/16/55/72/745165572.db2.gz RALSUGATKPQJKO-CQSZACIVSA-N 1 2 327.392 0.130 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)C(C)(C)C1 ZINC000977553833 745176531 /nfs/dbraw/zinc/17/65/31/745176531.db2.gz PWMRHZGAAPPEBT-KBPBESRZSA-N 1 2 343.855 0.813 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)C(C)(C)C1 ZINC000977553833 745176533 /nfs/dbraw/zinc/17/65/33/745176533.db2.gz PWMRHZGAAPPEBT-KBPBESRZSA-N 1 2 343.855 0.813 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001000009915 745177812 /nfs/dbraw/zinc/17/78/12/745177812.db2.gz SJAVGZLNHIOOOG-KGLIPLIRSA-N 1 2 332.404 0.271 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001098697610 745233505 /nfs/dbraw/zinc/23/35/05/745233505.db2.gz JLKHKGUCOBFKIV-TZMCWYRMSA-N 1 2 348.451 0.617 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C)n(C(C)C)n3)C2)nn1 ZINC001105384774 745256534 /nfs/dbraw/zinc/25/65/34/745256534.db2.gz ORLOGCRFUGPOLW-UHFFFAOYSA-N 1 2 341.419 0.784 20 30 ECEDLO CN(C[C@H]1CCN1C(=O)Cn1cc[nH+]c1)C(=O)c1ccc(C#N)[nH]1 ZINC000977610330 745265918 /nfs/dbraw/zinc/26/59/18/745265918.db2.gz ZZLGYQVBJJAIFI-CYBMUJFWSA-N 1 2 326.360 0.456 20 30 ECEDLO C=CCCn1cc(C(=O)NCCC[NH2+]Cc2noc(CC)n2)nn1 ZINC001167991655 745274455 /nfs/dbraw/zinc/27/44/55/745274455.db2.gz NEJAMFNHAMCROL-UHFFFAOYSA-N 1 2 333.396 0.709 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2C(C)=O)C(C)(C)C1 ZINC000977617968 745300883 /nfs/dbraw/zinc/30/08/83/745300883.db2.gz PIYFNOYHYGSNBU-UONOGXRCSA-N 1 2 343.855 0.813 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2COCCN2C(C)=O)C(C)(C)C1 ZINC000977617968 745300890 /nfs/dbraw/zinc/30/08/90/745300890.db2.gz PIYFNOYHYGSNBU-UONOGXRCSA-N 1 2 343.855 0.813 20 30 ECEDLO C=CCn1cc(C(=O)N(C)C[C@H]2CCN2C(=O)Cc2c[nH+]c[nH]2)nn1 ZINC000977728772 745446781 /nfs/dbraw/zinc/44/67/81/745446781.db2.gz CCKKXIISVCQOOG-CYBMUJFWSA-N 1 2 343.391 0.103 20 30 ECEDLO N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)NC2CC2)[nH]1 ZINC001029274045 745500805 /nfs/dbraw/zinc/50/08/05/745500805.db2.gz HRKZOLHQGURYFQ-OKILXGFUSA-N 1 2 327.388 0.454 20 30 ECEDLO N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NC2CC2)[nH]1 ZINC001029274045 745500810 /nfs/dbraw/zinc/50/08/10/745500810.db2.gz HRKZOLHQGURYFQ-OKILXGFUSA-N 1 2 327.388 0.454 20 30 ECEDLO C#CCNC(=O)CC(=O)N[C@@H](C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001126725062 752008972 /nfs/dbraw/zinc/00/89/72/752008972.db2.gz ZTNMGFGSOMIGIU-ZDUSSCGKSA-N 1 2 343.431 0.646 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000977799264 745520141 /nfs/dbraw/zinc/52/01/41/745520141.db2.gz UQLOAZXUULWNAI-ZQIUZPCESA-N 1 2 346.431 0.993 20 30 ECEDLO Cn1nncc1C[N@H+]1CC=C(CNC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001000589338 745621012 /nfs/dbraw/zinc/62/10/12/745621012.db2.gz XLVVEPQNSDMOQL-UHFFFAOYSA-N 1 2 325.376 0.577 20 30 ECEDLO Cn1nncc1C[N@@H+]1CC=C(CNC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001000589338 745621018 /nfs/dbraw/zinc/62/10/18/745621018.db2.gz XLVVEPQNSDMOQL-UHFFFAOYSA-N 1 2 325.376 0.577 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CCCOC)[C@H](OC)C2)C1=O ZINC001211935260 752046618 /nfs/dbraw/zinc/04/66/18/752046618.db2.gz PLZGJTMRUTYBDL-RBSFLKMASA-N 1 2 339.436 0.015 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CCCOC)[C@H](OC)C2)C1=O ZINC001211935260 752046629 /nfs/dbraw/zinc/04/66/29/752046629.db2.gz PLZGJTMRUTYBDL-RBSFLKMASA-N 1 2 339.436 0.015 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cnn(C)n3)C[C@H]21 ZINC000978163114 745975826 /nfs/dbraw/zinc/97/58/26/745975826.db2.gz DBIZWKKECSWSII-MTSZKFMLSA-N 1 2 345.447 0.590 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cnn(C)n3)C[C@H]21 ZINC000978163114 745975830 /nfs/dbraw/zinc/97/58/30/745975830.db2.gz DBIZWKKECSWSII-MTSZKFMLSA-N 1 2 345.447 0.590 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3ocnc3C)C2)C1=O ZINC001007020914 752050534 /nfs/dbraw/zinc/05/05/34/752050534.db2.gz PEDCMDJACWDQCF-ZIAGYGMSSA-N 1 2 332.404 0.964 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3ocnc3C)C2)C1=O ZINC001007020914 752050539 /nfs/dbraw/zinc/05/05/39/752050539.db2.gz PEDCMDJACWDQCF-ZIAGYGMSSA-N 1 2 332.404 0.964 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCSCC)[C@H](OC)C1 ZINC001211941897 752063776 /nfs/dbraw/zinc/06/37/76/752063776.db2.gz BRCCLAYZRIDDEO-BFHYXJOUSA-N 1 2 343.493 0.636 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCSCC)[C@H](OC)C1 ZINC001211941897 752063782 /nfs/dbraw/zinc/06/37/82/752063782.db2.gz BRCCLAYZRIDDEO-BFHYXJOUSA-N 1 2 343.493 0.636 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cnn(C)n4)C[C@H]32)cc1 ZINC000978576062 746454273 /nfs/dbraw/zinc/45/42/73/746454273.db2.gz UGUWDZFLULWOMG-NNZMDNLPSA-N 1 2 335.411 0.904 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cnn(C)n4)C[C@H]32)cc1 ZINC000978576062 746454277 /nfs/dbraw/zinc/45/42/77/746454277.db2.gz UGUWDZFLULWOMG-NNZMDNLPSA-N 1 2 335.411 0.904 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nnnn4C)C[C@H]32)cc1 ZINC000978579343 746458585 /nfs/dbraw/zinc/45/85/85/746458585.db2.gz FRQRXKQYUBSZOL-PHZGNYQRSA-N 1 2 336.399 0.299 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nnnn4C)C[C@H]32)cc1 ZINC000978579343 746458589 /nfs/dbraw/zinc/45/85/89/746458589.db2.gz FRQRXKQYUBSZOL-PHZGNYQRSA-N 1 2 336.399 0.299 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1CC ZINC001087840406 746464425 /nfs/dbraw/zinc/46/44/25/746464425.db2.gz WGQDUONMUNKQOH-CMPLNLGQSA-N 1 2 340.815 0.099 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1CC ZINC001087840406 746464429 /nfs/dbraw/zinc/46/44/29/746464429.db2.gz WGQDUONMUNKQOH-CMPLNLGQSA-N 1 2 340.815 0.099 20 30 ECEDLO C=CCCCC(=O)N1CC[C@H](n2cc(C[NH2+][C@@H](CC)C(N)=O)nn2)C1 ZINC001098710570 746690359 /nfs/dbraw/zinc/69/03/59/746690359.db2.gz GSMHGWNZXJLAHB-GJZGRUSLSA-N 1 2 348.451 0.761 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCO[C@H]1C1CCN(C(C)=O)CC1 ZINC001001788384 746723927 /nfs/dbraw/zinc/72/39/27/746723927.db2.gz BGFWTGNLLOCZPO-SQNIBIBYSA-N 1 2 347.459 0.616 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCO[C@H]1C1CCN(C(C)=O)CC1 ZINC001001788384 746723929 /nfs/dbraw/zinc/72/39/29/746723929.db2.gz BGFWTGNLLOCZPO-SQNIBIBYSA-N 1 2 347.459 0.616 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nncs4)C[C@H]32)nn1 ZINC000978821194 746749400 /nfs/dbraw/zinc/74/94/00/746749400.db2.gz VRMSMSDCEFLYAI-CNDDSTCGSA-N 1 2 345.432 0.423 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nncs4)C[C@H]32)nn1 ZINC000978821194 746749403 /nfs/dbraw/zinc/74/94/03/746749403.db2.gz VRMSMSDCEFLYAI-CNDDSTCGSA-N 1 2 345.432 0.423 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CSC(C)C)[C@H](OC)C1 ZINC001211888819 747127409 /nfs/dbraw/zinc/12/74/09/747127409.db2.gz QBXCGGUITJULLJ-MGPQQGTHSA-N 1 2 343.493 0.634 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CSC(C)C)[C@H](OC)C1 ZINC001211888819 747127411 /nfs/dbraw/zinc/12/74/11/747127411.db2.gz QBXCGGUITJULLJ-MGPQQGTHSA-N 1 2 343.493 0.634 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000985062849 747311211 /nfs/dbraw/zinc/31/12/11/747311211.db2.gz DHXNZNUKMIQMEC-DZGCQCFKSA-N 1 2 340.387 0.892 20 30 ECEDLO Cc1noc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)n1 ZINC000979262061 747486990 /nfs/dbraw/zinc/48/69/90/747486990.db2.gz CFQICSIEJDJOQK-HZMBPMFUSA-N 1 2 344.375 0.597 20 30 ECEDLO C[C@@H]([NH2+]Cc1cnsn1)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979284657 747533268 /nfs/dbraw/zinc/53/32/68/747533268.db2.gz ZNFVMTUWCOFAMF-QMTHXVAHSA-N 1 2 346.416 0.757 20 30 ECEDLO C=C1CCC(C(=O)N2CC[C@@H](n3cc(C[NH2+]CC(N)=O)nn3)C2)CC1 ZINC001098723158 747714202 /nfs/dbraw/zinc/71/42/02/747714202.db2.gz VBISDBIUFFFNQW-OAHLLOKOSA-N 1 2 346.435 0.373 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3conc3CC)C2)nn1 ZINC001098723267 747733067 /nfs/dbraw/zinc/73/30/67/747733067.db2.gz WPSKIPSXVFVMJI-CYBMUJFWSA-N 1 2 328.376 0.639 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CCCO3)[C@@H](O)C2)cc1C#N ZINC001083326969 752207474 /nfs/dbraw/zinc/20/74/74/752207474.db2.gz XEWSPEKMYBDIPL-HLLBOEOZSA-N 1 2 345.399 0.407 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CCCO3)[C@@H](O)C2)cc1C#N ZINC001083326969 752207482 /nfs/dbraw/zinc/20/74/82/752207482.db2.gz XEWSPEKMYBDIPL-HLLBOEOZSA-N 1 2 345.399 0.407 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3nccc(C)n3)C2)C1=O ZINC001007235631 752214019 /nfs/dbraw/zinc/21/40/19/752214019.db2.gz OOASSIIKUYCGOJ-HUUCEWRRSA-N 1 2 343.431 0.766 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3nccc(C)n3)C2)C1=O ZINC001007235631 752214026 /nfs/dbraw/zinc/21/40/26/752214026.db2.gz OOASSIIKUYCGOJ-HUUCEWRRSA-N 1 2 343.431 0.766 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)COC(C)C)[C@H](OC)C2)C1=O ZINC001211982071 752223835 /nfs/dbraw/zinc/22/38/35/752223835.db2.gz MHRINQYMEXMZKW-RBSFLKMASA-N 1 2 339.436 0.014 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)COC(C)C)[C@H](OC)C2)C1=O ZINC001211982071 752223841 /nfs/dbraw/zinc/22/38/41/752223841.db2.gz MHRINQYMEXMZKW-RBSFLKMASA-N 1 2 339.436 0.014 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c[nH]1 ZINC000979659972 748176148 /nfs/dbraw/zinc/17/61/48/748176148.db2.gz CBECEBGHFQIJBD-UMSPYCQHSA-N 1 2 326.360 0.477 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001003261645 748356275 /nfs/dbraw/zinc/35/62/75/748356275.db2.gz YLRXMYFAVRUJPF-GFCCVEGCSA-N 1 2 338.371 0.615 20 30 ECEDLO CC[C@H](OC)C(=O)N1CC[C@@H](n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001098630656 748587677 /nfs/dbraw/zinc/58/76/77/748587677.db2.gz VMQWAOLIKMUKFL-CVEARBPZSA-N 1 2 349.435 0.216 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)[C@H]1C ZINC001088602157 752289883 /nfs/dbraw/zinc/28/98/83/752289883.db2.gz XQXMDGRQGMTONV-WOPDTQHZSA-N 1 2 327.812 0.855 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)[C@H]1C ZINC001088602157 752289891 /nfs/dbraw/zinc/28/98/91/752289891.db2.gz XQXMDGRQGMTONV-WOPDTQHZSA-N 1 2 327.812 0.855 20 30 ECEDLO C=C(C)CC[NH+]1CCC(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001003805953 748918568 /nfs/dbraw/zinc/91/85/68/748918568.db2.gz HTWAJRGYRZBVCF-UHFFFAOYSA-N 1 2 344.419 0.618 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC000980081439 748950556 /nfs/dbraw/zinc/95/05/56/748950556.db2.gz NFPPIYHYILWPIE-NNUKFRKNSA-N 1 2 337.383 0.653 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3ncnn3C)C2)nn1 ZINC001029860048 748960606 /nfs/dbraw/zinc/96/06/06/748960606.db2.gz LLBBLCGBHZGYSD-ZDUSSCGKSA-N 1 2 344.423 0.187 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3ncnn3C)C2)nn1 ZINC001029860048 748960612 /nfs/dbraw/zinc/96/06/12/748960612.db2.gz LLBBLCGBHZGYSD-ZDUSSCGKSA-N 1 2 344.423 0.187 20 30 ECEDLO C=CCOCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001051335672 761909441 /nfs/dbraw/zinc/90/94/41/761909441.db2.gz SNPSJQFDJXPMGY-GJZGRUSLSA-N 1 2 348.447 0.909 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3cc(C)no3)CC2)CC1 ZINC000985824042 749176463 /nfs/dbraw/zinc/17/64/63/749176463.db2.gz AVUJANGPZNHTHC-UHFFFAOYSA-N 1 2 347.419 0.664 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3nnnn3C)C2)nc1 ZINC001029889919 749448258 /nfs/dbraw/zinc/44/82/58/749448258.db2.gz SGNZEDTYIWVIJQ-AWEZNQCLSA-N 1 2 339.403 0.181 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3nnnn3C)C2)nc1 ZINC001029889919 749448262 /nfs/dbraw/zinc/44/82/62/749448262.db2.gz SGNZEDTYIWVIJQ-AWEZNQCLSA-N 1 2 339.403 0.181 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn4ccccc34)C2)nn1 ZINC001105346298 749466917 /nfs/dbraw/zinc/46/69/17/749466917.db2.gz YTBOYDVPVPHHGP-UHFFFAOYSA-N 1 2 335.371 0.346 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3ncnn3C)C2)cn1 ZINC001029892222 749468405 /nfs/dbraw/zinc/46/84/05/749468405.db2.gz OOVQFRSXNSGMFF-AWEZNQCLSA-N 1 2 338.415 0.786 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3ncnn3C)C2)cn1 ZINC001029892222 749468409 /nfs/dbraw/zinc/46/84/09/749468409.db2.gz OOVQFRSXNSGMFF-AWEZNQCLSA-N 1 2 338.415 0.786 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cn3nccc3C)C2)nn1 ZINC001098740305 749475443 /nfs/dbraw/zinc/47/54/43/749475443.db2.gz OSIJXESWKINNIB-INIZCTEOSA-N 1 2 341.419 0.370 20 30 ECEDLO C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001004691555 749756866 /nfs/dbraw/zinc/75/68/66/749756866.db2.gz VNJPTHKKWQTFFG-ABAIWWIYSA-N 1 2 340.387 0.819 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000980579483 749806957 /nfs/dbraw/zinc/80/69/57/749806957.db2.gz QVMULOLTRPJJBY-KQTLUZQSSA-N 1 2 346.431 0.863 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3nnn(C)c3C)CC2)C1=O ZINC000980888326 750309987 /nfs/dbraw/zinc/30/99/87/750309987.db2.gz BHLXOSKECYYONL-AWEZNQCLSA-N 1 2 346.435 0.058 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3nnn(C)c3C)CC2)C1=O ZINC000980888326 750309990 /nfs/dbraw/zinc/30/99/90/750309990.db2.gz BHLXOSKECYYONL-AWEZNQCLSA-N 1 2 346.435 0.058 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[C@@H]3C(C)C)C2)nn1 ZINC001105352263 750466916 /nfs/dbraw/zinc/46/69/16/750466916.db2.gz SNRDULMMMKJINL-SJORKVTESA-N 1 2 345.447 0.693 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@H](C)OC)C2)nn1 ZINC001098640182 750479154 /nfs/dbraw/zinc/47/91/54/750479154.db2.gz FXEZVQOZMYQLEJ-HOCLYGCPSA-N 1 2 349.435 0.216 20 30 ECEDLO C=CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001058871904 750496221 /nfs/dbraw/zinc/49/62/21/750496221.db2.gz RKJDRMNKKYNYIZ-HUUCEWRRSA-N 1 2 348.447 0.817 20 30 ECEDLO Cn1nnc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2C#N)n1 ZINC001028078837 750547144 /nfs/dbraw/zinc/54/71/44/750547144.db2.gz SXBBQIZYSNDKBT-CQSZACIVSA-N 1 2 325.376 0.476 20 30 ECEDLO Cn1nnc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2C#N)n1 ZINC001028078837 750547148 /nfs/dbraw/zinc/54/71/48/750547148.db2.gz SXBBQIZYSNDKBT-CQSZACIVSA-N 1 2 325.376 0.476 20 30 ECEDLO C=CCCOCC(=O)N[C@H](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001051425942 762049157 /nfs/dbraw/zinc/04/91/57/762049157.db2.gz DSHPHIFMUQJUJZ-KGLIPLIRSA-N 1 2 334.420 0.898 20 30 ECEDLO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001005868386 750746728 /nfs/dbraw/zinc/74/67/28/750746728.db2.gz KIJGUMAUEPHMOZ-LBPRGKRZSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001005942959 750826884 /nfs/dbraw/zinc/82/68/84/750826884.db2.gz GRNHXSBOYJFVJN-NSHDSACASA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001005942959 750826891 /nfs/dbraw/zinc/82/68/91/750826891.db2.gz GRNHXSBOYJFVJN-NSHDSACASA-N 1 2 340.387 0.819 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2[nH]cc[nH+]2)c1 ZINC001005972549 750868996 /nfs/dbraw/zinc/86/89/96/750868996.db2.gz VLDAEJLHUAWTIO-OAGGEKHMSA-N 1 2 349.394 0.890 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCO[C@@H](C(C)C)C3)C2)nn1 ZINC001105357643 750939066 /nfs/dbraw/zinc/93/90/66/750939066.db2.gz IBHYFPOCERVWIK-WMLDXEAASA-N 1 2 345.447 0.835 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)Cc2ccn[nH]2)C1 ZINC001006322068 751244251 /nfs/dbraw/zinc/24/42/51/751244251.db2.gz ULILINUIECSNMO-BBRMVZONSA-N 1 2 343.431 0.013 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)Cc2ccn[nH]2)C1 ZINC001006322068 751244255 /nfs/dbraw/zinc/24/42/55/751244255.db2.gz ULILINUIECSNMO-BBRMVZONSA-N 1 2 343.431 0.013 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](OC)c3ccccc3)C2)nn1 ZINC001105363324 752348982 /nfs/dbraw/zinc/34/89/82/752348982.db2.gz UQHQMKGRRNEHBI-QGZVFWFLSA-N 1 2 339.399 0.772 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2=COCCC2)[C@H](OC)C1 ZINC001212004834 752396291 /nfs/dbraw/zinc/39/62/91/752396291.db2.gz PPJMGBNRAZZXBR-NWANDNLSSA-N 1 2 337.420 0.187 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2=COCCC2)[C@H](OC)C1 ZINC001212004834 752396299 /nfs/dbraw/zinc/39/62/99/752396299.db2.gz PPJMGBNRAZZXBR-NWANDNLSSA-N 1 2 337.420 0.187 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(OCC)n2)C[C@H]1OC ZINC001212031919 752429040 /nfs/dbraw/zinc/42/90/40/752429040.db2.gz BCCWKWKQKROZOI-HZPDHXFCSA-N 1 2 349.431 0.998 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2cccc(OCC)n2)C[C@H]1OC ZINC001212031919 752429045 /nfs/dbraw/zinc/42/90/45/752429045.db2.gz BCCWKWKQKROZOI-HZPDHXFCSA-N 1 2 349.431 0.998 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2cnc(C)cn2)C[C@H]1OC ZINC001212031962 752429304 /nfs/dbraw/zinc/42/93/04/752429304.db2.gz CORMFHSDHVOXSC-NUEKZKHPSA-N 1 2 334.420 0.864 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2cnc(C)cn2)C[C@H]1OC ZINC001212031962 752429308 /nfs/dbraw/zinc/42/93/08/752429308.db2.gz CORMFHSDHVOXSC-NUEKZKHPSA-N 1 2 334.420 0.864 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C#N)[C@H](OC)C1 ZINC001212038993 752431834 /nfs/dbraw/zinc/43/18/34/752431834.db2.gz CHYRHGGHXIZIDI-RRFJBIMHSA-N 1 2 336.436 0.386 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)C#N)[C@H](OC)C1 ZINC001212038993 752431841 /nfs/dbraw/zinc/43/18/41/752431841.db2.gz CHYRHGGHXIZIDI-RRFJBIMHSA-N 1 2 336.436 0.386 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(C4CC4)cn3)C2)nn1 ZINC001105368433 752468970 /nfs/dbraw/zinc/46/89/70/752468970.db2.gz WOTJEHOWOVRSMO-UHFFFAOYSA-N 1 2 336.399 0.970 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)COCCCC)C2)nn1 ZINC001098644796 752627064 /nfs/dbraw/zinc/62/70/64/752627064.db2.gz FJGZMILLDHINMA-MRXNPFEDSA-N 1 2 333.436 0.981 20 30 ECEDLO C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001075919798 752658951 /nfs/dbraw/zinc/65/89/51/752658951.db2.gz CHHODPHKBCESMA-KBPBESRZSA-N 1 2 334.420 0.659 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000938033768 752696679 /nfs/dbraw/zinc/69/66/79/752696679.db2.gz NKXUFYZKAWBYAQ-XHSDSOJGSA-N 1 2 346.431 0.972 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)C#N)CCO2 ZINC001007691414 752799178 /nfs/dbraw/zinc/79/91/78/752799178.db2.gz OODHFUCCRBNBEI-SJCJKPOMSA-N 1 2 345.403 0.250 20 30 ECEDLO CCn1ncc(C[N@@H+]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001028489285 752825382 /nfs/dbraw/zinc/82/53/82/752825382.db2.gz YRDVFMBROYTKTJ-GFCCVEGCSA-N 1 2 327.392 0.750 20 30 ECEDLO CCn1ncc(C[N@H+]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001028489285 752825389 /nfs/dbraw/zinc/82/53/89/752825389.db2.gz YRDVFMBROYTKTJ-GFCCVEGCSA-N 1 2 327.392 0.750 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](Cc3nnnn3C3CC3)C2)[nH]1 ZINC001028490715 752832719 /nfs/dbraw/zinc/83/27/19/752832719.db2.gz NOEICPMPFWFUGW-LLVKDONJSA-N 1 2 340.391 0.460 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](Cc3nnnn3C3CC3)C2)[nH]1 ZINC001028490715 752832728 /nfs/dbraw/zinc/83/27/28/752832728.db2.gz NOEICPMPFWFUGW-LLVKDONJSA-N 1 2 340.391 0.460 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CC[N@@H+](CC(=O)Nc3ccon3)C2)c[nH]1 ZINC001028491695 752835580 /nfs/dbraw/zinc/83/55/80/752835580.db2.gz HJLLPKNQCUGFRA-LLVKDONJSA-N 1 2 342.359 0.565 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CC[N@H+](CC(=O)Nc3ccon3)C2)c[nH]1 ZINC001028491695 752835587 /nfs/dbraw/zinc/83/55/87/752835587.db2.gz HJLLPKNQCUGFRA-LLVKDONJSA-N 1 2 342.359 0.565 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@]2(C1)CN(C(=O)CCc1[nH]cc[nH+]1)CCO2 ZINC001007712182 752846640 /nfs/dbraw/zinc/84/66/40/752846640.db2.gz NELAXHFVWYOARM-SUMWQHHRSA-N 1 2 345.403 0.332 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000989054566 753189847 /nfs/dbraw/zinc/18/98/47/753189847.db2.gz RQVCPIBZVZJKJR-ABAIWWIYSA-N 1 2 340.387 0.582 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2nc(CC3CC3)no2)C1 ZINC001051494340 762205502 /nfs/dbraw/zinc/20/55/02/762205502.db2.gz HWCVFGYQDSSWKN-WCQYABFASA-N 1 2 333.392 0.499 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)c2cc[nH]n2)CC1(C)C ZINC001008274274 753537224 /nfs/dbraw/zinc/53/72/24/753537224.db2.gz BIUJUBUMHAMOMU-GJZGRUSLSA-N 1 2 343.431 0.474 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)c2cc[nH]n2)CC1(C)C ZINC001008274274 753537226 /nfs/dbraw/zinc/53/72/26/753537226.db2.gz BIUJUBUMHAMOMU-GJZGRUSLSA-N 1 2 343.431 0.474 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)c2ccn[nH]2)CC1(C)C ZINC001008274274 753537233 /nfs/dbraw/zinc/53/72/33/753537233.db2.gz BIUJUBUMHAMOMU-GJZGRUSLSA-N 1 2 343.431 0.474 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)c2ccn[nH]2)CC1(C)C ZINC001008274274 753537235 /nfs/dbraw/zinc/53/72/35/753537235.db2.gz BIUJUBUMHAMOMU-GJZGRUSLSA-N 1 2 343.431 0.474 20 30 ECEDLO Cn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001083344211 753618924 /nfs/dbraw/zinc/61/89/24/753618924.db2.gz DXLBCQSGEWHEMQ-HIFRSBDPSA-N 1 2 330.413 0.933 20 30 ECEDLO Cn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001083344211 753618931 /nfs/dbraw/zinc/61/89/31/753618931.db2.gz DXLBCQSGEWHEMQ-HIFRSBDPSA-N 1 2 330.413 0.933 20 30 ECEDLO C=C(C)CCC(=O)N1CC[C@H](n2cc(C[NH2+][C@@H](CC)C(N)=O)nn2)C1 ZINC001098681433 753627511 /nfs/dbraw/zinc/62/75/11/753627511.db2.gz SPBAXMQZPKKGEF-GJZGRUSLSA-N 1 2 348.451 0.761 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[C@H]3CCCO3)[C@@H](O)C2)s1 ZINC001083352151 753646018 /nfs/dbraw/zinc/64/60/18/753646018.db2.gz ZDXPGQKNEBKREL-DFBGVHRSSA-N 1 2 335.429 0.850 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C[C@H]3CCCO3)[C@@H](O)C2)s1 ZINC001083352151 753646020 /nfs/dbraw/zinc/64/60/20/753646020.db2.gz ZDXPGQKNEBKREL-DFBGVHRSSA-N 1 2 335.429 0.850 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c1 ZINC001008370547 753667593 /nfs/dbraw/zinc/66/75/93/753667593.db2.gz GFDXEHYWWRCUBF-ZFWWWQNUSA-N 1 2 345.378 0.459 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c1 ZINC001008370547 753667596 /nfs/dbraw/zinc/66/75/96/753667596.db2.gz GFDXEHYWWRCUBF-ZFWWWQNUSA-N 1 2 345.378 0.459 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(C)nc3C(C)C)C2)nn1 ZINC001105372576 753672283 /nfs/dbraw/zinc/67/22/83/753672283.db2.gz NXIQPXLOPCPBBK-UHFFFAOYSA-N 1 2 341.419 0.555 20 30 ECEDLO CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001105491962 753729371 /nfs/dbraw/zinc/72/93/71/753729371.db2.gz HLHGZBGJVSFWRH-CYBMUJFWSA-N 1 2 339.403 0.702 20 30 ECEDLO CN(CCN(C)c1nccnc1C#N)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001105493409 753737416 /nfs/dbraw/zinc/73/74/16/753737416.db2.gz JWCJWAVLKBXOCI-CYBMUJFWSA-N 1 2 339.403 0.702 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H](CCNC(=O)CSCC#N)C1 ZINC001059972597 753741228 /nfs/dbraw/zinc/74/12/28/753741228.db2.gz NJRMTGAWUDDRJA-CYBMUJFWSA-N 1 2 349.460 0.574 20 30 ECEDLO C=CCCOCC(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001059972462 753743262 /nfs/dbraw/zinc/74/32/62/753743262.db2.gz MUPNMICPTGJKKU-OAHLLOKOSA-N 1 2 348.447 0.910 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ncc4n3CCCC4)C2)nn1 ZINC001105374209 753746545 /nfs/dbraw/zinc/74/65/45/753746545.db2.gz OMSLQCWNPLFPQU-UHFFFAOYSA-N 1 2 339.403 0.231 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)c1 ZINC001008467712 753770800 /nfs/dbraw/zinc/77/08/00/753770800.db2.gz GLVQJYBXJAFESD-CABCVRRESA-N 1 2 340.383 0.062 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCC(=O)NC3=O)C2)c1 ZINC001008467712 753770808 /nfs/dbraw/zinc/77/08/08/753770808.db2.gz GLVQJYBXJAFESD-CABCVRRESA-N 1 2 340.383 0.062 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(C)oc2C)[C@H](OC)C1 ZINC001211838238 753817205 /nfs/dbraw/zinc/81/72/05/753817205.db2.gz IOZATUXETHXSDU-DAXOMENPSA-N 1 2 347.415 0.463 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C)oc2C)[C@H](OC)C1 ZINC001211838238 753817211 /nfs/dbraw/zinc/81/72/11/753817211.db2.gz IOZATUXETHXSDU-DAXOMENPSA-N 1 2 347.415 0.463 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H]2C)cn1 ZINC000989492292 754024824 /nfs/dbraw/zinc/02/48/24/754024824.db2.gz IULXDEYVEDPYTD-DOMZBBRYSA-N 1 2 337.383 0.748 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3cn(CC)cn3)CC2)C1=O ZINC000989495959 754033202 /nfs/dbraw/zinc/03/32/02/754033202.db2.gz CIIRHTLPPKYLRM-MRXNPFEDSA-N 1 2 345.447 0.838 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3cn(CC)cn3)CC2)C1=O ZINC000989495959 754033207 /nfs/dbraw/zinc/03/32/07/754033207.db2.gz CIIRHTLPPKYLRM-MRXNPFEDSA-N 1 2 345.447 0.838 20 30 ECEDLO C[C@@H](CCNC(=O)CSCC#N)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001075679510 754094345 /nfs/dbraw/zinc/09/43/45/754094345.db2.gz YDXGMPQFLAIEBQ-QJPTWQEYSA-N 1 2 335.433 0.781 20 30 ECEDLO C[C@@H](CCNC(=O)CSCC#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001075679510 754094354 /nfs/dbraw/zinc/09/43/54/754094354.db2.gz YDXGMPQFLAIEBQ-QJPTWQEYSA-N 1 2 335.433 0.781 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC001008845485 754194055 /nfs/dbraw/zinc/19/40/55/754194055.db2.gz JXYRQEKDXQTCGG-VYDXJSESSA-N 1 2 335.448 0.827 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001008845485 754194060 /nfs/dbraw/zinc/19/40/60/754194060.db2.gz JXYRQEKDXQTCGG-VYDXJSESSA-N 1 2 335.448 0.827 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000983012106 754427861 /nfs/dbraw/zinc/42/78/61/754427861.db2.gz KNYJAVKVXQATTD-GFCCVEGCSA-N 1 2 340.387 0.441 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001009263431 754720317 /nfs/dbraw/zinc/72/03/17/754720317.db2.gz VWKWZDRPGMVQND-QWHCGFSZSA-N 1 2 330.388 0.162 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001009263431 754720326 /nfs/dbraw/zinc/72/03/26/754720326.db2.gz VWKWZDRPGMVQND-QWHCGFSZSA-N 1 2 330.388 0.162 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001009265095 754721729 /nfs/dbraw/zinc/72/17/29/754721729.db2.gz WVARXPGWAOAGNF-UKRRQHHQSA-N 1 2 342.399 0.176 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001009265095 754721732 /nfs/dbraw/zinc/72/17/32/754721732.db2.gz WVARXPGWAOAGNF-UKRRQHHQSA-N 1 2 342.399 0.176 20 30 ECEDLO Cc1nnc(C[NH2+]C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)o1 ZINC001051555877 762331955 /nfs/dbraw/zinc/33/19/55/762331955.db2.gz PWFKEYGCNZSLAO-LBPRGKRZSA-N 1 2 330.348 0.209 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000983185698 754815623 /nfs/dbraw/zinc/81/56/23/754815623.db2.gz QGJUWHNJDBLJFL-ZQIUZPCESA-N 1 2 346.431 0.898 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cncn3C)C2)nn1 ZINC001098688469 754927049 /nfs/dbraw/zinc/92/70/49/754927049.db2.gz PSAWHXWWMLPZDL-AWEZNQCLSA-N 1 2 327.392 0.212 20 30 ECEDLO Cn1cnnc1C[N@@H+]1CC[C@@]2(NC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12 ZINC000990277434 754932723 /nfs/dbraw/zinc/93/27/23/754932723.db2.gz QBGXOFVUKRRIFG-PBHICJAKSA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1cnnc1C[N@H+]1CC[C@@]2(NC(=O)c3ccc(C#N)[nH]3)CCC[C@@H]12 ZINC000990277434 754932727 /nfs/dbraw/zinc/93/27/27/754932727.db2.gz QBGXOFVUKRRIFG-PBHICJAKSA-N 1 2 339.403 0.942 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ncnn3CC)C2)c1 ZINC001028792099 755137780 /nfs/dbraw/zinc/13/77/80/755137780.db2.gz CCLUVSCLGQRZIY-HNNXBMFYSA-N 1 2 338.415 0.926 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@H+](Cc3ncnn3CC)C2)c1 ZINC001028792099 755137784 /nfs/dbraw/zinc/13/77/84/755137784.db2.gz CCLUVSCLGQRZIY-HNNXBMFYSA-N 1 2 338.415 0.926 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC(=O)Nc2ccon2)C1 ZINC001028812475 755205450 /nfs/dbraw/zinc/20/54/50/755205450.db2.gz DAHQUMXWXCCSDL-MCIONIFRSA-N 1 2 348.403 0.642 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC001028812475 755205453 /nfs/dbraw/zinc/20/54/53/755205453.db2.gz DAHQUMXWXCCSDL-MCIONIFRSA-N 1 2 348.403 0.642 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)C[C@H]3CCCO3)C2)nn1 ZINC001105379187 755266022 /nfs/dbraw/zinc/26/60/22/755266022.db2.gz RRMIVSQXWAGABH-RHSMWYFYSA-N 1 2 345.447 0.980 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3nonc3C)C2)nn1 ZINC001028851617 755309005 /nfs/dbraw/zinc/30/90/05/755309005.db2.gz RQCKPDIBNCHGSA-LBPRGKRZSA-N 1 2 331.380 0.407 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3nonc3C)C2)nn1 ZINC001028851617 755309007 /nfs/dbraw/zinc/30/90/07/755309007.db2.gz RQCKPDIBNCHGSA-LBPRGKRZSA-N 1 2 331.380 0.407 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@@H]1O ZINC001083470712 755315147 /nfs/dbraw/zinc/31/51/47/755315147.db2.gz IWXHLUVDVOFOLU-WCVJEAGWSA-N 1 2 335.404 0.626 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@@H]1O ZINC001083470712 755315151 /nfs/dbraw/zinc/31/51/51/755315151.db2.gz IWXHLUVDVOFOLU-WCVJEAGWSA-N 1 2 335.404 0.626 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](CNc2ccnc(C#N)n2)C1 ZINC001060045151 755425269 /nfs/dbraw/zinc/42/52/69/755425269.db2.gz IJZUQATWSNNQTG-CYBMUJFWSA-N 1 2 339.403 0.695 20 30 ECEDLO N#Cc1ccc(NC[C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC001060049213 755486641 /nfs/dbraw/zinc/48/66/41/755486641.db2.gz TWZOJADWTONDGX-GFCCVEGCSA-N 1 2 325.376 0.965 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](O)C1 ZINC000991646051 762427525 /nfs/dbraw/zinc/42/75/25/762427525.db2.gz NOXHCJRPDVOFBX-DZGCQCFKSA-N 1 2 348.447 0.941 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC000991646054 762427549 /nfs/dbraw/zinc/42/75/49/762427549.db2.gz NOXHCJRPDVOFBX-HIFRSBDPSA-N 1 2 348.447 0.941 20 30 ECEDLO C[C@H]1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001010281637 755935468 /nfs/dbraw/zinc/93/54/68/755935468.db2.gz VOTQTCQCHKJKLZ-RYUDHWBXSA-N 1 2 340.387 0.819 20 30 ECEDLO O=C(Cc1cncs1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083545478 756292117 /nfs/dbraw/zinc/29/21/17/756292117.db2.gz RVOLSNGQHOJXSJ-SJORKVTESA-N 1 2 341.436 0.899 20 30 ECEDLO O=C(Cc1cncs1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083545478 756292124 /nfs/dbraw/zinc/29/21/24/756292124.db2.gz RVOLSNGQHOJXSJ-SJORKVTESA-N 1 2 341.436 0.899 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001010698519 756414047 /nfs/dbraw/zinc/41/40/47/756414047.db2.gz PAEUQQOBLYEVPI-AWEZNQCLSA-N 1 2 326.360 0.246 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001010698519 756414051 /nfs/dbraw/zinc/41/40/51/756414051.db2.gz PAEUQQOBLYEVPI-AWEZNQCLSA-N 1 2 326.360 0.246 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](NC(=O)c2cnnn2C)C1 ZINC001010825598 756573897 /nfs/dbraw/zinc/57/38/97/756573897.db2.gz XHWJKQCMFMLUCW-CQSZACIVSA-N 1 2 340.387 0.700 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)c2cnnn2C)C1 ZINC001010825598 756573900 /nfs/dbraw/zinc/57/39/00/756573900.db2.gz XHWJKQCMFMLUCW-CQSZACIVSA-N 1 2 340.387 0.700 20 30 ECEDLO N#Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3=COCCO3)C2)ccc1F ZINC001076700397 756876965 /nfs/dbraw/zinc/87/69/65/756876965.db2.gz KPMFHDDRVIHURZ-HUUCEWRRSA-N 1 2 347.346 0.247 20 30 ECEDLO N#Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3=COCCO3)C2)ccc1F ZINC001076700397 756876969 /nfs/dbraw/zinc/87/69/69/756876969.db2.gz KPMFHDDRVIHURZ-HUUCEWRRSA-N 1 2 347.346 0.247 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C3CC(OCC)C3)C2)nn1 ZINC001098666538 756924991 /nfs/dbraw/zinc/92/49/91/756924991.db2.gz ACHOEOJWOARYDQ-WIHSUSGWSA-N 1 2 345.447 0.980 20 30 ECEDLO Cn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)cn1 ZINC001076728887 756926862 /nfs/dbraw/zinc/92/68/62/756926862.db2.gz VHAGCPFGGRGVEU-HZPDHXFCSA-N 1 2 325.372 0.267 20 30 ECEDLO Cn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)cn1 ZINC001076728887 756926865 /nfs/dbraw/zinc/92/68/65/756926865.db2.gz VHAGCPFGGRGVEU-HZPDHXFCSA-N 1 2 325.372 0.267 20 30 ECEDLO N#Cc1cccnc1NC[C@H](O)CNC(=O)CCCn1cc[nH+]c1 ZINC001105894458 762505005 /nfs/dbraw/zinc/50/50/05/762505005.db2.gz PCOOGPPBAGDDCA-CQSZACIVSA-N 1 2 328.376 0.519 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N1CCN(C(=O)C#CC2CC2)CC1 ZINC001011108004 756938155 /nfs/dbraw/zinc/93/81/55/756938155.db2.gz XBFFWRRHMPJNTH-UHFFFAOYSA-N 1 2 327.384 0.717 20 30 ECEDLO CN(C)c1noc(C[N@H+]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)n1 ZINC001048810176 757067625 /nfs/dbraw/zinc/06/76/25/757067625.db2.gz GZHLXRNKKHVZKN-OKILXGFUSA-N 1 2 329.404 0.439 20 30 ECEDLO CN(C)c1noc(C[N@@H+]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)n1 ZINC001048810176 757067633 /nfs/dbraw/zinc/06/76/33/757067633.db2.gz GZHLXRNKKHVZKN-OKILXGFUSA-N 1 2 329.404 0.439 20 30 ECEDLO CN(C(=O)C#CC1CC1)[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1O ZINC001048821060 757103517 /nfs/dbraw/zinc/10/35/17/757103517.db2.gz FHMXDDQXUMYOBG-KBPBESRZSA-N 1 2 344.415 0.131 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nncn3C)C[C@@H]2C1 ZINC001048827038 757122183 /nfs/dbraw/zinc/12/21/83/757122183.db2.gz SVQKOTUGLNBQBP-QXSJWSMHSA-N 1 2 345.447 0.687 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nncn3C)C[C@@H]2C1 ZINC001048827038 757122184 /nfs/dbraw/zinc/12/21/84/757122184.db2.gz SVQKOTUGLNBQBP-QXSJWSMHSA-N 1 2 345.447 0.687 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)nn1 ZINC001011194302 757172024 /nfs/dbraw/zinc/17/20/24/757172024.db2.gz WZFYZWSLEJAODM-UHFFFAOYSA-N 1 2 343.391 0.104 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001011200721 757178368 /nfs/dbraw/zinc/17/83/68/757178368.db2.gz ZARFIXFKYJCTNH-HOCLYGCPSA-N 1 2 332.404 0.535 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001011200698 757178499 /nfs/dbraw/zinc/17/84/99/757178499.db2.gz XJWQDVKUMSEZPN-RDJZCZTQSA-N 1 2 346.431 0.615 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCc1cn(C2C[NH+](CCOC(C)C)C2)nn1 ZINC001107169861 757207875 /nfs/dbraw/zinc/20/78/75/757207875.db2.gz WVESKEYLZWZFGL-CQSZACIVSA-N 1 2 349.435 0.214 20 30 ECEDLO CCOCC[NH+]1CC(n2cc(CNC(=O)C#CC(C)(C)C)nn2)C1 ZINC001107171176 757217771 /nfs/dbraw/zinc/21/77/71/757217771.db2.gz LMCMQYYGEBUTND-UHFFFAOYSA-N 1 2 333.436 0.837 20 30 ECEDLO C=CCCC[NH+]1CC(n2cc(CNC(=O)Cc3n[nH]c(C)n3)nn2)C1 ZINC001107167569 757234555 /nfs/dbraw/zinc/23/45/55/757234555.db2.gz CGUJEFJBFSDISP-UHFFFAOYSA-N 1 2 344.423 0.386 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)Cc3nc(CC)c[nH]3)nn2)C1 ZINC001107180404 757300866 /nfs/dbraw/zinc/30/08/66/757300866.db2.gz QBPTVJSVAUZJMX-UHFFFAOYSA-N 1 2 341.419 0.303 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[C@H](C)CO3)nn2)C1 ZINC001107187834 757417961 /nfs/dbraw/zinc/41/79/61/757417961.db2.gz KAFSTPWFFLYOEZ-XJKSGUPXSA-N 1 2 349.435 0.379 20 30 ECEDLO C=CC(C)(C)C(=O)NCc1cn(C2C[NH+](CCn3cccn3)C2)nn1 ZINC001107192400 757464334 /nfs/dbraw/zinc/46/43/34/757464334.db2.gz JRPFFBIGIIWETC-UHFFFAOYSA-N 1 2 343.435 0.860 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001021594030 757660329 /nfs/dbraw/zinc/66/03/29/757660329.db2.gz WGCQWAZBMDYQDP-JKSUJKDBSA-N 1 2 326.400 0.746 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccoc3CC)C2)C1=O ZINC001076946812 757728287 /nfs/dbraw/zinc/72/82/87/757728287.db2.gz FOTAYWJGENWFQW-QLFBSQMISA-N 1 2 347.415 0.404 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccoc3CC)C2)C1=O ZINC001076946812 757728302 /nfs/dbraw/zinc/72/83/02/757728302.db2.gz FOTAYWJGENWFQW-QLFBSQMISA-N 1 2 347.415 0.404 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCCn3cncn3)nn2)C1 ZINC001107226027 757880030 /nfs/dbraw/zinc/88/00/30/757880030.db2.gz MGYVSBBNSCDARD-UHFFFAOYSA-N 1 2 330.396 0.009 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@H]1O ZINC001077017880 757947345 /nfs/dbraw/zinc/94/73/45/757947345.db2.gz MUCPLMDJMQDZKX-DZUCGIPZSA-N 1 2 349.431 0.934 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@H]1O ZINC001077017880 757947350 /nfs/dbraw/zinc/94/73/50/757947350.db2.gz MUCPLMDJMQDZKX-DZUCGIPZSA-N 1 2 349.431 0.934 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCOCCOC)nn2)C1 ZINC001107240510 758039658 /nfs/dbraw/zinc/03/96/58/758039658.db2.gz BFFXWJWMAYCTNG-UHFFFAOYSA-N 1 2 337.424 0.380 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001011626951 758165130 /nfs/dbraw/zinc/16/51/30/758165130.db2.gz UESUCPNUEKYYDC-ZYHUDNBSSA-N 1 2 326.360 0.571 20 30 ECEDLO Cc1nc(N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)cc[nH+]1 ZINC001051656512 762608890 /nfs/dbraw/zinc/60/88/90/762608890.db2.gz AKPFMEPPNVBWLF-JSGCOSHPSA-N 1 2 326.360 0.354 20 30 ECEDLO C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001077116730 758230249 /nfs/dbraw/zinc/23/02/49/758230249.db2.gz XGNHAWIYFJSJDT-UONOGXRCSA-N 1 2 334.420 0.659 20 30 ECEDLO C#CCOCCC(=O)NC/C=C\CNc1ncnc2c1C[N@H+](C)CC2 ZINC001107343912 758315790 /nfs/dbraw/zinc/31/57/90/758315790.db2.gz HCCRCCBNUHZEBE-PLNGDYQASA-N 1 2 343.431 0.589 20 30 ECEDLO C#CCOCCC(=O)NC/C=C\CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001107343912 758315798 /nfs/dbraw/zinc/31/57/98/758315798.db2.gz HCCRCCBNUHZEBE-PLNGDYQASA-N 1 2 343.431 0.589 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001011702319 758353970 /nfs/dbraw/zinc/35/39/70/758353970.db2.gz PBUORSUSXMKQKC-WCQYABFASA-N 1 2 340.387 0.961 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nnnn1C)CC2 ZINC001107377385 758405588 /nfs/dbraw/zinc/40/55/88/758405588.db2.gz JKLYAQQOGDEQSK-KBRIMQKVSA-N 1 2 348.451 0.398 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nnnn1C)CC2 ZINC001107377385 758405597 /nfs/dbraw/zinc/40/55/97/758405597.db2.gz JKLYAQQOGDEQSK-KBRIMQKVSA-N 1 2 348.451 0.398 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCN(C(=O)CCn3cc[nH+]c3)CC2)nc1 ZINC001011728418 758422930 /nfs/dbraw/zinc/42/29/30/758422930.db2.gz ALVCJVNQXLXGFV-UHFFFAOYSA-N 1 2 337.383 0.634 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2nnc(CC)[nH]2)C1 ZINC001022220423 758439597 /nfs/dbraw/zinc/43/95/97/758439597.db2.gz CCWATJOFDWSTNJ-XQLPTFJDSA-N 1 2 344.463 0.763 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC(CC3)C4)C2)C1=O ZINC001077238647 758573921 /nfs/dbraw/zinc/57/39/21/758573921.db2.gz LJJYJPFZNXUQST-HQWNSDKXSA-N 1 2 347.459 0.515 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC(CC3)C4)C2)C1=O ZINC001077238647 758573927 /nfs/dbraw/zinc/57/39/27/758573927.db2.gz LJJYJPFZNXUQST-HQWNSDKXSA-N 1 2 347.459 0.515 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccccc3)C2)C1=O ZINC001077242966 758591143 /nfs/dbraw/zinc/59/11/43/758591143.db2.gz SFGPZAFGHWDPPU-BRWVUGGUSA-N 1 2 343.427 0.177 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccccc3)C2)C1=O ZINC001077242966 758591151 /nfs/dbraw/zinc/59/11/51/758591151.db2.gz SFGPZAFGHWDPPU-BRWVUGGUSA-N 1 2 343.427 0.177 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001022377372 758643298 /nfs/dbraw/zinc/64/32/98/758643298.db2.gz KZCVPDZEEASSOQ-HZSPNIEDSA-N 1 2 329.404 0.572 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 ZINC001022377655 758644605 /nfs/dbraw/zinc/64/46/05/758644605.db2.gz SAVDUARMWCDYDY-JKSUJKDBSA-N 1 2 340.427 0.825 20 30 ECEDLO Cn1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)c2ccc(C#N)[nH]2)nn1 ZINC001049425189 758667634 /nfs/dbraw/zinc/66/76/34/758667634.db2.gz LCHUJILQGGXQLU-HOTGVXAUSA-N 1 2 339.403 0.894 20 30 ECEDLO Cn1cc(C[N@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)c2ccc(C#N)[nH]2)nn1 ZINC001049425189 758667640 /nfs/dbraw/zinc/66/76/40/758667640.db2.gz LCHUJILQGGXQLU-HOTGVXAUSA-N 1 2 339.403 0.894 20 30 ECEDLO C[C@@H](NC(=O)CSCC#N)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001051671564 762655693 /nfs/dbraw/zinc/65/56/93/762655693.db2.gz JSEYYOSRIOJBPN-VXGBXAGGSA-N 1 2 335.433 0.562 20 30 ECEDLO Cn1[nH]c(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)C#CC2CC2)nc1=O ZINC001049467998 758763707 /nfs/dbraw/zinc/76/37/07/758763707.db2.gz SAETWSFJYYYUDW-KBPBESRZSA-N 1 2 329.404 0.087 20 30 ECEDLO Cn1[nH]c(C[N@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)C#CC2CC2)nc1=O ZINC001049467998 758763712 /nfs/dbraw/zinc/76/37/12/758763712.db2.gz SAETWSFJYYYUDW-KBPBESRZSA-N 1 2 329.404 0.087 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@H]2C)c1 ZINC001011857005 758780571 /nfs/dbraw/zinc/78/05/71/758780571.db2.gz QKZUFWZQDODCJL-XJKSGUPXSA-N 1 2 337.383 0.679 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001011857684 758782888 /nfs/dbraw/zinc/78/28/88/758782888.db2.gz VCQQVOCOYBYXGL-FZMZJTMJSA-N 1 2 326.360 0.502 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001077357378 758898148 /nfs/dbraw/zinc/89/81/48/758898148.db2.gz RZABXBAWHLJMFK-KBPBESRZSA-N 1 2 342.399 0.997 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001049581451 758958206 /nfs/dbraw/zinc/95/82/06/758958206.db2.gz HVQYCSKELNYDLC-BZUAXINKSA-N 1 2 338.473 0.900 20 30 ECEDLO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001049581451 758958212 /nfs/dbraw/zinc/95/82/12/758958212.db2.gz HVQYCSKELNYDLC-BZUAXINKSA-N 1 2 338.473 0.900 20 30 ECEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC)C[C@@H]2O)cc1 ZINC001083578072 759046198 /nfs/dbraw/zinc/04/61/98/759046198.db2.gz UHTKIGBHIOAESR-MAZHCROVSA-N 1 2 347.415 0.161 20 30 ECEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@@H]2O)cc1 ZINC001083578072 759046206 /nfs/dbraw/zinc/04/62/06/759046206.db2.gz UHTKIGBHIOAESR-MAZHCROVSA-N 1 2 347.415 0.161 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2coc(-c3ccccn3)n2)[C@@H](O)C1 ZINC001083603152 759248991 /nfs/dbraw/zinc/24/89/91/759248991.db2.gz IGOKOSVRHHEQHF-HIFRSBDPSA-N 1 2 326.356 0.535 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2coc(-c3ccccn3)n2)[C@@H](O)C1 ZINC001083603152 759248996 /nfs/dbraw/zinc/24/89/96/759248996.db2.gz IGOKOSVRHHEQHF-HIFRSBDPSA-N 1 2 326.356 0.535 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C)nn1 ZINC001012106529 759422204 /nfs/dbraw/zinc/42/22/04/759422204.db2.gz VYHKLRVVFQLQFH-WCQYABFASA-N 1 2 343.391 0.149 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2ccc(C)o2)[C@H](OC)C1 ZINC001212136329 759645094 /nfs/dbraw/zinc/64/50/94/759645094.db2.gz ISFAXRCXITXFRB-NUEKZKHPSA-N 1 2 349.431 0.637 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2ccc(C)o2)[C@H](OC)C1 ZINC001212136329 759645098 /nfs/dbraw/zinc/64/50/98/759645098.db2.gz ISFAXRCXITXFRB-NUEKZKHPSA-N 1 2 349.431 0.637 20 30 ECEDLO C#CCCCC(=O)N(C)C[C@@H](O)CN(C)c1[nH+]cnc2c1cnn2C ZINC001125095500 759662768 /nfs/dbraw/zinc/66/27/68/759662768.db2.gz ZXMOLNBITZKHPP-CYBMUJFWSA-N 1 2 344.419 0.422 20 30 ECEDLO C[C@H](NC(=O)Cc1c[nH+]cn1C)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001050097561 759696948 /nfs/dbraw/zinc/69/69/48/759696948.db2.gz JFDKHTAQPOJOIU-QWHCGFSZSA-N 1 2 349.460 0.573 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001012489735 760073852 /nfs/dbraw/zinc/07/38/52/760073852.db2.gz OHJGBSNJBQOYHU-DGCLKSJQSA-N 1 2 340.387 0.582 20 30 ECEDLO Cc1cnn(C)c1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077530623 767921388 /nfs/dbraw/zinc/92/13/88/767921388.db2.gz UIHYPZVVFXLCAC-IAGOWNOFSA-N 1 2 338.411 0.555 20 30 ECEDLO Cc1cnn(C)c1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077530623 767921391 /nfs/dbraw/zinc/92/13/91/767921391.db2.gz UIHYPZVVFXLCAC-IAGOWNOFSA-N 1 2 338.411 0.555 20 30 ECEDLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000945385780 760179472 /nfs/dbraw/zinc/17/94/72/760179472.db2.gz QSHOAYQYLYFYEL-IUODEOHRSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001050414756 760243117 /nfs/dbraw/zinc/24/31/17/760243117.db2.gz ZECJRIHXUQQLSX-YPMHNXCESA-N 1 2 340.387 0.819 20 30 ECEDLO CCc1nc(C#N)cc(N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H]2C)n1 ZINC001050520969 760418552 /nfs/dbraw/zinc/41/85/52/760418552.db2.gz VMLIQZJIOFCQQD-YPMHNXCESA-N 1 2 339.403 0.960 20 30 ECEDLO C[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@H]2CNc2cncc(C#N)n2)C1 ZINC001060225318 760483051 /nfs/dbraw/zinc/48/30/51/760483051.db2.gz NNGNUWOEMBUYGU-GJZGRUSLSA-N 1 2 344.419 0.472 20 30 ECEDLO C[N@H+]1CCO[C@H](C(=O)N2CCCC[C@H]2CNc2cncc(C#N)n2)C1 ZINC001060225318 760483055 /nfs/dbraw/zinc/48/30/55/760483055.db2.gz NNGNUWOEMBUYGU-GJZGRUSLSA-N 1 2 344.419 0.472 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CNc1ccc(C#N)nn1 ZINC001054437493 767976217 /nfs/dbraw/zinc/97/62/17/767976217.db2.gz AJQCVOLJHQXMTE-VXGBXAGGSA-N 1 2 325.376 0.820 20 30 ECEDLO C#CCCCCC(=O)N(C)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC001048711997 760997509 /nfs/dbraw/zinc/99/75/09/760997509.db2.gz IYRSOBHQYOTRLY-KBPBESRZSA-N 1 2 332.404 0.176 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)Cn3cc[nH+]c3)C2)c1 ZINC001013050034 761011211 /nfs/dbraw/zinc/01/12/11/761011211.db2.gz OUAVGXUWPFLXME-CZUORRHYSA-N 1 2 337.383 0.679 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C4CC4)nn3C)C[C@@H]2C1 ZINC001048725523 761048570 /nfs/dbraw/zinc/04/85/70/761048570.db2.gz SMGYEFPBQQOZRB-FPMFFAJLSA-N 1 2 328.420 0.742 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3nc(C4CC4)nn3C)C[C@@H]2C1 ZINC001048725523 761048578 /nfs/dbraw/zinc/04/85/78/761048578.db2.gz SMGYEFPBQQOZRB-FPMFFAJLSA-N 1 2 328.420 0.742 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001048761604 761128831 /nfs/dbraw/zinc/12/88/31/761128831.db2.gz CWAUMBDGJFGGMS-STQMWFEESA-N 1 2 334.420 0.585 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CC(C)C)C1 ZINC001050944907 761187101 /nfs/dbraw/zinc/18/71/01/761187101.db2.gz GDSPHCKVXUFVBQ-HOTGVXAUSA-N 1 2 337.464 0.884 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CC(C)C)C1 ZINC001050944907 761187103 /nfs/dbraw/zinc/18/71/03/761187103.db2.gz GDSPHCKVXUFVBQ-HOTGVXAUSA-N 1 2 337.464 0.884 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(CC)C2=O)C[C@H]1OC ZINC001212148997 761273948 /nfs/dbraw/zinc/27/39/48/761273948.db2.gz XJZADYDATCDUSC-OWCLPIDISA-N 1 2 335.448 0.616 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(CC)C2=O)C[C@H]1OC ZINC001212148997 761273952 /nfs/dbraw/zinc/27/39/52/761273952.db2.gz XJZADYDATCDUSC-OWCLPIDISA-N 1 2 335.448 0.616 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1CNc1ccnc(C#N)n1 ZINC001060263948 761295014 /nfs/dbraw/zinc/29/50/14/761295014.db2.gz DJTWXUCBYGQZOI-ZDUSSCGKSA-N 1 2 339.403 0.837 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1sccc1-n1cnnn1 ZINC001050999862 761307820 /nfs/dbraw/zinc/30/78/20/761307820.db2.gz CMRIWRLIOFCANJ-GFCCVEGCSA-N 1 2 348.432 0.731 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1sccc1-n1cnnn1 ZINC001050999862 761307830 /nfs/dbraw/zinc/30/78/30/761307830.db2.gz CMRIWRLIOFCANJ-GFCCVEGCSA-N 1 2 348.432 0.731 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C(N)=O)cn1C ZINC001051003211 761316081 /nfs/dbraw/zinc/31/60/81/761316081.db2.gz LQHVNRBRXKRLTI-AWEZNQCLSA-N 1 2 334.420 0.521 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C(N)=O)cn1C ZINC001051003211 761316088 /nfs/dbraw/zinc/31/60/88/761316088.db2.gz LQHVNRBRXKRLTI-AWEZNQCLSA-N 1 2 334.420 0.521 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nc(C)nn2C1 ZINC001051043284 761382208 /nfs/dbraw/zinc/38/22/08/761382208.db2.gz ITCHZCYWQQBPKS-GJZGRUSLSA-N 1 2 333.436 0.542 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nc(C)nn2C1 ZINC001051043284 761382213 /nfs/dbraw/zinc/38/22/13/761382213.db2.gz ITCHZCYWQQBPKS-GJZGRUSLSA-N 1 2 333.436 0.542 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC001051046704 761388452 /nfs/dbraw/zinc/38/84/52/761388452.db2.gz SQKSSQQIFICQBU-OWCLPIDISA-N 1 2 339.436 0.015 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC001051046704 761388459 /nfs/dbraw/zinc/38/84/59/761388459.db2.gz SQKSSQQIFICQBU-OWCLPIDISA-N 1 2 339.436 0.015 20 30 ECEDLO C=CCCOCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001051059842 761415499 /nfs/dbraw/zinc/41/54/99/761415499.db2.gz MBFBOPWGMZZLAP-LSDHHAIUSA-N 1 2 334.420 0.829 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C)cn1 ZINC001013470203 761457951 /nfs/dbraw/zinc/45/79/51/761457951.db2.gz OTDHTQLSQOYCLM-BBRMVZONSA-N 1 2 337.383 0.679 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccoc1CC(N)=O ZINC001051083698 761459035 /nfs/dbraw/zinc/45/90/35/761459035.db2.gz ILWMFVWTQDRMTG-ZDUSSCGKSA-N 1 2 335.404 0.704 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccoc1CC(N)=O ZINC001051083698 761459040 /nfs/dbraw/zinc/45/90/40/761459040.db2.gz ILWMFVWTQDRMTG-ZDUSSCGKSA-N 1 2 335.404 0.704 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1c2n(c(=O)n1C)CCCC2 ZINC001051111645 761510742 /nfs/dbraw/zinc/51/07/42/761510742.db2.gz XBBHDJKNYKJEDB-AWEZNQCLSA-N 1 2 348.447 0.530 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c2n(c(=O)n1C)CCCC2 ZINC001051111645 761510752 /nfs/dbraw/zinc/51/07/52/761510752.db2.gz XBBHDJKNYKJEDB-AWEZNQCLSA-N 1 2 348.447 0.530 20 30 ECEDLO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc2c([nH]c1=O)CCC2 ZINC001051240531 761741916 /nfs/dbraw/zinc/74/19/16/761741916.db2.gz GUYVLIMWNHCTFN-CQSZACIVSA-N 1 2 329.400 0.730 20 30 ECEDLO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc2c([nH]c1=O)CCC2 ZINC001051240531 761741917 /nfs/dbraw/zinc/74/19/17/761741917.db2.gz GUYVLIMWNHCTFN-CQSZACIVSA-N 1 2 329.400 0.730 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001017532647 768089582 /nfs/dbraw/zinc/08/95/82/768089582.db2.gz CQMBPYKKWUMIMD-DZGCQCFKSA-N 1 2 341.415 0.880 20 30 ECEDLO CN1C[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)CC1=O ZINC001014622324 762919749 /nfs/dbraw/zinc/91/97/49/762919749.db2.gz YZCZWJSSAROMFB-HZPDHXFCSA-N 1 2 326.400 0.727 20 30 ECEDLO CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CC1=O ZINC001014622324 762919753 /nfs/dbraw/zinc/91/97/53/762919753.db2.gz YZCZWJSSAROMFB-HZPDHXFCSA-N 1 2 326.400 0.727 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001105970836 763128796 /nfs/dbraw/zinc/12/87/96/763128796.db2.gz NMNFJKXJAGAQPF-OCCSQVGLSA-N 1 2 332.404 0.590 20 30 ECEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]2O)CC1 ZINC000991746880 763159273 /nfs/dbraw/zinc/15/92/73/763159273.db2.gz DUKACIRZTWCDDS-HOTGVXAUSA-N 1 2 346.431 0.708 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]2O)C1 ZINC000991764175 763318723 /nfs/dbraw/zinc/31/87/23/763318723.db2.gz QTLAJXBBGOMEGX-HUUCEWRRSA-N 1 2 346.431 0.708 20 30 ECEDLO Cc1nn[nH]c1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031891088 763337887 /nfs/dbraw/zinc/33/78/87/763337887.db2.gz WTOSVVHNPBEYRZ-UHFFFAOYSA-N 1 2 328.351 0.986 20 30 ECEDLO NC(=O)[C@@H]1CC[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031896723 763425884 /nfs/dbraw/zinc/42/58/84/763425884.db2.gz JEXVHAPDXNCLMV-SJORKVTESA-N 1 2 343.402 0.737 20 30 ECEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2CC[C@H]2C(N)=O)C1 ZINC001031899792 763448598 /nfs/dbraw/zinc/44/85/98/763448598.db2.gz VEDSCSJKTACYLI-HZPDHXFCSA-N 1 2 326.400 0.618 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001046964054 763473970 /nfs/dbraw/zinc/47/39/70/763473970.db2.gz YHHHYTQOARTQPO-MNOVXSKESA-N 1 2 335.782 0.948 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001046964054 763473972 /nfs/dbraw/zinc/47/39/72/763473972.db2.gz YHHHYTQOARTQPO-MNOVXSKESA-N 1 2 335.782 0.948 20 30 ECEDLO Cn1nnc(C(=O)NCC2C[NH+](CC#Cc3ccc(Cl)cc3)C2)n1 ZINC001031905033 763481166 /nfs/dbraw/zinc/48/11/66/763481166.db2.gz TXFQICIRTSSQGH-UHFFFAOYSA-N 1 2 344.806 0.577 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)C3=COCCO3)C2)CC1 ZINC001051976519 763494637 /nfs/dbraw/zinc/49/46/37/763494637.db2.gz FITQRGSNHYLVDD-AWEZNQCLSA-N 1 2 341.839 0.846 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCC1(F)F ZINC001046981031 763502477 /nfs/dbraw/zinc/50/24/77/763502477.db2.gz UILBSLLANYUUHX-DYEKYZERSA-N 1 2 345.390 0.526 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCC1(F)F ZINC001046981031 763502479 /nfs/dbraw/zinc/50/24/79/763502479.db2.gz UILBSLLANYUUHX-DYEKYZERSA-N 1 2 345.390 0.526 20 30 ECEDLO CN1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)C1=O ZINC001031909888 763522944 /nfs/dbraw/zinc/52/29/44/763522944.db2.gz FDVXLZSUNALQRK-OAHLLOKOSA-N 1 2 344.390 0.724 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCOC3)C2)CC1 ZINC001051991825 763533003 /nfs/dbraw/zinc/53/30/03/763533003.db2.gz MGQOEBYUBCSNJD-HUUCEWRRSA-N 1 2 327.856 0.994 20 30 ECEDLO Cc1ncc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)o1 ZINC001051997784 763548657 /nfs/dbraw/zinc/54/86/57/763548657.db2.gz IEMWUIPSZGVOQU-ZFWWWQNUSA-N 1 2 331.420 0.861 20 30 ECEDLO Cc1cc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)on1 ZINC001051998600 763551910 /nfs/dbraw/zinc/55/19/10/763551910.db2.gz WEMCCTWZGNDWEL-DZGCQCFKSA-N 1 2 331.420 0.861 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)c3cc[nH]c(=O)c3)C2)CC1 ZINC001052010785 763578999 /nfs/dbraw/zinc/57/89/99/763578999.db2.gz GMQPSGHUDFICEB-INIZCTEOSA-N 1 2 328.416 0.643 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)C[C@H]3COC(=O)C3)C2)CC1 ZINC001052012727 763583494 /nfs/dbraw/zinc/58/34/94/763583494.db2.gz KPWMNDFBUZDMGM-CVEARBPZSA-N 1 2 333.432 0.181 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@H]3COC(=O)C3)C2)CC1 ZINC001052013175 763585545 /nfs/dbraw/zinc/58/55/45/763585545.db2.gz SFTJOBZOPQPQNA-CVEARBPZSA-N 1 2 333.432 0.181 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)C3CN(C(C)=O)C3)C2)CC1 ZINC001052018292 763597220 /nfs/dbraw/zinc/59/72/20/763597220.db2.gz HAYOVKZENWFQIH-QGZVFWFLSA-N 1 2 334.464 0.259 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cncnc3)C2)CC1 ZINC001052019800 763601597 /nfs/dbraw/zinc/60/15/97/763601597.db2.gz BGGYAVBMZHJLQC-MRXNPFEDSA-N 1 2 349.866 0.990 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)CO[C@@H]3CCOC3)C2)CC1 ZINC001052025475 763616027 /nfs/dbraw/zinc/61/60/27/763616027.db2.gz FOJOKXLRIPGFHU-DLBZAZTESA-N 1 2 335.448 0.034 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)C3(c4ccccn4)CC3)C2)CC1 ZINC001052028770 763625038 /nfs/dbraw/zinc/62/50/38/763625038.db2.gz STJAKIMWPYTYIX-MRXNPFEDSA-N 1 2 339.443 0.855 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccc4n[nH]nc43)C2)CC1 ZINC001052031157 763632000 /nfs/dbraw/zinc/63/20/00/763632000.db2.gz GPQSMNFDWIETLK-CYBMUJFWSA-N 1 2 339.403 0.314 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3CCNC3=O)C2)CC1 ZINC001052036671 763649648 /nfs/dbraw/zinc/64/96/48/763649648.db2.gz SCUNXUIQDVEBQC-HZPDHXFCSA-N 1 2 334.464 0.307 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc4cccn4cn3)C2)CC1 ZINC001052040425 763661104 /nfs/dbraw/zinc/66/11/04/763661104.db2.gz FTIGPFPTNAWUFC-INIZCTEOSA-N 1 2 338.415 0.690 20 30 ECEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCS2(=O)=O)C(C)(C)C1 ZINC000941232888 763663479 /nfs/dbraw/zinc/66/34/79/763663479.db2.gz QKXHTFITLHARJN-KBPBESRZSA-N 1 2 326.462 0.804 20 30 ECEDLO CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCS2(=O)=O)C(C)(C)C1 ZINC000941232888 763663481 /nfs/dbraw/zinc/66/34/81/763663481.db2.gz QKXHTFITLHARJN-KBPBESRZSA-N 1 2 326.462 0.804 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn(C)c(C)cc3=O)C2)CC1 ZINC001052041498 763668303 /nfs/dbraw/zinc/66/83/03/763668303.db2.gz JMABTVZDTQFCJD-MRXNPFEDSA-N 1 2 342.443 0.159 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc4n3CCOC4)C2)CC1 ZINC001052041651 763668337 /nfs/dbraw/zinc/66/83/37/763668337.db2.gz OCAXENCXMYDOOK-HNNXBMFYSA-N 1 2 345.447 0.431 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn(C)nc3COC)C2)CC1 ZINC001052044686 763679967 /nfs/dbraw/zinc/67/99/67/763679967.db2.gz JLIUBDFWAIPBRG-OAHLLOKOSA-N 1 2 347.463 0.585 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001052044689 763680316 /nfs/dbraw/zinc/68/03/16/763680316.db2.gz LVZDGJJSJLVXMD-CHWSQXEVSA-N 1 2 349.460 0.810 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001052044689 763680322 /nfs/dbraw/zinc/68/03/22/763680322.db2.gz LVZDGJJSJLVXMD-CHWSQXEVSA-N 1 2 349.460 0.810 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001052046325 763687595 /nfs/dbraw/zinc/68/75/95/763687595.db2.gz ZGGTURIVGMRWHB-OLZOCXBDSA-N 1 2 349.460 0.430 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnc4ccccn34)C2)CC1 ZINC001052048381 763695659 /nfs/dbraw/zinc/69/56/59/763695659.db2.gz RRQDRKYDXDGAGM-INIZCTEOSA-N 1 2 337.427 0.800 20 30 ECEDLO CC(C)(C)n1cc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)cn1 ZINC001052048459 763696287 /nfs/dbraw/zinc/69/62/87/763696287.db2.gz UZXVRUPITCPHHB-INIZCTEOSA-N 1 2 344.463 0.994 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn4cccnc4n3)C2)CC1 ZINC001052048548 763696835 /nfs/dbraw/zinc/69/68/35/763696835.db2.gz XGRHXPNDNOQBNO-OAHLLOKOSA-N 1 2 338.415 0.195 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3ccc(=O)[nH]c3)C2)CC1 ZINC001052051628 763711658 /nfs/dbraw/zinc/71/16/58/763711658.db2.gz BTJZCEPGYPFCLX-QGZVFWFLSA-N 1 2 342.443 0.572 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](OC)c3cnn(C)c3)C2)CC1 ZINC001052054775 763722014 /nfs/dbraw/zinc/72/20/14/763722014.db2.gz CRXONUZJUNKROP-DLBZAZTESA-N 1 2 347.463 0.512 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(OC)ccn3)C2)CC1 ZINC001052061026 763743304 /nfs/dbraw/zinc/74/33/04/763743304.db2.gz QRIKVLBSMUZVOD-HNNXBMFYSA-N 1 2 328.416 0.556 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(OC)ccn3)C2)CC1 ZINC001052061026 763743309 /nfs/dbraw/zinc/74/33/09/763743309.db2.gz QRIKVLBSMUZVOD-HNNXBMFYSA-N 1 2 328.416 0.556 20 30 ECEDLO Cn1cc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)[nH]c1=O ZINC001031949772 763745558 /nfs/dbraw/zinc/74/55/58/763745558.db2.gz HKOKLGOMLOHUEV-UHFFFAOYSA-N 1 2 342.374 0.978 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@]3(C)CCC(=O)NC3)C2)CC1 ZINC001052068343 763761448 /nfs/dbraw/zinc/76/14/48/763761448.db2.gz GGHFJRQRDPHGSV-LPHOPBHVSA-N 1 2 348.491 0.697 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cn3ccc(C)cc3=O)C2)CC1 ZINC001052090257 763827413 /nfs/dbraw/zinc/82/74/13/763827413.db2.gz ZUDUFEMHEIUMDT-QGZVFWFLSA-N 1 2 342.443 0.008 20 30 ECEDLO C#Cc1cncc(C(=O)NCC2C[NH+](Cc3ccc(OC)nn3)C2)c1 ZINC001031965538 763832547 /nfs/dbraw/zinc/83/25/47/763832547.db2.gz NMENDEPKNZKKGB-UHFFFAOYSA-N 1 2 337.383 0.723 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccnc(C4CC4)n3)C2)CC1 ZINC001052094805 763841338 /nfs/dbraw/zinc/84/13/38/763841338.db2.gz ZFISYLMHGSXRQB-HNNXBMFYSA-N 1 2 340.431 0.710 20 30 ECEDLO CCCn1cc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)nn1 ZINC001052101952 763864907 /nfs/dbraw/zinc/86/49/07/763864907.db2.gz ARGBYLHELTUZLR-CQSZACIVSA-N 1 2 331.424 0.044 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c[nH]c(C)cc3=O)C2)CC1 ZINC001052104963 763874382 /nfs/dbraw/zinc/87/43/82/763874382.db2.gz CBWCQJOLRWHDLU-MRXNPFEDSA-N 1 2 342.443 0.539 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCN(C(=O)CC)C3)C2)CC1 ZINC001052105309 763875702 /nfs/dbraw/zinc/87/57/02/763875702.db2.gz HVVJZMIJRBTVNR-IRXDYDNUSA-N 1 2 346.475 0.097 20 30 ECEDLO CC(C)c1cc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)n(C)n1 ZINC001052105958 763878668 /nfs/dbraw/zinc/87/86/68/763878668.db2.gz WRDUPUXRJBJUBE-OAHLLOKOSA-N 1 2 344.463 0.899 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn(CC4CC4)c3)C2)CC1 ZINC001052105993 763878797 /nfs/dbraw/zinc/87/87/97/763878797.db2.gz YHYHZCPZWHXDFM-GOSISDBHSA-N 1 2 341.459 0.758 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCCCN(C)C3=O)C2)CC1 ZINC001052106234 763880509 /nfs/dbraw/zinc/88/05/09/763880509.db2.gz GDQDTWOXBKWJCE-SJORKVTESA-N 1 2 346.475 0.097 20 30 ECEDLO CCc1noc(C)c1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052117569 763928802 /nfs/dbraw/zinc/92/88/02/763928802.db2.gz SYOBFDBBVGGFEB-AWEZNQCLSA-N 1 2 331.420 0.901 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3noc4c3COCC4)C2)CC1 ZINC001052119453 763936381 /nfs/dbraw/zinc/93/63/81/763936381.db2.gz RMGGQENBYOJBTJ-CYBMUJFWSA-N 1 2 345.403 0.103 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccnc(C)n3)C2)CC1 ZINC001052119708 763936886 /nfs/dbraw/zinc/93/68/86/763936886.db2.gz UUVYDAZAJVUPNZ-INIZCTEOSA-N 1 2 327.432 0.640 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)C2)CC1 ZINC001052122764 763947437 /nfs/dbraw/zinc/94/74/37/763947437.db2.gz ZPHXKPGTMAPHDQ-IAGOWNOFSA-N 1 2 346.475 0.097 20 30 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/nfs/dbraw/zinc/82/67/78/764826778.db2.gz IVMFENFEZHBRCC-GJZGRUSLSA-N 1 2 346.431 0.593 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H](C)[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001052598756 764826785 /nfs/dbraw/zinc/82/67/85/764826785.db2.gz IVMFENFEZHBRCC-GJZGRUSLSA-N 1 2 346.431 0.593 20 30 ECEDLO C#CCOCCC(=O)N1C[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001052600077 764830755 /nfs/dbraw/zinc/83/07/55/764830755.db2.gz SUNRKFRRHYWVIU-HUUCEWRRSA-N 1 2 346.431 0.593 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3ccccc3)n2)C1 ZINC001047624571 764914498 /nfs/dbraw/zinc/91/44/98/764914498.db2.gz RZQSSEYJCNTSEC-IRXDYDNUSA-N 1 2 339.399 0.408 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3ccccc3)n2)C1 ZINC001047624571 764914503 /nfs/dbraw/zinc/91/45/03/764914503.db2.gz RZQSSEYJCNTSEC-IRXDYDNUSA-N 1 2 339.399 0.408 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cnn(C)n2)CC1 ZINC001052721174 765042722 /nfs/dbraw/zinc/04/27/22/765042722.db2.gz AIGSFNAUGJXUIL-IMJJTQAJSA-N 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GYCIWQVZAHHUOC-MAZHCROVSA-N 1 2 346.431 0.897 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001015895669 765508146 /nfs/dbraw/zinc/50/81/46/765508146.db2.gz OAXFXSPMNSBJIZ-JTQLQIEISA-N 1 2 326.784 0.682 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001015895669 765508153 /nfs/dbraw/zinc/50/81/53/765508153.db2.gz OAXFXSPMNSBJIZ-JTQLQIEISA-N 1 2 326.784 0.682 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC001077501592 765798834 /nfs/dbraw/zinc/79/88/34/765798834.db2.gz DHEVNIVOEGIPAD-HUUCEWRRSA-N 1 2 325.372 0.270 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC001077501592 765798840 /nfs/dbraw/zinc/79/88/40/765798840.db2.gz DHEVNIVOEGIPAD-HUUCEWRRSA-N 1 2 325.372 0.270 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001017749077 768346104 /nfs/dbraw/zinc/34/61/04/768346104.db2.gz ZOZYYQCOWKAIKH-CVEARBPZSA-N 1 2 344.415 0.818 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CCNc1ccnc(C#N)n1 ZINC001053423065 766107606 /nfs/dbraw/zinc/10/76/06/766107606.db2.gz BKKUVQPUTNGNTR-CHWSQXEVSA-N 1 2 339.403 0.632 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1c[nH]c(=O)cc1OC)CCO2 ZINC001053433790 766124419 /nfs/dbraw/zinc/12/44/19/766124419.db2.gz JRMHWUVUPPWFSB-UHFFFAOYSA-N 1 2 333.388 0.899 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2nc(C)nn2C1 ZINC001017759512 768350720 /nfs/dbraw/zinc/35/07/20/768350720.db2.gz RVEWILVBRLSQCL-HRCADAONSA-N 1 2 327.432 0.847 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2nc(C)nn2C1 ZINC001017759512 768350728 /nfs/dbraw/zinc/35/07/28/768350728.db2.gz RVEWILVBRLSQCL-HRCADAONSA-N 1 2 327.432 0.847 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1nc3ncccn3n1)CCO2 ZINC001053475123 766195971 /nfs/dbraw/zinc/19/59/71/766195971.db2.gz IKBRIRWEBZDCDE-UHFFFAOYSA-N 1 2 328.376 0.227 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCN(C(=O)CC)C1)CCO2 ZINC001053498823 766238439 /nfs/dbraw/zinc/23/84/39/766238439.db2.gz KSJVCHZNSKBAFG-OAHLLOKOSA-N 1 2 335.448 0.734 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001016407655 766244633 /nfs/dbraw/zinc/24/46/33/766244633.db2.gz XLPYGHUFUKRQAK-UHFFFAOYSA-N 1 2 340.387 0.880 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C1CCN(C(C)=O)CC1)CCO2 ZINC001053528864 766283764 /nfs/dbraw/zinc/28/37/64/766283764.db2.gz UHYLSYKSTVJQBR-UHFFFAOYSA-N 1 2 335.448 0.734 20 30 ECEDLO Cn1cnc(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)n1 ZINC001031648543 766337988 /nfs/dbraw/zinc/33/79/88/766337988.db2.gz UIRDQCZMPSRDJR-UHFFFAOYSA-N 1 2 328.351 0.688 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)no3)C[C@@H]2O)cc1 ZINC001083690729 766352816 /nfs/dbraw/zinc/35/28/16/766352816.db2.gz HTMFJNCEFOGMFO-SJORKVTESA-N 1 2 325.368 0.939 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)no3)C[C@@H]2O)cc1 ZINC001083690729 766352823 /nfs/dbraw/zinc/35/28/23/766352823.db2.gz HTMFJNCEFOGMFO-SJORKVTESA-N 1 2 325.368 0.939 20 30 ECEDLO CO[C@@H]1C[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)C#CC1CC1 ZINC001212250584 766408627 /nfs/dbraw/zinc/40/86/27/766408627.db2.gz BTAXIWANBURPHW-OWCLPIDISA-N 1 2 347.459 0.615 20 30 ECEDLO CO[C@@H]1C[N@H+]([C@H]2CCN(C(C)(C)C)C2=O)C[C@H]1NC(=O)C#CC1CC1 ZINC001212250584 766408633 /nfs/dbraw/zinc/40/86/33/766408633.db2.gz BTAXIWANBURPHW-OWCLPIDISA-N 1 2 347.459 0.615 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc3n[nH]nc3n1)O2 ZINC001053608636 766424515 /nfs/dbraw/zinc/42/45/15/766424515.db2.gz HDPPLIQCUSOGHZ-NSHDSACASA-N 1 2 328.376 0.502 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc3n[nH]nc3n1)O2 ZINC001053608635 766424538 /nfs/dbraw/zinc/42/45/38/766424538.db2.gz HDPPLIQCUSOGHZ-LLVKDONJSA-N 1 2 328.376 0.502 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnn3ccncc13)O2 ZINC001053610000 766427675 /nfs/dbraw/zinc/42/76/75/766427675.db2.gz HPEHOPQQOIPBAW-CYBMUJFWSA-N 1 2 327.388 0.879 20 30 ECEDLO N#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCc3c[nH+]cn3C1)O2 ZINC001053619762 766450633 /nfs/dbraw/zinc/45/06/33/766450633.db2.gz WIJGTRFCWXYVTM-HIFRSBDPSA-N 1 2 329.404 0.319 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCN(C(C)=O)C1)O2 ZINC001053625986 766467812 /nfs/dbraw/zinc/46/78/12/766467812.db2.gz KWOSUZSZFBGZSR-HOTGVXAUSA-N 1 2 335.448 0.781 20 30 ECEDLO CO[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)C#CC1CC1 ZINC001212253195 766488183 /nfs/dbraw/zinc/48/81/83/766488183.db2.gz AHLZMCWCXZOQJZ-CHWSQXEVSA-N 1 2 334.338 0.794 20 30 ECEDLO CO[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1NC(=O)C#CC1CC1 ZINC001212253195 766488191 /nfs/dbraw/zinc/48/81/91/766488191.db2.gz AHLZMCWCXZOQJZ-CHWSQXEVSA-N 1 2 334.338 0.794 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C(N)=O)co1)O2 ZINC001053659281 766528744 /nfs/dbraw/zinc/52/87/44/766528744.db2.gz OSGUWCWXDWJSRN-CYBMUJFWSA-N 1 2 333.388 0.918 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001060420550 766598976 /nfs/dbraw/zinc/59/89/76/766598976.db2.gz QVBSROQGIXBGST-KFWWJZLASA-N 1 2 346.431 0.898 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c(OC)cc[nH]c1=O)O2 ZINC001053691440 766598942 /nfs/dbraw/zinc/59/89/42/766598942.db2.gz XSYWTASYNCTSCY-GFCCVEGCSA-N 1 2 333.388 0.945 20 30 ECEDLO CCn1ncc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)n1 ZINC001046011691 766637406 /nfs/dbraw/zinc/63/74/06/766637406.db2.gz GBSWXMRKWAGTFX-GDBMZVCRSA-N 1 2 345.451 0.176 20 30 ECEDLO CCn1ncc(C[N@H+]2CC[C@@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)n1 ZINC001046011691 766637410 /nfs/dbraw/zinc/63/74/10/766637410.db2.gz GBSWXMRKWAGTFX-GDBMZVCRSA-N 1 2 345.451 0.176 20 30 ECEDLO Cc1noc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)C#CC4CC4)CC3)C2)n1 ZINC001046027912 766688508 /nfs/dbraw/zinc/68/85/08/766688508.db2.gz SPBACXCPLFNFNF-MRXNPFEDSA-N 1 2 343.431 0.510 20 30 ECEDLO Cc1noc(C[N@H+]2CC[C@@H](N3CCN(C(=O)C#CC4CC4)CC3)C2)n1 ZINC001046027912 766688515 /nfs/dbraw/zinc/68/85/15/766688515.db2.gz SPBACXCPLFNFNF-MRXNPFEDSA-N 1 2 343.431 0.510 20 30 ECEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046029798 766695033 /nfs/dbraw/zinc/69/50/33/766695033.db2.gz BFKPYSNCZYBFIV-ULQDDVLXSA-N 1 2 334.464 0.790 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cccc4n[nH]nc43)CC2)C1 ZINC001046032964 766707636 /nfs/dbraw/zinc/70/76/36/766707636.db2.gz PFUBFCCKULTOBK-ZDUSSCGKSA-N 1 2 339.403 0.314 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001016688059 766732378 /nfs/dbraw/zinc/73/23/78/766732378.db2.gz LSKCUQDVWKIHJK-NDTCATRNSA-N 1 2 346.431 0.970 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cnc4ccccn34)CC2)C1 ZINC001046039960 766744894 /nfs/dbraw/zinc/74/48/94/766744894.db2.gz BRBUYMBOSJADEL-HNNXBMFYSA-N 1 2 338.415 0.690 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@H]3CCc4nccn4C3)CC2)C1 ZINC001046040041 766745146 /nfs/dbraw/zinc/74/51/46/766745146.db2.gz DQPYMSIRBMRYDF-HOTGVXAUSA-N 1 2 342.447 0.188 20 30 ECEDLO CC1(C)CO[C@@H](CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)C1 ZINC001046044605 766767801 /nfs/dbraw/zinc/76/78/01/766767801.db2.gz ZTLVWJPZFSPHFZ-HOTGVXAUSA-N 1 2 334.464 0.934 20 30 ECEDLO C[C@H](C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1)c1cncnc1 ZINC001046054065 766799583 /nfs/dbraw/zinc/79/95/83/766799583.db2.gz HXHOBZLRBLAYEC-HOCLYGCPSA-N 1 2 328.420 0.322 20 30 ECEDLO COc1cccnc1CC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046054367 766799754 /nfs/dbraw/zinc/79/97/54/766799754.db2.gz LSBHIFQIWHALJW-OAHLLOKOSA-N 1 2 343.431 0.375 20 30 ECEDLO CCc1c(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)ccn1C ZINC001046063871 766839677 /nfs/dbraw/zinc/83/96/77/766839677.db2.gz AITDSDKTTKKSLG-HNNXBMFYSA-N 1 2 329.448 0.943 20 30 ECEDLO COc1cc(=O)[nH]cc1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046064606 766845367 /nfs/dbraw/zinc/84/53/67/766845367.db2.gz PNIDMFIEOHFVKT-CYBMUJFWSA-N 1 2 345.403 0.151 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046069225 766868291 /nfs/dbraw/zinc/86/82/91/766868291.db2.gz DCPTWFBTKLXMDV-ULQDDVLXSA-N 1 2 332.448 0.710 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCc3n[nH]cc31)CO2 ZINC001053802874 766889615 /nfs/dbraw/zinc/88/96/15/766889615.db2.gz GAMXDGNRWFKTCS-KGLIPLIRSA-N 1 2 328.416 0.812 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)COc3ccsc3)CC2)C1 ZINC001046075602 766896145 /nfs/dbraw/zinc/89/61/45/766896145.db2.gz BWRGUNPPOBTZSG-AWEZNQCLSA-N 1 2 334.445 0.869 20 30 ECEDLO CCOc1ncccc1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046083342 766922725 /nfs/dbraw/zinc/92/27/25/766922725.db2.gz QHRNEBWWLPZADF-HNNXBMFYSA-N 1 2 343.431 0.836 20 30 ECEDLO Cc1nc(CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)cs1 ZINC001046083075 766922846 /nfs/dbraw/zinc/92/28/46/766922846.db2.gz KSJLMGMRQGMEBH-HNNXBMFYSA-N 1 2 333.461 0.736 20 30 ECEDLO C[C@H](C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1)c1cnn(C)c1 ZINC001046085777 766927185 /nfs/dbraw/zinc/92/71/85/766927185.db2.gz DMOMKHKTKGSUDD-GOEBONIOSA-N 1 2 330.436 0.266 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C2CC(NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001016809125 766964890 /nfs/dbraw/zinc/96/48/90/766964890.db2.gz QXCUBNLXUUOWFQ-UHFFFAOYSA-N 1 2 337.383 0.679 20 30 ECEDLO Cn1cnc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)cc1=O ZINC001031741868 766993797 /nfs/dbraw/zinc/99/37/97/766993797.db2.gz ZFGOFXDPEABSHH-UHFFFAOYSA-N 1 2 337.383 0.514 20 30 ECEDLO C[C@@H](C#N)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cc[nH+]c1)C2 ZINC001053845261 766999593 /nfs/dbraw/zinc/99/95/93/766999593.db2.gz KSXJMDDOCQKFPY-XQLPTFJDSA-N 1 2 329.404 0.929 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3nnc(C)n3c1)CO2 ZINC001053853655 767026838 /nfs/dbraw/zinc/02/68/38/767026838.db2.gz LFHDULZPHKRAMY-OAHLLOKOSA-N 1 2 339.399 0.634 20 30 ECEDLO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001046312314 767141269 /nfs/dbraw/zinc/14/12/69/767141269.db2.gz VJCCQNTUOHASEW-AWEZNQCLSA-N 1 2 346.431 0.880 20 30 ECEDLO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001046312288 767141472 /nfs/dbraw/zinc/14/14/72/767141472.db2.gz UXCSAONUNUPFRU-CHWSQXEVSA-N 1 2 344.415 0.559 20 30 ECEDLO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001046312288 767141474 /nfs/dbraw/zinc/14/14/74/767141474.db2.gz UXCSAONUNUPFRU-CHWSQXEVSA-N 1 2 344.415 0.559 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2(C(F)F)CC2)[C@H](OC)C1 ZINC001212285120 767142373 /nfs/dbraw/zinc/14/23/73/767142373.db2.gz VMWDMJOKXJXLIR-IJLUTSLNSA-N 1 2 345.390 0.538 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C(F)F)CC2)[C@H](OC)C1 ZINC001212285120 767142374 /nfs/dbraw/zinc/14/23/74/767142374.db2.gz VMWDMJOKXJXLIR-IJLUTSLNSA-N 1 2 345.390 0.538 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001046363930 767171312 /nfs/dbraw/zinc/17/13/12/767171312.db2.gz GWNMELVPKZOIRD-CJNGLKHVSA-N 1 2 343.855 0.814 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001046363930 767171314 /nfs/dbraw/zinc/17/13/14/767171314.db2.gz GWNMELVPKZOIRD-CJNGLKHVSA-N 1 2 343.855 0.814 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001212298131 767185281 /nfs/dbraw/zinc/18/52/81/767185281.db2.gz WGTFWKJTZPMJGZ-WCXIOVBPSA-N 1 2 336.432 0.433 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001212298131 767185283 /nfs/dbraw/zinc/18/52/83/767185283.db2.gz WGTFWKJTZPMJGZ-WCXIOVBPSA-N 1 2 336.432 0.433 20 30 ECEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1OC ZINC001212320920 767212589 /nfs/dbraw/zinc/21/25/89/767212589.db2.gz JMLPSXPOIRHTIG-OWCLPIDISA-N 1 2 335.448 0.801 20 30 ECEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1OC ZINC001212320920 767212590 /nfs/dbraw/zinc/21/25/90/767212590.db2.gz JMLPSXPOIRHTIG-OWCLPIDISA-N 1 2 335.448 0.801 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3cnn(C)c3C1)CO2 ZINC001053907292 767324448 /nfs/dbraw/zinc/32/44/48/767324448.db2.gz SCYKMKPFRBTFHK-HOCLYGCPSA-N 1 2 342.443 0.508 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)NC[C@@H](O)CNc2cncc(C#N)n2)c[nH+]1 ZINC001106159081 767410302 /nfs/dbraw/zinc/41/03/02/767410302.db2.gz DVBZPLIRAVEQEA-ZDUSSCGKSA-N 1 2 343.391 0.178 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)NC[C@H](O)CNc2ncccc2C#N)c[nH+]1 ZINC001106159822 767412356 /nfs/dbraw/zinc/41/23/56/767412356.db2.gz NKYCJRGMRJHOHC-CQSZACIVSA-N 1 2 342.403 0.783 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C1CCS(=O)(=O)CC1)CO2 ZINC001053943390 767415161 /nfs/dbraw/zinc/41/51/61/767415161.db2.gz DLODUUPGAZLEPX-AWEZNQCLSA-N 1 2 342.461 0.347 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(=O)N1CCC[C@H](C)C1)CO2 ZINC001053949168 767430208 /nfs/dbraw/zinc/43/02/08/767430208.db2.gz ZQMUJEOKXRJXLR-LSDHHAIUSA-N 1 2 333.432 0.228 20 30 ECEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)c2cc3c[nH+]ccc3[nH]2)nn1 ZINC001106175257 767489725 /nfs/dbraw/zinc/48/97/25/767489725.db2.gz WNPTZEHTAYCZOV-GFCCVEGCSA-N 1 2 337.343 0.427 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nccn3cc(C)nc13)CO2 ZINC001053977316 767511927 /nfs/dbraw/zinc/51/19/27/767511927.db2.gz SDNQYPCTWTWHRH-CQSZACIVSA-N 1 2 339.399 0.634 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ncoc1-c1ccon1)CO2 ZINC001053983564 767528938 /nfs/dbraw/zinc/52/89/38/767528938.db2.gz CTGKMIHGBXZVKM-GFCCVEGCSA-N 1 2 342.355 0.926 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2COC3(C[NH+]([C@@H](C)COC)C3)C2)cn1 ZINC001053984768 767532764 /nfs/dbraw/zinc/53/27/64/767532764.db2.gz DWOODAHKUNRTHA-XJKSGUPXSA-N 1 2 329.400 0.671 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2COC3(C[NH+]([C@H](C)COC)C3)C2)nc1 ZINC001053985660 767535304 /nfs/dbraw/zinc/53/53/04/767535304.db2.gz VZBHXVJOKQGDHG-UKRRQHHQSA-N 1 2 329.400 0.671 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnn3ccc(C)nc13)CO2 ZINC001053985704 767535568 /nfs/dbraw/zinc/53/55/68/767535568.db2.gz XEZDCPLXSOTZGT-AWEZNQCLSA-N 1 2 339.399 0.634 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1nc3nccc(C)n3n1)CO2 ZINC001053996112 767554033 /nfs/dbraw/zinc/55/40/33/767554033.db2.gz BWMQZGKHJAVALI-ZDUSSCGKSA-N 1 2 340.387 0.029 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1nc3nccc(C)n3n1)CO2 ZINC001053997237 767557027 /nfs/dbraw/zinc/55/70/27/767557027.db2.gz YHKINPSBUXSYPX-ZDUSSCGKSA-N 1 2 342.403 0.582 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)N1CCCCC1=O)CO2 ZINC001054016389 767606136 /nfs/dbraw/zinc/60/61/36/767606136.db2.gz BNZQRKXGNVDMAR-CABCVRRESA-N 1 2 335.448 0.923 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1c(C)c(C)sc1=O)CO2 ZINC001054017414 767608492 /nfs/dbraw/zinc/60/84/92/767608492.db2.gz ZAOJHHKXBZXQAQ-AWEZNQCLSA-N 1 2 349.456 0.509 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc3nnn(C)c31)CO2 ZINC001054026973 767629704 /nfs/dbraw/zinc/62/97/04/767629704.db2.gz IRHVLENDTNQMAQ-CYBMUJFWSA-N 1 2 339.399 0.565 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(C2(NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC001017144884 767648300 /nfs/dbraw/zinc/64/83/00/767648300.db2.gz BWMPCJDEXWOKLD-UKRRQHHQSA-N 1 2 348.447 0.364 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(C2(NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC001017144884 767648305 /nfs/dbraw/zinc/64/83/05/767648305.db2.gz BWMPCJDEXWOKLD-UKRRQHHQSA-N 1 2 348.447 0.364 20 30 ECEDLO Cn1[nH]c(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)C#CC2CC2)C3)nc1=O ZINC001054130710 767725928 /nfs/dbraw/zinc/72/59/28/767725928.db2.gz WYPQKALHZCYGDI-GOSISDBHSA-N 1 2 343.431 0.336 20 30 ECEDLO Cn1[nH]c(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)C#CC2CC2)C3)nc1=O ZINC001054130710 767725931 /nfs/dbraw/zinc/72/59/31/767725931.db2.gz WYPQKALHZCYGDI-GOSISDBHSA-N 1 2 343.431 0.336 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2nnnn2CC1 ZINC001017977781 768574670 /nfs/dbraw/zinc/57/46/70/768574670.db2.gz HSTTWAKXLYNDTJ-KFWWJZLASA-N 1 2 328.420 0.324 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2nnnn2CC1 ZINC001017977781 768574674 /nfs/dbraw/zinc/57/46/74/768574674.db2.gz HSTTWAKXLYNDTJ-KFWWJZLASA-N 1 2 328.420 0.324 20 30 ECEDLO C[C@@H]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001018072207 768686237 /nfs/dbraw/zinc/68/62/37/768686237.db2.gz WUMWSFYGNUHXII-YPMHNXCESA-N 1 2 340.387 0.961 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(-n2cncn2)n1 ZINC001018121723 768758677 /nfs/dbraw/zinc/75/86/77/768758677.db2.gz IYLDSHXYXPWQSV-GASCZTMLSA-N 1 2 336.399 0.974 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(-n2cncn2)n1 ZINC001018121723 768758679 /nfs/dbraw/zinc/75/86/79/768758679.db2.gz IYLDSHXYXPWQSV-GASCZTMLSA-N 1 2 336.399 0.974 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001055337483 768792739 /nfs/dbraw/zinc/79/27/39/768792739.db2.gz FOKUZILNABAPBC-IYBDPMFKSA-N 1 2 344.415 0.230 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC001055379669 768836309 /nfs/dbraw/zinc/83/63/09/768836309.db2.gz PEVZEQDAWSGPRW-KFWWJZLASA-N 1 2 346.431 0.471 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001055380834 768838316 /nfs/dbraw/zinc/83/83/16/768838316.db2.gz DYOBYPLSXUBCPE-OAGGEKHMSA-N 1 2 346.431 0.781 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@H](OC)C3CC3)C2)CC1 ZINC001018364015 769204464 /nfs/dbraw/zinc/20/44/64/769204464.db2.gz AMRYGWDQZXHSJD-IAGOWNOFSA-N 1 2 349.475 0.980 20 30 ECEDLO C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001018439614 769349400 /nfs/dbraw/zinc/34/94/00/769349400.db2.gz JOBAWYZIZZZSNE-YPMHNXCESA-N 1 2 340.387 0.961 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[C@@H](C)Nc1ccnc(C#N)n1 ZINC001089359776 770444183 /nfs/dbraw/zinc/44/41/83/770444183.db2.gz SSJIFZGLDNJQLJ-MNOVXSKESA-N 1 2 327.392 0.740 20 30 ECEDLO CCc1nc(C#N)cc(N2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)n1 ZINC001056060304 770708851 /nfs/dbraw/zinc/70/88/51/770708851.db2.gz SPCJRVDCOFBFLZ-UHFFFAOYSA-N 1 2 339.403 0.915 20 30 ECEDLO CCc1nc(C#N)cc(N2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)n1 ZINC001056060304 770708855 /nfs/dbraw/zinc/70/88/55/770708855.db2.gz SPCJRVDCOFBFLZ-UHFFFAOYSA-N 1 2 339.403 0.915 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@H]1C ZINC000994421055 770770713 /nfs/dbraw/zinc/77/07/13/770770713.db2.gz ZZIANKAKKMNBTM-PWSUYJOCSA-N 1 2 340.811 0.821 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@H]1C ZINC000994421055 770770719 /nfs/dbraw/zinc/77/07/19/770770719.db2.gz ZZIANKAKKMNBTM-PWSUYJOCSA-N 1 2 340.811 0.821 20 30 ECEDLO CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCCO2)o1 ZINC001078397743 782867295 /nfs/dbraw/zinc/86/72/95/782867295.db2.gz DWDZFHCVZHLULB-CQSZACIVSA-N 1 2 332.404 0.753 20 30 ECEDLO C[C@@H](C[C@H](C)Nc1ccnc(C#N)n1)NC(=O)CCn1cc[nH+]c1 ZINC001089444445 771202514 /nfs/dbraw/zinc/20/25/14/771202514.db2.gz PPBGFHCLYCLDRG-STQMWFEESA-N 1 2 327.392 0.752 20 30 ECEDLO CC(C)C#CC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001056390752 771214513 /nfs/dbraw/zinc/21/45/13/771214513.db2.gz WGAJKOXODWUBOU-ZACQAIPSSA-N 1 2 347.459 0.568 20 30 ECEDLO CC(C)C#CC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001056390752 771214515 /nfs/dbraw/zinc/21/45/15/771214515.db2.gz WGAJKOXODWUBOU-ZACQAIPSSA-N 1 2 347.459 0.568 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC001056401761 771227203 /nfs/dbraw/zinc/22/72/03/771227203.db2.gz KCHCCDGWVOVDOE-OWCLPIDISA-N 1 2 344.415 0.513 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC3(C2)CCN(C(=O)Cn2cc[nH+]c2)C3)c1 ZINC001019414646 771265883 /nfs/dbraw/zinc/26/58/83/771265883.db2.gz QBRGFYLPPFDHLX-UHFFFAOYSA-N 1 2 349.394 0.634 20 30 ECEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3COCCO3)C2)ccc1F ZINC001031555286 771272096 /nfs/dbraw/zinc/27/20/96/771272096.db2.gz PWTCJRKOLHHWNP-INIZCTEOSA-N 1 2 333.363 0.661 20 30 ECEDLO N#Cc1nccc(NC2CC3(CC(NC(=O)Cc4[nH]cc[nH+]4)C3)C2)n1 ZINC001056524586 771353297 /nfs/dbraw/zinc/35/32/97/771353297.db2.gz OCTAJGNULNSBML-UHFFFAOYSA-N 1 2 337.387 0.575 20 30 ECEDLO N#CCSCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056527498 771355547 /nfs/dbraw/zinc/35/55/47/771355547.db2.gz RZWKXBYZWPFRJN-OLZOCXBDSA-N 1 2 347.444 0.801 20 30 ECEDLO CN(CCOCCNc1cncc(C#N)n1)C(=O)Cc1c[nH+]c[nH]1 ZINC001127504784 771379559 /nfs/dbraw/zinc/37/95/59/771379559.db2.gz APTDZEJMUYFXKI-UHFFFAOYSA-N 1 2 329.364 0.201 20 30 ECEDLO CCc1nc(C#N)cc(N[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC001056657190 771477197 /nfs/dbraw/zinc/47/71/97/771477197.db2.gz INJZPSCHNQDZFT-GFCCVEGCSA-N 1 2 325.376 0.820 20 30 ECEDLO C=CCN1CC[C@H]([NH2+]Cc2cn([C@@H]3CCN(C(=O)CC)C3)nn2)C1=O ZINC001089573569 771540887 /nfs/dbraw/zinc/54/08/87/771540887.db2.gz HRKYCMBEALZXFS-CABCVRRESA-N 1 2 346.435 0.338 20 30 ECEDLO CO[C@@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)C#CC1CC1 ZINC001212246227 771546246 /nfs/dbraw/zinc/54/62/46/771546246.db2.gz NYHYVRHJEAXTCC-IAGOWNOFSA-N 1 2 349.475 0.861 20 30 ECEDLO CO[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1NC(=O)C#CC1CC1 ZINC001212246227 771546251 /nfs/dbraw/zinc/54/62/51/771546251.db2.gz NYHYVRHJEAXTCC-IAGOWNOFSA-N 1 2 349.475 0.861 20 30 ECEDLO N#Cc1nccc(N[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)C2)n1 ZINC001056733252 771568061 /nfs/dbraw/zinc/56/80/61/771568061.db2.gz ICZZLVKORVFFRA-GFCCVEGCSA-N 1 2 333.355 0.744 20 30 ECEDLO CN(c1ccc(C#N)nn1)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001056997772 771924904 /nfs/dbraw/zinc/92/49/04/771924904.db2.gz ITFDKXSFWIDFBR-CQSZACIVSA-N 1 2 325.376 0.672 20 30 ECEDLO CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001057058797 772011427 /nfs/dbraw/zinc/01/14/27/772011427.db2.gz ANGKVLSYGXLUMA-AWEZNQCLSA-N 1 2 325.376 0.741 20 30 ECEDLO CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001057058797 772011431 /nfs/dbraw/zinc/01/14/31/772011431.db2.gz ANGKVLSYGXLUMA-AWEZNQCLSA-N 1 2 325.376 0.741 20 30 ECEDLO C=CCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001057171257 772211802 /nfs/dbraw/zinc/21/18/02/772211802.db2.gz UYXMUFFILSBEKS-CYBMUJFWSA-N 1 2 334.420 0.733 20 30 ECEDLO C#CCCCCC(=O)N(CCO)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001057390969 772559905 /nfs/dbraw/zinc/55/99/05/772559905.db2.gz XHSJBONDHUEBCA-HNNXBMFYSA-N 1 2 348.447 0.719 20 30 ECEDLO C#CCCCCC(=O)N(CCO)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001057390969 772559909 /nfs/dbraw/zinc/55/99/09/772559909.db2.gz XHSJBONDHUEBCA-HNNXBMFYSA-N 1 2 348.447 0.719 20 30 ECEDLO C#CCCCC(=O)N(CCO)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001057445133 772622007 /nfs/dbraw/zinc/62/20/07/772622007.db2.gz IZHIEDVFIAVMDD-UHFFFAOYSA-N 1 2 348.447 0.667 20 30 ECEDLO C=C1CC(C)(C(=O)NCCN(CCO)C(=O)CCCn2cc[nH+]c2)C1 ZINC001057984176 773339440 /nfs/dbraw/zinc/33/94/40/773339440.db2.gz MWJBENHDRQTODO-UHFFFAOYSA-N 1 2 348.447 0.957 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)Cc1c[nH+]cn1C ZINC001058159557 773663324 /nfs/dbraw/zinc/66/33/24/773663324.db2.gz NVEIDZRSQPIUMO-KBPBESRZSA-N 1 2 336.436 0.358 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)CCn1cc[nH+]c1 ZINC001058200817 773758885 /nfs/dbraw/zinc/75/88/85/773758885.db2.gz WHZOWNIIBBDDSR-HNNXBMFYSA-N 1 2 336.436 0.813 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NC[C@]1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040629354 783134094 /nfs/dbraw/zinc/13/40/94/783134094.db2.gz JIJAOXGMOGZIND-SUMWQHHRSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001040634404 783144129 /nfs/dbraw/zinc/14/41/29/783144129.db2.gz ZIALEEKEEWHRHZ-CXAGYDPISA-N 1 2 334.420 0.634 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(c3[nH+]cnc4c3cnn4C)C2)nc1 ZINC001058407779 774124089 /nfs/dbraw/zinc/12/40/89/774124089.db2.gz VKAOGONMGYEAKF-CYBMUJFWSA-N 1 2 347.382 0.748 20 30 ECEDLO CCc1nc(C#N)cc(N2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)n1 ZINC001058413072 774132322 /nfs/dbraw/zinc/13/23/22/774132322.db2.gz KCNMWGGXENBCFS-LBPRGKRZSA-N 1 2 339.403 0.880 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001058437704 774178507 /nfs/dbraw/zinc/17/85/07/774178507.db2.gz JBVIQZSKUUMUQT-ZIAGYGMSSA-N 1 2 336.436 0.738 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001058437704 774178511 /nfs/dbraw/zinc/17/85/11/774178511.db2.gz JBVIQZSKUUMUQT-ZIAGYGMSSA-N 1 2 336.436 0.738 20 30 ECEDLO N#Cc1nccc(N2CC[C@H](NC(=O)[C@H]3CCc4c[nH+]cn4C3)C2)n1 ZINC001058481529 774272980 /nfs/dbraw/zinc/27/29/80/774272980.db2.gz UQCLPXHYXXHNEU-STQMWFEESA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1cncc(N2CC[C@H](NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)n1 ZINC001058541303 774393711 /nfs/dbraw/zinc/39/37/11/774393711.db2.gz HSCWWSLBFBRIFL-WCQYABFASA-N 1 2 337.387 0.886 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)CCO2 ZINC001068470110 790336825 /nfs/dbraw/zinc/33/68/25/790336825.db2.gz NROLREYQHFSGIS-KGLIPLIRSA-N 1 2 346.431 0.850 20 30 ECEDLO CC(C)C[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H](C)C#N)C1)n1cc[nH+]c1 ZINC001045552993 775784885 /nfs/dbraw/zinc/78/48/85/775784885.db2.gz ZBHXBWOQDGCHLB-KGLIPLIRSA-N 1 2 347.419 0.319 20 30 ECEDLO C=CCn1cc(C(=O)NC2(C)CC[NH+](Cc3nonc3C)CC2)nn1 ZINC001045580922 775829521 /nfs/dbraw/zinc/82/95/21/775829521.db2.gz XBMMKZPTBTXTMN-UHFFFAOYSA-N 1 2 345.407 0.940 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1cnccn1 ZINC001045733553 776106237 /nfs/dbraw/zinc/10/62/37/776106237.db2.gz LNHBMRZCGHFXOR-MJBXVCDLSA-N 1 2 342.403 0.640 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1cnccn1 ZINC001045733553 776106248 /nfs/dbraw/zinc/10/62/48/776106248.db2.gz LNHBMRZCGHFXOR-MJBXVCDLSA-N 1 2 342.403 0.640 20 30 ECEDLO C#CCOCCC(=O)N(CC)C1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001079773494 776840853 /nfs/dbraw/zinc/84/08/53/776840853.db2.gz NHSYPWXODSKBFX-OAHLLOKOSA-N 1 2 346.431 0.933 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C(C)C)nn2)[C@@H](n2ccnn2)C1 ZINC001070065666 790491984 /nfs/dbraw/zinc/49/19/84/790491984.db2.gz COIYJYLOCKKEBU-HIFRSBDPSA-N 1 2 342.407 0.129 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cn(C(C)C)nn2)[C@@H](n2ccnn2)C1 ZINC001070065666 790491987 /nfs/dbraw/zinc/49/19/87/790491987.db2.gz COIYJYLOCKKEBU-HIFRSBDPSA-N 1 2 342.407 0.129 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001079776501 776851622 /nfs/dbraw/zinc/85/16/22/776851622.db2.gz HYDGEBPQXLJUDV-HUUCEWRRSA-N 1 2 346.431 0.932 20 30 ECEDLO C=CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001079980009 777186662 /nfs/dbraw/zinc/18/66/62/777186662.db2.gz SZNSOXSZXZPHHN-CYBMUJFWSA-N 1 2 334.420 0.993 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001080020330 777245738 /nfs/dbraw/zinc/24/57/38/777245738.db2.gz RARZTVBAMAHCGQ-ADEWGFFLSA-N 1 2 344.253 0.858 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001080020330 777245750 /nfs/dbraw/zinc/24/57/50/777245750.db2.gz RARZTVBAMAHCGQ-ADEWGFFLSA-N 1 2 344.253 0.858 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001080020331 777246124 /nfs/dbraw/zinc/24/61/24/777246124.db2.gz RARZTVBAMAHCGQ-YUSALJHKSA-N 1 2 344.253 0.858 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001080020331 777246132 /nfs/dbraw/zinc/24/61/32/777246132.db2.gz RARZTVBAMAHCGQ-YUSALJHKSA-N 1 2 344.253 0.858 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2cccnc2)[C@@H](n2ccnn2)C1 ZINC001070076076 790521394 /nfs/dbraw/zinc/52/13/94/790521394.db2.gz IKWNEMLHBMNDTG-OIISXLGYSA-N 1 2 338.415 0.842 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)c2cccnc2)[C@@H](n2ccnn2)C1 ZINC001070076076 790521398 /nfs/dbraw/zinc/52/13/98/790521398.db2.gz IKWNEMLHBMNDTG-OIISXLGYSA-N 1 2 338.415 0.842 20 30 ECEDLO C=CCn1cc(C(=O)N2CC(N(CC)C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001080034769 777277240 /nfs/dbraw/zinc/27/72/40/777277240.db2.gz JBZXYTAWFKEOCV-UHFFFAOYSA-N 1 2 343.391 0.034 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001080259700 777620024 /nfs/dbraw/zinc/62/00/24/777620024.db2.gz JBYJWQPXFGKFPJ-HFBAOOFYSA-N 1 2 344.390 0.770 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001080259700 777620027 /nfs/dbraw/zinc/62/00/27/777620027.db2.gz JBYJWQPXFGKFPJ-HFBAOOFYSA-N 1 2 344.390 0.770 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3cnnn3CC)C[C@H]2C)c1 ZINC001080408570 777809191 /nfs/dbraw/zinc/80/91/91/777809191.db2.gz KMSRGTWCPODUSP-CXAGYDPISA-N 1 2 338.415 0.925 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3cnnn3CC)C[C@H]2C)c1 ZINC001080408570 777809199 /nfs/dbraw/zinc/80/91/99/777809199.db2.gz KMSRGTWCPODUSP-CXAGYDPISA-N 1 2 338.415 0.925 20 30 ECEDLO CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001080415774 777819620 /nfs/dbraw/zinc/81/96/20/777819620.db2.gz DHVIQRKHYSKLPR-CHWSQXEVSA-N 1 2 329.404 0.664 20 30 ECEDLO CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001080416006 777820683 /nfs/dbraw/zinc/82/06/83/777820683.db2.gz HOYJEWAHBCHLGN-QWHCGFSZSA-N 1 2 329.404 0.664 20 30 ECEDLO CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001080419686 777827110 /nfs/dbraw/zinc/82/71/10/777827110.db2.gz FEDUKHVEKZCLTO-LBPRGKRZSA-N 1 2 330.388 0.852 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3nccnc3c2)[C@@H](n2ccnn2)C1 ZINC001070091627 790572515 /nfs/dbraw/zinc/57/25/15/790572515.db2.gz XHSZXOUHWKBORW-SJORKVTESA-N 1 2 347.382 0.510 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3nccnc3c2)[C@@H](n2ccnn2)C1 ZINC001070091627 790572526 /nfs/dbraw/zinc/57/25/26/790572526.db2.gz XHSZXOUHWKBORW-SJORKVTESA-N 1 2 347.382 0.510 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2c(C)noc2C)[C@@H](n2ccnn2)C1 ZINC001070093707 790579212 /nfs/dbraw/zinc/57/92/12/790579212.db2.gz BQPWODUKYSTZJW-CVEARBPZSA-N 1 2 342.403 0.490 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2c(C)noc2C)[C@@H](n2ccnn2)C1 ZINC001070093707 790579221 /nfs/dbraw/zinc/57/92/21/790579221.db2.gz BQPWODUKYSTZJW-CVEARBPZSA-N 1 2 342.403 0.490 20 30 ECEDLO CC(C)C#CC(=O)NC[C@H]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)O1 ZINC001068570661 790598473 /nfs/dbraw/zinc/59/84/73/790598473.db2.gz AYGTZCICEOPRKP-CQSZACIVSA-N 1 2 344.415 0.488 20 30 ECEDLO C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001043438809 778336680 /nfs/dbraw/zinc/33/66/80/778336680.db2.gz GXFSASMQLMPWDS-MRXNPFEDSA-N 1 2 346.431 0.340 20 30 ECEDLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1Nc1ccnc(C#N)n1 ZINC001043598342 778568632 /nfs/dbraw/zinc/56/86/32/778568632.db2.gz BCAPFOUDEMMMBK-HKUMRIAESA-N 1 2 337.387 0.556 20 30 ECEDLO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1Nc1ccnc(C#N)n1 ZINC001043598342 778568636 /nfs/dbraw/zinc/56/86/36/778568636.db2.gz BCAPFOUDEMMMBK-HKUMRIAESA-N 1 2 337.387 0.556 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C[C@H](C)C2CC2)C1 ZINC001043650249 778667272 /nfs/dbraw/zinc/66/72/72/778667272.db2.gz UDBPFLUVRLAIMH-HOCLYGCPSA-N 1 2 347.459 0.210 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C[C@H](C)C2CC2)C1 ZINC001043650249 778667275 /nfs/dbraw/zinc/66/72/75/778667275.db2.gz UDBPFLUVRLAIMH-HOCLYGCPSA-N 1 2 347.459 0.210 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001043701086 778743760 /nfs/dbraw/zinc/74/37/60/778743760.db2.gz YDGSJNUEABLCQC-UHFFFAOYSA-N 1 2 346.431 0.709 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC23CCOCC3)[C@@H](n2ccnn2)C1 ZINC001070116212 790658759 /nfs/dbraw/zinc/65/87/59/790658759.db2.gz SNDQUQSUFSRQGE-OAGGEKHMSA-N 1 2 343.431 0.460 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC23CCOCC3)[C@@H](n2ccnn2)C1 ZINC001070116212 790658763 /nfs/dbraw/zinc/65/87/63/790658763.db2.gz SNDQUQSUFSRQGE-OAGGEKHMSA-N 1 2 343.431 0.460 20 30 ECEDLO C[C@H](C#N)C(=O)NCC1(NC(=O)CCCn2cc[nH+]c2)CCOCC1 ZINC001070158141 790780399 /nfs/dbraw/zinc/78/03/99/790780399.db2.gz YSHZUCZJBYFJHF-CQSZACIVSA-N 1 2 347.419 0.605 20 30 ECEDLO C=CC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C12CCC2 ZINC001078749144 780429136 /nfs/dbraw/zinc/42/91/36/780429136.db2.gz JNLKKZVZYJEHBK-CHWSQXEVSA-N 1 2 342.403 0.274 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CCC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001079093479 780758220 /nfs/dbraw/zinc/75/82/20/780758220.db2.gz RNHJKQXJHPAZNK-HOCLYGCPSA-N 1 2 346.431 0.830 20 30 ECEDLO C#CCCCC(=O)NCC1(O)CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001042804318 780851911 /nfs/dbraw/zinc/85/19/11/780851911.db2.gz AOXQRZUQZABLON-UHFFFAOYSA-N 1 2 340.383 0.670 20 30 ECEDLO CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001042861668 780955837 /nfs/dbraw/zinc/95/58/37/780955837.db2.gz QRAYTCPCLCSGRU-HUUCEWRRSA-N 1 2 340.387 0.249 20 30 ECEDLO CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001042872138 780971994 /nfs/dbraw/zinc/97/19/94/780971994.db2.gz JPIWCJHTJMALFG-ZIAGYGMSSA-N 1 2 326.360 0.239 20 30 ECEDLO C=CCCO[C@H](C)C(=O)N(CC)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001079447728 781129869 /nfs/dbraw/zinc/12/98/69/781129869.db2.gz RVCRWEJUUATLGB-CYBMUJFWSA-N 1 2 334.420 0.993 20 30 ECEDLO C=CCOCC(=O)N(CC)C1CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001079493953 781182867 /nfs/dbraw/zinc/18/28/67/781182867.db2.gz MPYGIJYOSJAXCO-UHFFFAOYSA-N 1 2 334.420 0.925 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC(N(CC)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001079546968 781253947 /nfs/dbraw/zinc/25/39/47/781253947.db2.gz FUEIKMYHFRUEMT-OAHLLOKOSA-N 1 2 337.464 0.979 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001079546968 781253950 /nfs/dbraw/zinc/25/39/50/781253950.db2.gz FUEIKMYHFRUEMT-OAHLLOKOSA-N 1 2 337.464 0.979 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001079547081 781254318 /nfs/dbraw/zinc/25/43/18/781254318.db2.gz JLEUCKGHBSNPOB-HNNXBMFYSA-N 1 2 337.464 0.979 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001079547081 781254324 /nfs/dbraw/zinc/25/43/24/781254324.db2.gz JLEUCKGHBSNPOB-HNNXBMFYSA-N 1 2 337.464 0.979 20 30 ECEDLO C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001043058849 781254539 /nfs/dbraw/zinc/25/45/39/781254539.db2.gz AOEWPEMZHDPUEB-UHFFFAOYSA-N 1 2 334.420 0.634 20 30 ECEDLO C#CCCCCC(=O)N1CC(O)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001043076878 781284174 /nfs/dbraw/zinc/28/41/74/781284174.db2.gz IWPBJLLZDDRTNV-OAHLLOKOSA-N 1 2 346.431 0.717 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC[C@@H]3C)C[C@H]2O)C1 ZINC001077640723 781407013 /nfs/dbraw/zinc/40/70/13/781407013.db2.gz MUQHEWCFSLCOEZ-ARFHVFGLSA-N 1 2 349.475 0.905 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC[C@@H]3C)C[C@H]2O)C1 ZINC001077640723 781407021 /nfs/dbraw/zinc/40/70/21/781407021.db2.gz MUQHEWCFSLCOEZ-ARFHVFGLSA-N 1 2 349.475 0.905 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3oc(C)nc3C)C[C@H]2O)c1 ZINC001077648423 781422345 /nfs/dbraw/zinc/42/23/45/781422345.db2.gz JXBSJAKHJQITGI-HZPDHXFCSA-N 1 2 340.383 0.643 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3oc(C)nc3C)C[C@H]2O)c1 ZINC001077648423 781422353 /nfs/dbraw/zinc/42/23/53/781422353.db2.gz JXBSJAKHJQITGI-HZPDHXFCSA-N 1 2 340.383 0.643 20 30 ECEDLO C#CC[N@H+]1CC[C@]2(CCN(C(=O)CS(=O)(=O)C3CCCC3)C2)C1 ZINC001041412641 781454690 /nfs/dbraw/zinc/45/46/90/781454690.db2.gz NTKZHZYSFFHNBB-KRWDZBQOSA-N 1 2 338.473 0.901 20 30 ECEDLO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)CS(=O)(=O)C3CCCC3)C2)C1 ZINC001041412641 781454699 /nfs/dbraw/zinc/45/46/99/781454699.db2.gz NTKZHZYSFFHNBB-KRWDZBQOSA-N 1 2 338.473 0.901 20 30 ECEDLO 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C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCn3ccnc3C2)CC1 ZINC001070976555 784293215 /nfs/dbraw/zinc/29/32/15/784293215.db2.gz HLCGPPGDPGFCGL-OAHLLOKOSA-N 1 2 345.447 0.282 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@]23CCC[C@H]2OCC3)CC1 ZINC001070978972 784301298 /nfs/dbraw/zinc/30/12/98/784301298.db2.gz LYALTNGDFCKLDJ-QAPCUYQASA-N 1 2 335.448 0.782 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@]23CCC[C@H]2OCC3)CC1 ZINC001070978972 784301308 /nfs/dbraw/zinc/30/13/08/784301308.db2.gz LYALTNGDFCKLDJ-QAPCUYQASA-N 1 2 335.448 0.782 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)c2c(OC)cc[nH]c2=O)CC1 ZINC001071015858 784423367 /nfs/dbraw/zinc/42/33/67/784423367.db2.gz XDOPBFYYIFAHJJ-UHFFFAOYSA-N 1 2 348.403 0.246 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)c2c(OC)cc[nH]c2=O)CC1 ZINC001071015858 784423376 /nfs/dbraw/zinc/42/33/76/784423376.db2.gz XDOPBFYYIFAHJJ-UHFFFAOYSA-N 1 2 348.403 0.246 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2Cc3cccnc3C2)CC1 ZINC001071017244 784429469 /nfs/dbraw/zinc/42/94/69/784429469.db2.gz MYLCSSSWAJORFG-INIZCTEOSA-N 1 2 342.443 0.633 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2Cc3cccnc3C2)CC1 ZINC001071017244 784429474 /nfs/dbraw/zinc/42/94/74/784429474.db2.gz MYLCSSSWAJORFG-INIZCTEOSA-N 1 2 342.443 0.633 20 30 ECEDLO Cc1nnc(CN[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2c[nH+]cn2C)o1 ZINC001070630537 784462186 /nfs/dbraw/zinc/46/21/86/784462186.db2.gz VDRIQFYMSSWBDM-RAIGVLPGSA-N 1 2 343.391 0.355 20 30 ECEDLO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2cncn2C)o1 ZINC001070630537 784462191 /nfs/dbraw/zinc/46/21/91/784462191.db2.gz VDRIQFYMSSWBDM-RAIGVLPGSA-N 1 2 343.391 0.355 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ccc3nccn3c2)C[C@H]1NCC#N ZINC001070708263 784576107 /nfs/dbraw/zinc/57/61/07/784576107.db2.gz GIVRCULWBOURPO-HUUCEWRRSA-N 1 2 349.398 0.789 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)COc2ccccc2)C[C@H]1NCC#N ZINC001070713772 784584523 /nfs/dbraw/zinc/58/45/23/784584523.db2.gz JZCLHXLPGQJXQT-HZPDHXFCSA-N 1 2 339.399 0.907 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@H]1NCC#N ZINC001070715418 784587047 /nfs/dbraw/zinc/58/70/47/784587047.db2.gz JDKDKFFCLAZKCM-CHWSQXEVSA-N 1 2 326.360 0.242 20 30 ECEDLO C[N@@H+]1CCCC[C@@H]1C(=O)NCc1nc([C@H]2C[C@H](F)CN2CC#N)n[nH]1 ZINC001070732631 784625048 /nfs/dbraw/zinc/62/50/48/784625048.db2.gz WXEMCJBLRKZKBG-YNEHKIRRSA-N 1 2 349.414 0.514 20 30 ECEDLO C[N@H+]1CCCC[C@@H]1C(=O)NCc1nc([C@H]2C[C@H](F)CN2CC#N)n[nH]1 ZINC001070732631 784625056 /nfs/dbraw/zinc/62/50/56/784625056.db2.gz WXEMCJBLRKZKBG-YNEHKIRRSA-N 1 2 349.414 0.514 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1ncnn1)C[C@@H](C)O2 ZINC001071169313 784647669 /nfs/dbraw/zinc/64/76/69/784647669.db2.gz PAGWKNLHIAGQJW-TZMCWYRMSA-N 1 2 340.815 0.117 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1ncnn1)C[C@@H](C)O2 ZINC001071169313 784647672 /nfs/dbraw/zinc/64/76/72/784647672.db2.gz PAGWKNLHIAGQJW-TZMCWYRMSA-N 1 2 340.815 0.117 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@H]3CCCO3)C2)C(=O)C1 ZINC001071252983 784841910 /nfs/dbraw/zinc/84/19/10/784841910.db2.gz DFLPAICLUADFLL-JKSUJKDBSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@H]3CCCO3)C2)C(=O)C1 ZINC001071252983 784841915 /nfs/dbraw/zinc/84/19/15/784841915.db2.gz DFLPAICLUADFLL-JKSUJKDBSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)C3=COCCO3)C2)C(=O)C1 ZINC001071253573 784844379 /nfs/dbraw/zinc/84/43/79/784844379.db2.gz NXNMIBULUPUSOB-OAHLLOKOSA-N 1 2 347.415 0.033 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)C3=COCCO3)C2)C(=O)C1 ZINC001071253573 784844385 /nfs/dbraw/zinc/84/43/85/784844385.db2.gz NXNMIBULUPUSOB-OAHLLOKOSA-N 1 2 347.415 0.033 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3ccnn3C)C2)C(=O)C1 ZINC001071256696 784856528 /nfs/dbraw/zinc/85/65/28/784856528.db2.gz FISVOFLBPRVKEK-HNNXBMFYSA-N 1 2 343.431 0.192 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3ccnn3C)C2)C(=O)C1 ZINC001071256696 784856534 /nfs/dbraw/zinc/85/65/34/784856534.db2.gz FISVOFLBPRVKEK-HNNXBMFYSA-N 1 2 343.431 0.192 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C(=O)C1 ZINC001071269416 784898958 /nfs/dbraw/zinc/89/89/58/784898958.db2.gz SFQZOXZFQWPXPJ-LISAXSMJSA-N 1 2 345.443 0.037 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C(=O)C1 ZINC001071269416 784898965 /nfs/dbraw/zinc/89/89/65/784898965.db2.gz SFQZOXZFQWPXPJ-LISAXSMJSA-N 1 2 345.443 0.037 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC[C@@H](N2CC[N@@H+](C[C@H](C)O)CC2=O)C1 ZINC001071269308 784899629 /nfs/dbraw/zinc/89/96/29/784899629.db2.gz PXPAVNQIJUBRJF-LSDHHAIUSA-N 1 2 337.464 0.715 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC[C@@H](N2CC[N@H+](C[C@H](C)O)CC2=O)C1 ZINC001071269308 784899638 /nfs/dbraw/zinc/89/96/38/784899638.db2.gz PXPAVNQIJUBRJF-LSDHHAIUSA-N 1 2 337.464 0.715 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3n[nH]cc3F)C2)C(=O)C1 ZINC001071272429 784906871 /nfs/dbraw/zinc/90/68/71/784906871.db2.gz OQPRVEAFGXQHAG-ZDUSSCGKSA-N 1 2 347.394 0.321 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3n[nH]cc3F)C2)C(=O)C1 ZINC001071272429 784906875 /nfs/dbraw/zinc/90/68/75/784906875.db2.gz OQPRVEAFGXQHAG-ZDUSSCGKSA-N 1 2 347.394 0.321 20 30 ECEDLO C[C@H]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C[N@@H+]1Cc1cnnn1C ZINC001071430723 785078140 /nfs/dbraw/zinc/07/81/40/785078140.db2.gz FMCSDYKEZCKZIW-AAEUAGOBSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@H]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C[N@H+]1Cc1cnnn1C ZINC001071430723 785078150 /nfs/dbraw/zinc/07/81/50/785078150.db2.gz FMCSDYKEZCKZIW-AAEUAGOBSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001071875154 785254141 /nfs/dbraw/zinc/25/41/41/785254141.db2.gz SCQCAEOCANLAHC-SWLSCSKDSA-N 1 2 340.387 0.750 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(=O)NC)C2)nn1 ZINC001071886433 785271652 /nfs/dbraw/zinc/27/16/52/785271652.db2.gz DDLGJJKDHILXCV-QWHCGFSZSA-N 1 2 334.424 0.183 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(=O)NC)C2)nn1 ZINC001071886433 785271661 /nfs/dbraw/zinc/27/16/61/785271661.db2.gz DDLGJJKDHILXCV-QWHCGFSZSA-N 1 2 334.424 0.183 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001072005964 785515532 /nfs/dbraw/zinc/51/55/32/785515532.db2.gz QNBNFLYHZOBTDI-STQMWFEESA-N 1 2 330.388 0.162 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001072005964 785515536 /nfs/dbraw/zinc/51/55/36/785515536.db2.gz QNBNFLYHZOBTDI-STQMWFEESA-N 1 2 330.388 0.162 20 30 ECEDLO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)CCc1c[nH+]cn1C ZINC001072040661 785564623 /nfs/dbraw/zinc/56/46/23/785564623.db2.gz ZFSFLHGPYGQRLR-CJNGLKHVSA-N 1 2 328.416 0.729 20 30 ECEDLO C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1NC(=O)CSCC#N ZINC001072373493 786099147 /nfs/dbraw/zinc/09/91/47/786099147.db2.gz WTWRYLXAQUVLPA-KBPBESRZSA-N 1 2 349.460 0.883 20 30 ECEDLO CC(C)C#CC(=O)N[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001072511168 786303883 /nfs/dbraw/zinc/30/38/83/786303883.db2.gz XJRSVZOFGXCCRV-HUUCEWRRSA-N 1 2 330.432 0.975 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1NC(=O)C#CC1CC1 ZINC001072515698 786314165 /nfs/dbraw/zinc/31/41/65/786314165.db2.gz KFVUNNWHUWIOHW-CZUORRHYSA-N 1 2 328.416 0.729 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@H+](CC(=O)Nc1cnccn1)C2 ZINC001072551155 786355083 /nfs/dbraw/zinc/35/50/83/786355083.db2.gz BIFBHDBZUVVQBJ-LBPRGKRZSA-N 1 2 328.376 0.109 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](CC(=O)Nc1cnccn1)C2 ZINC001072551155 786355087 /nfs/dbraw/zinc/35/50/87/786355087.db2.gz BIFBHDBZUVVQBJ-LBPRGKRZSA-N 1 2 328.376 0.109 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@H+](CC(=O)Nc1cnccn1)C2 ZINC001072551154 786355353 /nfs/dbraw/zinc/35/53/53/786355353.db2.gz BIFBHDBZUVVQBJ-GFCCVEGCSA-N 1 2 328.376 0.109 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](CC(=O)Nc1cnccn1)C2 ZINC001072551154 786355355 /nfs/dbraw/zinc/35/53/55/786355355.db2.gz BIFBHDBZUVVQBJ-GFCCVEGCSA-N 1 2 328.376 0.109 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn4c(n3)CCC4)C[C@@H]21 ZINC001074244627 786497750 /nfs/dbraw/zinc/49/77/50/786497750.db2.gz ISZQQXQFZGKFOJ-HOTGVXAUSA-N 1 2 328.416 0.768 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn4c(n3)CCC4)C[C@@H]21 ZINC001074244627 786497756 /nfs/dbraw/zinc/49/77/56/786497756.db2.gz ISZQQXQFZGKFOJ-HOTGVXAUSA-N 1 2 328.416 0.768 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnc4n[nH]nc4c3)C[C@@H]21 ZINC001074266531 786546783 /nfs/dbraw/zinc/54/67/83/786546783.db2.gz LYJQOVUWMYAJGG-LSDHHAIUSA-N 1 2 340.387 0.292 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnc4n[nH]nc4c3)C[C@@H]21 ZINC001074266531 786546790 /nfs/dbraw/zinc/54/67/90/786546790.db2.gz LYJQOVUWMYAJGG-LSDHHAIUSA-N 1 2 340.387 0.292 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3cc(C4CC4)nn3)C[C@H]21 ZINC001074266567 786546873 /nfs/dbraw/zinc/54/68/73/786546873.db2.gz MSBKDDBWMPKFOC-SJORKVTESA-N 1 2 343.431 0.481 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3cc(C4CC4)nn3)C[C@H]21 ZINC001074266567 786546877 /nfs/dbraw/zinc/54/68/77/786546877.db2.gz MSBKDDBWMPKFOC-SJORKVTESA-N 1 2 343.431 0.481 20 30 ECEDLO C=CCn1cccc1C(=O)N1CC[C@@H]2OCC[N@@H+](CCCO)[C@H]2C1 ZINC001074269136 786552714 /nfs/dbraw/zinc/55/27/14/786552714.db2.gz SAANKDHZIMBGQH-IRXDYDNUSA-N 1 2 333.432 0.972 20 30 ECEDLO C=CCn1cccc1C(=O)N1CC[C@@H]2OCC[N@H+](CCCO)[C@H]2C1 ZINC001074269136 786552720 /nfs/dbraw/zinc/55/27/20/786552720.db2.gz SAANKDHZIMBGQH-IRXDYDNUSA-N 1 2 333.432 0.972 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C[C@H]21 ZINC001074281982 786583899 /nfs/dbraw/zinc/58/38/99/786583899.db2.gz KVBIJFSDCFFBBA-CVEARBPZSA-N 1 2 328.416 0.837 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C[C@H]21 ZINC001074281982 786583908 /nfs/dbraw/zinc/58/39/08/786583908.db2.gz KVBIJFSDCFFBBA-CVEARBPZSA-N 1 2 328.416 0.837 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnc4nccn4c3)C[C@H]21 ZINC001074292544 786610283 /nfs/dbraw/zinc/61/02/83/786610283.db2.gz XFKIIAKJKKJUJH-CVEARBPZSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnc4nccn4c3)C[C@H]21 ZINC001074292544 786610287 /nfs/dbraw/zinc/61/02/87/786610287.db2.gz XFKIIAKJKKJUJH-CVEARBPZSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3cn(CC)nn3)C[C@H]21 ZINC001074301728 786630309 /nfs/dbraw/zinc/63/03/09/786630309.db2.gz GBMHDGRCZCIDRI-HZPDHXFCSA-N 1 2 331.420 0.166 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3cn(CC)nn3)C[C@H]21 ZINC001074301728 786630315 /nfs/dbraw/zinc/63/03/15/786630315.db2.gz GBMHDGRCZCIDRI-HZPDHXFCSA-N 1 2 331.420 0.166 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnn4cccnc34)C[C@H]21 ZINC001074311776 786651268 /nfs/dbraw/zinc/65/12/68/786651268.db2.gz CEWTYRGUEIXVNZ-HZPDHXFCSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnn4cccnc34)C[C@H]21 ZINC001074311776 786651276 /nfs/dbraw/zinc/65/12/76/786651276.db2.gz CEWTYRGUEIXVNZ-HZPDHXFCSA-N 1 2 339.399 0.668 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2COCCN2C)C1 ZINC001073578628 786666627 /nfs/dbraw/zinc/66/66/27/786666627.db2.gz RPSVYIGYMLVUCB-KBPBESRZSA-N 1 2 331.844 0.277 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2COCCN2C)C1 ZINC001073578628 786666633 /nfs/dbraw/zinc/66/66/33/786666633.db2.gz RPSVYIGYMLVUCB-KBPBESRZSA-N 1 2 331.844 0.277 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3ccc(OC)cn3)C[C@@H]21 ZINC001074326426 786680492 /nfs/dbraw/zinc/68/04/92/786680492.db2.gz FFRCELMSSOMZBC-ROUUACIJSA-N 1 2 343.427 0.958 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3ccc(OC)cn3)C[C@@H]21 ZINC001074326426 786680499 /nfs/dbraw/zinc/68/04/99/786680499.db2.gz FFRCELMSSOMZBC-ROUUACIJSA-N 1 2 343.427 0.958 20 30 ECEDLO C=CCCC(=O)N1CC(N2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001073594321 786724630 /nfs/dbraw/zinc/72/46/30/786724630.db2.gz NCZZNQSSQUISOJ-UHFFFAOYSA-N 1 2 331.420 0.273 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@H]21 ZINC001074408642 786890044 /nfs/dbraw/zinc/89/00/44/786890044.db2.gz ZLPVETYSUDKGRN-HZPDHXFCSA-N 1 2 329.400 0.173 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@H]21 ZINC001074408642 786890052 /nfs/dbraw/zinc/89/00/52/786890052.db2.gz ZLPVETYSUDKGRN-HZPDHXFCSA-N 1 2 329.400 0.173 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3ccccc3=O)C[C@H]21 ZINC001074408640 786890794 /nfs/dbraw/zinc/89/07/94/786890794.db2.gz ZLPVETYSUDKGRN-CVEARBPZSA-N 1 2 329.400 0.173 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21 ZINC001074408643 786890724 /nfs/dbraw/zinc/89/07/24/786890724.db2.gz ZLPVETYSUDKGRN-JKSUJKDBSA-N 1 2 329.400 0.173 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21 ZINC001074408643 786890734 /nfs/dbraw/zinc/89/07/34/786890734.db2.gz ZLPVETYSUDKGRN-JKSUJKDBSA-N 1 2 329.400 0.173 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3ccccc3=O)C[C@H]21 ZINC001074408640 786890784 /nfs/dbraw/zinc/89/07/84/786890784.db2.gz ZLPVETYSUDKGRN-CVEARBPZSA-N 1 2 329.400 0.173 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C[C@H]21 ZINC001074414789 786911481 /nfs/dbraw/zinc/91/14/81/786911481.db2.gz FKBQBFGQNJMXTO-HIFRSBDPSA-N 1 2 334.420 0.215 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C[C@H]21 ZINC001074414789 786911489 /nfs/dbraw/zinc/91/14/89/786911489.db2.gz FKBQBFGQNJMXTO-HIFRSBDPSA-N 1 2 334.420 0.215 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2cc(C(N)=O)co2)C1 ZINC001073766244 787160476 /nfs/dbraw/zinc/16/04/76/787160476.db2.gz AEQDMCAMSYHPCC-GFCCVEGCSA-N 1 2 341.795 0.952 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2cc(C(N)=O)co2)C1 ZINC001073766244 787160480 /nfs/dbraw/zinc/16/04/80/787160480.db2.gz AEQDMCAMSYHPCC-GFCCVEGCSA-N 1 2 341.795 0.952 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001073820801 787265160 /nfs/dbraw/zinc/26/51/60/787265160.db2.gz WTKAPYONFBGNPK-HOCLYGCPSA-N 1 2 348.447 0.909 20 30 ECEDLO C#CCCCC(=O)N1CCC(O)(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001074565370 787270066 /nfs/dbraw/zinc/27/00/66/787270066.db2.gz DSYMOVAINDSWHM-UHFFFAOYSA-N 1 2 346.431 0.616 20 30 ECEDLO C#CCCCC(=O)N1CCC(O)(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001074565370 787270071 /nfs/dbraw/zinc/27/00/71/787270071.db2.gz DSYMOVAINDSWHM-UHFFFAOYSA-N 1 2 346.431 0.616 20 30 ECEDLO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001073899340 787474056 /nfs/dbraw/zinc/47/40/56/787474056.db2.gz QWDJNOUBSFWOEE-HNNXBMFYSA-N 1 2 339.399 0.926 20 30 ECEDLO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001073899340 787474057 /nfs/dbraw/zinc/47/40/57/787474057.db2.gz QWDJNOUBSFWOEE-HNNXBMFYSA-N 1 2 339.399 0.926 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC(O)(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001074662132 787534331 /nfs/dbraw/zinc/53/43/31/787534331.db2.gz FJEJXIFTXVITDS-UHFFFAOYSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC(O)(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001074680374 787576811 /nfs/dbraw/zinc/57/68/11/787576811.db2.gz UEBBMPSXLPMICG-CABCVRRESA-N 1 2 348.447 0.811 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001073959703 787585396 /nfs/dbraw/zinc/58/53/96/787585396.db2.gz HEXNJGXMUZWYFL-HZPDHXFCSA-N 1 2 346.431 0.666 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001073959474 787585505 /nfs/dbraw/zinc/58/55/05/787585505.db2.gz FKDHNAIYHBDUCD-ZIAGYGMSSA-N 1 2 332.404 0.345 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001073960239 787587160 /nfs/dbraw/zinc/58/71/60/787587160.db2.gz LLEMAFZAADSNIX-CABCVRRESA-N 1 2 346.431 0.735 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001073963474 787594423 /nfs/dbraw/zinc/59/44/23/787594423.db2.gz SKDKYGWYLJLMIL-HIFRSBDPSA-N 1 2 332.404 0.345 20 30 ECEDLO C=CCCCC(=O)N1CCC(O)(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001074699137 787632859 /nfs/dbraw/zinc/63/28/59/787632859.db2.gz URQOTETXODZCBV-UHFFFAOYSA-N 1 2 334.420 0.778 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001074759314 787775191 /nfs/dbraw/zinc/77/51/91/787775191.db2.gz RLPDZZAUMRLBFZ-KGLIPLIRSA-N 1 2 348.447 0.880 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001074084533 787838330 /nfs/dbraw/zinc/83/83/30/787838330.db2.gz IVSFCJDHFJCVDV-HZPDHXFCSA-N 1 2 346.431 0.666 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)CSCC#N)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001074844371 788421724 /nfs/dbraw/zinc/42/17/24/788421724.db2.gz ZHVMIEXKVUMAHY-NEPJUHHUSA-N 1 2 335.433 0.705 20 30 ECEDLO CC1(NC(=O)Cc2c[nH]c[nH+]2)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001072931821 789131083 /nfs/dbraw/zinc/13/10/83/789131083.db2.gz HBOWACIUNWDARK-UHFFFAOYSA-N 1 2 340.387 0.963 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCS(C)(=O)=O)C2 ZINC001072994697 789245393 /nfs/dbraw/zinc/24/53/93/789245393.db2.gz NIHFGEIOOKWIPS-KGLIPLIRSA-N 1 2 342.461 0.156 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCS(C)(=O)=O)C2 ZINC001072994697 789245403 /nfs/dbraw/zinc/24/54/03/789245403.db2.gz NIHFGEIOOKWIPS-KGLIPLIRSA-N 1 2 342.461 0.156 20 30 ECEDLO C#CCOCCC(=O)N1CCC(C)(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001073025437 789295889 /nfs/dbraw/zinc/29/58/89/789295889.db2.gz MPZPWMBZNVOBJO-UHFFFAOYSA-N 1 2 346.431 0.880 20 30 ECEDLO N#CCN[C@H]1CCCO[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001075415032 789343525 /nfs/dbraw/zinc/34/35/25/789343525.db2.gz CYXKCPYBHMXQHK-YOEHRIQHSA-N 1 2 331.420 0.852 20 30 ECEDLO N#Cc1cnc(N2CC[C@@]3(NC(=O)Cn4cc[nH+]c4)CCC[C@H]23)cn1 ZINC001069268685 789720194 /nfs/dbraw/zinc/72/01/94/789720194.db2.gz JNHFHXKCYWCTIW-YOEHRIQHSA-N 1 2 337.387 0.863 20 30 ECEDLO N#Cc1nccc(N2CC[C@@]3(NC(=O)Cn4cc[nH+]c4)CCC[C@H]23)n1 ZINC001069269128 789720350 /nfs/dbraw/zinc/72/03/50/789720350.db2.gz QLHYHIQWMAQGJU-GUYCJALGSA-N 1 2 337.387 0.863 20 30 ECEDLO CCC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CCN(C(=O)C#CC2CC2)CC1 ZINC001069363490 789773710 /nfs/dbraw/zinc/77/37/10/789773710.db2.gz IHGATOQRRONRKA-INIZCTEOSA-N 1 2 347.459 0.618 20 30 ECEDLO CCC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCN(C(=O)C#CC2CC2)CC1 ZINC001069363490 789773714 /nfs/dbraw/zinc/77/37/14/789773714.db2.gz IHGATOQRRONRKA-INIZCTEOSA-N 1 2 347.459 0.618 20 30 ECEDLO C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCCN1c1ccnc(C#N)n1 ZINC001069376557 789784393 /nfs/dbraw/zinc/78/43/93/789784393.db2.gz ZKRMFEFZLCWIEV-QWHCGFSZSA-N 1 2 325.376 0.718 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC001073393387 789784683 /nfs/dbraw/zinc/78/46/83/789784683.db2.gz IWGUFUUCUXDMSR-OAHLLOKOSA-N 1 2 346.431 0.735 20 30 ECEDLO N#Cc1nccnc1NC[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001069475596 789850200 /nfs/dbraw/zinc/85/02/00/789850200.db2.gz JJZGAPARGIAWGN-OLZOCXBDSA-N 1 2 325.376 0.942 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CCCC(=O)N3)c2C1 ZINC001069864614 790120236 /nfs/dbraw/zinc/12/02/36/790120236.db2.gz YUBVCGZZNWXBCC-CQSZACIVSA-N 1 2 331.420 0.560 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CCCC(=O)N3)c2C1 ZINC001069864614 790120240 /nfs/dbraw/zinc/12/02/40/790120240.db2.gz YUBVCGZZNWXBCC-CQSZACIVSA-N 1 2 331.420 0.560 20 30 ECEDLO C#CCN1CCn2ncc(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)c2C1 ZINC001069864388 790120489 /nfs/dbraw/zinc/12/04/89/790120489.db2.gz NKWLBJNTVNXAPK-CQSZACIVSA-N 1 2 338.415 0.407 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001069908487 790177495 /nfs/dbraw/zinc/17/74/95/790177495.db2.gz ZQLYICZHUQVFNN-XHSDSOJGSA-N 1 2 331.420 0.602 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001069908487 790177496 /nfs/dbraw/zinc/17/74/96/790177496.db2.gz ZQLYICZHUQVFNN-XHSDSOJGSA-N 1 2 331.420 0.602 20 30 ECEDLO C#CCCCC(=O)N[C@H]1COC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001068839503 791236818 /nfs/dbraw/zinc/23/68/18/791236818.db2.gz PVDJVYGSPCCGIM-OAHLLOKOSA-N 1 2 344.415 0.563 20 30 ECEDLO CC(C)C#CC(=O)N[C@@H]1COC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001068858872 791278983 /nfs/dbraw/zinc/27/89/83/791278983.db2.gz LKYYFACDAORHDU-HNNXBMFYSA-N 1 2 344.415 0.488 20 30 ECEDLO CC(C)C#CC(=O)N[C@@H]1COC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001068858872 791278990 /nfs/dbraw/zinc/27/89/90/791278990.db2.gz LKYYFACDAORHDU-HNNXBMFYSA-N 1 2 344.415 0.488 20 30 ECEDLO C[C@@H]1[C@H](Nc2ccnc(C#N)n2)CCN1C(=O)CCc1c[nH+]cn1C ZINC001068881757 791336443 /nfs/dbraw/zinc/33/64/43/791336443.db2.gz RKTXSXYKHHOENI-TZMCWYRMSA-N 1 2 339.403 0.538 20 30 ECEDLO C=CCCOCC(=O)N[C@H]1COC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001068912185 791404312 /nfs/dbraw/zinc/40/43/12/791404312.db2.gz YYCMHJSZPPLULF-CYBMUJFWSA-N 1 2 348.403 0.031 20 30 ECEDLO C[C@H]1C[C@@H](Nc2cnc(C#N)cn2)CN1C(=O)Cc1c[nH+]cn1C ZINC001069122360 791723048 /nfs/dbraw/zinc/72/30/48/791723048.db2.gz RJROBKADAJPARR-NWDGAFQWSA-N 1 2 325.376 0.726 20 30 ECEDLO Cc1nsc(NC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CCO2)c1C#N ZINC001066680630 791976454 /nfs/dbraw/zinc/97/64/54/791976454.db2.gz MRUJWOUABMWUAF-GFCCVEGCSA-N 1 2 346.416 0.928 20 30 ECEDLO CSCC(=O)N1CC[C@@H]([NH+]2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001066696454 792012134 /nfs/dbraw/zinc/01/21/34/792012134.db2.gz KKWJNXONYBZAQJ-CQSZACIVSA-N 1 2 346.460 0.434 20 30 ECEDLO CC(C)(F)C(=O)N1CC[C@@H]([NH+]2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001066697063 792013675 /nfs/dbraw/zinc/01/36/75/792013675.db2.gz YBVQTLUTEHZFKY-CYBMUJFWSA-N 1 2 346.410 0.819 20 30 ECEDLO C[C@H]1C[C@@H]1C(=O)N1CC[C@H]([NH+]2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001066699516 792025625 /nfs/dbraw/zinc/02/56/25/792025625.db2.gz ACPJYDQKGKDIFA-BPUTZDHNSA-N 1 2 340.431 0.727 20 30 ECEDLO N#Cc1cncc(N2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001066753766 792104129 /nfs/dbraw/zinc/10/41/29/792104129.db2.gz NOIUEUWYJAMULI-CYBMUJFWSA-N 1 2 325.376 0.720 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1CN(C)c1[nH+]cnc2c1cnn2C ZINC001067742941 792212092 /nfs/dbraw/zinc/21/20/92/792212092.db2.gz RTVQRBBTPZNNDT-NWDGAFQWSA-N 1 2 327.392 0.950 20 30 ECEDLO N#Cc1cnccc1N[C@]1(CO)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001066923382 792393812 /nfs/dbraw/zinc/39/38/12/792393812.db2.gz JJQZWLSBPXJULT-QGZVFWFLSA-N 1 2 340.387 0.106 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1Nc1cnc(C#N)cn1 ZINC001067083918 792681861 /nfs/dbraw/zinc/68/18/61/792681861.db2.gz IFBNJKVOXAUTJU-WCQYABFASA-N 1 2 325.376 0.963 20 30 ECEDLO CC1(C)CN(c2ccc(C#N)nn2)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001068116047 792698338 /nfs/dbraw/zinc/69/83/38/792698338.db2.gz YCCJWOZINWAUQZ-ZDUSSCGKSA-N 1 2 325.376 0.576 20 30 ECEDLO CC1(C)CN(c2ccc(C#N)nn2)C[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001068139485 792735641 /nfs/dbraw/zinc/73/56/41/792735641.db2.gz DYRWUOXPPNSGEY-ZDUSSCGKSA-N 1 2 325.376 0.645 20 30 ECEDLO CC1(C)CN(c2ccnc(C#N)n2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067327129 792994475 /nfs/dbraw/zinc/99/44/75/792994475.db2.gz OUJYLLPTJQUUND-ZDUSSCGKSA-N 1 2 339.403 0.966 20 30 ECEDLO C=CCCC(=O)N1CCOC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001068344307 793090343 /nfs/dbraw/zinc/09/03/43/793090343.db2.gz NCTHSABIBPBGED-UHFFFAOYSA-N 1 2 332.404 0.679 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)CCc1c[nH+]cn1C ZINC001067427272 793139698 /nfs/dbraw/zinc/13/96/98/793139698.db2.gz PBHFGNTWNUGTQE-OAHLLOKOSA-N 1 2 348.447 0.698 20 30 ECEDLO CC(C)C#CC(=O)N1CC2(C1)CN(C(=O)CCc1[nH]cc[nH+]1)CCO2 ZINC001068388467 793179191 /nfs/dbraw/zinc/17/91/91/793179191.db2.gz DTGYLRCWCCDPKJ-UHFFFAOYSA-N 1 2 344.415 0.442 20 30 ECEDLO C=CCn1cc(C(=O)N(C)CCCN(C)C(=O)Cn2cc[nH+]c2)nn1 ZINC001067458049 793190406 /nfs/dbraw/zinc/19/04/06/793190406.db2.gz FIHXYEXQDFYKDX-UHFFFAOYSA-N 1 2 345.407 0.281 20 30 ECEDLO C=CCCC(=O)N1CC2(C1)CN(C(=O)Cc1c[nH+]cn1C)CCO2 ZINC001068416471 793270410 /nfs/dbraw/zinc/27/04/10/793270410.db2.gz PICGOXOVEVQJAB-UHFFFAOYSA-N 1 2 332.404 0.369 20 30 ECEDLO CCCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267541236 837726343 /nfs/dbraw/zinc/72/63/43/837726343.db2.gz XZOPIKPROFURSZ-HNNXBMFYSA-N 1 2 342.403 0.453 20 30 ECEDLO CCCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267541236 837726348 /nfs/dbraw/zinc/72/63/48/837726348.db2.gz XZOPIKPROFURSZ-HNNXBMFYSA-N 1 2 342.403 0.453 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cn[nH]n2)C1 ZINC001267544804 837735290 /nfs/dbraw/zinc/73/52/90/837735290.db2.gz UEQQFIGNGJLZAA-QWHCGFSZSA-N 1 2 334.424 0.422 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(CCC)C(=O)c2cn[nH]n2)C1 ZINC001267544804 837735297 /nfs/dbraw/zinc/73/52/97/837735297.db2.gz UEQQFIGNGJLZAA-QWHCGFSZSA-N 1 2 334.424 0.422 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)CCOCC(F)(F)F ZINC001267573538 837816982 /nfs/dbraw/zinc/81/69/82/837816982.db2.gz STFNZAPDRZESQR-UHFFFAOYSA-N 1 2 336.358 0.555 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CCN(C)C(=O)[C@@H]2CC23CCC3)CC1 ZINC001267575733 837828974 /nfs/dbraw/zinc/82/89/74/837828974.db2.gz JGVZCQXYQVQZEX-INIZCTEOSA-N 1 2 346.475 0.002 20 30 ECEDLO C#CC[NH+]1CCN(CCN(C)C(=O)CCn2cc(Cl)cn2)CC1 ZINC001267576972 837833492 /nfs/dbraw/zinc/83/34/92/837833492.db2.gz CKOYQFOLEVWAPO-UHFFFAOYSA-N 1 2 337.855 0.636 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NCCC)C2)cn1 ZINC001266245622 835551404 /nfs/dbraw/zinc/55/14/04/835551404.db2.gz DIONRBFINDLXFL-MRXNPFEDSA-N 1 2 328.416 0.783 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NCCC)C2)cn1 ZINC001266245622 835551408 /nfs/dbraw/zinc/55/14/08/835551408.db2.gz DIONRBFINDLXFL-MRXNPFEDSA-N 1 2 328.416 0.783 20 30 ECEDLO CO[C@@H](C)C(=O)NCC[NH+]1CCN(CC#Cc2ccccc2)CC1 ZINC001266281742 835610191 /nfs/dbraw/zinc/61/01/91/835610191.db2.gz YTXFJAMNCAKBLZ-KRWDZBQOSA-N 1 2 329.444 0.807 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[NH+]1CCN([C@@H](C)c2cnccn2)CC1 ZINC001266283127 835613190 /nfs/dbraw/zinc/61/31/90/835613190.db2.gz FPTYKBPYZKCPPD-MAUKXSAKSA-N 1 2 347.463 0.599 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cnn(-c2ccccc2)c1 ZINC001266295272 835642081 /nfs/dbraw/zinc/64/20/81/835642081.db2.gz FBUGETFYDYFHFJ-UHFFFAOYSA-N 1 2 341.415 0.836 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cnn(-c2ccccc2)c1 ZINC001266295272 835642083 /nfs/dbraw/zinc/64/20/83/835642083.db2.gz FBUGETFYDYFHFJ-UHFFFAOYSA-N 1 2 341.415 0.836 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1c[nH]c(Br)c1 ZINC001266298552 835654066 /nfs/dbraw/zinc/65/40/66/835654066.db2.gz KPRBHXLBJOTYDY-UHFFFAOYSA-N 1 2 341.209 0.188 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1c[nH]c(Br)c1 ZINC001266298552 835654068 /nfs/dbraw/zinc/65/40/68/835654068.db2.gz KPRBHXLBJOTYDY-UHFFFAOYSA-N 1 2 341.209 0.188 20 30 ECEDLO CC#CCCCC(=O)NCC[N@H+](C)CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC001266312031 835679328 /nfs/dbraw/zinc/67/93/28/835679328.db2.gz PLRIXXFHCRRNJN-HZPDHXFCSA-N 1 2 337.464 0.864 20 30 ECEDLO CC#CCCCC(=O)NCC[N@@H+](C)CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC001266312031 835679329 /nfs/dbraw/zinc/67/93/29/835679329.db2.gz PLRIXXFHCRRNJN-HZPDHXFCSA-N 1 2 337.464 0.864 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2cc(C)nnc2C)C1 ZINC001266321265 835692803 /nfs/dbraw/zinc/69/28/03/835692803.db2.gz NKGRSCDCEFVGOV-KGLIPLIRSA-N 1 2 331.420 0.588 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cc(C)nnc2C)C1 ZINC001266321265 835692806 /nfs/dbraw/zinc/69/28/06/835692806.db2.gz NKGRSCDCEFVGOV-KGLIPLIRSA-N 1 2 331.420 0.588 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(OC(C)C)nc2)C1 ZINC001266322236 835695585 /nfs/dbraw/zinc/69/55/85/835695585.db2.gz CUBUTXMUFNPMHI-HNNXBMFYSA-N 1 2 344.415 0.422 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(OC(C)C)nc2)C1 ZINC001266322236 835695590 /nfs/dbraw/zinc/69/55/90/835695590.db2.gz CUBUTXMUFNPMHI-HNNXBMFYSA-N 1 2 344.415 0.422 20 30 ECEDLO Cc1ccn2ncc(C(=O)N[C@H]3CC[N@H+](CC(=O)NCC#N)C3)c2c1 ZINC001266325137 835702526 /nfs/dbraw/zinc/70/25/26/835702526.db2.gz KLLAHAQQVXLHAX-ZDUSSCGKSA-N 1 2 340.387 0.087 20 30 ECEDLO Cc1ccn2ncc(C(=O)N[C@H]3CC[N@@H+](CC(=O)NCC#N)C3)c2c1 ZINC001266325137 835702527 /nfs/dbraw/zinc/70/25/27/835702527.db2.gz KLLAHAQQVXLHAX-ZDUSSCGKSA-N 1 2 340.387 0.087 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC001266338665 835723400 /nfs/dbraw/zinc/72/34/00/835723400.db2.gz AJBJOTVEIYJISF-QGZVFWFLSA-N 1 2 327.428 0.786 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC001266338665 835723409 /nfs/dbraw/zinc/72/34/09/835723409.db2.gz AJBJOTVEIYJISF-QGZVFWFLSA-N 1 2 327.428 0.786 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ncn(C(C)(C)C)n2)C1 ZINC001266341294 835726977 /nfs/dbraw/zinc/72/69/77/835726977.db2.gz DUCANJLXIGPECS-GFCCVEGCSA-N 1 2 334.424 0.139 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ncn(C(C)(C)C)n2)C1 ZINC001266341294 835726980 /nfs/dbraw/zinc/72/69/80/835726980.db2.gz DUCANJLXIGPECS-GFCCVEGCSA-N 1 2 334.424 0.139 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccn(C(C)C)n2)C1 ZINC001266344345 835732842 /nfs/dbraw/zinc/73/28/42/835732842.db2.gz HBEFHHWMXAHMHK-KBPBESRZSA-N 1 2 333.436 0.959 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2ccn(C(C)C)n2)C1 ZINC001266344345 835732855 /nfs/dbraw/zinc/73/28/55/835732855.db2.gz HBEFHHWMXAHMHK-KBPBESRZSA-N 1 2 333.436 0.959 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccccc2Cl)C1 ZINC001266355370 835759097 /nfs/dbraw/zinc/75/90/97/835759097.db2.gz GXKLUBQPJJOFEN-ZDUSSCGKSA-N 1 2 334.807 0.713 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2Cl)C1 ZINC001266355370 835759100 /nfs/dbraw/zinc/75/91/00/835759100.db2.gz GXKLUBQPJJOFEN-ZDUSSCGKSA-N 1 2 334.807 0.713 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC001266356065 835760731 /nfs/dbraw/zinc/76/07/31/835760731.db2.gz PQOKYRVAGONLAB-GFCCVEGCSA-N 1 2 325.372 0.116 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC001266356065 835760739 /nfs/dbraw/zinc/76/07/39/835760739.db2.gz PQOKYRVAGONLAB-GFCCVEGCSA-N 1 2 325.372 0.116 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001266360812 835769301 /nfs/dbraw/zinc/76/93/01/835769301.db2.gz CRHJUQXZNKKNEF-KRWDZBQOSA-N 1 2 339.439 0.967 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001266360812 835769313 /nfs/dbraw/zinc/76/93/13/835769313.db2.gz CRHJUQXZNKKNEF-KRWDZBQOSA-N 1 2 339.439 0.967 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccnc1OCC ZINC001266491743 835892164 /nfs/dbraw/zinc/89/21/64/835892164.db2.gz AVBBQAKZLBRKRB-CQSZACIVSA-N 1 2 346.431 0.977 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccnc1OCC ZINC001266491743 835892170 /nfs/dbraw/zinc/89/21/70/835892170.db2.gz AVBBQAKZLBRKRB-CQSZACIVSA-N 1 2 346.431 0.977 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@H]1CC[N@@H+](Cc2ncnn2CCC)C1 ZINC001266512082 835920771 /nfs/dbraw/zinc/92/07/71/835920771.db2.gz XLEBTGKLQGTMCD-PBHICJAKSA-N 1 2 335.452 0.953 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@H]1CC[N@H+](Cc2ncnn2CCC)C1 ZINC001266512082 835920775 /nfs/dbraw/zinc/92/07/75/835920775.db2.gz XLEBTGKLQGTMCD-PBHICJAKSA-N 1 2 335.452 0.953 20 30 ECEDLO C=CCC[N@H+](CCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2)C1CC1 ZINC001266615546 836050489 /nfs/dbraw/zinc/05/04/89/836050489.db2.gz LUOPKSQSQXKONL-UHFFFAOYSA-N 1 2 330.392 0.228 20 30 ECEDLO C=CCC[N@@H+](CCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2)C1CC1 ZINC001266615546 836050501 /nfs/dbraw/zinc/05/05/01/836050501.db2.gz LUOPKSQSQXKONL-UHFFFAOYSA-N 1 2 330.392 0.228 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)[C@H]1CCC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC001266890023 836438770 /nfs/dbraw/zinc/43/87/70/836438770.db2.gz IBPCFOCOMTVKJM-ZFWWWQNUSA-N 1 2 333.436 0.870 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC001266890023 836438776 /nfs/dbraw/zinc/43/87/76/836438776.db2.gz IBPCFOCOMTVKJM-ZFWWWQNUSA-N 1 2 333.436 0.870 20 30 ECEDLO C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001267087532 836738036 /nfs/dbraw/zinc/73/80/36/836738036.db2.gz FNBQFAKUADGQKU-OLZOCXBDSA-N 1 2 342.403 0.112 20 30 ECEDLO Cc1cccc(CC(=O)NCC[N@@H+](C)CC(=O)NCC#N)c1Cl ZINC001267206721 836990496 /nfs/dbraw/zinc/99/04/96/836990496.db2.gz MMYWQOOUHUCXOW-UHFFFAOYSA-N 1 2 336.823 0.879 20 30 ECEDLO Cc1cccc(CC(=O)NCC[N@H+](C)CC(=O)NCC#N)c1Cl ZINC001267206721 836990501 /nfs/dbraw/zinc/99/05/01/836990501.db2.gz MMYWQOOUHUCXOW-UHFFFAOYSA-N 1 2 336.823 0.879 20 30 ECEDLO C=CC[NH2+][C@@H](C)C1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001267207736 836991684 /nfs/dbraw/zinc/99/16/84/836991684.db2.gz IGCLSBUDOWFLCD-LBPRGKRZSA-N 1 2 344.419 0.474 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001267270716 837110830 /nfs/dbraw/zinc/11/08/30/837110830.db2.gz VYGLEIIDQYBKBD-VXGBXAGGSA-N 1 2 328.363 0.642 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001267270716 837110840 /nfs/dbraw/zinc/11/08/40/837110840.db2.gz VYGLEIIDQYBKBD-VXGBXAGGSA-N 1 2 328.363 0.642 20 30 ECEDLO Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NCC#N)cc1F ZINC001267271370 837112567 /nfs/dbraw/zinc/11/25/67/837112567.db2.gz ULQUTYUHLBLXEZ-AWEZNQCLSA-N 1 2 332.379 0.968 20 30 ECEDLO Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NCC#N)cc1F ZINC001267271370 837112571 /nfs/dbraw/zinc/11/25/71/837112571.db2.gz ULQUTYUHLBLXEZ-AWEZNQCLSA-N 1 2 332.379 0.968 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C1CC2(C1)CCOCC2 ZINC001267279363 837125354 /nfs/dbraw/zinc/12/53/54/837125354.db2.gz CNZFTOKTYKMATD-HNNXBMFYSA-N 1 2 348.447 0.414 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C1CC2(C1)CCOCC2 ZINC001267279363 837125358 /nfs/dbraw/zinc/12/53/58/837125358.db2.gz CNZFTOKTYKMATD-HNNXBMFYSA-N 1 2 348.447 0.414 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)CC[NH+]1CCN(Cc2cnn(C)c2)CC1 ZINC001267607721 837951202 /nfs/dbraw/zinc/95/12/02/837951202.db2.gz SDBTYXHYWGEPEW-INIZCTEOSA-N 1 2 347.463 0.034 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)CCN1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001267607721 837951207 /nfs/dbraw/zinc/95/12/07/837951207.db2.gz SDBTYXHYWGEPEW-INIZCTEOSA-N 1 2 347.463 0.034 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CCN(C)C(=O)CC(C)=C(C)C)CC1 ZINC001267609016 837964622 /nfs/dbraw/zinc/96/46/22/837964622.db2.gz LSBHLRQQAAULOX-UHFFFAOYSA-N 1 2 348.491 0.558 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)C2(CCOC)CC2)C1 ZINC001267615578 837996890 /nfs/dbraw/zinc/99/68/90/837996890.db2.gz RJVODSWJMDCROB-LSDHHAIUSA-N 1 2 335.448 0.522 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C2(CCOC)CC2)C1 ZINC001267615578 837996900 /nfs/dbraw/zinc/99/69/00/837996900.db2.gz RJVODSWJMDCROB-LSDHHAIUSA-N 1 2 335.448 0.522 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cc(CC)nnc2C)C1 ZINC001267616370 838017698 /nfs/dbraw/zinc/01/76/98/838017698.db2.gz JKYOSFSCTFATPT-OAHLLOKOSA-N 1 2 343.431 0.291 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(CC)nnc2C)C1 ZINC001267616370 838017709 /nfs/dbraw/zinc/01/77/09/838017709.db2.gz JKYOSFSCTFATPT-OAHLLOKOSA-N 1 2 343.431 0.291 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001267617695 838041869 /nfs/dbraw/zinc/04/18/69/838041869.db2.gz RSLXAZFTIFMSDA-CQSZACIVSA-N 1 2 348.447 0.769 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001267617695 838041882 /nfs/dbraw/zinc/04/18/82/838041882.db2.gz RSLXAZFTIFMSDA-CQSZACIVSA-N 1 2 348.447 0.769 20 30 ECEDLO CCc1ccc(CC(=O)N[C@@H]2CCC[N@H+](CC(=O)NCC#N)C2)nc1 ZINC001267617850 838045186 /nfs/dbraw/zinc/04/51/86/838045186.db2.gz SZUQWRPCHLZGLU-MRXNPFEDSA-N 1 2 343.431 0.407 20 30 ECEDLO CCc1ccc(CC(=O)N[C@@H]2CCC[N@@H+](CC(=O)NCC#N)C2)nc1 ZINC001267617850 838045196 /nfs/dbraw/zinc/04/51/96/838045196.db2.gz SZUQWRPCHLZGLU-MRXNPFEDSA-N 1 2 343.431 0.407 20 30 ECEDLO COCCCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001267624279 838068355 /nfs/dbraw/zinc/06/83/55/838068355.db2.gz YDOWLJKFENALBQ-AWEZNQCLSA-N 1 2 347.419 0.233 20 30 ECEDLO COCCCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001267624279 838068364 /nfs/dbraw/zinc/06/83/64/838068364.db2.gz YDOWLJKFENALBQ-AWEZNQCLSA-N 1 2 347.419 0.233 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCc2cc(C)on2)C1 ZINC001267632395 838096069 /nfs/dbraw/zinc/09/60/69/838096069.db2.gz VJRDMKOYCOSDKV-HNNXBMFYSA-N 1 2 334.420 0.798 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCc2cc(C)on2)C1 ZINC001267632395 838096082 /nfs/dbraw/zinc/09/60/82/838096082.db2.gz VJRDMKOYCOSDKV-HNNXBMFYSA-N 1 2 334.420 0.798 20 30 ECEDLO Cc1ncsc1CCC(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001267633948 838102150 /nfs/dbraw/zinc/10/21/50/838102150.db2.gz WHAYBVUWPMWYNY-ZDUSSCGKSA-N 1 2 349.460 0.605 20 30 ECEDLO Cc1ncsc1CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001267633948 838102152 /nfs/dbraw/zinc/10/21/52/838102152.db2.gz WHAYBVUWPMWYNY-ZDUSSCGKSA-N 1 2 349.460 0.605 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2cc(N(C)C)ccn2)C1 ZINC001267635494 838104688 /nfs/dbraw/zinc/10/46/88/838104688.db2.gz FMFPRWMLMPBVDX-AWEZNQCLSA-N 1 2 343.431 0.091 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2cc(N(C)C)ccn2)C1 ZINC001267635494 838104690 /nfs/dbraw/zinc/10/46/90/838104690.db2.gz FMFPRWMLMPBVDX-AWEZNQCLSA-N 1 2 343.431 0.091 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)COCC2CCCC2)C1 ZINC001267683232 838243911 /nfs/dbraw/zinc/24/39/11/838243911.db2.gz QAKDLVYCVLQNSY-CQSZACIVSA-N 1 2 335.448 0.379 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2ocnc2C)C1 ZINC001267721303 838374519 /nfs/dbraw/zinc/37/45/19/838374519.db2.gz QPZGYKUYPBHNOU-RYUDHWBXSA-N 1 2 349.391 0.187 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2ocnc2C)C1 ZINC001267721303 838374529 /nfs/dbraw/zinc/37/45/29/838374529.db2.gz QPZGYKUYPBHNOU-RYUDHWBXSA-N 1 2 349.391 0.187 20 30 ECEDLO COCC#CC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(OC)cc2)C1 ZINC001267726517 838404580 /nfs/dbraw/zinc/40/45/80/838404580.db2.gz MAYLTQCCJYEPGM-HNNXBMFYSA-N 1 2 345.399 0.474 20 30 ECEDLO COCC#CC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(OC)cc2)C1 ZINC001267726517 838404584 /nfs/dbraw/zinc/40/45/84/838404584.db2.gz MAYLTQCCJYEPGM-HNNXBMFYSA-N 1 2 345.399 0.474 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cc[nH]c2)C1 ZINC001267742068 838443886 /nfs/dbraw/zinc/44/38/86/838443886.db2.gz YRXJTILORGHUMT-DGCLKSJQSA-N 1 2 333.392 0.219 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cc[nH]c2)C1 ZINC001267742068 838443889 /nfs/dbraw/zinc/44/38/89/838443889.db2.gz YRXJTILORGHUMT-DGCLKSJQSA-N 1 2 333.392 0.219 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001267746606 838453133 /nfs/dbraw/zinc/45/31/33/838453133.db2.gz MPDJMGDHAPXXFX-PBFPGSCMSA-N 1 2 334.420 0.379 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001267746606 838453136 /nfs/dbraw/zinc/45/31/36/838453136.db2.gz MPDJMGDHAPXXFX-PBFPGSCMSA-N 1 2 334.420 0.379 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]nc2-c2ccoc2)C1 ZINC001267746654 838453152 /nfs/dbraw/zinc/45/31/52/838453152.db2.gz OQANQNIUIWVJHJ-CYBMUJFWSA-N 1 2 341.371 0.223 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2-c2ccoc2)C1 ZINC001267746654 838453157 /nfs/dbraw/zinc/45/31/57/838453157.db2.gz OQANQNIUIWVJHJ-CYBMUJFWSA-N 1 2 341.371 0.223 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001267750269 838469572 /nfs/dbraw/zinc/46/95/72/838469572.db2.gz XQDMVOQXKMRVRL-ZBFHGGJFSA-N 1 2 333.436 0.582 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001267750269 838469579 /nfs/dbraw/zinc/46/95/79/838469579.db2.gz XQDMVOQXKMRVRL-ZBFHGGJFSA-N 1 2 333.436 0.582 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)noc3C)C2)nn1 ZINC001105153633 838690412 /nfs/dbraw/zinc/69/04/12/838690412.db2.gz WMCRXIXZLHNFTB-UHFFFAOYSA-N 1 2 328.376 0.693 20 30 ECEDLO CC(C)C#CC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](C)CS(C)(=O)=O)C1 ZINC001267931491 838812444 /nfs/dbraw/zinc/81/24/44/838812444.db2.gz UABUIKRNISLMQR-HUUCEWRRSA-N 1 2 328.478 0.907 20 30 ECEDLO CC(C)C#CC(=O)N[C@@H]1CCC[N@H+](C[C@@H](C)CS(C)(=O)=O)C1 ZINC001267931491 838812451 /nfs/dbraw/zinc/81/24/51/838812451.db2.gz UABUIKRNISLMQR-HUUCEWRRSA-N 1 2 328.478 0.907 20 30 ECEDLO C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)C2CCC(O)CC2)C1 ZINC001268020716 838994438 /nfs/dbraw/zinc/99/44/38/838994438.db2.gz JRUZWBZTLNWKAC-GPANFISMSA-N 1 2 326.437 0.557 20 30 ECEDLO C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)C2CCC(O)CC2)C1 ZINC001268020716 838994443 /nfs/dbraw/zinc/99/44/43/838994443.db2.gz JRUZWBZTLNWKAC-GPANFISMSA-N 1 2 326.437 0.557 20 30 ECEDLO C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)C2(C)CCOCC2)C1 ZINC001268025783 839024232 /nfs/dbraw/zinc/02/42/32/839024232.db2.gz KPCDZQKDOXKTDH-HNNXBMFYSA-N 1 2 326.437 0.823 20 30 ECEDLO C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)C2(C)CCOCC2)C1 ZINC001268025783 839024242 /nfs/dbraw/zinc/02/42/42/839024242.db2.gz KPCDZQKDOXKTDH-HNNXBMFYSA-N 1 2 326.437 0.823 20 30 ECEDLO CC[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2cccc(C#N)c2)CCO1 ZINC000427853801 210224039 /nfs/dbraw/zinc/22/40/39/210224039.db2.gz XXIHFUMGLAQOJG-HNNXBMFYSA-N 1 2 330.388 0.724 20 30 ECEDLO CC[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cccc(C#N)c2)CCO1 ZINC000427853801 210224041 /nfs/dbraw/zinc/22/40/41/210224041.db2.gz XXIHFUMGLAQOJG-HNNXBMFYSA-N 1 2 330.388 0.724 20 30 ECEDLO CC(C)(C(=O)N[C@@H](CO)C[NH+]1CCOCC1)c1cc(F)cc(C#N)c1 ZINC000425293730 210036564 /nfs/dbraw/zinc/03/65/64/210036564.db2.gz LIJPLFLESOLCSO-MRXNPFEDSA-N 1 2 349.406 0.784 20 30 ECEDLO C#Cc1ccc(CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000297586562 202134525 /nfs/dbraw/zinc/13/45/25/202134525.db2.gz MJPVCZZSNSWLSR-QGZVFWFLSA-N 1 2 331.416 0.502 20 30 ECEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cncc(C#N)n2)CC1 ZINC000420578684 209392737 /nfs/dbraw/zinc/39/27/37/209392737.db2.gz BEQXXKAJGBQHLE-ZDUSSCGKSA-N 1 2 328.420 0.918 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CSC(C)(C)C)CC1 ZINC000264942323 201214415 /nfs/dbraw/zinc/21/44/15/201214415.db2.gz WGAQBQWBLKWNPN-UHFFFAOYSA-N 1 2 325.478 0.802 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CSC(C)(C)C)CC1 ZINC000264942323 201214417 /nfs/dbraw/zinc/21/44/17/201214417.db2.gz WGAQBQWBLKWNPN-UHFFFAOYSA-N 1 2 325.478 0.802 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000270761932 201241562 /nfs/dbraw/zinc/24/15/62/201241562.db2.gz YENMWOQRGQSXRX-UONOGXRCSA-N 1 2 339.436 0.411 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+](C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000270761932 201241563 /nfs/dbraw/zinc/24/15/63/201241563.db2.gz YENMWOQRGQSXRX-UONOGXRCSA-N 1 2 339.436 0.411 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+](CC)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000270677582 201240415 /nfs/dbraw/zinc/24/04/15/201240415.db2.gz BWBMZXRXEWMWHX-ZDUSSCGKSA-N 1 2 345.399 0.856 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+](CC)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000270677582 201240418 /nfs/dbraw/zinc/24/04/18/201240418.db2.gz BWBMZXRXEWMWHX-ZDUSSCGKSA-N 1 2 345.399 0.856 20 30 ECEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000276485396 201295002 /nfs/dbraw/zinc/29/50/02/201295002.db2.gz TXGUELGAAWLMEO-INIZCTEOSA-N 1 2 335.429 0.825 20 30 ECEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000276485396 201295006 /nfs/dbraw/zinc/29/50/06/201295006.db2.gz TXGUELGAAWLMEO-INIZCTEOSA-N 1 2 335.429 0.825 20 30 ECEDLO C#CCn1ccc(CN(CC)C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)n1 ZINC000279460693 201318405 /nfs/dbraw/zinc/31/84/05/201318405.db2.gz LFEIWJAZWVXQEP-INIZCTEOSA-N 1 2 346.479 0.684 20 30 ECEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2ccnc(C#N)c2)CC1 ZINC000193496624 240187514 /nfs/dbraw/zinc/18/75/14/240187514.db2.gz RAOIYKPCPOTMKL-AWEZNQCLSA-N 1 2 341.415 0.722 20 30 ECEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCn1cc[nH+]c1 ZINC000133433894 205367515 /nfs/dbraw/zinc/36/75/15/205367515.db2.gz LHIUVXCYYSKCOE-LBPRGKRZSA-N 1 2 347.400 0.238 20 30 ECEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000444741440 211093851 /nfs/dbraw/zinc/09/38/51/211093851.db2.gz YMHHEACGNYNMFT-HOCLYGCPSA-N 1 2 331.372 0.885 20 30 ECEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000444741440 211093854 /nfs/dbraw/zinc/09/38/54/211093854.db2.gz YMHHEACGNYNMFT-HOCLYGCPSA-N 1 2 331.372 0.885 20 30 ECEDLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000444741438 211093929 /nfs/dbraw/zinc/09/39/29/211093929.db2.gz YMHHEACGNYNMFT-GDBMZVCRSA-N 1 2 331.372 0.885 20 30 ECEDLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000444741438 211093932 /nfs/dbraw/zinc/09/39/32/211093932.db2.gz YMHHEACGNYNMFT-GDBMZVCRSA-N 1 2 331.372 0.885 20 30 ECEDLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000177131406 207295629 /nfs/dbraw/zinc/29/56/29/207295629.db2.gz OEGOSBMLXQQCTQ-UHFFFAOYSA-N 1 2 334.351 0.426 20 30 ECEDLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000177203593 207306189 /nfs/dbraw/zinc/30/61/89/207306189.db2.gz FTJKMSXUMSHTOK-UHFFFAOYSA-N 1 2 348.378 0.817 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000377862174 285001025 /nfs/dbraw/zinc/00/10/25/285001025.db2.gz VTZCOFGMYUVJBL-RRFJBIMHSA-N 1 2 344.481 0.508 20 30 ECEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C)c(C#N)cn2)C1 ZINC000412356168 208228340 /nfs/dbraw/zinc/22/83/40/208228340.db2.gz MEFRKJFQTHPUKP-ZDUSSCGKSA-N 1 2 330.388 0.877 20 30 ECEDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(C)c(C#N)cn2)C1 ZINC000412356168 208228346 /nfs/dbraw/zinc/22/83/46/208228346.db2.gz MEFRKJFQTHPUKP-ZDUSSCGKSA-N 1 2 330.388 0.877 20 30 ECEDLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC1 ZINC000267523762 254523909 /nfs/dbraw/zinc/52/39/09/254523909.db2.gz JUYFYGZXFDGCLF-UHFFFAOYSA-N 1 2 346.387 0.318 20 30 ECEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@H]1CCO[C@H]1C1CC1 ZINC000328823494 254592849 /nfs/dbraw/zinc/59/28/49/254592849.db2.gz GTBXOUIVRKBPNM-HOTGVXAUSA-N 1 2 349.435 0.918 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H](CNC(N)=O)C1 ZINC000330461239 254637429 /nfs/dbraw/zinc/63/74/29/254637429.db2.gz LOXQZLBAQAQBSZ-OLZOCXBDSA-N 1 2 327.429 0.415 20 30 ECEDLO COC[C@@H](C)NC(=O)NC(=O)C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000330534035 254638906 /nfs/dbraw/zinc/63/89/06/254638906.db2.gz UNAFNFVYUBNWLG-SECBINFHSA-N 1 2 341.330 0.441 20 30 ECEDLO C=CCN(CCOC)C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000359273487 254731842 /nfs/dbraw/zinc/73/18/42/254731842.db2.gz OTKDOBAGBDFQQZ-CQSZACIVSA-N 1 2 349.435 0.755 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@@H](C)C(=O)NCc2ccccc2)CC1 ZINC000491266641 254906386 /nfs/dbraw/zinc/90/63/86/254906386.db2.gz QARPIGXQKXREJK-INIZCTEOSA-N 1 2 342.443 0.058 20 30 ECEDLO C[C@@H]1OC(=O)N[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000496757901 255127516 /nfs/dbraw/zinc/12/75/16/255127516.db2.gz MEGLZXZZWFXRHC-WFASDCNBSA-N 1 2 328.372 0.699 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000496479657 255103391 /nfs/dbraw/zinc/10/33/91/255103391.db2.gz IGQGDWGBFQRASY-UONOGXRCSA-N 1 2 339.436 0.692 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000496479657 255103393 /nfs/dbraw/zinc/10/33/93/255103393.db2.gz IGQGDWGBFQRASY-UONOGXRCSA-N 1 2 339.436 0.692 20 30 ECEDLO CC(C)NC(=O)C[NH+]1CCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000072606077 296612841 /nfs/dbraw/zinc/61/28/41/296612841.db2.gz DYUQBYNGKUYNNO-UHFFFAOYSA-N 1 2 343.431 0.639 20 30 ECEDLO C[C@H]1CN(CC[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)CCO1 ZINC000253355720 165208851 /nfs/dbraw/zinc/20/88/51/165208851.db2.gz GLVCRWIOSHUGDW-GJZGRUSLSA-N 1 2 330.436 0.579 20 30 ECEDLO C[C@H]1CN(CC[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)CCO1 ZINC000253355720 165208853 /nfs/dbraw/zinc/20/88/53/165208853.db2.gz GLVCRWIOSHUGDW-GJZGRUSLSA-N 1 2 330.436 0.579 20 30 ECEDLO C#CCN1CCN(C(=O)Cn2c3ccccc3[nH+]c2NCCO)CC1 ZINC000490779335 421164798 /nfs/dbraw/zinc/16/47/98/421164798.db2.gz VDSHXVRMWOFMKQ-UHFFFAOYSA-N 1 2 341.415 0.218 20 30 ECEDLO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(C)c2)CC1 ZINC000278080828 263814464 /nfs/dbraw/zinc/81/44/64/263814464.db2.gz UUMPOKNZHSUZPZ-OAHLLOKOSA-N 1 2 337.445 0.944 20 30 ECEDLO CC(C)(C(=O)N1CCN(c2cc(C#N)ccn2)CC1)[NH+]1CCOCC1 ZINC000282879753 264067559 /nfs/dbraw/zinc/06/75/59/264067559.db2.gz SBXCXVDGFOQODH-UHFFFAOYSA-N 1 2 343.431 0.713 20 30 ECEDLO COC(=O)CNC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285492833 264317839 /nfs/dbraw/zinc/31/78/39/264317839.db2.gz MNXFEZHZSYPMQF-UHFFFAOYSA-N 1 2 349.362 0.830 20 30 ECEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000354059475 270006825 /nfs/dbraw/zinc/00/68/25/270006825.db2.gz SPQJJRIJTNTOME-ZDUSSCGKSA-N 1 2 333.417 0.720 20 30 ECEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000354059475 270006826 /nfs/dbraw/zinc/00/68/26/270006826.db2.gz SPQJJRIJTNTOME-ZDUSSCGKSA-N 1 2 333.417 0.720 20 30 ECEDLO CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000366441964 266057161 /nfs/dbraw/zinc/05/71/61/266057161.db2.gz PNARCAQCXODETQ-ZDUSSCGKSA-N 1 2 331.376 0.642 20 30 ECEDLO CCCNC(=O)NC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000366441964 266057165 /nfs/dbraw/zinc/05/71/65/266057165.db2.gz PNARCAQCXODETQ-ZDUSSCGKSA-N 1 2 331.376 0.642 20 30 ECEDLO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000360751652 267188716 /nfs/dbraw/zinc/18/87/16/267188716.db2.gz BQFAGMACVRIATN-NSHDSACASA-N 1 2 347.400 0.607 20 30 ECEDLO C[C@H]1CN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC[N@@H+]1CCO ZINC000336983108 267228025 /nfs/dbraw/zinc/22/80/25/267228025.db2.gz BRFHIOGXKKHKAB-AWEZNQCLSA-N 1 2 339.399 0.883 20 30 ECEDLO C[C@H]1CN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC[N@H+]1CCO ZINC000336983108 267228027 /nfs/dbraw/zinc/22/80/27/267228027.db2.gz BRFHIOGXKKHKAB-AWEZNQCLSA-N 1 2 339.399 0.883 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cc(C#N)ccn1 ZINC000529754933 267332155 /nfs/dbraw/zinc/33/21/55/267332155.db2.gz YHZBJVFTWZBLBO-QGZVFWFLSA-N 1 2 330.388 0.299 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cc(C#N)ccn1 ZINC000529754933 267332156 /nfs/dbraw/zinc/33/21/56/267332156.db2.gz YHZBJVFTWZBLBO-QGZVFWFLSA-N 1 2 330.388 0.299 20 30 ECEDLO N#Cc1ccc(C(=O)NCC(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)cc1 ZINC000374383394 268031472 /nfs/dbraw/zinc/03/14/72/268031472.db2.gz DYWPGUBGDWYPJE-QGZVFWFLSA-N 1 2 349.394 0.856 20 30 ECEDLO N#Cc1ccc(CNC(=O)CN2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000358449223 268068718 /nfs/dbraw/zinc/06/87/18/268068718.db2.gz RCBLNLOINDJOIU-UHFFFAOYSA-N 1 2 338.415 0.715 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)s1 ZINC000373826546 268193731 /nfs/dbraw/zinc/19/37/31/268193731.db2.gz XYFQVXRXRBDJII-STQMWFEESA-N 1 2 341.458 0.839 20 30 ECEDLO N#Cc1ccc(CC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)cn1 ZINC000527698449 268216346 /nfs/dbraw/zinc/21/63/46/268216346.db2.gz ZRBKNWCYGKCFGL-UHFFFAOYSA-N 1 2 341.415 0.262 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2nccc(C)c2C#N)CC1 ZINC000343507574 437595536 /nfs/dbraw/zinc/59/55/36/437595536.db2.gz HFADXRUTISLYDT-OAHLLOKOSA-N 1 2 345.447 0.925 20 30 ECEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1 ZINC000450233420 278204653 /nfs/dbraw/zinc/20/46/53/278204653.db2.gz OKMNSCKQFOEXNL-NSHDSACASA-N 1 2 344.375 0.651 20 30 ECEDLO CCN1CCN(C(=O)NCCCC(=O)N(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000331017518 279336634 /nfs/dbraw/zinc/33/66/34/279336634.db2.gz HUSQSHRMMWHUMM-ZDUSSCGKSA-N 1 2 336.440 0.871 20 30 ECEDLO O=C(CN1CCN(Cc2[nH]cc[nH+]2)CC1)NC(=O)NCC(F)(F)F ZINC000330759317 437607602 /nfs/dbraw/zinc/60/76/02/437607602.db2.gz FXVGTKQZGUSQCZ-UHFFFAOYSA-N 1 2 348.329 0.120 20 30 ECEDLO COCC1(O)CC[NH+](CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000340234881 437613415 /nfs/dbraw/zinc/61/34/15/437613415.db2.gz FOFDSEQRQDEFCQ-UHFFFAOYSA-N 1 2 338.429 0.805 20 30 ECEDLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC[N@@H+]1CCO ZINC000190028939 437615604 /nfs/dbraw/zinc/61/56/04/437615604.db2.gz YSIVXRCHHGDJJS-LLVKDONJSA-N 1 2 334.351 0.161 20 30 ECEDLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC[N@H+]1CCO ZINC000190028939 437615609 /nfs/dbraw/zinc/61/56/09/437615609.db2.gz YSIVXRCHHGDJJS-LLVKDONJSA-N 1 2 334.351 0.161 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000416658170 297007338 /nfs/dbraw/zinc/00/73/38/297007338.db2.gz FSOVVYMAQNGQBO-NWDGAFQWSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000416658170 297007339 /nfs/dbraw/zinc/00/73/39/297007339.db2.gz FSOVVYMAQNGQBO-NWDGAFQWSA-N 1 2 341.408 0.773 20 30 ECEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000329171930 295385060 /nfs/dbraw/zinc/38/50/60/295385060.db2.gz KHIXZOSXZUVXNR-BARDWOONSA-N 1 2 334.420 0.974 20 30 ECEDLO CN(C)C(=O)CN1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000072621832 436049552 /nfs/dbraw/zinc/04/95/52/436049552.db2.gz WWTIGXZXETXDCN-MRXNPFEDSA-N 1 2 346.431 0.004 20 30 ECEDLO COCCCNC(=O)C[N@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000072981307 436064340 /nfs/dbraw/zinc/06/43/40/436064340.db2.gz IWOKKPDARNCGHC-BBRMVZONSA-N 1 2 326.441 0.514 20 30 ECEDLO COCCCNC(=O)C[N@@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000072981307 436064343 /nfs/dbraw/zinc/06/43/43/436064343.db2.gz IWOKKPDARNCGHC-BBRMVZONSA-N 1 2 326.441 0.514 20 30 ECEDLO C#CCCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000073085801 436067872 /nfs/dbraw/zinc/06/78/72/436067872.db2.gz WPGQDTISTYSMHP-UHFFFAOYSA-N 1 2 328.416 0.512 20 30 ECEDLO CCCNC(=O)NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023258221 436125326 /nfs/dbraw/zinc/12/53/26/436125326.db2.gz GZMGXFLVKLDJHO-UHFFFAOYSA-N 1 2 343.431 0.912 20 30 ECEDLO C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000022823768 436122105 /nfs/dbraw/zinc/12/21/05/436122105.db2.gz YFSLYSOIUHIGBD-AWEZNQCLSA-N 1 2 343.431 0.591 20 30 ECEDLO N#Cc1c(F)cccc1N1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000029856113 436210749 /nfs/dbraw/zinc/21/07/49/436210749.db2.gz YLMJWDHWNXOPKF-UHFFFAOYSA-N 1 2 332.379 0.678 20 30 ECEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)N(C)C ZINC000046970517 436406790 /nfs/dbraw/zinc/40/67/90/436406790.db2.gz QIWXTRDJDFDVRF-AWEZNQCLSA-N 1 2 343.431 0.862 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)OCC)C1 ZINC000047796557 436431550 /nfs/dbraw/zinc/43/15/50/436431550.db2.gz XPRCFMNDKJRTBC-RYUDHWBXSA-N 1 2 326.397 0.597 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)OCC)C1 ZINC000047796557 436431553 /nfs/dbraw/zinc/43/15/53/436431553.db2.gz XPRCFMNDKJRTBC-RYUDHWBXSA-N 1 2 326.397 0.597 20 30 ECEDLO COCCN1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)CC1=O ZINC000091828942 436460015 /nfs/dbraw/zinc/46/00/15/436460015.db2.gz QLCVJGAHYNTPBW-UHFFFAOYSA-N 1 2 330.388 0.677 20 30 ECEDLO COCCN1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC1=O ZINC000091828942 436460018 /nfs/dbraw/zinc/46/00/18/436460018.db2.gz QLCVJGAHYNTPBW-UHFFFAOYSA-N 1 2 330.388 0.677 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000101562618 436549059 /nfs/dbraw/zinc/54/90/59/436549059.db2.gz LXFUGDNINBUNLW-INIZCTEOSA-N 1 2 327.428 0.820 20 30 ECEDLO Cc1noc([C@@H](C)N2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)n1 ZINC000105864258 436582223 /nfs/dbraw/zinc/58/22/23/436582223.db2.gz PAQODXRUOJOZQF-CHWSQXEVSA-N 1 2 334.424 0.817 20 30 ECEDLO CC(C)C[C@@H](CNS(=O)(=O)N(C)CCC#N)[NH+]1CCOCC1 ZINC000105938557 436588154 /nfs/dbraw/zinc/58/81/54/436588154.db2.gz FFWFDBJNIQOTJV-AWEZNQCLSA-N 1 2 332.470 0.413 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000056316123 436590935 /nfs/dbraw/zinc/59/09/35/436590935.db2.gz BNDHEVQNFDIXPT-GFCCVEGCSA-N 1 2 340.424 0.987 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000056316123 436590939 /nfs/dbraw/zinc/59/09/39/436590939.db2.gz BNDHEVQNFDIXPT-GFCCVEGCSA-N 1 2 340.424 0.987 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1COc2ccccc2O1 ZINC000060634101 436634239 /nfs/dbraw/zinc/63/42/39/436634239.db2.gz OEZOIWYCWXQDCV-KRWDZBQOSA-N 1 2 345.399 0.901 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116889334 436654742 /nfs/dbraw/zinc/65/47/42/436654742.db2.gz LHAARGQUKNZEQT-DYEKYZERSA-N 1 2 330.454 0.053 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116889334 436654744 /nfs/dbraw/zinc/65/47/44/436654744.db2.gz LHAARGQUKNZEQT-DYEKYZERSA-N 1 2 330.454 0.053 20 30 ECEDLO COCCNC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2OC)CC1 ZINC000120460443 436687596 /nfs/dbraw/zinc/68/75/96/436687596.db2.gz OZPLBWUVVZLKSU-UHFFFAOYSA-N 1 2 346.431 0.447 20 30 ECEDLO COc1cc(C#N)ccc1CN1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000120494053 436689755 /nfs/dbraw/zinc/68/97/55/436689755.db2.gz HWMROSHWSZIWTH-UHFFFAOYSA-N 1 2 328.416 0.963 20 30 ECEDLO COc1cc(C#N)ccc1C[NH+]1CCN(CC(=O)NC2CC2)CC1 ZINC000120494053 436689759 /nfs/dbraw/zinc/68/97/59/436689759.db2.gz HWMROSHWSZIWTH-UHFFFAOYSA-N 1 2 328.416 0.963 20 30 ECEDLO C#CCNC(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000066687230 436693355 /nfs/dbraw/zinc/69/33/55/436693355.db2.gz UBRKXEPHHMPGAX-UHFFFAOYSA-N 1 2 332.379 0.516 20 30 ECEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CC(=O)N2CCCC2)c1=O ZINC000558586144 302474635 /nfs/dbraw/zinc/47/46/35/302474635.db2.gz CFPYCMHTKVRHFV-UHFFFAOYSA-N 1 2 330.388 0.175 20 30 ECEDLO COc1ccc(OC)c(C[NH+]2CCN(CC(=O)NCC#N)CC2)c1 ZINC000066472621 436686133 /nfs/dbraw/zinc/68/61/33/436686133.db2.gz ZAFAVHHDLOVVOP-UHFFFAOYSA-N 1 2 332.404 0.461 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)N2CCSC[C@H]2S(C)(=O)=O)CC1 ZINC000121818215 436726038 /nfs/dbraw/zinc/72/60/38/436726038.db2.gz CWGIDQMEOKCFTI-CYBMUJFWSA-N 1 2 330.475 0.278 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2cnc(C#N)cn2)CC1 ZINC000123775005 436742369 /nfs/dbraw/zinc/74/23/69/436742369.db2.gz FIBQCYWOMOQGHE-CYBMUJFWSA-N 1 2 332.408 0.011 20 30 ECEDLO C=C(C)CNC(=O)N1CC[NH+]([C@@H](C)C(=O)NCCCOC)CC1 ZINC000156843013 436820359 /nfs/dbraw/zinc/82/03/59/436820359.db2.gz JKLDDRJEKQIUDW-AWEZNQCLSA-N 1 2 326.441 0.431 20 30 ECEDLO C#CCOc1ccc(C(=O)N2CCC[N@@H+](CC(=O)NCC)CC2)cc1 ZINC000160273743 436870829 /nfs/dbraw/zinc/87/08/29/436870829.db2.gz MRAZAXODUNGWCF-UHFFFAOYSA-N 1 2 343.427 0.983 20 30 ECEDLO C#CCOc1ccc(C(=O)N2CCC[N@H+](CC(=O)NCC)CC2)cc1 ZINC000160273743 436870834 /nfs/dbraw/zinc/87/08/34/436870834.db2.gz MRAZAXODUNGWCF-UHFFFAOYSA-N 1 2 343.427 0.983 20 30 ECEDLO N#Cc1cccc(CNC(=O)N(CCO)CC[NH+]2CCOCC2)c1 ZINC000163294706 436922420 /nfs/dbraw/zinc/92/24/20/436922420.db2.gz GUIMGMIPSIUCRR-UHFFFAOYSA-N 1 2 332.404 0.394 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000134314183 436893941 /nfs/dbraw/zinc/89/39/41/436893941.db2.gz YOQIOAAPJMDLHK-KGLIPLIRSA-N 1 2 344.481 0.397 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000134314183 436893944 /nfs/dbraw/zinc/89/39/44/436893944.db2.gz YOQIOAAPJMDLHK-KGLIPLIRSA-N 1 2 344.481 0.397 20 30 ECEDLO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)O[NH+]=C(N)CCO)c1 ZINC000275531860 436980615 /nfs/dbraw/zinc/98/06/15/436980615.db2.gz QNKPXIWEIQDDEJ-WDEREUQCSA-N 1 2 339.392 0.941 20 30 ECEDLO COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)O[NH+]=C(N)CCO)c1 ZINC000275531855 436981046 /nfs/dbraw/zinc/98/10/46/436981046.db2.gz QNKPXIWEIQDDEJ-MNOVXSKESA-N 1 2 339.392 0.941 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000283116006 437025506 /nfs/dbraw/zinc/02/55/06/437025506.db2.gz YNSYWOHIFKWYGG-CQSZACIVSA-N 1 2 337.449 0.678 20 30 ECEDLO N#CCOc1ccc(/C=C/C(=O)NC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000298331064 437035748 /nfs/dbraw/zinc/03/57/48/437035748.db2.gz NBAUUSKNQOBPFY-WUTVXBCWSA-N 1 2 345.399 0.411 20 30 ECEDLO C=CCN1CC[C@@H](N(C)c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1=O ZINC000281950555 437008094 /nfs/dbraw/zinc/00/80/94/437008094.db2.gz SDXPXBLNUIXFAC-HUUCEWRRSA-N 1 2 345.447 0.908 20 30 ECEDLO C=CCN1CC[C@@H](N(C)c2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)C1=O ZINC000281950555 437008098 /nfs/dbraw/zinc/00/80/98/437008098.db2.gz SDXPXBLNUIXFAC-HUUCEWRRSA-N 1 2 345.447 0.908 20 30 ECEDLO C=CCCOCCNC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000284286491 437054021 /nfs/dbraw/zinc/05/40/21/437054021.db2.gz INOSZUQEFNKJCR-UHFFFAOYSA-N 1 2 330.388 0.702 20 30 ECEDLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000262059241 303009856 /nfs/dbraw/zinc/00/98/56/303009856.db2.gz QZQVZQLVTGBWCF-CQSZACIVSA-N 1 2 331.401 0.627 20 30 ECEDLO Cn1cc(N2CC[NH+](CC(=O)NC3(C#N)CCCCC3)CC2)cn1 ZINC000174915967 437089287 /nfs/dbraw/zinc/08/92/87/437089287.db2.gz RJDHMTBNBPIYTO-UHFFFAOYSA-N 1 2 330.436 0.885 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2c(ncn(CC)c2=O)C1 ZINC000286076163 437086639 /nfs/dbraw/zinc/08/66/39/437086639.db2.gz JXFAAUPMOHXDHV-ZDUSSCGKSA-N 1 2 331.420 0.629 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2c(ncn(CC)c2=O)C1 ZINC000286076163 437086641 /nfs/dbraw/zinc/08/66/41/437086641.db2.gz JXFAAUPMOHXDHV-ZDUSSCGKSA-N 1 2 331.420 0.629 20 30 ECEDLO C=CCSCCNC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000286538858 437099595 /nfs/dbraw/zinc/09/95/95/437099595.db2.gz QNDNWSXGCGQVIR-OKILXGFUSA-N 1 2 343.493 0.589 20 30 ECEDLO C=CCSCCNC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000286538858 437099596 /nfs/dbraw/zinc/09/95/96/437099596.db2.gz QNDNWSXGCGQVIR-OKILXGFUSA-N 1 2 343.493 0.589 20 30 ECEDLO C=CCSCCNC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000286560894 437102648 /nfs/dbraw/zinc/10/26/48/437102648.db2.gz SGBBOZWNKULQHF-STQMWFEESA-N 1 2 329.466 0.247 20 30 ECEDLO C[NH+](C)C1(C#N)CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)CC1 ZINC000331807273 437162824 /nfs/dbraw/zinc/16/28/24/437162824.db2.gz RUXKFRXVGKEMTA-RBSFLKMASA-N 1 2 348.447 0.507 20 30 ECEDLO C#CCNc1nc(N(C)[C@@H]2CCOC2)nc(N(C)[C@@H]2CCOC2)[nH+]1 ZINC000286651395 437114605 /nfs/dbraw/zinc/11/46/05/437114605.db2.gz DRVXAYQSKHGXHI-CHWSQXEVSA-N 1 2 332.408 0.367 20 30 ECEDLO C#CCNc1nc(N(C)[C@@H]2CCOC2)[nH+]c(N(C)[C@@H]2CCOC2)n1 ZINC000286651395 437114610 /nfs/dbraw/zinc/11/46/10/437114610.db2.gz DRVXAYQSKHGXHI-CHWSQXEVSA-N 1 2 332.408 0.367 20 30 ECEDLO CC(C)(CNc1ccc(S(N)(=O)=O)cc1C#N)[NH+]1CCOCC1 ZINC000301169282 437114730 /nfs/dbraw/zinc/11/47/30/437114730.db2.gz FRNCCKXMXIQITL-UHFFFAOYSA-N 1 2 338.433 0.728 20 30 ECEDLO C[C@@H](Nc1ccc(S(N)(=O)=O)cc1C#N)[C@@H](C)[NH+]1CCOCC1 ZINC000301390174 437120056 /nfs/dbraw/zinc/12/00/56/437120056.db2.gz ACPJELQTKRRPGW-VXGBXAGGSA-N 1 2 338.433 0.727 20 30 ECEDLO CC[C@H]1CN(S(=O)(=O)c2cccnc2C#N)CC[N@@H+]1CCOC ZINC000277050752 437188911 /nfs/dbraw/zinc/18/89/11/437188911.db2.gz QEPLNRQVRXSSJG-ZDUSSCGKSA-N 1 2 338.433 0.685 20 30 ECEDLO CC[C@H]1CN(S(=O)(=O)c2cccnc2C#N)CC[N@H+]1CCOC ZINC000277050752 437188914 /nfs/dbraw/zinc/18/89/14/437188914.db2.gz QEPLNRQVRXSSJG-ZDUSSCGKSA-N 1 2 338.433 0.685 20 30 ECEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)c1 ZINC000177992009 437202609 /nfs/dbraw/zinc/20/26/09/437202609.db2.gz QSZFBYBCTHQFLW-UHFFFAOYSA-N 1 2 343.836 0.900 20 30 ECEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC[N@H+](CCO)CC2)c1 ZINC000177992009 437202613 /nfs/dbraw/zinc/20/26/13/437202613.db2.gz QSZFBYBCTHQFLW-UHFFFAOYSA-N 1 2 343.836 0.900 20 30 ECEDLO C=CCN(C(=O)C[N@@H+](C)[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 ZINC000328795763 437265373 /nfs/dbraw/zinc/26/53/73/437265373.db2.gz COHITLLRTOSIKS-STQMWFEESA-N 1 2 332.491 0.625 20 30 ECEDLO C=CCN(C(=O)C[N@H+](C)[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 ZINC000328795763 437265375 /nfs/dbraw/zinc/26/53/75/437265375.db2.gz COHITLLRTOSIKS-STQMWFEESA-N 1 2 332.491 0.625 20 30 ECEDLO Cc1cn(C[C@@H](O)C[NH+]2CCOCC2)c(=O)n1-c1ccc(C#N)cc1 ZINC000178816591 437231621 /nfs/dbraw/zinc/23/16/21/437231621.db2.gz YJOLHQCTHOTTFZ-KRWDZBQOSA-N 1 2 342.399 0.512 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCc2c(ncn(C)c2=O)C1 ZINC000332665857 437241058 /nfs/dbraw/zinc/24/10/58/437241058.db2.gz FUZRCIKPCHPDCU-YVEFUNNKSA-N 1 2 331.420 0.581 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCc2c(ncn(C)c2=O)C1 ZINC000332665857 437241062 /nfs/dbraw/zinc/24/10/62/437241062.db2.gz FUZRCIKPCHPDCU-YVEFUNNKSA-N 1 2 331.420 0.581 20 30 ECEDLO CCOC(=O)C1(O)CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000266896876 437261573 /nfs/dbraw/zinc/26/15/73/437261573.db2.gz FITFMWMKOHEDNV-UHFFFAOYSA-N 1 2 331.372 0.887 20 30 ECEDLO C[C@@H](CN1CCCC1=O)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000328767758 437261880 /nfs/dbraw/zinc/26/18/80/437261880.db2.gz HUYKQBSFAKFKSP-ZDUSSCGKSA-N 1 2 326.441 0.612 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000336913732 437309985 /nfs/dbraw/zinc/30/99/85/437309985.db2.gz LEJRNXAINAOALF-OAHLLOKOSA-N 1 2 346.497 0.803 20 30 ECEDLO O=C(C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1)NCc1ccc2c(c1)OCO2 ZINC000328861907 437275101 /nfs/dbraw/zinc/27/51/01/437275101.db2.gz AUHOEJFCFNAUHM-LLVKDONJSA-N 1 2 346.343 0.948 20 30 ECEDLO O=C(C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1)NCc1ccc2c(c1)OCO2 ZINC000328861907 437275103 /nfs/dbraw/zinc/27/51/03/437275103.db2.gz AUHOEJFCFNAUHM-LLVKDONJSA-N 1 2 346.343 0.948 20 30 ECEDLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(C)c2)CC1 ZINC000278056576 437276428 /nfs/dbraw/zinc/27/64/28/437276428.db2.gz RYEAEROREICIIC-HNNXBMFYSA-N 1 2 337.445 0.944 20 30 ECEDLO O=C(NCCn1cc[nH+]c1)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000328956888 437292672 /nfs/dbraw/zinc/29/26/72/437292672.db2.gz NTOSBOPYORHBBC-MRXNPFEDSA-N 1 2 335.408 0.246 20 30 ECEDLO O=C(N1CCCC1)[C@@]1(O)CCCN(C([O-])=[NH+]CCn2cc[nH+]c2)C1 ZINC000328956888 437292675 /nfs/dbraw/zinc/29/26/75/437292675.db2.gz NTOSBOPYORHBBC-MRXNPFEDSA-N 1 2 335.408 0.246 20 30 ECEDLO COc1ccc2c(c1)OC[C@H](NC(=O)N1C[C@@H]3OCC[N@H+](C)[C@H]3C1)C2 ZINC000329008199 437302120 /nfs/dbraw/zinc/30/21/20/437302120.db2.gz NQUPJRHSLXRCAY-KMFMINBZSA-N 1 2 347.415 0.928 20 30 ECEDLO COc1ccc2c(c1)OC[C@H](NC(=O)N1C[C@@H]3OCC[N@@H+](C)[C@H]3C1)C2 ZINC000329008199 437302123 /nfs/dbraw/zinc/30/21/23/437302123.db2.gz NQUPJRHSLXRCAY-KMFMINBZSA-N 1 2 347.415 0.928 20 30 ECEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)Cc1cnc(N(C)C)nc1 ZINC000329318467 437351219 /nfs/dbraw/zinc/35/12/19/437351219.db2.gz DJXMGBYVHBXPTJ-AWEZNQCLSA-N 1 2 349.483 0.524 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000279032525 437367120 /nfs/dbraw/zinc/36/71/20/437367120.db2.gz ASJJXBZCUZRHSO-AWEZNQCLSA-N 1 2 344.415 0.467 20 30 ECEDLO C=CCNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000182917610 437369626 /nfs/dbraw/zinc/36/96/26/437369626.db2.gz ILPODOKOCRTZDG-UHFFFAOYSA-N 1 2 344.415 0.591 20 30 ECEDLO CN1C(=O)N[C@@H]2CN(C(=O)NCC[N@@H+]3CCOCC3(C)C)CC[C@@H]21 ZINC000329137361 437324765 /nfs/dbraw/zinc/32/47/65/437324765.db2.gz RJNHVJBHWGQNHD-OLZOCXBDSA-N 1 2 339.440 0.314 20 30 ECEDLO CN1C(=O)N[C@@H]2CN(C(=O)NCC[N@H+]3CCOCC3(C)C)CC[C@@H]21 ZINC000329137361 437324767 /nfs/dbraw/zinc/32/47/67/437324767.db2.gz RJNHVJBHWGQNHD-OLZOCXBDSA-N 1 2 339.440 0.314 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Cc1ccc(OCC#N)cc1 ZINC000267694621 437328858 /nfs/dbraw/zinc/32/88/58/437328858.db2.gz OSBUIFPJKWVQPM-INIZCTEOSA-N 1 2 347.415 0.283 20 30 ECEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181691958 437329074 /nfs/dbraw/zinc/32/90/74/437329074.db2.gz ZLBPSIFLLAKQRV-OAHLLOKOSA-N 1 2 345.428 0.935 20 30 ECEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278640517 437330199 /nfs/dbraw/zinc/33/01/99/437330199.db2.gz GWRWMIXYZZPODQ-YUELXQCFSA-N 1 2 333.388 0.368 20 30 ECEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278640517 437330203 /nfs/dbraw/zinc/33/02/03/437330203.db2.gz GWRWMIXYZZPODQ-YUELXQCFSA-N 1 2 333.388 0.368 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](CCCOC)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000337147332 437336136 /nfs/dbraw/zinc/33/61/36/437336136.db2.gz GHAPNVXJKSCCBB-KGLIPLIRSA-N 1 2 330.450 0.299 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](CCCOC)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000337147332 437336138 /nfs/dbraw/zinc/33/61/38/437336138.db2.gz GHAPNVXJKSCCBB-KGLIPLIRSA-N 1 2 330.450 0.299 20 30 ECEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000278728658 437337760 /nfs/dbraw/zinc/33/77/60/437337760.db2.gz LTMKVFHEOLVFJC-UHFFFAOYSA-N 1 2 338.433 0.685 20 30 ECEDLO CN(CC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000278728658 437337764 /nfs/dbraw/zinc/33/77/64/437337764.db2.gz LTMKVFHEOLVFJC-UHFFFAOYSA-N 1 2 338.433 0.685 20 30 ECEDLO O=C(CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)N1CCOCC1 ZINC000329237097 437338607 /nfs/dbraw/zinc/33/86/07/437338607.db2.gz OUJNMXDZMYUZPZ-CQSZACIVSA-N 1 2 334.376 0.308 20 30 ECEDLO O=C([C@@H]1CCCO1)N1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329748665 437408631 /nfs/dbraw/zinc/40/86/31/437408631.db2.gz TVHBVLMYYWCHFD-DOMZBBRYSA-N 1 2 347.419 0.504 20 30 ECEDLO O=C([C@@H]1CCCO1)N1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329748665 437408635 /nfs/dbraw/zinc/40/86/35/437408635.db2.gz TVHBVLMYYWCHFD-DOMZBBRYSA-N 1 2 347.419 0.504 20 30 ECEDLO Cc1nsc(N2CC[NH+](CCN3C(=O)CNC3=O)CC2)c1C#N ZINC000329773088 437410659 /nfs/dbraw/zinc/41/06/59/437410659.db2.gz HWWFUVWZYKAYMJ-UHFFFAOYSA-N 1 2 334.405 0.201 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCn1cc[nH+]c1 ZINC000268403138 437410911 /nfs/dbraw/zinc/41/09/11/437410911.db2.gz SIRSSMYJHUUVMP-CYBMUJFWSA-N 1 2 325.376 0.672 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(COCC)n2CC)CC1 ZINC000338535121 437412763 /nfs/dbraw/zinc/41/27/63/437412763.db2.gz NDRKYYCCRUPELT-UHFFFAOYSA-N 1 2 336.440 0.259 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC000184829039 437412973 /nfs/dbraw/zinc/41/29/73/437412973.db2.gz DOCIYUKRQNZESD-LLVKDONJSA-N 1 2 329.364 0.325 20 30 ECEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCN2CCOC[C@H]2C1 ZINC000329803348 437414935 /nfs/dbraw/zinc/41/49/35/437414935.db2.gz ZPDGEWAUNJCDFV-OAHLLOKOSA-N 1 2 333.436 0.692 20 30 ECEDLO O=S1(=O)CCCC[C@@H]1C[NH+]=C([O-])NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329916559 437431841 /nfs/dbraw/zinc/43/18/41/437431841.db2.gz YWZFYQCYQVYAND-QWHCGFSZSA-N 1 2 340.449 0.916 20 30 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/nfs/dbraw/zinc/98/07/84/437980784.db2.gz SBWSXCGKGGSRNP-UHFFFAOYSA-N 1 2 342.403 0.976 20 30 ECEDLO Cn1ccnc1C[NH+]1CCC(C(=O)N2CCN(C)[C@H](C#N)C2)CC1 ZINC000372146742 438040895 /nfs/dbraw/zinc/04/08/95/438040895.db2.gz ONTQEWOEBRASKH-OAHLLOKOSA-N 1 2 330.436 0.298 20 30 ECEDLO C=CC[N@@H+](CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O)C1CC1 ZINC000357529328 438005653 /nfs/dbraw/zinc/00/56/53/438005653.db2.gz NNGHEEMAYLHGIK-UHFFFAOYSA-N 1 2 334.420 0.618 20 30 ECEDLO C=CC[N@H+](CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O)C1CC1 ZINC000357529328 438005658 /nfs/dbraw/zinc/00/56/58/438005658.db2.gz NNGHEEMAYLHGIK-UHFFFAOYSA-N 1 2 334.420 0.618 20 30 ECEDLO C=CCC[N@@H+](C)CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000342729616 438054674 /nfs/dbraw/zinc/05/46/74/438054674.db2.gz XFCUFUGQOMOISI-LSDHHAIUSA-N 1 2 344.477 0.689 20 30 ECEDLO C=CCC[N@H+](C)CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000342729616 438054678 /nfs/dbraw/zinc/05/46/78/438054678.db2.gz XFCUFUGQOMOISI-LSDHHAIUSA-N 1 2 344.477 0.689 20 30 ECEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366320888 438055238 /nfs/dbraw/zinc/05/52/38/438055238.db2.gz GCEALSMYGDRTIS-MCIONIFRSA-N 1 2 327.340 0.367 20 30 ECEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366320888 438055240 /nfs/dbraw/zinc/05/52/40/438055240.db2.gz GCEALSMYGDRTIS-MCIONIFRSA-N 1 2 327.340 0.367 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000366659677 438110661 /nfs/dbraw/zinc/11/06/61/438110661.db2.gz ZXJFQGZVQKKDNW-HOCLYGCPSA-N 1 2 338.452 0.431 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000366659677 438110665 /nfs/dbraw/zinc/11/06/65/438110665.db2.gz ZXJFQGZVQKKDNW-HOCLYGCPSA-N 1 2 338.452 0.431 20 30 ECEDLO CC(C)(C#N)CC(=O)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000373377768 438147054 /nfs/dbraw/zinc/14/70/54/438147054.db2.gz OVQKEYOVYFQRSZ-AWEZNQCLSA-N 1 2 336.436 0.366 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000367171600 438177427 /nfs/dbraw/zinc/17/74/27/438177427.db2.gz KIQDYUOXMPOJOY-MGPQQGTHSA-N 1 2 330.454 0.308 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000367171600 438177431 /nfs/dbraw/zinc/17/74/31/438177431.db2.gz KIQDYUOXMPOJOY-MGPQQGTHSA-N 1 2 330.454 0.308 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2c(C)noc2CC)CC1 ZINC000373463810 438152366 /nfs/dbraw/zinc/15/23/66/438152366.db2.gz AQDSRCAKFLXNLJ-UHFFFAOYSA-N 1 2 332.404 0.443 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c(C)noc2CC)CC1 ZINC000373463810 438152370 /nfs/dbraw/zinc/15/23/70/438152370.db2.gz AQDSRCAKFLXNLJ-UHFFFAOYSA-N 1 2 332.404 0.443 20 30 ECEDLO N#CC1(c2nc(CC(=O)NCC[NH+]3CCOCC3)no2)CCCCC1 ZINC000350686339 438227784 /nfs/dbraw/zinc/22/77/84/438227784.db2.gz RZZJAVFNOAMCCX-UHFFFAOYSA-N 1 2 347.419 0.786 20 30 ECEDLO CC(C)N(CCCNC(=O)C[N@H+](C)CC(C)(C)C#N)S(C)(=O)=O ZINC000433312167 438236901 /nfs/dbraw/zinc/23/69/01/438236901.db2.gz KVIZTEJARGJGPN-UHFFFAOYSA-N 1 2 346.497 0.644 20 30 ECEDLO CC(C)N(CCCNC(=O)C[N@@H+](C)CC(C)(C)C#N)S(C)(=O)=O ZINC000433312167 438236907 /nfs/dbraw/zinc/23/69/07/438236907.db2.gz KVIZTEJARGJGPN-UHFFFAOYSA-N 1 2 346.497 0.644 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000374446903 438210852 /nfs/dbraw/zinc/21/08/52/438210852.db2.gz OJZPMVQWBUUTQS-KBPBESRZSA-N 1 2 330.454 0.119 20 30 ECEDLO C[C@](C#N)(NC(=O)C[N@@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1)C1CC1 ZINC000375514680 438259351 /nfs/dbraw/zinc/25/93/51/438259351.db2.gz ZDJHCWDAXZXJDN-GIPNMCIBSA-N 1 2 332.326 0.390 20 30 ECEDLO C[C@](C#N)(NC(=O)C[N@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1)C1CC1 ZINC000375514680 438259353 /nfs/dbraw/zinc/25/93/53/438259353.db2.gz ZDJHCWDAXZXJDN-GIPNMCIBSA-N 1 2 332.326 0.390 20 30 ECEDLO CCOCC[C@@H](O)C[N@@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000376090801 438271362 /nfs/dbraw/zinc/27/13/62/438271362.db2.gz AALXABARLLSNHB-QGZVFWFLSA-N 1 2 331.416 0.990 20 30 ECEDLO CCOCC[C@@H](O)C[N@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000376090801 438271365 /nfs/dbraw/zinc/27/13/65/438271365.db2.gz AALXABARLLSNHB-QGZVFWFLSA-N 1 2 331.416 0.990 20 30 ECEDLO N#CCNC(=O)CNC(=O)[C@@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000376186145 438272922 /nfs/dbraw/zinc/27/29/22/438272922.db2.gz FEWPLHRZPBIVSU-CQSZACIVSA-N 1 2 337.383 0.868 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000376739199 438291507 /nfs/dbraw/zinc/29/15/07/438291507.db2.gz HXAPJHCIQDXGGH-CYBMUJFWSA-N 1 2 327.450 0.014 20 30 ECEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)CCCCC1 ZINC000377920198 438333563 /nfs/dbraw/zinc/33/35/63/438333563.db2.gz UINXQEKRMWXYMN-GFCCVEGCSA-N 1 2 328.438 0.082 20 30 ECEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)CCCCC1 ZINC000377920198 438333565 /nfs/dbraw/zinc/33/35/65/438333565.db2.gz UINXQEKRMWXYMN-GFCCVEGCSA-N 1 2 328.438 0.082 20 30 ECEDLO C[N@@H+]1CCN(C2CCN(C(=O)NCC3(CC#N)CC3)CC2)C(=O)C1 ZINC000377235061 438305341 /nfs/dbraw/zinc/30/53/41/438305341.db2.gz YBLWZRCQXLJLFR-UHFFFAOYSA-N 1 2 333.436 0.628 20 30 ECEDLO C[N@H+]1CCN(C2CCN(C(=O)NCC3(CC#N)CC3)CC2)C(=O)C1 ZINC000377235061 438305347 /nfs/dbraw/zinc/30/53/47/438305347.db2.gz YBLWZRCQXLJLFR-UHFFFAOYSA-N 1 2 333.436 0.628 20 30 ECEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1)c1ccccc1 ZINC000377394326 438309080 /nfs/dbraw/zinc/30/90/80/438309080.db2.gz XAFZMTRARWRPFY-HZPDHXFCSA-N 1 2 342.399 0.523 20 30 ECEDLO N#CCCN(C(=O)C[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1)c1ccccc1 ZINC000377394326 438309084 /nfs/dbraw/zinc/30/90/84/438309084.db2.gz XAFZMTRARWRPFY-HZPDHXFCSA-N 1 2 342.399 0.523 20 30 ECEDLO CC(C)(CNC(=O)CN1CCC(F)(C#N)CC1)[NH+]1CCOCC1 ZINC000352457707 438425834 /nfs/dbraw/zinc/42/58/34/438425834.db2.gz DTSGGYPAZDIGSP-UHFFFAOYSA-N 1 2 326.416 0.541 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC(CNS(C)(=O)=O)CC1)C1CC1 ZINC000352257807 438404354 /nfs/dbraw/zinc/40/43/54/438404354.db2.gz XYXHPLDQGOUVLF-HNNXBMFYSA-N 1 2 342.465 0.056 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000369583956 438492719 /nfs/dbraw/zinc/49/27/19/438492719.db2.gz DDLXXODVOQQACF-CQSZACIVSA-N 1 2 339.417 0.845 20 30 ECEDLO CN(C)C(=O)COC1C[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000353007497 438499344 /nfs/dbraw/zinc/49/93/44/438499344.db2.gz BEVPRLZKJAQEPD-OAHLLOKOSA-N 1 2 347.415 0.281 20 30 ECEDLO COC(=O)[C@H](O)C1CC[NH+](CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000441221117 438579817 /nfs/dbraw/zinc/57/98/17/438579817.db2.gz FZBXBDOEJGHYHO-OAHLLOKOSA-N 1 2 349.387 0.953 20 30 ECEDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000442645541 438614988 /nfs/dbraw/zinc/61/49/88/438614988.db2.gz GBCVHVZHNXOWCG-GFCCVEGCSA-N 1 2 331.372 0.973 20 30 ECEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCOC[C@H]3CC(N)=O)C2=O)cc1 ZINC000452082853 438635336 /nfs/dbraw/zinc/63/53/36/438635336.db2.gz KTQUNUGMAABVBM-CVEARBPZSA-N 1 2 342.399 0.630 20 30 ECEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCOC[C@H]3CC(N)=O)C2=O)cc1 ZINC000452082853 438635339 /nfs/dbraw/zinc/63/53/39/438635339.db2.gz KTQUNUGMAABVBM-CVEARBPZSA-N 1 2 342.399 0.630 20 30 ECEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCOC[C@H]3CC(N)=O)C2=O)cc1 ZINC000452082861 438635397 /nfs/dbraw/zinc/63/53/97/438635397.db2.gz KTQUNUGMAABVBM-HZPDHXFCSA-N 1 2 342.399 0.630 20 30 ECEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCOC[C@H]3CC(N)=O)C2=O)cc1 ZINC000452082861 438635402 /nfs/dbraw/zinc/63/54/02/438635402.db2.gz KTQUNUGMAABVBM-HZPDHXFCSA-N 1 2 342.399 0.630 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451879675 438610696 /nfs/dbraw/zinc/61/06/96/438610696.db2.gz SBQJTTIVWXPKRX-LLVKDONJSA-N 1 2 336.358 0.814 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451879675 438610699 /nfs/dbraw/zinc/61/06/99/438610699.db2.gz SBQJTTIVWXPKRX-LLVKDONJSA-N 1 2 336.358 0.814 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000410911939 438668205 /nfs/dbraw/zinc/66/82/05/438668205.db2.gz SNDDBDQXVLVFGK-UHFFFAOYSA-N 1 2 346.431 0.700 20 30 ECEDLO C=CCCCN(C)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446778565 438671040 /nfs/dbraw/zinc/67/10/40/438671040.db2.gz WXZQIKHLVSQFRP-UHFFFAOYSA-N 1 2 349.435 0.578 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000447673008 438677725 /nfs/dbraw/zinc/67/77/25/438677725.db2.gz WFZLUCYTLXDBTN-UHFFFAOYSA-N 1 2 344.375 0.895 20 30 ECEDLO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C)cc(C#N)c2)C[C@@H]1C ZINC000453645786 438686658 /nfs/dbraw/zinc/68/66/58/438686658.db2.gz OYVXJJOSKNXHQA-AWEZNQCLSA-N 1 2 344.415 0.984 20 30 ECEDLO COCC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C)cc(C#N)c2)C[C@@H]1C ZINC000453645786 438686660 /nfs/dbraw/zinc/68/66/60/438686660.db2.gz OYVXJJOSKNXHQA-AWEZNQCLSA-N 1 2 344.415 0.984 20 30 ECEDLO CC1(C)C[N@H+](CCNC(=O)C(=O)Nc2cccc(CC#N)c2)CCO1 ZINC000453630792 438687088 /nfs/dbraw/zinc/68/70/88/438687088.db2.gz RLPGBZBXUNOSPS-UHFFFAOYSA-N 1 2 344.415 0.918 20 30 ECEDLO CC1(C)C[N@@H+](CCNC(=O)C(=O)Nc2cccc(CC#N)c2)CCO1 ZINC000453630792 438687091 /nfs/dbraw/zinc/68/70/91/438687091.db2.gz RLPGBZBXUNOSPS-UHFFFAOYSA-N 1 2 344.415 0.918 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(C(=O)OCC)cn2)CC1 ZINC000450217376 438690409 /nfs/dbraw/zinc/69/04/09/438690409.db2.gz PQKLMXXTPICAOD-UHFFFAOYSA-N 1 2 346.431 0.678 20 30 ECEDLO C=C(C)CCNC(=O)N1CC[NH+]([C@H](C)C(=O)NCCCOC)CC1 ZINC000455303714 438741425 /nfs/dbraw/zinc/74/14/25/438741425.db2.gz ATMKWZDYFDYTOL-OAHLLOKOSA-N 1 2 340.468 0.821 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000455390928 438743545 /nfs/dbraw/zinc/74/35/45/438743545.db2.gz AGCAXQSQHRXOFB-CABCVRRESA-N 1 2 336.436 0.280 20 30 ECEDLO Cn1ncc2c1nc(N)[nH+]c2N1CCN(c2ccccc2C#N)CC1 ZINC000576957131 438806965 /nfs/dbraw/zinc/80/69/65/438806965.db2.gz KSTKCDHRCCHSEP-UHFFFAOYSA-N 1 2 334.387 1.144 20 30 ECEDLO N#Cc1csc(C[NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)n1 ZINC000558486181 438810615 /nfs/dbraw/zinc/81/06/15/438810615.db2.gz RYBLKVISPJEPHI-GFCCVEGCSA-N 1 2 335.433 0.037 20 30 ECEDLO CN(C)S(=O)(=O)n1ccnc1C[NH2+]Cc1ccc(CC#N)cc1 ZINC000577178054 438821878 /nfs/dbraw/zinc/82/18/78/438821878.db2.gz JVCNUISOJOTPLG-UHFFFAOYSA-N 1 2 333.417 0.893 20 30 ECEDLO CC1(C)[C@H](NS(=O)(=O)c2ccc(C#N)o2)C[C@H]1[NH+]1CCOCC1 ZINC000601452006 438900794 /nfs/dbraw/zinc/90/07/94/438900794.db2.gz DAKAXXDGZZSTMZ-CHWSQXEVSA-N 1 2 339.417 0.929 20 30 ECEDLO N#Cc1csc(C[NH2+]CCS(=O)(=O)N2CCSCC2)n1 ZINC000589311784 438868210 /nfs/dbraw/zinc/86/82/10/438868210.db2.gz XRYBTSRNMLQLHH-UHFFFAOYSA-N 1 2 332.476 0.483 20 30 ECEDLO Cn1cc(-n2cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccc2=O)cn1 ZINC000564090318 438870228 /nfs/dbraw/zinc/87/02/28/438870228.db2.gz NSRISXOSICAOJO-INIZCTEOSA-N 1 2 328.376 0.145 20 30 ECEDLO N#CCc1ccccc1S(=O)(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000601389553 438873073 /nfs/dbraw/zinc/87/30/73/438873073.db2.gz ATBYLSBDRCGQDZ-JKSUJKDBSA-N 1 2 349.456 0.972 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000595902151 438881644 /nfs/dbraw/zinc/88/16/44/438881644.db2.gz HLOZPSPJUIKOJF-NSHDSACASA-N 1 2 330.388 0.544 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000595902151 438881650 /nfs/dbraw/zinc/88/16/50/438881650.db2.gz HLOZPSPJUIKOJF-NSHDSACASA-N 1 2 330.388 0.544 20 30 ECEDLO N#Cc1ccc(CS(=O)(=O)N2CC(C[NH+]3CCOCC3)C2)cc1 ZINC000601418537 438885280 /nfs/dbraw/zinc/88/52/80/438885280.db2.gz VEBLLNSFRBNVMF-UHFFFAOYSA-N 1 2 335.429 0.652 20 30 ECEDLO N#CCCCNC(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000596555005 438975278 /nfs/dbraw/zinc/97/52/78/438975278.db2.gz OGUPZWWOHJURBD-SFHVURJKSA-N 1 2 346.431 0.853 20 30 ECEDLO N#CCCCNC(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000596555005 438975284 /nfs/dbraw/zinc/97/52/84/438975284.db2.gz OGUPZWWOHJURBD-SFHVURJKSA-N 1 2 346.431 0.853 20 30 ECEDLO N#CC1(CC(=O)N2CC[NH+](CCc3cnccn3)CC2)CCOCC1 ZINC000601888846 438983221 /nfs/dbraw/zinc/98/32/21/438983221.db2.gz ZJCGQDPLMLASTH-UHFFFAOYSA-N 1 2 343.431 0.874 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000565895674 438986406 /nfs/dbraw/zinc/98/64/06/438986406.db2.gz USKCZZNFSIGZAT-HNNXBMFYSA-N 1 2 343.347 0.749 20 30 ECEDLO N#CC[C@@H]1CCCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000596750910 438996323 /nfs/dbraw/zinc/99/63/23/438996323.db2.gz YJGMKVHXHCUSAP-HNNXBMFYSA-N 1 2 346.435 1.373 20 30 ECEDLO C[C@]1(C#N)CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000596781472 438997956 /nfs/dbraw/zinc/99/79/56/438997956.db2.gz SRTSOVSGCQSONF-MRXNPFEDSA-N 1 2 332.408 0.983 20 30 ECEDLO C[C@@H](NC(=O)C(=O)Nc1cc(F)cc(C#N)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000602025675 438999297 /nfs/dbraw/zinc/99/92/97/438999297.db2.gz ZULGKEGCCQMWLW-VXGBXAGGSA-N 1 2 348.378 0.861 20 30 ECEDLO N#Cc1ccc(C(=O)NCC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000566052890 439000269 /nfs/dbraw/zinc/00/02/69/439000269.db2.gz XJLFMQXFSIXGCT-IYBDPMFKSA-N 1 2 342.399 0.267 20 30 ECEDLO N#Cc1ccc(C(=O)NCC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000566052890 439000274 /nfs/dbraw/zinc/00/02/74/439000274.db2.gz XJLFMQXFSIXGCT-IYBDPMFKSA-N 1 2 342.399 0.267 20 30 ECEDLO Cn1cc[nH+]c1CN1CCN(C(=O)CC2(C#N)CCOCC2)CC1 ZINC000597173270 439053811 /nfs/dbraw/zinc/05/38/11/439053811.db2.gz DDBPLWBGORGQCF-UHFFFAOYSA-N 1 2 331.420 0.775 20 30 ECEDLO CN1C[C@@H]([N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)CCC1=O ZINC000566425067 439054587 /nfs/dbraw/zinc/05/45/87/439054587.db2.gz RYNKJIQOVIRMFG-AWEZNQCLSA-N 1 2 335.429 0.885 20 30 ECEDLO CN1C[C@@H]([N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)CCC1=O ZINC000566425067 439054592 /nfs/dbraw/zinc/05/45/92/439054592.db2.gz RYNKJIQOVIRMFG-AWEZNQCLSA-N 1 2 335.429 0.885 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCC1(CC#N)CC1 ZINC000602305654 439062729 /nfs/dbraw/zinc/06/27/29/439062729.db2.gz GZKLTMVLYGIIIW-KRWDZBQOSA-N 1 2 336.436 0.595 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCC1(CC#N)CC1 ZINC000602305654 439062733 /nfs/dbraw/zinc/06/27/33/439062733.db2.gz GZKLTMVLYGIIIW-KRWDZBQOSA-N 1 2 336.436 0.595 20 30 ECEDLO C=CCCSCCNC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000597256823 439063446 /nfs/dbraw/zinc/06/34/46/439063446.db2.gz HJCSGMMBCDNURQ-UONOGXRCSA-N 1 2 343.493 0.637 20 30 ECEDLO Cn1ccnc1COCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000597022454 439029917 /nfs/dbraw/zinc/02/99/17/439029917.db2.gz PKOAEBUNVACGRK-UHFFFAOYSA-N 1 2 335.408 0.011 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccnc2c1CC(=O)N2 ZINC000597023629 439030321 /nfs/dbraw/zinc/03/03/21/439030321.db2.gz YAWQLMIIHOBDAU-UHFFFAOYSA-N 1 2 343.387 0.264 20 30 ECEDLO C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000566304855 439038699 /nfs/dbraw/zinc/03/86/99/439038699.db2.gz QYBIENSPKLTPRY-CYBMUJFWSA-N 1 2 338.389 0.932 20 30 ECEDLO C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000566304855 439038705 /nfs/dbraw/zinc/03/87/05/439038705.db2.gz QYBIENSPKLTPRY-CYBMUJFWSA-N 1 2 338.389 0.932 20 30 ECEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000602451376 439087904 /nfs/dbraw/zinc/08/79/04/439087904.db2.gz YZSPOVYJGYWUJU-CYBMUJFWSA-N 1 2 346.387 0.930 20 30 ECEDLO CN(CC[NH+]1CCOCC1)C(=O)C(=O)NCC1(C#N)CCCCC1 ZINC000597401441 439092633 /nfs/dbraw/zinc/09/26/33/439092633.db2.gz SPICAHXROLDUBI-UHFFFAOYSA-N 1 2 336.436 0.367 20 30 ECEDLO Cn1c[nH+]c(CCNC(=O)C(=O)NCc2ccc(CC#N)cc2)c1 ZINC000521042876 439104139 /nfs/dbraw/zinc/10/41/39/439104139.db2.gz WKZHTIAIXVTGHR-UHFFFAOYSA-N 1 2 325.372 0.461 20 30 ECEDLO CC[C@H](C#N)N(C)C(=O)[C@@H]1OCC(=O)N(CC)[C@H]1c1[nH+]ccn1C ZINC000602356171 439070763 /nfs/dbraw/zinc/07/07/63/439070763.db2.gz WZWDNSOSDPUGNF-MRVWCRGKSA-N 1 2 333.392 0.469 20 30 ECEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000592147714 439167032 /nfs/dbraw/zinc/16/70/32/439167032.db2.gz RNRXZNHSPAHPNU-LPHOPBHVSA-N 1 2 342.443 0.980 20 30 ECEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000592147714 439167038 /nfs/dbraw/zinc/16/70/38/439167038.db2.gz RNRXZNHSPAHPNU-LPHOPBHVSA-N 1 2 342.443 0.980 20 30 ECEDLO C=CCn1cc(CNC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)nn1 ZINC000567734061 439172289 /nfs/dbraw/zinc/17/22/89/439172289.db2.gz JLDNFBLVRHXNSX-ZFWWWQNUSA-N 1 2 334.424 0.469 20 30 ECEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)Nc2cccc(C#N)n2)C[C@H](C)O1 ZINC000521872905 439133153 /nfs/dbraw/zinc/13/31/53/439133153.db2.gz NJNFRJYXQRBHRB-BETUJISGSA-N 1 2 345.403 0.459 20 30 ECEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)Nc2cccc(C#N)n2)C[C@H](C)O1 ZINC000521872905 439133160 /nfs/dbraw/zinc/13/31/60/439133160.db2.gz NJNFRJYXQRBHRB-BETUJISGSA-N 1 2 345.403 0.459 20 30 ECEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc1C#N ZINC000597623565 439140861 /nfs/dbraw/zinc/14/08/61/439140861.db2.gz AJGLGJXCSADOMI-LBPRGKRZSA-N 1 2 347.444 0.500 20 30 ECEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)cc1C#N ZINC000597623565 439140865 /nfs/dbraw/zinc/14/08/65/439140865.db2.gz AJGLGJXCSADOMI-LBPRGKRZSA-N 1 2 347.444 0.500 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000592192288 439173637 /nfs/dbraw/zinc/17/36/37/439173637.db2.gz BTVKGHMYTCZKOC-RTXFEEFZSA-N 1 2 349.387 0.951 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000592192288 439173640 /nfs/dbraw/zinc/17/36/40/439173640.db2.gz BTVKGHMYTCZKOC-RTXFEEFZSA-N 1 2 349.387 0.951 20 30 ECEDLO Cn1c(C#N)ccc1C(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000597640255 439147011 /nfs/dbraw/zinc/14/70/11/439147011.db2.gz JLSKFBWFVVUHER-GFCCVEGCSA-N 1 2 328.376 0.922 20 30 ECEDLO Cn1c(C#N)ccc1C(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000597640255 439147017 /nfs/dbraw/zinc/14/70/17/439147017.db2.gz JLSKFBWFVVUHER-GFCCVEGCSA-N 1 2 328.376 0.922 20 30 ECEDLO CCc1ccccc1NC(=O)CNC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146338 439163496 /nfs/dbraw/zinc/16/34/96/439163496.db2.gz BRKDGXSUHHFWHE-SFHVURJKSA-N 1 2 344.415 0.654 20 30 ECEDLO CCc1ccccc1NC(=O)CNC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146338 439163504 /nfs/dbraw/zinc/16/35/04/439163504.db2.gz BRKDGXSUHHFWHE-SFHVURJKSA-N 1 2 344.415 0.654 20 30 ECEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000581497029 439220484 /nfs/dbraw/zinc/22/04/84/439220484.db2.gz JHEFOOXSSHKMJN-CYBMUJFWSA-N 1 2 332.470 0.445 20 30 ECEDLO CN(C)C(=O)C[NH+]1CCN(c2c(C#N)cnn2-c2ccccc2)CC1 ZINC000603268111 439223852 /nfs/dbraw/zinc/22/38/52/439223852.db2.gz FPKSSCUFORCGMO-UHFFFAOYSA-N 1 2 338.415 0.954 20 30 ECEDLO N#CC[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000597910962 439197861 /nfs/dbraw/zinc/19/78/61/439197861.db2.gz DKQPEVZWWVXQAI-HOTGVXAUSA-N 1 2 348.447 0.319 20 30 ECEDLO CCN(CCC#N)C(=O)Cn1cc(C[NH+]2CCC(OC)CC2)nn1 ZINC000603207582 439209458 /nfs/dbraw/zinc/20/94/58/439209458.db2.gz AJNINAIDWXGRNF-UHFFFAOYSA-N 1 2 334.424 0.651 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2sc(CC)nc2C)CC1 ZINC000490618173 439280496 /nfs/dbraw/zinc/28/04/96/439280496.db2.gz VJWWRTZBWVXAKZ-UHFFFAOYSA-N 1 2 348.472 0.911 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2sc(CC)nc2C)CC1 ZINC000490618173 439280500 /nfs/dbraw/zinc/28/05/00/439280500.db2.gz VJWWRTZBWVXAKZ-UHFFFAOYSA-N 1 2 348.472 0.911 20 30 ECEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cc(C#N)ncn2)CC1 ZINC000582040460 439281458 /nfs/dbraw/zinc/28/14/58/439281458.db2.gz VGEKVABMVWSUDU-CYBMUJFWSA-N 1 2 328.420 0.918 20 30 ECEDLO C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1[nH+]ccn1C ZINC000598458976 439266026 /nfs/dbraw/zinc/26/60/26/439266026.db2.gz AXFHGPCCGGWEIA-NSHDSACASA-N 1 2 347.400 0.447 20 30 ECEDLO C#C[C@@H](NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)C(C)C ZINC000490950965 439317594 /nfs/dbraw/zinc/31/75/94/439317594.db2.gz VKVFNOPQZBATNZ-OAHLLOKOSA-N 1 2 330.436 0.556 20 30 ECEDLO N#Cc1ccncc1N1CC[NH+](C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000582337241 439322025 /nfs/dbraw/zinc/32/20/25/439322025.db2.gz JDVAQYZBKVLNNK-AWEZNQCLSA-N 1 2 334.445 0.900 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCN(CCC)C(=O)C2(C)C)CC1 ZINC000491023162 439324200 /nfs/dbraw/zinc/32/42/00/439324200.db2.gz VRUPBCSJNVJPCE-UHFFFAOYSA-N 1 2 334.464 0.097 20 30 ECEDLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528402167 439333100 /nfs/dbraw/zinc/33/31/00/439333100.db2.gz CTKQEVMJMABHOW-ZIAGYGMSSA-N 1 2 328.368 0.368 20 30 ECEDLO C[C@@H]1CO[C@@H](CO)C[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528402167 439333103 /nfs/dbraw/zinc/33/31/03/439333103.db2.gz CTKQEVMJMABHOW-ZIAGYGMSSA-N 1 2 328.368 0.368 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2cncs2)CC1 ZINC000491122787 439335618 /nfs/dbraw/zinc/33/56/18/439335618.db2.gz XQRAWQZMWRKCTA-UHFFFAOYSA-N 1 2 334.445 0.359 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2cncs2)CC1 ZINC000491122787 439335624 /nfs/dbraw/zinc/33/56/24/439335624.db2.gz XQRAWQZMWRKCTA-UHFFFAOYSA-N 1 2 334.445 0.359 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+](CCO)Cc2ccccc2OC)CC1 ZINC000490781107 439297420 /nfs/dbraw/zinc/29/74/20/439297420.db2.gz WFTXOGFKHOJJDC-UHFFFAOYSA-N 1 2 345.443 0.267 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+](CCO)Cc2ccccc2OC)CC1 ZINC000490781107 439297423 /nfs/dbraw/zinc/29/74/23/439297423.db2.gz WFTXOGFKHOJJDC-UHFFFAOYSA-N 1 2 345.443 0.267 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)C[C@](C)(CC(C)C)C2=O)CC1 ZINC000490779162 439297583 /nfs/dbraw/zinc/29/75/83/439297583.db2.gz RPNUCUBVAFLIGD-SFHVURJKSA-N 1 2 333.432 0.575 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(C)Cc2c(C)nc3sccn23)CC1 ZINC000490866814 439305410 /nfs/dbraw/zinc/30/54/10/439305410.db2.gz VJZHIZHBVRDEQV-UHFFFAOYSA-N 1 2 345.472 0.913 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+](C)Cc2c(C)nc3sccn23)CC1 ZINC000490866814 439305414 /nfs/dbraw/zinc/30/54/14/439305414.db2.gz VJZHIZHBVRDEQV-UHFFFAOYSA-N 1 2 345.472 0.913 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+](C)Cc2c(C)nc3sccn23)CC1 ZINC000490866814 439305418 /nfs/dbraw/zinc/30/54/18/439305418.db2.gz VJZHIZHBVRDEQV-UHFFFAOYSA-N 1 2 345.472 0.913 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2cccc(O[C@@H](C)C(N)=O)c2)CC1 ZINC000490877945 439306448 /nfs/dbraw/zinc/30/64/48/439306448.db2.gz ZYMGEPQTFXXFCM-AWEZNQCLSA-N 1 2 345.399 0.095 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000490897537 439308839 /nfs/dbraw/zinc/30/88/39/439308839.db2.gz CGDMYQQRIOFRBH-UHFFFAOYSA-N 1 2 340.427 0.066 20 30 ECEDLO C#C[C@@H]1COCCN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000491299068 439364997 /nfs/dbraw/zinc/36/49/97/439364997.db2.gz XZHPIJUWOHZIAT-GOSISDBHSA-N 1 2 343.427 0.791 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000491164844 439341078 /nfs/dbraw/zinc/34/10/78/439341078.db2.gz GEDGSJVBPBVLMO-MRXNPFEDSA-N 1 2 336.480 0.387 20 30 ECEDLO CC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)OC)CC1 ZINC000593523512 439391638 /nfs/dbraw/zinc/39/16/38/439391638.db2.gz NIARTBPHISEFLF-UHFFFAOYSA-N 1 2 337.401 0.671 20 30 ECEDLO CC[C@@H](C#N)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000593482396 439388192 /nfs/dbraw/zinc/38/81/92/439388192.db2.gz XSONHZGQMHEPCP-AWEZNQCLSA-N 1 2 344.419 0.512 20 30 ECEDLO CC[C@@H](C#N)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000593482396 439388197 /nfs/dbraw/zinc/38/81/97/439388197.db2.gz XSONHZGQMHEPCP-AWEZNQCLSA-N 1 2 344.419 0.512 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2Cc3ccccc3NC(=O)C2)CC1 ZINC000491619318 439411931 /nfs/dbraw/zinc/41/19/31/439411931.db2.gz BXACOMPZPXXMAJ-UHFFFAOYSA-N 1 2 326.400 0.218 20 30 ECEDLO CO[C@@H]1COC[C@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000570392744 439416795 /nfs/dbraw/zinc/41/67/95/439416795.db2.gz LVXBPEYURGVSBB-IAGOWNOFSA-N 1 2 344.415 0.799 20 30 ECEDLO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000593595845 439417457 /nfs/dbraw/zinc/41/74/57/439417457.db2.gz LGGCABZQXWTGOF-UHFFFAOYSA-N 1 2 346.368 0.746 20 30 ECEDLO C#C[C@H]1COCCN1C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000491654397 439419407 /nfs/dbraw/zinc/41/94/07/439419407.db2.gz AADTWTGUYRQCPB-HNNXBMFYSA-N 1 2 338.367 0.886 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCOC2)CC1 ZINC000491673260 439425045 /nfs/dbraw/zinc/42/50/45/439425045.db2.gz IHGVPGIJSIJTQW-HOTGVXAUSA-N 1 2 345.447 0.574 20 30 ECEDLO C#CCNS(=O)(=O)c1cccc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)c1 ZINC000491704002 439429596 /nfs/dbraw/zinc/42/95/96/439429596.db2.gz XSIOLDBYMJTIBS-UHFFFAOYSA-N 1 2 346.412 0.986 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2c(C)c(C)ncc2[N+](=O)[O-])CC1 ZINC000491718633 439434874 /nfs/dbraw/zinc/43/48/74/439434874.db2.gz VSINQXVWGUTKFR-UHFFFAOYSA-N 1 2 332.360 0.763 20 30 ECEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593651596 439435788 /nfs/dbraw/zinc/43/57/88/439435788.db2.gz LRFRIDCCWKVHSG-CYBMUJFWSA-N 1 2 341.820 0.651 20 30 ECEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593651596 439435792 /nfs/dbraw/zinc/43/57/92/439435792.db2.gz LRFRIDCCWKVHSG-CYBMUJFWSA-N 1 2 341.820 0.651 20 30 ECEDLO C#CC[NH+]1CCN(CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000491752921 439442240 /nfs/dbraw/zinc/44/22/40/439442240.db2.gz NGKVPLOJPRHUSN-KRWDZBQOSA-N 1 2 344.371 0.740 20 30 ECEDLO CC[C@@](COC)([NH2+]C[C@H](O)CC1(C#N)CCOCC1)C(=O)OC ZINC000599437927 439467129 /nfs/dbraw/zinc/46/71/29/439467129.db2.gz UDHYSVLLTXNAOH-CJNGLKHVSA-N 1 2 328.409 0.616 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc([C@@H]3OCC[C@@H]3C)n2C)CC1 ZINC000571227241 439487256 /nfs/dbraw/zinc/48/72/56/439487256.db2.gz IMNQCEBONMNVQA-DZGCQCFKSA-N 1 2 348.451 0.337 20 30 ECEDLO COCCOCC[NH+]1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000593887694 439487846 /nfs/dbraw/zinc/48/78/46/439487846.db2.gz XYGDCKHLZIHMFJ-UHFFFAOYSA-N 1 2 333.388 0.685 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCC1)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000530333053 439498354 /nfs/dbraw/zinc/49/83/54/439498354.db2.gz OMRODDIPSFMIKC-ZIAGYGMSSA-N 1 2 347.463 0.222 20 30 ECEDLO N#CCN1CCC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000530882096 439503582 /nfs/dbraw/zinc/50/35/82/439503582.db2.gz CDAOLNGUFRMMKH-ZDUSSCGKSA-N 1 2 325.376 0.628 20 30 ECEDLO Cc1cc(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)ncc1C#N ZINC000594293718 439537112 /nfs/dbraw/zinc/53/71/12/439537112.db2.gz YPYKHRZZLLBJPI-UHFFFAOYSA-N 1 2 326.360 0.945 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)nc1 ZINC000531880246 439512817 /nfs/dbraw/zinc/51/28/17/439512817.db2.gz ZNADOVPZYLZWSA-HNNXBMFYSA-N 1 2 330.388 0.517 20 30 ECEDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)/C=C\c2cccc(C#N)c2)CCO1 ZINC000492749684 439568820 /nfs/dbraw/zinc/56/88/20/439568820.db2.gz HOZCHXAQZTWFBE-OGZRUICASA-N 1 2 342.399 0.216 20 30 ECEDLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)/C=C\c2cccc(C#N)c2)CCO1 ZINC000492749684 439568824 /nfs/dbraw/zinc/56/88/24/439568824.db2.gz HOZCHXAQZTWFBE-OGZRUICASA-N 1 2 342.399 0.216 20 30 ECEDLO C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000609565161 439576213 /nfs/dbraw/zinc/57/62/13/439576213.db2.gz YBROLPJFESFZFD-UKRRQHHQSA-N 1 2 340.445 0.857 20 30 ECEDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000609565161 439576215 /nfs/dbraw/zinc/57/62/15/439576215.db2.gz YBROLPJFESFZFD-UKRRQHHQSA-N 1 2 340.445 0.857 20 30 ECEDLO COCCN(CCC#N)C(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000595014795 439648056 /nfs/dbraw/zinc/64/80/56/439648056.db2.gz UMNBVPHHWUAKKK-UHFFFAOYSA-N 1 2 329.360 0.970 20 30 ECEDLO C[C@@]1(C#N)CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000595124372 439657359 /nfs/dbraw/zinc/65/73/59/439657359.db2.gz RHWUGRBAYADAAI-PBHICJAKSA-N 1 2 334.420 0.072 20 30 ECEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1C#N ZINC000610914037 439657871 /nfs/dbraw/zinc/65/78/71/439657871.db2.gz YTDDQEJYCAVENL-JOYOIKCWSA-N 1 2 336.417 0.830 20 30 ECEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1C#N ZINC000610914037 439657872 /nfs/dbraw/zinc/65/78/72/439657872.db2.gz YTDDQEJYCAVENL-JOYOIKCWSA-N 1 2 336.417 0.830 20 30 ECEDLO N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1 ZINC000610963940 439662520 /nfs/dbraw/zinc/66/25/20/439662520.db2.gz REJDZQDFDRCYNQ-ZWKOTPCHSA-N 1 2 339.443 0.643 20 30 ECEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000595156781 439662838 /nfs/dbraw/zinc/66/28/38/439662838.db2.gz XSDFPSMIBCQMER-MRXNPFEDSA-N 1 2 342.399 0.738 20 30 ECEDLO Cc1nc(N2CCN(C(=O)C(=O)N3CC[C@@](C)(C#N)C3)CC2)cc[nH+]1 ZINC000595166697 439665796 /nfs/dbraw/zinc/66/57/96/439665796.db2.gz KWSTYUSHADNOKR-KRWDZBQOSA-N 1 2 342.403 0.196 20 30 ECEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595175063 439667983 /nfs/dbraw/zinc/66/79/83/439667983.db2.gz VXWUQMZUFXPUQJ-KRWDZBQOSA-N 1 2 336.436 0.318 20 30 ECEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595175063 439667987 /nfs/dbraw/zinc/66/79/87/439667987.db2.gz VXWUQMZUFXPUQJ-KRWDZBQOSA-N 1 2 336.436 0.318 20 30 ECEDLO N#CCCN1CC[NH+](CC(=O)NC[C@H]2Cc3ccccc3O2)CC1 ZINC000611173618 439677341 /nfs/dbraw/zinc/67/73/41/439677341.db2.gz CZRJBASFWAYTSK-MRXNPFEDSA-N 1 2 328.416 0.638 20 30 ECEDLO CC[N@H+](CC(=O)N(C)C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000611371149 439694535 /nfs/dbraw/zinc/69/45/35/439694535.db2.gz CADGYHBFYWHQHI-OAHLLOKOSA-N 1 2 337.468 0.089 20 30 ECEDLO CC[N@@H+](CC(=O)N(C)C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000611371149 439694537 /nfs/dbraw/zinc/69/45/37/439694537.db2.gz CADGYHBFYWHQHI-OAHLLOKOSA-N 1 2 337.468 0.089 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(C3CC3)n2CC2CC2)CC1 ZINC000612540747 439725273 /nfs/dbraw/zinc/72/52/73/439725273.db2.gz AEOYCBHTVQMRRK-UHFFFAOYSA-N 1 2 344.463 0.990 20 30 ECEDLO Cc1nsc(N2CC[NH+](CCN3C(=O)CN(C)C3=O)CC2)c1C#N ZINC000595493647 439734228 /nfs/dbraw/zinc/73/42/28/439734228.db2.gz GSJPLILDMJLLNR-UHFFFAOYSA-N 1 2 348.432 0.339 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000614661835 439783946 /nfs/dbraw/zinc/78/39/46/439783946.db2.gz VCHWFYHYIYTQBM-GOEBONIOSA-N 1 2 348.447 0.628 20 30 ECEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCOCC)CC2)C1 ZINC000658459078 439947773 /nfs/dbraw/zinc/94/77/73/439947773.db2.gz CJYNCFQXSAVISS-MRXNPFEDSA-N 1 2 337.464 0.982 20 30 ECEDLO C=CCn1cc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)nn1 ZINC000648282197 440271342 /nfs/dbraw/zinc/27/13/42/440271342.db2.gz JSABNMLTXBLRJC-UHFFFAOYSA-N 1 2 331.380 0.245 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000628577599 440511188 /nfs/dbraw/zinc/51/11/88/440511188.db2.gz UGGINKFIVKSOJM-WMLDXEAASA-N 1 2 326.437 0.700 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000628577599 440511193 /nfs/dbraw/zinc/51/11/93/440511193.db2.gz UGGINKFIVKSOJM-WMLDXEAASA-N 1 2 326.437 0.700 20 30 ECEDLO CC#CC[C@H](CO)NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000645158540 440755403 /nfs/dbraw/zinc/75/54/03/440755403.db2.gz ZVXBHHUPVBAJAU-OAHLLOKOSA-N 1 2 332.404 0.492 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2C[C@@H](C)C(=O)[C@H](C)C2)CC1 ZINC000661544466 440875527 /nfs/dbraw/zinc/87/55/27/440875527.db2.gz DQNZQWIDUZMAKV-OAGGEKHMSA-N 1 2 334.464 0.836 20 30 ECEDLO C=C[C@H](CO)[NH2+]Cc1nc2c(c(=O)[nH]c(=O)n2CCCC)n1CC ZINC000662165211 440978382 /nfs/dbraw/zinc/97/83/82/440978382.db2.gz AAJKNEXMCHMHIR-LLVKDONJSA-N 1 2 335.408 0.755 20 30 ECEDLO C=CCCn1cc(C[NH2+]CCS(=O)(=O)NCC2CCC2)nn1 ZINC000657359600 441002451 /nfs/dbraw/zinc/00/24/51/441002451.db2.gz XDCWVXIBUOBCBK-UHFFFAOYSA-N 1 2 327.454 0.663 20 30 ECEDLO CCC(CC)[C@@H](C(=O)NCCn1cnc(C#N)n1)[NH+]1CCOCC1 ZINC000287030781 320643524 /nfs/dbraw/zinc/64/35/24/320643524.db2.gz WABSKKLVKTVLMQ-HNNXBMFYSA-N 1 2 334.424 0.403 20 30 ECEDLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)CC1 ZINC000570514655 322690150 /nfs/dbraw/zinc/69/01/50/322690150.db2.gz RLRFRUTZOQJXGP-UHFFFAOYSA-N 1 2 345.403 0.461 20 30 ECEDLO Cc1ccnc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)n1 ZINC000576292787 322804841 /nfs/dbraw/zinc/80/48/41/322804841.db2.gz ZIMPNGWQNGGEDS-UHFFFAOYSA-N 1 2 325.372 0.699 20 30 ECEDLO Cc1cc(NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)n(C)n1 ZINC000328812834 546006270 /nfs/dbraw/zinc/00/62/70/546006270.db2.gz FUOTWOBAFDDOKK-UHFFFAOYSA-N 1 2 344.423 0.667 20 30 ECEDLO C[C@H](C(=O)NC(=O)NC1CC1)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000329107602 546014399 /nfs/dbraw/zinc/01/43/99/546014399.db2.gz DXDIDCZVJOJFSE-GFCCVEGCSA-N 1 2 334.424 0.959 20 30 ECEDLO C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCN(Cc2cnn(C)c2)CC1 ZINC000329107602 546014403 /nfs/dbraw/zinc/01/44/03/546014403.db2.gz DXDIDCZVJOJFSE-GFCCVEGCSA-N 1 2 334.424 0.959 20 30 ECEDLO CN1CC[N@H+](C)[C@H](CNC(=O)Cc2ccc(-n3cnnn3)cc2)C1 ZINC000329367328 546022046 /nfs/dbraw/zinc/02/20/46/546022046.db2.gz KVMNPLVZNXNVKH-OAHLLOKOSA-N 1 2 329.408 0.407 20 30 ECEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)Cc2ccc(-n3cnnn3)cc2)C1 ZINC000329367328 546022048 /nfs/dbraw/zinc/02/20/48/546022048.db2.gz KVMNPLVZNXNVKH-OAHLLOKOSA-N 1 2 329.408 0.407 20 30 ECEDLO [O-]C(=[NH+]CCn1cc[nH+]c1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000329656430 546031102 /nfs/dbraw/zinc/03/11/02/546031102.db2.gz GGRQQHQHYBQRSQ-UHFFFAOYSA-N 1 2 341.379 0.057 20 30 ECEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000543758053 546040928 /nfs/dbraw/zinc/04/09/28/546040928.db2.gz KXSSIDNJTBZGPH-LBPRGKRZSA-N 1 2 349.439 0.158 20 30 ECEDLO C[C@H]1COCC[N@H+]1CCNC(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000543758053 546040931 /nfs/dbraw/zinc/04/09/31/546040931.db2.gz KXSSIDNJTBZGPH-LBPRGKRZSA-N 1 2 349.439 0.158 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@H]2O)cn1 ZINC001078032379 782179764 /nfs/dbraw/zinc/17/97/64/782179764.db2.gz LFKHMVVMSLIVKS-CHWSQXEVSA-N 1 2 327.306 0.790 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCC(F)(F)F)C[C@H]2O)cn1 ZINC001078032379 782179768 /nfs/dbraw/zinc/17/97/68/782179768.db2.gz LFKHMVVMSLIVKS-CHWSQXEVSA-N 1 2 327.306 0.790 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(C)c2ccc(OC)c(OC)c2)CC1 ZINC000748812361 579329071 /nfs/dbraw/zinc/32/90/71/579329071.db2.gz CROHHBOWPZSPQV-UHFFFAOYSA-N 1 2 331.416 0.917 20 30 ECEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(Cn2cccc(C#N)c2=O)CC1 ZINC000750607506 579355447 /nfs/dbraw/zinc/35/54/47/579355447.db2.gz BFNREAZWIXNPNI-AWEZNQCLSA-N 1 2 331.420 0.210 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc3c(c2)C(=O)NCC3)CC1 ZINC000754310097 579416191 /nfs/dbraw/zinc/41/61/91/579416191.db2.gz YJBKIYXJDUVTFE-UHFFFAOYSA-N 1 2 326.400 0.162 20 30 ECEDLO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000755311145 579432075 /nfs/dbraw/zinc/43/20/75/579432075.db2.gz XPKQCFOOMGHMHC-CYBMUJFWSA-N 1 2 346.387 0.052 20 30 ECEDLO Oc1ccc(F)cc1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000755500575 579434295 /nfs/dbraw/zinc/43/42/95/579434295.db2.gz YJFDBGDBSJFAQD-UHFFFAOYSA-N 1 2 326.397 0.662 20 30 ECEDLO C#CCOc1ccc(NC(=O)N(CCO)CC[NH+]2CCOCC2)cc1 ZINC000760024289 579502101 /nfs/dbraw/zinc/50/21/01/579502101.db2.gz CXTQGNSMYMQWCA-UHFFFAOYSA-N 1 2 347.415 0.857 20 30 ECEDLO C=CC[N@@H+](Cc1ccc(OCC(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000731214192 578311287 /nfs/dbraw/zinc/31/12/87/578311287.db2.gz GPBFEMGIJGGMFO-CQSZACIVSA-N 1 2 338.429 0.726 20 30 ECEDLO C=CC[N@H+](Cc1ccc(OCC(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000731214192 578311288 /nfs/dbraw/zinc/31/12/88/578311288.db2.gz GPBFEMGIJGGMFO-CQSZACIVSA-N 1 2 338.429 0.726 20 30 ECEDLO CNC(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000732206796 578320972 /nfs/dbraw/zinc/32/09/72/578320972.db2.gz CLXAESFQXBVMPC-ZDUSSCGKSA-N 1 2 339.399 0.878 20 30 ECEDLO CNC(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000732206796 578320973 /nfs/dbraw/zinc/32/09/73/578320973.db2.gz CLXAESFQXBVMPC-ZDUSSCGKSA-N 1 2 339.399 0.878 20 30 ECEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)NCc2ccc(OCC#N)cc2)C1 ZINC000732247747 578321707 /nfs/dbraw/zinc/32/17/07/578321707.db2.gz QOGBKZPFJJEKRR-HNNXBMFYSA-N 1 2 331.420 0.634 20 30 ECEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NCc2ccc(OCC#N)cc2)C1 ZINC000732247747 578321708 /nfs/dbraw/zinc/32/17/08/578321708.db2.gz QOGBKZPFJJEKRR-HNNXBMFYSA-N 1 2 331.420 0.634 20 30 ECEDLO C#CC[N@@H+](Cc1ccc(F)cc1-c1nn[nH]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000735374105 578382837 /nfs/dbraw/zinc/38/28/37/578382837.db2.gz BUWKTXQPGBJWCM-CYBMUJFWSA-N 1 2 349.391 0.628 20 30 ECEDLO C#CC[N@H+](Cc1ccc(F)cc1-c1nn[nH]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000735374105 578382838 /nfs/dbraw/zinc/38/28/38/578382838.db2.gz BUWKTXQPGBJWCM-CYBMUJFWSA-N 1 2 349.391 0.628 20 30 ECEDLO COC(=O)[C@H]1CCCC(=NNC(=S)NCC[NH+]2CCOCC2)C1 ZINC000794867988 578600738 /nfs/dbraw/zinc/60/07/38/578600738.db2.gz CUHWOCLYSQIWDH-LBPRGKRZSA-N 1 2 342.465 0.502 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2occ3c2CCOC3)CC1 ZINC000796180249 578623283 /nfs/dbraw/zinc/62/32/83/578623283.db2.gz OIQUDWLOZDZMAX-UHFFFAOYSA-N 1 2 345.399 0.250 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2occ3c2CCOC3)CC1 ZINC000796180249 578623284 /nfs/dbraw/zinc/62/32/84/578623284.db2.gz OIQUDWLOZDZMAX-UHFFFAOYSA-N 1 2 345.399 0.250 20 30 ECEDLO C[C@@H](C(=O)N1CCC([N@H+](C)CC(F)F)CC1)n1cnc(C#N)n1 ZINC000798971320 578654859 /nfs/dbraw/zinc/65/48/59/578654859.db2.gz NGZNWFHNWPZEEB-JTQLQIEISA-N 1 2 326.351 0.899 20 30 ECEDLO C[C@@H](C(=O)N1CCC([N@@H+](C)CC(F)F)CC1)n1cnc(C#N)n1 ZINC000798971320 578654861 /nfs/dbraw/zinc/65/48/61/578654861.db2.gz NGZNWFHNWPZEEB-JTQLQIEISA-N 1 2 326.351 0.899 20 30 ECEDLO Cn1c(Cl)cnc1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000799467591 578665518 /nfs/dbraw/zinc/66/55/18/578665518.db2.gz CLCUYHXAURNZMI-UHFFFAOYSA-N 1 2 330.845 0.204 20 30 ECEDLO COC(=O)[C@H]1[C@@H](CN(CCC#N)CC[NH+]2CCOCC2)C1(F)F ZINC000787769422 578816332 /nfs/dbraw/zinc/81/63/32/578816332.db2.gz FSCMOEZDTRWLNK-CHWSQXEVSA-N 1 2 331.363 0.589 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2Cc3ccc(F)cc32)CC1 ZINC000793437430 578927928 /nfs/dbraw/zinc/92/79/28/578927928.db2.gz UYRBEASUSGLCSK-KRWDZBQOSA-N 1 2 343.402 0.749 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2Cc3ccc(F)cc32)CC1 ZINC000793437430 578927929 /nfs/dbraw/zinc/92/79/29/578927929.db2.gz UYRBEASUSGLCSK-KRWDZBQOSA-N 1 2 343.402 0.749 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1)[C@H]1CCCO1 ZINC000793867868 578941880 /nfs/dbraw/zinc/94/18/80/578941880.db2.gz TYRDLYXXBTVTDD-IAGOWNOFSA-N 1 2 341.411 0.415 20 30 ECEDLO CCOc1ccnc(N2CCC[N@H+](CC(=O)NCCC#N)CC2)n1 ZINC000767912232 579118781 /nfs/dbraw/zinc/11/87/81/579118781.db2.gz MVOCGCXORPJZHX-UHFFFAOYSA-N 1 2 332.408 0.417 20 30 ECEDLO CCOc1ccnc(N2CCC[N@@H+](CC(=O)NCCC#N)CC2)n1 ZINC000767912232 579118782 /nfs/dbraw/zinc/11/87/82/579118782.db2.gz MVOCGCXORPJZHX-UHFFFAOYSA-N 1 2 332.408 0.417 20 30 ECEDLO COc1ccc(CNC(=O)C(=O)NCCn2cc[nH+]c2)cc1C#N ZINC000775099042 579262666 /nfs/dbraw/zinc/26/26/66/579262666.db2.gz KUVPXVLFNZPCBD-UHFFFAOYSA-N 1 2 327.344 0.196 20 30 ECEDLO N#Cc1ccc(NCCNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)nc1 ZINC000777450661 579298444 /nfs/dbraw/zinc/29/84/44/579298444.db2.gz VKQYYTLTSBTVHL-CYBMUJFWSA-N 1 2 325.376 0.876 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)nc1 ZINC000778334301 579308349 /nfs/dbraw/zinc/30/83/49/579308349.db2.gz ITSSFRMSQUOLSO-INIZCTEOSA-N 1 2 329.400 0.626 20 30 ECEDLO Cn1cc(C[C@@H]2CC(=O)N(C[NH+]3CCC(C)(C#N)CC3)C2=O)cn1 ZINC000779879081 579322150 /nfs/dbraw/zinc/32/21/50/579322150.db2.gz IGAUWORHGWORPE-CQSZACIVSA-N 1 2 329.404 0.921 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000761023624 579519576 /nfs/dbraw/zinc/51/95/76/579519576.db2.gz JJMMEDMMYUMTDS-UHFFFAOYSA-N 1 2 338.389 0.180 20 30 ECEDLO C#CCC(CC#C)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000764369972 579575343 /nfs/dbraw/zinc/57/53/43/579575343.db2.gz BSPGBGWYWRCZFZ-UHFFFAOYSA-N 1 2 325.416 0.378 20 30 ECEDLO CCOC(=O)[C@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000741256824 579769650 /nfs/dbraw/zinc/76/96/50/579769650.db2.gz FWMLTKBSJSLAQZ-DOTOQJQBSA-N 1 2 348.399 0.756 20 30 ECEDLO CCOC(=O)[C@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000741256824 579769651 /nfs/dbraw/zinc/76/96/51/579769651.db2.gz FWMLTKBSJSLAQZ-DOTOQJQBSA-N 1 2 348.399 0.756 20 30 ECEDLO C#CCNC(=O)[C@@H](C)OC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000741335377 579772378 /nfs/dbraw/zinc/77/23/78/579772378.db2.gz FUHPANFTMPCUEL-CQSZACIVSA-N 1 2 330.384 0.814 20 30 ECEDLO COCC[NH+]1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1 ZINC000742273314 579784729 /nfs/dbraw/zinc/78/47/29/579784729.db2.gz RAAMZPCYSOIDQL-UHFFFAOYSA-N 1 2 327.381 0.650 20 30 ECEDLO N#CCn1cc(NC(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)cn1 ZINC000746375696 579837264 /nfs/dbraw/zinc/83/72/64/579837264.db2.gz BFWMSYGNCORHGG-UHFFFAOYSA-N 1 2 349.354 0.847 20 30 ECEDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C#Cc2ccccc2)CC1 ZINC000747223951 579850338 /nfs/dbraw/zinc/85/03/38/579850338.db2.gz PINWCLXNNMFPMH-UHFFFAOYSA-N 1 2 334.441 0.663 20 30 ECEDLO C[C@H]1C[C@H](C)CN(C(=O)CON=C(N)C[NH+]2CCSCC2)C1 ZINC000121460883 588933922 /nfs/dbraw/zinc/93/39/22/588933922.db2.gz RXDRTFZVVAMYRW-STQMWFEESA-N 1 2 328.482 0.829 20 30 ECEDLO C#CC[C@@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)C(=O)OC ZINC000837943947 588966540 /nfs/dbraw/zinc/96/65/40/588966540.db2.gz YFUYRIVMRDKPKB-MRXNPFEDSA-N 1 2 330.384 0.814 20 30 ECEDLO COC(=O)[C@@H](F)CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000891267418 586157681 /nfs/dbraw/zinc/15/76/81/586157681.db2.gz ABBGYSSCTLFIKR-HNNXBMFYSA-N 1 2 348.378 0.897 20 30 ECEDLO C[C@@]1(C#N)CN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CCO1 ZINC000891696844 586189421 /nfs/dbraw/zinc/18/94/21/586189421.db2.gz XSTGUJZNMNPXCB-QGZVFWFLSA-N 1 2 345.403 0.742 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(OC)cc2C)CC1 ZINC000895919596 586213210 /nfs/dbraw/zinc/21/32/10/586213210.db2.gz WHOGOMYHQZMQJS-UHFFFAOYSA-N 1 2 337.445 0.589 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CC[C@@H](C)S(=O)(=O)C2)C1 ZINC000889352990 586253928 /nfs/dbraw/zinc/25/39/28/586253928.db2.gz PVTRUDXIVGAJEP-RDBSUJKOSA-N 1 2 327.450 0.349 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CC[C@@H](C)S(=O)(=O)C2)C1 ZINC000889352990 586253929 /nfs/dbraw/zinc/25/39/29/586253929.db2.gz PVTRUDXIVGAJEP-RDBSUJKOSA-N 1 2 327.450 0.349 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896577336 586259849 /nfs/dbraw/zinc/25/98/49/586259849.db2.gz NMAJKIDJZADVQA-UKRRQHHQSA-N 1 2 346.431 0.696 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000896577336 586259851 /nfs/dbraw/zinc/25/98/51/586259851.db2.gz NMAJKIDJZADVQA-UKRRQHHQSA-N 1 2 346.431 0.696 20 30 ECEDLO C=C1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000892929701 586301215 /nfs/dbraw/zinc/30/12/15/586301215.db2.gz JYHMHRAXMLIRFT-UHFFFAOYSA-N 1 2 329.466 0.857 20 30 ECEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NCc2cc(C#N)ccc2F)C1 ZINC000866883318 586310490 /nfs/dbraw/zinc/31/04/90/586310490.db2.gz PHNRAVFLMQZQOW-CYBMUJFWSA-N 1 2 327.381 0.447 20 30 ECEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NCc2cc(C#N)ccc2F)C1 ZINC000866883318 586310492 /nfs/dbraw/zinc/31/04/92/586310492.db2.gz PHNRAVFLMQZQOW-CYBMUJFWSA-N 1 2 327.381 0.447 20 30 ECEDLO C#CC1(O)CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000899115438 586471041 /nfs/dbraw/zinc/47/10/41/586471041.db2.gz LIFMNKGYBSGIGO-UHFFFAOYSA-N 1 2 328.416 0.190 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc([S@](C)(=O)=NC)c2)CC1 ZINC000902144027 586721887 /nfs/dbraw/zinc/72/18/87/586721887.db2.gz LZLMFADZXXAHJR-DEOSSOPVSA-N 1 2 348.472 0.962 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000839138412 586839640 /nfs/dbraw/zinc/83/96/40/586839640.db2.gz PWKLYWVDDOTYGA-ZDUSSCGKSA-N 1 2 325.409 0.351 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000839138412 586839643 /nfs/dbraw/zinc/83/96/43/586839643.db2.gz PWKLYWVDDOTYGA-ZDUSSCGKSA-N 1 2 325.409 0.351 20 30 ECEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)NCc2ccc(C#N)cc2)C1 ZINC000805479319 586911405 /nfs/dbraw/zinc/91/14/05/586911405.db2.gz MRRAHKAWJLSPHO-OAHLLOKOSA-N 1 2 331.372 0.438 20 30 ECEDLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)NCc2ccc(C#N)cc2)C1 ZINC000805479319 586911408 /nfs/dbraw/zinc/91/14/08/586911408.db2.gz MRRAHKAWJLSPHO-OAHLLOKOSA-N 1 2 331.372 0.438 20 30 ECEDLO N#Cc1cccnc1NCCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000782592171 586934935 /nfs/dbraw/zinc/93/49/35/586934935.db2.gz XBEMBNJWAACHMP-UHFFFAOYSA-N 1 2 329.404 0.736 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000800918143 586976992 /nfs/dbraw/zinc/97/69/92/586976992.db2.gz AUOBROKFSXSBRH-NEPJUHHUSA-N 1 2 345.494 0.574 20 30 ECEDLO CC(C)[C@H](CNS(=O)(=O)c1ccc(C#N)cn1)[NH+]1CCOCC1 ZINC000906820373 586987836 /nfs/dbraw/zinc/98/78/36/586987836.db2.gz MRYDYGIVVZBISJ-AWEZNQCLSA-N 1 2 338.433 0.588 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)nc1 ZINC000907106149 587013367 /nfs/dbraw/zinc/01/33/67/587013367.db2.gz ZMROQGONTSPNQW-KGLIPLIRSA-N 1 2 336.417 0.173 20 30 ECEDLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(C#N)cn1 ZINC000907140140 587017456 /nfs/dbraw/zinc/01/74/56/587017456.db2.gz CQUUBAOBSZVCQP-GFCCVEGCSA-N 1 2 338.433 0.419 20 30 ECEDLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(C#N)cn1 ZINC000907140140 587017459 /nfs/dbraw/zinc/01/74/59/587017459.db2.gz CQUUBAOBSZVCQP-GFCCVEGCSA-N 1 2 338.433 0.419 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCOC)CC1 ZINC000802398757 587018382 /nfs/dbraw/zinc/01/83/82/587018382.db2.gz VWPUDRKJAUXSDS-UHFFFAOYSA-N 1 2 329.408 0.080 20 30 ECEDLO C#CCCCNC(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000806910612 587111320 /nfs/dbraw/zinc/11/13/20/587111320.db2.gz ACAYVARZANTOFD-UHFFFAOYSA-N 1 2 343.427 0.739 20 30 ECEDLO C#C[C@H](C)NC(=O)N1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000812036371 587230431 /nfs/dbraw/zinc/23/04/31/587230431.db2.gz DORSYSUFNIWLGK-NHYWBVRUSA-N 1 2 325.372 0.847 20 30 ECEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)c1csc(N)n1 ZINC000812386242 587236675 /nfs/dbraw/zinc/23/66/75/587236675.db2.gz ORYCSUFTSMTDCB-UHFFFAOYSA-N 1 2 328.467 0.246 20 30 ECEDLO C=CCOCCOC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000815240748 587284564 /nfs/dbraw/zinc/28/45/64/587284564.db2.gz AVLPSQJUGLSODD-OAHLLOKOSA-N 1 2 340.420 0.446 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822791896 587680085 /nfs/dbraw/zinc/68/00/85/587680085.db2.gz YGLNMVZRNPTQEH-LLVKDONJSA-N 1 2 340.276 0.656 20 30 ECEDLO CC[C@@H](C)[C@@H](NC(=O)C#CC(C)C)C(=O)NCC[NH+]1CCOCC1 ZINC000827259989 588108773 /nfs/dbraw/zinc/10/87/73/588108773.db2.gz INPRWIFAXSUJPH-NVXWUHKLSA-N 1 2 337.464 0.625 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CC[C@H](c3ccccc3)NC2=O)CC1 ZINC000827518558 588125174 /nfs/dbraw/zinc/12/51/74/588125174.db2.gz ABBXBTRYJPPHEG-QGZVFWFLSA-N 1 2 340.427 0.920 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(CCCNC(=O)C(C)(C)C)n2C)CC1 ZINC000828208257 588166013 /nfs/dbraw/zinc/16/60/13/588166013.db2.gz FHGRLOWQXHSZJD-UHFFFAOYSA-N 1 2 346.479 0.665 20 30 ECEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000829982780 588351795 /nfs/dbraw/zinc/35/17/95/588351795.db2.gz GNPKVJZDYJKQFP-GOSISDBHSA-N 1 2 344.415 0.812 20 30 ECEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000829982780 588351796 /nfs/dbraw/zinc/35/17/96/588351796.db2.gz GNPKVJZDYJKQFP-GOSISDBHSA-N 1 2 344.415 0.812 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3nnn(C)c3C)n2CC2CC2)CC1 ZINC000831142554 588408340 /nfs/dbraw/zinc/40/83/40/588408340.db2.gz LZFLPIHZDBHTBC-UHFFFAOYSA-N 1 2 340.435 0.547 20 30 ECEDLO C=C[C@@H](C)ONC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000846544840 589211224 /nfs/dbraw/zinc/21/12/24/589211224.db2.gz KJHDSDAXBSNRJO-KGLIPLIRSA-N 1 2 325.409 0.322 20 30 ECEDLO Cn1c(C=NNC(=S)NCC[NH+]2CCOCC2)cnc1Cl ZINC000848400676 589292907 /nfs/dbraw/zinc/29/29/07/589292907.db2.gz MVHFBHGWMNRDJD-UHFFFAOYSA-N 1 2 330.845 0.204 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1)[C@@H]1CCCO1 ZINC000850415454 589366287 /nfs/dbraw/zinc/36/62/87/589366287.db2.gz ISPHAUDJEYAOGH-KBPBESRZSA-N 1 2 326.356 0.878 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cc(F)ncn2)CC1 ZINC000852128881 589445308 /nfs/dbraw/zinc/44/53/08/589445308.db2.gz CIWWJEOOTAPLPI-LLVKDONJSA-N 1 2 336.371 0.138 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCO[C@H](CC(F)(F)F)C2)CC1 ZINC000852741979 589509169 /nfs/dbraw/zinc/50/91/69/589509169.db2.gz NCRQTPJRZNELHO-CYBMUJFWSA-N 1 2 333.354 0.417 20 30 ECEDLO COC(=O)CCN1CC[C@H](O[NH+]=C(N)c2ccc(OC)cc2)C1=O ZINC000853654352 589553824 /nfs/dbraw/zinc/55/38/24/589553824.db2.gz HAONVNDHYXDIEI-ZDUSSCGKSA-N 1 2 335.360 0.496 20 30 ECEDLO C#CCCCNC(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000853798047 589559226 /nfs/dbraw/zinc/55/92/26/589559226.db2.gz BKVNHHMZZJRGFE-IBGZPJMESA-N 1 2 345.443 0.963 20 30 ECEDLO C#CCCCNC(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000853798047 589559227 /nfs/dbraw/zinc/55/92/27/589559227.db2.gz BKVNHHMZZJRGFE-IBGZPJMESA-N 1 2 345.443 0.963 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCN3C=O)CC2)cc1 ZINC000854248871 589576575 /nfs/dbraw/zinc/57/65/75/589576575.db2.gz MLEDEDJORJDMDI-KRWDZBQOSA-N 1 2 326.400 0.823 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccs2)CC1 ZINC000112920067 589616819 /nfs/dbraw/zinc/61/68/19/589616819.db2.gz NNPBGYIKRGXPRW-LBPRGKRZSA-N 1 2 341.458 0.192 20 30 ECEDLO C=CCN1C(=O)C(=O)N(CC(=O)N2CCNc3[nH+]cc(C)cc32)C1=O ZINC000857996861 589721640 /nfs/dbraw/zinc/72/16/40/589721640.db2.gz HCBWYIJHPOXXHB-UHFFFAOYSA-N 1 2 343.343 0.125 20 30 ECEDLO C#CC[C@H](COC)NC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000858355184 589743751 /nfs/dbraw/zinc/74/37/51/589743751.db2.gz IOFPUJIIDKYRBG-ZIAGYGMSSA-N 1 2 347.419 0.249 20 30 ECEDLO CCN1C(=O)CO[C@H](C(=O)OCC2(C#N)CC2)[C@H]1c1[nH+]ccn1C ZINC000860423605 589771133 /nfs/dbraw/zinc/77/11/33/589771133.db2.gz URFQMMYWUFWZCS-STQMWFEESA-N 1 2 332.360 0.555 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3cn[nH]c3)n2CCCOCC)CC1 ZINC000859023928 589793416 /nfs/dbraw/zinc/79/34/16/589793416.db2.gz ITMMLNMICWGNOG-UHFFFAOYSA-N 1 2 343.435 0.850 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000868491824 589909770 /nfs/dbraw/zinc/90/97/70/589909770.db2.gz KUJGXALJPHPGIE-UHFFFAOYSA-N 1 2 338.433 0.644 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000863495952 590017639 /nfs/dbraw/zinc/01/76/39/590017639.db2.gz PLXVDTNAGBAUPF-AWEZNQCLSA-N 1 2 343.383 0.610 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000863495952 590017640 /nfs/dbraw/zinc/01/76/40/590017640.db2.gz PLXVDTNAGBAUPF-AWEZNQCLSA-N 1 2 343.383 0.610 20 30 ECEDLO COC(=O)CCN(CC#N)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000871342156 590060811 /nfs/dbraw/zinc/06/08/11/590060811.db2.gz HMLTXGGLERXBQX-INIZCTEOSA-N 1 2 345.399 0.803 20 30 ECEDLO COC(=O)CCN(CC#N)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000871342156 590060813 /nfs/dbraw/zinc/06/08/13/590060813.db2.gz HMLTXGGLERXBQX-INIZCTEOSA-N 1 2 345.399 0.803 20 30 ECEDLO Cc1cccc(C#N)c1S(=O)(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000872489868 590120772 /nfs/dbraw/zinc/12/07/72/590120772.db2.gz RXQHTOAMZDMRHQ-UHFFFAOYSA-N 1 2 335.429 0.819 20 30 ECEDLO COC[C@@]1(C)NC(=O)N(C[N@H+](C)CCc2cccc(C#N)c2)C1=O ZINC000872705659 590143529 /nfs/dbraw/zinc/14/35/29/590143529.db2.gz UIIDFCNNRAMDSD-QGZVFWFLSA-N 1 2 330.388 0.947 20 30 ECEDLO COC[C@@]1(C)NC(=O)N(C[N@@H+](C)CCc2cccc(C#N)c2)C1=O ZINC000872705659 590143531 /nfs/dbraw/zinc/14/35/31/590143531.db2.gz UIIDFCNNRAMDSD-QGZVFWFLSA-N 1 2 330.388 0.947 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](CN3C[C@]4(CCOC4)CC3=O)CC2)cn1 ZINC000872793233 590149559 /nfs/dbraw/zinc/14/95/59/590149559.db2.gz POPSSPYLOAAFLG-SFHVURJKSA-N 1 2 341.415 0.672 20 30 ECEDLO C=CCCSCCNC(=O)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000873939653 590212754 /nfs/dbraw/zinc/21/27/54/590212754.db2.gz HHMDKBWUVXMYNM-UHFFFAOYSA-N 1 2 337.449 0.693 20 30 ECEDLO C=CCCSCCNC(=O)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000873939653 590212756 /nfs/dbraw/zinc/21/27/56/590212756.db2.gz HHMDKBWUVXMYNM-UHFFFAOYSA-N 1 2 337.449 0.693 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000875121048 590272776 /nfs/dbraw/zinc/27/27/76/590272776.db2.gz MDYBVZYOXYPTNA-INIZCTEOSA-N 1 2 329.400 0.273 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000875171265 590277981 /nfs/dbraw/zinc/27/79/81/590277981.db2.gz CYDKBPQAGOTYLH-JTQLQIEISA-N 1 2 346.309 0.216 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879584754 590326431 /nfs/dbraw/zinc/32/64/31/590326431.db2.gz IEVCWWMRSBZWDV-UHFFFAOYSA-N 1 2 327.388 0.692 20 30 ECEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000879717686 590337594 /nfs/dbraw/zinc/33/75/94/590337594.db2.gz HPVUIOKBUJYYLP-DOTOQJQBSA-N 1 2 345.399 0.925 20 30 ECEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000879717686 590337595 /nfs/dbraw/zinc/33/75/95/590337595.db2.gz HPVUIOKBUJYYLP-DOTOQJQBSA-N 1 2 345.399 0.925 20 30 ECEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)CCS(N)(=O)=O ZINC000880083694 590367794 /nfs/dbraw/zinc/36/77/94/590367794.db2.gz GTAGWWAOYSLPNX-GFCCVEGCSA-N 1 2 345.490 0.872 20 30 ECEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)CCS(N)(=O)=O ZINC000880083694 590367795 /nfs/dbraw/zinc/36/77/95/590367795.db2.gz GTAGWWAOYSLPNX-GFCCVEGCSA-N 1 2 345.490 0.872 20 30 ECEDLO CNS(=O)(=O)NC1CC[NH+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000877487992 590467815 /nfs/dbraw/zinc/46/78/15/590467815.db2.gz IJUNWEDWFXXEPM-UHFFFAOYSA-N 1 2 343.840 0.625 20 30 ECEDLO CNC(=O)C[NH+](CC(=O)NC)Cc1ccc(N(C)CCC#N)cc1 ZINC000877838027 590483692 /nfs/dbraw/zinc/48/36/92/590483692.db2.gz RLECBJJRQCUFIP-UHFFFAOYSA-N 1 2 331.420 0.330 20 30 ECEDLO C=CC[N@@H+](C[C@H](O)CC1(CO)CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000878241270 590508789 /nfs/dbraw/zinc/50/87/89/590508789.db2.gz DAJDJTSLMOYAKK-HUUCEWRRSA-N 1 2 331.478 0.965 20 30 ECEDLO C=CC[N@H+](C[C@H](O)CC1(CO)CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000878241270 590508790 /nfs/dbraw/zinc/50/87/90/590508790.db2.gz DAJDJTSLMOYAKK-HUUCEWRRSA-N 1 2 331.478 0.965 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2cn(Cc3cccc(F)c3)nn2)CC1 ZINC000129865091 590575482 /nfs/dbraw/zinc/57/54/82/590575482.db2.gz KYDDMQIIAJWPOT-UHFFFAOYSA-N 1 2 327.363 0.857 20 30 ECEDLO CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(=O)OC ZINC000882763844 590581957 /nfs/dbraw/zinc/58/19/57/590581957.db2.gz BZUVQHMPGQFIPK-GFCCVEGCSA-N 1 2 337.401 0.717 20 30 ECEDLO CC[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(=O)OC ZINC000882763844 590581958 /nfs/dbraw/zinc/58/19/58/590581958.db2.gz BZUVQHMPGQFIPK-GFCCVEGCSA-N 1 2 337.401 0.717 20 30 ECEDLO C#CCOc1ccc([C@H](C)[NH2+]Cc2nnc3n2CCNC3=O)cc1 ZINC000883303236 590611947 /nfs/dbraw/zinc/61/19/47/590611947.db2.gz SDOMVGUSOUUCIY-LBPRGKRZSA-N 1 2 325.372 0.884 20 30 ECEDLO N#C[C@@]12CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@H]1CS(=O)(=O)C2 ZINC000885311556 590713504 /nfs/dbraw/zinc/71/35/04/590713504.db2.gz VENUNOIBMKVCIY-WBMJQRKESA-N 1 2 348.428 0.159 20 30 ECEDLO C[C@@H]1C[N@H+](CCOC(=O)CCNC(=O)C2N=CC=CC2=O)CCO1 ZINC000800172793 590723215 /nfs/dbraw/zinc/72/32/15/590723215.db2.gz CENPBSIKDXPUCL-IUDBQGPFSA-N 1 2 337.376 0.167 20 30 ECEDLO C[C@@H]1C[N@@H+](CCOC(=O)CCNC(=O)C2N=CC=CC2=O)CCO1 ZINC000800172793 590723222 /nfs/dbraw/zinc/72/32/22/590723222.db2.gz CENPBSIKDXPUCL-IUDBQGPFSA-N 1 2 337.376 0.167 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)C1 ZINC000885513674 590729811 /nfs/dbraw/zinc/72/98/11/590729811.db2.gz BXFVYEKKJHQJFM-CQSZACIVSA-N 1 2 347.440 0.581 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)C1 ZINC000885513674 590729814 /nfs/dbraw/zinc/72/98/14/590729814.db2.gz BXFVYEKKJHQJFM-CQSZACIVSA-N 1 2 347.440 0.581 20 30 ECEDLO C=CCOC(=O)[C@@H](N)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000884179577 590764134 /nfs/dbraw/zinc/76/41/34/590764134.db2.gz UEGAGOJXULQARP-INIZCTEOSA-N 1 2 347.415 0.904 20 30 ECEDLO CC(C)C[C@@H]1COCC1=NNC(=S)NCC[NH+]1CCOCC1 ZINC000884381020 590817243 /nfs/dbraw/zinc/81/72/43/590817243.db2.gz SCYYPYPWVBCYRX-CYBMUJFWSA-N 1 2 328.482 0.831 20 30 ECEDLO C#CC[C@H]1CCN(c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)C1 ZINC000884591946 590864786 /nfs/dbraw/zinc/86/47/86/590864786.db2.gz BVTRCVGJFDSEJO-HNNXBMFYSA-N 1 2 348.472 0.867 20 30 ECEDLO COc1ccc(O)c(/C=[NH+]\CCc2nnc3c(=O)n(C)ccn23)c1 ZINC000887270888 590955745 /nfs/dbraw/zinc/95/57/45/590955745.db2.gz VXBACLZEASZURR-YVLHZVERSA-N 1 2 327.344 0.804 20 30 ECEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@H](O)C[C@]3(O)CCOC3)CCO2)c1 ZINC000930135858 611393548 /nfs/dbraw/zinc/39/35/48/611393548.db2.gz PUNXDUXCSZOOHG-FGTMMUONSA-N 1 2 332.400 0.834 20 30 ECEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H](O)C[C@]3(O)CCOC3)CCO2)c1 ZINC000930135858 611393549 /nfs/dbraw/zinc/39/35/49/611393549.db2.gz PUNXDUXCSZOOHG-FGTMMUONSA-N 1 2 332.400 0.834 20 30 ECEDLO C#CC1(O)CC[NH+](CC(=O)Nc2cccc(C(=O)NCC)c2)CC1 ZINC000931146913 611511238 /nfs/dbraw/zinc/51/12/38/611511238.db2.gz SEDPMTKMDQPNDZ-UHFFFAOYSA-N 1 2 329.400 0.835 20 30 ECEDLO CC[C@@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1cccc(C#N)c1O ZINC000926799152 611568052 /nfs/dbraw/zinc/56/80/52/611568052.db2.gz ALGWZETWQOBYDP-QAPCUYQASA-N 1 2 345.399 0.932 20 30 ECEDLO CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000937353918 608611336 /nfs/dbraw/zinc/61/13/36/608611336.db2.gz VYMRVUGTOOCUPV-HZPDHXFCSA-N 1 2 340.427 0.918 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3nncn3C)[C@H](C)C2)c1 ZINC000947711916 611663153 /nfs/dbraw/zinc/66/31/53/611663153.db2.gz YYLPGYRXQNDYMU-CJNGLKHVSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3nncn3C)[C@H](C)C2)c1 ZINC000947711916 611663156 /nfs/dbraw/zinc/66/31/56/611663156.db2.gz YYLPGYRXQNDYMU-CJNGLKHVSA-N 1 2 338.415 0.974 20 30 ECEDLO CN(C(=O)Cn1cc[nH+]c1)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000937055184 608932231 /nfs/dbraw/zinc/93/22/31/608932231.db2.gz VZFTWKWPFZTWLV-ZDUSSCGKSA-N 1 2 326.360 0.456 20 30 ECEDLO CC(=O)N[C@@H]1CCCN(C(=O)CO[NH+]=C(N)Cc2ccccc2)C1 ZINC000151210582 609658461 /nfs/dbraw/zinc/65/84/61/609658461.db2.gz NABZNTBCHKMJEZ-OAHLLOKOSA-N 1 2 332.404 0.645 20 30 ECEDLO Cn1cc([C@@H]2CN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC[NH2+]2)cn1 ZINC000913464657 609676768 /nfs/dbraw/zinc/67/67/68/609676768.db2.gz WLLGGTSTHGLNSQ-HOTGVXAUSA-N 1 2 325.372 0.498 20 30 ECEDLO Cn1c(=O)c2ccc(C(=O)NCC#CC[NH+](C)C)cc2[nH]c1=S ZINC000913516597 609685374 /nfs/dbraw/zinc/68/53/74/609685374.db2.gz XGNDPASSAHKRKW-UHFFFAOYSA-N 1 2 330.413 0.517 20 30 ECEDLO Cc1nc(C#N)c(N2CCC(C(=O)N3CC[N@@H+](C)[C@@H](CO)C3)CC2)o1 ZINC000913544687 609689371 /nfs/dbraw/zinc/68/93/71/609689371.db2.gz KDKHROBASDLQHM-CQSZACIVSA-N 1 2 347.419 0.206 20 30 ECEDLO Cc1nc(C#N)c(N2CCC(C(=O)N3CC[N@H+](C)[C@@H](CO)C3)CC2)o1 ZINC000913544687 609689373 /nfs/dbraw/zinc/68/93/73/609689373.db2.gz KDKHROBASDLQHM-CQSZACIVSA-N 1 2 347.419 0.206 20 30 ECEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2c(C)nn(C)c2Cl)CC1 ZINC000921440334 609717068 /nfs/dbraw/zinc/71/70/68/609717068.db2.gz YQYHOGOMEGTHIY-UHFFFAOYSA-N 1 2 330.841 0.758 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000938288132 609727524 /nfs/dbraw/zinc/72/75/24/609727524.db2.gz DPFFIIFDMRQENK-STQMWFEESA-N 1 2 338.371 0.758 20 30 ECEDLO C=CCC[N@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@H]1C ZINC000947825542 611709238 /nfs/dbraw/zinc/70/92/38/611709238.db2.gz RYHAWXFJVDOBOR-OLZOCXBDSA-N 1 2 344.419 0.616 20 30 ECEDLO C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@H]1C ZINC000947825542 611709239 /nfs/dbraw/zinc/70/92/39/611709239.db2.gz RYHAWXFJVDOBOR-OLZOCXBDSA-N 1 2 344.419 0.616 20 30 ECEDLO CC(C)(C#N)CS(=O)(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000915288714 609909344 /nfs/dbraw/zinc/90/93/44/609909344.db2.gz QFKLRZLZCCKOBY-CQSZACIVSA-N 1 2 329.466 0.910 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)Cc2csc(C#N)c2)C[C@H](C)[N@H+]1CCO ZINC000916106036 609931126 /nfs/dbraw/zinc/93/11/26/609931126.db2.gz BVLNCUGZLWBTNB-TXEJJXNPSA-N 1 2 343.474 0.836 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)Cc2csc(C#N)c2)C[C@H](C)[N@@H+]1CCO ZINC000916106036 609931128 /nfs/dbraw/zinc/93/11/28/609931128.db2.gz BVLNCUGZLWBTNB-TXEJJXNPSA-N 1 2 343.474 0.836 20 30 ECEDLO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC([N@@H+]2CC[C@H](O)C2)C1 ZINC000916614669 609944019 /nfs/dbraw/zinc/94/40/19/609944019.db2.gz KMLNFBQIMXDGEK-INIZCTEOSA-N 1 2 349.456 0.756 20 30 ECEDLO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC([N@H+]2CC[C@H](O)C2)C1 ZINC000916614669 609944020 /nfs/dbraw/zinc/94/40/20/609944020.db2.gz KMLNFBQIMXDGEK-INIZCTEOSA-N 1 2 349.456 0.756 20 30 ECEDLO C[C@H](NC(=O)N1C[C@H](C)N(CC#N)[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000917016824 609957630 /nfs/dbraw/zinc/95/76/30/609957630.db2.gz XNVSFNDQMBURAU-VGWMRTNUSA-N 1 2 337.468 0.723 20 30 ECEDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@H](C#N)C2)CC1 ZINC000917783286 609983820 /nfs/dbraw/zinc/98/38/20/609983820.db2.gz ARHUQPLKBGWZLQ-CYBMUJFWSA-N 1 2 342.465 0.441 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000938988363 610062629 /nfs/dbraw/zinc/06/26/29/610062629.db2.gz MJCMBCNZSVBQGL-INIZCTEOSA-N 1 2 336.395 0.893 20 30 ECEDLO CCCNC(=O)CON=C(N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181838039 610176649 /nfs/dbraw/zinc/17/66/49/610176649.db2.gz GCTPGZZHNVLMJQ-OAHLLOKOSA-N 1 2 334.420 0.702 20 30 ECEDLO CCCNC(=O)CON=C(N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181838039 610176650 /nfs/dbraw/zinc/17/66/50/610176650.db2.gz GCTPGZZHNVLMJQ-OAHLLOKOSA-N 1 2 334.420 0.702 20 30 ECEDLO NC(=NOCC(=O)NC1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181844452 610182574 /nfs/dbraw/zinc/18/25/74/610182574.db2.gz PFDXEAIYISGCSC-OAHLLOKOSA-N 1 2 332.404 0.455 20 30 ECEDLO NC(=NOCC(=O)NC1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181844452 610182575 /nfs/dbraw/zinc/18/25/75/610182575.db2.gz PFDXEAIYISGCSC-OAHLLOKOSA-N 1 2 332.404 0.455 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000939407201 610192867 /nfs/dbraw/zinc/19/28/67/610192867.db2.gz ZQQKIEWQUOOIRW-DZGCQCFKSA-N 1 2 343.431 0.981 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000939407203 610193141 /nfs/dbraw/zinc/19/31/41/610193141.db2.gz ZQQKIEWQUOOIRW-UKRRQHHQSA-N 1 2 343.431 0.981 20 30 ECEDLO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000939523429 610226482 /nfs/dbraw/zinc/22/64/82/610226482.db2.gz IENGBKMLVQYAPA-ZWNOBZJWSA-N 1 2 326.360 0.429 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC000939564517 610238958 /nfs/dbraw/zinc/23/89/58/610238958.db2.gz HAFKGCQQDJFBBU-INIZCTEOSA-N 1 2 337.383 0.702 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)CC2)C1 ZINC000941423015 610308050 /nfs/dbraw/zinc/30/80/50/610308050.db2.gz SYQYYMCTGYBMAZ-MRXNPFEDSA-N 1 2 346.475 0.095 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3snnc3C3CC3)CC2)C1 ZINC000941444485 610309159 /nfs/dbraw/zinc/30/91/59/610309159.db2.gz ORCBCAOTQUAFMM-UHFFFAOYSA-N 1 2 345.472 0.881 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(C4CC4)n(C)n3)CC2)C1 ZINC000941430865 610312082 /nfs/dbraw/zinc/31/20/82/610312082.db2.gz DMQPGEHZFFDERQ-UHFFFAOYSA-N 1 2 341.459 0.763 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCO[C@H]3C(C)C)CC2)C1 ZINC000941433471 610313454 /nfs/dbraw/zinc/31/34/54/610313454.db2.gz WRVOSIAIIKECHJ-ROUUACIJSA-N 1 2 333.476 0.899 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnc4n3CCC4)CC2)C1 ZINC000941440445 610316326 /nfs/dbraw/zinc/31/63/26/610316326.db2.gz IQGDNPZQBUVBDT-UHFFFAOYSA-N 1 2 327.432 0.295 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnn4ncccc34)CC2)C1 ZINC000941440735 610316635 /nfs/dbraw/zinc/31/66/35/610316635.db2.gz PBUJOQDOIKOULH-UHFFFAOYSA-N 1 2 338.415 0.195 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c(C)cc(=O)oc3C)CC2)C1 ZINC000941479981 610335089 /nfs/dbraw/zinc/33/50/89/610335089.db2.gz DZCFMUUZWWMFGS-UHFFFAOYSA-N 1 2 329.400 0.332 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3nc4c(s3)CCC4)CC2)C1 ZINC000941487623 610338859 /nfs/dbraw/zinc/33/88/59/610338859.db2.gz OYDSFWGAMITXHJ-UHFFFAOYSA-N 1 2 330.457 0.707 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCN(C2C[NH+]([C@H](C)C(=O)N(C)C)C2)CC1 ZINC000941516048 610353864 /nfs/dbraw/zinc/35/38/64/610353864.db2.gz JMVSPHJBYDFKQV-CQSZACIVSA-N 1 2 336.480 0.504 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3(c4cc(C)no4)CC3)CC2)C1 ZINC000941528884 610361120 /nfs/dbraw/zinc/36/11/20/610361120.db2.gz DQQMNVCOCXTQNS-UHFFFAOYSA-N 1 2 328.416 0.476 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)C(=O)N3[C@H](C)CCC[C@H]3C)CC2)C1 ZINC000941615307 610410869 /nfs/dbraw/zinc/41/08/69/610410869.db2.gz WOZHBRNPFMKAJA-HZPDHXFCSA-N 1 2 346.475 0.238 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C(C)(C)c3cnn(C)c3)CC2)C1 ZINC000941620692 610425898 /nfs/dbraw/zinc/42/58/98/610425898.db2.gz KSYXZXSKDZURBX-UHFFFAOYSA-N 1 2 343.475 0.549 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3nnn(C(C)C)c3C)CC2)C1 ZINC000941621230 610426359 /nfs/dbraw/zinc/42/63/59/610426359.db2.gz YGVGKODVSSDYTR-UHFFFAOYSA-N 1 2 330.436 0.243 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c(C)n(C)nc3Cl)CC2)C1 ZINC000941653189 610442577 /nfs/dbraw/zinc/44/25/77/610442577.db2.gz HKVYVRRBMFWVRX-UHFFFAOYSA-N 1 2 349.866 0.847 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnn(CC(C)C)c3C)CC2)C1 ZINC000941653194 610442662 /nfs/dbraw/zinc/44/26/62/610442662.db2.gz HONVOWZHCMYCBF-UHFFFAOYSA-N 1 2 343.475 0.923 20 30 ECEDLO CC1(C)C[N@H+](Cc2cc(F)ccc2C#N)CC[C@H]1NC(=O)C(N)=O ZINC000940994928 610474996 /nfs/dbraw/zinc/47/49/96/610474996.db2.gz ZRPUQGIBIQPUFR-CQSZACIVSA-N 1 2 332.379 0.899 20 30 ECEDLO CC1(C)C[N@@H+](Cc2cc(F)ccc2C#N)CC[C@H]1NC(=O)C(N)=O ZINC000940994928 610474997 /nfs/dbraw/zinc/47/49/97/610474997.db2.gz ZRPUQGIBIQPUFR-CQSZACIVSA-N 1 2 332.379 0.899 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1OC ZINC000942516453 610495652 /nfs/dbraw/zinc/49/56/52/610495652.db2.gz DTYOKVWROMLFLW-QLFBSQMISA-N 1 2 333.432 0.226 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1OC ZINC000942516453 610495654 /nfs/dbraw/zinc/49/56/54/610495654.db2.gz DTYOKVWROMLFLW-QLFBSQMISA-N 1 2 333.432 0.226 20 30 ECEDLO Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)[nH]1 ZINC000941962283 610585202 /nfs/dbraw/zinc/58/52/02/610585202.db2.gz DAWJCQZCEHWZAM-QMTHXVAHSA-N 1 2 327.392 0.953 20 30 ECEDLO Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)[nH]1 ZINC000941962283 610585204 /nfs/dbraw/zinc/58/52/04/610585204.db2.gz DAWJCQZCEHWZAM-QMTHXVAHSA-N 1 2 327.392 0.953 20 30 ECEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000942728969 610588760 /nfs/dbraw/zinc/58/87/60/610588760.db2.gz KCZKHGLILNATCY-AWEZNQCLSA-N 1 2 340.387 0.915 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000941225011 610609154 /nfs/dbraw/zinc/60/91/54/610609154.db2.gz HBCKUOMTKASXFN-HUUCEWRRSA-N 1 2 326.400 0.576 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000941308798 610660482 /nfs/dbraw/zinc/66/04/82/610660482.db2.gz DYFYUVBKRMDRGG-KFWWJZLASA-N 1 2 332.404 0.581 20 30 ECEDLO N#Cc1cc(C(=O)N2CCCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)c[nH]1 ZINC000943342762 610810849 /nfs/dbraw/zinc/81/08/49/610810849.db2.gz NJXBFICOLODYAN-AWEZNQCLSA-N 1 2 340.387 0.894 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3nonc3C)C[C@H]2C)nn1 ZINC000943480657 610867614 /nfs/dbraw/zinc/86/76/14/610867614.db2.gz FJNQOJBUFSAJHE-DGCLKSJQSA-N 1 2 345.407 0.796 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3nonc3C)C[C@H]2C)nn1 ZINC000943480657 610867616 /nfs/dbraw/zinc/86/76/16/610867616.db2.gz FJNQOJBUFSAJHE-DGCLKSJQSA-N 1 2 345.407 0.796 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ncccn3)C[C@@H]2C)nn1 ZINC000943481976 610868810 /nfs/dbraw/zinc/86/88/10/610868810.db2.gz MRIJLMBUZASKRK-KBPBESRZSA-N 1 2 341.419 0.895 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ncccn3)C[C@@H]2C)nn1 ZINC000943481976 610868811 /nfs/dbraw/zinc/86/88/11/610868811.db2.gz MRIJLMBUZASKRK-KBPBESRZSA-N 1 2 341.419 0.895 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)Cc1c[nH+]cn1C)CC2 ZINC000944983584 610868986 /nfs/dbraw/zinc/86/89/86/610868986.db2.gz QFDFJEAKVTZNAC-CYBMUJFWSA-N 1 2 329.404 0.573 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cn(C)nn3)C[C@@H]2C)nn1 ZINC000943483191 610869239 /nfs/dbraw/zinc/86/92/39/610869239.db2.gz UZRQPYAGMJFWAC-JSGCOSHPSA-N 1 2 344.423 0.233 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nn3)C[C@@H]2C)nn1 ZINC000943483191 610869240 /nfs/dbraw/zinc/86/92/40/610869240.db2.gz UZRQPYAGMJFWAC-JSGCOSHPSA-N 1 2 344.423 0.233 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3nncn3C)C[C@@H]2C)nn1 ZINC000943483185 610869381 /nfs/dbraw/zinc/86/93/81/610869381.db2.gz UWUNEDJOPLEFHC-STQMWFEESA-N 1 2 344.423 0.233 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3nncn3C)C[C@@H]2C)nn1 ZINC000943483185 610869382 /nfs/dbraw/zinc/86/93/82/610869382.db2.gz UWUNEDJOPLEFHC-STQMWFEESA-N 1 2 344.423 0.233 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cnon3)C[C@@H]2C)nn1 ZINC000943499743 610884832 /nfs/dbraw/zinc/88/48/32/610884832.db2.gz UNSAQLBPNHKALT-JSGCOSHPSA-N 1 2 345.407 0.878 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cnon3)C[C@@H]2C)nn1 ZINC000943499743 610884834 /nfs/dbraw/zinc/88/48/34/610884834.db2.gz UNSAQLBPNHKALT-JSGCOSHPSA-N 1 2 345.407 0.878 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC000945029832 610886719 /nfs/dbraw/zinc/88/67/19/610886719.db2.gz CINHEERYFYQZPM-ZDUSSCGKSA-N 1 2 329.404 0.573 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ccn[nH]1 ZINC000943877343 611017276 /nfs/dbraw/zinc/01/72/76/611017276.db2.gz CKAYCWYQCWWSKI-HIFRSBDPSA-N 1 2 329.404 0.228 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)c1ccn[nH]1 ZINC000943877343 611017279 /nfs/dbraw/zinc/01/72/79/611017279.db2.gz CKAYCWYQCWWSKI-HIFRSBDPSA-N 1 2 329.404 0.228 20 30 ECEDLO Cn1cc(S(=O)(=O)NCC[N@H+](C)Cc2cc(C#N)cs2)cn1 ZINC000933778555 611748602 /nfs/dbraw/zinc/74/86/02/611748602.db2.gz QUQMQQDBSAZUJW-UHFFFAOYSA-N 1 2 339.446 0.764 20 30 ECEDLO Cn1cc(S(=O)(=O)NCC[N@@H+](C)Cc2cc(C#N)cs2)cn1 ZINC000933778555 611748605 /nfs/dbraw/zinc/74/86/05/611748605.db2.gz QUQMQQDBSAZUJW-UHFFFAOYSA-N 1 2 339.446 0.764 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nn3)[C@H](C)C2)cn1 ZINC000947948670 611752659 /nfs/dbraw/zinc/75/26/59/611752659.db2.gz PCTNJGMQVCIDLG-CJNGLKHVSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cn(C)nn3)[C@H](C)C2)cn1 ZINC000947948670 611752661 /nfs/dbraw/zinc/75/26/61/611752661.db2.gz PCTNJGMQVCIDLG-CJNGLKHVSA-N 1 2 338.415 0.974 20 30 ECEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCCN1C(N)=O ZINC000948989351 611789690 /nfs/dbraw/zinc/78/96/90/611789690.db2.gz DZLDVNCUDMMUGL-DLBZAZTESA-N 1 2 340.427 0.878 20 30 ECEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CCCN1C(N)=O ZINC000948989351 611789693 /nfs/dbraw/zinc/78/96/93/611789693.db2.gz DZLDVNCUDMMUGL-DLBZAZTESA-N 1 2 340.427 0.878 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCOC[C@@H]2CC2CCOCC2)CC1 ZINC000934640173 611811248 /nfs/dbraw/zinc/81/12/48/611811248.db2.gz BEYSDBVYKRYAMC-SFHVURJKSA-N 1 2 349.475 0.281 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCOC[C@@H]2CC2CCOCC2)CC1 ZINC000934640173 611811250 /nfs/dbraw/zinc/81/12/50/611811250.db2.gz BEYSDBVYKRYAMC-SFHVURJKSA-N 1 2 349.475 0.281 20 30 ECEDLO Cc1nonc1C[NH+]1CCC2(CC1)CN(C(=O)[C@@H](C)C#N)CCO2 ZINC000949052069 611829350 /nfs/dbraw/zinc/82/93/50/611829350.db2.gz VXHSDPUQTFACBV-LBPRGKRZSA-N 1 2 333.392 0.731 20 30 ECEDLO N#CCN1CCC2(CC1)CN(C(=O)[C@H]1CCc3[nH+]ccn3C1)CCO2 ZINC000949126031 611863245 /nfs/dbraw/zinc/86/32/45/611863245.db2.gz HOFMMORLVDEYLS-HNNXBMFYSA-N 1 2 343.431 0.662 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000950747223 611884340 /nfs/dbraw/zinc/88/43/40/611884340.db2.gz TWARCNHNSAPBHD-LSDHHAIUSA-N 1 2 326.400 0.576 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cc(C)[nH]n1 ZINC000950754176 611889308 /nfs/dbraw/zinc/88/93/08/611889308.db2.gz RSXRPXJAQSUJHE-ZFWWWQNUSA-N 1 2 329.404 0.146 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cc(C)[nH]n1 ZINC000950754176 611889309 /nfs/dbraw/zinc/88/93/09/611889309.db2.gz RSXRPXJAQSUJHE-ZFWWWQNUSA-N 1 2 329.404 0.146 20 30 ECEDLO O=C(C#CC1CC1)N1CCC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000950763821 611895948 /nfs/dbraw/zinc/89/59/48/611895948.db2.gz BTZANROMHJYHAD-CVEARBPZSA-N 1 2 340.427 0.966 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000949298030 611931089 /nfs/dbraw/zinc/93/10/89/611931089.db2.gz HTZMPMLCXYQTMA-RISCZKNCSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000949298030 611931092 /nfs/dbraw/zinc/93/10/92/611931092.db2.gz HTZMPMLCXYQTMA-RISCZKNCSA-N 1 2 340.387 0.819 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCc4nccn4C3)CC2)C1 ZINC000949401401 611965838 /nfs/dbraw/zinc/96/58/38/611965838.db2.gz BFBSNIFVABBUJT-MRXNPFEDSA-N 1 2 342.443 0.772 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCc4nccn4C3)CC2)C1 ZINC000949401401 611965841 /nfs/dbraw/zinc/96/58/41/611965841.db2.gz BFBSNIFVABBUJT-MRXNPFEDSA-N 1 2 342.443 0.772 20 30 ECEDLO CC#CCN1CC(N(CC)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000950965463 612002703 /nfs/dbraw/zinc/00/27/03/612002703.db2.gz DRMDJDXQIFNBNT-MSOLQXFVSA-N 1 2 349.475 0.422 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc4nncn4c3)CC2)C1 ZINC000949492443 612004775 /nfs/dbraw/zinc/00/47/75/612004775.db2.gz BYXPZRRCHMRHQE-UHFFFAOYSA-N 1 2 339.399 0.670 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccc4nncn4c3)CC2)C1 ZINC000949492443 612004777 /nfs/dbraw/zinc/00/47/77/612004777.db2.gz BYXPZRRCHMRHQE-UHFFFAOYSA-N 1 2 339.399 0.670 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CCC2(CC1)CN(CC#N)CCO2 ZINC000949519956 612018685 /nfs/dbraw/zinc/01/86/85/612018685.db2.gz CUYKJKLKIQEIDR-UHFFFAOYSA-N 1 2 331.420 0.570 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc(C(N)=O)cn3)CC2)C1 ZINC000949533671 612023759 /nfs/dbraw/zinc/02/37/59/612023759.db2.gz CSOOIVAMWZFOCQ-UHFFFAOYSA-N 1 2 342.399 0.121 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccc(C(N)=O)cn3)CC2)C1 ZINC000949533671 612023761 /nfs/dbraw/zinc/02/37/61/612023761.db2.gz CSOOIVAMWZFOCQ-UHFFFAOYSA-N 1 2 342.399 0.121 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CCN2C(=O)CCn2cc[nH+]c2)c1 ZINC000952014742 612177048 /nfs/dbraw/zinc/17/70/48/612177048.db2.gz SZKMIOXKRQGFFT-MRXNPFEDSA-N 1 2 337.383 0.680 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)CCc2c[nH]c[nH+]2)cn1 ZINC000951386338 612199067 /nfs/dbraw/zinc/19/90/67/612199067.db2.gz ZJMCZDGABJZCGR-MRXNPFEDSA-N 1 2 337.383 0.750 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)CCc2c[nH+]c[nH]2)cn1 ZINC000951386338 612199070 /nfs/dbraw/zinc/19/90/70/612199070.db2.gz ZJMCZDGABJZCGR-MRXNPFEDSA-N 1 2 337.383 0.750 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000951413954 612214669 /nfs/dbraw/zinc/21/46/69/612214669.db2.gz QBJPDZHENHCKQG-CYBMUJFWSA-N 1 2 340.387 0.583 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC000952151658 612251002 /nfs/dbraw/zinc/25/10/02/612251002.db2.gz QAOXRYURICEIAE-HNNXBMFYSA-N 1 2 337.383 0.750 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000952178241 612265698 /nfs/dbraw/zinc/26/56/98/612265698.db2.gz YEQYOLRIQFAKJM-ZNMIVQPWSA-N 1 2 332.404 0.651 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000952178241 612265700 /nfs/dbraw/zinc/26/57/00/612265700.db2.gz YEQYOLRIQFAKJM-ZNMIVQPWSA-N 1 2 332.404 0.651 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)nc1 ZINC000951491343 612268186 /nfs/dbraw/zinc/26/81/86/612268186.db2.gz CGAJHZDTFVVGDM-HNNXBMFYSA-N 1 2 337.383 0.680 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[NH+](Cc3ccc(CO)cc3)CC2)nn1 ZINC000951559615 612344055 /nfs/dbraw/zinc/34/40/55/612344055.db2.gz FMYULRZWFHAZSN-UHFFFAOYSA-N 1 2 341.415 0.914 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C(F)C(F)(F)F)C1 ZINC000954631303 612469728 /nfs/dbraw/zinc/46/97/28/612469728.db2.gz VOAWHEGBIBSLKQ-NWDGAFQWSA-N 1 2 349.328 0.654 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C(F)C(F)(F)F)C1 ZINC000954631303 612469729 /nfs/dbraw/zinc/46/97/29/612469729.db2.gz VOAWHEGBIBSLKQ-NWDGAFQWSA-N 1 2 349.328 0.654 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cn1 ZINC000954640249 612481025 /nfs/dbraw/zinc/48/10/25/612481025.db2.gz FWURUXRJLZYRGM-HZPDHXFCSA-N 1 2 349.394 0.873 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cn1 ZINC000954640249 612481028 /nfs/dbraw/zinc/48/10/28/612481028.db2.gz FWURUXRJLZYRGM-HZPDHXFCSA-N 1 2 349.394 0.873 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000954660035 612504101 /nfs/dbraw/zinc/50/41/01/612504101.db2.gz TWDZJXOJEDLEMD-UHFFFAOYSA-N 1 2 336.395 0.776 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000951817480 612660269 /nfs/dbraw/zinc/66/02/69/612660269.db2.gz VKLTXGCYPITJRZ-MCIONIFRSA-N 1 2 332.404 0.651 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000954106809 612669127 /nfs/dbraw/zinc/66/91/27/612669127.db2.gz JQONEXYDQGMUSO-UHFFFAOYSA-N 1 2 340.387 0.535 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ncccc2O)C1 ZINC000954128165 612694252 /nfs/dbraw/zinc/69/42/52/612694252.db2.gz VOYKHDVPGBNSNA-AWEZNQCLSA-N 1 2 342.399 0.168 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2ncccc2O)C1 ZINC000954128165 612694255 /nfs/dbraw/zinc/69/42/55/612694255.db2.gz VOYKHDVPGBNSNA-AWEZNQCLSA-N 1 2 342.399 0.168 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)CCn3cc[nH+]c3)C2)cn1 ZINC000954913400 612782949 /nfs/dbraw/zinc/78/29/49/612782949.db2.gz TYHSIDZYLPVYMK-UHFFFAOYSA-N 1 2 337.383 0.633 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000955072976 612882356 /nfs/dbraw/zinc/88/23/56/612882356.db2.gz ZBAFZAAPJWGNQI-CZUORRHYSA-N 1 2 348.447 0.459 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000955072976 612882357 /nfs/dbraw/zinc/88/23/57/612882357.db2.gz ZBAFZAAPJWGNQI-CZUORRHYSA-N 1 2 348.447 0.459 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000954382053 612885351 /nfs/dbraw/zinc/88/53/51/612885351.db2.gz DQUIQNYQLFMZQX-RDJZCZTQSA-N 1 2 346.431 0.924 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000954404644 612893839 /nfs/dbraw/zinc/89/38/39/612893839.db2.gz KSZYDEKBUBOIGS-CABCVRRESA-N 1 2 332.404 0.534 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3CCOC3)CC2)C1 ZINC000956589535 612920294 /nfs/dbraw/zinc/92/02/94/612920294.db2.gz XFKUPNZRSBDQSP-HZPDHXFCSA-N 1 2 349.475 0.980 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)C2)C1 ZINC000972394444 736115032 /nfs/dbraw/zinc/11/50/32/736115032.db2.gz HVDYNRNDLGGSMJ-CRAIPNDOSA-N 1 2 333.432 0.180 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)C2)C1 ZINC000972394444 736115035 /nfs/dbraw/zinc/11/50/35/736115035.db2.gz HVDYNRNDLGGSMJ-CRAIPNDOSA-N 1 2 333.432 0.180 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)Oc3cccnc3)[C@H]2C1 ZINC001083188114 731764308 /nfs/dbraw/zinc/76/43/08/731764308.db2.gz DZUVUWSWSHUONZ-HYVNUMGLSA-N 1 2 329.400 0.784 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)Oc3cccnc3)[C@H]2C1 ZINC001083188114 731764311 /nfs/dbraw/zinc/76/43/11/731764311.db2.gz DZUVUWSWSHUONZ-HYVNUMGLSA-N 1 2 329.400 0.784 20 30 ECEDLO CN(C[C@H](O)CN(C)c1ccc(C#N)nc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001125299403 731913626 /nfs/dbraw/zinc/91/36/26/731913626.db2.gz NENPZVDUFHGETD-OAHLLOKOSA-N 1 2 328.376 0.175 20 30 ECEDLO CCOCC(=O)N1CC[C@H]([NH+]2CCN(c3nccnc3C#N)CC2)C1 ZINC001111963843 738557254 /nfs/dbraw/zinc/55/72/54/738557254.db2.gz YBTGAAIPDQRDSR-AWEZNQCLSA-N 1 2 344.419 0.108 20 30 ECEDLO CC(=O)Nc1nc(C[NH2+]CCNC(=O)c2cc(C#N)c[nH]2)cs1 ZINC001125370061 733178041 /nfs/dbraw/zinc/17/80/41/733178041.db2.gz HFCHCWCUYPJJOO-UHFFFAOYSA-N 1 2 332.389 0.821 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3csnn3)C2)nn1 ZINC000970223849 733234560 /nfs/dbraw/zinc/23/45/60/733234560.db2.gz CMEAOYXSRBVCSZ-LLVKDONJSA-N 1 2 333.421 0.710 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC000970456850 733557303 /nfs/dbraw/zinc/55/73/03/733557303.db2.gz GJCHXTXJIHNJSF-RYUDHWBXSA-N 1 2 338.843 0.815 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(-c4ccco4)n[nH]3)[C@H]2C1 ZINC001083202931 733700682 /nfs/dbraw/zinc/70/06/82/733700682.db2.gz SCQONCDYXRPAKB-GOEBONIOSA-N 1 2 326.356 0.828 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(-c4ccco4)n[nH]3)[C@H]2C1 ZINC001083202931 733700685 /nfs/dbraw/zinc/70/06/85/733700685.db2.gz SCQONCDYXRPAKB-GOEBONIOSA-N 1 2 326.356 0.828 20 30 ECEDLO COc1ccc(C[NH+]2CC([C@H](C)NC(=O)c3nnc[nH]3)C2)cc1C#N ZINC000970609422 733736828 /nfs/dbraw/zinc/73/68/28/733736828.db2.gz XEHUEICCJTVDHD-NSHDSACASA-N 1 2 340.387 0.935 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H](C)C1C[NH+](CC(=O)NC)C1 ZINC000970712705 733860512 /nfs/dbraw/zinc/86/05/12/733860512.db2.gz BSZKGOFQKRJAQN-GFCCVEGCSA-N 1 2 332.404 0.443 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC000970902158 734061609 /nfs/dbraw/zinc/06/16/09/734061609.db2.gz QQYGZRDMVMGZHC-FZMZJTMJSA-N 1 2 329.828 0.423 20 30 ECEDLO CC(C)N(CCN(C)c1ccc(C#N)nn1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125439967 734080051 /nfs/dbraw/zinc/08/00/51/734080051.db2.gz YOIFVHQTKCPJHM-OAHLLOKOSA-N 1 2 346.435 0.352 20 30 ECEDLO CC(C)N(CCN(C)c1ccc(C#N)nn1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125439967 734080054 /nfs/dbraw/zinc/08/00/54/734080054.db2.gz YOIFVHQTKCPJHM-OAHLLOKOSA-N 1 2 346.435 0.352 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC000971119154 734282267 /nfs/dbraw/zinc/28/22/67/734282267.db2.gz CSBXTAQKAHFFPF-VXGBXAGGSA-N 1 2 333.226 0.843 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC000971119154 734282268 /nfs/dbraw/zinc/28/22/68/734282268.db2.gz CSBXTAQKAHFFPF-VXGBXAGGSA-N 1 2 333.226 0.843 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000971205906 734358407 /nfs/dbraw/zinc/35/84/07/734358407.db2.gz YKUKQFAYEDQSSM-WDEREUQCSA-N 1 2 330.226 0.706 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000971205906 734358411 /nfs/dbraw/zinc/35/84/11/734358411.db2.gz YKUKQFAYEDQSSM-WDEREUQCSA-N 1 2 330.226 0.706 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC000971214143 734364845 /nfs/dbraw/zinc/36/48/45/734364845.db2.gz PMQVKFNYLHXDMP-DZGCQCFKSA-N 1 2 331.420 0.651 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC000971214143 734364848 /nfs/dbraw/zinc/36/48/48/734364848.db2.gz PMQVKFNYLHXDMP-DZGCQCFKSA-N 1 2 331.420 0.651 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([N@H+](C)Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000971219958 734370547 /nfs/dbraw/zinc/37/05/47/734370547.db2.gz ACKHSSNQXPQZID-AAEUAGOBSA-N 1 2 328.376 0.215 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000971219958 734370550 /nfs/dbraw/zinc/37/05/50/734370550.db2.gz ACKHSSNQXPQZID-AAEUAGOBSA-N 1 2 328.376 0.215 20 30 ECEDLO CC(C)(C(=O)N(CCO)CCNc1ccc(C#N)nc1)c1c[nH+]c[nH]1 ZINC001111488999 734401002 /nfs/dbraw/zinc/40/10/02/734401002.db2.gz DMYCSVHOPOLLAG-UHFFFAOYSA-N 1 2 342.403 0.887 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CCC(C)CC3)[C@H]2C1 ZINC001083216083 734455813 /nfs/dbraw/zinc/45/58/13/734455813.db2.gz HIVHWOHEZIVMLI-JKSUJKDBSA-N 1 2 333.432 0.180 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CCC(C)CC3)[C@H]2C1 ZINC001083216083 734455815 /nfs/dbraw/zinc/45/58/15/734455815.db2.gz HIVHWOHEZIVMLI-JKSUJKDBSA-N 1 2 333.432 0.180 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)Cc3nc(=O)n(C)[nH]3)C2)cc1 ZINC000972059861 735593449 /nfs/dbraw/zinc/59/34/49/735593449.db2.gz XMYPJBBZUPLGHW-HNNXBMFYSA-N 1 2 339.399 0.436 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)Cc3nc(=O)n(C)[nH]3)C2)cc1 ZINC000972059861 735593450 /nfs/dbraw/zinc/59/34/50/735593450.db2.gz XMYPJBBZUPLGHW-HNNXBMFYSA-N 1 2 339.399 0.436 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2occ3c2CCOC3)[C@@H](n2ccnn2)C1 ZINC001069989266 790283693 /nfs/dbraw/zinc/28/36/93/790283693.db2.gz JAUPWSGYYUSEMY-CABCVRRESA-N 1 2 343.387 0.785 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2occ3c2CCOC3)[C@@H](n2ccnn2)C1 ZINC001069989266 790283695 /nfs/dbraw/zinc/28/36/95/790283695.db2.gz JAUPWSGYYUSEMY-CABCVRRESA-N 1 2 343.387 0.785 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972206985 735786427 /nfs/dbraw/zinc/78/64/27/735786427.db2.gz MLVPVEKVIICSDG-ZJUUUORDSA-N 1 2 331.214 0.109 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972206985 735786430 /nfs/dbraw/zinc/78/64/30/735786430.db2.gz MLVPVEKVIICSDG-ZJUUUORDSA-N 1 2 331.214 0.109 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)Cn3ccc(C)n3)C2)C1 ZINC000972394215 736114156 /nfs/dbraw/zinc/11/41/56/736114156.db2.gz AOCGCWFGWCBOTM-QAPCUYQASA-N 1 2 330.432 0.764 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)Cn3ccc(C)n3)C2)C1 ZINC000972394215 736114159 /nfs/dbraw/zinc/11/41/59/736114159.db2.gz AOCGCWFGWCBOTM-QAPCUYQASA-N 1 2 330.432 0.764 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc4c([nH]3)CCOC4)C2)C1 ZINC000972410084 736142811 /nfs/dbraw/zinc/14/28/11/736142811.db2.gz RCYRYVQGMOVJTK-GOSISDBHSA-N 1 2 329.400 0.638 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc4c([nH]3)CCOC4)C2)C1 ZINC000972410084 736142814 /nfs/dbraw/zinc/14/28/14/736142814.db2.gz RCYRYVQGMOVJTK-GOSISDBHSA-N 1 2 329.400 0.638 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4cncn4C3)C2)C1 ZINC000972441917 736205382 /nfs/dbraw/zinc/20/53/82/736205382.db2.gz WLVNGRLFHXODIL-CRAIPNDOSA-N 1 2 330.432 0.935 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4cncn4C3)C2)C1 ZINC000972441917 736205384 /nfs/dbraw/zinc/20/53/84/736205384.db2.gz WLVNGRLFHXODIL-CRAIPNDOSA-N 1 2 330.432 0.935 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nccn4C3)C2)C1 ZINC000972442060 736205622 /nfs/dbraw/zinc/20/56/22/736205622.db2.gz YGROFXFOPLKINK-YJBOKZPZSA-N 1 2 330.432 0.935 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nccn4C3)C2)C1 ZINC000972442060 736205623 /nfs/dbraw/zinc/20/56/23/736205623.db2.gz YGROFXFOPLKINK-YJBOKZPZSA-N 1 2 330.432 0.935 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3c(C)nc[nH]c3=O)C2)C1 ZINC000972450358 736232003 /nfs/dbraw/zinc/23/20/03/736232003.db2.gz STYVDABUVRQOII-GOSISDBHSA-N 1 2 344.415 0.360 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)COc3cc(F)ccc3F)[C@H]2C1 ZINC001083254644 736304284 /nfs/dbraw/zinc/30/42/84/736304284.db2.gz DHPBWHSVBRACEE-GOEBONIOSA-N 1 2 336.338 0.888 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)COc3cc(F)ccc3F)[C@H]2C1 ZINC001083254644 736304290 /nfs/dbraw/zinc/30/42/90/736304290.db2.gz DHPBWHSVBRACEE-GOEBONIOSA-N 1 2 336.338 0.888 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H](C)OC2(CC[NH+](Cc3cnon3)CC2)C1 ZINC001098574300 736400402 /nfs/dbraw/zinc/40/04/02/736400402.db2.gz HESBYFPNZZBENC-CHWSQXEVSA-N 1 2 333.392 0.811 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H](C)OC2(CC[NH+](Cc3cn(C)nn3)CC2)C1 ZINC001098574522 736409391 /nfs/dbraw/zinc/40/93/91/736409391.db2.gz NBBMKQTXTPPRRL-KBPBESRZSA-N 1 2 346.435 0.557 20 30 ECEDLO Cc1nc(N(C)C)nc(NC[C@@H](C)N(C)C(=O)CSCC#N)[nH+]1 ZINC001104463862 736434361 /nfs/dbraw/zinc/43/43/61/736434361.db2.gz HKMWTUVJLJBQPX-SNVBAGLBSA-N 1 2 337.453 0.762 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c(=O)cc3OC)C2)C1 ZINC000972555859 736744385 /nfs/dbraw/zinc/74/43/85/736744385.db2.gz AARFEQGLKUUNCD-SFHVURJKSA-N 1 2 345.399 0.736 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c(=O)cc3OC)C2)C1 ZINC000972555859 736744389 /nfs/dbraw/zinc/74/43/89/736744389.db2.gz AARFEQGLKUUNCD-SFHVURJKSA-N 1 2 345.399 0.736 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c(=O)cc3OC)C2)C1 ZINC000972555920 736745056 /nfs/dbraw/zinc/74/50/56/736745056.db2.gz BHUPPHOYUJWDHU-KRWDZBQOSA-N 1 2 331.372 0.346 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c(=O)cc3OC)C2)C1 ZINC000972555920 736745058 /nfs/dbraw/zinc/74/50/58/736745058.db2.gz BHUPPHOYUJWDHU-KRWDZBQOSA-N 1 2 331.372 0.346 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(C4CC4)[nH]c3=O)C2)C1 ZINC000972581590 736936521 /nfs/dbraw/zinc/93/65/21/736936521.db2.gz BGBGDQPAASKPIK-SFHVURJKSA-N 1 2 342.399 0.610 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(C4CC4)[nH]c3=O)C2)C1 ZINC000972581590 736936524 /nfs/dbraw/zinc/93/65/24/736936524.db2.gz BGBGDQPAASKPIK-SFHVURJKSA-N 1 2 342.399 0.610 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN3C(=O)C3CC3)C2)C1 ZINC000972585869 736974561 /nfs/dbraw/zinc/97/45/61/736974561.db2.gz RRUROBBDFWVSOI-LPHOPBHVSA-N 1 2 345.443 0.324 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN3C(=O)C3CC3)C2)C1 ZINC000972585869 736974564 /nfs/dbraw/zinc/97/45/64/736974564.db2.gz RRUROBBDFWVSOI-LPHOPBHVSA-N 1 2 345.443 0.324 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC000972608148 737087694 /nfs/dbraw/zinc/08/76/94/737087694.db2.gz SCFTUZQTNBTKDG-NSHDSACASA-N 1 2 343.229 0.505 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC000972608148 737087699 /nfs/dbraw/zinc/08/76/99/737087699.db2.gz SCFTUZQTNBTKDG-NSHDSACASA-N 1 2 343.229 0.505 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3cnns3)C2)nn1 ZINC001023638003 737125411 /nfs/dbraw/zinc/12/54/11/737125411.db2.gz WMZOEALRNGMVEP-GFCCVEGCSA-N 1 2 347.448 0.958 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cnns3)C2)nn1 ZINC001023638003 737125414 /nfs/dbraw/zinc/12/54/14/737125414.db2.gz WMZOEALRNGMVEP-GFCCVEGCSA-N 1 2 347.448 0.958 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(N4CCOCC4)CCC3)C2)C1 ZINC000972621799 737126742 /nfs/dbraw/zinc/12/67/42/737126742.db2.gz OXCTYBMDAGECEN-SFHVURJKSA-N 1 2 349.475 0.731 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(N4CCOCC4)CCC3)C2)C1 ZINC000972621799 737126744 /nfs/dbraw/zinc/12/67/44/737126744.db2.gz OXCTYBMDAGECEN-SFHVURJKSA-N 1 2 349.475 0.731 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCCN(C)C3=O)C2)C1 ZINC000972633922 737179763 /nfs/dbraw/zinc/17/97/63/737179763.db2.gz IXPHLYBTCMTLPI-MAUKXSAKSA-N 1 2 335.448 0.734 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCCN(C)C3=O)C2)C1 ZINC000972633922 737179765 /nfs/dbraw/zinc/17/97/65/737179765.db2.gz IXPHLYBTCMTLPI-MAUKXSAKSA-N 1 2 335.448 0.734 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCN3C(N)=O)C2)C1 ZINC000972634576 737181714 /nfs/dbraw/zinc/18/17/14/737181714.db2.gz MUYBIFDMDPYFDJ-PBHICJAKSA-N 1 2 336.436 0.409 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCN3C(N)=O)C2)C1 ZINC000972634576 737181716 /nfs/dbraw/zinc/18/17/16/737181716.db2.gz MUYBIFDMDPYFDJ-PBHICJAKSA-N 1 2 336.436 0.409 20 30 ECEDLO N#Cc1ccc(NCCN(CCO)C(=O)CCCn2cc[nH+]c2)nn1 ZINC001111484429 737301023 /nfs/dbraw/zinc/30/10/23/737301023.db2.gz ADYRQLYOEGRFJE-UHFFFAOYSA-N 1 2 343.391 0.258 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC)N3CCCC3=O)C2)C1 ZINC000972675383 737346941 /nfs/dbraw/zinc/34/69/41/737346941.db2.gz XLBYMJDKWRVCEB-QAPCUYQASA-N 1 2 335.448 0.877 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC)N3CCCC3=O)C2)C1 ZINC000972675383 737346944 /nfs/dbraw/zinc/34/69/44/737346944.db2.gz XLBYMJDKWRVCEB-QAPCUYQASA-N 1 2 335.448 0.877 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3ccccc3=O)C2)C1 ZINC000972679022 737361104 /nfs/dbraw/zinc/36/11/04/737361104.db2.gz YUIUIVKBHAJFHQ-GOSISDBHSA-N 1 2 329.400 0.175 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3ccccc3=O)C2)C1 ZINC000972679022 737361109 /nfs/dbraw/zinc/36/11/09/737361109.db2.gz YUIUIVKBHAJFHQ-GOSISDBHSA-N 1 2 329.400 0.175 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C3CC3)N3CCOCC3)C2)C1 ZINC000972685748 737377383 /nfs/dbraw/zinc/37/73/83/737377383.db2.gz SVPQERNAWQRBAC-HKUYNNGSSA-N 1 2 349.475 0.587 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C3CC3)N3CCOCC3)C2)C1 ZINC000972685748 737377385 /nfs/dbraw/zinc/37/73/85/737377385.db2.gz SVPQERNAWQRBAC-HKUYNNGSSA-N 1 2 349.475 0.587 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(=O)n(CCCC)n3)[C@H]2C1 ZINC001083271438 738241447 /nfs/dbraw/zinc/24/14/47/738241447.db2.gz JDGXNFVPWUXTTH-JKSUJKDBSA-N 1 2 344.415 0.202 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(=O)n(CCCC)n3)[C@H]2C1 ZINC001083271438 738241450 /nfs/dbraw/zinc/24/14/50/738241450.db2.gz JDGXNFVPWUXTTH-JKSUJKDBSA-N 1 2 344.415 0.202 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)[C@H]2C1 ZINC001083271591 738249614 /nfs/dbraw/zinc/24/96/14/738249614.db2.gz QXENCXAJKMXLTR-BHYGNILZSA-N 1 2 345.443 0.322 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)[C@H]2C1 ZINC001083271591 738249617 /nfs/dbraw/zinc/24/96/17/738249617.db2.gz QXENCXAJKMXLTR-BHYGNILZSA-N 1 2 345.443 0.322 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cnnn2C)nc1 ZINC001024763431 738275688 /nfs/dbraw/zinc/27/56/88/738275688.db2.gz FZTQKBPCGFZORN-OAHLLOKOSA-N 1 2 338.415 0.976 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cnnn2C)nc1 ZINC001024763431 738275690 /nfs/dbraw/zinc/27/56/90/738275690.db2.gz FZTQKBPCGFZORN-OAHLLOKOSA-N 1 2 338.415 0.976 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001024785989 738293293 /nfs/dbraw/zinc/29/32/93/738293293.db2.gz VIZPDQLEHGUTFL-HUUCEWRRSA-N 1 2 343.855 0.957 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001024785989 738293296 /nfs/dbraw/zinc/29/32/96/738293296.db2.gz VIZPDQLEHGUTFL-HUUCEWRRSA-N 1 2 343.855 0.957 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1COCCN1C(C)=O ZINC001024806170 738311333 /nfs/dbraw/zinc/31/13/33/738311333.db2.gz GSWKMLSASJQRLQ-GJZGRUSLSA-N 1 2 343.855 0.957 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1COCCN1C(C)=O ZINC001024806170 738311336 /nfs/dbraw/zinc/31/13/36/738311336.db2.gz GSWKMLSASJQRLQ-GJZGRUSLSA-N 1 2 343.855 0.957 20 30 ECEDLO CC(C)C#CC(=O)N1CCO[C@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC001111945905 738372020 /nfs/dbraw/zinc/37/20/20/738372020.db2.gz XSDOPIGYWOGNKZ-CYBMUJFWSA-N 1 2 342.403 0.662 20 30 ECEDLO C[C@@H](CNc1ccnc(C#N)n1)N(C)C(=O)CCc1c[nH+]cn1C ZINC001104642146 739351003 /nfs/dbraw/zinc/35/10/03/739351003.db2.gz TXYUAIRDAONGHB-LBPRGKRZSA-N 1 2 327.392 0.395 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCN(C(=O)CCC)C3)[C@H]2C1 ZINC001083282243 739581802 /nfs/dbraw/zinc/58/18/02/739581802.db2.gz VGMRLSNWDAKCPF-YESZJQIVSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCN(C(=O)CCC)C3)[C@H]2C1 ZINC001083282243 739581807 /nfs/dbraw/zinc/58/18/07/739581807.db2.gz VGMRLSNWDAKCPF-YESZJQIVSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(C)nn(C)c4n3)[C@H]2C1 ZINC001083284893 739805264 /nfs/dbraw/zinc/80/52/64/739805264.db2.gz VRGJGCXEENHLNW-JKSUJKDBSA-N 1 2 339.399 0.435 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(C)nn(C)c4n3)[C@H]2C1 ZINC001083284893 739805268 /nfs/dbraw/zinc/80/52/68/739805268.db2.gz VRGJGCXEENHLNW-JKSUJKDBSA-N 1 2 339.399 0.435 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3nncn3C)C[C@H]21 ZINC001025790818 739953801 /nfs/dbraw/zinc/95/38/01/739953801.db2.gz RKVLDHZHGHYLEN-XBORSJSESA-N 1 2 345.447 0.904 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3nncn3C)C[C@H]21 ZINC001025790818 739953803 /nfs/dbraw/zinc/95/38/03/739953803.db2.gz RKVLDHZHGHYLEN-XBORSJSESA-N 1 2 345.447 0.904 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)n3nc(C)cc3C)[C@H]2C1 ZINC001083289216 740316248 /nfs/dbraw/zinc/31/62/48/740316248.db2.gz ZELUWKIXLNFNBH-IXDOHACOSA-N 1 2 330.432 0.996 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)n3nc(C)cc3C)[C@H]2C1 ZINC001083289216 740316252 /nfs/dbraw/zinc/31/62/52/740316252.db2.gz ZELUWKIXLNFNBH-IXDOHACOSA-N 1 2 330.432 0.996 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc4nnn(C)c43)[C@H]2C1 ZINC001083294226 740968432 /nfs/dbraw/zinc/96/84/32/740968432.db2.gz RZRJSPPMNXDJNG-LSDHHAIUSA-N 1 2 325.372 0.127 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc4nnn(C)c43)[C@H]2C1 ZINC001083294226 740968434 /nfs/dbraw/zinc/96/84/34/740968434.db2.gz RZRJSPPMNXDJNG-LSDHHAIUSA-N 1 2 325.372 0.127 20 30 ECEDLO CN(C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)c1ccnc(C#N)n1 ZINC001058705978 740978458 /nfs/dbraw/zinc/97/84/58/740978458.db2.gz QOZRXBWGPYDWIS-ZDUSSCGKSA-N 1 2 339.403 0.989 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CCN1c1cnc(C#N)cn1 ZINC001067541914 741033234 /nfs/dbraw/zinc/03/32/34/741033234.db2.gz FQFBDUNZQCDMTQ-QWHCGFSZSA-N 1 2 339.403 0.798 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC3(C)C)C2)nn1 ZINC001105213868 741477545 /nfs/dbraw/zinc/47/75/45/741477545.db2.gz RDFUFFOXEAOQIB-CQSZACIVSA-N 1 2 346.435 0.099 20 30 ECEDLO C#CCCCCC(=O)N1CC(n2cc(C[NH2+][C@@H](CC)C(N)=O)nn2)C1 ZINC001105219655 741484628 /nfs/dbraw/zinc/48/46/28/741484628.db2.gz JSSZLIOLEJXZIZ-HNNXBMFYSA-N 1 2 346.435 0.209 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCOCC3)C2)nn1 ZINC001105223670 741500497 /nfs/dbraw/zinc/50/04/97/741500497.db2.gz CYSMYHLODUAZLT-AWEZNQCLSA-N 1 2 331.420 0.591 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCOCC(F)F)C2)nn1 ZINC001105240472 741531789 /nfs/dbraw/zinc/53/17/89/741531789.db2.gz OKNCZWWMWBHMRM-UHFFFAOYSA-N 1 2 341.362 0.446 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C(F)F)nn3C)C2)nn1 ZINC001105280930 741636191 /nfs/dbraw/zinc/63/61/91/741636191.db2.gz LLRKRXDKRJWUAG-UHFFFAOYSA-N 1 2 349.345 0.369 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CC[C@H](C4CC4)O3)C2)nn1 ZINC001105288134 741648628 /nfs/dbraw/zinc/64/86/28/741648628.db2.gz GAKITKRZBKYWPQ-IAGOWNOFSA-N 1 2 343.431 0.732 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3sc(C)nc3C)C2)nn1 ZINC001105288826 741649653 /nfs/dbraw/zinc/64/96/53/741649653.db2.gz VTGHAEKGSQKYMV-UHFFFAOYSA-N 1 2 344.444 0.700 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)CC(F)(F)F)C2)nn1 ZINC001105289445 741653113 /nfs/dbraw/zinc/65/31/13/741653113.db2.gz DQVWVOWETFMPBT-SNVBAGLBSA-N 1 2 329.326 0.973 20 30 ECEDLO CC#CCNCc1cn(C2CN(C(=O)CCn3cc[nH+]c3)C2)nn1 ZINC001105294997 741666552 /nfs/dbraw/zinc/66/65/52/741666552.db2.gz TUHYFGFVYYWDHL-UHFFFAOYSA-N 1 2 327.392 0.061 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C4CC4)on3)C2)nn1 ZINC001105295068 741667422 /nfs/dbraw/zinc/66/74/22/741667422.db2.gz XHXPQHCIFHZYQB-UHFFFAOYSA-N 1 2 340.387 0.954 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC(n2cc(C[NH2+][C@@H](CC)C(N)=O)nn2)C1 ZINC001105309781 741718488 /nfs/dbraw/zinc/71/84/88/741718488.db2.gz BZNBYHSCQBNHMJ-WFASDCNBSA-N 1 2 348.451 0.617 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3c[nH]c4cnccc34)C2)nn1 ZINC001105312163 741721259 /nfs/dbraw/zinc/72/12/59/741721259.db2.gz DOLQGLWLXXXTMJ-UHFFFAOYSA-N 1 2 349.398 0.503 20 30 ECEDLO CC(C)(C)[C@H](CNc1ccnc(C#N)n1)NC(=O)Cn1cc[nH+]c1 ZINC001125943219 741723395 /nfs/dbraw/zinc/72/33/95/741723395.db2.gz WWXJVEIXZHXAOY-LBPRGKRZSA-N 1 2 327.392 0.610 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3csc(C)n3)C2)nn1 ZINC001105312503 741730054 /nfs/dbraw/zinc/73/00/54/741730054.db2.gz OWJDLSRKLXUOHS-UHFFFAOYSA-N 1 2 330.417 0.853 20 30 ECEDLO CC[C@H](C)C(=O)N1CC[C@@H](n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001098622121 741766780 /nfs/dbraw/zinc/76/67/80/741766780.db2.gz AVSBTRBOPUVBDX-GOEBONIOSA-N 1 2 333.436 0.837 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H](C)C(F)(F)F)C2)nn1 ZINC001105318489 741767491 /nfs/dbraw/zinc/76/74/91/741767491.db2.gz BOBKGJMLODZELJ-SNVBAGLBSA-N 1 2 329.326 0.973 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)[C@H]3CCCO3)C2)nn1 ZINC001105322665 741782261 /nfs/dbraw/zinc/78/22/61/741782261.db2.gz ZDBMMHKMAZGUSY-XJKSGUPXSA-N 1 2 331.420 0.589 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)Oc3cccnc3)C2)nn1 ZINC001105325725 741796619 /nfs/dbraw/zinc/79/66/19/741796619.db2.gz YZGTYVSPEXUKSQ-CYBMUJFWSA-N 1 2 340.387 0.247 20 30 ECEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3cnnn3)C2)ccc1F ZINC001006687230 751675325 /nfs/dbraw/zinc/67/53/25/751675325.db2.gz XNFLPIKQIMLOSU-CQSZACIVSA-N 1 2 343.366 0.465 20 30 ECEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)Cn3cnnn3)C2)ccc1F ZINC001006687230 751675329 /nfs/dbraw/zinc/67/53/29/751675329.db2.gz XNFLPIKQIMLOSU-CQSZACIVSA-N 1 2 343.366 0.465 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2cnns2)CC1(C)C ZINC000974687585 742005021 /nfs/dbraw/zinc/00/50/21/742005021.db2.gz VFBQVRMVMCTHOF-GJZGRUSLSA-N 1 2 347.488 0.962 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2cnns2)CC1(C)C ZINC000974687585 742005026 /nfs/dbraw/zinc/00/50/26/742005026.db2.gz VFBQVRMVMCTHOF-GJZGRUSLSA-N 1 2 347.488 0.962 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nc(C)no2)C1 ZINC001026894092 742039835 /nfs/dbraw/zinc/03/98/35/742039835.db2.gz VSQXPOFRXVYRQW-CABCVRRESA-N 1 2 331.420 0.414 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3cn[nH]n3)C(C)(C)C2)C1=O ZINC000974780574 742180954 /nfs/dbraw/zinc/18/09/54/742180954.db2.gz BXHDHQGTISKKKE-QWHCGFSZSA-N 1 2 332.408 0.032 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3cn[nH]n3)C(C)(C)C2)C1=O ZINC000974780574 742180958 /nfs/dbraw/zinc/18/09/58/742180958.db2.gz BXHDHQGTISKKKE-QWHCGFSZSA-N 1 2 332.408 0.032 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3cnn[nH]3)C(C)(C)C2)C1=O ZINC000974780574 742180962 /nfs/dbraw/zinc/18/09/62/742180962.db2.gz BXHDHQGTISKKKE-QWHCGFSZSA-N 1 2 332.408 0.032 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3cnn[nH]3)C(C)(C)C2)C1=O ZINC000974780574 742180965 /nfs/dbraw/zinc/18/09/65/742180965.db2.gz BXHDHQGTISKKKE-QWHCGFSZSA-N 1 2 332.408 0.032 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3cn[nH]n3)C(C)(C)C2)C1=O ZINC000974780565 742181186 /nfs/dbraw/zinc/18/11/86/742181186.db2.gz BXHDHQGTISKKKE-OLZOCXBDSA-N 1 2 332.408 0.032 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3cn[nH]n3)C(C)(C)C2)C1=O ZINC000974780565 742181187 /nfs/dbraw/zinc/18/11/87/742181187.db2.gz BXHDHQGTISKKKE-OLZOCXBDSA-N 1 2 332.408 0.032 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3cnn[nH]3)C(C)(C)C2)C1=O ZINC000974780565 742181188 /nfs/dbraw/zinc/18/11/88/742181188.db2.gz BXHDHQGTISKKKE-OLZOCXBDSA-N 1 2 332.408 0.032 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3cnn[nH]3)C(C)(C)C2)C1=O ZINC000974780565 742181191 /nfs/dbraw/zinc/18/11/91/742181191.db2.gz BXHDHQGTISKKKE-OLZOCXBDSA-N 1 2 332.408 0.032 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000975558296 743071796 /nfs/dbraw/zinc/07/17/96/743071796.db2.gz NDJCZNWIWYCCCP-IMJJTQAJSA-N 1 2 346.431 0.898 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)nc1 ZINC000997093615 743226238 /nfs/dbraw/zinc/22/62/38/743226238.db2.gz PQODXBJRQZWVHZ-GFCCVEGCSA-N 1 2 337.383 0.605 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)nc1 ZINC000997093615 743226243 /nfs/dbraw/zinc/22/62/43/743226243.db2.gz PQODXBJRQZWVHZ-GFCCVEGCSA-N 1 2 337.383 0.605 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC000975873960 743355971 /nfs/dbraw/zinc/35/59/71/743355971.db2.gz YFHSOBULKYOEEZ-DZKIICNBSA-N 1 2 343.431 0.962 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001059867268 751827660 /nfs/dbraw/zinc/82/76/60/751827660.db2.gz LDGVTMGSFBBPKZ-GJZGRUSLSA-N 1 2 332.404 0.276 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001059177177 743609138 /nfs/dbraw/zinc/60/91/38/743609138.db2.gz LFOXPABGGMVSDS-XYPYZODXSA-N 1 2 336.359 0.936 20 30 ECEDLO C=C1CC(C)(C(=O)N(CCO)CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001058771246 744068969 /nfs/dbraw/zinc/06/89/69/744068969.db2.gz XIRJLORKESTVCP-UHFFFAOYSA-N 1 2 334.420 0.256 20 30 ECEDLO Cc1c[nH+]c2cc(C(=O)N[C@@H]3[C@H]4CN(C(=O)[C@H](C)C#N)C[C@H]43)ccn12 ZINC000976555378 744080625 /nfs/dbraw/zinc/08/06/25/744080625.db2.gz LLMFXLUHRHGVMY-ADDUCUOXSA-N 1 2 337.383 0.989 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc4ccccn4c3)C2)nn1 ZINC001105339596 744540227 /nfs/dbraw/zinc/54/02/27/744540227.db2.gz ULFJNNDFPGJNTE-UHFFFAOYSA-N 1 2 334.383 0.951 20 30 ECEDLO C#Cc1cncc(C(=O)NC2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)c1 ZINC000999320869 744625946 /nfs/dbraw/zinc/62/59/46/744625946.db2.gz YOXCORXEFJQZRH-AWEZNQCLSA-N 1 2 349.394 0.463 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccnn3C)CC2(C)C)nn1 ZINC000977250464 744807763 /nfs/dbraw/zinc/80/77/63/744807763.db2.gz KVIQBVSXELJNAZ-OAHLLOKOSA-N 1 2 343.435 0.838 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccnn3C)CC2(C)C)nn1 ZINC000977250464 744807767 /nfs/dbraw/zinc/80/77/67/744807767.db2.gz KVIQBVSXELJNAZ-OAHLLOKOSA-N 1 2 343.435 0.838 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2C[N@H+]([C@H]3CCNC3=O)CC2(C)C)nn1 ZINC000977283927 744841868 /nfs/dbraw/zinc/84/18/68/744841868.db2.gz IYUGUZDTEHZBCU-KBPBESRZSA-N 1 2 346.435 0.183 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2C[N@@H+]([C@H]3CCNC3=O)CC2(C)C)nn1 ZINC000977283927 744841870 /nfs/dbraw/zinc/84/18/70/744841870.db2.gz IYUGUZDTEHZBCU-KBPBESRZSA-N 1 2 346.435 0.183 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H](n2cc(C[NH2+][C@@H](C)C(=O)NC)nn2)C1 ZINC001098697420 745229457 /nfs/dbraw/zinc/22/94/57/745229457.db2.gz HVUYOTZJFDNYBG-GXTWGEPZSA-N 1 2 348.451 0.488 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC34CCOCC4)C2)nn1 ZINC001105384291 745248983 /nfs/dbraw/zinc/24/89/83/745248983.db2.gz FUCRVWZERKVJOD-MRXNPFEDSA-N 1 2 343.431 0.591 20 30 ECEDLO CN(C[C@H]1CCN1C(=O)CCc1[nH]cc[nH+]1)C(=O)c1c[nH]c(C#N)c1 ZINC000977587939 745249417 /nfs/dbraw/zinc/24/94/17/745249417.db2.gz ZVOPYJBVXLEULI-CQSZACIVSA-N 1 2 340.387 0.915 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)c3cnn(C)c3)C2)nn1 ZINC001105384263 745249494 /nfs/dbraw/zinc/24/94/94/745249494.db2.gz DTGKREUXENFDRS-ZDUSSCGKSA-N 1 2 341.419 0.312 20 30 ECEDLO CC[C@H](C)C(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)CCC#N)C[C@H]1OC ZINC001211859553 745289680 /nfs/dbraw/zinc/28/96/80/745289680.db2.gz KDCANHUQJPAHAP-RRFJBIMHSA-N 1 2 338.452 0.610 20 30 ECEDLO CC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)CCC#N)C[C@H]1OC ZINC001211859553 745289683 /nfs/dbraw/zinc/28/96/83/745289683.db2.gz KDCANHUQJPAHAP-RRFJBIMHSA-N 1 2 338.452 0.610 20 30 ECEDLO O=C([C@H]1CCC(=O)N1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029241049 745421633 /nfs/dbraw/zinc/42/16/33/745421633.db2.gz FMGYBZPTNNAEFK-FGTMMUONSA-N 1 2 337.423 0.992 20 30 ECEDLO O=C([C@H]1CCC(=O)N1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029241049 745421637 /nfs/dbraw/zinc/42/16/37/745421637.db2.gz FMGYBZPTNNAEFK-FGTMMUONSA-N 1 2 337.423 0.992 20 30 ECEDLO C#CCOc1ccc(C(=O)N2CC(NC(=O)Cc3c[nH]c[nH+]3)C2)cc1 ZINC001000578443 745614557 /nfs/dbraw/zinc/61/45/57/745614557.db2.gz VASJIBCPDGTAJX-UHFFFAOYSA-N 1 2 338.367 0.605 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cc1ccn[nH]1 ZINC000977931086 745687827 /nfs/dbraw/zinc/68/78/27/745687827.db2.gz SXWRMLYGNUZARO-CVEARBPZSA-N 1 2 343.431 0.109 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cc1ccn[nH]1 ZINC000977931086 745687831 /nfs/dbraw/zinc/68/78/31/745687831.db2.gz SXWRMLYGNUZARO-CVEARBPZSA-N 1 2 343.431 0.109 20 30 ECEDLO N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)n1 ZINC001059331388 745971133 /nfs/dbraw/zinc/97/11/33/745971133.db2.gz TUPOWSDMUQCLRA-AVGNSLFASA-N 1 2 337.387 0.866 20 30 ECEDLO N#Cc1cnccc1N[C@H]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001059339115 746020737 /nfs/dbraw/zinc/02/07/37/746020737.db2.gz QHUBHGRFMKWVKB-BPLDGKMQSA-N 1 2 336.399 0.893 20 30 ECEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)c2nnn(C)n2)CC1 ZINC001001058014 746025596 /nfs/dbraw/zinc/02/55/96/746025596.db2.gz VLYSJOUNOCDJQT-UHFFFAOYSA-N 1 2 341.213 0.481 20 30 ECEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)c2nnn(C)n2)CC1 ZINC001001058014 746025600 /nfs/dbraw/zinc/02/56/00/746025600.db2.gz VLYSJOUNOCDJQT-UHFFFAOYSA-N 1 2 341.213 0.481 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cnn(C)n2)[C@@H]1CC ZINC001087732242 746257383 /nfs/dbraw/zinc/25/73/83/746257383.db2.gz KKBYNTQYZQTMDZ-QXSJWSMHSA-N 1 2 333.436 0.875 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cnn(C)n2)[C@@H]1CC ZINC001087732242 746257389 /nfs/dbraw/zinc/25/73/89/746257389.db2.gz KKBYNTQYZQTMDZ-QXSJWSMHSA-N 1 2 333.436 0.875 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)/C=C(/C)C2CC2)[C@H](OC)C1 ZINC001211947434 752075553 /nfs/dbraw/zinc/07/55/53/752075553.db2.gz WYQQWNUPTKWCLU-GUZZSNCSSA-N 1 2 335.448 0.849 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)/C=C(/C)C2CC2)[C@H](OC)C1 ZINC001211947434 752075557 /nfs/dbraw/zinc/07/55/57/752075557.db2.gz WYQQWNUPTKWCLU-GUZZSNCSSA-N 1 2 335.448 0.849 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)OC)[C@H](OC)C1 ZINC001211949215 752080334 /nfs/dbraw/zinc/08/03/34/752080334.db2.gz DWBSDSJEYIGVSP-RBSFLKMASA-N 1 2 339.436 0.037 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)OC)[C@H](OC)C1 ZINC001211949215 752080341 /nfs/dbraw/zinc/08/03/41/752080341.db2.gz DWBSDSJEYIGVSP-RBSFLKMASA-N 1 2 339.436 0.037 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)C1CCC(O)CC1 ZINC001083435251 752084288 /nfs/dbraw/zinc/08/42/88/752084288.db2.gz KLNPZOXGVHKZPN-GMNCBBECSA-N 1 2 342.439 0.751 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)C1CCC(O)CC1 ZINC001083435251 752084294 /nfs/dbraw/zinc/08/42/94/752084294.db2.gz KLNPZOXGVHKZPN-GMNCBBECSA-N 1 2 342.439 0.751 20 30 ECEDLO C#CC[N@@H+](C)[C@H]1CCCN(C(=O)C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001027641563 746469746 /nfs/dbraw/zinc/46/97/46/746469746.db2.gz LGADBECMBZUCMK-CABCVRRESA-N 1 2 326.462 0.757 20 30 ECEDLO C#CC[N@H+](C)[C@H]1CCCN(C(=O)C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001027641563 746469749 /nfs/dbraw/zinc/46/97/49/746469749.db2.gz LGADBECMBZUCMK-CABCVRRESA-N 1 2 326.462 0.757 20 30 ECEDLO COCCc1noc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]3C2)n1 ZINC001087911546 746646064 /nfs/dbraw/zinc/64/60/64/746646064.db2.gz ZBJGPHDPDMUWQQ-MJBXVCDLSA-N 1 2 347.419 0.698 20 30 ECEDLO COCCc1noc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]3C2)n1 ZINC001087911546 746646068 /nfs/dbraw/zinc/64/60/68/746646068.db2.gz ZBJGPHDPDMUWQQ-MJBXVCDLSA-N 1 2 347.419 0.698 20 30 ECEDLO Cn1ncc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)n1 ZINC001087940338 746695173 /nfs/dbraw/zinc/69/51/73/746695173.db2.gz FVFUOWDBPXAYNW-OCCSQVGLSA-N 1 2 339.403 0.609 20 30 ECEDLO Cn1ncc(C[N@H+]2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)n1 ZINC001087940338 746695176 /nfs/dbraw/zinc/69/51/76/746695176.db2.gz FVFUOWDBPXAYNW-OCCSQVGLSA-N 1 2 339.403 0.609 20 30 ECEDLO CCc1nc(C#N)cc(N[C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001059426801 746884844 /nfs/dbraw/zinc/88/48/44/746884844.db2.gz VBWVISXBQIREGJ-XYPYZODXSA-N 1 2 325.376 0.936 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)c3ncccc3O)[C@@H](O)C2)c1 ZINC001083421440 746902415 /nfs/dbraw/zinc/90/24/15/746902415.db2.gz ZDJDHRHJIMURLN-ZBFHGGJFSA-N 1 2 338.367 0.634 20 30 ECEDLO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)c3ncccc3O)[C@@H](O)C2)c1 ZINC001083421440 746902421 /nfs/dbraw/zinc/90/24/21/746902421.db2.gz ZDJDHRHJIMURLN-ZBFHGGJFSA-N 1 2 338.367 0.634 20 30 ECEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2COCCO2)CC1 ZINC001002370229 747261357 /nfs/dbraw/zinc/26/13/57/747261357.db2.gz IZDUORPIBNOCEO-GFCCVEGCSA-N 1 2 333.226 0.891 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2snnc2C)C1=O ZINC001027746864 747359929 /nfs/dbraw/zinc/35/99/29/747359929.db2.gz FJTGBAAMOIHZNW-CHWSQXEVSA-N 1 2 349.460 0.828 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2snnc2C)C1=O ZINC001027746864 747359936 /nfs/dbraw/zinc/35/99/36/747359936.db2.gz FJTGBAAMOIHZNW-CHWSQXEVSA-N 1 2 349.460 0.828 20 30 ECEDLO N#CCN1CC[C@@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@@H]2C1 ZINC001088125994 747439883 /nfs/dbraw/zinc/43/98/83/747439883.db2.gz JQEZHNKPDXECBF-SJORKVTESA-N 1 2 346.475 0.935 20 30 ECEDLO CO[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CN(C)C(C)=O ZINC001211894863 747558948 /nfs/dbraw/zinc/55/89/48/747558948.db2.gz WQXZRZYGOWLKHU-QZTJIDSGSA-N 1 2 343.427 0.332 20 30 ECEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CN(C)C(C)=O ZINC001211894863 747558956 /nfs/dbraw/zinc/55/89/56/747558956.db2.gz WQXZRZYGOWLKHU-QZTJIDSGSA-N 1 2 343.427 0.332 20 30 ECEDLO C=C(Br)C[NH+]1CCC(NC(=O)CN2CCOCC2)CC1 ZINC001002628136 747591552 /nfs/dbraw/zinc/59/15/52/747591552.db2.gz WKDNGKNCPVERNA-UHFFFAOYSA-N 1 2 346.269 0.808 20 30 ECEDLO C=C(Br)C[NH+]1CCC(NC(=O)C2CN(C(C)=O)C2)CC1 ZINC001002686359 747655426 /nfs/dbraw/zinc/65/54/26/747655426.db2.gz VBJIJBVYEFNPHC-UHFFFAOYSA-N 1 2 344.253 0.954 20 30 ECEDLO C[C@H]1C[C@H]([NH2+]Cc2nc(N(C)C)no2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC000988502573 752219521 /nfs/dbraw/zinc/21/95/21/752219521.db2.gz QFKKIFPVQFYLGO-JQWIXIFHSA-N 1 2 343.391 0.728 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1)C(=O)c1ccc(C#N)[nH]1 ZINC001002891366 747926591 /nfs/dbraw/zinc/92/65/91/747926591.db2.gz WDQLCVMCUFABMX-CYBMUJFWSA-N 1 2 340.387 0.915 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)c2cnn(C)c2CC)C1=O ZINC001038461258 747955197 /nfs/dbraw/zinc/95/51/97/747955197.db2.gz YMYWEEURGOEZBF-CZUORRHYSA-N 1 2 345.447 0.574 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)c2cnn(C)c2CC)C1=O ZINC001038461258 747955201 /nfs/dbraw/zinc/95/52/01/747955201.db2.gz YMYWEEURGOEZBF-CZUORRHYSA-N 1 2 345.447 0.574 20 30 ECEDLO C[C@H](NC(=O)Cn1cc[nH+]c1)C1CCN(c2cnc(C#N)cn2)CC1 ZINC001126743639 752228563 /nfs/dbraw/zinc/22/85/63/752228563.db2.gz DLIBGEINOXTVTO-ZDUSSCGKSA-N 1 2 339.403 0.966 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C3(C)CCOCC3)C2)nn1 ZINC001105344239 748291067 /nfs/dbraw/zinc/29/10/67/748291067.db2.gz UVRGSOBMOWHUPH-UHFFFAOYSA-N 1 2 331.420 0.591 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3nncn3C)C2)c1 ZINC001029835538 748669268 /nfs/dbraw/zinc/66/92/68/748669268.db2.gz SVHGTUUYDRVHSP-HNNXBMFYSA-N 1 2 338.415 0.786 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3nncn3C)C2)c1 ZINC001029835538 748669271 /nfs/dbraw/zinc/66/92/71/748669271.db2.gz SVHGTUUYDRVHSP-HNNXBMFYSA-N 1 2 338.415 0.786 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2nncn2C)C1 ZINC001029846957 748779389 /nfs/dbraw/zinc/77/93/89/748779389.db2.gz MZWMHMAJTUPVCJ-ZNMIVQPWSA-N 1 2 333.436 0.687 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2nncn2C)C1 ZINC001029846957 748779395 /nfs/dbraw/zinc/77/93/95/748779395.db2.gz MZWMHMAJTUPVCJ-ZNMIVQPWSA-N 1 2 333.436 0.687 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001027861044 748796606 /nfs/dbraw/zinc/79/66/06/748796606.db2.gz PXOGSYGAPLDNCT-GJZGRUSLSA-N 1 2 346.362 0.886 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001027861044 748796611 /nfs/dbraw/zinc/79/66/11/748796611.db2.gz PXOGSYGAPLDNCT-GJZGRUSLSA-N 1 2 346.362 0.886 20 30 ECEDLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001212166273 761912047 /nfs/dbraw/zinc/91/20/47/761912047.db2.gz YFMBKNPEJBDYSR-HUUCEWRRSA-N 1 2 348.378 0.149 20 30 ECEDLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1OC ZINC001212166273 761912051 /nfs/dbraw/zinc/91/20/51/761912051.db2.gz YFMBKNPEJBDYSR-HUUCEWRRSA-N 1 2 348.378 0.149 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001059646556 749101744 /nfs/dbraw/zinc/10/17/44/749101744.db2.gz TWZZYJTURHFOQJ-KBPBESRZSA-N 1 2 332.404 0.345 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccncc3)CC2)CC1 ZINC000985821764 749173589 /nfs/dbraw/zinc/17/35/89/749173589.db2.gz DSAAELXMMHPZOS-UHFFFAOYSA-N 1 2 343.431 0.763 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)Cc3ccon3)CC2)CC1 ZINC000985826272 749184674 /nfs/dbraw/zinc/18/46/74/749184674.db2.gz WRANIUMXBVYAJF-UHFFFAOYSA-N 1 2 347.419 0.285 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)Cc3ccco3)CC2)CC1 ZINC000985826876 749187292 /nfs/dbraw/zinc/18/72/92/749187292.db2.gz HUGVJOMYWKAARY-UHFFFAOYSA-N 1 2 346.431 0.890 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccnc(F)c3)C2)nn1 ZINC001098632215 749311428 /nfs/dbraw/zinc/31/14/28/749311428.db2.gz AHQLNLAZCTZYKO-CQSZACIVSA-N 1 2 328.351 0.622 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001105806169 761942255 /nfs/dbraw/zinc/94/22/55/761942255.db2.gz RCFZCHAODVBQHX-SUMWQHHRSA-N 1 2 334.420 0.879 20 30 ECEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001027918715 749408393 /nfs/dbraw/zinc/40/83/93/749408393.db2.gz RWHPPPHZHPOMGY-RYUDHWBXSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001027918715 749408395 /nfs/dbraw/zinc/40/83/95/749408395.db2.gz RWHPPPHZHPOMGY-RYUDHWBXSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001004522185 749593265 /nfs/dbraw/zinc/59/32/65/749593265.db2.gz YSWXXYPYJYDZKH-CABCVRRESA-N 1 2 332.404 0.128 20 30 ECEDLO C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001004740633 749804282 /nfs/dbraw/zinc/80/42/82/749804282.db2.gz HGHVGSVPEYIYBE-XHDPSFHLSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC000986420693 749902819 /nfs/dbraw/zinc/90/28/19/749902819.db2.gz AEVDFLLGXZXGFO-MJBXVCDLSA-N 1 2 329.404 0.429 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC000986438326 749928862 /nfs/dbraw/zinc/92/88/62/749928862.db2.gz UWJPKMHIOTUYFH-ZNMIVQPWSA-N 1 2 329.404 0.740 20 30 ECEDLO CCCn1nnnc1C[N@H+](C)CC1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001029947863 750030831 /nfs/dbraw/zinc/03/08/31/750030831.db2.gz KPVGAQQNSXQVGZ-ZDUSSCGKSA-N 1 2 333.440 0.913 20 30 ECEDLO CCCn1nnnc1C[N@@H+](C)CC1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001029947863 750030838 /nfs/dbraw/zinc/03/08/38/750030838.db2.gz KPVGAQQNSXQVGZ-ZDUSSCGKSA-N 1 2 333.440 0.913 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3cc(CC)n[nH]3)CC2)C1=O ZINC000980738265 750072935 /nfs/dbraw/zinc/07/29/35/750072935.db2.gz VPVBQNCKRODTEX-INIZCTEOSA-N 1 2 345.447 0.907 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3cc(CC)n[nH]3)CC2)C1=O ZINC000980738265 750072942 /nfs/dbraw/zinc/07/29/42/750072942.db2.gz VPVBQNCKRODTEX-INIZCTEOSA-N 1 2 345.447 0.907 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2C1 ZINC000986593750 750163950 /nfs/dbraw/zinc/16/39/50/750163950.db2.gz KCGRWTGAOHLHKY-BNOWGMLFSA-N 1 2 329.404 0.727 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC000980840373 750247448 /nfs/dbraw/zinc/24/74/48/750247448.db2.gz ZKWDMOLSSCZHAC-MRXNPFEDSA-N 1 2 326.400 0.871 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC000980840373 750247452 /nfs/dbraw/zinc/24/74/52/750247452.db2.gz ZKWDMOLSSCZHAC-MRXNPFEDSA-N 1 2 326.400 0.871 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[N@H+](CC2CCS(=O)(=O)CC2)CC1 ZINC000980849805 750260049 /nfs/dbraw/zinc/26/00/49/750260049.db2.gz NZXJAAOKSHQZIT-CYBMUJFWSA-N 1 2 327.450 0.505 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[N@@H+](CC2CCS(=O)(=O)CC2)CC1 ZINC000980849805 750260053 /nfs/dbraw/zinc/26/00/53/750260053.db2.gz NZXJAAOKSHQZIT-CYBMUJFWSA-N 1 2 327.450 0.505 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nc(CC)no3)[C@H]2C)nn1 ZINC000987131189 750516605 /nfs/dbraw/zinc/51/66/05/750516605.db2.gz CEFQUJFRVWEAAE-NEPJUHHUSA-N 1 2 345.407 0.802 20 30 ECEDLO Cn1nnc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2F)n1 ZINC001028078486 750556189 /nfs/dbraw/zinc/55/61/89/750556189.db2.gz KRIIOJIIWZMPPD-ZDUSSCGKSA-N 1 2 343.366 0.615 20 30 ECEDLO Cn1nnc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2cc(C#N)ccc2F)n1 ZINC001028078486 750556190 /nfs/dbraw/zinc/55/61/90/750556190.db2.gz KRIIOJIIWZMPPD-ZDUSSCGKSA-N 1 2 343.366 0.615 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]nc3C3CC3)C2)nn1 ZINC001105356523 750559906 /nfs/dbraw/zinc/55/99/06/750559906.db2.gz XVVCYACMSPAKJD-UHFFFAOYSA-N 1 2 339.403 0.689 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC[C@H]([NH2+]Cc2nnn(C)n2)[C@H]1C ZINC000987417555 750795633 /nfs/dbraw/zinc/79/56/33/750795633.db2.gz UCLYJKXYAIMDHF-CJNGLKHVSA-N 1 2 338.415 0.513 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001028109000 750894060 /nfs/dbraw/zinc/89/40/60/750894060.db2.gz BVTIDKCNNWIYEP-GJZGRUSLSA-N 1 2 345.378 0.459 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001028109000 750894068 /nfs/dbraw/zinc/89/40/68/750894068.db2.gz BVTIDKCNNWIYEP-GJZGRUSLSA-N 1 2 345.378 0.459 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3c[nH]nc3C)CC2)C1=O ZINC000981725139 751012965 /nfs/dbraw/zinc/01/29/65/751012965.db2.gz NVCFFLAOUPROEO-HNNXBMFYSA-N 1 2 331.420 0.653 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3c[nH]nc3C)CC2)C1=O ZINC000981725139 751012970 /nfs/dbraw/zinc/01/29/70/751012970.db2.gz NVCFFLAOUPROEO-HNNXBMFYSA-N 1 2 331.420 0.653 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCNC3=O)CC2)c(F)c1 ZINC000981750401 751049915 /nfs/dbraw/zinc/04/99/15/751049915.db2.gz XHPRBSFAWQVHTO-HNNXBMFYSA-N 1 2 344.390 0.868 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCNC3=O)CC2)c(F)c1 ZINC000981750401 751049922 /nfs/dbraw/zinc/04/99/22/751049922.db2.gz XHPRBSFAWQVHTO-HNNXBMFYSA-N 1 2 344.390 0.868 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H](C)n3cccn3)C2)nn1 ZINC001105358188 751156175 /nfs/dbraw/zinc/15/61/75/751156175.db2.gz STOIAZRMYPBGKQ-ZDUSSCGKSA-N 1 2 327.392 0.232 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](Nc2ccncc2C#N)C1 ZINC001059829859 751158339 /nfs/dbraw/zinc/15/83/39/751158339.db2.gz BSRLGTDLZCWKSI-LXTVHRRPSA-N 1 2 336.399 0.971 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000981850559 751190812 /nfs/dbraw/zinc/19/08/12/751190812.db2.gz LTGJHNLETSGLCE-HNNXBMFYSA-N 1 2 327.388 0.274 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000981850559 751190813 /nfs/dbraw/zinc/19/08/13/751190813.db2.gz LTGJHNLETSGLCE-HNNXBMFYSA-N 1 2 327.388 0.274 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)[nH]nc3C(C)C)C2)nn1 ZINC001105358359 751196580 /nfs/dbraw/zinc/19/65/80/751196580.db2.gz XXZRARVHZCCKFB-UHFFFAOYSA-N 1 2 341.419 0.853 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)n[nH]c3C(C)C)C2)nn1 ZINC001105358359 751196583 /nfs/dbraw/zinc/19/65/83/751196583.db2.gz XXZRARVHZCCKFB-UHFFFAOYSA-N 1 2 341.419 0.853 20 30 ECEDLO C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CN(C(=O)C#CC2CC2)C1 ZINC001006311094 751228673 /nfs/dbraw/zinc/22/86/73/751228673.db2.gz JEGYAEGOHAEJFW-DZGCQCFKSA-N 1 2 340.427 0.822 20 30 ECEDLO CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC2(C1)CCCN(CC#N)C2 ZINC000981914639 751273408 /nfs/dbraw/zinc/27/34/08/751273408.db2.gz QPJFNFOFEIILFV-INIZCTEOSA-N 1 2 334.464 0.935 20 30 ECEDLO CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC2(C1)CCCN(CC#N)C2 ZINC000981914639 751273409 /nfs/dbraw/zinc/27/34/09/751273409.db2.gz QPJFNFOFEIILFV-INIZCTEOSA-N 1 2 334.464 0.935 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(F)F)[C@H](OC)C1 ZINC001211742313 752321918 /nfs/dbraw/zinc/32/19/18/752321918.db2.gz ZUYVLHDEHGDQJY-JHJVBQTASA-N 1 2 347.406 0.880 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(F)F)[C@H](OC)C1 ZINC001211742313 752321926 /nfs/dbraw/zinc/32/19/26/752321926.db2.gz ZUYVLHDEHGDQJY-JHJVBQTASA-N 1 2 347.406 0.880 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cn3cc4ccccc4n3)C2)nn1 ZINC001105363350 752351446 /nfs/dbraw/zinc/35/14/46/752351446.db2.gz WJFSBXFAHYMHCU-UHFFFAOYSA-N 1 2 349.398 0.434 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC2=CCCCC2)[C@H](OC)C1 ZINC001212017375 752414943 /nfs/dbraw/zinc/41/49/43/752414943.db2.gz GYODJMMSTLGQPI-HZPDHXFCSA-N 1 2 333.432 0.442 20 30 ECEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC2=CCCCC2)[C@H](OC)C1 ZINC001212017375 752414946 /nfs/dbraw/zinc/41/49/46/752414946.db2.gz GYODJMMSTLGQPI-HZPDHXFCSA-N 1 2 333.432 0.442 20 30 ECEDLO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)o1 ZINC001083443946 752429290 /nfs/dbraw/zinc/42/92/90/752429290.db2.gz GGFAWXPCUHVABJ-OLZOCXBDSA-N 1 2 347.400 0.215 20 30 ECEDLO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)o1 ZINC001083443946 752429294 /nfs/dbraw/zinc/42/92/94/752429294.db2.gz GGFAWXPCUHVABJ-OLZOCXBDSA-N 1 2 347.400 0.215 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000425890295 752429902 /nfs/dbraw/zinc/42/99/02/752429902.db2.gz HPJDMJDHVRHUEA-ZNMIVQPWSA-N 1 2 346.431 0.833 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2n[nH]c(C)c2C)[C@H](OC)C1 ZINC001212043567 752436393 /nfs/dbraw/zinc/43/63/93/752436393.db2.gz OHDRSOJZPRKDAB-BFHYXJOUSA-N 1 2 349.435 0.146 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2n[nH]c(C)c2C)[C@H](OC)C1 ZINC001212043567 752436398 /nfs/dbraw/zinc/43/63/98/752436398.db2.gz OHDRSOJZPRKDAB-BFHYXJOUSA-N 1 2 349.435 0.146 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCCc3ccccn3)C2)nn1 ZINC001105366423 752463264 /nfs/dbraw/zinc/46/32/64/752463264.db2.gz ORLRPHPTNMVNAM-UHFFFAOYSA-N 1 2 338.415 0.802 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCOC)[C@H](OC)C1 ZINC001211754779 752520472 /nfs/dbraw/zinc/52/04/72/752520472.db2.gz JOCQZFHIFSYDBJ-HUUCEWRRSA-N 1 2 341.452 0.263 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)CCOC)[C@H](OC)C1 ZINC001211754779 752520475 /nfs/dbraw/zinc/52/04/75/752520475.db2.gz JOCQZFHIFSYDBJ-HUUCEWRRSA-N 1 2 341.452 0.263 20 30 ECEDLO Cc1c[nH]nc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083447542 752584997 /nfs/dbraw/zinc/58/49/97/752584997.db2.gz XDFCAHRDJMSPNB-CABCVRRESA-N 1 2 325.372 0.565 20 30 ECEDLO Cc1c[nH]nc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083447542 752585002 /nfs/dbraw/zinc/58/50/02/752585002.db2.gz XDFCAHRDJMSPNB-CABCVRRESA-N 1 2 325.372 0.565 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000938028562 752671587 /nfs/dbraw/zinc/67/15/87/752671587.db2.gz RXZAJTVYPREVHB-ZOBUZTSGSA-N 1 2 346.431 0.972 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000938033278 752688124 /nfs/dbraw/zinc/68/81/24/752688124.db2.gz BPKCACGVFOPGTI-ZNMIVQPWSA-N 1 2 332.404 0.581 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)[C@H](OC)C1 ZINC001212078668 752708816 /nfs/dbraw/zinc/70/88/16/752708816.db2.gz OGKJNZVIJNRFPG-YCCFLXJFSA-N 1 2 335.448 0.540 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)[C@H](OC)C1 ZINC001212078668 752708819 /nfs/dbraw/zinc/70/88/19/752708819.db2.gz OGKJNZVIJNRFPG-YCCFLXJFSA-N 1 2 335.448 0.540 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)/C=C/c2ccco2)[C@H](OC)C1 ZINC001211779982 752709520 /nfs/dbraw/zinc/70/95/20/752709520.db2.gz SFOHGYOWRRQKLF-WLBISTCBSA-N 1 2 333.388 0.410 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)/C=C/c2ccco2)[C@H](OC)C1 ZINC001211779982 752709525 /nfs/dbraw/zinc/70/95/25/752709525.db2.gz SFOHGYOWRRQKLF-WLBISTCBSA-N 1 2 333.388 0.410 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@]2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)CCO2 ZINC001007655522 752721302 /nfs/dbraw/zinc/72/13/02/752721302.db2.gz RVCBQXPZQYSEOK-GOSISDBHSA-N 1 2 342.399 0.196 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@H+](Cc3nnnn3C3CC3)C2)c1 ZINC001028471475 752774539 /nfs/dbraw/zinc/77/45/39/752774539.db2.gz ZJNLWNGHVIINTB-NSHDSACASA-N 1 2 340.391 0.460 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@@H+](Cc3nnnn3C3CC3)C2)c1 ZINC001028471475 752774544 /nfs/dbraw/zinc/77/45/44/752774544.db2.gz ZJNLWNGHVIINTB-NSHDSACASA-N 1 2 340.391 0.460 20 30 ECEDLO O=C(C#CC1CC1)N1CCO[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001007745648 752891396 /nfs/dbraw/zinc/89/13/96/752891396.db2.gz ODLTXEFEGGRQNI-SFHVURJKSA-N 1 2 342.399 0.196 20 30 ECEDLO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H](C)NC(C)=O ZINC001211813780 752929905 /nfs/dbraw/zinc/92/99/05/752929905.db2.gz JUIIIRVXTGVFDC-JCURWCKSSA-N 1 2 344.415 0.398 20 30 ECEDLO CO[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H](C)NC(C)=O ZINC001211813780 752929907 /nfs/dbraw/zinc/92/99/07/752929907.db2.gz JUIIIRVXTGVFDC-JCURWCKSSA-N 1 2 344.415 0.398 20 30 ECEDLO O=C(NC[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)C1CS(=O)(=O)C1 ZINC001028563999 753151477 /nfs/dbraw/zinc/15/14/77/753151477.db2.gz SCPPIFMEYWFGFC-INIZCTEOSA-N 1 2 346.452 0.521 20 30 ECEDLO O=C(NC[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)C1CS(=O)(=O)C1 ZINC001028563999 753151483 /nfs/dbraw/zinc/15/14/83/753151483.db2.gz SCPPIFMEYWFGFC-INIZCTEOSA-N 1 2 346.452 0.521 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)c1 ZINC000982692665 753320994 /nfs/dbraw/zinc/32/09/94/753320994.db2.gz NIORFFYCLYAJCB-GFCCVEGCSA-N 1 2 340.387 0.821 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)c1 ZINC001008178999 753428831 /nfs/dbraw/zinc/42/88/31/753428831.db2.gz SJCCVDGVJGSHEL-LSDHHAIUSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)c1 ZINC001008178999 753428835 /nfs/dbraw/zinc/42/88/35/753428835.db2.gz SJCCVDGVJGSHEL-LSDHHAIUSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001008178981 753429025 /nfs/dbraw/zinc/42/90/25/753429025.db2.gz SBEQSESLQKPKHO-JKSUJKDBSA-N 1 2 326.400 0.775 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001008178981 753429029 /nfs/dbraw/zinc/42/90/29/753429029.db2.gz SBEQSESLQKPKHO-JKSUJKDBSA-N 1 2 326.400 0.775 20 30 ECEDLO CN1C[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)NC1=O ZINC001008189316 753446734 /nfs/dbraw/zinc/44/67/34/753446734.db2.gz NCTPZJMZRKHXJO-JKSUJKDBSA-N 1 2 341.415 0.662 20 30 ECEDLO CN1C[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)NC1=O ZINC001008189316 753446738 /nfs/dbraw/zinc/44/67/38/753446738.db2.gz NCTPZJMZRKHXJO-JKSUJKDBSA-N 1 2 341.415 0.662 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCOC3)[C@@H](O)C2)cc1F ZINC001083361615 753679098 /nfs/dbraw/zinc/67/90/98/753679098.db2.gz WHWSUKPFBJUNEB-BMFZPTHFSA-N 1 2 333.363 0.395 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CCOC3)[C@@H](O)C2)cc1F ZINC001083361615 753679105 /nfs/dbraw/zinc/67/91/05/753679105.db2.gz WHWSUKPFBJUNEB-BMFZPTHFSA-N 1 2 333.363 0.395 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3cn(C)nc3C)C2)nn1 ZINC001098682912 753689142 /nfs/dbraw/zinc/68/91/42/753689142.db2.gz KCIXAWVUMVOFQX-MRXNPFEDSA-N 1 2 341.419 0.059 20 30 ECEDLO Cc1cc(CC(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)no1 ZINC001083371596 753707468 /nfs/dbraw/zinc/70/74/68/753707468.db2.gz ZHWYWPNLBZTJOD-MSOLQXFVSA-N 1 2 339.395 0.739 20 30 ECEDLO Cc1cc(CC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)no1 ZINC001083371596 753707473 /nfs/dbraw/zinc/70/74/73/753707473.db2.gz ZHWYWPNLBZTJOD-MSOLQXFVSA-N 1 2 339.395 0.739 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccc(C)nc3)C2)nn1 ZINC001105374034 753744932 /nfs/dbraw/zinc/74/49/32/753744932.db2.gz CRCUVYIXKUPGLS-UHFFFAOYSA-N 1 2 338.415 0.720 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3nccs3)C2)nn1 ZINC001105374310 753751490 /nfs/dbraw/zinc/75/14/90/753751490.db2.gz UOQPYSLMDNAOBO-UHFFFAOYSA-N 1 2 330.417 0.474 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N3CCC3)C2)c1 ZINC001008470070 753774359 /nfs/dbraw/zinc/77/43/59/753774359.db2.gz SCZSZHMLYVUHDT-MRXNPFEDSA-N 1 2 326.400 0.489 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCC3)C2)c1 ZINC001008470070 753774366 /nfs/dbraw/zinc/77/43/66/753774366.db2.gz SCZSZHMLYVUHDT-MRXNPFEDSA-N 1 2 326.400 0.489 20 30 ECEDLO Cc1ncc(C[N@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)s1 ZINC001083390371 753776315 /nfs/dbraw/zinc/77/63/15/753776315.db2.gz OBPUZEKGTGETJK-KGLIPLIRSA-N 1 2 331.401 0.626 20 30 ECEDLO Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)s1 ZINC001083390371 753776319 /nfs/dbraw/zinc/77/63/19/753776319.db2.gz OBPUZEKGTGETJK-KGLIPLIRSA-N 1 2 331.401 0.626 20 30 ECEDLO Cc1cc(C[N@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)sn1 ZINC001083390505 753780068 /nfs/dbraw/zinc/78/00/68/753780068.db2.gz UMYNLTIXIOXXGL-KGLIPLIRSA-N 1 2 331.401 0.626 20 30 ECEDLO Cc1cc(C[N@@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)sn1 ZINC001083390505 753780072 /nfs/dbraw/zinc/78/00/72/753780072.db2.gz UMYNLTIXIOXXGL-KGLIPLIRSA-N 1 2 331.401 0.626 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](F)Cc3ccccc3)C2)nn1 ZINC001105375697 753820814 /nfs/dbraw/zinc/82/08/14/753820814.db2.gz LGTZGKPFJAXOCM-QGZVFWFLSA-N 1 2 341.390 0.965 20 30 ECEDLO C=CCOc1cccnc1C(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000989451464 753950470 /nfs/dbraw/zinc/95/04/70/753950470.db2.gz HPUWPQOBWITOAF-AWEZNQCLSA-N 1 2 344.415 0.683 20 30 ECEDLO C=CCOc1cccnc1C(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000989451464 753950473 /nfs/dbraw/zinc/95/04/73/753950473.db2.gz HPUWPQOBWITOAF-AWEZNQCLSA-N 1 2 344.415 0.683 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+]([C@@H]3CCC(=O)NC3=O)CC2)nc1 ZINC000989512472 754062827 /nfs/dbraw/zinc/06/28/27/754062827.db2.gz LGZWAYAUKWCZCE-OAHLLOKOSA-N 1 2 340.383 0.016 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@H+]([C@@H]3CCC(=O)NC3=O)CC2)nc1 ZINC000989512472 754062829 /nfs/dbraw/zinc/06/28/29/754062829.db2.gz LGZWAYAUKWCZCE-OAHLLOKOSA-N 1 2 340.383 0.016 20 30 ECEDLO C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC000989569851 754127754 /nfs/dbraw/zinc/12/77/54/754127754.db2.gz YBLBXYYJFPENDE-VXGBXAGGSA-N 1 2 330.392 0.226 20 30 ECEDLO Cc1nnc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)o1 ZINC001051523975 762275601 /nfs/dbraw/zinc/27/56/01/762275601.db2.gz NTRSCGATHMFCGH-GXFFZTMASA-N 1 2 344.375 0.770 20 30 ECEDLO CCc1noc(C[NH2+]C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)n1 ZINC001051524719 762276387 /nfs/dbraw/zinc/27/63/87/762276387.db2.gz WNTJPPXRESDGMS-LBPRGKRZSA-N 1 2 344.375 0.463 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)nc1 ZINC000982932732 754232746 /nfs/dbraw/zinc/23/27/46/754232746.db2.gz GAFQCWMOISVJSQ-OAHLLOKOSA-N 1 2 337.383 0.538 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N3CCC3)C2)cn1 ZINC001009268405 754724665 /nfs/dbraw/zinc/72/46/65/754724665.db2.gz INNFOHOVCCKBGQ-MRXNPFEDSA-N 1 2 326.400 0.489 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCC3)C2)cn1 ZINC001009268405 754724666 /nfs/dbraw/zinc/72/46/66/754724666.db2.gz INNFOHOVCCKBGQ-MRXNPFEDSA-N 1 2 326.400 0.489 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3snnc3CC)C2)nn1 ZINC001098688737 755065142 /nfs/dbraw/zinc/06/51/42/755065142.db2.gz WYBDUNHURWEFLM-GFCCVEGCSA-N 1 2 345.432 0.502 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2nnnn2C(C)C)C1 ZINC001028810085 755197765 /nfs/dbraw/zinc/19/77/65/755197765.db2.gz WHNXRXFAPZVPES-ZNMIVQPWSA-N 1 2 348.451 0.783 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2nnnn2C(C)C)C1 ZINC001028810085 755197768 /nfs/dbraw/zinc/19/77/68/755197768.db2.gz WHNXRXFAPZVPES-ZNMIVQPWSA-N 1 2 348.451 0.783 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2nnnn2CCC)C1 ZINC001028813010 755207699 /nfs/dbraw/zinc/20/76/99/755207699.db2.gz RPNZXZJEFAECGB-KFWWJZLASA-N 1 2 348.451 0.612 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2nnnn2CCC)C1 ZINC001028813010 755207701 /nfs/dbraw/zinc/20/77/01/755207701.db2.gz RPNZXZJEFAECGB-KFWWJZLASA-N 1 2 348.451 0.612 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3c[nH]c4ncccc34)C2)nn1 ZINC001105379512 755365442 /nfs/dbraw/zinc/36/54/42/755365442.db2.gz YRJBLNOPUNSQQZ-UHFFFAOYSA-N 1 2 349.398 0.503 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000983366647 755420131 /nfs/dbraw/zinc/42/01/31/755420131.db2.gz BDNUWFCWWRVNGC-YUELXQCFSA-N 1 2 332.404 0.508 20 30 ECEDLO N#Cc1nc(NC[C@@H](O)CNC(=O)Cn2cc[nH+]c2)sc1Cl ZINC001105883005 762390904 /nfs/dbraw/zinc/39/09/04/762390904.db2.gz PJZWZJOQJDTTPX-QMMMGPOBSA-N 1 2 340.796 0.454 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)Cn3cnnn3)C2)c1 ZINC001010106312 755655229 /nfs/dbraw/zinc/65/52/29/755655229.db2.gz LIXZNUAGXRSGJO-CYBMUJFWSA-N 1 2 329.339 0.075 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)Cn3cnnn3)C2)c1 ZINC001010106312 755655232 /nfs/dbraw/zinc/65/52/32/755655232.db2.gz LIXZNUAGXRSGJO-CYBMUJFWSA-N 1 2 329.339 0.075 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCS(C)(=O)=O)[C@@H]2C)cc1 ZINC001088787103 755665711 /nfs/dbraw/zinc/66/57/11/755665711.db2.gz QSZVKZZPKJTPPE-CJNGLKHVSA-N 1 2 334.441 0.905 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCS(C)(=O)=O)[C@@H]2C)cc1 ZINC001088787103 755665716 /nfs/dbraw/zinc/66/57/16/755665716.db2.gz QSZVKZZPKJTPPE-CJNGLKHVSA-N 1 2 334.441 0.905 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@H]3COC(=O)C3)C2)nn1 ZINC001098657237 755706415 /nfs/dbraw/zinc/70/64/15/755706415.db2.gz UFPXUWDJYGSYOH-HIFRSBDPSA-N 1 2 345.403 0.118 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3ccc(C)o3)C2)nn1 ZINC001098658725 755766967 /nfs/dbraw/zinc/76/69/67/755766967.db2.gz ITXMEUUZTICRPW-OAHLLOKOSA-N 1 2 327.388 0.918 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3COCCO3)C2)c1 ZINC001010255079 755891337 /nfs/dbraw/zinc/89/13/37/755891337.db2.gz NGLNARLODFOVJF-HOCLYGCPSA-N 1 2 333.363 0.803 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)[C@@H]3COCCO3)C2)c1 ZINC001010255079 755891343 /nfs/dbraw/zinc/89/13/43/755891343.db2.gz NGLNARLODFOVJF-HOCLYGCPSA-N 1 2 333.363 0.803 20 30 ECEDLO C[C@H]1C[C@H](CNC(=O)c2ccc(C#N)[nH]2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001010327077 756003380 /nfs/dbraw/zinc/00/33/80/756003380.db2.gz GNSZELPWPWKNJO-NWDGAFQWSA-N 1 2 340.387 0.819 20 30 ECEDLO C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001060094338 756027566 /nfs/dbraw/zinc/02/75/66/756027566.db2.gz BYIXEGLAAOBDOI-OAHLLOKOSA-N 1 2 348.447 0.910 20 30 ECEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3F)C2)C1 ZINC001010429205 756128007 /nfs/dbraw/zinc/12/80/07/756128007.db2.gz SABXHXZSWIBFBB-DOTOQJQBSA-N 1 2 346.406 0.718 20 30 ECEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3F)C2)C1 ZINC001010429205 756128012 /nfs/dbraw/zinc/12/80/12/756128012.db2.gz SABXHXZSWIBFBB-DOTOQJQBSA-N 1 2 346.406 0.718 20 30 ECEDLO COc1nccc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001010458216 756152526 /nfs/dbraw/zinc/15/25/26/756152526.db2.gz RDXZESUMHCBCAJ-CYBMUJFWSA-N 1 2 326.360 0.689 20 30 ECEDLO COc1nccc(C[N@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001010458216 756152529 /nfs/dbraw/zinc/15/25/29/756152529.db2.gz RDXZESUMHCBCAJ-CYBMUJFWSA-N 1 2 326.360 0.689 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCNC(=O)c1ccc(C#N)[nH]1 ZINC001076179063 756178623 /nfs/dbraw/zinc/17/86/23/756178623.db2.gz TWPKNIVCGOBNGI-JTQLQIEISA-N 1 2 328.376 0.785 20 30 ECEDLO C#CCCCC(=O)NCC[C@H](C)NC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001076296899 756341324 /nfs/dbraw/zinc/34/13/24/756341324.db2.gz ZODPDCLIYHNLTF-MAUKXSAKSA-N 1 2 349.475 0.912 20 30 ECEDLO C=CCOCC(=O)NCCN(CCC)c1ncnc2c1C[N@H+](C)CC2 ZINC001101106382 756393247 /nfs/dbraw/zinc/39/32/47/756393247.db2.gz ILZYGMUOBRJRRH-UHFFFAOYSA-N 1 2 347.463 1.000 20 30 ECEDLO C=CCOCC(=O)NCCN(CCC)c1ncnc2c1C[N@@H+](C)CC2 ZINC001101106382 756393251 /nfs/dbraw/zinc/39/32/51/756393251.db2.gz ILZYGMUOBRJRRH-UHFFFAOYSA-N 1 2 347.463 1.000 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccnn2CC(F)(F)F)[C@@H](O)C1 ZINC001083547700 756464588 /nfs/dbraw/zinc/46/45/88/756464588.db2.gz ZCPRMXDJZXFHLU-PWSUYJOCSA-N 1 2 330.310 0.244 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccnn2CC(F)(F)F)[C@@H](O)C1 ZINC001083547700 756464591 /nfs/dbraw/zinc/46/45/91/756464591.db2.gz ZCPRMXDJZXFHLU-PWSUYJOCSA-N 1 2 330.310 0.244 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001010838841 756586969 /nfs/dbraw/zinc/58/69/69/756586969.db2.gz WADDQSKWUUOJJC-CQSZACIVSA-N 1 2 329.404 0.884 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)c1 ZINC001010920490 756670320 /nfs/dbraw/zinc/67/03/20/756670320.db2.gz BRIJUBWZGMRWGT-CHWSQXEVSA-N 1 2 338.371 0.698 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)c1 ZINC001010920490 756670321 /nfs/dbraw/zinc/67/03/21/756670321.db2.gz BRIJUBWZGMRWGT-CHWSQXEVSA-N 1 2 338.371 0.698 20 30 ECEDLO C[C@@H](CC(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1)n1cc[nH+]c1 ZINC000990930618 756878693 /nfs/dbraw/zinc/87/86/93/756878693.db2.gz APMYHKBXAOWHBA-NSHDSACASA-N 1 2 326.360 0.675 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3cccc(C)c3)C2)C1=O ZINC001076706482 756896952 /nfs/dbraw/zinc/89/69/52/756896952.db2.gz JROPYBHVOMSNPS-IXDOHACOSA-N 1 2 343.427 0.557 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cccc(C)c3)C2)C1=O ZINC001076706482 756896960 /nfs/dbraw/zinc/89/69/60/756896960.db2.gz JROPYBHVOMSNPS-IXDOHACOSA-N 1 2 343.427 0.557 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048812139 757072946 /nfs/dbraw/zinc/07/29/46/757072946.db2.gz BYCROCAIDUTAGW-WRWGMCAJSA-N 1 2 344.209 0.950 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048812139 757072953 /nfs/dbraw/zinc/07/29/53/757072953.db2.gz BYCROCAIDUTAGW-WRWGMCAJSA-N 1 2 344.209 0.950 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)C3CC3)nn2)C1 ZINC001107153968 757118995 /nfs/dbraw/zinc/11/89/95/757118995.db2.gz RRNCHBUAPFGXBI-CYBMUJFWSA-N 1 2 333.436 1.000 20 30 ECEDLO O=C(C#CC1CC1)NCc1cn(C2C[NH+](CCOC3CCC3)C2)nn1 ZINC001107171235 757217640 /nfs/dbraw/zinc/21/76/40/757217640.db2.gz OZVJZEOSZRCBRT-UHFFFAOYSA-N 1 2 343.431 0.734 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3ccsn3)nn2)C1 ZINC001107180495 757300596 /nfs/dbraw/zinc/30/05/96/757300596.db2.gz VBDQPHGGPRXKNM-UHFFFAOYSA-N 1 2 348.432 0.724 20 30 ECEDLO C=CCN1CC(n2cc(CNC(=O)C(C)(C)n3c[nH+]c(C)c3)nn2)C1 ZINC001107181446 757312119 /nfs/dbraw/zinc/31/21/19/757312119.db2.gz AXTBJCDOHAYGIC-UHFFFAOYSA-N 1 2 343.435 0.877 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CO[C@H](C)C3)nn2)C1 ZINC001107182578 757318157 /nfs/dbraw/zinc/31/81/57/757318157.db2.gz XINBMESIUMOSBR-KGLIPLIRSA-N 1 2 349.435 0.379 20 30 ECEDLO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001048916034 757398475 /nfs/dbraw/zinc/39/84/75/757398475.db2.gz FDCAUONCCRVFIZ-BPUTZDHNSA-N 1 2 346.431 0.422 20 30 ECEDLO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001048916034 757398485 /nfs/dbraw/zinc/39/84/85/757398485.db2.gz FDCAUONCCRVFIZ-BPUTZDHNSA-N 1 2 346.431 0.422 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001083554903 757404575 /nfs/dbraw/zinc/40/45/75/757404575.db2.gz BYNJDIYOYPRPBP-CABCVRRESA-N 1 2 339.355 0.029 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001083554903 757404584 /nfs/dbraw/zinc/40/45/84/757404584.db2.gz BYNJDIYOYPRPBP-CABCVRRESA-N 1 2 339.355 0.029 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@H](F)C(C)C)nn2)C1 ZINC001107194350 757494319 /nfs/dbraw/zinc/49/43/19/757494319.db2.gz RKYJLLDKZZMZPM-OAHLLOKOSA-N 1 2 339.415 0.948 20 30 ECEDLO Cc1cnc([C@@H](C)[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cn1 ZINC001076907471 757564572 /nfs/dbraw/zinc/56/45/72/757564572.db2.gz QCWXMLNQSPLHOD-HFBAOOFYSA-N 1 2 340.387 0.521 20 30 ECEDLO Cc1cnc([C@@H](C)[N@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cn1 ZINC001076907471 757564582 /nfs/dbraw/zinc/56/45/82/757564582.db2.gz QCWXMLNQSPLHOD-HFBAOOFYSA-N 1 2 340.387 0.521 20 30 ECEDLO C=CC[NH2+][C@H]1CN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1(C)C ZINC000996425829 757646892 /nfs/dbraw/zinc/64/68/92/757646892.db2.gz LOFRWEUQXSQYHI-LBPRGKRZSA-N 1 2 330.392 0.084 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001021589090 757650338 /nfs/dbraw/zinc/65/03/38/757650338.db2.gz NGAMMDUQAVGOKC-GOEBONIOSA-N 1 2 326.400 0.733 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)[C@H]3CCCO3)nn2)C1 ZINC001107208318 757677511 /nfs/dbraw/zinc/67/75/11/757677511.db2.gz YMNUXFVLFLZCBO-CZUORRHYSA-N 1 2 331.420 0.589 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](CC(C)C)OC)nn2)C1 ZINC001107209020 757683384 /nfs/dbraw/zinc/68/33/84/757683384.db2.gz CMFGOWFHZHKADP-INIZCTEOSA-N 1 2 333.436 0.835 20 30 ECEDLO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)o1 ZINC001076962408 757735070 /nfs/dbraw/zinc/73/50/70/757735070.db2.gz QUBFLVRZBYTRJF-HZPDHXFCSA-N 1 2 340.383 0.134 20 30 ECEDLO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)o1 ZINC001076962408 757735076 /nfs/dbraw/zinc/73/50/76/757735076.db2.gz QUBFLVRZBYTRJF-HZPDHXFCSA-N 1 2 340.383 0.134 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3CC)nn2)C1 ZINC001107212198 757745126 /nfs/dbraw/zinc/74/51/26/757745126.db2.gz SLGSDABRDLAKBJ-CZUORRHYSA-N 1 2 333.436 1.000 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@H]3CC[C@@H](C)O3)nn2)C1 ZINC001107212271 757745995 /nfs/dbraw/zinc/74/59/95/757745995.db2.gz XFMMMLYEHJBPRK-CZUORRHYSA-N 1 2 349.435 0.521 20 30 ECEDLO CN(C(=O)CCCn1cc[nH+]c1)[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O ZINC001049034796 757750437 /nfs/dbraw/zinc/75/04/37/757750437.db2.gz LCMZCLIJEJVCPO-HOTGVXAUSA-N 1 2 344.415 0.107 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C(C)=C3CCC3)C2)C1=O ZINC001076978169 757787922 /nfs/dbraw/zinc/78/79/22/757787922.db2.gz CXBKWNTZVFEHOP-BZUAXINKSA-N 1 2 333.432 0.435 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C(C)=C3CCC3)C2)C1=O ZINC001076978169 757787930 /nfs/dbraw/zinc/78/79/30/757787930.db2.gz CXBKWNTZVFEHOP-BZUAXINKSA-N 1 2 333.432 0.435 20 30 ECEDLO CC#CCN1CC(n2cc(CNC(=O)C[C@H](C)n3cc[nH+]c3)nn2)C1 ZINC001107215841 757793793 /nfs/dbraw/zinc/79/37/93/757793793.db2.gz ORXLIWZUMSNSKT-AWEZNQCLSA-N 1 2 341.419 0.622 20 30 ECEDLO C#CCOc1ccc(C(=O)NC2CN(C(=O)Cc3c[nH+]c[nH]3)C2)cc1 ZINC000991667829 762576935 /nfs/dbraw/zinc/57/69/35/762576935.db2.gz UQGKOSOALNNAIA-UHFFFAOYSA-N 1 2 338.367 0.605 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCC3CCOCC3)nn2)C1 ZINC001107217707 757824729 /nfs/dbraw/zinc/82/47/29/757824729.db2.gz WQPOLAMCXULKHA-UHFFFAOYSA-N 1 2 345.447 0.981 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(C3CCOCC3)n2)C1 ZINC001076997716 757865999 /nfs/dbraw/zinc/86/59/99/757865999.db2.gz FAWVPOCINYQCQH-HZPDHXFCSA-N 1 2 332.404 0.033 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(C3CCOCC3)n2)C1 ZINC001076997716 757866010 /nfs/dbraw/zinc/86/60/10/757866010.db2.gz FAWVPOCINYQCQH-HZPDHXFCSA-N 1 2 332.404 0.033 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1O ZINC001077019241 757949608 /nfs/dbraw/zinc/94/96/08/757949608.db2.gz OQLOMSZRIJKYDI-FPCVCCKLSA-N 1 2 334.420 0.063 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCCC(=O)N(C)C)nn2)C1 ZINC001107230007 757993157 /nfs/dbraw/zinc/99/31/57/757993157.db2.gz XHYGCAUZQICLRS-UHFFFAOYSA-N 1 2 334.424 0.196 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)[C@]12C[C@H]1COC2 ZINC001077030615 757994645 /nfs/dbraw/zinc/99/46/45/757994645.db2.gz VAMIUUSQTOVKFG-FAJBIJEISA-N 1 2 326.396 0.236 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)[C@]12C[C@H]1COC2 ZINC001077030615 757994656 /nfs/dbraw/zinc/99/46/56/757994656.db2.gz VAMIUUSQTOVKFG-FAJBIJEISA-N 1 2 326.396 0.236 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CNC(=O)[C@@H](C)CC)nn2)C1 ZINC001107235179 758020823 /nfs/dbraw/zinc/02/08/23/758020823.db2.gz CTYHWHSRUPGMOI-LBPRGKRZSA-N 1 2 334.424 0.099 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001049126041 758048385 /nfs/dbraw/zinc/04/83/85/758048385.db2.gz OXZHIJRGYRSEON-RLFYNMQTSA-N 1 2 348.447 0.906 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCN(C(=O)Cc3c[nH+]cn3C)CC2)c1 ZINC001011646805 758205357 /nfs/dbraw/zinc/20/53/57/758205357.db2.gz YWKHIMBKNRGUJD-UHFFFAOYSA-N 1 2 337.383 0.324 20 30 ECEDLO C[C@@H](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)NC(=O)CSCC#N ZINC001077113845 758217528 /nfs/dbraw/zinc/21/75/28/758217528.db2.gz BEMILHWURCIZLL-STQMWFEESA-N 1 2 349.460 0.713 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001077115843 758224755 /nfs/dbraw/zinc/22/47/55/758224755.db2.gz AYNHIEMFYTZHRU-GJZGRUSLSA-N 1 2 346.431 0.496 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC(F)(F)F)n2)C1 ZINC001077185271 758443922 /nfs/dbraw/zinc/44/39/22/758443922.db2.gz SVEIWBNVOZSQOS-VXGBXAGGSA-N 1 2 330.310 0.244 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC(F)(F)F)n2)C1 ZINC001077185271 758443927 /nfs/dbraw/zinc/44/39/27/758443927.db2.gz SVEIWBNVOZSQOS-VXGBXAGGSA-N 1 2 330.310 0.244 20 30 ECEDLO N#Cc1nccc(NC/C=C/CNC(=O)[C@H]2CCn3cc[nH+]c3C2)n1 ZINC001107394667 758451428 /nfs/dbraw/zinc/45/14/28/758451428.db2.gz NXKYINNXHUPZKQ-AORQRIRUSA-N 1 2 337.387 0.314 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnc(CC)o2)CC1 ZINC000996687560 758475374 /nfs/dbraw/zinc/47/53/74/758475374.db2.gz XQXUFYSZUHCSGN-HNNXBMFYSA-N 1 2 345.447 0.810 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nnnn1C)CC2 ZINC001107401567 758499740 /nfs/dbraw/zinc/49/97/40/758499740.db2.gz UNMWXYGHWSITIB-JJRVBVJISA-N 1 2 346.435 0.109 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nnnn1C)CC2 ZINC001107401567 758499743 /nfs/dbraw/zinc/49/97/43/758499743.db2.gz UNMWXYGHWSITIB-JJRVBVJISA-N 1 2 346.435 0.109 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H]2C)nn1 ZINC001011761051 758507040 /nfs/dbraw/zinc/50/70/40/758507040.db2.gz JFCVZIHPSIVOOK-NWDGAFQWSA-N 1 2 343.391 0.149 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001049321022 758517023 /nfs/dbraw/zinc/51/70/23/758517023.db2.gz GIDLUPQWWRPKQR-RDBSUJKOSA-N 1 2 334.420 0.585 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1nnn(C(C)(C)C)n1 ZINC001032317870 758547803 /nfs/dbraw/zinc/54/78/03/758547803.db2.gz CUKXVALPBAOUBI-AGIUHOORSA-N 1 2 331.424 0.415 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1nnn(C(C)(C)C)n1 ZINC001032317870 758547808 /nfs/dbraw/zinc/54/78/08/758547808.db2.gz CUKXVALPBAOUBI-AGIUHOORSA-N 1 2 331.424 0.415 20 30 ECEDLO O=C(C[NH2+]CCNC(=O)C(F)C(F)(F)F)NCC(F)(F)F ZINC001127773361 758557533 /nfs/dbraw/zinc/55/75/33/758557533.db2.gz QGJWCEUZDQFWHM-LURJTMIESA-N 1 2 327.200 0.271 20 30 ECEDLO O=C(C[NH2+]CCNC(=O)[C@H](F)C(F)(F)F)NCC(F)(F)F ZINC001127773361 758557537 /nfs/dbraw/zinc/55/75/37/758557537.db2.gz QGJWCEUZDQFWHM-LURJTMIESA-N 1 2 327.200 0.271 20 30 ECEDLO CNC(=O)c1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C)C#N)c1 ZINC001032318341 758571442 /nfs/dbraw/zinc/57/14/42/758571442.db2.gz MVFHPKJJMJFIKY-KCXAZCMYSA-N 1 2 326.400 0.991 20 30 ECEDLO CNC(=O)c1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C)C#N)c1 ZINC001032318341 758571449 /nfs/dbraw/zinc/57/14/49/758571449.db2.gz MVFHPKJJMJFIKY-KCXAZCMYSA-N 1 2 326.400 0.991 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)n([C@@H](C)C3CC3)n2)C1 ZINC001077273687 758661323 /nfs/dbraw/zinc/66/13/23/758661323.db2.gz DDDQOCNNJHMPGL-IAOVAPTHSA-N 1 2 330.432 0.961 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)n([C@@H](C)C3CC3)n2)C1 ZINC001077273687 758661327 /nfs/dbraw/zinc/66/13/27/758661327.db2.gz DDDQOCNNJHMPGL-IAOVAPTHSA-N 1 2 330.432 0.961 20 30 ECEDLO N#Cc1nccnc1N1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001049464765 758758607 /nfs/dbraw/zinc/75/86/07/758758607.db2.gz FXEOYGDPLLPHOH-OLZOCXBDSA-N 1 2 337.387 0.599 20 30 ECEDLO N#Cc1cncc(N2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]3C2)n1 ZINC001049465171 758759068 /nfs/dbraw/zinc/75/90/68/758759068.db2.gz OWMZVMCBGMDUBN-OLZOCXBDSA-N 1 2 337.387 0.599 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001011913208 758930892 /nfs/dbraw/zinc/93/08/92/758930892.db2.gz NALCKIZNPCEWSQ-SMDDNHRTSA-N 1 2 340.387 0.582 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncsc2C(F)(F)F)C1 ZINC001077382285 758950043 /nfs/dbraw/zinc/95/00/43/758950043.db2.gz PHVZRKGHXMRKMR-RKDXNWHRSA-N 1 2 333.335 0.960 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncsc2C(F)(F)F)C1 ZINC001077382285 758950048 /nfs/dbraw/zinc/95/00/48/758950048.db2.gz PHVZRKGHXMRKMR-RKDXNWHRSA-N 1 2 333.335 0.960 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cccc(-n3ccnc3)n2)[C@@H](O)C1 ZINC001083591090 759146217 /nfs/dbraw/zinc/14/62/17/759146217.db2.gz KPYVYMZELXNIQZ-CABCVRRESA-N 1 2 325.372 0.066 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(-n3ccnc3)n2)[C@@H](O)C1 ZINC001083591090 759146225 /nfs/dbraw/zinc/14/62/25/759146225.db2.gz KPYVYMZELXNIQZ-CABCVRRESA-N 1 2 325.372 0.066 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001014440261 762691556 /nfs/dbraw/zinc/69/15/56/762691556.db2.gz WFZVXKUBROVMJW-NSHDSACASA-N 1 2 327.812 0.715 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001014440261 762691558 /nfs/dbraw/zinc/69/15/58/762691558.db2.gz WFZVXKUBROVMJW-NSHDSACASA-N 1 2 327.812 0.715 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C)cn1 ZINC001012009817 759192369 /nfs/dbraw/zinc/19/23/69/759192369.db2.gz YAMMYQTUFGZBJX-IUODEOHRSA-N 1 2 337.383 0.748 20 30 ECEDLO C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001049831954 759268213 /nfs/dbraw/zinc/26/82/13/759268213.db2.gz RMGXBKUVDHSUPZ-OWCLPIDISA-N 1 2 338.473 0.900 20 30 ECEDLO C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001049831954 759268219 /nfs/dbraw/zinc/26/82/19/759268219.db2.gz RMGXBKUVDHSUPZ-OWCLPIDISA-N 1 2 338.473 0.900 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C)OCCc3ccccc32)C1 ZINC001047648283 759405717 /nfs/dbraw/zinc/40/57/17/759405717.db2.gz WZUPJUUJSJJZFW-JENIJYKNSA-N 1 2 328.412 0.611 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(C)OCCc3ccccc32)C1 ZINC001047648283 759405723 /nfs/dbraw/zinc/40/57/23/759405723.db2.gz WZUPJUUJSJJZFW-JENIJYKNSA-N 1 2 328.412 0.611 20 30 ECEDLO COCCc1noc(C[NH2+][C@H]2CN(C(=O)[C@@H](C)C#N)CC2(C)C)n1 ZINC000995563794 759777576 /nfs/dbraw/zinc/77/75/76/759777576.db2.gz QCJQFJDBSKBBNT-RYUDHWBXSA-N 1 2 335.408 0.745 20 30 ECEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3COCCN3C(C)=O)cc2C1 ZINC001054292823 767901303 /nfs/dbraw/zinc/90/13/03/767901303.db2.gz VOSHFSARTJMNBS-SFHVURJKSA-N 1 2 341.411 0.499 20 30 ECEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3COCCN3C(C)=O)cc2C1 ZINC001054292823 767901307 /nfs/dbraw/zinc/90/13/07/767901307.db2.gz VOSHFSARTJMNBS-SFHVURJKSA-N 1 2 341.411 0.499 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](OCC)C3CC3)C2)nn1 ZINC001098672795 759995737 /nfs/dbraw/zinc/99/57/37/759995737.db2.gz JBZBNVZYYARVRW-DLBZAZTESA-N 1 2 345.447 0.980 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001012444691 760012725 /nfs/dbraw/zinc/01/27/25/760012725.db2.gz CYSSUOFKSIBAHX-MFKMUULPSA-N 1 2 326.360 0.571 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3cccnc3)nn2)C1 ZINC001107116819 760434346 /nfs/dbraw/zinc/43/43/46/760434346.db2.gz FVWZKISRHYVJCW-UHFFFAOYSA-N 1 2 342.403 0.662 20 30 ECEDLO C[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@H]2CNc2nccnc2C#N)C1 ZINC001060224840 760464956 /nfs/dbraw/zinc/46/49/56/760464956.db2.gz AEMISJVNWHYZCD-ZFWWWQNUSA-N 1 2 344.419 0.472 20 30 ECEDLO C[N@H+]1CCO[C@H](C(=O)N2CCCC[C@H]2CNc2nccnc2C#N)C1 ZINC001060224840 760464962 /nfs/dbraw/zinc/46/49/62/760464962.db2.gz AEMISJVNWHYZCD-ZFWWWQNUSA-N 1 2 344.419 0.472 20 30 ECEDLO C#CC[N@@H+]1CC[C@]2(NC(=O)C3CC4(C3)CS(=O)(=O)C4)CCC[C@@H]12 ZINC000991358206 760466497 /nfs/dbraw/zinc/46/64/97/760466497.db2.gz HUMYIHSHRQRRTA-RHSMWYFYSA-N 1 2 336.457 0.558 20 30 ECEDLO C#CC[N@H+]1CC[C@]2(NC(=O)C3CC4(C3)CS(=O)(=O)C4)CCC[C@@H]12 ZINC000991358206 760466503 /nfs/dbraw/zinc/46/65/03/760466503.db2.gz HUMYIHSHRQRRTA-RHSMWYFYSA-N 1 2 336.457 0.558 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCn3cncn3)nn2)C1 ZINC001107129276 760520336 /nfs/dbraw/zinc/52/03/36/760520336.db2.gz PTFKBDPCPWGRKB-UHFFFAOYSA-N 1 2 330.396 0.009 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001050579396 760525501 /nfs/dbraw/zinc/52/55/01/760525501.db2.gz BARMRSWVKINRIY-GJZGRUSLSA-N 1 2 346.431 0.735 20 30 ECEDLO CC(C)C#CC(=O)N1CC[C@H]([C@@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001050672608 760652364 /nfs/dbraw/zinc/65/23/64/760652364.db2.gz KMMOABQAZRDZBK-CABCVRRESA-N 1 2 330.432 0.975 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001060235441 760813722 /nfs/dbraw/zinc/81/37/22/760813722.db2.gz NKTBPNRLKQBXNY-CXAGYDPISA-N 1 2 334.420 0.634 20 30 ECEDLO CN(CCOCCNc1nccnc1C#N)C(=O)CCc1[nH]cc[nH+]1 ZINC001127300704 767984300 /nfs/dbraw/zinc/98/43/00/767984300.db2.gz RDGWORXXMYNTQA-UHFFFAOYSA-N 1 2 343.391 0.591 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cn1cc[nH+]c1 ZINC001013032008 760977206 /nfs/dbraw/zinc/97/72/06/760977206.db2.gz KOSOKQXNTAXGSS-WCQYABFASA-N 1 2 326.360 0.502 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2CC[C@H]2CCCO2)[nH]1 ZINC001050872108 761044894 /nfs/dbraw/zinc/04/48/94/761044894.db2.gz JZFUDESKHRNNBF-LSDHHAIUSA-N 1 2 332.404 0.886 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2CC[C@H]2CCCO2)[nH]1 ZINC001050872108 761044903 /nfs/dbraw/zinc/04/49/03/761044903.db2.gz JZFUDESKHRNNBF-LSDHHAIUSA-N 1 2 332.404 0.886 20 30 ECEDLO Cc1cc(NC(=O)C[N@@H+]2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)on1 ZINC001048727881 761055513 /nfs/dbraw/zinc/05/55/13/761055513.db2.gz OHMPMYJHJGKTML-RTXFEEFZSA-N 1 2 331.376 0.471 20 30 ECEDLO Cc1cc(NC(=O)C[N@H+]2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)on1 ZINC001048727881 761055522 /nfs/dbraw/zinc/05/55/22/761055522.db2.gz OHMPMYJHJGKTML-RTXFEEFZSA-N 1 2 331.376 0.471 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)CC)C[C@H]1OC ZINC001212146560 761209698 /nfs/dbraw/zinc/20/96/98/761209698.db2.gz SVJINTUZBFMVLA-ARFHVFGLSA-N 1 2 337.464 0.910 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N[C@@H](C)CC)C[C@H]1OC ZINC001212146560 761209702 /nfs/dbraw/zinc/20/97/02/761209702.db2.gz SVJINTUZBFMVLA-ARFHVFGLSA-N 1 2 337.464 0.910 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc2c(c1)nnn2C ZINC001050986719 761278752 /nfs/dbraw/zinc/27/87/52/761278752.db2.gz NDXZCPXDIFNWIF-AWEZNQCLSA-N 1 2 329.404 0.975 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc2c(c1)nnn2C ZINC001050986719 761278757 /nfs/dbraw/zinc/27/87/57/761278757.db2.gz NDXZCPXDIFNWIF-AWEZNQCLSA-N 1 2 329.404 0.975 20 30 ECEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H](COC)OC)CC2)C1 ZINC001105723887 761338720 /nfs/dbraw/zinc/33/87/20/761338720.db2.gz JJKUKPTXUKQHJE-INIZCTEOSA-N 1 2 326.437 0.916 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@@H]([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001051016917 761343107 /nfs/dbraw/zinc/34/31/07/761343107.db2.gz ILIAKKIYPLQNHK-UONOGXRCSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@@H]([C@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001051019187 761348271 /nfs/dbraw/zinc/34/82/71/761348271.db2.gz VDRHDHDOFKIROZ-LSDHHAIUSA-N 1 2 348.447 0.909 20 30 ECEDLO C#CCCN1CCOC[C@H]1CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001051045909 761386636 /nfs/dbraw/zinc/38/66/36/761386636.db2.gz GNTCHNFMFQEPJV-MSOLQXFVSA-N 1 2 349.475 0.328 20 30 ECEDLO C#CCCN1CCOC[C@H]1CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001051045909 761386646 /nfs/dbraw/zinc/38/66/46/761386646.db2.gz GNTCHNFMFQEPJV-MSOLQXFVSA-N 1 2 349.475 0.328 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C)nc1 ZINC001013469487 761456696 /nfs/dbraw/zinc/45/66/96/761456696.db2.gz MGHVTZHLGFJIAU-HIFRSBDPSA-N 1 2 337.383 0.679 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2COCC[N@@H+]2C[C@@H]2CCCOC2)nn1 ZINC001051156564 761579482 /nfs/dbraw/zinc/57/94/82/761579482.db2.gz UFIRXRDERZAXST-LSDHHAIUSA-N 1 2 349.435 0.321 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2COCC[N@H+]2C[C@@H]2CCCOC2)nn1 ZINC001051156564 761579488 /nfs/dbraw/zinc/57/94/88/761579488.db2.gz UFIRXRDERZAXST-LSDHHAIUSA-N 1 2 349.435 0.321 20 30 ECEDLO C#CCOc1ncccc1C(=O)NC[C@@H]1COCC[N@@H+]1CC1CC1 ZINC001051217161 761708229 /nfs/dbraw/zinc/70/82/29/761708229.db2.gz QMIHVYISKFBDJU-OAHLLOKOSA-N 1 2 329.400 0.934 20 30 ECEDLO C#CCOc1ncccc1C(=O)NC[C@@H]1COCC[N@H+]1CC1CC1 ZINC001051217161 761708235 /nfs/dbraw/zinc/70/82/35/761708235.db2.gz QMIHVYISKFBDJU-OAHLLOKOSA-N 1 2 329.400 0.934 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc2nnn(C)c2c1 ZINC001051227658 761721838 /nfs/dbraw/zinc/72/18/38/761721838.db2.gz QNHCFAKSTGBMTH-AWEZNQCLSA-N 1 2 329.404 0.975 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc2nnn(C)c2c1 ZINC001051227658 761721844 /nfs/dbraw/zinc/72/18/44/761721844.db2.gz QNHCFAKSTGBMTH-AWEZNQCLSA-N 1 2 329.404 0.975 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001060286790 761789458 /nfs/dbraw/zinc/78/94/58/761789458.db2.gz SMFYNGZEPIOUGD-KGLIPLIRSA-N 1 2 331.420 0.867 20 30 ECEDLO N#Cc1ccc(C(=O)NCc2cccc3c2CC[N@@H+](CC(N)=O)C3)[nH]1 ZINC001051285474 761826199 /nfs/dbraw/zinc/82/61/99/761826199.db2.gz MUHOJHDJNRMXMT-UHFFFAOYSA-N 1 2 337.383 0.660 20 30 ECEDLO N#Cc1ccc(C(=O)NCc2cccc3c2CC[N@H+](CC(N)=O)C3)[nH]1 ZINC001051285474 761826206 /nfs/dbraw/zinc/82/62/06/761826206.db2.gz MUHOJHDJNRMXMT-UHFFFAOYSA-N 1 2 337.383 0.660 20 30 ECEDLO C=CCOCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001051312834 761867797 /nfs/dbraw/zinc/86/77/97/761867797.db2.gz YPNYVAHGSTWXCP-GXTWGEPZSA-N 1 2 334.420 0.816 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NC[C@H](O)CNc1ncc(C#N)cc1Cl ZINC001105914248 762713968 /nfs/dbraw/zinc/71/39/68/762713968.db2.gz RKLXVJWQNMNLTI-LBPRGKRZSA-N 1 2 348.794 0.472 20 30 ECEDLO N#Cc1cnc(N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](O)C2)c(F)c1 ZINC001051718410 762789401 /nfs/dbraw/zinc/78/94/01/762789401.db2.gz OJPGPRLIVNGUMG-CHWSQXEVSA-N 1 2 344.350 0.114 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CC2(O)CCC2)C1=O ZINC001017539251 768095077 /nfs/dbraw/zinc/09/50/77/768095077.db2.gz WOKBNQNVPBDGCO-OWCLPIDISA-N 1 2 347.459 0.754 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CC2(O)CCC2)C1=O ZINC001017539251 768095085 /nfs/dbraw/zinc/09/50/85/768095085.db2.gz WOKBNQNVPBDGCO-OWCLPIDISA-N 1 2 347.459 0.754 20 30 ECEDLO Cc1nc(N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](O)C2)ccc1C#N ZINC001051787458 762959358 /nfs/dbraw/zinc/95/93/58/762959358.db2.gz AAJRALNAMAXJGF-HUUCEWRRSA-N 1 2 340.387 0.283 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@H](O)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001105970120 763122397 /nfs/dbraw/zinc/12/23/97/763122397.db2.gz AILZGRBBHCTQED-UONOGXRCSA-N 1 2 334.420 0.836 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001105970837 763128785 /nfs/dbraw/zinc/12/87/85/763128785.db2.gz NMNFJKXJAGAQPF-TZMCWYRMSA-N 1 2 332.404 0.590 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001046936946 763419768 /nfs/dbraw/zinc/41/97/68/763419768.db2.gz ZBLPYGGHTGWAJW-NXEZZACHSA-N 1 2 337.754 0.921 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001046936946 763419778 /nfs/dbraw/zinc/41/97/78/763419778.db2.gz ZBLPYGGHTGWAJW-NXEZZACHSA-N 1 2 337.754 0.921 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CC[C@@H]3C(N)=O)C2)cc1F ZINC001031896109 763431623 /nfs/dbraw/zinc/43/16/23/763431623.db2.gz BSLNUINSGXFGLC-GJZGRUSLSA-N 1 2 344.390 0.757 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001046964053 763473955 /nfs/dbraw/zinc/47/39/55/763473955.db2.gz YHHHYTQOARTQPO-GHMZBOCLSA-N 1 2 335.782 0.948 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001046964053 763473958 /nfs/dbraw/zinc/47/39/58/763473958.db2.gz YHHHYTQOARTQPO-GHMZBOCLSA-N 1 2 335.782 0.948 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001046968736 763486460 /nfs/dbraw/zinc/48/64/60/763486460.db2.gz NMTZJXMPAOCTQH-UWVGGRQHSA-N 1 2 336.770 0.494 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001046968736 763486461 /nfs/dbraw/zinc/48/64/61/763486461.db2.gz NMTZJXMPAOCTQH-UWVGGRQHSA-N 1 2 336.770 0.494 20 30 ECEDLO Cc1noc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)n1 ZINC001051997981 763550136 /nfs/dbraw/zinc/55/01/36/763550136.db2.gz LNWBELYQWZSLTO-JSGCOSHPSA-N 1 2 332.408 0.256 20 30 ECEDLO Cc1nnc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)o1 ZINC001051998194 763550340 /nfs/dbraw/zinc/55/03/40/763550340.db2.gz OVOBRRHORCTDOF-TZMCWYRMSA-N 1 2 332.408 0.256 20 30 ECEDLO Cc1nonc1CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001051998127 763550496 /nfs/dbraw/zinc/55/04/96/763550496.db2.gz NNQGAOOVIPFKJM-GXTWGEPZSA-N 1 2 332.408 0.256 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)n3cncn3)C2)CC1 ZINC001052017898 763595708 /nfs/dbraw/zinc/59/57/08/763595708.db2.gz YCOMAQQHRVZWGP-JKSUJKDBSA-N 1 2 332.452 0.634 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)CC3OCCCO3)C2)CC1 ZINC001052019485 763600353 /nfs/dbraw/zinc/60/03/53/763600353.db2.gz ZZZWVWCWTCEUQI-MRXNPFEDSA-N 1 2 335.448 0.381 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(-n3cccn3)ccn2)[C@@H](O)C1 ZINC001083770623 763605497 /nfs/dbraw/zinc/60/54/97/763605497.db2.gz SARXZTRKBMFBRG-CVEARBPZSA-N 1 2 325.372 0.066 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(-n3cccn3)ccn2)[C@@H](O)C1 ZINC001083770623 763605506 /nfs/dbraw/zinc/60/55/06/763605506.db2.gz SARXZTRKBMFBRG-CVEARBPZSA-N 1 2 325.372 0.066 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]([NH+]2CCN(Cc3ncccn3)CC2)C1 ZINC001052025761 763617467 /nfs/dbraw/zinc/61/74/67/763617467.db2.gz JMWLBOPZBYCNDF-QGZVFWFLSA-N 1 2 339.443 0.609 20 30 ECEDLO Cn1cncc1CN1CC[NH+]([C@@H]2CCN(C(=O)C#CC3CC3)C2)CC1 ZINC001052026801 763619869 /nfs/dbraw/zinc/61/98/69/763619869.db2.gz UARCSEZUTRXTOG-QGZVFWFLSA-N 1 2 341.459 0.552 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccn(CC)n3)C2)CC1 ZINC001052031854 763634026 /nfs/dbraw/zinc/63/40/26/763634026.db2.gz YWRMOAMOLMCHEI-GOSISDBHSA-N 1 2 343.475 0.687 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn4ccncc34)C2)CC1 ZINC001052035558 763643000 /nfs/dbraw/zinc/64/30/00/763643000.db2.gz DOPCTXFBDJVUFX-OAHLLOKOSA-N 1 2 338.415 0.195 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)CC1 ZINC001052036034 763646409 /nfs/dbraw/zinc/64/64/09/763646409.db2.gz XJUFRRUBBVWGAW-CVEARBPZSA-N 1 2 334.464 0.259 20 30 ECEDLO COc1cnc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)c(F)c1 ZINC001052036636 763649389 /nfs/dbraw/zinc/64/93/89/763649389.db2.gz RBMYHKMTKHRSKZ-ZDUSSCGKSA-N 1 2 347.394 0.585 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CCN(C(=O)C#CC3CC3)C1)C2 ZINC000941229841 763670575 /nfs/dbraw/zinc/67/05/75/763670575.db2.gz OGEMFGBSWIDJNA-HUUCEWRRSA-N 1 2 340.427 0.954 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CCN(C(=O)C#CC3CC3)C1)CC2 ZINC000941229841 763670580 /nfs/dbraw/zinc/67/05/80/763670580.db2.gz OGEMFGBSWIDJNA-HUUCEWRRSA-N 1 2 340.427 0.954 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccc(C(N)=O)c3)C2)CC1 ZINC001052044924 763681389 /nfs/dbraw/zinc/68/13/89/763681389.db2.gz NSGHXIKKKICLPT-KRWDZBQOSA-N 1 2 340.427 0.251 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)C2)CC1 ZINC001052047044 763688346 /nfs/dbraw/zinc/68/83/46/763688346.db2.gz HNDOMJSOEADOKI-MSOLQXFVSA-N 1 2 346.475 0.097 20 30 ECEDLO CCOc1nc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)co1 ZINC001052047505 763691367 /nfs/dbraw/zinc/69/13/67/763691367.db2.gz PBUCYLNDEAZZDB-ZDUSSCGKSA-N 1 2 333.392 0.429 20 30 ECEDLO CN(C)c1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)cn1 ZINC001052047861 763692720 /nfs/dbraw/zinc/69/27/20/763692720.db2.gz CZEPIHPREZMLIN-MRXNPFEDSA-N 1 2 342.447 0.503 20 30 ECEDLO N#Cc1cccnc1NC[C@@H](O)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001106016801 763700641 /nfs/dbraw/zinc/70/06/41/763700641.db2.gz XTXOPQXGEWEYRT-DZGCQCFKSA-N 1 2 340.387 0.301 20 30 ECEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cn1 ZINC001106016766 763700862 /nfs/dbraw/zinc/70/08/62/763700862.db2.gz XBPFXAPCEVXNLX-IUODEOHRSA-N 1 2 340.387 0.301 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCCN1C(=O)c1c[nH]c(C#N)c1 ZINC001015036981 763720553 /nfs/dbraw/zinc/72/05/53/763720553.db2.gz SXNKWOSORKGCBM-IUODEOHRSA-N 1 2 340.387 0.892 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCCN1C(=O)c1cc(C#N)c[nH]1 ZINC001015037337 763721689 /nfs/dbraw/zinc/72/16/89/763721689.db2.gz VROFUPQNJPOZCZ-OCCSQVGLSA-N 1 2 340.387 0.892 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN([C@@H](C)C(=O)NC)CC2)C1 ZINC001052062751 763747032 /nfs/dbraw/zinc/74/70/32/763747032.db2.gz NKZCOJWHUOFCIA-GJZGRUSLSA-N 1 2 336.480 0.552 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H](N2CC[NH+]([C@@H](C)C(=O)NC)CC2)C1 ZINC001052062751 763747034 /nfs/dbraw/zinc/74/70/34/763747034.db2.gz NKZCOJWHUOFCIA-GJZGRUSLSA-N 1 2 336.480 0.552 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(CC(=O)N(C)C)CC2)C1 ZINC001052063113 763748485 /nfs/dbraw/zinc/74/84/85/763748485.db2.gz SMJLVQMYUOKQDT-OAHLLOKOSA-N 1 2 336.480 0.505 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)c3csc(=O)[nH]3)C2)CC1 ZINC001052068078 763760522 /nfs/dbraw/zinc/76/05/22/763760522.db2.gz UXZQZLUTVPEIMQ-ZDUSSCGKSA-N 1 2 334.445 0.704 20 30 ECEDLO C=C1CCC(C(=O)N2CC[C@H]([NH+]3CCN(CC(=O)NC)CC3)C2)CC1 ZINC001052073823 763778453 /nfs/dbraw/zinc/77/84/53/763778453.db2.gz PKQUBXRSTMLANH-KRWDZBQOSA-N 1 2 348.491 0.697 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([NH+]2CCN(CC(=O)NC)CC2)C1 ZINC001052078069 763788649 /nfs/dbraw/zinc/78/86/49/763788649.db2.gz ZADCSYVGDOKHIS-CRAIPNDOSA-N 1 2 336.480 0.553 20 30 ECEDLO CCc1c(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)nnn1CC ZINC001052079479 763792983 /nfs/dbraw/zinc/79/29/83/763792983.db2.gz AMEWZYUCOVYGDA-AWEZNQCLSA-N 1 2 345.451 0.216 20 30 ECEDLO CCOc1cc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)ccn1 ZINC001052080923 763796476 /nfs/dbraw/zinc/79/64/76/763796476.db2.gz HZLFFTBKTNBFRW-INIZCTEOSA-N 1 2 343.431 0.836 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@H](N3CC[NH+]([C@H](CC)C(N)=O)CC3)C2)C1 ZINC001052082144 763801014 /nfs/dbraw/zinc/80/10/14/763801014.db2.gz RBNYDRSEXCQBMI-HZPDHXFCSA-N 1 2 348.491 0.825 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([NH+]3CCN([C@H](CC)C(N)=O)CC3)C2)C1 ZINC001052082144 763801020 /nfs/dbraw/zinc/80/10/20/763801020.db2.gz RBNYDRSEXCQBMI-HZPDHXFCSA-N 1 2 348.491 0.825 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@@H](N3CC[NH+](CC#CC)CC3)C2)c1 ZINC001052082848 763802831 /nfs/dbraw/zinc/80/28/31/763802831.db2.gz XRGJMZHCJICMTF-LJQANCHMSA-N 1 2 336.439 0.918 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3nccn4ccnc34)C2)CC1 ZINC001052085702 763811981 /nfs/dbraw/zinc/81/19/81/763811981.db2.gz JUKAQQSQHZVYBI-AWEZNQCLSA-N 1 2 339.403 0.085 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)Cn3ccc(C)n3)C2)CC1 ZINC001052085986 763812211 /nfs/dbraw/zinc/81/22/11/763812211.db2.gz LXSLZVZXHSGNNO-QGZVFWFLSA-N 1 2 329.448 0.433 20 30 ECEDLO CC(C)c1cc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)[nH]n1 ZINC001052087351 763818379 /nfs/dbraw/zinc/81/83/79/763818379.db2.gz TZQFFWTZNGCHME-AWEZNQCLSA-N 1 2 330.436 0.889 20 30 ECEDLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[C@H](C)NC(=O)C#CC1CC1 ZINC001077473338 763830413 /nfs/dbraw/zinc/83/04/13/763830413.db2.gz OUPIMZATPVJVFQ-DOTOQJQBSA-N 1 2 349.475 0.912 20 30 ECEDLO CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[C@H](C)NC(=O)C#CC1CC1 ZINC001077473338 763830417 /nfs/dbraw/zinc/83/04/17/763830417.db2.gz OUPIMZATPVJVFQ-DOTOQJQBSA-N 1 2 349.475 0.912 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1 ZINC001052091720 763831750 /nfs/dbraw/zinc/83/17/50/763831750.db2.gz KRPFGFUBEUXKCS-TVFCKZIOSA-N 1 2 331.460 0.796 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cscn3)C2)CC1 ZINC001052093002 763834942 /nfs/dbraw/zinc/83/49/42/763834942.db2.gz IIMLLDMQCCKZQZ-MRXNPFEDSA-N 1 2 332.473 0.927 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)COC3CCOCC3)C2)CC1 ZINC001052094633 763840638 /nfs/dbraw/zinc/84/06/38/763840638.db2.gz WULDGBFTTBCHRA-KRWDZBQOSA-N 1 2 349.475 0.424 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)CC1 ZINC001052109898 763898522 /nfs/dbraw/zinc/89/85/22/763898522.db2.gz JQBHTPXUWSAISG-KGLIPLIRSA-N 1 2 340.855 0.236 20 30 ECEDLO Cc1nn(C)c(F)c1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052112681 763907345 /nfs/dbraw/zinc/90/73/45/763907345.db2.gz CUKKJGJCKANCCH-ZDUSSCGKSA-N 1 2 334.399 0.223 20 30 ECEDLO Cc1nn(C)c(F)c1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052112680 763907708 /nfs/dbraw/zinc/90/77/08/763907708.db2.gz CUKKJGJCKANCCH-CYBMUJFWSA-N 1 2 334.399 0.223 20 30 ECEDLO CN(C(=O)Cn1cccn1)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047304696 763935965 /nfs/dbraw/zinc/93/59/65/763935965.db2.gz QFOMCCIMXZZQJA-ROUUACIJSA-N 1 2 338.411 0.438 20 30 ECEDLO CN(C(=O)Cn1cccn1)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047304696 763935971 /nfs/dbraw/zinc/93/59/71/763935971.db2.gz QFOMCCIMXZZQJA-ROUUACIJSA-N 1 2 338.411 0.438 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2c(C)nnn2CC)C1 ZINC001031987315 763993922 /nfs/dbraw/zinc/99/39/22/763993922.db2.gz HZQGSQLWHBMKKB-ZBFHGGJFSA-N 1 2 333.436 0.746 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1C(=O)c1c[nH]c(C#N)c1 ZINC001015172737 764067950 /nfs/dbraw/zinc/06/79/50/764067950.db2.gz GNVMGJCVJFZRBX-RISCZKNCSA-N 1 2 340.387 0.961 20 30 ECEDLO C=CCOCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001052220587 764079757 /nfs/dbraw/zinc/07/97/57/764079757.db2.gz KWKQCZWBBINQBQ-CABCVRRESA-N 1 2 348.447 0.766 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3c[nH]c4ncccc34)C2)nn1 ZINC001098784727 768190720 /nfs/dbraw/zinc/19/07/20/768190720.db2.gz KKUPLBHQRBVCBH-AWEZNQCLSA-N 1 2 349.398 0.964 20 30 ECEDLO Cn1ncc(C[N@@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC001052287366 764197572 /nfs/dbraw/zinc/19/75/72/764197572.db2.gz GYCICAOYEIKKTH-ZDUSSCGKSA-N 1 2 327.392 0.799 20 30 ECEDLO Cn1ncc(C[N@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC001052287366 764197577 /nfs/dbraw/zinc/19/75/77/764197577.db2.gz GYCICAOYEIKKTH-ZDUSSCGKSA-N 1 2 327.392 0.799 20 30 ECEDLO C=CCOCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001047399942 764220290 /nfs/dbraw/zinc/22/02/90/764220290.db2.gz WABFGEYQPVQVIJ-KKUMJFAQSA-N 1 2 346.431 0.959 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(F)cc2NC(C)=O)C1 ZINC001047401513 764225739 /nfs/dbraw/zinc/22/57/39/764225739.db2.gz UYKGAHNABZWDGD-HOTGVXAUSA-N 1 2 333.363 0.534 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(F)cc2NC(C)=O)C1 ZINC001047401513 764225743 /nfs/dbraw/zinc/22/57/43/764225743.db2.gz UYKGAHNABZWDGD-HOTGVXAUSA-N 1 2 333.363 0.534 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3cccnc3)c2)C1 ZINC001047407892 764251642 /nfs/dbraw/zinc/25/16/42/764251642.db2.gz RPWISOBDLHJCKP-HOTGVXAUSA-N 1 2 325.372 0.018 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3cccnc3)c2)C1 ZINC001047407892 764251647 /nfs/dbraw/zinc/25/16/47/764251647.db2.gz RPWISOBDLHJCKP-HOTGVXAUSA-N 1 2 325.372 0.018 20 30 ECEDLO C=CCn1cccc1C(=O)N(C)[C@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047409090 764254816 /nfs/dbraw/zinc/25/48/16/764254816.db2.gz PDYPKMSATUQFTR-KBMXLJTQSA-N 1 2 346.431 0.070 20 30 ECEDLO C=CCn1cccc1C(=O)N(C)[C@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047409090 764254824 /nfs/dbraw/zinc/25/48/24/764254824.db2.gz PDYPKMSATUQFTR-KBMXLJTQSA-N 1 2 346.431 0.070 20 30 ECEDLO C=CCOc1ccc(C(=O)N(C)[C@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@@H]2O)cc1 ZINC001047433319 764331494 /nfs/dbraw/zinc/33/14/94/764331494.db2.gz JHSIDTNGCPZFCF-RCBQFDQVSA-N 1 2 347.415 0.242 20 30 ECEDLO C=CCOc1ccc(C(=O)N(C)[C@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]2O)cc1 ZINC001047433319 764331502 /nfs/dbraw/zinc/33/15/02/764331502.db2.gz JHSIDTNGCPZFCF-RCBQFDQVSA-N 1 2 347.415 0.242 20 30 ECEDLO C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001052383562 764380927 /nfs/dbraw/zinc/38/09/27/764380927.db2.gz GOLZIUNPWOUNKO-STQMWFEESA-N 1 2 340.387 0.607 20 30 ECEDLO Cc1n[nH]nc1C(=O)N(C)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047479846 764467559 /nfs/dbraw/zinc/46/75/59/764467559.db2.gz ARTZLLUFUBQUII-STQMWFEESA-N 1 2 346.416 0.364 20 30 ECEDLO Cc1n[nH]nc1C(=O)N(C)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047479846 764467561 /nfs/dbraw/zinc/46/75/61/764467561.db2.gz ARTZLLUFUBQUII-STQMWFEESA-N 1 2 346.416 0.364 20 30 ECEDLO C[C@@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)CNC(=O)C1 ZINC001015374252 764469230 /nfs/dbraw/zinc/46/92/30/764469230.db2.gz BRHQULLTQIKULG-YJBOKZPZSA-N 1 2 326.400 0.775 20 30 ECEDLO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CNC(=O)C1 ZINC001015374252 764469233 /nfs/dbraw/zinc/46/92/33/764469233.db2.gz BRHQULLTQIKULG-YJBOKZPZSA-N 1 2 326.400 0.775 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cn(CC)cn3)C2)nn1 ZINC001098766525 764509902 /nfs/dbraw/zinc/50/99/02/764509902.db2.gz CRGFEFNKRBTJCE-OAHLLOKOSA-N 1 2 341.419 0.695 20 30 ECEDLO COc1ccnc(C(=N)Nc2cc(N3CCOCC3)[nH+]c(C)n2)n1 ZINC001168421190 764533587 /nfs/dbraw/zinc/53/35/87/764533587.db2.gz LTPUPPPRZTYAQM-UHFFFAOYSA-N 1 2 329.364 0.457 20 30 ECEDLO C=C1CCC(C(=O)N(C)[C@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@@H]2O)CC1 ZINC001047512490 764555587 /nfs/dbraw/zinc/55/55/87/764555587.db2.gz RUJWYULYOTUYGM-IRXDYDNUSA-N 1 2 349.475 0.857 20 30 ECEDLO C=C1CCC(C(=O)N(C)[C@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@@H]2O)CC1 ZINC001047512490 764555590 /nfs/dbraw/zinc/55/55/90/764555590.db2.gz RUJWYULYOTUYGM-IRXDYDNUSA-N 1 2 349.475 0.857 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1CNC(=O)CSCC#N ZINC001052473412 764579620 /nfs/dbraw/zinc/57/96/20/764579620.db2.gz YHWOSEGBYHDGKQ-OLZOCXBDSA-N 1 2 349.460 0.810 20 30 ECEDLO Cc1n[nH]cc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001077481342 764591323 /nfs/dbraw/zinc/59/13/23/764591323.db2.gz LZIIOOFIKKALRU-ZIAGYGMSSA-N 1 2 331.401 0.626 20 30 ECEDLO Cc1n[nH]cc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001077481342 764591328 /nfs/dbraw/zinc/59/13/28/764591328.db2.gz LZIIOOFIKKALRU-ZIAGYGMSSA-N 1 2 331.401 0.626 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCC(=O)NCCC)C2)nn1 ZINC001098767179 764601397 /nfs/dbraw/zinc/60/13/97/764601397.db2.gz KKBIIVWSRZPBCR-HNNXBMFYSA-N 1 2 346.435 0.081 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]nc(C(F)(F)F)c2C)C1 ZINC001047553830 764678140 /nfs/dbraw/zinc/67/81/40/764678140.db2.gz ZOWHNRZGXUTQJG-UWVGGRQHSA-N 1 2 330.310 0.487 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]nc(C(F)(F)F)c2C)C1 ZINC001047553830 764678141 /nfs/dbraw/zinc/67/81/41/764678141.db2.gz ZOWHNRZGXUTQJG-UWVGGRQHSA-N 1 2 330.310 0.487 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(OC3CCC3)c2)C1 ZINC001047580369 764761020 /nfs/dbraw/zinc/76/10/20/764761020.db2.gz HDLWABBKCKWFMG-HOTGVXAUSA-N 1 2 329.400 0.763 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(OC3CCC3)c2)C1 ZINC001047580369 764761025 /nfs/dbraw/zinc/76/10/25/764761025.db2.gz HDLWABBKCKWFMG-HOTGVXAUSA-N 1 2 329.400 0.763 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H](C)[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001052591552 764812092 /nfs/dbraw/zinc/81/20/92/764812092.db2.gz CHIWAJGLYQTGMS-GJZGRUSLSA-N 1 2 332.404 0.134 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H](C)[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001052598759 764827112 /nfs/dbraw/zinc/82/71/12/764827112.db2.gz IVMFENFEZHBRCC-LSDHHAIUSA-N 1 2 346.431 0.593 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H](C)[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001052598759 764827122 /nfs/dbraw/zinc/82/71/22/764827122.db2.gz IVMFENFEZHBRCC-LSDHHAIUSA-N 1 2 346.431 0.593 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@H+](Cc3cncs3)C[C@@H]2O)cn1 ZINC001047599325 764837206 /nfs/dbraw/zinc/83/72/06/764837206.db2.gz RLWXASQEXUNSIS-HOTGVXAUSA-N 1 2 342.424 0.837 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](Cc3cncs3)C[C@@H]2O)cn1 ZINC001047599325 764837210 /nfs/dbraw/zinc/83/72/10/764837210.db2.gz RLWXASQEXUNSIS-HOTGVXAUSA-N 1 2 342.424 0.837 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@H+](Cc3cc(C)no3)C[C@@H]2O)nc1 ZINC001047600541 764842222 /nfs/dbraw/zinc/84/22/22/764842222.db2.gz QWIOKMSXICLCHW-IRXDYDNUSA-N 1 2 340.383 0.677 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](Cc3cc(C)no3)C[C@@H]2O)nc1 ZINC001047600541 764842228 /nfs/dbraw/zinc/84/22/28/764842228.db2.gz QWIOKMSXICLCHW-IRXDYDNUSA-N 1 2 340.383 0.677 20 30 ECEDLO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3ccoc3)[nH]n2)C1 ZINC001047629175 764931294 /nfs/dbraw/zinc/93/12/94/764931294.db2.gz YNSPIUDAVAVNCI-HOTGVXAUSA-N 1 2 328.372 0.810 20 30 ECEDLO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-c3ccoc3)[nH]n2)C1 ZINC001047629175 764931301 /nfs/dbraw/zinc/93/13/01/764931301.db2.gz YNSPIUDAVAVNCI-HOTGVXAUSA-N 1 2 328.372 0.810 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3nc(=O)n(C)[nH]3)CC2)C1 ZINC001052691165 764995830 /nfs/dbraw/zinc/99/58/30/764995830.db2.gz SIOHLUKWEVQYQI-ZDUSSCGKSA-N 1 2 333.436 0.935 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3nc(=O)n(C)[nH]3)CC2)C1 ZINC001052691165 764995834 /nfs/dbraw/zinc/99/58/34/764995834.db2.gz SIOHLUKWEVQYQI-ZDUSSCGKSA-N 1 2 333.436 0.935 20 30 ECEDLO C=C(Cl)CN1CC(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001030718044 765109769 /nfs/dbraw/zinc/10/97/69/765109769.db2.gz JTGWATZVYQQULE-CABCVRRESA-N 1 2 343.855 0.419 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NC1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000992005310 765121107 /nfs/dbraw/zinc/12/11/07/765121107.db2.gz IXCVTCXSUIZKOU-UHFFFAOYSA-N 1 2 340.387 0.487 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)C2)c1 ZINC001015678627 765150539 /nfs/dbraw/zinc/15/05/39/765150539.db2.gz LGLJXBGJEMFOCF-GDBMZVCRSA-N 1 2 347.440 0.302 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)C2)c1 ZINC001015678627 765150543 /nfs/dbraw/zinc/15/05/43/765150543.db2.gz LGLJXBGJEMFOCF-GDBMZVCRSA-N 1 2 347.440 0.302 20 30 ECEDLO C=CCOCC(=O)NC[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001052813289 765167895 /nfs/dbraw/zinc/16/78/95/765167895.db2.gz GPZGCTROCBXUJS-KBPBESRZSA-N 1 2 334.420 0.756 20 30 ECEDLO C=CCOCC(=O)NC[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001052813289 765167899 /nfs/dbraw/zinc/16/78/99/765167899.db2.gz GPZGCTROCBXUJS-KBPBESRZSA-N 1 2 334.420 0.756 20 30 ECEDLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001015707692 765202370 /nfs/dbraw/zinc/20/23/70/765202370.db2.gz RXUTXCVFNUNACV-YESZJQIVSA-N 1 2 340.427 0.973 20 30 ECEDLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001015707692 765202374 /nfs/dbraw/zinc/20/23/74/765202374.db2.gz RXUTXCVFNUNACV-YESZJQIVSA-N 1 2 340.427 0.973 20 30 ECEDLO C=CCCOCC(=O)N1C[C@H](C)[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001052842147 765214298 /nfs/dbraw/zinc/21/42/98/765214298.db2.gz VODMSTDLZHERJH-KBPBESRZSA-N 1 2 334.420 0.756 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cnc(C)cn3)C2)nn1 ZINC001015810704 765370288 /nfs/dbraw/zinc/37/02/88/765370288.db2.gz PNFNRSSSBDQETG-ZDUSSCGKSA-N 1 2 327.392 0.567 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cnc(C)cn3)C2)nn1 ZINC001015810704 765370295 /nfs/dbraw/zinc/37/02/95/765370295.db2.gz PNFNRSSSBDQETG-ZDUSSCGKSA-N 1 2 327.392 0.567 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@]2(NC(=O)C(N)=O)CCC[C@@H]12 ZINC000992140675 765628991 /nfs/dbraw/zinc/62/89/91/765628991.db2.gz AOMNSTPYCKMVLT-RHSMWYFYSA-N 1 2 330.363 0.796 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@]2(NC(=O)C(N)=O)CCC[C@@H]12 ZINC000992140675 765628996 /nfs/dbraw/zinc/62/89/96/765628996.db2.gz AOMNSTPYCKMVLT-RHSMWYFYSA-N 1 2 330.363 0.796 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC000992155607 765693410 /nfs/dbraw/zinc/69/34/10/765693410.db2.gz PLDPIRTUBCKWCQ-FJBKBRRZSA-N 1 2 346.431 0.875 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCOC2(C[NH+](C[C@@H](C)OC)C2)C1 ZINC001053261013 765860153 /nfs/dbraw/zinc/86/01/53/765860153.db2.gz QMYHPETYXNZSPT-OAGGEKHMSA-N 1 2 338.448 0.916 20 30 ECEDLO NC(=O)c1nccnc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001016204193 765901510 /nfs/dbraw/zinc/90/15/10/765901510.db2.gz AAAFYERLQISUBJ-OAHLLOKOSA-N 1 2 349.394 0.431 20 30 ECEDLO NC(=O)c1nccnc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001016204193 765901516 /nfs/dbraw/zinc/90/15/16/765901516.db2.gz AAAFYERLQISUBJ-OAHLLOKOSA-N 1 2 349.394 0.431 20 30 ECEDLO CC#CC[N@@H+]1CC[C@]2(NC(=O)C3CCS(=O)(=O)CC3)CCC[C@@H]12 ZINC000992260245 766083951 /nfs/dbraw/zinc/08/39/51/766083951.db2.gz MKFFLQZVOYBLIY-NVXWUHKLSA-N 1 2 338.473 0.948 20 30 ECEDLO CC#CC[N@H+]1CC[C@]2(NC(=O)C3CCS(=O)(=O)CC3)CCC[C@@H]12 ZINC000992260245 766083956 /nfs/dbraw/zinc/08/39/56/766083956.db2.gz MKFFLQZVOYBLIY-NVXWUHKLSA-N 1 2 338.473 0.948 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 ZINC001106121808 766167216 /nfs/dbraw/zinc/16/72/16/766167216.db2.gz KFXBVFWSYZMKPK-MGPQQGTHSA-N 1 2 340.387 0.379 20 30 ECEDLO C#CCN1CC2(C1)CN(C(=O)c1cc(-n3cc[nH+]c3)ccn1)CCO2 ZINC001053495361 766233812 /nfs/dbraw/zinc/23/38/12/766233812.db2.gz GYKIXUIQLNQZOU-UHFFFAOYSA-N 1 2 337.383 0.427 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C1CCN(C(N)=O)CC1)CCO2 ZINC001053528903 766284353 /nfs/dbraw/zinc/28/43/53/766284353.db2.gz VZMDFAFPNQUALW-UHFFFAOYSA-N 1 2 336.436 0.266 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCc3nncn3C1)CCO2 ZINC001053540759 766306230 /nfs/dbraw/zinc/30/62/30/766306230.db2.gz FIVFVDMNFFQPHR-AWEZNQCLSA-N 1 2 331.420 0.330 20 30 ECEDLO CO[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212248646 766354149 /nfs/dbraw/zinc/35/41/49/766354149.db2.gz KWEWROVZCPNDML-HUUCEWRRSA-N 1 2 335.448 0.474 20 30 ECEDLO CO[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212248646 766354150 /nfs/dbraw/zinc/35/41/50/766354150.db2.gz KWEWROVZCPNDML-HUUCEWRRSA-N 1 2 335.448 0.474 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC(=O)N(CC)C1)O2 ZINC001053606830 766422335 /nfs/dbraw/zinc/42/23/35/766422335.db2.gz ORSSJCRAKXEMAL-GJZGRUSLSA-N 1 2 335.448 0.781 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnc(C)nc1OC)O2 ZINC001053608692 766424363 /nfs/dbraw/zinc/42/43/63/766424363.db2.gz IMNOPBNIRBKKQT-ZDUSSCGKSA-N 1 2 332.404 0.943 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cccc(-c3nc[nH]n3)c2)[C@@H](O)C1 ZINC001083694523 766503685 /nfs/dbraw/zinc/50/36/85/766503685.db2.gz DHEVNIVOEGIPAD-CABCVRRESA-N 1 2 325.372 0.270 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(-c3nc[nH]n3)c2)[C@@H](O)C1 ZINC001083694523 766503692 /nfs/dbraw/zinc/50/36/92/766503692.db2.gz DHEVNIVOEGIPAD-CABCVRRESA-N 1 2 325.372 0.270 20 30 ECEDLO Cn1cnnc1C[NH+]1CCC2(C[C@@H]2NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001016567475 766510863 /nfs/dbraw/zinc/51/08/63/766510863.db2.gz YRYMVDKWOATIRS-AWEZNQCLSA-N 1 2 339.403 0.799 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CCC3(C[NH+](CCOC)C3)O2)nn1 ZINC001053676585 766559382 /nfs/dbraw/zinc/55/93/82/766559382.db2.gz FVIFFGNQGGVPRN-CQSZACIVSA-N 1 2 349.435 0.464 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c(OC)cc[nH]c1=O)O2 ZINC001053691441 766599360 /nfs/dbraw/zinc/59/93/60/766599360.db2.gz XSYWTASYNCTSCY-LBPRGKRZSA-N 1 2 333.388 0.945 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@H]1OC ZINC001212258568 766609554 /nfs/dbraw/zinc/60/95/54/766609554.db2.gz WFRWQNWSUZMRLG-XNRPHZJLSA-N 1 2 335.404 0.645 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@H]1OC ZINC001212258568 766609557 /nfs/dbraw/zinc/60/95/57/766609557.db2.gz WFRWQNWSUZMRLG-XNRPHZJLSA-N 1 2 335.404 0.645 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)n2)C[C@H]1OC ZINC001212261068 766634906 /nfs/dbraw/zinc/63/49/06/766634906.db2.gz SGGQZRBUQLRZEY-HZPDHXFCSA-N 1 2 347.415 0.446 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)n2)C[C@H]1OC ZINC001212261068 766634911 /nfs/dbraw/zinc/63/49/11/766634911.db2.gz SGGQZRBUQLRZEY-HZPDHXFCSA-N 1 2 347.415 0.446 20 30 ECEDLO C[C@@H](C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1)c1ccnn1C ZINC001046030782 766697830 /nfs/dbraw/zinc/69/78/30/766697830.db2.gz AZAIVQMYHDYNEO-CABCVRRESA-N 1 2 330.436 0.266 20 30 ECEDLO Cc1c(CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)cnn1C ZINC001046032382 766704088 /nfs/dbraw/zinc/70/40/88/766704088.db2.gz CLOICXAFFUUPCR-INIZCTEOSA-N 1 2 330.436 0.013 20 30 ECEDLO COc1cc(CCC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)on1 ZINC001046034530 766714108 /nfs/dbraw/zinc/71/41/08/766714108.db2.gz UFCVCYJNWGOCQR-AWEZNQCLSA-N 1 2 347.419 0.358 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 ZINC001106132835 766776241 /nfs/dbraw/zinc/77/62/41/766776241.db2.gz ASTSJISMJWAZSN-ABAIWWIYSA-N 1 2 328.376 0.444 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 ZINC001106132835 766776246 /nfs/dbraw/zinc/77/62/46/766776246.db2.gz ASTSJISMJWAZSN-ABAIWWIYSA-N 1 2 328.376 0.444 20 30 ECEDLO COc1ccc(CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)nc1 ZINC001046055895 766808257 /nfs/dbraw/zinc/80/82/57/766808257.db2.gz KBYDGCYAJZQHLH-INIZCTEOSA-N 1 2 343.431 0.375 20 30 ECEDLO Cc1nc(N(C)C)nc(NCCOCCN(C)C(=O)[C@H](C)C#N)[nH+]1 ZINC001127258272 766838851 /nfs/dbraw/zinc/83/88/51/766838851.db2.gz ANRYVTSSZIPIJH-LLVKDONJSA-N 1 2 335.412 0.293 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(OC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000994824348 766895841 /nfs/dbraw/zinc/89/58/41/766895841.db2.gz DOMJRPOMRHTKRA-LBPRGKRZSA-N 1 2 345.403 0.330 20 30 ECEDLO CCC1(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)CCOCC1 ZINC001046075707 766899928 /nfs/dbraw/zinc/89/99/28/766899928.db2.gz XQSYEOSPRYYMFN-INIZCTEOSA-N 1 2 334.464 0.935 20 30 ECEDLO Cc1nc(NC[C@H](O)CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)ccc1C#N ZINC001106135172 766900552 /nfs/dbraw/zinc/90/05/52/766900552.db2.gz NXEOEBUQSDMTRN-ABAIWWIYSA-N 1 2 342.403 0.753 20 30 ECEDLO Cc1nc(NC[C@H](O)CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)ccc1C#N ZINC001106135172 766900554 /nfs/dbraw/zinc/90/05/54/766900554.db2.gz NXEOEBUQSDMTRN-ABAIWWIYSA-N 1 2 342.403 0.753 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCCN1C(=O)CC)CO2 ZINC001053813621 766909118 /nfs/dbraw/zinc/90/91/18/766909118.db2.gz UYAINWKPJQTSGL-JKSUJKDBSA-N 1 2 347.459 0.760 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3Cc4cccnc4C3)CC2)C1 ZINC001046082501 766921797 /nfs/dbraw/zinc/92/17/97/766921797.db2.gz XHGFBGYUJZDIOF-SJORKVTESA-N 1 2 339.443 0.538 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C2CC(NC(=O)Cn3cc[nH+]c3)C2)nc1 ZINC001016810849 766968128 /nfs/dbraw/zinc/96/81/28/766968128.db2.gz GGKRXXMGOVTJAA-UHFFFAOYSA-N 1 2 337.383 0.679 20 30 ECEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CCCNC3=O)C2)ccc1F ZINC001031743940 767009629 /nfs/dbraw/zinc/00/96/29/767009629.db2.gz BRJMJXDUKYOHLT-OAHLLOKOSA-N 1 2 344.390 0.772 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCn3ccnc3C1)CO2 ZINC001053852469 767023663 /nfs/dbraw/zinc/02/36/63/767023663.db2.gz LNVUKVXFLRBYNY-HUUCEWRRSA-N 1 2 330.432 0.981 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnn3c1OCCC3)CO2 ZINC001053858892 767049002 /nfs/dbraw/zinc/04/90/02/767049002.db2.gz UOSWRAZTJHEHLI-ZDUSSCGKSA-N 1 2 330.388 0.262 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc3ncnn31)CO2 ZINC001053859491 767051594 /nfs/dbraw/zinc/05/15/94/767051594.db2.gz JQAKMJXFRLGZNJ-CYBMUJFWSA-N 1 2 325.372 0.326 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccn(CCOC)n1)CO2 ZINC001053867337 767077762 /nfs/dbraw/zinc/07/77/62/767077762.db2.gz INMRBMAFYYUKLE-CQSZACIVSA-N 1 2 334.420 0.679 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CCC(C)(C)C[N@H+]2CC(N)=O)nn1 ZINC001089705831 767104692 /nfs/dbraw/zinc/10/46/92/767104692.db2.gz AXZFQONDLNSMJP-ZDUSSCGKSA-N 1 2 348.451 0.560 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC(N)=O)nn1 ZINC001089705831 767104694 /nfs/dbraw/zinc/10/46/94/767104694.db2.gz AXZFQONDLNSMJP-ZDUSSCGKSA-N 1 2 348.451 0.560 20 30 ECEDLO N#CCN1CC2(C1)C[C@@H](NC(=O)c1ccc(-n3cc[nH+]c3)cc1)CO2 ZINC001053883275 767169340 /nfs/dbraw/zinc/16/93/40/767169340.db2.gz SJVCDYIUIIYSOR-OAHLLOKOSA-N 1 2 337.383 0.969 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C)nc(OC)c1)CO2 ZINC001053907669 767326131 /nfs/dbraw/zinc/32/61/31/767326131.db2.gz BRQFBICHGCLJFL-HNNXBMFYSA-N 1 2 329.400 0.995 20 30 ECEDLO C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046583604 767330850 /nfs/dbraw/zinc/33/08/50/767330850.db2.gz AAQKYVZXFXDOGO-PBHICJAKSA-N 1 2 345.378 0.459 20 30 ECEDLO C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046583604 767330855 /nfs/dbraw/zinc/33/08/55/767330855.db2.gz AAQKYVZXFXDOGO-PBHICJAKSA-N 1 2 345.378 0.459 20 30 ECEDLO N#Cc1c(F)cccc1NC[C@@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001106150254 767364377 /nfs/dbraw/zinc/36/43/77/767364377.db2.gz OQZROKVZUJWSJM-GFCCVEGCSA-N 1 2 331.351 0.942 20 30 ECEDLO N#Cc1c(F)cccc1NC[C@@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001106150254 767364385 /nfs/dbraw/zinc/36/43/85/767364385.db2.gz OQZROKVZUJWSJM-GFCCVEGCSA-N 1 2 331.351 0.942 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC(=O)N(CCC)C1)CO2 ZINC001053940608 767409624 /nfs/dbraw/zinc/40/96/24/767409624.db2.gz ICARUKMLNREBDL-LSDHHAIUSA-N 1 2 335.448 0.781 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc(C3CC3)nc1)CO2 ZINC001053948937 767430815 /nfs/dbraw/zinc/43/08/15/767430815.db2.gz VFLOPFXJMRKEMO-HNNXBMFYSA-N 1 2 326.400 0.950 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001053952295 767438094 /nfs/dbraw/zinc/43/80/94/767438094.db2.gz OPMLHKCGSKIPHX-PMPSAXMXSA-N 1 2 338.448 0.700 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@]1(C)CCN(C(C)=O)C1)CO2 ZINC001053976892 767508753 /nfs/dbraw/zinc/50/87/53/767508753.db2.gz JLMLVEBHJZIIOX-WBVHZDCISA-N 1 2 333.432 0.228 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCCN(C)C1=O)CO2 ZINC001053981953 767524465 /nfs/dbraw/zinc/52/44/65/767524465.db2.gz ZGIHOOOLPURESV-CABCVRRESA-N 1 2 335.448 0.781 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@H](C[N@H+](C)Cc2nc(N(C)C)no2)C1 ZINC001017075528 767553854 /nfs/dbraw/zinc/55/38/54/767553854.db2.gz BQQCBVGQXGMERX-CHWSQXEVSA-N 1 2 334.424 0.966 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@H](C[N@@H+](C)Cc2nc(N(C)C)no2)C1 ZINC001017075528 767553855 /nfs/dbraw/zinc/55/38/55/767553855.db2.gz BQQCBVGQXGMERX-CHWSQXEVSA-N 1 2 334.424 0.966 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CC(N(C)C(=O)Cc3c[nH+]c[nH]3)C2)nc1 ZINC001017103225 767586373 /nfs/dbraw/zinc/58/63/73/767586373.db2.gz GNOMTVXBPNFMIG-UHFFFAOYSA-N 1 2 337.383 0.748 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1c(OC)ncnc1OC)CO2 ZINC001054021575 767615793 /nfs/dbraw/zinc/61/57/93/767615793.db2.gz OMRVJFIXZCEGHS-GFCCVEGCSA-N 1 2 348.403 0.643 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001054042135 767641364 /nfs/dbraw/zinc/64/13/64/767641364.db2.gz PBKOBEYVAPMRFB-IRXDYDNUSA-N 1 2 325.412 0.641 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001054042135 767641370 /nfs/dbraw/zinc/64/13/70/767641370.db2.gz PBKOBEYVAPMRFB-IRXDYDNUSA-N 1 2 325.412 0.641 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1OCCO[C@H]1C ZINC001054044130 767642724 /nfs/dbraw/zinc/64/27/24/767642724.db2.gz RXPMRDWFQRMAHV-QGTPRVQTSA-N 1 2 328.412 0.967 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1OCCO[C@H]1C ZINC001054044130 767642727 /nfs/dbraw/zinc/64/27/27/767642727.db2.gz RXPMRDWFQRMAHV-QGTPRVQTSA-N 1 2 328.412 0.967 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cn(C)c(=O)cn1 ZINC001054048005 767646480 /nfs/dbraw/zinc/64/64/80/767646480.db2.gz SDXAQCQMQFAZHE-MRXNPFEDSA-N 1 2 336.395 0.570 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cn(C)c(=O)cn1 ZINC001054048005 767646483 /nfs/dbraw/zinc/64/64/83/767646483.db2.gz SDXAQCQMQFAZHE-MRXNPFEDSA-N 1 2 336.395 0.570 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C(C)(C)C3CC3)[C@@H](O)C2)C1=O ZINC001083714323 767663862 /nfs/dbraw/zinc/66/38/62/767663862.db2.gz LILDMEJGMVSYES-ILXRZTDVSA-N 1 2 335.448 0.371 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C(C)(C)C3CC3)[C@@H](O)C2)C1=O ZINC001083714323 767663864 /nfs/dbraw/zinc/66/38/64/767663864.db2.gz LILDMEJGMVSYES-ILXRZTDVSA-N 1 2 335.448 0.371 20 30 ECEDLO N#CCSCC(=O)N1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001055180735 768636266 /nfs/dbraw/zinc/63/62/66/768636266.db2.gz OPRMSSIIHKFFAB-BETUJISGSA-N 1 2 347.444 0.516 20 30 ECEDLO N#Cc1nccc(N[C@@H]2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]23)n1 ZINC001060540618 768644563 /nfs/dbraw/zinc/64/45/63/768644563.db2.gz BDXJZOHGUWIQOP-JHJVBQTASA-N 1 2 337.387 0.385 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001055313985 768770965 /nfs/dbraw/zinc/77/09/65/768770965.db2.gz LJAXIXOIGKFYTF-VBQJREDUSA-N 1 2 332.404 0.127 20 30 ECEDLO C=CCCOCC(=O)N1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001055378399 768833919 /nfs/dbraw/zinc/83/39/19/768833919.db2.gz HISDHROVXPFPSB-OKILXGFUSA-N 1 2 332.404 0.462 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(=O)n(CCC)n1 ZINC001018253362 768975746 /nfs/dbraw/zinc/97/57/46/768975746.db2.gz FQWMJDJSNQAVGF-GASCZTMLSA-N 1 2 328.416 0.965 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(=O)n(CCC)n1 ZINC001018253362 768975751 /nfs/dbraw/zinc/97/57/51/768975751.db2.gz FQWMJDJSNQAVGF-GASCZTMLSA-N 1 2 328.416 0.965 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NC1CN(Cc2ccc(C#N)c(F)c2)C1 ZINC001031259867 768979836 /nfs/dbraw/zinc/97/98/36/768979836.db2.gz HWUSTCAZWBVXRO-UHFFFAOYSA-N 1 2 327.363 0.974 20 30 ECEDLO CCN(CCNc1cncc(C#N)n1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001106798113 769015232 /nfs/dbraw/zinc/01/52/32/769015232.db2.gz NZNAFAWMSGAKEL-UHFFFAOYSA-N 1 2 346.435 0.719 20 30 ECEDLO N#Cc1nccc(N2C[C@@H]3CCC[C@]3(NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001055550361 769093723 /nfs/dbraw/zinc/09/37/23/769093723.db2.gz GLGYACYMHFKSSW-SJCJKPOMSA-N 1 2 337.387 0.789 20 30 ECEDLO CCN(CCNc1cnc(C#N)cn1)C(=O)CCc1c[nH+]cn1C ZINC001106814274 769106828 /nfs/dbraw/zinc/10/68/28/769106828.db2.gz VXQDVSFPMCJTRS-UHFFFAOYSA-N 1 2 327.392 0.975 20 30 ECEDLO N#Cc1ccc(N2C[C@@H]3CCC[C@]3(NC(=O)Cc3c[nH]c[nH+]3)C2)nn1 ZINC001055583739 769181696 /nfs/dbraw/zinc/18/16/96/769181696.db2.gz AWBMRKCDAFRMBM-SJCJKPOMSA-N 1 2 337.387 0.789 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccon3)C2)CC1 ZINC001018359683 769190921 /nfs/dbraw/zinc/19/09/21/769190921.db2.gz KDHNIIZMUWQHJZ-CQSZACIVSA-N 1 2 332.404 0.857 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3cnccn3)C2)CC1 ZINC001018359680 769191115 /nfs/dbraw/zinc/19/11/15/769191115.db2.gz JYQXOWKTBCZXSE-HNNXBMFYSA-N 1 2 343.431 0.659 20 30 ECEDLO C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001018364859 769207360 /nfs/dbraw/zinc/20/73/60/769207360.db2.gz UCPDFGLJBKNSSA-DGCLKSJQSA-N 1 2 340.387 0.961 20 30 ECEDLO C=CC(C)(C)C(=O)NC1CC[NH+](CCNC(=O)c2cn[nH]n2)CC1 ZINC001055597657 769221017 /nfs/dbraw/zinc/22/10/17/769221017.db2.gz ZZNVXNMCZGQLDF-UHFFFAOYSA-N 1 2 334.424 0.327 20 30 ECEDLO C=CC(C)(C)C(=O)NC1CC[NH+](CCNC(=O)c2cnn[nH]2)CC1 ZINC001055597657 769221020 /nfs/dbraw/zinc/22/10/20/769221020.db2.gz ZZNVXNMCZGQLDF-UHFFFAOYSA-N 1 2 334.424 0.327 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CN(C(C)=O)C[C@H]2c2c[nH+]cn2C)cn1 ZINC000993581024 769292066 /nfs/dbraw/zinc/29/20/66/769292066.db2.gz NSLOXTKCHQURFX-HZPDHXFCSA-N 1 2 337.383 0.541 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)CC)C1 ZINC000993634199 769446548 /nfs/dbraw/zinc/44/65/48/769446548.db2.gz IPJJVYFPWOEWRZ-KQTLUZQSSA-N 1 2 346.431 0.832 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+](Cc3cnnn3C)[C@H]2C)c1 ZINC000993773375 769597722 /nfs/dbraw/zinc/59/77/22/769597722.db2.gz QITAYGATCSFSEU-SUMWQHHRSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cnnn3C)[C@H]2C)c1 ZINC000993773375 769597730 /nfs/dbraw/zinc/59/77/30/769597730.db2.gz QITAYGATCSFSEU-SUMWQHHRSA-N 1 2 338.415 0.974 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001078357956 782765506 /nfs/dbraw/zinc/76/55/06/782765506.db2.gz FQSKKWIBCWZGOO-YPMHNXCESA-N 1 2 333.392 0.814 20 30 ECEDLO COCc1noc([C@H](C)[NH2+][C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001018739158 769832656 /nfs/dbraw/zinc/83/26/56/769832656.db2.gz XUTPYNAAZVDJCB-JQWIXIFHSA-N 1 2 344.375 0.981 20 30 ECEDLO C#CCC[N@H+]1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H]1C ZINC000994005894 769996272 /nfs/dbraw/zinc/99/62/72/769996272.db2.gz IKLRBASNIZHCGX-TZMCWYRMSA-N 1 2 342.403 0.064 20 30 ECEDLO C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H]1C ZINC000994005894 769996279 /nfs/dbraw/zinc/99/62/79/769996279.db2.gz IKLRBASNIZHCGX-TZMCWYRMSA-N 1 2 342.403 0.064 20 30 ECEDLO N#Cc1cnc(N2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)cn1 ZINC001055941106 770300700 /nfs/dbraw/zinc/30/07/00/770300700.db2.gz YAEFJLLZENROKO-ZDUSSCGKSA-N 1 2 337.387 0.456 20 30 ECEDLO N#Cc1cnc(N2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)CC2)cn1 ZINC001055940954 770301445 /nfs/dbraw/zinc/30/14/45/770301445.db2.gz VKQQLMQYSLZCNY-ZDUSSCGKSA-N 1 2 337.387 0.456 20 30 ECEDLO O=C(C#CC1CC1)N[C@@]1(CO)CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001055941608 770303087 /nfs/dbraw/zinc/30/30/87/770303087.db2.gz VDKNSFXPEDRCAQ-SFHVURJKSA-N 1 2 344.415 0.225 20 30 ECEDLO O=C(C#CC1CC1)N[C@@]1(CO)CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001055941608 770303099 /nfs/dbraw/zinc/30/30/99/770303099.db2.gz VDKNSFXPEDRCAQ-SFHVURJKSA-N 1 2 344.415 0.225 20 30 ECEDLO CCN(CCNc1ccnc(C#N)n1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001106880015 770517905 /nfs/dbraw/zinc/51/79/05/770517905.db2.gz YNFXIMPJHDHALX-ZDUSSCGKSA-N 1 2 339.403 0.490 20 30 ECEDLO C#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001056026131 770603690 /nfs/dbraw/zinc/60/36/90/770603690.db2.gz SAJYXBDSVDSREL-GOSISDBHSA-N 1 2 346.431 0.546 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@@H]1C ZINC000994421053 770770944 /nfs/dbraw/zinc/77/09/44/770770944.db2.gz ZZIANKAKKMNBTM-JQWIXIFHSA-N 1 2 340.811 0.821 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@@H]1C ZINC000994421053 770770948 /nfs/dbraw/zinc/77/09/48/770770948.db2.gz ZZIANKAKKMNBTM-JQWIXIFHSA-N 1 2 340.811 0.821 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@@H]2O)C1 ZINC001083756200 770973782 /nfs/dbraw/zinc/97/37/82/770973782.db2.gz IAJUMKILHXHFDL-CABCVRRESA-N 1 2 335.448 0.517 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@@H]2O)C1 ZINC001083756200 770973792 /nfs/dbraw/zinc/97/37/92/770973792.db2.gz IAJUMKILHXHFDL-CABCVRRESA-N 1 2 335.448 0.517 20 30 ECEDLO N#CCSCC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056249242 771039200 /nfs/dbraw/zinc/03/92/00/771039200.db2.gz VMEXNSWTSOQBGY-UONOGXRCSA-N 1 2 347.444 0.801 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001019273826 771086230 /nfs/dbraw/zinc/08/62/30/771086230.db2.gz BMDNGDJLLXBYEY-ZDUSSCGKSA-N 1 2 329.404 0.573 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(C)=C2CCC2)[C@H](OC)C1 ZINC001212231022 771094101 /nfs/dbraw/zinc/09/41/01/771094101.db2.gz IHMPZPAAGHWQRU-FVQBIDKESA-N 1 2 333.432 0.440 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)=C2CCC2)[C@H](OC)C1 ZINC001212231022 771094103 /nfs/dbraw/zinc/09/41/03/771094103.db2.gz IHMPZPAAGHWQRU-FVQBIDKESA-N 1 2 333.432 0.440 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C(C)=C2CCC2)[C@H](OC)C1 ZINC001212231023 771094115 /nfs/dbraw/zinc/09/41/15/771094115.db2.gz IHMPZPAAGHWQRU-NUEKZKHPSA-N 1 2 333.432 0.440 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)=C2CCC2)[C@H](OC)C1 ZINC001212231023 771094118 /nfs/dbraw/zinc/09/41/18/771094118.db2.gz IHMPZPAAGHWQRU-NUEKZKHPSA-N 1 2 333.432 0.440 20 30 ECEDLO N#Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCn3c[nH+]cc3C2)nc1 ZINC001056326972 771130498 /nfs/dbraw/zinc/13/04/98/771130498.db2.gz MITZVEIOIWAYBF-KBEGMRNHSA-N 1 2 348.410 0.963 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056402632 771229042 /nfs/dbraw/zinc/22/90/42/771229042.db2.gz QUQXASBGXBVVRS-QLFBSQMISA-N 1 2 344.415 0.582 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC(NC(=O)[C@H]3CCc4[nH+]ccn4C3)C2)c1 ZINC000994601028 771272560 /nfs/dbraw/zinc/27/25/60/771272560.db2.gz JQAPBLLTQZVVBY-AWEZNQCLSA-N 1 2 349.394 0.463 20 30 ECEDLO Cc1cc(C#N)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC001056464451 771300648 /nfs/dbraw/zinc/30/06/48/771300648.db2.gz XQGKYSWUJNEZFZ-FAHYXWLWSA-N 1 2 349.398 0.734 20 30 ECEDLO Cc1cc(C#N)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1 ZINC001056464451 771300654 /nfs/dbraw/zinc/30/06/54/771300654.db2.gz XQGKYSWUJNEZFZ-FAHYXWLWSA-N 1 2 349.398 0.734 20 30 ECEDLO N#Cc1cc(C(=O)N2CC(NC(=O)[C@H]3CCc4c[nH+]cn4C3)C2)c[nH]1 ZINC000994609807 771363495 /nfs/dbraw/zinc/36/34/95/771363495.db2.gz ILYBDZQKSQPWHA-NSHDSACASA-N 1 2 338.371 0.286 20 30 ECEDLO N#CCSCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056573882 771395597 /nfs/dbraw/zinc/39/55/97/771395597.db2.gz YZHZDAPPUMPLSX-UONOGXRCSA-N 1 2 347.444 0.801 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001056602533 771421307 /nfs/dbraw/zinc/42/13/07/771421307.db2.gz XPPYBEWPBFDUKF-LLVKDONJSA-N 1 2 336.359 0.890 20 30 ECEDLO N#Cc1cncc(N[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)n1 ZINC001056724818 771559981 /nfs/dbraw/zinc/55/99/81/771559981.db2.gz MYOJUKUGIWCZRS-CHWSQXEVSA-N 1 2 337.387 0.820 20 30 ECEDLO CN(c1nccnc1C#N)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001056906792 771791547 /nfs/dbraw/zinc/79/15/47/771791547.db2.gz PVCQYHZGGUNTTD-LBPRGKRZSA-N 1 2 325.376 0.741 20 30 ECEDLO Cc1cc(C#N)nc(N(C)[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)n1 ZINC001057038264 771979946 /nfs/dbraw/zinc/97/99/46/771979946.db2.gz DYPCMHLEIHWLPI-AWEZNQCLSA-N 1 2 325.376 0.660 20 30 ECEDLO CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001057064442 772023899 /nfs/dbraw/zinc/02/38/99/772023899.db2.gz OYYTWNSJGMAESW-JHJVBQTASA-N 1 2 337.387 0.912 20 30 ECEDLO CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001057064442 772023906 /nfs/dbraw/zinc/02/39/06/772023906.db2.gz OYYTWNSJGMAESW-JHJVBQTASA-N 1 2 337.387 0.912 20 30 ECEDLO N#Cc1nccnc1N1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001057208568 772278021 /nfs/dbraw/zinc/27/80/21/772278021.db2.gz NSUYGDZFEXELPQ-UHFFFAOYSA-N 1 2 325.376 0.674 20 30 ECEDLO N#Cc1nccc(N2CCCN(C(=O)CCn3cc[nH+]c3)CC2)n1 ZINC001057208719 772278380 /nfs/dbraw/zinc/27/83/80/772278380.db2.gz ZFEFBAOAHALQCA-UHFFFAOYSA-N 1 2 325.376 0.674 20 30 ECEDLO C#CCCCC(=O)N(CCO)CCNC(=O)Cc1c[nH+]ccc1OC ZINC001057445439 772622335 /nfs/dbraw/zinc/62/23/35/772622335.db2.gz VQAIDTUZQHWVDG-UHFFFAOYSA-N 1 2 347.415 0.373 20 30 ECEDLO CC(C)(C)C#CC(=O)NCCN(CCO)C(=O)CCc1[nH]cc[nH+]1 ZINC001057458060 772642823 /nfs/dbraw/zinc/64/28/23/772642823.db2.gz MQTKGWRZKGEWJW-UHFFFAOYSA-N 1 2 334.420 0.329 20 30 ECEDLO C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)CCc1[nH]cc[nH+]1 ZINC001057461082 772648864 /nfs/dbraw/zinc/64/88/64/772648864.db2.gz YYMBQOYKEIQODG-UHFFFAOYSA-N 1 2 336.436 0.882 20 30 ECEDLO C=CCC(C)(C)C(=O)N(CCO)CCNC(=O)Cc1c[nH+]cn1C ZINC001057598861 772794543 /nfs/dbraw/zinc/79/45/43/772794543.db2.gz IYTIHHHJDAQHFB-UHFFFAOYSA-N 1 2 336.436 0.502 20 30 ECEDLO N#Cc1nccc(N[C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)n1 ZINC001057631166 772835834 /nfs/dbraw/zinc/83/58/34/772835834.db2.gz KZJWXHDWRKRXMU-GFCCVEGCSA-N 1 2 325.376 0.529 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H](Nc2ccnc(C#N)n2)C1 ZINC001057765713 772969913 /nfs/dbraw/zinc/96/99/13/772969913.db2.gz BQAWDRUMZTYYCI-OLZOCXBDSA-N 1 2 339.403 0.775 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](Nc2ccnc(C#N)n2)C1 ZINC001057765713 772969915 /nfs/dbraw/zinc/96/99/15/772969915.db2.gz BQAWDRUMZTYYCI-OLZOCXBDSA-N 1 2 339.403 0.775 20 30 ECEDLO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001057947156 773251448 /nfs/dbraw/zinc/25/14/48/773251448.db2.gz RDXWTCVVCFLWEG-CQSZACIVSA-N 1 2 348.447 0.595 20 30 ECEDLO C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001057947459 773252604 /nfs/dbraw/zinc/25/26/04/773252604.db2.gz ZBWSSMJUPZEKON-AWEZNQCLSA-N 1 2 334.420 0.349 20 30 ECEDLO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001057970945 773310717 /nfs/dbraw/zinc/31/07/17/773310717.db2.gz OMDGUOSUMALXAL-CHWSQXEVSA-N 1 2 334.420 0.663 20 30 ECEDLO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001057970945 773310722 /nfs/dbraw/zinc/31/07/22/773310722.db2.gz OMDGUOSUMALXAL-CHWSQXEVSA-N 1 2 334.420 0.663 20 30 ECEDLO CC#CCCCC(=O)NC[C@]1(O)CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001040604955 783088887 /nfs/dbraw/zinc/08/88/87/783088887.db2.gz FYEYCMNZAMYSMZ-GOSISDBHSA-N 1 2 346.431 0.534 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCN(c2ccnc(C#N)n2)C1 ZINC001058176762 773707715 /nfs/dbraw/zinc/70/77/15/773707715.db2.gz GJEBHNUALYJUPU-GFCCVEGCSA-N 1 2 325.376 0.409 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)Cc1[nH]c[nH+]c1C ZINC001058263209 773872328 /nfs/dbraw/zinc/87/23/28/773872328.db2.gz AXYBKYWFLNMAJV-CHWSQXEVSA-N 1 2 336.436 0.656 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)Cc1[nH]c[nH+]c1C ZINC001058263211 773872603 /nfs/dbraw/zinc/87/26/03/773872603.db2.gz AXYBKYWFLNMAJV-QWHCGFSZSA-N 1 2 336.436 0.656 20 30 ECEDLO N#Cc1cncc(N2CCC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC001058265355 773879705 /nfs/dbraw/zinc/87/97/05/773879705.db2.gz GREBARUGQVBAIW-MRVWCRGKSA-N 1 2 337.387 0.960 20 30 ECEDLO N#Cc1cncc(N2CCC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)n1 ZINC001058265355 773879711 /nfs/dbraw/zinc/87/97/11/773879711.db2.gz GREBARUGQVBAIW-MRVWCRGKSA-N 1 2 337.387 0.960 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001058287736 773922515 /nfs/dbraw/zinc/92/25/15/773922515.db2.gz BWPLCBLMDQRAOC-UHFFFAOYSA-N 1 2 336.436 0.800 20 30 ECEDLO C#CCCCCCC(=O)N(CCO)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001058307346 773945266 /nfs/dbraw/zinc/94/52/66/773945266.db2.gz HKCFMLSDNAZBKM-UHFFFAOYSA-N 1 2 334.420 0.473 20 30 ECEDLO C#CCCCCC(=O)NCCN(CCO)C(=O)CCc1[nH+]ccn1C ZINC001058352968 774022085 /nfs/dbraw/zinc/02/20/85/774022085.db2.gz PGHNGMODGJCNQL-UHFFFAOYSA-N 1 2 348.447 0.483 20 30 ECEDLO N#Cc1nccnc1N1CC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001058481212 774272374 /nfs/dbraw/zinc/27/23/74/774272374.db2.gz MBKLFUCQMGREEI-CHWSQXEVSA-N 1 2 337.387 0.502 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(c2nccnc2C#N)C1 ZINC001058548188 774412770 /nfs/dbraw/zinc/41/27/70/774412770.db2.gz IQDHOCWONBPLEK-JHJVBQTASA-N 1 2 337.387 0.580 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(c2cnc(C#N)cn2)C1 ZINC001058551384 774419179 /nfs/dbraw/zinc/41/91/79/774419179.db2.gz TZJYSDMWXAWEQB-IACUBPJLSA-N 1 2 337.387 0.580 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CCN(c3cc[nH+]c(C)n3)C2)nn1 ZINC001058567749 774451387 /nfs/dbraw/zinc/45/13/87/774451387.db2.gz FNHRNSGIRAKTOA-CYBMUJFWSA-N 1 2 327.392 0.961 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N[C@H]1CCN(c2nccnc2C#N)C1 ZINC001058586345 774482006 /nfs/dbraw/zinc/48/20/06/774482006.db2.gz MFIXAPKIYVHLBB-ZDUSSCGKSA-N 1 2 338.371 0.689 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001045059897 774913104 /nfs/dbraw/zinc/91/31/04/774913104.db2.gz YFOJITJKRUTHSH-AWEZNQCLSA-N 1 2 348.447 0.645 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001045072048 774933146 /nfs/dbraw/zinc/93/31/46/774933146.db2.gz ACFUBUYGHZCJFN-BFHYXJOUSA-N 1 2 346.431 0.805 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001045072048 774933148 /nfs/dbraw/zinc/93/31/48/774933148.db2.gz ACFUBUYGHZCJFN-BFHYXJOUSA-N 1 2 346.431 0.805 20 30 ECEDLO C#CCCCCCC(=O)NCC1(O)CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001044475113 776335757 /nfs/dbraw/zinc/33/57/57/776335757.db2.gz LMGHDSCFZUUHNP-UHFFFAOYSA-N 1 2 346.431 0.534 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccn3ccnc23)[C@@H](n2ccnn2)C1 ZINC001070051590 790456461 /nfs/dbraw/zinc/45/64/61/790456461.db2.gz DKUPHXXSOZDNQJ-CVEARBPZSA-N 1 2 349.398 0.604 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cccn3ccnc23)[C@@H](n2ccnn2)C1 ZINC001070051590 790456469 /nfs/dbraw/zinc/45/64/69/790456469.db2.gz DKUPHXXSOZDNQJ-CVEARBPZSA-N 1 2 349.398 0.604 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)c2c(C)noc2C)[C@@H](n2ccnn2)C1 ZINC001070054285 790463593 /nfs/dbraw/zinc/46/35/93/790463593.db2.gz QBJROSYSOFQRQO-DFBGVHRSSA-N 1 2 342.403 0.661 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2c(C)noc2C)[C@@H](n2ccnn2)C1 ZINC001070054285 790463598 /nfs/dbraw/zinc/46/35/98/790463598.db2.gz QBJROSYSOFQRQO-DFBGVHRSSA-N 1 2 342.403 0.661 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001044673507 776618132 /nfs/dbraw/zinc/61/81/32/776618132.db2.gz OZWTYJCBOJPGSF-CQSZACIVSA-N 1 2 348.447 0.645 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001044714885 776687611 /nfs/dbraw/zinc/68/76/11/776687611.db2.gz PQANHFYYAATHSI-CQSZACIVSA-N 1 2 348.447 0.645 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ncoc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070069663 790502010 /nfs/dbraw/zinc/50/20/10/790502010.db2.gz RMYWYVLJWPOJFF-KGLIPLIRSA-N 1 2 340.387 0.822 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ncoc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070069663 790502020 /nfs/dbraw/zinc/50/20/20/790502020.db2.gz RMYWYVLJWPOJFF-KGLIPLIRSA-N 1 2 340.387 0.822 20 30 ECEDLO C=CCOCC(=O)NC[C@H]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)O1 ZINC001068538936 790514084 /nfs/dbraw/zinc/51/40/84/790514084.db2.gz BSCSMLKLDPPRKW-CYBMUJFWSA-N 1 2 348.403 0.031 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2Cc3cccnc3C2)[C@@H](n2ccnn2)C1 ZINC001070084525 790547980 /nfs/dbraw/zinc/54/79/80/790547980.db2.gz HUJOFHUMPHFQEZ-UAGQMJEPSA-N 1 2 336.399 0.063 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2Cc3cccnc3C2)[C@@H](n2ccnn2)C1 ZINC001070084525 790547988 /nfs/dbraw/zinc/54/79/88/790547988.db2.gz HUJOFHUMPHFQEZ-UAGQMJEPSA-N 1 2 336.399 0.063 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001080359371 777746513 /nfs/dbraw/zinc/74/65/13/777746513.db2.gz KOPLQDWWCHIVKG-SZEHBUNVSA-N 1 2 331.214 0.013 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001080359371 777746521 /nfs/dbraw/zinc/74/65/21/777746521.db2.gz KOPLQDWWCHIVKG-SZEHBUNVSA-N 1 2 331.214 0.013 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(c3ccccc3)CC2)[C@@H](n2ccnn2)C1 ZINC001070090221 790569476 /nfs/dbraw/zinc/56/94/76/790569476.db2.gz WGTKVJRXTXWTBF-SJORKVTESA-N 1 2 335.411 0.985 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(c3ccccc3)CC2)[C@@H](n2ccnn2)C1 ZINC001070090221 790569483 /nfs/dbraw/zinc/56/94/83/790569483.db2.gz WGTKVJRXTXWTBF-SJORKVTESA-N 1 2 335.411 0.985 20 30 ECEDLO Cc1c[nH+]c2cc(C(=O)NCC3(O)CN(C(=O)[C@@H](C)C#N)C3)ccn12 ZINC001043168665 777866722 /nfs/dbraw/zinc/86/67/22/777866722.db2.gz ATANENQVYWQYQQ-NSHDSACASA-N 1 2 341.371 0.106 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2c(C)noc2C)[C@@H](n2ccnn2)C1 ZINC001070094077 790580934 /nfs/dbraw/zinc/58/09/34/790580934.db2.gz XSUNFCPKFOELAS-CABCVRRESA-N 1 2 328.376 0.100 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2c(C)noc2C)[C@@H](n2ccnn2)C1 ZINC001070094077 790580943 /nfs/dbraw/zinc/58/09/43/790580943.db2.gz XSUNFCPKFOELAS-CABCVRRESA-N 1 2 328.376 0.100 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1Nc1cnc(C#N)cn1 ZINC001043253386 778049628 /nfs/dbraw/zinc/04/96/28/778049628.db2.gz YPMUZLBJJONFTI-BXUZGUMPSA-N 1 2 325.376 0.583 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1Nc1nccnc1C#N ZINC001043281294 778088846 /nfs/dbraw/zinc/08/88/46/778088846.db2.gz BOSBKLSEOYMCGM-IUODEOHRSA-N 1 2 339.403 0.973 20 30 ECEDLO C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001043316108 778147862 /nfs/dbraw/zinc/14/78/62/778147862.db2.gz WKASMYRUPSSSRC-CHWSQXEVSA-N 1 2 332.404 0.559 20 30 ECEDLO C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001043316108 778147868 /nfs/dbraw/zinc/14/78/68/778147868.db2.gz WKASMYRUPSSSRC-CHWSQXEVSA-N 1 2 332.404 0.559 20 30 ECEDLO C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001043319225 778151345 /nfs/dbraw/zinc/15/13/45/778151345.db2.gz BGSOXYVQHCLBFW-CQSZACIVSA-N 1 2 346.431 0.491 20 30 ECEDLO C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1Nc1ccnc(C#N)n1 ZINC001043395731 778270871 /nfs/dbraw/zinc/27/08/71/778270871.db2.gz LDPAMODMJFRXGR-CHWSQXEVSA-N 1 2 347.382 0.990 20 30 ECEDLO CC(C)C[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H](C)C#N)C1)n1cc[nH+]c1 ZINC001043487992 778411339 /nfs/dbraw/zinc/41/13/39/778411339.db2.gz DOFWGLHQIVAHHJ-KGLIPLIRSA-N 1 2 347.419 0.319 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H](C)C(C)(C)C)C1 ZINC001043648655 778664267 /nfs/dbraw/zinc/66/42/67/778664267.db2.gz DEQMABPHERFZIM-GJZGRUSLSA-N 1 2 349.475 0.456 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H](C)C(C)(C)C)C1 ZINC001043648655 778664274 /nfs/dbraw/zinc/66/42/74/778664274.db2.gz DEQMABPHERFZIM-GJZGRUSLSA-N 1 2 349.475 0.456 20 30 ECEDLO CCn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2n2ccnn2)n1 ZINC001070160841 790790588 /nfs/dbraw/zinc/79/05/88/790790588.db2.gz IEQKFFIVTLKBRN-YUELXQCFSA-N 1 2 342.407 0.196 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001078755948 780447624 /nfs/dbraw/zinc/44/76/24/780447624.db2.gz DYUYCFFMWPKDLS-SWLSCSKDSA-N 1 2 349.435 0.434 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cn(C)cn2)C1 ZINC001079132439 780793471 /nfs/dbraw/zinc/79/34/71/780793471.db2.gz MRORUHOPPYSTOI-QZTJIDSGSA-N 1 2 338.411 0.741 20 30 ECEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cn(C)cn2)C1 ZINC001079132439 780793473 /nfs/dbraw/zinc/79/34/73/780793473.db2.gz MRORUHOPPYSTOI-QZTJIDSGSA-N 1 2 338.411 0.741 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001042827818 780900200 /nfs/dbraw/zinc/90/02/00/780900200.db2.gz ZGHVAWZZOKUFIU-UHFFFAOYSA-N 1 2 334.420 0.634 20 30 ECEDLO CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001042869766 780967706 /nfs/dbraw/zinc/96/77/06/780967706.db2.gz ZGQFOEWAJZRXJL-GDBMZVCRSA-N 1 2 340.387 0.547 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2n[nH]c(C(C)C)n2)C1 ZINC001042961000 781104127 /nfs/dbraw/zinc/10/41/27/781104127.db2.gz WDHLUPXRZUIFRZ-HNNXBMFYSA-N 1 2 344.463 0.668 20 30 ECEDLO C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001043059532 781255448 /nfs/dbraw/zinc/25/54/48/781255448.db2.gz JEFFRFHQGSOXFK-UHFFFAOYSA-N 1 2 334.420 0.254 20 30 ECEDLO C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001043069233 781271177 /nfs/dbraw/zinc/27/11/77/781271177.db2.gz VWVMSWRJKGYDGL-UHFFFAOYSA-N 1 2 348.447 0.955 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@H]2O)CC1 ZINC001077621399 781368530 /nfs/dbraw/zinc/36/85/30/781368530.db2.gz HKDFEPLLYBLZCZ-IAGOWNOFSA-N 1 2 349.475 0.907 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@H]2O)CC1 ZINC001077621399 781368543 /nfs/dbraw/zinc/36/85/43/781368543.db2.gz HKDFEPLLYBLZCZ-IAGOWNOFSA-N 1 2 349.475 0.907 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CCC(=C)CC3)C2)C1=O ZINC001077624972 781373654 /nfs/dbraw/zinc/37/36/54/781373654.db2.gz KYCXVQUNSXZNGM-IXDOHACOSA-N 1 2 347.459 0.681 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3CCC(=C)CC3)C2)C1=O ZINC001077624972 781373661 /nfs/dbraw/zinc/37/36/61/781373661.db2.gz KYCXVQUNSXZNGM-IXDOHACOSA-N 1 2 347.459 0.681 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC3CCCC3)C[C@H]2O)C1 ZINC001077645349 781417723 /nfs/dbraw/zinc/41/77/23/781417723.db2.gz BVHNSVRHZRZXIC-NUEKZKHPSA-N 1 2 349.475 0.951 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC3CCCC3)C[C@H]2O)C1 ZINC001077645349 781417727 /nfs/dbraw/zinc/41/77/27/781417727.db2.gz BVHNSVRHZRZXIC-NUEKZKHPSA-N 1 2 349.475 0.951 20 30 ECEDLO N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)n1 ZINC001041425489 781481489 /nfs/dbraw/zinc/48/14/89/781481489.db2.gz DOOZDZZIQHUJFW-ZIAGYGMSSA-N 1 2 349.354 0.204 20 30 ECEDLO CC#CCCCC(=O)N1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040697854 783290769 /nfs/dbraw/zinc/29/07/69/783290769.db2.gz VURLGHYVDBJEJS-KRWDZBQOSA-N 1 2 332.404 0.225 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H](CC)C(N)=O ZINC001039923552 783300869 /nfs/dbraw/zinc/30/08/69/783300869.db2.gz WTPHYRIYMBGMOU-LEOABGAYSA-N 1 2 335.448 0.907 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H](CC)C(N)=O ZINC001039923552 783300876 /nfs/dbraw/zinc/30/08/76/783300876.db2.gz WTPHYRIYMBGMOU-LEOABGAYSA-N 1 2 335.448 0.907 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(NC(=O)[C@@H](C)C#N)CCOCC1 ZINC001070232286 783707085 /nfs/dbraw/zinc/70/70/85/783707085.db2.gz GIBGDGIFMAPREN-OLZOCXBDSA-N 1 2 347.419 0.530 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(NC(=O)[C@@H](C)C#N)CCOCC1 ZINC001070232286 783707090 /nfs/dbraw/zinc/70/70/90/783707090.db2.gz GIBGDGIFMAPREN-OLZOCXBDSA-N 1 2 347.419 0.530 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)c2cc[nH]c(=O)c2)C1=O ZINC001038149456 783919634 /nfs/dbraw/zinc/91/96/34/783919634.db2.gz AEFRWPIKJVCJMX-ZIAGYGMSSA-N 1 2 330.388 0.378 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)c2cc[nH]c(=O)c2)C1=O ZINC001038149456 783919638 /nfs/dbraw/zinc/91/96/38/783919638.db2.gz AEFRWPIKJVCJMX-ZIAGYGMSSA-N 1 2 330.388 0.378 20 30 ECEDLO Cc1csc(=O)n1CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038173036 783948326 /nfs/dbraw/zinc/94/83/26/783948326.db2.gz LXQCRLFTIVBGGP-ZDUSSCGKSA-N 1 2 345.428 0.922 20 30 ECEDLO Cc1csc(=O)n1CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001038173036 783948331 /nfs/dbraw/zinc/94/83/31/783948331.db2.gz LXQCRLFTIVBGGP-ZDUSSCGKSA-N 1 2 345.428 0.922 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)C1=O ZINC001038175318 783950918 /nfs/dbraw/zinc/95/09/18/783950918.db2.gz OGOQQWDLZDJFBA-CABCVRRESA-N 1 2 327.388 0.477 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)C1=O ZINC001038175318 783950924 /nfs/dbraw/zinc/95/09/24/783950924.db2.gz OGOQQWDLZDJFBA-CABCVRRESA-N 1 2 327.388 0.477 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1ccc(C#N)[nH]1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070444989 784095301 /nfs/dbraw/zinc/09/53/01/784095301.db2.gz YVBRHSQPQCHQEP-CQSZACIVSA-N 1 2 349.398 0.488 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)C1CC(OC)C1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070445892 784097535 /nfs/dbraw/zinc/09/75/35/784097535.db2.gz MVIJNJPUCOOJDO-YMAMQOFZSA-N 1 2 343.431 0.399 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1ccsn1)C[C@H]2c1nnc(C)[nH]1 ZINC001070446008 784099639 /nfs/dbraw/zinc/09/96/39/784099639.db2.gz PKYVPPIFJPIGGP-LBPRGKRZSA-N 1 2 342.428 0.744 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1csnn1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070447484 784103278 /nfs/dbraw/zinc/10/32/78/784103278.db2.gz LZBCPQYTZIXVIL-LLVKDONJSA-N 1 2 343.416 0.139 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1ccncn1)C[C@H]2c1nnc(C)[nH]1 ZINC001070450608 784110994 /nfs/dbraw/zinc/11/09/94/784110994.db2.gz LQTLCNKVYLZWKT-ZDUSSCGKSA-N 1 2 337.387 0.078 20 30 ECEDLO Cn1cnc([C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2NCC#N)c1 ZINC001070488837 784179654 /nfs/dbraw/zinc/17/96/54/784179654.db2.gz JLQIHVACEHPIJB-GXTWGEPZSA-N 1 2 327.392 0.184 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccc(C)nn2)CC1 ZINC001070963220 784241662 /nfs/dbraw/zinc/24/16/62/784241662.db2.gz HLZPOKQVQAVQOM-UHFFFAOYSA-N 1 2 329.404 0.072 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccc(C)nn2)CC1 ZINC001070963220 784241669 /nfs/dbraw/zinc/24/16/69/784241669.db2.gz HLZPOKQVQAVQOM-UHFFFAOYSA-N 1 2 329.404 0.072 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)c2ccnn2C)CC1 ZINC001070964601 784249476 /nfs/dbraw/zinc/24/94/76/784249476.db2.gz QYKONVPWVPQUKL-AWEZNQCLSA-N 1 2 333.436 0.360 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)c2ccnn2C)CC1 ZINC001070964601 784249482 /nfs/dbraw/zinc/24/94/82/784249482.db2.gz QYKONVPWVPQUKL-AWEZNQCLSA-N 1 2 333.436 0.360 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001070553296 784264593 /nfs/dbraw/zinc/26/45/93/784264593.db2.gz IVMBZGDFZLAYSO-LSDHHAIUSA-N 1 2 346.431 0.755 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001070553578 784264932 /nfs/dbraw/zinc/26/49/32/784264932.db2.gz WMIAXVMGEVJCFE-UONOGXRCSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001070553578 784264937 /nfs/dbraw/zinc/26/49/37/784264937.db2.gz WMIAXVMGEVJCFE-UONOGXRCSA-N 1 2 334.420 0.898 20 30 ECEDLO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2cncn2C)[nH]1 ZINC001070630250 784461474 /nfs/dbraw/zinc/46/14/74/784461474.db2.gz INEYXCAYXCLLGB-RAIGVLPGSA-N 1 2 342.407 0.091 20 30 ECEDLO Cc1nn(C)cc1CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070656690 784508472 /nfs/dbraw/zinc/50/84/72/784508472.db2.gz XCUOFNVPQKXHNS-HUUCEWRRSA-N 1 2 341.419 0.112 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ncc(F)cc2F)C[C@H]1NCC#N ZINC001070661040 784516352 /nfs/dbraw/zinc/51/63/52/784516352.db2.gz VPDINCPCGPOASV-DGCLKSJQSA-N 1 2 346.341 0.815 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ccn3ccnc3c2)C[C@H]1NCC#N ZINC001070667089 784523222 /nfs/dbraw/zinc/52/32/22/784523222.db2.gz QCPJTJAIKFRTPB-HUUCEWRRSA-N 1 2 349.398 0.789 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001070672999 784530969 /nfs/dbraw/zinc/53/09/69/784530969.db2.gz VASUQGSFMHTCHQ-DYVFJYSZSA-N 1 2 334.420 0.695 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001070675052 784534805 /nfs/dbraw/zinc/53/48/05/784534805.db2.gz NHESJPKIWUCKCB-CXAGYDPISA-N 1 2 334.420 0.777 20 30 ECEDLO COc1ccnc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)c1 ZINC001070675794 784535297 /nfs/dbraw/zinc/53/52/97/784535297.db2.gz VUDYDESMTVMALE-UKRRQHHQSA-N 1 2 340.387 0.545 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@H]1NCC#N ZINC001070679529 784542063 /nfs/dbraw/zinc/54/20/63/784542063.db2.gz BLRARTMZQVEWDU-NXEZZACHSA-N 1 2 332.389 0.304 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001070730309 784616081 /nfs/dbraw/zinc/61/60/81/784616081.db2.gz BUASGTHMOHWENH-HZPDHXFCSA-N 1 2 346.431 0.981 20 30 ECEDLO C#CCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001070732371 784623695 /nfs/dbraw/zinc/62/36/95/784623695.db2.gz ILYABLPGWBSKID-BFHYXJOUSA-N 1 2 348.426 0.623 20 30 ECEDLO C#CCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC001070732371 784623700 /nfs/dbraw/zinc/62/37/00/784623700.db2.gz ILYABLPGWBSKID-BFHYXJOUSA-N 1 2 348.426 0.623 20 30 ECEDLO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cccc3n[nH]nc31)C[C@@H](C)O2 ZINC001071169223 784647783 /nfs/dbraw/zinc/64/77/83/784647783.db2.gz NSHIBYVZOKOVAR-FZKQIMNGSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cccc3n[nH]nc31)C[C@@H](C)O2 ZINC001071169223 784647784 /nfs/dbraw/zinc/64/77/84/784647784.db2.gz NSHIBYVZOKOVAR-FZKQIMNGSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cccc3nn[nH]c31)C[C@@H](C)O2 ZINC001071169223 784647787 /nfs/dbraw/zinc/64/77/87/784647787.db2.gz NSHIBYVZOKOVAR-FZKQIMNGSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cccc3nn[nH]c31)C[C@@H](C)O2 ZINC001071169223 784647790 /nfs/dbraw/zinc/64/77/90/784647790.db2.gz NSHIBYVZOKOVAR-FZKQIMNGSA-N 1 2 339.399 0.897 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)O[C@@]3(CC[N@H+](CC(N)=O)C3)C2)cc1 ZINC001071197166 784715640 /nfs/dbraw/zinc/71/56/40/784715640.db2.gz ODJUBTIJGOGCFB-AUUYWEPGSA-N 1 2 341.411 0.459 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)O[C@@]3(CC[N@@H+](CC(N)=O)C3)C2)cc1 ZINC001071197166 784715645 /nfs/dbraw/zinc/71/56/45/784715645.db2.gz ODJUBTIJGOGCFB-AUUYWEPGSA-N 1 2 341.411 0.459 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001070888277 784793660 /nfs/dbraw/zinc/79/36/60/784793660.db2.gz LELKOQFHFBKCBU-UKRRQHHQSA-N 1 2 332.404 0.488 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001070888277 784793666 /nfs/dbraw/zinc/79/36/66/784793666.db2.gz LELKOQFHFBKCBU-UKRRQHHQSA-N 1 2 332.404 0.488 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2CCC2)C1 ZINC001070900435 784808211 /nfs/dbraw/zinc/80/82/11/784808211.db2.gz MFOUPJPZRNRRKK-XHSDSOJGSA-N 1 2 331.416 0.916 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2CCC2)C1 ZINC001070900435 784808220 /nfs/dbraw/zinc/80/82/20/784808220.db2.gz MFOUPJPZRNRRKK-XHSDSOJGSA-N 1 2 331.416 0.916 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3cc(C)no3)C2)C(=O)C1 ZINC001071257054 784857372 /nfs/dbraw/zinc/85/73/72/784857372.db2.gz PKDWEYBJIIDHES-HNNXBMFYSA-N 1 2 344.415 0.755 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3cc(C)no3)C2)C(=O)C1 ZINC001071257054 784857377 /nfs/dbraw/zinc/85/73/77/784857377.db2.gz PKDWEYBJIIDHES-HNNXBMFYSA-N 1 2 344.415 0.755 20 30 ECEDLO CC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)C(=O)C1 ZINC001071260365 784871816 /nfs/dbraw/zinc/87/18/16/784871816.db2.gz PRLGOIQVQIBNMK-AWEZNQCLSA-N 1 2 329.404 0.655 20 30 ECEDLO CC[N@H+]1CCN([C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)C(=O)C1 ZINC001071260365 784871820 /nfs/dbraw/zinc/87/18/20/784871820.db2.gz PRLGOIQVQIBNMK-AWEZNQCLSA-N 1 2 329.404 0.655 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[C@H](N3CC[N@@H+](CC)CC3=O)C2)cn1 ZINC001071276871 784920048 /nfs/dbraw/zinc/92/00/48/784920048.db2.gz CYYKBIBMXXYKSF-KRWDZBQOSA-N 1 2 340.427 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[C@H](N3CC[N@H+](CC)CC3=O)C2)cn1 ZINC001071276871 784920054 /nfs/dbraw/zinc/92/00/54/784920054.db2.gz CYYKBIBMXXYKSF-KRWDZBQOSA-N 1 2 340.427 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(=O)NC3CC3)C2)nc1 ZINC001071998319 785501807 /nfs/dbraw/zinc/50/18/07/785501807.db2.gz IONRBHUMLIQACE-BBRMVZONSA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(=O)NC3CC3)C2)nc1 ZINC001071998319 785501808 /nfs/dbraw/zinc/50/18/08/785501808.db2.gz IONRBHUMLIQACE-BBRMVZONSA-N 1 2 340.427 0.924 20 30 ECEDLO C[C@@H]1CC[C@@H](NC(=O)c2nnn(C)n2)C[N@@H+]1Cc1ccccc1C#N ZINC001071744328 785626441 /nfs/dbraw/zinc/62/64/41/785626441.db2.gz KQIHVVVDNKEQIX-IUODEOHRSA-N 1 2 339.403 0.865 20 30 ECEDLO C[C@@H]1CC[C@@H](NC(=O)c2nnn(C)n2)C[N@H+]1Cc1ccccc1C#N ZINC001071744328 785626446 /nfs/dbraw/zinc/62/64/46/785626446.db2.gz KQIHVVVDNKEQIX-IUODEOHRSA-N 1 2 339.403 0.865 20 30 ECEDLO C=CCCOCC(=O)N[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001072318181 786032043 /nfs/dbraw/zinc/03/20/43/786032043.db2.gz ZKSCMXKBSAVGMY-DZGCQCFKSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCCOCC(=O)N[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001072318181 786032047 /nfs/dbraw/zinc/03/20/47/786032047.db2.gz ZKSCMXKBSAVGMY-DZGCQCFKSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCOCCCC(=O)N[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001072430677 786173572 /nfs/dbraw/zinc/17/35/72/786173572.db2.gz XEAZRUBMRULFDH-HOCLYGCPSA-N 1 2 348.447 0.909 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001072509411 786300062 /nfs/dbraw/zinc/30/00/62/786300062.db2.gz APDYRPGCGQXEGE-KGLIPLIRSA-N 1 2 334.420 0.518 20 30 ECEDLO COCCc1noc(C[N@@H+]2CCC3(CN(C(=O)[C@H](C)C#N)C3)C2)n1 ZINC001072559560 786366540 /nfs/dbraw/zinc/36/65/40/786366540.db2.gz IHAXWSRYFSWUTI-GFCCVEGCSA-N 1 2 333.392 0.452 20 30 ECEDLO COCCc1noc(C[N@H+]2CCC3(CN(C(=O)[C@H](C)C#N)C3)C2)n1 ZINC001072559560 786366545 /nfs/dbraw/zinc/36/65/45/786366545.db2.gz IHAXWSRYFSWUTI-GFCCVEGCSA-N 1 2 333.392 0.452 20 30 ECEDLO Cn1nccc1CC[N@@H+]1CCO[C@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 ZINC001074237309 786481057 /nfs/dbraw/zinc/48/10/57/786481057.db2.gz XEFIMEOFGZXZMW-ROUUACIJSA-N 1 2 342.443 0.678 20 30 ECEDLO Cn1nccc1CC[N@H+]1CCO[C@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 ZINC001074237309 786481059 /nfs/dbraw/zinc/48/10/59/786481059.db2.gz XEFIMEOFGZXZMW-ROUUACIJSA-N 1 2 342.443 0.678 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn4c(n3)CCC4)C[C@@H]21 ZINC001074244632 786498020 /nfs/dbraw/zinc/49/80/20/786498020.db2.gz ISZQQXQFZGKFOJ-JKSUJKDBSA-N 1 2 328.416 0.768 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn4c(n3)CCC4)C[C@@H]21 ZINC001074244632 786498024 /nfs/dbraw/zinc/49/80/24/786498024.db2.gz ISZQQXQFZGKFOJ-JKSUJKDBSA-N 1 2 328.416 0.768 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C[C@@H]21 ZINC001074285646 786596134 /nfs/dbraw/zinc/59/61/34/786596134.db2.gz FEBFCXKXHROFJE-JKSUJKDBSA-N 1 2 346.431 0.615 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C[C@@H]21 ZINC001074285646 786596140 /nfs/dbraw/zinc/59/61/40/786596140.db2.gz FEBFCXKXHROFJE-JKSUJKDBSA-N 1 2 346.431 0.615 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccnc(OC)n3)C[C@H]21 ZINC001074293698 786612866 /nfs/dbraw/zinc/61/28/66/786612866.db2.gz BUKKGRLEDLKOLS-HUUCEWRRSA-N 1 2 330.388 0.424 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccnc(OC)n3)C[C@H]21 ZINC001074293698 786612868 /nfs/dbraw/zinc/61/28/68/786612868.db2.gz BUKKGRLEDLKOLS-HUUCEWRRSA-N 1 2 330.388 0.424 20 30 ECEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(=O)c(OC)c[nH]3)C[C@@H]21 ZINC001074296376 786620286 /nfs/dbraw/zinc/62/02/86/786620286.db2.gz FMZOMXQNNXWNPC-GOEBONIOSA-N 1 2 347.415 0.875 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(=O)c(OC)c[nH]3)C[C@@H]21 ZINC001074296376 786620292 /nfs/dbraw/zinc/62/02/92/786620292.db2.gz FMZOMXQNNXWNPC-GOEBONIOSA-N 1 2 347.415 0.875 20 30 ECEDLO C=CCCC(=O)N1CC(N2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC001073584848 786691726 /nfs/dbraw/zinc/69/17/26/786691726.db2.gz MLOQQIMTSVEUOY-UHFFFAOYSA-N 1 2 345.447 0.582 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnc4cccnn43)C[C@@H]21 ZINC001074354180 786739168 /nfs/dbraw/zinc/73/91/68/786739168.db2.gz MJMXUKMGZFCFBG-HOTGVXAUSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnc4cccnn43)C[C@@H]21 ZINC001074354180 786739174 /nfs/dbraw/zinc/73/91/74/786739174.db2.gz MJMXUKMGZFCFBG-HOTGVXAUSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3c(OC)cc[nH]c3=O)C[C@@H]21 ZINC001074384346 786817537 /nfs/dbraw/zinc/81/75/37/786817537.db2.gz FZRWFDFQUYQWBI-KBPBESRZSA-N 1 2 345.399 0.734 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3c(OC)cc[nH]c3=O)C[C@@H]21 ZINC001074384346 786817548 /nfs/dbraw/zinc/81/75/48/786817548.db2.gz FZRWFDFQUYQWBI-KBPBESRZSA-N 1 2 345.399 0.734 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCN3CCCC3=O)C[C@H]21 ZINC001074402809 786865897 /nfs/dbraw/zinc/86/58/97/786865897.db2.gz MCSADQARQZKDQQ-HZPDHXFCSA-N 1 2 335.448 0.877 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCN3CCCC3=O)C[C@H]21 ZINC001074402809 786865908 /nfs/dbraw/zinc/86/59/08/786865908.db2.gz MCSADQARQZKDQQ-HZPDHXFCSA-N 1 2 335.448 0.877 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3c(C)csc3=O)C[C@H]21 ZINC001074404985 786876473 /nfs/dbraw/zinc/87/64/73/786876473.db2.gz KSVYGWULJGXKNC-CABCVRRESA-N 1 2 349.456 0.543 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3c(C)csc3=O)C[C@H]21 ZINC001074404985 786876484 /nfs/dbraw/zinc/87/64/84/786876484.db2.gz KSVYGWULJGXKNC-CABCVRRESA-N 1 2 349.456 0.543 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(CC)n(C)n3)C[C@H]21 ZINC001074419602 786929486 /nfs/dbraw/zinc/92/94/86/786929486.db2.gz OIPIGKNLJZQKKH-IAGOWNOFSA-N 1 2 330.432 0.921 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(CC)n(C)n3)C[C@H]21 ZINC001074419602 786929491 /nfs/dbraw/zinc/92/94/91/786929491.db2.gz OIPIGKNLJZQKKH-IAGOWNOFSA-N 1 2 330.432 0.921 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001073736186 787085061 /nfs/dbraw/zinc/08/50/61/787085061.db2.gz LLMXNDQJDQZAKP-CHWSQXEVSA-N 1 2 329.828 0.567 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001073736186 787085067 /nfs/dbraw/zinc/08/50/67/787085067.db2.gz LLMXNDQJDQZAKP-CHWSQXEVSA-N 1 2 329.828 0.567 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1NC(=O)CSCC#N ZINC001073746845 787115100 /nfs/dbraw/zinc/11/51/00/787115100.db2.gz DXFGOGZXNPUVKX-VXGBXAGGSA-N 1 2 335.433 0.562 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)/C(C)=C/C)CC1 ZINC001074539110 787207935 /nfs/dbraw/zinc/20/79/35/787207935.db2.gz DXDFKWKKNMNEOE-UZPPOTPCSA-N 1 2 347.459 0.520 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)/C(C)=C/C)CC1 ZINC001074539110 787207939 /nfs/dbraw/zinc/20/79/39/787207939.db2.gz DXDFKWKKNMNEOE-UZPPOTPCSA-N 1 2 347.459 0.520 20 30 ECEDLO C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001073796515 787219726 /nfs/dbraw/zinc/21/97/26/787219726.db2.gz NWZNGKFQDJOSGR-KGLIPLIRSA-N 1 2 330.450 0.204 20 30 ECEDLO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001073796515 787219732 /nfs/dbraw/zinc/21/97/32/787219732.db2.gz NWZNGKFQDJOSGR-KGLIPLIRSA-N 1 2 330.450 0.204 20 30 ECEDLO C#CCCCC(=O)NCC1(O)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001074621547 787423976 /nfs/dbraw/zinc/42/39/76/787423976.db2.gz GEVRXTXZBLMSOE-UHFFFAOYSA-N 1 2 346.431 0.616 20 30 ECEDLO C#CCCCC(=O)NCC1(O)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001074621547 787423984 /nfs/dbraw/zinc/42/39/84/787423984.db2.gz GEVRXTXZBLMSOE-UHFFFAOYSA-N 1 2 346.431 0.616 20 30 ECEDLO CC#CCCCC(=O)NCC1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001074692297 787613724 /nfs/dbraw/zinc/61/37/24/787613724.db2.gz DMMBUIFSXPFARE-UHFFFAOYSA-N 1 2 346.431 0.616 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001074079885 787826762 /nfs/dbraw/zinc/82/67/62/787826762.db2.gz NVLXILUQMLVKCP-HIFRSBDPSA-N 1 2 334.420 0.518 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC001074080464 787828935 /nfs/dbraw/zinc/82/89/35/787828935.db2.gz SHZPPRKMEQJPSK-JSGCOSHPSA-N 1 2 349.460 0.573 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)CSCC#N)CCN1C(=O)Cn1cc[nH+]c1 ZINC001074843301 788417740 /nfs/dbraw/zinc/41/77/40/788417740.db2.gz LMAOUYYLMDCTLP-QWHCGFSZSA-N 1 2 335.433 0.636 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)CSCC#N)CCN1C(=O)Cn1cc[nH+]c1 ZINC001074843300 788418129 /nfs/dbraw/zinc/41/81/29/788418129.db2.gz LMAOUYYLMDCTLP-OLZOCXBDSA-N 1 2 335.433 0.636 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001074891575 788498370 /nfs/dbraw/zinc/49/83/70/788498370.db2.gz IRGAVKSKIKITFX-HUUCEWRRSA-N 1 2 334.420 0.972 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC001074990646 788677717 /nfs/dbraw/zinc/67/77/17/788677717.db2.gz JKERBRSRANVIQZ-GJZGRUSLSA-N 1 2 332.404 0.419 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001074990745 788678045 /nfs/dbraw/zinc/67/80/45/788678045.db2.gz KNSGJAHRPFGXSU-CABCVRRESA-N 1 2 346.431 0.878 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001074990746 788678206 /nfs/dbraw/zinc/67/82/06/788678206.db2.gz KNSGJAHRPFGXSU-GJZGRUSLSA-N 1 2 346.431 0.878 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)CSCC#N ZINC001075080970 788868848 /nfs/dbraw/zinc/86/88/48/788868848.db2.gz BRGLEPWOSPJKSN-QWHCGFSZSA-N 1 2 349.460 0.715 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)CSCC#N ZINC001075211344 789069543 /nfs/dbraw/zinc/06/95/43/789069543.db2.gz SFSRKNWJXNTIMD-NEPJUHHUSA-N 1 2 335.433 0.705 20 30 ECEDLO C#CCOCCC(=O)N1CCC(C)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001073027845 789301574 /nfs/dbraw/zinc/30/15/74/789301574.db2.gz UAYJCNJILICQIK-UHFFFAOYSA-N 1 2 332.404 0.420 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001073136137 789508004 /nfs/dbraw/zinc/50/80/04/789508004.db2.gz BDTRDAKPSYEGST-NSHDSACASA-N 1 2 342.237 0.708 20 30 ECEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 ZINC001073136137 789508011 /nfs/dbraw/zinc/50/80/11/789508011.db2.gz BDTRDAKPSYEGST-NSHDSACASA-N 1 2 342.237 0.708 20 30 ECEDLO Cc1nonc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC001075658570 789624240 /nfs/dbraw/zinc/62/42/40/789624240.db2.gz ITPZWRUOIDTABO-SWLSCSKDSA-N 1 2 326.360 0.924 20 30 ECEDLO Cc1nonc1C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC001075658570 789624244 /nfs/dbraw/zinc/62/42/44/789624244.db2.gz ITPZWRUOIDTABO-SWLSCSKDSA-N 1 2 326.360 0.924 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001073394727 789786921 /nfs/dbraw/zinc/78/69/21/789786921.db2.gz HIHGRVBUFRUPIF-HUUCEWRRSA-N 1 2 346.431 0.665 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC001073420812 789814149 /nfs/dbraw/zinc/81/41/49/789814149.db2.gz JKQKPMFWMNBLIA-KBXCAEBGSA-N 1 2 348.447 0.954 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](CNc2ccnc(C#N)n2)C1 ZINC001069478455 789851961 /nfs/dbraw/zinc/85/19/61/789851961.db2.gz QPJNRGFEWRCXAS-STQMWFEESA-N 1 2 339.403 0.741 20 30 ECEDLO N#Cc1nccc(NC[C@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001069511364 789870771 /nfs/dbraw/zinc/87/07/71/789870771.db2.gz YGLQFGLNOIQHHJ-NWDGAFQWSA-N 1 2 325.376 0.433 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC1(CC)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001069566824 789905917 /nfs/dbraw/zinc/90/59/17/789905917.db2.gz UAEDSBORLPCDSJ-CQSZACIVSA-N 1 2 346.431 0.878 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1C[C@H](Nc2ccc(C#N)nn2)C(C)(C)C1 ZINC001069578762 789914802 /nfs/dbraw/zinc/91/48/02/789914802.db2.gz YRFSLTCLGJSNSZ-AWEZNQCLSA-N 1 2 339.403 0.973 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3C[C@H]3C(=O)OC)c2C1 ZINC001069854265 790101234 /nfs/dbraw/zinc/10/12/34/790101234.db2.gz BOZIQZBNZWGVSB-UONOGXRCSA-N 1 2 332.404 0.700 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3C[C@H]3C(=O)OC)c2C1 ZINC001069854265 790101238 /nfs/dbraw/zinc/10/12/38/790101238.db2.gz BOZIQZBNZWGVSB-UONOGXRCSA-N 1 2 332.404 0.700 20 30 ECEDLO CO[C@H](C)C[N@@H+]1CCn2ncc(CNC(=O)c3c[nH]c(C#N)c3)c2C1 ZINC001069857993 790107955 /nfs/dbraw/zinc/10/79/55/790107955.db2.gz XJNYDBXLSSUSAA-GFCCVEGCSA-N 1 2 342.403 0.863 20 30 ECEDLO CO[C@H](C)C[N@H+]1CCn2ncc(CNC(=O)c3c[nH]c(C#N)c3)c2C1 ZINC001069857993 790107956 /nfs/dbraw/zinc/10/79/56/790107956.db2.gz XJNYDBXLSSUSAA-GFCCVEGCSA-N 1 2 342.403 0.863 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCOCC2)[C@@H](n2ccnn2)C1 ZINC001069916230 790185722 /nfs/dbraw/zinc/18/57/22/790185722.db2.gz LKMUZMFYZATZQO-XHSDSOJGSA-N 1 2 331.420 0.460 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCOCC2)[C@@H](n2ccnn2)C1 ZINC001069916230 790185723 /nfs/dbraw/zinc/18/57/23/790185723.db2.gz LKMUZMFYZATZQO-XHSDSOJGSA-N 1 2 331.420 0.460 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2ccncc2C)[C@@H](n2ccnn2)C1 ZINC001069926186 790197317 /nfs/dbraw/zinc/19/73/17/790197317.db2.gz RLVRXKFGCWPHSE-SJORKVTESA-N 1 2 338.415 0.589 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2ccncc2C)[C@@H](n2ccnn2)C1 ZINC001069926186 790197319 /nfs/dbraw/zinc/19/73/19/790197319.db2.gz RLVRXKFGCWPHSE-SJORKVTESA-N 1 2 338.415 0.589 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cn3c(n2)CCCC3)[C@@H](n2ccnn2)C1 ZINC001069940745 790216240 /nfs/dbraw/zinc/21/62/40/790216240.db2.gz AIGCKVSUDJMQGE-HIFRSBDPSA-N 1 2 339.403 0.099 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn3c(n2)CCCC3)[C@@H](n2ccnn2)C1 ZINC001069940745 790216243 /nfs/dbraw/zinc/21/62/43/790216243.db2.gz AIGCKVSUDJMQGE-HIFRSBDPSA-N 1 2 339.403 0.099 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(Cl)n[nH]c2CC)[C@@H](n2ccnn2)C1 ZINC001069944457 790221966 /nfs/dbraw/zinc/22/19/66/790221966.db2.gz QLLYKPBSQPBMBC-NEPJUHHUSA-N 1 2 347.810 0.506 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(Cl)n[nH]c2CC)[C@@H](n2ccnn2)C1 ZINC001069944457 790221970 /nfs/dbraw/zinc/22/19/70/790221970.db2.gz QLLYKPBSQPBMBC-NEPJUHHUSA-N 1 2 347.810 0.506 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3ccccn23)[C@@H](n2ccnn2)C1 ZINC001069965814 790251944 /nfs/dbraw/zinc/25/19/44/790251944.db2.gz HVMHPVUNBSYXHE-ZBFHGGJFSA-N 1 2 349.398 0.604 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnc3ccccn23)[C@@H](n2ccnn2)C1 ZINC001069965814 790251948 /nfs/dbraw/zinc/25/19/48/790251948.db2.gz HVMHPVUNBSYXHE-ZBFHGGJFSA-N 1 2 349.398 0.604 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2CCC)[C@@H](n2ccnn2)C1 ZINC001069967290 790254295 /nfs/dbraw/zinc/25/42/95/790254295.db2.gz XNQRWQHPHSXFDH-CVEARBPZSA-N 1 2 341.419 0.632 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2CCC)[C@@H](n2ccnn2)C1 ZINC001069967290 790254299 /nfs/dbraw/zinc/25/42/99/790254299.db2.gz XNQRWQHPHSXFDH-CVEARBPZSA-N 1 2 341.419 0.632 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001068836582 791230133 /nfs/dbraw/zinc/23/01/33/791230133.db2.gz JHOSSACATWWFJE-ZDUSSCGKSA-N 1 2 330.388 0.242 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)C[C@H](NC(=O)C#CC1CC1)CO2 ZINC001068860941 791288118 /nfs/dbraw/zinc/28/81/18/791288118.db2.gz VNRHITAKPDDUSY-AWEZNQCLSA-N 1 2 342.399 0.160 20 30 ECEDLO C=CCC(C)(C)C(=O)N[C@@H]1COC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001068874169 791320355 /nfs/dbraw/zinc/32/03/55/791320355.db2.gz KZBMKKKWWQZYAZ-AWEZNQCLSA-N 1 2 346.431 0.972 20 30 ECEDLO C#CCCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)CO2 ZINC001068983416 791549063 /nfs/dbraw/zinc/54/90/63/791549063.db2.gz JRAVFPQPTWAKIR-CQSZACIVSA-N 1 2 344.415 0.632 20 30 ECEDLO CC(C)(C)C#CC(=O)N1CC2(C1)C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)CO2 ZINC001069058813 791664953 /nfs/dbraw/zinc/66/49/53/791664953.db2.gz KNENTDQAKGMATR-CQSZACIVSA-N 1 2 344.415 0.488 20 30 ECEDLO C[C@@H]1C[C@@H](Nc2ccnc(C#N)n2)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001069080711 791685877 /nfs/dbraw/zinc/68/58/77/791685877.db2.gz XRLZAQRAVCFUEQ-VXGBXAGGSA-N 1 2 325.376 0.527 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001066698769 792020432 /nfs/dbraw/zinc/02/04/32/792020432.db2.gz OKTADCHNSHKOIM-ZFWWWQNUSA-N 1 2 339.403 0.231 20 30 ECEDLO Cc1cnc(C)nc1N1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001066699200 792021805 /nfs/dbraw/zinc/02/18/05/792021805.db2.gz UCLHOQUUJRSEMM-CJNGLKHVSA-N 1 2 342.447 0.976 20 30 ECEDLO CC(C)C(=O)N1CC[C@@H]([NH+]2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001066699220 792021829 /nfs/dbraw/zinc/02/18/29/792021829.db2.gz UOCXXIQTCXXBRV-OAHLLOKOSA-N 1 2 328.420 0.727 20 30 ECEDLO C[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH+]2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001066702036 792031509 /nfs/dbraw/zinc/03/15/09/792031509.db2.gz ACPJYDQKGKDIFA-FVQBIDKESA-N 1 2 340.431 0.727 20 30 ECEDLO N#Cc1cnc(N2CCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)cn1 ZINC001066758790 792115427 /nfs/dbraw/zinc/11/54/27/792115427.db2.gz JWVUIETWFNRCQN-LBPRGKRZSA-N 1 2 325.376 0.789 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1)c1ccncc1C#N ZINC001067748599 792219700 /nfs/dbraw/zinc/21/97/00/792219700.db2.gz AQYVMOKTTOGCMQ-WBVHZDCISA-N 1 2 343.431 0.711 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccncc1C#N ZINC001067748599 792219703 /nfs/dbraw/zinc/21/97/03/792219703.db2.gz AQYVMOKTTOGCMQ-WBVHZDCISA-N 1 2 343.431 0.711 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1)c1ccnc(C#N)n1 ZINC001067765076 792249914 /nfs/dbraw/zinc/24/99/14/792249914.db2.gz BVMGSWQCNNXRHM-CYBMUJFWSA-N 1 2 325.376 0.672 20 30 ECEDLO C[C@H]1CCN(c2cnc(C#N)cn2)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067967805 792521704 /nfs/dbraw/zinc/52/17/04/792521704.db2.gz ROCAYYQIZLYQSZ-WCQYABFASA-N 1 2 325.376 0.645 20 30 ECEDLO CC1(C)CN(c2ccc(C#N)nn2)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001068119839 792705381 /nfs/dbraw/zinc/70/53/81/792705381.db2.gz YXYUXGPXTGSROC-LBPRGKRZSA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1Nc1cnc(C#N)cn1 ZINC001067217737 792832400 /nfs/dbraw/zinc/83/24/00/792832400.db2.gz LQZYJPWULNZOSK-SMDDNHRTSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1Nc1cnc(C#N)cn1 ZINC001067217737 792832409 /nfs/dbraw/zinc/83/24/09/792832409.db2.gz LQZYJPWULNZOSK-SMDDNHRTSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@H](Nc1ccncc1C#N)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001068235316 792890032 /nfs/dbraw/zinc/89/00/32/792890032.db2.gz RRXDGXSGLQDEEG-XJKSGUPXSA-N 1 2 340.387 0.300 20 30 ECEDLO CC1(C)CN(c2ccc(C#N)nn2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067327394 792994793 /nfs/dbraw/zinc/99/47/93/792994793.db2.gz XFHPOKTXKZBXSF-AWEZNQCLSA-N 1 2 339.403 0.966 20 30 ECEDLO C[C@H]1C[C@H](CNc2cnc(C#N)cn2)CN1C(=O)Cn1cc[nH+]c1 ZINC001068335865 793070904 /nfs/dbraw/zinc/07/09/04/793070904.db2.gz QYHZUJHISDDTPP-QWHCGFSZSA-N 1 2 325.376 0.894 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067403945 793106554 /nfs/dbraw/zinc/10/65/54/793106554.db2.gz UBTSPBYRFURZLS-QWHCGFSZSA-N 1 2 325.376 0.576 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001067431942 793149799 /nfs/dbraw/zinc/14/97/99/793149799.db2.gz ZIVCYAXVBAUZRW-CABCVRRESA-N 1 2 348.447 0.934 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001067431942 793149807 /nfs/dbraw/zinc/14/98/07/793149807.db2.gz ZIVCYAXVBAUZRW-CABCVRRESA-N 1 2 348.447 0.934 20 30 ECEDLO C=C(C)CCC(=O)N1CCOC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001068403358 793229682 /nfs/dbraw/zinc/22/96/82/793229682.db2.gz LTJNFGUIDWYHEQ-UHFFFAOYSA-N 1 2 332.404 0.748 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCOC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001068436745 793311703 /nfs/dbraw/zinc/31/17/03/793311703.db2.gz QYSUWPLNNJNYGA-KBPBESRZSA-N 1 2 346.431 0.850 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CCOC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001068437992 793313372 /nfs/dbraw/zinc/31/33/72/793313372.db2.gz KROMRVYFTGJRFG-CQSZACIVSA-N 1 2 346.431 0.994 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cccn2C)C1 ZINC001267451364 837431254 /nfs/dbraw/zinc/43/12/54/837431254.db2.gz YYAMJOSSHBTZKI-HNNXBMFYSA-N 1 2 330.432 0.701 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cccn2C)C1 ZINC001267451364 837431258 /nfs/dbraw/zinc/43/12/58/837431258.db2.gz YYAMJOSSHBTZKI-HNNXBMFYSA-N 1 2 330.432 0.701 20 30 ECEDLO C=CCNC(=O)NC(C)(C)C(=O)N(C)CC[NH2+]Cc1nnc(C)o1 ZINC001267474006 837500843 /nfs/dbraw/zinc/50/08/43/837500843.db2.gz NDPBZTQIMKQCNO-UHFFFAOYSA-N 1 2 338.412 0.190 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001267539766 837725097 /nfs/dbraw/zinc/72/50/97/837725097.db2.gz JQKSYUNEVVMKJO-OAHLLOKOSA-N 1 2 341.415 0.562 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001267539766 837725110 /nfs/dbraw/zinc/72/51/10/837725110.db2.gz JQKSYUNEVVMKJO-OAHLLOKOSA-N 1 2 341.415 0.562 20 30 ECEDLO C#CCCCC(=O)N(C)CCN1CC[NH+]([C@@H]2CCN(CC)C2=O)CC1 ZINC001267572635 837811577 /nfs/dbraw/zinc/81/15/77/837811577.db2.gz ROERABAYSMXLGA-QGZVFWFLSA-N 1 2 348.491 0.487 20 30 ECEDLO C#CCCCC(=O)N(C)CC[NH+]1CCN([C@@H]2CCN(CC)C2=O)CC1 ZINC001267572635 837811584 /nfs/dbraw/zinc/81/15/84/837811584.db2.gz ROERABAYSMXLGA-QGZVFWFLSA-N 1 2 348.491 0.487 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)c1cncc2ncn(C)c21 ZINC001267573140 837813976 /nfs/dbraw/zinc/81/39/76/837813976.db2.gz KUAUHMODSDKXEZ-UHFFFAOYSA-N 1 2 341.419 0.181 20 30 ECEDLO C=CCN1CC[NH+](CCN(C)C(=O)c2ccc3n[nH]c(=O)n3c2)CC1 ZINC001267576541 837831293 /nfs/dbraw/zinc/83/12/93/837831293.db2.gz ZQNNEUXNRYVOLG-UHFFFAOYSA-N 1 2 344.419 0.311 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)Oc2ccccc2)C1 ZINC001266248310 835554347 /nfs/dbraw/zinc/55/43/47/835554347.db2.gz JKDQWQUVWZIBRA-HZPDHXFCSA-N 1 2 343.427 0.784 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)Oc2ccccc2)C1 ZINC001266248310 835554352 /nfs/dbraw/zinc/55/43/52/835554352.db2.gz JKDQWQUVWZIBRA-HZPDHXFCSA-N 1 2 343.427 0.784 20 30 ECEDLO C#CCN1CC[NH+](CCNC(=O)Cc2ccc(OC)c(OC)c2)CC1 ZINC001266297670 835648054 /nfs/dbraw/zinc/64/80/54/835648054.db2.gz RXDBQWYJXJVQTR-UHFFFAOYSA-N 1 2 345.443 0.613 20 30 ECEDLO CO[C@H](C(=O)NCC[NH+]1CCN(CC#N)CC1)c1ccc(F)cc1 ZINC001266298261 835652969 /nfs/dbraw/zinc/65/29/69/835652969.db2.gz ASPUYMLEFKTKKR-INIZCTEOSA-N 1 2 334.395 0.771 20 30 ECEDLO C=CCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(=O)N[C@@H](C)COC)C1 ZINC001266307661 835672210 /nfs/dbraw/zinc/67/22/10/835672210.db2.gz IKANWQRQUNPHHM-QWHCGFSZSA-N 1 2 340.424 0.004 20 30 ECEDLO C=CCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(=O)N[C@@H](C)COC)C1 ZINC001266307661 835672214 /nfs/dbraw/zinc/67/22/14/835672214.db2.gz IKANWQRQUNPHHM-QWHCGFSZSA-N 1 2 340.424 0.004 20 30 ECEDLO CC(C)(C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1)[C@@H]1CCCCO1 ZINC001266321250 835693635 /nfs/dbraw/zinc/69/36/35/835693635.db2.gz NAYJMKVAQVBZMW-KBPBESRZSA-N 1 2 336.436 0.412 20 30 ECEDLO CC(C)(C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1)[C@@H]1CCCCO1 ZINC001266321250 835693638 /nfs/dbraw/zinc/69/36/38/835693638.db2.gz NAYJMKVAQVBZMW-KBPBESRZSA-N 1 2 336.436 0.412 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCC(C)(F)F)C1 ZINC001266328180 835709305 /nfs/dbraw/zinc/70/93/05/835709305.db2.gz VSKWBQQAJATYMR-LLVKDONJSA-N 1 2 346.378 0.624 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCC(C)(F)F)C1 ZINC001266328180 835709308 /nfs/dbraw/zinc/70/93/08/835709308.db2.gz VSKWBQQAJATYMR-LLVKDONJSA-N 1 2 346.378 0.624 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C)nnc2CC)C1 ZINC001266327931 835709454 /nfs/dbraw/zinc/70/94/54/835709454.db2.gz OUYYWJFBXLCRKU-ZDUSSCGKSA-N 1 2 331.420 0.454 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)nnc2CC)C1 ZINC001266327931 835709457 /nfs/dbraw/zinc/70/94/57/835709457.db2.gz OUYYWJFBXLCRKU-ZDUSSCGKSA-N 1 2 331.420 0.454 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC001266342439 835728864 /nfs/dbraw/zinc/72/88/64/835728864.db2.gz OWVFQQPCIMUXJY-XLIONFOSSA-N 1 2 339.439 0.688 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC001266342439 835728870 /nfs/dbraw/zinc/72/88/70/835728870.db2.gz OWVFQQPCIMUXJY-XLIONFOSSA-N 1 2 339.439 0.688 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC001266344328 835732512 /nfs/dbraw/zinc/73/25/12/835732512.db2.gz GOQPELUUEDMIHT-MRXNPFEDSA-N 1 2 326.400 0.232 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC001266344328 835732527 /nfs/dbraw/zinc/73/25/27/835732527.db2.gz GOQPELUUEDMIHT-MRXNPFEDSA-N 1 2 326.400 0.232 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)C(=O)NCCCC)C2)nn1 ZINC001266347488 835738124 /nfs/dbraw/zinc/73/81/24/835738124.db2.gz PMFABGHVIAMBIO-KGLIPLIRSA-N 1 2 348.451 0.573 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+]([C@H](C)C(=O)NCCCC)C2)nn1 ZINC001266347488 835738136 /nfs/dbraw/zinc/73/81/36/835738136.db2.gz PMFABGHVIAMBIO-KGLIPLIRSA-N 1 2 348.451 0.573 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2C(C)(C)C)C1 ZINC001266352433 835752554 /nfs/dbraw/zinc/75/25/54/835752554.db2.gz AZXODOWPAOLIFA-GFCCVEGCSA-N 1 2 331.420 0.261 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]nc2C(C)(C)C)C1 ZINC001266352433 835752563 /nfs/dbraw/zinc/75/25/63/835752563.db2.gz AZXODOWPAOLIFA-GFCCVEGCSA-N 1 2 331.420 0.261 20 30 ECEDLO Cc1ccccc1[C@H](C)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001266360751 835769495 /nfs/dbraw/zinc/76/94/95/835769495.db2.gz BTCWFYRMUYSMJE-GJZGRUSLSA-N 1 2 328.416 0.929 20 30 ECEDLO Cc1ccccc1[C@H](C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001266360751 835769501 /nfs/dbraw/zinc/76/95/01/835769501.db2.gz BTCWFYRMUYSMJE-GJZGRUSLSA-N 1 2 328.416 0.929 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001266361407 835770210 /nfs/dbraw/zinc/77/02/10/835770210.db2.gz MOFWPYKEQMOJJG-WFASDCNBSA-N 1 2 345.830 0.920 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001266361407 835770221 /nfs/dbraw/zinc/77/02/21/835770221.db2.gz MOFWPYKEQMOJJG-WFASDCNBSA-N 1 2 345.830 0.920 20 30 ECEDLO Cc1ccccc1C1(C(=O)NCC[N@@H+](C)CC(=O)NCC#N)CC1 ZINC001266367622 835780271 /nfs/dbraw/zinc/78/02/71/835780271.db2.gz GCMWRZRLHSLJJJ-UHFFFAOYSA-N 1 2 328.416 0.714 20 30 ECEDLO Cc1ccccc1C1(C(=O)NCC[N@H+](C)CC(=O)NCC#N)CC1 ZINC001266367622 835780281 /nfs/dbraw/zinc/78/02/81/835780281.db2.gz GCMWRZRLHSLJJJ-UHFFFAOYSA-N 1 2 328.416 0.714 20 30 ECEDLO CCCN(C(=O)c1cn(C)cn1)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC001266386577 835796766 /nfs/dbraw/zinc/79/67/66/835796766.db2.gz KPWKWVVDJIRQNJ-UHFFFAOYSA-N 1 2 346.435 0.376 20 30 ECEDLO Cc1cccc(OCC(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NCC#N)c1 ZINC001266495966 835895239 /nfs/dbraw/zinc/89/52/39/835895239.db2.gz YCNRBZADGMEJKB-OAHLLOKOSA-N 1 2 344.415 0.594 20 30 ECEDLO Cc1cccc(OCC(=O)NC[C@H]2CCC[N@H+]2CC(=O)NCC#N)c1 ZINC001266495966 835895244 /nfs/dbraw/zinc/89/52/44/835895244.db2.gz YCNRBZADGMEJKB-OAHLLOKOSA-N 1 2 344.415 0.594 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2nnc(C3CC3)o2)C1 ZINC001266514278 835925643 /nfs/dbraw/zinc/92/56/43/835925643.db2.gz OXTNNBDZLOIUFE-STQMWFEESA-N 1 2 332.404 0.923 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2nnc(C3CC3)o2)C1 ZINC001266514278 835925649 /nfs/dbraw/zinc/92/56/49/835925649.db2.gz OXTNNBDZLOIUFE-STQMWFEESA-N 1 2 332.404 0.923 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2nnc(CC)o2)C1 ZINC001266749805 836238868 /nfs/dbraw/zinc/23/88/68/836238868.db2.gz MCOQRGZYVVKORN-KGLIPLIRSA-N 1 2 334.420 0.999 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1CCC[N@H+](Cc2nnc(CC)o2)C1 ZINC001266749805 836238880 /nfs/dbraw/zinc/23/88/80/836238880.db2.gz MCOQRGZYVVKORN-KGLIPLIRSA-N 1 2 334.420 0.999 20 30 ECEDLO C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001266814856 836338121 /nfs/dbraw/zinc/33/81/21/836338121.db2.gz YNTRXUYLDKKOSP-CYBMUJFWSA-N 1 2 344.419 0.476 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C)nn1 ZINC001266842361 836368468 /nfs/dbraw/zinc/36/84/68/836368468.db2.gz MEOLZLHVPRFQSL-AWEZNQCLSA-N 1 2 329.404 0.119 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C)nn1 ZINC001266842361 836368474 /nfs/dbraw/zinc/36/84/74/836368474.db2.gz MEOLZLHVPRFQSL-AWEZNQCLSA-N 1 2 329.404 0.119 20 30 ECEDLO C=CCCC(=O)N1CCC[C@@H](C(=O)NCC[NH2+]Cc2nnc(C)o2)C1 ZINC001267001601 836592818 /nfs/dbraw/zinc/59/28/18/836592818.db2.gz SXDKDPFHROUOJN-CQSZACIVSA-N 1 2 349.435 0.789 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1c[nH]nc1-c1ccccn1 ZINC001267199140 836970187 /nfs/dbraw/zinc/97/01/87/836970187.db2.gz KKENSTOXAKXHQA-UHFFFAOYSA-N 1 2 342.403 0.436 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1c[nH]nc1-c1ccccn1 ZINC001267199140 836970194 /nfs/dbraw/zinc/97/01/94/836970194.db2.gz KKENSTOXAKXHQA-UHFFFAOYSA-N 1 2 342.403 0.436 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cnn(-c2ccccc2)n1 ZINC001267229583 837029236 /nfs/dbraw/zinc/02/92/36/837029236.db2.gz QHHPLMJDIBZKCM-UHFFFAOYSA-N 1 2 342.403 0.231 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cnn(-c2ccccc2)n1 ZINC001267229583 837029245 /nfs/dbraw/zinc/02/92/45/837029245.db2.gz QHHPLMJDIBZKCM-UHFFFAOYSA-N 1 2 342.403 0.231 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)COc1ccc(Cl)cc1 ZINC001267229890 837031651 /nfs/dbraw/zinc/03/16/51/837031651.db2.gz OYAVYALJYPGHBB-UHFFFAOYSA-N 1 2 337.807 0.516 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)COc1ccc(Cl)cc1 ZINC001267229890 837031664 /nfs/dbraw/zinc/03/16/64/837031664.db2.gz OYAVYALJYPGHBB-UHFFFAOYSA-N 1 2 337.807 0.516 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCNC(=O)c2ccn(C)n2)c1 ZINC001267230619 837034223 /nfs/dbraw/zinc/03/42/23/837034223.db2.gz VYUATNRDQKOYNG-UHFFFAOYSA-N 1 2 339.399 0.702 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCNC(=O)c2ccn(C)n2)c1 ZINC001267230619 837034237 /nfs/dbraw/zinc/03/42/37/837034237.db2.gz VYUATNRDQKOYNG-UHFFFAOYSA-N 1 2 339.399 0.702 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001267270711 837110258 /nfs/dbraw/zinc/11/02/58/837110258.db2.gz VYGLEIIDQYBKBD-NEPJUHHUSA-N 1 2 328.363 0.642 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001267270711 837110261 /nfs/dbraw/zinc/11/02/61/837110261.db2.gz VYGLEIIDQYBKBD-NEPJUHHUSA-N 1 2 328.363 0.642 20 30 ECEDLO CC(C)Cn1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NCC#N)n1 ZINC001267270447 837110661 /nfs/dbraw/zinc/11/06/61/837110661.db2.gz URUUJHYGINOZLP-CQSZACIVSA-N 1 2 346.435 0.373 20 30 ECEDLO CC(C)Cn1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NCC#N)n1 ZINC001267270447 837110669 /nfs/dbraw/zinc/11/06/69/837110669.db2.gz URUUJHYGINOZLP-CQSZACIVSA-N 1 2 346.435 0.373 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N[C@H](C)CC ZINC001267404961 837375662 /nfs/dbraw/zinc/37/56/62/837375662.db2.gz FIEPNHZMHUOXJO-OAGGEKHMSA-N 1 2 335.448 0.616 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N[C@H](C)CC ZINC001267404961 837375671 /nfs/dbraw/zinc/37/56/71/837375671.db2.gz FIEPNHZMHUOXJO-OAGGEKHMSA-N 1 2 335.448 0.616 20 30 ECEDLO C=C(Cl)CN1CC[NH+](CCN(C)C(=O)[C@@H]2CCCNC2=O)CC1 ZINC001267607766 837951741 /nfs/dbraw/zinc/95/17/41/837951741.db2.gz UFXVEGXYYZBJLP-CQSZACIVSA-N 1 2 342.871 0.341 20 30 ECEDLO C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](NC(=O)C#CC(C)(C)C)C2)CCO1 ZINC001267614227 837988699 /nfs/dbraw/zinc/98/86/99/837988699.db2.gz DUEVXRDAJIYMCP-JKSUJKDBSA-N 1 2 349.475 0.864 20 30 ECEDLO C[C@H]1CN(C(=O)C[N@H+]2CCC[C@@H](NC(=O)C#CC(C)(C)C)C2)CCO1 ZINC001267614227 837988711 /nfs/dbraw/zinc/98/87/11/837988711.db2.gz DUEVXRDAJIYMCP-JKSUJKDBSA-N 1 2 349.475 0.864 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)c2cc(C)nn2C)C1 ZINC001267622643 838065693 /nfs/dbraw/zinc/06/56/93/838065693.db2.gz JEXXRZLVCOKGDA-KGLIPLIRSA-N 1 2 331.420 0.061 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2cc(C)nn2C)C1 ZINC001267622643 838065702 /nfs/dbraw/zinc/06/57/02/838065702.db2.gz JEXXRZLVCOKGDA-KGLIPLIRSA-N 1 2 331.420 0.061 20 30 ECEDLO C=CCOCC[NH+]1CC(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001267670649 838204444 /nfs/dbraw/zinc/20/44/44/838204444.db2.gz UTNMGTWSILLNRR-CQSZACIVSA-N 1 2 335.448 0.781 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[NH+]1CC(CNC(=O)C2CCOCC2)C1 ZINC001267674119 838220066 /nfs/dbraw/zinc/22/00/66/838220066.db2.gz RPLRZFCSDCCURS-UHFFFAOYSA-N 1 2 337.464 0.886 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2ccoc2)C1 ZINC001267675176 838221197 /nfs/dbraw/zinc/22/11/97/838221197.db2.gz PJNJNTKDSVJWGF-NSHDSACASA-N 1 2 334.376 0.342 20 30 ECEDLO C=CCOCC(=O)NCC1C[NH+](CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001267679405 838236743 /nfs/dbraw/zinc/23/67/43/838236743.db2.gz PVFAQDYXDQTKHI-CYBMUJFWSA-N 1 2 330.450 0.062 20 30 ECEDLO CC(C)(C)C#CC(=O)NCC1C[NH+](CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001267679900 838240060 /nfs/dbraw/zinc/24/00/60/838240060.db2.gz DCYUFJKJBHNBMI-CQSZACIVSA-N 1 2 340.489 0.909 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)c2cnn(C3CCC3)c2)C1 ZINC001267682380 838244979 /nfs/dbraw/zinc/24/49/79/838244979.db2.gz VBJWKKLVAAMFAP-UHFFFAOYSA-N 1 2 329.404 0.019 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2ccc(COC)o2)C1 ZINC001267686673 838249812 /nfs/dbraw/zinc/24/98/12/838249812.db2.gz SJECTTYIOCVRLZ-LBPRGKRZSA-N 1 2 335.404 0.778 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2cc3ccccc3nn2)C1 ZINC001267686792 838250227 /nfs/dbraw/zinc/25/02/27/838250227.db2.gz TUILRGOULMRPGB-UHFFFAOYSA-N 1 2 339.399 0.594 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@@H](OCC)C2CCCC2)C1 ZINC001267685922 838252848 /nfs/dbraw/zinc/25/28/48/838252848.db2.gz JJJSZRNGNQJTJV-PBHICJAKSA-N 1 2 349.475 0.768 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2c[nH]c3ccccc23)C1 ZINC001267688673 838254420 /nfs/dbraw/zinc/25/44/20/838254420.db2.gz RRXHQWJVQDCXIO-CYBMUJFWSA-N 1 2 338.411 0.967 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)c2coc(CC3CC3)n2)C1 ZINC001267695268 838286710 /nfs/dbraw/zinc/28/67/10/838286710.db2.gz PIILARIOSFZELL-UHFFFAOYSA-N 1 2 330.388 0.038 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H](C)c2cccnc2)C1 ZINC001267697584 838287370 /nfs/dbraw/zinc/28/73/70/838287370.db2.gz MQRSMDMUTQJXBT-KBPBESRZSA-N 1 2 328.416 0.371 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001267699475 838294430 /nfs/dbraw/zinc/29/44/30/838294430.db2.gz UIPIQEYECIBFDN-ZDUSSCGKSA-N 1 2 331.391 0.727 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2ocnc2C)C1 ZINC001267721302 838375148 /nfs/dbraw/zinc/37/51/48/838375148.db2.gz QPZGYKUYPBHNOU-NEPJUHHUSA-N 1 2 349.391 0.187 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2ocnc2C)C1 ZINC001267721302 838375156 /nfs/dbraw/zinc/37/51/56/838375156.db2.gz QPZGYKUYPBHNOU-NEPJUHHUSA-N 1 2 349.391 0.187 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C)cn3ccnc23)C1 ZINC001267727076 838404738 /nfs/dbraw/zinc/40/47/38/838404738.db2.gz IXHRPUXNWFAKFR-AWEZNQCLSA-N 1 2 341.415 0.749 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)cn3ccnc23)C1 ZINC001267727076 838404744 /nfs/dbraw/zinc/40/47/44/838404744.db2.gz IXHRPUXNWFAKFR-AWEZNQCLSA-N 1 2 341.415 0.749 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2cccnc2OC)C1 ZINC001267730692 838417209 /nfs/dbraw/zinc/41/72/09/838417209.db2.gz VXJUANLPUSHUJO-OLZOCXBDSA-N 1 2 330.388 0.032 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cccnc2OC)C1 ZINC001267730692 838417214 /nfs/dbraw/zinc/41/72/14/838417214.db2.gz VXJUANLPUSHUJO-OLZOCXBDSA-N 1 2 330.388 0.032 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(Cl)s2)C1 ZINC001267749824 838467972 /nfs/dbraw/zinc/46/79/72/838467972.db2.gz POCVGLIEENHLSO-SNVBAGLBSA-N 1 2 340.836 0.774 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(Cl)s2)C1 ZINC001267749824 838467978 /nfs/dbraw/zinc/46/79/78/838467978.db2.gz POCVGLIEENHLSO-SNVBAGLBSA-N 1 2 340.836 0.774 20 30 ECEDLO COCC#CC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(F)cc2)C1 ZINC001267750308 838469441 /nfs/dbraw/zinc/46/94/41/838469441.db2.gz ZJRSZEHZSPCXLT-MRXNPFEDSA-N 1 2 347.390 0.282 20 30 ECEDLO COCC#CC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(F)cc2)C1 ZINC001267750308 838469448 /nfs/dbraw/zinc/46/94/48/838469448.db2.gz ZJRSZEHZSPCXLT-MRXNPFEDSA-N 1 2 347.390 0.282 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2nn(CC)nc2C)C1 ZINC001267754242 838476768 /nfs/dbraw/zinc/47/67/68/838476768.db2.gz XZFWKOSDJNPFEC-QWHCGFSZSA-N 1 2 334.424 0.101 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2nn(CC)nc2C)C1 ZINC001267754242 838476774 /nfs/dbraw/zinc/47/67/74/838476774.db2.gz XZFWKOSDJNPFEC-QWHCGFSZSA-N 1 2 334.424 0.101 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(CC3CC3)c2)C1 ZINC001267774656 838537619 /nfs/dbraw/zinc/53/76/19/838537619.db2.gz JANSKCCSJGJHKH-MRXNPFEDSA-N 1 2 345.447 0.742 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(CC3CC3)c2)C1 ZINC001267774656 838537625 /nfs/dbraw/zinc/53/76/25/838537625.db2.gz JANSKCCSJGJHKH-MRXNPFEDSA-N 1 2 345.447 0.742 20 30 ECEDLO CCO[C@@H](C(=O)N(CC)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1)C1CC1 ZINC001267784872 838561021 /nfs/dbraw/zinc/56/10/21/838561021.db2.gz AVXWWEGJWFJSRQ-GDBMZVCRSA-N 1 2 336.436 0.364 20 30 ECEDLO CCO[C@@H](C(=O)N(CC)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1)C1CC1 ZINC001267784872 838561031 /nfs/dbraw/zinc/56/10/31/838561031.db2.gz AVXWWEGJWFJSRQ-GDBMZVCRSA-N 1 2 336.436 0.364 20 30 ECEDLO C#Cc1cncc(C(=O)N(CC)[C@H]2CC[N@H+](CC(=O)NCC#N)C2)c1 ZINC001267789005 838569503 /nfs/dbraw/zinc/56/95/03/838569503.db2.gz DJHNMUGQNLAYDC-INIZCTEOSA-N 1 2 339.399 0.239 20 30 ECEDLO C#Cc1cncc(C(=O)N(CC)[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)c1 ZINC001267789005 838569510 /nfs/dbraw/zinc/56/95/10/838569510.db2.gz DJHNMUGQNLAYDC-INIZCTEOSA-N 1 2 339.399 0.239 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001267789720 838570205 /nfs/dbraw/zinc/57/02/05/838570205.db2.gz KIQUZUUQAYRKLE-RYUDHWBXSA-N 1 2 342.827 0.650 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001267789720 838570210 /nfs/dbraw/zinc/57/02/10/838570210.db2.gz KIQUZUUQAYRKLE-RYUDHWBXSA-N 1 2 342.827 0.650 20 30 ECEDLO CC(C)C#CC(=O)NC[C@H]1C[N@H+](Cc2ccn(C)c(=O)c2)CCO1 ZINC001268020856 838994675 /nfs/dbraw/zinc/99/46/75/838994675.db2.gz MOXFRNZVXRREQM-INIZCTEOSA-N 1 2 331.416 0.362 20 30 ECEDLO CC(C)C#CC(=O)NC[C@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)CCO1 ZINC001268020856 838994683 /nfs/dbraw/zinc/99/46/83/838994683.db2.gz MOXFRNZVXRREQM-INIZCTEOSA-N 1 2 331.416 0.362 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](CCOCC3CC3)CCO2)cn1 ZINC001268031123 839057201 /nfs/dbraw/zinc/05/72/01/839057201.db2.gz ZMGBIOHGGPQWTB-GOSISDBHSA-N 1 2 343.427 0.920 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCOCC3CC3)CCO2)cn1 ZINC001268031123 839057211 /nfs/dbraw/zinc/05/72/11/839057211.db2.gz ZMGBIOHGGPQWTB-GOSISDBHSA-N 1 2 343.427 0.920 20 30 ECEDLO N#Cc1cncc(N2CC[NH+](CC(=O)NC3CCCCC3)CC2)n1 ZINC000420586116 209394802 /nfs/dbraw/zinc/39/48/02/209394802.db2.gz OIHLSECTSLTHCB-UHFFFAOYSA-N 1 2 328.420 0.919 20 30 ECEDLO C[C@@H](NS(=O)(=O)N(C)CCC#N)C1([NH+]2CCOCC2)CCCC1 ZINC000125461892 296137435 /nfs/dbraw/zinc/13/74/35/296137435.db2.gz ZGUSPQVYBKNDRW-CQSZACIVSA-N 1 2 344.481 0.700 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)[C@@H](C)C1 ZINC000189092198 296186632 /nfs/dbraw/zinc/18/66/32/296186632.db2.gz FNGQXYJUAIAGII-NWDGAFQWSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)[C@@H](C)C1 ZINC000189092198 296186633 /nfs/dbraw/zinc/18/66/33/296186633.db2.gz FNGQXYJUAIAGII-NWDGAFQWSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(c2ncc(C#N)cc2F)CC1 ZINC000413207915 208296687 /nfs/dbraw/zinc/29/66/87/208296687.db2.gz RMDCGWPOBDKFGD-CYBMUJFWSA-N 1 2 347.394 0.462 20 30 ECEDLO C[C@H](CN1CCCC1=O)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000328767757 254591831 /nfs/dbraw/zinc/59/18/31/254591831.db2.gz HUYKQBSFAKFKSP-CYBMUJFWSA-N 1 2 326.441 0.612 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000425907681 254785354 /nfs/dbraw/zinc/78/53/54/254785354.db2.gz DCXRWGYSWFSPCI-KBPBESRZSA-N 1 2 332.404 0.823 20 30 ECEDLO CON=CC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000495633454 255027232 /nfs/dbraw/zinc/02/72/32/255027232.db2.gz LGIIWRQLWIQOLJ-CYBMUJFWSA-N 1 2 340.424 0.772 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000496289722 255088186 /nfs/dbraw/zinc/08/81/86/255088186.db2.gz DMJXGZUXSUZKMI-UHFFFAOYSA-N 1 2 338.452 0.526 20 30 ECEDLO N#Cc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1Cl ZINC000154940890 224330571 /nfs/dbraw/zinc/33/05/71/224330571.db2.gz STCMPVGCNWMZTB-UHFFFAOYSA-N 1 2 336.779 0.287 20 30 ECEDLO O=C(NC[C@H]1CCCCS1(=O)=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000329766831 296478082 /nfs/dbraw/zinc/47/80/82/296478082.db2.gz YQNCPHPOAHBBEL-UONOGXRCSA-N 1 2 327.450 0.814 20 30 ECEDLO CC(C)n1cc(C#N)c(NC(=O)C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)n1 ZINC000540272142 421224406 /nfs/dbraw/zinc/22/44/06/421224406.db2.gz XPPCWZCEAKNOIS-LBPRGKRZSA-N 1 2 348.407 0.111 20 30 ECEDLO CC(C)n1cc(C#N)c(NC(=O)C(=O)NCC[N@H+]2CCO[C@@H](C)C2)n1 ZINC000540272142 421224407 /nfs/dbraw/zinc/22/44/07/421224407.db2.gz XPPCWZCEAKNOIS-LBPRGKRZSA-N 1 2 348.407 0.111 20 30 ECEDLO C[N@@H+]1CC[C@@H](NC(=O)Cn2cnc(C#N)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000179343475 263155804 /nfs/dbraw/zinc/15/58/04/263155804.db2.gz IVQWXRDBHCODAY-CJNGLKHVSA-N 1 2 346.341 0.990 20 30 ECEDLO C[N@H+]1CC[C@@H](NC(=O)Cn2cnc(C#N)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000179343475 263155805 /nfs/dbraw/zinc/15/58/05/263155805.db2.gz IVQWXRDBHCODAY-CJNGLKHVSA-N 1 2 346.341 0.990 20 30 ECEDLO N#Cc1ccc(CN2CC[N@@H+](CCCC(=O)NC(N)=O)CC2=O)cc1 ZINC000363058537 270007248 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20 30 ECEDLO C[C@H]([C@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)[NH+]1CCOCC1 ZINC000290340857 267206886 /nfs/dbraw/zinc/20/68/86/267206886.db2.gz XPMSZNUVUIDTAR-NWDGAFQWSA-N 1 2 348.378 0.861 20 30 ECEDLO Cn1c(C#N)ccc1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000529753703 268112798 /nfs/dbraw/zinc/11/27/98/268112798.db2.gz RYBUVFLQPUENCT-KRWDZBQOSA-N 1 2 332.404 0.242 20 30 ECEDLO Cn1c(C#N)ccc1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000529753703 268112800 /nfs/dbraw/zinc/11/28/00/268112800.db2.gz RYBUVFLQPUENCT-KRWDZBQOSA-N 1 2 332.404 0.242 20 30 ECEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@H](S(N)(=O)=O)C3)C2=O)cc1 ZINC000331479227 268113333 /nfs/dbraw/zinc/11/33/33/268113333.db2.gz QCIJONGLCORUPR-GJZGRUSLSA-N 1 2 348.428 0.416 20 30 ECEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@H](S(N)(=O)=O)C3)C2=O)cc1 ZINC000331479227 268113335 /nfs/dbraw/zinc/11/33/35/268113335.db2.gz QCIJONGLCORUPR-GJZGRUSLSA-N 1 2 348.428 0.416 20 30 ECEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CC(=O)NCC2CC2)c1=O ZINC000514639058 268179965 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/nfs/dbraw/zinc/09/77/28/436097728.db2.gz SFWYHXNZDDEVLN-UHFFFAOYSA-N 1 2 348.378 0.499 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000022818451 436120848 /nfs/dbraw/zinc/12/08/48/436120848.db2.gz VCWPDXKHZWZFFN-UHFFFAOYSA-N 1 2 338.415 0.079 20 30 ECEDLO N#Cc1cccnc1N1CCC[N@@H+](CC(=O)NC2CCOCC2)CC1 ZINC000076292860 436200981 /nfs/dbraw/zinc/20/09/81/436200981.db2.gz QWDADVILIAQLMS-UHFFFAOYSA-N 1 2 343.431 0.761 20 30 ECEDLO N#Cc1cccnc1N1CCC[N@H+](CC(=O)NC2CCOCC2)CC1 ZINC000076292860 436200988 /nfs/dbraw/zinc/20/09/88/436200988.db2.gz QWDADVILIAQLMS-UHFFFAOYSA-N 1 2 343.431 0.761 20 30 ECEDLO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000041281211 436272398 /nfs/dbraw/zinc/27/23/98/436272398.db2.gz FCJQZXDUZPTYAK-MRXNPFEDSA-N 1 2 344.415 0.970 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2nn(CC)c(=O)cc2C1 ZINC000078615010 436273235 /nfs/dbraw/zinc/27/32/35/436273235.db2.gz YGLKFPQYYOLSQN-CYBMUJFWSA-N 1 2 331.420 0.629 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2nn(CC)c(=O)cc2C1 ZINC000078615010 436273238 /nfs/dbraw/zinc/27/32/38/436273238.db2.gz YGLKFPQYYOLSQN-CYBMUJFWSA-N 1 2 331.420 0.629 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000078686772 436276282 /nfs/dbraw/zinc/27/62/82/436276282.db2.gz OIUYIODASQHESI-KRWDZBQOSA-N 1 2 335.452 0.589 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)/C=C/c1ccccc1C#N ZINC000082984548 436366189 /nfs/dbraw/zinc/36/61/89/436366189.db2.gz ZGPYSELQVPVRAT-DKRLNXSXSA-N 1 2 329.400 0.723 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2cccc(F)c2F)CC1 ZINC000087304494 436397592 /nfs/dbraw/zinc/39/75/92/436397592.db2.gz OTIAGKZOMLRZRJ-UHFFFAOYSA-N 1 2 349.381 0.791 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2F)CC1 ZINC000087304494 436397596 /nfs/dbraw/zinc/39/75/96/436397596.db2.gz OTIAGKZOMLRZRJ-UHFFFAOYSA-N 1 2 349.381 0.791 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2cc(S(=O)(=O)NC)oc2C)CC1 ZINC000081728742 436354916 /nfs/dbraw/zinc/35/49/16/436354916.db2.gz 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ZINC000106331985 436592040 /nfs/dbraw/zinc/59/20/40/436592040.db2.gz GNJLLEUNURSOJR-IRXDYDNUSA-N 1 2 344.415 0.994 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2nccn2CC(F)(F)F)CC1 ZINC000057872049 436616647 /nfs/dbraw/zinc/61/66/47/436616647.db2.gz HEFPDNQCHDKSKM-UHFFFAOYSA-N 1 2 345.369 0.865 20 30 ECEDLO N#C[C@H](NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000121146926 436708817 /nfs/dbraw/zinc/70/88/17/436708817.db2.gz YASNFAMJHASPQQ-HNNXBMFYSA-N 1 2 341.415 0.929 20 30 ECEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000272272397 436709863 /nfs/dbraw/zinc/70/98/63/436709863.db2.gz LPEDWWPBMMTWSB-UHFFFAOYSA-N 1 2 346.387 0.173 20 30 ECEDLO C=CC[N@H+](CCc1ccco1)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000272272397 436709867 /nfs/dbraw/zinc/70/98/67/436709867.db2.gz LPEDWWPBMMTWSB-UHFFFAOYSA-N 1 2 346.387 0.173 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000119172167 436666360 /nfs/dbraw/zinc/66/63/60/436666360.db2.gz DDBKKQIWBVAISR-UHFFFAOYSA-N 1 2 345.355 0.954 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2cc(C(=O)OC)oc2C)CC1 ZINC000143205252 436673850 /nfs/dbraw/zinc/67/38/50/436673850.db2.gz RKLAFFHNONJLRG-UHFFFAOYSA-N 1 2 335.404 0.794 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(C(=O)OC)oc2C)CC1 ZINC000143205252 436673852 /nfs/dbraw/zinc/67/38/52/436673852.db2.gz RKLAFFHNONJLRG-UHFFFAOYSA-N 1 2 335.404 0.794 20 30 ECEDLO C#CCCN1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273022130 436732926 /nfs/dbraw/zinc/73/29/26/436732926.db2.gz CBWNWKRPCXHCKM-HNNXBMFYSA-N 1 2 333.388 0.975 20 30 ECEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)COc2ccccc2C#N)CC1 ZINC000068104924 436735581 /nfs/dbraw/zinc/73/55/81/436735581.db2.gz DHGHLDMDNFESNG-UHFFFAOYSA-N 1 2 344.415 0.607 20 30 ECEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)COc2ccccc2C#N)CC1 ZINC000068104924 436735583 /nfs/dbraw/zinc/73/55/83/436735583.db2.gz DHGHLDMDNFESNG-UHFFFAOYSA-N 1 2 344.415 0.607 20 30 ECEDLO C#CC[NH+]1CCN(CN2C(=O)N[C@@]3(C[C@H](C)C[C@H](C)C3)C2=O)CC1 ZINC000245622981 436765972 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ZINC000601262327 438836369 /nfs/dbraw/zinc/83/63/69/438836369.db2.gz ZWXOQDVNVRYUSF-GJZGRUSLSA-N 1 2 330.436 0.719 20 30 ECEDLO CO[C@]1(CO)CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000595659920 438841505 /nfs/dbraw/zinc/84/15/05/438841505.db2.gz QYFLNEZSTKLJFS-OAHLLOKOSA-N 1 2 339.417 0.200 20 30 ECEDLO CO[C@]1(CO)CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000595659920 438841510 /nfs/dbraw/zinc/84/15/10/438841510.db2.gz QYFLNEZSTKLJFS-OAHLLOKOSA-N 1 2 339.417 0.200 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000601454013 438901143 /nfs/dbraw/zinc/90/11/43/438901143.db2.gz ZXYCENRDKGENSD-HZSPNIEDSA-N 1 2 344.481 0.554 20 30 ECEDLO COc1cc(CNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)ccc1C#N ZINC000601416815 438884034 /nfs/dbraw/zinc/88/40/34/438884034.db2.gz ZSOTWAHYORUNQN-CQSZACIVSA-N 1 2 339.417 0.317 20 30 ECEDLO COc1cc(CNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC000601416815 438884037 /nfs/dbraw/zinc/88/40/37/438884037.db2.gz ZSOTWAHYORUNQN-CQSZACIVSA-N 1 2 339.417 0.317 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)[C@H]1C[N@H+](C)CCO1 ZINC000589902017 438889507 /nfs/dbraw/zinc/88/95/07/438889507.db2.gz NIDMYVAXGXJUAL-QMTHXVAHSA-N 1 2 327.381 0.695 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000589902017 438889513 /nfs/dbraw/zinc/88/95/13/438889513.db2.gz NIDMYVAXGXJUAL-QMTHXVAHSA-N 1 2 327.381 0.695 20 30 ECEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@@H](C#N)C1 ZINC000578287064 438909873 /nfs/dbraw/zinc/90/98/73/438909873.db2.gz UOJIWBSBOTZRHW-UONOGXRCSA-N 1 2 333.392 0.234 20 30 ECEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@@H](C#N)C1 ZINC000578287064 438909879 /nfs/dbraw/zinc/90/98/79/438909879.db2.gz UOJIWBSBOTZRHW-UONOGXRCSA-N 1 2 333.392 0.234 20 30 ECEDLO O=C(NCC#CCO)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000565203381 438926471 /nfs/dbraw/zinc/92/64/71/438926471.db2.gz HQOSYXLUKYTXJF-HNNXBMFYSA-N 1 2 332.404 0.129 20 30 ECEDLO O=C(NCC#CCO)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000565203381 438926474 /nfs/dbraw/zinc/92/64/74/438926474.db2.gz HQOSYXLUKYTXJF-HNNXBMFYSA-N 1 2 332.404 0.129 20 30 ECEDLO O=C(NCC#CCO)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000565203386 438926912 /nfs/dbraw/zinc/92/69/12/438926912.db2.gz HQOSYXLUKYTXJF-OAHLLOKOSA-N 1 2 332.404 0.129 20 30 ECEDLO O=C(NCC#CCO)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000565203386 438926917 /nfs/dbraw/zinc/92/69/17/438926917.db2.gz HQOSYXLUKYTXJF-OAHLLOKOSA-N 1 2 332.404 0.129 20 30 ECEDLO Cn1c(NCC2CC[NH+](CC(F)F)CC2)c(C#N)c(=O)n(C)c1=O ZINC000590567421 438934350 /nfs/dbraw/zinc/93/43/50/438934350.db2.gz CJESPKAECYWGNH-UHFFFAOYSA-N 1 2 341.362 0.345 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCn3c[nH+]cc3C2)CC1 ZINC000590600345 438938462 /nfs/dbraw/zinc/93/84/62/438938462.db2.gz USJKNFXOKBOQMR-INIZCTEOSA-N 1 2 330.436 0.391 20 30 ECEDLO CCOC(=O)c1cc(CN(CCC#N)CC[NH+]2CCOCC2)on1 ZINC000590594795 438939487 /nfs/dbraw/zinc/93/94/87/438939487.db2.gz RQTJHIMNQFRYGJ-UHFFFAOYSA-N 1 2 336.392 0.899 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCc3[nH+]c[nH]c3C2)CC1 ZINC000590601091 438940922 /nfs/dbraw/zinc/94/09/22/438940922.db2.gz QDQALJISWCXWIT-MRXNPFEDSA-N 1 2 330.436 0.460 20 30 ECEDLO C=CCn1cc(CNC(=O)N2CCN(CC)[C@H](c3[nH]cc[nH+]3)C2)nn1 ZINC000565418419 438948144 /nfs/dbraw/zinc/94/81/44/438948144.db2.gz LWCBLGSVIPYAAI-AWEZNQCLSA-N 1 2 344.423 0.776 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000565541558 438959859 /nfs/dbraw/zinc/95/98/59/438959859.db2.gz SICOGFUMAUNEIK-MRXNPFEDSA-N 1 2 329.360 0.062 20 30 ECEDLO N#CC1(NC(=O)C[NH+]2CCC3(CC2)CCS(=O)(=O)CC3)CCC1 ZINC000565575215 438962644 /nfs/dbraw/zinc/96/26/44/438962644.db2.gz JVTKNOYJJOSTOQ-UHFFFAOYSA-N 1 2 339.461 0.840 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000602024800 438999803 /nfs/dbraw/zinc/99/98/03/438999803.db2.gz WMWMCAJMKXJAJR-NSHDSACASA-N 1 2 334.351 0.473 20 30 ECEDLO COC(=O)CN(CC#N)C(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000602103965 439012470 /nfs/dbraw/zinc/01/24/70/439012470.db2.gz RQBYAIJELAIKOX-HNNXBMFYSA-N 1 2 331.372 0.795 20 30 ECEDLO COC(=O)CN(CC#N)C(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000602103965 439012474 /nfs/dbraw/zinc/01/24/74/439012474.db2.gz RQBYAIJELAIKOX-HNNXBMFYSA-N 1 2 331.372 0.795 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC000597021466 439030553 /nfs/dbraw/zinc/03/05/53/439030553.db2.gz MKIREYGYKNJDDV-CYBMUJFWSA-N 1 2 332.408 0.299 20 30 ECEDLO CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597451742 439102797 /nfs/dbraw/zinc/10/27/97/439102797.db2.gz QVJFPENBTSANAU-JTQLQIEISA-N 1 2 327.392 0.783 20 30 ECEDLO CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597451742 439102801 /nfs/dbraw/zinc/10/28/01/439102801.db2.gz QVJFPENBTSANAU-JTQLQIEISA-N 1 2 327.392 0.783 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000478979592 439112532 /nfs/dbraw/zinc/11/25/32/439112532.db2.gz FXBYCSNLQXSVND-HNNXBMFYSA-N 1 2 332.404 0.460 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[NH2+]Cc2nnnn2CC2CC2)c1 ZINC000591761455 439081759 /nfs/dbraw/zinc/08/17/59/439081759.db2.gz XSSJTUSJPHIXDJ-UHFFFAOYSA-N 1 2 346.416 0.518 20 30 ECEDLO Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CCN(CCC#N)CC1 ZINC000602748396 439129815 /nfs/dbraw/zinc/12/98/15/439129815.db2.gz MMAPFWCPDMBPBF-UHFFFAOYSA-N 1 2 332.452 0.596 20 30 ECEDLO N#CCCN(CCC#N)C(=O)CN1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000522010334 439139768 /nfs/dbraw/zinc/13/97/68/439139768.db2.gz AEOJQZPSVAUQAE-INIZCTEOSA-N 1 2 333.436 0.439 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)nn1 ZINC000580888966 439144019 /nfs/dbraw/zinc/14/40/19/439144019.db2.gz UDRGLODHWUAVEX-UHFFFAOYSA-N 1 2 343.435 0.936 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)nn1 ZINC000580888966 439144021 /nfs/dbraw/zinc/14/40/21/439144021.db2.gz UDRGLODHWUAVEX-UHFFFAOYSA-N 1 2 343.435 0.936 20 30 ECEDLO N#Cc1cnccc1C[NH+]1CCC(n2cnc(C(N)=O)c2N)CC1 ZINC000592122130 439162358 /nfs/dbraw/zinc/16/23/58/439162358.db2.gz XJTCKXUMRKKZHB-UHFFFAOYSA-N 1 2 325.376 0.668 20 30 ECEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)c1c(N)n(CCOC)c(=O)[nH]c1=O ZINC000489503950 439230853 /nfs/dbraw/zinc/23/08/53/439230853.db2.gz ZUKDKMZLFJWOQB-LLVKDONJSA-N 1 2 336.392 0.401 20 30 ECEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)c1c(N)n(CCOC)c(=O)[nH]c1=O ZINC000489503950 439230858 /nfs/dbraw/zinc/23/08/58/439230858.db2.gz ZUKDKMZLFJWOQB-LLVKDONJSA-N 1 2 336.392 0.401 20 30 ECEDLO Cc1cccn2cc(CC(=O)N3CCN(C(=O)CC#N)CC3)[nH+]c12 ZINC000568473559 439251796 /nfs/dbraw/zinc/25/17/96/439251796.db2.gz UEDWIMBRWGCUHR-UHFFFAOYSA-N 1 2 325.372 0.770 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000527136480 439254722 /nfs/dbraw/zinc/25/47/22/439254722.db2.gz DJESZJMSBUQXDQ-RYUDHWBXSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000527136480 439254724 /nfs/dbraw/zinc/25/47/24/439254724.db2.gz DJESZJMSBUQXDQ-RYUDHWBXSA-N 1 2 341.408 0.773 20 30 ECEDLO C#CC[N@@H+](C[C@@H]1CC(C(=O)OC)=C(C)O1)[C@H]1CCS(=O)(=O)C1 ZINC000490921977 439312292 /nfs/dbraw/zinc/31/22/92/439312292.db2.gz BFMFVOVUXWNNCY-STQMWFEESA-N 1 2 327.402 0.345 20 30 ECEDLO C#CC[N@H+](C[C@@H]1CC(C(=O)OC)=C(C)O1)[C@H]1CCS(=O)(=O)C1 ZINC000490921977 439312294 /nfs/dbraw/zinc/31/22/94/439312294.db2.gz BFMFVOVUXWNNCY-STQMWFEESA-N 1 2 327.402 0.345 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](CN2C(=O)c3ccc(F)cc3C2=O)CC1 ZINC000491068268 439328186 /nfs/dbraw/zinc/32/81/86/439328186.db2.gz NKKKSNQMNJMGIM-UHFFFAOYSA-N 1 2 343.358 0.841 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)S(=O)(=O)[C@@H](CC)C2)CC1 ZINC000491096941 439329811 /nfs/dbraw/zinc/32/98/11/439329811.db2.gz YBGPRHZMSWGODW-HIFRSBDPSA-N 1 2 326.462 0.756 20 30 ECEDLO CCN1C(=O)[C@@H]2C[N@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])CCN2C1=O ZINC000593015300 439330304 /nfs/dbraw/zinc/33/03/04/439330304.db2.gz QRVWBPBJCKYVTG-AWEZNQCLSA-N 1 2 343.343 0.935 20 30 ECEDLO CCN1C(=O)[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])CCN2C1=O ZINC000593015300 439330309 /nfs/dbraw/zinc/33/03/09/439330309.db2.gz QRVWBPBJCKYVTG-AWEZNQCLSA-N 1 2 343.343 0.935 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](Cc2ccc(OC)c(C#N)c2)CC1 ZINC000491120768 439334812 /nfs/dbraw/zinc/33/48/12/439334812.db2.gz NSJFWGKWOJXDJB-UHFFFAOYSA-N 1 2 326.400 0.434 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2ccc(OC)c(C#N)c2)CC1 ZINC000491120768 439334818 /nfs/dbraw/zinc/33/48/18/439334818.db2.gz NSJFWGKWOJXDJB-UHFFFAOYSA-N 1 2 326.400 0.434 20 30 ECEDLO C#CCNS(=O)(=O)c1ccc(C(=O)OCCc2c[nH+]cn2C)cc1 ZINC000491122253 439334853 /nfs/dbraw/zinc/33/48/53/439334853.db2.gz UQPHQGYDLFYGPU-UHFFFAOYSA-N 1 2 347.396 0.731 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCCC[C@@H]2c2ccnn2C)CC1 ZINC000490842240 439303246 /nfs/dbraw/zinc/30/32/46/439303246.db2.gz ZZOPVLJZNRPZLQ-QGZVFWFLSA-N 1 2 329.448 0.725 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2c2ccnn2C)CC1 ZINC000490842240 439303249 /nfs/dbraw/zinc/30/32/49/439303249.db2.gz ZZOPVLJZNRPZLQ-QGZVFWFLSA-N 1 2 329.448 0.725 20 30 ECEDLO C#CC[N@@H+](C[C@@H](O)COc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000490865819 439305451 /nfs/dbraw/zinc/30/54/51/439305451.db2.gz IDDISBNOLADYPG-LSDHHAIUSA-N 1 2 341.404 0.688 20 30 ECEDLO C#CC[N@H+](C[C@@H](O)COc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000490865819 439305455 /nfs/dbraw/zinc/30/54/55/439305455.db2.gz IDDISBNOLADYPG-LSDHHAIUSA-N 1 2 341.404 0.688 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\c2cnn(C)c2C)CC1 ZINC000490893509 439306806 /nfs/dbraw/zinc/30/68/06/439306806.db2.gz VAROMISOGFUPJP-SREVYHEPSA-N 1 2 343.431 0.025 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\c2cnn(C)c2C)CC1 ZINC000490893509 439306811 /nfs/dbraw/zinc/30/68/11/439306811.db2.gz VAROMISOGFUPJP-SREVYHEPSA-N 1 2 343.431 0.025 20 30 ECEDLO C#CCNS(=O)(=O)c1ccc(C(=O)OCCn2cc[nH+]c2)cc1 ZINC000490891095 439306981 /nfs/dbraw/zinc/30/69/81/439306981.db2.gz AXYHIPPJEZOXLK-UHFFFAOYSA-N 1 2 333.369 0.652 20 30 ECEDLO C#CC[N@@H+](Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)C1CCCCC1 ZINC000490897850 439309204 /nfs/dbraw/zinc/30/92/04/439309204.db2.gz GCBFLOCOHBKYFX-UHFFFAOYSA-N 1 2 329.404 0.728 20 30 ECEDLO C#CC[N@H+](Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)C1CCCCC1 ZINC000490897850 439309208 /nfs/dbraw/zinc/30/92/08/439309208.db2.gz GCBFLOCOHBKYFX-UHFFFAOYSA-N 1 2 329.404 0.728 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2ccc(C)nc2)CC1 ZINC000490915760 439311981 /nfs/dbraw/zinc/31/19/81/439311981.db2.gz PBRCELNLXWXDQR-BQYQJAHWSA-N 1 2 340.427 0.687 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2ccc(C)nc2)CC1 ZINC000490915760 439311983 /nfs/dbraw/zinc/31/19/83/439311983.db2.gz PBRCELNLXWXDQR-BQYQJAHWSA-N 1 2 340.427 0.687 20 30 ECEDLO CC(=O)NCC(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000528733483 439365423 /nfs/dbraw/zinc/36/54/23/439365423.db2.gz AVDUHSLYQBTRBS-UHFFFAOYSA-N 1 2 332.379 0.868 20 30 ECEDLO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000528733483 439365428 /nfs/dbraw/zinc/36/54/28/439365428.db2.gz AVDUHSLYQBTRBS-UHFFFAOYSA-N 1 2 332.379 0.868 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@H](C)C(=O)N2CCCC[C@@H]2CC)CC1 ZINC000491167514 439342460 /nfs/dbraw/zinc/34/24/60/439342460.db2.gz YMBZAKODDMFKJY-SJORKVTESA-N 1 2 348.491 0.533 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)N[C@](C)(C3CCCC3)C2=O)CC1 ZINC000491191496 439346795 /nfs/dbraw/zinc/34/67/95/439346795.db2.gz DUPPDANJMYRQGD-GOSISDBHSA-N 1 2 346.431 0.265 20 30 ECEDLO CNC(=O)NC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CCO1 ZINC000528623655 439351478 /nfs/dbraw/zinc/35/14/78/439351478.db2.gz LDQBWDSGVSNQCD-CQSZACIVSA-N 1 2 345.403 0.517 20 30 ECEDLO CNC(=O)NC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)CCO1 ZINC000528623655 439351479 /nfs/dbraw/zinc/35/14/79/439351479.db2.gz LDQBWDSGVSNQCD-CQSZACIVSA-N 1 2 345.403 0.517 20 30 ECEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000582561497 439352085 /nfs/dbraw/zinc/35/20/85/439352085.db2.gz QAOXAANYGPHKFC-HUUCEWRRSA-N 1 2 334.420 0.877 20 30 ECEDLO C#CCN(C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C1CC1 ZINC000491349677 439370024 /nfs/dbraw/zinc/37/00/24/439370024.db2.gz JODOZENQXGBEGC-AWEZNQCLSA-N 1 2 329.404 0.718 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000582889813 439392050 /nfs/dbraw/zinc/39/20/50/439392050.db2.gz SDSWJWZPYJXISE-HOTGVXAUSA-N 1 2 333.436 0.794 20 30 ECEDLO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000593530816 439395129 /nfs/dbraw/zinc/39/51/29/439395129.db2.gz MPIWUWJBDQWAEK-NSHDSACASA-N 1 2 348.384 0.908 20 30 ECEDLO N#Cc1sccc1S(=O)(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000593572588 439410586 /nfs/dbraw/zinc/41/05/86/439410586.db2.gz PHKLYADHQLXRFI-RYUDHWBXSA-N 1 2 341.458 0.839 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCOc3ccc(F)cc3C2)CC1 ZINC000491633211 439414384 /nfs/dbraw/zinc/41/43/84/439414384.db2.gz RNZAGAKVFMKNGO-UHFFFAOYSA-N 1 2 331.391 0.798 20 30 ECEDLO C[N@@H+](Cc1nnc2n1CCC2)C[C@@H](O)COc1ccccc1C#N ZINC000599315161 439429135 /nfs/dbraw/zinc/42/91/35/439429135.db2.gz KBBOROGSFIHTSL-CQSZACIVSA-N 1 2 327.388 0.968 20 30 ECEDLO C[N@H+](Cc1nnc2n1CCC2)C[C@@H](O)COc1ccccc1C#N ZINC000599315161 439429139 /nfs/dbraw/zinc/42/91/39/439429139.db2.gz KBBOROGSFIHTSL-CQSZACIVSA-N 1 2 327.388 0.968 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3nnn(C)c3C)n2CC=C)CC1 ZINC000491705456 439429568 /nfs/dbraw/zinc/42/95/68/439429568.db2.gz IYRGKGHVPPSFHX-UHFFFAOYSA-N 1 2 326.408 0.323 20 30 ECEDLO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)cc1 ZINC000491704294 439429783 /nfs/dbraw/zinc/42/97/83/439429783.db2.gz KJCPFRQKRKYQOY-LLVKDONJSA-N 1 2 332.385 0.812 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(O[C@H]3CC(=O)N3)c2)CC1 ZINC000491745504 439438987 /nfs/dbraw/zinc/43/89/87/439438987.db2.gz XEDZGYLWWALXEI-KRWDZBQOSA-N 1 2 342.399 0.101 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000491744384 439440315 /nfs/dbraw/zinc/44/03/15/439440315.db2.gz NLSZHZQPDHTLRH-UHFFFAOYSA-N 1 2 334.351 0.995 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000491744384 439440320 /nfs/dbraw/zinc/44/03/20/439440320.db2.gz NLSZHZQPDHTLRH-UHFFFAOYSA-N 1 2 334.351 0.995 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](Cc2cc(C(=O)OC)oc2CC)CC1 ZINC000491769901 439445825 /nfs/dbraw/zinc/44/58/25/439445825.db2.gz ONVYTZSULOGDNR-UHFFFAOYSA-N 1 2 347.415 0.496 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000583600077 439483857 /nfs/dbraw/zinc/48/38/57/439483857.db2.gz HJTUJPYAXGAOFM-PBHICJAKSA-N 1 2 335.452 0.874 20 30 ECEDLO Cc1cc(NC(=O)C(=O)NCCNc2cccc[nH+]2)n(CCC#N)n1 ZINC000532621797 439518766 /nfs/dbraw/zinc/51/87/66/439518766.db2.gz XADGJVRMQREORB-UHFFFAOYSA-N 1 2 341.375 0.667 20 30 ECEDLO Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)ncc1C#N ZINC000594287505 439535601 /nfs/dbraw/zinc/53/56/01/439535601.db2.gz FJNXXEBJCNVCME-QWHCGFSZSA-N 1 2 345.403 0.426 20 30 ECEDLO N#CCC1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000543842962 439564334 /nfs/dbraw/zinc/56/43/34/439564334.db2.gz SUSPXCWKNLRMCK-INIZCTEOSA-N 1 2 348.447 0.319 20 30 ECEDLO N#Cc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000610462750 439618598 /nfs/dbraw/zinc/61/85/98/439618598.db2.gz WJOUYCDIUWXALR-INIZCTEOSA-N 1 2 342.399 0.820 20 30 ECEDLO N#CC1(CS(=O)(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000545205881 439567504 /nfs/dbraw/zinc/56/75/04/439567504.db2.gz NXAVPYDNPUZKJA-CQSZACIVSA-N 1 2 345.490 0.417 20 30 ECEDLO COCC(=O)NC1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000609671581 439582512 /nfs/dbraw/zinc/58/25/12/439582512.db2.gz INAAHOCSKJYUIK-INIZCTEOSA-N 1 2 330.388 0.312 20 30 ECEDLO COCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000610260268 439606667 /nfs/dbraw/zinc/60/66/67/439606667.db2.gz ICLVORILELIKMH-UHFFFAOYSA-N 1 2 327.381 0.650 20 30 ECEDLO CCN1C(=O)CO[C@H](C(=O)N2CC(CC#N)C2)[C@H]1c1[nH+]ccn1C ZINC000600099683 439614047 /nfs/dbraw/zinc/61/40/47/439614047.db2.gz OWUCEMOLHDPHTH-KBPBESRZSA-N 1 2 331.376 0.081 20 30 ECEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)Cn3cnc(C#N)n3)CC2)cs1 ZINC000610883878 439652948 /nfs/dbraw/zinc/65/29/48/439652948.db2.gz VNXKSCMWRNJWAO-UHFFFAOYSA-N 1 2 345.432 0.649 20 30 ECEDLO Cc1nc(C[N@H+]2CCCN(C(=O)Cn3cnc(C#N)n3)CC2)cs1 ZINC000610883878 439652950 /nfs/dbraw/zinc/65/29/50/439652950.db2.gz VNXKSCMWRNJWAO-UHFFFAOYSA-N 1 2 345.432 0.649 20 30 ECEDLO C[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cc2F)CCO1 ZINC000610916791 439658351 /nfs/dbraw/zinc/65/83/51/439658351.db2.gz AOVFEVYRDHGXNZ-NSHDSACASA-N 1 2 334.351 0.473 20 30 ECEDLO C[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cc2F)CCO1 ZINC000610916791 439658355 /nfs/dbraw/zinc/65/83/55/439658355.db2.gz AOVFEVYRDHGXNZ-NSHDSACASA-N 1 2 334.351 0.473 20 30 ECEDLO C[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2cccc(CC#N)c2)[C@@H](C)CO1 ZINC000595126837 439659272 /nfs/dbraw/zinc/65/92/72/439659272.db2.gz VZDLZAPYOKAXFY-KBPBESRZSA-N 1 2 344.415 0.917 20 30 ECEDLO C[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cccc(CC#N)c2)[C@@H](C)CO1 ZINC000595126837 439659275 /nfs/dbraw/zinc/65/92/75/439659275.db2.gz VZDLZAPYOKAXFY-KBPBESRZSA-N 1 2 344.415 0.917 20 30 ECEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCN(C3CC3)C(=O)C2)cc1 ZINC000610497431 439620759 /nfs/dbraw/zinc/62/07/59/439620759.db2.gz QECFKECKUJBAMK-MRXNPFEDSA-N 1 2 329.400 0.799 20 30 ECEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCN(C3CC3)C(=O)C2)cc1 ZINC000610497431 439620761 /nfs/dbraw/zinc/62/07/61/439620761.db2.gz QECFKECKUJBAMK-MRXNPFEDSA-N 1 2 329.400 0.799 20 30 ECEDLO C[C@@H]1CN(CC[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)C[C@@H](C)O1 ZINC000595338461 439707206 /nfs/dbraw/zinc/70/72/06/439707206.db2.gz ILPDXHJCGHBTEG-ARFHVFGLSA-N 1 2 344.463 0.968 20 30 ECEDLO C[C@@H]1CN(CC[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)C[C@@H](C)O1 ZINC000595338461 439707211 /nfs/dbraw/zinc/70/72/11/439707211.db2.gz ILPDXHJCGHBTEG-ARFHVFGLSA-N 1 2 344.463 0.968 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC[C@@H]1CCS(=O)(=O)C1 ZINC000611171424 439677572 /nfs/dbraw/zinc/67/75/72/439677572.db2.gz OWCPUFZOKNLHJT-ZIAGYGMSSA-N 1 2 349.460 0.684 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CC[C@@H]1CCS(=O)(=O)C1 ZINC000611171424 439677574 /nfs/dbraw/zinc/67/75/74/439677574.db2.gz OWCPUFZOKNLHJT-ZIAGYGMSSA-N 1 2 349.460 0.684 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)c[nH]1 ZINC000600679759 439688769 /nfs/dbraw/zinc/68/87/69/439688769.db2.gz AJEOYJMOCMHDEW-MRXNPFEDSA-N 1 2 325.372 0.912 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)c[nH]1 ZINC000600679759 439688773 /nfs/dbraw/zinc/68/87/73/439688773.db2.gz AJEOYJMOCMHDEW-MRXNPFEDSA-N 1 2 325.372 0.912 20 30 ECEDLO CC[N@H+](CCc1ccc(C#N)cc1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000595293024 439692669 /nfs/dbraw/zinc/69/26/69/439692669.db2.gz WHYPBEHEBLFCDU-MRXNPFEDSA-N 1 2 349.456 0.726 20 30 ECEDLO CC[N@@H+](CCc1ccc(C#N)cc1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000595293024 439692673 /nfs/dbraw/zinc/69/26/73/439692673.db2.gz WHYPBEHEBLFCDU-MRXNPFEDSA-N 1 2 349.456 0.726 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000614661837 439783912 /nfs/dbraw/zinc/78/39/12/439783912.db2.gz VCHWFYHYIYTQBM-ZBFHGGJFSA-N 1 2 348.447 0.628 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N2CC[C@@](F)(C#N)C2)C1=O ZINC000615548738 439802343 /nfs/dbraw/zinc/80/23/43/439802343.db2.gz GFLYHZWCEXZKLQ-BLLLJJGKSA-N 1 2 348.382 0.558 20 30 ECEDLO C=CCOCCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000637033438 440138482 /nfs/dbraw/zinc/13/84/82/440138482.db2.gz WREFLJHSIBGCNI-MRXNPFEDSA-N 1 2 327.425 0.104 20 30 ECEDLO C=CCOCCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000637033438 440138485 /nfs/dbraw/zinc/13/84/85/440138485.db2.gz WREFLJHSIBGCNI-MRXNPFEDSA-N 1 2 327.425 0.104 20 30 ECEDLO C=CC[C@H](CO)CNC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000637529749 440294554 /nfs/dbraw/zinc/29/45/54/440294554.db2.gz DUKDFUVYXAYFRQ-DLBZAZTESA-N 1 2 348.447 0.766 20 30 ECEDLO C=CC[C@H](CO)CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000637529749 440294562 /nfs/dbraw/zinc/29/45/62/440294562.db2.gz DUKDFUVYXAYFRQ-DLBZAZTESA-N 1 2 348.447 0.766 20 30 ECEDLO O=C(NCC#CCO)c1ccc(NCC[NH+]2CCOCC2)c(F)c1 ZINC000632908301 440390333 /nfs/dbraw/zinc/39/03/33/440390333.db2.gz WCGXRFFYEWWBHB-UHFFFAOYSA-N 1 2 335.379 0.295 20 30 ECEDLO C=CC[N@@H+](CCc1nnn(C(C)(C)C)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000660070863 440588312 /nfs/dbraw/zinc/58/83/12/440588312.db2.gz UBDQDFUALPELRA-GFCCVEGCSA-N 1 2 327.454 0.646 20 30 ECEDLO C=CC[N@H+](CCc1nnn(C(C)(C)C)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000660070863 440588323 /nfs/dbraw/zinc/58/83/23/440588323.db2.gz UBDQDFUALPELRA-GFCCVEGCSA-N 1 2 327.454 0.646 20 30 ECEDLO CC#CC[C@H](CO)NC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000645155996 440756236 /nfs/dbraw/zinc/75/62/36/440756236.db2.gz FWZBPHMCEAXHCM-GOEBONIOSA-N 1 2 346.431 0.880 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCCN(c3ccn(C)n3)C2=O)nn1 ZINC000641074937 441052871 /nfs/dbraw/zinc/05/28/71/441052871.db2.gz XTZOUPJPDWEIHY-CQSZACIVSA-N 1 2 327.392 0.493 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)c2cc(C#N)ccn2)C1=O ZINC000577766030 322845948 /nfs/dbraw/zinc/84/59/48/322845948.db2.gz PTHMYCFAEBMCOI-ZDUSSCGKSA-N 1 2 338.371 0.608 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2OCC(C)C)C1 ZINC001078023947 782161149 /nfs/dbraw/zinc/16/11/49/782161149.db2.gz TZRJSSZBPHSEHF-HZPDHXFCSA-N 1 2 331.416 0.915 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2OCC(C)C)C1 ZINC001078023947 782161156 /nfs/dbraw/zinc/16/11/56/782161156.db2.gz TZRJSSZBPHSEHF-HZPDHXFCSA-N 1 2 331.416 0.915 20 30 ECEDLO CC(C)(C)c1nc(=NC(=O)NC[C@H](O)C[NH+]2CCOCC2)s[nH]1 ZINC000329101173 546014631 /nfs/dbraw/zinc/01/46/31/546014631.db2.gz MVVCRLOJSGDWCU-JTQLQIEISA-N 1 2 343.453 0.277 20 30 ECEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@H](C)Cn3cncn3)C2)CC1 ZINC000329179669 546016755 /nfs/dbraw/zinc/01/67/55/546016755.db2.gz NWWODXDWEIDZCR-HUUCEWRRSA-N 1 2 335.456 0.292 20 30 ECEDLO Cc1noc([C@H]2C[C@@H](O)CN2C(=O)NC[C@H](C)[NH+]2CCOCC2)n1 ZINC000329921966 546036239 /nfs/dbraw/zinc/03/62/39/546036239.db2.gz GARFNHRDNLNMEZ-CYZMBNFOSA-N 1 2 339.396 0.120 20 30 ECEDLO CC(=O)N1CCC[C@H](CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000329944486 546036768 /nfs/dbraw/zinc/03/67/68/546036768.db2.gz FGGAMEZCVBGNKS-UKRRQHHQSA-N 1 2 326.441 0.469 20 30 ECEDLO N#C[C@@H]1CN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CCO1 ZINC000619677135 546357514 /nfs/dbraw/zinc/35/75/14/546357514.db2.gz PQPDDVKVKVOCAO-CQSZACIVSA-N 1 2 332.385 0.844 20 30 ECEDLO C=C[C@H]([NH2+]C[C@@H]1CCn2ncc(C(=O)NC(C)C)c2C1)C(=O)OC ZINC000619703680 546359081 /nfs/dbraw/zinc/35/90/81/546359081.db2.gz QQJRMHBNGXOPAM-OCCSQVGLSA-N 1 2 334.420 0.901 20 30 ECEDLO C=CC[C@H](CO)NC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000624928416 546993166 /nfs/dbraw/zinc/99/31/66/546993166.db2.gz BLFYUELKCHTXBT-HZPDHXFCSA-N 1 2 334.420 0.519 20 30 ECEDLO C=CC[C@H](CO)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000624928416 546993168 /nfs/dbraw/zinc/99/31/68/546993168.db2.gz BLFYUELKCHTXBT-HZPDHXFCSA-N 1 2 334.420 0.519 20 30 ECEDLO C=C[C@@](C)(O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000667671103 547542981 /nfs/dbraw/zinc/54/29/81/547542981.db2.gz HWUMBHKADGJONM-QGZVFWFLSA-N 1 2 332.404 0.174 20 30 ECEDLO C=CCn1c(-c2cc[nH]n2)nnc1N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000669030661 547816568 /nfs/dbraw/zinc/81/65/68/547816568.db2.gz QORWTPVLWJOJNF-UHFFFAOYSA-N 1 2 344.423 0.064 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3ncon3)cc2)C1 ZINC001078029091 782172503 /nfs/dbraw/zinc/17/25/03/782172503.db2.gz KCCQZZVHTWPQIC-HUUCEWRRSA-N 1 2 326.356 0.535 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3ncon3)cc2)C1 ZINC001078029091 782172506 /nfs/dbraw/zinc/17/25/06/782172506.db2.gz KCCQZZVHTWPQIC-HUUCEWRRSA-N 1 2 326.356 0.535 20 30 ECEDLO Cc1oc(NC(=O)C[NH+]2CCC(C(=O)NCCO)CC2)c(C#N)c1C ZINC000749675729 579340793 /nfs/dbraw/zinc/34/07/93/579340793.db2.gz XQQPFZUPNZGLJC-UHFFFAOYSA-N 1 2 348.403 0.527 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C ZINC000749914748 579344633 /nfs/dbraw/zinc/34/46/33/579344633.db2.gz OLVODWYRGQXOIR-AWEZNQCLSA-N 1 2 329.400 0.733 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C ZINC000749914748 579344634 /nfs/dbraw/zinc/34/46/34/579344634.db2.gz OLVODWYRGQXOIR-AWEZNQCLSA-N 1 2 329.400 0.733 20 30 ECEDLO CN1C(=O)N[C@]2(CCC[C@H]2C[NH+]=Cc2ccc(O)c(O)c2O)C1=O ZINC000751889888 579377032 /nfs/dbraw/zinc/37/70/32/579377032.db2.gz DAJGNGIPKWCKLD-NJUBZILOSA-N 1 2 333.344 0.943 20 30 ECEDLO COc1cc(C#N)cc(OS(=O)(=O)CCC[NH+]2CCOCC2)c1 ZINC000752834109 579391384 /nfs/dbraw/zinc/39/13/84/579391384.db2.gz KYQNHSVCIJTGCW-UHFFFAOYSA-N 1 2 340.401 0.998 20 30 ECEDLO Cc1cccc2ncc(C=NNC(=S)NCC[NH+]3CCOCC3)n21 ZINC000755499829 579434219 /nfs/dbraw/zinc/43/42/19/579434219.db2.gz TVUKSSSUQGSIMB-UHFFFAOYSA-N 1 2 346.460 0.773 20 30 ECEDLO C[N@H+](CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCNC1=O ZINC000758405745 579472636 /nfs/dbraw/zinc/47/26/36/579472636.db2.gz BVENCADIFCMQIP-CQSZACIVSA-N 1 2 341.371 0.100 20 30 ECEDLO C[N@@H+](CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCNC1=O ZINC000758405745 579472637 /nfs/dbraw/zinc/47/26/37/579472637.db2.gz BVENCADIFCMQIP-CQSZACIVSA-N 1 2 341.371 0.100 20 30 ECEDLO O=C(CCN=C1NS(=O)(=O)c2ccccc21)Nc1cc[nH+]cc1O ZINC000731857420 578315989 /nfs/dbraw/zinc/31/59/89/578315989.db2.gz ARABYXVMTRCNNI-UHFFFAOYSA-N 1 2 346.368 0.276 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732815010 578329982 /nfs/dbraw/zinc/32/99/82/578329982.db2.gz UUIQRDPJSCSRRA-VIFPVBQESA-N 1 2 336.314 0.093 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732815010 578329983 /nfs/dbraw/zinc/32/99/83/578329983.db2.gz UUIQRDPJSCSRRA-VIFPVBQESA-N 1 2 336.314 0.093 20 30 ECEDLO C[N@H+](CCN1CCCC1=O)Cc1nc2ccccc2c(=O)n1CC#N ZINC000733195376 578333777 /nfs/dbraw/zinc/33/37/77/578333777.db2.gz MAUGVNYKQPODKF-UHFFFAOYSA-N 1 2 339.399 0.974 20 30 ECEDLO C[N@@H+](CCN1CCCC1=O)Cc1nc2ccccc2c(=O)n1CC#N ZINC000733195376 578333778 /nfs/dbraw/zinc/33/37/78/578333778.db2.gz MAUGVNYKQPODKF-UHFFFAOYSA-N 1 2 339.399 0.974 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2c(O)cccc2Cl)CC1 ZINC000733364591 578336963 /nfs/dbraw/zinc/33/69/63/578336963.db2.gz MQMYSDCYGFWWKV-UHFFFAOYSA-N 1 2 349.818 0.943 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c(O)cccc2Cl)CC1 ZINC000733364591 578336964 /nfs/dbraw/zinc/33/69/64/578336964.db2.gz MQMYSDCYGFWWKV-UHFFFAOYSA-N 1 2 349.818 0.943 20 30 ECEDLO Cn1cc2c(n1)CCCC2=NNC(=S)NCC[NH+]1CCOCC1 ZINC000794469811 578589503 /nfs/dbraw/zinc/58/95/03/578589503.db2.gz RUCFTSIIZXRFAE-UHFFFAOYSA-N 1 2 336.465 0.257 20 30 ECEDLO Cn1c(CC#N)nn(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c1=S ZINC000794636862 578596593 /nfs/dbraw/zinc/59/65/93/578596593.db2.gz ONWBLFPQJSZOKT-LBPRGKRZSA-N 1 2 332.437 0.978 20 30 ECEDLO Cn1c(CC#N)nn(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c1=S ZINC000794636862 578596594 /nfs/dbraw/zinc/59/65/94/578596594.db2.gz ONWBLFPQJSZOKT-LBPRGKRZSA-N 1 2 332.437 0.978 20 30 ECEDLO C=CCOC[C@@H](NC(=O)c1ccnc(-n2cc[nH+]c2)c1)C(=O)OC ZINC000796458541 578625333 /nfs/dbraw/zinc/62/53/33/578625333.db2.gz KDRINKRFGBPOPU-CYBMUJFWSA-N 1 2 330.344 0.741 20 30 ECEDLO C#CCC[C@@H](O)CNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000798383801 578644895 /nfs/dbraw/zinc/64/48/95/578644895.db2.gz CWAOUUBSNRQQEI-ZBFHGGJFSA-N 1 2 341.477 0.268 20 30 ECEDLO CCCCCCCS(=O)(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000799785122 578670037 /nfs/dbraw/zinc/67/00/37/578670037.db2.gz GZQNAGZQIRXWKH-OAHLLOKOSA-N 1 2 336.498 0.912 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2CCC(OC)CC2)CC1 ZINC000780608945 578697270 /nfs/dbraw/zinc/69/72/70/578697270.db2.gz PPKCGOGYMCOVKL-UHFFFAOYSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2CCC(OC)CC2)CC1 ZINC000780608945 578697271 /nfs/dbraw/zinc/69/72/71/578697271.db2.gz PPKCGOGYMCOVKL-UHFFFAOYSA-N 1 2 335.448 0.475 20 30 ECEDLO Cn1cc(C[NH+]2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)cn1 ZINC000780933650 578702906 /nfs/dbraw/zinc/70/29/06/578702906.db2.gz QOXAZAOJKMHDHN-QGZVFWFLSA-N 1 2 339.399 0.670 20 30 ECEDLO CC[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1[nH]cc[nH+]1 ZINC000781985830 578718086 /nfs/dbraw/zinc/71/80/86/578718086.db2.gz TYWRAWZKAHTFTH-LLVKDONJSA-N 1 2 347.400 0.716 20 30 ECEDLO COc1cc(C(C)=NNC(=S)NCC[NH+]2CCOCC2)ccn1 ZINC000782127877 578720547 /nfs/dbraw/zinc/72/05/47/578720547.db2.gz KJOFAKIPTUQTQZ-UHFFFAOYSA-N 1 2 337.449 0.611 20 30 ECEDLO NC(=[NH+]OCc1nc(N)nc(N)n1)c1ccc(Br)cc1 ZINC000782948650 578736140 /nfs/dbraw/zinc/73/61/40/578736140.db2.gz NQAKIQBHHYKFCY-UHFFFAOYSA-N 1 2 338.169 0.636 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](CCCC(=O)OC(C)(C)C)CC1 ZINC000784223149 578749804 /nfs/dbraw/zinc/74/98/04/578749804.db2.gz NMGCGJURXZPLHF-UHFFFAOYSA-N 1 2 345.465 0.194 20 30 ECEDLO N#Cc1cc(C(=O)OCC(=O)N2CC[NH+](Cc3ccco3)CC2)c[nH]1 ZINC000786904571 578796958 /nfs/dbraw/zinc/79/69/58/578796958.db2.gz VIRJTMQLYVZRMT-UHFFFAOYSA-N 1 2 342.355 0.981 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2OC)CC1 ZINC000766479820 579088157 /nfs/dbraw/zinc/08/81/57/579088157.db2.gz XOXUSRSFQOKZMQ-UHFFFAOYSA-N 1 2 333.413 0.896 20 30 ECEDLO N#CCOc1ccc(CC(=O)NC[C@H]2CN3CC[N@@H+]2CCC3)cc1 ZINC000773530488 579228754 /nfs/dbraw/zinc/22/87/54/579228754.db2.gz MARCBSQVWQEJNJ-INIZCTEOSA-N 1 2 328.416 0.638 20 30 ECEDLO N#CCOc1ccc(CC(=O)NC[C@H]2CN3CC[N@H+]2CCC3)cc1 ZINC000773530488 579228756 /nfs/dbraw/zinc/22/87/56/579228756.db2.gz MARCBSQVWQEJNJ-INIZCTEOSA-N 1 2 328.416 0.638 20 30 ECEDLO C#C[C@H]([NH2+]Cc1nnc2n1c1ccsc1c(=O)n2C)[C@H]1CCCO1 ZINC000775791385 579271250 /nfs/dbraw/zinc/27/12/50/579271250.db2.gz UXHJFDWKFWNARO-CMPLNLGQSA-N 1 2 343.412 0.913 20 30 ECEDLO CC(Cn1ccccc1=O)=NNC(=S)NCC[NH+]1CCOCC1 ZINC000761749012 579531726 /nfs/dbraw/zinc/53/17/26/579531726.db2.gz PFIMBSXLVFMIJI-UHFFFAOYSA-N 1 2 337.449 0.021 20 30 ECEDLO O=c1ccc2c([nH]1)CCCC2=NNC(=S)NCC[NH+]1CCOCC1 ZINC000764659827 579579215 /nfs/dbraw/zinc/57/92/15/579579215.db2.gz QEOUIVJUPSNBEU-UHFFFAOYSA-N 1 2 349.460 0.624 20 30 ECEDLO CON=Cc1ccc(C(=O)N2CC[NH+](CC[S@](C)=O)CC2)cc1 ZINC000742183124 579781326 /nfs/dbraw/zinc/78/13/26/579781326.db2.gz PAQBUBDMEFIGJY-QHCPKHFHSA-N 1 2 337.445 0.803 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2nc(-c3ccccc3)oc2=O)CC1 ZINC000744425261 579809262 /nfs/dbraw/zinc/80/92/62/579809262.db2.gz AIYCDPHVLHNLBP-UHFFFAOYSA-N 1 2 326.356 0.281 20 30 ECEDLO COC(=O)CCn1nc(C)c(C[NH+]2CCN(C(=O)CC#N)CC2)c1C ZINC000895066925 586159863 /nfs/dbraw/zinc/15/98/63/586159863.db2.gz ZFPIFQALIQCIEB-UHFFFAOYSA-N 1 2 347.419 0.621 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](Nc2nc(Cl)ccc2S(N)(=O)=O)C1 ZINC000895202083 586169025 /nfs/dbraw/zinc/16/90/25/586169025.db2.gz PEVMKUFUFOZSLR-JTQLQIEISA-N 1 2 328.825 0.892 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](Nc2nc(Cl)ccc2S(N)(=O)=O)C1 ZINC000895202083 586169027 /nfs/dbraw/zinc/16/90/27/586169027.db2.gz PEVMKUFUFOZSLR-JTQLQIEISA-N 1 2 328.825 0.892 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC)cc2OC)C1 ZINC000891607182 586181556 /nfs/dbraw/zinc/18/15/56/586181556.db2.gz RXSXUHQIWSFWNX-CYBMUJFWSA-N 1 2 345.399 0.856 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC)cc2OC)C1 ZINC000891607182 586181557 /nfs/dbraw/zinc/18/15/57/586181557.db2.gz RXSXUHQIWSFWNX-CYBMUJFWSA-N 1 2 345.399 0.856 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)C1 ZINC000889352987 586254011 /nfs/dbraw/zinc/25/40/11/586254011.db2.gz PVTRUDXIVGAJEP-HZSPNIEDSA-N 1 2 327.450 0.349 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)C1 ZINC000889352987 586254013 /nfs/dbraw/zinc/25/40/13/586254013.db2.gz PVTRUDXIVGAJEP-HZSPNIEDSA-N 1 2 327.450 0.349 20 30 ECEDLO Cc1c(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cnn1CCC#N ZINC000896625210 586263616 /nfs/dbraw/zinc/26/36/16/586263616.db2.gz XOZSUGYUPAWBFB-UHFFFAOYSA-N 1 2 344.419 0.793 20 30 ECEDLO C#C[C@H]1CCCCN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000892929367 586301029 /nfs/dbraw/zinc/30/10/29/586301029.db2.gz IQHYESDCXVJCRX-HNNXBMFYSA-N 1 2 341.477 0.693 20 30 ECEDLO C#CC1(O)CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCN(C)CC2)CC1 ZINC000899116432 586471456 /nfs/dbraw/zinc/47/14/56/586471456.db2.gz MMFOBXRBDGOZLK-SFHVURJKSA-N 1 2 341.455 0.962 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ncccc2N(C)C)CC1 ZINC000900584839 586647493 /nfs/dbraw/zinc/64/74/93/586647493.db2.gz CCAKZKRGAFBDNO-UHFFFAOYSA-N 1 2 343.431 0.045 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ncccc2N(C)C)CC1 ZINC000900584839 586647495 /nfs/dbraw/zinc/64/74/95/586647495.db2.gz CCAKZKRGAFBDNO-UHFFFAOYSA-N 1 2 343.431 0.045 20 30 ECEDLO CCn1cc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)nn1 ZINC000901557856 586711266 /nfs/dbraw/zinc/71/12/66/586711266.db2.gz QMBIHSVMHKDAFH-UHFFFAOYSA-N 1 2 328.376 0.212 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000907580106 586739686 /nfs/dbraw/zinc/73/96/86/586739686.db2.gz BTQZPHPDUIQQLG-WMZOPIPTSA-N 1 2 342.399 0.969 20 30 ECEDLO C=CCN1CCN(C[NH+]2CCC(N(C)S(=O)(=O)CC)CC2)C1=O ZINC000839992466 587053974 /nfs/dbraw/zinc/05/39/74/587053974.db2.gz JQBPMJRAEKINAL-UHFFFAOYSA-N 1 2 344.481 0.613 20 30 ECEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000804436365 587085287 /nfs/dbraw/zinc/08/52/87/587085287.db2.gz PCRISWZGBAUCEO-COXVUDFISA-N 1 2 329.400 0.913 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)CN2C(=O)[C@@]3(CCCO3)[C@@H]2C2CC2)C1=O ZINC000840065261 587101587 /nfs/dbraw/zinc/10/15/87/587101587.db2.gz QVSADCQZLPLLEG-RLFYNMQTSA-N 1 2 333.432 0.833 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)CN2C(=O)[C@@]3(CCCO3)[C@@H]2C2CC2)C1=O ZINC000840065261 587101588 /nfs/dbraw/zinc/10/15/88/587101588.db2.gz QVSADCQZLPLLEG-RLFYNMQTSA-N 1 2 333.432 0.833 20 30 ECEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(C#N)cn1 ZINC000807155314 587120348 /nfs/dbraw/zinc/12/03/48/587120348.db2.gz GBCFVJILAKKBCX-CZUORRHYSA-N 1 2 329.404 0.958 20 30 ECEDLO Nc1ccc(CN=Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])c[nH+]1 ZINC000807944087 587140489 /nfs/dbraw/zinc/14/04/89/587140489.db2.gz WRDQQEIFIXDVTP-UHFFFAOYSA-N 1 2 336.333 0.665 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)[C@H]1CCCO1 ZINC000809310811 587174712 /nfs/dbraw/zinc/17/47/12/587174712.db2.gz SCVSUSVJPQZELV-BZUAXINKSA-N 1 2 343.383 0.358 20 30 ECEDLO CN(C)C(=O)[C@@H]1CC[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000840174279 587176939 /nfs/dbraw/zinc/17/69/39/587176939.db2.gz KJHZMWZLAVLSND-CQSZACIVSA-N 1 2 328.416 0.966 20 30 ECEDLO CN(C)C(=O)[C@@H]1CC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000840174279 587176941 /nfs/dbraw/zinc/17/69/41/587176941.db2.gz KJHZMWZLAVLSND-CQSZACIVSA-N 1 2 328.416 0.966 20 30 ECEDLO COC(=O)CC[C@@]1(C)NC(=O)N(C[NH+]2CCC(C)(C#N)CC2)C1=O ZINC000811761686 587225831 /nfs/dbraw/zinc/22/58/31/587225831.db2.gz NGDZFADVIJJDQJ-MRXNPFEDSA-N 1 2 336.392 0.833 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000813376667 587251992 /nfs/dbraw/zinc/25/19/92/587251992.db2.gz STUUKPIDIUQQGD-PBHICJAKSA-N 1 2 342.403 0.067 20 30 ECEDLO CN(C)S(=O)(=O)n1ccnc1C=NNc1cc[nH+]c2ccccc12 ZINC000814841847 587279184 /nfs/dbraw/zinc/27/91/84/587279184.db2.gz XPPKVOBGJGYPED-UHFFFAOYSA-N 1 2 344.400 0.954 20 30 ECEDLO Cn1ncc(C=[NH+]Nc2ccc(S(=O)(=O)NC3CC3)cn2)c1N ZINC000814799336 587279222 /nfs/dbraw/zinc/27/92/22/587279222.db2.gz BSNWLZOPCRNTQM-UHFFFAOYSA-N 1 2 335.393 0.284 20 30 ECEDLO CCC(CC)[C@@H](C(=O)N[C@@H]1CCCN(O)C1=O)[NH+]1CCOCC1 ZINC000816757564 587324364 /nfs/dbraw/zinc/32/43/64/587324364.db2.gz VPYQDBUPKJUXQN-KGLIPLIRSA-N 1 2 327.425 0.620 20 30 ECEDLO C=CCC1(C(=O)N2CC[NH+](CC[S@](C)=O)CC2)CCOCC1 ZINC000819310655 587476390 /nfs/dbraw/zinc/47/63/90/587476390.db2.gz YHQGQVJPNMWAQA-QFIPXVFZSA-N 1 2 328.478 0.882 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000819701614 587486272 /nfs/dbraw/zinc/48/62/72/587486272.db2.gz KCQCMLUMDUDUBY-AWEZNQCLSA-N 1 2 328.351 0.720 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000819701614 587486273 /nfs/dbraw/zinc/48/62/73/587486273.db2.gz KCQCMLUMDUDUBY-AWEZNQCLSA-N 1 2 328.351 0.720 20 30 ECEDLO COC(=O)C1(C#N)CC[NH+]([C@H]2CC(=O)N(CCC(C)C)C2=O)CC1 ZINC000821780508 587630316 /nfs/dbraw/zinc/63/03/16/587630316.db2.gz AJWSGLFFZHILNW-ZDUSSCGKSA-N 1 2 335.404 0.939 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000822533559 587664808 /nfs/dbraw/zinc/66/48/08/587664808.db2.gz KFQAHBDVNCULIH-AWEZNQCLSA-N 1 2 329.400 0.468 20 30 ECEDLO COCC#CC[NH+]1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826146825 587998496 /nfs/dbraw/zinc/99/84/96/587998496.db2.gz FDXXJOFPTHPFIT-UHFFFAOYSA-N 1 2 343.391 0.504 20 30 ECEDLO Cc1cc[nH+]c(NCCNC(=O)C2N=CC=CC2=O)c1-c1nn[nH]n1 ZINC000826313542 588023256 /nfs/dbraw/zinc/02/32/56/588023256.db2.gz KUQQCIBRHLFNJP-NTCAYCPXSA-N 1 2 340.347 0.508 20 30 ECEDLO N#Cc1c(-c2nn[nH]n2)nc(N)n1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000826383411 588036866 /nfs/dbraw/zinc/03/68/66/588036866.db2.gz ZJWOILDRXXPFDR-UHFFFAOYSA-N 1 2 333.319 0.146 20 30 ECEDLO N#Cc1nc(N)n(Cc2ccc(-n3cc[nH+]c3)nc2)c1-c1nn[nH]n1 ZINC000826387900 588037834 /nfs/dbraw/zinc/03/78/34/588037834.db2.gz XVUWYUYOYVOXFZ-UHFFFAOYSA-N 1 2 333.319 0.146 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2nc(C)c([C@H]3CCC(=O)N3)c2C)CC1 ZINC000844239478 589104263 /nfs/dbraw/zinc/10/42/63/589104263.db2.gz ZLAFOSSHUPRZCZ-OAHLLOKOSA-N 1 2 343.431 0.228 20 30 ECEDLO C#C[C@H](NC(=O)N1CC[NH+](CCOCCOC)CC1)[C@H]1CCCO1 ZINC000845124249 589133197 /nfs/dbraw/zinc/13/31/97/589133197.db2.gz PGNRFEQQEVJJKK-JKSUJKDBSA-N 1 2 339.436 0.157 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC000845442829 589150342 /nfs/dbraw/zinc/15/03/42/589150342.db2.gz QQDBIFKPHAHGJE-IXDOHACOSA-N 1 2 329.444 0.872 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC000845442829 589150344 /nfs/dbraw/zinc/15/03/44/589150344.db2.gz QQDBIFKPHAHGJE-IXDOHACOSA-N 1 2 329.444 0.872 20 30 ECEDLO COC(=O)c1ccc(N2CC[NH+](CC[S@@](C)=O)CC2)c(C#N)n1 ZINC000848668470 589305736 /nfs/dbraw/zinc/30/57/36/589305736.db2.gz QTTIDQHLYRBRQP-HSZRJFAPSA-N 1 2 336.417 0.240 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc3c(c2)CCNC3=O)CC1 ZINC000849317715 589325674 /nfs/dbraw/zinc/32/56/74/589325674.db2.gz VSNUNDXAUMBSSB-UHFFFAOYSA-N 1 2 326.400 0.162 20 30 ECEDLO COC(=O)CNC(=O)CC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328855 589491294 /nfs/dbraw/zinc/49/12/94/589491294.db2.gz OJIAUMNEOSUQNN-KRWDZBQOSA-N 1 2 330.388 0.618 20 30 ECEDLO COC(=O)CNC(=O)CC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328855 589491296 /nfs/dbraw/zinc/49/12/96/589491296.db2.gz OJIAUMNEOSUQNN-KRWDZBQOSA-N 1 2 330.388 0.618 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCO[C@@H](C(F)(F)F)[C@H]2C)CC1 ZINC000852603131 589502932 /nfs/dbraw/zinc/50/29/32/589502932.db2.gz RRSOWGXGINTZHJ-TZMCWYRMSA-N 1 2 333.354 0.415 20 30 ECEDLO C[C@H](NC(=O)CO[NH+]=C(N)CN1CCOCC1)c1ccc(F)cc1 ZINC000111182235 589538369 /nfs/dbraw/zinc/53/83/69/589538369.db2.gz RFCFQYDPNUMAMX-LBPRGKRZSA-N 1 2 338.383 0.624 20 30 ECEDLO C=C[C@H](O)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000854484891 589589146 /nfs/dbraw/zinc/58/91/46/589589146.db2.gz QTBPFJXAQPRUGI-KBPBESRZSA-N 1 2 339.436 0.687 20 30 ECEDLO CCN1C(=O)CO[C@H](C(=O)OCCCCC#N)[C@H]1c1[nH+]ccn1C ZINC000860421672 589770708 /nfs/dbraw/zinc/77/07/08/589770708.db2.gz CBJJNPZTTKKZGS-KBPBESRZSA-N 1 2 334.376 0.946 20 30 ECEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000858841222 589778423 /nfs/dbraw/zinc/77/84/23/589778423.db2.gz PLNUNHCCMIHINT-SJORKVTESA-N 1 2 344.415 0.972 20 30 ECEDLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000858841222 589778427 /nfs/dbraw/zinc/77/84/27/589778427.db2.gz PLNUNHCCMIHINT-SJORKVTESA-N 1 2 344.415 0.972 20 30 ECEDLO CCS(=O)(=O)N1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000859106911 589800114 /nfs/dbraw/zinc/80/01/14/589800114.db2.gz SBJMQDQOLBSXKI-AWEZNQCLSA-N 1 2 345.465 0.025 20 30 ECEDLO CCOC(=O)[C@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)CCO1 ZINC000859148457 589803179 /nfs/dbraw/zinc/80/31/79/589803179.db2.gz RCMHYBABCXFNBF-UONOGXRCSA-N 1 2 326.393 0.322 20 30 ECEDLO CCOC(=O)[C@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)CCO1 ZINC000859148457 589803180 /nfs/dbraw/zinc/80/31/80/589803180.db2.gz RCMHYBABCXFNBF-UONOGXRCSA-N 1 2 326.393 0.322 20 30 ECEDLO C#CC[N@@H+](C[C@@H](O)COc1ccccc1C#N)[C@H]1CCS(=O)(=O)C1 ZINC000859188201 589805980 /nfs/dbraw/zinc/80/59/80/589805980.db2.gz GKWAZRYELBOXAJ-JKSUJKDBSA-N 1 2 348.424 0.420 20 30 ECEDLO C#CC[N@H+](C[C@@H](O)COc1ccccc1C#N)[C@H]1CCS(=O)(=O)C1 ZINC000859188201 589805983 /nfs/dbraw/zinc/80/59/83/589805983.db2.gz GKWAZRYELBOXAJ-JKSUJKDBSA-N 1 2 348.424 0.420 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2c(C)cccc2O)CC1 ZINC000859224906 589809119 /nfs/dbraw/zinc/80/91/19/589809119.db2.gz IJXORZCLBZZCGE-UHFFFAOYSA-N 1 2 329.400 0.598 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c(C)cccc2O)CC1 ZINC000859224906 589809121 /nfs/dbraw/zinc/80/91/21/589809121.db2.gz IJXORZCLBZZCGE-UHFFFAOYSA-N 1 2 329.400 0.598 20 30 ECEDLO C[N@@H+]1Cc2ccccc2[C@H]1CNS(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000867796427 589843989 /nfs/dbraw/zinc/84/39/89/589843989.db2.gz YWTXNKGFAZMPGM-UKRRQHHQSA-N 1 2 336.417 0.232 20 30 ECEDLO C[N@H+]1Cc2ccccc2[C@H]1CNS(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000867796427 589843991 /nfs/dbraw/zinc/84/39/91/589843991.db2.gz YWTXNKGFAZMPGM-UKRRQHHQSA-N 1 2 336.417 0.232 20 30 ECEDLO CC(C)(C(=O)N[C@@H](CO)C[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000861517069 589858642 /nfs/dbraw/zinc/85/86/42/589858642.db2.gz DANMMSDNOWXZGV-MRXNPFEDSA-N 1 2 331.416 0.645 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000868940556 589936603 /nfs/dbraw/zinc/93/66/03/589936603.db2.gz SCRWITBRUBPTMU-HNNXBMFYSA-N 1 2 348.468 0.905 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@]1(C#N)CCCOC1 ZINC000869400165 589963654 /nfs/dbraw/zinc/96/36/54/589963654.db2.gz AKBYDPLYXBQHKD-NVXWUHKLSA-N 1 2 337.420 0.039 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@]1(C#N)CCCOC1 ZINC000869400165 589963655 /nfs/dbraw/zinc/96/36/55/589963655.db2.gz AKBYDPLYXBQHKD-NVXWUHKLSA-N 1 2 337.420 0.039 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(Cc3cc(C)[nH]n3)n2CCOC)CC1 ZINC000871087059 590048505 /nfs/dbraw/zinc/04/85/05/590048505.db2.gz RZIQDDWRQHHSAD-UHFFFAOYSA-N 1 2 343.435 0.302 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(Cc3cc(C)n[nH]3)n2CCOC)CC1 ZINC000871087059 590048507 /nfs/dbraw/zinc/04/85/07/590048507.db2.gz RZIQDDWRQHHSAD-UHFFFAOYSA-N 1 2 343.435 0.302 20 30 ECEDLO COC(=O)CCN(CC#N)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000871340605 590060770 /nfs/dbraw/zinc/06/07/70/590060770.db2.gz HOBLNOOWEAFESF-UHFFFAOYSA-N 1 2 345.403 0.119 20 30 ECEDLO C#CCN1C(=O)C[C@@H]([N@H+]2Cc3ccccc3[C@H](C(=O)OC)C2)C1=O ZINC000864351404 590076518 /nfs/dbraw/zinc/07/65/18/590076518.db2.gz RRDIEWBDAFOIFS-HUUCEWRRSA-N 1 2 326.352 0.520 20 30 ECEDLO C#CCN1C(=O)C[C@@H]([N@@H+]2Cc3ccccc3[C@H](C(=O)OC)C2)C1=O ZINC000864351404 590076520 /nfs/dbraw/zinc/07/65/20/590076520.db2.gz RRDIEWBDAFOIFS-HUUCEWRRSA-N 1 2 326.352 0.520 20 30 ECEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCNC(=O)CC12CCOCC2)C1CC1 ZINC000872290638 590111383 /nfs/dbraw/zinc/11/13/83/590111383.db2.gz WEQCHKPEWVSWEB-MRXNPFEDSA-N 1 2 334.420 0.166 20 30 ECEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCNC(=O)CC12CCOCC2)C1CC1 ZINC000872290638 590111386 /nfs/dbraw/zinc/11/13/86/590111386.db2.gz WEQCHKPEWVSWEB-MRXNPFEDSA-N 1 2 334.420 0.166 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCN(C)c3ncccc3C2)CC1 ZINC000872319097 590114524 /nfs/dbraw/zinc/11/45/24/590114524.db2.gz XOBZORFLNBEWIK-UHFFFAOYSA-N 1 2 327.432 0.111 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCN(C)c3ncccc3C2)CC1 ZINC000872319097 590114527 /nfs/dbraw/zinc/11/45/27/590114527.db2.gz XOBZORFLNBEWIK-UHFFFAOYSA-N 1 2 327.432 0.111 20 30 ECEDLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2c(C)cccc2C#N)CC1 ZINC000872457043 590118242 /nfs/dbraw/zinc/11/82/42/590118242.db2.gz XQKVTGGKDHRALS-OAHLLOKOSA-N 1 2 337.445 0.944 20 30 ECEDLO N#C[C@@]1(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCCOC1 ZINC000864981123 590119289 /nfs/dbraw/zinc/11/92/89/590119289.db2.gz DLDWILVRYJLFTP-JKSUJKDBSA-N 1 2 339.461 0.631 20 30 ECEDLO C=CCN1CCN(CN2CC[NH+](CCc3cnccn3)CC2)C1=O ZINC000872700763 590142289 /nfs/dbraw/zinc/14/22/89/590142289.db2.gz QVWMUNSWJZJRDA-UHFFFAOYSA-N 1 2 330.436 0.518 20 30 ECEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)Nc2cc3n(n2)CC[N@@H+](C)C3)C1 ZINC000873928215 590211845 /nfs/dbraw/zinc/21/18/45/590211845.db2.gz QEKZYKGEXAJAMQ-CYBMUJFWSA-N 1 2 329.404 0.529 20 30 ECEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)Nc2cc3n(n2)CC[N@H+](C)C3)C1 ZINC000873928215 590211846 /nfs/dbraw/zinc/21/18/46/590211846.db2.gz QEKZYKGEXAJAMQ-CYBMUJFWSA-N 1 2 329.404 0.529 20 30 ECEDLO CNC(=O)NC[C@@H]1COCC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC000879421861 590310616 /nfs/dbraw/zinc/31/06/16/590310616.db2.gz BSUSOQSTZQSYHD-OAHLLOKOSA-N 1 2 332.404 0.957 20 30 ECEDLO CNC(=O)NC[C@@H]1COCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000879421861 590310618 /nfs/dbraw/zinc/31/06/18/590310618.db2.gz BSUSOQSTZQSYHD-OAHLLOKOSA-N 1 2 332.404 0.957 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCO[C@@](C)(C(F)(F)F)C2)CC1 ZINC000879505060 590316024 /nfs/dbraw/zinc/31/60/24/590316024.db2.gz VAVWUVZHXJARBO-CQSZACIVSA-N 1 2 333.354 0.417 20 30 ECEDLO CCCNC(=O)NC(=O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879584641 590326052 /nfs/dbraw/zinc/32/60/52/590326052.db2.gz FFTRENFOAGDERH-UHFFFAOYSA-N 1 2 329.404 0.916 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CC1 ZINC000128212276 590369934 /nfs/dbraw/zinc/36/99/34/590369934.db2.gz IRUSRQNHDIRXKT-OAHLLOKOSA-N 1 2 326.400 0.208 20 30 ECEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]3CCNC(=O)[C@@H]32)c1 ZINC000880531935 590400830 /nfs/dbraw/zinc/40/08/30/590400830.db2.gz YLBKHSCYOZHORQ-NVXWUHKLSA-N 1 2 326.400 0.775 20 30 ECEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]3CCNC(=O)[C@@H]32)c1 ZINC000880531935 590400833 /nfs/dbraw/zinc/40/08/33/590400833.db2.gz YLBKHSCYOZHORQ-NVXWUHKLSA-N 1 2 326.400 0.775 20 30 ECEDLO C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)CCn2cc[nH+]c2)c1 ZINC000881798763 590474527 /nfs/dbraw/zinc/47/45/27/590474527.db2.gz KTDQPNXFQSNNFP-UHFFFAOYSA-N 1 2 346.412 0.765 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@H](O)CC1(O)CCCCC1 ZINC000878159355 590502467 /nfs/dbraw/zinc/50/24/67/590502467.db2.gz JJGBBLIEOZGDDS-QGZVFWFLSA-N 1 2 339.480 0.980 20 30 ECEDLO N#CCC[N@H+](CCN1CCOCC1)C[C@H](O)CC1(O)CCCCC1 ZINC000878159355 590502469 /nfs/dbraw/zinc/50/24/69/590502469.db2.gz JJGBBLIEOZGDDS-QGZVFWFLSA-N 1 2 339.480 0.980 20 30 ECEDLO N#CCC[N@@H+](CCN1CCOCC1)C[C@H](O)CC1(O)CCCCC1 ZINC000878159355 590502470 /nfs/dbraw/zinc/50/24/70/590502470.db2.gz JJGBBLIEOZGDDS-QGZVFWFLSA-N 1 2 339.480 0.980 20 30 ECEDLO C=CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000878209456 590506232 /nfs/dbraw/zinc/50/62/32/590506232.db2.gz GFPPGIUGFQYNBQ-NSHDSACASA-N 1 2 327.406 0.649 20 30 ECEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000878505893 590525581 /nfs/dbraw/zinc/52/55/81/590525581.db2.gz VSOJFXJADHFUJW-ZIAGYGMSSA-N 1 2 348.465 0.477 20 30 ECEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000878505893 590525583 /nfs/dbraw/zinc/52/55/83/590525583.db2.gz VSOJFXJADHFUJW-ZIAGYGMSSA-N 1 2 348.465 0.477 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@](C)(CO)Oc3ccccc32)CC1 ZINC000879339227 590580255 /nfs/dbraw/zinc/58/02/55/590580255.db2.gz FGMHPWLKSLRXNJ-LJQANCHMSA-N 1 2 343.427 0.414 20 30 ECEDLO C#CC1(F)CN(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)C1 ZINC000883797780 590668165 /nfs/dbraw/zinc/66/81/65/590668165.db2.gz KWKDYXDBHKQLNC-OAHLLOKOSA-N 1 2 332.379 0.649 20 30 ECEDLO C#CC1(F)CN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)C1 ZINC000883797780 590668169 /nfs/dbraw/zinc/66/81/69/590668169.db2.gz KWKDYXDBHKQLNC-OAHLLOKOSA-N 1 2 332.379 0.649 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cncc(C(=O)OC)c2)C1 ZINC000885512854 590729566 /nfs/dbraw/zinc/72/95/66/590729566.db2.gz ZDWQPJIRPFQUHP-CYBMUJFWSA-N 1 2 337.401 0.244 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cncc(C(=O)OC)c2)C1 ZINC000885512854 590729569 /nfs/dbraw/zinc/72/95/69/590729569.db2.gz ZDWQPJIRPFQUHP-CYBMUJFWSA-N 1 2 337.401 0.244 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000884136942 590751943 /nfs/dbraw/zinc/75/19/43/590751943.db2.gz ZLUHMTQLNVBUFX-KGLIPLIRSA-N 1 2 337.420 0.294 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(c2ncc(C)s2)CC1 ZINC000884224179 590781327 /nfs/dbraw/zinc/78/13/27/590781327.db2.gz JIEQJYKXLZEUKD-LBPRGKRZSA-N 1 2 338.433 0.547 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)C2(S(C)(=O)=O)CC2)C1 ZINC000884342091 590810559 /nfs/dbraw/zinc/81/05/59/590810559.db2.gz PRSVQTQVVQGTPR-STQMWFEESA-N 1 2 327.450 0.349 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)C2(S(C)(=O)=O)CC2)C1 ZINC000884342091 590810564 /nfs/dbraw/zinc/81/05/64/590810564.db2.gz PRSVQTQVVQGTPR-STQMWFEESA-N 1 2 327.450 0.349 20 30 ECEDLO COC(=O)CCNC(=O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000137867927 590838996 /nfs/dbraw/zinc/83/89/96/590838996.db2.gz HETWGTUIIDSXCR-UHFFFAOYSA-N 1 2 330.388 0.360 20 30 ECEDLO C=C[C@H](O)C(=O)N[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2cc[nH+]c21 ZINC000887299766 590958023 /nfs/dbraw/zinc/95/80/23/590958023.db2.gz HJHBPFZIZFJIOV-NEPJUHHUSA-N 1 2 348.403 0.937 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000890366528 591152147 /nfs/dbraw/zinc/15/21/47/591152147.db2.gz AIWLUIUIGCEVPX-DZGCQCFKSA-N 1 2 347.440 0.912 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000890366528 591152149 /nfs/dbraw/zinc/15/21/49/591152149.db2.gz AIWLUIUIGCEVPX-DZGCQCFKSA-N 1 2 347.440 0.912 20 30 ECEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H](O)C[C@]3(O)CCOC3)CCO2)c1 ZINC000930135861 611393528 /nfs/dbraw/zinc/39/35/28/611393528.db2.gz PUNXDUXCSZOOHG-OKZBNKHCSA-N 1 2 332.400 0.834 20 30 ECEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H](O)C[C@]3(O)CCOC3)CCO2)c1 ZINC000930135861 611393531 /nfs/dbraw/zinc/39/35/31/611393531.db2.gz PUNXDUXCSZOOHG-OKZBNKHCSA-N 1 2 332.400 0.834 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCOC2(CC[NH+](Cc3cn(C)nn3)CC2)C1 ZINC000949053727 611414412 /nfs/dbraw/zinc/41/44/12/611414412.db2.gz HHZPDJFNMDAMHY-ZDUSSCGKSA-N 1 2 332.408 0.168 20 30 ECEDLO O=C(C#CC1CC1)N1CCC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000946696410 611418268 /nfs/dbraw/zinc/41/82/68/611418268.db2.gz NYESBGDMRGMJPX-HNNXBMFYSA-N 1 2 340.427 0.966 20 30 ECEDLO CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000937351837 608613082 /nfs/dbraw/zinc/61/30/82/608613082.db2.gz HBTOAGXLTWCVLO-NVXWUHKLSA-N 1 2 340.427 0.918 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)CCc3ccn(C)n3)CC2)C1 ZINC000949379254 608659851 /nfs/dbraw/zinc/65/98/51/608659851.db2.gz UXLYSXRCIKJACT-UHFFFAOYSA-N 1 2 330.432 0.679 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)CCc3ccn(C)n3)CC2)C1 ZINC000949379254 608659854 /nfs/dbraw/zinc/65/98/54/608659854.db2.gz UXLYSXRCIKJACT-UHFFFAOYSA-N 1 2 330.432 0.679 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C[C@@H]1C ZINC000947308931 608944734 /nfs/dbraw/zinc/94/47/34/608944734.db2.gz BCFXDZHRRKTEIT-WDEREUQCSA-N 1 2 343.229 0.551 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C[C@@H]1C ZINC000947308931 608944737 /nfs/dbraw/zinc/94/47/37/608944737.db2.gz BCFXDZHRRKTEIT-WDEREUQCSA-N 1 2 343.229 0.551 20 30 ECEDLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000937197311 609034113 /nfs/dbraw/zinc/03/41/13/609034113.db2.gz DGEADOCZFKMYDZ-CQSZACIVSA-N 1 2 326.360 0.525 20 30 ECEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)C2CCS(=O)(=O)CC2)C[C@H]1C ZINC000947761908 611680272 /nfs/dbraw/zinc/68/02/72/611680272.db2.gz SALMAFDILQXXBM-HIFRSBDPSA-N 1 2 326.462 0.804 20 30 ECEDLO CC#CC[N@H+]1CC[C@H](NC(=O)C2CCS(=O)(=O)CC2)C[C@H]1C ZINC000947761908 611680273 /nfs/dbraw/zinc/68/02/73/611680273.db2.gz SALMAFDILQXXBM-HIFRSBDPSA-N 1 2 326.462 0.804 20 30 ECEDLO CN1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC[N@H+](C)CC1 ZINC000907789434 609622355 /nfs/dbraw/zinc/62/23/55/609622355.db2.gz PKPIUFUJTHBCKG-UHFFFAOYSA-N 1 2 340.424 0.565 20 30 ECEDLO CN1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC[N@@H+](C)CC1 ZINC000907789434 609622357 /nfs/dbraw/zinc/62/23/57/609622357.db2.gz PKPIUFUJTHBCKG-UHFFFAOYSA-N 1 2 340.424 0.565 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)s1 ZINC000908015003 609637277 /nfs/dbraw/zinc/63/72/77/609637277.db2.gz MKJVPQJERWFLAH-QWHCGFSZSA-N 1 2 341.458 0.839 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)s1 ZINC000908015003 609637279 /nfs/dbraw/zinc/63/72/79/609637279.db2.gz MKJVPQJERWFLAH-QWHCGFSZSA-N 1 2 341.458 0.839 20 30 ECEDLO N#CCCNC(=O)C[NH+]1CCC(S(=O)(=O)N2CCCCC2)CC1 ZINC000933093269 611707670 /nfs/dbraw/zinc/70/76/70/611707670.db2.gz HAVQZUCOZUJSQL-UHFFFAOYSA-N 1 2 342.465 0.296 20 30 ECEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cccnc2C(=O)OC)CC1 ZINC000921436862 609716621 /nfs/dbraw/zinc/71/66/21/609716621.db2.gz FQAGNRXWXDUQPF-UHFFFAOYSA-N 1 2 337.401 0.244 20 30 ECEDLO COc1ccc(CC(N)=[NH+]OCc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000060454981 609742351 /nfs/dbraw/zinc/74/23/51/609742351.db2.gz RPQSPXSHKOQJSI-UHFFFAOYSA-N 1 2 332.360 0.124 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)cn1 ZINC000938374024 609760093 /nfs/dbraw/zinc/76/00/93/609760093.db2.gz UYVUBWSCMLJEGT-INIZCTEOSA-N 1 2 337.383 0.680 20 30 ECEDLO C#CC[C@H](CO)NC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000918009256 609992163 /nfs/dbraw/zinc/99/21/63/609992163.db2.gz BQYDRDSEOHEAQP-QZTJIDSGSA-N 1 2 345.443 0.613 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000938904978 610026576 /nfs/dbraw/zinc/02/65/76/610026576.db2.gz AHXJXXUJDKVZNC-ZDUSSCGKSA-N 1 2 340.387 0.535 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000939756669 610122612 /nfs/dbraw/zinc/12/26/12/610122612.db2.gz HTGLSJTVIBCTEO-BMFZPTHFSA-N 1 2 346.431 0.613 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c(Cl)n[nH]c3CC)CC2)C1 ZINC000941433199 610313125 /nfs/dbraw/zinc/31/31/25/610313125.db2.gz QTEMSNFLADNSGI-UHFFFAOYSA-N 1 2 335.839 0.701 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3nccc4cccnc43)CC2)C1 ZINC000941440473 610316471 /nfs/dbraw/zinc/31/64/71/610316471.db2.gz JUPGXGWDCOQZOI-UHFFFAOYSA-N 1 2 335.411 0.705 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ncc(C)cc3OC)CC2)C1 ZINC000941440528 610316600 /nfs/dbraw/zinc/31/66/00/610316600.db2.gz LOXNZKDCHMMILS-UHFFFAOYSA-N 1 2 342.443 0.864 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCn4cc(C)nc4C3)CC2)C1 ZINC000941455739 610318300 /nfs/dbraw/zinc/31/83/00/610318300.db2.gz CKERKHJXGUWWKC-INIZCTEOSA-N 1 2 341.459 0.216 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnn(C)c3CCC)CC2)C1 ZINC000941471712 610330382 /nfs/dbraw/zinc/33/03/82/610330382.db2.gz HYKLZGJZGOLANG-UHFFFAOYSA-N 1 2 343.475 0.838 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000940744561 610353094 /nfs/dbraw/zinc/35/30/94/610353094.db2.gz GJNXEGOSGVUPIF-FMKPAKJESA-N 1 2 346.431 0.959 20 30 ECEDLO N#Cc1cc(C(=O)N2CCCN(C(=O)Cn3cc[nH+]c3)CC2)c[nH]1 ZINC000940809675 610373353 /nfs/dbraw/zinc/37/33/53/610373353.db2.gz SLZULDUKOYJBON-UHFFFAOYSA-N 1 2 326.360 0.458 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCN(C3C[NH+]([C@@H](C)C(=O)N(C)C)C3)CC2)C1 ZINC000941559812 610382314 /nfs/dbraw/zinc/38/23/14/610382314.db2.gz NFUUWGOLGFQTPE-HNNXBMFYSA-N 1 2 348.491 0.648 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnc(C4CC4)nc3)CC2)C1 ZINC000941596525 610413911 /nfs/dbraw/zinc/41/39/11/610413911.db2.gz JTWJIUUBEQJWLJ-UHFFFAOYSA-N 1 2 325.416 0.429 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3n[nH]c4c3C[C@@H](C)CC4)CC2)C1 ZINC000941627646 610416553 /nfs/dbraw/zinc/41/65/53/610416553.db2.gz ISDCOXWGHOAJNK-AWEZNQCLSA-N 1 2 341.459 0.610 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)CC2)C1 ZINC000941639705 610424601 /nfs/dbraw/zinc/42/46/01/610424601.db2.gz WHESHSLBIBITCE-OAHLLOKOSA-N 1 2 341.459 0.366 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc4c([nH]c3=O)CCC4)CC2)C1 ZINC000941668922 610459074 /nfs/dbraw/zinc/45/90/74/610459074.db2.gz SIPJDSRZZWVGEV-UHFFFAOYSA-N 1 2 340.427 0.351 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000942449782 610466214 /nfs/dbraw/zinc/46/62/14/610466214.db2.gz RUUOQGIDGFDDHR-RBSFLKMASA-N 1 2 326.400 0.654 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000942452798 610466947 /nfs/dbraw/zinc/46/69/47/610466947.db2.gz UNTMOHQGHZANBI-KFWWJZLASA-N 1 2 332.404 0.651 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000942452798 610466948 /nfs/dbraw/zinc/46/69/48/610466948.db2.gz UNTMOHQGHZANBI-KFWWJZLASA-N 1 2 332.404 0.651 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2cn(C)nn2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941929453 610566869 /nfs/dbraw/zinc/56/68/69/610566869.db2.gz MNHSAORWMPQRDR-BXUZGUMPSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2cn(C)nn2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941929453 610566870 /nfs/dbraw/zinc/56/68/70/610566870.db2.gz MNHSAORWMPQRDR-BXUZGUMPSA-N 1 2 327.392 0.655 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000941931961 610569439 /nfs/dbraw/zinc/56/94/39/610569439.db2.gz QRSBPWJGHVQTDY-QGZVFWFLSA-N 1 2 336.395 0.824 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)nn1 ZINC000941932290 610569580 /nfs/dbraw/zinc/56/95/80/610569580.db2.gz WMUDDBXANVJMRW-GFCCVEGCSA-N 1 2 343.391 0.069 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2ncnn2C)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966849 610581208 /nfs/dbraw/zinc/58/12/08/610581208.db2.gz OHJDKFXXRBOJRQ-DGCLKSJQSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2ncnn2C)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966849 610581211 /nfs/dbraw/zinc/58/12/11/610581211.db2.gz OHJDKFXXRBOJRQ-DGCLKSJQSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@H]1C[N@H+](Cc2ncnn2C)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941962480 610585761 /nfs/dbraw/zinc/58/57/61/610585761.db2.gz FIJIKUGFDKNBNI-SMDDNHRTSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@H]1C[N@@H+](Cc2ncnn2C)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941962480 610585763 /nfs/dbraw/zinc/58/57/63/610585763.db2.gz FIJIKUGFDKNBNI-SMDDNHRTSA-N 1 2 327.392 0.655 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000941202623 610594152 /nfs/dbraw/zinc/59/41/52/610594152.db2.gz HJAJAHNVNCYWPJ-RDJZCZTQSA-N 1 2 346.431 0.925 20 30 ECEDLO C=C1CCC(C(=O)NC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CCO2)CC1 ZINC000944759756 610767029 /nfs/dbraw/zinc/76/70/29/610767029.db2.gz SGAFCNXRTLLWMP-INIZCTEOSA-N 1 2 346.431 0.973 20 30 ECEDLO N#Cc1cc(C(=O)N2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)c[nH]1 ZINC000943342764 610810786 /nfs/dbraw/zinc/81/07/86/610810786.db2.gz NJXBFICOLODYAN-CQSZACIVSA-N 1 2 340.387 0.894 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(C)n3)C[C@H]2C)nn1 ZINC000943482170 610868717 /nfs/dbraw/zinc/86/87/17/610868717.db2.gz OENSXJXBHPIYTC-OCCSQVGLSA-N 1 2 344.423 0.233 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cnn(C)n3)C[C@H]2C)nn1 ZINC000943482170 610868720 /nfs/dbraw/zinc/86/87/20/610868720.db2.gz OENSXJXBHPIYTC-OCCSQVGLSA-N 1 2 344.423 0.233 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(C)n3)C[C@@H]2C)nn1 ZINC000943482169 610868879 /nfs/dbraw/zinc/86/88/79/610868879.db2.gz OENSXJXBHPIYTC-JSGCOSHPSA-N 1 2 344.423 0.233 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cnn(C)n3)C[C@@H]2C)nn1 ZINC000943482169 610868880 /nfs/dbraw/zinc/86/88/80/610868880.db2.gz OENSXJXBHPIYTC-JSGCOSHPSA-N 1 2 344.423 0.233 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)[nH]1 ZINC000943572362 610896257 /nfs/dbraw/zinc/89/62/57/610896257.db2.gz RRVSDUHFOIERSG-ZDUSSCGKSA-N 1 2 340.387 0.963 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CCCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC000943568916 610903994 /nfs/dbraw/zinc/90/39/94/610903994.db2.gz BGJXZOCWWIZBOV-CYBMUJFWSA-N 1 2 340.387 0.963 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1 ZINC000943592349 610906293 /nfs/dbraw/zinc/90/62/93/610906293.db2.gz YEHRRRKMIUKISO-IIDMSEBBSA-N 1 2 348.447 0.907 20 30 ECEDLO N#Cc1cc(C(=O)N[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)c[nH]1 ZINC000943682931 610944132 /nfs/dbraw/zinc/94/41/32/610944132.db2.gz JKPBGNYXBKLUIQ-HDJSIYSDSA-N 1 2 340.387 0.940 20 30 ECEDLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000945542874 611066740 /nfs/dbraw/zinc/06/67/40/611066740.db2.gz QQKDRKRMGIONAU-FZMZJTMJSA-N 1 2 340.387 0.819 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000944108765 611127684 /nfs/dbraw/zinc/12/76/84/611127684.db2.gz JRINQNOKUXWJEW-OAGGEKHMSA-N 1 2 346.431 0.972 20 30 ECEDLO C#CCC1(NC(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)CCC1 ZINC000923119494 611205350 /nfs/dbraw/zinc/20/53/50/611205350.db2.gz LJFUGDNFNXLXQF-IUODEOHRSA-N 1 2 329.404 0.985 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC000946325498 611219885 /nfs/dbraw/zinc/21/98/85/611219885.db2.gz MWFVQRNXATZZFM-GXTWGEPZSA-N 1 2 340.387 0.867 20 30 ECEDLO C#CC[C@@H]1NC(=O)N([C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1=O ZINC000842241999 611313091 /nfs/dbraw/zinc/31/30/91/611313091.db2.gz CEFIDFCWNICYGT-IRXDYDNUSA-N 1 2 341.411 0.874 20 30 ECEDLO C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCO[C@@](C)(C#N)C1 ZINC000933602448 611735244 /nfs/dbraw/zinc/73/52/44/611735244.db2.gz YTNKSWMJLXWJOQ-QAPCUYQASA-N 1 2 343.431 0.733 20 30 ECEDLO N#Cc1ccc([C@@H]2C[N@H+](CCCN3C(=O)CNC3=O)CCO2)cc1 ZINC000933625287 611735892 /nfs/dbraw/zinc/73/58/92/611735892.db2.gz RRNYCYGKOKRLMJ-HNNXBMFYSA-N 1 2 328.372 0.873 20 30 ECEDLO N#Cc1ccc([C@@H]2C[N@@H+](CCCN3C(=O)CNC3=O)CCO2)cc1 ZINC000933625287 611735894 /nfs/dbraw/zinc/73/58/94/611735894.db2.gz RRNYCYGKOKRLMJ-HNNXBMFYSA-N 1 2 328.372 0.873 20 30 ECEDLO C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000948958507 611770299 /nfs/dbraw/zinc/77/02/99/611770299.db2.gz NVWVEVVIDJCFQZ-IXDOHACOSA-N 1 2 341.411 0.368 20 30 ECEDLO C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000948958507 611770301 /nfs/dbraw/zinc/77/03/01/611770301.db2.gz NVWVEVVIDJCFQZ-IXDOHACOSA-N 1 2 341.411 0.368 20 30 ECEDLO C=CCC[NH+]1CC(N(CC)C(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC000950649481 611817257 /nfs/dbraw/zinc/81/72/57/611817257.db2.gz OPQVPFMTQUPNAI-UHFFFAOYSA-N 1 2 327.406 0.649 20 30 ECEDLO Cc1nonc1C[NH+]1CCC2(CC1)CN(C(=O)[C@H](C)C#N)CCO2 ZINC000949052068 611829314 /nfs/dbraw/zinc/82/93/14/611829314.db2.gz VXHSDPUQTFACBV-GFCCVEGCSA-N 1 2 333.392 0.731 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCOC2(CC[NH+](Cc3nncn3C)CC2)C1 ZINC000949052220 611830074 /nfs/dbraw/zinc/83/00/74/611830074.db2.gz ZFTGSESOQSNPRP-CYBMUJFWSA-N 1 2 332.408 0.168 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000950745907 611881668 /nfs/dbraw/zinc/88/16/68/611881668.db2.gz AWGXNHNYVWHKSD-LSDHHAIUSA-N 1 2 326.400 0.576 20 30 ECEDLO C[C@H](C(N)=O)[N@@H+]1CCOC2(CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000949331920 611940971 /nfs/dbraw/zinc/94/09/71/611940971.db2.gz IHBRJQSGGYQRIR-GFCCVEGCSA-N 1 2 345.403 0.067 20 30 ECEDLO C[C@H](C(N)=O)[N@H+]1CCOC2(CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000949331920 611940973 /nfs/dbraw/zinc/94/09/73/611940973.db2.gz IHBRJQSGGYQRIR-GFCCVEGCSA-N 1 2 345.403 0.067 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](C)c3cncnc3)CC2)C1 ZINC000949447600 611983742 /nfs/dbraw/zinc/98/37/42/611983742.db2.gz VGYILVMAAYADAR-OAHLLOKOSA-N 1 2 328.416 0.907 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H](C)c3cncnc3)CC2)C1 ZINC000949447600 611983744 /nfs/dbraw/zinc/98/37/44/611983744.db2.gz VGYILVMAAYADAR-OAHLLOKOSA-N 1 2 328.416 0.907 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)CCc3ncccn3)CC2)C1 ZINC000949498321 612008145 /nfs/dbraw/zinc/00/81/45/612008145.db2.gz FYFOMDQSJISVJN-UHFFFAOYSA-N 1 2 328.416 0.736 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)CCc3ncccn3)CC2)C1 ZINC000949498321 612008146 /nfs/dbraw/zinc/00/81/46/612008146.db2.gz FYFOMDQSJISVJN-UHFFFAOYSA-N 1 2 328.416 0.736 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000952067345 612210396 /nfs/dbraw/zinc/21/03/96/612210396.db2.gz UPUCQIXTDZVOIG-BMFZPTHFSA-N 1 2 346.431 0.661 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000953452704 612360370 /nfs/dbraw/zinc/36/03/70/612360370.db2.gz QCORFEZGRVLIGS-GOEBONIOSA-N 1 2 326.400 0.815 20 30 ECEDLO C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000956837933 612607434 /nfs/dbraw/zinc/60/74/34/612607434.db2.gz UCSFYIUBUSUIKM-MRXNPFEDSA-N 1 2 326.360 0.573 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cn1 ZINC000954912869 612782338 /nfs/dbraw/zinc/78/23/38/612782338.db2.gz MFQXJXJHRYZCMB-HZPDHXFCSA-N 1 2 349.394 0.873 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cn1 ZINC000954912869 612782340 /nfs/dbraw/zinc/78/23/40/612782340.db2.gz MFQXJXJHRYZCMB-HZPDHXFCSA-N 1 2 349.394 0.873 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nc1 ZINC000954918123 612786775 /nfs/dbraw/zinc/78/67/75/612786775.db2.gz YVHVQVKFBFIJFN-HUUCEWRRSA-N 1 2 349.394 0.873 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nc1 ZINC000954918123 612786777 /nfs/dbraw/zinc/78/67/77/612786777.db2.gz YVHVQVKFBFIJFN-HUUCEWRRSA-N 1 2 349.394 0.873 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000954391824 612888922 /nfs/dbraw/zinc/88/89/22/612888922.db2.gz CZRHZTCXPMFPDN-YOEHRIQHSA-N 1 2 346.431 0.993 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)cn1 ZINC000956568726 612913830 /nfs/dbraw/zinc/91/38/30/612913830.db2.gz VRTOETOYDVOITF-QGZVFWFLSA-N 1 2 326.400 0.442 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)Cc3ccc[nH]3)CC2)C1 ZINC000956594089 612921512 /nfs/dbraw/zinc/92/15/12/612921512.db2.gz KYBZUZWXIPPBBQ-GDBMZVCRSA-N 1 2 343.431 0.462 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCN(C(C)=O)C3)CC2)nc1 ZINC000956601204 612923436 /nfs/dbraw/zinc/92/34/36/612923436.db2.gz MHSSJJYKWRVHEI-INIZCTEOSA-N 1 2 326.400 0.442 20 30 ECEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc(C#N)cn1 ZINC001164701057 719843772 /nfs/dbraw/zinc/84/37/72/719843772.db2.gz LQCHPBMOFAIMIJ-YOEHRIQHSA-N 1 2 345.403 0.581 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)nc1 ZINC000972992109 738501168 /nfs/dbraw/zinc/50/11/68/738501168.db2.gz IRMQRXXHEGDUKF-NVXWUHKLSA-N 1 2 349.394 0.633 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2Cc3ccccc3O2)[C@@H](n2ccnn2)C1 ZINC001069973010 790264703 /nfs/dbraw/zinc/26/47/03/790264703.db2.gz HPWKWBKOKCJHOA-HLLBOEOZSA-N 1 2 337.383 0.257 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2Cc3ccccc3O2)[C@@H](n2ccnn2)C1 ZINC001069973010 790264707 /nfs/dbraw/zinc/26/47/07/790264707.db2.gz HPWKWBKOKCJHOA-HLLBOEOZSA-N 1 2 337.383 0.257 20 30 ECEDLO N#Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)Cn2cc[nH+]c2)c[nH]1 ZINC000969314977 731707485 /nfs/dbraw/zinc/70/74/85/731707485.db2.gz BYWDLEOLXAPACF-GASCZTMLSA-N 1 2 338.371 0.598 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccnc(-n4cccn4)c3)[C@H]2C1 ZINC001083188158 731764375 /nfs/dbraw/zinc/76/43/75/731764375.db2.gz HOHKYXUHNFVWJB-JKSUJKDBSA-N 1 2 337.383 0.426 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccnc(-n4cccn4)c3)[C@H]2C1 ZINC001083188158 731764377 /nfs/dbraw/zinc/76/43/77/731764377.db2.gz HOHKYXUHNFVWJB-JKSUJKDBSA-N 1 2 337.383 0.426 20 30 ECEDLO Cc1cc(C)c(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)c(C)[nH+]1 ZINC000969600456 731997303 /nfs/dbraw/zinc/99/73/03/731997303.db2.gz BKASDAJSUNNCOR-CVEARBPZSA-N 1 2 341.411 0.722 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000970042198 732664818 /nfs/dbraw/zinc/66/48/18/732664818.db2.gz GMHJAZUDOIAKMS-VQJWOFKYSA-N 1 2 341.415 0.885 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3cnoc3C)C[C@@H]21 ZINC001083198775 733102549 /nfs/dbraw/zinc/10/25/49/733102549.db2.gz QDTZITVAZPZAFW-LTIDMASMSA-N 1 2 347.415 0.986 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](Cc3cnoc3C)C[C@@H]21 ZINC001083198775 733102552 /nfs/dbraw/zinc/10/25/52/733102552.db2.gz QDTZITVAZPZAFW-LTIDMASMSA-N 1 2 347.415 0.986 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 ZINC000970215900 733209676 /nfs/dbraw/zinc/20/96/76/733209676.db2.gz CUCXALUKALZRLL-BYCMXARLSA-N 1 2 343.855 0.811 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H](C)C2C[NH+](CC(=O)NC3CC3)C2)cc1 ZINC000970255419 733262424 /nfs/dbraw/zinc/26/24/24/733262424.db2.gz HJXPQQRSTHXGCX-ZDUSSCGKSA-N 1 2 325.412 0.997 20 30 ECEDLO C[C@H](NC(=O)[C@@H]1CCNC1=O)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970268036 733281821 /nfs/dbraw/zinc/28/18/21/733281821.db2.gz KNGIPEWHNKAOEU-XHDPSFHLSA-N 1 2 344.390 0.770 20 30 ECEDLO C[C@H](NC(=O)[C@H]1CCNC1=O)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000970268711 733282041 /nfs/dbraw/zinc/28/20/41/733282041.db2.gz OEJDLYILCTVVKW-NHYWBVRUSA-N 1 2 344.390 0.770 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]2O)CC1 ZINC000970323455 733355326 /nfs/dbraw/zinc/35/53/26/733355326.db2.gz WJYSHZVMIGYSLE-CABCVRRESA-N 1 2 346.431 0.777 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC(O)(CNc2[nH+]cnc3c2cnn3C)CC1 ZINC001067471521 733556299 /nfs/dbraw/zinc/55/62/99/733556299.db2.gz FKXPUTPBRSCPQZ-NSHDSACASA-N 1 2 343.391 0.288 20 30 ECEDLO C[C@H](C#N)C(=O)NCC[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001078134834 782352089 /nfs/dbraw/zinc/35/20/89/782352089.db2.gz KBDKKFWOZSMERV-OLZOCXBDSA-N 1 2 331.420 0.933 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC000970735732 733890473 /nfs/dbraw/zinc/89/04/73/733890473.db2.gz SPCGEVDYJJVMMQ-QMMMGPOBSA-N 1 2 342.783 0.699 20 30 ECEDLO Cc1nc(N2CCO[C@H](CNC(=O)Cn3cc[nH+]c3)C2)ccc1C#N ZINC001104321547 734297020 /nfs/dbraw/zinc/29/70/20/734297020.db2.gz HLKCUIXORNFNQY-OAHLLOKOSA-N 1 2 340.387 0.480 20 30 ECEDLO N#Cc1cccnc1N1CCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001104326840 734327637 /nfs/dbraw/zinc/32/76/37/734327637.db2.gz UJEMAWMQHVDDAI-ZDUSSCGKSA-N 1 2 326.360 0.240 20 30 ECEDLO N#Cc1cnccc1N1CCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001104350273 734525550 /nfs/dbraw/zinc/52/55/50/734525550.db2.gz SMQCXBHQLNEEOT-AWEZNQCLSA-N 1 2 326.360 0.240 20 30 ECEDLO N#Cc1nccc(N2CCO[C@@H](CNC(=O)CCc3c[nH]c[nH+]3)C2)n1 ZINC001104353233 734597678 /nfs/dbraw/zinc/59/76/78/734597678.db2.gz RUNFNXCEYLHPJG-ZDUSSCGKSA-N 1 2 341.375 0.026 20 30 ECEDLO N#Cc1nccc(N2CCO[C@@H](CNC(=O)CCc3c[nH+]c[nH]3)C2)n1 ZINC001104353233 734597679 /nfs/dbraw/zinc/59/76/79/734597679.db2.gz RUNFNXCEYLHPJG-ZDUSSCGKSA-N 1 2 341.375 0.026 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC000971604729 734792862 /nfs/dbraw/zinc/79/28/62/734792862.db2.gz IXYSCLXVDCZJDT-LLVKDONJSA-N 1 2 328.214 0.719 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC000971604729 734792863 /nfs/dbraw/zinc/79/28/63/734792863.db2.gz IXYSCLXVDCZJDT-LLVKDONJSA-N 1 2 328.214 0.719 20 30 ECEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC1CC1 ZINC001111489600 734882579 /nfs/dbraw/zinc/88/25/79/734882579.db2.gz FMEGLVKUBRPBGG-MIGQKNRLSA-N 1 2 335.448 0.825 20 30 ECEDLO C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC1CC1 ZINC001111489600 734882583 /nfs/dbraw/zinc/88/25/83/734882583.db2.gz FMEGLVKUBRPBGG-MIGQKNRLSA-N 1 2 335.448 0.825 20 30 ECEDLO CC(C)N(CCN(C)c1cnc(C#N)cn1)C(=O)Cn1cc[nH+]c1 ZINC001125542922 735003905 /nfs/dbraw/zinc/00/39/05/735003905.db2.gz ANESUGGWZRCUCO-UHFFFAOYSA-N 1 2 327.392 0.918 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000973189085 738877455 /nfs/dbraw/zinc/87/74/55/738877455.db2.gz MCRHGQCPSKSJIJ-HAQNSBGRSA-N 1 2 326.360 0.538 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4ncccn4n3)[C@H]2C1 ZINC001083229562 735233465 /nfs/dbraw/zinc/23/34/65/735233465.db2.gz GQKMOYVOWOUGJU-LSDHHAIUSA-N 1 2 325.372 0.278 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc4ncccn4n3)[C@H]2C1 ZINC001083229562 735233469 /nfs/dbraw/zinc/23/34/69/735233469.db2.gz GQKMOYVOWOUGJU-LSDHHAIUSA-N 1 2 325.372 0.278 20 30 ECEDLO Cn1c[nH+]cc1CN1CCO[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 ZINC000972378320 736044889 /nfs/dbraw/zinc/04/48/89/736044889.db2.gz QGKUSRCSLJVNBV-SFHVURJKSA-N 1 2 328.416 0.637 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn4ccc(C)nc34)[C@H]2C1 ZINC001083251040 736088405 /nfs/dbraw/zinc/08/84/05/736088405.db2.gz YEADYHPOVQQXGY-JKSUJKDBSA-N 1 2 339.399 0.586 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn4ccc(C)nc34)[C@H]2C1 ZINC001083251040 736088408 /nfs/dbraw/zinc/08/84/08/736088408.db2.gz YEADYHPOVQQXGY-JKSUJKDBSA-N 1 2 339.399 0.586 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(N(C)C)nn3)[C@H]2C1 ZINC001083251029 736088807 /nfs/dbraw/zinc/08/88/07/736088807.db2.gz XINKMWAIBKYMMP-LSDHHAIUSA-N 1 2 329.404 0.091 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(N(C)C)nn3)[C@H]2C1 ZINC001083251029 736088814 /nfs/dbraw/zinc/08/88/14/736088814.db2.gz XINKMWAIBKYMMP-LSDHHAIUSA-N 1 2 329.404 0.091 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn4c(n3)CCC4)C2)C1 ZINC000972389444 736105563 /nfs/dbraw/zinc/10/55/63/736105563.db2.gz NGIUGCNGGUNYPW-SFHVURJKSA-N 1 2 328.416 0.770 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn4c(n3)CCC4)C2)C1 ZINC000972389444 736105565 /nfs/dbraw/zinc/10/55/65/736105565.db2.gz NGIUGCNGGUNYPW-SFHVURJKSA-N 1 2 328.416 0.770 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4n[nH]nc4n3)C2)C1 ZINC000972406384 736139554 /nfs/dbraw/zinc/13/95/54/736139554.db2.gz FWYCPRJFSNZLBV-KRWDZBQOSA-N 1 2 340.387 0.293 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4n[nH]nc4n3)C2)C1 ZINC000972406384 736139558 /nfs/dbraw/zinc/13/95/58/736139558.db2.gz FWYCPRJFSNZLBV-KRWDZBQOSA-N 1 2 340.387 0.293 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnn4c3CCC4)C2)C1 ZINC000972406181 736139699 /nfs/dbraw/zinc/13/96/99/736139699.db2.gz CNCNMDPUULQLQR-GOSISDBHSA-N 1 2 328.416 0.770 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnn4c3CCC4)C2)C1 ZINC000972406181 736139702 /nfs/dbraw/zinc/13/97/02/736139702.db2.gz CNCNMDPUULQLQR-GOSISDBHSA-N 1 2 328.416 0.770 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccnn3CCOC)C2)C1 ZINC000972429135 736178367 /nfs/dbraw/zinc/17/83/67/736178367.db2.gz XQGIIGPGAVAKQO-GOSISDBHSA-N 1 2 346.431 0.470 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccnn3CCOC)C2)C1 ZINC000972429135 736178369 /nfs/dbraw/zinc/17/83/69/736178369.db2.gz XQGIIGPGAVAKQO-GOSISDBHSA-N 1 2 346.431 0.470 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3cnccc3OC)C2)C1 ZINC000972432144 736182391 /nfs/dbraw/zinc/18/23/91/736182391.db2.gz YSICLYOUUMOWBG-IBGZPJMESA-N 1 2 343.427 0.959 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cnccc3OC)C2)C1 ZINC000972432144 736182393 /nfs/dbraw/zinc/18/23/93/736182393.db2.gz YSICLYOUUMOWBG-IBGZPJMESA-N 1 2 343.427 0.959 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3ccc(C(N)=O)nc3)C2)C1 ZINC000972436591 736191757 /nfs/dbraw/zinc/19/17/57/736191757.db2.gz YOYLZAWWLUAYPU-GOSISDBHSA-N 1 2 344.415 0.212 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3ccc(C(N)=O)nc3)C2)C1 ZINC000972436591 736191759 /nfs/dbraw/zinc/19/17/59/736191759.db2.gz YOYLZAWWLUAYPU-GOSISDBHSA-N 1 2 344.415 0.212 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nncn4CC3)C2)C1 ZINC000972471385 736281080 /nfs/dbraw/zinc/28/10/80/736281080.db2.gz IYMJVLCNZKJLME-YJBOKZPZSA-N 1 2 345.447 0.720 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nncn4CC3)C2)C1 ZINC000972471385 736281083 /nfs/dbraw/zinc/28/10/83/736281083.db2.gz IYMJVLCNZKJLME-YJBOKZPZSA-N 1 2 345.447 0.720 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nc(C)nn4C3)C2)C1 ZINC000972478884 736300797 /nfs/dbraw/zinc/30/07/97/736300797.db2.gz NLBXEVKAOVLMSW-CRAIPNDOSA-N 1 2 343.431 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C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3Cc4cccc(C)c4O3)[C@H]2C1 ZINC001083295227 741076858 /nfs/dbraw/zinc/07/68/58/741076858.db2.gz NBUCOIRLZDQKBN-YESZJQIVSA-N 1 2 326.396 0.843 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000974239333 741155156 /nfs/dbraw/zinc/15/51/56/741155156.db2.gz JUDVMXCGPDBYPC-OKILXGFUSA-N 1 2 327.388 0.948 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C3CCCC3)C2)nn1 ZINC001105130480 741400551 /nfs/dbraw/zinc/40/05/51/741400551.db2.gz NTYJZQDSFXCTJN-UHFFFAOYSA-N 1 2 346.435 0.243 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)CC3CC3)C2)nn1 ZINC001105130982 741400923 /nfs/dbraw/zinc/40/09/23/741400923.db2.gz XUZDAPPBWTXFMN-LBPRGKRZSA-N 1 2 346.435 0.242 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccccc3)C2)nn1 ZINC001105139298 741412262 /nfs/dbraw/zinc/41/22/62/741412262.db2.gz CWJXXZIFXANNTD-UHFFFAOYSA-N 1 2 339.399 0.715 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H](Nc1nc(N(C)C)nc(C)[nH+]1)C(C)C ZINC001105225961 741507694 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CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc(C4CC4)o3)C2)nn1 ZINC001105262223 741588604 /nfs/dbraw/zinc/58/86/04/741588604.db2.gz PEMCMJUKETXLTR-UHFFFAOYSA-N 1 2 340.387 0.954 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[C@H]3OC)C2)nn1 ZINC001105271091 741615689 /nfs/dbraw/zinc/61/56/89/741615689.db2.gz WBDDFVOEFZJUPJ-JKSUJKDBSA-N 1 2 331.420 0.589 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ncc(F)cc3F)C2)nn1 ZINC001105270523 741616826 /nfs/dbraw/zinc/61/68/26/741616826.db2.gz BEMDIJQBOMJLEZ-UHFFFAOYSA-N 1 2 332.314 0.371 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]nc3CCC)C2)nn1 ZINC001105275107 741620625 /nfs/dbraw/zinc/62/06/25/741620625.db2.gz CQVLPSQLKMYKDI-UHFFFAOYSA-N 1 2 341.419 0.764 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](OC)[C@@H](C)CC)C2)nn1 ZINC001105275436 741621201 /nfs/dbraw/zinc/62/12/01/741621201.db2.gz QEKUDOVKUWIYNR-BBRMVZONSA-N 1 2 333.436 0.835 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccnnc3C)C2)nn1 ZINC001105276943 741627761 /nfs/dbraw/zinc/62/77/61/741627761.db2.gz ZTLXAOOLUYVMCS-UHFFFAOYSA-N 1 2 325.376 0.187 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3ccon3)C2)nn1 ZINC001105280893 741637291 /nfs/dbraw/zinc/63/72/91/741637291.db2.gz JEEMZLNTKWCLAK-UHFFFAOYSA-N 1 2 328.376 0.395 20 30 ECEDLO C=C[C@](C)(CCOC)C(=O)N1CC(n2cc(C[NH2+]CCF)nn2)C1 ZINC001105292457 741656852 /nfs/dbraw/zinc/65/68/52/741656852.db2.gz QAGSUSBPLPWQMQ-MRXNPFEDSA-N 1 2 339.415 0.949 20 30 ECEDLO C=C1CCC(C(=O)N(CCO)CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001058727039 741657201 /nfs/dbraw/zinc/65/72/01/741657201.db2.gz VHEPPMKIWOJVOJ-UHFFFAOYSA-N 1 2 334.420 0.567 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CC(n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001105309750 741718441 /nfs/dbraw/zinc/71/84/41/741718441.db2.gz AZXAELMBWQIDEB-VXGBXAGGSA-N 1 2 334.424 0.227 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc(C)n3C)C2)nn1 ZINC001105312529 741729931 /nfs/dbraw/zinc/72/99/31/741729931.db2.gz QDGOFQCFGBBZSW-UHFFFAOYSA-N 1 2 327.392 0.130 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3C[C@@H]3C)C2)nn1 ZINC001105318944 741764805 /nfs/dbraw/zinc/76/48/05/741764805.db2.gz UXTBXWGAJIPWPH-STQMWFEESA-N 1 2 346.435 0.099 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CC(n2cc(C[NH2+]CC(=O)N(C)C)nn2)C1 ZINC001105319029 741765896 /nfs/dbraw/zinc/76/58/96/741765896.db2.gz XMUNYDZUJUFZBX-QGZVFWFLSA-N 1 2 348.451 0.442 20 30 ECEDLO C=CCC1(C(=O)N2CC(n3cc(C[NH2+][C@H](C)C(N)=O)nn3)C2)CCC1 ZINC001105322444 741781148 /nfs/dbraw/zinc/78/11/48/741781148.db2.gz QAEZPAWDNJKPJB-GFCCVEGCSA-N 1 2 346.435 0.371 20 30 ECEDLO N#CCN1CCCC2(CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C2)C1 ZINC000982159519 751668195 /nfs/dbraw/zinc/66/81/95/751668195.db2.gz HWHZSSREIWXUEJ-MRXNPFEDSA-N 1 2 332.448 0.545 20 30 ECEDLO N#Cc1cc(C[N@@H+]2C[C@@H](NC(=O)C3CCOCC3)[C@@H](O)C2)ccc1F ZINC001083303245 741797931 /nfs/dbraw/zinc/79/79/31/741797931.db2.gz RCOKGXQJJHQVLT-SJORKVTESA-N 1 2 347.390 0.785 20 30 ECEDLO N#Cc1cc(C[N@H+]2C[C@@H](NC(=O)C3CCOCC3)[C@@H](O)C2)ccc1F ZINC001083303245 741797934 /nfs/dbraw/zinc/79/79/34/741797934.db2.gz RCOKGXQJJHQVLT-SJORKVTESA-N 1 2 347.390 0.785 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccn(C)c3CC)C2)nn1 ZINC001105327082 741809166 /nfs/dbraw/zinc/80/91/66/741809166.db2.gz ROPOTYLTLPBVEZ-UHFFFAOYSA-N 1 2 340.431 0.989 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ocnc3C(F)F)C2)nn1 ZINC001105328636 741822969 /nfs/dbraw/zinc/82/29/69/741822969.db2.gz NSMGMROTSQLWFD-UHFFFAOYSA-N 1 2 336.302 0.624 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nn1 ZINC001105332171 741843547 /nfs/dbraw/zinc/84/35/47/741843547.db2.gz ZYIXXFCLCRLIJK-OAGGEKHMSA-N 1 2 329.404 0.342 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CN2CCOCC2=O)C(C)(C)C1 ZINC000974695498 742041379 /nfs/dbraw/zinc/04/13/79/742041379.db2.gz FWLYASKVYWPXDF-GFCCVEGCSA-N 1 2 329.828 0.424 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CN2CCOCC2=O)C(C)(C)C1 ZINC000974695498 742041385 /nfs/dbraw/zinc/04/13/85/742041385.db2.gz FWLYASKVYWPXDF-GFCCVEGCSA-N 1 2 329.828 0.424 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(CCC)c3)C2)nn1 ZINC001105336991 742439027 /nfs/dbraw/zinc/43/90/27/742439027.db2.gz OSCFPXKWDUMXJS-UHFFFAOYSA-N 1 2 341.419 0.695 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 ZINC000982227091 751731788 /nfs/dbraw/zinc/73/17/88/751731788.db2.gz HHTHNZHFVAPYDH-UHFFFAOYSA-N 1 2 340.811 0.214 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 ZINC000982227091 751731790 /nfs/dbraw/zinc/73/17/90/751731790.db2.gz HHTHNZHFVAPYDH-UHFFFAOYSA-N 1 2 340.811 0.214 20 30 ECEDLO COCCN(CCNC(=O)CCn1cc[nH+]c1)c1ncccc1C#N ZINC001126451152 742851633 /nfs/dbraw/zinc/85/16/33/742851633.db2.gz PPOORRVVJCQTQI-UHFFFAOYSA-N 1 2 342.403 0.809 20 30 ECEDLO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC001125998743 743165485 /nfs/dbraw/zinc/16/54/85/743165485.db2.gz UQJJEIFSYMHIBV-NSHDSACASA-N 1 2 335.408 0.273 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)c3cccc4[nH+]ccn43)C2)nc1 ZINC000997092618 743224378 /nfs/dbraw/zinc/22/43/78/743224378.db2.gz HQODSZXHIZVEJX-UHFFFAOYSA-N 1 2 345.362 0.965 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](NC(=O)C(C)(C)F)[C@@H](O)C2)cc1C#N ZINC001083305672 743354165 /nfs/dbraw/zinc/35/41/65/743354165.db2.gz ZPAVDQHVLMHDPX-KGLIPLIRSA-N 1 2 335.379 0.976 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)C(C)(C)F)[C@@H](O)C2)cc1C#N ZINC001083305672 743354173 /nfs/dbraw/zinc/35/41/73/743354173.db2.gz ZPAVDQHVLMHDPX-KGLIPLIRSA-N 1 2 335.379 0.976 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCC[C@@H]3OC)C2)nn1 ZINC001105381319 743458383 /nfs/dbraw/zinc/45/83/83/743458383.db2.gz XHQWQCFDWZEWBT-SJORKVTESA-N 1 2 345.447 0.980 20 30 ECEDLO C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3ccn[nH]3)C2)nn1 ZINC001098641650 751844094 /nfs/dbraw/zinc/84/40/94/751844094.db2.gz WALZTFGHCFFVJY-HNNXBMFYSA-N 1 2 329.408 0.683 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3cnsn3)C2)C1=O ZINC001006797833 751845387 /nfs/dbraw/zinc/84/53/87/751845387.db2.gz KIUJQEBJGHKWPD-AAEUAGOBSA-N 1 2 335.433 0.519 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cnsn3)C2)C1=O ZINC001006797833 751845391 /nfs/dbraw/zinc/84/53/91/751845391.db2.gz KIUJQEBJGHKWPD-AAEUAGOBSA-N 1 2 335.433 0.519 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(COC)on3)C2)nn1 ZINC001105339233 744328512 /nfs/dbraw/zinc/32/85/12/744328512.db2.gz MATRJLBLEQKLGW-UHFFFAOYSA-N 1 2 344.375 0.223 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]c[nH]2)cn1 ZINC000998955026 744427156 /nfs/dbraw/zinc/42/71/56/744427156.db2.gz RVXJMTADNDQFKB-IKGGRYGDSA-N 1 2 349.394 0.890 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)Cc4[nH]c[nH+]c4C)C[C@H]32)cn1 ZINC000976912252 744487924 /nfs/dbraw/zinc/48/79/24/744487924.db2.gz OXJRAUHKLRKAAR-HWWDLCQESA-N 1 2 349.394 0.524 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@H]32)cc1 ZINC000976936215 744491523 /nfs/dbraw/zinc/49/15/23/744491523.db2.gz JJIRJESUBQNMPV-DZFIZOCASA-N 1 2 348.406 0.831 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3nc(C)ncc3Cl)C2)nn1 ZINC001105339640 744580075 /nfs/dbraw/zinc/58/00/75/744580075.db2.gz VIBVSFADCRCADY-UHFFFAOYSA-N 1 2 345.794 0.450 20 30 ECEDLO C#Cc1cncc(C(=O)NC2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)c1 ZINC000999319484 744623430 /nfs/dbraw/zinc/62/34/30/744623430.db2.gz JVAHQCJSQYDYNQ-HNNXBMFYSA-N 1 2 349.394 0.847 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)c1 ZINC000999359929 744652508 /nfs/dbraw/zinc/65/25/08/744652508.db2.gz YQRRZXZRTRYTJU-LBPRGKRZSA-N 1 2 338.371 0.670 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C3)c1 ZINC000999730652 744874704 /nfs/dbraw/zinc/87/47/04/744874704.db2.gz ONHRVTFGUFWGTD-DYEKYZERSA-N 1 2 338.371 0.714 20 30 ECEDLO C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C3)cn1 ZINC000999733364 744876415 /nfs/dbraw/zinc/87/64/15/744876415.db2.gz ILBZEJMSYMWBQR-PMPSAXMXSA-N 1 2 349.394 0.890 20 30 ECEDLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CN(C(=O)C#CC2CC2)C1 ZINC001006894769 751952790 /nfs/dbraw/zinc/95/27/90/751952790.db2.gz HMQOUYNPAFAPAK-DAXOMENPSA-N 1 2 340.427 0.900 20 30 ECEDLO C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C3)nc1 ZINC000999736469 744877946 /nfs/dbraw/zinc/87/79/46/744877946.db2.gz YNDXPXUDGOIHJI-KBMXLJTQSA-N 1 2 349.394 0.890 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(C)nc2)[C@H](OC)C1 ZINC001211855268 744983063 /nfs/dbraw/zinc/98/30/63/744983063.db2.gz ITIHUDSLNJFBHK-NUEKZKHPSA-N 1 2 346.431 0.510 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(C)nc2)[C@H](OC)C1 ZINC001211855268 744983066 /nfs/dbraw/zinc/98/30/66/744983066.db2.gz ITIHUDSLNJFBHK-NUEKZKHPSA-N 1 2 346.431 0.510 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2nc(CC(=O)NC)no2)C1 ZINC000999895418 745027407 /nfs/dbraw/zinc/02/74/07/745027407.db2.gz ZZPMUTYKBDTYII-LBPRGKRZSA-N 1 2 349.435 0.651 20 30 ECEDLO CN(CCCN(C)c1ccnc(C#N)n1)C(=O)CCn1cc[nH+]c1 ZINC001112149364 745136233 /nfs/dbraw/zinc/13/62/33/745136233.db2.gz YZVGTCSLMVXIHP-UHFFFAOYSA-N 1 2 327.392 0.920 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H](n2cc(C[NH2+][C@H](C)C(=O)NC)nn2)C1 ZINC001098697423 745230164 /nfs/dbraw/zinc/23/01/64/745230164.db2.gz HVUYOTZJFDNYBG-TZMCWYRMSA-N 1 2 348.451 0.488 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC34CCOCC4)C2)nn1 ZINC001105384290 745250268 /nfs/dbraw/zinc/25/02/68/745250268.db2.gz FUCRVWZERKVJOD-INIZCTEOSA-N 1 2 343.431 0.591 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCCCO3)[C@@H](O)C2)cc1F ZINC001083410828 745266741 /nfs/dbraw/zinc/26/67/41/745266741.db2.gz WNRZNPCHLIIEOQ-IKGGRYGDSA-N 1 2 347.390 0.928 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CCCCO3)[C@@H](O)C2)cc1F ZINC001083410828 745266748 /nfs/dbraw/zinc/26/67/48/745266748.db2.gz WNRZNPCHLIIEOQ-IKGGRYGDSA-N 1 2 347.390 0.928 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001029245084 745428617 /nfs/dbraw/zinc/42/86/17/745428617.db2.gz PAEPRRFFXISMEC-TUVASFSCSA-N 1 2 339.461 0.646 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCCS(=O)(=O)C1 ZINC001029245084 745428618 /nfs/dbraw/zinc/42/86/18/745428618.db2.gz PAEPRRFFXISMEC-TUVASFSCSA-N 1 2 339.461 0.646 20 30 ECEDLO C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)Cc2ncn[nH]2)C1 ZINC001000643384 745659296 /nfs/dbraw/zinc/65/92/96/745659296.db2.gz IGQIBVJWMJMKPC-SNVBAGLBSA-N 1 2 328.214 0.836 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3nnn(C)c3C)C2)C1=O ZINC001006993785 752031410 /nfs/dbraw/zinc/03/14/10/752031410.db2.gz JLEBKFNLUKEXBP-KBPBESRZSA-N 1 2 346.435 0.105 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3nnn(C)c3C)C2)C1=O ZINC001006993785 752031415 /nfs/dbraw/zinc/03/14/15/752031415.db2.gz JLEBKFNLUKEXBP-KBPBESRZSA-N 1 2 346.435 0.105 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C(C)C)cn2)[C@H](OC)C1 ZINC001213209766 745831934 /nfs/dbraw/zinc/83/19/34/745831934.db2.gz VGCKOMNQTJQQIB-GDBMZVCRSA-N 1 2 334.420 0.543 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2cn(C(C)C)cn2)[C@H](OC)C1 ZINC001213209766 745831940 /nfs/dbraw/zinc/83/19/40/745831940.db2.gz VGCKOMNQTJQQIB-GDBMZVCRSA-N 1 2 334.420 0.543 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2COC(=O)N2)[C@H]1CC ZINC001087560059 746032277 /nfs/dbraw/zinc/03/22/77/746032277.db2.gz MNLAZLSMRAJSBU-HBNTYKKESA-N 1 2 346.225 0.973 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2COC(=O)N2)[C@H]1CC ZINC001087560059 746032286 /nfs/dbraw/zinc/03/22/86/746032286.db2.gz MNLAZLSMRAJSBU-HBNTYKKESA-N 1 2 346.225 0.973 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@H]([N@H+](C)Cc3nonc3C)C2)nn1 ZINC001027606815 746159138 /nfs/dbraw/zinc/15/91/38/746159138.db2.gz NGMSTIFZFNNWRH-ZDUSSCGKSA-N 1 2 345.407 0.892 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@H]([N@@H+](C)Cc3nonc3C)C2)nn1 ZINC001027606815 746159142 /nfs/dbraw/zinc/15/91/42/746159142.db2.gz NGMSTIFZFNNWRH-ZDUSSCGKSA-N 1 2 345.407 0.892 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cc1c[nH+]cn1C ZINC000978421422 746321011 /nfs/dbraw/zinc/32/10/11/746321011.db2.gz PDHUSRHXPQTPSO-BMFZPTHFSA-N 1 2 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C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](OC)C1 ZINC001212080940 752696991 /nfs/dbraw/zinc/69/69/91/752696991.db2.gz DWPZQCQVFLWBBH-NILFDRSVSA-N 1 2 345.403 0.006 20 30 ECEDLO CO[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001212081319 752715429 /nfs/dbraw/zinc/71/54/29/752715429.db2.gz KSHFSAKLEZJDSP-HUUCEWRRSA-N 1 2 347.419 0.182 20 30 ECEDLO CO[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001212081319 752715436 /nfs/dbraw/zinc/71/54/36/752715436.db2.gz KSHFSAKLEZJDSP-HUUCEWRRSA-N 1 2 347.419 0.182 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1)CCO2 ZINC001007653606 752716981 /nfs/dbraw/zinc/71/69/81/752716981.db2.gz JICZPNNNRCFVQA-SFHVURJKSA-N 1 2 342.399 0.126 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C2CC(F)(F)C2)[C@H](OC)C1 ZINC001212096397 752720325 /nfs/dbraw/zinc/72/03/25/752720325.db2.gz AEGDXQIJZONKPY-VXGBXAGGSA-N 1 2 331.363 0.149 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C2CC(F)(F)C2)[C@H](OC)C1 ZINC001212096397 752720329 /nfs/dbraw/zinc/72/03/29/752720329.db2.gz AEGDXQIJZONKPY-VXGBXAGGSA-N 1 2 331.363 0.149 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C(C)=C2CCCC2)[C@H](OC)C1 ZINC001212095003 752722774 /nfs/dbraw/zinc/72/27/74/752722774.db2.gz OGFUOKTYQNSDBH-HZPDHXFCSA-N 1 2 333.432 0.442 20 30 ECEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C(C)=C2CCCC2)[C@H](OC)C1 ZINC001212095003 752722776 /nfs/dbraw/zinc/72/27/76/752722776.db2.gz OGFUOKTYQNSDBH-HZPDHXFCSA-N 1 2 333.432 0.442 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@@H+](CC(=O)Nc3ccon3)C2)c1 ZINC001028470043 752771195 /nfs/dbraw/zinc/77/11/95/752771195.db2.gz ZHHHMEUASLNVSE-LLVKDONJSA-N 1 2 342.359 0.565 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@H+](CC(=O)Nc3ccon3)C2)c1 ZINC001028470043 752771198 /nfs/dbraw/zinc/77/11/98/752771198.db2.gz ZHHHMEUASLNVSE-LLVKDONJSA-N 1 2 342.359 0.565 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@]2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)CCO2 ZINC001007684850 752785656 /nfs/dbraw/zinc/78/56/56/752785656.db2.gz LXDWMGATPMZMNY-GOSISDBHSA-N 1 2 346.431 0.994 20 30 ECEDLO COCCN(CCNC(=O)Cc1c[nH+]cn1C)c1ccc(C#N)nc1 ZINC001126373117 752813588 /nfs/dbraw/zinc/81/35/88/752813588.db2.gz NUXRLERBRVTMPG-UHFFFAOYSA-N 1 2 342.403 0.498 20 30 ECEDLO CCn1ncnc1C[N@@H+]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001028491210 752833455 /nfs/dbraw/zinc/83/34/55/752833455.db2.gz UAVXJXSENJVKDZ-GFCCVEGCSA-N 1 2 327.392 0.750 20 30 ECEDLO CCn1ncnc1C[N@H+]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001028491210 752833461 /nfs/dbraw/zinc/83/34/61/752833461.db2.gz UAVXJXSENJVKDZ-GFCCVEGCSA-N 1 2 327.392 0.750 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@]12CCC[C@H]1CN(C(=O)C#CC1CC1)C2 ZINC001007846835 752985491 /nfs/dbraw/zinc/98/54/91/752985491.db2.gz GJVOUSQGWBZHDV-KXBFYZLASA-N 1 2 340.427 0.873 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2nnnn2C)C1 ZINC001028549464 753111492 /nfs/dbraw/zinc/11/14/92/753111492.db2.gz QWIMIYAXQRWDKJ-MCIONIFRSA-N 1 2 334.424 0.129 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2nnnn2C)C1 ZINC001028549464 753111495 /nfs/dbraw/zinc/11/14/95/753111495.db2.gz QWIMIYAXQRWDKJ-MCIONIFRSA-N 1 2 334.424 0.129 20 30 ECEDLO CC(C)Cc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n1 ZINC001051494853 762206755 /nfs/dbraw/zinc/20/67/55/762206755.db2.gz OCTAPCGKEQXOEL-QWHCGFSZSA-N 1 2 335.408 0.745 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)[C@@H]1C ZINC001088623554 753384730 /nfs/dbraw/zinc/38/47/30/753384730.db2.gz GZNGWTKCQVYFRV-OLZOCXBDSA-N 1 2 344.419 0.489 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)[C@@H]1C ZINC001088623554 753384733 /nfs/dbraw/zinc/38/47/33/753384733.db2.gz GZNGWTKCQVYFRV-OLZOCXBDSA-N 1 2 344.419 0.489 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C)cn1 ZINC000989163382 753410660 /nfs/dbraw/zinc/41/06/60/753410660.db2.gz FQMGSOVAYFJPKM-CJNGLKHVSA-N 1 2 337.383 0.679 20 30 ECEDLO C=C(C)CCC(=O)N1CC[C@@H](n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001098680717 753582151 /nfs/dbraw/zinc/58/21/51/753582151.db2.gz IHTJHPFCWIIAGP-TZMCWYRMSA-N 1 2 334.424 0.371 20 30 ECEDLO Cc1cnn(CC(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)c1 ZINC001083359107 753670339 /nfs/dbraw/zinc/67/03/39/753670339.db2.gz PTXBWAWLEKDQKC-MSOLQXFVSA-N 1 2 338.411 0.405 20 30 ECEDLO Cc1cnn(CC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)c1 ZINC001083359107 753670342 /nfs/dbraw/zinc/67/03/42/753670342.db2.gz PTXBWAWLEKDQKC-MSOLQXFVSA-N 1 2 338.411 0.405 20 30 ECEDLO CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001105493972 753738307 /nfs/dbraw/zinc/73/83/07/753738307.db2.gz QBGCCWOPGOBJCV-ZDUSSCGKSA-N 1 2 339.403 0.702 20 30 ECEDLO CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001105494460 753739361 /nfs/dbraw/zinc/73/93/61/753739361.db2.gz TUXZUPYEMHPMSI-ZDUSSCGKSA-N 1 2 339.403 0.702 20 30 ECEDLO CC1(C)CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001008505177 753827994 /nfs/dbraw/zinc/82/79/94/753827994.db2.gz LJNBLHCPSNKNMX-CYBMUJFWSA-N 1 2 340.387 0.819 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)nc1 ZINC001014101305 762249356 /nfs/dbraw/zinc/24/93/56/762249356.db2.gz WMKDYGRLFDZMLR-DOMZBBRYSA-N 1 2 337.383 0.748 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3[nH]nc4ccccc43)C2)nn1 ZINC001105376899 754063606 /nfs/dbraw/zinc/06/36/06/754063606.db2.gz KIFFJKPPFUYFGE-UHFFFAOYSA-N 1 2 349.398 0.503 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](Nc2ccc(C#N)nn2)C1 ZINC001059088136 754594721 /nfs/dbraw/zinc/59/47/21/754594721.db2.gz PXDZRMVAHZFLEI-YPMHNXCESA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](Nc2ccc(C#N)nn2)C1 ZINC001059088136 754594724 /nfs/dbraw/zinc/59/47/24/754594724.db2.gz PXDZRMVAHZFLEI-YPMHNXCESA-N 1 2 325.376 0.963 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001009257514 754714993 /nfs/dbraw/zinc/71/49/93/754714993.db2.gz DWKZOEVMPXCRCC-ZIAGYGMSSA-N 1 2 344.415 0.422 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001009257514 754714998 /nfs/dbraw/zinc/71/49/98/754714998.db2.gz DWKZOEVMPXCRCC-ZIAGYGMSSA-N 1 2 344.415 0.422 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2nc(N(C)C)no2)C1 ZINC001028809050 755197954 /nfs/dbraw/zinc/19/79/54/755197954.db2.gz JXJVPOQFEDXWDE-MJBXVCDLSA-N 1 2 349.435 0.665 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2nc(N(C)C)no2)C1 ZINC001028809050 755197957 /nfs/dbraw/zinc/19/79/57/755197957.db2.gz JXJVPOQFEDXWDE-MJBXVCDLSA-N 1 2 349.435 0.665 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3cn(CC)nn3)C2)nn1 ZINC001028853565 755313304 /nfs/dbraw/zinc/31/33/04/755313304.db2.gz WBVFNTWODZYYPA-ZDUSSCGKSA-N 1 2 344.423 0.327 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3cn(CC)nn3)C2)nn1 ZINC001028853565 755313305 /nfs/dbraw/zinc/31/33/05/755313305.db2.gz WBVFNTWODZYYPA-ZDUSSCGKSA-N 1 2 344.423 0.327 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cc[nH]c(=O)c3)C2)nn1 ZINC001098657508 755715042 /nfs/dbraw/zinc/71/50/42/755715042.db2.gz WLEHHDHKHCKHAY-AWEZNQCLSA-N 1 2 326.360 0.189 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)c(C)cn2)[C@H](OC)C1 ZINC001213198895 755855397 /nfs/dbraw/zinc/85/53/97/755855397.db2.gz IJQQMPHTQFXSRU-IAGOWNOFSA-N 1 2 331.416 0.777 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)c(C)cn2)[C@H](OC)C1 ZINC001213198895 755855402 /nfs/dbraw/zinc/85/54/02/755855402.db2.gz IJQQMPHTQFXSRU-IAGOWNOFSA-N 1 2 331.416 0.777 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC000991646063 762427651 /nfs/dbraw/zinc/42/76/51/762427651.db2.gz NOXHCJRPDVOFBX-ZFWWWQNUSA-N 1 2 348.447 0.941 20 30 ECEDLO C[C@H]1C[C@H](CNC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001010283415 755939250 /nfs/dbraw/zinc/93/92/50/755939250.db2.gz ZKPRLWOKKANWOV-NWDGAFQWSA-N 1 2 340.387 0.819 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)[C@@H]2C1 ZINC001076124880 756114534 /nfs/dbraw/zinc/11/45/34/756114534.db2.gz VLICESWQBQSQLP-SDDRHHMPSA-N 1 2 342.237 0.564 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)[C@@H]2C1 ZINC001076124880 756114537 /nfs/dbraw/zinc/11/45/37/756114537.db2.gz VLICESWQBQSQLP-SDDRHHMPSA-N 1 2 342.237 0.564 20 30 ECEDLO CC(C)Cc1noc(C[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC001051608452 762456448 /nfs/dbraw/zinc/45/64/48/762456448.db2.gz CIPSFKNRZNYQJU-HNNXBMFYSA-N 1 2 346.431 0.999 20 30 ECEDLO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)o3)[C@@H]2C1 ZINC001076313091 756357168 /nfs/dbraw/zinc/35/71/68/756357168.db2.gz JSRAMXGDMCXIQI-QWHCGFSZSA-N 1 2 336.413 0.853 20 30 ECEDLO C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)o3)[C@@H]2C1 ZINC001076313091 756357170 /nfs/dbraw/zinc/35/71/70/756357170.db2.gz JSRAMXGDMCXIQI-QWHCGFSZSA-N 1 2 336.413 0.853 20 30 ECEDLO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)[C@@H]2C1 ZINC001076370418 756430687 /nfs/dbraw/zinc/43/06/87/756430687.db2.gz UZNGVSUUQPRCAE-GXTWGEPZSA-N 1 2 342.403 0.180 20 30 ECEDLO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)[C@@H]2C1 ZINC001076370418 756430691 /nfs/dbraw/zinc/43/06/91/756430691.db2.gz UZNGVSUUQPRCAE-GXTWGEPZSA-N 1 2 342.403 0.180 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)C(C)(C)C)CC1 ZINC001010747958 756476185 /nfs/dbraw/zinc/47/61/85/756476185.db2.gz URCUNZIKDIPNMF-AWEZNQCLSA-N 1 2 333.432 0.370 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)C(C)(C)C)CC1 ZINC001010747958 756476188 /nfs/dbraw/zinc/47/61/88/756476188.db2.gz URCUNZIKDIPNMF-AWEZNQCLSA-N 1 2 333.432 0.370 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@@H](n2cc(C[NH2+]CC#CC)nn2)C1 ZINC001098663909 756642464 /nfs/dbraw/zinc/64/24/64/756642464.db2.gz KYNOWXSCCGGECC-NVXWUHKLSA-N 1 2 331.420 0.492 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3nccn3CC)C2)nn1 ZINC001098665373 756796189 /nfs/dbraw/zinc/79/61/89/756796189.db2.gz WUHTVSIBLVFUBN-CQSZACIVSA-N 1 2 327.392 0.305 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC001014331034 762500835 /nfs/dbraw/zinc/50/08/35/762500835.db2.gz RXBOILQIFVEHEC-QAPCUYQASA-N 1 2 326.400 0.936 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001048769935 756942064 /nfs/dbraw/zinc/94/20/64/756942064.db2.gz WEARBQZUZJXKJF-SUNYJGFJSA-N 1 2 348.447 0.975 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)OCC3CC3)nn2)C1 ZINC001107140957 756950640 /nfs/dbraw/zinc/95/06/40/756950640.db2.gz GKZPTSVWCVANIQ-ZDUSSCGKSA-N 1 2 331.420 0.589 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)OCC(C)C)nn2)C1 ZINC001107140704 756963109 /nfs/dbraw/zinc/96/31/09/756963109.db2.gz ROMWHBZFVPMOFG-CQSZACIVSA-N 1 2 333.436 0.835 20 30 ECEDLO N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]c[nH]2)c[nH]1 ZINC000996124278 756994697 /nfs/dbraw/zinc/99/46/97/756994697.db2.gz ZIOAFCDQYQDLMS-ILXRZTDVSA-N 1 2 338.371 0.714 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)COCC=C)nn2)C1 ZINC001107146436 757039911 /nfs/dbraw/zinc/03/99/11/757039911.db2.gz JOFRDMHLEPGFGK-UHFFFAOYSA-N 1 2 335.408 0.156 20 30 ECEDLO O=C(C[N@H+]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1)Nc1nccs1 ZINC001048810602 757067570 /nfs/dbraw/zinc/06/75/70/757067570.db2.gz QHGMZVSOFSCBOA-OKILXGFUSA-N 1 2 344.440 0.885 20 30 ECEDLO O=C(C[N@@H+]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1)Nc1nccs1 ZINC001048810602 757067577 /nfs/dbraw/zinc/06/75/77/757067577.db2.gz QHGMZVSOFSCBOA-OKILXGFUSA-N 1 2 344.440 0.885 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC/C=C/CNc1[nH+]cnc2c1cnn2C ZINC001107148579 757082554 /nfs/dbraw/zinc/08/25/54/757082554.db2.gz MJPWTFVHAJWMBS-SQRWCISFSA-N 1 2 330.392 0.775 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)[C@@H]1CCCOC1 ZINC001076793128 757188523 /nfs/dbraw/zinc/18/85/23/757188523.db2.gz BNJXWMLXKZJZJM-KZNAEPCWSA-N 1 2 328.412 0.626 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)[C@@H]1CCCOC1 ZINC001076793128 757188530 /nfs/dbraw/zinc/18/85/30/757188530.db2.gz BNJXWMLXKZJZJM-KZNAEPCWSA-N 1 2 328.412 0.626 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC001011219517 757212731 /nfs/dbraw/zinc/21/27/31/757212731.db2.gz JEVAROLMLTYKHK-INIZCTEOSA-N 1 2 349.475 0.980 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCOCC(F)F)nn2)C1 ZINC001107173022 757276261 /nfs/dbraw/zinc/27/62/61/757276261.db2.gz XRPBVRPKLBFSIA-UHFFFAOYSA-N 1 2 341.362 0.446 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)Cc3cn(C)nc3C)nn2)C1 ZINC001107179575 757295396 /nfs/dbraw/zinc/29/53/96/757295396.db2.gz MXFSJRLXNCBHKS-UHFFFAOYSA-N 1 2 341.419 0.059 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)Cc3cncs3)nn2)C1 ZINC001107180474 757300559 /nfs/dbraw/zinc/30/05/59/757300559.db2.gz TYYBNSFROIFJOH-UHFFFAOYSA-N 1 2 330.417 0.474 20 30 ECEDLO C=CCC(CC=C)C(=O)N(C)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001048894286 757320138 /nfs/dbraw/zinc/32/01/38/757320138.db2.gz ZIJCDTVFDHCGIK-HOTGVXAUSA-N 1 2 346.431 0.751 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCn3ccccc3=O)nn2)C1 ZINC001107178097 757330880 /nfs/dbraw/zinc/33/08/80/757330880.db2.gz HGPBAPBYIRFAON-UHFFFAOYSA-N 1 2 342.403 0.189 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C3(COC)CCCC3)nn2)C1 ZINC001107178298 757332897 /nfs/dbraw/zinc/33/28/97/757332897.db2.gz QWQZZQYOOZUJKP-UHFFFAOYSA-N 1 2 345.447 0.981 20 30 ECEDLO C[C@@H](C#N)C(=O)N[C@@H](C)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001076859859 757380686 /nfs/dbraw/zinc/38/06/86/757380686.db2.gz FAZQMSHQQGBFDG-STQMWFEESA-N 1 2 331.420 0.933 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C3(COCC)CC3)nn2)C1 ZINC001107183692 757390771 /nfs/dbraw/zinc/39/07/71/757390771.db2.gz RGJQTCFTWDQVSC-UHFFFAOYSA-N 1 2 331.420 0.591 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)Cc3cc(C)nn3C)nn2)C1 ZINC001107184698 757416714 /nfs/dbraw/zinc/41/67/14/757416714.db2.gz RYEVWJCWVGCATA-UHFFFAOYSA-N 1 2 341.419 0.059 20 30 ECEDLO C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1O ZINC001048937922 757464735 /nfs/dbraw/zinc/46/47/35/757464735.db2.gz YQXVQPCEUQJSQX-GJZGRUSLSA-N 1 2 334.420 0.349 20 30 ECEDLO COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001076896845 757512819 /nfs/dbraw/zinc/51/28/19/757512819.db2.gz AARQLQSFVLIDGN-HUUCEWRRSA-N 1 2 341.371 0.265 20 30 ECEDLO COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001076896845 757512824 /nfs/dbraw/zinc/51/28/24/757512824.db2.gz AARQLQSFVLIDGN-HUUCEWRRSA-N 1 2 341.371 0.265 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3nnc(C)o3)C(C)(C)C2)nn1 ZINC000996388683 757517710 /nfs/dbraw/zinc/51/77/10/757517710.db2.gz KQEBBLWNALYUFP-ZDUSSCGKSA-N 1 2 345.407 0.796 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)c[nH]1 ZINC001076907325 757563109 /nfs/dbraw/zinc/56/31/09/757563109.db2.gz KPFSVCORFGODRP-QZTJIDSGSA-N 1 2 334.379 0.713 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)c[nH]1 ZINC001076907325 757563118 /nfs/dbraw/zinc/56/31/18/757563118.db2.gz KPFSVCORFGODRP-QZTJIDSGSA-N 1 2 334.379 0.713 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCc3cncs3)nn2)C1 ZINC001107211649 757701484 /nfs/dbraw/zinc/70/14/84/757701484.db2.gz VOVCGHGVIFDQIL-UHFFFAOYSA-N 1 2 344.444 0.864 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1c1cncc(C#N)n1 ZINC001049022545 757721802 /nfs/dbraw/zinc/72/18/02/757721802.db2.gz UMOKNQMAJFETHA-UONOGXRCSA-N 1 2 325.376 0.788 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001049035474 757751371 /nfs/dbraw/zinc/75/13/71/757751371.db2.gz VOBHCPIERZPYPG-ILXRZTDVSA-N 1 2 334.420 0.516 20 30 ECEDLO C=CCC[NH+]1CC(n2cc(CNC(=O)CCc3cn[nH]n3)nn2)C1 ZINC001107213752 757775951 /nfs/dbraw/zinc/77/59/51/757775951.db2.gz HWUOEFWDHAVENB-UHFFFAOYSA-N 1 2 330.396 0.078 20 30 ECEDLO C=CCC[NH+]1CC(n2cc(CNC(=O)CCc3c[nH]nn3)nn2)C1 ZINC001107213752 757775956 /nfs/dbraw/zinc/77/59/56/757775956.db2.gz HWUOEFWDHAVENB-UHFFFAOYSA-N 1 2 330.396 0.078 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)Cn3ccc(C)cc3=O)nn2)C1 ZINC001107215380 757792042 /nfs/dbraw/zinc/79/20/42/757792042.db2.gz FIXZJLVDKBMQJS-UHFFFAOYSA-N 1 2 342.403 0.107 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H](C)OCCOC)nn2)C1 ZINC001107217594 757824674 /nfs/dbraw/zinc/82/46/74/757824674.db2.gz QWLPPHHRVRAHGP-ZDUSSCGKSA-N 1 2 337.424 0.379 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3CC)C[C@@H]2C1 ZINC001049069443 757871072 /nfs/dbraw/zinc/87/10/72/757871072.db2.gz HMKOOEVCPXHTFU-QXSJWSMHSA-N 1 2 345.447 0.779 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3CC)C[C@@H]2C1 ZINC001049069443 757871079 /nfs/dbraw/zinc/87/10/79/757871079.db2.gz HMKOOEVCPXHTFU-QXSJWSMHSA-N 1 2 345.447 0.779 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C[C@@H](C)N3CCCC3=O)nn2)C1 ZINC001107227015 757886299 /nfs/dbraw/zinc/88/62/99/757886299.db2.gz ANXGBVMUIOQIAO-CYBMUJFWSA-N 1 2 346.435 0.338 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@]3(C)CCOC3)nn2)C1 ZINC001107222240 757888529 /nfs/dbraw/zinc/88/85/29/757888529.db2.gz KQNKFVLGBQVZLJ-KRWDZBQOSA-N 1 2 349.435 0.380 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)Cc3cnn(CC)c3)nn2)C1 ZINC001107227874 757981868 /nfs/dbraw/zinc/98/18/68/757981868.db2.gz SWZMRTIGZLJWCR-UHFFFAOYSA-N 1 2 329.408 0.396 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)COC[C@@H]3CCCO3)nn2)C1 ZINC001107242002 757997854 /nfs/dbraw/zinc/99/78/54/757997854.db2.gz LQDKLGWLVBGTPZ-INIZCTEOSA-N 1 2 349.435 0.523 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](C)C3CCOCC3)nn2)C1 ZINC001107242031 757999938 /nfs/dbraw/zinc/99/99/38/757999938.db2.gz NGSWRTBWJZGQCN-CYBMUJFWSA-N 1 2 333.436 1.000 20 30 ECEDLO C=CCO[C@@H](C)C(=O)NC/C=C\CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001107235478 758023619 /nfs/dbraw/zinc/02/36/19/758023619.db2.gz IQXUXLKNWQHNLP-KRZKBDHCSA-N 1 2 334.424 0.921 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1C ZINC001011624965 758160662 /nfs/dbraw/zinc/16/06/62/758160662.db2.gz WVIMTISTZGNYEN-DGCLKSJQSA-N 1 2 340.387 0.880 20 30 ECEDLO C[C@@H](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)NC(=O)C#CC1CC1 ZINC001077114220 758219210 /nfs/dbraw/zinc/21/92/10/758219210.db2.gz KSVIHYPNOAIVED-DZGCQCFKSA-N 1 2 328.416 0.870 20 30 ECEDLO C[C@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001011662930 758239912 /nfs/dbraw/zinc/23/99/12/758239912.db2.gz ZAMNYCWTHCCFTN-SMDDNHRTSA-N 1 2 340.387 0.582 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001011701907 758352972 /nfs/dbraw/zinc/35/29/72/758352972.db2.gz LWRHFLNJGJIBFA-FZMZJTMJSA-N 1 2 340.387 0.961 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC/C=C/CNc1[nH+]cnc2c1cnn2C ZINC001107346076 758357980 /nfs/dbraw/zinc/35/79/80/758357980.db2.gz LURFBQOECRIJRS-BTDICHCPSA-N 1 2 328.376 0.486 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cncs3)C2)s1 ZINC001077180838 758456756 /nfs/dbraw/zinc/45/67/56/758456756.db2.gz SGPIFHARWJIRGQ-ZIAGYGMSSA-N 1 2 348.453 0.980 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cncs3)C2)s1 ZINC001077180838 758456762 /nfs/dbraw/zinc/45/67/62/758456762.db2.gz SGPIFHARWJIRGQ-ZIAGYGMSSA-N 1 2 348.453 0.980 20 30 ECEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)CNC(=O)OC)CC2)C1 ZINC001105691148 758484700 /nfs/dbraw/zinc/48/47/00/758484700.db2.gz KJBYWNWKUXCTOV-UHFFFAOYSA-N 1 2 325.409 0.610 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H]2C)nn1 ZINC001011772725 758540403 /nfs/dbraw/zinc/54/04/03/758540403.db2.gz QVSYUBWOSYBEPR-DGCLKSJQSA-N 1 2 343.391 0.149 20 30 ECEDLO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127772178 758547361 /nfs/dbraw/zinc/54/73/61/758547361.db2.gz DYYHOTKPADXUGH-JTQLQIEISA-N 1 2 326.294 0.355 20 30 ECEDLO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@H](F)C(F)(F)F ZINC001127772178 758547372 /nfs/dbraw/zinc/54/73/72/758547372.db2.gz DYYHOTKPADXUGH-JTQLQIEISA-N 1 2 326.294 0.355 20 30 ECEDLO Cn1ncc(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)c2ccc(C#N)[nH]2)n1 ZINC001049424251 758668261 /nfs/dbraw/zinc/66/82/61/758668261.db2.gz BGJNFLHZRBFVJM-HZPDHXFCSA-N 1 2 339.403 0.894 20 30 ECEDLO Cn1ncc(C[N@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)c2ccc(C#N)[nH]2)n1 ZINC001049424251 758668264 /nfs/dbraw/zinc/66/82/64/758668264.db2.gz BGJNFLHZRBFVJM-HZPDHXFCSA-N 1 2 339.403 0.894 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001011829692 758686357 /nfs/dbraw/zinc/68/63/57/758686357.db2.gz FWOZAYHEATXUNN-XHDPSFHLSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001011829692 758686363 /nfs/dbraw/zinc/68/63/63/758686363.db2.gz FWOZAYHEATXUNN-XHDPSFHLSA-N 1 2 340.387 0.961 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@H]2C)cn1 ZINC001011855210 758772626 /nfs/dbraw/zinc/77/26/26/758772626.db2.gz FQMGSOVAYFJPKM-XJKSGUPXSA-N 1 2 337.383 0.679 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001049581456 758958115 /nfs/dbraw/zinc/95/81/15/758958115.db2.gz HVQYCSKELNYDLC-OWCLPIDISA-N 1 2 338.473 0.900 20 30 ECEDLO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001049581456 758958121 /nfs/dbraw/zinc/95/81/21/758958121.db2.gz HVQYCSKELNYDLC-OWCLPIDISA-N 1 2 338.473 0.900 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)Cc3ccccc3)[C@@H](O)C2)C1=O ZINC001083576320 759006128 /nfs/dbraw/zinc/00/61/28/759006128.db2.gz SFGPZAFGHWDPPU-ZACQAIPSSA-N 1 2 343.427 0.177 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)Cc3ccccc3)[C@@H](O)C2)C1=O ZINC001083576320 759006139 /nfs/dbraw/zinc/00/61/39/759006139.db2.gz SFGPZAFGHWDPPU-ZACQAIPSSA-N 1 2 343.427 0.177 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001011978053 759107806 /nfs/dbraw/zinc/10/78/06/759107806.db2.gz QNRWBIVBQUUJNK-CABCVRRESA-N 1 2 346.431 0.615 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(N3CCCC3)ccn2)[C@@H](O)C1 ZINC001083614201 759308835 /nfs/dbraw/zinc/30/88/35/759308835.db2.gz JULTZHFUVWPFAE-SJORKVTESA-N 1 2 328.416 0.480 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(N3CCCC3)ccn2)[C@@H](O)C1 ZINC001083614201 759308843 /nfs/dbraw/zinc/30/88/43/759308843.db2.gz JULTZHFUVWPFAE-SJORKVTESA-N 1 2 328.416 0.480 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3onc(CC)c3c2)C1 ZINC001047640448 759382848 /nfs/dbraw/zinc/38/28/48/759382848.db2.gz PPDITQMVUZZVHA-GJZGRUSLSA-N 1 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/nfs/dbraw/zinc/81/47/18/759814718.db2.gz PWBIIZXBQPBTDJ-UHFFFAOYSA-N 1 2 349.394 0.914 20 30 ECEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCN(C)S3(=O)=O)cc2C1 ZINC001054285320 767894666 /nfs/dbraw/zinc/89/46/66/767894666.db2.gz CXBDQPKZKCJKSA-INIZCTEOSA-N 1 2 347.440 0.286 20 30 ECEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCN(C)S3(=O)=O)cc2C1 ZINC001054285320 767894673 /nfs/dbraw/zinc/89/46/73/767894673.db2.gz CXBDQPKZKCJKSA-INIZCTEOSA-N 1 2 347.440 0.286 20 30 ECEDLO C#CC[N@@H+]1CC[C@@]2(NC(=O)C3CC4(C3)CS(=O)(=O)C4)CCC[C@H]12 ZINC000991358210 760466579 /nfs/dbraw/zinc/46/65/79/760466579.db2.gz HUMYIHSHRQRRTA-YOEHRIQHSA-N 1 2 336.457 0.558 20 30 ECEDLO C#CC[N@H+]1CC[C@@]2(NC(=O)C3CC4(C3)CS(=O)(=O)C4)CCC[C@H]12 ZINC000991358210 760466585 /nfs/dbraw/zinc/46/65/85/760466585.db2.gz HUMYIHSHRQRRTA-YOEHRIQHSA-N 1 2 336.457 0.558 20 30 ECEDLO C[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2CNc2ccncc2C#N)C1 ZINC001060225490 760489952 /nfs/dbraw/zinc/48/99/52/760489952.db2.gz SOQSVEOSDQIZAH-NVXWUHKLSA-N 1 2 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/nfs/dbraw/zinc/98/09/11/760980911.db2.gz MXLKHRYMSHJWGD-GJZGRUSLSA-N 1 2 346.431 0.566 20 30 ECEDLO CN1CCC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2cc(C#N)c[nH]2)C1=O ZINC001017454535 768001978 /nfs/dbraw/zinc/00/19/78/768001978.db2.gz IWTPKQUMNWHQJK-IJEWVQPXSA-N 1 2 341.415 0.796 20 30 ECEDLO CN1CCC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2cc(C#N)c[nH]2)C1=O ZINC001017454535 768001985 /nfs/dbraw/zinc/00/19/85/768001985.db2.gz IWTPKQUMNWHQJK-IJEWVQPXSA-N 1 2 341.415 0.796 20 30 ECEDLO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1O ZINC001048757521 761122577 /nfs/dbraw/zinc/12/25/77/761122577.db2.gz HRWPHSFBLQFNOJ-GJZGRUSLSA-N 1 2 346.431 0.186 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1nc(OC)cc(OC)n1 ZINC001050979875 761266533 /nfs/dbraw/zinc/26/65/33/761266533.db2.gz DASXGQAFBPYTMQ-LBPRGKRZSA-N 1 2 336.392 0.501 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1nc(OC)cc(OC)n1 ZINC001050979875 761266536 /nfs/dbraw/zinc/26/65/36/761266536.db2.gz DASXGQAFBPYTMQ-LBPRGKRZSA-N 1 2 336.392 0.501 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)Cc1c[nH+]cn1C ZINC001013329783 761313828 /nfs/dbraw/zinc/31/38/28/761313828.db2.gz WMQAMIHCHPFVLQ-DGCLKSJQSA-N 1 2 340.387 0.582 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cncc(-n2ccnn2)c1 ZINC001051046335 761388012 /nfs/dbraw/zinc/38/80/12/761388012.db2.gz MOCQEKPDKFNSEV-MRXNPFEDSA-N 1 2 342.403 0.669 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cncc(-n2ccnn2)c1 ZINC001051046335 761388018 /nfs/dbraw/zinc/38/80/18/761388018.db2.gz MOCQEKPDKFNSEV-MRXNPFEDSA-N 1 2 342.403 0.669 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)nc1 ZINC001013470853 761458674 /nfs/dbraw/zinc/45/86/74/761458674.db2.gz RHMYCAIJMHCAFI-GXTWGEPZSA-N 1 2 337.383 0.748 20 30 ECEDLO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#N)[nH]1 ZINC001017484184 768051672 /nfs/dbraw/zinc/05/16/72/768051672.db2.gz ZNGPVBBNGIPXAS-BNOWGMLFSA-N 1 2 329.404 0.652 20 30 ECEDLO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#N)[nH]1 ZINC001017484184 768051679 /nfs/dbraw/zinc/05/16/79/768051679.db2.gz ZNGPVBBNGIPXAS-BNOWGMLFSA-N 1 2 329.404 0.652 20 30 ECEDLO C#CCCN1CCOC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001051207724 761690212 /nfs/dbraw/zinc/69/02/12/761690212.db2.gz VKRNUPVBBRVINR-INIZCTEOSA-N 1 2 339.399 0.721 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC001051211262 761697786 /nfs/dbraw/zinc/69/77/86/761697786.db2.gz BCOBBCFFUQCAND-ZDUSSCGKSA-N 1 2 343.383 0.577 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC001051211262 761697792 /nfs/dbraw/zinc/69/77/92/761697792.db2.gz BCOBBCFFUQCAND-ZDUSSCGKSA-N 1 2 343.383 0.577 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccnc(-n2cncn2)c1 ZINC001051268224 761796620 /nfs/dbraw/zinc/79/66/20/761796620.db2.gz HMWVPLBWWPHQPP-HNNXBMFYSA-N 1 2 342.403 0.669 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccnc(-n2cncn2)c1 ZINC001051268224 761796626 /nfs/dbraw/zinc/79/66/26/761796626.db2.gz HMWVPLBWWPHQPP-HNNXBMFYSA-N 1 2 342.403 0.669 20 30 ECEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2COC(=O)N2)c1 ZINC001017518535 768079628 /nfs/dbraw/zinc/07/96/28/768079628.db2.gz GZEBRGZXRIGGNA-XHSDSOJGSA-N 1 2 340.383 0.842 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2COC(=O)N2)c1 ZINC001017518535 768079632 /nfs/dbraw/zinc/07/96/32/768079632.db2.gz GZEBRGZXRIGGNA-XHSDSOJGSA-N 1 2 340.383 0.842 20 30 ECEDLO O=C(C#CC1CC1)N1[C@@H]2CC[C@H]1C[N@@H+](CCN1C(=O)CCC1=O)C2 ZINC001017535799 768092103 /nfs/dbraw/zinc/09/21/03/768092103.db2.gz PAIKLYGAYOLDEH-GASCZTMLSA-N 1 2 329.400 0.224 20 30 ECEDLO O=C(C#CC1CC1)N1[C@@H]2CC[C@H]1C[N@H+](CCN1C(=O)CCC1=O)C2 ZINC001017535799 768092111 /nfs/dbraw/zinc/09/21/11/768092111.db2.gz PAIKLYGAYOLDEH-GASCZTMLSA-N 1 2 329.400 0.224 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001046772764 763099230 /nfs/dbraw/zinc/09/92/30/763099230.db2.gz WRUCIWFCDUFYHJ-AWEZNQCLSA-N 1 2 342.783 0.843 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001046772764 763099236 /nfs/dbraw/zinc/09/92/36/763099236.db2.gz WRUCIWFCDUFYHJ-AWEZNQCLSA-N 1 2 342.783 0.843 20 30 ECEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]2O)CC1 ZINC000991746889 763159318 /nfs/dbraw/zinc/15/93/18/763159318.db2.gz DUKACIRZTWCDDS-JKSUJKDBSA-N 1 2 346.431 0.708 20 30 ECEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001031876169 763227532 /nfs/dbraw/zinc/22/75/32/763227532.db2.gz MYPZNIDOMOZOBE-LBPRGKRZSA-N 1 2 337.798 0.753 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001014854417 763307322 /nfs/dbraw/zinc/30/73/22/763307322.db2.gz XUYZZFGAAMBTSH-BXUZGUMPSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001014878913 763356743 /nfs/dbraw/zinc/35/67/43/763356743.db2.gz CQESWOOEWZNMSI-XHDPSFHLSA-N 1 2 340.387 0.961 20 30 ECEDLO CN1C[C@H](C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)NC1=O ZINC001031901849 763467928 /nfs/dbraw/zinc/46/79/28/763467928.db2.gz CKFONCMDMXNFBG-OAHLLOKOSA-N 1 2 345.378 0.269 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(Cc3cnsn3)CC2)C1 ZINC001051997532 763547458 /nfs/dbraw/zinc/54/74/58/763547458.db2.gz CWEGXWLSFDIXHB-TZMCWYRMSA-N 1 2 334.449 0.416 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(Cc3ncccn3)CC2)C1 ZINC001051997545 763547674 /nfs/dbraw/zinc/54/76/74/763547674.db2.gz DCUSNGSXLIIYLM-HUUCEWRRSA-N 1 2 328.420 0.355 20 30 ECEDLO CCn1ccnc1CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001051997883 763548601 /nfs/dbraw/zinc/54/86/01/763548601.db2.gz JRLQKUYKTQQSBG-HOTGVXAUSA-N 1 2 344.463 0.781 20 30 ECEDLO Cc1ncc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)cn1 ZINC001051997904 763549019 /nfs/dbraw/zinc/54/90/19/763549019.db2.gz KNIJWKGUBIMYAJ-PBHICJAKSA-N 1 2 342.447 0.663 20 30 ECEDLO Cc1conc1CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001051998123 763550387 /nfs/dbraw/zinc/55/03/87/763550387.db2.gz NNASMLVXEKVTJP-DZGCQCFKSA-N 1 2 331.420 0.861 20 30 ECEDLO COc1cc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)on1 ZINC001051998378 763551539 /nfs/dbraw/zinc/55/15/39/763551539.db2.gz SEIZOEKMQPPIEK-KBPBESRZSA-N 1 2 347.419 0.561 20 30 ECEDLO Cc1ncoc1C[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001051998699 763552927 /nfs/dbraw/zinc/55/29/27/763552927.db2.gz YKHURLPYPZRRPN-ZFWWWQNUSA-N 1 2 331.420 0.861 20 30 ECEDLO Cc1ncoc1CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001051998699 763552933 /nfs/dbraw/zinc/55/29/33/763552933.db2.gz YKHURLPYPZRRPN-ZFWWWQNUSA-N 1 2 331.420 0.861 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3cc(C)on3)C2)CC1 ZINC001051999156 763554272 /nfs/dbraw/zinc/55/42/72/763554272.db2.gz FTDLNJWPFCKWBN-QGZVFWFLSA-N 1 2 330.432 0.767 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3cncnc3)C2)CC1 ZINC001052019765 763601698 /nfs/dbraw/zinc/60/16/98/763601698.db2.gz ARJVEEXYPWNDQK-KRWDZBQOSA-N 1 2 327.432 0.261 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3nnc(C)o3)C2)CC1 ZINC001052022199 763607043 /nfs/dbraw/zinc/60/70/43/763607043.db2.gz JJEYSPCUXURZGH-HNNXBMFYSA-N 1 2 331.420 0.162 20 30 ECEDLO C[C@H](C(=O)N(C)C)[NH+]1CCN([C@@H]2CCN(C(=O)C#CC3CC3)C2)CC1 ZINC001052025515 763616444 /nfs/dbraw/zinc/61/64/44/763616444.db2.gz GGMVJXCZLNTEEW-NVXWUHKLSA-N 1 2 346.475 0.095 20 30 ECEDLO C[C@H](C(=O)N(C)C)N1CC[NH+]([C@@H]2CCN(C(=O)C#CC3CC3)C2)CC1 ZINC001052025515 763616447 /nfs/dbraw/zinc/61/64/47/763616447.db2.gz GGMVJXCZLNTEEW-NVXWUHKLSA-N 1 2 346.475 0.095 20 30 ECEDLO Cn1ccc(CN2CC[NH+]([C@@H]3CCN(C(=O)C#CC4CC4)C3)CC2)n1 ZINC001052025684 763617758 /nfs/dbraw/zinc/61/77/58/763617758.db2.gz IYITZYPRYLYLNQ-GOSISDBHSA-N 1 2 341.459 0.552 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(Cl)cnn3C)C2)CC1 ZINC001052026151 763618668 /nfs/dbraw/zinc/61/86/68/763618668.db2.gz AVVWZXZGBHAEPU-CQSZACIVSA-N 1 2 349.866 0.929 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn(C4CCC4)nn3)C2)CC1 ZINC001052027710 763622321 /nfs/dbraw/zinc/62/23/21/763622321.db2.gz IZNKDXFCZYZJLS-MRXNPFEDSA-N 1 2 342.447 0.468 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn(C4CCC4)nn3)C2)CC1 ZINC001052027710 763622328 /nfs/dbraw/zinc/62/23/28/763622328.db2.gz IZNKDXFCZYZJLS-MRXNPFEDSA-N 1 2 342.447 0.468 20 30 ECEDLO Cn1cc(Cl)c(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052032155 763634173 /nfs/dbraw/zinc/63/41/73/763634173.db2.gz CTOSSNNJGDDTMM-LBPRGKRZSA-N 1 2 336.827 0.429 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3nn(C)cc3Cl)C2)CC1 ZINC001052032469 763635254 /nfs/dbraw/zinc/63/52/54/763635254.db2.gz GWYRSYFBMZXRIA-ZDUSSCGKSA-N 1 2 335.839 0.539 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3nn(C)cc3Cl)C2)CC1 ZINC001052032469 763635259 /nfs/dbraw/zinc/63/52/59/763635259.db2.gz GWYRSYFBMZXRIA-ZDUSSCGKSA-N 1 2 335.839 0.539 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(CC)C3)C2)CC1 ZINC001052035868 763644802 /nfs/dbraw/zinc/64/48/02/763644802.db2.gz SDOHGDURUPVICN-DLBZAZTESA-N 1 2 346.475 0.097 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3[nH]c(=O)[nH]c3C)C2)CC1 ZINC001052040653 763662416 /nfs/dbraw/zinc/66/24/16/763662416.db2.gz DCPUALWMZAQTJS-CQSZACIVSA-N 1 2 331.420 0.279 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)c3[nH]c(=O)[nH]c3C)C2)CC1 ZINC001052041495 763667769 /nfs/dbraw/zinc/66/77/69/763667769.db2.gz JKIBGVZQOQSUND-AWEZNQCLSA-N 1 2 333.436 0.832 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@]3(C)CCNC(=O)C3)C2)CC1 ZINC001052042340 763670891 /nfs/dbraw/zinc/67/08/91/763670891.db2.gz AYJIJKLEUYTZMA-QFBILLFUSA-N 1 2 346.475 0.145 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)C2)CC1 ZINC001052045681 763683453 /nfs/dbraw/zinc/68/34/53/763683453.db2.gz WJKBAWCFBWLCLP-IAGOWNOFSA-N 1 2 346.475 0.097 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cn4cccnc4n3)C2)CC1 ZINC001052048547 763696493 /nfs/dbraw/zinc/69/64/93/763696493.db2.gz XGRHXPNDNOQBNO-HNNXBMFYSA-N 1 2 338.415 0.195 20 30 ECEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)nc1 ZINC001106016090 763717716 /nfs/dbraw/zinc/71/77/16/763717716.db2.gz NSYDPMMWAGRPHQ-ZIAGYGMSSA-N 1 2 340.387 0.301 20 30 ECEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1CNC(=O)N1 ZINC001031945505 763724361 /nfs/dbraw/zinc/72/43/61/763724361.db2.gz XLDXJFHYTCEOQM-HNNXBMFYSA-N 1 2 346.818 0.421 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn(C)nc3OC)C2)CC1 ZINC001052061066 763743120 /nfs/dbraw/zinc/74/31/20/763743120.db2.gz ROYMJZIULWVZGE-AWEZNQCLSA-N 1 2 333.436 0.447 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(CC(=O)NC3CC3)CC2)C1 ZINC001052062649 763746960 /nfs/dbraw/zinc/74/69/60/763746960.db2.gz MMJLMXLKRMLNOJ-INIZCTEOSA-N 1 2 348.491 0.696 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H](N2CC[NH+]([C@@H]3CCCNC3=O)CC2)C1 ZINC001052062708 763747058 /nfs/dbraw/zinc/74/70/58/763747058.db2.gz MZXMKQVVSDGKAN-JKSUJKDBSA-N 1 2 348.491 0.696 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN([C@@H]3CCCNC3=O)CC2)C1 ZINC001052062708 763747059 /nfs/dbraw/zinc/74/70/59/763747059.db2.gz MZXMKQVVSDGKAN-JKSUJKDBSA-N 1 2 348.491 0.696 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCN(C)C3=O)C2)CC1 ZINC001052064881 763753030 /nfs/dbraw/zinc/75/30/30/763753030.db2.gz IJCGDPDXXCLZED-HZPDHXFCSA-N 1 2 334.464 0.259 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3c(C)nc[nH]c3=O)C2)CC1 ZINC001052068364 763761343 /nfs/dbraw/zinc/76/13/43/763761343.db2.gz GMXWSNPNJAJHFB-AWEZNQCLSA-N 1 2 331.420 0.509 20 30 ECEDLO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3c(C)nc[nH]c3=O)C2)CC1 ZINC001052068364 763761348 /nfs/dbraw/zinc/76/13/48/763761348.db2.gz GMXWSNPNJAJHFB-AWEZNQCLSA-N 1 2 331.420 0.509 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)c3c(C)nc[nH]c3=O)C2)CC1 ZINC001052069245 763764444 /nfs/dbraw/zinc/76/44/44/763764444.db2.gz VCZVNEOJQFQBMM-HNNXBMFYSA-N 1 2 345.447 0.899 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)COc3cnn(C)c3)C2)CC1 ZINC001052071123 763771178 /nfs/dbraw/zinc/77/11/78/763771178.db2.gz PLFNVRICAOITGV-MRXNPFEDSA-N 1 2 347.463 0.594 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccnc(OCC)c3)C2)CC1 ZINC001052080824 763796204 /nfs/dbraw/zinc/79/62/04/763796204.db2.gz HCAOFPQCUDOIIJ-QGZVFWFLSA-N 1 2 342.443 0.946 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn(CCC)c3)C2)CC1 ZINC001052089206 763824876 /nfs/dbraw/zinc/82/48/76/763824876.db2.gz PRVHHLWHCMJKPZ-QGZVFWFLSA-N 1 2 329.448 0.758 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](N2CC[NH+](CC#CC)CC2)C1 ZINC001052089589 763824953 /nfs/dbraw/zinc/82/49/53/763824953.db2.gz RMXLAMJKKRTOQM-KURKYZTESA-N 1 2 331.460 0.819 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc4nncn4c3)C2)CC1 ZINC001052097959 763851749 /nfs/dbraw/zinc/85/17/49/763851749.db2.gz ATBHMZTVHORBAG-OAHLLOKOSA-N 1 2 339.403 0.085 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)CCc3ncccn3)C2)CC1 ZINC001052099500 763857766 /nfs/dbraw/zinc/85/77/66/763857766.db2.gz KSKLNGGJJMKLGY-KRWDZBQOSA-N 1 2 341.459 0.651 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn(CC)c3C)C2)CC1 ZINC001052100749 763861757 /nfs/dbraw/zinc/86/17/57/763861757.db2.gz HRSZLSJUFSMGJK-INIZCTEOSA-N 1 2 329.448 0.677 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C(C)(C)c3cnn(C)c3)C2)CC1 ZINC001052102241 763867022 /nfs/dbraw/zinc/86/70/22/763867022.db2.gz YNQPWWKWNHJHGA-KRWDZBQOSA-N 1 2 343.475 0.549 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3cnccn3)C2)CC1 ZINC001052104909 763874025 /nfs/dbraw/zinc/87/40/25/763874025.db2.gz BEQMVMMVDMJZBF-GOSISDBHSA-N 1 2 341.459 0.651 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ncoc3C3CC3)C2)CC1 ZINC001052105484 763877327 /nfs/dbraw/zinc/87/73/27/763877327.db2.gz LLHDHRSKXNZVFS-CQSZACIVSA-N 1 2 329.404 0.908 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3ccoc3C)C2)C1=O ZINC001047297189 763914989 /nfs/dbraw/zinc/91/49/89/763914989.db2.gz IORZRHWYVFCYCV-JYJNAYRXSA-N 1 2 347.415 0.492 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3ccoc3C)C2)C1=O ZINC001047297189 763914992 /nfs/dbraw/zinc/91/49/92/763914992.db2.gz IORZRHWYVFCYCV-JYJNAYRXSA-N 1 2 347.415 0.492 20 30 ECEDLO CC(C)c1ncncc1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052118701 763933467 /nfs/dbraw/zinc/93/34/67/763933467.db2.gz UWTAODMJFAPOSE-OAHLLOKOSA-N 1 2 342.447 0.956 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](CC)N3CCCC3=O)C2)CC1 ZINC001052120125 763938169 /nfs/dbraw/zinc/93/81/69/763938169.db2.gz ZABOUUZIIJJNDQ-IAGOWNOFSA-N 1 2 346.475 0.239 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC34CCOCC4)C2)CC1 ZINC001052131686 763962983 /nfs/dbraw/zinc/96/29/83/763962983.db2.gz WZXZDWGIYLYLEB-IRXDYDNUSA-N 1 2 331.460 0.655 20 30 ECEDLO N#Cc1cnc(NC[C@@H](O)CNC(=O)CCn2cc[nH+]c2)c(Cl)c1 ZINC001106037405 764019386 /nfs/dbraw/zinc/01/93/86/764019386.db2.gz CHDFYPHUNOKZID-LBPRGKRZSA-N 1 2 348.794 0.782 20 30 ECEDLO C[C@@H](c1cnccn1)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001047338188 764046151 /nfs/dbraw/zinc/04/61/51/764046151.db2.gz RIIPZQCKSFGDLR-UVBJJODRSA-N 1 2 340.387 0.555 20 30 ECEDLO C[C@@H](c1cnccn1)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001047338188 764046154 /nfs/dbraw/zinc/04/61/54/764046154.db2.gz RIIPZQCKSFGDLR-UVBJJODRSA-N 1 2 340.387 0.555 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2conc2C)C[C@@H]1O ZINC001047385433 764181601 /nfs/dbraw/zinc/18/16/01/764181601.db2.gz LULTZJAGWBSXKR-QZWWFDLISA-N 1 2 349.431 0.968 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2conc2C)C[C@@H]1O ZINC001047385433 764181608 /nfs/dbraw/zinc/18/16/08/764181608.db2.gz LULTZJAGWBSXKR-QZWWFDLISA-N 1 2 349.431 0.968 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3cc(C)nc3s2)C1 ZINC001047408227 764252353 /nfs/dbraw/zinc/25/23/53/764252353.db2.gz WCIGDWLHXWLWKR-STQMWFEESA-N 1 2 332.429 0.845 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn3cc(C)nc3s2)C1 ZINC001047408227 764252363 /nfs/dbraw/zinc/25/23/63/764252363.db2.gz WCIGDWLHXWLWKR-STQMWFEESA-N 1 2 332.429 0.845 20 30 ECEDLO C=CCn1cccc1C(=O)N(C)[C@H]1C[N@H+](Cc2ccnn2C)C[C@@H]1O ZINC001047408794 764254134 /nfs/dbraw/zinc/25/41/34/764254134.db2.gz CFNNUNLTVBFZQT-IRXDYDNUSA-N 1 2 343.431 0.725 20 30 ECEDLO C=CCn1cccc1C(=O)N(C)[C@H]1C[N@@H+](Cc2ccnn2C)C[C@@H]1O ZINC001047408794 764254137 /nfs/dbraw/zinc/25/41/37/764254137.db2.gz CFNNUNLTVBFZQT-IRXDYDNUSA-N 1 2 343.431 0.725 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CC(F)(F)F)c2)C1 ZINC001047411077 764260101 /nfs/dbraw/zinc/26/01/01/764260101.db2.gz UXHLGPMCDHKUTD-RYUDHWBXSA-N 1 2 330.310 0.196 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CC(F)(F)F)c2)C1 ZINC001047411077 764260109 /nfs/dbraw/zinc/26/01/09/764260109.db2.gz UXHLGPMCDHKUTD-RYUDHWBXSA-N 1 2 330.310 0.196 20 30 ECEDLO C=C[C@H](CC)CC(=O)NC[C@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001106067467 764288571 /nfs/dbraw/zinc/28/85/71/764288571.db2.gz XCZCVGRODNYAOI-NEPJUHHUSA-N 1 2 332.408 0.855 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sccc2-n2ccnn2)C1 ZINC001047422280 764297674 /nfs/dbraw/zinc/29/76/74/764297674.db2.gz JWOTXWQXNAXYJL-STQMWFEESA-N 1 2 331.401 0.079 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sccc2-n2ccnn2)C1 ZINC001047422280 764297681 /nfs/dbraw/zinc/29/76/81/764297681.db2.gz JWOTXWQXNAXYJL-STQMWFEESA-N 1 2 331.401 0.079 20 30 ECEDLO COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)c2cnn(C)n2)C1 ZINC001032048424 764302778 /nfs/dbraw/zinc/30/27/78/764302778.db2.gz USUGRTWCXAANCH-UHFFFAOYSA-N 1 2 340.387 0.557 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(OCC)no3)C2)C1=O ZINC001015301974 764332997 /nfs/dbraw/zinc/33/29/97/764332997.db2.gz ZXFYYTCBXXETIA-CHWSQXEVSA-N 1 2 348.403 0.664 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cc(OCC)no3)C2)C1=O ZINC001015301974 764333007 /nfs/dbraw/zinc/33/30/07/764333007.db2.gz ZXFYYTCBXXETIA-CHWSQXEVSA-N 1 2 348.403 0.664 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3c(C)n[nH]c3C)C2)nn1 ZINC001098784974 768211491 /nfs/dbraw/zinc/21/14/91/768211491.db2.gz OLFDYUQDFHTXEI-HNNXBMFYSA-N 1 2 341.419 0.357 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001047531693 764613639 /nfs/dbraw/zinc/61/36/39/764613639.db2.gz QPXOHHBZWUONPS-KKUMJFAQSA-N 1 2 344.415 0.488 20 30 ECEDLO C=CCn1cc(C(=O)N(C)[C@H]2C[N@H+](C/C=C\Cl)C[C@@H]2O)nn1 ZINC001047553915 764679082 /nfs/dbraw/zinc/67/90/82/764679082.db2.gz DFMKGHSCLKJNAJ-AIMRDXAKSA-N 1 2 325.800 0.334 20 30 ECEDLO C=CCn1cc(C(=O)N(C)[C@H]2C[N@@H+](C/C=C\Cl)C[C@@H]2O)nn1 ZINC001047553915 764679090 /nfs/dbraw/zinc/67/90/90/764679090.db2.gz DFMKGHSCLKJNAJ-AIMRDXAKSA-N 1 2 325.800 0.334 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H]1C ZINC001088977424 764682287 /nfs/dbraw/zinc/68/22/87/764682287.db2.gz YBYZPGFZGKCNDM-MNOVXSKESA-N 1 2 328.800 0.212 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H]1C ZINC001088977424 764682296 /nfs/dbraw/zinc/68/22/96/764682296.db2.gz YBYZPGFZGKCNDM-MNOVXSKESA-N 1 2 328.800 0.212 20 30 ECEDLO C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001052547959 764732770 /nfs/dbraw/zinc/73/27/70/764732770.db2.gz LAYAEOVLTKDDFM-ZFWWWQNUSA-N 1 2 328.416 0.587 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1OC ZINC001212193875 764759433 /nfs/dbraw/zinc/75/94/33/764759433.db2.gz KXQULPOPFHFLHZ-UMVBOHGHSA-N 1 2 325.434 0.786 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1OC ZINC001212193875 764759439 /nfs/dbraw/zinc/75/94/39/764759439.db2.gz KXQULPOPFHFLHZ-UMVBOHGHSA-N 1 2 325.434 0.786 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2C[NH+](CC(=O)N3CCCCC3)C2)cn1 ZINC001032137549 764789800 /nfs/dbraw/zinc/78/98/00/764789800.db2.gz SKMBPQDSRHYNOJ-UHFFFAOYSA-N 1 2 340.427 0.737 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H](C)[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001052600254 764832108 /nfs/dbraw/zinc/83/21/08/764832108.db2.gz VHGAWKAPPWZMSB-LSDHHAIUSA-N 1 2 346.431 0.213 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)COc3ccccc3)C2)nn1 ZINC001098774110 764934610 /nfs/dbraw/zinc/93/46/10/764934610.db2.gz NIZOACIGDDYABF-MRXNPFEDSA-N 1 2 339.399 0.853 20 30 ECEDLO CN1CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)C1=O ZINC001015565079 764972333 /nfs/dbraw/zinc/97/23/33/764972333.db2.gz YELYXCPDYBGHLI-JKSUJKDBSA-N 1 2 326.400 0.727 20 30 ECEDLO CN1CC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1=O ZINC001015565079 764972337 /nfs/dbraw/zinc/97/23/37/764972337.db2.gz YELYXCPDYBGHLI-JKSUJKDBSA-N 1 2 326.400 0.727 20 30 ECEDLO C=CCOCC(=O)NC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001052813292 765167592 /nfs/dbraw/zinc/16/75/92/765167592.db2.gz GPZGCTROCBXUJS-UONOGXRCSA-N 1 2 334.420 0.756 20 30 ECEDLO C=CCOCC(=O)NC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001052813292 765167595 /nfs/dbraw/zinc/16/75/95/765167595.db2.gz GPZGCTROCBXUJS-UONOGXRCSA-N 1 2 334.420 0.756 20 30 ECEDLO C[C@@]1(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)CCNC1=O ZINC001015696175 765179580 /nfs/dbraw/zinc/17/95/80/765179580.db2.gz WGSOBYGWOMGVLR-VQIMIIECSA-N 1 2 343.402 0.894 20 30 ECEDLO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)CCNC1=O ZINC001015696175 765179585 /nfs/dbraw/zinc/17/95/85/765179585.db2.gz WGSOBYGWOMGVLR-VQIMIIECSA-N 1 2 343.402 0.894 20 30 ECEDLO C=CCCOCC(=O)N1C[C@H](C)[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001052841012 765211918 /nfs/dbraw/zinc/21/19/18/765211918.db2.gz JXDPDMMSSFSRQF-GJZGRUSLSA-N 1 2 334.420 0.687 20 30 ECEDLO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001015864704 765460449 /nfs/dbraw/zinc/46/04/49/765460449.db2.gz GOQRCNFFHCBYDN-GFCCVEGCSA-N 1 2 330.392 0.228 20 30 ECEDLO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001015864704 765460451 /nfs/dbraw/zinc/46/04/51/765460451.db2.gz GOQRCNFFHCBYDN-GFCCVEGCSA-N 1 2 330.392 0.228 20 30 ECEDLO CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001053035537 765510060 /nfs/dbraw/zinc/51/00/60/765510060.db2.gz VMMXNCKFYZOXQH-LSDHHAIUSA-N 1 2 330.432 0.833 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001053073164 765546865 /nfs/dbraw/zinc/54/68/65/765546865.db2.gz HSRPMZCCFXALSI-HZPDHXFCSA-N 1 2 346.431 0.524 20 30 ECEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cc3nc[nH]n3)C2)ccc1F ZINC001015968376 765637168 /nfs/dbraw/zinc/63/71/68/765637168.db2.gz WZOCCPMFNZGZHQ-CYBMUJFWSA-N 1 2 328.351 0.749 20 30 ECEDLO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)Cc3nc[nH]n3)C2)ccc1F ZINC001015968376 765637173 /nfs/dbraw/zinc/63/71/73/765637173.db2.gz WZOCCPMFNZGZHQ-CYBMUJFWSA-N 1 2 328.351 0.749 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001015970805 765642397 /nfs/dbraw/zinc/64/23/97/765642397.db2.gz STPZVBQDRHOJCX-AWEZNQCLSA-N 1 2 344.415 0.683 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001015970805 765642401 /nfs/dbraw/zinc/64/24/01/765642401.db2.gz STPZVBQDRHOJCX-AWEZNQCLSA-N 1 2 344.415 0.683 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000992154429 765690471 /nfs/dbraw/zinc/69/04/71/765690471.db2.gz BEJGGMLERBKVEB-GMEATFMZSA-N 1 2 346.431 0.944 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001016013079 765719673 /nfs/dbraw/zinc/71/96/73/765719673.db2.gz JRMGTWZUEWBOCC-CQSZACIVSA-N 1 2 342.399 0.176 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001016013079 765719679 /nfs/dbraw/zinc/71/96/79/765719679.db2.gz JRMGTWZUEWBOCC-CQSZACIVSA-N 1 2 342.399 0.176 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cc(CC)on3)C2)C1=O ZINC001016015887 765723605 /nfs/dbraw/zinc/72/36/05/765723605.db2.gz CTQXPMAUZPLJJU-SWLSCSKDSA-N 1 2 332.404 0.828 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(CC)on3)C2)C1=O ZINC001016015887 765723606 /nfs/dbraw/zinc/72/36/06/765723606.db2.gz CTQXPMAUZPLJJU-SWLSCSKDSA-N 1 2 332.404 0.828 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001016018978 765725755 /nfs/dbraw/zinc/72/57/55/765725755.db2.gz MWACOPQTZAKCIK-STQMWFEESA-N 1 2 330.388 0.032 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001016018978 765725760 /nfs/dbraw/zinc/72/57/60/765725760.db2.gz MWACOPQTZAKCIK-STQMWFEESA-N 1 2 330.388 0.032 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccnc3ccnn31)CCO2 ZINC001053284766 765904501 /nfs/dbraw/zinc/90/45/01/765904501.db2.gz IBQINOXRSAVFKM-UHFFFAOYSA-N 1 2 327.388 0.832 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCn3cncc3C1)CCO2 ZINC001053312529 765951598 /nfs/dbraw/zinc/95/15/98/765951598.db2.gz NOUGFRMMJPLYRD-OAHLLOKOSA-N 1 2 330.432 0.935 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cccc(C(N)=O)c1)CCO2 ZINC001053314187 765954378 /nfs/dbraw/zinc/95/43/78/765954378.db2.gz NPPSOHVSQCLRRL-UHFFFAOYSA-N 1 2 329.400 0.888 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc(=O)n(CCC)n1)CCO2 ZINC001053529179 766284725 /nfs/dbraw/zinc/28/47/25/766284725.db2.gz MPKDEHHXYKHBJD-UHFFFAOYSA-N 1 2 346.431 0.756 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C(=O)Nc1cc(C)on1)CCO2 ZINC001053531905 766289685 /nfs/dbraw/zinc/28/96/85/766289685.db2.gz ZHRAHJJRUWOBQG-UHFFFAOYSA-N 1 2 334.376 0.411 20 30 ECEDLO COc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1C#N ZINC001031662234 766380549 /nfs/dbraw/zinc/38/05/49/766380549.db2.gz YDGIAHRZZDKVMY-HUUCEWRRSA-N 1 2 344.371 0.780 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1nnn(C(C)(C)C)n1)O2 ZINC001053600555 766407764 /nfs/dbraw/zinc/40/77/64/766407764.db2.gz LDPLBDXGGYEVPA-LBPRGKRZSA-N 1 2 334.424 0.577 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnc3n[nH]nc3c1)O2 ZINC001053610927 766430324 /nfs/dbraw/zinc/43/03/24/766430324.db2.gz GCLDYZACYCVDAH-LBPRGKRZSA-N 1 2 328.376 0.502 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnc3n1CCOC3)O2 ZINC001053614403 766435966 /nfs/dbraw/zinc/43/59/66/766435966.db2.gz WBVRKWGZGQKNIV-CYBMUJFWSA-N 1 2 332.404 0.563 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C1CCC(C(N)=O)CC1)O2 ZINC001053619469 766449578 /nfs/dbraw/zinc/44/95/78/766449578.db2.gz AGCDKQLJHJUARL-YMAMQOFZSA-N 1 2 335.448 0.814 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccc(C(N)=O)c1)O2 ZINC001053619902 766451566 /nfs/dbraw/zinc/45/15/66/766451566.db2.gz ZDTLAOQYZWVYQU-OAHLLOKOSA-N 1 2 329.400 0.935 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1COCCN1CC)O2 ZINC001053620575 766454016 /nfs/dbraw/zinc/45/40/16/766454016.db2.gz PIWKODLEBXQBKM-HOTGVXAUSA-N 1 2 337.464 0.633 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(=O)n(C)c1)O2 ZINC001053622433 766460221 /nfs/dbraw/zinc/46/02/21/766460221.db2.gz WZIWNQSEURABIC-HNNXBMFYSA-N 1 2 331.416 0.925 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)O2 ZINC001053626144 766467848 /nfs/dbraw/zinc/46/78/48/766467848.db2.gz ODLHHORPZTZILK-UONOGXRCSA-N 1 2 342.461 0.347 20 30 ECEDLO Cn1ncc(C[NH+]2CCC3(C[C@H]3NC(=O)c3c[nH]c(C#N)c3)CC2)n1 ZINC001016587908 766547232 /nfs/dbraw/zinc/54/72/32/766547232.db2.gz NZJZQSTXYISKMF-OAHLLOKOSA-N 1 2 339.403 0.799 20 30 ECEDLO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCc3n[nH]nc3C1)O2 ZINC001053686596 766588257 /nfs/dbraw/zinc/58/82/57/766588257.db2.gz UMWCVRNCUFILRY-UONOGXRCSA-N 1 2 343.431 0.283 20 30 ECEDLO Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)C[C@@H](C)n2cc[nH+]c2)n1 ZINC001106131726 766590096 /nfs/dbraw/zinc/59/00/96/766590096.db2.gz ITLZTYUDBUSJCS-HIFRSBDPSA-N 1 2 342.403 0.999 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@H]1OC ZINC001212257871 766595065 /nfs/dbraw/zinc/59/50/65/766595065.db2.gz KDXVGPHQZPAGGC-FVQBIDKESA-N 1 2 332.404 0.139 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(C)ncn2)C[C@H]1OC ZINC001212257871 766595068 /nfs/dbraw/zinc/59/50/68/766595068.db2.gz KDXVGPHQZPAGGC-FVQBIDKESA-N 1 2 332.404 0.139 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnn(C)c1OC)O2 ZINC001053691004 766597893 /nfs/dbraw/zinc/59/78/93/766597893.db2.gz ULXZQIUMUDOOQK-ZDUSSCGKSA-N 1 2 334.420 0.968 20 30 ECEDLO CCc1nc(CN2CC[C@@H]([NH+]3CCN(C(=O)[C@@H](C)C#N)CC3)C2)no1 ZINC001046012924 766640760 /nfs/dbraw/zinc/64/07/60/766640760.db2.gz RQDADJDFDHBBQG-UONOGXRCSA-N 1 2 346.435 0.510 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCN([C@@H]2CC[N@H+](Cc3cnns3)C2)CC1 ZINC001046013185 766641306 /nfs/dbraw/zinc/64/13/06/766641306.db2.gz UNCYKHMKOJBWNN-QWHCGFSZSA-N 1 2 334.449 0.416 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3cnns3)C2)CC1 ZINC001046013185 766641311 /nfs/dbraw/zinc/64/13/11/766641311.db2.gz UNCYKHMKOJBWNN-QWHCGFSZSA-N 1 2 334.449 0.416 20 30 ECEDLO Cc1nnc(C[N@@H+]2CC[C@H](N3CCN(C(=O)C#CC4CC4)CC3)C2)o1 ZINC001046027554 766687610 /nfs/dbraw/zinc/68/76/10/766687610.db2.gz PPYYXFJXQIDPGS-INIZCTEOSA-N 1 2 343.431 0.510 20 30 ECEDLO Cc1nnc(C[N@H+]2CC[C@H](N3CCN(C(=O)C#CC4CC4)CC3)C2)o1 ZINC001046027554 766687616 /nfs/dbraw/zinc/68/76/16/766687616.db2.gz PPYYXFJXQIDPGS-INIZCTEOSA-N 1 2 343.431 0.510 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(CCC)[nH]n2)C1 ZINC000994756422 766719967 /nfs/dbraw/zinc/71/99/67/766719967.db2.gz XBMGHPRGGPIEIQ-INIZCTEOSA-N 1 2 343.431 0.400 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(CCC)[nH]n2)C1 ZINC000994756422 766719976 /nfs/dbraw/zinc/71/99/76/766719976.db2.gz XBMGHPRGGPIEIQ-INIZCTEOSA-N 1 2 343.431 0.400 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3CCn4ccnc4C3)CC2)C1 ZINC001046040823 766749298 /nfs/dbraw/zinc/74/92/98/766749298.db2.gz LRWZBYYDRZBHJG-HZPDHXFCSA-N 1 2 342.447 0.188 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)Cn3cc(C4CC4)cn3)CC2)C1 ZINC001046040819 766749625 /nfs/dbraw/zinc/74/96/25/766749625.db2.gz LOMOELLIXXYBOH-KRWDZBQOSA-N 1 2 342.447 0.503 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(NC(C)=O)ccc2F)C1 ZINC001078260392 782578796 /nfs/dbraw/zinc/57/87/96/782578796.db2.gz ALNYYQLCRRNZEY-HZPDHXFCSA-N 1 2 333.363 0.582 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(NC(C)=O)ccc2F)C1 ZINC001078260392 782578802 /nfs/dbraw/zinc/57/88/02/782578802.db2.gz ALNYYQLCRRNZEY-HZPDHXFCSA-N 1 2 333.363 0.582 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)CCc3ccccn3)CC2)C1 ZINC001046050175 766785459 /nfs/dbraw/zinc/78/54/59/766785459.db2.gz GNQIQFXBVJZEMJ-QGZVFWFLSA-N 1 2 327.432 0.756 20 30 ECEDLO Cn1ncc(C[N@@H+]2CC[C@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@H]32)n1 ZINC001042000221 782579915 /nfs/dbraw/zinc/57/99/15/782579915.db2.gz LHZYRNNXRHXITG-XJKSGUPXSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1ncc(C[N@H+]2CC[C@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@H]32)n1 ZINC001042000221 782579923 /nfs/dbraw/zinc/57/99/23/782579923.db2.gz LHZYRNNXRHXITG-XJKSGUPXSA-N 1 2 339.403 0.751 20 30 ECEDLO Cc1nc(N(C)C)nc(NCCOCCN(C)C(=O)[C@@H](C)C#N)[nH+]1 ZINC001127258273 766839006 /nfs/dbraw/zinc/83/90/06/766839006.db2.gz ANRYVTSSZIPIJH-NSHDSACASA-N 1 2 335.412 0.293 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccnn1CC(F)F)CO2 ZINC001053801210 766884150 /nfs/dbraw/zinc/88/41/50/766884150.db2.gz HLCUFHQDAAJVKU-LBPRGKRZSA-N 1 2 338.358 0.745 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000994827583 766905408 /nfs/dbraw/zinc/90/54/08/766905408.db2.gz NSYWBQDBRALFIU-BHPKHCPMSA-N 1 2 330.388 0.431 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000994827583 766905413 /nfs/dbraw/zinc/90/54/13/766905413.db2.gz NSYWBQDBRALFIU-BHPKHCPMSA-N 1 2 330.388 0.431 20 30 ECEDLO C[C@@H](CC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1)N1CCCC1=O ZINC001046077222 766906957 /nfs/dbraw/zinc/90/69/57/766906957.db2.gz SQWXKZWTSLFZIY-JKSUJKDBSA-N 1 2 347.463 0.129 20 30 ECEDLO C[C@@H](C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1)C1CCOCC1 ZINC001046089908 766931954 /nfs/dbraw/zinc/93/19/54/766931954.db2.gz LDCGWBWAMMGLJA-NVXWUHKLSA-N 1 2 334.464 0.791 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@@H]2O)c1 ZINC001083765087 766999739 /nfs/dbraw/zinc/99/97/39/766999739.db2.gz MONHOSMNZBWPIC-OLZOCXBDSA-N 1 2 327.306 0.790 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCC(F)(F)F)C[C@@H]2O)c1 ZINC001083765087 766999744 /nfs/dbraw/zinc/99/97/44/766999744.db2.gz MONHOSMNZBWPIC-OLZOCXBDSA-N 1 2 327.306 0.790 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3nc(C)nn3C1)CO2 ZINC001053878870 767127445 /nfs/dbraw/zinc/12/74/45/767127445.db2.gz LHVSQAUSKARUAK-HUUCEWRRSA-N 1 2 343.431 0.132 20 30 ECEDLO Cc1nonc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001078278805 782606124 /nfs/dbraw/zinc/60/61/24/782606124.db2.gz DGOJBRQKSVTYEY-ZIAGYGMSSA-N 1 2 327.344 0.225 20 30 ECEDLO Cc1nonc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001078278805 782606129 /nfs/dbraw/zinc/60/61/29/782606129.db2.gz DGOJBRQKSVTYEY-ZIAGYGMSSA-N 1 2 327.344 0.225 20 30 ECEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@H]3CCCC(=O)N3)C2)c1 ZINC001031754396 767153317 /nfs/dbraw/zinc/15/33/17/767153317.db2.gz BHWRFJXONILEPA-MRXNPFEDSA-N 1 2 344.390 0.914 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001046359892 767167838 /nfs/dbraw/zinc/16/78/38/767167838.db2.gz LSXJOXKEUXLSDW-RISCZKNCSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001046359892 767167840 /nfs/dbraw/zinc/16/78/40/767167840.db2.gz LSXJOXKEUXLSDW-RISCZKNCSA-N 1 2 344.253 0.954 20 30 ECEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCC(=O)NC1 ZINC001031804489 767236657 /nfs/dbraw/zinc/23/66/57/767236657.db2.gz ZHRNWCLOOYEQFM-MRXNPFEDSA-N 1 2 343.402 0.751 20 30 ECEDLO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@]3(F)CCOC3)C2)c1 ZINC001077567880 767283346 /nfs/dbraw/zinc/28/33/46/767283346.db2.gz NJEHSJNHYVDTOO-BFYDXBDKSA-N 1 2 333.363 0.348 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@]3(F)CCOC3)C2)c1 ZINC001077567880 767283349 /nfs/dbraw/zinc/28/33/49/767283349.db2.gz NJEHSJNHYVDTOO-BFYDXBDKSA-N 1 2 333.363 0.348 20 30 ECEDLO CN(C(=O)Cc1[nH]cc[nH+]1)C1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001016933084 767342953 /nfs/dbraw/zinc/34/29/53/767342953.db2.gz LUIXNDVLNOAQSO-UHFFFAOYSA-N 1 2 326.360 0.571 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1Cc3ccncc3C1)CO2 ZINC001053924475 767373640 /nfs/dbraw/zinc/37/36/40/767373640.db2.gz UPKJTJPGQIYHHF-WBVHZDCISA-N 1 2 325.412 0.779 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C)c(C(N)=O)cn1)CO2 ZINC001053930646 767391838 /nfs/dbraw/zinc/39/18/38/767391838.db2.gz YIZZQNHHWFGJMJ-CYBMUJFWSA-N 1 2 342.399 0.085 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)NC[C@@H](O)CNc2ncccc2C#N)c[nH+]1 ZINC001106159821 767412225 /nfs/dbraw/zinc/41/22/25/767412225.db2.gz NKYCJRGMRJHOHC-AWEZNQCLSA-N 1 2 342.403 0.783 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1scnc1COC)CO2 ZINC001053950252 767434419 /nfs/dbraw/zinc/43/44/19/767434419.db2.gz YBBYGKJDIHORIH-GFCCVEGCSA-N 1 2 335.429 0.886 20 30 ECEDLO N#CCSCC(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060463029 767452234 /nfs/dbraw/zinc/45/22/34/767452234.db2.gz PDJKOEJTWRBRDO-GFCCVEGCSA-N 1 2 335.433 0.564 20 30 ECEDLO CCCn1nnnc1C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)C#N)C1 ZINC001017073311 767550829 /nfs/dbraw/zinc/55/08/29/767550829.db2.gz YJBAPIVYMIBBML-ZIAGYGMSSA-N 1 2 333.440 0.913 20 30 ECEDLO CCCn1nnnc1C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)C#N)C1 ZINC001017073311 767550834 /nfs/dbraw/zinc/55/08/34/767550834.db2.gz YJBAPIVYMIBBML-ZIAGYGMSSA-N 1 2 333.440 0.913 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1c(C)csc1=O)CO2 ZINC001054004273 767571110 /nfs/dbraw/zinc/57/11/10/767571110.db2.gz KSXLJNCGCSVKOA-ZDUSSCGKSA-N 1 2 335.429 0.201 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1nc3ncccn3n1)CO2 ZINC001054007143 767579122 /nfs/dbraw/zinc/57/91/22/767579122.db2.gz XZDFTHYYPGRWAN-CYBMUJFWSA-N 1 2 342.403 0.202 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCC)CO2 ZINC001054014477 767600824 /nfs/dbraw/zinc/60/08/24/767600824.db2.gz BKSFQERDPFXQFH-HOTGVXAUSA-N 1 2 347.459 0.760 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cccnc1C(N)=O)CO2 ZINC001054014764 767601632 /nfs/dbraw/zinc/60/16/32/767601632.db2.gz QVYAURIHXLSUDL-LBPRGKRZSA-N 1 2 330.388 0.330 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3nncn3C1)CO2 ZINC001054016688 767607717 /nfs/dbraw/zinc/60/77/17/767607717.db2.gz HXCWXVSCESJYIF-ZIAGYGMSSA-N 1 2 331.420 0.376 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001054057760 767655679 /nfs/dbraw/zinc/65/56/79/767655679.db2.gz RQJLNMZRSXFSEM-INIZCTEOSA-N 1 2 336.395 0.904 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001054057760 767655683 /nfs/dbraw/zinc/65/56/83/767655683.db2.gz RQJLNMZRSXFSEM-INIZCTEOSA-N 1 2 336.395 0.904 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCn3cc(C)cn3)C2)nn1 ZINC001098789400 768572491 /nfs/dbraw/zinc/57/24/91/768572491.db2.gz CNXDEZHPAOXAOM-MRXNPFEDSA-N 1 2 341.419 0.370 20 30 ECEDLO N#CCSCC(=O)N1C[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001055182896 768638566 /nfs/dbraw/zinc/63/85/66/768638566.db2.gz NRLLTRRWBTWJDH-BETUJISGSA-N 1 2 347.444 0.516 20 30 ECEDLO N#CCSCC(=O)N1C[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001055182896 768638572 /nfs/dbraw/zinc/63/85/72/768638572.db2.gz NRLLTRRWBTWJDH-BETUJISGSA-N 1 2 347.444 0.516 20 30 ECEDLO N#Cc1ccc(N[C@@H]2CC[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]32)nn1 ZINC001060541229 768654817 /nfs/dbraw/zinc/65/48/17/768654817.db2.gz LJXZCQSXBOMQDG-FPMFFAJLSA-N 1 2 337.387 0.963 20 30 ECEDLO N#Cc1cncc(N[C@@H]2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]23)n1 ZINC001060541560 768659727 /nfs/dbraw/zinc/65/97/27/768659727.db2.gz QVVKNGOODCDACX-MRVWCRGKSA-N 1 2 337.387 0.963 20 30 ECEDLO C[C@H]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001018072204 768686291 /nfs/dbraw/zinc/68/62/91/768686291.db2.gz WUMWSFYGNUHXII-AAEUAGOBSA-N 1 2 340.387 0.961 20 30 ECEDLO C=CCOCC(=O)N1C[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001055252208 768712065 /nfs/dbraw/zinc/71/20/65/768712065.db2.gz XWXOTXXLTOCUAN-OKILXGFUSA-N 1 2 332.404 0.462 20 30 ECEDLO C=CCOCC(=O)N1C[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001055252208 768712072 /nfs/dbraw/zinc/71/20/72/768712072.db2.gz XWXOTXXLTOCUAN-OKILXGFUSA-N 1 2 332.404 0.462 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1CC[C@@H](n2cc(C[NH2+]CCF)nn2)C1 ZINC001098789867 768724796 /nfs/dbraw/zinc/72/47/96/768724796.db2.gz KMJHYEOTRICGGH-GXTWGEPZSA-N 1 2 325.388 0.702 20 30 ECEDLO C=C(Cl)CNCc1cn([C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001098790252 768763213 /nfs/dbraw/zinc/76/32/13/768763213.db2.gz QDUOLBXTIOXMIJ-CQSZACIVSA-N 1 2 349.826 0.790 20 30 ECEDLO C#CCCCC(=O)N1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001055310923 768766498 /nfs/dbraw/zinc/76/64/98/768766498.db2.gz WGZJZUPBRHJRNL-IYBDPMFKSA-N 1 2 328.416 0.994 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H]1C ZINC000993364190 768875851 /nfs/dbraw/zinc/87/58/51/768875851.db2.gz JWOZXOPRXAHVPK-QWRGUYRKSA-N 1 2 340.815 0.099 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H]1C ZINC000993364190 768875863 /nfs/dbraw/zinc/87/58/63/768875863.db2.gz JWOZXOPRXAHVPK-QWRGUYRKSA-N 1 2 340.815 0.099 20 30 ECEDLO CC(C)(C)C#CC(=O)NCC[NH+]1CCC(NC(=O)c2cn[nH]n2)CC1 ZINC001055574995 769159766 /nfs/dbraw/zinc/15/97/66/769159766.db2.gz HRDDELAYFQQZPC-UHFFFAOYSA-N 1 2 346.435 0.165 20 30 ECEDLO CC(C)(C)C#CC(=O)NCC[NH+]1CCC(NC(=O)c2cnn[nH]2)CC1 ZINC001055574995 769159769 /nfs/dbraw/zinc/15/97/69/769159769.db2.gz HRDDELAYFQQZPC-UHFFFAOYSA-N 1 2 346.435 0.165 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccnn3C)C2)CC1 ZINC001018357457 769180167 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C=CCCCC(=O)NCCN(CCO)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001057710843 772933572 /nfs/dbraw/zinc/93/35/72/772933572.db2.gz AVTJODUBONCHKT-CQSZACIVSA-N 1 2 336.436 0.882 20 30 ECEDLO C=CCCCC(=O)NCCN(CCO)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001057710843 772933574 /nfs/dbraw/zinc/93/35/74/772933574.db2.gz AVTJODUBONCHKT-CQSZACIVSA-N 1 2 336.436 0.882 20 30 ECEDLO CCc1nc(C#N)cc(N2CCC(NC(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001057880472 773121674 /nfs/dbraw/zinc/12/16/74/773121674.db2.gz CWJJNWWBGGIMQD-UHFFFAOYSA-N 1 2 339.403 0.892 20 30 ECEDLO C=CCCC(=O)NCCN(CCO)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001057941012 773229331 /nfs/dbraw/zinc/22/93/31/773229331.db2.gz CZXBJIIDONFXIO-AWEZNQCLSA-N 1 2 334.420 0.349 20 30 ECEDLO C[C@H](Nc1ccnc(C#N)n1)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001058014125 773369669 /nfs/dbraw/zinc/36/96/69/773369669.db2.gz IUXCGFCXPNVGOU-UONOGXRCSA-N 1 2 339.403 0.848 20 30 ECEDLO C=CCC1(C(=O)NCCN(CCO)C(=O)Cc2c[nH+]cn2C)CCC1 ZINC001058157931 773658837 /nfs/dbraw/zinc/65/88/37/773658837.db2.gz 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C=C[C@@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001044984670 774800043 /nfs/dbraw/zinc/80/00/43/774800043.db2.gz DAUKJLQKLVWBCD-CABCVRRESA-N 1 2 348.447 0.811 20 30 ECEDLO N#Cc1cncc(N2CC[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)n1 ZINC001045062741 774917920 /nfs/dbraw/zinc/91/79/20/774917920.db2.gz XFEWVINDDLULEP-ZFWWWQNUSA-N 1 2 337.387 0.672 20 30 ECEDLO C#CCCCC(=O)N1CC(O)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001043858985 775119170 /nfs/dbraw/zinc/11/91/70/775119170.db2.gz QKJQVTIPYLDPQT-UHFFFAOYSA-N 1 2 340.383 0.441 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)CCO2 ZINC001068470841 790336608 /nfs/dbraw/zinc/33/66/08/790336608.db2.gz WCPBGZCSOYSZCN-AWEZNQCLSA-N 1 2 346.431 0.994 20 30 ECEDLO C=CCCCC(=O)N1CC2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)CCO2 ZINC001068470371 790337275 /nfs/dbraw/zinc/33/72/75/790337275.db2.gz QMEIJXQRKUQQDC-UHFFFAOYSA-N 1 2 332.404 0.748 20 30 ECEDLO C=CCCCC(=O)NCC1(O)CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001045458550 775640086 /nfs/dbraw/zinc/64/00/86/775640086.db2.gz FFABWAHAKTZUJP-CQSZACIVSA-N 1 2 334.420 0.880 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(OC)c2C)[C@@H](n2ccnn2)C1 ZINC001070038304 790413696 /nfs/dbraw/zinc/41/36/96/790413696.db2.gz NZKNEHZCGZKPRJ-CVEARBPZSA-N 1 2 339.399 0.884 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(OC)c2C)[C@@H](n2ccnn2)C1 ZINC001070038304 790413702 /nfs/dbraw/zinc/41/37/02/790413702.db2.gz NZKNEHZCGZKPRJ-CVEARBPZSA-N 1 2 339.399 0.884 20 30 ECEDLO N#Cc1cccnc1N1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](O)C1 ZINC001044322268 776150039 /nfs/dbraw/zinc/15/00/39/776150039.db2.gz ZMNIKJKUSLXBCU-HIFRSBDPSA-N 1 2 348.366 0.580 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccnc(C3CC3)n2)[C@@H](n2ccnn2)C1 ZINC001070043733 790433029 /nfs/dbraw/zinc/43/30/29/790433029.db2.gz FZYJJAJTOMJJGA-CABCVRRESA-N 1 2 337.387 0.234 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccnc(C3CC3)n2)[C@@H](n2ccnn2)C1 ZINC001070043733 790433034 /nfs/dbraw/zinc/43/30/34/790433034.db2.gz FZYJJAJTOMJJGA-CABCVRRESA-N 1 2 337.387 0.234 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(COC)on2)[C@@H](n2ccnn2)C1 ZINC001070045903 790439085 /nfs/dbraw/zinc/43/90/85/790439085.db2.gz ZZEIYAOZDTUILJ-CABCVRRESA-N 1 2 344.375 0.091 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(COC)on2)[C@@H](n2ccnn2)C1 ZINC001070045903 790439089 /nfs/dbraw/zinc/43/90/89/790439089.db2.gz ZZEIYAOZDTUILJ-CABCVRRESA-N 1 2 344.375 0.091 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(c3[nH+]cnc4c3cnn4C)C[C@@H]2O)C1 ZINC001044487178 776350127 /nfs/dbraw/zinc/35/01/27/776350127.db2.gz FHCVWQFICZINMG-OLZOCXBDSA-N 1 2 342.403 0.385 20 30 ECEDLO Cc1cc(C)c(C(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)c(C)[nH+]1 ZINC001044585566 776483100 /nfs/dbraw/zinc/48/31/00/776483100.db2.gz WHHHXCASGAOMBL-UHFFFAOYSA-N 1 2 343.427 0.969 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001044667520 776608989 /nfs/dbraw/zinc/60/89/89/776608989.db2.gz XWKUKNULDDXOJL-QGZVFWFLSA-N 1 2 348.447 0.645 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001044714303 776684911 /nfs/dbraw/zinc/68/49/11/776684911.db2.gz HGIGEKFBDITEPI-UHFFFAOYSA-N 1 2 346.431 0.399 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001044714357 776686079 /nfs/dbraw/zinc/68/60/79/776686079.db2.gz ITOVIKRLBJSDEI-UONOGXRCSA-N 1 2 348.447 0.500 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3nccn3c2)[C@@H](n2ccnn2)C1 ZINC001070073552 790512327 /nfs/dbraw/zinc/51/23/27/790512327.db2.gz LYKLZPPNEJNDHN-CVEARBPZSA-N 1 2 349.398 0.604 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc3nccn3c2)[C@@H](n2ccnn2)C1 ZINC001070073552 790512336 /nfs/dbraw/zinc/51/23/36/790512336.db2.gz LYKLZPPNEJNDHN-CVEARBPZSA-N 1 2 349.398 0.604 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001079984926 777193811 /nfs/dbraw/zinc/19/38/11/777193811.db2.gz QPIOYGZTJMDKAD-YUSALJHKSA-N 1 2 339.827 0.735 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001079984926 777193816 /nfs/dbraw/zinc/19/38/16/777193816.db2.gz QPIOYGZTJMDKAD-YUSALJHKSA-N 1 2 339.827 0.735 20 30 ECEDLO C=CCOCC(=O)N1CC(N(CC)C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001080015331 777234156 /nfs/dbraw/zinc/23/41/56/777234156.db2.gz IBQHXCQYRIRGDP-UHFFFAOYSA-N 1 2 347.415 0.895 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)Cc2c[nH+]cn2C)C1 ZINC001080142983 777458282 /nfs/dbraw/zinc/45/82/82/777458282.db2.gz PVCYUGIUEWJJCF-ZDUSSCGKSA-N 1 2 332.404 0.060 20 30 ECEDLO C#CCOCCC(=O)N1CC(N(CC)C(=O)CCc2c[nH+]cn2C)C1 ZINC001080247319 777605893 /nfs/dbraw/zinc/60/58/93/777605893.db2.gz YDQOXVWUBJBTOV-UHFFFAOYSA-N 1 2 346.431 0.452 20 30 ECEDLO C=C(C)CCC(=O)NCC1(O)CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001043315582 778146834 /nfs/dbraw/zinc/14/68/34/778146834.db2.gz PVELXCUCTACEST-UHFFFAOYSA-N 1 2 348.447 0.972 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2N(C)C)[C@@H](n2ccnn2)C1 ZINC001070107313 790625181 /nfs/dbraw/zinc/62/51/81/790625181.db2.gz ZNFHQTCIMYWJNH-WBVHZDCISA-N 1 2 338.415 0.633 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2N(C)C)[C@@H](n2ccnn2)C1 ZINC001070107313 790625188 /nfs/dbraw/zinc/62/51/88/790625188.db2.gz ZNFHQTCIMYWJNH-WBVHZDCISA-N 1 2 338.415 0.633 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)O2 ZINC001068586724 790638879 /nfs/dbraw/zinc/63/88/79/790638879.db2.gz JFMLVVXPPHFXRX-OCCSQVGLSA-N 1 2 345.403 0.378 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)O2 ZINC001068586724 790638884 /nfs/dbraw/zinc/63/88/84/790638884.db2.gz JFMLVVXPPHFXRX-OCCSQVGLSA-N 1 2 345.403 0.378 20 30 ECEDLO CCc1cc(N2C[C@H]3OCCN(C(=O)[C@@H](C)C#N)[C@H]3C2)nc(C)[nH+]1 ZINC001043679898 778711150 /nfs/dbraw/zinc/71/11/50/778711150.db2.gz FPVCENDBIXFCAR-TUKIKUTGSA-N 1 2 329.404 0.923 20 30 ECEDLO C=CCC1(C(=O)N2CC(O)(CNC(=O)Cn3cc[nH+]c3)C2)CCCC1 ZINC001043715413 778763710 /nfs/dbraw/zinc/76/37/10/778763710.db2.gz VPSNCTXCZZRVDZ-UHFFFAOYSA-N 1 2 346.431 0.709 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(O)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001043762209 778827876 /nfs/dbraw/zinc/82/78/76/778827876.db2.gz GYMWTGDONVWLBH-SNVBAGLBSA-N 1 2 327.344 0.026 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001042828029 780900948 /nfs/dbraw/zinc/90/09/48/780900948.db2.gz JEGRXFSHSGLDKJ-CHWSQXEVSA-N 1 2 334.420 0.490 20 30 ECEDLO CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001042852957 780947152 /nfs/dbraw/zinc/94/71/52/780947152.db2.gz QFJAIPVSQMOOEU-UKRRQHHQSA-N 1 2 326.360 0.170 20 30 ECEDLO CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001042970536 781118577 /nfs/dbraw/zinc/11/85/77/781118577.db2.gz OLDKJRDJWZYNLJ-UHFFFAOYSA-N 1 2 332.404 0.081 20 30 ECEDLO CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001042970536 781118579 /nfs/dbraw/zinc/11/85/79/781118579.db2.gz OLDKJRDJWZYNLJ-UHFFFAOYSA-N 1 2 332.404 0.081 20 30 ECEDLO CO[C@@H]1CN(c2nc(C)ccc2C#N)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001042986928 781141038 /nfs/dbraw/zinc/14/10/38/781141038.db2.gz LZHQOQQOFQABRF-HUUCEWRRSA-N 1 2 340.387 0.547 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001079493304 781180543 /nfs/dbraw/zinc/18/05/43/781180543.db2.gz IDBVNQFMPJNQJE-FBIMIBRVSA-N 1 2 330.226 0.610 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001079493304 781180548 /nfs/dbraw/zinc/18/05/48/781180548.db2.gz IDBVNQFMPJNQJE-FBIMIBRVSA-N 1 2 330.226 0.610 20 30 ECEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)[nH]1 ZINC001077692279 781525054 /nfs/dbraw/zinc/52/50/54/781525054.db2.gz MEXLNFPNSJEVPJ-ZIAGYGMSSA-N 1 2 345.428 0.935 20 30 ECEDLO Cc1nc(C)c(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)[nH]1 ZINC001077692279 781525060 /nfs/dbraw/zinc/52/50/60/781525060.db2.gz MEXLNFPNSJEVPJ-ZIAGYGMSSA-N 1 2 345.428 0.935 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ocnc3C)C[C@H]2O)nn1 ZINC001077814035 781746119 /nfs/dbraw/zinc/74/61/19/781746119.db2.gz PNTXHEUCKTWGRK-TZMCWYRMSA-N 1 2 346.391 0.126 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ocnc3C)C[C@H]2O)nn1 ZINC001077814035 781746123 /nfs/dbraw/zinc/74/61/23/781746123.db2.gz PNTXHEUCKTWGRK-TZMCWYRMSA-N 1 2 346.391 0.126 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@H]1O ZINC001077821686 781758472 /nfs/dbraw/zinc/75/84/72/781758472.db2.gz AUHBZNBTYXREGQ-JJXSEGSLSA-N 1 2 335.404 0.626 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@H]1O ZINC001077821686 781758474 /nfs/dbraw/zinc/75/84/74/781758474.db2.gz AUHBZNBTYXREGQ-JJXSEGSLSA-N 1 2 335.404 0.626 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NC[C@@]1(O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001040814681 783493419 /nfs/dbraw/zinc/49/34/19/783493419.db2.gz ZXVMYIOIRUQSGG-IRXDYDNUSA-N 1 2 334.420 0.565 20 30 ECEDLO C[C@@H](C#N)C(=O)NCC1(NC(=O)CCc2[nH+]ccn2C)CCOCC1 ZINC001070192401 783626082 /nfs/dbraw/zinc/62/60/82/783626082.db2.gz VEJQBOPWDWENCN-ZDUSSCGKSA-N 1 2 347.419 0.294 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@@H]([NH2+]Cc2cnns2)[C@@H](n2ccnn2)C1 ZINC001070192859 783626207 /nfs/dbraw/zinc/62/62/07/783626207.db2.gz SUKYNKJVZWEKPD-KGLIPLIRSA-N 1 2 343.416 0.085 20 30 ECEDLO C=CC[NH2+][C@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@H]1CC ZINC001037940946 783718139 /nfs/dbraw/zinc/71/81/39/783718139.db2.gz NRFYMRYOWRMECE-OCCSQVGLSA-N 1 2 344.419 0.474 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)c2cc(CC)n[nH]2)C1=O ZINC001038065343 783809751 /nfs/dbraw/zinc/80/97/51/783809751.db2.gz AHHLUJBMGKKLDR-HIFRSBDPSA-N 1 2 331.420 0.563 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)c2cc(CC)n[nH]2)C1=O ZINC001038065343 783809756 /nfs/dbraw/zinc/80/97/56/783809756.db2.gz AHHLUJBMGKKLDR-HIFRSBDPSA-N 1 2 331.420 0.563 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)c2ccc(C)nc2)C1=O ZINC001038072456 783819178 /nfs/dbraw/zinc/81/91/78/783819178.db2.gz PNHRFCDPGJXHEY-JKSUJKDBSA-N 1 2 328.416 0.981 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)c2ccc(C)nc2)C1=O ZINC001038072456 783819182 /nfs/dbraw/zinc/81/91/82/783819182.db2.gz PNHRFCDPGJXHEY-JKSUJKDBSA-N 1 2 328.416 0.981 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2CCNC(=O)C2)cc1F ZINC001038161606 783934265 /nfs/dbraw/zinc/93/42/65/783934265.db2.gz PSTUVJKPHUXTPV-ZFWWWQNUSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2CCNC(=O)C2)cc1F ZINC001038161606 783934271 /nfs/dbraw/zinc/93/42/71/783934271.db2.gz PSTUVJKPHUXTPV-ZFWWWQNUSA-N 1 2 344.390 0.914 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1cccnc1)C[C@H]2c1nnc(C)[nH]1 ZINC001070439783 784075439 /nfs/dbraw/zinc/07/54/39/784075439.db2.gz ZBRBASONZCXGOU-HNNXBMFYSA-N 1 2 336.399 0.683 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1cccn1C)C[C@H]2c1nnc(C)[nH]1 ZINC001070440525 784077957 /nfs/dbraw/zinc/07/79/57/784077957.db2.gz IKHJNKKBPBQGPM-AWEZNQCLSA-N 1 2 338.415 0.626 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1cnccn1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070441623 784082538 /nfs/dbraw/zinc/08/25/38/784082538.db2.gz ZCGHFOAUHZZHOA-CYBMUJFWSA-N 1 2 337.387 0.078 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001070905302 784087000 /nfs/dbraw/zinc/08/70/00/784087000.db2.gz UVSVLAZINBLKPW-LSDHHAIUSA-N 1 2 334.420 0.972 20 30 ECEDLO C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC001070906274 784090109 /nfs/dbraw/zinc/09/01/09/784090109.db2.gz YZSRWJWVQWPMMY-CFVMTHIKSA-N 1 2 343.387 0.153 20 30 ECEDLO C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC001070906274 784090113 /nfs/dbraw/zinc/09/01/13/784090113.db2.gz YZSRWJWVQWPMMY-CFVMTHIKSA-N 1 2 343.387 0.153 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccon2)C1 ZINC001070907693 784094150 /nfs/dbraw/zinc/09/41/50/784094150.db2.gz WFNGPVAOABGOOM-CFVMTHIKSA-N 1 2 344.371 0.417 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccon2)C1 ZINC001070907693 784094154 /nfs/dbraw/zinc/09/41/54/784094154.db2.gz WFNGPVAOABGOOM-CFVMTHIKSA-N 1 2 344.371 0.417 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2c[nH]nc2C)C1 ZINC001070916102 784108409 /nfs/dbraw/zinc/10/84/09/784108409.db2.gz BMPZBLLTJNELBC-YUELXQCFSA-N 1 2 345.403 0.624 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2c[nH]nc2C)C1 ZINC001070916102 784108413 /nfs/dbraw/zinc/10/84/13/784108413.db2.gz BMPZBLLTJNELBC-YUELXQCFSA-N 1 2 345.403 0.624 20 30 ECEDLO C=CC[NH+]1CC2(C1)CN(C(=O)c1nonc1C)C[C@H]2c1nnc(C)[nH]1 ZINC001070451223 784112183 /nfs/dbraw/zinc/11/21/83/784112183.db2.gz VVSSUUMGHQPNDY-LBPRGKRZSA-N 1 2 343.391 0.532 20 30 ECEDLO Cc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2cn(C)cn2)n1 ZINC001070476468 784159446 /nfs/dbraw/zinc/15/94/46/784159446.db2.gz NYBBDCIBMICBNU-VHRBIJSZSA-N 1 2 343.391 0.355 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)Cc2cscn2)CC1 ZINC001071007712 784393181 /nfs/dbraw/zinc/39/31/81/784393181.db2.gz VBPSJBQLORPZFJ-UHFFFAOYSA-N 1 2 336.461 0.912 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)Cc2cscn2)CC1 ZINC001071007712 784393185 /nfs/dbraw/zinc/39/31/85/784393185.db2.gz VBPSJBQLORPZFJ-UHFFFAOYSA-N 1 2 336.461 0.912 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cnn(CC)c2C)CC1 ZINC001071010454 784403022 /nfs/dbraw/zinc/40/30/22/784403022.db2.gz MAEYDKCYQLULIX-UHFFFAOYSA-N 1 2 345.447 0.499 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cnn(CC)c2C)CC1 ZINC001071010454 784403026 /nfs/dbraw/zinc/40/30/26/784403026.db2.gz MAEYDKCYQLULIX-UHFFFAOYSA-N 1 2 345.447 0.499 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@]23CCOC3)CC1 ZINC001071014186 784414562 /nfs/dbraw/zinc/41/45/62/784414562.db2.gz CQBUNFCLUVKSCI-YJBOKZPZSA-N 1 2 335.448 0.640 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@]23CCOC3)CC1 ZINC001071014186 784414567 /nfs/dbraw/zinc/41/45/67/784414567.db2.gz CQBUNFCLUVKSCI-YJBOKZPZSA-N 1 2 335.448 0.640 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2cnon2)C1 ZINC001070630523 784462716 /nfs/dbraw/zinc/46/27/16/784462716.db2.gz USJTUSYNGMCUCL-CYZMBNFOSA-N 1 2 329.364 0.047 20 30 ECEDLO N#Cc1cc(C(=O)N2CCC[C@@H](NC(=O)CCc3c[nH]c[nH+]3)C2)c[nH]1 ZINC001070636240 784471383 /nfs/dbraw/zinc/47/13/83/784471383.db2.gz PGLSEZLJAPBTTL-CQSZACIVSA-N 1 2 340.387 0.963 20 30 ECEDLO N#Cc1cc(C(=O)N2CCC[C@@H](NC(=O)CCc3c[nH+]c[nH]3)C2)c[nH]1 ZINC001070636240 784471388 /nfs/dbraw/zinc/47/13/88/784471388.db2.gz PGLSEZLJAPBTTL-CQSZACIVSA-N 1 2 340.387 0.963 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2CCCOCC2)C[C@H]1NCC#N ZINC001070643325 784485630 /nfs/dbraw/zinc/48/56/30/784485630.db2.gz VXLXVIWEPKYBIV-RRFJBIMHSA-N 1 2 331.420 0.644 20 30 ECEDLO Cc1ncn(C)c1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070658313 784511440 /nfs/dbraw/zinc/51/14/40/784511440.db2.gz DOEIPSCNIPOVDW-CHWSQXEVSA-N 1 2 327.392 0.183 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CCc2cccnc2)C[C@H]1NCC#N ZINC001070664385 784521418 /nfs/dbraw/zinc/52/14/18/784521418.db2.gz OBCLFTUIANMSMN-HZPDHXFCSA-N 1 2 338.415 0.855 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CCc2cncnc2)C[C@H]1NCC#N ZINC001070668331 784525659 /nfs/dbraw/zinc/52/56/59/784525659.db2.gz OVPZOYLREMXEHS-HUUCEWRRSA-N 1 2 339.403 0.250 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001071084161 784526438 /nfs/dbraw/zinc/52/64/38/784526438.db2.gz GQLBPIVDTDYPMI-HUUCEWRRSA-N 1 2 346.431 0.498 20 30 ECEDLO C[C@@H](C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1)c1cncnc1 ZINC001070682039 784545518 /nfs/dbraw/zinc/54/55/18/784545518.db2.gz GUXUWCFQDUPLAJ-BPLDGKMQSA-N 1 2 339.403 0.421 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H](C)O[C@@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001071171806 784654416 /nfs/dbraw/zinc/65/44/16/784654416.db2.gz RXMFQUADZULTCI-MEDUHNTESA-N 1 2 343.855 0.942 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H](C)O[C@@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001071171806 784654418 /nfs/dbraw/zinc/65/44/18/784654418.db2.gz RXMFQUADZULTCI-MEDUHNTESA-N 1 2 343.855 0.942 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)C1(C(N)=O)CC1)C[C@@H](C)O2 ZINC001071203803 784728293 /nfs/dbraw/zinc/72/82/93/784728293.db2.gz HXAMGAJRVGFMOK-IUODEOHRSA-N 1 2 341.839 0.696 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1(C(N)=O)CC1)C[C@@H](C)O2 ZINC001071203803 784728296 /nfs/dbraw/zinc/72/82/96/784728296.db2.gz HXAMGAJRVGFMOK-IUODEOHRSA-N 1 2 341.839 0.696 20 30 ECEDLO C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@]2(CCN(CC#N)C2)O1 ZINC001071226087 784784511 /nfs/dbraw/zinc/78/45/11/784784511.db2.gz UYHZKUGOZMOEMK-CXAGYDPISA-N 1 2 331.420 0.903 20 30 ECEDLO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]c(C)cc1=O)C[C@@H](C)O2 ZINC001071228203 784787683 /nfs/dbraw/zinc/78/76/83/784787683.db2.gz QWTSQEBPLPWLDW-KDOFPFPSSA-N 1 2 329.400 0.622 20 30 ECEDLO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]c(C)cc1=O)C[C@@H](C)O2 ZINC001071228203 784787693 /nfs/dbraw/zinc/78/76/93/784787693.db2.gz QWTSQEBPLPWLDW-KDOFPFPSSA-N 1 2 329.400 0.622 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1nnc[nH]1)C[C@@H](C)O2 ZINC001071231320 784794649 /nfs/dbraw/zinc/79/46/49/784794649.db2.gz OUIMDXYHSIVGON-IUODEOHRSA-N 1 2 339.827 0.792 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1nnc[nH]1)C[C@@H](C)O2 ZINC001071231320 784794656 /nfs/dbraw/zinc/79/46/56/784794656.db2.gz OUIMDXYHSIVGON-IUODEOHRSA-N 1 2 339.827 0.792 20 30 ECEDLO N#CCN1CCN([C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C(=O)C1 ZINC001071263793 784880745 /nfs/dbraw/zinc/88/07/45/784880745.db2.gz GCEFGVLURGMCEQ-AWEZNQCLSA-N 1 2 344.419 0.001 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@@H](OC)C3CC3)C2)C(=O)C1 ZINC001071264224 784884672 /nfs/dbraw/zinc/88/46/72/784884672.db2.gz QYFSMGLLFQXKMZ-WMZOPIPTSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@@H](OC)C3CC3)C2)C(=O)C1 ZINC001071264224 784884675 /nfs/dbraw/zinc/88/46/75/784884675.db2.gz QYFSMGLLFQXKMZ-WMZOPIPTSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3ccsn3)C2)C(=O)C1 ZINC001071267638 784894590 /nfs/dbraw/zinc/89/45/90/784894590.db2.gz NKBMHLLHEDJPHG-AWEZNQCLSA-N 1 2 346.456 0.915 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3ccsn3)C2)C(=O)C1 ZINC001071267638 784894598 /nfs/dbraw/zinc/89/45/98/784894598.db2.gz NKBMHLLHEDJPHG-AWEZNQCLSA-N 1 2 346.456 0.915 20 30 ECEDLO C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001071807640 785133487 /nfs/dbraw/zinc/13/34/87/785133487.db2.gz AOTFOGMONXOQFG-KGLIPLIRSA-N 1 2 334.420 0.518 20 30 ECEDLO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001071875152 785253674 /nfs/dbraw/zinc/25/36/74/785253674.db2.gz SCQCAEOCANLAHC-DOMZBBRYSA-N 1 2 340.387 0.750 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001071976404 785460460 /nfs/dbraw/zinc/46/04/60/785460460.db2.gz BOZAKYJRNPEPMR-OLZOCXBDSA-N 1 2 332.404 0.714 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001071976404 785460468 /nfs/dbraw/zinc/46/04/68/785460468.db2.gz BOZAKYJRNPEPMR-OLZOCXBDSA-N 1 2 332.404 0.714 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001071657617 785463046 /nfs/dbraw/zinc/46/30/46/785463046.db2.gz GGYUWMYRIZJAIV-KGLIPLIRSA-N 1 2 349.460 0.883 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(=O)NC3CC3)C2)cn1 ZINC001072001560 785507479 /nfs/dbraw/zinc/50/74/79/785507479.db2.gz FAUXYTGNRCHMSJ-DYVFJYSZSA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(=O)NC3CC3)C2)cn1 ZINC001072001560 785507483 /nfs/dbraw/zinc/50/74/83/785507483.db2.gz FAUXYTGNRCHMSJ-DYVFJYSZSA-N 1 2 340.427 0.924 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CC[C@@H]1C ZINC001072069742 785616388 /nfs/dbraw/zinc/61/63/88/785616388.db2.gz LEAANJCVBGHGGX-WDEREUQCSA-N 1 2 340.811 0.821 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CC[C@@H]1C ZINC001072069742 785616396 /nfs/dbraw/zinc/61/63/96/785616396.db2.gz LEAANJCVBGHGGX-WDEREUQCSA-N 1 2 340.811 0.821 20 30 ECEDLO C[C@H]1CC[C@H](NC(=O)c2nnn(C)n2)C[N@@H+]1CC#Cc1ccccc1 ZINC001071746077 785628750 /nfs/dbraw/zinc/62/87/50/785628750.db2.gz WLPSUBODUBWLTF-HOCLYGCPSA-N 1 2 338.415 0.845 20 30 ECEDLO C[C@H]1CC[C@H](NC(=O)c2nnn(C)n2)C[N@H+]1CC#Cc1ccccc1 ZINC001071746077 785628753 /nfs/dbraw/zinc/62/87/53/785628753.db2.gz WLPSUBODUBWLTF-HOCLYGCPSA-N 1 2 338.415 0.845 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC[C@@H]1C ZINC001072098578 785666720 /nfs/dbraw/zinc/66/67/20/785666720.db2.gz CKUIVEMSRBEGQO-WDEREUQCSA-N 1 2 340.815 0.099 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cn(CC(N)=O)nn2)CC[C@@H]1C ZINC001072098578 785666725 /nfs/dbraw/zinc/66/67/25/785666725.db2.gz CKUIVEMSRBEGQO-WDEREUQCSA-N 1 2 340.815 0.099 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC[C@@H]1C ZINC001072098577 785666806 /nfs/dbraw/zinc/66/68/06/785666806.db2.gz CKUIVEMSRBEGQO-QWRGUYRKSA-N 1 2 340.815 0.099 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC[C@@H]1C ZINC001072098577 785666812 /nfs/dbraw/zinc/66/68/12/785666812.db2.gz CKUIVEMSRBEGQO-QWRGUYRKSA-N 1 2 340.815 0.099 20 30 ECEDLO C=CCCOCC(=O)N1C[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC001072335084 786040572 /nfs/dbraw/zinc/04/05/72/786040572.db2.gz AOJMYXAVSKYSBC-ZFWWWQNUSA-N 1 2 334.420 0.518 20 30 ECEDLO C=CCCOCC(=O)N1C[C@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001072337840 786043125 /nfs/dbraw/zinc/04/31/25/786043125.db2.gz XLJMKUOKZRAQOG-LSDHHAIUSA-N 1 2 348.447 0.909 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)C(=O)Nc1ncccn1)C2 ZINC001072553270 786357634 /nfs/dbraw/zinc/35/76/34/786357634.db2.gz WZOCXSBIATUOBI-STQMWFEESA-N 1 2 342.403 0.498 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@H+]([C@@H](C)C(=O)Nc1ncccn1)C2 ZINC001072553270 786357640 /nfs/dbraw/zinc/35/76/40/786357640.db2.gz WZOCXSBIATUOBI-STQMWFEESA-N 1 2 342.403 0.498 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3ccncn3)C[C@H]21 ZINC001074259296 786533753 /nfs/dbraw/zinc/53/37/53/786533753.db2.gz LEGGJUWIHUZYGV-IAGOWNOFSA-N 1 2 328.416 0.734 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3ccncn3)C[C@H]21 ZINC001074259296 786533759 /nfs/dbraw/zinc/53/37/59/786533759.db2.gz LEGGJUWIHUZYGV-IAGOWNOFSA-N 1 2 328.416 0.734 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCc3ccn(C)n3)C[C@@H]21 ZINC001074260097 786536007 /nfs/dbraw/zinc/53/60/07/786536007.db2.gz SUVITEUGHARNRE-IRXDYDNUSA-N 1 2 330.432 0.678 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCc3ccn(C)n3)C[C@@H]21 ZINC001074260097 786536013 /nfs/dbraw/zinc/53/60/13/786536013.db2.gz SUVITEUGHARNRE-IRXDYDNUSA-N 1 2 330.432 0.678 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc4n(n3)CCO4)C[C@@H]21 ZINC001074266325 786545842 /nfs/dbraw/zinc/54/58/42/786545842.db2.gz IOQAPWJEYBDRSY-GJZGRUSLSA-N 1 2 330.388 0.214 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc4n(n3)CCO4)C[C@@H]21 ZINC001074266325 786545845 /nfs/dbraw/zinc/54/58/45/786545845.db2.gz IOQAPWJEYBDRSY-GJZGRUSLSA-N 1 2 330.388 0.214 20 30 ECEDLO C=CCCC(=O)N1CCN(C2CN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001073551144 786562567 /nfs/dbraw/zinc/56/25/67/786562567.db2.gz BXXCNNRCAOYNRY-UHFFFAOYSA-N 1 2 331.420 0.273 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CN3CCCNC3=O)C[C@H]21 ZINC001074283223 786585701 /nfs/dbraw/zinc/58/57/01/786585701.db2.gz AEPGVLACBDBESM-HUUCEWRRSA-N 1 2 336.436 0.280 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CN3CCCNC3=O)C[C@H]21 ZINC001074283223 786585709 /nfs/dbraw/zinc/58/57/09/786585709.db2.gz AEPGVLACBDBESM-HUUCEWRRSA-N 1 2 336.436 0.280 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CN3CCCCC3=O)C[C@H]21 ZINC001074285239 786593981 /nfs/dbraw/zinc/59/39/81/786593981.db2.gz XQUQMRRAKKERLL-CVEARBPZSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CN3CCCCC3=O)C[C@H]21 ZINC001074285239 786593988 /nfs/dbraw/zinc/59/39/88/786593988.db2.gz XQUQMRRAKKERLL-CVEARBPZSA-N 1 2 333.432 0.324 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2nnn(C)c2C)C1 ZINC001073562417 786611173 /nfs/dbraw/zinc/61/11/73/786611173.db2.gz TXRACXRZCJKYNY-GFCCVEGCSA-N 1 2 327.816 0.697 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2nnn(C)c2C)C1 ZINC001073562417 786611178 /nfs/dbraw/zinc/61/11/78/786611178.db2.gz TXRACXRZCJKYNY-GFCCVEGCSA-N 1 2 327.816 0.697 20 30 ECEDLO N#CCN1CCO[C@H]2CCN(C(=O)c3cccc4[nH+]ccn43)C[C@H]21 ZINC001074295534 786619165 /nfs/dbraw/zinc/61/91/65/786619165.db2.gz ZLJWVHORFOXPTE-CABCVRRESA-N 1 2 325.372 0.773 20 30 ECEDLO C=C(C)CCC(=O)N1CC(N2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001073593877 786725308 /nfs/dbraw/zinc/72/53/08/786725308.db2.gz BSSTXVRFPHOTHM-UHFFFAOYSA-N 1 2 345.447 0.664 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)nc3)C[C@@H]21 ZINC001074419044 786924549 /nfs/dbraw/zinc/92/45/49/786924549.db2.gz DSACMXNDZMQCNQ-JKSUJKDBSA-N 1 2 342.399 0.119 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)nc3)C[C@@H]21 ZINC001074419044 786924555 /nfs/dbraw/zinc/92/45/55/786924555.db2.gz DSACMXNDZMQCNQ-JKSUJKDBSA-N 1 2 342.399 0.119 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(CC)n(C)n3)C[C@@H]21 ZINC001074419601 786929402 /nfs/dbraw/zinc/92/94/02/786929402.db2.gz OIPIGKNLJZQKKH-DLBZAZTESA-N 1 2 330.432 0.921 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(CC)n(C)n3)C[C@@H]21 ZINC001074419601 786929408 /nfs/dbraw/zinc/92/94/08/786929408.db2.gz OIPIGKNLJZQKKH-DLBZAZTESA-N 1 2 330.432 0.921 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001073736187 787084561 /nfs/dbraw/zinc/08/45/61/787084561.db2.gz LLMXNDQJDQZAKP-QWHCGFSZSA-N 1 2 329.828 0.567 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001073736187 787084573 /nfs/dbraw/zinc/08/45/73/787084573.db2.gz LLMXNDQJDQZAKP-QWHCGFSZSA-N 1 2 329.828 0.567 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001073766525 787161755 /nfs/dbraw/zinc/16/17/55/787161755.db2.gz HUMJRLBEWYIHIU-NSHDSACASA-N 1 2 340.811 0.687 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001073766525 787161757 /nfs/dbraw/zinc/16/17/57/787161757.db2.gz HUMJRLBEWYIHIU-NSHDSACASA-N 1 2 340.811 0.687 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001073819516 787262110 /nfs/dbraw/zinc/26/21/10/787262110.db2.gz FOMWDTSPIPPBHP-GJZGRUSLSA-N 1 2 348.447 0.909 20 30 ECEDLO CC#CCCCC(=O)NCC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001074631858 787452994 /nfs/dbraw/zinc/45/29/94/787452994.db2.gz JGTLAXKFAZTRND-UHFFFAOYSA-N 1 2 346.431 0.546 20 30 ECEDLO C#CCCCCC(=O)NCC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001074632054 787453780 /nfs/dbraw/zinc/45/37/80/787453780.db2.gz RZDKTGAQYQZCBN-UHFFFAOYSA-N 1 2 346.431 0.546 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001073901756 787482829 /nfs/dbraw/zinc/48/28/29/787482829.db2.gz DOJDIVPKKUMVPX-KBPBESRZSA-N 1 2 343.855 0.814 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001073901756 787482830 /nfs/dbraw/zinc/48/28/30/787482830.db2.gz DOJDIVPKKUMVPX-KBPBESRZSA-N 1 2 343.855 0.814 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1NC(=O)C#CC1CC1 ZINC001073949910 787569161 /nfs/dbraw/zinc/56/91/61/787569161.db2.gz XOUZIFYKWJTNTP-CJNGLKHVSA-N 1 2 328.416 0.729 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC(O)(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001074680376 787576768 /nfs/dbraw/zinc/57/67/68/787576768.db2.gz UEBBMPSXLPMICG-HUUCEWRRSA-N 1 2 348.447 0.811 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001074150596 787947673 /nfs/dbraw/zinc/94/76/73/787947673.db2.gz ZLJMOCJQECRQPQ-ZIAGYGMSSA-N 1 2 332.404 0.345 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001074990747 788678227 /nfs/dbraw/zinc/67/82/27/788678227.db2.gz KNSGJAHRPFGXSU-HUUCEWRRSA-N 1 2 346.431 0.878 20 30 ECEDLO C#CC[NH2+][C@H]1CCO[C@H](C2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001075397172 789323719 /nfs/dbraw/zinc/32/37/19/789323719.db2.gz IPGIBPSDSJRPDN-GJZGRUSLSA-N 1 2 331.420 0.356 20 30 ECEDLO CC1(NC(=O)CSCC#N)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001073276578 789691372 /nfs/dbraw/zinc/69/13/72/789691372.db2.gz WOMBBJINXYMZGQ-UHFFFAOYSA-N 1 2 335.433 0.706 20 30 ECEDLO N#Cc1ccc(N2CC[C@@]3(NC(=O)Cn4cc[nH+]c4)CCC[C@H]23)nn1 ZINC001069269395 789721122 /nfs/dbraw/zinc/72/11/22/789721122.db2.gz VMVGMZQJVULIDH-YOEHRIQHSA-N 1 2 337.387 0.863 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC001073393386 789785075 /nfs/dbraw/zinc/78/50/75/789785075.db2.gz IWGUFUUCUXDMSR-HNNXBMFYSA-N 1 2 346.431 0.735 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1C[C@@H](Nc2nccnc2C#N)C(C)(C)C1 ZINC001069577471 789914080 /nfs/dbraw/zinc/91/40/80/789914080.db2.gz IMIFMZTXLLEQMT-CQSZACIVSA-N 1 2 339.403 0.973 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC1(CC)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001069646766 789947842 /nfs/dbraw/zinc/94/78/42/789947842.db2.gz SBYZPSROSNEOBI-CQSZACIVSA-N 1 2 346.431 0.878 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001069732192 789993664 /nfs/dbraw/zinc/99/36/64/789993664.db2.gz HIJZHUVQCVITBO-SFHVURJKSA-N 1 2 346.431 0.927 20 30 ECEDLO C#CC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)c3[nH]ncc3F)n2)C1 ZINC001069840295 790073597 /nfs/dbraw/zinc/07/35/97/790073597.db2.gz WWASRWMNEIWMOR-CYBMUJFWSA-N 1 2 342.378 0.675 20 30 ECEDLO CO[C@@H](C)C[N@@H+]1CCn2ncc(CNC(=O)c3ccc(C#N)[nH]3)c2C1 ZINC001069857635 790107626 /nfs/dbraw/zinc/10/76/26/790107626.db2.gz DNVSVMHTRSEMKX-LBPRGKRZSA-N 1 2 342.403 0.863 20 30 ECEDLO CO[C@@H](C)C[N@H+]1CCn2ncc(CNC(=O)c3ccc(C#N)[nH]3)c2C1 ZINC001069857635 790107629 /nfs/dbraw/zinc/10/76/29/790107629.db2.gz DNVSVMHTRSEMKX-LBPRGKRZSA-N 1 2 342.403 0.863 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3cnn(C)c3OC)c2C1 ZINC001069881366 790146253 /nfs/dbraw/zinc/14/62/53/790146253.db2.gz ARMUXDAQZQLRNB-UHFFFAOYSA-N 1 2 344.419 0.947 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3cnn(C)c3OC)c2C1 ZINC001069881366 790146254 /nfs/dbraw/zinc/14/62/54/790146254.db2.gz ARMUXDAQZQLRNB-UHFFFAOYSA-N 1 2 344.419 0.947 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](NC(C)=O)[C@@H](n3ccnn3)C2)cc1C#N ZINC001069884279 790150767 /nfs/dbraw/zinc/15/07/67/790150767.db2.gz BUZMSEYGWYZPJQ-CVEARBPZSA-N 1 2 340.387 0.720 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](NC(C)=O)[C@@H](n3ccnn3)C2)cc1C#N ZINC001069884279 790150770 /nfs/dbraw/zinc/15/07/70/790150770.db2.gz BUZMSEYGWYZPJQ-CVEARBPZSA-N 1 2 340.387 0.720 20 30 ECEDLO CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1n1ccnn1 ZINC001069884414 790151114 /nfs/dbraw/zinc/15/11/14/790151114.db2.gz JMJAWLJKNUSIKN-SJORKVTESA-N 1 2 327.363 0.830 20 30 ECEDLO CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1n1ccnn1 ZINC001069884414 790151116 /nfs/dbraw/zinc/15/11/16/790151116.db2.gz JMJAWLJKNUSIKN-SJORKVTESA-N 1 2 327.363 0.830 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cncc(F)c2)[C@@H](n2ccnn2)C1 ZINC001069906758 790175608 /nfs/dbraw/zinc/17/56/08/790175608.db2.gz DCNWUSVYUZPJGE-CABCVRRESA-N 1 2 328.351 0.491 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cncc(F)c2)[C@@H](n2ccnn2)C1 ZINC001069906758 790175610 /nfs/dbraw/zinc/17/56/10/790175610.db2.gz DCNWUSVYUZPJGE-CABCVRRESA-N 1 2 328.351 0.491 20 30 ECEDLO C#CCN1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H](n2ccnn2)C1 ZINC001069927134 790198704 /nfs/dbraw/zinc/19/87/04/790198704.db2.gz LIBHDIZAMNLIRM-CVEARBPZSA-N 1 2 349.398 0.523 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c(Cl)cnn2C)[C@@H](n2ccnn2)C1 ZINC001069929093 790201313 /nfs/dbraw/zinc/20/13/13/790201313.db2.gz UUSSHPBTXUHPOP-OLZOCXBDSA-N 1 2 347.810 0.344 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c(Cl)cnn2C)[C@@H](n2ccnn2)C1 ZINC001069929093 790201315 /nfs/dbraw/zinc/20/13/15/790201315.db2.gz UUSSHPBTXUHPOP-OLZOCXBDSA-N 1 2 347.810 0.344 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C3CC3)cnn2C)[C@@H](n2ccnn2)C1 ZINC001069944534 790222138 /nfs/dbraw/zinc/22/21/38/790222138.db2.gz VIJBBYWNBMTCNL-CABCVRRESA-N 1 2 339.403 0.178 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C3CC3)cnn2C)[C@@H](n2ccnn2)C1 ZINC001069944534 790222139 /nfs/dbraw/zinc/22/21/39/790222139.db2.gz VIJBBYWNBMTCNL-CABCVRRESA-N 1 2 339.403 0.178 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001068838440 791233599 /nfs/dbraw/zinc/23/35/99/791233599.db2.gz GVQKETQHRLLEDO-HNNXBMFYSA-N 1 2 344.415 0.632 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001068838440 791233610 /nfs/dbraw/zinc/23/36/10/791233610.db2.gz GVQKETQHRLLEDO-HNNXBMFYSA-N 1 2 344.415 0.632 20 30 ECEDLO C[C@@H]1[C@H](Nc2cncc(C#N)n2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001068872978 791316286 /nfs/dbraw/zinc/31/62/86/791316286.db2.gz UJRVXAHCHFCSOU-BXUZGUMPSA-N 1 2 325.376 0.726 20 30 ECEDLO C=CCOCC(=O)N1CC2(C1)C[C@H](NC(=O)CCc1c[nH]c[nH+]1)CO2 ZINC001068905123 791384910 /nfs/dbraw/zinc/38/49/10/791384910.db2.gz FSLWGGOQOQPZBR-AWEZNQCLSA-N 1 2 348.403 0.031 20 30 ECEDLO C=CCOCC(=O)N1CC2(C1)C[C@H](NC(=O)CCc1c[nH+]c[nH]1)CO2 ZINC001068905123 791384912 /nfs/dbraw/zinc/38/49/12/791384912.db2.gz FSLWGGOQOQPZBR-AWEZNQCLSA-N 1 2 348.403 0.031 20 30 ECEDLO C=CCCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CO2 ZINC001068913444 791407073 /nfs/dbraw/zinc/40/70/73/791407073.db2.gz RKLOGRJMPOLGSO-BFHYXJOUSA-N 1 2 344.415 0.966 20 30 ECEDLO C=CCCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CO2 ZINC001068913444 791407078 /nfs/dbraw/zinc/40/70/78/791407078.db2.gz RKLOGRJMPOLGSO-BFHYXJOUSA-N 1 2 344.415 0.966 20 30 ECEDLO C#CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)CO2 ZINC001069060189 791666858 /nfs/dbraw/zinc/66/68/58/791666858.db2.gz WOPVPEBABBTRNS-CQSZACIVSA-N 1 2 330.388 0.242 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](Nc2ccnc(C#N)n2)C[C@H]1C ZINC001069129308 791727007 /nfs/dbraw/zinc/72/70/07/791727007.db2.gz HBACVMIKIFXPHA-PWSUYJOCSA-N 1 2 325.376 0.446 20 30 ECEDLO N#Cc1nccnc1N1CC[NH+]([C@@H]2CCN(C(=O)C3CCC3)C2)CC1 ZINC001066694127 792008517 /nfs/dbraw/zinc/00/85/17/792008517.db2.gz KOGBHMWRLZZKFA-OAHLLOKOSA-N 1 2 340.431 0.871 20 30 ECEDLO CO[C@H](C)C(=O)N1CC[C@H]([NH+]2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001066699009 792020125 /nfs/dbraw/zinc/02/01/25/792020125.db2.gz QXDLFQBTBCMHJT-HIFRSBDPSA-N 1 2 344.419 0.106 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1)c1ccc(C#N)nn1 ZINC001067802898 792307782 /nfs/dbraw/zinc/30/77/82/792307782.db2.gz OUYDYXZUZWRZNT-AWEZNQCLSA-N 1 2 325.376 0.741 20 30 ECEDLO N#Cc1nccc(N[C@]2(CO)CCCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC001066908588 792350122 /nfs/dbraw/zinc/35/01/22/792350122.db2.gz IHWFMNBXQPZVMZ-MRXNPFEDSA-N 1 2 341.375 0.010 20 30 ECEDLO N#Cc1ccc(N[C@]2(CO)CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC001066923398 792394312 /nfs/dbraw/zinc/39/43/12/792394312.db2.gz JSHDBKCHPGOVHA-MRXNPFEDSA-N 1 2 341.375 0.079 20 30 ECEDLO C[C@H]1CCN(c2ccc(C#N)nn2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067966174 792518640 /nfs/dbraw/zinc/51/86/40/792518640.db2.gz WMJMZSNLOLSXBW-GXTWGEPZSA-N 1 2 325.376 0.576 20 30 ECEDLO C[C@@H]1CCN(c2cnc(C#N)cn2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067966482 792519468 /nfs/dbraw/zinc/51/94/68/792519468.db2.gz XNWFJCKFZMWLGR-TZMCWYRMSA-N 1 2 325.376 0.576 20 30 ECEDLO C[C@H]1CCN(c2cnc(C#N)cn2)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067994707 792554441 /nfs/dbraw/zinc/55/44/41/792554441.db2.gz YLHIBCPPEKNJCJ-SMDDNHRTSA-N 1 2 325.376 0.645 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)CC1(C)C ZINC001068115119 792696274 /nfs/dbraw/zinc/69/62/74/792696274.db2.gz DBIWZDTUOHNHRJ-CQSZACIVSA-N 1 2 339.403 0.655 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CN(c2ccc(C#N)nn2)CC1(C)C ZINC001068118488 792702958 /nfs/dbraw/zinc/70/29/58/792702958.db2.gz WRLVSUTZROVAJS-AWEZNQCLSA-N 1 2 339.403 0.954 20 30 ECEDLO Cc1cc(C#N)nc(N2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)C2)n1 ZINC001068119560 792704391 /nfs/dbraw/zinc/70/43/91/792704391.db2.gz QFTGSVNEPFQJAA-CYBMUJFWSA-N 1 2 339.403 0.954 20 30 ECEDLO Cc1cc(N[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)c(C#N)cn1 ZINC001067122666 792720329 /nfs/dbraw/zinc/72/03/29/792720329.db2.gz HAFLDODQFNJZTA-YVEFUNNKSA-N 1 2 338.415 0.919 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1Nc1cnc(C#N)cn1 ZINC001067217736 792832170 /nfs/dbraw/zinc/83/21/70/792832170.db2.gz LQZYJPWULNZOSK-RISCZKNCSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1Nc1cnc(C#N)cn1 ZINC001067217736 792832181 /nfs/dbraw/zinc/83/21/81/792832181.db2.gz LQZYJPWULNZOSK-RISCZKNCSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1Nc1nccnc1C#N ZINC001067218180 792833588 /nfs/dbraw/zinc/83/35/88/792833588.db2.gz RGXNKCAEODCALB-FZMZJTMJSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1Nc1nccnc1C#N ZINC001067218180 792833597 /nfs/dbraw/zinc/83/35/97/792833597.db2.gz RGXNKCAEODCALB-FZMZJTMJSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@@H](Nc1ccc(C#N)cn1)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001068246245 792928758 /nfs/dbraw/zinc/92/87/58/792928758.db2.gz VLXYFYXRUNOFTB-IUODEOHRSA-N 1 2 340.387 0.947 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001067292693 792945904 /nfs/dbraw/zinc/94/59/04/792945904.db2.gz VFCDYGHIEUOXAL-QGZVFWFLSA-N 1 2 336.436 0.976 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(c2cncc(C#N)n2)C[C@H]1C ZINC001067408468 793114076 /nfs/dbraw/zinc/11/40/76/793114076.db2.gz UOHRMKYXDJFSER-BXUZGUMPSA-N 1 2 339.403 0.954 20 30 ECEDLO C[C@H]1C[C@@H](CNc2ccc(C#N)nn2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001068375860 793150991 /nfs/dbraw/zinc/15/09/91/793150991.db2.gz NHFDCOMZEMHFLG-RYUDHWBXSA-N 1 2 325.376 0.963 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)CCO2 ZINC001068442039 793320558 /nfs/dbraw/zinc/32/05/58/793320558.db2.gz MTJFGXMBBLPMAS-KBPBESRZSA-N 1 2 346.431 0.850 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)c2ccn(C)n2)C1 ZINC001267496394 837567844 /nfs/dbraw/zinc/56/78/44/837567844.db2.gz RZMZPEDQCXOZES-AWEZNQCLSA-N 1 2 331.420 0.096 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccn(C)n2)C1 ZINC001267496394 837567854 /nfs/dbraw/zinc/56/78/54/837567854.db2.gz RZMZPEDQCXOZES-AWEZNQCLSA-N 1 2 331.420 0.096 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cnc(C)cn2)C1 ZINC001267540217 837725746 /nfs/dbraw/zinc/72/57/46/837725746.db2.gz UGAGVYOCQUZVME-HNNXBMFYSA-N 1 2 343.431 0.461 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cnc(C)cn2)C1 ZINC001267540217 837725749 /nfs/dbraw/zinc/72/57/49/837725749.db2.gz UGAGVYOCQUZVME-HNNXBMFYSA-N 1 2 343.431 0.461 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)c2nc(C)oc2C)C1 ZINC001267546718 837741704 /nfs/dbraw/zinc/74/17/04/837741704.db2.gz CMFGNXLZDNSVQY-HNNXBMFYSA-N 1 2 346.431 0.967 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2nc(C)oc2C)C1 ZINC001267546718 837741711 /nfs/dbraw/zinc/74/17/11/837741711.db2.gz CMFGNXLZDNSVQY-HNNXBMFYSA-N 1 2 346.431 0.967 20 30 ECEDLO CC(C)C#CC(=O)N(C)CC[NH+]1CCN(Cc2ncccn2)CC1 ZINC001267572806 837810709 /nfs/dbraw/zinc/81/07/09/837810709.db2.gz XZNINLUIFFQCCP-UHFFFAOYSA-N 1 2 329.448 0.712 20 30 ECEDLO C#CCN1CC[NH+](CCN(C)C(=O)c2cnn(CCOC)c2C)CC1 ZINC001267572755 837811059 /nfs/dbraw/zinc/81/10/59/837811059.db2.gz WJTQPFPFHLUHKT-UHFFFAOYSA-N 1 2 347.463 0.161 20 30 ECEDLO COc1ccc(OCC(=O)N(C)CC[NH+]2CCN(CC#N)CC2)cc1 ZINC001267575335 837826474 /nfs/dbraw/zinc/82/64/74/837826474.db2.gz BIYJJUUDLGTTDH-UHFFFAOYSA-N 1 2 346.431 0.674 20 30 ECEDLO CC#CC[NH+]1CCN(CCCNC(=O)c2cccnc2OC)CC1 ZINC001266271478 835592524 /nfs/dbraw/zinc/59/25/24/835592524.db2.gz KZWPLNAXGUPEPD-UHFFFAOYSA-N 1 2 330.432 0.851 20 30 ECEDLO Cn1cc(C[NH+]2CCN(CCNC(=O)C#CC(C)(C)C)CC2)cn1 ZINC001266283281 835614324 /nfs/dbraw/zinc/61/43/24/835614324.db2.gz KZKMITMRANRTIJ-UHFFFAOYSA-N 1 2 331.464 0.703 20 30 ECEDLO C=C(C)C[NH+]1CCN(CCNC(=O)C(C)(C)S(C)(=O)=O)CC1 ZINC001266294587 835640941 /nfs/dbraw/zinc/64/09/41/835640941.db2.gz DFKFOKUGGPMQEQ-UHFFFAOYSA-N 1 2 331.482 0.120 20 30 ECEDLO CC(C)C#CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC001266319406 835688947 /nfs/dbraw/zinc/68/89/47/835688947.db2.gz LMWDDOGIBRCHNE-INIZCTEOSA-N 1 2 345.447 0.228 20 30 ECEDLO CC(C)C#CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC001266319406 835688952 /nfs/dbraw/zinc/68/89/52/835688952.db2.gz LMWDDOGIBRCHNE-INIZCTEOSA-N 1 2 345.447 0.228 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2ccc(C(F)F)n2)C1 ZINC001266323187 835698884 /nfs/dbraw/zinc/69/88/84/835698884.db2.gz WKCLPPUUBJGBFD-NSHDSACASA-N 1 2 341.362 0.313 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2ccc(C(F)F)n2)C1 ZINC001266323187 835698888 /nfs/dbraw/zinc/69/88/88/835698888.db2.gz WKCLPPUUBJGBFD-NSHDSACASA-N 1 2 341.362 0.313 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cc(C)nnc2CC)C1 ZINC001266327466 835708219 /nfs/dbraw/zinc/70/82/19/835708219.db2.gz FZIMNKXTDUCIKL-KBPBESRZSA-N 1 2 345.447 0.842 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cc(C)nnc2CC)C1 ZINC001266327466 835708223 /nfs/dbraw/zinc/70/82/23/835708223.db2.gz FZIMNKXTDUCIKL-KBPBESRZSA-N 1 2 345.447 0.842 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C2CCOCC2)C1 ZINC001266330446 835712010 /nfs/dbraw/zinc/71/20/10/835712010.db2.gz DQKXSAUMSFTYLB-HNNXBMFYSA-N 1 2 337.464 0.932 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CCOCC2)C1 ZINC001266330446 835712016 /nfs/dbraw/zinc/71/20/16/835712016.db2.gz DQKXSAUMSFTYLB-HNNXBMFYSA-N 1 2 337.464 0.932 20 30 ECEDLO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](CCNS(C)(=O)=O)C2)CCC1 ZINC001266341254 835727214 /nfs/dbraw/zinc/72/72/14/835727214.db2.gz DDFAPPDWRSDACP-CYBMUJFWSA-N 1 2 329.466 0.473 20 30 ECEDLO C=CCC1(C(=O)N[C@@H]2CC[N@H+](CCNS(C)(=O)=O)C2)CCC1 ZINC001266341254 835727216 /nfs/dbraw/zinc/72/72/16/835727216.db2.gz DDFAPPDWRSDACP-CYBMUJFWSA-N 1 2 329.466 0.473 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cnc(C3CC3)nc2)C1 ZINC001266344584 835733429 /nfs/dbraw/zinc/73/34/29/835733429.db2.gz JICKHZSPSSWLBR-WFASDCNBSA-N 1 2 343.431 0.849 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cnc(C3CC3)nc2)C1 ZINC001266344584 835733435 /nfs/dbraw/zinc/73/34/35/835733435.db2.gz JICKHZSPSSWLBR-WFASDCNBSA-N 1 2 343.431 0.849 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(OC)cc2Cl)C1 ZINC001266346553 835736733 /nfs/dbraw/zinc/73/67/33/835736733.db2.gz CWHHAVDSSMOQCK-GFCCVEGCSA-N 1 2 349.818 0.902 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(OC)cc2Cl)C1 ZINC001266346553 835736740 /nfs/dbraw/zinc/73/67/40/835736740.db2.gz CWHHAVDSSMOQCK-GFCCVEGCSA-N 1 2 349.818 0.902 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccnc(OC(C)C)c2)C1 ZINC001266352476 835752690 /nfs/dbraw/zinc/75/26/90/835752690.db2.gz BYSCYGXHQQDUQU-HNNXBMFYSA-N 1 2 344.415 0.422 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccnc(OC(C)C)c2)C1 ZINC001266352476 835752694 /nfs/dbraw/zinc/75/26/94/835752694.db2.gz BYSCYGXHQQDUQU-HNNXBMFYSA-N 1 2 344.415 0.422 20 30 ECEDLO C[C@H](Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001266360976 835771241 /nfs/dbraw/zinc/77/12/41/835771241.db2.gz GUSVZXJBHQLDJK-GDBMZVCRSA-N 1 2 328.416 0.695 20 30 ECEDLO C[C@H](Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001266360976 835771247 /nfs/dbraw/zinc/77/12/47/835771247.db2.gz GUSVZXJBHQLDJK-GDBMZVCRSA-N 1 2 328.416 0.695 20 30 ECEDLO CCCN(C(=O)CC(C)(C)O)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC001266386651 835797318 /nfs/dbraw/zinc/79/73/18/835797318.db2.gz MXWFVQJLYUHDLQ-UHFFFAOYSA-N 1 2 338.452 0.490 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C(F)F ZINC001266444343 835848591 /nfs/dbraw/zinc/84/85/91/835848591.db2.gz YZFBPRXOSVTYJI-ZJUUUORDSA-N 1 2 332.351 0.232 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)C(F)F ZINC001266444343 835848598 /nfs/dbraw/zinc/84/85/98/835848598.db2.gz YZFBPRXOSVTYJI-ZJUUUORDSA-N 1 2 332.351 0.232 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1scnc1C ZINC001266447754 835851397 /nfs/dbraw/zinc/85/13/97/835851397.db2.gz ZCYFGQBJODNHBM-STQMWFEESA-N 1 2 334.445 0.784 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1scnc1C ZINC001266447754 835851402 /nfs/dbraw/zinc/85/14/02/835851402.db2.gz ZCYFGQBJODNHBM-STQMWFEESA-N 1 2 334.445 0.784 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1scnc1C ZINC001266447753 835851623 /nfs/dbraw/zinc/85/16/23/835851623.db2.gz ZCYFGQBJODNHBM-QWHCGFSZSA-N 1 2 334.445 0.784 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1scnc1C ZINC001266447753 835851631 /nfs/dbraw/zinc/85/16/31/835851631.db2.gz ZCYFGQBJODNHBM-QWHCGFSZSA-N 1 2 334.445 0.784 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)SC ZINC001266484174 835884236 /nfs/dbraw/zinc/88/42/36/835884236.db2.gz QZGLRIOPOQLGJV-ZQDZILKHSA-N 1 2 337.489 0.941 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)SC ZINC001266484174 835884245 /nfs/dbraw/zinc/88/42/45/835884245.db2.gz QZGLRIOPOQLGJV-ZQDZILKHSA-N 1 2 337.489 0.941 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ncoc1C1CC1 ZINC001266488298 835888341 /nfs/dbraw/zinc/88/83/41/835888341.db2.gz GUNPAAWOIZHWEN-GFCCVEGCSA-N 1 2 331.376 0.386 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ncoc1C1CC1 ZINC001266488298 835888343 /nfs/dbraw/zinc/88/83/43/835888343.db2.gz GUNPAAWOIZHWEN-GFCCVEGCSA-N 1 2 331.376 0.386 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CCC[N@@H+](Cc2nnc(CC)o2)C1 ZINC001266749807 836239268 /nfs/dbraw/zinc/23/92/68/836239268.db2.gz MCOQRGZYVVKORN-ZIAGYGMSSA-N 1 2 334.420 0.999 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CCC[N@H+](Cc2nnc(CC)o2)C1 ZINC001266749807 836239275 /nfs/dbraw/zinc/23/92/75/836239275.db2.gz MCOQRGZYVVKORN-ZIAGYGMSSA-N 1 2 334.420 0.999 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+](Cc2nnc(CC)o2)C1 ZINC001266749806 836239455 /nfs/dbraw/zinc/23/94/55/836239455.db2.gz MCOQRGZYVVKORN-UONOGXRCSA-N 1 2 334.420 0.999 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CCC[N@H+](Cc2nnc(CC)o2)C1 ZINC001266749806 836239457 /nfs/dbraw/zinc/23/94/57/836239457.db2.gz MCOQRGZYVVKORN-UONOGXRCSA-N 1 2 334.420 0.999 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn[nH]n1 ZINC001266843993 836371657 /nfs/dbraw/zinc/37/16/57/836371657.db2.gz FDBYLMGSBFCDMP-CQSZACIVSA-N 1 2 348.451 0.814 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cn[nH]n1 ZINC001266843993 836371669 /nfs/dbraw/zinc/37/16/69/836371669.db2.gz FDBYLMGSBFCDMP-CQSZACIVSA-N 1 2 348.451 0.814 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[C@H]([NH2+]Cc2nc(CCOC)no2)C1 ZINC001267008912 836607694 /nfs/dbraw/zinc/60/76/94/836607694.db2.gz JGDLRNQBMKFHLT-LRDDRELGSA-N 1 2 338.408 0.276 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001299161496 836686315 /nfs/dbraw/zinc/68/63/15/836686315.db2.gz DMDARAGRJNIGHS-ZIAGYGMSSA-N 1 2 344.415 0.249 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cccc(-c2ncon2)c1 ZINC001267216283 837006727 /nfs/dbraw/zinc/00/67/27/837006727.db2.gz VLGGTAGTXKTHON-UHFFFAOYSA-N 1 2 343.387 0.700 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cccc(-c2ncon2)c1 ZINC001267216283 837006739 /nfs/dbraw/zinc/00/67/39/837006739.db2.gz VLGGTAGTXKTHON-UHFFFAOYSA-N 1 2 343.387 0.700 20 30 ECEDLO C[N@H+](CCNC(=O)c1cccc2cnccc21)CC(=O)NCC#N ZINC001267230111 837032779 /nfs/dbraw/zinc/03/27/79/837032779.db2.gz IGQFDPWEECSYBK-UHFFFAOYSA-N 1 2 325.372 0.536 20 30 ECEDLO C[N@@H+](CCNC(=O)c1cccc2cnccc21)CC(=O)NCC#N ZINC001267230111 837032787 /nfs/dbraw/zinc/03/27/87/837032787.db2.gz IGQFDPWEECSYBK-UHFFFAOYSA-N 1 2 325.372 0.536 20 30 ECEDLO CC(C)(C)n1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NCC#N)cn1 ZINC001267271656 837113373 /nfs/dbraw/zinc/11/33/73/837113373.db2.gz ZRCFIBXTSQZWOG-AWEZNQCLSA-N 1 2 346.435 0.472 20 30 ECEDLO CC(C)(C)n1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NCC#N)cn1 ZINC001267271656 837113381 /nfs/dbraw/zinc/11/33/81/837113381.db2.gz ZRCFIBXTSQZWOG-AWEZNQCLSA-N 1 2 346.435 0.472 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C2CC2)no1 ZINC001267278481 837124800 /nfs/dbraw/zinc/12/48/00/837124800.db2.gz LGQBEJBVJYOYFG-JSGCOSHPSA-N 1 2 344.415 0.884 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1cc(C2CC2)no1 ZINC001267278481 837124804 /nfs/dbraw/zinc/12/48/04/837124804.db2.gz LGQBEJBVJYOYFG-JSGCOSHPSA-N 1 2 344.415 0.884 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1coc(C2CCC2)n1 ZINC001267279590 837125187 /nfs/dbraw/zinc/12/51/87/837125187.db2.gz HSKJENAKCZUYMC-ZDUSSCGKSA-N 1 2 345.403 0.776 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1coc(C2CCC2)n1 ZINC001267279590 837125195 /nfs/dbraw/zinc/12/51/95/837125195.db2.gz HSKJENAKCZUYMC-ZDUSSCGKSA-N 1 2 345.403 0.776 20 30 ECEDLO C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)c2cccc3nn[nH]c32)C1=O ZINC001267376806 837288993 /nfs/dbraw/zinc/28/89/93/837288993.db2.gz OVJVTUXULIIVCK-CQSZACIVSA-N 1 2 342.403 0.406 20 30 ECEDLO CN(CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(=O)c1cc(C#N)c[nH]1 ZINC001408605245 837336013 /nfs/dbraw/zinc/33/60/13/837336013.db2.gz NDPCKJHUWMLFGG-CYBMUJFWSA-N 1 2 340.387 0.534 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2nc(N(C)C)no2)C1 ZINC001267583633 837852752 /nfs/dbraw/zinc/85/27/52/837852752.db2.gz UCVZGZCWKWLTCX-KBPBESRZSA-N 1 2 349.435 0.454 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2nc(N(C)C)no2)C1 ZINC001267583633 837852764 /nfs/dbraw/zinc/85/27/64/837852764.db2.gz UCVZGZCWKWLTCX-KBPBESRZSA-N 1 2 349.435 0.454 20 30 ECEDLO C=CCNC(=O)[C@H](C)N1CC[NH+](CCN(C)C(=O)C2=CCCC2)CC1 ZINC001267606220 837946557 /nfs/dbraw/zinc/94/65/57/837946557.db2.gz QKDXOGJNDUBRRZ-INIZCTEOSA-N 1 2 348.491 0.863 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(CCN(C)C(=O)C2=CCCC2)CC1 ZINC001267606220 837946560 /nfs/dbraw/zinc/94/65/60/837946560.db2.gz QKDXOGJNDUBRRZ-INIZCTEOSA-N 1 2 348.491 0.863 20 30 ECEDLO C#CCN1CC[NH+](CCN(C)C(=O)[C@H](OCC)[C@H]2CCOC2)CC1 ZINC001267608757 837959521 /nfs/dbraw/zinc/95/95/21/837959521.db2.gz BXTYAVKGTHIPRM-DLBZAZTESA-N 1 2 337.464 0.137 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@H]1CCc2cncn2C1 ZINC001267609099 837965288 /nfs/dbraw/zinc/96/52/88/837965288.db2.gz OYUZEGJIHMOUSM-HNNXBMFYSA-N 1 2 330.436 0.045 20 30 ECEDLO C[C@H](Oc1cccnc1)C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001267612697 837982229 /nfs/dbraw/zinc/98/22/29/837982229.db2.gz VDQBOQOLVFVTFU-HNNXBMFYSA-N 1 2 331.420 0.448 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cc(OC)ncn2)C1 ZINC001267613685 837986603 /nfs/dbraw/zinc/98/66/03/837986603.db2.gz PZURSELNJSBPFH-CHWSQXEVSA-N 1 2 347.419 0.370 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cc(OC)ncn2)C1 ZINC001267613685 837986616 /nfs/dbraw/zinc/98/66/16/837986616.db2.gz PZURSELNJSBPFH-CHWSQXEVSA-N 1 2 347.419 0.370 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)COc1ccc(F)cc1 ZINC001267618837 838052388 /nfs/dbraw/zinc/05/23/88/838052388.db2.gz SVYCRIVIXZBPGF-UHFFFAOYSA-N 1 2 334.395 0.804 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)c2n[nH]c(C)c2C)C1 ZINC001267623437 838065289 /nfs/dbraw/zinc/06/52/89/838065289.db2.gz ORJQCNNYTYROSK-KGLIPLIRSA-N 1 2 333.436 0.911 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2n[nH]c(C)c2C)C1 ZINC001267623437 838065302 /nfs/dbraw/zinc/06/53/02/838065302.db2.gz ORJQCNNYTYROSK-KGLIPLIRSA-N 1 2 333.436 0.911 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC1C[NH+](Cc2cn(C)nc2C(F)F)C1 ZINC001267681722 838240606 /nfs/dbraw/zinc/24/06/06/838240606.db2.gz PVIZRALUTPFDCO-LLVKDONJSA-N 1 2 340.374 0.944 20 30 ECEDLO C#CCNC(=O)CN1CC(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267686916 838250334 /nfs/dbraw/zinc/25/03/34/838250334.db2.gz WVQBGGQTHJAVON-MRXNPFEDSA-N 1 2 345.447 0.268 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2cc(C(C)C)on2)C1 ZINC001267686936 838250886 /nfs/dbraw/zinc/25/08/86/838250886.db2.gz UXKWSHCGUHFSOZ-LBPRGKRZSA-N 1 2 332.404 0.598 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2ccc(Cl)cn2)C1 ZINC001267697828 838287752 /nfs/dbraw/zinc/28/77/52/838287752.db2.gz QSGACIXJXTZWES-LLVKDONJSA-N 1 2 334.807 0.535 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@H](OC)c2ccc(F)cc2)C1 ZINC001267701416 838294611 /nfs/dbraw/zinc/29/46/11/838294611.db2.gz RMJRHDNCGHEAOD-QGZVFWFLSA-N 1 2 347.390 0.311 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@H](C)Oc2ccccc2)C1 ZINC001267699359 838294763 /nfs/dbraw/zinc/29/47/63/838294763.db2.gz YZHIEABDYPZMGG-GJZGRUSLSA-N 1 2 343.427 0.640 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@H](C)Oc2ccccc2)C1 ZINC001267699358 838294809 /nfs/dbraw/zinc/29/48/09/838294809.db2.gz YZHIEABDYPZMGG-CABCVRRESA-N 1 2 343.427 0.640 20 30 ECEDLO C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1C(=O)NC(C)(C)C1=O ZINC001267705763 838310787 /nfs/dbraw/zinc/31/07/87/838310787.db2.gz MQMSYCMCNUWNBP-KBPBESRZSA-N 1 2 348.447 0.958 20 30 ECEDLO C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1C(=O)NC(C)(C)C1=O ZINC001267705763 838310795 /nfs/dbraw/zinc/31/07/95/838310795.db2.gz MQMSYCMCNUWNBP-KBPBESRZSA-N 1 2 348.447 0.958 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(F)cn1 ZINC001267708318 838316198 /nfs/dbraw/zinc/31/61/98/838316198.db2.gz HSSMHONPDKTFJS-RCBQFDQVSA-N 1 2 344.390 0.186 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(F)cn1 ZINC001267708318 838316201 /nfs/dbraw/zinc/31/62/01/838316201.db2.gz HSSMHONPDKTFJS-RCBQFDQVSA-N 1 2 344.390 0.186 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c(C3CCC3)cnn2C)C1 ZINC001267724253 838385075 /nfs/dbraw/zinc/38/50/75/838385075.db2.gz WFCDIARJYNJZCG-AWEZNQCLSA-N 1 2 343.431 0.241 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c(C3CCC3)cnn2C)C1 ZINC001267724253 838385081 /nfs/dbraw/zinc/38/50/81/838385081.db2.gz WFCDIARJYNJZCG-AWEZNQCLSA-N 1 2 343.431 0.241 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001267734065 838427728 /nfs/dbraw/zinc/42/77/28/838427728.db2.gz RRVNOBPIRXIYQI-ZDUSSCGKSA-N 1 2 325.372 0.612 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001267734065 838427733 /nfs/dbraw/zinc/42/77/33/838427733.db2.gz RRVNOBPIRXIYQI-ZDUSSCGKSA-N 1 2 325.372 0.612 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ncccc2OC)C1 ZINC001267748391 838457793 /nfs/dbraw/zinc/45/77/93/838457793.db2.gz YCIKEOVMEBJVAN-CYBMUJFWSA-N 1 2 332.404 0.125 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ncccc2OC)C1 ZINC001267748391 838457796 /nfs/dbraw/zinc/45/77/96/838457796.db2.gz YCIKEOVMEBJVAN-CYBMUJFWSA-N 1 2 332.404 0.125 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2nn(CC)nc2C)C1 ZINC001267754241 838476670 /nfs/dbraw/zinc/47/66/70/838476670.db2.gz XZFWKOSDJNPFEC-CHWSQXEVSA-N 1 2 334.424 0.101 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2nn(CC)nc2C)C1 ZINC001267754241 838476678 /nfs/dbraw/zinc/47/66/78/838476678.db2.gz XZFWKOSDJNPFEC-CHWSQXEVSA-N 1 2 334.424 0.101 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc(C3CC3)o2)C1 ZINC001267766218 838499907 /nfs/dbraw/zinc/49/99/07/838499907.db2.gz FQBKNEBFVLWUKE-TZMCWYRMSA-N 1 2 344.415 0.836 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cnc(C3CC3)o2)C1 ZINC001267766218 838499912 /nfs/dbraw/zinc/49/99/12/838499912.db2.gz FQBKNEBFVLWUKE-TZMCWYRMSA-N 1 2 344.415 0.836 20 30 ECEDLO CN(C(=O)c1ccnc(C2CC2)c1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267768918 838508798 /nfs/dbraw/zinc/50/87/98/838508798.db2.gz ROTSQDGDLGRHOZ-HNNXBMFYSA-N 1 2 341.415 0.745 20 30 ECEDLO CN(C(=O)c1ccnc(C2CC2)c1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267768918 838508801 /nfs/dbraw/zinc/50/88/01/838508801.db2.gz ROTSQDGDLGRHOZ-HNNXBMFYSA-N 1 2 341.415 0.745 20 30 ECEDLO C#CCC[N@H+]1CC[C@@H](N(C)C(=O)CS(=O)(=O)C2CCCC2)C1 ZINC001267769122 838513355 /nfs/dbraw/zinc/51/33/55/838513355.db2.gz XZYQTUYQSBDNGE-CQSZACIVSA-N 1 2 326.462 0.900 20 30 ECEDLO C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)CS(=O)(=O)C2CCCC2)C1 ZINC001267769122 838513360 /nfs/dbraw/zinc/51/33/60/838513360.db2.gz XZYQTUYQSBDNGE-CQSZACIVSA-N 1 2 326.462 0.900 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](F)CC)C1 ZINC001267770281 838517864 /nfs/dbraw/zinc/51/78/64/838517864.db2.gz IKCBDGJZQBVRJZ-NEPJUHHUSA-N 1 2 328.388 0.279 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](F)CC)C1 ZINC001267770281 838517869 /nfs/dbraw/zinc/51/78/69/838517869.db2.gz IKCBDGJZQBVRJZ-NEPJUHHUSA-N 1 2 328.388 0.279 20 30 ECEDLO N#CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)Cc1ccco1)CC2 ZINC001268046823 839214281 /nfs/dbraw/zinc/21/42/81/839214281.db2.gz LSYLNCRKNQSDAF-UHFFFAOYSA-N 1 2 330.388 0.386 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3cc(C)ncn3)CC2)C1=O ZINC000980989819 839293126 /nfs/dbraw/zinc/29/31/26/839293126.db2.gz KXEFLXCRFVPUCL-MRXNPFEDSA-N 1 2 343.431 0.720 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3cc(C)ncn3)CC2)C1=O ZINC000980989819 839293140 /nfs/dbraw/zinc/29/31/40/839293140.db2.gz KXEFLXCRFVPUCL-MRXNPFEDSA-N 1 2 343.431 0.720 20 30 ECEDLO N#Cc1cc(Cl)ccc1CN1CC[NH+](CCS(N)(=O)=O)CC1 ZINC000187273311 236164749 /nfs/dbraw/zinc/16/47/49/236164749.db2.gz PXQUDJBCXUTBJH-UHFFFAOYSA-N 1 2 342.852 0.618 20 30 ECEDLO CC[C@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CC[N@@H+]1C[C@H](C)O ZINC000246211626 243211955 /nfs/dbraw/zinc/21/19/55/243211955.db2.gz RVKMZKMGSWPBIL-JSGCOSHPSA-N 1 2 338.433 0.419 20 30 ECEDLO CC[C@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CC[N@H+]1C[C@H](C)O ZINC000246211626 243211960 /nfs/dbraw/zinc/21/19/60/243211960.db2.gz RVKMZKMGSWPBIL-JSGCOSHPSA-N 1 2 338.433 0.419 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CSCCS2)CC1 ZINC000267467922 251085572 /nfs/dbraw/zinc/08/55/72/251085572.db2.gz NASFLKSGMUHQCK-CYBMUJFWSA-N 1 2 341.502 0.119 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CSCCS2)CC1 ZINC000267467922 251085575 /nfs/dbraw/zinc/08/55/75/251085575.db2.gz NASFLKSGMUHQCK-CYBMUJFWSA-N 1 2 341.502 0.119 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000330389966 285045839 /nfs/dbraw/zinc/04/58/39/285045839.db2.gz OESBCBDBCZCBNM-HUUCEWRRSA-N 1 2 344.481 0.509 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000374454076 285051546 /nfs/dbraw/zinc/05/15/46/285051546.db2.gz UJHOEIZCFJYTKU-ILXRZTDVSA-N 1 2 344.481 0.556 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000374454076 285051550 /nfs/dbraw/zinc/05/15/50/285051550.db2.gz UJHOEIZCFJYTKU-ILXRZTDVSA-N 1 2 344.481 0.556 20 30 ECEDLO COCC(COC)[NH+]1CCN(C(=O)COc2ccc(C#N)cc2)CC1 ZINC000412557063 208249882 /nfs/dbraw/zinc/24/98/82/208249882.db2.gz VGYAVGKOPFAURG-UHFFFAOYSA-N 1 2 347.415 0.743 20 30 ECEDLO C[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000430094663 210355322 /nfs/dbraw/zinc/35/53/22/210355322.db2.gz AIRSTBRWCQVFMR-CYBMUJFWSA-N 1 2 333.417 0.672 20 30 ECEDLO C[N@H+](Cc1cnc2ccc(C#N)cn12)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000430094663 210355317 /nfs/dbraw/zinc/35/53/17/210355317.db2.gz AIRSTBRWCQVFMR-CYBMUJFWSA-N 1 2 333.417 0.672 20 30 ECEDLO C=CCN(CC=C)C(=O)CN1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000130143526 254497619 /nfs/dbraw/zinc/49/76/19/254497619.db2.gz FSZZTCGSHLPGBL-KRWDZBQOSA-N 1 2 348.491 0.816 20 30 ECEDLO N#C[C@@H]1COCCN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000174846325 254505625 /nfs/dbraw/zinc/50/56/25/254505625.db2.gz AVJKKBWRRMPOEO-QGZVFWFLSA-N 1 2 344.415 0.682 20 30 ECEDLO CNC(=O)c1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cn1 ZINC000264056672 254513383 /nfs/dbraw/zinc/51/33/83/254513383.db2.gz CAUOFGQKTOBJAM-UHFFFAOYSA-N 1 2 345.403 0.129 20 30 ECEDLO N#CCCCOc1cccnc1NC(=O)N1CC[NH+](CCO)CC1 ZINC000275023757 254541713 /nfs/dbraw/zinc/54/17/13/254541713.db2.gz QFLITNPNYWIPHU-UHFFFAOYSA-N 1 2 333.392 0.906 20 30 ECEDLO CN(C)C(=O)COC1C[NH+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000353007495 254713353 /nfs/dbraw/zinc/71/33/53/254713353.db2.gz BEVPRLZKJAQEPD-HNNXBMFYSA-N 1 2 347.415 0.281 20 30 ECEDLO COC(=O)CC[NH+]1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1 ZINC000416376686 254770121 /nfs/dbraw/zinc/77/01/21/254770121.db2.gz YMTHRGSNIBNTKU-UHFFFAOYSA-N 1 2 329.422 0.191 20 30 ECEDLO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000496431209 255099559 /nfs/dbraw/zinc/09/95/59/255099559.db2.gz FNQJJAYOZKHATJ-MRXNPFEDSA-N 1 2 340.424 0.320 20 30 ECEDLO CCOCC[NH+]1CCN(S(=O)(=O)N(CC)C[C@H](C)C#N)CC1 ZINC000337076542 286089729 /nfs/dbraw/zinc/08/97/29/286089729.db2.gz SGFYULUJUYCQNE-CQSZACIVSA-N 1 2 332.470 0.367 20 30 ECEDLO C[N@@H+]1CCC[C@H]1CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000194696717 165067883 /nfs/dbraw/zinc/06/78/83/165067883.db2.gz WHYWOERHCORULT-HNNXBMFYSA-N 1 2 335.429 0.683 20 30 ECEDLO C[N@H+]1CCC[C@H]1CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000194696717 165067885 /nfs/dbraw/zinc/06/78/85/165067885.db2.gz WHYWOERHCORULT-HNNXBMFYSA-N 1 2 335.429 0.683 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnc(N(C)C)nc1 ZINC000271299958 263313978 /nfs/dbraw/zinc/31/39/78/263313978.db2.gz TYNDDDZEOVCVFL-ZDUSSCGKSA-N 1 2 338.419 0.915 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnc(N(C)C)nc1 ZINC000271299958 263313979 /nfs/dbraw/zinc/31/39/79/263313979.db2.gz TYNDDDZEOVCVFL-ZDUSSCGKSA-N 1 2 338.419 0.915 20 30 ECEDLO N#Cc1c(N2CC[NH+](CC(=O)N3CCCC3)CC2)nc2ccccn21 ZINC000272788394 263372891 /nfs/dbraw/zinc/37/28/91/263372891.db2.gz BUHMLWKGUUSATN-UHFFFAOYSA-N 1 2 338.415 0.950 20 30 ECEDLO CC(C)(C(=O)N1CCN(c2ncccc2C#N)CC1)[NH+]1CCOCC1 ZINC000278697745 263844971 /nfs/dbraw/zinc/84/49/71/263844971.db2.gz RHXZHCOTACBRMY-UHFFFAOYSA-N 1 2 343.431 0.713 20 30 ECEDLO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355125625 266165300 /nfs/dbraw/zinc/16/53/00/266165300.db2.gz MYFFFWAZRRTGHT-GFCCVEGCSA-N 1 2 330.392 0.309 20 30 ECEDLO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343992401 267025034 /nfs/dbraw/zinc/02/50/34/267025034.db2.gz VCJBSQTWFVMCNU-DGCLKSJQSA-N 1 2 336.417 0.313 20 30 ECEDLO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343992401 267025037 /nfs/dbraw/zinc/02/50/37/267025037.db2.gz VCJBSQTWFVMCNU-DGCLKSJQSA-N 1 2 336.417 0.313 20 30 ECEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3cnn(C)c3C#N)c[nH+]2)CCO1 ZINC000354587327 267063591 /nfs/dbraw/zinc/06/35/91/267063591.db2.gz SJDFSXIYLYIXTG-GFCCVEGCSA-N 1 2 340.387 0.842 20 30 ECEDLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)n1cnc(C#N)n1 ZINC000336880690 267127201 /nfs/dbraw/zinc/12/72/01/267127201.db2.gz CNMBAGPVCTXWCL-CQSZACIVSA-N 1 2 349.398 0.927 20 30 ECEDLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000301804579 267128260 /nfs/dbraw/zinc/12/82/60/267128260.db2.gz UZEFLTFJIHZNAA-CQSZACIVSA-N 1 2 329.404 0.323 20 30 ECEDLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2nc(C#N)cs2)CC1 ZINC000356235765 267129370 /nfs/dbraw/zinc/12/93/70/267129370.db2.gz XCCPMLYXYJCPCP-CYBMUJFWSA-N 1 2 349.460 0.380 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000289100256 267192500 /nfs/dbraw/zinc/19/25/00/267192500.db2.gz HGYKGYGHBCYWLV-KBPBESRZSA-N 1 2 337.445 0.775 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000289100256 267192502 /nfs/dbraw/zinc/19/25/02/267192502.db2.gz HGYKGYGHBCYWLV-KBPBESRZSA-N 1 2 337.445 0.775 20 30 ECEDLO N#Cc1cc2c(nc1N1CC[NH+](CC(=O)NC3CC3)CC1)CCC2 ZINC000298737914 268023108 /nfs/dbraw/zinc/02/31/08/268023108.db2.gz QKGWCSFYKOGZPM-UHFFFAOYSA-N 1 2 325.416 0.843 20 30 ECEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H](S(N)(=O)=O)C3)o2)cc1 ZINC000359517020 268029483 /nfs/dbraw/zinc/02/94/83/268029483.db2.gz TUULHHVNTJTOLL-ZDUSSCGKSA-N 1 2 347.400 0.861 20 30 ECEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](S(N)(=O)=O)C3)o2)cc1 ZINC000359517020 268029485 /nfs/dbraw/zinc/02/94/85/268029485.db2.gz TUULHHVNTJTOLL-ZDUSSCGKSA-N 1 2 347.400 0.861 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000298442551 268068635 /nfs/dbraw/zinc/06/86/35/268068635.db2.gz DBHQJCNAOUZSGD-UHFFFAOYSA-N 1 2 336.399 0.787 20 30 ECEDLO N#Cc1ccc(CS(=O)(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000377380417 268078137 /nfs/dbraw/zinc/07/81/37/268078137.db2.gz SMHLPADTTMXKHS-MRXNPFEDSA-N 1 2 335.429 0.795 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@@H]4OCC(=O)N[C@H]4C3)C2=O)cc1 ZINC000333825551 268123709 /nfs/dbraw/zinc/12/37/09/268123709.db2.gz JXFNWEQDWYQBMA-XHSDSOJGSA-N 1 2 340.383 0.253 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@@H]4OCC(=O)N[C@H]4C3)C2=O)cc1 ZINC000333825551 268123711 /nfs/dbraw/zinc/12/37/11/268123711.db2.gz JXFNWEQDWYQBMA-XHSDSOJGSA-N 1 2 340.383 0.253 20 30 ECEDLO N#Cc1ccc(N2CC[C@H](C(=O)N3CC[NH+](CCO)CC3)C2)c(F)c1 ZINC000286122643 268124732 /nfs/dbraw/zinc/12/47/32/268124732.db2.gz SMVOYSYGMQSIJN-HNNXBMFYSA-N 1 2 346.406 0.660 20 30 ECEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@H]4OCC(=O)N[C@@H]4C3)C2=O)cc1 ZINC000366786725 268126784 /nfs/dbraw/zinc/12/67/84/268126784.db2.gz JXFNWEQDWYQBMA-PMPSAXMXSA-N 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/nfs/dbraw/zinc/85/48/90/436854890.db2.gz OLWUITDYNOOUAA-QGZVFWFLSA-N 1 2 348.443 0.945 20 30 ECEDLO N#CCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000274707021 436863812 /nfs/dbraw/zinc/86/38/12/436863812.db2.gz YEQXGOIHLDOOOS-CYBMUJFWSA-N 1 2 330.392 0.312 20 30 ECEDLO N#CCC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000274707021 436863816 /nfs/dbraw/zinc/86/38/16/436863816.db2.gz YEQXGOIHLDOOOS-CYBMUJFWSA-N 1 2 330.392 0.312 20 30 ECEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC2(CO)COC2)CC1=O ZINC000160367376 436871355 /nfs/dbraw/zinc/87/13/55/436871355.db2.gz XBQRCBOPEYLOJC-UHFFFAOYSA-N 1 2 342.399 0.655 20 30 ECEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(N3CCCNC3=O)CC2)cc1 ZINC000135443209 436917173 /nfs/dbraw/zinc/91/71/73/436917173.db2.gz ZGLOYKFIDYTOSW-MRXNPFEDSA-N 1 2 341.415 0.964 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)CCNS(=O)(=O)c2ccccc2)C1=O ZINC000281437083 436969406 /nfs/dbraw/zinc/96/94/06/436969406.db2.gz SVGQKIVEXTURND-HNNXBMFYSA-N 1 2 337.445 0.684 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)CCNS(=O)(=O)c2ccccc2)C1=O ZINC000281437083 436969408 /nfs/dbraw/zinc/96/94/08/436969408.db2.gz SVGQKIVEXTURND-HNNXBMFYSA-N 1 2 337.445 0.684 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCCN(c3cnn(C)c3)C2=O)C1=O ZINC000281457928 436971696 /nfs/dbraw/zinc/97/16/96/436971696.db2.gz VATCRFSXJYNBEA-HUUCEWRRSA-N 1 2 331.420 0.634 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(c3cnn(C)c3)C2=O)C1=O ZINC000281457928 436971700 /nfs/dbraw/zinc/97/17/00/436971700.db2.gz VATCRFSXJYNBEA-HUUCEWRRSA-N 1 2 331.420 0.634 20 30 ECEDLO C[N@@H+]1CCO[C@H](CNS(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000295656625 436974939 /nfs/dbraw/zinc/97/49/39/436974939.db2.gz HXOVHCVNQBZOON-CQSZACIVSA-N 1 2 327.381 0.447 20 30 ECEDLO C[N@H+]1CCO[C@H](CNS(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000295656625 436974945 /nfs/dbraw/zinc/97/49/45/436974945.db2.gz HXOVHCVNQBZOON-CQSZACIVSA-N 1 2 327.381 0.447 20 30 ECEDLO C#CCNS(=O)(=O)c1cccc(C(=O)NCc2[nH+]ccn2CC)c1 ZINC000295798937 436979170 /nfs/dbraw/zinc/97/91/70/436979170.db2.gz RORUVJLISGHCSU-UHFFFAOYSA-N 1 2 346.412 0.745 20 30 ECEDLO COc1cccc(OCC[NH+]2CCN(CC(=O)NCC#N)CC2)c1 ZINC000164426440 436933210 /nfs/dbraw/zinc/93/32/10/436933210.db2.gz PPNWFFGFHVYLCP-UHFFFAOYSA-N 1 2 332.404 0.331 20 30 ECEDLO C=CCCCN(C)C(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000297960578 437021342 /nfs/dbraw/zinc/02/13/42/437021342.db2.gz VQAKUPPQZYYWIM-AWEZNQCLSA-N 1 2 339.436 0.507 20 30 ECEDLO C=CCCCN(C)C(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000297960578 437021343 /nfs/dbraw/zinc/02/13/43/437021343.db2.gz VQAKUPPQZYYWIM-AWEZNQCLSA-N 1 2 339.436 0.507 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000264439695 437030815 /nfs/dbraw/zinc/03/08/15/437030815.db2.gz PSQPAYRQOQTSDK-VXGBXAGGSA-N 1 2 340.424 0.986 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000264439695 437030820 /nfs/dbraw/zinc/03/08/20/437030820.db2.gz PSQPAYRQOQTSDK-VXGBXAGGSA-N 1 2 340.424 0.986 20 30 ECEDLO N#CCCS(=O)(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000296128365 436984556 /nfs/dbraw/zinc/98/45/56/436984556.db2.gz YWWNGRORHZANSR-UHFFFAOYSA-N 1 2 333.417 0.695 20 30 ECEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000275582964 436986965 /nfs/dbraw/zinc/98/69/65/436986965.db2.gz PZPJUVUQCNLWFG-ZBFHGGJFSA-N 1 2 331.372 0.885 20 30 ECEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000275582964 436986968 /nfs/dbraw/zinc/98/69/68/436986968.db2.gz PZPJUVUQCNLWFG-ZBFHGGJFSA-N 1 2 331.372 0.885 20 30 ECEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000171923861 436991800 /nfs/dbraw/zinc/99/18/00/436991800.db2.gz NCUUOELTFVBCLK-HNNXBMFYSA-N 1 2 337.468 0.135 20 30 ECEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000171923861 436991802 /nfs/dbraw/zinc/99/18/02/436991802.db2.gz NCUUOELTFVBCLK-HNNXBMFYSA-N 1 2 337.468 0.135 20 30 ECEDLO COCCN(CCC#N)S(=O)(=O)N(C)CCCn1cc[nH+]c1 ZINC000281757657 436996050 /nfs/dbraw/zinc/99/60/50/436996050.db2.gz JQTXWUTZWBXITP-UHFFFAOYSA-N 1 2 329.426 0.312 20 30 ECEDLO NC(=[NH+]OCC(=O)Nc1ccc(N2CCOCC2)cc1)[C@H]1CCCO1 ZINC000284530021 437054616 /nfs/dbraw/zinc/05/46/16/437054616.db2.gz UZGBWILRWAWVBG-OAHLLOKOSA-N 1 2 348.403 0.930 20 30 ECEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000299258793 437061957 /nfs/dbraw/zinc/06/19/57/437061957.db2.gz ZNWNEHQJHPQKIN-UHFFFAOYSA-N 1 2 326.400 0.847 20 30 ECEDLO C[C@@H](NC(=O)C(=O)NCc1cccc(C#N)c1)[C@H](C)[NH+]1CCOCC1 ZINC000284080349 437037146 /nfs/dbraw/zinc/03/71/46/437037146.db2.gz RZNNSDBPUBAGHZ-KGLIPLIRSA-N 1 2 344.415 0.400 20 30 ECEDLO C=CCC[N@@H+](C)CC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000276358204 437093855 /nfs/dbraw/zinc/09/38/55/437093855.db2.gz FNZKSXWULYPLDX-CYBMUJFWSA-N 1 2 340.449 0.998 20 30 ECEDLO C=CCC[N@H+](C)CC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000276358204 437093857 /nfs/dbraw/zinc/09/38/57/437093857.db2.gz FNZKSXWULYPLDX-CYBMUJFWSA-N 1 2 340.449 0.998 20 30 ECEDLO CN(C)C(=O)C[N@@H+]1CCCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000305091254 437161066 /nfs/dbraw/zinc/16/10/66/437161066.db2.gz XJUNXGMHQWKCLM-KRWDZBQOSA-N 1 2 330.432 0.688 20 30 ECEDLO CN(C)C(=O)C[N@H+]1CCCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000305091254 437161069 /nfs/dbraw/zinc/16/10/69/437161069.db2.gz XJUNXGMHQWKCLM-KRWDZBQOSA-N 1 2 330.432 0.688 20 30 ECEDLO C#CCNC(=O)c1ccc(NC[C@H](C)[NH+]2CCN(CC)CC2)nc1 ZINC000301558972 437125097 /nfs/dbraw/zinc/12/50/97/437125097.db2.gz XISYKHAMFJSZPY-HNNXBMFYSA-N 1 2 329.448 0.883 20 30 ECEDLO C[C@@H]1CCC[C@H](C)[C@@]12NC(=O)N(C[C@@H](O)C[N@H+](C)CCC#N)C2=O ZINC000331639821 437134926 /nfs/dbraw/zinc/13/49/26/437134926.db2.gz MQBHJXSTRBLPTP-QDEZUTFSSA-N 1 2 336.436 0.939 20 30 ECEDLO C[C@@H]1CCC[C@H](C)[C@@]12NC(=O)N(C[C@@H](O)C[N@@H+](C)CCC#N)C2=O ZINC000331639821 437134927 /nfs/dbraw/zinc/13/49/27/437134927.db2.gz MQBHJXSTRBLPTP-QDEZUTFSSA-N 1 2 336.436 0.939 20 30 ECEDLO Cc1[nH]c(C#N)cc1C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000331939927 437183595 /nfs/dbraw/zinc/18/35/95/437183595.db2.gz NYXANLHUPVAALN-AWEZNQCLSA-N 1 2 343.431 0.964 20 30 ECEDLO C=CCCCCC[N@@H+](C)CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000265796622 437192409 /nfs/dbraw/zinc/19/24/09/437192409.db2.gz HKLHZCJYGYATOI-CYBMUJFWSA-N 1 2 345.465 0.678 20 30 ECEDLO C=CCCCCC[N@H+](C)CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000265796622 437192414 /nfs/dbraw/zinc/19/24/14/437192414.db2.gz HKLHZCJYGYATOI-CYBMUJFWSA-N 1 2 345.465 0.678 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(=O)Nc3cccc(C#N)c3)C[C@@H]21 ZINC000332446556 437223763 /nfs/dbraw/zinc/22/37/63/437223763.db2.gz LGVYMSLJFJRBRY-LSDHHAIUSA-N 1 2 328.372 0.428 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)C(=O)Nc3cccc(C#N)c3)C[C@@H]21 ZINC000332446556 437223766 /nfs/dbraw/zinc/22/37/66/437223766.db2.gz LGVYMSLJFJRBRY-LSDHHAIUSA-N 1 2 328.372 0.428 20 30 ECEDLO C[N@H+](CCC(=O)N1CCCCC1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000328832055 437269378 /nfs/dbraw/zinc/26/93/78/437269378.db2.gz LGSHFKVMKNLGDU-CYBMUJFWSA-N 1 2 345.465 0.464 20 30 ECEDLO C[N@@H+](CCC(=O)N1CCCCC1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000328832055 437269381 /nfs/dbraw/zinc/26/93/81/437269381.db2.gz LGSHFKVMKNLGDU-CYBMUJFWSA-N 1 2 345.465 0.464 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000266875745 437260624 /nfs/dbraw/zinc/26/06/24/437260624.db2.gz SZSLKNFXQGFKTE-UHFFFAOYSA-N 1 2 343.431 0.768 20 30 ECEDLO COc1ccc(NC(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)nn1 ZINC000329012317 437303737 /nfs/dbraw/zinc/30/37/37/437303737.db2.gz DZALIKANIIVKSZ-NSHDSACASA-N 1 2 348.407 1.142 20 30 ECEDLO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1csc(S(C)(=O)=O)c1 ZINC000329088575 437314567 /nfs/dbraw/zinc/31/45/67/437314567.db2.gz VPXABUAHAWRJCP-NSHDSACASA-N 1 2 331.463 0.702 20 30 ECEDLO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1csc(S(C)(=O)=O)c1 ZINC000329088575 437314571 /nfs/dbraw/zinc/31/45/71/437314571.db2.gz VPXABUAHAWRJCP-NSHDSACASA-N 1 2 331.463 0.702 20 30 ECEDLO CCc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[C@@H]3OCC[N@H+](C)[C@H]3C1)CC2 ZINC000329087351 437314993 /nfs/dbraw/zinc/31/49/93/437314993.db2.gz VBNCUSCDVSDVER-RDBSUJKOSA-N 1 2 348.451 0.474 20 30 ECEDLO CCc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[C@@H]3OCC[N@@H+](C)[C@H]3C1)CC2 ZINC000329087351 437314995 /nfs/dbraw/zinc/31/49/95/437314995.db2.gz VBNCUSCDVSDVER-RDBSUJKOSA-N 1 2 348.451 0.474 20 30 ECEDLO CCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H]3OCC[N@H+](C)[C@H]3C1)CC2 ZINC000329087351 437314998 /nfs/dbraw/zinc/31/49/98/437314998.db2.gz VBNCUSCDVSDVER-RDBSUJKOSA-N 1 2 348.451 0.474 20 30 ECEDLO CCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H]3OCC[N@@H+](C)[C@H]3C1)CC2 ZINC000329087351 437315001 /nfs/dbraw/zinc/31/50/01/437315001.db2.gz VBNCUSCDVSDVER-RDBSUJKOSA-N 1 2 348.451 0.474 20 30 ECEDLO Cc1cccn2cc(CNS(=O)(=O)N3CCO[C@@H](C#N)C3)[nH+]c12 ZINC000336939738 437316070 /nfs/dbraw/zinc/31/60/70/437316070.db2.gz IMSMYFKQEVNBJJ-ZDUSSCGKSA-N 1 2 335.389 0.202 20 30 ECEDLO O=C(C[N@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1)Nc1nncs1 ZINC000329119430 437321375 /nfs/dbraw/zinc/32/13/75/437321375.db2.gz JSTUDCYBCPHJLK-AWEZNQCLSA-N 1 2 339.421 0.575 20 30 ECEDLO O=C(C[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1)Nc1nncs1 ZINC000329119430 437321378 /nfs/dbraw/zinc/32/13/78/437321378.db2.gz JSTUDCYBCPHJLK-AWEZNQCLSA-N 1 2 339.421 0.575 20 30 ECEDLO C=CCNC(=O)CNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000180295049 437284888 /nfs/dbraw/zinc/28/48/88/437284888.db2.gz FJQZOIQTMUBUNB-INIZCTEOSA-N 1 2 346.431 0.661 20 30 ECEDLO C[C@H](NC(=O)C[N@@H+]1CC[C@H](NC(N)=O)C1)C(=O)N1CCCCC1 ZINC000328956290 437292646 /nfs/dbraw/zinc/29/26/46/437292646.db2.gz ZEVPAYMTIZTBDZ-RYUDHWBXSA-N 1 2 325.413 0.501 20 30 ECEDLO C[C@H](NC(=O)C[N@H+]1CC[C@H](NC(N)=O)C1)C(=O)N1CCCCC1 ZINC000328956290 437292649 /nfs/dbraw/zinc/29/26/49/437292649.db2.gz ZEVPAYMTIZTBDZ-RYUDHWBXSA-N 1 2 325.413 0.501 20 30 ECEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)C1 ZINC000329130526 437322346 /nfs/dbraw/zinc/32/23/46/437322346.db2.gz OLGGOPVETCAUOF-DLTWYDFYSA-N 1 2 341.452 0.483 20 30 ECEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)C1 ZINC000329130526 437322348 /nfs/dbraw/zinc/32/23/48/437322348.db2.gz OLGGOPVETCAUOF-DLTWYDFYSA-N 1 2 341.452 0.483 20 30 ECEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CCC(=O)N1C ZINC000329265697 437342949 /nfs/dbraw/zinc/34/29/49/437342949.db2.gz CKUIDYHFTXTOMV-AVGNSLFASA-N 1 2 337.399 0.910 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCO[C@@H]3CCC[C@H]32)CC1 ZINC000329341145 437355263 /nfs/dbraw/zinc/35/52/63/437355263.db2.gz ZQCYEPLHRXWJRY-IXDOHACOSA-N 1 2 334.464 0.932 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCO[C@@H]3CCC[C@H]32)CC1 ZINC000329341145 437355264 /nfs/dbraw/zinc/35/52/64/437355264.db2.gz ZQCYEPLHRXWJRY-IXDOHACOSA-N 1 2 334.464 0.932 20 30 ECEDLO CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])NC[C@H]1C[N@H+](C)CCN1C)CC2 ZINC000329352068 437355709 /nfs/dbraw/zinc/35/57/09/437355709.db2.gz ULHGAKSFANKAAA-KGLIPLIRSA-N 1 2 349.483 0.466 20 30 ECEDLO CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])NC[C@H]1C[N@@H+](C)CCN1C)CC2 ZINC000329352068 437355714 /nfs/dbraw/zinc/35/57/14/437355714.db2.gz ULHGAKSFANKAAA-KGLIPLIRSA-N 1 2 349.483 0.466 20 30 ECEDLO CC(C)c1nnc2n1C[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCN1C)CC2 ZINC000329352068 437355716 /nfs/dbraw/zinc/35/57/16/437355716.db2.gz ULHGAKSFANKAAA-KGLIPLIRSA-N 1 2 349.483 0.466 20 30 ECEDLO CC(C)c1nnc2n1C[C@H](NC(=O)NC[C@H]1C[N@@H+](C)CCN1C)CC2 ZINC000329352068 437355721 /nfs/dbraw/zinc/35/57/21/437355721.db2.gz ULHGAKSFANKAAA-KGLIPLIRSA-N 1 2 349.483 0.466 20 30 ECEDLO O=C(CN1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1)NC1CC1 ZINC000329438479 437369467 /nfs/dbraw/zinc/36/94/67/437369467.db2.gz KHOKWKQTPKKPNA-ZDUSSCGKSA-N 1 2 331.420 0.709 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000337056809 437323082 /nfs/dbraw/zinc/32/30/82/437323082.db2.gz CSBQJIXEZJKPFY-UONOGXRCSA-N 1 2 332.470 0.271 20 30 ECEDLO C=CCCc1ccccc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000337678912 437376087 /nfs/dbraw/zinc/37/60/87/437376087.db2.gz ZCMCYRLZTQGBQW-UHFFFAOYSA-N 1 2 331.416 0.880 20 30 ECEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NC[C@H]3COCCO3)C2)CC1 ZINC000329184270 437332166 /nfs/dbraw/zinc/33/21/66/437332166.db2.gz PSXBWEVPXJFMLR-CABCVRRESA-N 1 2 326.441 0.028 20 30 ECEDLO CC(C)C(=O)N1CCN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000329202701 437333062 /nfs/dbraw/zinc/33/30/62/437333062.db2.gz YFCRBNRQQQJNOJ-OAHLLOKOSA-N 1 2 339.484 0.337 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN([C@@H](C(=O)OC)c2ccsc2)CC1 ZINC000337125931 437334376 /nfs/dbraw/zinc/33/43/76/437334376.db2.gz FGZFTLUAMYFDIP-OAHLLOKOSA-N 1 2 337.445 0.882 20 30 ECEDLO CC[C@@H]1C[N@H+](CCNS(=O)(=O)N(CC)C[C@@H](C)C#N)CCO1 ZINC000337131846 437334950 /nfs/dbraw/zinc/33/49/50/437334950.db2.gz CQRNSHOIMHLPGC-UONOGXRCSA-N 1 2 332.470 0.413 20 30 ECEDLO CC[C@@H]1C[N@@H+](CCNS(=O)(=O)N(CC)C[C@@H](C)C#N)CCO1 ZINC000337131846 437334955 /nfs/dbraw/zinc/33/49/55/437334955.db2.gz CQRNSHOIMHLPGC-UONOGXRCSA-N 1 2 332.470 0.413 20 30 ECEDLO Cn1cc[nH+]c1CNC(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000329225022 437336282 /nfs/dbraw/zinc/33/62/82/437336282.db2.gz FWICQFBACQILDO-LBPRGKRZSA-N 1 2 345.407 0.186 20 30 ECEDLO N#Cc1cccnc1-n1cc(NC(=O)N2CC[NH+](CCO)CC2)cn1 ZINC000184613904 437408969 /nfs/dbraw/zinc/40/89/69/437408969.db2.gz AXPYOMQVMMFYPK-UHFFFAOYSA-N 1 2 341.375 0.281 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCCc3cn4c(n3)SCC4)C[C@H]21 ZINC000329812943 437416928 /nfs/dbraw/zinc/41/69/28/437416928.db2.gz SLEDRMSUVWTOAQ-CHWSQXEVSA-N 1 2 337.449 0.460 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCCc3cn4c(n3)SCC4)C[C@H]21 ZINC000329812943 437416930 /nfs/dbraw/zinc/41/69/30/437416930.db2.gz SLEDRMSUVWTOAQ-CHWSQXEVSA-N 1 2 337.449 0.460 20 30 ECEDLO N#Cc1cncc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000289501434 437418030 /nfs/dbraw/zinc/41/80/30/437418030.db2.gz PYUHOGMXGFNKCV-CYBMUJFWSA-N 1 2 336.417 0.296 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000338879500 437424264 /nfs/dbraw/zinc/42/42/64/437424264.db2.gz DXRSMHBKYRSDOH-UHFFFAOYSA-N 1 2 334.376 0.720 20 30 ECEDLO CS(=O)(=O)[C@@H]1CCCN(C(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329892980 437427604 /nfs/dbraw/zinc/42/76/04/437427604.db2.gz AQBBZQMZOKQEDM-CHWSQXEVSA-N 1 2 340.449 0.869 20 30 ECEDLO C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)C(=O)N1CCCC[C@@H]1C ZINC000329907653 437430042 /nfs/dbraw/zinc/43/00/42/437430042.db2.gz LCKWFKQPZAUOLR-XQLPTFJDSA-N 1 2 338.452 0.705 20 30 ECEDLO C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)C(=O)N1CCCC[C@@H]1C ZINC000329907653 437430044 /nfs/dbraw/zinc/43/00/44/437430044.db2.gz LCKWFKQPZAUOLR-XQLPTFJDSA-N 1 2 338.452 0.705 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2C)CC1 ZINC000337842274 437380956 /nfs/dbraw/zinc/38/09/56/437380956.db2.gz GRTXAENVJHDSOV-UHFFFAOYSA-N 1 2 344.419 0.808 20 30 ECEDLO C[C@H]([C@H](C)NC(=O)NC[C@H](O)C1CCOCC1)[NH+]1CCOCC1 ZINC000329546417 437382240 /nfs/dbraw/zinc/38/22/40/437382240.db2.gz BVRQUWGHEIQADI-GUTXKFCHSA-N 1 2 329.441 0.387 20 30 ECEDLO C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000329626085 437393118 /nfs/dbraw/zinc/39/31/18/437393118.db2.gz VKIXKZRPLQSFSH-IFMYKAFSSA-N 1 2 331.482 0.853 20 30 ECEDLO C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000329626085 437393121 /nfs/dbraw/zinc/39/31/21/437393121.db2.gz VKIXKZRPLQSFSH-IFMYKAFSSA-N 1 2 331.482 0.853 20 30 ECEDLO CN(C)C(=O)c1cccc(CNC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000329643184 437394541 /nfs/dbraw/zinc/39/45/41/437394541.db2.gz CZKGERHMMPYODQ-JKSUJKDBSA-N 1 2 346.431 0.817 20 30 ECEDLO CN(C)C(=O)c1cccc(CNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000329643184 437394546 /nfs/dbraw/zinc/39/45/46/437394546.db2.gz CZKGERHMMPYODQ-JKSUJKDBSA-N 1 2 346.431 0.817 20 30 ECEDLO CC[C@@H]1CN(C(=O)N[C@@H]2CCc3ncnn3C2)C[C@H]1[NH+]1CCOCC1 ZINC000330225108 437470983 /nfs/dbraw/zinc/47/09/83/437470983.db2.gz NZXQCBPXBLJUFW-RBSFLKMASA-N 1 2 348.451 0.550 20 30 ECEDLO COCC1(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)CCOCC1 ZINC000330231521 437471122 /nfs/dbraw/zinc/47/11/22/437471122.db2.gz WXDZKUQNXOJFJW-CABCVRRESA-N 1 2 341.452 0.749 20 30 ECEDLO COCC1(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CCOCC1 ZINC000330231521 437471126 /nfs/dbraw/zinc/47/11/26/437471126.db2.gz WXDZKUQNXOJFJW-CABCVRRESA-N 1 2 341.452 0.749 20 30 ECEDLO CN1CC[N@H+](C)[C@H](CNC(=O)Nc2cccc(-n3ccnn3)c2)C1 ZINC000330258823 437476023 /nfs/dbraw/zinc/47/60/23/437476023.db2.gz MTRCSTWYGGCQNI-OAHLLOKOSA-N 1 2 329.408 0.839 20 30 ECEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)Nc2cccc(-n3ccnn3)c2)C1 ZINC000330258823 437476028 /nfs/dbraw/zinc/47/60/28/437476028.db2.gz MTRCSTWYGGCQNI-OAHLLOKOSA-N 1 2 329.408 0.839 20 30 ECEDLO Cc1nnc([C@@H]2CN(C(=O)N[C@@H](C)C[NH+]3CCOCC3)CCO2)[nH]1 ZINC000330288137 437479326 /nfs/dbraw/zinc/47/93/26/437479326.db2.gz CVFSFFNSHAQOIX-AAEUAGOBSA-N 1 2 338.412 0.121 20 30 ECEDLO Cc1nc([C@@H]2CN(C(=O)N[C@@H](C)C[NH+]3CCOCC3)CCO2)n[nH]1 ZINC000330288137 437479328 /nfs/dbraw/zinc/47/93/28/437479328.db2.gz CVFSFFNSHAQOIX-AAEUAGOBSA-N 1 2 338.412 0.121 20 30 ECEDLO C[C@H](CNC(=O)N1CCS(=O)(=O)CC[C@H]1C)C[NH+]1CCOCC1 ZINC000330339864 437487566 /nfs/dbraw/zinc/48/75/66/437487566.db2.gz XEQCSVCHBHXCHA-ZIAGYGMSSA-N 1 2 347.481 0.378 20 30 ECEDLO CN1C[C@H](NC(=O)NCc2ccc[nH+]c2N2CCOCC2)CC1=O ZINC000330139848 437460247 /nfs/dbraw/zinc/46/02/47/437460247.db2.gz PDBYYVJLPMFIKA-CYBMUJFWSA-N 1 2 333.392 0.153 20 30 ECEDLO C#C[C@@H](C)NC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000186093075 437461255 /nfs/dbraw/zinc/46/12/55/437461255.db2.gz RGLPLWODLLFZKV-GFCCVEGCSA-N 1 2 329.404 0.604 20 30 ECEDLO O=C(N[C@@H]1CCCC[C@H]1O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000330153335 437462015 /nfs/dbraw/zinc/46/20/15/437462015.db2.gz MQQIAEVWWPFPBM-RBSFLKMASA-N 1 2 339.436 0.427 20 30 ECEDLO O=C(C[N@@H+]1CCOC2(CCOCC2)C1)NCC(=O)N1CCCC1 ZINC000330190037 437466380 /nfs/dbraw/zinc/46/63/80/437466380.db2.gz VTCDBMCQUSLTBH-UHFFFAOYSA-N 1 2 325.409 0.447 20 30 ECEDLO O=C(C[N@H+]1CCOC2(CCOCC2)C1)NCC(=O)N1CCCC1 ZINC000330190037 437466388 /nfs/dbraw/zinc/46/63/88/437466388.db2.gz VTCDBMCQUSLTBH-UHFFFAOYSA-N 1 2 325.409 0.447 20 30 ECEDLO Cc1c(C(=O)NCC[N@H+]2CCOC[C@H]2C)cccc1S(N)(=O)=O ZINC000330418435 437507227 /nfs/dbraw/zinc/50/72/27/437507227.db2.gz DIOBIKAWJLGMJZ-LLVKDONJSA-N 1 2 341.433 0.668 20 30 ECEDLO Cc1c(C(=O)NCC[N@@H+]2CCOC[C@H]2C)cccc1S(N)(=O)=O ZINC000330418435 437507228 /nfs/dbraw/zinc/50/72/28/437507228.db2.gz DIOBIKAWJLGMJZ-LLVKDONJSA-N 1 2 341.433 0.668 20 30 ECEDLO CC(C)[C@H](CNC(=O)c1coc(S(N)(=O)=O)c1)[NH+]1CCOCC1 ZINC000330476432 437524874 /nfs/dbraw/zinc/52/48/74/437524874.db2.gz HQJQLRDZAUYICQ-LBPRGKRZSA-N 1 2 345.421 0.588 20 30 ECEDLO CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000330542251 437547804 /nfs/dbraw/zinc/54/78/04/437547804.db2.gz INGORMRGEJOASN-OLZOCXBDSA-N 1 2 339.440 0.898 20 30 ECEDLO CCCCNC(=O)NC(=O)C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000330542251 437547810 /nfs/dbraw/zinc/54/78/10/437547810.db2.gz INGORMRGEJOASN-OLZOCXBDSA-N 1 2 339.440 0.898 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000340096213 437570864 /nfs/dbraw/zinc/57/08/64/437570864.db2.gz SYTQDPGTNHEWHX-UHFFFAOYSA-N 1 2 346.431 0.959 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2scnc2C)CC1 ZINC000188890452 437575556 /nfs/dbraw/zinc/57/55/56/437575556.db2.gz HMBBXATVNOURAX-AATRIKPKSA-N 1 2 346.456 0.748 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2scnc2C)CC1 ZINC000188890452 437575560 /nfs/dbraw/zinc/57/55/60/437575560.db2.gz HMBBXATVNOURAX-AATRIKPKSA-N 1 2 346.456 0.748 20 30 ECEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000189087279 437582826 /nfs/dbraw/zinc/58/28/26/437582826.db2.gz QJRNSEJOXKMMCD-UONOGXRCSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000189087279 437582829 /nfs/dbraw/zinc/58/28/29/437582829.db2.gz QJRNSEJOXKMMCD-UONOGXRCSA-N 1 2 337.445 0.942 20 30 ECEDLO CC[C@@](C)(O)CNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330884391 437641709 /nfs/dbraw/zinc/64/17/09/437641709.db2.gz KSBSICLSDNLWOM-QGZVFWFLSA-N 1 2 349.435 0.956 20 30 ECEDLO C[C@H](CO)CNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330889212 437642272 /nfs/dbraw/zinc/64/22/72/437642272.db2.gz OAWLMIQKNUJAMF-LBPRGKRZSA-N 1 2 335.408 0.424 20 30 ECEDLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 ZINC000361559591 437670494 /nfs/dbraw/zinc/67/04/94/437670494.db2.gz TXSPSNFWSGGJBL-LBPRGKRZSA-N 1 2 329.422 0.189 20 30 ECEDLO CC(C)(C)NC(=O)NC(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355121681 437673418 /nfs/dbraw/zinc/67/34/18/437673418.db2.gz GSGOJABEDUGTHT-UHFFFAOYSA-N 1 2 344.419 0.700 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000361575692 437674125 /nfs/dbraw/zinc/67/41/25/437674125.db2.gz DXKRPFIJYWTKAB-UHFFFAOYSA-N 1 2 329.360 0.891 20 30 ECEDLO C[C@H](NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)C(=O)N(C)C ZINC000331102239 437689789 /nfs/dbraw/zinc/68/97/89/437689789.db2.gz DOTNTIDYTIEQFP-SWLSCSKDSA-N 1 2 344.481 0.175 20 30 ECEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000292408252 437687255 /nfs/dbraw/zinc/68/72/55/437687255.db2.gz YEYKJOYQNCXYEN-LSDHHAIUSA-N 1 2 334.420 0.829 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000292566346 437704030 /nfs/dbraw/zinc/70/40/30/437704030.db2.gz BJJSCBHMWTZBOQ-LBPRGKRZSA-N 1 2 338.433 0.526 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000292566346 437704036 /nfs/dbraw/zinc/70/40/36/437704036.db2.gz BJJSCBHMWTZBOQ-LBPRGKRZSA-N 1 2 338.433 0.526 20 30 ECEDLO CC(C)(CNC(=O)N1CCC[C@@H](OCCO)C1)[NH+]1CCOCC1 ZINC000331221863 437721169 /nfs/dbraw/zinc/72/11/69/437721169.db2.gz KHLFVOZDRXEOHB-CQSZACIVSA-N 1 2 329.441 0.485 20 30 ECEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000361996217 437711795 /nfs/dbraw/zinc/71/17/95/437711795.db2.gz KXOQYFCIUUNNBN-UHFFFAOYSA-N 1 2 334.355 0.874 20 30 ECEDLO C=CC[N@H+](CCOC)CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000361996217 437711799 /nfs/dbraw/zinc/71/17/99/437711799.db2.gz KXOQYFCIUUNNBN-UHFFFAOYSA-N 1 2 334.355 0.874 20 30 ECEDLO Cc1nc(S(=O)(=O)N2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)cn1C ZINC000292789550 437721565 /nfs/dbraw/zinc/72/15/65/437721565.db2.gz LHYOWONDFRVGTR-ZIAGYGMSSA-N 1 2 337.449 0.727 20 30 ECEDLO C=CCN(CC=C)C(=O)CN1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000370355714 437771234 /nfs/dbraw/zinc/77/12/34/437771234.db2.gz RUERKMOVMFMVST-INIZCTEOSA-N 1 2 334.464 0.473 20 30 ECEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000355695171 437726053 /nfs/dbraw/zinc/72/60/53/437726053.db2.gz HGBMNMLRRBPVBI-ZDUSSCGKSA-N 1 2 330.388 0.125 20 30 ECEDLO C[C@H]1COCC[N@H+]1CCNC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000355695171 437726056 /nfs/dbraw/zinc/72/60/56/437726056.db2.gz HGBMNMLRRBPVBI-ZDUSSCGKSA-N 1 2 330.388 0.125 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000362412904 437736562 /nfs/dbraw/zinc/73/65/62/437736562.db2.gz ITXWQXDNCYOKCT-HNNXBMFYSA-N 1 2 336.436 0.462 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000362412904 437736566 /nfs/dbraw/zinc/73/65/66/437736566.db2.gz ITXWQXDNCYOKCT-HNNXBMFYSA-N 1 2 336.436 0.462 20 30 ECEDLO CNC(=O)C[N@@H+]1CCCN(C(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000362448119 437739048 /nfs/dbraw/zinc/73/90/48/437739048.db2.gz IPIJATGIHDEFDU-UHFFFAOYSA-N 1 2 344.415 0.412 20 30 ECEDLO CNC(=O)C[N@H+]1CCCN(C(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000362448119 437739051 /nfs/dbraw/zinc/73/90/51/437739051.db2.gz IPIJATGIHDEFDU-UHFFFAOYSA-N 1 2 344.415 0.412 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000331322924 437740794 /nfs/dbraw/zinc/74/07/94/437740794.db2.gz LWYQYIUXWIOWMJ-CVEARBPZSA-N 1 2 349.479 0.375 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000356180160 437753271 /nfs/dbraw/zinc/75/32/71/437753271.db2.gz YKTAZEFWJMQLFC-ARWYELJZSA-N 1 2 326.437 0.700 20 30 ECEDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000364607829 437819401 /nfs/dbraw/zinc/81/94/01/437819401.db2.gz PFOSJXOBLYFVPL-WCQYABFASA-N 1 2 337.401 0.947 20 30 ECEDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000364607829 437819404 /nfs/dbraw/zinc/81/94/04/437819404.db2.gz PFOSJXOBLYFVPL-WCQYABFASA-N 1 2 337.401 0.947 20 30 ECEDLO N#Cc1ccc(NCC(=O)N2CC[NH+](Cc3cccnc3)CC2)nc1 ZINC000345524716 437792362 /nfs/dbraw/zinc/79/23/62/437792362.db2.gz YTYTTYVLYKFCIJ-UHFFFAOYSA-N 1 2 336.399 1.105 20 30 ECEDLO CNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000363516134 437794452 /nfs/dbraw/zinc/79/44/52/437794452.db2.gz PPZJMQWIYVTZQQ-UHFFFAOYSA-N 1 2 344.415 0.412 20 30 ECEDLO CNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000363516134 437794459 /nfs/dbraw/zinc/79/44/59/437794459.db2.gz PPZJMQWIYVTZQQ-UHFFFAOYSA-N 1 2 344.415 0.412 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCC1)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000345835139 437800190 /nfs/dbraw/zinc/80/01/90/437800190.db2.gz BLJKEEYKYYZVAM-OAHLLOKOSA-N 1 2 347.463 0.177 20 30 ECEDLO C=CCN(CC=C)C(=O)CN1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000370795349 437841991 /nfs/dbraw/zinc/84/19/91/437841991.db2.gz HMFUHVYEGPWUML-UHFFFAOYSA-N 1 2 334.464 0.603 20 30 ECEDLO C=C[C@H](CO)NC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000356857806 437847073 /nfs/dbraw/zinc/84/70/73/437847073.db2.gz HEKFJBSGHCPCAP-XJKCOSOUSA-N 1 2 334.420 0.773 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000341487876 437850938 /nfs/dbraw/zinc/85/09/38/437850938.db2.gz YDXOLROWBPJPCF-BMFZPTHFSA-N 1 2 334.372 0.560 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000341487876 437850941 /nfs/dbraw/zinc/85/09/41/437850941.db2.gz YDXOLROWBPJPCF-BMFZPTHFSA-N 1 2 334.372 0.560 20 30 ECEDLO C[C@H](C#N)S(=O)(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000416368836 437922441 /nfs/dbraw/zinc/92/24/41/437922441.db2.gz FOKRGHKEILHVHG-CYBMUJFWSA-N 1 2 333.417 0.694 20 30 ECEDLO COCC1(C#N)CC[NH+](CC(=O)NCCCN2CCCC2=O)CC1 ZINC000341974169 437932976 /nfs/dbraw/zinc/93/29/76/437932976.db2.gz HKTPJPZMIUSCGQ-UHFFFAOYSA-N 1 2 336.436 0.367 20 30 ECEDLO 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C=CCN1CC[C@H](N2CCC[N@H+](CC(=O)NC(C)(C)C)CC2)C1=O ZINC000374100481 438187937 /nfs/dbraw/zinc/18/79/37/438187937.db2.gz UFCUEAVWIZWNPM-HNNXBMFYSA-N 1 2 336.480 0.696 20 30 ECEDLO N#CCNC(=O)CNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000358285624 438192752 /nfs/dbraw/zinc/19/27/52/438192752.db2.gz AGTIOELJTUCQOT-UHFFFAOYSA-N 1 2 349.822 0.637 20 30 ECEDLO N#CCNC(=O)CNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000358285624 438192757 /nfs/dbraw/zinc/19/27/57/438192757.db2.gz AGTIOELJTUCQOT-UHFFFAOYSA-N 1 2 349.822 0.637 20 30 ECEDLO N#Cc1cccc([C@H]2CN(C(=O)NCC[NH+]3CCOCC3)CCO2)c1 ZINC000367075254 438163242 /nfs/dbraw/zinc/16/32/42/438163242.db2.gz HYYZGBRDSVNAMJ-QGZVFWFLSA-N 1 2 344.415 0.973 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000374566813 438218651 /nfs/dbraw/zinc/21/86/51/438218651.db2.gz TVJYOHRJZNOPBF-UHFFFAOYSA-N 1 2 328.376 0.087 20 30 ECEDLO C#CCNC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000367899072 438264733 /nfs/dbraw/zinc/26/47/33/438264733.db2.gz 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CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2C[C@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000368477590 438336556 /nfs/dbraw/zinc/33/65/56/438336556.db2.gz LECFLCOIDNPHAS-APIJFGDWSA-N 1 2 337.420 0.932 20 30 ECEDLO Cc1cn2c([nH+]1)CN(CCS(=O)(=O)c1ccc(C#N)cn1)CC2 ZINC000377543890 438311097 /nfs/dbraw/zinc/31/10/97/438311097.db2.gz OEZOFYNXICBYQU-UHFFFAOYSA-N 1 2 331.401 0.748 20 30 ECEDLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CCN2C1=O ZINC000369454175 438477101 /nfs/dbraw/zinc/47/71/01/438477101.db2.gz YKGLPXDADCXAPA-MLGOLLRUSA-N 1 2 335.408 0.009 20 30 ECEDLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CCN2C1=O ZINC000369454175 438477105 /nfs/dbraw/zinc/47/71/05/438477105.db2.gz YKGLPXDADCXAPA-MLGOLLRUSA-N 1 2 335.408 0.009 20 30 ECEDLO CC[C@@H](C(=O)OC)N1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000352665912 438457860 /nfs/dbraw/zinc/45/78/60/438457860.db2.gz GJLRCSNNMJNJKQ-KBPBESRZSA-N 1 2 336.436 0.507 20 30 ECEDLO N#Cc1ccc(CS(=O)(=O)NCCC[NH+]2CCOCC2)c(F)c1 ZINC000440053571 438530375 /nfs/dbraw/zinc/53/03/75/438530375.db2.gz SDPWXEBUSJPIPL-UHFFFAOYSA-N 1 2 341.408 0.839 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)C[C@@H]1C ZINC000408406924 438568397 /nfs/dbraw/zinc/56/83/97/438568397.db2.gz VRRIICANDKTBGF-WDEREUQCSA-N 1 2 329.447 0.695 20 30 ECEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)C[C@@H]1C ZINC000408406924 438568398 /nfs/dbraw/zinc/56/83/98/438568398.db2.gz VRRIICANDKTBGF-WDEREUQCSA-N 1 2 329.447 0.695 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@H](C)[N@H+]1CCO ZINC000451896070 438613189 /nfs/dbraw/zinc/61/31/89/438613189.db2.gz ZZPHKXAOEOOTEY-TXEJJXNPSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@H](C)[N@@H+]1CCO ZINC000451896070 438613191 /nfs/dbraw/zinc/61/31/91/438613191.db2.gz ZZPHKXAOEOOTEY-TXEJJXNPSA-N 1 2 341.408 0.773 20 30 ECEDLO CO[C@@H]1COCC[C@H]1CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000448838373 438686340 /nfs/dbraw/zinc/68/63/40/438686340.db2.gz XYQUATGLPFSQBZ-JKSUJKDBSA-N 1 2 339.436 0.502 20 30 ECEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000453652947 438686505 /nfs/dbraw/zinc/68/65/05/438686505.db2.gz FPJAXHQEAKEXQC-MRXNPFEDSA-N 1 2 342.399 0.738 20 30 ECEDLO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C)cc(C#N)c2)C[C@H]1C ZINC000453645788 438686975 /nfs/dbraw/zinc/68/69/75/438686975.db2.gz OYVXJJOSKNXHQA-CQSZACIVSA-N 1 2 344.415 0.984 20 30 ECEDLO COCC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C)cc(C#N)c2)C[C@H]1C ZINC000453645788 438686977 /nfs/dbraw/zinc/68/69/77/438686977.db2.gz OYVXJJOSKNXHQA-CQSZACIVSA-N 1 2 344.415 0.984 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(C3CCCC3)n2C)CC1 ZINC000548841879 438734186 /nfs/dbraw/zinc/73/41/86/438734186.db2.gz XJHNZGAEEZFJEV-UHFFFAOYSA-N 1 2 332.452 0.897 20 30 ECEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000575412112 438748417 /nfs/dbraw/zinc/74/84/17/438748417.db2.gz MZWXIWRYXOYVBM-GFCCVEGCSA-N 1 2 327.388 0.979 20 30 ECEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000557472607 438800571 /nfs/dbraw/zinc/80/05/71/438800571.db2.gz OYMSKBZVSYLVGQ-LSDHHAIUSA-N 1 2 330.388 0.654 20 30 ECEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000557472607 438800574 /nfs/dbraw/zinc/80/05/74/438800574.db2.gz OYMSKBZVSYLVGQ-LSDHHAIUSA-N 1 2 330.388 0.654 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)NCC(=O)NCCCn2cc[nH+]c2)c1 ZINC000555915263 438779283 /nfs/dbraw/zinc/77/92/83/438779283.db2.gz FZAULIQYGKGPKE-UHFFFAOYSA-N 1 2 347.400 0.240 20 30 ECEDLO Cc1c(C#N)c(=O)n(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(=O)n1C1CC1 ZINC000601092723 438819189 /nfs/dbraw/zinc/81/91/89/438819189.db2.gz NPTONRWWPWDHNS-TXEJJXNPSA-N 1 2 332.404 0.634 20 30 ECEDLO Cc1c(C#N)c(=O)n(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(=O)n1C1CC1 ZINC000601092723 438819203 /nfs/dbraw/zinc/81/92/03/438819203.db2.gz NPTONRWWPWDHNS-TXEJJXNPSA-N 1 2 332.404 0.634 20 30 ECEDLO N#Cc1ccncc1N1CC[NH+](CC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000590013962 438897801 /nfs/dbraw/zinc/89/78/01/438897801.db2.gz ZKDZEVRUCXIQOL-CQSZACIVSA-N 1 2 334.445 0.900 20 30 ECEDLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)CC1 ZINC000563062592 438858822 /nfs/dbraw/zinc/85/88/22/438858822.db2.gz DBTDNFCTWDYDKX-AWEZNQCLSA-N 1 2 337.445 0.581 20 30 ECEDLO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595842017 438869813 /nfs/dbraw/zinc/86/98/13/438869813.db2.gz XPQSKKOJFCNUAU-PBHICJAKSA-N 1 2 328.420 0.749 20 30 ECEDLO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595842017 438869816 /nfs/dbraw/zinc/86/98/16/438869816.db2.gz XPQSKKOJFCNUAU-PBHICJAKSA-N 1 2 328.420 0.749 20 30 ECEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[NH+](CCCO)CC1 ZINC000601384883 438870750 /nfs/dbraw/zinc/87/07/50/438870750.db2.gz IVUPYBKCCRCTLO-UHFFFAOYSA-N 1 2 341.408 0.695 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccccc2CC#N)C[C@H](C)[N@H+]1CCO ZINC000601430064 438891475 /nfs/dbraw/zinc/89/14/75/438891475.db2.gz NCKKQTSCEIGMIW-OKILXGFUSA-N 1 2 337.445 0.828 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccccc2CC#N)C[C@H](C)[N@@H+]1CCO ZINC000601430064 438891479 /nfs/dbraw/zinc/89/14/79/438891479.db2.gz NCKKQTSCEIGMIW-OKILXGFUSA-N 1 2 337.445 0.828 20 30 ECEDLO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@]2(C(N)=O)CCOC2)c1C ZINC000565164989 438922879 /nfs/dbraw/zinc/92/28/79/438922879.db2.gz OLTPAPLUKPHBKL-SFHVURJKSA-N 1 2 344.415 0.784 20 30 ECEDLO CCNC(=O)C[NH+]1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459285139 438955079 /nfs/dbraw/zinc/95/50/79/438955079.db2.gz CCJXCZSNQLFARS-UHFFFAOYSA-N 1 2 331.376 0.720 20 30 ECEDLO N#Cc1ccc(NC(=O)C[N@@H+](CCO)CCOCCO)cc1Cl ZINC000459769887 438997024 /nfs/dbraw/zinc/99/70/24/438997024.db2.gz ARRIWXQIBUBPCK-UHFFFAOYSA-N 1 2 341.795 0.453 20 30 ECEDLO N#Cc1ccc(NC(=O)C[N@H+](CCO)CCOCCO)cc1Cl ZINC000459769887 438997028 /nfs/dbraw/zinc/99/70/28/438997028.db2.gz ARRIWXQIBUBPCK-UHFFFAOYSA-N 1 2 341.795 0.453 20 30 ECEDLO CCNC(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000518541851 439004389 /nfs/dbraw/zinc/00/43/89/439004389.db2.gz BQHMIPWMFCIURC-UHFFFAOYSA-N 1 2 331.376 0.720 20 30 ECEDLO COC[C@]1(C(N)=O)CCC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000591646955 439045733 /nfs/dbraw/zinc/04/57/33/439045733.db2.gz JNYKGFAVDNOPFM-KRWDZBQOSA-N 1 2 336.436 0.638 20 30 ECEDLO COC[C@]1(C(N)=O)CCC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000591646955 439045739 /nfs/dbraw/zinc/04/57/39/439045739.db2.gz JNYKGFAVDNOPFM-KRWDZBQOSA-N 1 2 336.436 0.638 20 30 ECEDLO CN1C(=O)N(CC(=O)N[C@](C)(C#N)C[NH+](C)C)C(=O)C12CCCCC2 ZINC000566306617 439039734 /nfs/dbraw/zinc/03/97/34/439039734.db2.gz ULTWBBFFGWTEAB-MRXNPFEDSA-N 1 2 349.435 0.543 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000520988347 439103339 /nfs/dbraw/zinc/10/33/39/439103339.db2.gz LEGAVMZXNVOHFP-CABCVRRESA-N 1 2 338.452 0.526 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)NCC2(C#N)CC2)C1=O ZINC000567056115 439111841 /nfs/dbraw/zinc/11/18/41/439111841.db2.gz VNYUPHLXSBBSBB-LBPRGKRZSA-N 1 2 330.392 0.514 20 30 ECEDLO Cn1cnn(-c2ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc2)c1=O ZINC000519817270 439067805 /nfs/dbraw/zinc/06/78/05/439067805.db2.gz CGPWPCSXMMBNAC-HNNXBMFYSA-N 1 2 330.392 0.189 20 30 ECEDLO Cn1cnn(-c2ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc2)c1=O ZINC000519817270 439067806 /nfs/dbraw/zinc/06/78/06/439067806.db2.gz CGPWPCSXMMBNAC-HNNXBMFYSA-N 1 2 330.392 0.189 20 30 ECEDLO CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592149756 439167192 /nfs/dbraw/zinc/16/71/92/439167192.db2.gz WAHBFXZBRKALHK-YVEFUNNKSA-N 1 2 330.388 0.724 20 30 ECEDLO CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592149756 439167194 /nfs/dbraw/zinc/16/71/94/439167194.db2.gz WAHBFXZBRKALHK-YVEFUNNKSA-N 1 2 330.388 0.724 20 30 ECEDLO C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC)CC1 ZINC000567282917 439130943 /nfs/dbraw/zinc/13/09/43/439130943.db2.gz PKWZVWSNSDHXPV-CYBMUJFWSA-N 1 2 339.465 0.508 20 30 ECEDLO COC(=O)C1CCN(C(=O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)CC1 ZINC000602854863 439144253 /nfs/dbraw/zinc/14/42/53/439144253.db2.gz DDUBRHCYENECIK-KBPBESRZSA-N 1 2 336.436 0.316 20 30 ECEDLO C[C@H]1C[NH+](CC(=O)NCCCN2CCCC2=O)C[C@H](C)N1CC#N ZINC000602857609 439144739 /nfs/dbraw/zinc/14/47/39/439144739.db2.gz UCHXQHAITPTOMK-GJZGRUSLSA-N 1 2 335.452 0.033 20 30 ECEDLO C[C@@H]1C[NH+](CC(=O)NCc2ccc3c(c2)OCO3)C[C@@H](C)N1CC#N ZINC000602864836 439147482 /nfs/dbraw/zinc/14/74/82/439147482.db2.gz QTMGMHAHZRNOAJ-ZIAGYGMSSA-N 1 2 344.415 0.950 20 30 ECEDLO Cc1cccc2[nH+]c(CCNS(=O)(=O)N3CCO[C@@H](C#N)C3)cn21 ZINC000592120883 439162762 /nfs/dbraw/zinc/16/27/62/439162762.db2.gz ICYGFTDHBYASJF-AWEZNQCLSA-N 1 2 349.416 0.244 20 30 ECEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000592147017 439165375 /nfs/dbraw/zinc/16/53/75/439165375.db2.gz HOHBIDKVWWZFAV-QGZVFWFLSA-N 1 2 348.472 0.743 20 30 ECEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000592147017 439165379 /nfs/dbraw/zinc/16/53/79/439165379.db2.gz HOHBIDKVWWZFAV-QGZVFWFLSA-N 1 2 348.472 0.743 20 30 ECEDLO N#CCC(=O)N1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000568175957 439219359 /nfs/dbraw/zinc/21/93/59/439219359.db2.gz MROFANQCLCQPCT-CQSZACIVSA-N 1 2 348.359 0.392 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000592202220 439179888 /nfs/dbraw/zinc/17/98/88/439179888.db2.gz ZLTYHZICAGPHEC-UXIGCNINSA-N 1 2 331.372 0.741 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000592202220 439179891 /nfs/dbraw/zinc/17/98/91/439179891.db2.gz ZLTYHZICAGPHEC-UXIGCNINSA-N 1 2 331.372 0.741 20 30 ECEDLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C#N)cc1F ZINC000581310495 439197064 /nfs/dbraw/zinc/19/70/64/439197064.db2.gz DYZJNSLOGBSBGJ-CYBMUJFWSA-N 1 2 349.391 0.766 20 30 ECEDLO C[C@@H](C(=O)N1CCN(c2ccsc2C#N)CC1)[NH+]1CCN(C)CC1 ZINC000597937381 439201405 /nfs/dbraw/zinc/20/14/05/439201405.db2.gz OHWPIIPEBZXICA-AWEZNQCLSA-N 1 2 347.488 0.904 20 30 ECEDLO COC1CC[NH+](Cc2cn([C@H](C)C(=O)N(C)CCC#N)nn2)CC1 ZINC000603187477 439205597 /nfs/dbraw/zinc/20/55/97/439205597.db2.gz BFQLEVYVUOBUBG-CYBMUJFWSA-N 1 2 334.424 0.822 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCCN(CCC(=O)OC)C2=O)nn1 ZINC000603239861 439215497 /nfs/dbraw/zinc/21/54/97/439215497.db2.gz UORRXYTUGAIDON-CQSZACIVSA-N 1 2 333.392 0.118 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CNC(=O)C3CC3)CC2)cc1 ZINC000603593182 439274546 /nfs/dbraw/zinc/27/45/46/439274546.db2.gz KTBMVMFDSHZVKF-UHFFFAOYSA-N 1 2 326.400 0.729 20 30 ECEDLO COC(=O)C[N@H+](CCN1CCOCC1)C[C@@H](O)CC(C)(C)C#N ZINC000598592490 439281768 /nfs/dbraw/zinc/28/17/68/439281768.db2.gz KWOVHIPSXISOQW-AWEZNQCLSA-N 1 2 327.425 0.094 20 30 ECEDLO COC(=O)C[N@@H+](CCN1CCOCC1)C[C@@H](O)CC(C)(C)C#N ZINC000598592490 439281773 /nfs/dbraw/zinc/28/17/73/439281773.db2.gz KWOVHIPSXISOQW-AWEZNQCLSA-N 1 2 327.425 0.094 20 30 ECEDLO COC(=O)CN(CC[NH+]1CCOCC1)C[C@@H](O)CC(C)(C)C#N ZINC000598592490 439281777 /nfs/dbraw/zinc/28/17/77/439281777.db2.gz KWOVHIPSXISOQW-AWEZNQCLSA-N 1 2 327.425 0.094 20 30 ECEDLO COC(=O)COc1ccc(C[N@@H+]2CC[C@](O)(CC#N)C2)cc1[N+](=O)[O-] ZINC000592522331 439243137 /nfs/dbraw/zinc/24/31/37/439243137.db2.gz LYMDCYCVTIAHND-MRXNPFEDSA-N 1 2 349.343 0.997 20 30 ECEDLO COC(=O)COc1ccc(C[N@H+]2CC[C@](O)(CC#N)C2)cc1[N+](=O)[O-] ZINC000592522331 439243140 /nfs/dbraw/zinc/24/31/40/439243140.db2.gz LYMDCYCVTIAHND-MRXNPFEDSA-N 1 2 349.343 0.997 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccnc(N(C)C)c2)CC1 ZINC000490670972 439284452 /nfs/dbraw/zinc/28/44/52/439284452.db2.gz OUYYQPHMKAOZSO-UHFFFAOYSA-N 1 2 343.431 0.045 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccnc(N(C)C)c2)CC1 ZINC000490670972 439284457 /nfs/dbraw/zinc/28/44/57/439284457.db2.gz OUYYQPHMKAOZSO-UHFFFAOYSA-N 1 2 343.431 0.045 20 30 ECEDLO C#C[C@H](NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)C(C)C ZINC000490950964 439317373 /nfs/dbraw/zinc/31/73/73/439317373.db2.gz VKVFNOPQZBATNZ-HNNXBMFYSA-N 1 2 330.436 0.556 20 30 ECEDLO CCc1nc(C#N)cc(NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)n1 ZINC000528130630 439318709 /nfs/dbraw/zinc/31/87/09/439318709.db2.gz LVHDWAADGDLSDB-KRWDZBQOSA-N 1 2 331.420 0.938 20 30 ECEDLO CCc1nc(C#N)cc(NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)n1 ZINC000528130630 439318715 /nfs/dbraw/zinc/31/87/15/439318715.db2.gz LVHDWAADGDLSDB-KRWDZBQOSA-N 1 2 331.420 0.938 20 30 ECEDLO C#C[C@@H](NC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C(C)C ZINC000490974865 439320049 /nfs/dbraw/zinc/32/00/49/439320049.db2.gz QZOGZNVLDYJUFT-ZIAGYGMSSA-N 1 2 331.420 0.868 20 30 ECEDLO C#CCNC(=O)CC[N@H+](Cc1ccccc1)[C@H](C(=O)OC)[C@@H](C)O ZINC000491068391 439327508 /nfs/dbraw/zinc/32/75/08/439327508.db2.gz OWUXUKIZAAWBRE-PBHICJAKSA-N 1 2 332.400 0.551 20 30 ECEDLO C#CCNC(=O)CC[N@@H+](Cc1ccccc1)[C@H](C(=O)OC)[C@@H](C)O ZINC000491068391 439327511 /nfs/dbraw/zinc/32/75/11/439327511.db2.gz OWUXUKIZAAWBRE-PBHICJAKSA-N 1 2 332.400 0.551 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCO2)CC1 ZINC000491068827 439329158 /nfs/dbraw/zinc/32/91/58/439329158.db2.gz RRSRPHKVAQAGRU-JKSUJKDBSA-N 1 2 345.447 0.716 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000491126193 439335227 /nfs/dbraw/zinc/33/52/27/439335227.db2.gz LPDRMGZWOOHGNA-UHFFFAOYSA-N 1 2 334.351 0.601 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)c2ccccn2)CC1 ZINC000491121694 439335395 /nfs/dbraw/zinc/33/53/95/439335395.db2.gz RUIIEPZCOMNBDZ-HNNXBMFYSA-N 1 2 328.416 0.469 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)c2ccccn2)CC1 ZINC000491121694 439335401 /nfs/dbraw/zinc/33/54/01/439335401.db2.gz RUIIEPZCOMNBDZ-HNNXBMFYSA-N 1 2 328.416 0.469 20 30 ECEDLO C[C@H](O)C[C@@H]1COCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528450107 439337194 /nfs/dbraw/zinc/33/71/94/439337194.db2.gz KKJWBJFFRPTASK-LSDHHAIUSA-N 1 2 342.395 0.758 20 30 ECEDLO C[C@H](O)C[C@@H]1COCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528450107 439337198 /nfs/dbraw/zinc/33/71/98/439337198.db2.gz KKJWBJFFRPTASK-LSDHHAIUSA-N 1 2 342.395 0.758 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CON=C2CCC3(CC2)OCCO3)CC1 ZINC000490761051 439295042 /nfs/dbraw/zinc/29/50/42/439295042.db2.gz RDKVLFDJSBJJAV-UHFFFAOYSA-N 1 2 335.404 0.454 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCOc3ccc(OC)cc32)CC1 ZINC000490759924 439295304 /nfs/dbraw/zinc/29/53/04/439295304.db2.gz ICASNFJCXXRPLX-UHFFFAOYSA-N 1 2 329.400 0.671 20 30 ECEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC ZINC000582130600 439295961 /nfs/dbraw/zinc/29/59/61/439295961.db2.gz IUBRKQPAGCQROX-SNVBAGLBSA-N 1 2 340.405 0.563 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCc3n[nH]cc32)CC1 ZINC000490819673 439300294 /nfs/dbraw/zinc/30/02/94/439300294.db2.gz JQQXQALTPKTJRV-CQSZACIVSA-N 1 2 343.431 0.113 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCc3n[nH]cc32)CC1 ZINC000490819673 439300299 /nfs/dbraw/zinc/30/02/99/439300299.db2.gz JQQXQALTPKTJRV-CQSZACIVSA-N 1 2 343.431 0.113 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc3c(c2)S(=O)(=O)CC3)CC1 ZINC000490829784 439302761 /nfs/dbraw/zinc/30/27/61/439302761.db2.gz DLQRXKPYINXVDV-UHFFFAOYSA-N 1 2 347.440 0.206 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc3c(c2)CCCNC3=O)CC1 ZINC000490875431 439306952 /nfs/dbraw/zinc/30/69/52/439306952.db2.gz QCDIUGJFAOMOJD-UHFFFAOYSA-N 1 2 341.411 0.519 20 30 ECEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccnc(C#N)n2)CC1 ZINC000569139234 439308346 /nfs/dbraw/zinc/30/83/46/439308346.db2.gz YAKXUTSRKYVWCK-CQSZACIVSA-N 1 2 328.420 0.871 20 30 ECEDLO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1nnnn1CC(F)(F)F ZINC000569186104 439311755 /nfs/dbraw/zinc/31/17/55/439311755.db2.gz GCTLQURRNXCDQR-UHFFFAOYSA-N 1 2 343.317 0.477 20 30 ECEDLO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1nnnn1CC(F)(F)F ZINC000569186104 439311760 /nfs/dbraw/zinc/31/17/60/439311760.db2.gz GCTLQURRNXCDQR-UHFFFAOYSA-N 1 2 343.317 0.477 20 30 ECEDLO C[C@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CC[S@](=O)C1 ZINC000528478590 439339237 /nfs/dbraw/zinc/33/92/37/439339237.db2.gz UMTNEDPYKYVLTC-BSEYFRJRSA-N 1 2 344.436 0.986 20 30 ECEDLO C[C@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CC[S@](=O)C1 ZINC000528478590 439339239 /nfs/dbraw/zinc/33/92/39/439339239.db2.gz UMTNEDPYKYVLTC-BSEYFRJRSA-N 1 2 344.436 0.986 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCC[C@@H]2OC)CC1 ZINC000491166593 439341141 /nfs/dbraw/zinc/34/11/41/439341141.db2.gz SMGDQSUBNUSQHJ-HOTGVXAUSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCC[C@@H]2OC)CC1 ZINC000491166593 439341147 /nfs/dbraw/zinc/34/11/47/439341147.db2.gz SMGDQSUBNUSQHJ-HOTGVXAUSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000491241078 439354607 /nfs/dbraw/zinc/35/46/07/439354607.db2.gz GQPGCZOQWYGBAI-KGLIPLIRSA-N 1 2 325.430 0.842 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000491241078 439354614 /nfs/dbraw/zinc/35/46/14/439354614.db2.gz GQPGCZOQWYGBAI-KGLIPLIRSA-N 1 2 325.430 0.842 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)N[C@@](C)(C(C)(C)C)C2=O)CC1 ZINC000491253244 439357324 /nfs/dbraw/zinc/35/73/24/439357324.db2.gz MJVNSWMXVBKVLL-QGZVFWFLSA-N 1 2 334.420 0.120 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cncc(Cl)c2)CC1 ZINC000491325793 439366816 /nfs/dbraw/zinc/36/68/16/439366816.db2.gz HBXDESFURPKCON-UHFFFAOYSA-N 1 2 334.807 0.632 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cncc(Cl)c2)CC1 ZINC000491325793 439366821 /nfs/dbraw/zinc/36/68/21/439366821.db2.gz HBXDESFURPKCON-UHFFFAOYSA-N 1 2 334.807 0.632 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cnc3cc(F)ccc3c2=O)CC1 ZINC000491394996 439376441 /nfs/dbraw/zinc/37/64/41/439376441.db2.gz PSIJLLUZKBGZHL-UHFFFAOYSA-N 1 2 328.347 0.313 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3nnn(C)c3C)n2C2CC2)CC1 ZINC000491414508 439379568 /nfs/dbraw/zinc/37/95/68/439379568.db2.gz CNIGQXAJWGUCEW-UHFFFAOYSA-N 1 2 326.408 0.472 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc3c2CN(C)C3=O)CC1 ZINC000491396156 439377198 /nfs/dbraw/zinc/37/71/98/439377198.db2.gz WYIPUNDRSZFPMH-UHFFFAOYSA-N 1 2 326.400 0.462 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccnc2ccnn21 ZINC000599229551 439389447 /nfs/dbraw/zinc/38/94/47/439389447.db2.gz FMBZUHAENUMZBM-UHFFFAOYSA-N 1 2 328.376 0.417 20 30 ECEDLO N#C[C@@]1(F)CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)C1 ZINC000599224913 439390080 /nfs/dbraw/zinc/39/00/80/439390080.db2.gz BZJZIXZXTULELT-RDJZCZTQSA-N 1 2 347.394 0.930 20 30 ECEDLO N#C[C@@]1(F)CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)C1 ZINC000599224913 439390085 /nfs/dbraw/zinc/39/00/85/439390085.db2.gz BZJZIXZXTULELT-RDJZCZTQSA-N 1 2 347.394 0.930 20 30 ECEDLO COC(=O)c1cnc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cn1 ZINC000599267156 439409998 /nfs/dbraw/zinc/40/99/98/439409998.db2.gz VGSUWBGELWBDKR-UHFFFAOYSA-N 1 2 338.371 0.852 20 30 ECEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C ZINC000491626804 439413901 /nfs/dbraw/zinc/41/39/01/439413901.db2.gz LZBDQCBBQGSDMF-VXGBXAGGSA-N 1 2 335.429 0.565 20 30 ECEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C ZINC000491626804 439413905 /nfs/dbraw/zinc/41/39/05/439413905.db2.gz LZBDQCBBQGSDMF-VXGBXAGGSA-N 1 2 335.429 0.565 20 30 ECEDLO C#C[C@H]1COCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000491634608 439416890 /nfs/dbraw/zinc/41/68/90/439416890.db2.gz UGPVJAVRQFDXSI-GJZGRUSLSA-N 1 2 332.404 0.344 20 30 ECEDLO C#C[C@H]1COCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000491634608 439416892 /nfs/dbraw/zinc/41/68/92/439416892.db2.gz UGPVJAVRQFDXSI-GJZGRUSLSA-N 1 2 332.404 0.344 20 30 ECEDLO C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000491668576 439425032 /nfs/dbraw/zinc/42/50/32/439425032.db2.gz ZBDQPQDBHGIKLG-OAHLLOKOSA-N 1 2 341.415 0.950 20 30 ECEDLO CCOC(=O)C[C@H](O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000599313442 439428048 /nfs/dbraw/zinc/42/80/48/439428048.db2.gz YULRFXZDEJYVII-OLZOCXBDSA-N 1 2 333.392 0.173 20 30 ECEDLO CCOC(=O)C[C@H](O)C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000599313442 439428051 /nfs/dbraw/zinc/42/80/51/439428051.db2.gz YULRFXZDEJYVII-OLZOCXBDSA-N 1 2 333.392 0.173 20 30 ECEDLO COCC[N@@H+]1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C(C)(C)C1 ZINC000593658656 439438668 /nfs/dbraw/zinc/43/86/68/439438668.db2.gz UPXPQUPUMQNNKW-ZDUSSCGKSA-N 1 2 332.470 0.365 20 30 ECEDLO COCC[N@H+]1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C(C)(C)C1 ZINC000593658656 439438672 /nfs/dbraw/zinc/43/86/72/439438672.db2.gz UPXPQUPUMQNNKW-ZDUSSCGKSA-N 1 2 332.470 0.365 20 30 ECEDLO C#CCN(C(=O)NCC[N@H+]1CC=C(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000491764805 439444589 /nfs/dbraw/zinc/44/45/89/439444589.db2.gz DMDGHLZJPDMDBG-HNNXBMFYSA-N 1 2 339.461 0.470 20 30 ECEDLO C#CCN(C(=O)NCC[N@@H+]1CC=C(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000491764805 439444593 /nfs/dbraw/zinc/44/45/93/439444593.db2.gz DMDGHLZJPDMDBG-HNNXBMFYSA-N 1 2 339.461 0.470 20 30 ECEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC000599380225 439451262 /nfs/dbraw/zinc/45/12/62/439451262.db2.gz RCYJXYREBPOBOZ-DZKIICNBSA-N 1 2 334.372 0.296 20 30 ECEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1C[C@H](O)COc1ccccc1C#N ZINC000599380225 439451269 /nfs/dbraw/zinc/45/12/69/439451269.db2.gz RCYJXYREBPOBOZ-DZKIICNBSA-N 1 2 334.372 0.296 20 30 ECEDLO COC(=O)C[C@@H]1COCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599418657 439464376 /nfs/dbraw/zinc/46/43/76/439464376.db2.gz JBIDPFNOIMYRTC-KGLIPLIRSA-N 1 2 326.393 0.322 20 30 ECEDLO COC(=O)C[C@@H]1COCC[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599418657 439464380 /nfs/dbraw/zinc/46/43/80/439464380.db2.gz JBIDPFNOIMYRTC-KGLIPLIRSA-N 1 2 326.393 0.322 20 30 ECEDLO CC[C@@](COC)([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C(=O)OC ZINC000599437926 439469009 /nfs/dbraw/zinc/46/90/09/439469009.db2.gz UDHYSVLLTXNAOH-BBRMVZONSA-N 1 2 328.409 0.616 20 30 ECEDLO COCCOCC[NH+]1CCN(C(=O)Cc2noc(C)c2C#N)CC1 ZINC000593887598 439487712 /nfs/dbraw/zinc/48/77/12/439487712.db2.gz WVVCYXJQOIOSRU-UHFFFAOYSA-N 1 2 336.392 0.204 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000530333050 439497430 /nfs/dbraw/zinc/49/74/30/439497430.db2.gz OMRODDIPSFMIKC-KBPBESRZSA-N 1 2 347.463 0.222 20 30 ECEDLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC1 ZINC000492224684 439509646 /nfs/dbraw/zinc/50/96/46/439509646.db2.gz KFUQSLJMNFGPKY-AWEZNQCLSA-N 1 2 329.466 0.789 20 30 ECEDLO CNC(=O)Cc1noc(C[N@@H+]2CCc3c(CC#N)cccc3C2)n1 ZINC000599679455 439536311 /nfs/dbraw/zinc/53/63/11/439536311.db2.gz SNSJVHOPNNMQCM-UHFFFAOYSA-N 1 2 325.372 0.982 20 30 ECEDLO CNC(=O)Cc1noc(C[N@H+]2CCc3c(CC#N)cccc3C2)n1 ZINC000599679455 439536313 /nfs/dbraw/zinc/53/63/13/439536313.db2.gz SNSJVHOPNNMQCM-UHFFFAOYSA-N 1 2 325.372 0.982 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)CCO1 ZINC000609124655 439550231 /nfs/dbraw/zinc/55/02/31/439550231.db2.gz XAIXEUOHHRNUHI-LLVKDONJSA-N 1 2 334.351 0.473 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)CCO1 ZINC000609124655 439550236 /nfs/dbraw/zinc/55/02/36/439550236.db2.gz XAIXEUOHHRNUHI-LLVKDONJSA-N 1 2 334.351 0.473 20 30 ECEDLO COC(=O)C[N@H+](CC(=O)N(CCC#N)CCC#N)C1CCOCC1 ZINC000532097940 439515316 /nfs/dbraw/zinc/51/53/16/439515316.db2.gz GVYBXZCFTPCOPI-UHFFFAOYSA-N 1 2 336.392 0.296 20 30 ECEDLO COC(=O)C[N@@H+](CC(=O)N(CCC#N)CCC#N)C1CCOCC1 ZINC000532097940 439515321 /nfs/dbraw/zinc/51/53/21/439515321.db2.gz GVYBXZCFTPCOPI-UHFFFAOYSA-N 1 2 336.392 0.296 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471312 439566008 /nfs/dbraw/zinc/56/60/08/439566008.db2.gz BVUHZWNWPZJUKC-MELADBBJSA-N 1 2 332.470 0.554 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471312 439566014 /nfs/dbraw/zinc/56/60/14/439566014.db2.gz BVUHZWNWPZJUKC-MELADBBJSA-N 1 2 332.470 0.554 20 30 ECEDLO CCN1C(=O)CO[C@H](C(=O)NCC2(CC#N)CC2)[C@H]1c1[nH+]ccn1C ZINC000599872615 439567755 /nfs/dbraw/zinc/56/77/55/439567755.db2.gz CKNYTKVRNROBOI-KBPBESRZSA-N 1 2 345.403 0.519 20 30 ECEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000609484542 439571124 /nfs/dbraw/zinc/57/11/24/439571124.db2.gz CUYCLVACAGOLBV-MRXNPFEDSA-N 1 2 330.436 0.808 20 30 ECEDLO CC(=O)NC[C@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000609806973 439589337 /nfs/dbraw/zinc/58/93/37/439589337.db2.gz PWCUMQMKQXRIJW-AEFFLSMTSA-N 1 2 347.415 0.329 20 30 ECEDLO CC(=O)NC[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000609806973 439589338 /nfs/dbraw/zinc/58/93/38/439589338.db2.gz PWCUMQMKQXRIJW-AEFFLSMTSA-N 1 2 347.415 0.329 20 30 ECEDLO CS(=O)(=O)N1CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000572722655 439605138 /nfs/dbraw/zinc/60/51/38/439605138.db2.gz GTFCBIPDAFMLSU-UHFFFAOYSA-N 1 2 334.405 0.068 20 30 ECEDLO CS(=O)(=O)N1CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000572722655 439605140 /nfs/dbraw/zinc/60/51/40/439605140.db2.gz GTFCBIPDAFMLSU-UHFFFAOYSA-N 1 2 334.405 0.068 20 30 ECEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@]2(C(N)=O)CCOC2)c1 ZINC000573455768 439646865 /nfs/dbraw/zinc/64/68/65/439646865.db2.gz POCNDOYDCYOTSE-GOSISDBHSA-N 1 2 344.415 0.784 20 30 ECEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C(=O)Nc1cccc(C#N)c1 ZINC000595125406 439656926 /nfs/dbraw/zinc/65/69/26/439656926.db2.gz IMPYIONKOAXYNM-OLZOCXBDSA-N 1 2 330.388 0.722 20 30 ECEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C(=O)Nc1cccc(C#N)c1 ZINC000595125406 439656931 /nfs/dbraw/zinc/65/69/31/439656931.db2.gz IMPYIONKOAXYNM-OLZOCXBDSA-N 1 2 330.388 0.722 20 30 ECEDLO Cc1onc(CC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c1C#N ZINC000600233093 439626069 /nfs/dbraw/zinc/62/60/69/439626069.db2.gz WJLJNJOLFHKRIL-KRWDZBQOSA-N 1 2 348.403 0.129 20 30 ECEDLO Cc1onc(CC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c1C#N ZINC000600233093 439626072 /nfs/dbraw/zinc/62/60/72/439626072.db2.gz WJLJNJOLFHKRIL-KRWDZBQOSA-N 1 2 348.403 0.129 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000611431316 439696853 /nfs/dbraw/zinc/69/68/53/439696853.db2.gz OMCOHXZTPKVERX-CYBMUJFWSA-N 1 2 333.440 0.239 20 30 ECEDLO COC(=O)CC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000595502672 439735126 /nfs/dbraw/zinc/73/51/26/439735126.db2.gz VOBNTWWKUSWLSJ-KBPBESRZSA-N 1 2 347.371 0.901 20 30 ECEDLO COC(=O)CC[C@@H](C(=O)OC)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000595502672 439735129 /nfs/dbraw/zinc/73/51/29/439735129.db2.gz VOBNTWWKUSWLSJ-KBPBESRZSA-N 1 2 347.371 0.901 20 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/nfs/dbraw/zinc/50/50/78/440505078.db2.gz QQYBMTLJENWALH-ARFHVFGLSA-N 1 2 334.464 0.354 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000661686549 440903433 /nfs/dbraw/zinc/90/34/33/440903433.db2.gz OXVIMCOSGXBISX-ZIAGYGMSSA-N 1 2 331.482 0.765 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000661686549 440903438 /nfs/dbraw/zinc/90/34/38/440903438.db2.gz OXVIMCOSGXBISX-ZIAGYGMSSA-N 1 2 331.482 0.765 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)NCCc2ccccc2OC)nn1 ZINC000640873284 441014564 /nfs/dbraw/zinc/01/45/64/441014564.db2.gz TXTCJUBPGAHIKQ-UHFFFAOYSA-N 1 2 341.415 0.759 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2nc3c(s2)CCC3)nn1 ZINC000640969957 441033864 /nfs/dbraw/zinc/03/38/64/441033864.db2.gz IRLPJCIHMZDHFG-UHFFFAOYSA-N 1 2 330.417 0.975 20 30 ECEDLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000188276765 533703826 /nfs/dbraw/zinc/70/38/26/533703826.db2.gz USFGZWBDLJZHRR-LLVKDONJSA-N 1 2 343.836 0.899 20 30 ECEDLO COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000547416349 322126653 /nfs/dbraw/zinc/12/66/53/322126653.db2.gz PPECWVKPXMYIJN-LBPRGKRZSA-N 1 2 346.387 0.342 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000563831893 322347199 /nfs/dbraw/zinc/34/71/99/322347199.db2.gz JOQYCPDRIPRIOY-INIZCTEOSA-N 1 2 337.383 0.752 20 30 ECEDLO Cn1nccc1[C@H](CO)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000574813226 322785792 /nfs/dbraw/zinc/78/57/92/322785792.db2.gz VFLRLDZGSWTHAB-AWEZNQCLSA-N 1 2 334.401 0.389 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CSC(F)(F)F)CC1 ZINC000171667565 526993316 /nfs/dbraw/zinc/99/33/16/526993316.db2.gz RSKFUAOPNUCNMM-UHFFFAOYSA-N 1 2 337.367 0.523 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CSC(F)(F)F)CC1 ZINC000171667565 526993323 /nfs/dbraw/zinc/99/33/23/526993323.db2.gz RSKFUAOPNUCNMM-UHFFFAOYSA-N 1 2 337.367 0.523 20 30 ECEDLO CC1(C)C[N@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000171298412 529117686 /nfs/dbraw/zinc/11/76/86/529117686.db2.gz 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ZINC000328945144 546010003 /nfs/dbraw/zinc/01/00/03/546010003.db2.gz UYUODAGTFGWTJH-AWEZNQCLSA-N 1 2 336.436 0.366 20 30 ECEDLO O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000328947483 546011031 /nfs/dbraw/zinc/01/10/31/546011031.db2.gz VVJQVQDSSCVBDM-GJZGRUSLSA-N 1 2 339.436 0.285 20 30 ECEDLO Cc1nsc(N2CC[NH+](C[C@H](O)CN3CCCC3=O)CC2)c1C#N ZINC000329864291 546035710 /nfs/dbraw/zinc/03/57/10/546035710.db2.gz ZPFSBPXLFTXQOV-ZDUSSCGKSA-N 1 2 349.460 0.429 20 30 ECEDLO C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1 ZINC000606444252 546301862 /nfs/dbraw/zinc/30/18/62/546301862.db2.gz MTEFNIOLGCVMKE-CYBMUJFWSA-N 1 2 346.412 0.702 20 30 ECEDLO N#CCc1cccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000619495693 546334803 /nfs/dbraw/zinc/33/48/03/546334803.db2.gz PPLFAYPDPPLYEY-SJORKVTESA-N 1 2 349.456 0.972 20 30 ECEDLO C=C[C@@H](C(=O)OC)N1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000619715827 546363691 /nfs/dbraw/zinc/36/36/91/546363691.db2.gz VJGGKIWXWOESEZ-INIZCTEOSA-N 1 2 331.416 0.648 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000624159275 546884546 /nfs/dbraw/zinc/88/45/46/546884546.db2.gz XWZSJLYNMUJZNI-BBWFWOEESA-N 1 2 346.431 0.925 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000624159275 546884551 /nfs/dbraw/zinc/88/45/51/546884551.db2.gz XWZSJLYNMUJZNI-BBWFWOEESA-N 1 2 346.431 0.925 20 30 ECEDLO CCNC(=O)C[N@H+](CC)CC#CCN1C(=O)c2ccccc2C1=O ZINC000625056451 547014310 /nfs/dbraw/zinc/01/43/10/547014310.db2.gz FNALFLIYEQQNJG-UHFFFAOYSA-N 1 2 327.384 0.744 20 30 ECEDLO CCNC(=O)C[N@@H+](CC)CC#CCN1C(=O)c2ccccc2C1=O ZINC000625056451 547014313 /nfs/dbraw/zinc/01/43/13/547014313.db2.gz FNALFLIYEQQNJG-UHFFFAOYSA-N 1 2 327.384 0.744 20 30 ECEDLO C=CCCN(C)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000625557912 547147045 /nfs/dbraw/zinc/14/70/45/547147045.db2.gz QVEQKCDCROLCJE-INIZCTEOSA-N 1 2 346.431 0.433 20 30 ECEDLO C=CCCN(C)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000625557912 547147051 /nfs/dbraw/zinc/14/70/51/547147051.db2.gz QVEQKCDCROLCJE-INIZCTEOSA-N 1 2 346.431 0.433 20 30 ECEDLO COC[C@@]1(C)CN(CC#CC[N@@H+]2CCO[C@@](C)(COC)C2)CCO1 ZINC000626176148 547310862 /nfs/dbraw/zinc/31/08/62/547310862.db2.gz GSLBRNGLWRKTHV-QZTJIDSGSA-N 1 2 340.464 0.464 20 30 ECEDLO COC[C@@]1(C)CN(CC#CC[N@H+]2CCO[C@@](C)(COC)C2)CCO1 ZINC000626176148 547310868 /nfs/dbraw/zinc/31/08/68/547310868.db2.gz GSLBRNGLWRKTHV-QZTJIDSGSA-N 1 2 340.464 0.464 20 30 ECEDLO CNS(=O)(=O)c1ccccc1N1CC[NH+](CC#CCOC)CC1 ZINC000677818219 548958068 /nfs/dbraw/zinc/95/80/68/548958068.db2.gz HRRKOZCHESFTRK-UHFFFAOYSA-N 1 2 337.445 0.367 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ocnc3C)C[C@H]2O)nc1 ZINC001078031454 782177339 /nfs/dbraw/zinc/17/73/39/782177339.db2.gz UVIOPMCXRMXFAH-HUUCEWRRSA-N 1 2 326.356 0.334 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ocnc3C)C[C@H]2O)nc1 ZINC001078031454 782177346 /nfs/dbraw/zinc/17/73/46/782177346.db2.gz UVIOPMCXRMXFAH-HUUCEWRRSA-N 1 2 326.356 0.334 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCCC[C@H]2c2noc(C)n2)CC1 ZINC000748814252 579329106 /nfs/dbraw/zinc/32/91/06/579329106.db2.gz XJXSOGAPZAUJLV-HNNXBMFYSA-N 1 2 331.420 0.682 20 30 ECEDLO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCN(CCCCO)CC2)cc1 ZINC000749366540 579337241 /nfs/dbraw/zinc/33/72/41/579337241.db2.gz KYDGVQQAPCEMFE-SFHVURJKSA-N 1 2 347.459 0.882 20 30 ECEDLO CC(C)C[N@H+](CCC#N)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000755668231 579436632 /nfs/dbraw/zinc/43/66/32/579436632.db2.gz AJJAGIQJVZWTEH-UHFFFAOYSA-N 1 2 337.468 0.090 20 30 ECEDLO CC(C)C[N@@H+](CCC#N)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000755668231 579436633 /nfs/dbraw/zinc/43/66/33/579436633.db2.gz AJJAGIQJVZWTEH-UHFFFAOYSA-N 1 2 337.468 0.090 20 30 ECEDLO Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(C)[nH+]1 ZINC000756179364 579446016 /nfs/dbraw/zinc/44/60/16/579446016.db2.gz CXVBDXSDPOZTNA-AWEZNQCLSA-N 1 2 327.388 0.836 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000755954216 579442327 /nfs/dbraw/zinc/44/23/27/579442327.db2.gz NQZGAMCXABHOIR-NYHFZMIOSA-N 1 2 327.494 0.572 20 30 ECEDLO C#CCNC(=S)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000758232019 579469291 /nfs/dbraw/zinc/46/92/91/579469291.db2.gz XKRNWPGVDPKVRS-UHFFFAOYSA-N 1 2 336.505 0.808 20 30 ECEDLO Cn1cc[nH+]c1CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000758452789 579473364 /nfs/dbraw/zinc/47/33/64/579473364.db2.gz CPRCCSYMYMYODG-NEPJUHHUSA-N 1 2 348.407 0.978 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000730097512 578303286 /nfs/dbraw/zinc/30/32/86/578303286.db2.gz CYIILLIHDCXSHK-KBXCAEBGSA-N 1 2 340.383 0.777 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000730097512 578303287 /nfs/dbraw/zinc/30/32/87/578303287.db2.gz CYIILLIHDCXSHK-KBXCAEBGSA-N 1 2 340.383 0.777 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000730276182 578304332 /nfs/dbraw/zinc/30/43/32/578304332.db2.gz HOAVFIBKGANRFQ-AWEZNQCLSA-N 1 2 327.388 0.054 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000730276182 578304333 /nfs/dbraw/zinc/30/43/33/578304333.db2.gz HOAVFIBKGANRFQ-AWEZNQCLSA-N 1 2 327.388 0.054 20 30 ECEDLO C=CC[N@@H+](Cc1ccc(OCC(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000731214191 578311302 /nfs/dbraw/zinc/31/13/02/578311302.db2.gz GPBFEMGIJGGMFO-AWEZNQCLSA-N 1 2 338.429 0.726 20 30 ECEDLO C=CC[N@H+](Cc1ccc(OCC(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000731214191 578311303 /nfs/dbraw/zinc/31/13/03/578311303.db2.gz GPBFEMGIJGGMFO-AWEZNQCLSA-N 1 2 338.429 0.726 20 30 ECEDLO CN(C)C(=O)C[NH+]1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000732053240 578318553 /nfs/dbraw/zinc/31/85/53/578318553.db2.gz ZPIAIKXYAXLXIW-UHFFFAOYSA-N 1 2 344.415 0.364 20 30 ECEDLO CN(CC[NH+]1CCOCC1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000733995245 578351122 /nfs/dbraw/zinc/35/11/22/578351122.db2.gz GEHQENIBLSJAHA-UHFFFAOYSA-N 1 2 341.415 0.684 20 30 ECEDLO C[N@H+](CCN1CCOCC1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000733995245 578351124 /nfs/dbraw/zinc/35/11/24/578351124.db2.gz GEHQENIBLSJAHA-UHFFFAOYSA-N 1 2 341.415 0.684 20 30 ECEDLO C[N@@H+](CCN1CCOCC1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000733995245 578351125 /nfs/dbraw/zinc/35/11/25/578351125.db2.gz GEHQENIBLSJAHA-UHFFFAOYSA-N 1 2 341.415 0.684 20 30 ECEDLO C#CCOc1ccccc1CNC(=S)NCC[NH+]1CCOCC1 ZINC000734097297 578352843 /nfs/dbraw/zinc/35/28/43/578352843.db2.gz GMAPQYSQBLZNPO-UHFFFAOYSA-N 1 2 333.457 0.995 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2oc(CC)nc2C)CC1 ZINC000794450338 578589068 /nfs/dbraw/zinc/58/90/68/578589068.db2.gz OJRGSTGFLAAEEG-UHFFFAOYSA-N 1 2 326.422 0.131 20 30 ECEDLO C#CCC[C@@H](O)CNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000798361270 578644739 /nfs/dbraw/zinc/64/47/39/578644739.db2.gz YLHYRVMOVGWQOU-OAHLLOKOSA-N 1 2 332.404 0.492 20 30 ECEDLO CCOC(=O)[C@]1(COC)CCC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000799159660 578660003 /nfs/dbraw/zinc/66/00/03/578660003.db2.gz KJLVTOWPXCLZNK-QGZVFWFLSA-N 1 2 333.388 0.969 20 30 ECEDLO CCOC(=O)[C@]1(COC)CCC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000799159660 578660004 /nfs/dbraw/zinc/66/00/04/578660004.db2.gz KJLVTOWPXCLZNK-QGZVFWFLSA-N 1 2 333.388 0.969 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1=O ZINC000799177130 578660670 /nfs/dbraw/zinc/66/06/70/578660670.db2.gz IEBFVLNSEKIXNX-CQSZACIVSA-N 1 2 343.387 0.926 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1=O ZINC000799177130 578660671 /nfs/dbraw/zinc/66/06/71/578660671.db2.gz IEBFVLNSEKIXNX-CQSZACIVSA-N 1 2 343.387 0.926 20 30 ECEDLO C=C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)C(=O)OC ZINC000799978478 578672464 /nfs/dbraw/zinc/67/24/64/578672464.db2.gz HFLURQUGBDLWLA-SECBINFHSA-N 1 2 330.328 0.618 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000782999719 578737151 /nfs/dbraw/zinc/73/71/51/578737151.db2.gz MCUHTOCNOGBORG-UHFFFAOYSA-N 1 2 326.422 0.548 20 30 ECEDLO C#CCCCNC(=O)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000785851280 578776335 /nfs/dbraw/zinc/77/63/35/578776335.db2.gz LGCIJYYYIMGTEM-UHFFFAOYSA-N 1 2 330.388 0.064 20 30 ECEDLO N#CC1(COC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000786997929 578798915 /nfs/dbraw/zinc/79/89/15/578798915.db2.gz AFNZTZPGQKYPQY-AWEZNQCLSA-N 1 2 335.404 0.547 20 30 ECEDLO C[C@H](OC(=O)c1cccc(CC#N)c1)C(=O)NCC[NH+]1CCOCC1 ZINC000788106241 578827756 /nfs/dbraw/zinc/82/77/56/578827756.db2.gz JTAUZGQWKJXOAG-AWEZNQCLSA-N 1 2 345.399 0.746 20 30 ECEDLO N#C[C@H](C(=O)C[N@H+]1CCC[C@H](O)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000789317697 578851746 /nfs/dbraw/zinc/85/17/46/578851746.db2.gz QUVYYOSONUGVSO-WCQYABFASA-N 1 2 326.356 0.968 20 30 ECEDLO N#C[C@H](C(=O)C[N@@H+]1CCC[C@H](O)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000789317697 578851747 /nfs/dbraw/zinc/85/17/47/578851747.db2.gz QUVYYOSONUGVSO-WCQYABFASA-N 1 2 326.356 0.968 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC2CC(OCC)C2)CC1 ZINC000789756629 578859153 /nfs/dbraw/zinc/85/91/53/578859153.db2.gz DTLGOFMFBSOWER-UHFFFAOYSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC2CC(OCC)C2)CC1 ZINC000789756629 578859154 /nfs/dbraw/zinc/85/91/54/578859154.db2.gz DTLGOFMFBSOWER-UHFFFAOYSA-N 1 2 335.448 0.475 20 30 ECEDLO C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1nnnn1C1CC1 ZINC000792470430 578909155 /nfs/dbraw/zinc/90/91/55/578909155.db2.gz RWVPCXPIDYSCCR-NSHDSACASA-N 1 2 325.376 0.847 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1)[C@H]1CCCO1 ZINC000793867866 578941841 /nfs/dbraw/zinc/94/18/41/578941841.db2.gz TYRDLYXXBTVTDD-DLBZAZTESA-N 1 2 341.411 0.415 20 30 ECEDLO C#CCOCCOC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000766396422 579086848 /nfs/dbraw/zinc/08/68/48/579086848.db2.gz CJOIEPZYVWYBBD-UHFFFAOYSA-N 1 2 345.399 0.703 20 30 ECEDLO N#Cc1c2c(cn(C[NH+]3CCC4(CNC(=O)C4)CC3)c1=O)CCC2 ZINC000766637011 579090488 /nfs/dbraw/zinc/09/04/88/579090488.db2.gz LAMYNNKSNSADQP-UHFFFAOYSA-N 1 2 326.400 0.768 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(C#N)cc2OC)CC1 ZINC000766936286 579097959 /nfs/dbraw/zinc/09/79/59/579097959.db2.gz GFNAAHRVQDKYHA-UHFFFAOYSA-N 1 2 348.428 0.152 20 30 ECEDLO CCOC(=O)c1n[nH]c(C2CC[NH+](CC(=O)NCCC#N)CC2)n1 ZINC000770035016 579158193 /nfs/dbraw/zinc/15/81/93/579158193.db2.gz VSXJJBIRDXUUCN-UHFFFAOYSA-N 1 2 334.380 0.191 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2cnn(CC(=O)NC3CCCC3)c2)CC1 ZINC000772063438 579199974 /nfs/dbraw/zinc/19/99/74/579199974.db2.gz GEVGUEMPAKAVQS-UHFFFAOYSA-N 1 2 343.431 0.333 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)OCCCS(=O)(=O)CCOC)CC1 ZINC000772111375 579200565 /nfs/dbraw/zinc/20/05/65/579200565.db2.gz ZQGMTSCPTVUIRX-UHFFFAOYSA-N 1 2 331.434 0.326 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C)[C@H]1CCCO1 ZINC000773792733 579234105 /nfs/dbraw/zinc/23/41/05/579234105.db2.gz FJASIZOJGRIRSF-GXTWGEPZSA-N 1 2 330.388 0.692 20 30 ECEDLO CON=CC(=O)N1CC[NH+](CCNC(=O)c2ccc(OC)cc2)CC1 ZINC000773954393 579237048 /nfs/dbraw/zinc/23/70/48/579237048.db2.gz IBPYJZROXXAIRN-UHFFFAOYSA-N 1 2 348.403 0.201 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)NCc1cn2ccccc2[nH+]1)[C@@H]1CCCO1 ZINC000775123709 579262897 /nfs/dbraw/zinc/26/28/97/579262897.db2.gz VZJUCQXITHAFKH-KGLIPLIRSA-N 1 2 326.356 0.248 20 30 ECEDLO C#C[C@@H]([NH2+]CC(=O)Nc1ccc(S(C)(=O)=O)cc1)[C@H]1CCCO1 ZINC000775784255 579271071 /nfs/dbraw/zinc/27/10/71/579271071.db2.gz HDEWPSYPYDFDKA-HUUCEWRRSA-N 1 2 336.413 0.799 20 30 ECEDLO C#C[C@@H]([NH2+]Cc1nnc2n1c1ccsc1c(=O)n2C)[C@H]1CCCO1 ZINC000775791388 579271387 /nfs/dbraw/zinc/27/13/87/579271387.db2.gz UXHJFDWKFWNARO-ZYHUDNBSSA-N 1 2 343.412 0.913 20 30 ECEDLO C#CCCN1CC[NH+]([C@H](C)C(=O)N2CCC(C(=O)OCC)CC2)CC1 ZINC000776592891 579285463 /nfs/dbraw/zinc/28/54/63/579285463.db2.gz PCDWOTYWZDWUKQ-MRXNPFEDSA-N 1 2 349.475 0.818 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000761031847 579519795 /nfs/dbraw/zinc/51/97/95/579519795.db2.gz WZBVENQUGWISPS-INIZCTEOSA-N 1 2 337.420 0.898 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(SC)cc2)CC1 ZINC000761031673 579519801 /nfs/dbraw/zinc/51/98/01/579519801.db2.gz UACJCQSFKFUOCV-UHFFFAOYSA-N 1 2 339.486 0.994 20 30 ECEDLO CCOC(=O)[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000741246392 579769145 /nfs/dbraw/zinc/76/91/45/579769145.db2.gz GLXJZIMCGIKSJB-ZBFHGGJFSA-N 1 2 334.372 0.562 20 30 ECEDLO CCOC(=O)[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000741246392 579769146 /nfs/dbraw/zinc/76/91/46/579769146.db2.gz GLXJZIMCGIKSJB-ZBFHGGJFSA-N 1 2 334.372 0.562 20 30 ECEDLO C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000746435722 579839208 /nfs/dbraw/zinc/83/92/08/579839208.db2.gz QRUUKTHWJFAJJI-JSGCOSHPSA-N 1 2 341.375 0.651 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000747967254 579855749 /nfs/dbraw/zinc/85/57/49/579855749.db2.gz QGTFBPGTFXTQAI-INIZCTEOSA-N 1 2 345.399 0.490 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000747967254 579855750 /nfs/dbraw/zinc/85/57/50/579855750.db2.gz QGTFBPGTFXTQAI-INIZCTEOSA-N 1 2 345.399 0.490 20 30 ECEDLO CCc1ccccc1N1CC(=O)C(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)=N1 ZINC000834480847 588902165 /nfs/dbraw/zinc/90/21/65/588902165.db2.gz XAQSHEQHXRBIBF-STQMWFEESA-N 1 2 325.372 0.982 20 30 ECEDLO C#CCCN(CC(F)(F)F)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000867118036 588904501 /nfs/dbraw/zinc/90/45/01/588904501.db2.gz XQJMWBWCDDWZNI-NSHDSACASA-N 1 2 328.356 0.534 20 30 ECEDLO C#CCCN(CC(F)(F)F)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000867118036 588904503 /nfs/dbraw/zinc/90/45/03/588904503.db2.gz XQJMWBWCDDWZNI-NSHDSACASA-N 1 2 328.356 0.534 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3nccnc3c2)C1 ZINC000891607987 586180843 /nfs/dbraw/zinc/18/08/43/586180843.db2.gz SMFIFDXYNJGCGF-AWEZNQCLSA-N 1 2 337.383 0.782 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3nccnc3c2)C1 ZINC000891607987 586180845 /nfs/dbraw/zinc/18/08/45/586180845.db2.gz SMFIFDXYNJGCGF-AWEZNQCLSA-N 1 2 337.383 0.782 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC)c(C#N)c2)C1 ZINC000891604630 586181124 /nfs/dbraw/zinc/18/11/24/586181124.db2.gz ZVFXTXPKXYFEAJ-OAHLLOKOSA-N 1 2 340.383 0.719 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC)c(C#N)c2)C1 ZINC000891604630 586181125 /nfs/dbraw/zinc/18/11/25/586181125.db2.gz ZVFXTXPKXYFEAJ-OAHLLOKOSA-N 1 2 340.383 0.719 20 30 ECEDLO C#CC1(O)CN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)C1 ZINC000891831058 586199282 /nfs/dbraw/zinc/19/92/82/586199282.db2.gz MTKKMJRLPABTMA-ZIAGYGMSSA-N 1 2 344.415 0.585 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2cn(C)nc2Br)CC1 ZINC000895885434 586210519 /nfs/dbraw/zinc/21/05/19/586210519.db2.gz PPHKUNUZGTWJJQ-UHFFFAOYSA-N 1 2 325.210 0.964 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2sccc2OC)CC1 ZINC000895916092 586212941 /nfs/dbraw/zinc/21/29/41/586212941.db2.gz VLJUIONVENTGIT-UHFFFAOYSA-N 1 2 329.447 0.342 20 30 ECEDLO C[C@H]1C[N@H+](CCNC(=O)N2CCC3(CC2)CC(=O)C=CO3)CCO1 ZINC000892596295 586275663 /nfs/dbraw/zinc/27/56/63/586275663.db2.gz OSSNTABIXXZSFV-AWEZNQCLSA-N 1 2 337.420 0.754 20 30 ECEDLO C[C@H]1C[N@@H+](CCNC(=O)N2CCC3(CC2)CC(=O)C=CO3)CCO1 ZINC000892596295 586275664 /nfs/dbraw/zinc/27/56/64/586275664.db2.gz OSSNTABIXXZSFV-AWEZNQCLSA-N 1 2 337.420 0.754 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(NS(=O)(=O)CC)CC1 ZINC000903006312 586765242 /nfs/dbraw/zinc/76/52/42/586765242.db2.gz KWQAXCQRODTLKJ-CYBMUJFWSA-N 1 2 344.481 0.398 20 30 ECEDLO C=CCN(C(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)C(C)C ZINC000839246866 586843677 /nfs/dbraw/zinc/84/36/77/586843677.db2.gz LBDXRRRFKVZZBS-UHFFFAOYSA-N 1 2 325.453 0.979 20 30 ECEDLO C=CCN(C(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)C(C)C ZINC000839246866 586843681 /nfs/dbraw/zinc/84/36/81/586843681.db2.gz LBDXRRRFKVZZBS-UHFFFAOYSA-N 1 2 325.453 0.979 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC000803711217 587068312 /nfs/dbraw/zinc/06/83/12/587068312.db2.gz RNTCYDLDUGRBFM-HNNXBMFYSA-N 1 2 342.399 0.280 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC000803711217 587068314 /nfs/dbraw/zinc/06/83/14/587068314.db2.gz RNTCYDLDUGRBFM-HNNXBMFYSA-N 1 2 342.399 0.280 20 30 ECEDLO Cc1cc([N+](=O)[O-])ccc1N[NH+]=Cc1c(N)n(C)c(=O)n(C)c1=O ZINC000807990191 587140866 /nfs/dbraw/zinc/14/08/66/587140866.db2.gz WVVMCZVHIWDODR-UHFFFAOYSA-N 1 2 332.320 0.329 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)[C@@H]1CCCO1 ZINC000809310814 587174608 /nfs/dbraw/zinc/17/46/08/587174608.db2.gz SCVSUSVJPQZELV-OAGGEKHMSA-N 1 2 343.383 0.358 20 30 ECEDLO C#CCC[C@H](O)CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000811492734 587220302 /nfs/dbraw/zinc/22/03/02/587220302.db2.gz APXVYBIPVYJKGJ-GJZGRUSLSA-N 1 2 334.420 0.374 20 30 ECEDLO C#CCC[C@H](O)CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000811492734 587220304 /nfs/dbraw/zinc/22/03/04/587220304.db2.gz APXVYBIPVYJKGJ-GJZGRUSLSA-N 1 2 334.420 0.374 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000813376668 587252157 /nfs/dbraw/zinc/25/21/57/587252157.db2.gz STUUKPIDIUQQGD-RHSMWYFYSA-N 1 2 342.403 0.067 20 30 ECEDLO Cn1cc(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)c(Cl)n1 ZINC000815165867 587283779 /nfs/dbraw/zinc/28/37/79/587283779.db2.gz SYWWMSHWCBPQSI-UHFFFAOYSA-N 1 2 339.827 0.690 20 30 ECEDLO CON(C)C(=O)CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000817791212 587384545 /nfs/dbraw/zinc/38/45/45/587384545.db2.gz SHRYWRLMMWKNHH-UHFFFAOYSA-N 1 2 345.403 0.405 20 30 ECEDLO CNC(=O)COc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)c(C)c1 ZINC000819480125 587480464 /nfs/dbraw/zinc/48/04/64/587480464.db2.gz AXJXPQHVBBWCDY-CQSZACIVSA-N 1 2 334.420 0.738 20 30 ECEDLO CNC(=O)COc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c(C)c1 ZINC000819480125 587480465 /nfs/dbraw/zinc/48/04/65/587480465.db2.gz AXJXPQHVBBWCDY-CQSZACIVSA-N 1 2 334.420 0.738 20 30 ECEDLO Cn1cc[nH+]c1CNc1ccc(C(=O)N[C@H]2CCN(O)C2=O)cc1 ZINC000820127969 587511559 /nfs/dbraw/zinc/51/15/59/587511559.db2.gz SOMNYCOWIXCPLK-ZDUSSCGKSA-N 1 2 329.360 0.752 20 30 ECEDLO C#C[C@@H](C)NC(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000820436733 587533903 /nfs/dbraw/zinc/53/39/03/587533903.db2.gz YZFOHSJCNZBUQV-CQSZACIVSA-N 1 2 346.406 0.904 20 30 ECEDLO C#CCCCOc1ccc[nH+]c1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000820671034 587548536 /nfs/dbraw/zinc/54/85/36/587548536.db2.gz ZUFAHNHZPASVBF-CYBMUJFWSA-N 1 2 328.372 0.021 20 30 ECEDLO C#C[C@H](CC)NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000821567872 587600674 /nfs/dbraw/zinc/60/06/74/587600674.db2.gz YQQDPQOFZIXBDM-GFCCVEGCSA-N 1 2 327.392 0.607 20 30 ECEDLO C#CCNC(=S)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823850249 587745877 /nfs/dbraw/zinc/74/58/77/587745877.db2.gz LNSOHIPNNVEMKG-UHFFFAOYSA-N 1 2 341.444 0.492 20 30 ECEDLO N#CC[C@@]1(O)CCN(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000826051987 587985304 /nfs/dbraw/zinc/98/53/04/587985304.db2.gz KPJUZUVKIGOEOQ-MRXNPFEDSA-N 1 2 326.360 0.827 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](OC)C2CCCCC2)CC1 ZINC000826550436 588069147 /nfs/dbraw/zinc/06/91/47/588069147.db2.gz SDCVECYXCVNJGQ-SFHVURJKSA-N 1 2 349.475 0.865 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](OC)C2CCCCC2)CC1 ZINC000826550436 588069148 /nfs/dbraw/zinc/06/91/48/588069148.db2.gz SDCVECYXCVNJGQ-SFHVURJKSA-N 1 2 349.475 0.865 20 30 ECEDLO C#CCC1(O)CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000829455495 588325465 /nfs/dbraw/zinc/32/54/65/588325465.db2.gz VHXOICNCIFWCOZ-CVEARBPZSA-N 1 2 336.432 0.243 20 30 ECEDLO C#CC[C@H]1CCC[N@@H+](CC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000829769650 588340840 /nfs/dbraw/zinc/34/08/40/588340840.db2.gz YOPPCSNQDBVZPA-GJZGRUSLSA-N 1 2 326.462 0.757 20 30 ECEDLO C#CC[C@H]1CCC[N@H+](CC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000829769650 588340842 /nfs/dbraw/zinc/34/08/42/588340842.db2.gz YOPPCSNQDBVZPA-GJZGRUSLSA-N 1 2 326.462 0.757 20 30 ECEDLO Cc1nn(C)c(N2CC[NH+](C[C@@H]3CN(C4CC4)C(=O)O3)CC2)c1C#N ZINC000844320134 589107835 /nfs/dbraw/zinc/10/78/35/589107835.db2.gz HUDRBVUDTPBWIC-CQSZACIVSA-N 1 2 344.419 0.705 20 30 ECEDLO C#CCOc1ccc(CNS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)cc1 ZINC000867354627 589109950 /nfs/dbraw/zinc/10/99/50/589109950.db2.gz HHDKTBKPCWPZHL-MRXNPFEDSA-N 1 2 338.429 0.449 20 30 ECEDLO C#CCOc1ccc(CNS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000867354627 589109951 /nfs/dbraw/zinc/10/99/51/589109951.db2.gz HHDKTBKPCWPZHL-MRXNPFEDSA-N 1 2 338.429 0.449 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2cc(F)cc(C#N)c2)[C@@H](C)C[N@@H+]1CCO ZINC000867414767 589198589 /nfs/dbraw/zinc/19/85/89/589198589.db2.gz AVOBDMCUZMOFIZ-NEPJUHHUSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2cc(F)cc(C#N)c2)[C@@H](C)C[N@H+]1CCO ZINC000867414767 589198590 /nfs/dbraw/zinc/19/85/90/589198590.db2.gz AVOBDMCUZMOFIZ-NEPJUHHUSA-N 1 2 341.408 0.773 20 30 ECEDLO C#CCN(CC(=O)OC(C)(C)C)C(=S)NCC[NH+]1CCOCC1 ZINC000849283852 589324688 /nfs/dbraw/zinc/32/46/88/589324688.db2.gz ZGCPTDTWSROXOB-UHFFFAOYSA-N 1 2 341.477 0.470 20 30 ECEDLO C#CCCN(CCOC)C(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000850711528 589381580 /nfs/dbraw/zinc/38/15/80/589381580.db2.gz DPZYTWDSYRUCJF-OAHLLOKOSA-N 1 2 346.431 0.624 20 30 ECEDLO N#Cc1c2c(cn(C[N@@H+]3CC[C@H]4NC(=O)CC[C@@H]4C3)c1=O)CCC2 ZINC000853560477 589549277 /nfs/dbraw/zinc/54/92/77/589549277.db2.gz XGNSROQHKOUSAN-CZUORRHYSA-N 1 2 326.400 0.767 20 30 ECEDLO N#Cc1c2c(cn(C[N@H+]3CC[C@H]4NC(=O)CC[C@@H]4C3)c1=O)CCC2 ZINC000853560477 589549278 /nfs/dbraw/zinc/54/92/78/589549278.db2.gz XGNSROQHKOUSAN-CZUORRHYSA-N 1 2 326.400 0.767 20 30 ECEDLO C#CCOCCC(=O)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000854567875 589593489 /nfs/dbraw/zinc/59/34/89/589593489.db2.gz BXONVWQGYYBFFX-HNNXBMFYSA-N 1 2 326.462 0.693 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2cn(CC(OCC)OCC)nn2)CC1 ZINC000112920007 589616800 /nfs/dbraw/zinc/61/68/00/589616800.db2.gz QQWOKWNSHXYSFH-UHFFFAOYSA-N 1 2 335.408 0.068 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000860716491 589795964 /nfs/dbraw/zinc/79/59/64/589795964.db2.gz RNHLKLUXPGLLPB-AWEZNQCLSA-N 1 2 335.408 0.375 20 30 ECEDLO COC(=O)[C@]1(F)CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000859151309 589803149 /nfs/dbraw/zinc/80/31/49/589803149.db2.gz ABDWIEAQJKFNDV-SFHVURJKSA-N 1 2 344.342 0.873 20 30 ECEDLO COC(=O)[C@]1(F)CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000859151309 589803151 /nfs/dbraw/zinc/80/31/51/589803151.db2.gz ABDWIEAQJKFNDV-SFHVURJKSA-N 1 2 344.342 0.873 20 30 ECEDLO C#CCCOC(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000859229010 589809102 /nfs/dbraw/zinc/80/91/02/589809102.db2.gz WALLMTHGNUCBMF-SFHVURJKSA-N 1 2 332.400 0.999 20 30 ECEDLO C#CCCOC(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000859229010 589809104 /nfs/dbraw/zinc/80/91/04/589809104.db2.gz WALLMTHGNUCBMF-SFHVURJKSA-N 1 2 332.400 0.999 20 30 ECEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1 ZINC000867863252 589855147 /nfs/dbraw/zinc/85/51/47/589855147.db2.gz XMJPNCABHBNCGM-HZPDHXFCSA-N 1 2 335.429 0.275 20 30 ECEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1 ZINC000867863252 589855150 /nfs/dbraw/zinc/85/51/50/589855150.db2.gz XMJPNCABHBNCGM-HZPDHXFCSA-N 1 2 335.429 0.275 20 30 ECEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1 ZINC000868235615 589883433 /nfs/dbraw/zinc/88/34/33/589883433.db2.gz BTJKZJCXVGYPGA-SJORKVTESA-N 1 2 327.432 0.570 20 30 ECEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1 ZINC000868235615 589883434 /nfs/dbraw/zinc/88/34/34/589883434.db2.gz BTJKZJCXVGYPGA-SJORKVTESA-N 1 2 327.432 0.570 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870060619 589993467 /nfs/dbraw/zinc/99/34/67/589993467.db2.gz JNDFBRBFIKTTTI-SFHVURJKSA-N 1 2 328.412 0.770 20 30 ECEDLO C=CCN1CCN(C[N@H+]2CCC[C@H](CS(=O)(=O)NC)C2)C1=O ZINC000863342122 590007072 /nfs/dbraw/zinc/00/70/72/590007072.db2.gz ZFTJZYQOGAGGEC-ZDUSSCGKSA-N 1 2 330.454 0.129 20 30 ECEDLO C=CCN1CCN(C[N@@H+]2CCC[C@H](CS(=O)(=O)NC)C2)C1=O ZINC000863342122 590007076 /nfs/dbraw/zinc/00/70/76/590007076.db2.gz ZFTJZYQOGAGGEC-ZDUSSCGKSA-N 1 2 330.454 0.129 20 30 ECEDLO C#CCN1C(=O)C[C@@H]([N@@H+]2CCc3ccc(NC(C)=O)cc3C2)C1=O ZINC000871600801 590082981 /nfs/dbraw/zinc/08/29/81/590082981.db2.gz DTAJAGPLXRHSRG-MRXNPFEDSA-N 1 2 325.368 0.764 20 30 ECEDLO C#CCN1C(=O)C[C@@H]([N@H+]2CCc3ccc(NC(C)=O)cc3C2)C1=O ZINC000871600801 590082983 /nfs/dbraw/zinc/08/29/83/590082983.db2.gz DTAJAGPLXRHSRG-MRXNPFEDSA-N 1 2 325.368 0.764 20 30 ECEDLO CN1CC[N@H+](CC(=O)N(CCC#N)CCC#N)Cc2cccnc21 ZINC000872318773 590114166 /nfs/dbraw/zinc/11/41/66/590114166.db2.gz PUXSSEHHWCDVFV-UHFFFAOYSA-N 1 2 326.404 0.989 20 30 ECEDLO CN1CC[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc2cccnc21 ZINC000872318773 590114168 /nfs/dbraw/zinc/11/41/68/590114168.db2.gz PUXSSEHHWCDVFV-UHFFFAOYSA-N 1 2 326.404 0.989 20 30 ECEDLO CCC(=NNC(=S)NCC[NH+]1CCOCC1)[C@@H]1CCCOC1 ZINC000872329683 590114556 /nfs/dbraw/zinc/11/45/56/590114556.db2.gz VQDFFGYNTAFLGS-CYBMUJFWSA-N 1 2 328.482 0.975 20 30 ECEDLO C#CCNC(=O)C1CCN(C(=O)[C@H]2CCC[N@@H+](CC(F)F)C2)CC1 ZINC000865062202 590122925 /nfs/dbraw/zinc/12/29/25/590122925.db2.gz VGXRVSMTPYIXCD-AWEZNQCLSA-N 1 2 341.402 0.952 20 30 ECEDLO C#CCNC(=O)C1CCN(C(=O)[C@H]2CCC[N@H+](CC(F)F)C2)CC1 ZINC000865062202 590122926 /nfs/dbraw/zinc/12/29/26/590122926.db2.gz VGXRVSMTPYIXCD-AWEZNQCLSA-N 1 2 341.402 0.952 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnn(CC)c2C)CC1 ZINC000865178022 590129959 /nfs/dbraw/zinc/12/99/59/590129959.db2.gz QTQMFLUMVRNUDH-UHFFFAOYSA-N 1 2 331.420 0.109 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnn(CC)c2C)CC1 ZINC000865178022 590129961 /nfs/dbraw/zinc/12/99/61/590129961.db2.gz QTQMFLUMVRNUDH-UHFFFAOYSA-N 1 2 331.420 0.109 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(NC)c(F)c2)CC1 ZINC000874382938 590237222 /nfs/dbraw/zinc/23/72/22/590237222.db2.gz NYGSGNHVXDKKFC-UHFFFAOYSA-N 1 2 346.406 0.765 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(NC)c(F)c2)CC1 ZINC000874382938 590237224 /nfs/dbraw/zinc/23/72/24/590237224.db2.gz NYGSGNHVXDKKFC-UHFFFAOYSA-N 1 2 346.406 0.765 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000875022414 590263231 /nfs/dbraw/zinc/26/32/31/590263231.db2.gz LXJORTKWQKEYLD-CQSZACIVSA-N 1 2 342.399 0.538 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC(F)(F)[C@H](C(=O)OCC)C1 ZINC000879370059 590308530 /nfs/dbraw/zinc/30/85/30/590308530.db2.gz LTKBIIKCADUPKY-JTQLQIEISA-N 1 2 333.335 0.519 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC(F)(F)[C@H](C(=O)OCC)C1 ZINC000879370059 590308533 /nfs/dbraw/zinc/30/85/33/590308533.db2.gz LTKBIIKCADUPKY-JTQLQIEISA-N 1 2 333.335 0.519 20 30 ECEDLO NC(=O)C1([NH2+]CC#Cc2ccccc2Cl)CCS(=O)(=O)CC1 ZINC000879411199 590310146 /nfs/dbraw/zinc/31/01/46/590310146.db2.gz NKCYEAKJBJGCGB-UHFFFAOYSA-N 1 2 340.832 0.714 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000875596380 590311844 /nfs/dbraw/zinc/31/18/44/590311844.db2.gz LVKIIPRDWCLNKX-GOEBONIOSA-N 1 2 345.399 0.606 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000875595775 590312023 /nfs/dbraw/zinc/31/20/23/590312023.db2.gz CQRAEKVZYZITCD-WBVHZDCISA-N 1 2 343.427 0.834 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000875595775 590312025 /nfs/dbraw/zinc/31/20/25/590312025.db2.gz CQRAEKVZYZITCD-WBVHZDCISA-N 1 2 343.427 0.834 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000875597016 590312333 /nfs/dbraw/zinc/31/23/33/590312333.db2.gz YBGMDLLUISOVEI-HUUCEWRRSA-N 1 2 346.431 0.671 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000875602830 590314018 /nfs/dbraw/zinc/31/40/18/590314018.db2.gz MSNPCZAQTJELTK-UONOGXRCSA-N 1 2 332.404 0.281 20 30 ECEDLO CCS(=O)(=O)NCC[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000879588141 590326395 /nfs/dbraw/zinc/32/63/95/590326395.db2.gz AOAUSYHLVZGPKC-UHFFFAOYSA-N 1 2 340.424 0.759 20 30 ECEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c1 ZINC000879929635 590351539 /nfs/dbraw/zinc/35/15/39/590351539.db2.gz JRBRITHKMMNCHD-JKSUJKDBSA-N 1 2 347.440 0.541 20 30 ECEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c1 ZINC000879929635 590351542 /nfs/dbraw/zinc/35/15/42/590351542.db2.gz JRBRITHKMMNCHD-JKSUJKDBSA-N 1 2 347.440 0.541 20 30 ECEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(CO)(CO)CC2)C1=O ZINC000879970695 590356777 /nfs/dbraw/zinc/35/67/77/590356777.db2.gz YCVPVSYZPNDSSM-CYBMUJFWSA-N 1 2 335.429 0.792 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000880017018 590361373 /nfs/dbraw/zinc/36/13/73/590361373.db2.gz ZGALCTDVGPXXCX-BMFZPTHFSA-N 1 2 341.477 0.751 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000880017018 590361374 /nfs/dbraw/zinc/36/13/74/590361374.db2.gz ZGALCTDVGPXXCX-BMFZPTHFSA-N 1 2 341.477 0.751 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2nc(C(F)(F)F)n[nH]2)C1 ZINC000888829564 590415886 /nfs/dbraw/zinc/41/58/86/590415886.db2.gz ITHZQKUXXRKWTI-SECBINFHSA-N 1 2 330.314 0.720 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2nc(C(F)(F)F)n[nH]2)C1 ZINC000888829564 590415889 /nfs/dbraw/zinc/41/58/89/590415889.db2.gz ITHZQKUXXRKWTI-SECBINFHSA-N 1 2 330.314 0.720 20 30 ECEDLO C#CC[N@H+](C[C@H]1CC2(CO1)CCOCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000878237707 590508512 /nfs/dbraw/zinc/50/85/12/590508512.db2.gz ORUBDBZGNFIBMY-HUUCEWRRSA-N 1 2 327.446 0.694 20 30 ECEDLO C#CC[N@@H+](C[C@H]1CC2(CO1)CCOCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000878237707 590508513 /nfs/dbraw/zinc/50/85/13/590508513.db2.gz ORUBDBZGNFIBMY-HUUCEWRRSA-N 1 2 327.446 0.694 20 30 ECEDLO N#C[C@@]12CN(C(=O)c3ccc4[nH+]ccn4c3)C[C@@H]1CS(=O)(=O)C2 ZINC000885318351 590716007 /nfs/dbraw/zinc/71/60/07/590716007.db2.gz MZTWCKBOBQJEJU-DOMZBBRYSA-N 1 2 330.369 0.345 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000884054204 590722580 /nfs/dbraw/zinc/72/25/80/590722580.db2.gz VASTXTYWLQFFTG-STQMWFEESA-N 1 2 334.372 0.731 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000885513915 590729579 /nfs/dbraw/zinc/72/95/79/590729579.db2.gz JVCCIXVDRZHKLA-LBPRGKRZSA-N 1 2 349.412 0.393 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000885513915 590729583 /nfs/dbraw/zinc/72/95/83/590729583.db2.gz JVCCIXVDRZHKLA-LBPRGKRZSA-N 1 2 349.412 0.393 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)OC)co2)C1 ZINC000885512015 590729951 /nfs/dbraw/zinc/72/99/51/590729951.db2.gz QOYDHFZDIZNFHU-GFCCVEGCSA-N 1 2 326.374 0.442 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)OC)co2)C1 ZINC000885512015 590729955 /nfs/dbraw/zinc/72/99/55/590729955.db2.gz QOYDHFZDIZNFHU-GFCCVEGCSA-N 1 2 326.374 0.442 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(C(=O)N(C)C)c2)C1 ZINC000885511381 590729974 /nfs/dbraw/zinc/72/99/74/590729974.db2.gz HEBFJPNQOMJYBH-OAHLLOKOSA-N 1 2 349.456 0.764 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(C(=O)N(C)C)c2)C1 ZINC000885511381 590729978 /nfs/dbraw/zinc/72/99/78/590729978.db2.gz HEBFJPNQOMJYBH-OAHLLOKOSA-N 1 2 349.456 0.764 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000886091953 590794345 /nfs/dbraw/zinc/79/43/45/590794345.db2.gz KQGDBODHJKQOAE-LSDHHAIUSA-N 1 2 327.450 0.029 20 30 ECEDLO CCS(=O)(=O)N1CC[N@H+](C[C@H](O)CC2(C#N)CCC2)[C@H](C)C1 ZINC000886206394 590812657 /nfs/dbraw/zinc/81/26/57/590812657.db2.gz RXRSMRRFCDRASD-ZIAGYGMSSA-N 1 2 329.466 0.787 20 30 ECEDLO CCS(=O)(=O)N1CC[N@@H+](C[C@H](O)CC2(C#N)CCC2)[C@H](C)C1 ZINC000886206394 590812658 /nfs/dbraw/zinc/81/26/58/590812658.db2.gz RXRSMRRFCDRASD-ZIAGYGMSSA-N 1 2 329.466 0.787 20 30 ECEDLO COC(=O)[C@H]1CCC(=NNC(=S)NCC[NH+]2CCOCC2)C1 ZINC000884381072 590817276 /nfs/dbraw/zinc/81/72/76/590817276.db2.gz UNCWJHOHTMUBNF-NSHDSACASA-N 1 2 328.438 0.112 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@]1(C)COc2ccccc2O1 ZINC000884428539 590825771 /nfs/dbraw/zinc/82/57/71/590825771.db2.gz GLKUPNKSOKDJHX-YVEFUNNKSA-N 1 2 334.372 0.779 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C1 ZINC000884461632 590834563 /nfs/dbraw/zinc/83/45/63/590834563.db2.gz KDPWWNYCUDDTEE-KPWVOAKYSA-N 1 2 339.383 0.694 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C1 ZINC000884461632 590834566 /nfs/dbraw/zinc/83/45/66/590834566.db2.gz KDPWWNYCUDDTEE-KPWVOAKYSA-N 1 2 339.383 0.694 20 30 ECEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCCn3nncc3C2)cc1 ZINC000886450154 590848944 /nfs/dbraw/zinc/84/89/44/590848944.db2.gz PHCBDARDHZBJGS-MRXNPFEDSA-N 1 2 327.388 0.990 20 30 ECEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCCn3nncc3C2)cc1 ZINC000886450154 590848947 /nfs/dbraw/zinc/84/89/47/590848947.db2.gz PHCBDARDHZBJGS-MRXNPFEDSA-N 1 2 327.388 0.990 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](CC)[C@@](F)(C(=O)OCC)C1 ZINC000886870443 590896780 /nfs/dbraw/zinc/89/67/80/590896780.db2.gz YCZLXXOXCNRDHV-XHDPSFHLSA-N 1 2 329.372 0.611 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](CC)[C@@](F)(C(=O)OCC)C1 ZINC000886870443 590896786 /nfs/dbraw/zinc/89/67/86/590896786.db2.gz YCZLXXOXCNRDHV-XHDPSFHLSA-N 1 2 329.372 0.611 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CCN(c2nc(N)[nH+]c(C3CC3)n2)CC1 ZINC000887622181 590984472 /nfs/dbraw/zinc/98/44/72/590984472.db2.gz KNCBZBZQHBXEMU-NSHDSACASA-N 1 2 330.392 0.018 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CCN(c2nc(N)nc(C3CC3)[nH+]2)CC1 ZINC000887622181 590984475 /nfs/dbraw/zinc/98/44/75/590984475.db2.gz KNCBZBZQHBXEMU-NSHDSACASA-N 1 2 330.392 0.018 20 30 ECEDLO N#Cc1ccc(F)c(NC(=O)N(CCO)CC[NH+]2CCOCC2)c1 ZINC000828754035 591169753 /nfs/dbraw/zinc/16/97/53/591169753.db2.gz RUCRMAVPAPOPKP-UHFFFAOYSA-N 1 2 336.367 0.856 20 30 ECEDLO O=C(C#CC1CC1)N1CCC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000946696656 611418319 /nfs/dbraw/zinc/41/83/19/611418319.db2.gz XBOHTRDWEIBCEC-HNNXBMFYSA-N 1 2 340.427 0.966 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1cnn(C)n1 ZINC000947170656 611441645 /nfs/dbraw/zinc/44/16/45/611441645.db2.gz JQBHSKKKIGXSOW-YPMHNXCESA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1Cc1cnn(C)n1 ZINC000947170656 611441647 /nfs/dbraw/zinc/44/16/47/611441647.db2.gz JQBHSKKKIGXSOW-YPMHNXCESA-N 1 2 327.392 0.798 20 30 ECEDLO N#C[C@]1(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCSC1 ZINC000931298463 611529780 /nfs/dbraw/zinc/52/97/80/611529780.db2.gz RFADDGQVPKLJFU-VNHYZAJKSA-N 1 2 325.434 0.382 20 30 ECEDLO C#CC[N@@H+](CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O)C(C)(C)C ZINC000932464734 611630409 /nfs/dbraw/zinc/63/04/09/611630409.db2.gz KCWQHGSHRNRVNB-UHFFFAOYSA-N 1 2 348.447 0.702 20 30 ECEDLO C#CC[N@H+](CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O)C(C)(C)C ZINC000932464734 611630410 /nfs/dbraw/zinc/63/04/10/611630410.db2.gz KCWQHGSHRNRVNB-UHFFFAOYSA-N 1 2 348.447 0.702 20 30 ECEDLO CC(C)(C(=O)N1CCC2(CC1)CN(CC#N)CCO2)c1c[nH+]c[nH]1 ZINC000949512055 608725597 /nfs/dbraw/zinc/72/55/97/608725597.db2.gz FVIQKSWDVRZXMO-UHFFFAOYSA-N 1 2 331.420 0.904 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)Cn2cc[nH+]c2)nc1 ZINC000937506277 608838297 /nfs/dbraw/zinc/83/82/97/608838297.db2.gz KAMPGWOCWBPXCE-GJZGRUSLSA-N 1 2 335.367 0.385 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NCC#CCO ZINC000923782403 608941734 /nfs/dbraw/zinc/94/17/34/608941734.db2.gz MQOZDZVUIAKSDV-QGZVFWFLSA-N 1 2 345.443 0.915 20 30 ECEDLO CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000937063431 608944797 /nfs/dbraw/zinc/94/47/97/608944797.db2.gz TZYNMNFGKSUBKC-ZDUSSCGKSA-N 1 2 340.387 0.535 20 30 ECEDLO C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000936722594 609017200 /nfs/dbraw/zinc/01/72/00/609017200.db2.gz GRPIELINMIPXJG-ULQDDVLXSA-N 1 2 347.459 0.875 20 30 ECEDLO C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000936722594 609017204 /nfs/dbraw/zinc/01/72/04/609017204.db2.gz GRPIELINMIPXJG-ULQDDVLXSA-N 1 2 347.459 0.875 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nc1 ZINC000938180443 609493807 /nfs/dbraw/zinc/49/38/07/609493807.db2.gz SLXAQJKEJBRPNE-RRFJBIMHSA-N 1 2 349.394 0.920 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nc1 ZINC000938180443 609493811 /nfs/dbraw/zinc/49/38/11/609493811.db2.gz SLXAQJKEJBRPNE-RRFJBIMHSA-N 1 2 349.394 0.920 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)cn1 ZINC000938374018 609760172 /nfs/dbraw/zinc/76/01/72/609760172.db2.gz UTQHKYPNHDMKCI-HNNXBMFYSA-N 1 2 337.383 0.668 20 30 ECEDLO C=CCc1ccc(OCC(=O)N2CC[N@H+](C)C[C@@H]2CO)c(OC)c1 ZINC000912750201 610001536 /nfs/dbraw/zinc/00/15/36/610001536.db2.gz WBAFLZVKTQPAPR-OAHLLOKOSA-N 1 2 334.416 0.937 20 30 ECEDLO C=CCc1ccc(OCC(=O)N2CC[N@@H+](C)C[C@@H]2CO)c(OC)c1 ZINC000912750201 610001538 /nfs/dbraw/zinc/00/15/38/610001538.db2.gz WBAFLZVKTQPAPR-OAHLLOKOSA-N 1 2 334.416 0.937 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3)C2)nc1 ZINC000938967142 610058370 /nfs/dbraw/zinc/05/83/70/610058370.db2.gz QTVODOWZHUQTGE-HNNXBMFYSA-N 1 2 337.383 0.633 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC000938982215 610060299 /nfs/dbraw/zinc/06/02/99/610060299.db2.gz RTUFVZXXHCDPID-ZDUSSCGKSA-N 1 2 340.387 0.834 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000939756435 610122625 /nfs/dbraw/zinc/12/26/25/610122625.db2.gz FPUBHMWDGZRSQW-LZWOXQAQSA-N 1 2 346.431 0.911 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(CC)no3)C2)nn1 ZINC000939277195 610146454 /nfs/dbraw/zinc/14/64/54/610146454.db2.gz LTYXWDKJYJIWFG-VXGBXAGGSA-N 1 2 345.407 0.660 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000939908626 610168971 /nfs/dbraw/zinc/16/89/71/610168971.db2.gz RCXOYRHYQZXBDY-CYBMUJFWSA-N 1 2 326.360 0.525 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)[nH]1 ZINC000940049675 610195936 /nfs/dbraw/zinc/19/59/36/610195936.db2.gz MCWVVHKZWDKDBL-JHJVBQTASA-N 1 2 338.371 0.744 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)[nH]1 ZINC000940049675 610195937 /nfs/dbraw/zinc/19/59/37/610195937.db2.gz MCWVVHKZWDKDBL-JHJVBQTASA-N 1 2 338.371 0.744 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000940062747 610198683 /nfs/dbraw/zinc/19/86/83/610198683.db2.gz LDYXGPGRBBHCKA-GFCCVEGCSA-N 1 2 326.360 0.491 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCn3c(C)csc3=O)CC2)C1 ZINC000941436690 610314298 /nfs/dbraw/zinc/31/42/98/610314298.db2.gz CAPRTOKOFVOTIJ-UHFFFAOYSA-N 1 2 348.472 0.070 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CCN(C2C[NH+]([C@@H]3CCCNC3=O)C2)CC1 ZINC000941512441 610352135 /nfs/dbraw/zinc/35/21/35/610352135.db2.gz HYXZGABGRXBUFS-MRXNPFEDSA-N 1 2 348.491 0.696 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@H](C)n3ccc(C)n3)CC2)C1 ZINC000941513859 610352831 /nfs/dbraw/zinc/35/28/31/610352831.db2.gz VMBUYFDHGZSLNZ-INIZCTEOSA-N 1 2 329.448 0.604 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCc4nn(C)cc43)CC2)C1 ZINC000941533718 610365076 /nfs/dbraw/zinc/36/50/76/610365076.db2.gz FRJNBGVGSZOHSJ-MRXNPFEDSA-N 1 2 341.459 0.302 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccc4c3OCC4)CC2)C1 ZINC000941580189 610392750 /nfs/dbraw/zinc/39/27/50/610392750.db2.gz UVNPWSPENZZBEF-UHFFFAOYSA-N 1 2 325.412 0.697 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)c3c(C)noc3C)CC2)C1 ZINC000941605761 610404314 /nfs/dbraw/zinc/40/43/14/610404314.db2.gz YBZVXZJGVQQPNE-ZDUSSCGKSA-N 1 2 330.432 0.857 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)C(=O)N3[C@H](C)CCC[C@@H]3C)CC2)C1 ZINC000941615308 610411109 /nfs/dbraw/zinc/41/11/09/610411109.db2.gz WOZHBRNPFMKAJA-IYBDPMFKSA-N 1 2 346.475 0.238 20 30 ECEDLO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4[nH]cnc4C3)CC2)C1 ZINC000941633011 610419295 /nfs/dbraw/zinc/41/92/95/610419295.db2.gz ZKECYNKDZFGDTG-HNNXBMFYSA-N 1 2 341.459 0.366 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cncnc3C3CC3)CC2)C1 ZINC000941655376 610430256 /nfs/dbraw/zinc/43/02/56/610430256.db2.gz WUNRFXHNXVSKLP-UHFFFAOYSA-N 1 2 325.416 0.429 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3csc(C)n3)CC2)C1 ZINC000941660823 610434038 /nfs/dbraw/zinc/43/40/38/610434038.db2.gz YTWDHOOYGXGTGV-UHFFFAOYSA-N 1 2 332.473 0.846 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c[nH]nc3-c3ccco3)CC2)C1 ZINC000941670162 610444231 /nfs/dbraw/zinc/44/42/31/610444231.db2.gz GWGIVWGIRLCLHD-UHFFFAOYSA-N 1 2 339.399 0.745 20 30 ECEDLO C[NH+](C)[C@H](C(=O)N1CCN(C2CN(CC#N)C2)CC1)c1cccnc1 ZINC000941676660 610449543 /nfs/dbraw/zinc/44/95/43/610449543.db2.gz DDADYEMGDPPNEW-KRWDZBQOSA-N 1 2 342.447 0.036 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCN3C(=O)CCC)CC2)C1 ZINC000941677091 610450018 /nfs/dbraw/zinc/45/00/18/610450018.db2.gz KQNCWAUJOFZHJW-KRWDZBQOSA-N 1 2 346.475 0.239 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cccnc3N(C)C)CC2)C1 ZINC000941665923 610457387 /nfs/dbraw/zinc/45/73/87/610457387.db2.gz KVLZBCMWNVHOFT-UHFFFAOYSA-N 1 2 341.459 0.613 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCCN(C(=O)Cc3c[nH+]c[nH]3)CC2)cn1 ZINC000941775966 610498473 /nfs/dbraw/zinc/49/84/73/610498473.db2.gz BQTATOCNMDHQPG-UHFFFAOYSA-N 1 2 337.383 0.703 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC000942549178 610508457 /nfs/dbraw/zinc/50/84/57/610508457.db2.gz JAOBIAHUCHFXDP-CPUCHLNUSA-N 1 2 334.420 0.827 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000942153016 610676339 /nfs/dbraw/zinc/67/63/39/610676339.db2.gz MMIXPAKTQZTQGN-MGPQQGTHSA-N 1 2 329.404 0.744 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccnn3C3CCC3)CC2)C1 ZINC000941410243 610723281 /nfs/dbraw/zinc/72/32/81/610723281.db2.gz DGYAJZUDFVRMFE-UHFFFAOYSA-N 1 2 327.432 0.683 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)CCn1cc[nH+]c1)CC2 ZINC000944988259 610871156 /nfs/dbraw/zinc/87/11/56/610871156.db2.gz XNJUQGDPRRBZRA-AWEZNQCLSA-N 1 2 329.404 0.884 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC000945029831 610886751 /nfs/dbraw/zinc/88/67/51/610886751.db2.gz CINHEERYFYQZPM-CYBMUJFWSA-N 1 2 329.404 0.573 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCO[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000944659784 611075777 /nfs/dbraw/zinc/07/57/77/611075777.db2.gz UYPVPVXOFGATMP-WCQYABFASA-N 1 2 341.371 0.680 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2[C@H](CCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000945941026 611162316 /nfs/dbraw/zinc/16/23/16/611162316.db2.gz BGQXIDURTMXAPN-ZBFHGGJFSA-N 1 2 326.400 0.815 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]2[C@H](CCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000945948106 611164005 /nfs/dbraw/zinc/16/40/05/611164005.db2.gz VCRQTCWVEJMFHO-HUUCEWRRSA-N 1 2 326.400 0.815 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC000946325500 611220019 /nfs/dbraw/zinc/22/00/19/611220019.db2.gz MWFVQRNXATZZFM-JSGCOSHPSA-N 1 2 340.387 0.867 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CCC[C@H]2NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC000946325512 611220066 /nfs/dbraw/zinc/22/00/66/611220066.db2.gz MWFVQRNXATZZFM-TZMCWYRMSA-N 1 2 340.387 0.867 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](OC)C1 ZINC000946438971 611267166 /nfs/dbraw/zinc/26/71/66/611267166.db2.gz LFWZJPSOMMHZCX-PBFPGSCMSA-N 1 2 334.420 0.897 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2c(C)oc3ncn(C)c(=O)c32)C1 ZINC000923591241 611270920 /nfs/dbraw/zinc/27/09/20/611270920.db2.gz SSOQNTHQPVSGMO-LBPRGKRZSA-N 1 2 328.372 0.662 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2c(C)oc3ncn(C)c(=O)c32)C1 ZINC000923591241 611270922 /nfs/dbraw/zinc/27/09/22/611270922.db2.gz SSOQNTHQPVSGMO-LBPRGKRZSA-N 1 2 328.372 0.662 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000949118974 611861050 /nfs/dbraw/zinc/86/10/50/611861050.db2.gz SCUAZRHHCTUETJ-CVEARBPZSA-N 1 2 346.431 0.829 20 30 ECEDLO O=C(C#CC1CC1)N1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000950764971 611896498 /nfs/dbraw/zinc/89/64/98/611896498.db2.gz YNAOFRCYFLNRJZ-HZPDHXFCSA-N 1 2 340.427 0.966 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CCN2C(=O)Cc2c[nH+]c[nH]2)nn1 ZINC000950196391 611901945 /nfs/dbraw/zinc/90/19/45/611901945.db2.gz JSGSOYCKRRJTQN-CYBMUJFWSA-N 1 2 343.391 0.151 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CC(=O)N(CC)C3)CC2)C1 ZINC000949378930 611957540 /nfs/dbraw/zinc/95/75/40/611957540.db2.gz GCUXYMGTCXYVRN-HNNXBMFYSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CC(=O)N(CC)C3)CC2)C1 ZINC000949378930 611957541 /nfs/dbraw/zinc/95/75/41/611957541.db2.gz GCUXYMGTCXYVRN-HNNXBMFYSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@]3(C)CCNC(=O)C3)CC2)C1 ZINC000949395683 611963455 /nfs/dbraw/zinc/96/34/55/611963455.db2.gz YXILTJXUPKMYGQ-KRWDZBQOSA-N 1 2 333.432 0.229 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@]3(C)CCNC(=O)C3)CC2)C1 ZINC000949395683 611963457 /nfs/dbraw/zinc/96/34/57/611963457.db2.gz YXILTJXUPKMYGQ-KRWDZBQOSA-N 1 2 333.432 0.229 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCn4cncc4C3)CC2)C1 ZINC000949399230 611964608 /nfs/dbraw/zinc/96/46/08/611964608.db2.gz YQKGDUXWRGSPIL-INIZCTEOSA-N 1 2 342.443 0.772 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCn4cncc4C3)CC2)C1 ZINC000949399230 611964610 /nfs/dbraw/zinc/96/46/10/611964610.db2.gz YQKGDUXWRGSPIL-INIZCTEOSA-N 1 2 342.443 0.772 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CC(=O)N[C@H](CC)C3)CC2)C1 ZINC000949423493 611973920 /nfs/dbraw/zinc/97/39/20/611973920.db2.gz DQEFSSUGTMEXQI-HZPDHXFCSA-N 1 2 347.459 0.618 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CC(=O)N[C@H](CC)C3)CC2)C1 ZINC000949423493 611973922 /nfs/dbraw/zinc/97/39/22/611973922.db2.gz DQEFSSUGTMEXQI-HZPDHXFCSA-N 1 2 347.459 0.618 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[NH+](C[C@H](O)CN3CCCC3=O)CC2)C1 ZINC000950383123 611992928 /nfs/dbraw/zinc/99/29/28/611992928.db2.gz RWAQQSVNNBPNHY-HNNXBMFYSA-N 1 2 335.448 0.470 20 30 ECEDLO C=CCN1CC(N(CC)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000950957119 612000194 /nfs/dbraw/zinc/00/01/94/612000194.db2.gz WZUDBOQTQZWTPF-SJORKVTESA-N 1 2 337.464 0.585 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CCN2C(=O)CCc2[nH]cc[nH+]2)c[nH]1 ZINC000949491311 612004011 /nfs/dbraw/zinc/00/40/11/612004011.db2.gz ONOWRPSQXCAIAR-ZDUSSCGKSA-N 1 2 326.360 0.573 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3c(OC)cc[nH]c3=O)CC2)C1 ZINC000949512007 612016038 /nfs/dbraw/zinc/01/60/38/612016038.db2.gz CFRAQKFHGCQHGT-UHFFFAOYSA-N 1 2 345.399 0.736 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3c(OC)cc[nH]c3=O)CC2)C1 ZINC000949512007 612016039 /nfs/dbraw/zinc/01/60/39/612016039.db2.gz CFRAQKFHGCQHGT-UHFFFAOYSA-N 1 2 345.399 0.736 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000953157864 612184230 /nfs/dbraw/zinc/18/42/30/612184230.db2.gz DWCSLIBFMSWDFE-GUYCJALGSA-N 1 2 329.404 0.953 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000951414606 612215797 /nfs/dbraw/zinc/21/57/97/612215797.db2.gz YMYGVUBCYOYNNG-CYBMUJFWSA-N 1 2 340.387 0.583 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)cn1 ZINC000952149044 612248167 /nfs/dbraw/zinc/24/81/67/612248167.db2.gz DKJSYCYYRUTOQF-HNNXBMFYSA-N 1 2 337.383 0.750 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cc1c[nH+]cn1C ZINC000952174873 612264721 /nfs/dbraw/zinc/26/47/21/612264721.db2.gz VPPWVPQWHWLDIO-CFVMTHIKSA-N 1 2 332.404 0.271 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)nc1 ZINC000951491344 612268134 /nfs/dbraw/zinc/26/81/34/612268134.db2.gz CGAJHZDTFVVGDM-OAHLLOKOSA-N 1 2 337.383 0.680 20 30 ECEDLO C=CCn1cccc1C(=O)N(C)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000954548646 612393081 /nfs/dbraw/zinc/39/30/81/612393081.db2.gz SJAGMCSXMDQPHN-UHFFFAOYSA-N 1 2 327.388 0.923 20 30 ECEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CN(C(=O)C#CC2CC2)C1 ZINC000955362171 612499761 /nfs/dbraw/zinc/49/97/61/612499761.db2.gz GPIPRUYPLPAXLF-HUUCEWRRSA-N 1 2 326.400 0.606 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000955366381 612504124 /nfs/dbraw/zinc/50/41/24/612504124.db2.gz QNWPVDXNTLOTKB-CVEARBPZSA-N 1 2 346.431 0.613 20 30 ECEDLO C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000956832341 612602650 /nfs/dbraw/zinc/60/26/50/612602650.db2.gz BKWDAAQWQGYPDH-INIZCTEOSA-N 1 2 326.360 0.504 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCN2C(=O)CCn2cc[nH+]c2)c1 ZINC000956118960 612722792 /nfs/dbraw/zinc/72/27/92/612722792.db2.gz SFODTOHVBCOCEW-AWEZNQCLSA-N 1 2 340.387 0.894 20 30 ECEDLO CN(C(=O)Cc1c[nH+]cn1C)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000954835880 612728972 /nfs/dbraw/zinc/72/89/72/612728972.db2.gz ZPHGKFDRVWIHMD-UHFFFAOYSA-N 1 2 326.360 0.145 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)CCc3[nH]cc[nH+]3)C2)cn1 ZINC000954917396 612786215 /nfs/dbraw/zinc/78/62/15/612786215.db2.gz RVPOJBWRQRVHDY-UHFFFAOYSA-N 1 2 337.383 0.702 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000955797833 612845038 /nfs/dbraw/zinc/84/50/38/612845038.db2.gz OQBJKFIGVGMTII-AAEUAGOBSA-N 1 2 340.387 0.961 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CC[C@@H]([NH+]3CCN(C(=O)C4CC4)CC3)C2)c1 ZINC000956572714 612914746 /nfs/dbraw/zinc/91/47/46/612914746.db2.gz BVTWXWNAUKNUQE-OAHLLOKOSA-N 1 2 341.415 0.655 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCN(C(C)=O)C3)CC2)nc1 ZINC000956601205 612923420 /nfs/dbraw/zinc/92/34/20/612923420.db2.gz MHSSJJYKWRVHEI-MRXNPFEDSA-N 1 2 326.400 0.442 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ncnn1C ZINC001024987224 738461408 /nfs/dbraw/zinc/46/14/08/738461408.db2.gz FYXJFYPPDJRHJG-HOTGVXAUSA-N 1 2 344.463 0.383 20 30 ECEDLO C[C@H](NC(=O)[C@@H]1COC(=O)N1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 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1 2 329.400 0.326 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(=O)n3C)C2)C1 ZINC000972545204 736659412 /nfs/dbraw/zinc/65/94/12/736659412.db2.gz GPADRQNAHBEDQZ-SFHVURJKSA-N 1 2 329.400 0.326 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)C1 ZINC000972564861 736817434 /nfs/dbraw/zinc/81/74/34/736817434.db2.gz NCCUZBBMIDHMMG-SCTDSRPQSA-N 1 2 342.443 0.850 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)C1 ZINC000972564861 736817436 /nfs/dbraw/zinc/81/74/36/736817436.db2.gz NCCUZBBMIDHMMG-SCTDSRPQSA-N 1 2 342.443 0.850 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCCCN3C(C)=O)C2)C1 ZINC000972584951 736965522 /nfs/dbraw/zinc/96/55/22/736965522.db2.gz DDWGCXDGYNKSHO-IEBWSBKVSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCCCN3C(C)=O)C2)C1 ZINC000972584951 736965525 /nfs/dbraw/zinc/96/55/25/736965525.db2.gz DDWGCXDGYNKSHO-IEBWSBKVSA-N 1 2 347.459 0.714 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@]3(C2)C[N@H+](CC#CC)CCO3)nn1 ZINC000972586032 736975622 /nfs/dbraw/zinc/97/56/22/736975622.db2.gz UHMQGNCUYDOBOE-KRWDZBQOSA-N 1 2 329.404 0.404 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@]3(C2)C[N@@H+](CC#CC)CCO3)nn1 ZINC000972586032 736975626 /nfs/dbraw/zinc/97/56/26/736975626.db2.gz UHMQGNCUYDOBOE-KRWDZBQOSA-N 1 2 329.404 0.404 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](CNC(=O)c3[nH]ncc3F)C2)C1=O ZINC001023576282 737032444 /nfs/dbraw/zinc/03/24/44/737032444.db2.gz GVVLSBKBWAAKQM-GXTWGEPZSA-N 1 2 349.410 0.778 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)c3[nH]ncc3F)C2)C1=O ZINC001023576282 737032447 /nfs/dbraw/zinc/03/24/47/737032447.db2.gz GVVLSBKBWAAKQM-GXTWGEPZSA-N 1 2 349.410 0.778 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc4c(cnn4C)c3)C2)C1 ZINC000972613505 737096446 /nfs/dbraw/zinc/09/64/46/737096446.db2.gz DJELOIUVJDJXAD-GOSISDBHSA-N 1 2 339.399 0.518 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc4c(cnn4C)c3)C2)C1 ZINC000972613505 737096448 /nfs/dbraw/zinc/09/64/48/737096448.db2.gz DJELOIUVJDJXAD-GOSISDBHSA-N 1 2 339.399 0.518 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(CC)nn3C)C2)C1 ZINC000972612190 737097408 /nfs/dbraw/zinc/09/74/08/737097408.db2.gz QUVFIESFXGAWOU-SFHVURJKSA-N 1 2 330.432 0.923 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(CC)nn3C)C2)C1 ZINC000972612190 737097411 /nfs/dbraw/zinc/09/74/11/737097411.db2.gz QUVFIESFXGAWOU-SFHVURJKSA-N 1 2 330.432 0.923 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCN(C(=O)CC)C3)C2)C1 ZINC000972628692 737154355 /nfs/dbraw/zinc/15/43/55/737154355.db2.gz UFQWBVCHPQJEEH-QFBILLFUSA-N 1 2 347.459 0.572 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCN(C(=O)CC)C3)C2)C1 ZINC000972628692 737154356 /nfs/dbraw/zinc/15/43/56/737154356.db2.gz UFQWBVCHPQJEEH-QFBILLFUSA-N 1 2 347.459 0.572 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3nncn3C)C2)cn1 ZINC001023711228 737219513 /nfs/dbraw/zinc/21/95/13/737219513.db2.gz XQQUTCBAXSFBNG-CQSZACIVSA-N 1 2 338.415 0.833 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3nncn3C)C2)cn1 ZINC001023711228 737219519 /nfs/dbraw/zinc/21/95/19/737219519.db2.gz XQQUTCBAXSFBNG-CQSZACIVSA-N 1 2 338.415 0.833 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC(=O)N(C)C3)C2)C1 ZINC000972687725 737378084 /nfs/dbraw/zinc/37/80/84/737378084.db2.gz IIZJPPBZHWDRGL-MAUKXSAKSA-N 1 2 333.432 0.181 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC(=O)N(C)C3)C2)C1 ZINC000972687725 737378085 /nfs/dbraw/zinc/37/80/85/737378085.db2.gz IIZJPPBZHWDRGL-MAUKXSAKSA-N 1 2 333.432 0.181 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)N3CCCCC3=O)C2)C1 ZINC000972689778 737388535 /nfs/dbraw/zinc/38/85/35/737388535.db2.gz ZSHFBFGVGBMZLG-MAUKXSAKSA-N 1 2 335.448 0.877 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)N3CCCCC3=O)C2)C1 ZINC000972689778 737388542 /nfs/dbraw/zinc/38/85/42/737388542.db2.gz ZSHFBFGVGBMZLG-MAUKXSAKSA-N 1 2 335.448 0.877 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(CC)n(C)n3)C2)C1 ZINC000972703269 737488135 /nfs/dbraw/zinc/48/81/35/737488135.db2.gz OQLTUDIULWBCPL-SFHVURJKSA-N 1 2 330.432 0.923 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(CC)n(C)n3)C2)C1 ZINC000972703269 737488136 /nfs/dbraw/zinc/48/81/36/737488136.db2.gz OQLTUDIULWBCPL-SFHVURJKSA-N 1 2 330.432 0.923 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(OCC)cn3)C2)C1 ZINC000972703653 737492909 /nfs/dbraw/zinc/49/29/09/737492909.db2.gz RUJNKPZKIZESIL-KRWDZBQOSA-N 1 2 332.404 0.978 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(OCC)cn3)C2)C1 ZINC000972703653 737492913 /nfs/dbraw/zinc/49/29/13/737492913.db2.gz RUJNKPZKIZESIL-KRWDZBQOSA-N 1 2 332.404 0.978 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2cn[nH]n2)C1=O ZINC001024527354 738062284 /nfs/dbraw/zinc/06/22/84/738062284.db2.gz QWKQKGMGAQLRLJ-GXTWGEPZSA-N 1 2 332.408 0.176 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2CNC(=O)c2cn[nH]n2)C1=O ZINC001024527354 738062289 /nfs/dbraw/zinc/06/22/89/738062289.db2.gz QWKQKGMGAQLRLJ-GXTWGEPZSA-N 1 2 332.408 0.176 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CNC(=O)c2cnn[nH]2)C1=O ZINC001024527354 738062294 /nfs/dbraw/zinc/06/22/94/738062294.db2.gz QWKQKGMGAQLRLJ-GXTWGEPZSA-N 1 2 332.408 0.176 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2CNC(=O)c2cnn[nH]2)C1=O ZINC001024527354 738062300 /nfs/dbraw/zinc/06/23/00/738062300.db2.gz QWKQKGMGAQLRLJ-GXTWGEPZSA-N 1 2 332.408 0.176 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cn3ccc(C(F)(F)F)n3)[C@H]2C1 ZINC001083267798 738108363 /nfs/dbraw/zinc/10/83/63/738108363.db2.gz SSZHJWVZBLVSTR-NWDGAFQWSA-N 1 2 342.321 0.447 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3ccc(C(F)(F)F)n3)[C@H]2C1 ZINC001083267798 738108365 /nfs/dbraw/zinc/10/83/65/738108365.db2.gz SSZHJWVZBLVSTR-NWDGAFQWSA-N 1 2 342.321 0.447 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001024795153 738302359 /nfs/dbraw/zinc/30/23/59/738302359.db2.gz BCLKGNUNUBPUQM-LLVKDONJSA-N 1 2 340.811 0.823 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001024795153 738302362 /nfs/dbraw/zinc/30/23/62/738302362.db2.gz BCLKGNUNUBPUQM-LLVKDONJSA-N 1 2 340.811 0.823 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3Cc4cccc(F)c4O3)[C@H]2C1 ZINC001083280483 739280456 /nfs/dbraw/zinc/28/04/56/739280456.db2.gz TVMDCLYQLDJMNU-ARFHVFGLSA-N 1 2 330.359 0.674 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3Cc4cccc(F)c4O3)[C@H]2C1 ZINC001083280483 739280461 /nfs/dbraw/zinc/28/04/61/739280461.db2.gz TVMDCLYQLDJMNU-ARFHVFGLSA-N 1 2 330.359 0.674 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)N3CCCCC3=O)[C@H]2C1 ZINC001083283157 739712158 /nfs/dbraw/zinc/71/21/58/739712158.db2.gz MEERRSPQRQDJRO-HRCADAONSA-N 1 2 333.432 0.322 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)N3CCCCC3=O)[C@H]2C1 ZINC001083283157 739712161 /nfs/dbraw/zinc/71/21/61/739712161.db2.gz MEERRSPQRQDJRO-HRCADAONSA-N 1 2 333.432 0.322 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H](C)C2CN(C(=O)Cc3c[nH+]c[nH]3)C2)nc1 ZINC001006526770 751481908 /nfs/dbraw/zinc/48/19/08/751481908.db2.gz ACATVARBRSFBPB-GFCCVEGCSA-N 1 2 337.383 0.605 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3nncn3C)C[C@H]21 ZINC001026101768 740376833 /nfs/dbraw/zinc/37/68/33/740376833.db2.gz GFRKPVMJKNWNKF-AYYATWNNSA-N 1 2 345.447 0.904 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3nncn3C)C[C@H]21 ZINC001026101768 740376837 /nfs/dbraw/zinc/37/68/37/740376837.db2.gz GFRKPVMJKNWNKF-AYYATWNNSA-N 1 2 345.447 0.904 20 30 ECEDLO C[C@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001104851255 740714792 /nfs/dbraw/zinc/71/47/92/740714792.db2.gz PHLHIFPRHUUWGE-NWDGAFQWSA-N 1 2 327.392 0.631 20 30 ECEDLO C[C@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001104851255 740714795 /nfs/dbraw/zinc/71/47/95/740714795.db2.gz PHLHIFPRHUUWGE-NWDGAFQWSA-N 1 2 327.392 0.631 20 30 ECEDLO CN(C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)c1cnc(C#N)cn1 ZINC001058705526 740970870 /nfs/dbraw/zinc/97/08/70/740970870.db2.gz CXHHSFMSXZVGSS-ZDUSSCGKSA-N 1 2 339.403 0.989 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)C=C3CCC3)C2)nn1 ZINC001105209514 741472067 /nfs/dbraw/zinc/47/20/67/741472067.db2.gz HYZQOFDCTDDZDP-UHFFFAOYSA-N 1 2 329.404 0.511 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC3(C)C)C2)nn1 ZINC001105213867 741477408 /nfs/dbraw/zinc/47/74/08/741477408.db2.gz RDFUFFOXEAOQIB-AWEZNQCLSA-N 1 2 346.435 0.099 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC(n2cc(C[NH2+]C[C@H](F)CC)nn2)C1 ZINC001105227583 741509115 /nfs/dbraw/zinc/50/91/15/741509115.db2.gz PUEKLWMTYGUBJN-MLGOLLRUSA-N 1 2 339.415 0.826 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn4c3CCC4)C2)nn1 ZINC001105254336 741568490 /nfs/dbraw/zinc/56/84/90/741568490.db2.gz VHUCITRCLMTYRL-UHFFFAOYSA-N 1 2 339.403 0.231 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)[nH]nc3Cl)C2)nn1 ZINC001105256421 741576599 /nfs/dbraw/zinc/57/65/99/741576599.db2.gz CSJDTDVFMJJRHJ-UHFFFAOYSA-N 1 2 333.783 0.383 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3cnccc3C)C2)nn1 ZINC001105262353 741593742 /nfs/dbraw/zinc/59/37/42/741593742.db2.gz XHIOGYZBFWPLRD-UHFFFAOYSA-N 1 2 338.415 0.720 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3cncs3)C2)nn1 ZINC001105264369 741595138 /nfs/dbraw/zinc/59/51/38/741595138.db2.gz GUDOBOPWTLPSMG-UHFFFAOYSA-N 1 2 330.417 0.474 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](OC)[C@H](C)CC)C2)nn1 ZINC001105275438 741622130 /nfs/dbraw/zinc/62/21/30/741622130.db2.gz QEKUDOVKUWIYNR-CZUORRHYSA-N 1 2 333.436 0.835 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(OC)ccn3)C2)nn1 ZINC001105295042 741667403 /nfs/dbraw/zinc/66/74/03/741667403.db2.gz VULVYIBZZGAREI-UHFFFAOYSA-N 1 2 326.360 0.102 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(n2cc(C[NH2+]CC(=O)NC(C)C)nn2)C1 ZINC001105297066 741674154 /nfs/dbraw/zinc/67/41/54/741674154.db2.gz GRCZBKPEHFFAOO-UHFFFAOYSA-N 1 2 348.451 0.488 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC(n2cc(C[NH2+][C@@H](CC)C(N)=O)nn2)C1 ZINC001105299362 741682015 /nfs/dbraw/zinc/68/20/15/741682015.db2.gz UANWKAJYRMYHOP-AWEZNQCLSA-N 1 2 348.451 0.617 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(=O)NC)nn2)C1 ZINC001105299411 741682220 /nfs/dbraw/zinc/68/22/20/741682220.db2.gz WVMAQEZPTMHAAY-LBPRGKRZSA-N 1 2 348.451 0.488 20 30 ECEDLO C=CCCC1(C(=O)N(CCO)CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001058728113 741686201 /nfs/dbraw/zinc/68/62/01/741686201.db2.gz KMUFXZOFVHUKMM-UHFFFAOYSA-N 1 2 334.420 0.567 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001058728112 741686498 /nfs/dbraw/zinc/68/64/98/741686498.db2.gz KLLFTWLYFUAOIH-QGZVFWFLSA-N 1 2 336.436 0.800 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[C@@H](OC)C3)C2)nn1 ZINC001105314225 741734703 /nfs/dbraw/zinc/73/47/03/741734703.db2.gz OGCCEJDEVHJCCI-XJKSGUPXSA-N 1 2 331.420 0.589 20 30 ECEDLO C=CCCCC(=O)N1CC(n2cc(C[NH2+]CC(=O)NCC=C)nn2)C1 ZINC001105315470 741748909 /nfs/dbraw/zinc/74/89/09/741748909.db2.gz PKVNNYVZBWVBSQ-UHFFFAOYSA-N 1 2 346.435 0.410 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(=O)NC)nn2)C1 ZINC001105318590 741763117 /nfs/dbraw/zinc/76/31/17/741763117.db2.gz GSTYXAPNVBJHSJ-SJCJKPOMSA-N 1 2 348.451 0.488 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CC(n2cc(C[NH2+][C@H](CC)C(N)=O)nn2)C1 ZINC001105318769 741764658 /nfs/dbraw/zinc/76/46/58/741764658.db2.gz OIOJHWSHWGZYOH-PBHICJAKSA-N 1 2 348.451 0.617 20 30 ECEDLO CC[C@H](C)C(=O)N1CC[C@H](n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001098622122 741767484 /nfs/dbraw/zinc/76/74/84/741767484.db2.gz AVSBTRBOPUVBDX-HOCLYGCPSA-N 1 2 333.436 0.837 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCc4nc[nH]c43)C2)nn1 ZINC001105325054 741798957 /nfs/dbraw/zinc/79/89/57/741798957.db2.gz CSJLJNSASMQMCG-AWEZNQCLSA-N 1 2 339.403 0.227 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccc4c3OCC4)C2)nn1 ZINC001105332857 741989478 /nfs/dbraw/zinc/98/94/78/741989478.db2.gz BWEXEASAARETSY-UHFFFAOYSA-N 1 2 337.383 0.633 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2cnon2)CC1(C)C ZINC000974687132 742003214 /nfs/dbraw/zinc/00/32/14/742003214.db2.gz QYIXSZLEVPEHNC-GJZGRUSLSA-N 1 2 331.420 0.494 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2cnon2)CC1(C)C ZINC000974687132 742003217 /nfs/dbraw/zinc/00/32/17/742003217.db2.gz QYIXSZLEVPEHNC-GJZGRUSLSA-N 1 2 331.420 0.494 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(C)no2)CC1(C)C ZINC000974687173 742003379 /nfs/dbraw/zinc/00/33/79/742003379.db2.gz RLNLDLRNKRPTOG-LSDHHAIUSA-N 1 2 345.447 0.802 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(C)no2)CC1(C)C ZINC000974687173 742003384 /nfs/dbraw/zinc/00/33/84/742003384.db2.gz RLNLDLRNKRPTOG-LSDHHAIUSA-N 1 2 345.447 0.802 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC000974979486 742407068 /nfs/dbraw/zinc/40/70/68/742407068.db2.gz UFUFFACHLABWIQ-JHJVBQTASA-N 1 2 329.404 0.906 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC000974979487 742407183 /nfs/dbraw/zinc/40/71/83/742407183.db2.gz UFUFFACHLABWIQ-YNEHKIRRSA-N 1 2 329.404 0.906 20 30 ECEDLO N#Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2c[nH]c[nH+]2)C3)c[nH]1 ZINC001006720833 751726116 /nfs/dbraw/zinc/72/61/16/751726116.db2.gz PSADHWZNTQCMES-KFWWJZLASA-N 1 2 338.371 0.714 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000988272034 751756666 /nfs/dbraw/zinc/75/66/66/751756666.db2.gz UWRVZZVNBSJSFG-KFWWJZLASA-N 1 2 346.431 0.850 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]([C@@H](C)c3nnnn3C)C2)cn1 ZINC001028941622 742937026 /nfs/dbraw/zinc/93/70/26/742937026.db2.gz ZOPUDUDMDXVRJB-QWHCGFSZSA-N 1 2 339.403 0.399 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@@H](C)c3nnnn3C)C2)cn1 ZINC001028941622 742937029 /nfs/dbraw/zinc/93/70/29/742937029.db2.gz ZOPUDUDMDXVRJB-QWHCGFSZSA-N 1 2 339.403 0.399 20 30 ECEDLO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CC[NH+](Cc2nnnn2C)CC1 ZINC000997019416 743138960 /nfs/dbraw/zinc/13/89/60/743138960.db2.gz OLCNIKPOZOMOJP-LLVKDONJSA-N 1 2 342.407 0.440 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)c[nH]1 ZINC000983568811 743464167 /nfs/dbraw/zinc/46/41/67/743464167.db2.gz RWTWBFBOGVMQTL-ZIAGYGMSSA-N 1 2 340.387 0.940 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000998060244 743954462 /nfs/dbraw/zinc/95/44/62/743954462.db2.gz XQTXDRXNPPICIH-HUUCEWRRSA-N 1 2 326.462 0.757 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000998060244 743954465 /nfs/dbraw/zinc/95/44/65/743954465.db2.gz XQTXDRXNPPICIH-HUUCEWRRSA-N 1 2 326.462 0.757 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3cn(C)nc3C)C2)nn1 ZINC001105339296 744340235 /nfs/dbraw/zinc/34/02/35/744340235.db2.gz NVMBQBJHDDNHDA-UHFFFAOYSA-N 1 2 341.419 0.059 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc2[nH+]ccn21 ZINC000976831302 744369646 /nfs/dbraw/zinc/36/96/46/744369646.db2.gz RRNNOBAPFXKOEQ-UOIKSKOESA-N 1 2 334.379 0.934 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)nc1 ZINC000976915865 744475181 /nfs/dbraw/zinc/47/51/81/744475181.db2.gz JSWWUDZPTJGXIU-HALDLXJZSA-N 1 2 335.367 0.146 20 30 ECEDLO C#Cc1cncc(C(=O)NC2CN(C(=O)CCc3[nH+]ccn3C)C2)c1 ZINC000999309654 744616641 /nfs/dbraw/zinc/61/66/41/744616641.db2.gz JWWZIBBPWNKTND-UHFFFAOYSA-N 1 2 337.383 0.370 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCCN(C(=O)c3[nH]nnc3C)C2)C1=O ZINC001027517883 744937657 /nfs/dbraw/zinc/93/76/57/744937657.db2.gz KPKMFQGRPJIQAV-KGLIPLIRSA-N 1 2 346.435 0.436 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)c3[nH]nnc3C)C2)C1=O ZINC001027517883 744937660 /nfs/dbraw/zinc/93/76/60/744937660.db2.gz KPKMFQGRPJIQAV-KGLIPLIRSA-N 1 2 346.435 0.436 20 30 ECEDLO CN(C[C@@H]1CCN1C(=O)Cc1c[nH+]c[nH]1)C(=O)c1cc(C#N)c[nH]1 ZINC000977528538 745149095 /nfs/dbraw/zinc/14/90/95/745149095.db2.gz LGDIAMKDAQGHMZ-ZDUSSCGKSA-N 1 2 326.360 0.525 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CCCCO3)[C@@H](O)C2)s1 ZINC001083410739 745264578 /nfs/dbraw/zinc/26/45/78/745264578.db2.gz SFFSRKIRRVFZBQ-QLFBSQMISA-N 1 2 335.429 0.850 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CCCCO3)[C@@H](O)C2)s1 ZINC001083410739 745264583 /nfs/dbraw/zinc/26/45/83/745264583.db2.gz SFFSRKIRRVFZBQ-QLFBSQMISA-N 1 2 335.429 0.850 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(NC(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001000264989 745396129 /nfs/dbraw/zinc/39/61/29/745396129.db2.gz GAFSIRZPDZOWFU-CYBMUJFWSA-N 1 2 334.420 0.118 20 30 ECEDLO N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N2CCCC2)[nH]1 ZINC001029273669 745497246 /nfs/dbraw/zinc/49/72/46/745497246.db2.gz BWWIJRSHFJTPFH-GASCZTMLSA-N 1 2 341.415 0.798 20 30 ECEDLO N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N2CCCC2)[nH]1 ZINC001029273669 745497253 /nfs/dbraw/zinc/49/72/53/745497253.db2.gz BWWIJRSHFJTPFH-GASCZTMLSA-N 1 2 341.415 0.798 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c[nH+]c[nH]1 ZINC001000562565 745598050 /nfs/dbraw/zinc/59/80/50/745598050.db2.gz CZJOZHKFRWVUCS-OWYFMNJBSA-N 1 2 344.415 0.791 20 30 ECEDLO C[C@H](c1nnnn1C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC000977982320 745745015 /nfs/dbraw/zinc/74/50/15/745745015.db2.gz WIZKBKFAOCOYJW-JHEVNIALSA-N 1 2 340.391 0.079 20 30 ECEDLO C[C@H](c1nnnn1C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC000977982320 745745022 /nfs/dbraw/zinc/74/50/22/745745022.db2.gz WIZKBKFAOCOYJW-JHEVNIALSA-N 1 2 340.391 0.079 20 30 ECEDLO COCCN(CCNC(=O)Cc1c[nH]c[nH+]1)c1ccc(C#N)c(C)n1 ZINC001126524769 745747606 /nfs/dbraw/zinc/74/76/06/745747606.db2.gz YWXFKCSLGWSMGF-UHFFFAOYSA-N 1 2 342.403 0.797 20 30 ECEDLO Cn1ncnc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC000977967576 745752980 /nfs/dbraw/zinc/75/29/80/745752980.db2.gz RADMHBRCGDVCRE-XYYAHUGASA-N 1 2 325.376 0.123 20 30 ECEDLO Cn1ncnc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC000977967576 745752986 /nfs/dbraw/zinc/75/29/86/745752986.db2.gz RADMHBRCGDVCRE-XYYAHUGASA-N 1 2 325.376 0.123 20 30 ECEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3C#N)C2)C1 ZINC001007000524 752037789 /nfs/dbraw/zinc/03/77/89/752037789.db2.gz JIHCFDBDKHYTKT-QZTJIDSGSA-N 1 2 342.443 0.969 20 30 ECEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3C#N)C2)C1 ZINC001007000524 752037798 /nfs/dbraw/zinc/03/77/98/752037798.db2.gz JIHCFDBDKHYTKT-QZTJIDSGSA-N 1 2 342.443 0.969 20 30 ECEDLO N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@H]3CCc4[nH+]ccn4C3)C2)cn1 ZINC001059335900 745991969 /nfs/dbraw/zinc/99/19/69/745991969.db2.gz FKEZZKVIBWZTPD-AVGNSLFASA-N 1 2 337.387 0.866 20 30 ECEDLO C=C(Cl)CNCc1cn(C2CN(C(=O)Cc3c[nH+]cn3C)C2)nn1 ZINC001105360986 752059047 /nfs/dbraw/zinc/05/90/47/752059047.db2.gz MFZVAROZPZAZPW-UHFFFAOYSA-N 1 2 349.826 0.480 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCSCC)[C@H](OC)C1 ZINC001211941900 752064056 /nfs/dbraw/zinc/06/40/56/752064056.db2.gz BRCCLAYZRIDDEO-MGPQQGTHSA-N 1 2 343.493 0.636 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCSCC)[C@H](OC)C1 ZINC001211941900 752064060 /nfs/dbraw/zinc/06/40/60/752064060.db2.gz BRCCLAYZRIDDEO-MGPQQGTHSA-N 1 2 343.493 0.636 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3nonc3C)C2)nn1 ZINC001027606814 746159124 /nfs/dbraw/zinc/15/91/24/746159124.db2.gz NGMSTIFZFNNWRH-CYBMUJFWSA-N 1 2 345.407 0.892 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3nonc3C)C2)nn1 ZINC001027606814 746159128 /nfs/dbraw/zinc/15/91/28/746159128.db2.gz NGMSTIFZFNNWRH-CYBMUJFWSA-N 1 2 345.407 0.892 20 30 ECEDLO CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)[C@H]1CC ZINC001087747723 746278296 /nfs/dbraw/zinc/27/82/96/746278296.db2.gz RQNYXHIHOWNBNF-QLFBSQMISA-N 1 2 326.462 0.804 20 30 ECEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)[C@H]1CC ZINC001087747723 746278301 /nfs/dbraw/zinc/27/83/01/746278301.db2.gz RQNYXHIHOWNBNF-QLFBSQMISA-N 1 2 326.462 0.804 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001001476665 746417146 /nfs/dbraw/zinc/41/71/46/746417146.db2.gz ADSCJEHBHFXJBJ-UHFFFAOYSA-N 1 2 326.360 0.349 20 30 ECEDLO C=CCn1cccc1C(=O)NCC1CC[NH+](Cc2nnnn2C)CC1 ZINC001001482062 746421580 /nfs/dbraw/zinc/42/15/80/746421580.db2.gz UQJGDWOQAGNMEW-UHFFFAOYSA-N 1 2 343.435 0.840 20 30 ECEDLO Cc1cnc([C@H](C)[N@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)cn1 ZINC001083418071 746439783 /nfs/dbraw/zinc/43/97/83/746439783.db2.gz QCWXMLNQSPLHOD-XZJROXQQSA-N 1 2 340.387 0.521 20 30 ECEDLO Cc1cnc([C@H](C)[N@@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)cn1 ZINC001083418071 746439787 /nfs/dbraw/zinc/43/97/87/746439787.db2.gz QCWXMLNQSPLHOD-XZJROXQQSA-N 1 2 340.387 0.521 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000978700173 746616065 /nfs/dbraw/zinc/61/60/65/746616065.db2.gz YFDLUJZEFVMUQY-BJHJDKERSA-N 1 2 340.387 0.785 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000984569471 746636077 /nfs/dbraw/zinc/63/60/77/746636077.db2.gz VKBLXJCNHFAVMV-CYBMUJFWSA-N 1 2 340.387 0.915 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[N@@H+](Cc4cnon4)CC[C@@H]3C2)c1 ZINC001087925438 746670321 /nfs/dbraw/zinc/67/03/21/746670321.db2.gz MWJRMEPTYFNXJA-OLZOCXBDSA-N 1 2 326.360 0.863 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[N@H+](Cc4cnon4)CC[C@@H]3C2)c1 ZINC001087925438 746670323 /nfs/dbraw/zinc/67/03/23/746670323.db2.gz MWJRMEPTYFNXJA-OLZOCXBDSA-N 1 2 326.360 0.863 20 30 ECEDLO Cn1ncnc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1 ZINC001087925400 746670715 /nfs/dbraw/zinc/67/07/15/746670715.db2.gz KZMRIAOETMAUSY-KGLIPLIRSA-N 1 2 339.403 0.609 20 30 ECEDLO Cn1ncnc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1 ZINC001087925400 746670717 /nfs/dbraw/zinc/67/07/17/746670717.db2.gz KZMRIAOETMAUSY-KGLIPLIRSA-N 1 2 339.403 0.609 20 30 ECEDLO C=CCCCC(=O)N1CC[C@H](n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001098711464 746763831 /nfs/dbraw/zinc/76/38/31/746763831.db2.gz VFNSNMKKIRHOAO-JSGCOSHPSA-N 1 2 334.424 0.371 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cn3cc(C)cn3)C2)nn1 ZINC001098628337 746945842 /nfs/dbraw/zinc/94/58/42/746945842.db2.gz APNPHDGVAZSHEW-INIZCTEOSA-N 1 2 341.419 0.370 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001002196935 747072699 /nfs/dbraw/zinc/07/26/99/747072699.db2.gz YPUCIPQWVSAFAK-YOEHRIQHSA-N 1 2 346.431 0.898 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC ZINC001029508816 747202271 /nfs/dbraw/zinc/20/22/71/747202271.db2.gz QBCNEQCEFCEYPM-IVSAIRAKSA-N 1 2 335.448 0.779 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC ZINC001029508816 747202273 /nfs/dbraw/zinc/20/22/73/747202273.db2.gz QBCNEQCEFCEYPM-IVSAIRAKSA-N 1 2 335.448 0.779 20 30 ECEDLO C[C@@H]([NH2+]Cc1csnn1)[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979285316 747534683 /nfs/dbraw/zinc/53/46/83/747534683.db2.gz BTGPAQSESIJRTP-YGRLFVJLSA-N 1 2 346.416 0.757 20 30 ECEDLO C[C@H]([NH2+]Cc1csnn1)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979300072 747542747 /nfs/dbraw/zinc/54/27/47/747542747.db2.gz ZOZJMANFIZDAPE-IINYFYTJSA-N 1 2 346.416 0.757 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001088590176 752212829 /nfs/dbraw/zinc/21/28/29/752212829.db2.gz NLSTVWFAFFLPND-WBMJQRKESA-N 1 2 347.440 0.682 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088590176 752212836 /nfs/dbraw/zinc/21/28/36/752212836.db2.gz NLSTVWFAFFLPND-WBMJQRKESA-N 1 2 347.440 0.682 20 30 ECEDLO C=CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001088240156 747943030 /nfs/dbraw/zinc/94/30/30/747943030.db2.gz QJCKZXYWARENNL-OAHLLOKOSA-N 1 2 333.436 0.863 20 30 ECEDLO C=CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)Cc3ncn[nH]3)CC2)C1 ZINC001088240156 747943032 /nfs/dbraw/zinc/94/30/32/747943032.db2.gz QJCKZXYWARENNL-OAHLLOKOSA-N 1 2 333.436 0.863 20 30 ECEDLO N#Cc1nccnc1N1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH]c[nH+]1 ZINC001058811538 748028548 /nfs/dbraw/zinc/02/85/48/748028548.db2.gz WXZBGGKSPHCABC-OKILXGFUSA-N 1 2 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ZINC001059603072 748758612 /nfs/dbraw/zinc/75/86/12/748758612.db2.gz ZNCJIAMPSSVNRR-PHIMTYICSA-N 1 2 336.359 0.936 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)Cc3cc[nH]n3)CC2)CC1 ZINC000985824691 749178376 /nfs/dbraw/zinc/17/83/76/749178376.db2.gz KACURAUYPAFYPJ-UHFFFAOYSA-N 1 2 346.435 0.020 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3CC3(F)F)CC2)CC1 ZINC000985827825 749188375 /nfs/dbraw/zinc/18/83/75/749188375.db2.gz CFAUTDLQDQDBIG-CYBMUJFWSA-N 1 2 342.390 0.709 20 30 ECEDLO O=C(C#CC1CC1)N1CC(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001004091048 749203706 /nfs/dbraw/zinc/20/37/06/749203706.db2.gz XOTCUZIDVVLXPH-UHFFFAOYSA-N 1 2 349.394 0.869 20 30 ECEDLO C=C(Cl)CNCc1cn([C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC001098740915 749567789 /nfs/dbraw/zinc/56/77/89/749567789.db2.gz VZERHDYFAFAODJ-AWEZNQCLSA-N 1 2 349.826 0.859 20 30 ECEDLO C[C@@H]1[C@@H]([NH2+]Cc2nc(N(C)C)no2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000986186677 749645242 /nfs/dbraw/zinc/64/52/42/749645242.db2.gz QSLQVJVLGOERJF-PWSUYJOCSA-N 1 2 343.391 0.728 20 30 ECEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001004576072 749649283 /nfs/dbraw/zinc/64/92/83/749649283.db2.gz MADHCFHKRPPPAB-AWEZNQCLSA-N 1 2 332.404 0.266 20 30 ECEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001004576072 749649286 /nfs/dbraw/zinc/64/92/86/749649286.db2.gz MADHCFHKRPPPAB-AWEZNQCLSA-N 1 2 332.404 0.266 20 30 ECEDLO COCCc1noc(C[NH2+][C@H]2CCN(C(=O)C#CC3CC3)[C@H]2C)n1 ZINC000986276327 749744853 /nfs/dbraw/zinc/74/48/53/749744853.db2.gz HSUBZMGVSCCWFP-JSGCOSHPSA-N 1 2 332.404 0.751 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2C1 ZINC000986593752 750164091 /nfs/dbraw/zinc/16/40/91/750164091.db2.gz KCGRWTGAOHLHKY-YUTCNCBUSA-N 1 2 329.404 0.727 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CCS(C)(=O)=O)cc1 ZINC001028066798 750465024 /nfs/dbraw/zinc/46/50/24/750465024.db2.gz JKRKJXUVDRTVQH-MRXNPFEDSA-N 1 2 334.441 0.907 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CCS(C)(=O)=O)cc1 ZINC001028066798 750465026 /nfs/dbraw/zinc/46/50/26/750465026.db2.gz JKRKJXUVDRTVQH-MRXNPFEDSA-N 1 2 334.441 0.907 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nnc(C)o3)[C@H]2C)nn1 ZINC000987137315 750532847 /nfs/dbraw/zinc/53/28/47/750532847.db2.gz XXOBRUHZBLECKR-PWSUYJOCSA-N 1 2 331.380 0.548 20 30 ECEDLO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001005929964 750813812 /nfs/dbraw/zinc/81/38/12/750813812.db2.gz XEDROKCKJYJXRK-JTQLQIEISA-N 1 2 326.360 0.429 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001028109321 750912040 /nfs/dbraw/zinc/91/20/40/750912040.db2.gz GTBASXYTIRAPFT-NXEZZACHSA-N 1 2 331.214 0.157 20 30 ECEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001028109321 750912046 /nfs/dbraw/zinc/91/20/46/750912046.db2.gz GTBASXYTIRAPFT-NXEZZACHSA-N 1 2 331.214 0.157 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001006181500 751094452 /nfs/dbraw/zinc/09/44/52/751094452.db2.gz UOPWPVMYIBEWIQ-IMJJTQAJSA-N 1 2 346.431 0.827 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H](C)n3cccn3)C2)nn1 ZINC001105358048 751114983 /nfs/dbraw/zinc/11/49/83/751114983.db2.gz QWJYDKGMZUQYOE-CQSZACIVSA-N 1 2 341.419 0.622 20 30 ECEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1OC ZINC001211992735 752307220 /nfs/dbraw/zinc/30/72/20/752307220.db2.gz VMWVCNRVIMFBGF-FVQBIDKESA-N 1 2 336.436 0.717 20 30 ECEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1OC ZINC001211992735 752307225 /nfs/dbraw/zinc/30/72/25/752307225.db2.gz VMWVCNRVIMFBGF-FVQBIDKESA-N 1 2 336.436 0.717 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)CCOC)[C@H](OC)C1 ZINC001211746387 752380285 /nfs/dbraw/zinc/38/02/85/752380285.db2.gz ZDHZFKYEZWDMHF-HUUCEWRRSA-N 1 2 339.436 0.039 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)CCOC)[C@H](OC)C1 ZINC001211746387 752380292 /nfs/dbraw/zinc/38/02/92/752380292.db2.gz ZDHZFKYEZWDMHF-HUUCEWRRSA-N 1 2 339.436 0.039 20 30 ECEDLO CO[C@@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212041546 752434423 /nfs/dbraw/zinc/43/44/23/752434423.db2.gz TZBORCOVWZWDPG-LERXQTSPSA-N 1 2 345.403 0.535 20 30 ECEDLO CO[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212041546 752434429 /nfs/dbraw/zinc/43/44/29/752434429.db2.gz TZBORCOVWZWDPG-LERXQTSPSA-N 1 2 345.403 0.535 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)/C=C\C(C)(C)C)[C@H](OC)C1 ZINC001212051099 752443867 /nfs/dbraw/zinc/44/38/67/752443867.db2.gz RSTLWBKIMAQIGJ-RKNRVPRMSA-N 1 2 335.448 0.542 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)/C=C\C(C)(C)C)[C@H](OC)C1 ZINC001212051099 752443870 /nfs/dbraw/zinc/44/38/70/752443870.db2.gz RSTLWBKIMAQIGJ-RKNRVPRMSA-N 1 2 335.448 0.542 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cncnc3C3CC3)C2)nn1 ZINC001105367815 752464929 /nfs/dbraw/zinc/46/49/29/752464929.db2.gz BJWSXBHOYAFCKJ-UHFFFAOYSA-N 1 2 337.387 0.365 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](OC)C3CCCC3)C2)nn1 ZINC001105367791 752465274 /nfs/dbraw/zinc/46/52/74/752465274.db2.gz AQSLCTARRBWNJV-INIZCTEOSA-N 1 2 331.420 0.589 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@@H]2C)c1 ZINC001014045006 762134318 /nfs/dbraw/zinc/13/43/18/762134318.db2.gz TUYBOJPFMYPELR-LRDDRELGSA-N 1 2 337.383 0.748 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ncccc2C)[C@H](OC)C1 ZINC001212086532 752718062 /nfs/dbraw/zinc/71/80/62/752718062.db2.gz AVINVVMVJCLQJQ-RRFJBIMHSA-N 1 2 346.431 0.510 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ncccc2C)[C@H](OC)C1 ZINC001212086532 752718065 /nfs/dbraw/zinc/71/80/65/752718065.db2.gz AVINVVMVJCLQJQ-RRFJBIMHSA-N 1 2 346.431 0.510 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3cc[nH]n3)C2)nn1 ZINC001098645485 752730326 /nfs/dbraw/zinc/73/03/26/752730326.db2.gz NERADQIWLQVKPY-OAHLLOKOSA-N 1 2 327.392 0.130 20 30 ECEDLO N#Cc1ccc(N[C@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)nn1 ZINC001058995333 752805458 /nfs/dbraw/zinc/80/54/58/752805458.db2.gz ASPUSRAQQODLIF-OCCSQVGLSA-N 1 2 337.387 0.820 20 30 ECEDLO N#Cc1cnc(N[C@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)cn1 ZINC001058995763 752812230 /nfs/dbraw/zinc/81/22/30/752812230.db2.gz WSXHNWXRSVOBHW-OLZOCXBDSA-N 1 2 337.387 0.820 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccncc3F)C2)nn1 ZINC001098645852 752822031 /nfs/dbraw/zinc/82/20/31/752822031.db2.gz XEMZSHGJFQWRGX-CYBMUJFWSA-N 1 2 328.351 0.622 20 30 ECEDLO CN(C)c1noc(C[N@@H+]2CC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001028491249 752833526 /nfs/dbraw/zinc/83/35/26/752833526.db2.gz UVWYWEHQLWGENC-NSHDSACASA-N 1 2 343.391 0.587 20 30 ECEDLO CN(C)c1noc(C[N@H+]2CC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001028491249 752833530 /nfs/dbraw/zinc/83/35/30/752833530.db2.gz UVWYWEHQLWGENC-NSHDSACASA-N 1 2 343.391 0.587 20 30 ECEDLO CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001008020330 753204328 /nfs/dbraw/zinc/20/43/28/753204328.db2.gz GNIHNIZQEWEEJY-CQSZACIVSA-N 1 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C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3nc(CC)c[nH]3)C2)nn1 ZINC001098682664 753682171 /nfs/dbraw/zinc/68/21/71/753682171.db2.gz CERFBOWVDQMWOC-OAHLLOKOSA-N 1 2 341.419 0.303 20 30 ECEDLO Cc1cc(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)no1 ZINC001083371359 753710857 /nfs/dbraw/zinc/71/08/57/753710857.db2.gz NSVDKPSFIALHQL-CABCVRRESA-N 1 2 346.412 0.820 20 30 ECEDLO Cc1cc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)no1 ZINC001083371359 753710861 /nfs/dbraw/zinc/71/08/61/753710861.db2.gz NSVDKPSFIALHQL-CABCVRRESA-N 1 2 346.412 0.820 20 30 ECEDLO CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001105489536 753732154 /nfs/dbraw/zinc/73/21/54/753732154.db2.gz CWWUGWVRVWQWSP-CYBMUJFWSA-N 1 2 339.403 0.702 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3n[nH]cc3F)C2)C1=O ZINC001008446239 753750927 /nfs/dbraw/zinc/75/09/27/753750927.db2.gz CJVVYIOXQBKUEL-WCQYABFASA-N 1 2 335.383 0.530 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3n[nH]cc3F)C2)C1=O ZINC001008446239 753750931 /nfs/dbraw/zinc/75/09/31/753750931.db2.gz CJVVYIOXQBKUEL-WCQYABFASA-N 1 2 335.383 0.530 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)c1cc[nH]c(=O)c1 ZINC001083396850 753813115 /nfs/dbraw/zinc/81/31/15/753813115.db2.gz IGRMDCBYABKZPP-SJORKVTESA-N 1 2 337.379 0.614 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)c1cc[nH]c(=O)c1 ZINC001083396850 753813119 /nfs/dbraw/zinc/81/31/19/753813119.db2.gz IGRMDCBYABKZPP-SJORKVTESA-N 1 2 337.379 0.614 20 30 ECEDLO CC1(C)CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001008507819 753831441 /nfs/dbraw/zinc/83/14/41/753831441.db2.gz RTVBMUOXRAMSDW-ZDUSSCGKSA-N 1 2 340.387 0.819 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCN(C)c1[nH+]cnc2c1cnn2C ZINC001105569759 753841725 /nfs/dbraw/zinc/84/17/25/753841725.db2.gz SFFSAHYWKFSLEG-OCCSQVGLSA-N 1 2 344.419 0.849 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC001008621049 753965277 /nfs/dbraw/zinc/96/52/77/753965277.db2.gz RROXDYRLHZMYDZ-QLFBSQMISA-N 1 2 346.431 0.897 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+]([C@H]3CCC(=O)NC3=O)CC2)cn1 ZINC000989511048 754060931 /nfs/dbraw/zinc/06/09/31/754060931.db2.gz JXSXUSMNURXJKM-HNNXBMFYSA-N 1 2 340.383 0.016 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@H+]([C@H]3CCC(=O)NC3=O)CC2)cn1 ZINC000989511048 754060938 /nfs/dbraw/zinc/06/09/38/754060938.db2.gz JXSXUSMNURXJKM-HNNXBMFYSA-N 1 2 340.383 0.016 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Cn2nc(C)n(C)c2=O)CC1 ZINC000989584502 754147086 /nfs/dbraw/zinc/14/70/86/754147086.db2.gz APYHCSCLUNDFQS-UHFFFAOYSA-N 1 2 327.816 0.177 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Cn2nc(C)n(C)c2=O)CC1 ZINC000989584502 754147089 /nfs/dbraw/zinc/14/70/89/754147089.db2.gz APYHCSCLUNDFQS-UHFFFAOYSA-N 1 2 327.816 0.177 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CCC[N@@H+]([C@H](CC)C(N)=O)C2)nn1 ZINC001008826886 754165987 /nfs/dbraw/zinc/16/59/87/754165987.db2.gz VQYOEWMORMAGJO-GXTWGEPZSA-N 1 2 334.424 0.312 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@H](CC)C(N)=O)C2)nn1 ZINC001008826886 754165991 /nfs/dbraw/zinc/16/59/91/754165991.db2.gz VQYOEWMORMAGJO-GXTWGEPZSA-N 1 2 334.424 0.312 20 30 ECEDLO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001008893659 754272883 /nfs/dbraw/zinc/27/28/83/754272883.db2.gz UMXPXLSYAOFQRP-CYBMUJFWSA-N 1 2 344.419 0.618 20 30 ECEDLO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001008893659 754272888 /nfs/dbraw/zinc/27/28/88/754272888.db2.gz UMXPXLSYAOFQRP-CYBMUJFWSA-N 1 2 344.419 0.618 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3ccn(C)n3)CC2)C1=O ZINC000989665217 754278554 /nfs/dbraw/zinc/27/85/54/754278554.db2.gz AGPHUNDPBJSFNC-HNNXBMFYSA-N 1 2 331.420 0.355 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3ccn(C)n3)CC2)C1=O ZINC000989665217 754278557 /nfs/dbraw/zinc/27/85/57/754278557.db2.gz AGPHUNDPBJSFNC-HNNXBMFYSA-N 1 2 331.420 0.355 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)c[nH]1 ZINC001008970993 754373794 /nfs/dbraw/zinc/37/37/94/754373794.db2.gz CFBFYWLSLJWYTR-QKDCVEJESA-N 1 2 338.371 0.286 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001060002535 754576678 /nfs/dbraw/zinc/57/66/78/754576678.db2.gz WUBGFRZYHCAEIK-CRAIPNDOSA-N 1 2 348.447 0.955 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NC3CC3)C2)nc1 ZINC001009256271 754714245 /nfs/dbraw/zinc/71/42/45/754714245.db2.gz YKLBTWGJVJLNJJ-OAHLLOKOSA-N 1 2 326.400 0.536 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC3CC3)C2)nc1 ZINC001009256271 754714249 /nfs/dbraw/zinc/71/42/49/754714249.db2.gz YKLBTWGJVJLNJJ-OAHLLOKOSA-N 1 2 326.400 0.536 20 30 ECEDLO Cn1nncc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC001075700300 755069130 /nfs/dbraw/zinc/06/91/30/755069130.db2.gz KMMVGHNKZZAOHI-XHDPSFHLSA-N 1 2 325.376 0.361 20 30 ECEDLO Cn1nncc1C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC001075700300 755069131 /nfs/dbraw/zinc/06/91/31/755069131.db2.gz KMMVGHNKZZAOHI-XHDPSFHLSA-N 1 2 325.376 0.361 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@@H+]([C@H](C)c3nnnn3C)C2)c1 ZINC001028792921 755141681 /nfs/dbraw/zinc/14/16/81/755141681.db2.gz PDLATWYLEZGIBR-OCCSQVGLSA-N 1 2 339.403 0.399 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@H+]([C@H](C)c3nnnn3C)C2)c1 ZINC001028792921 755141686 /nfs/dbraw/zinc/14/16/86/755141686.db2.gz PDLATWYLEZGIBR-OCCSQVGLSA-N 1 2 339.403 0.399 20 30 ECEDLO C#CC[C@H](CO)NC(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000923916963 755200061 /nfs/dbraw/zinc/20/00/61/755200061.db2.gz FLOMFBLIYKPPAI-MSOLQXFVSA-N 1 2 345.443 0.879 20 30 ECEDLO C#CC[C@H](CO)NC(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000923916963 755200066 /nfs/dbraw/zinc/20/00/66/755200066.db2.gz FLOMFBLIYKPPAI-MSOLQXFVSA-N 1 2 345.443 0.879 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)C[C@H]3CCCO3)C2)nn1 ZINC001105379188 755266449 /nfs/dbraw/zinc/26/64/49/755266449.db2.gz RRMIVSQXWAGABH-WMLDXEAASA-N 1 2 345.447 0.980 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3ncccn3)C2)nn1 ZINC001028851123 755307755 /nfs/dbraw/zinc/30/77/55/755307755.db2.gz GLGBFGVOXQPFFY-CYBMUJFWSA-N 1 2 327.392 0.506 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3ncccn3)C2)nn1 ZINC001028851123 755307763 /nfs/dbraw/zinc/30/77/63/755307763.db2.gz GLGBFGVOXQPFFY-CYBMUJFWSA-N 1 2 327.392 0.506 20 30 ECEDLO Cc1cc(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)[nH]n1 ZINC001083400839 755329385 /nfs/dbraw/zinc/32/93/85/755329385.db2.gz IFXYLQXGVYLSOE-CABCVRRESA-N 1 2 345.428 0.555 20 30 ECEDLO Cc1cc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)[nH]n1 ZINC001083400839 755329391 /nfs/dbraw/zinc/32/93/91/755329391.db2.gz IFXYLQXGVYLSOE-CABCVRRESA-N 1 2 345.428 0.555 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2nncn2C)C1 ZINC001028862903 755334590 /nfs/dbraw/zinc/33/45/90/755334590.db2.gz ZFXAWJOEYZNTNX-YCPHGPKFSA-N 1 2 333.436 0.734 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2nncn2C)C1 ZINC001028862903 755334593 /nfs/dbraw/zinc/33/45/93/755334593.db2.gz ZFXAWJOEYZNTNX-YCPHGPKFSA-N 1 2 333.436 0.734 20 30 ECEDLO CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3ncn[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105668364 755642498 /nfs/dbraw/zinc/64/24/98/755642498.db2.gz WMJBTAPIWPPQHH-DTTOXWODSA-N 1 2 345.447 0.337 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C(F)(F)F)n(C)n2)[C@@H](O)C1 ZINC001083490041 755678256 /nfs/dbraw/zinc/67/82/56/755678256.db2.gz LRYRADRWTIQASI-MNOVXSKESA-N 1 2 330.310 0.237 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(F)(F)F)n(C)n2)[C@@H](O)C1 ZINC001083490041 755678258 /nfs/dbraw/zinc/67/82/58/755678258.db2.gz LRYRADRWTIQASI-MNOVXSKESA-N 1 2 330.310 0.237 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC000991642365 762411735 /nfs/dbraw/zinc/41/17/35/762411735.db2.gz GFGRCBPERRDUTH-JSGCOSHPSA-N 1 2 334.420 0.551 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](C)n3cccc3)C2)nn1 ZINC001098656682 755691549 /nfs/dbraw/zinc/69/15/49/755691549.db2.gz QWPCMMRATWTAGK-GDBMZVCRSA-N 1 2 326.404 0.837 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCNC2=O)[C@H]1C ZINC001088793381 755707950 /nfs/dbraw/zinc/70/79/50/755707950.db2.gz FICRUHQPNKDLMW-MXWKQRLJSA-N 1 2 330.226 0.610 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCNC2=O)[C@H]1C ZINC001088793381 755707952 /nfs/dbraw/zinc/70/79/52/755707952.db2.gz FICRUHQPNKDLMW-MXWKQRLJSA-N 1 2 330.226 0.610 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3csnc3C)C2)nn1 ZINC001098660009 755876353 /nfs/dbraw/zinc/87/63/53/755876353.db2.gz VQIPUGKAZHYNEF-ZDUSSCGKSA-N 1 2 330.417 0.853 20 30 ECEDLO CCc1noc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC001051597954 762430836 /nfs/dbraw/zinc/43/08/36/762430836.db2.gz DLNAZYUCIBDROE-GXTWGEPZSA-N 1 2 332.404 0.923 20 30 ECEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3C#N)C2)C1 ZINC001010427613 756124323 /nfs/dbraw/zinc/12/43/23/756124323.db2.gz MDIJOJGTZXCZIR-SJORKVTESA-N 1 2 328.416 0.579 20 30 ECEDLO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3C#N)C2)C1 ZINC001010427613 756124327 /nfs/dbraw/zinc/12/43/27/756124327.db2.gz MDIJOJGTZXCZIR-SJORKVTESA-N 1 2 328.416 0.579 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCNC(=O)C3)C2)c1 ZINC001010544853 756225840 /nfs/dbraw/zinc/22/58/40/756225840.db2.gz MGWVHRRAMDJIHD-DZGCQCFKSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCNC(=O)C3)C2)c1 ZINC001010544853 756225843 /nfs/dbraw/zinc/22/58/43/756225843.db2.gz MGWVHRRAMDJIHD-DZGCQCFKSA-N 1 2 344.390 0.914 20 30 ECEDLO O=C(C#CC1CC1)N1CCO[C@@H](C[NH2+]Cc2nc(C3CC3)no2)C1 ZINC001051608711 762457615 /nfs/dbraw/zinc/45/76/15/762457615.db2.gz HOUKKONUPWNRQY-AWEZNQCLSA-N 1 2 330.388 0.677 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001010633554 756329473 /nfs/dbraw/zinc/32/94/73/756329473.db2.gz VHGWGLGZIFOSFS-ZDUSSCGKSA-N 1 2 329.404 0.953 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)CN3CN=NC3=O)C2)c1 ZINC001010695966 756409884 /nfs/dbraw/zinc/40/98/84/756409884.db2.gz FPFGPUIMAMHSEP-ZDUSSCGKSA-N 1 2 344.350 0.385 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)CN3CN=NC3=O)C2)c1 ZINC001010695966 756409887 /nfs/dbraw/zinc/40/98/87/756409887.db2.gz FPFGPUIMAMHSEP-ZDUSSCGKSA-N 1 2 344.350 0.385 20 30 ECEDLO Cn1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)c1N ZINC001010709902 756429369 /nfs/dbraw/zinc/42/93/69/756429369.db2.gz VVZLEVKMKOKURJ-JTQLQIEISA-N 1 2 330.417 0.940 20 30 ECEDLO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)c1N ZINC001010709902 756429372 /nfs/dbraw/zinc/42/93/72/756429372.db2.gz VVZLEVKMKOKURJ-JTQLQIEISA-N 1 2 330.417 0.940 20 30 ECEDLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001083547364 756460984 /nfs/dbraw/zinc/46/09/84/756460984.db2.gz IBFMAHZJEBPKDW-NEPJUHHUSA-N 1 2 347.400 0.332 20 30 ECEDLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001083547364 756460986 /nfs/dbraw/zinc/46/09/86/756460986.db2.gz IBFMAHZJEBPKDW-NEPJUHHUSA-N 1 2 347.400 0.332 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)c(F)c1 ZINC001010831789 756579121 /nfs/dbraw/zinc/57/91/21/756579121.db2.gz APZJXRWPIBZUEE-GXTWGEPZSA-N 1 2 332.335 0.496 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)c(F)c1 ZINC001010831789 756579123 /nfs/dbraw/zinc/57/91/23/756579123.db2.gz APZJXRWPIBZUEE-GXTWGEPZSA-N 1 2 332.335 0.496 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001010921315 756671867 /nfs/dbraw/zinc/67/18/67/756671867.db2.gz ZADOHDNJOSWCPG-UHFFFAOYSA-N 1 2 326.360 0.445 20 30 ECEDLO N#Cc1cc(C(=O)NC2CN(C(=O)c3cccc4[nH+]ccn43)C2)c[nH]1 ZINC000990930821 756891394 /nfs/dbraw/zinc/89/13/94/756891394.db2.gz GABRBJQVBVIWSJ-UHFFFAOYSA-N 1 2 334.339 0.788 20 30 ECEDLO C[C@H](c1nnnn1C)[N@H+]1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1 ZINC001048778500 756964918 /nfs/dbraw/zinc/96/49/18/756964918.db2.gz ACNVYEISUJQGII-RTXFEEFZSA-N 1 2 340.391 0.175 20 30 ECEDLO C[C@H](c1nnnn1C)[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1 ZINC001048778500 756964925 /nfs/dbraw/zinc/96/49/25/756964925.db2.gz ACNVYEISUJQGII-RTXFEEFZSA-N 1 2 340.391 0.175 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC/C=C\CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001107148623 757081962 /nfs/dbraw/zinc/08/19/62/757081962.db2.gz NOXAQFBPCLOSLN-PTZVLDCSSA-N 1 2 334.424 0.657 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)cc1C#N ZINC001076791840 757131736 /nfs/dbraw/zinc/13/17/36/757131736.db2.gz JNSVEYKGXUFFBK-NUEKZKHPSA-N 1 2 345.399 0.265 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)cc1C#N ZINC001076791840 757131741 /nfs/dbraw/zinc/13/17/41/757131741.db2.gz JNSVEYKGXUFFBK-NUEKZKHPSA-N 1 2 345.399 0.265 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[C@@](C)(O)C3CC3)nn2)C1 ZINC001107160812 757184859 /nfs/dbraw/zinc/18/48/59/757184859.db2.gz KVMSKYNHLCUVKS-QGZVFWFLSA-N 1 2 333.436 0.878 20 30 ECEDLO CC(C)C#CC(=O)NCc1cn(C2C[NH+](CCn3cccn3)C2)nn1 ZINC001107169819 757208208 /nfs/dbraw/zinc/20/82/08/757208208.db2.gz VHEGZSUBZPUWHA-UHFFFAOYSA-N 1 2 341.419 0.307 20 30 ECEDLO CC(C)C#CC(=O)NCc1cn(C2C[NH+](C[C@H]3CC[C@H](C)O3)C2)nn1 ZINC001107169758 757208294 /nfs/dbraw/zinc/20/82/94/757208294.db2.gz ROTZVPUVLRYQEU-WMLDXEAASA-N 1 2 345.447 0.978 20 30 ECEDLO C=CCC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1O ZINC001048862032 757211587 /nfs/dbraw/zinc/21/15/87/757211587.db2.gz VHKZQYCZEYXOLY-GJZGRUSLSA-N 1 2 348.447 0.975 20 30 ECEDLO C=CCC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1O ZINC001048862032 757211595 /nfs/dbraw/zinc/21/15/95/757211595.db2.gz VHKZQYCZEYXOLY-GJZGRUSLSA-N 1 2 348.447 0.975 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C[C@H]3CCOC[C@H]3OC)nn2)C1 ZINC001107178105 757330297 /nfs/dbraw/zinc/33/02/97/757330297.db2.gz HMOQTDGLNYLXNU-CZUORRHYSA-N 1 2 349.435 0.379 20 30 ECEDLO C=C(C)CC[NH+]1CC(n2cc(CNC(=O)Cn3cncc3C)nn2)C1 ZINC001107185499 757360096 /nfs/dbraw/zinc/36/00/96/757360096.db2.gz UZZPWCYTGBHELZ-UHFFFAOYSA-N 1 2 343.435 0.922 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)Cc3ccc(F)cn3)nn2)C1 ZINC001107183432 757391276 /nfs/dbraw/zinc/39/12/76/757391276.db2.gz NSBODDZVFYZIGB-UHFFFAOYSA-N 1 2 330.367 0.714 20 30 ECEDLO C=CCn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cnon2)nn1 ZINC001021404206 757398301 /nfs/dbraw/zinc/39/83/01/757398301.db2.gz XTLUZILGXZUUDW-QXMXGUDHSA-N 1 2 343.391 0.773 20 30 ECEDLO C=CCn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cnon2)nn1 ZINC001021404206 757398306 /nfs/dbraw/zinc/39/83/06/757398306.db2.gz XTLUZILGXZUUDW-QXMXGUDHSA-N 1 2 343.391 0.773 20 30 ECEDLO C[C@@H](c1cnccn1)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001076856071 757399369 /nfs/dbraw/zinc/39/93/69/757399369.db2.gz ZZJOYHQRIPVJQU-COLVAYQJSA-N 1 2 326.360 0.212 20 30 ECEDLO C[C@@H](c1cnccn1)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001076856071 757399380 /nfs/dbraw/zinc/39/93/80/757399380.db2.gz ZZJOYHQRIPVJQU-COLVAYQJSA-N 1 2 326.360 0.212 20 30 ECEDLO Cn1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)c1 ZINC001076880254 757438810 /nfs/dbraw/zinc/43/88/10/757438810.db2.gz CGRGKKIJRUZNEW-HUUCEWRRSA-N 1 2 330.413 0.933 20 30 ECEDLO Cn1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)c1 ZINC001076880254 757438814 /nfs/dbraw/zinc/43/88/14/757438814.db2.gz CGRGKKIJRUZNEW-HUUCEWRRSA-N 1 2 330.413 0.933 20 30 ECEDLO C=CC(C)(C)C(=O)NCc1cn(C2CN(Cc3c[nH+]cn3C)C2)nn1 ZINC001107192226 757459709 /nfs/dbraw/zinc/45/97/09/757459709.db2.gz BEEDRKKYVYEBGH-UHFFFAOYSA-N 1 2 343.435 0.897 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCN(C(=O)[C@H](C)C#N)CC1)C2 ZINC001011304876 757464068 /nfs/dbraw/zinc/46/40/68/757464068.db2.gz NZWNVVSVBVYAOU-DGCLKSJQSA-N 1 2 329.404 0.654 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCN(C(=O)[C@H](C)C#N)CC1)CC2 ZINC001011304876 757464070 /nfs/dbraw/zinc/46/40/70/757464070.db2.gz NZWNVVSVBVYAOU-DGCLKSJQSA-N 1 2 329.404 0.654 20 30 ECEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001076906147 757558955 /nfs/dbraw/zinc/55/89/55/757558955.db2.gz OUFBRKWKTLDQKI-HUUCEWRRSA-N 1 2 329.360 0.466 20 30 ECEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001076906147 757558966 /nfs/dbraw/zinc/55/89/66/757558966.db2.gz OUFBRKWKTLDQKI-HUUCEWRRSA-N 1 2 329.360 0.466 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cn1 ZINC001076906134 757559142 /nfs/dbraw/zinc/55/91/42/757559142.db2.gz OGLFWGIOPYYDPT-HUUCEWRRSA-N 1 2 341.371 0.265 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cn1 ZINC001076906134 757559148 /nfs/dbraw/zinc/55/91/48/757559148.db2.gz OGLFWGIOPYYDPT-HUUCEWRRSA-N 1 2 341.371 0.265 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)Cc3ncccc3OC)nn2)C1 ZINC001107198838 757582402 /nfs/dbraw/zinc/58/24/02/757582402.db2.gz VGHWOYSPKQRTBQ-UHFFFAOYSA-N 1 2 342.403 0.583 20 30 ECEDLO Cn1nnnc1C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C#CC2CC2)C1 ZINC001021585904 757643296 /nfs/dbraw/zinc/64/32/96/757643296.db2.gz XLMLEUVNRQIPPX-GJZGRUSLSA-N 1 2 328.420 0.436 20 30 ECEDLO Cn1nnnc1C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C#CC2CC2)C1 ZINC001021585904 757643300 /nfs/dbraw/zinc/64/33/00/757643300.db2.gz XLMLEUVNRQIPPX-GJZGRUSLSA-N 1 2 328.420 0.436 20 30 ECEDLO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001049024399 757726471 /nfs/dbraw/zinc/72/64/71/757726471.db2.gz YSGIGLLIBCTNSN-UXOAXIEHSA-N 1 2 332.404 0.510 20 30 ECEDLO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001049024399 757726473 /nfs/dbraw/zinc/72/64/73/757726473.db2.gz YSGIGLLIBCTNSN-UXOAXIEHSA-N 1 2 332.404 0.510 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCNC(=O)C3CCC3)nn2)C1 ZINC001107219639 757837069 /nfs/dbraw/zinc/83/70/69/757837069.db2.gz RMZRVZXPSLCSTE-UHFFFAOYSA-N 1 2 346.435 0.243 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)c3nnnn3C)C[C@@H]2C1 ZINC001049068011 757868889 /nfs/dbraw/zinc/86/88/89/757868889.db2.gz HZDIXGRGIKKCAI-AHDPXTMNSA-N 1 2 346.435 0.252 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)c3nnnn3C)C[C@@H]2C1 ZINC001049068011 757868900 /nfs/dbraw/zinc/86/89/00/757868900.db2.gz HZDIXGRGIKKCAI-AHDPXTMNSA-N 1 2 346.435 0.252 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@]3(C)CCCOC3)nn2)C1 ZINC001107224911 757926295 /nfs/dbraw/zinc/92/62/95/757926295.db2.gz HIDFWHCZLUPYBD-KRWDZBQOSA-N 1 2 331.420 0.591 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)COc3ccccc3)nn2)C1 ZINC001107231720 757948429 /nfs/dbraw/zinc/94/84/29/757948429.db2.gz NEOQLQKZBBUFDW-UHFFFAOYSA-N 1 2 339.399 0.853 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C)[nH]n2)C1=O ZINC001032300498 757993318 /nfs/dbraw/zinc/99/33/18/757993318.db2.gz ZRGBFNKDJBMNCG-KCQAQPDRSA-N 1 2 329.404 0.404 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C)[nH]n2)C1=O ZINC001032300498 757993326 /nfs/dbraw/zinc/99/33/26/757993326.db2.gz ZRGBFNKDJBMNCG-KCQAQPDRSA-N 1 2 329.404 0.404 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CNC(=O)C(CC)CC)nn2)C1 ZINC001107244431 758006185 /nfs/dbraw/zinc/00/61/85/758006185.db2.gz XEDOHHLRQIRGSP-UHFFFAOYSA-N 1 2 348.451 0.489 20 30 ECEDLO C=CCC[N@H+]1C[C@H]2CN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)C[C@H]2C1 ZINC001049118414 758017108 /nfs/dbraw/zinc/01/71/08/758017108.db2.gz VFZOCGWEDUXQQB-BETUJISGSA-N 1 2 342.403 0.038 20 30 ECEDLO C=CCC[N@@H+]1C[C@H]2CN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)C[C@H]2C1 ZINC001049118414 758017115 /nfs/dbraw/zinc/01/71/15/758017115.db2.gz VFZOCGWEDUXQQB-BETUJISGSA-N 1 2 342.403 0.038 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C[C@H]3CCCOC3)nn2)C1 ZINC001107235763 758025243 /nfs/dbraw/zinc/02/52/43/758025243.db2.gz MSZLKWVZPNMDHW-CQSZACIVSA-N 1 2 331.420 0.591 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)OC[C@@H]3CCCO3)nn2)C1 ZINC001107241093 758042623 /nfs/dbraw/zinc/04/26/23/758042623.db2.gz MHPFQYBQZOGMLV-CJNGLKHVSA-N 1 2 349.435 0.521 20 30 ECEDLO Cc1noc(C[N@@H+]2C[C@@H]3CN(C(=O)CSCC#N)C[C@]3(C)C2)n1 ZINC001101135719 758102967 /nfs/dbraw/zinc/10/29/67/758102967.db2.gz VXGNQWKKHSADLG-DOMZBBRYSA-N 1 2 335.433 0.915 20 30 ECEDLO Cc1noc(C[N@H+]2C[C@@H]3CN(C(=O)CSCC#N)C[C@]3(C)C2)n1 ZINC001101135719 758102976 /nfs/dbraw/zinc/10/29/76/758102976.db2.gz VXGNQWKKHSADLG-DOMZBBRYSA-N 1 2 335.433 0.915 20 30 ECEDLO CC(C)(C)n1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001021989787 758136502 /nfs/dbraw/zinc/13/65/02/758136502.db2.gz DBAMOVRUGSFKPI-TXEJJXNPSA-N 1 2 342.407 0.678 20 30 ECEDLO C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001049152779 758142965 /nfs/dbraw/zinc/14/29/65/758142965.db2.gz KLJANFNTBJZDAY-GJZGRUSLSA-N 1 2 334.420 0.647 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1C[C@H]2CN(C(=O)Cc3ncn[nH]3)C[C@H]2C1 ZINC001049162859 758182821 /nfs/dbraw/zinc/18/28/21/758182821.db2.gz GCXYBRZQYZRNGD-IYBDPMFKSA-N 1 2 336.399 0.809 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1C[C@H]2CN(C(=O)Cc3ncn[nH]3)C[C@H]2C1 ZINC001049162859 758182828 /nfs/dbraw/zinc/18/28/28/758182828.db2.gz GCXYBRZQYZRNGD-IYBDPMFKSA-N 1 2 336.399 0.809 20 30 ECEDLO C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1O ZINC001049172712 758215001 /nfs/dbraw/zinc/21/50/01/758215001.db2.gz WPISEBBSILIZLV-STQMWFEESA-N 1 2 348.447 0.930 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4ncnn4C)C[C@@H]3C2)nc1 ZINC001049178002 758234207 /nfs/dbraw/zinc/23/42/07/758234207.db2.gz YZDRYOHHVRFFEA-GASCZTMLSA-N 1 2 336.399 0.395 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ncnn4C)C[C@@H]3C2)nc1 ZINC001049178002 758234216 /nfs/dbraw/zinc/23/42/16/758234216.db2.gz YZDRYOHHVRFFEA-GASCZTMLSA-N 1 2 336.399 0.395 20 30 ECEDLO C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC001049193574 758266069 /nfs/dbraw/zinc/26/60/69/758266069.db2.gz PXJPBHICYIFRSB-HOTGVXAUSA-N 1 2 348.447 0.739 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H](C)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001077144005 758335600 /nfs/dbraw/zinc/33/56/00/758335600.db2.gz PCWLHLAGPZTACO-DZGCQCFKSA-N 1 2 348.447 0.976 20 30 ECEDLO Cc1ncn(C)c1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001077177575 758414314 /nfs/dbraw/zinc/41/43/14/758414314.db2.gz VTHITXJVGIIGHE-ZIAGYGMSSA-N 1 2 345.428 0.637 20 30 ECEDLO Cc1ncn(C)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001077177575 758414319 /nfs/dbraw/zinc/41/43/19/758414319.db2.gz VTHITXJVGIIGHE-ZIAGYGMSSA-N 1 2 345.428 0.637 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001049321798 758517619 /nfs/dbraw/zinc/51/76/19/758517619.db2.gz QWVJUAUCROEYSN-IHRRRGAJSA-N 1 2 334.420 0.585 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001049321799 758517963 /nfs/dbraw/zinc/51/79/63/758517963.db2.gz QWVJUAUCROEYSN-RDBSUJKOSA-N 1 2 334.420 0.585 20 30 ECEDLO CNC(=O)c1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C)C#N)c1 ZINC001032318342 758571664 /nfs/dbraw/zinc/57/16/64/758571664.db2.gz MVFHPKJJMJFIKY-RCBQFDQVSA-N 1 2 326.400 0.991 20 30 ECEDLO CNC(=O)c1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C)C#N)c1 ZINC001032318342 758571669 /nfs/dbraw/zinc/57/16/69/758571669.db2.gz MVFHPKJJMJFIKY-RCBQFDQVSA-N 1 2 326.400 0.991 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3cn[nH]c3)cn2)C1 ZINC001077257915 758634237 /nfs/dbraw/zinc/63/42/37/758634237.db2.gz HZSOCNYRGKAHOW-HZPDHXFCSA-N 1 2 325.372 0.270 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3cn[nH]c3)cn2)C1 ZINC001077257915 758634240 /nfs/dbraw/zinc/63/42/40/758634240.db2.gz HZSOCNYRGKAHOW-HZPDHXFCSA-N 1 2 325.372 0.270 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(-c3ccccc3)nn2)C1 ZINC001077288537 758696922 /nfs/dbraw/zinc/69/69/22/758696922.db2.gz ZTFBIRAQFUCPIO-GDBMZVCRSA-N 1 2 325.372 0.066 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(-c3ccccc3)nn2)C1 ZINC001077288537 758696930 /nfs/dbraw/zinc/69/69/30/758696930.db2.gz ZTFBIRAQFUCPIO-GDBMZVCRSA-N 1 2 325.372 0.066 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N(C)[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC001049449426 758721175 /nfs/dbraw/zinc/72/11/75/758721175.db2.gz HEAKIXFDBGGSIG-GRDNDAEWSA-N 1 2 334.420 0.516 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N(C)[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1O ZINC001049453668 758732433 /nfs/dbraw/zinc/73/24/33/758732433.db2.gz JYQVVVZVADHIJG-SUNYJGFJSA-N 1 2 348.447 0.975 20 30 ECEDLO Cn1[nH]c(C[N@@H+]2CC[C@H]3[C@H]2CCCN3C(=O)C#CC2CC2)nc1=O ZINC001049468001 758763453 /nfs/dbraw/zinc/76/34/53/758763453.db2.gz SAETWSFJYYYUDW-KGLIPLIRSA-N 1 2 329.404 0.087 20 30 ECEDLO Cn1[nH]c(C[N@H+]2CC[C@H]3[C@H]2CCCN3C(=O)C#CC2CC2)nc1=O ZINC001049468001 758763461 /nfs/dbraw/zinc/76/34/61/758763461.db2.gz SAETWSFJYYYUDW-KGLIPLIRSA-N 1 2 329.404 0.087 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@H]2C)nc1 ZINC001011854990 758772014 /nfs/dbraw/zinc/77/20/14/758772014.db2.gz DTKOTSRHEYWZFD-ZFWWWQNUSA-N 1 2 337.383 0.679 20 30 ECEDLO Cc1nnccc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077311863 758773541 /nfs/dbraw/zinc/77/35/41/758773541.db2.gz BUBQVGOQJNESRN-IAGOWNOFSA-N 1 2 337.383 0.632 20 30 ECEDLO Cc1nnccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077311863 758773547 /nfs/dbraw/zinc/77/35/47/758773547.db2.gz BUBQVGOQJNESRN-IAGOWNOFSA-N 1 2 337.383 0.632 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)[C@@H]3C2)cn1 ZINC001022523252 758835902 /nfs/dbraw/zinc/83/59/02/758835902.db2.gz YHQWOKQKIBGALB-GOEBONIOSA-N 1 2 349.394 0.702 20 30 ECEDLO C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001077366701 758917179 /nfs/dbraw/zinc/91/71/79/758917179.db2.gz WBTIIOXYZQMDKO-HZPDHXFCSA-N 1 2 327.388 0.618 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1C ZINC001011938293 759003549 /nfs/dbraw/zinc/00/35/49/759003549.db2.gz DIPFXWSEQZCWHI-DGCLKSJQSA-N 1 2 340.387 0.880 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)Cc3ccccc3)[C@@H](O)C2)C1=O ZINC001083576319 759006291 /nfs/dbraw/zinc/00/62/91/759006291.db2.gz SFGPZAFGHWDPPU-IKGGRYGDSA-N 1 2 343.427 0.177 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)Cc3ccccc3)[C@@H](O)C2)C1=O ZINC001083576319 759006299 /nfs/dbraw/zinc/00/62/99/759006299.db2.gz SFGPZAFGHWDPPU-IKGGRYGDSA-N 1 2 343.427 0.177 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1nncn1C ZINC001049734410 759146894 /nfs/dbraw/zinc/14/68/94/759146894.db2.gz DWJDJMVGKWMHTH-QXSJWSMHSA-N 1 2 345.447 0.972 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1nncn1C ZINC001049734410 759146898 /nfs/dbraw/zinc/14/68/98/759146898.db2.gz DWJDJMVGKWMHTH-QXSJWSMHSA-N 1 2 345.447 0.972 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001012008852 759189198 /nfs/dbraw/zinc/18/91/98/759189198.db2.gz PVVSEBZDJLPVDJ-GWCFXTLKSA-N 1 2 326.360 0.571 20 30 ECEDLO CCc1n[nH]cc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083594160 759195489 /nfs/dbraw/zinc/19/54/89/759195489.db2.gz OTHJPZUVIODSMT-SJORKVTESA-N 1 2 339.399 0.819 20 30 ECEDLO CCc1n[nH]cc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083594160 759195495 /nfs/dbraw/zinc/19/54/95/759195495.db2.gz OTHJPZUVIODSMT-SJORKVTESA-N 1 2 339.399 0.819 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](CCCN2CCCC2=O)C1 ZINC001031088882 767851467 /nfs/dbraw/zinc/85/14/67/767851467.db2.gz OCFDLDCFMCKUDM-RDJZCZTQSA-N 1 2 335.448 0.781 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)nc3cc(C)nn32)C1 ZINC001047633670 759355176 /nfs/dbraw/zinc/35/51/76/759355176.db2.gz GYBWREKNSBFOHM-GJZGRUSLSA-N 1 2 327.388 0.096 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)nc3cc(C)nn32)C1 ZINC001047633670 759355187 /nfs/dbraw/zinc/35/51/87/759355187.db2.gz GYBWREKNSBFOHM-GJZGRUSLSA-N 1 2 327.388 0.096 20 30 ECEDLO C#CCOCCC(=O)NCC[NH2+]Cc1nc(Cc2ccccc2)no1 ZINC001127027451 759584647 /nfs/dbraw/zinc/58/46/47/759584647.db2.gz SBYKAQMAPAMVQA-UHFFFAOYSA-N 1 2 342.399 0.906 20 30 ECEDLO C#CCOCCC(=O)N1CCC(OC2C[NH+](CCOCC)C2)CC1 ZINC001105708552 759657656 /nfs/dbraw/zinc/65/76/56/759657656.db2.gz NTTKVWFRXVPEHR-UHFFFAOYSA-N 1 2 338.448 0.755 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cn2cccn2)C1=O ZINC001017353293 767885205 /nfs/dbraw/zinc/88/52/05/767885205.db2.gz CKDADRWIWORCGY-OWCLPIDISA-N 1 2 343.431 0.345 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cn2cccn2)C1=O ZINC001017353293 767885212 /nfs/dbraw/zinc/88/52/12/767885212.db2.gz CKDADRWIWORCGY-OWCLPIDISA-N 1 2 343.431 0.345 20 30 ECEDLO C=CCOCC(=O)NC/C=C\CNc1ncnc2c1C[N@H+](C)CC2 ZINC001107075591 759789346 /nfs/dbraw/zinc/78/93/46/759789346.db2.gz UJGXBVWTOLZFRN-PLNGDYQASA-N 1 2 331.420 0.751 20 30 ECEDLO C=CCOCC(=O)NC/C=C\CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001107075591 759789355 /nfs/dbraw/zinc/78/93/55/759789355.db2.gz UJGXBVWTOLZFRN-PLNGDYQASA-N 1 2 331.420 0.751 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001050297742 760079327 /nfs/dbraw/zinc/07/93/27/760079327.db2.gz PJECQWFXTVOMBD-HUUCEWRRSA-N 1 2 348.447 0.909 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001012539241 760231533 /nfs/dbraw/zinc/23/15/33/760231533.db2.gz OSALXRXEAOHXQM-BXUZGUMPSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000945478376 760360856 /nfs/dbraw/zinc/36/08/56/760360856.db2.gz XIYNJDBBHOHOLE-WCQYABFASA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000945478377 760361234 /nfs/dbraw/zinc/36/12/34/760361234.db2.gz XIYNJDBBHOHOLE-YPMHNXCESA-N 1 2 340.387 0.819 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)CCCC(C)=O)nn2)C1 ZINC001107125443 760497350 /nfs/dbraw/zinc/49/73/50/760497350.db2.gz ZSRLJAGONDGSPD-UHFFFAOYSA-N 1 2 349.435 0.713 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)COCC3CC3)nn2)C1 ZINC001107135404 760590950 /nfs/dbraw/zinc/59/09/50/760590950.db2.gz SRJYSLLPBSONCV-UHFFFAOYSA-N 1 2 349.435 0.380 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001060235443 760814177 /nfs/dbraw/zinc/81/41/77/760814177.db2.gz NKTBPNRLKQBXNY-GUYCJALGSA-N 1 2 334.420 0.634 20 30 ECEDLO Cc1nc(N(C)C)nc(NCC[C@@H](C)NC(=O)CSCC#N)[nH+]1 ZINC001106230486 767992788 /nfs/dbraw/zinc/99/27/88/767992788.db2.gz MRBWOFUDQJCEOH-SNVBAGLBSA-N 1 2 337.453 0.810 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)c3nccs3)C[C@@H]2C1 ZINC001048725618 761050188 /nfs/dbraw/zinc/05/01/88/761050188.db2.gz UOXOGRRZHVINGM-UPJWGTAASA-N 1 2 347.444 0.656 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)c3nccs3)C[C@@H]2C1 ZINC001048725618 761050196 /nfs/dbraw/zinc/05/01/96/761050196.db2.gz UOXOGRRZHVINGM-UPJWGTAASA-N 1 2 347.444 0.656 20 30 ECEDLO Cn1ncnc1C[N@H+]1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C1 ZINC001048748145 761105915 /nfs/dbraw/zinc/10/59/15/761105915.db2.gz BMBFBVFACHNJHQ-BETUJISGSA-N 1 2 325.376 0.219 20 30 ECEDLO Cn1ncnc1C[N@@H+]1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C1 ZINC001048748145 761105921 /nfs/dbraw/zinc/10/59/21/761105921.db2.gz BMBFBVFACHNJHQ-BETUJISGSA-N 1 2 325.376 0.219 20 30 ECEDLO CCn1ncnc1C[N@H+]1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C1 ZINC001048748211 761106089 /nfs/dbraw/zinc/10/60/89/761106089.db2.gz CQJAFPKQKDDIMG-OKILXGFUSA-N 1 2 339.403 0.702 20 30 ECEDLO CCn1ncnc1C[N@@H+]1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C1 ZINC001048748211 761106094 /nfs/dbraw/zinc/10/60/94/761106094.db2.gz CQJAFPKQKDDIMG-OKILXGFUSA-N 1 2 339.403 0.702 20 30 ECEDLO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@@H]1O ZINC001048754217 761117033 /nfs/dbraw/zinc/11/70/33/761117033.db2.gz NGNFVGZZANDOQU-JYJNAYRXSA-N 1 2 346.431 0.668 20 30 ECEDLO CC#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001048762252 761130794 /nfs/dbraw/zinc/13/07/94/761130794.db2.gz QJLODMWSBHTRAD-GJZGRUSLSA-N 1 2 346.431 0.566 20 30 ECEDLO C#CCN1CCOC[C@@H]1CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001050924662 761153539 /nfs/dbraw/zinc/15/35/39/761153539.db2.gz JEJXASFUOWVZAB-BBRMVZONSA-N 1 2 331.420 0.240 20 30 ECEDLO C#CCN1CCOC[C@@H]1CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001050924662 761153542 /nfs/dbraw/zinc/15/35/42/761153542.db2.gz JEJXASFUOWVZAB-BBRMVZONSA-N 1 2 331.420 0.240 20 30 ECEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@@H]2COCCN2CC#N)[nH]n1 ZINC001050926320 761155268 /nfs/dbraw/zinc/15/52/68/761155268.db2.gz ZXYFIKPUSKPAFN-IUODEOHRSA-N 1 2 332.408 0.131 20 30 ECEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@@H]2COCCN2CC#N)[nH]n1 ZINC001050926320 761155271 /nfs/dbraw/zinc/15/52/71/761155271.db2.gz ZXYFIKPUSKPAFN-IUODEOHRSA-N 1 2 332.408 0.131 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC001050944908 761187038 /nfs/dbraw/zinc/18/70/38/761187038.db2.gz GDSPHCKVXUFVBQ-HZPDHXFCSA-N 1 2 337.464 0.884 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC001050944908 761187042 /nfs/dbraw/zinc/18/70/42/761187042.db2.gz GDSPHCKVXUFVBQ-HZPDHXFCSA-N 1 2 337.464 0.884 20 30 ECEDLO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(=O)[nH]c2ncn(C)c21 ZINC001050952279 761207540 /nfs/dbraw/zinc/20/75/40/761207540.db2.gz NZTAIXIEUHZWQM-LBPRGKRZSA-N 1 2 343.387 0.128 20 30 ECEDLO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(=O)[nH]c2ncn(C)c21 ZINC001050952279 761207544 /nfs/dbraw/zinc/20/75/44/761207544.db2.gz NZTAIXIEUHZWQM-LBPRGKRZSA-N 1 2 343.387 0.128 20 30 ECEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CCCn3ccnn3)CC2)C1 ZINC001105713401 761233033 /nfs/dbraw/zinc/23/30/33/761233033.db2.gz CTJHFTXTUSJANI-UHFFFAOYSA-N 1 2 333.436 0.936 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccnc2c1CC(=O)N2 ZINC001051001765 761312863 /nfs/dbraw/zinc/31/28/63/761312863.db2.gz XAFUZSZHELZEFZ-ZDUSSCGKSA-N 1 2 344.415 0.973 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccnc2c1CC(=O)N2 ZINC001051001765 761312873 /nfs/dbraw/zinc/31/28/73/761312873.db2.gz XAFUZSZHELZEFZ-ZDUSSCGKSA-N 1 2 344.415 0.973 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)CCn1cc[nH+]c1 ZINC001013407957 761375630 /nfs/dbraw/zinc/37/56/30/761375630.db2.gz RUDJGXZOGYVACC-TZMCWYRMSA-N 1 2 340.387 0.892 20 30 ECEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C(=O)NCC(F)(F)F)CC2)C1 ZINC001105730603 761379857 /nfs/dbraw/zinc/37/98/57/761379857.db2.gz QSNWGCSLYIMFST-UHFFFAOYSA-N 1 2 349.353 0.543 20 30 ECEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CS(=O)(=O)CC)CC2)C1 ZINC001105734180 761409809 /nfs/dbraw/zinc/40/98/09/761409809.db2.gz DGNWFLHSQYVARV-UHFFFAOYSA-N 1 2 330.450 0.299 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@@H]2C)nc1 ZINC001013467214 761454012 /nfs/dbraw/zinc/45/40/12/761454012.db2.gz DFIANRVFDDMBTJ-WFASDCNBSA-N 1 2 337.383 0.748 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001051087122 761465666 /nfs/dbraw/zinc/46/56/66/761465666.db2.gz PYEMYFBQMMUMEI-LLVKDONJSA-N 1 2 331.376 0.670 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001051087122 761465669 /nfs/dbraw/zinc/46/56/69/761465669.db2.gz PYEMYFBQMMUMEI-LLVKDONJSA-N 1 2 331.376 0.670 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2CC[C@@H]2CCOC2)nc1 ZINC001051214309 761704232 /nfs/dbraw/zinc/70/42/32/761704232.db2.gz KQVRATPPOYMGHQ-IAGOWNOFSA-N 1 2 343.427 0.920 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2CC[C@@H]2CCOC2)nc1 ZINC001051214309 761704236 /nfs/dbraw/zinc/70/42/36/761704236.db2.gz KQVRATPPOYMGHQ-IAGOWNOFSA-N 1 2 343.427 0.920 20 30 ECEDLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001212165838 761882217 /nfs/dbraw/zinc/88/22/17/761882217.db2.gz KFLUKTZZRDTODY-CHWSQXEVSA-N 1 2 336.417 0.071 20 30 ECEDLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001212165838 761882228 /nfs/dbraw/zinc/88/22/28/761882228.db2.gz KFLUKTZZRDTODY-CHWSQXEVSA-N 1 2 336.417 0.071 20 30 ECEDLO N#Cc1cnc(N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)c(F)c1 ZINC001051700198 762729179 /nfs/dbraw/zinc/72/91/79/762729179.db2.gz KIEKINUMDFXHED-KGLIPLIRSA-N 1 2 344.350 0.045 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(c3cc[nH+]c(C)n3)C[C@@H]2O)cn1 ZINC001051712921 762768675 /nfs/dbraw/zinc/76/86/75/762768675.db2.gz OIGSYPRONFNIDE-HOTGVXAUSA-N 1 2 337.383 0.531 20 30 ECEDLO Cc1cc(C#N)nc(N(C)CCCN(C)C(=O)Cc2[nH]cc[nH+]2)n1 ZINC001112118420 762954422 /nfs/dbraw/zinc/95/44/22/762954422.db2.gz GDUALCMGQKOQFD-UHFFFAOYSA-N 1 2 327.392 0.907 20 30 ECEDLO Cc1cc(N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](O)C2)c(C#N)cn1 ZINC001051791004 762975429 /nfs/dbraw/zinc/97/54/29/762975429.db2.gz ZHILMCBOXKUETK-HOCLYGCPSA-N 1 2 340.387 0.283 20 30 ECEDLO C=CCOc1cccnc1C(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001105959697 763066184 /nfs/dbraw/zinc/06/61/84/763066184.db2.gz PZYRVSWSLPCPKA-CYBMUJFWSA-N 1 2 343.387 0.948 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2csnn2)C1 ZINC001051834093 763075509 /nfs/dbraw/zinc/07/55/09/763075509.db2.gz GRGPHGCXYCBQOV-MJBXVCDLSA-N 1 2 338.433 0.446 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001046778556 763112942 /nfs/dbraw/zinc/11/29/42/763112942.db2.gz HQSNXCDTTAGYTE-GXFFZTMASA-N 1 2 330.226 0.754 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001046778556 763112945 /nfs/dbraw/zinc/11/29/45/763112945.db2.gz HQSNXCDTTAGYTE-GXFFZTMASA-N 1 2 330.226 0.754 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@@H](O)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001105971397 763118184 /nfs/dbraw/zinc/11/81/84/763118184.db2.gz YXCIOHASTKDLKA-JSGCOSHPSA-N 1 2 346.431 0.591 20 30 ECEDLO Cn1cnc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1=O ZINC001014785201 763150252 /nfs/dbraw/zinc/15/02/52/763150252.db2.gz MESPBSSAQGGRNT-HNNXBMFYSA-N 1 2 337.383 0.656 20 30 ECEDLO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cc1=O ZINC001014785201 763150256 /nfs/dbraw/zinc/15/02/56/763150256.db2.gz MESPBSSAQGGRNT-HNNXBMFYSA-N 1 2 337.383 0.656 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2C[NH+](C[C@H]3CCS(=O)(=O)C3)C2)cc1 ZINC001031892339 763348068 /nfs/dbraw/zinc/34/80/68/763348068.db2.gz XXJIHAFLYLFNKH-OAHLLOKOSA-N 1 2 346.452 0.764 20 30 ECEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@H]3C(N)=O)C2)ccc1F ZINC001031896553 763425222 /nfs/dbraw/zinc/42/52/22/763425222.db2.gz HSZYUVOAXQRCPC-HUUCEWRRSA-N 1 2 344.390 0.757 20 30 ECEDLO CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001046970311 763488929 /nfs/dbraw/zinc/48/89/29/763488929.db2.gz IMIDUTDKZUOPTH-LLVKDONJSA-N 1 2 326.347 0.836 20 30 ECEDLO CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001046970311 763488933 /nfs/dbraw/zinc/48/89/33/763488933.db2.gz IMIDUTDKZUOPTH-LLVKDONJSA-N 1 2 326.347 0.836 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)C3=COCCO3)C2)CC1 ZINC001051976520 763494272 /nfs/dbraw/zinc/49/42/72/763494272.db2.gz FITQRGSNHYLVDD-CQSZACIVSA-N 1 2 341.839 0.846 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H](C)CCNC(=O)CCn2cc[nH+]c2)c1 ZINC001077573586 763540869 /nfs/dbraw/zinc/54/08/69/763540869.db2.gz MGUMMEWFCURGNQ-AWEZNQCLSA-N 1 2 339.399 0.974 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(Cc3cncn3C)CC2)C1 ZINC001051997569 763547622 /nfs/dbraw/zinc/54/76/22/763547622.db2.gz DSDTXFDTHOBXRG-CABCVRRESA-N 1 2 330.436 0.298 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(Cc3nccn3C)CC2)C1 ZINC001051997788 763548690 /nfs/dbraw/zinc/54/86/90/763548690.db2.gz IGZUXVXLPORWEE-LSDHHAIUSA-N 1 2 330.436 0.298 20 30 ECEDLO Cc1cnc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)o1 ZINC001051997800 763549060 /nfs/dbraw/zinc/54/90/60/763549060.db2.gz IPQVAONLFRSRMX-HIFRSBDPSA-N 1 2 331.420 0.861 20 30 ECEDLO Cc1oncc1CN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001051998605 763551665 /nfs/dbraw/zinc/55/16/65/763551665.db2.gz WGJCLFZMWZJOLM-CJNGLKHVSA-N 1 2 331.420 0.861 20 30 ECEDLO Cc1oncc1C[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001051998605 763551670 /nfs/dbraw/zinc/55/16/70/763551670.db2.gz WGJCLFZMWZJOLM-CJNGLKHVSA-N 1 2 331.420 0.861 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnnc(C)c3)C2)CC1 ZINC001052020614 763602640 /nfs/dbraw/zinc/60/26/40/763602640.db2.gz IOUSQRZSBBRYHK-QGZVFWFLSA-N 1 2 327.432 0.640 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccn(C)n3)C2)CC1 ZINC001052025178 763615934 /nfs/dbraw/zinc/61/59/34/763615934.db2.gz ZUDIYLTWDXQBCK-QGZVFWFLSA-N 1 2 331.464 0.757 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3nn(C)cc3C)C2)CC1 ZINC001052025595 763617735 /nfs/dbraw/zinc/61/77/35/763617735.db2.gz HSYJAYPAYNUFGD-MRXNPFEDSA-N 1 2 329.448 0.584 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3ccn(CC)n3)C2)CC1 ZINC001052031773 763634215 /nfs/dbraw/zinc/63/42/15/763634215.db2.gz WNVABCQJLXPGLQ-KRWDZBQOSA-N 1 2 329.448 0.297 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C)nnc3C)C2)CC1 ZINC001052033734 763637697 /nfs/dbraw/zinc/63/76/97/763637697.db2.gz UJSDHFHPVSDWJW-MRXNPFEDSA-N 1 2 327.432 0.559 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccnc4[nH]cnc43)C2)CC1 ZINC001052035855 763644730 /nfs/dbraw/zinc/64/47/30/763644730.db2.gz RRRJPZSLBJNINM-CQSZACIVSA-N 1 2 340.431 0.976 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn4c3CCC4)C2)CC1 ZINC001052036839 763651160 /nfs/dbraw/zinc/65/11/60/763651160.db2.gz WAFPRKXAHDFFBH-MRXNPFEDSA-N 1 2 341.459 0.685 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)c3[nH]c(=O)[nH]c3C)C2)CC1 ZINC001052042065 763669552 /nfs/dbraw/zinc/66/95/52/763669552.db2.gz XGWSUGKMUDBIDK-AWEZNQCLSA-N 1 2 331.420 0.279 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1CCN(C(=O)C#CC3CC3)C1)C2 ZINC000941229842 763670352 /nfs/dbraw/zinc/67/03/52/763670352.db2.gz OGEMFGBSWIDJNA-LSDHHAIUSA-N 1 2 340.427 0.954 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1CCN(C(=O)C#CC3CC3)C1)CC2 ZINC000941229842 763670357 /nfs/dbraw/zinc/67/03/57/763670357.db2.gz OGEMFGBSWIDJNA-LSDHHAIUSA-N 1 2 340.427 0.954 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCc4cncn4C3)C2)CC1 ZINC001052044061 763677151 /nfs/dbraw/zinc/67/71/51/763677151.db2.gz BYJPLBKLEXIXIP-NVXWUHKLSA-N 1 2 342.447 0.188 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)C2)CC1 ZINC001052045441 763683532 /nfs/dbraw/zinc/68/35/32/763683532.db2.gz SXBAVNIAHMCKQW-IAGOWNOFSA-N 1 2 346.475 0.097 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cccc4ncnn43)C2)CC1 ZINC001052047560 763690929 /nfs/dbraw/zinc/69/09/29/763690929.db2.gz QVLJCZPGWWKDKD-AWEZNQCLSA-N 1 2 339.403 0.085 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C2)CC1 ZINC001052048177 763695109 /nfs/dbraw/zinc/69/51/09/763695109.db2.gz NFJPXBAQRNKWIM-CQSZACIVSA-N 1 2 329.448 0.917 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)Cn3nc(C)cc3C)C2)CC1 ZINC001052050253 763705936 /nfs/dbraw/zinc/70/59/36/763705936.db2.gz UIAQKXXCIQIVKL-GOSISDBHSA-N 1 2 343.475 0.742 20 30 ECEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cn1 ZINC001106014658 763712811 /nfs/dbraw/zinc/71/28/11/763712811.db2.gz BKPFLHPNOYHPOF-IUODEOHRSA-N 1 2 340.387 0.301 20 30 ECEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)cn1 ZINC001106015410 763716582 /nfs/dbraw/zinc/71/65/82/763716582.db2.gz IVMMFIRNGJRGDH-MLGOLLRUSA-N 1 2 340.387 0.301 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](OC)c3cnn(C)c3)C2)CC1 ZINC001052054776 763721652 /nfs/dbraw/zinc/72/16/52/763721652.db2.gz CRXONUZJUNKROP-IAGOWNOFSA-N 1 2 347.463 0.512 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)Cc3cn(CC)nn3)C2)CC1 ZINC001052055539 763724478 /nfs/dbraw/zinc/72/44/78/763724478.db2.gz NRHDJQXTHFBIJT-KRWDZBQOSA-N 1 2 346.479 0.635 20 30 ECEDLO C=CCCO[C@H](C)C(=O)NCC[NH2+]Cc1nc(CCOC)no1 ZINC001124483203 763735470 /nfs/dbraw/zinc/73/54/70/763735470.db2.gz KYIQOWSCWXGFQC-GFCCVEGCSA-N 1 2 326.397 0.446 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cccnc3OC)C2)CC1 ZINC001052074471 763779576 /nfs/dbraw/zinc/77/95/76/763779576.db2.gz DWKIFMIWWGCHGK-INIZCTEOSA-N 1 2 342.443 0.946 20 30 ECEDLO COc1ncccc1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052074627 763780643 /nfs/dbraw/zinc/78/06/43/763780643.db2.gz IRVQHZIZWXALQY-CQSZACIVSA-N 1 2 329.404 0.446 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]([NH+]2CCN(CC(=O)NC)CC2)C1 ZINC001052078071 763788245 /nfs/dbraw/zinc/78/82/45/763788245.db2.gz ZADCSYVGDOKHIS-QAPCUYQASA-N 1 2 336.480 0.553 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(C(F)F)n[nH]3)C2)CC1 ZINC001052082555 763802340 /nfs/dbraw/zinc/80/23/40/763802340.db2.gz UFYYYSXZYYOTSR-LLVKDONJSA-N 1 2 338.362 0.703 20 30 ECEDLO CN(C(=O)C1CCOCC1)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047278456 763867862 /nfs/dbraw/zinc/86/78/62/763867862.db2.gz SFDLWAZEIJXYIX-OALUTQOASA-N 1 2 342.439 0.968 20 30 ECEDLO CN(C(=O)C1CCOCC1)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047278456 763867868 /nfs/dbraw/zinc/86/78/68/763867868.db2.gz SFDLWAZEIJXYIX-OALUTQOASA-N 1 2 342.439 0.968 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c[nH]nc3C3CC3)C2)CC1 ZINC001052106036 763878746 /nfs/dbraw/zinc/87/87/46/763878746.db2.gz ZSKJGOQKZPKGMJ-CQSZACIVSA-N 1 2 328.420 0.643 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)Cc3nnc[nH]3)C2)CC1 ZINC001052106086 763879030 /nfs/dbraw/zinc/87/90/30/763879030.db2.gz AVDYBPUPFMPBOJ-ZDUSSCGKSA-N 1 2 338.843 0.318 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn(C(C)C)c3)C2)CC1 ZINC001052108276 763890376 /nfs/dbraw/zinc/89/03/76/763890376.db2.gz LSUUMZUUJBCIAT-QGZVFWFLSA-N 1 2 329.448 0.929 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cn4ccccc4n3)C2)CC1 ZINC001052113522 763912323 /nfs/dbraw/zinc/91/23/23/763912323.db2.gz XSYYHRLMEFZXAW-INIZCTEOSA-N 1 2 337.427 0.800 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)Cn3cncn3)C2)CC1 ZINC001052113772 763913876 /nfs/dbraw/zinc/91/38/76/763913876.db2.gz COOLCLQUANMNGE-AWEZNQCLSA-N 1 2 338.843 0.249 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)C(C)C)C[C@H]1OC ZINC001212187007 763928098 /nfs/dbraw/zinc/92/80/98/763928098.db2.gz HBCXEKZPGSSNMU-ARFHVFGLSA-N 1 2 337.464 0.766 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N[C@@H](C)C(C)C)C[C@H]1OC ZINC001212187007 763928106 /nfs/dbraw/zinc/92/81/06/763928106.db2.gz HBCXEKZPGSSNMU-ARFHVFGLSA-N 1 2 337.464 0.766 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)CCN3CCCC3=O)C2)CC1 ZINC001052117434 763928899 /nfs/dbraw/zinc/92/88/99/763928899.db2.gz NIPFIURHZKSPHC-QGZVFWFLSA-N 1 2 346.475 0.241 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C(N)=O)cs3)C2)CC1 ZINC001052122033 763944993 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C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(C3CCCC3)n2)C1 ZINC001047581175 764766612 /nfs/dbraw/zinc/76/66/12/764766612.db2.gz LXBXXTFCSHSBDY-HOTGVXAUSA-N 1 2 328.416 0.885 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(C3CCCC3)n2)C1 ZINC001047581175 764766622 /nfs/dbraw/zinc/76/66/22/764766622.db2.gz LXBXXTFCSHSBDY-HOTGVXAUSA-N 1 2 328.416 0.885 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccncc2C(F)(F)F)C1 ZINC001047582550 764772252 /nfs/dbraw/zinc/77/22/52/764772252.db2.gz VXKWNNWEHWYUTC-STQMWFEESA-N 1 2 327.306 0.851 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccncc2C(F)(F)F)C1 ZINC001047582550 764772257 /nfs/dbraw/zinc/77/22/57/764772257.db2.gz VXKWNNWEHWYUTC-STQMWFEESA-N 1 2 327.306 0.851 20 30 ECEDLO C=CCOc1cccnc1C(=O)N(C)[C@H]1C[N@H+](CC#CC)C[C@@H]1O ZINC001047592478 764807828 /nfs/dbraw/zinc/80/78/28/764807828.db2.gz RJWNOHFCGRRVNX-GJZGRUSLSA-N 1 2 329.400 0.787 20 30 ECEDLO C=CCOc1cccnc1C(=O)N(C)[C@H]1C[N@@H+](CC#CC)C[C@@H]1O ZINC001047592478 764807839 /nfs/dbraw/zinc/80/78/39/764807839.db2.gz RJWNOHFCGRRVNX-GJZGRUSLSA-N 1 2 329.400 0.787 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@H+](Cc3ccccn3)C[C@@H]2O)nc1 ZINC001047599943 764839957 /nfs/dbraw/zinc/83/99/57/764839957.db2.gz HQJAELXFGJHTMC-ROUUACIJSA-N 1 2 336.395 0.775 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2O)nc1 ZINC001047599943 764839965 /nfs/dbraw/zinc/83/99/65/764839965.db2.gz HQJAELXFGJHTMC-ROUUACIJSA-N 1 2 336.395 0.775 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC000993157166 768247445 /nfs/dbraw/zinc/24/74/45/768247445.db2.gz PTNYYKZOTUONHI-IIYDPXPESA-N 1 2 329.404 0.429 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2COCCN2C(C)=O)[C@H]1C ZINC001089049210 764896944 /nfs/dbraw/zinc/89/69/44/764896944.db2.gz XRXRGIGQAQEWLV-KWCYVHTRSA-N 1 2 329.828 0.565 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2COCCN2C(C)=O)[C@H]1C ZINC001089049210 764896947 /nfs/dbraw/zinc/89/69/47/764896947.db2.gz XRXRGIGQAQEWLV-KWCYVHTRSA-N 1 2 329.828 0.565 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000992056496 765315351 /nfs/dbraw/zinc/31/53/51/765315351.db2.gz JQHXELZJVQCPRW-GZBFAFLISA-N 1 2 341.415 0.641 20 30 ECEDLO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cc3nnc[nH]3)C2)cc1C#N ZINC001015968064 765635377 /nfs/dbraw/zinc/63/53/77/765635377.db2.gz PLFBEPXIGMFAAN-CQSZACIVSA-N 1 2 340.387 0.618 20 30 ECEDLO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)Cc3nnc[nH]3)C2)cc1C#N ZINC001015968064 765635379 /nfs/dbraw/zinc/63/53/79/765635379.db2.gz PLFBEPXIGMFAAN-CQSZACIVSA-N 1 2 340.387 0.618 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001015968627 765637671 /nfs/dbraw/zinc/63/76/71/765637671.db2.gz FAXCSBNRGJPNDN-ZIAGYGMSSA-N 1 2 344.415 0.681 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC001015968627 765637674 /nfs/dbraw/zinc/63/76/74/765637674.db2.gz FAXCSBNRGJPNDN-ZIAGYGMSSA-N 1 2 344.415 0.681 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001015969910 765639611 /nfs/dbraw/zinc/63/96/11/765639611.db2.gz YTUYJPDEQHCVHN-CQSZACIVSA-N 1 2 344.415 0.729 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001015969910 765639616 /nfs/dbraw/zinc/63/96/16/765639616.db2.gz YTUYJPDEQHCVHN-CQSZACIVSA-N 1 2 344.415 0.729 20 30 ECEDLO C[C@@H](CCNC(=O)Cc1c[nH+]cn1C)NC(=O)c1cc(C#N)c[nH]1 ZINC001077498497 765711374 /nfs/dbraw/zinc/71/13/74/765711374.db2.gz QPEGESCFEGXPEX-NSHDSACASA-N 1 2 328.376 0.487 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001016016709 765723421 /nfs/dbraw/zinc/72/34/21/765723421.db2.gz NLDNVUBMGFRTSV-AWEZNQCLSA-N 1 2 339.399 0.831 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001016016709 765723425 /nfs/dbraw/zinc/72/34/25/765723425.db2.gz NLDNVUBMGFRTSV-AWEZNQCLSA-N 1 2 339.399 0.831 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)c1 ZINC001016030937 765733160 /nfs/dbraw/zinc/73/31/60/765733160.db2.gz MRPLQBJGPSFFFI-HIFRSBDPSA-N 1 2 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ZINC001212196474 766151987 /nfs/dbraw/zinc/15/19/87/766151987.db2.gz UGJLBLQDITXAJM-XNRPHZJLSA-N 1 2 349.431 0.962 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccoc2CC)[C@H](OC)C1 ZINC001212196474 766151991 /nfs/dbraw/zinc/15/19/91/766151991.db2.gz UGJLBLQDITXAJM-XNRPHZJLSA-N 1 2 349.431 0.962 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001016371542 766195658 /nfs/dbraw/zinc/19/56/58/766195658.db2.gz IQNQZPCBEGSPTO-UHFFFAOYSA-N 1 2 326.360 0.571 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnn3c2nc(C)cc3C)[C@@H](O)C1 ZINC001083690259 766342413 /nfs/dbraw/zinc/34/24/13/766342413.db2.gz JUSWEBRRPCRGAR-CABCVRRESA-N 1 2 327.388 0.144 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnn3c2nc(C)cc3C)[C@@H](O)C1 ZINC001083690259 766342416 /nfs/dbraw/zinc/34/24/16/766342416.db2.gz JUSWEBRRPCRGAR-CABCVRRESA-N 1 2 327.388 0.144 20 30 ECEDLO CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C1 ZINC001212249118 766367563 /nfs/dbraw/zinc/36/75/63/766367563.db2.gz XWUFWMWRAVHAKE-QLFBSQMISA-N 1 2 337.464 0.895 20 30 ECEDLO CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C1 ZINC001212249118 766367572 /nfs/dbraw/zinc/36/75/72/766367572.db2.gz XWUFWMWRAVHAKE-QLFBSQMISA-N 1 2 337.464 0.895 20 30 ECEDLO C=CCCC1(C(=O)NCC2(O)CN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001045785910 766369806 /nfs/dbraw/zinc/36/98/06/766369806.db2.gz VQZVJJMBYGJSOY-UHFFFAOYSA-N 1 2 346.431 0.709 20 30 ECEDLO Cn1nnnc1C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C#CC1CC1)C2 ZINC001045937551 766509346 /nfs/dbraw/zinc/50/93/46/766509346.db2.gz GFZYPBPTNZICRU-GOSISDBHSA-N 1 2 342.447 0.828 20 30 ECEDLO Cn1nnnc1C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C#CC1CC1)C2 ZINC001045937551 766509355 /nfs/dbraw/zinc/50/93/55/766509355.db2.gz GFZYPBPTNZICRU-GOSISDBHSA-N 1 2 342.447 0.828 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCc3nn[nH]c31)O2 ZINC001053654585 766520220 /nfs/dbraw/zinc/52/02/20/766520220.db2.gz QPTLSTPFRNKAQS-CHWSQXEVSA-N 1 2 331.420 0.760 20 30 ECEDLO N#CCN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCc3[nH+]c[nH]c31)O2 ZINC001053662172 766533436 /nfs/dbraw/zinc/53/34/36/766533436.db2.gz DVFXSEWPXKUBAA-CHWSQXEVSA-N 1 2 329.404 0.703 20 30 ECEDLO N#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCc3[nH+]c[nH]c31)O2 ZINC001053662174 766533679 /nfs/dbraw/zinc/53/36/79/766533679.db2.gz DVFXSEWPXKUBAA-QWHCGFSZSA-N 1 2 329.404 0.703 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCCC(=O)N1)O2 ZINC001053662246 766534833 /nfs/dbraw/zinc/53/48/33/766534833.db2.gz HATHAWKEZUGLHZ-CABCVRRESA-N 1 2 335.448 0.971 20 30 ECEDLO C=CCOc1cccnc1C(=O)NC[C@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001053687304 766590846 /nfs/dbraw/zinc/59/08/46/766590846.db2.gz NMWUMOJZRWZKHU-CQSZACIVSA-N 1 2 347.415 0.602 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cn([C@@H]3CCOC3)nn1)O2 ZINC001053688177 766593434 /nfs/dbraw/zinc/59/34/34/766593434.db2.gz LZDGJLYBHXTJBR-ZIAGYGMSSA-N 1 2 347.419 0.389 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCN(C(=O)CC)C1)O2 ZINC001053688366 766593457 /nfs/dbraw/zinc/59/34/57/766593457.db2.gz PIAOEXXJBCKAJO-LSDHHAIUSA-N 1 2 335.448 0.781 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2conc2CC)C[C@H]1OC ZINC001212258412 766606204 /nfs/dbraw/zinc/60/62/04/766606204.db2.gz SJWXULSUWZDQRE-APHBMKBZSA-N 1 2 335.404 0.591 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2conc2CC)C[C@H]1OC ZINC001212258412 766606210 /nfs/dbraw/zinc/60/62/10/766606210.db2.gz SJWXULSUWZDQRE-APHBMKBZSA-N 1 2 335.404 0.591 20 30 ECEDLO Cc1nc(NC[C@H](O)CNC(=O)C[C@H](C)n2cc[nH+]c2)ccc1C#N ZINC001106132190 766610160 /nfs/dbraw/zinc/61/01/60/766610160.db2.gz VHILGLXSFLJNSF-WFASDCNBSA-N 1 2 342.403 0.999 20 30 ECEDLO Cc1noc(C[N@H+]2CC[C@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)n1 ZINC001046012835 766641434 /nfs/dbraw/zinc/64/14/34/766641434.db2.gz QJYUNGPLMQVYRW-JSGCOSHPSA-N 1 2 332.408 0.256 20 30 ECEDLO Cc1noc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)n1 ZINC001046012835 766641438 /nfs/dbraw/zinc/64/14/38/766641438.db2.gz QJYUNGPLMQVYRW-JSGCOSHPSA-N 1 2 332.408 0.256 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2cnc(C)cn2)C[C@H]1OC ZINC001212262165 766685657 /nfs/dbraw/zinc/68/56/57/766685657.db2.gz FDPQLTHXMHIOIP-USXIJHARSA-N 1 2 346.431 0.701 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2cnc(C)cn2)C[C@H]1OC ZINC001212262165 766685660 /nfs/dbraw/zinc/68/56/60/766685660.db2.gz FDPQLTHXMHIOIP-USXIJHARSA-N 1 2 346.431 0.701 20 30 ECEDLO O=C(C#CC1CC1)N1CCN([C@@H]2CC[N@H+](Cc3ncccn3)C2)CC1 ZINC001046027848 766688817 /nfs/dbraw/zinc/68/88/17/766688817.db2.gz SJAYGYFASQFHME-QGZVFWFLSA-N 1 2 339.443 0.609 20 30 ECEDLO O=C(C#CC1CC1)N1CCN([C@@H]2CC[N@@H+](Cc3ncccn3)C2)CC1 ZINC001046027848 766688823 /nfs/dbraw/zinc/68/88/23/766688823.db2.gz SJAYGYFASQFHME-QGZVFWFLSA-N 1 2 339.443 0.609 20 30 ECEDLO C#CCNC(=O)CC(=O)NC[C@@H](C)N(CC)c1nc(C)[nH+]c(C)c1C ZINC001089622300 766693977 /nfs/dbraw/zinc/69/39/77/766693977.db2.gz IJRKPFUXNVTIII-GFCCVEGCSA-N 1 2 345.447 0.872 20 30 ECEDLO CC(C)Cc1nc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)c[nH]1 ZINC001046030267 766696780 /nfs/dbraw/zinc/69/67/80/766696780.db2.gz NBXNPZSYWHIUEN-OAHLLOKOSA-N 1 2 344.463 0.964 20 30 ECEDLO Cn1ncc(C2CC2)c1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046033383 766708910 /nfs/dbraw/zinc/70/89/10/766708910.db2.gz FGTWTMKOILVPDR-OAHLLOKOSA-N 1 2 342.447 0.653 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3ccn(C(F)F)n3)CC2)C1 ZINC001046033704 766709565 /nfs/dbraw/zinc/70/95/65/766709565.db2.gz ZEAKPFARMZPEKT-LBPRGKRZSA-N 1 2 338.362 0.634 20 30 ECEDLO Cc1nn(C)cc1CC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046036610 766728669 /nfs/dbraw/zinc/72/86/69/766728669.db2.gz MHIPEEWGDGPSCZ-INIZCTEOSA-N 1 2 330.436 0.013 20 30 ECEDLO COc1cc(C)cnc1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046036936 766729435 /nfs/dbraw/zinc/72/94/35/766729435.db2.gz PRVQHNGWQCXARW-HNNXBMFYSA-N 1 2 343.431 0.754 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)CCc3cccnc3)CC2)C1 ZINC001046041439 766752459 /nfs/dbraw/zinc/75/24/59/766752459.db2.gz JEVGVJHHUMABAY-KRWDZBQOSA-N 1 2 327.432 0.756 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C)[C@@H](O)C1 ZINC001083704375 766753864 /nfs/dbraw/zinc/75/38/64/766753864.db2.gz JMLXTAGQUWKFGC-KSYCFECVSA-N 1 2 329.400 0.884 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C)[C@@H](O)C1 ZINC001083704375 766753867 /nfs/dbraw/zinc/75/38/67/766753867.db2.gz JMLXTAGQUWKFGC-KSYCFECVSA-N 1 2 329.400 0.884 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3ccc4[nH]ccc4n3)CC2)C1 ZINC001046045356 766770399 /nfs/dbraw/zinc/77/03/99/766770399.db2.gz WXLXFOGZEZUHAH-CQSZACIVSA-N 1 2 338.415 0.919 20 30 ECEDLO Cc1noc(CCC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)n1 ZINC001046048786 766781278 /nfs/dbraw/zinc/78/12/78/766781278.db2.gz CMKAFKLMVYPREI-AWEZNQCLSA-N 1 2 332.408 0.053 20 30 ECEDLO CCCc1cc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)[nH]n1 ZINC001046049984 766786055 /nfs/dbraw/zinc/78/60/55/766786055.db2.gz BKKLGEZMLHPKID-OAHLLOKOSA-N 1 2 330.436 0.718 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cnc4n3CCCC4)CC2)C1 ZINC001046055659 766805344 /nfs/dbraw/zinc/80/53/44/766805344.db2.gz HMIRSLZKVCCCDE-HNNXBMFYSA-N 1 2 342.447 0.575 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cc(C(F)F)n[nH]3)CC2)C1 ZINC001046060823 766827972 /nfs/dbraw/zinc/82/79/72/766827972.db2.gz DOQMATUWFNIVKN-LLVKDONJSA-N 1 2 338.362 0.703 20 30 ECEDLO CC(C)(C)n1cnc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)n1 ZINC001046064813 766846198 /nfs/dbraw/zinc/84/61/98/766846198.db2.gz VIHQTRVBCORUBW-CQSZACIVSA-N 1 2 345.451 0.389 20 30 ECEDLO Cn1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)nn1 ZINC001042001463 782582394 /nfs/dbraw/zinc/58/23/94/782582394.db2.gz YQVIAPSFAYQVPP-CJNGLKHVSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1cc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)nn1 ZINC001042001463 782582403 /nfs/dbraw/zinc/58/24/03/782582403.db2.gz YQVIAPSFAYQVPP-CJNGLKHVSA-N 1 2 339.403 0.751 20 30 ECEDLO Cc1ncc(Cl)c(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)n1 ZINC001046068022 766861251 /nfs/dbraw/zinc/86/12/51/766861251.db2.gz ASURMUBZIRIRNI-CYBMUJFWSA-N 1 2 348.838 0.794 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046069224 766867365 /nfs/dbraw/zinc/86/73/65/766867365.db2.gz DCPTWFBTKLXMDV-IKGGRYGDSA-N 1 2 332.448 0.710 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnn(CCOC)c1C)CO2 ZINC001053800184 766881393 /nfs/dbraw/zinc/88/13/93/766881393.db2.gz KRCCXOZABVNTMN-OAHLLOKOSA-N 1 2 346.431 0.434 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cc4ncccn4n3)CC2)C1 ZINC001046073225 766886837 /nfs/dbraw/zinc/88/68/37/766886837.db2.gz YOLCGSJVAKQDPX-AWEZNQCLSA-N 1 2 339.403 0.085 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1[nH]nc3c1CCCC3)CO2 ZINC001053802987 766889390 /nfs/dbraw/zinc/88/93/90/766889390.db2.gz IAFNXAPKVPJCGG-AWEZNQCLSA-N 1 2 342.443 0.814 20 30 ECEDLO CCc1cc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)n(C)n1 ZINC001046074307 766889700 /nfs/dbraw/zinc/88/97/00/766889700.db2.gz XSPRTMUXVNSZDA-OAHLLOKOSA-N 1 2 330.436 0.338 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000994842330 766928388 /nfs/dbraw/zinc/92/83/88/766928388.db2.gz MXQLDDMSKCUFQB-CABCVRRESA-N 1 2 346.431 0.845 20 30 ECEDLO CC[C@@H](C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1)N1CCCC1=O ZINC001046087102 766929286 /nfs/dbraw/zinc/92/92/86/766929286.db2.gz UDSIOKNWVQROAV-HOTGVXAUSA-N 1 2 347.463 0.129 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c(C3CC3)cnn1C)CO2 ZINC001053825316 766948770 /nfs/dbraw/zinc/94/87/70/766948770.db2.gz ONXNYZRPKNGLHT-CQSZACIVSA-N 1 2 328.416 0.894 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc3[nH]c(=O)[nH]c3c1)CO2 ZINC001053853395 767026922 /nfs/dbraw/zinc/02/69/22/767026922.db2.gz DXZHDDTUJQUFJO-LBPRGKRZSA-N 1 2 343.387 0.813 20 30 ECEDLO Cc1cnn(C)c1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001083709044 767034875 /nfs/dbraw/zinc/03/48/75/767034875.db2.gz WVFJLXPJEIIYBK-KGLIPLIRSA-N 1 2 345.428 0.637 20 30 ECEDLO Cc1cnn(C)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001083709044 767034884 /nfs/dbraw/zinc/03/48/84/767034884.db2.gz WVFJLXPJEIIYBK-KGLIPLIRSA-N 1 2 345.428 0.637 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(OC)nc(OC)c1)CO2 ZINC001053858233 767046358 /nfs/dbraw/zinc/04/63/58/767046358.db2.gz BTBZFGVMVJUUGX-CQSZACIVSA-N 1 2 345.399 0.695 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCN(C(C)=O)C1)CO2 ZINC001053864899 767068797 /nfs/dbraw/zinc/06/87/97/767068797.db2.gz MHWXILVHPOYBFJ-HOTGVXAUSA-N 1 2 335.448 0.781 20 30 ECEDLO Cn1ncc(C[N@@H+]2CC[C@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@H]32)n1 ZINC001042016540 782602947 /nfs/dbraw/zinc/60/29/47/782602947.db2.gz QOWQELKDUPLRBF-BLLLJJGKSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1ncc(C[N@H+]2CC[C@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@H]32)n1 ZINC001042016540 782602953 /nfs/dbraw/zinc/60/29/53/782602953.db2.gz QOWQELKDUPLRBF-BLLLJJGKSA-N 1 2 339.403 0.751 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc3n(n1)CCCO3)CO2 ZINC001053867763 767079147 /nfs/dbraw/zinc/07/91/47/767079147.db2.gz RQWRNXWDAVWVRY-CYBMUJFWSA-N 1 2 330.388 0.262 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C(F)F)n(C)n1)CO2 ZINC001053871833 767093760 /nfs/dbraw/zinc/09/37/60/767093760.db2.gz NIIKLGWNXSEYRT-NSHDSACASA-N 1 2 338.358 0.954 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)Cc2ccncc2C)[C@H](OC)C1 ZINC001212281822 767122331 /nfs/dbraw/zinc/12/23/31/767122331.db2.gz CCHTULBATYZZOF-HZPDHXFCSA-N 1 2 346.431 0.050 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)Cc2ccncc2C)[C@H](OC)C1 ZINC001212281822 767122332 /nfs/dbraw/zinc/12/23/32/767122332.db2.gz CCHTULBATYZZOF-HZPDHXFCSA-N 1 2 346.431 0.050 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2COC(=O)N2)C1 ZINC001046287023 767128414 /nfs/dbraw/zinc/12/84/14/767128414.db2.gz HRNUVQAZNMOEJP-SKDRFNHKSA-N 1 2 332.198 0.584 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2COC(=O)N2)C1 ZINC001046287023 767128417 /nfs/dbraw/zinc/12/84/17/767128417.db2.gz HRNUVQAZNMOEJP-SKDRFNHKSA-N 1 2 332.198 0.584 20 30 ECEDLO CCN(c1nc(C)cc(C#N)n1)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001089754428 767146863 /nfs/dbraw/zinc/14/68/63/767146863.db2.gz JXJIOIRSWQWRQO-GFCCVEGCSA-N 1 2 327.392 0.954 20 30 ECEDLO C#CCN1CC2(C1)C[C@H](NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1)CO2 ZINC001053882057 767158194 /nfs/dbraw/zinc/15/81/94/767158194.db2.gz RZXAAYBTWSPLRI-DLBZAZTESA-N 1 2 347.459 0.080 20 30 ECEDLO C#CCN1CC2(C1)C[C@H](NC(=O)[C@H]1COCC[N@H+]1CC1CCC1)CO2 ZINC001053882057 767158196 /nfs/dbraw/zinc/15/81/96/767158196.db2.gz RZXAAYBTWSPLRI-DLBZAZTESA-N 1 2 347.459 0.080 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@]1(C)CC[N@H+](CCS(C)(=O)=O)C1 ZINC001046374411 767178809 /nfs/dbraw/zinc/17/88/09/767178809.db2.gz OWAXEKKQDOFBCM-INIZCTEOSA-N 1 2 339.461 0.913 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@]1(C)CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001046374411 767178811 /nfs/dbraw/zinc/17/88/11/767178811.db2.gz OWAXEKKQDOFBCM-INIZCTEOSA-N 1 2 339.461 0.913 20 30 ECEDLO Cn1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)nn1 ZINC001042020743 782614095 /nfs/dbraw/zinc/61/40/95/782614095.db2.gz XGYQSAZBEVHFQP-MLGOLLRUSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1cc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)nn1 ZINC001042020743 782614099 /nfs/dbraw/zinc/61/40/99/782614099.db2.gz XGYQSAZBEVHFQP-MLGOLLRUSA-N 1 2 339.403 0.751 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1nnc3c1CCCC3)CO2 ZINC001053924364 767372436 /nfs/dbraw/zinc/37/24/36/767372436.db2.gz RIXUSELXWHTHFN-CQSZACIVSA-N 1 2 343.431 0.140 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)NC[C@@H](O)CNc2ccc(C#N)nn2)c[nH+]1 ZINC001106159406 767410132 /nfs/dbraw/zinc/41/01/32/767410132.db2.gz HRTLMHWJMXBWDR-ZDUSSCGKSA-N 1 2 343.391 0.178 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1c(C)nn(C)c1OC)CO2 ZINC001053944894 767419169 /nfs/dbraw/zinc/41/91/69/767419169.db2.gz KCPFXVTWNIYJLX-ZDUSSCGKSA-N 1 2 334.420 0.886 20 30 ECEDLO C=CCN1CC2(C1)C[C@H](NC(=O)C1([NH+]3CCOCC3)CCCC1)CO2 ZINC001053945322 767420656 /nfs/dbraw/zinc/42/06/56/767420656.db2.gz SRACKVQSSXNTGS-INIZCTEOSA-N 1 2 349.475 0.777 20 30 ECEDLO Cc1nsc(NC[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1C#N ZINC001106157735 767421904 /nfs/dbraw/zinc/42/19/04/767421904.db2.gz JMQFDMYMPQVCFT-HBNTYKKESA-N 1 2 346.416 0.739 20 30 ECEDLO Cc1nsc(NC[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1C#N ZINC001106157735 767421908 /nfs/dbraw/zinc/42/19/08/767421908.db2.gz JMQFDMYMPQVCFT-HBNTYKKESA-N 1 2 346.416 0.739 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060462414 767429184 /nfs/dbraw/zinc/42/91/84/767429184.db2.gz BZHYFUYNTYATJU-KBPBESRZSA-N 1 2 332.404 0.345 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc(C3CC3)nc1)CO2 ZINC001053948938 767430902 /nfs/dbraw/zinc/43/09/02/767430902.db2.gz VFLOPFXJMRKEMO-OAHLLOKOSA-N 1 2 326.400 0.950 20 30 ECEDLO Cc1cccn2cc(CC(=O)N[C@@H]3COC4(CN(CC#N)C4)C3)[nH+]c12 ZINC001053956615 767447960 /nfs/dbraw/zinc/44/79/60/767447960.db2.gz KVSVXLMWNJSXPA-HNNXBMFYSA-N 1 2 339.399 0.668 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)NC[C@@H](O)CNc1ncccc1C#N ZINC001106172323 767472217 /nfs/dbraw/zinc/47/22/17/767472217.db2.gz YMYSIKHPFPBJAM-CQSZACIVSA-N 1 2 341.371 0.489 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCN(C(=O)CC)C1)CO2 ZINC001053976567 767508096 /nfs/dbraw/zinc/50/80/96/767508096.db2.gz VZDWXJGHTKACGG-CABCVRRESA-N 1 2 333.432 0.228 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnn(CC3CC3)c1)CO2 ZINC001053977028 767510095 /nfs/dbraw/zinc/51/00/95/767510095.db2.gz MUFWGBKMJPRSQW-INIZCTEOSA-N 1 2 328.416 0.890 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1COC2(C[NH+](CCOC)C2)C1 ZINC001053976935 767510296 /nfs/dbraw/zinc/51/02/96/767510296.db2.gz KHIKCKVXSCTUHN-CQSZACIVSA-N 1 2 347.415 0.866 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1CCN(C(C)=O)CC1)CO2 ZINC001054004021 767570841 /nfs/dbraw/zinc/57/08/41/767570841.db2.gz FNUNIPKXXLBMPT-INIZCTEOSA-N 1 2 333.432 0.228 20 30 ECEDLO Cn1ncnc1C[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001017107204 767597248 /nfs/dbraw/zinc/59/72/48/767597248.db2.gz QOOKPOXFKZHMNB-ZDUSSCGKSA-N 1 2 341.419 0.999 20 30 ECEDLO Cn1ncnc1C[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001017107204 767597251 /nfs/dbraw/zinc/59/72/51/767597251.db2.gz QOOKPOXFKZHMNB-ZDUSSCGKSA-N 1 2 341.419 0.999 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C1CC1)N1CCOCC1)CO2 ZINC001054013704 767598861 /nfs/dbraw/zinc/59/88/61/767598861.db2.gz ZHHFJPCYYGRJHY-IAGOWNOFSA-N 1 2 349.475 0.633 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc2nnnn2c1 ZINC001054046235 767645646 /nfs/dbraw/zinc/64/56/46/767645646.db2.gz HFVZBXJAJGWFLP-QGZVFWFLSA-N 1 2 346.394 0.914 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc2nnnn2c1 ZINC001054046235 767645651 /nfs/dbraw/zinc/64/56/51/767645651.db2.gz HFVZBXJAJGWFLP-QGZVFWFLSA-N 1 2 346.394 0.914 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2csc(C#N)c2)[C@H](C)C1 ZINC000914395049 767645734 /nfs/dbraw/zinc/64/57/34/767645734.db2.gz AFAMMUPXCXYDSG-NEPJUHHUSA-N 1 2 343.474 0.836 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2csc(C#N)c2)[C@H](C)C1 ZINC000914395049 767645741 /nfs/dbraw/zinc/64/57/41/767645741.db2.gz AFAMMUPXCXYDSG-NEPJUHHUSA-N 1 2 343.474 0.836 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCN(C)C1=O ZINC001054049516 767648651 /nfs/dbraw/zinc/64/86/51/767648651.db2.gz AOISMTOBPUQXMT-IRXDYDNUSA-N 1 2 325.412 0.641 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCN(C)C1=O ZINC001054049516 767648655 /nfs/dbraw/zinc/64/86/55/767648655.db2.gz AOISMTOBPUQXMT-IRXDYDNUSA-N 1 2 325.412 0.641 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc(C(N)=O)cn1 ZINC001054062017 767659626 /nfs/dbraw/zinc/65/96/26/767659626.db2.gz XHFAANWFNQOPHB-QGZVFWFLSA-N 1 2 348.406 0.970 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc(C(N)=O)cn1 ZINC001054062017 767659629 /nfs/dbraw/zinc/65/96/29/767659629.db2.gz XHFAANWFNQOPHB-QGZVFWFLSA-N 1 2 348.406 0.970 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC000992841617 767675988 /nfs/dbraw/zinc/67/59/88/767675988.db2.gz VBKQSKNCBVHUPN-GDZNZVCISA-N 1 2 329.404 0.809 20 30 ECEDLO CN(CCOCCNc1ccc(C#N)cn1)C(=O)Cc1c[nH+]cn1C ZINC001127346600 768372147 /nfs/dbraw/zinc/37/21/47/768372147.db2.gz DLTVLFAIQXXMHU-UHFFFAOYSA-N 1 2 342.403 0.816 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1 ZINC001055074866 768556665 /nfs/dbraw/zinc/55/66/65/768556665.db2.gz MDNPJZHCGJIZPG-XBFCOCLRSA-N 1 2 337.387 0.848 20 30 ECEDLO N#CCSCC(=O)N1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001055182802 768638736 /nfs/dbraw/zinc/63/87/36/768638736.db2.gz JDTCCBSJZWTAGE-OKILXGFUSA-N 1 2 347.444 0.447 20 30 ECEDLO N#Cc1nccc(N[C@@H]2CC[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)n1 ZINC001060540620 768643967 /nfs/dbraw/zinc/64/39/67/768643967.db2.gz BDXJZOHGUWIQOP-YNEHKIRRSA-N 1 2 337.387 0.385 20 30 ECEDLO C[C@@H]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001018086404 768702599 /nfs/dbraw/zinc/70/25/99/768702599.db2.gz FYLJMQUFBCXNDJ-YPMHNXCESA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@@]12CN(C(=O)C#CC3CC3)C[C@@H]1CN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC000993326088 768768827 /nfs/dbraw/zinc/76/88/27/768768827.db2.gz OZUDNIMGGZKGHM-KDOFPFPSSA-N 1 2 326.400 0.673 20 30 ECEDLO C=CCCCC(=O)NC1CC[NH+](CCNC(=O)c2cn[nH]n2)CC1 ZINC001055597755 769221041 /nfs/dbraw/zinc/22/10/41/769221041.db2.gz DDONCCQNSXXRPF-UHFFFAOYSA-N 1 2 334.424 0.471 20 30 ECEDLO C=CCCCC(=O)NC1CC[NH+](CCNC(=O)c2cnn[nH]2)CC1 ZINC001055597755 769221044 /nfs/dbraw/zinc/22/10/44/769221044.db2.gz DDONCCQNSXXRPF-UHFFFAOYSA-N 1 2 334.424 0.471 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccnnc3)C2)CC1 ZINC001018371764 769230645 /nfs/dbraw/zinc/23/06/45/769230645.db2.gz IREHBLXGTXKZLW-MRXNPFEDSA-N 1 2 343.431 0.659 20 30 ECEDLO C=C1CC(C)(C(=O)NCC[NH+]2CCC(NC(=O)c3ncn[nH]3)CC2)C1 ZINC001055639515 769323989 /nfs/dbraw/zinc/32/39/89/769323989.db2.gz PJFBCQBHTAJVFQ-UHFFFAOYSA-N 1 2 346.435 0.471 20 30 ECEDLO C=C1CC(C)(C(=O)NCC[NH+]2CCC(NC(=O)c3nc[nH]n3)CC2)C1 ZINC001055639515 769323997 /nfs/dbraw/zinc/32/39/97/769323997.db2.gz PJFBCQBHTAJVFQ-UHFFFAOYSA-N 1 2 346.435 0.471 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2nc(C(F)F)no2)C1 ZINC001078358129 782767324 /nfs/dbraw/zinc/76/73/24/782767324.db2.gz KECIRPSMDBOHKD-VHSXEESVSA-N 1 2 343.334 0.874 20 30 ECEDLO CO[C@@H](C)c1noc(C[NH2+][C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001018731388 769820331 /nfs/dbraw/zinc/82/03/31/769820331.db2.gz VYLMKCQJMXYJPN-JQWIXIFHSA-N 1 2 344.375 0.981 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H]1C ZINC000993970061 769985665 /nfs/dbraw/zinc/98/56/65/769985665.db2.gz GSLPJCPCULNGER-PWSUYJOCSA-N 1 2 327.812 0.761 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H]1C ZINC000993970061 769985672 /nfs/dbraw/zinc/98/56/72/769985672.db2.gz GSLPJCPCULNGER-PWSUYJOCSA-N 1 2 327.812 0.761 20 30 ECEDLO C#CCCCCC(=O)N[C@]1(CO)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001055895564 770126220 /nfs/dbraw/zinc/12/62/20/770126220.db2.gz WIETUMGVORMOML-GOSISDBHSA-N 1 2 346.431 0.616 20 30 ECEDLO C#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001055910412 770179451 /nfs/dbraw/zinc/17/94/51/770179451.db2.gz OARUETWJVQLPGA-QGZVFWFLSA-N 1 2 332.404 0.225 20 30 ECEDLO C=CCn1cccc1C(=O)NC1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000994197999 770289006 /nfs/dbraw/zinc/28/90/06/770289006.db2.gz MSNAEHKXQKRCAN-UHFFFAOYSA-N 1 2 327.388 0.591 20 30 ECEDLO O=C(C#CC1CC1)N[C@]1(CO)CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001055938727 770290991 /nfs/dbraw/zinc/29/09/91/770290991.db2.gz LDVFZBHAMCZYDI-GOSISDBHSA-N 1 2 344.415 0.225 20 30 ECEDLO N#Cc1ccc(N2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)nn1 ZINC001055940319 770298815 /nfs/dbraw/zinc/29/88/15/770298815.db2.gz IARKCNAOXHSVCI-ZDUSSCGKSA-N 1 2 337.387 0.456 20 30 ECEDLO CC(C)(C)C#CC(=O)N[C@@]1(CO)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001055940513 770300407 /nfs/dbraw/zinc/30/04/07/770300407.db2.gz NCICGBRDAZOEGP-SFHVURJKSA-N 1 2 346.431 0.471 20 30 ECEDLO C=CC(C)(C)CC(=O)N[C@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001055961218 770378500 /nfs/dbraw/zinc/37/85/00/770378500.db2.gz KPEAKLJGJBMZRQ-GOSISDBHSA-N 1 2 348.447 0.955 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CCC[N@H+](CC(N)=O)[C@H]1C ZINC000994245170 770403603 /nfs/dbraw/zinc/40/36/03/770403603.db2.gz XCANCHGIHJHOQB-JSGCOSHPSA-N 1 2 330.388 0.162 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)[C@H]1C ZINC000994245170 770403608 /nfs/dbraw/zinc/40/36/08/770403608.db2.gz XCANCHGIHJHOQB-JSGCOSHPSA-N 1 2 330.388 0.162 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@](CO)(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001055997093 770495027 /nfs/dbraw/zinc/49/50/27/770495027.db2.gz SJKGCYGYCRDRSE-PBHICJAKSA-N 1 2 347.419 0.293 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H]1C ZINC000994300059 770597142 /nfs/dbraw/zinc/59/71/42/770597142.db2.gz ZAIDDUYTEXKYGS-DGCLKSJQSA-N 1 2 341.843 0.612 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H]1C ZINC000994300059 770597148 /nfs/dbraw/zinc/59/71/48/770597148.db2.gz ZAIDDUYTEXKYGS-DGCLKSJQSA-N 1 2 341.843 0.612 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001019057694 770682851 /nfs/dbraw/zinc/68/28/51/770682851.db2.gz BLHXFHZQHFZLPO-QWHCGFSZSA-N 1 2 329.404 0.809 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001019057694 770682856 /nfs/dbraw/zinc/68/28/56/770682856.db2.gz BLHXFHZQHFZLPO-QWHCGFSZSA-N 1 2 329.404 0.809 20 30 ECEDLO CC#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001056084716 770793393 /nfs/dbraw/zinc/79/33/93/770793393.db2.gz XYJIKBCKWFOIQJ-GOSISDBHSA-N 1 2 346.431 0.616 20 30 ECEDLO O=C(C#CC1CC1)N1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001019120989 770853053 /nfs/dbraw/zinc/85/30/53/770853053.db2.gz YUKUZFNDOHWNJM-UHFFFAOYSA-N 1 2 326.400 0.817 20 30 ECEDLO O=C(C#CC1CC1)N1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001019120989 770853061 /nfs/dbraw/zinc/85/30/61/770853061.db2.gz YUKUZFNDOHWNJM-UHFFFAOYSA-N 1 2 326.400 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C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)c2ncc[nH]2)[C@H](OC)C1 ZINC001212231008 771091002 /nfs/dbraw/zinc/09/10/02/771091002.db2.gz HVYXJFSHVHPQGP-ZIAGYGMSSA-N 1 2 347.419 0.039 20 30 ECEDLO N#Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCn3c[nH+]cc3C2)nc1 ZINC001056326973 771130432 /nfs/dbraw/zinc/13/04/32/771130432.db2.gz MITZVEIOIWAYBF-KMANFZQXSA-N 1 2 348.410 0.963 20 30 ECEDLO N#Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cccc3[nH+]ccn32)nn1 ZINC001056344242 771151311 /nfs/dbraw/zinc/15/13/11/771151311.db2.gz FFPHZRPWWVQOIZ-LAQFHYBYSA-N 1 2 345.366 0.861 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC001056370967 771190805 /nfs/dbraw/zinc/19/08/05/771190805.db2.gz QPEKKWRKFJRVSZ-VKJFTORMSA-N 1 2 346.431 0.802 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001019364949 771208600 /nfs/dbraw/zinc/20/86/00/771208600.db2.gz PPYFUDLZWXQYOL-JHJVBQTASA-N 1 2 327.388 0.734 20 30 ECEDLO 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Cc1[nH+]c[nH]c1CC(=O)N(CCO)CCNC(=O)C#CC(C)(C)C ZINC001058263749 773875618 /nfs/dbraw/zinc/87/56/18/773875618.db2.gz YLURSFVDCBTPHN-UHFFFAOYSA-N 1 2 334.420 0.247 20 30 ECEDLO C=C[C@H](CC)CC(=O)NC[C@]1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040629350 783133833 /nfs/dbraw/zinc/13/38/33/783133833.db2.gz JIJAOXGMOGZIND-CXAGYDPISA-N 1 2 334.420 0.634 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NC[C@]1(O)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001040629831 783134681 /nfs/dbraw/zinc/13/46/81/783134681.db2.gz NPYJFUGDRQKDJV-MAUKXSAKSA-N 1 2 348.447 0.955 20 30 ECEDLO C=CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001058623361 774560754 /nfs/dbraw/zinc/56/07/54/774560754.db2.gz PRGZDJWWLJUODH-HNNXBMFYSA-N 1 2 348.447 0.739 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001045064390 774920923 /nfs/dbraw/zinc/92/09/23/774920923.db2.gz QVYFCKPXEFPDNI-BFHYXJOUSA-N 1 2 346.431 0.805 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001045064390 774920928 /nfs/dbraw/zinc/92/09/28/774920928.db2.gz QVYFCKPXEFPDNI-BFHYXJOUSA-N 1 2 346.431 0.805 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001045068536 774927439 /nfs/dbraw/zinc/92/74/39/774927439.db2.gz GXKREUCCBDJVEU-AWEZNQCLSA-N 1 2 348.447 0.645 20 30 ECEDLO C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001045281639 775312253 /nfs/dbraw/zinc/31/22/53/775312253.db2.gz NOMQRFKCEFOVKI-UHFFFAOYSA-N 1 2 332.404 0.410 20 30 ECEDLO N#Cc1cnc(N2C[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)c(Cl)c1 ZINC001044024309 775540266 /nfs/dbraw/zinc/54/02/66/775540266.db2.gz HIUYTUDYCZOHRG-OLZOCXBDSA-N 1 2 346.778 0.169 20 30 ECEDLO C#Cc1cncc(C(=O)NC2(C)CC[NH+](Cc3cn(C)nn3)CC2)c1 ZINC001045552075 775781138 /nfs/dbraw/zinc/78/11/38/775781138.db2.gz SLOICFLVBFRXJT-UHFFFAOYSA-N 1 2 338.415 0.976 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001044409371 776283287 /nfs/dbraw/zinc/28/32/87/776283287.db2.gz DNYMLLAUNVVWNP-UHFFFAOYSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001044409371 776283294 /nfs/dbraw/zinc/28/32/94/776283294.db2.gz DNYMLLAUNVVWNP-UHFFFAOYSA-N 1 2 334.420 0.634 20 30 ECEDLO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001044478227 776339909 /nfs/dbraw/zinc/33/99/09/776339909.db2.gz CIIMJXITFNFREN-GFCCVEGCSA-N 1 2 334.420 0.490 20 30 ECEDLO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001044478227 776339918 /nfs/dbraw/zinc/33/99/18/776339918.db2.gz CIIMJXITFNFREN-GFCCVEGCSA-N 1 2 334.420 0.490 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001044673502 776617743 /nfs/dbraw/zinc/61/77/43/776617743.db2.gz OZWTYJCBOJPGSF-AWEZNQCLSA-N 1 2 348.447 0.645 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C1CS(=O)(=O)C1 ZINC001079756604 776815228 /nfs/dbraw/zinc/81/52/28/776815228.db2.gz RLXHEKAPLYTINS-MLGOLLRUSA-N 1 2 347.440 0.539 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C1CS(=O)(=O)C1 ZINC001079756604 776815237 /nfs/dbraw/zinc/81/52/37/776815237.db2.gz RLXHEKAPLYTINS-MLGOLLRUSA-N 1 2 347.440 0.539 20 30 ECEDLO C#CCOCCC(=O)N(CC)C1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001079772365 776838876 /nfs/dbraw/zinc/83/88/76/776838876.db2.gz QAUISEAYJNKELD-UHFFFAOYSA-N 1 2 346.431 0.787 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cnc(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001070064287 790486993 /nfs/dbraw/zinc/48/69/93/790486993.db2.gz KAJVNIAPWSATRB-CABCVRRESA-N 1 2 327.392 0.526 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnc(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001070064287 790487001 /nfs/dbraw/zinc/48/70/01/790487001.db2.gz KAJVNIAPWSATRB-CABCVRRESA-N 1 2 327.392 0.526 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001079796851 776886618 /nfs/dbraw/zinc/88/66/18/776886618.db2.gz QKEQGYCIAATMOW-MRVWCRGKSA-N 1 2 343.855 0.670 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001079796851 776886625 /nfs/dbraw/zinc/88/66/25/776886625.db2.gz QKEQGYCIAATMOW-MRVWCRGKSA-N 1 2 343.855 0.670 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001079852475 776979982 /nfs/dbraw/zinc/97/99/82/776979982.db2.gz KMZZWMMEGHHKNY-UGSOOPFHSA-N 1 2 348.447 0.975 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001079852475 776979988 /nfs/dbraw/zinc/97/99/88/776979988.db2.gz KMZZWMMEGHHKNY-UGSOOPFHSA-N 1 2 348.447 0.975 20 30 ECEDLO CCN(C(=O)CCc1c[nH]c[nH+]1)C1CN(C(=O)CSCC#N)C1 ZINC001079962866 777157721 /nfs/dbraw/zinc/15/77/21/777157721.db2.gz FFBIWWZTFMMKAY-UHFFFAOYSA-N 1 2 335.433 0.658 20 30 ECEDLO CCN(C(=O)CCc1c[nH+]c[nH]1)C1CN(C(=O)CSCC#N)C1 ZINC001079962866 777157723 /nfs/dbraw/zinc/15/77/23/777157723.db2.gz FFBIWWZTFMMKAY-UHFFFAOYSA-N 1 2 335.433 0.658 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(CC)on2)[C@@H](n2ccnn2)C1 ZINC001070078584 790529678 /nfs/dbraw/zinc/52/96/78/790529678.db2.gz GSZPVNOOQRKBNO-CABCVRRESA-N 1 2 328.376 0.507 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(CC)on2)[C@@H](n2ccnn2)C1 ZINC001070078584 790529688 /nfs/dbraw/zinc/52/96/88/790529688.db2.gz GSZPVNOOQRKBNO-CABCVRRESA-N 1 2 328.376 0.507 20 30 ECEDLO C#CCOCCC(=O)N1CC(N(CC)C(=O)Cc2c[nH+]cn2C)C1 ZINC001080142703 777457071 /nfs/dbraw/zinc/45/70/71/777457071.db2.gz FJHZRQJKBOXSCO-UHFFFAOYSA-N 1 2 332.404 0.062 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2c[nH]c3ccccc23)[C@@H](n2ccnn2)C1 ZINC001070082479 790541139 /nfs/dbraw/zinc/54/11/39/790541139.db2.gz NVJIYMPNEBWZPE-MSOLQXFVSA-N 1 2 348.410 0.977 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH]c3ccccc23)[C@@H](n2ccnn2)C1 ZINC001070082479 790541148 /nfs/dbraw/zinc/54/11/48/790541148.db2.gz NVJIYMPNEBWZPE-MSOLQXFVSA-N 1 2 348.410 0.977 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001080198723 777542272 /nfs/dbraw/zinc/54/22/72/777542272.db2.gz VFNDIGXDIVDZOE-QGZVFWFLSA-N 1 2 334.420 0.647 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001080281261 777642384 /nfs/dbraw/zinc/64/23/84/777642384.db2.gz XDVBBQNICIKWLU-JLLWLGSASA-N 1 2 344.253 0.952 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001080281261 777642392 /nfs/dbraw/zinc/64/23/92/777642392.db2.gz XDVBBQNICIKWLU-JLLWLGSASA-N 1 2 344.253 0.952 20 30 ECEDLO C#CCCCC(=O)NC1(CNC(=O)CCc2[nH]cc[nH+]2)CCOCC1 ZINC001070091826 790572454 /nfs/dbraw/zinc/57/24/54/790572454.db2.gz FXDIEBLAOFYXKM-UHFFFAOYSA-N 1 2 346.431 0.927 20 30 ECEDLO C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001043206783 777958699 /nfs/dbraw/zinc/95/86/99/777958699.db2.gz DLKQLCXIJKWXNP-UHFFFAOYSA-N 1 2 348.447 0.955 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 ZINC001043225984 778002249 /nfs/dbraw/zinc/00/22/49/778002249.db2.gz KYPSTQFYATXAPY-CYBMUJFWSA-N 1 2 346.431 0.327 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1 ZINC001043225984 778002260 /nfs/dbraw/zinc/00/22/60/778002260.db2.gz KYPSTQFYATXAPY-CYBMUJFWSA-N 1 2 346.431 0.327 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccn(C)n3)C[C@H]2C)nn1 ZINC001080584837 778092113 /nfs/dbraw/zinc/09/21/13/778092113.db2.gz SCLQNITVOONLLX-UKRRQHHQSA-N 1 2 343.435 0.838 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccn(C)n3)C[C@H]2C)nn1 ZINC001080584837 778092121 /nfs/dbraw/zinc/09/21/21/778092121.db2.gz SCLQNITVOONLLX-UKRRQHHQSA-N 1 2 343.435 0.838 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)O2 ZINC001068568712 790593967 /nfs/dbraw/zinc/59/39/67/790593967.db2.gz XGQPKDANTDNUCI-OLZOCXBDSA-N 1 2 345.403 0.378 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccn2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070097237 790596829 /nfs/dbraw/zinc/59/68/29/790596829.db2.gz IOTKKMWTCXHOFZ-ZBFHGGJFSA-N 1 2 326.404 0.949 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccn2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070097237 790596839 /nfs/dbraw/zinc/59/68/39/790596839.db2.gz IOTKKMWTCXHOFZ-ZBFHGGJFSA-N 1 2 326.404 0.949 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001070098643 790599845 /nfs/dbraw/zinc/59/98/45/790599845.db2.gz KEOHVWCVQBXYAU-XHSDSOJGSA-N 1 2 331.420 0.460 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001070098643 790599855 /nfs/dbraw/zinc/59/98/55/790599855.db2.gz KEOHVWCVQBXYAU-XHSDSOJGSA-N 1 2 331.420 0.460 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001070102328 790614272 /nfs/dbraw/zinc/61/42/72/790614272.db2.gz CRPBIAJYTJWYRD-SJORKVTESA-N 1 2 338.415 0.969 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001070102328 790614280 /nfs/dbraw/zinc/61/42/80/790614280.db2.gz CRPBIAJYTJWYRD-SJORKVTESA-N 1 2 338.415 0.969 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(N(C)C)ccn2)[C@@H](n2ccnn2)C1 ZINC001070106032 790621858 /nfs/dbraw/zinc/62/18/58/790621858.db2.gz TZDXKVIMFDWVNV-CVEARBPZSA-N 1 2 339.403 0.028 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(N(C)C)ccn2)[C@@H](n2ccnn2)C1 ZINC001070106032 790621862 /nfs/dbraw/zinc/62/18/62/790621862.db2.gz TZDXKVIMFDWVNV-CVEARBPZSA-N 1 2 339.403 0.028 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001043526314 778470158 /nfs/dbraw/zinc/47/01/58/778470158.db2.gz VNQGBUAAWWAKDW-ZDUSSCGKSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001043526314 778470162 /nfs/dbraw/zinc/47/01/62/778470162.db2.gz VNQGBUAAWWAKDW-ZDUSSCGKSA-N 1 2 334.420 0.634 20 30 ECEDLO C=CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001043624783 778616476 /nfs/dbraw/zinc/61/64/76/778616476.db2.gz SQDQQJVXBAKSSE-CQSZACIVSA-N 1 2 346.431 0.491 20 30 ECEDLO C[C@H](C#N)C(=O)NC[C@H]1CCC2(CN(C(=O)CCn3cc[nH+]c3)C2)O1 ZINC001068621126 790733163 /nfs/dbraw/zinc/73/31/63/790733163.db2.gz WMJLRZDYVZRXFU-ZIAGYGMSSA-N 1 2 345.403 0.309 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001078533183 780095500 /nfs/dbraw/zinc/09/55/00/780095500.db2.gz FDYLPLLUWMZWEG-ZNMIVQPWSA-N 1 2 348.447 0.955 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2cscn2)[C@@H](n2ccnn2)C1 ZINC001070156978 790777785 /nfs/dbraw/zinc/77/77/85/790777785.db2.gz CZZVORJYOIOWPH-UHTWSYAYSA-N 1 2 331.405 0.436 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CCC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001078995819 780688151 /nfs/dbraw/zinc/68/81/51/780688151.db2.gz ZXVUFLPTVARRHX-JKSUJKDBSA-N 1 2 346.431 0.761 20 30 ECEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cncnc2)C1 ZINC001079133471 780795764 /nfs/dbraw/zinc/79/57/64/780795764.db2.gz ITHQQYSVQQSIJO-QZTJIDSGSA-N 1 2 336.395 0.797 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cncnc2)C1 ZINC001079133471 780795774 /nfs/dbraw/zinc/79/57/74/780795774.db2.gz ITHQQYSVQQSIJO-QZTJIDSGSA-N 1 2 336.395 0.797 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001042828031 780900881 /nfs/dbraw/zinc/90/08/81/780900881.db2.gz JEGRXFSHSGLDKJ-QWHCGFSZSA-N 1 2 334.420 0.490 20 30 ECEDLO CCn1nncc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001079593736 781296541 /nfs/dbraw/zinc/29/65/41/781296541.db2.gz BDQZCJWVHIQJET-IAQYHMDHSA-N 1 2 327.392 0.748 20 30 ECEDLO CCn1nncc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001079593736 781296545 /nfs/dbraw/zinc/29/65/45/781296545.db2.gz BDQZCJWVHIQJET-IAQYHMDHSA-N 1 2 327.392 0.748 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)s1 ZINC001077706564 781555146 /nfs/dbraw/zinc/55/51/46/781555146.db2.gz RHNBPKJUFJKCRO-YBUXEROVSA-N 1 2 347.440 0.849 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)s1 ZINC001077706564 781555153 /nfs/dbraw/zinc/55/51/53/781555153.db2.gz RHNBPKJUFJKCRO-YBUXEROVSA-N 1 2 347.440 0.849 20 30 ECEDLO CN(c1nccnc1C#N)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001068683237 790892339 /nfs/dbraw/zinc/89/23/39/790892339.db2.gz LISGNEAVJXRAQU-UHFFFAOYSA-N 1 2 325.376 0.672 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3cccs3)n[nH]2)C1 ZINC001077710483 781562401 /nfs/dbraw/zinc/56/24/01/781562401.db2.gz MMVQBWBOIKEXRA-ZIAGYGMSSA-N 1 2 330.413 0.936 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3cccs3)n[nH]2)C1 ZINC001077710483 781562407 /nfs/dbraw/zinc/56/24/07/781562407.db2.gz MMVQBWBOIKEXRA-ZIAGYGMSSA-N 1 2 330.413 0.936 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2conc2CC)C[C@H]1O ZINC001077821804 781758387 /nfs/dbraw/zinc/75/83/87/781758387.db2.gz HQLYQGKHZRRFDB-SVGFKBNWSA-N 1 2 349.431 0.880 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2conc2CC)C[C@H]1O ZINC001077821804 781758394 /nfs/dbraw/zinc/75/83/94/781758394.db2.gz HQLYQGKHZRRFDB-SVGFKBNWSA-N 1 2 349.431 0.880 20 30 ECEDLO C=C1CC(C)(C(=O)NC[C@]2(O)CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001040850241 783558366 /nfs/dbraw/zinc/55/83/66/783558366.db2.gz KJHFYGRLNHYMGR-GOSISDBHSA-N 1 2 346.431 0.778 20 30 ECEDLO CC#CCCCC(=O)NC1(CNC(=O)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001070207489 783657778 /nfs/dbraw/zinc/65/77/78/783657778.db2.gz YYRDRXFOCUXJDE-UHFFFAOYSA-N 1 2 346.431 0.927 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)c2cc(CC)n[nH]2)C1=O ZINC001038065342 783810101 /nfs/dbraw/zinc/81/01/01/783810101.db2.gz AHHLUJBMGKKLDR-DZGCQCFKSA-N 1 2 331.420 0.563 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)c2cc(CC)n[nH]2)C1=O ZINC001038065342 783810112 /nfs/dbraw/zinc/81/01/12/783810112.db2.gz AHHLUJBMGKKLDR-DZGCQCFKSA-N 1 2 331.420 0.563 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)c2cccc(C)n2)C1=O ZINC001038079920 783829483 /nfs/dbraw/zinc/82/94/83/783829483.db2.gz NKRLYKZNDIZSRN-ZBFHGGJFSA-N 1 2 328.416 0.981 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)c2cccc(C)n2)C1=O ZINC001038079920 783829492 /nfs/dbraw/zinc/82/94/92/783829492.db2.gz NKRLYKZNDIZSRN-ZBFHGGJFSA-N 1 2 328.416 0.981 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1cc(C)no1)C[C@H]2c1nnc(C)[nH]1 ZINC001070441428 784081059 /nfs/dbraw/zinc/08/10/59/784081059.db2.gz 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ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CN(C)c2ccccc2)CC1 ZINC001071022990 784447810 /nfs/dbraw/zinc/44/78/10/784447810.db2.gz KRPUMGKLAAZGGX-UHFFFAOYSA-N 1 2 344.459 0.959 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CN(C)c2ccccc2)CC1 ZINC001071022990 784447814 /nfs/dbraw/zinc/44/78/14/784447814.db2.gz KRPUMGKLAAZGGX-UHFFFAOYSA-N 1 2 344.459 0.959 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC23CCOCC3)CC1 ZINC001071027064 784457248 /nfs/dbraw/zinc/45/72/48/784457248.db2.gz YVUTWSIGYXMXDQ-HNNXBMFYSA-N 1 2 335.448 0.640 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC23CCOCC3)CC1 ZINC001071027064 784457249 /nfs/dbraw/zinc/45/72/49/784457249.db2.gz YVUTWSIGYXMXDQ-HNNXBMFYSA-N 1 2 335.448 0.640 20 30 ECEDLO Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2cncn2C)o1 ZINC001070630076 784461798 /nfs/dbraw/zinc/46/17/98/784461798.db2.gz BPWURBXTRODWRA-IACUBPJLSA-N 1 2 342.403 0.960 20 30 ECEDLO Cc1cc(CC(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)no1 ZINC001070631494 784463913 /nfs/dbraw/zinc/46/39/13/784463913.db2.gz BAMRJBYDYCJACD-ZIAGYGMSSA-N 1 2 328.376 0.367 20 30 ECEDLO Cc1cnccc1CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070647794 784492884 /nfs/dbraw/zinc/49/28/84/784492884.db2.gz DMILLAOYZLKKPO-HZPDHXFCSA-N 1 2 338.415 0.774 20 30 ECEDLO C[C@H](C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1)c1ccnn1C ZINC001070649003 784494736 /nfs/dbraw/zinc/49/47/36/784494736.db2.gz JAHJAODFNVKIQG-BFHYXJOUSA-N 1 2 341.419 0.365 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001071057596 784494889 /nfs/dbraw/zinc/49/48/89/784494889.db2.gz WYKKDAJSZRAFST-ZIAGYGMSSA-N 1 2 332.404 0.406 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001070667450 784524276 /nfs/dbraw/zinc/52/42/76/784524276.db2.gz GWZQRITZHQCTAD-DYVFJYSZSA-N 1 2 334.420 0.397 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC([C@@H]2OCC[C@H]2NCC#N)CC1 ZINC001071098456 784539833 /nfs/dbraw/zinc/53/98/33/784539833.db2.gz OHUMEGCQYRVQCG-WBVHZDCISA-N 1 2 331.420 0.472 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ZINC001071252980 784842319 /nfs/dbraw/zinc/84/23/19/784842319.db2.gz DFLPAICLUADFLL-CVEARBPZSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)C(=O)C1 ZINC001071252980 784842322 /nfs/dbraw/zinc/84/23/22/784842322.db2.gz DFLPAICLUADFLL-CVEARBPZSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3ncc[nH]3)C2)C(=O)C1 ZINC001071262798 784878197 /nfs/dbraw/zinc/87/81/97/784878197.db2.gz SYJMZJOPIGVQSI-CQSZACIVSA-N 1 2 329.404 0.182 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3ncc[nH]3)C2)C(=O)C1 ZINC001071262798 784878209 /nfs/dbraw/zinc/87/82/09/784878209.db2.gz SYJMZJOPIGVQSI-CQSZACIVSA-N 1 2 329.404 0.182 20 30 ECEDLO C#CCN1CCN([C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C(=O)C1 ZINC001071263831 784881563 /nfs/dbraw/zinc/88/15/63/784881563.db2.gz GUZRVQVAOGNWGF-HNNXBMFYSA-N 1 2 343.431 0.111 20 30 ECEDLO C=CCN1CCN([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C(=O)C1 ZINC001071271046 784902584 /nfs/dbraw/zinc/90/25/84/784902584.db2.gz UFFKWHDKEFNYRK-MRXNPFEDSA-N 1 2 345.447 0.594 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)C3(CF)CC3)C2)C(=O)C1 ZINC001071271959 784905604 /nfs/dbraw/zinc/90/56/04/784905604.db2.gz BXOOEHFDJSBVMK-OAHLLOKOSA-N 1 2 335.423 0.895 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)C3(CF)CC3)C2)C(=O)C1 ZINC001071271959 784905607 /nfs/dbraw/zinc/90/56/07/784905607.db2.gz BXOOEHFDJSBVMK-OAHLLOKOSA-N 1 2 335.423 0.895 20 30 ECEDLO C#CCN1CCN([C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C(=O)C1 ZINC001071277631 784924935 /nfs/dbraw/zinc/92/49/35/784924935.db2.gz ZYOMPXPJJOIXTI-HNNXBMFYSA-N 1 2 343.431 0.029 20 30 ECEDLO C=CCCC(=O)N[C@@H]1COC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001068754299 791076610 /nfs/dbraw/zinc/07/66/10/791076610.db2.gz ZGXVRCJBMVMIGS-ZDUSSCGKSA-N 1 2 332.404 0.795 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)CC[C@H]1C ZINC001071605981 785386414 /nfs/dbraw/zinc/38/64/14/785386414.db2.gz FCNHKPZLKYKYIQ-OCCSQVGLSA-N 1 2 326.462 0.966 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)CC[C@H]1C ZINC001071605981 785386424 /nfs/dbraw/zinc/38/64/24/785386424.db2.gz FCNHKPZLKYKYIQ-OCCSQVGLSA-N 1 2 326.462 0.966 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001071976403 785460641 /nfs/dbraw/zinc/46/06/41/785460641.db2.gz BOZAKYJRNPEPMR-CHWSQXEVSA-N 1 2 332.404 0.714 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(N)=O)C1 ZINC001071976403 785460647 /nfs/dbraw/zinc/46/06/47/785460647.db2.gz BOZAKYJRNPEPMR-CHWSQXEVSA-N 1 2 332.404 0.714 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=O)NC)C1 ZINC001071978031 785463407 /nfs/dbraw/zinc/46/34/07/785463407.db2.gz VFMIWHVBBJBWPX-KBPBESRZSA-N 1 2 346.431 0.975 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=O)NC)C1 ZINC001071978031 785463411 /nfs/dbraw/zinc/46/34/11/785463411.db2.gz VFMIWHVBBJBWPX-KBPBESRZSA-N 1 2 346.431 0.975 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001072038128 785561143 /nfs/dbraw/zinc/56/11/43/785561143.db2.gz ATUOVCKZQFDBBH-GOEBONIOSA-N 1 2 330.432 0.975 20 30 ECEDLO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001072050005 785572750 /nfs/dbraw/zinc/57/27/50/785572750.db2.gz XWEOTMIOVQNBMV-UKRRQHHQSA-N 1 2 328.416 0.729 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001072100086 785668615 /nfs/dbraw/zinc/66/86/15/785668615.db2.gz BZXWICUTRSVVRD-LSDHHAIUSA-N 1 2 346.431 0.356 20 30 ECEDLO C=CCCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001072336744 786042169 /nfs/dbraw/zinc/04/21/69/786042169.db2.gz NHCHBZPSGARKGZ-ZBFHGGJFSA-N 1 2 348.447 0.909 20 30 ECEDLO C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1NC(=O)CSCC#N ZINC001072429304 786170460 /nfs/dbraw/zinc/17/04/60/786170460.db2.gz DYNFQZXZAIDMTB-NWDGAFQWSA-N 1 2 349.460 0.907 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001072565394 786373546 /nfs/dbraw/zinc/37/35/46/786373546.db2.gz XBUCSYXUFJYZFB-UHFFFAOYSA-N 1 2 330.363 0.607 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC2(CN(C(=O)CC(N)=O)C2)C1 ZINC001072565394 786373553 /nfs/dbraw/zinc/37/35/53/786373553.db2.gz XBUCSYXUFJYZFB-UHFFFAOYSA-N 1 2 330.363 0.607 20 30 ECEDLO CC1(C)CN(C(=O)CSCC#N)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001073518065 786453484 /nfs/dbraw/zinc/45/34/84/786453484.db2.gz GQDVHCFFYIHBPS-ZDUSSCGKSA-N 1 2 349.460 0.952 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC001074264467 786541520 /nfs/dbraw/zinc/54/15/20/786541520.db2.gz XIJKUINMTZRKTN-DZGCQCFKSA-N 1 2 334.420 0.898 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@@H]21 ZINC001074273060 786560574 /nfs/dbraw/zinc/56/05/74/786560574.db2.gz DCDPWSYJYWYDIO-GJZGRUSLSA-N 1 2 344.415 0.325 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@@H]21 ZINC001074273060 786560577 /nfs/dbraw/zinc/56/05/77/786560577.db2.gz DCDPWSYJYWYDIO-GJZGRUSLSA-N 1 2 344.415 0.325 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N2CC[C@H]3OCCN(CC#N)[C@H]3C2)c[nH+]1 ZINC001074275938 786568498 /nfs/dbraw/zinc/56/84/98/786568498.db2.gz CVLPFDPXSGEZGV-LSDHHAIUSA-N 1 2 331.420 0.752 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C[C@H]21 ZINC001074301688 786629611 /nfs/dbraw/zinc/62/96/11/786629611.db2.gz FQWLZGPPHCMAJM-HUUCEWRRSA-N 1 2 332.404 0.272 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C[C@H]21 ZINC001074301688 786629616 /nfs/dbraw/zinc/62/96/16/786629616.db2.gz FQWLZGPPHCMAJM-HUUCEWRRSA-N 1 2 332.404 0.272 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3nnnc3C(C)C)C[C@H]21 ZINC001074354391 786739955 /nfs/dbraw/zinc/73/99/55/786739955.db2.gz POVKXOKXJVGTKS-CABCVRRESA-N 1 2 346.435 0.122 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3nnnc3C(C)C)C[C@H]21 ZINC001074354391 786739962 /nfs/dbraw/zinc/73/99/62/786739962.db2.gz POVKXOKXJVGTKS-CABCVRRESA-N 1 2 346.435 0.122 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3nc(C)ccc3=O)C[C@H]21 ZINC001074387402 786825402 /nfs/dbraw/zinc/82/54/02/786825402.db2.gz KFJAAOAHWQHEAB-CVEARBPZSA-N 1 2 346.431 0.430 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)Cn3nc(C)ccc3=O)C[C@H]21 ZINC001074387402 786825413 /nfs/dbraw/zinc/82/54/13/786825413.db2.gz KFJAAOAHWQHEAB-CVEARBPZSA-N 1 2 346.431 0.430 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnn(C)c3OC)C[C@H]21 ZINC001074393067 786836500 /nfs/dbraw/zinc/83/65/00/786836500.db2.gz VEDUFMDHQMORAN-CABCVRRESA-N 1 2 332.404 0.367 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnn(C)c3OC)C[C@H]21 ZINC001074393067 786836512 /nfs/dbraw/zinc/83/65/12/786836512.db2.gz VEDUFMDHQMORAN-CABCVRRESA-N 1 2 332.404 0.367 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CN3CCCCCC3=O)C[C@@H]21 ZINC001074397320 786849298 /nfs/dbraw/zinc/84/92/98/786849298.db2.gz GMIVKDQIRMCPDH-DLBZAZTESA-N 1 2 347.459 0.714 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CN3CCCCCC3=O)C[C@@H]21 ZINC001074397320 786849305 /nfs/dbraw/zinc/84/93/05/786849305.db2.gz GMIVKDQIRMCPDH-DLBZAZTESA-N 1 2 347.459 0.714 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3cn(C)nn3)C[C@@H]21 ZINC001074419448 786927411 /nfs/dbraw/zinc/92/74/11/786927411.db2.gz LUTGHMYIUWZUGF-JKSUJKDBSA-N 1 2 331.420 0.073 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3cn(C)nn3)C[C@@H]21 ZINC001074419448 786927417 /nfs/dbraw/zinc/92/74/17/786927417.db2.gz LUTGHMYIUWZUGF-JKSUJKDBSA-N 1 2 331.420 0.073 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001073819592 787262080 /nfs/dbraw/zinc/26/20/80/787262080.db2.gz GVQPDARWDPNRDD-JSGCOSHPSA-N 1 2 334.420 0.816 20 30 ECEDLO C#CCCCC(=O)NCC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001074632098 787453766 /nfs/dbraw/zinc/45/37/66/787453766.db2.gz UVFMDSHRJDCVPA-UHFFFAOYSA-N 1 2 332.404 0.156 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC(O)(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001074662491 787535158 /nfs/dbraw/zinc/53/51/58/787535158.db2.gz YDXXPBHZCXIEAP-UHFFFAOYSA-N 1 2 348.447 0.943 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001073963473 787594147 /nfs/dbraw/zinc/59/41/47/787594147.db2.gz SKDKYGWYLJLMIL-DZGCQCFKSA-N 1 2 332.404 0.345 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001074085455 787842874 /nfs/dbraw/zinc/84/28/74/787842874.db2.gz VAOIHAHXMHYVTJ-CABCVRRESA-N 1 2 334.420 0.829 20 30 ECEDLO C=CCOCCCC(=O)N[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001072603206 788409607 /nfs/dbraw/zinc/40/96/07/788409607.db2.gz OUJJRWFSCOGEMJ-KBPBESRZSA-N 1 2 334.420 0.898 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@@H+]1CCC2(CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001072635845 788476887 /nfs/dbraw/zinc/47/68/87/788476887.db2.gz XRFBRSIPAVMNPC-NSHDSACASA-N 1 2 340.391 0.319 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@H+]1CCC2(CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001072635845 788476892 /nfs/dbraw/zinc/47/68/92/788476892.db2.gz XRFBRSIPAVMNPC-NSHDSACASA-N 1 2 340.391 0.319 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001074892230 788499554 /nfs/dbraw/zinc/49/95/54/788499554.db2.gz PXOWPHSMESHBEF-OCCSQVGLSA-N 1 2 334.420 0.959 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001074965202 788633092 /nfs/dbraw/zinc/63/30/92/788633092.db2.gz CDPRTJQOMMPDAV-CABCVRRESA-N 1 2 346.431 0.878 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC3(C2)CC[N@@H+](Cc2cn(C)nn2)C3)c1 ZINC001072968293 789179740 /nfs/dbraw/zinc/17/97/40/789179740.db2.gz DOWNPMZZQNZEOD-UHFFFAOYSA-N 1 2 336.399 0.540 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC3(C2)CC[N@H+](Cc2cn(C)nn2)C3)c1 ZINC001072968293 789179745 /nfs/dbraw/zinc/17/97/45/789179745.db2.gz DOWNPMZZQNZEOD-UHFFFAOYSA-N 1 2 336.399 0.540 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1cnn(CC)n1)C2 ZINC001072994749 789245493 /nfs/dbraw/zinc/24/54/93/789245493.db2.gz QFIRUYGSUXAKKH-CVEARBPZSA-N 1 2 345.447 0.923 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1cnn(CC)n1)C2 ZINC001072994749 789245498 /nfs/dbraw/zinc/24/54/98/789245498.db2.gz QFIRUYGSUXAKKH-CVEARBPZSA-N 1 2 345.447 0.923 20 30 ECEDLO N#Cc1cncc(N2CC[C@]3(NC(=O)Cn4cc[nH+]c4)CCC[C@@H]23)n1 ZINC001069268715 789720264 /nfs/dbraw/zinc/72/02/64/789720264.db2.gz JVBBXOPPRZQIRW-RHSMWYFYSA-N 1 2 337.387 0.863 20 30 ECEDLO N#Cc1nccnc1N1CC[C@@]2(NC(=O)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001069291312 789736088 /nfs/dbraw/zinc/73/60/88/789736088.db2.gz KKGBFCBVFFBJEF-PBHICJAKSA-N 1 2 337.387 0.932 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCCN1c1cncc(C#N)n1 ZINC001069376445 789784581 /nfs/dbraw/zinc/78/45/81/789784581.db2.gz XJSHQPSULDQZDC-OCCSQVGLSA-N 1 2 325.376 0.718 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001073394265 789786145 /nfs/dbraw/zinc/78/61/45/789786145.db2.gz YNQKURLRHYJQTC-OAHLLOKOSA-N 1 2 346.431 0.666 20 30 ECEDLO C#CCN1CCn2ncc(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)c2C1 ZINC001069864387 790120606 /nfs/dbraw/zinc/12/06/06/790120606.db2.gz NKWLBJNTVNXAPK-AWEZNQCLSA-N 1 2 338.415 0.407 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CCCN3C(C)=O)c2C1 ZINC001069881546 790146173 /nfs/dbraw/zinc/14/61/73/790146173.db2.gz LAVJNHKRDNQEDT-INIZCTEOSA-N 1 2 345.447 0.902 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CCCN3C(C)=O)c2C1 ZINC001069881546 790146177 /nfs/dbraw/zinc/14/61/77/790146177.db2.gz LAVJNHKRDNQEDT-INIZCTEOSA-N 1 2 345.447 0.902 20 30 ECEDLO CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001069907576 790176300 /nfs/dbraw/zinc/17/63/00/790176300.db2.gz CQDQALVNKSOIED-CFVMTHIKSA-N 1 2 345.382 0.881 20 30 ECEDLO CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001069907576 790176301 /nfs/dbraw/zinc/17/63/01/790176301.db2.gz CQDQALVNKSOIED-CFVMTHIKSA-N 1 2 345.382 0.881 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccnn2C(F)F)[C@@H](n2ccnn2)C1 ZINC001069936556 790210396 /nfs/dbraw/zinc/21/03/96/790210396.db2.gz IBBKHRVCFGULDS-YPMHNXCESA-N 1 2 349.345 0.548 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccnn2C(F)F)[C@@H](n2ccnn2)C1 ZINC001069936556 790210398 /nfs/dbraw/zinc/21/03/98/790210398.db2.gz IBBKHRVCFGULDS-YPMHNXCESA-N 1 2 349.345 0.548 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnn3c2CCC3)[C@@H](n2ccnn2)C1 ZINC001069943121 790219956 /nfs/dbraw/zinc/21/99/56/790219956.db2.gz BXLHTDOIOBVUPJ-ZBFHGGJFSA-N 1 2 339.403 0.099 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnn3c2CCC3)[C@@H](n2ccnn2)C1 ZINC001069943121 790219961 /nfs/dbraw/zinc/21/99/61/790219961.db2.gz BXLHTDOIOBVUPJ-ZBFHGGJFSA-N 1 2 339.403 0.099 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccsc2COC)[C@@H](n2ccnn2)C1 ZINC001069958551 790241083 /nfs/dbraw/zinc/24/10/83/790241083.db2.gz JSSXTMDSKVSALK-KGLIPLIRSA-N 1 2 345.428 0.775 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccsc2COC)[C@@H](n2ccnn2)C1 ZINC001069958551 790241089 /nfs/dbraw/zinc/24/10/89/790241089.db2.gz JSSXTMDSKVSALK-KGLIPLIRSA-N 1 2 345.428 0.775 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)cc(C)n2)[C@@H](n2ccnn2)C1 ZINC001069965735 790252592 /nfs/dbraw/zinc/25/25/92/790252592.db2.gz CPDFVZFPUHANOQ-SJORKVTESA-N 1 2 338.415 0.969 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)cc(C)n2)[C@@H](n2ccnn2)C1 ZINC001069965735 790252596 /nfs/dbraw/zinc/25/25/96/790252596.db2.gz CPDFVZFPUHANOQ-SJORKVTESA-N 1 2 338.415 0.969 20 30 ECEDLO CC(C)C#CC(=O)N[C@@H]1COC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001068859290 791280370 /nfs/dbraw/zinc/28/03/70/791280370.db2.gz QFBXQIYEGOUUTM-AWEZNQCLSA-N 1 2 330.388 0.098 20 30 ECEDLO C[C@@H]1[C@@H](Nc2cnc(C#N)cn2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001068872721 791316359 /nfs/dbraw/zinc/31/63/59/791316359.db2.gz PFHAABLIVZNKAM-RISCZKNCSA-N 1 2 325.376 0.726 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC2(C1)C[C@@H](NC(=O)Cn1cc[nH+]c1)CO2 ZINC001068914926 791409201 /nfs/dbraw/zinc/40/92/01/791409201.db2.gz GOJYCZKNRNWHNK-CQSZACIVSA-N 1 2 346.431 0.972 20 30 ECEDLO C=CC(C)(C)C(=O)N[C@H]1COC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001068947729 791484222 /nfs/dbraw/zinc/48/42/22/791484222.db2.gz JYVXWXAHTNRHNK-CQSZACIVSA-N 1 2 346.431 0.972 20 30 ECEDLO CC#CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)Cc1c[nH]c[nH+]1)CO2 ZINC001069057257 791661531 /nfs/dbraw/zinc/66/15/31/791661531.db2.gz CUSQZBNQKPMHHE-HNNXBMFYSA-N 1 2 344.415 0.632 20 30 ECEDLO C[C@H]1C[C@@H](Nc2ccc(C#N)nn2)CN1C(=O)Cc1c[nH+]cn1C ZINC001069122001 791722052 /nfs/dbraw/zinc/72/20/52/791722052.db2.gz MLFHSFMCXMBREV-WCQYABFASA-N 1 2 325.376 0.726 20 30 ECEDLO C[C@H]1C[C@@H](Nc2ccnc(C#N)n2)CN1C(=O)Cc1c[nH+]cn1C ZINC001069122484 791723012 /nfs/dbraw/zinc/72/30/12/791723012.db2.gz UDIUXNGPUFBFEU-NWDGAFQWSA-N 1 2 325.376 0.148 20 30 ECEDLO C[C@@H]1C[C@@H](Nc2cnc(C#N)cn2)CN1C(=O)Cc1c[nH+]cn1C ZINC001069122362 791723042 /nfs/dbraw/zinc/72/30/42/791723042.db2.gz RJROBKADAJPARR-VXGBXAGGSA-N 1 2 325.376 0.726 20 30 ECEDLO N#Cc1cncc(N2CC[NH+]([C@@H]3CCN(C(=O)C4CCC4)C3)CC2)n1 ZINC001066693861 792008353 /nfs/dbraw/zinc/00/83/53/792008353.db2.gz GOIIMJCTJYHGFX-MRXNPFEDSA-N 1 2 340.431 0.871 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC001066698271 792016546 /nfs/dbraw/zinc/01/65/46/792016546.db2.gz JODJHFURWGXNOP-GOEBONIOSA-N 1 2 338.415 0.836 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001066698668 792020185 /nfs/dbraw/zinc/02/01/85/792020185.db2.gz NGYVSFJXMAQBFA-UONOGXRCSA-N 1 2 339.403 0.231 20 30 ECEDLO CC[C@@H](F)C(=O)N1CC[C@@H]([NH+]2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001066700339 792027219 /nfs/dbraw/zinc/02/72/19/792027219.db2.gz JIQKTXSKMMXBLU-HUUCEWRRSA-N 1 2 346.410 0.819 20 30 ECEDLO CC1(C(=O)N2CC[C@@H]([NH+]3CCN(c4cnc(C#N)cn4)CC3)C2)CC1 ZINC001066709059 792035975 /nfs/dbraw/zinc/03/59/75/792035975.db2.gz OQNAIUMNRMYJJR-OAHLLOKOSA-N 1 2 340.431 0.871 20 30 ECEDLO N#Cc1cncc(N2CCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)n1 ZINC001066794680 792176359 /nfs/dbraw/zinc/17/63/59/792176359.db2.gz VGYMQGHCERSDDD-LBPRGKRZSA-N 1 2 325.376 0.789 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1)c1cncc(C#N)n1 ZINC001067803195 792308961 /nfs/dbraw/zinc/30/89/61/792308961.db2.gz SQUUKMLIPGIBMK-AWEZNQCLSA-N 1 2 325.376 0.741 20 30 ECEDLO N#Cc1cnccc1N[C@@]1(CO)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001066923381 792393913 /nfs/dbraw/zinc/39/39/13/792393913.db2.gz JJQZWLSBPXJULT-KRWDZBQOSA-N 1 2 340.387 0.106 20 30 ECEDLO C[C@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067963457 792513337 /nfs/dbraw/zinc/51/33/37/792513337.db2.gz PIALXLMQLPAQAT-JSGCOSHPSA-N 1 2 339.403 0.655 20 30 ECEDLO C[C@@H]1CCN(c2ccc(C#N)nn2)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067967988 792523397 /nfs/dbraw/zinc/52/33/97/792523397.db2.gz URYKAVJKFSTXGL-DGCLKSJQSA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1Nc1nccnc1C#N ZINC001067085312 792684276 /nfs/dbraw/zinc/68/42/76/792684276.db2.gz ZCSJUKODCXRRRX-WCQYABFASA-N 1 2 325.376 0.963 20 30 ECEDLO CC1(C)CN(c2cncc(C#N)n2)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001068115826 792698286 /nfs/dbraw/zinc/69/82/86/792698286.db2.gz SWCDHBNTCMNWKH-ZDUSSCGKSA-N 1 2 325.376 0.576 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CN(c2cncc(C#N)n2)CC1(C)C ZINC001068117254 792700093 /nfs/dbraw/zinc/70/00/93/792700093.db2.gz QWQJGCABZDCABN-AWEZNQCLSA-N 1 2 339.403 0.655 20 30 ECEDLO CC1(C)CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001068118925 792703989 /nfs/dbraw/zinc/70/39/89/792703989.db2.gz GORJJJHWYQHTLD-LLVKDONJSA-N 1 2 325.376 0.645 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](Nc2cnc(C#N)cn2)[C@@H](C)C1 ZINC001067127600 792728683 /nfs/dbraw/zinc/72/86/83/792728683.db2.gz RJKHHYKEDXNJPA-HZMBPMFUSA-N 1 2 325.376 0.881 20 30 ECEDLO C[C@@H](Nc1ccc(C#N)nc1)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001068236847 792897441 /nfs/dbraw/zinc/89/74/41/792897441.db2.gz NHEYGUBVHAKAJY-DOMZBBRYSA-N 1 2 340.387 0.947 20 30 ECEDLO C[C@@H](Nc1ncccc1C#N)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001068245854 792927652 /nfs/dbraw/zinc/92/76/52/792927652.db2.gz RASDPHDEZDMVDM-DOMZBBRYSA-N 1 2 340.387 0.947 20 30 ECEDLO C[C@H]1C[C@H](CNc2nccnc2C#N)CN1C(=O)Cc1c[nH+]cn1C ZINC001068336595 793070672 /nfs/dbraw/zinc/07/06/72/793070672.db2.gz BOQWSARJDUOHOY-QWHCGFSZSA-N 1 2 339.403 0.973 20 30 ECEDLO C[C@@H]1CN(c2cnc(C#N)cn2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067404067 793106922 /nfs/dbraw/zinc/10/69/22/793106922.db2.gz VLUASPRHQRSWDP-TZMCWYRMSA-N 1 2 325.376 0.576 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C[C@@H]1C ZINC001067407191 793109882 /nfs/dbraw/zinc/10/98/82/793109882.db2.gz CNFXTTVTNIFYLQ-WCQYABFASA-N 1 2 339.403 0.954 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067439721 793161854 /nfs/dbraw/zinc/16/18/54/793161854.db2.gz FTTRHXMXDIMPKM-AAEUAGOBSA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@@H]1CN(c2cnc(C#N)cn2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067441235 793164795 /nfs/dbraw/zinc/16/47/95/793164795.db2.gz WSLJXBPCBUQAQU-RISCZKNCSA-N 1 2 325.376 0.645 20 30 ECEDLO CC(C)(C)C#CC(=O)N1CCOC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001068396197 793205807 /nfs/dbraw/zinc/20/58/07/793205807.db2.gz SZGVMHCVUKVZSH-UHFFFAOYSA-N 1 2 344.415 0.442 20 30 ECEDLO C=CCn1cc(C(=O)N(CCC)[C@@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001267482599 837540320 /nfs/dbraw/zinc/54/03/20/837540320.db2.gz UIAFUXCTMXWMEQ-CHWSQXEVSA-N 1 2 334.424 0.264 20 30 ECEDLO C=CCn1cc(C(=O)N(CCC)[C@@H]2CC[N@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001267482599 837540327 /nfs/dbraw/zinc/54/03/27/837540327.db2.gz UIAFUXCTMXWMEQ-CHWSQXEVSA-N 1 2 334.424 0.264 20 30 ECEDLO CCCN(C(=O)c1[nH]ccc1C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267540984 837726193 /nfs/dbraw/zinc/72/61/93/837726193.db2.gz SBESHHQGUNNINR-AWEZNQCLSA-N 1 2 331.420 0.889 20 30 ECEDLO CCCN(C(=O)c1[nH]ccc1C)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267540984 837726201 /nfs/dbraw/zinc/72/62/01/837726201.db2.gz SBESHHQGUNNINR-AWEZNQCLSA-N 1 2 331.420 0.889 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)c1cnc2ccccc2n1 ZINC001267573023 837812423 /nfs/dbraw/zinc/81/24/23/837812423.db2.gz GEGCXMAAFAKNDY-UHFFFAOYSA-N 1 2 338.415 0.843 20 30 ECEDLO C=C[C@H](CC)CC(=O)N(C)CC[NH+]1CCN(Cc2cnn(C)n2)CC1 ZINC001267574581 837821798 /nfs/dbraw/zinc/82/17/98/837821798.db2.gz MHVUOLYUURIBHA-MRXNPFEDSA-N 1 2 348.495 0.993 20 30 ECEDLO C=CCN1CC[NH+](CCN(C)C(=O)CCNC(=O)c2ccco2)CC1 ZINC001267575548 837827962 /nfs/dbraw/zinc/82/79/62/837827962.db2.gz FVALYTPCIVBKHT-UHFFFAOYSA-N 1 2 348.447 0.662 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H](C[N@H+](C)Cc2nnnn2C)C1 ZINC001267577934 837834136 /nfs/dbraw/zinc/83/41/36/837834136.db2.gz GNDPFYNLTVVIMN-UONOGXRCSA-N 1 2 336.440 0.472 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H](C[N@@H+](C)Cc2nnnn2C)C1 ZINC001267577934 837834139 /nfs/dbraw/zinc/83/41/39/837834139.db2.gz GNDPFYNLTVVIMN-UONOGXRCSA-N 1 2 336.440 0.472 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)c2nn(CC)nc2C)C1 ZINC001266254871 835561213 /nfs/dbraw/zinc/56/12/13/835561213.db2.gz YBMRQLHFQLHKGN-KGLIPLIRSA-N 1 2 348.451 0.491 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2nn(CC)nc2C)C1 ZINC001266254871 835561219 /nfs/dbraw/zinc/56/12/19/835561219.db2.gz YBMRQLHFQLHKGN-KGLIPLIRSA-N 1 2 348.451 0.491 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[N@H+](C)CC(=O)N1CCCCCCC1 ZINC001266274971 835598744 /nfs/dbraw/zinc/59/87/44/835598744.db2.gz IDOHGAFNFGYHDH-INIZCTEOSA-N 1 2 337.464 0.865 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[N@@H+](C)CC(=O)N1CCCCCCC1 ZINC001266274971 835598748 /nfs/dbraw/zinc/59/87/48/835598748.db2.gz IDOHGAFNFGYHDH-INIZCTEOSA-N 1 2 337.464 0.865 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN(CCNC(=O)[C@@H](C)CC)CC2)C1=O ZINC001266279368 835607283 /nfs/dbraw/zinc/60/72/83/835607283.db2.gz NLPSCFYTPMDGKX-JKSUJKDBSA-N 1 2 336.480 0.553 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(CCNC(=O)/C(C)=C\CC)CC1 ZINC001266281356 835610045 /nfs/dbraw/zinc/61/00/45/835610045.db2.gz MIMRPUTWOJQBPQ-NXADEVLQSA-N 1 2 334.464 0.214 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCC[NH+]1CCN([C@@H](C)c2cnccn2)CC1 ZINC001266283129 835613235 /nfs/dbraw/zinc/61/32/35/835613235.db2.gz FPTYKBPYZKCPPD-YJBOKZPZSA-N 1 2 347.463 0.599 20 30 ECEDLO CC#CCN1CC[NH+](CCNC(=O)Cc2cccc(OCC)n2)CC1 ZINC001266288260 835631304 /nfs/dbraw/zinc/63/13/04/835631304.db2.gz UYBBSSMAZQNZII-UHFFFAOYSA-N 1 2 344.459 0.780 20 30 ECEDLO COCC#CCN1CC[NH+](CCNC(=O)CC(C)(C)COC)CC1 ZINC001266290259 835634102 /nfs/dbraw/zinc/63/41/02/835634102.db2.gz SQASVMMNAPGIHK-UHFFFAOYSA-N 1 2 339.480 0.433 20 30 ECEDLO COCC#CC[NH+]1CCN(CCNC(=O)CC(C)(C)COC)CC1 ZINC001266290259 835634105 /nfs/dbraw/zinc/63/41/05/835634105.db2.gz SQASVMMNAPGIHK-UHFFFAOYSA-N 1 2 339.480 0.433 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2n[nH]cc2C)C1 ZINC001266316522 835685161 /nfs/dbraw/zinc/68/51/61/835685161.db2.gz FELIKZHWBNXNHI-CQSZACIVSA-N 1 2 333.436 0.947 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2n[nH]cc2C)C1 ZINC001266316522 835685165 /nfs/dbraw/zinc/68/51/65/835685165.db2.gz FELIKZHWBNXNHI-CQSZACIVSA-N 1 2 333.436 0.947 20 30 ECEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001266319921 835689931 /nfs/dbraw/zinc/68/99/31/835689931.db2.gz VQJGWJCNSXIXCN-TZMCWYRMSA-N 1 2 348.447 0.603 20 30 ECEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001266319921 835689935 /nfs/dbraw/zinc/68/99/35/835689935.db2.gz VQJGWJCNSXIXCN-TZMCWYRMSA-N 1 2 348.447 0.603 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NCC[N@H+](C)CC(=O)N1CCO[C@@H](C)C1 ZINC001266320192 835691608 /nfs/dbraw/zinc/69/16/08/835691608.db2.gz BMCIJXGSZDYIGU-YOEHRIQHSA-N 1 2 325.453 0.884 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NCC[N@@H+](C)CC(=O)N1CCO[C@@H](C)C1 ZINC001266320192 835691614 /nfs/dbraw/zinc/69/16/14/835691614.db2.gz BMCIJXGSZDYIGU-YOEHRIQHSA-N 1 2 325.453 0.884 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cc2c([nH]c1=O)CCCC2 ZINC001266340182 835725824 /nfs/dbraw/zinc/72/58/24/835725824.db2.gz NALHRUNBVDQYHQ-UHFFFAOYSA-N 1 2 346.431 0.630 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cc2c([nH]c1=O)CCCC2 ZINC001266340182 835725829 /nfs/dbraw/zinc/72/58/29/835725829.db2.gz NALHRUNBVDQYHQ-UHFFFAOYSA-N 1 2 346.431 0.630 20 30 ECEDLO CCCn1nc(C)c(C(=O)NCC[N@H+](C)CC(=O)NCC#N)c1C ZINC001266347304 835737867 /nfs/dbraw/zinc/73/78/67/835737867.db2.gz LMISFSYHUUEYSH-UHFFFAOYSA-N 1 2 334.424 0.211 20 30 ECEDLO CCCn1nc(C)c(C(=O)NCC[N@@H+](C)CC(=O)NCC#N)c1C ZINC001266347304 835737877 /nfs/dbraw/zinc/73/78/77/835737877.db2.gz LMISFSYHUUEYSH-UHFFFAOYSA-N 1 2 334.424 0.211 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(=O)NCCCC)C2)nn1 ZINC001266347490 835738937 /nfs/dbraw/zinc/73/89/37/835738937.db2.gz PMFABGHVIAMBIO-ZIAGYGMSSA-N 1 2 348.451 0.573 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(=O)NCCCC)C2)nn1 ZINC001266347490 835738947 /nfs/dbraw/zinc/73/89/47/835738947.db2.gz PMFABGHVIAMBIO-ZIAGYGMSSA-N 1 2 348.451 0.573 20 30 ECEDLO C#Cc1ccc(C(=O)NCC[N@@H+](C)CC(=O)NC2CCCC2)cn1 ZINC001266349923 835745150 /nfs/dbraw/zinc/74/51/50/835745150.db2.gz DEUHBBIBUZENMN-UHFFFAOYSA-N 1 2 328.416 0.783 20 30 ECEDLO C#Cc1ccc(C(=O)NCC[N@H+](C)CC(=O)NC2CCCC2)cn1 ZINC001266349923 835745160 /nfs/dbraw/zinc/74/51/60/835745160.db2.gz DEUHBBIBUZENMN-UHFFFAOYSA-N 1 2 328.416 0.783 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nccn3cc(C)nc23)C1 ZINC001266350339 835746922 /nfs/dbraw/zinc/74/69/22/835746922.db2.gz SCKPWORZXMJEON-CYBMUJFWSA-N 1 2 342.403 0.144 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nccn3cc(C)nc23)C1 ZINC001266350339 835746928 /nfs/dbraw/zinc/74/69/28/835746928.db2.gz SCKPWORZXMJEON-CYBMUJFWSA-N 1 2 342.403 0.144 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C(C)(C)c1ccc(F)cc1 ZINC001266351043 835748709 /nfs/dbraw/zinc/74/87/09/835748709.db2.gz YMWRJGXNCUILDF-UHFFFAOYSA-N 1 2 333.407 0.901 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C(C)(C)c1ccc(F)cc1 ZINC001266351043 835748717 /nfs/dbraw/zinc/74/87/17/835748717.db2.gz YMWRJGXNCUILDF-UHFFFAOYSA-N 1 2 333.407 0.901 20 30 ECEDLO C#Cc1ccccc1CC(=O)NCC[N@@H+](C)CC(=O)N(C)C1CC1 ZINC001266352053 835751725 /nfs/dbraw/zinc/75/17/25/835751725.db2.gz KVWRAXZHQWENHH-UHFFFAOYSA-N 1 2 327.428 0.879 20 30 ECEDLO C#Cc1ccccc1CC(=O)NCC[N@H+](C)CC(=O)N(C)C1CC1 ZINC001266352053 835751733 /nfs/dbraw/zinc/75/17/33/835751733.db2.gz KVWRAXZHQWENHH-UHFFFAOYSA-N 1 2 327.428 0.879 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N[C@@H](C)C3CC3)C2)nc1 ZINC001266352663 835753032 /nfs/dbraw/zinc/75/30/32/835753032.db2.gz FLVJOXAEMVKQIK-XJKSGUPXSA-N 1 2 340.427 0.782 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N[C@@H](C)C3CC3)C2)nc1 ZINC001266352663 835753037 /nfs/dbraw/zinc/75/30/37/835753037.db2.gz FLVJOXAEMVKQIK-XJKSGUPXSA-N 1 2 340.427 0.782 20 30 ECEDLO C[C@H](Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001266360977 835770644 /nfs/dbraw/zinc/77/06/44/835770644.db2.gz GUSVZXJBHQLDJK-ZBFHGGJFSA-N 1 2 328.416 0.695 20 30 ECEDLO C[C@H](Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001266360977 835770653 /nfs/dbraw/zinc/77/06/53/835770653.db2.gz GUSVZXJBHQLDJK-ZBFHGGJFSA-N 1 2 328.416 0.695 20 30 ECEDLO C=C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1)c1ccccc1 ZINC001266360911 835770967 /nfs/dbraw/zinc/77/09/67/835770967.db2.gz FHXRTLMYUIQETJ-ZIAGYGMSSA-N 1 2 330.388 0.342 20 30 ECEDLO C=C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1)c1ccccc1 ZINC001266360911 835770971 /nfs/dbraw/zinc/77/09/71/835770971.db2.gz FHXRTLMYUIQETJ-ZIAGYGMSSA-N 1 2 330.388 0.342 20 30 ECEDLO C=CC(C)(C)C(=O)N[C@@H]1CC12CC[NH+](Cc1nc(=O)n(C)[nH]1)CC2 ZINC001266377353 835789003 /nfs/dbraw/zinc/78/90/03/835789003.db2.gz UUDPEFWGSPNRGL-GFCCVEGCSA-N 1 2 333.436 0.791 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccco1 ZINC001266442205 835847003 /nfs/dbraw/zinc/84/70/03/835847003.db2.gz BHQALGMYVGZPPF-LBPRGKRZSA-N 1 2 334.376 0.486 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1ccco1 ZINC001266442205 835847011 /nfs/dbraw/zinc/84/70/11/835847011.db2.gz BHQALGMYVGZPPF-LBPRGKRZSA-N 1 2 334.376 0.486 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C1(CC)CC1 ZINC001266479871 835880552 /nfs/dbraw/zinc/88/05/52/835880552.db2.gz FJOSXLJOQDUIJD-CYBMUJFWSA-N 1 2 336.436 0.769 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(CC)CC1 ZINC001266479871 835880558 /nfs/dbraw/zinc/88/05/58/835880558.db2.gz FJOSXLJOQDUIJD-CYBMUJFWSA-N 1 2 336.436 0.769 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc2ncccn2n1 ZINC001266486921 835886574 /nfs/dbraw/zinc/88/65/74/835886574.db2.gz SCAMYYDRCBDKGC-ZDUSSCGKSA-N 1 2 342.403 0.226 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cc2ncccn2n1 ZINC001266486921 835886581 /nfs/dbraw/zinc/88/65/81/835886581.db2.gz SCAMYYDRCBDKGC-ZDUSSCGKSA-N 1 2 342.403 0.226 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001266553671 835981264 /nfs/dbraw/zinc/98/12/64/835981264.db2.gz RJOLGVDNBLBKNP-GXTWGEPZSA-N 1 2 337.449 0.700 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)C(C)=C2CCC2)C1 ZINC001279479733 836144573 /nfs/dbraw/zinc/14/45/73/836144573.db2.gz LCJDPMKSANSTOY-SFHVURJKSA-N 1 2 333.432 0.179 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)C(C)=C2CCC2)C1 ZINC001279479733 836144576 /nfs/dbraw/zinc/14/45/76/836144576.db2.gz LCJDPMKSANSTOY-SFHVURJKSA-N 1 2 333.432 0.179 20 30 ECEDLO CN(CCNC(=O)c1c[nH]c(C#N)c1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001408553763 836643422 /nfs/dbraw/zinc/64/34/22/836643422.db2.gz PQOWMORHTDIUFI-LBPRGKRZSA-N 1 2 340.387 0.534 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1nonc1C ZINC001279563690 836687039 /nfs/dbraw/zinc/68/70/39/836687039.db2.gz AHTODPFAUOYAQM-HZPDHXFCSA-N 1 2 332.404 0.983 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1nonc1C ZINC001279563690 836687049 /nfs/dbraw/zinc/68/70/49/836687049.db2.gz AHTODPFAUOYAQM-HZPDHXFCSA-N 1 2 332.404 0.983 20 30 ECEDLO CC(C)C#CC(=O)NCC[N@H+](C)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC001267195218 836960040 /nfs/dbraw/zinc/96/00/40/836960040.db2.gz RUACVMUAMAAWBR-OAHLLOKOSA-N 1 2 331.420 0.233 20 30 ECEDLO CC(C)C#CC(=O)NCC[N@@H+](C)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC001267195218 836960049 /nfs/dbraw/zinc/96/00/49/836960049.db2.gz RUACVMUAMAAWBR-OAHLLOKOSA-N 1 2 331.420 0.233 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H](C)CO1 ZINC001267207810 836991595 /nfs/dbraw/zinc/99/15/95/836991595.db2.gz PIYFZNOKTNPJGY-GJZGRUSLSA-N 1 2 325.453 0.884 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H](C)CO1 ZINC001267207810 836991605 /nfs/dbraw/zinc/99/16/05/836991605.db2.gz PIYFZNOKTNPJGY-GJZGRUSLSA-N 1 2 325.453 0.884 20 30 ECEDLO Cc1[nH]c2ccccc2c1CC(=O)NCC[N@@H+](C)CC(=O)NCC#N ZINC001267214286 837003815 /nfs/dbraw/zinc/00/38/15/837003815.db2.gz RJWDTEVKMUDUAX-UHFFFAOYSA-N 1 2 341.415 0.707 20 30 ECEDLO Cc1[nH]c2ccccc2c1CC(=O)NCC[N@H+](C)CC(=O)NCC#N ZINC001267214286 837003824 /nfs/dbraw/zinc/00/38/24/837003824.db2.gz RJWDTEVKMUDUAX-UHFFFAOYSA-N 1 2 341.415 0.707 20 30 ECEDLO C#Cc1ccc(C(=O)NCC[N@@H+](C)Cc2c(C)nnn2CC)cn1 ZINC001267226887 837026849 /nfs/dbraw/zinc/02/68/49/837026849.db2.gz UNMXRUIGXVPFEE-UHFFFAOYSA-N 1 2 326.404 0.845 20 30 ECEDLO C#Cc1ccc(C(=O)NCC[N@H+](C)Cc2c(C)nnn2CC)cn1 ZINC001267226887 837026856 /nfs/dbraw/zinc/02/68/56/837026856.db2.gz UNMXRUIGXVPFEE-UHFFFAOYSA-N 1 2 326.404 0.845 20 30 ECEDLO Cn1cc(Cl)cc1C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001267269595 837109097 /nfs/dbraw/zinc/10/90/97/837109097.db2.gz BEJWFPJQASPCIJ-LBPRGKRZSA-N 1 2 337.811 0.512 20 30 ECEDLO Cn1cc(Cl)cc1C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001267269595 837109102 /nfs/dbraw/zinc/10/91/02/837109102.db2.gz BEJWFPJQASPCIJ-LBPRGKRZSA-N 1 2 337.811 0.512 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1coc(CC2CC2)n1 ZINC001267279949 837127856 /nfs/dbraw/zinc/12/78/56/837127856.db2.gz ONVRQOUXLQXISY-CQSZACIVSA-N 1 2 344.415 0.571 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1coc(CC2CC2)n1 ZINC001267279949 837127860 /nfs/dbraw/zinc/12/78/60/837127860.db2.gz ONVRQOUXLQXISY-CQSZACIVSA-N 1 2 344.415 0.571 20 30 ECEDLO C=CCN1CC[NH+](CCN(C)C(=O)[C@@H]2CCc3ncncc3C2)CC1 ZINC001267607263 837949585 /nfs/dbraw/zinc/94/95/85/837949585.db2.gz BOHLWKWDUQPBCW-MRXNPFEDSA-N 1 2 343.475 0.844 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)c1ncnc2ccsc21 ZINC001267607347 837950647 /nfs/dbraw/zinc/95/06/47/837950647.db2.gz FRQOKDJJJKQEEC-UHFFFAOYSA-N 1 2 344.444 0.904 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2nccc3occc32)C1 ZINC001267616465 838021922 /nfs/dbraw/zinc/02/19/22/838021922.db2.gz NAXBGBZDGFUYPQ-CYBMUJFWSA-N 1 2 340.383 0.771 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2nccc3occc32)C1 ZINC001267616465 838021933 /nfs/dbraw/zinc/02/19/33/838021933.db2.gz NAXBGBZDGFUYPQ-CYBMUJFWSA-N 1 2 340.383 0.771 20 30 ECEDLO C=CCCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001267623625 838065656 /nfs/dbraw/zinc/06/56/56/838065656.db2.gz VIYUMVUBSBUBBM-JSGCOSHPSA-N 1 2 336.436 0.910 20 30 ECEDLO C=CCCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001267623625 838065664 /nfs/dbraw/zinc/06/56/64/838065664.db2.gz VIYUMVUBSBUBBM-JSGCOSHPSA-N 1 2 336.436 0.910 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CCN2C(=O)CCC2=O)C1 ZINC001267629180 838083756 /nfs/dbraw/zinc/08/37/56/838083756.db2.gz QWAPYFNMJBVALI-LBPRGKRZSA-N 1 2 327.812 0.859 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCN2C(=O)CCC2=O)C1 ZINC001267629180 838083768 /nfs/dbraw/zinc/08/37/68/838083768.db2.gz QWAPYFNMJBVALI-LBPRGKRZSA-N 1 2 327.812 0.859 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001267633874 838102134 /nfs/dbraw/zinc/10/21/34/838102134.db2.gz SQDLGNGPKLPSJZ-AWEZNQCLSA-N 1 2 348.451 0.352 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001267633874 838102137 /nfs/dbraw/zinc/10/21/37/838102137.db2.gz SQDLGNGPKLPSJZ-AWEZNQCLSA-N 1 2 348.451 0.352 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)COC2CCCCC2)C1 ZINC001267688626 838252755 /nfs/dbraw/zinc/25/27/55/838252755.db2.gz QCJZUGZYKJQLMG-CQSZACIVSA-N 1 2 335.448 0.522 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2cc(C3CC3)no2)C1 ZINC001267693708 838274459 /nfs/dbraw/zinc/27/44/59/838274459.db2.gz ODRZUVGDOWTCMV-LLVKDONJSA-N 1 2 330.388 0.352 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH+]1CC(CNC(=O)C(C)(CC)CC)C1 ZINC001267699393 838294349 /nfs/dbraw/zinc/29/43/49/838294349.db2.gz RBKFZAZZZMYAQI-UHFFFAOYSA-N 1 2 338.452 0.873 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CC[N@@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001267724054 838383123 /nfs/dbraw/zinc/38/31/23/838383123.db2.gz PFACBKCWNCCFTD-ZDUSSCGKSA-N 1 2 334.372 0.379 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CC[N@H+](Cc2cc(=O)c(OC)co2)C1 ZINC001267724054 838383129 /nfs/dbraw/zinc/38/31/29/838383129.db2.gz PFACBKCWNCCFTD-ZDUSSCGKSA-N 1 2 334.372 0.379 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC001267729279 838413319 /nfs/dbraw/zinc/41/33/19/838413319.db2.gz ZLGVCPGSVSAMRU-KRWDZBQOSA-N 1 2 327.428 0.894 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC001267729279 838413322 /nfs/dbraw/zinc/41/33/22/838413322.db2.gz ZLGVCPGSVSAMRU-KRWDZBQOSA-N 1 2 327.428 0.894 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(COC)o2)C1 ZINC001267744825 838448492 /nfs/dbraw/zinc/44/84/92/838448492.db2.gz LYMMIQSTOQCQTJ-CHWSQXEVSA-N 1 2 333.388 0.368 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc(COC)o2)C1 ZINC001267744825 838448495 /nfs/dbraw/zinc/44/84/95/838448495.db2.gz LYMMIQSTOQCQTJ-CHWSQXEVSA-N 1 2 333.388 0.368 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N[C@H](C)C3CC3)C2)c1 ZINC001267749510 838465606 /nfs/dbraw/zinc/46/56/06/838465606.db2.gz RBGZFGWYGFHVPP-CXAGYDPISA-N 1 2 340.427 0.782 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N[C@H](C)C3CC3)C2)c1 ZINC001267749510 838465614 /nfs/dbraw/zinc/46/56/14/838465614.db2.gz RBGZFGWYGFHVPP-CXAGYDPISA-N 1 2 340.427 0.782 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(C3CC3)nn2C)C1 ZINC001267764636 838497235 /nfs/dbraw/zinc/49/72/35/838497235.db2.gz WVNCZNJDWZZPKR-AWEZNQCLSA-N 1 2 345.447 0.746 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C3CC3)nn2C)C1 ZINC001267764636 838497241 /nfs/dbraw/zinc/49/72/41/838497241.db2.gz WVNCZNJDWZZPKR-AWEZNQCLSA-N 1 2 345.447 0.746 20 30 ECEDLO Cc1nc(CC(=O)N(C)[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)c(C)s1 ZINC001267766394 838500668 /nfs/dbraw/zinc/50/06/68/838500668.db2.gz ICMABCWBHJEXCK-CYBMUJFWSA-N 1 2 349.460 0.475 20 30 ECEDLO Cc1nc(CC(=O)N(C)[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)c(C)s1 ZINC001267766394 838500673 /nfs/dbraw/zinc/50/06/73/838500673.db2.gz ICMABCWBHJEXCK-CYBMUJFWSA-N 1 2 349.460 0.475 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cnco2)C1 ZINC001267769540 838515223 /nfs/dbraw/zinc/51/52/23/838515223.db2.gz YDTDSNVUSAKKFH-VXGBXAGGSA-N 1 2 349.391 0.221 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cnco2)C1 ZINC001267769540 838515228 /nfs/dbraw/zinc/51/52/28/838515228.db2.gz YDTDSNVUSAKKFH-VXGBXAGGSA-N 1 2 349.391 0.221 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](F)CC)C1 ZINC001267770282 838518063 /nfs/dbraw/zinc/51/80/63/838518063.db2.gz IKCBDGJZQBVRJZ-NWDGAFQWSA-N 1 2 328.388 0.279 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](F)CC)C1 ZINC001267770282 838518069 /nfs/dbraw/zinc/51/80/69/838518069.db2.gz IKCBDGJZQBVRJZ-NWDGAFQWSA-N 1 2 328.388 0.279 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2ccnc(C3CC3)n2)C1 ZINC001267773025 838529044 /nfs/dbraw/zinc/52/90/44/838529044.db2.gz IXOPXWKLKHQAGS-AWEZNQCLSA-N 1 2 341.415 0.250 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccnc(C3CC3)n2)C1 ZINC001267773025 838529046 /nfs/dbraw/zinc/52/90/46/838529046.db2.gz IXOPXWKLKHQAGS-AWEZNQCLSA-N 1 2 341.415 0.250 20 30 ECEDLO CCN(C(=O)c1n[nH]c(C)c1C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267783322 838557097 /nfs/dbraw/zinc/55/70/97/838557097.db2.gz ADVGRUFSODDFPB-CYBMUJFWSA-N 1 2 332.408 0.203 20 30 ECEDLO CCN(C(=O)c1n[nH]c(C)c1C)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267783322 838557102 /nfs/dbraw/zinc/55/71/02/838557102.db2.gz ADVGRUFSODDFPB-CYBMUJFWSA-N 1 2 332.408 0.203 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)c2nccs2)C1 ZINC001267791747 838572212 /nfs/dbraw/zinc/57/22/12/838572212.db2.gz WRJSMPVRNOXRNF-CHWSQXEVSA-N 1 2 334.445 0.817 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)c2nccs2)C1 ZINC001267791747 838572216 /nfs/dbraw/zinc/57/22/16/838572216.db2.gz WRJSMPVRNOXRNF-CHWSQXEVSA-N 1 2 334.445 0.817 20 30 ECEDLO CC(C)C#CC(=O)N[C@@H]1CCC[N@@H+](C[C@H](C)CS(C)(=O)=O)C1 ZINC001267931492 838812208 /nfs/dbraw/zinc/81/22/08/838812208.db2.gz UABUIKRNISLMQR-LSDHHAIUSA-N 1 2 328.478 0.907 20 30 ECEDLO CC(C)C#CC(=O)N[C@@H]1CCC[N@H+](C[C@H](C)CS(C)(=O)=O)C1 ZINC001267931492 838812213 /nfs/dbraw/zinc/81/22/13/838812213.db2.gz UABUIKRNISLMQR-LSDHHAIUSA-N 1 2 328.478 0.907 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cn(C)nc2C2CC2)C1 ZINC001267937346 838820550 /nfs/dbraw/zinc/82/05/50/838820550.db2.gz KIUNOJRECSWXSQ-CQSZACIVSA-N 1 2 345.447 0.794 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)nc2C2CC2)C1 ZINC001267937346 838820559 /nfs/dbraw/zinc/82/05/59/838820559.db2.gz KIUNOJRECSWXSQ-CQSZACIVSA-N 1 2 345.447 0.794 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc3c[nH]nc32)C1 ZINC001267956329 838861095 /nfs/dbraw/zinc/86/10/95/838861095.db2.gz CQXHJQVSPNAOLK-CQSZACIVSA-N 1 2 339.399 0.507 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cccc3c[nH]nc32)C1 ZINC001267956329 838861108 /nfs/dbraw/zinc/86/11/08/838861108.db2.gz CQXHJQVSPNAOLK-CQSZACIVSA-N 1 2 339.399 0.507 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cnc3n2CCCC3)C1 ZINC001267962167 838876626 /nfs/dbraw/zinc/87/66/26/838876626.db2.gz DYVGWZNYKJCVOE-CQSZACIVSA-N 1 2 343.431 0.163 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cnc3n2CCCC3)C1 ZINC001267962167 838876634 /nfs/dbraw/zinc/87/66/34/838876634.db2.gz DYVGWZNYKJCVOE-CQSZACIVSA-N 1 2 343.431 0.163 20 30 ECEDLO CC(C)(C)C#CC(=O)NC[C@H]1C[N@H+](C[C@@H]2CCc3ncnn32)CCO1 ZINC001268021190 838995368 /nfs/dbraw/zinc/99/53/68/838995368.db2.gz CCOOTIZUWRQQII-GJZGRUSLSA-N 1 2 345.447 0.632 20 30 ECEDLO CC(C)(C)C#CC(=O)NC[C@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)CCO1 ZINC001268021190 838995376 /nfs/dbraw/zinc/99/53/76/838995376.db2.gz CCOOTIZUWRQQII-GJZGRUSLSA-N 1 2 345.447 0.632 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+](CCOCCOC)CCO2)nc1 ZINC001268030885 839055074 /nfs/dbraw/zinc/05/50/74/839055074.db2.gz WORYODBFUZHQIE-INIZCTEOSA-N 1 2 347.415 0.157 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](CCOCCOC)CCO2)nc1 ZINC001268030885 839055086 /nfs/dbraw/zinc/05/50/86/839055086.db2.gz WORYODBFUZHQIE-INIZCTEOSA-N 1 2 347.415 0.157 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CCOCC3)CC2)s1 ZINC000981000325 839304115 /nfs/dbraw/zinc/30/41/15/839304115.db2.gz UZRDVDCOYZPCHB-UHFFFAOYSA-N 1 2 348.472 0.986 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCOCC3)CC2)s1 ZINC000981000325 839304126 /nfs/dbraw/zinc/30/41/26/839304126.db2.gz UZRDVDCOYZPCHB-UHFFFAOYSA-N 1 2 348.472 0.986 20 30 ECEDLO CC(C)NC(=O)C(=O)N1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000053433218 214182578 /nfs/dbraw/zinc/18/25/78/214182578.db2.gz YNVKTGQFKPTJQT-UHFFFAOYSA-N 1 2 344.415 0.606 20 30 ECEDLO COCCCNC(=O)C[N@H+](C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000101546009 219134199 /nfs/dbraw/zinc/13/41/99/219134199.db2.gz RXIKAOIDJTYBIR-MRXNPFEDSA-N 1 2 344.415 0.748 20 30 ECEDLO COCCCNC(=O)C[N@@H+](C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000101546009 219134200 /nfs/dbraw/zinc/13/42/00/219134200.db2.gz RXIKAOIDJTYBIR-MRXNPFEDSA-N 1 2 344.415 0.748 20 30 ECEDLO N#Cc1cccc(C2(C(=O)N[C@H](CO)C[NH+]3CCOCC3)CC2)c1 ZINC000425290625 210034541 /nfs/dbraw/zinc/03/45/41/210034541.db2.gz GSZAYDNOMCQQNK-INIZCTEOSA-N 1 2 329.400 0.399 20 30 ECEDLO N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000111193441 220107348 /nfs/dbraw/zinc/10/73/48/220107348.db2.gz PAOYETDGCIQHJH-UHFFFAOYSA-N 1 2 331.401 0.788 20 30 ECEDLO N#Cc1cc(S(=O)(=O)NCCC[NH+]2CCOCC2)ccc1F ZINC000264070679 246035855 /nfs/dbraw/zinc/03/58/55/246035855.db2.gz GPFQSKFTVYFKIP-UHFFFAOYSA-N 1 2 327.381 0.698 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccccc2F)CC1 ZINC000264141800 246103107 /nfs/dbraw/zinc/10/31/07/246103107.db2.gz HLUSHMFLCXYSPE-UHFFFAOYSA-N 1 2 331.391 0.652 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccccc2F)CC1 ZINC000264141800 246103111 /nfs/dbraw/zinc/10/31/11/246103111.db2.gz HLUSHMFLCXYSPE-UHFFFAOYSA-N 1 2 331.391 0.652 20 30 ECEDLO COCCO[C@H]1C[C@@H](CO)C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000447398280 211187699 /nfs/dbraw/zinc/18/76/99/211187699.db2.gz SAZDFGZMWZRFNB-WBVHZDCISA-N 1 2 347.415 0.843 20 30 ECEDLO COCCO[C@H]1C[C@@H](CO)C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000447398280 211187701 /nfs/dbraw/zinc/18/77/01/211187701.db2.gz SAZDFGZMWZRFNB-WBVHZDCISA-N 1 2 347.415 0.843 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CSc1ccc(C#N)cc1 ZINC000267551448 251147771 /nfs/dbraw/zinc/14/77/71/251147771.db2.gz BMLYAAUVLISFEZ-HNNXBMFYSA-N 1 2 349.456 0.802 20 30 ECEDLO CN(C)C(=O)NCC[N@H+](C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000411427392 208102031 /nfs/dbraw/zinc/10/20/31/208102031.db2.gz IMYSDBUKODNMIO-OAHLLOKOSA-N 1 2 329.404 0.867 20 30 ECEDLO CN(C)C(=O)NCC[N@@H+](C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000411427392 208102038 /nfs/dbraw/zinc/10/20/38/208102038.db2.gz IMYSDBUKODNMIO-OAHLLOKOSA-N 1 2 329.404 0.867 20 30 ECEDLO CCN(Cc1ccc2c(c1)OCCO2)C(=O)CO[NH+]=C(N)CCO ZINC000278225575 254545959 /nfs/dbraw/zinc/54/59/59/254545959.db2.gz MDYXQLAULHYMQV-UHFFFAOYSA-N 1 2 337.376 0.478 20 30 ECEDLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)C1(O)CCOCC1 ZINC000330028766 254625863 /nfs/dbraw/zinc/62/58/63/254625863.db2.gz PDOYDNTXBVZNSJ-AWEZNQCLSA-N 1 2 330.450 0.692 20 30 ECEDLO COC[C@H](C)NC(=O)NC(=O)C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000330534037 254639258 /nfs/dbraw/zinc/63/92/58/254639258.db2.gz UNAFNFVYUBNWLG-VIFPVBQESA-N 1 2 341.330 0.441 20 30 ECEDLO C[C@@H](CS(C)(=O)=O)NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000330804205 254643627 /nfs/dbraw/zinc/64/36/27/254643627.db2.gz BLBWSICGADEUFX-ZDUSSCGKSA-N 1 2 347.481 0.378 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000342080651 254682358 /nfs/dbraw/zinc/68/23/58/254682358.db2.gz VZHBYEZKVMSMFQ-HNNXBMFYSA-N 1 2 345.447 0.491 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)c2ccn(C)n2)CC1 ZINC000459792632 254812038 /nfs/dbraw/zinc/81/20/38/254812038.db2.gz ODKHFNWKEFKQKR-ZBFHGGJFSA-N 1 2 332.452 0.763 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CC(=O)N(C(C)C)C(C)(C)C2)CC1 ZINC000490761748 254885145 /nfs/dbraw/zinc/88/51/45/254885145.db2.gz WIZXSRKOCQVTFK-UHFFFAOYSA-N 1 2 334.464 0.095 20 30 ECEDLO C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001077941373 781980210 /nfs/dbraw/zinc/98/02/10/781980210.db2.gz IFMTUBJRCFMTKF-HUUCEWRRSA-N 1 2 347.806 0.795 20 30 ECEDLO C=C(C)[C@@H](CO)[NH+]1CCN(c2ccccc2S(N)(=O)=O)CC1 ZINC000682372390 549392293 /nfs/dbraw/zinc/39/22/93/549392293.db2.gz TZGSWDOOADDXMH-CQSZACIVSA-N 1 2 325.434 0.393 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2nc(C)ccc2C#N)CC1 ZINC000161191580 296715435 /nfs/dbraw/zinc/71/54/35/296715435.db2.gz NDJAGWVYYLKLFP-HNNXBMFYSA-N 1 2 345.447 0.925 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)C[C@H]1[NH+]1CCOCC1 ZINC000246479647 296733476 /nfs/dbraw/zinc/73/34/76/296733476.db2.gz LGBSSAUEUUDGQB-CZUORRHYSA-N 1 2 335.429 0.899 20 30 ECEDLO C[C@H](c1ccc(C#N)cc1)[N@H+](C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000122884338 222176459 /nfs/dbraw/zinc/17/64/59/222176459.db2.gz UOWURMRDKUTUJC-IUODEOHRSA-N 1 2 335.429 0.854 20 30 ECEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000122884338 222176462 /nfs/dbraw/zinc/17/64/62/222176462.db2.gz UOWURMRDKUTUJC-IUODEOHRSA-N 1 2 335.429 0.854 20 30 ECEDLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2cc(C#N)ccc2C)CC1 ZINC000123308242 222252930 /nfs/dbraw/zinc/25/29/30/222252930.db2.gz MEKRQOUFQMIAEY-HNNXBMFYSA-N 1 2 337.445 0.944 20 30 ECEDLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1ccc(OC)c(C#N)c1 ZINC000269690365 263197669 /nfs/dbraw/zinc/19/76/69/263197669.db2.gz HSXDNMGBKKDZMK-UHFFFAOYSA-N 1 2 347.415 0.874 20 30 ECEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000283814941 264155018 /nfs/dbraw/zinc/15/50/18/264155018.db2.gz JMQRTKFTXINHFR-CYBMUJFWSA-N 1 2 325.372 0.918 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCc1cccc(C#N)c1 ZINC000283931026 264170048 /nfs/dbraw/zinc/17/00/48/264170048.db2.gz JNCJCCMDYRNELI-CQSZACIVSA-N 1 2 344.415 0.354 20 30 ECEDLO C[N@@H+]1CCO[C@H]2CCN(S(=O)(=O)Cc3cccc(C#N)c3)C[C@@H]21 ZINC000284812357 264240901 /nfs/dbraw/zinc/24/09/01/264240901.db2.gz ZUMAUYVLGARBQZ-HOTGVXAUSA-N 1 2 335.429 0.793 20 30 ECEDLO C[N@H+]1CCO[C@H]2CCN(S(=O)(=O)Cc3cccc(C#N)c3)C[C@@H]21 ZINC000284812357 264240903 /nfs/dbraw/zinc/24/09/03/264240903.db2.gz ZUMAUYVLGARBQZ-HOTGVXAUSA-N 1 2 335.429 0.793 20 30 ECEDLO N#Cc1ccc2[nH+]cc(CN3CCN(S(=O)(=O)C4CC4)CC3)n2c1 ZINC000529639735 270008126 /nfs/dbraw/zinc/00/81/26/270008126.db2.gz JYNCWUOHEQIFOL-UHFFFAOYSA-N 1 2 345.428 0.816 20 30 ECEDLO Cc1cc[nH+]cc1N1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)CC1 ZINC000533308878 270008421 /nfs/dbraw/zinc/00/84/21/270008421.db2.gz HIZZRWIPBCEQLQ-ZDUSSCGKSA-N 1 2 325.376 0.763 20 30 ECEDLO CCN1CCO[C@@H](C[NH+]2CCN(c3nnc(C)c(C)c3C#N)CC2)C1 ZINC000363961256 266153153 /nfs/dbraw/zinc/15/31/53/266153153.db2.gz KUTWAZJAHSKEIO-MRXNPFEDSA-N 1 2 344.463 0.808 20 30 ECEDLO CC[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)CC[N@@H+]1C[C@H](C)O ZINC000277125532 266382008 /nfs/dbraw/zinc/38/20/08/266382008.db2.gz ZRHACHRZBSQEJC-QWHCGFSZSA-N 1 2 338.433 0.419 20 30 ECEDLO CC[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)CC[N@H+]1C[C@H](C)O ZINC000277125532 266382011 /nfs/dbraw/zinc/38/20/11/266382011.db2.gz ZRHACHRZBSQEJC-QWHCGFSZSA-N 1 2 338.433 0.419 20 30 ECEDLO C[C@@H](Nc1ccc(S(N)(=O)=O)cc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000301390163 266979581 /nfs/dbraw/zinc/97/95/81/266979581.db2.gz ACPJELQTKRRPGW-NEPJUHHUSA-N 1 2 338.433 0.727 20 30 ECEDLO C[C@H](CNS(=O)(=O)c1ccc(C#N)s1)C[NH+]1CCN(C)CC1 ZINC000331230957 267162260 /nfs/dbraw/zinc/16/22/60/267162260.db2.gz HRSYDAPJOIOOOG-GFCCVEGCSA-N 1 2 342.490 0.782 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC000289100261 267191165 /nfs/dbraw/zinc/19/11/65/267191165.db2.gz HGYKGYGHBCYWLV-KGLIPLIRSA-N 1 2 337.445 0.775 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC000289100261 267191168 /nfs/dbraw/zinc/19/11/68/267191168.db2.gz HGYKGYGHBCYWLV-KGLIPLIRSA-N 1 2 337.445 0.775 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC000341894868 267241307 /nfs/dbraw/zinc/24/13/07/267241307.db2.gz JYTZOYBSDWKBHI-UONOGXRCSA-N 1 2 349.460 0.684 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC000341894868 267241309 /nfs/dbraw/zinc/24/13/09/267241309.db2.gz JYTZOYBSDWKBHI-UONOGXRCSA-N 1 2 349.460 0.684 20 30 ECEDLO C[C@H]1OCC[C@@H]1[N@H+](CCO)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000361575505 267244730 /nfs/dbraw/zinc/24/47/30/267244730.db2.gz BVCBHADZJOFTTQ-CJNGLKHVSA-N 1 2 338.429 0.804 20 30 ECEDLO C[C@H]1OCC[C@@H]1[N@@H+](CCO)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000361575505 267244731 /nfs/dbraw/zinc/24/47/31/267244731.db2.gz BVCBHADZJOFTTQ-CJNGLKHVSA-N 1 2 338.429 0.804 20 30 ECEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332497719 267280284 /nfs/dbraw/zinc/28/02/84/267280284.db2.gz ZLGOCLDXYILKMV-JKSUJKDBSA-N 1 2 342.399 0.737 20 30 ECEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332497719 267280287 /nfs/dbraw/zinc/28/02/87/267280287.db2.gz ZLGOCLDXYILKMV-JKSUJKDBSA-N 1 2 342.399 0.737 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)cc1 ZINC000295417144 268066802 /nfs/dbraw/zinc/06/68/02/268066802.db2.gz TWIVDIATCAIVLW-AWEZNQCLSA-N 1 2 341.371 0.730 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)cc1 ZINC000295417144 268066803 /nfs/dbraw/zinc/06/68/03/268066803.db2.gz TWIVDIATCAIVLW-AWEZNQCLSA-N 1 2 341.371 0.730 20 30 ECEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CC[C@H](n4cncn4)C3)C2=O)cc1 ZINC000368883103 268105308 /nfs/dbraw/zinc/10/53/08/268105308.db2.gz WBHXFDTXDMHSSB-LSDHHAIUSA-N 1 2 336.355 0.729 20 30 ECEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CC[C@H](n4cncn4)C3)C2=O)cc1 ZINC000368883103 268105309 /nfs/dbraw/zinc/10/53/09/268105309.db2.gz WBHXFDTXDMHSSB-LSDHHAIUSA-N 1 2 336.355 0.729 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(n3cncn3)CC2)nc1 ZINC000368004795 268187449 /nfs/dbraw/zinc/18/74/49/268187449.db2.gz FQHSJJQHAKZQOU-UHFFFAOYSA-N 1 2 346.416 0.656 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H](O)C3CCOCC3)CC2)cc1 ZINC000515193439 268220338 /nfs/dbraw/zinc/22/03/38/268220338.db2.gz BPVOCLONFJLBPF-SFHVURJKSA-N 1 2 343.427 0.990 20 30 ECEDLO N#Cc1cnc(N[C@H]2CCCN(CC[NH+]3CCOCC3)C2=O)cn1 ZINC000368925493 268312402 /nfs/dbraw/zinc/31/24/02/268312402.db2.gz SCMAXBCUBWRRLB-AWEZNQCLSA-N 1 2 330.392 0.083 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(c2ncnc3scc(C)c32)CC1 ZINC000491616804 275383668 /nfs/dbraw/zinc/38/36/68/275383668.db2.gz BFPJWVDIXCHHTM-UHFFFAOYSA-N 1 2 329.429 0.871 20 30 ECEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000373260717 275420048 /nfs/dbraw/zinc/42/00/48/275420048.db2.gz MOKQRXFHOJNFMZ-OWCLPIDISA-N 1 2 335.448 0.781 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000491819178 275718097 /nfs/dbraw/zinc/71/80/97/275718097.db2.gz MYXVUCVDWOUHSK-QGZVFWFLSA-N 1 2 340.427 0.307 20 30 ECEDLO C[C@@H](CS(C)(=O)=O)N(C)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000330732730 437602019 /nfs/dbraw/zinc/60/20/19/437602019.db2.gz JSRREZIJGIDOMC-NSHDSACASA-N 1 2 328.438 0.998 20 30 ECEDLO C[C@H](CCO)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330738719 437603952 /nfs/dbraw/zinc/60/39/52/437603952.db2.gz PHEQLXUNPISWPZ-GFCCVEGCSA-N 1 2 335.408 0.566 20 30 ECEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000329654514 289044241 /nfs/dbraw/zinc/04/42/41/289044241.db2.gz LSJHGEZVULGSKT-MGPQQGTHSA-N 1 2 334.424 0.302 20 30 ECEDLO C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000190267495 437620777 /nfs/dbraw/zinc/62/07/77/437620777.db2.gz QFMCWMAKRBQEIZ-OAHLLOKOSA-N 1 2 342.443 0.901 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000071833609 436016841 /nfs/dbraw/zinc/01/68/41/436016841.db2.gz IWQIQPMKVZFMBN-AWEZNQCLSA-N 1 2 331.420 0.616 20 30 ECEDLO CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(C#N)cc1 ZINC000015298863 436078148 /nfs/dbraw/zinc/07/81/48/436078148.db2.gz HLBSPGBJBBKNMQ-OAHLLOKOSA-N 1 2 335.429 0.683 20 30 ECEDLO CC[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(C#N)cc1 ZINC000015298863 436078156 /nfs/dbraw/zinc/07/81/56/436078156.db2.gz HLBSPGBJBBKNMQ-OAHLLOKOSA-N 1 2 335.429 0.683 20 30 ECEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c1 ZINC000074288372 436116105 /nfs/dbraw/zinc/11/61/05/436116105.db2.gz KWHOQYRJYANHFB-CYBMUJFWSA-N 1 2 336.417 0.497 20 30 ECEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c1 ZINC000074288372 436116113 /nfs/dbraw/zinc/11/61/13/436116113.db2.gz KWHOQYRJYANHFB-CYBMUJFWSA-N 1 2 336.417 0.497 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC000022852254 436122586 /nfs/dbraw/zinc/12/25/86/436122586.db2.gz TZZBMFXJEIRDOL-CYBMUJFWSA-N 1 2 335.408 0.230 20 30 ECEDLO CCNC(=O)NC(=O)[C@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023084739 436123026 /nfs/dbraw/zinc/12/30/26/436123026.db2.gz BWKJOCWXIFOUBQ-AWEZNQCLSA-N 1 2 343.431 0.910 20 30 ECEDLO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000023084739 436123033 /nfs/dbraw/zinc/12/30/33/436123033.db2.gz BWKJOCWXIFOUBQ-AWEZNQCLSA-N 1 2 343.431 0.910 20 30 ECEDLO CC[C@H]1C[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCO1 ZINC000029719781 436208574 /nfs/dbraw/zinc/20/85/74/436208574.db2.gz OKRAOSNUMDICEA-AWEZNQCLSA-N 1 2 347.419 0.614 20 30 ECEDLO CC[C@H]1C[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCO1 ZINC000029719781 436208579 /nfs/dbraw/zinc/20/85/79/436208579.db2.gz OKRAOSNUMDICEA-AWEZNQCLSA-N 1 2 347.419 0.614 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000076911675 436218876 /nfs/dbraw/zinc/21/88/76/436218876.db2.gz KVVBRKNHNOYLBF-CYBMUJFWSA-N 1 2 330.454 0.152 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000076911675 436218880 /nfs/dbraw/zinc/21/88/80/436218880.db2.gz KVVBRKNHNOYLBF-CYBMUJFWSA-N 1 2 330.454 0.152 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)CC(=O)NCc1ccccc1 ZINC000078681384 436275599 /nfs/dbraw/zinc/27/55/99/436275599.db2.gz NTMLWLIZNBTMFN-UHFFFAOYSA-N 1 2 330.432 0.851 20 30 ECEDLO CS(=O)(=O)N[C@@H]1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000041621907 436279619 /nfs/dbraw/zinc/27/96/19/436279619.db2.gz PDRWIXKOJJAQED-CYBMUJFWSA-N 1 2 342.465 0.343 20 30 ECEDLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000041621907 436279623 /nfs/dbraw/zinc/27/96/23/436279623.db2.gz PDRWIXKOJJAQED-CYBMUJFWSA-N 1 2 342.465 0.343 20 30 ECEDLO C#CC[NH+]1CCN(CN2C(=O)C(=O)N(Cc3cccs3)C2=O)CC1 ZINC000044756693 436347654 /nfs/dbraw/zinc/34/76/54/436347654.db2.gz DSGVWLNRWFUWIK-UHFFFAOYSA-N 1 2 346.412 0.247 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC000042627250 436308479 /nfs/dbraw/zinc/30/84/79/436308479.db2.gz ORSPGUFLBDJVLU-QGZVFWFLSA-N 1 2 348.491 0.816 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000079965784 436309948 /nfs/dbraw/zinc/30/99/48/436309948.db2.gz JPMWXOXSILUHGD-KBPBESRZSA-N 1 2 331.482 0.813 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000079965784 436309953 /nfs/dbraw/zinc/30/99/53/436309953.db2.gz JPMWXOXSILUHGD-KBPBESRZSA-N 1 2 331.482 0.813 20 30 ECEDLO CC(=O)N1CC[NH+](CCNC(=O)COc2ccc(C#N)cc2)CC1 ZINC000045852818 436378966 /nfs/dbraw/zinc/37/89/66/436378966.db2.gz QUSWZOMHFHFWRB-UHFFFAOYSA-N 1 2 330.388 0.217 20 30 ECEDLO C#CC[N@H+](Cc1ccc(-n2cncn2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000092194542 436466504 /nfs/dbraw/zinc/46/65/04/436466504.db2.gz SENBYDDENUQKIW-INIZCTEOSA-N 1 2 330.413 0.890 20 30 ECEDLO C#CC[N@@H+](Cc1ccc(-n2cncn2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000092194542 436466509 /nfs/dbraw/zinc/46/65/09/436466509.db2.gz SENBYDDENUQKIW-INIZCTEOSA-N 1 2 330.413 0.890 20 30 ECEDLO CCCC[N@H+](CC(N)=O)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000092617493 436473405 /nfs/dbraw/zinc/47/34/05/436473405.db2.gz SMEDBJMPCQIZEJ-HNNXBMFYSA-N 1 2 337.468 0.266 20 30 ECEDLO CCCC[N@@H+](CC(N)=O)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000092617493 436473410 /nfs/dbraw/zinc/47/34/10/436473410.db2.gz SMEDBJMPCQIZEJ-HNNXBMFYSA-N 1 2 337.468 0.266 20 30 ECEDLO CCN(CCC#N)C(=O)CN1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000052395299 436508260 /nfs/dbraw/zinc/50/82/60/436508260.db2.gz KJIWWMXGXJRBJK-CQSZACIVSA-N 1 2 335.452 0.033 20 30 ECEDLO C=CCN(CC=C)C(=O)CN1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000053431032 436531968 /nfs/dbraw/zinc/53/19/68/436531968.db2.gz RZRUYXSLLOYFEB-UHFFFAOYSA-N 1 2 336.480 0.673 20 30 ECEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(CC(=O)N(CC)CC)CC1 ZINC000053431032 436531972 /nfs/dbraw/zinc/53/19/72/436531972.db2.gz RZRUYXSLLOYFEB-UHFFFAOYSA-N 1 2 336.480 0.673 20 30 ECEDLO C#CCNC(=O)[C@@H](C)N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000103491847 436555513 /nfs/dbraw/zinc/55/55/13/436555513.db2.gz JTLMCUOFBKNXKW-HUUCEWRRSA-N 1 2 334.464 0.189 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000103491847 436555517 /nfs/dbraw/zinc/55/55/17/436555517.db2.gz JTLMCUOFBKNXKW-HUUCEWRRSA-N 1 2 334.464 0.189 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)ccc2O)CC1 ZINC000104133029 436557695 /nfs/dbraw/zinc/55/76/95/436557695.db2.gz MKGZHJXZFGBCRI-UHFFFAOYSA-N 1 2 329.400 0.598 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)ccc2O)CC1 ZINC000104133029 436557698 /nfs/dbraw/zinc/55/76/98/436557698.db2.gz MKGZHJXZFGBCRI-UHFFFAOYSA-N 1 2 329.400 0.598 20 30 ECEDLO N#C[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCO1 ZINC000106328177 436591697 /nfs/dbraw/zinc/59/16/97/436591697.db2.gz UGCIVUKFCCBXDR-SJORKVTESA-N 1 2 344.415 0.821 20 30 ECEDLO N#C[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCO1 ZINC000106328177 436591699 /nfs/dbraw/zinc/59/16/99/436591699.db2.gz UGCIVUKFCCBXDR-SJORKVTESA-N 1 2 344.415 0.821 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000057551465 436613574 /nfs/dbraw/zinc/61/35/74/436613574.db2.gz IUIXUGDUFWBDFJ-CABCVRRESA-N 1 2 336.436 0.175 20 30 ECEDLO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1CCC(C#N)CC1 ZINC000057880631 436617274 /nfs/dbraw/zinc/61/72/74/436617274.db2.gz JPGGZLBCEROAQD-NSHDSACASA-N 1 2 336.417 0.897 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2COc3ccccc32)CC1 ZINC000113173008 436636179 /nfs/dbraw/zinc/63/61/79/436636179.db2.gz JWXZTQNRPYWDMK-MRXNPFEDSA-N 1 2 341.411 0.446 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2COc3ccccc32)CC1 ZINC000113173008 436636181 /nfs/dbraw/zinc/63/61/81/436636181.db2.gz JWXZTQNRPYWDMK-MRXNPFEDSA-N 1 2 341.411 0.446 20 30 ECEDLO CN(C(=O)C[N@H+](C)CC(=O)N1CCOCC1)C1(C#N)CCCCC1 ZINC000061784572 436638741 /nfs/dbraw/zinc/63/87/41/436638741.db2.gz JJHXCJHQLAWYBG-UHFFFAOYSA-N 1 2 336.436 0.462 20 30 ECEDLO CN(C(=O)C[N@@H+](C)CC(=O)N1CCOCC1)C1(C#N)CCCCC1 ZINC000061784572 436638743 /nfs/dbraw/zinc/63/87/43/436638743.db2.gz JJHXCJHQLAWYBG-UHFFFAOYSA-N 1 2 336.436 0.462 20 30 ECEDLO COc1ccnc(N2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)n1 ZINC000140277197 436667450 /nfs/dbraw/zinc/66/74/50/436667450.db2.gz RLOIKZZHCBNPKZ-CYBMUJFWSA-N 1 2 332.408 0.368 20 30 ECEDLO C=CCSCCNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000194633655 436668844 /nfs/dbraw/zinc/66/88/44/436668844.db2.gz NCDPSJASUCSPPO-UHFFFAOYSA-N 1 2 340.493 0.855 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Nc2cc(-n3cnnn3)ccc2C)CC1 ZINC000195216773 436684447 /nfs/dbraw/zinc/68/44/47/436684447.db2.gz WSMWPOPJAQAQAG-UHFFFAOYSA-N 1 2 325.376 0.753 20 30 ECEDLO COC(=O)[C@@H]1CC[N@H+](CCC(=O)N(C)CCC#N)[C@H](C(=O)OC)C1 ZINC000272629129 436720152 /nfs/dbraw/zinc/72/01/52/436720152.db2.gz VYNOYDOHLJUDPP-OLZOCXBDSA-N 1 2 339.392 0.175 20 30 ECEDLO COC(=O)[C@@H]1CC[N@@H+](CCC(=O)N(C)CCC#N)[C@H](C(=O)OC)C1 ZINC000272629129 436720154 /nfs/dbraw/zinc/72/01/54/436720154.db2.gz VYNOYDOHLJUDPP-OLZOCXBDSA-N 1 2 339.392 0.175 20 30 ECEDLO COC(=O)CCNC(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000121441276 436715629 /nfs/dbraw/zinc/71/56/29/436715629.db2.gz ZVDXKXNVUMIQQO-INIZCTEOSA-N 1 2 344.415 0.548 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 ZINC000128417587 436814996 /nfs/dbraw/zinc/81/49/96/436814996.db2.gz UZVAXKKQBDJXPI-UHFFFAOYSA-N 1 2 346.431 0.265 20 30 ECEDLO COc1ccc(CNC(=O)[C@@H](C)O[NH+]=C(N)CCO)cc1OC ZINC000274328154 436816777 /nfs/dbraw/zinc/81/67/77/436816777.db2.gz FFUCLXMIFMNYEQ-SNVBAGLBSA-N 1 2 325.365 0.380 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)[C@H](C)C1 ZINC000249140117 436818061 /nfs/dbraw/zinc/81/80/61/436818061.db2.gz FNGQXYJUAIAGII-NEPJUHHUSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)[C@H](C)C1 ZINC000249140117 436818064 /nfs/dbraw/zinc/81/80/64/436818064.db2.gz FNGQXYJUAIAGII-NEPJUHHUSA-N 1 2 341.408 0.773 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)N[C@H]2CS(=O)(=O)c3ccccc32)CC1 ZINC000125381416 436768412 /nfs/dbraw/zinc/76/84/12/436768412.db2.gz IJANBYUFLRJUNW-HNNXBMFYSA-N 1 2 332.425 0.976 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000273583720 436769467 /nfs/dbraw/zinc/76/94/67/436769467.db2.gz FATQXSCQENXHHV-CYBMUJFWSA-N 1 2 334.399 0.746 20 30 ECEDLO CS(=O)(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000274178855 436803103 /nfs/dbraw/zinc/80/31/03/436803103.db2.gz OPBDRGVPBGTGTO-HOCLYGCPSA-N 1 2 338.429 0.807 20 30 ECEDLO CS(=O)(=O)[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000274178855 436803106 /nfs/dbraw/zinc/80/31/06/436803106.db2.gz OPBDRGVPBGTGTO-HOCLYGCPSA-N 1 2 338.429 0.807 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000279912871 436850379 /nfs/dbraw/zinc/85/03/79/436850379.db2.gz FBAJGNJUFMSGFW-RHSMWYFYSA-N 1 2 332.452 0.763 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCC[C@H]2C(=O)OC(C)(C)C)CC1 ZINC000132674585 436869055 /nfs/dbraw/zinc/86/90/55/436869055.db2.gz FTOPULFXYJLVAX-HNNXBMFYSA-N 1 2 335.448 0.570 20 30 ECEDLO C#Cc1cccc(NC(=O)CNC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)c1 ZINC000280750888 436918009 /nfs/dbraw/zinc/91/80/09/436918009.db2.gz KOOUBZYRBGUHBX-QGZVFWFLSA-N 1 2 339.399 0.759 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135757101 436923728 /nfs/dbraw/zinc/92/37/28/436923728.db2.gz IYQSKRLKKXDYKE-HNNXBMFYSA-N 1 2 343.493 0.911 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135757101 436923735 /nfs/dbraw/zinc/92/37/35/436923735.db2.gz IYQSKRLKKXDYKE-HNNXBMFYSA-N 1 2 343.493 0.911 20 30 ECEDLO C[C@H](NC(=O)C(=O)Nc1sccc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000293504725 436883665 /nfs/dbraw/zinc/88/36/65/436883665.db2.gz VBWSXQAMLODHIY-QWRGUYRKSA-N 1 2 336.417 0.784 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2CCC(=O)[C@H]2C)CC1 ZINC000280469461 436897267 /nfs/dbraw/zinc/89/72/67/436897267.db2.gz IBBHINSKOOGOLC-GJZGRUSLSA-N 1 2 333.432 0.275 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2CCC(=O)[C@H]2C)CC1 ZINC000280469461 436897270 /nfs/dbraw/zinc/89/72/70/436897270.db2.gz IBBHINSKOOGOLC-GJZGRUSLSA-N 1 2 333.432 0.275 20 30 ECEDLO C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(n3cc[nH+]c3)CC2)C1=O ZINC000263665284 436974706 /nfs/dbraw/zinc/97/47/06/436974706.db2.gz BQZVUTUQAZCHQS-UHFFFAOYSA-N 1 2 345.359 0.023 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC2CCSCC2)CC1 ZINC000136606020 436933530 /nfs/dbraw/zinc/93/35/30/436933530.db2.gz XVFLYZVFWRNMEQ-UHFFFAOYSA-N 1 2 337.489 0.803 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC2CCSCC2)CC1 ZINC000136606020 436933531 /nfs/dbraw/zinc/93/35/31/436933531.db2.gz XVFLYZVFWRNMEQ-UHFFFAOYSA-N 1 2 337.489 0.803 20 30 ECEDLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)CC2(C#N)CC2)CC1 ZINC000164651926 436933654 /nfs/dbraw/zinc/93/36/54/436933654.db2.gz ATTGZEXXJOZLGD-UHFFFAOYSA-N 1 2 342.465 0.200 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(c2ncnc3cccc(F)c32)CC1 ZINC000264277132 437018676 /nfs/dbraw/zinc/01/86/76/437018676.db2.gz HOWRKHNPLZSMHV-UHFFFAOYSA-N 1 2 327.363 0.640 20 30 ECEDLO C=CCCCN(C)C(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000298023980 437024272 /nfs/dbraw/zinc/02/42/72/437024272.db2.gz ULOYGZMTXOWKKC-UHFFFAOYSA-N 1 2 331.420 0.858 20 30 ECEDLO CN(CCC#N)C(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000283251050 437026641 /nfs/dbraw/zinc/02/66/41/437026641.db2.gz LMCDPZQROCIDJQ-UHFFFAOYSA-N 1 2 330.388 0.829 20 30 ECEDLO C[C@H](O[NH+]=C(N)[C@@H]1CCCO1)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000283859672 437033163 /nfs/dbraw/zinc/03/31/63/437033163.db2.gz CFZJYAVYLUAURM-ZOWXZIJZSA-N 1 2 349.387 0.799 20 30 ECEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC(=O)N[C@H](C)C2)c(OC)c1 ZINC000296113417 436982580 /nfs/dbraw/zinc/98/25/80/436982580.db2.gz HCYVMFPWNBYYCT-HIFRSBDPSA-N 1 2 334.416 0.984 20 30 ECEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC(=O)N[C@H](C)C2)c(OC)c1 ZINC000296113417 436982582 /nfs/dbraw/zinc/98/25/82/436982582.db2.gz HCYVMFPWNBYYCT-HIFRSBDPSA-N 1 2 334.416 0.984 20 30 ECEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC(=O)N[C@H](C)C2)c(OC)c1 ZINC000296113419 436982862 /nfs/dbraw/zinc/98/28/62/436982862.db2.gz HCYVMFPWNBYYCT-UKRRQHHQSA-N 1 2 334.416 0.984 20 30 ECEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC(=O)N[C@H](C)C2)c(OC)c1 ZINC000296113419 436982866 /nfs/dbraw/zinc/98/28/66/436982866.db2.gz HCYVMFPWNBYYCT-UKRRQHHQSA-N 1 2 334.416 0.984 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CC(=O)N1CCC(C(=O)OCC)CC1 ZINC000263803287 436989288 /nfs/dbraw/zinc/98/92/88/436989288.db2.gz KLSAWFAXDHYQKH-UHFFFAOYSA-N 1 2 325.409 0.022 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CC(=O)N1CCC(C(=O)OCC)CC1 ZINC000263803287 436989290 /nfs/dbraw/zinc/98/92/90/436989290.db2.gz KLSAWFAXDHYQKH-UHFFFAOYSA-N 1 2 325.409 0.022 20 30 ECEDLO CNC(=O)c1cccc(NC(=O)[C@H](C)O[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000284442145 437053797 /nfs/dbraw/zinc/05/37/97/437053797.db2.gz PLIGFEIKTYYTIP-GWCFXTLKSA-N 1 2 334.376 0.841 20 30 ECEDLO COCCNC(=O)CN1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000298402189 437037161 /nfs/dbraw/zinc/03/71/61/437037161.db2.gz KIIXFBRIQUKTDU-UHFFFAOYSA-N 1 2 346.431 0.469 20 30 ECEDLO CC(C)NC(=O)C[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000285466859 437078592 /nfs/dbraw/zinc/07/85/92/437078592.db2.gz BVBBWRGVOILCCN-UHFFFAOYSA-N 1 2 346.391 0.695 20 30 ECEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)NCCn1cnc(C#N)n1 ZINC000286475582 437091118 /nfs/dbraw/zinc/09/11/18/437091118.db2.gz IVZBXDQUKVVGAW-UHFFFAOYSA-N 1 2 338.375 0.807 20 30 ECEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000331676986 437143198 /nfs/dbraw/zinc/14/31/98/437143198.db2.gz OXYSVCSIYVANNC-UKRRQHHQSA-N 1 2 342.465 0.197 20 30 ECEDLO 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/nfs/dbraw/zinc/20/72/22/437207222.db2.gz LJRILXSXIRKBIZ-CABCVRRESA-N 1 2 327.388 0.272 20 30 ECEDLO COc1ccc(C(N)=[NH+]OCc2nnnn2CC2CCOCC2)cc1 ZINC000277451019 437220588 /nfs/dbraw/zinc/22/05/88/437220588.db2.gz HXZJXIGURLEDGK-UHFFFAOYSA-N 1 2 346.391 0.945 20 30 ECEDLO Cc1nc(N2CCN(S(=O)(=O)CC3(CC#N)CC3)CC2)cc[nH+]1 ZINC000333384095 437269348 /nfs/dbraw/zinc/26/93/48/437269348.db2.gz FZPXVHVZLWLCCR-UHFFFAOYSA-N 1 2 335.433 0.931 20 30 ECEDLO Cc1nc(C#N)c(N2CCC(C(=O)N3CC[NH+](CCO)CC3)CC2)o1 ZINC000328677257 437251081 /nfs/dbraw/zinc/25/10/81/437251081.db2.gz ALTDDMUIQHVMTR-UHFFFAOYSA-N 1 2 347.419 0.208 20 30 ECEDLO C#CC[NH+]1CCN(CN2C(=O)C[C@](C)(c3ccccc3)C2=O)CC1 ZINC000179177841 437256175 /nfs/dbraw/zinc/25/61/75/437256175.db2.gz WQLCKHDZTDVQDZ-LJQANCHMSA-N 1 2 325.412 0.912 20 30 ECEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCCN2CCCS2(=O)=O)C1 ZINC000328770417 437261453 /nfs/dbraw/zinc/26/14/53/437261453.db2.gz ADJJDJBZRWNYPA-GFCCVEGCSA-N 1 2 341.437 0.159 20 30 ECEDLO 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/nfs/dbraw/zinc/31/55/79/437315579.db2.gz KRSONDZCGDHDMD-HUUCEWRRSA-N 1 2 344.477 0.689 20 30 ECEDLO Cc1noc(C(C)(C)[NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)n1 ZINC000328872582 437275978 /nfs/dbraw/zinc/27/59/78/437275978.db2.gz DWJJHKXZICMUQT-CQSZACIVSA-N 1 2 348.451 0.895 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCc3nnc4n3CCCCC4)C[C@H]21 ZINC000328900815 437281365 /nfs/dbraw/zinc/28/13/65/437281365.db2.gz YHSSJEAILWBRLA-ZIAGYGMSSA-N 1 2 348.451 0.823 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCc3nnc4n3CCCCC4)C[C@H]21 ZINC000328900815 437281369 /nfs/dbraw/zinc/28/13/69/437281369.db2.gz YHSSJEAILWBRLA-ZIAGYGMSSA-N 1 2 348.451 0.823 20 30 ECEDLO Cn1cc([C@H]2[C@@H](C(=O)NCC[NH+]3CCOCC3)CCC(=O)N2C)cn1 ZINC000329279441 437346222 /nfs/dbraw/zinc/34/62/22/437346222.db2.gz DFYKCVJBSDVXPY-HOCLYGCPSA-N 1 2 349.435 0.618 20 30 ECEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279123590 437376699 /nfs/dbraw/zinc/37/66/99/437376699.db2.gz VABBUFRWNDMYDE-PIGZYNQJSA-N 1 2 341.371 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C[C@@H](Cn1cc[nH+]c1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000289463999 437413880 /nfs/dbraw/zinc/41/38/80/437413880.db2.gz HFZPZQNHIZKKRF-LBPRGKRZSA-N 1 2 347.400 0.238 20 30 ECEDLO Cc1nsc(N2CC[NH+](CCCN3C(=O)CNC3=O)CC2)c1C#N ZINC000289529556 437419930 /nfs/dbraw/zinc/41/99/30/437419930.db2.gz SBNKSPFKGJZEON-UHFFFAOYSA-N 1 2 348.432 0.387 20 30 ECEDLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000329889576 437426157 /nfs/dbraw/zinc/42/61/57/437426157.db2.gz DTIIGIJXEUBWHN-WBMJQRKESA-N 1 2 325.409 0.444 20 30 ECEDLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000329889576 437426159 /nfs/dbraw/zinc/42/61/59/437426159.db2.gz DTIIGIJXEUBWHN-WBMJQRKESA-N 1 2 325.409 0.444 20 30 ECEDLO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)CC1=O ZINC000329894421 437427456 /nfs/dbraw/zinc/42/74/56/437427456.db2.gz BHZQMLMXBJKPRV-RQJABVFESA-N 1 2 331.420 0.958 20 30 ECEDLO C[C@@H]1C[C@@H]1N1C[C@H]([NH+]=C([O-])NC[C@@H]2CCc3[nH+]ccn3C2)CC1=O ZINC000329894421 437427459 /nfs/dbraw/zinc/42/74/59/437427459.db2.gz BHZQMLMXBJKPRV-RQJABVFESA-N 1 2 331.420 0.958 20 30 ECEDLO C[C@@H]1C[C@@H]1N1C[C@H](NC([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)CC1=O ZINC000329894421 437427464 /nfs/dbraw/zinc/42/74/64/437427464.db2.gz BHZQMLMXBJKPRV-RQJABVFESA-N 1 2 331.420 0.958 20 30 ECEDLO COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1 ZINC000337973140 437386321 /nfs/dbraw/zinc/38/63/21/437386321.db2.gz AOPSCAHZPGRCHG-QWHCGFSZSA-N 1 2 346.453 0.034 20 30 ECEDLO Cn1[nH]c(CN2CC[NH+](CC(=O)NC3CCCCC3)CC2)nc1=O ZINC000329593605 437386911 /nfs/dbraw/zinc/38/69/11/437386911.db2.gz OJXUGUUGWWHHEG-UHFFFAOYSA-N 1 2 336.440 0.515 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000183762047 437391333 /nfs/dbraw/zinc/39/13/33/437391333.db2.gz DVDADGAIGNFYNJ-LBPRGKRZSA-N 1 2 332.408 0.307 20 30 ECEDLO CN1CCO[C@@H]2C[N@H+](CC(=O)NC[C@@H]3COc4ccccc4O3)C[C@H]21 ZINC000330249139 437474671 /nfs/dbraw/zinc/47/46/71/437474671.db2.gz GNEGAZNDXLUQGB-CKEIUWERSA-N 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Cc1nnc2n1C[C@H](CNC(=O)N1C[C@@H]3[C@H](C1)OCC[N@@H+]3C)CC2 ZINC000329922640 437433524 /nfs/dbraw/zinc/43/35/24/437433524.db2.gz ICUBKYDBJHHPLM-MJBXVCDLSA-N 1 2 334.424 0.078 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CN1CCCCCC1=O ZINC000343039788 437487173 /nfs/dbraw/zinc/48/71/73/437487173.db2.gz KDRDWJMLTKVGNW-UHFFFAOYSA-N 1 2 336.436 0.463 20 30 ECEDLO CN(C)C(=O)c1cccc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000329958725 437437506 /nfs/dbraw/zinc/43/75/06/437437506.db2.gz QTUNHMADHFFWQU-HUUCEWRRSA-N 1 2 332.404 0.949 20 30 ECEDLO CN(C)C(=O)c1cccc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000329958725 437437508 /nfs/dbraw/zinc/43/75/08/437437508.db2.gz QTUNHMADHFFWQU-HUUCEWRRSA-N 1 2 332.404 0.949 20 30 ECEDLO C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)c1nnc2ccccn21 ZINC000329981615 437441798 /nfs/dbraw/zinc/44/17/98/437441798.db2.gz NQBHQAYXVKCAOX-XQQFMLRXSA-N 1 2 330.392 0.719 20 30 ECEDLO C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)c1nnc2ccccn21 ZINC000329981615 437441808 /nfs/dbraw/zinc/44/18/08/437441808.db2.gz NQBHQAYXVKCAOX-XQQFMLRXSA-N 1 2 330.392 0.719 20 30 ECEDLO CC(=O)N1CC[C@H](NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)C1 ZINC000329997470 437442488 /nfs/dbraw/zinc/44/24/88/437442488.db2.gz QQFDUJFZUQHNMT-KBPBESRZSA-N 1 2 334.424 0.243 20 30 ECEDLO Cn1nc(CCNC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)c2ccccc21 ZINC000330093440 437454266 /nfs/dbraw/zinc/45/42/66/437454266.db2.gz RNNWMRGYZJRQPX-AWEZNQCLSA-N 1 2 344.463 0.865 20 30 ECEDLO Cn1nc(CCNC(=O)NC[C@H]2CN(C)CC[N@H+]2C)c2ccccc21 ZINC000330093440 437454268 /nfs/dbraw/zinc/45/42/68/437454268.db2.gz RNNWMRGYZJRQPX-AWEZNQCLSA-N 1 2 344.463 0.865 20 30 ECEDLO CC(C)(C#N)c1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000186293395 437467186 /nfs/dbraw/zinc/46/71/86/437467186.db2.gz VFENMOHSCFYLEC-UHFFFAOYSA-N 1 2 344.415 0.563 20 30 ECEDLO CC[C@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)C(=O)N1CCOCC1 ZINC000330201452 437468321 /nfs/dbraw/zinc/46/83/21/437468321.db2.gz XUQZQNNLVPUKAL-STQMWFEESA-N 1 2 335.408 0.339 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C[C@H]2C(N)=O)CC1 ZINC000187386595 437501360 /nfs/dbraw/zinc/50/13/60/437501360.db2.gz FIWNKXPJINPCQH-PMPSAXMXSA-N 1 2 349.479 0.265 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](C)C[C@H]2C(N)=O)CC1 ZINC000187386595 437501363 /nfs/dbraw/zinc/50/13/63/437501363.db2.gz FIWNKXPJINPCQH-PMPSAXMXSA-N 1 2 349.479 0.265 20 30 ECEDLO CCOC(=O)[C@@H]1CCCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000330403226 437503081 /nfs/dbraw/zinc/50/30/81/437503081.db2.gz LQZNWYAURVQEEK-ZIAGYGMSSA-N 1 2 327.425 0.896 20 30 ECEDLO CCCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000330434872 437510936 /nfs/dbraw/zinc/51/09/36/437510936.db2.gz LZVHATIIXRMKLT-LBPRGKRZSA-N 1 2 334.424 1.069 20 30 ECEDLO CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000330434872 437510942 /nfs/dbraw/zinc/51/09/42/437510942.db2.gz LZVHATIIXRMKLT-LBPRGKRZSA-N 1 2 334.424 1.069 20 30 ECEDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1coc(S(N)(=O)=O)c1 ZINC000330516453 437535764 /nfs/dbraw/zinc/53/57/64/437535764.db2.gz FKOHTTRWTDICBB-UHFFFAOYSA-N 1 2 331.394 0.342 20 30 ECEDLO CC1(C)COCC[N@H+]1CCNC(=O)c1coc(S(N)(=O)=O)c1 ZINC000330516453 437535769 /nfs/dbraw/zinc/53/57/69/437535769.db2.gz FKOHTTRWTDICBB-UHFFFAOYSA-N 1 2 331.394 0.342 20 30 ECEDLO Cc1nc(N2CC[NH+](CC(=O)N3CCOCC3)CC2)ccc1C#N ZINC000291727674 437623838 /nfs/dbraw/zinc/62/38/38/437623838.db2.gz XJMGCZBJEWMKIS-UHFFFAOYSA-N 1 2 329.404 0.243 20 30 ECEDLO Cn1cc(C[NH+]2CCN(CC(=O)NC(=O)NC(C)(C)C)CC2)cn1 ZINC000330662766 437582528 /nfs/dbraw/zinc/58/25/28/437582528.db2.gz SQKKRPIVRRLEKP-UHFFFAOYSA-N 1 2 336.440 0.366 20 30 ECEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)C1 ZINC000340150001 437586489 /nfs/dbraw/zinc/58/64/89/437586489.db2.gz GGARUVMWVQCRDQ-OAHLLOKOSA-N 1 2 337.383 0.924 20 30 ECEDLO C[C@H](C[S@](C)=O)NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000330830883 437627831 /nfs/dbraw/zinc/62/78/31/437627831.db2.gz JCIUQEMIQWSLJI-SPSFWMDKSA-N 1 2 340.449 0.689 20 30 ECEDLO C#CC[N@@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000192236079 437672901 /nfs/dbraw/zinc/67/29/01/437672901.db2.gz OIEBOZKDRZNSMD-UHFFFAOYSA-N 1 2 335.429 0.975 20 30 ECEDLO C#CC[N@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000192236079 437672906 /nfs/dbraw/zinc/67/29/06/437672906.db2.gz OIEBOZKDRZNSMD-UHFFFAOYSA-N 1 2 335.429 0.975 20 30 ECEDLO COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000354795076 437652247 /nfs/dbraw/zinc/65/22/47/437652247.db2.gz IDEHLKCZNWAEJF-LLVKDONJSA-N 1 2 339.355 0.902 20 30 ECEDLO COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000354795076 437652253 /nfs/dbraw/zinc/65/22/53/437652253.db2.gz IDEHLKCZNWAEJF-LLVKDONJSA-N 1 2 339.355 0.902 20 30 ECEDLO C[C@H](CNC(=O)NC1CCC(S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC000330941986 437653317 /nfs/dbraw/zinc/65/33/17/437653317.db2.gz ZEWBNYIYLSQFNR-IYXRBSQSSA-N 1 2 347.481 0.567 20 30 ECEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CNc2ccc(C#N)cc2)C1 ZINC000354903081 437657690 /nfs/dbraw/zinc/65/76/90/437657690.db2.gz PKQHEHPYIUJNTQ-HNNXBMFYSA-N 1 2 344.415 0.971 20 30 ECEDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CNc2ccc(C#N)cc2)C1 ZINC000354903081 437657697 /nfs/dbraw/zinc/65/76/97/437657697.db2.gz PKQHEHPYIUJNTQ-HNNXBMFYSA-N 1 2 344.415 0.971 20 30 ECEDLO Cn1ncc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1C#N ZINC000354979995 437662615 /nfs/dbraw/zinc/66/26/15/437662615.db2.gz LSAPQHINLJYQRZ-HNNXBMFYSA-N 1 2 335.433 0.229 20 30 ECEDLO CCN1CCN(CC(=O)NC(=O)NCC(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000330982278 437662812 /nfs/dbraw/zinc/66/28/12/437662812.db2.gz JZGNDHGIBLHPDD-ZDUSSCGKSA-N 1 2 336.440 0.775 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[NH+](C3(C(N)=O)CCCCC3)CC2)cn1 ZINC000361526297 437669227 /nfs/dbraw/zinc/66/92/27/437669227.db2.gz YOAHVZZICFSJNH-UHFFFAOYSA-N 1 2 341.415 0.899 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000292408244 437687728 /nfs/dbraw/zinc/68/77/28/437687728.db2.gz YEYKJOYQNCXYEN-GJZGRUSLSA-N 1 2 334.420 0.829 20 30 ECEDLO C=C[C@@H](CO)NC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000292482704 437694345 /nfs/dbraw/zinc/69/43/45/437694345.db2.gz QDYVXXJLGFRERW-QWHCGFSZSA-N 1 2 325.434 0.968 20 30 ECEDLO CC(C)OC[C@@H](CO)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343931970 437700443 /nfs/dbraw/zinc/70/04/43/437700443.db2.gz QJRQRPHLCVMGJN-CQSZACIVSA-N 1 2 341.433 0.445 20 30 ECEDLO CC(C)OC[C@@H](CO)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343931970 437700448 /nfs/dbraw/zinc/70/04/48/437700448.db2.gz QJRQRPHLCVMGJN-CQSZACIVSA-N 1 2 341.433 0.445 20 30 ECEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@H](OCCO)C1 ZINC000331229778 437722243 /nfs/dbraw/zinc/72/22/43/437722243.db2.gz PLJGTSZXTOKSNW-AWEZNQCLSA-N 1 2 329.441 0.485 20 30 ECEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@H](OCCO)C1 ZINC000331229778 437722245 /nfs/dbraw/zinc/72/22/45/437722245.db2.gz PLJGTSZXTOKSNW-AWEZNQCLSA-N 1 2 329.441 0.485 20 30 ECEDLO CCS(=O)(=O)C[C@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000331244658 437725365 /nfs/dbraw/zinc/72/53/65/437725365.db2.gz ZQXNWKOMVHYYRS-QWHCGFSZSA-N 1 2 349.497 0.501 20 30 ECEDLO CCS(=O)(=O)C[C@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000331244658 437725368 /nfs/dbraw/zinc/72/53/68/437725368.db2.gz ZQXNWKOMVHYYRS-QWHCGFSZSA-N 1 2 349.497 0.501 20 30 ECEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000331322927 437739753 /nfs/dbraw/zinc/73/97/53/437739753.db2.gz LWYQYIUXWIOWMJ-JKSUJKDBSA-N 1 2 349.479 0.375 20 30 ECEDLO C=C[C@H](C)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000362671972 437750076 /nfs/dbraw/zinc/75/00/76/437750076.db2.gz QCWJQNUPEZYTKO-AWEZNQCLSA-N 1 2 331.420 0.994 20 30 ECEDLO CNc1cc(N2CCC[C@H]2CNC(=O)c2cnn(C)c2C#N)nc[nH+]1 ZINC000356205949 437754671 /nfs/dbraw/zinc/75/46/71/437754671.db2.gz AKHDENLTBZTLAB-NSHDSACASA-N 1 2 340.391 0.522 20 30 ECEDLO CNc1cc(N2CCC[C@H]2CNC(=O)c2cnn(C)c2C#N)[nH+]cn1 ZINC000356205949 437754674 /nfs/dbraw/zinc/75/46/74/437754674.db2.gz AKHDENLTBZTLAB-NSHDSACASA-N 1 2 340.391 0.522 20 30 ECEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(CC#N)CC1 ZINC000362805242 437755131 /nfs/dbraw/zinc/75/51/31/437755131.db2.gz KQNFCPIWJPLSCI-HNNXBMFYSA-N 1 2 346.435 0.151 20 30 ECEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(CC#N)CC1 ZINC000362805242 437755134 /nfs/dbraw/zinc/75/51/34/437755134.db2.gz KQNFCPIWJPLSCI-HNNXBMFYSA-N 1 2 346.435 0.151 20 30 ECEDLO COc1cc([C@@H](C#N)NC(=O)[C@H]2C[N@H+](C)CCO2)cc(OC)c1OC ZINC000345261942 437785779 /nfs/dbraw/zinc/78/57/79/437785779.db2.gz VTFGWGZZWOKZES-IUODEOHRSA-N 1 2 349.387 0.724 20 30 ECEDLO COc1cc([C@@H](C#N)NC(=O)[C@H]2C[N@@H+](C)CCO2)cc(OC)c1OC ZINC000345261942 437785783 /nfs/dbraw/zinc/78/57/83/437785783.db2.gz VTFGWGZZWOKZES-IUODEOHRSA-N 1 2 349.387 0.724 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000345929526 437800538 /nfs/dbraw/zinc/80/05/38/437800538.db2.gz MCGPZZDOXDXMAZ-KGLIPLIRSA-N 1 2 329.466 0.541 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000345929526 437800543 /nfs/dbraw/zinc/80/05/43/437800543.db2.gz MCGPZZDOXDXMAZ-KGLIPLIRSA-N 1 2 329.466 0.541 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000346382949 437809373 /nfs/dbraw/zinc/80/93/73/437809373.db2.gz KMPALLOVOXFPQO-LBPRGKRZSA-N 1 2 342.465 0.293 20 30 ECEDLO C=CCNC(=O)CN1CCN(c2cc(NCCCC)[nH+]c(N)n2)CC1 ZINC000341471589 437848560 /nfs/dbraw/zinc/84/85/60/437848560.db2.gz PSKXJXAFMAKKKT-UHFFFAOYSA-N 1 2 347.467 0.695 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000370954793 437861647 /nfs/dbraw/zinc/86/16/47/437861647.db2.gz VRNAUSONXUHJBL-TZMCWYRMSA-N 1 2 342.465 0.151 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000370954793 437861652 /nfs/dbraw/zinc/86/16/52/437861652.db2.gz VRNAUSONXUHJBL-TZMCWYRMSA-N 1 2 342.465 0.151 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2cccnc2C#N)CC1 ZINC000357243515 437942351 /nfs/dbraw/zinc/94/23/51/437942351.db2.gz XVYQPBCYXQBMMS-CQSZACIVSA-N 1 2 331.420 0.616 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000357318501 437964942 /nfs/dbraw/zinc/96/49/42/437964942.db2.gz SXVQUSKYUADZRK-UHFFFAOYSA-N 1 2 329.360 0.891 20 30 ECEDLO N#CCNC(=O)CN1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000342192052 437974939 /nfs/dbraw/zinc/97/49/39/437974939.db2.gz IGQGFJMBVQPXAB-UHFFFAOYSA-N 1 2 336.823 0.976 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)nn1 ZINC000424705557 437985374 /nfs/dbraw/zinc/98/53/74/437985374.db2.gz KOVCSRUNLFLHRV-ZDUSSCGKSA-N 1 2 335.408 0.564 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)nn1 ZINC000424716183 437987195 /nfs/dbraw/zinc/98/71/95/437987195.db2.gz BEGAURCJQUXXBM-OAHLLOKOSA-N 1 2 349.435 0.418 20 30 ECEDLO C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc3[nH+]ccn32)C1=O ZINC000357437770 437987612 /nfs/dbraw/zinc/98/76/12/437987612.db2.gz KZRFZXUGUQDKFT-UHFFFAOYSA-N 1 2 327.300 0.250 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[N@@H+](CCC(=O)OC)[C@@H](C)C2)nn1 ZINC000424757302 437988878 /nfs/dbraw/zinc/98/88/78/437988878.db2.gz QPTDEIWHLNZVPN-ZDUSSCGKSA-N 1 2 335.408 0.564 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[N@H+](CCC(=O)OC)[C@@H](C)C2)nn1 ZINC000424757302 437988879 /nfs/dbraw/zinc/98/88/79/437988879.db2.gz QPTDEIWHLNZVPN-ZDUSSCGKSA-N 1 2 335.408 0.564 20 30 ECEDLO N#C[C@H]1CC[C@@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000425429272 438025239 /nfs/dbraw/zinc/02/52/39/438025239.db2.gz YLZCQVQQXPTILS-LSDHHAIUSA-N 1 2 343.435 0.590 20 30 ECEDLO C=CCCOCCNC(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000342918128 438084434 /nfs/dbraw/zinc/08/44/34/438084434.db2.gz HGFZBGSIIJPEOL-UHFFFAOYSA-N 1 2 330.388 0.968 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1CCS(C)(=O)=O ZINC000366377942 438061847 /nfs/dbraw/zinc/06/18/47/438061847.db2.gz NDBUHKLLVWWLSE-LBPRGKRZSA-N 1 2 331.438 0.287 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1CCS(C)(=O)=O ZINC000366377942 438061850 /nfs/dbraw/zinc/06/18/50/438061850.db2.gz NDBUHKLLVWWLSE-LBPRGKRZSA-N 1 2 331.438 0.287 20 30 ECEDLO COCCN(Cc1c[nH+]c2ccc(C#N)cn12)[C@H]1CCS(=O)(=O)C1 ZINC000349276173 438143636 /nfs/dbraw/zinc/14/36/36/438143636.db2.gz IUCWKUWKGDPGRX-AWEZNQCLSA-N 1 2 348.428 0.841 20 30 ECEDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCC2(CC#N)CC2)CC1 ZINC000431187694 438148947 /nfs/dbraw/zinc/14/89/47/438148947.db2.gz QRFSQLFORHAECK-UHFFFAOYSA-N 1 2 335.452 0.876 20 30 ECEDLO C[C@H](O)COC(=O)CC[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000373859580 438172151 /nfs/dbraw/zinc/17/21/51/438172151.db2.gz NQROIMFWVHASAJ-LXIYXOSZSA-N 1 2 343.383 0.646 20 30 ECEDLO C[C@H](O)COC(=O)CC[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000373859580 438172155 /nfs/dbraw/zinc/17/21/55/438172155.db2.gz NQROIMFWVHASAJ-LXIYXOSZSA-N 1 2 343.383 0.646 20 30 ECEDLO CN1CCN(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)C[C@H]1C#N ZINC000375235449 438244143 /nfs/dbraw/zinc/24/41/43/438244143.db2.gz YODTUIKODBXPLE-HUUCEWRRSA-N 1 2 328.420 0.900 20 30 ECEDLO CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)CCC(C)(C)C#N)CC1 ZINC000367363077 438200740 /nfs/dbraw/zinc/20/07/40/438200740.db2.gz LCIUIGPIOUUSBC-UHFFFAOYSA-N 1 2 344.481 0.400 20 30 ECEDLO CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)CCC(C)(C)C#N)CC1 ZINC000367363077 438200745 /nfs/dbraw/zinc/20/07/45/438200745.db2.gz LCIUIGPIOUUSBC-UHFFFAOYSA-N 1 2 344.481 0.400 20 30 ECEDLO CCOC1CC(CNC(=O)c2ccc(C#N)nc2)([NH+]2CCOCC2)C1 ZINC000375512167 438259157 /nfs/dbraw/zinc/25/91/57/438259157.db2.gz HMXZFHRYIRWLCJ-UHFFFAOYSA-N 1 2 344.415 0.953 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(c2c([N+](=O)[O-])c(CC)nn2C)CC1 ZINC000367940306 438268481 /nfs/dbraw/zinc/26/84/81/438268481.db2.gz ZFZNHFGTGSXIKR-UHFFFAOYSA-N 1 2 348.407 0.152 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2c([N+](=O)[O-])c(CC)nn2C)CC1 ZINC000367940306 438268487 /nfs/dbraw/zinc/26/84/87/438268487.db2.gz ZFZNHFGTGSXIKR-UHFFFAOYSA-N 1 2 348.407 0.152 20 30 ECEDLO C#CCCCS(=O)(=O)NC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000376247315 438277275 /nfs/dbraw/zinc/27/72/75/438277275.db2.gz LYLXOSYGFPZQRG-UHFFFAOYSA-N 1 2 341.477 0.406 20 30 ECEDLO 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/nfs/dbraw/zinc/99/69/61/438996961.db2.gz WYEYRGBBRWSLRX-INIZCTEOSA-N 1 2 332.408 0.983 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cc(F)cc(C#N)c2)CCO1 ZINC000602019325 438997932 /nfs/dbraw/zinc/99/79/32/438997932.db2.gz HHQZKNKVJNPWKB-LLVKDONJSA-N 1 2 334.351 0.473 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cc(F)cc(C#N)c2)CCO1 ZINC000602019325 438997937 /nfs/dbraw/zinc/99/79/37/438997937.db2.gz HHQZKNKVJNPWKB-LLVKDONJSA-N 1 2 334.351 0.473 20 30 ECEDLO N#Cc1cc(F)cc(NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000602032703 438999747 /nfs/dbraw/zinc/99/97/47/438999747.db2.gz AKCWSCUNQLBANF-LBPRGKRZSA-N 1 2 327.319 0.964 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000602040146 439001359 /nfs/dbraw/zinc/00/13/59/439001359.db2.gz AQJZLEMKZBINCO-LBPRGKRZSA-N 1 2 348.378 0.815 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(C3CC3)n2C2CC2)CC1 ZINC000566375016 439047502 /nfs/dbraw/zinc/04/75/02/439047502.db2.gz PXXMJWPTBOXIFY-UHFFFAOYSA-N 1 2 330.436 0.915 20 30 ECEDLO N#Cc1cccc(CNC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000597184152 439056243 /nfs/dbraw/zinc/05/62/43/439056243.db2.gz LSPMICJKJLJQLE-INIZCTEOSA-N 1 2 342.399 0.108 20 30 ECEDLO Cc1cccc2c1ncn(CC(=O)N[C@](C)(C#N)C[NH+](C)C)c2=O ZINC000566306271 439040419 /nfs/dbraw/zinc/04/04/19/439040419.db2.gz KVBNUSAOKOROSN-QGZVFWFLSA-N 1 2 327.388 0.665 20 30 ECEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCN(c2snc(C)c2C#N)CC1 ZINC000566770515 439086676 /nfs/dbraw/zinc/08/66/76/439086676.db2.gz AQCZMZHNNDEMHS-AWEZNQCLSA-N 1 2 349.460 0.693 20 30 ECEDLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCN(c2snc(C)c2C#N)CC1 ZINC000566770515 439086678 /nfs/dbraw/zinc/08/66/78/439086678.db2.gz AQCZMZHNNDEMHS-AWEZNQCLSA-N 1 2 349.460 0.693 20 30 ECEDLO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149231 439167520 /nfs/dbraw/zinc/16/75/20/439167520.db2.gz LFMYQWZGRPEVPV-SJCJKPOMSA-N 1 2 328.372 0.711 20 30 ECEDLO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149231 439167524 /nfs/dbraw/zinc/16/75/24/439167524.db2.gz LFMYQWZGRPEVPV-SJCJKPOMSA-N 1 2 328.372 0.711 20 30 ECEDLO CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856965 439145252 /nfs/dbraw/zinc/14/52/52/439145252.db2.gz NIKWFEZBJQGGED-GASCZTMLSA-N 1 2 337.468 0.278 20 30 ECEDLO CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856965 439145257 /nfs/dbraw/zinc/14/52/57/439145257.db2.gz NIKWFEZBJQGGED-GASCZTMLSA-N 1 2 337.468 0.278 20 30 ECEDLO C[C@H]1C[NH+](CCNS(=O)(=O)c2ccccc2)C[C@H](C)N1CC#N ZINC000602855221 439145327 /nfs/dbraw/zinc/14/53/27/439145327.db2.gz GOYWYXBWSRLNSP-GJZGRUSLSA-N 1 2 336.461 0.883 20 30 ECEDLO C[C@H]1C[NH+](CC(=O)N2CC(=O)Nc3ccccc32)C[C@H](C)N1CC#N ZINC000602860004 439147607 /nfs/dbraw/zinc/14/76/07/439147607.db2.gz HJYHNUVEAFCWPX-KBPBESRZSA-N 1 2 341.415 0.890 20 30 ECEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000592147624 439164996 /nfs/dbraw/zinc/16/49/96/439164996.db2.gz MRUBRHRFJDVBJK-SUMWQHHRSA-N 1 2 331.372 0.293 20 30 ECEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000592147624 439165001 /nfs/dbraw/zinc/16/50/01/439165001.db2.gz MRUBRHRFJDVBJK-SUMWQHHRSA-N 1 2 331.372 0.293 20 30 ECEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)C1 ZINC000592150640 439166322 /nfs/dbraw/zinc/16/63/22/439166322.db2.gz FNGFVRVAFPNSSU-QGZVFWFLSA-N 1 2 348.472 0.743 20 30 ECEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)C1 ZINC000592150640 439166327 /nfs/dbraw/zinc/16/63/27/439166327.db2.gz FNGFVRVAFPNSSU-QGZVFWFLSA-N 1 2 348.472 0.743 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC2(O)CCC(C(=O)OCC)CC2)nn1 ZINC000603264822 439222411 /nfs/dbraw/zinc/22/24/11/439222411.db2.gz MKOZELIDHHREMM-UHFFFAOYSA-N 1 2 334.420 0.875 20 30 ECEDLO CNC(=O)C[NH+]1CCN(c2cc(C#N)c(Br)cn2)CC1 ZINC000603268033 439224776 /nfs/dbraw/zinc/22/47/76/439224776.db2.gz DMWMRTIIDIVVTO-UHFFFAOYSA-N 1 2 338.209 0.584 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000592209399 439185274 /nfs/dbraw/zinc/18/52/74/439185274.db2.gz RTCFGTODYRBVPX-ZIAGYGMSSA-N 1 2 337.420 0.527 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000592209399 439185278 /nfs/dbraw/zinc/18/52/78/439185278.db2.gz RTCFGTODYRBVPX-ZIAGYGMSSA-N 1 2 337.420 0.527 20 30 ECEDLO Cn1cc(C[NH+]2CCN(C(=O)Nc3ccn(CCC#N)n3)CC2)cn1 ZINC000524712137 439190675 /nfs/dbraw/zinc/19/06/75/439190675.db2.gz DVLLOOHOJOJIFO-UHFFFAOYSA-N 1 2 342.407 0.880 20 30 ECEDLO COCC[N@H+](C)Cc1cn([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nn1 ZINC000603174994 439202119 /nfs/dbraw/zinc/20/21/19/439202119.db2.gz JOPJRNWUPXKXLI-CJNGLKHVSA-N 1 2 336.440 0.972 20 30 ECEDLO COCC[N@@H+](C)Cc1cn([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nn1 ZINC000603174994 439202124 /nfs/dbraw/zinc/20/21/24/439202124.db2.gz JOPJRNWUPXKXLI-CJNGLKHVSA-N 1 2 336.440 0.972 20 30 ECEDLO N#Cc1ccsc1N1CC[C@@H](n2cc([C@@H]3COCC[NH2+]3)nn2)C1=O ZINC000603191109 439207822 /nfs/dbraw/zinc/20/78/22/439207822.db2.gz AJLOTMFNQZQYDZ-QWHCGFSZSA-N 1 2 344.400 0.850 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CO[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000490650402 439283472 /nfs/dbraw/zinc/28/34/72/439283472.db2.gz MQTKARVBDSORHO-IAGOWNOFSA-N 1 2 349.475 0.865 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CO[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000490650402 439283479 /nfs/dbraw/zinc/28/34/79/439283479.db2.gz MQTKARVBDSORHO-IAGOWNOFSA-N 1 2 349.475 0.865 20 30 ECEDLO C[C@@H](CC#N)C(=O)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000598362473 439255693 /nfs/dbraw/zinc/25/56/93/439255693.db2.gz ANZCFVCERQBWSB-MAUKXSAKSA-N 1 2 331.416 0.916 20 30 ECEDLO C[C@@H](CC#N)C(=O)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000598362473 439255699 /nfs/dbraw/zinc/25/56/99/439255699.db2.gz ANZCFVCERQBWSB-MAUKXSAKSA-N 1 2 331.416 0.916 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2C[S@@](C)=O)CC1 ZINC000491012746 439321823 /nfs/dbraw/zinc/32/18/23/439321823.db2.gz FCSLSTBTRJGAKK-HSZRJFAPSA-N 1 2 333.457 0.754 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2ccnc2[C@H](O)c2ccco2)CC1 ZINC000491038717 439323366 /nfs/dbraw/zinc/32/33/66/439323366.db2.gz KTQDEOGESAWJGK-MRXNPFEDSA-N 1 2 328.372 0.335 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000491126551 439335090 /nfs/dbraw/zinc/33/50/90/439335090.db2.gz PSLJNVQJZAFQTR-INIZCTEOSA-N 1 2 337.370 0.365 20 30 ECEDLO C#CCN(C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)C1CCCC1 ZINC000491128049 439336533 /nfs/dbraw/zinc/33/65/33/439336533.db2.gz YYQCTNLBBVYGNP-HUUCEWRRSA-N 1 2 335.448 0.616 20 30 ECEDLO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@H](C)O1 ZINC000593085208 439337776 /nfs/dbraw/zinc/33/77/76/439337776.db2.gz WHLDQVSBFCIAQG-LXZKKBNFSA-N 1 2 348.399 0.755 20 30 ECEDLO COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@H](C)O1 ZINC000593085208 439337778 /nfs/dbraw/zinc/33/77/78/439337778.db2.gz WHLDQVSBFCIAQG-LXZKKBNFSA-N 1 2 348.399 0.755 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CONC(=O)CCCc2ccccc2)CC1 ZINC000490779781 439297804 /nfs/dbraw/zinc/29/78/04/439297804.db2.gz ZCIJPHROAXBVCW-UHFFFAOYSA-N 1 2 343.427 0.835 20 30 ECEDLO C#CC[N@@H+](CC#CC)CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000490838704 439301699 /nfs/dbraw/zinc/30/16/99/439301699.db2.gz DGFFOHOIGVRISW-UHFFFAOYSA-N 1 2 343.452 0.991 20 30 ECEDLO C#CC[N@H+](CC#CC)CC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000490838704 439301707 /nfs/dbraw/zinc/30/17/07/439301707.db2.gz DGFFOHOIGVRISW-UHFFFAOYSA-N 1 2 343.452 0.991 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN[C@H](C(=O)OC)c2ccccc2)CC1 ZINC000490841681 439302181 /nfs/dbraw/zinc/30/21/81/439302181.db2.gz WRZGTRZGXJLXMZ-KRWDZBQOSA-N 1 2 329.400 0.268 20 30 ECEDLO C#CC[N@@H+](C[C@@H](O)COc1ccccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000490865850 439305428 /nfs/dbraw/zinc/30/54/28/439305428.db2.gz JBESXHASBRQEQH-JKSUJKDBSA-N 1 2 337.441 0.857 20 30 ECEDLO C#CC[N@H+](C[C@@H](O)COc1ccccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000490865850 439305434 /nfs/dbraw/zinc/30/54/34/439305434.db2.gz JBESXHASBRQEQH-JKSUJKDBSA-N 1 2 337.441 0.857 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000490865649 439305762 /nfs/dbraw/zinc/30/57/62/439305762.db2.gz FVRIMQDISDHSIE-IXDOHACOSA-N 1 2 348.491 0.437 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C(C)(C)c2cccnc2)CC1 ZINC000490898177 439309084 /nfs/dbraw/zinc/30/90/84/439309084.db2.gz IFFPPNZOJQLGOQ-UHFFFAOYSA-N 1 2 342.443 0.643 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)c2cccnc2)CC1 ZINC000490898177 439309088 /nfs/dbraw/zinc/30/90/88/439309088.db2.gz IFFPPNZOJQLGOQ-UHFFFAOYSA-N 1 2 342.443 0.643 20 30 ECEDLO C#CCn1ccc(C[N@H+](CC)C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)n1 ZINC000491285821 439363643 /nfs/dbraw/zinc/36/36/43/439363643.db2.gz FQQNYPYGLUWTNX-NUJGCVRESA-N 1 2 334.464 0.808 20 30 ECEDLO C#CCn1ccc(C[N@@H+](CC)C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)n1 ZINC000491285821 439363647 /nfs/dbraw/zinc/36/36/47/439363647.db2.gz FQQNYPYGLUWTNX-NUJGCVRESA-N 1 2 334.464 0.808 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(COCC)n2CCCOCC)CC1 ZINC000491202862 439348066 /nfs/dbraw/zinc/34/80/66/439348066.db2.gz QJLUDWNACIMXMO-UHFFFAOYSA-N 1 2 335.452 0.996 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)NCC2(S(C)(=O)=O)CCCC2)CC1 ZINC000491220684 439351954 /nfs/dbraw/zinc/35/19/54/439351954.db2.gz PNAVTHHDDNAKRD-UHFFFAOYSA-N 1 2 326.462 0.805 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000491554880 439406299 /nfs/dbraw/zinc/40/62/99/439406299.db2.gz MWDTZTRZLPZVGJ-MRXNPFEDSA-N 1 2 348.491 0.391 20 30 ECEDLO N#Cc1cnn2cc(CNc3ccc(N4CCOCC4)c[nH+]3)cnc12 ZINC000570415013 439418940 /nfs/dbraw/zinc/41/89/40/439418940.db2.gz YWBFVVUTWVJNQU-UHFFFAOYSA-N 1 2 335.371 1.445 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccccc2NC)CC1 ZINC000491661166 439420923 /nfs/dbraw/zinc/42/09/23/439420923.db2.gz FFEAXDMXBOQXOH-UHFFFAOYSA-N 1 2 328.416 0.626 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccccc2NC)CC1 ZINC000491661166 439420925 /nfs/dbraw/zinc/42/09/25/439420925.db2.gz FFEAXDMXBOQXOH-UHFFFAOYSA-N 1 2 328.416 0.626 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)Oc2ccccn2)CC1 ZINC000491672407 439423277 /nfs/dbraw/zinc/42/32/77/439423277.db2.gz PDFZUBZBJHZDAQ-OAHLLOKOSA-N 1 2 344.415 0.133 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)Oc2ccccn2)CC1 ZINC000491672407 439423280 /nfs/dbraw/zinc/42/32/80/439423280.db2.gz PDFZUBZBJHZDAQ-OAHLLOKOSA-N 1 2 344.415 0.133 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c(F)c1 ZINC000593651300 439435598 /nfs/dbraw/zinc/43/55/98/439435598.db2.gz DFDJOLRJPWIQTM-GFCCVEGCSA-N 1 2 325.365 0.137 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c(F)c1 ZINC000593651300 439435602 /nfs/dbraw/zinc/43/56/02/439435602.db2.gz DFDJOLRJPWIQTM-GFCCVEGCSA-N 1 2 325.365 0.137 20 30 ECEDLO C#C[C@@H]1COCCN1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000491770872 439446892 /nfs/dbraw/zinc/44/68/92/439446892.db2.gz QNMNIXSQWRMYFV-QZTJIDSGSA-N 1 2 343.427 0.931 20 30 ECEDLO C#C[C@@H]1COCCN1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000491770872 439446895 /nfs/dbraw/zinc/44/68/95/439446895.db2.gz QNMNIXSQWRMYFV-QZTJIDSGSA-N 1 2 343.427 0.931 20 30 ECEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCC1(C#N)CC1 ZINC000570756463 439449550 /nfs/dbraw/zinc/44/95/50/439449550.db2.gz UUFADGUKFXOVRO-UHFFFAOYSA-N 1 2 343.387 0.585 20 30 ECEDLO C#C[C@H]1COCCN1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000491568624 439408475 /nfs/dbraw/zinc/40/84/75/439408475.db2.gz REFUZXUYYJAHOB-HNNXBMFYSA-N 1 2 330.388 0.462 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(F)cc2C#N)CCO1 ZINC000531441173 439510658 /nfs/dbraw/zinc/51/06/58/439510658.db2.gz XKGIGXOKCKNNDT-LLVKDONJSA-N 1 2 334.351 0.473 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(F)cc2C#N)CCO1 ZINC000531441173 439510660 /nfs/dbraw/zinc/51/06/60/439510660.db2.gz XKGIGXOKCKNNDT-LLVKDONJSA-N 1 2 334.351 0.473 20 30 ECEDLO Cc1nc(CN2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)no1 ZINC000530335582 439498523 /nfs/dbraw/zinc/49/85/23/439498523.db2.gz RUETXMOBNSYWQH-GFCCVEGCSA-N 1 2 332.408 0.447 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000599633343 439520929 /nfs/dbraw/zinc/52/09/29/439520929.db2.gz RATMIJMUCDRICJ-MJBXVCDLSA-N 1 2 327.450 0.646 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000599633343 439520934 /nfs/dbraw/zinc/52/09/34/439520934.db2.gz RATMIJMUCDRICJ-MJBXVCDLSA-N 1 2 327.450 0.646 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000533061141 439522148 /nfs/dbraw/zinc/52/21/48/439522148.db2.gz HQZMFGHJSUMPQS-GZBFAFLISA-N 1 2 344.481 0.443 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000533061141 439522152 /nfs/dbraw/zinc/52/21/52/439522152.db2.gz HQZMFGHJSUMPQS-GZBFAFLISA-N 1 2 344.481 0.443 20 30 ECEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000599641729 439525330 /nfs/dbraw/zinc/52/53/30/439525330.db2.gz OYBKVPMBQGYVBK-CQSZACIVSA-N 1 2 328.376 0.975 20 30 ECEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000599641729 439525331 /nfs/dbraw/zinc/52/53/31/439525331.db2.gz OYBKVPMBQGYVBK-CQSZACIVSA-N 1 2 328.376 0.975 20 30 ECEDLO C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000571807392 439532916 /nfs/dbraw/zinc/53/29/16/439532916.db2.gz YYMCLAPOBLWOHA-ZDUSSCGKSA-N 1 2 348.403 0.218 20 30 ECEDLO C[C@@H](O)CNc1cc(N2CCN(c3cnccc3C#N)CC2)nc[nH+]1 ZINC000583981406 439535729 /nfs/dbraw/zinc/53/57/29/439535729.db2.gz CAVJHDTYSVIMBA-CYBMUJFWSA-N 1 2 339.403 0.863 20 30 ECEDLO C[C@@H](O)CNc1cc(N2CCN(c3cnccc3C#N)CC2)[nH+]cn1 ZINC000583981406 439535732 /nfs/dbraw/zinc/53/57/32/439535732.db2.gz CAVJHDTYSVIMBA-CYBMUJFWSA-N 1 2 339.403 0.863 20 30 ECEDLO Cc1nnc([C@@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)o1 ZINC000542617110 439556562 /nfs/dbraw/zinc/55/65/62/439556562.db2.gz PUKLEWIHPSTKMG-OCCSQVGLSA-N 1 2 334.424 0.721 20 30 ECEDLO C[C@](O)(CNS(=O)(=O)CC1(C#N)CCCC1)C[NH+]1CCOCC1 ZINC000544714996 439567269 /nfs/dbraw/zinc/56/72/69/439567269.db2.gz SOOQOQATSPIVMH-AWEZNQCLSA-N 1 2 345.465 0.073 20 30 ECEDLO CCN1C(=O)CO[C@H](C(=O)NCC2(C#N)CC2)[C@H]1c1[nH+]ccn1C ZINC000599876362 439569655 /nfs/dbraw/zinc/56/96/55/439569655.db2.gz GLAVHHHVDUHXDQ-STQMWFEESA-N 1 2 331.376 0.128 20 30 ECEDLO COCC[N@@H+](CCC#N)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000610391814 439611884 /nfs/dbraw/zinc/61/18/84/439611884.db2.gz TVBSNDNUGAUBMK-UHFFFAOYSA-N 1 2 327.406 0.575 20 30 ECEDLO COCC[N@H+](CCC#N)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000610391814 439611886 /nfs/dbraw/zinc/61/18/86/439611886.db2.gz TVBSNDNUGAUBMK-UHFFFAOYSA-N 1 2 327.406 0.575 20 30 ECEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610614976 439631468 /nfs/dbraw/zinc/63/14/68/439631468.db2.gz ZYCCEBODYAFVOY-GARJFASQSA-N 1 2 335.429 0.863 20 30 ECEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610614976 439631470 /nfs/dbraw/zinc/63/14/70/439631470.db2.gz ZYCCEBODYAFVOY-GARJFASQSA-N 1 2 335.429 0.863 20 30 ECEDLO C[C@@]1(C#N)CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000595124375 439657241 /nfs/dbraw/zinc/65/72/41/439657241.db2.gz RHWUGRBAYADAAI-YOEHRIQHSA-N 1 2 334.420 0.072 20 30 ECEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000595127131 439659225 /nfs/dbraw/zinc/65/92/25/439659225.db2.gz ZRXQRLYLHQBXTO-NEPJUHHUSA-N 1 2 348.378 0.861 20 30 ECEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000595127131 439659227 /nfs/dbraw/zinc/65/92/27/439659227.db2.gz ZRXQRLYLHQBXTO-NEPJUHHUSA-N 1 2 348.378 0.861 20 30 ECEDLO COCC[N@H+](CCC#N)C[C@@H](O)Cn1c(-c2ccccc2)noc1=O ZINC000610511777 439622387 /nfs/dbraw/zinc/62/23/87/439622387.db2.gz WRPRVNTVQNADTQ-OAHLLOKOSA-N 1 2 346.387 0.726 20 30 ECEDLO COCC[N@@H+](CCC#N)C[C@@H](O)Cn1c(-c2ccccc2)noc1=O ZINC000610511777 439622392 /nfs/dbraw/zinc/62/23/92/439622392.db2.gz WRPRVNTVQNADTQ-OAHLLOKOSA-N 1 2 346.387 0.726 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cnccc1C#N ZINC000600231795 439626764 /nfs/dbraw/zinc/62/67/64/439626764.db2.gz GLCFPMZAGBMCQU-QGZVFWFLSA-N 1 2 330.388 0.299 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cnccc1C#N ZINC000600231795 439626766 /nfs/dbraw/zinc/62/67/66/439626766.db2.gz GLCFPMZAGBMCQU-QGZVFWFLSA-N 1 2 330.388 0.299 20 30 ECEDLO CCOC(=O)[C@H]1CCCCN1C(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611176312 439678054 /nfs/dbraw/zinc/67/80/54/439678054.db2.gz ZIGMDIKNQYJOJH-OAHLLOKOSA-N 1 2 336.436 0.462 20 30 ECEDLO CN(C)S(=O)(=O)N1CCN(Cc2c[nH+]c3ccc(C#N)cn23)CC1 ZINC000611253968 439684907 /nfs/dbraw/zinc/68/49/07/439684907.db2.gz PRDXNANHCGLDJN-UHFFFAOYSA-N 1 2 348.432 0.130 20 30 ECEDLO COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000613350244 439755385 /nfs/dbraw/zinc/75/53/85/439755385.db2.gz RYGSRTZDCUCZOI-RISCZKNCSA-N 1 2 339.417 0.564 20 30 ECEDLO COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000613350244 439755386 /nfs/dbraw/zinc/75/53/86/439755386.db2.gz RYGSRTZDCUCZOI-RISCZKNCSA-N 1 2 339.417 0.564 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(CC)n2CC2CC2)CC1 ZINC000612644310 439734700 /nfs/dbraw/zinc/73/47/00/439734700.db2.gz YYBSVFALPQDEIK-UHFFFAOYSA-N 1 2 332.452 0.675 20 30 ECEDLO COC(=O)CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000595502673 439735097 /nfs/dbraw/zinc/73/50/97/439735097.db2.gz VOBNTWWKUSWLSJ-KGLIPLIRSA-N 1 2 347.371 0.901 20 30 ECEDLO COC(=O)CC[C@@H](C(=O)OC)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000595502673 439735101 /nfs/dbraw/zinc/73/51/01/439735101.db2.gz VOBNTWWKUSWLSJ-KGLIPLIRSA-N 1 2 347.371 0.901 20 30 ECEDLO C=CCCC(C)(C)CNC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000637195678 440197728 /nfs/dbraw/zinc/19/77/28/440197728.db2.gz FVUJZCSRFBOQIT-CQSZACIVSA-N 1 2 325.453 0.932 20 30 ECEDLO C=CCCC(C)(C)CNC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000637195678 440197740 /nfs/dbraw/zinc/19/77/40/440197740.db2.gz FVUJZCSRFBOQIT-CQSZACIVSA-N 1 2 325.453 0.932 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000634508220 440664048 /nfs/dbraw/zinc/66/40/48/440664048.db2.gz PGVLVQYHVJWISP-KRWDZBQOSA-N 1 2 345.447 0.634 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)nn1 ZINC000629431571 440699817 /nfs/dbraw/zinc/69/98/17/440699817.db2.gz ABTDELSFOLTACR-HNNXBMFYSA-N 1 2 342.403 0.490 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)nn1 ZINC000629431571 440699825 /nfs/dbraw/zinc/69/98/25/440699825.db2.gz ABTDELSFOLTACR-HNNXBMFYSA-N 1 2 342.403 0.490 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2nnc(C)n2C)CC1 ZINC000639974296 440843587 /nfs/dbraw/zinc/84/35/87/440843587.db2.gz KHUJJRSVAFALIX-AWEZNQCLSA-N 1 2 332.452 0.835 20 30 ECEDLO C=CC[N@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H](C)COC ZINC000661241990 440818770 /nfs/dbraw/zinc/81/87/70/440818770.db2.gz GJINLFFYHMIIPJ-GFCCVEGCSA-N 1 2 341.433 0.795 20 30 ECEDLO C=CC[N@@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H](C)COC ZINC000661241990 440818773 /nfs/dbraw/zinc/81/87/73/440818773.db2.gz GJINLFFYHMIIPJ-GFCCVEGCSA-N 1 2 341.433 0.795 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CCNC(=O)NCc2ccccc2)nn1 ZINC000630619341 440925478 /nfs/dbraw/zinc/92/54/78/440925478.db2.gz UELNTLXCEHOEQT-UHFFFAOYSA-N 1 2 326.404 0.890 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)NC[C@H]2Cc3ccccc3O2)nn1 ZINC000640975712 441036552 /nfs/dbraw/zinc/03/65/52/441036552.db2.gz DWXXMEMTMJIWOH-MRXNPFEDSA-N 1 2 339.399 0.511 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc3nc[nH]c(=O)c3n2)CC1 ZINC000641269238 441084934 /nfs/dbraw/zinc/08/49/34/441084934.db2.gz OAMJTQWWXPDGHD-UHFFFAOYSA-N 1 2 328.376 0.155 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(OCC3CC3)cn2)C1 ZINC001077991974 782091861 /nfs/dbraw/zinc/09/18/61/782091861.db2.gz ASZRLTPBSMZQRO-HUUCEWRRSA-N 1 2 330.388 0.064 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(OCC3CC3)cn2)C1 ZINC001077991974 782091869 /nfs/dbraw/zinc/09/18/69/782091869.db2.gz ASZRLTPBSMZQRO-HUUCEWRRSA-N 1 2 330.388 0.064 20 30 ECEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)c1C#N ZINC000535204960 322077997 /nfs/dbraw/zinc/07/79/97/322077997.db2.gz HCDQNHMGUFZDBO-GFCCVEGCSA-N 1 2 337.401 0.598 20 30 ECEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)c1C#N ZINC000535204960 322077999 /nfs/dbraw/zinc/07/79/99/322077999.db2.gz HCDQNHMGUFZDBO-GFCCVEGCSA-N 1 2 337.401 0.598 20 30 ECEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c1C#N ZINC000559551423 322221618 /nfs/dbraw/zinc/22/16/18/322221618.db2.gz DRMBPODYSMNGLX-QGZVFWFLSA-N 1 2 342.355 0.519 20 30 ECEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c1C#N ZINC000559551423 322221620 /nfs/dbraw/zinc/22/16/20/322221620.db2.gz DRMBPODYSMNGLX-QGZVFWFLSA-N 1 2 342.355 0.519 20 30 ECEDLO N#Cc1cnc(CN2CC[NH+](CC(=O)NC3CCCCC3)CC2)nc1 ZINC000563616672 322333535 /nfs/dbraw/zinc/33/35/35/322333535.db2.gz CTBWXDRKLMFHBH-UHFFFAOYSA-N 1 2 342.447 0.915 20 30 ECEDLO CN(C)c1cccnc1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000571159469 322711947 /nfs/dbraw/zinc/71/19/47/322711947.db2.gz NPBJVFIQLOAAFS-UHFFFAOYSA-N 1 2 345.428 0.978 20 30 ECEDLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(c2cccnc2C#N)CC1 ZINC000572808398 322751365 /nfs/dbraw/zinc/75/13/65/322751365.db2.gz GMCSFCMYPUTOCT-CQSZACIVSA-N 1 2 329.404 0.323 20 30 ECEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1cccc(C#N)n1 ZINC000573367780 322760872 /nfs/dbraw/zinc/76/08/72/322760872.db2.gz PBOMBFLWHVYYRZ-OCCSQVGLSA-N 1 2 343.387 0.213 20 30 ECEDLO C#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000155796005 527444258 /nfs/dbraw/zinc/44/42/58/527444258.db2.gz PNKRJOOTMZGTSM-KRWDZBQOSA-N 1 2 341.411 0.930 20 30 ECEDLO Cc1cccc2c(=O)n(CC(=O)NC[C@@H]3C[N@H+](C)CCO3)cnc12 ZINC000328664620 546003721 /nfs/dbraw/zinc/00/37/21/546003721.db2.gz BWHQQWQWAUCELY-CYBMUJFWSA-N 1 2 330.388 0.992 20 30 ECEDLO Cc1cccc2c(=O)n(CC(=O)NC[C@@H]3C[N@@H+](C)CCO3)cnc12 ZINC000328664620 546003723 /nfs/dbraw/zinc/00/37/23/546003723.db2.gz BWHQQWQWAUCELY-CYBMUJFWSA-N 1 2 330.388 0.992 20 30 ECEDLO C[C@@H](CNC(=O)N1CCC(c2nncn2C)CC1)[NH+]1CCOCC1 ZINC000328692996 546004914 /nfs/dbraw/zinc/00/49/14/546004914.db2.gz CJWNOASNOPGULR-ZDUSSCGKSA-N 1 2 336.440 0.629 20 30 ECEDLO O=C(Nc1cnn(-c2ncccn2)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000329811846 546034350 /nfs/dbraw/zinc/03/43/50/546034350.db2.gz RTCYUZYXHGASNJ-AWEZNQCLSA-N 1 2 343.391 0.614 20 30 ECEDLO O=C(NC[C@@H]1CC[C@H](O)C1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329963139 546036703 /nfs/dbraw/zinc/03/67/03/546036703.db2.gz PSFKSJBSENFRSJ-KGLIPLIRSA-N 1 2 337.424 0.702 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cccc(CC#N)c2)[C@@H](C)C1 ZINC000619497900 546334714 /nfs/dbraw/zinc/33/47/14/546334714.db2.gz MSDIWGDPJQILTJ-UONOGXRCSA-N 1 2 337.445 0.828 20 30 ECEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2cccc(CC#N)c2)[C@@H](C)C1 ZINC000619497900 546334717 /nfs/dbraw/zinc/33/47/17/546334717.db2.gz MSDIWGDPJQILTJ-UONOGXRCSA-N 1 2 337.445 0.828 20 30 ECEDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1 ZINC000619712682 546361806 /nfs/dbraw/zinc/36/18/06/546361806.db2.gz CEYOPWDFBJPTMO-HIFRSBDPSA-N 1 2 336.417 0.232 20 30 ECEDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1 ZINC000619712682 546361807 /nfs/dbraw/zinc/36/18/07/546361807.db2.gz CEYOPWDFBJPTMO-HIFRSBDPSA-N 1 2 336.417 0.232 20 30 ECEDLO C=C[C@H](C(=O)OC)N1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000619715828 546363500 /nfs/dbraw/zinc/36/35/00/546363500.db2.gz VJGGKIWXWOESEZ-MRXNPFEDSA-N 1 2 331.416 0.648 20 30 ECEDLO N#CCOc1cccc(NC(=O)N(CCO)CC[NH+]2CCOCC2)c1 ZINC000760009384 579501898 /nfs/dbraw/zinc/50/18/98/579501898.db2.gz UKHRXYYSFAKLJO-UHFFFAOYSA-N 1 2 348.403 0.747 20 30 ECEDLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000126742673 578130667 /nfs/dbraw/zinc/13/06/67/578130667.db2.gz GFFPPVCXCHNCDL-HNNXBMFYSA-N 1 2 328.416 0.928 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000730277865 578304360 /nfs/dbraw/zinc/30/43/60/578304360.db2.gz FRRVTFHBHQFDFM-INIZCTEOSA-N 1 2 349.456 0.320 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000730277865 578304361 /nfs/dbraw/zinc/30/43/61/578304361.db2.gz FRRVTFHBHQFDFM-INIZCTEOSA-N 1 2 349.456 0.320 20 30 ECEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1CC(=O)NCCC#N ZINC000731456962 578312635 /nfs/dbraw/zinc/31/26/35/578312635.db2.gz COFHDDIWWQNVAO-INIZCTEOSA-N 1 2 340.387 0.146 20 30 ECEDLO C[C@@H]1CN(C(=O)C[NH+]2CCN(c3cnccc3C#N)CC2)CCO1 ZINC000795044444 578603243 /nfs/dbraw/zinc/60/32/43/578603243.db2.gz ULAHQXZFFURRSU-CQSZACIVSA-N 1 2 329.404 0.323 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2occ3c2CCC3)CC1 ZINC000796181943 578623335 /nfs/dbraw/zinc/62/33/35/578623335.db2.gz WSHPZJRVJCICJH-UHFFFAOYSA-N 1 2 329.400 0.666 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2occ3c2CCC3)CC1 ZINC000796181943 578623336 /nfs/dbraw/zinc/62/33/36/578623336.db2.gz WSHPZJRVJCICJH-UHFFFAOYSA-N 1 2 329.400 0.666 20 30 ECEDLO Cn1cc[nH+]c1CN1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000780931115 578702791 /nfs/dbraw/zinc/70/27/91/578702791.db2.gz HRZBSKOJRVBGRY-QGZVFWFLSA-N 1 2 339.399 0.670 20 30 ECEDLO O=[N+]([O-])c1ccc(C=NNC(=S)NCC[NH+]2CCOCC2)s1 ZINC000782223857 578721784 /nfs/dbraw/zinc/72/17/84/578721784.db2.gz YWUUBJAVOMUIBO-UHFFFAOYSA-N 1 2 343.434 0.787 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cc(F)ccc2C)CC1 ZINC000782522966 578727075 /nfs/dbraw/zinc/72/70/75/578727075.db2.gz NLCKBSKJFGYYAY-UHFFFAOYSA-N 1 2 325.409 0.719 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000783307954 578741077 /nfs/dbraw/zinc/74/10/77/578741077.db2.gz BRTRLIHRSWZGRI-ZDUSSCGKSA-N 1 2 326.422 0.830 20 30 ECEDLO C#CCOCCNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000785164938 578764439 /nfs/dbraw/zinc/76/44/39/578764439.db2.gz OOZUJMDOHVYQOE-UHFFFAOYSA-N 1 2 326.356 0.792 20 30 ECEDLO C#CCOCCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000785173822 578764552 /nfs/dbraw/zinc/76/45/52/578764552.db2.gz PJSUBFICBCJUBF-UHFFFAOYSA-N 1 2 345.399 0.223 20 30 ECEDLO C#CCCCNC(=O)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000787194692 578801794 /nfs/dbraw/zinc/80/17/94/578801794.db2.gz BDTYGYFPSMVKNF-AWEZNQCLSA-N 1 2 344.415 0.453 20 30 ECEDLO COC(=O)[C@@H]1[C@H](CN(CCC#N)CC[NH+]2CCOCC2)C1(F)F ZINC000787769426 578816217 /nfs/dbraw/zinc/81/62/17/578816217.db2.gz FSCMOEZDTRWLNK-STQMWFEESA-N 1 2 331.363 0.589 20 30 ECEDLO N#CCn1cc(NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cn1 ZINC000789797034 578860232 /nfs/dbraw/zinc/86/02/32/578860232.db2.gz XPPSWFUVEBBFCB-CQSZACIVSA-N 1 2 340.343 0.420 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NCC(=O)OCc2cc[nH+]c(N)c2)cc1 ZINC000791473724 578890155 /nfs/dbraw/zinc/89/01/55/578890155.db2.gz QKCNHTNCCOMWTA-UHFFFAOYSA-N 1 2 346.368 0.557 20 30 ECEDLO S=C(NCCC[NH+]1CCOCC1)NN=Cc1cccc2nccn21 ZINC000771087411 579184412 /nfs/dbraw/zinc/18/44/12/579184412.db2.gz FBVQVIQYAXLMGM-UHFFFAOYSA-N 1 2 346.460 0.855 20 30 ECEDLO C#C[C@H](NC(=O)NCc1ccc[nH+]c1N1CCOCC1)[C@@H]1CCCO1 ZINC000773168034 579221717 /nfs/dbraw/zinc/22/17/17/579221717.db2.gz YKGXKCDSAOPFPV-HOTGVXAUSA-N 1 2 344.415 0.898 20 30 ECEDLO C#C[C@H]([NH2+]CC(=O)Nc1cccc(S(C)(=O)=O)c1)[C@H]1CCCO1 ZINC000775798824 579271495 /nfs/dbraw/zinc/27/14/95/579271495.db2.gz LLSSXMLQTFDKCC-LSDHHAIUSA-N 1 2 336.413 0.799 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)nc1 ZINC000778334305 579308384 /nfs/dbraw/zinc/30/83/84/579308384.db2.gz ITSSFRMSQUOLSO-MRXNPFEDSA-N 1 2 329.400 0.626 20 30 ECEDLO C#CCOc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1 ZINC000778947472 579312739 /nfs/dbraw/zinc/31/27/39/579312739.db2.gz LMPGCDGWQOKPMP-CQSZACIVSA-N 1 2 345.399 0.162 20 30 ECEDLO C#CCOc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1 ZINC000778947472 579312740 /nfs/dbraw/zinc/31/27/40/579312740.db2.gz LMPGCDGWQOKPMP-CQSZACIVSA-N 1 2 345.399 0.162 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000761032192 579519929 /nfs/dbraw/zinc/51/99/29/579519929.db2.gz GGQCIYBZZDSTQM-UHFFFAOYSA-N 1 2 337.445 0.589 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000761032128 579519954 /nfs/dbraw/zinc/51/99/54/579519954.db2.gz YOVKFBRLWVBATM-UHFFFAOYSA-N 1 2 327.837 0.925 20 30 ECEDLO COC(=O)c1cn([C@H]2CCC[N@H+](Cn3cccc(C#N)c3=O)C2)nn1 ZINC000762459841 579542064 /nfs/dbraw/zinc/54/20/64/579542064.db2.gz KVTLOGAACJFNJT-ZDUSSCGKSA-N 1 2 342.359 0.393 20 30 ECEDLO COC(=O)c1cn([C@H]2CCC[N@@H+](Cn3cccc(C#N)c3=O)C2)nn1 ZINC000762459841 579542066 /nfs/dbraw/zinc/54/20/66/579542066.db2.gz KVTLOGAACJFNJT-ZDUSSCGKSA-N 1 2 342.359 0.393 20 30 ECEDLO C[C@H](NC(=O)CO[NH+]=C(N)c1ccc(Cl)cc1)C(=O)N(C)C ZINC000762674698 579545777 /nfs/dbraw/zinc/54/57/77/579545777.db2.gz QCSJYBFENAEZEM-VIFPVBQESA-N 1 2 326.784 0.570 20 30 ECEDLO COc1cccc([C@H](O)C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000764947345 579581255 /nfs/dbraw/zinc/58/12/55/579581255.db2.gz MIUNIDJOZBNASR-KRWDZBQOSA-N 1 2 347.415 0.803 20 30 ECEDLO C#CCSCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000740051941 579728352 /nfs/dbraw/zinc/72/83/52/579728352.db2.gz NKEIYEUFRLICKG-UHFFFAOYSA-N 1 2 347.506 0.161 20 30 ECEDLO CC1(C)C(=NNC(=S)NCC[NH+]2CCOCC2)[C@@H]2CCCO[C@H]21 ZINC000743425829 579797855 /nfs/dbraw/zinc/79/78/55/579797855.db2.gz XYTNGZVBKMTRRQ-GXTWGEPZSA-N 1 2 340.493 0.974 20 30 ECEDLO C#CCNC(=O)[C@@H](C)OC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000744962794 579816821 /nfs/dbraw/zinc/81/68/21/579816821.db2.gz DCKNSQGNDBFDSG-RHSMWYFYSA-N 1 2 344.411 0.866 20 30 ECEDLO C[S@@](=O)CC[NH+]1CCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000746466522 579839853 /nfs/dbraw/zinc/83/98/53/579839853.db2.gz DXMLUHQUJFTDHE-HSZRJFAPSA-N 1 2 340.493 0.325 20 30 ECEDLO C[S@](=O)CC[NH+]1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000746470185 579840080 /nfs/dbraw/zinc/84/00/80/579840080.db2.gz QNEXVLJVVVWNLH-CMJOXMDJSA-N 1 2 334.445 0.081 20 30 ECEDLO C[S@@](=O)CC[NH+]1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000746470186 579840094 /nfs/dbraw/zinc/84/00/94/579840094.db2.gz QNEXVLJVVVWNLH-IQMFZBJNSA-N 1 2 334.445 0.081 20 30 ECEDLO C#CCNC(=O)CO[NH+]=C(N)c1ccc(OC(F)F)c(OC)c1 ZINC000747826319 579854965 /nfs/dbraw/zinc/85/49/65/579854965.db2.gz HQRSMCHQBWRRAK-UHFFFAOYSA-N 1 2 327.287 0.893 20 30 ECEDLO COc1cc[nH+]cc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC000748204343 579857308 /nfs/dbraw/zinc/85/73/08/579857308.db2.gz FWADQCYYLHSDCP-UHFFFAOYSA-N 1 2 346.368 0.767 20 30 ECEDLO N#Cc1cccnc1NCCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000837855981 588963263 /nfs/dbraw/zinc/96/32/63/588963263.db2.gz GRNQOHWBXMLNIF-GASCZTMLSA-N 1 2 344.419 0.528 20 30 ECEDLO N#Cc1cccnc1NCCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000837855981 588963265 /nfs/dbraw/zinc/96/32/65/588963265.db2.gz GRNQOHWBXMLNIF-GASCZTMLSA-N 1 2 344.419 0.528 20 30 ECEDLO C=CC[C@@H]1CCN1C(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C ZINC000890548556 586053748 /nfs/dbraw/zinc/05/37/48/586053748.db2.gz UHXRPRFDYBNCBE-SNPRPXQTSA-N 1 2 332.404 0.886 20 30 ECEDLO COc1ccc(Cn2cc(C[NH2+][C@H]3CCCN(O)C3=O)nn2)cc1 ZINC000895156686 586166866 /nfs/dbraw/zinc/16/68/66/586166866.db2.gz FMGAICJRKGVZDQ-HNNXBMFYSA-N 1 2 331.376 0.805 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000895915782 586212607 /nfs/dbraw/zinc/21/26/07/586212607.db2.gz KEKJXKOZJWKVIJ-ARJAWSKDSA-N 1 2 337.420 0.924 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cccc3c2OCC3)CC1 ZINC000895917059 586212845 /nfs/dbraw/zinc/21/28/45/586212845.db2.gz ASCNGDVQLQZKFR-UHFFFAOYSA-N 1 2 335.429 0.207 20 30 ECEDLO CS(=O)(=O)C[C@@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)CCO1 ZINC000897595227 586348341 /nfs/dbraw/zinc/34/83/41/586348341.db2.gz JNLHUNHYCIAPRA-AWEZNQCLSA-N 1 2 334.401 0.451 20 30 ECEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899052951 586465288 /nfs/dbraw/zinc/46/52/88/586465288.db2.gz JKUOPFXMTKFFAP-AWEZNQCLSA-N 1 2 345.399 0.891 20 30 ECEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899052951 586465290 /nfs/dbraw/zinc/46/52/90/586465290.db2.gz JKUOPFXMTKFFAP-AWEZNQCLSA-N 1 2 345.399 0.891 20 30 ECEDLO Cn1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n(C)c1=O ZINC000899967186 586515507 /nfs/dbraw/zinc/51/55/07/586515507.db2.gz BTCVVIIHEZZNQY-UHFFFAOYSA-N 1 2 339.399 0.553 20 30 ECEDLO CN1CCO[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000899967826 586515719 /nfs/dbraw/zinc/51/57/19/586515719.db2.gz XKFGRNUVGJPABQ-INIZCTEOSA-N 1 2 342.399 0.060 20 30 ECEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000843250154 589056142 /nfs/dbraw/zinc/05/61/42/589056142.db2.gz FCSQAEYLTBUIRA-HUUCEWRRSA-N 1 2 328.416 0.998 20 30 ECEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000843252136 589056564 /nfs/dbraw/zinc/05/65/64/589056564.db2.gz UKBKHJLBKDDRKU-JKSUJKDBSA-N 1 2 335.448 0.427 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1cccc2c1OCC2 ZINC000901129537 586695634 /nfs/dbraw/zinc/69/56/34/586695634.db2.gz DEALGYWGXKZVKZ-UHFFFAOYSA-N 1 2 334.445 0.752 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=C1CCOC12CCCC2 ZINC000901130221 586696501 /nfs/dbraw/zinc/69/65/01/586696501.db2.gz ORVTWBWAGQSEPS-UHFFFAOYSA-N 1 2 326.466 0.872 20 30 ECEDLO C[S@](=O)CC[NH+]1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000838894460 586829958 /nfs/dbraw/zinc/82/99/58/586829958.db2.gz GLXHMJKHDOCELV-QHCPKHFHSA-N 1 2 336.417 0.963 20 30 ECEDLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC1 ZINC000749701020 586867719 /nfs/dbraw/zinc/86/77/19/586867719.db2.gz ACZNCCBMCBUVFV-ZDUSSCGKSA-N 1 2 346.387 0.052 20 30 ECEDLO Cc1cc(C(N)=[NH+]OCC(=O)N=[S@@](C)(=O)N(C)C)ccc1F ZINC000905090322 586867966 /nfs/dbraw/zinc/86/79/66/586867966.db2.gz VHDJPHXUNLRVSF-JOCHJYFZSA-N 1 2 330.385 0.872 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H](C)c2ccncc2)CC1 ZINC000757445087 586888776 /nfs/dbraw/zinc/88/87/76/586888776.db2.gz VZSYJVMAHZEVPB-INIZCTEOSA-N 1 2 342.443 0.859 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](C)c2ccncc2)CC1 ZINC000757445087 586888780 /nfs/dbraw/zinc/88/87/80/586888780.db2.gz VZSYJVMAHZEVPB-INIZCTEOSA-N 1 2 342.443 0.859 20 30 ECEDLO C=CC[C@@H](NC(=O)C(=O)N1CC[NH+](CCOC)CC1)c1ccncc1 ZINC000805809563 586940214 /nfs/dbraw/zinc/94/02/14/586940214.db2.gz UMGURDDAHQXYGK-MRXNPFEDSA-N 1 2 346.431 0.606 20 30 ECEDLO Cc1ccc(C(=O)O[C@H](C)C(=O)NCC[NH+]2CCOCC2)cc1C#N ZINC000805967843 586949073 /nfs/dbraw/zinc/94/90/73/586949073.db2.gz AYXAFSQUCMUQRH-CQSZACIVSA-N 1 2 345.399 0.860 20 30 ECEDLO C[C@H](OC(=O)c1ccc(C#N)s1)C(=O)NCC[NH+]1CCOCC1 ZINC000805973688 586950392 /nfs/dbraw/zinc/95/03/92/586950392.db2.gz NINXDQNVLSOYQW-NSHDSACASA-N 1 2 337.401 0.613 20 30 ECEDLO COC(=O)[C@H]1CC(=O)N(C[NH+]2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000799942976 586961104 /nfs/dbraw/zinc/96/11/04/586961104.db2.gz KBRGYZYXTQWUJX-AWEZNQCLSA-N 1 2 342.399 0.918 20 30 ECEDLO C#CC[N@@H+](CC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000800355160 586964444 /nfs/dbraw/zinc/96/44/44/586964444.db2.gz ALCUFRBDDWCXFN-CQSZACIVSA-N 1 2 342.461 0.976 20 30 ECEDLO C#CC[N@H+](CC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000800355160 586964445 /nfs/dbraw/zinc/96/44/45/586964445.db2.gz ALCUFRBDDWCXFN-CQSZACIVSA-N 1 2 342.461 0.976 20 30 ECEDLO C[C@H](C#N)OCC[NH+]1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000801910747 587006076 /nfs/dbraw/zinc/00/60/76/587006076.db2.gz WPICOHFTIAYRNR-MRXNPFEDSA-N 1 2 330.432 0.849 20 30 ECEDLO C[C@@H](C#N)OCC[N@@H+]1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000801935142 587006409 /nfs/dbraw/zinc/00/64/09/587006409.db2.gz WXSABFBAOIVTLT-UONOGXRCSA-N 1 2 343.383 0.912 20 30 ECEDLO C[C@@H](C#N)OCC[N@H+]1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000801935142 587006410 /nfs/dbraw/zinc/00/64/10/587006410.db2.gz WXSABFBAOIVTLT-UONOGXRCSA-N 1 2 343.383 0.912 20 30 ECEDLO C[C@H](CNS(=O)(=O)c1ccc(C#N)cn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000907267882 587031288 /nfs/dbraw/zinc/03/12/88/587031288.db2.gz MWMLYVBDWYEHDP-UPJWGTAASA-N 1 2 338.433 0.729 20 30 ECEDLO C[C@H](CNS(=O)(=O)c1ccc(C#N)cn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000907267882 587031290 /nfs/dbraw/zinc/03/12/90/587031290.db2.gz MWMLYVBDWYEHDP-UPJWGTAASA-N 1 2 338.433 0.729 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)c1nc(-c2ccccc2)no1 ZINC000804123021 587079855 /nfs/dbraw/zinc/07/98/55/587079855.db2.gz MADDQIWHKQZESI-GJZGRUSLSA-N 1 2 340.383 0.984 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)c1nc(-c2ccccc2)no1 ZINC000804123021 587079857 /nfs/dbraw/zinc/07/98/57/587079857.db2.gz MADDQIWHKQZESI-GJZGRUSLSA-N 1 2 340.383 0.984 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)c1 ZINC000807067021 587117980 /nfs/dbraw/zinc/11/79/80/587117980.db2.gz SOEZXYASHNGOEP-QGZVFWFLSA-N 1 2 329.400 0.626 20 30 ECEDLO C#C[C@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(C)(C)C ZINC000808268228 587151459 /nfs/dbraw/zinc/15/14/59/587151459.db2.gz GTSGTWWYSXRCGE-AWEZNQCLSA-N 1 2 343.493 0.843 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[C@@H]1CCCO1 ZINC000809303834 587173244 /nfs/dbraw/zinc/17/32/44/587173244.db2.gz BZMYALKMHVMKSF-KGLIPLIRSA-N 1 2 330.388 0.413 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)[C@@H]1CCCO1 ZINC000809307682 587174065 /nfs/dbraw/zinc/17/40/65/587174065.db2.gz CDTZPGPLGUFODH-IHRRRGAJSA-N 1 2 330.388 0.760 20 30 ECEDLO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(F)(F)C(F)F ZINC000818594660 587439699 /nfs/dbraw/zinc/43/96/99/587439699.db2.gz LCFHOGUWUIPPIL-ZCFIWIBFSA-N 1 2 325.228 0.839 20 30 ECEDLO C#CCCN(CCOC)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000821504697 587596145 /nfs/dbraw/zinc/59/61/45/587596145.db2.gz HWNJNPZQVAFOMV-UHFFFAOYSA-N 1 2 349.435 0.719 20 30 ECEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821597755 587604345 /nfs/dbraw/zinc/60/43/45/587604345.db2.gz GLTZVWUFDVNLLA-LLVKDONJSA-N 1 2 347.335 0.360 20 30 ECEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821597755 587604347 /nfs/dbraw/zinc/60/43/47/587604347.db2.gz GLTZVWUFDVNLLA-LLVKDONJSA-N 1 2 347.335 0.360 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000822811326 587681517 /nfs/dbraw/zinc/68/15/17/587681517.db2.gz WEADRZOVRORBKU-UHFFFAOYSA-N 1 2 341.419 0.915 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@@H+](CCC)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000823456949 587721726 /nfs/dbraw/zinc/72/17/26/587721726.db2.gz SMZVVCFNLZPITD-OAHLLOKOSA-N 1 2 336.436 0.228 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@H+](CCC)[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000823456949 587721728 /nfs/dbraw/zinc/72/17/28/587721728.db2.gz SMZVVCFNLZPITD-OAHLLOKOSA-N 1 2 336.436 0.228 20 30 ECEDLO C=CCn1cc(CNC(=O)C(=O)Nc2ccc(C)[nH+]c2N(C)C)nn1 ZINC000824610769 587882014 /nfs/dbraw/zinc/88/20/14/587882014.db2.gz WXCVHYVITAQPHI-UHFFFAOYSA-N 1 2 343.391 0.488 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C/c1ccc(C(N)=O)o1 ZINC000824902155 587902211 /nfs/dbraw/zinc/90/22/11/587902211.db2.gz SEMVUEYSLZIHKJ-HWKANZROSA-N 1 2 346.387 0.466 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2onc3c2CCCC3)CC1 ZINC000826551128 588069643 /nfs/dbraw/zinc/06/96/43/588069643.db2.gz YNBBSDJIFCITJE-UHFFFAOYSA-N 1 2 344.415 0.451 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2onc3c2CCCC3)CC1 ZINC000826551128 588069645 /nfs/dbraw/zinc/06/96/45/588069645.db2.gz YNBBSDJIFCITJE-UHFFFAOYSA-N 1 2 344.415 0.451 20 30 ECEDLO C#Cc1cnc(N2CC[NH+](CC(=O)NCc3ccccc3)CC2)nc1 ZINC000827343455 588113662 /nfs/dbraw/zinc/11/36/62/588113662.db2.gz YQQCGGUWPXDUMK-UHFFFAOYSA-N 1 2 335.411 0.896 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3cn(C)nn3)n2CC(C)C)CC1 ZINC000829504103 588327611 /nfs/dbraw/zinc/32/76/11/588327611.db2.gz MBOJJHDNGVFKTO-UHFFFAOYSA-N 1 2 328.424 0.485 20 30 ECEDLO CCOC(=O)N1CCC(NC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000829975040 588351312 /nfs/dbraw/zinc/35/13/12/588351312.db2.gz NQLCZBFSDJDJIO-INIZCTEOSA-N 1 2 338.408 0.074 20 30 ECEDLO CCOC(=O)N1CCC(NC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000829975040 588351314 /nfs/dbraw/zinc/35/13/14/588351314.db2.gz NQLCZBFSDJDJIO-INIZCTEOSA-N 1 2 338.408 0.074 20 30 ECEDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@](O)(CC#N)C1)cc2=O ZINC000829987467 588352391 /nfs/dbraw/zinc/35/23/91/588352391.db2.gz DZQZWYIZDKSXCB-INIZCTEOSA-N 1 2 345.359 0.462 20 30 ECEDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@@](O)(CC#N)C1)cc2=O ZINC000829987467 588352393 /nfs/dbraw/zinc/35/23/93/588352393.db2.gz DZQZWYIZDKSXCB-INIZCTEOSA-N 1 2 345.359 0.462 20 30 ECEDLO N#CC[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C(F)(F)F ZINC000830204955 588365453 /nfs/dbraw/zinc/36/54/53/588365453.db2.gz QRGYWOBJUMSDTL-GRYCIOLGSA-N 1 2 335.326 0.827 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(CC(=O)OC(C)(C)C)CC2CC2)CC1 ZINC000844406312 589110310 /nfs/dbraw/zinc/11/03/10/589110310.db2.gz BOVYAIQRCOJEMF-UHFFFAOYSA-N 1 2 349.475 0.818 20 30 ECEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)C[C@H](O)c1cccc(C#N)c1 ZINC000844956625 589126854 /nfs/dbraw/zinc/12/68/54/589126854.db2.gz DTAWIJCRVIDRET-YOEHRIQHSA-N 1 2 346.431 0.954 20 30 ECEDLO C[C@H]1COCC[N@H+]1CCNC(=O)N(C)C[C@H](O)c1cccc(C#N)c1 ZINC000844956625 589126855 /nfs/dbraw/zinc/12/68/55/589126855.db2.gz DTAWIJCRVIDRET-YOEHRIQHSA-N 1 2 346.431 0.954 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)CC1 ZINC000847489542 589251206 /nfs/dbraw/zinc/25/12/06/589251206.db2.gz PHCUAQOWFCRNGX-IBGZPJMESA-N 1 2 325.412 0.612 20 30 ECEDLO C#C[C@H]1CCC[N@@H+](CN2C(=O)N[C@](CC)(c3cnn(C)c3)C2=O)C1 ZINC000848494110 589298257 /nfs/dbraw/zinc/29/82/57/589298257.db2.gz UWXNBLKRDYCSBM-SUMWQHHRSA-N 1 2 329.404 0.880 20 30 ECEDLO C#C[C@H]1CCC[N@H+](CN2C(=O)N[C@](CC)(c3cnn(C)c3)C2=O)C1 ZINC000848494110 589298258 /nfs/dbraw/zinc/29/82/58/589298258.db2.gz UWXNBLKRDYCSBM-SUMWQHHRSA-N 1 2 329.404 0.880 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(/C=C\C(=O)OC)o2)CC1 ZINC000848879860 589314561 /nfs/dbraw/zinc/31/45/61/589314561.db2.gz FONTZRLCNKQIGP-SREVYHEPSA-N 1 2 347.415 0.886 20 30 ECEDLO C#CCN1C(=O)C[C@H]([N@H+]2C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C2)C1=O ZINC000849180693 589322152 /nfs/dbraw/zinc/32/21/52/589322152.db2.gz WYOSQCSUSHFFJQ-VWYCJHECSA-N 1 2 346.305 0.421 20 30 ECEDLO C#CCN1C(=O)C[C@H]([N@@H+]2C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C2)C1=O ZINC000849180693 589322154 /nfs/dbraw/zinc/32/21/54/589322154.db2.gz WYOSQCSUSHFFJQ-VWYCJHECSA-N 1 2 346.305 0.421 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(C(=O)OC)c(C)c2)CC1 ZINC000849982377 589354573 /nfs/dbraw/zinc/35/45/73/589354573.db2.gz PPLBEFJVPICRLU-UHFFFAOYSA-N 1 2 330.384 0.938 20 30 ECEDLO C#CCOCC[NH+]1CCN(S(=O)(=O)N(CCC)CCC)CC1 ZINC000851982804 589435796 /nfs/dbraw/zinc/43/57/96/589435796.db2.gz OEBZKFNKUWSGFQ-UHFFFAOYSA-N 1 2 331.482 0.621 20 30 ECEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC000852329097 589491329 /nfs/dbraw/zinc/49/13/29/589491329.db2.gz TYZXWSJGGDJNCJ-QGZVFWFLSA-N 1 2 327.388 0.881 20 30 ECEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC000852329097 589491331 /nfs/dbraw/zinc/49/13/31/589491331.db2.gz TYZXWSJGGDJNCJ-QGZVFWFLSA-N 1 2 327.388 0.881 20 30 ECEDLO COCC[N@H+](CCF)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000852481102 589498012 /nfs/dbraw/zinc/49/80/12/589498012.db2.gz HPORCSNVYILCOL-HNNXBMFYSA-N 1 2 328.432 0.597 20 30 ECEDLO COCC[N@@H+](CCF)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000852481102 589498014 /nfs/dbraw/zinc/49/80/14/589498014.db2.gz HPORCSNVYILCOL-HNNXBMFYSA-N 1 2 328.432 0.597 20 30 ECEDLO CO[C@H](C=NNC(=S)NCC[NH+]1CCOCC1)C1CCCC1 ZINC000853263240 589539382 /nfs/dbraw/zinc/53/93/82/589539382.db2.gz CWUCVPDUXSKSNQ-CQSZACIVSA-N 1 2 328.482 0.974 20 30 ECEDLO N#Cc1cccnc1NCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000853481940 589543736 /nfs/dbraw/zinc/54/37/36/589543736.db2.gz NGBMZQXTYXTZED-OAHLLOKOSA-N 1 2 344.419 0.481 20 30 ECEDLO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CCC[C@H](CC#N)C2)c1=O ZINC000853525575 589546380 /nfs/dbraw/zinc/54/63/80/589546380.db2.gz GCFUZLOMLUZTMY-CQSZACIVSA-N 1 2 345.403 0.127 20 30 ECEDLO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CCC[C@H](CC#N)C2)c1=O ZINC000853525575 589546381 /nfs/dbraw/zinc/54/63/81/589546381.db2.gz GCFUZLOMLUZTMY-CQSZACIVSA-N 1 2 345.403 0.127 20 30 ECEDLO N#Cc1cccc(C(=O)N2Cc3ccc[nH+]c3N3C[C@H](O)C[C@H]3C2)n1 ZINC000856613684 589668742 /nfs/dbraw/zinc/66/87/42/589668742.db2.gz IKBLFIJVHRDEIJ-LSDHHAIUSA-N 1 2 335.367 0.944 20 30 ECEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2occc2C(=O)OC)CC1 ZINC000866744307 589766598 /nfs/dbraw/zinc/76/65/98/589766598.db2.gz HPOVCEVKIKCWJS-UHFFFAOYSA-N 1 2 328.390 0.995 20 30 ECEDLO C=CC[C@@H](NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)c1ccncc1 ZINC000866794270 589778123 /nfs/dbraw/zinc/77/81/23/589778123.db2.gz IOUJAHJBSADVAB-HUUCEWRRSA-N 1 2 325.434 0.949 20 30 ECEDLO C=CC[C@@H](NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)c1ccncc1 ZINC000866794270 589778124 /nfs/dbraw/zinc/77/81/24/589778124.db2.gz IOUJAHJBSADVAB-HUUCEWRRSA-N 1 2 325.434 0.949 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)OCCC(F)(F)F)CC1 ZINC000866810478 589780858 /nfs/dbraw/zinc/78/08/58/589780858.db2.gz SXUDWELIYMUQFS-UHFFFAOYSA-N 1 2 335.326 0.833 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)OCCC(F)(F)F)CC1 ZINC000866810478 589780860 /nfs/dbraw/zinc/78/08/60/589780860.db2.gz SXUDWELIYMUQFS-UHFFFAOYSA-N 1 2 335.326 0.833 20 30 ECEDLO C#CC[C@H](COC)NC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000858925015 589783277 /nfs/dbraw/zinc/78/32/77/589783277.db2.gz XEDRFWWXRNHZOX-IAGOWNOFSA-N 1 2 346.431 0.620 20 30 ECEDLO C#CC[C@H](COC)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000858925015 589783279 /nfs/dbraw/zinc/78/32/79/589783279.db2.gz XEDRFWWXRNHZOX-IAGOWNOFSA-N 1 2 346.431 0.620 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC000859216038 589808765 /nfs/dbraw/zinc/80/87/65/589808765.db2.gz WPUZYJNYKLTPCB-UHFFFAOYSA-N 1 2 332.429 0.452 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000859224630 589809476 /nfs/dbraw/zinc/80/94/76/589809476.db2.gz FPJYANHXDKBNJP-HNNXBMFYSA-N 1 2 349.475 0.864 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000859224630 589809478 /nfs/dbraw/zinc/80/94/78/589809478.db2.gz FPJYANHXDKBNJP-HNNXBMFYSA-N 1 2 349.475 0.864 20 30 ECEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCN(c2ccc(C#N)cc2)CC1 ZINC000868812035 589928584 /nfs/dbraw/zinc/92/85/84/589928584.db2.gz SLQRSHIZGULMAR-QGZVFWFLSA-N 1 2 343.431 0.720 20 30 ECEDLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCN(c2ccc(C#N)cc2)CC1 ZINC000868812035 589928587 /nfs/dbraw/zinc/92/85/87/589928587.db2.gz SLQRSHIZGULMAR-QGZVFWFLSA-N 1 2 343.431 0.720 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000862190463 589929351 /nfs/dbraw/zinc/92/93/51/589929351.db2.gz UHODWHKSAQWKCJ-ZDUSSCGKSA-N 1 2 341.371 0.750 20 30 ECEDLO C#CCCCCCOC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000869495817 589968391 /nfs/dbraw/zinc/96/83/91/589968391.db2.gz BYEOHOPDQITSNF-MRXNPFEDSA-N 1 2 336.432 0.904 20 30 ECEDLO C[C@@H](C(=O)N1CCN(c2ccc(C#N)cc2)CC1)[NH+]1CCN(C)CC1 ZINC000870094815 590000015 /nfs/dbraw/zinc/00/00/15/590000015.db2.gz YHHBGYMKZOBZPL-INIZCTEOSA-N 1 2 341.459 0.843 20 30 ECEDLO C=CCN1CCN(C[N@H+]2CCC[C@@H](CS(=O)(=O)NC)C2)C1=O ZINC000863342121 590006828 /nfs/dbraw/zinc/00/68/28/590006828.db2.gz ZFTJZYQOGAGGEC-CYBMUJFWSA-N 1 2 330.454 0.129 20 30 ECEDLO C=CCN1CCN(C[N@@H+]2CCC[C@@H](CS(=O)(=O)NC)C2)C1=O ZINC000863342121 590006830 /nfs/dbraw/zinc/00/68/30/590006830.db2.gz ZFTJZYQOGAGGEC-CYBMUJFWSA-N 1 2 330.454 0.129 20 30 ECEDLO Cc1cccc(C#N)c1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000872476397 590119903 /nfs/dbraw/zinc/11/99/03/590119903.db2.gz WIIMPMKEMXBTOP-KGLIPLIRSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cccc(C#N)c1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000872476397 590119905 /nfs/dbraw/zinc/11/99/05/590119905.db2.gz WIIMPMKEMXBTOP-KGLIPLIRSA-N 1 2 337.445 0.942 20 30 ECEDLO C=CC(C)(C)CCCNC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000875062077 590266763 /nfs/dbraw/zinc/26/67/63/590266763.db2.gz OTPKEURRKDCAGJ-CQSZACIVSA-N 1 2 325.453 0.932 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000875598993 590312655 /nfs/dbraw/zinc/31/26/55/590312655.db2.gz MZWZJWLKNXUWKZ-XHSDSOJGSA-N 1 2 346.431 0.837 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000875599721 590313080 /nfs/dbraw/zinc/31/30/80/590313080.db2.gz LTCWHNXSICVEFW-HUUCEWRRSA-N 1 2 332.404 0.591 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000875601688 590313783 /nfs/dbraw/zinc/31/37/83/590313783.db2.gz QCPWALPIQZXMFJ-HNNXBMFYSA-N 1 2 344.415 0.275 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000875602683 590313981 /nfs/dbraw/zinc/31/39/81/590313981.db2.gz JNYDJOKWRJACJM-QGZVFWFLSA-N 1 2 343.427 0.485 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000875919884 590346386 /nfs/dbraw/zinc/34/63/86/590346386.db2.gz QRMHFZBYQNXECD-INIZCTEOSA-N 1 2 333.436 0.676 20 30 ECEDLO COc1ccc(NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1C#N ZINC000880877233 590425707 /nfs/dbraw/zinc/42/57/07/590425707.db2.gz CNBHFDYOPVHJJL-OAHLLOKOSA-N 1 2 348.403 0.724 20 30 ECEDLO COCCOCC[NH+]1CCN(C(=O)Nc2cccc(CC#N)n2)CC1 ZINC000881143015 590438531 /nfs/dbraw/zinc/43/85/31/590438531.db2.gz RSFYYAHUECPOQG-UHFFFAOYSA-N 1 2 347.419 0.960 20 30 ECEDLO CC(=O)[C@@](C#N)(CC[NH+]1CCN(C(=O)[C@@H](C)O)CC1)c1ccccc1 ZINC000878331617 590516686 /nfs/dbraw/zinc/51/66/86/590516686.db2.gz WVROTRJKADFEFW-BEFAXECRSA-N 1 2 343.427 0.952 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)n1cc(C[NH+]2CCC(O)CC2)nn1 ZINC000883991176 590696976 /nfs/dbraw/zinc/69/69/76/590696976.db2.gz SYMITEYESRWFGQ-AWEZNQCLSA-N 1 2 333.436 0.996 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)C2(C(=O)OCC)CCC2)C1 ZINC000885508676 590728980 /nfs/dbraw/zinc/72/89/80/590728980.db2.gz JMZMHNMOBJKQIX-ZDUSSCGKSA-N 1 2 328.434 0.489 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)C2(C(=O)OCC)CCC2)C1 ZINC000885508676 590728985 /nfs/dbraw/zinc/72/89/85/590728985.db2.gz JMZMHNMOBJKQIX-ZDUSSCGKSA-N 1 2 328.434 0.489 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2c[nH]nc2C(F)(F)F)C1 ZINC000885507988 590729401 /nfs/dbraw/zinc/72/94/01/590729401.db2.gz ASZFQOYQHYXZOE-SECBINFHSA-N 1 2 336.339 0.804 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2c[nH]nc2C(F)(F)F)C1 ZINC000885507988 590729403 /nfs/dbraw/zinc/72/94/03/590729403.db2.gz ASZFQOYQHYXZOE-SECBINFHSA-N 1 2 336.339 0.804 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2c(C)nn(C)c2Cl)C1 ZINC000885512870 590730372 /nfs/dbraw/zinc/73/03/72/590730372.db2.gz ZLPQTHZKNLEEAV-NSHDSACASA-N 1 2 330.841 0.758 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2c(C)nn(C)c2Cl)C1 ZINC000885512870 590730373 /nfs/dbraw/zinc/73/03/73/590730373.db2.gz ZLPQTHZKNLEEAV-NSHDSACASA-N 1 2 330.841 0.758 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccccc1N1CCOCC1 ZINC000884191611 590769434 /nfs/dbraw/zinc/76/94/34/590769434.db2.gz IPFFULVTUCIYQG-HNNXBMFYSA-N 1 2 347.415 0.586 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)NCC2(S(C)(=O)=O)CCC2)C1 ZINC000884311509 590801834 /nfs/dbraw/zinc/80/18/34/590801834.db2.gz DIYSSTLIJNCXDI-ZDUSSCGKSA-N 1 2 327.450 0.351 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NCC2(S(C)(=O)=O)CCC2)C1 ZINC000884311509 590801836 /nfs/dbraw/zinc/80/18/36/590801836.db2.gz DIYSSTLIJNCXDI-ZDUSSCGKSA-N 1 2 327.450 0.351 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@]1(C)COc2ccccc2O1 ZINC000884428538 590826201 /nfs/dbraw/zinc/82/62/01/590826201.db2.gz GLKUPNKSOKDJHX-SJCJKPOMSA-N 1 2 334.372 0.779 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(c2nc(N)[nH+]c(C3CC3)n2)CC1 ZINC000887621902 590982762 /nfs/dbraw/zinc/98/27/62/590982762.db2.gz BGGDJFYHSOCPJB-OLZOCXBDSA-N 1 2 344.419 0.571 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(c2nc(N)nc(C3CC3)[nH+]2)CC1 ZINC000887621902 590982767 /nfs/dbraw/zinc/98/27/67/590982767.db2.gz BGGDJFYHSOCPJB-OLZOCXBDSA-N 1 2 344.419 0.571 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000890366531 591152241 /nfs/dbraw/zinc/15/22/41/591152241.db2.gz AIWLUIUIGCEVPX-ZFWWWQNUSA-N 1 2 347.440 0.912 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000890366531 591152244 /nfs/dbraw/zinc/15/22/44/591152244.db2.gz AIWLUIUIGCEVPX-ZFWWWQNUSA-N 1 2 347.440 0.912 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1nncn1C ZINC000947175550 611450349 /nfs/dbraw/zinc/45/03/49/611450349.db2.gz SIBBJQQKHPQCBK-YPMHNXCESA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1Cc1nncn1C ZINC000947175550 611450353 /nfs/dbraw/zinc/45/03/53/611450353.db2.gz SIBBJQQKHPQCBK-YPMHNXCESA-N 1 2 327.392 0.798 20 30 ECEDLO COC1(OC)CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C[C@@H]1O ZINC000931642292 611560693 /nfs/dbraw/zinc/56/06/93/611560693.db2.gz PHMPYCLFWSLHCJ-DOMZBBRYSA-N 1 2 333.388 0.941 20 30 ECEDLO COC1(OC)CC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C[C@@H]1O ZINC000931642292 611560694 /nfs/dbraw/zinc/56/06/94/611560694.db2.gz PHMPYCLFWSLHCJ-DOMZBBRYSA-N 1 2 333.388 0.941 20 30 ECEDLO CC[C@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1cccc(C#N)c1O ZINC000926799150 611568170 /nfs/dbraw/zinc/56/81/70/611568170.db2.gz ALGWZETWQOBYDP-MAUKXSAKSA-N 1 2 345.399 0.932 20 30 ECEDLO CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000937351838 608612994 /nfs/dbraw/zinc/61/29/94/608612994.db2.gz HBTOAGXLTWCVLO-RDJZCZTQSA-N 1 2 340.427 0.918 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3n[nH]c4c3CCC4)CC2)C1 ZINC000949406142 608670394 /nfs/dbraw/zinc/67/03/94/608670394.db2.gz SKTNIAMSSXCETP-UHFFFAOYSA-N 1 2 328.416 0.839 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3n[nH]c4c3CCC4)CC2)C1 ZINC000949406142 608670396 /nfs/dbraw/zinc/67/03/96/608670396.db2.gz SKTNIAMSSXCETP-UHFFFAOYSA-N 1 2 328.416 0.839 20 30 ECEDLO CC[C@@H]1C(=O)NCCC[N@H+]1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000933216245 608727595 /nfs/dbraw/zinc/72/75/95/608727595.db2.gz GJJOJHMDWXFLGX-HZPDHXFCSA-N 1 2 349.479 0.279 20 30 ECEDLO CC[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000933216245 608727598 /nfs/dbraw/zinc/72/75/98/608727598.db2.gz GJJOJHMDWXFLGX-HZPDHXFCSA-N 1 2 349.479 0.279 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@](CO)(NC(=O)OC(C)(C)C)C1 ZINC000932696709 611657129 /nfs/dbraw/zinc/65/71/29/611657129.db2.gz WUAHBCOOGFZVRB-DYVFJYSZSA-N 1 2 339.436 0.476 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@](CO)(NC(=O)OC(C)(C)C)C1 ZINC000932696709 611657130 /nfs/dbraw/zinc/65/71/30/611657130.db2.gz WUAHBCOOGFZVRB-DYVFJYSZSA-N 1 2 339.436 0.476 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000947216124 608940124 /nfs/dbraw/zinc/94/01/24/608940124.db2.gz CZOVIUQHNRBOTI-GHMZBOCLSA-N 1 2 343.391 0.091 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000947216124 608940127 /nfs/dbraw/zinc/94/01/27/608940127.db2.gz CZOVIUQHNRBOTI-GHMZBOCLSA-N 1 2 343.391 0.091 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1ncnn1C ZINC000947217798 608969306 /nfs/dbraw/zinc/96/93/06/608969306.db2.gz RGJFMSBNMQSNKK-RYUDHWBXSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1ncnn1C ZINC000947217798 608969308 /nfs/dbraw/zinc/96/93/08/608969308.db2.gz RGJFMSBNMQSNKK-RYUDHWBXSA-N 1 2 327.392 0.798 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cn(C)nn3)[C@H](C)C2)nn1 ZINC000947792701 611692283 /nfs/dbraw/zinc/69/22/83/611692283.db2.gz QSSNJOZVTOFGJB-CHWSQXEVSA-N 1 2 344.423 0.376 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cn(C)nn3)[C@H](C)C2)nn1 ZINC000947792701 611692285 /nfs/dbraw/zinc/69/22/85/611692285.db2.gz QSSNJOZVTOFGJB-CHWSQXEVSA-N 1 2 344.423 0.376 20 30 ECEDLO C=CCn1cccc1C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000938193685 609513190 /nfs/dbraw/zinc/51/31/90/609513190.db2.gz DTRFRTAFICNZNL-AWEZNQCLSA-N 1 2 327.388 0.902 20 30 ECEDLO C[N@@H+]1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C[C@@H]1CO ZINC000913543857 609689657 /nfs/dbraw/zinc/68/96/57/609689657.db2.gz RBHQGVWFCJFXKJ-OAHLLOKOSA-N 1 2 325.372 0.492 20 30 ECEDLO C[N@H+]1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C[C@@H]1CO ZINC000913543857 609689658 /nfs/dbraw/zinc/68/96/58/609689658.db2.gz RBHQGVWFCJFXKJ-OAHLLOKOSA-N 1 2 325.372 0.492 20 30 ECEDLO C[N@@H+]1CCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C[C@@H]1CO ZINC000913551091 609692419 /nfs/dbraw/zinc/69/24/19/609692419.db2.gz IDUBNZTWTAINEB-IAGOWNOFSA-N 1 2 328.416 0.662 20 30 ECEDLO C[N@H+]1CCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C[C@@H]1CO ZINC000913551091 609692421 /nfs/dbraw/zinc/69/24/21/609692421.db2.gz IDUBNZTWTAINEB-IAGOWNOFSA-N 1 2 328.416 0.662 20 30 ECEDLO C=CCC[N@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@@H]1C ZINC000947825544 611709261 /nfs/dbraw/zinc/70/92/61/611709261.db2.gz RYHAWXFJVDOBOR-STQMWFEESA-N 1 2 344.419 0.616 20 30 ECEDLO C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@@H]1C ZINC000947825544 611709262 /nfs/dbraw/zinc/70/92/62/611709262.db2.gz RYHAWXFJVDOBOR-STQMWFEESA-N 1 2 344.419 0.616 20 30 ECEDLO COC(=O)[C@@H]1CC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000917158796 609963311 /nfs/dbraw/zinc/96/33/11/609963311.db2.gz VROSJHKOIWHFEN-GFCCVEGCSA-N 1 2 326.356 0.915 20 30 ECEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000917158796 609963313 /nfs/dbraw/zinc/96/33/13/609963313.db2.gz VROSJHKOIWHFEN-GFCCVEGCSA-N 1 2 326.356 0.915 20 30 ECEDLO C#CC1(O)CCN(S(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)CC1 ZINC000917909747 609988485 /nfs/dbraw/zinc/98/84/85/609988485.db2.gz VGTJYOYZUCWPLF-UHFFFAOYSA-N 1 2 334.441 0.823 20 30 ECEDLO C#CC1(O)CCN(S(=O)(=O)c2cccc3c2CC[N@H+](C)C3)CC1 ZINC000917909747 609988486 /nfs/dbraw/zinc/98/84/86/609988486.db2.gz VGTJYOYZUCWPLF-UHFFFAOYSA-N 1 2 334.441 0.823 20 30 ECEDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C2(C#N)CCCC2)CC1 ZINC000068508340 609989305 /nfs/dbraw/zinc/98/93/05/609989305.db2.gz LKROAJIFQWFKNL-UHFFFAOYSA-N 1 2 327.450 0.696 20 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C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC000972517009 736527357 /nfs/dbraw/zinc/52/73/57/736527357.db2.gz CDGUEAYBXADWJK-IEBWSBKVSA-N 1 2 349.475 0.422 20 30 ECEDLO C#CCCN1CCO[C@]2(CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC000972517009 736527358 /nfs/dbraw/zinc/52/73/58/736527358.db2.gz CDGUEAYBXADWJK-IEBWSBKVSA-N 1 2 349.475 0.422 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4nnn(C)c4c3)[C@H]2C1 ZINC001083259092 736605972 /nfs/dbraw/zinc/60/59/72/736605972.db2.gz LARLSUZYQXGQFZ-DLBZAZTESA-N 1 2 339.399 0.517 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4nnn(C)c4c3)[C@H]2C1 ZINC001083259092 736605974 /nfs/dbraw/zinc/60/59/74/736605974.db2.gz LARLSUZYQXGQFZ-DLBZAZTESA-N 1 2 339.399 0.517 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)Oc3cccnc3)C2)C1 ZINC000972542904 736652951 /nfs/dbraw/zinc/65/29/51/736652951.db2.gz FUYOSDSLRCMBAK-CRAIPNDOSA-N 1 2 329.400 0.785 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)Oc3cccnc3)C2)C1 ZINC000972542904 736652953 /nfs/dbraw/zinc/65/29/53/736652953.db2.gz FUYOSDSLRCMBAK-CRAIPNDOSA-N 1 2 329.400 0.785 20 30 ECEDLO Cn1cnnc1C[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001023315105 736675311 /nfs/dbraw/zinc/67/53/11/736675311.db2.gz SJXVYXSXPNPRLW-LBPRGKRZSA-N 1 2 327.392 0.657 20 30 ECEDLO Cn1cnnc1C[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001023315105 736675313 /nfs/dbraw/zinc/67/53/13/736675313.db2.gz SJXVYXSXPNPRLW-LBPRGKRZSA-N 1 2 327.392 0.657 20 30 ECEDLO N#CCN1CCC[C@@H](CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001023510559 736941747 /nfs/dbraw/zinc/94/17/47/736941747.db2.gz NDWYIPWRZQNIMF-DLBZAZTESA-N 1 2 334.464 0.839 20 30 ECEDLO N#CCN1CCC[C@@H](CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001023510559 736941750 /nfs/dbraw/zinc/94/17/50/736941750.db2.gz NDWYIPWRZQNIMF-DLBZAZTESA-N 1 2 334.464 0.839 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@]3(C2)C[N@H+](CC#CC)CCO3)nn1 ZINC000972590916 737010066 /nfs/dbraw/zinc/01/00/66/737010066.db2.gz WITOSTHDFDHGAW-GOSISDBHSA-N 1 2 343.431 0.794 20 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/nfs/dbraw/zinc/15/54/39/737155439.db2.gz JHWGOVAFCIBBHH-MAUKXSAKSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CCC[C@@H]3CC)C2)C1 ZINC000972627537 737155441 /nfs/dbraw/zinc/15/54/41/737155441.db2.gz JHWGOVAFCIBBHH-MAUKXSAKSA-N 1 2 333.432 0.324 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN3C(C)=O)C2)C1 ZINC000972641985 737206386 /nfs/dbraw/zinc/20/63/86/737206386.db2.gz CFFHOOCVZNXTMJ-WMZOPIPTSA-N 1 2 333.432 0.324 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN3C(C)=O)C2)C1 ZINC000972641985 737206387 /nfs/dbraw/zinc/20/63/87/737206387.db2.gz CFFHOOCVZNXTMJ-WMZOPIPTSA-N 1 2 333.432 0.324 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCCCC(=O)N3)C2)C1 ZINC000972654513 737261570 /nfs/dbraw/zinc/26/15/70/737261570.db2.gz QUSGFFMFTFODJZ-CRAIPNDOSA-N 1 2 335.448 0.925 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCCCC(=O)N3)C2)C1 ZINC000972654513 737261575 /nfs/dbraw/zinc/26/15/75/737261575.db2.gz QUSGFFMFTFODJZ-CRAIPNDOSA-N 1 2 335.448 0.925 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3c(C)csc3=O)C2)C1 ZINC000972669364 737315775 /nfs/dbraw/zinc/31/57/75/737315775.db2.gz LFGXJAQOGSGZHV-MRXNPFEDSA-N 1 2 335.429 0.155 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3c(C)csc3=O)C2)C1 ZINC000972669364 737315777 /nfs/dbraw/zinc/31/57/77/737315777.db2.gz LFGXJAQOGSGZHV-MRXNPFEDSA-N 1 2 335.429 0.155 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)N3CCCCC3=O)C2)C1 ZINC000972682949 737371992 /nfs/dbraw/zinc/37/19/92/737371992.db2.gz ARFBPWNYAZMMLE-APWZRJJASA-N 1 2 347.459 0.714 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)N3CCCCC3=O)C2)C1 ZINC000972682949 737371996 /nfs/dbraw/zinc/37/19/96/737371996.db2.gz ARFBPWNYAZMMLE-APWZRJJASA-N 1 2 347.459 0.714 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)C2)C1 ZINC000972684324 737374708 /nfs/dbraw/zinc/37/47/08/737374708.db2.gz RKYWOPHETHUIGZ-BEFAXECRSA-N 1 2 342.443 0.841 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)C2)C1 ZINC000972684324 737374711 /nfs/dbraw/zinc/37/47/11/737374711.db2.gz RKYWOPHETHUIGZ-BEFAXECRSA-N 1 2 342.443 0.841 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3ccc(C(N)=O)cc3)C2)C1 ZINC000972696958 737409370 /nfs/dbraw/zinc/40/93/70/737409370.db2.gz RGGNTOMAIJCUNI-LJQANCHMSA-N 1 2 341.411 0.265 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3ccc(C(N)=O)cc3)C2)C1 ZINC000972696958 737409372 /nfs/dbraw/zinc/40/93/72/737409372.db2.gz RGGNTOMAIJCUNI-LJQANCHMSA-N 1 2 341.411 0.265 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc(OCC)cn3)C2)C1 ZINC000972704072 737495773 /nfs/dbraw/zinc/49/57/73/737495773.db2.gz YQYVOQVYKFNXQL-GOSISDBHSA-N 1 2 344.415 0.816 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc(OCC)cn3)C2)C1 ZINC000972704072 737495776 /nfs/dbraw/zinc/49/57/76/737495776.db2.gz YQYVOQVYKFNXQL-GOSISDBHSA-N 1 2 344.415 0.816 20 30 ECEDLO N#CCN1CCCC[C@H]1CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001024576066 738122411 /nfs/dbraw/zinc/12/24/11/738122411.db2.gz PBSHQQAVTIIBPH-DLBZAZTESA-N 1 2 334.464 0.982 20 30 ECEDLO N#CCN1CCCC[C@H]1CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001024576066 738122415 /nfs/dbraw/zinc/12/24/15/738122415.db2.gz PBSHQQAVTIIBPH-DLBZAZTESA-N 1 2 334.464 0.982 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2nnc[nH]2)C1=O ZINC001024718586 738247357 /nfs/dbraw/zinc/24/73/57/738247357.db2.gz WPDKTKHKQNUKKS-CHWSQXEVSA-N 1 2 332.408 0.176 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2nnc[nH]2)C1=O ZINC001024718586 738247359 /nfs/dbraw/zinc/24/73/59/738247359.db2.gz WPDKTKHKQNUKKS-CHWSQXEVSA-N 1 2 332.408 0.176 20 30 ECEDLO C=CCOc1cccnc1C(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NC ZINC001024750249 738267139 /nfs/dbraw/zinc/26/71/39/738267139.db2.gz OPZBYGRACJTVSB-AWEZNQCLSA-N 1 2 346.431 0.977 20 30 ECEDLO C=CCOc1cccnc1C(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC ZINC001024750249 738267142 /nfs/dbraw/zinc/26/71/42/738267142.db2.gz OPZBYGRACJTVSB-AWEZNQCLSA-N 1 2 346.431 0.977 20 30 ECEDLO C=C1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001024777582 738284803 /nfs/dbraw/zinc/28/48/03/738284803.db2.gz FDYZHCTYCJFJJJ-HZPDHXFCSA-N 1 2 346.431 0.397 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001024779518 738286913 /nfs/dbraw/zinc/28/69/13/738286913.db2.gz TXTQFRYVNIECAZ-ZIAGYGMSSA-N 1 2 334.420 0.253 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)nn1 ZINC000973317667 739086120 /nfs/dbraw/zinc/08/61/20/739086120.db2.gz KIZWAANINXNITB-JOCQHMNTSA-N 1 2 343.391 0.128 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000973325926 739098459 /nfs/dbraw/zinc/09/84/59/739098459.db2.gz NTLPMHCTHCHEFI-TUVASFSCSA-N 1 2 332.404 0.628 20 30 ECEDLO C[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@H]1CCC[N@H+](Cc2nnnn2C)C1 ZINC001025383649 739336872 /nfs/dbraw/zinc/33/68/72/739336872.db2.gz XMJMEBPKUQXCFK-AAEUAGOBSA-N 1 2 342.407 0.440 20 30 ECEDLO C[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@H]1CCC[N@@H+](Cc2nnnn2C)C1 ZINC001025383649 739336875 /nfs/dbraw/zinc/33/68/75/739336875.db2.gz XMJMEBPKUQXCFK-AAEUAGOBSA-N 1 2 342.407 0.440 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3onc(CC)c3c2)C1 ZINC001078233012 782531545 /nfs/dbraw/zinc/53/15/45/782531545.db2.gz CLUKGHSYTOSXSI-HUUCEWRRSA-N 1 2 328.372 0.583 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3onc(CC)c3c2)C1 ZINC001078233012 782531554 /nfs/dbraw/zinc/53/15/54/782531554.db2.gz CLUKGHSYTOSXSI-HUUCEWRRSA-N 1 2 328.372 0.583 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H](C)[C@H]2CCC[N@H+](Cc3cnon3)C2)nn1 ZINC001025555853 739719210 /nfs/dbraw/zinc/71/92/10/739719210.db2.gz QJYLEILHAGPCDH-OLZOCXBDSA-N 1 2 345.407 0.878 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](Cc3cnon3)C2)nn1 ZINC001025555853 739719213 /nfs/dbraw/zinc/71/92/13/739719213.db2.gz QJYLEILHAGPCDH-OLZOCXBDSA-N 1 2 345.407 0.878 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3cccnc32)[C@@H](n2ccnn2)C1 ZINC001070010522 790315010 /nfs/dbraw/zinc/31/50/10/790315010.db2.gz ZFQWQYWQFHEUIB-OAGGEKHMSA-N 1 2 336.399 0.378 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3cccnc32)[C@@H](n2ccnn2)C1 ZINC001070010522 790315016 /nfs/dbraw/zinc/31/50/16/790315016.db2.gz ZFQWQYWQFHEUIB-OAGGEKHMSA-N 1 2 336.399 0.378 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2CCC(OC)CC2)[C@@H](n2ccnn2)C1 ZINC001070010497 790315340 /nfs/dbraw/zinc/31/53/40/790315340.db2.gz XUVYNRSUJZHUOV-FJBKBRRZSA-N 1 2 331.420 0.458 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2CCC(OC)CC2)[C@@H](n2ccnn2)C1 ZINC001070010497 790315347 /nfs/dbraw/zinc/31/53/47/790315347.db2.gz XUVYNRSUJZHUOV-FJBKBRRZSA-N 1 2 331.420 0.458 20 30 ECEDLO CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCS(=O)(=O)C3)C2)C1 ZINC000982047173 751548470 /nfs/dbraw/zinc/54/84/70/751548470.db2.gz ZPZUNUNLTRRLKA-OAHLLOKOSA-N 1 2 338.473 0.759 20 30 ECEDLO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCS(=O)(=O)C3)C2)C1 ZINC000982047173 751548474 /nfs/dbraw/zinc/54/84/74/751548474.db2.gz ZPZUNUNLTRRLKA-OAHLLOKOSA-N 1 2 338.473 0.759 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)c3c(C)nn(C)c3C)[C@H]2C1 ZINC001083292027 740548221 /nfs/dbraw/zinc/54/82/21/740548221.db2.gz LIKHVZJXEVMSJW-UHOFOFEASA-N 1 2 330.432 0.685 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)c3c(C)nn(C)c3C)[C@H]2C1 ZINC001083292027 740548223 /nfs/dbraw/zinc/54/82/23/740548223.db2.gz LIKHVZJXEVMSJW-UHOFOFEASA-N 1 2 330.432 0.685 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)nn1 ZINC000974175861 741063039 /nfs/dbraw/zinc/06/30/39/741063039.db2.gz SIYZTUYQORLYOI-TXEJJXNPSA-N 1 2 343.391 0.197 20 30 ECEDLO CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCc4[nH]nnc4C3)C2)C1 ZINC000982116591 751610377 /nfs/dbraw/zinc/61/03/77/751610377.db2.gz NHRWAAQKCXVPGU-CQSZACIVSA-N 1 2 327.432 0.857 20 30 ECEDLO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCc4[nH]nnc4C3)C2)C1 ZINC000982116591 751610378 /nfs/dbraw/zinc/61/03/78/751610378.db2.gz NHRWAAQKCXVPGU-CQSZACIVSA-N 1 2 327.432 0.857 20 30 ECEDLO CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCc4nn[nH]c4C3)C2)C1 ZINC000982116591 751610380 /nfs/dbraw/zinc/61/03/80/751610380.db2.gz NHRWAAQKCXVPGU-CQSZACIVSA-N 1 2 327.432 0.857 20 30 ECEDLO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCc4nn[nH]c4C3)C2)C1 ZINC000982116591 751610382 /nfs/dbraw/zinc/61/03/82/751610382.db2.gz NHRWAAQKCXVPGU-CQSZACIVSA-N 1 2 327.432 0.857 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[N@@H+](Cc3nccnc3C)CC2)nn1 ZINC000982118009 751611344 /nfs/dbraw/zinc/61/13/44/751611344.db2.gz UTVQJPOTGXXKHD-UHFFFAOYSA-N 1 2 341.419 0.911 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[N@H+](Cc3nccnc3C)CC2)nn1 ZINC000982118009 751611350 /nfs/dbraw/zinc/61/13/50/751611350.db2.gz UTVQJPOTGXXKHD-UHFFFAOYSA-N 1 2 341.419 0.911 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)CC(C)C)C2)nn1 ZINC001105139446 741412695 /nfs/dbraw/zinc/41/26/95/741412695.db2.gz GONUHLKEUVYFFW-ZDUSSCGKSA-N 1 2 348.451 0.488 20 30 ECEDLO C=CCCC(=O)N1CC(n2cc(C[NH2+]Cc3ccnn3C)nn2)C1 ZINC001105185704 741449361 /nfs/dbraw/zinc/44/93/61/741449361.db2.gz RTHSPBUYXBIETC-UHFFFAOYSA-N 1 2 329.408 0.651 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C3CC(OCC)C3)C2)nn1 ZINC001105230836 741515383 /nfs/dbraw/zinc/51/53/83/741515383.db2.gz ZYQLDVYQLXBJAW-UHFFFAOYSA-N 1 2 331.420 0.589 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3nn(C)cc3Cl)C2)nn1 ZINC001105249415 741553168 /nfs/dbraw/zinc/55/31/68/741553168.db2.gz UMIHZTFGXNNJOW-UHFFFAOYSA-N 1 2 333.783 0.085 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC(n2cc(C[NH2+][C@@H](CC)C(N)=O)nn2)C1 ZINC001105249553 741553170 /nfs/dbraw/zinc/55/31/70/741553170.db2.gz WZXIBGRNVSFQQL-AWEZNQCLSA-N 1 2 348.451 0.617 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H](OCC)C(C)C)C2)nn1 ZINC001105256933 741572845 /nfs/dbraw/zinc/57/28/45/741572845.db2.gz ZVFGIEZONKBTGK-MRXNPFEDSA-N 1 2 333.436 0.835 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(C)c3Cl)C2)nn1 ZINC001105268310 741610012 /nfs/dbraw/zinc/61/00/12/741610012.db2.gz IROABXQETYUFJV-UHFFFAOYSA-N 1 2 347.810 0.475 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cncc(OC)c3C)C2)nn1 ZINC001105270714 741615199 /nfs/dbraw/zinc/61/51/99/741615199.db2.gz JFXXBOGFEZUOOC-UHFFFAOYSA-N 1 2 340.387 0.410 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)C3CCOCC3)C2)nn1 ZINC001105278709 741634640 /nfs/dbraw/zinc/63/46/40/741634640.db2.gz RZRHPNOYSZLULG-UHFFFAOYSA-N 1 2 345.447 0.837 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3Cc4ccccc4O3)C2)nn1 ZINC001105280811 741636722 /nfs/dbraw/zinc/63/67/22/741636722.db2.gz FFLUIMXCKPCIFC-KRWDZBQOSA-N 1 2 337.383 0.388 20 30 ECEDLO CC(C)[C@@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)Nc1ccnc(C#N)n1 ZINC001105291435 741653051 /nfs/dbraw/zinc/65/30/51/741653051.db2.gz IXCUAQBSWIXWRX-TZMCWYRMSA-N 1 2 341.419 0.925 20 30 ECEDLO CC(C)[C@@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)Nc1ccnc(C#N)n1 ZINC001105291435 741653053 /nfs/dbraw/zinc/65/30/53/741653053.db2.gz IXCUAQBSWIXWRX-TZMCWYRMSA-N 1 2 341.419 0.925 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(CCC)n[nH]3)C2)nn1 ZINC001105297017 741674121 /nfs/dbraw/zinc/67/41/21/741674121.db2.gz FJKIFLODQPIUFQ-UHFFFAOYSA-N 1 2 327.392 0.374 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CC3CC(OCC)C3)C2)nn1 ZINC001105312146 741721133 /nfs/dbraw/zinc/72/11/33/741721133.db2.gz CZQDJKNRGCVIFY-UHFFFAOYSA-N 1 2 345.447 0.980 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CC3CC(OCC)C3)C2)nn1 ZINC001105312513 741730012 /nfs/dbraw/zinc/73/00/12/741730012.db2.gz PIINLHVRDTUXMV-UHFFFAOYSA-N 1 2 331.420 0.589 20 30 ECEDLO CN(CCN(C)c1[nH+]cnc2c1cnn2C)C(=O)CSCC#N ZINC001105329193 741824902 /nfs/dbraw/zinc/82/49/02/741824902.db2.gz UKRDDBOTVSYWNZ-UHFFFAOYSA-N 1 2 333.421 0.515 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CN2CCCS2(=O)=O)C(C)(C)C1 ZINC000974650198 741969209 /nfs/dbraw/zinc/96/92/09/741969209.db2.gz AWBPKXFOLPLLIN-LBPRGKRZSA-N 1 2 349.884 0.601 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CN2CCCS2(=O)=O)C(C)(C)C1 ZINC000974650198 741969210 /nfs/dbraw/zinc/96/92/10/741969210.db2.gz AWBPKXFOLPLLIN-LBPRGKRZSA-N 1 2 349.884 0.601 20 30 ECEDLO Cn1nnc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)CC2(C)C)n1 ZINC000974950008 742385560 /nfs/dbraw/zinc/38/55/60/742385560.db2.gz RMCRNJWKVFLDMD-GFCCVEGCSA-N 1 2 345.432 0.784 20 30 ECEDLO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)CC2(C)C)n1 ZINC000974950008 742385566 /nfs/dbraw/zinc/38/55/66/742385566.db2.gz RMCRNJWKVFLDMD-GFCCVEGCSA-N 1 2 345.432 0.784 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2C[N@@H+](CC(=O)NC3CC3)CC2(C)C)c1 ZINC000975008471 742444500 /nfs/dbraw/zinc/44/45/00/742444500.db2.gz ABZPQFIJGNTMPK-INIZCTEOSA-N 1 2 340.427 0.782 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2C[N@H+](CC(=O)NC3CC3)CC2(C)C)c1 ZINC000975008471 742444503 /nfs/dbraw/zinc/44/45/03/742444503.db2.gz ABZPQFIJGNTMPK-INIZCTEOSA-N 1 2 340.427 0.782 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N[C@H]1CCN(C(=O)[C@@H](C)C#N)[C@H]1C ZINC001020536737 751772961 /nfs/dbraw/zinc/77/29/61/751772961.db2.gz BECPSHPSWXYCPO-OBJOEFQTSA-N 1 2 330.388 0.898 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]21 ZINC000975684180 743217019 /nfs/dbraw/zinc/21/70/19/743217019.db2.gz STRPIOZJPWPTFS-RDBSUJKOSA-N 1 2 329.404 0.951 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@H]2C1 ZINC000975972646 743422337 /nfs/dbraw/zinc/42/23/37/743422337.db2.gz RGBRNZYPUMKSSU-YCPHGPKFSA-N 1 2 343.431 0.962 20 30 ECEDLO C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3ccn[nH]3)C2)nn1 ZINC001098641651 751849522 /nfs/dbraw/zinc/84/95/22/751849522.db2.gz WALZTFGHCFFVJY-OAHLLOKOSA-N 1 2 329.408 0.683 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000976726813 744249837 /nfs/dbraw/zinc/24/98/37/744249837.db2.gz JNXPPBHQYAWJHH-KMANFZQXSA-N 1 2 338.411 0.432 20 30 ECEDLO C=C1CC(C)(C(=O)NC2CN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C2)C1 ZINC000999293007 744604877 /nfs/dbraw/zinc/60/48/77/744604877.db2.gz MNGLGQRMRUUMAP-INIZCTEOSA-N 1 2 347.459 0.781 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)[nH]1 ZINC000999354981 744647940 /nfs/dbraw/zinc/64/79/40/744647940.db2.gz KTMWHBNOMFGYLF-GFCCVEGCSA-N 1 2 338.371 0.670 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3coc(C4CC4)n3)C2)nn1 ZINC001105339805 744702647 /nfs/dbraw/zinc/70/26/47/744702647.db2.gz XQVPFKXVWOXVEH-UHFFFAOYSA-N 1 2 326.360 0.563 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000977162518 744714777 /nfs/dbraw/zinc/71/47/77/744714777.db2.gz RRELSRWYJVPPMZ-SZOQZIPDSA-N 1 2 338.411 0.816 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3cnon3)C(C)(C)C2)C1=O ZINC000977376246 744902482 /nfs/dbraw/zinc/90/24/82/744902482.db2.gz AJAQUPPGNGSRBS-STQMWFEESA-N 1 2 333.392 0.297 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3cnon3)C(C)(C)C2)C1=O ZINC000977376246 744902485 /nfs/dbraw/zinc/90/24/85/744902485.db2.gz AJAQUPPGNGSRBS-STQMWFEESA-N 1 2 333.392 0.297 20 30 ECEDLO O=C(C[C@@H]1COC(=O)C1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083407620 745066376 /nfs/dbraw/zinc/06/63/76/745066376.db2.gz XRMKUHZPCRQLRX-BBWFWOEESA-N 1 2 342.395 0.153 20 30 ECEDLO O=C(C[C@@H]1COC(=O)C1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083407620 745066381 /nfs/dbraw/zinc/06/63/81/745066381.db2.gz XRMKUHZPCRQLRX-BBWFWOEESA-N 1 2 342.395 0.153 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC000977516828 745137461 /nfs/dbraw/zinc/13/74/61/745137461.db2.gz SLZFVGVWXCSOJD-ZDUSSCGKSA-N 1 2 330.388 0.019 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC000977516828 745137464 /nfs/dbraw/zinc/13/74/64/745137464.db2.gz SLZFVGVWXCSOJD-ZDUSSCGKSA-N 1 2 330.388 0.019 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001000013541 745182308 /nfs/dbraw/zinc/18/23/08/745182308.db2.gz JAMRIFWNKGOAJG-HIFRSBDPSA-N 1 2 340.383 0.866 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001000021422 745192069 /nfs/dbraw/zinc/19/20/69/745192069.db2.gz BYKYVFLVEBBZTR-WQVCFCJDSA-N 1 2 344.415 0.364 20 30 ECEDLO C=CCOc1cccnc1C(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001000184817 745320694 /nfs/dbraw/zinc/32/06/94/745320694.db2.gz CGWWXAWKOMXJPF-UHFFFAOYSA-N 1 2 341.371 0.484 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N2CCCC2)c1 ZINC001029258390 745459862 /nfs/dbraw/zinc/45/98/62/745459862.db2.gz PIEHXWRLHSKKLU-GASCZTMLSA-N 1 2 341.415 0.798 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N2CCCC2)c1 ZINC001029258390 745459865 /nfs/dbraw/zinc/45/98/65/745459865.db2.gz PIEHXWRLHSKKLU-GASCZTMLSA-N 1 2 341.415 0.798 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3nc(CC)no3)C2)nn1 ZINC001000401436 745477443 /nfs/dbraw/zinc/47/74/43/745477443.db2.gz DCCUZMPRDLSOLE-GFCCVEGCSA-N 1 2 345.407 0.804 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[C@H]([NH2+]Cc3nnc(C)o3)C2)nn1 ZINC001000427440 745491807 /nfs/dbraw/zinc/49/18/07/745491807.db2.gz MENQJRUMQCRNOM-ZDUSSCGKSA-N 1 2 345.407 0.940 20 30 ECEDLO N#Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N2CCCC2)c[nH]1 ZINC001029277374 745507097 /nfs/dbraw/zinc/50/70/97/745507097.db2.gz FUDQCFGIKBNAPT-IYBDPMFKSA-N 1 2 341.415 0.798 20 30 ECEDLO N#Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N2CCCC2)c[nH]1 ZINC001029277374 745507101 /nfs/dbraw/zinc/50/71/01/745507101.db2.gz FUDQCFGIKBNAPT-IYBDPMFKSA-N 1 2 341.415 0.798 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000977799261 745520340 /nfs/dbraw/zinc/52/03/40/745520340.db2.gz UQLOAZXUULWNAI-KEYYUXOJSA-N 1 2 346.431 0.993 20 30 ECEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@H]2COC(=O)N2)CC1 ZINC001000638074 745653101 /nfs/dbraw/zinc/65/31/01/745653101.db2.gz CEVCKHHRZUQNQR-LLVKDONJSA-N 1 2 344.209 0.752 20 30 ECEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@H]2COC(=O)N2)CC1 ZINC001000638074 745653104 /nfs/dbraw/zinc/65/31/04/745653104.db2.gz CEVCKHHRZUQNQR-LLVKDONJSA-N 1 2 344.209 0.752 20 30 ECEDLO C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O)n1cncn1 ZINC001083416683 745966408 /nfs/dbraw/zinc/96/64/08/745966408.db2.gz QWYGGPZKHMVOSE-GDLCADMTSA-N 1 2 346.416 0.134 20 30 ECEDLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O)n1cncn1 ZINC001083416683 745966410 /nfs/dbraw/zinc/96/64/10/745966410.db2.gz QWYGGPZKHMVOSE-GDLCADMTSA-N 1 2 346.416 0.134 20 30 ECEDLO 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C=CCn1cc(C(=O)NCC2CN(C(=O)CCc3c[nH]c[nH+]3)C2)nn1 ZINC001001978901 746858438 /nfs/dbraw/zinc/85/84/38/746858438.db2.gz SQJFPJIRAIJWRQ-UHFFFAOYSA-N 1 2 343.391 0.008 20 30 ECEDLO C=CCn1cc(C(=O)NCC2CN(C(=O)CCc3c[nH+]c[nH]3)C2)nn1 ZINC001001978901 746858442 /nfs/dbraw/zinc/85/84/42/746858442.db2.gz SQJFPJIRAIJWRQ-UHFFFAOYSA-N 1 2 343.391 0.008 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cnn(C)n4)C[C@H]32)nc1 ZINC000978981493 746991919 /nfs/dbraw/zinc/99/19/19/746991919.db2.gz DDSDCKPSJXVCSI-PHZGNYQRSA-N 1 2 336.399 0.299 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cnn(C)n4)C[C@H]32)nc1 ZINC000978981493 746991923 /nfs/dbraw/zinc/99/19/23/746991923.db2.gz DDSDCKPSJXVCSI-PHZGNYQRSA-N 1 2 336.399 0.299 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC000979088247 747156084 /nfs/dbraw/zinc/15/60/84/747156084.db2.gz XZBXRQCZISUSOB-OKILXGFUSA-N 1 2 337.383 0.653 20 30 ECEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)Cn2cnnn2)CC1 ZINC001002302669 747194187 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752900684 /nfs/dbraw/zinc/90/06/84/752900684.db2.gz LSVHIBFSPLKJNC-UHFFFAOYSA-N 1 2 325.434 0.833 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2nnc(C(F)F)s2)C1 ZINC001051495655 762209565 /nfs/dbraw/zinc/20/95/65/762209565.db2.gz WEOJGPCYONJBTK-RKDXNWHRSA-N 1 2 345.375 0.952 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3cnc(C)o3)C2)nn1 ZINC001098680786 753586546 /nfs/dbraw/zinc/58/65/46/753586546.db2.gz KEZKXATZHFETIN-AWEZNQCLSA-N 1 2 328.376 0.313 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O)[C@@H]1CCOC1 ZINC001083361577 753678387 /nfs/dbraw/zinc/67/83/87/753678387.db2.gz UZDOWFGJLHIWRF-OIISXLGYSA-N 1 2 348.830 0.889 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O)[C@@H]1CCOC1 ZINC001083361577 753678391 /nfs/dbraw/zinc/67/83/91/753678391.db2.gz UZDOWFGJLHIWRF-OIISXLGYSA-N 1 2 348.830 0.889 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)[C@@H]1CCCOC1 ZINC001083367350 753696325 /nfs/dbraw/zinc/69/63/25/753696325.db2.gz BNJXWMLXKZJZJM-KURKYZTESA-N 1 2 328.412 0.626 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)[C@@H]1CCCOC1 ZINC001083367350 753696331 /nfs/dbraw/zinc/69/63/31/753696331.db2.gz BNJXWMLXKZJZJM-KURKYZTESA-N 1 2 328.412 0.626 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C3CCCCCC3)[C@@H](O)C2)C1=O ZINC001083367809 753698735 /nfs/dbraw/zinc/69/87/35/753698735.db2.gz TWUNWJMQZDDUPC-ZACQAIPSSA-N 1 2 349.475 0.905 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C3CCCCCC3)[C@@H](O)C2)C1=O ZINC001083367809 753698741 /nfs/dbraw/zinc/69/87/41/753698741.db2.gz TWUNWJMQZDDUPC-ZACQAIPSSA-N 1 2 349.475 0.905 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CCCOC3)[C@@H](O)C2)cc1F ZINC001083367916 753698852 /nfs/dbraw/zinc/69/88/52/753698852.db2.gz WZKLOCBUSULULY-OIISXLGYSA-N 1 2 347.390 0.785 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CCCOC3)[C@@H](O)C2)cc1F ZINC001083367916 753698858 /nfs/dbraw/zinc/69/88/58/753698858.db2.gz WZKLOCBUSULULY-OIISXLGYSA-N 1 2 347.390 0.785 20 30 ECEDLO CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001105494022 753738790 /nfs/dbraw/zinc/73/87/90/753738790.db2.gz RIYXHHNFXQWKCU-CYBMUJFWSA-N 1 2 339.403 0.702 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001059973367 753762456 /nfs/dbraw/zinc/76/24/56/753762456.db2.gz WCCCUUPQDYHXFW-KBXCAEBGSA-N 1 2 348.447 0.645 20 30 ECEDLO CC1(C)CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001008505183 753827623 /nfs/dbraw/zinc/82/76/23/753827623.db2.gz LJNBLHCPSNKNMX-ZDUSSCGKSA-N 1 2 340.387 0.819 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3nccs3)C2)nn1 ZINC001105375872 753841186 /nfs/dbraw/zinc/84/11/86/753841186.db2.gz SMSGWPDKOAIHNM-UHFFFAOYSA-N 1 2 344.444 0.864 20 30 ECEDLO CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001105595774 753943788 /nfs/dbraw/zinc/94/37/88/753943788.db2.gz JECRHDAPFPFXLD-CHWSQXEVSA-N 1 2 325.376 0.770 20 30 ECEDLO CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001105595774 753943791 /nfs/dbraw/zinc/94/37/91/753943791.db2.gz JECRHDAPFPFXLD-CHWSQXEVSA-N 1 2 325.376 0.770 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC001014102492 762254190 /nfs/dbraw/zinc/25/41/90/762254190.db2.gz MOCKNUCEFLOFKU-WBMJQRKESA-N 1 2 337.383 0.748 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+]([C@H](C)C(=O)NC3CC3)CC2)nc1 ZINC000989513200 754063868 /nfs/dbraw/zinc/06/38/68/754063868.db2.gz ZZYAHQQXRIXSOE-CQSZACIVSA-N 1 2 340.427 0.878 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@H+]([C@H](C)C(=O)NC3CC3)CC2)nc1 ZINC000989513200 754063873 /nfs/dbraw/zinc/06/38/73/754063873.db2.gz ZZYAHQQXRIXSOE-CQSZACIVSA-N 1 2 340.427 0.878 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccnn3C)C2)nn1 ZINC001008816459 754150214 /nfs/dbraw/zinc/15/02/14/754150214.db2.gz WWJPRDHYELYVDF-AWEZNQCLSA-N 1 2 343.435 0.982 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccnn3C)C2)nn1 ZINC001008816459 754150215 /nfs/dbraw/zinc/15/02/15/754150215.db2.gz WWJPRDHYELYVDF-AWEZNQCLSA-N 1 2 343.435 0.982 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3ncccn3)C2)C1=O ZINC001008956668 754357116 /nfs/dbraw/zinc/35/71/16/754357116.db2.gz OUYGDVXOQBHKRP-KBPBESRZSA-N 1 2 329.404 0.458 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3ncccn3)C2)C1=O ZINC001008956668 754357122 /nfs/dbraw/zinc/35/71/22/754357122.db2.gz OUYGDVXOQBHKRP-KBPBESRZSA-N 1 2 329.404 0.458 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)c[nH]1 ZINC001008958244 754359030 /nfs/dbraw/zinc/35/90/30/754359030.db2.gz HDMSWYVDJZFYQN-QKDCVEJESA-N 1 2 338.371 0.217 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cn(CC)nn3)C2)C1=O ZINC001009025566 754448173 /nfs/dbraw/zinc/44/81/73/754448173.db2.gz YDHRISHVIBEHOF-UKRRQHHQSA-N 1 2 346.435 0.279 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cn(CC)nn3)C2)C1=O ZINC001009025566 754448175 /nfs/dbraw/zinc/44/81/75/754448175.db2.gz YDHRISHVIBEHOF-UKRRQHHQSA-N 1 2 346.435 0.279 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCC[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001060002538 754576632 /nfs/dbraw/zinc/57/66/32/754576632.db2.gz WUBGFRZYHCAEIK-YJBOKZPZSA-N 1 2 348.447 0.955 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N3CCC3)C2)nc1 ZINC001009244083 754702352 /nfs/dbraw/zinc/70/23/52/754702352.db2.gz AIYLYHBSKLIWRQ-HNNXBMFYSA-N 1 2 326.400 0.489 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCC3)C2)nc1 ZINC001009244083 754702356 /nfs/dbraw/zinc/70/23/56/754702356.db2.gz AIYLYHBSKLIWRQ-HNNXBMFYSA-N 1 2 326.400 0.489 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000990135222 754760591 /nfs/dbraw/zinc/76/05/91/754760591.db2.gz QTAYDWCKUAPAQY-KBXIAJHMSA-N 1 2 332.404 0.580 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC000990135054 754760767 /nfs/dbraw/zinc/76/07/67/754760767.db2.gz MZSHLXJOFGUIGG-MQYQWHSLSA-N 1 2 332.404 0.649 20 30 ECEDLO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)o1 ZINC001051563426 762346830 /nfs/dbraw/zinc/34/68/30/762346830.db2.gz RZCCTJSBGUPOQK-CYBMUJFWSA-N 1 2 330.348 0.209 20 30 ECEDLO Cc1nnc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)o1 ZINC001051562292 762343235 /nfs/dbraw/zinc/34/32/35/762343235.db2.gz GZRBDIMJFPPAEL-IINYFYTJSA-N 1 2 344.375 0.770 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001009575544 755012743 /nfs/dbraw/zinc/01/27/43/755012743.db2.gz DDYYHGRMAAEMON-ZIAGYGMSSA-N 1 2 329.828 0.567 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001009575544 755012747 /nfs/dbraw/zinc/01/27/47/755012747.db2.gz DDYYHGRMAAEMON-ZIAGYGMSSA-N 1 2 329.828 0.567 20 30 ECEDLO CN(CCCN(C)c1ccnc(C#N)n1)C(=O)Cc1c[nH+]cn1C ZINC001112108241 762358089 /nfs/dbraw/zinc/35/80/89/762358089.db2.gz WHIVCGAGVMVFFH-UHFFFAOYSA-N 1 2 327.392 0.609 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CC[N@@H+](Cc3cnn(CC)n3)C2)c1 ZINC001028792444 755139861 /nfs/dbraw/zinc/13/98/61/755139861.db2.gz IASFNKZOHIQUGY-OAHLLOKOSA-N 1 2 338.415 0.926 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CC[N@H+](Cc3cnn(CC)n3)C2)c1 ZINC001028792444 755139864 /nfs/dbraw/zinc/13/98/64/755139864.db2.gz IASFNKZOHIQUGY-OAHLLOKOSA-N 1 2 338.415 0.926 20 30 ECEDLO CS(=O)(=O)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC001075709361 755193736 /nfs/dbraw/zinc/19/37/36/755193736.db2.gz GWTJMHFREOXPBE-SMDDNHRTSA-N 1 2 336.417 0.077 20 30 ECEDLO CS(=O)(=O)CC[N@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC001075709361 755193741 /nfs/dbraw/zinc/19/37/41/755193741.db2.gz GWTJMHFREOXPBE-SMDDNHRTSA-N 1 2 336.417 0.077 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3ncnn3CC)C2)nn1 ZINC001028852718 755311482 /nfs/dbraw/zinc/31/14/82/755311482.db2.gz MWTHRZFWDFHXMV-CYBMUJFWSA-N 1 2 344.423 0.327 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3ncnn3CC)C2)nn1 ZINC001028852718 755311484 /nfs/dbraw/zinc/31/14/84/755311484.db2.gz MWTHRZFWDFHXMV-CYBMUJFWSA-N 1 2 344.423 0.327 20 30 ECEDLO N#Cc1cncc(NC[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001060048004 755471678 /nfs/dbraw/zinc/47/16/78/755471678.db2.gz BWZOGSSGPPBRKP-LBPRGKRZSA-N 1 2 325.376 0.965 20 30 ECEDLO C#CC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001040282524 755608936 /nfs/dbraw/zinc/60/89/36/755608936.db2.gz IUSXHOQICFQEIM-RDJZCZTQSA-N 1 2 338.473 0.759 20 30 ECEDLO C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001040282524 755608938 /nfs/dbraw/zinc/60/89/38/755608938.db2.gz IUSXHOQICFQEIM-RDJZCZTQSA-N 1 2 338.473 0.759 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088800786 755735907 /nfs/dbraw/zinc/73/59/07/755735907.db2.gz SLTCYEJSYALUGO-YGRLFVJLSA-N 1 2 343.366 0.614 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088800786 755735910 /nfs/dbraw/zinc/73/59/10/755735910.db2.gz SLTCYEJSYALUGO-YGRLFVJLSA-N 1 2 343.366 0.614 20 30 ECEDLO C#CCCCCC(=O)N1CC[C@H](n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001098659124 755790028 /nfs/dbraw/zinc/79/00/28/755790028.db2.gz MCLUOEGVGZOGAW-HNNXBMFYSA-N 1 2 346.435 0.081 20 30 ECEDLO Cc1ncc(CC(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)o1 ZINC001083520453 755875757 /nfs/dbraw/zinc/87/57/57/755875757.db2.gz KCJLFWXEIOCHRQ-MSOLQXFVSA-N 1 2 339.395 0.739 20 30 ECEDLO Cc1ncc(CC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)o1 ZINC001083520453 755875765 /nfs/dbraw/zinc/87/57/65/755875765.db2.gz KCJLFWXEIOCHRQ-MSOLQXFVSA-N 1 2 339.395 0.739 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001088828324 755956316 /nfs/dbraw/zinc/95/63/16/755956316.db2.gz HJFOWJCMGFMXIG-WKPIXPDZSA-N 1 2 345.378 0.458 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001088828324 755956322 /nfs/dbraw/zinc/95/63/22/755956322.db2.gz HJFOWJCMGFMXIG-WKPIXPDZSA-N 1 2 345.378 0.458 20 30 ECEDLO C#CCC[N@@H+]1C[C@@H](NC(=O)c2scnc2C(F)(F)F)[C@@H](O)C1 ZINC001083533840 755968131 /nfs/dbraw/zinc/96/81/31/755968131.db2.gz MIEOTEIDVBYZPR-BDAKNGLRSA-N 1 2 333.335 0.960 20 30 ECEDLO C#CCC[N@H+]1C[C@@H](NC(=O)c2scnc2C(F)(F)F)[C@@H](O)C1 ZINC001083533840 755968134 /nfs/dbraw/zinc/96/81/34/755968134.db2.gz MIEOTEIDVBYZPR-BDAKNGLRSA-N 1 2 333.335 0.960 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2csc(C)n2)C[C@@H]1O ZINC001083537185 755979239 /nfs/dbraw/zinc/97/92/39/755979239.db2.gz HCIHKKBCFJQQEP-PMPSAXMXSA-N 1 2 348.472 0.210 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2csc(C)n2)C[C@@H]1O ZINC001083537185 755979243 /nfs/dbraw/zinc/97/92/43/755979243.db2.gz HCIHKKBCFJQQEP-PMPSAXMXSA-N 1 2 348.472 0.210 20 30 ECEDLO C[C@H](C#N)C(=O)NCC[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001060095026 756037697 /nfs/dbraw/zinc/03/76/97/756037697.db2.gz SCFGRYJFJBMKPN-KGLIPLIRSA-N 1 2 331.420 0.867 20 30 ECEDLO C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)Cc1c[nH+]cn1C ZINC001076071356 756057337 /nfs/dbraw/zinc/05/73/37/756057337.db2.gz PJRBFBKLFPWKFS-NSHDSACASA-N 1 2 328.376 0.487 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCC[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001076301630 756332951 /nfs/dbraw/zinc/33/29/51/756332951.db2.gz FDPGVYKMAFRXCC-UGSOOPFHSA-N 1 2 349.431 0.971 20 30 ECEDLO O=C(C#CC1CC1)N1CCO[C@@H](C[NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001051612781 762470107 /nfs/dbraw/zinc/47/01/07/762470107.db2.gz UIHNWBKTSJOGJS-AWEZNQCLSA-N 1 2 330.388 0.677 20 30 ECEDLO Cn1cnc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001010871772 756622449 /nfs/dbraw/zinc/62/24/49/756622449.db2.gz VQXLJNHICZPKKC-ZDUSSCGKSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1cnc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001010871772 756622454 /nfs/dbraw/zinc/62/24/54/756622454.db2.gz VQXLJNHICZPKKC-ZDUSSCGKSA-N 1 2 328.351 0.830 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccc3)C2)C1=O ZINC001076693331 756864578 /nfs/dbraw/zinc/86/45/78/756864578.db2.gz HWRUPPYTJSESHV-OWCLPIDISA-N 1 2 329.400 0.248 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccc3)C2)C1=O ZINC001076693331 756864583 /nfs/dbraw/zinc/86/45/83/756864583.db2.gz HWRUPPYTJSESHV-OWCLPIDISA-N 1 2 329.400 0.248 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)on1 ZINC001076727767 756923924 /nfs/dbraw/zinc/92/39/24/756923924.db2.gz YUEJCEQPGKQGEV-HUUCEWRRSA-N 1 2 326.356 0.830 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)on1 ZINC001076727767 756923927 /nfs/dbraw/zinc/92/39/27/756923927.db2.gz YUEJCEQPGKQGEV-HUUCEWRRSA-N 1 2 326.356 0.830 20 30 ECEDLO C[N@@H+]1CCc2ncnc(NC/C=C/CNC(=O)C#CC3CC3)c2C1 ZINC001107158021 757149167 /nfs/dbraw/zinc/14/91/67/757149167.db2.gz GZUSERWNUKOSLN-NSCUHMNNSA-N 1 2 325.416 0.962 20 30 ECEDLO C[N@H+]1CCc2ncnc(NC/C=C/CNC(=O)C#CC3CC3)c2C1 ZINC001107158021 757149170 /nfs/dbraw/zinc/14/91/70/757149170.db2.gz GZUSERWNUKOSLN-NSCUHMNNSA-N 1 2 325.416 0.962 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3nnc(C)o3)C2)nn1 ZINC001098666905 757173243 /nfs/dbraw/zinc/17/32/43/757173243.db2.gz KLHNNJFYYYOQNN-AWEZNQCLSA-N 1 2 343.391 0.099 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1O)[C@@H]1CCCOC1 ZINC001076794158 757193937 /nfs/dbraw/zinc/19/39/37/757193937.db2.gz UFSQTDIRDXRCBZ-KBAYOESNSA-N 1 2 346.402 0.765 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1O)[C@@H]1CCCOC1 ZINC001076794158 757193946 /nfs/dbraw/zinc/19/39/46/757193946.db2.gz UFSQTDIRDXRCBZ-KBAYOESNSA-N 1 2 346.402 0.765 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)C[C@](C)(O)C=C)nn2)C1 ZINC001107163902 757196785 /nfs/dbraw/zinc/19/67/85/757196785.db2.gz GWZLUKPEQKRUDB-QGZVFWFLSA-N 1 2 349.435 0.281 20 30 ECEDLO C=CCn1cccc1C(=O)N1C[C@@H]2C[N@H+](Cc3nnnn3C)C[C@@H]2C1 ZINC001048864030 757219148 /nfs/dbraw/zinc/21/91/48/757219148.db2.gz AICTXWQMDXKKAL-OKILXGFUSA-N 1 2 341.419 0.402 20 30 ECEDLO C=CCn1cccc1C(=O)N1C[C@@H]2C[N@@H+](Cc3nnnn3C)C[C@@H]2C1 ZINC001048864030 757219153 /nfs/dbraw/zinc/21/91/53/757219153.db2.gz AICTXWQMDXKKAL-OKILXGFUSA-N 1 2 341.419 0.402 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cscn3)C2)cc1 ZINC001076803698 757225110 /nfs/dbraw/zinc/22/51/10/757225110.db2.gz MDGJYPONTNLKRX-UKRRQHHQSA-N 1 2 328.397 0.990 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cscn3)C2)cc1 ZINC001076803698 757225114 /nfs/dbraw/zinc/22/51/14/757225114.db2.gz MDGJYPONTNLKRX-UKRRQHHQSA-N 1 2 328.397 0.990 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)c3ccnn3C)nn2)C1 ZINC001107172959 757276300 /nfs/dbraw/zinc/27/63/00/757276300.db2.gz UBIQFOILZHTSDW-ZDUSSCGKSA-N 1 2 341.419 0.312 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)[C@H](C)COC)nn2)C1 ZINC001107179837 757296671 /nfs/dbraw/zinc/29/66/71/757296671.db2.gz SZJBXXCIWWXESF-ZIAGYGMSSA-N 1 2 333.436 0.693 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C[C@H]3CC(C)(C)CO3)nn2)C1 ZINC001107184689 757416765 /nfs/dbraw/zinc/41/67/65/757416765.db2.gz RLCRSTNAGNPRJY-INIZCTEOSA-N 1 2 345.447 0.980 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H](OC)[C@@H]3CCOC3)nn2)C1 ZINC001107190534 757438235 /nfs/dbraw/zinc/43/82/35/757438235.db2.gz WLTCPSRFCPXNNB-CJNGLKHVSA-N 1 2 349.435 0.379 20 30 ECEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076897096 757514415 /nfs/dbraw/zinc/51/44/15/757514415.db2.gz GEPVSNXUGARNGP-HUUCEWRRSA-N 1 2 329.360 0.466 20 30 ECEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076897096 757514418 /nfs/dbraw/zinc/51/44/18/757514418.db2.gz GEPVSNXUGARNGP-HUUCEWRRSA-N 1 2 329.360 0.466 20 30 ECEDLO O=C(C#CC1CC1)N1CCC([NH2+]Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000996394332 757535485 /nfs/dbraw/zinc/53/54/85/757535485.db2.gz OJCQCNGRHBMFGR-UHFFFAOYSA-N 1 2 339.399 0.517 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)c3ccsn3)[C@@H](O)C2)c1 ZINC001083556496 757653296 /nfs/dbraw/zinc/65/32/96/757653296.db2.gz DRCMMICDCJQGRM-CABCVRRESA-N 1 2 328.397 0.990 20 30 ECEDLO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)c3ccsn3)[C@@H](O)C2)c1 ZINC001083556496 757653304 /nfs/dbraw/zinc/65/33/04/757653304.db2.gz DRCMMICDCJQGRM-CABCVRRESA-N 1 2 328.397 0.990 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001049001024 757654330 /nfs/dbraw/zinc/65/43/30/757654330.db2.gz ZBDCJCBFDVBLRK-GJZGRUSLSA-N 1 2 348.447 0.975 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001049001024 757654336 /nfs/dbraw/zinc/65/43/36/757654336.db2.gz ZBDCJCBFDVBLRK-GJZGRUSLSA-N 1 2 348.447 0.975 20 30 ECEDLO N#Cc1nccc(N2CC=C(CNC(=O)CCn3cc[nH+]c3)CC2)n1 ZINC001127736771 757874923 /nfs/dbraw/zinc/87/49/23/757874923.db2.gz USPJXHFRZVHUBY-UHFFFAOYSA-N 1 2 337.387 0.888 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2conc2CC)C[C@H]1O ZINC001077019185 757949866 /nfs/dbraw/zinc/94/98/66/757949866.db2.gz MMQATRZMSRBYJW-DZUCGIPZSA-N 1 2 349.431 0.880 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2conc2CC)C[C@H]1O ZINC001077019185 757949875 /nfs/dbraw/zinc/94/98/75/757949875.db2.gz MMQATRZMSRBYJW-DZUCGIPZSA-N 1 2 349.431 0.880 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001049111708 757989002 /nfs/dbraw/zinc/98/90/02/757989002.db2.gz QIZYFNTWDMWPHB-BPUTZDHNSA-N 1 2 348.447 0.595 20 30 ECEDLO CC#CCN1CC(n2cc(CNC(=O)CCCn3cc[nH+]c3)nn2)C1 ZINC001107242585 758001593 /nfs/dbraw/zinc/00/15/93/758001593.db2.gz VCTGZURPVIJIRP-UHFFFAOYSA-N 1 2 341.419 0.451 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)Cn3c(C)csc3=O)nn2)C1 ZINC001107236280 758026681 /nfs/dbraw/zinc/02/66/81/758026681.db2.gz SQJYBTTWJROUIF-UHFFFAOYSA-N 1 2 348.432 0.169 20 30 ECEDLO C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001077115896 758223555 /nfs/dbraw/zinc/22/35/55/758223555.db2.gz BYFBIVLGRNRQRM-UONOGXRCSA-N 1 2 334.420 0.659 20 30 ECEDLO C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001011668356 758255184 /nfs/dbraw/zinc/25/51/84/758255184.db2.gz YZSRZXUPTXKPQW-SMDDNHRTSA-N 1 2 326.360 0.502 20 30 ECEDLO C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)NC(=O)CSCC#N ZINC001077139214 758297910 /nfs/dbraw/zinc/29/79/10/758297910.db2.gz BXABKRAVTBEACH-QJPTWQEYSA-N 1 2 335.433 0.781 20 30 ECEDLO C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)NC(=O)CSCC#N ZINC001077139214 758297920 /nfs/dbraw/zinc/29/79/20/758297920.db2.gz BXABKRAVTBEACH-QJPTWQEYSA-N 1 2 335.433 0.781 20 30 ECEDLO C#CCOCCC(=O)NC/C=C/CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001107345523 758356591 /nfs/dbraw/zinc/35/65/91/758356591.db2.gz CNKBYEALSMBDSN-VOTSOKGWSA-N 1 2 332.408 0.370 20 30 ECEDLO N#Cc1cnc(NC/C=C/CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cn1 ZINC001107395403 758454192 /nfs/dbraw/zinc/45/41/92/758454192.db2.gz YWGHQWKEMAQBKS-AORQRIRUSA-N 1 2 337.387 0.892 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)N(C)C(=O)C3)C1 ZINC001077317327 758781313 /nfs/dbraw/zinc/78/13/13/758781313.db2.gz LYZJRWVDOHMTCA-GDBMZVCRSA-N 1 2 327.384 0.004 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)N(C)C(=O)C3)C1 ZINC001077317327 758781320 /nfs/dbraw/zinc/78/13/20/758781320.db2.gz LYZJRWVDOHMTCA-GDBMZVCRSA-N 1 2 327.384 0.004 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[C@H](n2cc(C[NH2+]CCF)nn2)C1 ZINC001098669309 758954476 /nfs/dbraw/zinc/95/44/76/758954476.db2.gz MRMYQGUPJYUGCO-ZFWWWQNUSA-N 1 2 325.388 0.438 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001011930472 758980119 /nfs/dbraw/zinc/98/01/19/758980119.db2.gz MQZDMMMVEDJXMZ-JSGCOSHPSA-N 1 2 340.387 0.892 20 30 ECEDLO Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)Cc2c[nH+]cn2C)n1 ZINC001105913781 762692764 /nfs/dbraw/zinc/69/27/64/762692764.db2.gz IXTYPRNYGOOVEV-CQSZACIVSA-N 1 2 328.376 0.127 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)C1CC(Nc2[nH+]cnc3c2cnn3C)C1 ZINC001127005660 759233102 /nfs/dbraw/zinc/23/31/02/759233102.db2.gz HHRROHACNPAZEM-HIFPTAJRSA-N 1 2 342.403 0.803 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C)c1 ZINC001012103537 759416444 /nfs/dbraw/zinc/41/64/44/759416444.db2.gz ZCMUBQQVMLYIRF-BLLLJJGKSA-N 1 2 337.383 0.748 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC001050154288 759813741 /nfs/dbraw/zinc/81/37/41/759813741.db2.gz NTCJRRKWMIGWDJ-HRCADAONSA-N 1 2 338.473 0.757 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC001050154288 759813747 /nfs/dbraw/zinc/81/37/47/759813747.db2.gz NTCJRRKWMIGWDJ-HRCADAONSA-N 1 2 338.473 0.757 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001012505114 760124195 /nfs/dbraw/zinc/12/41/95/760124195.db2.gz ZTIDTOYBAQXUDA-IINYFYTJSA-N 1 2 326.360 0.571 20 30 ECEDLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001050484310 760339876 /nfs/dbraw/zinc/33/98/76/760339876.db2.gz SLIPIIMYCFBIOB-VXGBXAGGSA-N 1 2 340.387 0.819 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)nn1 ZINC001012617186 760439941 /nfs/dbraw/zinc/43/99/41/760439941.db2.gz RHLJTZJWXVKBBN-RYUDHWBXSA-N 1 2 343.391 0.149 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nnc(C(F)(F)F)s1 ZINC001127045983 760449693 /nfs/dbraw/zinc/44/96/93/760449693.db2.gz JXXBUVRNVQDXOF-QMMMGPOBSA-N 1 2 336.339 0.801 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccc(C)nn3)C2)nn1 ZINC001098673608 760499819 /nfs/dbraw/zinc/49/98/19/760499819.db2.gz SEROSCTUQOWANA-OAHLLOKOSA-N 1 2 339.403 0.577 20 30 ECEDLO CCOCC[NH+]1CC(n2cc(CNC(=O)CSCC#N)nn2)C1 ZINC001107129497 760528684 /nfs/dbraw/zinc/52/86/84/760528684.db2.gz AZBBEFHGHCBAHW-UHFFFAOYSA-N 1 2 338.437 0.044 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2COCCO2)cc1 ZINC001032290488 760562521 /nfs/dbraw/zinc/56/25/21/760562521.db2.gz QMUXCMOHOBBZOJ-ULQDDVLXSA-N 1 2 327.384 0.759 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2COCCO2)cc1 ZINC001032290488 760562525 /nfs/dbraw/zinc/56/25/25/760562525.db2.gz QMUXCMOHOBBZOJ-ULQDDVLXSA-N 1 2 327.384 0.759 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC3(C2)CC[NH+](Cc2nnnn2C)CC3)C1 ZINC001050656755 760633213 /nfs/dbraw/zinc/63/32/13/760633213.db2.gz IRKFYNRSFFTILI-UHFFFAOYSA-N 1 2 330.436 0.991 20 30 ECEDLO C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@@H]1O ZINC001048530944 760669401 /nfs/dbraw/zinc/66/94/01/760669401.db2.gz PVYBKUAJBRWNLM-BPUTZDHNSA-N 1 2 346.431 0.442 20 30 ECEDLO C=CCn1cc(C(=O)N2CC3(C2)CC[NH+](Cc2cnon2)CC3)nn1 ZINC001050692104 760675296 /nfs/dbraw/zinc/67/52/96/760675296.db2.gz OIKQJIGVNQAQOP-UHFFFAOYSA-N 1 2 343.391 0.585 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CNc1nccnc1C#N ZINC001054440878 767977037 /nfs/dbraw/zinc/97/70/37/767977037.db2.gz YAYCUFDIMVIWOH-VXGBXAGGSA-N 1 2 325.376 0.820 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C[C@@H]2CCOC2)C1=O ZINC001017431484 767977643 /nfs/dbraw/zinc/97/76/43/767977643.db2.gz DVSOJUIAFBXHJM-NXOAAHMSSA-N 1 2 347.459 0.875 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C[C@@H]2CCOC2)C1=O ZINC001017431484 767977646 /nfs/dbraw/zinc/97/76/46/767977646.db2.gz DVSOJUIAFBXHJM-NXOAAHMSSA-N 1 2 347.459 0.875 20 30 ECEDLO CN(CCOCCNc1ccnc(C#N)n1)C(=O)CCc1[nH]cc[nH+]1 ZINC001127300324 767978492 /nfs/dbraw/zinc/97/84/92/767978492.db2.gz GQSIRCFILMLFSS-UHFFFAOYSA-N 1 2 343.391 0.013 20 30 ECEDLO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1O ZINC001048750617 761110535 /nfs/dbraw/zinc/11/05/35/761110535.db2.gz YQRREKPCUOTTIV-KBPBESRZSA-N 1 2 332.404 0.176 20 30 ECEDLO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1O ZINC001048757740 761122552 /nfs/dbraw/zinc/12/25/52/761122552.db2.gz MPVUXTLISXMDSA-KBPBESRZSA-N 1 2 346.431 0.521 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001048762244 761130628 /nfs/dbraw/zinc/13/06/28/761130628.db2.gz QEHQQRNRTUXCAF-KKUMJFAQSA-N 1 2 348.447 0.975 20 30 ECEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CN(C)C(=O)C3CC3)CC2)C1 ZINC001105713744 761238060 /nfs/dbraw/zinc/23/80/60/761238060.db2.gz SCGZNTCJLUEGBE-UHFFFAOYSA-N 1 2 335.448 0.733 20 30 ECEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@]3(COC)CCOC3)CC2)C1 ZINC001105717332 761298069 /nfs/dbraw/zinc/29/80/69/761298069.db2.gz VFCSLICMCZMCJU-SFHVURJKSA-N 1 2 338.448 0.917 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)CCn1cc[nH+]c1 ZINC001013406576 761374042 /nfs/dbraw/zinc/37/40/42/761374042.db2.gz NKGPKCLSOKWMTP-JSGCOSHPSA-N 1 2 340.387 0.892 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Cn2ccnn2)o1 ZINC001051043515 761382466 /nfs/dbraw/zinc/38/24/66/761382466.db2.gz LCASAZNIFMFWEJ-AWEZNQCLSA-N 1 2 345.403 0.926 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(Cn2ccnn2)o1 ZINC001051043515 761382476 /nfs/dbraw/zinc/38/24/76/761382476.db2.gz LCASAZNIFMFWEJ-AWEZNQCLSA-N 1 2 345.403 0.926 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2COCC[N@@H+]2CC[C@@H]2CCOC2)c1 ZINC001051106892 761502419 /nfs/dbraw/zinc/50/24/19/761502419.db2.gz QFSVAYBOTZHPEV-AEFFLSMTSA-N 1 2 343.427 0.920 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2COCC[N@H+]2CC[C@@H]2CCOC2)c1 ZINC001051106892 761502424 /nfs/dbraw/zinc/50/24/24/761502424.db2.gz QFSVAYBOTZHPEV-AEFFLSMTSA-N 1 2 343.427 0.920 20 30 ECEDLO COCc1noc(C[NH2+][C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)n1 ZINC001054576740 768048565 /nfs/dbraw/zinc/04/85/65/768048565.db2.gz WEJSCNMRZMZOTA-MFKMUULPSA-N 1 2 344.375 0.666 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2COCC[N@@H+]2C[C@@H]2CCOC2)nn1 ZINC001051157318 761581368 /nfs/dbraw/zinc/58/13/68/761581368.db2.gz LRGRGAMWEPPYBZ-LSDHHAIUSA-N 1 2 349.435 0.321 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2COCC[N@H+]2C[C@@H]2CCOC2)nn1 ZINC001051157318 761581375 /nfs/dbraw/zinc/58/13/75/761581375.db2.gz LRGRGAMWEPPYBZ-LSDHHAIUSA-N 1 2 349.435 0.321 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001051203283 761680952 /nfs/dbraw/zinc/68/09/52/761680952.db2.gz PRWMMIFLXIPKMY-HUUCEWRRSA-N 1 2 349.435 0.636 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001051203283 761680953 /nfs/dbraw/zinc/68/09/53/761680953.db2.gz PRWMMIFLXIPKMY-HUUCEWRRSA-N 1 2 349.435 0.636 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2C[C@H](CC)OC)nc1 ZINC001051213621 761702162 /nfs/dbraw/zinc/70/21/62/761702162.db2.gz BUUNEQAMRWMRQL-CVEARBPZSA-N 1 2 331.416 0.919 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2C[C@H](CC)OC)nc1 ZINC001051213621 761702167 /nfs/dbraw/zinc/70/21/67/761702167.db2.gz BUUNEQAMRWMRQL-CVEARBPZSA-N 1 2 331.416 0.919 20 30 ECEDLO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001054588912 768057429 /nfs/dbraw/zinc/05/74/29/768057429.db2.gz UQLCBSOKUXLQKH-MFKMUULPSA-N 1 2 343.391 0.586 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2C[C@@H]2CCOC2)nc1 ZINC001051215699 761706278 /nfs/dbraw/zinc/70/62/78/761706278.db2.gz ZBKKQRBIBWTAAZ-HOTGVXAUSA-N 1 2 329.400 0.530 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2C[C@@H]2CCOC2)nc1 ZINC001051215699 761706283 /nfs/dbraw/zinc/70/62/83/761706283.db2.gz ZBKKQRBIBWTAAZ-HOTGVXAUSA-N 1 2 329.400 0.530 20 30 ECEDLO C=CCCOCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001051251654 761765696 /nfs/dbraw/zinc/76/56/96/761765696.db2.gz QWMNPDLXYADECE-HUUCEWRRSA-N 1 2 348.447 0.909 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccnn2CC)[C@H](OC)C1 ZINC001212163634 761772904 /nfs/dbraw/zinc/77/29/04/761772904.db2.gz DOGSSHPAPBTIEV-GZBFAFLISA-N 1 2 349.435 0.023 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccnn2CC)[C@H](OC)C1 ZINC001212163634 761772909 /nfs/dbraw/zinc/77/29/09/761772909.db2.gz DOGSSHPAPBTIEV-GZBFAFLISA-N 1 2 349.435 0.023 20 30 ECEDLO C#CCOCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001051286628 761827106 /nfs/dbraw/zinc/82/71/06/761827106.db2.gz CAUNFWLSXURLOW-HZPDHXFCSA-N 1 2 346.431 0.666 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cnnn2CC)C1 ZINC001014471087 762727474 /nfs/dbraw/zinc/72/74/74/762727474.db2.gz QXWVTAYFYHGJIX-BMFZPTHFSA-N 1 2 333.436 0.970 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cnnn2CC)C1 ZINC001014471087 762727479 /nfs/dbraw/zinc/72/74/79/762727479.db2.gz QXWVTAYFYHGJIX-BMFZPTHFSA-N 1 2 333.436 0.970 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(c2ccncc2C#N)C[C@@H]1O ZINC001051711066 762762104 /nfs/dbraw/zinc/76/21/04/762762104.db2.gz HAELLZDYHVSGSF-BBRMVZONSA-N 1 2 340.387 0.283 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(c2ccc(C#N)nc2)C[C@@H]1O ZINC001051711333 762762821 /nfs/dbraw/zinc/76/28/21/762762821.db2.gz IIIYSZZRWSOFJA-HOCLYGCPSA-N 1 2 340.387 0.283 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(c3cc[nH+]c(C)n3)C[C@@H]2O)nc1 ZINC001051713670 762771171 /nfs/dbraw/zinc/77/11/71/762771171.db2.gz UJBNXFWPPGDPQA-HOCLYGCPSA-N 1 2 337.383 0.531 20 30 ECEDLO Cc1nc(N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](O)C2)ccc1C#N ZINC001051787460 762959076 /nfs/dbraw/zinc/95/90/76/762959076.db2.gz AAJRALNAMAXJGF-LSDHHAIUSA-N 1 2 340.387 0.283 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2O)C1 ZINC000991758731 763284682 /nfs/dbraw/zinc/28/46/82/763284682.db2.gz CVPYOHNNOXBWFA-HIFRSBDPSA-N 1 2 346.431 0.695 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NCC1=CCN(c2ccnc(C#N)n2)CC1 ZINC001127674818 763288946 /nfs/dbraw/zinc/28/89/46/763288946.db2.gz NONQMXNQYOXPDA-UHFFFAOYSA-N 1 2 337.387 0.875 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3csnn3)C2)nc1 ZINC001051908072 763302256 /nfs/dbraw/zinc/30/22/56/763302256.db2.gz DDNXTGZJYMFIES-AWEZNQCLSA-N 1 2 343.412 0.545 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001014883775 763366346 /nfs/dbraw/zinc/36/63/46/763366346.db2.gz XWUABVSDNJDZSW-YPMHNXCESA-N 1 2 340.387 0.961 20 30 ECEDLO C=CCN1CC[C@@H](N2CC[NH+]([C@@H]3CCN(C(=O)C4CC4)C3)CC2)C1=O ZINC001051962292 763459822 /nfs/dbraw/zinc/45/98/22/763459822.db2.gz DAPFFZIDXIIRNU-IAGOWNOFSA-N 1 2 346.475 0.402 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN([C@@H]3CCN(C(=O)C4CC4)C3)CC2)C1=O ZINC001051962292 763459830 /nfs/dbraw/zinc/45/98/30/763459830.db2.gz DAPFFZIDXIIRNU-IAGOWNOFSA-N 1 2 346.475 0.402 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C2)CC1 ZINC001051976566 763494612 /nfs/dbraw/zinc/49/46/12/763494612.db2.gz FXXBZVDUVOZYAA-AWEZNQCLSA-N 1 2 331.420 0.590 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C2)CC1 ZINC001051977474 763496752 /nfs/dbraw/zinc/49/67/52/763496752.db2.gz XGXCXTLKRYVJTF-CQSZACIVSA-N 1 2 329.404 0.038 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3nc(C)oc3C)C2)nn1 ZINC001098756835 763545457 /nfs/dbraw/zinc/54/54/57/763545457.db2.gz FSHRLXYIIFUSIV-AWEZNQCLSA-N 1 2 328.376 0.693 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(Cc3cnsn3)CC2)C1 ZINC001051997531 763547386 /nfs/dbraw/zinc/54/73/86/763547386.db2.gz CWEGXWLSFDIXHB-OCCSQVGLSA-N 1 2 334.449 0.416 20 30 ECEDLO CCn1ncnc1CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001051998006 763549629 /nfs/dbraw/zinc/54/96/29/763549629.db2.gz MFNKQIIAGQPSCY-HUUCEWRRSA-N 1 2 345.451 0.176 20 30 ECEDLO Cc1cc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)ncn1 ZINC001051998000 763550364 /nfs/dbraw/zinc/55/03/64/763550364.db2.gz MCJSBNYMFRBCQH-PBHICJAKSA-N 1 2 342.447 0.663 20 30 ECEDLO CCn1ccc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)n1 ZINC001051998485 763551273 /nfs/dbraw/zinc/55/12/73/763551273.db2.gz UXBJGHVSOVJHDR-RDJZCZTQSA-N 1 2 344.463 0.781 20 30 ECEDLO Cc1nccnc1CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001051998712 763552454 /nfs/dbraw/zinc/55/24/54/763552454.db2.gz YWJOJDBJFAWXSG-GDBMZVCRSA-N 1 2 342.447 0.663 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cncnc3)C2)CC1 ZINC001052021152 763604482 /nfs/dbraw/zinc/60/44/82/763604482.db2.gz LSLMMZQASXFXQI-QGZVFWFLSA-N 1 2 327.432 0.261 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3nccc(C)n3)C2)CC1 ZINC001052022364 763606964 /nfs/dbraw/zinc/60/69/64/763606964.db2.gz UMHYPIQUZHPNAL-INIZCTEOSA-N 1 2 327.432 0.640 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccnn3C(F)F)C2)CC1 ZINC001052032315 763633227 /nfs/dbraw/zinc/63/32/27/763633227.db2.gz FLXMVLZPSIIMSC-CYBMUJFWSA-N 1 2 337.374 0.744 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)Cn3nccn3)C2)CC1 ZINC001052032095 763633748 /nfs/dbraw/zinc/63/37/48/763633748.db2.gz ACBMVSAZYGXCRN-CQSZACIVSA-N 1 2 338.843 0.249 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)C2CC2)C[C@H]1OC ZINC001212185089 763645129 /nfs/dbraw/zinc/64/51/29/763645129.db2.gz NFUBWQJUWBLRBS-HZPDHXFCSA-N 1 2 335.448 0.616 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)C2CC2)C[C@H]1OC ZINC001212185089 763645134 /nfs/dbraw/zinc/64/51/34/763645134.db2.gz NFUBWQJUWBLRBS-HZPDHXFCSA-N 1 2 335.448 0.616 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(OCC)n[nH]3)C2)CC1 ZINC001052041269 763665058 /nfs/dbraw/zinc/66/50/58/763665058.db2.gz XOCISFQLJNFHNE-HNNXBMFYSA-N 1 2 345.447 0.664 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(OCC)n[nH]3)C2)CC1 ZINC001052041269 763665065 /nfs/dbraw/zinc/66/50/65/763665065.db2.gz XOCISFQLJNFHNE-HNNXBMFYSA-N 1 2 345.447 0.664 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc4cccn4cn3)C2)CC1 ZINC001052041174 763665490 /nfs/dbraw/zinc/66/54/90/763665490.db2.gz USGKIFXQVLIYEF-QGZVFWFLSA-N 1 2 337.427 0.800 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc4cccn4cn3)C2)CC1 ZINC001052041174 763665497 /nfs/dbraw/zinc/66/54/97/763665497.db2.gz USGKIFXQVLIYEF-QGZVFWFLSA-N 1 2 337.427 0.800 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3cncs3)C2)CC1 ZINC001052041422 763666902 /nfs/dbraw/zinc/66/69/02/763666902.db2.gz HSLDORJFFNBPNN-OAHLLOKOSA-N 1 2 332.473 0.927 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C3CCC(C(N)=O)CC3)C2)CC1 ZINC001052045658 763683081 /nfs/dbraw/zinc/68/30/81/763683081.db2.gz VWLGYEKISUTBTK-JCYILVPMSA-N 1 2 346.475 0.130 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)C2)CC1 ZINC001052045684 763683396 /nfs/dbraw/zinc/68/33/96/763683396.db2.gz WJKBAWCFBWLCLP-SJORKVTESA-N 1 2 346.475 0.097 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)CC1 ZINC001052047598 763691091 /nfs/dbraw/zinc/69/10/91/763691091.db2.gz SGQLVQTXKSFNHQ-AEFFLSMTSA-N 1 2 340.427 0.732 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn4c3OCCC4)C2)CC1 ZINC001052047585 763691568 /nfs/dbraw/zinc/69/15/68/763691568.db2.gz RTROHJAFMPZCSY-CQSZACIVSA-N 1 2 344.419 0.021 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)CC1 ZINC001052048122 763693536 /nfs/dbraw/zinc/69/35/36/763693536.db2.gz LPHKGEKOEFHKKQ-KRWDZBQOSA-N 1 2 342.443 0.241 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccnc(OC)c3)C2)CC1 ZINC001052048609 763697870 /nfs/dbraw/zinc/69/78/70/763697870.db2.gz YYVIHDMQBOUMCK-INIZCTEOSA-N 1 2 328.416 0.556 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn(C)ccc3=O)C2)CC1 ZINC001052048904 763698977 /nfs/dbraw/zinc/69/89/77/763698977.db2.gz FWBAHJJLSDRBFT-OAHLLOKOSA-N 1 2 330.432 0.403 20 30 ECEDLO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn(C)ccc3=O)C2)CC1 ZINC001052048904 763698984 /nfs/dbraw/zinc/69/89/84/763698984.db2.gz FWBAHJJLSDRBFT-OAHLLOKOSA-N 1 2 330.432 0.403 20 30 ECEDLO Cn1c(Cl)ncc1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052051857 763713280 /nfs/dbraw/zinc/71/32/80/763713280.db2.gz DRUPXJCDLYHKFF-GFCCVEGCSA-N 1 2 336.827 0.429 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ncc4ccccn43)C2)CC1 ZINC001052052563 763715026 /nfs/dbraw/zinc/71/50/26/763715026.db2.gz QBCRPDPDYGDABQ-KRWDZBQOSA-N 1 2 337.427 0.800 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ncc4ccccn43)C2)CC1 ZINC001052052683 763716604 /nfs/dbraw/zinc/71/66/04/763716604.db2.gz ULMGBSLRBJIBLV-INIZCTEOSA-N 1 2 338.415 0.690 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn(C)nc3OC)C2)CC1 ZINC001052061067 763742662 /nfs/dbraw/zinc/74/26/62/763742662.db2.gz ROYMJZIULWVZGE-CQSZACIVSA-N 1 2 333.436 0.447 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn4cccnc34)C2)CC1 ZINC001052061010 763742961 /nfs/dbraw/zinc/74/29/61/763742961.db2.gz QLUGXNCXQZFWMN-AWEZNQCLSA-N 1 2 339.403 0.085 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(CCC)n[nH]3)C2)CC1 ZINC001052060992 763743223 /nfs/dbraw/zinc/74/32/23/763743223.db2.gz QCFFNOOSPJPUCL-INIZCTEOSA-N 1 2 329.448 0.828 20 30 ECEDLO C=C1CCC(C(=O)NCC2C[NH+](CC(=O)N3CCOCC3)C2)CC1 ZINC001031951122 763746773 /nfs/dbraw/zinc/74/67/73/763746773.db2.gz ARYRWUYHCCVMBR-UHFFFAOYSA-N 1 2 335.448 0.640 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCc4cccnc43)C2)CC1 ZINC001052068628 763763320 /nfs/dbraw/zinc/76/33/20/763763320.db2.gz LLAVPPHXKDELBF-MSOLQXFVSA-N 1 2 338.455 0.963 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(CC)nnc3C)CC2)C1 ZINC000941501729 763782581 /nfs/dbraw/zinc/78/25/81/763782581.db2.gz GFGURTNLDCCSJE-UHFFFAOYSA-N 1 2 327.432 0.423 20 30 ECEDLO C=CCC[NH+]1CCN([C@H]2CCN(C(=O)CCc3cnn[nH]3)C2)CC1 ZINC001052086945 763816120 /nfs/dbraw/zinc/81/61/20/763816120.db2.gz LORPIBHGHZGDJK-INIZCTEOSA-N 1 2 332.452 0.532 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccc4c3OCC4)C2)CC1 ZINC001052087497 763818408 /nfs/dbraw/zinc/81/84/08/763818408.db2.gz XOIMNONWNWCCNY-MRXNPFEDSA-N 1 2 340.427 0.977 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)Cn3cc(Cl)cn3)C2)CC1 ZINC001052087381 763818472 /nfs/dbraw/zinc/81/84/72/763818472.db2.gz UYMQKXQALBJUSO-INIZCTEOSA-N 1 2 349.866 0.778 20 30 ECEDLO C#Cc1cncc(C(=O)NCC2C[NH+](C[C@@H]3CCS(=O)(=O)C3)C2)c1 ZINC001031963563 763827129 /nfs/dbraw/zinc/82/71/29/763827129.db2.gz PBQUCBMGGJLLJL-AWEZNQCLSA-N 1 2 347.440 0.159 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#CC)CC3)C2)nn1 ZINC001052092957 763834546 /nfs/dbraw/zinc/83/45/46/763834546.db2.gz HTJCAWYUJRINOL-MRXNPFEDSA-N 1 2 342.447 0.320 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3cn[nH]c3)C2)CC1 ZINC001052093167 763836828 /nfs/dbraw/zinc/83/68/28/763836828.db2.gz KKUHBJOETGZZGO-QGZVFWFLSA-N 1 2 329.448 0.584 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCO[C@H]3C(=C)C)C2)CC1 ZINC001052097553 763851830 /nfs/dbraw/zinc/85/18/30/763851830.db2.gz ZNXAGTAMIBYIFW-BZSNNMDCSA-N 1 2 331.460 0.819 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc4ncccn4n3)C2)CC1 ZINC001052099533 763858697 /nfs/dbraw/zinc/85/86/97/763858697.db2.gz MBDUTKOBDRXACP-OAHLLOKOSA-N 1 2 340.431 0.747 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn(CCC)nn3)C2)CC1 ZINC001052102227 763865516 /nfs/dbraw/zinc/86/55/16/763865516.db2.gz CPMBYHBTZAMEBJ-OAHLLOKOSA-N 1 2 330.436 0.153 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn(CCC)nn3)C2)CC1 ZINC001052102227 763865523 /nfs/dbraw/zinc/86/55/23/763865523.db2.gz CPMBYHBTZAMEBJ-OAHLLOKOSA-N 1 2 330.436 0.153 20 30 ECEDLO CC[C@H]1CCCN1C(=O)C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052104269 763872154 /nfs/dbraw/zinc/87/21/54/763872154.db2.gz YJNXMSGFXCVXSM-HOTGVXAUSA-N 1 2 347.463 0.129 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn(CC4CC4)c3)C2)CC1 ZINC001052105569 763876911 /nfs/dbraw/zinc/87/69/11/763876911.db2.gz LTKZNFLTJFMKPU-QGZVFWFLSA-N 1 2 342.447 0.649 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)=O)C2)CC1 ZINC001052109679 763896943 /nfs/dbraw/zinc/89/69/43/763896943.db2.gz GIEJRBHSGSLNFM-MSOLQXFVSA-N 1 2 346.475 0.239 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn4cc[nH]c34)C2)CC1 ZINC001052112223 763906539 /nfs/dbraw/zinc/90/65/39/763906539.db2.gz PVFRFDXRACLBFZ-CQSZACIVSA-N 1 2 326.404 0.128 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCC(=O)N3C)C2)CC1 ZINC001052112833 763909331 /nfs/dbraw/zinc/90/93/31/763909331.db2.gz FRSZSZKBMFREDR-IRXDYDNUSA-N 1 2 348.491 0.792 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)CN3CCCCCC3=O)C2)CC1 ZINC001052116952 763925799 /nfs/dbraw/zinc/92/57/99/763925799.db2.gz CAQDVONMLVZINL-KRWDZBQOSA-N 1 2 346.475 0.241 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccnc3N(C)C)C2)CC1 ZINC001052117276 763926736 /nfs/dbraw/zinc/92/67/36/763926736.db2.gz JIWMABYMIABMRJ-MRXNPFEDSA-N 1 2 341.459 0.613 20 30 ECEDLO CN(C(=O)Cn1cccn1)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047302745 763930843 /nfs/dbraw/zinc/93/08/43/763930843.db2.gz PJMZJVGJLNRXIO-GJZGRUSLSA-N 1 2 345.428 0.520 20 30 ECEDLO CN(C(=O)Cn1cccn1)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047302745 763930850 /nfs/dbraw/zinc/93/08/50/763930850.db2.gz PJMZJVGJLNRXIO-GJZGRUSLSA-N 1 2 345.428 0.520 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(C(N)=O)nc3)C2)CC1 ZINC001052125591 763955152 /nfs/dbraw/zinc/95/51/52/763955152.db2.gz WNJVJKLGTVLZDS-HNNXBMFYSA-N 1 2 343.431 0.199 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)C3CCOCC3)C2)CC1 ZINC001052127343 763955827 /nfs/dbraw/zinc/95/58/27/763955827.db2.gz VUPHXCKCBUVBNL-WMZOPIPTSA-N 1 2 333.476 0.901 20 30 ECEDLO CN(C(=O)[C@H]1CCOC1)[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047321044 763986870 /nfs/dbraw/zinc/98/68/70/763986870.db2.gz BMXSKTFFJQFPLA-ULQDDVLXSA-N 1 2 329.400 0.598 20 30 ECEDLO CN(C(=O)[C@H]1CCOC1)[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047321044 763986875 /nfs/dbraw/zinc/98/68/75/763986875.db2.gz BMXSKTFFJQFPLA-ULQDDVLXSA-N 1 2 329.400 0.598 20 30 ECEDLO CN(C(=O)[C@H]1CCOC1)[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@@H]1O ZINC001047322564 763992942 /nfs/dbraw/zinc/99/29/42/763992942.db2.gz QPLGYCUWHFQOME-JQFCIGGWSA-N 1 2 347.390 0.737 20 30 ECEDLO CN(C(=O)[C@H]1CCOC1)[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1O ZINC001047322564 763992948 /nfs/dbraw/zinc/99/29/48/763992948.db2.gz QPLGYCUWHFQOME-JQFCIGGWSA-N 1 2 347.390 0.737 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2ccnc(OC)n2)C1 ZINC001031987317 763993606 /nfs/dbraw/zinc/99/36/06/763993606.db2.gz ICMKLUJWFMTBSW-CABCVRRESA-N 1 2 332.404 0.624 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NC[C@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001106041531 764044738 /nfs/dbraw/zinc/04/47/38/764044738.db2.gz BAQPPVGDQZFPRU-LLVKDONJSA-N 1 2 332.408 0.855 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1C[N@H+](Cc2ccns2)C[C@@H]1O ZINC001047353912 764091100 /nfs/dbraw/zinc/09/11/00/764091100.db2.gz PETJFOSCHVAJEI-KBPBESRZSA-N 1 2 331.401 0.660 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1C[N@@H+](Cc2ccns2)C[C@@H]1O ZINC001047353912 764091109 /nfs/dbraw/zinc/09/11/09/764091109.db2.gz PETJFOSCHVAJEI-KBPBESRZSA-N 1 2 331.401 0.660 20 30 ECEDLO Cn1ncc(C[N@@H+]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC001052287364 764197475 /nfs/dbraw/zinc/19/74/75/764197475.db2.gz GYCICAOYEIKKTH-CYBMUJFWSA-N 1 2 327.392 0.799 20 30 ECEDLO Cn1ncc(C[N@H+]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC001052287364 764197476 /nfs/dbraw/zinc/19/74/76/764197476.db2.gz GYCICAOYEIKKTH-CYBMUJFWSA-N 1 2 327.392 0.799 20 30 ECEDLO Cn1[nH]c(C[N@@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)CC2)nc1=O ZINC001052288501 764200717 /nfs/dbraw/zinc/20/07/17/764200717.db2.gz NEQQHQAUUSVOJS-LBPRGKRZSA-N 1 2 343.391 0.093 20 30 ECEDLO Cn1[nH]c(C[N@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)CC2)nc1=O ZINC001052288501 764200723 /nfs/dbraw/zinc/20/07/23/764200723.db2.gz NEQQHQAUUSVOJS-LBPRGKRZSA-N 1 2 343.391 0.093 20 30 ECEDLO C=CCn1cc(C(=O)NCC2C[NH+]([C@@H](C)c3cnccn3)C2)nn1 ZINC001032035640 764224957 /nfs/dbraw/zinc/22/49/57/764224957.db2.gz IPHATOOUQPIDGH-LBPRGKRZSA-N 1 2 327.392 0.677 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1OC ZINC001212188842 764310049 /nfs/dbraw/zinc/31/00/49/764310049.db2.gz FXTCWZDNMZLMPM-HZPDHXFCSA-N 1 2 335.448 0.618 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1OC ZINC001212188842 764310053 /nfs/dbraw/zinc/31/00/53/764310053.db2.gz FXTCWZDNMZLMPM-HZPDHXFCSA-N 1 2 335.448 0.618 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3cc(C)nn3c2C)C1 ZINC001077478643 764346387 /nfs/dbraw/zinc/34/63/87/764346387.db2.gz LHSIDFLALIDUBX-HUUCEWRRSA-N 1 2 327.388 0.144 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3cc(C)nn3c2C)C1 ZINC001077478643 764346390 /nfs/dbraw/zinc/34/63/90/764346390.db2.gz LHSIDFLALIDUBX-HUUCEWRRSA-N 1 2 327.388 0.144 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(-c3cccnc3)n2)C1 ZINC001047445074 764367876 /nfs/dbraw/zinc/36/78/76/764367876.db2.gz NQGUVAADAYRMTQ-HOTGVXAUSA-N 1 2 340.383 0.877 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(-c3cccnc3)n2)C1 ZINC001047445074 764367879 /nfs/dbraw/zinc/36/78/79/764367879.db2.gz NQGUVAADAYRMTQ-HOTGVXAUSA-N 1 2 340.383 0.877 20 30 ECEDLO COc1ccc(C[NH+]2CC(CNC(=O)c3nnc[nH]3)C2)cc1C#N ZINC001032060018 764371921 /nfs/dbraw/zinc/37/19/21/764371921.db2.gz DUKJNOLZGBTHTN-UHFFFAOYSA-N 1 2 326.360 0.547 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCCS2(=O)=O)C1 ZINC001047470929 764436376 /nfs/dbraw/zinc/43/63/76/764436376.db2.gz FSTLXCWVKWCSMD-RDBSUJKOSA-N 1 2 330.450 0.033 20 30 ECEDLO C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCCS2(=O)=O)C1 ZINC001047470929 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CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 ZINC001212253878 766506818 /nfs/dbraw/zinc/50/68/18/766506818.db2.gz KLCSGUJLYLGOHI-FVQBIDKESA-N 1 2 349.475 0.909 20 30 ECEDLO CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 ZINC001212253878 766506820 /nfs/dbraw/zinc/50/68/20/766506820.db2.gz KLCSGUJLYLGOHI-FVQBIDKESA-N 1 2 349.475 0.909 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)s2)C[C@H]1OC ZINC001212255069 766545362 /nfs/dbraw/zinc/54/53/62/766545362.db2.gz BYDPMKKNCASLQI-KCPJHIHWSA-N 1 2 337.445 0.805 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cnc(C)s2)C[C@H]1OC ZINC001212255069 766545368 /nfs/dbraw/zinc/54/53/68/766545368.db2.gz BYDPMKKNCASLQI-KCPJHIHWSA-N 1 2 337.445 0.805 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(C(=O)NC)nc1)O2 ZINC001053686273 766587517 /nfs/dbraw/zinc/58/75/17/766587517.db2.gz LLRDJZLTXPZDBC-CQSZACIVSA-N 1 2 344.415 0.590 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccc(C(=O)NC)n1)O2 ZINC001053693639 766602727 /nfs/dbraw/zinc/60/27/27/766602727.db2.gz HFLHGHJPABFMSU-ZDUSSCGKSA-N 1 2 344.415 0.590 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2conc2CC)C[C@H]1OC ZINC001212258413 766606375 /nfs/dbraw/zinc/60/63/75/766606375.db2.gz SJWXULSUWZDQRE-DAXOMENPSA-N 1 2 335.404 0.591 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2conc2CC)C[C@H]1OC ZINC001212258413 766606382 /nfs/dbraw/zinc/60/63/82/766606382.db2.gz SJWXULSUWZDQRE-DAXOMENPSA-N 1 2 335.404 0.591 20 30 ECEDLO C[C@H](CC(=O)NC[C@H](O)CNc1ccc(C#N)nc1)n1cc[nH+]c1 ZINC001106132398 766614837 /nfs/dbraw/zinc/61/48/37/766614837.db2.gz ZVBMBSYIQIPDRA-IUODEOHRSA-N 1 2 328.376 0.690 20 30 ECEDLO C[C@@H](CC(=O)NC[C@@H](O)CNc1ccc(C#N)nc1)n1cc[nH+]c1 ZINC001106132400 766615160 /nfs/dbraw/zinc/61/51/60/766615160.db2.gz ZVBMBSYIQIPDRA-WFASDCNBSA-N 1 2 328.376 0.690 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccnc1C(N)=O)O2 ZINC001053700489 766620107 /nfs/dbraw/zinc/62/01/07/766620107.db2.gz WCJBGYCTRQBFRT-LBPRGKRZSA-N 1 2 330.388 0.330 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(C(N)=O)nc1)O2 ZINC001053704098 766628756 /nfs/dbraw/zinc/62/87/56/766628756.db2.gz VVSKYVJWBQHWRF-CYBMUJFWSA-N 1 2 330.388 0.330 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)O2 ZINC001053704657 766629637 /nfs/dbraw/zinc/62/96/37/766629637.db2.gz LETZBORQXXZBLC-KBPBESRZSA-N 1 2 336.436 0.455 20 30 ECEDLO CCc1nc(CN2CC[C@@H]([NH+]3CCN(C(=O)[C@H](C)C#N)CC3)C2)no1 ZINC001046012925 766641569 /nfs/dbraw/zinc/64/15/69/766641569.db2.gz RQDADJDFDHBBQG-ZIAGYGMSSA-N 1 2 346.435 0.510 20 30 ECEDLO C=CCOCC(=O)NC[C@@H](C)N(CC)c1[nH+]cnc2c1cnn2C ZINC001089618032 766662344 /nfs/dbraw/zinc/66/23/44/766662344.db2.gz AMILPNVIIDVPSR-GFCCVEGCSA-N 1 2 332.408 0.897 20 30 ECEDLO Cc1nonc1C[N@@H+]1CC[C@@H](N2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001046027138 766685572 /nfs/dbraw/zinc/68/55/72/766685572.db2.gz ILGSVFUZFIXESK-MRXNPFEDSA-N 1 2 343.431 0.510 20 30 ECEDLO Cc1nonc1C[N@H+]1CC[C@@H](N2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001046027138 766685579 /nfs/dbraw/zinc/68/55/79/766685579.db2.gz ILGSVFUZFIXESK-MRXNPFEDSA-N 1 2 343.431 0.510 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cn4c(n3)CCCC4)CC2)C1 ZINC001046034208 766712750 /nfs/dbraw/zinc/71/27/50/766712750.db2.gz RLZYXCJEACTAOD-OAHLLOKOSA-N 1 2 342.447 0.575 20 30 ECEDLO Cc1cc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)c(C)nn1 ZINC001046034113 766713232 /nfs/dbraw/zinc/71/32/32/766713232.db2.gz PJGLAANVTVFFOV-HNNXBMFYSA-N 1 2 328.420 0.449 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)Cc3cc(C4CC4)no3)CC2)C1 ZINC001046035608 766723347 /nfs/dbraw/zinc/72/33/47/766723347.db2.gz QMONYHYIJUSVEL-HNNXBMFYSA-N 1 2 343.431 0.837 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cccc(C(N)=O)c3)CC2)C1 ZINC001046041077 766750516 /nfs/dbraw/zinc/75/05/16/766750516.db2.gz NRLJWMCZZJGMLQ-MRXNPFEDSA-N 1 2 341.415 0.141 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3ncc4ccccn43)CC2)C1 ZINC001046044318 766765902 /nfs/dbraw/zinc/76/59/02/766765902.db2.gz SWJLZKWMWGLGLW-MRXNPFEDSA-N 1 2 338.415 0.690 20 30 ECEDLO Cc1nc(C)c(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)nc1C ZINC001046045541 766771907 /nfs/dbraw/zinc/77/19/07/766771907.db2.gz ZINHRSKOGFPUGZ-INIZCTEOSA-N 1 2 342.447 0.758 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)CCc3ccc(=O)[nH]c3)CC2)C1 ZINC001046055958 766808393 /nfs/dbraw/zinc/80/83/93/766808393.db2.gz LPPBGRBGLILBGH-MRXNPFEDSA-N 1 2 343.431 0.462 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3Cc4ccncc4C3)CC2)C1 ZINC001046064157 766841658 /nfs/dbraw/zinc/84/16/58/766841658.db2.gz GWPCYUWVVJELCS-AEFFLSMTSA-N 1 2 339.443 0.538 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)Cn3cc(Cl)cn3)CC2)C1 ZINC001046065488 766849436 /nfs/dbraw/zinc/84/94/36/766849436.db2.gz AEOFISGHVRKCID-CQSZACIVSA-N 1 2 336.827 0.279 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)CCC3CCOCC3)CC2)C1 ZINC001046071068 766876061 /nfs/dbraw/zinc/87/60/61/766876061.db2.gz SCKFFCHMIHLROY-KRWDZBQOSA-N 1 2 334.464 0.935 20 30 ECEDLO Cc1c[nH+]c2cc(C(=O)N[C@H]3COC4(CN(CC#N)C4)C3)ccn12 ZINC001053801016 766884333 /nfs/dbraw/zinc/88/43/33/766884333.db2.gz BZNKJIDUIVAZKG-CQSZACIVSA-N 1 2 325.372 0.739 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](O)CNc1ncccc1C#N ZINC001106135188 766899780 /nfs/dbraw/zinc/89/97/80/766899780.db2.gz OERBMVFFPNYDON-RISCZKNCSA-N 1 2 328.376 0.444 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](O)CNc1ncccc1C#N ZINC001106135188 766899791 /nfs/dbraw/zinc/89/97/91/766899791.db2.gz OERBMVFFPNYDON-RISCZKNCSA-N 1 2 328.376 0.444 20 30 ECEDLO COc1ccccc1CC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046083510 766922810 /nfs/dbraw/zinc/92/28/10/766922810.db2.gz SAHWOZPHWJENIP-QGZVFWFLSA-N 1 2 342.443 0.980 20 30 ECEDLO CC(C)c1ncncc1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046084189 766924337 /nfs/dbraw/zinc/92/43/37/766924337.db2.gz LWABNWBXDOGYIL-HNNXBMFYSA-N 1 2 342.447 0.956 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc3[nH]cnc3c1)CO2 ZINC001053819830 766931183 /nfs/dbraw/zinc/93/11/83/766931183.db2.gz KAAHUQWKUBNKPL-CYBMUJFWSA-N 1 2 325.372 0.554 20 30 ECEDLO C=CCC1(C(=O)NCC2(O)CN(C(=O)CCc3[nH]cc[nH+]3)C2)CCC1 ZINC001046119915 766949149 /nfs/dbraw/zinc/94/91/49/766949149.db2.gz MGSVUOULDDCNMV-UHFFFAOYSA-N 1 2 346.431 0.778 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc3nccnc3c1)CO2 ZINC001053831551 766966704 /nfs/dbraw/zinc/96/67/04/766966704.db2.gz IUYPTGJBCQZRTJ-AWEZNQCLSA-N 1 2 337.383 0.621 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3nc[nH]c3n1)CO2 ZINC001053843918 766998442 /nfs/dbraw/zinc/99/84/42/766998442.db2.gz ZKKFIGXVSFVAEQ-GFCCVEGCSA-N 1 2 325.372 0.554 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCn3cncc3C1)CO2 ZINC001053850844 767017203 /nfs/dbraw/zinc/01/72/03/767017203.db2.gz GMTBMKYIBXDIMP-CABCVRRESA-N 1 2 328.416 0.428 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3nccn3C1)CO2 ZINC001053851784 767022270 /nfs/dbraw/zinc/02/22/70/767022270.db2.gz AVTAOHNEYCVMNM-CABCVRRESA-N 1 2 328.416 0.428 20 30 ECEDLO CC#CCN1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3[nH+]ccn3C1)CO2 ZINC001053852215 767022391 /nfs/dbraw/zinc/02/23/91/767022391.db2.gz ILMQEMXFFRHFFE-LSDHHAIUSA-N 1 2 328.416 0.428 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3nnc(C)n3c1)CO2 ZINC001053853654 767026734 /nfs/dbraw/zinc/02/67/34/767026734.db2.gz LFHDULZPHKRAMY-HNNXBMFYSA-N 1 2 339.399 0.634 20 30 ECEDLO C#CCCN1CC2(C1)C[C@H](NC(=O)c1cc(C[NH+](C)C)on1)CO2 ZINC001053853901 767028730 /nfs/dbraw/zinc/02/87/30/767028730.db2.gz PUMYIHBUSAXIGQ-ZDUSSCGKSA-N 1 2 332.404 0.333 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)CO2 ZINC001053865384 767070760 /nfs/dbraw/zinc/07/07/60/767070760.db2.gz XYKAOFVLTSBREY-KBPBESRZSA-N 1 2 342.461 0.347 20 30 ECEDLO C=C(Br)CN1CC[C@@](C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001046217957 767082646 /nfs/dbraw/zinc/08/26/46/767082646.db2.gz IQUSQQYEGDBNPC-GXTWGEPZSA-N 1 2 346.269 0.806 20 30 ECEDLO C=C(Br)CN1CC[C@@](C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001046217957 767082650 /nfs/dbraw/zinc/08/26/50/767082650.db2.gz IQUSQQYEGDBNPC-GXTWGEPZSA-N 1 2 346.269 0.806 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2COCCN2C)C1 ZINC001046248553 767108436 /nfs/dbraw/zinc/10/84/36/767108436.db2.gz PIWUBOCAYLBCTP-OCCSQVGLSA-N 1 2 346.269 0.806 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2COCCN2C)C1 ZINC001046248553 767108437 /nfs/dbraw/zinc/10/84/37/767108437.db2.gz PIWUBOCAYLBCTP-OCCSQVGLSA-N 1 2 346.269 0.806 20 30 ECEDLO CCn1nncc1C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046250776 767109678 /nfs/dbraw/zinc/10/96/78/767109678.db2.gz FIDXEBMLEQCRDX-INIZCTEOSA-N 1 2 327.392 0.892 20 30 ECEDLO CCn1nncc1C[N@H+]1CC[C@](C)(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046250776 767109681 /nfs/dbraw/zinc/10/96/81/767109681.db2.gz FIDXEBMLEQCRDX-INIZCTEOSA-N 1 2 327.392 0.892 20 30 ECEDLO Cn1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]32)nn1 ZINC001042016843 782604712 /nfs/dbraw/zinc/60/47/12/782604712.db2.gz VHNOGJBPLZMYLL-WBMJQRKESA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1cc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]32)nn1 ZINC001042016843 782604713 /nfs/dbraw/zinc/60/47/13/782604713.db2.gz VHNOGJBPLZMYLL-WBMJQRKESA-N 1 2 339.403 0.751 20 30 ECEDLO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001046311912 767141035 /nfs/dbraw/zinc/14/10/35/767141035.db2.gz MGRBRCLYQFYDJR-CYBMUJFWSA-N 1 2 346.431 0.634 20 30 ECEDLO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001046311912 767141036 /nfs/dbraw/zinc/14/10/36/767141036.db2.gz MGRBRCLYQFYDJR-CYBMUJFWSA-N 1 2 346.431 0.634 20 30 ECEDLO CC(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001046375481 767179374 /nfs/dbraw/zinc/17/93/74/767179374.db2.gz COWHKJBEJIFKRA-CYBMUJFWSA-N 1 2 344.415 0.179 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)[C@H](OC)C1 ZINC001212297573 767182732 /nfs/dbraw/zinc/18/27/32/767182732.db2.gz GJDWMHNVKCDJBY-BSDSXHPESA-N 1 2 343.427 0.650 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)[C@H](OC)C1 ZINC001212297573 767182733 /nfs/dbraw/zinc/18/27/33/767182733.db2.gz GJDWMHNVKCDJBY-BSDSXHPESA-N 1 2 343.427 0.650 20 30 ECEDLO C#CCNC(=O)CC(=O)N1CCCC[C@@H]1CN(C)c1cc[nH+]c(C)n1 ZINC001089790299 767186694 /nfs/dbraw/zinc/18/66/94/767186694.db2.gz UEUFGCVRBPMAPG-OAHLLOKOSA-N 1 2 343.431 0.742 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](NC(=O)C2(C)CC2)[C@H](OC)C1 ZINC001212301097 767189883 /nfs/dbraw/zinc/18/98/83/767189883.db2.gz CBMURVUHNBPFOX-ZIAGYGMSSA-N 1 2 336.436 0.364 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](NC(=O)C2(C)CC2)[C@H](OC)C1 ZINC001212301097 767189886 /nfs/dbraw/zinc/18/98/86/767189886.db2.gz CBMURVUHNBPFOX-ZIAGYGMSSA-N 1 2 336.436 0.364 20 30 ECEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001031779594 767195328 /nfs/dbraw/zinc/19/53/28/767195328.db2.gz WDCKGOOZIUGVEW-NSHDSACASA-N 1 2 325.800 0.347 20 30 ECEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CCC(=O)NC3)C2)ccc1F ZINC001031804268 767237093 /nfs/dbraw/zinc/23/70/93/767237093.db2.gz VTZUPRQFMADIEH-AWEZNQCLSA-N 1 2 344.390 0.772 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3[nH]c(=O)[nH]c3n1)CO2 ZINC001053907567 767325663 /nfs/dbraw/zinc/32/56/63/767325663.db2.gz ZLARERSLFFKDCV-NSHDSACASA-N 1 2 341.371 0.260 20 30 ECEDLO C#Cc1cncc(C(=O)NCC[C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)c1 ZINC001078288955 782621715 /nfs/dbraw/zinc/62/17/15/782621715.db2.gz XNVVGCFCCYNEAK-LBPRGKRZSA-N 1 2 339.399 0.962 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3ncn(C)c3n1)CO2 ZINC001053923863 767370454 /nfs/dbraw/zinc/37/04/54/767370454.db2.gz DVYANCZSLGEUEK-CYBMUJFWSA-N 1 2 339.399 0.565 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC001046619659 767374688 /nfs/dbraw/zinc/37/46/88/767374688.db2.gz XVUKKTIHEVMZTE-WWGRRREGSA-N 1 2 343.855 0.955 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC001046619659 767374692 /nfs/dbraw/zinc/37/46/92/767374692.db2.gz XVUKKTIHEVMZTE-WWGRRREGSA-N 1 2 343.855 0.955 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1nccn3ccnc13)CO2 ZINC001053930119 767391754 /nfs/dbraw/zinc/39/17/54/767391754.db2.gz PDUWQSPFAHMCHX-ZDUSSCGKSA-N 1 2 325.372 0.326 20 30 ECEDLO C#CCN1CC2(C1)C[C@@H](NC(=O)C1([NH+]3CCOCC3)CCCC1)CO2 ZINC001053944753 767419795 /nfs/dbraw/zinc/41/97/95/767419795.db2.gz GUPSKZLHKKFZFX-MRXNPFEDSA-N 1 2 347.459 0.224 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C3CC4(CC4)C3)[C@@H](O)C2)C1=O ZINC001083768278 767426293 /nfs/dbraw/zinc/42/62/93/767426293.db2.gz SFWLVKOAEHFRHO-KFWWJZLASA-N 1 2 333.432 0.125 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C3CC4(CC4)C3)[C@@H](O)C2)C1=O ZINC001083768278 767426295 /nfs/dbraw/zinc/42/62/95/767426295.db2.gz SFWLVKOAEHFRHO-KFWWJZLASA-N 1 2 333.432 0.125 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C1(N3CCOCC3)CCC1)CO2 ZINC001053970820 767494470 /nfs/dbraw/zinc/49/44/70/767494470.db2.gz XGDQMMDEDXWIMU-MRXNPFEDSA-N 1 2 349.475 0.777 20 30 ECEDLO C#CCN1CC2(C1)C[C@@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)CO2 ZINC001053972248 767497591 /nfs/dbraw/zinc/49/75/91/767497591.db2.gz AEZFZEJJWRCKML-CQSZACIVSA-N 1 2 337.383 0.474 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001017056204 767524680 /nfs/dbraw/zinc/52/46/80/767524680.db2.gz HWTKFEYSHINRSU-AXVKAWJUSA-N 1 2 332.404 0.649 20 30 ECEDLO C[C@H](C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1)Nc1ccnc(C#N)n1 ZINC001089306692 767542021 /nfs/dbraw/zinc/54/20/21/767542021.db2.gz QXSPWOMSZOGQLR-NEPJUHHUSA-N 1 2 327.392 0.821 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CCCCC(=O)N1)CO2 ZINC001053993556 767547950 /nfs/dbraw/zinc/54/79/50/767547950.db2.gz OOHHZBFTIZLIKT-CABCVRRESA-N 1 2 333.432 0.418 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C1CCN(C(N)=O)CC1)CO2 ZINC001054003824 767570047 /nfs/dbraw/zinc/57/00/47/767570047.db2.gz BOVUATQEJRKWTB-AWEZNQCLSA-N 1 2 336.436 0.313 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@@H+]1Cc1cnnn1C ZINC000993207096 768488655 /nfs/dbraw/zinc/48/86/55/768488655.db2.gz LJPMIKQFUOIACP-RISCZKNCSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@H+]1Cc1cnnn1C ZINC000993207096 768488658 /nfs/dbraw/zinc/48/86/58/768488658.db2.gz LJPMIKQFUOIACP-RISCZKNCSA-N 1 2 327.392 0.798 20 30 ECEDLO N#Cc1cncc(N[C@@H]2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]23)n1 ZINC001060541559 768659589 /nfs/dbraw/zinc/65/95/89/768659589.db2.gz QVVKNGOODCDACX-KWCYVHTRSA-N 1 2 337.387 0.963 20 30 ECEDLO N#Cc1nccnc1N[C@@H]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC001060542107 768673930 /nfs/dbraw/zinc/67/39/30/768673930.db2.gz YQVXAWNVFPBHNO-RWMBFGLXSA-N 1 2 337.387 0.963 20 30 ECEDLO C[C@@H]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cn1cc[nH+]c1 ZINC001018071283 768685580 /nfs/dbraw/zinc/68/55/80/768685580.db2.gz RHERWDXWQOLFAC-OCCSQVGLSA-N 1 2 340.387 0.892 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001055314316 768770930 /nfs/dbraw/zinc/77/09/30/768770930.db2.gz XBUWHFBWGNOFHG-GASCZTMLSA-N 1 2 328.416 0.919 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001055313984 768771378 /nfs/dbraw/zinc/77/13/78/768771378.db2.gz LJAXIXOIGKFYTF-JKIFEVAISA-N 1 2 332.404 0.127 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)CSC)C2)CC1 ZINC001018353309 769167390 /nfs/dbraw/zinc/16/73/90/769167390.db2.gz DGQHRBYQXNNQJP-AWEZNQCLSA-N 1 2 325.478 0.918 20 30 ECEDLO N#Cc1nccnc1N1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001055583813 769183134 /nfs/dbraw/zinc/18/31/34/769183134.db2.gz FFPHUSYOLKVDNM-SJCJKPOMSA-N 1 2 337.387 0.789 20 30 ECEDLO C=CCCCC(=O)NC1CC[NH+](CCNC(=O)c2ncn[nH]2)CC1 ZINC001055613734 769255351 /nfs/dbraw/zinc/25/53/51/769255351.db2.gz KQEFJFGZERPGLB-UHFFFAOYSA-N 1 2 334.424 0.471 20 30 ECEDLO C=CC(C)(C)CC(=O)NC1CC[NH+](CCNC(=O)c2ncn[nH]2)CC1 ZINC001055614211 769257141 /nfs/dbraw/zinc/25/71/41/769257141.db2.gz RBSRGQPUPWNYEG-UHFFFAOYSA-N 1 2 348.451 0.717 20 30 ECEDLO C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1c[nH+]cn1C ZINC000993603782 769348700 /nfs/dbraw/zinc/34/87/00/769348700.db2.gz SXSVQDNKKRAYJJ-DTZQCDIJSA-N 1 2 340.427 0.900 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H](NC(=O)C(N)=O)[C@@H]1C ZINC000993751970 769554733 /nfs/dbraw/zinc/55/47/33/769554733.db2.gz SXULBDFAFIKZIL-FZMZJTMJSA-N 1 2 330.388 0.521 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](NC(=O)C(N)=O)[C@@H]1C ZINC000993751970 769554737 /nfs/dbraw/zinc/55/47/37/769554737.db2.gz SXULBDFAFIKZIL-FZMZJTMJSA-N 1 2 330.388 0.521 20 30 ECEDLO C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001055823535 769857353 /nfs/dbraw/zinc/85/73/53/769857353.db2.gz DYVKNQHSBBHUBR-SFHVURJKSA-N 1 2 348.447 0.789 20 30 ECEDLO C#CCCCCC(=O)N[C@@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001055895619 770125825 /nfs/dbraw/zinc/12/58/25/770125825.db2.gz XLXIOKAMQFQWKP-SFHVURJKSA-N 1 2 346.431 0.546 20 30 ECEDLO Cc1noc(C[NH2+]C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCCO2)n1 ZINC001078381599 782814582 /nfs/dbraw/zinc/81/45/82/782814582.db2.gz UEJTYZJQPJXGMR-AWEZNQCLSA-N 1 2 344.375 0.599 20 30 ECEDLO C#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001055913317 770194894 /nfs/dbraw/zinc/19/48/94/770194894.db2.gz ZHQRNIWVQXXXNU-SFHVURJKSA-N 1 2 346.431 0.546 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(CC)CCNc1[nH+]cnc2c1cnn2C ZINC001106852579 770341037 /nfs/dbraw/zinc/34/10/37/770341037.db2.gz JCFPJOYDURQTTD-LBPRGKRZSA-N 1 2 330.392 0.662 20 30 ECEDLO C=C(C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001055972841 770407411 /nfs/dbraw/zinc/40/74/11/770407411.db2.gz MNWTXNRTVLERHS-KRWDZBQOSA-N 1 2 334.420 0.778 20 30 ECEDLO C#Cc1ccccc1CC(=O)NC1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001031313376 770431045 /nfs/dbraw/zinc/43/10/45/770431045.db2.gz KTPCGDSZCWDUOA-SFHVURJKSA-N 1 2 338.411 0.268 20 30 ECEDLO C#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001055987317 770460540 /nfs/dbraw/zinc/46/05/40/770460540.db2.gz OGFDVGCCEQHCFR-GOSISDBHSA-N 1 2 346.431 0.616 20 30 ECEDLO C#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001055987317 770460544 /nfs/dbraw/zinc/46/05/44/770460544.db2.gz OGFDVGCCEQHCFR-GOSISDBHSA-N 1 2 346.431 0.616 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@@H]1C ZINC000994381725 770699766 /nfs/dbraw/zinc/69/97/66/770699766.db2.gz YPRVTYQMYNAARU-RYUDHWBXSA-N 1 2 327.812 0.857 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@@H]1C ZINC000994381725 770699768 /nfs/dbraw/zinc/69/97/68/770699768.db2.gz YPRVTYQMYNAARU-RYUDHWBXSA-N 1 2 327.812 0.857 20 30 ECEDLO CN(C)c1noc(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCCO2)n1 ZINC001078397643 782867254 /nfs/dbraw/zinc/86/72/54/782867254.db2.gz BOWGGXIESMPVKE-CQSZACIVSA-N 1 2 347.419 0.256 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001019136047 770896041 /nfs/dbraw/zinc/89/60/41/770896041.db2.gz KZIPTXGZGPWVTI-KGLIPLIRSA-N 1 2 341.415 0.666 20 30 ECEDLO O=C(C#CC1CC1)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001019147718 770926180 /nfs/dbraw/zinc/92/61/80/770926180.db2.gz CIXYOCWSAHSFAH-HUUCEWRRSA-N 1 2 338.411 0.988 20 30 ECEDLO O=C(C#CC1CC1)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001019147718 770926183 /nfs/dbraw/zinc/92/61/83/770926183.db2.gz CIXYOCWSAHSFAH-HUUCEWRRSA-N 1 2 338.411 0.988 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC[C@](CO)(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001056158764 770957550 /nfs/dbraw/zinc/95/75/50/770957550.db2.gz BJSLXBUKDNENMU-KRWDZBQOSA-N 1 2 334.420 0.634 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060693153 770957934 /nfs/dbraw/zinc/95/79/34/770957934.db2.gz QDEKTXCSGHAVHK-HDJSIYSDSA-N 1 2 334.420 0.946 20 30 ECEDLO CCc1nc(C#N)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cc[nH+]c2)n1 ZINC001056248184 771036837 /nfs/dbraw/zinc/03/68/37/771036837.db2.gz ZVUQNZPEPRQTCV-LAQFHYBYSA-N 1 2 337.387 0.358 20 30 ECEDLO C#CCOCCC(=O)N[C@H](C)C[C@@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001089396769 771041893 /nfs/dbraw/zinc/04/18/93/771041893.db2.gz PSBOGLFCWUGVHB-CHWSQXEVSA-N 1 2 348.451 0.981 20 30 ECEDLO CCc1nc(C#N)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001056275410 771072011 /nfs/dbraw/zinc/07/20/11/771072011.db2.gz GWFPCUDVCSDCBR-PBKGOJFUSA-N 1 2 337.387 0.427 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC001056304976 771097569 /nfs/dbraw/zinc/09/75/69/771097569.db2.gz AYDDKQHKLKNFCQ-CABCVRRESA-N 1 2 332.404 0.678 20 30 ECEDLO N#Cc1nccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCn3c[nH+]cc3C2)n1 ZINC001056327183 771130950 /nfs/dbraw/zinc/13/09/50/771130950.db2.gz QIZZAZYELKAHBX-CVGURMSBSA-N 1 2 349.398 0.358 20 30 ECEDLO N#Cc1nccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCn3cc[nH+]c3C2)n1 ZINC001056334238 771141235 /nfs/dbraw/zinc/14/12/35/771141235.db2.gz ZQEMJHLBRWJKPK-FJZAXULXSA-N 1 2 349.398 0.358 20 30 ECEDLO N#Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCc3c[nH+]cn3C2)nn1 ZINC001056335779 771142894 /nfs/dbraw/zinc/14/28/94/771142894.db2.gz LEHMMODPRQTHDW-LCSDZXHASA-N 1 2 349.398 0.358 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC001056401760 771226970 /nfs/dbraw/zinc/22/69/70/771226970.db2.gz KCHCCDGWVOVDOE-OAGGEKHMSA-N 1 2 344.415 0.513 20 30 ECEDLO CCc1nc(C#N)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001056428350 771256422 /nfs/dbraw/zinc/25/64/22/771256422.db2.gz JVZYMAVLARWCQI-LAQFHYBYSA-N 1 2 337.387 0.427 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3COCCO3)C2)c(F)c1 ZINC001031554448 771270424 /nfs/dbraw/zinc/27/04/24/771270424.db2.gz WLHXZPZEXCGECJ-MRXNPFEDSA-N 1 2 333.363 0.661 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)N3CCCCC3)C[C@@H]2O)C1 ZINC001083758819 771305384 /nfs/dbraw/zinc/30/53/84/771305384.db2.gz UTYXBUPHZAXEMX-OAGGEKHMSA-N 1 2 349.475 0.905 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)N3CCCCC3)C[C@@H]2O)C1 ZINC001083758819 771305389 /nfs/dbraw/zinc/30/53/89/771305389.db2.gz UTYXBUPHZAXEMX-OAGGEKHMSA-N 1 2 349.475 0.905 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3csnn3)C2)nn1 ZINC001019493542 771358474 /nfs/dbraw/zinc/35/84/74/771358474.db2.gz CMEAOYXSRBVCSZ-NSHDSACASA-N 1 2 333.421 0.710 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060733681 771370962 /nfs/dbraw/zinc/37/09/62/771370962.db2.gz VJPNIANDBNQJHL-KKUMJFAQSA-N 1 2 346.431 0.782 20 30 ECEDLO CO[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)C#CC(C)C ZINC001212241466 771384739 /nfs/dbraw/zinc/38/47/39/771384739.db2.gz RXRWXLWGCKDHPH-BRWVUGGUSA-N 1 2 347.459 0.615 20 30 ECEDLO CO[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)C#CC(C)C ZINC001212241466 771384745 /nfs/dbraw/zinc/38/47/45/771384745.db2.gz RXRWXLWGCKDHPH-BRWVUGGUSA-N 1 2 347.459 0.615 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056572142 771392998 /nfs/dbraw/zinc/39/29/98/771392998.db2.gz GDHVYYWUZFBZGM-CABCVRRESA-N 1 2 332.404 0.747 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000994616788 771439560 /nfs/dbraw/zinc/43/95/60/771439560.db2.gz SFMMAQXJLVTVRP-CFVMTHIKSA-N 1 2 344.415 0.364 20 30 ECEDLO N#Cc1cccnc1N1CCCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001089548785 771454430 /nfs/dbraw/zinc/45/44/30/771454430.db2.gz OOIYCZJPRNFEND-AWEZNQCLSA-N 1 2 340.387 0.631 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCc4c[nH+]cn4C3)C2)cn1 ZINC000994624080 771479396 /nfs/dbraw/zinc/47/93/96/771479396.db2.gz IFFJNJDAJHLHRG-AWEZNQCLSA-N 1 2 349.394 0.463 20 30 ECEDLO CC(C)C#CC(=O)N1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001056662747 771483739 /nfs/dbraw/zinc/48/37/39/771483739.db2.gz FAFFUTRNOYEFLD-JKSUJKDBSA-N 1 2 328.416 0.992 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000994647484 771520138 /nfs/dbraw/zinc/52/01/38/771520138.db2.gz ZWGPJKPROYPVMH-TUVASFSCSA-N 1 2 346.431 0.754 20 30 ECEDLO CC(=O)N1CC(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001031636628 771556520 /nfs/dbraw/zinc/55/65/20/771556520.db2.gz JDGFBRJJOYADCH-UHFFFAOYSA-N 1 2 344.390 0.724 20 30 ECEDLO N#Cc1cncc(N[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)n1 ZINC001056724819 771559725 /nfs/dbraw/zinc/55/97/25/771559725.db2.gz MYOJUKUGIWCZRS-QWHCGFSZSA-N 1 2 337.387 0.820 20 30 ECEDLO C=CCOCC(=O)N1C[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001056725318 771560777 /nfs/dbraw/zinc/56/07/77/771560777.db2.gz MGXHBMLRFOZZSN-DZGCQCFKSA-N 1 2 332.404 0.604 20 30 ECEDLO N#Cc1cnccc1N[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001056726149 771560895 /nfs/dbraw/zinc/56/08/95/771560895.db2.gz SWYLBZZKQAHQSR-UKRRQHHQSA-N 1 2 336.399 0.847 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001056782917 771634440 /nfs/dbraw/zinc/63/44/40/771634440.db2.gz SHQANOZDYXVXHY-BZPMIXESSA-N 1 2 342.403 0.967 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](Nc2nccnc2C#N)C1 ZINC001056796155 771654689 /nfs/dbraw/zinc/65/46/89/771654689.db2.gz BXNWGIDXRCKLHI-VXGBXAGGSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](Nc2nccnc2C#N)C1 ZINC001056796155 771654691 /nfs/dbraw/zinc/65/46/91/771654691.db2.gz BXNWGIDXRCKLHI-VXGBXAGGSA-N 1 2 325.376 0.963 20 30 ECEDLO CN(C)c1nc(C[NH2+][C@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)ns1 ZINC001020088742 772144696 /nfs/dbraw/zinc/14/46/96/772144696.db2.gz WCBPESPKFTTXOT-XYPYZODXSA-N 1 2 345.432 0.854 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCCN(c2nc(C)cc(C#N)n2)CC1 ZINC001057162415 772196661 /nfs/dbraw/zinc/19/66/61/772196661.db2.gz ICHMAVFCQSUUMC-UHFFFAOYSA-N 1 2 339.403 0.970 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001020250830 772352407 /nfs/dbraw/zinc/35/24/07/772352407.db2.gz TWTVCEJAVVYIOC-KKUMJFAQSA-N 1 2 342.447 0.517 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CCCN(c2nccnc2C#N)CC1 ZINC001057263055 772369153 /nfs/dbraw/zinc/36/91/53/772369153.db2.gz CCLSHJQLSHDXAZ-UHFFFAOYSA-N 1 2 339.403 0.753 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NCCN(CCO)C(=O)C#CC(C)(C)C ZINC001057538565 772733871 /nfs/dbraw/zinc/73/38/71/772733871.db2.gz CNBZSYRBEJTGAN-UHFFFAOYSA-N 1 2 334.420 0.247 20 30 ECEDLO C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001057806762 773006080 /nfs/dbraw/zinc/00/60/80/773006080.db2.gz QEVOVNISEMMNEX-CQSZACIVSA-N 1 2 336.436 0.882 20 30 ECEDLO C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001057806762 773006083 /nfs/dbraw/zinc/00/60/83/773006083.db2.gz QEVOVNISEMMNEX-CQSZACIVSA-N 1 2 336.436 0.882 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)CCc1c[nH]c[nH+]1 ZINC001057901110 773157553 /nfs/dbraw/zinc/15/75/53/773157553.db2.gz GXRLCEABYQDWRG-UHFFFAOYSA-N 1 2 336.436 0.882 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)CCc1c[nH+]c[nH]1 ZINC001057901110 773157557 /nfs/dbraw/zinc/15/75/57/773157557.db2.gz GXRLCEABYQDWRG-UHFFFAOYSA-N 1 2 336.436 0.882 20 30 ECEDLO C=CCCCC(=O)NCCN(CCO)C(=O)Cc1c[nH+]ccc1OC ZINC001057972225 773314379 /nfs/dbraw/zinc/31/43/79/773314379.db2.gz TVNBAEYGQLRESM-UHFFFAOYSA-N 1 2 349.431 0.926 20 30 ECEDLO Cc1cc(C#N)nc(N2CCC(N(C)C(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001058058364 773449030 /nfs/dbraw/zinc/44/90/30/773449030.db2.gz GHTOPERWOZDZSN-UHFFFAOYSA-N 1 2 339.403 0.981 20 30 ECEDLO CC#CCCCC(=O)NCCN(CCO)C(=O)CCn1cc[nH+]c1 ZINC001058200567 773758366 /nfs/dbraw/zinc/75/83/66/773758366.db2.gz LBXPULUEULOMNB-UHFFFAOYSA-N 1 2 334.420 0.404 20 30 ECEDLO Cc1cc(C#N)nc(N2CCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001058246753 773835929 /nfs/dbraw/zinc/83/59/29/773835929.db2.gz ANKBCGSRLGRXQU-LBPRGKRZSA-N 1 2 325.376 0.708 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040624948 783127892 /nfs/dbraw/zinc/12/78/92/783127892.db2.gz JZJILGGTACDEBE-GUYCJALGSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001040628855 783133055 /nfs/dbraw/zinc/13/30/55/783133055.db2.gz CKNIKAWINZMWER-KSSFIOAISA-N 1 2 348.447 0.943 20 30 ECEDLO N#Cc1cncc(N2CC[C@H](NC(=O)[C@H]3CCn4cc[nH+]c4C3)C2)n1 ZINC001058480903 774270840 /nfs/dbraw/zinc/27/08/40/774270840.db2.gz DSYDOLDFLFIOEZ-STQMWFEESA-N 1 2 337.387 0.502 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(C1)CC[NH+]([C@@H](C)c1nnnn1C)CC2 ZINC001040643266 783166143 /nfs/dbraw/zinc/16/61/43/783166143.db2.gz HCGZVMHKDUNJIA-STQMWFEESA-N 1 2 331.424 0.745 20 30 ECEDLO CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001039830721 783168580 /nfs/dbraw/zinc/16/85/80/783168580.db2.gz KWUOUHPSKHSOFU-KSSFIOAISA-N 1 2 346.431 0.327 20 30 ECEDLO CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001039830721 783168583 /nfs/dbraw/zinc/16/85/83/783168583.db2.gz KWUOUHPSKHSOFU-KSSFIOAISA-N 1 2 346.431 0.327 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001044979482 774793221 /nfs/dbraw/zinc/79/32/21/774793221.db2.gz FYUKQJPEUTYTKK-OLZOCXBDSA-N 1 2 334.420 0.110 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001044011262 775508487 /nfs/dbraw/zinc/50/84/87/775508487.db2.gz MQCXKKLEPIRTKC-CYBMUJFWSA-N 1 2 334.420 0.254 20 30 ECEDLO C[C@H](c1nnnn1C)[NH+]1CCC(C)(NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001045401364 775542821 /nfs/dbraw/zinc/54/28/21/775542821.db2.gz LHNKISTXPZUVPF-LLVKDONJSA-N 1 2 342.407 0.755 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2c(C)nn(C)c2OC)[C@@H](n2ccnn2)C1 ZINC001070044054 790433861 /nfs/dbraw/zinc/43/38/61/790433861.db2.gz YJLSJSAQVGKVET-OLZOCXBDSA-N 1 2 345.407 0.170 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2c(C)nn(C)c2OC)[C@@H](n2ccnn2)C1 ZINC001070044054 790433869 /nfs/dbraw/zinc/43/38/69/790433869.db2.gz YJLSJSAQVGKVET-OLZOCXBDSA-N 1 2 345.407 0.170 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001044409504 776284051 /nfs/dbraw/zinc/28/40/51/776284051.db2.gz HRWBQIHNGRPCFN-ZDUSSCGKSA-N 1 2 348.447 0.880 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001044409504 776284061 /nfs/dbraw/zinc/28/40/61/776284061.db2.gz HRWBQIHNGRPCFN-ZDUSSCGKSA-N 1 2 348.447 0.880 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3cccnn32)[C@@H](n2ccnn2)C1 ZINC001070047638 790444924 /nfs/dbraw/zinc/44/49/24/790444924.db2.gz BQBQOPBXKBABET-WBVHZDCISA-N 1 2 349.398 0.604 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc3cccnn32)[C@@H](n2ccnn2)C1 ZINC001070047638 790444936 /nfs/dbraw/zinc/44/49/36/790444936.db2.gz BQBQOPBXKBABET-WBVHZDCISA-N 1 2 349.398 0.604 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CC(O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001044667519 776608902 /nfs/dbraw/zinc/60/89/02/776608902.db2.gz XWKUKNULDDXOJL-KRWDZBQOSA-N 1 2 348.447 0.645 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001044714083 776684490 /nfs/dbraw/zinc/68/44/90/776684490.db2.gz CGTLUMBLNPVQFZ-UHFFFAOYSA-N 1 2 348.447 0.645 20 30 ECEDLO C=CCCCC(=O)N1CC(O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001044715495 776688691 /nfs/dbraw/zinc/68/86/91/776688691.db2.gz ZNHSGDIUYMBCPH-UHFFFAOYSA-N 1 2 334.420 0.399 20 30 ECEDLO C#CCOCCC(=O)N(CC)C1CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001079772232 776839269 /nfs/dbraw/zinc/83/92/69/776839269.db2.gz MNOSYLFBWPJTJL-UHFFFAOYSA-N 1 2 346.431 0.452 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC001079803092 776900898 /nfs/dbraw/zinc/90/08/98/776900898.db2.gz GTPKUQUUKBHNJT-ADEWGFFLSA-N 1 2 327.812 0.713 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC001079803092 776900905 /nfs/dbraw/zinc/90/09/05/776900905.db2.gz GTPKUQUUKBHNJT-ADEWGFFLSA-N 1 2 327.812 0.713 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c3ccccc3nn2C)[C@@H](n2ccnn2)C1 ZINC001070069633 790501509 /nfs/dbraw/zinc/50/15/09/790501509.db2.gz PWSSOYYSCXIKKW-CVEARBPZSA-N 1 2 349.398 0.453 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c3ccccc3nn2C)[C@@H](n2ccnn2)C1 ZINC001070069633 790501518 /nfs/dbraw/zinc/50/15/18/790501518.db2.gz PWSSOYYSCXIKKW-CVEARBPZSA-N 1 2 349.398 0.453 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2oc(CC)nc2C)[C@@H](n2ccnn2)C1 ZINC001070070431 790503297 /nfs/dbraw/zinc/50/32/97/790503297.db2.gz AYQZPMNEMJKEQZ-KGLIPLIRSA-N 1 2 342.403 0.816 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2oc(CC)nc2C)[C@@H](n2ccnn2)C1 ZINC001070070431 790503300 /nfs/dbraw/zinc/50/33/00/790503300.db2.gz AYQZPMNEMJKEQZ-KGLIPLIRSA-N 1 2 342.403 0.816 20 30 ECEDLO C=CCCC(=O)NC[C@@H]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)O1 ZINC001068535862 790504164 /nfs/dbraw/zinc/50/41/64/790504164.db2.gz PLZJJTMGYLZDGN-AWEZNQCLSA-N 1 2 332.404 0.726 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2nn(C)c3ccccc32)[C@@H](n2ccnn2)C1 ZINC001070077336 790526639 /nfs/dbraw/zinc/52/66/39/790526639.db2.gz AOLLHSDOXJRTJF-ZBFHGGJFSA-N 1 2 349.398 0.453 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2nn(C)c3ccccc32)[C@@H](n2ccnn2)C1 ZINC001070077336 790526641 /nfs/dbraw/zinc/52/66/41/790526641.db2.gz AOLLHSDOXJRTJF-ZBFHGGJFSA-N 1 2 349.398 0.453 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001080075610 777341659 /nfs/dbraw/zinc/34/16/59/777341659.db2.gz GNMBJUKXVKXHQD-KGYLQXTDSA-N 1 2 328.844 0.966 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001080075610 777341667 /nfs/dbraw/zinc/34/16/67/777341667.db2.gz GNMBJUKXVKXHQD-KGYLQXTDSA-N 1 2 328.844 0.966 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001043225804 777999960 /nfs/dbraw/zinc/99/99/60/777999960.db2.gz FJOKYSCCZFLSTJ-ZDUSSCGKSA-N 1 2 348.447 0.880 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001043225804 777999969 /nfs/dbraw/zinc/99/99/69/777999969.db2.gz FJOKYSCCZFLSTJ-ZDUSSCGKSA-N 1 2 348.447 0.880 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3snnc3C)C[C@H]2C)nn1 ZINC001080577378 778081840 /nfs/dbraw/zinc/08/18/40/778081840.db2.gz ATHLHTRGZDDTHX-ZYHUDNBSSA-N 1 2 347.448 0.874 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3snnc3C)C[C@H]2C)nn1 ZINC001080577378 778081853 /nfs/dbraw/zinc/08/18/53/778081853.db2.gz ATHLHTRGZDDTHX-ZYHUDNBSSA-N 1 2 347.448 0.874 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](C[C@H](O)Cn3cccn3)C2)cc1 ZINC001043506190 778432241 /nfs/dbraw/zinc/43/22/41/778432241.db2.gz RFUDRXJUSIFTJE-SFHVURJKSA-N 1 2 338.411 0.682 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)/C=C(/C)C2CC2)C1 ZINC001043650230 778667287 /nfs/dbraw/zinc/66/72/87/778667287.db2.gz SCWJSKZPHYUAQW-DNXIFWLFSA-N 1 2 345.443 0.130 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)/C=C(/C)C2CC2)C1 ZINC001043650230 778667292 /nfs/dbraw/zinc/66/72/92/778667292.db2.gz SCWJSKZPHYUAQW-DNXIFWLFSA-N 1 2 345.443 0.130 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C2(C)CCCC2)C1 ZINC001043652019 778670378 /nfs/dbraw/zinc/67/03/78/778670378.db2.gz QMPNXZLEKFTRDA-HNNXBMFYSA-N 1 2 347.459 0.354 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C2(C)CCCC2)C1 ZINC001043652019 778670381 /nfs/dbraw/zinc/67/03/81/778670381.db2.gz QMPNXZLEKFTRDA-HNNXBMFYSA-N 1 2 347.459 0.354 20 30 ECEDLO C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001043672026 778697145 /nfs/dbraw/zinc/69/71/45/778697145.db2.gz 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C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001071032115 784462273 /nfs/dbraw/zinc/46/22/73/784462273.db2.gz MWVLWTYWRMYWLD-OAHLLOKOSA-N 1 2 332.404 0.420 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](NC(=O)CSCC#N)C1 ZINC001071057195 784493501 /nfs/dbraw/zinc/49/35/01/784493501.db2.gz HAZHZUKLPBUXTM-GFCCVEGCSA-N 1 2 335.433 0.625 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001070667364 784524155 /nfs/dbraw/zinc/52/41/55/784524155.db2.gz DEENRRGIVIJEBF-DYVFJYSZSA-N 1 2 334.420 0.777 20 30 ECEDLO CC#CCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001070729064 784611741 /nfs/dbraw/zinc/61/17/41/784611741.db2.gz XCBZLANGXGOMSY-MELADBBJSA-N 1 2 348.426 0.623 20 30 ECEDLO CC#CCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001070729064 784611744 /nfs/dbraw/zinc/61/17/44/784611744.db2.gz XCBZLANGXGOMSY-MELADBBJSA-N 1 2 348.426 0.623 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001070731914 784622945 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C=C(Cl)C[N@H+]1C[C@H](NC(=O)CN2CCN(C)C(=O)C2)CC[C@H]1C ZINC001071623594 785409005 /nfs/dbraw/zinc/40/90/05/785409005.db2.gz ZTBGQMSZPLTNNT-ZIAGYGMSSA-N 1 2 342.871 0.482 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CN2CCN(C)C(=O)C2)CC[C@H]1C ZINC001071623594 785409014 /nfs/dbraw/zinc/40/90/14/785409014.db2.gz ZTBGQMSZPLTNNT-ZIAGYGMSSA-N 1 2 342.871 0.482 20 30 ECEDLO C[C@@H]1CC[C@@H](NC(=O)c2nnn(C)n2)C[N@@H+]1CC#Cc1ccccc1 ZINC001071746075 785628910 /nfs/dbraw/zinc/62/89/10/785628910.db2.gz WLPSUBODUBWLTF-GDBMZVCRSA-N 1 2 338.415 0.845 20 30 ECEDLO C[C@@H]1CC[C@@H](NC(=O)c2nnn(C)n2)C[N@H+]1CC#Cc1ccccc1 ZINC001071746075 785628913 /nfs/dbraw/zinc/62/89/13/785628913.db2.gz WLPSUBODUBWLTF-GDBMZVCRSA-N 1 2 338.415 0.845 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC001072100974 785670698 /nfs/dbraw/zinc/67/06/98/785670698.db2.gz LNESZXBCHFMWNQ-WFASDCNBSA-N 1 2 332.404 0.264 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3cccc(C)c3=O)C[C@@H]21 ZINC001074242481 786491797 /nfs/dbraw/zinc/49/17/97/786491797.db2.gz YLBCZJOPHZHEPX-IRXDYDNUSA-N 1 2 343.427 0.482 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3cccc(C)c3=O)C[C@@H]21 ZINC001074242481 786491802 /nfs/dbraw/zinc/49/18/02/786491802.db2.gz YLBCZJOPHZHEPX-IRXDYDNUSA-N 1 2 343.427 0.482 20 30 ECEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3nnn(C(C)(C)C)n3)C[C@H]21 ZINC001074248232 786507670 /nfs/dbraw/zinc/50/76/70/786507670.db2.gz CMOFALLNDZIUMR-KGLIPLIRSA-N 1 2 348.451 0.920 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3nnn(C(C)(C)C)n3)C[C@H]21 ZINC001074248232 786507677 /nfs/dbraw/zinc/50/76/77/786507677.db2.gz CMOFALLNDZIUMR-KGLIPLIRSA-N 1 2 348.451 0.920 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCc3ccnn3C)C[C@@H]21 ZINC001074260517 786536687 /nfs/dbraw/zinc/53/66/87/786536687.db2.gz XHDYBVFCKZBSGG-IRXDYDNUSA-N 1 2 330.432 0.678 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCc3ccnn3C)C[C@@H]21 ZINC001074260517 786536690 /nfs/dbraw/zinc/53/66/90/786536690.db2.gz XHDYBVFCKZBSGG-IRXDYDNUSA-N 1 2 330.432 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ZINC001074338817 786704928 /nfs/dbraw/zinc/70/49/28/786704928.db2.gz NYMJBCJEVQGLSN-HZPDHXFCSA-N 1 2 345.447 0.799 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)C[C@H]21 ZINC001074364302 786763391 /nfs/dbraw/zinc/76/33/91/786763391.db2.gz VNBBAFPUNJNHKZ-CVEARBPZSA-N 1 2 346.431 0.755 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)C[C@H]21 ZINC001074364302 786763395 /nfs/dbraw/zinc/76/33/95/786763395.db2.gz VNBBAFPUNJNHKZ-CVEARBPZSA-N 1 2 346.431 0.755 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(CCC)nn3)C[C@@H]21 ZINC001074372073 786784550 /nfs/dbraw/zinc/78/45/50/786784550.db2.gz QWOVPAZSSGWRAE-JKSUJKDBSA-N 1 2 331.420 0.627 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(CCC)nn3)C[C@@H]21 ZINC001074372073 786784557 /nfs/dbraw/zinc/78/45/57/786784557.db2.gz QWOVPAZSSGWRAE-JKSUJKDBSA-N 1 2 331.420 0.627 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(OC)nn3)C[C@@H]21 ZINC001074378063 786799462 /nfs/dbraw/zinc/79/94/62/786799462.db2.gz 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/nfs/dbraw/zinc/09/36/87/792093687.db2.gz FJKDPKICNOHJGX-UHFFFAOYSA-N 1 2 336.436 0.862 20 30 ECEDLO N#Cc1cncc(N2CCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC001066759393 792116296 /nfs/dbraw/zinc/11/62/96/792116296.db2.gz RTJDIBPLNIQFKA-LBPRGKRZSA-N 1 2 325.376 0.789 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1CN(C)c1[nH+]cnc2c1cnn2C ZINC001067742943 792211868 /nfs/dbraw/zinc/21/18/68/792211868.db2.gz RTVQRBBTPZNNDT-VXGBXAGGSA-N 1 2 327.392 0.950 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1)c1ccc(C#N)nn1 ZINC001067765412 792249590 /nfs/dbraw/zinc/24/95/90/792249590.db2.gz LSAFWFNRYPGHSS-AWEZNQCLSA-N 1 2 325.376 0.672 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@](CO)(Nc2[nH+]cnc3c2cnn3C)C1 ZINC001066892850 792299574 /nfs/dbraw/zinc/29/95/74/792299574.db2.gz NRUZFMWZBZVUGO-BZNIZROVSA-N 1 2 343.391 0.288 20 30 ECEDLO C[C@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067966176 792518526 /nfs/dbraw/zinc/51/85/26/792518526.db2.gz WMJMZSNLOLSXBW-JSGCOSHPSA-N 1 2 325.376 0.576 20 30 ECEDLO Cc1cc(C#N)nc(N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)n1 ZINC001067138773 792740690 /nfs/dbraw/zinc/74/06/90/792740690.db2.gz MBXVBRMLMYMXBN-GXFFZTMASA-N 1 2 325.376 0.881 20 30 ECEDLO C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1Nc1ccnc(C#N)n1 ZINC001067168487 792771337 /nfs/dbraw/zinc/77/13/37/792771337.db2.gz LDPAMODMJFRXGR-STQMWFEESA-N 1 2 347.382 0.990 20 30 ECEDLO C[C@H]1C[C@@H](CNc2ccnc(C#N)n2)CN1C(=O)Cn1cc[nH+]c1 ZINC001068334864 793069860 /nfs/dbraw/zinc/06/98/60/793069860.db2.gz CWIURTHUNCWNGV-STQMWFEESA-N 1 2 325.376 0.316 20 30 ECEDLO C[C@@H]1C[C@@H](CNc2cncc(C#N)n2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001068346079 793093382 /nfs/dbraw/zinc/09/33/82/793093382.db2.gz DLRAXQIKQNFPSH-NEPJUHHUSA-N 1 2 325.376 0.963 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](C)C2)n1 ZINC001067440536 793163156 /nfs/dbraw/zinc/16/31/56/793163156.db2.gz MFELDUYIQNRZRE-XHDPSFHLSA-N 1 2 339.403 0.954 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCOC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001068433105 793307218 /nfs/dbraw/zinc/30/72/18/793307218.db2.gz GTNXEDPNTKIKBO-CABCVRRESA-N 1 2 346.431 0.781 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)CCO2 ZINC001068441926 793321048 /nfs/dbraw/zinc/32/10/48/793321048.db2.gz JMUMWUJVLXXHOS-CQSZACIVSA-N 1 2 346.431 0.994 20 30 ECEDLO C#CC[NH+]1CCN(CCN(C)C(=O)C[C@@H]2CCOC[C@@H]2OC)CC1 ZINC001267572895 837810805 /nfs/dbraw/zinc/81/08/05/837810805.db2.gz ANLUBIAXARKHKD-IRXDYDNUSA-N 1 2 337.464 0.137 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CCN(C)C(=O)CC(C)(C)C)CC1 ZINC001267574121 837818742 /nfs/dbraw/zinc/81/87/42/837818742.db2.gz WBSMDTHNWOFWLZ-UHFFFAOYSA-N 1 2 338.496 0.801 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N(C)CC[NH+]1CCN(Cc2nnn(C)n2)CC1 ZINC001267574799 837823908 /nfs/dbraw/zinc/82/39/08/837823908.db2.gz SDUGAEIYMTXZNN-QGZVFWFLSA-N 1 2 349.483 0.388 20 30 ECEDLO C=CC(C)(C)C(=O)N(C)CCN1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC001267574864 837824720 /nfs/dbraw/zinc/82/47/20/837824720.db2.gz VDOXMPVDBHUUPN-OAHLLOKOSA-N 1 2 336.480 0.553 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC001266248591 835554270 /nfs/dbraw/zinc/55/42/70/835554270.db2.gz OWEWESJPGXADLD-LBPRGKRZSA-N 1 2 340.387 0.397 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC001266248591 835554275 /nfs/dbraw/zinc/55/42/75/835554275.db2.gz OWEWESJPGXADLD-LBPRGKRZSA-N 1 2 340.387 0.397 20 30 ECEDLO C#CCCCC(=O)NCC[N@@H+](C)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC001266269688 835588415 /nfs/dbraw/zinc/58/84/15/835588415.db2.gz BZBAGXFECXQXTE-HNNXBMFYSA-N 1 2 331.420 0.377 20 30 ECEDLO C#CCCCC(=O)NCC[N@H+](C)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC001266269688 835588419 /nfs/dbraw/zinc/58/84/19/835588419.db2.gz BZBAGXFECXQXTE-HNNXBMFYSA-N 1 2 331.420 0.377 20 30 ECEDLO C#CCCCC(=O)NCC[N@@H+](C)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC001266269697 835589057 /nfs/dbraw/zinc/58/90/57/835589057.db2.gz BZBAGXFECXQXTE-OAHLLOKOSA-N 1 2 331.420 0.377 20 30 ECEDLO C#CCCCC(=O)NCC[N@H+](C)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC001266269697 835589062 /nfs/dbraw/zinc/58/90/62/835589062.db2.gz BZBAGXFECXQXTE-OAHLLOKOSA-N 1 2 331.420 0.377 20 30 ECEDLO C[N@H+](CCNC(=O)c1cc2ccccc2c(=O)[nH]1)CC(=O)NCC#N ZINC001266282462 835611027 /nfs/dbraw/zinc/61/10/27/835611027.db2.gz CMQPHQNHLPEWTM-UHFFFAOYSA-N 1 2 341.371 0.242 20 30 ECEDLO C[N@@H+](CCNC(=O)c1cc2ccccc2c(=O)[nH]1)CC(=O)NCC#N ZINC001266282462 835611030 /nfs/dbraw/zinc/61/10/30/835611030.db2.gz CMQPHQNHLPEWTM-UHFFFAOYSA-N 1 2 341.371 0.242 20 30 ECEDLO CC[C@@H]1CCO[C@@H]1C(=O)NCCN1CC[NH+](CC#CCOC)CC1 ZINC001266286090 835622463 /nfs/dbraw/zinc/62/24/63/835622463.db2.gz YKXJBKJPJNPMNA-SJORKVTESA-N 1 2 337.464 0.185 20 30 ECEDLO CC[C@@H]1CCO[C@@H]1C(=O)NCC[NH+]1CCN(CC#CCOC)CC1 ZINC001266286090 835622467 /nfs/dbraw/zinc/62/24/67/835622467.db2.gz YKXJBKJPJNPMNA-SJORKVTESA-N 1 2 337.464 0.185 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCN(c2ccccc2)C1 ZINC001266286335 835623296 /nfs/dbraw/zinc/62/32/96/835623296.db2.gz IPSXGULKUCWLOG-MRXNPFEDSA-N 1 2 344.459 0.863 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCN(c2ccccc2)C1 ZINC001266286335 835623299 /nfs/dbraw/zinc/62/32/99/835623299.db2.gz IPSXGULKUCWLOG-MRXNPFEDSA-N 1 2 344.459 0.863 20 30 ECEDLO COCC#CCN1CC[NH+](CCNC(=O)[C@H]2CCC[C@@H]2OC)CC1 ZINC001266288061 835630813 /nfs/dbraw/zinc/63/08/13/835630813.db2.gz PWROLRQFTVZTHZ-IRXDYDNUSA-N 1 2 337.464 0.185 20 30 ECEDLO COCC#CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[C@@H]2OC)CC1 ZINC001266288061 835630814 /nfs/dbraw/zinc/63/08/14/835630814.db2.gz PWROLRQFTVZTHZ-IRXDYDNUSA-N 1 2 337.464 0.185 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NCC[N@H+](C)CC(=O)N1CCO[C@H](C)C1 ZINC001266320190 835691465 /nfs/dbraw/zinc/69/14/65/835691465.db2.gz BMCIJXGSZDYIGU-RHSMWYFYSA-N 1 2 325.453 0.884 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NCC[N@@H+](C)CC(=O)N1CCO[C@H](C)C1 ZINC001266320190 835691474 /nfs/dbraw/zinc/69/14/74/835691474.db2.gz BMCIJXGSZDYIGU-RHSMWYFYSA-N 1 2 325.453 0.884 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc3ncccc3o2)C1 ZINC001266330459 835712449 /nfs/dbraw/zinc/71/24/49/835712449.db2.gz DVJYIDIRRKJSSG-LBPRGKRZSA-N 1 2 328.372 0.934 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc3ncccc3o2)C1 ZINC001266330459 835712452 /nfs/dbraw/zinc/71/24/52/835712452.db2.gz DVJYIDIRRKJSSG-LBPRGKRZSA-N 1 2 328.372 0.934 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N[C@@H](C)CC)C2)nn1 ZINC001266346557 835737331 /nfs/dbraw/zinc/73/73/31/835737331.db2.gz CXQKTNHUYZIFER-UONOGXRCSA-N 1 2 348.451 0.573 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N[C@@H](C)CC)C2)nn1 ZINC001266346557 835737336 /nfs/dbraw/zinc/73/73/36/835737336.db2.gz CXQKTNHUYZIFER-UONOGXRCSA-N 1 2 348.451 0.573 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2coc(C3CCC3)n2)C1 ZINC001266350205 835746615 /nfs/dbraw/zinc/74/66/15/835746615.db2.gz RHVWKLWVDDGNOQ-OCCSQVGLSA-N 1 2 344.415 0.884 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2coc(C3CCC3)n2)C1 ZINC001266350205 835746623 /nfs/dbraw/zinc/74/66/23/835746623.db2.gz RHVWKLWVDDGNOQ-OCCSQVGLSA-N 1 2 344.415 0.884 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn3ccc(C)nc23)C1 ZINC001266353527 835755795 /nfs/dbraw/zinc/75/57/95/835755795.db2.gz WZJLHZPPXHGQLA-ZDUSSCGKSA-N 1 2 342.403 0.144 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn3ccc(C)nc23)C1 ZINC001266353527 835755803 /nfs/dbraw/zinc/75/58/03/835755803.db2.gz WZJLHZPPXHGQLA-ZDUSSCGKSA-N 1 2 342.403 0.144 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001266361406 835771135 /nfs/dbraw/zinc/77/11/35/835771135.db2.gz MOFWPYKEQMOJJG-SWLSCSKDSA-N 1 2 345.830 0.920 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001266361406 835771143 /nfs/dbraw/zinc/77/11/43/835771143.db2.gz MOFWPYKEQMOJJG-SWLSCSKDSA-N 1 2 345.830 0.920 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H]1CC[N@@H+](CC(=O)NCC(F)(F)F)C1 ZINC001266513714 835924265 /nfs/dbraw/zinc/92/42/65/835924265.db2.gz FUBSWCOJECJBAE-LBPRGKRZSA-N 1 2 349.353 0.143 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H]1CC[N@H+](CC(=O)NCC(F)(F)F)C1 ZINC001266513714 835924270 /nfs/dbraw/zinc/92/42/70/835924270.db2.gz FUBSWCOJECJBAE-LBPRGKRZSA-N 1 2 349.353 0.143 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2nnc(C)n2CCC)C1 ZINC001266514328 835925877 /nfs/dbraw/zinc/92/58/77/835925877.db2.gz PYGMGLGBAQBBAU-GOEBONIOSA-N 1 2 347.463 0.973 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2nnc(C)n2CCC)C1 ZINC001266514328 835925881 /nfs/dbraw/zinc/92/58/81/835925881.db2.gz PYGMGLGBAQBBAU-GOEBONIOSA-N 1 2 347.463 0.973 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@H](C)[NH2+]Cc1csc(NC(C)=O)n1 ZINC001266938481 836496221 /nfs/dbraw/zinc/49/62/21/836496221.db2.gz YFOUYEZLOATKNN-WDEREUQCSA-N 1 2 338.433 0.734 20 30 ECEDLO C=CCC[NH2+]C[C@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001267061620 836700662 /nfs/dbraw/zinc/70/06/62/836700662.db2.gz QIHPHKOCZGHKNY-GFCCVEGCSA-N 1 2 330.392 0.085 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1ccnc(-n2cccc2)c1 ZINC001267204186 836982190 /nfs/dbraw/zinc/98/21/90/836982190.db2.gz SCTZPHXDMBDSIG-UHFFFAOYSA-N 1 2 339.399 0.283 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccnc(-n2cccc2)c1 ZINC001267204186 836982194 /nfs/dbraw/zinc/98/21/94/836982194.db2.gz SCTZPHXDMBDSIG-UHFFFAOYSA-N 1 2 339.399 0.283 20 30 ECEDLO Cc1ccc2cc(C(=O)NCC[N@@H+](C)CC(=O)NCC#N)[nH]c2c1 ZINC001267209180 836994907 /nfs/dbraw/zinc/99/49/07/836994907.db2.gz MMKAUZOBPJOTJY-UHFFFAOYSA-N 1 2 327.388 0.778 20 30 ECEDLO Cc1ccc2cc(C(=O)NCC[N@H+](C)CC(=O)NCC#N)[nH]c2c1 ZINC001267209180 836994919 /nfs/dbraw/zinc/99/49/19/836994919.db2.gz MMKAUZOBPJOTJY-UHFFFAOYSA-N 1 2 327.388 0.778 20 30 ECEDLO C#Cc1ccc(C(=O)NCC[N@@H+](C)CC(=O)NC2CCOCC2)cn1 ZINC001267226770 837025254 /nfs/dbraw/zinc/02/52/54/837025254.db2.gz OLHWTWKYWMZQEI-UHFFFAOYSA-N 1 2 344.415 0.020 20 30 ECEDLO C#Cc1ccc(C(=O)NCC[N@H+](C)CC(=O)NC2CCOCC2)cn1 ZINC001267226770 837025268 /nfs/dbraw/zinc/02/52/68/837025268.db2.gz OLHWTWKYWMZQEI-UHFFFAOYSA-N 1 2 344.415 0.020 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cn2c(cccc2C)n1 ZINC001267229273 837029956 /nfs/dbraw/zinc/02/99/56/837029956.db2.gz KZBQYZNTFSPOKK-UHFFFAOYSA-N 1 2 329.404 0.607 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cn2c(cccc2C)n1 ZINC001267229273 837029962 /nfs/dbraw/zinc/02/99/62/837029962.db2.gz KZBQYZNTFSPOKK-UHFFFAOYSA-N 1 2 329.404 0.607 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@]1(C)OCCc2ccccc21 ZINC001267233024 837037089 /nfs/dbraw/zinc/03/70/89/837037089.db2.gz IQZZZDSACXUMMD-LJQANCHMSA-N 1 2 345.443 0.825 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@]1(C)OCCc2ccccc21 ZINC001267233024 837037101 /nfs/dbraw/zinc/03/71/01/837037101.db2.gz IQZZZDSACXUMMD-LJQANCHMSA-N 1 2 345.443 0.825 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001267233914 837039070 /nfs/dbraw/zinc/03/90/70/837039070.db2.gz XHUWYMBAPYJETG-UHFFFAOYSA-N 1 2 346.391 0.813 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001267233914 837039083 /nfs/dbraw/zinc/03/90/83/837039083.db2.gz XHUWYMBAPYJETG-UHFFFAOYSA-N 1 2 346.391 0.813 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CC[N@H+](CC(=O)Nc2cnccn2)C1 ZINC001267291414 837143858 /nfs/dbraw/zinc/14/38/58/837143858.db2.gz FYTDMDQUEPOXJJ-SUMWQHHRSA-N 1 2 347.419 0.180 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CC[N@@H+](CC(=O)Nc2cnccn2)C1 ZINC001267291414 837143865 /nfs/dbraw/zinc/14/38/65/837143865.db2.gz FYTDMDQUEPOXJJ-SUMWQHHRSA-N 1 2 347.419 0.180 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)/C(C)=C\C)C1 ZINC001267624126 838067832 /nfs/dbraw/zinc/06/78/32/838067832.db2.gz RAAFZIBQPKJOFB-QQKWEAIHSA-N 1 2 336.436 0.934 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)/C(C)=C\C)C1 ZINC001267624126 838067846 /nfs/dbraw/zinc/06/78/46/838067846.db2.gz RAAFZIBQPKJOFB-QQKWEAIHSA-N 1 2 336.436 0.934 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2cncc3[nH]ccc32)C1 ZINC001267627443 838078163 /nfs/dbraw/zinc/07/81/63/838078163.db2.gz CCLWBUJPEMYGRE-ZDUSSCGKSA-N 1 2 339.399 0.507 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2cncc3[nH]ccc32)C1 ZINC001267627443 838078173 /nfs/dbraw/zinc/07/81/73/838078173.db2.gz CCLWBUJPEMYGRE-ZDUSSCGKSA-N 1 2 339.399 0.507 20 30 ECEDLO CCN(CCNC(=O)c1ccc(C#N)[nH]1)C(=O)CCc1c[nH+]cn1C ZINC001408732610 838166515 /nfs/dbraw/zinc/16/65/15/838166515.db2.gz IUABAUPZRLZBTC-UHFFFAOYSA-N 1 2 342.403 0.831 20 30 ECEDLO C#CCCCC(=O)NCC1C[NH+](CC2(CS(C)(=O)=O)CC2)C1 ZINC001267678661 838230243 /nfs/dbraw/zinc/23/02/43/838230243.db2.gz GBTGMONJGWNJFS-UHFFFAOYSA-N 1 2 326.462 0.663 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)c2c(F)cccc2OC)C1 ZINC001267684339 838246179 /nfs/dbraw/zinc/24/61/79/838246179.db2.gz VQZVCWWJRNLHNX-UHFFFAOYSA-N 1 2 333.363 0.245 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)c2ccc(C)nc2C(C)C)C1 ZINC001267687154 838250341 /nfs/dbraw/zinc/25/03/41/838250341.db2.gz XTKNUSJUNZVJSC-UHFFFAOYSA-N 1 2 342.443 0.924 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H](F)Cc2ccccc2)C1 ZINC001267699448 838294452 /nfs/dbraw/zinc/29/44/52/838294452.db2.gz SVJNAQDRTFCIAC-INIZCTEOSA-N 1 2 333.407 0.917 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)CC2CCC(OC)CC2)C1 ZINC001267699934 838296190 /nfs/dbraw/zinc/29/61/90/838296190.db2.gz FHAZUBQGHRYBGZ-UHFFFAOYSA-N 1 2 337.464 0.932 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2nc(C)sc2C)C1 ZINC001267725298 838393118 /nfs/dbraw/zinc/39/31/18/838393118.db2.gz MFPYDBGCVDBYKZ-ZDUSSCGKSA-N 1 2 334.445 0.242 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2nc(C)sc2C)C1 ZINC001267725298 838393124 /nfs/dbraw/zinc/39/31/24/838393124.db2.gz MFPYDBGCVDBYKZ-ZDUSSCGKSA-N 1 2 334.445 0.242 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cncc3[nH]ccc32)C1 ZINC001267726879 838407796 /nfs/dbraw/zinc/40/77/96/838407796.db2.gz WYIQSIDGDXOJMS-LBPRGKRZSA-N 1 2 327.388 0.669 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cncc3[nH]ccc32)C1 ZINC001267726879 838407799 /nfs/dbraw/zinc/40/77/99/838407799.db2.gz WYIQSIDGDXOJMS-LBPRGKRZSA-N 1 2 327.388 0.669 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CCCS(C)(=O)=O)C2)c1 ZINC001267729248 838413755 /nfs/dbraw/zinc/41/37/55/838413755.db2.gz YVCZECBGHNJCHK-HNNXBMFYSA-N 1 2 335.429 0.302 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CCCS(C)(=O)=O)C2)c1 ZINC001267729248 838413760 /nfs/dbraw/zinc/41/37/60/838413760.db2.gz YVCZECBGHNJCHK-HNNXBMFYSA-N 1 2 335.429 0.302 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(OC)ccc2OC)C1 ZINC001267734072 838427782 /nfs/dbraw/zinc/42/77/82/838427782.db2.gz SCJCPCDPAFXUGF-ZDUSSCGKSA-N 1 2 345.399 0.257 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(OC)ccc2OC)C1 ZINC001267734072 838427787 /nfs/dbraw/zinc/42/77/87/838427787.db2.gz SCJCPCDPAFXUGF-ZDUSSCGKSA-N 1 2 345.399 0.257 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(C(F)(F)F)CCCC2)C1 ZINC001267736278 838430983 /nfs/dbraw/zinc/43/09/83/838430983.db2.gz ZMRJFVCIPNAFFO-NSHDSACASA-N 1 2 346.353 0.939 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(C(F)(F)F)CCCC2)C1 ZINC001267736278 838430985 /nfs/dbraw/zinc/43/09/85/838430985.db2.gz ZMRJFVCIPNAFFO-NSHDSACASA-N 1 2 346.353 0.939 20 30 ECEDLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CSCC#N)C1 ZINC001267737645 838433749 /nfs/dbraw/zinc/43/37/49/838433749.db2.gz WRYVCVGBFYSGIH-CHWSQXEVSA-N 1 2 326.466 0.594 20 30 ECEDLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CSCC#N)C1 ZINC001267737645 838433752 /nfs/dbraw/zinc/43/37/52/838433752.db2.gz WRYVCVGBFYSGIH-CHWSQXEVSA-N 1 2 326.466 0.594 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[C@H](C)OC)C1 ZINC001267740344 838439926 /nfs/dbraw/zinc/43/99/26/838439926.db2.gz BULGFKBXHBNKOI-QWHCGFSZSA-N 1 2 340.424 0.004 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[C@H](C)OC)C1 ZINC001267740344 838439931 /nfs/dbraw/zinc/43/99/31/838439931.db2.gz BULGFKBXHBNKOI-QWHCGFSZSA-N 1 2 340.424 0.004 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cncnc2C(C)C)C1 ZINC001267754557 838477715 /nfs/dbraw/zinc/47/77/15/838477715.db2.gz PJXIHVGADRPRDS-CYBMUJFWSA-N 1 2 329.404 0.154 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cncnc2C(C)C)C1 ZINC001267754557 838477718 /nfs/dbraw/zinc/47/77/18/838477718.db2.gz PJXIHVGADRPRDS-CYBMUJFWSA-N 1 2 329.404 0.154 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](N(C)C(=O)COC)C2)c1 ZINC001267756274 838480258 /nfs/dbraw/zinc/48/02/58/838480258.db2.gz ZFDXMUJFGIKQSX-MRXNPFEDSA-N 1 2 329.400 0.786 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](N(C)C(=O)COC)C2)c1 ZINC001267756274 838480255 /nfs/dbraw/zinc/48/02/55/838480255.db2.gz ZFDXMUJFGIKQSX-MRXNPFEDSA-N 1 2 329.400 0.786 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccco2)C1 ZINC001267779646 838548864 /nfs/dbraw/zinc/54/88/64/838548864.db2.gz FSDFBQOCVMVYFG-CYBMUJFWSA-N 1 2 348.403 0.828 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccco2)C1 ZINC001267779646 838548869 /nfs/dbraw/zinc/54/88/69/838548869.db2.gz FSDFBQOCVMVYFG-CYBMUJFWSA-N 1 2 348.403 0.828 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ncccc2C)C1 ZINC001267783797 838557513 /nfs/dbraw/zinc/55/75/13/838557513.db2.gz DYASRJXOXUJAGU-OAHLLOKOSA-N 1 2 328.416 0.676 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ncccc2C)C1 ZINC001267783797 838557518 /nfs/dbraw/zinc/55/75/18/838557518.db2.gz DYASRJXOXUJAGU-OAHLLOKOSA-N 1 2 328.416 0.676 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ncc(OC)cn2)C1 ZINC001267788252 838568088 /nfs/dbraw/zinc/56/80/88/838568088.db2.gz TYVATQXBMCIBAA-CYBMUJFWSA-N 1 2 347.419 0.324 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ncc(OC)cn2)C1 ZINC001267788252 838568092 /nfs/dbraw/zinc/56/80/92/838568092.db2.gz TYVATQXBMCIBAA-CYBMUJFWSA-N 1 2 347.419 0.324 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC001267925490 838802760 /nfs/dbraw/zinc/80/27/60/838802760.db2.gz QWRWFHCOXGDSFD-ZIAGYGMSSA-N 1 2 336.436 0.605 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC001267925490 838802766 /nfs/dbraw/zinc/80/27/66/838802766.db2.gz QWRWFHCOXGDSFD-ZIAGYGMSSA-N 1 2 336.436 0.605 20 30 ECEDLO C=CCOCC[N@@H+]1CCO[C@H](CNC(=O)c2cnc(C)nc2C)C1 ZINC001268027744 839037792 /nfs/dbraw/zinc/03/77/92/839037792.db2.gz YGYFBTZRBIZBMO-OAHLLOKOSA-N 1 2 334.420 0.727 20 30 ECEDLO C=CCOCC[N@H+]1CCO[C@H](CNC(=O)c2cnc(C)nc2C)C1 ZINC001268027744 839037798 /nfs/dbraw/zinc/03/77/98/839037798.db2.gz YGYFBTZRBIZBMO-OAHLLOKOSA-N 1 2 334.420 0.727 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N(CCNC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001408907444 839297205 /nfs/dbraw/zinc/29/72/05/839297205.db2.gz XSOZMDCGQZLSOK-UHFFFAOYSA-N 1 2 340.387 0.881 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCOCC2)CC1 ZINC000981001430 839305985 /nfs/dbraw/zinc/30/59/85/839305985.db2.gz IIFCPINQIASAAX-UHFFFAOYSA-N 1 2 342.443 0.925 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCOCC2)CC1 ZINC000981001430 839305996 /nfs/dbraw/zinc/30/59/96/839305996.db2.gz IIFCPINQIASAAX-UHFFFAOYSA-N 1 2 342.443 0.925 20 30 ECEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000425284046 210031033 /nfs/dbraw/zinc/03/10/33/210031033.db2.gz CZXFBMDNGDZIAY-UKRRQHHQSA-N 1 2 333.388 0.135 20 30 ECEDLO COC(=O)CNC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264076021 246042625 /nfs/dbraw/zinc/04/26/25/246042625.db2.gz CAAKYKMNIQJIBE-UHFFFAOYSA-N 1 2 331.372 0.691 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000264921919 247048572 /nfs/dbraw/zinc/04/85/72/247048572.db2.gz PXQZFIBGNKIYMW-UHFFFAOYSA-N 1 2 334.332 0.085 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000264921919 247048576 /nfs/dbraw/zinc/04/85/76/247048576.db2.gz PXQZFIBGNKIYMW-UHFFFAOYSA-N 1 2 334.332 0.085 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC000115604666 254493719 /nfs/dbraw/zinc/49/37/19/254493719.db2.gz KMONFOZQOPLEOA-NEPJUHHUSA-N 1 2 343.391 0.713 20 30 ECEDLO C[C@H](CNC(=O)N1CCO[C@]2(CCO[C@@H]2C)C1)[NH+]1CCOCC1 ZINC000329933504 254621983 /nfs/dbraw/zinc/62/19/83/254621983.db2.gz JGXOSOQSXLNPQY-IIAWOOMASA-N 1 2 327.425 0.501 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2cccnc2C)CC1 ZINC000491299219 254907953 /nfs/dbraw/zinc/90/79/53/254907953.db2.gz YWRBTNDZDBFHQW-BQYQJAHWSA-N 1 2 340.427 0.687 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2cccnc2C)CC1 ZINC000491299219 254907955 /nfs/dbraw/zinc/90/79/55/254907955.db2.gz YWRBTNDZDBFHQW-BQYQJAHWSA-N 1 2 340.427 0.687 20 30 ECEDLO CS(=O)(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000116887696 221006016 /nfs/dbraw/zinc/00/60/16/221006016.db2.gz YDALYWVLGFBCOG-UKRRQHHQSA-N 1 2 348.428 0.287 20 30 ECEDLO CS(=O)(=O)N[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000116887696 221006018 /nfs/dbraw/zinc/00/60/18/221006018.db2.gz YDALYWVLGFBCOG-UKRRQHHQSA-N 1 2 348.428 0.287 20 30 ECEDLO COC(=O)c1cccc(OC[C@@H](O)C[N@H+](C)CCC#N)c1[N+](=O)[O-] ZINC000414184178 292019749 /nfs/dbraw/zinc/01/97/49/292019749.db2.gz NQRMHFKQENOTLX-NSHDSACASA-N 1 2 337.332 0.967 20 30 ECEDLO COC(=O)c1cccc(OC[C@@H](O)C[N@@H+](C)CCC#N)c1[N+](=O)[O-] ZINC000414184178 292019750 /nfs/dbraw/zinc/01/97/50/292019750.db2.gz NQRMHFKQENOTLX-NSHDSACASA-N 1 2 337.332 0.967 20 30 ECEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(CS(N)(=O)=O)CC2)cc1 ZINC000129772484 296663183 /nfs/dbraw/zinc/66/31/83/296663183.db2.gz SGXBXFVKQJJICX-UHFFFAOYSA-N 1 2 336.417 0.497 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)C[C@H]1[NH+]1CCOCC1 ZINC000246479676 296733525 /nfs/dbraw/zinc/73/35/25/296733525.db2.gz LGBSSAUEUUDGQB-XJKSGUPXSA-N 1 2 335.429 0.899 20 30 ECEDLO N#Cc1ccnc(N2CC[NH+](CC3CCS(=O)(=O)CC3)CC2)c1 ZINC000271215431 263307613 /nfs/dbraw/zinc/30/76/13/263307613.db2.gz INQZMKFONHXDMR-UHFFFAOYSA-N 1 2 334.445 0.900 20 30 ECEDLO COCCNC(=O)C[NH+]1CCN(c2nc3ccccn3c2C#N)CC1 ZINC000272731819 263367428 /nfs/dbraw/zinc/36/74/28/263367428.db2.gz AMFPHIAVBHNWJW-UHFFFAOYSA-N 1 2 342.403 0.091 20 30 ECEDLO CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)NCc1cccc(C#N)c1 ZINC000283534131 264126793 /nfs/dbraw/zinc/12/67/93/264126793.db2.gz DLDBHVBBQGAOGI-UHFFFAOYSA-N 1 2 344.415 0.401 20 30 ECEDLO CC1(C)COCC[N@H+]1CCNC(=O)C(=O)NCc1cccc(C#N)c1 ZINC000283534131 264126794 /nfs/dbraw/zinc/12/67/94/264126794.db2.gz DLDBHVBBQGAOGI-UHFFFAOYSA-N 1 2 344.415 0.401 20 30 ECEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000340290428 270005912 /nfs/dbraw/zinc/00/59/12/270005912.db2.gz TUMKOZMGLMSKKT-CHWSQXEVSA-N 1 2 330.344 0.688 20 30 ECEDLO N#Cc1cc(F)ccc1CS(=O)(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000295224279 265054759 /nfs/dbraw/zinc/05/47/59/265054759.db2.gz WASNYDOMLYJYMJ-OAHLLOKOSA-N 1 2 338.408 0.117 20 30 ECEDLO CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCC(n2cnc(C#N)n2)CC1 ZINC000373416888 266031446 /nfs/dbraw/zinc/03/14/46/266031446.db2.gz JQJBZHBVYNTQTP-HNNXBMFYSA-N 1 2 346.435 0.814 20 30 ECEDLO CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCC(n2cnc(C#N)n2)CC1 ZINC000373416888 266031450 /nfs/dbraw/zinc/03/14/50/266031450.db2.gz JQJBZHBVYNTQTP-HNNXBMFYSA-N 1 2 346.435 0.814 20 30 ECEDLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)Nc3ccc(C#N)cc3)CCN2C1=O ZINC000378017539 266141587 /nfs/dbraw/zinc/14/15/87/266141587.db2.gz ILTAJZNWCFVIDI-AWEZNQCLSA-N 1 2 341.371 0.465 20 30 ECEDLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)Nc3ccc(C#N)cc3)CCN2C1=O ZINC000378017539 266141589 /nfs/dbraw/zinc/14/15/89/266141589.db2.gz ILTAJZNWCFVIDI-AWEZNQCLSA-N 1 2 341.371 0.465 20 30 ECEDLO CCN1CCOC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000367749796 266153184 /nfs/dbraw/zinc/15/31/84/266153184.db2.gz NWCQKNCOMYRANG-GOSISDBHSA-N 1 2 342.443 0.923 20 30 ECEDLO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1c[nH+]c[nH]1 ZINC000360922200 267188554 /nfs/dbraw/zinc/18/85/54/267188554.db2.gz MLOCKVWWKXEGQN-JTQLQIEISA-N 1 2 333.373 0.265 20 30 ECEDLO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1c[nH]c[nH+]1 ZINC000360922200 267188556 /nfs/dbraw/zinc/18/85/56/267188556.db2.gz MLOCKVWWKXEGQN-JTQLQIEISA-N 1 2 333.373 0.265 20 30 ECEDLO C[C@H]1NC(=O)N(CC[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1=O ZINC000331678211 267243907 /nfs/dbraw/zinc/24/39/07/267243907.db2.gz ZQYMXTDDZUZKJN-IUODEOHRSA-N 1 2 328.372 0.872 20 30 ECEDLO C[C@H]1NC(=O)N(CC[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1=O ZINC000331678211 267243910 /nfs/dbraw/zinc/24/39/10/267243910.db2.gz ZQYMXTDDZUZKJN-IUODEOHRSA-N 1 2 328.372 0.872 20 30 ECEDLO N#Cc1ccc(CS(=O)(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000320489657 268079439 /nfs/dbraw/zinc/07/94/39/268079439.db2.gz RKPAQDCKFQNUPH-INIZCTEOSA-N 1 2 335.429 0.795 20 30 ECEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@H](S(N)(=O)=O)C3)C2=O)cc1 ZINC000331696875 268127038 /nfs/dbraw/zinc/12/70/38/268127038.db2.gz UYMIFUIAMQTHEZ-GJZGRUSLSA-N 1 2 348.428 0.416 20 30 ECEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@H](S(N)(=O)=O)C3)C2=O)cc1 ZINC000331696875 268127041 /nfs/dbraw/zinc/12/70/41/268127041.db2.gz UYMIFUIAMQTHEZ-GJZGRUSLSA-N 1 2 348.428 0.416 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@]3(CNC(=O)C3)C2)nc1 ZINC000343842491 268187081 /nfs/dbraw/zinc/18/70/81/268187081.db2.gz STGQVTJTDKWLMZ-MRXNPFEDSA-N 1 2 348.428 0.329 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@]3(CNC(=O)C3)C2)nc1 ZINC000343842491 268187082 /nfs/dbraw/zinc/18/70/82/268187082.db2.gz STGQVTJTDKWLMZ-MRXNPFEDSA-N 1 2 348.428 0.329 20 30 ECEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC3(CC2)NC(=O)NC3=O)c1 ZINC000340727079 268265356 /nfs/dbraw/zinc/26/53/56/268265356.db2.gz NXRYHSGVOCMHPC-UHFFFAOYSA-N 1 2 327.344 0.171 20 30 ECEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000528456057 268295784 /nfs/dbraw/zinc/29/57/84/268295784.db2.gz LKQWVTZVNADATG-RDJZCZTQSA-N 1 2 330.384 0.978 20 30 ECEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000528456057 268295785 /nfs/dbraw/zinc/29/57/85/268295785.db2.gz LKQWVTZVNADATG-RDJZCZTQSA-N 1 2 330.384 0.978 20 30 ECEDLO N#Cc1csc(C[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)n1 ZINC000352819954 268320593 /nfs/dbraw/zinc/32/05/93/268320593.db2.gz BLNKBHWFIJTGNE-LBPRGKRZSA-N 1 2 344.462 0.593 20 30 ECEDLO N#Cc1ncn(CC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)n1 ZINC000341479191 268333399 /nfs/dbraw/zinc/33/33/99/268333399.db2.gz DZKHXJNBFXZDLZ-OAHLLOKOSA-N 1 2 340.387 0.339 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCN(C(=O)N(C)C)CC1(C)C ZINC000330698976 437593579 /nfs/dbraw/zinc/59/35/79/437593579.db2.gz MFMNWRQQDONQMP-UHFFFAOYSA-N 1 2 325.413 0.280 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCN(C(=O)N(C)C)CC1(C)C ZINC000330698976 437593585 /nfs/dbraw/zinc/59/35/85/437593585.db2.gz MFMNWRQQDONQMP-UHFFFAOYSA-N 1 2 325.413 0.280 20 30 ECEDLO CN1CC[N@H+](C)[C@H](CNC(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)C1 ZINC000330214500 277102381 /nfs/dbraw/zinc/10/23/81/277102381.db2.gz LTNBRFFBHPYITF-FMKPAKJESA-N 1 2 342.509 0.791 20 30 ECEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)C1 ZINC000330214500 277102382 /nfs/dbraw/zinc/10/23/82/277102382.db2.gz LTNBRFFBHPYITF-FMKPAKJESA-N 1 2 342.509 0.791 20 30 ECEDLO Cc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H]([NH+]3CCOCC3)[C@H]1C)CC2 ZINC000329634716 279142005 /nfs/dbraw/zinc/14/20/05/279142005.db2.gz XHKKITKFBJDWHJ-BPLDGKMQSA-N 1 2 348.451 0.610 20 30 ECEDLO O=C(C#Cc1ccc2c(c1)OCO2)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000372111782 279728496 /nfs/dbraw/zinc/72/84/96/279728496.db2.gz XZRNGRLZVMNUDD-HNNXBMFYSA-N 1 2 328.368 0.700 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337518863 280101376 /nfs/dbraw/zinc/10/13/76/280101376.db2.gz NVMGQIWESSNKKX-UKRRQHHQSA-N 1 2 329.466 0.940 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337518863 280101381 /nfs/dbraw/zinc/10/13/81/280101381.db2.gz NVMGQIWESSNKKX-UKRRQHHQSA-N 1 2 329.466 0.940 20 30 ECEDLO CC[C@@](C)(CO)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330739086 437604336 /nfs/dbraw/zinc/60/43/36/437604336.db2.gz PMKUQEXKFBHUSU-KRWDZBQOSA-N 1 2 349.435 0.765 20 30 ECEDLO CN(CCC#N)S(=O)(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000408236835 289573852 /nfs/dbraw/zinc/57/38/52/289573852.db2.gz KLMNXIASNAVLNQ-CQSZACIVSA-N 1 2 330.454 0.263 20 30 ECEDLO C#C[C@H](C)NC(=O)C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000190267477 437620974 /nfs/dbraw/zinc/62/09/74/437620974.db2.gz QFMCWMAKRBQEIZ-HNNXBMFYSA-N 1 2 342.443 0.901 20 30 ECEDLO C[S@@](=O)C1(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CCC1 ZINC000329652520 300876952 /nfs/dbraw/zinc/87/69/52/300876952.db2.gz KXWPKXWOZAKSFM-LFVRLGFBSA-N 1 2 343.493 0.998 20 30 ECEDLO C#CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000073028277 436066793 /nfs/dbraw/zinc/06/67/93/436066793.db2.gz AGYMAKILYFBFBJ-HUUCEWRRSA-N 1 2 326.462 0.900 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(C(=O)OCC)cn2)CC1 ZINC000026143208 436161989 /nfs/dbraw/zinc/16/19/89/436161989.db2.gz AYFVQQXDVNPEDL-AWEZNQCLSA-N 1 2 344.415 0.518 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000027040056 436170703 /nfs/dbraw/zinc/17/07/03/436170703.db2.gz SSCBONQABHYIGV-AWEZNQCLSA-N 1 2 346.406 0.520 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3[C@@H](C)COC[C@@H]3C)CC2)o1 ZINC000077366193 436233412 /nfs/dbraw/zinc/23/34/12/436233412.db2.gz TZLJQUDFAJYCKP-STQMWFEESA-N 1 2 347.419 0.613 20 30 ECEDLO CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029447707 436201995 /nfs/dbraw/zinc/20/19/95/436201995.db2.gz MKHLNOAXMPZZPX-CYBMUJFWSA-N 1 2 344.419 0.698 20 30 ECEDLO CCCNC(=O)NC(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029445206 436203534 /nfs/dbraw/zinc/20/35/34/436203534.db2.gz HHDJDJSXMIRKQS-UHFFFAOYSA-N 1 2 330.392 0.311 20 30 ECEDLO CC[C@H](C)NC(=O)CN1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000079031522 436286246 /nfs/dbraw/zinc/28/62/46/436286246.db2.gz PVAJBONLXPQHEH-LSDHHAIUSA-N 1 2 337.468 0.279 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000078686770 436275909 /nfs/dbraw/zinc/27/59/09/436275909.db2.gz OIUYIODASQHESI-QGZVFWFLSA-N 1 2 335.452 0.589 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+]([C@H](C)C(=O)N(CC=C)CC=C)CC1 ZINC000042541420 436306422 /nfs/dbraw/zinc/30/64/22/436306422.db2.gz IRTCNVDJEXGCCH-MRXNPFEDSA-N 1 2 334.464 0.495 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000042570874 436306506 /nfs/dbraw/zinc/30/65/06/436306506.db2.gz MPXTVVCIYKZEHO-JKSUJKDBSA-N 1 2 348.491 0.860 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(C)c(-n3cnnn3)c2)CC1 ZINC000085271914 436388142 /nfs/dbraw/zinc/38/81/42/436388142.db2.gz JYXXIDKJISKRDO-UHFFFAOYSA-N 1 2 339.403 0.160 20 30 ECEDLO N#Cc1c(C[N@H+](CCO)CCN2CCOCC2)cn2ccccc12 ZINC000086168743 436391858 /nfs/dbraw/zinc/39/18/58/436391858.db2.gz TZVYYKBXGVXBFG-UHFFFAOYSA-N 1 2 328.416 0.937 20 30 ECEDLO N#Cc1c(C[N@@H+](CCO)CCN2CCOCC2)cn2ccccc12 ZINC000086168743 436391860 /nfs/dbraw/zinc/39/18/60/436391860.db2.gz TZVYYKBXGVXBFG-UHFFFAOYSA-N 1 2 328.416 0.937 20 30 ECEDLO N#Cc1c(CN(CCO)CC[NH+]2CCOCC2)cn2ccccc12 ZINC000086168743 436391863 /nfs/dbraw/zinc/39/18/63/436391863.db2.gz TZVYYKBXGVXBFG-UHFFFAOYSA-N 1 2 328.416 0.937 20 30 ECEDLO COCC(=O)N1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000047996083 436436002 /nfs/dbraw/zinc/43/60/02/436436002.db2.gz FHNHTPHHPSCATF-HNNXBMFYSA-N 1 2 333.388 0.089 20 30 ECEDLO N#Cc1ccc2ncc(C[N@H+]3CC[C@H](S(=O)(=O)NC4CC4)C3)n2c1 ZINC000092071456 436467835 /nfs/dbraw/zinc/46/78/35/436467835.db2.gz FHNVCWRETULQRO-HNNXBMFYSA-N 1 2 345.428 0.862 20 30 ECEDLO N#Cc1ccc2ncc(C[N@@H+]3CC[C@H](S(=O)(=O)NC4CC4)C3)n2c1 ZINC000092071456 436467838 /nfs/dbraw/zinc/46/78/38/436467838.db2.gz FHNVCWRETULQRO-HNNXBMFYSA-N 1 2 345.428 0.862 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2nnc3n2CCCCC3)CC1 ZINC000055528046 436578014 /nfs/dbraw/zinc/57/80/14/436578014.db2.gz YJDSSBGINZRQDF-UHFFFAOYSA-N 1 2 332.452 0.424 20 30 ECEDLO Cc1cccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cnn(C)c2)c1C#N ZINC000181696598 302010827 /nfs/dbraw/zinc/01/08/27/302010827.db2.gz OKHVYSOXBMOJEB-OAHLLOKOSA-N 1 2 345.428 0.935 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2csc(C3CC3)n2)CC1 ZINC000112904752 436634448 /nfs/dbraw/zinc/63/44/48/436634448.db2.gz OMTZDIWKAKKVAC-UHFFFAOYSA-N 1 2 346.456 0.918 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2csc(C3CC3)n2)CC1 ZINC000112904752 436634450 /nfs/dbraw/zinc/63/44/50/436634450.db2.gz OMTZDIWKAKKVAC-UHFFFAOYSA-N 1 2 346.456 0.918 20 30 ECEDLO Cc1ccccc1[C@@]1(C)NC(=O)N(C[C@@H](O)C[N@H+](C)CCC#N)C1=O ZINC000414156359 302169813 /nfs/dbraw/zinc/16/98/13/302169813.db2.gz UUSQBGXHDZZVRY-KBXCAEBGSA-N 1 2 344.415 0.968 20 30 ECEDLO Cc1ccccc1[C@@]1(C)NC(=O)N(C[C@@H](O)C[N@@H+](C)CCC#N)C1=O ZINC000414156359 302169815 /nfs/dbraw/zinc/16/98/15/302169815.db2.gz UUSQBGXHDZZVRY-KBXCAEBGSA-N 1 2 344.415 0.968 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2nccc(OC)n2)CC1 ZINC000064248502 436648213 /nfs/dbraw/zinc/64/82/13/436648213.db2.gz WYPOTWAWLXCNKO-AWEZNQCLSA-N 1 2 346.435 0.615 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C#N)cc2C)CC1 ZINC000120881630 436701123 /nfs/dbraw/zinc/70/11/23/436701123.db2.gz SHDYTWLTGWFPOX-UHFFFAOYSA-N 1 2 338.411 0.764 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C#N)cc2C)CC1 ZINC000120881630 436701127 /nfs/dbraw/zinc/70/11/27/436701127.db2.gz SHDYTWLTGWFPOX-UHFFFAOYSA-N 1 2 338.411 0.764 20 30 ECEDLO N#CC1(c2ccc(C(=O)NCCC[N@@H+]3CCNC(=O)C3)cc2)CC1 ZINC000272028475 436702741 /nfs/dbraw/zinc/70/27/41/436702741.db2.gz DFZYCBILOOSESE-UHFFFAOYSA-N 1 2 326.400 0.793 20 30 ECEDLO N#CC1(c2ccc(C(=O)NCCC[N@H+]3CCNC(=O)C3)cc2)CC1 ZINC000272028475 436702743 /nfs/dbraw/zinc/70/27/43/436702743.db2.gz DFZYCBILOOSESE-UHFFFAOYSA-N 1 2 326.400 0.793 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2cncc(C)c2)CC1 ZINC000151546357 436704769 /nfs/dbraw/zinc/70/47/69/436704769.db2.gz ARXBFIWLQSZQKW-AATRIKPKSA-N 1 2 340.427 0.687 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2cncc(C)c2)CC1 ZINC000151546357 436704771 /nfs/dbraw/zinc/70/47/71/436704771.db2.gz ARXBFIWLQSZQKW-AATRIKPKSA-N 1 2 340.427 0.687 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000067410734 436713818 /nfs/dbraw/zinc/71/38/18/436713818.db2.gz KVWBKPDWRMCDFC-ZDUSSCGKSA-N 1 2 349.435 0.809 20 30 ECEDLO CC(C)C(=O)N1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000118830588 436664389 /nfs/dbraw/zinc/66/43/89/436664389.db2.gz WUMYDMUEURUCFO-UHFFFAOYSA-N 1 2 333.436 0.833 20 30 ECEDLO CC(C)C(=O)N1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000118830588 436664393 /nfs/dbraw/zinc/66/43/93/436664393.db2.gz WUMYDMUEURUCFO-UHFFFAOYSA-N 1 2 333.436 0.833 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2cnn(C)c2C)CC1 ZINC000270254606 436672718 /nfs/dbraw/zinc/67/27/18/436672718.db2.gz VAROMISOGFUPJP-VOTSOKGWSA-N 1 2 343.431 0.025 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2cnn(C)c2C)CC1 ZINC000270254606 436672720 /nfs/dbraw/zinc/67/27/20/436672720.db2.gz VAROMISOGFUPJP-VOTSOKGWSA-N 1 2 343.431 0.025 20 30 ECEDLO Cn1c(NCc2ccc(-n3cc[nH+]c3)cc2)c(C#N)c(=O)n(C)c1=O ZINC000066372299 436683806 /nfs/dbraw/zinc/68/38/06/436683806.db2.gz YREKYASIQJPQOB-UHFFFAOYSA-N 1 2 336.355 0.753 20 30 ECEDLO C#CCCN1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273022132 436733899 /nfs/dbraw/zinc/73/38/99/436733899.db2.gz CBWNWKRPCXHCKM-OAHLLOKOSA-N 1 2 333.388 0.975 20 30 ECEDLO Cc1nnc(NC2CC[NH+](CCS(C)(=O)=O)CC2)c(C#N)c1C ZINC000068766969 436753490 /nfs/dbraw/zinc/75/34/90/436753490.db2.gz KCSLEBLSRZEDEA-UHFFFAOYSA-N 1 2 337.449 0.886 20 30 ECEDLO COC(=O)CNC(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000121512617 436716692 /nfs/dbraw/zinc/71/66/92/436716692.db2.gz PIFZPYLWHRGHKP-HOCLYGCPSA-N 1 2 344.415 0.547 20 30 ECEDLO COC(=O)CNC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000121513100 436717107 /nfs/dbraw/zinc/71/71/07/436717107.db2.gz PIFZPYLWHRGHKP-GDBMZVCRSA-N 1 2 344.415 0.547 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000156569702 436817607 /nfs/dbraw/zinc/81/76/07/436817607.db2.gz UAVHIODUDOBBFG-UHFFFAOYSA-N 1 2 348.422 0.475 20 30 ECEDLO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1[nH]cc[nH+]1 ZINC000125369385 436768638 /nfs/dbraw/zinc/76/86/38/436768638.db2.gz NNPZNJBMXFXHCN-JTQLQIEISA-N 1 2 333.373 0.265 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Cl)nc2C)CC1 ZINC000126215708 436784071 /nfs/dbraw/zinc/78/40/71/436784071.db2.gz NHPJOTUFJJQBLQ-UHFFFAOYSA-N 1 2 348.834 0.941 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Cl)nc2C)CC1 ZINC000126215708 436784075 /nfs/dbraw/zinc/78/40/75/436784075.db2.gz NHPJOTUFJJQBLQ-UHFFFAOYSA-N 1 2 348.834 0.941 20 30 ECEDLO Cc1cc(C)n(C[C@H]2C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CCO2)n1 ZINC000247102429 436789640 /nfs/dbraw/zinc/78/96/40/436789640.db2.gz IHPUIIBAXJLESJ-HZPDHXFCSA-N 1 2 333.436 0.961 20 30 ECEDLO Cc1cc(C)n(C[C@H]2C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CCO2)n1 ZINC000247102429 436789642 /nfs/dbraw/zinc/78/96/42/436789642.db2.gz IHPUIIBAXJLESJ-HZPDHXFCSA-N 1 2 333.436 0.961 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000155586468 436799085 /nfs/dbraw/zinc/79/90/85/436799085.db2.gz QIKZHFWZEDKXDH-GFCCVEGCSA-N 1 2 342.363 0.664 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000155586468 436799088 /nfs/dbraw/zinc/79/90/88/436799088.db2.gz QIKZHFWZEDKXDH-GFCCVEGCSA-N 1 2 342.363 0.664 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\c2cnc(C)s2)CC1 ZINC000255076887 436850163 /nfs/dbraw/zinc/85/01/63/436850163.db2.gz ILBJIUCIEIJZAY-WAYWQWQTSA-N 1 2 346.456 0.748 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\c2cnc(C)s2)CC1 ZINC000255076887 436850169 /nfs/dbraw/zinc/85/01/69/436850169.db2.gz ILBJIUCIEIJZAY-WAYWQWQTSA-N 1 2 346.456 0.748 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)CN1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000279912867 436850596 /nfs/dbraw/zinc/85/05/96/436850596.db2.gz FBAJGNJUFMSGFW-PBHICJAKSA-N 1 2 332.452 0.763 20 30 ECEDLO C#CCOc1ccccc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000274734791 436867044 /nfs/dbraw/zinc/86/70/44/436867044.db2.gz XGHIFAFLLCQHPQ-AWEZNQCLSA-N 1 2 345.399 0.474 20 30 ECEDLO N#Cc1cc(C(=O)N2CC[NH+](CCO)CC2)cnc1C(F)(F)F ZINC000294019982 436928246 /nfs/dbraw/zinc/92/82/46/436928246.db2.gz KQULMAFPBKYWJC-UHFFFAOYSA-N 1 2 328.294 0.722 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000280261685 436876661 /nfs/dbraw/zinc/87/66/61/436876661.db2.gz XTHZLQMXGQMLFH-STQMWFEESA-N 1 2 334.424 0.109 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000280261685 436876664 /nfs/dbraw/zinc/87/66/64/436876664.db2.gz XTHZLQMXGQMLFH-STQMWFEESA-N 1 2 334.424 0.109 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(C)c(S(C)(=O)=O)c2)CC1 ZINC000134885911 436907017 /nfs/dbraw/zinc/90/70/17/436907017.db2.gz ZWFGWMBQXDCCBC-UHFFFAOYSA-N 1 2 349.456 0.588 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000295659490 436975505 /nfs/dbraw/zinc/97/55/05/436975505.db2.gz QOUUVGCQWGKJBD-VXGBXAGGSA-N 1 2 326.397 0.549 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000295659490 436975509 /nfs/dbraw/zinc/97/55/09/436975509.db2.gz QOUUVGCQWGKJBD-VXGBXAGGSA-N 1 2 326.397 0.549 20 30 ECEDLO COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)O[NH+]=C(N)CCO)c1 ZINC000275531858 436980510 /nfs/dbraw/zinc/98/05/10/436980510.db2.gz QNKPXIWEIQDDEJ-QWRGUYRKSA-N 1 2 339.392 0.941 20 30 ECEDLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N(C)Cc2cccc(C#N)c2)CC1 ZINC000297776584 437018671 /nfs/dbraw/zinc/01/86/71/437018671.db2.gz IRDYTTOLVKPPJP-CQSZACIVSA-N 1 2 344.415 0.042 20 30 ECEDLO C=C(C)Cn1c(C)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000283187545 437025295 /nfs/dbraw/zinc/02/52/95/437025295.db2.gz GSDZXUHQNFTNPC-UHFFFAOYSA-N 1 2 332.452 0.907 20 30 ECEDLO N#CCCCCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000171741117 436987247 /nfs/dbraw/zinc/98/72/47/436987247.db2.gz MABQCFDPNPQKOQ-UHFFFAOYSA-N 1 2 331.424 0.592 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)C1=O ZINC000282019532 437009511 /nfs/dbraw/zinc/00/95/11/437009511.db2.gz PAKUNIPSGOITNE-ZFWWWQNUSA-N 1 2 326.404 0.646 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)C1=O ZINC000282019532 437009516 /nfs/dbraw/zinc/00/95/16/437009516.db2.gz PAKUNIPSGOITNE-ZFWWWQNUSA-N 1 2 326.404 0.646 20 30 ECEDLO CN(CC[NH+]1CCOCC1)C(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000275752282 437009815 /nfs/dbraw/zinc/00/98/15/437009815.db2.gz DPIBJTWYPCDIGC-UHFFFAOYSA-N 1 2 342.399 0.238 20 30 ECEDLO C=CCn1c(C)nnc1N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000282338424 437010885 /nfs/dbraw/zinc/01/08/85/437010885.db2.gz RLGWFXXKYVCCJZ-UHFFFAOYSA-N 1 2 339.407 0.776 20 30 ECEDLO Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329202216 303011239 /nfs/dbraw/zinc/01/12/39/303011239.db2.gz CESMNVBBANAMFC-XQLPTFJDSA-N 1 2 349.435 0.569 20 30 ECEDLO Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329202216 303011240 /nfs/dbraw/zinc/01/12/40/303011240.db2.gz CESMNVBBANAMFC-XQLPTFJDSA-N 1 2 349.435 0.569 20 30 ECEDLO C=CCSCCNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000286499786 437093952 /nfs/dbraw/zinc/09/39/52/437093952.db2.gz NIMQDBMRLQYRAX-ZDUSSCGKSA-N 1 2 334.445 0.812 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cccc(C(N)=O)c1 ZINC000265154144 437102948 /nfs/dbraw/zinc/10/29/48/437102948.db2.gz CFUVZSPTUBOMAG-UHFFFAOYSA-N 1 2 345.403 0.865 20 30 ECEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000331676983 437143303 /nfs/dbraw/zinc/14/33/03/437143303.db2.gz OXYSVCSIYVANNC-DZGCQCFKSA-N 1 2 342.465 0.197 20 30 ECEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000331676983 437143306 /nfs/dbraw/zinc/14/33/06/437143306.db2.gz OXYSVCSIYVANNC-DZGCQCFKSA-N 1 2 342.465 0.197 20 30 ECEDLO Cc1ccc(N2CC[NH+](CC(=O)N3CCOCC3)CC2)nc1C#N ZINC000302700533 437148546 /nfs/dbraw/zinc/14/85/46/437148546.db2.gz IBZZYNOAUAWJRQ-UHFFFAOYSA-N 1 2 329.404 0.243 20 30 ECEDLO N#Cc1ccccc1C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000265397998 437120738 /nfs/dbraw/zinc/12/07/38/437120738.db2.gz XDDRRRXRYKMKEA-HOTGVXAUSA-N 1 2 335.429 0.146 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000332126108 437206972 /nfs/dbraw/zinc/20/69/72/437206972.db2.gz IQMMHEWMXPIOND-ZFWWWQNUSA-N 1 2 344.481 0.508 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000332126108 437206977 /nfs/dbraw/zinc/20/69/77/437206977.db2.gz IQMMHEWMXPIOND-ZFWWWQNUSA-N 1 2 344.481 0.508 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)cc1O ZINC000332153639 437208327 /nfs/dbraw/zinc/20/83/27/437208327.db2.gz WFZLYSMFUNTBKH-UHFFFAOYSA-N 1 2 345.399 0.563 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)C1=O ZINC000328815459 437267492 /nfs/dbraw/zinc/26/74/92/437267492.db2.gz NQCQKHXEXHDDLK-ZIAGYGMSSA-N 1 2 327.450 0.273 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)C1=O ZINC000328815459 437267495 /nfs/dbraw/zinc/26/74/95/437267495.db2.gz NQCQKHXEXHDDLK-ZIAGYGMSSA-N 1 2 327.450 0.273 20 30 ECEDLO C=CCN1CC[C@@H](N(C)c2nc(NCCO)[nH+]c(NC(C)C)n2)C1=O ZINC000287724428 437226099 /nfs/dbraw/zinc/22/60/99/437226099.db2.gz LIBOJJNHLSAAPK-GFCCVEGCSA-N 1 2 349.439 0.319 20 30 ECEDLO C=CCN1CC[C@@H](N(C)c2nc(NC(C)C)nc(NCCO)[nH+]2)C1=O ZINC000287724428 437226105 /nfs/dbraw/zinc/22/61/05/437226105.db2.gz LIBOJJNHLSAAPK-GFCCVEGCSA-N 1 2 349.439 0.319 20 30 ECEDLO C=CCN1CC[C@@H](N(C)c2nc(NCCO)nc(NC(C)C)[nH+]2)C1=O ZINC000287724428 437226107 /nfs/dbraw/zinc/22/61/07/437226107.db2.gz LIBOJJNHLSAAPK-GFCCVEGCSA-N 1 2 349.439 0.319 20 30 ECEDLO N#Cc1ccc(NC(=O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1Cl ZINC000178964762 437243417 /nfs/dbraw/zinc/24/34/17/437243417.db2.gz TZVKVGDIXMBVAC-ZDUSSCGKSA-N 1 2 347.806 0.266 20 30 ECEDLO CC[N@H+](Cc1nnc(C)o1)[C@H]1CN(C(=O)NCc2ccoc2)C[C@H]1O ZINC000328640290 437245162 /nfs/dbraw/zinc/24/51/62/437245162.db2.gz PZRZOTHXSYMKKB-UONOGXRCSA-N 1 2 349.391 0.952 20 30 ECEDLO CC[N@@H+](Cc1nnc(C)o1)[C@H]1CN(C(=O)NCc2ccoc2)C[C@H]1O ZINC000328640290 437245166 /nfs/dbraw/zinc/24/51/66/437245166.db2.gz PZRZOTHXSYMKKB-UONOGXRCSA-N 1 2 349.391 0.952 20 30 ECEDLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCNC(=O)C1 ZINC000328714378 437255543 /nfs/dbraw/zinc/25/55/43/437255543.db2.gz DAUPPPLMXGWEHH-OLZOCXBDSA-N 1 2 338.408 0.243 20 30 ECEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1CC(=O)NCC(=O)N1CCCC1 ZINC000329059463 437311613 /nfs/dbraw/zinc/31/16/13/437311613.db2.gz JCOKBDBUVUDNOZ-HUUCEWRRSA-N 1 2 338.452 0.360 20 30 ECEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3cnn(-c4ncccn4)c3)C[C@H]21 ZINC000329059257 437311688 /nfs/dbraw/zinc/31/16/88/437311688.db2.gz YQPUNODZCKVPOS-KGLIPLIRSA-N 1 2 343.391 0.613 20 30 ECEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3cnn(-c4ncccn4)c3)C[C@H]21 ZINC000329059257 437311691 /nfs/dbraw/zinc/31/16/91/437311691.db2.gz YQPUNODZCKVPOS-KGLIPLIRSA-N 1 2 343.391 0.613 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000336951811 437318630 /nfs/dbraw/zinc/31/86/30/437318630.db2.gz VDFCCWRCSITOSJ-AWEZNQCLSA-N 1 2 331.486 0.082 20 30 ECEDLO CC(=O)N1CC[C@H](CN(C)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000328841292 437270623 /nfs/dbraw/zinc/27/06/23/437270623.db2.gz OQBLRQCADBZRIP-OAHLLOKOSA-N 1 2 340.468 0.811 20 30 ECEDLO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(C#N)ccc2C)CC1 ZINC000182403897 437348068 /nfs/dbraw/zinc/34/80/68/437348068.db2.gz ZGSWPECHKIPQPT-OAHLLOKOSA-N 1 2 337.445 0.944 20 30 ECEDLO CN(C)[C@H](C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1c[nH+]cn1C ZINC000329368494 437356914 /nfs/dbraw/zinc/35/69/14/437356914.db2.gz JEOJWVBEJYOFTD-OCCSQVGLSA-N 1 2 345.407 0.518 20 30 ECEDLO CCN1CCOC[C@H]1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000329377307 437360079 /nfs/dbraw/zinc/36/00/79/437360079.db2.gz MDGFEUGTXKABDR-HNNXBMFYSA-N 1 2 337.424 0.524 20 30 ECEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N1CCC[C@H](O)C1 ZINC000329436707 437370187 /nfs/dbraw/zinc/37/01/87/437370187.db2.gz MAZUJEYMCHOTJT-HNNXBMFYSA-N 1 2 338.452 0.301 20 30 ECEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279099620 437372924 /nfs/dbraw/zinc/37/29/24/437372924.db2.gz QOSIDAGFXZKHNM-PIGZYNQJSA-N 1 2 341.371 0.559 20 30 ECEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279099620 437372927 /nfs/dbraw/zinc/37/29/27/437372927.db2.gz QOSIDAGFXZKHNM-PIGZYNQJSA-N 1 2 341.371 0.559 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000337083289 437328191 /nfs/dbraw/zinc/32/81/91/437328191.db2.gz BLWJIKNNTSGWOR-UHFFFAOYSA-N 1 2 332.470 0.509 20 30 ECEDLO CO/N=C/c1ccc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000267633396 437329557 /nfs/dbraw/zinc/32/95/57/437329557.db2.gz GEODZOATEYXLEV-GYKGCMEESA-N 1 2 335.404 0.432 20 30 ECEDLO C[C@H](CN1CCOCC1)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000329188178 437331665 /nfs/dbraw/zinc/33/16/65/437331665.db2.gz BLPNDSJDFOQWLL-OWCLPIDISA-N 1 2 340.468 0.416 20 30 ECEDLO C[C@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CCN1S(C)(=O)=O ZINC000329744301 437406931 /nfs/dbraw/zinc/40/69/31/437406931.db2.gz XSOSGVBUQDJKDI-WDEREUQCSA-N 1 2 341.437 0.147 20 30 ECEDLO C[C@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CCN1S(C)(=O)=O ZINC000329744301 437406933 /nfs/dbraw/zinc/40/69/33/437406933.db2.gz XSOSGVBUQDJKDI-WDEREUQCSA-N 1 2 341.437 0.147 20 30 ECEDLO CC(=O)NC1CN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000329795470 437414707 /nfs/dbraw/zinc/41/47/07/437414707.db2.gz CYEFEEVBATVRGJ-UHFFFAOYSA-N 1 2 347.423 0.173 20 30 ECEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCN3CCOC[C@@H]3C1)CCC2 ZINC000329810678 437416683 /nfs/dbraw/zinc/41/66/83/437416683.db2.gz CLXOFROKEAGDTR-GJZGRUSLSA-N 1 2 333.436 0.999 20 30 ECEDLO CCN(CC)C(=O)C[NH+]1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000268468946 437421683 /nfs/dbraw/zinc/42/16/83/437421683.db2.gz IYUOCUVDBUIGJT-UHFFFAOYSA-N 1 2 346.391 0.852 20 30 ECEDLO Cn1nnc2ccc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)cc21 ZINC000185163825 437428828 /nfs/dbraw/zinc/42/88/28/437428828.db2.gz FPTWBMIIABSIIZ-UHFFFAOYSA-N 1 2 342.403 0.656 20 30 ECEDLO CN(C(=O)CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)C1CCCCC1 ZINC000329540946 437380876 /nfs/dbraw/zinc/38/08/76/437380876.db2.gz DDWDTKZBNTWRHG-LSDHHAIUSA-N 1 2 338.452 0.706 20 30 ECEDLO CN(C(=O)CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)C1CCCCC1 ZINC000329540946 437380879 /nfs/dbraw/zinc/38/08/79/437380879.db2.gz DDWDTKZBNTWRHG-LSDHHAIUSA-N 1 2 338.452 0.706 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(CC3CCCC3)n2C)CC1 ZINC000337820968 437381563 /nfs/dbraw/zinc/38/15/63/437381563.db2.gz RVKGFYFDRJINNR-UHFFFAOYSA-N 1 2 346.479 0.972 20 30 ECEDLO C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000329554443 437383264 /nfs/dbraw/zinc/38/32/64/437383264.db2.gz BFKDQVPQJMESFB-SDDRHHMPSA-N 1 2 326.422 0.697 20 30 ECEDLO C[C@H](NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)C(=O)N1CCCC[C@H]1C ZINC000329602911 437388942 /nfs/dbraw/zinc/38/89/42/437388942.db2.gz LCKWFKQPZAUOLR-CBBWQLFWSA-N 1 2 338.452 0.705 20 30 ECEDLO C[C@H](NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)C(=O)N1CCCC[C@H]1C ZINC000329602911 437388946 /nfs/dbraw/zinc/38/89/46/437388946.db2.gz LCKWFKQPZAUOLR-CBBWQLFWSA-N 1 2 338.452 0.705 20 30 ECEDLO C[C@H](NC(=O)N1C[C@H]2OCCN(C)[C@H]2C1)[C@H](C)[NH+]1CCOCC1 ZINC000329637908 437395359 /nfs/dbraw/zinc/39/53/59/437395359.db2.gz YUWVJMXUUSCXHV-ZQDZILKHSA-N 1 2 326.441 0.024 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2cc(OC)ncn2)CC1 ZINC000184063197 437397045 /nfs/dbraw/zinc/39/70/45/437397045.db2.gz UNLZUTCCQRHMKX-CQSZACIVSA-N 1 2 346.435 0.615 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCO[C@H]3CCC[C@H]32)CC1 ZINC000330286174 437479006 /nfs/dbraw/zinc/47/90/06/437479006.db2.gz ZQCYEPLHRXWJRY-ZACQAIPSSA-N 1 2 334.464 0.932 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCO[C@H]3CCC[C@H]32)CC1 ZINC000330286174 437479012 /nfs/dbraw/zinc/47/90/12/437479012.db2.gz ZQCYEPLHRXWJRY-ZACQAIPSSA-N 1 2 334.464 0.932 20 30 ECEDLO CN(C(=O)CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1)C1CCCCC1 ZINC000329974567 437440411 /nfs/dbraw/zinc/44/04/11/437440411.db2.gz DDWDTKZBNTWRHG-HUUCEWRRSA-N 1 2 338.452 0.706 20 30 ECEDLO CN(C(=O)CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1)C1CCCCC1 ZINC000329974567 437440413 /nfs/dbraw/zinc/44/04/13/437440413.db2.gz DDWDTKZBNTWRHG-HUUCEWRRSA-N 1 2 338.452 0.706 20 30 ECEDLO CC(=O)N1CCC[C@H](CNC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000329998693 437442608 /nfs/dbraw/zinc/44/26/08/437442608.db2.gz STTVYIFPYFXGDF-GDBMZVCRSA-N 1 2 340.468 0.811 20 30 ECEDLO CCC(=O)N1CC[C@@H](NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC000330003761 437444102 /nfs/dbraw/zinc/44/41/02/437444102.db2.gz ANGQAVZZGGGYCC-OAHLLOKOSA-N 1 2 348.451 0.463 20 30 ECEDLO CC(C)(CNC(=O)N1CC[C@@H](N2CCCC2=O)C1)[NH+]1CCOCC1 ZINC000330041610 437447492 /nfs/dbraw/zinc/44/74/92/437447492.db2.gz DFANOZYMELLRLP-CQSZACIVSA-N 1 2 338.452 0.708 20 30 ECEDLO C[C@H](NC(=O)N1CCc2c(ncn(C)c2=O)C1)[C@H](C)[NH+]1CCOCC1 ZINC000330072756 437450196 /nfs/dbraw/zinc/45/01/96/437450196.db2.gz ZGJOVBSUEGDXDA-STQMWFEESA-N 1 2 349.435 0.162 20 30 ECEDLO C[N@@H+](CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@@H]1CCCO1 ZINC000330161998 437461395 /nfs/dbraw/zinc/46/13/95/437461395.db2.gz SCZQDUJCXRMSAS-QWRGUYRKSA-N 1 2 333.410 0.155 20 30 ECEDLO C[N@H+](CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@@H]1CCCO1 ZINC000330161998 437461399 /nfs/dbraw/zinc/46/13/99/437461399.db2.gz SCZQDUJCXRMSAS-QWRGUYRKSA-N 1 2 333.410 0.155 20 30 ECEDLO CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000330192370 437466741 /nfs/dbraw/zinc/46/67/41/437466741.db2.gz XVJSGPPMCRJPGL-YNEHKIRRSA-N 1 2 339.396 0.384 20 30 ECEDLO CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000330192370 437466743 /nfs/dbraw/zinc/46/67/43/437466743.db2.gz XVJSGPPMCRJPGL-YNEHKIRRSA-N 1 2 339.396 0.384 20 30 ECEDLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 ZINC000359986358 437497640 /nfs/dbraw/zinc/49/76/40/437497640.db2.gz JYMFWZGHUQCNHF-GFCCVEGCSA-N 1 2 341.408 0.526 20 30 ECEDLO CC(C)[C@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)[NH+]1CCN(C)CC1 ZINC000330393642 437500642 /nfs/dbraw/zinc/50/06/42/437500642.db2.gz QOGUPAPTWLDSFV-CABCVRRESA-N 1 2 345.513 0.184 20 30 ECEDLO CN(CCC#N)C(=O)CC[N@@H+]1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000330544371 437546050 /nfs/dbraw/zinc/54/60/50/437546050.db2.gz BGNCBUGJVRBSKF-KGLIPLIRSA-N 1 2 340.399 0.020 20 30 ECEDLO CN(CCC#N)C(=O)CC[N@H+]1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000330544371 437546057 /nfs/dbraw/zinc/54/60/57/437546057.db2.gz BGNCBUGJVRBSKF-KGLIPLIRSA-N 1 2 340.399 0.020 20 30 ECEDLO CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000330552649 437549389 /nfs/dbraw/zinc/54/93/89/437549389.db2.gz NXQATDPOPIMBPL-NEPJUHHUSA-N 1 2 325.413 0.508 20 30 ECEDLO CCCNC(=O)NC(=O)C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000330552649 437549390 /nfs/dbraw/zinc/54/93/90/437549390.db2.gz NXQATDPOPIMBPL-NEPJUHHUSA-N 1 2 325.413 0.508 20 30 ECEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)CSCC#N)ccn2)CC1 ZINC000343305982 437553179 /nfs/dbraw/zinc/55/31/79/437553179.db2.gz TWBFWTYMTQWMSH-UHFFFAOYSA-N 1 2 333.417 0.664 20 30 ECEDLO COC(=O)[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)[C@@H]1C ZINC000343690039 437627788 /nfs/dbraw/zinc/62/77/88/437627788.db2.gz MFDOQWQBRZHXPO-YPMHNXCESA-N 1 2 337.401 0.610 20 30 ECEDLO COC(=O)[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)[C@@H]1C ZINC000343690039 437627791 /nfs/dbraw/zinc/62/77/91/437627791.db2.gz MFDOQWQBRZHXPO-YPMHNXCESA-N 1 2 337.401 0.610 20 30 ECEDLO C[C@@H](C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1)c1cccc(C#N)c1 ZINC000360712426 437633621 /nfs/dbraw/zinc/63/36/21/437633621.db2.gz HXQKKUBMHPXEFL-CZUORRHYSA-N 1 2 344.415 0.306 20 30 ECEDLO C[C@@H](C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1)c1cccc(C#N)c1 ZINC000360712426 437633625 /nfs/dbraw/zinc/63/36/25/437633625.db2.gz HXQKKUBMHPXEFL-CZUORRHYSA-N 1 2 344.415 0.306 20 30 ECEDLO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](C)CCNC(=O)N(C)C ZINC000330870922 437637217 /nfs/dbraw/zinc/63/72/17/437637217.db2.gz BSTBRGZSSCUIFX-UHFFFAOYSA-N 1 2 338.456 0.473 20 30 ECEDLO Cc1nn(C)c(N2CCOCC2)c1C[N@H+](C)CCNC(=O)N(C)C ZINC000330870922 437637223 /nfs/dbraw/zinc/63/72/23/437637223.db2.gz BSTBRGZSSCUIFX-UHFFFAOYSA-N 1 2 338.456 0.473 20 30 ECEDLO COC(=O)[C@@H]1CCCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000330901427 437645933 /nfs/dbraw/zinc/64/59/33/437645933.db2.gz WYEHZDCZXYNANB-MGPQQGTHSA-N 1 2 327.425 0.895 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nccn(C(F)F)c2=O)CC1 ZINC000360880055 437653077 /nfs/dbraw/zinc/65/30/77/437653077.db2.gz PQXKYFYEXWBVEW-UHFFFAOYSA-N 1 2 327.335 0.063 20 30 ECEDLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000330946959 437656144 /nfs/dbraw/zinc/65/61/44/437656144.db2.gz LLHSVIGNSROBFG-OLZOCXBDSA-N 1 2 340.424 0.138 20 30 ECEDLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000330946959 437656151 /nfs/dbraw/zinc/65/61/51/437656151.db2.gz LLHSVIGNSROBFG-OLZOCXBDSA-N 1 2 340.424 0.138 20 30 ECEDLO CC(C)NC(=O)N1CCC[C@H]1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330962260 437658372 /nfs/dbraw/zinc/65/83/72/437658372.db2.gz GELJBYIMIJCVCC-KBPBESRZSA-N 1 2 326.441 0.610 20 30 ECEDLO CC(C)NC(=O)N1CCC[C@H]1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330962260 437658377 /nfs/dbraw/zinc/65/83/77/437658377.db2.gz GELJBYIMIJCVCC-KBPBESRZSA-N 1 2 326.441 0.610 20 30 ECEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000331057333 437680226 /nfs/dbraw/zinc/68/02/26/437680226.db2.gz LTOMHPICTCJHKA-NSHDSACASA-N 1 2 329.426 0.316 20 30 ECEDLO C=C[C@H](CO)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000292482690 437694676 /nfs/dbraw/zinc/69/46/76/437694676.db2.gz QDYVXXJLGFRERW-OLZOCXBDSA-N 1 2 325.434 0.968 20 30 ECEDLO C=CCc1cc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc(OC)c1O ZINC000355331349 437698738 /nfs/dbraw/zinc/69/87/38/437698738.db2.gz YWISJFWQSDFZOQ-ZDUSSCGKSA-N 1 2 331.372 0.865 20 30 ECEDLO C=CCc1cc(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc(OC)c1O ZINC000355331349 437698742 /nfs/dbraw/zinc/69/87/42/437698742.db2.gz YWISJFWQSDFZOQ-ZDUSSCGKSA-N 1 2 331.372 0.865 20 30 ECEDLO COCC[N@@H+]1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)C[C@@H]1C ZINC000331111872 437691921 /nfs/dbraw/zinc/69/19/21/437691921.db2.gz CBEKBIQUTLNUDL-LBPRGKRZSA-N 1 2 338.433 0.603 20 30 ECEDLO COCC[N@H+]1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)C[C@@H]1C ZINC000331111872 437691922 /nfs/dbraw/zinc/69/19/22/437691922.db2.gz CBEKBIQUTLNUDL-LBPRGKRZSA-N 1 2 338.433 0.603 20 30 ECEDLO N#CC1(CS(=O)(=O)NC[C@@H]2C[NH+]3CCN2CC3)CCCCC1 ZINC000356492460 437772607 /nfs/dbraw/zinc/77/26/07/437772607.db2.gz VEJQLQFXFYTXKO-CQSZACIVSA-N 1 2 326.466 0.380 20 30 ECEDLO N#C[C@H]1COCCN1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000362479384 437740528 /nfs/dbraw/zinc/74/05/28/437740528.db2.gz LVPMQCSRDKGHEL-HNNXBMFYSA-N 1 2 334.445 0.617 20 30 ECEDLO C=CC[C@@H](C)NC(=O)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000364682008 437820931 /nfs/dbraw/zinc/82/09/31/437820931.db2.gz MAIUTXQRPAKGIS-HUUCEWRRSA-N 1 2 338.452 0.573 20 30 ECEDLO C=CC[C@H](CO)NC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000346937472 437823273 /nfs/dbraw/zinc/82/32/73/437823273.db2.gz ACHOMFAMGJNBOF-SUYBPPKGSA-N 1 2 346.431 0.915 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000347009505 437825377 /nfs/dbraw/zinc/82/53/77/437825377.db2.gz GSMUBBVOSMZEJJ-IPYPFGDCSA-N 1 2 332.404 0.412 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc2n[nH]nc2n1 ZINC000347037529 437826145 /nfs/dbraw/zinc/82/61/45/437826145.db2.gz KCBKMRYGQVVVPP-UHFFFAOYSA-N 1 2 329.364 0.041 20 30 ECEDLO C[N@@H+]1CCc2nc3ccccc3c(C(=O)NCC(=O)NCC#N)c2C1 ZINC000344981050 437777043 /nfs/dbraw/zinc/77/70/43/437777043.db2.gz POLJPXIZVMKKLH-UHFFFAOYSA-N 1 2 337.383 0.592 20 30 ECEDLO C[N@H+]1CCc2nc3ccccc3c(C(=O)NCC(=O)NCC#N)c2C1 ZINC000344981050 437777051 /nfs/dbraw/zinc/77/70/51/437777051.db2.gz POLJPXIZVMKKLH-UHFFFAOYSA-N 1 2 337.383 0.592 20 30 ECEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000345494231 437792072 /nfs/dbraw/zinc/79/20/72/437792072.db2.gz HHQRXIZEJGAPMJ-HUUCEWRRSA-N 1 2 339.436 0.017 20 30 ECEDLO C=CC[C@H](CO)NC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000346431928 437811214 /nfs/dbraw/zinc/81/12/14/437811214.db2.gz OPXGHYBQZNEBPU-CHWSQXEVSA-N 1 2 335.408 0.147 20 30 ECEDLO COC(=O)C[C@H]1CSCC[N@@H+]1[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000346420636 437812156 /nfs/dbraw/zinc/81/21/56/437812156.db2.gz YWXGHYZNYNCTBT-RYUDHWBXSA-N 1 2 325.434 0.918 20 30 ECEDLO COC(=O)C[C@H]1CSCC[N@H+]1[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000346420636 437812160 /nfs/dbraw/zinc/81/21/60/437812160.db2.gz YWXGHYZNYNCTBT-RYUDHWBXSA-N 1 2 325.434 0.918 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000346538735 437814695 /nfs/dbraw/zinc/81/46/95/437814695.db2.gz KHEZJZSSUHNIGU-LBPRGKRZSA-N 1 2 332.383 0.689 20 30 ECEDLO CN(C(=O)C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)C1(C#N)CCCCC1 ZINC000365004985 437844004 /nfs/dbraw/zinc/84/40/04/437844004.db2.gz VIXKXLNTSNBLSM-KRWDZBQOSA-N 1 2 347.419 0.345 20 30 ECEDLO CN(C(=O)C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)C1(C#N)CCCCC1 ZINC000365004985 437844006 /nfs/dbraw/zinc/84/40/06/437844006.db2.gz VIXKXLNTSNBLSM-KRWDZBQOSA-N 1 2 347.419 0.345 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000341487879 437851363 /nfs/dbraw/zinc/85/13/63/437851363.db2.gz YDXOLROWBPJPCF-KBMXLJTQSA-N 1 2 334.372 0.560 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000341487879 437851367 /nfs/dbraw/zinc/85/13/67/437851367.db2.gz YDXOLROWBPJPCF-KBMXLJTQSA-N 1 2 334.372 0.560 20 30 ECEDLO COCC1(C#N)CC[NH+](CC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000341983095 437935073 /nfs/dbraw/zinc/93/50/73/437935073.db2.gz BLFPDYSTQRCSKV-UHFFFAOYSA-N 1 2 336.314 0.627 20 30 ECEDLO C=CCOCCCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000371111814 437885205 /nfs/dbraw/zinc/88/52/05/437885205.db2.gz CKXGOXGUXGOWNQ-OAHLLOKOSA-N 1 2 339.436 0.019 20 30 ECEDLO C=CCCOCCNC(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000342012588 437942975 /nfs/dbraw/zinc/94/29/75/437942975.db2.gz XVMWVODEENYMHC-HUUCEWRRSA-N 1 2 341.452 0.263 20 30 ECEDLO CCOC(=O)CCCNC(=O)C[NH+]1CCC(C#N)(COC)CC1 ZINC000341990352 437935642 /nfs/dbraw/zinc/93/56/42/437935642.db2.gz MNZSHIUKTDSVKU-UHFFFAOYSA-N 1 2 325.409 0.698 20 30 ECEDLO N#Cc1ccncc1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000342417101 438015568 /nfs/dbraw/zinc/01/55/68/438015568.db2.gz QVXPSMDPMISDGY-UHFFFAOYSA-N 1 2 326.360 0.734 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000372135524 438038007 /nfs/dbraw/zinc/03/80/07/438038007.db2.gz BVABLMDSZZAZFT-DZGCQCFKSA-N 1 2 341.477 0.732 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000372135524 438038010 /nfs/dbraw/zinc/03/80/10/438038010.db2.gz BVABLMDSZZAZFT-DZGCQCFKSA-N 1 2 341.477 0.732 20 30 ECEDLO N#CC1(C(=O)NC[C@@]2([NH+]3CCOCC3)CCCOC2)CCOCC1 ZINC000366289478 438048325 /nfs/dbraw/zinc/04/83/25/438048325.db2.gz KIMIYIACJOGLCR-KRWDZBQOSA-N 1 2 337.420 0.304 20 30 ECEDLO C=CCOC[C@@H]1NC(=O)N(c2ccc(N3CCOCC3)[nH+]c2C)C1=O ZINC000348694557 438085278 /nfs/dbraw/zinc/08/52/78/438085278.db2.gz PCIJRARRRPXTKT-ZDUSSCGKSA-N 1 2 346.387 0.854 20 30 ECEDLO CCOC(=O)[C@@H]([NH2+]CCC(=O)N(C)CCC#N)C1CCOCC1 ZINC000348776014 438097601 /nfs/dbraw/zinc/09/76/01/438097601.db2.gz OTUNQUMUFCRBMG-HNNXBMFYSA-N 1 2 325.409 0.696 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)Cc2ccnn2C)CC1 ZINC000348372775 438054165 /nfs/dbraw/zinc/05/41/65/438054165.db2.gz ORMVFXIISFXNAU-MRXNPFEDSA-N 1 2 332.452 0.544 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)Cc2ccnn2C)CC1 ZINC000348372775 438054170 /nfs/dbraw/zinc/05/41/70/438054170.db2.gz ORMVFXIISFXNAU-MRXNPFEDSA-N 1 2 332.452 0.544 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000348405385 438059014 /nfs/dbraw/zinc/05/90/14/438059014.db2.gz JKTOAUUDRFOBOP-OLZOCXBDSA-N 1 2 334.424 0.489 20 30 ECEDLO CCOC(=O)C1(O)CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000348538222 438073398 /nfs/dbraw/zinc/07/33/98/438073398.db2.gz AGNYYTZUJDICKV-CJNGLKHVSA-N 1 2 339.436 0.819 20 30 ECEDLO CN1C[C@H]2C[N@H+](CC(=O)NCc3ccc(C#N)cc3)CCN2C1=O ZINC000373234283 438139246 /nfs/dbraw/zinc/13/92/46/438139246.db2.gz VLGCCUBFVIGDML-HNNXBMFYSA-N 1 2 327.388 0.226 20 30 ECEDLO CN1C[C@H]2C[N@@H+](CC(=O)NCc3ccc(C#N)cc3)CCN2C1=O ZINC000373234283 438139254 /nfs/dbraw/zinc/13/92/54/438139254.db2.gz VLGCCUBFVIGDML-HNNXBMFYSA-N 1 2 327.388 0.226 20 30 ECEDLO C=CCCOCCNC(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000366923214 438144305 /nfs/dbraw/zinc/14/43/05/438144305.db2.gz PHPXHUICMVAKKE-UHFFFAOYSA-N 1 2 338.452 0.704 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)C1=O ZINC000367252769 438189416 /nfs/dbraw/zinc/18/94/16/438189416.db2.gz OAPOXQPQLHZAEQ-CQSZACIVSA-N 1 2 327.450 0.273 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)C1=O ZINC000367252769 438189420 /nfs/dbraw/zinc/18/94/20/438189420.db2.gz OAPOXQPQLHZAEQ-CQSZACIVSA-N 1 2 327.450 0.273 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000350442034 438213678 /nfs/dbraw/zinc/21/36/78/438213678.db2.gz XOUJXFVUPUPCIE-UHFFFAOYSA-N 1 2 344.415 0.551 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CCN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000405349391 438470055 /nfs/dbraw/zinc/47/00/55/438470055.db2.gz NAMKUPDCTCONNM-LSDHHAIUSA-N 1 2 335.429 0.083 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CCN2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000405349391 438470060 /nfs/dbraw/zinc/47/00/60/438470060.db2.gz NAMKUPDCTCONNM-LSDHHAIUSA-N 1 2 335.429 0.083 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000408016817 438487379 /nfs/dbraw/zinc/48/73/79/438487379.db2.gz NKTNTEHUEXMVNF-MGPQQGTHSA-N 1 2 330.454 0.118 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000408016817 438487382 /nfs/dbraw/zinc/48/73/82/438487382.db2.gz NKTNTEHUEXMVNF-MGPQQGTHSA-N 1 2 330.454 0.118 20 30 ECEDLO CNC(=O)C[N@@H+]1CCCN(CCOc2ccc(C#N)cc2OC)CC1 ZINC000369584461 438493983 /nfs/dbraw/zinc/49/39/83/438493983.db2.gz NHRVQBNKOKDQFN-UHFFFAOYSA-N 1 2 346.431 0.699 20 30 ECEDLO CNC(=O)C[N@H+]1CCCN(CCOc2ccc(C#N)cc2OC)CC1 ZINC000369584461 438493986 /nfs/dbraw/zinc/49/39/86/438493986.db2.gz NHRVQBNKOKDQFN-UHFFFAOYSA-N 1 2 346.431 0.699 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@@H](O)COC1CCOCC1 ZINC000446787897 438672460 /nfs/dbraw/zinc/67/24/60/438672460.db2.gz ZCTKKKKJEADLOW-MRXNPFEDSA-N 1 2 341.452 0.091 20 30 ECEDLO N#CCC[N@H+](CCN1CCOCC1)C[C@@H](O)COC1CCOCC1 ZINC000446787897 438672464 /nfs/dbraw/zinc/67/24/64/438672464.db2.gz ZCTKKKKJEADLOW-MRXNPFEDSA-N 1 2 341.452 0.091 20 30 ECEDLO N#CCC[N@@H+](CCN1CCOCC1)C[C@@H](O)COC1CCOCC1 ZINC000446787897 438672466 /nfs/dbraw/zinc/67/24/66/438672466.db2.gz ZCTKKKKJEADLOW-MRXNPFEDSA-N 1 2 341.452 0.091 20 30 ECEDLO C[C@@H]1C[C@@]1(C#N)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000448836907 438686180 /nfs/dbraw/zinc/68/61/80/438686180.db2.gz RDQZFDMQHWDSNH-KDOFPFPSSA-N 1 2 341.415 0.786 20 30 ECEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000577188241 438822411 /nfs/dbraw/zinc/82/24/11/438822411.db2.gz ATSMSZVHZZKSBJ-ZDUSSCGKSA-N 1 2 338.433 0.275 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N2CC[C@@](C)(C#N)C2)C1=O ZINC000595580330 438827670 /nfs/dbraw/zinc/82/76/70/438827670.db2.gz PBPZJNWTQWSYAI-GUYCJALGSA-N 1 2 344.419 0.856 20 30 ECEDLO N#CC1(NC(=O)C[N@@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)CCC1 ZINC000559308167 438834101 /nfs/dbraw/zinc/83/41/01/438834101.db2.gz RANJHGGAZHWFMA-MRXNPFEDSA-N 1 2 340.427 0.982 20 30 ECEDLO N#CC1(NC(=O)C[N@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)CCC1 ZINC000559308167 438834104 /nfs/dbraw/zinc/83/41/04/438834104.db2.gz RANJHGGAZHWFMA-MRXNPFEDSA-N 1 2 340.427 0.982 20 30 ECEDLO N#Cc1cccc(CNC(=O)CN2CCC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000578079723 438895019 /nfs/dbraw/zinc/89/50/19/438895019.db2.gz BGTGNNITJQJCLQ-SFHVURJKSA-N 1 2 342.443 0.971 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N[C@@H]2CC[C@H](C#N)C2)C1=O ZINC000563024510 438857399 /nfs/dbraw/zinc/85/73/99/438857399.db2.gz AUOJTRMOTGRVNK-BFHYXJOUSA-N 1 2 344.419 0.903 20 30 ECEDLO CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@@](C)(C#N)C1)S(C)(=O)=O ZINC000595839067 438869029 /nfs/dbraw/zinc/86/90/29/438869029.db2.gz YMSRULUWYXSNNI-HNNXBMFYSA-N 1 2 344.481 0.398 20 30 ECEDLO CC(C)N(CCCNC(=O)C[N@H+]1CC[C@@](C)(C#N)C1)S(C)(=O)=O ZINC000595839067 438869033 /nfs/dbraw/zinc/86/90/33/438869033.db2.gz YMSRULUWYXSNNI-HNNXBMFYSA-N 1 2 344.481 0.398 20 30 ECEDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 ZINC000601404784 438877820 /nfs/dbraw/zinc/87/78/20/438877820.db2.gz FSANAEQDECIJNT-HOCLYGCPSA-N 1 2 335.429 0.796 20 30 ECEDLO C[N@H+]1CCO[C@H](CS(=O)(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 ZINC000601404784 438877824 /nfs/dbraw/zinc/87/78/24/438877824.db2.gz FSANAEQDECIJNT-HOCLYGCPSA-N 1 2 335.429 0.796 20 30 ECEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCc2c(cccc2C(N)=O)C1)C1CC1 ZINC000595902116 438880932 /nfs/dbraw/zinc/88/09/32/438880932.db2.gz GRDPTLXHOPJMCC-GOSISDBHSA-N 1 2 326.400 0.952 20 30 ECEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCc2c(cccc2C(N)=O)C1)C1CC1 ZINC000595902116 438880939 /nfs/dbraw/zinc/88/09/39/438880939.db2.gz GRDPTLXHOPJMCC-GOSISDBHSA-N 1 2 326.400 0.952 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)NCC2(CC#N)CC2)C1=O ZINC000516903837 438933565 /nfs/dbraw/zinc/93/35/65/438933565.db2.gz VZBZJNZOWNITPY-CYBMUJFWSA-N 1 2 344.419 0.904 20 30 ECEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000590598847 438937999 /nfs/dbraw/zinc/93/79/99/438937999.db2.gz CGVCFAPLABVMJL-UHFFFAOYSA-N 1 2 331.405 1.138 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCc2ccc(C#N)c(F)c2)CC1 ZINC000459131059 438947805 /nfs/dbraw/zinc/94/78/05/438947805.db2.gz WBBDHPHVCSBSFV-UHFFFAOYSA-N 1 2 347.394 0.788 20 30 ECEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1C#N ZINC000590758636 438955244 /nfs/dbraw/zinc/95/52/44/438955244.db2.gz WVJVFMBWLUPIJW-GASCZTMLSA-N 1 2 335.367 0.757 20 30 ECEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1C#N ZINC000590758636 438955246 /nfs/dbraw/zinc/95/52/46/438955246.db2.gz WVJVFMBWLUPIJW-GASCZTMLSA-N 1 2 335.367 0.757 20 30 ECEDLO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000565517087 438958362 /nfs/dbraw/zinc/95/83/62/438958362.db2.gz UMJBQRXMFQSIDY-LBPRGKRZSA-N 1 2 330.392 0.309 20 30 ECEDLO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1nn(C)cc1Br ZINC000579464930 439010643 /nfs/dbraw/zinc/01/06/43/439010643.db2.gz AQMBDUVSPUXDSZ-JTQLQIEISA-N 1 2 330.230 0.479 20 30 ECEDLO Cn1cc(Br)c(CNC[C@H](O)C[N@H+](C)CCC#N)n1 ZINC000579464930 439010649 /nfs/dbraw/zinc/01/06/49/439010649.db2.gz AQMBDUVSPUXDSZ-JTQLQIEISA-N 1 2 330.230 0.479 20 30 ECEDLO Cn1cc(Br)c(CNC[C@H](O)C[N@@H+](C)CCC#N)n1 ZINC000579464930 439010653 /nfs/dbraw/zinc/01/06/53/439010653.db2.gz AQMBDUVSPUXDSZ-JTQLQIEISA-N 1 2 330.230 0.479 20 30 ECEDLO CN(C)S(=O)(=O)c1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000591241719 438994099 /nfs/dbraw/zinc/99/40/99/438994099.db2.gz JULGUFCABBTLOR-ZDUSSCGKSA-N 1 2 341.433 0.522 20 30 ECEDLO CN(C)S(=O)(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000591241719 438994104 /nfs/dbraw/zinc/99/41/04/438994104.db2.gz JULGUFCABBTLOR-ZDUSSCGKSA-N 1 2 341.433 0.522 20 30 ECEDLO C=CCN(CC=C)C(=O)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000459804874 439001137 /nfs/dbraw/zinc/00/11/37/439001137.db2.gz DHPYYQKIDTZBBH-UHFFFAOYSA-N 1 2 331.420 0.265 20 30 ECEDLO CO[C@@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1c1c[nH]nn1 ZINC000591649532 439049521 /nfs/dbraw/zinc/04/95/21/439049521.db2.gz HQQQXZOZVXNQIY-DZGCQCFKSA-N 1 2 346.435 0.904 20 30 ECEDLO CO[C@@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1c1c[nH]nn1 ZINC000591649532 439049526 /nfs/dbraw/zinc/04/95/26/439049526.db2.gz HQQQXZOZVXNQIY-DZGCQCFKSA-N 1 2 346.435 0.904 20 30 ECEDLO C[C@@H](CC#N)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000597014208 439027535 /nfs/dbraw/zinc/02/75/35/439027535.db2.gz PJUYWNSRUBSGGS-AWEZNQCLSA-N 1 2 329.404 0.786 20 30 ECEDLO C[C@H]1Oc2ccccc2N(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)C1=O ZINC000567165378 439118211 /nfs/dbraw/zinc/11/82/11/439118211.db2.gz MEQCKGWLXGGHJA-PXAZEXFGSA-N 1 2 330.388 0.761 20 30 ECEDLO COc1nccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)n1 ZINC000567043275 439108616 /nfs/dbraw/zinc/10/86/16/439108616.db2.gz OMCKZQDUQLNOKW-UHFFFAOYSA-N 1 2 333.373 0.315 20 30 ECEDLO N#CCn1c(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)cc2ccccc21 ZINC000591833117 439085883 /nfs/dbraw/zinc/08/58/83/439085883.db2.gz GPIWWJXABFRTIC-OAHLLOKOSA-N 1 2 342.399 0.588 20 30 ECEDLO COc1ccnc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000567693486 439166970 /nfs/dbraw/zinc/16/69/70/439166970.db2.gz UEILZWQONOIQPR-UHFFFAOYSA-N 1 2 332.385 0.920 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000592192616 439173262 /nfs/dbraw/zinc/17/32/62/439173262.db2.gz CMJVITCEEWXOSH-UPJWGTAASA-N 1 2 349.412 0.581 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000592192616 439173266 /nfs/dbraw/zinc/17/32/66/439173266.db2.gz CMJVITCEEWXOSH-UPJWGTAASA-N 1 2 349.412 0.581 20 30 ECEDLO C[C@@H]1C[N@@H+](CC(=O)NC(=O)NCc2ccccc2)C[C@H](C)N1CC#N ZINC000602858450 439144081 /nfs/dbraw/zinc/14/40/81/439144081.db2.gz AZXJNNHVSPPXQM-GASCZTMLSA-N 1 2 343.431 0.931 20 30 ECEDLO C[C@@H]1C[N@H+](CC(=O)NC(=O)NCc2ccccc2)C[C@H](C)N1CC#N ZINC000602858450 439144085 /nfs/dbraw/zinc/14/40/85/439144085.db2.gz AZXJNNHVSPPXQM-GASCZTMLSA-N 1 2 343.431 0.931 20 30 ECEDLO N#Cc1cccc(OCc2cn(C[C@H](O)C[NH+]3CCOCC3)nn2)c1 ZINC000603256087 439219551 /nfs/dbraw/zinc/21/95/51/439219551.db2.gz DNJSKQLDTHHHLZ-MRXNPFEDSA-N 1 2 343.387 0.422 20 30 ECEDLO C[N@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)[C@H]1CCC[C@@H]1C#N ZINC000602982066 439175813 /nfs/dbraw/zinc/17/58/13/439175813.db2.gz MWVSCSUXQMIKAD-OCCSQVGLSA-N 1 2 342.465 0.151 20 30 ECEDLO C[N@@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)[C@H]1CCC[C@@H]1C#N ZINC000602982066 439175816 /nfs/dbraw/zinc/17/58/16/439175816.db2.gz MWVSCSUXQMIKAD-OCCSQVGLSA-N 1 2 342.465 0.151 20 30 ECEDLO CCN(CCC#N)C(=O)CN1CC[NH+](CCc2cnccn2)CC1 ZINC000602998589 439178792 /nfs/dbraw/zinc/17/87/92/439178792.db2.gz BPKPSNWGEYNAQB-UHFFFAOYSA-N 1 2 330.436 0.399 20 30 ECEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(CCc2cnccn2)CC1 ZINC000602998589 439178796 /nfs/dbraw/zinc/17/87/96/439178796.db2.gz BPKPSNWGEYNAQB-UHFFFAOYSA-N 1 2 330.436 0.399 20 30 ECEDLO CCOC(=O)[C@]1(C)C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000603001848 439180321 /nfs/dbraw/zinc/18/03/21/439180321.db2.gz UPBWMXLWLIDJQU-YJBOKZPZSA-N 1 2 348.399 0.952 20 30 ECEDLO CCOC(=O)[C@]1(C)C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000603001848 439180324 /nfs/dbraw/zinc/18/03/24/439180324.db2.gz UPBWMXLWLIDJQU-YJBOKZPZSA-N 1 2 348.399 0.952 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000592202215 439181518 /nfs/dbraw/zinc/18/15/18/439181518.db2.gz ZLTYHZICAGPHEC-LNSITVRQSA-N 1 2 331.372 0.741 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000592202215 439181521 /nfs/dbraw/zinc/18/15/21/439181521.db2.gz ZLTYHZICAGPHEC-LNSITVRQSA-N 1 2 331.372 0.741 20 30 ECEDLO N#Cc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000592285365 439192389 /nfs/dbraw/zinc/19/23/89/439192389.db2.gz OFHWTIHSESFLPB-CQSZACIVSA-N 1 2 343.387 0.215 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)N2CCC(C(=O)OCC)CC2)nn1 ZINC000603164671 439199995 /nfs/dbraw/zinc/19/99/95/439199995.db2.gz UPTMIRYXTQMDCG-UHFFFAOYSA-N 1 2 347.419 0.193 20 30 ECEDLO COCC[N@H+](C)Cc1cn(CC(=O)NC2(C#N)CCCCC2)nn1 ZINC000603177141 439203051 /nfs/dbraw/zinc/20/30/51/439203051.db2.gz RLTWGZJBZYOLDB-UHFFFAOYSA-N 1 2 334.424 0.699 20 30 ECEDLO COCC[N@@H+](C)Cc1cn(CC(=O)NC2(C#N)CCCCC2)nn1 ZINC000603177141 439203055 /nfs/dbraw/zinc/20/30/55/439203055.db2.gz RLTWGZJBZYOLDB-UHFFFAOYSA-N 1 2 334.424 0.699 20 30 ECEDLO Cn1ncc2c1nc(N1CCN(c3cnccc3C#N)CC1)[nH+]c2N ZINC000581583880 439230657 /nfs/dbraw/zinc/23/06/57/439230657.db2.gz FSTDXTOGOVHGQU-UHFFFAOYSA-N 1 2 335.375 0.539 20 30 ECEDLO C[C@H](C#N)N(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000598129029 439231316 /nfs/dbraw/zinc/23/13/16/439231316.db2.gz FCWSTIBGUMBZJQ-ZIAGYGMSSA-N 1 2 334.420 0.070 20 30 ECEDLO C=CCCCS(=O)(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000489637175 439237430 /nfs/dbraw/zinc/23/74/30/439237430.db2.gz ZBTYFYWRDNOYKL-ZDUSSCGKSA-N 1 2 340.449 0.797 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000527049127 439251138 /nfs/dbraw/zinc/25/11/38/439251138.db2.gz QTYORMZCPJUYSZ-AWEZNQCLSA-N 1 2 330.436 0.489 20 30 ECEDLO N#Cc1ccc(NCC(=O)N(CC[NH+]2CCOCC2)CC2CC2)nc1 ZINC000598342003 439254331 /nfs/dbraw/zinc/25/43/31/439254331.db2.gz AYPBXYSZZCQUPQ-UHFFFAOYSA-N 1 2 343.431 0.936 20 30 ECEDLO Cc1nc(N2CCN(c3nccnc3C#N)C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000490087236 439255188 /nfs/dbraw/zinc/25/51/88/439255188.db2.gz ZBNFAGIFAMHQJF-NSHDSACASA-N 1 2 339.407 0.623 20 30 ECEDLO Cc1nc(N(C)C)nc(N2CCN(c3nccnc3C#N)C[C@@H]2C)[nH+]1 ZINC000490087236 439255191 /nfs/dbraw/zinc/25/51/91/439255191.db2.gz ZBNFAGIFAMHQJF-NSHDSACASA-N 1 2 339.407 0.623 20 30 ECEDLO C#CCN(C(=O)NCc1ccn2cc[nH+]c2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000490925028 439312763 /nfs/dbraw/zinc/31/27/63/439312763.db2.gz SZFHYPICFWNZRY-CQSZACIVSA-N 1 2 346.412 0.666 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](CN2C(=O)c3cccc(N)c3C2=O)CC1 ZINC000491066304 439326937 /nfs/dbraw/zinc/32/69/37/439326937.db2.gz BSCWNMKXQZWKPU-UHFFFAOYSA-N 1 2 340.383 0.284 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 ZINC000490712798 439289319 /nfs/dbraw/zinc/28/93/19/439289319.db2.gz GWJJCFWHZDOCBQ-UONOGXRCSA-N 1 2 349.435 0.423 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2cc(C(=O)N(C)C)ccc2C)CC1 ZINC000490763404 439296925 /nfs/dbraw/zinc/29/69/25/439296925.db2.gz RAOFKQBKQIXKMV-UHFFFAOYSA-N 1 2 343.427 0.853 20 30 ECEDLO C#CC[N@@H+](C[C@@H](O)COCc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000490852665 439306088 /nfs/dbraw/zinc/30/60/88/439306088.db2.gz MJPDOAQZKQUYNY-UONOGXRCSA-N 1 2 343.470 0.748 20 30 ECEDLO C#CC[N@H+](C[C@@H](O)COCc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000490852665 439306092 /nfs/dbraw/zinc/30/60/92/439306092.db2.gz MJPDOAQZKQUYNY-UONOGXRCSA-N 1 2 343.470 0.748 20 30 ECEDLO C#CCNC(=O)C1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000491155565 439339242 /nfs/dbraw/zinc/33/92/42/439339242.db2.gz SPLDVKVSKYXPNX-UHFFFAOYSA-N 1 2 345.472 0.996 20 30 ECEDLO C#CCNC(=O)C1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000491155565 439339247 /nfs/dbraw/zinc/33/92/47/439339247.db2.gz SPLDVKVSKYXPNX-UHFFFAOYSA-N 1 2 345.472 0.996 20 30 ECEDLO Cn1c2[nH]c(C[NH+]3CCC(CCC#N)CC3)nc2c(=O)n(C)c1=O ZINC000582543774 439348143 /nfs/dbraw/zinc/34/81/43/439348143.db2.gz HRTLUPOEUULFEG-UHFFFAOYSA-N 1 2 330.392 0.476 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000491210806 439349939 /nfs/dbraw/zinc/34/99/39/439349939.db2.gz ZBBDVCZGLPTERI-UHFFFAOYSA-N 1 2 340.349 0.967 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000491210806 439349944 /nfs/dbraw/zinc/34/99/44/439349944.db2.gz ZBBDVCZGLPTERI-UHFFFAOYSA-N 1 2 340.349 0.967 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CC(=O)N(C(C)C)C2CCCC2)CC1 ZINC000491210465 439350233 /nfs/dbraw/zinc/35/02/33/439350233.db2.gz UXYMLEDTVMVLJM-UHFFFAOYSA-N 1 2 348.491 0.533 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000582561494 439351503 /nfs/dbraw/zinc/35/15/03/439351503.db2.gz QAOXAANYGPHKFC-CABCVRRESA-N 1 2 334.420 0.877 20 30 ECEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000599195215 439378932 /nfs/dbraw/zinc/37/89/32/439378932.db2.gz UCIBWDKHFMIVNV-MRXNPFEDSA-N 1 2 343.431 0.720 20 30 ECEDLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000599195215 439378937 /nfs/dbraw/zinc/37/89/37/439378937.db2.gz UCIBWDKHFMIVNV-MRXNPFEDSA-N 1 2 343.431 0.720 20 30 ECEDLO CCOCC[NH+]1CCN(S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593542951 439399485 /nfs/dbraw/zinc/39/94/85/439399485.db2.gz WVVWWWXWJMDZJO-UHFFFAOYSA-N 1 2 329.447 0.963 20 30 ECEDLO CC[C@H](C#N)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000593442256 439383749 /nfs/dbraw/zinc/38/37/49/439383749.db2.gz QFQZEIIOVPGNHL-CQSZACIVSA-N 1 2 329.404 0.786 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)Cc2ccc(CC#N)cc2)CC[N@@H+]1CCO ZINC000570039459 439385187 /nfs/dbraw/zinc/38/51/87/439385187.db2.gz WBQOUHQFMAPTEF-AWEZNQCLSA-N 1 2 337.445 0.581 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)Cc2ccc(CC#N)cc2)CC[N@H+]1CCO ZINC000570039459 439385192 /nfs/dbraw/zinc/38/51/92/439385192.db2.gz WBQOUHQFMAPTEF-AWEZNQCLSA-N 1 2 337.445 0.581 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2cncc(C#N)n2)CC1 ZINC000582841911 439386491 /nfs/dbraw/zinc/38/64/91/439386491.db2.gz LZABIUKPNVUUPT-ZDUSSCGKSA-N 1 2 332.408 0.011 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(OCCOC)cc2)CC1 ZINC000491615133 439410447 /nfs/dbraw/zinc/41/04/47/439410447.db2.gz BFTAOYWHAJJCMC-UHFFFAOYSA-N 1 2 332.400 0.868 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccsc2C#N)[C@H](C)C1 ZINC000593579059 439412874 /nfs/dbraw/zinc/41/28/74/439412874.db2.gz RILMYOHSVKQHRQ-MNOVXSKESA-N 1 2 329.447 0.695 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccsc2C#N)[C@H](C)C1 ZINC000593579059 439412878 /nfs/dbraw/zinc/41/28/78/439412878.db2.gz RILMYOHSVKQHRQ-MNOVXSKESA-N 1 2 329.447 0.695 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2ccnc(C)n2)CC1 ZINC000491639501 439416838 /nfs/dbraw/zinc/41/68/38/439416838.db2.gz ZGIDFYSXAHCBBG-UHFFFAOYSA-N 1 2 343.431 0.001 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2ccnc(C)n2)CC1 ZINC000491639501 439416841 /nfs/dbraw/zinc/41/68/41/439416841.db2.gz ZGIDFYSXAHCBBG-UHFFFAOYSA-N 1 2 343.431 0.001 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)Oc2ccccn2)CC1 ZINC000491672400 439423706 /nfs/dbraw/zinc/42/37/06/439423706.db2.gz PDFZUBZBJHZDAQ-HNNXBMFYSA-N 1 2 344.415 0.133 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)Oc2ccccn2)CC1 ZINC000491672400 439423711 /nfs/dbraw/zinc/42/37/11/439423711.db2.gz PDFZUBZBJHZDAQ-HNNXBMFYSA-N 1 2 344.415 0.133 20 30 ECEDLO N#Cc1cc(S(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)ccc1Cl ZINC000593650361 439436177 /nfs/dbraw/zinc/43/61/77/439436177.db2.gz ZAARJYUEBBSMCV-GFCCVEGCSA-N 1 2 341.820 0.651 20 30 ECEDLO N#Cc1cc(S(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)ccc1Cl ZINC000593650361 439436181 /nfs/dbraw/zinc/43/61/81/439436181.db2.gz ZAARJYUEBBSMCV-GFCCVEGCSA-N 1 2 341.820 0.651 20 30 ECEDLO Cc1nc(CN2CC[NH+](C[C@H](O)CC3(C#N)CCOCC3)CC2)n[nH]1 ZINC000599338305 439440144 /nfs/dbraw/zinc/44/01/44/439440144.db2.gz CKIUAVRNOZSVHQ-OAHLLOKOSA-N 1 2 348.451 0.302 20 30 ECEDLO C#C[C@@H]1COCCN1C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000491761128 439444679 /nfs/dbraw/zinc/44/46/79/439444679.db2.gz UQXZRTWSXZZJHF-GDBMZVCRSA-N 1 2 344.415 0.850 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000594024161 439510193 /nfs/dbraw/zinc/51/01/93/439510193.db2.gz DOAFBBIJKVJDJD-AWEZNQCLSA-N 1 2 330.454 0.008 20 30 ECEDLO CNC(=O)COc1cccc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000583568064 439482637 /nfs/dbraw/zinc/48/26/37/439482637.db2.gz VGZGWXHACDEZKK-QGZVFWFLSA-N 1 2 332.404 0.314 20 30 ECEDLO COCCOCC[NH+]1CCN(C(=O)C2(C#N)CCOCC2)CC1 ZINC000593886713 439487003 /nfs/dbraw/zinc/48/70/03/439487003.db2.gz NUEWMDWSQYKTSS-UHFFFAOYSA-N 1 2 325.409 0.114 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000599500286 439493190 /nfs/dbraw/zinc/49/31/90/439493190.db2.gz RKUCANBNKYSCTD-AWEZNQCLSA-N 1 2 344.481 0.509 20 30 ECEDLO N#Cc1ncccc1S(=O)(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000599501198 439493927 /nfs/dbraw/zinc/49/39/27/439493927.db2.gz XRMSFBODKGOMBE-UHFFFAOYSA-N 1 2 336.417 0.439 20 30 ECEDLO CCc1nc(CN2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)no1 ZINC000530335431 439499004 /nfs/dbraw/zinc/49/90/04/439499004.db2.gz HYSGFTIITPIROK-ZDUSSCGKSA-N 1 2 346.435 0.701 20 30 ECEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCN(c2nncn2C)CC1 ZINC000594021935 439509435 /nfs/dbraw/zinc/50/94/35/439509435.db2.gz BTQOPEFUSXXHBR-ZDUSSCGKSA-N 1 2 339.403 0.836 20 30 ECEDLO Cc1cc(NC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)nn1CCC#N ZINC000534348356 439529269 /nfs/dbraw/zinc/52/92/69/439529269.db2.gz QQOHKXFXOYVJMW-ZDUSSCGKSA-N 1 2 333.440 0.863 20 30 ECEDLO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N(CC#N)CC#N)CC1 ZINC000492409443 439534523 /nfs/dbraw/zinc/53/45/23/439534523.db2.gz BUYMTOKQMAUZKW-UHFFFAOYSA-N 1 2 335.408 0.805 20 30 ECEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000594420269 439557677 /nfs/dbraw/zinc/55/76/77/439557677.db2.gz KOGDNJZKJHWVPB-WMLDXEAASA-N 1 2 331.416 0.546 20 30 ECEDLO N#CCC1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000543842966 439563883 /nfs/dbraw/zinc/56/38/83/439563883.db2.gz SUSPXCWKNLRMCK-MRXNPFEDSA-N 1 2 348.447 0.319 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471497 439566160 /nfs/dbraw/zinc/56/61/60/439566160.db2.gz FQSSKSNXQCVFLP-TUVASFSCSA-N 1 2 346.497 0.800 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471497 439566165 /nfs/dbraw/zinc/56/61/65/439566165.db2.gz FQSSKSNXQCVFLP-TUVASFSCSA-N 1 2 346.497 0.800 20 30 ECEDLO C=CCSCCNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594621192 439583256 /nfs/dbraw/zinc/58/32/56/439583256.db2.gz RPUZKDYORONFBH-MELADBBJSA-N 1 2 343.493 0.636 20 30 ECEDLO C=CCSCCNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594621192 439583260 /nfs/dbraw/zinc/58/32/60/439583260.db2.gz RPUZKDYORONFBH-MELADBBJSA-N 1 2 343.493 0.636 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCc3[nH]c[nH+]c3C2)cc1 ZINC000599949729 439584302 /nfs/dbraw/zinc/58/43/02/439584302.db2.gz UVSHZRLXPLWSRE-UHFFFAOYSA-N 1 2 345.384 0.145 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCc3[nH+]c[nH]c3C2)cc1 ZINC000599949729 439584306 /nfs/dbraw/zinc/58/43/06/439584306.db2.gz UVSHZRLXPLWSRE-UHFFFAOYSA-N 1 2 345.384 0.145 20 30 ECEDLO COC(=O)C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000610605408 439631433 /nfs/dbraw/zinc/63/14/33/439631433.db2.gz JPEVMPILDFTZIH-DOTOQJQBSA-N 1 2 348.399 0.756 20 30 ECEDLO COC(=O)C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000610605408 439631436 /nfs/dbraw/zinc/63/14/36/439631436.db2.gz JPEVMPILDFTZIH-DOTOQJQBSA-N 1 2 348.399 0.756 20 30 ECEDLO CCN1C(=O)[C@@H]2C[N@@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CCN2C1=O ZINC000610616016 439631734 /nfs/dbraw/zinc/63/17/34/439631734.db2.gz BICDKBFUAGMORG-UONOGXRCSA-N 1 2 341.371 0.053 20 30 ECEDLO CCN1C(=O)[C@@H]2C[N@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CCN2C1=O ZINC000610616016 439631737 /nfs/dbraw/zinc/63/17/37/439631737.db2.gz BICDKBFUAGMORG-UONOGXRCSA-N 1 2 341.371 0.053 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2F)[C@@H](C)C[N@@H+]1CCO ZINC000573547772 439651155 /nfs/dbraw/zinc/65/11/55/439651155.db2.gz KUQALUGZEJEGLO-NEPJUHHUSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2F)[C@@H](C)C[N@H+]1CCO ZINC000573547772 439651158 /nfs/dbraw/zinc/65/11/58/439651158.db2.gz KUQALUGZEJEGLO-NEPJUHHUSA-N 1 2 341.408 0.773 20 30 ECEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000600419184 439654299 /nfs/dbraw/zinc/65/42/99/439654299.db2.gz FLXFGJIISJOLGC-HUUCEWRRSA-N 1 2 346.406 0.970 20 30 ECEDLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000600419184 439654303 /nfs/dbraw/zinc/65/43/03/439654303.db2.gz FLXFGJIISJOLGC-HUUCEWRRSA-N 1 2 346.406 0.970 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cc2F)CCO1 ZINC000610916790 439657407 /nfs/dbraw/zinc/65/74/07/439657407.db2.gz AOVFEVYRDHGXNZ-LLVKDONJSA-N 1 2 334.351 0.473 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cc2F)CCO1 ZINC000610916790 439657411 /nfs/dbraw/zinc/65/74/11/439657411.db2.gz AOVFEVYRDHGXNZ-LLVKDONJSA-N 1 2 334.351 0.473 20 30 ECEDLO C[C@@]1(C#N)CCN(C(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000595165267 439666225 /nfs/dbraw/zinc/66/62/25/439666225.db2.gz JVHVHWIFCJCKGB-PBHICJAKSA-N 1 2 328.372 0.823 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)C1(C#N)CCOCC1 ZINC000600231139 439626311 /nfs/dbraw/zinc/62/63/11/439626311.db2.gz FURLTCPDCDEWMX-QGZVFWFLSA-N 1 2 337.420 0.039 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)C1(C#N)CCOCC1 ZINC000600231139 439626313 /nfs/dbraw/zinc/62/63/13/439626313.db2.gz FURLTCPDCDEWMX-QGZVFWFLSA-N 1 2 337.420 0.039 20 30 ECEDLO Cn1c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c[nH]c1=O ZINC000600946231 439715915 /nfs/dbraw/zinc/71/59/15/439715915.db2.gz QOBZWWHOCZAABW-UHFFFAOYSA-N 1 2 325.372 0.955 20 30 ECEDLO COc1cncc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)n1 ZINC000600673856 439687316 /nfs/dbraw/zinc/68/73/16/439687316.db2.gz BENITXMGEHBFLS-UHFFFAOYSA-N 1 2 341.371 0.399 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)ccn1 ZINC000600682503 439688807 /nfs/dbraw/zinc/68/88/07/439688807.db2.gz NIBVNGGMKRWOFK-KRWDZBQOSA-N 1 2 337.383 0.979 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)ccn1 ZINC000600682503 439688811 /nfs/dbraw/zinc/68/88/11/439688811.db2.gz NIBVNGGMKRWOFK-KRWDZBQOSA-N 1 2 337.383 0.979 20 30 ECEDLO Cn1c(C#N)ccc1C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000600680420 439688880 /nfs/dbraw/zinc/68/88/80/439688880.db2.gz CGTDPFXDVFHINI-INIZCTEOSA-N 1 2 339.399 0.923 20 30 ECEDLO Cn1c(C#N)ccc1C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000600680420 439688883 /nfs/dbraw/zinc/68/88/83/439688883.db2.gz CGTDPFXDVFHINI-INIZCTEOSA-N 1 2 339.399 0.923 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000574209721 439690696 /nfs/dbraw/zinc/69/06/96/439690696.db2.gz FZQNDIMDJBHILY-AHIWAGSCSA-N 1 2 334.420 0.512 20 30 ECEDLO C=CCn1cc(C(=O)NCc2nc(C[NH+]3CCCCC3)no2)nn1 ZINC000614468287 439777417 /nfs/dbraw/zinc/77/74/17/439777417.db2.gz OVZUFPQHDBMUPG-UHFFFAOYSA-N 1 2 331.380 0.763 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)N1CC[C@@H]([N@H+](C)Cc2nccc(N)n2)C1 ZINC000614784158 439787034 /nfs/dbraw/zinc/78/70/34/439787034.db2.gz WSRWXJPWXOKQSA-CYBMUJFWSA-N 1 2 339.403 0.615 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)N1CC[C@@H]([N@@H+](C)Cc2nccc(N)n2)C1 ZINC000614784158 439787035 /nfs/dbraw/zinc/78/70/35/439787035.db2.gz WSRWXJPWXOKQSA-CYBMUJFWSA-N 1 2 339.403 0.615 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N2CC[C@](F)(C#N)C2)C1=O ZINC000615548749 439802224 /nfs/dbraw/zinc/80/22/24/439802224.db2.gz GFLYHZWCEXZKLQ-LRDDRELGSA-N 1 2 348.382 0.558 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc([C@@H]3CCO[C@@H]3C)n2C)CC1 ZINC000647356047 440042199 /nfs/dbraw/zinc/04/21/99/440042199.db2.gz HKZQINAXUPJSSR-ZIAGYGMSSA-N 1 2 348.451 0.132 20 30 ECEDLO C=CCCn1cc(CN2CC[NH+](CC(=O)N3CCCC3)CC2)nn1 ZINC000653480091 440191093 /nfs/dbraw/zinc/19/10/93/440191093.db2.gz SIFQLLVJLQGLRZ-UHFFFAOYSA-N 1 2 332.452 0.594 20 30 ECEDLO C=CCn1cc(CNC(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)nn1 ZINC000665183314 440432415 /nfs/dbraw/zinc/43/24/15/440432415.db2.gz XLWWSBGXIBUHIK-CYBMUJFWSA-N 1 2 347.423 0.757 20 30 ECEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000628575476 440505073 /nfs/dbraw/zinc/50/50/73/440505073.db2.gz JZOSTKPMUUTCPJ-FUHWJXTLSA-N 1 2 340.464 0.947 20 30 ECEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000628575476 440505079 /nfs/dbraw/zinc/50/50/79/440505079.db2.gz JZOSTKPMUUTCPJ-FUHWJXTLSA-N 1 2 340.464 0.947 20 30 ECEDLO C=CC[N@@H+](CCc1nnn(C(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 ZINC000660070865 440589301 /nfs/dbraw/zinc/58/93/01/440589301.db2.gz UBDQDFUALPELRA-LBPRGKRZSA-N 1 2 327.454 0.646 20 30 ECEDLO C=CC[N@H+](CCc1nnn(C(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 ZINC000660070865 440589306 /nfs/dbraw/zinc/58/93/06/440589306.db2.gz UBDQDFUALPELRA-LBPRGKRZSA-N 1 2 327.454 0.646 20 30 ECEDLO CC#CCN(C)S(=O)(=O)CCCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000656390578 440794410 /nfs/dbraw/zinc/79/44/10/440794410.db2.gz COHLCBJGGLOSTJ-UHFFFAOYSA-N 1 2 348.450 0.217 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2C[C@@H](C)C(=O)[C@H](C)C2)CC1 ZINC000661544463 440875424 /nfs/dbraw/zinc/87/54/24/440875424.db2.gz DQNZQWIDUZMAKV-BZUAXINKSA-N 1 2 334.464 0.836 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)N2CCO[C@H]3CCCC[C@H]32)nn1 ZINC000641001829 441044450 /nfs/dbraw/zinc/04/44/50/441044450.db2.gz NEBUGEOEPREHNH-CVEARBPZSA-N 1 2 331.420 0.561 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)NCC(=O)c2ccccc2)nn1 ZINC000641025723 441045699 /nfs/dbraw/zinc/04/56/99/441045699.db2.gz IAFBRFMGHVQVPW-UHFFFAOYSA-N 1 2 325.372 0.390 20 30 ECEDLO N#Cc1ccc(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)cc1O ZINC000563008736 322292830 /nfs/dbraw/zinc/29/28/30/322292830.db2.gz YJIFNTKTCZSTSG-UHFFFAOYSA-N 1 2 345.399 0.875 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1O ZINC001078008649 782125553 /nfs/dbraw/zinc/12/55/53/782125553.db2.gz OUYGXAHRGLAMCR-HUUCEWRRSA-N 1 2 345.428 0.257 20 30 ECEDLO Cn1cncc1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001078008649 782125557 /nfs/dbraw/zinc/12/55/57/782125557.db2.gz OUYGXAHRGLAMCR-HUUCEWRRSA-N 1 2 345.428 0.257 20 30 ECEDLO Cn1cncc1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001078008649 782125559 /nfs/dbraw/zinc/12/55/59/782125559.db2.gz OUYGXAHRGLAMCR-HUUCEWRRSA-N 1 2 345.428 0.257 20 30 ECEDLO CN1CC[N@H+](C)[C@H](CNC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)C1 ZINC000329388707 546022175 /nfs/dbraw/zinc/02/21/75/546022175.db2.gz UDQWKUQNPDVEGX-MGPQQGTHSA-N 1 2 336.436 0.364 20 30 ECEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)C1 ZINC000329388707 546022181 /nfs/dbraw/zinc/02/21/81/546022181.db2.gz UDQWKUQNPDVEGX-MGPQQGTHSA-N 1 2 336.436 0.364 20 30 ECEDLO NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)O1 ZINC000329973520 546037316 /nfs/dbraw/zinc/03/73/16/546037316.db2.gz YRWFDSWWQSRRKJ-XQQFMLRXSA-N 1 2 326.397 0.390 20 30 ECEDLO CC(C)CN1CCN(C(=O)NC[C@H](C)[NH+]2CCOCC2)[C@@H](C)C1=O ZINC000330175984 546040813 /nfs/dbraw/zinc/04/08/13/546040813.db2.gz JNSVNFGLOXBREA-GJZGRUSLSA-N 1 2 340.468 0.810 20 30 ECEDLO C[C@@H](C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)n1cnc(C#N)n1 ZINC000619593638 546344639 /nfs/dbraw/zinc/34/46/39/546344639.db2.gz RBBPCIITZXLPEF-KBPBESRZSA-N 1 2 332.408 0.424 20 30 ECEDLO C[C@@H](C(=O)NC(N)=O)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000619647532 546355079 /nfs/dbraw/zinc/35/50/79/546355079.db2.gz XHFJWXGNWWEMBE-SMDDNHRTSA-N 1 2 333.367 0.591 20 30 ECEDLO N#C[C@H]1CN(S(=O)(=O)NCC[NH+]2Cc3ccccc3C2)CCO1 ZINC000619708119 546359135 /nfs/dbraw/zinc/35/91/35/546359135.db2.gz APQZILCNKNBFLT-HNNXBMFYSA-N 1 2 336.417 0.061 20 30 ECEDLO C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)CC1 ZINC000623603623 546812055 /nfs/dbraw/zinc/81/20/55/546812055.db2.gz KXQGGQSRRYXKHP-OAHLLOKOSA-N 1 2 345.447 0.200 20 30 ECEDLO O=C(NO)c1ccc(CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)cc1 ZINC000671996392 548251696 /nfs/dbraw/zinc/25/16/96/548251696.db2.gz PGJXKOWUAUUTRN-INIZCTEOSA-N 1 2 347.415 0.923 20 30 ECEDLO O=C(NO)c1ccc(CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)cc1 ZINC000671996392 548251698 /nfs/dbraw/zinc/25/16/98/548251698.db2.gz PGJXKOWUAUUTRN-INIZCTEOSA-N 1 2 347.415 0.923 20 30 ECEDLO COCC#CCn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000677806562 548957548 /nfs/dbraw/zinc/95/75/48/548957548.db2.gz FLGPEEOWVOPVHG-INIZCTEOSA-N 1 2 327.388 0.896 20 30 ECEDLO COCC#CCn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000677806562 548957551 /nfs/dbraw/zinc/95/75/51/548957551.db2.gz FLGPEEOWVOPVHG-INIZCTEOSA-N 1 2 327.388 0.896 20 30 ECEDLO C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(N(C)C)cc[nH+]2)C1=O ZINC000680259398 549156393 /nfs/dbraw/zinc/15/63/93/549156393.db2.gz BSKXZXZPRVAJRR-UHFFFAOYSA-N 1 2 331.332 0.063 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](C[C@H]2COc3ccccc3O2)CC1 ZINC000680939470 549208907 /nfs/dbraw/zinc/20/89/07/549208907.db2.gz VYNRYGBAXQPMRU-HNNXBMFYSA-N 1 2 331.416 0.746 20 30 ECEDLO CC(CCO)N=Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000749855781 579344214 /nfs/dbraw/zinc/34/42/14/579344214.db2.gz UJDYSTTXQGMVOR-UHFFFAOYSA-N 1 2 340.449 0.793 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@H](O)C3CC3)CC2)cc1 ZINC000751417903 579367466 /nfs/dbraw/zinc/36/74/66/579367466.db2.gz KQSMJHKNHJGGJT-INIZCTEOSA-N 1 2 335.429 0.635 20 30 ECEDLO C[C@H]([C@H](C)Nc1cccc(S(N)(=O)=O)c1C#N)[NH+]1CCOCC1 ZINC000754993813 579427499 /nfs/dbraw/zinc/42/74/99/579427499.db2.gz QJNZKRRFTBBUGB-NWDGAFQWSA-N 1 2 338.433 0.727 20 30 ECEDLO CCn1cc[nH+]c1CN=Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000755465031 579433778 /nfs/dbraw/zinc/43/37/78/579433778.db2.gz CLXTZHALJMOFSO-UHFFFAOYSA-N 1 2 338.349 0.905 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000756884395 579456122 /nfs/dbraw/zinc/45/61/22/579456122.db2.gz IUJWLLMDHKBMCE-ILXRZTDVSA-N 1 2 346.431 0.959 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000756884395 579456123 /nfs/dbraw/zinc/45/61/23/579456123.db2.gz IUJWLLMDHKBMCE-ILXRZTDVSA-N 1 2 346.431 0.959 20 30 ECEDLO CCc1nnc(N2CC[NH+](CC[S@@](C)=O)CC2)c(C#N)c1CC ZINC000758463303 579473575 /nfs/dbraw/zinc/47/35/75/579473575.db2.gz FEUOVCCBDHGOAF-HSZRJFAPSA-N 1 2 335.477 0.974 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1 ZINC000730096805 578303296 /nfs/dbraw/zinc/30/32/96/578303296.db2.gz XERNPUINCWXZEG-HNNXBMFYSA-N 1 2 343.383 0.626 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1 ZINC000730096805 578303297 /nfs/dbraw/zinc/30/32/97/578303297.db2.gz XERNPUINCWXZEG-HNNXBMFYSA-N 1 2 343.383 0.626 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000730095516 578303309 /nfs/dbraw/zinc/30/33/09/578303309.db2.gz ISXQLJJNKPCJBD-HNNXBMFYSA-N 1 2 335.429 0.973 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000730095516 578303310 /nfs/dbraw/zinc/30/33/10/578303310.db2.gz ISXQLJJNKPCJBD-HNNXBMFYSA-N 1 2 335.429 0.973 20 30 ECEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N=NC3CCOC3)cc2)CC1 ZINC000731926866 578317542 /nfs/dbraw/zinc/31/75/42/578317542.db2.gz UGVDAKOMVKHWJE-UHFFFAOYSA-N 1 2 338.433 0.811 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCn2nc(C)cc2C)CC1 ZINC000733149666 578332761 /nfs/dbraw/zinc/33/27/61/578332761.db2.gz OFWVZMNRCWXPRK-UHFFFAOYSA-N 1 2 345.447 0.174 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCn2nc(C)cc2C)CC1 ZINC000733149666 578332762 /nfs/dbraw/zinc/33/27/62/578332762.db2.gz OFWVZMNRCWXPRK-UHFFFAOYSA-N 1 2 345.447 0.174 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000733160836 578333085 /nfs/dbraw/zinc/33/30/85/578333085.db2.gz AUQDAKNALVJMAV-INIZCTEOSA-N 1 2 329.375 0.956 20 30 ECEDLO N#C[C@@H](C(=O)C[N@H+]1CCC[C@H]1CO)c1nc2ccccc2c(=O)[nH]1 ZINC000735672064 578392403 /nfs/dbraw/zinc/39/24/03/578392403.db2.gz CQPSPEYEIQQMTO-AAEUAGOBSA-N 1 2 326.356 0.968 20 30 ECEDLO N#C[C@@H](C(=O)C[N@@H+]1CCC[C@H]1CO)c1nc2ccccc2c(=O)[nH]1 ZINC000735672064 578392404 /nfs/dbraw/zinc/39/24/04/578392404.db2.gz CQPSPEYEIQQMTO-AAEUAGOBSA-N 1 2 326.356 0.968 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(c3cnc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000737711146 578518878 /nfs/dbraw/zinc/51/88/78/578518878.db2.gz FDKUMDWECGBINA-UHFFFAOYSA-N 1 2 347.386 0.851 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@@H](CO)Cc3ccccc32)CC1 ZINC000794579936 578594163 /nfs/dbraw/zinc/59/41/63/578594163.db2.gz QDZJMKHEOBATIM-INIZCTEOSA-N 1 2 327.428 0.435 20 30 ECEDLO Cc1oc(C#N)cc1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000797868767 578635970 /nfs/dbraw/zinc/63/59/70/578635970.db2.gz ITKAKQJYILWLSO-UHFFFAOYSA-N 1 2 339.417 0.699 20 30 ECEDLO C#CCC[C@@H](O)CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000798347972 578644490 /nfs/dbraw/zinc/64/44/90/578644490.db2.gz NLWOMVUVIZOCOP-QZTJIDSGSA-N 1 2 345.443 0.961 20 30 ECEDLO C#CCC[C@@H](O)CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000798347972 578644491 /nfs/dbraw/zinc/64/44/91/578644491.db2.gz NLWOMVUVIZOCOP-QZTJIDSGSA-N 1 2 345.443 0.961 20 30 ECEDLO C=CCN1CC[C@@H](N(C)CN2C[C@H](c3c[nH+]cn3C)CC2=O)C1=O ZINC000799142513 578659227 /nfs/dbraw/zinc/65/92/27/578659227.db2.gz VIHYCMUKTPAIJV-ZIAGYGMSSA-N 1 2 331.420 0.412 20 30 ECEDLO C=C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)C(=O)OC ZINC000799978479 578672489 /nfs/dbraw/zinc/67/24/89/578672489.db2.gz HFLURQUGBDLWLA-VIFPVBQESA-N 1 2 330.328 0.618 20 30 ECEDLO N#Cc1ccc([C@H](O)C(=O)N2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000780949888 578703597 /nfs/dbraw/zinc/70/35/97/578703597.db2.gz OGXVLQJSSNPBNY-INIZCTEOSA-N 1 2 340.387 0.028 20 30 ECEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000780993433 578704225 /nfs/dbraw/zinc/70/42/25/578704225.db2.gz IOWBJZLYMNWHCM-UONOGXRCSA-N 1 2 328.328 0.215 20 30 ECEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000780993433 578704226 /nfs/dbraw/zinc/70/42/26/578704226.db2.gz IOWBJZLYMNWHCM-UONOGXRCSA-N 1 2 328.328 0.215 20 30 ECEDLO Cc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cn2)c(N(C)C)[nH+]1 ZINC000782130479 578720520 /nfs/dbraw/zinc/72/05/20/578720520.db2.gz FYMHQXYCKACJPL-UHFFFAOYSA-N 1 2 338.371 0.978 20 30 ECEDLO C=C(Cl)COC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000786992616 578798754 /nfs/dbraw/zinc/79/87/54/578798754.db2.gz HASMEPFCBPVKHB-CYBMUJFWSA-N 1 2 330.812 0.995 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2Cc3ccc(F)cc32)CC1 ZINC000793437433 578928003 /nfs/dbraw/zinc/92/80/03/578928003.db2.gz UYRBEASUSGLCSK-QGZVFWFLSA-N 1 2 343.402 0.749 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2Cc3ccc(F)cc32)CC1 ZINC000793437433 578928005 /nfs/dbraw/zinc/92/80/05/578928005.db2.gz UYRBEASUSGLCSK-QGZVFWFLSA-N 1 2 343.402 0.749 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](CCc2csc(C)n2)CC1 ZINC000767588087 579111852 /nfs/dbraw/zinc/11/18/52/579111852.db2.gz KUHIXYVNOUJFGD-UHFFFAOYSA-N 1 2 328.463 0.079 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[C@H](CNC(=O)OC(C)(C)C)OC)CC1 ZINC000767920422 579118812 /nfs/dbraw/zinc/11/88/12/579118812.db2.gz AMFDRPLBMTVLJB-CQSZACIVSA-N 1 2 339.436 0.694 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H](C)C(=O)N2CCC(C(=O)OCC)CC2)CC1 ZINC000776592887 579285411 /nfs/dbraw/zinc/28/54/11/579285411.db2.gz PCDWOTYWZDWUKQ-INIZCTEOSA-N 1 2 349.475 0.818 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](CCSc2ccccc2)CC1 ZINC000761032714 579519864 /nfs/dbraw/zinc/51/98/64/579519864.db2.gz LVRRIPJYOGWAAB-UHFFFAOYSA-N 1 2 339.486 0.864 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cccc(N(C)C)c2)CC1 ZINC000761038542 579519879 /nfs/dbraw/zinc/51/98/79/579519879.db2.gz WMXKTBPBZFONRV-UHFFFAOYSA-N 1 2 336.461 0.338 20 30 ECEDLO CS(=O)(=O)N1CCC(N=Nc2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000761857091 579532449 /nfs/dbraw/zinc/53/24/49/579532449.db2.gz HBGHCYUGEYOQNN-UHFFFAOYSA-N 1 2 335.393 0.486 20 30 ECEDLO N#CCCNC(=O)COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741383255 579772922 /nfs/dbraw/zinc/77/29/22/579772922.db2.gz UMGOFAQFIAAERQ-HNNXBMFYSA-N 1 2 331.372 0.460 20 30 ECEDLO N#CCCNC(=O)COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741383255 579772923 /nfs/dbraw/zinc/77/29/23/579772923.db2.gz UMGOFAQFIAAERQ-HNNXBMFYSA-N 1 2 331.372 0.460 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000742912471 579792968 /nfs/dbraw/zinc/79/29/68/579792968.db2.gz OGVFQZSHNCKXCX-SNPRPXQTSA-N 1 2 329.404 0.128 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000742912471 579792969 /nfs/dbraw/zinc/79/29/69/579792969.db2.gz OGVFQZSHNCKXCX-SNPRPXQTSA-N 1 2 329.404 0.128 20 30 ECEDLO CC1(C)C(=NNC(=S)NCC[NH+]2CCOCC2)[C@H]2CCCO[C@H]21 ZINC000743425832 579797815 /nfs/dbraw/zinc/79/78/15/579797815.db2.gz XYTNGZVBKMTRRQ-TZMCWYRMSA-N 1 2 340.493 0.974 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)CCCC)CC1 ZINC000744419195 579809402 /nfs/dbraw/zinc/80/94/02/579809402.db2.gz PXYFEDZCEAVIPS-HNNXBMFYSA-N 1 2 341.477 0.358 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H](C)NC(=O)c2[nH]nc3ccccc32)CC1 ZINC000746602758 579842084 /nfs/dbraw/zinc/84/20/84/579842084.db2.gz GILRJXXPFCKXHJ-ZDUSSCGKSA-N 1 2 339.399 0.459 20 30 ECEDLO COc1ccc(CNC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)cc1C#N ZINC000746725976 579843846 /nfs/dbraw/zinc/84/38/46/579843846.db2.gz RPRQAHHDARWNGE-HNNXBMFYSA-N 1 2 331.420 0.612 20 30 ECEDLO COc1ccc(CNC(=O)NC[C@H]2CN(C)CC[N@H+]2C)cc1C#N ZINC000746725976 579843848 /nfs/dbraw/zinc/84/38/48/579843848.db2.gz RPRQAHHDARWNGE-HNNXBMFYSA-N 1 2 331.420 0.612 20 30 ECEDLO CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000834458272 588901175 /nfs/dbraw/zinc/90/11/75/588901175.db2.gz XTJWENUBCVXTNF-ZDUSSCGKSA-N 1 2 327.344 0.096 20 30 ECEDLO NC(C[NH+]1CCSCC1)=NOCC(=O)NC(C1CC1)C1CC1 ZINC000121441427 588931925 /nfs/dbraw/zinc/93/19/25/588931925.db2.gz SGRZDBZDOPBOGX-UHFFFAOYSA-N 1 2 326.466 0.629 20 30 ECEDLO NC(C[NH+]1CCSCC1)=NOCc1nnnn1-c1ccccc1 ZINC000121496086 588983865 /nfs/dbraw/zinc/98/38/65/588983865.db2.gz BDMNCBRTJQXTMD-UHFFFAOYSA-N 1 2 333.421 0.500 20 30 ECEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)c1cc2n(n1)CCC2 ZINC000841606943 588996277 /nfs/dbraw/zinc/99/62/77/588996277.db2.gz OAJPUGSUTFGBNA-UHFFFAOYSA-N 1 2 336.465 0.350 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCCC3)CC2)c(CO)c1 ZINC000891556018 586176652 /nfs/dbraw/zinc/17/66/52/586176652.db2.gz TZGJZYIXRJTXCO-UHFFFAOYSA-N 1 2 328.416 0.795 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(OCC#N)c2)C1 ZINC000891607648 586181063 /nfs/dbraw/zinc/18/10/63/586181063.db2.gz PAPAYXAXWXWJRS-OAHLLOKOSA-N 1 2 340.383 0.741 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(OCC#N)c2)C1 ZINC000891607648 586181064 /nfs/dbraw/zinc/18/10/64/586181064.db2.gz PAPAYXAXWXWJRS-OAHLLOKOSA-N 1 2 340.383 0.741 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC)nc2OC)C1 ZINC000891607444 586181587 /nfs/dbraw/zinc/18/15/87/586181587.db2.gz TXTVAWFURLMLHU-LBPRGKRZSA-N 1 2 346.387 0.251 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC)nc2OC)C1 ZINC000891607444 586181588 /nfs/dbraw/zinc/18/15/88/586181588.db2.gz TXTVAWFURLMLHU-LBPRGKRZSA-N 1 2 346.387 0.251 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(OC(F)F)nn2)CC1 ZINC000891617332 586182171 /nfs/dbraw/zinc/18/21/71/586182171.db2.gz SVFGURSNXZXLHJ-UHFFFAOYSA-N 1 2 327.335 0.502 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc3c(c2)C[C@H](C)O3)CC1 ZINC000895917688 586212622 /nfs/dbraw/zinc/21/26/22/586212622.db2.gz HLYCSDTWKZLHAN-AWEZNQCLSA-N 1 2 349.456 0.595 20 30 ECEDLO C#CCSCC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000896170548 586224475 /nfs/dbraw/zinc/22/44/75/586224475.db2.gz PZIRQBCWGDSRGS-UHFFFAOYSA-N 1 2 346.456 0.766 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2CCC3(CCC3)O2)CC1 ZINC000896181388 586225024 /nfs/dbraw/zinc/22/50/24/586225024.db2.gz KLROHIQRPRKROK-MRXNPFEDSA-N 1 2 347.459 0.762 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H]2CCC3(CCC3)O2)CC1 ZINC000896181388 586225026 /nfs/dbraw/zinc/22/50/26/586225026.db2.gz KLROHIQRPRKROK-MRXNPFEDSA-N 1 2 347.459 0.762 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)/C=C/C(=O)NCc2ccc(OC)cc2)CC1 ZINC000900690299 586656507 /nfs/dbraw/zinc/65/65/07/586656507.db2.gz PRQIBKRNMGPLMC-CMDGGOBGSA-N 1 2 341.411 0.645 20 30 ECEDLO N#Cc1ccccc1N1CC[NH+]([C@H]2CC(=O)N(CCCO)C2=O)CC1 ZINC000840739806 586784575 /nfs/dbraw/zinc/78/45/75/586784575.db2.gz GMAPJXORLPLTKM-INIZCTEOSA-N 1 2 342.399 0.190 20 30 ECEDLO CSC[C@](C)(C#N)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000905539338 586898787 /nfs/dbraw/zinc/89/87/87/586898787.db2.gz DTPZJZQLNVQBQH-IPYPFGDCSA-N 1 2 327.450 0.628 20 30 ECEDLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000805479861 586911479 /nfs/dbraw/zinc/91/14/79/586911479.db2.gz VZVXFGFIMVONCA-HOTGVXAUSA-N 1 2 343.383 0.927 20 30 ECEDLO CC[N@H+]1CCO[C@H](C(=O)O[C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000805479861 586911482 /nfs/dbraw/zinc/91/14/82/586911482.db2.gz VZVXFGFIMVONCA-HOTGVXAUSA-N 1 2 343.383 0.927 20 30 ECEDLO CCCN(CCC)S(=O)(=O)N1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000801949901 587006415 /nfs/dbraw/zinc/00/64/15/587006415.db2.gz QNOHYASBQNUKKM-HNNXBMFYSA-N 1 2 346.497 0.899 20 30 ECEDLO CC(C)C(Cn1cccn1)=NNC(=S)NCC[NH+]1CCOCC1 ZINC000802705322 587024394 /nfs/dbraw/zinc/02/43/94/587024394.db2.gz YEZCEVWIWSWVFO-UHFFFAOYSA-N 1 2 338.481 0.691 20 30 ECEDLO CC(C)Nc1nc(NCc2ccc(C#N)cn2)nc(NCCO)[nH+]1 ZINC000804631012 587089138 /nfs/dbraw/zinc/08/91/38/587089138.db2.gz MOGNRWBMWDNIJJ-UHFFFAOYSA-N 1 2 328.380 0.975 20 30 ECEDLO CC(C)Nc1nc(NCCO)[nH+]c(NCc2ccc(C#N)cn2)n1 ZINC000804631012 587089140 /nfs/dbraw/zinc/08/91/40/587089140.db2.gz MOGNRWBMWDNIJJ-UHFFFAOYSA-N 1 2 328.380 0.975 20 30 ECEDLO CC(C)Nc1nc(NCCO)nc(NCc2ccc(C#N)cn2)[nH+]1 ZINC000804631012 587089141 /nfs/dbraw/zinc/08/91/41/587089141.db2.gz MOGNRWBMWDNIJJ-UHFFFAOYSA-N 1 2 328.380 0.975 20 30 ECEDLO CCO[C@@H]1CC(=NNC(=S)NCC[NH+]2CCOCC2)[C@@H]1SC ZINC000807947260 587140279 /nfs/dbraw/zinc/14/02/79/587140279.db2.gz NDWSIKTWBHIWKM-OLZOCXBDSA-N 1 2 346.522 0.679 20 30 ECEDLO CN(C)c1c(C=[NH+][N-]c2[nH]c3ccccc3[nH+]2)c(=O)n(C)c(=O)n1C ZINC000807945379 587140440 /nfs/dbraw/zinc/14/04/40/587140440.db2.gz AZDJRNRORRKMJE-UHFFFAOYSA-N 1 2 341.375 0.472 20 30 ECEDLO CC(C)(CNC(=O)COc1ccc(F)nc1C#N)[NH+]1CCOCC1 ZINC000808047078 587142814 /nfs/dbraw/zinc/14/28/14/587142814.db2.gz QILYEVRPZVVKSE-UHFFFAOYSA-N 1 2 336.367 0.698 20 30 ECEDLO C#CC[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000844002392 589088106 /nfs/dbraw/zinc/08/81/06/589088106.db2.gz WIEGFGJEOSXGDG-DLBZAZTESA-N 1 2 347.459 0.429 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)[C@@H]1CCCO1 ZINC000809307068 587173854 /nfs/dbraw/zinc/17/38/54/587173854.db2.gz YGDDCSHQQSOTAO-ILXRZTDVSA-N 1 2 344.415 0.423 20 30 ECEDLO C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3[nH]c[nH+]c3C2)c1 ZINC000816652645 587318079 /nfs/dbraw/zinc/31/80/79/587318079.db2.gz PGOJUILLODCIJG-UHFFFAOYSA-N 1 2 344.396 0.520 20 30 ECEDLO C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3[nH+]c[nH]c3C2)c1 ZINC000816652645 587318081 /nfs/dbraw/zinc/31/80/81/587318081.db2.gz PGOJUILLODCIJG-UHFFFAOYSA-N 1 2 344.396 0.520 20 30 ECEDLO Cc1c(Cl)c(C=NNC(=S)NCC[NH+]2CCOCC2)nn1C ZINC000817321817 587338563 /nfs/dbraw/zinc/33/85/63/587338563.db2.gz BKGHWGLONCZTJS-UHFFFAOYSA-N 1 2 344.872 0.512 20 30 ECEDLO N#Cc1ccc(C=NNC(=S)NCC[NH+]2CCOCC2)cc1F ZINC000817322319 587338623 /nfs/dbraw/zinc/33/86/23/587338623.db2.gz SHEZXCALQFCBOH-UHFFFAOYSA-N 1 2 335.408 0.828 20 30 ECEDLO C[NH+]1CCC([NH+]2CCC(NC(=O)[C@](C)(C#N)CC(=O)[O-])CC2)CC1 ZINC000820620978 587545068 /nfs/dbraw/zinc/54/50/68/587545068.db2.gz ZLZZXZBEIXVALL-KRWDZBQOSA-N 1 2 336.436 0.666 20 30 ECEDLO Cn1c(Cl)cnc1Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000821044786 587570726 /nfs/dbraw/zinc/57/07/26/587570726.db2.gz XOPKKORNKFHKPM-UHFFFAOYSA-N 1 2 347.806 0.987 20 30 ECEDLO C#CCN1C(=O)C[C@@H]([N@@H+]2CCc3c(cccc3NC(C)=O)C2)C1=O ZINC000821771918 587630029 /nfs/dbraw/zinc/63/00/29/587630029.db2.gz ULJKXPJUJZSGJO-MRXNPFEDSA-N 1 2 325.368 0.764 20 30 ECEDLO C#CCN1C(=O)C[C@@H]([N@H+]2CCc3c(cccc3NC(C)=O)C2)C1=O ZINC000821771918 587630030 /nfs/dbraw/zinc/63/00/30/587630030.db2.gz ULJKXPJUJZSGJO-MRXNPFEDSA-N 1 2 325.368 0.764 20 30 ECEDLO CON=C(C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1csc(N)n1 ZINC000822536168 587664706 /nfs/dbraw/zinc/66/47/06/587664706.db2.gz IGAZMSYLPRHVRG-JTQLQIEISA-N 1 2 341.437 0.255 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000823919326 587844192 /nfs/dbraw/zinc/84/41/92/587844192.db2.gz CBZXKPDQSHMBGP-UHFFFAOYSA-N 1 2 347.448 0.348 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(CC)cn2)CC1 ZINC000826553886 588070063 /nfs/dbraw/zinc/07/00/63/588070063.db2.gz GDIPWAJNQJNLFT-UHFFFAOYSA-N 1 2 342.443 0.470 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(CC)cn2)CC1 ZINC000826553886 588070065 /nfs/dbraw/zinc/07/00/65/588070065.db2.gz GDIPWAJNQJNLFT-UHFFFAOYSA-N 1 2 342.443 0.470 20 30 ECEDLO C[NH+]1CCN(C2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)CC1 ZINC000827445677 588120781 /nfs/dbraw/zinc/12/07/81/588120781.db2.gz VAXQEBLUBORCAU-GOSISDBHSA-N 1 2 342.443 0.830 20 30 ECEDLO C[S@](=O)CC[NH+]1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)CC1 ZINC000828522002 588186860 /nfs/dbraw/zinc/18/68/60/588186860.db2.gz DUGMHYDYZUBVHG-QHCPKHFHSA-N 1 2 341.383 0.973 20 30 ECEDLO C#C[C@@H](NC(=O)N1CC[NH+](CCOCCOC)CC1)[C@@H]1CCCO1 ZINC000845124246 589133331 /nfs/dbraw/zinc/13/33/31/589133331.db2.gz PGNRFEQQEVJJKK-CVEARBPZSA-N 1 2 339.436 0.157 20 30 ECEDLO N#Cc1cccnc1-n1cc(NC(=O)/C=C/C[NH+]2CCOCC2)cn1 ZINC000867424650 589203233 /nfs/dbraw/zinc/20/32/33/589203233.db2.gz QYBHUAZHOSQPNN-DUXPYHPUSA-N 1 2 338.371 0.966 20 30 ECEDLO C[NH+](C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccc2)NC1=O ZINC000106898502 589251714 /nfs/dbraw/zinc/25/17/14/589251714.db2.gz IIGTWWBONDRPND-AWEZNQCLSA-N 1 2 348.472 0.885 20 30 ECEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)NCC[NH+]1CCOCC1 ZINC000849227655 589323643 /nfs/dbraw/zinc/32/36/43/589323643.db2.gz MSKBQUJRDOZLOD-UHFFFAOYSA-N 1 2 325.409 0.305 20 30 ECEDLO CN1CC(=O)N(CC[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1=O ZINC000851881983 589431357 /nfs/dbraw/zinc/43/13/57/589431357.db2.gz RKZCZYDLAYZXGX-OAHLLOKOSA-N 1 2 328.372 0.826 20 30 ECEDLO CN1CC(=O)N(CC[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1=O ZINC000851881983 589431359 /nfs/dbraw/zinc/43/13/59/589431359.db2.gz RKZCZYDLAYZXGX-OAHLLOKOSA-N 1 2 328.372 0.826 20 30 ECEDLO CC(C)CN(CC(C)C)C(=O)CO[NH+]=C(N)CN1CCOCC1 ZINC000111181778 589538277 /nfs/dbraw/zinc/53/82/77/589538277.db2.gz UIUQUZXLWAMWAE-UHFFFAOYSA-N 1 2 328.457 0.748 20 30 ECEDLO C[C@H]1C[N@H+](CCNC(=O)NCCNc2ncccc2C#N)[C@@H](C)CO1 ZINC000853482807 589543748 /nfs/dbraw/zinc/54/37/48/589543748.db2.gz ZIMLSLFAHGVEFQ-KBPBESRZSA-N 1 2 346.435 0.774 20 30 ECEDLO C[C@H]1C[N@@H+](CCNC(=O)NCCNc2ncccc2C#N)[C@@H](C)CO1 ZINC000853482807 589543750 /nfs/dbraw/zinc/54/37/50/589543750.db2.gz ZIMLSLFAHGVEFQ-KBPBESRZSA-N 1 2 346.435 0.774 20 30 ECEDLO CCOC(Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O)OCC ZINC000853706897 589555690 /nfs/dbraw/zinc/55/56/90/589555690.db2.gz STDDOORVNBIPOW-UHFFFAOYSA-N 1 2 335.404 0.951 20 30 ECEDLO C[C@@H]1C[N@H+](CCNc2cccc(S(N)(=O)=O)c2C#N)[C@@H](C)CO1 ZINC000853800923 589559635 /nfs/dbraw/zinc/55/96/35/589559635.db2.gz ZOTOYIYHOZOLKW-NWDGAFQWSA-N 1 2 338.433 0.727 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNc2cccc(S(N)(=O)=O)c2C#N)[C@@H](C)CO1 ZINC000853800923 589559637 /nfs/dbraw/zinc/55/96/37/589559637.db2.gz ZOTOYIYHOZOLKW-NWDGAFQWSA-N 1 2 338.433 0.727 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1O ZINC000854452917 589586942 /nfs/dbraw/zinc/58/69/42/589586942.db2.gz BFJCAFCGIFIMOA-IHRRRGAJSA-N 1 2 344.415 0.964 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1O ZINC000854452917 589586944 /nfs/dbraw/zinc/58/69/44/589586944.db2.gz BFJCAFCGIFIMOA-IHRRRGAJSA-N 1 2 344.415 0.964 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)NCC)cc2)CC1 ZINC000112920754 589617458 /nfs/dbraw/zinc/61/74/58/589617458.db2.gz CBSHRPPLQXXDAG-UHFFFAOYSA-N 1 2 335.429 0.376 20 30 ECEDLO CCc1noc(C[C@]2(O)CCC[N@H+](CC(=O)NC3(C#N)CCC3)C2)n1 ZINC000856677734 589669975 /nfs/dbraw/zinc/66/99/75/589669975.db2.gz RTAZKQANEBZFRV-QGZVFWFLSA-N 1 2 347.419 0.564 20 30 ECEDLO CCc1noc(C[C@]2(O)CCC[N@@H+](CC(=O)NC3(C#N)CCC3)C2)n1 ZINC000856677734 589669976 /nfs/dbraw/zinc/66/99/76/589669976.db2.gz RTAZKQANEBZFRV-QGZVFWFLSA-N 1 2 347.419 0.564 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000857711425 589701806 /nfs/dbraw/zinc/70/18/06/589701806.db2.gz SQCZRWNSXZDDDZ-UHFFFAOYSA-N 1 2 345.359 0.494 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)C2(C(C)C)CC2)CC1 ZINC000866808931 589781150 /nfs/dbraw/zinc/78/11/50/589781150.db2.gz DDNSSNQAZYEWOZ-UHFFFAOYSA-N 1 2 341.477 0.262 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)C2(C(C)C)CC2)CC1 ZINC000866808931 589781152 /nfs/dbraw/zinc/78/11/52/589781152.db2.gz DDNSSNQAZYEWOZ-UHFFFAOYSA-N 1 2 341.477 0.262 20 30 ECEDLO C#CCCS(=O)(=O)N1Cc2ccc[nH+]c2N2C[C@@H](OC)C[C@@H]2C1 ZINC000867623359 589816898 /nfs/dbraw/zinc/81/68/98/589816898.db2.gz CCLFQPWTJLZYDZ-CABCVRRESA-N 1 2 335.429 0.844 20 30 ECEDLO C#CCOCCNC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000868496886 589910011 /nfs/dbraw/zinc/91/00/11/589910011.db2.gz NMLRBQGIADPVHZ-UHFFFAOYSA-N 1 2 339.436 0.742 20 30 ECEDLO C#CCOCCC(=O)NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000868939910 589935901 /nfs/dbraw/zinc/93/59/01/589935901.db2.gz CYOULAZSEJVQKT-UHFFFAOYSA-N 1 2 348.468 0.907 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)nc1 ZINC000862642129 589952297 /nfs/dbraw/zinc/95/22/97/589952297.db2.gz CSXGQASUZIXYMA-SFHVURJKSA-N 1 2 329.400 0.409 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)nc1 ZINC000862642129 589952298 /nfs/dbraw/zinc/95/22/98/589952298.db2.gz CSXGQASUZIXYMA-SFHVURJKSA-N 1 2 329.400 0.409 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)cn1 ZINC000862644449 589953350 /nfs/dbraw/zinc/95/33/50/589953350.db2.gz MCYNCOIJXHVEQJ-SFHVURJKSA-N 1 2 329.400 0.409 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)cn1 ZINC000862644449 589953353 /nfs/dbraw/zinc/95/33/53/589953353.db2.gz MCYNCOIJXHVEQJ-SFHVURJKSA-N 1 2 329.400 0.409 20 30 ECEDLO N#Cc1cc(O)cc(C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000870064488 589995418 /nfs/dbraw/zinc/99/54/18/589995418.db2.gz NJDPGPNBIXSHLY-INIZCTEOSA-N 1 2 331.372 0.437 20 30 ECEDLO N#Cc1ccc(CC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000870070827 589996911 /nfs/dbraw/zinc/99/69/11/589996911.db2.gz PYBWLQMATSCFAI-KRWDZBQOSA-N 1 2 329.400 0.660 20 30 ECEDLO COC(=O)[C@@]1(OC)CC[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000863298093 590000091 /nfs/dbraw/zinc/00/00/91/590000091.db2.gz QQQSOYKWNGHODJ-GOSISDBHSA-N 1 2 345.399 0.820 20 30 ECEDLO COC(=O)[C@@]1(OC)CC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000863298093 590000092 /nfs/dbraw/zinc/00/00/92/590000092.db2.gz QQQSOYKWNGHODJ-GOSISDBHSA-N 1 2 345.399 0.820 20 30 ECEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000863341936 590007032 /nfs/dbraw/zinc/00/70/32/590007032.db2.gz XLDPVIVXKOKKQB-ZDUSSCGKSA-N 1 2 338.433 0.247 20 30 ECEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000863341936 590007035 /nfs/dbraw/zinc/00/70/35/590007035.db2.gz XLDPVIVXKOKKQB-ZDUSSCGKSA-N 1 2 338.433 0.247 20 30 ECEDLO C#CCN1C(=O)C[C@H]([N@@H+]2C[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C2)C1=O ZINC000871602007 590082899 /nfs/dbraw/zinc/08/28/99/590082899.db2.gz OOQHWMUVOLTLNI-MXWKQRLJSA-N 1 2 346.305 0.421 20 30 ECEDLO C#CCN1C(=O)C[C@H]([N@H+]2C[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C2)C1=O ZINC000871602007 590082902 /nfs/dbraw/zinc/08/29/02/590082902.db2.gz OOQHWMUVOLTLNI-MXWKQRLJSA-N 1 2 346.305 0.421 20 30 ECEDLO N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000864640836 590090098 /nfs/dbraw/zinc/09/00/98/590090098.db2.gz ZWPQJZXDRPTFMM-HZPDHXFCSA-N 1 2 325.372 0.852 20 30 ECEDLO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000864638727 590090123 /nfs/dbraw/zinc/09/01/23/590090123.db2.gz GGKXLWYBYHBSAT-HZPDHXFCSA-N 1 2 343.362 0.991 20 30 ECEDLO Cc1noc2ncc(C=NNC(=S)NCC[NH+]3CCOCC3)cc12 ZINC000872329826 590114533 /nfs/dbraw/zinc/11/45/33/590114533.db2.gz ZOJKGUVSXPAFAO-UHFFFAOYSA-N 1 2 348.432 0.661 20 30 ECEDLO N#C[C@]1(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCCOC1 ZINC000864923963 590116752 /nfs/dbraw/zinc/11/67/52/590116752.db2.gz OWTHMEXKMLURLB-QGZVFWFLSA-N 1 2 344.419 0.035 20 30 ECEDLO N#Cc1ccc(N2CCN(C(=O)[C@@H](O)c3c[nH+]c[nH]3)CC2)c(F)c1 ZINC000865095092 590124652 /nfs/dbraw/zinc/12/46/52/590124652.db2.gz KOUCIFRZCRJFKK-HNNXBMFYSA-N 1 2 329.335 0.803 20 30 ECEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000874704702 590249406 /nfs/dbraw/zinc/24/94/06/590249406.db2.gz LYQWCANFRIXKSA-HNNXBMFYSA-N 1 2 330.384 0.994 20 30 ECEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000874704702 590249408 /nfs/dbraw/zinc/24/94/08/590249408.db2.gz LYQWCANFRIXKSA-HNNXBMFYSA-N 1 2 330.384 0.994 20 30 ECEDLO NC(=O)C1([NH2+]CC#Cc2ccc(Cl)cc2)CCS(=O)(=O)CC1 ZINC000879410734 590310060 /nfs/dbraw/zinc/31/00/60/590310060.db2.gz ABOITDWZRPOLBJ-UHFFFAOYSA-N 1 2 340.832 0.714 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000875595773 590311987 /nfs/dbraw/zinc/31/19/87/590311987.db2.gz CQRAEKVZYZITCD-NVXWUHKLSA-N 1 2 343.427 0.834 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000875595773 590311988 /nfs/dbraw/zinc/31/19/88/590311988.db2.gz CQRAEKVZYZITCD-NVXWUHKLSA-N 1 2 343.427 0.834 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000875598992 590312789 /nfs/dbraw/zinc/31/27/89/590312789.db2.gz MZWZJWLKNXUWKZ-OAGGEKHMSA-N 1 2 346.431 0.837 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000875600995 590313421 /nfs/dbraw/zinc/31/34/21/590313421.db2.gz GAPDSYMQZKZNQZ-ZBFHGGJFSA-N 1 2 329.400 0.444 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000875600995 590313423 /nfs/dbraw/zinc/31/34/23/590313423.db2.gz GAPDSYMQZKZNQZ-ZBFHGGJFSA-N 1 2 329.400 0.444 20 30 ECEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000879717689 590337397 /nfs/dbraw/zinc/33/73/97/590337397.db2.gz HPVUIOKBUJYYLP-WBVHZDCISA-N 1 2 345.399 0.925 20 30 ECEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000879717689 590337399 /nfs/dbraw/zinc/33/73/99/590337399.db2.gz HPVUIOKBUJYYLP-WBVHZDCISA-N 1 2 345.399 0.925 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000879757509 590341729 /nfs/dbraw/zinc/34/17/29/590341729.db2.gz CPMNLHOYLDYWLC-AWEZNQCLSA-N 1 2 338.452 0.967 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000879757509 590341731 /nfs/dbraw/zinc/34/17/31/590341731.db2.gz CPMNLHOYLDYWLC-AWEZNQCLSA-N 1 2 338.452 0.967 20 30 ECEDLO C#C[C@@H]1COCCN1C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000875886308 590342337 /nfs/dbraw/zinc/34/23/37/590342337.db2.gz JATQONNLUKCWNB-IAGOWNOFSA-N 1 2 344.415 0.326 20 30 ECEDLO C#C[C@@H]1COCCN1C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000875886308 590342340 /nfs/dbraw/zinc/34/23/40/590342340.db2.gz JATQONNLUKCWNB-IAGOWNOFSA-N 1 2 344.415 0.326 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000880017019 590361391 /nfs/dbraw/zinc/36/13/91/590361391.db2.gz ZGALCTDVGPXXCX-CWRNSKLLSA-N 1 2 341.477 0.751 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000880017019 590361393 /nfs/dbraw/zinc/36/13/93/590361393.db2.gz ZGALCTDVGPXXCX-CWRNSKLLSA-N 1 2 341.477 0.751 20 30 ECEDLO C#CCC1(O)CC[NH+](CCS(=O)(=O)CC(=O)OC(C)(C)C)CC1 ZINC000880484380 590395575 /nfs/dbraw/zinc/39/55/75/590395575.db2.gz WWLGGEXWIZQXBE-UHFFFAOYSA-N 1 2 345.461 0.593 20 30 ECEDLO N#CCC[N@H+](CCN1CCOCC1)C[C@@H](O)CC1(CO)CCCC1 ZINC000878159333 590502336 /nfs/dbraw/zinc/50/23/36/590502336.db2.gz IMSPHTLOZFIEJI-KRWDZBQOSA-N 1 2 339.480 0.838 20 30 ECEDLO N#CCC[N@@H+](CCN1CCOCC1)C[C@@H](O)CC1(CO)CCCC1 ZINC000878159333 590502338 /nfs/dbraw/zinc/50/23/38/590502338.db2.gz IMSPHTLOZFIEJI-KRWDZBQOSA-N 1 2 339.480 0.838 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@@H](O)CC1(CO)CCCC1 ZINC000878159333 590502341 /nfs/dbraw/zinc/50/23/41/590502341.db2.gz IMSPHTLOZFIEJI-KRWDZBQOSA-N 1 2 339.480 0.838 20 30 ECEDLO C=CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000878209455 590506374 /nfs/dbraw/zinc/50/63/74/590506374.db2.gz GFPPGIUGFQYNBQ-LLVKDONJSA-N 1 2 327.406 0.649 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2nc(-c3ccccn3)ccc2=O)CC1 ZINC000882237824 590530620 /nfs/dbraw/zinc/53/06/20/590530620.db2.gz QEMGMADFYOJBHT-UHFFFAOYSA-N 1 2 337.383 0.083 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc3[nH]c(=O)cnc3c2)C1 ZINC000885508853 590729407 /nfs/dbraw/zinc/72/94/07/590729407.db2.gz MUZAUFGKAMPLAJ-LBPRGKRZSA-N 1 2 346.412 0.299 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc3[nH]c(=O)cnc3c2)C1 ZINC000885508853 590729409 /nfs/dbraw/zinc/72/94/09/590729409.db2.gz MUZAUFGKAMPLAJ-LBPRGKRZSA-N 1 2 346.412 0.299 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)OC)C1 ZINC000885511570 590730470 /nfs/dbraw/zinc/73/04/70/590730470.db2.gz JYJDTXRYZURPBC-KKUMJFAQSA-N 1 2 342.461 0.735 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)OC)C1 ZINC000885511570 590730473 /nfs/dbraw/zinc/73/04/73/590730473.db2.gz JYJDTXRYZURPBC-KKUMJFAQSA-N 1 2 342.461 0.735 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000884399722 590820173 /nfs/dbraw/zinc/82/01/73/590820173.db2.gz MBWLMYIPCINLGY-LBPRGKRZSA-N 1 2 348.428 0.715 20 30 ECEDLO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886297473 590827118 /nfs/dbraw/zinc/82/71/18/590827118.db2.gz SFISVATWXABQJP-MGPQQGTHSA-N 1 2 338.404 0.858 20 30 ECEDLO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886297473 590827120 /nfs/dbraw/zinc/82/71/20/590827120.db2.gz SFISVATWXABQJP-MGPQQGTHSA-N 1 2 338.404 0.858 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCN(c2nc(N)[nH+]c(C3CC3)n2)CC1 ZINC000887622180 590984378 /nfs/dbraw/zinc/98/43/78/590984378.db2.gz KNCBZBZQHBXEMU-LLVKDONJSA-N 1 2 330.392 0.018 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCN(c2nc(N)nc(C3CC3)[nH+]2)CC1 ZINC000887622180 590984381 /nfs/dbraw/zinc/98/43/81/590984381.db2.gz KNCBZBZQHBXEMU-LLVKDONJSA-N 1 2 330.392 0.018 20 30 ECEDLO C#CC1(O)CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000931147694 611511580 /nfs/dbraw/zinc/51/15/80/611511580.db2.gz YMTOXQSUKVPQKI-UHFFFAOYSA-N 1 2 329.356 0.944 20 30 ECEDLO COC1(OC)CCOC[C@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000931672526 611564629 /nfs/dbraw/zinc/56/46/29/611564629.db2.gz WSDWIBNNHCFBMA-LLVKDONJSA-N 1 2 325.390 0.926 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](C3OCCO3)C2)nc1 ZINC000932001312 611591979 /nfs/dbraw/zinc/59/19/79/611591979.db2.gz XVXWOVNPSSGOFS-ZDUSSCGKSA-N 1 2 337.401 0.422 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](C3OCCO3)C2)nc1 ZINC000932001312 611591981 /nfs/dbraw/zinc/59/19/81/611591981.db2.gz XVXWOVNPSSGOFS-ZDUSSCGKSA-N 1 2 337.401 0.422 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc3c2OCC3)CC1 ZINC000932038094 611594074 /nfs/dbraw/zinc/59/40/74/611594074.db2.gz GULQCKLCFJPZFC-UHFFFAOYSA-N 1 2 341.411 0.519 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc3c2OCC3)CC1 ZINC000932038094 611594076 /nfs/dbraw/zinc/59/40/76/611594076.db2.gz GULQCKLCFJPZFC-UHFFFAOYSA-N 1 2 341.411 0.519 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@]23CCO[C@H]2CCCC3)CC1 ZINC000932039799 611594678 /nfs/dbraw/zinc/59/46/78/611594678.db2.gz XNQBGTXOUACFIH-QFBILLFUSA-N 1 2 347.459 0.619 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@]23CCO[C@H]2CCCC3)CC1 ZINC000932039799 611594679 /nfs/dbraw/zinc/59/46/79/611594679.db2.gz XNQBGTXOUACFIH-QFBILLFUSA-N 1 2 347.459 0.619 20 30 ECEDLO C#CC[C@H]1NC(=O)N(CC2([NH+]3CCOCC3)CC(OCC)C2)C1=O ZINC000927687589 611627455 /nfs/dbraw/zinc/62/74/55/611627455.db2.gz NCPRQADQOYCVOQ-XOYHFGRZSA-N 1 2 335.404 0.200 20 30 ECEDLO CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000937353470 608615504 /nfs/dbraw/zinc/61/55/04/608615504.db2.gz SHEPLVBGDNBGKA-HOTGVXAUSA-N 1 2 340.427 0.918 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1cn(C)nn1 ZINC000947205317 608919423 /nfs/dbraw/zinc/91/94/23/608919423.db2.gz OUONLBGVJGJPTF-DGCLKSJQSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1cn(C)nn1 ZINC000947205317 608919425 /nfs/dbraw/zinc/91/94/25/608919425.db2.gz OUONLBGVJGJPTF-DGCLKSJQSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1cn(C)nn1 ZINC000947217348 608960579 /nfs/dbraw/zinc/96/05/79/608960579.db2.gz MHNFSNMOLPFRLS-NWDGAFQWSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1cn(C)nn1 ZINC000947217348 608960581 /nfs/dbraw/zinc/96/05/81/608960581.db2.gz MHNFSNMOLPFRLS-NWDGAFQWSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000937842520 609116396 /nfs/dbraw/zinc/11/63/96/609116396.db2.gz YEFZRWQABSTMPI-AAEUAGOBSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000937842520 609116397 /nfs/dbraw/zinc/11/63/97/609116397.db2.gz YEFZRWQABSTMPI-AAEUAGOBSA-N 1 2 340.387 0.819 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cnn(C)n3)[C@@H](C)C2)nn1 ZINC000947792856 611693152 /nfs/dbraw/zinc/69/31/52/611693152.db2.gz UEQRSLOUERHZOD-STQMWFEESA-N 1 2 344.423 0.376 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(C)n3)[C@@H](C)C2)nn1 ZINC000947792856 611693154 /nfs/dbraw/zinc/69/31/54/611693154.db2.gz UEQRSLOUERHZOD-STQMWFEESA-N 1 2 344.423 0.376 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cnn(C)n3)[C@H](C)C2)nn1 ZINC000947792854 611693162 /nfs/dbraw/zinc/69/31/62/611693162.db2.gz UEQRSLOUERHZOD-OLZOCXBDSA-N 1 2 344.423 0.376 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(C)n3)[C@H](C)C2)nn1 ZINC000947792854 611693165 /nfs/dbraw/zinc/69/31/65/611693165.db2.gz UEQRSLOUERHZOD-OLZOCXBDSA-N 1 2 344.423 0.376 20 30 ECEDLO CN1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC[N@H+](C)CC1 ZINC000907789759 609622502 /nfs/dbraw/zinc/62/25/02/609622502.db2.gz KOUHVADXEJIUTD-UHFFFAOYSA-N 1 2 340.424 0.565 20 30 ECEDLO CN1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC[N@@H+](C)CC1 ZINC000907789759 609622504 /nfs/dbraw/zinc/62/25/04/609622504.db2.gz KOUHVADXEJIUTD-UHFFFAOYSA-N 1 2 340.424 0.565 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000921093137 609698109 /nfs/dbraw/zinc/69/81/09/609698109.db2.gz LDRZHUPIBWVLBL-JTQLQIEISA-N 1 2 331.467 0.773 20 30 ECEDLO C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@@H]1C ZINC000947825543 611709214 /nfs/dbraw/zinc/70/92/14/611709214.db2.gz RYHAWXFJVDOBOR-QWHCGFSZSA-N 1 2 344.419 0.616 20 30 ECEDLO C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@@H]1C ZINC000947825543 611709215 /nfs/dbraw/zinc/70/92/15/611709215.db2.gz RYHAWXFJVDOBOR-QWHCGFSZSA-N 1 2 344.419 0.616 20 30 ECEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000917220292 609964432 /nfs/dbraw/zinc/96/44/32/609964432.db2.gz BNLTVIGDODWQJB-OAGGEKHMSA-N 1 2 336.484 0.250 20 30 ECEDLO C=CC[N@@H+](CCCNC(=O)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000154364861 609970379 /nfs/dbraw/zinc/97/03/79/609970379.db2.gz QFMZPMAMDZJTAM-SNVBAGLBSA-N 1 2 328.356 0.730 20 30 ECEDLO C=CC[N@H+](CCCNC(=O)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000154364861 609970380 /nfs/dbraw/zinc/97/03/80/609970380.db2.gz QFMZPMAMDZJTAM-SNVBAGLBSA-N 1 2 328.356 0.730 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000939302666 610154818 /nfs/dbraw/zinc/15/48/18/610154818.db2.gz GMWOZXMNAKZLKI-GFCCVEGCSA-N 1 2 326.360 0.525 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000939304502 610155907 /nfs/dbraw/zinc/15/59/07/610155907.db2.gz XCOGQAMDPDKIOB-ZQIUZPCESA-N 1 2 346.431 0.993 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)[nH]1 ZINC000940063405 610199236 /nfs/dbraw/zinc/19/92/36/610199236.db2.gz ABXXFYFXRFULAC-CYBMUJFWSA-N 1 2 326.360 0.573 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)[nH]1 ZINC000940063405 610199237 /nfs/dbraw/zinc/19/92/37/610199237.db2.gz ABXXFYFXRFULAC-CYBMUJFWSA-N 1 2 326.360 0.573 20 30 ECEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000939522894 610226579 /nfs/dbraw/zinc/22/65/79/610226579.db2.gz FTTAAJSRMJKMLF-ZWNOBZJWSA-N 1 2 326.360 0.429 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3)C2)c1 ZINC000939563928 610238741 /nfs/dbraw/zinc/23/87/41/610238741.db2.gz AALRDINUTOIIIM-MRXNPFEDSA-N 1 2 337.383 0.633 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cn(C4CCC4)nn3)CC2)C1 ZINC000941413478 610302943 /nfs/dbraw/zinc/30/29/43/610302943.db2.gz ZWMKSNAEHHDFEL-UHFFFAOYSA-N 1 2 342.447 0.468 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3coc(OCC)n3)CC2)C1 ZINC000941474904 610331566 /nfs/dbraw/zinc/33/15/66/610331566.db2.gz DMKIGBZMLGHQAS-UHFFFAOYSA-N 1 2 332.404 0.539 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCc3cncc(OC)c3)CC2)C1 ZINC000941479843 610334979 /nfs/dbraw/zinc/33/49/79/610334979.db2.gz XTNBPZKWDFYTLB-UHFFFAOYSA-N 1 2 342.443 0.484 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)CC2)C1 ZINC000941479930 610335064 /nfs/dbraw/zinc/33/50/64/610335064.db2.gz BHOUUJFACMAEGX-QGZVFWFLSA-N 1 2 346.475 0.097 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3occ4c3CCOC4)CC2)C1 ZINC000941502356 610345554 /nfs/dbraw/zinc/34/55/54/610345554.db2.gz RFJLDSWPMHIMFJ-UHFFFAOYSA-N 1 2 343.427 0.818 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3c(F)cccc3F)CC2)C1 ZINC000941538175 610357806 /nfs/dbraw/zinc/35/78/06/610357806.db2.gz UZLDUFGNQXDIOT-UHFFFAOYSA-N 1 2 333.382 0.969 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnc4n3CCCC4)CC2)C1 ZINC000941532233 610364109 /nfs/dbraw/zinc/36/41/09/610364109.db2.gz TYLAJQXUGQFEEV-UHFFFAOYSA-N 1 2 341.459 0.685 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCN(C3C[NH+]([C@H](C)C(=O)N(C)C)C3)CC2)C1 ZINC000941559813 610382453 /nfs/dbraw/zinc/38/24/53/610382453.db2.gz NFUUWGOLGFQTPE-OAHLLOKOSA-N 1 2 348.491 0.648 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc4ncn(C)c4n3)CC2)C1 ZINC000941564569 610385014 /nfs/dbraw/zinc/38/50/14/610385014.db2.gz KIONISUNNVPIAP-UHFFFAOYSA-N 1 2 338.415 0.044 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnc(C(C)C)nc3C)CC2)C1 ZINC000941596987 610414158 /nfs/dbraw/zinc/41/41/58/610414158.db2.gz WFIBJQBJWFDUQX-UHFFFAOYSA-N 1 2 341.459 0.984 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccc(N(C)C)c3)CC2)C1 ZINC000941651015 610440917 /nfs/dbraw/zinc/44/09/17/610440917.db2.gz OFJAJUQNIWRAPT-UHFFFAOYSA-N 1 2 326.444 0.828 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(C(N)=O)cs3)CC2)C1 ZINC000941677692 610450328 /nfs/dbraw/zinc/45/03/28/610450328.db2.gz UCJRGPURTKVCOM-UHFFFAOYSA-N 1 2 346.456 0.312 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)COc3cccc(C)c3)CC2)C1 ZINC000941664913 610455966 /nfs/dbraw/zinc/45/59/66/610455966.db2.gz HOCWEBDLIXLBTF-UHFFFAOYSA-N 1 2 327.428 0.835 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccnc3N(C)C)CC2)C1 ZINC000941666261 610457748 /nfs/dbraw/zinc/45/77/48/610457748.db2.gz SCTZIJHJUONRLI-UHFFFAOYSA-N 1 2 327.432 0.223 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3csc4nccn34)CC2)C1 ZINC000941668223 610458636 /nfs/dbraw/zinc/45/86/36/610458636.db2.gz IDPQQJPKASOTMQ-UHFFFAOYSA-N 1 2 343.456 0.400 20 30 ECEDLO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)C(C)(C)C1 ZINC000941068221 610524434 /nfs/dbraw/zinc/52/44/34/610524434.db2.gz NLNKFPHPVHSKHA-KBPBESRZSA-N 1 2 326.462 0.661 20 30 ECEDLO C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)C(C)(C)C1 ZINC000941068221 610524435 /nfs/dbraw/zinc/52/44/35/610524435.db2.gz NLNKFPHPVHSKHA-KBPBESRZSA-N 1 2 326.462 0.661 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3ncnn3C)C[C@H]2C)c1 ZINC000942613720 610538287 /nfs/dbraw/zinc/53/82/87/610538287.db2.gz AGPNXOYYSWETJD-CJNGLKHVSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ncnn3C)C[C@H]2C)c1 ZINC000942613720 610538289 /nfs/dbraw/zinc/53/82/89/610538289.db2.gz AGPNXOYYSWETJD-CJNGLKHVSA-N 1 2 338.415 0.832 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3ncn[nH]3)C(C)(C)C2)C1=O ZINC000941110984 610542801 /nfs/dbraw/zinc/54/28/01/610542801.db2.gz NJHXWTOZFXAGKY-QWHCGFSZSA-N 1 2 346.435 0.422 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3ncn[nH]3)C(C)(C)C2)C1=O ZINC000941110984 610542802 /nfs/dbraw/zinc/54/28/02/610542802.db2.gz NJHXWTOZFXAGKY-QWHCGFSZSA-N 1 2 346.435 0.422 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3nc[nH]n3)C(C)(C)C2)C1=O ZINC000941110984 610542804 /nfs/dbraw/zinc/54/28/04/610542804.db2.gz NJHXWTOZFXAGKY-QWHCGFSZSA-N 1 2 346.435 0.422 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3nc[nH]n3)C(C)(C)C2)C1=O ZINC000941110984 610542806 /nfs/dbraw/zinc/54/28/06/610542806.db2.gz NJHXWTOZFXAGKY-QWHCGFSZSA-N 1 2 346.435 0.422 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@H]2CCCCN(C(=O)Cc3c[nH+]c[nH]3)C2)[nH]1 ZINC000943200951 610745301 /nfs/dbraw/zinc/74/53/01/610745301.db2.gz XFNXJJQVVPPCQN-ZDUSSCGKSA-N 1 2 340.387 0.963 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CCCN2C(=O)CCn2cc[nH+]c2)c[nH]1 ZINC000944162459 610760721 /nfs/dbraw/zinc/76/07/21/610760721.db2.gz RAJVBVGLDXAAPQ-OAHLLOKOSA-N 1 2 340.387 0.894 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nncn3C)C[C@H]2C)nc1 ZINC000944191677 610775385 /nfs/dbraw/zinc/77/53/85/610775385.db2.gz DGASRJPVZXJQPZ-HIFRSBDPSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nncn3C)C[C@H]2C)nc1 ZINC000944191677 610775387 /nfs/dbraw/zinc/77/53/87/610775387.db2.gz DGASRJPVZXJQPZ-HIFRSBDPSA-N 1 2 338.415 0.832 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CCN(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC000944414734 610857773 /nfs/dbraw/zinc/85/77/73/610857773.db2.gz LOLCYIIRNNJQNY-CQSZACIVSA-N 1 2 343.431 0.963 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnon3)C[C@@H]2C)nn1 ZINC000943499740 610884892 /nfs/dbraw/zinc/88/48/92/610884892.db2.gz UNSAQLBPNHKALT-GXTWGEPZSA-N 1 2 345.407 0.878 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cnon3)C[C@@H]2C)nn1 ZINC000943499740 610884893 /nfs/dbraw/zinc/88/48/93/610884893.db2.gz UNSAQLBPNHKALT-GXTWGEPZSA-N 1 2 345.407 0.878 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)CC1 ZINC000945031629 610887894 /nfs/dbraw/zinc/88/78/94/610887894.db2.gz XJHUPMQRMGIFEK-CQSZACIVSA-N 1 2 343.431 0.963 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2[C@H](CCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000945948104 611163822 /nfs/dbraw/zinc/16/38/22/611163822.db2.gz VCRQTCWVEJMFHO-CABCVRRESA-N 1 2 326.400 0.815 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC000945974032 611169648 /nfs/dbraw/zinc/16/96/48/611169648.db2.gz AFZYBSXOOJKCCC-CVEARBPZSA-N 1 2 326.400 0.746 20 30 ECEDLO N#CCN1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)CC[C@@H]2C1 ZINC000946899051 611240910 /nfs/dbraw/zinc/24/09/10/611240910.db2.gz ACGQHNGQHVXIDR-KSZLIROESA-N 1 2 346.475 0.791 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2sccc2S(N)(=O)=O)C1 ZINC000923556248 611262320 /nfs/dbraw/zinc/26/23/20/611262320.db2.gz WRSALBKBIARGCD-SNVBAGLBSA-N 1 2 327.431 0.223 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2S(N)(=O)=O)C1 ZINC000923556248 611262321 /nfs/dbraw/zinc/26/23/21/611262321.db2.gz WRSALBKBIARGCD-SNVBAGLBSA-N 1 2 327.431 0.223 20 30 ECEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000834543080 611291591 /nfs/dbraw/zinc/29/15/91/611291591.db2.gz MYRUPKVLPSXEEA-SJORKVTESA-N 1 2 349.475 0.721 20 30 ECEDLO N#Cc1ccc([C@@H]2C[N@H+](C[C@@H](O)C[C@]3(O)CCOC3)CCO2)cc1 ZINC000933632138 611736841 /nfs/dbraw/zinc/73/68/41/611736841.db2.gz OTYGABOQRYCTLP-OKZBNKHCSA-N 1 2 332.400 0.834 20 30 ECEDLO N#Cc1ccc([C@@H]2C[N@@H+](C[C@@H](O)C[C@]3(O)CCOC3)CCO2)cc1 ZINC000933632138 611736842 /nfs/dbraw/zinc/73/68/42/611736842.db2.gz OTYGABOQRYCTLP-OKZBNKHCSA-N 1 2 332.400 0.834 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cn(C4CCC4)nn3)CC2)C1 ZINC000949365979 611953576 /nfs/dbraw/zinc/95/35/76/611953576.db2.gz ODDZWFVJUYZCBI-UHFFFAOYSA-N 1 2 343.431 0.943 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cn(C4CCC4)nn3)CC2)C1 ZINC000949365979 611953577 /nfs/dbraw/zinc/95/35/77/611953577.db2.gz ODDZWFVJUYZCBI-UHFFFAOYSA-N 1 2 343.431 0.943 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)CC2)C1 ZINC000949378976 611957515 /nfs/dbraw/zinc/95/75/15/611957515.db2.gz IHJXVZHWPHFOPW-MRXNPFEDSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)CC2)C1 ZINC000949378976 611957517 /nfs/dbraw/zinc/95/75/17/611957517.db2.gz IHJXVZHWPHFOPW-MRXNPFEDSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CC(=O)N[C@H](CC)C3)CC2)C1 ZINC000949423494 611973691 /nfs/dbraw/zinc/97/36/91/611973691.db2.gz DQEFSSUGTMEXQI-JKSUJKDBSA-N 1 2 347.459 0.618 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC(=O)N[C@H](CC)C3)CC2)C1 ZINC000949423494 611973693 /nfs/dbraw/zinc/97/36/93/611973693.db2.gz DQEFSSUGTMEXQI-JKSUJKDBSA-N 1 2 347.459 0.618 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)C1 ZINC000949426957 611975160 /nfs/dbraw/zinc/97/51/60/611975160.db2.gz CNQDOZYQSWHYIV-YESZJQIVSA-N 1 2 348.443 0.365 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)C1 ZINC000949426957 611975162 /nfs/dbraw/zinc/97/51/62/611975162.db2.gz CNQDOZYQSWHYIV-YESZJQIVSA-N 1 2 348.443 0.365 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000949448727 611984480 /nfs/dbraw/zinc/98/44/80/611984480.db2.gz GUVQSGFJCUYZGL-SMDDNHRTSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000949448727 611984482 /nfs/dbraw/zinc/98/44/82/611984482.db2.gz GUVQSGFJCUYZGL-SMDDNHRTSA-N 1 2 340.387 0.819 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cc(COC)on3)CC2)C1 ZINC000949489909 612002998 /nfs/dbraw/zinc/00/29/98/612002998.db2.gz UWYXGWGIORSMBE-UHFFFAOYSA-N 1 2 333.388 0.761 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cc(COC)on3)CC2)C1 ZINC000949489909 612003001 /nfs/dbraw/zinc/00/30/01/612003001.db2.gz UWYXGWGIORSMBE-UHFFFAOYSA-N 1 2 333.388 0.761 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3c4c(nn3C)CCC4)CC2)C1 ZINC000949512043 612016015 /nfs/dbraw/zinc/01/60/15/612016015.db2.gz FHFVZGYQZNMIIK-UHFFFAOYSA-N 1 2 342.443 0.849 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3c4c(nn3C)CCC4)CC2)C1 ZINC000949512043 612016016 /nfs/dbraw/zinc/01/60/16/612016016.db2.gz FHFVZGYQZNMIIK-UHFFFAOYSA-N 1 2 342.443 0.849 20 30 ECEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCNC3=O)CC2)cc1 ZINC000949640203 612049082 /nfs/dbraw/zinc/04/90/82/612049082.db2.gz SDRDNELRSHBPNO-INIZCTEOSA-N 1 2 342.399 0.369 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC000951494494 612268940 /nfs/dbraw/zinc/26/89/40/612268940.db2.gz NAQWIRHUOUINSF-CQSZACIVSA-N 1 2 337.383 0.750 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC000951494493 612269079 /nfs/dbraw/zinc/26/90/79/612269079.db2.gz NAQWIRHUOUINSF-AWEZNQCLSA-N 1 2 337.383 0.750 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[NH+](CCc3ccnn3C)CC2)nn1 ZINC000951559849 612344738 /nfs/dbraw/zinc/34/47/38/612344738.db2.gz QTHUAGSDJHCDRE-UHFFFAOYSA-N 1 2 329.408 0.198 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[NH+](CCCN3CCCC3=O)CC2)nn1 ZINC000951563140 612347455 /nfs/dbraw/zinc/34/74/55/612347455.db2.gz GONLECUZBFMHKM-UHFFFAOYSA-N 1 2 346.435 0.234 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[NH+](CCc3ccnn3C)CC2)nn1 ZINC000951607255 612392896 /nfs/dbraw/zinc/39/28/96/612392896.db2.gz LGTUTBLFIVUFKB-UHFFFAOYSA-N 1 2 343.435 0.588 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000953992320 612529959 /nfs/dbraw/zinc/52/99/59/612529959.db2.gz PVYZOLVGQXYJIS-UHFFFAOYSA-N 1 2 340.387 0.535 20 30 ECEDLO C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000956842221 612615126 /nfs/dbraw/zinc/61/51/26/612615126.db2.gz APKJFGLUUYTRLC-INIZCTEOSA-N 1 2 326.360 0.573 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000951814559 612655195 /nfs/dbraw/zinc/65/51/95/612655195.db2.gz OCXQSCDYQBWJFV-LBPRGKRZSA-N 1 2 326.360 0.573 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC000951817080 612659266 /nfs/dbraw/zinc/65/92/66/612659266.db2.gz QCEFYGCEPJVASC-GFCCVEGCSA-N 1 2 343.391 0.151 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000954932612 612795703 /nfs/dbraw/zinc/79/57/03/612795703.db2.gz BWJIWUCAPVJMMQ-UHFFFAOYSA-N 1 2 326.360 0.443 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@H]([NH+]3CCN(C(=O)COC)CC3)C2)C1 ZINC000956577881 612916379 /nfs/dbraw/zinc/91/63/79/612916379.db2.gz JVJQDVWZFJFHHB-OAHLLOKOSA-N 1 2 335.448 0.734 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CC3(O)CCC3)CC2)C1 ZINC000956591567 612920862 /nfs/dbraw/zinc/92/08/62/612920862.db2.gz CDJSMRYFZYCBCM-HUUCEWRRSA-N 1 2 348.447 0.196 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[NH+]([C@@H]3CCN(C(C)=O)C3)CC2)c1 ZINC000956603598 612924218 /nfs/dbraw/zinc/92/42/18/612924218.db2.gz CSTAQMBXKAHODD-QGZVFWFLSA-N 1 2 326.400 0.442 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C(F)F)nn2C)[C@@H](n2ccnn2)C1 ZINC001069977706 790270591 /nfs/dbraw/zinc/27/05/91/790270591.db2.gz AGSUCAGKOUIIDW-YPMHNXCESA-N 1 2 349.345 0.238 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(F)F)nn2C)[C@@H](n2ccnn2)C1 ZINC001069977706 790270595 /nfs/dbraw/zinc/27/05/95/790270595.db2.gz AGSUCAGKOUIIDW-YPMHNXCESA-N 1 2 349.345 0.238 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC)C2)nn1 ZINC001098598155 738643032 /nfs/dbraw/zinc/64/30/32/738643032.db2.gz ANOLPKVRBBVZCB-GXTWGEPZSA-N 1 2 334.424 0.242 20 30 ECEDLO CN(C[C@H](O)CN(C)c1ncccc1C#N)C(=O)CCc1c[nH]c[nH+]1 ZINC001125322466 733008022 /nfs/dbraw/zinc/00/80/22/733008022.db2.gz ZNRICSLBIOMCKQ-HNNXBMFYSA-N 1 2 342.403 0.565 20 30 ECEDLO CN(C[C@H](O)CN(C)c1ncccc1C#N)C(=O)CCc1c[nH+]c[nH]1 ZINC001125322466 733008025 /nfs/dbraw/zinc/00/80/25/733008025.db2.gz ZNRICSLBIOMCKQ-HNNXBMFYSA-N 1 2 342.403 0.565 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3nccn4ccnc34)[C@H]2C1 ZINC001083197736 733056471 /nfs/dbraw/zinc/05/64/71/733056471.db2.gz HEMZLKYABNUOQA-UONOGXRCSA-N 1 2 325.372 0.278 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3nccn4ccnc34)[C@H]2C1 ZINC001083197736 733056472 /nfs/dbraw/zinc/05/64/72/733056472.db2.gz HEMZLKYABNUOQA-UONOGXRCSA-N 1 2 325.372 0.278 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+][C@@H](C)c3csnn3)C2)nn1 ZINC000970206254 733200784 /nfs/dbraw/zinc/20/07/84/733200784.db2.gz RRBACPHWGSSJGO-WDEREUQCSA-N 1 2 333.421 0.881 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC000970221173 733231431 /nfs/dbraw/zinc/23/14/31/733231431.db2.gz TZLWBAWAHWTIJX-IPYPFGDCSA-N 1 2 349.435 0.170 20 30 ECEDLO C[C@H](NC(=O)[C@H]1CNC(=O)N1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000970356855 733407083 /nfs/dbraw/zinc/40/70/83/733407083.db2.gz DWUCCCAPGKPUQU-ZUZCIYMTSA-N 1 2 345.378 0.315 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]2O)C1 ZINC000970395214 733462311 /nfs/dbraw/zinc/46/23/11/733462311.db2.gz UEKBSROPGDUOTB-OLZOCXBDSA-N 1 2 332.404 0.387 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC000970456851 733557428 /nfs/dbraw/zinc/55/74/28/733557428.db2.gz GJCHXTXJIHNJSF-VXGBXAGGSA-N 1 2 338.843 0.815 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC000970576903 733694029 /nfs/dbraw/zinc/69/40/29/733694029.db2.gz IHCVITKDFQFQDH-OAHLLOKOSA-N 1 2 339.399 0.023 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H](C)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC000970753474 733910043 /nfs/dbraw/zinc/91/00/43/733910043.db2.gz JMHXTOYHMKUJIH-NEPJUHHUSA-N 1 2 330.388 0.018 20 30 ECEDLO CC(C)N(CCN(C)c1ccnc(C#N)n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125439191 734072794 /nfs/dbraw/zinc/07/27/94/734072794.db2.gz KTURZSKKCFVFRD-CQSZACIVSA-N 1 2 346.435 0.352 20 30 ECEDLO CC(C)N(CCN(C)c1ccnc(C#N)n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125439191 734072796 /nfs/dbraw/zinc/07/27/96/734072796.db2.gz KTURZSKKCFVFRD-CQSZACIVSA-N 1 2 346.435 0.352 20 30 ECEDLO CC(C)N(CCN(C)c1cncc(C#N)n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125439837 734077769 /nfs/dbraw/zinc/07/77/69/734077769.db2.gz WFQCCJUIYHHRQY-OAHLLOKOSA-N 1 2 346.435 0.352 20 30 ECEDLO CC(C)N(CCN(C)c1cncc(C#N)n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125439837 734077774 /nfs/dbraw/zinc/07/77/74/734077774.db2.gz WFQCCJUIYHHRQY-OAHLLOKOSA-N 1 2 346.435 0.352 20 30 ECEDLO C=CCOCC(=O)NC[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)CCO1 ZINC001104310096 734206807 /nfs/dbraw/zinc/20/68/07/734206807.db2.gz OFJMBYWVARLXNR-OAHLLOKOSA-N 1 2 334.420 0.926 20 30 ECEDLO C=CCCOCC(=O)N1CCC[C@@H]([NH2+]Cc2nc(COC)no2)C1 ZINC001211354803 734274947 /nfs/dbraw/zinc/27/49/47/734274947.db2.gz HIQHGTQVYULHEI-CYBMUJFWSA-N 1 2 338.408 0.889 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000971219963 734370633 /nfs/dbraw/zinc/37/06/33/734370633.db2.gz ACKHSSNQXPQZID-DGCLKSJQSA-N 1 2 328.376 0.215 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000971219963 734370638 /nfs/dbraw/zinc/37/06/38/734370638.db2.gz ACKHSSNQXPQZID-DGCLKSJQSA-N 1 2 328.376 0.215 20 30 ECEDLO CC(C)(C(=O)N(CCO)CCNc1ccc(C#N)nn1)c1c[nH+]c[nH]1 ZINC001111489041 734402484 /nfs/dbraw/zinc/40/24/84/734402484.db2.gz GGLZURJJEHMZLS-UHFFFAOYSA-N 1 2 343.391 0.282 20 30 ECEDLO C#Cc1ccc(C(=O)N(CCO)CCNc2cc[nH+]c(C)n2)nc1 ZINC001111489294 734411266 /nfs/dbraw/zinc/41/12/66/734411266.db2.gz RTJBLAAHKAUIDN-UHFFFAOYSA-N 1 2 325.372 0.708 20 30 ECEDLO Cc1ccc(C#N)c(N2CCO[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001104349562 734521835 /nfs/dbraw/zinc/52/18/35/734521835.db2.gz IIQACCYLUNFAQP-HNNXBMFYSA-N 1 2 340.387 0.549 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC000971488694 734681968 /nfs/dbraw/zinc/68/19/68/734681968.db2.gz DPLVNEGFJVBYRA-SNVBAGLBSA-N 1 2 328.214 0.870 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC000971488694 734681969 /nfs/dbraw/zinc/68/19/69/734681969.db2.gz DPLVNEGFJVBYRA-SNVBAGLBSA-N 1 2 328.214 0.870 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3cc(F)ccc3OC)[C@H]2C1 ZINC001083230074 735273445 /nfs/dbraw/zinc/27/34/45/735273445.db2.gz GPNRKWAGYBSYGP-DOTOQJQBSA-N 1 2 332.375 0.922 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3cc(F)ccc3OC)[C@H]2C1 ZINC001083230074 735273448 /nfs/dbraw/zinc/27/34/48/735273448.db2.gz GPNRKWAGYBSYGP-DOTOQJQBSA-N 1 2 332.375 0.922 20 30 ECEDLO Cc1cc(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NCC#N)C3)on1 ZINC001111587682 735654323 /nfs/dbraw/zinc/65/43/23/735654323.db2.gz DFNZTZGJIWEXGZ-LRDDRELGSA-N 1 2 331.376 0.207 20 30 ECEDLO Cc1cc(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NCC#N)C3)on1 ZINC001111587682 735654328 /nfs/dbraw/zinc/65/43/28/735654328.db2.gz DFNZTZGJIWEXGZ-LRDDRELGSA-N 1 2 331.376 0.207 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3nccn4cc(C)nc34)[C@H]2C1 ZINC001083243132 735676130 /nfs/dbraw/zinc/67/61/30/735676130.db2.gz NFAYIBUZFRDNBC-UONOGXRCSA-N 1 2 325.372 0.196 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3nccn4cc(C)nc34)[C@H]2C1 ZINC001083243132 735676133 /nfs/dbraw/zinc/67/61/33/735676133.db2.gz NFAYIBUZFRDNBC-UONOGXRCSA-N 1 2 325.372 0.196 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)C2)C1 ZINC000972394698 736116362 /nfs/dbraw/zinc/11/63/62/736116362.db2.gz NZHFXRZEIPPKJD-QAPCUYQASA-N 1 2 335.448 0.733 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)C2)C1 ZINC000972394698 736116365 /nfs/dbraw/zinc/11/63/65/736116365.db2.gz NZHFXRZEIPPKJD-QAPCUYQASA-N 1 2 335.448 0.733 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4ncncc4C3)C2)C1 ZINC000972405159 736129374 /nfs/dbraw/zinc/12/93/74/736129374.db2.gz MGLZPOACOKVXOB-DNVCBOLYSA-N 1 2 340.427 0.518 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4ncncc4C3)C2)C1 ZINC000972405159 736129379 /nfs/dbraw/zinc/12/93/79/736129379.db2.gz MGLZPOACOKVXOB-DNVCBOLYSA-N 1 2 340.427 0.518 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(CC)CCNC3=O)C2)C1 ZINC000972423953 736170830 /nfs/dbraw/zinc/17/08/30/736170830.db2.gz WWAMLOMCMAGJRD-ROUUACIJSA-N 1 2 333.432 0.229 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(CC)CCNC3=O)C2)C1 ZINC000972423953 736170834 /nfs/dbraw/zinc/17/08/34/736170834.db2.gz WWAMLOMCMAGJRD-ROUUACIJSA-N 1 2 333.432 0.229 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCN(C)C3=O)C2)C1 ZINC000972426937 736172439 /nfs/dbraw/zinc/17/24/39/736172439.db2.gz XKLZVHIGEHAVBN-CRAIPNDOSA-N 1 2 333.432 0.181 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CCN(C)C3=O)C2)C1 ZINC000972426937 736172443 /nfs/dbraw/zinc/17/24/43/736172443.db2.gz XKLZVHIGEHAVBN-CRAIPNDOSA-N 1 2 333.432 0.181 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nccn4C3)C2)C1 ZINC000972442057 736205234 /nfs/dbraw/zinc/20/52/34/736205234.db2.gz YGROFXFOPLKINK-CRAIPNDOSA-N 1 2 330.432 0.935 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nccn4C3)C2)C1 ZINC000972442057 736205238 /nfs/dbraw/zinc/20/52/38/736205238.db2.gz YGROFXFOPLKINK-CRAIPNDOSA-N 1 2 330.432 0.935 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3COCCN3CC)C2)C1 ZINC000972442075 736205748 /nfs/dbraw/zinc/20/57/48/736205748.db2.gz YMGNFUGOZLFWEK-FUHWJXTLSA-N 1 2 335.448 0.034 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3COCCN3CC)C2)C1 ZINC000972442075 736205753 /nfs/dbraw/zinc/20/57/53/736205753.db2.gz YMGNFUGOZLFWEK-FUHWJXTLSA-N 1 2 335.448 0.034 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3c(C)nc[nH]c3=O)C2)C1 ZINC000972450359 736232120 /nfs/dbraw/zinc/23/21/20/736232120.db2.gz STYVDABUVRQOII-SFHVURJKSA-N 1 2 344.415 0.360 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccn(CCOC)n3)C2)C1 ZINC000972459581 736251754 /nfs/dbraw/zinc/25/17/54/736251754.db2.gz XJGKXSOLTGAGMB-QGZVFWFLSA-N 1 2 334.420 0.632 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccn(CCOC)n3)C2)C1 ZINC000972459581 736251756 /nfs/dbraw/zinc/25/17/56/736251756.db2.gz XJGKXSOLTGAGMB-QGZVFWFLSA-N 1 2 334.420 0.632 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCn3nc(C)cc3C)C2)C1 ZINC000972482832 736314280 /nfs/dbraw/zinc/31/42/80/736314280.db2.gz CTUOBTPJVUMJEK-SFHVURJKSA-N 1 2 330.432 0.827 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCn3nc(C)cc3C)C2)C1 ZINC000972482832 736314284 /nfs/dbraw/zinc/31/42/84/736314284.db2.gz CTUOBTPJVUMJEK-SFHVURJKSA-N 1 2 330.432 0.827 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccn4nnnc4c3)C2)C1 ZINC000972495257 736396357 /nfs/dbraw/zinc/39/63/57/736396357.db2.gz ZYSBDVXQYDHGBW-QGZVFWFLSA-N 1 2 340.387 0.065 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccn4nnnc4c3)C2)C1 ZINC000972495257 736396361 /nfs/dbraw/zinc/39/63/61/736396361.db2.gz ZYSBDVXQYDHGBW-QGZVFWFLSA-N 1 2 340.387 0.065 20 30 ECEDLO N#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC000972547134 736667649 /nfs/dbraw/zinc/66/76/49/736667649.db2.gz WCRQZWZMXXBKBJ-CXAGYDPISA-N 1 2 329.404 0.656 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3nnc4c3CCCC4)C2)C1 ZINC000972553237 736712681 /nfs/dbraw/zinc/71/26/81/736712681.db2.gz CGVWWYKWWTWUPS-SFHVURJKSA-N 1 2 343.431 0.093 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3nnc4c3CCCC4)C2)C1 ZINC000972553237 736712683 /nfs/dbraw/zinc/71/26/83/736712683.db2.gz CGVWWYKWWTWUPS-SFHVURJKSA-N 1 2 343.431 0.093 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC(=O)N(CCC)C3)C2)C1 ZINC000972574224 736890310 /nfs/dbraw/zinc/89/03/10/736890310.db2.gz XGRYZPDNEJJABT-YJBOKZPZSA-N 1 2 335.448 0.734 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC(=O)N(CCC)C3)C2)C1 ZINC000972574224 736890311 /nfs/dbraw/zinc/89/03/11/736890311.db2.gz XGRYZPDNEJJABT-YJBOKZPZSA-N 1 2 335.448 0.734 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC(=O)N(CCC)C3)C2)C1 ZINC000972574129 736896397 /nfs/dbraw/zinc/89/63/97/736896397.db2.gz WYVKVGFJPXUQBU-YJBOKZPZSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC(=O)N(CCC)C3)C2)C1 ZINC000972574129 736896402 /nfs/dbraw/zinc/89/64/02/736896402.db2.gz WYVKVGFJPXUQBU-YJBOKZPZSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC[C@@H](C)C3)C2)C1 ZINC000972585396 736969941 /nfs/dbraw/zinc/96/99/41/736969941.db2.gz LZCMOMLKYWRSLL-QAPCUYQASA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC[C@@H](C)C3)C2)C1 ZINC000972585396 736969946 /nfs/dbraw/zinc/96/99/46/736969946.db2.gz LZCMOMLKYWRSLL-QAPCUYQASA-N 1 2 333.432 0.181 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)N3CCCC3=O)C2)C1 ZINC000972633487 737178527 /nfs/dbraw/zinc/17/85/27/737178527.db2.gz FQSFGMFRFDQWOF-VQIMIIECSA-N 1 2 347.459 0.714 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)N3CCCC3=O)C2)C1 ZINC000972633487 737178531 /nfs/dbraw/zinc/17/85/31/737178531.db2.gz FQSFGMFRFDQWOF-VQIMIIECSA-N 1 2 347.459 0.714 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cnn(C)n3)C2)cn1 ZINC001023711224 737219375 /nfs/dbraw/zinc/21/93/75/737219375.db2.gz XPSDUUOEHDDVBX-CQSZACIVSA-N 1 2 338.415 0.833 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cnn(C)n3)C2)cn1 ZINC001023711224 737219377 /nfs/dbraw/zinc/21/93/77/737219377.db2.gz XPSDUUOEHDDVBX-CQSZACIVSA-N 1 2 338.415 0.833 20 30 ECEDLO CC#CCN1CCO[C@]2(CCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC000972660514 737273908 /nfs/dbraw/zinc/27/39/08/737273908.db2.gz UCSKKRPSVSOGIQ-GOSISDBHSA-N 1 2 330.432 0.679 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 ZINC000972683837 737373456 /nfs/dbraw/zinc/37/34/56/737373456.db2.gz PLBNROGRKFZFJA-HOCLYGCPSA-N 1 2 342.461 0.443 20 30 ECEDLO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 ZINC000972683837 737373461 /nfs/dbraw/zinc/37/34/61/737373461.db2.gz PLBNROGRKFZFJA-HOCLYGCPSA-N 1 2 342.461 0.443 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(OC)ncnc3OC)C2)C1 ZINC000972700220 737454404 /nfs/dbraw/zinc/45/44/04/737454404.db2.gz VIGLEMZQEKGFOJ-QGZVFWFLSA-N 1 2 348.403 0.597 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(OC)ncnc3OC)C2)C1 ZINC000972700220 737454408 /nfs/dbraw/zinc/45/44/08/737454408.db2.gz VIGLEMZQEKGFOJ-QGZVFWFLSA-N 1 2 348.403 0.597 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cnsn2)C1 ZINC001024022019 737626641 /nfs/dbraw/zinc/62/66/41/737626641.db2.gz ONTBOSBZTPBJRV-HOCLYGCPSA-N 1 2 347.488 0.964 20 30 ECEDLO C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001024656874 738203188 /nfs/dbraw/zinc/20/31/88/738203188.db2.gz RKQKTBPYSNLPDK-UTUOFQBUSA-N 1 2 344.253 0.987 20 30 ECEDLO C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001024656874 738203190 /nfs/dbraw/zinc/20/31/90/738203190.db2.gz RKQKTBPYSNLPDK-UTUOFQBUSA-N 1 2 344.253 0.987 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(C(=O)NC)c3)[C@H]2C1 ZINC001083280327 739261112 /nfs/dbraw/zinc/26/11/12/739261112.db2.gz NVYIBNBDNZBVHC-DLBZAZTESA-N 1 2 341.411 0.595 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(C(=O)NC)c3)[C@H]2C1 ZINC001083280327 739261116 /nfs/dbraw/zinc/26/11/16/739261116.db2.gz NVYIBNBDNZBVHC-DLBZAZTESA-N 1 2 341.411 0.595 20 30 ECEDLO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@H]1CCC[N@H+](Cc2nnnn2C)C1 ZINC001025383653 739336835 /nfs/dbraw/zinc/33/68/35/739336835.db2.gz XMJMEBPKUQXCFK-YPMHNXCESA-N 1 2 342.407 0.440 20 30 ECEDLO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@H]1CCC[N@@H+](Cc2nnnn2C)C1 ZINC001025383653 739336836 /nfs/dbraw/zinc/33/68/36/739336836.db2.gz XMJMEBPKUQXCFK-YPMHNXCESA-N 1 2 342.407 0.440 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[C@@]34CCOC4)C2)nn1 ZINC001105359724 751519730 /nfs/dbraw/zinc/51/97/30/751519730.db2.gz TXWPKNBIFDVRHF-NVXWUHKLSA-N 1 2 329.404 0.201 20 30 ECEDLO CN(C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)c1nccnc1C#N ZINC001058691756 740518716 /nfs/dbraw/zinc/51/87/16/740518716.db2.gz FISGYOBNNUTBRW-CQSZACIVSA-N 1 2 339.403 0.920 20 30 ECEDLO CN(C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)c1ccnc(C#N)n1 ZINC001058695145 740584216 /nfs/dbraw/zinc/58/42/16/740584216.db2.gz QWJALLMPVWSSIH-CYBMUJFWSA-N 1 2 339.403 0.989 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N(C)[C@H](C)CNc2ccnc(C#N)n2)c[nH+]1 ZINC001104864893 740751911 /nfs/dbraw/zinc/75/19/11/740751911.db2.gz SVJLCKCVMHGPSX-CYBMUJFWSA-N 1 2 341.419 0.969 20 30 ECEDLO COCC#CC[NH2+][C@@H]1CN(C(=O)c2cnc(C)[nH]2)C[C@H]1C(F)(F)F ZINC001112068159 741065076 /nfs/dbraw/zinc/06/50/76/741065076.db2.gz LTTIAKLOMIRFTO-DGCLKSJQSA-N 1 2 344.337 0.960 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnn(C)c3C)C2)nn1 ZINC001098615560 741092069 /nfs/dbraw/zinc/09/20/69/741092069.db2.gz VQZLWJLUMCARDU-HNNXBMFYSA-N 1 2 341.419 0.520 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[N@@H+](Cc3cc(C)ncn3)CC2)nn1 ZINC000982112892 751606148 /nfs/dbraw/zinc/60/61/48/751606148.db2.gz CMHUFHPWZUMAMA-UHFFFAOYSA-N 1 2 341.419 0.911 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[N@H+](Cc3cc(C)ncn3)CC2)nn1 ZINC000982112892 751606155 /nfs/dbraw/zinc/60/61/55/751606155.db2.gz CMHUFHPWZUMAMA-UHFFFAOYSA-N 1 2 341.419 0.911 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[N@@H+]([C@H](C)C(=O)N(C)C)CC2)nn1 ZINC000982117632 751611609 /nfs/dbraw/zinc/61/16/09/751611609.db2.gz FOUALCCNYNFPDP-CYBMUJFWSA-N 1 2 334.424 0.089 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[N@H+]([C@H](C)C(=O)N(C)C)CC2)nn1 ZINC000982117632 751611610 /nfs/dbraw/zinc/61/16/10/751611610.db2.gz FOUALCCNYNFPDP-CYBMUJFWSA-N 1 2 334.424 0.089 20 30 ECEDLO CN(CCCN(C)c1cncc(C#N)n1)C(=O)CCc1[nH]cc[nH+]1 ZINC001112075017 741236385 /nfs/dbraw/zinc/23/63/85/741236385.db2.gz GNXLCKDOCFAJTC-UHFFFAOYSA-N 1 2 327.392 0.989 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001078236481 782537843 /nfs/dbraw/zinc/53/78/43/782537843.db2.gz KTYGTFKTZVXEBA-ZIAGYGMSSA-N 1 2 325.372 0.270 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nnc2-c2ccccc2)C1 ZINC001078236481 782537853 /nfs/dbraw/zinc/53/78/53/782537853.db2.gz KTYGTFKTZVXEBA-ZIAGYGMSSA-N 1 2 325.372 0.270 20 30 ECEDLO C=CCCOCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnn(C)n2)C1 ZINC001105085206 741323346 /nfs/dbraw/zinc/32/33/46/741323346.db2.gz FEEAUXGRTBVPOA-ZIAGYGMSSA-N 1 2 336.440 0.377 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000982134640 751631278 /nfs/dbraw/zinc/63/12/78/751631278.db2.gz BVVPMTOQPQJIHG-RDJZCZTQSA-N 1 2 337.464 0.980 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000982134640 751631280 /nfs/dbraw/zinc/63/12/80/751631280.db2.gz BVVPMTOQPQJIHG-RDJZCZTQSA-N 1 2 337.464 0.980 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC(n2cc(C[NH2+]C/C=C/Cl)nn2)C1 ZINC001105223896 741501664 /nfs/dbraw/zinc/50/16/64/741501664.db2.gz NQMPXJDRXBZTQG-MBVDDHJVSA-N 1 2 339.827 0.831 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@H](Nc1[nH+]cnc2c1cnn2C)C(C)C ZINC001105224276 741504788 /nfs/dbraw/zinc/50/47/88/741504788.db2.gz BZGONNJLSJBBCG-OCCSQVGLSA-N 1 2 344.419 0.954 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)C(C)=C3CCC3)C2)nn1 ZINC001105233261 741519963 /nfs/dbraw/zinc/51/99/63/741519963.db2.gz QLUMBCBVETYVFU-UHFFFAOYSA-N 1 2 343.431 0.901 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CC(=C)C)nn2)C1 ZINC001105262133 741587964 /nfs/dbraw/zinc/58/79/64/741587964.db2.gz IPNRRVQHFKJBFO-KRWDZBQOSA-N 1 2 342.447 0.425 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CC(=C)C)nn2)C1 ZINC001105262133 741587968 /nfs/dbraw/zinc/58/79/68/741587968.db2.gz IPNRRVQHFKJBFO-KRWDZBQOSA-N 1 2 342.447 0.425 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn4ccc(C)cc34)C2)nn1 ZINC001105264325 741599039 /nfs/dbraw/zinc/59/90/39/741599039.db2.gz GANPEUYREILBTM-UHFFFAOYSA-N 1 2 349.398 0.654 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCn4nccc43)C2)nn1 ZINC001105272171 741617498 /nfs/dbraw/zinc/61/74/98/741617498.db2.gz BWPXIGIFUZHAGF-HNNXBMFYSA-N 1 2 339.403 0.158 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccc(F)cn3)C2)nn1 ZINC001105273039 741618358 /nfs/dbraw/zinc/61/83/58/741618358.db2.gz XLPOAVPGWZHAHF-UHFFFAOYSA-N 1 2 342.378 0.551 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cncc4[nH]ccc43)C2)nn1 ZINC001105278593 741633988 /nfs/dbraw/zinc/63/39/88/741633988.db2.gz MLRLFXGUPYGYSN-UHFFFAOYSA-N 1 2 335.371 0.574 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc4ccncc4n3)C2)nn1 ZINC001105285046 741644409 /nfs/dbraw/zinc/64/44/09/741644409.db2.gz BDWGTYVWOZOPKZ-UHFFFAOYSA-N 1 2 347.382 0.641 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(n2cc(C[NH2+][C@H](C)C(=O)NC)nn2)C1 ZINC001105296906 741673664 /nfs/dbraw/zinc/67/36/64/741673664.db2.gz BZXFOIMESLFVIU-LLVKDONJSA-N 1 2 334.424 0.098 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(n2cc(C[NH2+]CC(=O)NCC)nn2)C1 ZINC001105297558 741675031 /nfs/dbraw/zinc/67/50/31/741675031.db2.gz QMCKVVWOXNISQM-UHFFFAOYSA-N 1 2 334.424 0.099 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC(n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001105299347 741681903 /nfs/dbraw/zinc/68/19/03/741681903.db2.gz SHLZCCJQHXTQAK-LLVKDONJSA-N 1 2 334.424 0.227 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC[C@H]3CCCO3)C2)nn1 ZINC001098622224 741776642 /nfs/dbraw/zinc/77/66/42/741776642.db2.gz CXYNWGZHVWRUAD-HZPDHXFCSA-N 1 2 331.420 0.734 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C4CC4)no3)C2)nn1 ZINC001105337081 742423001 /nfs/dbraw/zinc/42/30/01/742423001.db2.gz RGMJKTGAPAGYHP-UHFFFAOYSA-N 1 2 340.387 0.954 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@]2(C)C[N@H+](CC(=O)Nc3ccon3)C[C@]2(C)C1 ZINC000982232835 751737611 /nfs/dbraw/zinc/73/76/11/751737611.db2.gz DXEXITRQVIBMEL-JLZZUVOBSA-N 1 2 345.403 0.943 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@]2(C)C[N@@H+](CC(=O)Nc3ccon3)C[C@]2(C)C1 ZINC000982232835 751737615 /nfs/dbraw/zinc/73/76/15/751737615.db2.gz DXEXITRQVIBMEL-JLZZUVOBSA-N 1 2 345.403 0.943 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC000975189833 742582027 /nfs/dbraw/zinc/58/20/27/742582027.db2.gz WBBLPCYSWRNYOJ-GFCCVEGCSA-N 1 2 340.387 0.821 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)cn1 ZINC000997102259 743238249 /nfs/dbraw/zinc/23/82/49/743238249.db2.gz ORLZOFWFDLLTIH-ZDUSSCGKSA-N 1 2 337.383 0.851 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)cn1 ZINC000997102368 743238330 /nfs/dbraw/zinc/23/83/30/743238330.db2.gz QZUXAKPAJJYQSL-HZPDHXFCSA-N 1 2 349.394 0.541 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC000983551540 743429878 /nfs/dbraw/zinc/42/98/78/743429878.db2.gz AYMLXAPAHFKUDI-KBPBESRZSA-N 1 2 340.387 0.940 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C1 ZINC000975968514 743434788 /nfs/dbraw/zinc/43/47/88/743434788.db2.gz PJCCADFOVNLXRY-IPYPFGDCSA-N 1 2 329.404 0.951 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@H]2C1 ZINC000975968514 743434794 /nfs/dbraw/zinc/43/47/94/743434794.db2.gz PJCCADFOVNLXRY-IPYPFGDCSA-N 1 2 329.404 0.951 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001059867911 751831443 /nfs/dbraw/zinc/83/14/43/751831443.db2.gz YUBDLGRLYQLGJL-WMLDXEAASA-N 1 2 334.420 0.565 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cnsn3)C2)C1=O ZINC001006797841 751845270 /nfs/dbraw/zinc/84/52/70/751845270.db2.gz KIUJQEBJGHKWPD-DGCLKSJQSA-N 1 2 335.433 0.519 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cnsn3)C2)C1=O ZINC001006797841 751845280 /nfs/dbraw/zinc/84/52/80/751845280.db2.gz KIUJQEBJGHKWPD-DGCLKSJQSA-N 1 2 335.433 0.519 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@H]32)[nH]1 ZINC000976367165 743862506 /nfs/dbraw/zinc/86/25/06/743862506.db2.gz NGTCHCASFLUEFI-VIKVFOODSA-N 1 2 338.371 0.360 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccn(CC)n3)C2)nn1 ZINC001105338783 744086696 /nfs/dbraw/zinc/08/66/96/744086696.db2.gz BEDRVEQBQFVWTJ-UHFFFAOYSA-N 1 2 327.392 0.305 20 30 ECEDLO CN(C)c1noc(C[NH2+][C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000998849920 744370962 /nfs/dbraw/zinc/37/09/62/744370962.db2.gz QPLOVECGRSEJKK-LBPRGKRZSA-N 1 2 343.391 0.730 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@H]32)nc1 ZINC000976916164 744475405 /nfs/dbraw/zinc/47/54/05/744475405.db2.gz MNMSVSJKKXQPKI-HWWDLCQESA-N 1 2 349.394 0.226 20 30 ECEDLO C=C1CC(C)(C(=O)NC2CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C2)C1 ZINC000999293008 744604821 /nfs/dbraw/zinc/60/48/21/744604821.db2.gz MNGLGQRMRUUMAP-MRXNPFEDSA-N 1 2 347.459 0.781 20 30 ECEDLO C#Cc1cncc(C(=O)NC2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)c1 ZINC000999319863 744624077 /nfs/dbraw/zinc/62/40/77/744624077.db2.gz MVJJNOWWRCCPDT-CQSZACIVSA-N 1 2 349.394 0.463 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1C[N@@H+]([C@H](C)C(N)=O)CC1(C)C ZINC000977442746 744994216 /nfs/dbraw/zinc/99/42/16/744994216.db2.gz XMYGCHVJLAKUMU-OCCSQVGLSA-N 1 2 346.431 0.960 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1C[N@H+]([C@H](C)C(N)=O)CC1(C)C ZINC000977442746 744994222 /nfs/dbraw/zinc/99/42/22/744994222.db2.gz XMYGCHVJLAKUMU-OCCSQVGLSA-N 1 2 346.431 0.960 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001098697752 745235710 /nfs/dbraw/zinc/23/57/10/745235710.db2.gz KWUHJDNCQNOHEK-AWEZNQCLSA-N 1 2 348.451 0.489 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C(C)(C)C1 ZINC000977659676 745353030 /nfs/dbraw/zinc/35/30/30/745353030.db2.gz KLWNVKWOAKJMDR-MNOVXSKESA-N 1 2 327.812 0.618 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C(C)(C)C1 ZINC000977659676 745353034 /nfs/dbraw/zinc/35/30/34/745353034.db2.gz KLWNVKWOAKJMDR-MNOVXSKESA-N 1 2 327.812 0.618 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cn1cc[nH+]c1 ZINC000977807429 745527606 /nfs/dbraw/zinc/52/76/06/745527606.db2.gz IDIFGRBZIXDFTM-XHSDSOJGSA-N 1 2 346.431 0.924 20 30 ECEDLO CCc1noc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)n1 ZINC000978060790 745842252 /nfs/dbraw/zinc/84/22/52/745842252.db2.gz LHTKVXOQLIRQOG-ZSOGYDGISA-N 1 2 340.387 0.940 20 30 ECEDLO CCc1noc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)n1 ZINC000978060790 745842259 /nfs/dbraw/zinc/84/22/59/745842259.db2.gz LHTKVXOQLIRQOG-ZSOGYDGISA-N 1 2 340.387 0.940 20 30 ECEDLO N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@H]3CCc4[nH+]ccn4C3)C2)n1 ZINC001059336821 746005034 /nfs/dbraw/zinc/00/50/34/746005034.db2.gz VRDFDQSVYCLNDK-AVGNSLFASA-N 1 2 337.387 0.866 20 30 ECEDLO N#Cc1cnccc1N[C@H]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001059338417 746020172 /nfs/dbraw/zinc/02/01/72/746020172.db2.gz DJBHFYRQASAXCO-BPLDGKMQSA-N 1 2 336.399 0.893 20 30 ECEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC001001254141 746212493 /nfs/dbraw/zinc/21/24/93/746212493.db2.gz ILJIAVVPSNGASZ-CYBMUJFWSA-N 1 2 347.868 0.521 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCN(C)S2(=O)=O)CC1 ZINC001001254141 746212498 /nfs/dbraw/zinc/21/24/98/746212498.db2.gz ILJIAVVPSNGASZ-CYBMUJFWSA-N 1 2 347.868 0.521 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)C[C@H]2CCN2C(=O)Cc2c[nH+]c[nH]2)c1 ZINC000978362475 746243953 /nfs/dbraw/zinc/24/39/53/746243953.db2.gz RTLBYANTESAXOY-MRXNPFEDSA-N 1 2 337.383 0.702 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cn1cc[nH+]c1 ZINC000978431209 746314843 /nfs/dbraw/zinc/31/48/43/746314843.db2.gz IBZHQCUVIKCTEP-KFWWJZLASA-N 1 2 332.404 0.534 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nn3)[C@@H]2CC)nc1 ZINC001087800200 746360979 /nfs/dbraw/zinc/36/09/79/746360979.db2.gz HPWSFTLDTIKVPD-DOTOQJQBSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cn(C)nn3)[C@@H]2CC)nc1 ZINC001087800200 746360983 /nfs/dbraw/zinc/36/09/83/746360983.db2.gz HPWSFTLDTIKVPD-DOTOQJQBSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1cncc(C(=O)NCC2CC[NH+](Cc3nncn3C)CC2)c1 ZINC001001813556 746741123 /nfs/dbraw/zinc/74/11/23/746741123.db2.gz YCEWHOWTFRDBPB-UHFFFAOYSA-N 1 2 338.415 0.833 20 30 ECEDLO C[C@H](c1nnnn1C)[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 ZINC001087961750 746746420 /nfs/dbraw/zinc/74/64/20/746746420.db2.gz IGLMLDRPEVEXRK-YUELXQCFSA-N 1 2 328.420 0.465 20 30 ECEDLO C[C@H](c1nnnn1C)[N@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 ZINC001087961750 746746425 /nfs/dbraw/zinc/74/64/25/746746425.db2.gz IGLMLDRPEVEXRK-YUELXQCFSA-N 1 2 328.420 0.465 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000984671105 746822288 /nfs/dbraw/zinc/82/22/88/746822288.db2.gz TWAUKGSQVHCCHA-XHSDSOJGSA-N 1 2 346.431 0.993 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](CC(C)C)OC)C2)nn1 ZINC001098715960 747164062 /nfs/dbraw/zinc/16/40/62/747164062.db2.gz MPNUFZNAXFPNRV-JKSUJKDBSA-N 1 2 333.436 0.835 20 30 ECEDLO Cc1nnc(C[NH2+][C@H](C)[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)o1 ZINC000979275837 747497316 /nfs/dbraw/zinc/49/73/16/747497316.db2.gz OXKZCJLMXSSPIE-QMTHXVAHSA-N 1 2 344.375 0.597 20 30 ECEDLO N#Cc1cc(C(=O)N2CC[C@H](CCNC(=O)Cc3c[nH]c[nH+]3)C2)c[nH]1 ZINC001059505838 747588331 /nfs/dbraw/zinc/58/83/31/747588331.db2.gz YDIVFTYTLNSDJM-LBPRGKRZSA-N 1 2 340.387 0.821 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H](n3cc(C[NH2+]CCF)nn3)C2)c1 ZINC001098722212 747648358 /nfs/dbraw/zinc/64/83/58/747648358.db2.gz MANTTWOFKQJLAL-INIZCTEOSA-N 1 2 342.378 0.801 20 30 ECEDLO CCCCn1nnnc1C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC001029677364 748040710 /nfs/dbraw/zinc/04/07/10/748040710.db2.gz KXZRACYBIIIJEI-KBPBESRZSA-N 1 2 333.440 0.913 20 30 ECEDLO CCCCn1nnnc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC001029677364 748040719 /nfs/dbraw/zinc/04/07/19/748040719.db2.gz KXZRACYBIIIJEI-KBPBESRZSA-N 1 2 333.440 0.913 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](C[N@H+](C)Cc2ncnn2CC(F)F)C1 ZINC001029678854 748044490 /nfs/dbraw/zinc/04/44/90/748044490.db2.gz UBUNBLADDWYSRV-RYUDHWBXSA-N 1 2 340.378 0.983 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ncnn2CC(F)F)C1 ZINC001029678854 748044495 /nfs/dbraw/zinc/04/44/95/748044495.db2.gz UBUNBLADDWYSRV-RYUDHWBXSA-N 1 2 340.378 0.983 20 30 ECEDLO CN(CCN(C)c1cncc(C#N)n1)C(=O)CCCn1cc[nH+]c1 ZINC001105417368 748631996 /nfs/dbraw/zinc/63/19/96/748631996.db2.gz AUYJZQXVHCRZEI-UHFFFAOYSA-N 1 2 327.392 0.920 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001059604447 748767247 /nfs/dbraw/zinc/76/72/47/748767247.db2.gz GXNPZJSEFWYQEW-PHIMTYICSA-N 1 2 336.359 0.936 20 30 ECEDLO CN(CCCN(C)c1ccc(C#N)nn1)C(=O)CCc1c[nH]c[nH+]1 ZINC001112192609 748911959 /nfs/dbraw/zinc/91/19/59/748911959.db2.gz KUQBAHZZIMQNRP-UHFFFAOYSA-N 1 2 327.392 0.989 20 30 ECEDLO CN(CCCN(C)c1ccc(C#N)nn1)C(=O)CCc1c[nH+]c[nH]1 ZINC001112192609 748911966 /nfs/dbraw/zinc/91/19/66/748911966.db2.gz KUQBAHZZIMQNRP-UHFFFAOYSA-N 1 2 327.392 0.989 20 30 ECEDLO CN(CCCN(C)c1ccnc(C#N)n1)C(=O)CCc1c[nH]c[nH+]1 ZINC001112192726 748936181 /nfs/dbraw/zinc/93/61/81/748936181.db2.gz QWTDSTMGPURSSY-UHFFFAOYSA-N 1 2 327.392 0.989 20 30 ECEDLO CN(CCCN(C)c1ccnc(C#N)n1)C(=O)CCc1c[nH+]c[nH]1 ZINC001112192726 748936183 /nfs/dbraw/zinc/93/61/83/748936183.db2.gz QWTDSTMGPURSSY-UHFFFAOYSA-N 1 2 327.392 0.989 20 30 ECEDLO Cc1nc(NC[C@H](O)CNC(=O)CCc2[nH]cc[nH+]2)ccc1C#N ZINC001105804272 761917273 /nfs/dbraw/zinc/91/72/73/761917273.db2.gz NBCBJMLFSFJXPP-ZDUSSCGKSA-N 1 2 328.376 0.507 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001059646868 749097957 /nfs/dbraw/zinc/09/79/57/749097957.db2.gz YVYBAKSCPOVMHQ-AWEZNQCLSA-N 1 2 332.404 0.347 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001059648558 749109247 /nfs/dbraw/zinc/10/92/47/749109247.db2.gz VBLATIVCLPLRNB-HNNXBMFYSA-N 1 2 346.431 0.737 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001059648558 749109249 /nfs/dbraw/zinc/10/92/49/749109249.db2.gz VBLATIVCLPLRNB-HNNXBMFYSA-N 1 2 346.431 0.737 20 30 ECEDLO COCCN(CCNC(=O)[C@H](C)C#N)c1[nH+]cnc2c1cnn2C ZINC001126261937 749161852 /nfs/dbraw/zinc/16/18/52/749161852.db2.gz VGNDVSMMZGJOAU-LLVKDONJSA-N 1 2 331.380 0.092 20 30 ECEDLO CCc1nc(C#N)cc(N[C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001059665847 749263117 /nfs/dbraw/zinc/26/31/17/749263117.db2.gz RDCIDMOBWISQAV-TXEJJXNPSA-N 1 2 325.376 0.866 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)C2CS(=O)(=O)C2)cc1 ZINC001027903110 749265442 /nfs/dbraw/zinc/26/54/42/749265442.db2.gz BODBVXCXIYMLTP-INIZCTEOSA-N 1 2 347.440 0.683 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)C2CS(=O)(=O)C2)cc1 ZINC001027903110 749265448 /nfs/dbraw/zinc/26/54/48/749265448.db2.gz BODBVXCXIYMLTP-INIZCTEOSA-N 1 2 347.440 0.683 20 30 ECEDLO C#Cc1cncc(C(=O)NCC2CN(C(=O)CCc3c[nH]c[nH+]3)C2)c1 ZINC001004199518 749306227 /nfs/dbraw/zinc/30/62/27/749306227.db2.gz RFWUANKGQMFJGE-UHFFFAOYSA-N 1 2 337.383 0.607 20 30 ECEDLO C#Cc1cncc(C(=O)NCC2CN(C(=O)CCc3c[nH+]c[nH]3)C2)c1 ZINC001004199518 749306229 /nfs/dbraw/zinc/30/62/29/749306229.db2.gz RFWUANKGQMFJGE-UHFFFAOYSA-N 1 2 337.383 0.607 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC001013933884 761938005 /nfs/dbraw/zinc/93/80/05/761938005.db2.gz NSPPRRCBQLSZEE-WFASDCNBSA-N 1 2 337.383 0.748 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3nncn3C)C2)nc1 ZINC001029889375 749436788 /nfs/dbraw/zinc/43/67/88/749436788.db2.gz BRWLFSVUCPZWKD-HNNXBMFYSA-N 1 2 338.415 0.786 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3nncn3C)C2)nc1 ZINC001029889375 749436794 /nfs/dbraw/zinc/43/67/94/749436794.db2.gz BRWLFSVUCPZWKD-HNNXBMFYSA-N 1 2 338.415 0.786 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cc(C)nn3CC)C2)nn1 ZINC001098741427 749621036 /nfs/dbraw/zinc/62/10/36/749621036.db2.gz ZLDWGIMAKPZQQH-HNNXBMFYSA-N 1 2 341.419 0.613 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC000986276645 749744194 /nfs/dbraw/zinc/74/41/94/749744194.db2.gz OFIGPGCWPCEIQM-MCIONIFRSA-N 1 2 329.404 0.809 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC000986276645 749744199 /nfs/dbraw/zinc/74/41/99/749744199.db2.gz OFIGPGCWPCEIQM-MCIONIFRSA-N 1 2 329.404 0.809 20 30 ECEDLO C[C@H]([NH2+]Cc1nnn(C)n1)[C@@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001004810929 749898685 /nfs/dbraw/zinc/89/86/85/749898685.db2.gz TYKDVFHZFBKXLD-FZMZJTMJSA-N 1 2 342.407 0.583 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3cnc(C)cn3)CC2)C1=O ZINC000980652560 749921886 /nfs/dbraw/zinc/92/18/86/749921886.db2.gz IDWMIOSQCRVKBL-INIZCTEOSA-N 1 2 343.431 0.720 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3cnc(C)cn3)CC2)C1=O ZINC000980652560 749921890 /nfs/dbraw/zinc/92/18/90/749921890.db2.gz IDWMIOSQCRVKBL-INIZCTEOSA-N 1 2 343.431 0.720 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](C)OCC3CC3)C2)nn1 ZINC001098633477 749945608 /nfs/dbraw/zinc/94/56/08/749945608.db2.gz LGJIYLMUDKJGOS-CJNGLKHVSA-N 1 2 331.420 0.589 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2c(C)ccn2C)[C@H](OC)C1 ZINC001212167797 762007931 /nfs/dbraw/zinc/00/79/31/762007931.db2.gz CINCCQPLEBNDQD-RBSFLKMASA-N 1 2 348.447 0.453 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2c(C)ccn2C)[C@H](OC)C1 ZINC001212167797 762007942 /nfs/dbraw/zinc/00/79/42/762007942.db2.gz CINCCQPLEBNDQD-RBSFLKMASA-N 1 2 348.447 0.453 20 30 ECEDLO C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001004989951 750108186 /nfs/dbraw/zinc/10/81/86/750108186.db2.gz KDCUSZBVYPVZHW-WFASDCNBSA-N 1 2 340.387 0.750 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCO[C@@H](C)C3)C2)nn1 ZINC001105349855 750443406 /nfs/dbraw/zinc/44/34/06/750443406.db2.gz RNPDHKIIHNGVNS-UONOGXRCSA-N 1 2 331.420 0.589 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3n[nH]c(C)c3C)C2)nn1 ZINC001098639923 750449867 /nfs/dbraw/zinc/44/98/67/750449867.db2.gz AMYUIBHQNUVNTA-OAHLLOKOSA-N 1 2 341.419 0.818 20 30 ECEDLO CC[C@@]1(C)C[C@H]1C(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105351822 750465279 /nfs/dbraw/zinc/46/52/79/750465279.db2.gz KJBRRYDHYCVPQF-WMZOPIPTSA-N 1 2 345.447 0.837 20 30 ECEDLO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001005937590 750820040 /nfs/dbraw/zinc/82/00/40/750820040.db2.gz HMGOYHYOXXQTAF-GFCCVEGCSA-N 1 2 340.387 0.750 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001098513647 750831754 /nfs/dbraw/zinc/83/17/54/750831754.db2.gz SNQNHAQHYCSJBP-ZDUSSCGKSA-N 1 2 334.424 0.709 20 30 ECEDLO C[N@@H+]1CCc2ncnc(NC[C@H](O)CNC(=O)C#CC(C)(C)C)c2C1 ZINC001105825964 762077034 /nfs/dbraw/zinc/07/70/34/762077034.db2.gz UTEQYHZQRKDICG-CYBMUJFWSA-N 1 2 345.447 0.403 20 30 ECEDLO C[N@H+]1CCc2ncnc(NC[C@H](O)CNC(=O)C#CC(C)(C)C)c2C1 ZINC001105825964 762077042 /nfs/dbraw/zinc/07/70/42/762077042.db2.gz UTEQYHZQRKDICG-CYBMUJFWSA-N 1 2 345.447 0.403 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000987532816 750946202 /nfs/dbraw/zinc/94/62/02/750946202.db2.gz PBUORSUSXMKQKC-YPMHNXCESA-N 1 2 340.387 0.961 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1CC[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001059833487 751198275 /nfs/dbraw/zinc/19/82/75/751198275.db2.gz UZUPIJQTOBRGRW-KGLIPLIRSA-N 1 2 334.420 0.898 20 30 ECEDLO C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CN(C(=O)C#CC2CC2)C1 ZINC001006314000 751232922 /nfs/dbraw/zinc/23/29/22/751232922.db2.gz VOUJHWVVXYOXQP-ZFWWWQNUSA-N 1 2 340.427 0.822 20 30 ECEDLO CC#CC[N@@H+]1CCCC2(CN(C(=O)C[C@@H]3CCCS3(=O)=O)C2)C1 ZINC000981914030 751272017 /nfs/dbraw/zinc/27/20/17/751272017.db2.gz DGXMLVFEXOIXAI-HNNXBMFYSA-N 1 2 338.473 0.901 20 30 ECEDLO CC#CC[N@H+]1CCCC2(CN(C(=O)C[C@@H]3CCCS3(=O)=O)C2)C1 ZINC000981914030 751272020 /nfs/dbraw/zinc/27/20/20/751272020.db2.gz DGXMLVFEXOIXAI-HNNXBMFYSA-N 1 2 338.473 0.901 20 30 ECEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3ncnn3)C2)ccc1F ZINC001007337707 752303381 /nfs/dbraw/zinc/30/33/81/752303381.db2.gz KFPGNECBCOMXSZ-CQSZACIVSA-N 1 2 343.366 0.465 20 30 ECEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)Cn3ncnn3)C2)ccc1F ZINC001007337707 752303388 /nfs/dbraw/zinc/30/33/88/752303388.db2.gz KFPGNECBCOMXSZ-CQSZACIVSA-N 1 2 343.366 0.465 20 30 ECEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1OC ZINC001211999549 752362113 /nfs/dbraw/zinc/36/21/13/752362113.db2.gz PDWLXTQYQCOKNJ-RBSFLKMASA-N 1 2 344.477 0.593 20 30 ECEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C[C@H]1OC ZINC001211999549 752362117 /nfs/dbraw/zinc/36/21/17/752362117.db2.gz PDWLXTQYQCOKNJ-RBSFLKMASA-N 1 2 344.477 0.593 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H](C)CCC)[C@H](OC)C1 ZINC001212006555 752398118 /nfs/dbraw/zinc/39/81/18/752398118.db2.gz DKJDUDYBEKPOPJ-RBSFLKMASA-N 1 2 325.453 0.930 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H](C)CCC)[C@H](OC)C1 ZINC001212006555 752398126 /nfs/dbraw/zinc/39/81/26/752398126.db2.gz DKJDUDYBEKPOPJ-RBSFLKMASA-N 1 2 325.453 0.930 20 30 ECEDLO Cc1nnc(CC(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)o1 ZINC001083443618 752405722 /nfs/dbraw/zinc/40/57/22/752405722.db2.gz QUBFLVRZBYTRJF-CVEARBPZSA-N 1 2 340.383 0.134 20 30 ECEDLO Cc1nnc(CC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)o1 ZINC001083443618 752405727 /nfs/dbraw/zinc/40/57/27/752405727.db2.gz QUBFLVRZBYTRJF-CVEARBPZSA-N 1 2 340.383 0.134 20 30 ECEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1OC ZINC001212024109 752417312 /nfs/dbraw/zinc/41/73/12/752417312.db2.gz JWFTWAUZOJGCEZ-MGPQQGTHSA-N 1 2 332.466 0.449 20 30 ECEDLO C=CCCC(=O)N[C@@H]1C[N@H+](C[C@@H](C)CS(C)(=O)=O)C[C@H]1OC ZINC001212024109 752417317 /nfs/dbraw/zinc/41/73/17/752417317.db2.gz JWFTWAUZOJGCEZ-MGPQQGTHSA-N 1 2 332.466 0.449 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccc(F)cc3)C2)nn1 ZINC001105368069 752467149 /nfs/dbraw/zinc/46/71/49/752467149.db2.gz ORAKXHSECCJBME-UHFFFAOYSA-N 1 2 327.363 0.766 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](NC(=O)c3ncc[nH]3)[C@@H](O)C2)cc1C#N ZINC001083447881 752595402 /nfs/dbraw/zinc/59/54/02/752595402.db2.gz ODHQUKOASWKKNU-KGLIPLIRSA-N 1 2 341.371 0.265 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3ncc[nH]3)[C@@H](O)C2)cc1C#N ZINC001083447881 752595410 /nfs/dbraw/zinc/59/54/10/752595410.db2.gz ODHQUKOASWKKNU-KGLIPLIRSA-N 1 2 341.371 0.265 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O)[C@@H]1CC1(F)F ZINC001083448700 752615226 /nfs/dbraw/zinc/61/52/26/752615226.db2.gz RYNZXRXJVCPXIK-ZNMIVQPWSA-N 1 2 338.329 0.994 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O)[C@@H]1CC1(F)F ZINC001083448700 752615230 /nfs/dbraw/zinc/61/52/30/752615230.db2.gz RYNZXRXJVCPXIK-ZNMIVQPWSA-N 1 2 338.329 0.994 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC(F)(F)F)[C@H](OC)C1 ZINC001212085356 752716996 /nfs/dbraw/zinc/71/69/96/752716996.db2.gz PRTAGXDYKKQROZ-IJLUTSLNSA-N 1 2 349.353 0.282 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC(F)(F)F)[C@H](OC)C1 ZINC001212085356 752716999 /nfs/dbraw/zinc/71/69/99/752716999.db2.gz PRTAGXDYKKQROZ-IJLUTSLNSA-N 1 2 349.353 0.282 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)/C=C\c2ccco2)[C@H](OC)C1 ZINC001211787799 752738546 /nfs/dbraw/zinc/73/85/46/752738546.db2.gz PCNNJAPRYISEOE-IBVSFMJSSA-N 1 2 345.399 0.246 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)/C=C\c2ccco2)[C@H](OC)C1 ZINC001211787799 752738552 /nfs/dbraw/zinc/73/85/52/752738552.db2.gz PCNNJAPRYISEOE-IBVSFMJSSA-N 1 2 345.399 0.246 20 30 ECEDLO N#Cc1nccc(N[C@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)n1 ZINC001058995719 752810589 /nfs/dbraw/zinc/81/05/89/752810589.db2.gz UBYKRDICXNMYPJ-STQMWFEESA-N 1 2 337.387 0.242 20 30 ECEDLO COCCN(CCNC(=O)Cc1c[nH+]cn1C)c1ccc(C#N)cn1 ZINC001126373557 752825949 /nfs/dbraw/zinc/82/59/49/752825949.db2.gz XPWBFWPIWGCCTM-UHFFFAOYSA-N 1 2 342.403 0.498 20 30 ECEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C1 ZINC001007827485 752965407 /nfs/dbraw/zinc/96/54/07/752965407.db2.gz VTBNIJJBBFTVEW-OAHLLOKOSA-N 1 2 332.448 0.979 20 30 ECEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)C1 ZINC001007827485 752965409 /nfs/dbraw/zinc/96/54/09/752965409.db2.gz VTBNIJJBBFTVEW-OAHLLOKOSA-N 1 2 332.448 0.979 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccnc3OCC)C2)nn1 ZINC001105369615 752994914 /nfs/dbraw/zinc/99/49/14/752994914.db2.gz FXVIFETUUQKZPK-UHFFFAOYSA-N 1 2 340.387 0.492 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001008178980 753428790 /nfs/dbraw/zinc/42/87/90/753428790.db2.gz SBEQSESLQKPKHO-HZPDHXFCSA-N 1 2 326.400 0.775 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001008178980 753428792 /nfs/dbraw/zinc/42/87/92/753428792.db2.gz SBEQSESLQKPKHO-HZPDHXFCSA-N 1 2 326.400 0.775 20 30 ECEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NC(CO)(CO)CO)[nH+]1 ZINC001167929388 753448968 /nfs/dbraw/zinc/44/89/68/753448968.db2.gz XPVVYTRZZBIYON-GBXRJUDBSA-N 1 2 343.449 0.399 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000982740210 753451774 /nfs/dbraw/zinc/45/17/74/753451774.db2.gz VNORUQULKXRVKZ-HZPDHXFCSA-N 1 2 340.427 0.824 20 30 ECEDLO Cc1ocnc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083362013 753679812 /nfs/dbraw/zinc/67/98/12/753679812.db2.gz PPONNDJKELSMCW-CABCVRRESA-N 1 2 326.356 0.830 20 30 ECEDLO Cc1ocnc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083362013 753679818 /nfs/dbraw/zinc/67/98/18/753679818.db2.gz PPONNDJKELSMCW-CABCVRRESA-N 1 2 326.356 0.830 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CC#Cc3ccccc3)C2)nn1 ZINC001105375965 753853002 /nfs/dbraw/zinc/85/30/02/753853002.db2.gz WRMCPDJMPUFHBK-UHFFFAOYSA-N 1 2 333.395 0.826 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)nc1 ZINC001014101307 762249090 /nfs/dbraw/zinc/24/90/90/762249090.db2.gz WMKDYGRLFDZMLR-SWLSCSKDSA-N 1 2 337.383 0.748 20 30 ECEDLO C=CCOc1cccnc1C(=O)N1CCC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC000989451467 753950265 /nfs/dbraw/zinc/95/02/65/753950265.db2.gz HPUWPQOBWITOAF-CQSZACIVSA-N 1 2 344.415 0.683 20 30 ECEDLO C=CCOc1cccnc1C(=O)N1CCC[N@H+]([C@@H]2CCNC2=O)CC1 ZINC000989451467 753950272 /nfs/dbraw/zinc/95/02/72/753950272.db2.gz HPUWPQOBWITOAF-CQSZACIVSA-N 1 2 344.415 0.683 20 30 ECEDLO C[C@@H](CCNC(=O)CSCC#N)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001075677968 754013582 /nfs/dbraw/zinc/01/35/82/754013582.db2.gz GZQFEOZHCGCKTO-QWHCGFSZSA-N 1 2 349.460 0.713 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCC(=O)N3)CC2)s1 ZINC000989516757 754067870 /nfs/dbraw/zinc/06/78/70/754067870.db2.gz KPZHHEMDJOJUFU-AWEZNQCLSA-N 1 2 332.429 0.933 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCC(=O)N3)CC2)s1 ZINC000989516757 754067877 /nfs/dbraw/zinc/06/78/77/754067877.db2.gz KPZHHEMDJOJUFU-AWEZNQCLSA-N 1 2 332.429 0.933 20 30 ECEDLO C=CCCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3nc(C)no3)C[C@@H]2C)nn1 ZINC000989544296 754092879 /nfs/dbraw/zinc/09/28/79/754092879.db2.gz QMQLONWXTBZTII-AAEUAGOBSA-N 1 2 345.407 0.938 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)CC1 ZINC000989557578 754113992 /nfs/dbraw/zinc/11/39/92/754113992.db2.gz NFKCHBVRSNRQOQ-AWEZNQCLSA-N 1 2 349.884 0.745 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)CC1 ZINC000989557578 754113995 /nfs/dbraw/zinc/11/39/95/754113995.db2.gz NFKCHBVRSNRQOQ-AWEZNQCLSA-N 1 2 349.884 0.745 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccnn3C)C2)nn1 ZINC001008793902 754125134 /nfs/dbraw/zinc/12/51/34/754125134.db2.gz JUMIVVYUOVLFNI-ZDUSSCGKSA-N 1 2 329.408 0.592 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccnn3C)C2)nn1 ZINC001008793902 754125139 /nfs/dbraw/zinc/12/51/39/754125139.db2.gz JUMIVVYUOVLFNI-ZDUSSCGKSA-N 1 2 329.408 0.592 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3CC3)C2)nn1 ZINC001008800170 754131220 /nfs/dbraw/zinc/13/12/20/754131220.db2.gz OIPMYBIWRDHQGB-GXTWGEPZSA-N 1 2 346.435 0.325 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)nn1 ZINC001008800170 754131226 /nfs/dbraw/zinc/13/12/26/754131226.db2.gz OIPMYBIWRDHQGB-GXTWGEPZSA-N 1 2 346.435 0.325 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)c1 ZINC000982942097 754254202 /nfs/dbraw/zinc/25/42/02/754254202.db2.gz QROJUMXVLQRGHM-OAHLLOKOSA-N 1 2 337.383 0.538 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)[nH]1 ZINC001008949302 754348679 /nfs/dbraw/zinc/34/86/79/754348679.db2.gz ZLIQRFKPWXGETJ-ZSOGYDGISA-N 1 2 338.371 0.217 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](NC(=O)C2=CCCC2)[C@H](OC)C1 ZINC001212117230 754700193 /nfs/dbraw/zinc/70/01/93/754700193.db2.gz PHJXHIQVCAJMQH-HZPDHXFCSA-N 1 2 348.447 0.674 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](NC(=O)C2=CCCC2)[C@H](OC)C1 ZINC001212117230 754700196 /nfs/dbraw/zinc/70/01/96/754700196.db2.gz PHJXHIQVCAJMQH-HZPDHXFCSA-N 1 2 348.447 0.674 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)nc1 ZINC001009255142 754713124 /nfs/dbraw/zinc/71/31/24/754713124.db2.gz URRNEGBFIKZJAW-MRXNPFEDSA-N 1 2 340.427 0.880 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)nc1 ZINC001009255142 754713126 /nfs/dbraw/zinc/71/31/26/754713126.db2.gz URRNEGBFIKZJAW-MRXNPFEDSA-N 1 2 340.427 0.880 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CCC[N@@H+]([C@H](CC)C(N)=O)C1 ZINC001009265196 754721874 /nfs/dbraw/zinc/72/18/74/754721874.db2.gz XCXHPNNUNMXHHI-DZGCQCFKSA-N 1 2 344.415 0.552 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CCC[N@H+]([C@H](CC)C(N)=O)C1 ZINC001009265196 754721878 /nfs/dbraw/zinc/72/18/78/754721878.db2.gz XCXHPNNUNMXHHI-DZGCQCFKSA-N 1 2 344.415 0.552 20 30 ECEDLO CN(CCN(C)c1ccc(C#N)nn1)C(=O)CCc1[nH+]ccn1C ZINC001105611515 754750021 /nfs/dbraw/zinc/75/00/21/754750021.db2.gz IZSWMXLJQQEFEK-UHFFFAOYSA-N 1 2 327.392 0.609 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000990135328 754760793 /nfs/dbraw/zinc/76/07/93/754760793.db2.gz SCRPJHMIYCTPJG-OJLVUWQFSA-N 1 2 346.431 0.659 20 30 ECEDLO Cc1noc([C@H](C)[NH2+]C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)n1 ZINC001051556179 762331670 /nfs/dbraw/zinc/33/16/70/762331670.db2.gz SBNKFOAKJHMYDZ-GWCFXTLKSA-N 1 2 344.375 0.770 20 30 ECEDLO Cn1cc(C[N@@H+]2CC[C@@]3(NC(=O)c4ccc(C#N)[nH]4)CCC[C@H]23)nn1 ZINC000990275150 754929625 /nfs/dbraw/zinc/92/96/25/754929625.db2.gz FCWXPOTYHCWNRT-RDJZCZTQSA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1cc(C[N@H+]2CC[C@@]3(NC(=O)c4ccc(C#N)[nH]4)CCC[C@H]23)nn1 ZINC000990275150 754929630 /nfs/dbraw/zinc/92/96/30/754929630.db2.gz FCWXPOTYHCWNRT-RDJZCZTQSA-N 1 2 339.403 0.942 20 30 ECEDLO CCc1noc(C[NH2+]C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)n1 ZINC001051563416 762346669 /nfs/dbraw/zinc/34/66/69/762346669.db2.gz RWAVLJHRUVKRDP-ZDUSSCGKSA-N 1 2 344.375 0.463 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(N(C)C)cn3)C2)nn1 ZINC001105379075 755240307 /nfs/dbraw/zinc/24/03/07/755240307.db2.gz PLHFSKAPQLKNAI-UHFFFAOYSA-N 1 2 339.403 0.159 20 30 ECEDLO CC#CC[NH+]1CCC2(CC1)CN(C(=O)Cc1ncn[nH]1)C[C@@H](C)O2 ZINC001098653375 755322224 /nfs/dbraw/zinc/32/22/24/755322224.db2.gz MSVXNVBRPLULLR-CQSZACIVSA-N 1 2 331.420 0.452 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H](CNc2ccc(C#N)nn2)C1 ZINC001060041166 755328543 /nfs/dbraw/zinc/32/85/43/755328543.db2.gz QBSDFCVERKYYCP-ZDUSSCGKSA-N 1 2 339.403 0.975 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@H](Nc2cncc(C#N)n2)C1 ZINC001059127186 755391622 /nfs/dbraw/zinc/39/16/22/755391622.db2.gz FFAXJFASQSLGEY-LBPRGKRZSA-N 1 2 325.376 0.727 20 30 ECEDLO COc1ccc(-c2noc(C[NH2+]CCNC(=O)C#CC(C)C)n2)nn1 ZINC001126815763 755512277 /nfs/dbraw/zinc/51/22/77/755512277.db2.gz LHAVBDRFCATRKF-UHFFFAOYSA-N 1 2 344.375 0.400 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)c1 ZINC000990703389 755651617 /nfs/dbraw/zinc/65/16/17/755651617.db2.gz JOGWBJUICUKEOY-LBPRGKRZSA-N 1 2 338.371 0.286 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000990703798 755652436 /nfs/dbraw/zinc/65/24/36/755652436.db2.gz MRYHESCTXTXEQB-SNVBAGLBSA-N 1 2 326.360 0.429 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000990703798 755652438 /nfs/dbraw/zinc/65/24/38/755652438.db2.gz MRYHESCTXTXEQB-SNVBAGLBSA-N 1 2 326.360 0.429 20 30 ECEDLO N#Cc1cnc(NC[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)cn1 ZINC001060093605 756004786 /nfs/dbraw/zinc/00/47/86/756004786.db2.gz JXINJTXBZAHWTG-GFCCVEGCSA-N 1 2 325.376 0.965 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 ZINC001076237868 756260251 /nfs/dbraw/zinc/26/02/51/756260251.db2.gz CMFKFRDKXWYAMU-QNWHQSFQSA-N 1 2 327.812 0.305 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 ZINC001076237868 756260254 /nfs/dbraw/zinc/26/02/54/756260254.db2.gz CMFKFRDKXWYAMU-QNWHQSFQSA-N 1 2 327.812 0.305 20 30 ECEDLO CCCc1noc(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC001051609338 762458207 /nfs/dbraw/zinc/45/82/07/762458207.db2.gz RRWAHZOWOPMHPT-CQSZACIVSA-N 1 2 332.404 0.753 20 30 ECEDLO COc1nccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001010635320 756331765 /nfs/dbraw/zinc/33/17/65/756331765.db2.gz FTNYNLXNUDYFCW-CYBMUJFWSA-N 1 2 326.360 0.689 20 30 ECEDLO COc1nccc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001010635320 756331770 /nfs/dbraw/zinc/33/17/70/756331770.db2.gz FTNYNLXNUDYFCW-CYBMUJFWSA-N 1 2 326.360 0.689 20 30 ECEDLO Cn1ncc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)c1N ZINC001010709246 756428447 /nfs/dbraw/zinc/42/84/47/756428447.db2.gz RSUXERUBJCGZNK-OAHLLOKOSA-N 1 2 341.390 0.997 20 30 ECEDLO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)c1N ZINC001010709246 756428453 /nfs/dbraw/zinc/42/84/53/756428453.db2.gz RSUXERUBJCGZNK-OAHLLOKOSA-N 1 2 341.390 0.997 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3ncccc3O)C2)C1=O ZINC001010729404 756452465 /nfs/dbraw/zinc/45/24/65/756452465.db2.gz BCPCBVXESMOPJN-CHWSQXEVSA-N 1 2 330.388 0.378 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3ncccc3O)C2)C1=O ZINC001010729404 756452469 /nfs/dbraw/zinc/45/24/69/756452469.db2.gz BCPCBVXESMOPJN-CHWSQXEVSA-N 1 2 330.388 0.378 20 30 ECEDLO N#Cc1nccc(NC[C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)n1 ZINC001060312745 762468926 /nfs/dbraw/zinc/46/89/26/762468926.db2.gz HJKVSLWVQJCSJN-CYBMUJFWSA-N 1 2 325.376 0.529 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)c1 ZINC001010834331 756580649 /nfs/dbraw/zinc/58/06/49/756580649.db2.gz NHCIUPUSTVMKQS-GXTWGEPZSA-N 1 2 332.335 0.496 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)[C@H]3COC(=O)N3)C2)c1 ZINC001010834331 756580651 /nfs/dbraw/zinc/58/06/51/756580651.db2.gz NHCIUPUSTVMKQS-GXTWGEPZSA-N 1 2 332.335 0.496 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001010850673 756600207 /nfs/dbraw/zinc/60/02/07/756600207.db2.gz KJYXEHMAFGYQAJ-AWEZNQCLSA-N 1 2 340.387 0.700 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001010850673 756600210 /nfs/dbraw/zinc/60/02/10/756600210.db2.gz KJYXEHMAFGYQAJ-AWEZNQCLSA-N 1 2 340.387 0.700 20 30 ECEDLO Cn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)nn1 ZINC001010855478 756604684 /nfs/dbraw/zinc/60/46/84/756604684.db2.gz XCUMWKUFHZWCMF-ZDUSSCGKSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)nn1 ZINC001010855478 756604686 /nfs/dbraw/zinc/60/46/86/756604686.db2.gz XCUMWKUFHZWCMF-ZDUSSCGKSA-N 1 2 328.351 0.830 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001076546299 756641343 /nfs/dbraw/zinc/64/13/43/756641343.db2.gz XMNQZMDVNRGZBT-GJZGRUSLSA-N 1 2 334.420 0.885 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3nccc(C)n3)C2)nn1 ZINC001098665143 756769867 /nfs/dbraw/zinc/76/98/67/756769867.db2.gz ULFIPOMFZLLXCU-AWEZNQCLSA-N 1 2 325.376 0.187 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001011027726 756789730 /nfs/dbraw/zinc/78/97/30/756789730.db2.gz APJGJGBYELRKRR-UHFFFAOYSA-N 1 2 340.387 0.537 20 30 ECEDLO N#Cc1cc(C(=O)NC2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)c[nH]1 ZINC000990933395 756905785 /nfs/dbraw/zinc/90/57/85/756905785.db2.gz XPRMRIGFHGVERQ-LLVKDONJSA-N 1 2 338.371 0.286 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCO3)C2)cc1C#N ZINC001076716719 756912341 /nfs/dbraw/zinc/91/23/41/756912341.db2.gz XEWSPEKMYBDIPL-INMHGKMJSA-N 1 2 345.399 0.407 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCO3)C2)cc1C#N ZINC001076716719 756912343 /nfs/dbraw/zinc/91/23/43/756912343.db2.gz XEWSPEKMYBDIPL-INMHGKMJSA-N 1 2 345.399 0.407 20 30 ECEDLO CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001076771455 757043243 /nfs/dbraw/zinc/04/32/43/757043243.db2.gz LEYQONLJSWCSHW-MAUKXSAKSA-N 1 2 349.475 0.768 20 30 ECEDLO Cc1cc(NC(=O)C[N@H+]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)on1 ZINC001048810980 757070736 /nfs/dbraw/zinc/07/07/36/757070736.db2.gz WLDBUNFYARKEDU-GASCZTMLSA-N 1 2 342.399 0.725 20 30 ECEDLO Cc1cc(NC(=O)C[N@@H+]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)on1 ZINC001048810980 757070745 /nfs/dbraw/zinc/07/07/45/757070745.db2.gz WLDBUNFYARKEDU-GASCZTMLSA-N 1 2 342.399 0.725 20 30 ECEDLO CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1O ZINC001048811433 757071526 /nfs/dbraw/zinc/07/15/26/757071526.db2.gz XGBHCQWPPZWEMO-GJZGRUSLSA-N 1 2 346.431 0.042 20 30 ECEDLO CC1(C)CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1NCC#N ZINC000996186640 757092689 /nfs/dbraw/zinc/09/26/89/757092689.db2.gz AMNZROFWZYCFBT-HZPDHXFCSA-N 1 2 334.464 0.980 20 30 ECEDLO CC1(C)CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[C@H]1NCC#N ZINC000996186640 757092700 /nfs/dbraw/zinc/09/27/00/757092700.db2.gz AMNZROFWZYCFBT-HZPDHXFCSA-N 1 2 334.464 0.980 20 30 ECEDLO CN(C(=O)C#CC(C)(C)C)[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1O ZINC001048832753 757136997 /nfs/dbraw/zinc/13/69/97/757136997.db2.gz VUUFOVVFPRLVRL-GJZGRUSLSA-N 1 2 346.431 0.422 20 30 ECEDLO CN(C(=O)C#CC(C)(C)C)[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1O ZINC001048832753 757137002 /nfs/dbraw/zinc/13/70/02/757137002.db2.gz VUUFOVVFPRLVRL-GJZGRUSLSA-N 1 2 346.431 0.422 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCOC3)C2)s1 ZINC001076794151 757194096 /nfs/dbraw/zinc/19/40/96/757194096.db2.gz UARFWVLTWWOOES-KCPJHIHWSA-N 1 2 335.429 0.708 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCOC3)C2)s1 ZINC001076794151 757194101 /nfs/dbraw/zinc/19/41/01/757194101.db2.gz UARFWVLTWWOOES-KCPJHIHWSA-N 1 2 335.429 0.708 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC001011219519 757213471 /nfs/dbraw/zinc/21/34/71/757213471.db2.gz JEVAROLMLTYKHK-MRXNPFEDSA-N 1 2 349.475 0.980 20 30 ECEDLO C=CCCCCC[NH+]1CC(n2cc(CNC(=O)c3cn[nH]n3)nn2)C1 ZINC001107183650 757391095 /nfs/dbraw/zinc/39/10/95/757391095.db2.gz QHCOPPHDTMKXOO-UHFFFAOYSA-N 1 2 344.423 0.929 20 30 ECEDLO C=CCCCCC[NH+]1CC(n2cc(CNC(=O)c3cnn[nH]3)nn2)C1 ZINC001107183650 757391106 /nfs/dbraw/zinc/39/11/06/757391106.db2.gz QHCOPPHDTMKXOO-UHFFFAOYSA-N 1 2 344.423 0.929 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CN3CCCCC3=O)nn2)C1 ZINC001107184053 757415179 /nfs/dbraw/zinc/41/51/79/757415179.db2.gz ARWKITJDKOJPPR-UHFFFAOYSA-N 1 2 346.435 0.340 20 30 ECEDLO Cc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001076907201 757563750 /nfs/dbraw/zinc/56/37/50/757563750.db2.gz FDKXHWBJZQGGDM-ZIAGYGMSSA-N 1 2 329.360 0.466 20 30 ECEDLO Cc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001076907201 757563754 /nfs/dbraw/zinc/56/37/54/757563754.db2.gz FDKXHWBJZQGGDM-ZIAGYGMSSA-N 1 2 329.360 0.466 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ncccc3O)C2)cc1 ZINC001076917275 757588755 /nfs/dbraw/zinc/58/87/55/757588755.db2.gz WWEAANXXAZZDKM-GDBMZVCRSA-N 1 2 338.367 0.634 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ncccc3O)C2)cc1 ZINC001076917275 757588761 /nfs/dbraw/zinc/58/87/61/757588761.db2.gz WWEAANXXAZZDKM-GDBMZVCRSA-N 1 2 338.367 0.634 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3n[nH]cc3F)nn2)C1 ZINC001107208295 757677634 /nfs/dbraw/zinc/67/76/34/757677634.db2.gz XJZCXHOARFWCAR-UHFFFAOYSA-N 1 2 349.370 0.130 20 30 ECEDLO CC#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001049035066 757751617 /nfs/dbraw/zinc/75/16/17/757751617.db2.gz PIZAUJHCHCLSFM-GJZGRUSLSA-N 1 2 332.404 0.107 20 30 ECEDLO CCn1ncc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)n1 ZINC001076967538 757769374 /nfs/dbraw/zinc/76/93/74/757769374.db2.gz SDWDXCAWERUPQH-HZPDHXFCSA-N 1 2 340.387 0.145 20 30 ECEDLO CCn1ncc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)n1 ZINC001076967538 757769377 /nfs/dbraw/zinc/76/93/77/757769377.db2.gz SDWDXCAWERUPQH-HZPDHXFCSA-N 1 2 340.387 0.145 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)Cn3cc(Cl)cn3)nn2)C1 ZINC001107216044 757796682 /nfs/dbraw/zinc/79/66/82/757796682.db2.gz ULHBCOYEORDEMY-UHFFFAOYSA-N 1 2 335.799 0.487 20 30 ECEDLO C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001049111216 757986330 /nfs/dbraw/zinc/98/63/30/757986330.db2.gz IFXQDZHWRUFCKG-GJZGRUSLSA-N 1 2 334.420 0.349 20 30 ECEDLO CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1O ZINC001049111879 757988788 /nfs/dbraw/zinc/98/87/88/757988788.db2.gz WGUWYMKNBNSOGR-GJZGRUSLSA-N 1 2 346.431 0.042 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)c3cnn(C)c3)nn2)C1 ZINC001107244173 758004898 /nfs/dbraw/zinc/00/48/98/758004898.db2.gz PMOGZQBKYVUNJX-CYBMUJFWSA-N 1 2 341.419 0.312 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H]1C ZINC001011624966 758160091 /nfs/dbraw/zinc/16/00/91/758160091.db2.gz WVIMTISTZGNYEN-WCQYABFASA-N 1 2 340.387 0.880 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001022014321 758162900 /nfs/dbraw/zinc/16/29/00/758162900.db2.gz QVAIQDTYBTUKFE-KLZNWCGWSA-N 1 2 338.411 0.986 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001022014321 758162904 /nfs/dbraw/zinc/16/29/04/758162904.db2.gz QVAIQDTYBTUKFE-KLZNWCGWSA-N 1 2 338.411 0.986 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC001049163746 758186169 /nfs/dbraw/zinc/18/61/69/758186169.db2.gz OMJGOVCFLQRMEM-STQMWFEESA-N 1 2 334.420 0.585 20 30 ECEDLO C[C@@H](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)NC(=O)C#CC1CC1 ZINC001077116607 758228835 /nfs/dbraw/zinc/22/88/35/758228835.db2.gz ULJCDGLINGCHBY-DZGCQCFKSA-N 1 2 328.416 0.870 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001049188347 758252594 /nfs/dbraw/zinc/25/25/94/758252594.db2.gz ISJKONBIOMRUAO-GJZGRUSLSA-N 1 2 346.431 0.042 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001011669414 758257932 /nfs/dbraw/zinc/25/79/32/758257932.db2.gz OVKRFTXYNAVFCO-QMTHXVAHSA-N 1 2 326.360 0.571 20 30 ECEDLO Cc1ncc(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)o1 ZINC001077127692 758264281 /nfs/dbraw/zinc/26/42/81/758264281.db2.gz FPUXAWFKUZXZDL-HUUCEWRRSA-N 1 2 346.412 0.820 20 30 ECEDLO Cc1ncc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)o1 ZINC001077127692 758264290 /nfs/dbraw/zinc/26/42/90/758264290.db2.gz FPUXAWFKUZXZDL-HUUCEWRRSA-N 1 2 346.412 0.820 20 30 ECEDLO C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC001077129197 758269234 /nfs/dbraw/zinc/26/92/34/758269234.db2.gz YKBJXHKBGMTLRT-MGPQQGTHSA-N 1 2 330.450 0.081 20 30 ECEDLO C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC001077129197 758269245 /nfs/dbraw/zinc/26/92/45/758269245.db2.gz YKBJXHKBGMTLRT-MGPQQGTHSA-N 1 2 330.450 0.081 20 30 ECEDLO N#Cc1cnccc1NC/C=C/CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001107390705 758419244 /nfs/dbraw/zinc/41/92/44/758419244.db2.gz YVRNWHCRQZDKCZ-VSZDKKFSSA-N 1 2 336.399 0.919 20 30 ECEDLO N#Cc1cncc(NC/C=C\CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC001107393808 758451642 /nfs/dbraw/zinc/45/16/42/758451642.db2.gz GPCVXBVELNWCIK-UIIMQBOASA-N 1 2 337.387 0.892 20 30 ECEDLO N#Cc1cnc(NC/C=C\CNC(=O)[C@H]2CCc3[nH+]ccn3C2)cn1 ZINC001107394612 758451715 /nfs/dbraw/zinc/45/17/15/758451715.db2.gz NKYIRQAHKCAQSP-FYDYADQUSA-N 1 2 337.387 0.892 20 30 ECEDLO N#Cc1cncc(NC/C=C\CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)n1 ZINC001107395045 758453243 /nfs/dbraw/zinc/45/32/43/758453243.db2.gz UNEBXSFRYCKCIK-UIIMQBOASA-N 1 2 337.387 0.892 20 30 ECEDLO N#Cc1nccc(NC/C=C\CNC(=O)c2cccc3[nH+]ccn32)n1 ZINC001107410940 758514788 /nfs/dbraw/zinc/51/47/88/758514788.db2.gz AXTKONWUFSOJIB-UPHRSURJSA-N 1 2 333.355 0.816 20 30 ECEDLO Cn1cc(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)c2c[nH]c(C#N)c2)nn1 ZINC001049430096 758681325 /nfs/dbraw/zinc/68/13/25/758681325.db2.gz AAVHUBQRJYIJPL-HZPDHXFCSA-N 1 2 339.403 0.894 20 30 ECEDLO Cn1cc(C[N@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)c2c[nH]c(C#N)c2)nn1 ZINC001049430096 758681329 /nfs/dbraw/zinc/68/13/29/758681329.db2.gz AAVHUBQRJYIJPL-HZPDHXFCSA-N 1 2 339.403 0.894 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001011849789 758755471 /nfs/dbraw/zinc/75/54/71/758755471.db2.gz TZFRRUIHLLBRIC-HIFRSBDPSA-N 1 2 332.404 0.523 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@H]2C)nn1 ZINC001011857693 758782921 /nfs/dbraw/zinc/78/29/21/758782921.db2.gz VGSRNUJSILFLAR-QWHCGFSZSA-N 1 2 343.391 0.080 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3[nH]c(C)cc3C)[C@@H](O)C2)C1=O ZINC001083572915 758845504 /nfs/dbraw/zinc/84/55/04/758845504.db2.gz NCDPKSJFVOWJNQ-KFWWJZLASA-N 1 2 346.431 0.193 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3[nH]c(C)cc3C)[C@@H](O)C2)C1=O ZINC001083572915 758845514 /nfs/dbraw/zinc/84/55/14/758845514.db2.gz NCDPKSJFVOWJNQ-KFWWJZLASA-N 1 2 346.431 0.193 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3cc(OC)ccn32)C1 ZINC001077388298 758962108 /nfs/dbraw/zinc/96/21/08/758962108.db2.gz WTIHOLWUTJRBER-UKRRQHHQSA-N 1 2 328.372 0.141 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3cc(OC)ccn32)C1 ZINC001077388298 758962114 /nfs/dbraw/zinc/96/21/14/758962114.db2.gz WTIHOLWUTJRBER-UKRRQHHQSA-N 1 2 328.372 0.141 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H]1C ZINC001011940840 759009250 /nfs/dbraw/zinc/00/92/50/759009250.db2.gz RRJHOWLRPVSYAR-WCQYABFASA-N 1 2 340.387 0.880 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001022752134 759082801 /nfs/dbraw/zinc/08/28/01/759082801.db2.gz VZPSDEDDNAXSOY-JJXSEGSLSA-N 1 2 344.415 0.534 20 30 ECEDLO C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001049831951 759268632 /nfs/dbraw/zinc/26/86/32/759268632.db2.gz RMGXBKUVDHSUPZ-ARFHVFGLSA-N 1 2 338.473 0.900 20 30 ECEDLO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001049831951 759268637 /nfs/dbraw/zinc/26/86/37/759268637.db2.gz RMGXBKUVDHSUPZ-ARFHVFGLSA-N 1 2 338.473 0.900 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)c1 ZINC001012053485 759297634 /nfs/dbraw/zinc/29/76/34/759297634.db2.gz XZIGPZUXFMYARQ-CZUORRHYSA-N 1 2 337.383 0.679 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2[nH]ccc2C)[C@H](OC)C1 ZINC001212199133 767856652 /nfs/dbraw/zinc/85/66/52/767856652.db2.gz QTBRLZSXQQOEJG-BFHYXJOUSA-N 1 2 334.420 0.443 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2[nH]ccc2C)[C@H](OC)C1 ZINC001212199133 767856658 /nfs/dbraw/zinc/85/66/58/767856658.db2.gz QTBRLZSXQQOEJG-BFHYXJOUSA-N 1 2 334.420 0.443 20 30 ECEDLO N#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001049908304 759391968 /nfs/dbraw/zinc/39/19/68/759391968.db2.gz HNOCLSVMZXBRJI-BBWFWOEESA-N 1 2 332.448 0.686 20 30 ECEDLO C#CCOCCC(=O)NCC[NH2+]Cc1nc(-c2ccccc2)no1 ZINC001127023740 759513691 /nfs/dbraw/zinc/51/36/91/759513691.db2.gz QJAGUFZJAKZSNA-UHFFFAOYSA-N 1 2 328.372 0.982 20 30 ECEDLO C#CC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC001050178130 759873103 /nfs/dbraw/zinc/87/31/03/759873103.db2.gz ZKBBOVXQJJOYHG-HRCADAONSA-N 1 2 338.473 0.757 20 30 ECEDLO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC001050178130 759873113 /nfs/dbraw/zinc/87/31/13/759873113.db2.gz ZKBBOVXQJJOYHG-HRCADAONSA-N 1 2 338.473 0.757 20 30 ECEDLO CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](OC)C1 ZINC001212138987 759944941 /nfs/dbraw/zinc/94/49/41/759944941.db2.gz MVWOYWNSVDCZSF-NILFDRSVSA-N 1 2 347.419 0.230 20 30 ECEDLO CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](OC)C1 ZINC001212138987 759944948 /nfs/dbraw/zinc/94/49/48/759944948.db2.gz MVWOYWNSVDCZSF-NILFDRSVSA-N 1 2 347.419 0.230 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H]([C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001050304067 760090597 /nfs/dbraw/zinc/09/05/97/760090597.db2.gz MJDPKCUSTTVOAX-KGLIPLIRSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H]([C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001050304067 760090607 /nfs/dbraw/zinc/09/06/07/760090607.db2.gz MJDPKCUSTTVOAX-KGLIPLIRSA-N 1 2 334.420 0.898 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnc3cc(OC)ccn32)[C@@H](O)C1 ZINC001083642222 760210327 /nfs/dbraw/zinc/21/03/27/760210327.db2.gz WTIHOLWUTJRBER-HIFRSBDPSA-N 1 2 328.372 0.141 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3cc(OC)ccn32)[C@@H](O)C1 ZINC001083642222 760210336 /nfs/dbraw/zinc/21/03/36/760210336.db2.gz WTIHOLWUTJRBER-HIFRSBDPSA-N 1 2 328.372 0.141 20 30 ECEDLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001050414755 760242790 /nfs/dbraw/zinc/24/27/90/760242790.db2.gz ZECJRIHXUQQLSX-WCQYABFASA-N 1 2 340.387 0.819 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)C(C)(F)F)nn2)C1 ZINC001107114971 760278278 /nfs/dbraw/zinc/27/82/78/760278278.db2.gz RUGJGRKMSXLGOH-UHFFFAOYSA-N 1 2 329.351 0.609 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(c2cncc(C#N)n2)[C@@H]1C ZINC001050502908 760377962 /nfs/dbraw/zinc/37/79/62/760377962.db2.gz RUUXZVQAKZUNSB-YPMHNXCESA-N 1 2 325.376 0.706 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3cc(C)no3)nn2)C1 ZINC001107125237 760489573 /nfs/dbraw/zinc/48/95/73/760489573.db2.gz PMNSXZZXKPACIT-UHFFFAOYSA-N 1 2 346.391 0.564 20 30 ECEDLO C[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2CNc2cnc(C#N)cn2)C1 ZINC001060225679 760499868 /nfs/dbraw/zinc/49/98/68/760499868.db2.gz XAVVNVMPPAVONR-CABCVRRESA-N 1 2 344.419 0.472 20 30 ECEDLO C[N@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2CNc2cnc(C#N)cn2)C1 ZINC001060225679 760499875 /nfs/dbraw/zinc/49/98/75/760499875.db2.gz XAVVNVMPPAVONR-CABCVRRESA-N 1 2 344.419 0.472 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CNc1ccncc1C#N ZINC001054426255 767970252 /nfs/dbraw/zinc/97/02/52/767970252.db2.gz SBPZHYOPBUBNDT-UKRRQHHQSA-N 1 2 338.415 0.858 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)c2cn(C)nc2CC)C1=O ZINC001038384580 760715564 /nfs/dbraw/zinc/71/55/64/760715564.db2.gz NYYDRWOGQRUHBS-CJNGLKHVSA-N 1 2 345.447 0.574 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)c2cn(C)nc2CC)C1=O ZINC001038384580 760715574 /nfs/dbraw/zinc/71/55/74/760715574.db2.gz NYYDRWOGQRUHBS-CJNGLKHVSA-N 1 2 345.447 0.574 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001050735441 760755750 /nfs/dbraw/zinc/75/57/50/760755750.db2.gz KGXUEPIIMMUTSE-CABCVRRESA-N 1 2 346.431 0.735 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001050735441 760755757 /nfs/dbraw/zinc/75/57/57/760755757.db2.gz KGXUEPIIMMUTSE-CABCVRRESA-N 1 2 346.431 0.735 20 30 ECEDLO C=CCO[C@H](C)C(=O)NCC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001060235190 760806462 /nfs/dbraw/zinc/80/64/62/760806462.db2.gz KEGWGZJZNCPXNZ-ZIAGYGMSSA-N 1 2 334.420 0.898 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2[nH]cc[nH+]2)c1 ZINC000996017029 760962688 /nfs/dbraw/zinc/96/26/88/760962688.db2.gz JVOQOIMWCLVIHQ-DYEKYZERSA-N 1 2 338.371 0.714 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cn1cc[nH+]c1 ZINC001013030666 760974359 /nfs/dbraw/zinc/97/43/59/760974359.db2.gz HGZIKSNRCDTQII-SMDDNHRTSA-N 1 2 326.360 0.502 20 30 ECEDLO N#Cc1nccc(NC[C@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)n1 ZINC001060246641 761003805 /nfs/dbraw/zinc/00/38/05/761003805.db2.gz MINRCTSLGGQGEM-CYBMUJFWSA-N 1 2 339.403 0.919 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn(CCOC)nn1 ZINC001050911124 761124871 /nfs/dbraw/zinc/12/48/71/761124871.db2.gz PEPLGGPZRAVMTN-AWEZNQCLSA-N 1 2 337.424 0.321 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn(CCOC)nn1 ZINC001050911124 761124877 /nfs/dbraw/zinc/12/48/77/761124877.db2.gz PEPLGGPZRAVMTN-AWEZNQCLSA-N 1 2 337.424 0.321 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2ncncc2C1 ZINC001050953179 761210412 /nfs/dbraw/zinc/21/04/12/761210412.db2.gz ZHTJJQYZUIWBEU-ZBFHGGJFSA-N 1 2 330.432 0.975 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2ncncc2C1 ZINC001050953179 761210415 /nfs/dbraw/zinc/21/04/15/761210415.db2.gz ZHTJJQYZUIWBEU-ZBFHGGJFSA-N 1 2 330.432 0.975 20 30 ECEDLO C=CCOCC(=O)N[C@H](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001050993530 761289548 /nfs/dbraw/zinc/28/95/48/761289548.db2.gz NPGWSBFLGJRWNF-KGLIPLIRSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCOCC(=O)N[C@H](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001050993530 761289550 /nfs/dbraw/zinc/28/95/50/761289550.db2.gz NPGWSBFLGJRWNF-KGLIPLIRSA-N 1 2 334.420 0.898 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)CCn1cc[nH+]c1 ZINC001013406575 761373697 /nfs/dbraw/zinc/37/36/97/761373697.db2.gz NKGPKCLSOKWMTP-GXTWGEPZSA-N 1 2 340.387 0.892 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1COCCN1CCCC ZINC001051043979 761382805 /nfs/dbraw/zinc/38/28/05/761382805.db2.gz NNPRUDSNDKBODP-DLBZAZTESA-N 1 2 339.480 0.880 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1COCCN1CCCC ZINC001051043979 761382814 /nfs/dbraw/zinc/38/28/14/761382814.db2.gz NNPRUDSNDKBODP-DLBZAZTESA-N 1 2 339.480 0.880 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cncc(-n2ccnn2)c1 ZINC001051046334 761387232 /nfs/dbraw/zinc/38/72/32/761387232.db2.gz MOCQEKPDKFNSEV-INIZCTEOSA-N 1 2 342.403 0.669 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cncc(-n2ccnn2)c1 ZINC001051046334 761387241 /nfs/dbraw/zinc/38/72/41/761387241.db2.gz MOCQEKPDKFNSEV-INIZCTEOSA-N 1 2 342.403 0.669 20 30 ECEDLO C[C@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001054543773 768036616 /nfs/dbraw/zinc/03/66/16/768036616.db2.gz QYSJZAITVISQMI-RJZRQDKASA-N 1 2 329.404 0.998 20 30 ECEDLO N#Cc1cc(C(=O)NCc2cccc3c2CC[N@@H+](CC(N)=O)C3)c[nH]1 ZINC001051285671 761826621 /nfs/dbraw/zinc/82/66/21/761826621.db2.gz RMPAEEVCDLCJKV-UHFFFAOYSA-N 1 2 337.383 0.660 20 30 ECEDLO N#Cc1cc(C(=O)NCc2cccc3c2CC[N@H+](CC(N)=O)C3)c[nH]1 ZINC001051285671 761826625 /nfs/dbraw/zinc/82/66/25/761826625.db2.gz RMPAEEVCDLCJKV-UHFFFAOYSA-N 1 2 337.383 0.660 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)/C=C/c2ccc[nH]2)[C@H](OC)C1 ZINC001212175093 762708413 /nfs/dbraw/zinc/70/84/13/762708413.db2.gz GJDSSJOIYONAPN-VVTOVXDBSA-N 1 2 346.431 0.534 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)/C=C/c2ccc[nH]2)[C@H](OC)C1 ZINC001212175093 762708419 /nfs/dbraw/zinc/70/84/19/762708419.db2.gz GJDSSJOIYONAPN-VVTOVXDBSA-N 1 2 346.431 0.534 20 30 ECEDLO Cc1ccc(C#N)c(N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](O)C2)n1 ZINC001051790826 762974804 /nfs/dbraw/zinc/97/48/04/762974804.db2.gz YLPOZWGYYURQMI-CABCVRRESA-N 1 2 340.387 0.283 20 30 ECEDLO Cn1cnc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1=O ZINC001014785205 763150166 /nfs/dbraw/zinc/15/01/66/763150166.db2.gz MESPBSSAQGGRNT-OAHLLOKOSA-N 1 2 337.383 0.656 20 30 ECEDLO Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cc1=O ZINC001014785205 763150170 /nfs/dbraw/zinc/15/01/70/763150170.db2.gz MESPBSSAQGGRNT-OAHLLOKOSA-N 1 2 337.383 0.656 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001014883769 763366322 /nfs/dbraw/zinc/36/63/22/763366322.db2.gz XWUABVSDNJDZSW-DGCLKSJQSA-N 1 2 340.387 0.961 20 30 ECEDLO C=CCn1cccc1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCC1(F)F ZINC001046947089 763438005 /nfs/dbraw/zinc/43/80/05/763438005.db2.gz FLXIDYMWSZGUQP-GFCCVEGCSA-N 1 2 340.374 0.846 20 30 ECEDLO C=CCn1cccc1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCC1(F)F ZINC001046947089 763438014 /nfs/dbraw/zinc/43/80/14/763438014.db2.gz FLXIDYMWSZGUQP-GFCCVEGCSA-N 1 2 340.374 0.846 20 30 ECEDLO Cn1c(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)c[nH]c1=O ZINC001031899354 763446204 /nfs/dbraw/zinc/44/62/04/763446204.db2.gz YFQAJONRHUTPJH-UHFFFAOYSA-N 1 2 343.362 0.998 20 30 ECEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]2C(N)=O)C1 ZINC001031899791 763448535 /nfs/dbraw/zinc/44/85/35/763448535.db2.gz VEDSCSJKTACYLI-HOTGVXAUSA-N 1 2 326.400 0.618 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C)nn3C)C2)CC1 ZINC001051994466 763540802 /nfs/dbraw/zinc/54/08/02/763540802.db2.gz YASVHSMGZXLYTC-INIZCTEOSA-N 1 2 329.448 0.584 20 30 ECEDLO CCc1nnc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)o1 ZINC001051997829 763548473 /nfs/dbraw/zinc/54/84/73/763548473.db2.gz JFGUMWHSBJSDAS-UONOGXRCSA-N 1 2 346.435 0.510 20 30 ECEDLO Cc1cc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)nn1C ZINC001051998120 763549840 /nfs/dbraw/zinc/54/98/40/763549840.db2.gz NKVKZXUUTCLWAH-RHSMWYFYSA-N 1 2 344.463 0.607 20 30 ECEDLO CCn1nncc1CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001051998476 763551169 /nfs/dbraw/zinc/55/11/69/763551169.db2.gz UUUDGEALQVJKIR-GJZGRUSLSA-N 1 2 345.451 0.176 20 30 ECEDLO CCn1ncc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)n1 ZINC001051998639 763552961 /nfs/dbraw/zinc/55/29/61/763552961.db2.gz WZPUOGZVJJDZDT-GOEBONIOSA-N 1 2 345.451 0.176 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccn(C)n3)C2)CC1 ZINC001052025180 763615785 /nfs/dbraw/zinc/61/57/85/763615785.db2.gz ZVDLGLWDPRHTJO-QGZVFWFLSA-N 1 2 329.448 0.204 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc(N(C)C)cn3)C2)CC1 ZINC001052027576 763622767 /nfs/dbraw/zinc/62/27/67/763622767.db2.gz HPMLCHIWNBOLGZ-HNNXBMFYSA-N 1 2 344.463 0.561 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc(N(C)C)cn3)C2)CC1 ZINC001052029103 763624781 /nfs/dbraw/zinc/62/47/81/763624781.db2.gz XLFLDLGZGGJEHT-HNNXBMFYSA-N 1 2 342.447 0.008 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnc(N(C)C)cn3)C2)CC1 ZINC001052029103 763624789 /nfs/dbraw/zinc/62/47/89/763624789.db2.gz XLFLDLGZGGJEHT-HNNXBMFYSA-N 1 2 342.447 0.008 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc4n[nH]cc4c3)C2)CC1 ZINC001052040431 763661088 /nfs/dbraw/zinc/66/10/88/763661088.db2.gz FUSFMTJVEDRQDK-OAHLLOKOSA-N 1 2 339.403 0.314 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1nnn(C(C)(C)C)n1 ZINC001017583421 768152787 /nfs/dbraw/zinc/15/27/87/768152787.db2.gz YARISQIZOOBGKP-OKILXGFUSA-N 1 2 330.436 0.669 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1nnn(C(C)(C)C)n1 ZINC001017583421 768152791 /nfs/dbraw/zinc/15/27/91/768152791.db2.gz YARISQIZOOBGKP-OKILXGFUSA-N 1 2 330.436 0.669 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C2)CC1 ZINC001052047799 763692892 /nfs/dbraw/zinc/69/28/92/763692892.db2.gz AQFLOBLHMOTTPQ-HOTGVXAUSA-N 1 2 334.464 0.307 20 30 ECEDLO Cc1nc(C)c(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)nc1C ZINC001052048857 763699412 /nfs/dbraw/zinc/69/94/12/763699412.db2.gz DTFAUCWYHVUXDR-INIZCTEOSA-N 1 2 342.447 0.758 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ncc(OC)cn3)C2)CC1 ZINC001052049156 763700395 /nfs/dbraw/zinc/70/03/95/763700395.db2.gz IHTNAHSMLAMUNE-OAHLLOKOSA-N 1 2 343.431 0.341 20 30 ECEDLO N#Cc1cnccc1NC[C@@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC001106018286 763727412 /nfs/dbraw/zinc/72/74/12/763727412.db2.gz UPBATHMWXRVILW-CYBMUJFWSA-N 1 2 336.355 0.226 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3coc(C(N)=O)c3)C2)CC1 ZINC001052057013 763729887 /nfs/dbraw/zinc/72/98/87/763729887.db2.gz JQOMCDILWPWSMJ-CQSZACIVSA-N 1 2 332.404 0.397 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)C[C@H]3CCC(=O)N3C)C2)CC1 ZINC001052061272 763744598 /nfs/dbraw/zinc/74/45/98/763744598.db2.gz VRFWPTGWQXQXDI-SJORKVTESA-N 1 2 348.491 0.792 20 30 ECEDLO C=CCN1CC[C@@H](N2CC(NC(=O)C(C)(C)n3c[nH+]c(C)c3)C2)C1=O ZINC001030514282 763756599 /nfs/dbraw/zinc/75/65/99/763756599.db2.gz MDTCSYYVOMUSAF-OAHLLOKOSA-N 1 2 345.447 0.514 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)c3cncnc3)C2)CC1 ZINC001052070007 763767124 /nfs/dbraw/zinc/76/71/24/763767124.db2.gz ATANYZVGIQEMAH-DOTOQJQBSA-N 1 2 327.432 0.432 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCCCC(=O)N3)C2)CC1 ZINC001052079246 763792008 /nfs/dbraw/zinc/79/20/08/763792008.db2.gz HBMGVWZCZGWDKU-DLBZAZTESA-N 1 2 348.491 0.840 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)c3c[nH]c(=O)cc3C)C2)CC1 ZINC001052081424 763799535 /nfs/dbraw/zinc/79/95/35/763799535.db2.gz MGYNAHBYGKAMFN-MRXNPFEDSA-N 1 2 342.443 0.951 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)CCc3cnn(C)n3)C2)CC1 ZINC001052084318 763808723 /nfs/dbraw/zinc/80/87/23/763808723.db2.gz VDKDNIJFXWGNDC-QGZVFWFLSA-N 1 2 346.479 0.542 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CCC(C)CC3)C2)CC1 ZINC001052092800 763835294 /nfs/dbraw/zinc/83/52/94/763835294.db2.gz DQBOLGFGWLNUQV-QGZVFWFLSA-N 1 2 346.475 0.097 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C(=O)N3CCC(C)CC3)C2)CC1 ZINC001052092800 763835302 /nfs/dbraw/zinc/83/53/02/763835302.db2.gz DQBOLGFGWLNUQV-QGZVFWFLSA-N 1 2 346.475 0.097 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)Cc3ncc[nH]3)C2)CC1 ZINC001052100838 763861525 /nfs/dbraw/zinc/86/15/25/763861525.db2.gz IYHMIZWIGSGMPM-AWEZNQCLSA-N 1 2 337.855 0.923 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn(CCC)nn3)C2)CC1 ZINC001052102377 763866564 /nfs/dbraw/zinc/86/65/64/763866564.db2.gz FKFYLRRKLRYFPV-MRXNPFEDSA-N 1 2 344.463 0.544 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)C2)CC1 ZINC001052105308 763875382 /nfs/dbraw/zinc/87/53/82/763875382.db2.gz HVVJZMIJRBTVNR-IAGOWNOFSA-N 1 2 346.475 0.097 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cccc(OC)n3)C2)CC1 ZINC001052105154 763876152 /nfs/dbraw/zinc/87/61/52/763876152.db2.gz GIRCJQBSWUXQPT-INIZCTEOSA-N 1 2 342.443 0.946 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccc(OC)n3)C2)CC1 ZINC001052105154 763876165 /nfs/dbraw/zinc/87/61/65/763876165.db2.gz GIRCJQBSWUXQPT-INIZCTEOSA-N 1 2 342.443 0.946 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(OC)nn3)C2)CC1 ZINC001052105970 763878270 /nfs/dbraw/zinc/87/82/70/763878270.db2.gz XKPPFLDAMUKWHK-CQSZACIVSA-N 1 2 331.420 0.503 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn(CC4CC4)c3)C2)CC1 ZINC001052105994 763878365 /nfs/dbraw/zinc/87/83/65/763878365.db2.gz YHYHZCPZWHXDFM-SFHVURJKSA-N 1 2 341.459 0.758 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)C2)CC1 ZINC001052106970 763882946 /nfs/dbraw/zinc/88/29/46/763882946.db2.gz YFYCVVAKDKRUSP-WBVHZDCISA-N 1 2 343.475 0.919 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccn(C)c3=O)C2)CC1 ZINC001052109633 763895986 /nfs/dbraw/zinc/89/59/86/763895986.db2.gz DSVCEEPRCPHWCL-MRXNPFEDSA-N 1 2 342.443 0.241 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3Cc4cccnc4C3)C2)CC1 ZINC001052112772 763908299 /nfs/dbraw/zinc/90/82/99/763908299.db2.gz DAIHLSKDHZTNEJ-QZTJIDSGSA-N 1 2 338.455 0.648 20 30 ECEDLO CN(C(=O)[C@@H]1CCCO1)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047295172 763911979 /nfs/dbraw/zinc/91/19/79/763911979.db2.gz IWOXVSBOFFFZHF-BZSNNMDCSA-N 1 2 328.412 0.721 20 30 ECEDLO CN(C(=O)[C@@H]1CCCO1)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047295172 763911986 /nfs/dbraw/zinc/91/19/86/763911986.db2.gz IWOXVSBOFFFZHF-BZSNNMDCSA-N 1 2 328.412 0.721 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)Cn3ccccc3=O)C2)CC1 ZINC001052117774 763929779 /nfs/dbraw/zinc/92/97/79/763929779.db2.gz ZXHSUQYZUYSKQO-QGZVFWFLSA-N 1 2 344.459 0.643 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(C(N)=O)ccn3)C2)CC1 ZINC001052130748 763963151 /nfs/dbraw/zinc/96/31/51/763963151.db2.gz BTDZOPOFQCQYDH-OAHLLOKOSA-N 1 2 343.431 0.199 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001031987812 763998144 /nfs/dbraw/zinc/99/81/44/763998144.db2.gz AECQKTNOHZHSKM-YUELXQCFSA-N 1 2 342.461 0.060 20 30 ECEDLO CN(C(=O)Cc1ccon1)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047326280 764004933 /nfs/dbraw/zinc/00/49/33/764004933.db2.gz RFNNQBFNARGEKW-GJZGRUSLSA-N 1 2 346.412 0.854 20 30 ECEDLO CN(C(=O)Cc1ccon1)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047326280 764004943 /nfs/dbraw/zinc/00/49/43/764004943.db2.gz RFNNQBFNARGEKW-GJZGRUSLSA-N 1 2 346.412 0.854 20 30 ECEDLO C=CCOCC(=O)N1C[C@H](C)[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001052219840 764077710 /nfs/dbraw/zinc/07/77/10/764077710.db2.gz DONBNDRCBPUTLJ-KBPBESRZSA-N 1 2 334.420 0.376 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1C(=O)c1cc(C#N)c[nH]1 ZINC001015177591 764080054 /nfs/dbraw/zinc/08/00/54/764080054.db2.gz VVGUHWQLTZEYSG-DGCLKSJQSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@H](c1nnnn1C)[N@@H+]1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001052289728 764200542 /nfs/dbraw/zinc/20/05/42/764200542.db2.gz DTWRWABDZZXDIL-DGCLKSJQSA-N 1 2 342.407 0.755 20 30 ECEDLO C[C@H](c1nnnn1C)[N@H+]1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001052289728 764200547 /nfs/dbraw/zinc/20/05/47/764200547.db2.gz DTWRWABDZZXDIL-DGCLKSJQSA-N 1 2 342.407 0.755 20 30 ECEDLO Cn1[nH]c(C[N@@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)CC2)nc1=O ZINC001052320761 764245099 /nfs/dbraw/zinc/24/50/99/764245099.db2.gz VPMGGSNJOFIBPD-NSHDSACASA-N 1 2 343.391 0.093 20 30 ECEDLO Cn1[nH]c(C[N@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)CC2)nc1=O ZINC001052320761 764245104 /nfs/dbraw/zinc/24/51/04/764245104.db2.gz VPMGGSNJOFIBPD-NSHDSACASA-N 1 2 343.391 0.093 20 30 ECEDLO CC#CCCCC(=O)NC[C@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001106063256 764248020 /nfs/dbraw/zinc/24/80/20/764248020.db2.gz XBJLHYDAJCYFAN-LBPRGKRZSA-N 1 2 330.392 0.446 20 30 ECEDLO C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1CN(c1nccnc1C#N)C2 ZINC001052380824 764372671 /nfs/dbraw/zinc/37/26/71/764372671.db2.gz YFJVQFKFWQQSAQ-SUMWQHHRSA-N 1 2 337.387 0.530 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3conc3COC)C2)nn1 ZINC001098767124 764597126 /nfs/dbraw/zinc/59/71/26/764597126.db2.gz JJCUHMYVQCRESF-ZDUSSCGKSA-N 1 2 344.375 0.223 20 30 ECEDLO C=CCC1(C(=O)NC[C@H](O)CNc2[nH+]cnc3c2cnn3C)CCC1 ZINC001106079249 764657829 /nfs/dbraw/zinc/65/78/29/764657829.db2.gz YJIRMKDWULVYQU-GFCCVEGCSA-N 1 2 344.419 0.999 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC001015452295 764673723 /nfs/dbraw/zinc/67/37/23/764673723.db2.gz LXEUOMZCAOKDBV-GFCCVEGCSA-N 1 2 335.795 0.439 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC001015452295 764673734 /nfs/dbraw/zinc/67/37/34/764673734.db2.gz LXEUOMZCAOKDBV-GFCCVEGCSA-N 1 2 335.795 0.439 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NC[C@H](O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106079808 764687102 /nfs/dbraw/zinc/68/71/02/764687102.db2.gz CCFVKEFEVLFVJI-LRDDRELGSA-N 1 2 336.440 0.737 20 30 ECEDLO C=CCCC1(C(=O)NC[C@@H](O)CNc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC001106079998 764689840 /nfs/dbraw/zinc/68/98/40/764689840.db2.gz GPHJFEKDEFBZSR-CYBMUJFWSA-N 1 2 348.451 0.881 20 30 ECEDLO C=CCN1CC[C@@H](N2CC(NC(=O)c3cccc4[nH+]ccn43)C2)C1=O ZINC001030671492 764690038 /nfs/dbraw/zinc/69/00/38/764690038.db2.gz WDCBZYBCTMQLMW-OAHLLOKOSA-N 1 2 339.399 0.535 20 30 ECEDLO C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]cc2Br)C1 ZINC001047567828 764713175 /nfs/dbraw/zinc/71/31/75/764713175.db2.gz XSXWMYWJTMZGOV-QWRGUYRKSA-N 1 2 343.225 0.865 20 30 ECEDLO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]cc2Br)C1 ZINC001047567828 764713181 /nfs/dbraw/zinc/71/31/81/764713181.db2.gz XSXWMYWJTMZGOV-QWRGUYRKSA-N 1 2 343.225 0.865 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)[C@@H]1C ZINC001088988273 764713382 /nfs/dbraw/zinc/71/33/82/764713382.db2.gz NFDMRVKQXJWVAC-OCCSQVGLSA-N 1 2 330.388 0.032 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](CC(=O)NC)[C@@H]1C ZINC001088988273 764713390 /nfs/dbraw/zinc/71/33/90/764713390.db2.gz NFDMRVKQXJWVAC-OCCSQVGLSA-N 1 2 330.388 0.032 20 30 ECEDLO C=CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001047581013 764765284 /nfs/dbraw/zinc/76/52/84/764765284.db2.gz FKFHFUIILPYYTE-HOTGVXAUSA-N 1 2 327.388 0.570 20 30 ECEDLO N#CCN1CCC[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001052593996 764817300 /nfs/dbraw/zinc/81/73/00/764817300.db2.gz IFMAPUZNNSECFL-SJORKVTESA-N 1 2 334.464 0.982 20 30 ECEDLO N#CCN1CCC[C@@H](NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001052593996 764817306 /nfs/dbraw/zinc/81/73/06/764817306.db2.gz IFMAPUZNNSECFL-SJORKVTESA-N 1 2 334.464 0.982 20 30 ECEDLO N#CCN1CCC[C@H](NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001052593989 764817375 /nfs/dbraw/zinc/81/73/75/764817375.db2.gz IFMAPUZNNSECFL-DLBZAZTESA-N 1 2 334.464 0.982 20 30 ECEDLO N#CCN1CCC[C@H](NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001052593989 764817380 /nfs/dbraw/zinc/81/73/80/764817380.db2.gz IFMAPUZNNSECFL-DLBZAZTESA-N 1 2 334.464 0.982 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(Br)o2)C1 ZINC001047608116 764866870 /nfs/dbraw/zinc/86/68/70/764866870.db2.gz LJSIUOONIHGTBY-UWVGGRQHSA-N 1 2 327.178 0.792 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(Br)o2)C1 ZINC001047608116 764866879 /nfs/dbraw/zinc/86/68/79/764866879.db2.gz LJSIUOONIHGTBY-UWVGGRQHSA-N 1 2 327.178 0.792 20 30 ECEDLO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC001015544780 764922698 /nfs/dbraw/zinc/92/26/98/764922698.db2.gz HAXKVRQDQUHAOM-CQSZACIVSA-N 1 2 328.351 0.205 20 30 ECEDLO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC001015544780 764922703 /nfs/dbraw/zinc/92/27/03/764922703.db2.gz HAXKVRQDQUHAOM-CQSZACIVSA-N 1 2 328.351 0.205 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cc(F)ncn2)C1 ZINC001052727912 765049011 /nfs/dbraw/zinc/04/90/11/765049011.db2.gz QDXCCGMLWKDXDM-IJLUTSLNSA-N 1 2 343.366 0.915 20 30 ECEDLO C=CCC[N@@H+]1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001052799733 765142713 /nfs/dbraw/zinc/14/27/13/765142713.db2.gz UGJWTWQYRBGPKL-ZDUSSCGKSA-N 1 2 344.419 0.618 20 30 ECEDLO C=CCC[N@H+]1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001052799733 765142716 /nfs/dbraw/zinc/14/27/16/765142716.db2.gz UGJWTWQYRBGPKL-ZDUSSCGKSA-N 1 2 344.419 0.618 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(N2CCCC2)n1 ZINC001017676822 768283137 /nfs/dbraw/zinc/28/31/37/768283137.db2.gz QBHHUSQAPLPFRG-GASCZTMLSA-N 1 2 325.416 0.999 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(N2CCCC2)n1 ZINC001017676822 768283139 /nfs/dbraw/zinc/28/31/39/768283139.db2.gz QBHHUSQAPLPFRG-GASCZTMLSA-N 1 2 325.416 0.999 20 30 ECEDLO C=CCOCC(=O)NC[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001053109528 765590004 /nfs/dbraw/zinc/59/00/04/765590004.db2.gz QYPCMLZPPFKTFB-JSGCOSHPSA-N 1 2 334.420 0.674 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](CNC(=O)CSCC#N)[C@H](C)C1 ZINC001053110008 765591803 /nfs/dbraw/zinc/59/18/03/765591803.db2.gz XBBPOHFUAXWYSO-DGCLKSJQSA-N 1 2 349.460 0.728 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001016018977 765725796 /nfs/dbraw/zinc/72/57/96/765725796.db2.gz MWACOPQTZAKCIK-QWHCGFSZSA-N 1 2 330.388 0.032 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001016018977 765725801 /nfs/dbraw/zinc/72/58/01/765725801.db2.gz MWACOPQTZAKCIK-QWHCGFSZSA-N 1 2 330.388 0.032 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCOC2(C[NH+](C[C@@H](O)Cc3ccccc3)C2)C1 ZINC001053192188 765740828 /nfs/dbraw/zinc/74/08/28/765740828.db2.gz XPPZVGNFDKZOAT-RDJZCZTQSA-N 1 2 343.427 0.663 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cc(Cl)no3)C2)C1=O ZINC001016057074 765750726 /nfs/dbraw/zinc/75/07/26/765750726.db2.gz SADFNTCERAQZPF-WDEREUQCSA-N 1 2 338.795 0.919 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cc(Cl)no3)C2)C1=O ZINC001016057074 765750729 /nfs/dbraw/zinc/75/07/29/765750729.db2.gz SADFNTCERAQZPF-WDEREUQCSA-N 1 2 338.795 0.919 20 30 ECEDLO N#Cc1nccc(N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)Cc2c[nH+]c[nH]2)C3)n1 ZINC001054844257 768320756 /nfs/dbraw/zinc/32/07/56/768320756.db2.gz NBOCCGDJVCHNKK-SCRDCRAPSA-N 1 2 337.387 0.527 20 30 ECEDLO Cn1c[nH+]cc1CN1CC2(C1)CN(C(=O)c1ccc(C#N)[nH]1)CCO2 ZINC001053224157 765787517 /nfs/dbraw/zinc/78/75/17/765787517.db2.gz NQEHELITXPJXOF-UHFFFAOYSA-N 1 2 340.387 0.347 20 30 ECEDLO Cn1nc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)ccc1=O ZINC001016181888 765876062 /nfs/dbraw/zinc/87/60/62/765876062.db2.gz KSKHIPRMSLLUKL-OAHLLOKOSA-N 1 2 337.383 0.656 20 30 ECEDLO Cn1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)ccc1=O ZINC001016181888 765876069 /nfs/dbraw/zinc/87/60/69/765876069.db2.gz KSKHIPRMSLLUKL-OAHLLOKOSA-N 1 2 337.383 0.656 20 30 ECEDLO C=C(C)CN1CC2(C1)CN(C(=O)[C@H]1CCn3c[nH+]cc3C1)CCO2 ZINC001053312157 765950531 /nfs/dbraw/zinc/95/05/31/765950531.db2.gz HWIGCRMMNCMULA-HNNXBMFYSA-N 1 2 330.432 0.935 20 30 ECEDLO CC#CCN1CC2(C1)CN(C(=O)[C@H]1CCc3[nH+]ccn3C1)CCO2 ZINC001053314890 765955471 /nfs/dbraw/zinc/95/54/71/765955471.db2.gz YFXAZIHXXKJDFN-HNNXBMFYSA-N 1 2 328.416 0.382 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc(C)c(C(N)=O)cn1)CCO2 ZINC001053439218 766135171 /nfs/dbraw/zinc/13/51/71/766135171.db2.gz AUWZLAQGBODLEY-UHFFFAOYSA-N 1 2 344.415 0.592 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1)CCO2 ZINC001053452718 766159319 /nfs/dbraw/zinc/15/93/19/766159319.db2.gz CBYPBOSCMUNEAW-HUUCEWRRSA-N 1 2 335.448 0.767 20 30 ECEDLO Cn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)n(C)c1=O ZINC001016355043 766175675 /nfs/dbraw/zinc/17/56/75/766175675.db2.gz SAPDUABHIIMHHX-OAHLLOKOSA-N 1 2 339.399 0.600 20 30 ECEDLO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)n(C)c1=O ZINC001016355043 766175676 /nfs/dbraw/zinc/17/56/76/766175676.db2.gz SAPDUABHIIMHHX-OAHLLOKOSA-N 1 2 339.399 0.600 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCCN1C(N)=O)CCO2 ZINC001053505585 766252167 /nfs/dbraw/zinc/25/21/67/766252167.db2.gz ZKHZIAYXARFLBN-AWEZNQCLSA-N 1 2 336.436 0.409 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCc3n[nH]nc3C1)CCO2 ZINC001053507649 766257750 /nfs/dbraw/zinc/25/77/50/766257750.db2.gz RGYMLPLAJZRXQV-CYBMUJFWSA-N 1 2 331.420 0.399 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc(C(N)=O)cs1)CCO2 ZINC001053542537 766308859 /nfs/dbraw/zinc/30/88/59/766308859.db2.gz KLDCZASYBBCODS-UHFFFAOYSA-N 1 2 335.429 0.950 20 30 ECEDLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212248760 766362020 /nfs/dbraw/zinc/36/20/20/766362020.db2.gz MLFAZVZDTXXLAT-NWANDNLSSA-N 1 2 335.448 0.518 20 30 ECEDLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212248760 766362028 /nfs/dbraw/zinc/36/20/28/766362028.db2.gz MLFAZVZDTXXLAT-NWANDNLSSA-N 1 2 335.448 0.518 20 30 ECEDLO C#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCc3[nH+]ccn3C1)O2 ZINC001053618922 766446544 /nfs/dbraw/zinc/44/65/44/766446544.db2.gz GHTGIGWZAOQWAX-CABCVRRESA-N 1 2 328.416 0.428 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCN(C)C(=O)C1)O2 ZINC001053618996 766448443 /nfs/dbraw/zinc/44/84/43/766448443.db2.gz ICHZAOLJCUKSNH-HUUCEWRRSA-N 1 2 335.448 0.781 20 30 ECEDLO C#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCn3cc[nH+]c3C1)O2 ZINC001053619708 766450521 /nfs/dbraw/zinc/45/05/21/766450521.db2.gz VDIDCOJCDGBYDW-GJZGRUSLSA-N 1 2 328.416 0.428 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCc2sc(C[NH2+][C@H]3CCCNC3=O)nc2C1 ZINC001089273475 766464573 /nfs/dbraw/zinc/46/45/73/766464573.db2.gz CWGZRALFDYAKQX-MNOVXSKESA-N 1 2 347.444 0.556 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnc3c(c1)nnn3C)O2 ZINC001053628693 766475139 /nfs/dbraw/zinc/47/51/39/766475139.db2.gz VPXIYWHWYUGXKH-ZDUSSCGKSA-N 1 2 342.403 0.513 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCNC(=O)CC1)O2 ZINC001053638586 766493664 /nfs/dbraw/zinc/49/36/64/766493664.db2.gz QGDLLHRBYUHQQC-HUUCEWRRSA-N 1 2 335.448 0.828 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnn3cccnc13)O2 ZINC001053640893 766497118 /nfs/dbraw/zinc/49/71/18/766497118.db2.gz FYDLQWCFLGRHPM-ZDUSSCGKSA-N 1 2 327.388 0.879 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c(C)c(C)n[nH]c1=O)O2 ZINC001053640619 766497430 /nfs/dbraw/zinc/49/74/30/766497430.db2.gz CNVZWTPUDVOABM-ZDUSSCGKSA-N 1 2 332.404 0.948 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCc3nnn(C)c3C1)O2 ZINC001053651442 766513194 /nfs/dbraw/zinc/51/31/94/766513194.db2.gz CGDHOUNBYCXJMZ-UONOGXRCSA-N 1 2 345.447 0.456 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C(N)=O)c[nH]1)O2 ZINC001053680110 766569201 /nfs/dbraw/zinc/56/92/01/766569201.db2.gz XNLTXIUAOUGWTO-ZDUSSCGKSA-N 1 2 332.404 0.653 20 30 ECEDLO CCn1cc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)nn1 ZINC001046011406 766635623 /nfs/dbraw/zinc/63/56/23/766635623.db2.gz DERPFNHZAKFPEU-HOCLYGCPSA-N 1 2 345.451 0.176 20 30 ECEDLO CCn1cc(C[N@H+]2CC[C@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)nn1 ZINC001046011406 766635626 /nfs/dbraw/zinc/63/56/26/766635626.db2.gz DERPFNHZAKFPEU-HOCLYGCPSA-N 1 2 345.451 0.176 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC[C@H](C)C3)C[C@@H]2O)C1 ZINC001083763076 766655361 /nfs/dbraw/zinc/65/53/61/766655361.db2.gz WXTJHPMKCQNEID-IMJJTQAJSA-N 1 2 349.475 0.763 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC[C@H](C)C3)C[C@@H]2O)C1 ZINC001083763076 766655367 /nfs/dbraw/zinc/65/53/67/766655367.db2.gz WXTJHPMKCQNEID-IMJJTQAJSA-N 1 2 349.475 0.763 20 30 ECEDLO Cc1nnc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)C#CC4CC4)CC3)C2)o1 ZINC001046027555 766687055 /nfs/dbraw/zinc/68/70/55/766687055.db2.gz PPYYXFJXQIDPGS-MRXNPFEDSA-N 1 2 343.431 0.510 20 30 ECEDLO Cc1nnc(C[N@H+]2CC[C@@H](N3CCN(C(=O)C#CC4CC4)CC3)C2)o1 ZINC001046027555 766687062 /nfs/dbraw/zinc/68/70/62/766687062.db2.gz PPYYXFJXQIDPGS-MRXNPFEDSA-N 1 2 343.431 0.510 20 30 ECEDLO Cc1ccn(C[C@H](C)C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)n1 ZINC001046032352 766704958 /nfs/dbraw/zinc/70/49/58/766704958.db2.gz BQCFTNGBKIWDEU-RDJZCZTQSA-N 1 2 344.463 0.570 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@H]3CCc4cncn4C3)CC2)C1 ZINC001046040187 766745321 /nfs/dbraw/zinc/74/53/21/766745321.db2.gz GGTSRQQYAZTMTL-RDJZCZTQSA-N 1 2 342.447 0.188 20 30 ECEDLO CCc1nnc(C)cc1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046042287 766754860 /nfs/dbraw/zinc/75/48/60/766754860.db2.gz XZUMDPYNXXPKGU-HNNXBMFYSA-N 1 2 342.447 0.703 20 30 ECEDLO CC(C)n1ccc(CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)n1 ZINC001046045964 766773403 /nfs/dbraw/zinc/77/34/03/766773403.db2.gz SKQKMHYVEQMMLR-KRWDZBQOSA-N 1 2 344.463 0.749 20 30 ECEDLO Cc1cc(C2(C(=O)N3CC[NH+]([C@@H]4CCN(CC#N)C4)CC3)CC2)on1 ZINC001046056912 766813547 /nfs/dbraw/zinc/81/35/47/766813547.db2.gz WBPFBEUYZNOFMH-OAHLLOKOSA-N 1 2 343.431 0.757 20 30 ECEDLO CCc1c[nH]c(=O)c(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)c1 ZINC001046073144 766884080 /nfs/dbraw/zinc/88/40/80/766884080.db2.gz WOFISDXGKVKEGQ-OAHLLOKOSA-N 1 2 343.431 0.705 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1[nH]nc3c1CCCC3)CO2 ZINC001053802988 766889144 /nfs/dbraw/zinc/88/91/44/766889144.db2.gz IAFNXAPKVPJCGG-CQSZACIVSA-N 1 2 342.443 0.814 20 30 ECEDLO C[C@H](C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1)c1cnn(C)c1 ZINC001046085779 766926869 /nfs/dbraw/zinc/92/68/69/766926869.db2.gz DMOMKHKTKGSUDD-HOCLYGCPSA-N 1 2 330.436 0.266 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC(=O)N(CC(C)C)C1)CO2 ZINC001053820428 766933477 /nfs/dbraw/zinc/93/34/77/766933477.db2.gz BOEMGFVOXZRDHR-CVEARBPZSA-N 1 2 347.459 0.474 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)CN1CCCCCCC1=O)CO2 ZINC001053822502 766940987 /nfs/dbraw/zinc/94/09/87/766940987.db2.gz OMEONYCUGRYGNH-INIZCTEOSA-N 1 2 347.459 0.762 20 30 ECEDLO CCN(c1nc(C)cc(C#N)n1)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001089667307 766964107 /nfs/dbraw/zinc/96/41/07/766964107.db2.gz FXQQVBZKJWAQCK-CYBMUJFWSA-N 1 2 341.419 0.964 20 30 ECEDLO CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001089668111 766966961 /nfs/dbraw/zinc/96/69/61/766966961.db2.gz RRBFIHKXIIDFRH-GFCCVEGCSA-N 1 2 327.392 0.655 20 30 ECEDLO CC#CCN1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3c[nH+]cn3C1)CO2 ZINC001053853039 767024264 /nfs/dbraw/zinc/02/42/64/767024264.db2.gz WCOJZLHNEQIFAI-CABCVRRESA-N 1 2 328.416 0.428 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C(N)=O)cn1C)CO2 ZINC001053858712 767047084 /nfs/dbraw/zinc/04/70/84/767047084.db2.gz PEARXPPNPQGULT-ZDUSSCGKSA-N 1 2 332.404 0.273 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC(N)=O)c1 ZINC001089690737 767058369 /nfs/dbraw/zinc/05/83/69/767058369.db2.gz DJSKCQQOPBNJOW-OAHLLOKOSA-N 1 2 328.416 0.769 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC(N)=O)c1 ZINC001089690737 767058373 /nfs/dbraw/zinc/05/83/73/767058373.db2.gz DJSKCQQOPBNJOW-OAHLLOKOSA-N 1 2 328.416 0.769 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1Cc3ccccc3O1)CO2 ZINC001053865089 767069556 /nfs/dbraw/zinc/06/95/56/767069556.db2.gz QUHIRADBADOUBY-NVXWUHKLSA-N 1 2 326.396 0.973 20 30 ECEDLO Cn1ncc(C[N@@H+]2CC[C@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]32)n1 ZINC001042016541 782603522 /nfs/dbraw/zinc/60/35/22/782603522.db2.gz QOWQELKDUPLRBF-LRDDRELGSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1ncc(C[N@H+]2CC[C@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]32)n1 ZINC001042016541 782603526 /nfs/dbraw/zinc/60/35/26/782603526.db2.gz QOWQELKDUPLRBF-LRDDRELGSA-N 1 2 339.403 0.751 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2COCCN2C)C1 ZINC001046248551 767108420 /nfs/dbraw/zinc/10/84/20/767108420.db2.gz PIWUBOCAYLBCTP-GXTWGEPZSA-N 1 2 346.269 0.806 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2COCCN2C)C1 ZINC001046248551 767108421 /nfs/dbraw/zinc/10/84/21/767108421.db2.gz PIWUBOCAYLBCTP-GXTWGEPZSA-N 1 2 346.269 0.806 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001046286944 767128223 /nfs/dbraw/zinc/12/82/23/767128223.db2.gz HRNUVQAZNMOEJP-CABZTGNLSA-N 1 2 332.198 0.584 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001046286944 767128226 /nfs/dbraw/zinc/12/82/26/767128226.db2.gz HRNUVQAZNMOEJP-CABZTGNLSA-N 1 2 332.198 0.584 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2cn(CCOC)nn2)C1 ZINC001046305963 767137985 /nfs/dbraw/zinc/13/79/85/767137985.db2.gz SWKGWOSYBAQESW-CQSZACIVSA-N 1 2 327.816 0.871 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2cn(CCOC)nn2)C1 ZINC001046305963 767137987 /nfs/dbraw/zinc/13/79/87/767137987.db2.gz SWKGWOSYBAQESW-CQSZACIVSA-N 1 2 327.816 0.871 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CS(C)(=O)=O ZINC001089781693 767167641 /nfs/dbraw/zinc/16/76/41/767167641.db2.gz OGOQWDUECJCRAR-CRWXNKLISA-N 1 2 346.880 0.952 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CS(C)(=O)=O ZINC001089781693 767167642 /nfs/dbraw/zinc/16/76/42/767167642.db2.gz OGOQWDUECJCRAR-CRWXNKLISA-N 1 2 346.880 0.952 20 30 ECEDLO Cn1cnnc1C[N@@H+]1CC[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]21 ZINC001042018162 782607399 /nfs/dbraw/zinc/60/73/99/782607399.db2.gz HEJOFMJZANZCII-WFASDCNBSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1cnnc1C[N@H+]1CC[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]21 ZINC001042018162 782607406 /nfs/dbraw/zinc/60/74/06/782607406.db2.gz HEJOFMJZANZCII-WFASDCNBSA-N 1 2 339.403 0.751 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnn3cccnc13)CO2 ZINC001053889244 767231756 /nfs/dbraw/zinc/23/17/56/767231756.db2.gz FPGRXPWPACRDBZ-CYBMUJFWSA-N 1 2 327.388 0.879 20 30 ECEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC001031825035 767292433 /nfs/dbraw/zinc/29/24/33/767292433.db2.gz CZRCQHNOBOUSFW-UHFFFAOYSA-N 1 2 337.807 0.965 20 30 ECEDLO C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106155033 767393099 /nfs/dbraw/zinc/39/30/99/767393099.db2.gz ONYQQHUYTKLUCD-FXPVBKGRSA-N 1 2 338.305 0.211 20 30 ECEDLO C[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106155033 767393107 /nfs/dbraw/zinc/39/31/07/767393107.db2.gz ONYQQHUYTKLUCD-FXPVBKGRSA-N 1 2 338.305 0.211 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001046637582 767407482 /nfs/dbraw/zinc/40/74/82/767407482.db2.gz NVMTXXFJAGJIBG-SWLSCSKDSA-N 1 2 338.843 0.959 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC001046637582 767407484 /nfs/dbraw/zinc/40/74/84/767407484.db2.gz NVMTXXFJAGJIBG-SWLSCSKDSA-N 1 2 338.843 0.959 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C(=O)N1CCC(C)CC1)CO2 ZINC001053947447 767426503 /nfs/dbraw/zinc/42/65/03/767426503.db2.gz BXVDMPBVOFLEQL-OAHLLOKOSA-N 1 2 335.448 0.781 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccnc(NC(C)=O)c1)CO2 ZINC001053959612 767455421 /nfs/dbraw/zinc/45/54/21/767455421.db2.gz BVJBJCUGKCRJJV-OAHLLOKOSA-N 1 2 342.399 0.636 20 30 ECEDLO N#Cc1nccnc1NC[C@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001106174229 767503308 /nfs/dbraw/zinc/50/33/08/767503308.db2.gz BHCQZUPKWYUTLZ-NSHDSACASA-N 1 2 337.343 0.427 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001053993943 767550444 /nfs/dbraw/zinc/55/04/44/767550444.db2.gz XPVCBOMHCMGXLL-QGZVFWFLSA-N 1 2 328.412 0.552 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c(C)n(C)nc1Cl)CO2 ZINC001053994857 767551112 /nfs/dbraw/zinc/55/11/12/767551112.db2.gz NXGJHOVUPBXTHL-GFCCVEGCSA-N 1 2 336.823 0.978 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cc1c(C)nc(C)[nH]c1=O)CO2 ZINC001054005778 767574476 /nfs/dbraw/zinc/57/44/76/767574476.db2.gz MABKVHMEYFSKHX-AWEZNQCLSA-N 1 2 346.431 0.877 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(=O)n(CCC)n1)CO2 ZINC001054006134 767575937 /nfs/dbraw/zinc/57/59/37/767575937.db2.gz SZFFOEFVWXMOQF-CQSZACIVSA-N 1 2 346.431 0.803 20 30 ECEDLO Cn1ncnc1C[N@H+](C)C[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001017107203 767597261 /nfs/dbraw/zinc/59/72/61/767597261.db2.gz QOOKPOXFKZHMNB-CYBMUJFWSA-N 1 2 341.419 0.999 20 30 ECEDLO Cn1ncnc1C[N@@H+](C)C[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001017107203 767597267 /nfs/dbraw/zinc/59/72/67/767597267.db2.gz QOOKPOXFKZHMNB-CYBMUJFWSA-N 1 2 341.419 0.999 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C)N1CCCCC1=O)CO2 ZINC001054016407 767606448 /nfs/dbraw/zinc/60/64/48/767606448.db2.gz BUJOIKMQKUAEPX-CABCVRRESA-N 1 2 333.432 0.370 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001054061724 767659644 /nfs/dbraw/zinc/65/96/44/767659644.db2.gz QCDHQJODIYOMHI-IRXDYDNUSA-N 1 2 340.427 0.706 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001054061724 767659646 /nfs/dbraw/zinc/65/96/46/767659646.db2.gz QCDHQJODIYOMHI-IRXDYDNUSA-N 1 2 340.427 0.706 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)NC[C@H](O)CNc1ncc(C#N)cc1F ZINC001106185020 767773216 /nfs/dbraw/zinc/77/32/16/767773216.db2.gz VDYJGIMEXAGZKG-LBPRGKRZSA-N 1 2 346.366 0.348 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001017851816 768468660 /nfs/dbraw/zinc/46/86/60/768468660.db2.gz IHTZLLBPOAGLDR-SOUVJXGZSA-N 1 2 327.432 0.619 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001017851816 768468665 /nfs/dbraw/zinc/46/86/65/768468665.db2.gz IHTZLLBPOAGLDR-SOUVJXGZSA-N 1 2 327.432 0.619 20 30 ECEDLO C[C@H]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001018085927 768702008 /nfs/dbraw/zinc/70/20/08/768702008.db2.gz DNKADRLDURQWPE-AAEUAGOBSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@H]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001018086401 768702910 /nfs/dbraw/zinc/70/29/10/768702910.db2.gz FYLJMQUFBCXNDJ-AAEUAGOBSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@@H]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cn1cc[nH+]c1 ZINC001018091521 768710797 /nfs/dbraw/zinc/71/07/97/768710797.db2.gz HQPRRDFHRJHNDG-TZMCWYRMSA-N 1 2 340.387 0.892 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001055313075 768767622 /nfs/dbraw/zinc/76/76/22/768767622.db2.gz AVEHKZZOXAZLGS-QWQRMKEZSA-N 1 2 346.431 0.586 20 30 ECEDLO N#Cc1nccc(N[C@@H]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]23)n1 ZINC001060557863 768809366 /nfs/dbraw/zinc/80/93/66/768809366.db2.gz RNRKZDAAXXUDTC-MRVWCRGKSA-N 1 2 337.387 0.385 20 30 ECEDLO C=CCCOCC(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC001055378311 768834020 /nfs/dbraw/zinc/83/40/20/768834020.db2.gz AAKRHIOTPVSHKX-GASCZTMLSA-N 1 2 346.431 0.472 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@H]1C ZINC000993409292 768970524 /nfs/dbraw/zinc/97/05/24/768970524.db2.gz GDMJJSLPBFNTFJ-OLZOCXBDSA-N 1 2 349.884 0.744 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@H]1C ZINC000993409292 768970531 /nfs/dbraw/zinc/97/05/31/768970531.db2.gz GDMJJSLPBFNTFJ-OLZOCXBDSA-N 1 2 349.884 0.744 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2CCOCC2=O)[C@H]1C ZINC000993425535 769048772 /nfs/dbraw/zinc/04/87/72/769048772.db2.gz OWNIXJIHBSGKLD-CHWSQXEVSA-N 1 2 329.828 0.567 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CN2CCOCC2=O)[C@H]1C ZINC000993425535 769048784 /nfs/dbraw/zinc/04/87/84/769048784.db2.gz OWNIXJIHBSGKLD-CHWSQXEVSA-N 1 2 329.828 0.567 20 30 ECEDLO N#Cc1ccc(N2C[C@@H]3CCC[C@]3(NC(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC001055550545 769093570 /nfs/dbraw/zinc/09/35/70/769093570.db2.gz OLHFLDODHPKHPD-SJCJKPOMSA-N 1 2 337.387 0.789 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)Cn3cccn3)C2)CC1 ZINC001018358717 769186037 /nfs/dbraw/zinc/18/60/37/769186037.db2.gz VAMMFDQQIVZLMD-INIZCTEOSA-N 1 2 345.447 0.452 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cc[nH]n3)C2)CC1 ZINC001018359915 769190807 /nfs/dbraw/zinc/19/08/07/769190807.db2.gz PNVYAEMTYZXPBH-CQSZACIVSA-N 1 2 331.420 0.592 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cnccn3)C2)CC1 ZINC001018359681 769190895 /nfs/dbraw/zinc/19/08/95/769190895.db2.gz JYQXOWKTBCZXSE-OAHLLOKOSA-N 1 2 343.431 0.659 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)Cc3ccon3)C2)CC1 ZINC001018362646 769199310 /nfs/dbraw/zinc/19/93/10/769199310.db2.gz HSDODAODLRTXSR-HNNXBMFYSA-N 1 2 346.431 0.786 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NC1CC[NH+](CCNC(=O)c2cn[nH]n2)CC1 ZINC001055597841 769221111 /nfs/dbraw/zinc/22/11/11/769221111.db2.gz FKTRCMXJPUKQCE-KRWDZBQOSA-N 1 2 348.451 0.717 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NC1CC[NH+](CCNC(=O)c2cnn[nH]2)CC1 ZINC001055597841 769221112 /nfs/dbraw/zinc/22/11/12/769221112.db2.gz FKTRCMXJPUKQCE-KRWDZBQOSA-N 1 2 348.451 0.717 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCC[NH+]1CCC(NC(=O)c2cnn[nH]2)CC1 ZINC001055608138 769247948 /nfs/dbraw/zinc/24/79/48/769247948.db2.gz OHCIYPUAWHBXIH-UHFFFAOYSA-N 1 2 348.451 0.717 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC000993572370 769270439 /nfs/dbraw/zinc/27/04/39/769270439.db2.gz VGHBPHMQCXHIEQ-HZMBPMFUSA-N 1 2 330.392 0.277 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC000993572370 769270442 /nfs/dbraw/zinc/27/04/42/769270442.db2.gz VGHBPHMQCXHIEQ-HZMBPMFUSA-N 1 2 330.392 0.277 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CC34CCOCC4)C2)nn1 ZINC001098795732 769335418 /nfs/dbraw/zinc/33/54/18/769335418.db2.gz DQJHFTBOBSXLBL-HOTGVXAUSA-N 1 2 343.431 0.591 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2nnn(C)n2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000993688146 769519192 /nfs/dbraw/zinc/51/91/92/769519192.db2.gz NCPAYUSWRGCBIX-GWCFXTLKSA-N 1 2 345.432 0.926 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2nnn(C)n2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000993688146 769519196 /nfs/dbraw/zinc/51/91/96/769519196.db2.gz NCPAYUSWRGCBIX-GWCFXTLKSA-N 1 2 345.432 0.926 20 30 ECEDLO COCc1noc(C[NH2+]C[C@H]2CN(C(=O)[C@@H](C)C#N)CCCO2)n1 ZINC001078359755 782770702 /nfs/dbraw/zinc/77/07/02/782770702.db2.gz DGBJEVZFJHPOPH-RYUDHWBXSA-N 1 2 337.380 0.083 20 30 ECEDLO C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001055826065 769868852 /nfs/dbraw/zinc/86/88/52/769868852.db2.gz WJGWZKWGRFTBRI-HBUWYVDXSA-N 1 2 346.431 0.949 20 30 ECEDLO C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001055826065 769868860 /nfs/dbraw/zinc/86/88/60/769868860.db2.gz WJGWZKWGRFTBRI-HBUWYVDXSA-N 1 2 346.431 0.949 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cncn3C)[C@@H]2C)nn1 ZINC000993941152 769915502 /nfs/dbraw/zinc/91/55/02/769915502.db2.gz ABRFBEGZJBTQDF-UKRRQHHQSA-N 1 2 343.435 0.981 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cncn3C)[C@@H]2C)nn1 ZINC000993941152 769915511 /nfs/dbraw/zinc/91/55/11/769915511.db2.gz ABRFBEGZJBTQDF-UKRRQHHQSA-N 1 2 343.435 0.981 20 30 ECEDLO CC(C)C#CC(=O)N[C@@]1(CO)CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001055935340 770280884 /nfs/dbraw/zinc/28/08/84/770280884.db2.gz RINIINZBSRLEAA-SFHVURJKSA-N 1 2 346.431 0.471 20 30 ECEDLO CC(C)C#CC(=O)N[C@@]1(CO)CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001055935340 770280891 /nfs/dbraw/zinc/28/08/91/770280891.db2.gz RINIINZBSRLEAA-SFHVURJKSA-N 1 2 346.431 0.471 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(CC)CCNc1ncnc2c1C[N@H+](C)CC2 ZINC001106853059 770342369 /nfs/dbraw/zinc/34/23/69/770342369.db2.gz WPXXRYDYGQBLSU-AWEZNQCLSA-N 1 2 345.447 0.763 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(CC)CCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106853059 770342382 /nfs/dbraw/zinc/34/23/82/770342382.db2.gz WPXXRYDYGQBLSU-AWEZNQCLSA-N 1 2 345.447 0.763 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CCC[N@@H+](CC(=O)NC)[C@H]1C ZINC000994245153 770403835 /nfs/dbraw/zinc/40/38/35/770403835.db2.gz WWQLXEBNSMFRLY-ZFWWWQNUSA-N 1 2 344.415 0.422 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CCC[N@H+](CC(=O)NC)[C@H]1C ZINC000994245153 770403838 /nfs/dbraw/zinc/40/38/38/770403838.db2.gz WWQLXEBNSMFRLY-ZFWWWQNUSA-N 1 2 344.415 0.422 20 30 ECEDLO C=C(C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001055972378 770406383 /nfs/dbraw/zinc/40/63/83/770406383.db2.gz BYOACPLXFFXLFE-SFHVURJKSA-N 1 2 348.447 0.789 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cnnn3C)[C@@H]2C)nc1 ZINC000994256107 770457345 /nfs/dbraw/zinc/45/73/45/770457345.db2.gz RKRWCSAPNQRUHA-CZUORRHYSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cnnn3C)[C@@H]2C)nc1 ZINC000994256107 770457349 /nfs/dbraw/zinc/45/73/49/770457349.db2.gz RKRWCSAPNQRUHA-CZUORRHYSA-N 1 2 338.415 0.974 20 30 ECEDLO N#Cc1nccnc1N1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001056012071 770547866 /nfs/dbraw/zinc/54/78/66/770547866.db2.gz WORHYXRPNUDBCW-GFCCVEGCSA-N 1 2 337.387 0.840 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN(c2ccnc(C#N)n2)CC1 ZINC001056024662 770598779 /nfs/dbraw/zinc/59/87/79/770598779.db2.gz MYSNKGYFKLJCEL-CHWSQXEVSA-N 1 2 337.387 0.534 20 30 ECEDLO O=C(C#CC1CC1)N1CCC[C@@](CO)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001056025442 770602461 /nfs/dbraw/zinc/60/24/61/770602461.db2.gz NZDIHRCBJXPWSE-GOSISDBHSA-N 1 2 344.415 0.156 20 30 ECEDLO C=CCCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001056289112 771083394 /nfs/dbraw/zinc/08/33/94/771083394.db2.gz CTIULFDQEJZVNE-BZUAXINKSA-N 1 2 335.448 0.875 20 30 ECEDLO C=CCCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001056289112 771083398 /nfs/dbraw/zinc/08/33/98/771083398.db2.gz CTIULFDQEJZVNE-BZUAXINKSA-N 1 2 335.448 0.875 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056312184 771108315 /nfs/dbraw/zinc/10/83/15/771108315.db2.gz YWUDUQWDPNOYLV-ZIAGYGMSSA-N 1 2 332.404 0.747 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1c[nH+]cn1C ZINC001056312154 771108390 /nfs/dbraw/zinc/10/83/90/771108390.db2.gz YPSLAYPMPPWKNC-HOTGVXAUSA-N 1 2 346.431 0.757 20 30 ECEDLO N#Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCc3[nH+]ccn3C2)nc1 ZINC001056330223 771136211 /nfs/dbraw/zinc/13/62/11/771136211.db2.gz LZWFLEPVEDMCSJ-OIPACUDHSA-N 1 2 348.410 0.963 20 30 ECEDLO N#Cc1cnccc1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001056333030 771138935 /nfs/dbraw/zinc/13/89/35/771138935.db2.gz DERXEKVWZAELOD-TXPWEPMLSA-N 1 2 348.410 0.963 20 30 ECEDLO N#Cc1nccnc1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001056334875 771141626 /nfs/dbraw/zinc/14/16/26/771141626.db2.gz BZLLRMQNADXFBI-UYHMYPTGSA-N 1 2 349.398 0.358 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC3(CN(C(=O)Cc4[nH]cc[nH+]4)C3)C2)nc1 ZINC001019333165 771169727 /nfs/dbraw/zinc/16/97/27/771169727.db2.gz PBXRBGPTSDMNEF-UHFFFAOYSA-N 1 2 349.394 0.703 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)c1 ZINC000994605000 771317205 /nfs/dbraw/zinc/31/72/05/771317205.db2.gz WCHKMTDXNJTOFK-GFCCVEGCSA-N 1 2 338.371 0.286 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)c1 ZINC000994608957 771352474 /nfs/dbraw/zinc/35/24/74/771352474.db2.gz NCHIMPHUBQORCL-GFCCVEGCSA-N 1 2 338.371 0.286 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056527876 771355494 /nfs/dbraw/zinc/35/54/94/771355494.db2.gz XEZWYKUJMAJTJK-ZIAGYGMSSA-N 1 2 332.404 0.747 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NCC2C[NH+](CC(=O)N3CCCCCC3)C2)c1 ZINC001031603080 771388578 /nfs/dbraw/zinc/38/85/78/771388578.db2.gz GWJFRKRVOBJAFM-UHFFFAOYSA-N 1 2 343.431 0.951 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056572675 771393763 /nfs/dbraw/zinc/39/37/63/771393763.db2.gz MPKLRWVUFTXJRS-RKVPGOIHSA-N 1 2 346.431 0.871 20 30 ECEDLO Cc1nc(N(C)C)nc(N[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)[nH+]1 ZINC001056601810 771421474 /nfs/dbraw/zinc/42/14/74/771421474.db2.gz ANJXQVQRTPLJFV-GFCCVEGCSA-N 1 2 340.391 0.772 20 30 ECEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CCNC(=O)C3)C2)ccc1F ZINC001031614028 771448485 /nfs/dbraw/zinc/44/84/85/771448485.db2.gz VHPONZDMOKMBTB-AWEZNQCLSA-N 1 2 344.390 0.772 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001056652828 771473670 /nfs/dbraw/zinc/47/36/70/771473670.db2.gz GZXQQHKUCIMHBN-DAYGRLMNSA-N 1 2 346.431 0.660 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)cn1 ZINC000994624083 771478847 /nfs/dbraw/zinc/47/88/47/771478847.db2.gz IFFJNJDAJHLHRG-CQSZACIVSA-N 1 2 349.394 0.463 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cc(OC)no3)C2)C1=O ZINC001007163833 771492573 /nfs/dbraw/zinc/49/25/73/771492573.db2.gz ABSLJQCRSKZGEY-OLZOCXBDSA-N 1 2 348.403 0.664 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cc(OC)no3)C2)C1=O ZINC001007163833 771492575 /nfs/dbraw/zinc/49/25/75/771492575.db2.gz ABSLJQCRSKZGEY-OLZOCXBDSA-N 1 2 348.403 0.664 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H](n2cc(C[NH2+]Cc3cnn(C)c3)nn2)C1 ZINC001089580322 771566004 /nfs/dbraw/zinc/56/60/04/771566004.db2.gz OGCVATVJKZFWFE-WFASDCNBSA-N 1 2 342.407 0.234 20 30 ECEDLO C=C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1)c1ccccc1 ZINC001019804844 771818317 /nfs/dbraw/zinc/81/83/17/771818317.db2.gz KLNGZKDQLJDGMJ-GJZGRUSLSA-N 1 2 341.415 0.769 20 30 ECEDLO O=C(C#CC1CC1)N1CCO[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001019930746 772037037 /nfs/dbraw/zinc/03/70/37/772037037.db2.gz UOIXFACIMXMTON-JKSUJKDBSA-N 1 2 342.399 0.194 20 30 ECEDLO CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001057074774 772041861 /nfs/dbraw/zinc/04/18/61/772041861.db2.gz RJRMWXWMIWOBPH-ZDUSSCGKSA-N 1 2 339.403 0.752 20 30 ECEDLO C=CCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001057172817 772213072 /nfs/dbraw/zinc/21/30/72/772213072.db2.gz SZTIXRIVJUMNFF-CQSZACIVSA-N 1 2 334.420 0.349 20 30 ECEDLO C#CCCCC(=O)N(CCO)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001057446395 772623491 /nfs/dbraw/zinc/62/34/91/772623491.db2.gz BUNITDWLVSWXKU-UHFFFAOYSA-N 1 2 342.399 0.689 20 30 ECEDLO Cc1c[nH+]c2cc(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)ccn12 ZINC001057666271 772889298 /nfs/dbraw/zinc/88/92/98/772889298.db2.gz QCGHEJJZUDHTRH-GFCCVEGCSA-N 1 2 343.387 0.353 20 30 ECEDLO C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001057807935 773008439 /nfs/dbraw/zinc/00/84/39/773008439.db2.gz WREFUNOMZSJRBD-ZIAGYGMSSA-N 1 2 334.420 0.807 20 30 ECEDLO C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001057807935 773008442 /nfs/dbraw/zinc/00/84/42/773008442.db2.gz WREFUNOMZSJRBD-ZIAGYGMSSA-N 1 2 334.420 0.807 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NC1CCN(c2nccnc2C#N)CC1 ZINC001057885403 773131315 /nfs/dbraw/zinc/13/13/15/773131315.db2.gz TWBAOZBYZUDRBQ-UHFFFAOYSA-N 1 2 325.376 0.409 20 30 ECEDLO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001057947155 773251413 /nfs/dbraw/zinc/25/14/13/773251413.db2.gz RDXWTCVVCFLWEG-AWEZNQCLSA-N 1 2 348.447 0.595 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N(CCO)CCNC(=O)C#CC2CC2)c[nH+]1 ZINC001057971891 773312781 /nfs/dbraw/zinc/31/27/81/773312781.db2.gz ICLDSOLNFVDZKH-UHFFFAOYSA-N 1 2 346.431 0.277 20 30 ECEDLO C#Cc1ccc(C(=O)NCCN(CCO)C(=O)Cn2cc[nH+]c2)cc1 ZINC001057998667 773354107 /nfs/dbraw/zinc/35/41/07/773354107.db2.gz FANQCPSCROBABY-UHFFFAOYSA-N 1 2 340.383 0.115 20 30 ECEDLO C=CCC(CC=C)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039808935 783133914 /nfs/dbraw/zinc/13/39/14/783133914.db2.gz NUSNJYGIWLJCIO-SFHVURJKSA-N 1 2 346.431 0.800 20 30 ECEDLO C=C[C@H](CC)CC(=O)NC[C@]1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001040631137 783137653 /nfs/dbraw/zinc/13/76/53/783137653.db2.gz ZDFNORFMRAUCRB-CXAGYDPISA-N 1 2 334.420 0.634 20 30 ECEDLO C#CCCCCCC(=O)N(CCO)CCNC(=O)CCn1cc[nH+]c1 ZINC001058308844 773948256 /nfs/dbraw/zinc/94/82/56/773948256.db2.gz FASOZOWYLWAFMU-UHFFFAOYSA-N 1 2 348.447 0.794 20 30 ECEDLO CC#CCCCC(=O)NCCN(CCO)C(=O)CCc1c[nH+]cn1C ZINC001058366571 774039245 /nfs/dbraw/zinc/03/92/45/774039245.db2.gz JAVSJHSTVFQAHC-UHFFFAOYSA-N 1 2 348.447 0.483 20 30 ECEDLO C[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CN1c1cncc(C#N)n1 ZINC001039817431 783145365 /nfs/dbraw/zinc/14/53/65/783145365.db2.gz ALVRPSASCZJMPB-RYUDHWBXSA-N 1 2 325.376 0.788 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001040635040 783145892 /nfs/dbraw/zinc/14/58/92/783145892.db2.gz DHWJBHBGXYSWCD-RHSMWYFYSA-N 1 2 334.420 0.565 20 30 ECEDLO C[C@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CN1c1nccnc1C#N ZINC001039818294 783146589 /nfs/dbraw/zinc/14/65/89/783146589.db2.gz NBYRHLQTHSBFHA-NWDGAFQWSA-N 1 2 325.376 0.788 20 30 ECEDLO C=CC(C)(C)CC(=O)NC[C@]1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001039820168 783150385 /nfs/dbraw/zinc/15/03/85/783150385.db2.gz ZZRCDJJPMAEWIF-QGZVFWFLSA-N 1 2 334.420 0.634 20 30 ECEDLO N#Cc1nccnc1N1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001058481181 774272484 /nfs/dbraw/zinc/27/24/84/774272484.db2.gz LLUSPFKJAZWYNL-STQMWFEESA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1nccnc1N1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001058541630 774394861 /nfs/dbraw/zinc/39/48/61/774394861.db2.gz POUQWEHUBXXWOA-NWDGAFQWSA-N 1 2 337.387 0.886 20 30 ECEDLO C=CCCCC(=O)N(CCO)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001058624640 774562415 /nfs/dbraw/zinc/56/24/15/774562415.db2.gz CSMDXITTXWULSJ-AWEZNQCLSA-N 1 2 336.436 0.882 20 30 ECEDLO C=CCCCC(=O)N(CCO)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001058624640 774562420 /nfs/dbraw/zinc/56/24/20/774562420.db2.gz CSMDXITTXWULSJ-AWEZNQCLSA-N 1 2 336.436 0.882 20 30 ECEDLO CC#CCCCC(=O)NCC1(O)CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001044993757 774809954 /nfs/dbraw/zinc/80/99/54/774809954.db2.gz BBIDCFRSYYKZAE-UHFFFAOYSA-N 1 2 346.431 0.570 20 30 ECEDLO N#Cc1cnc(N2CC[C@@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]32)cn1 ZINC001045092560 774963905 /nfs/dbraw/zinc/96/39/05/774963905.db2.gz YJAHOLJNUWPIJP-JSGCOSHPSA-N 1 2 337.387 0.741 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cccnc2OC)[C@@H](n2ccnn2)C1 ZINC001070016666 790335742 /nfs/dbraw/zinc/33/57/42/790335742.db2.gz XBOUTXNHYPSXOI-CABCVRRESA-N 1 2 340.387 0.360 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccnc2OC)[C@@H](n2ccnn2)C1 ZINC001070016666 790335751 /nfs/dbraw/zinc/33/57/51/790335751.db2.gz XBOUTXNHYPSXOI-CABCVRRESA-N 1 2 340.387 0.360 20 30 ECEDLO C[C@@H](c1nnnn1C)[NH+]1CCC(C)(NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001045407011 775550190 /nfs/dbraw/zinc/55/01/90/775550190.db2.gz NWEBXVVXNVNFNQ-NSHDSACASA-N 1 2 342.407 0.755 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)CCO3)[C@@H](n2ccnn2)C1 ZINC001070031246 790391706 /nfs/dbraw/zinc/39/17/06/790391706.db2.gz NFAQVJYJSZCSET-CVEARBPZSA-N 1 2 337.383 0.502 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)CCO3)[C@@H](n2ccnn2)C1 ZINC001070031246 790391718 /nfs/dbraw/zinc/39/17/18/790391718.db2.gz NFAQVJYJSZCSET-CVEARBPZSA-N 1 2 337.383 0.502 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001070034993 790402471 /nfs/dbraw/zinc/40/24/71/790402471.db2.gz BUQHHHYITBRMGR-CABCVRRESA-N 1 2 325.376 0.167 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001070034993 790402473 /nfs/dbraw/zinc/40/24/73/790402473.db2.gz BUQHHHYITBRMGR-CABCVRRESA-N 1 2 325.376 0.167 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001044323690 776154140 /nfs/dbraw/zinc/15/41/40/776154140.db2.gz QZCBSVCEXZVYCE-RYUDHWBXSA-N 1 2 334.420 0.408 20 30 ECEDLO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001044463431 776323666 /nfs/dbraw/zinc/32/36/66/776323666.db2.gz DZTFFBWJJSSIQQ-UHFFFAOYSA-N 1 2 348.447 0.828 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001079777407 776855037 /nfs/dbraw/zinc/85/50/37/776855037.db2.gz ZBSNTQICJKAOOH-ZIAGYGMSSA-N 1 2 346.431 0.686 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001079777407 776855043 /nfs/dbraw/zinc/85/50/43/776855043.db2.gz ZBSNTQICJKAOOH-ZIAGYGMSSA-N 1 2 346.431 0.686 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]2CC)[C@@H](n2ccnn2)C1 ZINC001070070689 790503169 /nfs/dbraw/zinc/50/31/69/790503169.db2.gz OWBAGTIKTVWWAE-KFWWJZLASA-N 1 2 346.435 0.207 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]2CC)[C@@H](n2ccnn2)C1 ZINC001070070689 790503177 /nfs/dbraw/zinc/50/31/77/790503177.db2.gz OWBAGTIKTVWWAE-KFWWJZLASA-N 1 2 346.435 0.207 20 30 ECEDLO C=CCCC(=O)NC[C@@H]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)O1 ZINC001068538082 790511759 /nfs/dbraw/zinc/51/17/59/790511759.db2.gz TZOCGHALFWBTPA-AWEZNQCLSA-N 1 2 332.404 0.795 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001079962849 777157493 /nfs/dbraw/zinc/15/74/93/777157493.db2.gz DUULBXDUTCFZNR-KRWDZBQOSA-N 1 2 334.420 0.729 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001079962849 777157495 /nfs/dbraw/zinc/15/74/95/777157495.db2.gz DUULBXDUTCFZNR-KRWDZBQOSA-N 1 2 334.420 0.729 20 30 ECEDLO C=CCCO[C@H](C)C(=O)N1CC(N(CC)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001080347603 777724867 /nfs/dbraw/zinc/72/48/67/777724867.db2.gz ZAJMHXGYXILBRS-CYBMUJFWSA-N 1 2 334.420 0.993 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1Nc1nccnc1C#N ZINC001043164635 777858993 /nfs/dbraw/zinc/85/89/93/777858993.db2.gz ZCSJUKODCXRRRX-DGCLKSJQSA-N 1 2 325.376 0.963 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001080459539 777891684 /nfs/dbraw/zinc/89/16/84/777891684.db2.gz ZQURAHCNAGIKKZ-CZULRBLNSA-N 1 2 330.226 0.453 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001080459539 777891695 /nfs/dbraw/zinc/89/16/95/777891695.db2.gz ZQURAHCNAGIKKZ-CZULRBLNSA-N 1 2 330.226 0.453 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001080478494 777910139 /nfs/dbraw/zinc/91/01/39/777910139.db2.gz ZESBYAMUDGSDKA-RAIGVLPGSA-N 1 2 338.843 0.815 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001080478494 777910146 /nfs/dbraw/zinc/91/01/46/777910146.db2.gz ZESBYAMUDGSDKA-RAIGVLPGSA-N 1 2 338.843 0.815 20 30 ECEDLO C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001043187604 777912615 /nfs/dbraw/zinc/91/26/15/777912615.db2.gz LFTBHGYMYZYLPT-UHFFFAOYSA-N 1 2 346.431 0.800 20 30 ECEDLO C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001043187604 777912620 /nfs/dbraw/zinc/91/26/20/777912620.db2.gz LFTBHGYMYZYLPT-UHFFFAOYSA-N 1 2 346.431 0.800 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1Nc1ccc(C#N)nn1 ZINC001043578835 778542923 /nfs/dbraw/zinc/54/29/23/778542923.db2.gz FMJAIBXBJOGKJR-BXUZGUMPSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1Nc1ccc(C#N)nn1 ZINC001043578835 778542926 /nfs/dbraw/zinc/54/29/26/778542926.db2.gz FMJAIBXBJOGKJR-BXUZGUMPSA-N 1 2 325.376 0.963 20 30 ECEDLO C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001043608443 778584436 /nfs/dbraw/zinc/58/44/36/778584436.db2.gz CVXKLWCSEOOSIE-ZDUSSCGKSA-N 1 2 332.404 0.101 20 30 ECEDLO C=CCOCC(=O)N(C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001078885156 780582919 /nfs/dbraw/zinc/58/29/19/780582919.db2.gz VPNJOPRTMAHMGW-AWEZNQCLSA-N 1 2 334.420 0.994 20 30 ECEDLO C#CCOCCC(=O)N(C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001078958689 780652757 /nfs/dbraw/zinc/65/27/57/780652757.db2.gz BQZDZQCSQQZPSC-OAHLLOKOSA-N 1 2 346.431 0.832 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccn(C)n2)C1 ZINC001079147231 780815730 /nfs/dbraw/zinc/81/57/30/780815730.db2.gz DKMCAJCIHCWKAV-QZTJIDSGSA-N 1 2 338.411 0.741 20 30 ECEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccn(C)n2)C1 ZINC001079147231 780815744 /nfs/dbraw/zinc/81/57/44/780815744.db2.gz DKMCAJCIHCWKAV-QZTJIDSGSA-N 1 2 338.411 0.741 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[NH+](CCCCCNC(=O)c2nnc[nH]2)CC1 ZINC001079163102 780842277 /nfs/dbraw/zinc/84/22/77/780842277.db2.gz QQHYJCRKLDFMSW-ZDUSSCGKSA-N 1 2 347.423 0.009 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[NH+](CCCCCNC(=O)c2ncn[nH]2)CC1 ZINC001079163102 780842283 /nfs/dbraw/zinc/84/22/83/780842283.db2.gz QQHYJCRKLDFMSW-ZDUSSCGKSA-N 1 2 347.423 0.009 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[NH+](CCCCCNC(=O)c2nc[nH]n2)CC1 ZINC001079163102 780842286 /nfs/dbraw/zinc/84/22/86/780842286.db2.gz QQHYJCRKLDFMSW-ZDUSSCGKSA-N 1 2 347.423 0.009 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001079547459 781255529 /nfs/dbraw/zinc/25/55/29/781255529.db2.gz WNMSXOZRMNJKGE-GOEBONIOSA-N 1 2 337.464 0.979 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001079547459 781255538 /nfs/dbraw/zinc/25/55/38/781255538.db2.gz WNMSXOZRMNJKGE-GOEBONIOSA-N 1 2 337.464 0.979 20 30 ECEDLO C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001043067242 781266940 /nfs/dbraw/zinc/26/69/40/781266940.db2.gz AKIPTAHVRDQFMN-CYBMUJFWSA-N 1 2 348.447 0.880 20 30 ECEDLO C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001043067242 781266944 /nfs/dbraw/zinc/26/69/44/781266944.db2.gz AKIPTAHVRDQFMN-CYBMUJFWSA-N 1 2 348.447 0.880 20 30 ECEDLO C#Cc1ccc(C(=O)NCC[C@H](C)NC(=O)Cn2cc[nH+]c2)nc1 ZINC001077633372 781390746 /nfs/dbraw/zinc/39/07/46/781390746.db2.gz NOQQPFMMGVVCHS-ZDUSSCGKSA-N 1 2 325.372 0.584 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ocnc2C)C[C@H]1O ZINC001077821848 781758040 /nfs/dbraw/zinc/75/80/40/781758040.db2.gz JYTBNIDDNJQEJD-NHIYQJMISA-N 1 2 335.404 0.626 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@H]1O ZINC001077821848 781758048 /nfs/dbraw/zinc/75/80/48/781758048.db2.gz JYTBNIDDNJQEJD-NHIYQJMISA-N 1 2 335.404 0.626 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2NC(=O)CC)C1 ZINC001077868975 781844274 /nfs/dbraw/zinc/84/42/74/781844274.db2.gz JARJITCTOFYSFD-HZPDHXFCSA-N 1 2 329.400 0.833 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2NC(=O)CC)C1 ZINC001077868975 781844276 /nfs/dbraw/zinc/84/42/76/781844276.db2.gz JARJITCTOFYSFD-HZPDHXFCSA-N 1 2 329.400 0.833 20 30 ECEDLO C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001077899655 781900999 /nfs/dbraw/zinc/90/09/99/781900999.db2.gz QANSDPZPRJVGRN-NXEZZACHSA-N 1 2 329.198 0.022 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040696837 783287781 /nfs/dbraw/zinc/28/77/81/783287781.db2.gz NQSARRZEGGIMSJ-GUYCJALGSA-N 1 2 334.420 0.634 20 30 ECEDLO C[C@H](C#N)C(=O)NC[C@]1(O)CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001040767261 783395319 /nfs/dbraw/zinc/39/53/19/783395319.db2.gz XBAIAAVFOPYDLX-SJKOYZFVSA-N 1 2 341.371 0.187 20 30 ECEDLO C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001040048254 783438523 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C=CCN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)c2cnccc2C)C1=O ZINC001038135855 783901442 /nfs/dbraw/zinc/90/14/42/783901442.db2.gz DXSMIGFTCCFWLJ-HOCLYGCPSA-N 1 2 328.416 0.981 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)c2cnccc2C)C1=O ZINC001038135855 783901446 /nfs/dbraw/zinc/90/14/46/783901446.db2.gz DXSMIGFTCCFWLJ-HOCLYGCPSA-N 1 2 328.416 0.981 20 30 ECEDLO CN1CCOC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001038177868 783956378 /nfs/dbraw/zinc/95/63/78/783956378.db2.gz PMMWJMVVEOFGDF-WFASDCNBSA-N 1 2 334.445 0.641 20 30 ECEDLO CN1CCOC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001038177868 783956382 /nfs/dbraw/zinc/95/63/82/783956382.db2.gz PMMWJMVVEOFGDF-WFASDCNBSA-N 1 2 334.445 0.641 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1cnn(C)c1)C[C@H]2c1nnc(C)[nH]1 ZINC001070441346 784081446 /nfs/dbraw/zinc/08/14/46/784081446.db2.gz STPSPAPPTBMJNY-AWEZNQCLSA-N 1 2 339.403 0.021 20 30 ECEDLO C=CC[NH+]1CC2(C1)CN(C(=O)c1cc(C)n[nH]1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070441949 784083092 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C=CC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2ccn(CC)n2)CC1 ZINC001070965737 784252698 /nfs/dbraw/zinc/25/26/98/784252698.db2.gz QKLGNZXAGVUVIY-UHFFFAOYSA-N 1 2 333.436 0.282 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2ccn(CC)n2)CC1 ZINC001070965737 784252703 /nfs/dbraw/zinc/25/27/03/784252703.db2.gz QKLGNZXAGVUVIY-UHFFFAOYSA-N 1 2 333.436 0.282 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2cnccc2OC)CC1 ZINC001070972714 784279373 /nfs/dbraw/zinc/27/93/73/784279373.db2.gz IBMFEIJMGHYFEE-UHFFFAOYSA-N 1 2 346.431 0.469 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2cnccc2OC)CC1 ZINC001070972714 784279377 /nfs/dbraw/zinc/27/93/77/784279377.db2.gz IBMFEIJMGHYFEE-UHFFFAOYSA-N 1 2 346.431 0.469 20 30 ECEDLO C=CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001070974976 784287156 /nfs/dbraw/zinc/28/71/56/784287156.db2.gz AIRFJFNCPLJFLL-OAHLLOKOSA-N 1 2 345.447 0.282 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2ccc(=O)[nH]c2)CC1 ZINC001070991367 784342464 /nfs/dbraw/zinc/34/24/64/784342464.db2.gz 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C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)c2cnn(C)c2)CC1 ZINC001071025324 784452730 /nfs/dbraw/zinc/45/27/30/784452730.db2.gz AUTRYOIBNRXGJQ-CQSZACIVSA-N 1 2 333.436 0.360 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)c2cnn(C)c2)CC1 ZINC001071025324 784452734 /nfs/dbraw/zinc/45/27/34/784452734.db2.gz AUTRYOIBNRXGJQ-CQSZACIVSA-N 1 2 333.436 0.360 20 30 ECEDLO Cc1cc(OCC(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)no1 ZINC001070657926 784510444 /nfs/dbraw/zinc/51/04/44/784510444.db2.gz SXBRBYFZXKAMLG-CHWSQXEVSA-N 1 2 344.375 0.203 20 30 ECEDLO CCOc1nc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)co1 ZINC001070664238 784521697 /nfs/dbraw/zinc/52/16/97/784521697.db2.gz FTCOQVYPRLFVEW-VXGBXAGGSA-N 1 2 344.375 0.528 20 30 ECEDLO CCc1ncoc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070688035 784553585 /nfs/dbraw/zinc/55/35/85/784553585.db2.gz KRVZLNHKXIQFAZ-DGCLKSJQSA-N 1 2 328.376 0.692 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N1C[C@H](C)O[C@@]2(CCN(CC#N)C2)C1 ZINC001071180797 784678642 /nfs/dbraw/zinc/67/86/42/784678642.db2.gz RJGVOFTUTSYPEB-KBXCAEBGSA-N 1 2 344.415 0.848 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)c1nnn(C)n1)C[C@H](C)O2 ZINC001071197209 784715139 /nfs/dbraw/zinc/71/51/39/784715139.db2.gz OPNVXTLMCWMUDR-SMDDNHRTSA-N 1 2 340.815 0.268 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nnn(C)n1)C[C@H](C)O2 ZINC001071197209 784715143 /nfs/dbraw/zinc/71/51/43/784715143.db2.gz OPNVXTLMCWMUDR-SMDDNHRTSA-N 1 2 340.815 0.268 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccncc2)C1 ZINC001070900229 784807822 /nfs/dbraw/zinc/80/78/22/784807822.db2.gz FLHQKKIXRKSSDI-XHSDSOJGSA-N 1 2 342.399 0.987 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccncc2)C1 ZINC001070900229 784807834 /nfs/dbraw/zinc/80/78/34/784807834.db2.gz FLHQKKIXRKSSDI-XHSDSOJGSA-N 1 2 342.399 0.987 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)Cc3ccon3)C2)C(=O)C1 ZINC001071259116 784868156 /nfs/dbraw/zinc/86/81/56/784868156.db2.gz YRHAAGTYGLNTSC-MRXNPFEDSA-N 1 2 344.415 0.376 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)Cc3ccon3)C2)C(=O)C1 ZINC001071259116 784868162 /nfs/dbraw/zinc/86/81/62/784868162.db2.gz YRHAAGTYGLNTSC-MRXNPFEDSA-N 1 2 344.415 0.376 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)C[C@@H]3CCOC3)C2)C(=O)C1 ZINC001071260389 784871419 /nfs/dbraw/zinc/87/14/19/784871419.db2.gz QDYMOBMVBJHTFN-IRXDYDNUSA-N 1 2 347.459 0.572 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)C[C@@H]3CCOC3)C2)C(=O)C1 ZINC001071260389 784871422 /nfs/dbraw/zinc/87/14/22/784871422.db2.gz QDYMOBMVBJHTFN-IRXDYDNUSA-N 1 2 347.459 0.572 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)C[C@@H]3CCOC3)C2)C(=O)C1 ZINC001071260387 784872005 /nfs/dbraw/zinc/87/20/05/784872005.db2.gz QDYMOBMVBJHTFN-DLBZAZTESA-N 1 2 347.459 0.572 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)C[C@@H]3CCOC3)C2)C(=O)C1 ZINC001071260387 784872014 /nfs/dbraw/zinc/87/20/14/784872014.db2.gz QDYMOBMVBJHTFN-DLBZAZTESA-N 1 2 347.459 0.572 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CC3(F)F)C2)C(=O)C1 ZINC001071264387 784885627 /nfs/dbraw/zinc/88/56/27/784885627.db2.gz VESPRDSGCDCSGF-KBPBESRZSA-N 1 2 339.386 0.800 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CC3(F)F)C2)C(=O)C1 ZINC001071264387 784885634 /nfs/dbraw/zinc/88/56/34/784885634.db2.gz VESPRDSGCDCSGF-KBPBESRZSA-N 1 2 339.386 0.800 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C(=O)C1 ZINC001071269415 784898865 /nfs/dbraw/zinc/89/88/65/784898865.db2.gz SFQZOXZFQWPXPJ-CBZIJGRNSA-N 1 2 345.443 0.037 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C(=O)C1 ZINC001071269415 784898873 /nfs/dbraw/zinc/89/88/73/784898873.db2.gz SFQZOXZFQWPXPJ-CBZIJGRNSA-N 1 2 345.443 0.037 20 30 ECEDLO C=C(C)CN1CCN([C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C(=O)C1 ZINC001071273676 784909688 /nfs/dbraw/zinc/90/96/88/784909688.db2.gz DAGMCJMUBFXHTB-MRXNPFEDSA-N 1 2 345.447 0.664 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)Cc3ccc[nH]3)C2)C(=O)C1 ZINC001071276931 784921138 /nfs/dbraw/zinc/92/11/38/784921138.db2.gz FLSNQRIMWYFVJE-KRWDZBQOSA-N 1 2 342.443 0.716 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)Cc3ccc[nH]3)C2)C(=O)C1 ZINC001071276931 784921141 /nfs/dbraw/zinc/92/11/41/784921141.db2.gz FLSNQRIMWYFVJE-KRWDZBQOSA-N 1 2 342.443 0.716 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CN2CC(=O)NC2=O)CC[C@@H]1C ZINC001071904642 785298410 /nfs/dbraw/zinc/29/84/10/785298410.db2.gz MPKVSKFKPBPMLN-WDEREUQCSA-N 1 2 328.800 0.260 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CN2CC(=O)NC2=O)CC[C@@H]1C ZINC001071904642 785298416 /nfs/dbraw/zinc/29/84/16/785298416.db2.gz MPKVSKFKPBPMLN-WDEREUQCSA-N 1 2 328.800 0.260 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001071659633 785467278 /nfs/dbraw/zinc/46/72/78/785467278.db2.gz YODHPHXKXUSZNG-DGCLKSJQSA-N 1 2 335.433 0.562 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001071659633 785467282 /nfs/dbraw/zinc/46/72/82/785467282.db2.gz YODHPHXKXUSZNG-DGCLKSJQSA-N 1 2 335.433 0.562 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CN2CC(=O)N(C)C2=O)CC[C@H]1C ZINC001071987691 785482017 /nfs/dbraw/zinc/48/20/17/785482017.db2.gz FFFGSSDMDZHKNW-VXGBXAGGSA-N 1 2 342.827 0.602 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CN2CC(=O)N(C)C2=O)CC[C@H]1C ZINC001071987691 785482020 /nfs/dbraw/zinc/48/20/20/785482020.db2.gz FFFGSSDMDZHKNW-VXGBXAGGSA-N 1 2 342.827 0.602 20 30 ECEDLO C=CCOCCCC(=O)N[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001072430678 786173828 /nfs/dbraw/zinc/17/38/28/786173828.db2.gz XEAZRUBMRULFDH-ZBFHGGJFSA-N 1 2 348.447 0.909 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001072511156 786303200 /nfs/dbraw/zinc/30/32/00/786303200.db2.gz XDLHFUJMAAATTA-HUUCEWRRSA-N 1 2 346.431 0.356 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)C(=O)Nc1ncccn1)C2 ZINC001072553254 786357357 /nfs/dbraw/zinc/35/73/57/786357357.db2.gz WZOCXSBIATUOBI-CHWSQXEVSA-N 1 2 342.403 0.498 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@H+]([C@H](C)C(=O)Nc1ncccn1)C2 ZINC001072553254 786357362 /nfs/dbraw/zinc/35/73/62/786357362.db2.gz WZOCXSBIATUOBI-CHWSQXEVSA-N 1 2 342.403 0.498 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc4n[nH]nc43)C[C@@H]21 ZINC001074243770 786496366 /nfs/dbraw/zinc/49/63/66/786496366.db2.gz BGJIJZKRCKOIJD-JKSUJKDBSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc4n[nH]nc43)C[C@@H]21 ZINC001074243770 786496374 /nfs/dbraw/zinc/49/63/74/786496374.db2.gz BGJIJZKRCKOIJD-JKSUJKDBSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(C(C)(C)C)nn3)C[C@@H]21 ZINC001074260696 786536707 /nfs/dbraw/zinc/53/67/07/786536707.db2.gz YPRNCKJKUKXYEF-HOTGVXAUSA-N 1 2 345.447 0.972 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(C(C)(C)C)nn3)C[C@@H]21 ZINC001074260696 786536711 /nfs/dbraw/zinc/53/67/11/786536711.db2.gz YPRNCKJKUKXYEF-HOTGVXAUSA-N 1 2 345.447 0.972 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)nc3CC)C[C@@H]21 ZINC001074273167 786561336 /nfs/dbraw/zinc/56/13/36/786561336.db2.gz FFAZPWDXOFUBDB-DLBZAZTESA-N 1 2 330.432 0.921 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)nc3CC)C[C@@H]21 ZINC001074273167 786561341 /nfs/dbraw/zinc/56/13/41/786561341.db2.gz FFAZPWDXOFUBDB-DLBZAZTESA-N 1 2 330.432 0.921 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnn(CCF)c3)C[C@H]21 ZINC001074282789 786584593 /nfs/dbraw/zinc/58/45/93/786584593.db2.gz STEAYDRSIMFPOM-CVEARBPZSA-N 1 2 334.395 0.791 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnn(CCF)c3)C[C@H]21 ZINC001074282789 786584600 /nfs/dbraw/zinc/58/46/00/786584600.db2.gz STEAYDRSIMFPOM-CVEARBPZSA-N 1 2 334.395 0.791 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2CC1 ZINC001074306628 786640254 /nfs/dbraw/zinc/64/02/54/786640254.db2.gz KAZDSHPTILXXOW-IYBDPMFKSA-N 1 2 346.431 0.783 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3c(C)nn(C)c3C)C[C@@H]21 ZINC001074307492 786642451 /nfs/dbraw/zinc/64/24/51/786642451.db2.gz JZFXBVRDQDPPIG-ROUUACIJSA-N 1 2 344.459 0.904 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3c(C)nn(C)c3C)C[C@@H]21 ZINC001074307492 786642457 /nfs/dbraw/zinc/64/24/57/786642457.db2.gz JZFXBVRDQDPPIG-ROUUACIJSA-N 1 2 344.459 0.904 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3ccnc(OC)c3)C[C@@H]21 ZINC001074338005 786702461 /nfs/dbraw/zinc/70/24/61/786702461.db2.gz GVRIFSFJJQJBRV-IRXDYDNUSA-N 1 2 343.427 0.958 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3ccnc(OC)c3)C[C@@H]21 ZINC001074338005 786702467 /nfs/dbraw/zinc/70/24/67/786702467.db2.gz GVRIFSFJJQJBRV-IRXDYDNUSA-N 1 2 343.427 0.958 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3cnn(CC)c3)C[C@H]21 ZINC001074380744 786806686 /nfs/dbraw/zinc/80/66/86/786806686.db2.gz TVAUXDKLJWJXCS-IAGOWNOFSA-N 1 2 330.432 0.771 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3cnn(CC)c3)C[C@H]21 ZINC001074380744 786806697 /nfs/dbraw/zinc/80/66/97/786806697.db2.gz TVAUXDKLJWJXCS-IAGOWNOFSA-N 1 2 330.432 0.771 20 30 ECEDLO C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC001073630248 786812447 /nfs/dbraw/zinc/81/24/47/786812447.db2.gz QDVNRSHKMHGDLM-GJZGRUSLSA-N 1 2 344.477 0.737 20 30 ECEDLO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC001073630248 786812455 /nfs/dbraw/zinc/81/24/55/786812455.db2.gz QDVNRSHKMHGDLM-GJZGRUSLSA-N 1 2 344.477 0.737 20 30 ECEDLO CC#CCN1CCO[C@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@H]21 ZINC001074394393 786841927 /nfs/dbraw/zinc/84/19/27/786841927.db2.gz FCBCTIZNQCNHQT-SJORKVTESA-N 1 2 330.432 0.678 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C3CCN(C(N)=O)CC3)C[C@@H]21 ZINC001074402038 786863608 /nfs/dbraw/zinc/86/36/08/786863608.db2.gz CDBSTFCWXKYZRI-HOTGVXAUSA-N 1 2 348.447 0.102 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3CCN(C(N)=O)CC3)C[C@@H]21 ZINC001074402038 786863620 /nfs/dbraw/zinc/86/36/20/786863620.db2.gz CDBSTFCWXKYZRI-HOTGVXAUSA-N 1 2 348.447 0.102 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@H]21 ZINC001074404701 786875200 /nfs/dbraw/zinc/87/52/00/786875200.db2.gz GXBPCLCMAGWQQW-CABCVRRESA-N 1 2 332.404 0.605 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@H]21 ZINC001074404701 786875212 /nfs/dbraw/zinc/87/52/12/786875212.db2.gz GXBPCLCMAGWQQW-CABCVRRESA-N 1 2 332.404 0.605 20 30 ECEDLO C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCS(=O)(=O)C2)C1 ZINC001073796514 787218929 /nfs/dbraw/zinc/21/89/29/787218929.db2.gz NWZNGKFQDJOSGR-KBPBESRZSA-N 1 2 330.450 0.204 20 30 ECEDLO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCS(=O)(=O)C2)C1 ZINC001073796514 787218933 /nfs/dbraw/zinc/21/89/33/787218933.db2.gz NWZNGKFQDJOSGR-KBPBESRZSA-N 1 2 330.450 0.204 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001073820800 787265523 /nfs/dbraw/zinc/26/55/23/787265523.db2.gz WTKAPYONFBGNPK-GOEBONIOSA-N 1 2 348.447 0.909 20 30 ECEDLO C#CCCCC(=O)N1CCC(O)(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001074566243 787273982 /nfs/dbraw/zinc/27/39/82/787273982.db2.gz DWYTWBYYNJLKJO-UHFFFAOYSA-N 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ZINC001073873769 787416742 /nfs/dbraw/zinc/41/67/42/787416742.db2.gz JGVXHNULFTYODL-ZIAGYGMSSA-N 1 2 343.855 0.957 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CCC(O)(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001074684734 787589252 /nfs/dbraw/zinc/58/92/52/787589252.db2.gz LURUGZCEJCJLKI-HNNXBMFYSA-N 1 2 348.447 0.955 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001074706041 787646904 /nfs/dbraw/zinc/64/69/04/787646904.db2.gz DWTXBHDTZPJKNM-OLZOCXBDSA-N 1 2 347.419 0.218 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001074706041 787646910 /nfs/dbraw/zinc/64/69/10/787646910.db2.gz DWTXBHDTZPJKNM-OLZOCXBDSA-N 1 2 347.419 0.218 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC001074892228 788499380 /nfs/dbraw/zinc/49/93/80/788499380.db2.gz PXOWPHSMESHBEF-GXTWGEPZSA-N 1 2 334.420 0.959 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)C#CC2CC2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001074981649 788661917 /nfs/dbraw/zinc/66/19/17/788661917.db2.gz 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C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001073264451 789675640 /nfs/dbraw/zinc/67/56/40/789675640.db2.gz KRLUAWKXRABKGH-CABCVRRESA-N 1 2 346.431 0.972 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001073344934 789746956 /nfs/dbraw/zinc/74/69/56/789746956.db2.gz XWYHQGWDEQACAW-CQSZACIVSA-N 1 2 334.420 0.829 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCCN1c1ccc(C#N)nn1 ZINC001069376252 789783957 /nfs/dbraw/zinc/78/39/57/789783957.db2.gz UUKZQMGCAKHCLY-IUODEOHRSA-N 1 2 339.403 0.798 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1c1ccc(C#N)nn1 ZINC001069416027 789811826 /nfs/dbraw/zinc/81/18/26/789811826.db2.gz ZHZOLQBQBRFCQO-RISCZKNCSA-N 1 2 325.376 0.788 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3C[C@H]3C(=O)OC)c2C1 ZINC001069854266 790101295 /nfs/dbraw/zinc/10/12/95/790101295.db2.gz BOZIQZBNZWGVSB-ZIAGYGMSSA-N 1 2 332.404 0.700 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3C[C@H]3C(=O)OC)c2C1 ZINC001069854266 790101297 /nfs/dbraw/zinc/10/12/97/790101297.db2.gz BOZIQZBNZWGVSB-ZIAGYGMSSA-N 1 2 332.404 0.700 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3COCCN3C)c2C1 ZINC001069857794 790107264 /nfs/dbraw/zinc/10/72/64/790107264.db2.gz MJNCFRARKDUTSW-INIZCTEOSA-N 1 2 333.436 0.222 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3COCCN3C)c2C1 ZINC001069857794 790107265 /nfs/dbraw/zinc/10/72/65/790107265.db2.gz MJNCFRARKDUTSW-INIZCTEOSA-N 1 2 333.436 0.222 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CCCN3C(N)=O)c2C1 ZINC001069883844 790149858 /nfs/dbraw/zinc/14/98/58/790149858.db2.gz FSGGWHROAMBRDQ-AWEZNQCLSA-N 1 2 346.435 0.434 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CCCN3C(N)=O)c2C1 ZINC001069883844 790149861 /nfs/dbraw/zinc/14/98/61/790149861.db2.gz FSGGWHROAMBRDQ-AWEZNQCLSA-N 1 2 346.435 0.434 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)c2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001069929721 790202115 /nfs/dbraw/zinc/20/21/15/790202115.db2.gz NCPJFYGDKWZOEZ-FMKPAKJESA-N 1 2 341.419 0.180 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)c2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001069929721 790202120 /nfs/dbraw/zinc/20/21/20/790202120.db2.gz NCPJFYGDKWZOEZ-FMKPAKJESA-N 1 2 341.419 0.180 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccnn2CCC)[C@@H](n2ccnn2)C1 ZINC001069939082 790213497 /nfs/dbraw/zinc/21/34/97/790213497.db2.gz WYCVMUOGZIHZIE-ZBFHGGJFSA-N 1 2 341.419 0.563 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccnn2CCC)[C@@H](n2ccnn2)C1 ZINC001069939082 790213501 /nfs/dbraw/zinc/21/35/01/790213501.db2.gz WYCVMUOGZIHZIE-ZBFHGGJFSA-N 1 2 341.419 0.563 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](CC#CC)C[C@@H]1n1ccnn1 ZINC001069946300 790225541 /nfs/dbraw/zinc/22/55/41/790225541.db2.gz PDFRZPGBMYQOHT-WBVHZDCISA-N 1 2 338.415 0.944 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](CC#CC)C[C@@H]1n1ccnn1 ZINC001069946300 790225548 /nfs/dbraw/zinc/22/55/48/790225548.db2.gz PDFRZPGBMYQOHT-WBVHZDCISA-N 1 2 338.415 0.944 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2ccc(F)cn2)[C@@H](n2ccnn2)C1 ZINC001069960334 790243027 /nfs/dbraw/zinc/24/30/27/790243027.db2.gz RFTXKAURSGUCQH-CABCVRRESA-N 1 2 328.351 0.030 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2ccc(F)cn2)[C@@H](n2ccnn2)C1 ZINC001069960334 790243031 /nfs/dbraw/zinc/24/30/31/790243031.db2.gz RFTXKAURSGUCQH-CABCVRRESA-N 1 2 328.351 0.030 20 30 ECEDLO C[C@@H]1[C@H](Nc2ccc(C#N)nn2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001068872594 791314969 /nfs/dbraw/zinc/31/49/69/791314969.db2.gz NDMZICRHMUQHHL-BXUZGUMPSA-N 1 2 325.376 0.726 20 30 ECEDLO C=CC(C)(C)C(=O)N[C@H]1COC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001068947070 791483431 /nfs/dbraw/zinc/48/34/31/791483431.db2.gz AJEAYAPKHGMNHR-CYBMUJFWSA-N 1 2 346.431 0.661 20 30 ECEDLO C[C@@H]1C[C@@H](Nc2nccnc2C#N)CN1C(=O)Cc1c[nH+]cn1C ZINC001069121824 791722082 /nfs/dbraw/zinc/72/20/82/791722082.db2.gz LNSDRHCYAYCZBI-VXGBXAGGSA-N 1 2 325.376 0.726 20 30 ECEDLO N#Cc1ccc(NC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CCO2)nn1 ZINC001066686857 791988561 /nfs/dbraw/zinc/98/85/61/791988561.db2.gz BWUYKFRDOHRRRN-AWEZNQCLSA-N 1 2 341.375 0.343 20 30 ECEDLO N#Cc1ccc(NC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CCO2)nn1 ZINC001066686857 791988569 /nfs/dbraw/zinc/98/85/69/791988569.db2.gz BWUYKFRDOHRRRN-AWEZNQCLSA-N 1 2 341.375 0.343 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[NH+]([C@@H]3CCN(C(=O)C4CC4)C3)CC2)n1 ZINC001066693881 792008751 /nfs/dbraw/zinc/00/87/51/792008751.db2.gz HBIOQMWVRRDIQC-MRXNPFEDSA-N 1 2 340.431 0.790 20 30 ECEDLO COCC(=O)N1CC[C@@H]([NH+]2CCN(c3nc(C)ccc3C#N)CC2)C1 ZINC001066699170 792021154 /nfs/dbraw/zinc/02/11/54/792021154.db2.gz SXGOCUOHNCRIRE-MRXNPFEDSA-N 1 2 343.431 0.631 20 30 ECEDLO COCC(=O)N1CC[C@@H]([NH+]2CCN(c3cc(C)ncc3C#N)CC2)C1 ZINC001066699499 792024940 /nfs/dbraw/zinc/02/49/40/792024940.db2.gz ZHFZEKRVINUALX-MRXNPFEDSA-N 1 2 343.431 0.631 20 30 ECEDLO N#Cc1cnc(N2CCC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)cn1 ZINC001066754099 792105019 /nfs/dbraw/zinc/10/50/19/792105019.db2.gz WNUBRRYPGWNVEM-ZDUSSCGKSA-N 1 2 325.376 0.720 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1)c1nccnc1C#N ZINC001067765366 792250073 /nfs/dbraw/zinc/25/00/73/792250073.db2.gz KHWVIVPYVYVTIQ-CYBMUJFWSA-N 1 2 325.376 0.672 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)CC[C@@H]1C ZINC001067963519 792513305 /nfs/dbraw/zinc/51/33/05/792513305.db2.gz PWDYLNXJZHKQAH-XHDPSFHLSA-N 1 2 339.403 0.954 20 30 ECEDLO C=CCOCC(=O)N(C)CCCN(C)C(=O)CCc1c[nH+]cn1C ZINC001066999293 792540265 /nfs/dbraw/zinc/54/02/65/792540265.db2.gz VQHORDPKOLDVJL-UHFFFAOYSA-N 1 2 336.436 0.862 20 30 ECEDLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1Nc1cncc(C#N)n1 ZINC001067179567 792783896 /nfs/dbraw/zinc/78/38/96/792783896.db2.gz ZGNVMSYQKCHMHL-GXTWGEPZSA-N 1 2 325.376 0.894 20 30 ECEDLO N#Cc1cncc(N2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]4c4c[nH]c[nH+]4)[C@@H]3C2)n1 ZINC001068207703 792828552 /nfs/dbraw/zinc/82/85/52/792828552.db2.gz VWDXHROSEOLFDF-RYPNDVFKSA-N 1 2 349.398 0.673 20 30 ECEDLO N#Cc1cncc(N2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]4c4c[nH+]c[nH]4)[C@@H]3C2)n1 ZINC001068207703 792828566 /nfs/dbraw/zinc/82/85/66/792828566.db2.gz VWDXHROSEOLFDF-RYPNDVFKSA-N 1 2 349.398 0.673 20 30 ECEDLO C[C@H]1C[C@H](CNc2ccc(C#N)nn2)CN1C(=O)Cn1cc[nH+]c1 ZINC001068335853 793070724 /nfs/dbraw/zinc/07/07/24/793070724.db2.gz QLCDVYPAMRMTEW-QWHCGFSZSA-N 1 2 325.376 0.894 20 30 ECEDLO C[C@@H]1CN(c2cnc(C#N)cn2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067408920 793114059 /nfs/dbraw/zinc/11/40/59/793114059.db2.gz WYNUGCVJRKMNLM-YPMHNXCESA-N 1 2 325.376 0.645 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](C)C2)n1 ZINC001067440534 793163384 /nfs/dbraw/zinc/16/33/84/793163384.db2.gz MFELDUYIQNRZRE-IAQYHMDHSA-N 1 2 339.403 0.954 20 30 ECEDLO C[C@H]1CN(c2ccc(C#N)nn2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067441394 793164922 /nfs/dbraw/zinc/16/49/22/793164922.db2.gz YRYVCSAREHSCFZ-FZMZJTMJSA-N 1 2 325.376 0.645 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CN(C(=O)Cn1cc[nH+]c1)CCO2 ZINC001068409334 793250708 /nfs/dbraw/zinc/25/07/08/793250708.db2.gz BQTGQOUVINBSTQ-OAHLLOKOSA-N 1 2 346.431 0.925 20 30 ECEDLO CC(C)(C)C#CC(=O)N1CC2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)CCO2 ZINC001068441902 793320440 /nfs/dbraw/zinc/32/04/40/793320440.db2.gz IRJFSUHMMWKOBP-UHFFFAOYSA-N 1 2 344.415 0.442 20 30 ECEDLO C=CCCn1cc(C(=O)N(CCC)[C@@H]2CC[N@H+](CC(=O)NC)C2)nn1 ZINC001267487797 837550015 /nfs/dbraw/zinc/55/00/15/837550015.db2.gz GQXPNFZKGLVYLB-CQSZACIVSA-N 1 2 348.451 0.527 20 30 ECEDLO C=CCCn1cc(C(=O)N(CCC)[C@@H]2CC[N@@H+](CC(=O)NC)C2)nn1 ZINC001267487797 837550023 /nfs/dbraw/zinc/55/00/23/837550023.db2.gz GQXPNFZKGLVYLB-CQSZACIVSA-N 1 2 348.451 0.527 20 30 ECEDLO CC[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#CCOC)CCNC1=O ZINC001267532518 837706560 /nfs/dbraw/zinc/70/65/60/837706560.db2.gz YRNRYDCTFUZKBB-RVKKMQEKSA-N 1 2 333.432 0.228 20 30 ECEDLO CC[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#CCOC)CCNC1=O ZINC001267532518 837706573 /nfs/dbraw/zinc/70/65/73/837706573.db2.gz YRNRYDCTFUZKBB-RVKKMQEKSA-N 1 2 333.432 0.228 20 30 ECEDLO C#CCCCC(=O)N(C)CC[NH+]1CCN(Cc2cnn(C)n2)CC1 ZINC001267572103 837808085 /nfs/dbraw/zinc/80/80/85/837808085.db2.gz FJQKIIBBCYVHQB-UHFFFAOYSA-N 1 2 332.452 0.195 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](NC(=O)c2ccn(C)n2)C1 ZINC001266249164 835555501 /nfs/dbraw/zinc/55/55/01/835555501.db2.gz UYSGXESLYZTKEC-HNNXBMFYSA-N 1 2 345.447 0.815 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)c2ccn(C)n2)C1 ZINC001266249164 835555507 /nfs/dbraw/zinc/55/55/07/835555507.db2.gz UYSGXESLYZTKEC-HNNXBMFYSA-N 1 2 345.447 0.815 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCNC(=O)c2cocn2)c1 ZINC001266262187 835572468 /nfs/dbraw/zinc/57/24/68/835572468.db2.gz JLNKJHUWQWSWCU-UHFFFAOYSA-N 1 2 326.356 0.956 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCNC(=O)c2cocn2)c1 ZINC001266262187 835572471 /nfs/dbraw/zinc/57/24/71/835572471.db2.gz JLNKJHUWQWSWCU-UHFFFAOYSA-N 1 2 326.356 0.956 20 30 ECEDLO C[N@H+](CCNC(=O)c1cc(C#N)c[nH]1)CC(=O)Nc1ccc(O)cc1 ZINC001266265282 835579999 /nfs/dbraw/zinc/57/99/99/835579999.db2.gz BPOOFWBUHVSGOI-UHFFFAOYSA-N 1 2 341.371 0.892 20 30 ECEDLO C[N@@H+](CCNC(=O)c1cc(C#N)c[nH]1)CC(=O)Nc1ccc(O)cc1 ZINC001266265282 835580004 /nfs/dbraw/zinc/58/00/04/835580004.db2.gz BPOOFWBUHVSGOI-UHFFFAOYSA-N 1 2 341.371 0.892 20 30 ECEDLO C[C@H](CC(=O)NCC[NH+]1CCN(CC#N)CC1)NC(=O)C1CCCC1 ZINC001266298698 835654466 /nfs/dbraw/zinc/65/44/66/835654466.db2.gz HUYYGQVEDLMSLO-OAHLLOKOSA-N 1 2 349.479 0.329 20 30 ECEDLO C=CCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(=O)N[C@H](C)COC)C1 ZINC001266307659 835672279 /nfs/dbraw/zinc/67/22/79/835672279.db2.gz IKANWQRQUNPHHM-CHWSQXEVSA-N 1 2 340.424 0.004 20 30 ECEDLO C=CCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(=O)N[C@H](C)COC)C1 ZINC001266307659 835672289 /nfs/dbraw/zinc/67/22/89/835672289.db2.gz IKANWQRQUNPHHM-CHWSQXEVSA-N 1 2 340.424 0.004 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001266321955 835695656 /nfs/dbraw/zinc/69/56/56/835695656.db2.gz XNDPSFCRASTPFB-RDTXWAMCSA-N 1 2 348.447 0.935 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001266321955 835695659 /nfs/dbraw/zinc/69/56/59/835695659.db2.gz XNDPSFCRASTPFB-RDTXWAMCSA-N 1 2 348.447 0.935 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001266325959 835703140 /nfs/dbraw/zinc/70/31/40/835703140.db2.gz VLGXBHITOPNDQI-CABCVRRESA-N 1 2 348.447 0.935 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001266325959 835703134 /nfs/dbraw/zinc/70/31/34/835703134.db2.gz VLGXBHITOPNDQI-CABCVRRESA-N 1 2 348.447 0.935 20 30 ECEDLO C[N@H+](CCNC(=O)c1cc(C(F)(F)F)ccn1)CC(=O)NCC#N ZINC001266345142 835734575 /nfs/dbraw/zinc/73/45/75/835734575.db2.gz WLUKQWKWWBWNIN-UHFFFAOYSA-N 1 2 343.309 0.402 20 30 ECEDLO C[N@@H+](CCNC(=O)c1cc(C(F)(F)F)ccn1)CC(=O)NCC#N ZINC001266345142 835734583 /nfs/dbraw/zinc/73/45/83/835734583.db2.gz WLUKQWKWWBWNIN-UHFFFAOYSA-N 1 2 343.309 0.402 20 30 ECEDLO Cc1c(C(=O)NCC[N@H+](C)CC(=O)NCC#N)cnn1CC(C)C ZINC001266354804 835756855 /nfs/dbraw/zinc/75/68/55/835756855.db2.gz NWMQCBLWVMTOIQ-UHFFFAOYSA-N 1 2 334.424 0.149 20 30 ECEDLO Cc1c(C(=O)NCC[N@@H+](C)CC(=O)NCC#N)cnn1CC(C)C ZINC001266354804 835756863 /nfs/dbraw/zinc/75/68/63/835756863.db2.gz NWMQCBLWVMTOIQ-UHFFFAOYSA-N 1 2 334.424 0.149 20 30 ECEDLO C=C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1)c1ccccc1 ZINC001266360910 835770695 /nfs/dbraw/zinc/77/06/95/835770695.db2.gz FHXRTLMYUIQETJ-UONOGXRCSA-N 1 2 330.388 0.342 20 30 ECEDLO C=C[C@@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1)c1ccccc1 ZINC001266360910 835770705 /nfs/dbraw/zinc/77/07/05/835770705.db2.gz FHXRTLMYUIQETJ-UONOGXRCSA-N 1 2 330.388 0.342 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(COC)on1 ZINC001266486710 835886196 /nfs/dbraw/zinc/88/61/96/835886196.db2.gz QTXMWYCXJAXAHF-LBPRGKRZSA-N 1 2 336.392 0.317 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(COC)on1 ZINC001266486710 835886207 /nfs/dbraw/zinc/88/62/07/835886207.db2.gz QTXMWYCXJAXAHF-LBPRGKRZSA-N 1 2 336.392 0.317 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2nccn2c1 ZINC001266488825 835887423 /nfs/dbraw/zinc/88/74/23/835887423.db2.gz QDGFONCYJXAMEQ-AWEZNQCLSA-N 1 2 340.387 0.168 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2nccn2c1 ZINC001266488825 835887429 /nfs/dbraw/zinc/88/74/29/835887429.db2.gz QDGFONCYJXAMEQ-AWEZNQCLSA-N 1 2 340.387 0.168 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(=O)n1C ZINC001266491669 835891066 /nfs/dbraw/zinc/89/10/66/835891066.db2.gz XEVYLQYMCNRBEP-UPJWGTAASA-N 1 2 347.419 0.105 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(=O)n1C ZINC001266491669 835891069 /nfs/dbraw/zinc/89/10/69/835891069.db2.gz XEVYLQYMCNRBEP-UPJWGTAASA-N 1 2 347.419 0.105 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)Cc1ccccc1F ZINC001266492300 835891988 /nfs/dbraw/zinc/89/19/88/835891988.db2.gz MRPDRSVDUMYBIG-AWEZNQCLSA-N 1 2 332.379 0.589 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccccc1F ZINC001266492300 835891994 /nfs/dbraw/zinc/89/19/94/835891994.db2.gz MRPDRSVDUMYBIG-AWEZNQCLSA-N 1 2 332.379 0.589 20 30 ECEDLO CCOc1nnc(C[NH2+][C@H]2CCN(C(=O)CSCC#N)C2)s1 ZINC001266508360 835911935 /nfs/dbraw/zinc/91/19/35/835911935.db2.gz AKUQXJOMVHHXNR-JTQLQIEISA-N 1 2 341.462 0.884 20 30 ECEDLO O=C(C#CC1CC1)NCC1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001299156034 836100632 /nfs/dbraw/zinc/10/06/32/836100632.db2.gz URWIRWUMYAMDMX-CQSZACIVSA-N 1 2 326.400 0.624 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)C1CC([NH2+]Cc2nnn(C(C)(C)C)n2)C1 ZINC001279229263 836329202 /nfs/dbraw/zinc/32/92/02/836329202.db2.gz LDAUTJOLECXENU-IYXRBSQSSA-N 1 2 348.451 0.545 20 30 ECEDLO C=CCOCC(=O)NCC1=CC[N@H+](Cc2cncc(OC)n2)CC1 ZINC001279519063 836354567 /nfs/dbraw/zinc/35/45/67/836354567.db2.gz CKKKGCFJLCPYIH-UHFFFAOYSA-N 1 2 332.404 0.936 20 30 ECEDLO C=CCOCC(=O)NCC1=CC[N@@H+](Cc2cncc(OC)n2)CC1 ZINC001279519063 836354576 /nfs/dbraw/zinc/35/45/76/836354576.db2.gz CKKKGCFJLCPYIH-UHFFFAOYSA-N 1 2 332.404 0.936 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1c(Cl)n[nH]c1C1CC1 ZINC001267199025 836970499 /nfs/dbraw/zinc/97/04/99/836970499.db2.gz HBCFLJWGXAXGOD-UHFFFAOYSA-N 1 2 337.811 0.352 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1c(Cl)n[nH]c1C1CC1 ZINC001267199025 836970505 /nfs/dbraw/zinc/97/05/05/836970505.db2.gz HBCFLJWGXAXGOD-UHFFFAOYSA-N 1 2 337.811 0.352 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCO[C@H]1C ZINC001267225185 837022296 /nfs/dbraw/zinc/02/22/96/837022296.db2.gz QTUYWBYMWKXDEZ-LSDHHAIUSA-N 1 2 325.453 0.884 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCO[C@H]1C ZINC001267225185 837022307 /nfs/dbraw/zinc/02/23/07/837022307.db2.gz QTUYWBYMWKXDEZ-LSDHHAIUSA-N 1 2 325.453 0.884 20 30 ECEDLO CC[N@@H+](CC#CCOC)CCNC(=O)CS(=O)(=O)C(C)(C)C ZINC001267254279 837073685 /nfs/dbraw/zinc/07/36/85/837073685.db2.gz JTNQRRAOSYBELR-UHFFFAOYSA-N 1 2 332.466 0.288 20 30 ECEDLO CC[N@H+](CC#CCOC)CCNC(=O)CS(=O)(=O)C(C)(C)C ZINC001267254279 837073697 /nfs/dbraw/zinc/07/36/97/837073697.db2.gz JTNQRRAOSYBELR-UHFFFAOYSA-N 1 2 332.466 0.288 20 30 ECEDLO Cc1c(F)cccc1C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001267266183 837103306 /nfs/dbraw/zinc/10/33/06/837103306.db2.gz AYVSTLHZWJJRFO-CYBMUJFWSA-N 1 2 332.379 0.968 20 30 ECEDLO Cc1c(F)cccc1C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001267266183 837103311 /nfs/dbraw/zinc/10/33/11/837103311.db2.gz AYVSTLHZWJJRFO-CYBMUJFWSA-N 1 2 332.379 0.968 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)CCc2cnc[nH]2)C1=O ZINC001267269535 837109038 /nfs/dbraw/zinc/10/90/38/837109038.db2.gz OMORYFZIPGEMAL-HOTGVXAUSA-N 1 2 345.447 0.710 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)CCc2cnc[nH]2)C1=O ZINC001267269535 837109043 /nfs/dbraw/zinc/10/90/43/837109043.db2.gz OMORYFZIPGEMAL-HOTGVXAUSA-N 1 2 345.447 0.710 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C1(c2ccccc2)CC1 ZINC001267280995 837129097 /nfs/dbraw/zinc/12/90/97/837129097.db2.gz IJRLLTZCABJZTN-INIZCTEOSA-N 1 2 340.427 0.939 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C1(c2ccccc2)CC1 ZINC001267280995 837129099 /nfs/dbraw/zinc/12/90/99/837129099.db2.gz IJRLLTZCABJZTN-INIZCTEOSA-N 1 2 340.427 0.939 20 30 ECEDLO C=CCNC(=O)C[N@H+](CCNC(=O)c1cccc2n[nH]nc21)C1CC1 ZINC001267325315 837201679 /nfs/dbraw/zinc/20/16/79/837201679.db2.gz BQRMQNKGQVYRGA-UHFFFAOYSA-N 1 2 342.403 0.454 20 30 ECEDLO C=CCNC(=O)C[N@@H+](CCNC(=O)c1cccc2n[nH]nc21)C1CC1 ZINC001267325315 837201686 /nfs/dbraw/zinc/20/16/86/837201686.db2.gz BQRMQNKGQVYRGA-UHFFFAOYSA-N 1 2 342.403 0.454 20 30 ECEDLO C=CCC[N@@H+]1CC[C@@H](CCNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001267584091 837854268 /nfs/dbraw/zinc/85/42/68/837854268.db2.gz UVLNPHFMYVKFRI-CYBMUJFWSA-N 1 2 344.419 0.476 20 30 ECEDLO C=CCC[N@H+]1CC[C@@H](CCNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001267584091 837854281 /nfs/dbraw/zinc/85/42/81/837854281.db2.gz UVLNPHFMYVKFRI-CYBMUJFWSA-N 1 2 344.419 0.476 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN(CCN(C)C(=O)C=C(C)C)CC2)C1=O ZINC001267604818 837938421 /nfs/dbraw/zinc/93/84/21/837938421.db2.gz FYBAKETUPNMKJR-QGZVFWFLSA-N 1 2 348.491 0.816 20 30 ECEDLO C=CCN1CC[C@@H](N2CC[NH+](CCN(C)C(=O)C=C(C)C)CC2)C1=O ZINC001267604818 837938424 /nfs/dbraw/zinc/93/84/24/837938424.db2.gz FYBAKETUPNMKJR-QGZVFWFLSA-N 1 2 348.491 0.816 20 30 ECEDLO CC(C)C#CC(=O)N(C)CC[NH+]1CCN(Cc2cnn(C)c2)CC1 ZINC001267607831 837951659 /nfs/dbraw/zinc/95/16/59/837951659.db2.gz WRCRASTYIAMHNX-UHFFFAOYSA-N 1 2 331.464 0.656 20 30 ECEDLO CC(C)C#CC(=O)N(C)CCN1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001267607831 837951663 /nfs/dbraw/zinc/95/16/63/837951663.db2.gz WRCRASTYIAMHNX-UHFFFAOYSA-N 1 2 331.464 0.656 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CCN(C)C(=O)C(C)(C)C=C)CC1 ZINC001267609400 837969947 /nfs/dbraw/zinc/96/99/47/837969947.db2.gz ZAYFQAWIGOSKIG-UHFFFAOYSA-N 1 2 336.480 0.577 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)c1c2ccccc2nn1C ZINC001267618653 838054062 /nfs/dbraw/zinc/05/40/62/838054062.db2.gz QEQGZBNEAZBMAC-UHFFFAOYSA-N 1 2 340.431 0.786 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)[C@H]2CCCCO2)C1 ZINC001267626152 838076144 /nfs/dbraw/zinc/07/61/44/838076144.db2.gz NWQVKAWMYJGLGP-JKSUJKDBSA-N 1 2 349.475 0.912 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[C@H]2CCCCO2)C1 ZINC001267626152 838076155 /nfs/dbraw/zinc/07/61/55/838076155.db2.gz NWQVKAWMYJGLGP-JKSUJKDBSA-N 1 2 349.475 0.912 20 30 ECEDLO C=CCCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC(=O)NCC=C)C1 ZINC001267630131 838087128 /nfs/dbraw/zinc/08/71/28/838087128.db2.gz ZULOSXBWNSJCQG-AWEZNQCLSA-N 1 2 336.436 0.935 20 30 ECEDLO C=CCCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(=O)NCC=C)C1 ZINC001267630131 838087144 /nfs/dbraw/zinc/08/71/44/838087144.db2.gz ZULOSXBWNSJCQG-AWEZNQCLSA-N 1 2 336.436 0.935 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NC(=O)NCC)C2)C1 ZINC001267631912 838092568 /nfs/dbraw/zinc/09/25/68/838092568.db2.gz OMWZKVIMYFNZQB-ZDUSSCGKSA-N 1 2 336.436 0.769 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](CC(=O)NC(=O)NCC)C2)C1 ZINC001267631912 838092578 /nfs/dbraw/zinc/09/25/78/838092578.db2.gz OMWZKVIMYFNZQB-ZDUSSCGKSA-N 1 2 336.436 0.769 20 30 ECEDLO CC#CCCCC(=O)NC1C[NH+](C[C@@H](O)COCC(F)(F)F)C1 ZINC001267656429 838166555 /nfs/dbraw/zinc/16/65/55/838166555.db2.gz LQHXZRUWSDQBTI-CYBMUJFWSA-N 1 2 336.354 0.920 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)C[C@H]2Cc3ccccc3O2)C1 ZINC001267684086 838246230 /nfs/dbraw/zinc/24/62/30/838246230.db2.gz SLUDWKSDNRUJJD-MRXNPFEDSA-N 1 2 341.411 0.178 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2cccc3c[nH]nc32)C1 ZINC001267686901 838250435 /nfs/dbraw/zinc/25/04/35/838250435.db2.gz UQORVVXPNKSBPQ-GFCCVEGCSA-N 1 2 339.399 0.362 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)CCn2nc(C)cc2C)C1 ZINC001267686911 838250591 /nfs/dbraw/zinc/25/05/91/838250591.db2.gz UTQSPTWJXWFVMD-HNNXBMFYSA-N 1 2 345.447 0.076 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)Cc2ccc(C)c(OC)c2)C1 ZINC001267685680 838251955 /nfs/dbraw/zinc/25/19/55/838251955.db2.gz HDVRQUUCQNYKIE-UHFFFAOYSA-N 1 2 343.427 0.344 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2nncc3ccccc32)C1 ZINC001267686130 838253361 /nfs/dbraw/zinc/25/33/61/838253361.db2.gz LQCSXQPOPOIVQS-UHFFFAOYSA-N 1 2 339.399 0.594 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCC1C[NH+](Cc2cnnn2CC)C1 ZINC001267694679 838281578 /nfs/dbraw/zinc/28/15/78/838281578.db2.gz PKWGPQVIYPMEMS-INIZCTEOSA-N 1 2 348.451 0.317 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2cnc(C3CC3)s2)C1 ZINC001267697360 838290680 /nfs/dbraw/zinc/29/06/80/838290680.db2.gz IGTGALQKVFANIV-UHFFFAOYSA-N 1 2 334.445 0.984 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1(COC)CC1 ZINC001267706519 838308894 /nfs/dbraw/zinc/30/88/94/838308894.db2.gz NDVKHNDEMDMPSW-ILXRZTDVSA-N 1 2 333.432 0.226 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1(COC)CC1 ZINC001267706519 838308903 /nfs/dbraw/zinc/30/89/03/838308903.db2.gz NDVKHNDEMDMPSW-ILXRZTDVSA-N 1 2 333.432 0.226 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2coc(OCC)n2)C1 ZINC001267726501 838403702 /nfs/dbraw/zinc/40/37/02/838403702.db2.gz LEFKTZFQFNKYNV-NEPJUHHUSA-N 1 2 334.376 0.015 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2coc(OCC)n2)C1 ZINC001267726501 838403706 /nfs/dbraw/zinc/40/37/06/838403706.db2.gz LEFKTZFQFNKYNV-NEPJUHHUSA-N 1 2 334.376 0.015 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cc3ccccc3o2)C1 ZINC001267728247 838411662 /nfs/dbraw/zinc/41/16/62/838411662.db2.gz ZAFNPMNRNNWKHI-HNNXBMFYSA-N 1 2 339.395 0.915 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cc3ccccc3o2)C1 ZINC001267728247 838411667 /nfs/dbraw/zinc/41/16/67/838411667.db2.gz ZAFNPMNRNNWKHI-HNNXBMFYSA-N 1 2 339.395 0.915 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccnc3c2ncn3C)C1 ZINC001267728998 838412729 /nfs/dbraw/zinc/41/27/29/838412729.db2.gz SETZGFNCCOZLGV-LBPRGKRZSA-N 1 2 342.403 0.075 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccnc3c2ncn3C)C1 ZINC001267728998 838412733 /nfs/dbraw/zinc/41/27/33/838412733.db2.gz SETZGFNCCOZLGV-LBPRGKRZSA-N 1 2 342.403 0.075 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccn(C(C)(C)C)n2)C1 ZINC001267743612 838445335 /nfs/dbraw/zinc/44/53/35/838445335.db2.gz YDCRKOQLVQIAOK-CYBMUJFWSA-N 1 2 333.436 0.744 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccn(C(C)(C)C)n2)C1 ZINC001267743612 838445337 /nfs/dbraw/zinc/44/53/37/838445337.db2.gz YDCRKOQLVQIAOK-CYBMUJFWSA-N 1 2 333.436 0.744 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(COC)o2)C1 ZINC001267744826 838448376 /nfs/dbraw/zinc/44/83/76/838448376.db2.gz LYMMIQSTOQCQTJ-QWHCGFSZSA-N 1 2 333.388 0.368 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc(COC)o2)C1 ZINC001267744826 838448378 /nfs/dbraw/zinc/44/83/78/838448378.db2.gz LYMMIQSTOQCQTJ-QWHCGFSZSA-N 1 2 333.388 0.368 20 30 ECEDLO Cc1noc(C)c1CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267754212 838478634 /nfs/dbraw/zinc/47/86/34/838478634.db2.gz DNWBGCPIJRZBIE-CYBMUJFWSA-N 1 2 333.392 0.054 20 30 ECEDLO Cc1noc(C)c1CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267754212 838478638 /nfs/dbraw/zinc/47/86/38/838478638.db2.gz DNWBGCPIJRZBIE-CYBMUJFWSA-N 1 2 333.392 0.054 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cncc(COC)c2)C1 ZINC001267942091 838827627 /nfs/dbraw/zinc/82/76/27/838827627.db2.gz AMBYXYNIVRRYDO-MRXNPFEDSA-N 1 2 344.415 0.172 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cncc(COC)c2)C1 ZINC001267942091 838827634 /nfs/dbraw/zinc/82/76/34/838827634.db2.gz AMBYXYNIVRRYDO-MRXNPFEDSA-N 1 2 344.415 0.172 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(CC)n2)C1 ZINC001267942380 838827962 /nfs/dbraw/zinc/82/79/62/838827962.db2.gz FJVYQJPRPHJFIX-OAHLLOKOSA-N 1 2 328.416 0.588 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(CC)n2)C1 ZINC001267942380 838827970 /nfs/dbraw/zinc/82/79/70/838827970.db2.gz FJVYQJPRPHJFIX-OAHLLOKOSA-N 1 2 328.416 0.588 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001267949183 838840943 /nfs/dbraw/zinc/84/09/43/838840943.db2.gz BVZNGRFYPCGNDC-RKVPGOIHSA-N 1 2 335.448 0.828 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001267949183 838840946 /nfs/dbraw/zinc/84/09/46/838840946.db2.gz BVZNGRFYPCGNDC-RKVPGOIHSA-N 1 2 335.448 0.828 20 30 ECEDLO COCCNC(=O)CN1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000051121268 214078089 /nfs/dbraw/zinc/07/80/89/214078089.db2.gz HCBFLIYYBYWJCU-UHFFFAOYSA-N 1 2 346.431 0.317 20 30 ECEDLO Cc1nc2n(n1)C[C@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)CC2 ZINC000329470641 282120065 /nfs/dbraw/zinc/12/00/65/282120065.db2.gz YYAPPJLAFADZLD-SGMGOOAPSA-N 1 2 336.440 0.202 20 30 ECEDLO Cc1nc2n(n1)C[C@H](NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)CC2 ZINC000329470641 282120071 /nfs/dbraw/zinc/12/00/71/282120071.db2.gz YYAPPJLAFADZLD-SGMGOOAPSA-N 1 2 336.440 0.202 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccncc2C(F)(F)F)C1 ZINC001077930559 781956371 /nfs/dbraw/zinc/95/63/71/781956371.db2.gz BQMDWJKLDJTQSG-CHWSQXEVSA-N 1 2 327.306 0.899 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccncc2C(F)(F)F)C1 ZINC001077930559 781956380 /nfs/dbraw/zinc/95/63/80/781956380.db2.gz BQMDWJKLDJTQSG-CHWSQXEVSA-N 1 2 327.306 0.899 20 30 ECEDLO C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023258365 212365270 /nfs/dbraw/zinc/36/52/70/212365270.db2.gz JCMVMMURCBMJOP-INIZCTEOSA-N 1 2 342.443 0.923 20 30 ECEDLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000023258365 212365272 /nfs/dbraw/zinc/36/52/72/212365272.db2.gz JCMVMMURCBMJOP-INIZCTEOSA-N 1 2 342.443 0.923 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(OC)ccc2O)CC1 ZINC000265080278 247185201 /nfs/dbraw/zinc/18/52/01/247185201.db2.gz QDOBGNDOSZVPOO-UHFFFAOYSA-N 1 2 345.399 0.298 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(OC)ccc2O)CC1 ZINC000265080278 247185205 /nfs/dbraw/zinc/18/52/05/247185205.db2.gz QDOBGNDOSZVPOO-UHFFFAOYSA-N 1 2 345.399 0.298 20 30 ECEDLO Cn1c(C#N)ccc1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000448735269 211258639 /nfs/dbraw/zinc/25/86/39/211258639.db2.gz JOXWRGLSUXIBQM-UHFFFAOYSA-N 1 2 339.403 0.239 20 30 ECEDLO COC(=O)C[C@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000267727477 251291019 /nfs/dbraw/zinc/29/10/19/251291019.db2.gz ZQTBLJSQNHSWDN-ZBFHGGJFSA-N 1 2 334.372 0.562 20 30 ECEDLO COC(=O)C[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000267727477 251291022 /nfs/dbraw/zinc/29/10/22/251291022.db2.gz ZQTBLJSQNHSWDN-ZBFHGGJFSA-N 1 2 334.372 0.562 20 30 ECEDLO N#Cc1ccc([C@@H](O)C[NH+]2CCN(CC(=O)N3CCCC3)CC2)cc1 ZINC000268600722 252057109 /nfs/dbraw/zinc/05/71/09/252057109.db2.gz IJLHOPGLTWUUPI-SFHVURJKSA-N 1 2 342.443 0.832 20 30 ECEDLO N#Cc1ccc([C@@H](O)CN2CC[NH+](CC(=O)N3CCCC3)CC2)cc1 ZINC000268600722 252057112 /nfs/dbraw/zinc/05/71/12/252057112.db2.gz IJLHOPGLTWUUPI-SFHVURJKSA-N 1 2 342.443 0.832 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494748040 285038552 /nfs/dbraw/zinc/03/85/52/285038552.db2.gz JIKJQPMLVBGBRL-OLZOCXBDSA-N 1 2 330.454 0.008 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494748040 285038556 /nfs/dbraw/zinc/03/85/56/285038556.db2.gz JIKJQPMLVBGBRL-OLZOCXBDSA-N 1 2 330.454 0.008 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1COC(=O)NCCC ZINC000495835243 255048248 /nfs/dbraw/zinc/04/82/48/255048248.db2.gz FGOFJAABPYRLTE-CYBMUJFWSA-N 1 2 340.424 0.989 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1COC(=O)NCCC ZINC000495835243 255048250 /nfs/dbraw/zinc/04/82/50/255048250.db2.gz FGOFJAABPYRLTE-CYBMUJFWSA-N 1 2 340.424 0.989 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1COC(=O)N(C)CC ZINC000495770269 255041375 /nfs/dbraw/zinc/04/13/75/255041375.db2.gz MPCARXBOAKAEEG-CYBMUJFWSA-N 1 2 340.424 0.941 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1COC(=O)N(C)CC ZINC000495770269 255041377 /nfs/dbraw/zinc/04/13/77/255041377.db2.gz MPCARXBOAKAEEG-CYBMUJFWSA-N 1 2 340.424 0.941 20 30 ECEDLO CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000496772997 255128620 /nfs/dbraw/zinc/12/86/20/255128620.db2.gz HDAYEMKNCGGJGL-XHDPSFHLSA-N 1 2 328.413 0.486 20 30 ECEDLO COCCN(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)C(=O)OC(C)(C)C ZINC000496895132 255140108 /nfs/dbraw/zinc/14/01/08/255140108.db2.gz XWXNPEKZFDXNKM-INIZCTEOSA-N 1 2 342.440 0.830 20 30 ECEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000298747849 132395706 /nfs/dbraw/zinc/39/57/06/132395706.db2.gz LQASUVBVOBOCFY-UHFFFAOYSA-N 1 2 343.431 0.503 20 30 ECEDLO C[C@@H](CCS(C)(=O)=O)NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000331051071 286812528 /nfs/dbraw/zinc/81/25/28/286812528.db2.gz YCNBPCRSDODGNI-ZDUSSCGKSA-N 1 2 347.481 0.520 20 30 ECEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000245662326 165112592 /nfs/dbraw/zinc/11/25/92/165112592.db2.gz GIIDTQBKWZQKLL-LSDHHAIUSA-N 1 2 341.371 0.110 20 30 ECEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000245662326 165112595 /nfs/dbraw/zinc/11/25/95/165112595.db2.gz GIIDTQBKWZQKLL-LSDHHAIUSA-N 1 2 341.371 0.110 20 30 ECEDLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1 ZINC000123317478 222255974 /nfs/dbraw/zinc/25/59/74/222255974.db2.gz IMHVMGSCFXECIA-INIZCTEOSA-N 1 2 337.445 0.777 20 30 ECEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000339784073 269892254 /nfs/dbraw/zinc/89/22/54/269892254.db2.gz UXEQMGOHDMJGOV-ZDUSSCGKSA-N 1 2 342.399 0.284 20 30 ECEDLO C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000339784073 269892255 /nfs/dbraw/zinc/89/22/55/269892255.db2.gz UXEQMGOHDMJGOV-ZDUSSCGKSA-N 1 2 342.399 0.284 20 30 ECEDLO Cn1nc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(C#N)cc2)nc1N ZINC000284285012 264194759 /nfs/dbraw/zinc/19/47/59/264194759.db2.gz NOUQWPVVFFEOOJ-DZGCQCFKSA-N 1 2 342.403 0.846 20 30 ECEDLO Cn1nc([C@H]2CCC[N@H+]2C[C@H](O)COc2ccc(C#N)cc2)nc1N ZINC000284285012 264194762 /nfs/dbraw/zinc/19/47/62/264194762.db2.gz NOUQWPVVFFEOOJ-DZGCQCFKSA-N 1 2 342.403 0.846 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C)c(C#N)c2)CC1 ZINC000367018404 270007487 /nfs/dbraw/zinc/00/74/87/270007487.db2.gz YEXVNCOBMULJBN-UHFFFAOYSA-N 1 2 338.411 0.764 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C)c(C#N)c2)CC1 ZINC000367018404 270007488 /nfs/dbraw/zinc/00/74/88/270007488.db2.gz YEXVNCOBMULJBN-UHFFFAOYSA-N 1 2 338.411 0.764 20 30 ECEDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000533761456 270008383 /nfs/dbraw/zinc/00/83/83/270008383.db2.gz JHQILRIUSGRRJP-LBPRGKRZSA-N 1 2 337.401 0.468 20 30 ECEDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000533761456 270008384 /nfs/dbraw/zinc/00/83/84/270008384.db2.gz JHQILRIUSGRRJP-LBPRGKRZSA-N 1 2 337.401 0.468 20 30 ECEDLO CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(C#N)c(C)c1 ZINC000362958928 266106836 /nfs/dbraw/zinc/10/68/36/266106836.db2.gz UFJZCNQNCHOOKF-MRXNPFEDSA-N 1 2 349.456 0.992 20 30 ECEDLO CC[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(C#N)c(C)c1 ZINC000362958928 266106839 /nfs/dbraw/zinc/10/68/39/266106839.db2.gz UFJZCNQNCHOOKF-MRXNPFEDSA-N 1 2 349.456 0.992 20 30 ECEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000367208343 266152431 /nfs/dbraw/zinc/15/24/31/266152431.db2.gz IYARYQLQBVAYAN-HNNXBMFYSA-N 1 2 329.404 0.323 20 30 ECEDLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000367208343 266152432 /nfs/dbraw/zinc/15/24/32/266152432.db2.gz IYARYQLQBVAYAN-HNNXBMFYSA-N 1 2 329.404 0.323 20 30 ECEDLO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2ccc(C#N)o2)C[C@H](C)O1 ZINC000330677062 267050402 /nfs/dbraw/zinc/05/04/02/267050402.db2.gz USWFFRYRIWMLIN-TXEJJXNPSA-N 1 2 327.406 0.929 20 30 ECEDLO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(C#N)o2)C[C@H](C)O1 ZINC000330677062 267050404 /nfs/dbraw/zinc/05/04/04/267050404.db2.gz USWFFRYRIWMLIN-TXEJJXNPSA-N 1 2 327.406 0.929 20 30 ECEDLO C[C@@H]1C[NH+](CCCNS(=O)(=O)c2ccc(C#N)o2)C[C@@H](C)O1 ZINC000330677063 267050935 /nfs/dbraw/zinc/05/09/35/267050935.db2.gz USWFFRYRIWMLIN-VXGBXAGGSA-N 1 2 327.406 0.929 20 30 ECEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000339784072 267068192 /nfs/dbraw/zinc/06/81/92/267068192.db2.gz UXEQMGOHDMJGOV-CYBMUJFWSA-N 1 2 342.399 0.284 20 30 ECEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000339784072 267068196 /nfs/dbraw/zinc/06/81/96/267068196.db2.gz UXEQMGOHDMJGOV-CYBMUJFWSA-N 1 2 342.399 0.284 20 30 ECEDLO C[C@H](CNS(=O)(=O)c1cccnc1C#N)C[NH+]1CCN(C)CC1 ZINC000277065304 267163497 /nfs/dbraw/zinc/16/34/97/267163497.db2.gz RUANHMFWRCSTCQ-CYBMUJFWSA-N 1 2 337.449 0.115 20 30 ECEDLO C[C@H](NC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C)c1ccc(C#N)cc1 ZINC000340153942 267170106 /nfs/dbraw/zinc/17/01/06/267170106.db2.gz BNUXDNDHBRGALW-KBPBESRZSA-N 1 2 344.415 0.572 20 30 ECEDLO C[C@H](NC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C)c1ccc(C#N)cc1 ZINC000340153942 267170108 /nfs/dbraw/zinc/17/01/08/267170108.db2.gz BNUXDNDHBRGALW-KBPBESRZSA-N 1 2 344.415 0.572 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H](C(=O)NCC[NH+]3CCOCC3)C2)c(F)c1 ZINC000285933692 268122778 /nfs/dbraw/zinc/12/27/78/268122778.db2.gz MHEWSDVLSGLJCA-OAHLLOKOSA-N 1 2 346.406 0.972 20 30 ECEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC000373057675 268139648 /nfs/dbraw/zinc/13/96/48/268139648.db2.gz PAWWZXIFJHOCHP-INIZCTEOSA-N 1 2 327.344 0.171 20 30 ECEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1 ZINC000373057675 268139650 /nfs/dbraw/zinc/13/96/50/268139650.db2.gz PAWWZXIFJHOCHP-INIZCTEOSA-N 1 2 327.344 0.171 20 30 ECEDLO N#Cc1ccc(O[C@H]2CCN(C(=O)NCC[NH+]3CCOCC3)C2)nc1 ZINC000292800823 268184087 /nfs/dbraw/zinc/18/40/87/268184087.db2.gz HYXDARBQKNMMQI-HNNXBMFYSA-N 1 2 345.403 0.448 20 30 ECEDLO N#Cc1ccsc1C(=O)N[C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000371029658 268302794 /nfs/dbraw/zinc/30/27/94/268302794.db2.gz YFZPXHMMDGQCBG-AWEZNQCLSA-N 1 2 334.445 0.756 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(c2ncnc3cccc(OC)c32)CC1 ZINC000491773505 275383742 /nfs/dbraw/zinc/38/37/42/275383742.db2.gz VUZMWWYJZCLESH-UHFFFAOYSA-N 1 2 339.399 0.510 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000494748041 279214033 /nfs/dbraw/zinc/21/40/33/279214033.db2.gz JIKJQPMLVBGBRL-QWHCGFSZSA-N 1 2 330.454 0.008 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000494748041 279214035 /nfs/dbraw/zinc/21/40/35/279214035.db2.gz JIKJQPMLVBGBRL-QWHCGFSZSA-N 1 2 330.454 0.008 20 30 ECEDLO C=C(C)CS(=O)(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000189538192 437603961 /nfs/dbraw/zinc/60/39/61/437603961.db2.gz QDRYIPCTRXCASA-UHFFFAOYSA-N 1 2 325.438 0.094 20 30 ECEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000190034053 437615391 /nfs/dbraw/zinc/61/53/91/437615391.db2.gz YEDRCMYVGLBXMM-LBPRGKRZSA-N 1 2 330.388 0.330 20 30 ECEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000190034053 437615397 /nfs/dbraw/zinc/61/53/97/437615397.db2.gz YEDRCMYVGLBXMM-LBPRGKRZSA-N 1 2 330.388 0.330 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(F)cc1C#N ZINC000452102538 297006834 /nfs/dbraw/zinc/00/68/34/297006834.db2.gz IGRLTGJXPLWUIU-LLVKDONJSA-N 1 2 327.381 0.384 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(F)cc1C#N ZINC000452102538 297006836 /nfs/dbraw/zinc/00/68/36/297006836.db2.gz IGRLTGJXPLWUIU-LLVKDONJSA-N 1 2 327.381 0.384 20 30 ECEDLO 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338.429 0.807 20 30 ECEDLO N#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000155788945 436804078 /nfs/dbraw/zinc/80/40/78/436804078.db2.gz TUTGJMPANVJAGG-MRXNPFEDSA-N 1 2 342.399 0.820 20 30 ECEDLO N#Cc1cc(CN2CC[NH+](CC(=O)N3CCOCC3)CC2)ccc1F ZINC000160562466 436874558 /nfs/dbraw/zinc/87/45/58/436874558.db2.gz CXYBHAFHPABFFZ-UHFFFAOYSA-N 1 2 346.406 0.674 20 30 ECEDLO CC#CCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000135957391 436924331 /nfs/dbraw/zinc/92/43/31/436924331.db2.gz YIISXMIXXHSMCD-UHFFFAOYSA-N 1 2 344.419 0.168 20 30 ECEDLO CC#CCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000135957391 436924337 /nfs/dbraw/zinc/92/43/37/436924337.db2.gz YIISXMIXXHSMCD-UHFFFAOYSA-N 1 2 344.419 0.168 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000280285705 436877749 /nfs/dbraw/zinc/87/77/49/436877749.db2.gz ZDZWWUNPYSKREH-GJZGRUSLSA-N 1 2 332.452 0.717 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000280285705 436877754 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ZINC000330369755 437493356 /nfs/dbraw/zinc/49/33/56/437493356.db2.gz CHAPKCANEAUYRL-CYBMUJFWSA-N 1 2 332.470 0.413 20 30 ECEDLO C#CCNc1nc(NC[C@H](O)C(C)C)[nH+]c(NC[C@@H](O)C(C)C)n1 ZINC000290545743 437498728 /nfs/dbraw/zinc/49/87/28/437498728.db2.gz FLOAIMDNVZFULU-BETUJISGSA-N 1 2 336.440 0.774 20 30 ECEDLO C#CCNc1nc(NC[C@H](O)C(C)C)nc(NC[C@@H](O)C(C)C)[nH+]1 ZINC000290545743 437498735 /nfs/dbraw/zinc/49/87/35/437498735.db2.gz FLOAIMDNVZFULU-BETUJISGSA-N 1 2 336.440 0.774 20 30 ECEDLO C#CCNc1nc(NC[C@@H](O)C(C)C)nc(NC[C@H](O)C(C)C)[nH+]1 ZINC000290545743 437498746 /nfs/dbraw/zinc/49/87/46/437498746.db2.gz FLOAIMDNVZFULU-BETUJISGSA-N 1 2 336.440 0.774 20 30 ECEDLO CC(C)OCC[NH+]1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1 ZINC000330418654 437507897 /nfs/dbraw/zinc/50/78/97/437507897.db2.gz PWJWXDPYEIEJGH-AWEZNQCLSA-N 1 2 332.470 0.508 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](O)C2CCCCC2)CC1 ZINC000187788649 437515500 /nfs/dbraw/zinc/51/55/00/437515500.db2.gz IIMMLSASMQRJHV-KRWDZBQOSA-N 1 2 335.448 0.211 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](O)C2CCCCC2)CC1 ZINC000187788649 437515504 /nfs/dbraw/zinc/51/55/04/437515504.db2.gz IIMMLSASMQRJHV-KRWDZBQOSA-N 1 2 335.448 0.211 20 30 ECEDLO CC(C)[C@H](CNC(=O)C(=O)N1CCC(C#N)CC1)[NH+]1CCOCC1 ZINC000339903694 437516094 /nfs/dbraw/zinc/51/60/94/437516094.db2.gz XCWIDQFEANYJGR-HNNXBMFYSA-N 1 2 336.436 0.222 20 30 ECEDLO C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)C(=O)NC(C)(C)C ZINC000330473960 437524477 /nfs/dbraw/zinc/52/44/77/437524477.db2.gz GXNOBFKBVIQELL-GFCCVEGCSA-N 1 2 328.457 0.904 20 30 ECEDLO CC(C)(CNC(=O)N1CCC[C@H](CNC(N)=O)C1)[NH+]1CCOCC1 ZINC000330482074 437527227 /nfs/dbraw/zinc/52/72/27/437527227.db2.gz VZPYSPQVULHRGR-CYBMUJFWSA-N 1 2 341.456 0.806 20 30 ECEDLO Cc1cc(=O)n(C)cc1NC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000330357417 437488576 /nfs/dbraw/zinc/48/85/76/437488576.db2.gz STGJMACUBQJBLJ-AWEZNQCLSA-N 1 2 344.419 0.961 20 30 ECEDLO CN1CCO[C@@H]2C[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C[C@H]21 ZINC000330357727 437489450 /nfs/dbraw/zinc/48/94/50/437489450.db2.gz TXISMLOESNDBBT-BFHYXJOUSA-N 1 2 332.429 0.740 20 30 ECEDLO CN1CCO[C@@H]2C[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C[C@H]21 ZINC000330357727 437489453 /nfs/dbraw/zinc/48/94/53/437489453.db2.gz TXISMLOESNDBBT-BFHYXJOUSA-N 1 2 332.429 0.740 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000330368876 437490607 /nfs/dbraw/zinc/49/06/07/437490607.db2.gz ASVDEXDQAROGJT-AWEZNQCLSA-N 1 2 337.449 0.930 20 30 ECEDLO C=C[C@H](CO)NC(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000291432221 437591668 /nfs/dbraw/zinc/59/16/68/437591668.db2.gz ZGVXZYBZIODTMN-CYBMUJFWSA-N 1 2 342.440 0.385 20 30 ECEDLO C[C@H](Cn1cc[nH+]c1)NC([O-])=[NH+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000330561691 437551632 /nfs/dbraw/zinc/55/16/32/437551632.db2.gz CGHKEBLHMHUHTJ-JHJVBQTASA-N 1 2 343.453 0.636 20 30 ECEDLO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000330561691 437551635 /nfs/dbraw/zinc/55/16/35/437551635.db2.gz CGHKEBLHMHUHTJ-JHJVBQTASA-N 1 2 343.453 0.636 20 30 ECEDLO Cc1ccc(S(N)(=O)=O)c(C(=O)NCC[N@H+]2CCOC[C@@H]2C)c1 ZINC000330579499 437559334 /nfs/dbraw/zinc/55/93/34/437559334.db2.gz KCWWQOAMVTXBGJ-LBPRGKRZSA-N 1 2 341.433 0.668 20 30 ECEDLO Cc1ccc(S(N)(=O)=O)c(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)c1 ZINC000330579499 437559337 /nfs/dbraw/zinc/55/93/37/437559337.db2.gz KCWWQOAMVTXBGJ-LBPRGKRZSA-N 1 2 341.433 0.668 20 30 ECEDLO COC(=O)CN1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000330596608 437563112 /nfs/dbraw/zinc/56/31/12/437563112.db2.gz DDBNNCPGFCNFHS-AWEZNQCLSA-N 1 2 336.436 0.508 20 30 ECEDLO CNS(=O)(=O)c1cccc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)c1 ZINC000330619899 437569123 /nfs/dbraw/zinc/56/91/23/437569123.db2.gz IVBZONYQPNPCTA-LBPRGKRZSA-N 1 2 341.433 0.620 20 30 ECEDLO CNS(=O)(=O)c1cccc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)c1 ZINC000330619899 437569126 /nfs/dbraw/zinc/56/91/26/437569126.db2.gz IVBZONYQPNPCTA-LBPRGKRZSA-N 1 2 341.433 0.620 20 30 ECEDLO C=C[C@H](CO)NC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000291229212 437571422 /nfs/dbraw/zinc/57/14/22/437571422.db2.gz KMTVWJNBZAGOBX-MRXNPFEDSA-N 1 2 349.431 0.744 20 30 ECEDLO C#Cc1cccc(NC(=O)CN(C)C(=O)c2n[nH]c3c2C[NH2+]CC3)c1 ZINC000188861069 437575705 /nfs/dbraw/zinc/57/57/05/437575705.db2.gz WHQDQLURFATMDJ-UHFFFAOYSA-N 1 2 337.383 0.747 20 30 ECEDLO CC#CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000190515199 437628792 /nfs/dbraw/zinc/62/87/92/437628792.db2.gz MBHAEASRPIOLRT-UHFFFAOYSA-N 1 2 328.416 0.512 20 30 ECEDLO C[C@@H](CO)N(C)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330896351 437643211 /nfs/dbraw/zinc/64/32/11/437643211.db2.gz SNMVUUIGVPQYLP-LBPRGKRZSA-N 1 2 335.408 0.327 20 30 ECEDLO CNS(=O)(=O)NC1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000330918789 437650510 /nfs/dbraw/zinc/65/05/10/437650510.db2.gz NODOBIRGDCWHSY-UHFFFAOYSA-N 1 2 326.397 0.716 20 30 ECEDLO CC(=O)Nc1nc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cs1 ZINC000330939759 437653826 /nfs/dbraw/zinc/65/38/26/437653826.db2.gz DCZVHHKKNDEYCX-CQSZACIVSA-N 1 2 342.421 0.489 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000330954884 437656737 /nfs/dbraw/zinc/65/67/37/437656737.db2.gz SYSZOUCEVPQSFT-JKSUJKDBSA-N 1 2 337.464 0.980 20 30 ECEDLO O=C(C[N@H+]1CCSC[C@@H]1CCO)NC(=O)NCC(F)(F)F ZINC000330978281 437661691 /nfs/dbraw/zinc/66/16/91/437661691.db2.gz OWGIHWWYUKYWDG-QMMMGPOBSA-N 1 2 329.344 0.379 20 30 ECEDLO O=C(C[N@@H+]1CCSC[C@@H]1CCO)NC(=O)NCC(F)(F)F ZINC000330978281 437661695 /nfs/dbraw/zinc/66/16/95/437661695.db2.gz OWGIHWWYUKYWDG-QMMMGPOBSA-N 1 2 329.344 0.379 20 30 ECEDLO CN(C)C(=O)CCCNC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000331029586 437673551 /nfs/dbraw/zinc/67/35/51/437673551.db2.gz RVOXZEOFENTUPY-ZDUSSCGKSA-N 1 2 336.440 0.491 20 30 ECEDLO CC#CCCNC(=O)N1CC[NH+]([C@H](C)C(=O)NCCCOC)CC1 ZINC000361646669 437678563 /nfs/dbraw/zinc/67/85/63/437678563.db2.gz HTFMTDOWISNTJX-OAHLLOKOSA-N 1 2 338.452 0.268 20 30 ECEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000362050280 437713251 /nfs/dbraw/zinc/71/32/51/437713251.db2.gz NZSIJLTWGRVUIP-LBPRGKRZSA-N 1 2 341.433 0.795 20 30 ECEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000362050280 437713253 /nfs/dbraw/zinc/71/32/53/437713253.db2.gz NZSIJLTWGRVUIP-LBPRGKRZSA-N 1 2 341.433 0.795 20 30 ECEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000362234158 437725466 /nfs/dbraw/zinc/72/54/66/437725466.db2.gz GYQUMRSDOQIESI-UHFFFAOYSA-N 1 2 344.394 0.999 20 30 ECEDLO Cc1c(CNC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)cnn1C ZINC000331251262 437725574 /nfs/dbraw/zinc/72/55/74/437725574.db2.gz SUNLKNRPVXAPCR-ZDUSSCGKSA-N 1 2 338.412 0.310 20 30 ECEDLO Cc1c(CNC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)cnn1C ZINC000331251262 437725576 /nfs/dbraw/zinc/72/55/76/437725576.db2.gz SUNLKNRPVXAPCR-ZDUSSCGKSA-N 1 2 338.412 0.310 20 30 ECEDLO CC[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000355748159 437729570 /nfs/dbraw/zinc/72/95/70/437729570.db2.gz JBVBXQCAHLXWAH-ZDUSSCGKSA-N 1 2 347.400 0.827 20 30 ECEDLO COC[C@@H]1CN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C[C@@H](C)O1 ZINC000331264416 437729692 /nfs/dbraw/zinc/72/96/92/437729692.db2.gz OPIYCJWFKBBWFE-KGLIPLIRSA-N 1 2 329.441 0.747 20 30 ECEDLO COC[C@@H]1CN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C[C@@H](C)O1 ZINC000331264416 437729695 /nfs/dbraw/zinc/72/96/95/437729695.db2.gz OPIYCJWFKBBWFE-KGLIPLIRSA-N 1 2 329.441 0.747 20 30 ECEDLO CO[C@@H](C)CNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000331271599 437731038 /nfs/dbraw/zinc/73/10/38/437731038.db2.gz BMOSZEWRHBRELY-LBPRGKRZSA-N 1 2 335.408 0.830 20 30 ECEDLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 ZINC000331310624 437738545 /nfs/dbraw/zinc/73/85/45/437738545.db2.gz YXCFRDGAWLPECK-GFCCVEGCSA-N 1 2 341.408 0.526 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 ZINC000363320830 437780707 /nfs/dbraw/zinc/78/07/07/437780707.db2.gz IXBNJAIINYMYSE-KBPBESRZSA-N 1 2 334.420 0.544 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 ZINC000363320830 437780710 /nfs/dbraw/zinc/78/07/10/437780710.db2.gz IXBNJAIINYMYSE-KBPBESRZSA-N 1 2 334.420 0.544 20 30 ECEDLO CNC(=O)C[N@@H+]1CCCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000363381332 437784433 /nfs/dbraw/zinc/78/44/33/437784433.db2.gz CEWOEVXGWZZHOO-UHFFFAOYSA-N 1 2 333.367 0.983 20 30 ECEDLO CNC(=O)C[N@H+]1CCCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000363381332 437784439 /nfs/dbraw/zinc/78/44/39/437784439.db2.gz CEWOEVXGWZZHOO-UHFFFAOYSA-N 1 2 333.367 0.983 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCCN(S(N)(=O)=O)CC1 ZINC000363512752 437794546 /nfs/dbraw/zinc/79/45/46/437794546.db2.gz SPIBPNJFWKYEMG-CYBMUJFWSA-N 1 2 332.470 0.011 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCCN(S(N)(=O)=O)CC1 ZINC000363512752 437794549 /nfs/dbraw/zinc/79/45/49/437794549.db2.gz SPIBPNJFWKYEMG-CYBMUJFWSA-N 1 2 332.470 0.011 20 30 ECEDLO CC(C)(C#N)CC[NH+]1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000345732669 437796752 /nfs/dbraw/zinc/79/67/52/437796752.db2.gz VAQDZWCXKKPQAC-UHFFFAOYSA-N 1 2 330.454 0.121 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000363533344 437797807 /nfs/dbraw/zinc/79/78/07/437797807.db2.gz BPHSUPFGQBBGMG-UONOGXRCSA-N 1 2 331.482 0.813 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000363533344 437797812 /nfs/dbraw/zinc/79/78/12/437797812.db2.gz BPHSUPFGQBBGMG-UONOGXRCSA-N 1 2 331.482 0.813 20 30 ECEDLO Cc1cn2c([nH+]1)CN(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)CC2 ZINC000363714432 437804551 /nfs/dbraw/zinc/80/45/51/437804551.db2.gz PTFWLWZCRNTAOW-INIZCTEOSA-N 1 2 344.463 0.700 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000341189373 437811592 /nfs/dbraw/zinc/81/15/92/437811592.db2.gz LYGZHRBWBPKJJG-GFCCVEGCSA-N 1 2 335.383 0.743 20 30 ECEDLO Cc1nn(C)c(N2CC[NH+](CC(=O)N3CCCCC3)CC2)c1C#N ZINC000346647473 437816027 /nfs/dbraw/zinc/81/60/27/437816027.db2.gz FPTYEMOCBLZWJZ-UHFFFAOYSA-N 1 2 330.436 0.735 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccnc(C#N)c2)CC1 ZINC000341987103 437933920 /nfs/dbraw/zinc/93/39/20/437933920.db2.gz XLDGQMJGZVTGSI-AWEZNQCLSA-N 1 2 331.420 0.616 20 30 ECEDLO COCC1(C#N)CC[NH+](CC(=O)NC(=O)NCc2ccco2)CC1 ZINC000341999742 437938428 /nfs/dbraw/zinc/93/84/28/437938428.db2.gz VDANFXONZZEFGN-UHFFFAOYSA-N 1 2 334.376 0.858 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000342164533 437973179 /nfs/dbraw/zinc/97/31/79/437973179.db2.gz XGHWMNOSDCNFSD-UHFFFAOYSA-N 1 2 333.436 0.327 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(C(=O)OC)s1 ZINC000425480100 438024697 /nfs/dbraw/zinc/02/46/97/438024697.db2.gz DWJYSKNKCSPOQL-BDAKNGLRSA-N 1 2 340.405 0.981 20 30 ECEDLO C=CCOc1cccnc1C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000342346064 438006596 /nfs/dbraw/zinc/00/65/96/438006596.db2.gz HVZCAKMHDRSCIY-QGZVFWFLSA-N 1 2 335.404 0.459 20 30 ECEDLO COC(=O)CN(CC#N)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000348797608 438102914 /nfs/dbraw/zinc/10/29/14/438102914.db2.gz JMDDMPWHIPCRQA-UHFFFAOYSA-N 1 2 331.372 0.658 20 30 ECEDLO CCOC(=O)C1(O)CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000348540629 438073201 /nfs/dbraw/zinc/07/32/01/438073201.db2.gz ZXOTUWISFBKNTH-HNNXBMFYSA-N 1 2 325.409 0.431 20 30 ECEDLO N#CCNC(=O)CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000349371567 438148399 /nfs/dbraw/zinc/14/83/99/438148399.db2.gz CSUAIFDAFHJSHW-UHFFFAOYSA-N 1 2 342.359 0.723 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1C ZINC000349775138 438179407 /nfs/dbraw/zinc/17/94/07/438179407.db2.gz JWCVBWPWDYRNDO-HZSPNIEDSA-N 1 2 330.454 0.118 20 30 ECEDLO Cc1nn(C)c(N2CC[NH+](CC(=O)N3CCC[C@H](C)C3)CC2)c1C#N ZINC000349882767 438186644 /nfs/dbraw/zinc/18/66/44/438186644.db2.gz NIQFSGBNNHVRKF-AWEZNQCLSA-N 1 2 344.463 0.981 20 30 ECEDLO C=CCN1C(=O)c2ccc(C(=O)N3CC[NH+](CCO)CC3)cc2C1=O ZINC000350020256 438193726 /nfs/dbraw/zinc/19/37/26/438193726.db2.gz WEJLFELHVORLPE-UHFFFAOYSA-N 1 2 343.383 0.219 20 30 ECEDLO C#CCNC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000367004623 438152595 /nfs/dbraw/zinc/15/25/95/438152595.db2.gz UTUYBKBAWHCNHE-CQSZACIVSA-N 1 2 336.436 0.956 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH2+][C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000373607787 438161888 /nfs/dbraw/zinc/16/18/88/438161888.db2.gz IHAFODLTGOPIFI-SNVBAGLBSA-N 1 2 348.367 0.153 20 30 ECEDLO C=CC[N@@H+](C[C@H](O)COCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000432836384 438211914 /nfs/dbraw/zinc/21/19/14/438211914.db2.gz UBBKSTDRDZIARG-MNOVXSKESA-N 1 2 331.356 0.601 20 30 ECEDLO C=CC[N@H+](C[C@H](O)COCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000432836384 438211918 /nfs/dbraw/zinc/21/19/18/438211918.db2.gz UBBKSTDRDZIARG-MNOVXSKESA-N 1 2 331.356 0.601 20 30 ECEDLO C=CC[N@@H+](C[C@@H](O)COCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000432836386 438212669 /nfs/dbraw/zinc/21/26/69/438212669.db2.gz UBBKSTDRDZIARG-WDEREUQCSA-N 1 2 331.356 0.601 20 30 ECEDLO C=CC[N@H+](C[C@@H](O)COCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000432836386 438212672 /nfs/dbraw/zinc/21/26/72/438212672.db2.gz UBBKSTDRDZIARG-WDEREUQCSA-N 1 2 331.356 0.601 20 30 ECEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000358399198 438216623 /nfs/dbraw/zinc/21/66/23/438216623.db2.gz MDQMXBAKKBWRGK-AWEZNQCLSA-N 1 2 329.335 1.152 20 30 ECEDLO C[N@H+]1CCO[C@H](C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000358399198 438216628 /nfs/dbraw/zinc/21/66/28/438216628.db2.gz MDQMXBAKKBWRGK-AWEZNQCLSA-N 1 2 329.335 1.152 20 30 ECEDLO CN1CCN(C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)C[C@@H]1C#N ZINC000375235448 438244360 /nfs/dbraw/zinc/24/43/60/438244360.db2.gz YODTUIKODBXPLE-GJZGRUSLSA-N 1 2 328.420 0.900 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000374446904 438210598 /nfs/dbraw/zinc/21/05/98/438210598.db2.gz OJZPMVQWBUUTQS-KGLIPLIRSA-N 1 2 330.454 0.119 20 30 ECEDLO CN1C(=O)[C@@H]2C[N@H+](CC(=O)Nc3ccc(C#N)cc3)CCN2C1=O ZINC000375857354 438264597 /nfs/dbraw/zinc/26/45/97/438264597.db2.gz CBIFMHPXNZDPAS-ZDUSSCGKSA-N 1 2 327.344 0.075 20 30 ECEDLO CN1C(=O)[C@@H]2C[N@@H+](CC(=O)Nc3ccc(C#N)cc3)CCN2C1=O ZINC000375857354 438264600 /nfs/dbraw/zinc/26/46/00/438264600.db2.gz CBIFMHPXNZDPAS-ZDUSSCGKSA-N 1 2 327.344 0.075 20 30 ECEDLO CCOC(=O)COCC[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000351710935 438324011 /nfs/dbraw/zinc/32/40/11/438324011.db2.gz WQWHWXLUFFSQHY-FZKQIMNGSA-N 1 2 343.383 0.912 20 30 ECEDLO CCOC(=O)COCC[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000351710935 438324015 /nfs/dbraw/zinc/32/40/15/438324015.db2.gz WQWHWXLUFFSQHY-FZKQIMNGSA-N 1 2 343.383 0.912 20 30 ECEDLO Cc1nc(C(=O)N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)ccc1C#N ZINC000377965900 438333863 /nfs/dbraw/zinc/33/38/63/438333863.db2.gz QGUNMWAZPQBAPM-MRXNPFEDSA-N 1 2 341.415 0.688 20 30 ECEDLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)C2(C#N)CCOCC2)CC1 ZINC000369139656 438427311 /nfs/dbraw/zinc/42/73/11/438427311.db2.gz ZRBJXKHBLXIMIG-UHFFFAOYSA-N 1 2 336.436 0.366 20 30 ECEDLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)C2(C#N)CCOCC2)CC1 ZINC000369139656 438427312 /nfs/dbraw/zinc/42/73/12/438427312.db2.gz ZRBJXKHBLXIMIG-UHFFFAOYSA-N 1 2 336.436 0.366 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000352558603 438442674 /nfs/dbraw/zinc/44/26/74/438442674.db2.gz ATKYRMIMFMDSTR-KBPBESRZSA-N 1 2 344.481 0.350 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000352558603 438442676 /nfs/dbraw/zinc/44/26/76/438442676.db2.gz ATKYRMIMFMDSTR-KBPBESRZSA-N 1 2 344.481 0.350 20 30 ECEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000352238341 438402084 /nfs/dbraw/zinc/40/20/84/438402084.db2.gz OHHZANLUTAFKAU-CQSZACIVSA-N 1 2 333.436 0.915 20 30 ECEDLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1cc(C#N)ccc1OC ZINC000438022366 438464590 /nfs/dbraw/zinc/46/45/90/438464590.db2.gz HWKSCGDURLPHIR-UHFFFAOYSA-N 1 2 347.415 0.874 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000352603995 438447602 /nfs/dbraw/zinc/44/76/02/438447602.db2.gz RBFIJKBPTVDFNB-ZIAGYGMSSA-N 1 2 330.454 0.262 20 30 ECEDLO C[C@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)CC2(CCOCC2)O1 ZINC000369281423 438447620 /nfs/dbraw/zinc/44/76/20/438447620.db2.gz CIMYGIYBEVIQEL-HNNXBMFYSA-N 1 2 334.420 0.912 20 30 ECEDLO C[C@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)CC2(CCOCC2)O1 ZINC000369281423 438447624 /nfs/dbraw/zinc/44/76/24/438447624.db2.gz CIMYGIYBEVIQEL-HNNXBMFYSA-N 1 2 334.420 0.912 20 30 ECEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1c(C#N)c(=O)n(C)c(=O)n1C ZINC000369312847 438452778 /nfs/dbraw/zinc/45/27/78/438452778.db2.gz SXAQHPBXHDDRTO-UHFFFAOYSA-N 1 2 328.376 0.125 20 30 ECEDLO C#CC[C@H](C)NC(=O)N1C[C@@H](O)[C@@H]([N@H+](CC)Cc2nnc(C)o2)C1 ZINC000369636339 438498705 /nfs/dbraw/zinc/49/87/05/438498705.db2.gz GPSUWAQXCZHBQG-FPMFFAJLSA-N 1 2 335.408 0.366 20 30 ECEDLO C#CC[C@H](C)NC(=O)N1C[C@@H](O)[C@@H]([N@@H+](CC)Cc2nnc(C)o2)C1 ZINC000369636339 438498706 /nfs/dbraw/zinc/49/87/06/438498706.db2.gz GPSUWAQXCZHBQG-FPMFFAJLSA-N 1 2 335.408 0.366 20 30 ECEDLO C#CC[C@@H](C)NC(=O)N1C[C@@H](O)[C@@H]([N@H+](CC)Cc2nnc(C)o2)C1 ZINC000369636341 438498728 /nfs/dbraw/zinc/49/87/28/438498728.db2.gz GPSUWAQXCZHBQG-KWCYVHTRSA-N 1 2 335.408 0.366 20 30 ECEDLO C#CC[C@@H](C)NC(=O)N1C[C@@H](O)[C@@H]([N@@H+](CC)Cc2nnc(C)o2)C1 ZINC000369636341 438498731 /nfs/dbraw/zinc/49/87/31/438498731.db2.gz GPSUWAQXCZHBQG-KWCYVHTRSA-N 1 2 335.408 0.366 20 30 ECEDLO Cc1cc(C#N)cc(N2CC[NH+]([C@@H](C)C(=O)N3CCOCC3)CC2)n1 ZINC000408105505 438513704 /nfs/dbraw/zinc/51/37/04/438513704.db2.gz HITQHFSHTJZJAK-HNNXBMFYSA-N 1 2 343.431 0.631 20 30 ECEDLO C#CCNC(=O)C1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000369981078 438537959 /nfs/dbraw/zinc/53/79/59/438537959.db2.gz BFVGHUMYNGSCQF-UHFFFAOYSA-N 1 2 333.432 0.229 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000369988149 438538076 /nfs/dbraw/zinc/53/80/76/438538076.db2.gz URVMTUVUQRJJES-ZDUSSCGKSA-N 1 2 340.449 0.969 20 30 ECEDLO Cc1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)ccc1C#N ZINC000451892743 438613844 /nfs/dbraw/zinc/61/38/44/438613844.db2.gz WHYAGGKLNPVEHR-OKILXGFUSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)ccc1C#N ZINC000451892743 438613847 /nfs/dbraw/zinc/61/38/47/438613847.db2.gz WHYAGGKLNPVEHR-OKILXGFUSA-N 1 2 337.445 0.942 20 30 ECEDLO COc1ccc(N2CC[NH+](CC(=O)NC3(C#N)CCC3)CC2)nc1 ZINC000452057389 438632181 /nfs/dbraw/zinc/63/21/81/438632181.db2.gz LDMUGHKIAMQBEN-UHFFFAOYSA-N 1 2 329.404 0.775 20 30 ECEDLO C=CCN(CCc1ccco1)C(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000410821736 438663564 /nfs/dbraw/zinc/66/35/64/438663564.db2.gz CNGJDFSLXPVSHQ-UHFFFAOYSA-N 1 2 349.431 0.627 20 30 ECEDLO C[C@H]([C@H](C)NC(=O)C(=O)Nc1cccc(CC#N)c1)[NH+]1CCOCC1 ZINC000453639170 438686492 /nfs/dbraw/zinc/68/64/92/438686492.db2.gz KBDLIQGDQAKJRS-UONOGXRCSA-N 1 2 344.415 0.917 20 30 ECEDLO Cc1ccc([C@@]2(C)NC(=O)N(C[C@H](O)C[N@H+](C)CCC#N)C2=O)o1 ZINC000414156607 438699539 /nfs/dbraw/zinc/69/95/39/438699539.db2.gz VAVJCVBYCIGXDB-MLGOLLRUSA-N 1 2 334.376 0.561 20 30 ECEDLO Cc1ccc([C@@]2(C)NC(=O)N(C[C@H](O)C[N@@H+](C)CCC#N)C2=O)o1 ZINC000414156607 438699541 /nfs/dbraw/zinc/69/95/41/438699541.db2.gz VAVJCVBYCIGXDB-MLGOLLRUSA-N 1 2 334.376 0.561 20 30 ECEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000494747440 438707770 /nfs/dbraw/zinc/70/77/70/438707770.db2.gz TVMJJUIRAFBPNM-AWEZNQCLSA-N 1 2 336.417 0.510 20 30 ECEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000494747440 438707771 /nfs/dbraw/zinc/70/77/71/438707771.db2.gz TVMJJUIRAFBPNM-AWEZNQCLSA-N 1 2 336.417 0.510 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccnc(C#N)n2)CC1 ZINC000576715386 438794898 /nfs/dbraw/zinc/79/48/98/438794898.db2.gz IJNKBGZXHOFLHD-CYBMUJFWSA-N 1 2 332.408 0.011 20 30 ECEDLO CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000576041900 438766088 /nfs/dbraw/zinc/76/60/88/438766088.db2.gz ZFFHWQSTZSIHCR-SNVBAGLBSA-N 1 2 342.407 0.718 20 30 ECEDLO CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000576041900 438766091 /nfs/dbraw/zinc/76/60/91/438766091.db2.gz ZFFHWQSTZSIHCR-SNVBAGLBSA-N 1 2 342.407 0.718 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000497256059 438785457 /nfs/dbraw/zinc/78/54/57/438785457.db2.gz BYHDBNKNELVUFQ-SUMWQHHRSA-N 1 2 341.452 0.981 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000497256059 438785460 /nfs/dbraw/zinc/78/54/60/438785460.db2.gz BYHDBNKNELVUFQ-SUMWQHHRSA-N 1 2 341.452 0.981 20 30 ECEDLO Cc1c(C#N)c(=O)n(CC[NH+]2C[C@@H](C)O[C@H](C)C2)c(=O)n1C1CC1 ZINC000601092724 438819027 /nfs/dbraw/zinc/81/90/27/438819027.db2.gz NPTONRWWPWDHNS-VXGBXAGGSA-N 1 2 332.404 0.634 20 30 ECEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000595614379 438835072 /nfs/dbraw/zinc/83/50/72/438835072.db2.gz HCHIMYXGNVJWOG-LBPRGKRZSA-N 1 2 336.417 0.898 20 30 ECEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000595614379 438835074 /nfs/dbraw/zinc/83/50/74/438835074.db2.gz HCHIMYXGNVJWOG-LBPRGKRZSA-N 1 2 336.417 0.898 20 30 ECEDLO N#CCCN1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000601261278 438835458 /nfs/dbraw/zinc/83/54/58/438835458.db2.gz AFWDNFBFYOBSPM-OAHLLOKOSA-N 1 2 330.436 0.863 20 30 ECEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC(=O)NCC#N)c1ccccc1 ZINC000561421576 438847369 /nfs/dbraw/zinc/84/73/69/438847369.db2.gz BASLTONRHGJYGT-AWEZNQCLSA-N 1 2 326.360 0.448 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)c1ccccc1CC#N ZINC000601443993 438896430 /nfs/dbraw/zinc/89/64/30/438896430.db2.gz MRLHYXYENHSDDR-ZIAGYGMSSA-N 1 2 337.445 0.828 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)c1ccccc1CC#N ZINC000601443993 438896435 /nfs/dbraw/zinc/89/64/35/438896435.db2.gz MRLHYXYENHSDDR-ZIAGYGMSSA-N 1 2 337.445 0.828 20 30 ECEDLO N#Cc1ccncc1N1CC[NH+](CC[C@H]2CCS(=O)(=O)C2)CC1 ZINC000590013956 438897245 /nfs/dbraw/zinc/89/72/45/438897245.db2.gz ZKDZEVRUCXIQOL-AWEZNQCLSA-N 1 2 334.445 0.900 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000601454014 438900969 /nfs/dbraw/zinc/90/09/69/438900969.db2.gz ZXYCENRDKGENSD-MCIONIFRSA-N 1 2 344.481 0.554 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O ZINC000595792217 438862436 /nfs/dbraw/zinc/86/24/36/438862436.db2.gz YRIVKTQJUCESDF-IMJJTQAJSA-N 1 2 336.413 0.811 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O ZINC000595792217 438862443 /nfs/dbraw/zinc/86/24/43/438862443.db2.gz YRIVKTQJUCESDF-IMJJTQAJSA-N 1 2 336.413 0.811 20 30 ECEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cccc(C#N)n2)CC1 ZINC000589284455 438868515 /nfs/dbraw/zinc/86/85/15/438868515.db2.gz VPAHVKJVNBNVHY-UHFFFAOYSA-N 1 2 343.431 0.970 20 30 ECEDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cccc(C#N)n2)CC1 ZINC000589284455 438868519 /nfs/dbraw/zinc/86/85/19/438868519.db2.gz VPAHVKJVNBNVHY-UHFFFAOYSA-N 1 2 343.431 0.970 20 30 ECEDLO N#Cc1cncc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000589285559 438868884 /nfs/dbraw/zinc/86/88/84/438868884.db2.gz YTOMODLDFIQEJM-LSDHHAIUSA-N 1 2 336.417 0.173 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000601424921 438888651 /nfs/dbraw/zinc/88/86/51/438888651.db2.gz RIZSPWUOSLRBDJ-HUUCEWRRSA-N 1 2 344.481 0.509 20 30 ECEDLO C[N@@H+]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)[C@H](CO)C1 ZINC000601469322 438908921 /nfs/dbraw/zinc/90/89/21/438908921.db2.gz ORXKRXWJIDLJBG-JTQLQIEISA-N 1 2 329.809 0.509 20 30 ECEDLO C[N@H+]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)[C@H](CO)C1 ZINC000601469322 438908925 /nfs/dbraw/zinc/90/89/25/438908925.db2.gz ORXKRXWJIDLJBG-JTQLQIEISA-N 1 2 329.809 0.509 20 30 ECEDLO COC(=O)c1cccnc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000459361687 438959808 /nfs/dbraw/zinc/95/98/08/438959808.db2.gz PNQGUWGPWPGHSV-UHFFFAOYSA-N 1 2 332.404 0.916 20 30 ECEDLO C[C@@H](C(=O)N1CC(Nc2cccc(C#N)c2)C1)[NH+]1CCN(C)CC1 ZINC000601676986 438953649 /nfs/dbraw/zinc/95/36/49/438953649.db2.gz HBDNZPBIQSTLTK-AWEZNQCLSA-N 1 2 327.432 0.817 20 30 ECEDLO CC(C)(CC#N)CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000459423306 438967315 /nfs/dbraw/zinc/96/73/15/438967315.db2.gz HDOUINBJGZNEAD-UHFFFAOYSA-N 1 2 334.424 1.277 20 30 ECEDLO Cc1nn(C)c(N2CC[NH+](CCNC(=O)NC(C)C)CC2)c1C#N ZINC000565715111 438973823 /nfs/dbraw/zinc/97/38/23/438973823.db2.gz VELCGXQPUSFGDO-UHFFFAOYSA-N 1 2 333.440 0.430 20 30 ECEDLO C[C@H](C#N)CNC(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000596552203 438975390 /nfs/dbraw/zinc/97/53/90/438975390.db2.gz SVSCVSOWLHGVSW-QAPCUYQASA-N 1 2 346.431 0.709 20 30 ECEDLO C[C@H](C#N)CNC(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000596552203 438975394 /nfs/dbraw/zinc/97/53/94/438975394.db2.gz SVSCVSOWLHGVSW-QAPCUYQASA-N 1 2 346.431 0.709 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccn4nnnc4c3)CC2)cc1 ZINC000596657707 438984936 /nfs/dbraw/zinc/98/49/36/438984936.db2.gz AQLQENAYLVMODR-UHFFFAOYSA-N 1 2 347.382 0.954 20 30 ECEDLO C=C(C)CN(CC)C(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000459819992 439005081 /nfs/dbraw/zinc/00/50/81/439005081.db2.gz GZRDJYCVRAAZCZ-UHFFFAOYSA-N 1 2 325.453 0.980 20 30 ECEDLO C=C(C)CN(CC)C(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000459819992 439005089 /nfs/dbraw/zinc/00/50/89/439005089.db2.gz GZRDJYCVRAAZCZ-UHFFFAOYSA-N 1 2 325.453 0.980 20 30 ECEDLO CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597451745 439101964 /nfs/dbraw/zinc/10/19/64/439101964.db2.gz QVJFPENBTSANAU-SNVBAGLBSA-N 1 2 327.392 0.783 20 30 ECEDLO CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597451745 439101972 /nfs/dbraw/zinc/10/19/72/439101972.db2.gz QVJFPENBTSANAU-SNVBAGLBSA-N 1 2 327.392 0.783 20 30 ECEDLO C[C@](O)(C[C@H](O)CN(CCC#N)CC[NH+]1CCOCC1)C1CC1 ZINC000602779872 439135344 /nfs/dbraw/zinc/13/53/44/439135344.db2.gz UAGYERSRAIYLRF-IRXDYDNUSA-N 1 2 325.453 0.446 20 30 ECEDLO C[C@](O)(C[C@H](O)C[N@H+](CCC#N)CCN1CCOCC1)C1CC1 ZINC000602779872 439135348 /nfs/dbraw/zinc/13/53/48/439135348.db2.gz UAGYERSRAIYLRF-IRXDYDNUSA-N 1 2 325.453 0.446 20 30 ECEDLO C[C@](O)(C[C@H](O)C[N@@H+](CCC#N)CCN1CCOCC1)C1CC1 ZINC000602779872 439135353 /nfs/dbraw/zinc/13/53/53/439135353.db2.gz UAGYERSRAIYLRF-IRXDYDNUSA-N 1 2 325.453 0.446 20 30 ECEDLO CCC[N@H+](Cc1cnc2c(C#N)cnn2c1)[C@@H]1CC(=O)N(C)C1=O ZINC000580834442 439137828 /nfs/dbraw/zinc/13/78/28/439137828.db2.gz FAZXWFGMTPMDNX-CYBMUJFWSA-N 1 2 326.360 0.570 20 30 ECEDLO CCC[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@@H]1CC(=O)N(C)C1=O ZINC000580834442 439137830 /nfs/dbraw/zinc/13/78/30/439137830.db2.gz FAZXWFGMTPMDNX-CYBMUJFWSA-N 1 2 326.360 0.570 20 30 ECEDLO C=CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000602792629 439137964 /nfs/dbraw/zinc/13/79/64/439137964.db2.gz PZSVSDIJLLQJPX-GFCCVEGCSA-N 1 2 328.394 0.775 20 30 ECEDLO C=CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000602792629 439137967 /nfs/dbraw/zinc/13/79/67/439137967.db2.gz PZSVSDIJLLQJPX-GFCCVEGCSA-N 1 2 328.394 0.775 20 30 ECEDLO COC(=O)[C@]1(C)C[C@H](OC)C[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000602930132 439163125 /nfs/dbraw/zinc/16/31/25/439163125.db2.gz HRNBQSTYFRVTDE-HFTRVMKXSA-N 1 2 348.399 0.950 20 30 ECEDLO COC(=O)[C@]1(C)C[C@H](OC)C[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000602930132 439163128 /nfs/dbraw/zinc/16/31/28/439163128.db2.gz HRNBQSTYFRVTDE-HFTRVMKXSA-N 1 2 348.399 0.950 20 30 ECEDLO COCC[N@H+](C)Cc1cn(C[C@H](O)COc2ccc(C#N)cc2)nn1 ZINC000603256441 439220479 /nfs/dbraw/zinc/22/04/79/439220479.db2.gz GBFXQPCQNHKTAV-INIZCTEOSA-N 1 2 345.403 0.668 20 30 ECEDLO COCC[N@@H+](C)Cc1cn(C[C@H](O)COc2ccc(C#N)cc2)nn1 ZINC000603256441 439220485 /nfs/dbraw/zinc/22/04/85/439220485.db2.gz GBFXQPCQNHKTAV-INIZCTEOSA-N 1 2 345.403 0.668 20 30 ECEDLO CNC(=O)C[NH+]1CCN(c2ccc(C#N)cc2COCCOC)CC1 ZINC000603269590 439223554 /nfs/dbraw/zinc/22/35/54/439223554.db2.gz VOTYXOCTUNIBPH-UHFFFAOYSA-N 1 2 346.431 0.589 20 30 ECEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(CC(=O)NC2(C#N)CCC2)CC1 ZINC000525886336 439224187 /nfs/dbraw/zinc/22/41/87/439224187.db2.gz CJHDAYAOZDIACC-OAHLLOKOSA-N 1 2 347.463 0.177 20 30 ECEDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000592202876 439179389 /nfs/dbraw/zinc/17/93/89/439179389.db2.gz PWKXNAJIRMMDMF-LSDHHAIUSA-N 1 2 331.372 0.030 20 30 ECEDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000592202876 439179394 /nfs/dbraw/zinc/17/93/94/439179394.db2.gz PWKXNAJIRMMDMF-LSDHHAIUSA-N 1 2 331.372 0.030 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000592207618 439183789 /nfs/dbraw/zinc/18/37/89/439183789.db2.gz KSIFIPNBFPWPNJ-BNOWGMLFSA-N 1 2 331.372 0.741 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000592207618 439183792 /nfs/dbraw/zinc/18/37/92/439183792.db2.gz KSIFIPNBFPWPNJ-BNOWGMLFSA-N 1 2 331.372 0.741 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCC1)n1cc(C[NH+]2CCSCC2)nn1 ZINC000603238902 439215596 /nfs/dbraw/zinc/21/55/96/439215596.db2.gz AJFMKNDNIHHDMB-GFCCVEGCSA-N 1 2 334.449 0.950 20 30 ECEDLO COCCOCc1cc(C#N)ccc1NCCC[N@@H+]1CCNC(=O)C1 ZINC000603316770 439237740 /nfs/dbraw/zinc/23/77/40/439237740.db2.gz BBXVAZBSTPDHSL-UHFFFAOYSA-N 1 2 346.431 0.955 20 30 ECEDLO COCCOCc1cc(C#N)ccc1NCCC[N@H+]1CCNC(=O)C1 ZINC000603316770 439237742 /nfs/dbraw/zinc/23/77/42/439237742.db2.gz BBXVAZBSTPDHSL-UHFFFAOYSA-N 1 2 346.431 0.955 20 30 ECEDLO C#CCNS(=O)(=O)c1cccc(C(=O)NCCc2c[nH+]cn2C)c1 ZINC000490933572 439314054 /nfs/dbraw/zinc/31/40/54/439314054.db2.gz DTYYJBVNTVAAKB-UHFFFAOYSA-N 1 2 346.412 0.304 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F ZINC000598836418 439318292 /nfs/dbraw/zinc/31/82/92/439318292.db2.gz IQHNHRFPXIQHTI-LOWVWBTDSA-N 1 2 337.342 0.930 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cnc3cc(F)c(C)cc3c2=O)CC1 ZINC000490950888 439318525 /nfs/dbraw/zinc/31/85/25/439318525.db2.gz UUTLYHAFSYPELB-UHFFFAOYSA-N 1 2 342.374 0.621 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCO2)CC1 ZINC000491068826 439328250 /nfs/dbraw/zinc/32/82/50/439328250.db2.gz RRSRPHKVAQAGRU-HZPDHXFCSA-N 1 2 345.447 0.716 20 30 ECEDLO CCOCCN1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528371244 439331155 /nfs/dbraw/zinc/33/11/55/439331155.db2.gz GKYHIWXNJCOXDA-KRWDZBQOSA-N 1 2 333.432 0.952 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000491128208 439337660 /nfs/dbraw/zinc/33/76/60/439337660.db2.gz ZIOJDOKZLYVMCN-SFHVURJKSA-N 1 2 342.443 0.183 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN[C@@H](c2nc[nH]n2)c2ccccc2)CC1 ZINC000490713073 439289067 /nfs/dbraw/zinc/28/90/67/439289067.db2.gz HPVOYIDHXZBFOI-QGZVFWFLSA-N 1 2 338.415 0.261 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2nnc(-c3ccc(F)c(C)c3)n2)CC1 ZINC000490739598 439294478 /nfs/dbraw/zinc/29/44/78/439294478.db2.gz FHPLJFMZBUWZOX-UHFFFAOYSA-N 1 2 342.378 0.565 20 30 ECEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000568997052 439296011 /nfs/dbraw/zinc/29/60/11/439296011.db2.gz HYFDPORBMBQRBU-LBPRGKRZSA-N 1 2 336.417 0.505 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc3n[nH]cc3c2)CC1 ZINC000490763384 439296980 /nfs/dbraw/zinc/29/69/80/439296980.db2.gz QFSDAATVEAJUIK-UHFFFAOYSA-N 1 2 339.399 0.460 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc3n[nH]cc3c2)CC1 ZINC000490763384 439296984 /nfs/dbraw/zinc/29/69/84/439296984.db2.gz QFSDAATVEAJUIK-UHFFFAOYSA-N 1 2 339.399 0.460 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000490778331 439298069 /nfs/dbraw/zinc/29/80/69/439298069.db2.gz DNONBRWFACPNFF-UHFFFAOYSA-N 1 2 340.427 0.768 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000490799548 439299576 /nfs/dbraw/zinc/29/95/76/439299576.db2.gz HVVFBUHLKKRREO-UHFFFAOYSA-N 1 2 332.360 0.793 20 30 ECEDLO C#CC[N@@H+](C[C@H](O)COCc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000490852657 439302091 /nfs/dbraw/zinc/30/20/91/439302091.db2.gz MJPDOAQZKQUYNY-KBPBESRZSA-N 1 2 343.470 0.748 20 30 ECEDLO C#CC[N@H+](C[C@H](O)COCc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000490852657 439302096 /nfs/dbraw/zinc/30/20/96/439302096.db2.gz MJPDOAQZKQUYNY-KBPBESRZSA-N 1 2 343.470 0.748 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)N[C@]3(CCC(C)(C)C3)C2=O)CC1 ZINC000490830978 439302817 /nfs/dbraw/zinc/30/28/17/439302817.db2.gz OCTKQQWWESKPGW-SFHVURJKSA-N 1 2 346.431 0.265 20 30 ECEDLO C#CC[NH+]1CCN(Cn2nc(-c3cnccn3)n(C)c2=S)CC1 ZINC000490829831 439303445 /nfs/dbraw/zinc/30/34/45/439303445.db2.gz FFDPKWAXYRAJQN-UHFFFAOYSA-N 1 2 329.433 0.616 20 30 ECEDLO C#CC[N@@H+](C[C@H](O)COc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000490852707 439304963 /nfs/dbraw/zinc/30/49/63/439304963.db2.gz MLVDXVCWQCVTGM-KBPBESRZSA-N 1 2 341.404 0.688 20 30 ECEDLO C#CC[N@H+](C[C@H](O)COc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000490852707 439304965 /nfs/dbraw/zinc/30/49/65/439304965.db2.gz MLVDXVCWQCVTGM-KBPBESRZSA-N 1 2 341.404 0.688 20 30 ECEDLO C#CC[N@@H+](C[C@H](O)COc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000490852709 439305604 /nfs/dbraw/zinc/30/56/04/439305604.db2.gz MLVDXVCWQCVTGM-KGLIPLIRSA-N 1 2 341.404 0.688 20 30 ECEDLO C#CC[N@H+](C[C@H](O)COc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000490852709 439305609 /nfs/dbraw/zinc/30/56/09/439305609.db2.gz MLVDXVCWQCVTGM-KGLIPLIRSA-N 1 2 341.404 0.688 20 30 ECEDLO CNC(=O)NC[C@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CCO1 ZINC000528623651 439351255 /nfs/dbraw/zinc/35/12/55/439351255.db2.gz LDQBWDSGVSNQCD-AWEZNQCLSA-N 1 2 345.403 0.517 20 30 ECEDLO CNC(=O)NC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)CCO1 ZINC000528623651 439351256 /nfs/dbraw/zinc/35/12/56/439351256.db2.gz LDQBWDSGVSNQCD-AWEZNQCLSA-N 1 2 345.403 0.517 20 30 ECEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000528606341 439351717 /nfs/dbraw/zinc/35/17/17/439351717.db2.gz UZPDGYKRGLVXRH-WOPDTQHZSA-N 1 2 349.456 0.968 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(CC)n2)CC1 ZINC000491393180 439375943 /nfs/dbraw/zinc/37/59/43/439375943.db2.gz GUJKFSYCBXPJJM-UHFFFAOYSA-N 1 2 328.416 0.541 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(CC)n2)CC1 ZINC000491393180 439375949 /nfs/dbraw/zinc/37/59/49/439375949.db2.gz GUJKFSYCBXPJJM-UHFFFAOYSA-N 1 2 328.416 0.541 20 30 ECEDLO C#CCn1ccc(CN(CCOC)c2nc(C)[nH+]c(N(C)C)n2)n1 ZINC000491382058 439373840 /nfs/dbraw/zinc/37/38/40/439373840.db2.gz HIZWYWQPHXJOKG-UHFFFAOYSA-N 1 2 329.408 0.729 20 30 ECEDLO C#CCn1ccc(CN(CCOC)c2nc(N(C)C)nc(C)[nH+]2)n1 ZINC000491382058 439373845 /nfs/dbraw/zinc/37/38/45/439373845.db2.gz HIZWYWQPHXJOKG-UHFFFAOYSA-N 1 2 329.408 0.729 20 30 ECEDLO C#CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@H]1CCS(=O)(=O)C1 ZINC000491382631 439374575 /nfs/dbraw/zinc/37/45/75/439374575.db2.gz JFFWHUUATSNFAC-AWEZNQCLSA-N 1 2 331.397 0.905 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C)c(C)n2)CC1 ZINC000491384934 439374785 /nfs/dbraw/zinc/37/47/85/439374785.db2.gz QFHBLQPRLRWAMV-UHFFFAOYSA-N 1 2 328.416 0.596 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C)c(C)n2)CC1 ZINC000491384934 439374787 /nfs/dbraw/zinc/37/47/87/439374787.db2.gz QFHBLQPRLRWAMV-UHFFFAOYSA-N 1 2 328.416 0.596 20 30 ECEDLO CC(C)Nc1nc(N2Cc3cccc(C#N)c3C2)nc(NCCO)[nH+]1 ZINC000593520448 439392328 /nfs/dbraw/zinc/39/23/28/439392328.db2.gz OPXYBHFRWLQMNC-UHFFFAOYSA-N 1 2 339.403 0.332 20 30 ECEDLO CC(C)Nc1nc(NCCO)[nH+]c(N2Cc3cccc(C#N)c3C2)n1 ZINC000593520448 439392331 /nfs/dbraw/zinc/39/23/31/439392331.db2.gz OPXYBHFRWLQMNC-UHFFFAOYSA-N 1 2 339.403 0.332 20 30 ECEDLO CC(C)Nc1nc(NCCO)nc(N2Cc3cccc(C#N)c3C2)[nH+]1 ZINC000593520448 439392335 /nfs/dbraw/zinc/39/23/35/439392335.db2.gz OPXYBHFRWLQMNC-UHFFFAOYSA-N 1 2 339.403 0.332 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cc(S(=O)(=O)NC)cs1 ZINC000491523661 439400173 /nfs/dbraw/zinc/40/01/73/439400173.db2.gz GHLBNVYISPQOKY-LLVKDONJSA-N 1 2 342.442 0.911 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cc(S(=O)(=O)NC)cs1 ZINC000491523661 439400178 /nfs/dbraw/zinc/40/01/78/439400178.db2.gz GHLBNVYISPQOKY-LLVKDONJSA-N 1 2 342.442 0.911 20 30 ECEDLO CC[C@H](C#N)C(=O)N[C@@H](C(=O)NCC[NH+]1CCOCC1)[C@@H](C)CC ZINC000593461547 439385742 /nfs/dbraw/zinc/38/57/42/439385742.db2.gz QVSAWSVQPIOOSD-RRFJBIMHSA-N 1 2 338.452 0.515 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cnc3sc(CC)cc3c2=O)CC1 ZINC000491623129 439412080 /nfs/dbraw/zinc/41/20/80/439412080.db2.gz HXPDCRQTKHONSF-UHFFFAOYSA-N 1 2 344.440 0.798 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)NC(C(C)C)(C(C)C)C2=O)CC1 ZINC000491622233 439412553 /nfs/dbraw/zinc/41/25/53/439412553.db2.gz FDTCRAOWDPNALY-UHFFFAOYSA-N 1 2 348.447 0.366 20 30 ECEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000491626786 439413703 /nfs/dbraw/zinc/41/37/03/439413703.db2.gz LZBDQCBBQGSDMF-NEPJUHHUSA-N 1 2 335.429 0.565 20 30 ECEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000491626786 439413710 /nfs/dbraw/zinc/41/37/10/439413710.db2.gz LZBDQCBBQGSDMF-NEPJUHHUSA-N 1 2 335.429 0.565 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN[C@H](c2cnn(C)c2)C(F)(F)F)CC1 ZINC000491678356 439426134 /nfs/dbraw/zinc/42/61/34/439426134.db2.gz AWTHCWDAEUPJBI-CQSZACIVSA-N 1 2 343.353 0.391 20 30 ECEDLO COC(=O)[C@@H](COC(C)C)[N@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599322026 439432700 /nfs/dbraw/zinc/43/27/00/439432700.db2.gz WYJHYGUXFCRWQL-HUUCEWRRSA-N 1 2 342.436 0.956 20 30 ECEDLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599322026 439432703 /nfs/dbraw/zinc/43/27/03/439432703.db2.gz WYJHYGUXFCRWQL-HUUCEWRRSA-N 1 2 342.436 0.956 20 30 ECEDLO C#CCNC(=O)CC[NH2+]Cc1nn(C)cc1I ZINC000491809524 439455767 /nfs/dbraw/zinc/45/57/67/439455767.db2.gz XOMTWDCWCSWGGW-UHFFFAOYSA-N 1 2 346.172 0.254 20 30 ECEDLO C#CCn1ccc(C[N@H+](CCOC)CCN2C(=O)NC(C)(C)C2=O)n1 ZINC000491750302 439442516 /nfs/dbraw/zinc/44/25/16/439442516.db2.gz WFCYAJNLPXVOGD-UHFFFAOYSA-N 1 2 347.419 0.295 20 30 ECEDLO C#CCn1ccc(C[N@@H+](CCOC)CCN2C(=O)NC(C)(C)C2=O)n1 ZINC000491750302 439442519 /nfs/dbraw/zinc/44/25/19/439442519.db2.gz WFCYAJNLPXVOGD-UHFFFAOYSA-N 1 2 347.419 0.295 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000491774245 439446042 /nfs/dbraw/zinc/44/60/42/439446042.db2.gz TVGJGGONWGFSJY-UHFFFAOYSA-N 1 2 346.387 0.865 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNS(=O)(=O)CCCCC#N ZINC000599387467 439451962 /nfs/dbraw/zinc/45/19/62/439451962.db2.gz MPZQPMUONIIOKU-HNNXBMFYSA-N 1 2 345.465 0.215 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNS(=O)(=O)CCCCC#N ZINC000599387467 439451967 /nfs/dbraw/zinc/45/19/67/439451967.db2.gz MPZQPMUONIIOKU-HNNXBMFYSA-N 1 2 345.465 0.215 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)CC1 ZINC000491810010 439455038 /nfs/dbraw/zinc/45/50/38/439455038.db2.gz YJKYRHBBUSCHPT-AEFFLSMTSA-N 1 2 335.448 0.034 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)CC1 ZINC000491810010 439455042 /nfs/dbraw/zinc/45/50/42/439455042.db2.gz YJKYRHBBUSCHPT-AEFFLSMTSA-N 1 2 335.448 0.034 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\c2cncs2)CC1 ZINC000491569875 439407859 /nfs/dbraw/zinc/40/78/59/439407859.db2.gz YPHNLQYTSZRQPY-PLNGDYQASA-N 1 2 332.429 0.440 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\c2cncs2)CC1 ZINC000491569875 439407863 /nfs/dbraw/zinc/40/78/63/439407863.db2.gz YPHNLQYTSZRQPY-PLNGDYQASA-N 1 2 332.429 0.440 20 30 ECEDLO Cc1cc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)ncn1 ZINC000583510989 439474628 /nfs/dbraw/zinc/47/46/28/439474628.db2.gz LPKIIOVRTAGDKW-UHFFFAOYSA-N 1 2 325.372 0.699 20 30 ECEDLO COC[C@]1(C(=O)OC)CCC[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000599475008 439483943 /nfs/dbraw/zinc/48/39/43/439483943.db2.gz XORVNISEGAWFEL-QAPCUYQASA-N 1 2 348.399 0.952 20 30 ECEDLO COC[C@]1(C(=O)OC)CCC[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000599475008 439483951 /nfs/dbraw/zinc/48/39/51/439483951.db2.gz XORVNISEGAWFEL-QAPCUYQASA-N 1 2 348.399 0.952 20 30 ECEDLO COCCOCC[NH+]1CCN(C(=O)COc2ccccc2C#N)CC1 ZINC000593887205 439488615 /nfs/dbraw/zinc/48/86/15/439488615.db2.gz PRZYSWGCBQWZHU-UHFFFAOYSA-N 1 2 347.415 0.744 20 30 ECEDLO COC(=O)[C@]1(OC)CC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000599568305 439507698 /nfs/dbraw/zinc/50/76/98/439507698.db2.gz ZYUWPQGCWDKTSN-LRDDRELGSA-N 1 2 349.412 0.989 20 30 ECEDLO COC(=O)[C@]1(OC)CC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000599568305 439507704 /nfs/dbraw/zinc/50/77/04/439507704.db2.gz ZYUWPQGCWDKTSN-LRDDRELGSA-N 1 2 349.412 0.989 20 30 ECEDLO C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000571807375 439532074 /nfs/dbraw/zinc/53/20/74/439532074.db2.gz YYMCLAPOBLWOHA-CYBMUJFWSA-N 1 2 348.403 0.218 20 30 ECEDLO Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)C2=O ZINC000584056276 439545575 /nfs/dbraw/zinc/54/55/75/439545575.db2.gz LJERCHONHQRBDE-KRWDZBQOSA-N 1 2 328.372 0.551 20 30 ECEDLO CC(=O)NC1CC[NH+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC000609121609 439550400 /nfs/dbraw/zinc/55/04/00/439550400.db2.gz JJJQVSMFRXKSMI-INIZCTEOSA-N 1 2 340.383 0.791 20 30 ECEDLO N#Cc1ccc(N2CCC[C@@H]2C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000609099787 439550717 /nfs/dbraw/zinc/55/07/17/439550717.db2.gz PQMVBMIBIGYKQS-QGZVFWFLSA-N 1 2 328.416 0.975 20 30 ECEDLO N#CCN1CCC(Nc2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000609333699 439565230 /nfs/dbraw/zinc/56/52/30/439565230.db2.gz DCYVQOVIFVGVGX-UHFFFAOYSA-N 1 2 326.404 0.278 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)C1=O ZINC000532042723 439512925 /nfs/dbraw/zinc/51/29/25/439512925.db2.gz WRJACCHDJIZBBL-HNNXBMFYSA-N 1 2 328.420 0.509 20 30 ECEDLO COC(=O)[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)C[C@@H](C)O1 ZINC000599604145 439515232 /nfs/dbraw/zinc/51/52/32/439515232.db2.gz FRMVCKPLNCXCIM-INWMFGNUSA-N 1 2 334.372 0.560 20 30 ECEDLO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)C[C@@H](C)O1 ZINC000599604145 439515236 /nfs/dbraw/zinc/51/52/36/439515236.db2.gz FRMVCKPLNCXCIM-INWMFGNUSA-N 1 2 334.372 0.560 20 30 ECEDLO CC(=O)NC[C@@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000609806974 439588580 /nfs/dbraw/zinc/58/85/80/439588580.db2.gz PWCUMQMKQXRIJW-FUHWJXTLSA-N 1 2 347.415 0.329 20 30 ECEDLO CC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000609806974 439588583 /nfs/dbraw/zinc/58/85/83/439588583.db2.gz PWCUMQMKQXRIJW-FUHWJXTLSA-N 1 2 347.415 0.329 20 30 ECEDLO CN(CCCc1[nH]nc(N)c1C#N)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000573400804 439644730 /nfs/dbraw/zinc/64/47/30/439644730.db2.gz LVODTQDLEXRMFF-UHFFFAOYSA-N 1 2 326.368 0.191 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc(=O)[nH]c(C2CC2)n1 ZINC000573456234 439646876 /nfs/dbraw/zinc/64/68/76/439646876.db2.gz HRKOHXYZJAATOR-UHFFFAOYSA-N 1 2 345.403 0.748 20 30 ECEDLO Cn1ncc2c1ncnc2N1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000610991270 439665234 /nfs/dbraw/zinc/66/52/34/439665234.db2.gz HHODTHRPTLWCHO-UHFFFAOYSA-N 1 2 334.387 0.952 20 30 ECEDLO CN1CC(=O)N(CC[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)C1=O ZINC000595377697 439716959 /nfs/dbraw/zinc/71/69/59/439716959.db2.gz QQIXTIQEJXZGHU-MRXNPFEDSA-N 1 2 341.415 0.763 20 30 ECEDLO COC(=O)CCN1CC[C@@H]([NH+]2CCN([C@H](C#N)C(C)C)CC2)C1=O ZINC000595399988 439720902 /nfs/dbraw/zinc/72/09/02/439720902.db2.gz ZULGYKJUNYBQKG-HUUCEWRRSA-N 1 2 336.436 0.316 20 30 ECEDLO N#CCCN1CC[NH+](CC(=O)NCCOc2cccc(F)c2)CC1 ZINC000611175877 439678330 /nfs/dbraw/zinc/67/83/30/439678330.db2.gz ZSLMGQDNOMRHEI-UHFFFAOYSA-N 1 2 334.395 0.852 20 30 ECEDLO COCc1ccccc1CNC(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611174824 439678386 /nfs/dbraw/zinc/67/83/86/439678386.db2.gz QZYYBVBXSUNXJN-UHFFFAOYSA-N 1 2 330.432 0.980 20 30 ECEDLO N#CCn1c(C(=O)NCCC[N@@H+]2CCNC(=O)C2)cc2ccccc21 ZINC000611215759 439681857 /nfs/dbraw/zinc/68/18/57/439681857.db2.gz ZXYVZGAKMOXXLM-UHFFFAOYSA-N 1 2 339.399 0.717 20 30 ECEDLO N#CCn1c(C(=O)NCCC[N@H+]2CCNC(=O)C2)cc2ccccc21 ZINC000611215759 439681861 /nfs/dbraw/zinc/68/18/61/439681861.db2.gz ZXYVZGAKMOXXLM-UHFFFAOYSA-N 1 2 339.399 0.717 20 30 ECEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCSC[C@H]2C(N)=O)cc1 ZINC000611350059 439693606 /nfs/dbraw/zinc/69/36/06/439693606.db2.gz XXVORPBGQYIBQE-HIFRSBDPSA-N 1 2 335.429 0.395 20 30 ECEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCSC[C@H]2C(N)=O)cc1 ZINC000611350059 439693609 /nfs/dbraw/zinc/69/36/09/439693609.db2.gz XXVORPBGQYIBQE-HIFRSBDPSA-N 1 2 335.429 0.395 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000613498899 439757883 /nfs/dbraw/zinc/75/78/83/439757883.db2.gz GUYSAAKACGBUDL-OAHLLOKOSA-N 1 2 331.420 0.905 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000611828891 439732422 /nfs/dbraw/zinc/73/24/22/439732422.db2.gz PHAYBUWMWRJESU-INIZCTEOSA-N 1 2 334.464 0.934 20 30 ECEDLO COC(=O)CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000595502675 439735279 /nfs/dbraw/zinc/73/52/79/439735279.db2.gz VOBNTWWKUSWLSJ-ZIAGYGMSSA-N 1 2 347.371 0.901 20 30 ECEDLO COC(=O)CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000595502675 439735281 /nfs/dbraw/zinc/73/52/81/439735281.db2.gz VOBNTWWKUSWLSJ-ZIAGYGMSSA-N 1 2 347.371 0.901 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000614661834 439784012 /nfs/dbraw/zinc/78/40/12/439784012.db2.gz VCHWFYHYIYTQBM-GDBMZVCRSA-N 1 2 348.447 0.628 20 30 ECEDLO N#C[C@@]1(F)CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000615538564 439802166 /nfs/dbraw/zinc/80/21/66/439802166.db2.gz PRKUOLHATQGREJ-GJZGRUSLSA-N 1 2 342.440 0.841 20 30 ECEDLO CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000615776571 439806181 /nfs/dbraw/zinc/80/61/81/439806181.db2.gz GXFONSNQGXFIBC-NSHDSACASA-N 1 2 327.392 0.714 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)nn1 ZINC000648781319 440326691 /nfs/dbraw/zinc/32/66/91/440326691.db2.gz BMAGMLDCJRIMCM-UHFFFAOYSA-N 1 2 348.451 0.480 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[N@H+](CC(=O)N(CC)CC)CC2)nn1 ZINC000648781319 440326697 /nfs/dbraw/zinc/32/66/97/440326697.db2.gz BMAGMLDCJRIMCM-UHFFFAOYSA-N 1 2 348.451 0.480 20 30 ECEDLO C=CC[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000628486695 440469504 /nfs/dbraw/zinc/46/95/04/440469504.db2.gz NZYLQIQEAQWJSW-CVEARBPZSA-N 1 2 335.448 0.592 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656080863 440714629 /nfs/dbraw/zinc/71/46/29/440714629.db2.gz JCJOQXKMTZUEKV-SOUVJXGZSA-N 1 2 341.452 0.261 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656080863 440714631 /nfs/dbraw/zinc/71/46/31/440714631.db2.gz JCJOQXKMTZUEKV-SOUVJXGZSA-N 1 2 341.452 0.261 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000645072972 440743868 /nfs/dbraw/zinc/74/38/68/440743868.db2.gz QOIDWOGPJMJGBA-ZNMIVQPWSA-N 1 2 332.404 0.754 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000645072971 440744616 /nfs/dbraw/zinc/74/46/16/440744616.db2.gz QOIDWOGPJMJGBA-KKUMJFAQSA-N 1 2 332.404 0.754 20 30 ECEDLO CC#CC[C@@H](CO)NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000645883919 440939376 /nfs/dbraw/zinc/93/93/76/440939376.db2.gz OGRXAGJPMPCRLW-HNNXBMFYSA-N 1 2 333.413 0.984 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2F)CC[N@@H+]1CCO ZINC000548294854 322153529 /nfs/dbraw/zinc/15/35/29/322153529.db2.gz MJGYZCBHWSQFIK-LLVKDONJSA-N 1 2 327.381 0.384 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2F)CC[N@H+]1CCO ZINC000548294854 322153530 /nfs/dbraw/zinc/15/35/30/322153530.db2.gz MJGYZCBHWSQFIK-LLVKDONJSA-N 1 2 327.381 0.384 20 30 ECEDLO COc1cc(C#N)ccc1NC(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000564493696 322377178 /nfs/dbraw/zinc/37/71/78/322377178.db2.gz ATISDYJBHNEJBC-UHFFFAOYSA-N 1 2 325.328 0.744 20 30 ECEDLO N#Cc1ncccc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000566561230 322542549 /nfs/dbraw/zinc/54/25/49/322542549.db2.gz NNXSGMGVQFMKRH-AWEZNQCLSA-N 1 2 329.385 0.683 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C(=O)N(C)C)C1 ZINC001078022064 782156355 /nfs/dbraw/zinc/15/63/55/782156355.db2.gz RETCRYRSVUPHEI-HZPDHXFCSA-N 1 2 329.400 0.187 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C(=O)N(C)C)C1 ZINC001078022064 782156361 /nfs/dbraw/zinc/15/63/61/782156361.db2.gz RETCRYRSVUPHEI-HZPDHXFCSA-N 1 2 329.400 0.187 20 30 ECEDLO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1cnc([C@H]2CCCO2)s1 ZINC000328899374 546008519 /nfs/dbraw/zinc/00/85/19/546008519.db2.gz XHKFMVHFDAQEKJ-NWDGAFQWSA-N 1 2 341.433 0.992 20 30 ECEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000329082305 546013136 /nfs/dbraw/zinc/01/31/36/546013136.db2.gz DOLLGRUCBPZEQK-GFCCVEGCSA-N 1 2 338.408 0.733 20 30 ECEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000329082305 546013142 /nfs/dbraw/zinc/01/31/42/546013142.db2.gz DOLLGRUCBPZEQK-GFCCVEGCSA-N 1 2 338.408 0.733 20 30 ECEDLO CN(C)C(=O)c1cc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)ccn1 ZINC000329668189 546030722 /nfs/dbraw/zinc/03/07/22/546030722.db2.gz QWCNYKLCQGZPAM-AWEZNQCLSA-N 1 2 347.419 0.735 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1C ZINC000329694672 546031985 /nfs/dbraw/zinc/03/19/85/546031985.db2.gz CUDTYUKXCPIBBF-IHRRRGAJSA-N 1 2 347.481 0.112 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1C ZINC000329694672 546031989 /nfs/dbraw/zinc/03/19/89/546031989.db2.gz CUDTYUKXCPIBBF-IHRRRGAJSA-N 1 2 347.481 0.112 20 30 ECEDLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2cccc(CC#N)c2)CC1 ZINC000619487755 546332747 /nfs/dbraw/zinc/33/27/47/546332747.db2.gz OXXVZSSXOCGKMH-HNNXBMFYSA-N 1 2 337.445 0.830 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000619943000 546389264 /nfs/dbraw/zinc/38/92/64/546389264.db2.gz WIIGATGLKSDJDU-RBUKOAKNSA-N 1 2 348.443 0.693 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000619943000 546389269 /nfs/dbraw/zinc/38/92/69/546389269.db2.gz WIIGATGLKSDJDU-RBUKOAKNSA-N 1 2 348.443 0.693 20 30 ECEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000620312963 546423490 /nfs/dbraw/zinc/42/34/90/546423490.db2.gz RYDXITLWDZTHOP-YESZJQIVSA-N 1 2 347.459 0.877 20 30 ECEDLO Nc1ncc2c(n1)C[N@@H+](CC#CCN1C(=O)c3ccccc3C1=O)CC2 ZINC000623291596 546769859 /nfs/dbraw/zinc/76/98/59/546769859.db2.gz OOTPQVAZMJKSFF-UHFFFAOYSA-N 1 2 347.378 0.717 20 30 ECEDLO Nc1ncc2c(n1)C[N@H+](CC#CCN1C(=O)c3ccccc3C1=O)CC2 ZINC000623291596 546769862 /nfs/dbraw/zinc/76/98/62/546769862.db2.gz OOTPQVAZMJKSFF-UHFFFAOYSA-N 1 2 347.378 0.717 20 30 ECEDLO C=CCCN(C)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000625557913 547147258 /nfs/dbraw/zinc/14/72/58/547147258.db2.gz QVEQKCDCROLCJE-MRXNPFEDSA-N 1 2 346.431 0.433 20 30 ECEDLO C=CCCN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000625557913 547147265 /nfs/dbraw/zinc/14/72/65/547147265.db2.gz QVEQKCDCROLCJE-MRXNPFEDSA-N 1 2 346.431 0.433 20 30 ECEDLO COC[C@]1(C)CN(CC#CC[N@@H+]2CCO[C@](C)(COC)C2)CCO1 ZINC000626176149 547311349 /nfs/dbraw/zinc/31/13/49/547311349.db2.gz GSLBRNGLWRKTHV-ROUUACIJSA-N 1 2 340.464 0.464 20 30 ECEDLO COC[C@]1(C)CN(CC#CC[N@H+]2CCO[C@](C)(COC)C2)CCO1 ZINC000626176149 547311353 /nfs/dbraw/zinc/31/13/53/547311353.db2.gz GSLBRNGLWRKTHV-ROUUACIJSA-N 1 2 340.464 0.464 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000668338024 547623878 /nfs/dbraw/zinc/62/38/78/547623878.db2.gz RJRZCVRNIZEGIB-INIZCTEOSA-N 1 2 347.463 0.925 20 30 ECEDLO C=CCOCCCNC(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000668615806 547702223 /nfs/dbraw/zinc/70/22/23/547702223.db2.gz YZXIXYMRDIKGEX-UHFFFAOYSA-N 1 2 330.388 0.968 20 30 ECEDLO CN1CC[NH+](C(C)(C)C(=O)NCc2ccc(C(=O)NO)cc2)CC1 ZINC000671997207 548251713 /nfs/dbraw/zinc/25/17/13/548251713.db2.gz PMKCQZDMGTUESN-UHFFFAOYSA-N 1 2 334.420 0.448 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CCN1CCCS1(=O)=O ZINC000674495711 548636407 /nfs/dbraw/zinc/63/64/07/548636407.db2.gz JSRVNFGJEQKUTO-AWEZNQCLSA-N 1 2 331.482 0.767 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CCN1CCCS1(=O)=O ZINC000674495711 548636414 /nfs/dbraw/zinc/63/64/14/548636414.db2.gz JSRVNFGJEQKUTO-AWEZNQCLSA-N 1 2 331.482 0.767 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3c(C)noc3C)C[C@H]2O)cn1 ZINC001078032658 782181047 /nfs/dbraw/zinc/18/10/47/782181047.db2.gz ZFPJZJQBTHVHAD-IAGOWNOFSA-N 1 2 340.383 0.643 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3c(C)noc3C)C[C@H]2O)cn1 ZINC001078032658 782181055 /nfs/dbraw/zinc/18/10/55/782181055.db2.gz ZFPJZJQBTHVHAD-IAGOWNOFSA-N 1 2 340.383 0.643 20 30 ECEDLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000748454780 579324756 /nfs/dbraw/zinc/32/47/56/579324756.db2.gz AJFCARGCHSECSR-KBPBESRZSA-N 1 2 337.420 0.981 20 30 ECEDLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000748454780 579324757 /nfs/dbraw/zinc/32/47/57/579324757.db2.gz AJFCARGCHSECSR-KBPBESRZSA-N 1 2 337.420 0.981 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(F)c(S(N)(=O)=O)c2)CC1 ZINC000749651890 579340445 /nfs/dbraw/zinc/34/04/45/579340445.db2.gz AEZPEMGSHFUXIX-UHFFFAOYSA-N 1 2 339.392 0.254 20 30 ECEDLO C#CCNC(=O)C[NH2+][C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000750057470 579346781 /nfs/dbraw/zinc/34/67/81/579346781.db2.gz NQWYGLJEBWWTBA-AWEZNQCLSA-N 1 2 327.306 0.745 20 30 ECEDLO CC(C)(C)NC(=O)CNC(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000753822037 579406881 /nfs/dbraw/zinc/40/68/81/579406881.db2.gz HINDGBCGIFZSCQ-UHFFFAOYSA-N 1 2 348.403 0.289 20 30 ECEDLO C[C@@H](Nc1cccc(S(N)(=O)=O)c1C#N)[C@@H](C)[NH+]1CCOCC1 ZINC000754993815 579427460 /nfs/dbraw/zinc/42/74/60/579427460.db2.gz QJNZKRRFTBBUGB-VXGBXAGGSA-N 1 2 338.433 0.727 20 30 ECEDLO C[N@H+](CN1CC(=O)N(Cc2ccccc2C#N)C1=O)[C@@H]1CCNC1=O ZINC000758403344 579472633 /nfs/dbraw/zinc/47/26/33/579472633.db2.gz XQUMAVUKGLSKNF-CQSZACIVSA-N 1 2 341.371 0.100 20 30 ECEDLO C[N@@H+](CN1CC(=O)N(Cc2ccccc2C#N)C1=O)[C@@H]1CCNC1=O ZINC000758403344 579472634 /nfs/dbraw/zinc/47/26/34/579472634.db2.gz XQUMAVUKGLSKNF-CQSZACIVSA-N 1 2 341.371 0.100 20 30 ECEDLO CC(C)S(=O)(=O)NN=C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000731558003 578312977 /nfs/dbraw/zinc/31/29/77/578312977.db2.gz HDZQTEQERXMUIP-UHFFFAOYSA-N 1 2 332.470 0.098 20 30 ECEDLO C[C@@H](ON=C(N)c1ccc(C[NH+]2CCOCC2)cc1)C(=O)NC1CC1 ZINC000733307117 578335827 /nfs/dbraw/zinc/33/58/27/578335827.db2.gz WBTCGXSNCSMQFG-CYBMUJFWSA-N 1 2 346.431 0.823 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)NCC(=O)OCCCn2cc[nH+]c2)c1 ZINC000795335609 578608373 /nfs/dbraw/zinc/60/83/73/578608373.db2.gz YVQVABBFYUALTR-UHFFFAOYSA-N 1 2 348.384 0.667 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(NC(=O)NCC(N)=O)c1 ZINC000798058360 578638126 /nfs/dbraw/zinc/63/81/26/578638126.db2.gz JPIXDPYUZHKTKP-AWEZNQCLSA-N 1 2 343.387 0.330 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(NC(=O)NCC(N)=O)c1 ZINC000798058360 578638127 /nfs/dbraw/zinc/63/81/27/578638127.db2.gz JPIXDPYUZHKTKP-AWEZNQCLSA-N 1 2 343.387 0.330 20 30 ECEDLO Cn1ncc(Cl)c1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000780196058 578689826 /nfs/dbraw/zinc/68/98/26/578689826.db2.gz ZPVPVCGTASCBPT-UHFFFAOYSA-N 1 2 330.845 0.204 20 30 ECEDLO CCC1(C=NNC(=S)NCC[NH+]2CCOCC2)CCOCC1 ZINC000781116327 578705426 /nfs/dbraw/zinc/70/54/26/578705426.db2.gz BWYIDTCGMOGCOY-UHFFFAOYSA-N 1 2 328.482 0.975 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@](OC)(C(F)(F)F)C2)CC1 ZINC000781986281 578718133 /nfs/dbraw/zinc/71/81/33/578718133.db2.gz UFUWCDQVDYMQIM-HNNXBMFYSA-N 1 2 347.381 0.807 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@](OC)(C(F)(F)F)C2)CC1 ZINC000781986281 578718134 /nfs/dbraw/zinc/71/81/34/578718134.db2.gz UFUWCDQVDYMQIM-HNNXBMFYSA-N 1 2 347.381 0.807 20 30 ECEDLO COC(C[N@H+](CCCO)CC(=O)N(C)C1(C#N)CCCCC1)OC ZINC000782175965 578721271 /nfs/dbraw/zinc/72/12/71/578721271.db2.gz KHQKAKMKMOXWCE-UHFFFAOYSA-N 1 2 341.452 0.975 20 30 ECEDLO COC(C[N@@H+](CCCO)CC(=O)N(C)C1(C#N)CCCCC1)OC ZINC000782175965 578721272 /nfs/dbraw/zinc/72/12/72/578721272.db2.gz KHQKAKMKMOXWCE-UHFFFAOYSA-N 1 2 341.452 0.975 20 30 ECEDLO C[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000788276465 578831936 /nfs/dbraw/zinc/83/19/36/578831936.db2.gz ZMQZWNLDXQQPTG-MDZLAQPJSA-N 1 2 326.356 0.967 20 30 ECEDLO C[C@@H]1C[C@H](O)C[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000788276465 578831937 /nfs/dbraw/zinc/83/19/37/578831937.db2.gz ZMQZWNLDXQQPTG-MDZLAQPJSA-N 1 2 326.356 0.967 20 30 ECEDLO N#Cc1cccc(NC(=O)C(=O)Nc2nc(Cl)cc(NN)[nH+]2)c1 ZINC000789600010 578857571 /nfs/dbraw/zinc/85/75/71/578857571.db2.gz LTOAFRZDOYACOR-UHFFFAOYSA-N 1 2 331.723 0.864 20 30 ECEDLO C[NH+]1CCN(c2ncc(CN=Nc3nc4ccccn4n3)cn2)CC1 ZINC000790195365 578869606 /nfs/dbraw/zinc/86/96/06/578869606.db2.gz FDNWTVSQKUVRBK-UHFFFAOYSA-N 1 2 337.391 0.717 20 30 ECEDLO C[S@](=O)CC[NH+]1CCN(C(=O)Cc2ccccc2CC#N)CC1 ZINC000777405066 579297798 /nfs/dbraw/zinc/29/77/98/579297798.db2.gz OFIRPUACDNQNJN-QHCPKHFHSA-N 1 2 333.457 0.818 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNC(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000760430336 579510371 /nfs/dbraw/zinc/51/03/71/579510371.db2.gz KIAPDLXOPBDNIB-UHFFFAOYSA-N 1 2 345.399 0.211 20 30 ECEDLO C#CCNS(=O)(=O)N1CCN(Cc2c(C)[nH+]c3ccccn32)CC1 ZINC000761022687 579519525 /nfs/dbraw/zinc/51/95/25/579519525.db2.gz CNCHTOPOENHBGM-UHFFFAOYSA-N 1 2 347.444 0.228 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2c(C)nc3ccccn32)CC1 ZINC000761022687 579519527 /nfs/dbraw/zinc/51/95/27/579519527.db2.gz CNCHTOPOENHBGM-UHFFFAOYSA-N 1 2 347.444 0.228 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](CCOc2ccccc2F)CC1 ZINC000761029940 579519718 /nfs/dbraw/zinc/51/97/18/579519718.db2.gz VAAYXZJGQCINCM-UHFFFAOYSA-N 1 2 341.408 0.290 20 30 ECEDLO N#Cc1ccc(OCCNC(=S)NCC[NH+]2CCOCC2)cc1 ZINC000741859659 579778245 /nfs/dbraw/zinc/77/82/45/579778245.db2.gz CQXWMLGQHYXTCP-UHFFFAOYSA-N 1 2 334.445 0.733 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)CSCC(=O)N2CCCCC2)CC1 ZINC000744366543 579808860 /nfs/dbraw/zinc/80/88/60/579808860.db2.gz SXWQJWJDCKUBEV-UHFFFAOYSA-N 1 2 337.489 0.900 20 30 ECEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000746473385 579840310 /nfs/dbraw/zinc/84/03/10/579840310.db2.gz IILOMYPTUSTMSB-SHACYNPGSA-N 1 2 348.472 0.881 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC[N@@H+]1CCO ZINC000867132818 588913873 /nfs/dbraw/zinc/91/38/73/588913873.db2.gz MUQZVSHRDWNHLM-NSHDSACASA-N 1 2 327.381 0.384 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC[N@H+]1CCO ZINC000867132818 588913874 /nfs/dbraw/zinc/91/38/74/588913874.db2.gz MUQZVSHRDWNHLM-NSHDSACASA-N 1 2 327.381 0.384 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2c(Cl)c(C)nn2C)CC1 ZINC000891537353 586174768 /nfs/dbraw/zinc/17/47/68/586174768.db2.gz RTBBJXUJOHVASM-UHFFFAOYSA-N 1 2 325.844 0.802 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000895915905 586212727 /nfs/dbraw/zinc/21/27/27/586212727.db2.gz OPVUWFSOWAGOCY-UHFFFAOYSA-N 1 2 347.440 0.548 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2sc(C)nc2C)CC1 ZINC000896180809 586225280 /nfs/dbraw/zinc/22/52/80/586225280.db2.gz GTONTBQSXFQCQJ-UHFFFAOYSA-N 1 2 348.472 0.586 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2sc(C)nc2C)CC1 ZINC000896180809 586225282 /nfs/dbraw/zinc/22/52/82/586225282.db2.gz GTONTBQSXFQCQJ-UHFFFAOYSA-N 1 2 348.472 0.586 20 30 ECEDLO C#CC1(O)CN(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)C1 ZINC000896207769 586226787 /nfs/dbraw/zinc/22/67/87/586226787.db2.gz XAEBRSCMKBNBAZ-UHFFFAOYSA-N 1 2 337.420 0.182 20 30 ECEDLO C#CCn1ccc(CN(CCOC)c2nc(N)[nH+]c(C3CC3)n2)n1 ZINC000893563288 586338895 /nfs/dbraw/zinc/33/88/95/586338895.db2.gz NLIOITDEXCEIDF-UHFFFAOYSA-N 1 2 327.392 0.814 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCO[C@@H]3C)n2CCOC)CC1 ZINC000842993264 589045926 /nfs/dbraw/zinc/04/59/26/589045926.db2.gz FYTBLQZYRKZEPO-CABCVRRESA-N 1 2 333.436 0.572 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](c2[nH]ncc2C(=O)OCC)C1 ZINC000898760944 586447341 /nfs/dbraw/zinc/44/73/41/586447341.db2.gz FCPYTDRJZLKYPW-ZFWWWQNUSA-N 1 2 344.415 1.000 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](c2[nH]ncc2C(=O)OCC)C1 ZINC000898760944 586447342 /nfs/dbraw/zinc/44/73/42/586447342.db2.gz FCPYTDRJZLKYPW-ZFWWWQNUSA-N 1 2 344.415 1.000 20 30 ECEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899055308 586465106 /nfs/dbraw/zinc/46/51/06/586465106.db2.gz KZHMRLXMJQOBNF-CQSZACIVSA-N 1 2 345.399 0.891 20 30 ECEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899055308 586465107 /nfs/dbraw/zinc/46/51/07/586465107.db2.gz KZHMRLXMJQOBNF-CQSZACIVSA-N 1 2 345.399 0.891 20 30 ECEDLO N#CCc1ccc(OC[C@@H](O)C[NH+]2CC3(C2)CCNC(=O)O3)cc1 ZINC000899907741 586512160 /nfs/dbraw/zinc/51/21/60/586512160.db2.gz HPLIAUSFCMLSRY-AWEZNQCLSA-N 1 2 331.372 0.677 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CNc1cccc[nH+]1 ZINC000901022963 586683484 /nfs/dbraw/zinc/68/34/84/586683484.db2.gz WLMZYFHAABERCJ-ZDUSSCGKSA-N 1 2 337.387 0.892 20 30 ECEDLO N#Cc1cc(CN2CCOCC2)cn(Cc2ccc(N)[nH+]c2)c1=O ZINC000902421907 586736592 /nfs/dbraw/zinc/73/65/92/586736592.db2.gz XUWVJAYZKUSIKJ-UHFFFAOYSA-N 1 2 325.372 0.578 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000907580103 586740002 /nfs/dbraw/zinc/74/00/02/586740002.db2.gz BTQZPHPDUIQQLG-AEFFLSMTSA-N 1 2 342.399 0.969 20 30 ECEDLO C=CCN(CC=C)C(=O)C[NH+]1CCC(NS(=O)(=O)CC)CC1 ZINC000903005185 586765309 /nfs/dbraw/zinc/76/53/09/586765309.db2.gz UPPOGUUITZDRSV-UHFFFAOYSA-N 1 2 329.466 0.591 20 30 ECEDLO C#CCCCS(=O)(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000805062193 586874852 /nfs/dbraw/zinc/87/48/52/586874852.db2.gz SDHFYPDZBYHUPU-CYBMUJFWSA-N 1 2 338.433 0.244 20 30 ECEDLO CN(CCCC(=O)N[C@](C)(C#N)C[NH+](C)C)C(=O)c1ccncc1 ZINC000905494490 586898188 /nfs/dbraw/zinc/89/81/88/586898188.db2.gz CWNQROXQDSYWEE-QGZVFWFLSA-N 1 2 331.420 0.894 20 30 ECEDLO C=C(Br)CNC(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000775128678 586915478 /nfs/dbraw/zinc/91/54/78/586915478.db2.gz LJMXHQJYJNAEJF-UHFFFAOYSA-N 1 2 337.177 0.975 20 30 ECEDLO C#CCN1CCN(C(=O)c2cccn2CC[NH+]2CCOCC2)CC1 ZINC000906675066 586964792 /nfs/dbraw/zinc/96/47/92/586964792.db2.gz PWOXIJKVTRXFBC-UHFFFAOYSA-N 1 2 330.432 0.211 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000800918145 586976982 /nfs/dbraw/zinc/97/69/82/586976982.db2.gz AUOBROKFSXSBRH-RYUDHWBXSA-N 1 2 345.494 0.574 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C3CCOCC3)CC2)nc1 ZINC000907016601 587006422 /nfs/dbraw/zinc/00/64/22/587006422.db2.gz JCMSFTGYVQFSOG-UHFFFAOYSA-N 1 2 336.417 0.439 20 30 ECEDLO COCC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cn2)C(C)(C)C1 ZINC000907265364 587031116 /nfs/dbraw/zinc/03/11/16/587031116.db2.gz UYYBTXBTYYSBSO-UHFFFAOYSA-N 1 2 338.433 0.685 20 30 ECEDLO COCC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cn2)C(C)(C)C1 ZINC000907265364 587031117 /nfs/dbraw/zinc/03/11/17/587031117.db2.gz UYYBTXBTYYSBSO-UHFFFAOYSA-N 1 2 338.433 0.685 20 30 ECEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(C#N)cn1 ZINC000807155312 587120326 /nfs/dbraw/zinc/12/03/26/587120326.db2.gz GBCFVJILAKKBCX-BBRMVZONSA-N 1 2 329.404 0.958 20 30 ECEDLO CN(C)c1c(C=[NH+]NCCCc2ccccc2)c(=O)n(C)c(=O)n1C ZINC000807970799 587140729 /nfs/dbraw/zinc/14/07/29/587140729.db2.gz XCBXGKGGBDSHQQ-UHFFFAOYSA-N 1 2 343.431 0.706 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)[C@H]1CCCO1 ZINC000809313049 587175169 /nfs/dbraw/zinc/17/51/69/587175169.db2.gz QHFXXZGDWIFKMI-HZSPNIEDSA-N 1 2 330.388 0.413 20 30 ECEDLO CN(C)C(=O)[C@H]1CC[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000840174278 587176944 /nfs/dbraw/zinc/17/69/44/587176944.db2.gz KJHZMWZLAVLSND-AWEZNQCLSA-N 1 2 328.416 0.966 20 30 ECEDLO CN(C)C(=O)[C@H]1CC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000840174278 587176946 /nfs/dbraw/zinc/17/69/46/587176946.db2.gz KJHZMWZLAVLSND-AWEZNQCLSA-N 1 2 328.416 0.966 20 30 ECEDLO C=C(Br)CNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000809460672 587178114 /nfs/dbraw/zinc/17/81/14/587178114.db2.gz OALBPKMQLWIULQ-SECBINFHSA-N 1 2 327.182 0.339 20 30 ECEDLO COC(=O)[C@@H](NC(=O)CO[NH+]=C(N)c1ccc(OC)cc1)C(C)C ZINC000809994499 587187948 /nfs/dbraw/zinc/18/79/48/587187948.db2.gz ZXOCQNZURUDVKA-AWEZNQCLSA-N 1 2 337.376 0.646 20 30 ECEDLO COc1ccc(F)cc1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000812222843 587232725 /nfs/dbraw/zinc/23/27/25/587232725.db2.gz SMAKLAXVEUUNFI-UHFFFAOYSA-N 1 2 340.424 0.965 20 30 ECEDLO C#CC[C@@H](CO)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000816671469 587318621 /nfs/dbraw/zinc/31/86/21/587318621.db2.gz YHJVEBNEYSKDIW-ZBFHGGJFSA-N 1 2 333.407 0.837 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2ncc(-c3nn[nH]n3)cc2Cl)CC1 ZINC000819698093 587486353 /nfs/dbraw/zinc/48/63/53/587486353.db2.gz SOELKVACWBNYSS-UHFFFAOYSA-N 1 2 345.794 0.696 20 30 ECEDLO C#CCCOc1ccc(C(=O)N[C@@H](CO)C[NH+]2CCOCC2)cc1 ZINC000820014461 587503165 /nfs/dbraw/zinc/50/31/65/587503165.db2.gz AGUZWAYNJAHBQP-MRXNPFEDSA-N 1 2 332.400 0.512 20 30 ECEDLO C[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CCN(O)C3=O)c2C1 ZINC000820149101 587513196 /nfs/dbraw/zinc/51/31/96/587513196.db2.gz LNLBHFDUKUAXHN-OAHLLOKOSA-N 1 2 340.383 0.943 20 30 ECEDLO C[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CCN(O)C3=O)c2C1 ZINC000820149101 587513198 /nfs/dbraw/zinc/51/31/98/587513198.db2.gz LNLBHFDUKUAXHN-OAHLLOKOSA-N 1 2 340.383 0.943 20 30 ECEDLO CON=C(C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1csc(N)n1 ZINC000820837647 587559201 /nfs/dbraw/zinc/55/92/01/587559201.db2.gz MNNCDGRJEWMDBG-SNVBAGLBSA-N 1 2 339.421 0.009 20 30 ECEDLO COCC(COC)[NH+]1CCN(C(=O)c2ccc(C#N)cc2OC)CC1 ZINC000822600892 587667987 /nfs/dbraw/zinc/66/79/87/587667987.db2.gz QSDHVFGXDHXGPT-UHFFFAOYSA-N 1 2 347.415 0.986 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])CC1 ZINC000825618386 587953667 /nfs/dbraw/zinc/95/36/67/587953667.db2.gz BJTXHWDDBRPBGY-OAGGEKHMSA-N 1 2 333.432 0.482 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])CC1 ZINC000825618386 587953668 /nfs/dbraw/zinc/95/36/68/587953668.db2.gz BJTXHWDDBRPBGY-OAGGEKHMSA-N 1 2 333.432 0.482 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000825904868 587971288 /nfs/dbraw/zinc/97/12/88/587971288.db2.gz HILHSYRZZAPDJP-IRXDYDNUSA-N 1 2 346.427 0.609 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000826888069 588088607 /nfs/dbraw/zinc/08/86/07/588088607.db2.gz NABIPUYPHZUYPZ-OKILXGFUSA-N 1 2 347.481 0.338 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000826888069 588088609 /nfs/dbraw/zinc/08/86/09/588088609.db2.gz NABIPUYPHZUYPZ-OKILXGFUSA-N 1 2 347.481 0.338 20 30 ECEDLO CCN1C[C@@H](C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)OC1=O ZINC000846815071 589225647 /nfs/dbraw/zinc/22/56/47/589225647.db2.gz IKFVWQOBKWZLKT-OLZOCXBDSA-N 1 2 330.392 0.699 20 30 ECEDLO CCN1C[C@@H](C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)OC1=O ZINC000846815071 589225648 /nfs/dbraw/zinc/22/56/48/589225648.db2.gz IKFVWQOBKWZLKT-OLZOCXBDSA-N 1 2 330.392 0.699 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C(C)=C\c2ccccn2)CC1 ZINC000847446179 589247311 /nfs/dbraw/zinc/24/73/11/589247311.db2.gz LFXLKUPXCUQYED-PEZBUJJGSA-N 1 2 340.427 0.769 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C(C)=C\c2ccccn2)CC1 ZINC000847446179 589247312 /nfs/dbraw/zinc/24/73/12/589247312.db2.gz LFXLKUPXCUQYED-PEZBUJJGSA-N 1 2 340.427 0.769 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCO[C@@H](C)[C@H]2C(F)(F)F)CC1 ZINC000852750245 589510363 /nfs/dbraw/zinc/51/03/63/589510363.db2.gz PKHKQBFBSZUVNO-JSGCOSHPSA-N 1 2 333.354 0.415 20 30 ECEDLO COC(=O)CCN1CC[C@@H](O[NH+]=C(N)c2ccc3c(c2)CCO3)C1=O ZINC000853679616 589554662 /nfs/dbraw/zinc/55/46/62/589554662.db2.gz FFRVBDCVVWYALR-CQSZACIVSA-N 1 2 347.371 0.422 20 30 ECEDLO C#CC[C@H](COC)NC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000858925020 589782899 /nfs/dbraw/zinc/78/28/99/589782899.db2.gz XEDRFWWXRNHZOX-SJORKVTESA-N 1 2 346.431 0.620 20 30 ECEDLO C#CC[C@H](COC)NC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000858925020 589782902 /nfs/dbraw/zinc/78/29/02/589782902.db2.gz XEDRFWWXRNHZOX-SJORKVTESA-N 1 2 346.431 0.620 20 30 ECEDLO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCN(CCCCO)CC1 ZINC000859198362 589806783 /nfs/dbraw/zinc/80/67/83/589806783.db2.gz FQXZKIQONNRIHY-QGZVFWFLSA-N 1 2 333.432 0.688 20 30 ECEDLO C#CCCN(CCOC)C(=O)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000867641029 589820063 /nfs/dbraw/zinc/82/00/63/589820063.db2.gz ROZXWRYRXMOUFI-KRWDZBQOSA-N 1 2 343.427 0.788 20 30 ECEDLO C#CCCN(CCOC)C(=O)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000867641029 589820064 /nfs/dbraw/zinc/82/00/64/589820064.db2.gz ROZXWRYRXMOUFI-KRWDZBQOSA-N 1 2 343.427 0.788 20 30 ECEDLO C#C[C@@H](NC(=O)N1CC[NH+](CCc2cnccn2)CC1)[C@@H]1CCCO1 ZINC000868514935 589911267 /nfs/dbraw/zinc/91/12/67/589911267.db2.gz SFPNTXUBYZMJLA-SJORKVTESA-N 1 2 343.431 0.527 20 30 ECEDLO N#Cc1ccc(CC(=O)N2Cc3ccc[nH+]c3N3C[C@H](O)C[C@H]3C2)cn1 ZINC000862251954 589935240 /nfs/dbraw/zinc/93/52/40/589935240.db2.gz AIEQHPXHDGURMB-DLBZAZTESA-N 1 2 349.394 0.873 20 30 ECEDLO N#Cc1c(F)cccc1C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870064322 589995277 /nfs/dbraw/zinc/99/52/77/589995277.db2.gz JPBCHIMGMBZLAB-ZDUSSCGKSA-N 1 2 333.363 0.871 20 30 ECEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCN(c2ccc(C#N)cc2)CC1 ZINC000870096219 590000060 /nfs/dbraw/zinc/00/00/60/590000060.db2.gz MHQSUOGHDLQHFM-KRWDZBQOSA-N 1 2 328.416 0.928 20 30 ECEDLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCN(c2ccc(C#N)cc2)CC1 ZINC000870096219 590000061 /nfs/dbraw/zinc/00/00/61/590000061.db2.gz MHQSUOGHDLQHFM-KRWDZBQOSA-N 1 2 328.416 0.928 20 30 ECEDLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1 ZINC000123320448 590030246 /nfs/dbraw/zinc/03/02/46/590030246.db2.gz QOEHHFGZFMXPMZ-LBPRGKRZSA-N 1 2 341.408 0.775 20 30 ECEDLO CN1C(=O)CN(N=Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1=O ZINC000872360622 590115087 /nfs/dbraw/zinc/11/50/87/590115087.db2.gz ASYJROYNOVTGBS-UHFFFAOYSA-N 1 2 346.387 0.626 20 30 ECEDLO C#CC[C@H]1NC(=O)N(C2CC[NH+](CC(=O)OC(C)(C)C)CC2)C1=O ZINC000865323729 590139453 /nfs/dbraw/zinc/13/94/53/590139453.db2.gz PHWNELNVSFHTTE-CYBMUJFWSA-N 1 2 335.404 0.736 20 30 ECEDLO C=CCN1CCN(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)C1=O ZINC000872794688 590149543 /nfs/dbraw/zinc/14/95/43/590149543.db2.gz JWADZCFUOKVDHI-UHFFFAOYSA-N 1 2 326.404 0.956 20 30 ECEDLO Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000873663867 590194979 /nfs/dbraw/zinc/19/49/79/590194979.db2.gz NLJOJYSUERMALB-LBPRGKRZSA-N 1 2 348.378 0.781 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2(c3cc(C)no3)CC2)CC1 ZINC000874383145 590236913 /nfs/dbraw/zinc/23/69/13/590236913.db2.gz PLXIDXDBCJLUES-UHFFFAOYSA-N 1 2 344.415 0.298 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(c3cc(C)no3)CC2)CC1 ZINC000874383145 590236915 /nfs/dbraw/zinc/23/69/15/590236915.db2.gz PLXIDXDBCJLUES-UHFFFAOYSA-N 1 2 344.415 0.298 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000875142522 590275287 /nfs/dbraw/zinc/27/52/87/590275287.db2.gz MHQIQOQIKKRKGA-AWEZNQCLSA-N 1 2 347.415 0.868 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000875426683 590301401 /nfs/dbraw/zinc/30/14/01/590301401.db2.gz PRUBFDPDPAIERP-ZFWWWQNUSA-N 1 2 344.415 0.567 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000875426427 590301413 /nfs/dbraw/zinc/30/14/13/590301413.db2.gz KULVIVUDESXDGB-XKQJLSEDSA-N 1 2 343.427 0.997 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000875426427 590301414 /nfs/dbraw/zinc/30/14/14/590301414.db2.gz KULVIVUDESXDGB-XKQJLSEDSA-N 1 2 343.427 0.997 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000875597017 590312458 /nfs/dbraw/zinc/31/24/58/590312458.db2.gz YBGMDLLUISOVEI-LSDHHAIUSA-N 1 2 346.431 0.671 20 30 ECEDLO COc1ccc(N2CC[NH+](CC(=O)NCCC#N)CC2)c(OC)c1 ZINC000879463750 590313158 /nfs/dbraw/zinc/31/31/58/590313158.db2.gz NZQOUMLXXKNULG-UHFFFAOYSA-N 1 2 332.404 0.856 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCO[C@](C)(C(F)(F)F)C2)CC1 ZINC000879505059 590316480 /nfs/dbraw/zinc/31/64/80/590316480.db2.gz VAVWUVZHXJARBO-AWEZNQCLSA-N 1 2 333.354 0.417 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000879763135 590342570 /nfs/dbraw/zinc/34/25/70/590342570.db2.gz BWGZJWLITABGKZ-CYBMUJFWSA-N 1 2 334.342 0.891 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000879763135 590342572 /nfs/dbraw/zinc/34/25/72/590342572.db2.gz BWGZJWLITABGKZ-CYBMUJFWSA-N 1 2 334.342 0.891 20 30 ECEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]3CCNC(=O)[C@@H]32)c1 ZINC000880531933 590400837 /nfs/dbraw/zinc/40/08/37/590400837.db2.gz YLBKHSCYOZHORQ-DOTOQJQBSA-N 1 2 326.400 0.775 20 30 ECEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H]3CCNC(=O)[C@@H]32)c1 ZINC000880531933 590400840 /nfs/dbraw/zinc/40/08/40/590400840.db2.gz YLBKHSCYOZHORQ-DOTOQJQBSA-N 1 2 326.400 0.775 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(C)nc2C#N)CC1 ZINC000881918921 590492258 /nfs/dbraw/zinc/49/22/58/590492258.db2.gz HLXQWLZFUAADBA-HNNXBMFYSA-N 1 2 345.447 0.925 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](CC(=O)c2cc(C(=O)OC)[nH]c2C)CC1 ZINC000878019716 590492987 /nfs/dbraw/zinc/49/29/87/590492987.db2.gz ZLIOMHFILBFYSE-UHFFFAOYSA-N 1 2 345.399 0.754 20 30 ECEDLO C=CC[C@@H](C(=O)OC)[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000878649249 590533128 /nfs/dbraw/zinc/53/31/28/590533128.db2.gz YUZIEQGKNDQNMR-AWEZNQCLSA-N 1 2 342.417 0.762 20 30 ECEDLO C=CC[C@@H](C(=O)OC)[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000878649249 590533129 /nfs/dbraw/zinc/53/31/29/590533129.db2.gz YUZIEQGKNDQNMR-AWEZNQCLSA-N 1 2 342.417 0.762 20 30 ECEDLO C#CC[N@@H+](CC(=O)N1CCN(c2cnccn2)CC1)C1CSC1 ZINC000878909442 590550923 /nfs/dbraw/zinc/55/09/23/590550923.db2.gz CPPMZIFFFOUJNK-UHFFFAOYSA-N 1 2 331.445 0.176 20 30 ECEDLO C#CC[N@H+](CC(=O)N1CCN(c2cnccn2)CC1)C1CSC1 ZINC000878909442 590550924 /nfs/dbraw/zinc/55/09/24/590550924.db2.gz CPPMZIFFFOUJNK-UHFFFAOYSA-N 1 2 331.445 0.176 20 30 ECEDLO C#CC1(F)CN(C(=O)NCC2([NH+]3CCOCC3)CC(OCC)C2)C1 ZINC000883652733 590642685 /nfs/dbraw/zinc/64/26/85/590642685.db2.gz AEPRUHJWIKSEJN-UHFFFAOYSA-N 1 2 339.411 0.623 20 30 ECEDLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(CCC#N)cc2)CC1 ZINC000885025923 590675281 /nfs/dbraw/zinc/67/52/81/590675281.db2.gz RVBWMDFEARICPB-CQSZACIVSA-N 1 2 337.445 0.830 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)Cc2cc(OC)ns2)C1 ZINC000885508822 590729247 /nfs/dbraw/zinc/72/92/47/590729247.db2.gz MBZNLYQEAKTYLS-LLVKDONJSA-N 1 2 329.447 0.669 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)Cc2cc(OC)ns2)C1 ZINC000885508822 590729249 /nfs/dbraw/zinc/72/92/49/590729249.db2.gz MBZNLYQEAKTYLS-LLVKDONJSA-N 1 2 329.447 0.669 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)[C@H]2CCCC[C@H]2C(=O)OC)C1 ZINC000885511573 590730221 /nfs/dbraw/zinc/73/02/21/590730221.db2.gz JYJDTXRYZURPBC-ZNMIVQPWSA-N 1 2 342.461 0.735 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)[C@H]2CCCC[C@H]2C(=O)OC)C1 ZINC000885511573 590730222 /nfs/dbraw/zinc/73/02/22/590730222.db2.gz JYJDTXRYZURPBC-ZNMIVQPWSA-N 1 2 342.461 0.735 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C1 ZINC000885511377 590730639 /nfs/dbraw/zinc/73/06/39/590730639.db2.gz GXSXEBNCDPQXFU-CQSZACIVSA-N 1 2 345.424 0.904 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C1 ZINC000885511377 590730642 /nfs/dbraw/zinc/73/06/42/590730642.db2.gz GXSXEBNCDPQXFU-CQSZACIVSA-N 1 2 345.424 0.904 20 30 ECEDLO NC(C[NH+]1CCSCC1)=NOCC(=O)NCc1ccccc1F ZINC000136081611 590744488 /nfs/dbraw/zinc/74/44/88/590744488.db2.gz LYPNLVQWFDIDIF-UHFFFAOYSA-N 1 2 340.424 0.780 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CC2(CO1)CCOCC2 ZINC000884468506 590835199 /nfs/dbraw/zinc/83/51/99/590835199.db2.gz FGSBJKHZNGGVJQ-OLZOCXBDSA-N 1 2 326.393 0.135 20 30 ECEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000925585109 611488645 /nfs/dbraw/zinc/48/86/45/611488645.db2.gz MUKPTHOBIAWXNJ-ZBFHGGJFSA-N 1 2 335.452 0.479 20 30 ECEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000925616838 611493165 /nfs/dbraw/zinc/49/31/65/611493165.db2.gz OJHFDCNRROFEMC-OWCLPIDISA-N 1 2 337.468 0.725 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC(NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC000947503393 611569498 /nfs/dbraw/zinc/56/94/98/611569498.db2.gz GFECEEMUENGHDA-UHFFFAOYSA-N 1 2 340.387 0.583 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3nccn3C)[C@@H](C)C2)nn1 ZINC000947791305 608737011 /nfs/dbraw/zinc/73/70/11/608737011.db2.gz AWLRDCPAYRBPCU-KBPBESRZSA-N 1 2 343.435 0.981 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3nccn3C)[C@@H](C)C2)nn1 ZINC000947791305 608737014 /nfs/dbraw/zinc/73/70/14/608737014.db2.gz AWLRDCPAYRBPCU-KBPBESRZSA-N 1 2 343.435 0.981 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CCS(C)(=O)=O)[C@@H](C)C2)c1 ZINC000947710533 611662572 /nfs/dbraw/zinc/66/25/72/611662572.db2.gz NMGGUHCSCVKASA-BBRMVZONSA-N 1 2 349.456 0.690 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CCS(C)(=O)=O)[C@@H](C)C2)c1 ZINC000947710533 611662574 /nfs/dbraw/zinc/66/25/74/611662574.db2.gz NMGGUHCSCVKASA-BBRMVZONSA-N 1 2 349.456 0.690 20 30 ECEDLO O=C(NCC#CCO)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000923774271 608914791 /nfs/dbraw/zinc/91/47/91/608914791.db2.gz QUHKKLOZZGGLAD-STQMWFEESA-N 1 2 325.409 0.955 20 30 ECEDLO O=C(NCC#CCO)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000923774271 608914793 /nfs/dbraw/zinc/91/47/93/608914793.db2.gz QUHKKLOZZGGLAD-STQMWFEESA-N 1 2 325.409 0.955 20 30 ECEDLO CN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000937057648 608938907 /nfs/dbraw/zinc/93/89/07/608938907.db2.gz ADLFURHFJNEUIT-GFCCVEGCSA-N 1 2 326.360 0.525 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCN2C(=O)CCc2[nH]cc[nH+]2)nn1 ZINC000950052619 608959916 /nfs/dbraw/zinc/95/99/16/608959916.db2.gz KRASWGJXQQUYBB-GFCCVEGCSA-N 1 2 343.391 0.151 20 30 ECEDLO C=CC[N@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@H]1C ZINC000947825672 608966478 /nfs/dbraw/zinc/96/64/78/608966478.db2.gz VDGCFDCGBYENFF-VXGBXAGGSA-N 1 2 330.392 0.226 20 30 ECEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@H]1C ZINC000947825672 608966482 /nfs/dbraw/zinc/96/64/82/608966482.db2.gz VDGCFDCGBYENFF-VXGBXAGGSA-N 1 2 330.392 0.226 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1 ZINC000937134402 608994157 /nfs/dbraw/zinc/99/41/57/608994157.db2.gz PFHCJQWJBKYGDW-HOTGVXAUSA-N 1 2 326.400 0.578 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000937270276 609095121 /nfs/dbraw/zinc/09/51/21/609095121.db2.gz AQYUYAJDHSAIJW-ZDUSSCGKSA-N 1 2 340.387 0.915 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000938168920 609478978 /nfs/dbraw/zinc/47/89/78/609478978.db2.gz HBCKUOMTKASXFN-GJZGRUSLSA-N 1 2 326.400 0.576 20 30 ECEDLO Cc1cc(S(=O)(=O)N2CCN(C)CC[N@@H+](C)CC2)ccc1C#N ZINC000907787270 609621912 /nfs/dbraw/zinc/62/19/12/609621912.db2.gz ABUVXZNZBXZIPJ-UHFFFAOYSA-N 1 2 336.461 0.735 20 30 ECEDLO Cc1cc(S(=O)(=O)N2CCN(C)CC[N@H+](C)CC2)ccc1C#N ZINC000907787270 609621914 /nfs/dbraw/zinc/62/19/14/609621914.db2.gz ABUVXZNZBXZIPJ-UHFFFAOYSA-N 1 2 336.461 0.735 20 30 ECEDLO C=CCn1c(-c2cccnn2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000908703072 609658701 /nfs/dbraw/zinc/65/87/01/609658701.db2.gz WVBBRNDUYCZKQC-UHFFFAOYSA-N 1 2 329.408 0.690 20 30 ECEDLO C[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1cccc(C(N)=O)c1 ZINC000919804454 609663491 /nfs/dbraw/zinc/66/34/91/609663491.db2.gz VTBOKCAABAJEDT-UHFFFAOYSA-N 1 2 327.388 0.873 20 30 ECEDLO C[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1cccc(C(N)=O)c1 ZINC000919804454 609663492 /nfs/dbraw/zinc/66/34/92/609663492.db2.gz VTBOKCAABAJEDT-UHFFFAOYSA-N 1 2 327.388 0.873 20 30 ECEDLO N#Cc1ncccc1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921322742 609703755 /nfs/dbraw/zinc/70/37/55/609703755.db2.gz XIKFZVRXJATOTN-WCQYABFASA-N 1 2 338.458 0.811 20 30 ECEDLO N#Cc1ncccc1S(=O)(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000921322742 609703756 /nfs/dbraw/zinc/70/37/56/609703756.db2.gz XIKFZVRXJATOTN-WCQYABFASA-N 1 2 338.458 0.811 20 30 ECEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2ccsc2C(=O)OC)CC1 ZINC000921440105 609717150 /nfs/dbraw/zinc/71/71/50/609717150.db2.gz RQTYDNDVERWSNV-UHFFFAOYSA-N 1 2 342.442 0.911 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000938388663 609770025 /nfs/dbraw/zinc/77/00/25/609770025.db2.gz HLXRWMIIHMDEGP-LZWOXQAQSA-N 1 2 346.431 0.959 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000938600194 609891382 /nfs/dbraw/zinc/89/13/82/609891382.db2.gz CLPVRTUYHWBGFB-ZOBUZTSGSA-N 1 2 346.431 0.924 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000938603969 609896047 /nfs/dbraw/zinc/89/60/47/609896047.db2.gz MMZSSYZKCSCIGY-OAGGEKHMSA-N 1 2 346.431 0.924 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000938779668 609994474 /nfs/dbraw/zinc/99/44/74/609994474.db2.gz FQFPARSZQHQVRN-ZOBUZTSGSA-N 1 2 346.431 0.924 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)c1 ZINC000938779796 609995269 /nfs/dbraw/zinc/99/52/69/609995269.db2.gz IAOHRSLLMKTDIS-MRXNPFEDSA-N 1 2 337.383 0.633 20 30 ECEDLO C=CCCn1cc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3cnsn3)C2)nn1 ZINC000939292704 610149298 /nfs/dbraw/zinc/14/92/98/610149298.db2.gz MNXKNWYCRJBAOC-YPMHNXCESA-N 1 2 347.448 0.956 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000939302667 610154865 /nfs/dbraw/zinc/15/48/65/610154865.db2.gz GMWOZXMNAKZLKI-LBPRGKRZSA-N 1 2 326.360 0.525 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)[nH]1 ZINC000940061102 610201260 /nfs/dbraw/zinc/20/12/60/610201260.db2.gz UDEIRPDDVAXYAI-GFCCVEGCSA-N 1 2 326.360 0.573 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000940099206 610208351 /nfs/dbraw/zinc/20/83/51/610208351.db2.gz UUZRUGMTTSTEFJ-GFCCVEGCSA-N 1 2 326.360 0.193 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(C4CC4)nn3C)CC2)C1 ZINC000941426609 610300728 /nfs/dbraw/zinc/30/07/28/610300728.db2.gz CWGNFIKAKJNGBH-UHFFFAOYSA-N 1 2 327.432 0.373 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnc4[nH]cnc4c3)CC2)C1 ZINC000941427057 610301005 /nfs/dbraw/zinc/30/10/05/610301005.db2.gz MAPCDYGMFIRHSJ-UHFFFAOYSA-N 1 2 338.415 0.423 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)C1 ZINC000941449851 610324014 /nfs/dbraw/zinc/32/40/14/610324014.db2.gz RRQHVHJCCFTLKL-UHFFFAOYSA-N 1 2 341.459 0.685 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccnc(OC)c3)CC2)C1 ZINC000941471035 610329602 /nfs/dbraw/zinc/32/96/02/610329602.db2.gz OBBLIBLGGIBCIC-UHFFFAOYSA-N 1 2 328.416 0.556 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c(C)cc(=O)oc3C)CC2)C1 ZINC000941481373 610335860 /nfs/dbraw/zinc/33/58/60/610335860.db2.gz VCZPMNKZSDQVJV-UHFFFAOYSA-N 1 2 343.427 0.722 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC000941484994 610337884 /nfs/dbraw/zinc/33/78/84/610337884.db2.gz LMUKQDKPQOZMLP-ZDUSSCGKSA-N 1 2 330.388 0.853 20 30 ECEDLO N#CCN1CC(N2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CC2)C1 ZINC000941563943 610384697 /nfs/dbraw/zinc/38/46/97/610384697.db2.gz QHYXUIREBCKWRB-AWEZNQCLSA-N 1 2 328.420 0.182 20 30 ECEDLO N#Cc1cc(C(=O)N2CCCN(C(=O)CCn3cc[nH+]c3)CC2)c[nH]1 ZINC000940812539 610385572 /nfs/dbraw/zinc/38/55/72/610385572.db2.gz KTPIRPZXXITNAV-UHFFFAOYSA-N 1 2 340.387 0.848 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccccc3-n3cccn3)CC2)C1 ZINC000941582931 610394338 /nfs/dbraw/zinc/39/43/38/610394338.db2.gz ZLAIDFYAQRICJW-UHFFFAOYSA-N 1 2 349.438 0.948 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3Cc4cc(F)ccc4O3)CC2)C1 ZINC000941587867 610397746 /nfs/dbraw/zinc/39/77/46/610397746.db2.gz YBDJNEBPEDMVOH-GOSISDBHSA-N 1 2 343.402 0.591 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)c3c(C)noc3C)CC2)C1 ZINC000941605760 610404234 /nfs/dbraw/zinc/40/42/34/610404234.db2.gz YBZVXZJGVQQPNE-CYBMUJFWSA-N 1 2 330.432 0.857 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnn(CC)c3C)CC2)C1 ZINC000941614708 610410445 /nfs/dbraw/zinc/41/04/45/610410445.db2.gz GXHQQXFLRXNJLB-UHFFFAOYSA-N 1 2 329.448 0.677 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3nc4ccccn4c3F)CC2)C1 ZINC000941630272 610417441 /nfs/dbraw/zinc/41/74/41/610417441.db2.gz MFAYSCDXFKHMPW-UHFFFAOYSA-N 1 2 341.390 0.549 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccnc(OC(C)C)c3)CC2)C1 ZINC000941636461 610422168 /nfs/dbraw/zinc/42/21/68/610422168.db2.gz MXZIHUPDMCEHIF-UHFFFAOYSA-N 1 2 342.443 0.944 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3ccc4c[nH]nc4c3)CC2)C1 ZINC000941654930 610429923 /nfs/dbraw/zinc/42/99/23/610429923.db2.gz OPTVSGJGFCLRBW-UHFFFAOYSA-N 1 2 337.427 0.567 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3cccc(OC)c3)CC2)C1 ZINC000941657662 610431593 /nfs/dbraw/zinc/43/15/93/610431593.db2.gz HNKGDALLFIECTI-UHFFFAOYSA-N 1 2 327.428 0.699 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ncc4n3CCCC4)CC2)C1 ZINC000941670172 610443975 /nfs/dbraw/zinc/44/39/75/610443975.db2.gz HIWKKXVZGYNPSG-UHFFFAOYSA-N 1 2 341.459 0.685 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)N3CCCCC3=O)CC2)C1 ZINC000941676868 610449405 /nfs/dbraw/zinc/44/94/05/610449405.db2.gz FXCPHIISEXQRIB-MRXNPFEDSA-N 1 2 346.475 0.239 20 30 ECEDLO C=CCC[NH+]1CC(N2CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)C1 ZINC000941665466 610456797 /nfs/dbraw/zinc/45/67/97/610456797.db2.gz ZTZUALANWXOTNF-UHFFFAOYSA-N 1 2 340.431 0.976 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@H](C)n3nc(C)cc3C)CC2)C1 ZINC000941668081 610458891 /nfs/dbraw/zinc/45/88/91/610458891.db2.gz FSQOUBHOHHXHGM-KRWDZBQOSA-N 1 2 343.475 0.913 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCN3C(=O)C(C)C)CC2)C1 ZINC000941669236 610459192 /nfs/dbraw/zinc/45/91/92/610459192.db2.gz WLIUZWFSTDBABB-QGZVFWFLSA-N 1 2 346.475 0.095 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnc(COC)s3)CC2)C1 ZINC000941691354 610466157 /nfs/dbraw/zinc/46/61/57/610466157.db2.gz VNTZYVXZGHVCQH-UHFFFAOYSA-N 1 2 334.445 0.365 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccnc3OC(C)C)CC2)C1 ZINC000941691689 610466532 /nfs/dbraw/zinc/46/65/32/610466532.db2.gz CHHFVZSKMCZEHC-UHFFFAOYSA-N 1 2 342.443 0.944 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC34CCOCC4)CC2)C1 ZINC000941693232 610466904 /nfs/dbraw/zinc/46/69/04/610466904.db2.gz SJUSMHAOGXFQPI-QGZVFWFLSA-N 1 2 331.460 0.655 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000941930889 610567931 /nfs/dbraw/zinc/56/79/31/610567931.db2.gz PPPRKLFQFBORDT-GFCCVEGCSA-N 1 2 326.360 0.491 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H](N(CC)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000942720127 610584680 /nfs/dbraw/zinc/58/46/80/610584680.db2.gz OHEIQCLQGLAHHD-LSDHHAIUSA-N 1 2 337.464 0.979 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000942720127 610584681 /nfs/dbraw/zinc/58/46/81/610584681.db2.gz OHEIQCLQGLAHHD-LSDHHAIUSA-N 1 2 337.464 0.979 20 30 ECEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000942742962 610594661 /nfs/dbraw/zinc/59/46/61/610594661.db2.gz DZLRAITUALQJKB-CQSZACIVSA-N 1 2 340.387 0.915 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000944147737 610758063 /nfs/dbraw/zinc/75/80/63/610758063.db2.gz AQCHGXXAIVAZFJ-CYBMUJFWSA-N 1 2 340.387 0.583 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)c1 ZINC000943668052 610935976 /nfs/dbraw/zinc/93/59/76/610935976.db2.gz PILHDKMEWSKTMN-HDJSIYSDSA-N 1 2 340.387 0.940 20 30 ECEDLO C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000945279278 610994799 /nfs/dbraw/zinc/99/47/99/610994799.db2.gz LKJGMVPOYHOBPZ-FZMZJTMJSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945280191 610995164 /nfs/dbraw/zinc/99/51/64/610995164.db2.gz NUQJJUJATWMNPI-DOMZBBRYSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000945542018 611065969 /nfs/dbraw/zinc/06/59/69/611065969.db2.gz NKULUPXHEKTGKO-IAQYHMDHSA-N 1 2 340.387 0.819 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CCCN2C(=O)Cn2cc[nH+]c2)c1 ZINC000944107066 611127039 /nfs/dbraw/zinc/12/70/39/611127039.db2.gz VUYDVTUFEWFJQE-CYBMUJFWSA-N 1 2 326.360 0.504 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CCC[C@H]2NC(=O)Cc2[nH]cc[nH+]2)c[nH]1 ZINC000946296476 611202054 /nfs/dbraw/zinc/20/20/54/611202054.db2.gz YRTJTYBRFYOAAV-BXUZGUMPSA-N 1 2 340.387 0.867 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC000946067912 611221255 /nfs/dbraw/zinc/22/12/55/611221255.db2.gz VYBCTDOWONQPQM-HOCLYGCPSA-N 1 2 326.400 0.815 20 30 ECEDLO C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)CC1 ZINC000923270822 611222873 /nfs/dbraw/zinc/22/28/73/611222873.db2.gz ZKGSCPMWAAXRCW-GXTWGEPZSA-N 1 2 327.450 0.349 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000946901880 611244865 /nfs/dbraw/zinc/24/48/65/611244865.db2.gz CJPKPJLKSNRKKP-CVEARBPZSA-N 1 2 346.431 0.972 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)CN(C)c2ncnc3[nH]cnc32)C1 ZINC000923582199 611269532 /nfs/dbraw/zinc/26/95/32/611269532.db2.gz GNISDQVDVWGPTQ-LBPRGKRZSA-N 1 2 327.392 0.003 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)CN(C)c2ncnc3[nH]cnc32)C1 ZINC000923582199 611269534 /nfs/dbraw/zinc/26/95/34/611269534.db2.gz GNISDQVDVWGPTQ-LBPRGKRZSA-N 1 2 327.392 0.003 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)N(C)C)o2)C1 ZINC000923585041 611271494 /nfs/dbraw/zinc/27/14/94/611271494.db2.gz YWLHJJOPPKTBPI-LBPRGKRZSA-N 1 2 339.417 0.357 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)N(C)C)o2)C1 ZINC000923585041 611271496 /nfs/dbraw/zinc/27/14/96/611271496.db2.gz YWLHJJOPPKTBPI-LBPRGKRZSA-N 1 2 339.417 0.357 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)Cn2cc[nH+]c2)c1 ZINC000946242827 611316853 /nfs/dbraw/zinc/31/68/53/611316853.db2.gz VOJZRUXRXBWSQQ-UONOGXRCSA-N 1 2 340.387 0.798 20 30 ECEDLO C#CC[NH+]1CCC(NC(=O)NC[C@H]2CCCCS2(=O)=O)CC1 ZINC000921907802 611324929 /nfs/dbraw/zinc/32/49/29/611324929.db2.gz JWDKLLKUWJKVER-CQSZACIVSA-N 1 2 327.450 0.351 20 30 ECEDLO CCN(C(=O)c1ccc(C#N)[nH]1)C1C[NH+](C[C@H]2CCc3ncnn32)C1 ZINC000949913121 611812264 /nfs/dbraw/zinc/81/22/64/611812264.db2.gz RDIAIJVBRGVMEJ-CYBMUJFWSA-N 1 2 339.403 0.812 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCOC2(CC[NH+]([C@@H](C)c3nncn3C)CC2)C1 ZINC000949053861 611830813 /nfs/dbraw/zinc/83/08/13/611830813.db2.gz MVZBFOHDODXVDS-KBPBESRZSA-N 1 2 346.435 0.729 20 30 ECEDLO C=CCN(CC(=O)OCC)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935095811 611842284 /nfs/dbraw/zinc/84/22/84/611842284.db2.gz ZCRNTUYNTAOQMW-CABCVRRESA-N 1 2 340.420 0.444 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)Cc3cnn(C)c3C)CC2)C1 ZINC000949378993 611957278 /nfs/dbraw/zinc/95/72/78/611957278.db2.gz JHAHTFLIMPNNQU-UHFFFAOYSA-N 1 2 330.432 0.598 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)Cc3cnn(C)c3C)CC2)C1 ZINC000949378993 611957282 /nfs/dbraw/zinc/95/72/82/611957282.db2.gz JHAHTFLIMPNNQU-UHFFFAOYSA-N 1 2 330.432 0.598 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000949387029 611960543 /nfs/dbraw/zinc/96/05/43/611960543.db2.gz FTTHJGVSCGZDLF-ZFWWWQNUSA-N 1 2 343.431 0.960 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000950321299 611970160 /nfs/dbraw/zinc/97/01/60/611970160.db2.gz ZDZRGXJPCQHRAA-ZDUSSCGKSA-N 1 2 340.387 0.881 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](OC)c3cnn(C)c3)CC2)C1 ZINC000949426916 611975360 /nfs/dbraw/zinc/97/53/60/611975360.db2.gz AWNMPZHDUSCMJD-INIZCTEOSA-N 1 2 346.431 0.434 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](OC)c3cnn(C)c3)CC2)C1 ZINC000949426916 611975362 /nfs/dbraw/zinc/97/53/62/611975362.db2.gz AWNMPZHDUSCMJD-INIZCTEOSA-N 1 2 346.431 0.434 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3c(C)nn(C)c3C)CC2)C1 ZINC000949430468 611977508 /nfs/dbraw/zinc/97/75/08/611977508.db2.gz UTPWAUNVIATTOR-UHFFFAOYSA-N 1 2 330.432 0.977 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3c(C)nn(C)c3C)CC2)C1 ZINC000949430468 611977510 /nfs/dbraw/zinc/97/75/10/611977510.db2.gz UTPWAUNVIATTOR-UHFFFAOYSA-N 1 2 330.432 0.977 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)CCc2[nH]cc[nH+]2)[nH]1 ZINC000949451983 611985627 /nfs/dbraw/zinc/98/56/27/611985627.db2.gz DMSZVNLRXQRPDS-LBPRGKRZSA-N 1 2 326.360 0.573 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000949452293 611986291 /nfs/dbraw/zinc/98/62/91/611986291.db2.gz IESVJNXHQCCASZ-GFCCVEGCSA-N 1 2 326.360 0.193 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000949452677 611986710 /nfs/dbraw/zinc/98/67/10/611986710.db2.gz NQTNNOSLLVUQIY-GFCCVEGCSA-N 1 2 326.360 0.491 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000949492001 612004331 /nfs/dbraw/zinc/00/43/31/612004331.db2.gz WJYJIPGGVOQPEH-ZDUSSCGKSA-N 1 2 326.360 0.193 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc(OC)nn3)CC2)C1 ZINC000949506704 612013544 /nfs/dbraw/zinc/01/35/44/612013544.db2.gz NCGQDRKSEWDXLP-UHFFFAOYSA-N 1 2 330.388 0.425 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccc(OC)nn3)CC2)C1 ZINC000949506704 612013546 /nfs/dbraw/zinc/01/35/46/612013546.db2.gz NCGQDRKSEWDXLP-UHFFFAOYSA-N 1 2 330.388 0.425 20 30 ECEDLO C=C(C)C[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)CC1 ZINC000950474416 612033790 /nfs/dbraw/zinc/03/37/90/612033790.db2.gz JEALMBNSOUGRBN-CVEARBPZSA-N 1 2 335.448 0.877 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC000953340653 612257808 /nfs/dbraw/zinc/25/78/08/612257808.db2.gz QIRNMLBZCMHYHH-HZPDHXFCSA-N 1 2 326.400 0.746 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CCc1c[nH+]cn1C ZINC000952174461 612264545 /nfs/dbraw/zinc/26/45/45/612264545.db2.gz KUVZDXVCJDOHRG-OAGGEKHMSA-N 1 2 346.431 0.661 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cn1 ZINC000951493714 612268766 /nfs/dbraw/zinc/26/87/66/612268766.db2.gz DACBDVFFPUBLMM-OAHLLOKOSA-N 1 2 337.383 0.750 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000954466809 612302211 /nfs/dbraw/zinc/30/22/11/612302211.db2.gz GINWQHFOPGNFNK-LBPRGKRZSA-N 1 2 329.404 0.591 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@@](C)(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000956802146 612565397 /nfs/dbraw/zinc/56/53/97/612565397.db2.gz HGKFCXZKRVJDBW-QGZVFWFLSA-N 1 2 340.387 0.583 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC000951814321 612654257 /nfs/dbraw/zinc/65/42/57/612654257.db2.gz JLIXCWQTVVVPMF-CQSZACIVSA-N 1 2 337.383 0.750 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000954106751 612669210 /nfs/dbraw/zinc/66/92/10/612669210.db2.gz HWUXGIGIYALJQL-UHFFFAOYSA-N 1 2 340.387 0.870 20 30 ECEDLO CC1(NC(=O)c2cc(C#N)c[nH]2)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000956333944 612839206 /nfs/dbraw/zinc/83/92/06/612839206.db2.gz SLOKZIXRMMTMQD-UHFFFAOYSA-N 1 2 340.387 0.963 20 30 ECEDLO CC1(NC(=O)c2ccc(C#N)[nH]2)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000956341356 612842154 /nfs/dbraw/zinc/84/21/54/612842154.db2.gz XHHGCEAJLMFKMN-UHFFFAOYSA-N 1 2 340.387 0.894 20 30 ECEDLO C=CCCn1cc(C(=O)N(C)C2CN(C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC000954381837 612885419 /nfs/dbraw/zinc/88/54/19/612885419.db2.gz RNUSRWKAXKMDRZ-UHFFFAOYSA-N 1 2 343.391 0.103 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)COC)CC2)C1 ZINC000956579431 612916826 /nfs/dbraw/zinc/91/68/26/612916826.db2.gz ZQVBTKNIHWCYEL-OAHLLOKOSA-N 1 2 337.464 0.980 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001024956500 738428806 /nfs/dbraw/zinc/42/88/06/738428806.db2.gz GPYAQWYDIIJBQE-CKEIUWERSA-N 1 2 334.420 0.551 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1nncn1C ZINC001024987654 738462072 /nfs/dbraw/zinc/46/20/72/738462072.db2.gz NOLIXZCWBRZEPP-HOTGVXAUSA-N 1 2 344.463 0.383 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cn3ccc(C)cc3n2)[C@@H](n2ccnn2)C1 ZINC001069972088 790262419 /nfs/dbraw/zinc/26/24/19/790262419.db2.gz YTGYELJGVOSHNJ-ZBFHGGJFSA-N 1 2 349.398 0.523 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn3ccc(C)cc3n2)[C@@H](n2ccnn2)C1 ZINC001069972088 790262425 /nfs/dbraw/zinc/26/24/25/790262425.db2.gz YTGYELJGVOSHNJ-ZBFHGGJFSA-N 1 2 349.398 0.523 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(COC)o2)[C@@H](n2ccnn2)C1 ZINC001069974785 790267239 /nfs/dbraw/zinc/26/72/39/790267239.db2.gz RCNYHGVJBKRPOX-CABCVRRESA-N 1 2 343.387 0.696 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(COC)o2)[C@@H](n2ccnn2)C1 ZINC001069974785 790267244 /nfs/dbraw/zinc/26/72/44/790267244.db2.gz RCNYHGVJBKRPOX-CABCVRRESA-N 1 2 343.387 0.696 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC(C)(C)CO2)[C@@H](n2ccnn2)C1 ZINC001069978103 790271462 /nfs/dbraw/zinc/27/14/62/790271462.db2.gz XBRYTPQEQXWJDR-ZNMIVQPWSA-N 1 2 331.420 0.458 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC(C)(C)CO2)[C@@H](n2ccnn2)C1 ZINC001069978103 790271465 /nfs/dbraw/zinc/27/14/65/790271465.db2.gz XBRYTPQEQXWJDR-ZNMIVQPWSA-N 1 2 331.420 0.458 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](CC(=O)NCC#N)C[C@H]2C)nn1C(C)C ZINC001211497890 731733969 /nfs/dbraw/zinc/73/39/69/731733969.db2.gz SCBXGYLYAZIENM-IUODEOHRSA-N 1 2 346.435 0.462 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]2C)nn1C(C)C ZINC001211497890 731733970 /nfs/dbraw/zinc/73/39/70/731733970.db2.gz SCBXGYLYAZIENM-IUODEOHRSA-N 1 2 346.435 0.462 20 30 ECEDLO C[C@@H](NC(=O)[C@H]1CCC(=O)N1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969409433 731816537 /nfs/dbraw/zinc/81/65/37/731816537.db2.gz HJNVVUAFWOPGAQ-BDJLRTHQSA-N 1 2 344.390 0.912 20 30 ECEDLO CCn1nncc1C[NH+]1CC([C@@H](C)NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000969514166 731940988 /nfs/dbraw/zinc/94/09/88/731940988.db2.gz LITFRMQNOATWQD-LLVKDONJSA-N 1 2 327.392 0.748 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(CC)o3)C2)nn1 ZINC000970205885 733199970 /nfs/dbraw/zinc/19/99/70/733199970.db2.gz PJVKRUPXWPKQLL-LLVKDONJSA-N 1 2 331.380 0.414 20 30 ECEDLO CC(C)N(CCN(C)c1ncccc1C#N)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125438758 734070225 /nfs/dbraw/zinc/07/02/25/734070225.db2.gz DMKNOGMQPALILH-MRXNPFEDSA-N 1 2 345.447 0.957 20 30 ECEDLO CC(C)N(CCN(C)c1ncccc1C#N)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125438758 734070228 /nfs/dbraw/zinc/07/02/28/734070228.db2.gz DMKNOGMQPALILH-MRXNPFEDSA-N 1 2 345.447 0.957 20 30 ECEDLO N#Cc1ccc(N2CCO[C@@H](CNC(=O)CCn3cc[nH+]c3)C2)nc1 ZINC001104338327 734436577 /nfs/dbraw/zinc/43/65/77/734436577.db2.gz SNBVBBIOPMKADK-HNNXBMFYSA-N 1 2 340.387 0.561 20 30 ECEDLO C=C(C)C[NH2+]CC1(CCNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001167466209 734635156 /nfs/dbraw/zinc/63/51/56/734635156.db2.gz GPJSWOOXVKXMIC-UHFFFAOYSA-N 1 2 344.419 0.523 20 30 ECEDLO Cc1nc(C(C)C)oc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114943382 734653244 /nfs/dbraw/zinc/65/32/44/734653244.db2.gz YUEJNCRLKAGQFN-IMRBUKKESA-N 1 2 345.403 0.406 20 30 ECEDLO Cc1nc(C(C)C)oc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114943382 734653246 /nfs/dbraw/zinc/65/32/46/734653246.db2.gz YUEJNCRLKAGQFN-IMRBUKKESA-N 1 2 345.403 0.406 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC000971488693 734681951 /nfs/dbraw/zinc/68/19/51/734681951.db2.gz DPLVNEGFJVBYRA-JTQLQIEISA-N 1 2 328.214 0.870 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC000971488693 734681949 /nfs/dbraw/zinc/68/19/49/734681949.db2.gz DPLVNEGFJVBYRA-JTQLQIEISA-N 1 2 328.214 0.870 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC000971725633 734993462 /nfs/dbraw/zinc/99/34/62/734993462.db2.gz KCULUQVMHIXTRK-JTQLQIEISA-N 1 2 332.242 0.939 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC000971725633 734993458 /nfs/dbraw/zinc/99/34/58/734993458.db2.gz KCULUQVMHIXTRK-JTQLQIEISA-N 1 2 332.242 0.939 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)C1 ZINC000972387674 736059923 /nfs/dbraw/zinc/05/99/23/736059923.db2.gz VLDWNFMOASGVHE-RKVPGOIHSA-N 1 2 333.432 0.228 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)C1 ZINC000972387674 736059930 /nfs/dbraw/zinc/05/99/30/736059930.db2.gz VLDWNFMOASGVHE-RKVPGOIHSA-N 1 2 333.432 0.228 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3ccc(C(F)F)n3)C2)C1 ZINC000972406506 736134012 /nfs/dbraw/zinc/13/40/12/736134012.db2.gz HMPBIWBEGZOJMW-INIZCTEOSA-N 1 2 338.358 0.757 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3ccc(C(F)F)n3)C2)C1 ZINC000972406506 736134013 /nfs/dbraw/zinc/13/40/13/736134013.db2.gz HMPBIWBEGZOJMW-INIZCTEOSA-N 1 2 338.358 0.757 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c(C4CC4)cnn3C)C2)C1 ZINC000972406931 736134752 /nfs/dbraw/zinc/13/47/52/736134752.db2.gz IRKHURHOYCGPBF-SFHVURJKSA-N 1 2 328.416 0.848 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c(C4CC4)cnn3C)C2)C1 ZINC000972406931 736134757 /nfs/dbraw/zinc/13/47/57/736134757.db2.gz IRKHURHOYCGPBF-SFHVURJKSA-N 1 2 328.416 0.848 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)c(C)cc3=O)C2)C1 ZINC000972419097 736159050 /nfs/dbraw/zinc/15/90/50/736159050.db2.gz AOPQFEATDCRUBC-IBGZPJMESA-N 1 2 343.427 0.634 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)c(C)cc3=O)C2)C1 ZINC000972419097 736159054 /nfs/dbraw/zinc/15/90/54/736159054.db2.gz AOPQFEATDCRUBC-IBGZPJMESA-N 1 2 343.427 0.634 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3nc(CC)c[nH]3)C2)C1 ZINC000972420513 736163997 /nfs/dbraw/zinc/16/39/97/736163997.db2.gz XSBWYRTWYPWIDF-GOSISDBHSA-N 1 2 330.432 0.841 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3nc(CC)c[nH]3)C2)C1 ZINC000972420513 736164000 /nfs/dbraw/zinc/16/40/00/736164000.db2.gz XSBWYRTWYPWIDF-GOSISDBHSA-N 1 2 330.432 0.841 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(N(C)C)nc3)C2)C1 ZINC000972442867 736207909 /nfs/dbraw/zinc/20/79/09/736207909.db2.gz AUDXGIFUSDFOJU-GOSISDBHSA-N 1 2 328.416 0.698 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(N(C)C)nc3)C2)C1 ZINC000972442867 736207912 /nfs/dbraw/zinc/20/79/12/736207912.db2.gz AUDXGIFUSDFOJU-GOSISDBHSA-N 1 2 328.416 0.698 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccnc4n[nH]nc43)C2)C1 ZINC000972457388 736249951 /nfs/dbraw/zinc/24/99/51/736249951.db2.gz CHFBHJLKJJELRE-MRXNPFEDSA-N 1 2 328.376 0.456 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccnc4n[nH]nc43)C2)C1 ZINC000972457388 736249955 /nfs/dbraw/zinc/24/99/55/736249955.db2.gz CHFBHJLKJJELRE-MRXNPFEDSA-N 1 2 328.376 0.456 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4c(c3)ncn4C)C2)C1 ZINC000972493844 736388747 /nfs/dbraw/zinc/38/87/47/736388747.db2.gz JSWBGIJEJRFWRR-SFHVURJKSA-N 1 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ZINC001023296632 736656066 /nfs/dbraw/zinc/65/60/66/736656066.db2.gz ZGYDPXKZHZBVFH-GFCCVEGCSA-N 1 2 327.392 0.955 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ncn(C(C)(C)C)n3)C2)C1 ZINC000972552605 736707531 /nfs/dbraw/zinc/70/75/31/736707531.db2.gz PTLWVZGBWDVIGE-GOSISDBHSA-N 1 2 345.447 0.973 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ncn(C(C)(C)C)n3)C2)C1 ZINC000972552605 736707534 /nfs/dbraw/zinc/70/75/34/736707534.db2.gz PTLWVZGBWDVIGE-GOSISDBHSA-N 1 2 345.447 0.973 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nnnn4CC3)C2)C1 ZINC000972563476 736801978 /nfs/dbraw/zinc/80/19/78/736801978.db2.gz WGTMLGSXRTWGSU-WMLDXEAASA-N 1 2 346.435 0.115 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nnnn4CC3)C2)C1 ZINC000972563476 736801981 /nfs/dbraw/zinc/80/19/81/736801981.db2.gz WGTMLGSXRTWGSU-WMLDXEAASA-N 1 2 346.435 0.115 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)nn(C)c3OC)C2)C1 ZINC000972579024 736919987 /nfs/dbraw/zinc/91/99/87/736919987.db2.gz WLPFKDDGNXIHMW-KRWDZBQOSA-N 1 2 334.420 0.840 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c(C)nn(C)c3OC)C2)C1 ZINC000972579024 736919991 /nfs/dbraw/zinc/91/99/91/736919991.db2.gz WLPFKDDGNXIHMW-KRWDZBQOSA-N 1 2 334.420 0.840 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4nncn4c3)C2)C1 ZINC000972592407 737012963 /nfs/dbraw/zinc/01/29/63/737012963.db2.gz JJVYTMASRBYIGM-SFHVURJKSA-N 1 2 339.399 0.670 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4nncn4c3)C2)C1 ZINC000972592407 737012966 /nfs/dbraw/zinc/01/29/66/737012966.db2.gz JJVYTMASRBYIGM-SFHVURJKSA-N 1 2 339.399 0.670 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)c1 ZINC000981971818 751385933 /nfs/dbraw/zinc/38/59/33/751385933.db2.gz DBOKWWCREREAQJ-CABCVRRESA-N 1 2 344.390 0.853 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)c1 ZINC000981971818 751385937 /nfs/dbraw/zinc/38/59/37/751385937.db2.gz DBOKWWCREREAQJ-CABCVRRESA-N 1 2 344.390 0.853 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(OC)nc3)C2)C1 ZINC000972624388 737136648 /nfs/dbraw/zinc/13/66/48/737136648.db2.gz OKGABRKMWIPSLW-KRWDZBQOSA-N 1 2 330.388 0.425 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(OC)nc3)C2)C1 ZINC000972624388 737136649 /nfs/dbraw/zinc/13/66/49/737136649.db2.gz OKGABRKMWIPSLW-KRWDZBQOSA-N 1 2 330.388 0.425 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 ZINC000972659560 737270754 /nfs/dbraw/zinc/27/07/54/737270754.db2.gz NXSMFICVJWTSEO-HKUYNNGSSA-N 1 2 342.395 0.763 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 ZINC000972659560 737270756 /nfs/dbraw/zinc/27/07/56/737270756.db2.gz NXSMFICVJWTSEO-HKUYNNGSSA-N 1 2 342.395 0.763 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CCN(C(C)=O)CC3)C2)C1 ZINC000972670217 737320265 /nfs/dbraw/zinc/32/02/65/737320265.db2.gz ZMPXKRQSKOHOPI-GOSISDBHSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CCN(C(C)=O)CC3)C2)C1 ZINC000972670217 737320268 /nfs/dbraw/zinc/32/02/68/737320268.db2.gz ZMPXKRQSKOHOPI-GOSISDBHSA-N 1 2 333.432 0.181 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC)N3CCCC3=O)C2)C1 ZINC000972675379 737346431 /nfs/dbraw/zinc/34/64/31/737346431.db2.gz XLBYMJDKWRVCEB-CRAIPNDOSA-N 1 2 335.448 0.877 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC)N3CCCC3=O)C2)C1 ZINC000972675379 737346433 /nfs/dbraw/zinc/34/64/33/737346433.db2.gz XLBYMJDKWRVCEB-CRAIPNDOSA-N 1 2 335.448 0.877 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)N3CCCCC3=O)C2)C1 ZINC000972682952 737372308 /nfs/dbraw/zinc/37/23/08/737372308.db2.gz ARFBPWNYAZMMLE-VQIMIIECSA-N 1 2 347.459 0.714 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)N3CCCCC3=O)C2)C1 ZINC000972682952 737372313 /nfs/dbraw/zinc/37/23/13/737372313.db2.gz ARFBPWNYAZMMLE-VQIMIIECSA-N 1 2 347.459 0.714 20 30 ECEDLO C[NH+](C)[C@@H](C(=O)N1CC[C@@]2(C1)CN(CC#N)CCO2)c1cccnc1 ZINC000972695470 737405221 /nfs/dbraw/zinc/40/52/21/737405221.db2.gz TVGDDFYIBXINRY-AEFFLSMTSA-N 1 2 343.431 0.511 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)nc3)C2)C1 ZINC000972700396 737458126 /nfs/dbraw/zinc/45/81/26/737458126.db2.gz XLMZEYRGRSEDRV-KRWDZBQOSA-N 1 2 330.388 0.283 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)nc3)C2)C1 ZINC000972700396 737458127 /nfs/dbraw/zinc/45/81/27/737458127.db2.gz XLMZEYRGRSEDRV-KRWDZBQOSA-N 1 2 330.388 0.283 20 30 ECEDLO CN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CC#Cc2ccccc2)CC1=O ZINC001038308412 738176329 /nfs/dbraw/zinc/17/63/29/738176329.db2.gz CWERAIFUHSNCGU-DLBZAZTESA-N 1 2 325.412 0.707 20 30 ECEDLO CN1C[C@@H](C(=O)NC[C@H]2CC[N@H+]2CC#Cc2ccccc2)CC1=O ZINC001038308412 738176333 /nfs/dbraw/zinc/17/63/33/738176333.db2.gz CWERAIFUHSNCGU-DLBZAZTESA-N 1 2 325.412 0.707 20 30 ECEDLO C=CCCC(=O)N1CCO[C@@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC001111939072 738256609 /nfs/dbraw/zinc/25/66/09/738256609.db2.gz PHZVNAQJFIGZFE-LBPRGKRZSA-N 1 2 330.392 0.969 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OCC3CC3)nc2)C1 ZINC001078229657 782528600 /nfs/dbraw/zinc/52/86/00/782528600.db2.gz RSQJHXRTPZYCGN-HZPDHXFCSA-N 1 2 329.400 0.669 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(OCC3CC3)nc2)C1 ZINC001078229657 782528608 /nfs/dbraw/zinc/52/86/08/782528608.db2.gz RSQJHXRTPZYCGN-HZPDHXFCSA-N 1 2 329.400 0.669 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000973330981 739097164 /nfs/dbraw/zinc/09/71/64/739097164.db2.gz WYZSANYWWXIIHO-GBOPCIDUSA-N 1 2 332.404 0.697 20 30 ECEDLO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@H]1CCC[N@H+](Cc2nnnn2C)C1 ZINC001025389934 739353362 /nfs/dbraw/zinc/35/33/62/739353362.db2.gz GRQNGSUPSNFFSK-NEPJUHHUSA-N 1 2 342.407 0.440 20 30 ECEDLO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@H]1CCC[N@@H+](Cc2nnnn2C)C1 ZINC001025389934 739353363 /nfs/dbraw/zinc/35/33/63/739353363.db2.gz GRQNGSUPSNFFSK-NEPJUHHUSA-N 1 2 342.407 0.440 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)[C@@H](C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001104683668 739479775 /nfs/dbraw/zinc/47/97/75/739479775.db2.gz LYJNMYGKVSQHHK-RYUDHWBXSA-N 1 2 334.424 0.543 20 30 ECEDLO N#Cc1nccc(N2CCC3(C[C@@H]3NC(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001058638239 739636323 /nfs/dbraw/zinc/63/63/23/739636323.db2.gz PYKTVUIFJLVGCB-ZDUSSCGKSA-N 1 2 337.387 0.720 20 30 ECEDLO N#Cc1cncc(N2CCC3(C[C@H]3NC(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC001058639604 739653350 /nfs/dbraw/zinc/65/33/50/739653350.db2.gz LXMQDBGMACNZHR-CYBMUJFWSA-N 1 2 337.387 0.789 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2O)C1 ZINC001025542931 739698289 /nfs/dbraw/zinc/69/82/89/739698289.db2.gz UVRHXEFTAOBABD-ZIAGYGMSSA-N 1 2 332.404 0.305 20 30 ECEDLO C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001058663601 740031678 /nfs/dbraw/zinc/03/16/78/740031678.db2.gz XSZIRPFPOMEMKX-NSHDSACASA-N 1 2 329.360 0.273 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cnc(C)cn3)C2)C1=O ZINC001006632776 751599315 /nfs/dbraw/zinc/59/93/15/751599315.db2.gz CPFIRVVNCKNDNK-GDBMZVCRSA-N 1 2 343.431 0.766 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cnc(C)cn3)C2)C1=O ZINC001006632776 751599317 /nfs/dbraw/zinc/59/93/17/751599317.db2.gz CPFIRVVNCKNDNK-GDBMZVCRSA-N 1 2 343.431 0.766 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[N@@H+](Cc3cnc(C)nc3)CC2)nn1 ZINC000982113317 751606433 /nfs/dbraw/zinc/60/64/33/751606433.db2.gz ILERBBAXXIUVBE-UHFFFAOYSA-N 1 2 341.419 0.911 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[N@H+](Cc3cnc(C)nc3)CC2)nn1 ZINC000982113317 751606436 /nfs/dbraw/zinc/60/64/36/751606436.db2.gz ILERBBAXXIUVBE-UHFFFAOYSA-N 1 2 341.419 0.911 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000974270587 741206091 /nfs/dbraw/zinc/20/60/91/741206091.db2.gz WSIJIWDFQJGHEA-RZTQCUEVSA-N 1 2 344.415 0.868 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000974270587 741206096 /nfs/dbraw/zinc/20/60/96/741206096.db2.gz WSIJIWDFQJGHEA-RZTQCUEVSA-N 1 2 344.415 0.868 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)CCC)C2)nn1 ZINC001105136937 741408832 /nfs/dbraw/zinc/40/88/32/741408832.db2.gz MYCPFXLXIZTXJE-LBPRGKRZSA-N 1 2 334.424 0.242 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccnc3)C2)nn1 ZINC001105136885 741409037 /nfs/dbraw/zinc/40/90/37/741409037.db2.gz KNQSGPWFLUGMOW-UHFFFAOYSA-N 1 2 340.387 0.110 20 30 ECEDLO CCOCCCC(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105171295 741438951 /nfs/dbraw/zinc/43/89/51/741438951.db2.gz GTVRVAWZHUBXKU-UHFFFAOYSA-N 1 2 349.435 0.218 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C3=CCCC3)C2)nn1 ZINC001105211590 741481142 /nfs/dbraw/zinc/48/11/42/741481142.db2.gz SGUHVDSCFNRWAQ-UHFFFAOYSA-N 1 2 344.419 0.164 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@@H](Nc1nc(N(C)C)nc(C)[nH+]1)C(C)C ZINC001105227014 741512808 /nfs/dbraw/zinc/51/28/08/741512808.db2.gz VYUINEATCHEWOB-TZMCWYRMSA-N 1 2 348.451 0.837 20 30 ECEDLO CC/C(C)=C\C(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105235354 741526116 /nfs/dbraw/zinc/52/61/16/741526116.db2.gz AVXJXRRDNUMNRC-ZROIWOOFSA-N 1 2 331.420 0.757 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCc4n[nH]cc43)C2)nn1 ZINC001105240679 741534817 /nfs/dbraw/zinc/53/48/17/741534817.db2.gz XVOVTDCGLWDRPF-CQSZACIVSA-N 1 2 339.403 0.227 20 30 ECEDLO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cccc4n[nH]nc43)C2)nn1 ZINC001105247221 741547880 /nfs/dbraw/zinc/54/78/80/741547880.db2.gz VBWPIKYRIONZKX-UHFFFAOYSA-N 1 2 338.375 0.522 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccsn3)C2)nn1 ZINC001105265618 741601451 /nfs/dbraw/zinc/60/14/51/741601451.db2.gz DWRCNRBJJKICGL-UHFFFAOYSA-N 1 2 346.416 0.171 20 30 ECEDLO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)Cn3cncc3C)C2)nn1 ZINC001105283910 741642388 /nfs/dbraw/zinc/64/23/88/741642388.db2.gz ZATUHIOIMUHGGV-UHFFFAOYSA-N 1 2 329.408 0.532 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)C3(C)CCCC3)C2)nn1 ZINC001105294833 741666721 /nfs/dbraw/zinc/66/67/21/741666721.db2.gz JBMVTALAPQSFIN-UHFFFAOYSA-N 1 2 345.447 0.981 20 30 ECEDLO C=CCCC1(C(=O)N(CCO)CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001058728483 741692600 /nfs/dbraw/zinc/69/26/00/741692600.db2.gz VERQNBKIIGLSND-UHFFFAOYSA-N 1 2 334.420 0.636 20 30 ECEDLO CC#CCCCC(=O)N1CC(n2cc(C[NH2+][C@H](C)C(=O)NC)nn2)C1 ZINC001105308009 741709207 /nfs/dbraw/zinc/70/92/07/741709207.db2.gz GYOITBOANYWMNJ-CYBMUJFWSA-N 1 2 346.435 0.079 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc[nH]c3CCC)C2)nn1 ZINC001105308684 741710774 /nfs/dbraw/zinc/71/07/74/741710774.db2.gz SEJHXGBTGNEENG-UHFFFAOYSA-N 1 2 326.404 0.979 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)c3conc3C)C2)nn1 ZINC001105317191 741751704 /nfs/dbraw/zinc/75/17/04/741751704.db2.gz MOBAEJZTWKNUOR-UHFFFAOYSA-N 1 2 344.375 0.011 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3conc3CC)C2)nn1 ZINC001105322187 741778985 /nfs/dbraw/zinc/77/89/85/741778985.db2.gz CVKARUSHWDXRJB-UHFFFAOYSA-N 1 2 328.376 0.639 20 30 ECEDLO C=CCCC1(C(=O)N2CC(n3cc(C[NH2+]CC(=O)NC)nn3)C2)CC1 ZINC001105322214 741779686 /nfs/dbraw/zinc/77/96/86/741779686.db2.gz FDSLXJOESCIWQR-UHFFFAOYSA-N 1 2 346.435 0.243 20 30 ECEDLO CCCC1(C(=O)N2CC(n3cc(C[NH2+]CC#CCOC)nn3)C2)CC1 ZINC001105324013 741790152 /nfs/dbraw/zinc/79/01/52/741790152.db2.gz OHKOIYLSEDKHME-UHFFFAOYSA-N 1 2 345.447 0.981 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2csnn2)CC1(C)C ZINC000974683651 742012129 /nfs/dbraw/zinc/01/21/29/742012129.db2.gz CFNDOVBJOVZQDW-GJZGRUSLSA-N 1 2 347.488 0.962 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2csnn2)CC1(C)C ZINC000974683651 742012133 /nfs/dbraw/zinc/01/21/33/742012133.db2.gz CFNDOVBJOVZQDW-GJZGRUSLSA-N 1 2 347.488 0.962 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cnsn2)C1 ZINC001026894047 742039141 /nfs/dbraw/zinc/03/91/41/742039141.db2.gz UQLWTKDUQYQCJB-ZFWWWQNUSA-N 1 2 333.461 0.574 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC(n2cc(C[NH2+][C@@H](CC)C(N)=O)nn2)C1 ZINC001105335372 742136363 /nfs/dbraw/zinc/13/63/63/742136363.db2.gz YJSDKYLDDMNMFL-AWEZNQCLSA-N 1 2 348.451 0.617 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)c3cnco3)C(C)(C)C2)C1=O ZINC000974897579 742330336 /nfs/dbraw/zinc/33/03/36/742330336.db2.gz VBFCGEPHEFFFPO-JSGCOSHPSA-N 1 2 332.404 0.902 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)c3cnco3)C(C)(C)C2)C1=O ZINC000974897579 742330338 /nfs/dbraw/zinc/33/03/38/742330338.db2.gz VBFCGEPHEFFFPO-JSGCOSHPSA-N 1 2 332.404 0.902 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)[C@@H]3C2)c1 ZINC000974920151 742359782 /nfs/dbraw/zinc/35/97/82/742359782.db2.gz YGHSIOVVHIAFGD-TZMCWYRMSA-N 1 2 338.371 0.525 20 30 ECEDLO CC1(C)CN(CC#N)C[C@@H]1NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000975099505 742497340 /nfs/dbraw/zinc/49/73/40/742497340.db2.gz GSBKCKAJWKUCIT-HNNXBMFYSA-N 1 2 334.464 0.982 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)nc1 ZINC000975418896 742828214 /nfs/dbraw/zinc/82/82/14/742828214.db2.gz PYYJVZYZEQAXER-RHSMWYFYSA-N 1 2 349.394 0.702 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000975424858 742853418 /nfs/dbraw/zinc/85/34/18/742853418.db2.gz UHNCSUUKFXZDRZ-MIGQKNRLSA-N 1 2 344.415 0.603 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)nc1 ZINC000997088225 743216137 /nfs/dbraw/zinc/21/61/37/743216137.db2.gz OMAJYIYAVVVSJY-UHFFFAOYSA-N 1 2 337.383 0.704 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)nc1 ZINC000997092440 743224464 /nfs/dbraw/zinc/22/44/64/743224464.db2.gz GOFGHZYAHILUEY-AWEZNQCLSA-N 1 2 349.394 0.847 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)c2[nH]c(C)nc2C)C1=O ZINC001038703726 743227173 /nfs/dbraw/zinc/22/71/73/743227173.db2.gz GLEIHCSJRMITGS-UONOGXRCSA-N 1 2 331.420 0.618 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)c2[nH]c(C)nc2C)C1=O ZINC001038703726 743227180 /nfs/dbraw/zinc/22/71/80/743227180.db2.gz GLEIHCSJRMITGS-UONOGXRCSA-N 1 2 331.420 0.618 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)CCc3[nH+]ccn3C)C2)cn1 ZINC000997094170 743227200 /nfs/dbraw/zinc/22/72/00/743227200.db2.gz VMWQCXWSLNRTAN-UHFFFAOYSA-N 1 2 337.383 0.370 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)cn1 ZINC000997102305 743238005 /nfs/dbraw/zinc/23/80/05/743238005.db2.gz PIGZSEABCMJGLV-AWEZNQCLSA-N 1 2 349.394 0.463 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CCN(C(=O)[C@@H](C)C#N)[C@H]2C1 ZINC000975837801 743339894 /nfs/dbraw/zinc/33/98/94/743339894.db2.gz JRHSFMPVUDEXGN-WHOFXGATSA-N 1 2 329.404 0.870 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000997242281 743396978 /nfs/dbraw/zinc/39/69/78/743396978.db2.gz DXQOOMRCMXMIHV-YOEHRIQHSA-N 1 2 346.431 0.959 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC000975976061 743424961 /nfs/dbraw/zinc/42/49/61/743424961.db2.gz XKDYYSKQLJAZDB-IHRRRGAJSA-N 1 2 329.404 0.951 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)COCC(F)F)C2)nn1 ZINC001098694588 743445581 /nfs/dbraw/zinc/44/55/81/743445581.db2.gz FBTCRGZIEDWTRK-LBPRGKRZSA-N 1 2 327.335 0.056 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)CCc3[nH+]ccn3C)C2)cc1 ZINC000997330697 743496522 /nfs/dbraw/zinc/49/65/22/743496522.db2.gz FEIKRBDLPDYBFP-UHFFFAOYSA-N 1 2 336.395 0.975 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001059867938 751831381 /nfs/dbraw/zinc/83/13/81/751831381.db2.gz ZGXURFDXRQGEQW-XHSDSOJGSA-N 1 2 346.431 0.829 20 30 ECEDLO CN(C)c1noc(C[NH2+][C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000998963678 744434348 /nfs/dbraw/zinc/43/43/48/744434348.db2.gz YXWGPZLCJRQKPX-LBPRGKRZSA-N 1 2 343.391 0.730 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001006904882 751962121 /nfs/dbraw/zinc/96/21/21/751962121.db2.gz OAWXFZIVRFTQFI-BMFZPTHFSA-N 1 2 346.431 0.827 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001006904885 751962369 /nfs/dbraw/zinc/96/23/69/751962369.db2.gz OAWXFZIVRFTQFI-IMJJTQAJSA-N 1 2 346.431 0.827 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](CC(=O)NC)CC1(C)C ZINC000977510931 745129334 /nfs/dbraw/zinc/12/93/34/745129334.db2.gz GZDGNSMVTPHDEH-CQSZACIVSA-N 1 2 344.415 0.280 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](CC(=O)NC)CC1(C)C ZINC000977510931 745129337 /nfs/dbraw/zinc/12/93/37/745129337.db2.gz GZDGNSMVTPHDEH-CQSZACIVSA-N 1 2 344.415 0.280 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(C#N)c[nH]1 ZINC000977521217 745167404 /nfs/dbraw/zinc/16/74/04/745167404.db2.gz QSUROCWXMQPGJA-CYBMUJFWSA-N 1 2 340.387 0.834 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001000017278 745187552 /nfs/dbraw/zinc/18/75/52/745187552.db2.gz MQYIYYBSQVKZSP-CABCVRRESA-N 1 2 345.399 0.551 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001000023309 745194732 /nfs/dbraw/zinc/19/47/32/745194732.db2.gz YJJVXKVSNJORFD-KQTLUZQSSA-N 1 2 344.415 0.442 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H](n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001098698540 745326174 /nfs/dbraw/zinc/32/61/74/745326174.db2.gz VXLBUKSSJOMZGN-WCQYABFASA-N 1 2 334.424 0.227 20 30 ECEDLO C=CCOc1cccnc1C(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001000198504 745335373 /nfs/dbraw/zinc/33/53/73/745335373.db2.gz MJZNXUVYRQCRSV-UHFFFAOYSA-N 1 2 341.371 0.553 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)c[nH]1 ZINC001083414585 745546932 /nfs/dbraw/zinc/54/69/32/745546932.db2.gz LCICBKGWOVVMPB-CABCVRRESA-N 1 2 341.396 0.795 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)c[nH]1 ZINC001083414585 745546938 /nfs/dbraw/zinc/54/69/38/745546938.db2.gz LCICBKGWOVVMPB-CABCVRRESA-N 1 2 341.396 0.795 20 30 ECEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001000638076 745653013 /nfs/dbraw/zinc/65/30/13/745653013.db2.gz CEVCKHHRZUQNQR-NSHDSACASA-N 1 2 344.209 0.752 20 30 ECEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001000638076 745653016 /nfs/dbraw/zinc/65/30/16/745653016.db2.gz CEVCKHHRZUQNQR-NSHDSACASA-N 1 2 344.209 0.752 20 30 ECEDLO COCCN(CCNC(=O)Cc1c[nH]c[nH+]1)c1nc(C)ccc1C#N ZINC001126522957 745715752 /nfs/dbraw/zinc/71/57/52/745715752.db2.gz HVROSQVTUZQQRS-UHFFFAOYSA-N 1 2 342.403 0.797 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001075807463 745814264 /nfs/dbraw/zinc/81/42/64/745814264.db2.gz CVCOMSWFOOLTMG-SVGFKBNWSA-N 1 2 345.447 0.829 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001075807463 745814269 /nfs/dbraw/zinc/81/42/69/745814269.db2.gz CVCOMSWFOOLTMG-SVGFKBNWSA-N 1 2 345.447 0.829 20 30 ECEDLO C[C@H](c1nnnn1C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC000978027077 745827084 /nfs/dbraw/zinc/82/70/84/745827084.db2.gz GMDSJNKLWGZYMZ-JXJLXUTGSA-N 1 2 340.391 0.079 20 30 ECEDLO C[C@H](c1nnnn1C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC000978027077 745827090 /nfs/dbraw/zinc/82/70/90/745827090.db2.gz GMDSJNKLWGZYMZ-JXJLXUTGSA-N 1 2 340.391 0.079 20 30 ECEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(Cc3ccccc3C#N)C2)C1 ZINC001007000529 752038098 /nfs/dbraw/zinc/03/80/98/752038098.db2.gz JIHCFDBDKHYTKT-ROUUACIJSA-N 1 2 342.443 0.969 20 30 ECEDLO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCN(Cc3ccccc3C#N)C2)C1 ZINC001007000529 752038107 /nfs/dbraw/zinc/03/81/07/752038107.db2.gz JIHCFDBDKHYTKT-ROUUACIJSA-N 1 2 342.443 0.969 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2CCC(=O)NC2)s1 ZINC001038447354 746046221 /nfs/dbraw/zinc/04/62/21/746046221.db2.gz DMOGQGQYPQEUFF-NWDGAFQWSA-N 1 2 332.429 0.836 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2CCC(=O)NC2)s1 ZINC001038447354 746046228 /nfs/dbraw/zinc/04/62/28/746046228.db2.gz DMOGQGQYPQEUFF-NWDGAFQWSA-N 1 2 332.429 0.836 20 30 ECEDLO CC#CC[N@H+]1CC[C@H](NC(=O)C2CCS(=O)(=O)CC2)[C@H]1CC ZINC001087747854 746278071 /nfs/dbraw/zinc/27/80/71/746278071.db2.gz ZMPIENARGJZZEL-LSDHHAIUSA-N 1 2 326.462 0.804 20 30 ECEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)C2CCS(=O)(=O)CC2)[C@H]1CC ZINC001087747854 746278073 /nfs/dbraw/zinc/27/80/73/746278073.db2.gz ZMPIENARGJZZEL-LSDHHAIUSA-N 1 2 326.462 0.804 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1 ZINC001001347339 746295695 /nfs/dbraw/zinc/29/56/95/746295695.db2.gz MTTKIBILLXDRMT-CHWSQXEVSA-N 1 2 338.371 0.601 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1 ZINC001001347339 746295698 /nfs/dbraw/zinc/29/56/98/746295698.db2.gz MTTKIBILLXDRMT-CHWSQXEVSA-N 1 2 338.371 0.601 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000978423345 746323406 /nfs/dbraw/zinc/32/34/06/746323406.db2.gz YBCPSBYXMSXOPI-ZNMIVQPWSA-N 1 2 332.404 0.603 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](C)OC)[C@H](OC)C1 ZINC001211949217 752080255 /nfs/dbraw/zinc/08/02/55/752080255.db2.gz DWBSDSJEYIGVSP-RRFJBIMHSA-N 1 2 339.436 0.037 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)OC)[C@H](OC)C1 ZINC001211949217 752080262 /nfs/dbraw/zinc/08/02/62/752080262.db2.gz DWBSDSJEYIGVSP-RRFJBIMHSA-N 1 2 339.436 0.037 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCS(C)(=O)=O)[C@@H]2CC)cn1 ZINC001087802570 746363620 /nfs/dbraw/zinc/36/36/20/746363620.db2.gz XTPFKHXRMKNSBW-JKSUJKDBSA-N 1 2 349.456 0.690 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCS(C)(=O)=O)[C@@H]2CC)cn1 ZINC001087802570 746363625 /nfs/dbraw/zinc/36/36/25/746363625.db2.gz XTPFKHXRMKNSBW-JKSUJKDBSA-N 1 2 349.456 0.690 20 30 ECEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2COCCN2C(C)=O)CC1 ZINC001001461656 746401164 /nfs/dbraw/zinc/40/11/64/746401164.db2.gz MRALCTOIYKUMIR-HNNXBMFYSA-N 1 2 341.839 0.735 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2COCCN2C(C)=O)CC1 ZINC001001461656 746401166 /nfs/dbraw/zinc/40/11/66/746401166.db2.gz MRALCTOIYKUMIR-HNNXBMFYSA-N 1 2 341.839 0.735 20 30 ECEDLO C=CCCCC(=O)N1CC[C@H](n2cc(C[NH2+][C@H](CC)C(N)=O)nn2)C1 ZINC001098710572 746690306 /nfs/dbraw/zinc/69/03/06/746690306.db2.gz GSMHGWNZXJLAHB-LSDHHAIUSA-N 1 2 348.451 0.761 20 30 ECEDLO CN(C)c1noc(C[N@@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)n1 ZINC001087962218 746750409 /nfs/dbraw/zinc/75/04/09/746750409.db2.gz DKCRIBNJBLHYPU-CABCVRRESA-N 1 2 343.431 0.829 20 30 ECEDLO CN(C)c1noc(C[N@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)n1 ZINC001087962218 746750412 /nfs/dbraw/zinc/75/04/12/746750412.db2.gz DKCRIBNJBLHYPU-CABCVRRESA-N 1 2 343.431 0.829 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](Cc2ncnn2C)CC1 ZINC001001843227 746764250 /nfs/dbraw/zinc/76/42/50/746764250.db2.gz BZALAWPAALNANP-CABCVRRESA-N 1 2 333.436 0.734 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4ncn[nH]4)[C@@H]3C2)c1 ZINC000978879506 746847228 /nfs/dbraw/zinc/84/72/28/746847228.db2.gz PAAXDZPIAUOKGN-ZSOGYDGISA-N 1 2 340.362 0.923 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4ncn[nH]4)[C@@H]3C2)c1 ZINC000978879506 746847234 /nfs/dbraw/zinc/84/72/34/746847234.db2.gz PAAXDZPIAUOKGN-ZSOGYDGISA-N 1 2 340.362 0.923 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4nc[nH]n4)[C@@H]3C2)c1 ZINC000978879506 746847239 /nfs/dbraw/zinc/84/72/39/746847239.db2.gz PAAXDZPIAUOKGN-ZSOGYDGISA-N 1 2 340.362 0.923 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4nc[nH]n4)[C@@H]3C2)c1 ZINC000978879506 746847243 /nfs/dbraw/zinc/84/72/43/746847243.db2.gz PAAXDZPIAUOKGN-ZSOGYDGISA-N 1 2 340.362 0.923 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CC[C@H](CCNC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC001059428492 746896700 /nfs/dbraw/zinc/89/67/00/746896700.db2.gz XHKBWDTXZOZPFT-LBPRGKRZSA-N 1 2 340.387 0.821 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)/C(C)=C\CC)[C@H](OC)C2)C1=O ZINC001211967609 752133061 /nfs/dbraw/zinc/13/30/61/752133061.db2.gz NSUYWDYPBVXZIE-NGKXZWBQSA-N 1 2 335.448 0.945 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)/C(C)=C\CC)[C@H](OC)C2)C1=O ZINC001211967609 752133065 /nfs/dbraw/zinc/13/30/65/752133065.db2.gz NSUYWDYPBVXZIE-NGKXZWBQSA-N 1 2 335.448 0.945 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ncnn4C)C[C@H]32)cn1 ZINC000979018378 747065615 /nfs/dbraw/zinc/06/56/15/747065615.db2.gz MYVXIOIQTURMNR-PHZGNYQRSA-N 1 2 336.399 0.299 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ncnn4C)C[C@H]32)cn1 ZINC000979018378 747065620 /nfs/dbraw/zinc/06/56/20/747065620.db2.gz MYVXIOIQTURMNR-PHZGNYQRSA-N 1 2 336.399 0.299 20 30 ECEDLO C=CCCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](C)C(=O)NC)nn1 ZINC001029507809 747201438 /nfs/dbraw/zinc/20/14/38/747201438.db2.gz COIUHZSYDLINGZ-MELADBBJSA-N 1 2 346.435 0.278 20 30 ECEDLO C=CCCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)C(=O)NC)nn1 ZINC001029507809 747201442 /nfs/dbraw/zinc/20/14/42/747201442.db2.gz COIUHZSYDLINGZ-MELADBBJSA-N 1 2 346.435 0.278 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](C)C(=O)NC)cn1 ZINC001029558471 747497587 /nfs/dbraw/zinc/49/75/87/747497587.db2.gz HPCGBAWAMVGUFZ-VBNZEHGJSA-N 1 2 326.400 0.486 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)C(=O)NC)cn1 ZINC001029558471 747497590 /nfs/dbraw/zinc/49/75/90/747497590.db2.gz HPCGBAWAMVGUFZ-VBNZEHGJSA-N 1 2 326.400 0.486 20 30 ECEDLO Cc1nnc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)o1 ZINC000979292648 747526905 /nfs/dbraw/zinc/52/69/05/747526905.db2.gz LZUUIYNHOVLWQA-YGRLFVJLSA-N 1 2 344.375 0.597 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1COCCO1 ZINC001027766506 747556815 /nfs/dbraw/zinc/55/68/15/747556815.db2.gz SWNTZDCDDXMJDK-VXGBXAGGSA-N 1 2 333.226 0.891 20 30 ECEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1COCCO1 ZINC001027766506 747556818 /nfs/dbraw/zinc/55/68/18/747556818.db2.gz SWNTZDCDDXMJDK-VXGBXAGGSA-N 1 2 333.226 0.891 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC ZINC001029566060 747594526 /nfs/dbraw/zinc/59/45/26/747594526.db2.gz CECCMQACZQMSJJ-CALCHBBNSA-N 1 2 325.412 0.632 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC ZINC001029566060 747594534 /nfs/dbraw/zinc/59/45/34/747594534.db2.gz CECCMQACZQMSJJ-CALCHBBNSA-N 1 2 325.412 0.632 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1)C(=O)c1ccc(C#N)[nH]1 ZINC001002647471 747613999 /nfs/dbraw/zinc/61/39/99/747613999.db2.gz GRZJQRBZKXJQJF-CQSZACIVSA-N 1 2 340.387 0.846 20 30 ECEDLO N#CCN1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088208812 747750632 /nfs/dbraw/zinc/75/06/32/747750632.db2.gz SGLLEIQRRHXZHT-IXDOHACOSA-N 1 2 332.448 0.401 20 30 ECEDLO Cn1ncnc1C[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001029691413 748081089 /nfs/dbraw/zinc/08/10/89/748081089.db2.gz PBONRTUAKHSFJH-GFCCVEGCSA-N 1 2 327.392 0.609 20 30 ECEDLO Cn1ncnc1C[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001029691413 748081098 /nfs/dbraw/zinc/08/10/98/748081098.db2.gz PBONRTUAKHSFJH-GFCCVEGCSA-N 1 2 327.392 0.609 20 30 ECEDLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 ZINC000979823284 748469960 /nfs/dbraw/zinc/46/99/60/748469960.db2.gz NCNUZEJKYJOLBG-RRFJBIMHSA-N 1 2 326.400 0.719 20 30 ECEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2CCNC2=O)CC1 ZINC001003430024 748546859 /nfs/dbraw/zinc/54/68/59/748546859.db2.gz VJAGMPLNZMEPTK-LLVKDONJSA-N 1 2 330.226 0.612 20 30 ECEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 ZINC001003430444 748547510 /nfs/dbraw/zinc/54/75/10/748547510.db2.gz WODPTQSHMOATCZ-VXGBXAGGSA-N 1 2 344.253 0.987 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001027861046 748796365 /nfs/dbraw/zinc/79/63/65/748796365.db2.gz PXOGSYGAPLDNCT-LSDHHAIUSA-N 1 2 346.362 0.886 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001027861046 748796370 /nfs/dbraw/zinc/79/63/70/748796370.db2.gz PXOGSYGAPLDNCT-LSDHHAIUSA-N 1 2 346.362 0.886 20 30 ECEDLO C=CCn1cc(C(=O)NC2CC[NH+](Cc3nccc(C)n3)CC2)nn1 ZINC001003760021 748866942 /nfs/dbraw/zinc/86/69/42/748866942.db2.gz SMXVJMSYLXXTFQ-UHFFFAOYSA-N 1 2 341.419 0.957 20 30 ECEDLO C=CCCn1cc(C(=O)NC2CC[NH+](Cc3cnnn3C)CC2)nn1 ZINC001003766777 748874549 /nfs/dbraw/zinc/87/45/49/748874549.db2.gz QNQBCYFNPNJLDV-UHFFFAOYSA-N 1 2 344.423 0.377 20 30 ECEDLO N#Cc1cnc(NC[C@H](O)CNC(=O)CCc2[nH]cc[nH+]2)c(F)c1 ZINC001105804233 761917123 /nfs/dbraw/zinc/91/71/23/761917123.db2.gz MKKRMOTZTHCHLH-LLVKDONJSA-N 1 2 332.339 0.337 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001013926797 761920971 /nfs/dbraw/zinc/92/09/71/761920971.db2.gz KGOHFQKPMDCQIN-GWCFXTLKSA-N 1 2 326.360 0.571 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3cnccn3)CC2)CC1 ZINC000985825782 749183650 /nfs/dbraw/zinc/18/36/50/749183650.db2.gz QHYGJZQUQNMUII-UHFFFAOYSA-N 1 2 344.419 0.158 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)C3(CF)CC3)CC2)CC1 ZINC000985826762 749186382 /nfs/dbraw/zinc/18/63/82/749186382.db2.gz FQGORPGEQOYZQU-UHFFFAOYSA-N 1 2 338.427 0.804 20 30 ECEDLO C[C@H]1[C@H]([NH2+]Cc2nc(N(C)C)no2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000986186672 749645044 /nfs/dbraw/zinc/64/50/44/749645044.db2.gz QSLQVJVLGOERJF-CMPLNLGQSA-N 1 2 343.391 0.728 20 30 ECEDLO CC(=O)N1CCO[C@@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004608676 749680193 /nfs/dbraw/zinc/68/01/93/749680193.db2.gz AUDXNQMGIASSQM-DLBZAZTESA-N 1 2 348.447 0.460 20 30 ECEDLO CC(=O)N1CCO[C@@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004608676 749680198 /nfs/dbraw/zinc/68/01/98/749680198.db2.gz AUDXNQMGIASSQM-DLBZAZTESA-N 1 2 348.447 0.460 20 30 ECEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 ZINC001004621090 749699199 /nfs/dbraw/zinc/69/91/99/749699199.db2.gz BPXIDVSOUSMZSU-GJZGRUSLSA-N 1 2 333.436 0.756 20 30 ECEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C(N)=O)CC1 ZINC001004621090 749699200 /nfs/dbraw/zinc/69/92/00/749699200.db2.gz BPXIDVSOUSMZSU-GJZGRUSLSA-N 1 2 333.436 0.756 20 30 ECEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001004633887 749712729 /nfs/dbraw/zinc/71/27/29/749712729.db2.gz KSCLOJRXJLOLLQ-KGLIPLIRSA-N 1 2 332.404 0.266 20 30 ECEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001004633887 749712735 /nfs/dbraw/zinc/71/27/35/749712735.db2.gz KSCLOJRXJLOLLQ-KGLIPLIRSA-N 1 2 332.404 0.266 20 30 ECEDLO C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001004738381 749802098 /nfs/dbraw/zinc/80/20/98/749802098.db2.gz CNZWWJDXTZSJEE-WFASDCNBSA-N 1 2 340.387 0.750 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001149137337 749869888 /nfs/dbraw/zinc/86/98/88/749869888.db2.gz OBIDNVRLIYTUFF-JKSUJKDBSA-N 1 2 333.432 0.299 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001149137337 749869893 /nfs/dbraw/zinc/86/98/93/749869893.db2.gz OBIDNVRLIYTUFF-JKSUJKDBSA-N 1 2 333.432 0.299 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](C)OCC3CC3)C2)nn1 ZINC001098633478 749955973 /nfs/dbraw/zinc/95/59/73/749955973.db2.gz LGJIYLMUDKJGOS-CZUORRHYSA-N 1 2 331.420 0.589 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(C(=O)Cn3cnnn3)CC2)c1 ZINC000980676945 749961939 /nfs/dbraw/zinc/96/19/39/749961939.db2.gz CHLLRFLMDSELTA-UHFFFAOYSA-N 1 2 343.366 0.418 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C(=O)Cn3cnnn3)CC2)c1 ZINC000980676945 749961945 /nfs/dbraw/zinc/96/19/45/749961945.db2.gz CHLLRFLMDSELTA-UHFFFAOYSA-N 1 2 343.366 0.418 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cn3cnnn3)CC2)cc1F ZINC000980677109 749962128 /nfs/dbraw/zinc/96/21/28/749962128.db2.gz GLZYPVLZCZPFDL-UHFFFAOYSA-N 1 2 343.366 0.418 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cn3cnnn3)CC2)cc1F ZINC000980677109 749962135 /nfs/dbraw/zinc/96/21/35/749962135.db2.gz GLZYPVLZCZPFDL-UHFFFAOYSA-N 1 2 343.366 0.418 20 30 ECEDLO CC#CC[NH+]1CCC2(CC1)CN(C(=O)C1=NC(=O)N(C)C1)C[C@@H](C)O2 ZINC001098633498 749980075 /nfs/dbraw/zinc/98/00/75/749980075.db2.gz IKCLWMYHFBZOLD-CQSZACIVSA-N 1 2 346.431 0.845 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC(C[N@H+](C)Cc2nnnn2C2CC2)CC1 ZINC001029946256 750025232 /nfs/dbraw/zinc/02/52/32/750025232.db2.gz JBWGCGRCWZDKRC-LBPRGKRZSA-N 1 2 331.424 0.838 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC(C[N@@H+](C)Cc2nnnn2C2CC2)CC1 ZINC001029946256 750025239 /nfs/dbraw/zinc/02/52/39/750025239.db2.gz JBWGCGRCWZDKRC-LBPRGKRZSA-N 1 2 331.424 0.838 20 30 ECEDLO CN(CCN(C)c1ccncc1C#N)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001105434041 750081510 /nfs/dbraw/zinc/08/15/10/750081510.db2.gz GUQROYBYYCDNSA-UHFFFAOYSA-N 1 2 345.447 0.959 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3nc(C4CC4)oc3C)C2)nn1 ZINC001105352068 750466424 /nfs/dbraw/zinc/46/64/24/750466424.db2.gz OPVGCMIGPCETGT-UHFFFAOYSA-N 1 2 340.387 0.872 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnoc3C3CC3)C2)nn1 ZINC001105354597 750486502 /nfs/dbraw/zinc/48/65/02/750486502.db2.gz PLDVGHCTTUCDGO-UHFFFAOYSA-N 1 2 326.360 0.563 20 30 ECEDLO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001005864777 750744207 /nfs/dbraw/zinc/74/42/07/750744207.db2.gz YHTLWGSQKKBJGE-LLVKDONJSA-N 1 2 340.387 0.439 20 30 ECEDLO CN1C[C@H](C(=O)N2CCC[N@H+](CC#Cc3ccccc3)CC2)NC1=O ZINC000981751844 751054717 /nfs/dbraw/zinc/05/47/17/751054717.db2.gz ZAONAVSPJJWOBU-QGZVFWFLSA-N 1 2 340.427 0.596 20 30 ECEDLO CN1C[C@H](C(=O)N2CCC[N@@H+](CC#Cc3ccccc3)CC2)NC1=O ZINC000981751844 751054721 /nfs/dbraw/zinc/05/47/21/751054721.db2.gz ZAONAVSPJJWOBU-QGZVFWFLSA-N 1 2 340.427 0.596 20 30 ECEDLO C#CC[NH+]1CCC(N(C)C(=O)C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001006251489 751161561 /nfs/dbraw/zinc/16/15/61/751161561.db2.gz IRNRYMPGMPPIDR-CQSZACIVSA-N 1 2 326.462 0.757 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cc(C)[nH]n2)C1 ZINC001006322388 751244852 /nfs/dbraw/zinc/24/48/52/751244852.db2.gz UPRXCHOQSAOBHV-BBRMVZONSA-N 1 2 343.431 0.392 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2cc(C)[nH]n2)C1 ZINC001006322388 751244854 /nfs/dbraw/zinc/24/48/54/751244854.db2.gz UPRXCHOQSAOBHV-BBRMVZONSA-N 1 2 343.431 0.392 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cc(C)[nH]n2)C1 ZINC001006322392 751244872 /nfs/dbraw/zinc/24/48/72/751244872.db2.gz UPRXCHOQSAOBHV-CJNGLKHVSA-N 1 2 343.431 0.392 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2cc(C)[nH]n2)C1 ZINC001006322392 751244873 /nfs/dbraw/zinc/24/48/73/751244873.db2.gz UPRXCHOQSAOBHV-CJNGLKHVSA-N 1 2 343.431 0.392 20 30 ECEDLO N#CCN1CCCC2(CN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)C2)C1 ZINC000981914247 751272836 /nfs/dbraw/zinc/27/28/36/751272836.db2.gz DVVXGBBCKXFUFV-KRWDZBQOSA-N 1 2 346.475 0.935 20 30 ECEDLO N#CCN1CCCC2(CN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)C2)C1 ZINC000981914247 751272840 /nfs/dbraw/zinc/27/28/40/751272840.db2.gz DVVXGBBCKXFUFV-KRWDZBQOSA-N 1 2 346.475 0.935 20 30 ECEDLO CO[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212041235 752434152 /nfs/dbraw/zinc/43/41/52/752434152.db2.gz JIQVHIVAPJIBBE-JHJVBQTASA-N 1 2 339.440 0.059 20 30 ECEDLO CO[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212041235 752434160 /nfs/dbraw/zinc/43/41/60/752434160.db2.gz JIQVHIVAPJIBBE-JHJVBQTASA-N 1 2 339.440 0.059 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H](C)[C@@H]3CCCO3)C2)nn1 ZINC001105368161 752468243 /nfs/dbraw/zinc/46/82/43/752468243.db2.gz QRCTYQANNUUMPJ-CJNGLKHVSA-N 1 2 331.420 0.589 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccccc2)[C@H](OC)C1 ZINC001211780219 752710957 /nfs/dbraw/zinc/71/09/57/752710957.db2.gz XQDHMJKGJHHHKG-NUEKZKHPSA-N 1 2 331.416 0.806 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccccc2)[C@H](OC)C1 ZINC001211780219 752710962 /nfs/dbraw/zinc/71/09/62/752710962.db2.gz XQDHMJKGJHHHKG-NUEKZKHPSA-N 1 2 331.416 0.806 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001007669345 752750514 /nfs/dbraw/zinc/75/05/14/752750514.db2.gz TVCNXTRRVQTEOW-CXAGYDPISA-N 1 2 345.403 0.332 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001007669345 752750517 /nfs/dbraw/zinc/75/05/17/752750517.db2.gz TVCNXTRRVQTEOW-CXAGYDPISA-N 1 2 345.403 0.332 20 30 ECEDLO N#Cc1cnc(N[C@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)cn1 ZINC001058995598 752798445 /nfs/dbraw/zinc/79/84/45/752798445.db2.gz OBFFNDDYFQLQJU-STQMWFEESA-N 1 2 337.387 0.820 20 30 ECEDLO COCc1noc(C[N@@H+]2CC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001028491256 752833306 /nfs/dbraw/zinc/83/33/06/752833306.db2.gz VAIHZWAERKFTPG-NSHDSACASA-N 1 2 344.375 0.668 20 30 ECEDLO COCc1noc(C[N@H+]2CC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001028491256 752833313 /nfs/dbraw/zinc/83/33/13/752833313.db2.gz VAIHZWAERKFTPG-NSHDSACASA-N 1 2 344.375 0.668 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@]2(C1)CN(C(=O)CCn1cc[nH+]c1)CCO2 ZINC001007716993 752853640 /nfs/dbraw/zinc/85/36/40/752853640.db2.gz KFADGZSOPDXZPI-WMLDXEAASA-N 1 2 345.403 0.263 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@]2(C1)CN(C(=O)CCc1c[nH]c[nH+]1)CCO2 ZINC001007720138 752857166 /nfs/dbraw/zinc/85/71/66/752857166.db2.gz WOSHHVZPZOXKEE-CXAGYDPISA-N 1 2 345.403 0.332 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@]2(C1)CN(C(=O)CCc1c[nH+]c[nH]1)CCO2 ZINC001007720138 752857179 /nfs/dbraw/zinc/85/71/79/752857179.db2.gz WOSHHVZPZOXKEE-CXAGYDPISA-N 1 2 345.403 0.332 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001007744434 752889284 /nfs/dbraw/zinc/88/92/84/752889284.db2.gz MAXAWAZGJRAHBB-SFHVURJKSA-N 1 2 346.431 0.994 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001007838939 752973694 /nfs/dbraw/zinc/97/36/94/752973694.db2.gz CXKOOCNQCCNEFY-IGCXYCKISA-N 1 2 329.404 0.620 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC001051488730 762187047 /nfs/dbraw/zinc/18/70/47/762187047.db2.gz ROALUCBTMBYCNJ-VXGBXAGGSA-N 1 2 335.408 0.844 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)c1 ZINC001008178996 753428851 /nfs/dbraw/zinc/42/88/51/753428851.db2.gz SJCCVDGVJGSHEL-CABCVRRESA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)c1 ZINC001008178996 753428855 /nfs/dbraw/zinc/42/88/55/753428855.db2.gz SJCCVDGVJGSHEL-CABCVRRESA-N 1 2 344.390 0.914 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2Cc3ccccc32)[C@@H](n2ccnn2)C1 ZINC001070012585 790323158 /nfs/dbraw/zinc/32/31/58/790323158.db2.gz DAXLFMAEAUKEQW-KSZLIROESA-N 1 2 335.411 0.983 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)on1 ZINC001083335078 753591455 /nfs/dbraw/zinc/59/14/55/753591455.db2.gz XXZOLZHMGIWIDB-CABCVRRESA-N 1 2 326.356 0.830 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)on1 ZINC001083335078 753591459 /nfs/dbraw/zinc/59/14/59/753591459.db2.gz XXZOLZHMGIWIDB-CABCVRRESA-N 1 2 326.356 0.830 20 30 ECEDLO Cc1c(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)cnn1C ZINC001083342789 753614527 /nfs/dbraw/zinc/61/45/27/753614527.db2.gz QSEXLYILPIIARO-MSOLQXFVSA-N 1 2 338.411 0.555 20 30 ECEDLO Cc1c(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)cnn1C ZINC001083342789 753614528 /nfs/dbraw/zinc/61/45/28/753614528.db2.gz QSEXLYILPIIARO-MSOLQXFVSA-N 1 2 338.411 0.555 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cncnc3CC)C2)nn1 ZINC001105372686 753680561 /nfs/dbraw/zinc/68/05/61/753680561.db2.gz SHSOWXCOYXFITB-UHFFFAOYSA-N 1 2 325.376 0.050 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3conc3C)C2)C1=O ZINC001008393029 753691198 /nfs/dbraw/zinc/69/11/98/753691198.db2.gz HVBMNNGAQBLACD-DZGCQCFKSA-N 1 2 332.404 0.964 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3conc3C)C2)C1=O ZINC001008393029 753691203 /nfs/dbraw/zinc/69/12/03/753691203.db2.gz HVBMNNGAQBLACD-DZGCQCFKSA-N 1 2 332.404 0.964 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2Cc3ccccc32)[C@@H](n2ccnn2)C1 ZINC001070012585 790323169 /nfs/dbraw/zinc/32/31/69/790323169.db2.gz DAXLFMAEAUKEQW-KSZLIROESA-N 1 2 335.411 0.983 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCCOCC=C)C2)nn1 ZINC001098650018 753729409 /nfs/dbraw/zinc/72/94/09/753729409.db2.gz XLJXGLOTPFQTIN-INIZCTEOSA-N 1 2 331.420 0.757 20 30 ECEDLO O=C(C[C@H]1CCOC1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083380469 753737512 /nfs/dbraw/zinc/73/75/12/753737512.db2.gz XODIZXFEOXJUKB-KURKYZTESA-N 1 2 328.412 0.626 20 30 ECEDLO O=C(C[C@H]1CCOC1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083380469 753737516 /nfs/dbraw/zinc/73/75/16/753737516.db2.gz XODIZXFEOXJUKB-KURKYZTESA-N 1 2 328.412 0.626 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[C@@H]3CCOC3)[C@@H](O)C2)cc1F ZINC001083380392 753737555 /nfs/dbraw/zinc/73/75/55/753737555.db2.gz VHJONSRVMCKBPA-XKQJLSEDSA-N 1 2 347.390 0.785 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C[C@@H]3CCOC3)[C@@H](O)C2)cc1F ZINC001083380392 753737562 /nfs/dbraw/zinc/73/75/62/753737562.db2.gz VHJONSRVMCKBPA-XKQJLSEDSA-N 1 2 347.390 0.785 20 30 ECEDLO CCc1nocc1C[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001083392516 753793413 /nfs/dbraw/zinc/79/34/13/753793413.db2.gz MGSJCSBZUWZXDW-CABCVRRESA-N 1 2 329.360 0.412 20 30 ECEDLO CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001083392516 753793416 /nfs/dbraw/zinc/79/34/16/753793416.db2.gz MGSJCSBZUWZXDW-CABCVRRESA-N 1 2 329.360 0.412 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001014099875 762245625 /nfs/dbraw/zinc/24/56/25/762245625.db2.gz DCQLWJZKXVTTEL-QMTHXVAHSA-N 1 2 326.360 0.571 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCN(C)c1nccnc1C#N ZINC001105577361 753851455 /nfs/dbraw/zinc/85/14/55/753851455.db2.gz OUIRXMDFSMDCNJ-GFCCVEGCSA-N 1 2 327.392 0.845 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCN(C)c1nccnc1C#N ZINC001105577361 753851459 /nfs/dbraw/zinc/85/14/59/753851459.db2.gz OUIRXMDFSMDCNJ-GFCCVEGCSA-N 1 2 327.392 0.845 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC001014102489 762253733 /nfs/dbraw/zinc/25/37/33/762253733.db2.gz MOCKNUCEFLOFKU-BLLLJJGKSA-N 1 2 337.383 0.748 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[C@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC001014102668 762255820 /nfs/dbraw/zinc/25/58/20/762255820.db2.gz OQLMFUPRZFIMTN-WCQYABFASA-N 1 2 343.391 0.149 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCn3cc(Cl)cn3)C2)nn1 ZINC001105376611 754042550 /nfs/dbraw/zinc/04/25/50/754042550.db2.gz AIVQWANORQAPRD-UHFFFAOYSA-N 1 2 347.810 0.324 20 30 ECEDLO C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1)c1csnn1 ZINC001051524931 762276317 /nfs/dbraw/zinc/27/63/17/762276317.db2.gz YHWOSOQDJHBPNH-CMPLNLGQSA-N 1 2 346.416 0.930 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001009124725 754556183 /nfs/dbraw/zinc/55/61/83/754556183.db2.gz REYOFCIQRQTGDZ-KGLIPLIRSA-N 1 2 346.431 0.975 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CCC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001009124725 754556187 /nfs/dbraw/zinc/55/61/87/754556187.db2.gz REYOFCIQRQTGDZ-KGLIPLIRSA-N 1 2 346.431 0.975 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001009126768 754558123 /nfs/dbraw/zinc/55/81/23/754558123.db2.gz WKKLJRSZDMJJHI-STQMWFEESA-N 1 2 332.404 0.714 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001009126768 754558129 /nfs/dbraw/zinc/55/81/29/754558129.db2.gz WKKLJRSZDMJJHI-STQMWFEESA-N 1 2 332.404 0.714 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](Nc2nccnc2C#N)C1 ZINC001059087856 754593670 /nfs/dbraw/zinc/59/36/70/754593670.db2.gz BXNWGIDXRCKLHI-NEPJUHHUSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](Nc2nccnc2C#N)C1 ZINC001059087856 754593673 /nfs/dbraw/zinc/59/36/73/754593673.db2.gz BXNWGIDXRCKLHI-NEPJUHHUSA-N 1 2 325.376 0.963 20 30 ECEDLO Cn1ncc(C[N@@H+]2CC[C@@]3(NC(=O)c4c[nH]c(C#N)c4)CCC[C@@H]23)n1 ZINC000990286812 754923548 /nfs/dbraw/zinc/92/35/48/754923548.db2.gz DZDVQJNJGCGWDJ-WBVHZDCISA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1ncc(C[N@H+]2CC[C@@]3(NC(=O)c4c[nH]c(C#N)c4)CCC[C@@H]23)n1 ZINC000990286812 754923551 /nfs/dbraw/zinc/92/35/51/754923551.db2.gz DZDVQJNJGCGWDJ-WBVHZDCISA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1cc(C[N@@H+]2CC[C@]3(NC(=O)c4ccc(C#N)[nH]4)CCC[C@H]23)nn1 ZINC000990275147 754929340 /nfs/dbraw/zinc/92/93/40/754929340.db2.gz FCWXPOTYHCWNRT-DOTOQJQBSA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1cc(C[N@H+]2CC[C@]3(NC(=O)c4ccc(C#N)[nH]4)CCC[C@H]23)nn1 ZINC000990275147 754929342 /nfs/dbraw/zinc/92/93/42/754929342.db2.gz FCWXPOTYHCWNRT-DOTOQJQBSA-N 1 2 339.403 0.942 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+]([C@@H](C)c3nnc(C)[nH]3)C2)nn1 ZINC001028850965 755307912 /nfs/dbraw/zinc/30/79/12/755307912.db2.gz CLPPILPJQKOSCP-AAEUAGOBSA-N 1 2 344.423 0.704 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+]([C@@H](C)c3nnc(C)[nH]3)C2)nn1 ZINC001028850965 755307918 /nfs/dbraw/zinc/30/79/18/755307918.db2.gz CLPPILPJQKOSCP-AAEUAGOBSA-N 1 2 344.423 0.704 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)[nH]1 ZINC000983365931 755411731 /nfs/dbraw/zinc/41/17/31/755411731.db2.gz VVZXNJVEEBGDSK-NSHDSACASA-N 1 2 326.360 0.430 20 30 ECEDLO C#CCNC(=O)CC(=O)N1CCC[C@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001098691378 755436231 /nfs/dbraw/zinc/43/62/31/755436231.db2.gz ZTYLKJVOYKBYNW-AWEZNQCLSA-N 1 2 329.404 0.352 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC000983371383 755444010 /nfs/dbraw/zinc/44/40/10/755444010.db2.gz YDEXURLNNWILJZ-LBPRGKRZSA-N 1 2 343.391 0.008 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3c(C)noc3C)C2)C1=O ZINC001010128171 755690285 /nfs/dbraw/zinc/69/02/85/755690285.db2.gz AWHITIBIMQXRFW-KGLIPLIRSA-N 1 2 332.404 0.882 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3c(C)noc3C)C2)C1=O ZINC001010128171 755690286 /nfs/dbraw/zinc/69/02/86/755690286.db2.gz AWHITIBIMQXRFW-KGLIPLIRSA-N 1 2 332.404 0.882 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)C3(F)CCOCC3)[C@@H](O)C2)c1 ZINC001083513111 755820461 /nfs/dbraw/zinc/82/04/61/755820461.db2.gz RRZXSSUHTAXQOW-CVEARBPZSA-N 1 2 347.390 0.738 20 30 ECEDLO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)C3(F)CCOCC3)[C@@H](O)C2)c1 ZINC001083513111 755820463 /nfs/dbraw/zinc/82/04/63/755820463.db2.gz RRZXSSUHTAXQOW-CVEARBPZSA-N 1 2 347.390 0.738 20 30 ECEDLO CN(CCCN(C)c1ccnc(C#N)n1)C(=O)CCc1c[nH+]cn1C ZINC001112109898 762443164 /nfs/dbraw/zinc/44/31/64/762443164.db2.gz OFZGTEOQDYVSBF-UHFFFAOYSA-N 1 2 341.419 0.999 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3oc(C)nc3C)C2)C1=O ZINC001010434177 756133626 /nfs/dbraw/zinc/13/36/26/756133626.db2.gz YNIYDHXUEYRJKY-UONOGXRCSA-N 1 2 332.404 0.882 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3oc(C)nc3C)C2)C1=O ZINC001010434177 756133629 /nfs/dbraw/zinc/13/36/29/756133629.db2.gz YNIYDHXUEYRJKY-UONOGXRCSA-N 1 2 332.404 0.882 20 30 ECEDLO C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)Cc1c[nH+]cn1C ZINC001076177719 756177211 /nfs/dbraw/zinc/17/72/11/756177211.db2.gz MSYVURMTJUNCCI-NSHDSACASA-N 1 2 328.376 0.487 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001010548265 756228519 /nfs/dbraw/zinc/22/85/19/756228519.db2.gz XIQJSAMRVXUDLB-CZUORRHYSA-N 1 2 326.400 0.775 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001010548265 756228522 /nfs/dbraw/zinc/22/85/22/756228522.db2.gz XIQJSAMRVXUDLB-CZUORRHYSA-N 1 2 326.400 0.775 20 30 ECEDLO CO[C@@H](C)c1noc(C[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC001051610914 762462621 /nfs/dbraw/zinc/46/26/21/762462621.db2.gz FQCFFLFFUXRMKP-JSGCOSHPSA-N 1 2 348.403 0.507 20 30 ECEDLO COc1nccc(C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001010692570 756405165 /nfs/dbraw/zinc/40/51/65/756405165.db2.gz VDEXNOKNAFWNCY-CYBMUJFWSA-N 1 2 326.360 0.689 20 30 ECEDLO COc1nccc(C[N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001010692570 756405171 /nfs/dbraw/zinc/40/51/71/756405171.db2.gz VDEXNOKNAFWNCY-CYBMUJFWSA-N 1 2 326.360 0.689 20 30 ECEDLO COc1nccc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001010692572 756405191 /nfs/dbraw/zinc/40/51/91/756405191.db2.gz VDEXNOKNAFWNCY-ZDUSSCGKSA-N 1 2 326.360 0.689 20 30 ECEDLO COc1nccc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001010692572 756405195 /nfs/dbraw/zinc/40/51/95/756405195.db2.gz VDEXNOKNAFWNCY-ZDUSSCGKSA-N 1 2 326.360 0.689 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001083547166 756466075 /nfs/dbraw/zinc/46/60/75/756466075.db2.gz XGKTZWSBTKHRHR-CABCVRRESA-N 1 2 339.355 0.029 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001083547166 756466078 /nfs/dbraw/zinc/46/60/78/756466078.db2.gz XGKTZWSBTKHRHR-CABCVRRESA-N 1 2 339.355 0.029 20 30 ECEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)Cc4ncn[nH]4)[C@@H]3C2)c1 ZINC001076443428 756504856 /nfs/dbraw/zinc/50/48/56/756504856.db2.gz LJHRGSJQCWZULZ-JKSUJKDBSA-N 1 2 336.399 0.952 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cc4ncn[nH]4)[C@@H]3C2)c1 ZINC001076443428 756504860 /nfs/dbraw/zinc/50/48/60/756504860.db2.gz LJHRGSJQCWZULZ-JKSUJKDBSA-N 1 2 336.399 0.952 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001076512034 756607201 /nfs/dbraw/zinc/60/72/01/756607201.db2.gz MYXCORUROUKXIV-UONOGXRCSA-N 1 2 347.415 0.682 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](OC)C3CC3)C2)nn1 ZINC001098664072 756649270 /nfs/dbraw/zinc/64/92/70/756649270.db2.gz LTMLEMOUBCEVBQ-HZPDHXFCSA-N 1 2 331.420 0.589 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CCN(C(=O)CCn3cc[nH+]c3)CC2)c1 ZINC001010925764 756675196 /nfs/dbraw/zinc/67/51/96/756675196.db2.gz VXAMZORRIGPLHO-UHFFFAOYSA-N 1 2 326.360 0.458 20 30 ECEDLO N#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)[nH]1 ZINC000990894803 756730071 /nfs/dbraw/zinc/73/00/71/756730071.db2.gz ZCFZMBZZRAJMAZ-LLVKDONJSA-N 1 2 338.371 0.286 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cccs3)C2)C1=O ZINC001076685523 756843592 /nfs/dbraw/zinc/84/35/92/756843592.db2.gz JNIBYOPTTOWFIH-QLFBSQMISA-N 1 2 349.456 0.239 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cccs3)C2)C1=O ZINC001076685523 756843597 /nfs/dbraw/zinc/84/35/97/756843597.db2.gz JNIBYOPTTOWFIH-QLFBSQMISA-N 1 2 349.456 0.239 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3cccc(C)c3)C2)C1=O ZINC001076706481 756896193 /nfs/dbraw/zinc/89/61/93/756896193.db2.gz JROPYBHVOMSNPS-BRWVUGGUSA-N 1 2 343.427 0.557 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cccc(C)c3)C2)C1=O ZINC001076706481 756896197 /nfs/dbraw/zinc/89/61/97/756896197.db2.gz JROPYBHVOMSNPS-BRWVUGGUSA-N 1 2 343.427 0.557 20 30 ECEDLO CC(C)(C(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1)c1c[nH+]c[nH]1 ZINC000990931843 756910889 /nfs/dbraw/zinc/91/08/89/756910889.db2.gz YBFMOJYORNFRTH-UHFFFAOYSA-N 1 2 326.360 0.528 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001076726351 756920289 /nfs/dbraw/zinc/92/02/89/756920289.db2.gz GJWWMBISRHLPJJ-NOLJZWGESA-N 1 2 334.420 0.944 20 30 ECEDLO O=C(C#CC1CC1)N1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001011110488 756940365 /nfs/dbraw/zinc/94/03/65/756940365.db2.gz BLINZCSRGNZMLE-OAHLLOKOSA-N 1 2 326.400 0.530 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)C[C@@H]3CCOC3)nn2)C1 ZINC001107150715 757068877 /nfs/dbraw/zinc/06/88/77/757068877.db2.gz WTPUEWFTQKSPEL-AWEZNQCLSA-N 1 2 349.435 0.380 20 30 ECEDLO C[C@@H](CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1)n1cc[nH+]c1 ZINC001048824830 757116790 /nfs/dbraw/zinc/11/67/90/757116790.db2.gz MNVVEUJFYVHQAG-BPUTZDHNSA-N 1 2 344.415 0.278 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001076792211 757135660 /nfs/dbraw/zinc/13/56/60/757135660.db2.gz RZRASOAQNLCGMC-FVQBIDKESA-N 1 2 345.399 0.265 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001076792211 757135669 /nfs/dbraw/zinc/13/56/69/757135669.db2.gz RZRASOAQNLCGMC-FVQBIDKESA-N 1 2 345.399 0.265 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCc3ncc[nH]3)nn2)C1 ZINC001107165155 757173783 /nfs/dbraw/zinc/17/37/83/757173783.db2.gz PNPZQKWEVVLUFY-UHFFFAOYSA-N 1 2 327.392 0.130 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001011206021 757186765 /nfs/dbraw/zinc/18/67/65/757186765.db2.gz XSINUIBRJVAGIH-ZBFHGGJFSA-N 1 2 346.431 0.913 20 30 ECEDLO C#CCCCC(=O)NCc1cn(C2CN(Cc3c[nH+]cn3C)C2)nn1 ZINC001107164153 757198101 /nfs/dbraw/zinc/19/81/01/757198101.db2.gz SGISQOVWKWUSJE-UHFFFAOYSA-N 1 2 341.419 0.488 20 30 ECEDLO CC(C)C#CC(=O)NCc1cn(C2C[NH+](C[C@H]3CCCCO3)C2)nn1 ZINC001107169656 757208352 /nfs/dbraw/zinc/20/83/52/757208352.db2.gz PAGXNGPRIDFQID-QGZVFWFLSA-N 1 2 345.447 0.980 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cc[nH]n3)C2)cc1F ZINC001076828649 757291633 /nfs/dbraw/zinc/29/16/33/757291633.db2.gz KKRRVPTXRAXRMJ-HZPDHXFCSA-N 1 2 343.362 0.324 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cc[nH]n3)C2)cc1F ZINC001076828649 757291639 /nfs/dbraw/zinc/29/16/39/757291639.db2.gz KKRRVPTXRAXRMJ-HZPDHXFCSA-N 1 2 343.362 0.324 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)C3CC(OC)C3)nn2)C1 ZINC001107180133 757298385 /nfs/dbraw/zinc/29/83/85/757298385.db2.gz CACWYCANFMYPSM-UHFFFAOYSA-N 1 2 349.435 0.379 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC001011260341 757315255 /nfs/dbraw/zinc/31/52/55/757315255.db2.gz OCAJJYZCMORLDK-ZFWWWQNUSA-N 1 2 329.404 0.515 20 30 ECEDLO C=CCC(CC=C)C(=O)N(C)[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC001048897416 757330092 /nfs/dbraw/zinc/33/00/92/757330092.db2.gz FBMFORSFXBBAEU-HOTGVXAUSA-N 1 2 346.431 0.682 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C(C)=C3CCCC3)C2)C1=O ZINC001076865488 757413359 /nfs/dbraw/zinc/41/33/59/757413359.db2.gz JJAPQSHYOHZGNL-IXDOHACOSA-N 1 2 347.459 0.825 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C(C)=C3CCCC3)C2)C1=O ZINC001076865488 757413363 /nfs/dbraw/zinc/41/33/63/757413363.db2.gz JJAPQSHYOHZGNL-IXDOHACOSA-N 1 2 347.459 0.825 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCc3cccnc3)nn2)C1 ZINC001107184674 757416770 /nfs/dbraw/zinc/41/67/70/757416770.db2.gz QJWRWFVVXLZJEG-UHFFFAOYSA-N 1 2 338.415 0.802 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3nc(C)no3)C(C)(C)C2)nn1 ZINC000996390786 757523851 /nfs/dbraw/zinc/52/38/51/757523851.db2.gz WBKKYKDWENCJPI-CYBMUJFWSA-N 1 2 345.407 0.796 20 30 ECEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)CCOC)CC2)C1 ZINC001105683108 757548934 /nfs/dbraw/zinc/54/89/34/757548934.db2.gz RKCJHSVJFWFZKJ-UHFFFAOYSA-N 1 2 326.437 0.917 20 30 ECEDLO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001049023820 757724348 /nfs/dbraw/zinc/72/43/48/757724348.db2.gz KSMWDYNJPKCCAP-GJZGRUSLSA-N 1 2 347.415 0.629 20 30 ECEDLO C=CCN1CC(n2cc(CNC(=O)CCc3c[nH+]cn3C)nn2)C1 ZINC001107232173 757950628 /nfs/dbraw/zinc/95/06/28/757950628.db2.gz VRQAROLPXIZUGD-UHFFFAOYSA-N 1 2 329.408 0.303 20 30 ECEDLO C=C(C)CC[NH+]1CC(n2cc(CNC(=O)Cn3ccnc3C)nn2)C1 ZINC001107235714 758022701 /nfs/dbraw/zinc/02/27/01/758022701.db2.gz JUPDSVRITWSVRV-UHFFFAOYSA-N 1 2 343.435 0.922 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](CC)N3CCCC3=O)nn2)C1 ZINC001107235427 758023209 /nfs/dbraw/zinc/02/32/09/758023209.db2.gz GOGRLGOFCHDTSJ-OAHLLOKOSA-N 1 2 346.435 0.338 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCN(C(=O)Cc3c[nH+]cn3C)CC2)cn1 ZINC001011644421 758197225 /nfs/dbraw/zinc/19/72/25/758197225.db2.gz FHDALXYSNCJTPW-UHFFFAOYSA-N 1 2 337.383 0.324 20 30 ECEDLO C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001011667009 758251703 /nfs/dbraw/zinc/25/17/03/758251703.db2.gz UIOGLLUFXUDTRZ-WCQYABFASA-N 1 2 326.360 0.502 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC/C=C\CNc1ncnc2c1C[N@H+](C)CC2 ZINC001107346416 758358100 /nfs/dbraw/zinc/35/81/00/758358100.db2.gz OZBVNKLSYDXHSP-GEXIGZQTSA-N 1 2 343.431 0.587 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC/C=C\CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001107346416 758358110 /nfs/dbraw/zinc/35/81/10/758358110.db2.gz OZBVNKLSYDXHSP-GEXIGZQTSA-N 1 2 343.431 0.587 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c(=O)c3)C2)s1 ZINC001077183133 758435388 /nfs/dbraw/zinc/43/53/88/758435388.db2.gz WPAAXYPMYNIAOM-CHWSQXEVSA-N 1 2 345.384 0.090 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cn[nH]c(=O)c3)C2)s1 ZINC001077183133 758435391 /nfs/dbraw/zinc/43/53/91/758435391.db2.gz WPAAXYPMYNIAOM-CHWSQXEVSA-N 1 2 345.384 0.090 20 30 ECEDLO CC#CCCCC(=O)N(C)[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC001049250064 758436355 /nfs/dbraw/zinc/43/63/55/758436355.db2.gz VBJBSZDOXRRAJF-GJZGRUSLSA-N 1 2 332.404 0.107 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)Cn2cc[nH+]c2)nc1 ZINC001077183384 758437526 /nfs/dbraw/zinc/43/75/26/758437526.db2.gz JHHGLUDQGOYJQC-ZDUSSCGKSA-N 1 2 325.372 0.584 20 30 ECEDLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077186227 758446851 /nfs/dbraw/zinc/44/68/51/758446851.db2.gz NAYOMKROTLFFNZ-HUUCEWRRSA-N 1 2 340.383 0.250 20 30 ECEDLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077186227 758446860 /nfs/dbraw/zinc/44/68/60/758446860.db2.gz NAYOMKROTLFFNZ-HUUCEWRRSA-N 1 2 340.383 0.250 20 30 ECEDLO N#Cc1nccnc1NC/C=C\CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001107393424 758450011 /nfs/dbraw/zinc/45/00/11/758450011.db2.gz CONANVADVCAWFC-UIIMQBOASA-N 1 2 337.387 0.892 20 30 ECEDLO N#Cc1nccc(NC/C=C/CNC(=O)[C@H]2CCc3c[nH+]cn3C2)n1 ZINC001107395091 758452919 /nfs/dbraw/zinc/45/29/19/758452919.db2.gz UZHNPDDNRGZERO-AORQRIRUSA-N 1 2 337.387 0.314 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nc(CC)no2)CC1 ZINC000996683436 758463952 /nfs/dbraw/zinc/46/39/52/758463952.db2.gz CQTLKTGOPASPLK-HNNXBMFYSA-N 1 2 345.447 0.810 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nc(CC)no2)CC1 ZINC000996683436 758463959 /nfs/dbraw/zinc/46/39/59/758463959.db2.gz CQTLKTGOPASPLK-HNNXBMFYSA-N 1 2 345.447 0.810 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C4CC4)CC3)C2)C1=O ZINC001077190753 758467392 /nfs/dbraw/zinc/46/73/92/758467392.db2.gz MRHPQWBZXPAOLK-QLFBSQMISA-N 1 2 333.432 0.125 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C4CC4)CC3)C2)C1=O ZINC001077190753 758467400 /nfs/dbraw/zinc/46/74/00/758467400.db2.gz MRHPQWBZXPAOLK-QLFBSQMISA-N 1 2 333.432 0.125 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC(CC3)C4)C2)C1=O ZINC001077238646 758574066 /nfs/dbraw/zinc/57/40/66/758574066.db2.gz LJJYJPFZNXUQST-AOZDQCPJSA-N 1 2 347.459 0.515 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC(CC3)C4)C2)C1=O ZINC001077238646 758574074 /nfs/dbraw/zinc/57/40/74/758574074.db2.gz LJJYJPFZNXUQST-AOZDQCPJSA-N 1 2 347.459 0.515 20 30 ECEDLO COCCc1noc(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@@H](C)C#N)n1 ZINC001049379955 758597641 /nfs/dbraw/zinc/59/76/41/758597641.db2.gz CDUFRQMYDYNOMZ-MELADBBJSA-N 1 2 347.419 0.983 20 30 ECEDLO COCCc1noc(C[N@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@@H](C)C#N)n1 ZINC001049379955 758597645 /nfs/dbraw/zinc/59/76/45/758597645.db2.gz CDUFRQMYDYNOMZ-MELADBBJSA-N 1 2 347.419 0.983 20 30 ECEDLO Cc1cc(C)c(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)c(C)[nH+]1 ZINC001049395184 758626079 /nfs/dbraw/zinc/62/60/79/758626079.db2.gz RSVYURFPECJPNB-UGFHNGPFSA-N 1 2 344.415 0.810 20 30 ECEDLO Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)c2cc(C#N)c[nH]2)nn1 ZINC001049400113 758632555 /nfs/dbraw/zinc/63/25/55/758632555.db2.gz DNAODLUYEMLRPO-JKSUJKDBSA-N 1 2 339.403 0.894 20 30 ECEDLO Cn1cc(C[N@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)c2cc(C#N)c[nH]2)nn1 ZINC001049400113 758632562 /nfs/dbraw/zinc/63/25/62/758632562.db2.gz DNAODLUYEMLRPO-JKSUJKDBSA-N 1 2 339.403 0.894 20 30 ECEDLO Cn1ncc(C[N@@H+]2CC[C@H]3[C@H]2CCCN3C(=O)c2c[nH]c(C#N)c2)n1 ZINC001049426731 758671128 /nfs/dbraw/zinc/67/11/28/758671128.db2.gz YKFISSUNAOHKKI-CVEARBPZSA-N 1 2 339.403 0.894 20 30 ECEDLO Cn1ncc(C[N@H+]2CC[C@H]3[C@H]2CCCN3C(=O)c2c[nH]c(C#N)c2)n1 ZINC001049426731 758671135 /nfs/dbraw/zinc/67/11/35/758671135.db2.gz YKFISSUNAOHKKI-CVEARBPZSA-N 1 2 339.403 0.894 20 30 ECEDLO Cn1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)c2c[nH]c(C#N)c2)nn1 ZINC001049430095 758681382 /nfs/dbraw/zinc/68/13/82/758681382.db2.gz AAVHUBQRJYIJPL-HOTGVXAUSA-N 1 2 339.403 0.894 20 30 ECEDLO Cn1cc(C[N@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)c2c[nH]c(C#N)c2)nn1 ZINC001049430095 758681385 /nfs/dbraw/zinc/68/13/85/758681385.db2.gz AAVHUBQRJYIJPL-HOTGVXAUSA-N 1 2 339.403 0.894 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001011913204 758930816 /nfs/dbraw/zinc/93/08/16/758930816.db2.gz NALCKIZNPCEWSQ-FZMZJTMJSA-N 1 2 340.387 0.582 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001011915982 758940636 /nfs/dbraw/zinc/94/06/36/758940636.db2.gz YLTSBXYXWXGYOK-IAQYHMDHSA-N 1 2 340.387 0.582 20 30 ECEDLO C#CCCCC(=O)N1CC[C@@H](n2cc(C[NH2+][C@H](CC)C(N)=O)nn2)C1 ZINC001098669304 758949149 /nfs/dbraw/zinc/94/91/49/758949149.db2.gz MRMGLMKNUXZVRJ-HUUCEWRRSA-N 1 2 346.435 0.209 20 30 ECEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)C[C@@H]1O ZINC001083578695 759051568 /nfs/dbraw/zinc/05/15/68/759051568.db2.gz YTDRZZAHRDAWNL-ILXRZTDVSA-N 1 2 347.415 0.290 20 30 ECEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+]([C@@H](CC)C(N)=O)C[C@@H]1O ZINC001083578695 759051575 /nfs/dbraw/zinc/05/15/75/759051575.db2.gz YTDRZZAHRDAWNL-ILXRZTDVSA-N 1 2 347.415 0.290 20 30 ECEDLO N#Cc1nccc(NC[C@H]2CCC[C@H]2NC(=O)CCc2c[nH]c[nH+]2)n1 ZINC001105693700 759061439 /nfs/dbraw/zinc/06/14/39/759061439.db2.gz IFZDTCBMRNDBJO-TZMCWYRMSA-N 1 2 339.403 0.823 20 30 ECEDLO N#Cc1nccc(NC[C@H]2CCC[C@H]2NC(=O)CCc2c[nH+]c[nH]2)n1 ZINC001105693700 759061449 /nfs/dbraw/zinc/06/14/49/759061449.db2.gz IFZDTCBMRNDBJO-TZMCWYRMSA-N 1 2 339.403 0.823 20 30 ECEDLO C=CCCC(=O)N1CCC(OC2C[NH+](CCOCCO)C2)CC1 ZINC001105697292 759246935 /nfs/dbraw/zinc/24/69/35/759246935.db2.gz SLAIQUQEYSIEQO-UHFFFAOYSA-N 1 2 326.437 0.653 20 30 ECEDLO C=CCOCC(=O)N1CCC(OC2C[NH+](CCn3cncn3)C2)CC1 ZINC001105698600 759332407 /nfs/dbraw/zinc/33/24/07/759332407.db2.gz NWRSPEILOTYDHX-UHFFFAOYSA-N 1 2 349.435 0.173 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)Cc3cnoc3)[C@@H](O)C2)cc1F ZINC001083720199 767861342 /nfs/dbraw/zinc/86/13/42/767861342.db2.gz PXQIPSAJAWONSS-CVEARBPZSA-N 1 2 344.346 0.589 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)Cc3cnoc3)[C@@H](O)C2)cc1F ZINC001083720199 767861349 /nfs/dbraw/zinc/86/13/49/767861349.db2.gz PXQIPSAJAWONSS-CVEARBPZSA-N 1 2 344.346 0.589 20 30 ECEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)CC(=O)NC)CC2)C1 ZINC001105704146 759533180 /nfs/dbraw/zinc/53/31/80/759533180.db2.gz QAJHPKAXWBLMQI-UHFFFAOYSA-N 1 2 339.436 0.017 20 30 ECEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)c3cn(C)nn3)CC2)C1 ZINC001105704548 759540455 /nfs/dbraw/zinc/54/04/55/759540455.db2.gz YOAOFKPXNNPGPY-UHFFFAOYSA-N 1 2 349.435 0.323 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H]([C@@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001050298193 760080657 /nfs/dbraw/zinc/08/06/57/760080657.db2.gz SFAHYAAIQYMHOK-KGLIPLIRSA-N 1 2 334.420 0.518 20 30 ECEDLO C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001050484030 760338590 /nfs/dbraw/zinc/33/85/90/760338590.db2.gz QYCDPNALHUANHU-STQMWFEESA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000945478375 760360933 /nfs/dbraw/zinc/36/09/33/760360933.db2.gz XIYNJDBBHOHOLE-DGCLKSJQSA-N 1 2 340.387 0.819 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1nc(CC(F)(F)F)no1 ZINC001127052453 760499041 /nfs/dbraw/zinc/49/90/41/760499041.db2.gz XVCQJQUITOWHPT-SECBINFHSA-N 1 2 334.298 0.419 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[C@@H]3OCC)nn2)C1 ZINC001107132598 760551863 /nfs/dbraw/zinc/55/18/63/760551863.db2.gz ZXUAYTGIVPXGLR-HOTGVXAUSA-N 1 2 349.435 0.379 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CNc1ccnc(C#N)n1 ZINC001054437765 767976391 /nfs/dbraw/zinc/97/63/91/767976391.db2.gz CQJUFNYUWDBEJH-VXGBXAGGSA-N 1 2 325.376 0.242 20 30 ECEDLO C#CCCCCC(=O)N(C)[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1O ZINC001048709053 760991949 /nfs/dbraw/zinc/99/19/49/760991949.db2.gz QQOYNCHMOAAJKU-HOTGVXAUSA-N 1 2 346.431 0.566 20 30 ECEDLO C#CCCCCC(=O)N(C)[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1O ZINC001048709053 760991952 /nfs/dbraw/zinc/99/19/52/760991952.db2.gz QQOYNCHMOAAJKU-HOTGVXAUSA-N 1 2 346.431 0.566 20 30 ECEDLO C#CCCCCC(=O)N(C)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001048711754 760996403 /nfs/dbraw/zinc/99/64/03/760996403.db2.gz AXMVMDXJEFICJY-GJZGRUSLSA-N 1 2 332.404 0.176 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2COCC[N@@H+]2CC[C@H]2CCCO2)c[nH]1 ZINC001050880183 761061599 /nfs/dbraw/zinc/06/15/99/761061599.db2.gz NRGZAKWKJASSNB-HZPDHXFCSA-N 1 2 332.404 0.886 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2COCC[N@H+]2CC[C@H]2CCCO2)c[nH]1 ZINC001050880183 761061608 /nfs/dbraw/zinc/06/16/08/761061608.db2.gz NRGZAKWKJASSNB-HZPDHXFCSA-N 1 2 332.404 0.886 20 30 ECEDLO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1O ZINC001048757800 761122628 /nfs/dbraw/zinc/12/26/28/761122628.db2.gz OMESVIHGIGDKAB-GJZGRUSLSA-N 1 2 332.404 0.094 20 30 ECEDLO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1O ZINC001048757736 761122980 /nfs/dbraw/zinc/12/29/80/761122980.db2.gz MFWRXOBGUIDMFY-GJZGRUSLSA-N 1 2 332.404 0.176 20 30 ECEDLO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1O ZINC001048757736 761122988 /nfs/dbraw/zinc/12/29/88/761122988.db2.gz MFWRXOBGUIDMFY-GJZGRUSLSA-N 1 2 332.404 0.176 20 30 ECEDLO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)c1c(CC)c(CC)n[nH]c1=O ZINC001050943212 761183592 /nfs/dbraw/zinc/18/35/92/761183592.db2.gz KVHDKLPJJVBLMV-CYBMUJFWSA-N 1 2 346.431 0.761 20 30 ECEDLO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1c(CC)c(CC)n[nH]c1=O ZINC001050943212 761183595 /nfs/dbraw/zinc/18/35/95/761183595.db2.gz KVHDKLPJJVBLMV-CYBMUJFWSA-N 1 2 346.431 0.761 20 30 ECEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CCCCNC(N)=O)CC2)C1 ZINC001105714387 761254084 /nfs/dbraw/zinc/25/40/84/761254084.db2.gz XAEHZSZVQPYGJS-UHFFFAOYSA-N 1 2 338.452 0.703 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(CC)C2=O)C[C@H]1OC ZINC001212148996 761274255 /nfs/dbraw/zinc/27/42/55/761274255.db2.gz XJZADYDATCDUSC-BZUAXINKSA-N 1 2 335.448 0.616 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(CC)C2=O)C[C@H]1OC ZINC001212148996 761274259 /nfs/dbraw/zinc/27/42/59/761274259.db2.gz XJZADYDATCDUSC-BZUAXINKSA-N 1 2 335.448 0.616 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccnc2c1CC(=O)N2 ZINC001051001820 761313443 /nfs/dbraw/zinc/31/34/43/761313443.db2.gz XRVFLGOQWBAMRE-LBPRGKRZSA-N 1 2 330.388 0.583 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccnc2c1CC(=O)N2 ZINC001051001820 761313448 /nfs/dbraw/zinc/31/34/48/761313448.db2.gz XRVFLGOQWBAMRE-LBPRGKRZSA-N 1 2 330.388 0.583 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cc1c[nH+]cn1C ZINC001013329678 761313862 /nfs/dbraw/zinc/31/38/62/761313862.db2.gz WCUGTMGZZSDWJC-WCQYABFASA-N 1 2 340.387 0.582 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1COCCN1CC(F)F ZINC001051046954 761390140 /nfs/dbraw/zinc/39/01/40/761390140.db2.gz YOTJGFYPTFZVNU-KGLIPLIRSA-N 1 2 347.406 0.345 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1COCCN1CC(F)F ZINC001051046954 761390151 /nfs/dbraw/zinc/39/01/51/761390151.db2.gz YOTJGFYPTFZVNU-KGLIPLIRSA-N 1 2 347.406 0.345 20 30 ECEDLO N#CCN1CCOC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001051047212 761391406 /nfs/dbraw/zinc/39/14/06/761391406.db2.gz CJMFNKBNLJCZAQ-INIZCTEOSA-N 1 2 325.372 0.826 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)NC[C@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001105737551 761426424 /nfs/dbraw/zinc/42/64/24/761426424.db2.gz HOLDKWWLDCNWPL-NWDGAFQWSA-N 1 2 348.407 0.234 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C)nc1 ZINC001013469489 761456672 /nfs/dbraw/zinc/45/66/72/761456672.db2.gz MGHVTZHLGFJIAU-ZFWWWQNUSA-N 1 2 337.383 0.679 20 30 ECEDLO COCc1noc(C[NH2+][C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C)n1 ZINC001054576739 768048350 /nfs/dbraw/zinc/04/83/50/768048350.db2.gz WEJSCNMRZMZOTA-GXFFZTMASA-N 1 2 344.375 0.666 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001051203278 761680961 /nfs/dbraw/zinc/68/09/61/761680961.db2.gz PRWMMIFLXIPKMY-CABCVRRESA-N 1 2 349.435 0.636 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001051203278 761680964 /nfs/dbraw/zinc/68/09/64/761680964.db2.gz PRWMMIFLXIPKMY-CABCVRRESA-N 1 2 349.435 0.636 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(N(C)C)nn1 ZINC001051208617 761692099 /nfs/dbraw/zinc/69/20/99/761692099.db2.gz UNVGCCXHKGIPOB-AWEZNQCLSA-N 1 2 333.436 0.939 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(N(C)C)nn1 ZINC001051208617 761692106 /nfs/dbraw/zinc/69/21/06/761692106.db2.gz UNVGCCXHKGIPOB-AWEZNQCLSA-N 1 2 333.436 0.939 20 30 ECEDLO C=C1CCC(C(=O)N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)CC1 ZINC000991576868 761740291 /nfs/dbraw/zinc/74/02/91/761740291.db2.gz VKESKVSBJGBNRP-HOTGVXAUSA-N 1 2 346.431 0.708 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccnc1C(N)=O ZINC001051253345 761770371 /nfs/dbraw/zinc/77/03/71/761770371.db2.gz NHZMPVYVWSPMJF-ZDUSSCGKSA-N 1 2 332.404 0.577 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccnc1C(N)=O ZINC001051253345 761770378 /nfs/dbraw/zinc/77/03/78/761770378.db2.gz NHZMPVYVWSPMJF-ZDUSSCGKSA-N 1 2 332.404 0.577 20 30 ECEDLO CC(C)C#CC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001051261714 761785952 /nfs/dbraw/zinc/78/59/52/761785952.db2.gz UKALKSXPSIQRON-LSDHHAIUSA-N 1 2 330.432 0.975 20 30 ECEDLO C[C@H](NC(=O)CSCC#N)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001051262696 761788133 /nfs/dbraw/zinc/78/81/33/761788133.db2.gz YSRBNAJAHUYVJC-STQMWFEESA-N 1 2 349.460 0.573 20 30 ECEDLO C=CCOCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001051312835 761867070 /nfs/dbraw/zinc/86/70/70/761867070.db2.gz YPNYVAHGSTWXCP-JSGCOSHPSA-N 1 2 334.420 0.816 20 30 ECEDLO Cc1ccc(C#N)c(N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](O)C2)n1 ZINC001051719061 762790965 /nfs/dbraw/zinc/79/09/65/762790965.db2.gz RAJOIHOTXHDJLS-ZIAGYGMSSA-N 1 2 340.387 0.283 20 30 ECEDLO C=C1CCC(C(=O)N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](O)C2)CC1 ZINC000991723628 762978704 /nfs/dbraw/zinc/97/87/04/762978704.db2.gz RAYIBNMCRDKIPK-CABCVRRESA-N 1 2 346.431 0.777 20 30 ECEDLO C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001054646688 768123606 /nfs/dbraw/zinc/12/36/06/768123606.db2.gz AIVWBQJIQZNWPF-GXTWGEPZSA-N 1 2 330.436 0.778 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]2O)C1 ZINC000991764169 763318179 /nfs/dbraw/zinc/31/81/79/763318179.db2.gz QTLAJXBBGOMEGX-CABCVRRESA-N 1 2 346.431 0.708 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001014878909 763357336 /nfs/dbraw/zinc/35/73/36/763357336.db2.gz CQESWOOEWZNMSI-IAQYHMDHSA-N 1 2 340.387 0.961 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001046936948 763420522 /nfs/dbraw/zinc/42/05/22/763420522.db2.gz ZBLPYGGHTGWAJW-UWVGGRQHSA-N 1 2 337.754 0.921 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001046936948 763420525 /nfs/dbraw/zinc/42/05/25/763420525.db2.gz ZBLPYGGHTGWAJW-UWVGGRQHSA-N 1 2 337.754 0.921 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CC[C@H]3C(N)=O)C2)c(F)c1 ZINC001031899569 763447448 /nfs/dbraw/zinc/44/74/48/763447448.db2.gz QVMWJIKCSGFCCV-CABCVRRESA-N 1 2 344.390 0.757 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C2)CC1 ZINC001051977473 763496936 /nfs/dbraw/zinc/49/69/36/763496936.db2.gz XGXCXTLKRYVJTF-AWEZNQCLSA-N 1 2 329.404 0.038 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@]3(C)CCCOC3)C2)nn1 ZINC001098756739 763523000 /nfs/dbraw/zinc/52/30/00/763523000.db2.gz CVCSOHRSECCYEH-RDJZCZTQSA-N 1 2 331.420 0.591 20 30 ECEDLO CCc1nc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)no1 ZINC001051997588 763547188 /nfs/dbraw/zinc/54/71/88/763547188.db2.gz DWXLNLYIRAFAGH-KGLIPLIRSA-N 1 2 346.435 0.510 20 30 ECEDLO CCn1cc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)nn1 ZINC001051997915 763548486 /nfs/dbraw/zinc/54/84/86/763548486.db2.gz KQRANVNZWXVMQE-GOEBONIOSA-N 1 2 345.451 0.176 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)CC1 ZINC001051997880 763548536 /nfs/dbraw/zinc/54/85/36/763548536.db2.gz JQBHTPXUWSAISG-UONOGXRCSA-N 1 2 340.855 0.236 20 30 ECEDLO Cc1nnc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)o1 ZINC001051998191 763550376 /nfs/dbraw/zinc/55/03/76/763550376.db2.gz OVOBRRHORCTDOF-GXTWGEPZSA-N 1 2 332.408 0.256 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@](C)(O)C3CC3)C2)CC1 ZINC001052010721 763579294 /nfs/dbraw/zinc/57/92/94/763579294.db2.gz FBMFUZSCMGDKRS-MJGOQNOKSA-N 1 2 333.476 0.779 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]([NH+]2CCN(CCn3cccn3)CC2)C1 ZINC001052024536 763613297 /nfs/dbraw/zinc/61/32/97/763613297.db2.gz GHKGKOGWCIFFDB-SFHVURJKSA-N 1 2 341.459 0.515 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn(C4CCC4)c3)C2)CC1 ZINC001052027509 763622569 /nfs/dbraw/zinc/62/25/69/763622569.db2.gz GWWHBORZMJJGKP-QGZVFWFLSA-N 1 2 342.447 0.964 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc4[nH]cnc4c3)C2)CC1 ZINC001052033030 763636833 /nfs/dbraw/zinc/63/68/33/763636833.db2.gz MEQOWCDGWGRZJA-CQSZACIVSA-N 1 2 339.403 0.314 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)C[C@H]3CCNC3=O)C2)CC1 ZINC001052036669 763649354 /nfs/dbraw/zinc/64/93/54/763649354.db2.gz SCUNXUIQDVEBQC-CVEARBPZSA-N 1 2 334.464 0.307 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ncc(F)cc3F)C2)CC1 ZINC001052042788 763672058 /nfs/dbraw/zinc/67/20/58/763672058.db2.gz GOSGITMSMFCJCV-AWEZNQCLSA-N 1 2 334.370 0.825 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ncc(F)cc3F)C2)CC1 ZINC001052042788 763672062 /nfs/dbraw/zinc/67/20/62/763672062.db2.gz GOSGITMSMFCJCV-AWEZNQCLSA-N 1 2 334.370 0.825 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(C(F)F)ncn3)C2)CC1 ZINC001052043453 763674825 /nfs/dbraw/zinc/67/48/25/763674825.db2.gz YWQRSEJAERWHOA-ZDUSSCGKSA-N 1 2 349.385 0.880 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C(F)F)ncn3)C2)CC1 ZINC001052043453 763674830 /nfs/dbraw/zinc/67/48/30/763674830.db2.gz YWQRSEJAERWHOA-ZDUSSCGKSA-N 1 2 349.385 0.880 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001052044690 763679876 /nfs/dbraw/zinc/67/98/76/763679876.db2.gz LVZDGJJSJLVXMD-OLZOCXBDSA-N 1 2 349.460 0.810 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001052044690 763679879 /nfs/dbraw/zinc/67/98/79/763679879.db2.gz LVZDGJJSJLVXMD-OLZOCXBDSA-N 1 2 349.460 0.810 20 30 ECEDLO CC(C)c1n[nH]cc1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052047862 763692805 /nfs/dbraw/zinc/69/28/05/763692805.db2.gz DCACQONMRVBAPX-AWEZNQCLSA-N 1 2 330.436 0.889 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ccc(OC)o3)C2)nn1 ZINC001098757524 763692851 /nfs/dbraw/zinc/69/28/51/763692851.db2.gz QAXYHOAXYKLNEF-ZDUSSCGKSA-N 1 2 329.360 0.690 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(OC)nc3)C2)CC1 ZINC001052049809 763703383 /nfs/dbraw/zinc/70/33/83/763703383.db2.gz QHJDZNVQVIWGMK-QGZVFWFLSA-N 1 2 342.443 0.946 20 30 ECEDLO N#Cc1cccnc1NC[C@@H](O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001106014887 763714232 /nfs/dbraw/zinc/71/42/32/763714232.db2.gz DVUZMLODMOPQKH-UONOGXRCSA-N 1 2 340.387 0.301 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCCN1C(=O)c1c[nH]c(C#N)c1 ZINC001015036983 763721160 /nfs/dbraw/zinc/72/11/60/763721160.db2.gz SXNKWOSORKGCBM-WFASDCNBSA-N 1 2 340.387 0.892 20 30 ECEDLO CN(C[C@@H](O)CNc1ccc(C#N)nc1)C(=O)CCc1c[nH+]cn1C ZINC001124477604 763725643 /nfs/dbraw/zinc/72/56/43/763725643.db2.gz WGTUGZIRKJVXFA-INIZCTEOSA-N 1 2 342.403 0.551 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3c(C)nn(C)c3C)C2)CC1 ZINC001052059555 763737598 /nfs/dbraw/zinc/73/75/98/763737598.db2.gz KOPLIKQQFBAVQU-KRWDZBQOSA-N 1 2 343.475 0.431 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H](N2CC[NH+]([C@@H](CC)C(N)=O)CC2)C1 ZINC001052060960 763743039 /nfs/dbraw/zinc/74/30/39/763743039.db2.gz OSYDXVDAFMEQAW-CABCVRRESA-N 1 2 336.480 0.681 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ZZFPTHDTYTXACN-KBPBESRZSA-N 1 2 334.441 0.961 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@H]1OC ZINC001212194689 764865620 /nfs/dbraw/zinc/86/56/20/764865620.db2.gz WGAJWBHEOORHPW-INMHGKMJSA-N 1 2 334.420 0.428 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2nccnc2C)C[C@H]1OC ZINC001212194689 764865626 /nfs/dbraw/zinc/86/56/26/764865626.db2.gz WGAJWBHEOORHPW-INMHGKMJSA-N 1 2 334.420 0.428 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3[nH]ncc3F)CC2)C1=O ZINC001052691757 764996761 /nfs/dbraw/zinc/99/67/61/764996761.db2.gz YHJCVMKIZURGBQ-JSGCOSHPSA-N 1 2 349.410 0.920 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3[nH]ncc3F)CC2)C1=O ZINC001052691757 764996763 /nfs/dbraw/zinc/99/67/63/764996763.db2.gz YHJCVMKIZURGBQ-JSGCOSHPSA-N 1 2 349.410 0.920 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+](Cc3ncnn3C)CC2)c1 ZINC001052696475 765001383 /nfs/dbraw/zinc/00/13/83/765001383.db2.gz RUNYJTNJVJLQIA-INIZCTEOSA-N 1 2 338.415 0.976 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+](Cc3ncnn3C)CC2)c1 ZINC001052696475 765001391 /nfs/dbraw/zinc/00/13/91/765001391.db2.gz RUNYJTNJVJLQIA-INIZCTEOSA-N 1 2 338.415 0.976 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c[nH]1 ZINC001015591426 765017464 /nfs/dbraw/zinc/01/74/64/765017464.db2.gz NYUSGEKRJWPCRO-AAEUAGOBSA-N 1 2 340.387 0.867 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2CC2)C[C@H]1Nc1cnc(C#N)cn1 ZINC001052713993 765031480 /nfs/dbraw/zinc/03/14/80/765031480.db2.gz CCWDYOLSKMNVDT-ZIAGYGMSSA-N 1 2 337.387 0.898 20 30 ECEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CNC(=O)N1 ZINC001015633446 765105196 /nfs/dbraw/zinc/10/51/96/765105196.db2.gz GZSSBVXUMDZZMO-CABCVRRESA-N 1 2 330.363 0.049 20 30 ECEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CNC(=O)N1 ZINC001015633446 765105202 /nfs/dbraw/zinc/10/52/02/765105202.db2.gz GZSSBVXUMDZZMO-CABCVRRESA-N 1 2 330.363 0.049 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCCCC3)C2)c1 ZINC001015679249 765150095 /nfs/dbraw/zinc/15/00/95/765150095.db2.gz WMKCSUTWQIBCNK-KRWDZBQOSA-N 1 2 340.427 0.880 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)c1 ZINC001015679249 765150101 /nfs/dbraw/zinc/15/01/01/765150101.db2.gz WMKCSUTWQIBCNK-KRWDZBQOSA-N 1 2 340.427 0.880 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3nncn3C)CC2)cn1 ZINC001052877869 765283807 /nfs/dbraw/zinc/28/38/07/765283807.db2.gz XZZINLJUHRKNKP-MRXNPFEDSA-N 1 2 338.415 0.976 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3nncn3C)CC2)cn1 ZINC001052877869 765283813 /nfs/dbraw/zinc/28/38/13/765283813.db2.gz XZZINLJUHRKNKP-MRXNPFEDSA-N 1 2 338.415 0.976 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3cnoc3CC)C2)C1=O ZINC001015779885 765306683 /nfs/dbraw/zinc/30/66/83/765306683.db2.gz ULCJFFCBNXRQNV-GXTWGEPZSA-N 1 2 332.404 0.828 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3cnoc3CC)C2)C1=O ZINC001015779885 765306687 /nfs/dbraw/zinc/30/66/87/765306687.db2.gz ULCJFFCBNXRQNV-GXTWGEPZSA-N 1 2 332.404 0.828 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3ccc(OC)o3)C2)C1=O ZINC001015894996 765507577 /nfs/dbraw/zinc/50/75/77/765507577.db2.gz AISURNKCWDDPIM-CHWSQXEVSA-N 1 2 333.388 0.879 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3ccc(OC)o3)C2)C1=O ZINC001015894996 765507581 /nfs/dbraw/zinc/50/75/81/765507581.db2.gz AISURNKCWDDPIM-CHWSQXEVSA-N 1 2 333.388 0.879 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3ncccc3F)C2)C1=O ZINC001015901304 765516338 /nfs/dbraw/zinc/51/63/38/765516338.db2.gz SFJWONAFOHPTLZ-OCCSQVGLSA-N 1 2 332.379 0.812 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3ncccc3F)C2)C1=O ZINC001015901304 765516340 /nfs/dbraw/zinc/51/63/40/765516340.db2.gz SFJWONAFOHPTLZ-OCCSQVGLSA-N 1 2 332.379 0.812 20 30 ECEDLO C=CCOCC(=O)NC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001053067665 765542010 /nfs/dbraw/zinc/54/20/10/765542010.db2.gz VZHVVALMSDVZRF-LSDHHAIUSA-N 1 2 334.420 0.687 20 30 ECEDLO C=CCOCC(=O)NC[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001053150729 765659687 /nfs/dbraw/zinc/65/96/87/765659687.db2.gz PNTSLDPPAKDDOY-CABCVRRESA-N 1 2 348.447 0.766 20 30 ECEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCC(=O)N1 ZINC001016028503 765731175 /nfs/dbraw/zinc/73/11/75/765731175.db2.gz YYPINYNOPYPNTL-CVEARBPZSA-N 1 2 329.375 0.646 20 30 ECEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCC(=O)N1 ZINC001016028503 765731178 /nfs/dbraw/zinc/73/11/78/765731178.db2.gz YYPINYNOPYPNTL-CVEARBPZSA-N 1 2 329.375 0.646 20 30 ECEDLO C#CCNC(=O)CC(=O)N1CC[C@H](C)[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001089179085 765825423 /nfs/dbraw/zinc/82/54/23/765825423.db2.gz FRYXOFQNRBNUFO-DZGCQCFKSA-N 1 2 343.431 0.821 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cncn3)C2)c(F)c1 ZINC001016194045 765891282 /nfs/dbraw/zinc/89/12/82/765891282.db2.gz DWAVLURDVUGZCO-CQSZACIVSA-N 1 2 328.351 0.680 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)Cn3cncn3)C2)c(F)c1 ZINC001016194045 765891290 /nfs/dbraw/zinc/89/12/90/765891290.db2.gz DWAVLURDVUGZCO-CQSZACIVSA-N 1 2 328.351 0.680 20 30 ECEDLO C#CCCN1CC2(C1)CN(C(=O)[C@H]1CCn3c[nH+]cc3C1)CCO2 ZINC001053313036 765952448 /nfs/dbraw/zinc/95/24/48/765952448.db2.gz VTMXUKXEEGHQBM-HNNXBMFYSA-N 1 2 328.416 0.382 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc3c(n1)OCCO3)CCO2 ZINC001053326353 765977738 /nfs/dbraw/zinc/97/77/38/765977738.db2.gz CIASFPCZCCTDFV-UHFFFAOYSA-N 1 2 345.399 0.956 20 30 ECEDLO C=CCN1CC2(C1)CN(C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)CCO2 ZINC001053391023 766069893 /nfs/dbraw/zinc/06/98/93/766069893.db2.gz FCOKVKBJNYBCOQ-KRWDZBQOSA-N 1 2 349.475 0.729 20 30 ECEDLO C=CCN1CC2(C1)CN(C(=O)[C@@H]1COCC[N@H+]1C1CCCC1)CCO2 ZINC001053391023 766069900 /nfs/dbraw/zinc/06/99/00/766069900.db2.gz FCOKVKBJNYBCOQ-KRWDZBQOSA-N 1 2 349.475 0.729 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2CC(NC(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC000992265846 766101631 /nfs/dbraw/zinc/10/16/31/766101631.db2.gz XZBXRQCZISUSOB-UHFFFAOYSA-N 1 2 337.383 0.653 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cnn(CCOC)c1)CCO2 ZINC001053520414 766273416 /nfs/dbraw/zinc/27/34/16/766273416.db2.gz GVVLMBYRHSTEBD-UHFFFAOYSA-N 1 2 334.420 0.632 20 30 ECEDLO C[NH+](C)[C@H](C(=O)N1CCOC2(CN(CC#N)C2)C1)c1cccnc1 ZINC001053542338 766308950 /nfs/dbraw/zinc/30/89/50/766308950.db2.gz DYECFVJDUNXPGS-HNNXBMFYSA-N 1 2 329.404 0.121 20 30 ECEDLO Cn1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)nn1 ZINC001031650158 766345654 /nfs/dbraw/zinc/34/56/54/766345654.db2.gz WLVHZZABFIKCET-UHFFFAOYSA-N 1 2 328.351 0.688 20 30 ECEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1 ZINC001031669704 766408763 /nfs/dbraw/zinc/40/87/63/766408763.db2.gz RQXXYFNLPTZEHD-GFCCVEGCSA-N 1 2 337.811 0.563 20 30 ECEDLO C=CCC(C)(C)C(=O)NC[C@H](O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106129848 766458185 /nfs/dbraw/zinc/45/81/85/766458185.db2.gz NCKQTGUKKTWSPS-LBPRGKRZSA-N 1 2 336.440 0.737 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)O2 ZINC001053626145 766467771 /nfs/dbraw/zinc/46/77/71/766467771.db2.gz ODLHHORPZTZILK-ZIAGYGMSSA-N 1 2 342.461 0.347 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc3nnnn3c1)O2 ZINC001053628816 766474656 /nfs/dbraw/zinc/47/46/56/766474656.db2.gz YJGFDSVBHVFFGR-AWEZNQCLSA-N 1 2 342.403 0.664 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(=O)c(OC)co1)O2 ZINC001053628714 766475372 /nfs/dbraw/zinc/47/53/72/766475372.db2.gz WCKVRYRKSCJYOS-GFCCVEGCSA-N 1 2 334.372 0.798 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnc3nccn3c1)O2 ZINC001053630189 766477300 /nfs/dbraw/zinc/47/73/00/766477300.db2.gz HNHDEEKEABAYSK-CQSZACIVSA-N 1 2 327.388 0.879 20 30 ECEDLO CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 ZINC001212253880 766508136 /nfs/dbraw/zinc/50/81/36/766508136.db2.gz KLCSGUJLYLGOHI-NUEKZKHPSA-N 1 2 349.475 0.909 20 30 ECEDLO CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 ZINC001212253880 766508138 /nfs/dbraw/zinc/50/81/38/766508138.db2.gz KLCSGUJLYLGOHI-NUEKZKHPSA-N 1 2 349.475 0.909 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc3[nH]c(=O)[nH]c3n1)O2 ZINC001053651604 766514597 /nfs/dbraw/zinc/51/45/97/766514597.db2.gz HNVCGUFVGMTILF-LLVKDONJSA-N 1 2 343.387 0.813 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCc3nn[nH]c31)O2 ZINC001053654587 766520306 /nfs/dbraw/zinc/52/03/06/766520306.db2.gz QPTLSTPFRNKAQS-QWHCGFSZSA-N 1 2 331.420 0.760 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCc3nnnn3CC1)O2 ZINC001053664308 766538423 /nfs/dbraw/zinc/53/84/23/766538423.db2.gz QQMIIFYRLYQJJT-UONOGXRCSA-N 1 2 346.435 0.161 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cncc(C(N)=O)c1)O2 ZINC001053699337 766615664 /nfs/dbraw/zinc/61/56/64/766615664.db2.gz CXYIWAQGLDPJOZ-OAHLLOKOSA-N 1 2 344.415 0.720 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)O2 ZINC001053704585 766630013 /nfs/dbraw/zinc/63/00/13/766630013.db2.gz JHPVVOBRQGSFBD-AWEZNQCLSA-N 1 2 344.415 0.720 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C(N)=O)ccn1)O2 ZINC001053707350 766634543 /nfs/dbraw/zinc/63/45/43/766634543.db2.gz GPQNSEKMCHFEBO-CYBMUJFWSA-N 1 2 330.388 0.330 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCN([C@@H]2CC[N@H+](Cc3cnns3)C2)CC1 ZINC001046013183 766641284 /nfs/dbraw/zinc/64/12/84/766641284.db2.gz UNCYKHMKOJBWNN-CHWSQXEVSA-N 1 2 334.449 0.416 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3cnns3)C2)CC1 ZINC001046013183 766641289 /nfs/dbraw/zinc/64/12/89/766641289.db2.gz UNCYKHMKOJBWNN-CHWSQXEVSA-N 1 2 334.449 0.416 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cn4c(n3)CCC4)CC2)C1 ZINC001046030613 766697958 /nfs/dbraw/zinc/69/79/58/766697958.db2.gz WGTDXVLPHSEBTG-CQSZACIVSA-N 1 2 328.420 0.185 20 30 ECEDLO CC(C)Cn1nccc1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046033558 766709651 /nfs/dbraw/zinc/70/96/51/766709651.db2.gz HPXJWXXCQDQVFI-INIZCTEOSA-N 1 2 344.463 0.895 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3ccnc4[nH]cnc43)CC2)C1 ZINC001046033857 766711015 /nfs/dbraw/zinc/71/10/15/766711015.db2.gz KSBNCSBZFAWVHM-CYBMUJFWSA-N 1 2 339.403 0.314 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001016687736 766731280 /nfs/dbraw/zinc/73/12/80/766731280.db2.gz JLXYGBVDNRABMW-CVSAEHQPSA-N 1 2 332.404 0.580 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cnc4cc[nH]c4c3)CC2)C1 ZINC001046039788 766744129 /nfs/dbraw/zinc/74/41/29/766744129.db2.gz XOXVTHMNDSUBMU-OAHLLOKOSA-N 1 2 338.415 0.919 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cncc4[nH]ccc43)CC2)C1 ZINC001046042060 766755333 /nfs/dbraw/zinc/75/53/33/766755333.db2.gz RNCNQXOSIGYFDS-AWEZNQCLSA-N 1 2 338.415 0.919 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 ZINC001106132837 766776043 /nfs/dbraw/zinc/77/60/43/766776043.db2.gz ASTSJISMJWAZSN-NHYWBVRUSA-N 1 2 328.376 0.444 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 ZINC001106132837 766776047 /nfs/dbraw/zinc/77/60/47/766776047.db2.gz ASTSJISMJWAZSN-NHYWBVRUSA-N 1 2 328.376 0.444 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(Cc3cnn(C)n3)C2)CC1 ZINC001046051656 766792433 /nfs/dbraw/zinc/79/24/33/766792433.db2.gz MHRYDUVQYIQGCV-MRXNPFEDSA-N 1 2 346.479 0.746 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3cnn(C)n3)C2)CC1 ZINC001046051656 766792438 /nfs/dbraw/zinc/79/24/38/766792438.db2.gz MHRYDUVQYIQGCV-MRXNPFEDSA-N 1 2 346.479 0.746 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCN([C@@H]2CC[N@H+](Cc3cnn(C)n3)C2)CC1 ZINC001046051656 766792444 /nfs/dbraw/zinc/79/24/44/766792444.db2.gz MHRYDUVQYIQGCV-MRXNPFEDSA-N 1 2 346.479 0.746 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(Cc3nnnn3C)C2)CC1 ZINC001046051814 766793012 /nfs/dbraw/zinc/79/30/12/766793012.db2.gz PFTIULVZFMMYFG-AWEZNQCLSA-N 1 2 347.467 0.141 20 30 ECEDLO COC1CCC(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)CC1 ZINC001046055533 766805360 /nfs/dbraw/zinc/80/53/60/766805360.db2.gz ZAQHNXOOVIKPQU-AQFXKWCLSA-N 1 2 334.464 0.934 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cnc(C4CC4)nc3)CC2)C1 ZINC001046068463 766862987 /nfs/dbraw/zinc/86/29/87/766862987.db2.gz LXRRXQJLBVEAGF-INIZCTEOSA-N 1 2 340.431 0.710 20 30 ECEDLO C#CCN1CC2(C1)C[C@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)CO2 ZINC001053807195 766897740 /nfs/dbraw/zinc/89/77/40/766897740.db2.gz DCVLLZAEQUYNIY-HNNXBMFYSA-N 1 2 328.416 0.355 20 30 ECEDLO N#CCN1CC2(C1)C[C@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)CO2 ZINC001053807239 766899775 /nfs/dbraw/zinc/89/97/75/766899775.db2.gz FSWXSZJTLXYTCG-AWEZNQCLSA-N 1 2 329.404 0.245 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)C[C@@H]3CCCCC(=O)N3)CC2)C1 ZINC001046081626 766919412 /nfs/dbraw/zinc/91/94/12/766919412.db2.gz NDYDSWAKVQNKPF-HOTGVXAUSA-N 1 2 347.463 0.177 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)COc3cccc(F)c3)CC2)C1 ZINC001046081652 766920293 /nfs/dbraw/zinc/92/02/93/766920293.db2.gz HRSUGSITWAELLB-MRXNPFEDSA-N 1 2 346.406 0.947 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3Cc4cccnc4C3)CC2)C1 ZINC001046082497 766921839 /nfs/dbraw/zinc/92/18/39/766921839.db2.gz XHGFBGYUJZDIOF-IAGOWNOFSA-N 1 2 339.443 0.538 20 30 ECEDLO CCc1ncncc1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046084280 766924096 /nfs/dbraw/zinc/92/40/96/766924096.db2.gz OVPXGXDNUCWQAE-CQSZACIVSA-N 1 2 328.420 0.395 20 30 ECEDLO CC[C@@H](F)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC(=O)NCC#N ZINC001099176611 766955565 /nfs/dbraw/zinc/95/55/65/766955565.db2.gz QSOZZCLRUUNIGC-QWHCGFSZSA-N 1 2 326.416 0.981 20 30 ECEDLO CC[C@@H](F)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC(=O)NCC#N ZINC001099176611 766955570 /nfs/dbraw/zinc/95/55/70/766955570.db2.gz QSOZZCLRUUNIGC-QWHCGFSZSA-N 1 2 326.416 0.981 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1cc(C3CC3)nn1)CO2 ZINC001053827411 766955837 /nfs/dbraw/zinc/95/58/37/766955837.db2.gz YRIACNHWWXHLGK-CQSZACIVSA-N 1 2 331.420 0.691 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnn3ncccc13)CO2 ZINC001053830892 766964745 /nfs/dbraw/zinc/96/47/45/766964745.db2.gz NZOZSXAGHRAQFE-CYBMUJFWSA-N 1 2 325.372 0.326 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc3[nH]c(=O)[nH]c31)CO2 ZINC001053831692 766967974 /nfs/dbraw/zinc/96/79/74/766967974.db2.gz MSISOIOVMHWSGM-LBPRGKRZSA-N 1 2 340.383 0.865 20 30 ECEDLO C=C(C)CN1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)CO2 ZINC001053853155 767026297 /nfs/dbraw/zinc/02/62/97/767026297.db2.gz XZOLTTCUSJSGQV-GJZGRUSLSA-N 1 2 330.432 0.981 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cn3cccnc3n1)CO2 ZINC001053855539 767035385 /nfs/dbraw/zinc/03/53/85/767035385.db2.gz PZJDIUKRAUSOEY-ZDUSSCGKSA-N 1 2 327.388 0.879 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1csc(NC(C)=O)n1)CO2 ZINC001053856555 767037607 /nfs/dbraw/zinc/03/76/07/767037607.db2.gz MZNOIXFBLFLEBC-GFCCVEGCSA-N 1 2 348.428 0.698 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001060756177 767042354 /nfs/dbraw/zinc/04/23/54/767042354.db2.gz FVYBQJZWSZHVSR-BZUAXINKSA-N 1 2 346.431 0.713 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c(OC)ccnc1OC)CO2 ZINC001053869969 767085092 /nfs/dbraw/zinc/08/50/92/767085092.db2.gz YYHVPGCUZYREIY-CYBMUJFWSA-N 1 2 345.399 0.695 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cn1ncc3cccnc31)CO2 ZINC001053873876 767100287 /nfs/dbraw/zinc/10/02/87/767100287.db2.gz LTJOMVZVPSQGAC-HNNXBMFYSA-N 1 2 341.415 0.967 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1nc(COC)no1 ZINC001127605411 767144614 /nfs/dbraw/zinc/14/46/14/767144614.db2.gz ZGMZIPXPJKFSTE-UPJWGTAASA-N 1 2 338.408 0.964 20 30 ECEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc(=O)n(CCOC)c2)C1 ZINC001031810142 767256078 /nfs/dbraw/zinc/25/60/78/767256078.db2.gz ZJWSMWLCPVFQRE-UHFFFAOYSA-N 1 2 339.823 0.909 20 30 ECEDLO Cn1nnc(C(=O)N[C@]2(C)CC[N@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC001046542771 767293265 /nfs/dbraw/zinc/29/32/65/767293265.db2.gz AXIUMZQPVHODFZ-QGZVFWFLSA-N 1 2 342.378 0.595 20 30 ECEDLO Cn1nnc(C(=O)N[C@]2(C)CC[N@@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC001046542771 767293267 /nfs/dbraw/zinc/29/32/67/767293267.db2.gz AXIUMZQPVHODFZ-QGZVFWFLSA-N 1 2 342.378 0.595 20 30 ECEDLO Cn1nnc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccc(C#N)cc3F)C2)n1 ZINC001046543260 767293877 /nfs/dbraw/zinc/29/38/77/767293877.db2.gz FICRGIZPCBCPOW-INIZCTEOSA-N 1 2 343.366 0.615 20 30 ECEDLO Cn1nnc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccc(C#N)cc3F)C2)n1 ZINC001046543260 767293879 /nfs/dbraw/zinc/29/38/79/767293879.db2.gz FICRGIZPCBCPOW-INIZCTEOSA-N 1 2 343.366 0.615 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1c[nH]nc1[C@@H]1CCCO1)CO2 ZINC001053904280 767310663 /nfs/dbraw/zinc/31/06/63/767310663.db2.gz JLXBYTNSEFYRNI-ZFWWWQNUSA-N 1 2 344.415 0.858 20 30 ECEDLO CN1C(=O)CC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001038592554 767318131 /nfs/dbraw/zinc/31/81/31/767318131.db2.gz NUTVHNGDZGWPCA-RISCZKNCSA-N 1 2 332.429 0.931 20 30 ECEDLO CN1C(=O)CC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001038592554 767318140 /nfs/dbraw/zinc/31/81/40/767318140.db2.gz NUTVHNGDZGWPCA-RISCZKNCSA-N 1 2 332.429 0.931 20 30 ECEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2ccc3nnnn3c2)C1 ZINC001031844374 767370162 /nfs/dbraw/zinc/37/01/62/767370162.db2.gz MLKZBXGUZPFEFO-UHFFFAOYSA-N 1 2 347.382 0.858 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1cncn1C)CO2 ZINC001053931043 767392631 /nfs/dbraw/zinc/39/26/31/767392631.db2.gz MPUSWYSLVNIVLO-RRFJBIMHSA-N 1 2 328.416 0.506 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C(=O)N1CCC[C@H](C)C1)CO2 ZINC001053948920 767430500 /nfs/dbraw/zinc/43/05/00/767430500.db2.gz URCIEELQOIXJEU-LSDHHAIUSA-N 1 2 335.448 0.781 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(=O)n(CC)n1)CO2 ZINC001053959685 767455600 /nfs/dbraw/zinc/45/56/00/767455600.db2.gz FMXSOYKFPYAAEY-CYBMUJFWSA-N 1 2 332.404 0.412 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060463458 767485693 /nfs/dbraw/zinc/48/56/93/767485693.db2.gz WANVWLNHEKZVMZ-SUMWQHHRSA-N 1 2 334.420 0.634 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnn(C)c1C(F)F)CO2 ZINC001053978835 767515419 /nfs/dbraw/zinc/51/54/19/767515419.db2.gz ZGBVKUBRENAFJL-LLVKDONJSA-N 1 2 338.358 0.954 20 30 ECEDLO Cn1nnnc1C[N@H+](C)C[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001017092625 767574814 /nfs/dbraw/zinc/57/48/14/767574814.db2.gz IFJCDMONACQTOP-GFCCVEGCSA-N 1 2 342.407 0.394 20 30 ECEDLO Cn1nnnc1C[N@@H+](C)C[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001017092625 767574821 /nfs/dbraw/zinc/57/48/21/767574821.db2.gz IFJCDMONACQTOP-GFCCVEGCSA-N 1 2 342.407 0.394 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1c(C)nc(C)[nH]c1=O)CO2 ZINC001054006136 767575596 /nfs/dbraw/zinc/57/55/96/767575596.db2.gz TUUMXQFBTNTYQO-CQSZACIVSA-N 1 2 344.415 0.324 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ncc3n1CCCC3)CO2 ZINC001054012362 767596149 /nfs/dbraw/zinc/59/61/49/767596149.db2.gz BMGDBLOUKMFTGB-AWEZNQCLSA-N 1 2 328.416 0.816 20 30 ECEDLO Cn1nnnc1C[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001017107027 767596604 /nfs/dbraw/zinc/59/66/04/767596604.db2.gz NEVYSVSCQLQUSX-LBPRGKRZSA-N 1 2 342.407 0.394 20 30 ECEDLO Cn1nnnc1C[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001017107027 767596610 /nfs/dbraw/zinc/59/66/10/767596610.db2.gz NEVYSVSCQLQUSX-LBPRGKRZSA-N 1 2 342.407 0.394 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C1CC1)N1CCOCC1)CO2 ZINC001054013705 767598924 /nfs/dbraw/zinc/59/89/24/767598924.db2.gz ZHHFJPCYYGRJHY-IRXDYDNUSA-N 1 2 349.475 0.633 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1csc(COC)n1)CO2 ZINC001054021713 767616895 /nfs/dbraw/zinc/61/68/95/767616895.db2.gz SHLYSKPBOSKQHP-LBPRGKRZSA-N 1 2 335.429 0.886 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3c(C)noc3CC)C2)nn1 ZINC001098780380 767634955 /nfs/dbraw/zinc/63/49/55/767634955.db2.gz UOUKTEORWRDTSA-AWEZNQCLSA-N 1 2 342.403 0.947 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCNC(=O)C1 ZINC001054036088 767635576 /nfs/dbraw/zinc/63/55/76/767635576.db2.gz BTDMVUBETXPJSW-RDJZCZTQSA-N 1 2 325.412 0.689 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CCNC(=O)C1 ZINC001054036088 767635579 /nfs/dbraw/zinc/63/55/79/767635579.db2.gz BTDMVUBETXPJSW-RDJZCZTQSA-N 1 2 325.412 0.689 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(=O)n(C)cn1 ZINC001054043002 767642154 /nfs/dbraw/zinc/64/21/54/767642154.db2.gz MYQBZIGRHIJPQO-MRXNPFEDSA-N 1 2 336.395 0.570 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(=O)n(C)cn1 ZINC001054043002 767642159 /nfs/dbraw/zinc/64/21/59/767642159.db2.gz MYQBZIGRHIJPQO-MRXNPFEDSA-N 1 2 336.395 0.570 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2csc(C#N)c2)[C@H](C)C1 ZINC000914395052 767646048 /nfs/dbraw/zinc/64/60/48/767646048.db2.gz AFAMMUPXCXYDSG-VXGBXAGGSA-N 1 2 343.474 0.836 20 30 ECEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2csc(C#N)c2)[C@H](C)C1 ZINC000914395052 767646052 /nfs/dbraw/zinc/64/60/52/767646052.db2.gz AFAMMUPXCXYDSG-VXGBXAGGSA-N 1 2 343.474 0.836 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001054057761 767655942 /nfs/dbraw/zinc/65/59/42/767655942.db2.gz RQJLNMZRSXFSEM-MRXNPFEDSA-N 1 2 336.395 0.904 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001054057761 767655947 /nfs/dbraw/zinc/65/59/47/767655947.db2.gz RQJLNMZRSXFSEM-MRXNPFEDSA-N 1 2 336.395 0.904 20 30 ECEDLO C=CCn1cc(C(=O)NC2C[NH+](C[C@H](O)Cc3ccccc3)C2)nn1 ZINC001031070067 767804509 /nfs/dbraw/zinc/80/45/09/767804509.db2.gz NAIYWZTWMVCWIX-MRXNPFEDSA-N 1 2 341.415 0.482 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1nnc2c1CCCC2 ZINC001017959021 768552906 /nfs/dbraw/zinc/55/29/06/768552906.db2.gz OFJFEOVNPUYGQM-GASCZTMLSA-N 1 2 327.432 0.855 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1nnc2c1CCCC2 ZINC001017959021 768552908 /nfs/dbraw/zinc/55/29/08/768552908.db2.gz OFJFEOVNPUYGQM-GASCZTMLSA-N 1 2 327.432 0.855 20 30 ECEDLO N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001018014866 768615330 /nfs/dbraw/zinc/61/53/30/768615330.db2.gz PFOBVRQETOGRFC-IYBDPMFKSA-N 1 2 332.448 0.830 20 30 ECEDLO N#Cc1nccnc1N[C@@H]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]12 ZINC001060542105 768673306 /nfs/dbraw/zinc/67/33/06/768673306.db2.gz YQVXAWNVFPBHNO-FRRDWIJNSA-N 1 2 337.387 0.963 20 30 ECEDLO C[C@H]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001018069603 768683794 /nfs/dbraw/zinc/68/37/94/768683794.db2.gz LEMSSFAMAFOSQF-WCQYABFASA-N 1 2 340.387 0.961 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001055313741 768770111 /nfs/dbraw/zinc/77/01/11/768770111.db2.gz DBNKZGUDBIUUTK-SOUVJXGZSA-N 1 2 346.431 0.850 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC001055324968 768783181 /nfs/dbraw/zinc/78/31/81/768783181.db2.gz KYQXWDYKJFDQNV-GASCZTMLSA-N 1 2 328.416 0.539 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC001055338535 768795073 /nfs/dbraw/zinc/79/50/73/768795073.db2.gz VIRBCTRAFMABAA-SOUVJXGZSA-N 1 2 344.415 0.216 20 30 ECEDLO N#Cc1cncc(N[C@@H]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]23)n1 ZINC001060558526 768812676 /nfs/dbraw/zinc/81/26/76/768812676.db2.gz ZQPAFIMXOAYXJA-KCPJHIHWSA-N 1 2 337.387 0.963 20 30 ECEDLO C=CCCOCC(=O)N1C[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001055376474 768832617 /nfs/dbraw/zinc/83/26/17/768832617.db2.gz GRZCWLWEUHVBOH-GASCZTMLSA-N 1 2 346.431 0.852 20 30 ECEDLO C=CCCOCC(=O)N1C[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001055376474 768832631 /nfs/dbraw/zinc/83/26/31/768832631.db2.gz GRZCWLWEUHVBOH-GASCZTMLSA-N 1 2 346.431 0.852 20 30 ECEDLO CC(C)(C)C#CC(=O)NC1CC[NH+](CCNC(=O)c2nnc[nH]2)CC1 ZINC001055613087 769253751 /nfs/dbraw/zinc/25/37/51/769253751.db2.gz AGPDWXBNBYLKHL-UHFFFAOYSA-N 1 2 346.435 0.165 20 30 ECEDLO CC(C)(C)C#CC(=O)NC1CC[NH+](CCNC(=O)c2ncn[nH]2)CC1 ZINC001055613087 769253757 /nfs/dbraw/zinc/25/37/57/769253757.db2.gz AGPDWXBNBYLKHL-UHFFFAOYSA-N 1 2 346.435 0.165 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+](Cc3cnnn3C)[C@@H]2C)c1 ZINC000993773371 769597212 /nfs/dbraw/zinc/59/72/12/769597212.db2.gz QITAYGATCSFSEU-CXAGYDPISA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cnnn3C)[C@@H]2C)c1 ZINC000993773371 769597221 /nfs/dbraw/zinc/59/72/21/769597221.db2.gz QITAYGATCSFSEU-CXAGYDPISA-N 1 2 338.415 0.974 20 30 ECEDLO C#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001055911206 770183032 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N#Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CCNC(=O)C3)C2)ccc1F ZINC001031614029 771448559 /nfs/dbraw/zinc/44/85/59/771448559.db2.gz VHPONZDMOKMBTB-CQSZACIVSA-N 1 2 344.390 0.772 20 30 ECEDLO C#CCCCC(=O)N1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001056636824 771454092 /nfs/dbraw/zinc/45/40/92/771454092.db2.gz GHIWGLPVPRXKLW-BBWFWOEESA-N 1 2 347.459 0.570 20 30 ECEDLO C#CCCCC(=O)N1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001056636824 771454094 /nfs/dbraw/zinc/45/40/94/771454094.db2.gz GHIWGLPVPRXKLW-BBWFWOEESA-N 1 2 347.459 0.570 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031620968 771479261 /nfs/dbraw/zinc/47/92/61/771479261.db2.gz DLIZMLZISVYDFG-QGZVFWFLSA-N 1 2 328.416 0.437 20 30 ECEDLO N#Cc1nccc(N[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)n1 ZINC001056724861 771559914 /nfs/dbraw/zinc/55/99/14/771559914.db2.gz PFJOLVAEPMHDIV-QWHCGFSZSA-N 1 2 337.387 0.242 20 30 ECEDLO N#Cc1cnc(N[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)cn1 ZINC001056727189 771562320 /nfs/dbraw/zinc/56/23/20/771562320.db2.gz OBFFNDDYFQLQJU-QWHCGFSZSA-N 1 2 337.387 0.820 20 30 ECEDLO C=C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1)c1ccccc1 ZINC001019804845 771818592 /nfs/dbraw/zinc/81/85/92/771818592.db2.gz KLNGZKDQLJDGMJ-LSDHHAIUSA-N 1 2 341.415 0.769 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2OCCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001019881270 771953359 /nfs/dbraw/zinc/95/33/59/771953359.db2.gz ASZWALSVCHHIJK-HZPDHXFCSA-N 1 2 342.399 0.194 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](N(C)c2ccnc(C#N)n2)C1 ZINC001057046928 771992775 /nfs/dbraw/zinc/99/27/75/771992775.db2.gz JUFXZXSCFPAOSN-GXTWGEPZSA-N 1 2 339.403 0.987 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](N(C)c2ccnc(C#N)n2)C1 ZINC001057046928 771992777 /nfs/dbraw/zinc/99/27/77/771992777.db2.gz JUFXZXSCFPAOSN-GXTWGEPZSA-N 1 2 339.403 0.987 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCCN(c2ccc(C#N)nn2)CC1 ZINC001057157872 772188603 /nfs/dbraw/zinc/18/86/03/772188603.db2.gz 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ZINC001058463732 774232959 /nfs/dbraw/zinc/23/29/59/774232959.db2.gz GQAKMOOSNVQIIV-CYBMUJFWSA-N 1 2 336.436 0.800 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N(CCO)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001058466428 774239482 /nfs/dbraw/zinc/23/94/82/774239482.db2.gz NZDCMEFYWOATBW-AWEZNQCLSA-N 1 2 336.436 0.882 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N(CCO)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001058466428 774239484 /nfs/dbraw/zinc/23/94/84/774239484.db2.gz NZDCMEFYWOATBW-AWEZNQCLSA-N 1 2 336.436 0.882 20 30 ECEDLO N#Cc1cncc(N2CC[C@H](NC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)n1 ZINC001058474498 774256812 /nfs/dbraw/zinc/25/68/12/774256812.db2.gz JDZCIZHXCVCUTI-OLZOCXBDSA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1cncc(N2CC[C@@H](NC(=O)[C@H]3CCc4[nH+]ccn4C3)C2)n1 ZINC001058481028 774271478 /nfs/dbraw/zinc/27/14/78/774271478.db2.gz HIVFLIJCNJRVBB-QWHCGFSZSA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)nn1 ZINC001058481156 774271619 /nfs/dbraw/zinc/27/16/19/774271619.db2.gz KRUHCMKPLVDXOF-OCCSQVGLSA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1nccc(N2CC[C@@H](NC(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)n1 ZINC001058481124 774271691 /nfs/dbraw/zinc/27/16/91/774271691.db2.gz JXOMZSMVYFQJQP-CHWSQXEVSA-N 1 2 337.387 0.502 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N[C@H]2CCN(c3cnc(C#N)cn3)C2)c[nH+]1 ZINC001058584407 774477758 /nfs/dbraw/zinc/47/77/58/774477758.db2.gz MZCHARQTGVRYMW-ZDUSSCGKSA-N 1 2 339.403 0.983 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001044985286 774800870 /nfs/dbraw/zinc/80/08/70/774800870.db2.gz JARBAUCAWIHKBJ-KBPBESRZSA-N 1 2 334.420 0.421 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001044985289 774801071 /nfs/dbraw/zinc/80/10/71/774801071.db2.gz JARBAUCAWIHKBJ-UONOGXRCSA-N 1 2 334.420 0.421 20 30 ECEDLO CN(C)c1noc(C[NH2+]C[C@@H]2CCCN2C(=O)c2ccc(C#N)[nH]2)n1 ZINC001045000227 774817432 /nfs/dbraw/zinc/81/74/32/774817432.db2.gz ATJMTDAZVSWVTI-LBPRGKRZSA-N 1 2 343.391 0.730 20 30 ECEDLO C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001045068248 774926784 /nfs/dbraw/zinc/92/67/84/774926784.db2.gz CBVZARPUSZEKSD-CQSZACIVSA-N 1 2 334.420 0.565 20 30 ECEDLO Cn1cc(C[NH+]2CCC(C)(NC(=O)c3c[nH]c(C#N)c3)CC2)nn1 ZINC001045411641 775557625 /nfs/dbraw/zinc/55/76/25/775557625.db2.gz NXSJQZPUXPHXBD-UHFFFAOYSA-N 1 2 327.392 0.799 20 30 ECEDLO CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCCCS2(=O)=O)CC1 ZINC001045460705 775643789 /nfs/dbraw/zinc/64/37/89/775643789.db2.gz IREPPLHZPLFVJG-AWEZNQCLSA-N 1 2 326.462 0.948 20 30 ECEDLO N#Cc1nccc(N[C@@H]2CCCC[C@H]2NC(=O)Cn2cc[nH+]c2)n1 ZINC001045511858 775716341 /nfs/dbraw/zinc/71/63/41/775716341.db2.gz IHUOHIIVYZEGDP-CHWSQXEVSA-N 1 2 325.376 0.506 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001044404902 776279864 /nfs/dbraw/zinc/27/98/64/776279864.db2.gz MMGSVODYSVJJEL-UHFFFAOYSA-N 1 2 348.447 0.645 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H](CNc2nccnc2C#N)C1 ZINC001068510453 790443154 /nfs/dbraw/zinc/44/31/54/790443154.db2.gz HQZIZHZLUPCILS-HAQNSBGRSA-N 1 2 325.376 0.929 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001044667230 776608789 /nfs/dbraw/zinc/60/87/89/776608789.db2.gz RJPPNEOSFUPXTQ-UHFFFAOYSA-N 1 2 348.447 0.645 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001079777406 776854712 /nfs/dbraw/zinc/85/47/12/776854712.db2.gz ZBSNTQICJKAOOH-UONOGXRCSA-N 1 2 346.431 0.686 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001079777406 776854722 /nfs/dbraw/zinc/85/47/22/776854722.db2.gz ZBSNTQICJKAOOH-UONOGXRCSA-N 1 2 346.431 0.686 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001079852473 776979876 /nfs/dbraw/zinc/97/98/76/776979876.db2.gz KMZZWMMEGHHKNY-FZKQIMNGSA-N 1 2 348.447 0.975 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001079852473 776979882 /nfs/dbraw/zinc/97/98/82/776979882.db2.gz KMZZWMMEGHHKNY-FZKQIMNGSA-N 1 2 348.447 0.975 20 30 ECEDLO C=CCOCC(=O)N1CC(N(CC)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001080001109 777213895 /nfs/dbraw/zinc/21/38/95/777213895.db2.gz VEFIGLVBVCVDQE-AWEZNQCLSA-N 1 2 346.431 0.707 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080279215 777640218 /nfs/dbraw/zinc/64/02/18/777640218.db2.gz MUTRMLIZKZQNAF-QMTHXVAHSA-N 1 2 343.366 0.471 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080279215 777640220 /nfs/dbraw/zinc/64/02/20/777640220.db2.gz MUTRMLIZKZQNAF-QMTHXVAHSA-N 1 2 343.366 0.471 20 30 ECEDLO C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001043187591 777912330 /nfs/dbraw/zinc/91/23/30/777912330.db2.gz KRQFISIBPQJPQJ-UHFFFAOYSA-N 1 2 346.431 0.731 20 30 ECEDLO C=CC(C)(C)CC(=O)NCC1(O)CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001043205652 777955492 /nfs/dbraw/zinc/95/54/92/777955492.db2.gz HRZDUXWFUQNNFG-UHFFFAOYSA-N 1 2 334.420 0.634 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(COC)cc2)[C@@H](n2ccnn2)C1 ZINC001070093867 790580883 /nfs/dbraw/zinc/58/08/83/790580883.db2.gz KWRAKJRLYKKNAL-SJORKVTESA-N 1 2 339.399 0.713 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(COC)cc2)[C@@H](n2ccnn2)C1 ZINC001070093867 790580893 /nfs/dbraw/zinc/58/08/93/790580893.db2.gz KWRAKJRLYKKNAL-SJORKVTESA-N 1 2 339.399 0.713 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2ccc(C)nc2)[C@@H](n2ccnn2)C1 ZINC001070096208 790590889 /nfs/dbraw/zinc/59/08/89/790590889.db2.gz NHZSVJMPVVQNEP-SJORKVTESA-N 1 2 338.415 0.589 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2ccc(C)nc2)[C@@H](n2ccnn2)C1 ZINC001070096208 790590896 /nfs/dbraw/zinc/59/08/96/790590896.db2.gz NHZSVJMPVVQNEP-SJORKVTESA-N 1 2 338.415 0.589 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1Nc1cncc(C#N)n1 ZINC001043283953 778092789 /nfs/dbraw/zinc/09/27/89/778092789.db2.gz WWCFFQXCICDCGT-IUODEOHRSA-N 1 2 339.403 0.973 20 30 ECEDLO C#CCCCCCC(=O)N1CC(O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001043527366 778473342 /nfs/dbraw/zinc/47/33/42/778473342.db2.gz OLKJXPHUKNKWBP-UHFFFAOYSA-N 1 2 346.431 0.616 20 30 ECEDLO C#CCCCCCC(=O)N1CC(O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001043527366 778473343 /nfs/dbraw/zinc/47/33/43/778473343.db2.gz OLKJXPHUKNKWBP-UHFFFAOYSA-N 1 2 346.431 0.616 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CC[C@@H](C)CC)C1 ZINC001043646340 778659431 /nfs/dbraw/zinc/65/94/31/778659431.db2.gz CFQJZFCITFAGMO-HOTGVXAUSA-N 1 2 349.475 0.600 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CC[C@@H](C)CC)C1 ZINC001043646340 778659434 /nfs/dbraw/zinc/65/94/34/778659434.db2.gz CFQJZFCITFAGMO-HOTGVXAUSA-N 1 2 349.475 0.600 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CCC(=C)C)C1 ZINC001043650238 778667484 /nfs/dbraw/zinc/66/74/84/778667484.db2.gz SVNBDYDIYHDBJR-HNNXBMFYSA-N 1 2 333.432 0.130 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CCC(=C)C)C1 ZINC001043650238 778667486 /nfs/dbraw/zinc/66/74/86/778667486.db2.gz SVNBDYDIYHDBJR-HNNXBMFYSA-N 1 2 333.432 0.130 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CCC2CCC2)C1 ZINC001043651060 778668908 /nfs/dbraw/zinc/66/89/08/778668908.db2.gz ZGXZYUXAXOYDKH-INIZCTEOSA-N 1 2 347.459 0.354 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CCC2CCC2)C1 ZINC001043651060 778668911 /nfs/dbraw/zinc/66/89/11/778668911.db2.gz ZGXZYUXAXOYDKH-INIZCTEOSA-N 1 2 347.459 0.354 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H](C)CC(=C)C)C1 ZINC001043652130 778670862 /nfs/dbraw/zinc/67/08/62/778670862.db2.gz SBZQLCVOSOWGPP-HOTGVXAUSA-N 1 2 347.459 0.376 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H](C)CC(=C)C)C1 ZINC001043652130 778670866 /nfs/dbraw/zinc/67/08/66/778670866.db2.gz SBZQLCVOSOWGPP-HOTGVXAUSA-N 1 2 347.459 0.376 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001043672844 778698024 /nfs/dbraw/zinc/69/80/24/778698024.db2.gz ASOKUVDGMSPCMW-CHWSQXEVSA-N 1 2 346.431 0.805 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001043672844 778698028 /nfs/dbraw/zinc/69/80/28/778698028.db2.gz ASOKUVDGMSPCMW-CHWSQXEVSA-N 1 2 346.431 0.805 20 30 ECEDLO C=CCCCC(=O)N1CC(O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001043696762 778738358 /nfs/dbraw/zinc/73/83/58/778738358.db2.gz FNOOMBZQCAERDR-UHFFFAOYSA-N 1 2 334.420 0.709 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[C@H](CNC(=O)CCn1cc[nH+]c1)O2 ZINC001068596886 790669742 /nfs/dbraw/zinc/66/97/42/790669742.db2.gz JHYDPWJKWCHVQL-ZIAGYGMSSA-N 1 2 345.403 0.309 20 30 ECEDLO CC#CCCCC(=O)NCC1(NC(=O)Cn2cc[nH+]c2)CCOCC1 ZINC001070159186 790784213 /nfs/dbraw/zinc/78/42/13/790784213.db2.gz SIEDDVTXPLVXAC-UHFFFAOYSA-N 1 2 346.431 0.858 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2nccs2)[C@@H](n2ccnn2)C1 ZINC001070159571 790786778 /nfs/dbraw/zinc/78/67/78/790786778.db2.gz IOVBRTXGLVZLCF-TUAOUCFPSA-N 1 2 331.405 0.436 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cncn2C)C1 ZINC001079138225 780803005 /nfs/dbraw/zinc/80/30/05/780803005.db2.gz UMXWEAQSXFOFBZ-QZTJIDSGSA-N 1 2 338.411 0.741 20 30 ECEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cncn2C)C1 ZINC001079138225 780803012 /nfs/dbraw/zinc/80/30/12/780803012.db2.gz UMXWEAQSXFOFBZ-QZTJIDSGSA-N 1 2 338.411 0.741 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC2(CCN(CC#N)CC2)[C@H]2COC[C@H]21 ZINC001079271156 780947014 /nfs/dbraw/zinc/94/70/14/780947014.db2.gz JGLAXPDQNJNFKY-GOEBONIOSA-N 1 2 343.431 0.724 20 30 ECEDLO CCN(C(=O)CSCC#N)C1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001079343389 781007137 /nfs/dbraw/zinc/00/71/37/781007137.db2.gz FRRZDQCSLHNCAS-GFCCVEGCSA-N 1 2 349.460 0.904 20 30 ECEDLO CCN(C(=O)CSCC#N)C1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001079343389 781007143 /nfs/dbraw/zinc/00/71/43/781007143.db2.gz FRRZDQCSLHNCAS-GFCCVEGCSA-N 1 2 349.460 0.904 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@H](C)c2n[nH]c(C)n2)C1 ZINC001042961076 781104032 /nfs/dbraw/zinc/10/40/32/781104032.db2.gz XMNLBHNTEJONPY-DOMZBBRYSA-N 1 2 330.436 0.414 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@H](C)c2n[nH]c(C)n2)C1 ZINC001042961076 781104037 /nfs/dbraw/zinc/10/40/37/781104037.db2.gz XMNLBHNTEJONPY-DOMZBBRYSA-N 1 2 330.436 0.414 20 30 ECEDLO CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001042970820 781119341 /nfs/dbraw/zinc/11/93/41/781119341.db2.gz YQEUEWBFHJSPHW-UHFFFAOYSA-N 1 2 332.404 0.012 20 30 ECEDLO C=CCOCC(=O)N(CC)C1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001079493109 781179925 /nfs/dbraw/zinc/17/99/25/781179925.db2.gz YLLDZNRLMYLXFN-AWEZNQCLSA-N 1 2 346.431 0.707 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccnc(C)n2)C[C@H]1OC ZINC001043017702 781188475 /nfs/dbraw/zinc/18/84/75/781188475.db2.gz INTFAADOMVBBEY-OWCLPIDISA-N 1 2 343.431 0.202 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccnc(C)n2)C[C@H]1OC ZINC001043017702 781188477 /nfs/dbraw/zinc/18/84/77/781188477.db2.gz INTFAADOMVBBEY-OWCLPIDISA-N 1 2 343.431 0.202 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NCC[C@H](C)NC(=O)c1c[nH]c(C#N)c1 ZINC001077677372 781486419 /nfs/dbraw/zinc/48/64/19/781486419.db2.gz JXYHOCKTDFPOHJ-JTQLQIEISA-N 1 2 328.376 0.785 20 30 ECEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001077695722 781532886 /nfs/dbraw/zinc/53/28/86/781532886.db2.gz AQDZXFPXFMUDEE-QZKOUSHUSA-N 1 2 335.429 0.706 20 30 ECEDLO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001077695722 781532891 /nfs/dbraw/zinc/53/28/91/781532891.db2.gz AQDZXFPXFMUDEE-QZKOUSHUSA-N 1 2 335.429 0.706 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2C(F)(F)F)C1 ZINC001077738238 781625465 /nfs/dbraw/zinc/62/54/65/781625465.db2.gz RGOUIWOBHTUCHI-VXGBXAGGSA-N 1 2 327.306 0.899 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccnc2C(F)(F)F)C1 ZINC001077738238 781625467 /nfs/dbraw/zinc/62/54/67/781625467.db2.gz RGOUIWOBHTUCHI-VXGBXAGGSA-N 1 2 327.306 0.899 20 30 ECEDLO N#Cc1cnc(NC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CCCO2)cn1 ZINC001041511073 781669958 /nfs/dbraw/zinc/66/99/58/781669958.db2.gz WPBKURCKARNBDQ-CYBMUJFWSA-N 1 2 341.375 0.343 20 30 ECEDLO N#Cc1cncc(NC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CCCO2)n1 ZINC001041533620 781716315 /nfs/dbraw/zinc/71/63/15/781716315.db2.gz CTTRMMSADTXBMC-AWEZNQCLSA-N 1 2 341.375 0.343 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccnc3C)C[C@H]2O)nn1 ZINC001077802312 781723291 /nfs/dbraw/zinc/72/32/91/781723291.db2.gz BCWDSVBNQRENED-GDBMZVCRSA-N 1 2 342.403 0.143 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccnc3C)C[C@H]2O)nn1 ZINC001077802312 781723293 /nfs/dbraw/zinc/72/32/93/781723293.db2.gz BCWDSVBNQRENED-GDBMZVCRSA-N 1 2 342.403 0.143 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@H]2O)nn1 ZINC001077802564 781723333 /nfs/dbraw/zinc/72/33/33/781723333.db2.gz NRSNLFOTMZTFLW-GDBMZVCRSA-N 1 2 345.378 0.578 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3F)C[C@H]2O)nn1 ZINC001077802564 781723336 /nfs/dbraw/zinc/72/33/36/781723336.db2.gz NRSNLFOTMZTFLW-GDBMZVCRSA-N 1 2 345.378 0.578 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cnccc3C)C[C@H]2O)nn1 ZINC001077802770 781724366 /nfs/dbraw/zinc/72/43/66/781724366.db2.gz YOHJBBXZGSFPRH-GDBMZVCRSA-N 1 2 342.403 0.143 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cnccc3C)C[C@H]2O)nn1 ZINC001077802770 781724369 /nfs/dbraw/zinc/72/43/69/781724369.db2.gz YOHJBBXZGSFPRH-GDBMZVCRSA-N 1 2 342.403 0.143 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@H]1O ZINC001077821982 781758960 /nfs/dbraw/zinc/75/89/60/781758960.db2.gz RHTYLDOKEGDGTJ-SVGFKBNWSA-N 1 2 349.431 0.934 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@H]1O ZINC001077821982 781758966 /nfs/dbraw/zinc/75/89/66/781758966.db2.gz RHTYLDOKEGDGTJ-SVGFKBNWSA-N 1 2 349.431 0.934 20 30 ECEDLO N#CCN[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1n1ccnn1 ZINC001070231804 783705529 /nfs/dbraw/zinc/70/55/29/783705529.db2.gz NOXXAJFJMBJJEL-OCCSQVGLSA-N 1 2 336.359 0.105 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H]([NH2+]Cc2nncn2C)[C@@H](n2ccnn2)C1 ZINC001070252264 783745590 /nfs/dbraw/zinc/74/55/90/783745590.db2.gz YBZJDGCIZPOULW-OLZOCXBDSA-N 1 2 344.423 0.161 20 30 ECEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2COCCO2)cc1C#N ZINC001038058831 783804190 /nfs/dbraw/zinc/80/41/90/783804190.db2.gz QJCYIQPVCCAMSY-WBVHZDCISA-N 1 2 345.399 0.673 20 30 ECEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2COCCO2)cc1C#N ZINC001038058831 783804201 /nfs/dbraw/zinc/80/42/01/783804201.db2.gz QJCYIQPVCCAMSY-WBVHZDCISA-N 1 2 345.399 0.673 20 30 ECEDLO N#CCN1Cc2cnn(C3CCN(C(=O)Cc4c[nH+]c[nH]4)CC3)c2C1 ZINC001070348854 783855764 /nfs/dbraw/zinc/85/57/64/783855764.db2.gz JLMCVMITUDUHFN-UHFFFAOYSA-N 1 2 339.403 0.852 20 30 ECEDLO C#CCN1Cc2cnn(C3CCN(C(=O)Cn4cc[nH+]c4)CC3)c2C1 ZINC001070351274 783861403 /nfs/dbraw/zinc/86/14/03/783861403.db2.gz PTTYWCKTOLCQBK-UHFFFAOYSA-N 1 2 338.415 0.892 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)c2cncc(C)c2)C1=O ZINC001038126154 783887062 /nfs/dbraw/zinc/88/70/62/783887062.db2.gz OZFFMRFRIYFXFM-CVEARBPZSA-N 1 2 328.416 0.981 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)c2cncc(C)c2)C1=O ZINC001038126154 783887071 /nfs/dbraw/zinc/88/70/71/783887071.db2.gz OZFFMRFRIYFXFM-CVEARBPZSA-N 1 2 328.416 0.981 20 30 ECEDLO CC#CC[NH+]1CC2(C1)CN(C(=O)c1cocn1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070441973 784083012 /nfs/dbraw/zinc/08/30/12/784083012.db2.gz AJIUYOHJPOMORS-CYBMUJFWSA-N 1 2 340.387 0.666 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC1(F)F)C[C@@H]2c1nnc(C)[nH]1 ZINC001070443871 784091243 /nfs/dbraw/zinc/09/12/43/784091243.db2.gz BLGHSFNEMSSTKD-NWDGAFQWSA-N 1 2 335.358 0.629 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@]1(F)CCOC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070447208 784101644 /nfs/dbraw/zinc/10/16/44/784101644.db2.gz FWIUZFGCOXKKHE-GUYCJALGSA-N 1 2 347.394 0.103 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@@H](F)C(C)C)C[C@H]2c1nnc(C)[nH]1 ZINC001070448606 784104826 /nfs/dbraw/zinc/10/48/26/784104826.db2.gz ZNEDGMRDWKTTMQ-KBPBESRZSA-N 1 2 333.411 0.968 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1oncc1C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070450450 784109958 /nfs/dbraw/zinc/10/99/58/784109958.db2.gz FURQTQLYTDOXPM-CYBMUJFWSA-N 1 2 340.387 0.584 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2(CF)CC2)C1 ZINC001070919807 784114878 /nfs/dbraw/zinc/11/48/78/784114878.db2.gz VGZINODUJCJAHP-ZNMIVQPWSA-N 1 2 349.406 0.865 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C2(CF)CC2)C1 ZINC001070919807 784114886 /nfs/dbraw/zinc/11/48/86/784114886.db2.gz VGZINODUJCJAHP-ZNMIVQPWSA-N 1 2 349.406 0.865 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001070932673 784147109 /nfs/dbraw/zinc/14/71/09/784147109.db2.gz BNXIFZVAFLEHLD-HZPDHXFCSA-N 1 2 346.431 0.809 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)Cc2nnc(C)o2)CC1 ZINC001070961010 784235833 /nfs/dbraw/zinc/23/58/33/784235833.db2.gz HTAVPXBMQFMLCB-UHFFFAOYSA-N 1 2 335.408 0.147 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)Cc2nnc(C)o2)CC1 ZINC001070961010 784235840 /nfs/dbraw/zinc/23/58/40/784235840.db2.gz HTAVPXBMQFMLCB-UHFFFAOYSA-N 1 2 335.408 0.147 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2n[nH]c3c2CCC3)CC1 ZINC001070977658 784295799 /nfs/dbraw/zinc/29/57/99/784295799.db2.gz ATHUGGDELGPQQL-UHFFFAOYSA-N 1 2 345.447 0.739 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2n[nH]c3c2CCC3)CC1 ZINC001070977658 784295804 /nfs/dbraw/zinc/29/58/04/784295804.db2.gz ATHUGGDELGPQQL-UHFFFAOYSA-N 1 2 345.447 0.739 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccnnc2C)CC1 ZINC001070977914 784297513 /nfs/dbraw/zinc/29/75/13/784297513.db2.gz PQTLVDXPISDWLG-UHFFFAOYSA-N 1 2 329.404 0.072 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccnnc2C)CC1 ZINC001070977914 784297516 /nfs/dbraw/zinc/29/75/16/784297516.db2.gz PQTLVDXPISDWLG-UHFFFAOYSA-N 1 2 329.404 0.072 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@H](C)c2cnn(C)c2)CC1 ZINC001070979898 784304400 /nfs/dbraw/zinc/30/44/00/784304400.db2.gz DVIVWUJMGPNVOA-HNNXBMFYSA-N 1 2 347.463 0.750 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C[C@H](C)c2cnn(C)c2)CC1 ZINC001070979898 784304408 /nfs/dbraw/zinc/30/44/08/784304408.db2.gz DVIVWUJMGPNVOA-HNNXBMFYSA-N 1 2 347.463 0.750 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2ncccc2F)CC1 ZINC001070992603 784345735 /nfs/dbraw/zinc/34/57/35/784345735.db2.gz PUWFTYVYRGZHCO-UHFFFAOYSA-N 1 2 334.395 0.600 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2ncccc2F)CC1 ZINC001070992603 784345743 /nfs/dbraw/zinc/34/57/43/784345743.db2.gz PUWFTYVYRGZHCO-UHFFFAOYSA-N 1 2 334.395 0.600 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)Cn2cc(Cl)cn2)CC1 ZINC001071006148 784387550 /nfs/dbraw/zinc/38/75/50/784387550.db2.gz XDLICXCCQYAYJX-UHFFFAOYSA-N 1 2 339.827 0.373 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)Cn2cc(Cl)cn2)CC1 ZINC001071006148 784387560 /nfs/dbraw/zinc/38/75/60/784387560.db2.gz XDLICXCCQYAYJX-UHFFFAOYSA-N 1 2 339.827 0.373 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cccc(OC)n2)CC1 ZINC001071012925 784411612 /nfs/dbraw/zinc/41/16/12/784411612.db2.gz KPUYRSSBYAINMS-UHFFFAOYSA-N 1 2 344.415 0.378 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cccc(OC)n2)CC1 ZINC001071012925 784411618 /nfs/dbraw/zinc/41/16/18/784411618.db2.gz KPUYRSSBYAINMS-UHFFFAOYSA-N 1 2 344.415 0.378 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@]23CCOC3)CC1 ZINC001071014184 784415124 /nfs/dbraw/zinc/41/51/24/784415124.db2.gz CQBUNFCLUVKSCI-MAUKXSAKSA-N 1 2 335.448 0.640 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@]23CCOC3)CC1 ZINC001071014184 784415130 /nfs/dbraw/zinc/41/51/30/784415130.db2.gz CQBUNFCLUVKSCI-MAUKXSAKSA-N 1 2 335.448 0.640 20 30 ECEDLO CO[C@H]1C[C@@H](Cn2ccc(NC(=O)Cn3cc[nH+]c3)n2)N(CC#N)C1 ZINC001070600475 784416762 /nfs/dbraw/zinc/41/67/62/784416762.db2.gz ZGJFZBMOPRONMW-KBPBESRZSA-N 1 2 343.391 0.331 20 30 ECEDLO C=CCN1CCNC(=O)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001071015445 784421379 /nfs/dbraw/zinc/42/13/79/784421379.db2.gz FAMUANGIVCVDKE-UHFFFAOYSA-N 1 2 333.436 0.524 20 30 ECEDLO Cc1ccc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)n1C ZINC001070621407 784449619 /nfs/dbraw/zinc/44/96/19/784449619.db2.gz ZSNFOFYQTWYVPL-ZIAGYGMSSA-N 1 2 326.404 0.788 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001071031863 784461247 /nfs/dbraw/zinc/46/12/47/784461247.db2.gz HAOWZIPXMUOVFV-PBHICJAKSA-N 1 2 334.420 0.708 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CCc2ccon2)C[C@H]1NCC#N ZINC001070668269 784525988 /nfs/dbraw/zinc/52/59/88/784525988.db2.gz LJGXHBMAPGBCHK-ZIAGYGMSSA-N 1 2 328.376 0.448 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001070673076 784530953 /nfs/dbraw/zinc/53/09/53/784530953.db2.gz XBMHREBGJYLACJ-RDTXWAMCSA-N 1 2 348.447 0.787 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC2=CCOCC2)C[C@H]1NCC#N ZINC001070685624 784550917 /nfs/dbraw/zinc/55/09/17/784550917.db2.gz KWVWXUAAMCKWAH-HUUCEWRRSA-N 1 2 329.404 0.564 20 30 ECEDLO CCn1ccc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)n1 ZINC001070697703 784565726 /nfs/dbraw/zinc/56/57/26/784565726.db2.gz PJCHTFGMBIIYNB-TZMCWYRMSA-N 1 2 327.392 0.358 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)C(C)(C)C(N)=O)C[C@@H](C)O2 ZINC001071178096 784671585 /nfs/dbraw/zinc/67/15/85/784671585.db2.gz KLXMLRCNXUZDBA-MLGOLLRUSA-N 1 2 343.855 0.942 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C(C)(C)C(N)=O)C[C@@H](C)O2 ZINC001071178096 784671589 /nfs/dbraw/zinc/67/15/89/784671589.db2.gz KLXMLRCNXUZDBA-MLGOLLRUSA-N 1 2 343.855 0.942 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@H]3CCOC3)C2)C(=O)C1 ZINC001071255032 784849119 /nfs/dbraw/zinc/84/91/19/784849119.db2.gz CNQNFRODJPKOIG-JKSUJKDBSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@H]3CCOC3)C2)C(=O)C1 ZINC001071255032 784849128 /nfs/dbraw/zinc/84/91/28/784849128.db2.gz CNQNFRODJPKOIG-JKSUJKDBSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)C[C@H]3CCOC3)C2)C(=O)C1 ZINC001071260388 784871727 /nfs/dbraw/zinc/87/17/27/784871727.db2.gz QDYMOBMVBJHTFN-IAGOWNOFSA-N 1 2 347.459 0.572 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)C[C@H]3CCOC3)C2)C(=O)C1 ZINC001071260388 784871733 /nfs/dbraw/zinc/87/17/33/784871733.db2.gz QDYMOBMVBJHTFN-IAGOWNOFSA-N 1 2 347.459 0.572 20 30 ECEDLO C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001071874426 785252861 /nfs/dbraw/zinc/25/28/61/785252861.db2.gz JSNPENOHJCRRQL-XHDPSFHLSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001071874426 785252866 /nfs/dbraw/zinc/25/28/66/785252866.db2.gz JSNPENOHJCRRQL-XHDPSFHLSA-N 1 2 340.387 0.819 20 30 ECEDLO C=CCOCCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001071875942 785255183 /nfs/dbraw/zinc/25/51/83/785255183.db2.gz ZYAMMDMPEXOLLK-ZBFHGGJFSA-N 1 2 348.447 0.909 20 30 ECEDLO C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001071918610 785332499 /nfs/dbraw/zinc/33/24/99/785332499.db2.gz QJHCJHYZXSXUPY-WFASDCNBSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001071925574 785346494 /nfs/dbraw/zinc/34/64/94/785346494.db2.gz LTCOMDNJPBKLLU-SMDDNHRTSA-N 1 2 340.387 0.819 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CN2CCN(C)C(=O)C2)CC[C@@H]1C ZINC001071623593 785409754 /nfs/dbraw/zinc/40/97/54/785409754.db2.gz ZTBGQMSZPLTNNT-UONOGXRCSA-N 1 2 342.871 0.482 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CN2CCN(C)C(=O)C2)CC[C@@H]1C ZINC001071623593 785409758 /nfs/dbraw/zinc/40/97/58/785409758.db2.gz ZTBGQMSZPLTNNT-UONOGXRCSA-N 1 2 342.871 0.482 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001071657609 785462628 /nfs/dbraw/zinc/46/26/28/785462628.db2.gz GGYUWMYRIZJAIV-KBPBESRZSA-N 1 2 349.460 0.883 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3cnnn3C)C2)nc1 ZINC001072000346 785505620 /nfs/dbraw/zinc/50/56/20/785505620.db2.gz WJOUCCCEFAAOBN-DZGCQCFKSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3cnnn3C)C2)nc1 ZINC001072000346 785505624 /nfs/dbraw/zinc/50/56/24/785505624.db2.gz WJOUCCCEFAAOBN-DZGCQCFKSA-N 1 2 338.415 0.974 20 30 ECEDLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1NC(=O)CSCC#N ZINC001072430689 786173208 /nfs/dbraw/zinc/17/32/08/786173208.db2.gz XEVLHWQSFLRGAP-WCQYABFASA-N 1 2 335.433 0.182 20 30 ECEDLO C=CCCOCC(=O)N[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001072512578 786306262 /nfs/dbraw/zinc/30/62/62/786306262.db2.gz HYDVXMCHSZLHCZ-GDBMZVCRSA-N 1 2 348.447 0.909 20 30 ECEDLO CC(C)C#CC(=O)N[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001072516889 786316496 /nfs/dbraw/zinc/31/64/96/786316496.db2.gz ZYBAOFRPMOSTPG-GOEBONIOSA-N 1 2 330.432 0.975 20 30 ECEDLO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001072544621 786348764 /nfs/dbraw/zinc/34/87/64/786348764.db2.gz RJJBYZPITAUHII-NSHDSACASA-N 1 2 344.419 0.659 20 30 ECEDLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001072544621 786348770 /nfs/dbraw/zinc/34/87/70/786348770.db2.gz RJJBYZPITAUHII-NSHDSACASA-N 1 2 344.419 0.659 20 30 ECEDLO N#CCN1CCO[C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@H]21 ZINC001074245873 786502053 /nfs/dbraw/zinc/50/20/53/786502053.db2.gz VLYGNXRKFROSMS-HZPDHXFCSA-N 1 2 343.431 0.587 20 30 ECEDLO C#CCN1CCO[C@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@H]21 ZINC001074245606 786502624 /nfs/dbraw/zinc/50/26/24/786502624.db2.gz QYUGHFJKVCIUTA-SJORKVTESA-N 1 2 342.443 0.697 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc4n(n3)CCC4)C[C@H]21 ZINC001074258752 786533083 /nfs/dbraw/zinc/53/30/83/786533083.db2.gz ARAUYLRLZRXOEC-IAGOWNOFSA-N 1 2 328.416 0.768 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc4n(n3)CCC4)C[C@H]21 ZINC001074258752 786533089 /nfs/dbraw/zinc/53/30/89/786533089.db2.gz ARAUYLRLZRXOEC-IAGOWNOFSA-N 1 2 328.416 0.768 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@H]21 ZINC001074273059 786560755 /nfs/dbraw/zinc/56/07/55/786560755.db2.gz DCDPWSYJYWYDIO-CABCVRRESA-N 1 2 344.415 0.325 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@H]21 ZINC001074273059 786560760 /nfs/dbraw/zinc/56/07/60/786560760.db2.gz DCDPWSYJYWYDIO-CABCVRRESA-N 1 2 344.415 0.325 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C[C@H]21 ZINC001074273085 786561530 /nfs/dbraw/zinc/56/15/30/786561530.db2.gz DKKYMKUEAUEMGX-HZPDHXFCSA-N 1 2 331.416 0.877 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccn(C)c(=O)c3)C[C@H]21 ZINC001074273085 786561535 /nfs/dbraw/zinc/56/15/35/786561535.db2.gz DKKYMKUEAUEMGX-HZPDHXFCSA-N 1 2 331.416 0.877 20 30 ECEDLO C=CCCC(=O)N1CCN(C2CN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001073551534 786563961 /nfs/dbraw/zinc/56/39/61/786563961.db2.gz QHYFKSYTHHGUDY-UHFFFAOYSA-N 1 2 345.447 0.582 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N2CC[C@H]3OCCN(CC#N)[C@@H]3C2)c[nH+]1 ZINC001074275937 786568066 /nfs/dbraw/zinc/56/80/66/786568066.db2.gz CVLPFDPXSGEZGV-HUUCEWRRSA-N 1 2 331.420 0.752 20 30 ECEDLO Cn1ccc(C[N@@H+]2CCCO[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001073565226 786621782 /nfs/dbraw/zinc/62/17/82/786621782.db2.gz CVEMJPVRTLSZOB-OAHLLOKOSA-N 1 2 342.403 0.641 20 30 ECEDLO Cn1ccc(C[N@H+]2CCCO[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001073565226 786621787 /nfs/dbraw/zinc/62/17/87/786621787.db2.gz CVEMJPVRTLSZOB-OAHLLOKOSA-N 1 2 342.403 0.641 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc4nnnn4c3)C[C@H]21 ZINC001074297836 786625077 /nfs/dbraw/zinc/62/50/77/786625077.db2.gz VGGCBSRXWKIFKE-CABCVRRESA-N 1 2 340.387 0.063 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc4nnnn4c3)C[C@H]21 ZINC001074297836 786625080 /nfs/dbraw/zinc/62/50/80/786625080.db2.gz VGGCBSRXWKIFKE-CABCVRRESA-N 1 2 340.387 0.063 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3cn(CC)nn3)C[C@H]21 ZINC001074302836 786635239 /nfs/dbraw/zinc/63/52/39/786635239.db2.gz XVTOLWALIMBBDG-HZPDHXFCSA-N 1 2 333.436 0.718 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3cn(CC)nn3)C[C@H]21 ZINC001074302836 786635246 /nfs/dbraw/zinc/63/52/46/786635246.db2.gz XVTOLWALIMBBDG-HZPDHXFCSA-N 1 2 333.436 0.718 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]3OCC[N@@H+](CCOC)[C@H]3C2)nn1 ZINC001074353894 786738056 /nfs/dbraw/zinc/73/80/56/786738056.db2.gz IBEDCMVIUFWQOH-LSDHHAIUSA-N 1 2 335.408 0.026 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]3OCC[N@H+](CCOC)[C@H]3C2)nn1 ZINC001074353894 786738062 /nfs/dbraw/zinc/73/80/62/786738062.db2.gz IBEDCMVIUFWQOH-LSDHHAIUSA-N 1 2 335.408 0.026 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]3OCC[N@@H+](CCCF)[C@H]3C2)nn1 ZINC001074354884 786741016 /nfs/dbraw/zinc/74/10/16/786741016.db2.gz XRZFPPCOOHPLJJ-GJZGRUSLSA-N 1 2 337.399 0.739 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]3OCC[N@H+](CCCF)[C@H]3C2)nn1 ZINC001074354884 786741022 /nfs/dbraw/zinc/74/10/22/786741022.db2.gz XRZFPPCOOHPLJJ-GJZGRUSLSA-N 1 2 337.399 0.739 20 30 ECEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NC[C@@H]2CN(CC#N)CCCO2)[nH]n1 ZINC001073605812 786760163 /nfs/dbraw/zinc/76/01/63/786760163.db2.gz VUVJNGJIKHGCGB-CJNGLKHVSA-N 1 2 346.435 0.521 20 30 ECEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NC[C@@H]2CN(CC#N)CCCO2)[nH]n1 ZINC001073605812 786760172 /nfs/dbraw/zinc/76/01/72/786760172.db2.gz VUVJNGJIKHGCGB-CJNGLKHVSA-N 1 2 346.435 0.521 20 30 ECEDLO CC#CCN1CCO[C@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC001074394392 786841559 /nfs/dbraw/zinc/84/15/59/786841559.db2.gz FCBCTIZNQCNHQT-IRXDYDNUSA-N 1 2 330.432 0.678 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCN3CCCC3=O)C[C@H]21 ZINC001074402807 786866778 /nfs/dbraw/zinc/86/67/78/786866778.db2.gz MCSADQARQZKDQQ-CVEARBPZSA-N 1 2 335.448 0.877 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCN3CCCC3=O)C[C@H]21 ZINC001074402807 786866790 /nfs/dbraw/zinc/86/67/90/786866790.db2.gz MCSADQARQZKDQQ-CVEARBPZSA-N 1 2 335.448 0.877 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCCO[C@@H](CNC(=O)c3cnn[nH]3)C2)cc1 ZINC001073674489 786939522 /nfs/dbraw/zinc/93/95/22/786939522.db2.gz DXOSAEHZDIVKHL-HNNXBMFYSA-N 1 2 340.387 0.697 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCCO[C@@H](CNC(=O)c3cnn[nH]3)C2)cc1 ZINC001073674489 786939524 /nfs/dbraw/zinc/93/95/24/786939524.db2.gz DXOSAEHZDIVKHL-HNNXBMFYSA-N 1 2 340.387 0.697 20 30 ECEDLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1NC(=O)CSCC#N ZINC001073746844 787114984 /nfs/dbraw/zinc/11/49/84/787114984.db2.gz DXFGOGZXNPUVKX-RYUDHWBXSA-N 1 2 335.433 0.562 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001073819716 787262688 /nfs/dbraw/zinc/26/26/88/787262688.db2.gz IENWPXSUXXBQSW-GJZGRUSLSA-N 1 2 334.420 0.829 20 30 ECEDLO C=CCCCC(=O)NCC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001074632071 787453892 /nfs/dbraw/zinc/45/38/92/787453892.db2.gz SPRDLFKPVDGYSN-UHFFFAOYSA-N 1 2 334.420 0.709 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001073959472 787585610 /nfs/dbraw/zinc/58/56/10/787585610.db2.gz FKDHNAIYHBDUCD-UONOGXRCSA-N 1 2 332.404 0.345 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001073960393 787587524 /nfs/dbraw/zinc/58/75/24/787587524.db2.gz NLJYMTVAMVKFAT-UKRRQHHQSA-N 1 2 346.431 0.654 20 30 ECEDLO CCn1ncc(C[N@@H+]2CCC3(CN(C(=O)c4c[nH]c(C#N)c4)C3)C2)n1 ZINC001072639890 788484142 /nfs/dbraw/zinc/48/41/42/788484142.db2.gz XFQWTUBORXNASK-UHFFFAOYSA-N 1 2 339.403 0.846 20 30 ECEDLO CCn1ncc(C[N@H+]2CCC3(CN(C(=O)c4c[nH]c(C#N)c4)C3)C2)n1 ZINC001072639890 788484144 /nfs/dbraw/zinc/48/41/44/788484144.db2.gz XFQWTUBORXNASK-UHFFFAOYSA-N 1 2 339.403 0.846 20 30 ECEDLO C[C@@H](c1nncn1C)[N@@H+]1CCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001072644778 788493488 /nfs/dbraw/zinc/49/34/88/788493488.db2.gz OCKPITGVVWKKAU-LBPRGKRZSA-N 1 2 339.403 0.924 20 30 ECEDLO C[C@@H](c1nncn1C)[N@H+]1CCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001072644778 788493496 /nfs/dbraw/zinc/49/34/96/788493496.db2.gz OCKPITGVVWKKAU-LBPRGKRZSA-N 1 2 339.403 0.924 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001074990645 788678253 /nfs/dbraw/zinc/67/82/53/788678253.db2.gz JKERBRSRANVIQZ-CABCVRRESA-N 1 2 332.404 0.419 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1cn(C)nn1)C2 ZINC001072747670 788706087 /nfs/dbraw/zinc/70/60/87/788706087.db2.gz MXNAPBHBJFMUNV-CVEARBPZSA-N 1 2 345.447 0.831 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1cn(C)nn1)C2 ZINC001072747670 788706092 /nfs/dbraw/zinc/70/60/92/788706092.db2.gz MXNAPBHBJFMUNV-CVEARBPZSA-N 1 2 345.447 0.831 20 30 ECEDLO CC1(C)CN(C(=O)CSCC#N)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001073420425 789814323 /nfs/dbraw/zinc/81/43/23/789814323.db2.gz ANVDPEGQENWZGY-ZDUSSCGKSA-N 1 2 349.460 0.883 20 30 ECEDLO N#Cc1nccnc1NC[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001069475598 789850309 /nfs/dbraw/zinc/85/03/09/789850309.db2.gz JJZGAPARGIAWGN-STQMWFEESA-N 1 2 325.376 0.942 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1C[C@@H](Nc2ccnc(C#N)n2)C(C)(C)C1 ZINC001069578380 789914823 /nfs/dbraw/zinc/91/48/23/789914823.db2.gz UYDILBJETUSXFW-CYBMUJFWSA-N 1 2 339.403 0.395 20 30 ECEDLO C#CCN1CCn2ncc(CNC(=O)[C@H]3CCc4c[nH+]cn4C3)c2C1 ZINC001069865644 790122143 /nfs/dbraw/zinc/12/21/43/790122143.db2.gz MAKQMZDDODQKHA-AWEZNQCLSA-N 1 2 338.415 0.407 20 30 ECEDLO N#CCN1CCn2ncc(CNC(=O)c3cccc4[nH+]ccn43)c2C1 ZINC001069867268 790126117 /nfs/dbraw/zinc/12/61/17/790126117.db2.gz ILPNQJNLCYRJHY-UHFFFAOYSA-N 1 2 335.371 0.800 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CCN(C)C3=O)c2C1 ZINC001069870900 790132348 /nfs/dbraw/zinc/13/23/48/790132348.db2.gz ZUYQIRCDHFJRJI-AWEZNQCLSA-N 1 2 331.420 0.369 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CCN(C)C3=O)c2C1 ZINC001069870900 790132352 /nfs/dbraw/zinc/13/23/52/790132352.db2.gz ZUYQIRCDHFJRJI-AWEZNQCLSA-N 1 2 331.420 0.369 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001069929722 790201901 /nfs/dbraw/zinc/20/19/01/790201901.db2.gz NCPJFYGDKWZOEZ-LZWOXQAQSA-N 1 2 341.419 0.180 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)c2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001069929722 790201906 /nfs/dbraw/zinc/20/19/06/790201906.db2.gz NCPJFYGDKWZOEZ-LZWOXQAQSA-N 1 2 341.419 0.180 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2[nH]cnc2C(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001069930593 790203250 /nfs/dbraw/zinc/20/32/50/790203250.db2.gz SLOMRRMSZCAOJW-OLZOCXBDSA-N 1 2 341.419 0.587 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2[nH]cnc2C(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001069930593 790203253 /nfs/dbraw/zinc/20/32/53/790203253.db2.gz SLOMRRMSZCAOJW-OLZOCXBDSA-N 1 2 341.419 0.587 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccn(C(F)F)n2)[C@@H](n2ccnn2)C1 ZINC001069937672 790211675 /nfs/dbraw/zinc/21/16/75/790211675.db2.gz HNZWZVVANVSUOD-OLZOCXBDSA-N 1 2 349.345 0.548 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccn(C(F)F)n2)[C@@H](n2ccnn2)C1 ZINC001069937672 790211677 /nfs/dbraw/zinc/21/16/77/790211677.db2.gz HNZWZVVANVSUOD-OLZOCXBDSA-N 1 2 349.345 0.548 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ccn(CC(C)C)n2)[C@@H](n2ccnn2)C1 ZINC001069938684 790212815 /nfs/dbraw/zinc/21/28/15/790212815.db2.gz AGGIXXYOALHGTF-CVEARBPZSA-N 1 2 343.435 0.972 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC(C)C)n2)[C@@H](n2ccnn2)C1 ZINC001069938684 790212816 /nfs/dbraw/zinc/21/28/16/790212816.db2.gz AGGIXXYOALHGTF-CVEARBPZSA-N 1 2 343.435 0.972 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2ccc(F)cn2)[C@@H](n2ccnn2)C1 ZINC001069962046 790245749 /nfs/dbraw/zinc/24/57/49/790245749.db2.gz BCCRQDUXMJQGAF-CVEARBPZSA-N 1 2 342.378 0.420 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2ccc(F)cn2)[C@@H](n2ccnn2)C1 ZINC001069962046 790245753 /nfs/dbraw/zinc/24/57/53/790245753.db2.gz BCCRQDUXMJQGAF-CVEARBPZSA-N 1 2 342.378 0.420 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2n[nH]c3c2CCC3)[C@@H](n2ccnn2)C1 ZINC001069967090 790254417 /nfs/dbraw/zinc/25/44/17/790254417.db2.gz MTLIEZCNBKTNIQ-CABCVRRESA-N 1 2 339.403 0.169 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2n[nH]c3c2CCC3)[C@@H](n2ccnn2)C1 ZINC001069967090 790254420 /nfs/dbraw/zinc/25/44/20/790254420.db2.gz MTLIEZCNBKTNIQ-CABCVRRESA-N 1 2 339.403 0.169 20 30 ECEDLO C[C@@H]1[C@H](Nc2ccnc(C#N)n2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001068872096 791315028 /nfs/dbraw/zinc/31/50/28/791315028.db2.gz FFFPVJMWSLCCLT-DGCLKSJQSA-N 1 2 325.376 0.148 20 30 ECEDLO C=CCCCC(=O)N1CC2(C1)C[C@H](NC(=O)Cc1c[nH+]cn1C)CO2 ZINC001068936228 791458258 /nfs/dbraw/zinc/45/82/58/791458258.db2.gz XNVJJUZMMHRQGA-AWEZNQCLSA-N 1 2 346.431 0.805 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC2(C1)C[C@H](NC(=O)CCn1cc[nH+]c1)CO2 ZINC001068936704 791459208 /nfs/dbraw/zinc/45/92/08/791459208.db2.gz IQFPTDOWAVPLCA-AWEZNQCLSA-N 1 2 346.431 0.972 20 30 ECEDLO C[C@@H]1C[C@H](Nc2cnc(C#N)cn2)CN1C(=O)Cc1c[nH+]cn1C ZINC001069122359 791722939 /nfs/dbraw/zinc/72/29/39/791722939.db2.gz RJROBKADAJPARR-NEPJUHHUSA-N 1 2 325.376 0.726 20 30 ECEDLO C[C@@H]1C[C@@H](Nc2ccnc(C#N)n2)CN1C(=O)CCc1c[nH+]cn1C ZINC001069129695 791727819 /nfs/dbraw/zinc/72/78/19/791727819.db2.gz KQJRLEROMMWENP-CHWSQXEVSA-N 1 2 339.403 0.538 20 30 ECEDLO CC(C)(F)C(=O)N1CC[C@@H]([NH+]2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001066697021 792013144 /nfs/dbraw/zinc/01/31/44/792013144.db2.gz XKBXICTUDMONKI-CQSZACIVSA-N 1 2 346.410 0.819 20 30 ECEDLO Cc1cc(N2CC[NH+]([C@@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)ncn1 ZINC001066698014 792014751 /nfs/dbraw/zinc/01/47/51/792014751.db2.gz GLWQTKNQJXFETK-UKRRQHHQSA-N 1 2 328.420 0.668 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(c3ncc(F)cn3)CC2)C1 ZINC001066697795 792014960 /nfs/dbraw/zinc/01/49/60/792014960.db2.gz CUSSAQBNKRKJME-GXTWGEPZSA-N 1 2 332.383 0.498 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001066698564 792018063 /nfs/dbraw/zinc/01/80/63/792018063.db2.gz MMPULDTYQSFZMX-UKRRQHHQSA-N 1 2 339.403 0.231 20 30 ECEDLO N#Cc1nccc(N2CCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC001066758544 792115256 /nfs/dbraw/zinc/11/52/56/792115256.db2.gz HTQCZSWIUQMGDB-GFCCVEGCSA-N 1 2 325.376 0.789 20 30 ECEDLO C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001067703697 792158099 /nfs/dbraw/zinc/15/80/99/792158099.db2.gz AREBBCXZIXJWLM-KBPBESRZSA-N 1 2 331.420 0.912 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CN(c2cnc(C#N)cn2)CC[C@@H]1C ZINC001067963898 792514238 /nfs/dbraw/zinc/51/42/38/792514238.db2.gz WAOQITKUAHNCHV-NHYWBVRUSA-N 1 2 339.403 0.954 20 30 ECEDLO C[C@@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067966178 792518888 /nfs/dbraw/zinc/51/88/88/792518888.db2.gz WMJMZSNLOLSXBW-OCCSQVGLSA-N 1 2 325.376 0.576 20 30 ECEDLO C[C@@H]1CCN(c2cnc(C#N)cn2)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067994704 792553982 /nfs/dbraw/zinc/55/39/82/792553982.db2.gz YLHIBCPPEKNJCJ-BXUZGUMPSA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@H]1CCN(c2nccnc2C#N)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067993003 792554141 /nfs/dbraw/zinc/55/41/41/792554141.db2.gz GETBCXSVCUBRBG-SMDDNHRTSA-N 1 2 325.376 0.645 20 30 ECEDLO CC1(C)CN(c2ccnc(C#N)n2)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001068118926 792704047 /nfs/dbraw/zinc/70/40/47/792704047.db2.gz GORJJJHWYQHTLD-NSHDSACASA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1Nc1nccnc1C#N ZINC001067123595 792721312 /nfs/dbraw/zinc/72/13/12/792721312.db2.gz WKAMOGFQBJSJOA-SMDDNHRTSA-N 1 2 325.376 0.583 20 30 ECEDLO CN(CCCN(C)C(=O)c1ccc(C#N)[nH]1)C(=O)Cn1cc[nH+]c1 ZINC001067216496 792831099 /nfs/dbraw/zinc/83/10/99/792831099.db2.gz ITFJDKFWALCCFF-UHFFFAOYSA-N 1 2 328.376 0.704 20 30 ECEDLO C[C@@H](Nc1cnc(C#N)cn1)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001068245374 792924859 /nfs/dbraw/zinc/92/48/59/792924859.db2.gz KUKHQFCPTIFTJT-BXUZGUMPSA-N 1 2 341.375 0.342 20 30 ECEDLO C[C@@H](Nc1ccc(C#N)cn1)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001068246244 792928273 /nfs/dbraw/zinc/92/82/73/792928273.db2.gz VLXYFYXRUNOFTB-DOMZBBRYSA-N 1 2 340.387 0.947 20 30 ECEDLO C[C@H]1C[C@@H](CNc2ccc(C#N)nn2)CN1C(=O)Cn1cc[nH+]c1 ZINC001068335854 793070591 /nfs/dbraw/zinc/07/05/91/793070591.db2.gz QLCDVYPAMRMTEW-STQMWFEESA-N 1 2 325.376 0.894 20 30 ECEDLO C[C@@H]1C[C@@H](CNc2cnc(C#N)cn2)CN1C(=O)Cc1c[nH+]cn1C ZINC001068339720 793080165 /nfs/dbraw/zinc/08/01/65/793080165.db2.gz ZBPIGWBXODPLNE-OLZOCXBDSA-N 1 2 339.403 0.973 20 30 ECEDLO C[C@@H]1CN(c2cncc(C#N)n2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067405932 793109310 /nfs/dbraw/zinc/10/93/10/793109310.db2.gz OTDUKCDELQGHDW-IUODEOHRSA-N 1 2 339.403 0.655 20 30 ECEDLO C[C@H]1CN(c2cncc(C#N)n2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067440714 793163684 /nfs/dbraw/zinc/16/36/84/793163684.db2.gz NVQNEPMSHUAFEC-FZMZJTMJSA-N 1 2 325.376 0.645 20 30 ECEDLO C#CCCCC(=O)N1CC2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)CCO2 ZINC001068442516 793321675 /nfs/dbraw/zinc/32/16/75/793321675.db2.gz UUHTZJJDCANKOW-UHFFFAOYSA-N 1 2 330.388 0.196 20 30 ECEDLO CCCN(C(=O)c1ccc(=O)[nH]c1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267489328 837554015 /nfs/dbraw/zinc/55/40/15/837554015.db2.gz XELMMZZZKCBMJX-CQSZACIVSA-N 1 2 345.403 0.353 20 30 ECEDLO CCCN(C(=O)c1ccc(=O)[nH]c1)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267489328 837554025 /nfs/dbraw/zinc/55/40/25/837554025.db2.gz XELMMZZZKCBMJX-CQSZACIVSA-N 1 2 345.403 0.353 20 30 ECEDLO C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCNS(C)(=O)=O ZINC001267533210 837708499 /nfs/dbraw/zinc/70/84/99/837708499.db2.gz XCQIUXCSAUIBCG-OKILXGFUSA-N 1 2 329.466 0.567 20 30 ECEDLO C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCNS(C)(=O)=O ZINC001267533210 837708507 /nfs/dbraw/zinc/70/85/07/837708507.db2.gz XCQIUXCSAUIBCG-OKILXGFUSA-N 1 2 329.466 0.567 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)CC[NH+]1CCN(Cc2cc(C)on2)CC1 ZINC001267572211 837807973 /nfs/dbraw/zinc/80/79/73/837807973.db2.gz GXTFJYAZUWBOOH-INIZCTEOSA-N 1 2 348.447 0.597 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@@H](OC)C(F)(F)F)C1 ZINC001266245614 835551076 /nfs/dbraw/zinc/55/10/76/835551076.db2.gz DEBFBIWJXMBXAL-NWDGAFQWSA-N 1 2 349.353 0.284 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H](OC)C(F)(F)F)C1 ZINC001266245614 835551081 /nfs/dbraw/zinc/55/10/81/835551081.db2.gz DEBFBIWJXMBXAL-NWDGAFQWSA-N 1 2 349.353 0.284 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001266246440 835552938 /nfs/dbraw/zinc/55/29/38/835552938.db2.gz PRHPUWIJEQCJLG-OAHLLOKOSA-N 1 2 342.443 0.837 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001266246440 835552942 /nfs/dbraw/zinc/55/29/42/835552942.db2.gz PRHPUWIJEQCJLG-OAHLLOKOSA-N 1 2 342.443 0.837 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2nn(CC)nc2C)C1 ZINC001266254873 835560956 /nfs/dbraw/zinc/56/09/56/835560956.db2.gz YBMRQLHFQLHKGN-ZIAGYGMSSA-N 1 2 348.451 0.491 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2nn(CC)nc2C)C1 ZINC001266254873 835560960 /nfs/dbraw/zinc/56/09/60/835560960.db2.gz YBMRQLHFQLHKGN-ZIAGYGMSSA-N 1 2 348.451 0.491 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)CCNC(=O)c1cc(C)nn1C ZINC001266259765 835569081 /nfs/dbraw/zinc/56/90/81/835569081.db2.gz DJQYZFVYQLTPHE-UHFFFAOYSA-N 1 2 335.452 0.815 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)CCNC(=O)c1cc(C)nn1C ZINC001266259765 835569087 /nfs/dbraw/zinc/56/90/87/835569087.db2.gz DJQYZFVYQLTPHE-UHFFFAOYSA-N 1 2 335.452 0.815 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(CCNC(=O)/C(C)=C\CC)CC1 ZINC001266281358 835610056 /nfs/dbraw/zinc/61/00/56/835610056.db2.gz MIMRPUTWOJQBPQ-UJPCXNRSSA-N 1 2 334.464 0.214 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001266282986 835612815 /nfs/dbraw/zinc/61/28/15/835612815.db2.gz ZRLLPXSSNSWFEW-UHFFFAOYSA-N 1 2 331.376 0.232 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001266282986 835612818 /nfs/dbraw/zinc/61/28/18/835612818.db2.gz ZRLLPXSSNSWFEW-UHFFFAOYSA-N 1 2 331.376 0.232 20 30 ECEDLO CCn1ccc(CN2CC[NH+](CCNC(=O)C#CC(C)C)CC2)n1 ZINC001266283838 835615633 /nfs/dbraw/zinc/61/56/33/835615633.db2.gz XIWLSEYWNMITFQ-UHFFFAOYSA-N 1 2 331.464 0.796 20 30 ECEDLO CCc1cccc(C(=O)NCCN2CC[NH+](CC#CCOC)CC2)n1 ZINC001266285689 835620604 /nfs/dbraw/zinc/62/06/04/835620604.db2.gz JKUCQVRMKUOHQV-UHFFFAOYSA-N 1 2 344.459 0.641 20 30 ECEDLO CCc1cccc(C(=O)NCC[NH+]2CCN(CC#CCOC)CC2)n1 ZINC001266285689 835620607 /nfs/dbraw/zinc/62/06/07/835620607.db2.gz JKUCQVRMKUOHQV-UHFFFAOYSA-N 1 2 344.459 0.641 20 30 ECEDLO O=C(NCCN1CC[NH+](CC#Cc2ccccc2)CC1)c1cnon1 ZINC001266294649 835641031 /nfs/dbraw/zinc/64/10/31/835641031.db2.gz GDYIONDUJARYFR-UHFFFAOYSA-N 1 2 339.399 0.469 20 30 ECEDLO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001266319919 835689720 /nfs/dbraw/zinc/68/97/20/835689720.db2.gz VQJGWJCNSXIXCN-JSGCOSHPSA-N 1 2 348.447 0.603 20 30 ECEDLO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001266319919 835689726 /nfs/dbraw/zinc/68/97/26/835689726.db2.gz VQJGWJCNSXIXCN-JSGCOSHPSA-N 1 2 348.447 0.603 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccnc3[nH]c(C)nc32)C1 ZINC001266331624 835713405 /nfs/dbraw/zinc/71/34/05/835713405.db2.gz SDGNFWXKJVNGAD-LBPRGKRZSA-N 1 2 342.403 0.373 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccnc3[nH]c(C)nc32)C1 ZINC001266331624 835713409 /nfs/dbraw/zinc/71/34/09/835713409.db2.gz SDGNFWXKJVNGAD-LBPRGKRZSA-N 1 2 342.403 0.373 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(C)C)cn2)C1 ZINC001266342572 835729866 /nfs/dbraw/zinc/72/98/66/835729866.db2.gz SDLIYBLDICIYIV-HNNXBMFYSA-N 1 2 328.416 0.759 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(C)C)cn2)C1 ZINC001266342572 835729868 /nfs/dbraw/zinc/72/98/68/835729868.db2.gz SDLIYBLDICIYIV-HNNXBMFYSA-N 1 2 328.416 0.759 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccc2c(c1)CCN2C ZINC001266344652 835733446 /nfs/dbraw/zinc/73/34/46/835733446.db2.gz MLOXBUZQIFGTNY-UHFFFAOYSA-N 1 2 328.416 0.090 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1ccc2c(c1)CCN2C ZINC001266344652 835733454 /nfs/dbraw/zinc/73/34/54/835733454.db2.gz MLOXBUZQIFGTNY-UHFFFAOYSA-N 1 2 328.416 0.090 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2coc(C3CCC3)n2)C1 ZINC001266350203 835745981 /nfs/dbraw/zinc/74/59/81/835745981.db2.gz RHVWKLWVDDGNOQ-GXTWGEPZSA-N 1 2 344.415 0.884 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2coc(C3CCC3)n2)C1 ZINC001266350203 835745988 /nfs/dbraw/zinc/74/59/88/835745988.db2.gz RHVWKLWVDDGNOQ-GXTWGEPZSA-N 1 2 344.415 0.884 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2cn(CCC)nn2)C1 ZINC001266350388 835746526 /nfs/dbraw/zinc/74/65/26/835746526.db2.gz SPKJTIRFYRLBMH-OLZOCXBDSA-N 1 2 334.424 0.183 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cn(CCC)nn2)C1 ZINC001266350388 835746536 /nfs/dbraw/zinc/74/65/36/835746536.db2.gz SPKJTIRFYRLBMH-OLZOCXBDSA-N 1 2 334.424 0.183 20 30 ECEDLO C=CC(C)(C)C(=O)NC1(CCO)C[NH+](CCCN2CCCC2=O)C1 ZINC001282531053 835752139 /nfs/dbraw/zinc/75/21/39/835752139.db2.gz URUNKNQYVAUGSP-UHFFFAOYSA-N 1 2 337.464 0.764 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1scnc1C ZINC001266447751 835851989 /nfs/dbraw/zinc/85/19/89/835851989.db2.gz ZCYFGQBJODNHBM-CHWSQXEVSA-N 1 2 334.445 0.784 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1scnc1C ZINC001266447751 835851994 /nfs/dbraw/zinc/85/19/94/835851994.db2.gz ZCYFGQBJODNHBM-CHWSQXEVSA-N 1 2 334.445 0.784 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H](C)OC ZINC001266484108 835883801 /nfs/dbraw/zinc/88/38/01/835883801.db2.gz PMIKQLNJVIEEDX-FPCVCCKLSA-N 1 2 335.448 0.615 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H](C)OC ZINC001266484108 835883809 /nfs/dbraw/zinc/88/38/09/835883809.db2.gz PMIKQLNJVIEEDX-FPCVCCKLSA-N 1 2 335.448 0.615 20 30 ECEDLO Cn1nc(C2CC2)nc1C[N@@H+]1CC[C@@H](CNC(=O)CSCC#N)C1 ZINC001266500344 835901422 /nfs/dbraw/zinc/90/14/22/835901422.db2.gz QYGBLVRLWROQRR-LBPRGKRZSA-N 1 2 348.476 0.887 20 30 ECEDLO Cn1nc(C2CC2)nc1C[N@H+]1CC[C@@H](CNC(=O)CSCC#N)C1 ZINC001266500344 835901432 /nfs/dbraw/zinc/90/14/32/835901432.db2.gz QYGBLVRLWROQRR-LBPRGKRZSA-N 1 2 348.476 0.887 20 30 ECEDLO C=CCOCC(=O)NC[C@H]1CC[N@@H+]([C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC001266505390 835906778 /nfs/dbraw/zinc/90/67/78/835906778.db2.gz JQKGXLNTOSLKOG-DYVFJYSZSA-N 1 2 349.406 0.993 20 30 ECEDLO C=CCOCC(=O)NC[C@H]1CC[N@H+]([C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC001266505390 835906785 /nfs/dbraw/zinc/90/67/85/835906785.db2.gz JQKGXLNTOSLKOG-DYVFJYSZSA-N 1 2 349.406 0.993 20 30 ECEDLO COCC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001266769808 836278812 /nfs/dbraw/zinc/27/88/12/836278812.db2.gz IRLJIZXOMFXFOW-GJZGRUSLSA-N 1 2 342.461 0.042 20 30 ECEDLO COCC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001266769808 836278824 /nfs/dbraw/zinc/27/88/24/836278824.db2.gz IRLJIZXOMFXFOW-GJZGRUSLSA-N 1 2 342.461 0.042 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CCOC ZINC001266826049 836351417 /nfs/dbraw/zinc/35/14/17/836351417.db2.gz NJNVEDRNRUODEN-ZDUSSCGKSA-N 1 2 340.424 0.005 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CCOC ZINC001266826049 836351428 /nfs/dbraw/zinc/35/14/28/836351428.db2.gz NJNVEDRNRUODEN-ZDUSSCGKSA-N 1 2 340.424 0.005 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cn[nH]n1 ZINC001266843988 836371534 /nfs/dbraw/zinc/37/15/34/836371534.db2.gz FDBYLMGSBFCDMP-AWEZNQCLSA-N 1 2 348.451 0.814 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCC[C@H]1CNC(=O)c1cn[nH]n1 ZINC001266843988 836371548 /nfs/dbraw/zinc/37/15/48/836371548.db2.gz FDBYLMGSBFCDMP-AWEZNQCLSA-N 1 2 348.451 0.814 20 30 ECEDLO C[C@@H](CC(=O)N(C)CCNC(=O)c1cc(C#N)c[nH]1)n1cc[nH+]c1 ZINC001408545437 836376797 /nfs/dbraw/zinc/37/67/97/836376797.db2.gz YZEFVKQUTWKJKA-LBPRGKRZSA-N 1 2 328.376 0.922 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC001267024536 836642576 /nfs/dbraw/zinc/64/25/76/836642576.db2.gz GHMADBXCVUHAOD-STQMWFEESA-N 1 2 339.399 0.505 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[N@@H+](C)CC(=O)N1CCCC[C@H]1CC ZINC001267193845 836957920 /nfs/dbraw/zinc/95/79/20/836957920.db2.gz DXJYCOGJHWMPEC-JKSUJKDBSA-N 1 2 337.464 0.864 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[N@H+](C)CC(=O)N1CCCC[C@H]1CC ZINC001267193845 836957931 /nfs/dbraw/zinc/95/79/31/836957931.db2.gz DXJYCOGJHWMPEC-JKSUJKDBSA-N 1 2 337.464 0.864 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cn(C(C)(C)C)nc1C ZINC001267194468 836958694 /nfs/dbraw/zinc/95/86/94/836958694.db2.gz QHWGHAPGZROAQW-UHFFFAOYSA-N 1 2 335.452 0.910 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cn(C(C)(C)C)nc1C ZINC001267194468 836958701 /nfs/dbraw/zinc/95/87/01/836958701.db2.gz QHWGHAPGZROAQW-UHFFFAOYSA-N 1 2 335.452 0.910 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1COc2cc(F)ccc2C1 ZINC001267195614 836961632 /nfs/dbraw/zinc/96/16/32/836961632.db2.gz HRZAQGWDXWORCH-CQSZACIVSA-N 1 2 347.390 0.174 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1COc2cc(F)ccc2C1 ZINC001267195614 836961641 /nfs/dbraw/zinc/96/16/41/836961641.db2.gz HRZAQGWDXWORCH-CQSZACIVSA-N 1 2 347.390 0.174 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1Cc2ccccc2O1 ZINC001267198142 836964095 /nfs/dbraw/zinc/96/40/95/836964095.db2.gz FSHYPZLBXFKPOQ-HNNXBMFYSA-N 1 2 331.416 0.730 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1Cc2ccccc2O1 ZINC001267198142 836964101 /nfs/dbraw/zinc/96/41/01/836964101.db2.gz FSHYPZLBXFKPOQ-HNNXBMFYSA-N 1 2 331.416 0.730 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cccn(C(C)(C)C)c1=O ZINC001267220994 837014900 /nfs/dbraw/zinc/01/49/00/837014900.db2.gz OKCHAHXNDIXGAJ-UHFFFAOYSA-N 1 2 348.447 0.567 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cccn(C(C)(C)C)c1=O ZINC001267220994 837014903 /nfs/dbraw/zinc/01/49/03/837014903.db2.gz OKCHAHXNDIXGAJ-UHFFFAOYSA-N 1 2 348.447 0.567 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnc(C2CC2)c1 ZINC001267270518 837110942 /nfs/dbraw/zinc/11/09/42/837110942.db2.gz KDMJBJYQAWMTPH-OAHLLOKOSA-N 1 2 341.415 0.793 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccnc(C2CC2)c1 ZINC001267270518 837110951 /nfs/dbraw/zinc/11/09/51/837110951.db2.gz KDMJBJYQAWMTPH-OAHLLOKOSA-N 1 2 341.415 0.793 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C2CC2)no1 ZINC001267278480 837124465 /nfs/dbraw/zinc/12/44/65/837124465.db2.gz LGQBEJBVJYOYFG-GXTWGEPZSA-N 1 2 344.415 0.884 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C2CC2)no1 ZINC001267278480 837124472 /nfs/dbraw/zinc/12/44/72/837124472.db2.gz LGQBEJBVJYOYFG-GXTWGEPZSA-N 1 2 344.415 0.884 20 30 ECEDLO Cc1cnc(CN2CC[NH+](CCN(C)C(=O)C#CC3CC3)CC2)nc1 ZINC001267607301 837949956 /nfs/dbraw/zinc/94/99/56/837949956.db2.gz DAGVPORANIARPP-UHFFFAOYSA-N 1 2 341.459 0.774 20 30 ECEDLO C#CCN1CC[NH+](CCN(C)C(=O)c2cnn3ccncc23)CC1 ZINC001267607892 837952396 /nfs/dbraw/zinc/95/23/96/837952396.db2.gz ZMQMFZNBRZBBEE-UHFFFAOYSA-N 1 2 326.404 0.052 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cc2cc(C3CC3)no2)C1 ZINC001267628055 838081731 /nfs/dbraw/zinc/08/17/31/838081731.db2.gz MUFMRCVCLSNQJO-AWEZNQCLSA-N 1 2 346.431 0.977 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)Cc2cc(C3CC3)no2)C1 ZINC001267628055 838081742 /nfs/dbraw/zinc/08/17/42/838081742.db2.gz MUFMRCVCLSNQJO-AWEZNQCLSA-N 1 2 346.431 0.977 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC001267632445 838095888 /nfs/dbraw/zinc/09/58/88/838095888.db2.gz WGDBEAKKQHGLJG-HNNXBMFYSA-N 1 2 343.431 0.091 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC001267632445 838095905 /nfs/dbraw/zinc/09/59/05/838095905.db2.gz WGDBEAKKQHGLJG-HNNXBMFYSA-N 1 2 343.431 0.091 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccnn2C)C1 ZINC001267633050 838099210 /nfs/dbraw/zinc/09/92/10/838099210.db2.gz ZKIKNQXWOPKNGC-DOTOQJQBSA-N 1 2 347.463 0.972 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccnn2C)C1 ZINC001267633050 838099217 /nfs/dbraw/zinc/09/92/17/838099217.db2.gz ZKIKNQXWOPKNGC-DOTOQJQBSA-N 1 2 347.463 0.972 20 30 ECEDLO CC(C)(C)C#CC(=O)NC1C[NH+](C[C@H](O)COCC(F)(F)F)C1 ZINC001267645197 838129436 /nfs/dbraw/zinc/12/94/36/838129436.db2.gz ORONOGRQPBGRER-LBPRGKRZSA-N 1 2 336.354 0.776 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC(CNC(=O)/C=C(\C)CC)C1 ZINC001267680413 838238483 /nfs/dbraw/zinc/23/84/83/838238483.db2.gz LEPCSZATOQPLSU-RPHSKFLZSA-N 1 2 336.436 0.791 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)c2sccc2Cl)C1 ZINC001267682871 838242645 /nfs/dbraw/zinc/24/26/45/838242645.db2.gz DASANNCGVPBHNJ-UHFFFAOYSA-N 1 2 325.821 0.813 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)c2cccc3c2CCCC3)C1 ZINC001267684501 838247191 /nfs/dbraw/zinc/24/71/91/838247191.db2.gz XTUHGKRWBNTZMK-UHFFFAOYSA-N 1 2 339.439 0.976 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)c2ccc(C)nc2C2CC2)C1 ZINC001267685417 838251414 /nfs/dbraw/zinc/25/14/14/838251414.db2.gz CBSSLUCPYZBZCR-UHFFFAOYSA-N 1 2 340.427 0.678 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)COC2CCCCC2)C1 ZINC001267688625 838253053 /nfs/dbraw/zinc/25/30/53/838253053.db2.gz QCJZUGZYKJQLMG-AWEZNQCLSA-N 1 2 335.448 0.522 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH+]1CC(CNC(=O)[C@H](C)C(C)(F)F)C1 ZINC001267693886 838275432 /nfs/dbraw/zinc/27/54/32/838275432.db2.gz ULDUCXYRTYZVRF-JTQLQIEISA-N 1 2 346.378 0.338 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH+]1CC(CNC(=O)C(C)(C)CC=C)C1 ZINC001267693567 838278761 /nfs/dbraw/zinc/27/87/61/838278761.db2.gz KAJMBJAAPMEHBK-UHFFFAOYSA-N 1 2 336.436 0.649 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)Cc2ccccc2OC)C1 ZINC001267698951 838293249 /nfs/dbraw/zinc/29/32/49/838293249.db2.gz RLJULGNSHRONPX-UHFFFAOYSA-N 1 2 331.416 0.588 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H](OC)c2ccc(F)cc2)C1 ZINC001267701415 838294473 /nfs/dbraw/zinc/29/44/73/838294473.db2.gz RMJRHDNCGHEAOD-KRWDZBQOSA-N 1 2 347.390 0.311 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001267701191 838299868 /nfs/dbraw/zinc/29/98/68/838299868.db2.gz XZHRZTQRJPWGBG-CQSZACIVSA-N 1 2 345.447 0.572 20 30 ECEDLO COCC#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001267708295 838316012 /nfs/dbraw/zinc/31/60/12/838316012.db2.gz HCQYCJVGTFRUJO-XIRDDKMYSA-N 1 2 328.416 0.380 20 30 ECEDLO CC(C)C#CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC001267741308 838442232 /nfs/dbraw/zinc/44/22/32/838442232.db2.gz RKCYLMLIWOUVLQ-UONOGXRCSA-N 1 2 336.436 0.459 20 30 ECEDLO CC(C)C#CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC001267741308 838442236 /nfs/dbraw/zinc/44/22/36/838442236.db2.gz RKCYLMLIWOUVLQ-UONOGXRCSA-N 1 2 336.436 0.459 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c(C)cc(C)nc2C)C1 ZINC001267746383 838451814 /nfs/dbraw/zinc/45/18/14/838451814.db2.gz HHKBPAQFSGGIDT-OAHLLOKOSA-N 1 2 328.416 0.560 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c(C)cc(C)nc2C)C1 ZINC001267746383 838451815 /nfs/dbraw/zinc/45/18/15/838451815.db2.gz HHKBPAQFSGGIDT-OAHLLOKOSA-N 1 2 328.416 0.560 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)C1 ZINC001267749684 838467244 /nfs/dbraw/zinc/46/72/44/838467244.db2.gz MRCBOYGLZWUJSX-IWKCEXAMSA-N 1 2 337.423 0.512 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)C1 ZINC001267749684 838467249 /nfs/dbraw/zinc/46/72/49/838467249.db2.gz MRCBOYGLZWUJSX-IWKCEXAMSA-N 1 2 337.423 0.512 20 30 ECEDLO Cc1nc(CC(=O)N(C)[C@H]2CC[N@H+](CC(=O)NCC#N)C2)c(C)s1 ZINC001267766396 838501225 /nfs/dbraw/zinc/50/12/25/838501225.db2.gz ICMABCWBHJEXCK-ZDUSSCGKSA-N 1 2 349.460 0.475 20 30 ECEDLO Cc1nc(CC(=O)N(C)[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)c(C)s1 ZINC001267766396 838501231 /nfs/dbraw/zinc/50/12/31/838501231.db2.gz ICMABCWBHJEXCK-ZDUSSCGKSA-N 1 2 349.460 0.475 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C2(c3cc(C)no3)CC2)C1 ZINC001267769866 838515861 /nfs/dbraw/zinc/51/58/61/838515861.db2.gz DCIWFLVKJCERCR-CQSZACIVSA-N 1 2 344.415 0.297 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(c3cc(C)no3)CC2)C1 ZINC001267769866 838515865 /nfs/dbraw/zinc/51/58/65/838515865.db2.gz DCIWFLVKJCERCR-CQSZACIVSA-N 1 2 344.415 0.297 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3nonc3c2)C1 ZINC001267770517 838519010 /nfs/dbraw/zinc/51/90/10/838519010.db2.gz MTYKDHYJJDQGRR-CYBMUJFWSA-N 1 2 343.387 0.671 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3nonc3c2)C1 ZINC001267770517 838519015 /nfs/dbraw/zinc/51/90/15/838519015.db2.gz MTYKDHYJJDQGRR-CYBMUJFWSA-N 1 2 343.387 0.671 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C2(CC)CC2)C1 ZINC001267771550 838521408 /nfs/dbraw/zinc/52/14/08/838521408.db2.gz IQRUJLNAAZUHBF-ZDUSSCGKSA-N 1 2 336.436 0.721 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C2(CC)CC2)C1 ZINC001267771550 838521413 /nfs/dbraw/zinc/52/14/13/838521413.db2.gz IQRUJLNAAZUHBF-ZDUSSCGKSA-N 1 2 336.436 0.721 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2OCC)C1 ZINC001267775928 838539182 /nfs/dbraw/zinc/53/91/82/838539182.db2.gz AHSPCKWAFQNHMB-HNNXBMFYSA-N 1 2 343.427 0.981 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2OCC)C1 ZINC001267775928 838539186 /nfs/dbraw/zinc/53/91/86/838539186.db2.gz AHSPCKWAFQNHMB-HNNXBMFYSA-N 1 2 343.427 0.981 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)C(F)F)C1 ZINC001267780125 838552432 /nfs/dbraw/zinc/55/24/32/838552432.db2.gz JDAHXXBCDCRHJM-GHMZBOCLSA-N 1 2 346.378 0.575 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)C(F)F)C1 ZINC001267780125 838552436 /nfs/dbraw/zinc/55/24/36/838552436.db2.gz JDAHXXBCDCRHJM-GHMZBOCLSA-N 1 2 346.378 0.575 20 30 ECEDLO CCc1cncc(C(=O)N(CC)[C@H]2CC[N@H+](CC(=O)NCC#N)C2)c1 ZINC001267788168 838563907 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ECEDLO C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)C[C@@H]2CCCCO2)C1 ZINC001268021161 838996166 /nfs/dbraw/zinc/99/61/66/838996166.db2.gz PNAKTINPUXDXKX-HOTGVXAUSA-N 1 2 326.437 0.965 20 30 ECEDLO C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)C[C@@H]2CCCCO2)C1 ZINC001268021161 838996176 /nfs/dbraw/zinc/99/61/76/838996176.db2.gz PNAKTINPUXDXKX-HOTGVXAUSA-N 1 2 326.437 0.965 20 30 ECEDLO C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)c2cccnc2OC)C1 ZINC001268025707 839023822 /nfs/dbraw/zinc/02/38/22/839023822.db2.gz FJLMIEMXBUTZJK-AWEZNQCLSA-N 1 2 335.404 0.723 20 30 ECEDLO C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)c2cccnc2OC)C1 ZINC001268025707 839023836 /nfs/dbraw/zinc/02/38/36/839023836.db2.gz FJLMIEMXBUTZJK-AWEZNQCLSA-N 1 2 335.404 0.723 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)NC(=O)CC(C)(C)C)C1 ZINC001268029226 839045712 /nfs/dbraw/zinc/04/57/12/839045712.db2.gz CZFCQLCACIWXQJ-KGLIPLIRSA-N 1 2 325.453 0.930 20 30 ECEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C)NC(=O)CC(C)(C)C)C1 ZINC001268029226 839045722 /nfs/dbraw/zinc/04/57/22/839045722.db2.gz CZFCQLCACIWXQJ-KGLIPLIRSA-N 1 2 325.453 0.930 20 30 ECEDLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427943401 210233536 /nfs/dbraw/zinc/23/35/36/210233536.db2.gz BDRCZRILSAQTFN-CQSZACIVSA-N 1 2 349.391 0.766 20 30 ECEDLO CC[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cc2F)CCO1 ZINC000427853126 210224274 /nfs/dbraw/zinc/22/42/74/210224274.db2.gz OGEQZJVEDFCAFO-CYBMUJFWSA-N 1 2 348.378 0.863 20 30 ECEDLO CC[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cc2F)CCO1 ZINC000427853126 210224277 /nfs/dbraw/zinc/22/42/77/210224277.db2.gz OGEQZJVEDFCAFO-CYBMUJFWSA-N 1 2 348.378 0.863 20 30 ECEDLO CN(CC[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000128945907 529910490 /nfs/dbraw/zinc/91/04/90/529910490.db2.gz KFFIOUHGAZCENN-UHFFFAOYSA-N 1 2 334.351 0.426 20 30 ECEDLO N#Cc1ncn(CC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)n1 ZINC000425951787 210125762 /nfs/dbraw/zinc/12/57/62/210125762.db2.gz QWMWMNPLPXCKPF-GFCCVEGCSA-N 1 2 346.416 0.401 20 30 ECEDLO Cc1cc(N2CC[NH+]([C@@H](C)C(=O)N3CCOCC3)CC2)c(C#N)cn1 ZINC000425250969 210026625 /nfs/dbraw/zinc/02/66/25/210026625.db2.gz WTOSVDMPNLIWLI-HNNXBMFYSA-N 1 2 343.431 0.631 20 30 ECEDLO N#Cc1cc(F)ccc1CN1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000103139060 219260958 /nfs/dbraw/zinc/26/09/58/219260958.db2.gz WWEOKJGBWJPHJN-UHFFFAOYSA-N 1 2 346.406 0.674 20 30 ECEDLO O=C(C#Cc1ccc2c(c1)OCO2)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000372111783 283733063 /nfs/dbraw/zinc/73/30/63/283733063.db2.gz XZRNGRLZVMNUDD-OAHLLOKOSA-N 1 2 328.368 0.700 20 30 ECEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000413960943 208383546 /nfs/dbraw/zinc/38/35/46/208383546.db2.gz RMHKCJNHLBFICM-UHFFFAOYSA-N 1 2 344.415 0.515 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCCN(C(N)=O)CC3)C2=O)cc1 ZINC000153599782 224128638 /nfs/dbraw/zinc/12/86/38/224128638.db2.gz RRODEKILLXNZQJ-OAHLLOKOSA-N 1 2 327.388 0.750 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCCN(C(N)=O)CC3)C2=O)cc1 ZINC000153599782 224128640 /nfs/dbraw/zinc/12/86/40/224128640.db2.gz RRODEKILLXNZQJ-OAHLLOKOSA-N 1 2 327.388 0.750 20 30 ECEDLO CC(C)C[C@H](CNC(=O)N[C@@H]1CC[S@@](=O)C1)[NH+]1CCOCC1 ZINC000329998205 254625135 /nfs/dbraw/zinc/62/51/35/254625135.db2.gz RXAYRIFNJKPHFS-XDEPDNQISA-N 1 2 331.482 0.758 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000154406611 224249386 /nfs/dbraw/zinc/24/93/86/224249386.db2.gz DFSMTLCWNQXVDP-UHFFFAOYSA-N 1 2 336.359 0.525 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496628811 255115834 /nfs/dbraw/zinc/11/58/34/255115834.db2.gz AYFZFMFBTSJUPZ-CYBMUJFWSA-N 1 2 327.425 0.904 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496628811 255115836 /nfs/dbraw/zinc/11/58/36/255115836.db2.gz AYFZFMFBTSJUPZ-CYBMUJFWSA-N 1 2 327.425 0.904 20 30 ECEDLO C#CCCN1CC[NH+](C[C@@H](O)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000496880811 255138566 /nfs/dbraw/zinc/13/85/66/255138566.db2.gz FAYKLTMJUMZYEJ-HNNXBMFYSA-N 1 2 325.453 0.855 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)[C@H](C)C1 ZINC000408404505 287095952 /nfs/dbraw/zinc/09/59/52/287095952.db2.gz OMCDBXYGLJFHOR-GHMZBOCLSA-N 1 2 329.447 0.695 20 30 ECEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)[C@H](C)C1 ZINC000408404505 287095955 /nfs/dbraw/zinc/09/59/55/287095955.db2.gz OMCDBXYGLJFHOR-GHMZBOCLSA-N 1 2 329.447 0.695 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCN1CCO[C@@H](C)C1 ZINC000253355719 165207674 /nfs/dbraw/zinc/20/76/74/165207674.db2.gz GLVCRWIOSHUGDW-CABCVRRESA-N 1 2 330.436 0.579 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCN1CCO[C@@H](C)C1 ZINC000253355719 165207677 /nfs/dbraw/zinc/20/76/77/165207677.db2.gz GLVCRWIOSHUGDW-CABCVRRESA-N 1 2 330.436 0.579 20 30 ECEDLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000123324157 222257494 /nfs/dbraw/zinc/25/74/94/222257494.db2.gz CRQIEJCUWZEESP-ZDUSSCGKSA-N 1 2 341.408 0.775 20 30 ECEDLO COCCn1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cn1 ZINC000271305504 263313965 /nfs/dbraw/zinc/31/39/65/263313965.db2.gz VLHLMISQJPVSHY-CQSZACIVSA-N 1 2 341.419 0.902 20 30 ECEDLO COCCn1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cn1 ZINC000271305504 263313966 /nfs/dbraw/zinc/31/39/66/263313966.db2.gz VLHLMISQJPVSHY-CQSZACIVSA-N 1 2 341.419 0.902 20 30 ECEDLO N#Cc1ccc(CS(=O)(=O)CC(=O)NCC[N@H+]2CC=CCC2)cc1 ZINC000280230223 263919614 /nfs/dbraw/zinc/91/96/14/263919614.db2.gz MBHRPXNAVDCIFV-UHFFFAOYSA-N 1 2 347.440 0.851 20 30 ECEDLO N#Cc1ccc(CS(=O)(=O)CC(=O)NCC[N@@H+]2CC=CCC2)cc1 ZINC000280230223 263919616 /nfs/dbraw/zinc/91/96/16/263919616.db2.gz MBHRPXNAVDCIFV-UHFFFAOYSA-N 1 2 347.440 0.851 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3F)C[C@@H]21 ZINC000285425488 264311778 /nfs/dbraw/zinc/31/17/78/264311778.db2.gz XZBQHSYFIJLKSG-LSDHHAIUSA-N 1 2 346.362 0.567 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3F)C[C@@H]21 ZINC000285425488 264311782 /nfs/dbraw/zinc/31/17/82/264311782.db2.gz XZBQHSYFIJLKSG-LSDHHAIUSA-N 1 2 346.362 0.567 20 30 ECEDLO N#Cc1ncn(CCNC(=O)NCCc2cn3c([nH+]2)CCCC3)n1 ZINC000343957508 270006355 /nfs/dbraw/zinc/00/63/55/270006355.db2.gz DQQRFPYMFYTVHU-UHFFFAOYSA-N 1 2 328.380 0.224 20 30 ECEDLO CN(C)c1cc(C#N)cc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)c1 ZINC000293507155 266516929 /nfs/dbraw/zinc/51/69/29/266516929.db2.gz MMLHQQLEUJTCBO-UHFFFAOYSA-N 1 2 329.404 0.176 20 30 ECEDLO CN(C)c1cc(C#N)cc(C(=O)NCCC[N@H+]2CCNC(=O)C2)c1 ZINC000293507155 266516931 /nfs/dbraw/zinc/51/69/31/266516931.db2.gz MMLHQQLEUJTCBO-UHFFFAOYSA-N 1 2 329.404 0.176 20 30 ECEDLO C[C@H](C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)[NH+]1CCN(C)CC1 ZINC000293663995 267128593 /nfs/dbraw/zinc/12/85/93/267128593.db2.gz HXUFODIXTMFKMO-GDBMZVCRSA-N 1 2 343.431 0.569 20 30 ECEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000374046519 267140104 /nfs/dbraw/zinc/14/01/04/267140104.db2.gz VSLNTEKJAPHYOB-DFBGVHRSSA-N 1 2 328.372 0.475 20 30 ECEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000374046519 267140106 /nfs/dbraw/zinc/14/01/06/267140106.db2.gz VSLNTEKJAPHYOB-DFBGVHRSSA-N 1 2 328.372 0.475 20 30 ECEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000332481401 267303420 /nfs/dbraw/zinc/30/34/20/267303420.db2.gz VMGWBCOKIYHSDD-CVEARBPZSA-N 1 2 342.399 0.737 20 30 ECEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000332481401 267303422 /nfs/dbraw/zinc/30/34/22/267303422.db2.gz VMGWBCOKIYHSDD-CVEARBPZSA-N 1 2 342.399 0.737 20 30 ECEDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1cnccc1C#N)C2 ZINC000514867422 268079175 /nfs/dbraw/zinc/07/91/75/268079175.db2.gz NFIBCOFLOOGUBM-CYBMUJFWSA-N 1 2 325.372 0.738 20 30 ECEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1Cl ZINC000370709129 268140988 /nfs/dbraw/zinc/14/09/88/268140988.db2.gz QYVDIKCCOQTQJE-KBPBESRZSA-N 1 2 348.790 0.739 20 30 ECEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1Cl ZINC000370709129 268140991 /nfs/dbraw/zinc/14/09/91/268140991.db2.gz QYVDIKCCOQTQJE-KBPBESRZSA-N 1 2 348.790 0.739 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCC[C@@H]2CC(N)=O)nc1 ZINC000343993320 268188044 /nfs/dbraw/zinc/18/80/44/268188044.db2.gz VGYQJFLQYRDKDO-CYBMUJFWSA-N 1 2 336.417 0.457 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCC[C@@H]2CC(N)=O)nc1 ZINC000343993320 268188045 /nfs/dbraw/zinc/18/80/45/268188045.db2.gz VGYQJFLQYRDKDO-CYBMUJFWSA-N 1 2 336.417 0.457 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1 ZINC000368964599 268188412 /nfs/dbraw/zinc/18/84/12/268188412.db2.gz PPAXEVVYUGRBDZ-IMJJTQAJSA-N 1 2 347.440 0.918 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1 ZINC000368964599 268188416 /nfs/dbraw/zinc/18/84/16/268188416.db2.gz PPAXEVVYUGRBDZ-IMJJTQAJSA-N 1 2 347.440 0.918 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2nnnn2CC2CC2)cc1 ZINC000521996363 268251233 /nfs/dbraw/zinc/25/12/33/268251233.db2.gz UIEBLQYMBPERDQ-UHFFFAOYSA-N 1 2 346.416 0.518 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)CN1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000374112687 280101735 /nfs/dbraw/zinc/10/17/35/280101735.db2.gz WXCWKDVJBCOBRC-CRAIPNDOSA-N 1 2 349.479 0.327 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCc3ncnn3C(C)(C)C)C[C@@H]21 ZINC000328879127 290078473 /nfs/dbraw/zinc/07/84/73/290078473.db2.gz LGZXDLZVCHFRPI-QWHCGFSZSA-N 1 2 336.440 0.852 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCc3ncnn3C(C)(C)C)C[C@@H]21 ZINC000328879127 290078474 /nfs/dbraw/zinc/07/84/74/290078474.db2.gz LGZXDLZVCHFRPI-QWHCGFSZSA-N 1 2 336.440 0.852 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000026202075 436159713 /nfs/dbraw/zinc/15/97/13/436159713.db2.gz KIBPYMTYEXJFDE-UHFFFAOYSA-N 1 2 327.392 0.087 20 30 ECEDLO N#CCC[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000029188230 436199465 /nfs/dbraw/zinc/19/94/65/436199465.db2.gz UOUYJVRQQYAVIC-UHFFFAOYSA-N 1 2 336.417 0.898 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000031582723 436230203 /nfs/dbraw/zinc/23/02/03/436230203.db2.gz DXMSRYJMJCBZJJ-BETUJISGSA-N 1 2 347.419 0.613 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000031582723 436230205 /nfs/dbraw/zinc/23/02/05/436230205.db2.gz DXMSRYJMJCBZJJ-BETUJISGSA-N 1 2 347.419 0.613 20 30 ECEDLO CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000041281551 436271952 /nfs/dbraw/zinc/27/19/52/436271952.db2.gz RELNTBALHVMZAE-INIZCTEOSA-N 1 2 344.415 0.970 20 30 ECEDLO C[C@H]1CN(C(=O)CN(CCC#N)CC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000078720401 436276200 /nfs/dbraw/zinc/27/62/00/436276200.db2.gz XSBBNCKCJFZFTB-HOTGVXAUSA-N 1 2 338.452 0.170 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(CC(=O)NC2CC2)CC1 ZINC000042627697 436308492 /nfs/dbraw/zinc/30/84/92/436308492.db2.gz HFRPWYSNKCUPMR-HNNXBMFYSA-N 1 2 334.464 0.472 20 30 ECEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)C[C@@H](O)CN1CCOCC1 ZINC000083245010 436371122 /nfs/dbraw/zinc/37/11/22/436371122.db2.gz PWJBPDJAQIYPML-CYBMUJFWSA-N 1 2 338.433 0.183 20 30 ECEDLO C[N@H+](CC(=O)Nc1sccc1C#N)C[C@@H](O)CN1CCOCC1 ZINC000083245010 436371125 /nfs/dbraw/zinc/37/11/25/436371125.db2.gz PWJBPDJAQIYPML-CYBMUJFWSA-N 1 2 338.433 0.183 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(C)cc2C(=O)NC)CC1 ZINC000085278516 436387278 /nfs/dbraw/zinc/38/72/78/436387278.db2.gz SLOULJFLXQUEPI-UHFFFAOYSA-N 1 2 328.416 0.544 20 30 ECEDLO C#CCN1CCN(C(=O)C[NH+]2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000089968953 436423119 /nfs/dbraw/zinc/42/31/19/436423119.db2.gz NXRCODWBECGVEY-UHFFFAOYSA-N 1 2 333.354 0.153 20 30 ECEDLO C[C@](C#N)(NC(=O)CN(CCC#N)CC[NH+]1CCOCC1)C1CC1 ZINC000096971680 436536525 /nfs/dbraw/zinc/53/65/25/436536525.db2.gz IHSBIFLNNIGESR-QGZVFWFLSA-N 1 2 333.436 0.343 20 30 ECEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2ncccc2C(N)=O)CC1 ZINC000102399851 436551442 /nfs/dbraw/zinc/55/14/42/436551442.db2.gz XPMWCWCVFFKJAB-UHFFFAOYSA-N 1 2 343.431 0.503 20 30 ECEDLO C#CCNC(=O)[C@H](C)N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000103491843 436555213 /nfs/dbraw/zinc/55/52/13/436555213.db2.gz JTLMCUOFBKNXKW-GJZGRUSLSA-N 1 2 334.464 0.189 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000103491843 436555217 /nfs/dbraw/zinc/55/52/17/436555217.db2.gz JTLMCUOFBKNXKW-GJZGRUSLSA-N 1 2 334.464 0.189 20 30 ECEDLO Cc1noc([C@@H](C)N2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)n1 ZINC000105864254 436582300 /nfs/dbraw/zinc/58/23/00/436582300.db2.gz PAQODXRUOJOZQF-OLZOCXBDSA-N 1 2 334.424 0.817 20 30 ECEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000057666283 436614528 /nfs/dbraw/zinc/61/45/28/436614528.db2.gz UTAGWMNFTWPGMW-ZDUSSCGKSA-N 1 2 330.388 0.642 20 30 ECEDLO Cc1cccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cnn(C)c2)c1C#N ZINC000181696618 302010896 /nfs/dbraw/zinc/01/08/96/302010896.db2.gz OKHVYSOXBMOJEB-HNNXBMFYSA-N 1 2 345.428 0.935 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060480814 436633584 /nfs/dbraw/zinc/63/35/84/436633584.db2.gz KAJIHDXYZAQNGA-CQSZACIVSA-N 1 2 331.420 0.616 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000112920664 436634607 /nfs/dbraw/zinc/63/46/07/436634607.db2.gz IYTLZEXYGRSZDS-UHFFFAOYSA-N 1 2 333.344 0.760 20 30 ECEDLO N#CC1(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCC1 ZINC000064033548 436647090 /nfs/dbraw/zinc/64/70/90/436647090.db2.gz MCVSPJJMLJMCST-CQSZACIVSA-N 1 2 334.420 0.120 20 30 ECEDLO N#Cc1ccc(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)cn1 ZINC000115382824 436647197 /nfs/dbraw/zinc/64/71/97/436647197.db2.gz FDVJBGHXMCEEHP-UHFFFAOYSA-N 1 2 341.415 0.627 20 30 ECEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2nccc(OC)n2)CC1 ZINC000064248411 436647872 /nfs/dbraw/zinc/64/78/72/436647872.db2.gz XUBDHKRFAPQJBI-UHFFFAOYSA-N 1 2 331.420 0.808 20 30 ECEDLO N#Cc1cnccc1NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000548480319 302304436 /nfs/dbraw/zinc/30/44/36/302304436.db2.gz DZYJAASOHYHNDX-UHFFFAOYSA-N 1 2 336.399 0.921 20 30 ECEDLO C#CC[N@@H+](C[C@@H](O)COc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000120459454 436688770 /nfs/dbraw/zinc/68/87/70/436688770.db2.gz CCQCREALVDGCNQ-HZPDHXFCSA-N 1 2 337.441 0.857 20 30 ECEDLO C#CC[N@H+](C[C@@H](O)COc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000120459454 436688772 /nfs/dbraw/zinc/68/87/72/436688772.db2.gz CCQCREALVDGCNQ-HZPDHXFCSA-N 1 2 337.441 0.857 20 30 ECEDLO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000120834390 436700262 /nfs/dbraw/zinc/70/02/62/436700262.db2.gz LKVVDEGAPJQJJU-ZDUSSCGKSA-N 1 2 327.381 0.447 20 30 ECEDLO C[N@H+]1CCO[C@@H](CNS(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000120834390 436700265 /nfs/dbraw/zinc/70/02/65/436700265.db2.gz LKVVDEGAPJQJJU-ZDUSSCGKSA-N 1 2 327.381 0.447 20 30 ECEDLO C=CC[N@@H+](C[C@@H](O)COCc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000121181280 436709732 /nfs/dbraw/zinc/70/97/32/436709732.db2.gz JQGWRKJIAQLJIR-ZIAGYGMSSA-N 1 2 329.418 0.832 20 30 ECEDLO C=CC[N@H+](C[C@@H](O)COCc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000121181280 436709735 /nfs/dbraw/zinc/70/97/35/436709735.db2.gz JQGWRKJIAQLJIR-ZIAGYGMSSA-N 1 2 329.418 0.832 20 30 ECEDLO C=CC[N@@H+](C)CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O ZINC000121249051 436712218 /nfs/dbraw/zinc/71/22/18/436712218.db2.gz LMVMSLMXDPNFPZ-UHFFFAOYSA-N 1 2 342.399 0.478 20 30 ECEDLO C=CC[N@H+](C)CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O ZINC000121249051 436712222 /nfs/dbraw/zinc/71/22/22/436712222.db2.gz LMVMSLMXDPNFPZ-UHFFFAOYSA-N 1 2 342.399 0.478 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000120422570 436686028 /nfs/dbraw/zinc/68/60/28/436686028.db2.gz BVABLMDSZZAZFT-HIFRSBDPSA-N 1 2 341.477 0.732 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000120422570 436686032 /nfs/dbraw/zinc/68/60/32/436686032.db2.gz BVABLMDSZZAZFT-HIFRSBDPSA-N 1 2 341.477 0.732 20 30 ECEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000153053113 436746517 /nfs/dbraw/zinc/74/65/17/436746517.db2.gz ZVLQCTGLXLZSFP-DLBZAZTESA-N 1 2 345.447 0.888 20 30 ECEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000153053113 436746521 /nfs/dbraw/zinc/74/65/21/436746521.db2.gz ZVLQCTGLXLZSFP-DLBZAZTESA-N 1 2 345.447 0.888 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(O)c(OC)c2)CC1 ZINC000272568362 436718301 /nfs/dbraw/zinc/71/83/01/436718301.db2.gz BSDRPHQDRREWOQ-UHFFFAOYSA-N 1 2 345.399 0.298 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(O)c(OC)c2)CC1 ZINC000272568362 436718304 /nfs/dbraw/zinc/71/83/04/436718304.db2.gz BSDRPHQDRREWOQ-UHFFFAOYSA-N 1 2 345.399 0.298 20 30 ECEDLO C=C[C@@H](C)NC(=O)N1CC[NH+]([C@H](C)C(=O)NCCCOC)CC1 ZINC000128215504 436813134 /nfs/dbraw/zinc/81/31/34/436813134.db2.gz SSVAVWJPJZZDCZ-ZIAGYGMSSA-N 1 2 326.441 0.429 20 30 ECEDLO C#CC[N@@H+](CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)C1CC1 ZINC000274018967 436793784 /nfs/dbraw/zinc/79/37/84/436793784.db2.gz BWQWSLQSDVPLIW-UHFFFAOYSA-N 1 2 332.404 0.616 20 30 ECEDLO C#CC[N@H+](CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)C1CC1 ZINC000274018967 436793786 /nfs/dbraw/zinc/79/37/86/436793786.db2.gz BWQWSLQSDVPLIW-UHFFFAOYSA-N 1 2 332.404 0.616 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCO[C@@H](c3cccc(O)c3)C2)CC1 ZINC000127000954 436795977 /nfs/dbraw/zinc/79/59/77/436795977.db2.gz YIENJONTIXVRPT-GOSISDBHSA-N 1 2 343.427 0.543 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000155586565 436798658 /nfs/dbraw/zinc/79/86/58/436798658.db2.gz QIKZHFWZEDKXDH-LBPRGKRZSA-N 1 2 342.363 0.664 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000155586565 436798662 /nfs/dbraw/zinc/79/86/62/436798662.db2.gz QIKZHFWZEDKXDH-LBPRGKRZSA-N 1 2 342.363 0.664 20 30 ECEDLO CCn1nccc1/C=C\C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000255009930 436848884 /nfs/dbraw/zinc/84/88/84/436848884.db2.gz NYSUNJYFFUEOPR-PLNGDYQASA-N 1 2 331.420 0.991 20 30 ECEDLO Cn1cc[nH+]c1[C@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)CCN1C ZINC000279976082 436854011 /nfs/dbraw/zinc/85/40/11/436854011.db2.gz HXDIGDAONOGXLG-RHSMWYFYSA-N 1 2 330.436 0.517 20 30 ECEDLO CC#CCNC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000135339059 436915182 /nfs/dbraw/zinc/91/51/82/436915182.db2.gz MXJPASNHBLUPDL-UHFFFAOYSA-N 1 2 329.404 0.606 20 30 ECEDLO C=CC[C@H](CC)NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000281495792 436975326 /nfs/dbraw/zinc/97/53/26/436975326.db2.gz QGCMCXRZNJNVDL-AWEZNQCLSA-N 1 2 349.435 0.625 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000171393946 436978405 /nfs/dbraw/zinc/97/84/05/436978405.db2.gz HUDVFXCWQCMPFH-OAHLLOKOSA-N 1 2 334.464 0.191 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)n1 ZINC000281056838 436943594 /nfs/dbraw/zinc/94/35/94/436943594.db2.gz YDZDOTYQTBXDRF-UHFFFAOYSA-N 1 2 328.420 0.791 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCCN(c3ccn(C)n3)C2=O)C1=O ZINC000281233211 436957006 /nfs/dbraw/zinc/95/70/06/436957006.db2.gz FOESEDNPANPBEE-KGLIPLIRSA-N 1 2 331.420 0.634 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(c3ccn(C)n3)C2=O)C1=O ZINC000281233211 436957008 /nfs/dbraw/zinc/95/70/08/436957008.db2.gz FOESEDNPANPBEE-KGLIPLIRSA-N 1 2 331.420 0.634 20 30 ECEDLO C#CCN(CC#N)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000281297428 436961316 /nfs/dbraw/zinc/96/13/16/436961316.db2.gz HPMDSKIIQDKKDE-UHFFFAOYSA-N 1 2 340.427 0.798 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C)CC1 ZINC000282607700 437017959 /nfs/dbraw/zinc/01/79/59/437017959.db2.gz YSFHHKINYPFRIV-UHFFFAOYSA-N 1 2 325.376 0.218 20 30 ECEDLO COCCN(CCC#N)S(=O)(=O)NCCc1cc[nH+]cc1C ZINC000281751835 436996040 /nfs/dbraw/zinc/99/60/40/436996040.db2.gz IYEWFHBUYQWHAA-UHFFFAOYSA-N 1 2 326.422 0.629 20 30 ECEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CC[NH+]1CCOCC1 ZINC000263878339 436997613 /nfs/dbraw/zinc/99/76/13/436997613.db2.gz PCIOPIGDHBUVEG-UHFFFAOYSA-N 1 2 346.431 0.999 20 30 ECEDLO CC(=O)NC[C@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CCO1 ZINC000172183517 437002397 /nfs/dbraw/zinc/00/23/97/437002397.db2.gz AUJIOEATUBVIGX-HNNXBMFYSA-N 1 2 330.388 0.724 20 30 ECEDLO CC(=O)NC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)CCO1 ZINC000172183517 437002399 /nfs/dbraw/zinc/00/23/99/437002399.db2.gz AUJIOEATUBVIGX-HNNXBMFYSA-N 1 2 330.388 0.724 20 30 ECEDLO Cn1cc([C@H]2C[NH2+]CCN2S(=O)(=O)c2ccc(C#N)cc2)cn1 ZINC000181690661 302937185 /nfs/dbraw/zinc/93/71/85/302937185.db2.gz HFPNULZMNCLSTQ-OAHLLOKOSA-N 1 2 331.401 0.627 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)OCCOC)n2CC=C)CC1 ZINC000282366733 437013099 /nfs/dbraw/zinc/01/30/99/437013099.db2.gz UDHJCGIXQWZSFS-HNNXBMFYSA-N 1 2 333.436 0.943 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000298564532 437043774 /nfs/dbraw/zinc/04/37/74/437043774.db2.gz LUCYPNDOZNSZSF-NWDGAFQWSA-N 1 2 331.438 0.143 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000298564532 437043779 /nfs/dbraw/zinc/04/37/79/437043779.db2.gz LUCYPNDOZNSZSF-NWDGAFQWSA-N 1 2 331.438 0.143 20 30 ECEDLO CCNC(=O)c1cccc(NC(=O)CO[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000284489480 437055759 /nfs/dbraw/zinc/05/57/59/437055759.db2.gz SGKVWDXUWMBYRI-CYBMUJFWSA-N 1 2 334.376 0.843 20 30 ECEDLO CC(=O)N1CC[NH+](CCNC(=O)c2ccccc2OCC#N)CC1 ZINC000299093743 437058242 /nfs/dbraw/zinc/05/82/42/437058242.db2.gz OGVYKRWLZKBZAY-UHFFFAOYSA-N 1 2 330.388 0.483 20 30 ECEDLO Cc1ccn2c(c1)nc(CO[NH+]=C(N)CN1CCOCC1)cc2=O ZINC000264695644 437065558 /nfs/dbraw/zinc/06/55/58/437065558.db2.gz IHSIVAQLZZBEFS-UHFFFAOYSA-N 1 2 331.376 0.124 20 30 ECEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000299454740 437078352 /nfs/dbraw/zinc/07/83/52/437078352.db2.gz ZMCFJBMAVLXVJX-HNNXBMFYSA-N 1 2 327.384 0.521 20 30 ECEDLO C#CCNc1nc(N(C)C[C@@H](C)OC)nc(N(C)C[C@@H](C)OC)[nH+]1 ZINC000286265726 437088634 /nfs/dbraw/zinc/08/86/34/437088634.db2.gz FISGTVCHJKAUQG-CHWSQXEVSA-N 1 2 336.440 0.859 20 30 ECEDLO C#CCNc1nc(N(C)C[C@@H](C)OC)[nH+]c(N(C)C[C@@H](C)OC)n1 ZINC000286265726 437088640 /nfs/dbraw/zinc/08/86/40/437088640.db2.gz FISGTVCHJKAUQG-CHWSQXEVSA-N 1 2 336.440 0.859 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C(C)(C)C)n[nH]2)CC1 ZINC000264885402 437100424 /nfs/dbraw/zinc/10/04/24/437100424.db2.gz ITWWNDVMRLFNTQ-UHFFFAOYSA-N 1 2 345.447 0.605 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C(C)(C)C)n[nH]2)CC1 ZINC000264885402 437100429 /nfs/dbraw/zinc/10/04/29/437100429.db2.gz ITWWNDVMRLFNTQ-UHFFFAOYSA-N 1 2 345.447 0.605 20 30 ECEDLO N#Cc1cccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000265504436 437141097 /nfs/dbraw/zinc/14/10/97/437141097.db2.gz QMJBYMZBVXVRJQ-INIZCTEOSA-N 1 2 342.399 0.221 20 30 ECEDLO CNC(=O)N[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000331534967 437114365 /nfs/dbraw/zinc/11/43/65/437114365.db2.gz HALNGOIZVJMCBB-HIFRSBDPSA-N 1 2 327.388 0.667 20 30 ECEDLO CNC(=O)N[C@@H]1CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000331534967 437114368 /nfs/dbraw/zinc/11/43/68/437114368.db2.gz HALNGOIZVJMCBB-HIFRSBDPSA-N 1 2 327.388 0.667 20 30 ECEDLO C#CC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000276828640 437164720 /nfs/dbraw/zinc/16/47/20/437164720.db2.gz QGSULZASRGKOQX-UHFFFAOYSA-N 1 2 335.429 0.085 20 30 ECEDLO C#CC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000276828640 437164724 /nfs/dbraw/zinc/16/47/24/437164724.db2.gz QGSULZASRGKOQX-UHFFFAOYSA-N 1 2 335.429 0.085 20 30 ECEDLO C#CCNC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000178149864 437208582 /nfs/dbraw/zinc/20/85/82/437208582.db2.gz AGOKWNORXOVYCE-CYBMUJFWSA-N 1 2 329.404 0.847 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332391054 437217711 /nfs/dbraw/zinc/21/77/11/437217711.db2.gz XETPPOLPMWAGOQ-XJKSGUPXSA-N 1 2 331.372 0.487 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332391054 437217713 /nfs/dbraw/zinc/21/77/13/437217713.db2.gz XETPPOLPMWAGOQ-XJKSGUPXSA-N 1 2 331.372 0.487 20 30 ECEDLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2C)CC1 ZINC000178820926 437231158 /nfs/dbraw/zinc/23/11/58/437231158.db2.gz YWFPRAJBOLHNJV-HNNXBMFYSA-N 1 2 337.445 0.944 20 30 ECEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000266782060 437240891 /nfs/dbraw/zinc/24/08/91/437240891.db2.gz TWEOGNSIHMXHMM-ZDUSSCGKSA-N 1 2 344.415 0.734 20 30 ECEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)NC[C@H]2CCOC2)cn1 ZINC000328626851 437241865 /nfs/dbraw/zinc/24/18/65/437241865.db2.gz FNHMQRBOSASFOH-SNPRPXQTSA-N 1 2 339.415 0.873 20 30 ECEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)NC[C@H]2CCOC2)cn1 ZINC000328626851 437241871 /nfs/dbraw/zinc/24/18/71/437241871.db2.gz FNHMQRBOSASFOH-SNPRPXQTSA-N 1 2 339.415 0.873 20 30 ECEDLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328663716 437249637 /nfs/dbraw/zinc/24/96/37/437249637.db2.gz BEJHOWWIQOSVST-GASCZTMLSA-N 1 2 348.403 0.432 20 30 ECEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000266904482 437263244 /nfs/dbraw/zinc/26/32/44/437263244.db2.gz HNNJOBNSBMZPMX-CYBMUJFWSA-N 1 2 338.433 0.623 20 30 ECEDLO COC(=O)C[C@@H]1CSCC[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000266904482 437263247 /nfs/dbraw/zinc/26/32/47/437263247.db2.gz HNNJOBNSBMZPMX-CYBMUJFWSA-N 1 2 338.433 0.623 20 30 ECEDLO C[C@@H]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@@H]1n1cc[nH+]c1 ZINC000336912233 437310125 /nfs/dbraw/zinc/31/01/25/437310125.db2.gz YRURNLYIYIQJHF-RDBSUJKOSA-N 1 2 339.421 0.235 20 30 ECEDLO CC(=O)N1CCC[C@@](O)(C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000329073643 437312398 /nfs/dbraw/zinc/31/23/98/437312398.db2.gz OZHFITAZSLEGQL-INIZCTEOSA-N 1 2 325.409 0.181 20 30 ECEDLO Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329099173 437317054 /nfs/dbraw/zinc/31/70/54/437317054.db2.gz YYZJEAPQBCEGLG-IHRRRGAJSA-N 1 2 334.424 0.740 20 30 ECEDLO Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329099173 437317059 /nfs/dbraw/zinc/31/70/59/437317059.db2.gz YYZJEAPQBCEGLG-IHRRRGAJSA-N 1 2 334.424 0.740 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000336948280 437317482 /nfs/dbraw/zinc/31/74/82/437317482.db2.gz QGYUVTMWRIZYSH-LSDHHAIUSA-N 1 2 345.513 0.328 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000267335939 437320378 /nfs/dbraw/zinc/32/03/78/437320378.db2.gz CMOAVKXBNKLZDE-CQSZACIVSA-N 1 2 331.420 0.616 20 30 ECEDLO CN(C)c1nccc(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000328881326 437277488 /nfs/dbraw/zinc/27/74/88/437277488.db2.gz MGBQGZRBTVCJFA-KBPBESRZSA-N 1 2 334.424 0.362 20 30 ECEDLO CN(C)c1nccc(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000328881326 437277491 /nfs/dbraw/zinc/27/74/91/437277491.db2.gz MGBQGZRBTVCJFA-KBPBESRZSA-N 1 2 334.424 0.362 20 30 ECEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NCCC(=O)N2CCCCC2)C1 ZINC000328914098 437284522 /nfs/dbraw/zinc/28/45/22/437284522.db2.gz PZLNMNVYXCDMOC-CQSZACIVSA-N 1 2 325.457 0.138 20 30 ECEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCCC(=O)N2CCCCC2)C1 ZINC000328914098 437284526 /nfs/dbraw/zinc/28/45/26/437284526.db2.gz PZLNMNVYXCDMOC-CQSZACIVSA-N 1 2 325.457 0.138 20 30 ECEDLO C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000329136221 437322170 /nfs/dbraw/zinc/32/21/70/437322170.db2.gz QXICLQKZXZSUQY-GUYCJALGSA-N 1 2 347.419 0.902 20 30 ECEDLO C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000329136221 437322174 /nfs/dbraw/zinc/32/21/74/437322174.db2.gz QXICLQKZXZSUQY-GUYCJALGSA-N 1 2 347.419 0.902 20 30 ECEDLO C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000328950897 437290845 /nfs/dbraw/zinc/29/08/45/437290845.db2.gz LKWDKZYMSLYVJH-MJBXVCDLSA-N 1 2 325.409 0.301 20 30 ECEDLO C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1C(=O)NCC[NH+]1CCOCC1 ZINC000328955293 437292773 /nfs/dbraw/zinc/29/27/73/437292773.db2.gz NFTMXTHHLXDQGB-INMHGKMJSA-N 1 2 341.452 0.485 20 30 ECEDLO COc1nnccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000288649885 437341676 /nfs/dbraw/zinc/34/16/76/437341676.db2.gz ABTHKNGBHVDTGA-UHFFFAOYSA-N 1 2 334.380 0.565 20 30 ECEDLO C#Cc1cccc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c1 ZINC000288848165 437361755 /nfs/dbraw/zinc/36/17/55/437361755.db2.gz DTYRGNXKDAJJEJ-PBHICJAKSA-N 1 2 341.411 0.928 20 30 ECEDLO C[C@H](C(=O)N(C)CC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)n1cccn1 ZINC000329389512 437361904 /nfs/dbraw/zinc/36/19/04/437361904.db2.gz UMZDYPLMNYZMGE-KGLIPLIRSA-N 1 2 336.440 0.105 20 30 ECEDLO C[C@H](C(=O)N(C)CC(=O)NC[C@H]1CN(C)CC[N@H+]1C)n1cccn1 ZINC000329389512 437361909 /nfs/dbraw/zinc/36/19/09/437361909.db2.gz UMZDYPLMNYZMGE-KGLIPLIRSA-N 1 2 336.440 0.105 20 30 ECEDLO Cc1cccc2c(=O)n(CC(=O)NC[C@@H]3CN(C)CC[N@@H+]3C)cnc12 ZINC000329480337 437375017 /nfs/dbraw/zinc/37/50/17/437375017.db2.gz PFXBAGDUQZBTNZ-CQSZACIVSA-N 1 2 343.431 0.907 20 30 ECEDLO Cc1cccc2c(=O)n(CC(=O)NC[C@@H]3CN(C)CC[N@H+]3C)cnc12 ZINC000329480337 437375020 /nfs/dbraw/zinc/37/50/20/437375020.db2.gz PFXBAGDUQZBTNZ-CQSZACIVSA-N 1 2 343.431 0.907 20 30 ECEDLO Cc1cc(N(CCC#N)C(=O)C[NH+]2C[C@H](O)[C@@H](O)C2)ccc1Cl ZINC000278583100 437324500 /nfs/dbraw/zinc/32/45/00/437324500.db2.gz CWZYACKHXGLGDA-GJZGRUSLSA-N 1 2 337.807 0.933 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000337063648 437325471 /nfs/dbraw/zinc/32/54/71/437325471.db2.gz ITQMKZQASGXGIL-HNNXBMFYSA-N 1 2 346.497 0.755 20 30 ECEDLO Cc1cc(NC(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc[nH+]1 ZINC000329216897 437335953 /nfs/dbraw/zinc/33/59/53/437335953.db2.gz PGAWDRVWHYSZQD-UKRRQHHQSA-N 1 2 339.417 0.874 20 30 ECEDLO CSc1nnc(CNC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)s1 ZINC000329742237 437407929 /nfs/dbraw/zinc/40/79/29/437407929.db2.gz WKMBHPSZINXTSY-DTWKUNHWSA-N 1 2 329.451 0.689 20 30 ECEDLO CSc1nnc(CNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)s1 ZINC000329742237 437407935 /nfs/dbraw/zinc/40/79/35/437407935.db2.gz WKMBHPSZINXTSY-DTWKUNHWSA-N 1 2 329.451 0.689 20 30 ECEDLO O=C(C[C@H]1CCOC1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329784233 437413195 /nfs/dbraw/zinc/41/31/95/437413195.db2.gz PDVMGUDKDLTZKX-KGLIPLIRSA-N 1 2 325.409 0.303 20 30 ECEDLO Cc1nc(C)c(C(=O)NCC(=O)NCC[NH+]2CCOCC2)nc1C ZINC000329808653 437416379 /nfs/dbraw/zinc/41/63/79/437416379.db2.gz PJSYQUJDRYMZSC-UHFFFAOYSA-N 1 2 335.408 0.995 20 30 ECEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279123583 437378042 /nfs/dbraw/zinc/37/80/42/437378042.db2.gz VABBUFRWNDMYDE-GTNSWQLSSA-N 1 2 341.371 0.559 20 30 ECEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279123583 437378047 /nfs/dbraw/zinc/37/80/47/437378047.db2.gz VABBUFRWNDMYDE-GTNSWQLSSA-N 1 2 341.371 0.559 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000337771021 437378565 /nfs/dbraw/zinc/37/85/65/437378565.db2.gz OGSHNLRZXOTPMW-MCIONIFRSA-N 1 2 332.470 0.506 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000337771021 437378569 /nfs/dbraw/zinc/37/85/69/437378569.db2.gz OGSHNLRZXOTPMW-MCIONIFRSA-N 1 2 332.470 0.506 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCCS2(=O)=O)[C@H](C)C1 ZINC000329585334 437387719 /nfs/dbraw/zinc/38/77/19/437387719.db2.gz YCGXODLWDUSAQH-RDBSUJKOSA-N 1 2 347.481 0.255 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CCCCS2(=O)=O)[C@H](C)C1 ZINC000329585334 437387723 /nfs/dbraw/zinc/38/77/23/437387723.db2.gz YCGXODLWDUSAQH-RDBSUJKOSA-N 1 2 347.481 0.255 20 30 ECEDLO Cc1cnn([C@@H]2CCN(C([O-])=[NH+][C@H](C)CN3CC[NH+](C)CC3)C2)c1 ZINC000329616005 437390545 /nfs/dbraw/zinc/39/05/45/437390545.db2.gz PQVFOHFEUXMMGV-HZPDHXFCSA-N 1 2 334.468 0.988 20 30 ECEDLO Cc1cnn([C@@H]2CCN(C(=O)N[C@H](C)C[NH+]3CCN(C)CC3)C2)c1 ZINC000329616005 437390548 /nfs/dbraw/zinc/39/05/48/437390548.db2.gz PQVFOHFEUXMMGV-HZPDHXFCSA-N 1 2 334.468 0.988 20 30 ECEDLO CC[C@@H]1CN(S(=O)(=O)CC2(C#N)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000329623288 437393191 /nfs/dbraw/zinc/39/31/91/437393191.db2.gz NUDAIRCPIGCCEK-ZIAGYGMSSA-N 1 2 327.450 0.663 20 30 ECEDLO [O-]C(=[NH+][C@H]1CCc2c[nH]nc2C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329681264 437400961 /nfs/dbraw/zinc/40/09/61/437400961.db2.gz WUPWKRYNIGNMKF-GJZGRUSLSA-N 1 2 333.436 0.978 20 30 ECEDLO O=C(N[C@H]1CCc2c[nH]nc2C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329681264 437400964 /nfs/dbraw/zinc/40/09/64/437400964.db2.gz WUPWKRYNIGNMKF-GJZGRUSLSA-N 1 2 333.436 0.978 20 30 ECEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC[C@H]1COCCO1 ZINC000330302123 437481083 /nfs/dbraw/zinc/48/10/83/437481083.db2.gz ODUSZDUGMRNZCV-ZDUSSCGKSA-N 1 2 336.392 0.968 20 30 ECEDLO CCOc1ccccc1C(=O)NCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329931925 437433044 /nfs/dbraw/zinc/43/30/44/437433044.db2.gz PGHOSISWILIHOX-ZBFHGGJFSA-N 1 2 347.415 0.931 20 30 ECEDLO CCOc1ccccc1C(=O)NCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329931925 437433049 /nfs/dbraw/zinc/43/30/49/437433049.db2.gz PGHOSISWILIHOX-ZBFHGGJFSA-N 1 2 347.415 0.931 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCN(c4ccccc4)C3=O)C[C@H]21 ZINC000329972965 437438966 /nfs/dbraw/zinc/43/89/66/437438966.db2.gz WMGRSFNKMVEWHE-BZUAXINKSA-N 1 2 344.415 0.721 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCN(c4ccccc4)C3=O)C[C@H]21 ZINC000329972965 437438969 /nfs/dbraw/zinc/43/89/69/437438969.db2.gz WMGRSFNKMVEWHE-BZUAXINKSA-N 1 2 344.415 0.721 20 30 ECEDLO CCc1nc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)co1 ZINC000330049005 437448427 /nfs/dbraw/zinc/44/84/27/437448427.db2.gz IZMZSAHPKDOWHF-GFCCVEGCSA-N 1 2 336.392 0.475 20 30 ECEDLO O=C(NC[C@H]1CCCS1(=O)=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000330146055 437460550 /nfs/dbraw/zinc/46/05/50/437460550.db2.gz SPKYHVXHMOHQPW-ZIAGYGMSSA-N 1 2 345.465 0.132 20 30 ECEDLO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000330196673 437467611 /nfs/dbraw/zinc/46/76/11/437467611.db2.gz QQTRMUBMOLVNAI-OLZOCXBDSA-N 1 2 326.422 0.757 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000330373820 437493707 /nfs/dbraw/zinc/49/37/07/437493707.db2.gz LQUQIATZLCEFBI-ZIAGYGMSSA-N 1 2 337.449 0.976 20 30 ECEDLO CC(C)C(=O)NC1CCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000330412422 437504415 /nfs/dbraw/zinc/50/44/15/437504415.db2.gz SHWKOHUHOHFICN-AWEZNQCLSA-N 1 2 340.468 0.858 20 30 ECEDLO C[C@H](CC[NH+]1CCN(C)CC1)NS(=O)(=O)N(C)[C@@H](C)CC#N ZINC000330435324 437510423 /nfs/dbraw/zinc/51/04/23/437510423.db2.gz YJQZFDBXXJNULP-KGLIPLIRSA-N 1 2 331.486 0.081 20 30 ECEDLO Cc1ccc(S(N)(=O)=O)c(C(=O)NC[C@H](C)[NH+]2CCOCC2)c1 ZINC000330483605 437527025 /nfs/dbraw/zinc/52/70/25/437527025.db2.gz VAZUZQWMJGMGJE-LBPRGKRZSA-N 1 2 341.433 0.668 20 30 ECEDLO C=C[C@@H](CO)NC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000290871610 437538378 /nfs/dbraw/zinc/53/83/78/437538378.db2.gz FCLWTJZBBNMKEI-DLBZAZTESA-N 1 2 333.432 0.776 20 30 ECEDLO C[C@H]([C@H](C)NC(=O)c1coc(S(N)(=O)=O)c1)[NH+]1CCOCC1 ZINC000330543235 437547400 /nfs/dbraw/zinc/54/74/00/437547400.db2.gz TUVFJCLWDNJCAK-VHSXEESVSA-N 1 2 331.394 0.341 20 30 ECEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1OC ZINC000330555424 437549905 /nfs/dbraw/zinc/54/99/05/437549905.db2.gz GTJSKQHFDJYFTA-IGQOVBAYSA-N 1 2 327.425 0.941 20 30 ECEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1OC ZINC000330555424 437549908 /nfs/dbraw/zinc/54/99/08/437549908.db2.gz GTJSKQHFDJYFTA-IGQOVBAYSA-N 1 2 327.425 0.941 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2nnn(Cc3cc(C)no3)c2C)CC1 ZINC000292260161 437673885 /nfs/dbraw/zinc/67/38/85/437673885.db2.gz MYTYTYQVHPNSHF-UHFFFAOYSA-N 1 2 342.403 0.712 20 30 ECEDLO C[N@H+](CC(=O)Nc1sccc1C#N)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292260048 437674878 /nfs/dbraw/zinc/67/48/78/437674878.db2.gz RLCBIQRGOPPIRB-NSHDSACASA-N 1 2 342.446 0.524 20 30 ECEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292260048 437674879 /nfs/dbraw/zinc/67/48/79/437674879.db2.gz RLCBIQRGOPPIRB-NSHDSACASA-N 1 2 342.446 0.524 20 30 ECEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000292408248 437686959 /nfs/dbraw/zinc/68/69/59/437686959.db2.gz YEYKJOYQNCXYEN-HUUCEWRRSA-N 1 2 334.420 0.829 20 30 ECEDLO COc1ccccc1[C@H](CNS(=O)(=O)N(C)CCC#N)[NH+](C)C ZINC000355228029 437687568 /nfs/dbraw/zinc/68/75/68/437687568.db2.gz VLYFWDBGZQHUDJ-AWEZNQCLSA-N 1 2 340.449 0.978 20 30 ECEDLO C[C@@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)[NH+]1CCN(C)CC1 ZINC000355309863 437695823 /nfs/dbraw/zinc/69/58/23/437695823.db2.gz NWCZWUPJBQUZTB-HNNXBMFYSA-N 1 2 342.447 0.238 20 30 ECEDLO C[C@H](CS(C)(=O)=O)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000331242634 437726576 /nfs/dbraw/zinc/72/65/76/437726576.db2.gz YEFUQAZGZXMAHQ-VXGBXAGGSA-N 1 2 335.470 0.111 20 30 ECEDLO C[C@H](CS(C)(=O)=O)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000331242634 437726580 /nfs/dbraw/zinc/72/65/80/437726580.db2.gz YEFUQAZGZXMAHQ-VXGBXAGGSA-N 1 2 335.470 0.111 20 30 ECEDLO COC[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H](C)O1 ZINC000331259177 437727889 /nfs/dbraw/zinc/72/78/89/437727889.db2.gz HLXNTSGQMSATRU-KBPBESRZSA-N 1 2 329.441 0.747 20 30 ECEDLO COC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)C[C@H](C)O1 ZINC000331263778 437728809 /nfs/dbraw/zinc/72/88/09/437728809.db2.gz OCYTZCDVEKERGW-AEJSXWLSSA-N 1 2 341.330 0.703 20 30 ECEDLO COC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)C[C@H](C)O1 ZINC000331263778 437728811 /nfs/dbraw/zinc/72/88/11/437728811.db2.gz OCYTZCDVEKERGW-AEJSXWLSSA-N 1 2 341.330 0.703 20 30 ECEDLO C[C@H]([C@H](C)NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)[NH+]1CCOCC1 ZINC000362731264 437751830 /nfs/dbraw/zinc/75/18/30/437751830.db2.gz NZFBUAYROUKCRU-SQWLQELKSA-N 1 2 335.452 0.477 20 30 ECEDLO CC[C@@H](C)[C@H](NC(=O)CCCC#N)C(=O)NCC[NH+]1CCOCC1 ZINC000362778480 437753124 /nfs/dbraw/zinc/75/31/24/437753124.db2.gz AVXOAKAIGKGLDM-ZBFHGGJFSA-N 1 2 338.452 0.660 20 30 ECEDLO Cc1[nH]nc(NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)c1C#N ZINC000356169715 437753748 /nfs/dbraw/zinc/75/37/48/437753748.db2.gz LQOXREVZRGGFNP-CYBMUJFWSA-N 1 2 343.391 1.025 20 30 ECEDLO Cc1[nH]nc(NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)c1C#N ZINC000356169715 437753752 /nfs/dbraw/zinc/75/37/52/437753752.db2.gz LQOXREVZRGGFNP-CYBMUJFWSA-N 1 2 343.391 1.025 20 30 ECEDLO N#CCCN(CC1CC1)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000362881532 437759652 /nfs/dbraw/zinc/75/96/52/437759652.db2.gz YBVXMDVRLOEHDV-INIZCTEOSA-N 1 2 348.447 0.319 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000347009504 437825571 /nfs/dbraw/zinc/82/55/71/437825571.db2.gz GSMUBBVOSMZEJJ-GUTXKFCHSA-N 1 2 332.404 0.412 20 30 ECEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)CCC1 ZINC000347033334 437826984 /nfs/dbraw/zinc/82/69/84/437826984.db2.gz NBYWIFSYENNRSC-CYBMUJFWSA-N 1 2 340.449 0.049 20 30 ECEDLO N#CC1(NC(=O)C[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)CCC1 ZINC000347033334 437826989 /nfs/dbraw/zinc/82/69/89/437826989.db2.gz NBYWIFSYENNRSC-CYBMUJFWSA-N 1 2 340.449 0.049 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000345274984 437786671 /nfs/dbraw/zinc/78/66/71/437786671.db2.gz TYWFBQQQGXIMLE-UONOGXRCSA-N 1 2 330.454 0.262 20 30 ECEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCN(c2ncccn2)CC1)C1CC1 ZINC000363448405 437791948 /nfs/dbraw/zinc/79/19/48/437791948.db2.gz FYZVFTKCSVYGKF-QGZVFWFLSA-N 1 2 328.420 0.797 20 30 ECEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCN(c2ncccn2)CC1)C1CC1 ZINC000363448405 437791954 /nfs/dbraw/zinc/79/19/54/437791954.db2.gz FYZVFTKCSVYGKF-QGZVFWFLSA-N 1 2 328.420 0.797 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCc2nn(CC)c(=O)cc2C1 ZINC000363559927 437798489 /nfs/dbraw/zinc/79/84/89/437798489.db2.gz TXHHNKZEUHWAEL-LLVKDONJSA-N 1 2 333.392 0.022 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCc2nn(CC)c(=O)cc2C1 ZINC000363559927 437798494 /nfs/dbraw/zinc/79/84/94/437798494.db2.gz TXHHNKZEUHWAEL-LLVKDONJSA-N 1 2 333.392 0.022 20 30 ECEDLO C[C@@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)CCN1S(C)(=O)=O ZINC000346237677 437806843 /nfs/dbraw/zinc/80/68/43/437806843.db2.gz RQXCZYQPOHJSPF-GFCCVEGCSA-N 1 2 333.417 0.672 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCSC[C@H]1CC(=O)OC ZINC000356657647 437807123 /nfs/dbraw/zinc/80/71/23/437807123.db2.gz AVRFBZOYNUFNIS-GHMZBOCLSA-N 1 2 329.422 0.367 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCSC[C@H]1CC(=O)OC ZINC000356657647 437807126 /nfs/dbraw/zinc/80/71/26/437807126.db2.gz AVRFBZOYNUFNIS-GHMZBOCLSA-N 1 2 329.422 0.367 20 30 ECEDLO N#C[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CC2)CCN1C1CC1 ZINC000365044403 437850894 /nfs/dbraw/zinc/85/08/94/437850894.db2.gz MEHKYMVUWZOBSD-HNNXBMFYSA-N 1 2 333.436 0.233 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000365281423 437886556 /nfs/dbraw/zinc/88/65/56/437886556.db2.gz HCRAEBLDNFEKGR-OCCSQVGLSA-N 1 2 330.454 0.054 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000365281423 437886558 /nfs/dbraw/zinc/88/65/58/437886558.db2.gz HCRAEBLDNFEKGR-OCCSQVGLSA-N 1 2 330.454 0.054 20 30 ECEDLO CN(Cc1[nH]cc[nH+]1)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000347517435 437902632 /nfs/dbraw/zinc/90/26/32/437902632.db2.gz LQVXWKGHRMSRMW-UHFFFAOYSA-N 1 2 347.400 0.560 20 30 ECEDLO CC[C@@H](C)[C@H](NC(=O)C[NH+]1CCC(C#N)(COC)CC1)C(=O)OC ZINC000341998646 437938193 /nfs/dbraw/zinc/93/81/93/437938193.db2.gz VHUJFPLIRMDPEI-HIFRSBDPSA-N 1 2 339.436 0.942 20 30 ECEDLO N#CC1(C(=O)N[C@@H]2CCCN(CC[NH+]3CCOCC3)C2=O)CCCC1 ZINC000371658791 437972964 /nfs/dbraw/zinc/97/29/64/437972964.db2.gz DIGUJJTZBDOQOM-OAHLLOKOSA-N 1 2 348.447 0.510 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCO[C@H](CC)C2)CC1 ZINC000371672793 437974921 /nfs/dbraw/zinc/97/49/21/437974921.db2.gz VFJOLWKGFJNHPU-JKSUJKDBSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCO[C@H](CC)C2)CC1 ZINC000371672793 437974923 /nfs/dbraw/zinc/97/49/23/437974923.db2.gz VFJOLWKGFJNHPU-JKSUJKDBSA-N 1 2 335.448 0.475 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000416668768 437985349 /nfs/dbraw/zinc/98/53/49/437985349.db2.gz RCWYSABPGKKZEU-ZIAGYGMSSA-N 1 2 337.445 0.775 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000416668768 437985355 /nfs/dbraw/zinc/98/53/55/437985355.db2.gz RCWYSABPGKKZEU-ZIAGYGMSSA-N 1 2 337.445 0.775 20 30 ECEDLO N#CC1(C(=O)NC[C@]2([NH+]3CCOCC3)CCCOC2)CCOCC1 ZINC000366289479 438048058 /nfs/dbraw/zinc/04/80/58/438048058.db2.gz KIMIYIACJOGLCR-QGZVFWFLSA-N 1 2 337.420 0.304 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000425910571 438048499 /nfs/dbraw/zinc/04/84/99/438048499.db2.gz WOMIOAFJZDJZFP-UGUYLWEFSA-N 1 2 346.431 1.000 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccn(CCC#N)n1 ZINC000428901360 438095225 /nfs/dbraw/zinc/09/52/25/438095225.db2.gz KPYSWIURUPKLPH-UHFFFAOYSA-N 1 2 345.407 0.877 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)Cc2ccnn2C)CC1 ZINC000348372771 438055401 /nfs/dbraw/zinc/05/54/01/438055401.db2.gz ORMVFXIISFXNAU-INIZCTEOSA-N 1 2 332.452 0.544 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)Cc2ccnn2C)CC1 ZINC000348372771 438055405 /nfs/dbraw/zinc/05/54/05/438055405.db2.gz ORMVFXIISFXNAU-INIZCTEOSA-N 1 2 332.452 0.544 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2n[nH]cc2C(=O)N(C)C)C1 ZINC000372279055 438062842 /nfs/dbraw/zinc/06/28/42/438062842.db2.gz WKGMVXLQCORFOB-STQMWFEESA-N 1 2 331.420 0.429 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](c2n[nH]cc2C(=O)N(C)C)C1 ZINC000372279055 438062847 /nfs/dbraw/zinc/06/28/47/438062847.db2.gz WKGMVXLQCORFOB-STQMWFEESA-N 1 2 331.420 0.429 20 30 ECEDLO C=C[C@H](CO)NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000426848621 438072232 /nfs/dbraw/zinc/07/22/32/438072232.db2.gz PSMWBXOEPNUVGK-GFCCVEGCSA-N 1 2 326.418 0.299 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000366785229 438126682 /nfs/dbraw/zinc/12/66/82/438126682.db2.gz GHILTKLPFJJRHM-HEHGZKQESA-N 1 2 325.409 0.657 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000366785229 438126685 /nfs/dbraw/zinc/12/66/85/438126685.db2.gz GHILTKLPFJJRHM-HEHGZKQESA-N 1 2 325.409 0.657 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C[C@H]1CCCCC(=O)N1 ZINC000366949495 438146586 /nfs/dbraw/zinc/14/65/86/438146586.db2.gz BPXKWKBRFLLTHH-OAHLLOKOSA-N 1 2 336.436 0.510 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000373900918 438174961 /nfs/dbraw/zinc/17/49/61/438174961.db2.gz WJAAHTFUBMKTOB-WBVHZDCISA-N 1 2 341.411 0.938 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000373900918 438174966 /nfs/dbraw/zinc/17/49/66/438174966.db2.gz WJAAHTFUBMKTOB-WBVHZDCISA-N 1 2 341.411 0.938 20 30 ECEDLO Cc1nn(C)c(N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)c1C#N ZINC000349853462 438184108 /nfs/dbraw/zinc/18/41/08/438184108.db2.gz MBVQXYJFHVYHEL-UHFFFAOYSA-N 1 2 344.379 0.527 20 30 ECEDLO N#C[C@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CCN1C1CC1 ZINC000376736913 438291530 /nfs/dbraw/zinc/29/15/30/438291530.db2.gz UKCICSTUCKDOFF-DLBZAZTESA-N 1 2 332.448 0.686 20 30 ECEDLO N#C[C@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CCN1C1CC1 ZINC000376736913 438291533 /nfs/dbraw/zinc/29/15/33/438291533.db2.gz UKCICSTUCKDOFF-DLBZAZTESA-N 1 2 332.448 0.686 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCCCNC3=O)CC2)cn1 ZINC000377978519 438335637 /nfs/dbraw/zinc/33/56/37/438335637.db2.gz PWGYHBVSSIFZMP-HNNXBMFYSA-N 1 2 327.388 0.380 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)c1 ZINC000359048253 438348363 /nfs/dbraw/zinc/34/83/63/438348363.db2.gz QNHJFWZBIYYRFD-UHFFFAOYSA-N 1 2 337.383 0.943 20 30 ECEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000369060857 438420282 /nfs/dbraw/zinc/42/02/82/438420282.db2.gz CMLQQTXYYUBIFQ-HNNXBMFYSA-N 1 2 331.420 0.633 20 30 ECEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000369060857 438420285 /nfs/dbraw/zinc/42/02/85/438420285.db2.gz CMLQQTXYYUBIFQ-HNNXBMFYSA-N 1 2 331.420 0.633 20 30 ECEDLO CN(C[C@H]1CCC[N@H+](CC(=O)NC2(C#N)CCC2)C1)S(C)(=O)=O ZINC000352561773 438443548 /nfs/dbraw/zinc/44/35/48/438443548.db2.gz HAPLHRPFBPKXKS-CYBMUJFWSA-N 1 2 342.465 0.152 20 30 ECEDLO CN(C[C@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCC2)C1)S(C)(=O)=O ZINC000352561773 438443552 /nfs/dbraw/zinc/44/35/52/438443552.db2.gz HAPLHRPFBPKXKS-CYBMUJFWSA-N 1 2 342.465 0.152 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000352571425 438446167 /nfs/dbraw/zinc/44/61/67/438446167.db2.gz UVYDRBTVCKIYQL-QWHCGFSZSA-N 1 2 330.454 0.103 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000352571425 438446172 /nfs/dbraw/zinc/44/61/72/438446172.db2.gz UVYDRBTVCKIYQL-QWHCGFSZSA-N 1 2 330.454 0.103 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000369287319 438447785 /nfs/dbraw/zinc/44/77/85/438447785.db2.gz GHDQFVJBAHXFFY-OLZOCXBDSA-N 1 2 330.454 0.008 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000369287319 438447791 /nfs/dbraw/zinc/44/77/91/438447791.db2.gz GHDQFVJBAHXFFY-OLZOCXBDSA-N 1 2 330.454 0.008 20 30 ECEDLO CC[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C[C@H](C)C#N ZINC000353284806 438503182 /nfs/dbraw/zinc/50/31/82/438503182.db2.gz GGKVVXISYPKSTC-CQSZACIVSA-N 1 2 346.497 0.644 20 30 ECEDLO CC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C[C@H](C)C#N ZINC000353284806 438503187 /nfs/dbraw/zinc/50/31/87/438503187.db2.gz GGKVVXISYPKSTC-CQSZACIVSA-N 1 2 346.497 0.644 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2CCC[C@H](OC)C2)CC1 ZINC000369797425 438515563 /nfs/dbraw/zinc/51/55/63/438515563.db2.gz VGTWPWOXGOREMI-SJORKVTESA-N 1 2 349.475 0.865 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2CCC[C@H](OC)C2)CC1 ZINC000369797425 438515564 /nfs/dbraw/zinc/51/55/64/438515564.db2.gz VGTWPWOXGOREMI-SJORKVTESA-N 1 2 349.475 0.865 20 30 ECEDLO C#CCN(CC#C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000369802611 438516500 /nfs/dbraw/zinc/51/65/00/438516500.db2.gz DTHZRKIMOQDCIR-LJQANCHMSA-N 1 2 339.439 0.572 20 30 ECEDLO C#CCN(CC#C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000369802611 438516503 /nfs/dbraw/zinc/51/65/03/438516503.db2.gz DTHZRKIMOQDCIR-LJQANCHMSA-N 1 2 339.439 0.572 20 30 ECEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000452106634 438640040 /nfs/dbraw/zinc/64/00/40/438640040.db2.gz QPLORYKSXHJCSW-GFCCVEGCSA-N 1 2 339.417 0.254 20 30 ECEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000452106634 438640044 /nfs/dbraw/zinc/64/00/44/438640044.db2.gz QPLORYKSXHJCSW-GFCCVEGCSA-N 1 2 339.417 0.254 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCc2ccc(C#N)cc2)CC1 ZINC000494549051 438696791 /nfs/dbraw/zinc/69/67/91/438696791.db2.gz PFCITKIDRPWZIE-UHFFFAOYSA-N 1 2 329.404 0.649 20 30 ECEDLO COc1ccc(-n2nnnc2SC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000414097544 438699742 /nfs/dbraw/zinc/69/97/42/438699742.db2.gz NOQWCXXKFHSKCD-ZDUSSCGKSA-N 1 2 348.432 0.969 20 30 ECEDLO COc1ccc(-n2nnnc2SC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000414097544 438699745 /nfs/dbraw/zinc/69/97/45/438699745.db2.gz NOQWCXXKFHSKCD-ZDUSSCGKSA-N 1 2 348.432 0.969 20 30 ECEDLO N#Cc1ncn(CC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)n1 ZINC000495063545 438717780 /nfs/dbraw/zinc/71/77/80/438717780.db2.gz XRXLXHCXDRTRAF-UHFFFAOYSA-N 1 2 325.307 0.791 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000576707673 438795558 /nfs/dbraw/zinc/79/55/58/438795558.db2.gz XNULBNMAJWZXLY-QGZVFWFLSA-N 1 2 343.362 0.945 20 30 ECEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CNc1ccc(C#N)cn1 ZINC000557582652 438802292 /nfs/dbraw/zinc/80/22/92/438802292.db2.gz UCHQWVLAGWPCJG-HIFRSBDPSA-N 1 2 329.404 0.687 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)C(=O)N2CCc3ccc(C#N)cc32)CCO1 ZINC000555799294 438776766 /nfs/dbraw/zinc/77/67/66/438776766.db2.gz MJPFAFHRYWOQGX-CYBMUJFWSA-N 1 2 342.399 0.284 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(=O)N2CCc3ccc(C#N)cc32)CCO1 ZINC000555799294 438776769 /nfs/dbraw/zinc/77/67/69/438776769.db2.gz MJPFAFHRYWOQGX-CYBMUJFWSA-N 1 2 342.399 0.284 20 30 ECEDLO COc1cccc(COC[C@H](O)C[NH+]2CCN(C(=O)CC#N)CC2)c1 ZINC000577072957 438811635 /nfs/dbraw/zinc/81/16/35/438811635.db2.gz GAWCDLCGZWFPAM-MRXNPFEDSA-N 1 2 347.415 0.631 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)CC1(C#N)CCCC1 ZINC000577206672 438824095 /nfs/dbraw/zinc/82/40/95/438824095.db2.gz KCDJCHGYWZIRPQ-UONOGXRCSA-N 1 2 329.466 0.787 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)CC1(C#N)CCCC1 ZINC000577206672 438824099 /nfs/dbraw/zinc/82/40/99/438824099.db2.gz KCDJCHGYWZIRPQ-UONOGXRCSA-N 1 2 329.466 0.787 20 30 ECEDLO C[C@@H](O)[C@H]1CCN(c2cc(N3CCN(CCC#N)CC3)nc[nH+]2)C1 ZINC000601262326 438837532 /nfs/dbraw/zinc/83/75/32/438837532.db2.gz ZWXOQDVNVRYUSF-CABCVRRESA-N 1 2 330.436 0.719 20 30 ECEDLO C=CC[C@@H]1CCC[N@H+](CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000595659065 438840150 /nfs/dbraw/zinc/84/01/50/438840150.db2.gz JEGQJSBLLOLDKR-OLZOCXBDSA-N 1 2 343.449 0.287 20 30 ECEDLO C=CC[C@@H]1CCC[N@@H+](CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000595659065 438840153 /nfs/dbraw/zinc/84/01/53/438840153.db2.gz JEGQJSBLLOLDKR-OLZOCXBDSA-N 1 2 343.449 0.287 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1csc(N2CCCC2=O)n1 ZINC000562322818 438851131 /nfs/dbraw/zinc/85/11/31/438851131.db2.gz QESMHMZEEGWGBV-HNNXBMFYSA-N 1 2 335.433 0.772 20 30 ECEDLO COC(=O)[C@@](C)(O)C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000588962305 438851352 /nfs/dbraw/zinc/85/13/52/438851352.db2.gz QDJIHVRTIXMGQJ-INIZCTEOSA-N 1 2 334.376 0.470 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000601453424 438899429 /nfs/dbraw/zinc/89/94/29/438899429.db2.gz SQVXQOYGTXOQLB-HZSPNIEDSA-N 1 2 344.481 0.412 20 30 ECEDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000589188999 438860517 /nfs/dbraw/zinc/86/05/17/438860517.db2.gz ZTBWVKLYERFLKP-GFCCVEGCSA-N 1 2 331.372 0.973 20 30 ECEDLO CC(=O)NCC[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000515349967 438862725 /nfs/dbraw/zinc/86/27/25/438862725.db2.gz JFLIZRLIHUZSSV-UHFFFAOYSA-N 1 2 340.387 0.750 20 30 ECEDLO CC(=O)NCC[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000515349967 438862730 /nfs/dbraw/zinc/86/27/30/438862730.db2.gz JFLIZRLIHUZSSV-UHFFFAOYSA-N 1 2 340.387 0.750 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000515865147 438882815 /nfs/dbraw/zinc/88/28/15/438882815.db2.gz YHAIQJJCRNQLBX-OAHLLOKOSA-N 1 2 345.447 0.612 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nc3ncccc3cc2C#N)CC1 ZINC000596062618 438921189 /nfs/dbraw/zinc/92/11/89/438921189.db2.gz KHCWKAVOMQLXGZ-UHFFFAOYSA-N 1 2 336.399 0.926 20 30 ECEDLO N#Cc1ccncc1N1CCN(C(=O)C2([NH+]3CCOCC3)CC2)CC1 ZINC000601594528 438940113 /nfs/dbraw/zinc/94/01/13/438940113.db2.gz KPEYXVNGNGWFPH-UHFFFAOYSA-N 1 2 341.415 0.467 20 30 ECEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2nc(C3CC3)no2)c1=O ZINC000596285274 438950743 /nfs/dbraw/zinc/95/07/43/438950743.db2.gz LVHRSSJSDBBQTP-UHFFFAOYSA-N 1 2 341.371 0.861 20 30 ECEDLO N#Cc1cncnc1NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000596516121 438972241 /nfs/dbraw/zinc/97/22/41/438972241.db2.gz QZTZSMSVLZUDLV-SFHVURJKSA-N 1 2 339.399 0.446 20 30 ECEDLO N#Cc1cncnc1NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000596516121 438972242 /nfs/dbraw/zinc/97/22/42/438972242.db2.gz QZTZSMSVLZUDLV-SFHVURJKSA-N 1 2 339.399 0.446 20 30 ECEDLO N#Cc1nccc(NC[C@@]2(CO)COCC[N@@H+]2Cc2ccccc2)n1 ZINC000596516163 438972784 /nfs/dbraw/zinc/97/27/84/438972784.db2.gz RXOBMGKJTROLDS-GOSISDBHSA-N 1 2 339.399 0.446 20 30 ECEDLO N#Cc1nccc(NC[C@@]2(CO)COCC[N@H+]2Cc2ccccc2)n1 ZINC000596516163 438972787 /nfs/dbraw/zinc/97/27/87/438972787.db2.gz RXOBMGKJTROLDS-GOSISDBHSA-N 1 2 339.399 0.446 20 30 ECEDLO CN1C(=O)N(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)C(=O)C12CCCCC2 ZINC000566306616 439039550 /nfs/dbraw/zinc/03/95/50/439039550.db2.gz ULTWBBFFGWTEAB-INIZCTEOSA-N 1 2 349.435 0.543 20 30 ECEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccccc2SCC(N)=O)C1 ZINC000592148470 439167068 /nfs/dbraw/zinc/16/70/68/439167068.db2.gz VMYNVJRJFOMONX-INIZCTEOSA-N 1 2 348.428 0.553 20 30 ECEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)Nc2ccccc2SCC(N)=O)C1 ZINC000592148470 439167073 /nfs/dbraw/zinc/16/70/73/439167073.db2.gz VMYNVJRJFOMONX-INIZCTEOSA-N 1 2 348.428 0.553 20 30 ECEDLO CN1C(=O)c2ccc(NC(=O)C[N@@H+]3CC[C@@](O)(CC#N)C3)cc2C1=O ZINC000592148806 439168249 /nfs/dbraw/zinc/16/82/49/439168249.db2.gz CELDMSDVHPBQHA-KRWDZBQOSA-N 1 2 342.355 0.201 20 30 ECEDLO CN1C(=O)c2ccc(NC(=O)C[N@H+]3CC[C@@](O)(CC#N)C3)cc2C1=O ZINC000592148806 439168256 /nfs/dbraw/zinc/16/82/56/439168256.db2.gz CELDMSDVHPBQHA-KRWDZBQOSA-N 1 2 342.355 0.201 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000523436686 439170015 /nfs/dbraw/zinc/17/00/15/439170015.db2.gz GQJIOHFPMJFNPF-CYBMUJFWSA-N 1 2 333.388 0.783 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000523436686 439170022 /nfs/dbraw/zinc/17/00/22/439170022.db2.gz GQJIOHFPMJFNPF-CYBMUJFWSA-N 1 2 333.388 0.783 20 30 ECEDLO C[C@@H]1C[NH+](CC(=O)NC(=O)NCC(F)(F)F)C[C@@H](C)N1CC#N ZINC000602855624 439144444 /nfs/dbraw/zinc/14/44/44/439144444.db2.gz HWNZJGBDXMEAJB-NXEZZACHSA-N 1 2 335.330 0.293 20 30 ECEDLO Cc1cc(=O)n2nc(C[NH+]3C[C@H](C)N(CC#N)[C@@H](C)C3)sc2n1 ZINC000602857588 439145283 /nfs/dbraw/zinc/14/52/83/439145283.db2.gz TURBXRITSOSITF-RYUDHWBXSA-N 1 2 332.433 0.878 20 30 ECEDLO N#CC1(CC(=O)NCC[NH+]2CCN(C(=O)CC3(C#N)CC3)CC2)CC1 ZINC000597658902 439151634 /nfs/dbraw/zinc/15/16/34/439151634.db2.gz OLTXYBUCQYUUSF-UHFFFAOYSA-N 1 2 343.431 0.635 20 30 ECEDLO COC(=O)[C@]1(C)C[C@@H](OC)C[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000602938217 439165548 /nfs/dbraw/zinc/16/55/48/439165548.db2.gz WWTIFYWLMPAANU-RKVPGOIHSA-N 1 2 348.399 0.950 20 30 ECEDLO COC(=O)[C@]1(C)C[C@@H](OC)C[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000602938217 439165552 /nfs/dbraw/zinc/16/55/52/439165552.db2.gz WWTIFYWLMPAANU-RKVPGOIHSA-N 1 2 348.399 0.950 20 30 ECEDLO C[N@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)[C@@H]1CCC[C@H]1C#N ZINC000602982064 439174833 /nfs/dbraw/zinc/17/48/33/439174833.db2.gz MWVSCSUXQMIKAD-GXTWGEPZSA-N 1 2 342.465 0.151 20 30 ECEDLO C[N@@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)[C@@H]1CCC[C@H]1C#N ZINC000602982064 439174839 /nfs/dbraw/zinc/17/48/39/439174839.db2.gz MWVSCSUXQMIKAD-GXTWGEPZSA-N 1 2 342.465 0.151 20 30 ECEDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000592197049 439177313 /nfs/dbraw/zinc/17/73/13/439177313.db2.gz LMECKVYGDAHYJD-UONOGXRCSA-N 1 2 342.355 0.964 20 30 ECEDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000592197049 439177314 /nfs/dbraw/zinc/17/73/14/439177314.db2.gz LMECKVYGDAHYJD-UONOGXRCSA-N 1 2 342.355 0.964 20 30 ECEDLO CCOC(=O)[C@]1(C)C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000603001847 439179869 /nfs/dbraw/zinc/17/98/69/439179869.db2.gz UPBWMXLWLIDJQU-QAPCUYQASA-N 1 2 348.399 0.952 20 30 ECEDLO CCOC(=O)[C@]1(C)C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000603001847 439179871 /nfs/dbraw/zinc/17/98/71/439179871.db2.gz UPBWMXLWLIDJQU-QAPCUYQASA-N 1 2 348.399 0.952 20 30 ECEDLO CCOC(=O)[C@@]1(C)C[N@H+](C[C@H](O)COc2ccccc2C#N)CCO1 ZINC000603005893 439182731 /nfs/dbraw/zinc/18/27/31/439182731.db2.gz SPEILDZJGLFQPO-MAUKXSAKSA-N 1 2 348.399 0.952 20 30 ECEDLO CCOC(=O)[C@@]1(C)C[N@@H+](C[C@H](O)COc2ccccc2C#N)CCO1 ZINC000603005893 439182739 /nfs/dbraw/zinc/18/27/39/439182739.db2.gz SPEILDZJGLFQPO-MAUKXSAKSA-N 1 2 348.399 0.952 20 30 ECEDLO CC(C)CN1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CCN2C1=O ZINC000488733817 439200581 /nfs/dbraw/zinc/20/05/81/439200581.db2.gz MNLHVGKDOLUALX-GJZGRUSLSA-N 1 2 335.452 0.825 20 30 ECEDLO CC(C)CN1C[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CCN2C1=O ZINC000488733817 439200584 /nfs/dbraw/zinc/20/05/84/439200584.db2.gz MNLHVGKDOLUALX-GJZGRUSLSA-N 1 2 335.452 0.825 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCC1)n1cc(C[NH+]2CCSCC2)nn1 ZINC000603238903 439216565 /nfs/dbraw/zinc/21/65/65/439216565.db2.gz AJFMKNDNIHHDMB-LBPRGKRZSA-N 1 2 334.449 0.950 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCc2ncncc2C1 ZINC000592758435 439273809 /nfs/dbraw/zinc/27/38/09/439273809.db2.gz ZKCIQTMJHRBBSB-OAHLLOKOSA-N 1 2 343.431 0.656 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)N(CCC)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000490604271 439277180 /nfs/dbraw/zinc/27/71/80/439277180.db2.gz JEWGLCGXRQEIPQ-OAHLLOKOSA-N 1 2 326.462 0.757 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H](C)n2cccc2)CC1 ZINC000490649254 439283303 /nfs/dbraw/zinc/28/33/03/439283303.db2.gz GKLVATVLHMBUAO-INIZCTEOSA-N 1 2 330.432 0.723 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](C)n2cccc2)CC1 ZINC000490649254 439283308 /nfs/dbraw/zinc/28/33/08/439283308.db2.gz GKLVATVLHMBUAO-INIZCTEOSA-N 1 2 330.432 0.723 20 30 ECEDLO Cn1c2ccccc2n(CCC(=O)N[C@](C)(C#N)C[NH+](C)C)c1=O ZINC000581761456 439250794 /nfs/dbraw/zinc/25/07/94/439250794.db2.gz YOXVGEDEDPPULT-QGZVFWFLSA-N 1 2 329.404 0.690 20 30 ECEDLO N#CC1(NC(=O)CN2CC[NH+](CC(=O)N3CCCCC3)CC2)CCC1 ZINC000527128280 439254633 /nfs/dbraw/zinc/25/46/33/439254633.db2.gz MIFRJRDWEDFICN-UHFFFAOYSA-N 1 2 347.463 0.179 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](F)Cc2ccccc2)CC1 ZINC000490921940 439312309 /nfs/dbraw/zinc/31/23/09/439312309.db2.gz AZNOPQUGFPRMAJ-KRWDZBQOSA-N 1 2 345.418 0.851 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](F)Cc2ccccc2)CC1 ZINC000490921940 439312316 /nfs/dbraw/zinc/31/23/16/439312316.db2.gz AZNOPQUGFPRMAJ-KRWDZBQOSA-N 1 2 345.418 0.851 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2ccnc2[C@@H](O)c2ccccc2)CC1 ZINC000491039433 439324307 /nfs/dbraw/zinc/32/43/07/439324307.db2.gz OVJUSFLZKPICDA-SFHVURJKSA-N 1 2 338.411 0.742 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(C(=O)NCC)ccc2C)CC1 ZINC000490761897 439295872 /nfs/dbraw/zinc/29/58/72/439295872.db2.gz XUYCBWIPLBMFFY-UHFFFAOYSA-N 1 2 342.443 0.934 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(C(=O)N(C)C)ccc2C)CC1 ZINC000490759753 439296088 /nfs/dbraw/zinc/29/60/88/439296088.db2.gz GCNHVHIKEFMWDI-UHFFFAOYSA-N 1 2 342.443 0.886 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC000490780412 439298085 /nfs/dbraw/zinc/29/80/85/439298085.db2.gz KYXHWLZOGFPOBI-CQSZACIVSA-N 1 2 347.381 0.807 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC000490780412 439298089 /nfs/dbraw/zinc/29/80/89/439298089.db2.gz KYXHWLZOGFPOBI-CQSZACIVSA-N 1 2 347.381 0.807 20 30 ECEDLO C#CCN1CCN(C(=O)CO[NH+]=C(N)Cc2ccc(OC)cc2)CC1 ZINC000490780235 439298247 /nfs/dbraw/zinc/29/82/47/439298247.db2.gz HFVHLHVNEWQLDD-UHFFFAOYSA-N 1 2 344.415 0.514 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cc(NC(=O)C(C)(C)C)cn2)CC1 ZINC000490779152 439298286 /nfs/dbraw/zinc/29/82/86/439298286.db2.gz RKWQGHXHIOLNDE-UHFFFAOYSA-N 1 2 331.420 0.645 20 30 ECEDLO C#CC[N@@H+](C[C@H](O)COCc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000490852664 439302513 /nfs/dbraw/zinc/30/25/13/439302513.db2.gz MJPDOAQZKQUYNY-KGLIPLIRSA-N 1 2 343.470 0.748 20 30 ECEDLO C#CC[N@H+](C[C@H](O)COCc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000490852664 439302519 /nfs/dbraw/zinc/30/25/19/439302519.db2.gz MJPDOAQZKQUYNY-KGLIPLIRSA-N 1 2 343.470 0.748 20 30 ECEDLO C#C[C@H]1COCCN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000491299069 439365720 /nfs/dbraw/zinc/36/57/20/439365720.db2.gz XZHPIJUWOHZIAT-SFHVURJKSA-N 1 2 343.427 0.791 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000491210383 439349627 /nfs/dbraw/zinc/34/96/27/439349627.db2.gz SYPDWCXSHRQJJB-BRWVUGGUSA-N 1 2 348.491 0.246 20 30 ECEDLO N#Cc1ccc([C@H](O)C[NH+]2CCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000528608643 439350707 /nfs/dbraw/zinc/35/07/07/439350707.db2.gz HHOQPEHFIXKHOG-MRXNPFEDSA-N 1 2 335.429 0.701 20 30 ECEDLO C#CCNS(=O)(=O)c1ccc(C(=O)NCc2c[nH+]cn2C)cc1 ZINC000491407082 439378460 /nfs/dbraw/zinc/37/84/60/439378460.db2.gz QCHMNZMCMGOYAV-UHFFFAOYSA-N 1 2 332.385 0.262 20 30 ECEDLO C#CCN1CCN(C(=O)C[NH+]2CCN(c3cccc(F)n3)CC2)CC1 ZINC000491537455 439402023 /nfs/dbraw/zinc/40/20/23/439402023.db2.gz QULFKLIVLCIDCN-UHFFFAOYSA-N 1 2 345.422 0.120 20 30 ECEDLO Cc1cc(NC(=O)C[N@H+](C)C[C@H](O)COc2ccccc2C#N)no1 ZINC000599261423 439403927 /nfs/dbraw/zinc/40/39/27/439403927.db2.gz RAHMPJZVMMQALQ-AWEZNQCLSA-N 1 2 344.371 1.165 20 30 ECEDLO Cc1cc(NC(=O)C[N@@H+](C)C[C@H](O)COc2ccccc2C#N)no1 ZINC000599261423 439403934 /nfs/dbraw/zinc/40/39/34/439403934.db2.gz RAHMPJZVMMQALQ-AWEZNQCLSA-N 1 2 344.371 1.165 20 30 ECEDLO C#C[C@H]1COCCN1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000491678854 439426737 /nfs/dbraw/zinc/42/67/37/439426737.db2.gz VLVAVFCXDWXRRY-HNNXBMFYSA-N 1 2 333.457 0.726 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccc(CC#N)cc1 ZINC000570679330 439442077 /nfs/dbraw/zinc/44/20/77/439442077.db2.gz KMKYYXLNANJMOG-KRWDZBQOSA-N 1 2 346.431 0.587 20 30 ECEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCC2(C#N)CC2)cn1 ZINC000583299758 439444850 /nfs/dbraw/zinc/44/48/50/439444850.db2.gz MSHSNRZLWAELKA-KBPBESRZSA-N 1 2 334.399 0.935 20 30 ECEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCC2(C#N)CC2)cn1 ZINC000583299758 439444856 /nfs/dbraw/zinc/44/48/56/439444856.db2.gz MSHSNRZLWAELKA-KBPBESRZSA-N 1 2 334.399 0.935 20 30 ECEDLO C=C(C)CS(=O)(=O)NC1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000570293689 439409378 /nfs/dbraw/zinc/40/93/78/439409378.db2.gz WINQGYHRFRXKGX-UHFFFAOYSA-N 1 2 331.482 0.815 20 30 ECEDLO COC(=O)C[C@H]1COCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599418658 439463991 /nfs/dbraw/zinc/46/39/91/439463991.db2.gz JBIDPFNOIMYRTC-UONOGXRCSA-N 1 2 326.393 0.322 20 30 ECEDLO COC(=O)C[C@H]1COCC[N@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599418658 439463997 /nfs/dbraw/zinc/46/39/97/439463997.db2.gz JBIDPFNOIMYRTC-UONOGXRCSA-N 1 2 326.393 0.322 20 30 ECEDLO COC(=O)C[C@H]1COCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599418656 439464011 /nfs/dbraw/zinc/46/40/11/439464011.db2.gz JBIDPFNOIMYRTC-KBPBESRZSA-N 1 2 326.393 0.322 20 30 ECEDLO COC(=O)C[C@H]1COCC[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599418656 439464015 /nfs/dbraw/zinc/46/40/15/439464015.db2.gz JBIDPFNOIMYRTC-KBPBESRZSA-N 1 2 326.393 0.322 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[NH+]2CCC(N3CCOCC3)CC2)cc1 ZINC000599474484 439483414 /nfs/dbraw/zinc/48/34/14/439483414.db2.gz SVIPAKQDZBQORP-UHFFFAOYSA-N 1 2 342.443 0.971 20 30 ECEDLO CC(C)(C)OC(=O)Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000571242441 439486741 /nfs/dbraw/zinc/48/67/41/439486741.db2.gz IKGCLENGWKQLOP-UHFFFAOYSA-N 1 2 333.388 0.894 20 30 ECEDLO Cc1cc(C(=O)NC2(C#N)CC[NH+](C)CC2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000531292946 439508358 /nfs/dbraw/zinc/50/83/58/439508358.db2.gz BIFKULUSXYHQCL-UHFFFAOYSA-N 1 2 342.359 0.462 20 30 ECEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@H](CC(N)=O)C2)cc1 ZINC000599666044 439530880 /nfs/dbraw/zinc/53/08/80/439530880.db2.gz WEBHOEOMLCIDFA-GDBMZVCRSA-N 1 2 333.388 0.069 20 30 ECEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@H](CC(N)=O)C2)cc1 ZINC000599666044 439530885 /nfs/dbraw/zinc/53/08/85/439530885.db2.gz WEBHOEOMLCIDFA-GDBMZVCRSA-N 1 2 333.388 0.069 20 30 ECEDLO C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)N1C(=O)NC2(CCCC2)C1=O ZINC000571885531 439538501 /nfs/dbraw/zinc/53/85/01/439538501.db2.gz QVWFJFWNZLZKAQ-ABAIWWIYSA-N 1 2 335.408 0.200 20 30 ECEDLO N#C[C@@H]1CN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)CCO1 ZINC000609282050 439561834 /nfs/dbraw/zinc/56/18/34/439561834.db2.gz RTSZCDYAQLDRPU-CQSZACIVSA-N 1 2 331.376 0.352 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)nc1 ZINC000531880250 439513663 /nfs/dbraw/zinc/51/36/63/439513663.db2.gz ZNADOVPZYLZWSA-OAHLLOKOSA-N 1 2 330.388 0.517 20 30 ECEDLO CN(C)C(=O)C[NH+]1CCN(c2cccc(-n3cccn3)c2C#N)CC1 ZINC000594539391 439574408 /nfs/dbraw/zinc/57/44/08/439574408.db2.gz HQORFKHBLHVUIV-UHFFFAOYSA-N 1 2 338.415 0.954 20 30 ECEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000572367483 439576200 /nfs/dbraw/zinc/57/62/00/439576200.db2.gz IYACPBWXYKJNRH-CQDKDKBSSA-N 1 2 328.372 0.475 20 30 ECEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000572367483 439576204 /nfs/dbraw/zinc/57/62/04/439576204.db2.gz IYACPBWXYKJNRH-CQDKDKBSSA-N 1 2 328.372 0.475 20 30 ECEDLO CN1CC[NH+](CCn2cc(COc3cccc(C#N)c3)nn2)CC1 ZINC000594643862 439584793 /nfs/dbraw/zinc/58/47/93/439584793.db2.gz LYAUVFWXACJGND-UHFFFAOYSA-N 1 2 326.404 0.976 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000609710756 439585548 /nfs/dbraw/zinc/58/55/48/439585548.db2.gz UPBVQEGGFCEESE-FMKPAKJESA-N 1 2 334.372 0.101 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000609710756 439585550 /nfs/dbraw/zinc/58/55/50/439585550.db2.gz UPBVQEGGFCEESE-FMKPAKJESA-N 1 2 334.372 0.101 20 30 ECEDLO CCN1C(=O)CO[C@H](C(=O)N(C)CC(C)(C)C#N)[C@H]1c1[nH+]ccn1C ZINC000599968657 439588151 /nfs/dbraw/zinc/58/81/51/439588151.db2.gz NBAVGZSGLDQMDY-KBPBESRZSA-N 1 2 347.419 0.717 20 30 ECEDLO N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000610665663 439636938 /nfs/dbraw/zinc/63/69/38/439636938.db2.gz ZQXFWNBVTFEQLT-QGZVFWFLSA-N 1 2 328.416 0.664 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000585719180 439644848 /nfs/dbraw/zinc/64/48/48/439644848.db2.gz VPWVVKYNKZBHCD-KGLIPLIRSA-N 1 2 344.415 0.572 20 30 ECEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000600420920 439654431 /nfs/dbraw/zinc/65/44/31/439654431.db2.gz LZACPMBTJHXGCL-MLGOLLRUSA-N 1 2 325.409 0.695 20 30 ECEDLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000600420920 439654436 /nfs/dbraw/zinc/65/44/36/439654436.db2.gz LZACPMBTJHXGCL-MLGOLLRUSA-N 1 2 325.409 0.695 20 30 ECEDLO Cc1nc(NC(=O)C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)ccc1C#N ZINC000595125710 439657766 /nfs/dbraw/zinc/65/77/66/439657766.db2.gz KQWYQFHNQHQFSZ-NEPJUHHUSA-N 1 2 345.403 0.426 20 30 ECEDLO Cc1nc(NC(=O)C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)ccc1C#N ZINC000595125710 439657769 /nfs/dbraw/zinc/65/77/69/439657769.db2.gz KQWYQFHNQHQFSZ-NEPJUHHUSA-N 1 2 345.403 0.426 20 30 ECEDLO C[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)[C@@H](C)CO1 ZINC000595127133 439657965 /nfs/dbraw/zinc/65/79/65/439657965.db2.gz ZRXQRLYLHQBXTO-RYUDHWBXSA-N 1 2 348.378 0.861 20 30 ECEDLO C[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)[C@@H](C)CO1 ZINC000595127133 439657969 /nfs/dbraw/zinc/65/79/69/439657969.db2.gz ZRXQRLYLHQBXTO-RYUDHWBXSA-N 1 2 348.378 0.861 20 30 ECEDLO Cc1cccc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1C#N ZINC000595152880 439662978 /nfs/dbraw/zinc/66/29/78/439662978.db2.gz LCIFJGQNANLDJY-AWEZNQCLSA-N 1 2 342.399 0.738 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000610573818 439627179 /nfs/dbraw/zinc/62/71/79/439627179.db2.gz SKCIVBKUNJBWSG-UHFFFAOYSA-N 1 2 347.394 0.788 20 30 ECEDLO Cc1cccc(S(=O)(=O)N2CC[N@H+](CCO)C(C)(C)C2)c1C#N ZINC000614854203 439788994 /nfs/dbraw/zinc/78/89/94/439788994.db2.gz ZVZTUPYJSXNYSV-UHFFFAOYSA-N 1 2 337.445 0.944 20 30 ECEDLO Cc1cccc(S(=O)(=O)N2CC[N@@H+](CCO)C(C)(C)C2)c1C#N ZINC000614854203 439788995 /nfs/dbraw/zinc/78/89/95/439788995.db2.gz ZVZTUPYJSXNYSV-UHFFFAOYSA-N 1 2 337.445 0.944 20 30 ECEDLO N#C[C@@]1(F)CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000615538441 439801874 /nfs/dbraw/zinc/80/18/74/439801874.db2.gz IDXIENCNAJHPQQ-HNNXBMFYSA-N 1 2 336.371 0.685 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000652997416 440032121 /nfs/dbraw/zinc/03/21/21/440032121.db2.gz ZJYPIXCWEGQGTB-CVEARBPZSA-N 1 2 326.437 0.775 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2cnc(N3CCCC3=O)cn2)CC1 ZINC000663360453 440059543 /nfs/dbraw/zinc/05/95/43/440059543.db2.gz OFVSUWQCOVNXDF-UHFFFAOYSA-N 1 2 344.419 0.028 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc([C@H]3CCO[C@H]3C)n2C)CC1 ZINC000647356044 440043047 /nfs/dbraw/zinc/04/30/47/440043047.db2.gz HKZQINAXUPJSSR-KBPBESRZSA-N 1 2 348.451 0.132 20 30 ECEDLO C=CCN(CCc1ccco1)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632189005 440112496 /nfs/dbraw/zinc/11/24/96/440112496.db2.gz YAUCEYXMZUQBKF-HNNXBMFYSA-N 1 2 328.434 0.971 20 30 ECEDLO C=CCN(CCc1ccco1)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632189005 440112500 /nfs/dbraw/zinc/11/25/00/440112500.db2.gz YAUCEYXMZUQBKF-HNNXBMFYSA-N 1 2 328.434 0.971 20 30 ECEDLO C=CCCN(C)C(=O)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000632587617 440300475 /nfs/dbraw/zinc/30/04/75/440300475.db2.gz FDXHWXMTHCEZAT-UHFFFAOYSA-N 1 2 331.420 0.198 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[NH+](CCc3cnccn3)CC2)nn1 ZINC000634508645 440664871 /nfs/dbraw/zinc/66/48/71/440664871.db2.gz HFICJVYVNUFWCM-UHFFFAOYSA-N 1 2 327.392 0.255 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(S(N)(=O)=O)cc2F)C1=O ZINC000639132069 440679079 /nfs/dbraw/zinc/67/90/79/440679079.db2.gz DIYUNNLLAQRTCT-AWEZNQCLSA-N 1 2 341.408 0.692 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(S(N)(=O)=O)cc2F)C1=O ZINC000639132069 440679082 /nfs/dbraw/zinc/67/90/82/440679082.db2.gz DIYUNNLLAQRTCT-AWEZNQCLSA-N 1 2 341.408 0.692 20 30 ECEDLO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c(=O)[nH]c1=O ZINC000661156839 440804344 /nfs/dbraw/zinc/80/43/44/440804344.db2.gz YXRWLCFXKIABSR-GFCCVEGCSA-N 1 2 347.419 0.995 20 30 ECEDLO CC(C)Cn1c(N)c(C(=O)C[N@H+]2CCC[C@H](CC#N)C2)c(=O)[nH]c1=O ZINC000661156839 440804346 /nfs/dbraw/zinc/80/43/46/440804346.db2.gz YXRWLCFXKIABSR-GFCCVEGCSA-N 1 2 347.419 0.995 20 30 ECEDLO C=CCOCCCNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000661796532 440919806 /nfs/dbraw/zinc/91/98/06/440919806.db2.gz ZXSHQXMXQDFNHW-UHFFFAOYSA-N 1 2 338.452 0.529 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)NCCOc2cccc(F)c2)nn1 ZINC000640975503 441037019 /nfs/dbraw/zinc/03/70/19/441037019.db2.gz SILXSQPCOFMBTO-UHFFFAOYSA-N 1 2 345.378 0.725 20 30 ECEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)c1C#N ZINC000535208531 322078095 /nfs/dbraw/zinc/07/80/95/322078095.db2.gz YRQXWQNQLBRKNP-GFCCVEGCSA-N 1 2 337.401 0.468 20 30 ECEDLO COC(=O)c1cccc(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)c1C#N ZINC000535208531 322078097 /nfs/dbraw/zinc/07/80/97/322078097.db2.gz YRQXWQNQLBRKNP-GFCCVEGCSA-N 1 2 337.401 0.468 20 30 ECEDLO N#Cc1ccncc1N1CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC000577929377 322850248 /nfs/dbraw/zinc/85/02/48/322850248.db2.gz PZDXBHWVLSDDRS-UHFFFAOYSA-N 1 2 335.433 0.111 20 30 ECEDLO CC[N@H+](Cc1nnc(C)o1)[C@@H]1CN(C(=O)NCc2ccoc2)C[C@H]1O ZINC000328640294 521464572 /nfs/dbraw/zinc/46/45/72/521464572.db2.gz PZRZOTHXSYMKKB-ZIAGYGMSSA-N 1 2 349.391 0.952 20 30 ECEDLO CC[N@@H+](Cc1nnc(C)o1)[C@@H]1CN(C(=O)NCc2ccoc2)C[C@H]1O ZINC000328640294 521464583 /nfs/dbraw/zinc/46/45/83/521464583.db2.gz PZRZOTHXSYMKKB-ZIAGYGMSSA-N 1 2 349.391 0.952 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccn2C(C)C)CC1 ZINC000152704879 526999631 /nfs/dbraw/zinc/99/96/31/526999631.db2.gz QURSIGCMSBVSBO-UHFFFAOYSA-N 1 2 330.432 0.966 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccn2C(C)C)CC1 ZINC000152704879 526999637 /nfs/dbraw/zinc/99/96/37/526999637.db2.gz QURSIGCMSBVSBO-UHFFFAOYSA-N 1 2 330.432 0.966 20 30 ECEDLO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000328741349 546004898 /nfs/dbraw/zinc/00/48/98/546004898.db2.gz NMLJXBREZVRKHX-NWDGAFQWSA-N 1 2 326.422 0.826 20 30 ECEDLO C[C@H](CNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)[NH+]1CCOCC1 ZINC000329023841 546011803 /nfs/dbraw/zinc/01/18/03/546011803.db2.gz IWKYWKSYICDMLN-QKPAOTATSA-N 1 2 341.452 0.483 20 30 ECEDLO O=C(C[NH+]1CCC(N2CCCC2=O)CC1)NCC(=O)N1CCCC1 ZINC000329105077 546014199 /nfs/dbraw/zinc/01/41/99/546014199.db2.gz OGPGFTWSUOBVCP-UHFFFAOYSA-N 1 2 336.436 0.652 20 30 ECEDLO O=C(NC[C@H](O)C[NH+]1CCOCC1)Nc1nc2c(s1)COCC2 ZINC000329110600 546014214 /nfs/dbraw/zinc/01/42/14/546014214.db2.gz QKJFIGVUYRJUNC-JTQLQIEISA-N 1 2 342.421 0.235 20 30 ECEDLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000330235771 546041266 /nfs/dbraw/zinc/04/12/66/546041266.db2.gz HBJDTNRXPXONJC-NSHDSACASA-N 1 2 329.426 0.580 20 30 ECEDLO Cc1n[nH]c(C)c1NC(=O)C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000330235771 546041271 /nfs/dbraw/zinc/04/12/71/546041271.db2.gz HBJDTNRXPXONJC-NSHDSACASA-N 1 2 329.426 0.580 20 30 ECEDLO C[C@H](O)CN1CC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000619721684 546364400 /nfs/dbraw/zinc/36/44/00/546364400.db2.gz QTKSRSQYGBUYKC-XYJFISCASA-N 1 2 347.459 0.879 20 30 ECEDLO C[C@H](O)CN1CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000619721684 546364402 /nfs/dbraw/zinc/36/44/02/546364402.db2.gz QTKSRSQYGBUYKC-XYJFISCASA-N 1 2 347.459 0.879 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000668365738 547635560 /nfs/dbraw/zinc/63/55/60/547635560.db2.gz TYLLCZJMAMCWIP-HNNXBMFYSA-N 1 2 333.436 0.535 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(-c3cc[nH]n3)n2CC)CC1 ZINC000669137611 547838624 /nfs/dbraw/zinc/83/86/24/547838624.db2.gz AVXTTZXGKDSKCM-UHFFFAOYSA-N 1 2 344.423 0.112 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cnccc3C)C[C@H]2O)nc1 ZINC001078030008 782174874 /nfs/dbraw/zinc/17/48/74/782174874.db2.gz CLJWFQBFEUQEAG-QZTJIDSGSA-N 1 2 336.395 0.741 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cnccc3C)C[C@H]2O)nc1 ZINC001078030008 782174878 /nfs/dbraw/zinc/17/48/78/782174878.db2.gz CLJWFQBFEUQEAG-QZTJIDSGSA-N 1 2 336.395 0.741 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC000748823499 579329533 /nfs/dbraw/zinc/32/95/33/579329533.db2.gz AKNYCFVWDPJGQR-OLZOCXBDSA-N 1 2 333.354 0.415 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000755954218 579442309 /nfs/dbraw/zinc/44/23/09/579442309.db2.gz NQZGAMCXABHOIR-OYHNWAKOSA-N 1 2 327.494 0.572 20 30 ECEDLO N#CCn1c(C[NH+]2CCC(OCCO)CC2)nc2ccccc2c1=O ZINC000757130486 579459641 /nfs/dbraw/zinc/45/96/41/579459641.db2.gz LSNUHOJECJYUCE-UHFFFAOYSA-N 1 2 342.399 0.893 20 30 ECEDLO C#CCNC(=S)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000758211158 579468641 /nfs/dbraw/zinc/46/86/41/579468641.db2.gz YFODIZGGPJCCEV-UHFFFAOYSA-N 1 2 333.457 0.995 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1nc(Cl)cs1 ZINC000758089156 579467419 /nfs/dbraw/zinc/46/74/19/579467419.db2.gz AXEDZBHIMCRUFX-UHFFFAOYSA-N 1 2 333.870 0.927 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)c2c(C)noc2C)CC1 ZINC000729281582 578294878 /nfs/dbraw/zinc/29/48/78/578294878.db2.gz ILRNKXZVXCGQOX-CYBMUJFWSA-N 1 2 346.431 0.679 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)c2c(C)noc2C)CC1 ZINC000729281582 578294879 /nfs/dbraw/zinc/29/48/79/578294879.db2.gz ILRNKXZVXCGQOX-CYBMUJFWSA-N 1 2 346.431 0.679 20 30 ECEDLO C=CCNC(=O)CN1CCN(c2nc(N3CCCC3)cc[nH+]2)CC1 ZINC000730106486 578303408 /nfs/dbraw/zinc/30/34/08/578303408.db2.gz GTYWXLLOLUWSKP-UHFFFAOYSA-N 1 2 330.436 0.501 20 30 ECEDLO C#CCOc1ccc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000731124948 578310537 /nfs/dbraw/zinc/31/05/37/578310537.db2.gz SENQWTJOAHRORX-CQSZACIVSA-N 1 2 345.399 0.474 20 30 ECEDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1CC(=O)NCCC#N ZINC000731456969 578312651 /nfs/dbraw/zinc/31/26/51/578312651.db2.gz COFHDDIWWQNVAO-MRXNPFEDSA-N 1 2 340.387 0.146 20 30 ECEDLO CNC(=O)CNC(=S)NN=C(C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000731929117 578317846 /nfs/dbraw/zinc/31/78/46/578317846.db2.gz BSAGRFDBTWWPDK-UHFFFAOYSA-N 1 2 330.417 0.806 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CSCCCC)CC1 ZINC000733148666 578332609 /nfs/dbraw/zinc/33/26/09/578332609.db2.gz HNWHRVVZTMNBGW-UHFFFAOYSA-N 1 2 325.478 0.803 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CSCCCC)CC1 ZINC000733148666 578332611 /nfs/dbraw/zinc/33/26/11/578332611.db2.gz HNWHRVVZTMNBGW-UHFFFAOYSA-N 1 2 325.478 0.803 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C2CCN(C(=O)c3cccnc3)CC2)CC1 ZINC000733161342 578333159 /nfs/dbraw/zinc/33/31/59/578333159.db2.gz NHTDZSWQCAYFQJ-UHFFFAOYSA-N 1 2 340.427 0.711 20 30 ECEDLO COC(=O)c1occc1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000794748416 578599437 /nfs/dbraw/zinc/59/94/37/578599437.db2.gz PEESNCPRYXRFJW-UHFFFAOYSA-N 1 2 340.405 0.196 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)CN2C[C@@](C)(C(=O)OCC)CC2=O)C1=O ZINC000799144017 578659384 /nfs/dbraw/zinc/65/93/84/578659384.db2.gz WFNJLZAWHQRKFW-GUYCJALGSA-N 1 2 337.420 0.464 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)CN2C[C@@](C)(C(=O)OCC)CC2=O)C1=O ZINC000799144017 578659385 /nfs/dbraw/zinc/65/93/85/578659385.db2.gz WFNJLZAWHQRKFW-GUYCJALGSA-N 1 2 337.420 0.464 20 30 ECEDLO C#CCCCCCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000780525467 578695860 /nfs/dbraw/zinc/69/58/60/578695860.db2.gz ALXDVCLYEUFGMI-MRXNPFEDSA-N 1 2 335.448 0.619 20 30 ECEDLO C=C(Cl)CNC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000783002083 578737220 /nfs/dbraw/zinc/73/72/20/578737220.db2.gz BXUPXTTUCBLDJG-LLVKDONJSA-N 1 2 325.800 0.963 20 30 ECEDLO C[C@H](OC(=O)c1cccc(C#N)c1)C(=O)NCC[NH+]1CCOCC1 ZINC000788111133 578828092 /nfs/dbraw/zinc/82/80/92/578828092.db2.gz YXOHJJDNVUZPRK-ZDUSSCGKSA-N 1 2 331.372 0.552 20 30 ECEDLO C#CCCC[NH+]1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000766912279 579096610 /nfs/dbraw/zinc/09/66/10/579096610.db2.gz AYYWXWPPBHXUCI-UHFFFAOYSA-N 1 2 325.390 0.098 20 30 ECEDLO N#Cc1ccc(C(=O)NCC(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000767533885 579110660 /nfs/dbraw/zinc/11/06/60/579110660.db2.gz RUNAFBFQEVVDIO-IYBDPMFKSA-N 1 2 343.383 0.694 20 30 ECEDLO N#Cc1ccc(C(=O)NCC(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000767533885 579110662 /nfs/dbraw/zinc/11/06/62/579110662.db2.gz RUNAFBFQEVVDIO-IYBDPMFKSA-N 1 2 343.383 0.694 20 30 ECEDLO C[S@](=O)CC[NH+]1CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000769479281 579145546 /nfs/dbraw/zinc/14/55/46/579145546.db2.gz GSBOBBKJTCJJTR-QHCPKHFHSA-N 1 2 331.445 0.702 20 30 ECEDLO C#CCN(C(=O)Nc1ccc2[nH+]ccn2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000774045767 579238847 /nfs/dbraw/zinc/23/88/47/579238847.db2.gz XYUZPVFQZRSWGI-CYBMUJFWSA-N 1 2 332.385 0.989 20 30 ECEDLO CN(C)C(=O)C[NH+]1CCN(C(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000760250102 579507348 /nfs/dbraw/zinc/50/73/48/579507348.db2.gz PVRJENCJJOEZNV-UHFFFAOYSA-N 1 2 344.415 0.364 20 30 ECEDLO COC(=O)Cn1cc(C(C)N=Nc2ccc(-n3cc[nH+]c3)nn2)nn1 ZINC000761861053 579532429 /nfs/dbraw/zinc/53/24/29/579532429.db2.gz UGHYZSIHTQUIAG-UHFFFAOYSA-N 1 2 341.335 0.263 20 30 ECEDLO N#CCCNS(=O)(=O)c1ccc(C(=O)OCCn2cc[nH+]c2)cc1 ZINC000763112364 579555763 /nfs/dbraw/zinc/55/57/63/579555763.db2.gz JKKZNSDNQJEIOJ-UHFFFAOYSA-N 1 2 348.384 0.932 20 30 ECEDLO Nc1[nH+]cccc1CN=Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000764650778 579579166 /nfs/dbraw/zinc/57/91/66/579579166.db2.gz ZBTYRTZSRGGZFR-UHFFFAOYSA-N 1 2 336.333 0.665 20 30 ECEDLO C[S@@](=O)CC[NH+]1CCN(C(=O)COc2cccc(C#N)c2)CC1 ZINC000741297151 579771303 /nfs/dbraw/zinc/77/13/03/579771303.db2.gz KXZFDLXHZRKPNA-HSZRJFAPSA-N 1 2 335.429 0.460 20 30 ECEDLO COc1ccc(C=NNC(=S)NCC[NH+]2CCOCC2)cc1C#N ZINC000741760104 579777137 /nfs/dbraw/zinc/77/71/37/579777137.db2.gz IMMWFOJONPVSNG-UHFFFAOYSA-N 1 2 347.444 0.697 20 30 ECEDLO C[C@H](CC(=O)NCc1[nH]cc[nH+]1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742661776 579790482 /nfs/dbraw/zinc/79/04/82/579790482.db2.gz DZIMJUNMOIQDQZ-SNVBAGLBSA-N 1 2 347.400 0.543 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2ccccc2OCC(=O)N(C)C)CC1 ZINC000744425315 579809396 /nfs/dbraw/zinc/80/93/96/579809396.db2.gz GLKXSLCNVXNROH-UHFFFAOYSA-N 1 2 329.400 0.545 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2c3ccccc3O[C@H](C)C2=O)CC1 ZINC000744422478 579809408 /nfs/dbraw/zinc/80/94/08/579809408.db2.gz WVKRFQSGCBIQMD-CQSZACIVSA-N 1 2 327.384 0.578 20 30 ECEDLO O=C(CCNC(=O)C1N=CC=CC1=O)NCCCNc1cccc[nH+]1 ZINC000746279572 579835098 /nfs/dbraw/zinc/83/50/98/579835098.db2.gz CJOVJNFNUPGWJH-WUKNDPDISA-N 1 2 343.387 0.916 20 30 ECEDLO N#CCn1cc(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000746363428 579836975 /nfs/dbraw/zinc/83/69/75/579836975.db2.gz YDRJDFIFMPNZBX-UHFFFAOYSA-N 1 2 339.359 0.089 20 30 ECEDLO Cn1c[nH+]cc1CCOC(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000837321273 588949130 /nfs/dbraw/zinc/94/91/30/588949130.db2.gz DQAMTSJHSHBBLY-UHFFFAOYSA-N 1 2 348.384 0.356 20 30 ECEDLO C#CC[C@@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)C(=O)OC ZINC000837939271 588966263 /nfs/dbraw/zinc/96/62/63/588966263.db2.gz BEUBBRLNJOJGCK-MRXNPFEDSA-N 1 2 330.384 0.814 20 30 ECEDLO COC(=O)COc1ccccc1C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000895072845 586160245 /nfs/dbraw/zinc/16/02/45/586160245.db2.gz BBFOSXCFLBBISQ-UHFFFAOYSA-N 1 2 331.372 0.796 20 30 ECEDLO C#CC1(O)CN(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccc(C)cc2)C1 ZINC000891638755 586183845 /nfs/dbraw/zinc/18/38/45/586183845.db2.gz OSEBNJSBQXGXTE-KRWDZBQOSA-N 1 2 343.427 0.758 20 30 ECEDLO N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC([NH+]3CCCC3)C2)cc1 ZINC000898613440 586437419 /nfs/dbraw/zinc/43/74/19/586437419.db2.gz IMWPSUIHLCRDGC-UHFFFAOYSA-N 1 2 347.440 0.780 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=C1CC[C@H]2COCC[C@@H]2C1 ZINC000901130779 586696722 /nfs/dbraw/zinc/69/67/22/586696722.db2.gz VVPWFBVRZCZESD-KGLIPLIRSA-N 1 2 340.493 0.975 20 30 ECEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)C1 ZINC000805469999 586910747 /nfs/dbraw/zinc/91/07/47/586910747.db2.gz UAWAUQYUTSVRDY-DGCLKSJQSA-N 1 2 337.401 0.892 20 30 ECEDLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)C1 ZINC000805469999 586910748 /nfs/dbraw/zinc/91/07/48/586910748.db2.gz UAWAUQYUTSVRDY-DGCLKSJQSA-N 1 2 337.401 0.892 20 30 ECEDLO CC(=O)CCn1cc(CN(CCC#N)CC[NH+]2CCOCC2)nn1 ZINC000906271432 586937365 /nfs/dbraw/zinc/93/73/65/586937365.db2.gz QFKPXJRVFQACQE-UHFFFAOYSA-N 1 2 334.424 0.305 20 30 ECEDLO Cc1cc(C#N)ccc1C(=O)O[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000805968071 586949009 /nfs/dbraw/zinc/94/90/09/586949009.db2.gz KDWGIDWNKQJCRU-CQSZACIVSA-N 1 2 345.399 0.860 20 30 ECEDLO Cc1ccc(C(=O)O[C@@H](C)C(=O)NCC[NH+]2CCOCC2)cc1C#N ZINC000805967842 586949124 /nfs/dbraw/zinc/94/91/24/586949124.db2.gz AYXAFSQUCMUQRH-AWEZNQCLSA-N 1 2 345.399 0.860 20 30 ECEDLO C[C@@H](OC(=O)c1sccc1C#N)C(=O)NCC[NH+]1CCOCC1 ZINC000805973457 586949615 /nfs/dbraw/zinc/94/96/15/586949615.db2.gz MNPBEMCMTURWOS-LLVKDONJSA-N 1 2 337.401 0.613 20 30 ECEDLO Cc1cc(C#N)cc(C)c1CC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000907071288 587012223 /nfs/dbraw/zinc/01/22/23/587012223.db2.gz LSKQFXRWGJZFOL-UHFFFAOYSA-N 1 2 345.443 0.871 20 30 ECEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1CC2(CCOCC2)[C@@H](O)C1=O ZINC000839959959 587015473 /nfs/dbraw/zinc/01/54/73/587015473.db2.gz NIDSYZVAAVGQLM-INIZCTEOSA-N 1 2 329.400 0.947 20 30 ECEDLO C[N@H+](Cc1cccc(C#N)c1)CN1CC2(CCOCC2)[C@@H](O)C1=O ZINC000839959959 587015475 /nfs/dbraw/zinc/01/54/75/587015475.db2.gz NIDSYZVAAVGQLM-INIZCTEOSA-N 1 2 329.400 0.947 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)CN2C(=O)[C@@]3(CCCO3)[C@H]2C2CC2)C1=O ZINC000840065255 587101520 /nfs/dbraw/zinc/10/15/20/587101520.db2.gz QVSADCQZLPLLEG-HDMKZQKVSA-N 1 2 333.432 0.833 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)CN2C(=O)[C@@]3(CCCO3)[C@H]2C2CC2)C1=O ZINC000840065255 587101522 /nfs/dbraw/zinc/10/15/22/587101522.db2.gz QVSADCQZLPLLEG-HDMKZQKVSA-N 1 2 333.432 0.833 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCCC12OCCO2 ZINC000806921373 587112088 /nfs/dbraw/zinc/11/20/88/587112088.db2.gz CDEYQWLBAQTGOM-HNNXBMFYSA-N 1 2 337.420 0.604 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)c1 ZINC000807067020 587117904 /nfs/dbraw/zinc/11/79/04/587117904.db2.gz SOEZXYASHNGOEP-KRWDZBQOSA-N 1 2 329.400 0.626 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000807247317 587122898 /nfs/dbraw/zinc/12/28/98/587122898.db2.gz UBSOERJOJATKLY-WCQYABFASA-N 1 2 333.392 0.838 20 30 ECEDLO C#Cc1ccc(C[N@H+](CC)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000809539109 587179464 /nfs/dbraw/zinc/17/94/64/587179464.db2.gz YSDKSHLYSXKCOD-INIZCTEOSA-N 1 2 334.441 0.793 20 30 ECEDLO C#Cc1ccc(C[N@@H+](CC)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000809539109 587179466 /nfs/dbraw/zinc/17/94/66/587179466.db2.gz YSDKSHLYSXKCOD-INIZCTEOSA-N 1 2 334.441 0.793 20 30 ECEDLO CON(C)C(=O)C1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000812870953 587243900 /nfs/dbraw/zinc/24/39/00/587243900.db2.gz DSAFUAPJRYNGME-OAHLLOKOSA-N 1 2 330.388 0.816 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)CC1 ZINC000814106621 587270298 /nfs/dbraw/zinc/27/02/98/587270298.db2.gz KWKBVMFOCGRPJQ-FICVDOATSA-N 1 2 333.432 0.877 20 30 ECEDLO C=C[C@H](O)C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000814540717 587276639 /nfs/dbraw/zinc/27/66/39/587276639.db2.gz CDJLFGUWQXZRGF-HNNXBMFYSA-N 1 2 334.372 0.547 20 30 ECEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)c1cccc(CO)c1 ZINC000814716238 587278845 /nfs/dbraw/zinc/27/88/45/587278845.db2.gz FBPGUNOSJYBTBF-UHFFFAOYSA-N 1 2 336.461 0.699 20 30 ECEDLO CC#CC[N@@H+](C)CC(=O)NN1C(=O)N[C@@](CC)(c2ccccc2)C1=O ZINC000815277584 587287092 /nfs/dbraw/zinc/28/70/92/587287092.db2.gz FQJJVICIQDSBQF-SFHVURJKSA-N 1 2 342.399 0.830 20 30 ECEDLO CC#CC[N@H+](C)CC(=O)NN1C(=O)N[C@@](CC)(c2ccccc2)C1=O ZINC000815277584 587287093 /nfs/dbraw/zinc/28/70/93/587287093.db2.gz FQJJVICIQDSBQF-SFHVURJKSA-N 1 2 342.399 0.830 20 30 ECEDLO N#Cc1ccsc1NC(=O)C(=O)Nc1nc(Cl)cc(NN)[nH+]1 ZINC000815617290 587294620 /nfs/dbraw/zinc/29/46/20/587294620.db2.gz KEKZNSQBIBEOIL-UHFFFAOYSA-N 1 2 337.752 0.926 20 30 ECEDLO CCCC[C@H](ON=C(C)C)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000816506424 587314723 /nfs/dbraw/zinc/31/47/23/587314723.db2.gz CEBFWDQDVVXMIZ-GJZGRUSLSA-N 1 2 329.441 0.767 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])CC1 ZINC000825618393 587953575 /nfs/dbraw/zinc/95/35/75/587953575.db2.gz BJTXHWDDBRPBGY-XHSDSOJGSA-N 1 2 333.432 0.482 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])CC1 ZINC000825618393 587953576 /nfs/dbraw/zinc/95/35/76/587953576.db2.gz BJTXHWDDBRPBGY-XHSDSOJGSA-N 1 2 333.432 0.482 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@]2(O)CCCC(C)(C)C2)CC1 ZINC000826550986 588069489 /nfs/dbraw/zinc/06/94/89/588069489.db2.gz YDDWNFDTYHLCHO-IBGZPJMESA-N 1 2 349.475 0.601 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@]2(O)CCCC(C)(C)C2)CC1 ZINC000826550986 588069490 /nfs/dbraw/zinc/06/94/90/588069490.db2.gz YDDWNFDTYHLCHO-IBGZPJMESA-N 1 2 349.475 0.601 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCc2cccnc2)CC1 ZINC000826556473 588069897 /nfs/dbraw/zinc/06/98/97/588069897.db2.gz ZREZJTPVEPPTLK-UHFFFAOYSA-N 1 2 342.443 0.688 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCCc2cccnc2)CC1 ZINC000826556473 588069898 /nfs/dbraw/zinc/06/98/98/588069898.db2.gz ZREZJTPVEPPTLK-UHFFFAOYSA-N 1 2 342.443 0.688 20 30 ECEDLO C[C@@H](NC(=O)C[N@H+](C)C[C@H](O)c1cccc(C#N)c1)C(=O)N(C)C ZINC000844370731 589109535 /nfs/dbraw/zinc/10/95/35/589109535.db2.gz SXPROCZSEZXUOI-DOMZBBRYSA-N 1 2 332.404 0.116 20 30 ECEDLO 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/nfs/dbraw/zinc/06/06/95/590060695.db2.gz UUPRPWMXQASEHJ-UONOGXRCSA-N 1 2 325.409 0.791 20 30 ECEDLO CC[C@H](C(=O)N(CC#N)CCC(=O)OC)[N@H+]1CCO[C@@H](CC)C1 ZINC000871344671 590060696 /nfs/dbraw/zinc/06/06/96/590060696.db2.gz UUPRPWMXQASEHJ-UONOGXRCSA-N 1 2 325.409 0.791 20 30 ECEDLO C[NH+](C)CCCNC(=O)C[C@@H]1S/C(=N/CCC2CC2)NC1=O ZINC000864345401 590075862 /nfs/dbraw/zinc/07/58/62/590075862.db2.gz VJAKCRLBCBDLPZ-LBPRGKRZSA-N 1 2 326.466 0.832 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc3c(c2C)OCC3=O)CC1 ZINC000871800347 590087008 /nfs/dbraw/zinc/08/70/08/590087008.db2.gz FXWFFBVPPRQXBS-UHFFFAOYSA-N 1 2 328.368 0.726 20 30 ECEDLO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)c(C#N)c1 ZINC000872498784 590121678 /nfs/dbraw/zinc/12/16/78/590121678.db2.gz YQAYOYGHRYBBLL-ZIAGYGMSSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)c(C#N)c1 ZINC000872498784 590121679 /nfs/dbraw/zinc/12/16/79/590121679.db2.gz YQAYOYGHRYBBLL-ZIAGYGMSSA-N 1 2 337.445 0.942 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](OCC)C2CCCC2)CC1 ZINC000865177589 590129442 /nfs/dbraw/zinc/12/94/42/590129442.db2.gz DDPRHQBDJLAWIG-SFHVURJKSA-N 1 2 349.475 0.865 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](OCC)C2CCCC2)CC1 ZINC000865177589 590129444 /nfs/dbraw/zinc/12/94/44/590129444.db2.gz DDPRHQBDJLAWIG-SFHVURJKSA-N 1 2 349.475 0.865 20 30 ECEDLO N#Cc1c2c(cn(C[NH+]3CCC4(CCNC4=O)CC3)c1=O)CCC2 ZINC000872789442 590148687 /nfs/dbraw/zinc/14/86/87/590148687.db2.gz SGEFULORXCUJNL-UHFFFAOYSA-N 1 2 326.400 0.768 20 30 ECEDLO Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000873751577 590200004 /nfs/dbraw/zinc/20/00/04/590200004.db2.gz TZFIHXQNWHVHJC-LBPRGKRZSA-N 1 2 348.378 0.469 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000875141979 590275064 /nfs/dbraw/zinc/27/50/64/590275064.db2.gz BFMDODDAVPUTOE-ZDUSSCGKSA-N 1 2 333.388 0.478 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000875598991 590312698 /nfs/dbraw/zinc/31/26/98/590312698.db2.gz MZWZJWLKNXUWKZ-BZUAXINKSA-N 1 2 346.431 0.837 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000875599102 590312783 /nfs/dbraw/zinc/31/27/83/590312783.db2.gz DNMIPXUMYZHZDR-CQSZACIVSA-N 1 2 332.404 0.591 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000875599719 590313003 /nfs/dbraw/zinc/31/30/03/590313003.db2.gz LTCWHNXSICVEFW-CABCVRRESA-N 1 2 332.404 0.591 20 30 ECEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879612024 590328523 /nfs/dbraw/zinc/32/85/23/590328523.db2.gz PLMWAUMVAHTKOD-MAZHCROVSA-N 1 2 335.379 0.888 20 30 ECEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879612024 590328525 /nfs/dbraw/zinc/32/85/25/590328525.db2.gz PLMWAUMVAHTKOD-MAZHCROVSA-N 1 2 335.379 0.888 20 30 ECEDLO CN1CCC[C@H]2[C@H]1CC[N@@H+]2CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000880143016 590371728 /nfs/dbraw/zinc/37/17/28/590371728.db2.gz XJXSKXHIXFAJDL-CABCVRRESA-N 1 2 334.445 0.895 20 30 ECEDLO CN1CCC[C@H]2[C@H]1CC[N@H+]2CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000880143016 590371730 /nfs/dbraw/zinc/37/17/30/590371730.db2.gz XJXSKXHIXFAJDL-CABCVRRESA-N 1 2 334.445 0.895 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCNC(=O)CC23CCC3)cc1 ZINC000880169824 590374616 /nfs/dbraw/zinc/37/46/16/590374616.db2.gz BZMYJTBJUHUWAT-UHFFFAOYSA-N 1 2 326.400 0.919 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCNC(=O)CC23CCC3)cc1 ZINC000880169824 590374617 /nfs/dbraw/zinc/37/46/17/590374617.db2.gz BZMYJTBJUHUWAT-UHFFFAOYSA-N 1 2 326.400 0.919 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H](CCSC)NC(=O)c2ccco2)CC1 ZINC000128300912 590378192 /nfs/dbraw/zinc/37/81/92/590378192.db2.gz HAVXPNNIVMVIPG-AWEZNQCLSA-N 1 2 349.456 0.909 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000876510903 590383976 /nfs/dbraw/zinc/38/39/76/590383976.db2.gz RJHFLKUSBDZRJZ-KRWDZBQOSA-N 1 2 348.451 0.505 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2cc(C#N)nc(C)n2)CC1 ZINC000881919673 590492454 /nfs/dbraw/zinc/49/24/54/590492454.db2.gz RTQUXIDHHJJJTH-CYBMUJFWSA-N 1 2 346.435 0.320 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H](CCOC)NC(=O)OC(C)(C)C)CC1 ZINC000878448519 590522062 /nfs/dbraw/zinc/52/20/62/590522062.db2.gz SBPWSQGXWVKHGZ-AWEZNQCLSA-N 1 2 339.436 0.694 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2oc3cc(OC)ccc3c2=O)CC1 ZINC000882166924 590523522 /nfs/dbraw/zinc/52/35/22/590523522.db2.gz YGXOEKOCMPSTSR-UHFFFAOYSA-N 1 2 329.356 0.381 20 30 ECEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CCN2CCOC2=O)c1=O ZINC000882172742 590524101 /nfs/dbraw/zinc/52/41/01/590524101.db2.gz ODNPIBCYWATERO-UHFFFAOYSA-N 1 2 332.360 0.004 20 30 ECEDLO C=C(Cl)C[C@H](NS(=O)(=O)CCn1cc[nH+]c1)C(=O)OCC ZINC000882471560 590552171 /nfs/dbraw/zinc/55/21/71/590552171.db2.gz WMVQPGMZTQFEOL-NSHDSACASA-N 1 2 335.813 0.877 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000879223491 590572247 /nfs/dbraw/zinc/57/22/47/590572247.db2.gz RWERBWGZGLZPNO-NWDGAFQWSA-N 1 2 340.424 0.986 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000879223491 590572249 /nfs/dbraw/zinc/57/22/49/590572249.db2.gz RWERBWGZGLZPNO-NWDGAFQWSA-N 1 2 340.424 0.986 20 30 ECEDLO COC[C@@]1(C(=O)OC(C)(C)C)C[N@H+](CCO[C@H](C)C#N)CCO1 ZINC000879359671 590582885 /nfs/dbraw/zinc/58/28/85/590582885.db2.gz VJZPXIKZULWRQY-CZUORRHYSA-N 1 2 328.409 0.974 20 30 ECEDLO COC[C@@]1(C(=O)OC(C)(C)C)C[N@@H+](CCO[C@H](C)C#N)CCO1 ZINC000879359671 590582888 /nfs/dbraw/zinc/58/28/88/590582888.db2.gz VJZPXIKZULWRQY-CZUORRHYSA-N 1 2 328.409 0.974 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)CC1 ZINC000133515326 590706827 /nfs/dbraw/zinc/70/68/27/590706827.db2.gz CDVSLIROCPIKFT-INIZCTEOSA-N 1 2 334.464 0.841 20 30 ECEDLO N#C[C@@]12CN(C(=O)Cc3cn4ccccc4[nH+]3)C[C@@H]1CS(=O)(=O)C2 ZINC000885319866 590716389 /nfs/dbraw/zinc/71/63/89/590716389.db2.gz BREBUIKYRRRRPE-WBMJQRKESA-N 1 2 344.396 0.274 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2c3c(nn2C)CCCC3)C1 ZINC000885508894 590728571 /nfs/dbraw/zinc/72/85/71/590728571.db2.gz NGQSLKZPNPSJKX-ZDUSSCGKSA-N 1 2 336.461 0.675 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2c3c(nn2C)CCCC3)C1 ZINC000885508894 590728572 /nfs/dbraw/zinc/72/85/72/590728572.db2.gz NGQSLKZPNPSJKX-ZDUSSCGKSA-N 1 2 336.461 0.675 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CC2(CC(=O)OC)CC2)C1 ZINC000885511123 590728629 /nfs/dbraw/zinc/72/86/29/590728629.db2.gz CQPKPKORODQUMX-CYBMUJFWSA-N 1 2 328.434 0.347 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CC2(CC(=O)OC)CC2)C1 ZINC000885511123 590728632 /nfs/dbraw/zinc/72/86/32/590728632.db2.gz CQPKPKORODQUMX-CYBMUJFWSA-N 1 2 328.434 0.347 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)C[C@@H](OC)[C@@H]2CCOC2)C1 ZINC000885509841 590728924 /nfs/dbraw/zinc/72/89/24/590728924.db2.gz XWSKISAIGWHEJK-QLFBSQMISA-N 1 2 330.450 0.055 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)C[C@@H](OC)[C@@H]2CCOC2)C1 ZINC000885509841 590728925 /nfs/dbraw/zinc/72/89/25/590728925.db2.gz XWSKISAIGWHEJK-QLFBSQMISA-N 1 2 330.450 0.055 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)Cc2cc(OC)ns2)C1 ZINC000885508823 590728951 /nfs/dbraw/zinc/72/89/51/590728951.db2.gz MBZNLYQEAKTYLS-NSHDSACASA-N 1 2 329.447 0.669 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)Cc2cc(OC)ns2)C1 ZINC000885508823 590728955 /nfs/dbraw/zinc/72/89/55/590728955.db2.gz MBZNLYQEAKTYLS-NSHDSACASA-N 1 2 329.447 0.669 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000885511622 590730478 /nfs/dbraw/zinc/73/04/78/590730478.db2.gz LEWUNRXGMYJGSP-CYBMUJFWSA-N 1 2 346.416 0.038 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(-n3cnnn3)c2)C1 ZINC000885511622 590730481 /nfs/dbraw/zinc/73/04/81/590730481.db2.gz LEWUNRXGMYJGSP-CYBMUJFWSA-N 1 2 346.416 0.038 20 30 ECEDLO C=C[C@H](O)C(=O)N[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2cc[nH+]c21 ZINC000887299768 590958538 /nfs/dbraw/zinc/95/85/38/590958538.db2.gz HJHBPFZIZFJIOV-RYUDHWBXSA-N 1 2 348.403 0.937 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)NCC[C@@H]2CCCS2(=O)=O)C1 ZINC000889805783 591099064 /nfs/dbraw/zinc/09/90/64/591099064.db2.gz RQOWQVXWZAMPCD-KBPBESRZSA-N 1 2 327.450 0.351 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[C@@H]2CCCS2(=O)=O)C1 ZINC000889805783 591099070 /nfs/dbraw/zinc/09/90/70/591099070.db2.gz RQOWQVXWZAMPCD-KBPBESRZSA-N 1 2 327.450 0.351 20 30 ECEDLO Cn1nnc(C[N@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)CC[C@@H]3C2)n1 ZINC000946589125 611356437 /nfs/dbraw/zinc/35/64/37/611356437.db2.gz HMFNGACFCOKYMW-GASCZTMLSA-N 1 2 328.420 0.294 20 30 ECEDLO Cn1nnc(C[N@@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)CC[C@@H]3C2)n1 ZINC000946589125 611356438 /nfs/dbraw/zinc/35/64/38/611356438.db2.gz HMFNGACFCOKYMW-GASCZTMLSA-N 1 2 328.420 0.294 20 30 ECEDLO COc1ccc(C(=O)NCCN2CC[NH+](C[C@H](O)CC#N)CC2)cc1 ZINC000929973343 611373589 /nfs/dbraw/zinc/37/35/89/611373589.db2.gz YJOCPAVENCDFHE-MRXNPFEDSA-N 1 2 346.431 0.317 20 30 ECEDLO O=C(C#CC1CC1)N1CCC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000946696585 611418506 /nfs/dbraw/zinc/41/85/06/611418506.db2.gz VCNPPMAIJAGOOF-HNNXBMFYSA-N 1 2 340.427 0.966 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000948102195 611428507 /nfs/dbraw/zinc/42/85/07/611428507.db2.gz FPIDUSFDXRNQTG-CHWSQXEVSA-N 1 2 329.404 0.712 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)NC1CCN(C(=O)[C@H](C)C#N)CC1 ZINC000948109473 611431373 /nfs/dbraw/zinc/43/13/73/611431373.db2.gz HHFYSAQRHUGGTN-GFCCVEGCSA-N 1 2 330.388 0.900 20 30 ECEDLO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000948201332 611465464 /nfs/dbraw/zinc/46/54/64/611465464.db2.gz CHQDJUQXLPJQRE-IAQYHMDHSA-N 1 2 340.387 0.439 20 30 ECEDLO C=C1CCC(CNC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)CC1 ZINC000926539811 611554705 /nfs/dbraw/zinc/55/47/05/611554705.db2.gz KGOAPLZCFXAQEG-HNNXBMFYSA-N 1 2 338.452 0.560 20 30 ECEDLO C=C1CCC(CNC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)CC1 ZINC000926539811 611554707 /nfs/dbraw/zinc/55/47/07/611554707.db2.gz KGOAPLZCFXAQEG-HNNXBMFYSA-N 1 2 338.452 0.560 20 30 ECEDLO C=C(Br)CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000175722481 608601951 /nfs/dbraw/zinc/60/19/51/608601951.db2.gz YNPZNVSABYXSBW-LLVKDONJSA-N 1 2 336.230 0.230 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC2(CC1)C[N@@H+]([C@H]1CCNC1=O)CCO2 ZINC000949433495 608677465 /nfs/dbraw/zinc/67/74/65/608677465.db2.gz WYWUQSJLKMOYER-AWEZNQCLSA-N 1 2 335.448 0.781 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC2(CC1)C[N@H+]([C@H]1CCNC1=O)CCO2 ZINC000949433495 608677466 /nfs/dbraw/zinc/67/74/66/608677466.db2.gz WYWUQSJLKMOYER-AWEZNQCLSA-N 1 2 335.448 0.781 20 30 ECEDLO C#CCN(C)c1cnc(-c2noc([C@@H]3C[N@@H+](C)C[C@@H](C)O3)n2)cn1 ZINC000924060034 608805151 /nfs/dbraw/zinc/80/51/51/608805151.db2.gz ASWVLOYMZKDWBJ-YPMHNXCESA-N 1 2 328.376 0.988 20 30 ECEDLO C#CCN(C)c1cnc(-c2noc([C@@H]3C[N@H+](C)C[C@@H](C)O3)n2)cn1 ZINC000924060034 608805154 /nfs/dbraw/zinc/80/51/54/608805154.db2.gz ASWVLOYMZKDWBJ-YPMHNXCESA-N 1 2 328.376 0.988 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC000936985260 608848761 /nfs/dbraw/zinc/84/87/61/608848761.db2.gz KZUFMSZTGSDGNE-CVEARBPZSA-N 1 2 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ZINC000913873960 609830399 /nfs/dbraw/zinc/83/03/99/609830399.db2.gz YRKPWDLMUHSGJS-IRXDYDNUSA-N 1 2 331.416 0.571 20 30 ECEDLO C#CC[C@@H](CO)NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000913873960 609830400 /nfs/dbraw/zinc/83/04/00/609830400.db2.gz YRKPWDLMUHSGJS-IRXDYDNUSA-N 1 2 331.416 0.571 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000938602760 609895477 /nfs/dbraw/zinc/89/54/77/609895477.db2.gz RYLYEQRVQAQIEK-XHSDSOJGSA-N 1 2 346.431 0.993 20 30 ECEDLO C[C@H]([C@H](C)NC(=O)N1C[C@@H](C)N(CC#N)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000917016825 609957761 /nfs/dbraw/zinc/95/77/61/609957761.db2.gz XNVSFNDQMBURAU-XUWVNRHRSA-N 1 2 337.468 0.723 20 30 ECEDLO C#C[C@H](NC(=O)c1cccn1CC[NH+]1CCOCC1)C1CCOCC1 ZINC000912693073 609990969 /nfs/dbraw/zinc/99/09/69/609990969.db2.gz RPVSBMSYNYIOMB-KRWDZBQOSA-N 1 2 345.443 0.979 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)nc1 ZINC000938779804 609995490 /nfs/dbraw/zinc/99/54/90/609995490.db2.gz 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/nfs/dbraw/zinc/33/23/95/610332395.db2.gz ONVWCRZWFRRKQQ-UHFFFAOYSA-N 1 2 338.415 0.195 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C[C@@H](C)c3cnn(C)c3)CC2)C1 ZINC000941499492 610344228 /nfs/dbraw/zinc/34/42/28/610344228.db2.gz WBZAACZMXUVLCX-MRXNPFEDSA-N 1 2 343.475 0.765 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCCN(C(=O)Cc3c[nH+]c[nH]3)CC2)[nH]1 ZINC000940789702 610364052 /nfs/dbraw/zinc/36/40/52/610364052.db2.gz YFGFBPXLWXVYJN-UHFFFAOYSA-N 1 2 326.360 0.527 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnc4c(cnn4C)c3)CC2)C1 ZINC000941618321 610413452 /nfs/dbraw/zinc/41/34/52/610413452.db2.gz SZDQWFPDGAPZFJ-UHFFFAOYSA-N 1 2 338.415 0.044 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(CC)c[nH]c3=O)CC2)C1 ZINC000941621171 610425906 /nfs/dbraw/zinc/42/59/06/610425906.db2.gz VWLFYHXVPJYMIH-UHFFFAOYSA-N 1 2 342.443 0.815 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000941673260 610446277 /nfs/dbraw/zinc/44/62/77/610446277.db2.gz HGTKCSZEEYOWOV-GFCCVEGCSA-N 1 2 326.360 0.193 20 30 ECEDLO 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/nfs/dbraw/zinc/54/15/48/610541548.db2.gz UYVUBWSCMLJEGT-MRXNPFEDSA-N 1 2 337.383 0.680 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2nncn2C)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941929780 610567472 /nfs/dbraw/zinc/56/74/72/610567472.db2.gz PCVCXSCLQZUURC-DGCLKSJQSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2nncn2C)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941929780 610567474 /nfs/dbraw/zinc/56/74/74/610567474.db2.gz PCVCXSCLQZUURC-DGCLKSJQSA-N 1 2 327.392 0.655 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@H](C)N3CCCCC3=O)CC2)C1 ZINC000941403576 610720396 /nfs/dbraw/zinc/72/03/96/610720396.db2.gz BUBSSOZTOJGEOT-INIZCTEOSA-N 1 2 346.475 0.239 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCCCN(C(=O)Cn3cc[nH+]c3)C2)c1 ZINC000943164946 610734525 /nfs/dbraw/zinc/73/45/25/610734525.db2.gz KMBQJZUMRYAKDS-CQSZACIVSA-N 1 2 340.387 0.894 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CCCN2C(=O)Cc2c[nH+]c[nH]2)c1 ZINC000944328500 610839157 /nfs/dbraw/zinc/83/91/57/610839157.db2.gz HCYAPRFHVYZIKC-MRXNPFEDSA-N 1 2 337.383 0.750 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ZINC000949320712 611938237 /nfs/dbraw/zinc/93/82/37/611938237.db2.gz UBHRJEKZISKCRS-UONOGXRCSA-N 1 2 334.420 0.070 20 30 ECEDLO N#Cc1cc(C(=O)NCC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)c[nH]1 ZINC000949351253 611948596 /nfs/dbraw/zinc/94/85/96/611948596.db2.gz UTEZIYOKTTXKLK-UHFFFAOYSA-N 1 2 340.387 0.821 20 30 ECEDLO N#CCN1CCOC2(CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)C1 ZINC000949398107 611964767 /nfs/dbraw/zinc/96/47/67/611964767.db2.gz HOPXRPOGTFGAQH-OAHLLOKOSA-N 1 2 343.431 0.662 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@]3(C)CCC(=O)NC3)CC2)C1 ZINC000949447512 611983703 /nfs/dbraw/zinc/98/37/03/611983703.db2.gz SDLDNLHFUNFVES-KRWDZBQOSA-N 1 2 333.432 0.229 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@]3(C)CCC(=O)NC3)CC2)C1 ZINC000949447512 611983705 /nfs/dbraw/zinc/98/37/05/611983705.db2.gz SDLDNLHFUNFVES-KRWDZBQOSA-N 1 2 333.432 0.229 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000949453139 611986470 /nfs/dbraw/zinc/98/64/70/611986470.db2.gz ZBXKGIGMJQZUIU-ZDUSSCGKSA-N 1 2 340.387 0.583 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000952784545 612100331 /nfs/dbraw/zinc/10/03/31/612100331.db2.gz MWOBXOOOGHRQDI-APIJFGDWSA-N 1 2 334.420 0.069 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000952784545 612100333 /nfs/dbraw/zinc/10/03/33/612100333.db2.gz MWOBXOOOGHRQDI-APIJFGDWSA-N 1 2 334.420 0.069 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)Cc2c[nH+]cn2C)nc1 ZINC000951377936 612194384 /nfs/dbraw/zinc/19/43/84/612194384.db2.gz KLVBTGADPBGRKC-AWEZNQCLSA-N 1 2 337.383 0.370 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@]2(CCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC000953201791 612201928 /nfs/dbraw/zinc/20/19/28/612201928.db2.gz XCIWYYLJRLTPPR-KDOFPFPSSA-N 1 2 343.431 0.963 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000955114545 612273726 /nfs/dbraw/zinc/27/37/26/612273726.db2.gz TXNOXRHNDHIYNB-YOEHRIQHSA-N 1 2 346.431 0.993 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC000953373632 612281734 /nfs/dbraw/zinc/28/17/34/612281734.db2.gz IZRWVLXQNBCFSK-NVXWUHKLSA-N 1 2 340.427 0.825 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)C1CN(C(=O)[C@@H](C)C#N)C1)C2 ZINC000954609014 612447202 /nfs/dbraw/zinc/44/72/02/612447202.db2.gz OPBNGVWGOLGZCT-JQWIXIFHSA-N 1 2 329.404 0.652 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)C1CN(C(=O)[C@@H](C)C#N)C1)CC2 ZINC000954609014 612447204 /nfs/dbraw/zinc/44/72/04/612447204.db2.gz OPBNGVWGOLGZCT-JQWIXIFHSA-N 1 2 329.404 0.652 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC000952538133 612492734 /nfs/dbraw/zinc/49/27/34/612492734.db2.gz MSBTVGRVMMVLQY-CVEARBPZSA-N 1 2 340.427 0.968 20 30 ECEDLO C[C@@]1(NC(=O)c2cc(C#N)c[nH]2)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000956801789 612565690 /nfs/dbraw/zinc/56/56/90/612565690.db2.gz AGNFIUBFTJEBGR-MRXNPFEDSA-N 1 2 326.360 0.573 20 30 ECEDLO O=C(C#CC1CC1)N1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000956004346 612596004 /nfs/dbraw/zinc/59/60/04/612596004.db2.gz XBLRUIXWMVFIFQ-HOTGVXAUSA-N 1 2 340.427 0.966 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000956078967 612682882 /nfs/dbraw/zinc/68/28/82/612682882.db2.gz AOAKFKYAZRTWGU-ZNMIVQPWSA-N 1 2 332.404 0.581 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)nc1 ZINC000954933037 612796102 /nfs/dbraw/zinc/79/61/02/612796102.db2.gz PBXKWOBIAWAWAD-UHFFFAOYSA-N 1 2 337.383 0.620 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCN2C(=O)Cc2c[nH+]c[nH]2)c1 ZINC000956254161 612802490 /nfs/dbraw/zinc/80/24/90/612802490.db2.gz DKZKLUMTKBJRIX-ZDUSSCGKSA-N 1 2 326.360 0.573 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000955797841 612845254 /nfs/dbraw/zinc/84/52/54/612845254.db2.gz OQBJKFIGVGMTII-YPMHNXCESA-N 1 2 340.387 0.961 20 30 ECEDLO COCCN1CC[N@H+](C)C2(CCN(c3cnc(C#N)cn3)CC2)C1=O ZINC001164632758 719269066 /nfs/dbraw/zinc/26/90/66/719269066.db2.gz BYOWEBHXAMCMIO-UHFFFAOYSA-N 1 2 344.419 0.108 20 30 ECEDLO COCCN1CC[N@@H+](C)C2(CCN(c3cnc(C#N)cn3)CC2)C1=O ZINC001164632758 719269068 /nfs/dbraw/zinc/26/90/68/719269068.db2.gz BYOWEBHXAMCMIO-UHFFFAOYSA-N 1 2 344.419 0.108 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC(=O)NC1=O ZINC001039477798 735390447 /nfs/dbraw/zinc/39/04/47/735390447.db2.gz MQRPNQJZIDARRB-UPJWGTAASA-N 1 2 339.823 0.857 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC(=O)NC1=O ZINC001039477798 735390449 /nfs/dbraw/zinc/39/04/49/735390449.db2.gz MQRPNQJZIDARRB-UPJWGTAASA-N 1 2 339.823 0.857 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC000971997101 735481983 /nfs/dbraw/zinc/48/19/83/735481983.db2.gz RPBASKYJGOMVOX-RISCZKNCSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC000971997101 735481985 /nfs/dbraw/zinc/48/19/85/735481985.db2.gz RPBASKYJGOMVOX-RISCZKNCSA-N 1 2 344.253 0.954 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)n3nc(C)cc3C)[C@H]2C1 ZINC001083275661 738493223 /nfs/dbraw/zinc/49/32/23/738493223.db2.gz PXNFMINONBQKFR-YESZJQIVSA-N 1 2 330.432 0.996 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)n3nc(C)cc3C)[C@H]2C1 ZINC001083275661 738493226 /nfs/dbraw/zinc/49/32/26/738493226.db2.gz PXNFMINONBQKFR-YESZJQIVSA-N 1 2 330.432 0.996 20 30 ECEDLO C#CCC[N@H+]1C[C@@H](NC(=O)c2snnc2CC)[C@@H](n2ccnn2)C1 ZINC001069973199 790265022 /nfs/dbraw/zinc/26/50/22/790265022.db2.gz QOYKJRJJJSPFSC-OLZOCXBDSA-N 1 2 345.432 0.371 20 30 ECEDLO C#CCC[N@@H+]1C[C@@H](NC(=O)c2snnc2CC)[C@@H](n2ccnn2)C1 ZINC001069973199 790265026 /nfs/dbraw/zinc/26/50/26/790265026.db2.gz QOYKJRJJJSPFSC-OLZOCXBDSA-N 1 2 345.432 0.371 20 30 ECEDLO COCCC(=O)N1CC[C@@H]([NH+]2CCN(c3nccnc3C#N)CC2)C1 ZINC001111963862 738557121 /nfs/dbraw/zinc/55/71/21/738557121.db2.gz YLRHGCXUSJZIST-CQSZACIVSA-N 1 2 344.419 0.108 20 30 ECEDLO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1C[NH+](CC(=O)NC2CCCC2)C1 ZINC000969513246 731940222 /nfs/dbraw/zinc/94/02/22/731940222.db2.gz BEKQFAWCIKZYLT-GFCCVEGCSA-N 1 2 343.431 0.995 20 30 ECEDLO CCOCC(=O)N1CC[C@H]([NH+]2CCN(c3ncccc3C#N)CC2)C1 ZINC001111963783 738556296 /nfs/dbraw/zinc/55/62/96/738556296.db2.gz WDMRHTSKHVQPTA-INIZCTEOSA-N 1 2 343.431 0.713 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cnnn2C)C1 ZINC000969692205 732051854 /nfs/dbraw/zinc/05/18/54/732051854.db2.gz LTFYRHLECYICNJ-WQVCFCJDSA-N 1 2 333.436 0.733 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C#N ZINC000969811042 732388092 /nfs/dbraw/zinc/38/80/92/732388092.db2.gz FWQLNRBTULFUHR-AEGPPILISA-N 1 2 342.399 0.994 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NCC[NH2+]Cc2nnc([C@H]3CCCOC3)o2)c1 ZINC001125360276 733172276 /nfs/dbraw/zinc/17/22/76/733172276.db2.gz AHULBKCSNWFWKF-LBPRGKRZSA-N 1 2 344.375 0.683 20 30 ECEDLO C#CCNC(=O)CC(=O)N[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001111985691 738758122 /nfs/dbraw/zinc/75/81/22/738758122.db2.gz OKKXPUAWQVQQEA-CQSZACIVSA-N 1 2 329.404 0.400 20 30 ECEDLO C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)C3CCS(=O)(=O)CC3)[C@H]2C1 ZINC001083212507 734289074 /nfs/dbraw/zinc/28/90/74/734289074.db2.gz RJEMPOLOHIZILI-LSDHHAIUSA-N 1 2 342.461 0.299 20 30 ECEDLO C=CCC[N@H+]1C[C@H]2OCCN(C(=O)C3CCS(=O)(=O)CC3)[C@H]2C1 ZINC001083212507 734289077 /nfs/dbraw/zinc/28/90/77/734289077.db2.gz RJEMPOLOHIZILI-LSDHHAIUSA-N 1 2 342.461 0.299 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CN(c2ccncc2C#N)CCO1 ZINC001104324821 734315493 /nfs/dbraw/zinc/31/54/93/734315493.db2.gz LTCUWBLCQUDLDC-AWEZNQCLSA-N 1 2 340.387 0.549 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CN(c2nc(C)[nH+]c(C)c2C)CCO1 ZINC001104330656 734371415 /nfs/dbraw/zinc/37/14/15/734371415.db2.gz UGGLQNOQLBSYCO-HOCLYGCPSA-N 1 2 346.431 0.762 20 30 ECEDLO CC(C)(C(=O)N(CCO)CCNc1cnc(C#N)cn1)c1c[nH+]c[nH]1 ZINC001111489127 734404201 /nfs/dbraw/zinc/40/42/01/734404201.db2.gz KIYSHXPGACNCTK-UHFFFAOYSA-N 1 2 343.391 0.282 20 30 ECEDLO N#Cc1ccc(N2CCO[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)cn1 ZINC001104350483 734527596 /nfs/dbraw/zinc/52/75/96/734527596.db2.gz XXWDJYKNXCZEPG-HNNXBMFYSA-N 1 2 326.360 0.240 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(=O)n(C)[nH]2)C1 ZINC000971555781 734742869 /nfs/dbraw/zinc/74/28/69/734742869.db2.gz KALUHFNZUGQGFQ-MCIONIFRSA-N 1 2 349.435 0.122 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2nc(=O)n(C)[nH]2)C1 ZINC000971555781 734742871 /nfs/dbraw/zinc/74/28/71/734742871.db2.gz KALUHFNZUGQGFQ-MCIONIFRSA-N 1 2 349.435 0.122 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4cnnc4)cc3)[C@H]2C1 ZINC001083223810 734942397 /nfs/dbraw/zinc/94/23/97/734942397.db2.gz QQEJTUSFTGSPRM-DLBZAZTESA-N 1 2 337.383 0.426 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4cnnc4)cc3)[C@H]2C1 ZINC001083223810 734942400 /nfs/dbraw/zinc/94/24/00/734942400.db2.gz QQEJTUSFTGSPRM-DLBZAZTESA-N 1 2 337.383 0.426 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC000971730132 735002216 /nfs/dbraw/zinc/00/22/16/735002216.db2.gz PDKLDCVXEUHGDG-RYUDHWBXSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC000971730132 735002215 /nfs/dbraw/zinc/00/22/15/735002215.db2.gz PDKLDCVXEUHGDG-RYUDHWBXSA-N 1 2 344.253 0.954 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3ccc(OC)cc3F)[C@H]2C1 ZINC001083238616 735549019 /nfs/dbraw/zinc/54/90/19/735549019.db2.gz QGMDYFHOSJWEOT-DLBZAZTESA-N 1 2 332.375 0.922 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3ccc(OC)cc3F)[C@H]2C1 ZINC001083238616 735549020 /nfs/dbraw/zinc/54/90/20/735549020.db2.gz QGMDYFHOSJWEOT-DLBZAZTESA-N 1 2 332.375 0.922 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972075064 735614424 /nfs/dbraw/zinc/61/44/24/735614424.db2.gz HVONNPVZYVLEIT-MNOVXSKESA-N 1 2 330.226 0.564 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972075064 735614426 /nfs/dbraw/zinc/61/44/26/735614426.db2.gz HVONNPVZYVLEIT-MNOVXSKESA-N 1 2 330.226 0.564 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CCC[C@@H]3CC)[C@H]2C1 ZINC001083241701 735642589 /nfs/dbraw/zinc/64/25/89/735642589.db2.gz UWRBHGDOUOQVGK-HRCADAONSA-N 1 2 333.432 0.322 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CCC[C@@H]3CC)[C@H]2C1 ZINC001083241701 735642591 /nfs/dbraw/zinc/64/25/91/735642591.db2.gz UWRBHGDOUOQVGK-HRCADAONSA-N 1 2 333.432 0.322 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(N4CCCC4)nn3)[C@H]2C1 ZINC001083245418 735798269 /nfs/dbraw/zinc/79/82/69/735798269.db2.gz QHEJLUKEOVSUEV-JKSUJKDBSA-N 1 2 341.415 0.235 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(N4CCCC4)nn3)[C@H]2C1 ZINC001083245418 735798273 /nfs/dbraw/zinc/79/82/73/735798273.db2.gz QHEJLUKEOVSUEV-JKSUJKDBSA-N 1 2 341.415 0.235 20 30 ECEDLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)C#N)C2)C1 ZINC000972296218 735902890 /nfs/dbraw/zinc/90/28/90/735902890.db2.gz AXEQMEHZYWHXSA-DYVFJYSZSA-N 1 2 331.420 0.692 20 30 ECEDLO Cc1nn(C)cc1C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)C#N)C2)C1 ZINC000972296218 735902893 /nfs/dbraw/zinc/90/28/93/735902893.db2.gz AXEQMEHZYWHXSA-DYVFJYSZSA-N 1 2 331.420 0.692 20 30 ECEDLO CN1CCC[C@@H]([N@@H+]2CCO[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)C1=O ZINC000972378081 736044370 /nfs/dbraw/zinc/04/43/70/736044370.db2.gz OYXWRKZYQKUIHQ-APWZRJJASA-N 1 2 345.443 0.324 20 30 ECEDLO CN1CCC[C@@H]([N@H+]2CCO[C@@]3(CCN(C(=O)C#CC4CC4)C3)C2)C1=O ZINC000972378081 736044375 /nfs/dbraw/zinc/04/43/75/736044375.db2.gz OYXWRKZYQKUIHQ-APWZRJJASA-N 1 2 345.443 0.324 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3cnn(C)c3C)C2)C1 ZINC000972399004 736123450 /nfs/dbraw/zinc/12/34/50/736123450.db2.gz IERSKTHCOSGXNK-GOSISDBHSA-N 1 2 330.432 0.598 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3cnn(C)c3C)C2)C1 ZINC000972399004 736123452 /nfs/dbraw/zinc/12/34/52/736123452.db2.gz IERSKTHCOSGXNK-GOSISDBHSA-N 1 2 330.432 0.598 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3cnn(C)c3C)C2)C1 ZINC000972400057 736125885 /nfs/dbraw/zinc/12/58/85/736125885.db2.gz QJZVRVNNXUVFSE-LJQANCHMSA-N 1 2 344.459 0.988 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3cnn(C)c3C)C2)C1 ZINC000972400057 736125890 /nfs/dbraw/zinc/12/58/90/736125890.db2.gz QJZVRVNNXUVFSE-LJQANCHMSA-N 1 2 344.459 0.988 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4n[nH]nc4n3)C2)C1 ZINC000972411191 736143527 /nfs/dbraw/zinc/14/35/27/736143527.db2.gz YXGPLDSRPFKSRF-MRXNPFEDSA-N 1 2 328.376 0.456 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4n[nH]nc4n3)C2)C1 ZINC000972411191 736143528 /nfs/dbraw/zinc/14/35/28/736143528.db2.gz YXGPLDSRPFKSRF-MRXNPFEDSA-N 1 2 328.376 0.456 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC(=O)N(CC(C)C)C3)C2)C1 ZINC000972408420 736145009 /nfs/dbraw/zinc/14/50/09/736145009.db2.gz ODANXNMNQFYEHQ-LPHOPBHVSA-N 1 2 349.475 0.980 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC(=O)N(CC(C)C)C3)C2)C1 ZINC000972408420 736145013 /nfs/dbraw/zinc/14/50/13/736145013.db2.gz ODANXNMNQFYEHQ-LPHOPBHVSA-N 1 2 349.475 0.980 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCO4)C2)C1 ZINC000972413561 736149576 /nfs/dbraw/zinc/14/95/76/736149576.db2.gz MUGRTZZNTLMDGT-KRWDZBQOSA-N 1 2 330.388 0.216 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCO4)C2)C1 ZINC000972413561 736149580 /nfs/dbraw/zinc/14/95/80/736149580.db2.gz MUGRTZZNTLMDGT-KRWDZBQOSA-N 1 2 330.388 0.216 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(OCC)n[nH]3)C2)C1 ZINC000972424611 736171637 /nfs/dbraw/zinc/17/16/37/736171637.db2.gz KLYSHKVIHBAMCM-KRWDZBQOSA-N 1 2 332.404 0.749 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(OCC)n[nH]3)C2)C1 ZINC000972424611 736171643 /nfs/dbraw/zinc/17/16/43/736171643.db2.gz KLYSHKVIHBAMCM-KRWDZBQOSA-N 1 2 332.404 0.749 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(C)CCNC(=O)C3)C2)C1 ZINC000972431577 736181302 /nfs/dbraw/zinc/18/13/02/736181302.db2.gz RLFZLENZXXTTRT-MSOLQXFVSA-N 1 2 333.432 0.229 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(C)CCNC(=O)C3)C2)C1 ZINC000972431577 736181304 /nfs/dbraw/zinc/18/13/04/736181304.db2.gz RLFZLENZXXTTRT-MSOLQXFVSA-N 1 2 333.432 0.229 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn(C)nc3COC)C2)C1 ZINC000972437268 736195229 /nfs/dbraw/zinc/19/52/29/736195229.db2.gz ANZRDHVZSZIHFZ-GOSISDBHSA-N 1 2 346.431 0.507 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn(C)nc3COC)C2)C1 ZINC000972437268 736195233 /nfs/dbraw/zinc/19/52/33/736195233.db2.gz ANZRDHVZSZIHFZ-GOSISDBHSA-N 1 2 346.431 0.507 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCn4ccnc4C3)C2)C1 ZINC000972441660 736202624 /nfs/dbraw/zinc/20/26/24/736202624.db2.gz UNSLNLXIERCTTQ-LPHOPBHVSA-N 1 2 342.443 0.772 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCn4ccnc4C3)C2)C1 ZINC000972441660 736202627 /nfs/dbraw/zinc/20/26/27/736202627.db2.gz UNSLNLXIERCTTQ-LPHOPBHVSA-N 1 2 342.443 0.772 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4ncnn43)C2)C1 ZINC000972453968 736238120 /nfs/dbraw/zinc/23/81/20/736238120.db2.gz RRJZEZYDPVZKSK-SFHVURJKSA-N 1 2 339.399 0.670 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc4ncnn43)C2)C1 ZINC000972453968 736238123 /nfs/dbraw/zinc/23/81/23/736238123.db2.gz RRJZEZYDPVZKSK-SFHVURJKSA-N 1 2 339.399 0.670 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc4ncnn43)C2)C1 ZINC000972453963 736238353 /nfs/dbraw/zinc/23/83/53/736238353.db2.gz RRJZEZYDPVZKSK-GOSISDBHSA-N 1 2 339.399 0.670 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc4ncnn43)C2)C1 ZINC000972453963 736238356 /nfs/dbraw/zinc/23/83/56/736238356.db2.gz RRJZEZYDPVZKSK-GOSISDBHSA-N 1 2 339.399 0.670 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCCC(=O)N3)C2)C1 ZINC000972458673 736252974 /nfs/dbraw/zinc/25/29/74/736252974.db2.gz MMQDUMYDCMRLJP-YJBOKZPZSA-N 1 2 333.432 0.372 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CCCC(=O)N3)C2)C1 ZINC000972458673 736252977 /nfs/dbraw/zinc/25/29/77/736252977.db2.gz MMQDUMYDCMRLJP-YJBOKZPZSA-N 1 2 333.432 0.372 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4nnnn4c3)C2)C1 ZINC000972463477 736262486 /nfs/dbraw/zinc/26/24/86/736262486.db2.gz UOISKGLOWKSKNU-QGZVFWFLSA-N 1 2 340.387 0.065 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4nnnn4c3)C2)C1 ZINC000972463477 736262488 /nfs/dbraw/zinc/26/24/88/736262488.db2.gz UOISKGLOWKSKNU-QGZVFWFLSA-N 1 2 340.387 0.065 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3cc(CC)nn3C)C2)C1 ZINC000972476421 736294681 /nfs/dbraw/zinc/29/46/81/736294681.db2.gz XTYTYRCNQCPTTN-SFHVURJKSA-N 1 2 330.432 0.462 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cc(CC)nn3C)C2)C1 ZINC000972476421 736294683 /nfs/dbraw/zinc/29/46/83/736294683.db2.gz XTYTYRCNQCPTTN-SFHVURJKSA-N 1 2 330.432 0.462 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3nc(C)no3)C2)C1 ZINC000972483306 736317655 /nfs/dbraw/zinc/31/76/55/736317655.db2.gz GGAFKLGKFSDVHV-QGZVFWFLSA-N 1 2 332.404 0.637 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3nc(C)no3)C2)C1 ZINC000972483306 736317663 /nfs/dbraw/zinc/31/76/63/736317663.db2.gz GGAFKLGKFSDVHV-QGZVFWFLSA-N 1 2 332.404 0.637 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3c(C)nn(C)c3C)C2)C1 ZINC000972488754 736348871 /nfs/dbraw/zinc/34/88/71/736348871.db2.gz HLEJHEFVYPBDOD-IBGZPJMESA-N 1 2 344.459 0.906 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3c(C)nn(C)c3C)C2)C1 ZINC000972488754 736348876 /nfs/dbraw/zinc/34/88/76/736348876.db2.gz HLEJHEFVYPBDOD-IBGZPJMESA-N 1 2 344.459 0.906 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]([N@@H+](C)Cc3cnnn3CC)C2)nn1 ZINC000972502361 736431089 /nfs/dbraw/zinc/43/10/89/736431089.db2.gz VONCUQDVJTUPNS-ZDUSSCGKSA-N 1 2 344.423 0.422 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]([N@H+](C)Cc3cnnn3CC)C2)nn1 ZINC000972502361 736431092 /nfs/dbraw/zinc/43/10/92/736431092.db2.gz VONCUQDVJTUPNS-ZDUSSCGKSA-N 1 2 344.423 0.422 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3ncccc3OC)C2)C1 ZINC000972519731 736543617 /nfs/dbraw/zinc/54/36/17/736543617.db2.gz YLYRDNKKRNHZLM-SFHVURJKSA-N 1 2 329.400 0.569 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3ncccc3OC)C2)C1 ZINC000972519731 736543620 /nfs/dbraw/zinc/54/36/20/736543620.db2.gz YLYRDNKKRNHZLM-SFHVURJKSA-N 1 2 329.400 0.569 20 30 ECEDLO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC000972568578 736850711 /nfs/dbraw/zinc/85/07/11/736850711.db2.gz OTZMYEAVAGPVDH-LBPRGKRZSA-N 1 2 330.392 0.180 20 30 ECEDLO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC000972568578 736850715 /nfs/dbraw/zinc/85/07/15/736850715.db2.gz OTZMYEAVAGPVDH-LBPRGKRZSA-N 1 2 330.392 0.180 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(C)c[nH]c3CC(N)=O)C2)C1 ZINC000972572720 736887693 /nfs/dbraw/zinc/88/76/93/736887693.db2.gz SHIUVEBKDPDCLA-GOSISDBHSA-N 1 2 346.431 0.454 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(C)c[nH]c3CC(N)=O)C2)C1 ZINC000972572720 736887695 /nfs/dbraw/zinc/88/76/95/736887695.db2.gz SHIUVEBKDPDCLA-GOSISDBHSA-N 1 2 346.431 0.454 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn(CCC)nn3)C2)C1 ZINC000972617539 737108610 /nfs/dbraw/zinc/10/86/10/737108610.db2.gz QFVSOXMTUDDSGA-QGZVFWFLSA-N 1 2 331.420 0.628 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn(CCC)nn3)C2)C1 ZINC000972617539 737108613 /nfs/dbraw/zinc/10/86/13/737108613.db2.gz QFVSOXMTUDDSGA-QGZVFWFLSA-N 1 2 331.420 0.628 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC[C@@H]3CC)C2)C1 ZINC000972627539 737155495 /nfs/dbraw/zinc/15/54/95/737155495.db2.gz JHWGOVAFCIBBHH-YJBOKZPZSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(=O)N3CCC[C@@H]3CC)C2)C1 ZINC000972627539 737155497 /nfs/dbraw/zinc/15/54/97/737155497.db2.gz JHWGOVAFCIBBHH-YJBOKZPZSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3csc(COC)n3)C2)C1 ZINC000972629967 737162137 /nfs/dbraw/zinc/16/21/37/737162137.db2.gz GDAXYPWPOQZUQF-KRWDZBQOSA-N 1 2 349.456 0.769 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3csc(COC)n3)C2)C1 ZINC000972629967 737162141 /nfs/dbraw/zinc/16/21/41/737162141.db2.gz GDAXYPWPOQZUQF-KRWDZBQOSA-N 1 2 349.456 0.769 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4n[nH]nc4C3)C2)C1 ZINC000972638239 737197198 /nfs/dbraw/zinc/19/71/98/737197198.db2.gz IEEJNVMAPKZYCK-DYVFJYSZSA-N 1 2 331.420 0.399 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4n[nH]nc4C3)C2)C1 ZINC000972638239 737197204 /nfs/dbraw/zinc/19/72/04/737197204.db2.gz IEEJNVMAPKZYCK-DYVFJYSZSA-N 1 2 331.420 0.399 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4n[nH]nc4C3)C2)C1 ZINC000972638243 737197647 /nfs/dbraw/zinc/19/76/47/737197647.db2.gz IEEJNVMAPKZYCK-SUMWQHHRSA-N 1 2 331.420 0.399 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4n[nH]nc4C3)C2)C1 ZINC000972638243 737197648 /nfs/dbraw/zinc/19/76/48/737197648.db2.gz IEEJNVMAPKZYCK-SUMWQHHRSA-N 1 2 331.420 0.399 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ncnn3C)C2)cn1 ZINC001023711484 737219429 /nfs/dbraw/zinc/21/94/29/737219429.db2.gz ZZMFOGKOQZIBKU-CQSZACIVSA-N 1 2 338.415 0.833 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3ncnn3C)C2)cn1 ZINC001023711484 737219433 /nfs/dbraw/zinc/21/94/33/737219433.db2.gz ZZMFOGKOQZIBKU-CQSZACIVSA-N 1 2 338.415 0.833 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cn(C)nn3)C2)nc1 ZINC001023709669 737227978 /nfs/dbraw/zinc/22/79/78/737227978.db2.gz YJMJYIAPKDRPMB-OAHLLOKOSA-N 1 2 338.415 0.833 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cn(C)nn3)C2)nc1 ZINC001023709669 737227979 /nfs/dbraw/zinc/22/79/79/737227979.db2.gz YJMJYIAPKDRPMB-OAHLLOKOSA-N 1 2 338.415 0.833 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CC)N3CCCC3=O)C2)C1 ZINC000972675386 737347033 /nfs/dbraw/zinc/34/70/33/737347033.db2.gz XLBYMJDKWRVCEB-YJBOKZPZSA-N 1 2 335.448 0.877 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CC)N3CCCC3=O)C2)C1 ZINC000972675386 737347037 /nfs/dbraw/zinc/34/70/37/737347037.db2.gz XLBYMJDKWRVCEB-YJBOKZPZSA-N 1 2 335.448 0.877 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](CC)N3CCCC3=O)C2)C1 ZINC000972675381 737347428 /nfs/dbraw/zinc/34/74/28/737347428.db2.gz XLBYMJDKWRVCEB-MAUKXSAKSA-N 1 2 335.448 0.877 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](CC)N3CCCC3=O)C2)C1 ZINC000972675381 737347432 /nfs/dbraw/zinc/34/74/32/737347432.db2.gz XLBYMJDKWRVCEB-MAUKXSAKSA-N 1 2 335.448 0.877 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccnc3C(N)=O)C2)C1 ZINC000972681776 737369103 /nfs/dbraw/zinc/36/91/03/737369103.db2.gz AFEIEBGSNCQMCU-SFHVURJKSA-N 1 2 342.399 0.121 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccnc3C(N)=O)C2)C1 ZINC000972681776 737369108 /nfs/dbraw/zinc/36/91/08/737369108.db2.gz AFEIEBGSNCQMCU-SFHVURJKSA-N 1 2 342.399 0.121 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ncc4n3CCCC4)C2)C1 ZINC000972683524 737373010 /nfs/dbraw/zinc/37/30/10/737373010.db2.gz NGIPPSXBACJFBX-GOSISDBHSA-N 1 2 328.416 0.770 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ncc4n3CCCC4)C2)C1 ZINC000972683524 737373014 /nfs/dbraw/zinc/37/30/14/737373014.db2.gz NGIPPSXBACJFBX-GOSISDBHSA-N 1 2 328.416 0.770 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(C(N)=O)n3)C2)C1 ZINC000972692945 737400412 /nfs/dbraw/zinc/40/04/12/737400412.db2.gz TUWQSKIZLQGCAU-SFHVURJKSA-N 1 2 342.399 0.121 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(C(N)=O)n3)C2)C1 ZINC000972692945 737400414 /nfs/dbraw/zinc/40/04/14/737400414.db2.gz TUWQSKIZLQGCAU-SFHVURJKSA-N 1 2 342.399 0.121 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccc(C(N)=O)cc3)C2)C1 ZINC000972696956 737409091 /nfs/dbraw/zinc/40/90/91/737409091.db2.gz RGGNTOMAIJCUNI-IBGZPJMESA-N 1 2 341.411 0.265 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccc(C(N)=O)cc3)C2)C1 ZINC000972696956 737409095 /nfs/dbraw/zinc/40/90/95/737409095.db2.gz RGGNTOMAIJCUNI-IBGZPJMESA-N 1 2 341.411 0.265 20 30 ECEDLO CN1C[C@H](C(=O)NC[C@H]2CC[N@@H+]2CC#Cc2ccccc2)CC1=O ZINC001038308415 738176393 /nfs/dbraw/zinc/17/63/93/738176393.db2.gz CWERAIFUHSNCGU-IAGOWNOFSA-N 1 2 325.412 0.707 20 30 ECEDLO CN1C[C@H](C(=O)NC[C@H]2CC[N@H+]2CC#Cc2ccccc2)CC1=O ZINC001038308415 738176395 /nfs/dbraw/zinc/17/63/95/738176395.db2.gz CWERAIFUHSNCGU-IAGOWNOFSA-N 1 2 325.412 0.707 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@@H](O)[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001024623697 738180550 /nfs/dbraw/zinc/18/05/50/738180550.db2.gz QAYGXTNQPPIEIR-UKRRQHHQSA-N 1 2 338.367 0.049 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001024661015 738205902 /nfs/dbraw/zinc/20/59/02/738205902.db2.gz WLQGSFQFGCVUBA-MCIONIFRSA-N 1 2 349.435 0.170 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001024661015 738205904 /nfs/dbraw/zinc/20/59/04/738205904.db2.gz WLQGSFQFGCVUBA-MCIONIFRSA-N 1 2 349.435 0.170 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cncn2C)nn1 ZINC001024700295 738230114 /nfs/dbraw/zinc/23/01/14/738230114.db2.gz XGFJAXUQYYOFSX-CQSZACIVSA-N 1 2 343.435 0.982 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cncn2C)nn1 ZINC001024700295 738230116 /nfs/dbraw/zinc/23/01/16/738230116.db2.gz XGFJAXUQYYOFSX-CQSZACIVSA-N 1 2 343.435 0.982 20 30 ECEDLO C[C@@H](CNc1ccnc(C#N)n1)N(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001104613035 739210224 /nfs/dbraw/zinc/21/02/24/739210224.db2.gz FULRBCQZOBFFRP-ZDUSSCGKSA-N 1 2 346.435 0.140 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1cnnn1C ZINC001028197920 751463121 /nfs/dbraw/zinc/46/31/21/751463121.db2.gz URUGOJLHEAYBOM-KBMXLJTQSA-N 1 2 333.436 0.877 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cnnn1C ZINC001028197920 751463125 /nfs/dbraw/zinc/46/31/25/751463125.db2.gz URUGOJLHEAYBOM-KBMXLJTQSA-N 1 2 333.436 0.877 20 30 ECEDLO Cc1cc(C)c(C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)c(C)[nH+]1 ZINC001058654837 739806315 /nfs/dbraw/zinc/80/63/15/739806315.db2.gz JTFFYHBOOLISPR-LBPRGKRZSA-N 1 2 332.404 0.717 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1F ZINC001025776105 739945064 /nfs/dbraw/zinc/94/50/64/739945064.db2.gz YBPREOLUVHYJSW-QUEVPRLRSA-N 1 2 344.346 0.909 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1F ZINC001025776105 739945067 /nfs/dbraw/zinc/94/50/67/739945067.db2.gz YBPREOLUVHYJSW-QUEVPRLRSA-N 1 2 344.346 0.909 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C)nn1 ZINC000988070903 751497428 /nfs/dbraw/zinc/49/74/28/751497428.db2.gz VGSRNUJSILFLAR-OLZOCXBDSA-N 1 2 343.391 0.080 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000974002007 740751687 /nfs/dbraw/zinc/75/16/87/740751687.db2.gz JIPHOMWYIMQSSN-TXEJJXNPSA-N 1 2 326.360 0.538 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cnc(C)cn3)C2)C1=O ZINC001006632777 751599198 /nfs/dbraw/zinc/59/91/98/751599198.db2.gz CPFIRVVNCKNDNK-GOEBONIOSA-N 1 2 343.431 0.766 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cnc(C)cn3)C2)C1=O ZINC001006632777 751599200 /nfs/dbraw/zinc/59/92/00/751599200.db2.gz CPFIRVVNCKNDNK-GOEBONIOSA-N 1 2 343.431 0.766 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccoc3)C2)nn1 ZINC001105217586 741482182 /nfs/dbraw/zinc/48/21/82/741482182.db2.gz DNTXRXSZCIIXJS-UHFFFAOYSA-N 1 2 343.387 0.237 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@@H](Nc1[nH+]cnc2c1cnn2C)C(C)C ZINC001105224273 741505142 /nfs/dbraw/zinc/50/51/42/741505142.db2.gz BZGONNJLSJBBCG-GXTWGEPZSA-N 1 2 344.419 0.954 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]c(CC(C)C)n3)C2)nn1 ZINC001105240367 741530924 /nfs/dbraw/zinc/53/09/24/741530924.db2.gz KJYCCLQXVBKHBB-UHFFFAOYSA-N 1 2 341.419 0.620 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC(n2cc(C[NH2+]CC(=O)N(C)C)nn2)C1 ZINC001105249204 741552796 /nfs/dbraw/zinc/55/27/96/741552796.db2.gz OFXDHQMXSHREMC-UHFFFAOYSA-N 1 2 348.451 0.442 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc4cc(C)ccn43)C2)nn1 ZINC001105249348 741553157 /nfs/dbraw/zinc/55/31/57/741553157.db2.gz QSXXAFYAXQUSKK-UHFFFAOYSA-N 1 2 349.398 0.654 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ncc(OC)cc3F)C2)nn1 ZINC001105254400 741568498 /nfs/dbraw/zinc/56/84/98/741568498.db2.gz ZDUBZTRRRWAOFZ-UHFFFAOYSA-N 1 2 344.350 0.241 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3scnc3CC)C2)nn1 ZINC001105254341 741568657 /nfs/dbraw/zinc/56/86/57/741568657.db2.gz VMZYUUVPISRQOV-UHFFFAOYSA-N 1 2 330.417 0.717 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)ncn3C)C2)nn1 ZINC001105265068 741603507 /nfs/dbraw/zinc/60/35/07/741603507.db2.gz WYAKGHNZUMCKTB-UHFFFAOYSA-N 1 2 327.392 0.130 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[C@@H]3OC)C2)nn1 ZINC001105271089 741615798 /nfs/dbraw/zinc/61/57/98/741615798.db2.gz WBDDFVOEFZJUPJ-HOTGVXAUSA-N 1 2 331.420 0.589 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)COC3CCCCC3)C2)nn1 ZINC001105275154 741620785 /nfs/dbraw/zinc/62/07/85/741620785.db2.gz FHBZKMFTJLLPGK-UHFFFAOYSA-N 1 2 331.420 0.734 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cncc4[nH]ccc43)C2)nn1 ZINC001105278405 741632919 /nfs/dbraw/zinc/63/29/19/741632919.db2.gz BGWJVYGPBIADNU-UHFFFAOYSA-N 1 2 349.398 0.964 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@]34CCC[C@H]3OCC4)C2)nn1 ZINC001105280966 741636734 /nfs/dbraw/zinc/63/67/34/741636734.db2.gz NCFPYHNXIYUANH-AEFFLSMTSA-N 1 2 343.431 0.734 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CC(n2cc(C[NH2+][C@H](CC)C(N)=O)nn2)C1 ZINC001105309795 741718201 /nfs/dbraw/zinc/71/82/01/741718201.db2.gz CIHQZHYZEAEBNQ-SWLSCSKDSA-N 1 2 348.451 0.617 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CC[C@H](C)O3)C2)nn1 ZINC001105317016 741750805 /nfs/dbraw/zinc/75/08/05/741750805.db2.gz DBRWTBFWAKIEDY-XJKSGUPXSA-N 1 2 331.420 0.732 20 30 ECEDLO C=CCCCC(=O)N1CC(n2cc(C[NH2+][C@H](CC)C(N)=O)nn2)C1 ZINC001105317103 741751242 /nfs/dbraw/zinc/75/12/42/741751242.db2.gz ISJLQINYBGALTN-CQSZACIVSA-N 1 2 334.424 0.371 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC[C@@H]3CCCO3)C2)nn1 ZINC001098622223 741776673 /nfs/dbraw/zinc/77/66/73/741776673.db2.gz CXYNWGZHVWRUAD-HOTGVXAUSA-N 1 2 331.420 0.734 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cn(C)nn2)CC1(C)C ZINC000974686401 742002347 /nfs/dbraw/zinc/00/23/47/742002347.db2.gz NLQWBKKOIOBCPK-JKSUJKDBSA-N 1 2 344.463 0.239 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cn(C)nn2)CC1(C)C ZINC000974686401 742002352 /nfs/dbraw/zinc/00/23/52/742002352.db2.gz NLQWBKKOIOBCPK-JKSUJKDBSA-N 1 2 344.463 0.239 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC(n2cc(C[NH2+][C@@H]3CCNC3=O)nn2)C1 ZINC001105335254 742125635 /nfs/dbraw/zinc/12/56/35/742125635.db2.gz VILQYXPYPWYFOI-CQSZACIVSA-N 1 2 346.435 0.242 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)c[nH]1 ZINC000975213384 742610449 /nfs/dbraw/zinc/61/04/49/742610449.db2.gz JRLFLAMZMGRIHM-GFCCVEGCSA-N 1 2 340.387 0.821 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](Cc3cnn(CC)n3)C2)cn1 ZINC001028941572 742936806 /nfs/dbraw/zinc/93/68/06/742936806.db2.gz YJBXKOCPFKKUNA-CQSZACIVSA-N 1 2 338.415 0.926 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](Cc3cnn(CC)n3)C2)cn1 ZINC001028941572 742936807 /nfs/dbraw/zinc/93/68/07/742936807.db2.gz YJBXKOCPFKKUNA-CQSZACIVSA-N 1 2 338.415 0.926 20 30 ECEDLO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CC[NH+](CC(=O)N2CCC2)CC1 ZINC000997022820 743143550 /nfs/dbraw/zinc/14/35/50/743143550.db2.gz MMRSGBQLKARSBZ-CYBMUJFWSA-N 1 2 343.431 0.949 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)COC3CCC(C)CC3)C2)nn1 ZINC001105381133 743446622 /nfs/dbraw/zinc/44/66/22/743446622.db2.gz OUHRUTKEJCBJKE-UHFFFAOYSA-N 1 2 345.447 0.980 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCC[C@@H]3OC)C2)nn1 ZINC001105381318 743458140 /nfs/dbraw/zinc/45/81/40/743458140.db2.gz XHQWQCFDWZEWBT-IRXDYDNUSA-N 1 2 345.447 0.980 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cc[nH+]c2)C3)c1 ZINC000997880271 743867317 /nfs/dbraw/zinc/86/73/17/743867317.db2.gz FUOFJZFHXABIJB-IPYPFGDCSA-N 1 2 338.371 0.645 20 30 ECEDLO Cn1[nH]c(C[N@H+](C)[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)nc1=O ZINC001027354936 743920437 /nfs/dbraw/zinc/92/04/37/743920437.db2.gz NFMQGQRQTPSKSV-GFCCVEGCSA-N 1 2 343.391 0.045 20 30 ECEDLO Cn1[nH]c(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)nc1=O ZINC001027354936 743920440 /nfs/dbraw/zinc/92/04/40/743920440.db2.gz NFMQGQRQTPSKSV-GFCCVEGCSA-N 1 2 343.391 0.045 20 30 ECEDLO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCCS3(=O)=O)C[C@@]2(C)C1 ZINC000982295153 751897021 /nfs/dbraw/zinc/89/70/21/751897021.db2.gz LDERIBOPSGEAIZ-OIISXLGYSA-N 1 2 338.473 0.757 20 30 ECEDLO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCCS3(=O)=O)C[C@@]2(C)C1 ZINC000982295153 751897028 /nfs/dbraw/zinc/89/70/28/751897028.db2.gz LDERIBOPSGEAIZ-OIISXLGYSA-N 1 2 338.473 0.757 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)Cc4[nH]c[nH+]c4C)C[C@H]32)nc1 ZINC000976916604 744475678 /nfs/dbraw/zinc/47/56/78/744475678.db2.gz OVPKSRPPQMCSGB-UOIKSKOESA-N 1 2 349.394 0.524 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(C)c3C3CC3)C2)nn1 ZINC001105382205 744954825 /nfs/dbraw/zinc/95/48/25/744954825.db2.gz BARBIDCSXZJNTI-UHFFFAOYSA-N 1 2 339.403 0.309 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001059183297 745008374 /nfs/dbraw/zinc/00/83/74/745008374.db2.gz ZNCJIAMPSSVNRR-XYPYZODXSA-N 1 2 336.359 0.936 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3sccc3COC)C2)nn1 ZINC001105360669 751979923 /nfs/dbraw/zinc/97/99/23/751979923.db2.gz FIVQZHFEPWHQFK-UHFFFAOYSA-N 1 2 345.428 0.906 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C(C)(C)C1 ZINC000977565663 745209823 /nfs/dbraw/zinc/20/98/23/745209823.db2.gz JTFFYGCWBCFXLW-NSHDSACASA-N 1 2 342.827 0.460 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C(C)(C)C1 ZINC000977565663 745209824 /nfs/dbraw/zinc/20/98/24/745209824.db2.gz JTFFYGCWBCFXLW-NSHDSACASA-N 1 2 342.827 0.460 20 30 ECEDLO CN(C[C@H]1CCN1C(=O)Cc1c[nH+]cn1C)C(=O)c1c[nH]c(C#N)c1 ZINC000977584061 745243377 /nfs/dbraw/zinc/24/33/77/745243377.db2.gz JQNOHEYFZIFMBV-CQSZACIVSA-N 1 2 340.387 0.535 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3nccnc3N)C2)C1=O ZINC001006944337 751994345 /nfs/dbraw/zinc/99/43/45/751994345.db2.gz HFWSPTMFVYRACM-QWHCGFSZSA-N 1 2 344.419 0.040 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3nccnc3N)C2)C1=O ZINC001006944337 751994348 /nfs/dbraw/zinc/99/43/48/751994348.db2.gz HFWSPTMFVYRACM-QWHCGFSZSA-N 1 2 344.419 0.040 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3nonc3C)C(C)(C)C2)C1=O ZINC000977671771 745377917 /nfs/dbraw/zinc/37/79/17/745377917.db2.gz WCNQNAZQWSYNIV-CHWSQXEVSA-N 1 2 347.419 0.605 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3nonc3C)C(C)(C)C2)C1=O ZINC000977671771 745377923 /nfs/dbraw/zinc/37/79/23/745377923.db2.gz WCNQNAZQWSYNIV-CHWSQXEVSA-N 1 2 347.419 0.605 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCS(=O)(=O)CC1 ZINC001029244370 745426755 /nfs/dbraw/zinc/42/67/55/745426755.db2.gz DWMADYUOSHEVBM-YUELXQCFSA-N 1 2 339.461 0.646 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCS(=O)(=O)CC1 ZINC001029244370 745426761 /nfs/dbraw/zinc/42/67/61/745426761.db2.gz DWMADYUOSHEVBM-YUELXQCFSA-N 1 2 339.461 0.646 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@@H]3CCCO3)C2)nn1 ZINC001098626651 745552879 /nfs/dbraw/zinc/55/28/79/745552879.db2.gz XRXYBPAIAVPLPU-HOTGVXAUSA-N 1 2 331.420 0.734 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCC1 ZINC001029311992 745679256 /nfs/dbraw/zinc/67/92/56/745679256.db2.gz LDRYYHUHAWOASI-TWMKSMIVSA-N 1 2 347.459 0.875 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CCC1 ZINC001029311992 745679259 /nfs/dbraw/zinc/67/92/59/745679259.db2.gz LDRYYHUHAWOASI-TWMKSMIVSA-N 1 2 347.459 0.875 20 30 ECEDLO CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000977933538 745691127 /nfs/dbraw/zinc/69/11/27/745691127.db2.gz VEGIMXVPCFRBKR-RBSFLKMASA-N 1 2 326.400 0.986 20 30 ECEDLO CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000977933538 745691130 /nfs/dbraw/zinc/69/11/30/745691130.db2.gz VEGIMXVPCFRBKR-RBSFLKMASA-N 1 2 326.400 0.986 20 30 ECEDLO CCn1ncnc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC000978025795 745790999 /nfs/dbraw/zinc/79/09/99/745790999.db2.gz YJNFOLQBSJJRPI-ZSOGYDGISA-N 1 2 339.403 0.606 20 30 ECEDLO CCn1ncnc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC000978025795 745791004 /nfs/dbraw/zinc/79/10/04/745791004.db2.gz YJNFOLQBSJJRPI-ZSOGYDGISA-N 1 2 339.403 0.606 20 30 ECEDLO Cc1noc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)n1 ZINC000978027826 745828069 /nfs/dbraw/zinc/82/80/69/745828069.db2.gz IJKSPLXOFOYWGT-ZSOGYDGISA-N 1 2 326.360 0.686 20 30 ECEDLO Cc1noc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)n1 ZINC000978027826 745828072 /nfs/dbraw/zinc/82/80/72/745828072.db2.gz IJKSPLXOFOYWGT-ZSOGYDGISA-N 1 2 326.360 0.686 20 30 ECEDLO N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)nn1 ZINC001059336117 745992353 /nfs/dbraw/zinc/99/23/53/745992353.db2.gz JDZBCAXEDAMDKG-MRVWCRGKSA-N 1 2 337.387 0.866 20 30 ECEDLO N#Cc1cnccc1N[C@H]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001059338418 746020158 /nfs/dbraw/zinc/02/01/58/746020158.db2.gz DJBHFYRQASAXCO-QEJZJMRPSA-N 1 2 336.399 0.893 20 30 ECEDLO N#Cc1nccc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)n1 ZINC001059339283 746021704 /nfs/dbraw/zinc/02/17/04/746021704.db2.gz TZICYWGZELYEDP-JHJVBQTASA-N 1 2 337.387 0.288 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H]1CC ZINC001087571185 746072352 /nfs/dbraw/zinc/07/23/52/746072352.db2.gz GVXVVIRVSMCXPQ-WDEREUQCSA-N 1 2 343.229 0.551 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H]1CC ZINC001087571185 746072358 /nfs/dbraw/zinc/07/23/58/746072358.db2.gz GVXVVIRVSMCXPQ-WDEREUQCSA-N 1 2 343.229 0.551 20 30 ECEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2CN(C(C)=O)CCO2)CC1 ZINC001001418456 746358792 /nfs/dbraw/zinc/35/87/92/746358792.db2.gz LGNAGWBHBHMPOY-OAHLLOKOSA-N 1 2 341.839 0.735 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2CN(C(C)=O)CCO2)CC1 ZINC001001418456 746358798 /nfs/dbraw/zinc/35/87/98/746358798.db2.gz LGNAGWBHBHMPOY-OAHLLOKOSA-N 1 2 341.839 0.735 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nn3)[C@@H]2CC)cn1 ZINC001087802886 746364074 /nfs/dbraw/zinc/36/40/74/746364074.db2.gz PRENXZNNDFGPHV-DLBZAZTESA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cn(C)nn3)[C@@H]2CC)cn1 ZINC001087802886 746364080 /nfs/dbraw/zinc/36/40/80/746364080.db2.gz PRENXZNNDFGPHV-DLBZAZTESA-N 1 2 338.415 0.974 20 30 ECEDLO N#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCC[N@@H+]3CC3CCC3)[C@@H]2C1 ZINC000978528175 746407323 /nfs/dbraw/zinc/40/73/23/746407323.db2.gz TYPNUQNQZCZGDZ-WCXIOVBPSA-N 1 2 332.448 0.305 20 30 ECEDLO N#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCC[N@H+]3CC3CCC3)[C@@H]2C1 ZINC000978528175 746407327 /nfs/dbraw/zinc/40/73/27/746407327.db2.gz TYPNUQNQZCZGDZ-WCXIOVBPSA-N 1 2 332.448 0.305 20 30 ECEDLO C[C@H](CC(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1)n1cc[nH+]c1 ZINC001001484852 746423687 /nfs/dbraw/zinc/42/36/87/746423687.db2.gz PNJWPJOTIHMSKN-GFCCVEGCSA-N 1 2 340.387 0.922 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000978700595 746616246 /nfs/dbraw/zinc/61/62/46/746616246.db2.gz ZGMXVTCQEHIOAU-KLPPZKSPSA-N 1 2 326.360 0.477 20 30 ECEDLO C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001020767494 752108259 /nfs/dbraw/zinc/10/82/59/752108259.db2.gz LCBAWRDBYHKNFR-MGCOHNPYSA-N 1 2 336.783 0.061 20 30 ECEDLO CCCn1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2C1 ZINC001087909328 746639303 /nfs/dbraw/zinc/63/93/03/746639303.db2.gz INRLQVMMIRJNLP-MJBXVCDLSA-N 1 2 331.424 0.523 20 30 ECEDLO CCCn1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2C1 ZINC001087909328 746639306 /nfs/dbraw/zinc/63/93/06/746639306.db2.gz INRLQVMMIRJNLP-MJBXVCDLSA-N 1 2 331.424 0.523 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000978729373 746640906 /nfs/dbraw/zinc/64/09/06/746640906.db2.gz QPKHPNHBCSGMAX-BJHJDKERSA-N 1 2 340.387 0.487 20 30 ECEDLO Cc1cc(NC(=O)C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]3C2)no1 ZINC001087911338 746645409 /nfs/dbraw/zinc/64/54/09/746645409.db2.gz RIDIJGYYNORTLL-BNOWGMLFSA-N 1 2 345.403 0.862 20 30 ECEDLO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]3C2)no1 ZINC001087911338 746645414 /nfs/dbraw/zinc/64/54/14/746645414.db2.gz RIDIJGYYNORTLL-BNOWGMLFSA-N 1 2 345.403 0.862 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](C)C(=O)N(C)C)c1 ZINC001029466731 746699059 /nfs/dbraw/zinc/69/90/59/746699059.db2.gz KDOCTEKOWPTEQJ-RRQGHBQHSA-N 1 2 340.427 0.828 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)C(=O)N(C)C)c1 ZINC001029466731 746699064 /nfs/dbraw/zinc/69/90/64/746699064.db2.gz KDOCTEKOWPTEQJ-RRQGHBQHSA-N 1 2 340.427 0.828 20 30 ECEDLO C#Cc1cncc(C(=O)NCC2CC[NH+](Cc3cnn(C)n3)CC2)c1 ZINC001001812659 746740963 /nfs/dbraw/zinc/74/09/63/746740963.db2.gz OVWPMTIASZQCMT-UHFFFAOYSA-N 1 2 338.415 0.833 20 30 ECEDLO CCn1ncnc1C[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 ZINC001087962340 746750219 /nfs/dbraw/zinc/75/02/19/746750219.db2.gz KGWHJKLKPUBKKC-CVEARBPZSA-N 1 2 327.432 0.992 20 30 ECEDLO CCn1ncnc1C[N@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 ZINC001087962340 746750224 /nfs/dbraw/zinc/75/02/24/746750224.db2.gz KGWHJKLKPUBKKC-CVEARBPZSA-N 1 2 327.432 0.992 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)Cc3cccs3)[C@@H](O)C2)C1=O ZINC001083311838 747440490 /nfs/dbraw/zinc/44/04/90/747440490.db2.gz JNIBYOPTTOWFIH-KFWWJZLASA-N 1 2 349.456 0.239 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)Cc3cccs3)[C@@H](O)C2)C1=O ZINC001083311838 747440494 /nfs/dbraw/zinc/44/04/94/747440494.db2.gz JNIBYOPTTOWFIH-KFWWJZLASA-N 1 2 349.456 0.239 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](C)C(=O)N(C)C)nc1 ZINC001029558062 747492621 /nfs/dbraw/zinc/49/26/21/747492621.db2.gz CTLQIILOOCTSTG-CWRNSKLLSA-N 1 2 340.427 0.828 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)C(=O)N(C)C)nc1 ZINC001029558062 747492626 /nfs/dbraw/zinc/49/26/26/747492626.db2.gz CTLQIILOOCTSTG-CWRNSKLLSA-N 1 2 340.427 0.828 20 30 ECEDLO Cc1noc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)n1 ZINC000979291537 747525013 /nfs/dbraw/zinc/52/50/13/747525013.db2.gz KGQUFGVUEHVFOX-IINYFYTJSA-N 1 2 344.375 0.597 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)COc3cccnc3)C2)nn1 ZINC001105342767 747592296 /nfs/dbraw/zinc/59/22/96/747592296.db2.gz VOHGOHDPABNAJB-UHFFFAOYSA-N 1 2 340.387 0.248 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2c[nH]c[nH+]2)nc1 ZINC000979514434 747972662 /nfs/dbraw/zinc/97/26/62/747972662.db2.gz CCAGNJOJJCZGLB-HALDLXJZSA-N 1 2 335.367 0.215 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccn4ccnc34)C2)nn1 ZINC001105344208 748287429 /nfs/dbraw/zinc/28/74/29/748287429.db2.gz RXGYYWZFQUADPK-UHFFFAOYSA-N 1 2 349.398 0.736 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001059554178 748301497 /nfs/dbraw/zinc/30/14/97/748301497.db2.gz CPDCWLYRGKXFMP-WMLDXEAASA-N 1 2 334.420 0.565 20 30 ECEDLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[C@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 ZINC000979823295 748470001 /nfs/dbraw/zinc/47/00/01/748470001.db2.gz NCNUZEJKYJOLBG-SOUVJXGZSA-N 1 2 326.400 0.719 20 30 ECEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2c[nH]nc2S(N)(=O)=O)CC1 ZINC001003600356 748717421 /nfs/dbraw/zinc/71/74/21/748717421.db2.gz ZXWOCZKDBNFZPG-UHFFFAOYSA-N 1 2 347.828 0.004 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NCC[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001059623169 748863350 /nfs/dbraw/zinc/86/33/50/748863350.db2.gz YYNARJQFAOMDRY-HNNXBMFYSA-N 1 2 328.416 0.731 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C3CCCCC3)[C@@H](O)C2)C1=O ZINC001083316756 748940280 /nfs/dbraw/zinc/94/02/80/748940280.db2.gz RJFQFXHQYTXACE-OAGGEKHMSA-N 1 2 335.448 0.515 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C3CCCCC3)[C@@H](O)C2)C1=O ZINC001083316756 748940285 /nfs/dbraw/zinc/94/02/85/748940285.db2.gz RJFQFXHQYTXACE-OAGGEKHMSA-N 1 2 335.448 0.515 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC000980083039 748952307 /nfs/dbraw/zinc/95/23/07/748952307.db2.gz XZBXRQCZISUSOB-HDJSIYSDSA-N 1 2 337.383 0.653 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC[C@@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001059648492 749108624 /nfs/dbraw/zinc/10/86/24/749108624.db2.gz UAWFPZVLUJTZGR-UONOGXRCSA-N 1 2 332.404 0.345 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC[C@@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001059648409 749114536 /nfs/dbraw/zinc/11/45/36/749114536.db2.gz RLSKTVHJCMSSJL-LSDHHAIUSA-N 1 2 346.431 0.735 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC[C@@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001059648409 749114541 /nfs/dbraw/zinc/11/45/41/749114541.db2.gz RLSKTVHJCMSSJL-LSDHHAIUSA-N 1 2 346.431 0.735 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1cn(C)nn1 ZINC001027891463 749160019 /nfs/dbraw/zinc/16/00/19/749160019.db2.gz XZDHFLBOZZUCPS-OAGGEKHMSA-N 1 2 333.436 0.877 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cn(C)nn1 ZINC001027891463 749160023 /nfs/dbraw/zinc/16/00/23/749160023.db2.gz XZDHFLBOZZUCPS-OAGGEKHMSA-N 1 2 333.436 0.877 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3cccn3C)CC2)CC1 ZINC000985821750 749173515 /nfs/dbraw/zinc/17/35/15/749173515.db2.gz DKRGWFYYOHZADG-UHFFFAOYSA-N 1 2 345.447 0.707 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001013930817 761928829 /nfs/dbraw/zinc/92/88/29/761928829.db2.gz YFDJIDCBUQIAOT-CMPLNLGQSA-N 1 2 326.360 0.571 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001027916193 749369598 /nfs/dbraw/zinc/36/95/98/749369598.db2.gz FYXPPWPTRXSNLV-KBPBESRZSA-N 1 2 343.855 0.814 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001027916193 749369607 /nfs/dbraw/zinc/36/96/07/749369607.db2.gz FYXPPWPTRXSNLV-KBPBESRZSA-N 1 2 343.855 0.814 20 30 ECEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001027918716 749408753 /nfs/dbraw/zinc/40/87/53/749408753.db2.gz RWHPPPHZHPOMGY-VXGBXAGGSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001027918716 749408756 /nfs/dbraw/zinc/40/87/56/749408756.db2.gz RWHPPPHZHPOMGY-VXGBXAGGSA-N 1 2 344.253 0.954 20 30 ECEDLO Cn1cc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)ncc1=O ZINC001004490409 749563430 /nfs/dbraw/zinc/56/34/30/749563430.db2.gz RCNOWFBFHCIPNM-OAHLLOKOSA-N 1 2 329.404 0.620 20 30 ECEDLO Cn1cc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)ncc1=O ZINC001004490409 749563432 /nfs/dbraw/zinc/56/34/32/749563432.db2.gz RCNOWFBFHCIPNM-OAHLLOKOSA-N 1 2 329.404 0.620 20 30 ECEDLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004542695 749607143 /nfs/dbraw/zinc/60/71/43/749607143.db2.gz NDYVTELSJLBHHG-OWCLPIDISA-N 1 2 332.448 0.937 20 30 ECEDLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004542695 749607150 /nfs/dbraw/zinc/60/71/50/749607150.db2.gz NDYVTELSJLBHHG-OWCLPIDISA-N 1 2 332.448 0.937 20 30 ECEDLO Cn1ncc(CCC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)n1 ZINC001004546609 749607825 /nfs/dbraw/zinc/60/78/25/749607825.db2.gz JKWOGYPEDUVGAF-INIZCTEOSA-N 1 2 330.436 0.974 20 30 ECEDLO Cn1ncc(CCC(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)n1 ZINC001004546609 749607829 /nfs/dbraw/zinc/60/78/29/749607829.db2.gz JKWOGYPEDUVGAF-INIZCTEOSA-N 1 2 330.436 0.974 20 30 ECEDLO Cn1cc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)c(=O)[nH]c1=O ZINC001004619191 749695936 /nfs/dbraw/zinc/69/59/36/749695936.db2.gz AJINTGIYFGQTSF-AWEZNQCLSA-N 1 2 345.403 0.326 20 30 ECEDLO Cn1cc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)c(=O)[nH]c1=O ZINC001004619191 749695938 /nfs/dbraw/zinc/69/59/38/749695938.db2.gz AJINTGIYFGQTSF-AWEZNQCLSA-N 1 2 345.403 0.326 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3cncnc3C)CC2)C1=O ZINC000980758908 750118539 /nfs/dbraw/zinc/11/85/39/750118539.db2.gz HZFJZHRAMNCDNF-MRXNPFEDSA-N 1 2 343.431 0.720 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3cncnc3C)CC2)C1=O ZINC000980758908 750118546 /nfs/dbraw/zinc/11/85/46/750118546.db2.gz HZFJZHRAMNCDNF-MRXNPFEDSA-N 1 2 343.431 0.720 20 30 ECEDLO Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)CSCC#N)C2)nn1 ZINC001111599715 762009666 /nfs/dbraw/zinc/00/96/66/762009666.db2.gz CNPOGQXUMRJQBP-WFASDCNBSA-N 1 2 334.449 0.543 20 30 ECEDLO Cn1cc(C[N@H+]2C[C@@H]3CCC[C@]3(NC(=O)CSCC#N)C2)nn1 ZINC001111599715 762009677 /nfs/dbraw/zinc/00/96/77/762009677.db2.gz CNPOGQXUMRJQBP-WFASDCNBSA-N 1 2 334.449 0.543 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001027979279 750156152 /nfs/dbraw/zinc/15/61/52/750156152.db2.gz XGOATKATUKAFGP-NWDGAFQWSA-N 1 2 339.827 0.879 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001027979279 750156157 /nfs/dbraw/zinc/15/61/57/750156157.db2.gz XGOATKATUKAFGP-NWDGAFQWSA-N 1 2 339.827 0.879 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1CC[NH+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC001005261923 750433207 /nfs/dbraw/zinc/43/32/07/750433207.db2.gz WYWFLNJNYQZQEC-UHFFFAOYSA-N 1 2 343.391 0.045 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H](C)COC)C2)nn1 ZINC001105354151 750479766 /nfs/dbraw/zinc/47/97/66/750479766.db2.gz CDHVTRTZKJNPQN-CQSZACIVSA-N 1 2 349.435 0.073 20 30 ECEDLO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001005949506 750838191 /nfs/dbraw/zinc/83/81/91/750838191.db2.gz WLRLNJNFECIXSG-LBPRGKRZSA-N 1 2 340.387 0.750 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCO[C@H](CC)C3)C2)nn1 ZINC001105357818 751003691 /nfs/dbraw/zinc/00/36/91/751003691.db2.gz KRFCCAJAOWMPHP-RHSMWYFYSA-N 1 2 345.447 0.980 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001059830679 751166369 /nfs/dbraw/zinc/16/63/69/751166369.db2.gz HJEGISIHZLSVGH-KGLIPLIRSA-N 1 2 334.420 0.898 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3coc(C4CCC4)n3)C2)nn1 ZINC001105358268 751169787 /nfs/dbraw/zinc/16/97/87/751169787.db2.gz VHLFFDOSDUTGJF-UHFFFAOYSA-N 1 2 340.387 0.954 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1COCCN1C(C)=O ZINC001028327111 752388162 /nfs/dbraw/zinc/38/81/62/752388162.db2.gz SXNIGLPGHFRKRL-ZIAGYGMSSA-N 1 2 329.828 0.567 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1COCCN1C(C)=O ZINC001028327111 752388166 /nfs/dbraw/zinc/38/81/66/752388166.db2.gz SXNIGLPGHFRKRL-ZIAGYGMSSA-N 1 2 329.828 0.567 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001007448774 752393649 /nfs/dbraw/zinc/39/36/49/752393649.db2.gz SANRZQZZBJXECH-UONOGXRCSA-N 1 2 343.855 0.814 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001007448774 752393657 /nfs/dbraw/zinc/39/36/57/752393657.db2.gz SANRZQZZBJXECH-UONOGXRCSA-N 1 2 343.855 0.814 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)(C)CC)C[C@H]1OC ZINC001212032031 752429022 /nfs/dbraw/zinc/42/90/22/752429022.db2.gz GKVVYVZWNRGEGN-ZIAGYGMSSA-N 1 2 341.452 0.309 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)(C)CC)C[C@H]1OC ZINC001212032031 752429027 /nfs/dbraw/zinc/42/90/27/752429027.db2.gz GKVVYVZWNRGEGN-ZIAGYGMSSA-N 1 2 341.452 0.309 20 30 ECEDLO COCC(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2OC)C[C@H]1OC ZINC001211747971 752430717 /nfs/dbraw/zinc/43/07/17/752430717.db2.gz HJBKUMYOYFVNFR-GDBMZVCRSA-N 1 2 333.388 0.529 20 30 ECEDLO COCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2OC)C[C@H]1OC ZINC001211747971 752430720 /nfs/dbraw/zinc/43/07/20/752430720.db2.gz HJBKUMYOYFVNFR-GDBMZVCRSA-N 1 2 333.388 0.529 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCCN(C)C(C)=O)C2)nn1 ZINC001105368003 752466843 /nfs/dbraw/zinc/46/68/43/752466843.db2.gz MCFZGYCNRSLEPN-UHFFFAOYSA-N 1 2 346.435 0.033 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C3(CC=C)CCOCC3)C2)nn1 ZINC001105368485 752470417 /nfs/dbraw/zinc/47/04/17/752470417.db2.gz YXWISAYHNVPZIU-UHFFFAOYSA-N 1 2 343.431 0.757 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)nc1 ZINC000988774774 752756239 /nfs/dbraw/zinc/75/62/39/752756239.db2.gz IMCSQIZVCMNUMN-HIFRSBDPSA-N 1 2 337.383 0.679 20 30 ECEDLO N#Cc1cncc(N[C@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)n1 ZINC001058995507 752796296 /nfs/dbraw/zinc/79/62/96/752796296.db2.gz JLJKZKPHXQXICM-STQMWFEESA-N 1 2 337.387 0.820 20 30 ECEDLO N#Cc1nccc(N[C@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)n1 ZINC001058995327 752805870 /nfs/dbraw/zinc/80/58/70/752805870.db2.gz APPNAGWSPZQUIV-STQMWFEESA-N 1 2 337.387 0.242 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001007705984 752829665 /nfs/dbraw/zinc/82/96/65/752829665.db2.gz MIBPBXSPWITYOW-GOSISDBHSA-N 1 2 346.431 0.994 20 30 ECEDLO C[C@H](c1nnnn1C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001028487094 752831961 /nfs/dbraw/zinc/83/19/61/752831961.db2.gz QAMGPJKJRCSMGU-GHMZBOCLSA-N 1 2 328.380 0.223 20 30 ECEDLO C[C@H](c1nnnn1C)[N@H+]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001028487094 752831968 /nfs/dbraw/zinc/83/19/68/752831968.db2.gz QAMGPJKJRCSMGU-GHMZBOCLSA-N 1 2 328.380 0.223 20 30 ECEDLO CCc1nnc(C[N@@H+]2CC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1C ZINC001028491127 752834228 /nfs/dbraw/zinc/83/42/28/752834228.db2.gz SHVBVAYHOSSMDU-LBPRGKRZSA-N 1 2 341.419 0.829 20 30 ECEDLO CCc1nnc(C[N@H+]2CC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1C ZINC001028491127 752834234 /nfs/dbraw/zinc/83/42/34/752834234.db2.gz SHVBVAYHOSSMDU-LBPRGKRZSA-N 1 2 341.419 0.829 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](O)C2)C1 ZINC000991616941 762175911 /nfs/dbraw/zinc/17/59/11/762175911.db2.gz VDBNPNKATRYFPB-CABCVRRESA-N 1 2 346.431 0.397 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1nc([C@@H](C)OCC)no1 ZINC001126377960 753035899 /nfs/dbraw/zinc/03/58/99/753035899.db2.gz HCLALRNHVHVKBH-ABAIWWIYSA-N 1 2 326.397 0.700 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1nc([C@@H](C)OCC)no1 ZINC001126377961 753036034 /nfs/dbraw/zinc/03/60/34/753036034.db2.gz HCLALRNHVHVKBH-IAQYHMDHSA-N 1 2 326.397 0.700 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)Oc3ccccc3)C2)nn1 ZINC001105369854 753046881 /nfs/dbraw/zinc/04/68/81/753046881.db2.gz NSRHLNKBMWOAPF-CQSZACIVSA-N 1 2 339.399 0.852 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2nncn2C)C1 ZINC001028548641 753109366 /nfs/dbraw/zinc/10/93/66/753109366.db2.gz CZGLIHVZRRQEGR-ZNMIVQPWSA-N 1 2 333.436 0.734 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2nncn2C)C1 ZINC001028548641 753109370 /nfs/dbraw/zinc/10/93/70/753109370.db2.gz CZGLIHVZRRQEGR-ZNMIVQPWSA-N 1 2 333.436 0.734 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2nnnn2C)C1 ZINC001028549465 753111668 /nfs/dbraw/zinc/11/16/68/753111668.db2.gz QWIMIYAXQRWDKJ-MJBXVCDLSA-N 1 2 334.424 0.129 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2nnnn2C)C1 ZINC001028549465 753111673 /nfs/dbraw/zinc/11/16/73/753111673.db2.gz QWIMIYAXQRWDKJ-MJBXVCDLSA-N 1 2 334.424 0.129 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2nc(C3CCC3)no2)C1 ZINC001051495176 762207670 /nfs/dbraw/zinc/20/76/70/762207670.db2.gz RMVDJNGZFBNZGC-YPMHNXCESA-N 1 2 333.392 0.814 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(COC)cc3)C2)nn1 ZINC001105371281 753474258 /nfs/dbraw/zinc/47/42/58/753474258.db2.gz KXJQBNDZDGFPPD-UHFFFAOYSA-N 1 2 339.399 0.844 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)noc3CC)C2)nn1 ZINC001105371405 753514751 /nfs/dbraw/zinc/51/47/51/753514751.db2.gz NNDQLHZIVYALHC-UHFFFAOYSA-N 1 2 342.403 0.947 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3cnc(C)o3)C2)nn1 ZINC001098680787 753585967 /nfs/dbraw/zinc/58/59/67/753585967.db2.gz KEZKXATZHFETIN-CQSZACIVSA-N 1 2 328.376 0.313 20 30 ECEDLO C=C(C)CCC(=O)N1CC[C@@H](n2cc(C[NH2+]CC(=O)NCC)nn2)C1 ZINC001098681136 753612962 /nfs/dbraw/zinc/61/29/62/753612962.db2.gz OMAJNLGAAXOURE-OAHLLOKOSA-N 1 2 348.451 0.634 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3cnc(C)o3)C2)nn1 ZINC001098681446 753629085 /nfs/dbraw/zinc/62/90/85/753629085.db2.gz SYNGNKRAIVJSAG-HNNXBMFYSA-N 1 2 342.403 0.704 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)n(C)n1 ZINC001083357849 753665975 /nfs/dbraw/zinc/66/59/75/753665975.db2.gz JESMHYLKSNFXRY-AEFFLSMTSA-N 1 2 338.411 0.555 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)n(C)n1 ZINC001083357849 753665981 /nfs/dbraw/zinc/66/59/81/753665981.db2.gz JESMHYLKSNFXRY-AEFFLSMTSA-N 1 2 338.411 0.555 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C=C3CCCCC3)[C@@H](O)C2)C1=O ZINC001083361916 753680057 /nfs/dbraw/zinc/68/00/57/753680057.db2.gz LKWLLGPLRCBBQM-ZACQAIPSSA-N 1 2 347.459 0.825 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C=C3CCCCC3)[C@@H](O)C2)C1=O ZINC001083361916 753680065 /nfs/dbraw/zinc/68/00/65/753680065.db2.gz LKWLLGPLRCBBQM-ZACQAIPSSA-N 1 2 347.459 0.825 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](NC(=O)c2ccc[nH]2)[C@H](OC)C1 ZINC001211835731 753712808 /nfs/dbraw/zinc/71/28/08/753712808.db2.gz KKIRVUUGZBRSQK-HUUCEWRRSA-N 1 2 347.419 0.206 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](NC(=O)c2ccc[nH]2)[C@H](OC)C1 ZINC001211835731 753712811 /nfs/dbraw/zinc/71/28/11/753712811.db2.gz KKIRVUUGZBRSQK-HUUCEWRRSA-N 1 2 347.419 0.206 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC[C@@H]3CCOC3)C2)nn1 ZINC001098649905 753714127 /nfs/dbraw/zinc/71/41/27/753714127.db2.gz WIOIAURPDYNVED-WBVHZDCISA-N 1 2 345.447 0.981 20 30 ECEDLO C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001059971918 753730188 /nfs/dbraw/zinc/73/01/88/753730188.db2.gz GSDXLHSVYPFATQ-CQSZACIVSA-N 1 2 334.420 0.520 20 30 ECEDLO CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001105564476 753825720 /nfs/dbraw/zinc/82/57/20/753825720.db2.gz DIUOLKOKLSOHPZ-ZIAGYGMSSA-N 1 2 339.403 0.780 20 30 ECEDLO COCCN(CCNC(=O)Cc1[nH]c[nH+]c1C)c1ccc(C#N)cn1 ZINC001126394231 753925425 /nfs/dbraw/zinc/92/54/25/753925425.db2.gz AHDHITAXVBCVEP-UHFFFAOYSA-N 1 2 342.403 0.797 20 30 ECEDLO COCCN(CCNC(=O)Cc1[nH]cc[nH+]1)c1ccc(C#N)c(C)n1 ZINC001126394229 753925518 /nfs/dbraw/zinc/92/55/18/753925518.db2.gz AFJFRENHGQHFPT-UHFFFAOYSA-N 1 2 342.403 0.797 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3cn(CC)cn3)CC2)C1=O ZINC000989495958 754032712 /nfs/dbraw/zinc/03/27/12/754032712.db2.gz CIIRHTLPPKYLRM-INIZCTEOSA-N 1 2 345.447 0.838 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3cn(CC)cn3)CC2)C1=O ZINC000989495958 754032718 /nfs/dbraw/zinc/03/27/18/754032718.db2.gz CIIRHTLPPKYLRM-INIZCTEOSA-N 1 2 345.447 0.838 20 30 ECEDLO C=CCCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3nnc(C)o3)C[C@H]2C)nn1 ZINC000989544668 754093784 /nfs/dbraw/zinc/09/37/84/754093784.db2.gz VLTCXDRYQQHNTH-YPMHNXCESA-N 1 2 345.407 0.938 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)c1 ZINC000982891853 754105501 /nfs/dbraw/zinc/10/55/01/754105501.db2.gz COZKHLONVIPADW-LBPRGKRZSA-N 1 2 340.387 0.821 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)c1 ZINC000982891853 754105506 /nfs/dbraw/zinc/10/55/06/754105506.db2.gz COZKHLONVIPADW-LBPRGKRZSA-N 1 2 340.387 0.821 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)[nH]1 ZINC000982893408 754112832 /nfs/dbraw/zinc/11/28/32/754112832.db2.gz LCDYTXWITMRUNK-GFCCVEGCSA-N 1 2 340.387 0.821 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)[nH]1 ZINC000982893408 754112836 /nfs/dbraw/zinc/11/28/36/754112836.db2.gz LCDYTXWITMRUNK-GFCCVEGCSA-N 1 2 340.387 0.821 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N(C)C)C2)cc1 ZINC001008786908 754117709 /nfs/dbraw/zinc/11/77/09/754117709.db2.gz DXMSAOKSZBGGAI-MRXNPFEDSA-N 1 2 343.427 0.981 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N(C)C)C2)cc1 ZINC001008786908 754117711 /nfs/dbraw/zinc/11/77/11/754117711.db2.gz DXMSAOKSZBGGAI-MRXNPFEDSA-N 1 2 343.427 0.981 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CCC[N@@H+]([C@H](C)C(=O)NC)C2)nn1 ZINC001008824089 754162166 /nfs/dbraw/zinc/16/21/66/754162166.db2.gz KEJPYMAXXASTPB-OLZOCXBDSA-N 1 2 334.424 0.183 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@H](C)C(=O)NC)C2)nn1 ZINC001008824089 754162172 /nfs/dbraw/zinc/16/21/72/754162172.db2.gz KEJPYMAXXASTPB-OLZOCXBDSA-N 1 2 334.424 0.183 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000982935953 754230089 /nfs/dbraw/zinc/23/00/89/754230089.db2.gz SMGLJYVWBSAVQH-XHSDSOJGSA-N 1 2 346.431 0.829 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)c1 ZINC000982932070 754230469 /nfs/dbraw/zinc/23/04/69/754230469.db2.gz ASCJBMBDHBHYBN-GFCCVEGCSA-N 1 2 326.360 0.361 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3nonc3C)CC2)C1=O ZINC000989793023 754453000 /nfs/dbraw/zinc/45/30/00/754453000.db2.gz HFWVVIXRURHYHG-ZDUSSCGKSA-N 1 2 333.392 0.313 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3nonc3C)CC2)C1=O ZINC000989793023 754453003 /nfs/dbraw/zinc/45/30/03/754453003.db2.gz HFWVVIXRURHYHG-ZDUSSCGKSA-N 1 2 333.392 0.313 20 30 ECEDLO C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1)c1csnn1 ZINC001051554388 762328877 /nfs/dbraw/zinc/32/88/77/762328877.db2.gz DMHGXAKSFQMFSN-CMPLNLGQSA-N 1 2 346.416 0.930 20 30 ECEDLO Cn1ncc(C[N@@H+]2CC[C@@]3(NC(=O)c4ccc(C#N)[nH]4)CCC[C@@H]23)n1 ZINC000990249600 754876695 /nfs/dbraw/zinc/87/66/95/754876695.db2.gz FQBSUBWQEGUVHN-WBVHZDCISA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1ncc(C[N@H+]2CC[C@@]3(NC(=O)c4ccc(C#N)[nH]4)CCC[C@@H]23)n1 ZINC000990249600 754876697 /nfs/dbraw/zinc/87/66/97/754876697.db2.gz FQBSUBWQEGUVHN-WBVHZDCISA-N 1 2 339.403 0.942 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2nnnn2CCC)C1 ZINC001028813011 755207627 /nfs/dbraw/zinc/20/76/27/755207627.db2.gz RPNZXZJEFAECGB-ZNMIVQPWSA-N 1 2 348.451 0.612 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2nnnn2CCC)C1 ZINC001028813011 755207632 /nfs/dbraw/zinc/20/76/32/755207632.db2.gz RPNZXZJEFAECGB-ZNMIVQPWSA-N 1 2 348.451 0.612 20 30 ECEDLO N#Cc1nccnc1NC[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001060038698 755263133 /nfs/dbraw/zinc/26/31/33/755263133.db2.gz GYRSXBFFRDUXEG-ZDUSSCGKSA-N 1 2 325.376 0.895 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)C[C@H]3CCCO3)C2)nn1 ZINC001105379286 755280804 /nfs/dbraw/zinc/28/08/04/755280804.db2.gz TXSSCBWXFOJMQN-CZUORRHYSA-N 1 2 331.420 0.589 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3nc(CC)no3)C2)nn1 ZINC001028852676 755311077 /nfs/dbraw/zinc/31/10/77/755311077.db2.gz LZGFQKDRMZCLPF-LBPRGKRZSA-N 1 2 345.407 0.661 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3nc(CC)no3)C2)nn1 ZINC001028852676 755311082 /nfs/dbraw/zinc/31/10/82/755311082.db2.gz LZGFQKDRMZCLPF-LBPRGKRZSA-N 1 2 345.407 0.661 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)[C@@H]2C)cc1 ZINC001088787284 755666946 /nfs/dbraw/zinc/66/69/46/755666946.db2.gz ARVYFTXITXMVOH-DOMZBBRYSA-N 1 2 339.399 0.483 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)[C@@H]2C)cc1 ZINC001088787284 755666949 /nfs/dbraw/zinc/66/69/49/755666949.db2.gz ARVYFTXITXMVOH-DOMZBBRYSA-N 1 2 339.399 0.483 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@@H]3COC(=O)C3)C2)nn1 ZINC001098657236 755703690 /nfs/dbraw/zinc/70/36/90/755703690.db2.gz UFPXUWDJYGSYOH-DZGCQCFKSA-N 1 2 345.403 0.118 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088800651 755735683 /nfs/dbraw/zinc/73/56/83/755735683.db2.gz MCIWBNLZYZGQRA-RISCZKNCSA-N 1 2 325.376 0.475 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1Cc1ccccc1C#N ZINC001088800651 755735688 /nfs/dbraw/zinc/73/56/88/755735688.db2.gz MCIWBNLZYZGQRA-RISCZKNCSA-N 1 2 325.376 0.475 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CO[C@H](C)CC)C2)nn1 ZINC001098659432 755821471 /nfs/dbraw/zinc/82/14/71/755821471.db2.gz PCMCOTHBQUPOPJ-GDBMZVCRSA-N 1 2 333.436 0.980 20 30 ECEDLO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3COCCO3)C2)ccc1F ZINC001010249985 755881978 /nfs/dbraw/zinc/88/19/78/755881978.db2.gz DPLAWOBIVCUKHJ-GOEBONIOSA-N 1 2 333.363 0.803 20 30 ECEDLO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3COCCO3)C2)ccc1F ZINC001010249985 755881981 /nfs/dbraw/zinc/88/19/81/755881981.db2.gz DPLAWOBIVCUKHJ-GOEBONIOSA-N 1 2 333.363 0.803 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@@H]1O ZINC001083525951 755916480 /nfs/dbraw/zinc/91/64/80/755916480.db2.gz UWHVCQWEYXGMLC-ZBFHGGJFSA-N 1 2 329.404 0.383 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccccc2F)C[C@@H]1O ZINC001083535466 755972720 /nfs/dbraw/zinc/97/27/20/755972720.db2.gz SCOKSVMTJORIQV-SQNIBIBYSA-N 1 2 345.418 0.585 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccccc2F)C[C@@H]1O ZINC001083535466 755972726 /nfs/dbraw/zinc/97/27/26/755972726.db2.gz SCOKSVMTJORIQV-SQNIBIBYSA-N 1 2 345.418 0.585 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC=C(Cl)Cl)C[C@@H]1O ZINC001083535670 755974970 /nfs/dbraw/zinc/97/49/70/755974970.db2.gz FIFGRMYNLIIYBK-AGIUHOORSA-N 1 2 346.258 0.564 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC=C(Cl)Cl)C[C@@H]1O ZINC001083535670 755974972 /nfs/dbraw/zinc/97/49/72/755974972.db2.gz FIFGRMYNLIIYBK-AGIUHOORSA-N 1 2 346.258 0.564 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)[C@@H](O)C1 ZINC001083535622 755975146 /nfs/dbraw/zinc/97/51/46/755975146.db2.gz BCLOAQVYJKUYML-BDXSIMOUSA-N 1 2 328.412 0.949 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)[C@@H](O)C1 ZINC001083535622 755975148 /nfs/dbraw/zinc/97/51/48/755975148.db2.gz BCLOAQVYJKUYML-BDXSIMOUSA-N 1 2 328.412 0.949 20 30 ECEDLO C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001010634211 756330660 /nfs/dbraw/zinc/33/06/60/756330660.db2.gz AOFAPNTZMUOQRL-HIFRSBDPSA-N 1 2 343.431 0.949 20 30 ECEDLO C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001010634211 756330667 /nfs/dbraw/zinc/33/06/67/756330667.db2.gz AOFAPNTZMUOQRL-HIFRSBDPSA-N 1 2 343.431 0.949 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CCCC3)C2)[nH]1 ZINC001010642758 756341716 /nfs/dbraw/zinc/34/17/16/756341716.db2.gz JZCLHDAHRJQJFX-AWEZNQCLSA-N 1 2 329.404 0.749 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CCCC3)C2)[nH]1 ZINC001010642758 756341721 /nfs/dbraw/zinc/34/17/21/756341721.db2.gz JZCLHDAHRJQJFX-AWEZNQCLSA-N 1 2 329.404 0.749 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CN3CCOCC3)C2)c(F)c1 ZINC001010667581 756372756 /nfs/dbraw/zinc/37/27/56/756372756.db2.gz IIKLPTQRRUGYMN-INIZCTEOSA-N 1 2 346.406 0.720 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CN3CCOCC3)C2)c(F)c1 ZINC001010667581 756372763 /nfs/dbraw/zinc/37/27/63/756372763.db2.gz IIKLPTQRRUGYMN-INIZCTEOSA-N 1 2 346.406 0.720 20 30 ECEDLO CCn1nnc(C)c1C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001010694332 756408087 /nfs/dbraw/zinc/40/80/87/756408087.db2.gz ZWDPOCLRWIBSPL-ZDUSSCGKSA-N 1 2 327.392 0.811 20 30 ECEDLO CCn1nnc(C)c1C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001010694332 756408092 /nfs/dbraw/zinc/40/80/92/756408092.db2.gz ZWDPOCLRWIBSPL-ZDUSSCGKSA-N 1 2 327.392 0.811 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3coc(CC)n3)C2)C1=O ZINC001010700519 756416869 /nfs/dbraw/zinc/41/68/69/756416869.db2.gz NXPVYQFNMHDETJ-GXTWGEPZSA-N 1 2 332.404 0.828 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3coc(CC)n3)C2)C1=O ZINC001010700519 756416873 /nfs/dbraw/zinc/41/68/73/756416873.db2.gz NXPVYQFNMHDETJ-GXTWGEPZSA-N 1 2 332.404 0.828 20 30 ECEDLO C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001076431728 756500751 /nfs/dbraw/zinc/50/07/51/756500751.db2.gz MSPMCZFWXOIBAZ-KSSFIOAISA-N 1 2 347.459 0.522 20 30 ECEDLO Cn1oc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)cc1=O ZINC001010775250 756506860 /nfs/dbraw/zinc/50/68/60/756506860.db2.gz WUHPOEXBBYGYGD-HNNXBMFYSA-N 1 2 343.358 0.973 20 30 ECEDLO Cn1oc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)cc1=O ZINC001010775250 756506865 /nfs/dbraw/zinc/50/68/65/756506865.db2.gz WUHPOEXBBYGYGD-HNNXBMFYSA-N 1 2 343.358 0.973 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[C@@H](n2cc(C[NH2+]CC#CC)nn2)C1 ZINC001098664039 756659791 /nfs/dbraw/zinc/65/97/91/756659791.db2.gz KYNOWXSCCGGECC-WBVHZDCISA-N 1 2 331.420 0.492 20 30 ECEDLO N#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)[nH]1 ZINC000990894661 756742338 /nfs/dbraw/zinc/74/23/38/756742338.db2.gz YHCCTKHKOMULSF-LLVKDONJSA-N 1 2 338.371 0.286 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001076712255 756903628 /nfs/dbraw/zinc/90/36/28/756903628.db2.gz WGLIKYNYLBOCNM-KBPBESRZSA-N 1 2 334.420 0.639 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001076712255 756903629 /nfs/dbraw/zinc/90/36/29/756903629.db2.gz WGLIKYNYLBOCNM-KBPBESRZSA-N 1 2 334.420 0.639 20 30 ECEDLO CCCCOCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)C#N)nn2)C1 ZINC001107150052 757053823 /nfs/dbraw/zinc/05/38/23/757053823.db2.gz ZLPSDPCWAJWOLG-CYBMUJFWSA-N 1 2 334.424 0.727 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@@H]2C[N@@H+](Cc3nnnn3C3CC3)C[C@@H]2C1 ZINC001048810192 757068556 /nfs/dbraw/zinc/06/85/56/757068556.db2.gz HPCLZPVVBKNJBA-OKILXGFUSA-N 1 2 326.404 0.312 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@@H]2C[N@H+](Cc3nnnn3C3CC3)C[C@@H]2C1 ZINC001048810192 757068568 /nfs/dbraw/zinc/06/85/68/757068568.db2.gz HPCLZPVVBKNJBA-OKILXGFUSA-N 1 2 326.404 0.312 20 30 ECEDLO CCCn1nnnc1C[N@H+]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 ZINC001048814142 757080813 /nfs/dbraw/zinc/08/08/13/757080813.db2.gz XYUVFWDCUAAACK-GASCZTMLSA-N 1 2 328.420 0.387 20 30 ECEDLO CCCn1nnnc1C[N@@H+]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 ZINC001048814142 757080821 /nfs/dbraw/zinc/08/08/21/757080821.db2.gz XYUVFWDCUAAACK-GASCZTMLSA-N 1 2 328.420 0.387 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)Cc3cc(C)[nH]n3)nn2)C1 ZINC001107159810 757132805 /nfs/dbraw/zinc/13/28/05/757132805.db2.gz WWJYJISSEZONSC-UHFFFAOYSA-N 1 2 327.392 0.049 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)Cc3cc(C)n[nH]3)nn2)C1 ZINC001107159810 757132812 /nfs/dbraw/zinc/13/28/12/757132812.db2.gz WWJYJISSEZONSC-UHFFFAOYSA-N 1 2 327.392 0.049 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001011192475 757164318 /nfs/dbraw/zinc/16/43/18/757164318.db2.gz YZPZPSXYWYCMPY-YOEHRIQHSA-N 1 2 346.431 0.994 20 30 ECEDLO C#CCCCC(=O)NCc1cn(C2C[NH+](CCn3cccn3)C2)nn1 ZINC001107164437 757165123 /nfs/dbraw/zinc/16/51/23/757165123.db2.gz BFDDJUODBNUOEK-UHFFFAOYSA-N 1 2 341.419 0.451 20 30 ECEDLO N#Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCOC3)C2)ccc1F ZINC001076793894 757190843 /nfs/dbraw/zinc/19/08/43/757190843.db2.gz MQNIFKLYBSBEHJ-KBRIMQKVSA-N 1 2 347.390 0.785 20 30 ECEDLO N#Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCOC3)C2)ccc1F ZINC001076793894 757190847 /nfs/dbraw/zinc/19/08/47/757190847.db2.gz MQNIFKLYBSBEHJ-KBRIMQKVSA-N 1 2 347.390 0.785 20 30 ECEDLO C=CCC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1O ZINC001048861489 757210677 /nfs/dbraw/zinc/21/06/77/757210677.db2.gz IYDRSCKJKWQCFA-GJZGRUSLSA-N 1 2 348.447 0.906 20 30 ECEDLO O=C(C#CC1CC1)NCc1cn(C2C[NH+](CCn3cccn3)C2)nn1 ZINC001107171192 757217180 /nfs/dbraw/zinc/21/71/80/757217180.db2.gz MNNHRBUMMVQYRJ-UHFFFAOYSA-N 1 2 339.403 0.061 20 30 ECEDLO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cscn3)C2)c1 ZINC001076803313 757222922 /nfs/dbraw/zinc/22/29/22/757222922.db2.gz CBGJBSFICNBBPY-UKRRQHHQSA-N 1 2 328.397 0.990 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cscn3)C2)c1 ZINC001076803313 757222928 /nfs/dbraw/zinc/22/29/28/757222928.db2.gz CBGJBSFICNBBPY-UKRRQHHQSA-N 1 2 328.397 0.990 20 30 ECEDLO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001076828405 757290333 /nfs/dbraw/zinc/29/03/33/757290333.db2.gz CHZWOWBBULRWFK-IAGOWNOFSA-N 1 2 342.374 0.304 20 30 ECEDLO O=C(Cc1cc[nH]n1)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001076828405 757290341 /nfs/dbraw/zinc/29/03/41/757290341.db2.gz CHZWOWBBULRWFK-IAGOWNOFSA-N 1 2 342.374 0.304 20 30 ECEDLO C=CC(C)(C)CC(=O)N(C)[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1O ZINC001048912859 757381153 /nfs/dbraw/zinc/38/11/53/757381153.db2.gz OJNQNEMCYOBOTB-GJZGRUSLSA-N 1 2 348.447 0.893 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)nc1 ZINC001011281097 757395651 /nfs/dbraw/zinc/39/56/51/757395651.db2.gz ORRWUZGQZBYALP-UHFFFAOYSA-N 1 2 337.383 0.703 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)nc1 ZINC001011281097 757395661 /nfs/dbraw/zinc/39/56/61/757395661.db2.gz ORRWUZGQZBYALP-UHFFFAOYSA-N 1 2 337.383 0.703 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)Cc3cncc(C)c3)nn2)C1 ZINC001107189941 757429208 /nfs/dbraw/zinc/42/92/08/757429208.db2.gz JNZSIPKGCQMIAR-UHFFFAOYSA-N 1 2 338.415 0.720 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H](F)CC)nn2)C1 ZINC001107194512 757495777 /nfs/dbraw/zinc/49/57/77/757495777.db2.gz WTHHOKMZVCLHNX-AWEZNQCLSA-N 1 2 325.388 0.702 20 30 ECEDLO C=CC[NH2+][C@@H]1CN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1(C)C ZINC000996425828 757646587 /nfs/dbraw/zinc/64/65/87/757646587.db2.gz LOFRWEUQXSQYHI-GFCCVEGCSA-N 1 2 330.392 0.084 20 30 ECEDLO C=CC(C)(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001049000675 757652870 /nfs/dbraw/zinc/65/28/70/757652870.db2.gz TYJCQAKCCGCBLG-GJZGRUSLSA-N 1 2 348.447 0.975 20 30 ECEDLO C=CC(C)(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001049000675 757652875 /nfs/dbraw/zinc/65/28/75/757652875.db2.gz TYJCQAKCCGCBLG-GJZGRUSLSA-N 1 2 348.447 0.975 20 30 ECEDLO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001049000967 757655585 /nfs/dbraw/zinc/65/55/85/757655585.db2.gz XBXZTHDKRJJVTN-GJZGRUSLSA-N 1 2 332.404 0.176 20 30 ECEDLO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001049000967 757655589 /nfs/dbraw/zinc/65/55/89/757655589.db2.gz XBXZTHDKRJJVTN-GJZGRUSLSA-N 1 2 332.404 0.176 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)Cc3cccnc3C)nn2)C1 ZINC001107209371 757686941 /nfs/dbraw/zinc/68/69/41/757686941.db2.gz OSPIJCFEUGVMPN-UHFFFAOYSA-N 1 2 338.415 0.720 20 30 ECEDLO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001049019135 757708841 /nfs/dbraw/zinc/70/88/41/757708841.db2.gz FZKZITQCEYSHMV-BPUTZDHNSA-N 1 2 346.431 0.442 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C(C)(C)c3cnn(C)c3)nn2)C1 ZINC001107225851 757879612 /nfs/dbraw/zinc/87/96/12/757879612.db2.gz HYTIRKTVMURLSF-UHFFFAOYSA-N 1 2 343.435 0.648 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@]3(C)CCOC3)nn2)C1 ZINC001107222241 757889056 /nfs/dbraw/zinc/88/90/56/757889056.db2.gz KQNKFVLGBQVZLJ-QGZVFWFLSA-N 1 2 349.435 0.380 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](CC(C)C)NC(C)=O)nn2)C1 ZINC001107231914 757949408 /nfs/dbraw/zinc/94/94/08/757949408.db2.gz RLWHMYHZEOLJKB-INIZCTEOSA-N 1 2 348.451 0.488 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](NC(N)=O)C(C)(C)C)nn2)C1 ZINC001107229049 757990102 /nfs/dbraw/zinc/99/01/02/757990102.db2.gz AGAICFFAXRPBGR-CYBMUJFWSA-N 1 2 349.439 0.020 20 30 ECEDLO C=CCn1cccc1C(=O)N1CCO[C@H](C[NH2+]Cc2nc(C)no2)C1 ZINC001051654805 762603517 /nfs/dbraw/zinc/60/35/17/762603517.db2.gz UQAWQMVFZZXVCU-CQSZACIVSA-N 1 2 345.403 0.996 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1O ZINC001049163274 758185541 /nfs/dbraw/zinc/18/55/41/758185541.db2.gz HQHJIKCXFVLCTP-GJZGRUSLSA-N 1 2 348.447 0.893 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1O ZINC001077132957 758268998 /nfs/dbraw/zinc/26/89/98/758268998.db2.gz DNMAFKXHPQUESI-NVXWUHKLSA-N 1 2 343.431 0.691 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1O ZINC001077132957 758269005 /nfs/dbraw/zinc/26/90/05/758269005.db2.gz DNMAFKXHPQUESI-NVXWUHKLSA-N 1 2 343.431 0.691 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001077125606 758292194 /nfs/dbraw/zinc/29/21/94/758292194.db2.gz YXIIQEZDTORBLQ-HOCLYGCPSA-N 1 2 345.447 0.300 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1O ZINC001077138591 758293723 /nfs/dbraw/zinc/29/37/23/758293723.db2.gz KIDFWIBFCJMYRM-JGGQBBKZSA-N 1 2 346.431 0.116 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CC2)C[C@H]1O ZINC001077138591 758293733 /nfs/dbraw/zinc/29/37/33/758293733.db2.gz KIDFWIBFCJMYRM-JGGQBBKZSA-N 1 2 346.431 0.116 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC/C=C/CNc1ncnc2c1C[N@H+](C)CC2 ZINC001107346417 758358257 /nfs/dbraw/zinc/35/82/57/758358257.db2.gz OZBVNKLSYDXHSP-GJBLVYBDSA-N 1 2 343.431 0.587 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC/C=C/CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001107346417 758358267 /nfs/dbraw/zinc/35/82/67/758358267.db2.gz OZBVNKLSYDXHSP-GJBLVYBDSA-N 1 2 343.431 0.587 20 30 ECEDLO N#Cc1cncc(NC/C=C/CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC001107393809 758451659 /nfs/dbraw/zinc/45/16/59/758451659.db2.gz GPCVXBVELNWCIK-ZIYVKSGCSA-N 1 2 337.387 0.892 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000996683372 758463916 /nfs/dbraw/zinc/46/39/16/758463916.db2.gz BXOULBNYDWABOR-HNNXBMFYSA-N 1 2 333.461 0.716 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000996683372 758463924 /nfs/dbraw/zinc/46/39/24/758463924.db2.gz BXOULBNYDWABOR-HNNXBMFYSA-N 1 2 333.461 0.716 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(C(F)(F)F)nc2)C1 ZINC001077193960 758475743 /nfs/dbraw/zinc/47/57/43/758475743.db2.gz TWKNKRMOIJRIPZ-GHMZBOCLSA-N 1 2 328.294 0.294 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(C(F)(F)F)nc2)C1 ZINC001077193960 758475745 /nfs/dbraw/zinc/47/57/45/758475745.db2.gz TWKNKRMOIJRIPZ-GHMZBOCLSA-N 1 2 328.294 0.294 20 30 ECEDLO CN(C(=O)CCCn1cc[nH+]c1)C1CC(Nc2ccnc(C#N)n2)C1 ZINC001126967241 758602318 /nfs/dbraw/zinc/60/23/18/758602318.db2.gz ASOMXDLGFZOOPS-UHFFFAOYSA-N 1 2 339.403 0.848 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001030332346 762648301 /nfs/dbraw/zinc/64/83/01/762648301.db2.gz IJCIXTJPQAWGTK-XHSDSOJGSA-N 1 2 334.420 0.026 20 30 ECEDLO N#Cc1cc(C(=O)N2C[C@@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)[C@@H]3C2)c[nH]1 ZINC001022521146 758831220 /nfs/dbraw/zinc/83/12/20/758831220.db2.gz KKYNWIJBXADTAD-SMDDNHRTSA-N 1 2 338.371 0.525 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H]2C)nc1 ZINC001011935563 758996364 /nfs/dbraw/zinc/99/63/64/758996364.db2.gz FKRLWLRTBUQFBZ-TZMCWYRMSA-N 1 2 337.383 0.748 20 30 ECEDLO C=CCC(CC=C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001049640155 759041046 /nfs/dbraw/zinc/04/10/46/759041046.db2.gz UQZFLKVJUDPKAH-HOTGVXAUSA-N 1 2 346.431 0.751 20 30 ECEDLO CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCN(C(=O)[C@H](C)C#N)CC1 ZINC001011618559 759254543 /nfs/dbraw/zinc/25/45/43/759254543.db2.gz PRWQMCSNQYBNLB-CABCVRRESA-N 1 2 336.436 0.318 20 30 ECEDLO CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCN(C(=O)[C@H](C)C#N)CC1 ZINC001011618559 759254549 /nfs/dbraw/zinc/25/45/49/759254549.db2.gz PRWQMCSNQYBNLB-CABCVRRESA-N 1 2 336.436 0.318 20 30 ECEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)[C@@H](O)C1 ZINC001083612292 759296174 /nfs/dbraw/zinc/29/61/74/759296174.db2.gz LVULXBOKKKPUGX-CABCVRRESA-N 1 2 336.436 0.112 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)[C@@H](O)C1 ZINC001083612292 759296177 /nfs/dbraw/zinc/29/61/77/759296177.db2.gz LVULXBOKKKPUGX-CABCVRRESA-N 1 2 336.436 0.112 20 30 ECEDLO N#Cc1nccc(N[C@H]2CCCCCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC001049916309 759398039 /nfs/dbraw/zinc/39/80/39/759398039.db2.gz WRRCMUPQDXSGNR-AWEZNQCLSA-N 1 2 339.403 0.850 20 30 ECEDLO C#CCCCC(=O)N1CCC(OC2C[NH+](CCOCCO)C2)CC1 ZINC001105703789 759514817 /nfs/dbraw/zinc/51/48/17/759514817.db2.gz JMNCCHSRYYZKPO-UHFFFAOYSA-N 1 2 338.448 0.491 20 30 ECEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)[C@H](O)C(C)C)CC2)C1 ZINC001105704347 759528607 /nfs/dbraw/zinc/52/86/07/759528607.db2.gz UCEYZMDNKPYRSS-QGZVFWFLSA-N 1 2 340.464 0.898 20 30 ECEDLO Cn1ncc(C[N@@H+]2C[C@@H]3CCCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)n1 ZINC001050024151 759563660 /nfs/dbraw/zinc/56/36/60/759563660.db2.gz CLZZTDKYQPKAOC-BLLLJJGKSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1ncc(C[N@H+]2C[C@@H]3CCCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)n1 ZINC001050024151 759563665 /nfs/dbraw/zinc/56/36/65/759563665.db2.gz CLZZTDKYQPKAOC-BLLLJJGKSA-N 1 2 339.403 0.751 20 30 ECEDLO CN(C[C@H](O)CN(C)c1[nH+]cnc2c1cnn2C)C(=O)C#CC1CC1 ZINC001125080649 759592314 /nfs/dbraw/zinc/59/23/14/759592314.db2.gz LWEHIQBWZAXPKR-ZDUSSCGKSA-N 1 2 342.403 0.032 20 30 ECEDLO C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001050097555 759695810 /nfs/dbraw/zinc/69/58/10/759695810.db2.gz JENCYFROMQJGQK-CHWSQXEVSA-N 1 2 349.460 0.952 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)C3CCOCC3)nn2)C1 ZINC001107110675 760062040 /nfs/dbraw/zinc/06/20/40/760062040.db2.gz AZCCNWPQYHMQRY-UHFFFAOYSA-N 1 2 349.435 0.380 20 30 ECEDLO Cc1cnn(C)c1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001077530655 767922292 /nfs/dbraw/zinc/92/22/92/767922292.db2.gz WVFJLXPJEIIYBK-ZIAGYGMSSA-N 1 2 345.428 0.637 20 30 ECEDLO Cc1cnn(C)c1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001077530655 767922295 /nfs/dbraw/zinc/92/22/95/767922295.db2.gz WVFJLXPJEIIYBK-ZIAGYGMSSA-N 1 2 345.428 0.637 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1c1cnc(C#N)cn1 ZINC001050454286 760288961 /nfs/dbraw/zinc/28/89/61/760288961.db2.gz HYNTUMOUJGDPQB-RISCZKNCSA-N 1 2 325.376 0.408 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[NH+](Cc1nnc3n1CCOC3)CC2 ZINC001050463264 760308046 /nfs/dbraw/zinc/30/80/46/760308046.db2.gz MNCALMBZCXZXJD-CYBMUJFWSA-N 1 2 344.419 0.392 20 30 ECEDLO C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001050484026 760338905 /nfs/dbraw/zinc/33/89/05/760338905.db2.gz QYCDPNALHUANHU-OLZOCXBDSA-N 1 2 340.387 0.750 20 30 ECEDLO C#CC[N@@H+]1CC[C@]2(NC(=O)C3CC4(C3)CS(=O)(=O)C4)CCC[C@H]12 ZINC000991358208 760467221 /nfs/dbraw/zinc/46/72/21/760467221.db2.gz HUMYIHSHRQRRTA-WMLDXEAASA-N 1 2 336.457 0.558 20 30 ECEDLO C#CC[N@H+]1CC[C@]2(NC(=O)C3CC4(C3)CS(=O)(=O)C4)CCC[C@H]12 ZINC000991358208 760467230 /nfs/dbraw/zinc/46/72/30/760467230.db2.gz HUMYIHSHRQRRTA-WMLDXEAASA-N 1 2 336.457 0.558 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3cnsn3)nn2)C1 ZINC001107131941 760547177 /nfs/dbraw/zinc/54/71/77/760547177.db2.gz FBPYBEWMFUWHKG-UHFFFAOYSA-N 1 2 349.420 0.119 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]c[nH]2)c1 ZINC000996004464 760928830 /nfs/dbraw/zinc/92/88/30/760928830.db2.gz ACNWDZMLKHPZPB-IPYPFGDCSA-N 1 2 338.371 0.714 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[C@H](C)N(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001013041516 760987977 /nfs/dbraw/zinc/98/79/77/760987977.db2.gz DJTSGXFXAJUOGT-QWHCGFSZSA-N 1 2 343.391 0.080 20 30 ECEDLO Cc1csc(NC(=O)C[N@@H+]2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)n1 ZINC001048727933 761055352 /nfs/dbraw/zinc/05/53/52/761055352.db2.gz PRFCAOALDSKNMG-RTXFEEFZSA-N 1 2 347.444 0.940 20 30 ECEDLO Cc1csc(NC(=O)C[N@H+]2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)n1 ZINC001048727933 761055361 /nfs/dbraw/zinc/05/53/61/761055361.db2.gz PRFCAOALDSKNMG-RTXFEEFZSA-N 1 2 347.444 0.940 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CNC(=O)c2ccccc21 ZINC001050954417 761213179 /nfs/dbraw/zinc/21/31/79/761213179.db2.gz AJAQKBRFRQYWFX-YOEHRIQHSA-N 1 2 343.427 0.907 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CNC(=O)c2ccccc21 ZINC001050954417 761213183 /nfs/dbraw/zinc/21/31/83/761213183.db2.gz AJAQKBRFRQYWFX-YOEHRIQHSA-N 1 2 343.427 0.907 20 30 ECEDLO CC#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001050991036 761285812 /nfs/dbraw/zinc/28/58/12/761285812.db2.gz SEFPAAKPNKBZJS-HUUCEWRRSA-N 1 2 330.432 0.663 20 30 ECEDLO CC#CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001050991036 761285814 /nfs/dbraw/zinc/28/58/14/761285814.db2.gz SEFPAAKPNKBZJS-HUUCEWRRSA-N 1 2 330.432 0.663 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H]2C)n1 ZINC001051068832 761432948 /nfs/dbraw/zinc/43/29/48/761432948.db2.gz QDBDHMYDZFDSMP-RISCZKNCSA-N 1 2 325.376 0.706 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)cn1 ZINC001013469160 761456165 /nfs/dbraw/zinc/45/61/65/761456165.db2.gz KUMNEGKJQHTJHQ-SWLSCSKDSA-N 1 2 337.383 0.748 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C[C@H]1C ZINC001013494180 761486695 /nfs/dbraw/zinc/48/66/95/761486695.db2.gz ZLWSEPFWORPCDR-ZWNOBZJWSA-N 1 2 340.387 0.880 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CNc1cncc(C#N)n1 ZINC001054567496 768044317 /nfs/dbraw/zinc/04/43/17/768044317.db2.gz BXJFMAZBSWVRFA-VXGBXAGGSA-N 1 2 325.376 0.820 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CNc1nccnc1C#N ZINC001054570441 768045022 /nfs/dbraw/zinc/04/50/22/768045022.db2.gz GZOLXMBHAMKLBP-VXGBXAGGSA-N 1 2 325.376 0.820 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CNc1cnc(C#N)cn1 ZINC001054570489 768045106 /nfs/dbraw/zinc/04/51/06/768045106.db2.gz HKLFNTQEKIQENB-VXGBXAGGSA-N 1 2 325.376 0.820 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(CNC(C)=O)o1 ZINC001051169062 761599861 /nfs/dbraw/zinc/59/98/61/761599861.db2.gz QGVXNUYIJQRQPT-AWEZNQCLSA-N 1 2 335.404 0.922 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(CNC(C)=O)o1 ZINC001051169062 761599864 /nfs/dbraw/zinc/59/98/64/761599864.db2.gz QGVXNUYIJQRQPT-AWEZNQCLSA-N 1 2 335.404 0.922 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1c[nH]nc1-c1cnn(C)c1 ZINC001051202542 761679870 /nfs/dbraw/zinc/67/98/70/761679870.db2.gz JNMGZIPHVNDLTR-CQSZACIVSA-N 1 2 344.419 0.817 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1c[nH]nc1-c1cnn(C)c1 ZINC001051202542 761679872 /nfs/dbraw/zinc/67/98/72/761679872.db2.gz JNMGZIPHVNDLTR-CQSZACIVSA-N 1 2 344.419 0.817 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)/C=C/c2ccc[nH]2)[C@H](OC)C1 ZINC001212175092 762708170 /nfs/dbraw/zinc/70/81/70/762708170.db2.gz GJDSSJOIYONAPN-NZXCHNHRSA-N 1 2 346.431 0.534 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)/C=C/c2ccc[nH]2)[C@H](OC)C1 ZINC001212175092 762708173 /nfs/dbraw/zinc/70/81/73/762708173.db2.gz GJDSSJOIYONAPN-NZXCHNHRSA-N 1 2 346.431 0.534 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)NC[C@H](O)CNc1ncccc1C#N ZINC001105927866 762836330 /nfs/dbraw/zinc/83/63/30/762836330.db2.gz OCPQWUKUFOVHJY-AWEZNQCLSA-N 1 2 328.376 0.209 20 30 ECEDLO Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)CCc2c[nH+]cn2C)n1 ZINC001105928413 762839721 /nfs/dbraw/zinc/83/97/21/762839721.db2.gz VAELBBGTOGIFGY-HNNXBMFYSA-N 1 2 342.403 0.517 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)NC[C@H](O)CNc1cccc(F)c1C#N ZINC001105927280 762842194 /nfs/dbraw/zinc/84/21/94/762842194.db2.gz CXGOZFWYOGMYPM-CYBMUJFWSA-N 1 2 345.378 0.953 20 30 ECEDLO CN1C[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)CC1=O ZINC001014622314 762919412 /nfs/dbraw/zinc/91/94/12/762919412.db2.gz YZCZWJSSAROMFB-CVEARBPZSA-N 1 2 326.400 0.727 20 30 ECEDLO CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CC1=O ZINC001014622314 762919416 /nfs/dbraw/zinc/91/94/16/762919416.db2.gz YZCZWJSSAROMFB-CVEARBPZSA-N 1 2 326.400 0.727 20 30 ECEDLO N#Cc1c(F)cccc1N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001051790657 762973861 /nfs/dbraw/zinc/97/38/61/762973861.db2.gz XPMFXQLUMQUWQC-ZBFHGGJFSA-N 1 2 343.362 0.719 20 30 ECEDLO N#Cc1cncc(N2CC=C(CCNC(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC001089840247 763095206 /nfs/dbraw/zinc/09/52/06/763095206.db2.gz KGXCFLKBRSUKEO-UHFFFAOYSA-N 1 2 337.387 0.957 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3csnn3)C2)cn1 ZINC001051908847 763303720 /nfs/dbraw/zinc/30/37/20/763303720.db2.gz MXSBVDSOSSCQLJ-OAHLLOKOSA-N 1 2 343.412 0.545 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001014883772 763366167 /nfs/dbraw/zinc/36/61/67/763366167.db2.gz XWUABVSDNJDZSW-WCQYABFASA-N 1 2 340.387 0.961 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cn3cc(C)cn3)C2)CC1 ZINC001051985996 763518662 /nfs/dbraw/zinc/51/86/62/763518662.db2.gz FGQMYBJICSLXEY-QGZVFWFLSA-N 1 2 329.448 0.433 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(Cc3ccnn3C)CC2)C1 ZINC001051997644 763549033 /nfs/dbraw/zinc/54/90/33/763549033.db2.gz FEXDOCQTVBTWAL-HOCLYGCPSA-N 1 2 330.436 0.298 20 30 ECEDLO Cc1nocc1CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001051998251 763550639 /nfs/dbraw/zinc/55/06/39/763550639.db2.gz QANIVHNKCBRJCB-CZUORRHYSA-N 1 2 331.420 0.861 20 30 ECEDLO Cc1nn(C)cc1CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001051998372 763551497 /nfs/dbraw/zinc/55/14/97/763551497.db2.gz SAKLKIXZIPAUGQ-WMLDXEAASA-N 1 2 344.463 0.607 20 30 ECEDLO Cc1nn(C)cc1C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001051998372 763551500 /nfs/dbraw/zinc/55/15/00/763551500.db2.gz SAKLKIXZIPAUGQ-WMLDXEAASA-N 1 2 344.463 0.607 20 30 ECEDLO COc1cc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)on1 ZINC001051998381 763551625 /nfs/dbraw/zinc/55/16/25/763551625.db2.gz SEIZOEKMQPPIEK-ZIAGYGMSSA-N 1 2 347.419 0.561 20 30 ECEDLO Cc1cc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)no1 ZINC001051998466 763551706 /nfs/dbraw/zinc/55/17/06/763551706.db2.gz UPVQABCYSZMYQW-XJKSGUPXSA-N 1 2 331.420 0.861 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccc(=O)[nH]3)C2)CC1 ZINC001052005147 763569758 /nfs/dbraw/zinc/56/97/58/763569758.db2.gz XOEIAIGQUGFLKH-OAHLLOKOSA-N 1 2 328.416 0.643 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@](C)(O)C3CC3)C2)CC1 ZINC001052011585 763581967 /nfs/dbraw/zinc/58/19/67/763581967.db2.gz VZFWPXAFJKJUCO-MJGOQNOKSA-N 1 2 333.476 0.779 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)Cc3nnc(C)[nH]3)C2)CC1 ZINC001052025170 763615368 /nfs/dbraw/zinc/61/53/68/763615368.db2.gz ZPXKFKGMNYXIOC-OAHLLOKOSA-N 1 2 332.452 0.450 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)c3ccnn3C)C2)CC1 ZINC001052030232 763628049 /nfs/dbraw/zinc/62/80/49/763628049.db2.gz KCMOFJLCSDNCPV-DLBZAZTESA-N 1 2 343.475 0.765 20 30 ECEDLO CC(C)Cn1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052032119 763633272 /nfs/dbraw/zinc/63/32/72/763633272.db2.gz BKFNHPHWYKFCAR-MRXNPFEDSA-N 1 2 344.463 0.895 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(OCC)nc3)C2)CC1 ZINC001052035514 763644082 /nfs/dbraw/zinc/64/40/82/763644082.db2.gz KUTNCEQVCDPQJB-QGZVFWFLSA-N 1 2 342.443 0.946 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc[nH]c3=O)C2)CC1 ZINC001052040182 763661069 /nfs/dbraw/zinc/66/10/69/763661069.db2.gz AUMMJQIVPNAYCI-AWEZNQCLSA-N 1 2 329.404 0.038 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc4nc[nH]c4n3)C2)CC1 ZINC001052041237 763664929 /nfs/dbraw/zinc/66/49/29/763664929.db2.gz WQAADOBCEVQYRI-AWEZNQCLSA-N 1 2 338.415 0.423 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3OCCO[C@H]3C)C2)CC1 ZINC001052041534 763667837 /nfs/dbraw/zinc/66/78/37/763667837.db2.gz KELGGWBMVYNBDT-ULQDDVLXSA-N 1 2 335.448 0.032 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)CC1 ZINC001052047601 763691131 /nfs/dbraw/zinc/69/11/31/763691131.db2.gz SGQLVQTXKSFNHQ-WMZOPIPTSA-N 1 2 340.427 0.732 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc4[nH]ccc4n3)C2)CC1 ZINC001052050758 763708565 /nfs/dbraw/zinc/70/85/65/763708565.db2.gz YUJSKFKUSKYEJM-AWEZNQCLSA-N 1 2 338.415 0.919 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)CC1 ZINC001052053464 763719137 /nfs/dbraw/zinc/71/91/37/763719137.db2.gz LTJXZNKJUNIPBG-XWTMOSNGSA-N 1 2 331.460 0.653 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)C2)CC1 ZINC001052056261 763727261 /nfs/dbraw/zinc/72/72/61/763727261.db2.gz WGPGSMWZBRUHHQ-GVDBMIGSSA-N 1 2 341.459 0.375 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001015045984 763746248 /nfs/dbraw/zinc/74/62/48/763746248.db2.gz XNSPMPFYKCKKQL-GOEBONIOSA-N 1 2 326.400 0.775 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001015045984 763746257 /nfs/dbraw/zinc/74/62/57/763746257.db2.gz XNSPMPFYKCKKQL-GOEBONIOSA-N 1 2 326.400 0.775 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN([C@@H]3CCNC3=O)CC2)C1 ZINC001052062918 763748131 /nfs/dbraw/zinc/74/81/31/763748131.db2.gz QJEVKWCOYIZEOB-LSDHHAIUSA-N 1 2 334.464 0.306 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3csc(=O)[nH]3)C2)CC1 ZINC001052068082 763759981 /nfs/dbraw/zinc/75/99/81/763759981.db2.gz VDXYQFXRMRTPCH-ZDUSSCGKSA-N 1 2 334.445 0.704 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCC(=O)N3C)C2)CC1 ZINC001052068383 763761540 /nfs/dbraw/zinc/76/15/40/763761540.db2.gz HJPSPVGQJQFHNL-JKSUJKDBSA-N 1 2 334.464 0.402 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCc4cccnc43)C2)CC1 ZINC001052068631 763763272 /nfs/dbraw/zinc/76/32/72/763763272.db2.gz LLAVPPHXKDELBF-ZWKOTPCHSA-N 1 2 338.455 0.963 20 30 ECEDLO CCOc1cc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)ccn1 ZINC001052080924 763796309 /nfs/dbraw/zinc/79/63/09/763796309.db2.gz HZLFFTBKTNBFRW-MRXNPFEDSA-N 1 2 343.431 0.836 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)Cn3ccc(C)n3)C2)CC1 ZINC001052085271 763810600 /nfs/dbraw/zinc/81/06/00/763810600.db2.gz BZUFVOUPIHRMIE-KRWDZBQOSA-N 1 2 331.464 0.986 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N(C)C[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001124525778 763831218 /nfs/dbraw/zinc/83/12/18/763831218.db2.gz RPKGOXULFYWRRE-GJZGRUSLSA-N 1 2 349.435 0.487 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnc(C)nc3C)C2)CC1 ZINC001052099402 763857891 /nfs/dbraw/zinc/85/78/91/763857891.db2.gz IKTHWZHAYJONTD-INIZCTEOSA-N 1 2 327.432 0.559 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)F)C2)C1=O ZINC001047276628 763864999 /nfs/dbraw/zinc/86/49/99/763864999.db2.gz DWAJGBILYWEGEA-AGIUHOORSA-N 1 2 327.400 0.025 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)F)C2)C1=O ZINC001047276628 763865006 /nfs/dbraw/zinc/86/50/06/763865006.db2.gz DWAJGBILYWEGEA-AGIUHOORSA-N 1 2 327.400 0.025 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C(C)(C)c3cnn(C)c3)C2)CC1 ZINC001052102246 763866705 /nfs/dbraw/zinc/86/67/05/763866705.db2.gz YNQPWWKWNHJHGA-QGZVFWFLSA-N 1 2 343.475 0.549 20 30 ECEDLO COCc1nc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)co1 ZINC001052104205 763872330 /nfs/dbraw/zinc/87/23/30/763872330.db2.gz XTKLHZGJFBWUFD-ZDUSSCGKSA-N 1 2 333.392 0.177 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCC(=O)N3C)C2)CC1 ZINC001052112834 763909059 /nfs/dbraw/zinc/90/90/59/763909059.db2.gz FRSZSZKBMFREDR-SJORKVTESA-N 1 2 348.491 0.792 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3c(C)noc3C)C2)CC1 ZINC001052116905 763925754 /nfs/dbraw/zinc/92/57/54/763925754.db2.gz AKHANABGRWPZRM-MRXNPFEDSA-N 1 2 330.432 0.686 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(N(C)C)cn3)C2)CC1 ZINC001052123748 763949653 /nfs/dbraw/zinc/94/96/53/763949653.db2.gz ORNWJQOBZGECKY-KRWDZBQOSA-N 1 2 341.459 0.613 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)c3cnn(C)c3)C2)CC1 ZINC001052123900 763951297 /nfs/dbraw/zinc/95/12/97/763951297.db2.gz SUDKNSJOARJCRF-AEFFLSMTSA-N 1 2 343.475 0.765 20 30 ECEDLO CN(C(=O)c1ccon1)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047311036 763954631 /nfs/dbraw/zinc/95/46/31/763954631.db2.gz NJDCOLRMHRAYMQ-IRXDYDNUSA-N 1 2 325.368 0.843 20 30 ECEDLO CN(C(=O)c1ccon1)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047311036 763954634 /nfs/dbraw/zinc/95/46/34/763954634.db2.gz NJDCOLRMHRAYMQ-IRXDYDNUSA-N 1 2 325.368 0.843 20 30 ECEDLO CN(C(=O)c1ccnn1C)[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047321298 763986959 /nfs/dbraw/zinc/98/69/59/763986959.db2.gz IMQWDQYCTQVCBS-IRXDYDNUSA-N 1 2 339.399 0.609 20 30 ECEDLO CN(C(=O)c1ccnn1C)[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047321298 763986965 /nfs/dbraw/zinc/98/69/65/763986965.db2.gz IMQWDQYCTQVCBS-IRXDYDNUSA-N 1 2 339.399 0.609 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3csnn3)[C@@H](O)C2)cc1 ZINC001083677251 764014084 /nfs/dbraw/zinc/01/40/84/764014084.db2.gz KKXRYSGOFNCKRP-OCCSQVGLSA-N 1 2 329.385 0.385 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)c3csnn3)[C@@H](O)C2)cc1 ZINC001083677251 764014097 /nfs/dbraw/zinc/01/40/97/764014097.db2.gz KKXRYSGOFNCKRP-OCCSQVGLSA-N 1 2 329.385 0.385 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)c3csnn3)[C@@H](O)C2)c1 ZINC001083677290 764023658 /nfs/dbraw/zinc/02/36/58/764023658.db2.gz MBBGGVAKBABNFW-OCCSQVGLSA-N 1 2 329.385 0.385 20 30 ECEDLO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)c3csnn3)[C@@H](O)C2)c1 ZINC001083677290 764023668 /nfs/dbraw/zinc/02/36/68/764023668.db2.gz MBBGGVAKBABNFW-OCCSQVGLSA-N 1 2 329.385 0.385 20 30 ECEDLO CN(C(=O)Cc1ccn[nH]1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047332161 764029495 /nfs/dbraw/zinc/02/94/95/764029495.db2.gz PSLVNOBBWJNKSZ-IRXDYDNUSA-N 1 2 339.399 0.528 20 30 ECEDLO CN(C(=O)Cc1ccn[nH]1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047332161 764029499 /nfs/dbraw/zinc/02/94/99/764029499.db2.gz PSLVNOBBWJNKSZ-IRXDYDNUSA-N 1 2 339.399 0.528 20 30 ECEDLO C=CCOCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001052219841 764077683 /nfs/dbraw/zinc/07/76/83/764077683.db2.gz DONBNDRCBPUTLJ-KGLIPLIRSA-N 1 2 334.420 0.376 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2[nH]nc(C)c2C(F)(F)F)[C@@H](O)C1 ZINC001083777540 764104014 /nfs/dbraw/zinc/10/40/14/764104014.db2.gz ABKKQZBMJRNODX-ZJUUUORDSA-N 1 2 330.310 0.535 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2[nH]nc(C)c2C(F)(F)F)[C@@H](O)C1 ZINC001083777540 764104021 /nfs/dbraw/zinc/10/40/21/764104021.db2.gz ABKKQZBMJRNODX-ZJUUUORDSA-N 1 2 330.310 0.535 20 30 ECEDLO CN(C(=O)c1ncc[nH]1)[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC001047375375 764151731 /nfs/dbraw/zinc/15/17/31/764151731.db2.gz PXFRWNGEHIOZPC-GJZGRUSLSA-N 1 2 343.362 0.738 20 30 ECEDLO CN(C(=O)c1ncc[nH]1)[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC001047375375 764151738 /nfs/dbraw/zinc/15/17/38/764151738.db2.gz PXFRWNGEHIOZPC-GJZGRUSLSA-N 1 2 343.362 0.738 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001047399907 764220388 /nfs/dbraw/zinc/22/03/88/764220388.db2.gz VNZKNKVOVGSQKG-MJBXVCDLSA-N 1 2 332.404 0.651 20 30 ECEDLO C=CCn1cc(C(=O)NCC2C[NH+](Cc3cncc(F)c3)C2)nn1 ZINC001032036194 764227396 /nfs/dbraw/zinc/22/73/96/764227396.db2.gz TYLRATYXVYJZBZ-UHFFFAOYSA-N 1 2 330.367 0.860 20 30 ECEDLO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001052312644 764230431 /nfs/dbraw/zinc/23/04/31/764230431.db2.gz DHQQBRDTZUCBAD-YPMHNXCESA-N 1 2 340.387 0.676 20 30 ECEDLO CC#CCCCC(=O)NC[C@H](O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106063020 764237861 /nfs/dbraw/zinc/23/78/61/764237861.db2.gz QLBZHRSANMVTSU-ZDUSSCGKSA-N 1 2 334.424 0.329 20 30 ECEDLO C[C@H](c1nnnn1C)[N@@H+]1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001052320084 764243764 /nfs/dbraw/zinc/24/37/64/764243764.db2.gz NJFSNKODNYXTRH-NEPJUHHUSA-N 1 2 342.407 0.755 20 30 ECEDLO C[C@H](c1nnnn1C)[N@H+]1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001052320084 764243768 /nfs/dbraw/zinc/24/37/68/764243768.db2.gz NJFSNKODNYXTRH-NEPJUHHUSA-N 1 2 342.407 0.755 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(C(F)(F)F)nc2)C1 ZINC001047420116 764290408 /nfs/dbraw/zinc/29/04/08/764290408.db2.gz AQVLQWSPSJVYHF-RYUDHWBXSA-N 1 2 342.321 0.636 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(C(F)(F)F)nc2)C1 ZINC001047420116 764290417 /nfs/dbraw/zinc/29/04/17/764290417.db2.gz AQVLQWSPSJVYHF-RYUDHWBXSA-N 1 2 342.321 0.636 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(NC(C)=O)n2)C1 ZINC001047438252 764344150 /nfs/dbraw/zinc/34/41/50/764344150.db2.gz FIOKLYYXDCUZAZ-STQMWFEESA-N 1 2 336.417 0.242 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(NC(C)=O)n2)C1 ZINC001047438252 764344159 /nfs/dbraw/zinc/34/41/59/764344159.db2.gz FIOKLYYXDCUZAZ-STQMWFEESA-N 1 2 336.417 0.242 20 30 ECEDLO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001052390147 764393827 /nfs/dbraw/zinc/39/38/27/764393827.db2.gz BKVHLESTORIKFS-TZMCWYRMSA-N 1 2 340.387 0.607 20 30 ECEDLO C[C@@]1(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)CNC(=O)C1 ZINC001015374221 764469433 /nfs/dbraw/zinc/46/94/33/764469433.db2.gz BEIHOJWHOANCSH-APWZRJJASA-N 1 2 343.402 0.894 20 30 ECEDLO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)CNC(=O)C1 ZINC001015374221 764469437 /nfs/dbraw/zinc/46/94/37/764469437.db2.gz BEIHOJWHOANCSH-APWZRJJASA-N 1 2 343.402 0.894 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C3(C)CCC3)C2)C1=O ZINC001047489335 764491749 /nfs/dbraw/zinc/49/17/49/764491749.db2.gz MPIUAOMSYXHLDB-ILXRZTDVSA-N 1 2 335.448 0.467 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C3(C)CCC3)C2)C1=O ZINC001047489335 764491752 /nfs/dbraw/zinc/49/17/52/764491752.db2.gz MPIUAOMSYXHLDB-ILXRZTDVSA-N 1 2 335.448 0.467 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3cc(C)co3)C2)C1=O ZINC001047496167 764507215 /nfs/dbraw/zinc/50/72/15/764507215.db2.gz RNMCUYYVXOSDIS-KKUMJFAQSA-N 1 2 347.415 0.492 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3cc(C)co3)C2)C1=O ZINC001047496167 764507217 /nfs/dbraw/zinc/50/72/17/764507217.db2.gz RNMCUYYVXOSDIS-KKUMJFAQSA-N 1 2 347.415 0.492 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2conc2C)C[C@@H]1O ZINC001047529405 764607749 /nfs/dbraw/zinc/60/77/49/764607749.db2.gz AUHICHBQJKDEBR-UGUYLWEFSA-N 1 2 335.404 0.578 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2conc2C)C[C@@H]1O ZINC001047529405 764607752 /nfs/dbraw/zinc/60/77/52/764607752.db2.gz AUHICHBQJKDEBR-UGUYLWEFSA-N 1 2 335.404 0.578 20 30 ECEDLO 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ZINC001015675861 765147537 /nfs/dbraw/zinc/14/75/37/765147537.db2.gz DJTOZOSZBBWALS-OCCSQVGLSA-N 1 2 332.404 0.828 20 30 ECEDLO C=CCCOCC(=O)N1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001052842150 765214190 /nfs/dbraw/zinc/21/41/90/765214190.db2.gz VODMSTDLZHERJH-ZIAGYGMSSA-N 1 2 334.420 0.756 20 30 ECEDLO C=CCCOCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001052842148 765214306 /nfs/dbraw/zinc/21/43/06/765214306.db2.gz VODMSTDLZHERJH-KGLIPLIRSA-N 1 2 334.420 0.756 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cnoc3CC)C2)C1=O ZINC001015779888 765306250 /nfs/dbraw/zinc/30/62/50/765306250.db2.gz ULCJFFCBNXRQNV-TZMCWYRMSA-N 1 2 332.404 0.828 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cnoc3CC)C2)C1=O ZINC001015779888 765306253 /nfs/dbraw/zinc/30/62/53/765306253.db2.gz ULCJFFCBNXRQNV-TZMCWYRMSA-N 1 2 332.404 0.828 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3cc(COC)on3)C2)C1=O ZINC001015802768 765351169 /nfs/dbraw/zinc/35/11/69/765351169.db2.gz 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327.388 0.064 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001017762546 768352819 /nfs/dbraw/zinc/35/28/19/768352819.db2.gz ZHJKTSYTSWOAOS-GUTXKFCHSA-N 1 2 327.388 0.064 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCCN(C)C1=O)CCO2 ZINC001053506597 766254616 /nfs/dbraw/zinc/25/46/16/766254616.db2.gz LJFNVCXHRRCNKE-OAHLLOKOSA-N 1 2 335.448 0.734 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)CN1CCCCCC1=O)CCO2 ZINC001053527563 766282072 /nfs/dbraw/zinc/28/20/72/766282072.db2.gz SEVKMVWSUYKMQB-UHFFFAOYSA-N 1 2 335.448 0.878 20 30 ECEDLO C#CCN1CC2(C1)CN(C(=O)[C@H](c1cccnc1)[NH+](C)C)CCO2 ZINC001053542669 766308924 /nfs/dbraw/zinc/30/89/24/766308924.db2.gz LYJGINFZQTVJTO-INIZCTEOSA-N 1 2 328.416 0.231 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3cnccn3)C[C@@H]2O)cc1 ZINC001083691296 766361581 /nfs/dbraw/zinc/36/15/81/766361581.db2.gz INBBUECKUZCWGB-XWIAVFTESA-N 1 2 336.395 0.994 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3cnccn3)C[C@@H]2O)cc1 ZINC001083691296 766361590 /nfs/dbraw/zinc/36/15/90/766361590.db2.gz INBBUECKUZCWGB-XWIAVFTESA-N 1 2 336.395 0.994 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001045785644 766369607 /nfs/dbraw/zinc/36/96/07/766369607.db2.gz RXXVDGYAHFKICO-SUMWQHHRSA-N 1 2 348.447 0.880 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001045785644 766369621 /nfs/dbraw/zinc/36/96/21/766369621.db2.gz RXXVDGYAHFKICO-SUMWQHHRSA-N 1 2 348.447 0.880 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccn(C)c(=O)c1)O2 ZINC001053619066 766448369 /nfs/dbraw/zinc/44/83/69/766448369.db2.gz KBJVGXSZDCGOQO-HNNXBMFYSA-N 1 2 331.416 0.925 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccoc1CC(N)=O)O2 ZINC001053653909 766519002 /nfs/dbraw/zinc/51/90/02/766519002.db2.gz CDDZEALNZDYKMD-ZDUSSCGKSA-N 1 2 347.415 0.847 20 30 ECEDLO Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)C[C@@H](C)n2cc[nH+]c2)n1 ZINC001106132082 766603490 /nfs/dbraw/zinc/60/34/90/766603490.db2.gz RUYABXVJXQFPFG-TZMCWYRMSA-N 1 2 343.391 0.394 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccnc1C(N)=O)O2 ZINC001053699541 766616797 /nfs/dbraw/zinc/61/67/97/766616797.db2.gz GAXFKBLPWYDTTM-ZDUSSCGKSA-N 1 2 344.415 0.720 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCc3nncn3C1)O2 ZINC001053701538 766623414 /nfs/dbraw/zinc/62/34/14/766623414.db2.gz XKNIMRCEJQVZSD-UONOGXRCSA-N 1 2 331.420 0.376 20 30 ECEDLO Cn1ccnc1C[N@@H+]1CC[C@@H](N2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001046026920 766684357 /nfs/dbraw/zinc/68/43/57/766684357.db2.gz HEQFSLMJXRQUKO-QGZVFWFLSA-N 1 2 341.459 0.552 20 30 ECEDLO Cn1ccnc1C[N@H+]1CC[C@@H](N2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC001046026920 766684360 /nfs/dbraw/zinc/68/43/60/766684360.db2.gz HEQFSLMJXRQUKO-QGZVFWFLSA-N 1 2 341.459 0.552 20 30 ECEDLO C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cccc4nn[nH]c43)CC2)C1 ZINC001046033692 766710045 /nfs/dbraw/zinc/71/00/45/766710045.db2.gz YXSPURNKVQNGCO-CQSZACIVSA-N 1 2 338.415 0.423 20 30 ECEDLO C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cccc4nn[nH]c43)CC2)C1 ZINC001046033692 766710050 /nfs/dbraw/zinc/71/00/50/766710050.db2.gz YXSPURNKVQNGCO-CQSZACIVSA-N 1 2 338.415 0.423 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)CCc3ccncc3)CC2)C1 ZINC001046039966 766744997 /nfs/dbraw/zinc/74/49/97/766744997.db2.gz BSDVSKZTAKZMHT-KRWDZBQOSA-N 1 2 327.432 0.756 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)Cn3cc(C4CC4)cn3)CC2)C1 ZINC001046040820 766749467 /nfs/dbraw/zinc/74/94/67/766749467.db2.gz LOMOELLIXXYBOH-QGZVFWFLSA-N 1 2 342.447 0.503 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cnn4c3OCCC4)CC2)C1 ZINC001046041189 766751351 /nfs/dbraw/zinc/75/13/51/766751351.db2.gz FQENKWGJHPHPCV-CQSZACIVSA-N 1 2 344.419 0.021 20 30 ECEDLO Cc1nn(C)c(C)c1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046049234 766782967 /nfs/dbraw/zinc/78/29/67/766782967.db2.gz LOFXXHFKAOCPKX-OAHLLOKOSA-N 1 2 330.436 0.393 20 30 ECEDLO Cc1n[nH]c(=O)c(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)c1C ZINC001046050765 766789476 /nfs/dbraw/zinc/78/94/76/766789476.db2.gz OQOCFTOPCWBZOJ-CQSZACIVSA-N 1 2 344.419 0.155 20 30 ECEDLO C[C@H](C#N)C(=O)N(C)CCOCCNc1ncnc2c1C[N@H+](C)CC2 ZINC001127258345 766836941 /nfs/dbraw/zinc/83/69/41/766836941.db2.gz CNCMSYPOAWPSGH-CYBMUJFWSA-N 1 2 346.435 0.511 20 30 ECEDLO C[C@H](C#N)C(=O)N(C)CCOCCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001127258345 766836952 /nfs/dbraw/zinc/83/69/52/766836952.db2.gz CNCMSYPOAWPSGH-CYBMUJFWSA-N 1 2 346.435 0.511 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)C3(CF)CCOCC3)CC2)C1 ZINC001046064030 766841750 /nfs/dbraw/zinc/84/17/50/766841750.db2.gz CWBHFTCZNLHNJF-HNNXBMFYSA-N 1 2 338.427 0.495 20 30 ECEDLO CC(C)c1cc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)[nH]n1 ZINC001046065285 766848499 /nfs/dbraw/zinc/84/84/99/766848499.db2.gz JWTVKTLZCPHFFQ-CQSZACIVSA-N 1 2 330.436 0.889 20 30 ECEDLO COc1nc(C)ccc1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046068202 766860209 /nfs/dbraw/zinc/86/02/09/766860209.db2.gz GRPWLTNPOXGWMH-HNNXBMFYSA-N 1 2 343.431 0.754 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)CCC3CCOCC3)CC2)C1 ZINC001046071069 766875163 /nfs/dbraw/zinc/87/51/63/766875163.db2.gz SCKFFCHMIHLROY-QGZVFWFLSA-N 1 2 334.464 0.935 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1cccc(C)c1=O)CO2 ZINC001053801161 766884070 /nfs/dbraw/zinc/88/40/70/766884070.db2.gz GGDFGCGZRCXVGF-OAHLLOKOSA-N 1 2 329.400 0.140 20 30 ECEDLO CO[C@H](C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1)C1CCCC1 ZINC001046081159 766918672 /nfs/dbraw/zinc/91/86/72/766918672.db2.gz WBXHVGFDBWENQK-SJORKVTESA-N 1 2 334.464 0.934 20 30 ECEDLO CC(C)c1nn(C)cc1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046084177 766923981 /nfs/dbraw/zinc/92/39/81/766923981.db2.gz LLMKJNATLUSJPH-HNNXBMFYSA-N 1 2 344.463 0.899 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3ncc4n3CCCC4)CC2)C1 ZINC001046084992 766925868 /nfs/dbraw/zinc/92/58/68/766925868.db2.gz CJYCIIMJZPNBGO-INIZCTEOSA-N 1 2 342.447 0.575 20 30 ECEDLO Cc1cc(=O)[nH]c(C)c1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046085326 766926348 /nfs/dbraw/zinc/92/63/48/766926348.db2.gz GYJZUSLUJHIKAN-HNNXBMFYSA-N 1 2 343.431 0.760 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1cc(C3CC3)nn1)CO2 ZINC001053826445 766951593 /nfs/dbraw/zinc/95/15/93/766951593.db2.gz ANFBHJRUJBWCIG-CQSZACIVSA-N 1 2 329.404 0.138 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3oc(C)nc3C)C[C@@H]2O)c1 ZINC001083765024 766998030 /nfs/dbraw/zinc/99/80/30/766998030.db2.gz JXBSJAKHJQITGI-CVEARBPZSA-N 1 2 340.383 0.643 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3oc(C)nc3C)C[C@@H]2O)c1 ZINC001083765024 766998035 /nfs/dbraw/zinc/99/80/35/766998035.db2.gz JXBSJAKHJQITGI-CVEARBPZSA-N 1 2 340.383 0.643 20 30 ECEDLO C#CCN1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3[nH+]c(C)[nH]c3C1)CO2 ZINC001053851427 767020502 /nfs/dbraw/zinc/02/05/02/767020502.db2.gz RTGVTIUXNLAZML-KBPBESRZSA-N 1 2 328.416 0.416 20 30 ECEDLO C#CCN1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3[nH]c(C)[nH+]c3C1)CO2 ZINC001053851427 767020510 /nfs/dbraw/zinc/02/05/10/767020510.db2.gz RTGVTIUXNLAZML-KBPBESRZSA-N 1 2 328.416 0.416 20 30 ECEDLO C=C(C)CN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)CO2 ZINC001053851742 767021842 /nfs/dbraw/zinc/02/18/42/767021842.db2.gz ZLIQFYXBKWHKSU-HUUCEWRRSA-N 1 2 330.432 0.981 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccnc3c1CC(=O)N3)CO2 ZINC001053857668 767042242 /nfs/dbraw/zinc/04/22/42/767042242.db2.gz KOSPPLJRBNLHRN-GFCCVEGCSA-N 1 2 342.399 0.725 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001060756178 767042806 /nfs/dbraw/zinc/04/28/06/767042806.db2.gz FVYBQJZWSZHVSR-JYJNAYRXSA-N 1 2 346.431 0.713 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cn3cccnc3n1)CO2 ZINC001053858159 767045933 /nfs/dbraw/zinc/04/59/33/767045933.db2.gz ZQDGDGYTEPNTJB-ZDUSSCGKSA-N 1 2 325.372 0.326 20 30 ECEDLO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)NC1=O ZINC001038590703 767174289 /nfs/dbraw/zinc/17/42/89/767174289.db2.gz BFBHFSHJPNBSHK-GWCFXTLKSA-N 1 2 333.417 0.334 20 30 ECEDLO CN1C[C@@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)NC1=O ZINC001038590703 767174291 /nfs/dbraw/zinc/17/42/91/767174291.db2.gz BFBHFSHJPNBSHK-GWCFXTLKSA-N 1 2 333.417 0.334 20 30 ECEDLO COc1ccc(C#N)cc1CN1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001031017270 767235465 /nfs/dbraw/zinc/23/54/65/767235465.db2.gz VDJLPYAUHILICA-UHFFFAOYSA-N 1 2 325.372 0.833 20 30 ECEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CCC(=O)NC3)C2)ccc1F ZINC001031804269 767236982 /nfs/dbraw/zinc/23/69/82/767236982.db2.gz VTZUPRQFMADIEH-CQSZACIVSA-N 1 2 344.390 0.772 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1OC ZINC001212337347 767253416 /nfs/dbraw/zinc/25/34/16/767253416.db2.gz JEQIGKQVJVBWRM-GRYCIOLGSA-N 1 2 329.828 0.469 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1OC ZINC001212337347 767253417 /nfs/dbraw/zinc/25/34/17/767253417.db2.gz JEQIGKQVJVBWRM-GRYCIOLGSA-N 1 2 329.828 0.469 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)cc1 ZINC001046532612 767284115 /nfs/dbraw/zinc/28/41/15/767284115.db2.gz YBKSMIRVHKYHCI-GOSISDBHSA-N 1 2 339.399 0.484 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)cc1 ZINC001046532612 767284117 /nfs/dbraw/zinc/28/41/17/767284117.db2.gz YBKSMIRVHKYHCI-GOSISDBHSA-N 1 2 339.399 0.484 20 30 ECEDLO C[C@@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046629101 767396566 /nfs/dbraw/zinc/39/65/66/767396566.db2.gz XCLNJDALEZSMPX-RVKKMQEKSA-N 1 2 344.390 0.899 20 30 ECEDLO C[C@@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046629101 767396572 /nfs/dbraw/zinc/39/65/72/767396572.db2.gz XCLNJDALEZSMPX-RVKKMQEKSA-N 1 2 344.390 0.899 20 30 ECEDLO N#Cc1nccc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC001046647025 767415170 /nfs/dbraw/zinc/41/51/70/767415170.db2.gz HVJNPFBDAUBRIE-YVECIDJPSA-N 1 2 337.387 0.604 20 30 ECEDLO N#Cc1nccc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)n1 ZINC001046647025 767415174 /nfs/dbraw/zinc/41/51/74/767415174.db2.gz HVJNPFBDAUBRIE-YVECIDJPSA-N 1 2 337.387 0.604 20 30 ECEDLO N#Cc1cccnc1NC[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001106158375 767424606 /nfs/dbraw/zinc/42/46/06/767424606.db2.gz RDIMAJDAVGPXCZ-JHJVBQTASA-N 1 2 326.360 0.369 20 30 ECEDLO N#Cc1cccnc1NC[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001106158375 767424613 /nfs/dbraw/zinc/42/46/13/767424613.db2.gz RDIMAJDAVGPXCZ-JHJVBQTASA-N 1 2 326.360 0.369 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@@H]2COC3(C[NH+](C[C@@H](C)O)C3)C2)cc1 ZINC001053946462 767424705 /nfs/dbraw/zinc/42/47/05/767424705.db2.gz WYWSRUWSAVSHRM-ZBFHGGJFSA-N 1 2 344.411 0.653 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3n[nH]c(=O)n3c1)CO2 ZINC001053955322 767444492 /nfs/dbraw/zinc/44/44/92/767444492.db2.gz IDQKEBGUJWIGQU-ZDUSSCGKSA-N 1 2 341.371 0.031 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)NC[C@H](O)CNc1ccc(C#N)cn1 ZINC001106171468 767468021 /nfs/dbraw/zinc/46/80/21/767468021.db2.gz AJAXXZWRKNMFKU-CQSZACIVSA-N 1 2 341.371 0.489 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cn(CC3CC3)nn1)CO2 ZINC001053969174 767488417 /nfs/dbraw/zinc/48/84/17/767488417.db2.gz HBWWCXDEXOMJGH-AWEZNQCLSA-N 1 2 331.420 0.837 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn3nccc3nc1C)CO2 ZINC001053970395 767492680 /nfs/dbraw/zinc/49/26/80/767492680.db2.gz LORYCTQBIAEYRE-CQSZACIVSA-N 1 2 339.399 0.634 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001053976534 767507571 /nfs/dbraw/zinc/50/75/71/767507571.db2.gz GVFKPJAJBRXQNJ-CQSZACIVSA-N 1 2 347.415 0.602 20 30 ECEDLO C=CCO[C@@H](C)C(=O)NCC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060464544 767508866 /nfs/dbraw/zinc/50/88/66/767508866.db2.gz ZVAYWPFXSRPOKD-KBPBESRZSA-N 1 2 334.420 0.898 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3nnn(C)c3c1)CO2 ZINC001053993537 767547634 /nfs/dbraw/zinc/54/76/34/767547634.db2.gz OEUQIBJCYZCDBM-CQSZACIVSA-N 1 2 339.399 0.565 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@H](C[N@H+](C)Cc2nnc3n2CCOC3)C1 ZINC001017076474 767554876 /nfs/dbraw/zinc/55/48/76/767554876.db2.gz HAWTYBXRSVYZEA-UONOGXRCSA-N 1 2 346.435 0.638 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@H](C[N@@H+](C)Cc2nnc3n2CCOC3)C1 ZINC001017076474 767554880 /nfs/dbraw/zinc/55/48/80/767554880.db2.gz HAWTYBXRSVYZEA-UONOGXRCSA-N 1 2 346.435 0.638 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)CN1CCCCCC1=O)CO2 ZINC001054001816 767566171 /nfs/dbraw/zinc/56/61/71/767566171.db2.gz LBYODIIUFKFSSH-HNNXBMFYSA-N 1 2 335.448 0.925 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3c[nH]nc3C1)CO2 ZINC001054015610 767605446 /nfs/dbraw/zinc/60/54/46/767605446.db2.gz LYJCWHGHZXSNCR-ZFWWWQNUSA-N 1 2 328.416 0.497 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C(N)=O)cn1)CO2 ZINC001054021499 767616295 /nfs/dbraw/zinc/61/62/95/767616295.db2.gz MWEJFGSVNGMWIM-CYBMUJFWSA-N 1 2 330.388 0.330 20 30 ECEDLO N#CCOc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)cc1 ZINC001017872163 768493150 /nfs/dbraw/zinc/49/31/50/768493150.db2.gz LMJLCBUGRKMIFH-OKILXGFUSA-N 1 2 328.372 0.249 20 30 ECEDLO N#CCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C(N)=O)cc1 ZINC001017872163 768493155 /nfs/dbraw/zinc/49/31/55/768493155.db2.gz LMJLCBUGRKMIFH-OKILXGFUSA-N 1 2 328.372 0.249 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC000993347038 768836067 /nfs/dbraw/zinc/83/60/67/768836067.db2.gz LKMQJDAZEPVAAK-AHIWAGSCSA-N 1 2 329.404 0.809 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000993347038 768836075 /nfs/dbraw/zinc/83/60/75/768836075.db2.gz LKMQJDAZEPVAAK-AHIWAGSCSA-N 1 2 329.404 0.809 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c([nH]c1=O)CCOC2 ZINC001018166864 768836183 /nfs/dbraw/zinc/83/61/83/768836183.db2.gz XZWKVRJRRZZPDC-OKILXGFUSA-N 1 2 327.384 0.782 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c([nH]c1=O)CCOC2 ZINC001018166864 768836194 /nfs/dbraw/zinc/83/61/94/768836194.db2.gz XZWKVRJRRZZPDC-OKILXGFUSA-N 1 2 327.384 0.782 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@H](CC)OC)C2)CC1 ZINC001018357877 769182607 /nfs/dbraw/zinc/18/26/07/769182607.db2.gz JCABOWWJBNJLHF-HOTGVXAUSA-N 1 2 337.464 0.980 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@H]3CCCO3)C2)CC1 ZINC001018358694 769185619 /nfs/dbraw/zinc/18/56/19/769185619.db2.gz UWOFJARUCDXENC-HZPDHXFCSA-N 1 2 335.448 0.734 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)C[C@H]3CCOC3)C2)CC1 ZINC001018364893 769207739 /nfs/dbraw/zinc/20/77/39/769207739.db2.gz XKKPKKFKQIBGAK-SJORKVTESA-N 1 2 349.475 0.982 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(C)=O)C[C@H]1c1c[nH+]cn1C ZINC000993576293 769281063 /nfs/dbraw/zinc/28/10/63/769281063.db2.gz QLLHPFIGHXCMDA-KQTLUZQSSA-N 1 2 332.404 0.442 20 30 ECEDLO CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000993566440 769326468 /nfs/dbraw/zinc/32/64/68/769326468.db2.gz HCFZSTJVPWDFSD-TZMCWYRMSA-N 1 2 326.360 0.364 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C2(C)CC2)C1 ZINC000993629675 769441974 /nfs/dbraw/zinc/44/19/74/769441974.db2.gz CVFFXWZPKHQXSF-JHJVBQTASA-N 1 2 329.404 0.790 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2nnn(C)n2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000993688147 769518763 /nfs/dbraw/zinc/51/87/63/769518763.db2.gz NCPAYUSWRGCBIX-GXFFZTMASA-N 1 2 345.432 0.926 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2nnn(C)n2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000993688147 769518769 /nfs/dbraw/zinc/51/87/69/769518769.db2.gz NCPAYUSWRGCBIX-GXFFZTMASA-N 1 2 345.432 0.926 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2nc(C3CC3)no2)C1 ZINC001078358261 782767307 /nfs/dbraw/zinc/76/73/07/782767307.db2.gz MZGMTFUVOIIUHC-WCQYABFASA-N 1 2 333.392 0.814 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CCN(c2ccc(C#N)nn2)CC1 ZINC001055876067 770060710 /nfs/dbraw/zinc/06/07/10/770060710.db2.gz WWFFVNFMXZDJHF-UHFFFAOYSA-N 1 2 325.376 0.363 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1C ZINC000994192926 770282177 /nfs/dbraw/zinc/28/21/77/770282177.db2.gz HROXLXPGNJUGQR-FMKPAKJESA-N 1 2 343.431 0.332 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1C ZINC000994192926 770282181 /nfs/dbraw/zinc/28/21/81/770282181.db2.gz HROXLXPGNJUGQR-FMKPAKJESA-N 1 2 343.431 0.332 20 30 ECEDLO CC(C)(C)C#CC(=O)N[C@@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001055939565 770295615 /nfs/dbraw/zinc/29/56/15/770295615.db2.gz CJRGSKWRJRZXLK-SFHVURJKSA-N 1 2 346.431 0.471 20 30 ECEDLO C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001056024317 770597451 /nfs/dbraw/zinc/59/74/51/770597451.db2.gz BQPUYOFPPGIBOG-QGZVFWFLSA-N 1 2 334.420 0.709 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N1CCN(c2ccnc(C#N)n2)CC1 ZINC001056067741 770733566 /nfs/dbraw/zinc/73/35/66/770733566.db2.gz JNXRZZKSBRMCIE-UHFFFAOYSA-N 1 2 338.371 0.643 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC2(C)CCCC2)[C@H](OC)C1 ZINC001212223145 770889034 /nfs/dbraw/zinc/88/90/34/770889034.db2.gz IIJJLYSHVWPGEB-HUUCEWRRSA-N 1 2 335.448 0.522 20 30 ECEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC2(C)CCCC2)[C@H](OC)C1 ZINC001212223145 770889041 /nfs/dbraw/zinc/88/90/41/770889041.db2.gz IIJJLYSHVWPGEB-HUUCEWRRSA-N 1 2 335.448 0.522 20 30 ECEDLO Cc1cc(C#N)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2c[nH+]cn2C)n1 ZINC001056255538 771048382 /nfs/dbraw/zinc/04/83/82/771048382.db2.gz YBRGNXVJDIPXPD-FOLVSLTJSA-N 1 2 337.387 0.184 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)[nH]1 ZINC000994560788 771112558 /nfs/dbraw/zinc/11/25/58/771112558.db2.gz GZQODWKEGFQSKH-NSHDSACASA-N 1 2 338.371 0.286 20 30 ECEDLO C#CCCCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001056372543 771193179 /nfs/dbraw/zinc/19/31/79/771193179.db2.gz AOSUMYLAICRZCI-ZACQAIPSSA-N 1 2 347.459 0.712 20 30 ECEDLO C#CCCCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001056372543 771193182 /nfs/dbraw/zinc/19/31/82/771193182.db2.gz AOSUMYLAICRZCI-ZACQAIPSSA-N 1 2 347.459 0.712 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001019366478 771211397 /nfs/dbraw/zinc/21/13/97/771211397.db2.gz FHUCFWBTZAFRGC-QWHCGFSZSA-N 1 2 329.404 0.809 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001019366478 771211400 /nfs/dbraw/zinc/21/14/00/771211400.db2.gz FHUCFWBTZAFRGC-QWHCGFSZSA-N 1 2 329.404 0.809 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056401105 771225120 /nfs/dbraw/zinc/22/51/20/771225120.db2.gz AOUXJVKJPMJNDJ-CABCVRRESA-N 1 2 344.415 0.584 20 30 ECEDLO Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2c[nH]c[nH+]2)c1C#N ZINC001056428435 771256505 /nfs/dbraw/zinc/25/65/05/771256505.db2.gz LLMADGQGPALESQ-IMRBUKKESA-N 1 2 328.401 0.840 20 30 ECEDLO N#CCSCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001056455258 771285818 /nfs/dbraw/zinc/28/58/18/771285818.db2.gz AZXUQHCWEWLVOO-KGLIPLIRSA-N 1 2 347.444 0.732 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCc4[nH+]ccn4C3)C2)cn1 ZINC000994604103 771291568 /nfs/dbraw/zinc/29/15/68/771291568.db2.gz ULEKHDWLZWHPPC-AWEZNQCLSA-N 1 2 349.394 0.463 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056526630 771354171 /nfs/dbraw/zinc/35/41/71/771354171.db2.gz HGWFUOLJJMGGEE-LSDHHAIUSA-N 1 2 344.415 0.584 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nc(CC)no3)C2)nn1 ZINC001019494001 771359246 /nfs/dbraw/zinc/35/92/46/771359246.db2.gz WBXQDJPESCMLBY-LBPRGKRZSA-N 1 2 345.407 0.804 20 30 ECEDLO CN(CCOCCNc1ccc(C#N)nn1)C(=O)Cc1c[nH+]c[nH]1 ZINC001127504812 771379398 /nfs/dbraw/zinc/37/93/98/771379398.db2.gz CADLRQVVFSQURF-UHFFFAOYSA-N 1 2 329.364 0.201 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(c2cc[nH+]c(C)n2)CCCO1 ZINC001089546839 771443851 /nfs/dbraw/zinc/44/38/51/771443851.db2.gz MUCNAYKFRWVRLR-DZGCQCFKSA-N 1 2 332.404 0.535 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CCNC(=O)C3)C2)c(F)c1 ZINC001031613118 771452846 /nfs/dbraw/zinc/45/28/46/771452846.db2.gz KNDJNPHITCEDTN-AWEZNQCLSA-N 1 2 344.390 0.772 20 30 ECEDLO N#Cc1nccc(N2CCCO[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001089549110 771455940 /nfs/dbraw/zinc/45/59/40/771455940.db2.gz RYGJKGQJEWWUSK-LBPRGKRZSA-N 1 2 341.375 0.026 20 30 ECEDLO COc1ccc(C[NH+]2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001031620581 771476360 /nfs/dbraw/zinc/47/63/60/771476360.db2.gz MYZYQPXETXJFHF-UHFFFAOYSA-N 1 2 326.360 0.547 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NC1CN(C(=O)C#CC3CC3)C1)C2 ZINC000994623834 771478143 /nfs/dbraw/zinc/47/81/43/771478143.db2.gz HCGKISSQCAJRAN-ZDUSSCGKSA-N 1 2 326.400 0.563 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NC1CN(C(=O)C#CC3CC3)C1)CC2 ZINC000994623834 771478148 /nfs/dbraw/zinc/47/81/48/771478148.db2.gz HCGKISSQCAJRAN-ZDUSSCGKSA-N 1 2 326.400 0.563 20 30 ECEDLO N#Cc1cnccc1N1CCCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001089558402 771482407 /nfs/dbraw/zinc/48/24/07/771482407.db2.gz NMXGITUULFFJLQ-OAHLLOKOSA-N 1 2 340.387 0.631 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001056666539 771489692 /nfs/dbraw/zinc/48/96/92/771489692.db2.gz SEZBQIGMFGLBFY-OWCLPIDISA-N 1 2 344.415 0.371 20 30 ECEDLO CO[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212244138 771501739 /nfs/dbraw/zinc/50/17/39/771501739.db2.gz GOOVGJMZUWYYDC-HZPDHXFCSA-N 1 2 333.432 0.228 20 30 ECEDLO CO[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212244138 771501743 /nfs/dbraw/zinc/50/17/43/771501743.db2.gz GOOVGJMZUWYYDC-HZPDHXFCSA-N 1 2 333.432 0.228 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001056682846 771510397 /nfs/dbraw/zinc/51/03/97/771510397.db2.gz PWKOUYBWNKLUJT-OWCLPIDISA-N 1 2 344.415 0.371 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001056783973 771636603 /nfs/dbraw/zinc/63/66/03/771636603.db2.gz SBLWCRAWZYZNFC-MCIONIFRSA-N 1 2 346.435 0.850 20 30 ECEDLO CN(c1ncnc2c1C[N@H+](C)CC2)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001056911552 771799607 /nfs/dbraw/zinc/79/96/07/771799607.db2.gz ILTFEFSHCDGPGF-HNNXBMFYSA-N 1 2 339.443 0.915 20 30 ECEDLO CN(c1ncnc2c1C[N@@H+](C)CC2)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001056911552 771799610 /nfs/dbraw/zinc/79/96/10/771799610.db2.gz ILTFEFSHCDGPGF-HNNXBMFYSA-N 1 2 339.443 0.915 20 30 ECEDLO CN(c1nccnc1C#N)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001056998494 771926803 /nfs/dbraw/zinc/92/68/03/771926803.db2.gz YWUCRCCMOCXAKG-ZDUSSCGKSA-N 1 2 325.376 0.672 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](N(C)c2ccc(C#N)nn2)C1 ZINC001057046511 771991236 /nfs/dbraw/zinc/99/12/36/771991236.db2.gz CPZOTTCPFMLYFV-DOMZBBRYSA-N 1 2 339.403 0.987 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](N(C)c2ccc(C#N)nn2)C1 ZINC001057046511 771991238 /nfs/dbraw/zinc/99/12/38/771991238.db2.gz CPZOTTCPFMLYFV-DOMZBBRYSA-N 1 2 339.403 0.987 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CCCN(c2cncc(C#N)n2)CC1 ZINC001057165347 772202751 /nfs/dbraw/zinc/20/27/51/772202751.db2.gz PHCJSDYFYBYMJS-UHFFFAOYSA-N 1 2 339.403 0.753 20 30 ECEDLO C#CCCCCC(=O)NCCN(CCO)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001057711106 772934571 /nfs/dbraw/zinc/93/45/71/772934571.db2.gz JCXRMLWPYUSRRX-HNNXBMFYSA-N 1 2 348.447 0.719 20 30 ECEDLO C#CCCCCC(=O)NCCN(CCO)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001057711106 772934574 /nfs/dbraw/zinc/93/45/74/772934574.db2.gz JCXRMLWPYUSRRX-HNNXBMFYSA-N 1 2 348.447 0.719 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N(CCO)CCNC(=O)C#CC(C)C ZINC001057971841 773312171 /nfs/dbraw/zinc/31/21/71/773312171.db2.gz GWHIANVSLHCRDJ-UHFFFAOYSA-N 1 2 347.415 0.229 20 30 ECEDLO C[C@H](Nc1ccnc(C#N)n1)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001058025350 773382624 /nfs/dbraw/zinc/38/26/24/773382624.db2.gz AJNJTLIDRZVLSY-GXTWGEPZSA-N 1 2 339.403 0.917 20 30 ECEDLO C=CCC(C)(C)C(=O)NCCN(CCO)C(=O)Cc1c[nH+]cn1C ZINC001058159473 773663281 /nfs/dbraw/zinc/66/32/81/773663281.db2.gz KLPUBMYKFQGTOR-UHFFFAOYSA-N 1 2 336.436 0.502 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)CCn1cc[nH+]c1 ZINC001058200595 773758378 /nfs/dbraw/zinc/75/83/78/773758378.db2.gz MPXUOOFWUJWTNR-CABCVRRESA-N 1 2 336.436 0.669 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040624947 783128288 /nfs/dbraw/zinc/12/82/88/783128288.db2.gz JZJILGGTACDEBE-DYVFJYSZSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)Cc1[nH]c[nH+]c1C ZINC001058263781 773876005 /nfs/dbraw/zinc/87/60/05/773876005.db2.gz ZYFHESYPFIZAOE-CYBMUJFWSA-N 1 2 336.436 0.800 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NC[C@]1(O)CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001040629176 783133918 /nfs/dbraw/zinc/13/39/18/783133918.db2.gz HECNFLKCOLIOGW-KBXCAEBGSA-N 1 2 348.447 0.645 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NC[C@]1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001040631140 783137981 /nfs/dbraw/zinc/13/79/81/783137981.db2.gz ZDFNORFMRAUCRB-SUMWQHHRSA-N 1 2 334.420 0.634 20 30 ECEDLO N#Cc1ccc(N2CC[C@H](NC(=O)[C@H]3CCc4[nH+]ccn4C3)C2)nn1 ZINC001058480859 774270680 /nfs/dbraw/zinc/27/06/80/774270680.db2.gz CPQSCPDRBRFLKL-JSGCOSHPSA-N 1 2 337.387 0.502 20 30 ECEDLO C=CCCCC(=O)N(CCO)CCNC(=O)CCCn1cc[nH+]c1 ZINC001058626359 774564818 /nfs/dbraw/zinc/56/48/18/774564818.db2.gz GEKLAGXBEYBSKP-UHFFFAOYSA-N 1 2 336.436 0.957 20 30 ECEDLO CN(C)c1noc(C[NH2+]C[C@@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)n1 ZINC001045002978 774821690 /nfs/dbraw/zinc/82/16/90/774821690.db2.gz ZGPWXWQQIQSXIK-ZDUSSCGKSA-N 1 2 343.391 0.730 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001045068497 774927467 /nfs/dbraw/zinc/92/74/67/774927467.db2.gz GHWKIXJDYDQZQQ-AWEZNQCLSA-N 1 2 348.447 0.645 20 30 ECEDLO N#Cc1nccnc1N1CC[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC001045091851 774963025 /nfs/dbraw/zinc/96/30/25/774963025.db2.gz FKKGXRVMPYPWLT-JSGCOSHPSA-N 1 2 337.387 0.741 20 30 ECEDLO C=CCCCC(=O)NCC1(O)CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001045454995 775631198 /nfs/dbraw/zinc/63/11/98/775631198.db2.gz IUZKJHWQYRLOSA-UHFFFAOYSA-N 1 2 334.420 0.399 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2nccc3[nH]ccc32)[C@@H](n2ccnn2)C1 ZINC001070029151 790385233 /nfs/dbraw/zinc/38/52/33/790385233.db2.gz XMHHPSALGWXXOM-CVEARBPZSA-N 1 2 349.398 0.833 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2nccc3[nH]ccc32)[C@@H](n2ccnn2)C1 ZINC001070029151 790385240 /nfs/dbraw/zinc/38/52/40/790385240.db2.gz XMHHPSALGWXXOM-CVEARBPZSA-N 1 2 349.398 0.833 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001044141348 775776441 /nfs/dbraw/zinc/77/64/41/775776441.db2.gz LVLPDODHHGUMHE-KGLIPLIRSA-N 1 2 334.420 0.421 20 30 ECEDLO C=CCn1cc(C(=O)NC2(C)CC[NH+](Cc3nc(C)no3)CC2)nn1 ZINC001045580647 775828850 /nfs/dbraw/zinc/82/88/50/775828850.db2.gz KYCWGHGPNDEEBJ-UHFFFAOYSA-N 1 2 345.407 0.940 20 30 ECEDLO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001044475658 776336681 /nfs/dbraw/zinc/33/66/81/776336681.db2.gz XPICNQQTJYJAAR-CYBMUJFWSA-N 1 2 346.431 0.347 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)C(=O)N2CCC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070046742 790442338 /nfs/dbraw/zinc/44/23/38/790442338.db2.gz MAODOWWTXWKEFH-ZNMIVQPWSA-N 1 2 346.435 0.064 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)C(=O)N2CCC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070046742 790442343 /nfs/dbraw/zinc/44/23/43/790442343.db2.gz MAODOWWTXWKEFH-ZNMIVQPWSA-N 1 2 346.435 0.064 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCO[C@H]2C(=C)C)[C@@H](n2ccnn2)C1 ZINC001070051648 790456880 /nfs/dbraw/zinc/45/68/80/790456880.db2.gz IJRGQCZSGNELNX-FZKCQIBNSA-N 1 2 329.404 0.234 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCO[C@H]2C(=C)C)[C@@H](n2ccnn2)C1 ZINC001070051648 790456892 /nfs/dbraw/zinc/45/68/92/790456892.db2.gz IJRGQCZSGNELNX-FZKCQIBNSA-N 1 2 329.404 0.234 20 30 ECEDLO C=CCCCC(=O)N1CC(O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001044667471 776608654 /nfs/dbraw/zinc/60/86/54/776608654.db2.gz WAWKJEMQILRTEA-UHFFFAOYSA-N 1 2 334.420 0.399 20 30 ECEDLO CC#CCCCC(=O)N1CC(O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001044672504 776615240 /nfs/dbraw/zinc/61/52/40/776615240.db2.gz DRMLTHIFJKHHMF-UHFFFAOYSA-N 1 2 346.431 0.236 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001079687033 776685427 /nfs/dbraw/zinc/68/54/27/776685427.db2.gz OMCWRRDKJXURPI-QGZVFWFLSA-N 1 2 334.420 0.349 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C1CS(=O)(=O)C1 ZINC001079756087 776814923 /nfs/dbraw/zinc/81/49/23/776814923.db2.gz GDCXKKWKCLOLPI-MLGOLLRUSA-N 1 2 347.440 0.539 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C1CS(=O)(=O)C1 ZINC001079756087 776814933 /nfs/dbraw/zinc/81/49/33/776814933.db2.gz GDCXKKWKCLOLPI-MLGOLLRUSA-N 1 2 347.440 0.539 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001079793064 776879239 /nfs/dbraw/zinc/87/92/39/776879239.db2.gz QDXVDCDYHDVCCU-HUUCEWRRSA-N 1 2 346.431 0.932 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N(CC)C(=O)Cn2cc[nH+]c2)C1 ZINC001080034594 777275599 /nfs/dbraw/zinc/27/55/99/777275599.db2.gz BOCVMHBACWKMEY-RDJZCZTQSA-N 1 2 346.431 0.924 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](C[C@@H](O)Cn3cccn3)C2)cc1 ZINC001043506189 778432168 /nfs/dbraw/zinc/43/21/68/778432168.db2.gz RFUDRXJUSIFTJE-GOSISDBHSA-N 1 2 338.411 0.682 20 30 ECEDLO CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001043524440 778464148 /nfs/dbraw/zinc/46/41/48/778464148.db2.gz HWFXGCGOYFFKIE-UHFFFAOYSA-N 1 2 332.404 0.081 20 30 ECEDLO CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001043524440 778464151 /nfs/dbraw/zinc/46/41/51/778464151.db2.gz HWFXGCGOYFFKIE-UHFFFAOYSA-N 1 2 332.404 0.081 20 30 ECEDLO CC(C)C#CC(=O)NC1(CNC(=O)CCn2cc[nH+]c2)CCOCC1 ZINC001070108872 790631579 /nfs/dbraw/zinc/63/15/79/790631579.db2.gz UMVQGXTVLWRHCP-UHFFFAOYSA-N 1 2 346.431 0.714 20 30 ECEDLO C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001043622286 778611568 /nfs/dbraw/zinc/61/15/68/778611568.db2.gz JPHMEJGEZAGOEL-ZDUSSCGKSA-N 1 2 332.404 0.101 20 30 ECEDLO CCc1nc(N2C[C@H]3OCCN(C(=O)[C@@H](C)C#N)[C@H]3C2)cc(C)[nH+]1 ZINC001043680660 778712607 /nfs/dbraw/zinc/71/26/07/778712607.db2.gz KELXIADVLXLFFK-FPMFFAJLSA-N 1 2 329.404 0.923 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001043701024 778743904 /nfs/dbraw/zinc/74/39/04/778743904.db2.gz XAVZBMYNYZWMTM-GJZGRUSLSA-N 1 2 348.447 0.811 20 30 ECEDLO N#Cc1ccc(N2C[C@H]3OCCN(C(=O)Cn4cc[nH+]c4)[C@H]3C2)cn1 ZINC001043729395 778783712 /nfs/dbraw/zinc/78/37/12/778783712.db2.gz UTJAYAVRAQSCLU-JKSUJKDBSA-N 1 2 338.371 0.266 20 30 ECEDLO N#Cc1cnccc1N1C[C@H]2OCCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC001043804895 778892635 /nfs/dbraw/zinc/89/26/35/778892635.db2.gz MDEBUDHIGRAPPU-JKSUJKDBSA-N 1 2 338.371 0.335 20 30 ECEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)O1 ZINC001068620451 790729309 /nfs/dbraw/zinc/72/93/09/790729309.db2.gz MTDMFFYSTQAYKY-STQMWFEESA-N 1 2 345.403 0.378 20 30 ECEDLO CC(C)C#CC(=O)NCC1(NC(=O)CCc2c[nH]c[nH+]2)CCOCC1 ZINC001070147470 790752369 /nfs/dbraw/zinc/75/23/69/790752369.db2.gz JEWRMKCPOXKUGM-UHFFFAOYSA-N 1 2 346.431 0.783 20 30 ECEDLO CC(C)C#CC(=O)NCC1(NC(=O)CCc2c[nH+]c[nH]2)CCOCC1 ZINC001070147470 790752377 /nfs/dbraw/zinc/75/23/77/790752377.db2.gz JEWRMKCPOXKUGM-UHFFFAOYSA-N 1 2 346.431 0.783 20 30 ECEDLO CN(C(=O)CSCC#N)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001078837112 780549041 /nfs/dbraw/zinc/54/90/41/780549041.db2.gz YFRMQKRLVLYQBY-AWEZNQCLSA-N 1 2 349.460 0.979 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001078962581 780657473 /nfs/dbraw/zinc/65/74/73/780657473.db2.gz TYDZNWAXYNQMAA-GJZGRUSLSA-N 1 2 346.431 0.830 20 30 ECEDLO C=CCCC(=O)N1CC[NH+](CCCCCNC(=O)c2ncn[nH]2)CC1 ZINC001079162794 780841984 /nfs/dbraw/zinc/84/19/84/780841984.db2.gz BAKAONOPDKUURD-UHFFFAOYSA-N 1 2 348.451 0.815 20 30 ECEDLO C=CCCC(=O)N1CC[NH+](CCCCCNC(=O)c2nc[nH]n2)CC1 ZINC001079162794 780841998 /nfs/dbraw/zinc/84/19/98/780841998.db2.gz BAKAONOPDKUURD-UHFFFAOYSA-N 1 2 348.451 0.815 20 30 ECEDLO CO[C@@H]1CN(c2ccc(C#N)nc2)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001042869337 780967202 /nfs/dbraw/zinc/96/72/02/780967202.db2.gz QXYOYPUAOBZZRU-HZPDHXFCSA-N 1 2 340.387 0.547 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001079398528 781075393 /nfs/dbraw/zinc/07/53/93/781075393.db2.gz VUSKBRPYBQUVHQ-PSASIEDQSA-N 1 2 329.202 0.018 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001079398528 781075401 /nfs/dbraw/zinc/07/54/01/781075401.db2.gz VUSKBRPYBQUVHQ-PSASIEDQSA-N 1 2 329.202 0.018 20 30 ECEDLO C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001043067244 781267188 /nfs/dbraw/zinc/26/71/88/781267188.db2.gz AKIPTAHVRDQFMN-ZDUSSCGKSA-N 1 2 348.447 0.880 20 30 ECEDLO C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001043067244 781267191 /nfs/dbraw/zinc/26/71/91/781267191.db2.gz AKIPTAHVRDQFMN-ZDUSSCGKSA-N 1 2 348.447 0.880 20 30 ECEDLO CN(c1cncc(C#N)n1)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001068684780 790897491 /nfs/dbraw/zinc/89/74/91/790897491.db2.gz KWRAAKKAXBBSJT-UHFFFAOYSA-N 1 2 339.403 0.752 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)cccc2NC(N)=O)C1 ZINC001077754727 781648178 /nfs/dbraw/zinc/64/81/78/781648178.db2.gz QALCJJKHAZTUNW-CHWSQXEVSA-N 1 2 334.351 0.115 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(F)cccc2NC(N)=O)C1 ZINC001077754727 781648187 /nfs/dbraw/zinc/64/81/87/781648187.db2.gz QALCJJKHAZTUNW-CHWSQXEVSA-N 1 2 334.351 0.115 20 30 ECEDLO N#Cc1ccc(NC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CCCO2)nc1 ZINC001041504226 781648478 /nfs/dbraw/zinc/64/84/78/781648478.db2.gz CGPBVDGRKLOSLD-OAHLLOKOSA-N 1 2 340.387 0.879 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCc1[nH+]ccn1C ZINC001077793177 781707085 /nfs/dbraw/zinc/70/70/85/781707085.db2.gz VCKBEZCQXRMKIK-ZNMIVQPWSA-N 1 2 348.447 0.955 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@H]2O)nn1 ZINC001077801154 781722307 /nfs/dbraw/zinc/72/23/07/781722307.db2.gz FKQLQZAMWYQXKW-MWLCHTKSSA-N 1 2 333.314 0.191 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCC(F)(F)F)C[C@H]2O)nn1 ZINC001077801154 781722310 /nfs/dbraw/zinc/72/23/10/781722310.db2.gz FKQLQZAMWYQXKW-MWLCHTKSSA-N 1 2 333.314 0.191 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1O ZINC001077821973 781759099 /nfs/dbraw/zinc/75/90/99/781759099.db2.gz QXMFVLAOBPJIKY-HZMVEIRTSA-N 1 2 331.416 0.724 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1O ZINC001077821973 781759101 /nfs/dbraw/zinc/75/91/01/781759101.db2.gz QXMFVLAOBPJIKY-HZMVEIRTSA-N 1 2 331.416 0.724 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3nccs3)C2)cc1 ZINC001077884485 781874170 /nfs/dbraw/zinc/87/41/70/781874170.db2.gz MEWZQBCOZFRAJQ-ZIAGYGMSSA-N 1 2 328.397 0.990 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3nccs3)C2)cc1 ZINC001077884485 781874178 /nfs/dbraw/zinc/87/41/78/781874178.db2.gz MEWZQBCOZFRAJQ-ZIAGYGMSSA-N 1 2 328.397 0.990 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NC[C@]1(O)CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001040813328 783490126 /nfs/dbraw/zinc/49/01/26/783490126.db2.gz PEJSCNNKZLUFIU-QZTJIDSGSA-N 1 2 348.447 0.645 20 30 ECEDLO C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCOCC1 ZINC001070233697 783711290 /nfs/dbraw/zinc/71/12/90/783711290.db2.gz CHLSVRDEQPMMJL-YNEHKIRRSA-N 1 2 345.403 0.454 20 30 ECEDLO C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCOCC1 ZINC001070233697 783711295 /nfs/dbraw/zinc/71/12/95/783711295.db2.gz CHLSVRDEQPMMJL-YNEHKIRRSA-N 1 2 345.403 0.454 20 30 ECEDLO C#CC[N@H+]1C[C@@H](c2nc(CNC(=O)c3cn[nH]c3)n[nH]2)[C@H](C2CC2)C1 ZINC001070351225 783863686 /nfs/dbraw/zinc/86/36/86/783863686.db2.gz NGYBNCIYJFDEJP-UONOGXRCSA-N 1 2 339.403 0.516 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](c2nc(CNC(=O)c3cn[nH]c3)n[nH]2)[C@H](C2CC2)C1 ZINC001070351225 783863693 /nfs/dbraw/zinc/86/36/93/783863693.db2.gz NGYBNCIYJFDEJP-UONOGXRCSA-N 1 2 339.403 0.516 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001038131676 783896615 /nfs/dbraw/zinc/89/66/15/783896615.db2.gz ADJZYCTXTPYFMK-DZGCQCFKSA-N 1 2 327.388 0.477 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001038131676 783896619 /nfs/dbraw/zinc/89/66/19/783896619.db2.gz ADJZYCTXTPYFMK-DZGCQCFKSA-N 1 2 327.388 0.477 20 30 ECEDLO C=CC[NH+]1CC2(C1)CN(C(=O)c1cc(C)n[nH]1)C[C@H]2c1nnc(C)[nH]1 ZINC001070441960 784083216 /nfs/dbraw/zinc/08/32/16/784083216.db2.gz AAYSVIHBURYBNI-ZDUSSCGKSA-N 1 2 341.419 0.872 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cocn2)C1 ZINC001070906689 784091856 /nfs/dbraw/zinc/09/18/56/784091856.db2.gz GTZDGBQQSBVPTR-YUTCNCBUSA-N 1 2 332.360 0.580 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cocn2)C1 ZINC001070906689 784091862 /nfs/dbraw/zinc/09/18/62/784091862.db2.gz GTZDGBQQSBVPTR-YUTCNCBUSA-N 1 2 332.360 0.580 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1cn(C)cn1)C[C@H]2c1nnc(C)[nH]1 ZINC001070444123 784092838 /nfs/dbraw/zinc/09/28/38/784092838.db2.gz IIFPWJRPMZSNFR-ZDUSSCGKSA-N 1 2 339.403 0.021 20 30 ECEDLO CC#CC[NH+]1CC2(C1)CN(C(=O)c1cnco1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070447374 784102718 /nfs/dbraw/zinc/10/27/18/784102718.db2.gz JLIQNHUEHFQXBI-CYBMUJFWSA-N 1 2 340.387 0.666 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC13CC3)C[C@@H]2c1nnc(C)[nH]1 ZINC001070449574 784107061 /nfs/dbraw/zinc/10/70/61/784107061.db2.gz SZJAGABOWXDBER-UONOGXRCSA-N 1 2 325.416 0.774 20 30 ECEDLO Cn1cnc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2[NH2+]Cc2cnon2)c1 ZINC001070491733 784184238 /nfs/dbraw/zinc/18/42/38/784184238.db2.gz CCUPGNFPPDPJBN-GOEBONIOSA-N 1 2 340.387 0.301 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2C(=O)OC)CC1 ZINC001070946053 784190051 /nfs/dbraw/zinc/19/00/51/784190051.db2.gz PDKURSLMONHCJT-ZIAGYGMSSA-N 1 2 337.420 0.022 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2C(=O)OC)CC1 ZINC001070946053 784190054 /nfs/dbraw/zinc/19/00/54/784190054.db2.gz PDKURSLMONHCJT-ZIAGYGMSSA-N 1 2 337.420 0.022 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C2(c3ccccn3)CC2)CC1 ZINC001070963516 784245415 /nfs/dbraw/zinc/24/54/15/784245415.db2.gz VAGYIYLRAYZIFR-UHFFFAOYSA-N 1 2 342.443 0.950 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C2(c3ccccn3)CC2)CC1 ZINC001070963516 784245420 /nfs/dbraw/zinc/24/54/20/784245420.db2.gz VAGYIYLRAYZIFR-UHFFFAOYSA-N 1 2 342.443 0.950 20 30 ECEDLO C[C@@H](CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCC#N)C1)n1cc[nH+]c1 ZINC001070541865 784245608 /nfs/dbraw/zinc/24/56/08/784245608.db2.gz HTQRIUUAMXMIOE-OFQRWUPVSA-N 1 2 341.419 0.675 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCO[C@H]2C=C)CC1 ZINC001070964454 784247746 /nfs/dbraw/zinc/24/77/46/784247746.db2.gz JJFPYLRWVMURKB-CVEARBPZSA-N 1 2 335.448 0.804 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCO[C@H]2C=C)CC1 ZINC001070964454 784247756 /nfs/dbraw/zinc/24/77/56/784247756.db2.gz JJFPYLRWVMURKB-CVEARBPZSA-N 1 2 335.448 0.804 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccnn2C(C)C)CC1 ZINC001070966637 784254381 /nfs/dbraw/zinc/25/43/81/784254381.db2.gz GJBXJAWNWGOXGL-UHFFFAOYSA-N 1 2 345.447 0.751 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccnn2C(C)C)CC1 ZINC001070966637 784254388 /nfs/dbraw/zinc/25/43/88/784254388.db2.gz GJBXJAWNWGOXGL-UHFFFAOYSA-N 1 2 345.447 0.751 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001070980049 784306853 /nfs/dbraw/zinc/30/68/53/784306853.db2.gz MTYLYXJBVJPYFP-YQQAZPJKSA-N 1 2 335.448 0.638 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001070980049 784306860 /nfs/dbraw/zinc/30/68/60/784306860.db2.gz MTYLYXJBVJPYFP-YQQAZPJKSA-N 1 2 335.448 0.638 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCc3nn[nH]c32)CC1 ZINC001070991500 784341750 /nfs/dbraw/zinc/34/17/50/784341750.db2.gz VSWNLFNKECYKRK-CYBMUJFWSA-N 1 2 346.435 0.061 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCc3nn[nH]c32)CC1 ZINC001070991500 784341759 /nfs/dbraw/zinc/34/17/59/784341759.db2.gz VSWNLFNKECYKRK-CYBMUJFWSA-N 1 2 346.435 0.061 20 30 ECEDLO Cc1nc(C)c(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)o1 ZINC001070632369 784465230 /nfs/dbraw/zinc/46/52/30/784465230.db2.gz VGVNTSMTQKLIOD-CHWSQXEVSA-N 1 2 328.376 0.746 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)Cc2cscn2)C[C@H]1NCC#N ZINC001070699087 784565880 /nfs/dbraw/zinc/56/58/80/784565880.db2.gz IFYHGAMZBBITFE-CHWSQXEVSA-N 1 2 330.417 0.527 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cnn(C(F)F)c2)C[C@H]1NCC#N ZINC001070705357 784572486 /nfs/dbraw/zinc/57/24/86/784572486.db2.gz RIHFHYRTXRGOOX-VXGBXAGGSA-N 1 2 349.345 0.733 20 30 ECEDLO Cc1nc(CC(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)cs1 ZINC001070717066 784591159 /nfs/dbraw/zinc/59/11/59/784591159.db2.gz POAMLGLSBGKQHN-ZIAGYGMSSA-N 1 2 344.444 0.835 20 30 ECEDLO CCc1ncncc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070718790 784592985 /nfs/dbraw/zinc/59/29/85/784592985.db2.gz IXCASODGQAZBMM-UKRRQHHQSA-N 1 2 339.403 0.494 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001070730274 784615931 /nfs/dbraw/zinc/61/59/31/784615931.db2.gz BBSVTEUPOJMGLS-LSDHHAIUSA-N 1 2 346.431 0.498 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1ncnn1)C[C@H](C)O2 ZINC001071169311 784647755 /nfs/dbraw/zinc/64/77/55/784647755.db2.gz PAGWKNLHIAGQJW-JSGCOSHPSA-N 1 2 340.815 0.117 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1ncnn1)C[C@H](C)O2 ZINC001071169311 784647756 /nfs/dbraw/zinc/64/77/56/784647756.db2.gz PAGWKNLHIAGQJW-JSGCOSHPSA-N 1 2 340.815 0.117 20 30 ECEDLO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)ccc1=O)C[C@H](C)O2 ZINC001071189483 784694239 /nfs/dbraw/zinc/69/42/39/784694239.db2.gz LSLLSCKUMMUAKO-KBXCAEBGSA-N 1 2 329.400 0.324 20 30 ECEDLO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)ccc1=O)C[C@H](C)O2 ZINC001071189483 784694244 /nfs/dbraw/zinc/69/42/44/784694244.db2.gz LSLLSCKUMMUAKO-KBXCAEBGSA-N 1 2 329.400 0.324 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@]2(CCN(CC#N)C2)O1 ZINC001071235207 784801522 /nfs/dbraw/zinc/80/15/22/784801522.db2.gz AWFYXNDTLIWYOX-WMLDXEAASA-N 1 2 331.420 0.568 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3cnccn3)C2)C(=O)C1 ZINC001071251742 784838309 /nfs/dbraw/zinc/83/83/09/784838309.db2.gz HDKBWHMZZIJLIW-HNNXBMFYSA-N 1 2 341.415 0.249 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3cnccn3)C2)C(=O)C1 ZINC001071251742 784838313 /nfs/dbraw/zinc/83/83/13/784838313.db2.gz HDKBWHMZZIJLIW-HNNXBMFYSA-N 1 2 341.415 0.249 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3cc(C)on3)C2)C(=O)C1 ZINC001071252902 784841723 /nfs/dbraw/zinc/84/17/23/784841723.db2.gz AURCJGIZEPCGMX-HNNXBMFYSA-N 1 2 344.415 0.755 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3cc(C)on3)C2)C(=O)C1 ZINC001071252902 784841726 /nfs/dbraw/zinc/84/17/26/784841726.db2.gz AURCJGIZEPCGMX-HNNXBMFYSA-N 1 2 344.415 0.755 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3cc(C)no3)C2)C(=O)C1 ZINC001071257055 784857934 /nfs/dbraw/zinc/85/79/34/784857934.db2.gz PKDWEYBJIIDHES-OAHLLOKOSA-N 1 2 344.415 0.755 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3cc(C)no3)C2)C(=O)C1 ZINC001071257055 784857937 /nfs/dbraw/zinc/85/79/37/784857937.db2.gz PKDWEYBJIIDHES-OAHLLOKOSA-N 1 2 344.415 0.755 20 30 ECEDLO O=C(C#CC1CC1)N1CCC[C@@H](N2CC[N@@H+](CCCF)CC2=O)C1 ZINC001071263766 784880617 /nfs/dbraw/zinc/88/06/17/784880617.db2.gz FIJBRSRBZZSKEM-MRXNPFEDSA-N 1 2 335.423 0.895 20 30 ECEDLO O=C(C#CC1CC1)N1CCC[C@@H](N2CC[N@H+](CCCF)CC2=O)C1 ZINC001071263766 784880624 /nfs/dbraw/zinc/88/06/24/784880624.db2.gz FIJBRSRBZZSKEM-MRXNPFEDSA-N 1 2 335.423 0.895 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001071778916 785091855 /nfs/dbraw/zinc/09/18/55/785091855.db2.gz BDCRESZHGRZAAW-FZMZJTMJSA-N 1 2 330.388 0.521 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001071778916 785091864 /nfs/dbraw/zinc/09/18/64/785091864.db2.gz BDCRESZHGRZAAW-FZMZJTMJSA-N 1 2 330.388 0.521 20 30 ECEDLO C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001071805404 785130751 /nfs/dbraw/zinc/13/07/51/785130751.db2.gz NVNPUNWPDBAOCB-HIFRSBDPSA-N 1 2 347.415 0.798 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(=O)NC3CC3)C2)c1 ZINC001071814737 785147402 /nfs/dbraw/zinc/14/74/02/785147402.db2.gz KRSJTGREVARNQY-GUYCJALGSA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(=O)NC3CC3)C2)c1 ZINC001071814737 785147408 /nfs/dbraw/zinc/14/74/08/785147408.db2.gz KRSJTGREVARNQY-GUYCJALGSA-N 1 2 340.427 0.924 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(=O)N3CCC3)C2)nn1 ZINC001071879272 785261874 /nfs/dbraw/zinc/26/18/74/785261874.db2.gz AZLFWHLLYWZLFD-KGLIPLIRSA-N 1 2 346.435 0.279 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(=O)N3CCC3)C2)nn1 ZINC001071879272 785261883 /nfs/dbraw/zinc/26/18/83/785261883.db2.gz AZLFWHLLYWZLFD-KGLIPLIRSA-N 1 2 346.435 0.279 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3ccnn3C)C2)nn1 ZINC001071880052 785263012 /nfs/dbraw/zinc/26/30/12/785263012.db2.gz OIXVIBDGUYBXLL-KGLIPLIRSA-N 1 2 343.435 0.981 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3ccnn3C)C2)nn1 ZINC001071880052 785263019 /nfs/dbraw/zinc/26/30/19/785263019.db2.gz OIXVIBDGUYBXLL-KGLIPLIRSA-N 1 2 343.435 0.981 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)CC[C@H]1C ZINC001071660283 785468478 /nfs/dbraw/zinc/46/84/78/785468478.db2.gz SRODPRPXQMBMCF-CABCVRRESA-N 1 2 332.448 0.977 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)CC[C@H]1C ZINC001071660283 785468480 /nfs/dbraw/zinc/46/84/80/785468480.db2.gz SRODPRPXQMBMCF-CABCVRRESA-N 1 2 332.448 0.977 20 30 ECEDLO C[C@H]1CC[C@H](NC(=O)c2nnn(C)n2)C[N@@H+]1Cc1ccccc1C#N ZINC001071744330 785626359 /nfs/dbraw/zinc/62/63/59/785626359.db2.gz KQIHVVVDNKEQIX-WFASDCNBSA-N 1 2 339.403 0.865 20 30 ECEDLO C[C@H]1CC[C@H](NC(=O)c2nnn(C)n2)C[N@H+]1Cc1ccccc1C#N ZINC001071744330 785626365 /nfs/dbraw/zinc/62/63/65/785626365.db2.gz KQIHVVVDNKEQIX-WFASDCNBSA-N 1 2 339.403 0.865 20 30 ECEDLO C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001072093520 785657395 /nfs/dbraw/zinc/65/73/95/785657395.db2.gz HNAZQVJXIMKBIP-HIFRSBDPSA-N 1 2 332.404 0.345 20 30 ECEDLO C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001072093520 785657397 /nfs/dbraw/zinc/65/73/97/785657397.db2.gz HNAZQVJXIMKBIP-HIFRSBDPSA-N 1 2 332.404 0.345 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001072100973 785670454 /nfs/dbraw/zinc/67/04/54/785670454.db2.gz LNESZXBCHFMWNQ-SWLSCSKDSA-N 1 2 332.404 0.264 20 30 ECEDLO C=CCCOCC(=O)N[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001072484668 786260146 /nfs/dbraw/zinc/26/01/46/786260146.db2.gz QYBFKBZYHNIFLX-SWLSCSKDSA-N 1 2 334.420 0.816 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001072511157 786303495 /nfs/dbraw/zinc/30/34/95/786303495.db2.gz XDLHFUJMAAATTA-LSDHHAIUSA-N 1 2 346.431 0.356 20 30 ECEDLO CC(C)C#CC(=O)N[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001072516891 786316733 /nfs/dbraw/zinc/31/67/33/786316733.db2.gz ZYBAOFRPMOSTPG-ZBFHGGJFSA-N 1 2 330.432 0.975 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(C4CCC4)nn3)C[C@@H]21 ZINC001074244725 786499431 /nfs/dbraw/zinc/49/94/31/786499431.db2.gz JNIGPAFTPSFLCC-IRXDYDNUSA-N 1 2 343.431 0.942 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(C4CCC4)nn3)C[C@@H]21 ZINC001074244725 786499434 /nfs/dbraw/zinc/49/94/34/786499434.db2.gz JNIGPAFTPSFLCC-IRXDYDNUSA-N 1 2 343.431 0.942 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccnc4[nH]cnc43)C[C@@H]21 ZINC001074255400 786525514 /nfs/dbraw/zinc/52/55/14/786525514.db2.gz DLTLJPPCZKSTJB-GJZGRUSLSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccnc4[nH]cnc43)C[C@@H]21 ZINC001074255400 786525517 /nfs/dbraw/zinc/52/55/17/786525517.db2.gz DLTLJPPCZKSTJB-GJZGRUSLSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCn3ccccc3=O)C[C@H]21 ZINC001074257022 786529344 /nfs/dbraw/zinc/52/93/44/786529344.db2.gz XZYJEEDPHRLVTM-SJORKVTESA-N 1 2 343.427 0.563 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCn3ccccc3=O)C[C@H]21 ZINC001074257022 786529348 /nfs/dbraw/zinc/52/93/48/786529348.db2.gz XZYJEEDPHRLVTM-SJORKVTESA-N 1 2 343.427 0.563 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3ccnn3C)C[C@@H]21 ZINC001074260515 786537065 /nfs/dbraw/zinc/53/70/65/786537065.db2.gz XHDYBVFCKZBSGG-DLBZAZTESA-N 1 2 330.432 0.678 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3ccnn3C)C[C@@H]21 ZINC001074260515 786537067 /nfs/dbraw/zinc/53/70/67/786537067.db2.gz XHDYBVFCKZBSGG-DLBZAZTESA-N 1 2 330.432 0.678 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnn4c3OCCC4)C[C@H]21 ZINC001074287479 786600560 /nfs/dbraw/zinc/60/05/60/786600560.db2.gz YHIBMQDDEVOUJG-HZPDHXFCSA-N 1 2 344.415 0.604 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnn4c3OCCC4)C[C@H]21 ZINC001074287479 786600564 /nfs/dbraw/zinc/60/05/64/786600564.db2.gz YHIBMQDDEVOUJG-HZPDHXFCSA-N 1 2 344.415 0.604 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C[C@@H]21 ZINC001074301689 786629709 /nfs/dbraw/zinc/62/97/09/786629709.db2.gz FQWLZGPPHCMAJM-LSDHHAIUSA-N 1 2 332.404 0.272 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C[C@@H]21 ZINC001074301689 786629716 /nfs/dbraw/zinc/62/97/16/786629716.db2.gz FQWLZGPPHCMAJM-LSDHHAIUSA-N 1 2 332.404 0.272 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C[C@H]21 ZINC001074301686 786630212 /nfs/dbraw/zinc/63/02/12/786630212.db2.gz FQWLZGPPHCMAJM-CABCVRRESA-N 1 2 332.404 0.272 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C[C@H]21 ZINC001074301686 786630221 /nfs/dbraw/zinc/63/02/21/786630221.db2.gz FQWLZGPPHCMAJM-CABCVRRESA-N 1 2 332.404 0.272 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)COc3cnn(C)c3)C[C@H]21 ZINC001074322780 786673207 /nfs/dbraw/zinc/67/32/07/786673207.db2.gz XSWFFLGGAMTQSM-CVEARBPZSA-N 1 2 334.420 0.677 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)COc3cnn(C)c3)C[C@H]21 ZINC001074322780 786673212 /nfs/dbraw/zinc/67/32/12/786673212.db2.gz XSWFFLGGAMTQSM-CVEARBPZSA-N 1 2 334.420 0.677 20 30 ECEDLO C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)c2cncc3nc[nH]c32)C1 ZINC001073611211 786768497 /nfs/dbraw/zinc/76/84/97/786768497.db2.gz QJXJKCXDEGXJEG-ZDUSSCGKSA-N 1 2 327.388 0.802 20 30 ECEDLO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cncc3nc[nH]c32)C1 ZINC001073611211 786768501 /nfs/dbraw/zinc/76/85/01/786768501.db2.gz QJXJKCXDEGXJEG-ZDUSSCGKSA-N 1 2 327.388 0.802 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@H]21 ZINC001074369122 786777354 /nfs/dbraw/zinc/77/73/54/786777354.db2.gz QMBVHEMKODFHRR-CABCVRRESA-N 1 2 330.388 0.052 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@H]21 ZINC001074369122 786777361 /nfs/dbraw/zinc/77/73/61/786777361.db2.gz QMBVHEMKODFHRR-CABCVRRESA-N 1 2 330.388 0.052 20 30 ECEDLO C=CCOCC(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC001074370036 786779318 /nfs/dbraw/zinc/77/93/18/786779318.db2.gz NDCWOLMGGQBFNQ-GASCZTMLSA-N 1 2 346.431 0.852 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001073645106 786859736 /nfs/dbraw/zinc/85/97/36/786859736.db2.gz DQNWWGYPLMHPCB-STQMWFEESA-N 1 2 329.828 0.472 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001073645106 786859745 /nfs/dbraw/zinc/85/97/45/786859745.db2.gz DQNWWGYPLMHPCB-STQMWFEESA-N 1 2 329.828 0.472 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C[C@@H]21 ZINC001074414791 786911294 /nfs/dbraw/zinc/91/12/94/786911294.db2.gz FKBQBFGQNJMXTO-ZFWWWQNUSA-N 1 2 334.420 0.215 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C[C@@H]21 ZINC001074414791 786911300 /nfs/dbraw/zinc/91/13/00/786911300.db2.gz FKBQBFGQNJMXTO-ZFWWWQNUSA-N 1 2 334.420 0.215 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc(C(N)=O)n3)C[C@@H]21 ZINC001074417040 786917378 /nfs/dbraw/zinc/91/73/78/786917378.db2.gz HOFGABDZDUGBOE-HOTGVXAUSA-N 1 2 342.399 0.119 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc(C(N)=O)n3)C[C@@H]21 ZINC001074417040 786917385 /nfs/dbraw/zinc/91/73/85/786917385.db2.gz HOFGABDZDUGBOE-HOTGVXAUSA-N 1 2 342.399 0.119 20 30 ECEDLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1NC(=O)CSCC#N ZINC001073746854 787115339 /nfs/dbraw/zinc/11/53/39/787115339.db2.gz FEMHIVOZDNULNI-AAEUAGOBSA-N 1 2 335.433 0.562 20 30 ECEDLO CC(C)C#CC(=O)N1CCC(O)(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001074579763 787312254 /nfs/dbraw/zinc/31/22/54/787312254.db2.gz UHVYNQJCYNOYLV-UHFFFAOYSA-N 1 2 346.431 0.471 20 30 ECEDLO CC(C)C#CC(=O)N1CCC(O)(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001074579763 787312263 /nfs/dbraw/zinc/31/22/63/787312263.db2.gz UHVYNQJCYNOYLV-UHFFFAOYSA-N 1 2 346.431 0.471 20 30 ECEDLO C=CCCOCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001074029854 787723674 /nfs/dbraw/zinc/72/36/74/787723674.db2.gz LDBLEHTWJDVROZ-DZGCQCFKSA-N 1 2 334.420 0.898 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)CC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001074085511 787844869 /nfs/dbraw/zinc/84/48/69/787844869.db2.gz VNBDQMRSZCXLCK-KBPBESRZSA-N 1 2 349.460 0.883 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001074991323 788679417 /nfs/dbraw/zinc/67/94/17/788679417.db2.gz SOEYFOYENDLXSI-HZPDHXFCSA-N 1 2 346.431 0.809 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001075038610 788778994 /nfs/dbraw/zinc/77/89/94/788778994.db2.gz JMJYPLVGOQKSEH-LSDHHAIUSA-N 1 2 346.431 0.878 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001075038610 788779000 /nfs/dbraw/zinc/77/90/00/788779000.db2.gz JMJYPLVGOQKSEH-LSDHHAIUSA-N 1 2 346.431 0.878 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1cn(C)nn1)C2 ZINC001072994578 789245206 /nfs/dbraw/zinc/24/52/06/789245206.db2.gz ICTUOYIFNRRHCR-CABCVRRESA-N 1 2 331.420 0.441 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1cn(C)nn1)C2 ZINC001072994578 789245211 /nfs/dbraw/zinc/24/52/11/789245211.db2.gz ICTUOYIFNRRHCR-CABCVRRESA-N 1 2 331.420 0.441 20 30 ECEDLO C#CC[NH2+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC001075416219 789343931 /nfs/dbraw/zinc/34/39/31/789343931.db2.gz VZSZSGFKLIDKLU-WMLDXEAASA-N 1 2 331.420 0.356 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3noc4c3COCC4)C[C@H]21 ZINC001075615877 789574191 /nfs/dbraw/zinc/57/41/91/789574191.db2.gz BOMOAYKPLBZTTO-TYNCELHUSA-N 1 2 330.388 0.940 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3noc4c3COCC4)C[C@H]21 ZINC001075615877 789574197 /nfs/dbraw/zinc/57/41/97/789574197.db2.gz BOMOAYKPLBZTTO-TYNCELHUSA-N 1 2 330.388 0.940 20 30 ECEDLO N#Cc1cncc(N2CC[C@@]3(NC(=O)Cc4[nH]cc[nH+]4)CCC[C@H]23)n1 ZINC001069271954 789723486 /nfs/dbraw/zinc/72/34/86/789723486.db2.gz YBEYQOVKRMGVTF-GUYCJALGSA-N 1 2 337.387 0.932 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001073377185 789772443 /nfs/dbraw/zinc/77/24/43/789772443.db2.gz KRYOCIPSRHETTH-KBXCAEBGSA-N 1 2 348.447 0.954 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC001073394577 789786895 /nfs/dbraw/zinc/78/68/95/789786895.db2.gz DOCVWEBXXINQOP-DZGCQCFKSA-N 1 2 346.431 0.734 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1c1cnc(C#N)cn1 ZINC001069415177 789811640 /nfs/dbraw/zinc/81/16/40/789811640.db2.gz MEUMZDIIZSXXCQ-BXUZGUMPSA-N 1 2 325.376 0.788 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC001073420814 789813931 /nfs/dbraw/zinc/81/39/31/789813931.db2.gz JKQKPMFWMNBLIA-KSSFIOAISA-N 1 2 348.447 0.954 20 30 ECEDLO N#CCN1CCn2ncc(CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)c2C1 ZINC001069865190 790121693 /nfs/dbraw/zinc/12/16/93/790121693.db2.gz ZASZSKYCSWZGJI-CYBMUJFWSA-N 1 2 339.403 0.298 20 30 ECEDLO N#CCN1CCn2ncc(CNC(=O)[C@H]3CCCc4[nH+]c[nH]c43)c2C1 ZINC001069872794 790134539 /nfs/dbraw/zinc/13/45/39/790134539.db2.gz CUCTUPPTJGLGNW-ZDUSSCGKSA-N 1 2 339.403 0.682 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2nccc(C)n2)[C@@H](n2ccnn2)C1 ZINC001069917586 790187232 /nfs/dbraw/zinc/18/72/32/790187232.db2.gz ZBXGYRLJEVCATA-KGLIPLIRSA-N 1 2 325.376 0.055 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2nccc(C)n2)[C@@H](n2ccnn2)C1 ZINC001069917586 790187235 /nfs/dbraw/zinc/18/72/35/790187235.db2.gz ZBXGYRLJEVCATA-KGLIPLIRSA-N 1 2 325.376 0.055 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cn3c(n2)CCC3)[C@@H](n2ccnn2)C1 ZINC001069929925 790202257 /nfs/dbraw/zinc/20/22/57/790202257.db2.gz UIMDOIBIXLJJMG-HIFRSBDPSA-N 1 2 339.403 0.099 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cn3c(n2)CCC3)[C@@H](n2ccnn2)C1 ZINC001069929925 790202262 /nfs/dbraw/zinc/20/22/62/790202262.db2.gz UIMDOIBIXLJJMG-HIFRSBDPSA-N 1 2 339.403 0.099 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cccc(CC)n2)[C@@H](n2ccnn2)C1 ZINC001069947286 790226438 /nfs/dbraw/zinc/22/64/38/790226438.db2.gz VHCSKVCZYGXBIX-SJORKVTESA-N 1 2 338.415 0.914 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(CC)n2)[C@@H](n2ccnn2)C1 ZINC001069947286 790226442 /nfs/dbraw/zinc/22/64/42/790226442.db2.gz VHCSKVCZYGXBIX-SJORKVTESA-N 1 2 338.415 0.914 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2cncs2)[C@@H](n2ccnn2)C1 ZINC001069951235 790231883 /nfs/dbraw/zinc/23/18/83/790231883.db2.gz CUPKXNZWCGOQKF-KGLIPLIRSA-N 1 2 330.417 0.342 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2cncs2)[C@@H](n2ccnn2)C1 ZINC001069951235 790231888 /nfs/dbraw/zinc/23/18/88/790231888.db2.gz CUPKXNZWCGOQKF-KGLIPLIRSA-N 1 2 330.417 0.342 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3[nH]ccc3c2)[C@@H](n2ccnn2)C1 ZINC001069952453 790233871 /nfs/dbraw/zinc/23/38/71/790233871.db2.gz MIWUORMAXLLLCR-CVEARBPZSA-N 1 2 349.398 0.785 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnc3[nH]ccc3c2)[C@@H](n2ccnn2)C1 ZINC001069952453 790233875 /nfs/dbraw/zinc/23/38/75/790233875.db2.gz MIWUORMAXLLLCR-CVEARBPZSA-N 1 2 349.398 0.785 20 30 ECEDLO C#CCN1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](n2ccnn2)C1 ZINC001069958957 790240626 /nfs/dbraw/zinc/24/06/26/790240626.db2.gz VMYAMXBIGYMHRM-CVEARBPZSA-N 1 2 335.371 0.443 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@@H](n2ccnn2)C1 ZINC001069958957 790240629 /nfs/dbraw/zinc/24/06/29/790240629.db2.gz VMYAMXBIGYMHRM-CVEARBPZSA-N 1 2 335.371 0.443 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@@H](n2ccnn2)C1 ZINC001069958957 790240633 /nfs/dbraw/zinc/24/06/33/790240633.db2.gz VMYAMXBIGYMHRM-CVEARBPZSA-N 1 2 335.371 0.443 20 30 ECEDLO CC(C)(C)C#CC(=O)N[C@@H]1COC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001068862877 791293496 /nfs/dbraw/zinc/29/34/96/791293496.db2.gz JWOKEDXOTKEVCO-AWEZNQCLSA-N 1 2 344.415 0.419 20 30 ECEDLO C=CCCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CO2 ZINC001068913445 791407347 /nfs/dbraw/zinc/40/73/47/791407347.db2.gz RKLOGRJMPOLGSO-MGPQQGTHSA-N 1 2 344.415 0.966 20 30 ECEDLO C=CCCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CO2 ZINC001068913445 791407351 /nfs/dbraw/zinc/40/73/51/791407351.db2.gz RKLOGRJMPOLGSO-MGPQQGTHSA-N 1 2 344.415 0.966 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1COC2(CN(C(=O)C#CC(C)C)C2)C1 ZINC001068939732 791467176 /nfs/dbraw/zinc/46/71/76/791467176.db2.gz HBUDPQSORLYPAT-AWEZNQCLSA-N 1 2 344.415 0.406 20 30 ECEDLO C#CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)CO2 ZINC001068941337 791472785 /nfs/dbraw/zinc/47/27/85/791472785.db2.gz YGSALCSZXPFWQJ-CQSZACIVSA-N 1 2 344.415 0.550 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1CC2(C1)C[C@H](NC(=O)Cc1[nH]cc[nH+]1)CO2 ZINC001068983390 791548058 /nfs/dbraw/zinc/54/80/58/791548058.db2.gz JJPBUFSKOYACAM-STQMWFEESA-N 1 2 348.403 0.029 20 30 ECEDLO N#Cc1cncc(NC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CCO2)n1 ZINC001066688135 791993301 /nfs/dbraw/zinc/99/33/01/791993301.db2.gz VQIKOTVZEKXNSK-CQSZACIVSA-N 1 2 341.375 0.343 20 30 ECEDLO N#Cc1cncc(NC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CCO2)n1 ZINC001066688135 791993306 /nfs/dbraw/zinc/99/33/06/791993306.db2.gz VQIKOTVZEKXNSK-CQSZACIVSA-N 1 2 341.375 0.343 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(c3nccnc3C#N)CC2)C1 ZINC001066698209 792016902 /nfs/dbraw/zinc/01/69/02/792016902.db2.gz IVODNFMAECHIFD-KGLIPLIRSA-N 1 2 339.403 0.231 20 30 ECEDLO COc1ccnc(N2CC[NH+]([C@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)n1 ZINC001066698525 792018904 /nfs/dbraw/zinc/01/89/04/792018904.db2.gz LUQBCIVFYMSCPK-KGLIPLIRSA-N 1 2 344.419 0.368 20 30 ECEDLO CC[C@H](F)C(=O)N1CC[C@H]([NH+]2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001066699800 792025128 /nfs/dbraw/zinc/02/51/28/792025128.db2.gz GFTANFHWXZZCHC-KBPBESRZSA-N 1 2 346.410 0.819 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]([NH+]2CCN(c3cc(F)ncn3)CC2)C1 ZINC001066701524 792029183 /nfs/dbraw/zinc/02/91/83/792029183.db2.gz ZWQCVXCNXPLKOF-HNNXBMFYSA-N 1 2 343.406 0.752 20 30 ECEDLO C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001067705106 792159594 /nfs/dbraw/zinc/15/95/94/792159594.db2.gz GSKIHNUTEQJPGU-KGLIPLIRSA-N 1 2 331.420 0.912 20 30 ECEDLO N#Cc1cnc(N2CCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)cn1 ZINC001066793449 792175177 /nfs/dbraw/zinc/17/51/77/792175177.db2.gz GDDVLOKOQNBOEH-GFCCVEGCSA-N 1 2 325.376 0.789 20 30 ECEDLO N#Cc1nccc(N[C@@]2(CO)CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001066909932 792357335 /nfs/dbraw/zinc/35/73/35/792357335.db2.gz ATUXRMUZGNLHKS-INIZCTEOSA-N 1 2 341.375 0.079 20 30 ECEDLO N#Cc1nccc(N[C@@]2(CO)CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)n1 ZINC001066923289 792394278 /nfs/dbraw/zinc/39/42/78/792394278.db2.gz HASPYXJIJDZTOA-INIZCTEOSA-N 1 2 341.375 0.079 20 30 ECEDLO N#Cc1ccc(N[C@@]2(CO)CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)nc1 ZINC001066923871 792395699 /nfs/dbraw/zinc/39/56/99/792395699.db2.gz WLQOBYLQYVIELM-KRWDZBQOSA-N 1 2 340.387 0.684 20 30 ECEDLO C[C@H]1CCN(c2cncc(C#N)n2)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067962522 792511188 /nfs/dbraw/zinc/51/11/88/792511188.db2.gz BOJZZUODIBALFU-WFASDCNBSA-N 1 2 339.403 0.655 20 30 ECEDLO CC1(C)CN(c2ccnc(C#N)n2)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001068115812 792698535 /nfs/dbraw/zinc/69/85/35/792698535.db2.gz SKJXIZROIUCDNF-LBPRGKRZSA-N 1 2 325.376 0.576 20 30 ECEDLO C[C@H](Nc1ncccc1C#N)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001068235750 792891322 /nfs/dbraw/zinc/89/13/22/792891322.db2.gz ACNWKZPDZMYCHN-JSGCOSHPSA-N 1 2 340.387 0.947 20 30 ECEDLO C[C@H]1C[C@H](CNc2cncc(C#N)n2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001068346081 793093395 /nfs/dbraw/zinc/09/33/95/793093395.db2.gz DLRAXQIKQNFPSH-NWDGAFQWSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@@H]1CN(c2cncc(C#N)n2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067403099 793104614 /nfs/dbraw/zinc/10/46/14/793104614.db2.gz LGMMZYBQHFBQHM-OCCSQVGLSA-N 1 2 325.376 0.576 20 30 ECEDLO C[C@@H]1CN(c2cncc(C#N)n2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067407294 793111159 /nfs/dbraw/zinc/11/11/59/793111159.db2.gz DXPOSVMAPKNWAI-DGCLKSJQSA-N 1 2 325.376 0.645 20 30 ECEDLO C#CCCCC(=O)N1CCOC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001068389070 793181504 /nfs/dbraw/zinc/18/15/04/793181504.db2.gz VWLWHMYZDHLKND-UHFFFAOYSA-N 1 2 330.388 0.126 20 30 ECEDLO CC(C)(C)C#CC(=O)N1CCOC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001068395990 793206186 /nfs/dbraw/zinc/20/61/86/793206186.db2.gz OSEIBHYFIFOIHI-UHFFFAOYSA-N 1 2 344.415 0.442 20 30 ECEDLO CCOc1cnc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#CCOC)cn1 ZINC001267443158 837425451 /nfs/dbraw/zinc/42/54/51/837425451.db2.gz LWFNCZZAQYVODF-GASCZTMLSA-N 1 2 344.415 0.814 20 30 ECEDLO CCOc1cnc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#CCOC)cn1 ZINC001267443158 837425454 /nfs/dbraw/zinc/42/54/54/837425454.db2.gz LWFNCZZAQYVODF-GASCZTMLSA-N 1 2 344.415 0.814 20 30 ECEDLO CCCN(C(=O)c1cncc(C)c1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267454540 837438725 /nfs/dbraw/zinc/43/87/25/837438725.db2.gz OPFYBGBTKGQKSU-INIZCTEOSA-N 1 2 343.431 0.956 20 30 ECEDLO CCCN(C(=O)c1cncc(C)c1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267454540 837438728 /nfs/dbraw/zinc/43/87/28/837438728.db2.gz OPFYBGBTKGQKSU-INIZCTEOSA-N 1 2 343.431 0.956 20 30 ECEDLO CCCN(C(=O)c1ccc(=O)[nH]c1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267489327 837553955 /nfs/dbraw/zinc/55/39/55/837553955.db2.gz XELMMZZZKCBMJX-AWEZNQCLSA-N 1 2 345.403 0.353 20 30 ECEDLO CCCN(C(=O)c1ccc(=O)[nH]c1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267489327 837553964 /nfs/dbraw/zinc/55/39/64/837553964.db2.gz XELMMZZZKCBMJX-AWEZNQCLSA-N 1 2 345.403 0.353 20 30 ECEDLO CCCN(C(=O)c1ccc(F)cn1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267540991 837725839 /nfs/dbraw/zinc/72/58/39/837725839.db2.gz SCNYTSRIUDNWAA-CQSZACIVSA-N 1 2 347.394 0.787 20 30 ECEDLO CCCN(C(=O)c1ccc(F)cn1)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267540991 837725842 /nfs/dbraw/zinc/72/58/42/837725842.db2.gz SCNYTSRIUDNWAA-CQSZACIVSA-N 1 2 347.394 0.787 20 30 ECEDLO CC[C@@H](C)CC(=O)N(C)CC[NH+]1CCN(CC(=O)NCC#N)CC1 ZINC001267572727 837812185 /nfs/dbraw/zinc/81/21/85/837812185.db2.gz UYJDOWZRLMIVMM-OAHLLOKOSA-N 1 2 337.468 0.138 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@H](OC)C(F)(F)F)C1 ZINC001266245615 835551286 /nfs/dbraw/zinc/55/12/86/835551286.db2.gz DEBFBIWJXMBXAL-RYUDHWBXSA-N 1 2 349.353 0.284 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[C@H](OC)C(F)(F)F)C1 ZINC001266245615 835551294 /nfs/dbraw/zinc/55/12/94/835551294.db2.gz DEBFBIWJXMBXAL-RYUDHWBXSA-N 1 2 349.353 0.284 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCCn2cccn2)C1 ZINC001266252393 835557935 /nfs/dbraw/zinc/55/79/35/835557935.db2.gz SNFVFOCJJJDSLP-OAHLLOKOSA-N 1 2 333.436 0.546 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCCn2cccn2)C1 ZINC001266252393 835557939 /nfs/dbraw/zinc/55/79/39/835557939.db2.gz SNFVFOCJJJDSLP-OAHLLOKOSA-N 1 2 333.436 0.546 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1Cc2ccccc2O1 ZINC001266277025 835601698 /nfs/dbraw/zinc/60/16/98/835601698.db2.gz LIWUYHDBEZSHKZ-HNNXBMFYSA-N 1 2 329.400 0.178 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1Cc2ccccc2O1 ZINC001266277025 835601701 /nfs/dbraw/zinc/60/17/01/835601701.db2.gz LIWUYHDBEZSHKZ-HNNXBMFYSA-N 1 2 329.400 0.178 20 30 ECEDLO C#Cc1cccc(NC(=O)CN2CC[NH+](CCNC(C)=O)CC2)c1 ZINC001266279442 835607381 /nfs/dbraw/zinc/60/73/81/835607381.db2.gz QHVPDZGAYCKKON-UHFFFAOYSA-N 1 2 328.416 0.360 20 30 ECEDLO CCn1nc(C(=O)NCC[N@H+](C)CC(=O)NCC#N)cc1C1CC1 ZINC001266280845 835609523 /nfs/dbraw/zinc/60/95/23/835609523.db2.gz VWDZDJHWRWOEBU-UHFFFAOYSA-N 1 2 332.408 0.082 20 30 ECEDLO CCn1nc(C(=O)NCC[N@@H+](C)CC(=O)NCC#N)cc1C1CC1 ZINC001266280845 835609526 /nfs/dbraw/zinc/60/95/26/835609526.db2.gz VWDZDJHWRWOEBU-UHFFFAOYSA-N 1 2 332.408 0.082 20 30 ECEDLO C#CCN1CC[NH+](CCNC(=O)CNC(=O)c2ccc(C)s2)CC1 ZINC001266297379 835646966 /nfs/dbraw/zinc/64/69/66/835646966.db2.gz OLWNFNBDQRPYBW-UHFFFAOYSA-N 1 2 348.472 0.153 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cc(C)nnc2C)C1 ZINC001266321266 835693098 /nfs/dbraw/zinc/69/30/98/835693098.db2.gz NKGRSCDCEFVGOV-UONOGXRCSA-N 1 2 331.420 0.588 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cc(C)nnc2C)C1 ZINC001266321266 835693104 /nfs/dbraw/zinc/69/31/04/835693104.db2.gz NKGRSCDCEFVGOV-UONOGXRCSA-N 1 2 331.420 0.588 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001266321954 835695429 /nfs/dbraw/zinc/69/54/29/835695429.db2.gz XNDPSFCRASTPFB-KSSFIOAISA-N 1 2 348.447 0.935 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001266321954 835695433 /nfs/dbraw/zinc/69/54/33/835695433.db2.gz XNDPSFCRASTPFB-KSSFIOAISA-N 1 2 348.447 0.935 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001266321952 835695477 /nfs/dbraw/zinc/69/54/77/835695477.db2.gz XNDPSFCRASTPFB-KBXCAEBGSA-N 1 2 348.447 0.935 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001266321952 835695484 /nfs/dbraw/zinc/69/54/84/835695484.db2.gz XNDPSFCRASTPFB-KBXCAEBGSA-N 1 2 348.447 0.935 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2COc3ccccc3C2)C1 ZINC001266327352 835706763 /nfs/dbraw/zinc/70/67/63/835706763.db2.gz CZFZIRYBIIFFAL-HUUCEWRRSA-N 1 2 342.399 0.068 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2COc3ccccc3C2)C1 ZINC001266327352 835706768 /nfs/dbraw/zinc/70/67/68/835706768.db2.gz CZFZIRYBIIFFAL-HUUCEWRRSA-N 1 2 342.399 0.068 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC(C)(C)CC(F)F)C1 ZINC001266330949 835712558 /nfs/dbraw/zinc/71/25/58/835712558.db2.gz KKQICJYCUPLAJY-LBPRGKRZSA-N 1 2 329.391 0.998 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC(C)(C)CC(F)F)C1 ZINC001266330949 835712565 /nfs/dbraw/zinc/71/25/65/835712565.db2.gz KKQICJYCUPLAJY-LBPRGKRZSA-N 1 2 329.391 0.998 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCc2ccc(C)cc2)C1 ZINC001266331990 835713809 /nfs/dbraw/zinc/71/38/09/835713809.db2.gz ZJSCJXBLRLUZJK-KRWDZBQOSA-N 1 2 327.428 0.868 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2ccc(C)cc2)C1 ZINC001266331990 835713818 /nfs/dbraw/zinc/71/38/18/835713818.db2.gz ZJSCJXBLRLUZJK-KRWDZBQOSA-N 1 2 327.428 0.868 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)C(=O)NCC=C)C2)nn1 ZINC001266346917 835737441 /nfs/dbraw/zinc/73/74/41/835737441.db2.gz IXVZYBVROBXBMR-KBPBESRZSA-N 1 2 346.435 0.349 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)C(=O)NCC=C)C2)nn1 ZINC001266346917 835737448 /nfs/dbraw/zinc/73/74/48/835737448.db2.gz IXVZYBVROBXBMR-KBPBESRZSA-N 1 2 346.435 0.349 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC001266356066 835760469 /nfs/dbraw/zinc/76/04/69/835760469.db2.gz PQOKYRVAGONLAB-LBPRGKRZSA-N 1 2 325.372 0.116 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC001266356066 835760479 /nfs/dbraw/zinc/76/04/79/835760479.db2.gz PQOKYRVAGONLAB-LBPRGKRZSA-N 1 2 325.372 0.116 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c3ccccc23)C1 ZINC001266356918 835761956 /nfs/dbraw/zinc/76/19/56/835761956.db2.gz WUZWYVZJNRCDPA-CQSZACIVSA-N 1 2 339.399 0.541 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c3ccccc23)C1 ZINC001266356918 835761967 /nfs/dbraw/zinc/76/19/67/835761967.db2.gz WUZWYVZJNRCDPA-CQSZACIVSA-N 1 2 339.399 0.541 20 30 ECEDLO C=C(C)CCC(=O)N[C@H]1CC12CC[NH+](Cc1nc(=O)n(C)[nH]1)CC2 ZINC001266371537 835785136 /nfs/dbraw/zinc/78/51/36/835785136.db2.gz ZTLZOEOKSQPTSR-ZDUSSCGKSA-N 1 2 333.436 0.935 20 30 ECEDLO CCCN(C(=O)[C@H](CC)OC)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC001266384773 835795417 /nfs/dbraw/zinc/79/54/17/835795417.db2.gz VHFDDUXDKAZDIO-HNNXBMFYSA-N 1 2 338.452 0.754 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2n(n1)CCCC2 ZINC001266468259 835870229 /nfs/dbraw/zinc/87/02/29/835870229.db2.gz MYAYGOHPBHOVDF-OAHLLOKOSA-N 1 2 343.431 0.163 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc2n(n1)CCCC2 ZINC001266468259 835870239 /nfs/dbraw/zinc/87/02/39/835870239.db2.gz MYAYGOHPBHOVDF-OAHLLOKOSA-N 1 2 343.431 0.163 20 30 ECEDLO CCc1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NCC#N)cc(=O)[nH]1 ZINC001266473945 835875812 /nfs/dbraw/zinc/87/58/12/835875812.db2.gz DNLHJMUMIVAFGK-CQSZACIVSA-N 1 2 345.403 0.184 20 30 ECEDLO CCc1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NCC#N)cc(=O)[nH]1 ZINC001266473945 835875818 /nfs/dbraw/zinc/87/58/18/835875818.db2.gz DNLHJMUMIVAFGK-CQSZACIVSA-N 1 2 345.403 0.184 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NCCC)nn1 ZINC001266485613 835885198 /nfs/dbraw/zinc/88/51/98/835885198.db2.gz GECUWLTUNSDCML-CYBMUJFWSA-N 1 2 334.424 0.185 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NCCC)nn1 ZINC001266485613 835885207 /nfs/dbraw/zinc/88/52/07/835885207.db2.gz GECUWLTUNSDCML-CYBMUJFWSA-N 1 2 334.424 0.185 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2nnc(C3CC3)o2)C1 ZINC001266514275 835925685 /nfs/dbraw/zinc/92/56/85/835925685.db2.gz OXTNNBDZLOIUFE-CHWSQXEVSA-N 1 2 332.404 0.923 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2nnc(C3CC3)o2)C1 ZINC001266514275 835925689 /nfs/dbraw/zinc/92/56/89/835925689.db2.gz OXTNNBDZLOIUFE-CHWSQXEVSA-N 1 2 332.404 0.923 20 30 ECEDLO C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001266814857 836338676 /nfs/dbraw/zinc/33/86/76/836338676.db2.gz YNTRXUYLDKKOSP-ZDUSSCGKSA-N 1 2 344.419 0.476 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C)n1cccc1 ZINC001266839436 836366388 /nfs/dbraw/zinc/36/63/88/836366388.db2.gz AUFNUXOOFIPDGH-HOTGVXAUSA-N 1 2 330.432 0.769 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)n1cccc1 ZINC001266839436 836366392 /nfs/dbraw/zinc/36/63/92/836366392.db2.gz AUFNUXOOFIPDGH-HOTGVXAUSA-N 1 2 330.432 0.769 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cnn(CCF)c1 ZINC001266844462 836371226 /nfs/dbraw/zinc/37/12/26/836371226.db2.gz KXMVFABMWXWRGP-OAHLLOKOSA-N 1 2 349.410 0.186 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnn(CCF)c1 ZINC001266844462 836371235 /nfs/dbraw/zinc/37/12/35/836371235.db2.gz KXMVFABMWXWRGP-OAHLLOKOSA-N 1 2 349.410 0.186 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)c1c[nH]cn1 ZINC001266858620 836396170 /nfs/dbraw/zinc/39/61/70/836396170.db2.gz UOJFYIQOQVQLLN-AWEZNQCLSA-N 1 2 347.463 0.960 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)c1c[nH]cn1 ZINC001266858620 836396181 /nfs/dbraw/zinc/39/61/81/836396181.db2.gz UOJFYIQOQVQLLN-AWEZNQCLSA-N 1 2 347.463 0.960 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1ccc2cc(C)ccc2n1 ZINC001267206226 836987731 /nfs/dbraw/zinc/98/77/31/836987731.db2.gz RTCVVNXFLCGITL-UHFFFAOYSA-N 1 2 338.411 0.954 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccc2cc(C)ccc2n1 ZINC001267206226 836987741 /nfs/dbraw/zinc/98/77/41/836987741.db2.gz RTCVVNXFLCGITL-UHFFFAOYSA-N 1 2 338.411 0.954 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@@H](C)CO1 ZINC001267207809 836992090 /nfs/dbraw/zinc/99/20/90/836992090.db2.gz PIYFZNOKTNPJGY-CABCVRRESA-N 1 2 325.453 0.884 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H](C)CO1 ZINC001267207809 836992099 /nfs/dbraw/zinc/99/20/99/836992099.db2.gz PIYFZNOKTNPJGY-CABCVRRESA-N 1 2 325.453 0.884 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCc2ccccc2O1 ZINC001267223530 837017158 /nfs/dbraw/zinc/01/71/58/837017158.db2.gz JWXWTFHYMXJKST-INIZCTEOSA-N 1 2 329.400 0.178 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCc2ccccc2O1 ZINC001267223530 837017168 /nfs/dbraw/zinc/01/71/68/837017168.db2.gz JWXWTFHYMXJKST-INIZCTEOSA-N 1 2 329.400 0.178 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC001267230942 837036683 /nfs/dbraw/zinc/03/66/83/837036683.db2.gz IQWWAZGWQASDLT-UKRRQHHQSA-N 1 2 349.381 0.866 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC001267230942 837036692 /nfs/dbraw/zinc/03/66/92/837036692.db2.gz IQWWAZGWQASDLT-UKRRQHHQSA-N 1 2 349.381 0.866 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)CCc2cnc[nH]2)C1=O ZINC001267269537 837109130 /nfs/dbraw/zinc/10/91/30/837109130.db2.gz OMORYFZIPGEMAL-HZPDHXFCSA-N 1 2 345.447 0.710 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)CCc2cnc[nH]2)C1=O ZINC001267269537 837109136 /nfs/dbraw/zinc/10/91/36/837109136.db2.gz OMORYFZIPGEMAL-HZPDHXFCSA-N 1 2 345.447 0.710 20 30 ECEDLO CC(C)c1ocnc1C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001267280321 837127791 /nfs/dbraw/zinc/12/77/91/837127791.db2.gz TYXDVXTYGHTXGQ-LBPRGKRZSA-N 1 2 333.392 0.632 20 30 ECEDLO CC(C)c1ocnc1C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001267280321 837127797 /nfs/dbraw/zinc/12/77/97/837127797.db2.gz TYXDVXTYGHTXGQ-LBPRGKRZSA-N 1 2 333.392 0.632 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NCC1CC1 ZINC001267404899 837375864 /nfs/dbraw/zinc/37/58/64/837375864.db2.gz CTDGBHYIDQEONQ-IYBDPMFKSA-N 1 2 333.432 0.228 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NCC1CC1 ZINC001267404899 837375873 /nfs/dbraw/zinc/37/58/73/837375873.db2.gz CTDGBHYIDQEONQ-IYBDPMFKSA-N 1 2 333.432 0.228 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N(C)CC[NH+]2CCN(CC#N)CC2)cn1 ZINC001267607393 837950495 /nfs/dbraw/zinc/95/04/95/837950495.db2.gz HJHWOBUOYBJDQZ-UHFFFAOYSA-N 1 2 332.452 0.526 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001267609716 837971516 /nfs/dbraw/zinc/97/15/16/837971516.db2.gz SRSBILMIRISZCL-DZGCQCFKSA-N 1 2 332.404 0.205 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001267609716 837971522 /nfs/dbraw/zinc/97/15/22/837971522.db2.gz SRSBILMIRISZCL-DZGCQCFKSA-N 1 2 332.404 0.205 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cc(CC)n[nH]2)C1 ZINC001267611158 837975153 /nfs/dbraw/zinc/97/51/53/837975153.db2.gz IHHIALLOBFVCSJ-TZMCWYRMSA-N 1 2 333.436 0.857 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cc(CC)n[nH]2)C1 ZINC001267611158 837975160 /nfs/dbraw/zinc/97/51/60/837975160.db2.gz IHHIALLOBFVCSJ-TZMCWYRMSA-N 1 2 333.436 0.857 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)c2ccnn2CC)C1 ZINC001267624632 838069634 /nfs/dbraw/zinc/06/96/34/838069634.db2.gz IGWPQRZYTPCMJR-KGLIPLIRSA-N 1 2 331.420 0.235 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2ccnn2CC)C1 ZINC001267624632 838069644 /nfs/dbraw/zinc/06/96/44/838069644.db2.gz IGWPQRZYTPCMJR-KGLIPLIRSA-N 1 2 331.420 0.235 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCc2nccs2)C1 ZINC001267634686 838103004 /nfs/dbraw/zinc/10/30/04/838103004.db2.gz KPIBWZHYDQKTFT-LBPRGKRZSA-N 1 2 335.433 0.296 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCc2nccs2)C1 ZINC001267634686 838103008 /nfs/dbraw/zinc/10/30/08/838103008.db2.gz KPIBWZHYDQKTFT-LBPRGKRZSA-N 1 2 335.433 0.296 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2cccn2C)C1 ZINC001267674359 838219725 /nfs/dbraw/zinc/21/97/25/838219725.db2.gz COKKENSNEHDSGV-LBPRGKRZSA-N 1 2 347.419 0.087 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[NH+]1CC(CNC(=O)CC2(O)CCC2)C1 ZINC001267680706 838240038 /nfs/dbraw/zinc/24/00/38/838240038.db2.gz UUPCRNONJUZLJA-UHFFFAOYSA-N 1 2 337.464 0.764 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@H](C)Oc2ccccc2F)C1 ZINC001267682530 838241316 /nfs/dbraw/zinc/24/13/16/838241316.db2.gz BGHKZWGMGDTRHY-ZDUSSCGKSA-N 1 2 347.390 0.390 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2cn(C)nc2C(F)F)C1 ZINC001267681209 838242069 /nfs/dbraw/zinc/24/20/69/838242069.db2.gz ANLGVURTKIILJY-UHFFFAOYSA-N 1 2 341.362 0.322 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001267693979 838276310 /nfs/dbraw/zinc/27/63/10/838276310.db2.gz XEZJYIQQNWHVKO-OAHLLOKOSA-N 1 2 327.428 0.896 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2csc3cncn32)C1 ZINC001267693638 838277943 /nfs/dbraw/zinc/27/79/43/838277943.db2.gz MEKNXMIVMINALG-LLVKDONJSA-N 1 2 345.428 0.195 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2ccncc12 ZINC001267708675 838317862 /nfs/dbraw/zinc/31/78/62/838317862.db2.gz JTKMSTFBKRCQTC-KBPBESRZSA-N 1 2 325.372 0.278 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2ccncc12 ZINC001267708675 838317869 /nfs/dbraw/zinc/31/78/69/838317869.db2.gz JTKMSTFBKRCQTC-KBPBESRZSA-N 1 2 325.372 0.278 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCn1ccccc1=O ZINC001267711045 838325960 /nfs/dbraw/zinc/32/59/60/838325960.db2.gz IEUGGENKJHCPSZ-IRXDYDNUSA-N 1 2 343.427 0.563 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCn1ccccc1=O ZINC001267711045 838325962 /nfs/dbraw/zinc/32/59/62/838325962.db2.gz IEUGGENKJHCPSZ-IRXDYDNUSA-N 1 2 343.427 0.563 20 30 ECEDLO CO[C@@H](C)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#Cc2ccccc2)C1 ZINC001267719694 838372924 /nfs/dbraw/zinc/37/29/24/838372924.db2.gz KJJGJPSGVGBBCO-RDJZCZTQSA-N 1 2 343.427 0.380 20 30 ECEDLO CO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#Cc2ccccc2)C1 ZINC001267719694 838372933 /nfs/dbraw/zinc/37/29/33/838372933.db2.gz KJJGJPSGVGBBCO-RDJZCZTQSA-N 1 2 343.427 0.380 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2)C1 ZINC001267724153 838384422 /nfs/dbraw/zinc/38/44/22/838384422.db2.gz QZOQVUXPQFYROB-RDJZCZTQSA-N 1 2 343.427 0.532 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](CC(=O)NCc2ccccc2)C1 ZINC001267724153 838384416 /nfs/dbraw/zinc/38/44/16/838384416.db2.gz QZOQVUXPQFYROB-RDJZCZTQSA-N 1 2 343.427 0.532 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2sc(C)nc2C)C1 ZINC001267727251 838405688 /nfs/dbraw/zinc/40/56/88/838405688.db2.gz LXCLYSLKKFKJDC-ZDUSSCGKSA-N 1 2 336.461 0.795 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2sc(C)nc2C)C1 ZINC001267727251 838405693 /nfs/dbraw/zinc/40/56/93/838405693.db2.gz LXCLYSLKKFKJDC-ZDUSSCGKSA-N 1 2 336.461 0.795 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)CC(F)(F)F)C1 ZINC001267732770 838420999 /nfs/dbraw/zinc/42/09/99/838420999.db2.gz NCQHJKMUVGMGMJ-NSHDSACASA-N 1 2 333.354 0.905 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)CC(F)(F)F)C1 ZINC001267732770 838421004 /nfs/dbraw/zinc/42/10/04/838421004.db2.gz NCQHJKMUVGMGMJ-NSHDSACASA-N 1 2 333.354 0.905 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)Oc2ccccn2)C1 ZINC001267732671 838421025 /nfs/dbraw/zinc/42/10/25/838421025.db2.gz YJZWAMWYOULSOO-KBPBESRZSA-N 1 2 332.404 0.342 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)Oc2ccccn2)C1 ZINC001267732671 838421030 /nfs/dbraw/zinc/42/10/30/838421030.db2.gz YJZWAMWYOULSOO-KBPBESRZSA-N 1 2 332.404 0.342 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(F)F)nc2)C1 ZINC001267742977 838443924 /nfs/dbraw/zinc/44/39/24/838443924.db2.gz HDUMKAIKIPRFTL-GFCCVEGCSA-N 1 2 336.342 0.573 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(F)F)nc2)C1 ZINC001267742977 838443926 /nfs/dbraw/zinc/44/39/26/838443926.db2.gz HDUMKAIKIPRFTL-GFCCVEGCSA-N 1 2 336.342 0.573 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cccc(OC)c2F)C1 ZINC001267750589 838470856 /nfs/dbraw/zinc/47/08/56/838470856.db2.gz CEGBMCXXPKDZGB-QWHCGFSZSA-N 1 2 347.390 0.776 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cccc(OC)c2F)C1 ZINC001267750589 838470859 /nfs/dbraw/zinc/47/08/59/838470859.db2.gz CEGBMCXXPKDZGB-QWHCGFSZSA-N 1 2 347.390 0.776 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2c(F)cccc2F)C1 ZINC001267751709 838473109 /nfs/dbraw/zinc/47/31/09/838473109.db2.gz JMTNYOUYICZNAS-NWDGAFQWSA-N 1 2 335.354 0.907 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2c(F)cccc2F)C1 ZINC001267751709 838473113 /nfs/dbraw/zinc/47/31/13/838473113.db2.gz JMTNYOUYICZNAS-NWDGAFQWSA-N 1 2 335.354 0.907 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](N(C)C(=O)COC)C2)c1 ZINC001267756272 838480281 /nfs/dbraw/zinc/48/02/81/838480281.db2.gz ZFDXMUJFGIKQSX-INIZCTEOSA-N 1 2 329.400 0.786 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](N(C)C(=O)COC)C2)c1 ZINC001267756272 838480284 /nfs/dbraw/zinc/48/02/84/838480284.db2.gz ZFDXMUJFGIKQSX-INIZCTEOSA-N 1 2 329.400 0.786 20 30 ECEDLO C#CCCCC(=O)N(C)[C@H]1CC[N@H+](CC(=O)NC(=O)NCC=C)C1 ZINC001267764302 838495664 /nfs/dbraw/zinc/49/56/64/838495664.db2.gz NZDVXOIOYJPAHO-AWEZNQCLSA-N 1 2 334.420 0.334 20 30 ECEDLO C#CCCCC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NC(=O)NCC=C)C1 ZINC001267764302 838495670 /nfs/dbraw/zinc/49/56/70/838495670.db2.gz NZDVXOIOYJPAHO-AWEZNQCLSA-N 1 2 334.420 0.334 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C2(C3CC3)CC2)C1 ZINC001267767660 838505662 /nfs/dbraw/zinc/50/56/62/838505662.db2.gz PYVBKOZMWCDZHL-CQSZACIVSA-N 1 2 348.447 0.721 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(C3CC3)CC2)C1 ZINC001267767660 838505663 /nfs/dbraw/zinc/50/56/63/838505663.db2.gz PYVBKOZMWCDZHL-CQSZACIVSA-N 1 2 348.447 0.721 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2cocc2C)C1 ZINC001267768569 838507741 /nfs/dbraw/zinc/50/77/41/838507741.db2.gz PJJPXMKCWJLFDM-ZDUSSCGKSA-N 1 2 348.403 0.746 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2cocc2C)C1 ZINC001267768569 838507748 /nfs/dbraw/zinc/50/77/48/838507748.db2.gz PJJPXMKCWJLFDM-ZDUSSCGKSA-N 1 2 348.403 0.746 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001267768869 838509943 /nfs/dbraw/zinc/50/99/43/838509943.db2.gz REABCOYSBIDTBJ-CYBMUJFWSA-N 1 2 345.447 0.603 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001267768869 838509951 /nfs/dbraw/zinc/50/99/51/838509951.db2.gz REABCOYSBIDTBJ-CYBMUJFWSA-N 1 2 345.447 0.603 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)nnc2C)C1 ZINC001267786246 838562453 /nfs/dbraw/zinc/56/24/53/838562453.db2.gz KHUIDXGIEOCVKS-OAHLLOKOSA-N 1 2 343.431 0.379 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)nnc2C)C1 ZINC001267786246 838562458 /nfs/dbraw/zinc/56/24/58/838562458.db2.gz KHUIDXGIEOCVKS-OAHLLOKOSA-N 1 2 343.431 0.379 20 30 ECEDLO CCN(C(=O)CCCn1cccc1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267794938 838574734 /nfs/dbraw/zinc/57/47/34/838574734.db2.gz SRSXEFIKOCNMJP-MRXNPFEDSA-N 1 2 345.447 0.831 20 30 ECEDLO CCN(C(=O)CCCn1cccc1)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267794938 838574744 /nfs/dbraw/zinc/57/47/44/838574744.db2.gz SRSXEFIKOCNMJP-MRXNPFEDSA-N 1 2 345.447 0.831 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cccc(CC)n2)C1 ZINC001267942748 838830176 /nfs/dbraw/zinc/83/01/76/838830176.db2.gz MDSIGUMVUYMEJF-GDBMZVCRSA-N 1 2 342.443 0.976 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cccc(CC)n2)C1 ZINC001267942748 838830184 /nfs/dbraw/zinc/83/01/84/838830184.db2.gz MDSIGUMVUYMEJF-GDBMZVCRSA-N 1 2 342.443 0.976 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2coc(OC)n2)C1 ZINC001267957119 838865739 /nfs/dbraw/zinc/86/57/39/838865739.db2.gz XIOOAAHALVSLPG-NWDGAFQWSA-N 1 2 334.376 0.015 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2coc(OC)n2)C1 ZINC001267957119 838865751 /nfs/dbraw/zinc/86/57/51/838865751.db2.gz XIOOAAHALVSLPG-NWDGAFQWSA-N 1 2 334.376 0.015 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](C)C[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001267980756 838920412 /nfs/dbraw/zinc/92/04/12/838920412.db2.gz XLLKPCFXVGELDH-SJCJKPOMSA-N 1 2 347.419 0.192 20 30 ECEDLO N#CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)c1cncs1)CC2 ZINC001268042117 839186975 /nfs/dbraw/zinc/18/69/75/839186975.db2.gz LCBFWAHTRGOXRA-UHFFFAOYSA-N 1 2 333.417 0.321 20 30 ECEDLO C=CCOCC(=O)N1CCC2(C[NH+](CCS(C)(=O)=O)C2)CC1 ZINC001268043296 839192529 /nfs/dbraw/zinc/19/25/29/839192529.db2.gz GOEZBOQFOIMDKO-UHFFFAOYSA-N 1 2 330.450 0.158 20 30 ECEDLO C=CC[N@H+](CCN1C(=O)c2ccccc2C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000066559935 215053357 /nfs/dbraw/zinc/05/33/57/215053357.db2.gz ISIVIYMSKXCONF-ZDUSSCGKSA-N 1 2 348.424 0.958 20 30 ECEDLO C=CC[N@@H+](CCN1C(=O)c2ccccc2C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000066559935 215053361 /nfs/dbraw/zinc/05/33/61/215053361.db2.gz ISIVIYMSKXCONF-ZDUSSCGKSA-N 1 2 348.424 0.958 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2cc(C)ncc2C#N)CC1 ZINC000425228905 210024040 /nfs/dbraw/zinc/02/40/40/210024040.db2.gz QZZKDFCEEXVLOR-OAHLLOKOSA-N 1 2 345.447 0.925 20 30 ECEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cncc(C#N)n2)CC1 ZINC000420578683 209393470 /nfs/dbraw/zinc/39/34/70/209393470.db2.gz BEQXXKAJGBQHLE-CYBMUJFWSA-N 1 2 328.420 0.918 20 30 ECEDLO C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108363 216350125 /nfs/dbraw/zinc/35/01/25/216350125.db2.gz AANOWCOJRAXZHB-GOEBONIOSA-N 1 2 343.431 0.759 20 30 ECEDLO Cc1cccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c1C#N ZINC000246085942 243189447 /nfs/dbraw/zinc/18/94/47/243189447.db2.gz IIMIGIMWAHSJEI-KGLIPLIRSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c1C#N ZINC000246085942 243189455 /nfs/dbraw/zinc/18/94/55/243189455.db2.gz IIMIGIMWAHSJEI-KGLIPLIRSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246075149 243190373 /nfs/dbraw/zinc/19/03/73/243190373.db2.gz FGQUHCHJFJLNRA-KGLIPLIRSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246075149 243190381 /nfs/dbraw/zinc/19/03/81/243190381.db2.gz FGQUHCHJFJLNRA-KGLIPLIRSA-N 1 2 337.445 0.942 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000264119657 246083388 /nfs/dbraw/zinc/08/33/88/246083388.db2.gz FDIWBBMVLUHVNO-UHFFFAOYSA-N 1 2 327.428 0.903 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000264119657 246083392 /nfs/dbraw/zinc/08/33/92/246083392.db2.gz FDIWBBMVLUHVNO-UHFFFAOYSA-N 1 2 327.428 0.903 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(C)nc2)CC1 ZINC000264883825 247005625 /nfs/dbraw/zinc/00/56/25/247005625.db2.gz IMCYCCIYIDFOMA-UHFFFAOYSA-N 1 2 328.416 0.216 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(C)nc2)CC1 ZINC000264883825 247005629 /nfs/dbraw/zinc/00/56/29/247005629.db2.gz IMCYCCIYIDFOMA-UHFFFAOYSA-N 1 2 328.416 0.216 20 30 ECEDLO COC(=O)CN(CC[NH+]1CCOCC1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268648066 252100758 /nfs/dbraw/zinc/10/07/58/252100758.db2.gz GAAPZIPTQRYMPL-QGZVFWFLSA-N 1 2 347.415 0.399 20 30 ECEDLO C=CCSCCNC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000286560892 254565568 /nfs/dbraw/zinc/56/55/68/254565568.db2.gz SGBBOZWNKULQHF-OLZOCXBDSA-N 1 2 329.466 0.247 20 30 ECEDLO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](c1nc(C)no1)C1CCOCC1 ZINC000330562442 254639568 /nfs/dbraw/zinc/63/95/68/254639568.db2.gz JOJBSOUKKGXKHR-JOYOIKCWSA-N 1 2 339.396 0.874 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000331322926 254653278 /nfs/dbraw/zinc/65/32/78/254653278.db2.gz LWYQYIUXWIOWMJ-HZPDHXFCSA-N 1 2 349.479 0.375 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000337056810 254662757 /nfs/dbraw/zinc/66/27/57/254662757.db2.gz CSBQJIXEZJKPFY-ZIAGYGMSSA-N 1 2 332.470 0.271 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496400640 255096863 /nfs/dbraw/zinc/09/68/63/255096863.db2.gz VRALIIYWKMSEAF-CQSZACIVSA-N 1 2 339.436 0.694 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496419221 255098354 /nfs/dbraw/zinc/09/83/54/255098354.db2.gz PYXJESHYCZCBTA-CXAGYDPISA-N 1 2 341.452 0.981 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496419221 255098355 /nfs/dbraw/zinc/09/83/55/255098355.db2.gz PYXJESHYCZCBTA-CXAGYDPISA-N 1 2 341.452 0.981 20 30 ECEDLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1 ZINC000117106771 221031149 /nfs/dbraw/zinc/03/11/49/221031149.db2.gz PAXFGYNECKJKAK-UHFFFAOYSA-N 1 2 337.445 0.777 20 30 ECEDLO COCCNC(=O)CN1CC[NH+](Cc2cc(C#N)ccc2OC)CC1 ZINC000159316290 296711338 /nfs/dbraw/zinc/71/13/38/296711338.db2.gz YBAVGSOCYSXPMN-UHFFFAOYSA-N 1 2 346.431 0.447 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](Cc3nncn3C)C2)C1 ZINC001041695753 782012730 /nfs/dbraw/zinc/01/27/30/782012730.db2.gz GNGSOQKKSBUIDF-RVKKMQEKSA-N 1 2 345.447 0.831 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3nncn3C)C2)C1 ZINC001041695753 782012720 /nfs/dbraw/zinc/01/27/20/782012720.db2.gz GNGSOQKKSBUIDF-RVKKMQEKSA-N 1 2 345.447 0.831 20 30 ECEDLO N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000122321128 222061120 /nfs/dbraw/zinc/06/11/20/222061120.db2.gz NYENCXZOYSBYMT-AWEZNQCLSA-N 1 2 335.429 0.901 20 30 ECEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000122409619 222081247 /nfs/dbraw/zinc/08/12/47/222081247.db2.gz CRPXXZCPYMEYSJ-ZIAGYGMSSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000122409619 222081251 /nfs/dbraw/zinc/08/12/51/222081251.db2.gz CRPXXZCPYMEYSJ-ZIAGYGMSSA-N 1 2 337.445 0.942 20 30 ECEDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CC[N@@H+]1C[C@@H](C)O ZINC000122733059 222147399 /nfs/dbraw/zinc/14/73/99/222147399.db2.gz RVKMZKMGSWPBIL-TZMCWYRMSA-N 1 2 338.433 0.419 20 30 ECEDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CC[N@H+]1C[C@@H](C)O ZINC000122733059 222147402 /nfs/dbraw/zinc/14/74/02/222147402.db2.gz RVKMZKMGSWPBIL-TZMCWYRMSA-N 1 2 338.433 0.419 20 30 ECEDLO C#CCNC(=O)C1CC[NH+]([C@H](C)c2nc(N)nc(N(C)C)n2)CC1 ZINC000491201843 420609809 /nfs/dbraw/zinc/60/98/09/420609809.db2.gz KFTXPTOGUHVHOB-LLVKDONJSA-N 1 2 331.424 0.042 20 30 ECEDLO Cc1nn(C)c(N2CC[NH+](Cc3cnc4cnccn34)CC2)c1C#N ZINC000530407258 269927696 /nfs/dbraw/zinc/92/76/96/269927696.db2.gz IRYCPGKMTGVINP-UHFFFAOYSA-N 1 2 336.403 0.965 20 30 ECEDLO N#Cc1csc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000084181886 263142574 /nfs/dbraw/zinc/14/25/74/263142574.db2.gz HHGVDDGPVDSAJB-UHFFFAOYSA-N 1 2 342.428 0.962 20 30 ECEDLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000187963053 263161278 /nfs/dbraw/zinc/16/12/78/263161278.db2.gz FEZQSVKEVCXDCR-NSHDSACASA-N 1 2 343.836 0.899 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)CC[N@@H+]1CCO ZINC000188726070 263162355 /nfs/dbraw/zinc/16/23/55/263162355.db2.gz WCJUJQBGXSZFQM-NSHDSACASA-N 1 2 327.381 0.384 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)CC[N@H+]1CCO ZINC000188726070 263162356 /nfs/dbraw/zinc/16/23/56/263162356.db2.gz WCJUJQBGXSZFQM-NSHDSACASA-N 1 2 327.381 0.384 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)C[C@H]21 ZINC000285340685 264303736 /nfs/dbraw/zinc/30/37/36/264303736.db2.gz SSBLREMKPWTDTC-HUUCEWRRSA-N 1 2 346.362 0.567 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)C[C@H]21 ZINC000285340685 264303737 /nfs/dbraw/zinc/30/37/37/264303737.db2.gz SSBLREMKPWTDTC-HUUCEWRRSA-N 1 2 346.362 0.567 20 30 ECEDLO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000368012916 270007432 /nfs/dbraw/zinc/00/74/32/270007432.db2.gz ZBVRIASXESUVAQ-UHFFFAOYSA-N 1 2 333.329 0.867 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@](C)(F)C3)CC2)o1 ZINC000534308317 270008340 /nfs/dbraw/zinc/00/83/40/270008340.db2.gz SEAPRFWZVBHNCT-INIZCTEOSA-N 1 2 335.383 0.937 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@](C)(F)C3)CC2)o1 ZINC000534308317 270008341 /nfs/dbraw/zinc/00/83/41/270008341.db2.gz SEAPRFWZVBHNCT-INIZCTEOSA-N 1 2 335.383 0.937 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@@](C)(F)C3)CC2)o1 ZINC000534308318 270008347 /nfs/dbraw/zinc/00/83/47/270008347.db2.gz SEAPRFWZVBHNCT-MRXNPFEDSA-N 1 2 335.383 0.937 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@@](C)(F)C3)CC2)o1 ZINC000534308318 270008348 /nfs/dbraw/zinc/00/83/48/270008348.db2.gz SEAPRFWZVBHNCT-MRXNPFEDSA-N 1 2 335.383 0.937 20 30 ECEDLO CCN(CCO)C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000297514445 266128252 /nfs/dbraw/zinc/12/82/52/266128252.db2.gz MRBSFGFCFVIUSW-UHFFFAOYSA-N 1 2 344.415 0.043 20 30 ECEDLO C[C@@H]1C[N@@H+](CCN(C)S(=O)(=O)c2cncc(C#N)c2)C[C@H](C)O1 ZINC000290072621 267049900 /nfs/dbraw/zinc/04/99/00/267049900.db2.gz GDMDDUAXMGTJIC-BETUJISGSA-N 1 2 338.433 0.683 20 30 ECEDLO C[C@@H]1C[N@H+](CCN(C)S(=O)(=O)c2cncc(C#N)c2)C[C@H](C)O1 ZINC000290072621 267049902 /nfs/dbraw/zinc/04/99/02/267049902.db2.gz GDMDDUAXMGTJIC-BETUJISGSA-N 1 2 338.433 0.683 20 30 ECEDLO C[C@@H]1C[NH+](CCN(C)C(=O)C(=O)Nc2ccc(C#N)cn2)C[C@@H](C)O1 ZINC000340388942 267050234 /nfs/dbraw/zinc/05/02/34/267050234.db2.gz LKSBXKMSNAZSAD-CHWSQXEVSA-N 1 2 345.403 0.459 20 30 ECEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000360753992 267187102 /nfs/dbraw/zinc/18/71/02/267187102.db2.gz KREJMPGHODDXNE-NSHDSACASA-N 1 2 347.400 0.607 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cscc1C#N ZINC000529754877 267331868 /nfs/dbraw/zinc/33/18/68/267331868.db2.gz XFUYELGKMIOPJL-MRXNPFEDSA-N 1 2 335.429 0.965 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cscc1C#N ZINC000529754877 267331870 /nfs/dbraw/zinc/33/18/70/267331870.db2.gz XFUYELGKMIOPJL-MRXNPFEDSA-N 1 2 335.429 0.965 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCCOC2)cn1 ZINC000366240984 268035671 /nfs/dbraw/zinc/03/56/71/268035671.db2.gz NQTFKBLQFQQYSB-KRWDZBQOSA-N 1 2 330.388 0.564 20 30 ECEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CC[C@H](n4cncn4)C3)C2=O)cc1 ZINC000368883101 268105399 /nfs/dbraw/zinc/10/53/99/268105399.db2.gz WBHXFDTXDMHSSB-GJZGRUSLSA-N 1 2 336.355 0.729 20 30 ECEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3CC[C@H](n4cncn4)C3)C2=O)cc1 ZINC000368883101 268105400 /nfs/dbraw/zinc/10/54/00/268105400.db2.gz WBHXFDTXDMHSSB-GJZGRUSLSA-N 1 2 336.355 0.729 20 30 ECEDLO N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)nc1 ZINC000340117560 268132154 /nfs/dbraw/zinc/13/21/54/268132154.db2.gz IWLLSZRTZOLABF-AWEZNQCLSA-N 1 2 337.339 0.967 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cn1 ZINC000329426352 268193566 /nfs/dbraw/zinc/19/35/66/268193566.db2.gz IUYFBINZYGUYFB-UHFFFAOYSA-N 1 2 332.389 0.183 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@]3(CNC(=O)C3)C2)c1 ZINC000338938770 268275838 /nfs/dbraw/zinc/27/58/38/268275838.db2.gz SDVINSFZOCUURF-KRWDZBQOSA-N 1 2 347.440 0.934 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@]3(CNC(=O)C3)C2)c1 ZINC000338938770 268275839 /nfs/dbraw/zinc/27/58/39/268275839.db2.gz SDVINSFZOCUURF-KRWDZBQOSA-N 1 2 347.440 0.934 20 30 ECEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289426262 268307941 /nfs/dbraw/zinc/30/79/41/268307941.db2.gz NEVBLDGISKBWOT-SNVBAGLBSA-N 1 2 332.389 0.849 20 30 ECEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289426262 268307942 /nfs/dbraw/zinc/30/79/42/268307942.db2.gz NEVBLDGISKBWOT-SNVBAGLBSA-N 1 2 332.389 0.849 20 30 ECEDLO N#Cc1ncccc1S(=O)(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000277010287 268329531 /nfs/dbraw/zinc/32/95/31/268329531.db2.gz LGEIPQLFWAMGPX-CYBMUJFWSA-N 1 2 336.417 0.296 20 30 ECEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1 ZINC000155206041 276351959 /nfs/dbraw/zinc/35/19/59/276351959.db2.gz DBPSTDXHOXEEFP-CABCVRRESA-N 1 2 330.436 0.995 20 30 ECEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1 ZINC000155206041 276351960 /nfs/dbraw/zinc/35/19/60/276351960.db2.gz DBPSTDXHOXEEFP-CABCVRRESA-N 1 2 330.436 0.995 20 30 ECEDLO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC1=O ZINC000330247659 277991955 /nfs/dbraw/zinc/99/19/55/277991955.db2.gz LVYIIPGDEGNTME-KBXIAJHMSA-N 1 2 336.436 0.316 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000452101485 288177700 /nfs/dbraw/zinc/17/77/00/288177700.db2.gz GUSZYJRNEAGLMV-LLVKDONJSA-N 1 2 327.381 0.384 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000452101485 288177706 /nfs/dbraw/zinc/17/77/06/288177706.db2.gz GUSZYJRNEAGLMV-LLVKDONJSA-N 1 2 327.381 0.384 20 30 ECEDLO C[C@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C(=O)N1CCOCC1 ZINC000329423739 289234722 /nfs/dbraw/zinc/23/47/22/289234722.db2.gz HYANTYKVWCGIGU-DZGCQCFKSA-N 1 2 339.436 0.834 20 30 ECEDLO C[C@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C(=O)N1CCOCC1 ZINC000329423739 289234724 /nfs/dbraw/zinc/23/47/24/289234724.db2.gz HYANTYKVWCGIGU-DZGCQCFKSA-N 1 2 339.436 0.834 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCO[C@]4(CCOC4)C3)C[C@@H]21 ZINC000329166030 290079244 /nfs/dbraw/zinc/07/92/44/290079244.db2.gz HNNWSDYAVKALRG-JYYAWHABSA-N 1 2 339.436 0.643 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCO[C@]4(CCOC4)C3)C[C@@H]21 ZINC000329166030 290079248 /nfs/dbraw/zinc/07/92/48/290079248.db2.gz HNNWSDYAVKALRG-JYYAWHABSA-N 1 2 339.436 0.643 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)NCC1([NH+]2CCOCC2)CCCC1 ZINC000375708946 298277768 /nfs/dbraw/zinc/27/77/68/298277768.db2.gz ZMWSBKHZJZGVEA-CQSZACIVSA-N 1 2 344.481 0.700 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000374579041 298278153 /nfs/dbraw/zinc/27/81/53/298278153.db2.gz KRVLFNVHSKTFPR-RBSFLKMASA-N 1 2 344.481 0.698 20 30 ECEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC[NH+]1CCOCC1 ZINC000072902368 436060491 /nfs/dbraw/zinc/06/04/91/436060491.db2.gz OYQHWCJXJBOKBL-UHFFFAOYSA-N 1 2 332.404 0.244 20 30 ECEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416662925 301076410 /nfs/dbraw/zinc/07/64/10/301076410.db2.gz LDXNXXVQKGIUDG-UONOGXRCSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000416662925 301076412 /nfs/dbraw/zinc/07/64/12/301076412.db2.gz LDXNXXVQKGIUDG-UONOGXRCSA-N 1 2 337.445 0.942 20 30 ECEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000032543077 436239347 /nfs/dbraw/zinc/23/93/47/436239347.db2.gz ZFSRZNYHUCIAAN-AWEZNQCLSA-N 1 2 343.431 0.591 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000077538902 436242255 /nfs/dbraw/zinc/24/22/55/436242255.db2.gz RRJUMNVGTCZTTF-LLVKDONJSA-N 1 2 334.351 0.473 20 30 ECEDLO COC(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000029870549 436209720 /nfs/dbraw/zinc/20/97/20/436209720.db2.gz BEDFUINLQKAMGF-UHFFFAOYSA-N 1 2 337.401 0.428 20 30 ECEDLO N#Cc1nnc2ccccc2c1N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000077187796 436226252 /nfs/dbraw/zinc/22/62/52/436226252.db2.gz WYSVLTVBUITLOX-UHFFFAOYSA-N 1 2 336.399 0.902 20 30 ECEDLO CC(C)(C)NC(=O)C[N@@H+]1CCCN(C(=O)CSCC#N)CC1 ZINC000041785379 436285058 /nfs/dbraw/zinc/28/50/58/436285058.db2.gz XVTIYZGJUAFMMQ-UHFFFAOYSA-N 1 2 326.466 0.692 20 30 ECEDLO CC(C)(C)NC(=O)C[N@H+]1CCCN(C(=O)CSCC#N)CC1 ZINC000041785379 436285063 /nfs/dbraw/zinc/28/50/63/436285063.db2.gz XVTIYZGJUAFMMQ-UHFFFAOYSA-N 1 2 326.466 0.692 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cn3cccnc3=O)CC2)cc1 ZINC000042017908 436294042 /nfs/dbraw/zinc/29/40/42/436294042.db2.gz KRBHMVCJSSUTBI-UHFFFAOYSA-N 1 2 337.383 0.459 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](OCCO)C2)cc1 ZINC000081513515 436348330 /nfs/dbraw/zinc/34/83/30/436348330.db2.gz MQVUFBNVZLKMJU-HNNXBMFYSA-N 1 2 338.429 0.805 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](OCCO)C2)cc1 ZINC000081513515 436348333 /nfs/dbraw/zinc/34/83/33/436348333.db2.gz MQVUFBNVZLKMJU-HNNXBMFYSA-N 1 2 338.429 0.805 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000042331479 436300446 /nfs/dbraw/zinc/30/04/46/436300446.db2.gz WXGIDSAODZLTCD-HZPDHXFCSA-N 1 2 335.448 0.899 20 30 ECEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CSCC#N)CC1 ZINC000042395003 436302201 /nfs/dbraw/zinc/30/22/01/436302201.db2.gz RDOCWYWWAUEVNI-UHFFFAOYSA-N 1 2 326.466 0.646 20 30 ECEDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CSCC#N)CC1 ZINC000042395003 436302205 /nfs/dbraw/zinc/30/22/05/436302205.db2.gz RDOCWYWWAUEVNI-UHFFFAOYSA-N 1 2 326.466 0.646 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000042537900 436306652 /nfs/dbraw/zinc/30/66/52/436306652.db2.gz NNMMDSFHLNHXAH-OAHLLOKOSA-N 1 2 325.416 0.590 20 30 ECEDLO C=CCNC(=O)c1ccc(N(C)C[C@@H](O)C[NH+]2CCOCC2)nc1 ZINC000081015343 436334882 /nfs/dbraw/zinc/33/48/82/436334882.db2.gz JFSLTKJVAPPWTB-OAHLLOKOSA-N 1 2 334.420 0.127 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1cccc(C#N)c1 ZINC000083699980 436374972 /nfs/dbraw/zinc/37/49/72/436374972.db2.gz IDKYPRYJUBJMCC-MRXNPFEDSA-N 1 2 332.404 0.393 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(C(=O)NC)ccc2OC)CC1 ZINC000085272766 436388380 /nfs/dbraw/zinc/38/83/80/436388380.db2.gz GIWHWJGWOMWUAY-UHFFFAOYSA-N 1 2 344.415 0.244 20 30 ECEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)N(C)C ZINC000046970518 436406628 /nfs/dbraw/zinc/40/66/28/436406628.db2.gz QIWXTRDJDFDVRF-CQSZACIVSA-N 1 2 343.431 0.862 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2scnc2C2CC2)CC1 ZINC000089818422 436416873 /nfs/dbraw/zinc/41/68/73/436416873.db2.gz ZKLTWNXWCLWVHF-UHFFFAOYSA-N 1 2 346.456 0.918 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2scnc2C2CC2)CC1 ZINC000089818422 436416877 /nfs/dbraw/zinc/41/68/77/436416877.db2.gz ZKLTWNXWCLWVHF-UHFFFAOYSA-N 1 2 346.456 0.918 20 30 ECEDLO Cc1nnc(NCC[NH+]2CCN(c3ncccn3)CC2)c(C#N)c1C ZINC000052433773 436508170 /nfs/dbraw/zinc/50/81/70/436508170.db2.gz UVLGZGVESSOLPV-UHFFFAOYSA-N 1 2 338.419 0.989 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000102930305 436553613 /nfs/dbraw/zinc/55/36/13/436553613.db2.gz GGOKAUHGKBPSDC-AQFXKWCLSA-N 1 2 348.491 0.437 20 30 ECEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCNC(=O)[C@H]2C)c(OC)c1 ZINC000104693418 436561185 /nfs/dbraw/zinc/56/11/85/436561185.db2.gz SDHVLOIMBXUSGK-HIFRSBDPSA-N 1 2 334.416 0.984 20 30 ECEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCNC(=O)[C@H]2C)c(OC)c1 ZINC000104693418 436561189 /nfs/dbraw/zinc/56/11/89/436561189.db2.gz SDHVLOIMBXUSGK-HIFRSBDPSA-N 1 2 334.416 0.984 20 30 ECEDLO C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060481091 436633776 /nfs/dbraw/zinc/63/37/76/436633776.db2.gz JKBODNMMTGPPDN-GFCCVEGCSA-N 1 2 342.403 0.452 20 30 ECEDLO Cc1onc(CC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)c1C#N ZINC000542784270 302204477 /nfs/dbraw/zinc/20/44/77/302204477.db2.gz BDACEDFYIMEZEN-UHFFFAOYSA-N 1 2 328.376 0.475 20 30 ECEDLO CC[C@H]1COCC[N@@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000115573212 436647676 /nfs/dbraw/zinc/64/76/76/436647676.db2.gz QBCPUMBVACWUBV-AWEZNQCLSA-N 1 2 347.419 0.614 20 30 ECEDLO CC[C@H]1COCC[N@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000115573212 436647678 /nfs/dbraw/zinc/64/76/78/436647678.db2.gz QBCPUMBVACWUBV-AWEZNQCLSA-N 1 2 347.419 0.614 20 30 ECEDLO C[C@H](NC(=O)C#Cc1ccc2c(c1)OCO2)[C@H](C)[NH+]1CCOCC1 ZINC000136661859 436652948 /nfs/dbraw/zinc/65/29/48/436652948.db2.gz QPHRZGPGOSSQSZ-KBPBESRZSA-N 1 2 330.384 0.992 20 30 ECEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000272223618 436709991 /nfs/dbraw/zinc/70/99/91/436709991.db2.gz CLXYTWGITGIUPA-UHFFFAOYSA-N 1 2 343.387 0.784 20 30 ECEDLO C=CC[N@H+](CCc1ccco1)Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000272223618 436709996 /nfs/dbraw/zinc/70/99/96/436709996.db2.gz CLXYTWGITGIUPA-UHFFFAOYSA-N 1 2 343.387 0.784 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnn3c2CCCC3)CC1 ZINC000269683296 436669183 /nfs/dbraw/zinc/66/91/83/436669183.db2.gz LTLQOXBTLBPZPI-UHFFFAOYSA-N 1 2 343.431 0.117 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnn3c2CCCC3)CC1 ZINC000269683296 436669185 /nfs/dbraw/zinc/66/91/85/436669185.db2.gz LTLQOXBTLBPZPI-UHFFFAOYSA-N 1 2 343.431 0.117 20 30 ECEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCOCC(N)=O)CC1=O ZINC000269803046 436669308 /nfs/dbraw/zinc/66/93/08/436669308.db2.gz DWGDQFNPNZKUNS-UHFFFAOYSA-N 1 2 343.387 0.148 20 30 ECEDLO Cn1c(CO[NH+]=C(N)Cc2ccccc2Cl)cc(=O)n(C)c1=O ZINC000067711748 436720574 /nfs/dbraw/zinc/72/05/74/436720574.db2.gz KKQAJGKVHBWXHW-UHFFFAOYSA-N 1 2 336.779 0.769 20 30 ECEDLO CS(=O)(=O)NC1CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000123464127 436740270 /nfs/dbraw/zinc/74/02/70/436740270.db2.gz DFQLWNACNBCBNI-UHFFFAOYSA-N 1 2 333.417 0.720 20 30 ECEDLO C=CCn1c(=O)c2ccc(C(=O)N3CC[NH2+]CC3)cc2[nH]c1=S ZINC000237998386 436750804 /nfs/dbraw/zinc/75/08/04/436750804.db2.gz XGYJYGNPTHJYDR-UHFFFAOYSA-N 1 2 330.413 0.917 20 30 ECEDLO CCNC(=O)N1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000153799590 436763126 /nfs/dbraw/zinc/76/31/26/436763126.db2.gz YNBGJRZYXBHSBZ-MRXNPFEDSA-N 1 2 346.431 0.839 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCOC[C@H]2C2CC2)CC1 ZINC000246013508 436770463 /nfs/dbraw/zinc/77/04/63/436770463.db2.gz KOOWRXKMFKTQIP-SJORKVTESA-N 1 2 334.464 0.790 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCOC[C@H]2C2CC2)CC1 ZINC000246013508 436770467 /nfs/dbraw/zinc/77/04/67/436770467.db2.gz KOOWRXKMFKTQIP-SJORKVTESA-N 1 2 334.464 0.790 20 30 ECEDLO C=CCN(C(=O)C[N@@H+](C)[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 ZINC000154766091 436785132 /nfs/dbraw/zinc/78/51/32/436785132.db2.gz COHITLLRTOSIKS-CHWSQXEVSA-N 1 2 332.491 0.625 20 30 ECEDLO C=CCN(C(=O)C[N@H+](C)[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 ZINC000154766091 436785135 /nfs/dbraw/zinc/78/51/35/436785135.db2.gz COHITLLRTOSIKS-CHWSQXEVSA-N 1 2 332.491 0.625 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CCN1CCC[NH+]1CCOCC1 ZINC000155553091 436798170 /nfs/dbraw/zinc/79/81/70/436798170.db2.gz FKTIQNJMWROUTN-HNNXBMFYSA-N 1 2 330.436 0.581 20 30 ECEDLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000155724182 436802514 /nfs/dbraw/zinc/80/25/14/436802514.db2.gz QQHPDMHLOGQDFK-FZMZJTMJSA-N 1 2 336.417 0.509 20 30 ECEDLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000155724182 436802517 /nfs/dbraw/zinc/80/25/17/436802517.db2.gz QQHPDMHLOGQDFK-FZMZJTMJSA-N 1 2 336.417 0.509 20 30 ECEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000158091029 436839614 /nfs/dbraw/zinc/83/96/14/436839614.db2.gz PCTYNLDGSBNQJH-XJKSGUPXSA-N 1 2 346.431 0.631 20 30 ECEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000158091029 436839618 /nfs/dbraw/zinc/83/96/18/436839618.db2.gz PCTYNLDGSBNQJH-XJKSGUPXSA-N 1 2 346.431 0.631 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000249725332 436826792 /nfs/dbraw/zinc/82/67/92/436826792.db2.gz PLXRBFUKAPGCMX-UONOGXRCSA-N 1 2 329.466 0.589 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000249725332 436826793 /nfs/dbraw/zinc/82/67/93/436826793.db2.gz PLXRBFUKAPGCMX-UONOGXRCSA-N 1 2 329.466 0.589 20 30 ECEDLO C#CCNC(=O)CCN1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000292912924 436835935 /nfs/dbraw/zinc/83/59/35/436835935.db2.gz XEFPGWGMXXDTKW-UHFFFAOYSA-N 1 2 345.443 0.831 20 30 ECEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3sccc3C#N)C[C@@H]21 ZINC000293872437 436915532 /nfs/dbraw/zinc/91/55/32/436915532.db2.gz ZRNPQBKOTPHOTE-RYUDHWBXSA-N 1 2 334.401 0.490 20 30 ECEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3sccc3C#N)C[C@@H]21 ZINC000293872437 436915534 /nfs/dbraw/zinc/91/55/34/436915534.db2.gz ZRNPQBKOTPHOTE-RYUDHWBXSA-N 1 2 334.401 0.490 20 30 ECEDLO Cc1[nH]nc2ncc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)cc12 ZINC000162515494 436908526 /nfs/dbraw/zinc/90/85/26/436908526.db2.gz SVSJIBVTJDUDEW-UHFFFAOYSA-N 1 2 342.403 0.954 20 30 ECEDLO CCN(CC)C(=O)c1ccc(NC(=O)CO[NH+]=C(N)CCO)cc1 ZINC000275456062 436970525 /nfs/dbraw/zinc/97/05/25/436970525.db2.gz JLIUQBLFFOPNRU-UHFFFAOYSA-N 1 2 336.392 0.778 20 30 ECEDLO CC1(C)C[N@H+](CCNC(=O)C(=O)Nc2cccc(C#N)c2)CCO1 ZINC000171298349 436975579 /nfs/dbraw/zinc/97/55/79/436975579.db2.gz HQDAMBUMPWGEQI-UHFFFAOYSA-N 1 2 330.388 0.724 20 30 ECEDLO CC1(C)C[N@@H+](CCNC(=O)C(=O)Nc2cccc(C#N)c2)CCO1 ZINC000171298349 436975581 /nfs/dbraw/zinc/97/55/81/436975581.db2.gz HQDAMBUMPWGEQI-UHFFFAOYSA-N 1 2 330.388 0.724 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)c2nncn2C)CC1 ZINC000275165573 436934527 /nfs/dbraw/zinc/93/45/27/436934527.db2.gz JYIVVHBQTNBBLU-UONOGXRCSA-N 1 2 333.440 0.158 20 30 ECEDLO CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000275807928 437016845 /nfs/dbraw/zinc/01/68/45/437016845.db2.gz NPDKUEKCOQLRKT-ZDUSSCGKSA-N 1 2 345.403 0.974 20 30 ECEDLO NC(=[NH+]OCC(=O)Nc1cccc(C(=O)NC2CC2)c1)[C@@H]1CCCO1 ZINC000284078121 437035492 /nfs/dbraw/zinc/03/54/92/437035492.db2.gz KITREFQSBICUIJ-AWEZNQCLSA-N 1 2 346.387 0.985 20 30 ECEDLO C#CCOc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000275635807 436994283 /nfs/dbraw/zinc/99/42/83/436994283.db2.gz LGSJZGLHJGJQMZ-CQSZACIVSA-N 1 2 345.399 0.162 20 30 ECEDLO COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000275694633 437001233 /nfs/dbraw/zinc/00/12/33/437001233.db2.gz QVEKXLWFNGDQBC-GFCCVEGCSA-N 1 2 346.387 0.030 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000282394328 437012657 /nfs/dbraw/zinc/01/26/57/437012657.db2.gz YDFBCWITXRVGLW-OLZOCXBDSA-N 1 2 340.453 0.187 20 30 ECEDLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1ccc(OCC#N)cc1 ZINC000264586201 437051331 /nfs/dbraw/zinc/05/13/31/437051331.db2.gz DZZOBSJLNFAOIT-UHFFFAOYSA-N 1 2 347.415 0.896 20 30 ECEDLO C=CCCCN(C)C(=O)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000284428798 437053820 /nfs/dbraw/zinc/05/38/20/437053820.db2.gz KTNUBBDQOXNIHC-UHFFFAOYSA-N 1 2 346.431 0.959 20 30 ECEDLO NC(=[NH+]OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCO1 ZINC000284375976 437053974 /nfs/dbraw/zinc/05/39/74/437053974.db2.gz LSNDGBKXEVWVEF-ZDUSSCGKSA-N 1 2 334.332 0.952 20 30 ECEDLO C#Cc1cccc(NC(=O)CNC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)c1 ZINC000264848752 437095522 /nfs/dbraw/zinc/09/55/22/437095522.db2.gz MPBABTDCOHKDLT-INIZCTEOSA-N 1 2 343.431 0.151 20 30 ECEDLO C#Cc1cccc(NC(=O)CNC(=O)NC[C@H]2CN(C)CC[N@H+]2C)c1 ZINC000264848752 437095525 /nfs/dbraw/zinc/09/55/25/437095525.db2.gz MPBABTDCOHKDLT-INIZCTEOSA-N 1 2 343.431 0.151 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000331516609 437112734 /nfs/dbraw/zinc/11/27/34/437112734.db2.gz CERKTJGXDIEMOX-LYRGGWFBSA-N 1 2 335.408 0.103 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000331516609 437112735 /nfs/dbraw/zinc/11/27/35/437112735.db2.gz CERKTJGXDIEMOX-LYRGGWFBSA-N 1 2 335.408 0.103 20 30 ECEDLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000301107043 437112961 /nfs/dbraw/zinc/11/29/61/437112961.db2.gz UJVFPAAAWHMNKY-AWEZNQCLSA-N 1 2 329.404 0.323 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ncccc2OCC)CC1 ZINC000176311198 437140011 /nfs/dbraw/zinc/14/00/11/437140011.db2.gz SNSGWEIMWLAMJD-UHFFFAOYSA-N 1 2 344.415 0.378 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ncccc2OCC)CC1 ZINC000176311198 437140014 /nfs/dbraw/zinc/14/00/14/437140014.db2.gz SNSGWEIMWLAMJD-UHFFFAOYSA-N 1 2 344.415 0.378 20 30 ECEDLO COC(=O)CC[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000322013168 437216630 /nfs/dbraw/zinc/21/66/30/437216630.db2.gz DUSJEEOSJZVMAN-UHFFFAOYSA-N 1 2 337.401 0.428 20 30 ECEDLO C[C@H](CNC(=O)[C@H]1COCCN1CC(F)(F)F)[NH+]1CCOCC1 ZINC000328801681 437265122 /nfs/dbraw/zinc/26/51/22/437265122.db2.gz ZKVDEZBPKGXPHR-VXGBXAGGSA-N 1 2 339.358 0.927 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC(N2CCNC2=O)CC1 ZINC000328805898 437266604 /nfs/dbraw/zinc/26/66/04/437266604.db2.gz HUFIODCOAXLWCT-CYBMUJFWSA-N 1 2 339.440 0.315 20 30 ECEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178729658 437225724 /nfs/dbraw/zinc/22/57/24/437225724.db2.gz DYDQPGUOPBGBEH-HNNXBMFYSA-N 1 2 328.416 0.832 20 30 ECEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)N1CCOCC1 ZINC000332530026 437227801 /nfs/dbraw/zinc/22/78/01/437227801.db2.gz POTBXNJCJZOEIQ-INIZCTEOSA-N 1 2 342.443 0.923 20 30 ECEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000327904222 437235758 /nfs/dbraw/zinc/23/57/58/437235758.db2.gz XUCZDOIIVSPQNO-RISCZKNCSA-N 1 2 342.355 0.949 20 30 ECEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000327904222 437235762 /nfs/dbraw/zinc/23/57/62/437235762.db2.gz XUCZDOIIVSPQNO-RISCZKNCSA-N 1 2 342.355 0.949 20 30 ECEDLO Cn1cc[nH+]c1CNC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000328619262 437241131 /nfs/dbraw/zinc/24/11/31/437241131.db2.gz VUXMKICANSUGDX-NWDGAFQWSA-N 1 2 326.422 0.876 20 30 ECEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)CCn2cncn2)cn1 ZINC000328621438 437242156 /nfs/dbraw/zinc/24/21/56/437242156.db2.gz ALMSDWKEPRUFTF-KBPBESRZSA-N 1 2 335.387 0.971 20 30 ECEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)CCn2cncn2)cn1 ZINC000328621438 437242159 /nfs/dbraw/zinc/24/21/59/437242159.db2.gz ALMSDWKEPRUFTF-KBPBESRZSA-N 1 2 335.387 0.971 20 30 ECEDLO O=C(N[C@H]1CC[S@@](=O)C1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000328677303 437250259 /nfs/dbraw/zinc/25/02/59/437250259.db2.gz ANSCBCWDZSGQJI-QLEMLULZSA-N 1 2 329.466 0.466 20 30 ECEDLO CC(C)(C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC000328679539 437250546 /nfs/dbraw/zinc/25/05/46/437250546.db2.gz MZTFLJQMKCREGS-LBPRGKRZSA-N 1 2 333.454 0.335 20 30 ECEDLO O=C(NCC[NH+]1CCOCC1)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000328683471 437251060 /nfs/dbraw/zinc/25/10/60/437251060.db2.gz DLYQREOMGRXIQB-LSDHHAIUSA-N 1 2 341.452 0.390 20 30 ECEDLO CS(=O)(=O)N1CCC[C@@H]1C[NH+]=C([O-])N1CCn2cc[nH+]c2C1 ZINC000328750504 437258843 /nfs/dbraw/zinc/25/88/43/437258843.db2.gz RGJRJBOZXSOTBT-LLVKDONJSA-N 1 2 327.410 0.037 20 30 ECEDLO CCn1ncnc1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000328748600 437259451 /nfs/dbraw/zinc/25/94/51/437259451.db2.gz QMPBQUAUHQKXSY-UHFFFAOYSA-N 1 2 329.408 0.925 20 30 ECEDLO C[C@H]1CCN(C(=O)NCCn2cnc(C#N)n2)C[C@H]1n1cc[nH+]c1 ZINC000287970718 437260808 /nfs/dbraw/zinc/26/08/08/437260808.db2.gz VQXLWESQTAZHLR-QWHCGFSZSA-N 1 2 328.380 0.639 20 30 ECEDLO CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000328759960 437261488 /nfs/dbraw/zinc/26/14/88/437261488.db2.gz WVPULXLKKISSMQ-QWHCGFSZSA-N 1 2 333.454 0.335 20 30 ECEDLO CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000328759960 437261492 /nfs/dbraw/zinc/26/14/92/437261492.db2.gz WVPULXLKKISSMQ-QWHCGFSZSA-N 1 2 333.454 0.335 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000336898817 437308539 /nfs/dbraw/zinc/30/85/39/437308539.db2.gz AOAWJBUUPCHZSH-UHFFFAOYSA-N 1 2 337.449 0.680 20 30 ECEDLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(C)c2)CC1 ZINC000278056583 437276929 /nfs/dbraw/zinc/27/69/29/437276929.db2.gz RYEAEROREICIIC-OAHLLOKOSA-N 1 2 337.445 0.944 20 30 ECEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000334075066 437297212 /nfs/dbraw/zinc/29/72/12/437297212.db2.gz OIRJNXYWWPXOFN-RYUDHWBXSA-N 1 2 329.422 0.040 20 30 ECEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000334075066 437297216 /nfs/dbraw/zinc/29/72/16/437297216.db2.gz OIRJNXYWWPXOFN-RYUDHWBXSA-N 1 2 329.422 0.040 20 30 ECEDLO O=C(NC[C@H]1CCCS(=O)(=O)C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000329255216 437341350 /nfs/dbraw/zinc/34/13/50/437341350.db2.gz AASWDQCQPITHOK-KGLIPLIRSA-N 1 2 329.466 0.895 20 30 ECEDLO O=C(NC[C@H]1CCCS(=O)(=O)C1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000329255216 437341356 /nfs/dbraw/zinc/34/13/56/437341356.db2.gz AASWDQCQPITHOK-KGLIPLIRSA-N 1 2 329.466 0.895 20 30 ECEDLO Cc1nc([C@@H]2CN(C(=O)NC[C@@H](C)[NH+]3CCOCC3)CCO2)no1 ZINC000329316236 437352252 /nfs/dbraw/zinc/35/22/52/437352252.db2.gz HLBOYPFFYWYGEY-YPMHNXCESA-N 1 2 339.396 0.386 20 30 ECEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000337364617 437355442 /nfs/dbraw/zinc/35/54/42/437355442.db2.gz JLIOJFWEZCQMIO-UGSOOPFHSA-N 1 2 347.463 0.080 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337384547 437358650 /nfs/dbraw/zinc/35/86/50/437358650.db2.gz DMMGEPJITLTMRD-CHWSQXEVSA-N 1 2 327.450 0.836 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337384547 437358653 /nfs/dbraw/zinc/35/86/53/437358653.db2.gz DMMGEPJITLTMRD-CHWSQXEVSA-N 1 2 327.450 0.836 20 30 ECEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@]3(C)CCOC3)ccn2)CC1 ZINC000329406866 437363785 /nfs/dbraw/zinc/36/37/85/437363785.db2.gz CVRLTCXESCALHM-QGZVFWFLSA-N 1 2 347.419 0.783 20 30 ECEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCN4C(=O)NC[C@@H]4C3)C2=O)cc1 ZINC000182834438 437364548 /nfs/dbraw/zinc/36/45/48/437364548.db2.gz ZMVBOWDLUHELFF-HZPDHXFCSA-N 1 2 339.399 0.763 20 30 ECEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCN4C(=O)NC[C@@H]4C3)C2=O)cc1 ZINC000182834438 437364553 /nfs/dbraw/zinc/36/45/53/437364553.db2.gz ZMVBOWDLUHELFF-HZPDHXFCSA-N 1 2 339.399 0.763 20 30 ECEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCN4C(=O)NC[C@@H]4C3)C2=O)cc1 ZINC000182834421 437364648 /nfs/dbraw/zinc/36/46/48/437364648.db2.gz ZMVBOWDLUHELFF-CVEARBPZSA-N 1 2 339.399 0.763 20 30 ECEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCN4C(=O)NC[C@@H]4C3)C2=O)cc1 ZINC000182834421 437364650 /nfs/dbraw/zinc/36/46/50/437364650.db2.gz ZMVBOWDLUHELFF-CVEARBPZSA-N 1 2 339.399 0.763 20 30 ECEDLO N#Cc1cccc(-c2cc(C(=O)N3CC[NH+](CCO)CC3)on2)c1 ZINC000279065644 437370398 /nfs/dbraw/zinc/37/03/98/437370398.db2.gz SMDMMVBSNGYZDA-UHFFFAOYSA-N 1 2 326.356 0.963 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(-c3ccoc3)n2C)CC1 ZINC000337662739 437375958 /nfs/dbraw/zinc/37/59/58/437375958.db2.gz JSVLYALIZYIMFM-UHFFFAOYSA-N 1 2 330.392 0.499 20 30 ECEDLO C[C@@]([NH2+]CC(=O)N(CCC#N)CCC#N)(C(N)=O)c1ccccc1 ZINC000337648115 437376020 /nfs/dbraw/zinc/37/60/20/437376020.db2.gz JOJSGZDSDLBOOB-KRWDZBQOSA-N 1 2 327.388 0.633 20 30 ECEDLO CC(C)[C@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)N1CCCS1(=O)=O ZINC000329152529 437326635 /nfs/dbraw/zinc/32/66/35/437326635.db2.gz ASNJPUKCPANZHS-QWHCGFSZSA-N 1 2 333.454 0.334 20 30 ECEDLO CC(C)[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)N1CCCS1(=O)=O ZINC000329152529 437326639 /nfs/dbraw/zinc/32/66/39/437326639.db2.gz ASNJPUKCPANZHS-QWHCGFSZSA-N 1 2 333.454 0.334 20 30 ECEDLO Cn1cc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2ccc(C#N)cc2)cn1 ZINC000181690643 437327836 /nfs/dbraw/zinc/32/78/36/437327836.db2.gz HFPNULZMNCLSTQ-HNNXBMFYSA-N 1 2 331.401 0.627 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000337154652 437336717 /nfs/dbraw/zinc/33/67/17/437336717.db2.gz NAVOCRGRWIAFAT-AWEZNQCLSA-N 1 2 346.497 0.755 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000337154652 437336724 /nfs/dbraw/zinc/33/67/24/437336724.db2.gz NAVOCRGRWIAFAT-AWEZNQCLSA-N 1 2 346.497 0.755 20 30 ECEDLO O=C(NCC[NH+]1CCSCC1)NC[C@H]1CCCS(=O)(=O)C1 ZINC000329238113 437339716 /nfs/dbraw/zinc/33/97/16/437339716.db2.gz PKRGFXFIKUQYSY-GFCCVEGCSA-N 1 2 335.495 0.364 20 30 ECEDLO CC[C@@H]1CN(C(=O)NC[C@@H]2CCCS2(=O)=O)CC[N@@H+]1C[C@H](C)O ZINC000329756746 437409227 /nfs/dbraw/zinc/40/92/27/437409227.db2.gz MMKNRDYNETUJJA-MJBXVCDLSA-N 1 2 347.481 0.255 20 30 ECEDLO CC[C@@H]1CN(C(=O)NC[C@@H]2CCCS2(=O)=O)CC[N@H+]1C[C@H](C)O ZINC000329756746 437409231 /nfs/dbraw/zinc/40/92/31/437409231.db2.gz MMKNRDYNETUJJA-MJBXVCDLSA-N 1 2 347.481 0.255 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCC#Cc1cccc(F)c1 ZINC000338727528 437415218 /nfs/dbraw/zinc/41/52/18/437415218.db2.gz BRDKLMVSXKGDLM-QGZVFWFLSA-N 1 2 349.406 0.512 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCC#Cc2cccc(F)c2)CC1 ZINC000338729044 437416038 /nfs/dbraw/zinc/41/60/38/437416038.db2.gz WMOAGQHKRZHMKG-UHFFFAOYSA-N 1 2 346.406 0.768 20 30 ECEDLO C[C@@H]1CS(=O)(=O)CCN1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000329809608 437416804 /nfs/dbraw/zinc/41/68/04/437416804.db2.gz QEDUEYANNJDYBM-NEPJUHHUSA-N 1 2 326.422 0.793 20 30 ECEDLO CC(C)c1nnc(CNC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)s1 ZINC000329845188 437421270 /nfs/dbraw/zinc/42/12/70/437421270.db2.gz QELSQCHASWMWGY-NSHDSACASA-N 1 2 326.470 0.911 20 30 ECEDLO CC(C)c1nnc(CNC(=O)NC[C@H]2CN(C)CC[N@H+]2C)s1 ZINC000329845188 437421274 /nfs/dbraw/zinc/42/12/74/437421274.db2.gz QELSQCHASWMWGY-NSHDSACASA-N 1 2 326.470 0.911 20 30 ECEDLO N#CCCOCC[NH+]1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000338894475 437423638 /nfs/dbraw/zinc/42/36/38/437423638.db2.gz OSTLRSVDRAKJPU-UHFFFAOYSA-N 1 2 344.481 0.655 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1cnc(N(C)C)nc1 ZINC000329508159 437377726 /nfs/dbraw/zinc/37/77/26/437377726.db2.gz LXZGPUDEQDXJNW-ZDUSSCGKSA-N 1 2 336.440 0.609 20 30 ECEDLO CCc1nnc(N2CC[NH+](C(C)(C)C(N)=O)CC2)c(C#N)c1CC ZINC000268168057 437377806 /nfs/dbraw/zinc/37/78/06/437377806.db2.gz IMFHPHUWLBVFMT-UHFFFAOYSA-N 1 2 330.436 0.859 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N(C)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000337771019 437378644 /nfs/dbraw/zinc/37/86/44/437378644.db2.gz OGSHNLRZXOTPMW-BFHYXJOUSA-N 1 2 332.470 0.506 20 30 ECEDLO CS(=O)(=O)C1(CNC([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000329542084 437381299 /nfs/dbraw/zinc/38/12/99/437381299.db2.gz DTDPRITXIJLTIP-SNVBAGLBSA-N 1 2 326.422 0.738 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCc3ccc4c(c3)OCCO4)C[C@@H]21 ZINC000329566042 437383602 /nfs/dbraw/zinc/38/36/02/437383602.db2.gz HJUWADLIIWNCCS-XJKSGUPXSA-N 1 2 333.388 0.887 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCc3ccc4c(c3)OCCO4)C[C@@H]21 ZINC000329566042 437383603 /nfs/dbraw/zinc/38/36/03/437383603.db2.gz HJUWADLIIWNCCS-XJKSGUPXSA-N 1 2 333.388 0.887 20 30 ECEDLO Cn1nc(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)[nH]c1=O ZINC000329576762 437386175 /nfs/dbraw/zinc/38/61/75/437386175.db2.gz KCRPFJBSOQCNAD-GFCCVEGCSA-N 1 2 334.355 0.848 20 30 ECEDLO Cn1nc(C[N@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)[nH]c1=O ZINC000329576762 437386178 /nfs/dbraw/zinc/38/61/78/437386178.db2.gz KCRPFJBSOQCNAD-GFCCVEGCSA-N 1 2 334.355 0.848 20 30 ECEDLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1 ZINC000337973139 437386265 /nfs/dbraw/zinc/38/62/65/437386265.db2.gz AOPSCAHZPGRCHG-OLZOCXBDSA-N 1 2 346.453 0.034 20 30 ECEDLO C[C@@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@H]1n1cc[nH+]c1 ZINC000268250255 437389485 /nfs/dbraw/zinc/38/94/85/437389485.db2.gz JYMKPVWIOINKST-DGCLKSJQSA-N 1 2 328.376 0.240 20 30 ECEDLO N#CCC1(CS(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000329628882 437393497 /nfs/dbraw/zinc/39/34/97/437393497.db2.gz VXSWTAWTGGCWCJ-CQSZACIVSA-N 1 2 327.450 0.664 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCO[C@]2(CCO[C@H]2C)C1 ZINC000329916858 437431258 /nfs/dbraw/zinc/43/12/58/437431258.db2.gz QMESXWWOCLDIED-IJEWVQPXSA-N 1 2 327.425 0.501 20 30 ECEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H]1CC(=O)N(C)C1 ZINC000330252775 437474844 /nfs/dbraw/zinc/47/48/44/437474844.db2.gz AHMVDRQULSCGKO-LBPRGKRZSA-N 1 2 333.392 0.783 20 30 ECEDLO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000330257111 437476911 /nfs/dbraw/zinc/47/69/11/437476911.db2.gz LEMFJINJFWVRQX-KBPBESRZSA-N 1 2 348.451 0.692 20 30 ECEDLO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000330257111 437476914 /nfs/dbraw/zinc/47/69/14/437476914.db2.gz LEMFJINJFWVRQX-KBPBESRZSA-N 1 2 348.451 0.692 20 30 ECEDLO CCN1CCN(C([O-])=[NH+][C@@H]2CCc3ncnn3C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330282164 437478754 /nfs/dbraw/zinc/47/87/54/437478754.db2.gz AKQXQFFLGAPOOJ-OLZOCXBDSA-N 1 2 344.423 0.609 20 30 ECEDLO NC(CN1CCOCC1)=[NH+]OCc1nc(-c2ccccc2F)no1 ZINC000186775216 437485519 /nfs/dbraw/zinc/48/55/19/437485519.db2.gz PNRXMZPAXIFQKE-UHFFFAOYSA-N 1 2 335.339 0.997 20 30 ECEDLO Cn1c(CO[NH+]=C(N)COc2cccc(F)c2)cc(=O)n(C)c1=O ZINC000186826347 437485752 /nfs/dbraw/zinc/48/57/52/437485752.db2.gz VRHBJLDGCINOLG-UHFFFAOYSA-N 1 2 336.323 0.091 20 30 ECEDLO C[C@@H](NC(=O)C(C)(C)C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000343040849 437485911 /nfs/dbraw/zinc/48/59/11/437485911.db2.gz UICYRJSSICHNRN-CQSZACIVSA-N 1 2 338.452 0.612 20 30 ECEDLO CN1CCO[C@@H]2C[N@H+](CC(=O)NCc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000329944499 437435009 /nfs/dbraw/zinc/43/50/09/437435009.db2.gz FHEHJLMHQKTBOT-XJKSGUPXSA-N 1 2 333.388 0.887 20 30 ECEDLO CN1CCO[C@@H]2C[N@@H+](CC(=O)NCc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000329944499 437435012 /nfs/dbraw/zinc/43/50/12/437435012.db2.gz FHEHJLMHQKTBOT-XJKSGUPXSA-N 1 2 333.388 0.887 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(CC(=O)NCc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000329944499 437435014 /nfs/dbraw/zinc/43/50/14/437435014.db2.gz FHEHJLMHQKTBOT-XJKSGUPXSA-N 1 2 333.388 0.887 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(CC(=O)NCc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000329944499 437435015 /nfs/dbraw/zinc/43/50/15/437435015.db2.gz FHEHJLMHQKTBOT-XJKSGUPXSA-N 1 2 333.388 0.887 20 30 ECEDLO C[C@H](CNC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1)[NH+]1CCOCC1 ZINC000329945688 437436118 /nfs/dbraw/zinc/43/61/18/437436118.db2.gz FXWSKAKHCLVKOX-PBHICJAKSA-N 1 2 341.452 0.891 20 30 ECEDLO CCN1CN(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CC1=O ZINC000330149003 437459484 /nfs/dbraw/zinc/45/94/84/437459484.db2.gz JVIZWZUQZKVOLK-UHFFFAOYSA-N 1 2 333.392 0.894 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000330391571 437500092 /nfs/dbraw/zinc/50/00/92/437500092.db2.gz PHTRSQURAXIASP-LSDHHAIUSA-N 1 2 344.481 0.367 20 30 ECEDLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)N(CC)C[C@@H](C)C#N)CC1 ZINC000330404103 437503527 /nfs/dbraw/zinc/50/35/27/437503527.db2.gz VRWNRMTUYRGIPX-KBPBESRZSA-N 1 2 332.470 0.101 20 30 ECEDLO C=CCCCNC(=O)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000339987547 437542473 /nfs/dbraw/zinc/54/24/73/437542473.db2.gz LDSPCKDZYSRBNY-HNNXBMFYSA-N 1 2 325.453 0.932 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000330368877 437492049 /nfs/dbraw/zinc/49/20/49/437492049.db2.gz ASVDEXDQAROGJT-CQSZACIVSA-N 1 2 337.449 0.930 20 30 ECEDLO COC(=O)CN1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000330596609 437563443 /nfs/dbraw/zinc/56/34/43/437563443.db2.gz DDBNNCPGFCNFHS-CQSZACIVSA-N 1 2 336.436 0.508 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000330954881 437656942 /nfs/dbraw/zinc/65/69/42/437656942.db2.gz SYSZOUCEVPQSFT-HZPDHXFCSA-N 1 2 337.464 0.980 20 30 ECEDLO Cn1c[nH+]cc1CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000292107972 437659696 /nfs/dbraw/zinc/65/96/96/437659696.db2.gz VYMBMKXFUVYIQB-UHFFFAOYSA-N 1 2 325.376 0.719 20 30 ECEDLO C=CCOCC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000354938331 437660028 /nfs/dbraw/zinc/66/00/28/437660028.db2.gz BHGUUUDOXQQRNO-UHFFFAOYSA-N 1 2 332.404 0.602 20 30 ECEDLO COC(=O)c1cn([C@H]2CC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)nn1 ZINC000355034924 437664573 /nfs/dbraw/zinc/66/45/73/437664573.db2.gz LPCSXVIBGXUKCF-LRDDRELGSA-N 1 2 346.391 0.120 20 30 ECEDLO COC(=O)c1cn([C@H]2CC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)nn1 ZINC000355034924 437664578 /nfs/dbraw/zinc/66/45/78/437664578.db2.gz LPCSXVIBGXUKCF-LRDDRELGSA-N 1 2 346.391 0.120 20 30 ECEDLO C[C@H](O)C[C@H]1COCCN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000330999010 437668178 /nfs/dbraw/zinc/66/81/78/437668178.db2.gz PMOXYWVEUYZSPA-KBPBESRZSA-N 1 2 329.441 0.483 20 30 ECEDLO C[C@H](O)C[C@H]1COCCN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000330999010 437668184 /nfs/dbraw/zinc/66/81/84/437668184.db2.gz PMOXYWVEUYZSPA-KBPBESRZSA-N 1 2 329.441 0.483 20 30 ECEDLO C=CCSCCNC(=O)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000355299847 437694563 /nfs/dbraw/zinc/69/45/63/437694563.db2.gz QNDNWSXGCGQVIR-ZIAGYGMSSA-N 1 2 343.493 0.589 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1cc(OC(F)F)n(C)n1 ZINC000331201373 437714390 /nfs/dbraw/zinc/71/43/90/437714390.db2.gz VMPZYSOHQYWFSC-SECBINFHSA-N 1 2 333.339 1.068 20 30 ECEDLO C[C@@H]1CN(C(=O)NCCCS(C)(=O)=O)CC[N@@H+]1CC(C)(C)O ZINC000331231285 437722529 /nfs/dbraw/zinc/72/25/29/437722529.db2.gz QMLFOHBKPGUYDA-GFCCVEGCSA-N 1 2 335.470 0.112 20 30 ECEDLO C[C@@H]1CN(C(=O)NCCCS(C)(=O)=O)CC[N@H+]1CC(C)(C)O ZINC000331231285 437722532 /nfs/dbraw/zinc/72/25/32/437722532.db2.gz QMLFOHBKPGUYDA-GFCCVEGCSA-N 1 2 335.470 0.112 20 30 ECEDLO CCOC(=O)c1cnc(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)n1C ZINC000331245865 437725319 /nfs/dbraw/zinc/72/53/19/437725319.db2.gz UJWQVVLNOJLAIJ-NSHDSACASA-N 1 2 338.412 0.169 20 30 ECEDLO CCOC(=O)c1cnc(NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)n1C ZINC000331245865 437725321 /nfs/dbraw/zinc/72/53/21/437725321.db2.gz UJWQVVLNOJLAIJ-NSHDSACASA-N 1 2 338.412 0.169 20 30 ECEDLO Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1CNC(=O)c1cnn(C)c1C#N ZINC000356090309 437746314 /nfs/dbraw/zinc/74/63/14/437746314.db2.gz MDLVPEINULVXTN-VXGBXAGGSA-N 1 2 345.382 0.368 20 30 ECEDLO C=CCCC1(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000356119206 437750254 /nfs/dbraw/zinc/75/02/54/437750254.db2.gz RPVKLSOEQRLCKX-HNNXBMFYSA-N 1 2 335.448 0.782 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000364525941 437817279 /nfs/dbraw/zinc/81/72/79/437817279.db2.gz XCGRDKWNMYBSKI-UHFFFAOYSA-N 1 2 333.392 0.174 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000364525941 437817281 /nfs/dbraw/zinc/81/72/81/437817281.db2.gz XCGRDKWNMYBSKI-UHFFFAOYSA-N 1 2 333.392 0.174 20 30 ECEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000346978539 437822792 /nfs/dbraw/zinc/82/27/92/437822792.db2.gz JTCTVNVJQAUWOC-QWHCGFSZSA-N 1 2 327.450 0.836 20 30 ECEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000346978539 437822797 /nfs/dbraw/zinc/82/27/97/437822797.db2.gz JTCTVNVJQAUWOC-QWHCGFSZSA-N 1 2 327.450 0.836 20 30 ECEDLO C=CCCCNC(=O)C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000341058546 437784511 /nfs/dbraw/zinc/78/45/11/437784511.db2.gz IYKNTXUZKKOWFU-ZDUSSCGKSA-N 1 2 347.419 0.110 20 30 ECEDLO C[NH+](C)[C@H](CNC(=O)NCC(=O)NCC#N)c1c(F)cccc1F ZINC000345397653 437788363 /nfs/dbraw/zinc/78/83/63/437788363.db2.gz WPABIKQHHQPBGQ-GFCCVEGCSA-N 1 2 339.346 0.506 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCc2nn(CCC)c(=O)cc2C1 ZINC000364410762 437815448 /nfs/dbraw/zinc/81/54/48/437815448.db2.gz BCZAESRLCMHJTP-GFCCVEGCSA-N 1 2 347.419 0.412 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCc2nn(CCC)c(=O)cc2C1 ZINC000364410762 437815452 /nfs/dbraw/zinc/81/54/52/437815452.db2.gz BCZAESRLCMHJTP-GFCCVEGCSA-N 1 2 347.419 0.412 20 30 ECEDLO Cc1nc(C(=O)N2CCO[C@@H](C[NH+]3CCN(C)CC3)C2)ccc1C#N ZINC000370769067 437835998 /nfs/dbraw/zinc/83/59/98/437835998.db2.gz YMKKQCPRNSAQSM-INIZCTEOSA-N 1 2 343.431 0.350 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000370865739 437854358 /nfs/dbraw/zinc/85/43/58/437854358.db2.gz YOQIOAAPJMDLHK-ZIAGYGMSSA-N 1 2 344.481 0.397 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000370865739 437854363 /nfs/dbraw/zinc/85/43/63/437854363.db2.gz YOQIOAAPJMDLHK-ZIAGYGMSSA-N 1 2 344.481 0.397 20 30 ECEDLO COCC1(C#N)CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000341531263 437861284 /nfs/dbraw/zinc/86/12/84/437861284.db2.gz ONXCENAVQJESEY-UHFFFAOYSA-N 1 2 336.436 0.813 20 30 ECEDLO COc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000357091923 437909560 /nfs/dbraw/zinc/90/95/60/437909560.db2.gz XNYUOUWJFXGZRC-LBPRGKRZSA-N 1 2 346.387 0.342 20 30 ECEDLO COc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000357091923 437909565 /nfs/dbraw/zinc/90/95/65/437909565.db2.gz XNYUOUWJFXGZRC-LBPRGKRZSA-N 1 2 346.387 0.342 20 30 ECEDLO CNC(=O)C[N@@H+]1CCCN(C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000365930676 437991842 /nfs/dbraw/zinc/99/18/42/437991842.db2.gz HOJXOQCYYAUBJF-UHFFFAOYSA-N 1 2 333.367 0.983 20 30 ECEDLO CNC(=O)C[N@H+]1CCCN(C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000365930676 437991846 /nfs/dbraw/zinc/99/18/46/437991846.db2.gz HOJXOQCYYAUBJF-UHFFFAOYSA-N 1 2 333.367 0.983 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCO[C@@H](CCC)C2)CC1 ZINC000371669956 437975770 /nfs/dbraw/zinc/97/57/70/437975770.db2.gz ISSNLVWTGIOJOT-IRXDYDNUSA-N 1 2 349.475 0.865 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCO[C@@H](CCC)C2)CC1 ZINC000371669956 437975775 /nfs/dbraw/zinc/97/57/75/437975775.db2.gz ISSNLVWTGIOJOT-IRXDYDNUSA-N 1 2 349.475 0.865 20 30 ECEDLO N#CCSc1cccc(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)c1 ZINC000365913128 437987016 /nfs/dbraw/zinc/98/70/16/437987016.db2.gz WIYGHYUERHDPOG-UHFFFAOYSA-N 1 2 332.429 0.935 20 30 ECEDLO N#CCSc1cccc(C(=O)N2CCC[N@H+](CC(N)=O)CC2)c1 ZINC000365913128 437987023 /nfs/dbraw/zinc/98/70/23/437987023.db2.gz WIYGHYUERHDPOG-UHFFFAOYSA-N 1 2 332.429 0.935 20 30 ECEDLO C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2C)c1 ZINC000348301381 438045527 /nfs/dbraw/zinc/04/55/27/438045527.db2.gz JUNOLVVATCKQLM-CYBMUJFWSA-N 1 2 337.445 0.927 20 30 ECEDLO C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2C)c1 ZINC000348301381 438045532 /nfs/dbraw/zinc/04/55/32/438045532.db2.gz JUNOLVVATCKQLM-CYBMUJFWSA-N 1 2 337.445 0.927 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000425897107 438046828 /nfs/dbraw/zinc/04/68/28/438046828.db2.gz ZWTZGRHKPMJIML-KKUMJFAQSA-N 1 2 344.415 0.484 20 30 ECEDLO C=CCOCCC[NH+]1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000348052818 438006810 /nfs/dbraw/zinc/00/68/10/438006810.db2.gz UKGSDNAVQODOKT-UHFFFAOYSA-N 1 2 342.465 0.628 20 30 ECEDLO C[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC[N@@H+]1CCO ZINC000428168250 438086824 /nfs/dbraw/zinc/08/68/24/438086824.db2.gz UPNYRXAKGDYTNU-DYVFJYSZSA-N 1 2 339.436 0.773 20 30 ECEDLO C[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC[N@H+]1CCO ZINC000428168250 438086827 /nfs/dbraw/zinc/08/68/27/438086827.db2.gz UPNYRXAKGDYTNU-DYVFJYSZSA-N 1 2 339.436 0.773 20 30 ECEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)c(C#N)c1C ZINC000366440031 438073207 /nfs/dbraw/zinc/07/32/07/438073207.db2.gz NZZBJQWEYDMRNK-ZYHUDNBSSA-N 1 2 330.344 0.301 20 30 ECEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)c(C#N)c1C ZINC000366440031 438073212 /nfs/dbraw/zinc/07/32/12/438073212.db2.gz NZZBJQWEYDMRNK-ZYHUDNBSSA-N 1 2 330.344 0.301 20 30 ECEDLO COC(=O)CN(CC#N)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000348803303 438104072 /nfs/dbraw/zinc/10/40/72/438104072.db2.gz WJULXZBNZBCQKJ-UHFFFAOYSA-N 1 2 343.299 0.919 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2sccc2C#N)CC1 ZINC000372624256 438105791 /nfs/dbraw/zinc/10/57/91/438105791.db2.gz AMBJZFYBXDISHB-UHFFFAOYSA-N 1 2 330.413 0.517 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2sccc2C#N)CC1 ZINC000372624256 438105795 /nfs/dbraw/zinc/10/57/95/438105795.db2.gz AMBJZFYBXDISHB-UHFFFAOYSA-N 1 2 330.413 0.517 20 30 ECEDLO C=CCN1CC[C@H](N(C)C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1=O ZINC000374051501 438185330 /nfs/dbraw/zinc/18/53/30/438185330.db2.gz NYKWKAUPXATGIB-JKSUJKDBSA-N 1 2 335.448 0.875 20 30 ECEDLO C=CCN1CC[C@H](N(C)C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1=O ZINC000374051501 438185334 /nfs/dbraw/zinc/18/53/34/438185334.db2.gz NYKWKAUPXATGIB-JKSUJKDBSA-N 1 2 335.448 0.875 20 30 ECEDLO CCOC(=O)CN(C)C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367064762 438161072 /nfs/dbraw/zinc/16/10/72/438161072.db2.gz FKAROUGEMFAXPN-UHFFFAOYSA-N 1 2 344.415 0.960 20 30 ECEDLO N#C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@]12c1ccccc1NC2=O ZINC000374367896 438204656 /nfs/dbraw/zinc/20/46/56/438204656.db2.gz SGRASGFBJMQFIU-XIKOKIGWSA-N 1 2 338.367 0.481 20 30 ECEDLO N#C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@]12c1ccccc1NC2=O ZINC000374367896 438204660 /nfs/dbraw/zinc/20/46/60/438204660.db2.gz SGRASGFBJMQFIU-XIKOKIGWSA-N 1 2 338.367 0.481 20 30 ECEDLO N#Cc1c(N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)nc2ccccn12 ZINC000376269646 438278063 /nfs/dbraw/zinc/27/80/63/438278063.db2.gz IYEHEULHTQJUFW-CQSZACIVSA-N 1 2 338.415 0.997 20 30 ECEDLO C=CC1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000377603736 438312966 /nfs/dbraw/zinc/31/29/66/438312966.db2.gz CNCIIJHMHIRVJJ-MRXNPFEDSA-N 1 2 335.448 0.592 20 30 ECEDLO N#CC1(C(=O)N[C@H]2CCCN(CC[NH+]3CCOCC3)C2=O)CCC1 ZINC000378579681 438405165 /nfs/dbraw/zinc/40/51/65/438405165.db2.gz OXRZBKRMALUMTA-AWEZNQCLSA-N 1 2 334.420 0.120 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccccc2)C1 ZINC000369032617 438413441 /nfs/dbraw/zinc/41/34/41/438413441.db2.gz NMNBWUPFMDEMJQ-LSDHHAIUSA-N 1 2 349.456 0.567 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccccc2)C1 ZINC000369032617 438413443 /nfs/dbraw/zinc/41/34/43/438413443.db2.gz NMNBWUPFMDEMJQ-LSDHHAIUSA-N 1 2 349.456 0.567 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@H]3C[C@@H](O)C3)CC2)cc1 ZINC000420910285 438447471 /nfs/dbraw/zinc/44/74/71/438447471.db2.gz ZQWNXSNICRTEML-GASCZTMLSA-N 1 2 335.429 0.635 20 30 ECEDLO COc1cncc(N2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)n1 ZINC000369352351 438458258 /nfs/dbraw/zinc/45/82/58/438458258.db2.gz DSVXSFASIMLTHG-ZDUSSCGKSA-N 1 2 332.408 0.368 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cc(OC)ncn2)CC1 ZINC000359573250 438460872 /nfs/dbraw/zinc/46/08/72/438460872.db2.gz UVZMIDLOCOKZAH-LBPRGKRZSA-N 1 2 348.407 0.008 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H]2CCC[C@H](OC)C2)CC1 ZINC000369797424 438515645 /nfs/dbraw/zinc/51/56/45/438515645.db2.gz VGTWPWOXGOREMI-IRXDYDNUSA-N 1 2 349.475 0.865 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2CCC[C@H](OC)C2)CC1 ZINC000369797424 438515651 /nfs/dbraw/zinc/51/56/51/438515651.db2.gz VGTWPWOXGOREMI-IRXDYDNUSA-N 1 2 349.475 0.865 20 30 ECEDLO Cn1ncc(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)c1C#N ZINC000353851219 438543787 /nfs/dbraw/zinc/54/37/87/438543787.db2.gz LECINUWVYKGEOS-UHFFFAOYSA-N 1 2 326.360 0.453 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(c2nc([C@H](C)OC)ns2)CC1 ZINC000370286593 438567666 /nfs/dbraw/zinc/56/76/66/438567666.db2.gz XCDAMSXPDGWXPH-LBPRGKRZSA-N 1 2 337.449 0.507 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2nc([C@H](C)OC)ns2)CC1 ZINC000370286593 438567667 /nfs/dbraw/zinc/56/76/67/438567667.db2.gz XCDAMSXPDGWXPH-LBPRGKRZSA-N 1 2 337.449 0.507 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)C[C@H]1C ZINC000408406922 438568578 /nfs/dbraw/zinc/56/85/78/438568578.db2.gz VRRIICANDKTBGF-MNOVXSKESA-N 1 2 329.447 0.695 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)C[C@H]1C ZINC000408406922 438568581 /nfs/dbraw/zinc/56/85/81/438568581.db2.gz VRRIICANDKTBGF-MNOVXSKESA-N 1 2 329.447 0.695 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)CC(C)(C)CC#N)C[C@H]1[NH+]1CCOCC1 ZINC000408459309 438576861 /nfs/dbraw/zinc/57/68/61/438576861.db2.gz ICEOOKZWNRVEFG-ZIAGYGMSSA-N 1 2 329.466 0.909 20 30 ECEDLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000452100141 438639462 /nfs/dbraw/zinc/63/94/62/438639462.db2.gz DCMMRTOSASBRKC-LBPRGKRZSA-N 1 2 341.408 0.526 20 30 ECEDLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000452100141 438639465 /nfs/dbraw/zinc/63/94/65/438639465.db2.gz DCMMRTOSASBRKC-LBPRGKRZSA-N 1 2 341.408 0.526 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000452100907 438641130 /nfs/dbraw/zinc/64/11/30/438641130.db2.gz FPHFLNFVSLSEJL-SNVBAGLBSA-N 1 2 345.371 0.524 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000452100907 438641133 /nfs/dbraw/zinc/64/11/33/438641133.db2.gz FPHFLNFVSLSEJL-SNVBAGLBSA-N 1 2 345.371 0.524 20 30 ECEDLO COC(=O)[C@@H]1CSCC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000412090160 438685152 /nfs/dbraw/zinc/68/51/52/438685152.db2.gz XWMKAGQAOGAQAU-UONOGXRCSA-N 1 2 333.413 0.923 20 30 ECEDLO COC(=O)[C@@H]1CSCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000412090160 438685155 /nfs/dbraw/zinc/68/51/55/438685155.db2.gz XWMKAGQAOGAQAU-UONOGXRCSA-N 1 2 333.413 0.923 20 30 ECEDLO C[N@H+](CCC#N)C[C@H](O)CN1C(=O)C[C@@H](Cc2ccccc2)C1=O ZINC000414128801 438699925 /nfs/dbraw/zinc/69/99/25/438699925.db2.gz SYBAQDQQBVEDCT-CVEARBPZSA-N 1 2 329.400 0.811 20 30 ECEDLO C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)C[C@@H](Cc2ccccc2)C1=O ZINC000414128801 438699929 /nfs/dbraw/zinc/69/99/29/438699929.db2.gz SYBAQDQQBVEDCT-CVEARBPZSA-N 1 2 329.400 0.811 20 30 ECEDLO C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000414101216 438700198 /nfs/dbraw/zinc/70/01/98/438700198.db2.gz TUGBPKQVMSGCCL-RHSMWYFYSA-N 1 2 330.388 0.660 20 30 ECEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000414101216 438700201 /nfs/dbraw/zinc/70/02/01/438700201.db2.gz TUGBPKQVMSGCCL-RHSMWYFYSA-N 1 2 330.388 0.660 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(CC)n2CC(C)C)CC1 ZINC000549429469 438736070 /nfs/dbraw/zinc/73/60/70/438736070.db2.gz UOWHHJGLNLIVNW-UHFFFAOYSA-N 1 2 334.468 0.921 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000576803386 438799546 /nfs/dbraw/zinc/79/95/46/438799546.db2.gz VBUWKPFODGHAIW-OKZBNKHCSA-N 1 2 343.427 0.813 20 30 ECEDLO CC(C)(C)OC(=O)N1CCC([C@H](O)C[NH+]2CC(O)(CC#N)C2)CC1 ZINC000497051045 438760485 /nfs/dbraw/zinc/76/04/85/438760485.db2.gz ASPRIIUQKFVVKA-CQSZACIVSA-N 1 2 339.436 0.955 20 30 ECEDLO C=CCNC(=O)c1cccc(S(=O)(=O)NCCc2c[nH+]cn2C)c1 ZINC000576047401 438767026 /nfs/dbraw/zinc/76/70/26/438767026.db2.gz ATHKVMQJKPMKOB-UHFFFAOYSA-N 1 2 348.428 0.857 20 30 ECEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000595609944 438834006 /nfs/dbraw/zinc/83/40/06/438834006.db2.gz QNMCBGRNKUNZAE-GFCCVEGCSA-N 1 2 336.417 0.898 20 30 ECEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000595609944 438834008 /nfs/dbraw/zinc/83/40/08/438834008.db2.gz QNMCBGRNKUNZAE-GFCCVEGCSA-N 1 2 336.417 0.898 20 30 ECEDLO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000514940570 438841002 /nfs/dbraw/zinc/84/10/02/438841002.db2.gz WVNJVQZLDOADAL-AWEZNQCLSA-N 1 2 327.392 0.837 20 30 ECEDLO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000514940570 438841006 /nfs/dbraw/zinc/84/10/06/438841006.db2.gz WVNJVQZLDOADAL-AWEZNQCLSA-N 1 2 327.392 0.837 20 30 ECEDLO N#Cc1ccc(-c2cc(N3CC[NH+]([C@H]4CCNC4=O)CC3)n[nH]2)cc1 ZINC000595727085 438849968 /nfs/dbraw/zinc/84/99/68/438849968.db2.gz WJFYHWVXPRTOQC-INIZCTEOSA-N 1 2 336.399 0.959 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000601453358 438899617 /nfs/dbraw/zinc/89/96/17/438899617.db2.gz SAFGGTVYRZUPEY-UONOGXRCSA-N 1 2 344.481 0.556 20 30 ECEDLO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)o1 ZINC000601452010 438899983 /nfs/dbraw/zinc/89/99/83/438899983.db2.gz DAKAXXDGZZSTMZ-QWHCGFSZSA-N 1 2 339.417 0.929 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000601453426 438900338 /nfs/dbraw/zinc/90/03/38/438900338.db2.gz SQVXQOYGTXOQLB-MCIONIFRSA-N 1 2 344.481 0.412 20 30 ECEDLO COC[C@]1(C(=O)OC)CCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000595821855 438868406 /nfs/dbraw/zinc/86/84/06/438868406.db2.gz ZIIZGLZIPMTAGR-YJBOKZPZSA-N 1 2 348.399 0.952 20 30 ECEDLO COC[C@]1(C(=O)OC)CCC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000595821855 438868412 /nfs/dbraw/zinc/86/84/12/438868412.db2.gz ZIIZGLZIPMTAGR-YJBOKZPZSA-N 1 2 348.399 0.952 20 30 ECEDLO N#CCC(=O)N1CC[NH+](C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000564097203 438871246 /nfs/dbraw/zinc/87/12/46/438871246.db2.gz WVSBDRYMLMRTAX-ZDUSSCGKSA-N 1 2 347.371 0.213 20 30 ECEDLO CCn1c(=O)[nH]c2cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)ccc2c1=O ZINC000564871158 438880551 /nfs/dbraw/zinc/88/05/51/438880551.db2.gz DZOKWBHMNYOBBB-QGZVFWFLSA-N 1 2 343.387 0.696 20 30 ECEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CCc3c(CC#N)cccc3C2)C1 ZINC000601476131 438910259 /nfs/dbraw/zinc/91/02/59/438910259.db2.gz ZYBODYVFEOTRBT-MRXNPFEDSA-N 1 2 349.456 0.771 20 30 ECEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CCc3c(CC#N)cccc3C2)C1 ZINC000601476131 438910262 /nfs/dbraw/zinc/91/02/62/438910262.db2.gz ZYBODYVFEOTRBT-MRXNPFEDSA-N 1 2 349.456 0.771 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000590362405 438913740 /nfs/dbraw/zinc/91/37/40/438913740.db2.gz FSCATCSPMCYEOX-LBPRGKRZSA-N 1 2 328.376 0.922 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000590362405 438913743 /nfs/dbraw/zinc/91/37/43/438913743.db2.gz FSCATCSPMCYEOX-LBPRGKRZSA-N 1 2 328.376 0.922 20 30 ECEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cc(C#N)cnn2)CC1 ZINC000596107698 438925858 /nfs/dbraw/zinc/92/58/58/438925858.db2.gz MWKAYFWQCCJDIR-CYBMUJFWSA-N 1 2 328.420 0.918 20 30 ECEDLO CC(C)OC[C@H](O)Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000517175711 438954121 /nfs/dbraw/zinc/95/41/21/438954121.db2.gz JCYBMAAVDKHMCC-MRXNPFEDSA-N 1 2 335.404 0.338 20 30 ECEDLO C=CCCCCCNC(=O)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000565666066 438971502 /nfs/dbraw/zinc/97/15/02/438971502.db2.gz JMMLLUBUYAJSSC-UHFFFAOYSA-N 1 2 347.463 0.927 20 30 ECEDLO Cn1ncc(C#N)c1NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000596515644 438972130 /nfs/dbraw/zinc/97/21/30/438972130.db2.gz PSMOLDHJIOBDFU-SFHVURJKSA-N 1 2 341.415 0.967 20 30 ECEDLO Cn1ncc(C#N)c1NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000596515644 438972131 /nfs/dbraw/zinc/97/21/31/438972131.db2.gz PSMOLDHJIOBDFU-SFHVURJKSA-N 1 2 341.415 0.967 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000579377488 439004714 /nfs/dbraw/zinc/00/47/14/439004714.db2.gz QFRACVQEYRPUQS-LBPRGKRZSA-N 1 2 343.453 0.550 20 30 ECEDLO COC(=O)c1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000519701223 439056145 /nfs/dbraw/zinc/05/61/45/439056145.db2.gz ILFLNMAOTXSRQT-OAHLLOKOSA-N 1 2 334.332 0.955 20 30 ECEDLO N#CCC(=O)N1CC[NH+](CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000566688122 439083388 /nfs/dbraw/zinc/08/33/88/439083388.db2.gz WCWHEXLFQBHENN-UHFFFAOYSA-N 1 2 340.383 0.731 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(C(=O)OC)c(C)[nH]2)CC1 ZINC000602430181 439083434 /nfs/dbraw/zinc/08/34/34/439083434.db2.gz LEQDKYYFDNLTDO-UHFFFAOYSA-N 1 2 334.420 0.530 20 30 ECEDLO C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149230 439166864 /nfs/dbraw/zinc/16/68/64/439166864.db2.gz LFMYQWZGRPEVPV-PXAZEXFGSA-N 1 2 328.372 0.711 20 30 ECEDLO C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149230 439166869 /nfs/dbraw/zinc/16/68/69/439166869.db2.gz LFMYQWZGRPEVPV-PXAZEXFGSA-N 1 2 328.372 0.711 20 30 ECEDLO C[C@@H]1C[NH+]([C@H]2CCCN(c3ccn(C)n3)C2=O)C[C@@H](C)N1CC#N ZINC000602854825 439145187 /nfs/dbraw/zinc/14/51/87/439145187.db2.gz DWCJBYFJQLMYIR-KFWWJZLASA-N 1 2 330.436 0.834 20 30 ECEDLO Cc1ccc2nc(C[NH+]3CCN(C(=O)CC#N)CC3)cc(=O)n2c1 ZINC000568175588 439221098 /nfs/dbraw/zinc/22/10/98/439221098.db2.gz BORCCLHCRQHTJJ-UHFFFAOYSA-N 1 2 325.372 0.561 20 30 ECEDLO N#Cc1cnn2cc(C[N@H+]3CC[C@H](NC(=O)NC4CC4)C3)cnc12 ZINC000581251482 439189442 /nfs/dbraw/zinc/18/94/42/439189442.db2.gz SNCMRTIGGCWMBC-AWEZNQCLSA-N 1 2 325.376 0.637 20 30 ECEDLO N#Cc1cnn2cc(C[N@@H+]3CC[C@H](NC(=O)NC4CC4)C3)cnc12 ZINC000581251482 439189448 /nfs/dbraw/zinc/18/94/48/439189448.db2.gz SNCMRTIGGCWMBC-AWEZNQCLSA-N 1 2 325.376 0.637 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)N2CCC[C@@H](C(=O)OCC)C2)nn1 ZINC000603163611 439199813 /nfs/dbraw/zinc/19/98/13/439199813.db2.gz AWIRNLVPDHKGDN-CQSZACIVSA-N 1 2 347.419 0.193 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)Cn1cc(C[NH+]2CCC(OC)CC2)nn1 ZINC000603207882 439208922 /nfs/dbraw/zinc/20/89/22/439208922.db2.gz DHTCHKAGGZYUSY-AWEZNQCLSA-N 1 2 348.451 0.897 20 30 ECEDLO C[C@@H](C#N)N(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000598129026 439231441 /nfs/dbraw/zinc/23/14/41/439231441.db2.gz FCWSTIBGUMBZJQ-UONOGXRCSA-N 1 2 334.420 0.070 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000568275477 439233582 /nfs/dbraw/zinc/23/35/82/439233582.db2.gz XZGDINYVTWEFKT-INIZCTEOSA-N 1 2 348.359 0.869 20 30 ECEDLO C[C@@H](C(=O)N(CC[NH+]1CCOCC1)CC1CC1)n1cnc(C#N)n1 ZINC000598342452 439253317 /nfs/dbraw/zinc/25/33/17/439253317.db2.gz IPRDVVCNHPRPIU-ZDUSSCGKSA-N 1 2 332.408 0.282 20 30 ECEDLO N#Cc1ccc(CNC(=O)Cn2cc[nH+]c2CN2CCOCC2)cc1 ZINC000603421030 439258825 /nfs/dbraw/zinc/25/88/25/439258825.db2.gz ANWDBHKLYQOONI-UHFFFAOYSA-N 1 2 339.399 0.903 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H](C)c2cccnc2)CC1 ZINC000490671928 439284649 /nfs/dbraw/zinc/28/46/49/439284649.db2.gz VPQDGPWXAJTYCS-INIZCTEOSA-N 1 2 342.443 0.859 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](C)c2cccnc2)CC1 ZINC000490671928 439284654 /nfs/dbraw/zinc/28/46/54/439284654.db2.gz VPQDGPWXAJTYCS-INIZCTEOSA-N 1 2 342.443 0.859 20 30 ECEDLO C#CCN1CCN(C(=O)C[NH2+][C@H](C)c2nnc3ccccn32)CC1 ZINC000490949893 439317643 /nfs/dbraw/zinc/31/76/43/439317643.db2.gz MRGDVLWKIHGOAW-CQSZACIVSA-N 1 2 326.404 0.157 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CCCOCC)CC1 ZINC000491068305 439328161 /nfs/dbraw/zinc/32/81/61/439328161.db2.gz NTFULBVFDQWSNN-MRXNPFEDSA-N 1 2 347.463 0.964 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CC(=O)N(C)[C@@H]2c2ccccc2)CC1 ZINC000491103716 439331561 /nfs/dbraw/zinc/33/15/61/439331561.db2.gz PPHOCTFURKNBNR-IBGZPJMESA-N 1 2 340.427 0.237 20 30 ECEDLO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000490669772 439285457 /nfs/dbraw/zinc/28/54/57/439285457.db2.gz IHHFSHOJECQUKR-UHFFFAOYSA-N 1 2 344.396 0.492 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C3CC3)n(C)n2)CC1 ZINC000490698295 439290000 /nfs/dbraw/zinc/29/00/00/439290000.db2.gz NAACUBLLQXOADT-UHFFFAOYSA-N 1 2 343.431 0.195 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C3CC3)n(C)n2)CC1 ZINC000490698295 439290003 /nfs/dbraw/zinc/29/00/03/439290003.db2.gz NAACUBLLQXOADT-UHFFFAOYSA-N 1 2 343.431 0.195 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2cccc(-n3cncn3)c2)CC1 ZINC000490760089 439295282 /nfs/dbraw/zinc/29/52/82/439295282.db2.gz JPYVATSNCOEYQH-UHFFFAOYSA-N 1 2 325.372 0.424 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2c(=O)sc3c2CCCCC3)CC1 ZINC000490759671 439295559 /nfs/dbraw/zinc/29/55/59/439295559.db2.gz DPPKHZYOSWTTSA-UHFFFAOYSA-N 1 2 333.457 0.956 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000490780142 439298829 /nfs/dbraw/zinc/29/88/29/439298829.db2.gz DNHFDAMJSFPYAJ-UHFFFAOYSA-N 1 2 349.456 0.393 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(N2CCC2)nc1 ZINC000598686498 439303876 /nfs/dbraw/zinc/30/38/76/439303876.db2.gz DGQLMSJUWDAPAY-UHFFFAOYSA-N 1 2 343.431 0.980 20 30 ECEDLO CN(C)S(=O)(=O)N1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000604271842 439305262 /nfs/dbraw/zinc/30/52/62/439305262.db2.gz AWDUYKPOAFKLQP-UHFFFAOYSA-N 1 2 338.433 0.361 20 30 ECEDLO C#CCN(C(=O)C[N@@H+](C)[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 ZINC000490891430 439307317 /nfs/dbraw/zinc/30/73/17/439307317.db2.gz FTDBAXFLGIEQPM-STQMWFEESA-N 1 2 330.475 0.073 20 30 ECEDLO C#CCN(C(=O)C[N@H+](C)[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 ZINC000490891430 439307321 /nfs/dbraw/zinc/30/73/21/439307321.db2.gz FTDBAXFLGIEQPM-STQMWFEESA-N 1 2 330.475 0.073 20 30 ECEDLO CCOC[C@@H]1CN(CC#CC[N@@H+]2CCO[C@H](COCC)C2)CCO1 ZINC000528725852 439362411 /nfs/dbraw/zinc/36/24/11/439362411.db2.gz VGLGVXCXBFBAES-ROUUACIJSA-N 1 2 340.464 0.464 20 30 ECEDLO CCOC[C@@H]1CN(CC#CC[N@H+]2CCO[C@H](COCC)C2)CCO1 ZINC000528725852 439362416 /nfs/dbraw/zinc/36/24/16/439362416.db2.gz VGLGVXCXBFBAES-ROUUACIJSA-N 1 2 340.464 0.464 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2c(Br)cccc2=O)CC1 ZINC000491307597 439365510 /nfs/dbraw/zinc/36/55/10/439365510.db2.gz QYNBFUPBBRVNTC-UHFFFAOYSA-N 1 2 338.205 0.388 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000491165308 439341186 /nfs/dbraw/zinc/34/11/86/439341186.db2.gz JTKYUGICTGPOPV-AQFXKWCLSA-N 1 2 348.491 0.437 20 30 ECEDLO COc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1N1CCNC1=O ZINC000582488544 439343877 /nfs/dbraw/zinc/34/38/77/439343877.db2.gz JJCFGLYVKLDKOM-QGZVFWFLSA-N 1 2 345.403 0.798 20 30 ECEDLO CCC(C#N)(CC)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000528506243 439345264 /nfs/dbraw/zinc/34/52/64/439345264.db2.gz GMTMGGHNAVAYCT-UHFFFAOYSA-N 1 2 329.466 0.942 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](Cc2cc(C)c(C(=O)OC)o2)CC1 ZINC000491537201 439402430 /nfs/dbraw/zinc/40/24/30/439402430.db2.gz PAYHELPUIYLONH-UHFFFAOYSA-N 1 2 333.388 0.242 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCSC[C@@H]2c2cnn(C)c2)CC1 ZINC000491554479 439405391 /nfs/dbraw/zinc/40/53/91/439405391.db2.gz JKUFLTZBJOKJHX-MRXNPFEDSA-N 1 2 347.488 0.287 20 30 ECEDLO C#C[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)(C)C ZINC000491630034 439414544 /nfs/dbraw/zinc/41/45/44/439414544.db2.gz WTNUBHALKMMMII-LSDHHAIUSA-N 1 2 335.448 0.331 20 30 ECEDLO C#CCN(C(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCCC1 ZINC000491639738 439417703 /nfs/dbraw/zinc/41/77/03/439417703.db2.gz YPMNIEPTOYISCE-IYBDPMFKSA-N 1 2 349.475 0.958 20 30 ECEDLO C#CCN(C(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCCC1 ZINC000491639738 439417707 /nfs/dbraw/zinc/41/77/07/439417707.db2.gz YPMNIEPTOYISCE-IYBDPMFKSA-N 1 2 349.475 0.958 20 30 ECEDLO COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCCc1cn(C)c[nH+]1 ZINC000593607890 439421927 /nfs/dbraw/zinc/42/19/27/439421927.db2.gz PMKKLCOOAOUHIS-UHFFFAOYSA-N 1 2 348.384 0.599 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cccc(Br)c2=O)CC1 ZINC000491662796 439422479 /nfs/dbraw/zinc/42/24/79/439422479.db2.gz HMRVLILCOSKJBT-UHFFFAOYSA-N 1 2 338.205 0.388 20 30 ECEDLO Cn1cc(CC[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)nn1 ZINC000599314160 439428710 /nfs/dbraw/zinc/42/87/10/439428710.db2.gz XEYWIJCQSMPFSK-UHFFFAOYSA-N 1 2 327.392 0.917 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(O)c(F)c2)CC1 ZINC000491744343 439438722 /nfs/dbraw/zinc/43/87/22/439438722.db2.gz WCTPRSYDIQIPNZ-UHFFFAOYSA-N 1 2 347.390 0.358 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(O)c(F)c2)CC1 ZINC000491744343 439438726 /nfs/dbraw/zinc/43/87/26/439438726.db2.gz WCTPRSYDIQIPNZ-UHFFFAOYSA-N 1 2 347.390 0.358 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2CC(=O)OCC)CC1 ZINC000491738823 439440428 /nfs/dbraw/zinc/44/04/28/439440428.db2.gz GRCUHLOHEUNMQW-UHFFFAOYSA-N 1 2 343.427 0.982 20 30 ECEDLO CCOC(=O)C[C@H](O)C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000599386556 439450635 /nfs/dbraw/zinc/45/06/35/439450635.db2.gz OJFWLQSYFVUOMG-ZDUSSCGKSA-N 1 2 335.408 0.036 20 30 ECEDLO C#C[C@H](C)N(C)S(=O)(=O)CCCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000491811820 439455088 /nfs/dbraw/zinc/45/50/88/439455088.db2.gz MPCOMGOWECYICD-NSHDSACASA-N 1 2 348.450 0.215 20 30 ECEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000599531599 439500308 /nfs/dbraw/zinc/50/03/08/439500308.db2.gz FRIJQVQSFRWDMZ-UBHSHLNASA-N 1 2 335.429 0.914 20 30 ECEDLO Cc1csc(=O)n1CC[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000530519463 439500309 /nfs/dbraw/zinc/50/03/09/439500309.db2.gz AWRILFGMTCDMAQ-UHFFFAOYSA-N 1 2 346.460 0.954 20 30 ECEDLO C=CC[N@@H+](C[C@H](O)COC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000533388265 439524932 /nfs/dbraw/zinc/52/49/32/439524932.db2.gz PSYKEPPOPDFEFE-KKUMJFAQSA-N 1 2 333.450 0.218 20 30 ECEDLO C=CC[N@H+](C[C@H](O)COC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000533388265 439524938 /nfs/dbraw/zinc/52/49/38/439524938.db2.gz PSYKEPPOPDFEFE-KKUMJFAQSA-N 1 2 333.450 0.218 20 30 ECEDLO CN(C)C[C@@](C)(C#N)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000571734512 439525423 /nfs/dbraw/zinc/52/54/23/439525423.db2.gz MUOVUORPBPGMLL-SJLPKXTDSA-N 1 2 330.432 0.847 20 30 ECEDLO CN(C)C[C@@](C)(C#N)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000571734512 439525425 /nfs/dbraw/zinc/52/54/25/439525425.db2.gz MUOVUORPBPGMLL-SJLPKXTDSA-N 1 2 330.432 0.847 20 30 ECEDLO C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCC(CC#N)CC1 ZINC000543806345 439565149 /nfs/dbraw/zinc/56/51/49/439565149.db2.gz CWNUIBVBHZCNHT-GXTWGEPZSA-N 1 2 327.450 0.646 20 30 ECEDLO N#CCC(=O)N1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000572012693 439550027 /nfs/dbraw/zinc/55/00/27/439550027.db2.gz SUXIOFIAWOKOCF-UHFFFAOYSA-N 1 2 345.359 0.981 20 30 ECEDLO Cn1cc[nH+]c1CN1CCN(C(=O)NC2CCN(CC#N)CC2)CC1 ZINC000609341015 439567066 /nfs/dbraw/zinc/56/70/66/439567066.db2.gz JJTWPEKWZZULBM-UHFFFAOYSA-N 1 2 345.451 0.235 20 30 ECEDLO CC(C)NC(=O)C[NH+]1CCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000572314163 439572750 /nfs/dbraw/zinc/57/27/50/439572750.db2.gz YOBLZYJBWLULHC-UHFFFAOYSA-N 1 2 341.419 0.243 20 30 ECEDLO COc1nccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000573794949 439665875 /nfs/dbraw/zinc/66/58/75/439665875.db2.gz HTMOOMSUYDTSNG-UHFFFAOYSA-N 1 2 332.385 0.920 20 30 ECEDLO C[C@H](O)CNC(=O)c1ccc(OC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000573808180 439668153 /nfs/dbraw/zinc/66/81/53/439668153.db2.gz MGVNMXSQDMGEJJ-DZGCQCFKSA-N 1 2 335.404 0.382 20 30 ECEDLO C[C@H](O)CNC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000573808180 439668155 /nfs/dbraw/zinc/66/81/55/439668155.db2.gz MGVNMXSQDMGEJJ-DZGCQCFKSA-N 1 2 335.404 0.382 20 30 ECEDLO COC(=O)c1cccc(OCC[NH+]2CCN(C(=O)CC#N)CC2)c1 ZINC000572971605 439620269 /nfs/dbraw/zinc/62/02/69/439620269.db2.gz GUVMSHDAVJXUMH-UHFFFAOYSA-N 1 2 331.372 0.910 20 30 ECEDLO CCOC(=O)c1c(C)n[nH]c1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000595331606 439704743 /nfs/dbraw/zinc/70/47/43/439704743.db2.gz BEIGZQCOCZAQTJ-UHFFFAOYSA-N 1 2 349.435 0.943 20 30 ECEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1C(=O)NC[C@@H](C)C#N ZINC000611624197 439711301 /nfs/dbraw/zinc/71/13/01/439711301.db2.gz RWDVGBIHKDRAPK-NHYWBVRUSA-N 1 2 340.387 0.985 20 30 ECEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N2CCOC[C@@H]2C2CC2)CC1 ZINC000611431820 439696989 /nfs/dbraw/zinc/69/69/89/439696989.db2.gz CDEKHTOUUZRYGC-IAGOWNOFSA-N 1 2 334.464 0.790 20 30 ECEDLO N#C[C@]1(F)CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000615538442 439801885 /nfs/dbraw/zinc/80/18/85/439801885.db2.gz IDXIENCNAJHPQQ-OAHLLOKOSA-N 1 2 336.371 0.685 20 30 ECEDLO C[C@@]1(C#N)CCC[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000618753973 440156739 /nfs/dbraw/zinc/15/67/39/440156739.db2.gz LVADHFPCGNFURL-KRWDZBQOSA-N 1 2 328.420 0.751 20 30 ECEDLO C[C@@]1(C#N)CCC[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000618753973 440156743 /nfs/dbraw/zinc/15/67/43/440156743.db2.gz LVADHFPCGNFURL-KRWDZBQOSA-N 1 2 328.420 0.751 20 30 ECEDLO Cc1c(C[N@@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cnn1C ZINC000619184329 440219328 /nfs/dbraw/zinc/21/93/28/440219328.db2.gz MWKWLZONOWDJTL-QGZVFWFLSA-N 1 2 346.479 0.853 20 30 ECEDLO Cc1c(C[N@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cnn1C ZINC000619184329 440219332 /nfs/dbraw/zinc/21/93/32/440219332.db2.gz MWKWLZONOWDJTL-QGZVFWFLSA-N 1 2 346.479 0.853 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)nn1 ZINC000648824859 440336938 /nfs/dbraw/zinc/33/69/38/440336938.db2.gz JVCDYQBSWYAYNF-AWEZNQCLSA-N 1 2 335.408 0.027 20 30 ECEDLO C=CC[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000628486698 440469746 /nfs/dbraw/zinc/46/97/46/440469746.db2.gz NZYLQIQEAQWJSW-JKSUJKDBSA-N 1 2 335.448 0.592 20 30 ECEDLO C=CCCOCCNC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633140095 440459412 /nfs/dbraw/zinc/45/94/12/440459412.db2.gz QIXJLTZZBDYONZ-UHFFFAOYSA-N 1 2 333.436 0.939 20 30 ECEDLO C=CCN(C(=O)Cc1cn2c([nH+]1)CCCC2)[C@H]1CCS(=O)(=O)C1 ZINC000651159012 440759627 /nfs/dbraw/zinc/75/96/27/440759627.db2.gz MEVSFIYERCDWKR-AWEZNQCLSA-N 1 2 337.445 0.964 20 30 ECEDLO CC#CC[C@@H](CO)NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000646293487 441043838 /nfs/dbraw/zinc/04/38/38/441043838.db2.gz YWUWLUVABMRMAW-AWEZNQCLSA-N 1 2 335.408 0.111 20 30 ECEDLO C=CCOCCn1cc(Cn2cc[nH+]c2CN2CCOCC2)nn1 ZINC000641029196 441045859 /nfs/dbraw/zinc/04/58/59/441045859.db2.gz BFMFVBCYRNLKEB-UHFFFAOYSA-N 1 2 332.408 0.558 20 30 ECEDLO C#CC[N@H+]1CC[C@@]2(CCN(C(=O)C3(S(C)(=O)=O)CCCC3)C2)C1 ZINC001041736897 782088195 /nfs/dbraw/zinc/08/81/95/782088195.db2.gz AUTLYJRMQFQQDR-MRXNPFEDSA-N 1 2 338.473 0.901 20 30 ECEDLO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C3(S(C)(=O)=O)CCCC3)C2)C1 ZINC001041736897 782088203 /nfs/dbraw/zinc/08/82/03/782088203.db2.gz AUTLYJRMQFQQDR-MRXNPFEDSA-N 1 2 338.473 0.901 20 30 ECEDLO COc1cc(C#N)ccc1NC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000546710229 322120460 /nfs/dbraw/zinc/12/04/60/322120460.db2.gz YTUHCXWDZNUHSK-GFCCVEGCSA-N 1 2 346.387 0.342 20 30 ECEDLO COc1cc(C#N)ccc1NC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000546710229 322120463 /nfs/dbraw/zinc/12/04/63/322120463.db2.gz YTUHCXWDZNUHSK-GFCCVEGCSA-N 1 2 346.387 0.342 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2F)CC[N@@H+]1CCO ZINC000548294855 322153423 /nfs/dbraw/zinc/15/34/23/322153423.db2.gz MJGYZCBHWSQFIK-NSHDSACASA-N 1 2 327.381 0.384 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2F)CC[N@H+]1CCO ZINC000548294855 322153426 /nfs/dbraw/zinc/15/34/26/322153426.db2.gz MJGYZCBHWSQFIK-NSHDSACASA-N 1 2 327.381 0.384 20 30 ECEDLO C[C@H](C(=O)N1CCN(c2cnccc2C#N)CC1)[NH+]1CCN(C)CC1 ZINC000557746041 322209703 /nfs/dbraw/zinc/20/97/03/322209703.db2.gz ONYVRNCVIUMXJI-OAHLLOKOSA-N 1 2 342.447 0.238 20 30 ECEDLO C[C@H](CNC(=O)N1CCC(N2CCNC2=O)CC1)[NH+]1CCOCC1 ZINC000328877526 546009036 /nfs/dbraw/zinc/00/90/36/546009036.db2.gz UEMCHXHQXIHJTB-CYBMUJFWSA-N 1 2 339.440 0.315 20 30 ECEDLO CC(C)N1CC[C@H](NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)C1=O ZINC000329293003 546019445 /nfs/dbraw/zinc/01/94/45/546019445.db2.gz JDZZNWQBYBUKTO-HNNXBMFYSA-N 1 2 348.451 0.461 20 30 ECEDLO O=C(NCC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)NC1CCCCC1 ZINC000329576952 546027365 /nfs/dbraw/zinc/02/73/65/546027365.db2.gz VWVXEZSTHADNQL-UHFFFAOYSA-N 1 2 348.451 0.890 20 30 ECEDLO CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@@H](O)C1CCOCC1 ZINC000329553819 546027543 /nfs/dbraw/zinc/02/75/43/546027543.db2.gz DITZTOYIXXGPDY-CQSZACIVSA-N 1 2 329.441 0.388 20 30 ECEDLO CC1(C)COCC[N@H+]1CCNC(=O)NC[C@@H](O)C1CCOCC1 ZINC000329553819 546027548 /nfs/dbraw/zinc/02/75/48/546027548.db2.gz DITZTOYIXXGPDY-CQSZACIVSA-N 1 2 329.441 0.388 20 30 ECEDLO COCC[N@@H+]1CC[C@H](NC(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)C1 ZINC000329594293 546027949 /nfs/dbraw/zinc/02/79/49/546027949.db2.gz OPZBRRFOZPWTBZ-UPJWGTAASA-N 1 2 333.454 0.129 20 30 ECEDLO COCC[N@H+]1CC[C@H](NC(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)C1 ZINC000329594293 546027955 /nfs/dbraw/zinc/02/79/55/546027955.db2.gz OPZBRRFOZPWTBZ-UPJWGTAASA-N 1 2 333.454 0.129 20 30 ECEDLO C=C[C@@H](C(=O)OC)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000619718682 546363279 /nfs/dbraw/zinc/36/32/79/546363279.db2.gz UYNDWPLRDSKNPJ-INIZCTEOSA-N 1 2 349.406 0.901 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000668187650 547601412 /nfs/dbraw/zinc/60/14/12/547601412.db2.gz MVCDGMNVANXSRC-INIZCTEOSA-N 1 2 349.435 0.625 20 30 ECEDLO C=CCn1c([C@@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N1CCn2nncc2C1 ZINC000669011055 547808356 /nfs/dbraw/zinc/80/83/56/547808356.db2.gz IOPGFVGCODHODD-JSGCOSHPSA-N 1 2 344.423 0.467 20 30 ECEDLO C=CCn1c([C@@H]2C[N@H+](C)C[C@H](C)O2)nnc1N1CCn2nncc2C1 ZINC000669011055 547808360 /nfs/dbraw/zinc/80/83/60/547808360.db2.gz IOPGFVGCODHODD-JSGCOSHPSA-N 1 2 344.423 0.467 20 30 ECEDLO C=C(C)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000681727314 549292992 /nfs/dbraw/zinc/29/29/92/549292992.db2.gz KHHLNDCBFSNVEA-UHFFFAOYSA-N 1 2 344.415 0.705 20 30 ECEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000748454524 579324773 /nfs/dbraw/zinc/32/47/73/579324773.db2.gz CVIRLRGEOBSPRD-CQSZACIVSA-N 1 2 337.420 0.935 20 30 ECEDLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000748454524 579324774 /nfs/dbraw/zinc/32/47/74/579324774.db2.gz CVIRLRGEOBSPRD-CQSZACIVSA-N 1 2 337.420 0.935 20 30 ECEDLO Cc1ccc2ncc(C=NNC(=S)NCC[NH+]3CCOCC3)n2c1 ZINC000755500595 579434245 /nfs/dbraw/zinc/43/42/45/579434245.db2.gz YMKCOMXCQQJSRK-UHFFFAOYSA-N 1 2 346.460 0.773 20 30 ECEDLO C#CCNC(=S)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000758211099 579468749 /nfs/dbraw/zinc/46/87/49/579468749.db2.gz XCWHRDRQJYCICM-UHFFFAOYSA-N 1 2 326.466 0.636 20 30 ECEDLO CCOCCCNC(=O)C1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758192292 579468439 /nfs/dbraw/zinc/46/84/39/579468439.db2.gz PVBWCLOEPUBXLS-UHFFFAOYSA-N 1 2 346.431 0.932 20 30 ECEDLO COc1ccc(C=NNC(=S)NCC[NH+]2CCOCC2)cc1F ZINC000725737080 578133258 /nfs/dbraw/zinc/13/32/58/578133258.db2.gz KTQVLIYWTBCFNJ-UHFFFAOYSA-N 1 2 340.424 0.965 20 30 ECEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1C#N ZINC000725895431 578134870 /nfs/dbraw/zinc/13/48/70/578134870.db2.gz HQTATEPZCWYLNT-VXGBXAGGSA-N 1 2 348.428 0.974 20 30 ECEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1C#N ZINC000725895431 578134871 /nfs/dbraw/zinc/13/48/71/578134871.db2.gz HQTATEPZCWYLNT-VXGBXAGGSA-N 1 2 348.428 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)nc1 ZINC000728860098 578291472 /nfs/dbraw/zinc/29/14/72/578291472.db2.gz LXLBTUPQZAHIFI-UHFFFAOYSA-N 1 2 336.399 0.405 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2csc(C)n2)CC1 ZINC000733150489 578332884 /nfs/dbraw/zinc/33/28/84/578332884.db2.gz KZQJCOJZSLSISJ-UHFFFAOYSA-N 1 2 348.472 0.668 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2csc(C)n2)CC1 ZINC000733150489 578332885 /nfs/dbraw/zinc/33/28/85/578332885.db2.gz KZQJCOJZSLSISJ-UHFFFAOYSA-N 1 2 348.472 0.668 20 30 ECEDLO C#CCC[C@H](O)CNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000798358950 578644745 /nfs/dbraw/zinc/64/47/45/578644745.db2.gz GYNFANKQASUNMU-HNNXBMFYSA-N 1 2 332.404 0.492 20 30 ECEDLO C#CCC[C@@H](O)CNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000798359878 578644748 /nfs/dbraw/zinc/64/47/48/578644748.db2.gz PJZXWLIGVBVRRV-GOEBONIOSA-N 1 2 346.431 0.880 20 30 ECEDLO O=C1C=C(NNc2ccc(S(=O)(=O)NC3CC3)c[nH+]2)[C@@H]2CCCN12 ZINC000799475939 578665602 /nfs/dbraw/zinc/66/56/02/578665602.db2.gz OOTFJLDOGXRDTA-ZDUSSCGKSA-N 1 2 349.416 0.685 20 30 ECEDLO N#Cc1ccc([C@@H](O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000780953212 578703587 /nfs/dbraw/zinc/70/35/87/578703587.db2.gz FNLMDNRPQNOSHW-IAGOWNOFSA-N 1 2 329.400 0.915 20 30 ECEDLO Cn1cc(CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])nn1 ZINC000782886235 578735284 /nfs/dbraw/zinc/73/52/84/578735284.db2.gz BUIGVQULNKKJBJ-UHFFFAOYSA-N 1 2 337.387 0.975 20 30 ECEDLO C#CCCCNC(=O)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000787189318 578801694 /nfs/dbraw/zinc/80/16/94/578801694.db2.gz CRWQEHBHTWHLJG-UHFFFAOYSA-N 1 2 330.388 0.064 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cnc(N2CCOCC2)s1 ZINC000787750540 578815265 /nfs/dbraw/zinc/81/52/65/578815265.db2.gz DXACBONZHIOKKE-AWEZNQCLSA-N 1 2 334.445 0.694 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cnc(N2CCOCC2)s1 ZINC000787750540 578815267 /nfs/dbraw/zinc/81/52/67/578815267.db2.gz DXACBONZHIOKKE-AWEZNQCLSA-N 1 2 334.445 0.694 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1)[C@@H]1CCCO1 ZINC000793744162 578938410 /nfs/dbraw/zinc/93/84/10/578938410.db2.gz OKDAQHZFQHZSAH-GJZGRUSLSA-N 1 2 340.383 0.556 20 30 ECEDLO C#C[C@H]([NH2+]Cc1nnc2n1c1ccccc1c(=O)n2C)[C@H]1CCCO1 ZINC000775795589 579271604 /nfs/dbraw/zinc/27/16/04/579271604.db2.gz XWGPPFHWDFKWDR-DZGCQCFKSA-N 1 2 337.383 0.852 20 30 ECEDLO C[S@@](=O)CC[NH+]1CCN(C(=O)Cc2ccccc2CC#N)CC1 ZINC000777405064 579297881 /nfs/dbraw/zinc/29/78/81/579297881.db2.gz OFIRPUACDNQNJN-HSZRJFAPSA-N 1 2 333.457 0.818 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000761023637 579519562 /nfs/dbraw/zinc/51/95/62/579519562.db2.gz JLZQMZMNIDOXLF-AWEZNQCLSA-N 1 2 337.445 0.841 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)c2ccc(C)o2)CC1 ZINC000742642593 579790049 /nfs/dbraw/zinc/79/00/49/579790049.db2.gz SQBGBGOSGHSENK-HNNXBMFYSA-N 1 2 331.416 0.975 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)c2ccc(C)o2)CC1 ZINC000742642593 579790050 /nfs/dbraw/zinc/79/00/50/579790050.db2.gz SQBGBGOSGHSENK-HNNXBMFYSA-N 1 2 331.416 0.975 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)OC3)CC1 ZINC000744244836 579808030 /nfs/dbraw/zinc/80/80/30/579808030.db2.gz INVVREWVYBVQJJ-UHFFFAOYSA-N 1 2 334.397 0.687 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2ccc(CCNS(C)(=O)=O)cc2)CC1 ZINC000744422451 579809284 /nfs/dbraw/zinc/80/92/84/579809284.db2.gz RQFZIVVQEJFSOZ-UHFFFAOYSA-N 1 2 349.456 0.169 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2c3ccccc3OCCC2=O)CC1 ZINC000744425447 579809311 /nfs/dbraw/zinc/80/93/11/579809311.db2.gz MTSOVKRFOCMAJE-UHFFFAOYSA-N 1 2 327.384 0.580 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)CC1 ZINC000744422499 579809383 /nfs/dbraw/zinc/80/93/83/579809383.db2.gz YYFFKPLSGZPMMD-RDTXWAMCSA-N 1 2 346.431 0.265 20 30 ECEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)c1cnn(C(C)C)c1 ZINC000746679161 579843183 /nfs/dbraw/zinc/84/31/83/579843183.db2.gz MQCITYDLYQVXKU-UHFFFAOYSA-N 1 2 338.481 0.984 20 30 ECEDLO C[C@H](CC(=O)NCc1c[nH+]c[nH]1)N=C1NS(=O)(=O)c2ccccc21 ZINC000748322263 579857639 /nfs/dbraw/zinc/85/76/39/579857639.db2.gz WZJXKFMKXRHIQR-SNVBAGLBSA-N 1 2 347.400 0.543 20 30 ECEDLO C[C@H](CC(=O)NCc1c[nH]c[nH+]1)N=C1NS(=O)(=O)c2ccccc21 ZINC000748322263 579857640 /nfs/dbraw/zinc/85/76/40/579857640.db2.gz WZJXKFMKXRHIQR-SNVBAGLBSA-N 1 2 347.400 0.543 20 30 ECEDLO COc1cc(C#N)cc(OS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)c1 ZINC000867184814 588933372 /nfs/dbraw/zinc/93/33/72/588933372.db2.gz BDZCMTCUEPFORZ-AWEZNQCLSA-N 1 2 326.374 0.606 20 30 ECEDLO COc1cc(C#N)cc(OS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000867184814 588933373 /nfs/dbraw/zinc/93/33/73/588933373.db2.gz BDZCMTCUEPFORZ-AWEZNQCLSA-N 1 2 326.374 0.606 20 30 ECEDLO C#C[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000890647291 586056892 /nfs/dbraw/zinc/05/68/92/586056892.db2.gz CXIGTDOWOYKCPP-JKSUJKDBSA-N 1 2 333.432 0.181 20 30 ECEDLO Cn1nc2c(c1CN(CCC#N)CC[NH+]1CCOCC1)COCC2 ZINC000891394245 586167155 /nfs/dbraw/zinc/16/71/55/586167155.db2.gz BNANQNVSGZKYKK-UHFFFAOYSA-N 1 2 333.436 0.541 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2sccc2C(=O)OC)C1 ZINC000891605555 586181730 /nfs/dbraw/zinc/18/17/30/586181730.db2.gz FZPNCZJPLXPFOV-LLVKDONJSA-N 1 2 349.412 0.687 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2sccc2C(=O)OC)C1 ZINC000891605555 586181733 /nfs/dbraw/zinc/18/17/33/586181733.db2.gz FZPNCZJPLXPFOV-LLVKDONJSA-N 1 2 349.412 0.687 20 30 ECEDLO C#CCSCC(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000895630525 586194220 /nfs/dbraw/zinc/19/42/20/586194220.db2.gz LNQARTYNZLBAQE-UHFFFAOYSA-N 1 2 325.478 0.756 20 30 ECEDLO C#CCSCC(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000895630525 586194223 /nfs/dbraw/zinc/19/42/23/586194223.db2.gz LNQARTYNZLBAQE-UHFFFAOYSA-N 1 2 325.478 0.756 20 30 ECEDLO C#CC1(O)CN(C(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)C1 ZINC000891834167 586200064 /nfs/dbraw/zinc/20/00/64/586200064.db2.gz OMRJZZWLCQMLRL-CYBMUJFWSA-N 1 2 330.388 0.196 20 30 ECEDLO C#CCNS(=O)(=O)N1CCN(Cc2c[nH+]cn2C(C)C)CC1 ZINC000895919018 586212929 /nfs/dbraw/zinc/21/29/29/586212929.db2.gz QXYFHPMYHQRNDU-UHFFFAOYSA-N 1 2 325.438 0.049 20 30 ECEDLO C=C1CCC(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000896416821 586239867 /nfs/dbraw/zinc/23/98/67/586239867.db2.gz MOTLXHRCFLWSLS-INIZCTEOSA-N 1 2 335.448 0.782 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(c2ncnc3[nH]cc(CC)c32)CC1 ZINC000892322834 586248991 /nfs/dbraw/zinc/24/89/91/586248991.db2.gz SEQGWPIHWNFYQR-UHFFFAOYSA-N 1 2 326.404 0.392 20 30 ECEDLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC1 ZINC000866890115 586328780 /nfs/dbraw/zinc/32/87/80/586328780.db2.gz VVRFXISGGFVMHA-AWEZNQCLSA-N 1 2 341.408 0.775 20 30 ECEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCOCC)CC2)C1 ZINC000843243868 589054988 /nfs/dbraw/zinc/05/49/88/589054988.db2.gz IHYCWFXOHOXMLE-MRXNPFEDSA-N 1 2 335.448 0.429 20 30 ECEDLO C#CC[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCOCC)CC2)C1 ZINC000843243866 589055063 /nfs/dbraw/zinc/05/50/63/589055063.db2.gz IHYCWFXOHOXMLE-INIZCTEOSA-N 1 2 335.448 0.429 20 30 ECEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(C[C@H]2C[C@@]23CCOC3)c1=O ZINC000902417200 586736810 /nfs/dbraw/zinc/73/68/10/586736810.db2.gz BILMNAUEOXCZCV-SJLPKXTDSA-N 1 2 329.400 0.979 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000907584585 586740557 /nfs/dbraw/zinc/74/05/57/586740557.db2.gz WXUANJGZVLNIJM-CZUORRHYSA-N 1 2 340.383 0.681 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2cccc3c2OC(=O)NC3)CC1 ZINC000902803653 586758639 /nfs/dbraw/zinc/75/86/39/586758639.db2.gz OYQBDASIUZSSJP-UHFFFAOYSA-N 1 2 329.356 0.445 20 30 ECEDLO C=CCONC(=O)N1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000838708261 586820718 /nfs/dbraw/zinc/82/07/18/586820718.db2.gz PXXQOPCYVGSVMA-AWEZNQCLSA-N 1 2 329.360 0.943 20 30 ECEDLO C[N@@H+]1CCO[C@@H](C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000904184602 586832161 /nfs/dbraw/zinc/83/21/61/586832161.db2.gz UVHNMYIPOFPEPK-CQSZACIVSA-N 1 2 347.371 0.221 20 30 ECEDLO C[N@H+]1CCO[C@@H](C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000904184602 586832164 /nfs/dbraw/zinc/83/21/64/586832164.db2.gz UVHNMYIPOFPEPK-CQSZACIVSA-N 1 2 347.371 0.221 20 30 ECEDLO Cn1c(=O)c2ccc(C(=O)N[C@@H]3C[NH2+]C[C@@H]3C#N)cc2[nH]c1=S ZINC000843459641 589068317 /nfs/dbraw/zinc/06/83/17/589068317.db2.gz FVHGCFLEDVTJII-JOYOIKCWSA-N 1 2 329.385 0.064 20 30 ECEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)c1cc(C#N)ccn1 ZINC000905421549 586891758 /nfs/dbraw/zinc/89/17/58/586891758.db2.gz DUBSDOVGXSVMRU-UHFFFAOYSA-N 1 2 332.433 0.474 20 30 ECEDLO COCCOc1ccccc1N1CC[NH+](CC(=O)NCCC#N)CC1 ZINC000768551174 586905990 /nfs/dbraw/zinc/90/59/90/586905990.db2.gz IHSIOKVRBQDDRJ-UHFFFAOYSA-N 1 2 346.431 0.864 20 30 ECEDLO N#Cc1sccc1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000906277763 586938366 /nfs/dbraw/zinc/93/83/66/586938366.db2.gz MNTLFFGBESFDSY-UHFFFAOYSA-N 1 2 342.428 0.962 20 30 ECEDLO N#C[C@@]1(C(=O)NCC(=O)NCC[NH+]2CCOCC2)CC2CCC1CC2 ZINC000906651735 586961503 /nfs/dbraw/zinc/96/15/03/586961503.db2.gz WIWCRNXJSFHNJS-JMLCCBQJSA-N 1 2 348.447 0.271 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000800918146 586976759 /nfs/dbraw/zinc/97/67/59/586976759.db2.gz AUOBROKFSXSBRH-VXGBXAGGSA-N 1 2 345.494 0.574 20 30 ECEDLO C[C@@H]1CN(C(=O)C[NH+]2CCN(c3ccc(C#N)nc3)CC2)CCO1 ZINC000801550608 586999063 /nfs/dbraw/zinc/99/90/63/586999063.db2.gz CXIMAWBPLBHVSU-CQSZACIVSA-N 1 2 329.404 0.323 20 30 ECEDLO N#C[C@@]1(C(=O)N(CCO)CC[NH+]2CCOCC2)CC2CCC1CC2 ZINC000907071749 587012473 /nfs/dbraw/zinc/01/24/73/587012473.db2.gz ZGFWCYSZARLRTM-HTWSVDAQSA-N 1 2 335.448 0.860 20 30 ECEDLO C=CCN1CCN(CN2CC[NH+](CC(=O)N[C@H](C)CC)CC2)C1=O ZINC000839960583 587015608 /nfs/dbraw/zinc/01/56/08/587015608.db2.gz TXQNTJCRHYKJRS-OAHLLOKOSA-N 1 2 337.468 0.400 20 30 ECEDLO C=CCOC[C@@H]1NC(=O)N(Cc2ccc(-n3cc[nH+]c3)nc2)C1=O ZINC000804144130 587080092 /nfs/dbraw/zinc/08/00/92/587080092.db2.gz IXUOPBYODSEKMA-ZDUSSCGKSA-N 1 2 327.344 0.890 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)[C@@H]1CCCO1 ZINC000809313050 587175300 /nfs/dbraw/zinc/17/53/00/587175300.db2.gz QHFXXZGDWIFKMI-IHRRRGAJSA-N 1 2 330.388 0.413 20 30 ECEDLO COC(=O)C(C)(C)CC=NNC(=S)NCC[NH+]1CCOCC1 ZINC000814716931 587278876 /nfs/dbraw/zinc/27/88/76/587278876.db2.gz LSBOZTVHHOCGES-UHFFFAOYSA-N 1 2 330.454 0.358 20 30 ECEDLO O=c1nc(C=NO)ccn1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000817378846 587340434 /nfs/dbraw/zinc/34/04/34/587340434.db2.gz OQCZSEUWJIBNML-UHFFFAOYSA-N 1 2 328.372 0.932 20 30 ECEDLO C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000820073604 587507419 /nfs/dbraw/zinc/50/74/19/587507419.db2.gz BOZDCXYXDRBAGY-AWEZNQCLSA-N 1 2 345.447 0.269 20 30 ECEDLO C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000820073604 587507420 /nfs/dbraw/zinc/50/74/20/587507420.db2.gz BOZDCXYXDRBAGY-AWEZNQCLSA-N 1 2 345.447 0.269 20 30 ECEDLO C#C[C@@H](CCC)NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000820630929 587546123 /nfs/dbraw/zinc/54/61/23/587546123.db2.gz SDDTURGOGAWDLG-ZDUSSCGKSA-N 1 2 341.419 0.997 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(-c2nn[nH]n2)s1 ZINC000822811361 587681570 /nfs/dbraw/zinc/68/15/70/587681570.db2.gz XTYBZBGOXFJYLH-UHFFFAOYSA-N 1 2 347.448 0.976 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@H+](C2CC2)C2CCN(C(=O)[O-])CC2)CC1 ZINC000823456698 587721449 /nfs/dbraw/zinc/72/14/49/587721449.db2.gz PJDCIBOVLNULNV-UHFFFAOYSA-N 1 2 348.447 0.371 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@@H+](C2CC2)C2CCN(C(=O)[O-])CC2)CC1 ZINC000823456698 587721450 /nfs/dbraw/zinc/72/14/50/587721450.db2.gz PJDCIBOVLNULNV-UHFFFAOYSA-N 1 2 348.447 0.371 20 30 ECEDLO Cn1c(CCn2c(N)nc(-c3nn[nH]n3)c2C#N)[nH+]c2ccccc21 ZINC000826354930 588032175 /nfs/dbraw/zinc/03/21/75/588032175.db2.gz BZFYLCMPFKHMSX-UHFFFAOYSA-N 1 2 334.347 0.646 20 30 ECEDLO CC[C@@H](C)[C@H](NC(=O)C#CC(C)C)C(=O)NCC[NH+]1CCOCC1 ZINC000827259991 588108865 /nfs/dbraw/zinc/10/88/65/588108865.db2.gz INPRWIFAXSUJPH-WBVHZDCISA-N 1 2 337.464 0.625 20 30 ECEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)Nc2ccccc2C(=O)NC2CC2)C1 ZINC000829982531 588351897 /nfs/dbraw/zinc/35/18/97/588351897.db2.gz BSQIITSNDWTDEP-GOSISDBHSA-N 1 2 342.399 0.868 20 30 ECEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccccc2C(=O)NC2CC2)C1 ZINC000829982531 588351899 /nfs/dbraw/zinc/35/18/99/588351899.db2.gz BSQIITSNDWTDEP-GOSISDBHSA-N 1 2 342.399 0.868 20 30 ECEDLO C[C@](O)(C[N@@H+]1CC[C@@](O)(CC#N)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000829991629 588352465 /nfs/dbraw/zinc/35/24/65/588352465.db2.gz LATISEDSPSGCGD-HOTGVXAUSA-N 1 2 338.429 0.648 20 30 ECEDLO C[C@](O)(C[N@H+]1CC[C@@](O)(CC#N)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000829991629 588352467 /nfs/dbraw/zinc/35/24/67/588352467.db2.gz LATISEDSPSGCGD-HOTGVXAUSA-N 1 2 338.429 0.648 20 30 ECEDLO C#C[C@@H]1CCC[N@@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)C1 ZINC000847027522 589233105 /nfs/dbraw/zinc/23/31/05/589233105.db2.gz BUJFVXZHQNDUSI-GFCCVEGCSA-N 1 2 332.404 0.715 20 30 ECEDLO C#C[C@@H]1CCC[N@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)C1 ZINC000847027522 589233107 /nfs/dbraw/zinc/23/31/07/589233107.db2.gz BUJFVXZHQNDUSI-GFCCVEGCSA-N 1 2 332.404 0.715 20 30 ECEDLO C#C[C@H]1CCC[N@@H+](CN2C(=O)N[C@@](CC)(c3cnn(C)c3)C2=O)C1 ZINC000848494108 589298197 /nfs/dbraw/zinc/29/81/97/589298197.db2.gz UWXNBLKRDYCSBM-GUYCJALGSA-N 1 2 329.404 0.880 20 30 ECEDLO C#C[C@H]1CCC[N@H+](CN2C(=O)N[C@@](CC)(c3cnn(C)c3)C2=O)C1 ZINC000848494108 589298198 /nfs/dbraw/zinc/29/81/98/589298198.db2.gz UWXNBLKRDYCSBM-GUYCJALGSA-N 1 2 329.404 0.880 20 30 ECEDLO CC1(C)OC[C@@H](Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)O1 ZINC000849899798 589353185 /nfs/dbraw/zinc/35/31/85/589353185.db2.gz MBIBCZSXDSLBCJ-OAHLLOKOSA-N 1 2 333.388 0.704 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1)[C@H]1CCCO1 ZINC000850415456 589366329 /nfs/dbraw/zinc/36/63/29/589366329.db2.gz ISPHAUDJEYAOGH-UONOGXRCSA-N 1 2 326.356 0.878 20 30 ECEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000850681569 589378805 /nfs/dbraw/zinc/37/88/05/589378805.db2.gz AHAJHXQWKTWHBD-HZPDHXFCSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)CC1 ZINC000852741975 589509296 /nfs/dbraw/zinc/50/92/96/589509296.db2.gz MXOZWSXNUKUEFI-UONOGXRCSA-N 1 2 347.381 0.806 20 30 ECEDLO NC(CN1CCOCC1)=[NH+]OCC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000111181972 589538197 /nfs/dbraw/zinc/53/81/97/589538197.db2.gz HAMHMIFFXCILDC-SFHVURJKSA-N 1 2 346.431 0.875 20 30 ECEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000853355280 589541320 /nfs/dbraw/zinc/54/13/20/589541320.db2.gz BNFVHJBOOBPUFZ-AWEZNQCLSA-N 1 2 339.436 0.694 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CCNC(=O)c2[nH]nc3ccccc32)CC1 ZINC000112403924 589596191 /nfs/dbraw/zinc/59/61/91/589596191.db2.gz JGBSTRUNIBCDMM-UHFFFAOYSA-N 1 2 339.399 0.460 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H](NC(=O)c2ccccn2)C(C)C)CC1 ZINC000112920628 589617357 /nfs/dbraw/zinc/61/73/57/589617357.db2.gz XQPONPQHZHQJKY-MRXNPFEDSA-N 1 2 328.416 0.613 20 30 ECEDLO CCOC(=O)CON=C(C(=O)N[C@H](C)c1[nH+]ccn1C)c1cc[nH]n1 ZINC000856279031 589659020 /nfs/dbraw/zinc/65/90/20/589659020.db2.gz AONHGPZVAYPVON-SNVBAGLBSA-N 1 2 348.363 0.304 20 30 ECEDLO C#Cc1ccc(C[N@H+]2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)OC)cc1 ZINC000857056900 589684748 /nfs/dbraw/zinc/68/47/48/589684748.db2.gz HUKUYYDPEZVTDN-GJZGRUSLSA-N 1 2 341.367 0.336 20 30 ECEDLO C#Cc1ccc(C[N@@H+]2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)OC)cc1 ZINC000857056900 589684750 /nfs/dbraw/zinc/68/47/50/589684750.db2.gz HUKUYYDPEZVTDN-GJZGRUSLSA-N 1 2 341.367 0.336 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000858128286 589725506 /nfs/dbraw/zinc/72/55/06/589725506.db2.gz HTZCJMJSQAIQBK-HNNXBMFYSA-N 1 2 332.404 0.756 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000858925013 589782972 /nfs/dbraw/zinc/78/29/72/589782972.db2.gz XEDRFWWXRNHZOX-DLBZAZTESA-N 1 2 346.431 0.620 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000858925013 589782975 /nfs/dbraw/zinc/78/29/75/589782975.db2.gz XEDRFWWXRNHZOX-DLBZAZTESA-N 1 2 346.431 0.620 20 30 ECEDLO CN(CCc1cccc(C#N)c1)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000867697545 589826800 /nfs/dbraw/zinc/82/68/00/589826800.db2.gz IUUAYTDAKYCKJL-INIZCTEOSA-N 1 2 337.445 0.693 20 30 ECEDLO CN(CCc1cccc(C#N)c1)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000867697545 589826801 /nfs/dbraw/zinc/82/68/01/589826801.db2.gz IUUAYTDAKYCKJL-INIZCTEOSA-N 1 2 337.445 0.693 20 30 ECEDLO C#C[C@@H](NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C)C(C)C ZINC000861513566 589858223 /nfs/dbraw/zinc/85/82/23/589858223.db2.gz JZFWCFLVBPCDPK-SNPRPXQTSA-N 1 2 332.404 0.483 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)n2nnnc2C)CC1 ZINC000118342046 589863011 /nfs/dbraw/zinc/86/30/11/589863011.db2.gz PFIXXIVKOKAXAL-KRWDZBQOSA-N 1 2 338.415 0.543 20 30 ECEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCN(c2ccc(C#N)cc2)CC1 ZINC000868812034 589928755 /nfs/dbraw/zinc/92/87/55/589928755.db2.gz SLQRSHIZGULMAR-KRWDZBQOSA-N 1 2 343.431 0.720 20 30 ECEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCN(c2ccc(C#N)cc2)CC1 ZINC000868812034 589928757 /nfs/dbraw/zinc/92/87/57/589928757.db2.gz SLQRSHIZGULMAR-KRWDZBQOSA-N 1 2 343.431 0.720 20 30 ECEDLO N#C[C@@]1(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)CCCOC1 ZINC000869486342 589967875 /nfs/dbraw/zinc/96/78/75/589967875.db2.gz WWQPGOHKMMFLHO-WMZOPIPTSA-N 1 2 344.415 0.719 20 30 ECEDLO N#C[C@@]1(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)CCCOC1 ZINC000869486342 589967877 /nfs/dbraw/zinc/96/78/77/589967877.db2.gz WWQPGOHKMMFLHO-WMZOPIPTSA-N 1 2 344.415 0.719 20 30 ECEDLO N#CCc1ccsc1C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870077518 589998556 /nfs/dbraw/zinc/99/85/56/589998556.db2.gz MQPFCCBFYWAZSC-CQSZACIVSA-N 1 2 335.429 0.987 20 30 ECEDLO C=CCNC(=S)NN=Cc1c(N2CCCC2)nc(N)[nH+]c1OC ZINC000863953205 590047860 /nfs/dbraw/zinc/04/78/60/590047860.db2.gz PNQHEKQDDRPWLX-UHFFFAOYSA-N 1 2 335.437 0.652 20 30 ECEDLO C#CCN1C(=O)C[C@H]([NH+]2CCC(c3cc(C(=O)OC)on3)CC2)C1=O ZINC000864352702 590077171 /nfs/dbraw/zinc/07/71/71/590077171.db2.gz YTKKWRQBSDLMCE-ZDUSSCGKSA-N 1 2 345.355 0.401 20 30 ECEDLO CC(=O)N1CC[NH+](CCNC(=O)c2ccc3c(C#N)c[nH]c3c2)CC1 ZINC000864873883 590113568 /nfs/dbraw/zinc/11/35/68/590113568.db2.gz MOKWVYGOCYBYDK-UHFFFAOYSA-N 1 2 339.399 0.933 20 30 ECEDLO C#Cc1cccc(NC(=O)CN(C)C(=O)/C=C\C[NH+]2CCOCC2)c1 ZINC000864936862 590117331 /nfs/dbraw/zinc/11/73/31/590117331.db2.gz VNGVEWPMEQWZDQ-YVMONPNESA-N 1 2 341.411 0.953 20 30 ECEDLO C#CCNC(=O)c1ccccc1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865026666 590120862 /nfs/dbraw/zinc/12/08/62/590120862.db2.gz JUDUIZMQSWZBEV-VMPITWQZSA-N 1 2 327.384 0.877 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnn(C(F)F)c2)CC1 ZINC000865177457 590129432 /nfs/dbraw/zinc/12/94/32/590129432.db2.gz COLAIISPZBCSOY-UHFFFAOYSA-N 1 2 339.346 0.176 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnn(C(F)F)c2)CC1 ZINC000865177457 590129434 /nfs/dbraw/zinc/12/94/34/590129434.db2.gz COLAIISPZBCSOY-UHFFFAOYSA-N 1 2 339.346 0.176 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC23CC(OCC)C3)CC1 ZINC000865178221 590129808 /nfs/dbraw/zinc/12/98/08/590129808.db2.gz VDFHWFRAELZJDY-WUJZJPHMSA-N 1 2 347.459 0.475 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC23CC(OCC)C3)CC1 ZINC000865178221 590129809 /nfs/dbraw/zinc/12/98/09/590129809.db2.gz VDFHWFRAELZJDY-WUJZJPHMSA-N 1 2 347.459 0.475 20 30 ECEDLO CC(C)N1C(=O)CC[C@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000874258621 590228599 /nfs/dbraw/zinc/22/85/99/590228599.db2.gz PTBHZSLRMSIBLT-HNNXBMFYSA-N 1 2 336.436 0.460 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000875109829 590272052 /nfs/dbraw/zinc/27/20/52/590272052.db2.gz VXJJLTSBFGRFGG-AWEZNQCLSA-N 1 2 342.399 0.804 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000875286501 590290234 /nfs/dbraw/zinc/29/02/34/590290234.db2.gz BJXUPJZAQFHCBC-ZBFHGGJFSA-N 1 2 329.400 0.444 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000875286501 590290236 /nfs/dbraw/zinc/29/02/36/590290236.db2.gz BJXUPJZAQFHCBC-ZBFHGGJFSA-N 1 2 329.400 0.444 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000875600993 590313460 /nfs/dbraw/zinc/31/34/60/590313460.db2.gz GAPDSYMQZKZNQZ-GOEBONIOSA-N 1 2 329.400 0.444 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000875600993 590313462 /nfs/dbraw/zinc/31/34/62/590313462.db2.gz GAPDSYMQZKZNQZ-GOEBONIOSA-N 1 2 329.400 0.444 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000875602829 590314105 /nfs/dbraw/zinc/31/41/05/590314105.db2.gz MSNPCZAQTJELTK-KGLIPLIRSA-N 1 2 332.404 0.281 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](CC(=O)NC[C@@H]3CCCO3)CC2)cc1 ZINC000879585338 590326437 /nfs/dbraw/zinc/32/64/37/590326437.db2.gz WCVQHJJNAJBUOE-KRWDZBQOSA-N 1 2 328.416 0.975 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 ZINC000879920381 590350345 /nfs/dbraw/zinc/35/03/45/590350345.db2.gz YSDSTZSYNZYWDC-KKUMJFAQSA-N 1 2 339.436 0.847 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 ZINC000879920381 590350347 /nfs/dbraw/zinc/35/03/47/590350347.db2.gz YSDSTZSYNZYWDC-KKUMJFAQSA-N 1 2 339.436 0.847 20 30 ECEDLO COCC(COC)[NH+]1CCN(C(=O)Nc2cccc(CC#N)n2)CC1 ZINC000881144366 590438479 /nfs/dbraw/zinc/43/84/79/590438479.db2.gz UGPABXUEUWUJHR-UHFFFAOYSA-N 1 2 347.419 0.959 20 30 ECEDLO CN(C(=O)CON=C(N)c1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000129165954 590464626 /nfs/dbraw/zinc/46/46/26/590464626.db2.gz CHEVFLSVZOVIBS-UHFFFAOYSA-N 1 2 346.431 0.777 20 30 ECEDLO N#Cc1cc(N2CCC[N@@H+](CC(N)=O)CC2)ncc1Br ZINC000881832828 590479039 /nfs/dbraw/zinc/47/90/39/590479039.db2.gz LGGMEKSMNYOVMD-UHFFFAOYSA-N 1 2 338.209 0.713 20 30 ECEDLO N#Cc1cc(N2CCC[N@H+](CC(N)=O)CC2)ncc1Br ZINC000881832828 590479040 /nfs/dbraw/zinc/47/90/40/590479040.db2.gz LGGMEKSMNYOVMD-UHFFFAOYSA-N 1 2 338.209 0.713 20 30 ECEDLO Cn1nnnc1CC[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000878211193 590506554 /nfs/dbraw/zinc/50/65/54/590506554.db2.gz ZZTKXWVVSMMHSK-UHFFFAOYSA-N 1 2 328.380 0.312 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000126965246 590506649 /nfs/dbraw/zinc/50/66/49/590506649.db2.gz UTZFMMWDMMHSRS-KRWDZBQOSA-N 1 2 328.416 0.511 20 30 ECEDLO C=CC[C@@H](C(=O)OC)N1CC[N@@H+]([C@@H](CC=C)C(=O)OC)CC(O)C1 ZINC000878304383 590514420 /nfs/dbraw/zinc/51/44/20/590514420.db2.gz MIWYVBZLZGQKEL-GJZGRUSLSA-N 1 2 340.420 0.200 20 30 ECEDLO C=CC[C@@H](C(=O)OC)N1CC[N@H+]([C@@H](CC=C)C(=O)OC)CC(O)C1 ZINC000878304383 590514423 /nfs/dbraw/zinc/51/44/23/590514423.db2.gz MIWYVBZLZGQKEL-GJZGRUSLSA-N 1 2 340.420 0.200 20 30 ECEDLO CC(=O)[C@](C#N)(CC[NH+]1CCN(C(=O)[C@H](C)O)CC1)c1ccccc1 ZINC000878331622 590516768 /nfs/dbraw/zinc/51/67/68/590516768.db2.gz WVROTRJKADFEFW-HNAYVOBHSA-N 1 2 343.427 0.952 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)cnc2Cl)CC1 ZINC000878737677 590539287 /nfs/dbraw/zinc/53/92/87/590539287.db2.gz QWVDQSDJGZNEFY-UHFFFAOYSA-N 1 2 348.834 0.941 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)cnc2Cl)CC1 ZINC000878737677 590539288 /nfs/dbraw/zinc/53/92/88/590539288.db2.gz QWVDQSDJGZNEFY-UHFFFAOYSA-N 1 2 348.834 0.941 20 30 ECEDLO C#CC[N@@H+](CC(=O)NC[C@@H]1COc2ccccc2O1)C1CSC1 ZINC000878913220 590551093 /nfs/dbraw/zinc/55/10/93/590551093.db2.gz GKKUZQVRHXTZRO-CQSZACIVSA-N 1 2 332.425 0.993 20 30 ECEDLO C#CC[N@H+](CC(=O)NC[C@@H]1COc2ccccc2O1)C1CSC1 ZINC000878913220 590551096 /nfs/dbraw/zinc/55/10/96/590551096.db2.gz GKKUZQVRHXTZRO-CQSZACIVSA-N 1 2 332.425 0.993 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000879223492 590572127 /nfs/dbraw/zinc/57/21/27/590572127.db2.gz RWERBWGZGLZPNO-RYUDHWBXSA-N 1 2 340.424 0.986 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000879223492 590572129 /nfs/dbraw/zinc/57/21/29/590572129.db2.gz RWERBWGZGLZPNO-RYUDHWBXSA-N 1 2 340.424 0.986 20 30 ECEDLO C[C@H]1C[N@H+](CCOC(=O)CNC(=O)c2ccc(C#N)cc2)CCO1 ZINC000800158758 590722054 /nfs/dbraw/zinc/72/20/54/590722054.db2.gz DPWAIOGWZYQFNW-ZDUSSCGKSA-N 1 2 331.372 0.552 20 30 ECEDLO C[C@H]1C[N@@H+](CCOC(=O)CNC(=O)c2ccc(C#N)cc2)CCO1 ZINC000800158758 590722059 /nfs/dbraw/zinc/72/20/59/590722059.db2.gz DPWAIOGWZYQFNW-ZDUSSCGKSA-N 1 2 331.372 0.552 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cc(C(=O)OC)n(C)c2)C1 ZINC000885511078 590728832 /nfs/dbraw/zinc/72/88/32/590728832.db2.gz BLKHLQSGEFHONV-LBPRGKRZSA-N 1 2 339.417 0.188 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(C(=O)OC)n(C)c2)C1 ZINC000885511078 590728836 /nfs/dbraw/zinc/72/88/36/590728836.db2.gz BLKHLQSGEFHONV-LBPRGKRZSA-N 1 2 339.417 0.188 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)C[C@H](OC)[C@H]2CCOC2)C1 ZINC000885509839 590729151 /nfs/dbraw/zinc/72/91/51/590729151.db2.gz XWSKISAIGWHEJK-KKUMJFAQSA-N 1 2 330.450 0.055 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)C[C@H](OC)[C@H]2CCOC2)C1 ZINC000885509839 590729155 /nfs/dbraw/zinc/72/91/55/590729155.db2.gz XWSKISAIGWHEJK-KKUMJFAQSA-N 1 2 330.450 0.055 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 ZINC000885512850 590730294 /nfs/dbraw/zinc/73/02/94/590730294.db2.gz YYSJXOLHDHYRHA-UONOGXRCSA-N 1 2 338.433 0.220 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 ZINC000885512850 590730296 /nfs/dbraw/zinc/73/02/96/590730296.db2.gz YYSJXOLHDHYRHA-UONOGXRCSA-N 1 2 338.433 0.220 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC000885514155 590730394 /nfs/dbraw/zinc/73/03/94/590730394.db2.gz QZZREPLACDMGQC-MRXNPFEDSA-N 1 2 349.456 0.699 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(CNC(C)=O)cc2)C1 ZINC000885514155 590730398 /nfs/dbraw/zinc/73/03/98/590730398.db2.gz QZZREPLACDMGQC-MRXNPFEDSA-N 1 2 349.456 0.699 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2csnc2C(=O)OC)C1 ZINC000885512080 590730553 /nfs/dbraw/zinc/73/05/53/590730553.db2.gz RJLXBEDWWYZZTA-SNVBAGLBSA-N 1 2 343.430 0.306 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2csnc2C(=O)OC)C1 ZINC000885512080 590730557 /nfs/dbraw/zinc/73/05/57/590730557.db2.gz RJLXBEDWWYZZTA-SNVBAGLBSA-N 1 2 343.430 0.306 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc(C(=O)N(C)C)c2)C1 ZINC000885511380 590730600 /nfs/dbraw/zinc/73/06/00/590730600.db2.gz HEBFJPNQOMJYBH-HNNXBMFYSA-N 1 2 349.456 0.764 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(C(=O)N(C)C)c2)C1 ZINC000885511380 590730604 /nfs/dbraw/zinc/73/06/04/590730604.db2.gz HEBFJPNQOMJYBH-HNNXBMFYSA-N 1 2 349.456 0.764 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CC(=O)N(C)C1CCCCC1 ZINC000884078185 590735052 /nfs/dbraw/zinc/73/50/52/590735052.db2.gz IIMDVWWBVSXHDE-AWEZNQCLSA-N 1 2 339.436 0.683 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000884230603 590783835 /nfs/dbraw/zinc/78/38/35/590783835.db2.gz WDSCZAMCNJIDJC-YPMHNXCESA-N 1 2 336.367 0.362 20 30 ECEDLO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886297472 590827017 /nfs/dbraw/zinc/82/70/17/590827017.db2.gz SFISVATWXABQJP-MCIONIFRSA-N 1 2 338.404 0.858 20 30 ECEDLO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886297472 590827021 /nfs/dbraw/zinc/82/70/21/590827021.db2.gz SFISVATWXABQJP-MCIONIFRSA-N 1 2 338.404 0.858 20 30 ECEDLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2nc(C#N)cs2)C1 ZINC000887976746 591026061 /nfs/dbraw/zinc/02/60/61/591026061.db2.gz RNOJOHGTXNKHLJ-NSHDSACASA-N 1 2 336.417 0.906 20 30 ECEDLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2nc(C#N)cs2)C1 ZINC000887976746 591026066 /nfs/dbraw/zinc/02/60/66/591026066.db2.gz RNOJOHGTXNKHLJ-NSHDSACASA-N 1 2 336.417 0.906 20 30 ECEDLO N#Cc1cc(C(=O)NC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)c[nH]1 ZINC000947997272 611374559 /nfs/dbraw/zinc/37/45/59/611374559.db2.gz VDYPOSUUJZKVEX-UHFFFAOYSA-N 1 2 326.360 0.573 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000948102398 611428408 /nfs/dbraw/zinc/42/84/08/611428408.db2.gz KVMWKZGGCAJZGV-QWHCGFSZSA-N 1 2 329.404 0.712 20 30 ECEDLO COC(=O)C1(C#N)CC[NH+](C[C@@H]2CN=C(c3cnn(C)c3)O2)CC1 ZINC000930638285 611449168 /nfs/dbraw/zinc/44/91/68/611449168.db2.gz IMICXNTZILIWHM-ZDUSSCGKSA-N 1 2 331.376 0.344 20 30 ECEDLO C#CC1(O)CC[NH+](CCS(=O)(=O)CC(=O)OC(C)(C)C)CC1 ZINC000931150226 611511747 /nfs/dbraw/zinc/51/17/47/611511747.db2.gz ZASCIRBKPVLZQW-UHFFFAOYSA-N 1 2 331.434 0.203 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCC[N@H+](Cc2nnnn2C)CC1 ZINC000948317017 611518275 /nfs/dbraw/zinc/51/82/75/611518275.db2.gz XMQWZAOBERECLK-CQSZACIVSA-N 1 2 342.407 0.537 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCC[N@@H+](Cc2nnnn2C)CC1 ZINC000948317017 611518276 /nfs/dbraw/zinc/51/82/76/611518276.db2.gz XMQWZAOBERECLK-CQSZACIVSA-N 1 2 342.407 0.537 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2cccc3[nH]c(=O)[nH]c32)CC1 ZINC000932515424 611636383 /nfs/dbraw/zinc/63/63/83/611636383.db2.gz BGWUVTZYTANMQS-GFCCVEGCSA-N 1 2 327.388 0.528 20 30 ECEDLO C#CC[NH+]1CCC2(CC1)CN(C(=O)C(C)(C)S(C)(=O)=O)CCO2 ZINC000949202618 608671640 /nfs/dbraw/zinc/67/16/40/608671640.db2.gz PHWYHMZEAHLPNQ-UHFFFAOYSA-N 1 2 342.461 0.136 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)[nH]1 ZINC000937427740 608756458 /nfs/dbraw/zinc/75/64/58/608756458.db2.gz FIVCKQMDQPONCT-AWEZNQCLSA-N 1 2 340.387 0.894 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000947216126 608940255 /nfs/dbraw/zinc/94/02/55/608940255.db2.gz CZOVIUQHNRBOTI-QWRGUYRKSA-N 1 2 343.391 0.091 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000947216126 608940257 /nfs/dbraw/zinc/94/02/57/608940257.db2.gz CZOVIUQHNRBOTI-QWRGUYRKSA-N 1 2 343.391 0.091 20 30 ECEDLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000937197310 609034182 /nfs/dbraw/zinc/03/41/82/609034182.db2.gz DGEADOCZFKMYDZ-AWEZNQCLSA-N 1 2 326.360 0.525 20 30 ECEDLO CN1CCN(S(=O)(=O)c2ccsc2C#N)CC[N@H+](C)CC1 ZINC000907789104 609622394 /nfs/dbraw/zinc/62/23/94/609622394.db2.gz GHQICHWASOSWJM-UHFFFAOYSA-N 1 2 328.463 0.488 20 30 ECEDLO CN1CCN(S(=O)(=O)c2ccsc2C#N)CC[N@@H+](C)CC1 ZINC000907789104 609622395 /nfs/dbraw/zinc/62/23/95/609622395.db2.gz GHQICHWASOSWJM-UHFFFAOYSA-N 1 2 328.463 0.488 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)OC)cn2C)C1 ZINC000919874757 609664722 /nfs/dbraw/zinc/66/47/22/609664722.db2.gz DQFJTVBGMCFKGM-CYBMUJFWSA-N 1 2 339.417 0.188 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)OC)cn2C)C1 ZINC000919874757 609664723 /nfs/dbraw/zinc/66/47/23/609664723.db2.gz DQFJTVBGMCFKGM-CYBMUJFWSA-N 1 2 339.417 0.188 20 30 ECEDLO C[C@H](C(=O)NCC#CC[NH+](C)C)S(=O)(=O)c1ccc(F)cc1 ZINC000913516815 609685206 /nfs/dbraw/zinc/68/52/06/609685206.db2.gz HRDDUOWJRVJTAH-GFCCVEGCSA-N 1 2 326.393 0.669 20 30 ECEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913553417 609690870 /nfs/dbraw/zinc/69/08/70/609690870.db2.gz GBOWGYDXHUUGNS-ZDUSSCGKSA-N 1 2 328.372 0.999 20 30 ECEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913553417 609690871 /nfs/dbraw/zinc/69/08/71/609690871.db2.gz GBOWGYDXHUUGNS-ZDUSSCGKSA-N 1 2 328.372 0.999 20 30 ECEDLO N#Cc1ncccc1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921322743 609703657 /nfs/dbraw/zinc/70/36/57/609703657.db2.gz XIKFZVRXJATOTN-YPMHNXCESA-N 1 2 338.458 0.811 20 30 ECEDLO N#Cc1ncccc1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000921322743 609703659 /nfs/dbraw/zinc/70/36/59/609703659.db2.gz XIKFZVRXJATOTN-YPMHNXCESA-N 1 2 338.458 0.811 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)cn1 ZINC000938317035 609731084 /nfs/dbraw/zinc/73/10/84/609731084.db2.gz NWPKHJCBPLWJHU-HNNXBMFYSA-N 1 2 337.383 0.370 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000938293095 609771982 /nfs/dbraw/zinc/77/19/82/609771982.db2.gz NBUMWWJATNIYKJ-HOTGVXAUSA-N 1 2 343.431 0.006 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000938293095 609771984 /nfs/dbraw/zinc/77/19/84/609771984.db2.gz NBUMWWJATNIYKJ-HOTGVXAUSA-N 1 2 343.431 0.006 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000938293095 609771987 /nfs/dbraw/zinc/77/19/87/609771987.db2.gz NBUMWWJATNIYKJ-HOTGVXAUSA-N 1 2 343.431 0.006 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2cncc2C)C1 ZINC000938293095 609771989 /nfs/dbraw/zinc/77/19/89/609771989.db2.gz NBUMWWJATNIYKJ-HOTGVXAUSA-N 1 2 343.431 0.006 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2cncc2C)C1 ZINC000938293095 609771991 /nfs/dbraw/zinc/77/19/91/609771991.db2.gz NBUMWWJATNIYKJ-HOTGVXAUSA-N 1 2 343.431 0.006 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc1F ZINC000917061733 609959653 /nfs/dbraw/zinc/95/96/53/609959653.db2.gz QHLNIRXFSKXSPJ-ZDUSSCGKSA-N 1 2 338.408 0.366 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCN2CCC3)cc1F ZINC000917061733 609959656 /nfs/dbraw/zinc/95/96/56/609959656.db2.gz QHLNIRXFSKXSPJ-ZDUSSCGKSA-N 1 2 338.408 0.366 20 30 ECEDLO Cc1cccc(C#N)c1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000917065929 609960232 /nfs/dbraw/zinc/96/02/32/609960232.db2.gz CFKBSKLCOAFAAZ-OAHLLOKOSA-N 1 2 334.445 0.535 20 30 ECEDLO Cc1cccc(C#N)c1S(=O)(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000917065929 609960233 /nfs/dbraw/zinc/96/02/33/609960233.db2.gz CFKBSKLCOAFAAZ-OAHLLOKOSA-N 1 2 334.445 0.535 20 30 ECEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000917220290 609964472 /nfs/dbraw/zinc/96/44/72/609964472.db2.gz BNLTVIGDODWQJB-BZUAXINKSA-N 1 2 336.484 0.250 20 30 ECEDLO C=CCn1cc(C(=O)N(C)[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC000938779580 609994446 /nfs/dbraw/zinc/99/44/46/609994446.db2.gz CQOIPQLNIQJNJP-ZDUSSCGKSA-N 1 2 343.391 0.034 20 30 ECEDLO Cc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2CO)nn1-c1cccc(C#N)c1 ZINC000912740012 609996275 /nfs/dbraw/zinc/99/62/75/609996275.db2.gz MSEMHXQRGHSLJJ-INIZCTEOSA-N 1 2 339.399 0.801 20 30 ECEDLO Cc1cc(C(=O)N2CC[N@H+](C)C[C@H]2CO)nn1-c1cccc(C#N)c1 ZINC000912740012 609996276 /nfs/dbraw/zinc/99/62/76/609996276.db2.gz MSEMHXQRGHSLJJ-INIZCTEOSA-N 1 2 339.399 0.801 20 30 ECEDLO C#CC1(O)CCN(C(=O)c2cccn2CC[NH+]2CCOCC2)CC1 ZINC000912971481 610026157 /nfs/dbraw/zinc/02/61/57/610026157.db2.gz NBUDOJMFGNNVIN-UHFFFAOYSA-N 1 2 331.416 0.421 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000938905216 610026517 /nfs/dbraw/zinc/02/65/17/610026517.db2.gz CWPHLKOZHWVHRV-CQSZACIVSA-N 1 2 340.387 0.535 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)nc1 ZINC000938969075 610058811 /nfs/dbraw/zinc/05/88/11/610058811.db2.gz SVSPAHADADRDMT-HNNXBMFYSA-N 1 2 337.383 0.702 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N(C)[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC000939408834 610193212 /nfs/dbraw/zinc/19/32/12/610193212.db2.gz BXEJBIRBEYFIRQ-TZMCWYRMSA-N 1 2 330.388 0.852 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000940099105 610208250 /nfs/dbraw/zinc/20/82/50/610208250.db2.gz QNNFPRGVRIEFRA-GFCCVEGCSA-N 1 2 326.360 0.491 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c(Cl)cnn3C)CC2)C1 ZINC000941410671 610301627 /nfs/dbraw/zinc/30/16/27/610301627.db2.gz LOQSMODNXKTCQZ-UHFFFAOYSA-N 1 2 335.839 0.539 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnn4c3CCC4)CC2)C1 ZINC000941430836 610311879 /nfs/dbraw/zinc/31/18/79/610311879.db2.gz DFWVNKWWAPZGAM-UHFFFAOYSA-N 1 2 327.432 0.295 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000941449435 610323871 /nfs/dbraw/zinc/32/38/71/610323871.db2.gz HLRLJDXEKVANBS-KGLIPLIRSA-N 1 2 329.404 0.666 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc4nc[nH]c4n3)CC2)C1 ZINC000941452482 610326367 /nfs/dbraw/zinc/32/63/67/610326367.db2.gz YOCUFSLEONHZMD-UHFFFAOYSA-N 1 2 338.415 0.423 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000940812684 610386340 /nfs/dbraw/zinc/38/63/40/610386340.db2.gz QRMZKQNMYFVJFZ-UHFFFAOYSA-N 1 2 340.387 0.835 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cccc(OC)n3)CC2)C1 ZINC000941627264 610415983 /nfs/dbraw/zinc/41/59/83/610415983.db2.gz BCPWIZASKLWJPZ-UHFFFAOYSA-N 1 2 328.416 0.556 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(NC(C)=O)cc3)CC2)C1 ZINC000941649470 610440429 /nfs/dbraw/zinc/44/04/29/610440429.db2.gz WXFVCIAUPBTSOB-UHFFFAOYSA-N 1 2 340.427 0.720 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCc3c(C)n[nH]c3C)CC2)C1 ZINC000941665358 610456685 /nfs/dbraw/zinc/45/66/85/610456685.db2.gz URTUSAIXKNTSCV-UHFFFAOYSA-N 1 2 329.448 0.421 20 30 ECEDLO O=C(C#CC1CC1)N1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000941004299 610488987 /nfs/dbraw/zinc/48/89/87/610488987.db2.gz XBAOLQDYYLSCTO-MRXNPFEDSA-N 1 2 340.427 0.920 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(C)n3)C[C@H]2C)c1 ZINC000942616334 610538596 /nfs/dbraw/zinc/53/85/96/610538596.db2.gz KTKQMAPJTYBMKF-DYVFJYSZSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3cnn(C)n3)C[C@H]2C)c1 ZINC000942616334 610538598 /nfs/dbraw/zinc/53/85/98/610538598.db2.gz KTKQMAPJTYBMKF-DYVFJYSZSA-N 1 2 338.415 0.832 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000941931708 610568738 /nfs/dbraw/zinc/56/87/38/610568738.db2.gz ICAKWKIENJCRIG-KEYYUXOJSA-N 1 2 346.431 0.959 20 30 ECEDLO Cc1cncc(C[NH+]2CC(N3CCN(C(=O)[C@H](C)C#N)CC3)C2)c1 ZINC000941348865 610685410 /nfs/dbraw/zinc/68/54/10/610685410.db2.gz REHWKESUVKOYPG-OAHLLOKOSA-N 1 2 327.432 0.878 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCCN(C(=O)C#CC2CC2)C1 ZINC000943382609 610816127 /nfs/dbraw/zinc/81/61/27/610816127.db2.gz WMAOWIIDSPQDIB-OAHLLOKOSA-N 1 2 328.416 0.873 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CCCN2C(=O)Cc2c[nH+]c[nH]2)c[nH]1 ZINC000944327223 610838428 /nfs/dbraw/zinc/83/84/28/610838428.db2.gz HGZUPPSUSFIYFF-CQSZACIVSA-N 1 2 326.360 0.573 20 30 ECEDLO O=C(C#CC1CC1)N1CC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC000945023925 610884228 /nfs/dbraw/zinc/88/42/28/610884228.db2.gz YMPZTOVMTZFLPY-UHFFFAOYSA-N 1 2 326.400 0.817 20 30 ECEDLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000945542020 611065899 /nfs/dbraw/zinc/06/58/99/611065899.db2.gz NKULUPXHEKTGKO-NHYWBVRUSA-N 1 2 340.387 0.819 20 30 ECEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000948958508 611770351 /nfs/dbraw/zinc/77/03/51/611770351.db2.gz NVWVEVVIDJCFQZ-YESZJQIVSA-N 1 2 341.411 0.368 20 30 ECEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000948958508 611770353 /nfs/dbraw/zinc/77/03/53/611770353.db2.gz NVWVEVVIDJCFQZ-YESZJQIVSA-N 1 2 341.411 0.368 20 30 ECEDLO C#C[C@@H]1CCCC[N@H+]1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000934513059 611805637 /nfs/dbraw/zinc/80/56/37/611805637.db2.gz GHUUFMMZQYDVIJ-CQSZACIVSA-N 1 2 347.440 0.711 20 30 ECEDLO C#C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000934513059 611805639 /nfs/dbraw/zinc/80/56/39/611805639.db2.gz GHUUFMMZQYDVIJ-CQSZACIVSA-N 1 2 347.440 0.711 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000950746166 611882379 /nfs/dbraw/zinc/88/23/79/611882379.db2.gz FKXRVLDAMVEMOI-GDBMZVCRSA-N 1 2 326.400 0.576 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC000950780129 611905973 /nfs/dbraw/zinc/90/59/73/611905973.db2.gz LCKCIXGVATXCRC-ARFHVFGLSA-N 1 2 349.394 0.920 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC000950780129 611905974 /nfs/dbraw/zinc/90/59/74/611905974.db2.gz LCKCIXGVATXCRC-ARFHVFGLSA-N 1 2 349.394 0.920 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)nc1 ZINC000950800500 611913601 /nfs/dbraw/zinc/91/36/01/611913601.db2.gz DZEIMFXXBBJFLK-CZUORRHYSA-N 1 2 337.383 0.536 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CC1)C[N@@H+]([C@@H]1CCCNC1=O)CCO2 ZINC000949320160 611937831 /nfs/dbraw/zinc/93/78/31/611937831.db2.gz GTNVZKKRTRVUOK-UONOGXRCSA-N 1 2 334.420 0.118 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CC1)C[N@H+]([C@@H]1CCCNC1=O)CCO2 ZINC000949320160 611937832 /nfs/dbraw/zinc/93/78/32/611937832.db2.gz GTNVZKKRTRVUOK-UONOGXRCSA-N 1 2 334.420 0.118 20 30 ECEDLO O=C(C#CC1CC1)N1CCC2(CC1)C[N@H+](CC(=O)N1CCC1)CCO2 ZINC000949362269 611952362 /nfs/dbraw/zinc/95/23/62/611952362.db2.gz GRKOTIHHGHDIIU-UHFFFAOYSA-N 1 2 345.443 0.326 20 30 ECEDLO O=C(C#CC1CC1)N1CCC2(CC1)C[N@@H+](CC(=O)N1CCC1)CCO2 ZINC000949362269 611952365 /nfs/dbraw/zinc/95/23/65/611952365.db2.gz GRKOTIHHGHDIIU-UHFFFAOYSA-N 1 2 345.443 0.326 20 30 ECEDLO N#CCN1CCOC2(CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)C1 ZINC000949401417 611966086 /nfs/dbraw/zinc/96/60/86/611966086.db2.gz BQNVCBFRWUWHFB-HNNXBMFYSA-N 1 2 343.431 0.662 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccnc4n[nH]nc43)CC2)C1 ZINC000949412214 611969937 /nfs/dbraw/zinc/96/99/37/611969937.db2.gz STJYBCQUTLCEOS-UHFFFAOYSA-N 1 2 340.387 0.293 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccnc4n[nH]nc43)CC2)C1 ZINC000949412214 611969940 /nfs/dbraw/zinc/96/99/40/611969940.db2.gz STJYBCQUTLCEOS-UHFFFAOYSA-N 1 2 340.387 0.293 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](OC)[C@@H]3CCOC3)CC2)C1 ZINC000949427543 611975614 /nfs/dbraw/zinc/97/56/14/611975614.db2.gz PBGVYVUYJNECHR-CVEARBPZSA-N 1 2 336.432 0.365 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](OC)[C@@H]3CCOC3)CC2)C1 ZINC000949427543 611975616 /nfs/dbraw/zinc/97/56/16/611975616.db2.gz PBGVYVUYJNECHR-CVEARBPZSA-N 1 2 336.432 0.365 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)CCn2cc[nH+]c2)[nH]1 ZINC000949449923 611985190 /nfs/dbraw/zinc/98/51/90/611985190.db2.gz UABYFFPFJRVHNU-ZDUSSCGKSA-N 1 2 326.360 0.504 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[NH+](CCn3nc(C)nc3C)CC2)c1 ZINC000950406618 612003332 /nfs/dbraw/zinc/00/33/32/612003332.db2.gz ADOLRVRLVYOKEJ-UHFFFAOYSA-N 1 2 338.415 0.729 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000950476408 612034220 /nfs/dbraw/zinc/03/42/20/612034220.db2.gz ADFFTEKMCVTWCT-ZDUSSCGKSA-N 1 2 340.387 0.881 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC000952946749 612135946 /nfs/dbraw/zinc/13/59/46/612135946.db2.gz VJHCOKYLVSLTRJ-YOEHRIQHSA-N 1 2 329.404 0.884 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000952958701 612138517 /nfs/dbraw/zinc/13/85/17/612138517.db2.gz VXKOAFBICQFXCU-DYVFJYSZSA-N 1 2 329.404 0.953 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC000951494683 612269378 /nfs/dbraw/zinc/26/93/78/612269378.db2.gz PSPVEMVJTPUUQT-HNNXBMFYSA-N 1 2 337.383 0.750 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC000953401498 612310995 /nfs/dbraw/zinc/31/09/95/612310995.db2.gz CBKZTBVYTVXNBY-CABCVRRESA-N 1 2 326.400 0.815 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000954498797 612333858 /nfs/dbraw/zinc/33/38/58/612333858.db2.gz QICDIFLAEZPMPR-LBPRGKRZSA-N 1 2 346.456 0.935 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000954498797 612333862 /nfs/dbraw/zinc/33/38/62/612333862.db2.gz QICDIFLAEZPMPR-LBPRGKRZSA-N 1 2 346.456 0.935 20 30 ECEDLO C=CCn1cc(C(=O)N(CC)C2C[NH+](CCc3ccnn3C)C2)nn1 ZINC000952425549 612425488 /nfs/dbraw/zinc/42/54/88/612425488.db2.gz SUBSAMPUYPFGSV-UHFFFAOYSA-N 1 2 343.435 0.587 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)C1CN(C(=O)[C@H](C)C#N)C1)C2 ZINC000954609015 612447104 /nfs/dbraw/zinc/44/71/04/612447104.db2.gz OPBNGVWGOLGZCT-PWSUYJOCSA-N 1 2 329.404 0.652 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)C1CN(C(=O)[C@H](C)C#N)C1)CC2 ZINC000954609015 612447106 /nfs/dbraw/zinc/44/71/06/612447106.db2.gz OPBNGVWGOLGZCT-PWSUYJOCSA-N 1 2 329.404 0.652 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@](C)(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000956791349 612548722 /nfs/dbraw/zinc/54/87/22/612548722.db2.gz AUCVMGBPVWBWKH-KDOFPFPSSA-N 1 2 335.448 0.781 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@](C)(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000956791349 612548729 /nfs/dbraw/zinc/54/87/29/612548729.db2.gz AUCVMGBPVWBWKH-KDOFPFPSSA-N 1 2 335.448 0.781 20 30 ECEDLO C[C@@]1(NC(=O)c2c[nH]c(C#N)c2)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000956842921 612617056 /nfs/dbraw/zinc/61/70/56/612617056.db2.gz NODVAYXWVCYURH-MRXNPFEDSA-N 1 2 326.360 0.504 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000954772459 612669861 /nfs/dbraw/zinc/66/98/61/612669861.db2.gz PWDLPJBFVMVYHM-CVEARBPZSA-N 1 2 346.431 0.924 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000954934416 612796973 /nfs/dbraw/zinc/79/69/73/612796973.db2.gz GOMNBGPPHRYAAO-HIFRSBDPSA-N 1 2 332.404 0.521 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000955797934 612845223 /nfs/dbraw/zinc/84/52/23/612845223.db2.gz PDRMIXYAVSMMDB-DGCLKSJQSA-N 1 2 340.387 0.961 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CC[C@H]([NH+]3CCN(C(=O)C4CC4)CC3)C2)c1 ZINC000956572713 612914714 /nfs/dbraw/zinc/91/47/14/612914714.db2.gz BVTWXWNAUKNUQE-HNNXBMFYSA-N 1 2 341.415 0.655 20 30 ECEDLO CCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)CC1 ZINC000956572751 612914931 /nfs/dbraw/zinc/91/49/31/612914931.db2.gz RTNWJUPYWDEJRB-AWEZNQCLSA-N 1 2 329.404 0.655 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCOC3)C2)CC1 ZINC000956600047 612923311 /nfs/dbraw/zinc/92/33/11/612923311.db2.gz UGAOYSZGQZXAAS-CVEARBPZSA-N 1 2 349.475 0.980 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCOC3)C2)CC1 ZINC000956600049 612923313 /nfs/dbraw/zinc/92/33/13/612923313.db2.gz UGAOYSZGQZXAAS-HOTGVXAUSA-N 1 2 349.475 0.980 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C3=COCCC3)C2)CC1 ZINC000956606892 612924978 /nfs/dbraw/zinc/92/49/78/612924978.db2.gz VWEWBXIDCYWMQH-GOEBONIOSA-N 1 2 346.431 0.585 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N(C)[C@H](C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001104541837 738449203 /nfs/dbraw/zinc/44/92/03/738449203.db2.gz VVVXICAUIMNTGK-BZNIZROVSA-N 1 2 336.440 0.832 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001024987564 738461962 /nfs/dbraw/zinc/46/19/62/738461962.db2.gz MNQQGPQADASWLR-KGLIPLIRSA-N 1 2 346.435 0.079 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001024987564 738461963 /nfs/dbraw/zinc/46/19/63/738461963.db2.gz MNQQGPQADASWLR-KGLIPLIRSA-N 1 2 346.435 0.079 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccn3ccnc3c2)[C@@H](n2ccnn2)C1 ZINC001069977374 790269460 /nfs/dbraw/zinc/26/94/60/790269460.db2.gz RVKQFHAWEQLXPO-CABCVRRESA-N 1 2 337.387 0.767 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ccn3ccnc3c2)[C@@H](n2ccnn2)C1 ZINC001069977374 790269466 /nfs/dbraw/zinc/26/94/66/790269466.db2.gz RVKQFHAWEQLXPO-CABCVRRESA-N 1 2 337.387 0.767 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000969269777 731656757 /nfs/dbraw/zinc/65/67/57/731656757.db2.gz UZGLVIRCZCIMOZ-LJISPDSOSA-N 1 2 341.415 0.807 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)Cn2cc[nH+]c2)cn1 ZINC000969316299 731709768 /nfs/dbraw/zinc/70/97/68/731709768.db2.gz ZOEOSUFWXFJROO-CALCHBBNSA-N 1 2 349.394 0.775 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccnc4c3ncn4C)[C@H]2C1 ZINC001083188386 731764752 /nfs/dbraw/zinc/76/47/52/731764752.db2.gz SNRYQLBRVCXOOA-UONOGXRCSA-N 1 2 325.372 0.127 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccnc4c3ncn4C)[C@H]2C1 ZINC001083188386 731764754 /nfs/dbraw/zinc/76/47/54/731764754.db2.gz SNRYQLBRVCXOOA-UONOGXRCSA-N 1 2 325.372 0.127 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4cccn4)n3)[C@H]2C1 ZINC001083190783 731921352 /nfs/dbraw/zinc/92/13/52/731921352.db2.gz YTMZPFSUXZGJOP-JKSUJKDBSA-N 1 2 337.383 0.426 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4cccn4)n3)[C@H]2C1 ZINC001083190783 731921358 /nfs/dbraw/zinc/92/13/58/731921358.db2.gz YTMZPFSUXZGJOP-JKSUJKDBSA-N 1 2 337.383 0.426 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC000970015772 732622062 /nfs/dbraw/zinc/62/20/62/732622062.db2.gz YWOKNXIVSQYIHX-UPJWGTAASA-N 1 2 335.408 0.417 20 30 ECEDLO CN(C[C@H](O)CN(C)c1ccc(C#N)cn1)C(=O)CCc1c[nH]c[nH+]1 ZINC001125319896 732945401 /nfs/dbraw/zinc/94/54/01/732945401.db2.gz FDAWQZOPXFZAGR-OAHLLOKOSA-N 1 2 342.403 0.565 20 30 ECEDLO CN(C[C@H](O)CN(C)c1ccc(C#N)cn1)C(=O)CCc1c[nH+]c[nH]1 ZINC001125319896 732945404 /nfs/dbraw/zinc/94/54/04/732945404.db2.gz FDAWQZOPXFZAGR-OAHLLOKOSA-N 1 2 342.403 0.565 20 30 ECEDLO C=CCCCN(CC)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000890814625 733124391 /nfs/dbraw/zinc/12/43/91/733124391.db2.gz ZAQVDICQAQFGIX-INIZCTEOSA-N 1 2 337.464 0.982 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)NC[C@H](C)CNc2ccnc(C#N)n2)c[nH+]1 ZINC001104260134 733445495 /nfs/dbraw/zinc/44/54/95/733445495.db2.gz KQUODWKPTKTERE-GFCCVEGCSA-N 1 2 341.419 0.875 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCc3nnnn3CC2)C1 ZINC000970456848 733557371 /nfs/dbraw/zinc/55/73/71/733557371.db2.gz GJCHXTXJIHNJSF-NEPJUHHUSA-N 1 2 338.843 0.815 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)COc3cccc(OC)c3)[C@H]2C1 ZINC001083201329 733558997 /nfs/dbraw/zinc/55/89/97/733558997.db2.gz FGVSVTRMTAMNQX-DLBZAZTESA-N 1 2 330.384 0.619 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)COc3cccc(OC)c3)[C@H]2C1 ZINC001083201329 733558998 /nfs/dbraw/zinc/55/89/98/733558998.db2.gz FGVSVTRMTAMNQX-DLBZAZTESA-N 1 2 330.384 0.619 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cnnn2C)C1 ZINC000970571556 733685528 /nfs/dbraw/zinc/68/55/28/733685528.db2.gz MFKXJFULXZURDP-KCXAZCMYSA-N 1 2 333.436 0.733 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC000970825131 733993305 /nfs/dbraw/zinc/99/33/05/733993305.db2.gz IEQJESKIXWXSJV-SMDDNHRTSA-N 1 2 329.828 0.423 20 30 ECEDLO N#Cc1cnc(N2CCO[C@@H](CNC(=O)CCc3[nH]cc[nH+]3)C2)cn1 ZINC001104308347 734198543 /nfs/dbraw/zinc/19/85/43/734198543.db2.gz IQGJIAFLWYZBJH-ZDUSSCGKSA-N 1 2 341.375 0.026 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H]1CN(c2cc(C)[nH+]c(CC)n2)CCO1 ZINC001104330403 734369865 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ZINC001213177395 737059571 /nfs/dbraw/zinc/05/95/71/737059571.db2.gz LMRAYJJKMOWZTI-HUUCEWRRSA-N 1 2 347.415 0.939 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn(CCC)nn3)C2)C1 ZINC000972617536 737108491 /nfs/dbraw/zinc/10/84/91/737108491.db2.gz QFVSOXMTUDDSGA-KRWDZBQOSA-N 1 2 331.420 0.628 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(CCC)nn3)C2)C1 ZINC000972617536 737108493 /nfs/dbraw/zinc/10/84/93/737108493.db2.gz QFVSOXMTUDDSGA-KRWDZBQOSA-N 1 2 331.420 0.628 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(N4CCOCC4)CCC3)C2)C1 ZINC000972621798 737126525 /nfs/dbraw/zinc/12/65/25/737126525.db2.gz OXCTYBMDAGECEN-GOSISDBHSA-N 1 2 349.475 0.731 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(N4CCOCC4)CCC3)C2)C1 ZINC000972621798 737126527 /nfs/dbraw/zinc/12/65/27/737126527.db2.gz OXCTYBMDAGECEN-GOSISDBHSA-N 1 2 349.475 0.731 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCCN(C)C3=O)C2)C1 ZINC000972633974 737180060 /nfs/dbraw/zinc/18/00/60/737180060.db2.gz JJGSZZRGWQJZOW-APWZRJJASA-N 1 2 347.459 0.572 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCCN(C)C3=O)C2)C1 ZINC000972633974 737180062 /nfs/dbraw/zinc/18/00/62/737180062.db2.gz JJGSZZRGWQJZOW-APWZRJJASA-N 1 2 347.459 0.572 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 ZINC000972635929 737185911 /nfs/dbraw/zinc/18/59/11/737185911.db2.gz VLJZJXBDMUOHJW-GOSISDBHSA-N 1 2 328.416 0.459 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 ZINC000972635929 737185913 /nfs/dbraw/zinc/18/59/13/737185913.db2.gz VLJZJXBDMUOHJW-GOSISDBHSA-N 1 2 328.416 0.459 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)N3CCCC3=O)C2)C1 ZINC000972636115 737188224 /nfs/dbraw/zinc/18/82/24/737188224.db2.gz XIWOZLVLJXRWIH-CRAIPNDOSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)N3CCCC3=O)C2)C1 ZINC000972636115 737188226 /nfs/dbraw/zinc/18/82/26/737188226.db2.gz XIWOZLVLJXRWIH-CRAIPNDOSA-N 1 2 333.432 0.324 20 30 ECEDLO C[NH+](C)[C@H](C(=O)N1CC[C@@]2(C1)CN(CC#N)CCO2)c1cccnc1 ZINC000972695492 737405087 /nfs/dbraw/zinc/40/50/87/737405087.db2.gz TVGDDFYIBXINRY-WMZOPIPTSA-N 1 2 343.431 0.511 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)nc3)C2)C1 ZINC000972699708 737442059 /nfs/dbraw/zinc/44/20/59/737442059.db2.gz LKOMQTOABOIONB-SFHVURJKSA-N 1 2 342.399 0.121 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)nc3)C2)C1 ZINC000972699708 737442062 /nfs/dbraw/zinc/44/20/62/737442062.db2.gz LKOMQTOABOIONB-SFHVURJKSA-N 1 2 342.399 0.121 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c(OC)ncnc3OC)C2)C1 ZINC000972700219 737454277 /nfs/dbraw/zinc/45/42/77/737454277.db2.gz VIGLEMZQEKGFOJ-KRWDZBQOSA-N 1 2 348.403 0.597 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c(OC)ncnc3OC)C2)C1 ZINC000972700219 737454280 /nfs/dbraw/zinc/45/42/80/737454280.db2.gz VIGLEMZQEKGFOJ-KRWDZBQOSA-N 1 2 348.403 0.597 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)ccn3)C2)C1 ZINC000972707083 737518293 /nfs/dbraw/zinc/51/82/93/737518293.db2.gz GGCFYWDMVDMQOJ-KRWDZBQOSA-N 1 2 330.388 0.283 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)ccn3)C2)C1 ZINC000972707083 737518294 /nfs/dbraw/zinc/51/82/94/737518294.db2.gz GGCFYWDMVDMQOJ-KRWDZBQOSA-N 1 2 330.388 0.283 20 30 ECEDLO N#Cc1ccc(C(=O)NCC[NH2+]Cc2nnc([C@H]3CCCOC3)o2)[nH]1 ZINC001125782732 737770549 /nfs/dbraw/zinc/77/05/49/737770549.db2.gz IDZSOUWNFDWRFI-NSHDSACASA-N 1 2 344.375 0.683 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(C(C)C)CC2)C[C@H]1O ZINC001024358682 737920707 /nfs/dbraw/zinc/92/07/07/737920707.db2.gz PZWZWFVVARYXBN-OWCLPIDISA-N 1 2 347.459 0.208 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(C(C)C)CC2)C[C@H]1O ZINC001024358682 737920710 /nfs/dbraw/zinc/92/07/10/737920710.db2.gz PZWZWFVVARYXBN-OWCLPIDISA-N 1 2 347.459 0.208 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001024661016 738205628 /nfs/dbraw/zinc/20/56/28/738205628.db2.gz WLQGSFQFGCVUBA-MJBXVCDLSA-N 1 2 349.435 0.170 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC001024661016 738205630 /nfs/dbraw/zinc/20/56/30/738205630.db2.gz WLQGSFQFGCVUBA-MJBXVCDLSA-N 1 2 349.435 0.170 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)[C@H]2C1 ZINC001083271592 738249572 /nfs/dbraw/zinc/24/95/72/738249572.db2.gz QXENCXAJKMXLTR-HYVNUMGLSA-N 1 2 345.443 0.322 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)[C@H]2C1 ZINC001083271592 738249574 /nfs/dbraw/zinc/24/95/74/738249574.db2.gz QXENCXAJKMXLTR-HYVNUMGLSA-N 1 2 345.443 0.322 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001024812154 738316979 /nfs/dbraw/zinc/31/69/79/738316979.db2.gz JMKTWLBNZWNLIT-NSHDSACASA-N 1 2 340.815 0.100 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC001024812154 738316984 /nfs/dbraw/zinc/31/69/84/738316984.db2.gz JMKTWLBNZWNLIT-NSHDSACASA-N 1 2 340.815 0.100 20 30 ECEDLO C=C1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001025302815 739017327 /nfs/dbraw/zinc/01/73/27/739017327.db2.gz XSFFARLQHCVTBC-ZIAGYGMSSA-N 1 2 332.404 0.387 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)nn1 ZINC000973318072 739086526 /nfs/dbraw/zinc/08/65/26/739086526.db2.gz SIYZTUYQORLYOI-HAQNSBGRSA-N 1 2 343.391 0.197 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3noc4c3COCC4)[C@H]2C1 ZINC001083281566 739518752 /nfs/dbraw/zinc/51/87/52/739518752.db2.gz SCGSSDQIRHUFTB-DZGCQCFKSA-N 1 2 331.372 0.296 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3noc4c3COCC4)[C@H]2C1 ZINC001083281566 739518756 /nfs/dbraw/zinc/51/87/56/739518756.db2.gz SCGSSDQIRHUFTB-DZGCQCFKSA-N 1 2 331.372 0.296 20 30 ECEDLO C[C@@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001104729992 739545177 /nfs/dbraw/zinc/54/51/77/739545177.db2.gz OKOZMIBAFWTIOF-QWHCGFSZSA-N 1 2 339.403 0.488 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3nncn3C)C[C@H]21 ZINC001026056809 740344044 /nfs/dbraw/zinc/34/40/44/740344044.db2.gz CRPRVVHFDXGYBT-ZLCQRPCESA-N 1 2 331.420 0.514 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3nncn3C)C[C@H]21 ZINC001026056809 740344050 /nfs/dbraw/zinc/34/40/50/740344050.db2.gz CRPRVVHFDXGYBT-ZLCQRPCESA-N 1 2 331.420 0.514 20 30 ECEDLO C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)CCc1[nH+]ccn1C ZINC001104893015 740833955 /nfs/dbraw/zinc/83/39/55/740833955.db2.gz XVTCDUQIEBWDRL-GFCCVEGCSA-N 1 2 327.392 0.973 20 30 ECEDLO C#CCOc1ccc(C(=O)N2CCC[N@@H+]([C@H]3CCNC3=O)CC2)cc1 ZINC000982111087 751605173 /nfs/dbraw/zinc/60/51/73/751605173.db2.gz NHHKPGQCWNEWLC-KRWDZBQOSA-N 1 2 341.411 0.735 20 30 ECEDLO C#CCOc1ccc(C(=O)N2CCC[N@H+]([C@H]3CCNC3=O)CC2)cc1 ZINC000982111087 751605177 /nfs/dbraw/zinc/60/51/77/751605177.db2.gz NHHKPGQCWNEWLC-KRWDZBQOSA-N 1 2 341.411 0.735 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)C(C)C)C2)nn1 ZINC001098615632 741097493 /nfs/dbraw/zinc/09/74/93/741097493.db2.gz XHUPAPZBHOMYJW-AWEZNQCLSA-N 1 2 334.424 0.099 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)C3CCCC3)C2)nn1 ZINC001105133164 741405171 /nfs/dbraw/zinc/40/51/71/741405171.db2.gz RVFHZWZTYYEBFY-UHFFFAOYSA-N 1 2 331.420 0.591 20 30 ECEDLO C=CCCC(=O)N1CC(n2cc(C[NH2+][C@H]3CCN(CC)C3=O)nn2)C1 ZINC001105183017 741448605 /nfs/dbraw/zinc/44/86/05/741448605.db2.gz AFNPOLVJEQLTAD-HNNXBMFYSA-N 1 2 346.435 0.338 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCOCC3)C2)nn1 ZINC001105223671 741500541 /nfs/dbraw/zinc/50/05/41/741500541.db2.gz CYSMYHLODUAZLT-CQSZACIVSA-N 1 2 331.420 0.591 20 30 ECEDLO C#CCCCC(=O)N1CC(n2cc(C[NH2+]Cc3ccnn3C)nn2)C1 ZINC001105225449 741507493 /nfs/dbraw/zinc/50/74/93/741507493.db2.gz SMWOFFNRXPLZGB-UHFFFAOYSA-N 1 2 341.419 0.488 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC(n2cc(C[NH2+]C/C=C/Cl)nn2)C1 ZINC001105240754 741529105 /nfs/dbraw/zinc/52/91/05/741529105.db2.gz ZWCNIBAWNTYYLJ-ZYOFXKKJSA-N 1 2 337.811 0.542 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C3(c4ccccn4)CC3)C2)nn1 ZINC001105238385 741533073 /nfs/dbraw/zinc/53/30/73/741533073.db2.gz XZYAWWMJLJEAPX-UHFFFAOYSA-N 1 2 336.399 0.511 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c(F)cncc3F)C2)nn1 ZINC001105248883 741551485 /nfs/dbraw/zinc/55/14/85/741551485.db2.gz CSGDYCCPGFWJOX-UHFFFAOYSA-N 1 2 332.314 0.371 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC(n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001105249599 741558442 /nfs/dbraw/zinc/55/84/42/741558442.db2.gz XLYBZQRWEWMLJI-LLVKDONJSA-N 1 2 334.424 0.227 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C3(COC)CCCC3)C2)nn1 ZINC001105256666 741571704 /nfs/dbraw/zinc/57/17/04/741571704.db2.gz MXLKPOLDIUEHHY-UHFFFAOYSA-N 1 2 331.420 0.591 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ncc(F)cc3F)C2)nn1 ZINC001105270506 741616764 /nfs/dbraw/zinc/61/67/64/741616764.db2.gz AEYKMCPVRMWPJZ-UHFFFAOYSA-N 1 2 346.341 0.761 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccn4ccnc4c3)C2)nn1 ZINC001105281014 741639820 /nfs/dbraw/zinc/63/98/20/741639820.db2.gz PSPGIHRUGBNSIP-UHFFFAOYSA-N 1 2 335.371 0.346 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CCC(C)(C)CO3)C2)nn1 ZINC001105285060 741644446 /nfs/dbraw/zinc/64/44/46/741644446.db2.gz BMPNUKKCAOBEOT-MRXNPFEDSA-N 1 2 345.447 0.980 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C4CC4)on3)C2)nn1 ZINC001105295024 741667174 /nfs/dbraw/zinc/66/71/74/741667174.db2.gz UXAPCNBZHCFHEV-UHFFFAOYSA-N 1 2 326.360 0.563 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(OC)ccn3)C2)nn1 ZINC001105296904 741673709 /nfs/dbraw/zinc/67/37/09/741673709.db2.gz BXBWBJYNGRPLIL-UHFFFAOYSA-N 1 2 340.387 0.492 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CC(n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001105310298 741715739 /nfs/dbraw/zinc/71/57/39/741715739.db2.gz WRZNDLJDUPFSSS-VXGBXAGGSA-N 1 2 334.424 0.227 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[C@H](OC)C3)C2)nn1 ZINC001105314222 741734548 /nfs/dbraw/zinc/73/45/48/741734548.db2.gz OGCCEJDEVHJCCI-CJNGLKHVSA-N 1 2 331.420 0.589 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CC(n2cc(C[NH2+][C@@H](CC)C(N)=O)nn2)C1 ZINC001105318772 741764797 /nfs/dbraw/zinc/76/47/97/741764797.db2.gz OIOJHWSHWGZYOH-YOEHRIQHSA-N 1 2 348.451 0.617 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3Cc4ccncc4C3)C2)nn1 ZINC001105327214 741813062 /nfs/dbraw/zinc/81/30/62/741813062.db2.gz WUAWRUQPEQKRFH-CQSZACIVSA-N 1 2 336.399 0.194 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C3CCOCC3)[C@@H](O)C2)cc1F ZINC001083303822 741894729 /nfs/dbraw/zinc/89/47/29/741894729.db2.gz SOBNLDHVKYPIMN-SJORKVTESA-N 1 2 347.390 0.785 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C3CCOCC3)[C@@H](O)C2)cc1F ZINC001083303822 741894730 /nfs/dbraw/zinc/89/47/30/741894730.db2.gz SOBNLDHVKYPIMN-SJORKVTESA-N 1 2 347.390 0.785 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nncs2)CC1(C)C ZINC000974683015 742010998 /nfs/dbraw/zinc/01/09/98/742010998.db2.gz ARRRWZGGXFLNBI-UONOGXRCSA-N 1 2 347.488 0.962 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nncs2)CC1(C)C ZINC000974683015 742011004 /nfs/dbraw/zinc/01/10/04/742011004.db2.gz ARRRWZGGXFLNBI-UONOGXRCSA-N 1 2 347.488 0.962 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nc(CC)no2)C1 ZINC001026893995 742039231 /nfs/dbraw/zinc/03/92/31/742039231.db2.gz SUBVYIPMIGPVRN-GJZGRUSLSA-N 1 2 345.447 0.668 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nc(CC)no2)C1 ZINC001026893995 742039242 /nfs/dbraw/zinc/03/92/42/742039242.db2.gz SUBVYIPMIGPVRN-GJZGRUSLSA-N 1 2 345.447 0.668 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nccn2C)CC1(C)C ZINC000974698971 742059441 /nfs/dbraw/zinc/05/94/41/742059441.db2.gz IRSSDEVEKXAUGH-JKSUJKDBSA-N 1 2 343.475 0.844 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nccn2C)CC1(C)C ZINC000974698971 742059446 /nfs/dbraw/zinc/05/94/46/742059446.db2.gz IRSSDEVEKXAUGH-JKSUJKDBSA-N 1 2 343.475 0.844 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H](CNc1ccnc(C#N)n1)C(C)(C)C ZINC001125964757 742145495 /nfs/dbraw/zinc/14/54/95/742145495.db2.gz TYXXURZPWZZZNS-CYBMUJFWSA-N 1 2 341.419 0.987 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CN2CCN(C)C(=O)C2)C(C)(C)C1 ZINC000974755724 742150627 /nfs/dbraw/zinc/15/06/27/742150627.db2.gz WJSWOVZGKCEBFD-ZDUSSCGKSA-N 1 2 342.871 0.340 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CN2CCN(C)C(=O)C2)C(C)(C)C1 ZINC000974755724 742150630 /nfs/dbraw/zinc/15/06/30/742150630.db2.gz WJSWOVZGKCEBFD-ZDUSSCGKSA-N 1 2 342.871 0.340 20 30 ECEDLO CC(C)(C)[C@@H](CNc1ccnc(C#N)n1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001125973512 742431293 /nfs/dbraw/zinc/43/12/93/742431293.db2.gz BCUYIHDCIDDGEY-LLVKDONJSA-N 1 2 327.392 0.679 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCS(C)(=O)=O)CC1(C)C ZINC000975068614 742471726 /nfs/dbraw/zinc/47/17/26/742471726.db2.gz XYNFIUGZHMPAFG-RDBSUJKOSA-N 1 2 344.477 0.449 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@H+](CCS(C)(=O)=O)CC1(C)C ZINC000975068614 742471730 /nfs/dbraw/zinc/47/17/30/742471730.db2.gz XYNFIUGZHMPAFG-RDBSUJKOSA-N 1 2 344.477 0.449 20 30 ECEDLO N#Cc1nccnc1N1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH]cc[nH+]1 ZINC001058752106 742817667 /nfs/dbraw/zinc/81/76/67/742817667.db2.gz KJQFOOFIAPIRHS-BETUJISGSA-N 1 2 337.387 0.884 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCc2ccco2)[C@H](OC)C1 ZINC001211845074 743134771 /nfs/dbraw/zinc/13/47/71/743134771.db2.gz PMWFSNWZLSMTCW-FVQBIDKESA-N 1 2 347.415 0.166 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2ccco2)[C@H](OC)C1 ZINC001211845074 743134781 /nfs/dbraw/zinc/13/47/81/743134781.db2.gz PMWFSNWZLSMTCW-FVQBIDKESA-N 1 2 347.415 0.166 20 30 ECEDLO C#CCNC(=O)CC(=O)NCC[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC001125998741 743165037 /nfs/dbraw/zinc/16/50/37/743165037.db2.gz UQJJEIFSYMHIBV-LLVKDONJSA-N 1 2 335.408 0.273 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC000983551553 743429936 /nfs/dbraw/zinc/42/99/36/743429936.db2.gz AYMLXAPAHFKUDI-ZIAGYGMSSA-N 1 2 340.387 0.940 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)OCCC(C)C)C2)nn1 ZINC001105381202 743444746 /nfs/dbraw/zinc/44/47/46/743444746.db2.gz RTPPEBWKCDAGLZ-AWEZNQCLSA-N 1 2 333.436 0.835 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H](n2cc(C[NH2+]CC(=O)N(C)C)nn2)C1 ZINC001098694630 743449748 /nfs/dbraw/zinc/44/97/48/743449748.db2.gz GARKURXEDWWMDX-CQSZACIVSA-N 1 2 348.451 0.442 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3ccncn3)CC2)C1=O ZINC000982271425 751827134 /nfs/dbraw/zinc/82/71/34/751827134.db2.gz PKLZRZXATDSCOY-OAHLLOKOSA-N 1 2 329.404 0.411 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3ccncn3)CC2)C1=O ZINC000982271425 751827141 /nfs/dbraw/zinc/82/71/41/751827141.db2.gz PKLZRZXATDSCOY-OAHLLOKOSA-N 1 2 329.404 0.411 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000998094997 743975396 /nfs/dbraw/zinc/97/53/96/743975396.db2.gz CALLWKYMNDDVMZ-SWLSCSKDSA-N 1 2 334.420 0.116 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000998094997 743975398 /nfs/dbraw/zinc/97/53/98/743975398.db2.gz CALLWKYMNDDVMZ-SWLSCSKDSA-N 1 2 334.420 0.116 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC001020600574 751884353 /nfs/dbraw/zinc/88/43/53/751884353.db2.gz HAMFEJJBZPYTIF-CRWXNKLISA-N 1 2 332.404 0.649 20 30 ECEDLO C#CC[NH2+][C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)CC[C@H]1C(F)(F)F ZINC000998297640 744105397 /nfs/dbraw/zinc/10/53/97/744105397.db2.gz VJHGXVNZHNJSTR-NXEZZACHSA-N 1 2 330.310 0.742 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21 ZINC000976861651 744413444 /nfs/dbraw/zinc/41/34/44/744413444.db2.gz LBFUQMSBPMOAHZ-VIKVFOODSA-N 1 2 338.371 0.049 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H](C)c3cccnc3)C2)nn1 ZINC001105339503 744470585 /nfs/dbraw/zinc/47/05/85/744470585.db2.gz SJYFLKSIONYMCN-AWEZNQCLSA-N 1 2 338.415 0.973 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)[nH]1 ZINC000999354998 744648171 /nfs/dbraw/zinc/64/81/71/744648171.db2.gz KTMWHBNOMFGYLF-LBPRGKRZSA-N 1 2 338.371 0.670 20 30 ECEDLO N#Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)c[nH]1 ZINC000999357942 744650826 /nfs/dbraw/zinc/65/08/26/744650826.db2.gz SVUHWOUNVALESH-CYBMUJFWSA-N 1 2 338.371 0.670 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCC3)CC2(C)C)nn1 ZINC000977249316 744806811 /nfs/dbraw/zinc/80/68/11/744806811.db2.gz GPYWANZCTLFCQJ-CQSZACIVSA-N 1 2 346.435 0.137 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCC3)CC2(C)C)nn1 ZINC000977249316 744806814 /nfs/dbraw/zinc/80/68/14/744806814.db2.gz GPYWANZCTLFCQJ-CQSZACIVSA-N 1 2 346.435 0.137 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2C[N@@H+]([C@H](C)C(N)=O)CC2(C)C)nn1 ZINC000977287332 744843793 /nfs/dbraw/zinc/84/37/93/744843793.db2.gz SIZZYWWNLQZSJU-YPMHNXCESA-N 1 2 334.424 0.168 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2C[N@H+]([C@H](C)C(N)=O)CC2(C)C)nn1 ZINC000977287332 744843795 /nfs/dbraw/zinc/84/37/95/744843795.db2.gz SIZZYWWNLQZSJU-YPMHNXCESA-N 1 2 334.424 0.168 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001006896422 751953978 /nfs/dbraw/zinc/95/39/78/751953978.db2.gz ISOLHSZKIWCFCD-CFVMTHIKSA-N 1 2 346.431 0.897 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001006897842 751955469 /nfs/dbraw/zinc/95/54/69/751955469.db2.gz PZJRMPKOMNOOAZ-MAZHCROVSA-N 1 2 346.431 0.517 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1C[N@@H+](CC(=O)NC)CC1(C)C ZINC000977437787 744967720 /nfs/dbraw/zinc/96/77/20/744967720.db2.gz FYUZBFWPJROOST-CQSZACIVSA-N 1 2 346.431 0.833 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1C[N@H+](CC(=O)NC)CC1(C)C ZINC000977437787 744967725 /nfs/dbraw/zinc/96/77/25/744967725.db2.gz FYUZBFWPJROOST-CQSZACIVSA-N 1 2 346.431 0.833 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(C(C)C)c3)C2)nn1 ZINC001105360556 751970329 /nfs/dbraw/zinc/97/03/29/751970329.db2.gz ARIWXPHIFYKVIL-UHFFFAOYSA-N 1 2 341.419 0.866 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)CC1(C)C ZINC000977512444 745131981 /nfs/dbraw/zinc/13/19/81/745131981.db2.gz JUEPRMCCAXGPEO-TZMCWYRMSA-N 1 2 344.415 0.408 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)CC1(C)C ZINC000977512444 745131984 /nfs/dbraw/zinc/13/19/84/745131984.db2.gz JUEPRMCCAXGPEO-TZMCWYRMSA-N 1 2 344.415 0.408 20 30 ECEDLO C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3[nH]ncc3F)nn2)C1 ZINC001000015731 745185303 /nfs/dbraw/zinc/18/53/03/745185303.db2.gz PEKZWIJGIRPNNN-GFCCVEGCSA-N 1 2 333.371 0.893 20 30 ECEDLO C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3[nH]ncc3F)nn2)C1 ZINC001000015731 745185306 /nfs/dbraw/zinc/18/53/06/745185306.db2.gz PEKZWIJGIRPNNN-GFCCVEGCSA-N 1 2 333.371 0.893 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001000033657 745207632 /nfs/dbraw/zinc/20/76/32/745207632.db2.gz PWFFMMRPBPAUGZ-NFAWXSAZSA-N 1 2 344.415 0.748 20 30 ECEDLO CN(C[C@H]1CCN1C(=O)CCc1[nH]cc[nH+]1)C(=O)c1ccc(C#N)[nH]1 ZINC000977592589 745224468 /nfs/dbraw/zinc/22/44/68/745224468.db2.gz NBHANVDPYFCDTH-CYBMUJFWSA-N 1 2 340.387 0.915 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001098697602 745233515 /nfs/dbraw/zinc/23/35/15/745233515.db2.gz JLKHKGUCOBFKIV-GXTWGEPZSA-N 1 2 348.451 0.617 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(NC(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001000265338 745396736 /nfs/dbraw/zinc/39/67/36/745396736.db2.gz GAFSIRZPDZOWFU-ZDUSSCGKSA-N 1 2 334.420 0.118 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@H]([NH2+]Cc3csnn3)C2)nn1 ZINC001000400899 745476949 /nfs/dbraw/zinc/47/69/49/745476949.db2.gz ADUVCTDHGFMEMA-NSHDSACASA-N 1 2 333.421 0.710 20 30 ECEDLO Cc1nc(C)c(C[N@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)o1 ZINC001083414192 745532547 /nfs/dbraw/zinc/53/25/47/745532547.db2.gz QBZBGGGRLBZWCZ-KGLIPLIRSA-N 1 2 329.360 0.466 20 30 ECEDLO Cc1nc(C)c(C[N@@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)o1 ZINC001083414192 745532549 /nfs/dbraw/zinc/53/25/49/745532549.db2.gz QBZBGGGRLBZWCZ-KGLIPLIRSA-N 1 2 329.360 0.466 20 30 ECEDLO Cn1cnnc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC000978025334 745790673 /nfs/dbraw/zinc/79/06/73/745790673.db2.gz YADJRUUUCJYQDH-XYYAHUGASA-N 1 2 325.376 0.123 20 30 ECEDLO Cn1cnnc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC000978025334 745790674 /nfs/dbraw/zinc/79/06/74/745790674.db2.gz YADJRUUUCJYQDH-XYYAHUGASA-N 1 2 325.376 0.123 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2C(=O)Cc2c[nH+]c[nH]2)nc1 ZINC000978109430 745917366 /nfs/dbraw/zinc/91/73/66/745917366.db2.gz SJRRRTBWHOKMDI-HNNXBMFYSA-N 1 2 337.383 0.702 20 30 ECEDLO C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O)n1cncn1 ZINC001083416684 745966376 /nfs/dbraw/zinc/96/63/76/745966376.db2.gz QWYGGPZKHMVOSE-HONMWMINSA-N 1 2 346.416 0.134 20 30 ECEDLO C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O)n1cncn1 ZINC001083416684 745966377 /nfs/dbraw/zinc/96/63/77/745966377.db2.gz QWYGGPZKHMVOSE-HONMWMINSA-N 1 2 346.416 0.134 20 30 ECEDLO N#Cc1nccc(N[C@H]2C[C@H](NC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)n1 ZINC001059331185 745970578 /nfs/dbraw/zinc/97/05/78/745970578.db2.gz HRERCGRYZYVVLT-AVGNSLFASA-N 1 2 337.387 0.288 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCSCC)[C@H](OC)C1 ZINC001211942641 752063763 /nfs/dbraw/zinc/06/37/63/752063763.db2.gz SWMLCDVYBGPYMS-MGPQQGTHSA-N 1 2 341.477 0.083 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCSCC)[C@H](OC)C1 ZINC001211942641 752063767 /nfs/dbraw/zinc/06/37/67/752063767.db2.gz SWMLCDVYBGPYMS-MGPQQGTHSA-N 1 2 341.477 0.083 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cc1c[nH+]cn1C ZINC000978421426 746321155 /nfs/dbraw/zinc/32/11/55/746321155.db2.gz PDHUSRHXPQTPSO-IMJJTQAJSA-N 1 2 346.431 0.613 20 30 ECEDLO C[C@H](c1cnccn1)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001083418056 746443660 /nfs/dbraw/zinc/44/36/60/746443660.db2.gz PMVAPUDHMGBEQN-KMUNFCNLSA-N 1 2 326.360 0.212 20 30 ECEDLO C[C@H](c1cnccn1)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001083418056 746443664 /nfs/dbraw/zinc/44/36/64/746443664.db2.gz PMVAPUDHMGBEQN-KMUNFCNLSA-N 1 2 326.360 0.212 20 30 ECEDLO COCCN(CCNC(=O)CCc1c[nH]c[nH+]1)c1ccncc1C#N ZINC001126561548 746718120 /nfs/dbraw/zinc/71/81/20/746718120.db2.gz KACQENURNBFLHF-UHFFFAOYSA-N 1 2 342.403 0.878 20 30 ECEDLO COCCN(CCNC(=O)CCc1c[nH+]c[nH]1)c1ccncc1C#N ZINC001126561548 746718125 /nfs/dbraw/zinc/71/81/25/746718125.db2.gz KACQENURNBFLHF-UHFFFAOYSA-N 1 2 342.403 0.878 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@H](n3cc(C[NH2+]CC(=O)NC)nn3)C2)C1 ZINC001098716078 747178527 /nfs/dbraw/zinc/17/85/27/747178527.db2.gz PGSTYTNBTCIHRU-CQSZACIVSA-N 1 2 346.435 0.243 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cncnc3)C2)C1=O ZINC001007177071 752160279 /nfs/dbraw/zinc/16/02/79/752160279.db2.gz JVTGLEPKJKQVLN-CABCVRRESA-N 1 2 329.404 0.458 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cncnc3)C2)C1=O ZINC001007177071 752160280 /nfs/dbraw/zinc/16/02/80/752160280.db2.gz JVTGLEPKJKQVLN-CABCVRRESA-N 1 2 329.404 0.458 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](OC)C(C)C)C2)nn1 ZINC001098723508 747764446 /nfs/dbraw/zinc/76/44/46/747764446.db2.gz YBQCYUQKAQRLEF-HOTGVXAUSA-N 1 2 333.436 0.835 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001027791726 747766108 /nfs/dbraw/zinc/76/61/08/747766108.db2.gz BFVVVGOGOTUUDA-WDEREUQCSA-N 1 2 330.226 0.754 20 30 ECEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001027791726 747766112 /nfs/dbraw/zinc/76/61/12/747766112.db2.gz BFVVVGOGOTUUDA-WDEREUQCSA-N 1 2 330.226 0.754 20 30 ECEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2cn(CCOC)nn2)CC1 ZINC001002786101 747784943 /nfs/dbraw/zinc/78/49/43/747784943.db2.gz YMNPKQHILNWGLD-UHFFFAOYSA-N 1 2 327.816 0.871 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)CCN(C)c1[nH+]cnc2c1cnn2C ZINC001105468898 752214173 /nfs/dbraw/zinc/21/41/73/752214173.db2.gz GPWGQGVGXLZDKA-LBPRGKRZSA-N 1 2 330.392 0.296 20 30 ECEDLO C=CCn1cccc1C(=O)NC1CC[NH+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC001003030232 748093437 /nfs/dbraw/zinc/09/34/37/748093437.db2.gz KPQIUHXZOJUZHT-UHFFFAOYSA-N 1 2 344.419 0.490 20 30 ECEDLO Cn1nnnc1C[N@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001029710795 748119771 /nfs/dbraw/zinc/11/97/71/748119771.db2.gz YAAFDLCKPZMECW-NSHDSACASA-N 1 2 328.380 0.004 20 30 ECEDLO Cn1nnnc1C[N@@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001029710795 748119772 /nfs/dbraw/zinc/11/97/72/748119772.db2.gz YAAFDLCKPZMECW-NSHDSACASA-N 1 2 328.380 0.004 20 30 ECEDLO C[N@@H+](Cc1ncnn1CCF)C[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001029733515 748176445 /nfs/dbraw/zinc/17/64/45/748176445.db2.gz LKKNKQLHMDWKLJ-OAHLLOKOSA-N 1 2 333.411 0.941 20 30 ECEDLO C[N@H+](Cc1ncnn1CCF)C[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001029733515 748176447 /nfs/dbraw/zinc/17/64/47/748176447.db2.gz LKKNKQLHMDWKLJ-OAHLLOKOSA-N 1 2 333.411 0.941 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)Cc2ncccn2)CC1 ZINC000985475142 748216060 /nfs/dbraw/zinc/21/60/60/748216060.db2.gz KGGLBUZQVNMWLV-KRWDZBQOSA-N 1 2 341.459 0.997 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)Cc2ncccn2)CC1 ZINC000985475142 748216066 /nfs/dbraw/zinc/21/60/66/748216066.db2.gz KGGLBUZQVNMWLV-KRWDZBQOSA-N 1 2 341.459 0.997 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)Cc2ncccn2)CC1 ZINC000985475142 748216070 /nfs/dbraw/zinc/21/60/70/748216070.db2.gz KGGLBUZQVNMWLV-KRWDZBQOSA-N 1 2 341.459 0.997 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2cn(C)nn2)C1 ZINC001029758156 748271095 /nfs/dbraw/zinc/27/10/95/748271095.db2.gz SMUPSCWUJDZJPU-RDJZCZTQSA-N 1 2 344.463 0.193 20 30 ECEDLO Cn1nnc(C[NH2+][C@H]2CCCCCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001088299254 748560038 /nfs/dbraw/zinc/56/00/38/748560038.db2.gz IFKDNLFPNAOBGG-ZDUSSCGKSA-N 1 2 342.407 0.584 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCC(NC(=O)C3=NC(=O)N(C)C3)CC2)C1=O ZINC001003560861 748680813 /nfs/dbraw/zinc/68/08/13/748680813.db2.gz ZODFBHXJVCOCBO-AWEZNQCLSA-N 1 2 347.419 0.107 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@H](O)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001105806187 761942336 /nfs/dbraw/zinc/94/23/36/761942336.db2.gz RLZCKSBZIRHGFZ-UGSOOPFHSA-N 1 2 348.447 0.880 20 30 ECEDLO C#CCC[NH2+]Cc1cn(C2CN(C(=O)c3cccc4[nH]cnc43)C2)nn1 ZINC001105346344 749476104 /nfs/dbraw/zinc/47/61/04/749476104.db2.gz ZPTDZYSRHZIGHI-UHFFFAOYSA-N 1 2 349.398 0.964 20 30 ECEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCNC2=O)CC1 ZINC001004477846 749548074 /nfs/dbraw/zinc/54/80/74/749548074.db2.gz UMJDNZFMUMEJAN-HNNXBMFYSA-N 1 2 333.436 0.628 20 30 ECEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCNC2=O)CC1 ZINC001004477846 749548081 /nfs/dbraw/zinc/54/80/81/749548081.db2.gz UMJDNZFMUMEJAN-HNNXBMFYSA-N 1 2 333.436 0.628 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001004533127 749602207 /nfs/dbraw/zinc/60/22/07/749602207.db2.gz HNCSZNXNGMEWKK-WQVCFCJDSA-N 1 2 346.431 0.754 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001004533127 749602215 /nfs/dbraw/zinc/60/22/15/749602215.db2.gz HNCSZNXNGMEWKK-WQVCFCJDSA-N 1 2 346.431 0.754 20 30 ECEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC(=O)NC2=O)CC1 ZINC001004599407 749670841 /nfs/dbraw/zinc/67/08/41/749670841.db2.gz AWUTYDDSHKHBQH-AWEZNQCLSA-N 1 2 347.419 0.155 20 30 ECEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC(=O)NC2=O)CC1 ZINC001004599407 749670844 /nfs/dbraw/zinc/67/08/44/749670844.db2.gz AWUTYDDSHKHBQH-AWEZNQCLSA-N 1 2 347.419 0.155 20 30 ECEDLO C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001004666804 749742693 /nfs/dbraw/zinc/74/26/93/749742693.db2.gz AZURQIXGFZGQCJ-FZMZJTMJSA-N 1 2 340.387 0.819 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cc[nH+]c2)nc1 ZINC001004744396 749809021 /nfs/dbraw/zinc/80/90/21/749809021.db2.gz KJYAJGWPVDHRCL-OIISXLGYSA-N 1 2 349.394 0.821 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3cccc(F)c3)[C@@H](O)C2)C1=O ZINC001083318352 749859582 /nfs/dbraw/zinc/85/95/82/749859582.db2.gz OCFGKINGMVIDGW-PMPSAXMXSA-N 1 2 347.390 0.388 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3cccc(F)c3)[C@@H](O)C2)C1=O ZINC001083318352 749859587 /nfs/dbraw/zinc/85/95/87/749859587.db2.gz OCFGKINGMVIDGW-PMPSAXMXSA-N 1 2 347.390 0.388 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3cnsn3)CC2)C1=O ZINC000980762232 750111418 /nfs/dbraw/zinc/11/14/18/750111418.db2.gz JRFFFIRVOCJKMI-CYBMUJFWSA-N 1 2 335.433 0.473 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3cnsn3)CC2)C1=O ZINC000980762232 750111425 /nfs/dbraw/zinc/11/14/25/750111425.db2.gz JRFFFIRVOCJKMI-CYBMUJFWSA-N 1 2 335.433 0.473 20 30 ECEDLO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000980917563 750352567 /nfs/dbraw/zinc/35/25/67/750352567.db2.gz QARPXLPFMZKPPO-LBPRGKRZSA-N 1 2 329.404 0.701 20 30 ECEDLO C[C@@H](C(=O)NC1CC1)[N@H+]1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000980917563 750352576 /nfs/dbraw/zinc/35/25/76/750352576.db2.gz QARPXLPFMZKPPO-LBPRGKRZSA-N 1 2 329.404 0.701 20 30 ECEDLO C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001005203899 750369769 /nfs/dbraw/zinc/36/97/69/750369769.db2.gz IRBOAHYUGUDGKK-SMDDNHRTSA-N 1 2 340.387 0.819 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C3(CC)CCOCC3)C2)nn1 ZINC001105351917 750466003 /nfs/dbraw/zinc/46/60/03/750466003.db2.gz MRFDCYNDQOBIOF-UHFFFAOYSA-N 1 2 345.447 0.981 20 30 ECEDLO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001005867935 750746865 /nfs/dbraw/zinc/74/68/65/750746865.db2.gz YTNBBWJMCSPCFV-SNVBAGLBSA-N 1 2 326.360 0.429 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H]([NH2+]Cc2nnn(C)n2)[C@H]1C ZINC000987417556 750795526 /nfs/dbraw/zinc/79/55/26/750795526.db2.gz UCLYJKXYAIMDHF-CZUORRHYSA-N 1 2 338.415 0.513 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001028108999 750893486 /nfs/dbraw/zinc/89/34/86/750893486.db2.gz BVTIDKCNNWIYEP-CABCVRRESA-N 1 2 345.378 0.459 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001028108999 750893496 /nfs/dbraw/zinc/89/34/96/750893496.db2.gz BVTIDKCNNWIYEP-CABCVRRESA-N 1 2 345.378 0.459 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCO[C@@H](CC)C3)C2)nn1 ZINC001105357674 750958067 /nfs/dbraw/zinc/95/80/67/750958067.db2.gz JLBZNDIOKWNLRU-BBRMVZONSA-N 1 2 331.420 0.589 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC2(CN(C(=O)CC(N)=O)C2)C1 ZINC000981679278 750963011 /nfs/dbraw/zinc/96/30/11/750963011.db2.gz LWBHXUPTPCZYAT-UHFFFAOYSA-N 1 2 344.390 0.997 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC2(CN(C(=O)CC(N)=O)C2)C1 ZINC000981679278 750963016 /nfs/dbraw/zinc/96/30/16/750963016.db2.gz LWBHXUPTPCZYAT-UHFFFAOYSA-N 1 2 344.390 0.997 20 30 ECEDLO C=C(Br)C[N@H+]1CCCC2(CN(C(=O)CC(N)=O)C2)C1 ZINC000981678753 750963193 /nfs/dbraw/zinc/96/31/93/750963193.db2.gz DPFMSYNSZWVRAZ-UHFFFAOYSA-N 1 2 330.226 0.695 20 30 ECEDLO C=C(Br)C[N@@H+]1CCCC2(CN(C(=O)CC(N)=O)C2)C1 ZINC000981678753 750963196 /nfs/dbraw/zinc/96/31/96/750963196.db2.gz DPFMSYNSZWVRAZ-UHFFFAOYSA-N 1 2 330.226 0.695 20 30 ECEDLO Cn1cc(C[N@@H+]2CCCC3(CN(C(=O)c4ccc(C#N)[nH]4)C3)C2)nn1 ZINC000981722084 751014630 /nfs/dbraw/zinc/01/46/30/751014630.db2.gz KHBQZMGSKRBHJK-UHFFFAOYSA-N 1 2 339.403 0.753 20 30 ECEDLO Cn1cc(C[N@H+]2CCCC3(CN(C(=O)c4ccc(C#N)[nH]4)C3)C2)nn1 ZINC000981722084 751014639 /nfs/dbraw/zinc/01/46/39/751014639.db2.gz KHBQZMGSKRBHJK-UHFFFAOYSA-N 1 2 339.403 0.753 20 30 ECEDLO CC#CC[NH+]1CCC(N(C)C(=O)[C@@]2(C)CCCS2(=O)=O)CC1 ZINC001006118232 751036944 /nfs/dbraw/zinc/03/69/44/751036944.db2.gz HVHUYUUYCZXVSG-MRXNPFEDSA-N 1 2 326.462 0.900 20 30 ECEDLO O=C([C@H]1CCNC1=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000981746857 751066335 /nfs/dbraw/zinc/06/63/35/751066335.db2.gz PERCNTBLJNOEJN-KRWDZBQOSA-N 1 2 343.402 0.848 20 30 ECEDLO O=C([C@H]1CCNC1=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000981746857 751066341 /nfs/dbraw/zinc/06/63/41/751066341.db2.gz PERCNTBLJNOEJN-KRWDZBQOSA-N 1 2 343.402 0.848 20 30 ECEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)[C@H]3CCNC3=O)CC2)ccc1F ZINC000981747349 751067924 /nfs/dbraw/zinc/06/79/24/751067924.db2.gz XJAKHNGVMRGZRE-HNNXBMFYSA-N 1 2 344.390 0.868 20 30 ECEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)[C@H]3CCNC3=O)CC2)ccc1F ZINC000981747349 751067932 /nfs/dbraw/zinc/06/79/32/751067932.db2.gz XJAKHNGVMRGZRE-HNNXBMFYSA-N 1 2 344.390 0.868 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001028128461 751143101 /nfs/dbraw/zinc/14/31/01/751143101.db2.gz FMGABHNVCIFBBV-SECBINFHSA-N 1 2 347.828 0.004 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]nc1S(N)(=O)=O ZINC001028128461 751143103 /nfs/dbraw/zinc/14/31/03/751143103.db2.gz FMGABHNVCIFBBV-SECBINFHSA-N 1 2 347.828 0.004 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1CC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001059830680 751166712 /nfs/dbraw/zinc/16/67/12/751166712.db2.gz HJEGISIHZLSVGH-UONOGXRCSA-N 1 2 334.420 0.898 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CNC(=O)N3)CC2)cc1F ZINC000981850704 751198227 /nfs/dbraw/zinc/19/82/27/751198227.db2.gz QTINRYLLYJFJPD-HNNXBMFYSA-N 1 2 345.378 0.413 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CNC(=O)N3)CC2)cc1F ZINC000981850704 751198231 /nfs/dbraw/zinc/19/82/31/751198231.db2.gz QTINRYLLYJFJPD-HNNXBMFYSA-N 1 2 345.378 0.413 20 30 ECEDLO C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CN(C(=O)C#CC2CC2)C1 ZINC001006313995 751233412 /nfs/dbraw/zinc/23/34/12/751233412.db2.gz VOUJHWVVXYOXQP-DZGCQCFKSA-N 1 2 340.427 0.822 20 30 ECEDLO C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CN(C(=O)C#CC2CC2)C1 ZINC001006323197 751245023 /nfs/dbraw/zinc/24/50/23/751245023.db2.gz ZYFSGIQXQXUGOF-DZGCQCFKSA-N 1 2 340.427 0.822 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CCC[N@H+](CC(=O)N2CCOCC2)CC1 ZINC000981887949 751249530 /nfs/dbraw/zinc/24/95/30/751249530.db2.gz VFPOWAQCNIRDBY-GOSISDBHSA-N 1 2 337.464 0.982 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CCC[N@@H+](CC(=O)N2CCOCC2)CC1 ZINC000981887949 751249537 /nfs/dbraw/zinc/24/95/37/751249537.db2.gz VFPOWAQCNIRDBY-GOSISDBHSA-N 1 2 337.464 0.982 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC[N@@H+]([C@H]3CCN(C)C3=O)CC2)c1 ZINC000981923502 751270753 /nfs/dbraw/zinc/27/07/53/751270753.db2.gz UUCFUGWMYOEFIH-INIZCTEOSA-N 1 2 326.400 0.442 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC[N@H+]([C@H]3CCN(C)C3=O)CC2)c1 ZINC000981923502 751270755 /nfs/dbraw/zinc/27/07/55/751270755.db2.gz UUCFUGWMYOEFIH-INIZCTEOSA-N 1 2 326.400 0.442 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001212036110 752426035 /nfs/dbraw/zinc/42/60/35/752426035.db2.gz JNHPWPREXBVXEP-RBSFLKMASA-N 1 2 341.452 0.165 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001212036110 752426041 /nfs/dbraw/zinc/42/60/41/752426041.db2.gz JNHPWPREXBVXEP-RBSFLKMASA-N 1 2 341.452 0.165 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)C)C2)nn1 ZINC001105365550 752438277 /nfs/dbraw/zinc/43/82/77/752438277.db2.gz ZZTCCCNDKSUABH-LBPRGKRZSA-N 1 2 348.451 0.488 20 30 ECEDLO COCCN(CCNC(=O)Cn1cc[nH+]c1)c1nc(C)ccc1C#N ZINC001126361135 752441323 /nfs/dbraw/zinc/44/13/23/752441323.db2.gz SDSVZOYLEAZMNC-UHFFFAOYSA-N 1 2 342.403 0.727 20 30 ECEDLO C=CCC(CC=C)C(=O)N1CC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098678281 752510784 /nfs/dbraw/zinc/51/07/84/752510784.db2.gz GFDMAMHRGKMFRK-HNNXBMFYSA-N 1 2 346.435 0.395 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)[nH]n2)C1 ZINC000982501338 752570776 /nfs/dbraw/zinc/57/07/76/752570776.db2.gz IGFQSRMORXMINS-HOCLYGCPSA-N 1 2 343.431 0.394 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cc(C)[nH]n2)C1 ZINC000982501338 752570782 /nfs/dbraw/zinc/57/07/82/752570782.db2.gz IGFQSRMORXMINS-HOCLYGCPSA-N 1 2 343.431 0.394 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000937853596 752574519 /nfs/dbraw/zinc/57/45/19/752574519.db2.gz QNNFPRGVRIEFRA-LBPRGKRZSA-N 1 2 326.360 0.491 20 30 ECEDLO CO[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)CNC(C)=O ZINC001211774435 752687528 /nfs/dbraw/zinc/68/75/28/752687528.db2.gz XPQWLJNFCUPNPI-ZIAGYGMSSA-N 1 2 336.417 0.071 20 30 ECEDLO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)CNC(C)=O ZINC001211774435 752687533 /nfs/dbraw/zinc/68/75/33/752687533.db2.gz XPQWLJNFCUPNPI-ZIAGYGMSSA-N 1 2 336.417 0.071 20 30 ECEDLO C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1OC ZINC001212092599 752713267 /nfs/dbraw/zinc/71/32/67/752713267.db2.gz IQYSNSYAFVISQQ-HUUCEWRRSA-N 1 2 341.452 0.309 20 30 ECEDLO C=CCOCCCC(=O)N[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1OC ZINC001212092599 752713272 /nfs/dbraw/zinc/71/32/72/752713272.db2.gz IQYSNSYAFVISQQ-HUUCEWRRSA-N 1 2 341.452 0.309 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)cn1 ZINC000988774643 752752879 /nfs/dbraw/zinc/75/28/79/752752879.db2.gz GTYNVZPKSVFIRY-CJNGLKHVSA-N 1 2 337.383 0.679 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)nn1 ZINC000988774957 752760053 /nfs/dbraw/zinc/76/00/53/752760053.db2.gz SLOGHRXMFITWMO-OLZOCXBDSA-N 1 2 343.391 0.080 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@]2(C1)CN(C(=O)CCc1c[nH]c[nH+]1)CCO2 ZINC001007720150 752856911 /nfs/dbraw/zinc/85/69/11/752856911.db2.gz WOSHHVZPZOXKEE-SUMWQHHRSA-N 1 2 345.403 0.332 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@]2(C1)CN(C(=O)CCc1c[nH+]c[nH]1)CCO2 ZINC001007720150 752856915 /nfs/dbraw/zinc/85/69/15/752856915.db2.gz WOSHHVZPZOXKEE-SUMWQHHRSA-N 1 2 345.403 0.332 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C(=O)C(C)(C)C)C1 ZINC000982547588 752861995 /nfs/dbraw/zinc/86/19/95/752861995.db2.gz LLUOORKURJFMSN-CABCVRRESA-N 1 2 347.459 0.664 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C(=O)C(C)(C)C)C1 ZINC000982547588 752861999 /nfs/dbraw/zinc/86/19/99/752861999.db2.gz LLUOORKURJFMSN-CABCVRRESA-N 1 2 347.459 0.664 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC000982575983 752952190 /nfs/dbraw/zinc/95/21/90/752952190.db2.gz SHVSLYPIDXAYQD-ZBFHGGJFSA-N 1 2 343.431 0.015 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC000982575983 752952194 /nfs/dbraw/zinc/95/21/94/752952194.db2.gz SHVSLYPIDXAYQD-ZBFHGGJFSA-N 1 2 343.431 0.015 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000938090574 753035549 /nfs/dbraw/zinc/03/55/49/753035549.db2.gz DHEWCMUQLCCTLW-OCCSQVGLSA-N 1 2 346.456 0.983 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000938090574 753035555 /nfs/dbraw/zinc/03/55/55/753035555.db2.gz DHEWCMUQLCCTLW-OCCSQVGLSA-N 1 2 346.456 0.983 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2noc(-c3ccoc3)n2)C1 ZINC001051488205 762184871 /nfs/dbraw/zinc/18/48/71/762184871.db2.gz IPMZYVKZUKSGBM-DGCLKSJQSA-N 1 2 345.359 0.806 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2nc(C3CCC3)no2)C1 ZINC001051495173 762207491 /nfs/dbraw/zinc/20/74/91/762207491.db2.gz RMVDJNGZFBNZGC-AAEUAGOBSA-N 1 2 333.392 0.814 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](NC(=O)C=C2CCC2)[C@H](OC)C1 ZINC001212104269 753358089 /nfs/dbraw/zinc/35/80/89/753358089.db2.gz JVNHFCYFKJVWHS-HZPDHXFCSA-N 1 2 348.447 0.674 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](NC(=O)C=C2CCC2)[C@H](OC)C1 ZINC001212104269 753358092 /nfs/dbraw/zinc/35/80/92/753358092.db2.gz JVNHFCYFKJVWHS-HZPDHXFCSA-N 1 2 348.447 0.674 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3c(C)noc3C)C2)nn1 ZINC001105370960 753394990 /nfs/dbraw/zinc/39/49/90/753394990.db2.gz CKRLBZXVAOMEMU-UHFFFAOYSA-N 1 2 342.403 0.622 20 30 ECEDLO CN1C[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)NC1=O ZINC001008189297 753446270 /nfs/dbraw/zinc/44/62/70/753446270.db2.gz NCTPZJMZRKHXJO-CVEARBPZSA-N 1 2 341.415 0.662 20 30 ECEDLO CN1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)NC1=O ZINC001008189297 753446274 /nfs/dbraw/zinc/44/62/74/753446274.db2.gz NCTPZJMZRKHXJO-CVEARBPZSA-N 1 2 341.415 0.662 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000982738673 753448917 /nfs/dbraw/zinc/44/89/17/753448917.db2.gz GNCPBYVMPFNRPV-BZUAXINKSA-N 1 2 340.427 0.902 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)noc3CC)C2)nn1 ZINC001105371198 753468316 /nfs/dbraw/zinc/46/83/16/753468316.db2.gz IMCGLIXIAMTUGN-UHFFFAOYSA-N 1 2 328.376 0.557 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCSC)[C@H](OC)C1 ZINC001211831439 753474235 /nfs/dbraw/zinc/47/42/35/753474235.db2.gz XUCZGNILKXUDHC-YNEHKIRRSA-N 1 2 329.466 0.246 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCSC)[C@H](OC)C1 ZINC001211831439 753474238 /nfs/dbraw/zinc/47/42/38/753474238.db2.gz XUCZGNILKXUDHC-YNEHKIRRSA-N 1 2 329.466 0.246 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3(CCOC)CC3)C2)nn1 ZINC001098681193 753614203 /nfs/dbraw/zinc/61/42/03/753614203.db2.gz PDGHWFYTTXISHS-OAHLLOKOSA-N 1 2 331.420 0.591 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ccnn3CCC)C2)nn1 ZINC001098681288 753621006 /nfs/dbraw/zinc/62/10/06/753621006.db2.gz QODSBQNABPZDFL-HNNXBMFYSA-N 1 2 341.419 0.695 20 30 ECEDLO C[C@@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)n1cccn1 ZINC001083350732 753641978 /nfs/dbraw/zinc/64/19/78/753641978.db2.gz ZKAMDSIVNUUBCM-JQHSSLGASA-N 1 2 338.411 0.657 20 30 ECEDLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)n1cccn1 ZINC001083350732 753641982 /nfs/dbraw/zinc/64/19/82/753641982.db2.gz ZKAMDSIVNUUBCM-JQHSSLGASA-N 1 2 338.411 0.657 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3conc3C)C2)C1=O ZINC001008393032 753691259 /nfs/dbraw/zinc/69/12/59/753691259.db2.gz HVBMNNGAQBLACD-ZFWWWQNUSA-N 1 2 332.404 0.964 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3conc3C)C2)C1=O ZINC001008393032 753691263 /nfs/dbraw/zinc/69/12/63/753691263.db2.gz HVBMNNGAQBLACD-ZFWWWQNUSA-N 1 2 332.404 0.964 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C3CCCCCC3)[C@@H](O)C2)C1=O ZINC001083367808 753698297 /nfs/dbraw/zinc/69/82/97/753698297.db2.gz TWUNWJMQZDDUPC-IKGGRYGDSA-N 1 2 349.475 0.905 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C3CCCCCC3)[C@@H](O)C2)C1=O ZINC001083367808 753698301 /nfs/dbraw/zinc/69/83/01/753698301.db2.gz TWUNWJMQZDDUPC-IKGGRYGDSA-N 1 2 349.475 0.905 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O)[C@@H]1CCCOC1 ZINC001083367823 753698570 /nfs/dbraw/zinc/69/85/70/753698570.db2.gz UFSQTDIRDXRCBZ-NXHRZFHOSA-N 1 2 346.402 0.765 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O)[C@@H]1CCCOC1 ZINC001083367823 753698576 /nfs/dbraw/zinc/69/85/76/753698576.db2.gz UFSQTDIRDXRCBZ-NXHRZFHOSA-N 1 2 346.402 0.765 20 30 ECEDLO CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001105489537 753732254 /nfs/dbraw/zinc/73/22/54/753732254.db2.gz CWWUGWVRVWQWSP-ZDUSSCGKSA-N 1 2 339.403 0.702 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@H](CCNC(=O)C#CC2CC2)C1 ZINC001059972026 753733753 /nfs/dbraw/zinc/73/37/53/753733753.db2.gz IHBLHOFEFKQHBQ-HNNXBMFYSA-N 1 2 328.416 0.731 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)Cc3cc[nH]n3)[C@@H](O)C2)cc1F ZINC001083381440 753743664 /nfs/dbraw/zinc/74/36/64/753743664.db2.gz KKRRVPTXRAXRMJ-CVEARBPZSA-N 1 2 343.362 0.324 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)Cc3cc[nH]n3)[C@@H](O)C2)cc1F ZINC001083381440 753743670 /nfs/dbraw/zinc/74/36/70/753743670.db2.gz KKRRVPTXRAXRMJ-CVEARBPZSA-N 1 2 343.362 0.324 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3ccnnc3)C2)C1=O ZINC001008640945 753981928 /nfs/dbraw/zinc/98/19/28/753981928.db2.gz MMWHHSCTIAZKMO-CABCVRRESA-N 1 2 329.404 0.458 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3ccnnc3)C2)C1=O ZINC001008640945 753981934 /nfs/dbraw/zinc/98/19/34/753981934.db2.gz MMWHHSCTIAZKMO-CABCVRRESA-N 1 2 329.404 0.458 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)OCCOCC)C2)nn1 ZINC001105376749 754049892 /nfs/dbraw/zinc/04/98/92/754049892.db2.gz FCSSHHSZAWKMJM-CQSZACIVSA-N 1 2 349.435 0.216 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+](CC(=O)N(C)C3CC3)CC2)nc1 ZINC000989505498 754056123 /nfs/dbraw/zinc/05/61/23/754056123.db2.gz OKVPYWYIVBYONP-UHFFFAOYSA-N 1 2 340.427 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@H+](CC(=O)N(C)C3CC3)CC2)nc1 ZINC000989505498 754056129 /nfs/dbraw/zinc/05/61/29/754056129.db2.gz OKVPYWYIVBYONP-UHFFFAOYSA-N 1 2 340.427 0.832 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3nnc(C)o3)C[C@H]2C)nn1 ZINC000989535567 754079193 /nfs/dbraw/zinc/07/91/93/754079193.db2.gz CAHVWNBNJJRIHC-PWSUYJOCSA-N 1 2 331.380 0.548 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)c[nH]1 ZINC000982892955 754104452 /nfs/dbraw/zinc/10/44/52/754104452.db2.gz IHLWQZNEADOLOX-GFCCVEGCSA-N 1 2 340.387 0.821 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)c[nH]1 ZINC000982892955 754104455 /nfs/dbraw/zinc/10/44/55/754104455.db2.gz IHLWQZNEADOLOX-GFCCVEGCSA-N 1 2 340.387 0.821 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cnc(C)nc3)C2)nn1 ZINC001008794548 754125696 /nfs/dbraw/zinc/12/56/96/754125696.db2.gz NMBZZOGNQWGJTN-OAHLLOKOSA-N 1 2 341.419 0.957 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cnc(C)nc3)C2)nn1 ZINC001008794548 754125702 /nfs/dbraw/zinc/12/57/02/754125702.db2.gz NMBZZOGNQWGJTN-OAHLLOKOSA-N 1 2 341.419 0.957 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N(C)C)C2)nn1 ZINC001008815857 754149699 /nfs/dbraw/zinc/14/96/99/754149699.db2.gz RUPYHEMLFJWBFB-ZDUSSCGKSA-N 1 2 334.424 0.137 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N(C)C)C2)nn1 ZINC001008815857 754149702 /nfs/dbraw/zinc/14/97/02/754149702.db2.gz RUPYHEMLFJWBFB-ZDUSSCGKSA-N 1 2 334.424 0.137 20 30 ECEDLO Cc1noc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)n1 ZINC001051523430 762273491 /nfs/dbraw/zinc/27/34/91/762273491.db2.gz DIUBHULYUDXORH-GFCCVEGCSA-N 1 2 330.348 0.209 20 30 ECEDLO Cc1nnc([C@H](C)[NH2+]C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)o1 ZINC001051523974 762275618 /nfs/dbraw/zinc/27/56/18/762275618.db2.gz NTRSCGATHMFCGH-GWCFXTLKSA-N 1 2 344.375 0.770 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cnnn2C)C1 ZINC001008841225 754188288 /nfs/dbraw/zinc/18/82/88/754188288.db2.gz QPXRSMJULIYCJX-BPUTZDHNSA-N 1 2 333.436 0.877 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cnnn2C)C1 ZINC001008841225 754188290 /nfs/dbraw/zinc/18/82/90/754188290.db2.gz QPXRSMJULIYCJX-BPUTZDHNSA-N 1 2 333.436 0.877 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 ZINC000989623824 754218272 /nfs/dbraw/zinc/21/82/72/754218272.db2.gz KUWYCDIGCRIJRR-UHFFFAOYSA-N 1 2 328.800 0.167 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CN2C(=O)CN(C)C2=O)CC1 ZINC000989623824 754218275 /nfs/dbraw/zinc/21/82/75/754218275.db2.gz KUWYCDIGCRIJRR-UHFFFAOYSA-N 1 2 328.800 0.167 20 30 ECEDLO C=CCC[N@@H+]1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001008893946 754273641 /nfs/dbraw/zinc/27/36/41/754273641.db2.gz UXOLGUXXTPGTSI-LBPRGKRZSA-N 1 2 330.392 0.228 20 30 ECEDLO C=CCC[N@H+]1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001008893946 754273648 /nfs/dbraw/zinc/27/36/48/754273648.db2.gz UXOLGUXXTPGTSI-LBPRGKRZSA-N 1 2 330.392 0.228 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)[nH]1 ZINC001008966097 754367838 /nfs/dbraw/zinc/36/78/38/754367838.db2.gz CLRYWBWFWSCRHR-ZSOGYDGISA-N 1 2 338.371 0.286 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000983019789 754446328 /nfs/dbraw/zinc/44/63/28/754446328.db2.gz NBMRCPLJIXAHLB-IMJJTQAJSA-N 1 2 346.431 0.518 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)nc1 ZINC001009266988 754723916 /nfs/dbraw/zinc/72/39/16/754723916.db2.gz BUOKGVCHZKQIHX-DZGCQCFKSA-N 1 2 340.383 0.062 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)nc1 ZINC001009266988 754723918 /nfs/dbraw/zinc/72/39/18/754723918.db2.gz BUOKGVCHZKQIHX-DZGCQCFKSA-N 1 2 340.383 0.062 20 30 ECEDLO CCc1noc(C[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)n1 ZINC001051554237 762328862 /nfs/dbraw/zinc/32/88/62/762328862.db2.gz BPITVPRRXNSLPS-GFCCVEGCSA-N 1 2 344.375 0.463 20 30 ECEDLO Cc1noc(C[NH2+]C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)n1 ZINC001051555833 762330468 /nfs/dbraw/zinc/33/04/68/762330468.db2.gz OXJCEYXUZRUZNC-LBPRGKRZSA-N 1 2 330.348 0.209 20 30 ECEDLO Cn1cnnc1C[N@@H+]1CC[C@]2(NC(=O)c3ccc(C#N)[nH]3)CCC[C@H]12 ZINC000990277439 754932534 /nfs/dbraw/zinc/93/25/34/754932534.db2.gz QBGXOFVUKRRIFG-WMLDXEAASA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1cnnc1C[N@H+]1CC[C@]2(NC(=O)c3ccc(C#N)[nH]3)CCC[C@H]12 ZINC000990277439 754932538 /nfs/dbraw/zinc/93/25/38/754932538.db2.gz QBGXOFVUKRRIFG-WMLDXEAASA-N 1 2 339.403 0.942 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](CNC(=O)c3[nH]ncc3F)C2)C1=O ZINC001028783812 755117558 /nfs/dbraw/zinc/11/75/58/755117558.db2.gz HBNWUFRJFMAEGR-AAEUAGOBSA-N 1 2 335.383 0.387 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)c3[nH]ncc3F)C2)C1=O ZINC001028783812 755117560 /nfs/dbraw/zinc/11/75/60/755117560.db2.gz HBNWUFRJFMAEGR-AAEUAGOBSA-N 1 2 335.383 0.387 20 30 ECEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@@]23CCC[C@H]2N(C(=O)C#CC2CC2)CC3)C1 ZINC001014223825 762374152 /nfs/dbraw/zinc/37/41/52/762374152.db2.gz FCUNYEXSDXEXSE-FRQCXROJSA-N 1 2 345.443 0.370 20 30 ECEDLO C[N@H+]1CCO[C@H](C(=O)N[C@@]23CCC[C@H]2N(C(=O)C#CC2CC2)CC3)C1 ZINC001014223825 762374157 /nfs/dbraw/zinc/37/41/57/762374157.db2.gz FCUNYEXSDXEXSE-FRQCXROJSA-N 1 2 345.443 0.370 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001060039752 755280775 /nfs/dbraw/zinc/28/07/75/755280775.db2.gz IENVJXXYUHZLQN-RDTXWAMCSA-N 1 2 348.447 0.943 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)C2)nn1 ZINC001105379315 755286585 /nfs/dbraw/zinc/28/65/85/755286585.db2.gz UIRJHYKFWSOCCZ-AIDNBVJZSA-N 1 2 325.416 0.676 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3cnn(CC)n3)C2)nn1 ZINC001028852445 755310958 /nfs/dbraw/zinc/31/09/58/755310958.db2.gz JEHORODBXARMAN-ZDUSSCGKSA-N 1 2 344.423 0.327 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3cnn(CC)n3)C2)nn1 ZINC001028852445 755310964 /nfs/dbraw/zinc/31/09/64/755310964.db2.gz JEHORODBXARMAN-ZDUSSCGKSA-N 1 2 344.423 0.327 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3cnns3)C2)nn1 ZINC001028853126 755315720 /nfs/dbraw/zinc/31/57/20/755315720.db2.gz PPOLJCYACXHAMC-LLVKDONJSA-N 1 2 333.421 0.568 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3cnns3)C2)nn1 ZINC001028853126 755315722 /nfs/dbraw/zinc/31/57/22/755315722.db2.gz PPOLJCYACXHAMC-LLVKDONJSA-N 1 2 333.421 0.568 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3ncccn3)C2)nn1 ZINC001028856380 755319683 /nfs/dbraw/zinc/31/96/83/755319683.db2.gz GHIXMHAQGSUYSH-AWEZNQCLSA-N 1 2 341.419 0.896 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ncccn3)C2)nn1 ZINC001028856380 755319686 /nfs/dbraw/zinc/31/96/86/755319686.db2.gz GHIXMHAQGSUYSH-AWEZNQCLSA-N 1 2 341.419 0.896 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)c1 ZINC000990703385 755651676 /nfs/dbraw/zinc/65/16/76/755651676.db2.gz JOGWBJUICUKEOY-GFCCVEGCSA-N 1 2 338.371 0.286 20 30 ECEDLO C[C@@H]1C[C@H](CNC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001010275603 755924245 /nfs/dbraw/zinc/92/42/45/755924245.db2.gz KSPLBUFPJIGERR-DGCLKSJQSA-N 1 2 340.387 0.819 20 30 ECEDLO C=CCOCC(=O)NCC[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001060102343 756140640 /nfs/dbraw/zinc/14/06/40/756140640.db2.gz SMHZMLVMNAVGLS-HNNXBMFYSA-N 1 2 348.447 0.910 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)C2)c1 ZINC001010468029 756159855 /nfs/dbraw/zinc/15/98/55/756159855.db2.gz FNAYTMHSNZPKIH-DGCLKSJQSA-N 1 2 336.417 0.125 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)C2)c1 ZINC001010468029 756159858 /nfs/dbraw/zinc/15/98/58/756159858.db2.gz FNAYTMHSNZPKIH-DGCLKSJQSA-N 1 2 336.417 0.125 20 30 ECEDLO C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)CCc1c[nH+]cn1C ZINC001076217026 756219602 /nfs/dbraw/zinc/21/96/02/756219602.db2.gz ZENMTFZVFFWVSN-LBPRGKRZSA-N 1 2 342.403 0.877 20 30 ECEDLO CC(C)c1noc(C[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC001051609313 762458182 /nfs/dbraw/zinc/45/81/82/762458182.db2.gz RCILCDIQQPGTNQ-AWEZNQCLSA-N 1 2 332.404 0.923 20 30 ECEDLO CC(C)C#CC(=O)NCC[C@H](C)NC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001076413732 756484706 /nfs/dbraw/zinc/48/47/06/756484706.db2.gz LVZAXTNMIWOSQA-YJBOKZPZSA-N 1 2 349.475 0.768 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001010779112 756510826 /nfs/dbraw/zinc/51/08/26/756510826.db2.gz ORYILPRXWPUBDD-CQSZACIVSA-N 1 2 343.431 0.963 20 30 ECEDLO C=CCn1cc(C(=O)NCC[C@H](C)NC(=O)CCc2[nH]cc[nH+]2)nn1 ZINC001076575940 756678125 /nfs/dbraw/zinc/67/81/25/756678125.db2.gz OERBHYBVUUPBTM-LBPRGKRZSA-N 1 2 345.407 0.445 20 30 ECEDLO Cc1nsc(NC[C@H](O)CNC(=O)CCCn2cc[nH+]c2)c1C#N ZINC001105893755 762489832 /nfs/dbraw/zinc/48/98/32/762489832.db2.gz GIVZPHOMGCPYTB-GFCCVEGCSA-N 1 2 348.432 0.889 20 30 ECEDLO COC1CC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)C1 ZINC001083551615 756769244 /nfs/dbraw/zinc/76/92/44/756769244.db2.gz USRPHKAWUHCAOF-FBDPFYNOSA-N 1 2 335.429 0.706 20 30 ECEDLO COC1CC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)C1 ZINC001083551615 756769245 /nfs/dbraw/zinc/76/92/45/756769245.db2.gz USRPHKAWUHCAOF-FBDPFYNOSA-N 1 2 335.429 0.706 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)[nH]1 ZINC001011020412 756774868 /nfs/dbraw/zinc/77/48/68/756774868.db2.gz UHYZLRPWYYENOZ-UHFFFAOYSA-N 1 2 326.360 0.527 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)[nH]1 ZINC001011020412 756774870 /nfs/dbraw/zinc/77/48/70/756774870.db2.gz UHYZLRPWYYENOZ-UHFFFAOYSA-N 1 2 326.360 0.527 20 30 ECEDLO N#Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)c[nH]1 ZINC001011026647 756788511 /nfs/dbraw/zinc/78/85/11/756788511.db2.gz FROBBUFEMMDKQI-ZIAGYGMSSA-N 1 2 338.371 0.698 20 30 ECEDLO N#Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)c[nH]1 ZINC001011026647 756788513 /nfs/dbraw/zinc/78/85/13/756788513.db2.gz FROBBUFEMMDKQI-ZIAGYGMSSA-N 1 2 338.371 0.698 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccc3C)C2)C1=O ZINC001076700766 756877208 /nfs/dbraw/zinc/87/72/08/756877208.db2.gz UHYRHFJIEGGASA-BRWVUGGUSA-N 1 2 343.427 0.557 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccc3C)C2)C1=O ZINC001076700766 756877212 /nfs/dbraw/zinc/87/72/12/756877212.db2.gz UHYRHFJIEGGASA-BRWVUGGUSA-N 1 2 343.427 0.557 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001076716234 756910870 /nfs/dbraw/zinc/91/08/70/756910870.db2.gz HOZDHNLFMSLSAM-BFYDXBDKSA-N 1 2 345.399 0.407 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001076716234 756910874 /nfs/dbraw/zinc/91/08/74/756910874.db2.gz HOZDHNLFMSLSAM-BFYDXBDKSA-N 1 2 345.399 0.407 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCO3)C2)cc1F ZINC001076716015 756910985 /nfs/dbraw/zinc/91/09/85/756910985.db2.gz BAWAVIXHRWDOPW-OAGGEKHMSA-N 1 2 333.363 0.538 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCO3)C2)cc1F ZINC001076716015 756910990 /nfs/dbraw/zinc/91/09/90/756910990.db2.gz BAWAVIXHRWDOPW-OAGGEKHMSA-N 1 2 333.363 0.538 20 30 ECEDLO CCn1ncnc1C[N@H+]1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C1 ZINC001048771291 756944467 /nfs/dbraw/zinc/94/44/67/756944467.db2.gz FMLOLAXAUHBFAE-BETUJISGSA-N 1 2 339.403 0.702 20 30 ECEDLO CCn1ncnc1C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C1 ZINC001048771291 756944471 /nfs/dbraw/zinc/94/44/71/756944471.db2.gz FMLOLAXAUHBFAE-BETUJISGSA-N 1 2 339.403 0.702 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCCO3)C2)cc1F ZINC001076757985 756976497 /nfs/dbraw/zinc/97/64/97/756976497.db2.gz IANZBRRZIWWLBW-USXIJHARSA-N 1 2 347.390 0.928 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCCO3)C2)cc1F ZINC001076757985 756976508 /nfs/dbraw/zinc/97/65/08/756976508.db2.gz IANZBRRZIWWLBW-USXIJHARSA-N 1 2 347.390 0.928 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001076769974 757066401 /nfs/dbraw/zinc/06/64/01/757066401.db2.gz XJCCYVOYURJYLU-HUUCEWRRSA-N 1 2 341.371 0.265 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001076769974 757066405 /nfs/dbraw/zinc/06/64/05/757066405.db2.gz XJCCYVOYURJYLU-HUUCEWRRSA-N 1 2 341.371 0.265 20 30 ECEDLO CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1O ZINC001048811205 757071018 /nfs/dbraw/zinc/07/10/18/757071018.db2.gz QGGUGEQFDWFGHK-KBPBESRZSA-N 1 2 346.431 0.377 20 30 ECEDLO CN(C(=O)C#CC(C)(C)C)[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1O ZINC001048832217 757134626 /nfs/dbraw/zinc/13/46/26/757134626.db2.gz GKSQACQMJBBDIR-KBPBESRZSA-N 1 2 346.431 0.422 20 30 ECEDLO C#CCCCC(=O)N1CC[C@@H](n2cc(C[NH2+]CC(=O)NCC)nn2)C1 ZINC001098666866 757158053 /nfs/dbraw/zinc/15/80/53/757158053.db2.gz JGTNEIZERREEDR-OAHLLOKOSA-N 1 2 346.435 0.081 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CCCCCC3)C2)C1=O ZINC001076802799 757186164 /nfs/dbraw/zinc/18/61/64/757186164.db2.gz TWUNWJMQZDDUPC-IXDOHACOSA-N 1 2 349.475 0.905 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3CCCCCC3)C2)C1=O ZINC001076802799 757186169 /nfs/dbraw/zinc/18/61/69/757186169.db2.gz TWUNWJMQZDDUPC-IXDOHACOSA-N 1 2 349.475 0.905 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](C)c3ccnn3C)nn2)C1 ZINC001107172710 757224240 /nfs/dbraw/zinc/22/42/40/757224240.db2.gz IIGVUGVQQLSEKZ-GFCCVEGCSA-N 1 2 329.408 0.474 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@H]12 ZINC001014343603 762530253 /nfs/dbraw/zinc/53/02/53/762530253.db2.gz OBEXCKMMPFZVMZ-HACGYAERSA-N 1 2 329.404 0.762 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001011240572 757272009 /nfs/dbraw/zinc/27/20/09/757272009.db2.gz YHPYGMRMDAQQEV-RYUDHWBXSA-N 1 2 349.328 0.655 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001011240572 757272016 /nfs/dbraw/zinc/27/20/16/757272016.db2.gz YHPYGMRMDAQQEV-RYUDHWBXSA-N 1 2 349.328 0.655 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3cc[nH]c3)nn2)C1 ZINC001107173944 757282123 /nfs/dbraw/zinc/28/21/23/757282123.db2.gz KDGJUHSLCLICQJ-UHFFFAOYSA-N 1 2 330.392 0.596 20 30 ECEDLO C=CC(C)(C)CC(=O)N(C)[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1O ZINC001048901448 757344508 /nfs/dbraw/zinc/34/45/08/757344508.db2.gz LWZDGDZBALLASC-KBPBESRZSA-N 1 2 348.447 0.975 20 30 ECEDLO Cc1ncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)s1 ZINC001076854604 757395104 /nfs/dbraw/zinc/39/51/04/757395104.db2.gz OBPUZEKGTGETJK-ZIAGYGMSSA-N 1 2 331.401 0.626 20 30 ECEDLO Cc1ncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)s1 ZINC001076854604 757395117 /nfs/dbraw/zinc/39/51/17/757395117.db2.gz OBPUZEKGTGETJK-ZIAGYGMSSA-N 1 2 331.401 0.626 20 30 ECEDLO O=C(C[C@@H]1COC(=O)C1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001076884637 757459228 /nfs/dbraw/zinc/45/92/28/757459228.db2.gz XRMKUHZPCRQLRX-GVDBMIGSSA-N 1 2 342.395 0.153 20 30 ECEDLO O=C(C[C@@H]1COC(=O)C1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001076884637 757459236 /nfs/dbraw/zinc/45/92/36/757459236.db2.gz XRMKUHZPCRQLRX-GVDBMIGSSA-N 1 2 342.395 0.153 20 30 ECEDLO C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1O ZINC001048937580 757463730 /nfs/dbraw/zinc/46/37/30/757463730.db2.gz PMKIINVKBIDUGJ-GJZGRUSLSA-N 1 2 334.420 0.660 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@H](F)CC)nn2)C1 ZINC001107194513 757495376 /nfs/dbraw/zinc/49/53/76/757495376.db2.gz WTHHOKMZVCLHNX-CQSZACIVSA-N 1 2 325.388 0.702 20 30 ECEDLO CCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC001076898295 757516431 /nfs/dbraw/zinc/51/64/31/757516431.db2.gz CATJMBVRNSAREX-ZIAGYGMSSA-N 1 2 343.387 0.720 20 30 ECEDLO CCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC001076898295 757516441 /nfs/dbraw/zinc/51/64/41/757516441.db2.gz CATJMBVRNSAREX-ZIAGYGMSSA-N 1 2 343.387 0.720 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)[nH]1 ZINC001076898720 757518032 /nfs/dbraw/zinc/51/80/32/757518032.db2.gz XEPAAEXLTGJUQF-HUUCEWRRSA-N 1 2 341.396 0.795 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)[nH]1 ZINC001076898720 757518038 /nfs/dbraw/zinc/51/80/38/757518038.db2.gz XEPAAEXLTGJUQF-HUUCEWRRSA-N 1 2 341.396 0.795 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3csnn3)C(C)(C)C2)nn1 ZINC000996390415 757521730 /nfs/dbraw/zinc/52/17/30/757521730.db2.gz ULTQAIXNICOMHV-CYBMUJFWSA-N 1 2 347.448 0.956 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)Cc3ncccc3F)nn2)C1 ZINC001107198660 757570527 /nfs/dbraw/zinc/57/05/27/757570527.db2.gz NYHAIVYBRBHYFQ-UHFFFAOYSA-N 1 2 330.367 0.714 20 30 ECEDLO Cn1[nH]c(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C(=O)C#CC3CC3)C2)nc1=O ZINC001021583148 757639863 /nfs/dbraw/zinc/63/98/63/757639863.db2.gz FKWPGJFZHPRWFJ-LSDHHAIUSA-N 1 2 343.431 0.335 20 30 ECEDLO Cn1[nH]c(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C(=O)C#CC3CC3)C2)nc1=O ZINC001021583148 757639866 /nfs/dbraw/zinc/63/98/66/757639866.db2.gz FKWPGJFZHPRWFJ-LSDHHAIUSA-N 1 2 343.431 0.335 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C[C@H]3CC[C@@H](C)O3)nn2)C1 ZINC001107205295 757660234 /nfs/dbraw/zinc/66/02/34/757660234.db2.gz SAGYBECPXUCEKS-CZUORRHYSA-N 1 2 331.420 0.732 20 30 ECEDLO C=C1CC(C)(C(=O)NCc2cn(C3C[NH+](C[C@H](O)COC)C3)nn2)C1 ZINC001107211507 757700549 /nfs/dbraw/zinc/70/05/49/757700549.db2.gz VFYPVYQTWXLDNP-HNNXBMFYSA-N 1 2 349.435 0.115 20 30 ECEDLO C=CC(C)(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001049033989 757748524 /nfs/dbraw/zinc/74/85/24/757748524.db2.gz ACHNJXANCAJMQW-KBPBESRZSA-N 1 2 334.420 0.516 20 30 ECEDLO C=CCN1CC(n2cc(CNC(=O)C[C@@H](C)n3cc[nH+]c3)nn2)C1 ZINC001107215381 757791954 /nfs/dbraw/zinc/79/19/54/757791954.db2.gz FJBVRZODERYZNK-CYBMUJFWSA-N 1 2 329.408 0.785 20 30 ECEDLO C#CCN1CC(n2cc(CNC(=O)C[C@@H](C)n3cc[nH+]c3)nn2)C1 ZINC001107216014 757797237 /nfs/dbraw/zinc/79/72/37/757797237.db2.gz SPFYEHJUWFMTCV-CYBMUJFWSA-N 1 2 327.392 0.232 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C3(NC(C)=O)CCCC3)nn2)C1 ZINC001107218522 757826988 /nfs/dbraw/zinc/82/69/88/757826988.db2.gz FXAKJKBGXAQLGP-UHFFFAOYSA-N 1 2 346.435 0.386 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCc3cn[nH]c3)nn2)C1 ZINC001107218696 757832762 /nfs/dbraw/zinc/83/27/62/757832762.db2.gz ITYULTBPJPMOPH-UHFFFAOYSA-N 1 2 329.408 0.683 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C[C@@H](C)n3cccn3)nn2)C1 ZINC001107227559 757980919 /nfs/dbraw/zinc/98/09/19/757980919.db2.gz LVQMFASPCQSXCH-CYBMUJFWSA-N 1 2 329.408 0.785 20 30 ECEDLO Cn1ncc(C[N@@H+]2C[C@@H]3CN(C(=O)CSCC#N)C[C@]3(C)C2)n1 ZINC001101135219 758091238 /nfs/dbraw/zinc/09/12/38/758091238.db2.gz JVKVBAKRQFNGDN-DOMZBBRYSA-N 1 2 334.449 0.352 20 30 ECEDLO Cn1ncc(C[N@H+]2C[C@@H]3CN(C(=O)CSCC#N)C[C@]3(C)C2)n1 ZINC001101135219 758091250 /nfs/dbraw/zinc/09/12/50/758091250.db2.gz JVKVBAKRQFNGDN-DOMZBBRYSA-N 1 2 334.449 0.352 20 30 ECEDLO C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001077103899 758188129 /nfs/dbraw/zinc/18/81/29/758188129.db2.gz IQBGLEFSDPQYRX-KBPBESRZSA-N 1 2 334.420 0.659 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)NC/C=C/CNc1nccnc1C#N ZINC001107298564 758198211 /nfs/dbraw/zinc/19/82/11/758198211.db2.gz XYKGDRDXWQBJNF-NSCUHMNNSA-N 1 2 325.376 0.799 20 30 ECEDLO Cc1nc(N2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)cc[nH+]1 ZINC001051656516 762608524 /nfs/dbraw/zinc/60/85/24/762608524.db2.gz AKPFMEPPNVBWLF-OCCSQVGLSA-N 1 2 326.360 0.354 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001077115844 758223537 /nfs/dbraw/zinc/22/35/37/758223537.db2.gz AYNHIEMFYTZHRU-LSDHHAIUSA-N 1 2 346.431 0.496 20 30 ECEDLO C[C@H]1[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001011662647 758240162 /nfs/dbraw/zinc/24/01/62/758240162.db2.gz WNYCWJKSHOHPAG-GXFFZTMASA-N 1 2 326.360 0.571 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001011669641 758259448 /nfs/dbraw/zinc/25/94/48/758259448.db2.gz RQVCPIBZVZJKJR-NHYWBVRUSA-N 1 2 340.387 0.582 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@H]1O ZINC001077133355 758301272 /nfs/dbraw/zinc/30/12/72/758301272.db2.gz NRYBRAYFQZTHED-GDBMZVCRSA-N 1 2 330.388 0.946 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@H]1O ZINC001077133355 758301285 /nfs/dbraw/zinc/30/12/85/758301285.db2.gz NRYBRAYFQZTHED-GDBMZVCRSA-N 1 2 330.388 0.946 20 30 ECEDLO CC#CCCCC(=O)N(C)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001049249370 758433915 /nfs/dbraw/zinc/43/39/15/758433915.db2.gz ALHOUYFELVFDLT-GJZGRUSLSA-N 1 2 332.404 0.176 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(C(C)C)[nH]2)C1 ZINC001022220722 758441435 /nfs/dbraw/zinc/44/14/35/758441435.db2.gz LREUQIZRKICQKG-ZNMIVQPWSA-N 1 2 344.463 0.763 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000996683382 758464015 /nfs/dbraw/zinc/46/40/15/758464015.db2.gz BZAMYNMEBSMZLL-INIZCTEOSA-N 1 2 327.432 0.655 20 30 ECEDLO C=C[C@H](CC)CC(=O)N(C)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1O ZINC001049276326 758466559 /nfs/dbraw/zinc/46/65/59/758466559.db2.gz QJISJHIJRDLXFN-KBMXLJTQSA-N 1 2 348.447 0.595 20 30 ECEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H](CC)C(N)=O)C[C@H]2O)cc1 ZINC001077246316 758597670 /nfs/dbraw/zinc/59/76/70/758597670.db2.gz VYFXSUQSBYHTOA-BZUAXINKSA-N 1 2 347.415 0.290 20 30 ECEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H](CC)C(N)=O)C[C@H]2O)cc1 ZINC001077246316 758597675 /nfs/dbraw/zinc/59/76/75/758597675.db2.gz VYFXSUQSBYHTOA-BZUAXINKSA-N 1 2 347.415 0.290 20 30 ECEDLO C[C@@H](C#N)C(=O)N(C)[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1O ZINC001049389206 758616858 /nfs/dbraw/zinc/61/68/58/758616858.db2.gz UMAJNYZWZMSOMP-LKTVYLICSA-N 1 2 341.371 0.366 20 30 ECEDLO Cn1ncc(C[N@@H+]2CC[C@H]3[C@H]2CCCN3C(=O)c2cc(C#N)c[nH]2)n1 ZINC001049399689 758633161 /nfs/dbraw/zinc/63/31/61/758633161.db2.gz AXVCYVQZIYJKQQ-CVEARBPZSA-N 1 2 339.403 0.894 20 30 ECEDLO Cn1ncc(C[N@H+]2CC[C@H]3[C@H]2CCCN3C(=O)c2cc(C#N)c[nH]2)n1 ZINC001049399689 758633164 /nfs/dbraw/zinc/63/31/64/758633164.db2.gz AXVCYVQZIYJKQQ-CVEARBPZSA-N 1 2 339.403 0.894 20 30 ECEDLO Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)c2c[nH]c(C#N)c2)nn1 ZINC001049430097 758681346 /nfs/dbraw/zinc/68/13/46/758681346.db2.gz AAVHUBQRJYIJPL-JKSUJKDBSA-N 1 2 339.403 0.894 20 30 ECEDLO Cn1cc(C[N@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)c2c[nH]c(C#N)c2)nn1 ZINC001049430097 758681351 /nfs/dbraw/zinc/68/13/51/758681351.db2.gz AAVHUBQRJYIJPL-JKSUJKDBSA-N 1 2 339.403 0.894 20 30 ECEDLO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001049512172 758831652 /nfs/dbraw/zinc/83/16/52/758831652.db2.gz AMXYFMOXAPWULI-SNPRPXQTSA-N 1 2 346.431 0.826 20 30 ECEDLO C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001049549198 758908846 /nfs/dbraw/zinc/90/88/46/758908846.db2.gz OGLZPQQCRDFTOU-GJZGRUSLSA-N 1 2 336.457 0.510 20 30 ECEDLO C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001049549198 758908854 /nfs/dbraw/zinc/90/88/54/758908854.db2.gz OGLZPQQCRDFTOU-GJZGRUSLSA-N 1 2 336.457 0.510 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001011929857 758978195 /nfs/dbraw/zinc/97/81/95/758978195.db2.gz JFRMUCBBOIXNEL-JSGCOSHPSA-N 1 2 340.387 0.892 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1nc(=O)n(C)[nH]1 ZINC001049634061 759026472 /nfs/dbraw/zinc/02/64/72/759026472.db2.gz CSSSALDBPWIOOW-QWHCGFSZSA-N 1 2 333.436 0.886 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1nc(=O)n(C)[nH]1 ZINC001049634061 759026483 /nfs/dbraw/zinc/02/64/83/759026483.db2.gz CSSSALDBPWIOOW-QWHCGFSZSA-N 1 2 333.436 0.886 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001022750293 759083112 /nfs/dbraw/zinc/08/31/12/759083112.db2.gz WNGVAENMADXREN-YJNKXOJESA-N 1 2 344.415 0.603 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)C1CC(Nc2[nH+]cnc3c2cnn3C)C1 ZINC001127005661 759233534 /nfs/dbraw/zinc/23/35/34/759233534.db2.gz HHRROHACNPAZEM-PNESKVBLSA-N 1 2 342.403 0.803 20 30 ECEDLO Cc1nc(NC[C@H](O)CNC(=O)Cc2c[nH+]cn2C)ccc1C#N ZINC001105914104 762695816 /nfs/dbraw/zinc/69/58/16/762695816.db2.gz OWNSPKLGTQIXHH-AWEZNQCLSA-N 1 2 328.376 0.127 20 30 ECEDLO C#CCCOc1ccc(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)cc1 ZINC001127008338 759257919 /nfs/dbraw/zinc/25/79/19/759257919.db2.gz HSVCJBRRJMIFPM-UHFFFAOYSA-N 1 2 343.387 0.030 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2[nH]nnc2C1 ZINC001049839779 759280027 /nfs/dbraw/zinc/28/00/27/759280027.db2.gz JYGUVIFNRXTEGV-RRQGHBQHSA-N 1 2 327.432 0.998 20 30 ECEDLO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2[nH]nnc2C1 ZINC001049839779 759280032 /nfs/dbraw/zinc/28/00/32/759280032.db2.gz JYGUVIFNRXTEGV-RRQGHBQHSA-N 1 2 327.432 0.998 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2nn[nH]c2C1 ZINC001049839779 759280036 /nfs/dbraw/zinc/28/00/36/759280036.db2.gz JYGUVIFNRXTEGV-RRQGHBQHSA-N 1 2 327.432 0.998 20 30 ECEDLO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2nn[nH]c2C1 ZINC001049839779 759280042 /nfs/dbraw/zinc/28/00/42/759280042.db2.gz JYGUVIFNRXTEGV-RRQGHBQHSA-N 1 2 327.432 0.998 20 30 ECEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)Cc3cc[nH]n3)CC2)C1 ZINC001105700013 759407831 /nfs/dbraw/zinc/40/78/31/759407831.db2.gz QJFYEUSKFRVJKW-UHFFFAOYSA-N 1 2 348.447 0.847 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2ccc(C)o2)[C@H](OC)C1 ZINC001212136989 759749102 /nfs/dbraw/zinc/74/91/02/759749102.db2.gz SENKVEUWNKNLLT-NUEKZKHPSA-N 1 2 347.415 0.084 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2ccc(C)o2)[C@H](OC)C1 ZINC001212136989 759749106 /nfs/dbraw/zinc/74/91/06/759749106.db2.gz SENKVEUWNKNLLT-NUEKZKHPSA-N 1 2 347.415 0.084 20 30 ECEDLO COCCc1noc(C[NH2+][C@H]2CN(C(=O)[C@H](C)C#N)CC2(C)C)n1 ZINC000995563789 759777593 /nfs/dbraw/zinc/77/75/93/759777593.db2.gz QCJQFJDBSKBBNT-NEPJUHHUSA-N 1 2 335.408 0.745 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2NC/C=C\CNC(=O)c1cc(C#N)c[nH]1 ZINC001107096225 759912627 /nfs/dbraw/zinc/91/26/27/759912627.db2.gz HZYJHKYEKRWDPM-IHWYPQMZSA-N 1 2 336.359 0.961 20 30 ECEDLO C#CCOCCC(=O)NCC[NH2+]Cc1nnc([C@H]2CCCOC2)o1 ZINC001127031547 760020874 /nfs/dbraw/zinc/02/08/74/760020874.db2.gz HNPRXTQZRJXFNM-ZDUSSCGKSA-N 1 2 336.392 0.209 20 30 ECEDLO C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000945316025 760068600 /nfs/dbraw/zinc/06/86/00/760068600.db2.gz ILEPNBLHTFCWGS-CZUORRHYSA-N 1 2 328.416 0.729 20 30 ECEDLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000945386038 760180692 /nfs/dbraw/zinc/18/06/92/760180692.db2.gz RFTWTZXUPKGLJK-TZMCWYRMSA-N 1 2 340.387 0.750 20 30 ECEDLO CCc1nnc(C[NH+]2CCC3(CN(C(=O)[C@H](C)C#N)C3)CC2)n1C ZINC001050463492 760307334 /nfs/dbraw/zinc/30/73/34/760307334.db2.gz SNWLLRXLEHYLKM-CYBMUJFWSA-N 1 2 330.436 0.962 20 30 ECEDLO CCCn1nnnc1C[NH+]1CCC2(CN(C(=O)C#CC3CC3)C2)CC1 ZINC001050514297 760407123 /nfs/dbraw/zinc/40/71/23/760407123.db2.gz LECWCXOLXDCJEA-UHFFFAOYSA-N 1 2 342.447 0.921 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCn3cccn3)nn2)C1 ZINC001107129212 760520230 /nfs/dbraw/zinc/52/02/30/760520230.db2.gz MNOAULQDFCVWLI-UHFFFAOYSA-N 1 2 329.408 0.614 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cn1cc[nH+]c1 ZINC001013030664 760974376 /nfs/dbraw/zinc/97/43/76/760974376.db2.gz HGZIKSNRCDTQII-RISCZKNCSA-N 1 2 326.360 0.502 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2COCC[N@@H+]2CC[C@H]2CCCO2)c1 ZINC001050864821 761033283 /nfs/dbraw/zinc/03/32/83/761033283.db2.gz FXJYBYXSCGPPKK-LSDHHAIUSA-N 1 2 332.404 0.886 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2COCC[N@H+]2CC[C@H]2CCCO2)c1 ZINC001050864821 761033291 /nfs/dbraw/zinc/03/32/91/761033291.db2.gz FXJYBYXSCGPPKK-LSDHHAIUSA-N 1 2 332.404 0.886 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2COCC[N@@H+]2CC[C@@H]2CCCO2)c[nH]1 ZINC001050880179 761061451 /nfs/dbraw/zinc/06/14/51/761061451.db2.gz NRGZAKWKJASSNB-CVEARBPZSA-N 1 2 332.404 0.886 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2COCC[N@H+]2CC[C@@H]2CCCO2)c[nH]1 ZINC001050880179 761061459 /nfs/dbraw/zinc/06/14/59/761061459.db2.gz NRGZAKWKJASSNB-CVEARBPZSA-N 1 2 332.404 0.886 20 30 ECEDLO C#CCCN1CCOC[C@H]1CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001050924071 761152462 /nfs/dbraw/zinc/15/24/62/761152462.db2.gz BYWCROWRSMJZAH-PBHICJAKSA-N 1 2 345.447 0.630 20 30 ECEDLO C#CCCN1CCOC[C@H]1CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001050924071 761152466 /nfs/dbraw/zinc/15/24/66/761152466.db2.gz BYWCROWRSMJZAH-PBHICJAKSA-N 1 2 345.447 0.630 20 30 ECEDLO CC#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001050991035 761285779 /nfs/dbraw/zinc/28/57/79/761285779.db2.gz SEFPAAKPNKBZJS-GJZGRUSLSA-N 1 2 330.432 0.663 20 30 ECEDLO CC#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001050991035 761285782 /nfs/dbraw/zinc/28/57/82/761285782.db2.gz SEFPAAKPNKBZJS-GJZGRUSLSA-N 1 2 330.432 0.663 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cc1c[nH+]cn1C ZINC001013324266 761307973 /nfs/dbraw/zinc/30/79/73/761307973.db2.gz FPFWUTGUUYSSTB-RISCZKNCSA-N 1 2 340.387 0.582 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(-n2cncn2)nc1 ZINC001051051858 761398121 /nfs/dbraw/zinc/39/81/21/761398121.db2.gz FXYUVBFSUISFOP-OAHLLOKOSA-N 1 2 342.403 0.669 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(-n2cncn2)nc1 ZINC001051051858 761398128 /nfs/dbraw/zinc/39/81/28/761398128.db2.gz FXYUVBFSUISFOP-OAHLLOKOSA-N 1 2 342.403 0.669 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccn2nnnc2c1 ZINC001051059195 761413771 /nfs/dbraw/zinc/41/37/71/761413771.db2.gz FBAQSQCCTMHETG-AWEZNQCLSA-N 1 2 330.392 0.521 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccn2nnnc2c1 ZINC001051059195 761413774 /nfs/dbraw/zinc/41/37/74/761413774.db2.gz FBAQSQCCTMHETG-AWEZNQCLSA-N 1 2 330.392 0.521 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)cn1 ZINC001013469152 761456199 /nfs/dbraw/zinc/45/61/99/761456199.db2.gz KUMNEGKJQHTJHQ-DOMZBBRYSA-N 1 2 337.383 0.748 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001051089229 761471436 /nfs/dbraw/zinc/47/14/36/761471436.db2.gz KPUQSAWGAOMYBB-ZIAGYGMSSA-N 1 2 333.436 0.313 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001051089229 761471441 /nfs/dbraw/zinc/47/14/41/761471441.db2.gz KPUQSAWGAOMYBB-ZIAGYGMSSA-N 1 2 333.436 0.313 20 30 ECEDLO C=CCOCC(=O)NC[C@@H](O)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001105748069 761479198 /nfs/dbraw/zinc/47/91/98/761479198.db2.gz PPGAJCXRWHHSHH-CYBMUJFWSA-N 1 2 334.420 0.755 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2COCC[N@@H+]2C[C@H]2CCOC2)c1 ZINC001051108038 761505230 /nfs/dbraw/zinc/50/52/30/761505230.db2.gz XPASMCSYCSIHOM-NVXWUHKLSA-N 1 2 329.400 0.530 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2COCC[N@H+]2C[C@H]2CCOC2)c1 ZINC001051108038 761505236 /nfs/dbraw/zinc/50/52/36/761505236.db2.gz XPASMCSYCSIHOM-NVXWUHKLSA-N 1 2 329.400 0.530 20 30 ECEDLO C=CCOCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001051258085 761780832 /nfs/dbraw/zinc/78/08/32/761780832.db2.gz BLKSULCIICCKCG-UONOGXRCSA-N 1 2 334.420 0.518 20 30 ECEDLO Cc1cc(N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)c(C#N)cn1 ZINC001051702311 762735619 /nfs/dbraw/zinc/73/56/19/762735619.db2.gz XXTZZTHQYZCAGS-HOCLYGCPSA-N 1 2 340.387 0.214 20 30 ECEDLO CC(C)C#CC(=O)N(C)CCOCCNc1[nH+]cnc2c1cnn2C ZINC001127315274 768083183 /nfs/dbraw/zinc/08/31/83/768083183.db2.gz MDZFDWNKYGIZBB-UHFFFAOYSA-N 1 2 344.419 0.910 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001017528280 768087293 /nfs/dbraw/zinc/08/72/93/768087293.db2.gz CSGPBIDBJCCDND-ZFWWWQNUSA-N 1 2 341.415 0.880 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2csnn2)C1 ZINC001051834092 763075626 /nfs/dbraw/zinc/07/56/26/763075626.db2.gz GRGPHGCXYCBQOV-MCIONIFRSA-N 1 2 338.433 0.446 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCNC3=O)C2)c1 ZINC001014812923 763216109 /nfs/dbraw/zinc/21/61/09/763216109.db2.gz WHWQBEOCWHIMQG-HUUCEWRRSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCNC3=O)C2)c1 ZINC001014812923 763216117 /nfs/dbraw/zinc/21/61/17/763216117.db2.gz WHWQBEOCWHIMQG-HUUCEWRRSA-N 1 2 344.390 0.914 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001014851279 763303389 /nfs/dbraw/zinc/30/33/89/763303389.db2.gz JVBONXLTUXRIJX-AAEUAGOBSA-N 1 2 340.387 0.961 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]2O)C1 ZINC000991766233 763334950 /nfs/dbraw/zinc/33/49/50/763334950.db2.gz XVQWSBDHMXGDKG-KGLIPLIRSA-N 1 2 332.404 0.317 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001014878531 763356726 /nfs/dbraw/zinc/35/67/26/763356726.db2.gz BEDIVMVGCUOOMX-RISCZKNCSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@H](C(N)=O)[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001046930329 763407715 /nfs/dbraw/zinc/40/77/15/763407715.db2.gz ZICIEGDJNWBQSO-KOLCDFICSA-N 1 2 339.346 0.447 20 30 ECEDLO C[C@H](C(N)=O)[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001046930329 763407717 /nfs/dbraw/zinc/40/77/17/763407717.db2.gz ZICIEGDJNWBQSO-KOLCDFICSA-N 1 2 339.346 0.447 20 30 ECEDLO CNC(=O)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046930862 763408604 /nfs/dbraw/zinc/40/86/04/763408604.db2.gz KSBDGJICKSNONU-LLVKDONJSA-N 1 2 339.346 0.319 20 30 ECEDLO CNC(=O)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046930862 763408608 /nfs/dbraw/zinc/40/86/08/763408608.db2.gz KSBDGJICKSNONU-LLVKDONJSA-N 1 2 339.346 0.319 20 30 ECEDLO C=CCN1CC[C@H](N2CC[NH+]([C@H]3CCN(C(=O)CCC)C3)CC2)C1=O ZINC001051971640 763483176 /nfs/dbraw/zinc/48/31/76/763483176.db2.gz XGSRSNMRZRGKNU-IRXDYDNUSA-N 1 2 348.491 0.792 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCN([C@H]3CCN(C(=O)CCC)C3)CC2)C1=O ZINC001051971640 763483181 /nfs/dbraw/zinc/48/31/81/763483181.db2.gz XGSRSNMRZRGKNU-IRXDYDNUSA-N 1 2 348.491 0.792 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C2)CC1 ZINC001051977367 763497101 /nfs/dbraw/zinc/49/71/01/763497101.db2.gz UXWCEARWXWUVCF-QGZVFWFLSA-N 1 2 328.416 0.175 20 30 ECEDLO CN1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)C1=O ZINC001031911458 763529473 /nfs/dbraw/zinc/52/94/73/763529473.db2.gz BAYMGMZLNZXMGD-HNNXBMFYSA-N 1 2 344.390 0.724 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cnn(C)c3)C2)CC1 ZINC001051992678 763537450 /nfs/dbraw/zinc/53/74/50/763537450.db2.gz GJUNFCSDWNCCBD-QGZVFWFLSA-N 1 2 331.464 0.757 20 30 ECEDLO Cc1ccnc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)n1 ZINC001051997323 763547470 /nfs/dbraw/zinc/54/74/70/763547470.db2.gz ADKFCQUVKYCRAZ-ZBFHGGJFSA-N 1 2 342.447 0.663 20 30 ECEDLO Cc1cc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)no1 ZINC001051998464 763551606 /nfs/dbraw/zinc/55/16/06/763551606.db2.gz UPVQABCYSZMYQW-CJNGLKHVSA-N 1 2 331.420 0.861 20 30 ECEDLO Cc1ncoc1C[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001051998697 763552868 /nfs/dbraw/zinc/55/28/68/763552868.db2.gz YKHURLPYPZRRPN-HIFRSBDPSA-N 1 2 331.420 0.861 20 30 ECEDLO Cc1ncoc1CN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001051998697 763552877 /nfs/dbraw/zinc/55/28/77/763552877.db2.gz YKHURLPYPZRRPN-HIFRSBDPSA-N 1 2 331.420 0.861 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@@](C)(O)C3CC3)C2)CC1 ZINC001052010722 763579081 /nfs/dbraw/zinc/57/90/81/763579081.db2.gz FBMFUZSCMGDKRS-PKOBYXMFSA-N 1 2 333.476 0.779 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)n3cncn3)C2)CC1 ZINC001052017896 763596484 /nfs/dbraw/zinc/59/64/84/763596484.db2.gz YCOMAQQHRVZWGP-HOTGVXAUSA-N 1 2 332.452 0.634 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccnc4ccnn43)C2)CC1 ZINC001052035402 763642438 /nfs/dbraw/zinc/64/24/38/763642438.db2.gz CGRSEEMQDVMZCJ-OAHLLOKOSA-N 1 2 338.415 0.195 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc4n(n3)CCC4)C2)CC1 ZINC001052035531 763643828 /nfs/dbraw/zinc/64/38/28/763643828.db2.gz LBYVGBHRJXDOBZ-MRXNPFEDSA-N 1 2 327.432 0.295 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3CCC(=O)NC3)C2)CC1 ZINC001052036697 763650451 /nfs/dbraw/zinc/65/04/51/763650451.db2.gz SRQAOWTVOQDXDM-DLBZAZTESA-N 1 2 346.475 0.145 20 30 ECEDLO C=CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3nc(CC)c[nH]3)C2)CC1 ZINC001052041415 763666790 /nfs/dbraw/zinc/66/67/90/763666790.db2.gz HNGVHXKUVBPWKF-INIZCTEOSA-N 1 2 331.464 0.919 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3OCCO[C@H]3C)C2)CC1 ZINC001052041533 763668229 /nfs/dbraw/zinc/66/82/29/763668229.db2.gz KELGGWBMVYNBDT-BBWFWOEESA-N 1 2 335.448 0.032 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cn(C)nc3COC)C2)CC1 ZINC001052044066 763677178 /nfs/dbraw/zinc/67/71/78/763677178.db2.gz BYZYSCUJVGYOPA-HNNXBMFYSA-N 1 2 345.447 0.032 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn(CCF)c3)C2)CC1 ZINC001052045360 763682365 /nfs/dbraw/zinc/68/23/65/763682365.db2.gz RNVSAVSHUAFDHU-INIZCTEOSA-N 1 2 333.411 0.318 20 30 ECEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1CNC(=O)N1 ZINC001031939686 763690445 /nfs/dbraw/zinc/69/04/45/763690445.db2.gz GBKCEIDKXJKPED-HNNXBMFYSA-N 1 2 346.818 0.421 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(Cl)n(C)n3)C2)CC1 ZINC001052048863 763699089 /nfs/dbraw/zinc/69/90/89/763699089.db2.gz DUMCECGBBKXLJL-AWEZNQCLSA-N 1 2 349.866 0.929 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3occ4c3CCOC4)C2)CC1 ZINC001052055962 763725621 /nfs/dbraw/zinc/72/56/21/763725621.db2.gz RLMBQIVWSCTRLW-OAHLLOKOSA-N 1 2 344.415 0.708 20 30 ECEDLO Cn1cc(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)[nH]c1=O ZINC001031949655 763744050 /nfs/dbraw/zinc/74/40/50/763744050.db2.gz CSGJLQKHSKJSOR-UHFFFAOYSA-N 1 2 343.362 0.998 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001015045986 763745996 /nfs/dbraw/zinc/74/59/96/763745996.db2.gz XNSPMPFYKCKKQL-ZBFHGGJFSA-N 1 2 326.400 0.775 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001015045986 763746000 /nfs/dbraw/zinc/74/60/00/763746000.db2.gz XNSPMPFYKCKKQL-ZBFHGGJFSA-N 1 2 326.400 0.775 20 30 ECEDLO C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001047177939 763770823 /nfs/dbraw/zinc/77/08/23/763770823.db2.gz ZJDXMCJNHIJXJY-UHFFFAOYSA-N 1 2 332.404 0.410 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H]([NH+]2CCN(CC(=O)NC)CC2)C1 ZINC001052078072 763788275 /nfs/dbraw/zinc/78/82/75/763788275.db2.gz ZADCSYVGDOKHIS-YJBOKZPZSA-N 1 2 336.480 0.553 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3nnn(CC)c3CC)C2)CC1 ZINC001052082111 763800941 /nfs/dbraw/zinc/80/09/41/763800941.db2.gz QHKVTAOOLUMCTC-OAHLLOKOSA-N 1 2 344.463 0.326 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3nnn(CC)c3CC)C2)CC1 ZINC001052082111 763800947 /nfs/dbraw/zinc/80/09/47/763800947.db2.gz QHKVTAOOLUMCTC-OAHLLOKOSA-N 1 2 344.463 0.326 20 30 ECEDLO C[C@H](Oc1cccnc1)C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052082626 763802640 /nfs/dbraw/zinc/80/26/40/763802640.db2.gz VAYULESPCGUCBZ-HOTGVXAUSA-N 1 2 343.431 0.591 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)Cn3cc(Cl)cn3)C2)CC1 ZINC001052087227 763817608 /nfs/dbraw/zinc/81/76/08/763817608.db2.gz PQSBPDMUKXKYLQ-HNNXBMFYSA-N 1 2 335.839 0.388 20 30 ECEDLO C#CCOCCC(=O)N(C)C[C@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001124520955 763819803 /nfs/dbraw/zinc/81/98/03/763819803.db2.gz YRNCXDZTOUOMFP-OAHLLOKOSA-N 1 2 346.431 0.934 20 30 ECEDLO CCn1cc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)c(C)n1 ZINC001052090157 763826571 /nfs/dbraw/zinc/82/65/71/763826571.db2.gz XTQULXLHMNBDRA-HNNXBMFYSA-N 1 2 330.436 0.567 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCN(CCOC)CC2)C1 ZINC001052090132 763827379 /nfs/dbraw/zinc/82/73/79/763827379.db2.gz XLUYDDRJVPJOTC-BBWFWOEESA-N 1 2 337.464 0.442 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc(C4CC4)nc3)C2)CC1 ZINC001052092572 763832910 /nfs/dbraw/zinc/83/29/10/763832910.db2.gz CDLMNGUJNMQOGH-INIZCTEOSA-N 1 2 340.431 0.710 20 30 ECEDLO Cc1ncc(Cl)c(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052093723 763837641 /nfs/dbraw/zinc/83/76/41/763837641.db2.gz RRKWZJHSOWYUHP-CYBMUJFWSA-N 1 2 348.838 0.794 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn(CC4CC4)nn3)C2)CC1 ZINC001052103907 763871076 /nfs/dbraw/zinc/87/10/76/763871076.db2.gz VVRDWVGJVKVPGM-INIZCTEOSA-N 1 2 342.447 0.153 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cn(CC4CC4)nn3)C2)CC1 ZINC001052103907 763871079 /nfs/dbraw/zinc/87/10/79/763871079.db2.gz VVRDWVGJVKVPGM-INIZCTEOSA-N 1 2 342.447 0.153 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3coc(OCC)n3)C2)C1=O ZINC001015097032 763873297 /nfs/dbraw/zinc/87/32/97/763873297.db2.gz ORFVSXLPPOFIRQ-TZMCWYRMSA-N 1 2 348.403 0.664 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3coc(OCC)n3)C2)C1=O ZINC001015097032 763873305 /nfs/dbraw/zinc/87/33/05/763873305.db2.gz ORFVSXLPPOFIRQ-TZMCWYRMSA-N 1 2 348.403 0.664 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@]3(C)CCN(C(C)=O)C3)C2)CC1 ZINC001052106273 763880438 /nfs/dbraw/zinc/88/04/38/763880438.db2.gz GXAOJAQMNQOPPW-PKOBYXMFSA-N 1 2 346.475 0.097 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3ccco3)C2)C1=O ZINC001047284460 763881165 /nfs/dbraw/zinc/88/11/65/763881165.db2.gz HQSQGLFKKJOPTL-RDBSUJKOSA-N 1 2 333.388 0.184 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3ccco3)C2)C1=O ZINC001047284460 763881173 /nfs/dbraw/zinc/88/11/73/763881173.db2.gz HQSQGLFKKJOPTL-RDBSUJKOSA-N 1 2 333.388 0.184 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)C2)CC1 ZINC001052106968 763883742 /nfs/dbraw/zinc/88/37/42/763883742.db2.gz YFYCVVAKDKRUSP-NVXWUHKLSA-N 1 2 343.475 0.919 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)Cn3cncn3)C2)CC1 ZINC001052113773 763913927 /nfs/dbraw/zinc/91/39/27/763913927.db2.gz COOLCLQUANMNGE-CQSZACIVSA-N 1 2 338.843 0.249 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(=O)[nH]c3)C2)CC1 ZINC001052114508 763916520 /nfs/dbraw/zinc/91/65/20/763916520.db2.gz LZJKWSNDRLKTOM-INIZCTEOSA-N 1 2 328.416 0.643 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)Cc3c(C)n[nH]c3C)C2)CC1 ZINC001052117473 763927904 /nfs/dbraw/zinc/92/79/04/763927904.db2.gz PJBGAZSYYGFPGB-KRWDZBQOSA-N 1 2 343.475 0.811 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@H](C)C(C)C)C[C@H]1OC ZINC001212187008 763928653 /nfs/dbraw/zinc/92/86/53/763928653.db2.gz HBCXEKZPGSSNMU-BZUAXINKSA-N 1 2 337.464 0.766 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N[C@H](C)C(C)C)C[C@H]1OC ZINC001212187008 763928655 /nfs/dbraw/zinc/92/86/55/763928655.db2.gz HBCXEKZPGSSNMU-BZUAXINKSA-N 1 2 337.464 0.766 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C2)CC1 ZINC001052117860 763930003 /nfs/dbraw/zinc/93/00/03/763930003.db2.gz FPPFCUSWDGUXPR-OAHLLOKOSA-N 1 2 345.447 0.522 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCCN3C(C)=O)C2)CC1 ZINC001052123384 763948237 /nfs/dbraw/zinc/94/82/37/763948237.db2.gz GIEJRBHSGSLNFM-ZWKOTPCHSA-N 1 2 346.475 0.239 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3nn(CC)nc3C)C2)CC1 ZINC001052124561 763952992 /nfs/dbraw/zinc/95/29/92/763952992.db2.gz DNXRCZNUVOHLMU-HNNXBMFYSA-N 1 2 332.452 0.625 20 30 ECEDLO C=CCOCC(=O)N1C[C@H](C)[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001052215886 764068135 /nfs/dbraw/zinc/06/81/35/764068135.db2.gz SONUKEJRQHMEIE-LSDHHAIUSA-N 1 2 334.420 0.687 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3[nH]ccc3C)C2)C1=O ZINC001047367246 764130760 /nfs/dbraw/zinc/13/07/60/764130760.db2.gz GHCAEQOJNZDPON-KKUMJFAQSA-N 1 2 346.431 0.227 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3[nH]ccc3C)C2)C1=O ZINC001047367246 764130762 /nfs/dbraw/zinc/13/07/62/764130762.db2.gz GHCAEQOJNZDPON-KKUMJFAQSA-N 1 2 346.431 0.227 20 30 ECEDLO C=CC(C)(C)C(=O)N(CCO)CCNc1ncnc2c1C[N@H+](C)CC2 ZINC001111537930 764147727 /nfs/dbraw/zinc/14/77/27/764147727.db2.gz UTTLQLHHDQAJCJ-UHFFFAOYSA-N 1 2 347.463 0.910 20 30 ECEDLO C=CC(C)(C)C(=O)N(CCO)CCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001111537930 764147733 /nfs/dbraw/zinc/14/77/33/764147733.db2.gz UTTLQLHHDQAJCJ-UHFFFAOYSA-N 1 2 347.463 0.910 20 30 ECEDLO C=CCOCC(=O)NCC[NH2+]Cc1nn(C)cc1Br ZINC001124768108 764229134 /nfs/dbraw/zinc/22/91/34/764229134.db2.gz TTWIFUCRMBYJFB-UHFFFAOYSA-N 1 2 331.214 0.591 20 30 ECEDLO CCN(CCNc1ccnc(C#N)n1)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001106988186 764276149 /nfs/dbraw/zinc/27/61/49/764276149.db2.gz QPVPFQJYBBFWQV-UHFFFAOYSA-N 1 2 341.419 0.971 20 30 ECEDLO N#CCOc1ccc(C[NH+]2CC(CNC(=O)c3ncn[nH]3)C2)cc1 ZINC001032060340 764372934 /nfs/dbraw/zinc/37/29/34/764372934.db2.gz OHCFBIPYEZXOGE-UHFFFAOYSA-N 1 2 326.360 0.569 20 30 ECEDLO N#CCOc1ccc(C[NH+]2CC(CNC(=O)c3nc[nH]n3)C2)cc1 ZINC001032060340 764372941 /nfs/dbraw/zinc/37/29/41/764372941.db2.gz OHCFBIPYEZXOGE-UHFFFAOYSA-N 1 2 326.360 0.569 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(-c3ncc[nH]3)n2)C1 ZINC001047462506 764418247 /nfs/dbraw/zinc/41/82/47/764418247.db2.gz GKGIXXNVAMLTPT-STQMWFEESA-N 1 2 345.428 0.674 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc(-c3ncc[nH]3)n2)C1 ZINC001047462506 764418250 /nfs/dbraw/zinc/41/82/50/764418250.db2.gz GKGIXXNVAMLTPT-STQMWFEESA-N 1 2 345.428 0.674 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccnn3C)[C@@H]2C)nn1 ZINC001088910701 764428990 /nfs/dbraw/zinc/42/89/90/764428990.db2.gz AWWGFJQLTBCRGS-HIFRSBDPSA-N 1 2 343.435 0.981 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccnn3C)[C@@H]2C)nn1 ZINC001088910701 764428997 /nfs/dbraw/zinc/42/89/97/764428997.db2.gz AWWGFJQLTBCRGS-HIFRSBDPSA-N 1 2 343.435 0.981 20 30 ECEDLO C[C@@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CNC(=O)C1 ZINC001015374724 764470730 /nfs/dbraw/zinc/47/07/30/764470730.db2.gz GKTLNGNQHVWMRP-KDOFPFPSSA-N 1 2 344.390 0.914 20 30 ECEDLO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CNC(=O)C1 ZINC001015374724 764470735 /nfs/dbraw/zinc/47/07/35/764470735.db2.gz GKTLNGNQHVWMRP-KDOFPFPSSA-N 1 2 344.390 0.914 20 30 ECEDLO Cc1c[nH]c(C(=O)N(C)[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)n1 ZINC001047558366 764691130 /nfs/dbraw/zinc/69/11/30/764691130.db2.gz MVYVQMJLYXETPL-KBPBESRZSA-N 1 2 345.428 0.969 20 30 ECEDLO Cc1c[nH]c(C(=O)N(C)[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)n1 ZINC001047558366 764691139 /nfs/dbraw/zinc/69/11/39/764691139.db2.gz MVYVQMJLYXETPL-KBPBESRZSA-N 1 2 345.428 0.969 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2ccnn2C)C[C@@H]1O ZINC001047561861 764696977 /nfs/dbraw/zinc/69/69/77/764696977.db2.gz ZIGISMUGUWJTJC-QAETUUGQSA-N 1 2 348.447 0.405 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2ccnn2C)C[C@@H]1O ZINC001047561861 764696982 /nfs/dbraw/zinc/69/69/82/764696982.db2.gz ZIGISMUGUWJTJC-QAETUUGQSA-N 1 2 348.447 0.405 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)cn2)C[C@H]1OC ZINC001212194001 764759769 /nfs/dbraw/zinc/75/97/69/764759769.db2.gz MESJQTQMDLAPHX-INMHGKMJSA-N 1 2 334.420 0.428 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)cn2)C[C@H]1OC ZINC001212194001 764759780 /nfs/dbraw/zinc/75/97/80/764759780.db2.gz MESJQTQMDLAPHX-INMHGKMJSA-N 1 2 334.420 0.428 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2scc3c2OCCO3)C1 ZINC001047584845 764779074 /nfs/dbraw/zinc/77/90/74/764779074.db2.gz DBYVKRFMOAWRLY-RYUDHWBXSA-N 1 2 336.413 0.660 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2scc3c2OCCO3)C1 ZINC001047584845 764779078 /nfs/dbraw/zinc/77/90/78/764779078.db2.gz DBYVKRFMOAWRLY-RYUDHWBXSA-N 1 2 336.413 0.660 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3[nH]ncc3F)CC2)C1=O ZINC001052691756 764996560 /nfs/dbraw/zinc/99/65/60/764996560.db2.gz YHJCVMKIZURGBQ-GXTWGEPZSA-N 1 2 349.410 0.920 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3[nH]ncc3F)CC2)C1=O ZINC001052691756 764996568 /nfs/dbraw/zinc/99/65/68/764996568.db2.gz YHJCVMKIZURGBQ-GXTWGEPZSA-N 1 2 349.410 0.920 20 30 ECEDLO C[C@H](CCNc1ccnc(C#N)n1)NC(=O)CCc1c[nH+]cn1C ZINC001106406772 768260080 /nfs/dbraw/zinc/26/00/80/768260080.db2.gz YESRTRATNRKCMA-GFCCVEGCSA-N 1 2 327.392 0.443 20 30 ECEDLO COCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ncccc2C#N)C1 ZINC001052718807 765039987 /nfs/dbraw/zinc/03/99/87/765039987.db2.gz QXIUQNTWMFQKFI-ZIAGYGMSSA-N 1 2 340.387 0.740 20 30 ECEDLO C#CCC[N@H+]1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001052799463 765143465 /nfs/dbraw/zinc/14/34/65/765143465.db2.gz MUCLQTOVNNMRRU-ZDUSSCGKSA-N 1 2 342.403 0.065 20 30 ECEDLO C#CCC[N@@H+]1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001052799463 765143468 /nfs/dbraw/zinc/14/34/68/765143468.db2.gz MUCLQTOVNNMRRU-ZDUSSCGKSA-N 1 2 342.403 0.065 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NCC2CC(NC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000992010462 765146689 /nfs/dbraw/zinc/14/66/89/765146689.db2.gz ZGMXVTCQEHIOAU-UHFFFAOYSA-N 1 2 326.360 0.477 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)C2)c1 ZINC001015678630 765150699 /nfs/dbraw/zinc/15/06/99/765150699.db2.gz LGLJXBGJEMFOCF-ZBFHGGJFSA-N 1 2 347.440 0.302 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)C2)c1 ZINC001015678630 765150702 /nfs/dbraw/zinc/15/07/02/765150702.db2.gz LGLJXBGJEMFOCF-ZBFHGGJFSA-N 1 2 347.440 0.302 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1CNC(=O)CSCC#N ZINC001052812704 765166260 /nfs/dbraw/zinc/16/62/60/765166260.db2.gz ASZMTMPFAGTLFY-OLZOCXBDSA-N 1 2 349.460 0.810 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1CNC(=O)CSCC#N ZINC001052812704 765166263 /nfs/dbraw/zinc/16/62/63/765166263.db2.gz ASZMTMPFAGTLFY-OLZOCXBDSA-N 1 2 349.460 0.810 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000992026888 765202845 /nfs/dbraw/zinc/20/28/45/765202845.db2.gz JIMRBIOIWYJRCF-BBRMVZONSA-N 1 2 332.404 0.651 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](C)OCCOCC)C2)nn1 ZINC001098785623 768276117 /nfs/dbraw/zinc/27/61/17/768276117.db2.gz WDUKCDVLSGFEFJ-GDBMZVCRSA-N 1 2 349.435 0.216 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCCC3)C2)nn1 ZINC001015821339 765383284 /nfs/dbraw/zinc/38/32/84/765383284.db2.gz UJRHZKVKNYODMH-AWEZNQCLSA-N 1 2 346.435 0.281 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)nn1 ZINC001015821339 765383295 /nfs/dbraw/zinc/38/32/95/765383295.db2.gz UJRHZKVKNYODMH-AWEZNQCLSA-N 1 2 346.435 0.281 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3conc3COC)C2)C1=O ZINC001015981391 765660053 /nfs/dbraw/zinc/66/00/53/765660053.db2.gz PLAMOHRJHQRXTL-WFASDCNBSA-N 1 2 348.403 0.412 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3conc3COC)C2)C1=O ZINC001015981391 765660061 /nfs/dbraw/zinc/66/00/61/765660061.db2.gz PLAMOHRJHQRXTL-WFASDCNBSA-N 1 2 348.403 0.412 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001077497938 765704925 /nfs/dbraw/zinc/70/49/25/765704925.db2.gz AESFBXWYKLXUPL-CFVMTHIKSA-N 1 2 334.420 0.565 20 30 ECEDLO N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)nc1 ZINC001106104518 765750789 /nfs/dbraw/zinc/75/07/89/765750789.db2.gz NKIGOLLERJSZMF-QWHCGFSZSA-N 1 2 340.387 0.685 20 30 ECEDLO N#Cc1cccnc1NC[C@@H](O)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001106105449 765762694 /nfs/dbraw/zinc/76/26/94/765762694.db2.gz UMSSYOYWYYHFNA-OLZOCXBDSA-N 1 2 340.387 0.685 20 30 ECEDLO CC#CCN1CC2(C1)CN(C(=O)Cc1cn3c([nH+]1)CCCC3)CCO2 ZINC001053263899 765866435 /nfs/dbraw/zinc/86/64/35/765866435.db2.gz ZEOPDZRZMHIXRZ-UHFFFAOYSA-N 1 2 342.443 0.698 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCc3nccn3C1)CCO2 ZINC001053313983 765953700 /nfs/dbraw/zinc/95/37/00/765953700.db2.gz JCOUCVRDEQCGIQ-HNNXBMFYSA-N 1 2 330.432 0.935 20 30 ECEDLO C=CCN1CC2(C1)CN(C(=O)[C@@H]1CCc3[nH+]c(C)[nH]c3C1)CCO2 ZINC001053316412 765957955 /nfs/dbraw/zinc/95/79/55/765957955.db2.gz RDGDVKFXQADEFP-CQSZACIVSA-N 1 2 330.432 0.922 20 30 ECEDLO C=CCN1CC2(C1)CN(C(=O)[C@@H]1CCc3[nH]c(C)[nH+]c3C1)CCO2 ZINC001053316412 765957962 /nfs/dbraw/zinc/95/79/62/765957962.db2.gz RDGDVKFXQADEFP-CQSZACIVSA-N 1 2 330.432 0.922 20 30 ECEDLO C#CCN1CC2(C1)CN(C(=O)[C@H]1COCC[N@@H+]1CC1CCC1)CCO2 ZINC001053359707 766030674 /nfs/dbraw/zinc/03/06/74/766030674.db2.gz SEVZWRFYQUCHSE-QGZVFWFLSA-N 1 2 347.459 0.034 20 30 ECEDLO C#CCN1CC2(C1)CN(C(=O)[C@H]1COCC[N@H+]1CC1CCC1)CCO2 ZINC001053359707 766030677 /nfs/dbraw/zinc/03/06/77/766030677.db2.gz SEVZWRFYQUCHSE-QGZVFWFLSA-N 1 2 347.459 0.034 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cccn3c(=O)[nH]nc13)CCO2 ZINC001053506877 766255338 /nfs/dbraw/zinc/25/53/38/766255338.db2.gz UBEPZIDFDXWPJE-UHFFFAOYSA-N 1 2 343.387 0.538 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@H]1CCCCC(=O)N1)CCO2 ZINC001053517309 766269158 /nfs/dbraw/zinc/26/91/58/766269158.db2.gz NRKNMXQPXBDFDZ-OAHLLOKOSA-N 1 2 335.448 0.925 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)C[C@@H]2O)cc1 ZINC001083691386 766363752 /nfs/dbraw/zinc/36/37/52/766363752.db2.gz MULGULGLRVFMSM-JLZZUVOBSA-N 1 2 341.411 0.110 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC3CC3)C[C@@H]2O)cc1 ZINC001083691386 766363762 /nfs/dbraw/zinc/36/37/62/766363762.db2.gz MULGULGLRVFMSM-JLZZUVOBSA-N 1 2 341.411 0.110 20 30 ECEDLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C#CC1CC1 ZINC001212250658 766410217 /nfs/dbraw/zinc/41/02/17/766410217.db2.gz DSPZFYJUCXHCAD-NWANDNLSSA-N 1 2 335.448 0.518 20 30 ECEDLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1NC(=O)C#CC1CC1 ZINC001212250658 766410222 /nfs/dbraw/zinc/41/02/22/766410222.db2.gz DSPZFYJUCXHCAD-NWANDNLSSA-N 1 2 335.448 0.518 20 30 ECEDLO CO[C@@H]1C[N@@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C#CC1CC1 ZINC001212251127 766425373 /nfs/dbraw/zinc/42/53/73/766425373.db2.gz QNTOYDJPEQJRJI-OWCLPIDISA-N 1 2 333.432 0.225 20 30 ECEDLO CO[C@@H]1C[N@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C#CC1CC1 ZINC001212251127 766425383 /nfs/dbraw/zinc/42/53/83/766425383.db2.gz QNTOYDJPEQJRJI-OWCLPIDISA-N 1 2 333.432 0.225 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C(N)=O)cn1C)O2 ZINC001053626620 766470089 /nfs/dbraw/zinc/47/00/89/766470089.db2.gz ASHDLZDHCLJXOT-CYBMUJFWSA-N 1 2 332.404 0.273 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccc(=O)n1C)O2 ZINC001053657032 766525555 /nfs/dbraw/zinc/52/55/55/766525555.db2.gz FDODGWANLSBNLP-AWEZNQCLSA-N 1 2 331.416 0.925 20 30 ECEDLO Cn1ncnc1C[NH+]1CCC2(C[C@H]2NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001016587397 766546062 /nfs/dbraw/zinc/54/60/62/766546062.db2.gz LKSRVKACXFJZCQ-CQSZACIVSA-N 1 2 339.403 0.799 20 30 ECEDLO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCc3n[nH]nc3C1)O2 ZINC001053686594 766588876 /nfs/dbraw/zinc/58/88/76/766588876.db2.gz UMWCVRNCUFILRY-KBPBESRZSA-N 1 2 343.431 0.283 20 30 ECEDLO C[C@H](CC(=O)NC[C@H](O)CNc1ccncc1C#N)n1cc[nH+]c1 ZINC001106131700 766589690 /nfs/dbraw/zinc/58/96/90/766589690.db2.gz HXJAYPDZMUXGNK-TZMCWYRMSA-N 1 2 328.376 0.112 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(C(N)=O)cc1)O2 ZINC001053696466 766609842 /nfs/dbraw/zinc/60/98/42/766609842.db2.gz JMFUREGTKDPQEP-OAHLLOKOSA-N 1 2 329.400 0.935 20 30 ECEDLO CCc1nnc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)o1 ZINC001046011550 766636004 /nfs/dbraw/zinc/63/60/04/766636004.db2.gz DTWXGZKQQSBHRD-UONOGXRCSA-N 1 2 346.435 0.510 20 30 ECEDLO CCc1nnc(C[N@H+]2CC[C@@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)o1 ZINC001046011550 766636010 /nfs/dbraw/zinc/63/60/10/766636010.db2.gz DTWXGZKQQSBHRD-UONOGXRCSA-N 1 2 346.435 0.510 20 30 ECEDLO Cc1nc(C[N@H+]2CC[C@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)co1 ZINC001046011246 766636063 /nfs/dbraw/zinc/63/60/63/766636063.db2.gz AZZOJGTWMZBUPP-BBRMVZONSA-N 1 2 331.420 0.861 20 30 ECEDLO Cc1nc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)co1 ZINC001046011246 766636067 /nfs/dbraw/zinc/63/60/67/766636067.db2.gz AZZOJGTWMZBUPP-BBRMVZONSA-N 1 2 331.420 0.861 20 30 ECEDLO Cc1nnc(C[N@H+]2CC[C@@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)s1 ZINC001046013368 766642377 /nfs/dbraw/zinc/64/23/77/766642377.db2.gz XJVUWBFIDKEXOP-TZMCWYRMSA-N 1 2 348.476 0.725 20 30 ECEDLO Cc1nnc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)s1 ZINC001046013368 766642386 /nfs/dbraw/zinc/64/23/86/766642386.db2.gz XJVUWBFIDKEXOP-TZMCWYRMSA-N 1 2 348.476 0.725 20 30 ECEDLO CN1C[C@@H](C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)CC1=O ZINC001031710039 766668885 /nfs/dbraw/zinc/66/88/85/766668885.db2.gz VFXSVIXPRPDGND-HNNXBMFYSA-N 1 2 344.390 0.724 20 30 ECEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001031711811 766689627 /nfs/dbraw/zinc/68/96/27/766689627.db2.gz LIDCDNIFCNLSKN-ZDUSSCGKSA-N 1 2 329.828 0.282 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@H]3CCCc4cn[nH]c43)CC2)C1 ZINC001046029936 766694952 /nfs/dbraw/zinc/69/49/52/766694952.db2.gz GJDUDRIYHBVTBK-HOTGVXAUSA-N 1 2 342.447 0.572 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3CCCc4cn[nH]c43)CC2)C1 ZINC001046029938 766695701 /nfs/dbraw/zinc/69/57/01/766695701.db2.gz GJDUDRIYHBVTBK-JKSUJKDBSA-N 1 2 342.447 0.572 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)C3(c4ccccn4)CC3)CC2)C1 ZINC001046030711 766698239 /nfs/dbraw/zinc/69/82/39/766698239.db2.gz ZIRJOFYMBYLIHU-MRXNPFEDSA-N 1 2 339.443 0.855 20 30 ECEDLO CCCn1nccc1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046032856 766707370 /nfs/dbraw/zinc/70/73/70/766707370.db2.gz IZBDVMYEOGWBNI-HNNXBMFYSA-N 1 2 330.436 0.649 20 30 ECEDLO Cn1cc(Cl)c(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)n1 ZINC001046032922 766707610 /nfs/dbraw/zinc/70/76/10/766707610.db2.gz KATLNLZFWJXEDT-GFCCVEGCSA-N 1 2 336.827 0.429 20 30 ECEDLO CCn1ccc(CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)n1 ZINC001046033131 766708502 /nfs/dbraw/zinc/70/85/02/766708502.db2.gz SNIJFGPPEOQTDE-INIZCTEOSA-N 1 2 330.436 0.188 20 30 ECEDLO CCOc1ccc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)cn1 ZINC001046034693 766716682 /nfs/dbraw/zinc/71/66/82/766716682.db2.gz XSORDSMSHJSTMH-MRXNPFEDSA-N 1 2 343.431 0.836 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3ccc4cc[nH]c4n3)CC2)C1 ZINC001046036882 766729854 /nfs/dbraw/zinc/72/98/54/766729854.db2.gz IJYCPQXYKLAOFB-HNNXBMFYSA-N 1 2 338.415 0.919 20 30 ECEDLO CCc1nn(C)cc1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046037710 766734974 /nfs/dbraw/zinc/73/49/74/766734974.db2.gz WSEFONGVSVDYJH-AWEZNQCLSA-N 1 2 330.436 0.338 20 30 ECEDLO CN(C)c1ccc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)cn1 ZINC001046042794 766757705 /nfs/dbraw/zinc/75/77/05/766757705.db2.gz MYVPLZCJAGACGF-INIZCTEOSA-N 1 2 342.447 0.503 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001046047428 766777568 /nfs/dbraw/zinc/77/75/68/766777568.db2.gz PDNJOBNASMVGEV-JHMPBIJASA-N 1 2 330.432 0.152 20 30 ECEDLO Cc1cc(C)n(CCC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)n1 ZINC001046049909 766784529 /nfs/dbraw/zinc/78/45/29/766784529.db2.gz ZZUFIMWOYNGOKD-KRWDZBQOSA-N 1 2 344.463 0.632 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)CCc3ccccn3)CC2)C1 ZINC001046050174 766786302 /nfs/dbraw/zinc/78/63/02/766786302.db2.gz GNQIQFXBVJZEMJ-KRWDZBQOSA-N 1 2 327.432 0.756 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cccc4cn[nH]c43)CC2)C1 ZINC001046051036 766789487 /nfs/dbraw/zinc/78/94/87/766789487.db2.gz VDFGDXODTAPGDE-OAHLLOKOSA-N 1 2 338.415 0.919 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cccc4c[nH]nc43)CC2)C1 ZINC001046051036 766789491 /nfs/dbraw/zinc/78/94/91/766789491.db2.gz VDFGDXODTAPGDE-OAHLLOKOSA-N 1 2 338.415 0.919 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(Cc3cnn(C)n3)C2)CC1 ZINC001046051655 766792124 /nfs/dbraw/zinc/79/21/24/766792124.db2.gz MHRYDUVQYIQGCV-INIZCTEOSA-N 1 2 346.479 0.746 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3cnn(C)n3)C2)CC1 ZINC001046051655 766792126 /nfs/dbraw/zinc/79/21/26/766792126.db2.gz MHRYDUVQYIQGCV-INIZCTEOSA-N 1 2 346.479 0.746 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCN([C@H]2CC[N@H+](Cc3cnn(C)n3)C2)CC1 ZINC001046051655 766792130 /nfs/dbraw/zinc/79/21/30/766792130.db2.gz MHRYDUVQYIQGCV-INIZCTEOSA-N 1 2 346.479 0.746 20 30 ECEDLO Cn1c[nH+]cc1CN1CC2(C1)C[C@H](NC(=O)c1cc(C#N)c[nH]1)CO2 ZINC001053769774 766796138 /nfs/dbraw/zinc/79/61/38/766796138.db2.gz HXZCDRARQPJDQF-ZDUSSCGKSA-N 1 2 340.387 0.393 20 30 ECEDLO CCc1c(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)ccn1C ZINC001046063872 766839905 /nfs/dbraw/zinc/83/99/05/766839905.db2.gz AITDSDKTTKKSLG-OAHLLOKOSA-N 1 2 329.448 0.943 20 30 ECEDLO COc1nc(C)ccc1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046068203 766861410 /nfs/dbraw/zinc/86/14/10/766861410.db2.gz GRPWLTNPOXGWMH-OAHLLOKOSA-N 1 2 343.431 0.754 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(F)F)C1 ZINC001047268566 766874225 /nfs/dbraw/zinc/87/42/25/766874225.db2.gz RIQLLRMHDRKZOB-STQMWFEESA-N 1 2 339.342 0.835 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(F)F)C1 ZINC001047268566 766874235 /nfs/dbraw/zinc/87/42/35/766874235.db2.gz RIQLLRMHDRKZOB-STQMWFEESA-N 1 2 339.342 0.835 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cccn4ccnc34)CC2)C1 ZINC001046070369 766874362 /nfs/dbraw/zinc/87/43/62/766874362.db2.gz TUDCVVFWPHCTCN-OAHLLOKOSA-N 1 2 338.415 0.690 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cn(CC4CC4)nn3)CC2)C1 ZINC001046075041 766893101 /nfs/dbraw/zinc/89/31/01/766893101.db2.gz NOZCEUDAZKPIBA-OAHLLOKOSA-N 1 2 343.435 0.044 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](O)CNc1ncccc1C#N ZINC001106135187 766900080 /nfs/dbraw/zinc/90/00/80/766900080.db2.gz OERBMVFFPNYDON-FZMZJTMJSA-N 1 2 328.376 0.444 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](O)CNc1ncccc1C#N ZINC001106135187 766900089 /nfs/dbraw/zinc/90/00/89/766900089.db2.gz OERBMVFFPNYDON-FZMZJTMJSA-N 1 2 328.376 0.444 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)CCc3nccs3)CC2)C1 ZINC001046084099 766924490 /nfs/dbraw/zinc/92/44/90/766924490.db2.gz JSHXPPZIOJHKFX-AWEZNQCLSA-N 1 2 333.461 0.818 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)CCc3cncc(F)c3)CC2)C1 ZINC001046089383 766930934 /nfs/dbraw/zinc/93/09/34/766930934.db2.gz CHIXIOKXUSOYRG-KRWDZBQOSA-N 1 2 345.422 0.895 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)c2c(C)nn(C)c2C)C1=O ZINC001038569738 766938305 /nfs/dbraw/zinc/93/83/05/766938305.db2.gz UWJMPEIARTYEHD-HUUCEWRRSA-N 1 2 345.447 0.628 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)c2c(C)nn(C)c2C)C1=O ZINC001038569738 766938312 /nfs/dbraw/zinc/93/83/12/766938312.db2.gz UWJMPEIARTYEHD-HUUCEWRRSA-N 1 2 345.447 0.628 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3csc(C)n3)C2)nn1 ZINC001098779576 766947416 /nfs/dbraw/zinc/94/74/16/766947416.db2.gz IAPJOZUGLFWIHD-OAHLLOKOSA-N 1 2 344.444 0.782 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnn3ncccc13)CO2 ZINC001053830893 766964889 /nfs/dbraw/zinc/96/48/89/766964889.db2.gz NZOZSXAGHRAQFE-ZDUSSCGKSA-N 1 2 325.372 0.326 20 30 ECEDLO CCN(c1cnc(C#N)cn1)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001089674710 766991049 /nfs/dbraw/zinc/99/10/49/766991049.db2.gz RENNYSXSJJHSLM-LLVKDONJSA-N 1 2 327.392 0.954 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3cn(C)nc3C)C[C@@H]2O)c1 ZINC001083765286 766996072 /nfs/dbraw/zinc/99/60/72/766996072.db2.gz WTEBONKIDUKGRM-SJORKVTESA-N 1 2 339.399 0.080 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3cn(C)nc3C)C[C@@H]2O)c1 ZINC001083765286 766996081 /nfs/dbraw/zinc/99/60/81/766996081.db2.gz WTEBONKIDUKGRM-SJORKVTESA-N 1 2 339.399 0.080 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ncnc3[nH]ccc31)CO2 ZINC001053857924 767043932 /nfs/dbraw/zinc/04/39/32/767043932.db2.gz RUUAALZSNPCROM-GFCCVEGCSA-N 1 2 325.372 0.506 20 30 ECEDLO C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)c1cn(C)ccc1=O)CO2 ZINC001053867558 767078366 /nfs/dbraw/zinc/07/83/66/767078366.db2.gz NGWBRGNHHKYNSR-AWEZNQCLSA-N 1 2 331.416 0.925 20 30 ECEDLO C=C(Br)CN1CC[C@](C)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046217967 767082166 /nfs/dbraw/zinc/08/21/66/767082166.db2.gz IQUSQQYEGDBNPC-OCCSQVGLSA-N 1 2 346.269 0.806 20 30 ECEDLO C=C(Br)CN1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046217967 767082178 /nfs/dbraw/zinc/08/21/78/767082178.db2.gz IQUSQQYEGDBNPC-OCCSQVGLSA-N 1 2 346.269 0.806 20 30 ECEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001031748621 767141753 /nfs/dbraw/zinc/14/17/53/767141753.db2.gz CWFQOHFITYNIIN-MRXNPFEDSA-N 1 2 326.400 0.632 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001046372118 767177441 /nfs/dbraw/zinc/17/74/41/767177441.db2.gz ZGIJOQNRHNXKFK-GFCCVEGCSA-N 1 2 346.431 0.731 20 30 ECEDLO C=CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001046376694 767180520 /nfs/dbraw/zinc/18/05/20/767180520.db2.gz WXHWMLKJJFPSDS-GFCCVEGCSA-N 1 2 332.404 0.485 20 30 ECEDLO N#CCN1CC2(C1)C[C@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)CO2 ZINC001053904310 767312694 /nfs/dbraw/zinc/31/26/94/767312694.db2.gz KKKUAAINWOMBEY-GOEBONIOSA-N 1 2 348.447 0.113 20 30 ECEDLO N#CCN1CC2(C1)C[C@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)CO2 ZINC001053904310 767312701 /nfs/dbraw/zinc/31/27/01/767312701.db2.gz KKKUAAINWOMBEY-GOEBONIOSA-N 1 2 348.447 0.113 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nccn3ccnc13)CO2 ZINC001053930118 767391402 /nfs/dbraw/zinc/39/14/02/767391402.db2.gz PDUWQSPFAHMCHX-CYBMUJFWSA-N 1 2 325.372 0.326 20 30 ECEDLO N#Cc1ccc(N2CC=C(CCNC(=O)Cn3cc[nH+]c3)CC2)nn1 ZINC001089834217 767418315 /nfs/dbraw/zinc/41/83/15/767418315.db2.gz FOLURPNKTCGHMA-UHFFFAOYSA-N 1 2 337.387 0.888 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@H]2COC3(C[NH+](CCCO)C3)C2)cc1 ZINC001053945997 767423556 /nfs/dbraw/zinc/42/35/56/767423556.db2.gz LDTWQFJXNQDYGW-MRXNPFEDSA-N 1 2 344.411 0.654 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C3CC4(CC4)C3)[C@@H](O)C2)C1=O ZINC001083768277 767426285 /nfs/dbraw/zinc/42/62/85/767426285.db2.gz SFWLVKOAEHFRHO-ILXRZTDVSA-N 1 2 333.432 0.125 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C3CC4(CC4)C3)[C@@H](O)C2)C1=O ZINC001083768277 767426286 /nfs/dbraw/zinc/42/62/86/767426286.db2.gz SFWLVKOAEHFRHO-ILXRZTDVSA-N 1 2 333.432 0.125 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2COC3(C[NH+](C[C@@H](C)OC)C3)C2)nn1 ZINC001053949203 767432217 /nfs/dbraw/zinc/43/22/17/767432217.db2.gz AKQMVOPTAVICHK-CHWSQXEVSA-N 1 2 335.408 0.072 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)NC[C@H](O)CNc1ncccc1C#N ZINC001106172322 767472210 /nfs/dbraw/zinc/47/22/10/767472210.db2.gz YMYSIKHPFPBJAM-AWEZNQCLSA-N 1 2 341.371 0.489 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O)CO2 ZINC001053965864 767477113 /nfs/dbraw/zinc/47/71/13/767477113.db2.gz CDSDFEGXYWAARE-GFCCVEGCSA-N 1 2 348.403 0.274 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1c(OC)cc[nH]c1=O)CO2 ZINC001053982787 767527565 /nfs/dbraw/zinc/52/75/65/767527565.db2.gz BUTGVPXODGDACG-GFCCVEGCSA-N 1 2 333.388 0.945 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@H]1COC2(C[NH+](CCOC)C2)C1 ZINC001053993611 767549371 /nfs/dbraw/zinc/54/93/71/767549371.db2.gz PWOQSWFDRWLJTN-QGZVFWFLSA-N 1 2 328.412 0.816 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@@H]1COC2(C[NH+](CCCO)C2)C1 ZINC001053993942 767550588 /nfs/dbraw/zinc/55/05/88/767550588.db2.gz XPVCBOMHCMGXLL-KRWDZBQOSA-N 1 2 328.412 0.552 20 30 ECEDLO CCCn1nnnc1C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)C#N)C1 ZINC001017073310 767551129 /nfs/dbraw/zinc/55/11/29/767551129.db2.gz YJBAPIVYMIBBML-UONOGXRCSA-N 1 2 333.440 0.913 20 30 ECEDLO CCCn1nnnc1C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)C#N)C1 ZINC001017073310 767551134 /nfs/dbraw/zinc/55/11/34/767551134.db2.gz YJBAPIVYMIBBML-UONOGXRCSA-N 1 2 333.440 0.913 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc3c([nH]c1=O)CCC3)CO2 ZINC001054005484 767574827 /nfs/dbraw/zinc/57/48/27/767574827.db2.gz DSMGHONWLARMCN-CQSZACIVSA-N 1 2 341.411 0.872 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cc1nc3ncccn3n1)CO2 ZINC001054007144 767578773 /nfs/dbraw/zinc/57/87/73/767578773.db2.gz XZDFTHYYPGRWAN-ZDUSSCGKSA-N 1 2 342.403 0.202 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CC(N(C)C(=O)Cc3c[nH+]c[nH]3)C2)cn1 ZINC001017104135 767589003 /nfs/dbraw/zinc/58/90/03/767589003.db2.gz VDEXJMWTUAQLQB-UHFFFAOYSA-N 1 2 337.383 0.748 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3nnc(C)n3C1)CO2 ZINC001054014467 767600499 /nfs/dbraw/zinc/60/04/99/767600499.db2.gz BHYOWBIKJDEMQJ-GJZGRUSLSA-N 1 2 345.447 0.685 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)N1CCCCC1=O)CO2 ZINC001054016410 767607603 /nfs/dbraw/zinc/60/76/03/767607603.db2.gz BUJOIKMQKUAEPX-LSDHHAIUSA-N 1 2 333.432 0.370 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1COCCN1CC ZINC001054044984 767644422 /nfs/dbraw/zinc/64/44/22/767644422.db2.gz IVTIYGWYQILZPX-RTBURBONSA-N 1 2 341.455 0.883 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1COCCN1CC ZINC001054044984 767644426 /nfs/dbraw/zinc/64/44/26/767644426.db2.gz IVTIYGWYQILZPX-RTBURBONSA-N 1 2 341.455 0.883 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccn2nnnc2c1 ZINC001054048813 767648068 /nfs/dbraw/zinc/64/80/68/767648068.db2.gz JLAFIMBSKRFIIV-QGZVFWFLSA-N 1 2 346.394 0.914 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccn2nnnc2c1 ZINC001054048813 767648072 /nfs/dbraw/zinc/64/80/72/767648072.db2.gz JLAFIMBSKRFIIV-QGZVFWFLSA-N 1 2 346.394 0.914 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001054058970 767656076 /nfs/dbraw/zinc/65/60/76/767656076.db2.gz CEFFEMREXOQYMN-MRXNPFEDSA-N 1 2 336.395 0.904 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001054058970 767656082 /nfs/dbraw/zinc/65/60/82/767656082.db2.gz CEFFEMREXOQYMN-MRXNPFEDSA-N 1 2 336.395 0.904 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cn(C)c(=O)n1C ZINC001054060167 767657266 /nfs/dbraw/zinc/65/72/66/767657266.db2.gz IESQBCGMMVSNDP-MRXNPFEDSA-N 1 2 338.411 0.514 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cn(C)c(=O)n1C ZINC001054060167 767657272 /nfs/dbraw/zinc/65/72/72/767657272.db2.gz IESQBCGMMVSNDP-MRXNPFEDSA-N 1 2 338.411 0.514 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001046545376 767815022 /nfs/dbraw/zinc/81/50/22/767815022.db2.gz JEVAUEISWYKEBY-FZMZJTMJSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001046545376 767815015 /nfs/dbraw/zinc/81/50/15/767815015.db2.gz JEVAUEISWYKEBY-FZMZJTMJSA-N 1 2 344.253 0.954 20 30 ECEDLO C[C@@H](CCNc1ccnc(C#N)n1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001106591901 768474166 /nfs/dbraw/zinc/47/41/66/768474166.db2.gz AHMCCYOQULQSCQ-STQMWFEESA-N 1 2 327.392 0.925 20 30 ECEDLO N#Cc1cnccc1N[C@@H]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001060534837 768555784 /nfs/dbraw/zinc/55/57/84/768555784.db2.gz GNUUPTPFCKDQTG-YSVLISHTSA-N 1 2 336.399 0.921 20 30 ECEDLO N#Cc1cnc(N[C@@H]2CC[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)cn1 ZINC001060534702 768560373 /nfs/dbraw/zinc/56/03/73/768560373.db2.gz DISMNJGLASPLQQ-AEGPPILISA-N 1 2 337.387 0.894 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001055225124 768683120 /nfs/dbraw/zinc/68/31/20/768683120.db2.gz YPSHOQLKBMFIDF-SOUVJXGZSA-N 1 2 346.431 0.850 20 30 ECEDLO N#Cc1ccc(N2C[C@@H]3CCC[C@]3(NC(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001055541898 769065846 /nfs/dbraw/zinc/06/58/46/769065846.db2.gz VYBCVBSLBZRDBK-GUYCJALGSA-N 1 2 337.387 0.720 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)C3=COCCO3)C2)CC1 ZINC001018359107 769188745 /nfs/dbraw/zinc/18/87/45/769188745.db2.gz YZQZVYIDWDSLJQ-OAHLLOKOSA-N 1 2 349.431 0.443 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@@H](OC)C3CC3)C2)CC1 ZINC001018364021 769204640 /nfs/dbraw/zinc/20/46/40/769204640.db2.gz AMRYGWDQZXHSJD-SJORKVTESA-N 1 2 349.475 0.980 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)C3=CCOCC3)C2)CC1 ZINC001018364117 769204733 /nfs/dbraw/zinc/20/47/33/769204733.db2.gz QQFCTIIHYVXZDG-KRWDZBQOSA-N 1 2 347.459 0.902 20 30 ECEDLO C=C(C)CCC(=O)NC1CC[NH+](CCNC(=O)c2cn[nH]n2)CC1 ZINC001055598156 769222344 /nfs/dbraw/zinc/22/23/44/769222344.db2.gz JHTKZPLMNACGME-UHFFFAOYSA-N 1 2 334.424 0.471 20 30 ECEDLO C=C(C)CCC(=O)NC1CC[NH+](CCNC(=O)c2cnn[nH]2)CC1 ZINC001055598156 769222346 /nfs/dbraw/zinc/22/23/46/769222346.db2.gz JHTKZPLMNACGME-UHFFFAOYSA-N 1 2 334.424 0.471 20 30 ECEDLO C=C1CC(C)(C(=O)NC2CC[NH+](CCNC(=O)c3cn[nH]n3)CC2)C1 ZINC001055598291 769222382 /nfs/dbraw/zinc/22/23/82/769222382.db2.gz OECMILDFPHAXPH-UHFFFAOYSA-N 1 2 346.435 0.471 20 30 ECEDLO C=C1CC(C)(C(=O)NC2CC[NH+](CCNC(=O)c3cnn[nH]3)CC2)C1 ZINC001055598291 769222384 /nfs/dbraw/zinc/22/23/84/769222384.db2.gz OECMILDFPHAXPH-UHFFFAOYSA-N 1 2 346.435 0.471 20 30 ECEDLO CC#CCCCC(=O)NC1CC[NH+](CCNC(=O)c2ncn[nH]2)CC1 ZINC001055615242 769263087 /nfs/dbraw/zinc/26/30/87/769263087.db2.gz RCLCCEJFKXZALE-UHFFFAOYSA-N 1 2 346.435 0.309 20 30 ECEDLO CCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000993572330 769270411 /nfs/dbraw/zinc/27/04/11/769270411.db2.gz BRKLAMONRBDKDG-TZMCWYRMSA-N 1 2 340.387 0.754 20 30 ECEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NC2CN(C(=O)C#CC3CC3)C2)[nH]n1 ZINC000993565966 769324876 /nfs/dbraw/zinc/32/48/76/769324876.db2.gz BJYLAUVCCYRJNC-INIZCTEOSA-N 1 2 341.415 0.530 20 30 ECEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)NC2CN(C(=O)C#CC3CC3)C2)[nH]n1 ZINC000993565966 769324890 /nfs/dbraw/zinc/32/48/90/769324890.db2.gz BJYLAUVCCYRJNC-INIZCTEOSA-N 1 2 341.415 0.530 20 30 ECEDLO C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001055823534 769857376 /nfs/dbraw/zinc/85/73/76/769857376.db2.gz DYVKNQHSBBHUBR-GOSISDBHSA-N 1 2 348.447 0.789 20 30 ECEDLO C#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001055912229 770187742 /nfs/dbraw/zinc/18/77/42/770187742.db2.gz MZPBYXQVVVKFGJ-GOSISDBHSA-N 1 2 346.431 0.616 20 30 ECEDLO C#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001055912229 770187748 /nfs/dbraw/zinc/18/77/48/770187748.db2.gz MZPBYXQVVVKFGJ-GOSISDBHSA-N 1 2 346.431 0.616 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CC3(C2)CCN(C(=O)Cn2cc[nH+]c2)C3)c1 ZINC001018913786 770264689 /nfs/dbraw/zinc/26/46/89/770264689.db2.gz MQVVNGRQYUEHQU-UHFFFAOYSA-N 1 2 338.371 0.458 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(CC)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106854113 770335763 /nfs/dbraw/zinc/33/57/63/770335763.db2.gz QIPASGUMZPYEOO-GFCCVEGCSA-N 1 2 334.424 0.545 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)C[C@@H]2O)CC1 ZINC001083751310 770682014 /nfs/dbraw/zinc/68/20/14/770682014.db2.gz QCXFMKTUVCASTR-WQVCFCJDSA-N 1 2 335.448 0.561 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC3CC3)C[C@@H]2O)CC1 ZINC001083751310 770682023 /nfs/dbraw/zinc/68/20/23/770682023.db2.gz QCXFMKTUVCASTR-WQVCFCJDSA-N 1 2 335.448 0.561 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C(C)C)C3=O)C[C@@H]2O)CC1 ZINC001083751505 770685474 /nfs/dbraw/zinc/68/54/74/770685474.db2.gz ZEMKCJMXDLOLLK-IKGGRYGDSA-N 1 2 349.475 0.903 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C(C)C)C3=O)C[C@@H]2O)CC1 ZINC001083751505 770685479 /nfs/dbraw/zinc/68/54/79/770685479.db2.gz ZEMKCJMXDLOLLK-IKGGRYGDSA-N 1 2 349.475 0.903 20 30 ECEDLO C=CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001056085494 770795560 /nfs/dbraw/zinc/79/55/60/770795560.db2.gz OKHCQNSPNWBYLK-KRWDZBQOSA-N 1 2 334.420 0.778 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H]1C ZINC000994487848 770892401 /nfs/dbraw/zinc/89/24/01/770892401.db2.gz PQUFYKXPDSXFSE-WDEREUQCSA-N 1 2 340.815 0.099 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H]1C ZINC000994487848 770892413 /nfs/dbraw/zinc/89/24/13/770892413.db2.gz PQUFYKXPDSXFSE-WDEREUQCSA-N 1 2 340.815 0.099 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001060692412 770949254 /nfs/dbraw/zinc/94/92/54/770949254.db2.gz QKLARWIVEFDBTO-SHTZXODSSA-N 1 2 348.447 0.956 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 ZINC001056164304 770970257 /nfs/dbraw/zinc/97/02/57/770970257.db2.gz GDXLGGYIYOZSTG-IMRBUKKESA-N 1 2 348.370 0.428 20 30 ECEDLO N#CCSCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056246679 771035454 /nfs/dbraw/zinc/03/54/54/771035454.db2.gz GNURWMAIIOCJOK-OLZOCXBDSA-N 1 2 347.444 0.801 20 30 ECEDLO N#CCSCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056246682 771035530 /nfs/dbraw/zinc/03/55/30/771035530.db2.gz GNURWMAIIOCJOK-STQMWFEESA-N 1 2 347.444 0.801 20 30 ECEDLO N#Cc1cccnc1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001056333832 771140544 /nfs/dbraw/zinc/14/05/44/771140544.db2.gz RJYLDYLKLIZVQD-UTXMOHQDSA-N 1 2 348.410 0.963 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC001056370965 771190777 /nfs/dbraw/zinc/19/07/77/771190777.db2.gz QPEKKWRKFJRVSZ-MPGHIAIKSA-N 1 2 346.431 0.802 20 30 ECEDLO C#CCCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001056372541 771192843 /nfs/dbraw/zinc/19/28/43/771192843.db2.gz AOSUMYLAICRZCI-IKGGRYGDSA-N 1 2 347.459 0.712 20 30 ECEDLO C#CCCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001056372541 771192845 /nfs/dbraw/zinc/19/28/45/771192845.db2.gz AOSUMYLAICRZCI-IKGGRYGDSA-N 1 2 347.459 0.712 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC001019367277 771212059 /nfs/dbraw/zinc/21/20/59/771212059.db2.gz UTLPKSLWDLYAGX-UONOGXRCSA-N 1 2 341.415 0.666 20 30 ECEDLO N#Cc1nccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)n1 ZINC001056399386 771223704 /nfs/dbraw/zinc/22/37/04/771223704.db2.gz OSGBSWAOQWWESY-PVTKRXDGSA-N 1 2 349.398 0.742 20 30 ECEDLO C=C(Br)C[NH2+][C@H]1CCN(C(=O)CCc2cnn[nH]2)C1 ZINC001019404635 771258712 /nfs/dbraw/zinc/25/87/12/771258712.db2.gz YDANNECPQHPCOT-NSHDSACASA-N 1 2 328.214 0.836 20 30 ECEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@H]3CCC(=O)N3)C2)c1 ZINC001031582950 771335747 /nfs/dbraw/zinc/33/57/47/771335747.db2.gz AXFGWQZONJSRGJ-OAHLLOKOSA-N 1 2 330.363 0.524 20 30 ECEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCC(=O)N1 ZINC001031583345 771343041 /nfs/dbraw/zinc/34/30/41/771343041.db2.gz RINOGTLNIZSNIY-MRXNPFEDSA-N 1 2 329.375 0.504 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]([NH2+][C@@H](C)c3csnn3)C2)nn1 ZINC001019482388 771346237 /nfs/dbraw/zinc/34/62/37/771346237.db2.gz RRBACPHWGSSJGO-QWRGUYRKSA-N 1 2 333.421 0.881 20 30 ECEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)c3nccnc3N)C2)c1 ZINC001031588657 771352517 /nfs/dbraw/zinc/35/25/17/771352517.db2.gz OQGOKQANDBSMEZ-UHFFFAOYSA-N 1 2 340.362 0.931 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060733463 771369669 /nfs/dbraw/zinc/36/96/69/771369669.db2.gz PHFJFYYRKMIZTQ-KKUMJFAQSA-N 1 2 346.431 0.782 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056574723 771395917 /nfs/dbraw/zinc/39/59/17/771395917.db2.gz KVZAMLPYTOYQPB-BMFZPTHFSA-N 1 2 344.415 0.582 20 30 ECEDLO COc1ccc(C[NH+]2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001031603769 771399814 /nfs/dbraw/zinc/39/98/14/771399814.db2.gz WTCCVPQABIIPGW-UHFFFAOYSA-N 1 2 326.360 0.547 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@H]1CN(c2cc[nH+]c(C)n2)CCCO1 ZINC001089536396 771412810 /nfs/dbraw/zinc/41/28/10/771412810.db2.gz FZNSQUDFHVHYHQ-WMLDXEAASA-N 1 2 334.420 0.824 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000994642618 771510826 /nfs/dbraw/zinc/51/08/26/771510826.db2.gz NCDTWAVKKCNIDG-FPCVCCKLSA-N 1 2 346.431 0.685 20 30 ECEDLO C=CCOCC(=O)N1C[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001056690203 771519013 /nfs/dbraw/zinc/51/90/13/771519013.db2.gz WPXLWNCLNMGQKT-JKSUJKDBSA-N 1 2 346.431 0.925 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H](n2cc(C[NH2+]Cc3ccnn3C)nn2)C1 ZINC001089581038 771568575 /nfs/dbraw/zinc/56/85/75/771568575.db2.gz YXLCNLDYBHPXJO-DOMZBBRYSA-N 1 2 342.407 0.234 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3COC(=O)N3)C2)cc1F ZINC001031646377 771591219 /nfs/dbraw/zinc/59/12/19/771591219.db2.gz ARSFTXANOYUZIS-CQSZACIVSA-N 1 2 332.335 0.354 20 30 ECEDLO N#Cc1nccc(N[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)n1 ZINC001056776142 771624658 /nfs/dbraw/zinc/62/46/58/771624658.db2.gz QIRWTQUQPAOJNU-NEPJUHHUSA-N 1 2 337.387 0.626 20 30 ECEDLO Cc1cc(C#N)nc(N(C)[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)n1 ZINC001057038265 771979915 /nfs/dbraw/zinc/97/99/15/771979915.db2.gz DYPCMHLEIHWLPI-CQSZACIVSA-N 1 2 325.376 0.660 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](N(C)c2ccnc(C#N)n2)C1 ZINC001057046931 771992829 /nfs/dbraw/zinc/99/28/29/771992829.db2.gz JUFXZXSCFPAOSN-TZMCWYRMSA-N 1 2 339.403 0.987 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](N(C)c2ccnc(C#N)n2)C1 ZINC001057046931 771992830 /nfs/dbraw/zinc/99/28/30/771992830.db2.gz JUFXZXSCFPAOSN-TZMCWYRMSA-N 1 2 339.403 0.987 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CCS(=O)(=O)CC3)C[C@H]21 ZINC001042254994 782989816 /nfs/dbraw/zinc/98/98/16/782989816.db2.gz PQTLBKRHKFNWIP-GDBMZVCRSA-N 1 2 338.473 0.757 20 30 ECEDLO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CCS(=O)(=O)CC3)C[C@H]21 ZINC001042254994 782989820 /nfs/dbraw/zinc/98/98/20/782989820.db2.gz PQTLBKRHKFNWIP-GDBMZVCRSA-N 1 2 338.473 0.757 20 30 ECEDLO N#Cc1ccc(N2CCCN(C(=O)CCn3cc[nH+]c3)CC2)nn1 ZINC001057208659 772278425 /nfs/dbraw/zinc/27/84/25/772278425.db2.gz UIMHCOUFUBRYOZ-UHFFFAOYSA-N 1 2 325.376 0.674 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@H](Nc2ccc(C#N)nn2)C1 ZINC001057670414 772897319 /nfs/dbraw/zinc/89/73/19/772897319.db2.gz BHGSFFJEFBGMON-ZDUSSCGKSA-N 1 2 325.376 0.727 20 30 ECEDLO C=CCCC(=O)NCCN(CCO)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001057833776 773048897 /nfs/dbraw/zinc/04/88/97/773048897.db2.gz QJUMRYNPEOSNQK-UHFFFAOYSA-N 1 2 348.447 0.665 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC1CCN(c2ccc(C#N)nn2)CC1 ZINC001057888208 773136396 /nfs/dbraw/zinc/13/63/96/773136396.db2.gz FCBIQNRSCLMXJC-UHFFFAOYSA-N 1 2 325.376 0.708 20 30 ECEDLO C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001057946665 773248854 /nfs/dbraw/zinc/24/88/54/773248854.db2.gz IBYOWCYGRHZTOW-HNNXBMFYSA-N 1 2 348.447 0.739 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)c[nH+]1 ZINC001057971884 773312812 /nfs/dbraw/zinc/31/28/12/773312812.db2.gz HVRCAGNTIVQCJS-GFCCVEGCSA-N 1 2 335.408 0.023 20 30 ECEDLO C#CCCCC(=O)NCCN(CCO)C(=O)CCCn1cc[nH+]c1 ZINC001057984302 773339005 /nfs/dbraw/zinc/33/90/05/773339005.db2.gz RJMAYPKXMWLKOH-UHFFFAOYSA-N 1 2 334.420 0.404 20 30 ECEDLO C=CCC(CC=C)C(=O)NCCN(CCO)C(=O)CCn1cc[nH+]c1 ZINC001058200736 773758355 /nfs/dbraw/zinc/75/83/55/773758355.db2.gz SUIIHYSTZVEAEU-UHFFFAOYSA-N 1 2 348.447 0.979 20 30 ECEDLO C=C[C@H](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001040629178 783133963 /nfs/dbraw/zinc/13/39/63/783133963.db2.gz HECNFLKCOLIOGW-KDOFPFPSSA-N 1 2 348.447 0.645 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001040634974 783144921 /nfs/dbraw/zinc/14/49/21/783144921.db2.gz CFUXHZNWXUKWSL-YJBOKZPZSA-N 1 2 348.447 0.955 20 30 ECEDLO C=CC(C)(C)CC(=O)NC[C@@]1(O)CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001039818768 783147400 /nfs/dbraw/zinc/14/74/00/783147400.db2.gz IUJOPCJOYCFVFC-SFHVURJKSA-N 1 2 348.447 0.645 20 30 ECEDLO CC#CCCCC(=O)N(CCO)CCNC(=O)CCc1[nH+]ccn1C ZINC001058442543 774188700 /nfs/dbraw/zinc/18/87/00/774188700.db2.gz IDYSFXUXJHMIPI-UHFFFAOYSA-N 1 2 348.447 0.483 20 30 ECEDLO N#Cc1cnc(N2CC[C@@H](NC(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)cn1 ZINC001058481314 774272214 /nfs/dbraw/zinc/27/22/14/774272214.db2.gz OJTKNSADWRCLNZ-CHWSQXEVSA-N 1 2 337.387 0.502 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(C1)CC[NH+](Cc1nnnn1C1CC1)CC2 ZINC001040643246 783165705 /nfs/dbraw/zinc/16/57/05/783165705.db2.gz HAUAQOAJVLHJEE-ZDUSSCGKSA-N 1 2 343.435 0.982 20 30 ECEDLO C#CCCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001039830978 783170273 /nfs/dbraw/zinc/17/02/73/783170273.db2.gz MVQFRUMUIOQBLT-KSSFIOAISA-N 1 2 346.431 0.471 20 30 ECEDLO C#CCCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001039830978 783170280 /nfs/dbraw/zinc/17/02/80/783170280.db2.gz MVQFRUMUIOQBLT-KSSFIOAISA-N 1 2 346.431 0.471 20 30 ECEDLO N#Cc1nccnc1N1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001058541631 774395104 /nfs/dbraw/zinc/39/51/04/774395104.db2.gz POUQWEHUBXXWOA-RYUDHWBXSA-N 1 2 337.387 0.886 20 30 ECEDLO C=CCC(CC=C)C(=O)NCCN(CCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001058547476 774410842 /nfs/dbraw/zinc/41/08/42/774410842.db2.gz IRWKARAHZCKWLV-UHFFFAOYSA-N 1 2 334.420 0.658 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001044979210 774792269 /nfs/dbraw/zinc/79/22/69/774792269.db2.gz DDUOKDARLRSDRQ-ZIAGYGMSSA-N 1 2 348.447 0.500 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001044979484 774793203 /nfs/dbraw/zinc/79/32/03/774793203.db2.gz FYUKQJPEUTYTKK-STQMWFEESA-N 1 2 334.420 0.110 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001044984673 774800257 /nfs/dbraw/zinc/80/02/57/774800257.db2.gz DAUKJLQKLVWBCD-LSDHHAIUSA-N 1 2 348.447 0.811 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001045068467 774927490 /nfs/dbraw/zinc/92/74/90/774927490.db2.gz FVPWJJLWHKDYQB-ZDUSSCGKSA-N 1 2 334.420 0.552 20 30 ECEDLO CC1(NC(=O)c2cc(C#N)c[nH]2)CC[NH+](CCS(C)(=O)=O)CC1 ZINC001045399614 775541561 /nfs/dbraw/zinc/54/15/61/775541561.db2.gz NQDTUXGAEBYVET-UHFFFAOYSA-N 1 2 338.433 0.515 20 30 ECEDLO CC1(NC(=O)c2c[nH]c(C#N)c2)CC[NH+](CCS(C)(=O)=O)CC1 ZINC001045411522 775556975 /nfs/dbraw/zinc/55/69/75/775556975.db2.gz JSAYPCCLBNEXNY-UHFFFAOYSA-N 1 2 338.433 0.515 20 30 ECEDLO CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001045577032 775823690 /nfs/dbraw/zinc/82/36/90/775823690.db2.gz HGPGYLGAFUBUDU-CQSZACIVSA-N 1 2 326.462 0.805 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnn(CCC)c2)[C@@H](n2ccnn2)C1 ZINC001070042520 790430513 /nfs/dbraw/zinc/43/05/13/790430513.db2.gz PXPQESUCGPIZQT-CVEARBPZSA-N 1 2 341.419 0.563 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CCC)c2)[C@@H](n2ccnn2)C1 ZINC001070042520 790430520 /nfs/dbraw/zinc/43/05/20/790430520.db2.gz PXPQESUCGPIZQT-CVEARBPZSA-N 1 2 341.419 0.563 20 30 ECEDLO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001044460329 776321070 /nfs/dbraw/zinc/32/10/70/776321070.db2.gz OXZGJVDXBWQVJV-UHFFFAOYSA-N 1 2 334.420 0.254 20 30 ECEDLO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001044475661 776336421 /nfs/dbraw/zinc/33/64/21/776336421.db2.gz XPICNQQTJYJAAR-ZDUSSCGKSA-N 1 2 346.431 0.347 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2cscn2)[C@@H](n2ccnn2)C1 ZINC001070046748 790441961 /nfs/dbraw/zinc/44/19/61/790441961.db2.gz MGWPZPPGECXECC-KGLIPLIRSA-N 1 2 330.417 0.342 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2cscn2)[C@@H](n2ccnn2)C1 ZINC001070046748 790441962 /nfs/dbraw/zinc/44/19/62/790441962.db2.gz MGWPZPPGECXECC-KGLIPLIRSA-N 1 2 330.417 0.342 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001079687218 776685415 /nfs/dbraw/zinc/68/54/15/776685415.db2.gz QJCCZUBBLQAVDG-SFHVURJKSA-N 1 2 348.447 0.739 20 30 ECEDLO C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001079771144 776836229 /nfs/dbraw/zinc/83/62/29/776836229.db2.gz SWARLZIPWLCOMI-HUUCEWRRSA-N 1 2 344.415 0.612 20 30 ECEDLO C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001079771144 776836238 /nfs/dbraw/zinc/83/62/38/776836238.db2.gz SWARLZIPWLCOMI-HUUCEWRRSA-N 1 2 344.415 0.612 20 30 ECEDLO C#CCOCCC(=O)N(CC)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001079775192 776847626 /nfs/dbraw/zinc/84/76/26/776847626.db2.gz VDPDGBIKHBLETN-UHFFFAOYSA-N 1 2 332.404 0.372 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccns3)C2)C1=O ZINC001079791173 776874691 /nfs/dbraw/zinc/87/46/91/776874691.db2.gz WBKOCHWCPJXMKZ-UPJWGTAASA-N 1 2 334.445 0.980 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccns3)C2)C1=O ZINC001079791173 776874699 /nfs/dbraw/zinc/87/46/99/776874699.db2.gz WBKOCHWCPJXMKZ-UPJWGTAASA-N 1 2 334.445 0.980 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001079797122 776887143 /nfs/dbraw/zinc/88/71/43/776887143.db2.gz ZTMDNACHQRBEAP-ADEWGFFLSA-N 1 2 344.253 0.810 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001079797122 776887148 /nfs/dbraw/zinc/88/71/48/776887148.db2.gz ZTMDNACHQRBEAP-ADEWGFFLSA-N 1 2 344.253 0.810 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001079980010 777186709 /nfs/dbraw/zinc/18/67/09/777186709.db2.gz SZNSOXSZXZPHHN-ZDUSSCGKSA-N 1 2 334.420 0.993 20 30 ECEDLO C=CCOCC(=O)N1CC(N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001079998509 777210764 /nfs/dbraw/zinc/21/07/64/777210764.db2.gz LRIVVDXRZLSIFL-AWEZNQCLSA-N 1 2 346.431 0.707 20 30 ECEDLO CCN(C(=O)Cc1[nH]c[nH+]c1C)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001080198543 777540753 /nfs/dbraw/zinc/54/07/53/777540753.db2.gz NQQBNUPCWPDBQS-UHFFFAOYSA-N 1 2 340.387 0.834 20 30 ECEDLO C=CCOCC(=O)N1CC(N(CC)C(=O)CCc2c[nH+]cn2C)C1 ZINC001080245215 777602040 /nfs/dbraw/zinc/60/20/40/777602040.db2.gz GNHNJNZAUUBOEZ-UHFFFAOYSA-N 1 2 334.420 0.615 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2[nH]cnc2CC)[C@@H](n2ccnn2)C1 ZINC001070085565 790554448 /nfs/dbraw/zinc/55/44/48/790554448.db2.gz GOEIREGNSAVQHK-KGLIPLIRSA-N 1 2 327.392 0.242 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2[nH]cnc2CC)[C@@H](n2ccnn2)C1 ZINC001070085565 790554452 /nfs/dbraw/zinc/55/44/52/790554452.db2.gz GOEIREGNSAVQHK-KGLIPLIRSA-N 1 2 327.392 0.242 20 30 ECEDLO CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001043228381 778011573 /nfs/dbraw/zinc/01/15/73/778011573.db2.gz KUONERHCXNPBKB-AWEZNQCLSA-N 1 2 346.431 0.471 20 30 ECEDLO CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001043228381 778011583 /nfs/dbraw/zinc/01/15/83/778011583.db2.gz KUONERHCXNPBKB-AWEZNQCLSA-N 1 2 346.431 0.471 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cnc(C)cn3)C[C@H]2C)nn1 ZINC001080578896 778084015 /nfs/dbraw/zinc/08/40/15/778084015.db2.gz FTCIXLADJBBIJJ-IUODEOHRSA-N 1 2 341.419 0.813 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cnc(C)cn3)C[C@H]2C)nn1 ZINC001080578896 778084027 /nfs/dbraw/zinc/08/40/27/778084027.db2.gz FTCIXLADJBBIJJ-IUODEOHRSA-N 1 2 341.419 0.813 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2csc(CC)n2)[C@@H](n2ccnn2)C1 ZINC001070101586 790609958 /nfs/dbraw/zinc/60/99/58/790609958.db2.gz IRZXZOBOILIEJS-KGLIPLIRSA-N 1 2 344.444 0.514 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2csc(CC)n2)[C@@H](n2ccnn2)C1 ZINC001070101586 790609960 /nfs/dbraw/zinc/60/99/60/790609960.db2.gz IRZXZOBOILIEJS-KGLIPLIRSA-N 1 2 344.444 0.514 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2COc3ccccc32)[C@@H](n2ccnn2)C1 ZINC001070109261 790633362 /nfs/dbraw/zinc/63/33/62/790633362.db2.gz OEGZXISTYMYLDD-OAGGEKHMSA-N 1 2 337.383 0.429 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2COc3ccccc32)[C@@H](n2ccnn2)C1 ZINC001070109261 790633368 /nfs/dbraw/zinc/63/33/68/790633368.db2.gz OEGZXISTYMYLDD-OAGGEKHMSA-N 1 2 337.383 0.429 20 30 ECEDLO C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001043620383 778607197 /nfs/dbraw/zinc/60/71/97/778607197.db2.gz BFGZEJYZEILKEF-AWEZNQCLSA-N 1 2 346.431 0.491 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070111611 790641573 /nfs/dbraw/zinc/64/15/73/790641573.db2.gz RGNXXSABOWCHKL-OIISXLGYSA-N 1 2 345.447 0.706 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)C2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070111611 790641581 /nfs/dbraw/zinc/64/15/81/790641581.db2.gz RGNXXSABOWCHKL-OIISXLGYSA-N 1 2 345.447 0.706 20 30 ECEDLO C=CCC(CC=C)C(=O)N1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001043710658 778757820 /nfs/dbraw/zinc/75/78/20/778757820.db2.gz ISLZTIPURZFUIW-UHFFFAOYSA-N 1 2 332.404 0.341 20 30 ECEDLO N#Cc1cnccc1N1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001043728105 778783488 /nfs/dbraw/zinc/78/34/88/778783488.db2.gz GPUSWHNRSSHBQP-JKSUJKDBSA-N 1 2 338.371 0.266 20 30 ECEDLO C=CCCC(=O)N1CC2(C1)CC[C@@H](CNC(=O)Cn1cc[nH+]c1)O2 ZINC001068591781 790655789 /nfs/dbraw/zinc/65/57/89/790655789.db2.gz XDTFTDNOOWAZSI-AWEZNQCLSA-N 1 2 332.404 0.726 20 30 ECEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC2(CN(C(=O)CCn3cc[nH+]c3)C2)O1 ZINC001068621123 790732842 /nfs/dbraw/zinc/73/28/42/790732842.db2.gz WMJLRZDYVZRXFU-KBPBESRZSA-N 1 2 345.403 0.309 20 30 ECEDLO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)C[C@@H]21 ZINC001042273633 779957762 /nfs/dbraw/zinc/95/77/62/779957762.db2.gz UFRYPXBIIFBEFG-OCCSQVGLSA-N 1 2 342.403 0.180 20 30 ECEDLO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)C[C@@H]21 ZINC001042273633 779957766 /nfs/dbraw/zinc/95/77/66/779957766.db2.gz UFRYPXBIIFBEFG-OCCSQVGLSA-N 1 2 342.403 0.180 20 30 ECEDLO Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2n2ccnn2)cs1 ZINC001070157453 790778327 /nfs/dbraw/zinc/77/83/27/790778327.db2.gz YKABTOONAXOFRZ-HONMWMINSA-N 1 2 345.432 0.744 20 30 ECEDLO CC#CCCCC(=O)N1CC(O)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001042828673 780901958 /nfs/dbraw/zinc/90/19/58/780901958.db2.gz VKZLSJAKIKGDTM-UHFFFAOYSA-N 1 2 332.404 0.225 20 30 ECEDLO CCN(C(=O)CSCC#N)C1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001079341384 781003729 /nfs/dbraw/zinc/00/37/29/781003729.db2.gz BWMUXYQXVWKBMU-UHFFFAOYSA-N 1 2 335.433 0.279 20 30 ECEDLO CC(C)C#CC(=O)NCC1(O)CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001042942715 781076173 /nfs/dbraw/zinc/07/61/73/781076173.db2.gz BAAXIRNDFQDMNP-UHFFFAOYSA-N 1 2 332.404 0.012 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001079447729 781130013 /nfs/dbraw/zinc/13/00/13/781130013.db2.gz RVCRWEJUUATLGB-ZDUSSCGKSA-N 1 2 334.420 0.993 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cnc(C)s2)C[C@H]1O ZINC001077694467 781530762 /nfs/dbraw/zinc/53/07/62/781530762.db2.gz TWYDTEYTZFPNQG-TUVASFSCSA-N 1 2 337.445 0.704 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)s2)C[C@H]1O ZINC001077694467 781530768 /nfs/dbraw/zinc/53/07/68/781530768.db2.gz TWYDTEYTZFPNQG-TUVASFSCSA-N 1 2 337.445 0.704 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001077813598 781744877 /nfs/dbraw/zinc/74/48/77/781744877.db2.gz SGTMCIBKOYTZID-SUMWQHHRSA-N 1 2 336.436 0.691 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040696390 783287637 /nfs/dbraw/zinc/28/76/37/783287637.db2.gz LTAFDYADYCTGCR-IRXDYDNUSA-N 1 2 334.420 0.634 20 30 ECEDLO C[C@H]1[C@@H](Nc2ncc(C#N)cc2F)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001040070180 783481403 /nfs/dbraw/zinc/48/14/03/783481403.db2.gz GVGUJEZPACICIA-TUKIKUTGSA-N 1 2 347.394 0.824 20 30 ECEDLO C[C@H]1[C@@H](Nc2ncc(C#N)cc2F)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001040070180 783481408 /nfs/dbraw/zinc/48/14/08/783481408.db2.gz GVGUJEZPACICIA-TUKIKUTGSA-N 1 2 347.394 0.824 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NC[C@]1(O)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001040812212 783486980 /nfs/dbraw/zinc/48/69/80/783486980.db2.gz IDBVUBAJGSLOAU-QZTJIDSGSA-N 1 2 348.447 0.955 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001040814295 783492908 /nfs/dbraw/zinc/49/29/08/783492908.db2.gz WVXMWAKIIIHZHP-IRXDYDNUSA-N 1 2 334.420 0.634 20 30 ECEDLO C=CCC1(C(=O)NC[C@@]2(O)CCN(C(=O)Cc3c[nH+]c[nH]3)C2)CCC1 ZINC001040814856 783493700 /nfs/dbraw/zinc/49/37/00/783493700.db2.gz LYFUJDUMLHZAJS-SFHVURJKSA-N 1 2 346.431 0.778 20 30 ECEDLO Cc1nc(C[NH2+][C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2n2ccnn2)co1 ZINC001070192796 783626490 /nfs/dbraw/zinc/62/64/90/783626490.db2.gz PVNXJGGGTBAPQD-CVEARBPZSA-N 1 2 340.387 0.530 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@@H]([NH2+]Cc2ccon2)[C@@H](n2ccnn2)C1 ZINC001070192894 783626624 /nfs/dbraw/zinc/62/66/24/783626624.db2.gz VFUVGEYLYPEKOO-CABCVRRESA-N 1 2 326.360 0.221 20 30 ECEDLO C[C@H](C#N)C(=O)NCC1(NC(=O)CCc2c[nH+]cn2C)CCOCC1 ZINC001070193366 783626995 /nfs/dbraw/zinc/62/69/95/783626995.db2.gz UOPCKLCZHLAQAI-CYBMUJFWSA-N 1 2 347.419 0.294 20 30 ECEDLO C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C(C)C)[nH]n2)C[C@@H]1n1ccnn1 ZINC001070281459 783786668 /nfs/dbraw/zinc/78/66/68/783786668.db2.gz ZLBSCJLZFUMZPW-CABCVRRESA-N 1 2 327.392 0.413 20 30 ECEDLO C#CC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH]c(C)nc32)C[C@@H]1n1ccnn1 ZINC001070306437 783811839 /nfs/dbraw/zinc/81/18/39/783811839.db2.gz AQOZEZTWDRICMC-CVEARBPZSA-N 1 2 349.398 0.751 20 30 ECEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2CCC(=O)N2)cc1C#N ZINC001038118229 783876927 /nfs/dbraw/zinc/87/69/27/783876927.db2.gz AFMGXBGCWJGIAK-HUUCEWRRSA-N 1 2 342.399 0.536 20 30 ECEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2CCC(=O)N2)cc1C#N ZINC001038118229 783876936 /nfs/dbraw/zinc/87/69/36/783876936.db2.gz AFMGXBGCWJGIAK-HUUCEWRRSA-N 1 2 342.399 0.536 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)c2ncccc2C)C1=O ZINC001038148270 783918148 /nfs/dbraw/zinc/91/81/48/783918148.db2.gz SFYVUHSVJXOQBY-GJZGRUSLSA-N 1 2 328.416 0.981 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)c2ncccc2C)C1=O ZINC001038148270 783918152 /nfs/dbraw/zinc/91/81/52/783918152.db2.gz SFYVUHSVJXOQBY-GJZGRUSLSA-N 1 2 328.416 0.981 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCO1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070441319 784081981 /nfs/dbraw/zinc/08/19/81/784081981.db2.gz SMMJIQQQYDPSLW-KGLIPLIRSA-N 1 2 329.404 0.153 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCOC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070442046 784082666 /nfs/dbraw/zinc/08/26/66/784082666.db2.gz CBXCBTOVRPOACK-KGLIPLIRSA-N 1 2 329.404 0.011 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1CCOC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442200 784083672 /nfs/dbraw/zinc/08/36/72/784083672.db2.gz DZOXGHHEIHPGEU-LSDHHAIUSA-N 1 2 343.431 0.401 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)CC1(O)CCC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442442 784085644 /nfs/dbraw/zinc/08/56/44/784085644.db2.gz IIZONWYZCSFYHL-CQSZACIVSA-N 1 2 343.431 0.279 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001070905821 784088568 /nfs/dbraw/zinc/08/85/68/784088568.db2.gz JWEGBYPIOXKJMM-MJBXVCDLSA-N 1 2 331.376 0.315 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001070905821 784088572 /nfs/dbraw/zinc/08/85/72/784088572.db2.gz JWEGBYPIOXKJMM-MJBXVCDLSA-N 1 2 331.376 0.315 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC001070452378 784116015 /nfs/dbraw/zinc/11/60/15/784116015.db2.gz ICNHGLHYZXAFLO-GFCCVEGCSA-N 1 2 335.433 0.327 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001070921457 784118951 /nfs/dbraw/zinc/11/89/51/784118951.db2.gz ZBMGLDNITRJCHL-MCIONIFRSA-N 1 2 345.403 0.244 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001070921457 784118960 /nfs/dbraw/zinc/11/89/60/784118960.db2.gz ZBMGLDNITRJCHL-MCIONIFRSA-N 1 2 345.403 0.244 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC001070454887 784121742 /nfs/dbraw/zinc/12/17/42/784121742.db2.gz VNDABBBGOYNOTO-QWHCGFSZSA-N 1 2 349.460 0.952 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCN(C(=O)CSCC#N)C1 ZINC001070454887 784121744 /nfs/dbraw/zinc/12/17/44/784121744.db2.gz VNDABBBGOYNOTO-QWHCGFSZSA-N 1 2 349.460 0.952 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2oc(C)nc2C)CC1 ZINC001070949635 784200506 /nfs/dbraw/zinc/20/05/06/784200506.db2.gz OVHQNUCXONIYQN-UHFFFAOYSA-N 1 2 332.404 0.579 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2oc(C)nc2C)CC1 ZINC001070949635 784200508 /nfs/dbraw/zinc/20/05/08/784200508.db2.gz OVHQNUCXONIYQN-UHFFFAOYSA-N 1 2 332.404 0.579 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)Cc2cncs2)CC1 ZINC001070971645 784275310 /nfs/dbraw/zinc/27/53/10/784275310.db2.gz KAYWTWJWZHUWRW-UHFFFAOYSA-N 1 2 336.461 0.912 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)Cc2cncs2)CC1 ZINC001070971645 784275314 /nfs/dbraw/zinc/27/53/14/784275314.db2.gz KAYWTWJWZHUWRW-UHFFFAOYSA-N 1 2 336.461 0.912 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cn(C)nc2CC)CC1 ZINC001070973037 784281621 /nfs/dbraw/zinc/28/16/21/784281621.db2.gz 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ZINC001071020636 784439885 /nfs/dbraw/zinc/43/98/85/784439885.db2.gz NBVFSJUUYDJYRY-UHFFFAOYSA-N 1 2 331.420 0.625 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2ccnc(C)n2)CC1 ZINC001071020636 784439895 /nfs/dbraw/zinc/43/98/95/784439895.db2.gz NBVFSJUUYDJYRY-UHFFFAOYSA-N 1 2 331.420 0.625 20 30 ECEDLO Cc1noc(CN[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2c[nH+]cn2C)n1 ZINC001070630296 784461453 /nfs/dbraw/zinc/46/14/53/784461453.db2.gz KVKCRLIHQNHEOE-RAIGVLPGSA-N 1 2 343.391 0.355 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]Cc2nncs2)C1 ZINC001070630157 784461732 /nfs/dbraw/zinc/46/17/32/784461732.db2.gz FEGCNIJJFHADPR-QJPTWQEYSA-N 1 2 345.432 0.515 20 30 ECEDLO Cc1ccn(C)c1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070642303 784483095 /nfs/dbraw/zinc/48/30/95/784483095.db2.gz ZVQMFXINPMMZAJ-ZIAGYGMSSA-N 1 2 326.404 0.788 20 30 ECEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070649246 784495738 /nfs/dbraw/zinc/49/57/38/784495738.db2.gz WMOQTNDBHWQAJT-HWMZRRJGSA-N 1 2 345.447 0.889 20 30 ECEDLO Cc1nnccc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070664369 784521386 /nfs/dbraw/zinc/52/13/86/784521386.db2.gz MPUJQIYLKBNPAG-ZIAGYGMSSA-N 1 2 325.376 0.240 20 30 ECEDLO CC[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070671351 784528598 /nfs/dbraw/zinc/52/85/98/784528598.db2.gz JWRZLYOGYRFSFZ-KQTLUZQSSA-N 1 2 331.420 0.643 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2(C)CCOCC2)C[C@H]1NCC#N ZINC001070703617 784570355 /nfs/dbraw/zinc/57/03/55/784570355.db2.gz CIEVFCGXGCVVDZ-ZIAGYGMSSA-N 1 2 331.420 0.644 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cnnn1C)C[C@H](C)O2 ZINC001071166685 784641546 /nfs/dbraw/zinc/64/15/46/784641546.db2.gz MBFTXNWHYWTHNK-SWLSCSKDSA-N 1 2 339.827 0.873 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnnn1C)C[C@H](C)O2 ZINC001071166685 784641549 /nfs/dbraw/zinc/64/15/49/784641549.db2.gz MBFTXNWHYWTHNK-SWLSCSKDSA-N 1 2 339.827 0.873 20 30 ECEDLO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(=O)c(OC)co1)C[C@H](C)O2 ZINC001071192696 784705131 /nfs/dbraw/zinc/70/51/31/784705131.db2.gz PXXJYJGJQJUHDP-SCLBCKFNSA-N 1 2 346.383 0.587 20 30 ECEDLO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(=O)c(OC)co1)C[C@H](C)O2 ZINC001071192696 784705135 /nfs/dbraw/zinc/70/51/35/784705135.db2.gz PXXJYJGJQJUHDP-SCLBCKFNSA-N 1 2 346.383 0.587 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3ccccn3)C2)C(=O)C1 ZINC001071250065 784833888 /nfs/dbraw/zinc/83/38/88/784833888.db2.gz BOCJHBYHAMNJJJ-MRXNPFEDSA-N 1 2 340.427 0.854 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3ccccn3)C2)C(=O)C1 ZINC001071250065 784833895 /nfs/dbraw/zinc/83/38/95/784833895.db2.gz BOCJHBYHAMNJJJ-MRXNPFEDSA-N 1 2 340.427 0.854 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)C(=O)C1 ZINC001071252981 784841734 /nfs/dbraw/zinc/84/17/34/784841734.db2.gz DFLPAICLUADFLL-HOTGVXAUSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)C(=O)C1 ZINC001071252981 784841740 /nfs/dbraw/zinc/84/17/40/784841740.db2.gz DFLPAICLUADFLL-HOTGVXAUSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3c[nH]nc3C)C2)C(=O)C1 ZINC001071270409 784900519 /nfs/dbraw/zinc/90/05/19/784900519.db2.gz DGRONZXISDZMDG-HNNXBMFYSA-N 1 2 343.431 0.490 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3c[nH]nc3C)C2)C(=O)C1 ZINC001071270409 784900523 /nfs/dbraw/zinc/90/05/23/784900523.db2.gz DGRONZXISDZMDG-HNNXBMFYSA-N 1 2 343.431 0.490 20 30 ECEDLO C=CCCC(=O)N[C@@H]1COC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001068757532 791079437 /nfs/dbraw/zinc/07/94/37/791079437.db2.gz WULUBUCYRAPSJK-AWEZNQCLSA-N 1 2 332.404 0.726 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(=O)NC)C2)nn1 ZINC001071886432 785272177 /nfs/dbraw/zinc/27/21/77/785272177.db2.gz DDLGJJKDHILXCV-OLZOCXBDSA-N 1 2 334.424 0.183 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(=O)NC)C2)nn1 ZINC001071886432 785272184 /nfs/dbraw/zinc/27/21/84/785272184.db2.gz DDLGJJKDHILXCV-OLZOCXBDSA-N 1 2 334.424 0.183 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001071976406 785460614 /nfs/dbraw/zinc/46/06/14/785460614.db2.gz BOZAKYJRNPEPMR-STQMWFEESA-N 1 2 332.404 0.714 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[C@H](C)[N@H+](CC(N)=O)C1 ZINC001071976406 785460618 /nfs/dbraw/zinc/46/06/18/785460618.db2.gz BOZAKYJRNPEPMR-STQMWFEESA-N 1 2 332.404 0.714 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3cnnn3C)C2)cn1 ZINC001072002727 785510032 /nfs/dbraw/zinc/51/00/32/785510032.db2.gz NYJPOBLUTCALRV-BBRMVZONSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3cnnn3C)C2)cn1 ZINC001072002727 785510042 /nfs/dbraw/zinc/51/00/42/785510042.db2.gz NYJPOBLUTCALRV-BBRMVZONSA-N 1 2 338.415 0.974 20 30 ECEDLO C=CCCOCC(=O)N[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001072453277 786207286 /nfs/dbraw/zinc/20/72/86/786207286.db2.gz INBCHZHOTCPCNY-LSDHHAIUSA-N 1 2 334.420 0.829 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001072514024 786309806 /nfs/dbraw/zinc/30/98/06/786309806.db2.gz VNEZYPJRVVSTAL-DZGCQCFKSA-N 1 2 334.420 0.518 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(C4CCC4)nn3)C[C@H]21 ZINC001074244726 786499305 /nfs/dbraw/zinc/49/93/05/786499305.db2.gz JNIGPAFTPSFLCC-SJORKVTESA-N 1 2 343.431 0.942 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(C4CCC4)nn3)C[C@H]21 ZINC001074244726 786499309 /nfs/dbraw/zinc/49/93/09/786499309.db2.gz JNIGPAFTPSFLCC-SJORKVTESA-N 1 2 343.431 0.942 20 30 ECEDLO C#CCN1CCO[C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@H]21 ZINC001074245604 786501150 /nfs/dbraw/zinc/50/11/50/786501150.db2.gz QYUGHFJKVCIUTA-IAGOWNOFSA-N 1 2 342.443 0.697 20 30 ECEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3nnn(C(C)(C)C)n3)C[C@@H]21 ZINC001074248231 786508084 /nfs/dbraw/zinc/50/80/84/786508084.db2.gz CMOFALLNDZIUMR-KBPBESRZSA-N 1 2 348.451 0.920 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3nnn(C(C)(C)C)n3)C[C@@H]21 ZINC001074248231 786508089 /nfs/dbraw/zinc/50/80/89/786508089.db2.gz CMOFALLNDZIUMR-KBPBESRZSA-N 1 2 348.451 0.920 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(C(C)(C)C)nn3)C[C@H]21 ZINC001074260695 786536530 /nfs/dbraw/zinc/53/65/30/786536530.db2.gz YPRNCKJKUKXYEF-CVEARBPZSA-N 1 2 345.447 0.972 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(C(C)(C)C)nn3)C[C@H]21 ZINC001074260695 786536533 /nfs/dbraw/zinc/53/65/33/786536533.db2.gz YPRNCKJKUKXYEF-CVEARBPZSA-N 1 2 345.447 0.972 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)nnn3CC)C[C@H]21 ZINC001074264270 786541381 /nfs/dbraw/zinc/54/13/81/786541381.db2.gz RVIVELVDBIWNBV-HUUCEWRRSA-N 1 2 331.420 0.545 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)nnn3CC)C[C@H]21 ZINC001074264270 786541385 /nfs/dbraw/zinc/54/13/85/786541385.db2.gz RVIVELVDBIWNBV-HUUCEWRRSA-N 1 2 331.420 0.545 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3c(C)nnn3CC)C[C@@H]21 ZINC001074264268 786541582 /nfs/dbraw/zinc/54/15/82/786541582.db2.gz RVIVELVDBIWNBV-GJZGRUSLSA-N 1 2 331.420 0.545 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3c(C)nnn3CC)C[C@@H]21 ZINC001074264268 786541584 /nfs/dbraw/zinc/54/15/84/786541584.db2.gz RVIVELVDBIWNBV-GJZGRUSLSA-N 1 2 331.420 0.545 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnn4ncccc34)C[C@@H]21 ZINC001074265996 786544174 /nfs/dbraw/zinc/54/41/74/786544174.db2.gz CZQJFXLOSUJLRH-DLBZAZTESA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnn4ncccc34)C[C@@H]21 ZINC001074265996 786544181 /nfs/dbraw/zinc/54/41/81/786544181.db2.gz CZQJFXLOSUJLRH-DLBZAZTESA-N 1 2 339.399 0.668 20 30 ECEDLO C=CCCC(=O)N1CCN(C2CN(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001073551084 786561547 /nfs/dbraw/zinc/56/15/47/786561547.db2.gz AONHBJSPXTUDKJ-UHFFFAOYSA-N 1 2 345.447 0.284 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4nc[nH]c4n3)C[C@@H]21 ZINC001074273534 786562572 /nfs/dbraw/zinc/56/25/72/786562572.db2.gz KVJSIVLZLFUDDA-JKSUJKDBSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4nc[nH]c4n3)C[C@@H]21 ZINC001074273534 786562580 /nfs/dbraw/zinc/56/25/80/786562580.db2.gz KVJSIVLZLFUDDA-JKSUJKDBSA-N 1 2 339.399 0.897 20 30 ECEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(=O)c(OC)c[nH]3)C[C@@H]21 ZINC001074296377 786620515 /nfs/dbraw/zinc/62/05/15/786620515.db2.gz FMZOMXQNNXWNPC-HOCLYGCPSA-N 1 2 347.415 0.875 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(=O)c(OC)c[nH]3)C[C@@H]21 ZINC001074296377 786620523 /nfs/dbraw/zinc/62/05/23/786620523.db2.gz FMZOMXQNNXWNPC-HOCLYGCPSA-N 1 2 347.415 0.875 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3nc(C)no3)C[C@@H]21 ZINC001074309405 786646614 /nfs/dbraw/zinc/64/66/14/786646614.db2.gz DICLQWQISUENGO-LSDHHAIUSA-N 1 2 332.404 0.636 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3nc(C)no3)C[C@@H]21 ZINC001074309405 786646620 /nfs/dbraw/zinc/64/66/20/786646620.db2.gz DICLQWQISUENGO-LSDHHAIUSA-N 1 2 332.404 0.636 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3c(C)nn(C)c3OC)C[C@@H]21 ZINC001074348945 786729967 /nfs/dbraw/zinc/72/99/67/786729967.db2.gz UUSFKCWUUXGHNF-GJZGRUSLSA-N 1 2 346.431 0.676 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3c(C)nn(C)c3OC)C[C@@H]21 ZINC001074348945 786729974 /nfs/dbraw/zinc/72/99/74/786729974.db2.gz UUSFKCWUUXGHNF-GJZGRUSLSA-N 1 2 346.431 0.676 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]3OCC[N@@H+](CCCF)[C@H]3C2)nn1 ZINC001074354886 786740394 /nfs/dbraw/zinc/74/03/94/786740394.db2.gz XRZFPPCOOHPLJJ-LSDHHAIUSA-N 1 2 337.399 0.739 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]3OCC[N@H+](CCCF)[C@H]3C2)nn1 ZINC001074354886 786740401 /nfs/dbraw/zinc/74/04/01/786740401.db2.gz XRZFPPCOOHPLJJ-LSDHHAIUSA-N 1 2 337.399 0.739 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@H]21 ZINC001074364531 786765229 /nfs/dbraw/zinc/76/52/29/786765229.db2.gz ZBNPSOCIWYAJFE-KGLIPLIRSA-N 1 2 342.403 0.616 20 30 ECEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@H]21 ZINC001074364531 786765234 /nfs/dbraw/zinc/76/52/34/786765234.db2.gz ZBNPSOCIWYAJFE-KGLIPLIRSA-N 1 2 342.403 0.616 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCn3cnccc3=O)C[C@H]21 ZINC001074371948 786784193 /nfs/dbraw/zinc/78/41/93/786784193.db2.gz ORAOMFNEIQCPPX-HZPDHXFCSA-N 1 2 346.431 0.511 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCn3cnccc3=O)C[C@H]21 ZINC001074371948 786784201 /nfs/dbraw/zinc/78/42/01/786784201.db2.gz ORAOMFNEIQCPPX-HZPDHXFCSA-N 1 2 346.431 0.511 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(N(C)C)nn3)C[C@@H]21 ZINC001074384527 786819589 /nfs/dbraw/zinc/81/95/89/786819589.db2.gz IFJBQVBXGXIDQD-HOTGVXAUSA-N 1 2 343.431 0.481 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(N(C)C)nn3)C[C@@H]21 ZINC001074384527 786819594 /nfs/dbraw/zinc/81/95/94/786819594.db2.gz IFJBQVBXGXIDQD-HOTGVXAUSA-N 1 2 343.431 0.481 20 30 ECEDLO C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC001073631853 786821048 /nfs/dbraw/zinc/82/10/48/786821048.db2.gz URIMWWVVMPTMKE-UONOGXRCSA-N 1 2 330.450 0.347 20 30 ECEDLO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC001073631853 786821057 /nfs/dbraw/zinc/82/10/57/786821057.db2.gz URIMWWVVMPTMKE-UONOGXRCSA-N 1 2 330.450 0.347 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001073649494 786873181 /nfs/dbraw/zinc/87/31/81/786873181.db2.gz WUHOCIVNHRARMG-LBPRGKRZSA-N 1 2 326.784 0.755 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001073649494 786873191 /nfs/dbraw/zinc/87/31/91/786873191.db2.gz WUHOCIVNHRARMG-LBPRGKRZSA-N 1 2 326.784 0.755 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cncc(C(N)=O)c3)C[C@@H]21 ZINC001074405062 786877126 /nfs/dbraw/zinc/87/71/26/786877126.db2.gz LNAVJKORLBOENT-HOTGVXAUSA-N 1 2 342.399 0.119 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cncc(C(N)=O)c3)C[C@@H]21 ZINC001074405062 786877137 /nfs/dbraw/zinc/87/71/37/786877137.db2.gz LNAVJKORLBOENT-HOTGVXAUSA-N 1 2 342.399 0.119 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2cnc[nH]c2=O)C1 ZINC001073652309 786877669 /nfs/dbraw/zinc/87/76/69/786877669.db2.gz WBOWCRHBUNKTBD-LLVKDONJSA-N 1 2 326.784 0.755 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2cnc[nH]c2=O)C1 ZINC001073652309 786877677 /nfs/dbraw/zinc/87/76/77/786877677.db2.gz WBOWCRHBUNKTBD-LLVKDONJSA-N 1 2 326.784 0.755 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001073652438 786877776 /nfs/dbraw/zinc/87/77/76/786877776.db2.gz ZQYLOUGWDXCDMS-QWHCGFSZSA-N 1 2 329.828 0.615 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001073652438 786877788 /nfs/dbraw/zinc/87/77/88/786877788.db2.gz ZQYLOUGWDXCDMS-QWHCGFSZSA-N 1 2 329.828 0.615 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3cnn(C)c3)C[C@H]21 ZINC001074415461 786912547 /nfs/dbraw/zinc/91/25/47/786912547.db2.gz QPWMDCBBDPHFOV-IAGOWNOFSA-N 1 2 330.432 0.678 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3cnn(C)c3)C[C@H]21 ZINC001074415461 786912551 /nfs/dbraw/zinc/91/25/51/786912551.db2.gz QPWMDCBBDPHFOV-IAGOWNOFSA-N 1 2 330.432 0.678 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCc3cnn(C)c3)C[C@H]21 ZINC001074415463 786912656 /nfs/dbraw/zinc/91/26/56/786912656.db2.gz QPWMDCBBDPHFOV-SJORKVTESA-N 1 2 330.432 0.678 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCc3cnn(C)c3)C[C@H]21 ZINC001074415463 786912668 /nfs/dbraw/zinc/91/26/68/786912668.db2.gz QPWMDCBBDPHFOV-SJORKVTESA-N 1 2 330.432 0.678 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)ccn3)C[C@@H]21 ZINC001074416926 786917588 /nfs/dbraw/zinc/91/75/88/786917588.db2.gz FNSLCTVKPTZVCU-JKSUJKDBSA-N 1 2 342.399 0.119 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)ccn3)C[C@@H]21 ZINC001074416926 786917594 /nfs/dbraw/zinc/91/75/94/786917594.db2.gz FNSLCTVKPTZVCU-JKSUJKDBSA-N 1 2 342.399 0.119 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCCO[C@H](CNC(=O)c3cn[nH]n3)C2)s1 ZINC001073675035 786943204 /nfs/dbraw/zinc/94/32/04/786943204.db2.gz WCUWJFHEGDFMMO-LLVKDONJSA-N 1 2 346.416 0.759 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCCO[C@H](CNC(=O)c3cn[nH]n3)C2)s1 ZINC001073675035 786943209 /nfs/dbraw/zinc/94/32/09/786943209.db2.gz WCUWJFHEGDFMMO-LLVKDONJSA-N 1 2 346.416 0.759 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1NC(=O)CSCC#N ZINC001073746855 787114917 /nfs/dbraw/zinc/11/49/17/787114917.db2.gz FEMHIVOZDNULNI-DGCLKSJQSA-N 1 2 335.433 0.562 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001073756314 787136701 /nfs/dbraw/zinc/13/67/01/787136701.db2.gz ZNIURSUFWGQRON-LLVKDONJSA-N 1 2 328.800 0.699 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001073756314 787136706 /nfs/dbraw/zinc/13/67/06/787136706.db2.gz ZNIURSUFWGQRON-LLVKDONJSA-N 1 2 328.800 0.699 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC(O)(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001074680375 787576688 /nfs/dbraw/zinc/57/66/88/787576688.db2.gz UEBBMPSXLPMICG-GJZGRUSLSA-N 1 2 348.447 0.811 20 30 ECEDLO CC#CCCCC(=O)N1CCC(O)(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001074681471 787579898 /nfs/dbraw/zinc/57/98/98/787579898.db2.gz XTNXLKDMJSMYBT-UHFFFAOYSA-N 1 2 346.431 0.616 20 30 ECEDLO C=CCCOCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001074031307 787726643 /nfs/dbraw/zinc/72/66/43/787726643.db2.gz YULIJJMUAWDZMX-GOEBONIOSA-N 1 2 348.447 0.909 20 30 ECEDLO CC(C)C#CC(=O)N1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001074080862 787830873 /nfs/dbraw/zinc/83/08/73/787830873.db2.gz YVUDUJURZGHOGN-ZBFHGGJFSA-N 1 2 330.432 0.975 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001074090011 787854759 /nfs/dbraw/zinc/85/47/59/787854759.db2.gz KUCAGSVBLHOWGR-OCCSQVGLSA-N 1 2 334.420 0.816 20 30 ECEDLO N#Cc1cnc(N2CC[C@@]3(NC(=O)Cn4cc[nH+]c4)CCC[C@@H]23)cn1 ZINC001069268682 789720505 /nfs/dbraw/zinc/72/05/05/789720505.db2.gz JNHFHXKCYWCTIW-PBHICJAKSA-N 1 2 337.387 0.863 20 30 ECEDLO N#Cc1nccnc1N1CC[C@]2(NC(=O)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001069291313 789735800 /nfs/dbraw/zinc/73/58/00/789735800.db2.gz KKGBFCBVFFBJEF-RHSMWYFYSA-N 1 2 337.387 0.932 20 30 ECEDLO N#Cc1cnc(N2CC[C@]3(NC(=O)Cc4c[nH]c[nH+]4)CCC[C@H]23)cn1 ZINC001069291598 789735878 /nfs/dbraw/zinc/73/58/78/789735878.db2.gz OQXHJGDEZUZCNG-WMLDXEAASA-N 1 2 337.387 0.932 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCC(CC)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001069374870 789782526 /nfs/dbraw/zinc/78/25/26/789782526.db2.gz WMIWASNEQZWAIB-CQSZACIVSA-N 1 2 346.431 0.878 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCCN1c1ccc(C#N)nn1 ZINC001069376109 789783826 /nfs/dbraw/zinc/78/38/26/789783826.db2.gz SGUDESBEAVOFSA-OCCSQVGLSA-N 1 2 325.376 0.718 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCCN1c1cnc(C#N)cn1 ZINC001069376128 789783839 /nfs/dbraw/zinc/78/38/39/789783839.db2.gz SLYOSJLECVWHEL-JSGCOSHPSA-N 1 2 325.376 0.718 20 30 ECEDLO C=CCOCC(=O)N1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001069785185 790031649 /nfs/dbraw/zinc/03/16/49/790031649.db2.gz UDOYZYQVGBTBPW-GOSISDBHSA-N 1 2 346.431 0.996 20 30 ECEDLO CO[C@@H](C)C[N@@H+]1CCn2ncc(CNC(=O)c3c[nH]c(C#N)c3)c2C1 ZINC001069857994 790108069 /nfs/dbraw/zinc/10/80/69/790108069.db2.gz XJNYDBXLSSUSAA-LBPRGKRZSA-N 1 2 342.403 0.863 20 30 ECEDLO CO[C@@H](C)C[N@H+]1CCn2ncc(CNC(=O)c3c[nH]c(C#N)c3)c2C1 ZINC001069857994 790108071 /nfs/dbraw/zinc/10/80/71/790108071.db2.gz XJNYDBXLSSUSAA-LBPRGKRZSA-N 1 2 342.403 0.863 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3cnn(CC)n3)c2C1 ZINC001069859824 790111884 /nfs/dbraw/zinc/11/18/84/790111884.db2.gz OSZKIXQWJWJNCT-UHFFFAOYSA-N 1 2 329.408 0.816 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3cnn(CC)n3)c2C1 ZINC001069859824 790111886 /nfs/dbraw/zinc/11/18/86/790111886.db2.gz OSZKIXQWJWJNCT-UHFFFAOYSA-N 1 2 329.408 0.816 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3cn[nH]c(=O)c3)c2C1 ZINC001069864479 790120542 /nfs/dbraw/zinc/12/05/42/790120542.db2.gz RVORNQGUQCMVCF-UHFFFAOYSA-N 1 2 328.376 0.700 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3cn[nH]c(=O)c3)c2C1 ZINC001069864479 790120547 /nfs/dbraw/zinc/12/05/47/790120547.db2.gz RVORNQGUQCMVCF-UHFFFAOYSA-N 1 2 328.376 0.700 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CCNC(=O)CC3)c2C1 ZINC001069869059 790128112 /nfs/dbraw/zinc/12/81/12/790128112.db2.gz UHHCEQWDEXLXRM-CQSZACIVSA-N 1 2 345.447 0.807 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CCNC(=O)CC3)c2C1 ZINC001069869059 790128115 /nfs/dbraw/zinc/12/81/15/790128115.db2.gz UHHCEQWDEXLXRM-CQSZACIVSA-N 1 2 345.447 0.807 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)c2C1 ZINC001069874164 790136099 /nfs/dbraw/zinc/13/60/99/790136099.db2.gz OWTXKDYJBKZLIZ-KGLIPLIRSA-N 1 2 345.447 0.793 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)c2C1 ZINC001069874164 790136101 /nfs/dbraw/zinc/13/61/01/790136101.db2.gz OWTXKDYJBKZLIZ-KGLIPLIRSA-N 1 2 345.447 0.793 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3n(n2)CCCC3)[C@@H](n2ccnn2)C1 ZINC001069953354 790234867 /nfs/dbraw/zinc/23/48/67/790234867.db2.gz ANKLLEHLUDDECW-CVEARBPZSA-N 1 2 339.403 0.099 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3n(n2)CCCC3)[C@@H](n2ccnn2)C1 ZINC001069953354 790234872 /nfs/dbraw/zinc/23/48/72/790234872.db2.gz ANKLLEHLUDDECW-CVEARBPZSA-N 1 2 339.403 0.099 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069968057 790255353 /nfs/dbraw/zinc/25/53/53/790255353.db2.gz DMIDQGMHVKUGHL-CABCVRRESA-N 1 2 341.419 0.803 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069968057 790255357 /nfs/dbraw/zinc/25/53/57/790255357.db2.gz DMIDQGMHVKUGHL-CABCVRRESA-N 1 2 341.419 0.803 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2n[nH]c3c2CCC3)[C@@H](n2ccnn2)C1 ZINC001069968246 790255857 /nfs/dbraw/zinc/25/58/57/790255857.db2.gz OYGZKCDVANBXEZ-KGLIPLIRSA-N 1 2 327.392 0.331 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2n[nH]c3c2CCC3)[C@@H](n2ccnn2)C1 ZINC001069968246 790255861 /nfs/dbraw/zinc/25/58/61/790255861.db2.gz OYGZKCDVANBXEZ-KGLIPLIRSA-N 1 2 327.392 0.331 20 30 ECEDLO C[C@H]1[C@H](Nc2ccnc(C#N)n2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001068829608 791215011 /nfs/dbraw/zinc/21/50/11/791215011.db2.gz OLPNYHDQDWZKKL-NWDGAFQWSA-N 1 2 325.376 0.527 20 30 ECEDLO C#CCCCC(=O)N[C@H]1COC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001068838441 791233413 /nfs/dbraw/zinc/23/34/13/791233413.db2.gz GVQKETQHRLLEDO-OAHLLOKOSA-N 1 2 344.415 0.632 20 30 ECEDLO C#CCCCC(=O)N[C@H]1COC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001068838441 791233423 /nfs/dbraw/zinc/23/34/23/791233423.db2.gz GVQKETQHRLLEDO-OAHLLOKOSA-N 1 2 344.415 0.632 20 30 ECEDLO O=C(C#CC1CC1)N[C@H]1COC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001068860002 791283624 /nfs/dbraw/zinc/28/36/24/791283624.db2.gz ARXSAJAHXSSKLI-CQSZACIVSA-N 1 2 342.399 0.242 20 30 ECEDLO C[C@@H]1[C@@H](Nc2nccnc2C#N)CCN1C(=O)Cc1c[nH+]cn1C ZINC001068872848 791315782 /nfs/dbraw/zinc/31/57/82/791315782.db2.gz RJLQHWLXFYEQFI-YPMHNXCESA-N 1 2 325.376 0.726 20 30 ECEDLO C=CC(C)(C)CC(=O)N[C@@H]1COC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001068883238 791338377 /nfs/dbraw/zinc/33/83/77/791338377.db2.gz NHIVNHSSKIGZAE-AWEZNQCLSA-N 1 2 346.431 0.972 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N[C@H]1COC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001068910051 791396420 /nfs/dbraw/zinc/39/64/20/791396420.db2.gz DDIVPFCMHYUITE-QWHCGFSZSA-N 1 2 348.403 0.029 20 30 ECEDLO C[C@@H]1[C@H](Nc2ccnc(C#N)n2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001068929260 791440702 /nfs/dbraw/zinc/44/07/02/791440702.db2.gz ZRFKHEODDPETBI-CHWSQXEVSA-N 1 2 325.376 0.458 20 30 ECEDLO C=CC(C)(C)C(=O)N[C@H]1COC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001068949438 791487241 /nfs/dbraw/zinc/48/72/41/791487241.db2.gz DCWXACKOROXLGR-CYBMUJFWSA-N 1 2 332.404 0.651 20 30 ECEDLO C[C@H]1[C@H](Nc2ccnc(C#N)n2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001068971208 791526034 /nfs/dbraw/zinc/52/60/34/791526034.db2.gz DCDNPJXKZUVILW-WCQYABFASA-N 1 2 325.376 0.527 20 30 ECEDLO C[C@H]1[C@H](Nc2ccnc(C#N)n2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001068971208 791526044 /nfs/dbraw/zinc/52/60/44/791526044.db2.gz DCDNPJXKZUVILW-WCQYABFASA-N 1 2 325.376 0.527 20 30 ECEDLO C=C[C@H](CC)CC(=O)N[C@@H]1COC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001068975827 791532909 /nfs/dbraw/zinc/53/29/09/791532909.db2.gz ODQYZLLMAVTBDG-CABCVRRESA-N 1 2 346.431 0.972 20 30 ECEDLO N#Cc1ccc(NC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CCO2)cn1 ZINC001066681054 791977363 /nfs/dbraw/zinc/97/73/63/791977363.db2.gz RNJPWMZOPJULTQ-OAHLLOKOSA-N 1 2 326.360 0.558 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(c3ccncc3C#N)CC2)C1 ZINC001066697740 792014597 /nfs/dbraw/zinc/01/45/97/792014597.db2.gz BRIGZBHASGCXPH-GOEBONIOSA-N 1 2 338.415 0.836 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(c3nccnc3C#N)CC2)C1 ZINC001066698211 792016082 /nfs/dbraw/zinc/01/60/82/792016082.db2.gz IVODNFMAECHIFD-UONOGXRCSA-N 1 2 339.403 0.231 20 30 ECEDLO Cc1ccc(N2CC[NH+]([C@@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)nn1 ZINC001066698770 792020352 /nfs/dbraw/zinc/02/03/52/792020352.db2.gz OMDZWCWEEFQDLX-DZGCQCFKSA-N 1 2 328.420 0.668 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001067686394 792089328 /nfs/dbraw/zinc/08/93/28/792089328.db2.gz DZWHKWOSXRTJCO-AWEZNQCLSA-N 1 2 336.436 0.861 20 30 ECEDLO N#Cc1cnc(N[C@@]2(CO)CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC001066910102 792358843 /nfs/dbraw/zinc/35/88/43/792358843.db2.gz GCDGFYGKCQVCIF-INIZCTEOSA-N 1 2 341.375 0.079 20 30 ECEDLO C[C@H]1CCN(c2ccc(C#N)nn2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067962669 792512466 /nfs/dbraw/zinc/51/24/66/792512466.db2.gz DCJPBMUMMMVGFT-SWLSCSKDSA-N 1 2 339.403 0.655 20 30 ECEDLO C[C@H]1CCN(c2ccnc(C#N)n2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067963456 792513701 /nfs/dbraw/zinc/51/37/01/792513701.db2.gz PIALXLMQLPAQAT-GXTWGEPZSA-N 1 2 339.403 0.655 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(c2cnc(C#N)cn2)CC[C@@H]1C ZINC001067963899 792514048 /nfs/dbraw/zinc/51/40/48/792514048.db2.gz WAOQITKUAHNCHV-XHDPSFHLSA-N 1 2 339.403 0.954 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[C@@H](C)[C@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001067966132 792518902 /nfs/dbraw/zinc/51/89/02/792518902.db2.gz WCDYVHPRTGDQQA-IUODEOHRSA-N 1 2 339.403 0.884 20 30 ECEDLO C[C@@H]1CCN(c2nccnc2C#N)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067967100 792520656 /nfs/dbraw/zinc/52/06/56/792520656.db2.gz JSMQYAWYGYLNJP-DGCLKSJQSA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1Nc1ccc(C#N)nn1 ZINC001067084829 792683080 /nfs/dbraw/zinc/68/30/80/792683080.db2.gz QKKQEWJGFKOAEI-WCQYABFASA-N 1 2 325.376 0.963 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@H](Nc2cnc(C#N)cn2)C1 ZINC001067127601 792728601 /nfs/dbraw/zinc/72/86/01/792728601.db2.gz RJKHHYKEDXNJPA-IINYFYTJSA-N 1 2 325.376 0.881 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@H](Nc2cncc(C#N)n2)C1 ZINC001067127764 792728742 /nfs/dbraw/zinc/72/87/42/792728742.db2.gz SSLZXOGVDTVLGQ-IINYFYTJSA-N 1 2 325.376 0.881 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1Nc1ccc(C#N)nn1 ZINC001067217155 792831985 /nfs/dbraw/zinc/83/19/85/792831985.db2.gz FMJAIBXBJOGKJR-SMDDNHRTSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1Nc1ccc(C#N)nn1 ZINC001067217155 792831998 /nfs/dbraw/zinc/83/19/98/792831998.db2.gz FMJAIBXBJOGKJR-SMDDNHRTSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@@H](Nc1ncccc1C#N)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001068234359 792884454 /nfs/dbraw/zinc/88/44/54/792884454.db2.gz GTFPEZFVXVNYJU-UKRRQHHQSA-N 1 2 340.387 0.878 20 30 ECEDLO C[C@@H](Nc1ccc(C#N)nc1)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001068245264 792925443 /nfs/dbraw/zinc/92/54/43/792925443.db2.gz JAVWSWKBGXGCCD-MLGOLLRUSA-N 1 2 340.387 0.947 20 30 ECEDLO C[C@H](Nc1ccc(C#N)nn1)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001068246285 792928535 /nfs/dbraw/zinc/92/85/35/792928535.db2.gz WHDHMMCDKZPCAM-FZMZJTMJSA-N 1 2 341.375 0.342 20 30 ECEDLO C[C@H]1C[C@@H](CNc2ccnc(C#N)n2)CN1C(=O)Cc1c[nH+]cn1C ZINC001068339484 793078578 /nfs/dbraw/zinc/07/85/78/793078578.db2.gz XOLCDRNRYJBLAC-STQMWFEESA-N 1 2 339.403 0.395 20 30 ECEDLO C[C@H]1C[C@H](CNc2cnc(C#N)cn2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001068346022 793093112 /nfs/dbraw/zinc/09/31/12/793093112.db2.gz DBEHHBLOKKDLNQ-NWDGAFQWSA-N 1 2 325.376 0.963 20 30 ECEDLO CC(C)C#CC(=O)N1CC2(C1)CN(C(=O)CCc1c[nH]c[nH+]1)CCO2 ZINC001068406742 793240473 /nfs/dbraw/zinc/24/04/73/793240473.db2.gz BRANCZWKQWFUOT-UHFFFAOYSA-N 1 2 344.415 0.442 20 30 ECEDLO CC(C)C#CC(=O)N1CC2(C1)CN(C(=O)CCc1c[nH+]c[nH]1)CCO2 ZINC001068406742 793240480 /nfs/dbraw/zinc/24/04/80/793240480.db2.gz BRANCZWKQWFUOT-UHFFFAOYSA-N 1 2 344.415 0.442 20 30 ECEDLO C=C(C)CCC(=O)N1CC2(C1)CN(C(=O)Cn1cc[nH+]c1)CCO2 ZINC001068409365 793250861 /nfs/dbraw/zinc/25/08/61/793250861.db2.gz CWZCKDHGIIPBLC-UHFFFAOYSA-N 1 2 332.404 0.679 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2nc(C)oc2C)C1 ZINC001267546719 837741456 /nfs/dbraw/zinc/74/14/56/837741456.db2.gz CMFGNXLZDNSVQY-OAHLLOKOSA-N 1 2 346.431 0.967 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2nc(C)oc2C)C1 ZINC001267546719 837741462 /nfs/dbraw/zinc/74/14/62/837741462.db2.gz CMFGNXLZDNSVQY-OAHLLOKOSA-N 1 2 346.431 0.967 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@@H]1OCCc2ccccc21 ZINC001267574880 837824232 /nfs/dbraw/zinc/82/42/32/837824232.db2.gz VOHNLOJDDKHLIO-GOSISDBHSA-N 1 2 342.443 0.900 20 30 ECEDLO C#CCCCC(=O)NCC[N@@H+](C)CC(=O)Nc1c(C)nn(C)c1C ZINC001266270392 835590932 /nfs/dbraw/zinc/59/09/32/835590932.db2.gz QLJNSZVAWDZJNL-UHFFFAOYSA-N 1 2 333.436 0.827 20 30 ECEDLO C#CCCCC(=O)NCC[N@H+](C)CC(=O)Nc1c(C)nn(C)c1C ZINC001266270392 835590936 /nfs/dbraw/zinc/59/09/36/835590936.db2.gz QLJNSZVAWDZJNL-UHFFFAOYSA-N 1 2 333.436 0.827 20 30 ECEDLO COCC#CC[NH+]1CCN(CCNC(=O)c2sccc2F)CC1 ZINC001266283540 835614689 /nfs/dbraw/zinc/61/46/89/835614689.db2.gz QTRMCAUBDHPYOH-UHFFFAOYSA-N 1 2 339.436 0.884 20 30 ECEDLO C#CCN1CC[NH+](CCNC(=O)C[C@H]2CCOC[C@@H]2OCC)CC1 ZINC001266288043 835630780 /nfs/dbraw/zinc/63/07/80/835630780.db2.gz OYTKFVQMHBELND-SJORKVTESA-N 1 2 337.464 0.185 20 30 ECEDLO COc1cc(OC)cc(C(=O)NCC[NH+]2CCN(CC#N)CC2)c1 ZINC001266297731 835648455 /nfs/dbraw/zinc/64/84/55/835648455.db2.gz UWTCHILMMCBVNB-UHFFFAOYSA-N 1 2 332.404 0.575 20 30 ECEDLO CC#CCCCC(=O)NCC[N@H+](C)CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC001266312030 835679275 /nfs/dbraw/zinc/67/92/75/835679275.db2.gz PLRIXXFHCRRNJN-HOTGVXAUSA-N 1 2 337.464 0.864 20 30 ECEDLO CC#CCCCC(=O)NCC[N@@H+](C)CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC001266312030 835679277 /nfs/dbraw/zinc/67/92/77/835679277.db2.gz PLRIXXFHCRRNJN-HOTGVXAUSA-N 1 2 337.464 0.864 20 30 ECEDLO C#CCCOc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)cc1 ZINC001266320007 835690011 /nfs/dbraw/zinc/69/00/11/835690011.db2.gz XAPIRKLTGLYOPA-HIFRSBDPSA-N 1 2 329.400 0.767 20 30 ECEDLO C#CCCOc1ccc(C(=O)N[C@H]2CC[N@H+]([C@H](C)C(N)=O)C2)cc1 ZINC001266320007 835690014 /nfs/dbraw/zinc/69/00/14/835690014.db2.gz XAPIRKLTGLYOPA-HIFRSBDPSA-N 1 2 329.400 0.767 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC2(c3ccccc3)CC2)C1 ZINC001266323073 835697335 /nfs/dbraw/zinc/69/73/35/835697335.db2.gz ULTJFBFIBLQVGO-MRXNPFEDSA-N 1 2 340.427 0.939 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC2(c3ccccc3)CC2)C1 ZINC001266323073 835697338 /nfs/dbraw/zinc/69/73/38/835697338.db2.gz ULTJFBFIBLQVGO-MRXNPFEDSA-N 1 2 340.427 0.939 20 30 ECEDLO C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)C1 ZINC001266328095 835709844 /nfs/dbraw/zinc/70/98/44/835709844.db2.gz SWAKOWGEZRVCAQ-ZIAGYGMSSA-N 1 2 330.450 0.204 20 30 ECEDLO C=CCOCC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)C1 ZINC001266328095 835709850 /nfs/dbraw/zinc/70/98/50/835709850.db2.gz SWAKOWGEZRVCAQ-ZIAGYGMSSA-N 1 2 330.450 0.204 20 30 ECEDLO C=CCC(C)(C)C(=O)NCC[N@@H+](C)CC(=O)NC1CCOCC1 ZINC001266329946 835710598 /nfs/dbraw/zinc/71/05/98/835710598.db2.gz NHTHQQZSLDEQAJ-UHFFFAOYSA-N 1 2 325.453 0.932 20 30 ECEDLO C=CCC(C)(C)C(=O)NCC[N@H+](C)CC(=O)NC1CCOCC1 ZINC001266329946 835710600 /nfs/dbraw/zinc/71/06/00/835710600.db2.gz NHTHQQZSLDEQAJ-UHFFFAOYSA-N 1 2 325.453 0.932 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC001266338664 835723289 /nfs/dbraw/zinc/72/32/89/835723289.db2.gz AJBJOTVEIYJISF-KRWDZBQOSA-N 1 2 327.428 0.786 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC001266338664 835723293 /nfs/dbraw/zinc/72/32/93/835723293.db2.gz AJBJOTVEIYJISF-KRWDZBQOSA-N 1 2 327.428 0.786 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(C(F)F)CCCC2)C1 ZINC001266339138 835723380 /nfs/dbraw/zinc/72/33/80/835723380.db2.gz KDUBGXFHJDTLOK-LLVKDONJSA-N 1 2 328.363 0.642 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(C(F)F)CCCC2)C1 ZINC001266339138 835723385 /nfs/dbraw/zinc/72/33/85/835723385.db2.gz KDUBGXFHJDTLOK-LLVKDONJSA-N 1 2 328.363 0.642 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C(C)(C)C)nn2C)C1 ZINC001266339641 835724620 /nfs/dbraw/zinc/72/46/20/835724620.db2.gz UUIRGDCQJWIRDJ-ZDUSSCGKSA-N 1 2 347.463 0.824 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C(C)(C)C)nn2C)C1 ZINC001266339641 835724624 /nfs/dbraw/zinc/72/46/24/835724624.db2.gz UUIRGDCQJWIRDJ-ZDUSSCGKSA-N 1 2 347.463 0.824 20 30 ECEDLO O=C(C#CC1CC1)NC[C@@H]1CCC[N@H+]1CC(=O)NCc1cccnc1 ZINC001266461510 835864117 /nfs/dbraw/zinc/86/41/17/835864117.db2.gz QPLHDRKOQOJCQI-KRWDZBQOSA-N 1 2 340.427 0.692 20 30 ECEDLO O=C(C#CC1CC1)NC[C@@H]1CCC[N@@H+]1CC(=O)NCc1cccnc1 ZINC001266461510 835864122 /nfs/dbraw/zinc/86/41/22/835864122.db2.gz QPLHDRKOQOJCQI-KRWDZBQOSA-N 1 2 340.427 0.692 20 30 ECEDLO Cc1[nH]nc(Cl)c1C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001266467979 835868870 /nfs/dbraw/zinc/86/88/70/835868870.db2.gz HMVRFVLRDGTWLU-SNVBAGLBSA-N 1 2 338.799 0.206 20 30 ECEDLO Cc1[nH]nc(Cl)c1C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001266467979 835868875 /nfs/dbraw/zinc/86/88/75/835868875.db2.gz HMVRFVLRDGTWLU-SNVBAGLBSA-N 1 2 338.799 0.206 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2n(n1)CCCO2 ZINC001266471400 835873917 /nfs/dbraw/zinc/87/39/17/835873917.db2.gz OBZRIGORAFAJQU-CYBMUJFWSA-N 1 2 347.419 0.162 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc2n(n1)CCCO2 ZINC001266471400 835873921 /nfs/dbraw/zinc/87/39/21/835873921.db2.gz OBZRIGORAFAJQU-CYBMUJFWSA-N 1 2 347.419 0.162 20 30 ECEDLO C[C@@H](C(=O)NC[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)S(C)(=O)=O ZINC001266521105 835935969 /nfs/dbraw/zinc/93/59/69/835935969.db2.gz ZUPPBRNHGRJCLN-DOTOQJQBSA-N 1 2 348.468 0.909 20 30 ECEDLO C[C@@H](C(=O)NC[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)S(C)(=O)=O ZINC001266521105 835935973 /nfs/dbraw/zinc/93/59/73/835935973.db2.gz ZUPPBRNHGRJCLN-DOTOQJQBSA-N 1 2 348.468 0.909 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@H](c1ccccc1)C1CC1 ZINC001267206776 836989508 /nfs/dbraw/zinc/98/95/08/836989508.db2.gz OPFRBNIEVLSQNR-GOSISDBHSA-N 1 2 327.428 0.978 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H](c1ccccc1)C1CC1 ZINC001267206776 836989513 /nfs/dbraw/zinc/98/95/13/836989513.db2.gz OPFRBNIEVLSQNR-GOSISDBHSA-N 1 2 327.428 0.978 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)Cc1cc2ccccc2o1 ZINC001267209402 836994190 /nfs/dbraw/zinc/99/41/90/836994190.db2.gz XDANWEFBNOYFEB-UHFFFAOYSA-N 1 2 327.384 0.773 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)Cc1cc2ccccc2o1 ZINC001267209402 836994195 /nfs/dbraw/zinc/99/41/95/836994195.db2.gz XDANWEFBNOYFEB-UHFFFAOYSA-N 1 2 327.384 0.773 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cnnn1-c1ccccc1 ZINC001267219491 837010353 /nfs/dbraw/zinc/01/03/53/837010353.db2.gz UAJQVISUGDOTTJ-UHFFFAOYSA-N 1 2 342.403 0.231 20 30 ECEDLO 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/nfs/dbraw/zinc/07/21/92/218072192.db2.gz KTVNPHXOJPZJKD-UHFFFAOYSA-N 1 2 330.388 0.677 20 30 ECEDLO COCCN1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC1=O ZINC000091829047 218072193 /nfs/dbraw/zinc/07/21/93/218072193.db2.gz KTVNPHXOJPZJKD-UHFFFAOYSA-N 1 2 330.388 0.677 20 30 ECEDLO CN(C)c1ccc(CNC(=O)N2CCc3c(ncn(C)c3=O)C2)c[nH+]1 ZINC000330014575 254625325 /nfs/dbraw/zinc/62/53/25/254625325.db2.gz AZHHVBIMTWUBMQ-UHFFFAOYSA-N 1 2 342.403 0.714 20 30 ECEDLO CC1(C)CC[C@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)O1 ZINC000330307846 254632786 /nfs/dbraw/zinc/63/27/86/254632786.db2.gz MATCNQIECBHLAY-ZIAGYGMSSA-N 1 2 339.436 0.834 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000496479656 255103316 /nfs/dbraw/zinc/10/33/16/255103316.db2.gz IGQGDWGBFQRASY-KGLIPLIRSA-N 1 2 339.436 0.692 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000496479656 255103318 /nfs/dbraw/zinc/10/33/18/255103318.db2.gz IGQGDWGBFQRASY-KGLIPLIRSA-N 1 2 339.436 0.692 20 30 ECEDLO COC(=O)CN(CC#Cc1ccc(F)cc1)CC[NH+]1CCOCC1 ZINC000178886218 533480501 /nfs/dbraw/zinc/48/05/01/533480501.db2.gz DPOOCEZEAGDFJV-UHFFFAOYSA-N 1 2 334.391 0.984 20 30 ECEDLO COCCN1CCCN(Cc2c[nH+]c3ccc(C#N)cn23)CC1=O ZINC000191695450 165034477 /nfs/dbraw/zinc/03/44/77/165034477.db2.gz HKSDFGPBVSEGRN-UHFFFAOYSA-N 1 2 327.388 0.887 20 30 ECEDLO Cc1nn(C)c(N2CC[NH+]([C@@H](C)C(=O)N(C)C(C)C)CC2)c1C#N ZINC000349916719 269927841 /nfs/dbraw/zinc/92/78/41/269927841.db2.gz XGCVKHRVTZKUHB-AWEZNQCLSA-N 1 2 332.452 0.978 20 30 ECEDLO N#Cc1ncn(CC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000178725279 263154771 /nfs/dbraw/zinc/15/47/71/263154771.db2.gz NZYRCZPZUWMQNR-UHFFFAOYSA-N 1 2 328.351 0.633 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000284004538 264179388 /nfs/dbraw/zinc/17/93/88/264179388.db2.gz NKBGRSCVUIMNTG-CQSZACIVSA-N 1 2 344.415 0.354 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)C[C@H]21 ZINC000285261221 264296644 /nfs/dbraw/zinc/29/66/44/264296644.db2.gz OEHOSZSTCYYSPM-HUUCEWRRSA-N 1 2 328.372 0.428 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)C[C@H]21 ZINC000285261221 264296645 /nfs/dbraw/zinc/29/66/45/264296645.db2.gz OEHOSZSTCYYSPM-HUUCEWRRSA-N 1 2 328.372 0.428 20 30 ECEDLO CCC[N@H+](CC(=O)NCc1cccc(C#N)c1)[C@H]1CC(=O)N(C)C1=O ZINC000338331885 266045139 /nfs/dbraw/zinc/04/51/39/266045139.db2.gz FJACLDDNLMCSPA-HNNXBMFYSA-N 1 2 342.399 0.644 20 30 ECEDLO CCC[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@H]1CC(=O)N(C)C1=O ZINC000338331885 266045141 /nfs/dbraw/zinc/04/51/41/266045141.db2.gz FJACLDDNLMCSPA-HNNXBMFYSA-N 1 2 342.399 0.644 20 30 ECEDLO C[C@@H]1CCN(C(=O)NCCn2cnc(C#N)n2)C[C@H]1n1cc[nH+]c1 ZINC000287970714 267020365 /nfs/dbraw/zinc/02/03/65/267020365.db2.gz VQXLWESQTAZHLR-CHWSQXEVSA-N 1 2 328.380 0.639 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC[N@@H+]1CCO ZINC000331350662 267057280 /nfs/dbraw/zinc/05/72/80/267057280.db2.gz YMVXAQCMNNZQSY-GFCCVEGCSA-N 1 2 341.408 0.526 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC[N@H+]1CCO ZINC000331350662 267057283 /nfs/dbraw/zinc/05/72/83/267057283.db2.gz YMVXAQCMNNZQSY-GFCCVEGCSA-N 1 2 341.408 0.526 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@@H+]1CC(C)(C)O ZINC000287454147 267057949 /nfs/dbraw/zinc/05/79/49/267057949.db2.gz RFMHSYBMIGRGAZ-LLVKDONJSA-N 1 2 327.406 0.617 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@H+]1CC(C)(C)O ZINC000287454147 267057952 /nfs/dbraw/zinc/05/79/52/267057952.db2.gz RFMHSYBMIGRGAZ-LLVKDONJSA-N 1 2 327.406 0.617 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC1CCS(=O)(=O)CC1 ZINC000348271474 267066600 /nfs/dbraw/zinc/06/66/00/267066600.db2.gz NJHLUADRFDYZFC-CYBMUJFWSA-N 1 2 349.460 0.684 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CC1CCS(=O)(=O)CC1 ZINC000348271474 267066602 /nfs/dbraw/zinc/06/66/02/267066602.db2.gz NJHLUADRFDYZFC-CYBMUJFWSA-N 1 2 349.460 0.684 20 30 ECEDLO C[C@H](C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)[NH+]1CCOCC1 ZINC000362690182 267129341 /nfs/dbraw/zinc/12/93/41/267129341.db2.gz PCQWFYOQRBEWIV-UONOGXRCSA-N 1 2 344.419 0.106 20 30 ECEDLO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cc[nH+]cc1O ZINC000358343818 267188450 /nfs/dbraw/zinc/18/84/50/267188450.db2.gz WCBFADMIYVYGTI-JTQLQIEISA-N 1 2 346.368 0.386 20 30 ECEDLO C[C@H](Oc1ccccc1C#N)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000345005213 267200755 /nfs/dbraw/zinc/20/07/55/267200755.db2.gz HPKCBJMUPOYDAZ-HOCLYGCPSA-N 1 2 347.415 0.477 20 30 ECEDLO Cc1cc(C#N)cc(N[C@@H]2CCCN(CC[NH+]3CCOCC3)C2=O)n1 ZINC000367835543 267305943 /nfs/dbraw/zinc/30/59/43/267305943.db2.gz JISFNEUOFPVNCJ-MRXNPFEDSA-N 1 2 343.431 0.997 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccc(C#N)cc1 ZINC000529753592 267329791 /nfs/dbraw/zinc/32/97/91/267329791.db2.gz DCJKZNFUEFPOCB-SFHVURJKSA-N 1 2 329.400 0.904 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccc(C#N)cc1 ZINC000529753592 267329795 /nfs/dbraw/zinc/32/97/95/267329795.db2.gz DCJKZNFUEFPOCB-SFHVURJKSA-N 1 2 329.400 0.904 20 30 ECEDLO Cn1cc(C[NH+]2CCN([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)cn1 ZINC000360286352 267794915 /nfs/dbraw/zinc/79/49/15/267794915.db2.gz NWYDFEZHWCYBNM-KRWDZBQOSA-N 1 2 338.415 0.636 20 30 ECEDLO Cc1nn(C)c(N2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)c1C#N ZINC000526016139 268090373 /nfs/dbraw/zinc/09/03/73/268090373.db2.gz CTFHSUZUVBLFOT-UHFFFAOYSA-N 1 2 327.392 0.605 20 30 ECEDLO Cc1nn(C)c(N2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)c1C#N ZINC000526016139 268090374 /nfs/dbraw/zinc/09/03/74/268090374.db2.gz CTFHSUZUVBLFOT-UHFFFAOYSA-N 1 2 327.392 0.605 20 30 ECEDLO N#Cc1ccc(F)c(CNS(=O)(=O)CCC[NH+]2CCOCC2)c1 ZINC000354047156 268103656 /nfs/dbraw/zinc/10/36/56/268103656.db2.gz IWNNCJKUGRNISJ-UHFFFAOYSA-N 1 2 341.408 0.839 20 30 ECEDLO N#Cc1cc(=O)n(CC(=O)N2CC[NH+](Cc3cccs3)CC2)cn1 ZINC000517741170 268173108 /nfs/dbraw/zinc/17/31/08/268173108.db2.gz CXXYWAAKPQEGLB-UHFFFAOYSA-N 1 2 343.412 0.521 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)cn1 ZINC000372342459 268203233 /nfs/dbraw/zinc/20/32/33/268203233.db2.gz TVFDDBROIXEPNF-KBPBESRZSA-N 1 2 336.417 0.485 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)cn1 ZINC000372342459 268203234 /nfs/dbraw/zinc/20/32/34/268203234.db2.gz TVFDDBROIXEPNF-KBPBESRZSA-N 1 2 336.417 0.485 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3cn[nH]c3C2)nc1 ZINC000516922965 268251006 /nfs/dbraw/zinc/25/10/06/268251006.db2.gz XDIPWPHVMXZHAP-CYBMUJFWSA-N 1 2 331.401 0.597 20 30 ECEDLO N#Cc1cccc(N2CC[NH+](C[C@@H]3CCCS(=O)(=O)C3)CC2)n1 ZINC000341904085 268261926 /nfs/dbraw/zinc/26/19/26/268261926.db2.gz QGXUARWTKBDRGN-AWEZNQCLSA-N 1 2 334.445 0.900 20 30 ECEDLO N#Cc1ccc([C@@H](O)C[NH+]2CCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000528608604 268263250 /nfs/dbraw/zinc/26/32/50/268263250.db2.gz HHOQPEHFIXKHOG-INIZCTEOSA-N 1 2 335.429 0.701 20 30 ECEDLO N#Cc1ccnc(N2CC[NH+](C3(C(N)=O)CCCC3)CC2)c1[N+](=O)[O-] ZINC000363886372 268293884 /nfs/dbraw/zinc/29/38/84/268293884.db2.gz DTOPCRXCYGDTGJ-UHFFFAOYSA-N 1 2 344.375 0.782 20 30 ECEDLO N#Cc1ccnc(N[C@H]2CCCN(CC[NH+]3CCOCC3)C2=O)c1 ZINC000367836269 268299306 /nfs/dbraw/zinc/29/93/06/268299306.db2.gz NEQIDWBIECELII-HNNXBMFYSA-N 1 2 329.404 0.688 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000339892208 277853326 /nfs/dbraw/zinc/85/33/26/277853326.db2.gz CXZCOFXPLFCJRH-HNNXBMFYSA-N 1 2 341.452 0.120 20 30 ECEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000329187938 288710583 /nfs/dbraw/zinc/71/05/83/288710583.db2.gz BJHJDSCZYVELPT-ZOBORPQBSA-N 1 2 340.424 0.778 20 30 ECEDLO CN(C)c1[nH+]cccc1CNC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000330805133 437618504 /nfs/dbraw/zinc/61/85/04/437618504.db2.gz KNUSFJPVOFZZEQ-GFCCVEGCSA-N 1 2 341.437 0.185 20 30 ECEDLO C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)c1nnc2n1CCC2 ZINC000329237278 297946573 /nfs/dbraw/zinc/94/65/73/297946573.db2.gz OXWGUUTXLBIOPP-HZSPNIEDSA-N 1 2 348.451 0.994 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000433079247 298135110 /nfs/dbraw/zinc/13/51/10/298135110.db2.gz YUSHYTAHFJCQOC-OLZOCXBDSA-N 1 2 327.450 0.694 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000433079247 298135112 /nfs/dbraw/zinc/13/51/12/298135112.db2.gz YUSHYTAHFJCQOC-OLZOCXBDSA-N 1 2 327.450 0.694 20 30 ECEDLO C[C@H]1CN(C(=O)NCCCS(C)(=O)=O)CC[N@@H+]1CC(C)(C)O ZINC000331231286 300092562 /nfs/dbraw/zinc/09/25/62/300092562.db2.gz QMLFOHBKPGUYDA-LBPRGKRZSA-N 1 2 335.470 0.112 20 30 ECEDLO C[C@H]1CN(C(=O)NCCCS(C)(=O)=O)CC[N@H+]1CC(C)(C)O ZINC000331231286 300092563 /nfs/dbraw/zinc/09/25/63/300092563.db2.gz QMLFOHBKPGUYDA-LBPRGKRZSA-N 1 2 335.470 0.112 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(CC(=O)N2CCCCC2)CC1 ZINC000073022801 436066170 /nfs/dbraw/zinc/06/61/70/436066170.db2.gz VFMBLBJLUDXHAI-INIZCTEOSA-N 1 2 349.479 0.377 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000073022801 436066176 /nfs/dbraw/zinc/06/61/76/436066176.db2.gz VFMBLBJLUDXHAI-INIZCTEOSA-N 1 2 349.479 0.377 20 30 ECEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)NC2CCOCC2)CC1 ZINC000076293213 436198545 /nfs/dbraw/zinc/19/85/45/436198545.db2.gz IDFIFLGZHUJMOJ-UHFFFAOYSA-N 1 2 328.416 0.975 20 30 ECEDLO C=CCCC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000038530509 436261793 /nfs/dbraw/zinc/26/17/93/436261793.db2.gz ASNNXRKWPMNMJI-UHFFFAOYSA-N 1 2 331.420 0.928 20 30 ECEDLO C=CCCC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000038530509 436261797 /nfs/dbraw/zinc/26/17/97/436261797.db2.gz ASNNXRKWPMNMJI-UHFFFAOYSA-N 1 2 331.420 0.928 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2nn(CC)c(=O)cc2C1 ZINC000078614978 436274079 /nfs/dbraw/zinc/27/40/79/436274079.db2.gz YGLKFPQYYOLSQN-ZDUSSCGKSA-N 1 2 331.420 0.629 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2nn(CC)c(=O)cc2C1 ZINC000078614978 436274083 /nfs/dbraw/zinc/27/40/83/436274083.db2.gz YGLKFPQYYOLSQN-ZDUSSCGKSA-N 1 2 331.420 0.629 20 30 ECEDLO CN(Cc1cn2ccccc2c1C#N)C[C@@H](O)C[NH+]1CCOCC1 ZINC000083246583 436370860 /nfs/dbraw/zinc/37/08/60/436370860.db2.gz LCULISMIPUHNTF-MRXNPFEDSA-N 1 2 328.416 0.936 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(CC(=O)OCC)C2CCCC2)CC1 ZINC000083250128 436371558 /nfs/dbraw/zinc/37/15/58/436371558.db2.gz BCRQYNWFGPWNLS-UHFFFAOYSA-N 1 2 335.448 0.572 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(C(=O)NC)c2C)CC1 ZINC000085272611 436386958 /nfs/dbraw/zinc/38/69/58/436386958.db2.gz NZNRUYKHRJTEOL-UHFFFAOYSA-N 1 2 328.416 0.544 20 30 ECEDLO N#Cc1ccc2ncc(C[N@H+]3CC[C@@H](S(=O)(=O)NC4CC4)C3)n2c1 ZINC000092071458 436466107 /nfs/dbraw/zinc/46/61/07/436466107.db2.gz FHNVCWRETULQRO-OAHLLOKOSA-N 1 2 345.428 0.862 20 30 ECEDLO N#Cc1ccc2ncc(C[N@@H+]3CC[C@@H](S(=O)(=O)NC4CC4)C3)n2c1 ZINC000092071458 436466109 /nfs/dbraw/zinc/46/61/09/436466109.db2.gz FHNVCWRETULQRO-OAHLLOKOSA-N 1 2 345.428 0.862 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000098135363 436546371 /nfs/dbraw/zinc/54/63/71/436546371.db2.gz RCBRFOHJQNRJGW-OAHLLOKOSA-N 1 2 349.456 0.521 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000098135363 436546376 /nfs/dbraw/zinc/54/63/76/436546376.db2.gz RCBRFOHJQNRJGW-OAHLLOKOSA-N 1 2 349.456 0.521 20 30 ECEDLO C#Cc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000105741383 436576976 /nfs/dbraw/zinc/57/69/76/436576976.db2.gz YGMSTXTUXPTHHI-UONOGXRCSA-N 1 2 329.400 0.832 20 30 ECEDLO C[C@H]1Cc2ccccc2N1C(=O)CO[NH+]=C(N)CN1CCOCC1 ZINC000111182299 436630110 /nfs/dbraw/zinc/63/01/10/436630110.db2.gz SMFQEAIZWLCGSP-ZDUSSCGKSA-N 1 2 332.404 0.585 20 30 ECEDLO NC(CN1CCOCC1)=[NH+]OCC(=O)Nc1cc(F)ccc1F ZINC000111182137 436630759 /nfs/dbraw/zinc/63/07/59/436630759.db2.gz UPYYMHUHHHAPCA-UHFFFAOYSA-N 1 2 328.319 0.524 20 30 ECEDLO C#CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000112506535 436633040 /nfs/dbraw/zinc/63/30/40/436633040.db2.gz MRHNPPWEEJVOMO-AWEZNQCLSA-N 1 2 344.419 0.214 20 30 ECEDLO C#CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000112506535 436633041 /nfs/dbraw/zinc/63/30/41/436633041.db2.gz MRHNPPWEEJVOMO-AWEZNQCLSA-N 1 2 344.419 0.214 20 30 ECEDLO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000064632952 436649952 /nfs/dbraw/zinc/64/99/52/436649952.db2.gz CEBWAKKUOYLESI-CYBMUJFWSA-N 1 2 345.403 0.143 20 30 ECEDLO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000064632952 436649953 /nfs/dbraw/zinc/64/99/53/436649953.db2.gz CEBWAKKUOYLESI-CYBMUJFWSA-N 1 2 345.403 0.143 20 30 ECEDLO COC(=O)c1ccc(N2CC[N@H+](CC(=O)NCC#N)[C@H](C)C2)cc1 ZINC000066497460 436688325 /nfs/dbraw/zinc/68/83/25/436688325.db2.gz NJSHCLJUYXIPQX-CYBMUJFWSA-N 1 2 330.388 0.623 20 30 ECEDLO COC(=O)c1ccc(N2CC[N@@H+](CC(=O)NCC#N)[C@H](C)C2)cc1 ZINC000066497460 436688328 /nfs/dbraw/zinc/68/83/28/436688328.db2.gz NJSHCLJUYXIPQX-CYBMUJFWSA-N 1 2 330.388 0.623 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000120780384 436698707 /nfs/dbraw/zinc/69/87/07/436698707.db2.gz JZYDUFVFGKYQMH-CQSZACIVSA-N 1 2 346.406 0.520 20 30 ECEDLO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000118115895 436662183 /nfs/dbraw/zinc/66/21/83/436662183.db2.gz HGWPBSPNAXLVLE-HNNXBMFYSA-N 1 2 344.415 0.873 20 30 ECEDLO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000118115895 436662187 /nfs/dbraw/zinc/66/21/87/436662187.db2.gz HGWPBSPNAXLVLE-HNNXBMFYSA-N 1 2 344.415 0.873 20 30 ECEDLO C#CCOc1ccccc1C[NH+]1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000122022136 436731557 /nfs/dbraw/zinc/73/15/57/436731557.db2.gz VMFAJXAFHHKBKG-UHFFFAOYSA-N 1 2 343.427 0.867 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000122222658 436733973 /nfs/dbraw/zinc/73/39/73/436733973.db2.gz SCIBRNXZEBCYBT-UHFFFAOYSA-N 1 2 338.415 0.626 20 30 ECEDLO C[C@H](CC#N)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000123070607 436738684 /nfs/dbraw/zinc/73/86/84/436738684.db2.gz BDQMJMGVQGSZDI-CYBMUJFWSA-N 1 2 330.388 0.876 20 30 ECEDLO C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000068832691 436756282 /nfs/dbraw/zinc/75/62/82/436756282.db2.gz HHEDBBRSIUMQLH-INIZCTEOSA-N 1 2 342.443 0.923 20 30 ECEDLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2cccc(C#N)c2)CC1 ZINC000068832691 436756286 /nfs/dbraw/zinc/75/62/86/436756286.db2.gz HHEDBBRSIUMQLH-INIZCTEOSA-N 1 2 342.443 0.923 20 30 ECEDLO N#Cc1ccc([C@@H](O)C[NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 ZINC000127109069 436797334 /nfs/dbraw/zinc/79/73/34/436797334.db2.gz XTVANBCZLYIYSG-INIZCTEOSA-N 1 2 342.399 0.014 20 30 ECEDLO CS(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000274178852 436803716 /nfs/dbraw/zinc/80/37/16/436803716.db2.gz OPBDRGVPBGTGTO-GOEBONIOSA-N 1 2 338.429 0.807 20 30 ECEDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000274178852 436803720 /nfs/dbraw/zinc/80/37/20/436803720.db2.gz OPBDRGVPBGTGTO-GOEBONIOSA-N 1 2 338.429 0.807 20 30 ECEDLO C#CC[NH+]1CCN(CN2C(=O)NC3(C[C@H](C)C[C@@H](C)C3)C2=O)CC1 ZINC000130933012 436846086 /nfs/dbraw/zinc/84/60/86/436846086.db2.gz OEILZXBPJFEPTF-HUUCEWRRSA-N 1 2 332.448 0.941 20 30 ECEDLO COCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1 ZINC000293109444 436849205 /nfs/dbraw/zinc/84/92/05/436849205.db2.gz UTPMAXRMRQSZRN-UHFFFAOYSA-N 1 2 327.381 0.650 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)/C=C\c1cccc(C#N)c1 ZINC000255505759 436854560 /nfs/dbraw/zinc/85/45/60/436854560.db2.gz LYMHYIOGKYTYTE-OSJSJHBBSA-N 1 2 329.400 0.723 20 30 ECEDLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000274686148 436860498 /nfs/dbraw/zinc/86/04/98/436860498.db2.gz OZFLZHNURZTWNB-GFCCVEGCSA-N 1 2 342.852 0.736 20 30 ECEDLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000274686148 436860504 /nfs/dbraw/zinc/86/05/04/436860504.db2.gz OZFLZHNURZTWNB-GFCCVEGCSA-N 1 2 342.852 0.736 20 30 ECEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)CC(C)(CO)CO ZINC000157517576 436829958 /nfs/dbraw/zinc/82/99/58/436829958.db2.gz VSBQKHNTYTVBJX-UHFFFAOYSA-N 1 2 326.418 0.255 20 30 ECEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)CC(C)(CO)CO ZINC000157517576 436829961 /nfs/dbraw/zinc/82/99/61/436829961.db2.gz VSBQKHNTYTVBJX-UHFFFAOYSA-N 1 2 326.418 0.255 20 30 ECEDLO N#Cc1cc(F)ccc1S(=O)(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000157739585 436832414 /nfs/dbraw/zinc/83/24/14/436832414.db2.gz SQYKBIAFKGYGEO-AWEZNQCLSA-N 1 2 339.392 0.839 20 30 ECEDLO N#Cc1cc(F)ccc1S(=O)(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000157739585 436832418 /nfs/dbraw/zinc/83/24/18/436832418.db2.gz SQYKBIAFKGYGEO-AWEZNQCLSA-N 1 2 339.392 0.839 20 30 ECEDLO Cc1oc(C#N)cc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000280751620 436918590 /nfs/dbraw/zinc/91/85/90/436918590.db2.gz XXYCWLQEBYGTPP-CYBMUJFWSA-N 1 2 346.387 0.123 20 30 ECEDLO Cc1nn(C)c(C)c1CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000162501595 436908346 /nfs/dbraw/zinc/90/83/46/436908346.db2.gz MQVOECPTAPIDIX-UHFFFAOYSA-N 1 2 333.436 0.654 20 30 ECEDLO C=CCOc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000275379794 436961732 /nfs/dbraw/zinc/96/17/32/436961732.db2.gz WPCFHYVAKHBPFP-AWEZNQCLSA-N 1 2 347.415 0.715 20 30 ECEDLO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000171094551 436967438 /nfs/dbraw/zinc/96/74/38/436967438.db2.gz FESKIJFXQPJHQA-NSHDSACASA-N 1 2 329.809 0.821 20 30 ECEDLO C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000171094551 436967441 /nfs/dbraw/zinc/96/74/41/436967441.db2.gz FESKIJFXQPJHQA-NSHDSACASA-N 1 2 329.809 0.821 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1sccc1C#N ZINC000294301711 436947624 /nfs/dbraw/zinc/94/76/24/436947624.db2.gz NJDHRSFCCRCAFB-NSHDSACASA-N 1 2 336.417 0.737 20 30 ECEDLO COC(=O)[C@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000282571561 437016025 /nfs/dbraw/zinc/01/60/25/437016025.db2.gz ZQQCXVVJZZOXAT-XNRPHZJLSA-N 1 2 334.372 0.560 20 30 ECEDLO COC(=O)[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000282571561 437016028 /nfs/dbraw/zinc/01/60/28/437016028.db2.gz ZQQCXVVJZZOXAT-XNRPHZJLSA-N 1 2 334.372 0.560 20 30 ECEDLO C[C@@H](C#N)CN(C)C(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000297758640 437018597 /nfs/dbraw/zinc/01/85/97/437018597.db2.gz LKBBCOARABMZQL-LSDHHAIUSA-N 1 2 343.431 0.905 20 30 ECEDLO CS(=O)(=O)N(CCO[NH+]=C(N)[C@H]1CCCO1)Cc1ccccc1 ZINC000283899887 437033346 /nfs/dbraw/zinc/03/33/46/437033346.db2.gz DFTFVTXDCMINGC-CQSZACIVSA-N 1 2 341.433 0.916 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCn3cncn3)CC2)cc1 ZINC000263866548 436996385 /nfs/dbraw/zinc/99/63/85/436996385.db2.gz WINSUWFNXANVJI-UHFFFAOYSA-N 1 2 339.403 0.677 20 30 ECEDLO C=CC[N@@H+](CCCN1C(=O)NC(C)(C)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000264565101 437047034 /nfs/dbraw/zinc/04/70/34/437047034.db2.gz PLNYAGKJHXNTIJ-LBPRGKRZSA-N 1 2 343.449 0.382 20 30 ECEDLO C=CC[N@H+](CCCN1C(=O)NC(C)(C)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000264565101 437047037 /nfs/dbraw/zinc/04/70/37/437047037.db2.gz PLNYAGKJHXNTIJ-LBPRGKRZSA-N 1 2 343.449 0.382 20 30 ECEDLO C[C@H](CNS(=O)(=O)c1ccc(C#N)nc1)C[NH+]1CCN(C)CC1 ZINC000173455408 437052377 /nfs/dbraw/zinc/05/23/77/437052377.db2.gz ASZCMPGCHBYJBI-CYBMUJFWSA-N 1 2 337.449 0.115 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cn1 ZINC000173542696 437056784 /nfs/dbraw/zinc/05/67/84/437056784.db2.gz SDMBFMWYBWRELZ-CYBMUJFWSA-N 1 2 336.417 0.296 20 30 ECEDLO CC[C@](C)(C#N)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000285617426 437079049 /nfs/dbraw/zinc/07/90/49/437079049.db2.gz WVBZFYYKXPKIMI-MRXNPFEDSA-N 1 2 327.392 0.952 20 30 ECEDLO C=CCN(C)C(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000286954526 437147381 /nfs/dbraw/zinc/14/73/81/437147381.db2.gz BRVMCQITDSXSNH-OAHLLOKOSA-N 1 2 345.447 0.353 20 30 ECEDLO C[C@@H](Oc1cccnc1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000265533279 437147671 /nfs/dbraw/zinc/14/76/71/437147671.db2.gz FXYUUCMGJUBEPK-OAHLLOKOSA-N 1 2 332.404 0.923 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)Oc2cccnc2)CC1 ZINC000265607333 437160014 /nfs/dbraw/zinc/16/00/14/437160014.db2.gz WCBFKXDZYXNGST-HNNXBMFYSA-N 1 2 344.415 0.133 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)Oc2cccnc2)CC1 ZINC000265607333 437160016 /nfs/dbraw/zinc/16/00/16/437160016.db2.gz WCBFKXDZYXNGST-HNNXBMFYSA-N 1 2 344.415 0.133 20 30 ECEDLO Cn1cc(C[NH+]2CCN(CC(=O)NC3(C#N)CCCCC3)CC2)cn1 ZINC000331831814 437165793 /nfs/dbraw/zinc/16/57/93/437165793.db2.gz ASEWHAXMJLAYJK-UHFFFAOYSA-N 1 2 344.463 0.880 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCc2c(ncn(C)c2=O)C1 ZINC000332665849 437239988 /nfs/dbraw/zinc/23/99/88/437239988.db2.gz FUZRCIKPCHPDCU-PXAZEXFGSA-N 1 2 331.420 0.581 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCc2c(ncn(C)c2=O)C1 ZINC000332665849 437239990 /nfs/dbraw/zinc/23/99/90/437239990.db2.gz FUZRCIKPCHPDCU-PXAZEXFGSA-N 1 2 331.420 0.581 20 30 ECEDLO O=C(N[C@@H]1CC[S@@](=O)C1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000328677306 437251098 /nfs/dbraw/zinc/25/10/98/437251098.db2.gz ANSCBCWDZSGQJI-SOHPYSCWSA-N 1 2 329.466 0.466 20 30 ECEDLO CC(C)(CNC(=O)CN1CCN2C(=O)CC[C@@H]2C1)[NH+]1CCOCC1 ZINC000329034781 437307767 /nfs/dbraw/zinc/30/77/67/437307767.db2.gz MNQOKBRCIBDVDY-CQSZACIVSA-N 1 2 338.452 0.360 20 30 ECEDLO CC(=O)N1CC[C@@H](C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000329104135 437319210 /nfs/dbraw/zinc/31/92/10/437319210.db2.gz DKFCADFGLICYRJ-CQSZACIVSA-N 1 2 335.408 0.672 20 30 ECEDLO CCOC1CC(CNC(=O)[C@H]2COCCN2C)([NH+]2CCOCC2)C1 ZINC000329124986 437321015 /nfs/dbraw/zinc/32/10/15/437321015.db2.gz MCJHTVIQXBHESK-ISXOHVOVSA-N 1 2 341.452 0.543 20 30 ECEDLO CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328869287 437274773 /nfs/dbraw/zinc/27/47/73/437274773.db2.gz HOMVZWPZVGTEFU-MJBXVCDLSA-N 1 2 348.451 0.994 20 30 ECEDLO CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328869287 437274776 /nfs/dbraw/zinc/27/47/76/437274776.db2.gz HOMVZWPZVGTEFU-MJBXVCDLSA-N 1 2 348.451 0.994 20 30 ECEDLO CC1(C)COCC[N@@H+]1CCNC(=O)CCN1CCCS1(=O)=O ZINC000328912166 437282021 /nfs/dbraw/zinc/28/20/21/437282021.db2.gz GZWVILXISNJACA-UHFFFAOYSA-N 1 2 333.454 0.479 20 30 ECEDLO CC1(C)COCC[N@H+]1CCNC(=O)CCN1CCCS1(=O)=O ZINC000328912166 437282024 /nfs/dbraw/zinc/28/20/24/437282024.db2.gz GZWVILXISNJACA-UHFFFAOYSA-N 1 2 333.454 0.479 20 30 ECEDLO CC[C@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@@H+]1C[C@H](C)O ZINC000288176599 437290278 /nfs/dbraw/zinc/29/02/78/437290278.db2.gz PADACPQPOMMJRN-RYUDHWBXSA-N 1 2 327.406 0.617 20 30 ECEDLO CC[C@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@H+]1C[C@H](C)O ZINC000288176599 437290282 /nfs/dbraw/zinc/29/02/82/437290282.db2.gz PADACPQPOMMJRN-RYUDHWBXSA-N 1 2 327.406 0.617 20 30 ECEDLO C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(C#N)s3)[C@H]2C1 ZINC000328956327 437293039 /nfs/dbraw/zinc/29/30/39/437293039.db2.gz ZGIPSSIKIGQWHM-NWDGAFQWSA-N 1 2 327.431 0.713 20 30 ECEDLO C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(C#N)s3)[C@H]2C1 ZINC000328956327 437293044 /nfs/dbraw/zinc/29/30/44/437293044.db2.gz ZGIPSSIKIGQWHM-NWDGAFQWSA-N 1 2 327.431 0.713 20 30 ECEDLO C=CCNC(=O)CNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000182184522 437342445 /nfs/dbraw/zinc/34/24/45/437342445.db2.gz CHCTUNBXMFPZMV-UHFFFAOYSA-N 1 2 332.404 0.943 20 30 ECEDLO Cc1cccc2c(=O)n(CC(=O)NC[C@H]3CN(C)CC[N@@H+]3C)cnc12 ZINC000329480336 437374170 /nfs/dbraw/zinc/37/41/70/437374170.db2.gz PFXBAGDUQZBTNZ-AWEZNQCLSA-N 1 2 343.431 0.907 20 30 ECEDLO Cc1cccc2c(=O)n(CC(=O)NC[C@H]3CN(C)CC[N@H+]3C)cnc12 ZINC000329480336 437374175 /nfs/dbraw/zinc/37/41/75/437374175.db2.gz PFXBAGDUQZBTNZ-AWEZNQCLSA-N 1 2 343.431 0.907 20 30 ECEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)ccc1Cl ZINC000278583098 437323815 /nfs/dbraw/zinc/32/38/15/437323815.db2.gz CWZYACKHXGLGDA-GASCZTMLSA-N 1 2 337.807 0.933 20 30 ECEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)ccc1Cl ZINC000278583098 437323820 /nfs/dbraw/zinc/32/38/20/437323820.db2.gz CWZYACKHXGLGDA-GASCZTMLSA-N 1 2 337.807 0.933 20 30 ECEDLO C[C@H](C(=O)NCCNc1ccc2ccccc2[nH+]1)n1cnc(C#N)n1 ZINC000337028516 437323887 /nfs/dbraw/zinc/32/38/87/437323887.db2.gz WTXRFWRCOZOCSN-GFCCVEGCSA-N 1 2 335.371 1.487 20 30 ECEDLO COc1ccc(C(N)=[NH+]OC[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000278678221 437333099 /nfs/dbraw/zinc/33/30/99/437333099.db2.gz OVAWVPJJOQTNGD-JTQLQIEISA-N 1 2 328.390 0.775 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3CC(=O)N(c4ccccc4)C3)C[C@@H]21 ZINC000329726474 437405998 /nfs/dbraw/zinc/40/59/98/437405998.db2.gz OMEMMDFHARCWQA-CWRNSKLLSA-N 1 2 344.415 0.721 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3CC(=O)N(c4ccccc4)C3)C[C@@H]21 ZINC000329726474 437406002 /nfs/dbraw/zinc/40/60/02/437406002.db2.gz OMEMMDFHARCWQA-CWRNSKLLSA-N 1 2 344.415 0.721 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1nnnn1-c1ccccc1 ZINC000184829023 437413160 /nfs/dbraw/zinc/41/31/60/437413160.db2.gz DOCIYUKRQNZESD-NSHDSACASA-N 1 2 329.364 0.325 20 30 ECEDLO CN(C)c1[nH+]cccc1CNC(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000329849148 437420747 /nfs/dbraw/zinc/42/07/47/437420747.db2.gz PXUWRUFVFUQNTH-GFCCVEGCSA-N 1 2 326.422 0.728 20 30 ECEDLO Cc1nc(N2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)cc[nH+]1 ZINC000184960148 437421326 /nfs/dbraw/zinc/42/13/26/437421326.db2.gz XNHUEMSXNKVOQP-UHFFFAOYSA-N 1 2 344.400 0.563 20 30 ECEDLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000329889575 437425147 /nfs/dbraw/zinc/42/51/47/437425147.db2.gz DTIIGIJXEUBWHN-MLGOLLRUSA-N 1 2 325.409 0.444 20 30 ECEDLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000329889575 437425151 /nfs/dbraw/zinc/42/51/51/437425151.db2.gz DTIIGIJXEUBWHN-MLGOLLRUSA-N 1 2 325.409 0.444 20 30 ECEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C([O-])=[NH+]CCn2cncn2)CC1 ZINC000329563316 437384176 /nfs/dbraw/zinc/38/41/76/437384176.db2.gz GTQYTBULYKELGV-GFCCVEGCSA-N 1 2 335.412 0.317 20 30 ECEDLO Cc1nc(N2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)cc[nH+]1 ZINC000183787009 437391668 /nfs/dbraw/zinc/39/16/68/437391668.db2.gz WCGRQENAMPYSFC-KRWDZBQOSA-N 1 2 328.420 0.716 20 30 ECEDLO Cc1noc([C@@H]2CN(C([O-])=[NH+][C@H]3CCc4[nH]c[nH+]c4C3)CCN2C)n1 ZINC000329629746 437393702 /nfs/dbraw/zinc/39/37/02/437393702.db2.gz VEZVBCZQAFRAMZ-FZMZJTMJSA-N 1 2 345.407 0.861 20 30 ECEDLO Cc1noc([C@@H]2CN(C([O-])=[NH+][C@H]3CCc4[nH+]c[nH]c4C3)CCN2C)n1 ZINC000329629746 437393705 /nfs/dbraw/zinc/39/37/05/437393705.db2.gz VEZVBCZQAFRAMZ-FZMZJTMJSA-N 1 2 345.407 0.861 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NC[C@@H]3COc4ccccc4O3)C[C@@H]21 ZINC000329648777 437396195 /nfs/dbraw/zinc/39/61/95/437396195.db2.gz FDRDGFQTNNWKMQ-DVOMOZLQSA-N 1 2 333.388 0.755 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NC[C@@H]3COc4ccccc4O3)C[C@@H]21 ZINC000329648777 437396199 /nfs/dbraw/zinc/39/61/99/437396199.db2.gz FDRDGFQTNNWKMQ-DVOMOZLQSA-N 1 2 333.388 0.755 20 30 ECEDLO O=C(N[C@@H]1CCS(=O)(=O)C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000329667504 437399258 /nfs/dbraw/zinc/39/92/58/437399258.db2.gz LLWUEEIXFFNDQZ-CQSZACIVSA-N 1 2 345.465 0.132 20 30 ECEDLO COCC1(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CCOCC1 ZINC000330231522 437471990 /nfs/dbraw/zinc/47/19/90/437471990.db2.gz WXDZKUQNXOJFJW-GJZGRUSLSA-N 1 2 341.452 0.749 20 30 ECEDLO COCC1(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CCOCC1 ZINC000330231522 437471992 /nfs/dbraw/zinc/47/19/92/437471992.db2.gz WXDZKUQNXOJFJW-GJZGRUSLSA-N 1 2 341.452 0.749 20 30 ECEDLO CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000330304484 437480796 /nfs/dbraw/zinc/48/07/96/437480796.db2.gz KJSJKUGLVXPKFU-HZSPNIEDSA-N 1 2 339.436 0.283 20 30 ECEDLO CC(C)CN1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)[C@@H](C)C1=O ZINC000330198920 437467449 /nfs/dbraw/zinc/46/74/49/437467449.db2.gz UTQLOJRDHVNNNJ-UONOGXRCSA-N 1 2 326.441 0.420 20 30 ECEDLO CC(C)CN1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)[C@@H](C)C1=O ZINC000330198920 437467454 /nfs/dbraw/zinc/46/74/54/437467454.db2.gz UTQLOJRDHVNNNJ-UONOGXRCSA-N 1 2 326.441 0.420 20 30 ECEDLO CC[C@H]1CN(S(=O)(=O)N(C)C[C@H](C)C#N)CC[N@@H+]1CCOC ZINC000330377011 437495591 /nfs/dbraw/zinc/49/55/91/437495591.db2.gz DWGXHCKVUQUJEW-KGLIPLIRSA-N 1 2 332.470 0.365 20 30 ECEDLO CC[C@H]1CN(S(=O)(=O)N(C)C[C@H](C)C#N)CC[N@H+]1CCOC ZINC000330377011 437495594 /nfs/dbraw/zinc/49/55/94/437495594.db2.gz DWGXHCKVUQUJEW-KGLIPLIRSA-N 1 2 332.470 0.365 20 30 ECEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000339800936 437503776 /nfs/dbraw/zinc/50/37/76/437503776.db2.gz VKDDFZZKCBGLDR-OAHLLOKOSA-N 1 2 347.415 0.479 20 30 ECEDLO CCOC(=O)[C@@H]1CCCN(C(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000330409815 437504246 /nfs/dbraw/zinc/50/42/46/437504246.db2.gz QOBVQVNELNEUBC-UONOGXRCSA-N 1 2 327.425 0.896 20 30 ECEDLO N#C[C@H]1CCC[C@@H]1NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000360050190 437510561 /nfs/dbraw/zinc/51/05/61/437510561.db2.gz JSGGGQLDOXLFGZ-CABCVRRESA-N 1 2 343.435 0.590 20 30 ECEDLO Cc1c(C(=O)NC[C@H](C)[NH+]2CCOCC2)cccc1S(N)(=O)=O ZINC000330443647 437512317 /nfs/dbraw/zinc/51/23/17/437512317.db2.gz ULPLMBLZBPREEA-NSHDSACASA-N 1 2 341.433 0.668 20 30 ECEDLO CCN1CCN(C(=O)C(=O)NCCCCC#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000343144783 437515375 /nfs/dbraw/zinc/51/53/75/437515375.db2.gz AVKIUQKGWOGCCJ-CYBMUJFWSA-N 1 2 332.408 0.425 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H](CNC(N)=O)C1 ZINC000330461238 437518367 /nfs/dbraw/zinc/51/83/67/437518367.db2.gz LOXQZLBAQAQBSZ-CHWSQXEVSA-N 1 2 327.429 0.415 20 30 ECEDLO CS(=O)(=O)NC[C@@H]1CCCN(C([O-])=[NH+]CCn2cc[nH+]c2)C1 ZINC000330481416 437527703 /nfs/dbraw/zinc/52/77/03/437527703.db2.gz UNBCFLIYEZMIBQ-LBPRGKRZSA-N 1 2 329.426 0.058 20 30 ECEDLO CS(=O)(=O)NC[C@@H]1CCCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000330481416 437527708 /nfs/dbraw/zinc/52/77/08/437527708.db2.gz UNBCFLIYEZMIBQ-LBPRGKRZSA-N 1 2 329.426 0.058 20 30 ECEDLO C=C[C@@H](CO)NC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000290871615 437538289 /nfs/dbraw/zinc/53/82/89/437538289.db2.gz FCLWTJZBBNMKEI-IRXDYDNUSA-N 1 2 333.432 0.776 20 30 ECEDLO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH+]=C([O-])NCCn1cc[nH+]c1 ZINC000330573307 437555540 /nfs/dbraw/zinc/55/55/40/437555540.db2.gz KQFBQJNWRSBGJO-NWDGAFQWSA-N 1 2 329.426 0.247 20 30 ECEDLO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC([O-])=[NH+]CCn1cc[nH+]c1 ZINC000330573307 437555546 /nfs/dbraw/zinc/55/55/46/437555546.db2.gz KQFBQJNWRSBGJO-NWDGAFQWSA-N 1 2 329.426 0.247 20 30 ECEDLO COC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)CCO1 ZINC000330879542 437639394 /nfs/dbraw/zinc/63/93/94/437639394.db2.gz MKLYYOIJEFYDFQ-IUCAKERBSA-N 1 2 327.303 0.315 20 30 ECEDLO COC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)CCO1 ZINC000330879542 437639398 /nfs/dbraw/zinc/63/93/98/437639398.db2.gz MKLYYOIJEFYDFQ-IUCAKERBSA-N 1 2 327.303 0.315 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccccc1C(N)=O ZINC000190947634 437645351 /nfs/dbraw/zinc/64/53/51/437645351.db2.gz YYLFJSDXCKKTEM-UHFFFAOYSA-N 1 2 344.415 0.402 20 30 ECEDLO C=CCOCC(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000354894007 437654389 /nfs/dbraw/zinc/65/43/89/437654389.db2.gz ZFKNYJLJIZVHOU-UHFFFAOYSA-N 1 2 347.415 0.890 20 30 ECEDLO C=CCC1(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCC1 ZINC000191883736 437656295 /nfs/dbraw/zinc/65/62/95/437656295.db2.gz HJGDJVOPXPGNHH-OAHLLOKOSA-N 1 2 335.448 0.782 20 30 ECEDLO CC(C)(C)NC(=O)NC(=O)CN1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000330958670 437657561 /nfs/dbraw/zinc/65/75/61/437657561.db2.gz ANNWXFBHXQSAJZ-UHFFFAOYSA-N 1 2 327.429 0.747 20 30 ECEDLO CC(C)NC(=O)N1CCC[C@H]1C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000330959116 437657607 /nfs/dbraw/zinc/65/76/07/437657607.db2.gz DPGJOWBNZIPMQC-CABCVRRESA-N 1 2 339.484 0.525 20 30 ECEDLO C[C@H](O)C[C@@H]1COCCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000330964188 437659591 /nfs/dbraw/zinc/65/95/91/437659591.db2.gz BXZJTIYUHVKXQA-UONOGXRCSA-N 1 2 329.441 0.483 20 30 ECEDLO CCC[C@@H]1CCC[N@H+](CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000330986414 437663914 /nfs/dbraw/zinc/66/39/14/437663914.db2.gz QLZQSYKSAYUXME-OLZOCXBDSA-N 1 2 345.465 0.716 20 30 ECEDLO CCC[C@@H]1CCC[N@@H+](CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000330986414 437663915 /nfs/dbraw/zinc/66/39/15/437663915.db2.gz QLZQSYKSAYUXME-OLZOCXBDSA-N 1 2 345.465 0.716 20 30 ECEDLO COC(=O)[C@]1(C)CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000330997213 437666534 /nfs/dbraw/zinc/66/65/34/437666534.db2.gz VDICCEIMKDEHBG-DVOMOZLQSA-N 1 2 327.425 0.895 20 30 ECEDLO CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355099101 437671229 /nfs/dbraw/zinc/67/12/29/437671229.db2.gz MJYIVKHMSCRJJB-ZDUSSCGKSA-N 1 2 344.419 0.698 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1)C1CC1 ZINC000355099852 437672101 /nfs/dbraw/zinc/67/21/01/437672101.db2.gz HKIHWXBUZLSFGJ-SFHVURJKSA-N 1 2 338.415 0.884 20 30 ECEDLO CNS(=O)(=O)c1cc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)c(C)o1 ZINC000331216107 437719041 /nfs/dbraw/zinc/71/90/41/437719041.db2.gz OTZYLPFIAHBEKJ-JTQLQIEISA-N 1 2 345.421 0.521 20 30 ECEDLO CNS(=O)(=O)c1cc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)c(C)o1 ZINC000331216107 437719044 /nfs/dbraw/zinc/71/90/44/437719044.db2.gz OTZYLPFIAHBEKJ-JTQLQIEISA-N 1 2 345.421 0.521 20 30 ECEDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@]2(C)CCCO2)CCO1 ZINC000331227301 437721665 /nfs/dbraw/zinc/72/16/65/437721665.db2.gz FUEGKHOCCURHMI-DOMZBBRYSA-N 1 2 328.413 0.637 20 30 ECEDLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@]2(C)CCCO2)CCO1 ZINC000331227301 437721670 /nfs/dbraw/zinc/72/16/70/437721670.db2.gz FUEGKHOCCURHMI-DOMZBBRYSA-N 1 2 328.413 0.637 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000346685337 437817813 /nfs/dbraw/zinc/81/78/13/437817813.db2.gz IRKCVTNDWXJWGO-UHFFFAOYSA-N 1 2 327.388 0.760 20 30 ECEDLO COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)[C@H](C)C#N)CC2)cc1 ZINC000347101213 437830894 /nfs/dbraw/zinc/83/08/94/437830894.db2.gz GXJIYMOZKWQKSM-CQSZACIVSA-N 1 2 344.415 0.729 20 30 ECEDLO COC(=O)C[C@@H]1COCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000347457049 437895251 /nfs/dbraw/zinc/89/52/51/437895251.db2.gz PONNFTLZSHBZNS-CABCVRRESA-N 1 2 334.372 0.562 20 30 ECEDLO COC(=O)C[C@@H]1COCC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000347457049 437895254 /nfs/dbraw/zinc/89/52/54/437895254.db2.gz PONNFTLZSHBZNS-CABCVRRESA-N 1 2 334.372 0.562 20 30 ECEDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)CC[N@H+](C)C1 ZINC000416592178 437968476 /nfs/dbraw/zinc/96/84/76/437968476.db2.gz UOBFJOZZXWRUDU-ZDUSSCGKSA-N 1 2 337.401 0.284 20 30 ECEDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)CC[N@@H+](C)C1 ZINC000416592178 437968481 /nfs/dbraw/zinc/96/84/81/437968481.db2.gz UOBFJOZZXWRUDU-ZDUSSCGKSA-N 1 2 337.401 0.284 20 30 ECEDLO N#Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC000424550822 437972674 /nfs/dbraw/zinc/97/26/74/437972674.db2.gz NSWZXUFSKSPYIR-ZDUSSCGKSA-N 1 2 336.342 0.535 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[N@@H+](CCC(=O)OC)[C@H](C)C2)nn1 ZINC000424757301 437988519 /nfs/dbraw/zinc/98/85/19/437988519.db2.gz QPTDEIWHLNZVPN-CYBMUJFWSA-N 1 2 335.408 0.564 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[N@H+](CCC(=O)OC)[C@H](C)C2)nn1 ZINC000424757301 437988520 /nfs/dbraw/zinc/98/85/20/437988520.db2.gz QPTDEIWHLNZVPN-CYBMUJFWSA-N 1 2 335.408 0.564 20 30 ECEDLO CCc1nnc(N2CCC[N@H+](CC(=O)NC)CC2)c(C#N)c1CC ZINC000371926457 438012922 /nfs/dbraw/zinc/01/29/22/438012922.db2.gz IKPKXVBEKHKMQL-UHFFFAOYSA-N 1 2 330.436 0.731 20 30 ECEDLO CCc1nnc(N2CCC[N@@H+](CC(=O)NC)CC2)c(C#N)c1CC ZINC000371926457 438012926 /nfs/dbraw/zinc/01/29/26/438012926.db2.gz IKPKXVBEKHKMQL-UHFFFAOYSA-N 1 2 330.436 0.731 20 30 ECEDLO C=CCn1cc(CNc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)nn1 ZINC000425265191 438018700 /nfs/dbraw/zinc/01/87/00/438018700.db2.gz UBFHXHKACPPPBG-UHFFFAOYSA-N 1 2 328.380 0.145 20 30 ECEDLO C=CCn1cc(CNc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)nn1 ZINC000425265191 438018705 /nfs/dbraw/zinc/01/87/05/438018705.db2.gz UBFHXHKACPPPBG-UHFFFAOYSA-N 1 2 328.380 0.145 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000366274038 438045369 /nfs/dbraw/zinc/04/53/69/438045369.db2.gz VOSLNJMTXCKFRR-DOTOQJQBSA-N 1 2 326.437 0.965 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000425902158 438047592 /nfs/dbraw/zinc/04/75/92/438047592.db2.gz USFUPJPVUOGGRT-IMJJTQAJSA-N 1 2 345.399 0.769 20 30 ECEDLO CC[C@H]1C[C@@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)CC(=O)N1 ZINC000348742791 438091872 /nfs/dbraw/zinc/09/18/72/438091872.db2.gz VQQMBPCRMRFQKE-CABCVRRESA-N 1 2 336.436 0.366 20 30 ECEDLO N#CCCN(CCN1CCOCC1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000372315333 438068086 /nfs/dbraw/zinc/06/80/86/438068086.db2.gz LEKHAQREJICHHZ-HNNXBMFYSA-N 1 2 331.420 0.520 20 30 ECEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)c(C#N)c1C ZINC000366435470 438072331 /nfs/dbraw/zinc/07/23/31/438072331.db2.gz LMQCWCDQZFWQKG-XHVZSJERSA-N 1 2 344.371 0.690 20 30 ECEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)c(C#N)c1C ZINC000366435470 438072334 /nfs/dbraw/zinc/07/23/34/438072334.db2.gz LMQCWCDQZFWQKG-XHVZSJERSA-N 1 2 344.371 0.690 20 30 ECEDLO C=CCN1C(=O)C(=O)N(CC(=O)Nc2c(C)cc(C)[nH+]c2C)C1=O ZINC000348880005 438111168 /nfs/dbraw/zinc/11/11/68/438111168.db2.gz NDCIAWANSRAWAC-UHFFFAOYSA-N 1 2 330.344 0.922 20 30 ECEDLO C=CCN(C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C1CC1 ZINC000372656790 438106527 /nfs/dbraw/zinc/10/65/27/438106527.db2.gz WEGJQSCDKAABJV-UHFFFAOYSA-N 1 2 347.419 0.331 20 30 ECEDLO CN1C[C@H]2C[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CCN2C1=O ZINC000373244251 438138277 /nfs/dbraw/zinc/13/82/77/438138277.db2.gz KPHZZYBKHUKPQT-JKSUJKDBSA-N 1 2 339.399 0.715 20 30 ECEDLO CN1C[C@H]2C[N@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CCN2C1=O ZINC000373244251 438138278 /nfs/dbraw/zinc/13/82/78/438138278.db2.gz KPHZZYBKHUKPQT-JKSUJKDBSA-N 1 2 339.399 0.715 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(=O)n4nccc4[nH]3)CC2)cn1 ZINC000374571508 438217882 /nfs/dbraw/zinc/21/78/82/438217882.db2.gz QQVKWFUQLQZBIB-UHFFFAOYSA-N 1 2 335.371 0.611 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000367526380 438219306 /nfs/dbraw/zinc/21/93/06/438219306.db2.gz WJNISYCABHXZJY-AWEZNQCLSA-N 1 2 331.482 0.767 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000367526380 438219310 /nfs/dbraw/zinc/21/93/10/438219310.db2.gz WJNISYCABHXZJY-AWEZNQCLSA-N 1 2 331.482 0.767 20 30 ECEDLO C#Cc1cc(F)c(NC(=O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c(F)c1 ZINC000374889835 438236203 /nfs/dbraw/zinc/23/62/03/438236203.db2.gz AFWQZWYUOYIPNT-GFCCVEGCSA-N 1 2 348.353 0.001 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2nc(C)c(C)nc2C)CC1 ZINC000368433285 438329599 /nfs/dbraw/zinc/32/95/99/438329599.db2.gz GHBFITVDNOOBQM-UHFFFAOYSA-N 1 2 343.431 0.299 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2nc(C)c(C)nc2C)CC1 ZINC000368433285 438329602 /nfs/dbraw/zinc/32/96/02/438329602.db2.gz GHBFITVDNOOBQM-UHFFFAOYSA-N 1 2 343.431 0.299 20 30 ECEDLO CNC(=O)C[N@@H+]1CCCN(C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000368838267 438391240 /nfs/dbraw/zinc/39/12/40/438391240.db2.gz KUQWIKYMYSONJG-UHFFFAOYSA-N 1 2 328.416 0.771 20 30 ECEDLO CNC(=O)C[N@H+]1CCCN(C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000368838267 438391245 /nfs/dbraw/zinc/39/12/45/438391245.db2.gz KUQWIKYMYSONJG-UHFFFAOYSA-N 1 2 328.416 0.771 20 30 ECEDLO N#C[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@@]12c1ccccc1NC2=O ZINC000368570234 438346645 /nfs/dbraw/zinc/34/66/45/438346645.db2.gz ZRTRENUOLKTLHP-PXAZEXFGSA-N 1 2 325.372 0.357 20 30 ECEDLO N#C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@@]12c1ccccc1NC2=O ZINC000368570234 438346649 /nfs/dbraw/zinc/34/66/49/438346649.db2.gz ZRTRENUOLKTLHP-PXAZEXFGSA-N 1 2 325.372 0.357 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cn(C)nc2C(=O)OCC)CC1 ZINC000352003849 438367998 /nfs/dbraw/zinc/36/79/98/438367998.db2.gz SSNDOABJTNWSKD-UHFFFAOYSA-N 1 2 349.435 0.017 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(C(=O)OC)cn2)CC1 ZINC000352096686 438381065 /nfs/dbraw/zinc/38/10/65/438381065.db2.gz IGSSWGFZHHWVSB-UHFFFAOYSA-N 1 2 332.404 0.288 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000352558605 438442651 /nfs/dbraw/zinc/44/26/51/438442651.db2.gz ATKYRMIMFMDSTR-UONOGXRCSA-N 1 2 344.481 0.350 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000352558605 438442655 /nfs/dbraw/zinc/44/26/55/438442655.db2.gz ATKYRMIMFMDSTR-UONOGXRCSA-N 1 2 344.481 0.350 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000369387023 438465586 /nfs/dbraw/zinc/46/55/86/438465586.db2.gz WFMQTUQPOLAOOX-CYBMUJFWSA-N 1 2 348.403 0.828 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000369387023 438465588 /nfs/dbraw/zinc/46/55/88/438465588.db2.gz WFMQTUQPOLAOOX-CYBMUJFWSA-N 1 2 348.403 0.828 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000352571424 438445545 /nfs/dbraw/zinc/44/55/45/438445545.db2.gz UVYDRBTVCKIYQL-OLZOCXBDSA-N 1 2 330.454 0.103 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000352571424 438445550 /nfs/dbraw/zinc/44/55/50/438445550.db2.gz UVYDRBTVCKIYQL-OLZOCXBDSA-N 1 2 330.454 0.103 20 30 ECEDLO CN1CC[NH+](C[C@@H]2CN(C(=O)c3ccc(C#N)nc3)CCO2)CC1 ZINC000369365270 438461651 /nfs/dbraw/zinc/46/16/51/438461651.db2.gz ZOEKAIJMVWJFJI-MRXNPFEDSA-N 1 2 329.404 0.042 20 30 ECEDLO CC[C@@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@@]2(CCOC2)O1 ZINC000369706663 438507517 /nfs/dbraw/zinc/50/75/17/438507517.db2.gz LWAMRQLBUDSZEW-NVXWUHKLSA-N 1 2 334.420 0.912 20 30 ECEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@@]2(CCOC2)O1 ZINC000369706663 438507522 /nfs/dbraw/zinc/50/75/22/438507522.db2.gz LWAMRQLBUDSZEW-NVXWUHKLSA-N 1 2 334.420 0.912 20 30 ECEDLO COC(=O)C[N@@H+]1CCCN(CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000370026542 438540590 /nfs/dbraw/zinc/54/05/90/438540590.db2.gz NIHHQATZVHMTIR-UHFFFAOYSA-N 1 2 348.403 0.887 20 30 ECEDLO COC(=O)C[N@H+]1CCCN(CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000370026542 438540593 /nfs/dbraw/zinc/54/05/93/438540593.db2.gz NIHHQATZVHMTIR-UHFFFAOYSA-N 1 2 348.403 0.887 20 30 ECEDLO N#CC1(NC(=O)C[N@H+](CCN2CCOCC2)Cc2ccco2)CCC1 ZINC000452051689 438629991 /nfs/dbraw/zinc/62/99/91/438629991.db2.gz UVIKNBQRWGPYFG-UHFFFAOYSA-N 1 2 346.431 0.976 20 30 ECEDLO N#CC1(NC(=O)C[N@@H+](CCN2CCOCC2)Cc2ccco2)CCC1 ZINC000452051689 438629995 /nfs/dbraw/zinc/62/99/95/438629995.db2.gz UVIKNBQRWGPYFG-UHFFFAOYSA-N 1 2 346.431 0.976 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451879676 438610581 /nfs/dbraw/zinc/61/05/81/438610581.db2.gz SBQJTTIVWXPKRX-NSHDSACASA-N 1 2 336.358 0.814 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451879676 438610586 /nfs/dbraw/zinc/61/05/86/438610586.db2.gz SBQJTTIVWXPKRX-NSHDSACASA-N 1 2 336.358 0.814 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(C(C)(C)C(=O)OC)CC1 ZINC000494457514 438693791 /nfs/dbraw/zinc/69/37/91/438693791.db2.gz ZFORFYABEMDBGF-AWEZNQCLSA-N 1 2 338.452 0.564 20 30 ECEDLO C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)C[C@](C)(c2ccccc2)C1=O ZINC000414158564 438699067 /nfs/dbraw/zinc/69/90/67/438699067.db2.gz ZHAGDGNXZGIREY-CRAIPNDOSA-N 1 2 329.400 0.910 20 30 ECEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)C[C@](C)(c2ccccc2)C1=O ZINC000414158564 438699069 /nfs/dbraw/zinc/69/90/69/438699069.db2.gz ZHAGDGNXZGIREY-CRAIPNDOSA-N 1 2 329.400 0.910 20 30 ECEDLO Cc1ccc(-c2nnn(CC(=O)N[C@](C)(C#N)C[NH+](C)C)n2)cc1 ZINC000576230512 438773746 /nfs/dbraw/zinc/77/37/46/438773746.db2.gz DNYBQKVBOGKANA-MRXNPFEDSA-N 1 2 327.392 0.609 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000555482605 438774867 /nfs/dbraw/zinc/77/48/67/438774867.db2.gz HCTKUJMCHJPYTH-GOSISDBHSA-N 1 2 339.399 0.870 20 30 ECEDLO Cc1c(C#N)c(=O)n(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(=O)n1C1CC1 ZINC000601092263 438818037 /nfs/dbraw/zinc/81/80/37/438818037.db2.gz IYWWEUWOZOVVGY-OKILXGFUSA-N 1 2 330.388 0.388 20 30 ECEDLO Cc1c(C#N)c(=O)n(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(=O)n1C1CC1 ZINC000601092263 438818042 /nfs/dbraw/zinc/81/80/42/438818042.db2.gz IYWWEUWOZOVVGY-OKILXGFUSA-N 1 2 330.388 0.388 20 30 ECEDLO Cc1cc(C#N)nc(NC[C@@H]2CC(=O)N(C)[C@H]2c2[nH+]ccn2C)n1 ZINC000577010009 438808723 /nfs/dbraw/zinc/80/87/23/438808723.db2.gz OQMXWKAAQCHQKD-SMDDNHRTSA-N 1 2 325.376 1.022 20 30 ECEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000601354384 438859250 /nfs/dbraw/zinc/85/92/50/438859250.db2.gz ZZWOMXNSQYUOSG-LBPRGKRZSA-N 1 2 341.408 0.693 20 30 ECEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NC2(c3cccc(C#N)c3)CC2)C1 ZINC000601376648 438867062 /nfs/dbraw/zinc/86/70/62/438867062.db2.gz NDXJVAXRCYRTSD-OAHLLOKOSA-N 1 2 335.429 0.797 20 30 ECEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NC2(c3cccc(C#N)c3)CC2)C1 ZINC000601376648 438867065 /nfs/dbraw/zinc/86/70/65/438867065.db2.gz NDXJVAXRCYRTSD-OAHLLOKOSA-N 1 2 335.429 0.797 20 30 ECEDLO N#CCC(=O)N1CC[NH+](C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000564097202 438871529 /nfs/dbraw/zinc/87/15/29/438871529.db2.gz WVSBDRYMLMRTAX-CYBMUJFWSA-N 1 2 347.371 0.213 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000601424372 438888716 /nfs/dbraw/zinc/88/87/16/438888716.db2.gz HWKPOXQZHWAJNO-KGLIPLIRSA-N 1 2 330.454 0.119 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(CC(=O)OC)ccn2)CC1 ZINC000596063460 438919796 /nfs/dbraw/zinc/91/97/96/438919796.db2.gz SQJYMKRDRHYGCM-UHFFFAOYSA-N 1 2 332.404 0.221 20 30 ECEDLO Cn1ncc(C#N)c1NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000596098208 438924517 /nfs/dbraw/zinc/92/45/17/438924517.db2.gz QIPNQWZYJBLZCJ-UHFFFAOYSA-N 1 2 339.403 0.838 20 30 ECEDLO C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2[nH+]ccn2CC)CC1 ZINC000459071346 438942093 /nfs/dbraw/zinc/94/20/93/438942093.db2.gz YMFNOKCPPYQBRT-AWEZNQCLSA-N 1 2 348.451 0.593 20 30 ECEDLO N#CCC(=O)N1CC[NH+](C[C@@H](O)COCc2ccccc2F)CC1 ZINC000578904220 438966299 /nfs/dbraw/zinc/96/62/99/438966299.db2.gz IRFCGAVXSXXUDX-OAHLLOKOSA-N 1 2 335.379 0.761 20 30 ECEDLO CNC(=O)COc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1OC ZINC000579126978 438983564 /nfs/dbraw/zinc/98/35/64/438983564.db2.gz XECAJWLSVIDZRE-QGZVFWFLSA-N 1 2 348.403 0.394 20 30 ECEDLO Cn1cc(CCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nn1 ZINC000596657916 438984858 /nfs/dbraw/zinc/98/48/58/438984858.db2.gz CMHTVFGQCRZRHY-UHFFFAOYSA-N 1 2 338.415 0.964 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000602040145 439001886 /nfs/dbraw/zinc/00/18/86/439001886.db2.gz AQJZLEMKZBINCO-GFCCVEGCSA-N 1 2 348.378 0.815 20 30 ECEDLO Cc1nc2sccn2c(=O)c1CC[NH+]1CCN(C(=O)CC#N)CC1 ZINC000566424744 439052432 /nfs/dbraw/zinc/05/24/32/439052432.db2.gz PKWDHOLQCRPCHQ-UHFFFAOYSA-N 1 2 345.428 0.665 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)c(N)n2)CC1 ZINC000566478228 439060707 /nfs/dbraw/zinc/06/07/07/439060707.db2.gz MFLAMZQKEHKTMB-ZDUSSCGKSA-N 1 2 346.435 0.199 20 30 ECEDLO C[C@@H](C(=O)N1CC[NH+](CCc2ccncc2)CC1)n1cnc(C#N)n1 ZINC000602201624 439039078 /nfs/dbraw/zinc/03/90/78/439039078.db2.gz ZKUPKYYUFOWOAW-AWEZNQCLSA-N 1 2 339.403 0.493 20 30 ECEDLO CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)CCCCC#N)CC1 ZINC000471890176 439098432 /nfs/dbraw/zinc/09/84/32/439098432.db2.gz ZPZKDVHWBOZYTA-UHFFFAOYSA-N 1 2 330.454 0.106 20 30 ECEDLO C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[NH+]1CCC(CCC#N)CC1 ZINC000521431370 439117731 /nfs/dbraw/zinc/11/77/31/439117731.db2.gz RTORTWYESTXBJH-OCCSQVGLSA-N 1 2 327.450 0.694 20 30 ECEDLO CCOC(=O)CN(C(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592148533 439166697 /nfs/dbraw/zinc/16/66/97/439166697.db2.gz WGYZQBYIMRQFNO-SFHVURJKSA-N 1 2 345.399 0.933 20 30 ECEDLO CCOC(=O)CN(C(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592148533 439166703 /nfs/dbraw/zinc/16/67/03/439166703.db2.gz WGYZQBYIMRQFNO-SFHVURJKSA-N 1 2 345.399 0.933 20 30 ECEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccccc2SCC(N)=O)C1 ZINC000592148476 439167459 /nfs/dbraw/zinc/16/74/59/439167459.db2.gz VMYNVJRJFOMONX-MRXNPFEDSA-N 1 2 348.428 0.553 20 30 ECEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)Nc2ccccc2SCC(N)=O)C1 ZINC000592148476 439167462 /nfs/dbraw/zinc/16/74/62/439167462.db2.gz VMYNVJRJFOMONX-MRXNPFEDSA-N 1 2 348.428 0.553 20 30 ECEDLO C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149131 439167632 /nfs/dbraw/zinc/16/76/32/439167632.db2.gz JFAMVBDCLTZKAH-DYVFJYSZSA-N 1 2 330.388 0.751 20 30 ECEDLO C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149131 439167634 /nfs/dbraw/zinc/16/76/34/439167634.db2.gz JFAMVBDCLTZKAH-DYVFJYSZSA-N 1 2 330.388 0.751 20 30 ECEDLO COC(=O)C1CCN(C(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)CC1 ZINC000602854872 439143757 /nfs/dbraw/zinc/14/37/57/439143757.db2.gz DDUBRHCYENECIK-ZIAGYGMSSA-N 1 2 336.436 0.316 20 30 ECEDLO CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)Cc1ccncc1C#N ZINC000592099470 439154920 /nfs/dbraw/zinc/15/49/20/439154920.db2.gz AASCONQQYBUFMA-HNNXBMFYSA-N 1 2 331.420 0.935 20 30 ECEDLO CCCNC(=O)C[C@@H](C(N)=O)[N@@H+](CCC)Cc1ccncc1C#N ZINC000592099470 439154923 /nfs/dbraw/zinc/15/49/23/439154923.db2.gz AASCONQQYBUFMA-HNNXBMFYSA-N 1 2 331.420 0.935 20 30 ECEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602937147 439164784 /nfs/dbraw/zinc/16/47/84/439164784.db2.gz RFWLUSSGIKNPFE-KKXDTOCCSA-N 1 2 341.367 0.757 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1F ZINC000489438498 439226690 /nfs/dbraw/zinc/22/66/90/439226690.db2.gz MCXSHLIZOPVHOF-ZDUSSCGKSA-N 1 2 339.392 0.839 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1F ZINC000489438498 439226697 /nfs/dbraw/zinc/22/66/97/439226697.db2.gz MCXSHLIZOPVHOF-ZDUSSCGKSA-N 1 2 339.392 0.839 20 30 ECEDLO N#Cc1cccc(NC(=O)Cn2cc(CC[NH+]3CCOCC3)nn2)c1 ZINC000603165644 439200471 /nfs/dbraw/zinc/20/04/71/439200471.db2.gz ZFFYFTAQWAYYLE-UHFFFAOYSA-N 1 2 340.387 0.663 20 30 ECEDLO N#Cc1ccsc1NC(=O)Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000603174203 439201593 /nfs/dbraw/zinc/20/15/93/439201593.db2.gz QGQNPZOMIGBMCQ-UHFFFAOYSA-N 1 2 346.416 0.725 20 30 ECEDLO C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc[nH+]cc2O)cc1 ZINC000490539643 439274168 /nfs/dbraw/zinc/27/41/68/439274168.db2.gz RGHYWORLGYORMX-UHFFFAOYSA-N 1 2 331.353 0.373 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1c(C#N)cnn1-c1ccccc1 ZINC000603310493 439238175 /nfs/dbraw/zinc/23/81/75/439238175.db2.gz UIPMRPIZFPJGJV-KRWDZBQOSA-N 1 2 341.415 0.873 20 30 ECEDLO CN(C)S(=O)(=O)c1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)co1 ZINC000581669630 439242158 /nfs/dbraw/zinc/24/21/58/439242158.db2.gz AZQBDZDVNFRCBS-ZDUSSCGKSA-N 1 2 328.394 0.104 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](C)c2cccnc2)CC1 ZINC000490671929 439284713 /nfs/dbraw/zinc/28/47/13/439284713.db2.gz VPQDGPWXAJTYCS-MRXNPFEDSA-N 1 2 342.443 0.859 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](C)c2cccnc2)CC1 ZINC000490671929 439284719 /nfs/dbraw/zinc/28/47/19/439284719.db2.gz VPQDGPWXAJTYCS-MRXNPFEDSA-N 1 2 342.443 0.859 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2ccc(C)cn2)CC1 ZINC000490933138 439313509 /nfs/dbraw/zinc/31/35/09/439313509.db2.gz CWZDBMQKRFBUEM-BQYQJAHWSA-N 1 2 340.427 0.687 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2ccc(C)cn2)CC1 ZINC000490933138 439313513 /nfs/dbraw/zinc/31/35/13/439313513.db2.gz CWZDBMQKRFBUEM-BQYQJAHWSA-N 1 2 340.427 0.687 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN[C@@H](C(=O)OC)C2CCCCC2)CC1 ZINC000490951415 439318466 /nfs/dbraw/zinc/31/84/66/439318466.db2.gz XTIBRSXVBNLYQI-QGZVFWFLSA-N 1 2 335.448 0.475 20 30 ECEDLO COc1cncc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000569367499 439327415 /nfs/dbraw/zinc/32/74/15/439327415.db2.gz DLNJLWIWBSHPMS-UHFFFAOYSA-N 1 2 334.380 0.565 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](CN2C(=O)N[C@](C)(C(C)C)C2=O)CC1 ZINC000491069830 439327803 /nfs/dbraw/zinc/32/78/03/439327803.db2.gz YUOFXNKRHKMZNS-QGZVFWFLSA-N 1 2 334.420 0.372 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2c(C)nn(CC)c2C)CC1 ZINC000490656973 439285906 /nfs/dbraw/zinc/28/59/06/439285906.db2.gz PTAONELNUVMRME-UHFFFAOYSA-N 1 2 345.447 0.417 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c(C)nn(CC)c2C)CC1 ZINC000490656973 439285912 /nfs/dbraw/zinc/28/59/12/439285912.db2.gz PTAONELNUVMRME-UHFFFAOYSA-N 1 2 345.447 0.417 20 30 ECEDLO CC(C)(C#N)C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000598607589 439286251 /nfs/dbraw/zinc/28/62/51/439286251.db2.gz BCMXOTGNONVEBQ-LBPRGKRZSA-N 1 2 341.437 0.017 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)CC1 ZINC000490742130 439292900 /nfs/dbraw/zinc/29/29/00/439292900.db2.gz VJTXXFQNJJHMOK-UHFFFAOYSA-N 1 2 327.306 0.645 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC23CCOCC3)CC1 ZINC000490760298 439296044 /nfs/dbraw/zinc/29/60/44/439296044.db2.gz KSIQFDNTHHTLDI-OAHLLOKOSA-N 1 2 333.432 0.087 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC23CCOCC3)CC1 ZINC000490760298 439296049 /nfs/dbraw/zinc/29/60/49/439296049.db2.gz KSIQFDNTHHTLDI-OAHLLOKOSA-N 1 2 333.432 0.087 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2cccc(C(=O)N(C)C)c2)CC1 ZINC000490800507 439299619 /nfs/dbraw/zinc/29/96/19/439299619.db2.gz SDWMJUBPWYURHN-UHFFFAOYSA-N 1 2 329.400 0.545 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](OCC)C(C)C)CC1 ZINC000490804265 439301090 /nfs/dbraw/zinc/30/10/90/439301090.db2.gz VVXOHTZXMNMPAK-MRXNPFEDSA-N 1 2 337.464 0.721 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](OCC)C(C)C)CC1 ZINC000490804265 439301091 /nfs/dbraw/zinc/30/10/91/439301091.db2.gz VVXOHTZXMNMPAK-MRXNPFEDSA-N 1 2 337.464 0.721 20 30 ECEDLO Cc1nc(NC(=O)[C@@H]2C[N@H+](C)CCO2)n(-c2ccc(C#N)cc2)n1 ZINC000598685263 439303091 /nfs/dbraw/zinc/30/30/91/439303091.db2.gz AOQUMMBMTJCXEE-AWEZNQCLSA-N 1 2 326.360 0.138 20 30 ECEDLO Cc1nc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)n(-c2ccc(C#N)cc2)n1 ZINC000598685263 439303095 /nfs/dbraw/zinc/30/30/95/439303095.db2.gz AOQUMMBMTJCXEE-AWEZNQCLSA-N 1 2 326.360 0.138 20 30 ECEDLO C#CC[N@@H+](C[C@H](O)COc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000490865818 439304184 /nfs/dbraw/zinc/30/41/84/439304184.db2.gz IDDISBNOLADYPG-GJZGRUSLSA-N 1 2 341.404 0.688 20 30 ECEDLO C#CC[N@H+](C[C@H](O)COc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000490865818 439304188 /nfs/dbraw/zinc/30/41/88/439304188.db2.gz IDDISBNOLADYPG-GJZGRUSLSA-N 1 2 341.404 0.688 20 30 ECEDLO C#CC[N@@H+](C[C@@H](O)COc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000490852711 439306113 /nfs/dbraw/zinc/30/61/13/439306113.db2.gz MLVDXVCWQCVTGM-UONOGXRCSA-N 1 2 341.404 0.688 20 30 ECEDLO C#CC[N@H+](C[C@@H](O)COc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000490852711 439306117 /nfs/dbraw/zinc/30/61/17/439306117.db2.gz MLVDXVCWQCVTGM-UONOGXRCSA-N 1 2 341.404 0.688 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC(=O)[C@@H](C)C2)CC1 ZINC000490899891 439309619 /nfs/dbraw/zinc/30/96/19/439309619.db2.gz QVNICMSUKULMRX-LSDHHAIUSA-N 1 2 333.432 0.275 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC(=O)[C@@H](C)C2)CC1 ZINC000490899891 439309622 /nfs/dbraw/zinc/30/96/22/439309622.db2.gz QVNICMSUKULMRX-LSDHHAIUSA-N 1 2 333.432 0.275 20 30 ECEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccc(C#N)o1)C(C)(C)CO ZINC000582252956 439310761 /nfs/dbraw/zinc/31/07/61/439310761.db2.gz XIDFATIQHLHWNJ-GFCCVEGCSA-N 1 2 338.389 0.923 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ncc(C#N)cc1[N+](=O)[O-] ZINC000599129791 439365387 /nfs/dbraw/zinc/36/53/87/439365387.db2.gz HBEOJRQLGNIDKW-INIZCTEOSA-N 1 2 347.375 0.889 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ncc(C#N)cc1[N+](=O)[O-] ZINC000599129791 439365393 /nfs/dbraw/zinc/36/53/93/439365393.db2.gz HBEOJRQLGNIDKW-INIZCTEOSA-N 1 2 347.375 0.889 20 30 ECEDLO C[C@H](O)[C@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000528517590 439344395 /nfs/dbraw/zinc/34/43/95/439344395.db2.gz AUSACXBKVPHSJL-XJKSGUPXSA-N 1 2 328.368 0.368 20 30 ECEDLO C[C@H](O)[C@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000528517590 439344399 /nfs/dbraw/zinc/34/43/99/439344399.db2.gz AUSACXBKVPHSJL-XJKSGUPXSA-N 1 2 328.368 0.368 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000491208972 439348599 /nfs/dbraw/zinc/34/85/99/439348599.db2.gz BCBFLIIRGNWBQX-UHFFFAOYSA-N 1 2 346.387 0.341 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000491209895 439349231 /nfs/dbraw/zinc/34/92/31/439349231.db2.gz NGODQVMLUZYDEX-MRXNPFEDSA-N 1 2 334.464 0.000 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CC(=O)N(CC(C)C)C2CC2)CC1 ZINC000491210463 439349730 /nfs/dbraw/zinc/34/97/30/439349730.db2.gz UVXWAWNAPIOEJF-UHFFFAOYSA-N 1 2 334.464 0.000 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593155570 439350338 /nfs/dbraw/zinc/35/03/38/439350338.db2.gz DTEVLUVOKYOJDP-MRXNPFEDSA-N 1 2 347.375 0.675 20 30 ECEDLO CC(=O)NCC(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000528733803 439366177 /nfs/dbraw/zinc/36/61/77/439366177.db2.gz HQOBTAFCQOUMGR-UHFFFAOYSA-N 1 2 332.379 0.868 20 30 ECEDLO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000528733803 439366182 /nfs/dbraw/zinc/36/61/82/439366182.db2.gz HQOBTAFCQOUMGR-UHFFFAOYSA-N 1 2 332.379 0.868 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cncc(Cl)c2C)CC1 ZINC000491252373 439355821 /nfs/dbraw/zinc/35/58/21/439355821.db2.gz HSQRYJACKPGWHF-UHFFFAOYSA-N 1 2 348.834 0.941 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cncc(Cl)c2C)CC1 ZINC000491252373 439355826 /nfs/dbraw/zinc/35/58/26/439355826.db2.gz HSQRYJACKPGWHF-UHFFFAOYSA-N 1 2 348.834 0.941 20 30 ECEDLO CN(C)c1[nH+]cc(CNS(=O)(=O)c2ccsc2C#N)n1C ZINC000593543508 439399308 /nfs/dbraw/zinc/39/93/08/439399308.db2.gz GBOZTMQCKMHPRR-UHFFFAOYSA-N 1 2 325.419 0.898 20 30 ECEDLO C#CCN1C(=O)C[C@@H]([N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)C1=O ZINC000491542819 439402530 /nfs/dbraw/zinc/40/25/30/439402530.db2.gz CHTGZLRKFSUEJO-KUHUBIRLSA-N 1 2 338.363 0.857 20 30 ECEDLO C#CCN1C(=O)C[C@@H]([N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)C1=O ZINC000491542819 439402536 /nfs/dbraw/zinc/40/25/36/439402536.db2.gz CHTGZLRKFSUEJO-KUHUBIRLSA-N 1 2 338.363 0.857 20 30 ECEDLO C#CCN1C(=O)C[C@@H]([NH+]2CCC3(CC2)CCS(=O)(=O)CC3)C1=O ZINC000491623590 439413772 /nfs/dbraw/zinc/41/37/72/439413772.db2.gz PZVPVJRQOXRSOM-CYBMUJFWSA-N 1 2 338.429 0.038 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cn(C(C)C)nc2C)CC1 ZINC000491647180 439418454 /nfs/dbraw/zinc/41/84/54/439418454.db2.gz WVKPYDARVQJCNX-UHFFFAOYSA-N 1 2 345.447 0.670 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cn(C(C)C)nc2C)CC1 ZINC000491647180 439418458 /nfs/dbraw/zinc/41/84/58/439418458.db2.gz WVKPYDARVQJCNX-UHFFFAOYSA-N 1 2 345.447 0.670 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/C2(C)CCOCC2)CC1 ZINC000491665221 439421092 /nfs/dbraw/zinc/42/10/92/439421092.db2.gz KHENEIUMZOUUPL-AATRIKPKSA-N 1 2 347.459 0.643 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/C2(C)CCOCC2)CC1 ZINC000491665221 439421095 /nfs/dbraw/zinc/42/10/95/439421095.db2.gz KHENEIUMZOUUPL-AATRIKPKSA-N 1 2 347.459 0.643 20 30 ECEDLO C#CCN(C(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)C1CCCC1 ZINC000491663870 439421705 /nfs/dbraw/zinc/42/17/05/439421705.db2.gz SCGGPGZBZXUXSU-UHFFFAOYSA-N 1 2 343.431 0.458 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H](OC)C2)CC1 ZINC000491658761 439421946 /nfs/dbraw/zinc/42/19/46/439421946.db2.gz WIHBKBULVWFPQS-HZPDHXFCSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H](OC)C2)CC1 ZINC000491658761 439421950 /nfs/dbraw/zinc/42/19/50/439421950.db2.gz WIHBKBULVWFPQS-HZPDHXFCSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)COc2ccsc2)CC1 ZINC000491748266 439441594 /nfs/dbraw/zinc/44/15/94/439441594.db2.gz SWWNSLQBROAVHW-UHFFFAOYSA-N 1 2 335.429 0.411 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)COc2ccsc2)CC1 ZINC000491748266 439441599 /nfs/dbraw/zinc/44/15/99/439441599.db2.gz SWWNSLQBROAVHW-UHFFFAOYSA-N 1 2 335.429 0.411 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCO[C@H]2CC)CC1 ZINC000491755097 439443389 /nfs/dbraw/zinc/44/33/89/439443389.db2.gz XVPVMTMCDXRXDR-CVEARBPZSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCO[C@H]2CC)CC1 ZINC000491755097 439443394 /nfs/dbraw/zinc/44/33/94/439443394.db2.gz XVPVMTMCDXRXDR-CVEARBPZSA-N 1 2 335.448 0.475 20 30 ECEDLO C#C[C@H]1COCCN1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000491770875 439445613 /nfs/dbraw/zinc/44/56/13/439445613.db2.gz QNMNIXSQWRMYFV-ROUUACIJSA-N 1 2 343.427 0.931 20 30 ECEDLO C#C[C@H]1COCCN1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000491770875 439445616 /nfs/dbraw/zinc/44/56/16/439445616.db2.gz QNMNIXSQWRMYFV-ROUUACIJSA-N 1 2 343.427 0.931 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@@H](C)c2cc(C(=O)OC)c(C)o2)CC1 ZINC000491776876 439448519 /nfs/dbraw/zinc/44/85/19/439448519.db2.gz FMFQFDLNJUAAJZ-ZDUSSCGKSA-N 1 2 347.415 0.803 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@@H](Nc2ccc(C#N)c(N)n2)C1=O ZINC000570816862 439452552 /nfs/dbraw/zinc/45/25/52/439452552.db2.gz XSCVRWDIPARKRK-GFCCVEGCSA-N 1 2 325.376 0.872 20 30 ECEDLO CN(C)C[C@](C)(C#N)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000571734513 439525757 /nfs/dbraw/zinc/52/57/57/439525757.db2.gz MUOVUORPBPGMLL-WMZOPIPTSA-N 1 2 330.432 0.847 20 30 ECEDLO CN(C)C[C@](C)(C#N)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000571734513 439525763 /nfs/dbraw/zinc/52/57/63/439525763.db2.gz MUOVUORPBPGMLL-WMZOPIPTSA-N 1 2 330.432 0.847 20 30 ECEDLO COC(=O)[C@@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000609137230 439552391 /nfs/dbraw/zinc/55/23/91/439552391.db2.gz XBCKQEQXHPQTPL-HOCLYGCPSA-N 1 2 334.372 0.366 20 30 ECEDLO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000609137230 439552396 /nfs/dbraw/zinc/55/23/96/439552396.db2.gz XBCKQEQXHPQTPL-HOCLYGCPSA-N 1 2 334.372 0.366 20 30 ECEDLO C[C@@H](O)CN1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000609260341 439557788 /nfs/dbraw/zinc/55/77/88/439557788.db2.gz WCEHCVWHHJAMAN-NVXWUHKLSA-N 1 2 333.432 0.491 20 30 ECEDLO C=CCn1cc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)nn1 ZINC000584227038 439566148 /nfs/dbraw/zinc/56/61/48/439566148.db2.gz CEBHWMIGMOVJOH-UHFFFAOYSA-N 1 2 332.389 0.294 20 30 ECEDLO C[C@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471278 439566725 /nfs/dbraw/zinc/56/67/25/439566725.db2.gz AEZBKVVGNOFQMU-SYQHCUMBSA-N 1 2 332.470 0.410 20 30 ECEDLO C[C@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471278 439566728 /nfs/dbraw/zinc/56/67/28/439566728.db2.gz AEZBKVVGNOFQMU-SYQHCUMBSA-N 1 2 332.470 0.410 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000609458470 439571297 /nfs/dbraw/zinc/57/12/97/439571297.db2.gz DVLVEJCZTDSUKY-HNNXBMFYSA-N 1 2 339.403 0.968 20 30 ECEDLO Cc1cc(N2CCC(N3CCS(=O)(=O)CC3)CC2)c(C#N)c[nH+]1 ZINC000584347227 439579854 /nfs/dbraw/zinc/57/98/54/439579854.db2.gz OPKCTNLWDDADKZ-UHFFFAOYSA-N 1 2 334.445 0.961 20 30 ECEDLO COc1cc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)c(F)cc1C#N ZINC000599947731 439584485 /nfs/dbraw/zinc/58/44/85/439584485.db2.gz NCBVJVPGWTWSAQ-UHFFFAOYSA-N 1 2 346.362 0.951 20 30 ECEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604642 439630566 /nfs/dbraw/zinc/63/05/66/439630566.db2.gz YLFZHUDJQDCMAR-VBNZEHGJSA-N 1 2 335.379 0.888 20 30 ECEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604642 439630571 /nfs/dbraw/zinc/63/05/71/439630571.db2.gz YLFZHUDJQDCMAR-VBNZEHGJSA-N 1 2 335.379 0.888 20 30 ECEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](O)C[C@H](O)C2)cc1 ZINC000610604366 439631102 /nfs/dbraw/zinc/63/11/02/439631102.db2.gz OBHMWZHLZHHJAC-IYBDPMFKSA-N 1 2 347.415 0.759 20 30 ECEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](O)C[C@H](O)C2)cc1 ZINC000610604366 439631106 /nfs/dbraw/zinc/63/11/06/439631106.db2.gz OBHMWZHLZHHJAC-IYBDPMFKSA-N 1 2 347.415 0.759 20 30 ECEDLO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCOC[C@@H]2C)ncc1C#N ZINC000573218493 439635212 /nfs/dbraw/zinc/63/52/12/439635212.db2.gz IFMFVXSHODXZOT-LBPRGKRZSA-N 1 2 331.376 0.037 20 30 ECEDLO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCOC[C@@H]2C)ncc1C#N ZINC000573218493 439635214 /nfs/dbraw/zinc/63/52/14/439635214.db2.gz IFMFVXSHODXZOT-LBPRGKRZSA-N 1 2 331.376 0.037 20 30 ECEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000585731133 439646549 /nfs/dbraw/zinc/64/65/49/439646549.db2.gz NXNMHBITWRVTGK-NSHDSACASA-N 1 2 329.335 0.715 20 30 ECEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@]2(C(N)=O)CCOC2)c1 ZINC000573455769 439647382 /nfs/dbraw/zinc/64/73/82/439647382.db2.gz POCNDOYDCYOTSE-SFHVURJKSA-N 1 2 344.415 0.784 20 30 ECEDLO Cc1cc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)ncc1C#N ZINC000595152955 439662851 /nfs/dbraw/zinc/66/28/51/439662851.db2.gz NAVZJFCJCKTJKQ-AWEZNQCLSA-N 1 2 343.387 0.133 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(Cc2ccnc(C#N)c2)CC1 ZINC000610992618 439664221 /nfs/dbraw/zinc/66/42/21/439664221.db2.gz VFSJERMVJZHHDW-OAHLLOKOSA-N 1 2 345.447 0.612 20 30 ECEDLO CN(CCC#N)S(=O)(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000595354953 439712096 /nfs/dbraw/zinc/71/20/96/439712096.db2.gz PNORFARWDDYFCQ-UHFFFAOYSA-N 1 2 330.454 0.121 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCNC3=O)CC2)cc1 ZINC000600946383 439716956 /nfs/dbraw/zinc/71/69/56/439716956.db2.gz UCOBIQJCWUGHIB-MRXNPFEDSA-N 1 2 326.400 0.729 20 30 ECEDLO COC(=O)c1cccc(CN(CCO)CC[NH+]2CCOCC2)c1C#N ZINC000611127056 439674392 /nfs/dbraw/zinc/67/43/92/439674392.db2.gz AEDBMQWONYABMZ-UHFFFAOYSA-N 1 2 347.415 0.471 20 30 ECEDLO COC(=O)c1cccc(C[N@H+](CCO)CCN2CCOCC2)c1C#N ZINC000611127056 439674395 /nfs/dbraw/zinc/67/43/95/439674395.db2.gz AEDBMQWONYABMZ-UHFFFAOYSA-N 1 2 347.415 0.471 20 30 ECEDLO COC(=O)c1cccc(C[N@@H+](CCO)CCN2CCOCC2)c1C#N ZINC000611127056 439674399 /nfs/dbraw/zinc/67/43/99/439674399.db2.gz AEDBMQWONYABMZ-UHFFFAOYSA-N 1 2 347.415 0.471 20 30 ECEDLO C[N@H+](CCN1CCCS1(=O)=O)Cc1cnc2ccc(C#N)cn12 ZINC000611276850 439686559 /nfs/dbraw/zinc/68/65/59/439686559.db2.gz XHVLGCFEKMVPGW-UHFFFAOYSA-N 1 2 333.417 0.673 20 30 ECEDLO C[N@@H+](CCN1CCCS1(=O)=O)Cc1cnc2ccc(C#N)cn12 ZINC000611276850 439686562 /nfs/dbraw/zinc/68/65/62/439686562.db2.gz XHVLGCFEKMVPGW-UHFFFAOYSA-N 1 2 333.417 0.673 20 30 ECEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N2CCOC[C@@H]2C2CC2)CC1 ZINC000611431819 439697350 /nfs/dbraw/zinc/69/73/50/439697350.db2.gz CDEKHTOUUZRYGC-DLBZAZTESA-N 1 2 334.464 0.790 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N2CC[C@@](F)(C#N)C2)C1=O ZINC000615548752 439802238 /nfs/dbraw/zinc/80/22/38/439802238.db2.gz GFLYHZWCEXZKLQ-MLGOLLRUSA-N 1 2 348.382 0.558 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[NH+](CCOCCOC)CC2)nn1 ZINC000652996442 440033210 /nfs/dbraw/zinc/03/32/10/440033210.db2.gz ATHUKABEGBOCHL-UHFFFAOYSA-N 1 2 337.424 0.275 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656080862 440715469 /nfs/dbraw/zinc/71/54/69/440715469.db2.gz JCJOQXKMTZUEKV-KFWWJZLASA-N 1 2 341.452 0.261 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656080862 440715477 /nfs/dbraw/zinc/71/54/77/440715477.db2.gz JCJOQXKMTZUEKV-KFWWJZLASA-N 1 2 341.452 0.261 20 30 ECEDLO C=CCn1cc(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)nn1 ZINC000644967461 440724639 /nfs/dbraw/zinc/72/46/39/440724639.db2.gz LGOXLWUUUUOPSH-UHFFFAOYSA-N 1 2 327.392 0.891 20 30 ECEDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCC#CCO)CC1 ZINC000639499179 440732145 /nfs/dbraw/zinc/73/21/45/440732145.db2.gz GTPJBAQLAXUMTI-UHFFFAOYSA-N 1 2 330.388 0.191 20 30 ECEDLO CC#CC[C@H](CO)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000645114455 440750604 /nfs/dbraw/zinc/75/06/04/440750604.db2.gz FZRHXRSBEOPXJZ-QZTJIDSGSA-N 1 2 345.443 0.961 20 30 ECEDLO CC#CC[C@H](CO)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000645114455 440750609 /nfs/dbraw/zinc/75/06/09/440750609.db2.gz FZRHXRSBEOPXJZ-QZTJIDSGSA-N 1 2 345.443 0.961 20 30 ECEDLO C=CCN(CC=C)C(=O)CN1CC[NH+](CCc2cnccn2)CC1 ZINC000640101023 440868909 /nfs/dbraw/zinc/86/89/09/440868909.db2.gz PZTDOGKECBGMHR-UHFFFAOYSA-N 1 2 329.448 0.837 20 30 ECEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(CCc2cnccn2)CC1 ZINC000640101023 440868914 /nfs/dbraw/zinc/86/89/14/440868914.db2.gz PZTDOGKECBGMHR-UHFFFAOYSA-N 1 2 329.448 0.837 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)NCCc2ccc(F)cc2)nn1 ZINC000640778202 440986486 /nfs/dbraw/zinc/98/64/86/440986486.db2.gz LUGYDRQWPUOSTH-UHFFFAOYSA-N 1 2 329.379 0.889 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C(C)C)C3COC3)CC2)o1 ZINC000560278671 322231853 /nfs/dbraw/zinc/23/18/53/322231853.db2.gz CTMZHMAKVKSRCZ-UHFFFAOYSA-N 1 2 347.419 0.613 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C(C)C)C3COC3)CC2)o1 ZINC000560278671 322231855 /nfs/dbraw/zinc/23/18/55/322231855.db2.gz CTMZHMAKVKSRCZ-UHFFFAOYSA-N 1 2 347.419 0.613 20 30 ECEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCn1cnc(C#N)n1)C2 ZINC000561296589 322258788 /nfs/dbraw/zinc/25/87/88/322258788.db2.gz ZWWJMCGAVDKTER-NSHDSACASA-N 1 2 327.392 0.918 20 30 ECEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCn1cnc(C#N)n1)CC2 ZINC000561296589 322258790 /nfs/dbraw/zinc/25/87/90/322258790.db2.gz ZWWJMCGAVDKTER-NSHDSACASA-N 1 2 327.392 0.918 20 30 ECEDLO C[C@@H]1CN(C(=O)C[NH+]2CCN(c3cnccc3C#N)CC2)C[C@@H](C)O1 ZINC000565339935 322450313 /nfs/dbraw/zinc/45/03/13/322450313.db2.gz DEAOXBJOBHJDNJ-HUUCEWRRSA-N 1 2 343.431 0.711 20 30 ECEDLO N#Cc1ncccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000566561234 322542498 /nfs/dbraw/zinc/54/24/98/322542498.db2.gz NNXSGMGVQFMKRH-CQSZACIVSA-N 1 2 329.385 0.683 20 30 ECEDLO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1cnc([C@@H]2CCCO2)s1 ZINC000328899375 546008969 /nfs/dbraw/zinc/00/89/69/546008969.db2.gz XHKFMVHFDAQEKJ-RYUDHWBXSA-N 1 2 341.433 0.992 20 30 ECEDLO C=CCn1c([C@@H]2CCOC2)nnc1N1CC[NH+](CC(=O)NCC)CC1 ZINC000337837190 546067981 /nfs/dbraw/zinc/06/79/81/546067981.db2.gz CRTZPROYULFRKJ-CQSZACIVSA-N 1 2 348.451 0.226 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000459050908 546246757 /nfs/dbraw/zinc/24/67/57/546246757.db2.gz XFODDAREZFMPMI-CABCVRRESA-N 1 2 327.425 0.056 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2C(N)=O)CC1 ZINC000621385877 546511742 /nfs/dbraw/zinc/51/17/42/546511742.db2.gz YSNVQAOSAQNHTG-GFCCVEGCSA-N 1 2 334.395 0.737 20 30 ECEDLO C=CCn1c([C@@H]2C[N@@H+](C)C[C@@H](C)O2)nnc1N1CCn2nncc2C1 ZINC000669011056 547807550 /nfs/dbraw/zinc/80/75/50/547807550.db2.gz IOPGFVGCODHODD-OCCSQVGLSA-N 1 2 344.423 0.467 20 30 ECEDLO C=CCn1c([C@@H]2C[N@H+](C)C[C@@H](C)O2)nnc1N1CCn2nncc2C1 ZINC000669011056 547807556 /nfs/dbraw/zinc/80/75/56/547807556.db2.gz IOPGFVGCODHODD-OCCSQVGLSA-N 1 2 344.423 0.467 20 30 ECEDLO C=CCn1c(COC)nnc1N1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000669818063 547936895 /nfs/dbraw/zinc/93/68/95/547936895.db2.gz FOWZINQFKJIHLL-UHFFFAOYSA-N 1 2 336.440 0.257 20 30 ECEDLO C=CCN1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)nn2)C1=O ZINC000684988236 549643061 /nfs/dbraw/zinc/64/30/61/549643061.db2.gz RWSICJHUSKUVPT-CYBMUJFWSA-N 1 2 326.360 0.521 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3scnc3C)C[C@H]2O)cn1 ZINC001078032376 782179519 /nfs/dbraw/zinc/17/95/19/782179519.db2.gz KZUZKPUSTSCAIK-HUUCEWRRSA-N 1 2 342.424 0.803 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3scnc3C)C[C@H]2O)cn1 ZINC001078032376 782179526 /nfs/dbraw/zinc/17/95/26/782179526.db2.gz KZUZKPUSTSCAIK-HUUCEWRRSA-N 1 2 342.424 0.803 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000749989101 579345793 /nfs/dbraw/zinc/34/57/93/579345793.db2.gz DBFPQMJJUXEGSH-UHFFFAOYSA-N 1 2 347.415 0.902 20 30 ECEDLO CCc1ncc(C=NNC(=S)NCC[NH+]2CCOCC2)s1 ZINC000752161595 579381482 /nfs/dbraw/zinc/38/14/82/579381482.db2.gz YHJVPSYTYOOPHR-UHFFFAOYSA-N 1 2 327.479 0.836 20 30 ECEDLO N#Cc1ccc([C@@H](O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000752930473 579392512 /nfs/dbraw/zinc/39/25/12/579392512.db2.gz FNLMDNRPQNOSHW-DLBZAZTESA-N 1 2 329.400 0.915 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(OC)cc2C(=O)OC)CC1 ZINC000754301575 579415904 /nfs/dbraw/zinc/41/59/04/579415904.db2.gz MELRRVWWCYUWKY-UHFFFAOYSA-N 1 2 345.399 0.671 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CC1 ZINC000754793299 579423871 /nfs/dbraw/zinc/42/38/71/579423871.db2.gz PTRFWWKVATXQCN-UHFFFAOYSA-N 1 2 341.393 0.141 20 30 ECEDLO C#CCOCCC(=O)OCC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000756303681 579448344 /nfs/dbraw/zinc/44/83/44/579448344.db2.gz OEELOEVEBWYDKE-UHFFFAOYSA-N 1 2 334.372 0.507 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)CC1 ZINC000725906176 578135281 /nfs/dbraw/zinc/13/52/81/578135281.db2.gz XDBSXYCMZRYIRL-UHFFFAOYSA-N 1 2 326.400 0.986 20 30 ECEDLO C[C@H](NC(=O)NCCNc1ccc(C#N)cn1)[C@H](C)[NH+]1CCOCC1 ZINC000729592070 578297147 /nfs/dbraw/zinc/29/71/47/578297147.db2.gz FNFDQSTVYYEKHQ-KBPBESRZSA-N 1 2 346.435 0.774 20 30 ECEDLO C#CCOc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000731129830 578310608 /nfs/dbraw/zinc/31/06/08/578310608.db2.gz QGQMGNAIENJUFN-AWEZNQCLSA-N 1 2 345.399 0.474 20 30 ECEDLO C#CCOc1cccc(NC(=O)C(=O)NCC[N@H+]2CCO[C@@H](C)C2)c1 ZINC000731129830 578310609 /nfs/dbraw/zinc/31/06/09/578310609.db2.gz QGQMGNAIENJUFN-AWEZNQCLSA-N 1 2 345.399 0.474 20 30 ECEDLO C#CCOc1ccc(NC(=O)C(=O)NCC[N@H+]2CCOC[C@H]2C)cc1 ZINC000731130498 578310622 /nfs/dbraw/zinc/31/06/22/578310622.db2.gz PAHARGQYMCBTKC-CQSZACIVSA-N 1 2 345.399 0.474 20 30 ECEDLO C#CCOc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCOC[C@H]2C)cc1 ZINC000731130498 578310623 /nfs/dbraw/zinc/31/06/23/578310623.db2.gz PAHARGQYMCBTKC-CQSZACIVSA-N 1 2 345.399 0.474 20 30 ECEDLO C=CCNC(=O)NC(=O)COC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000731915051 578317422 /nfs/dbraw/zinc/31/74/22/578317422.db2.gz USNLBPMVJQXEII-UHFFFAOYSA-N 1 2 330.344 0.740 20 30 ECEDLO CC(=CS(C)(=O)=O)NNc1ccc(S(=O)(=O)NC2CC2)c[nH+]1 ZINC000732528197 578326992 /nfs/dbraw/zinc/32/69/92/578326992.db2.gz FPDBSJQENYKCHK-UHFFFAOYSA-N 1 2 346.434 0.355 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000735382247 578383093 /nfs/dbraw/zinc/38/30/93/578383093.db2.gz WMFWIHJSORTHDH-CYBMUJFWSA-N 1 2 339.403 0.127 20 30 ECEDLO CC(=NNC(=S)NCC(N)=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735614538 578391217 /nfs/dbraw/zinc/39/12/17/578391217.db2.gz AFLFKBJVIUHPQJ-AWEZNQCLSA-N 1 2 349.460 0.213 20 30 ECEDLO CC(=NNC(=S)NCC(N)=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735614538 578391218 /nfs/dbraw/zinc/39/12/18/578391218.db2.gz AFLFKBJVIUHPQJ-AWEZNQCLSA-N 1 2 349.460 0.213 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@H](C(F)(F)F)OC[C@H]2C)CC1 ZINC000796307450 578624303 /nfs/dbraw/zinc/62/43/03/578624303.db2.gz KTLUQRNGSXQOBP-CHWSQXEVSA-N 1 2 333.354 0.415 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1 ZINC000798155213 578640021 /nfs/dbraw/zinc/64/00/21/578640021.db2.gz DSNVEBOHURKEFW-UHFFFAOYSA-N 1 2 347.382 0.702 20 30 ECEDLO C[C@H](C(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1)n1cnc(C#N)n1 ZINC000798970322 578654870 /nfs/dbraw/zinc/65/48/70/578654870.db2.gz IVKXEWAISUPVJD-GHMZBOCLSA-N 1 2 333.421 0.346 20 30 ECEDLO Cc1nn(C(C)C)cc1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000799106222 578658023 /nfs/dbraw/zinc/65/80/23/578658023.db2.gz ZBVDFTSWDQWGCF-UHFFFAOYSA-N 1 2 338.481 0.903 20 30 ECEDLO C=CCN1CC[C@@H](N(C)CN2C[C@@H](c3c[nH+]cn3C)CC2=O)C1=O ZINC000799142512 578659220 /nfs/dbraw/zinc/65/92/20/578659220.db2.gz VIHYCMUKTPAIJV-UONOGXRCSA-N 1 2 331.420 0.412 20 30 ECEDLO C#CCC[C@H](O)CNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000799821507 578670573 /nfs/dbraw/zinc/67/05/73/578670573.db2.gz WUPTXPNJAXTUKP-HNNXBMFYSA-N 1 2 333.413 0.984 20 30 ECEDLO Nc1ncc(C=[NH+]Nc2ccc(S(=O)(=O)N3CCCC3)cn2)cn1 ZINC000781590245 578711995 /nfs/dbraw/zinc/71/19/95/578711995.db2.gz WOCLCXOJZPWLQP-UHFFFAOYSA-N 1 2 347.404 0.684 20 30 ECEDLO C=CCS(=O)(=O)CCNc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000782887673 578735326 /nfs/dbraw/zinc/73/53/26/578735326.db2.gz PJVRMEQPONLKOA-UHFFFAOYSA-N 1 2 345.388 0.618 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2nnn(Cc3noc(C)n3)c2C)CC1 ZINC000787285361 578803629 /nfs/dbraw/zinc/80/36/29/578803629.db2.gz ZGHZGGXYQMGLJL-UHFFFAOYSA-N 1 2 343.391 0.107 20 30 ECEDLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)CC(C)(C)C#N)[C@H](C)C1 ZINC000790044538 578867017 /nfs/dbraw/zinc/86/70/17/578867017.db2.gz ZRKZNDASJFLNJD-GFCCVEGCSA-N 1 2 331.438 0.435 20 30 ECEDLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)CC(C)(C)C#N)[C@H](C)C1 ZINC000790044538 578867018 /nfs/dbraw/zinc/86/70/18/578867018.db2.gz ZRKZNDASJFLNJD-GFCCVEGCSA-N 1 2 331.438 0.435 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1)[C@@H]1CCCO1 ZINC000793867870 578941789 /nfs/dbraw/zinc/94/17/89/578941789.db2.gz TYRDLYXXBTVTDD-SJORKVTESA-N 1 2 341.411 0.415 20 30 ECEDLO NC(=NOCCC1OCCO1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000767547974 579111154 /nfs/dbraw/zinc/11/11/54/579111154.db2.gz KBBGWKRPLYKJJO-UHFFFAOYSA-N 1 2 335.404 0.919 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000769209079 579140828 /nfs/dbraw/zinc/14/08/28/579140828.db2.gz ZJIRPPHBROOGGB-GOSISDBHSA-N 1 2 340.383 0.132 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2nccn3c(Br)cnc23)CC1 ZINC000769842347 579153834 /nfs/dbraw/zinc/15/38/34/579153834.db2.gz MCMUACUWLFXGEA-UHFFFAOYSA-N 1 2 348.204 0.883 20 30 ECEDLO C[N@H+](CC(=O)OCC(=O)N(CCC#N)CCC#N)[C@@H]1CCSC1 ZINC000772051135 579199506 /nfs/dbraw/zinc/19/95/06/579199506.db2.gz YSHYBFJWNHBWJA-CYBMUJFWSA-N 1 2 338.433 0.623 20 30 ECEDLO C[N@@H+](CC(=O)OCC(=O)N(CCC#N)CCC#N)[C@@H]1CCSC1 ZINC000772051135 579199507 /nfs/dbraw/zinc/19/95/07/579199507.db2.gz YSHYBFJWNHBWJA-CYBMUJFWSA-N 1 2 338.433 0.623 20 30 ECEDLO C#C[C@@H]([NH2+]Cc1nnc2n1c1ccccc1c(=O)n2C)[C@H]1CCCO1 ZINC000775795591 579271615 /nfs/dbraw/zinc/27/16/15/579271615.db2.gz XWGPPFHWDFKWDR-UKRRQHHQSA-N 1 2 337.383 0.852 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2nc(C(=O)OC)c3c2CCCC3)CC1 ZINC000778040737 579305505 /nfs/dbraw/zinc/30/55/05/579305505.db2.gz UYANWIBRKMCFCW-UHFFFAOYSA-N 1 2 344.415 0.326 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccccc1CO ZINC000779619204 579318705 /nfs/dbraw/zinc/31/87/05/579318705.db2.gz MBRNXWMCEDQCEZ-UHFFFAOYSA-N 1 2 331.416 0.796 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000761030284 579519743 /nfs/dbraw/zinc/51/97/43/579519743.db2.gz FVNNSXRVHLDKEQ-ZDUSSCGKSA-N 1 2 325.409 0.972 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000761031850 579519764 /nfs/dbraw/zinc/51/97/64/579519764.db2.gz WZBVENQUGWISPS-MRXNPFEDSA-N 1 2 337.420 0.898 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2sc(C)nc2C)CC1 ZINC000761031148 579519821 /nfs/dbraw/zinc/51/98/21/579519821.db2.gz OQKGWOIDQPYNCL-UHFFFAOYSA-N 1 2 328.463 0.345 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cccc(COC)c2)CC1 ZINC000761032141 579519898 /nfs/dbraw/zinc/51/98/98/579519898.db2.gz FSVBEPCAXMJMSU-UHFFFAOYSA-N 1 2 337.445 0.418 20 30 ECEDLO COCc1ccc(C=NNC(=S)NCC[NH+]2CCOCC2)o1 ZINC000764658829 579579222 /nfs/dbraw/zinc/57/92/22/579579222.db2.gz JWBICMPHMRKQOR-UHFFFAOYSA-N 1 2 326.422 0.556 20 30 ECEDLO Nc1ncccc1C=[NH+]Nc1ccc(S(=O)(=O)NC2CC2)cn1 ZINC000764680462 579579243 /nfs/dbraw/zinc/57/92/43/579579243.db2.gz CEFWMMXSODXYGD-UHFFFAOYSA-N 1 2 332.389 0.946 20 30 ECEDLO C#CCNC(=O)[C@H](C)OC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741354210 579772534 /nfs/dbraw/zinc/77/25/34/579772534.db2.gz MPHUISCUKYGVOD-RDJZCZTQSA-N 1 2 344.411 0.959 20 30 ECEDLO C#CCNC(=O)[C@H](C)OC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741354210 579772536 /nfs/dbraw/zinc/77/25/36/579772536.db2.gz MPHUISCUKYGVOD-RDJZCZTQSA-N 1 2 344.411 0.959 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNC(=O)NCc2ccc(C)cc2)CC1 ZINC000744425365 579809340 /nfs/dbraw/zinc/80/93/40/579809340.db2.gz KTMUVMHHBGXMEX-UHFFFAOYSA-N 1 2 328.416 0.572 20 30 ECEDLO O=S(=O)(c1ccccc1N=NCc1[nH]cc[nH+]1)N1CCOCC1 ZINC000745200231 579820182 /nfs/dbraw/zinc/82/01/82/579820182.db2.gz CKQKRPKCWXKIBW-UHFFFAOYSA-N 1 2 335.389 0.877 20 30 ECEDLO Cc1cc(NC(=O)CN=C2NS(=O)(=O)c3ccccc32)c(C)c[nH+]1 ZINC000747526637 579852807 /nfs/dbraw/zinc/85/28/07/579852807.db2.gz QCBIYJZSEXAIHF-UHFFFAOYSA-N 1 2 344.396 0.798 20 30 ECEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000747840965 579855134 /nfs/dbraw/zinc/85/51/34/579855134.db2.gz WNOJZFIZLDRSLW-IAGOWNOFSA-N 1 2 334.464 0.932 20 30 ECEDLO C[C@@H](CC(=O)NCc1c[nH+]c[nH]1)N=C1NS(=O)(=O)c2ccccc21 ZINC000748322262 579857666 /nfs/dbraw/zinc/85/76/66/579857666.db2.gz WZJXKFMKXRHIQR-JTQLQIEISA-N 1 2 347.400 0.543 20 30 ECEDLO C[C@@H](CC(=O)NCc1c[nH]c[nH+]1)N=C1NS(=O)(=O)c2ccccc21 ZINC000748322262 579857667 /nfs/dbraw/zinc/85/76/67/579857667.db2.gz WZJXKFMKXRHIQR-JTQLQIEISA-N 1 2 347.400 0.543 20 30 ECEDLO C#CCO[C@H](C)C(=O)OCC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000837844215 588962743 /nfs/dbraw/zinc/96/27/43/588962743.db2.gz XQNMYAJSNMYURN-CQSZACIVSA-N 1 2 334.372 0.505 20 30 ECEDLO N#Cc1cc(F)cc(S(=O)(=O)N2CC(C[NH+]3CCOCC3)C2)c1 ZINC000867290834 589026253 /nfs/dbraw/zinc/02/62/53/589026253.db2.gz BLTNOOKSGRAJMB-UHFFFAOYSA-N 1 2 339.392 0.650 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cnn3c2CCCC3)C1 ZINC000891602262 586180994 /nfs/dbraw/zinc/18/09/94/586180994.db2.gz KHBMISSBWUPALA-ZDUSSCGKSA-N 1 2 329.404 0.372 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cnn3c2CCCC3)C1 ZINC000891602262 586180995 /nfs/dbraw/zinc/18/09/95/586180995.db2.gz KHBMISSBWUPALA-ZDUSSCGKSA-N 1 2 329.404 0.372 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(=O)n(CC)c2)C1 ZINC000891606653 586181944 /nfs/dbraw/zinc/18/19/44/586181944.db2.gz OMPHIWTVSLMJIM-ZDUSSCGKSA-N 1 2 330.388 0.021 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(=O)n(CC)c2)C1 ZINC000891606653 586181946 /nfs/dbraw/zinc/18/19/46/586181946.db2.gz OMPHIWTVSLMJIM-ZDUSSCGKSA-N 1 2 330.388 0.021 20 30 ECEDLO C#CC1(O)CN(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2OC)C1 ZINC000891675246 586187646 /nfs/dbraw/zinc/18/76/46/586187646.db2.gz QEARDTJXSDKUEQ-HNNXBMFYSA-N 1 2 340.383 0.908 20 30 ECEDLO C[C@]1(C#N)CN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)CCO1 ZINC000891845898 586200361 /nfs/dbraw/zinc/20/03/61/586200361.db2.gz VUUFRRILNUEHAE-KRWDZBQOSA-N 1 2 345.403 0.742 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000895914834 586211954 /nfs/dbraw/zinc/21/19/54/586211954.db2.gz PWRCPFGLPAWKDP-UHFFFAOYSA-N 1 2 337.401 0.001 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](CC(C)(C)CC(=O)OCC)CC1 ZINC000895921586 586213283 /nfs/dbraw/zinc/21/32/83/586213283.db2.gz NSTSQQDIWLCCQX-UHFFFAOYSA-N 1 2 345.465 0.051 20 30 ECEDLO COC(=O)c1ccc(N2CC[NH+](Cc3cn[nH]c3)CC2)c(C#N)n1 ZINC000895959809 586214789 /nfs/dbraw/zinc/21/47/89/586214789.db2.gz HVFZAVGCRXISNB-UHFFFAOYSA-N 1 2 326.360 0.785 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CC[C@H](C)S(=O)(=O)C2)C1 ZINC000889352988 586253872 /nfs/dbraw/zinc/25/38/72/586253872.db2.gz PVTRUDXIVGAJEP-IHRRRGAJSA-N 1 2 327.450 0.349 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CC[C@H](C)S(=O)(=O)C2)C1 ZINC000889352988 586253874 /nfs/dbraw/zinc/25/38/74/586253874.db2.gz PVTRUDXIVGAJEP-IHRRRGAJSA-N 1 2 327.450 0.349 20 30 ECEDLO C=CCNc1ncc(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)s1 ZINC000899059439 586467890 /nfs/dbraw/zinc/46/78/90/586467890.db2.gz KQJHMIJCWVLNIJ-UHFFFAOYSA-N 1 2 338.433 0.920 20 30 ECEDLO C=CCNc1ncc(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)s1 ZINC000899059439 586467891 /nfs/dbraw/zinc/46/78/91/586467891.db2.gz KQJHMIJCWVLNIJ-UHFFFAOYSA-N 1 2 338.433 0.920 20 30 ECEDLO Cn1cc(N2C(=O)C[C@@H]([NH+]3CCC4(CC3)CC(=O)C=CO4)C2=O)cn1 ZINC000899253238 586478557 /nfs/dbraw/zinc/47/85/57/586478557.db2.gz KWZJDBHXKNZCRP-CQSZACIVSA-N 1 2 344.371 0.390 20 30 ECEDLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@@]2(C#N)CCSC2)C1 ZINC000900463921 586633551 /nfs/dbraw/zinc/63/35/51/586633551.db2.gz IIYHONSNXJWFRJ-SWLSCSKDSA-N 1 2 325.434 0.777 20 30 ECEDLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@@]2(C#N)CCSC2)C1 ZINC000900463921 586633553 /nfs/dbraw/zinc/63/35/53/586633553.db2.gz IIYHONSNXJWFRJ-SWLSCSKDSA-N 1 2 325.434 0.777 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2c(C)[nH]nc2Cl)CC1 ZINC000900585191 586647968 /nfs/dbraw/zinc/64/79/68/586647968.db2.gz IVEJYWPAMKEXSP-UHFFFAOYSA-N 1 2 337.811 0.269 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c(C)[nH]nc2Cl)CC1 ZINC000900585191 586647970 /nfs/dbraw/zinc/64/79/70/586647970.db2.gz IVEJYWPAMKEXSP-UHFFFAOYSA-N 1 2 337.811 0.269 20 30 ECEDLO O=C(c1cccc(C#CCO)c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000900868116 586673814 /nfs/dbraw/zinc/67/38/14/586673814.db2.gz XKOYPFRQRHUOPM-SFHVURJKSA-N 1 2 328.412 0.967 20 30 ECEDLO CCn1ncc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000902226602 586725831 /nfs/dbraw/zinc/72/58/31/586725831.db2.gz QMBDASKGFIXTNU-UHFFFAOYSA-N 1 2 344.419 0.967 20 30 ECEDLO CCS(=O)(=O)NC1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000903004317 586765205 /nfs/dbraw/zinc/76/52/05/586765205.db2.gz GZGYNPIREMRZSL-GFCCVEGCSA-N 1 2 330.454 0.151 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1ccc(S(C)(=O)=O)cc1 ZINC000905494018 586897693 /nfs/dbraw/zinc/89/76/93/586897693.db2.gz AEJZBZJGHJFXLT-INIZCTEOSA-N 1 2 337.445 0.983 20 30 ECEDLO CN(CCCC(=O)N[C@@](C)(C#N)C[NH+](C)C)C(=O)c1ccncc1 ZINC000905494486 586898324 /nfs/dbraw/zinc/89/83/24/586898324.db2.gz CWNQROXQDSYWEE-KRWDZBQOSA-N 1 2 331.420 0.894 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccn(CC(F)(F)F)c1=O ZINC000905496829 586898422 /nfs/dbraw/zinc/89/84/22/586898422.db2.gz UTGHAWRZXPWWQM-CYBMUJFWSA-N 1 2 330.310 0.984 20 30 ECEDLO COCC(COC)[NH+]1CCN(C(=O)COc2cccc(C#N)c2)CC1 ZINC000839802349 586911033 /nfs/dbraw/zinc/91/10/33/586911033.db2.gz QBHIKKSREJHLTP-UHFFFAOYSA-N 1 2 347.415 0.743 20 30 ECEDLO CN(C)C(=O)C[NH+]1CCN(C(=O)/C=C\c2ccccc2C#N)CC1 ZINC000800372918 586965009 /nfs/dbraw/zinc/96/50/09/586965009.db2.gz QYIQFMQHBWVCTG-FPLPWBNLSA-N 1 2 326.400 0.804 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000906929664 586995080 /nfs/dbraw/zinc/99/50/80/586995080.db2.gz QVQJAEQNBCGTQT-IOTAOYMUSA-N 1 2 335.448 0.858 20 30 ECEDLO C[C@H](C#N)OCC[N@@H+]1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000801935143 587006331 /nfs/dbraw/zinc/00/63/31/587006331.db2.gz WXSABFBAOIVTLT-ZIAGYGMSSA-N 1 2 343.383 0.912 20 30 ECEDLO C[C@H](C#N)OCC[N@H+]1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000801935143 587006332 /nfs/dbraw/zinc/00/63/32/587006332.db2.gz WXSABFBAOIVTLT-ZIAGYGMSSA-N 1 2 343.383 0.912 20 30 ECEDLO C[C@@H](C#N)OCC[NH+]1CCN(c2ccccc2S(N)(=O)=O)CC1 ZINC000801945733 587006447 /nfs/dbraw/zinc/00/64/47/587006447.db2.gz CMMBZDQHMLDSGU-ZDUSSCGKSA-N 1 2 338.433 0.385 20 30 ECEDLO C=CCN1CCN(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)C1=O ZINC000840061292 587095629 /nfs/dbraw/zinc/09/56/29/587095629.db2.gz WRYFUGWCBNEEPB-CQSZACIVSA-N 1 2 342.465 0.367 20 30 ECEDLO C=CCN1CCN(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)C1=O ZINC000840061292 587095630 /nfs/dbraw/zinc/09/56/30/587095630.db2.gz WRYFUGWCBNEEPB-CQSZACIVSA-N 1 2 342.465 0.367 20 30 ECEDLO C#Cc1cncc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000806825199 587108762 /nfs/dbraw/zinc/10/87/62/587108762.db2.gz DRUINHBDYBUKQW-UHFFFAOYSA-N 1 2 325.372 0.844 20 30 ECEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1cccc(OCC#N)c1 ZINC000807283028 587123938 /nfs/dbraw/zinc/12/39/38/587123938.db2.gz UQPQGKZYAQJDKE-OAHLLOKOSA-N 1 2 342.355 0.686 20 30 ECEDLO Fc1cc(C=NNC(=S)NCC[NH+]2CCOCC2)c(F)cn1 ZINC000807947073 587140446 /nfs/dbraw/zinc/14/04/46/587140446.db2.gz GVJZFBHYCOWEPW-UHFFFAOYSA-N 1 2 329.376 0.490 20 30 ECEDLO CN(C)c1c(C=[NH+]Nc2cccc(C#N)c2)c(=O)n(C)c(=O)n1C ZINC000807961043 587140735 /nfs/dbraw/zinc/14/07/35/587140735.db2.gz ZQZIBWAKDYRAGJ-UHFFFAOYSA-N 1 2 326.360 0.468 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)C2(CC(=O)OCC)CC2)CC1 ZINC000809392393 587176839 /nfs/dbraw/zinc/17/68/39/587176839.db2.gz REXNAJKGSOXCLN-UHFFFAOYSA-N 1 2 328.434 0.443 20 30 ECEDLO C#Cc1ccc(C[N@H+](CC)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000809539110 587179411 /nfs/dbraw/zinc/17/94/11/587179411.db2.gz YSDKSHLYSXKCOD-MRXNPFEDSA-N 1 2 334.441 0.793 20 30 ECEDLO C#Cc1ccc(C[N@@H+](CC)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000809539110 587179412 /nfs/dbraw/zinc/17/94/12/587179412.db2.gz YSDKSHLYSXKCOD-MRXNPFEDSA-N 1 2 334.441 0.793 20 30 ECEDLO CC#CC[N@@H+](C)CC(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O ZINC000815277583 587287104 /nfs/dbraw/zinc/28/71/04/587287104.db2.gz FQJJVICIQDSBQF-GOSISDBHSA-N 1 2 342.399 0.830 20 30 ECEDLO CC#CC[N@H+](C)CC(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O ZINC000815277583 587287105 /nfs/dbraw/zinc/28/71/05/587287105.db2.gz FQJJVICIQDSBQF-GOSISDBHSA-N 1 2 342.399 0.830 20 30 ECEDLO C#C[C@@H](NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000820600274 587543661 /nfs/dbraw/zinc/54/36/61/587543661.db2.gz VNVIPPRGGYJJHY-IAGOWNOFSA-N 1 2 331.416 0.695 20 30 ECEDLO CON=C(C(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1csc(N)n1 ZINC000821324671 587585671 /nfs/dbraw/zinc/58/56/71/587585671.db2.gz VKKSBVKNLIJZPG-VIFPVBQESA-N 1 2 334.405 0.825 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000822533560 587664746 /nfs/dbraw/zinc/66/47/46/587664746.db2.gz KFQAHBDVNCULIH-CQSZACIVSA-N 1 2 329.400 0.468 20 30 ECEDLO C#CCN(CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000825160981 587920407 /nfs/dbraw/zinc/92/04/07/587920407.db2.gz XYXSVXLKZXAYQX-AWEZNQCLSA-N 1 2 339.436 0.694 20 30 ECEDLO C#CCN(CC(=O)NCC[N@H+]1CCO[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000825160981 587920408 /nfs/dbraw/zinc/92/04/08/587920408.db2.gz XYXSVXLKZXAYQX-AWEZNQCLSA-N 1 2 339.436 0.694 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cc2csc(N3CCOCC3)n2)CC1 ZINC000825285582 587929134 /nfs/dbraw/zinc/92/91/34/587929134.db2.gz BFTOULHYWNYNRD-UHFFFAOYSA-N 1 2 334.445 0.300 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](c2ccccc2)[C@H](C)C(=O)[O-])CC1 ZINC000825619780 587953596 /nfs/dbraw/zinc/95/35/96/587953596.db2.gz OTHXWFVCKWBDNC-MAUKXSAKSA-N 1 2 343.427 0.815 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Cl)nc2N)CC1 ZINC000826550656 588069592 /nfs/dbraw/zinc/06/95/92/588069592.db2.gz VHPFEAGMPZEGJS-UHFFFAOYSA-N 1 2 349.822 0.215 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Cl)nc2N)CC1 ZINC000826550656 588069594 /nfs/dbraw/zinc/06/95/94/588069594.db2.gz VHPFEAGMPZEGJS-UHFFFAOYSA-N 1 2 349.822 0.215 20 30 ECEDLO C#CC1CC[NH+]([C@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000830305307 588367847 /nfs/dbraw/zinc/36/78/47/588367847.db2.gz LABZFKGAYPOVPI-HIFRSBDPSA-N 1 2 326.462 0.756 20 30 ECEDLO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)NCc1[nH+]ccn1C ZINC000846731697 589221421 /nfs/dbraw/zinc/22/14/21/589221421.db2.gz VLVOCNIHGXEMBO-AWEZNQCLSA-N 1 2 341.371 0.100 20 30 ECEDLO COc1ccc(OC)c([C@@H](O)C[NH+]2CCN(C(=O)CC#N)CC2)c1 ZINC000846963031 589230839 /nfs/dbraw/zinc/23/08/39/589230839.db2.gz UVQUSOAOHVWCLS-HNNXBMFYSA-N 1 2 333.388 0.795 20 30 ECEDLO C#C[C@@H]1CCCN(C(=O)N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1 ZINC000847350821 589243614 /nfs/dbraw/zinc/24/36/14/589243614.db2.gz UYTATJUCHBHGJD-CABCVRRESA-N 1 2 343.431 0.966 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)C[C@H](OC)[C@H]2CCOC2)CC1 ZINC000849371834 589327370 /nfs/dbraw/zinc/32/73/70/589327370.db2.gz ALYYFVSYJCMOBM-GJZGRUSLSA-N 1 2 330.450 0.009 20 30 ECEDLO C#C[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)C1CCOCC1 ZINC000851828568 589427368 /nfs/dbraw/zinc/42/73/68/589427368.db2.gz YWNCEKQASZBYIT-OAHLLOKOSA-N 1 2 330.450 0.057 20 30 ECEDLO C#CCN1CCN(C(=O)C[NH2+][C@H](C)c2nnc3n2CCCCC3)CC1 ZINC000851929928 589432932 /nfs/dbraw/zinc/43/29/32/589432932.db2.gz VCTZIZQEDKAIBT-OAHLLOKOSA-N 1 2 344.463 0.433 20 30 ECEDLO C#CCn1ccc(C[N@@H+](CC)[C@H]2CCN(CCC(=O)OC)C2=O)n1 ZINC000851996305 589436799 /nfs/dbraw/zinc/43/67/99/589436799.db2.gz MMVONAHFJPPAOJ-HNNXBMFYSA-N 1 2 332.404 0.502 20 30 ECEDLO C#CCn1ccc(C[N@H+](CC)[C@H]2CCN(CCC(=O)OC)C2=O)n1 ZINC000851996305 589436800 /nfs/dbraw/zinc/43/68/00/589436800.db2.gz MMVONAHFJPPAOJ-HNNXBMFYSA-N 1 2 332.404 0.502 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1cn(C2CCC2)nn1 ZINC000853263411 589539304 /nfs/dbraw/zinc/53/93/04/589539304.db2.gz KEHAZPIHRJKIHG-UHFFFAOYSA-N 1 2 337.453 0.133 20 30 ECEDLO C[C@H]1C[N@H+](CCNc2ccc(S(N)(=O)=O)cc2C#N)[C@@H](C)CO1 ZINC000853798851 589559654 /nfs/dbraw/zinc/55/96/54/589559654.db2.gz JAVLOUUGELRFMH-RYUDHWBXSA-N 1 2 338.433 0.727 20 30 ECEDLO C[C@H]1C[N@@H+](CCNc2ccc(S(N)(=O)=O)cc2C#N)[C@@H](C)CO1 ZINC000853798851 589559656 /nfs/dbraw/zinc/55/96/56/589559656.db2.gz JAVLOUUGELRFMH-RYUDHWBXSA-N 1 2 338.433 0.727 20 30 ECEDLO C#C[C@@H](CC)NC(=O)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000854079792 589570646 /nfs/dbraw/zinc/57/06/46/589570646.db2.gz HGTZUGWZQLCDRF-PKOBYXMFSA-N 1 2 345.443 0.961 20 30 ECEDLO C#C[C@@H](CC)NC(=O)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000854079792 589570648 /nfs/dbraw/zinc/57/06/48/589570648.db2.gz HGTZUGWZQLCDRF-PKOBYXMFSA-N 1 2 345.443 0.961 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nc(CN2CCCCC2)no1 ZINC000854339497 589580128 /nfs/dbraw/zinc/58/01/28/589580128.db2.gz BVDGBHQYHSMLDL-AWEZNQCLSA-N 1 2 331.420 0.769 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nc(CN2CCCCC2)no1 ZINC000854339497 589580130 /nfs/dbraw/zinc/58/01/30/589580130.db2.gz BVDGBHQYHSMLDL-AWEZNQCLSA-N 1 2 331.420 0.769 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[C@H](NC(N)=O)c2cccc(C)c2)CC1 ZINC000112920178 589616913 /nfs/dbraw/zinc/61/69/13/589616913.db2.gz XGJYZFFXYKCBQD-INIZCTEOSA-N 1 2 328.416 0.872 20 30 ECEDLO C=CCOCCCNC(=O)C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000867877232 589857745 /nfs/dbraw/zinc/85/77/45/589857745.db2.gz CDCBBSPTXNUQOW-UHFFFAOYSA-N 1 2 332.404 0.569 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000862191514 589929296 /nfs/dbraw/zinc/92/92/96/589929296.db2.gz CCLOOVHNFBUTJW-CYBMUJFWSA-N 1 2 332.404 0.939 20 30 ECEDLO C#CC[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000862565402 589943410 /nfs/dbraw/zinc/94/34/10/589943410.db2.gz RWKDIMFRTRGHTI-HZPDHXFCSA-N 1 2 333.432 0.039 20 30 ECEDLO C#CC[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000862565405 589943482 /nfs/dbraw/zinc/94/34/82/589943482.db2.gz RWKDIMFRTRGHTI-JKSUJKDBSA-N 1 2 333.432 0.039 20 30 ECEDLO COc1cccc([C@@H]2CN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC[NH2+]2)c1 ZINC000870153481 590003684 /nfs/dbraw/zinc/00/36/84/590003684.db2.gz QOKKVBPCGHDORF-DOMZBBRYSA-N 1 2 340.387 0.892 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N ZINC000870215633 590007580 /nfs/dbraw/zinc/00/75/80/590007580.db2.gz MIDAGGUTWDRQQN-ZDUSSCGKSA-N 1 2 328.376 0.154 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N ZINC000870215633 590007582 /nfs/dbraw/zinc/00/75/82/590007582.db2.gz MIDAGGUTWDRQQN-ZDUSSCGKSA-N 1 2 328.376 0.154 20 30 ECEDLO C#CC[NH+]1CCN(CN2CC3(CC2=O)CCC2(CC3)OCCO2)CC1 ZINC000872557812 590128232 /nfs/dbraw/zinc/12/82/32/590128232.db2.gz PYPKYAJSXIQYMC-UHFFFAOYSA-N 1 2 347.459 0.731 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(c3ccccn3)CC2)CC1 ZINC000865177901 590130098 /nfs/dbraw/zinc/13/00/98/590130098.db2.gz MIPPOKNRLKGGSL-UHFFFAOYSA-N 1 2 340.427 0.397 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2(c3ccccn3)CC2)CC1 ZINC000865177901 590130101 /nfs/dbraw/zinc/13/01/01/590130101.db2.gz MIPPOKNRLKGGSL-UHFFFAOYSA-N 1 2 340.427 0.397 20 30 ECEDLO N#Cc1ccc(COC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)o1 ZINC000873384592 590189212 /nfs/dbraw/zinc/18/92/12/590189212.db2.gz NPBJJCRGQWIKRX-ZDUSSCGKSA-N 1 2 347.371 0.375 20 30 ECEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000874349418 590233478 /nfs/dbraw/zinc/23/34/78/590233478.db2.gz VTLANOMZFKVQEC-OAHLLOKOSA-N 1 2 348.378 0.863 20 30 ECEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000874349418 590233480 /nfs/dbraw/zinc/23/34/80/590233480.db2.gz VTLANOMZFKVQEC-OAHLLOKOSA-N 1 2 348.378 0.863 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000875108783 590271702 /nfs/dbraw/zinc/27/17/02/590271702.db2.gz MMLIKVLOOFVBMB-CYBMUJFWSA-N 1 2 328.372 0.413 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000875245344 590286603 /nfs/dbraw/zinc/28/66/03/590286603.db2.gz MBQPGRQSHFRILH-AWEZNQCLSA-N 1 2 328.372 0.495 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CCN(C)c2[nH+]cccc2C1)[C@@H]1CCCO1 ZINC000875323057 590292796 /nfs/dbraw/zinc/29/27/96/590292796.db2.gz FPCNFAFGZGKEKE-GJZGRUSLSA-N 1 2 342.399 0.157 20 30 ECEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879533188 590320248 /nfs/dbraw/zinc/32/02/48/590320248.db2.gz BWKPVWNEUJDQCL-HZSPNIEDSA-N 1 2 327.340 0.319 20 30 ECEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879533188 590320251 /nfs/dbraw/zinc/32/02/51/590320251.db2.gz BWKPVWNEUJDQCL-HZSPNIEDSA-N 1 2 327.340 0.319 20 30 ECEDLO N#Cc1cc(F)ccc1N1CC[NH+](CC(=O)N2CCNC2=O)CC1 ZINC000879587995 590326495 /nfs/dbraw/zinc/32/64/95/590326495.db2.gz HZWVKNGEHKKVQN-UHFFFAOYSA-N 1 2 331.351 0.371 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 ZINC000879920378 590350303 /nfs/dbraw/zinc/35/03/03/590350303.db2.gz YSDSTZSYNZYWDC-ILXRZTDVSA-N 1 2 339.436 0.847 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 ZINC000879920378 590350305 /nfs/dbraw/zinc/35/03/05/590350305.db2.gz YSDSTZSYNZYWDC-ILXRZTDVSA-N 1 2 339.436 0.847 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 ZINC000879919533 590350380 /nfs/dbraw/zinc/35/03/80/590350380.db2.gz DXICFCWTIPRQDO-KBPBESRZSA-N 1 2 325.409 0.601 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 ZINC000879919533 590350383 /nfs/dbraw/zinc/35/03/83/590350383.db2.gz DXICFCWTIPRQDO-KBPBESRZSA-N 1 2 325.409 0.601 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCc2c(C(=O)OC)ccc(OC)c2C1 ZINC000880036060 590362592 /nfs/dbraw/zinc/36/25/92/590362592.db2.gz PRVJGDIAJPCVSP-GFCCVEGCSA-N 1 2 330.384 0.978 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCc2c(C(=O)OC)ccc(OC)c2C1 ZINC000880036060 590362594 /nfs/dbraw/zinc/36/25/94/590362594.db2.gz PRVJGDIAJPCVSP-GFCCVEGCSA-N 1 2 330.384 0.978 20 30 ECEDLO CC(=O)N1C[C@@H]2C[N@@H+](CCS(=O)(=O)c3ccc(C#N)cn3)C[C@@H]2C1 ZINC000880312382 590383467 /nfs/dbraw/zinc/38/34/67/590383467.db2.gz LRUYNOJWBGWEKW-GASCZTMLSA-N 1 2 348.428 0.137 20 30 ECEDLO CC(=O)N1C[C@@H]2C[N@H+](CCS(=O)(=O)c3ccc(C#N)cn3)C[C@@H]2C1 ZINC000880312382 590383469 /nfs/dbraw/zinc/38/34/69/590383469.db2.gz LRUYNOJWBGWEKW-GASCZTMLSA-N 1 2 348.428 0.137 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]3CCNC(=O)[C@@H]32)cc1 ZINC000880529116 590400342 /nfs/dbraw/zinc/40/03/42/590400342.db2.gz JHYOMXPEHYMMFJ-DOTOQJQBSA-N 1 2 326.400 0.775 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H]3CCNC(=O)[C@@H]32)cc1 ZINC000880529116 590400343 /nfs/dbraw/zinc/40/03/43/590400343.db2.gz JHYOMXPEHYMMFJ-DOTOQJQBSA-N 1 2 326.400 0.775 20 30 ECEDLO COC(=O)[C@]1(O)CC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000880559703 590403034 /nfs/dbraw/zinc/40/30/34/590403034.db2.gz QFWIIVPACXMVJE-KRWDZBQOSA-N 1 2 331.372 0.543 20 30 ECEDLO COC(=O)[C@]1(O)CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000880559703 590403036 /nfs/dbraw/zinc/40/30/36/590403036.db2.gz QFWIIVPACXMVJE-KRWDZBQOSA-N 1 2 331.372 0.543 20 30 ECEDLO C#CCN1CCN(S(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)CC1 ZINC000882024064 590508260 /nfs/dbraw/zinc/50/82/60/590508260.db2.gz OOWPQSHACQJUJD-UHFFFAOYSA-N 1 2 333.457 0.614 20 30 ECEDLO C#CCN1CCN(S(=O)(=O)c2cccc3c2CC[N@H+](C)C3)CC1 ZINC000882024064 590508263 /nfs/dbraw/zinc/50/82/63/590508263.db2.gz OOWPQSHACQJUJD-UHFFFAOYSA-N 1 2 333.457 0.614 20 30 ECEDLO C#CC[N@H+](C[C@H]1CC2(CO1)CCOCC2)[C@H]1CCS(=O)(=O)C1 ZINC000878237708 590508550 /nfs/dbraw/zinc/50/85/50/590508550.db2.gz ORUBDBZGNFIBMY-LSDHHAIUSA-N 1 2 327.446 0.694 20 30 ECEDLO C#CC[N@@H+](C[C@H]1CC2(CO1)CCOCC2)[C@H]1CCS(=O)(=O)C1 ZINC000878237708 590508551 /nfs/dbraw/zinc/50/85/51/590508551.db2.gz ORUBDBZGNFIBMY-LSDHHAIUSA-N 1 2 327.446 0.694 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC1 ZINC000882132933 590519527 /nfs/dbraw/zinc/51/95/27/590519527.db2.gz XGSXDFSOBCPIOD-UHFFFAOYSA-N 1 2 342.359 0.425 20 30 ECEDLO N#Cc1ccc([C@H](O)C[NH+]2CCN(CC(F)(F)CO)CC2)cc1 ZINC000878831184 590545713 /nfs/dbraw/zinc/54/57/13/590545713.db2.gz BFBVZJFVSURCCY-OAHLLOKOSA-N 1 2 325.359 0.837 20 30 ECEDLO C#CCOCCC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000130738914 590601777 /nfs/dbraw/zinc/60/17/77/590601777.db2.gz ARENCADKQQOVKD-OAHLLOKOSA-N 1 2 335.448 0.618 20 30 ECEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000131102852 590607308 /nfs/dbraw/zinc/60/73/08/590607308.db2.gz RDBDIZFWIOHNMU-AWEZNQCLSA-N 1 2 326.360 0.269 20 30 ECEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000131102852 590607310 /nfs/dbraw/zinc/60/73/10/590607310.db2.gz RDBDIZFWIOHNMU-AWEZNQCLSA-N 1 2 326.360 0.269 20 30 ECEDLO C#CC1(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCCC1 ZINC000883371962 590614631 /nfs/dbraw/zinc/61/46/31/590614631.db2.gz HALMRMBCIDAJJJ-UHFFFAOYSA-N 1 2 341.477 0.741 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)C1 ZINC000885513756 590729664 /nfs/dbraw/zinc/72/96/64/590729664.db2.gz FEKPVFBHTRHFPU-CYBMUJFWSA-N 1 2 335.429 0.470 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)C1 ZINC000885513756 590729667 /nfs/dbraw/zinc/72/96/67/590729667.db2.gz FEKPVFBHTRHFPU-CYBMUJFWSA-N 1 2 335.429 0.470 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C1 ZINC000885511875 590730026 /nfs/dbraw/zinc/73/00/26/590730026.db2.gz NMQKXNOANVQDOB-AWEZNQCLSA-N 1 2 347.440 0.348 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)C1 ZINC000885511875 590730029 /nfs/dbraw/zinc/73/00/29/590730029.db2.gz NMQKXNOANVQDOB-AWEZNQCLSA-N 1 2 347.440 0.348 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1nc2cc(F)ccc2n1C ZINC000884219618 590779638 /nfs/dbraw/zinc/77/96/38/590779638.db2.gz UWFSIGCUOPSFQH-NSHDSACASA-N 1 2 334.351 0.775 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](CCSC(F)(F)F)CC1 ZINC000886092508 590794939 /nfs/dbraw/zinc/79/49/39/590794939.db2.gz YUGALYQKNFSJKQ-UHFFFAOYSA-N 1 2 331.385 0.325 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000884349655 590812370 /nfs/dbraw/zinc/81/23/70/590812370.db2.gz BGHIJUMPZGFVRY-UONOGXRCSA-N 1 2 327.450 0.208 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000884349655 590812371 /nfs/dbraw/zinc/81/23/71/590812371.db2.gz BGHIJUMPZGFVRY-UONOGXRCSA-N 1 2 327.450 0.208 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C1 ZINC000884461633 590833842 /nfs/dbraw/zinc/83/38/42/590833842.db2.gz KDPWWNYCUDDTEE-RKFFSXRUSA-N 1 2 339.383 0.694 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C1 ZINC000884461633 590833844 /nfs/dbraw/zinc/83/38/44/590833844.db2.gz KDPWWNYCUDDTEE-RKFFSXRUSA-N 1 2 339.383 0.694 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H](CC)[C@@](F)(C(=O)OCC)C1 ZINC000886872146 590897049 /nfs/dbraw/zinc/89/70/49/590897049.db2.gz KLZQQBWCHSGNKA-BFQNTYOBSA-N 1 2 343.399 1.000 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@H](CC)[C@@](F)(C(=O)OCC)C1 ZINC000886872146 590897051 /nfs/dbraw/zinc/89/70/51/590897051.db2.gz KLZQQBWCHSGNKA-BFQNTYOBSA-N 1 2 343.399 1.000 20 30 ECEDLO C#Cc1cncc(C(=O)NC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)c1 ZINC000948009349 611382230 /nfs/dbraw/zinc/38/22/30/611382230.db2.gz KCNGRGDVGMFYES-UHFFFAOYSA-N 1 2 337.383 0.750 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1cnn(C)n1 ZINC000947170655 611441611 /nfs/dbraw/zinc/44/16/11/611441611.db2.gz JQBHSKKKIGXSOW-WCQYABFASA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1Cc1cnn(C)n1 ZINC000947170655 611441612 /nfs/dbraw/zinc/44/16/12/611441612.db2.gz JQBHSKKKIGXSOW-WCQYABFASA-N 1 2 327.392 0.798 20 30 ECEDLO COc1cncc(N2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)c1 ZINC000931208181 611519319 /nfs/dbraw/zinc/51/93/19/611519319.db2.gz BMLRQNSTGUSKDE-AWEZNQCLSA-N 1 2 331.420 0.973 20 30 ECEDLO N#C[C@@]1(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCSC1 ZINC000931298462 611529566 /nfs/dbraw/zinc/52/95/66/611529566.db2.gz RFADDGQVPKLJFU-IPYPFGDCSA-N 1 2 325.434 0.382 20 30 ECEDLO COC1(OC)CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@@H]1O ZINC000931642295 611560607 /nfs/dbraw/zinc/56/06/07/611560607.db2.gz PHMPYCLFWSLHCJ-WFASDCNBSA-N 1 2 333.388 0.941 20 30 ECEDLO COC1(OC)CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@@H]1O ZINC000931642295 611560608 /nfs/dbraw/zinc/56/06/08/611560608.db2.gz PHMPYCLFWSLHCJ-WFASDCNBSA-N 1 2 333.388 0.941 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H](CC#N)C(F)(F)F ZINC000932914809 608682736 /nfs/dbraw/zinc/68/27/36/608682736.db2.gz XVQUQQQZOBJLQI-MNOVXSKESA-N 1 2 338.330 0.165 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC2CCN(C(=O)Cn3cc[nH+]c3)CC2)c1 ZINC000947274850 608707420 /nfs/dbraw/zinc/70/74/20/608707420.db2.gz BWTXYSZKQHJTRU-UHFFFAOYSA-N 1 2 326.360 0.504 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCN2C(=O)Cc2[nH]c[nH+]c2C)nn1 ZINC000950052184 608960205 /nfs/dbraw/zinc/96/02/05/608960205.db2.gz DERRBVAFLLERKH-LBPRGKRZSA-N 1 2 343.391 0.069 20 30 ECEDLO CN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000937198177 609035229 /nfs/dbraw/zinc/03/52/29/609035229.db2.gz RNYATIJZAABRHF-CYBMUJFWSA-N 1 2 326.360 0.525 20 30 ECEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000907790485 609622692 /nfs/dbraw/zinc/62/26/92/609622692.db2.gz WPCBGQQFXSYQEH-UHFFFAOYSA-N 1 2 336.461 0.735 20 30 ECEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000907790485 609622694 /nfs/dbraw/zinc/62/26/94/609622694.db2.gz WPCBGQQFXSYQEH-UHFFFAOYSA-N 1 2 336.461 0.735 20 30 ECEDLO Cc1cc(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)nn1-c1cccc(C#N)c1 ZINC000913546306 609686865 /nfs/dbraw/zinc/68/68/65/609686865.db2.gz MOXWDOKTHXNINN-INIZCTEOSA-N 1 2 339.399 0.801 20 30 ECEDLO Cc1cc(C(=O)N2CC[N@H+](C)[C@H](CO)C2)nn1-c1cccc(C#N)c1 ZINC000913546306 609686868 /nfs/dbraw/zinc/68/68/68/609686868.db2.gz MOXWDOKTHXNINN-INIZCTEOSA-N 1 2 339.399 0.801 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000938529246 609844244 /nfs/dbraw/zinc/84/42/44/609844244.db2.gz CEGQNYFTHOPVGQ-MJBXVCDLSA-N 1 2 332.404 0.651 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1 ZINC000938705540 609953748 /nfs/dbraw/zinc/95/37/48/609953748.db2.gz SDGROJNGLKOKFU-ARFHVFGLSA-N 1 2 349.394 0.920 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1 ZINC000938705540 609953749 /nfs/dbraw/zinc/95/37/49/609953749.db2.gz SDGROJNGLKOKFU-ARFHVFGLSA-N 1 2 349.394 0.920 20 30 ECEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000917220291 609964309 /nfs/dbraw/zinc/96/43/09/609964309.db2.gz BNLTVIGDODWQJB-HRCADAONSA-N 1 2 336.484 0.250 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000938778388 609992827 /nfs/dbraw/zinc/99/28/27/609992827.db2.gz KUBFHLJBLIPQHK-CYBMUJFWSA-N 1 2 326.360 0.456 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCc4cn[nH]c43)CC2)C1 ZINC000941411323 610302368 /nfs/dbraw/zinc/30/23/68/610302368.db2.gz ZEDKIQBFKKMHGR-QGZVFWFLSA-N 1 2 341.459 0.681 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCO[C@H]3C(C)C)CC2)C1 ZINC000941412279 610302500 /nfs/dbraw/zinc/30/25/00/610302500.db2.gz BQOBJLOYCZODAN-ROUUACIJSA-N 1 2 333.476 0.899 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000941444876 610309626 /nfs/dbraw/zinc/30/96/26/610309626.db2.gz DNAMDTVYMWTRPS-KBPBESRZSA-N 1 2 329.404 0.666 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3nn4c(c3C)OCCC4)CC2)C1 ZINC000941432514 610312829 /nfs/dbraw/zinc/31/28/29/610312829.db2.gz CDPVGFNYJWTADB-UHFFFAOYSA-N 1 2 343.431 0.049 20 30 ECEDLO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cn(C)c(C)cc3=O)CC2)C1 ZINC000941447031 610322208 /nfs/dbraw/zinc/32/22/08/610322208.db2.gz LZBJHJOAANUUMO-UHFFFAOYSA-N 1 2 344.459 0.712 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3Cc4ccccc4O3)CC2)C1 ZINC000941480220 610335137 /nfs/dbraw/zinc/33/51/37/610335137.db2.gz IJQOFBZWLIMELU-GOSISDBHSA-N 1 2 325.412 0.452 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3onc4c3CCCC4)CC2)C1 ZINC000941485184 610337695 /nfs/dbraw/zinc/33/76/95/610337695.db2.gz MUJLLBQRHVEMPX-UHFFFAOYSA-N 1 2 328.416 0.629 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCc3nc(C(C)C)no3)CC2)C1 ZINC000941505417 610347777 /nfs/dbraw/zinc/34/77/77/610347777.db2.gz UXEHVTYVUKPUFZ-UHFFFAOYSA-N 1 2 345.447 0.587 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000940745449 610353641 /nfs/dbraw/zinc/35/36/41/610353641.db2.gz ZSMHOVDYDCZOEL-MCIONIFRSA-N 1 2 332.404 0.651 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3c[nH]c4cnccc34)CC2)C1 ZINC000941529551 610361566 /nfs/dbraw/zinc/36/15/66/610361566.db2.gz RMOHGIOQJROCRK-UHFFFAOYSA-N 1 2 337.427 0.567 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c[nH]nc3[C@H]3CCCO3)CC2)C1 ZINC000941529522 610361724 /nfs/dbraw/zinc/36/17/24/610361724.db2.gz RAKWZFPNXBGDDA-MRXNPFEDSA-N 1 2 343.431 0.336 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cnon2)CC1(C)C ZINC000940807014 610372544 /nfs/dbraw/zinc/37/25/44/610372544.db2.gz FUEMIVKKILZFRC-HOTGVXAUSA-N 1 2 345.447 0.884 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cnon2)CC1(C)C ZINC000940807014 610372547 /nfs/dbraw/zinc/37/25/47/610372547.db2.gz FUEMIVKKILZFRC-HOTGVXAUSA-N 1 2 345.447 0.884 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000942280491 610380787 /nfs/dbraw/zinc/38/07/87/610380787.db2.gz SIMUPNKJVHRILG-WWGRRREGSA-N 1 2 332.404 0.651 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3coc(COC)n3)CC2)C1 ZINC000941620935 610425886 /nfs/dbraw/zinc/42/58/86/610425886.db2.gz PJBBEUOWSHQDCL-UHFFFAOYSA-N 1 2 332.404 0.286 20 30 ECEDLO C[C@H]1C[N@H+](Cc2cnn(C)n2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941930158 610567477 /nfs/dbraw/zinc/56/74/77/610567477.db2.gz QYYUGRPWJSDUIN-SMDDNHRTSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@H]1C[N@@H+](Cc2cnn(C)n2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941930158 610567479 /nfs/dbraw/zinc/56/74/79/610567479.db2.gz QYYUGRPWJSDUIN-SMDDNHRTSA-N 1 2 327.392 0.655 20 30 ECEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000942745325 610596365 /nfs/dbraw/zinc/59/63/65/610596365.db2.gz VCWVITBHLIXHRU-CYBMUJFWSA-N 1 2 340.387 0.915 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCN(C2C[NH+](CCO[C@H]3CC3(F)F)C2)CC1 ZINC000941348803 610684983 /nfs/dbraw/zinc/68/49/83/610684983.db2.gz QODQGVBQZGRMAH-OCCSQVGLSA-N 1 2 342.390 0.399 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c4c(nn3C)CCCC4)CC2)C1 ZINC000941424361 610724509 /nfs/dbraw/zinc/72/45/09/610724509.db2.gz LQNFNHIHKSRKKZ-UHFFFAOYSA-N 1 2 341.459 0.374 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(C)no3)C[C@H]2C)nn1 ZINC000943482616 610869355 /nfs/dbraw/zinc/86/93/55/610869355.db2.gz PRIVUGNYVQOPDC-DGCLKSJQSA-N 1 2 345.407 0.796 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3nc(C)no3)C[C@H]2C)nn1 ZINC000943482616 610869357 /nfs/dbraw/zinc/86/93/57/610869357.db2.gz PRIVUGNYVQOPDC-DGCLKSJQSA-N 1 2 345.407 0.796 20 30 ECEDLO O=C(C#CC1CC1)N1CC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC000945072858 610901298 /nfs/dbraw/zinc/90/12/98/610901298.db2.gz LLFFRTRXNYOCPS-UHFFFAOYSA-N 1 2 326.400 0.817 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)[nH]1 ZINC000943681207 610940785 /nfs/dbraw/zinc/94/07/85/610940785.db2.gz WEMNKCSGJSMWOP-JOCQHMNTSA-N 1 2 340.387 0.940 20 30 ECEDLO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H](C)C1 ZINC000943688992 610947545 /nfs/dbraw/zinc/94/75/45/610947545.db2.gz HFRFVRTVSOYLMD-GXTWGEPZSA-N 1 2 344.419 0.474 20 30 ECEDLO C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H](C)C1 ZINC000943688992 610947547 /nfs/dbraw/zinc/94/75/47/610947547.db2.gz HFRFVRTVSOYLMD-GXTWGEPZSA-N 1 2 344.419 0.474 20 30 ECEDLO C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945278576 610994573 /nfs/dbraw/zinc/99/45/73/610994573.db2.gz RPWQWZJUDRSEHR-JSGCOSHPSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000945280118 610995260 /nfs/dbraw/zinc/99/52/60/610995260.db2.gz WOSGSRWMEDXOTM-YPMHNXCESA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000945540004 611065103 /nfs/dbraw/zinc/06/51/03/611065103.db2.gz IWSKBJVATNQRQB-BXUZGUMPSA-N 1 2 340.387 0.819 20 30 ECEDLO O=C(C#CC1CC1)N1CCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000944010458 611083203 /nfs/dbraw/zinc/08/32/03/611083203.db2.gz LZTWNLFCCPUSBC-DOTOQJQBSA-N 1 2 340.427 0.966 20 30 ECEDLO N#C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC000921545016 611247585 /nfs/dbraw/zinc/24/75/85/611247585.db2.gz UAXINKJIJGDUFX-CVEARBPZSA-N 1 2 348.447 0.366 20 30 ECEDLO C[C@@]1(C#N)CN(CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000933598208 611735274 /nfs/dbraw/zinc/73/52/74/611735274.db2.gz HXVFILMNYOTRPU-GOSISDBHSA-N 1 2 343.431 0.735 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cnn(C)n3)[C@H](C)C2)cn1 ZINC000947949576 611753105 /nfs/dbraw/zinc/75/31/05/611753105.db2.gz XQJPYVBVWBADDQ-CJNGLKHVSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(C)n3)[C@H](C)C2)cn1 ZINC000947949576 611753107 /nfs/dbraw/zinc/75/31/07/611753107.db2.gz XQJPYVBVWBADDQ-CJNGLKHVSA-N 1 2 338.415 0.974 20 30 ECEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)CN3CCCNC3=O)CC2)c1 ZINC000949081231 611845465 /nfs/dbraw/zinc/84/54/65/611845465.db2.gz NOTLJNKEXNQSNU-UHFFFAOYSA-N 1 2 341.415 0.618 20 30 ECEDLO N#CCN1CCC2(CC1)CN(C(=O)[C@H]1CCn3cc[nH+]c3C1)CCO2 ZINC000949127131 611864048 /nfs/dbraw/zinc/86/40/48/611864048.db2.gz UPUXEQFFEHFQBP-HNNXBMFYSA-N 1 2 343.431 0.662 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H]1CCN1C(=O)C#CC1CC1)C2 ZINC000950748005 611885448 /nfs/dbraw/zinc/88/54/48/611885448.db2.gz GWTCGKCJGCAFJW-LSDHHAIUSA-N 1 2 340.427 0.954 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CCN1C(=O)C#CC1CC1)CC2 ZINC000950748005 611885449 /nfs/dbraw/zinc/88/54/49/611885449.db2.gz GWTCGKCJGCAFJW-LSDHHAIUSA-N 1 2 340.427 0.954 20 30 ECEDLO C#CC[NH+]1CCC2(CC1)CN(C(=O)c1ccc3[nH]nnc3c1)CCO2 ZINC000949241929 611915537 /nfs/dbraw/zinc/91/55/37/611915537.db2.gz ZGWNSIDTBHNVSL-UHFFFAOYSA-N 1 2 339.399 0.898 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000949298031 611931245 /nfs/dbraw/zinc/93/12/45/611931245.db2.gz HTZMPMLCXYQTMA-SMDDNHRTSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000949298031 611931246 /nfs/dbraw/zinc/93/12/46/611931246.db2.gz HTZMPMLCXYQTMA-SMDDNHRTSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CC1)C[N@@H+]([C@H]1CCN(C)C1=O)CCO2 ZINC000949320711 611938207 /nfs/dbraw/zinc/93/82/07/611938207.db2.gz UBHRJEKZISKCRS-KGLIPLIRSA-N 1 2 334.420 0.070 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CC1)C[N@H+]([C@H]1CCN(C)C1=O)CCO2 ZINC000949320711 611938208 /nfs/dbraw/zinc/93/82/08/611938208.db2.gz UBHRJEKZISKCRS-KGLIPLIRSA-N 1 2 334.420 0.070 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc(=O)n(C)c3)CC2)C1 ZINC000949405617 611967114 /nfs/dbraw/zinc/96/71/14/611967114.db2.gz AVJVKOYLRPFUNV-UHFFFAOYSA-N 1 2 329.400 0.326 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccc(=O)n(C)c3)CC2)C1 ZINC000949405617 611967115 /nfs/dbraw/zinc/96/71/15/611967115.db2.gz AVJVKOYLRPFUNV-UHFFFAOYSA-N 1 2 329.400 0.326 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCC(=O)N(C)C3)CC2)C1 ZINC000949534417 612024203 /nfs/dbraw/zinc/02/42/03/612024203.db2.gz XBYHDWJKBNGTOC-HNNXBMFYSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCC(=O)N(C)C3)CC2)C1 ZINC000949534417 612024204 /nfs/dbraw/zinc/02/42/04/612024204.db2.gz XBYHDWJKBNGTOC-HNNXBMFYSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ncccc1O ZINC000949541987 612027258 /nfs/dbraw/zinc/02/72/58/612027258.db2.gz UFESDIVNEHNEAV-KGLIPLIRSA-N 1 2 342.399 0.216 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ncccc1O ZINC000949541987 612027259 /nfs/dbraw/zinc/02/72/59/612027259.db2.gz UFESDIVNEHNEAV-KGLIPLIRSA-N 1 2 342.399 0.216 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)[nH]1 ZINC000951250185 612104235 /nfs/dbraw/zinc/10/42/35/612104235.db2.gz IWXKQCKWUIKZMI-ZDUSSCGKSA-N 1 2 326.360 0.504 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)C#N)C1 ZINC000951869630 612105088 /nfs/dbraw/zinc/10/50/88/612105088.db2.gz GFMOVELIFHOFJK-GXTWGEPZSA-N 1 2 330.388 0.900 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000952031905 612190077 /nfs/dbraw/zinc/19/00/77/612190077.db2.gz SFWXXCSGLKNAPF-UONOGXRCSA-N 1 2 326.400 0.960 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)Cc2[nH]c[nH+]c2C)cn1 ZINC000951381630 612196188 /nfs/dbraw/zinc/19/61/88/612196188.db2.gz JFRNSQYYNCIYSJ-HNNXBMFYSA-N 1 2 337.383 0.668 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@]2(CCN(C(=O)[C@@H](C)C#N)C2)C1 ZINC000953199311 612201182 /nfs/dbraw/zinc/20/11/82/612201182.db2.gz LRDITJHIGJGSFS-SJCJKPOMSA-N 1 2 329.404 0.871 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC(N(C)C(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC000955113102 612270553 /nfs/dbraw/zinc/27/05/53/612270553.db2.gz GATPVIXQGHLLTO-UHFFFAOYSA-N 1 2 343.391 0.103 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000955204678 612348975 /nfs/dbraw/zinc/34/89/75/612348975.db2.gz AHIRYGQAPFTGOA-GFCCVEGCSA-N 1 2 338.371 0.710 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC000953452708 612360394 /nfs/dbraw/zinc/36/03/94/612360394.db2.gz QCORFEZGRVLIGS-HOCLYGCPSA-N 1 2 326.400 0.815 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)C1CN(C(=O)C#CC3CC3)C1)C2 ZINC000954607962 612445629 /nfs/dbraw/zinc/44/56/29/612445629.db2.gz CMANPEFMFXLJOO-AWEZNQCLSA-N 1 2 340.427 0.906 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)C1CN(C(=O)C#CC3CC3)C1)CC2 ZINC000954607962 612445631 /nfs/dbraw/zinc/44/56/31/612445631.db2.gz CMANPEFMFXLJOO-AWEZNQCLSA-N 1 2 340.427 0.906 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc(CC)[nH]n2)C1 ZINC000954630865 612468076 /nfs/dbraw/zinc/46/80/76/612468076.db2.gz MZPXSZOJNQBOAE-INIZCTEOSA-N 1 2 343.431 0.353 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc(CC)[nH]n2)C1 ZINC000954630865 612468079 /nfs/dbraw/zinc/46/80/79/612468079.db2.gz MZPXSZOJNQBOAE-INIZCTEOSA-N 1 2 343.431 0.353 20 30 ECEDLO O=C(C#CC1CC1)N1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000956004345 612596236 /nfs/dbraw/zinc/59/62/36/612596236.db2.gz XBLRUIXWMVFIFQ-CVEARBPZSA-N 1 2 340.427 0.966 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000956841369 612614121 /nfs/dbraw/zinc/61/41/21/612614121.db2.gz HVXHCXOOOZZCCK-QGZVFWFLSA-N 1 2 340.387 0.881 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000954837523 612731065 /nfs/dbraw/zinc/73/10/65/612731065.db2.gz OZEJAOGKJUKDGD-CVEARBPZSA-N 1 2 346.431 0.613 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000954200392 612759311 /nfs/dbraw/zinc/75/93/11/612759311.db2.gz GTXUVQBXNHATAX-CABCVRRESA-N 1 2 346.431 0.993 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)Cc3[nH]c[nH+]c3C)C2)cn1 ZINC000954913613 612783400 /nfs/dbraw/zinc/78/34/00/612783400.db2.gz YEBULTZUBOCSQV-UHFFFAOYSA-N 1 2 337.383 0.620 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)Cc2c[nH+]c[nH]2)[nH]1 ZINC000956255849 612803215 /nfs/dbraw/zinc/80/32/15/612803215.db2.gz IXTTXJHWGKOSPS-ZDUSSCGKSA-N 1 2 326.360 0.573 20 30 ECEDLO O=C(C#CC1CC1)N1CC[NH+]([C@@H]2CCN(C(=O)CC3CC3)C2)CC1 ZINC000956591776 612921002 /nfs/dbraw/zinc/92/10/02/612921002.db2.gz HDYUANADHMEIAI-QGZVFWFLSA-N 1 2 329.444 0.945 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)/C=C/C3CC3)C2)CC1 ZINC000956606937 612924936 /nfs/dbraw/zinc/92/49/36/612924936.db2.gz WQTLWKSQVPRCRA-ATQQARJTSA-N 1 2 330.432 0.857 20 30 ECEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccnc1C#N ZINC001164699916 719839953 /nfs/dbraw/zinc/83/99/53/719839953.db2.gz IXRBHDIGBQBWJQ-CXAGYDPISA-N 1 2 345.403 0.581 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)c1 ZINC000972993247 738504589 /nfs/dbraw/zinc/50/45/89/738504589.db2.gz ZYEBYHLOFZXIBG-UKRRQHHQSA-N 1 2 338.371 0.456 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1c1cnc(C#N)cn1 ZINC001067549477 731522135 /nfs/dbraw/zinc/52/21/35/731522135.db2.gz IRXYPGSKKAXAQV-NWDGAFQWSA-N 1 2 325.376 0.788 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(Cl)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001069974665 790267356 /nfs/dbraw/zinc/26/73/56/790267356.db2.gz JXILUHPFXYRADG-NEPJUHHUSA-N 1 2 335.799 0.506 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001069974665 790267360 /nfs/dbraw/zinc/26/73/60/790267360.db2.gz JXILUHPFXYRADG-NEPJUHHUSA-N 1 2 335.799 0.506 20 30 ECEDLO COc1cncc(C[NH+]2CC([C@H](C)NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000969461728 731909427 /nfs/dbraw/zinc/90/94/27/731909427.db2.gz AASROHNGXINAKW-NSHDSACASA-N 1 2 340.387 0.935 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4ncn(C)c4n3)[C@H]2C1 ZINC001083191528 732087486 /nfs/dbraw/zinc/08/74/86/732087486.db2.gz BYNASYNJVXZMTK-JKSUJKDBSA-N 1 2 339.399 0.517 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4ncn(C)c4n3)[C@H]2C1 ZINC001083191528 732087490 /nfs/dbraw/zinc/08/74/90/732087490.db2.gz BYNASYNJVXZMTK-JKSUJKDBSA-N 1 2 339.399 0.517 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4ncn(C)c4n3)[C@H]2C1 ZINC001083191794 732292471 /nfs/dbraw/zinc/29/24/71/732292471.db2.gz RXCJHGOCNRCDCY-LSDHHAIUSA-N 1 2 325.372 0.127 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4ncn(C)c4n3)[C@H]2C1 ZINC001083191794 732292474 /nfs/dbraw/zinc/29/24/74/732292474.db2.gz RXCJHGOCNRCDCY-LSDHHAIUSA-N 1 2 325.372 0.127 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](O)CN(C)c1cc[nH+]c(C)n1 ZINC001125309308 732506493 /nfs/dbraw/zinc/50/64/93/732506493.db2.gz GQKJRQWMNRUSHV-KFWWJZLASA-N 1 2 334.420 0.632 20 30 ECEDLO CN(C[C@H](O)CN(C)c1ccc(C#N)cn1)C(=O)Cc1c[nH+]c[nH]1 ZINC001125314920 732872596 /nfs/dbraw/zinc/87/25/96/732872596.db2.gz GLQFGAGROMILMM-CQSZACIVSA-N 1 2 328.376 0.175 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCC)C2)nn1 ZINC001098598655 738669773 /nfs/dbraw/zinc/66/97/73/738669773.db2.gz IIRRIOQKPXKSAL-UKRRQHHQSA-N 1 2 346.435 0.079 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NCC[NH2+]Cc2nnc([C@@H]3CCCOC3)o2)c1 ZINC001125360275 733172328 /nfs/dbraw/zinc/17/23/28/733172328.db2.gz AHULBKCSNWFWKF-GFCCVEGCSA-N 1 2 344.375 0.683 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2O)CC1 ZINC000970336181 733369069 /nfs/dbraw/zinc/36/90/69/733369069.db2.gz IQFHEUCMDHWOST-CABCVRRESA-N 1 2 332.404 0.387 20 30 ECEDLO C[C@H](NC(=O)[C@H]1CNC(=O)N1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970355757 733406166 /nfs/dbraw/zinc/40/61/66/733406166.db2.gz AGAJFRPFOKIVTI-ZUZCIYMTSA-N 1 2 345.378 0.315 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@@H](O)C1 ZINC000970433490 733525024 /nfs/dbraw/zinc/52/50/24/733525024.db2.gz RYVBXOPHLDDTMO-YUTCNCBUSA-N 1 2 346.431 0.730 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H](C)C1C[NH+](CC(=O)NC)C1 ZINC000970712706 733860544 /nfs/dbraw/zinc/86/05/44/733860544.db2.gz BSZKGOFQKRJAQN-LBPRGKRZSA-N 1 2 332.404 0.443 20 30 ECEDLO N#Cc1ccc(NCC2(O)CCN(C(=O)Cn3cc[nH+]c3)CC2)cn1 ZINC001067477054 734225083 /nfs/dbraw/zinc/22/50/83/734225083.db2.gz PYNVLSXBERSALC-UHFFFAOYSA-N 1 2 340.387 0.615 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1scnc1C1CC1 ZINC001114943154 734236209 /nfs/dbraw/zinc/23/62/09/734236209.db2.gz UCPZWKLIOUBCKH-YABSGUDNSA-N 1 2 345.428 0.320 20 30 ECEDLO N#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1scnc1C1CC1 ZINC001114943154 734236211 /nfs/dbraw/zinc/23/62/11/734236211.db2.gz UCPZWKLIOUBCKH-YABSGUDNSA-N 1 2 345.428 0.320 20 30 ECEDLO N#Cc1cccnc1N1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001104321968 734298490 /nfs/dbraw/zinc/29/84/90/734298490.db2.gz SLJYNRDQQWVMMJ-AWEZNQCLSA-N 1 2 326.360 0.171 20 30 ECEDLO N#Cc1ccc(N2CCO[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC001104325926 734321624 /nfs/dbraw/zinc/32/16/24/734321624.db2.gz AVQHTLDPEDSGAI-CQSZACIVSA-N 1 2 326.360 0.240 20 30 ECEDLO N#Cc1ccc(NCC2(O)CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)nc1 ZINC001067479088 734340505 /nfs/dbraw/zinc/34/05/05/734340505.db2.gz YKPGWLXHPLSJDW-UHFFFAOYSA-N 1 2 340.387 0.684 20 30 ECEDLO N#Cc1cnccc1NCC1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001067479159 734342650 /nfs/dbraw/zinc/34/26/50/734342650.db2.gz ZWGWQUJJYVIJTR-UHFFFAOYSA-N 1 2 340.387 0.106 20 30 ECEDLO CCn1nncc1C[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971284817 734421166 /nfs/dbraw/zinc/42/11/66/734421166.db2.gz IPGGZXOEAIXLLT-CYBMUJFWSA-N 1 2 327.392 0.844 20 30 ECEDLO CCn1nncc1C[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000971284817 734421169 /nfs/dbraw/zinc/42/11/69/734421169.db2.gz IPGGZXOEAIXLLT-CYBMUJFWSA-N 1 2 327.392 0.844 20 30 ECEDLO N#CCN1C[C@H]2OCCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)[C@H]2C1 ZINC001083239222 735557930 /nfs/dbraw/zinc/55/79/30/735557930.db2.gz ZHHJOEXRTASYNQ-JKSUJKDBSA-N 1 2 338.371 0.316 20 30 ECEDLO Cc1nc(C)n(CC[N@@H+]2CCO[C@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)n1 ZINC000972297085 735905791 /nfs/dbraw/zinc/90/57/91/735905791.db2.gz GJUFMCORWSWOAM-SUMWQHHRSA-N 1 2 346.435 0.358 20 30 ECEDLO Cc1nc(C)n(CC[N@H+]2CCO[C@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)n1 ZINC000972297085 735905794 /nfs/dbraw/zinc/90/57/94/735905794.db2.gz GJUFMCORWSWOAM-SUMWQHHRSA-N 1 2 346.435 0.358 20 30 ECEDLO Cc1noc(CCC[N@@H+]2CCO[C@@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)n1 ZINC000972297403 735906625 /nfs/dbraw/zinc/90/66/25/735906625.db2.gz IOYBAZGABTUTMS-GUYCJALGSA-N 1 2 347.419 0.774 20 30 ECEDLO Cc1noc(CCC[N@H+]2CCO[C@@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)n1 ZINC000972297403 735906628 /nfs/dbraw/zinc/90/66/28/735906628.db2.gz IOYBAZGABTUTMS-GUYCJALGSA-N 1 2 347.419 0.774 20 30 ECEDLO CC#CC[NH+]1CCC2(CC1)CN(C(=O)CS(C)(=O)=O)C[C@@H](C)O2 ZINC001098567325 735913342 /nfs/dbraw/zinc/91/33/42/735913342.db2.gz IGZZUJKDTZUPNO-CQSZACIVSA-N 1 2 342.461 0.136 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H](C)N3CCCCC3=O)C2)C1 ZINC000972377674 736044203 /nfs/dbraw/zinc/04/42/03/736044203.db2.gz LFDAOULALAHIDF-QFBILLFUSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H](C)N3CCCCC3=O)C2)C1 ZINC000972377674 736044207 /nfs/dbraw/zinc/04/42/07/736044207.db2.gz LFDAOULALAHIDF-QFBILLFUSA-N 1 2 347.459 0.714 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(OC)ncn3)C2)C1 ZINC000972380372 736049279 /nfs/dbraw/zinc/04/92/79/736049279.db2.gz GKWHRAUQQIIZOC-QGZVFWFLSA-N 1 2 330.388 0.425 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(OC)ncn3)C2)C1 ZINC000972380372 736049282 /nfs/dbraw/zinc/04/92/82/736049282.db2.gz GKWHRAUQQIIZOC-QGZVFWFLSA-N 1 2 330.388 0.425 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccn4nnnc34)C2)C1 ZINC000972395081 736118914 /nfs/dbraw/zinc/11/89/14/736118914.db2.gz XSTZCISJZDTOAO-MRXNPFEDSA-N 1 2 328.376 0.227 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccn4nnnc34)C2)C1 ZINC000972395081 736118918 /nfs/dbraw/zinc/11/89/18/736118918.db2.gz XSTZCISJZDTOAO-MRXNPFEDSA-N 1 2 328.376 0.227 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c4c(nn3C)CCCC4)C2)C1 ZINC000972399866 736125728 /nfs/dbraw/zinc/12/57/28/736125728.db2.gz OQTDPCCLJUJJMX-IBGZPJMESA-N 1 2 342.443 0.849 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c4c(nn3C)CCCC4)C2)C1 ZINC000972399866 736125730 /nfs/dbraw/zinc/12/57/30/736125730.db2.gz OQTDPCCLJUJJMX-IBGZPJMESA-N 1 2 342.443 0.849 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 ZINC000972413289 736148918 /nfs/dbraw/zinc/14/89/18/736148918.db2.gz HMKSCTCWXYFQHK-KRWDZBQOSA-N 1 2 327.388 0.832 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 ZINC000972413289 736148919 /nfs/dbraw/zinc/14/89/19/736148919.db2.gz HMKSCTCWXYFQHK-KRWDZBQOSA-N 1 2 327.388 0.832 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccnn3CCOC)C2)C1 ZINC000972427996 736174116 /nfs/dbraw/zinc/17/41/16/736174116.db2.gz DQGDXOUCUYBRIF-KRWDZBQOSA-N 1 2 334.420 0.632 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccnn3CCOC)C2)C1 ZINC000972427996 736174119 /nfs/dbraw/zinc/17/41/19/736174119.db2.gz DQGDXOUCUYBRIF-KRWDZBQOSA-N 1 2 334.420 0.632 20 30 ECEDLO N#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000972441620 736201961 /nfs/dbraw/zinc/20/19/61/736201961.db2.gz SVNFRGGOBFGTKV-YOEHRIQHSA-N 1 2 329.404 0.272 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nncn4CC3)C2)C1 ZINC000972471384 736280673 /nfs/dbraw/zinc/28/06/73/736280673.db2.gz IYMJVLCNZKJLME-QAPCUYQASA-N 1 2 345.447 0.720 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nncn4CC3)C2)C1 ZINC000972471384 736280676 /nfs/dbraw/zinc/28/06/76/736280676.db2.gz IYMJVLCNZKJLME-QAPCUYQASA-N 1 2 345.447 0.720 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](OC)c3cnn(C)c3)C2)C1 ZINC000972481151 736309838 /nfs/dbraw/zinc/30/98/38/736309838.db2.gz YDUKOEFRRITFCZ-WBVHZDCISA-N 1 2 334.420 0.597 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](OC)c3cnn(C)c3)C2)C1 ZINC000972481151 736309842 /nfs/dbraw/zinc/30/98/42/736309842.db2.gz YDUKOEFRRITFCZ-WBVHZDCISA-N 1 2 334.420 0.597 20 30 ECEDLO C[C@H](CNc1ncnc2c1C[N@H+](C)CC2)N(C)C(=O)CSCC#N ZINC001104464317 736435839 /nfs/dbraw/zinc/43/58/39/736435839.db2.gz VBSMOHCBNVJPGE-GFCCVEGCSA-N 1 2 348.476 0.980 20 30 ECEDLO C[C@H](CNc1ncnc2c1C[N@@H+](C)CC2)N(C)C(=O)CSCC#N ZINC001104464317 736435840 /nfs/dbraw/zinc/43/58/40/736435840.db2.gz VBSMOHCBNVJPGE-GFCCVEGCSA-N 1 2 348.476 0.980 20 30 ECEDLO Cn1ncnc1C[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001023314017 736671867 /nfs/dbraw/zinc/67/18/67/736671867.db2.gz GCFKTOSOWASSLY-GFCCVEGCSA-N 1 2 327.392 0.657 20 30 ECEDLO Cn1ncnc1C[N@H+]1CCC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001023314017 736671869 /nfs/dbraw/zinc/67/18/69/736671869.db2.gz GCFKTOSOWASSLY-GFCCVEGCSA-N 1 2 327.392 0.657 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(CCOC)c3)[C@H]2C1 ZINC001083261884 736995716 /nfs/dbraw/zinc/99/57/16/736995716.db2.gz QPCLPKIEVHVLCJ-JKSUJKDBSA-N 1 2 332.404 0.078 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(CCOC)c3)[C@H]2C1 ZINC001083261884 736995719 /nfs/dbraw/zinc/99/57/19/736995719.db2.gz QPCLPKIEVHVLCJ-JKSUJKDBSA-N 1 2 332.404 0.078 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3ncccn3)C2)C1 ZINC000972605430 737078362 /nfs/dbraw/zinc/07/83/62/737078362.db2.gz NQWHNHQYXKTVHJ-GOSISDBHSA-N 1 2 328.416 0.736 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3ncccn3)C2)C1 ZINC000972605430 737078368 /nfs/dbraw/zinc/07/83/68/737078368.db2.gz NQWHNHQYXKTVHJ-GOSISDBHSA-N 1 2 328.416 0.736 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c(C)cc3=O)C2)C1 ZINC000972624655 737137153 /nfs/dbraw/zinc/13/71/53/737137153.db2.gz SBBXCXHAQKSPST-SFHVURJKSA-N 1 2 329.400 0.624 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)c3c[nH]c(C)cc3=O)C2)C1 ZINC000972624655 737137155 /nfs/dbraw/zinc/13/71/55/737137155.db2.gz SBBXCXHAQKSPST-SFHVURJKSA-N 1 2 329.400 0.624 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3cc4ccccc4n3)C2)C1 ZINC000972639330 737202471 /nfs/dbraw/zinc/20/24/71/737202471.db2.gz RYZQQDQOPINXAP-LJQANCHMSA-N 1 2 338.411 0.973 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3cc4ccccc4n3)C2)C1 ZINC000972639330 737202475 /nfs/dbraw/zinc/20/24/75/737202475.db2.gz RYZQQDQOPINXAP-LJQANCHMSA-N 1 2 338.411 0.973 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cccc(NC(N)=O)c3)C2)C1 ZINC000972669409 737315763 /nfs/dbraw/zinc/31/57/63/737315763.db2.gz MCEDTVPLGYITKF-GOSISDBHSA-N 1 2 342.399 0.727 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cccc(NC(N)=O)c3)C2)C1 ZINC000972669409 737315765 /nfs/dbraw/zinc/31/57/65/737315765.db2.gz MCEDTVPLGYITKF-GOSISDBHSA-N 1 2 342.399 0.727 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4c[nH]nc4C3)C2)C1 ZINC000972684342 737374342 /nfs/dbraw/zinc/37/43/42/737374342.db2.gz RPKYNYJDYJVHPQ-KBXCAEBGSA-N 1 2 328.416 0.451 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4c[nH]nc4C3)C2)C1 ZINC000972684342 737374350 /nfs/dbraw/zinc/37/43/50/737374350.db2.gz RPKYNYJDYJVHPQ-KBXCAEBGSA-N 1 2 328.416 0.451 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)N3CCCCC3=O)C2)C1 ZINC000972689777 737388970 /nfs/dbraw/zinc/38/89/70/737388970.db2.gz ZSHFBFGVGBMZLG-CRAIPNDOSA-N 1 2 335.448 0.877 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)N3CCCCC3=O)C2)C1 ZINC000972689777 737388976 /nfs/dbraw/zinc/38/89/76/737388976.db2.gz ZSHFBFGVGBMZLG-CRAIPNDOSA-N 1 2 335.448 0.877 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(C(N)=O)n3)C2)C1 ZINC000972691748 737395033 /nfs/dbraw/zinc/39/50/33/737395033.db2.gz HKRAGTKJSKKIFR-KRWDZBQOSA-N 1 2 330.388 0.283 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(C(N)=O)n3)C2)C1 ZINC000972691748 737395034 /nfs/dbraw/zinc/39/50/34/737395034.db2.gz HKRAGTKJSKKIFR-KRWDZBQOSA-N 1 2 330.388 0.283 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)cc(C)[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001069992760 790287637 /nfs/dbraw/zinc/28/76/37/790287637.db2.gz UAEZKALQQGIDKX-KGLIPLIRSA-N 1 2 340.387 0.284 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)cc(C)[nH]c2=O)[C@@H](n2ccnn2)C1 ZINC001069992760 790287640 /nfs/dbraw/zinc/28/76/40/790287640.db2.gz UAEZKALQQGIDKX-KGLIPLIRSA-N 1 2 340.387 0.284 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)C(=C)C)C[C@H]1O ZINC001024358725 737920776 /nfs/dbraw/zinc/92/07/76/737920776.db2.gz RSPCEWLVILDCCH-OWCLPIDISA-N 1 2 347.459 0.374 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)C(=C)C)C[C@H]1O ZINC001024358725 737920778 /nfs/dbraw/zinc/92/07/78/737920778.db2.gz RSPCEWLVILDCCH-OWCLPIDISA-N 1 2 347.459 0.374 20 30 ECEDLO Cn1nncc1C[N@@H+]1CCCC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001024399830 737940884 /nfs/dbraw/zinc/94/08/84/737940884.db2.gz PHBFWPHPNSKCCN-AWEZNQCLSA-N 1 2 327.392 0.799 20 30 ECEDLO Cn1nncc1C[N@H+]1CCCC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001024399830 737940888 /nfs/dbraw/zinc/94/08/88/737940888.db2.gz PHBFWPHPNSKCCN-AWEZNQCLSA-N 1 2 327.392 0.799 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CC3CS(=O)(=O)C3)C(C)(C)[C@H]21 ZINC001087293136 738134907 /nfs/dbraw/zinc/13/49/07/738134907.db2.gz YWBNYFHLAJYZEJ-BMFZPTHFSA-N 1 2 338.473 0.660 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC3CS(=O)(=O)C3)C(C)(C)[C@H]21 ZINC001087293136 738134910 /nfs/dbraw/zinc/13/49/10/738134910.db2.gz YWBNYFHLAJYZEJ-BMFZPTHFSA-N 1 2 338.473 0.660 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CCCC[N@H+]2CC(=O)NC2CC2)c1 ZINC001024644196 738195458 /nfs/dbraw/zinc/19/54/58/738195458.db2.gz MNGFOPFELFOLPS-QGZVFWFLSA-N 1 2 340.427 0.926 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(=O)NC2CC2)c1 ZINC001024644196 738195461 /nfs/dbraw/zinc/19/54/61/738195461.db2.gz MNGFOPFELFOLPS-QGZVFWFLSA-N 1 2 340.427 0.926 20 30 ECEDLO C[C@H](CNc1ccnc(C#N)n1)N(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001104613034 739210073 /nfs/dbraw/zinc/21/00/73/739210073.db2.gz FULRBCQZOBFFRP-CYBMUJFWSA-N 1 2 346.435 0.140 20 30 ECEDLO C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001104613428 739211577 /nfs/dbraw/zinc/21/15/77/739211577.db2.gz KXXQAAUNTTUVRK-CYBMUJFWSA-N 1 2 346.435 0.718 20 30 ECEDLO C[C@@H](CNc1ccnc(C#N)n1)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001104624885 739260246 /nfs/dbraw/zinc/26/02/46/739260246.db2.gz SJMOCKLGCSGGLQ-NSHDSACASA-N 1 2 327.392 0.730 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3Cc4cccc(F)c4O3)[C@H]2C1 ZINC001083280484 739280627 /nfs/dbraw/zinc/28/06/27/739280627.db2.gz TVMDCLYQLDJMNU-HRCADAONSA-N 1 2 330.359 0.674 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3Cc4cccc(F)c4O3)[C@H]2C1 ZINC001083280484 739280630 /nfs/dbraw/zinc/28/06/30/739280630.db2.gz TVMDCLYQLDJMNU-HRCADAONSA-N 1 2 330.359 0.674 20 30 ECEDLO C=CCCC[NH2+]Cc1cn(C2CN(C(=O)Cc3ncn[nH]3)C2)nn1 ZINC001105359505 751433224 /nfs/dbraw/zinc/43/32/24/751433224.db2.gz KVYKIAAODHWHMQ-UHFFFAOYSA-N 1 2 330.396 0.078 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)[C@@H](C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001104683666 739479802 /nfs/dbraw/zinc/47/98/02/739479802.db2.gz LYJNMYGKVSQHHK-NWDGAFQWSA-N 1 2 334.424 0.543 20 30 ECEDLO C[C@@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001104730499 739546136 /nfs/dbraw/zinc/54/61/36/739546136.db2.gz YGPODMISZGKUSG-QWHCGFSZSA-N 1 2 339.403 0.488 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(C)nc3Cl)C2)nn1 ZINC001105359551 751458340 /nfs/dbraw/zinc/45/83/40/751458340.db2.gz MZHRIMCFKPPITN-UHFFFAOYSA-N 1 2 333.783 0.085 20 30 ECEDLO N#Cc1nccc(N2CCC3(C[C@@H]3NC(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC001058639295 739652891 /nfs/dbraw/zinc/65/28/91/739652891.db2.gz CPRHSULTCKFSOL-LBPRGKRZSA-N 1 2 337.387 0.789 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3nnc(C)[nH]3)C[C@H]21 ZINC001025814077 739997357 /nfs/dbraw/zinc/99/73/57/739997357.db2.gz OJEVCWIMUFZZFG-HVQZGBDUSA-N 1 2 342.447 0.318 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3nnc(C)[nH]3)C[C@H]21 ZINC001025814077 739997360 /nfs/dbraw/zinc/99/73/60/739997360.db2.gz OJEVCWIMUFZZFG-HVQZGBDUSA-N 1 2 342.447 0.318 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2c[nH]c3cnccc23)[C@@H](n2ccnn2)C1 ZINC001070006042 790305859 /nfs/dbraw/zinc/30/58/59/790305859.db2.gz ACTDDWBJMDKAIO-SJORKVTESA-N 1 2 349.398 0.372 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH]c3cnccc23)[C@@H](n2ccnn2)C1 ZINC001070006042 790305864 /nfs/dbraw/zinc/30/58/64/790305864.db2.gz ACTDDWBJMDKAIO-SJORKVTESA-N 1 2 349.398 0.372 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2Cc3ccc(F)cc32)[C@@H](n2ccnn2)C1 ZINC001070007917 790310167 /nfs/dbraw/zinc/31/01/67/790310167.db2.gz HCICPYSRKFSGTD-BBWFWOEESA-N 1 2 339.374 0.732 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2Cc3ccc(F)cc32)[C@@H](n2ccnn2)C1 ZINC001070007917 790310176 /nfs/dbraw/zinc/31/01/76/790310176.db2.gz HCICPYSRKFSGTD-BBWFWOEESA-N 1 2 339.374 0.732 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)COc3ccc(F)c(F)c3)[C@H]2C1 ZINC001083289927 740360642 /nfs/dbraw/zinc/36/06/42/740360642.db2.gz WWZIPGNPEGBLPL-JKSUJKDBSA-N 1 2 336.338 0.888 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)COc3ccc(F)c(F)c3)[C@H]2C1 ZINC001083289927 740360648 /nfs/dbraw/zinc/36/06/48/740360648.db2.gz WWZIPGNPEGBLPL-JKSUJKDBSA-N 1 2 336.338 0.888 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNc1ncnc2[nH]cnc21 ZINC001104861781 740747919 /nfs/dbraw/zinc/74/79/19/740747919.db2.gz AJUVSIYFVNWGNY-STQMWFEESA-N 1 2 341.419 0.661 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNc1ncnc2[nH]cnc21 ZINC001104861781 740747922 /nfs/dbraw/zinc/74/79/22/740747922.db2.gz AJUVSIYFVNWGNY-STQMWFEESA-N 1 2 341.419 0.661 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)nn1 ZINC000974143288 741000194 /nfs/dbraw/zinc/00/01/94/741000194.db2.gz MECSEJREFPHDHJ-TXEJJXNPSA-N 1 2 343.391 0.115 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000974183152 741070069 /nfs/dbraw/zinc/07/00/69/741070069.db2.gz XCFFXFNXNHPKMF-RQJABVFESA-N 1 2 332.404 0.697 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)CC3CCCC3)C2)nn1 ZINC001105142193 741416724 /nfs/dbraw/zinc/41/67/24/741416724.db2.gz JXCAOLHMOILMNS-UHFFFAOYSA-N 1 2 345.447 0.981 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC3(C)C)C2)nn1 ZINC001105213892 741477194 /nfs/dbraw/zinc/47/71/94/741477194.db2.gz SODOJRVLGWMXDY-OAHLLOKOSA-N 1 2 331.420 0.447 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@](C)(O)C3CC3)C2)nn1 ZINC001105216746 741489646 /nfs/dbraw/zinc/48/96/46/741489646.db2.gz ZNSXWAUHGCBTLR-KRWDZBQOSA-N 1 2 331.420 0.325 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)c3[nH]ccc3C)C2)nn1 ZINC001105223980 741502339 /nfs/dbraw/zinc/50/23/39/741502339.db2.gz RAVVOHZYLKFUQD-UHFFFAOYSA-N 1 2 342.403 0.351 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)C3CC(C)(C)C3)C2)nn1 ZINC001105225257 741506958 /nfs/dbraw/zinc/50/69/58/741506958.db2.gz OAGYETAIODFBSK-UHFFFAOYSA-N 1 2 345.447 0.837 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCc4n[nH]cc43)C2)nn1 ZINC001105240678 741534778 /nfs/dbraw/zinc/53/47/78/741534778.db2.gz XVOVTDCGLWDRPF-AWEZNQCLSA-N 1 2 339.403 0.227 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3OCC[C@H]3C(C)C)C2)nn1 ZINC001105242545 741538908 /nfs/dbraw/zinc/53/89/08/741538908.db2.gz ABZCAGHFIFUBGD-HOTGVXAUSA-N 1 2 331.420 0.445 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC(n2cc(C[NH2+]CC(=O)NCC)nn2)C1 ZINC001105249421 741553411 /nfs/dbraw/zinc/55/34/11/741553411.db2.gz UPTZUGMUOLDXFM-UHFFFAOYSA-N 1 2 348.451 0.489 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC(n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001105249642 741558410 /nfs/dbraw/zinc/55/84/10/741558410.db2.gz ZYMJGPQYPGTGBS-UHFFFAOYSA-N 1 2 334.424 0.099 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cn4c(n3)CCCC4)C2)nn1 ZINC001105254103 741565065 /nfs/dbraw/zinc/56/50/65/741565065.db2.gz NZINKXHVSFLUIB-UHFFFAOYSA-N 1 2 339.403 0.231 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCO[C@H]3CC)C2)nn1 ZINC001105256456 741577110 /nfs/dbraw/zinc/57/71/10/741577110.db2.gz FJCSSARPKIPCTM-HOTGVXAUSA-N 1 2 331.420 0.589 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)COCC3CCCC3)C2)nn1 ZINC001105262128 741587941 /nfs/dbraw/zinc/58/79/41/741587941.db2.gz IKHWQEAAXVBTFN-UHFFFAOYSA-N 1 2 331.420 0.591 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3cnn4ccccc34)C2)nn1 ZINC001105262115 741587978 /nfs/dbraw/zinc/58/79/78/741587978.db2.gz HXQJMRSMHGOGOK-UHFFFAOYSA-N 1 2 349.398 0.275 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3cnccc3OC)C2)nn1 ZINC001105268517 741611428 /nfs/dbraw/zinc/61/14/28/741611428.db2.gz QTLZXIQGSYAVFQ-UHFFFAOYSA-N 1 2 340.387 0.031 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CC(C)(C)CO3)C2)nn1 ZINC001105280964 741636831 /nfs/dbraw/zinc/63/68/31/741636831.db2.gz MYVYHPBOWWQRDY-OAHLLOKOSA-N 1 2 331.420 0.589 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3nc(C)n4ccccc34)C2)nn1 ZINC001105280775 741636995 /nfs/dbraw/zinc/63/69/95/741636995.db2.gz CHVZWSFGOMBJGW-UHFFFAOYSA-N 1 2 349.398 0.654 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@]3(C)CCO[C@H]3C)C2)nn1 ZINC001105289424 741653062 /nfs/dbraw/zinc/65/30/62/741653062.db2.gz COIPLGAQRDVQOO-SUMWQHHRSA-N 1 2 331.420 0.589 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(=O)N(C)C)nn2)C1 ZINC001105297496 741675199 /nfs/dbraw/zinc/67/51/99/741675199.db2.gz OYFMCBBWESGNGG-LBPRGKRZSA-N 1 2 348.451 0.440 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC(n2cc(C[NH2+]CC(=O)NCC)nn2)C1 ZINC001105305674 741700561 /nfs/dbraw/zinc/70/05/61/741700561.db2.gz LZIJCJPKPQWSOH-QWHCGFSZSA-N 1 2 348.451 0.345 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CC(n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001105310295 741715570 /nfs/dbraw/zinc/71/55/70/741715570.db2.gz WRZNDLJDUPFSSS-NEPJUHHUSA-N 1 2 334.424 0.227 20 30 ECEDLO C=CCCCC(=O)N1CC(n2cc(C[NH2+]CC(=O)N3CCC3)nn2)C1 ZINC001105315318 741743984 /nfs/dbraw/zinc/74/39/84/741743984.db2.gz HIQVBEWDXURPDD-UHFFFAOYSA-N 1 2 346.435 0.340 20 30 ECEDLO C=CCCCC(=O)N1CC(n2cc(C[NH2+][C@@H]3CCCNC3=O)nn2)C1 ZINC001105317049 741751362 /nfs/dbraw/zinc/75/13/62/741751362.db2.gz FUEBVYYBMWUCOO-OAHLLOKOSA-N 1 2 346.435 0.386 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccnc(OC)c3)C2)nn1 ZINC001105327047 741808369 /nfs/dbraw/zinc/80/83/69/741808369.db2.gz PZHWHRHKOTVDFQ-UHFFFAOYSA-N 1 2 340.387 0.031 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3cc(C)on3)C2)nn1 ZINC001105327102 741809761 /nfs/dbraw/zinc/80/97/61/741809761.db2.gz SFCWKOMSKBAXRH-UHFFFAOYSA-N 1 2 342.403 0.704 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CC(F)(F)C(F)F)C2)nn1 ZINC001105327120 741811906 /nfs/dbraw/zinc/81/19/06/741811906.db2.gz SWZLNGBOKFILRK-UHFFFAOYSA-N 1 2 333.289 0.675 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CC#CC)nn2)C1 ZINC001105330088 741834106 /nfs/dbraw/zinc/83/41/06/741834106.db2.gz NYZLKIRJTCOFIH-CVEARBPZSA-N 1 2 329.404 0.365 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@H]21 ZINC000974969644 742396808 /nfs/dbraw/zinc/39/68/08/742396808.db2.gz KBCWEJIMDCGVDO-GZBFAFLISA-N 1 2 329.404 0.572 20 30 ECEDLO CC1(C)CN(CC#N)C[C@H]1NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000974964546 742417839 /nfs/dbraw/zinc/41/78/39/742417839.db2.gz WJBLHKUNYBUKOR-HZPDHXFCSA-N 1 2 334.464 0.980 20 30 ECEDLO CC1(C)CN(CC#N)C[C@H]1NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000974964546 742417844 /nfs/dbraw/zinc/41/78/44/742417844.db2.gz WJBLHKUNYBUKOR-HZPDHXFCSA-N 1 2 334.464 0.980 20 30 ECEDLO CN(C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)C(=O)c1cc(C#N)c[nH]1 ZINC000988261693 751737076 /nfs/dbraw/zinc/73/70/76/751737076.db2.gz BWJSMFDJIXCKLE-LBPRGKRZSA-N 1 2 340.387 0.773 20 30 ECEDLO N#Cc1cc(C(=O)NCC[NH2+]Cc2nnc([C@H]3CCCOC3)o2)c[nH]1 ZINC001125994633 743122303 /nfs/dbraw/zinc/12/23/03/743122303.db2.gz HJHQONQZHOSBJZ-NSHDSACASA-N 1 2 344.375 0.683 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)c3cccc4[nH+]ccn43)C2)cn1 ZINC000997104153 743241306 /nfs/dbraw/zinc/24/13/06/743241306.db2.gz PRQLGSGZWPQPAS-UHFFFAOYSA-N 1 2 345.362 0.965 20 30 ECEDLO C#Cc1ccccc1CC(=O)NC1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000997243814 743400432 /nfs/dbraw/zinc/40/04/32/743400432.db2.gz CBZZUWLNXLQQEK-UHFFFAOYSA-N 1 2 336.395 0.893 20 30 ECEDLO C#Cc1ccccc1CC(=O)NC1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000997243814 743400435 /nfs/dbraw/zinc/40/04/35/743400435.db2.gz CBZZUWLNXLQQEK-UHFFFAOYSA-N 1 2 336.395 0.893 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1 ZINC000975974076 743423266 /nfs/dbraw/zinc/42/32/66/743423266.db2.gz NXGUFNATFQLIHZ-YDHLFZDLSA-N 1 2 329.404 0.572 20 30 ECEDLO N#Cc1cc(C(=O)NCC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)c[nH]1 ZINC001059867277 751828051 /nfs/dbraw/zinc/82/80/51/751828051.db2.gz LEQBDEWCILNLAP-ZDUSSCGKSA-N 1 2 340.387 0.751 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nnc(C)o2)CC1 ZINC000997832830 743842897 /nfs/dbraw/zinc/84/28/97/743842897.db2.gz WTKMMIAJUXKIIL-INIZCTEOSA-N 1 2 345.447 0.804 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)Cn2cc[nH+]c2)c1 ZINC000976467753 743979249 /nfs/dbraw/zinc/97/92/49/743979249.db2.gz PBBDCPBTVFLJPM-ZIAGYGMSSA-N 1 2 340.387 0.940 20 30 ECEDLO Cn1[nH]c(C[N@H+](C)[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)nc1=O ZINC001027372388 744022007 /nfs/dbraw/zinc/02/20/07/744022007.db2.gz RMKVHJPIDIUPPB-GFCCVEGCSA-N 1 2 343.391 0.045 20 30 ECEDLO Cn1[nH]c(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)nc1=O ZINC001027372388 744022012 /nfs/dbraw/zinc/02/20/12/744022012.db2.gz RMKVHJPIDIUPPB-GFCCVEGCSA-N 1 2 343.391 0.045 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001027392636 744139823 /nfs/dbraw/zinc/13/98/23/744139823.db2.gz SZRTXJHNDAOMKV-WDEREUQCSA-N 1 2 346.225 0.926 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001027392636 744139824 /nfs/dbraw/zinc/13/98/24/744139824.db2.gz SZRTXJHNDAOMKV-WDEREUQCSA-N 1 2 346.225 0.926 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000976727896 744250895 /nfs/dbraw/zinc/25/08/95/744250895.db2.gz NPIBENWFOCSGQC-YXRJLALLSA-N 1 2 327.388 0.178 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)COCC3CC3)C2)nn1 ZINC001098625361 744296387 /nfs/dbraw/zinc/29/63/87/744296387.db2.gz CNRPJZWGRDPSEU-INIZCTEOSA-N 1 2 331.420 0.591 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2ncc(C)cn2)C1 ZINC000998923171 744407867 /nfs/dbraw/zinc/40/78/67/744407867.db2.gz OXQIMDNXYYTIAG-JCYILVPMSA-N 1 2 341.459 0.962 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2ncc(C)cn2)C1 ZINC000998923171 744407869 /nfs/dbraw/zinc/40/78/69/744407869.db2.gz OXQIMDNXYYTIAG-JCYILVPMSA-N 1 2 341.459 0.962 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ncc(C)cn2)C1 ZINC000998923171 744407870 /nfs/dbraw/zinc/40/78/70/744407870.db2.gz OXQIMDNXYYTIAG-JCYILVPMSA-N 1 2 341.459 0.962 20 30 ECEDLO O=C(C#CC1CC1)N1CC(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000998979203 744446315 /nfs/dbraw/zinc/44/63/15/744446315.db2.gz JUEQWTIDGBJQMO-UHFFFAOYSA-N 1 2 335.367 0.621 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)CCc4c[nH]c[nH+]4)C[C@H]32)nc1 ZINC000976917091 744476031 /nfs/dbraw/zinc/47/60/31/744476031.db2.gz VBRACSOBLCIJBV-HWWDLCQESA-N 1 2 349.394 0.605 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)CCc4c[nH+]c[nH]4)C[C@H]32)nc1 ZINC000976917091 744476034 /nfs/dbraw/zinc/47/60/34/744476034.db2.gz VBRACSOBLCIJBV-HWWDLCQESA-N 1 2 349.394 0.605 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2[nH]c[nH+]c2C)c1 ZINC000976928890 744501611 /nfs/dbraw/zinc/50/16/11/744501611.db2.gz XPVWTTFIHVDZIL-HWWDLCQESA-N 1 2 349.394 0.524 20 30 ECEDLO COCCc1noc(C[NH2+][C@@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC000999129419 744525411 /nfs/dbraw/zinc/52/54/11/744525411.db2.gz QBQINKSQJMAFKA-CQSZACIVSA-N 1 2 332.404 0.753 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)c3cc[n+]([O-])cc3)[C@@H](O)C2)c1 ZINC001083323371 751932950 /nfs/dbraw/zinc/93/29/50/751932950.db2.gz BFXCMFLDXVSXRW-SJORKVTESA-N 1 2 338.367 0.167 20 30 ECEDLO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)c3cc[n+]([O-])cc3)[C@@H](O)C2)c1 ZINC001083323371 751932956 /nfs/dbraw/zinc/93/29/56/751932956.db2.gz BFXCMFLDXVSXRW-SJORKVTESA-N 1 2 338.367 0.167 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCC3CCOCC3)C2)nn1 ZINC001105339797 744701847 /nfs/dbraw/zinc/70/18/47/744701847.db2.gz XMQLJCYYEMDRHG-UHFFFAOYSA-N 1 2 331.420 0.591 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3cscn3)C2)nn1 ZINC001105339849 744733836 /nfs/dbraw/zinc/73/38/36/744733836.db2.gz ZJMXLCWPRKYGFI-UHFFFAOYSA-N 1 2 330.417 0.474 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000977227243 744797796 /nfs/dbraw/zinc/79/77/96/744797796.db2.gz PSZYAZCKZKQWRV-NJURLYQPSA-N 1 2 330.388 0.116 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+]([C@H]3CCNC3=O)CC2(C)C)nn1 ZINC000977283932 744841596 /nfs/dbraw/zinc/84/15/96/744841596.db2.gz IYUGUZDTEHZBCU-UONOGXRCSA-N 1 2 346.435 0.183 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCNC3=O)CC2(C)C)nn1 ZINC000977283932 744841600 /nfs/dbraw/zinc/84/16/00/744841600.db2.gz IYUGUZDTEHZBCU-UONOGXRCSA-N 1 2 346.435 0.183 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001000016633 745186635 /nfs/dbraw/zinc/18/66/35/745186635.db2.gz FDFWXUJCVAMRAY-CABCVRRESA-N 1 2 346.431 0.845 20 30 ECEDLO CC#CCNCc1cn([C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)nn1 ZINC001098697627 745233970 /nfs/dbraw/zinc/23/39/70/745233970.db2.gz JUIUIZDYNCWZQQ-INIZCTEOSA-N 1 2 341.419 0.451 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3nonc3C)C(C)(C)C2)C1=O ZINC000977671772 745377779 /nfs/dbraw/zinc/37/77/79/745377779.db2.gz WCNQNAZQWSYNIV-OLZOCXBDSA-N 1 2 347.419 0.605 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3nonc3C)C(C)(C)C2)C1=O ZINC000977671772 745377782 /nfs/dbraw/zinc/37/77/82/745377782.db2.gz WCNQNAZQWSYNIV-OLZOCXBDSA-N 1 2 347.419 0.605 20 30 ECEDLO C[C@H](c1cnccn1)[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 ZINC001083414004 745528355 /nfs/dbraw/zinc/52/83/55/745528355.db2.gz HMKDMMYYCGTQNT-KMUNFCNLSA-N 1 2 326.360 0.212 20 30 ECEDLO C[C@H](c1cnccn1)[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 ZINC001083414004 745528357 /nfs/dbraw/zinc/52/83/57/745528357.db2.gz HMKDMMYYCGTQNT-KMUNFCNLSA-N 1 2 326.360 0.212 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)c2cnn(CCF)c2)C1=O ZINC001038440303 745589885 /nfs/dbraw/zinc/58/98/85/745589885.db2.gz CIRWPFJVKLQMHT-LSDHHAIUSA-N 1 2 349.410 0.444 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)c2cnn(CCF)c2)C1=O ZINC001038440303 745589894 /nfs/dbraw/zinc/58/98/94/745589894.db2.gz CIRWPFJVKLQMHT-LSDHHAIUSA-N 1 2 349.410 0.444 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1cn(C)nn1 ZINC001087535254 745820634 /nfs/dbraw/zinc/82/06/34/745820634.db2.gz ZPIQOIIQVPWJSO-DZGCQCFKSA-N 1 2 327.392 0.798 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1Cc1cn(C)nn1 ZINC001087535254 745820637 /nfs/dbraw/zinc/82/06/37/745820637.db2.gz ZPIQOIIQVPWJSO-DZGCQCFKSA-N 1 2 327.392 0.798 20 30 ECEDLO N#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C3)[nH]1 ZINC001000882087 745859278 /nfs/dbraw/zinc/85/92/78/745859278.db2.gz CTFFQJXJOAFOLI-SNPRPXQTSA-N 1 2 338.371 0.714 20 30 ECEDLO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCS2(=O)=O)[C@H]1CC ZINC001087600891 746111830 /nfs/dbraw/zinc/11/18/30/746111830.db2.gz QNHFUKVUHSFPNB-RRFJBIMHSA-N 1 2 326.462 0.946 20 30 ECEDLO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCS2(=O)=O)[C@H]1CC ZINC001087600891 746111834 /nfs/dbraw/zinc/11/18/34/746111834.db2.gz QNHFUKVUHSFPNB-RRFJBIMHSA-N 1 2 326.462 0.946 20 30 ECEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001001146179 746112220 /nfs/dbraw/zinc/11/22/20/746112220.db2.gz XHFGXMVHGYYYLB-QWHCGFSZSA-N 1 2 327.812 0.520 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001001146179 746112224 /nfs/dbraw/zinc/11/22/24/746112224.db2.gz XHFGXMVHGYYYLB-QWHCGFSZSA-N 1 2 327.812 0.520 20 30 ECEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001001264328 746225157 /nfs/dbraw/zinc/22/51/57/746225157.db2.gz SGCVAOYKERPUMF-UHFFFAOYSA-N 1 2 325.796 0.540 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC001001264328 746225160 /nfs/dbraw/zinc/22/51/60/746225160.db2.gz SGCVAOYKERPUMF-UHFFFAOYSA-N 1 2 325.796 0.540 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn[nH]n3)[C@@H]2C1 ZINC000978369771 746232556 /nfs/dbraw/zinc/23/25/56/746232556.db2.gz CRMMGZIKZIPHCC-QKDCVEJESA-N 1 2 340.362 0.923 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn[nH]n3)[C@@H]2C1 ZINC000978369771 746232561 /nfs/dbraw/zinc/23/25/61/746232561.db2.gz CRMMGZIKZIPHCC-QKDCVEJESA-N 1 2 340.362 0.923 20 30 ECEDLO Cn1nnnc1C[NH+]1CCC(CNC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001001328052 746281942 /nfs/dbraw/zinc/28/19/42/746281942.db2.gz NWLLCEQUMZFGNE-UHFFFAOYSA-N 1 2 328.380 0.052 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)CN2CCOCC2)C1 ZINC001007115924 752101567 /nfs/dbraw/zinc/10/15/67/752101567.db2.gz GVWIKVVJOCMALN-SFHVURJKSA-N 1 2 342.443 0.971 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)CN2CCOCC2)C1 ZINC001007115924 752101572 /nfs/dbraw/zinc/10/15/72/752101572.db2.gz GVWIKVVJOCMALN-SFHVURJKSA-N 1 2 342.443 0.971 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000984566555 746637216 /nfs/dbraw/zinc/63/72/16/746637216.db2.gz JJZYTTAOBCVKCC-ZDUSSCGKSA-N 1 2 340.387 0.915 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](Cc2cnn(C)n2)CC1 ZINC001001840978 746762805 /nfs/dbraw/zinc/76/28/05/746762805.db2.gz ADLPCEMKWOENFW-CVEARBPZSA-N 1 2 333.436 0.734 20 30 ECEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3coc(S(C)(=O)=O)c3)C[C@@H]2C1 ZINC001087972308 746770585 /nfs/dbraw/zinc/77/05/85/746770585.db2.gz WFNLFPBONWXZDZ-OCCSQVGLSA-N 1 2 336.413 0.710 20 30 ECEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3coc(S(C)(=O)=O)c3)C[C@@H]2C1 ZINC001087972308 746770586 /nfs/dbraw/zinc/77/05/86/746770586.db2.gz WFNLFPBONWXZDZ-OCCSQVGLSA-N 1 2 336.413 0.710 20 30 ECEDLO C=CCCn1cc(C(=O)NCC2CC[NH+](Cc3cnon3)CC2)nn1 ZINC001001919788 746807912 /nfs/dbraw/zinc/80/79/12/746807912.db2.gz DCZBTHWWMSKEBN-UHFFFAOYSA-N 1 2 345.407 0.879 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)/C(C)=C\CC)[C@H](OC)C2)C1=O ZINC001211967606 752133141 /nfs/dbraw/zinc/13/31/41/752133141.db2.gz NSUYWDYPBVXZIE-JXQAROLSSA-N 1 2 335.448 0.945 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)/C(C)=C\CC)[C@H](OC)C2)C1=O ZINC001211967606 752133145 /nfs/dbraw/zinc/13/31/45/752133145.db2.gz NSUYWDYPBVXZIE-JXQAROLSSA-N 1 2 335.448 0.945 20 30 ECEDLO C[C@@H](c1nncn1C)[NH+]1CCC(NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001002552087 747503912 /nfs/dbraw/zinc/50/39/12/747503912.db2.gz UITJGMOGCIVCII-NSHDSACASA-N 1 2 327.392 0.970 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccnn3C)C2)nn1 ZINC001098629494 747583184 /nfs/dbraw/zinc/58/31/84/747583184.db2.gz KPZMQYLGMAIHDC-CQSZACIVSA-N 1 2 327.392 0.212 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)c3c(C)noc3C)C2)nn1 ZINC001105342596 747588735 /nfs/dbraw/zinc/58/87/35/747588735.db2.gz MHRWNFBKYKSTHL-NSHDSACASA-N 1 2 342.403 0.793 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)[nH]1 ZINC000979657826 748170413 /nfs/dbraw/zinc/17/04/13/748170413.db2.gz OLVUHZROHQEOTK-AULYBMBSSA-N 1 2 326.360 0.408 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001059554143 748302285 /nfs/dbraw/zinc/30/22/85/748302285.db2.gz CEMPUZFXOSBWQC-SUMWQHHRSA-N 1 2 334.420 0.634 20 30 ECEDLO O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]12 ZINC000979819530 748503052 /nfs/dbraw/zinc/50/30/52/748503052.db2.gz JVAONYSOCLZDIO-FVQBIDKESA-N 1 2 326.400 0.719 20 30 ECEDLO Cn1nnc(C[NH2+][C@@H]2CCCCCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001088290587 748530530 /nfs/dbraw/zinc/53/05/30/748530530.db2.gz NWNPVQVZKRMVLR-CYBMUJFWSA-N 1 2 342.407 0.584 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](CC)OCC)C2)nn1 ZINC001098630594 748546071 /nfs/dbraw/zinc/54/60/71/748546071.db2.gz TYYCJNHAUKSXMM-HZPDHXFCSA-N 1 2 333.436 0.980 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC([N@@H+](C)Cc3nnnn3C)CC2)cc1 ZINC000985570005 748555717 /nfs/dbraw/zinc/55/57/17/748555717.db2.gz RGRBRWGKSYQGKS-UHFFFAOYSA-N 1 2 338.415 0.928 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC([N@H+](C)Cc3nnnn3C)CC2)cc1 ZINC000985570005 748555725 /nfs/dbraw/zinc/55/57/25/748555725.db2.gz RGRBRWGKSYQGKS-UHFFFAOYSA-N 1 2 338.415 0.928 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)[C@H]1C ZINC001088602062 752289310 /nfs/dbraw/zinc/28/93/10/752289310.db2.gz VJGFJFCSMMXGHM-RDBSUJKOSA-N 1 2 343.855 0.813 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)[C@H]1C ZINC001088602062 752289314 /nfs/dbraw/zinc/28/93/14/752289314.db2.gz VJGFJFCSMMXGHM-RDBSUJKOSA-N 1 2 343.855 0.813 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3nncs3)C2)nn1 ZINC001029859317 748950185 /nfs/dbraw/zinc/95/01/85/748950185.db2.gz AXGDUSCZSSBUJT-LBPRGKRZSA-N 1 2 347.448 0.910 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3nncs3)C2)nn1 ZINC001029859317 748950191 /nfs/dbraw/zinc/95/01/91/748950191.db2.gz AXGDUSCZSSBUJT-LBPRGKRZSA-N 1 2 347.448 0.910 20 30 ECEDLO Cc1nsc(NC[C@@H](O)CNC(=O)CCc2[nH]cc[nH+]2)c1C#N ZINC001105804080 761915616 /nfs/dbraw/zinc/91/56/16/761915616.db2.gz KCCVJMPXLFYJEE-JTQLQIEISA-N 1 2 334.405 0.568 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001059648406 749114610 /nfs/dbraw/zinc/11/46/10/749114610.db2.gz RLSKTVHJCMSSJL-CABCVRRESA-N 1 2 346.431 0.735 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001059648406 749114615 /nfs/dbraw/zinc/11/46/15/749114615.db2.gz RLSKTVHJCMSSJL-CABCVRRESA-N 1 2 346.431 0.735 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3cncs3)CC2)CC1 ZINC000985822613 749171061 /nfs/dbraw/zinc/17/10/61/749171061.db2.gz KYEHACSUDFBGLE-UHFFFAOYSA-N 1 2 349.460 0.825 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)C(C)(F)F)CC2)CC1 ZINC000985823221 749174096 /nfs/dbraw/zinc/17/40/96/749174096.db2.gz UELSDYRZEDMIFI-UHFFFAOYSA-N 1 2 330.379 0.709 20 30 ECEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCN2C(=O)CCC2=O)CC1 ZINC001004476173 749545660 /nfs/dbraw/zinc/54/56/60/749545660.db2.gz KBNMQYVIRKWPMY-OAHLLOKOSA-N 1 2 346.431 0.752 20 30 ECEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCN2C(=O)CCC2=O)CC1 ZINC001004476173 749545662 /nfs/dbraw/zinc/54/56/62/749545662.db2.gz KBNMQYVIRKWPMY-OAHLLOKOSA-N 1 2 346.431 0.752 20 30 ECEDLO CCN1CCOC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004475934 749545856 /nfs/dbraw/zinc/54/58/56/749545856.db2.gz AJGFJCPDQCPJRS-SJORKVTESA-N 1 2 334.464 0.934 20 30 ECEDLO CCN1CCOC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004475934 749545863 /nfs/dbraw/zinc/54/58/63/749545863.db2.gz AJGFJCPDQCPJRS-SJORKVTESA-N 1 2 334.464 0.934 20 30 ECEDLO Cn1c(=O)[nH]cc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)c1=O ZINC001004508099 749580708 /nfs/dbraw/zinc/58/07/08/749580708.db2.gz QYPNKBSMBTZOHY-AWEZNQCLSA-N 1 2 345.403 0.326 20 30 ECEDLO Cn1c(=O)[nH]cc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)c1=O ZINC001004508099 749580712 /nfs/dbraw/zinc/58/07/12/749580712.db2.gz QYPNKBSMBTZOHY-AWEZNQCLSA-N 1 2 345.403 0.326 20 30 ECEDLO C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CCN(c2ccnc(C#N)n2)CC1 ZINC001126638776 749679442 /nfs/dbraw/zinc/67/94/42/749679442.db2.gz BJGHRQDWHOKPII-CYBMUJFWSA-N 1 2 339.403 0.966 20 30 ECEDLO CC(=O)N1CCOC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004622616 749700206 /nfs/dbraw/zinc/70/02/06/749700206.db2.gz XPLVFXFXOMBUDB-IAGOWNOFSA-N 1 2 348.447 0.460 20 30 ECEDLO CC(=O)N1CCOC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004622616 749700207 /nfs/dbraw/zinc/70/02/07/749700207.db2.gz XPLVFXFXOMBUDB-IAGOWNOFSA-N 1 2 348.447 0.460 20 30 ECEDLO C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001004725098 749782952 /nfs/dbraw/zinc/78/29/52/749782952.db2.gz JVOMKFLXUPAAFT-DOMZBBRYSA-N 1 2 340.387 0.750 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000980581572 749828179 /nfs/dbraw/zinc/82/81/79/749828179.db2.gz VKCPLENKDCZQSM-TUVASFSCSA-N 1 2 332.404 0.485 20 30 ECEDLO C[C@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCCCN1C(=O)c1c[nH]c(C#N)c1 ZINC001004808218 749893092 /nfs/dbraw/zinc/89/30/92/749893092.db2.gz JQDFQMMHPHPQGU-SMDDNHRTSA-N 1 2 342.407 0.583 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1 ZINC001004810529 749897244 /nfs/dbraw/zinc/89/72/44/749897244.db2.gz VNLFOXRDJNDSFQ-BMFZPTHFSA-N 1 2 326.400 0.922 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3cnn(C)c3C)CC2)C1=O ZINC000980711239 750002402 /nfs/dbraw/zinc/00/24/02/750002402.db2.gz BUVCTPQVGWCOKM-INIZCTEOSA-N 1 2 345.447 0.663 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3cnn(C)c3C)CC2)C1=O ZINC000980711239 750002410 /nfs/dbraw/zinc/00/24/10/750002410.db2.gz BUVCTPQVGWCOKM-INIZCTEOSA-N 1 2 345.447 0.663 20 30 ECEDLO CN(CCN(C)c1ccc(C#N)cn1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001105433778 750079322 /nfs/dbraw/zinc/07/93/22/750079322.db2.gz BUPZBZPSGCYCOU-UHFFFAOYSA-N 1 2 345.447 0.959 20 30 ECEDLO C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001004992960 750113324 /nfs/dbraw/zinc/11/33/24/750113324.db2.gz RCCHQGATWFASLY-DOMZBBRYSA-N 1 2 340.387 0.750 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)C2CN(C(C)=O)C2)[C@H]1C ZINC001088541027 750447609 /nfs/dbraw/zinc/44/76/09/750447609.db2.gz HHGDPGVNNGLPNR-MFKMUULPSA-N 1 2 344.253 0.952 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)C2CN(C(C)=O)C2)[C@H]1C ZINC001088541027 750447612 /nfs/dbraw/zinc/44/76/12/750447612.db2.gz HHGDPGVNNGLPNR-MFKMUULPSA-N 1 2 344.253 0.952 20 30 ECEDLO Cn1nnc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(F)c(C#N)c2)n1 ZINC001028078640 750546493 /nfs/dbraw/zinc/54/64/93/750546493.db2.gz OJGHQCMNXXIWPS-ZDUSSCGKSA-N 1 2 343.366 0.615 20 30 ECEDLO Cn1nnc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(F)c(C#N)c2)n1 ZINC001028078640 750546501 /nfs/dbraw/zinc/54/65/01/750546501.db2.gz OJGHQCMNXXIWPS-ZDUSSCGKSA-N 1 2 343.366 0.615 20 30 ECEDLO C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H]1C ZINC000987188285 750570896 /nfs/dbraw/zinc/57/08/96/750570896.db2.gz IBSUNXYHJGEVRV-DGCLKSJQSA-N 1 2 330.392 0.226 20 30 ECEDLO COCCN(CCNC(=O)CCc1[nH]cc[nH+]1)c1ccnc(C#N)n1 ZINC001126308554 750572484 /nfs/dbraw/zinc/57/24/84/750572484.db2.gz WGSQTUNMDJAYKP-UHFFFAOYSA-N 1 2 343.391 0.273 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCO[C@H](CC)C3)C2)nn1 ZINC001105357677 750944820 /nfs/dbraw/zinc/94/48/20/750944820.db2.gz JLBZNDIOKWNLRU-XJKSGUPXSA-N 1 2 331.420 0.589 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001006167627 751084961 /nfs/dbraw/zinc/08/49/61/751084961.db2.gz UQDSUJIVIBVPTF-PVUWLOKVSA-N 1 2 346.431 0.897 20 30 ECEDLO Cn1nnc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)c(F)c3)CC2)n1 ZINC000981778197 751090184 /nfs/dbraw/zinc/09/01/84/751090184.db2.gz AOEUAVPXAVKASS-UHFFFAOYSA-N 1 2 343.366 0.569 20 30 ECEDLO Cn1nnc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)CC2)n1 ZINC000981778197 751090188 /nfs/dbraw/zinc/09/01/88/751090188.db2.gz AOEUAVPXAVKASS-UHFFFAOYSA-N 1 2 343.366 0.569 20 30 ECEDLO Cc1cnc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)cn1 ZINC001083320618 751128604 /nfs/dbraw/zinc/12/86/04/751128604.db2.gz VKFXUOVBMOUESB-SJORKVTESA-N 1 2 337.383 0.632 20 30 ECEDLO Cc1cnc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)cn1 ZINC001083320618 751128605 /nfs/dbraw/zinc/12/86/05/751128605.db2.gz VKFXUOVBMOUESB-SJORKVTESA-N 1 2 337.383 0.632 20 30 ECEDLO O=C([C@@H]1CNC(=O)N1)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000981850390 751189212 /nfs/dbraw/zinc/18/92/12/751189212.db2.gz GORLPWQECWUDOW-INIZCTEOSA-N 1 2 326.400 0.254 20 30 ECEDLO O=C([C@@H]1CNC(=O)N1)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000981850390 751189217 /nfs/dbraw/zinc/18/92/17/751189217.db2.gz GORLPWQECWUDOW-INIZCTEOSA-N 1 2 326.400 0.254 20 30 ECEDLO C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CN(C(=O)C#CC2CC2)C1 ZINC001006323202 751244860 /nfs/dbraw/zinc/24/48/60/751244860.db2.gz ZYFSGIQXQXUGOF-HIFRSBDPSA-N 1 2 340.427 0.822 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC2=CCCCC2)[C@H](OC)C1 ZINC001212022352 752415389 /nfs/dbraw/zinc/41/53/89/752415389.db2.gz MUXZUZZHMBSTOX-DJIMGWMZSA-N 1 2 347.459 0.830 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC2=CCCCC2)[C@H](OC)C1 ZINC001212022352 752415395 /nfs/dbraw/zinc/41/53/95/752415395.db2.gz MUXZUZZHMBSTOX-DJIMGWMZSA-N 1 2 347.459 0.830 20 30 ECEDLO C#CCNC(=O)CC(=O)N(C)CCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC001105368126 752468368 /nfs/dbraw/zinc/46/83/68/752468368.db2.gz CXQVIGKPERVWME-UHFFFAOYSA-N 1 2 343.431 0.697 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)/C=C/C2CC2)[C@H](OC)C1 ZINC001212090131 752712109 /nfs/dbraw/zinc/71/21/09/752712109.db2.gz NCCPXPQJMLBFIS-PIIXRYACSA-N 1 2 347.459 0.969 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)/C=C/C2CC2)[C@H](OC)C1 ZINC001212090131 752712115 /nfs/dbraw/zinc/71/21/15/752712115.db2.gz NCCPXPQJMLBFIS-PIIXRYACSA-N 1 2 347.459 0.969 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCc2ccoc2)[C@H](OC)C1 ZINC001212097182 752721835 /nfs/dbraw/zinc/72/18/35/752721835.db2.gz OXIVHKVVONKHQT-FVQBIDKESA-N 1 2 349.431 0.718 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2ccoc2)[C@H](OC)C1 ZINC001212097182 752721837 /nfs/dbraw/zinc/72/18/37/752721837.db2.gz OXIVHKVVONKHQT-FVQBIDKESA-N 1 2 349.431 0.718 20 30 ECEDLO O=C(C#CC1CC1)N1CCO[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001007674261 752763078 /nfs/dbraw/zinc/76/30/78/752763078.db2.gz QUAZOQKUZZOMSM-GOSISDBHSA-N 1 2 342.399 0.126 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cc[nH+]c1)CCO2 ZINC001007686865 752790891 /nfs/dbraw/zinc/79/08/91/752790891.db2.gz ZOFJDKRVPWRTFY-SFHVURJKSA-N 1 2 346.431 0.925 20 30 ECEDLO N#Cc1cnccc1N[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001058995456 752795267 /nfs/dbraw/zinc/79/52/67/752795267.db2.gz GZSKKFBJKZAKLU-HIFRSBDPSA-N 1 2 336.399 0.847 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001007698234 752810293 /nfs/dbraw/zinc/81/02/93/752810293.db2.gz ZNGWTDMOZYFLSI-CYBMUJFWSA-N 1 2 328.844 0.094 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001007698234 752810295 /nfs/dbraw/zinc/81/02/95/752810295.db2.gz ZNGWTDMOZYFLSI-CYBMUJFWSA-N 1 2 328.844 0.094 20 30 ECEDLO CN(C)c1noc(C[N@@H+]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001028488725 752824045 /nfs/dbraw/zinc/82/40/45/752824045.db2.gz FZXIJJSNFWDONU-LLVKDONJSA-N 1 2 343.391 0.587 20 30 ECEDLO CN(C)c1noc(C[N@H+]2CC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001028488725 752824053 /nfs/dbraw/zinc/82/40/53/752824053.db2.gz FZXIJJSNFWDONU-LLVKDONJSA-N 1 2 343.391 0.587 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccccc3OC)C2)nn1 ZINC001105369902 753052584 /nfs/dbraw/zinc/05/25/84/753052584.db2.gz PZJKWRNDMQRKJX-UHFFFAOYSA-N 1 2 339.399 0.636 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1nc(CC(F)(F)F)no1 ZINC001126378826 753081410 /nfs/dbraw/zinc/08/14/10/753081410.db2.gz TVURQYQQZKZUMC-LBPRGKRZSA-N 1 2 336.314 0.707 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ncnn2C)C1 ZINC001028549652 753112283 /nfs/dbraw/zinc/11/22/83/753112283.db2.gz UKMCKUAPINAOTO-KFWWJZLASA-N 1 2 333.436 0.734 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ncnn2C)C1 ZINC001028549652 753112287 /nfs/dbraw/zinc/11/22/87/753112287.db2.gz UKMCKUAPINAOTO-KFWWJZLASA-N 1 2 333.436 0.734 20 30 ECEDLO CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001008057028 753249759 /nfs/dbraw/zinc/24/97/59/753249759.db2.gz DWHHQCSGGFKNFQ-AWEZNQCLSA-N 1 2 340.387 0.750 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3coc(OC)n3)C2)C1=O ZINC001008070912 753272051 /nfs/dbraw/zinc/27/20/51/753272051.db2.gz RGKCFSZFBJKHLS-OCCSQVGLSA-N 1 2 348.403 0.664 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3coc(OC)n3)C2)C1=O ZINC001008070912 753272055 /nfs/dbraw/zinc/27/20/55/753272055.db2.gz RGKCFSZFBJKHLS-OCCSQVGLSA-N 1 2 348.403 0.664 20 30 ECEDLO CC1(C)CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001008285527 753549309 /nfs/dbraw/zinc/54/93/09/753549309.db2.gz UWNNGSBCVIYRIF-CQSZACIVSA-N 1 2 340.387 0.750 20 30 ECEDLO CC1(C)CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001008293903 753559801 /nfs/dbraw/zinc/55/98/01/753559801.db2.gz VVQXUWSDVOAIPC-CQSZACIVSA-N 1 2 340.387 0.750 20 30 ECEDLO C/C=C(\C)C(=O)N1CC[C@H](n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001098648671 753596674 /nfs/dbraw/zinc/59/66/74/753596674.db2.gz CHMVWZYDSMOOCT-RHHKORPBSA-N 1 2 331.420 0.757 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](NC(=O)c3ccc[nH]3)[C@@H](O)C2)cc1C#N ZINC001083336867 753601012 /nfs/dbraw/zinc/60/10/12/753601012.db2.gz QKEJQLRXXYGITB-CVEARBPZSA-N 1 2 340.383 0.870 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3ccc[nH]3)[C@@H](O)C2)cc1C#N ZINC001083336867 753601014 /nfs/dbraw/zinc/60/10/14/753601014.db2.gz QKEJQLRXXYGITB-CVEARBPZSA-N 1 2 340.383 0.870 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)c3cnsn3)[C@@H](O)C2)c1 ZINC001083348633 753629851 /nfs/dbraw/zinc/62/98/51/753629851.db2.gz SBCQDWOSCBTMCX-KGLIPLIRSA-N 1 2 329.385 0.385 20 30 ECEDLO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)c3cnsn3)[C@@H](O)C2)c1 ZINC001083348633 753629856 /nfs/dbraw/zinc/62/98/56/753629856.db2.gz SBCQDWOSCBTMCX-KGLIPLIRSA-N 1 2 329.385 0.385 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c(F)c1 ZINC001008369831 753666007 /nfs/dbraw/zinc/66/60/07/753666007.db2.gz DOOBIENEWGLPOO-ZFWWWQNUSA-N 1 2 345.378 0.459 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c(F)c1 ZINC001008369831 753666014 /nfs/dbraw/zinc/66/60/14/753666014.db2.gz DOOBIENEWGLPOO-ZFWWWQNUSA-N 1 2 345.378 0.459 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccnc3N(C)C)C2)nn1 ZINC001105372346 753673948 /nfs/dbraw/zinc/67/39/48/753673948.db2.gz BAZWJDIZWORJON-UHFFFAOYSA-N 1 2 339.403 0.159 20 30 ECEDLO CN(CCN(C)c1nccnc1C#N)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001105493885 753738780 /nfs/dbraw/zinc/73/87/80/753738780.db2.gz POQADFKYRFXCHD-ZDUSSCGKSA-N 1 2 339.403 0.702 20 30 ECEDLO Cc1ncoc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083388078 753767322 /nfs/dbraw/zinc/76/73/22/753767322.db2.gz FEVKVVYAXAMNMY-CABCVRRESA-N 1 2 326.356 0.830 20 30 ECEDLO Cc1ncoc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083388078 753767323 /nfs/dbraw/zinc/76/73/23/753767323.db2.gz FEVKVVYAXAMNMY-CABCVRRESA-N 1 2 326.356 0.830 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)c1 ZINC001008470745 753774188 /nfs/dbraw/zinc/77/41/88/753774188.db2.gz WPQHJISCRDSPSB-QGZVFWFLSA-N 1 2 340.427 0.880 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)c1 ZINC001008470745 753774193 /nfs/dbraw/zinc/77/41/93/753774193.db2.gz WPQHJISCRDSPSB-QGZVFWFLSA-N 1 2 340.427 0.880 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC001008512266 753839175 /nfs/dbraw/zinc/83/91/75/753839175.db2.gz LCLBMYCQARBLOI-HZSPNIEDSA-N 1 2 346.431 0.897 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c1 ZINC001008562430 753916468 /nfs/dbraw/zinc/91/64/68/753916468.db2.gz ZUBTVGVVDPQFKC-KFWWJZLASA-N 1 2 344.390 0.899 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c1 ZINC001008562430 753916474 /nfs/dbraw/zinc/91/64/74/753916474.db2.gz ZUBTVGVVDPQFKC-KFWWJZLASA-N 1 2 344.390 0.899 20 30 ECEDLO CC1(C)CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001008653189 753994421 /nfs/dbraw/zinc/99/44/21/753994421.db2.gz XOCZQSIDNHVBSG-AWEZNQCLSA-N 1 2 340.387 0.819 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3nnc(C)o3)C[C@@H]2C)nn1 ZINC000989535565 754079405 /nfs/dbraw/zinc/07/94/05/754079405.db2.gz CAHVWNBNJJRIHC-JQWIXIFHSA-N 1 2 331.380 0.548 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3cnsn3)C[C@@H]2C)nn1 ZINC000989537126 754080945 /nfs/dbraw/zinc/08/09/45/754080945.db2.gz RPXYCQVKNFGLLD-QWRGUYRKSA-N 1 2 333.421 0.708 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001008834424 754176879 /nfs/dbraw/zinc/17/68/79/754176879.db2.gz RMTFVSKSJXBODU-IVZWLZJFSA-N 1 2 343.309 0.617 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001009190403 754633052 /nfs/dbraw/zinc/63/30/52/754633052.db2.gz RKVRSLWVBTWNJF-NSHDSACASA-N 1 2 328.800 0.214 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001009190403 754633056 /nfs/dbraw/zinc/63/30/56/754633056.db2.gz RKVRSLWVBTWNJF-NSHDSACASA-N 1 2 328.800 0.214 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)nc1 ZINC001009267000 754723901 /nfs/dbraw/zinc/72/39/01/754723901.db2.gz BUOKGVCHZKQIHX-UKRRQHHQSA-N 1 2 340.383 0.062 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)nc1 ZINC001009267000 754723903 /nfs/dbraw/zinc/72/39/03/754723903.db2.gz BUOKGVCHZKQIHX-UKRRQHHQSA-N 1 2 340.383 0.062 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@H](C)C(=O)NC3CC3)C2)nc1 ZINC001009268457 754724651 /nfs/dbraw/zinc/72/46/51/754724651.db2.gz JGEGLDHRJZEXNV-CZUORRHYSA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)C(=O)NC3CC3)C2)nc1 ZINC001009268457 754724653 /nfs/dbraw/zinc/72/46/53/754724653.db2.gz JGEGLDHRJZEXNV-CZUORRHYSA-N 1 2 340.427 0.924 20 30 ECEDLO CCc1noc(C[NH2+]C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)n1 ZINC001051554239 762329147 /nfs/dbraw/zinc/32/91/47/762329147.db2.gz BPITVPRRXNSLPS-LBPRGKRZSA-N 1 2 344.375 0.463 20 30 ECEDLO Cc1noc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)n1 ZINC001051562958 762344893 /nfs/dbraw/zinc/34/48/93/762344893.db2.gz MGAKOMBVSVQOAU-IINYFYTJSA-N 1 2 344.375 0.770 20 30 ECEDLO CCc1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)o1 ZINC001051564062 762348165 /nfs/dbraw/zinc/34/81/65/762348165.db2.gz XBVMRNFSWFIYNR-CYBMUJFWSA-N 1 2 344.375 0.463 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001009526184 754978279 /nfs/dbraw/zinc/97/82/79/754978279.db2.gz KTWOCPYDHPCGNT-SUJAAXHWSA-N 1 2 344.415 0.364 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](CNC(=O)c3[nH]ncc3F)C2)C1=O ZINC001028783815 755117091 /nfs/dbraw/zinc/11/70/91/755117091.db2.gz HBNWUFRJFMAEGR-WCQYABFASA-N 1 2 335.383 0.387 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)c3[nH]ncc3F)C2)C1=O ZINC001028783815 755117097 /nfs/dbraw/zinc/11/70/97/755117097.db2.gz HBNWUFRJFMAEGR-WCQYABFASA-N 1 2 335.383 0.387 20 30 ECEDLO N#Cc1cnc(NC[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001060038944 755266298 /nfs/dbraw/zinc/26/62/98/755266298.db2.gz NPKLCAOWEVZZNA-ZDUSSCGKSA-N 1 2 325.376 0.895 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3ncccn3)C2)nn1 ZINC001028851124 755307786 /nfs/dbraw/zinc/30/77/86/755307786.db2.gz GLGBFGVOXQPFFY-ZDUSSCGKSA-N 1 2 327.392 0.506 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ncccn3)C2)nn1 ZINC001028851124 755307792 /nfs/dbraw/zinc/30/77/92/755307792.db2.gz GLGBFGVOXQPFFY-ZDUSSCGKSA-N 1 2 327.392 0.506 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3nnc(CC)o3)C2)nn1 ZINC001028852284 755309927 /nfs/dbraw/zinc/30/99/27/755309927.db2.gz IERGRDFFBMKGQB-LBPRGKRZSA-N 1 2 345.407 0.661 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3nnc(CC)o3)C2)nn1 ZINC001028852284 755309930 /nfs/dbraw/zinc/30/99/30/755309930.db2.gz IERGRDFFBMKGQB-LBPRGKRZSA-N 1 2 345.407 0.661 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088800713 755735633 /nfs/dbraw/zinc/73/56/33/755735633.db2.gz PLNLDKNFJHGYGL-YGRLFVJLSA-N 1 2 343.366 0.614 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088800713 755735638 /nfs/dbraw/zinc/73/56/38/755735638.db2.gz PLNLDKNFJHGYGL-YGRLFVJLSA-N 1 2 343.366 0.614 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C3(F)CCOCC3)[C@@H](O)C2)cc1 ZINC001083512864 755818282 /nfs/dbraw/zinc/81/82/82/755818282.db2.gz HZNOIUJSGHXWET-CVEARBPZSA-N 1 2 347.390 0.738 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C3(F)CCOCC3)[C@@H](O)C2)cc1 ZINC001083512864 755818289 /nfs/dbraw/zinc/81/82/89/755818289.db2.gz HZNOIUJSGHXWET-CVEARBPZSA-N 1 2 347.390 0.738 20 30 ECEDLO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3COCCO3)C2)ccc1F ZINC001010249988 755882082 /nfs/dbraw/zinc/88/20/82/755882082.db2.gz DPLAWOBIVCUKHJ-HOCLYGCPSA-N 1 2 333.363 0.803 20 30 ECEDLO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3COCCO3)C2)ccc1F ZINC001010249988 755882091 /nfs/dbraw/zinc/88/20/91/755882091.db2.gz DPLAWOBIVCUKHJ-HOCLYGCPSA-N 1 2 333.363 0.803 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3COCCO3)C2)c1 ZINC001010255081 755890985 /nfs/dbraw/zinc/89/09/85/755890985.db2.gz NGLNARLODFOVJF-ZBFHGGJFSA-N 1 2 333.363 0.803 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3COCCO3)C2)c1 ZINC001010255081 755890989 /nfs/dbraw/zinc/89/09/89/755890989.db2.gz NGLNARLODFOVJF-ZBFHGGJFSA-N 1 2 333.363 0.803 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnc(C)s2)C[C@@H]1O ZINC001083535138 755974518 /nfs/dbraw/zinc/97/45/18/755974518.db2.gz BTJIYELRCGUBFF-PMPSAXMXSA-N 1 2 348.472 0.210 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnc(C)s2)C[C@@H]1O ZINC001083535138 755974520 /nfs/dbraw/zinc/97/45/20/755974520.db2.gz BTJIYELRCGUBFF-PMPSAXMXSA-N 1 2 348.472 0.210 20 30 ECEDLO N#Cc1ccc(NC[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC001060094002 756007440 /nfs/dbraw/zinc/00/74/40/756007440.db2.gz UQSZAZFIJZYGTG-LBPRGKRZSA-N 1 2 325.376 0.965 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3ncoc3CC)C2)C1=O ZINC001010402817 756085792 /nfs/dbraw/zinc/08/57/92/756085792.db2.gz BYOBHFLHJNAXDH-CHWSQXEVSA-N 1 2 332.404 0.828 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3ncoc3CC)C2)C1=O ZINC001010402817 756085800 /nfs/dbraw/zinc/08/58/00/756085800.db2.gz BYOBHFLHJNAXDH-CHWSQXEVSA-N 1 2 332.404 0.828 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3oc(C)nc3C)C2)C1=O ZINC001010434170 756133529 /nfs/dbraw/zinc/13/35/29/756133529.db2.gz YNIYDHXUEYRJKY-KGLIPLIRSA-N 1 2 332.404 0.882 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3oc(C)nc3C)C2)C1=O ZINC001010434170 756133531 /nfs/dbraw/zinc/13/35/31/756133531.db2.gz YNIYDHXUEYRJKY-KGLIPLIRSA-N 1 2 332.404 0.882 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)c(F)c1 ZINC001010547581 756227984 /nfs/dbraw/zinc/22/79/84/756227984.db2.gz UUKKPPOVMVEUKN-HIFRSBDPSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)c(F)c1 ZINC001010547581 756227986 /nfs/dbraw/zinc/22/79/86/756227986.db2.gz UUKKPPOVMVEUKN-HIFRSBDPSA-N 1 2 344.390 0.914 20 30 ECEDLO C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001076215674 756228132 /nfs/dbraw/zinc/22/81/32/756228132.db2.gz QFAMACHOGYHQAQ-NSHDSACASA-N 1 2 328.376 0.867 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001010694011 756407731 /nfs/dbraw/zinc/40/77/31/756407731.db2.gz ODBMWDRMXXPPAT-IAGOWNOFSA-N 1 2 328.416 0.579 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001010694011 756407734 /nfs/dbraw/zinc/40/77/34/756407734.db2.gz ODBMWDRMXXPPAT-IAGOWNOFSA-N 1 2 328.416 0.579 20 30 ECEDLO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001010757842 756487911 /nfs/dbraw/zinc/48/79/11/756487911.db2.gz FVGLEXBPYWJFJM-MRXNPFEDSA-N 1 2 344.390 0.866 20 30 ECEDLO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001010757842 756487914 /nfs/dbraw/zinc/48/79/14/756487914.db2.gz FVGLEXBPYWJFJM-MRXNPFEDSA-N 1 2 344.390 0.866 20 30 ECEDLO Cn1oc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)cc1=O ZINC001010775180 756506402 /nfs/dbraw/zinc/50/64/02/756506402.db2.gz WBLRUTFHLWPYTB-ZDUSSCGKSA-N 1 2 344.346 0.993 20 30 ECEDLO Cn1oc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)cc1=O ZINC001010775180 756506405 /nfs/dbraw/zinc/50/64/05/756506405.db2.gz WBLRUTFHLWPYTB-ZDUSSCGKSA-N 1 2 344.346 0.993 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cccc(F)c3)C2)C1=O ZINC001076703933 756891351 /nfs/dbraw/zinc/89/13/51/756891351.db2.gz OCFGKINGMVIDGW-BZUAXINKSA-N 1 2 347.390 0.388 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3cccc(F)c3)C2)C1=O ZINC001076703933 756891355 /nfs/dbraw/zinc/89/13/55/756891355.db2.gz OCFGKINGMVIDGW-BZUAXINKSA-N 1 2 347.390 0.388 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C3CC(OCC)C3)C2)nn1 ZINC001098666596 756945452 /nfs/dbraw/zinc/94/54/52/756945452.db2.gz BOAJOXKTDZNNRR-SIWZUTFBSA-N 1 2 331.420 0.589 20 30 ECEDLO Cc1c(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)cnn1C ZINC001076747788 756958087 /nfs/dbraw/zinc/95/80/87/756958087.db2.gz QSEXLYILPIIARO-QZTJIDSGSA-N 1 2 338.411 0.555 20 30 ECEDLO Cc1c(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)cnn1C ZINC001076747788 756958095 /nfs/dbraw/zinc/95/80/95/756958095.db2.gz QSEXLYILPIIARO-QZTJIDSGSA-N 1 2 338.411 0.555 20 30 ECEDLO CCCCn1nnnc1C[N@H+]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 ZINC001048813372 757077100 /nfs/dbraw/zinc/07/71/00/757077100.db2.gz PCFJKLHKVDFXKG-IYBDPMFKSA-N 1 2 342.447 0.777 20 30 ECEDLO CCCCn1nnnc1C[N@@H+]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 ZINC001048813372 757077109 /nfs/dbraw/zinc/07/71/09/757077109.db2.gz PCFJKLHKVDFXKG-IYBDPMFKSA-N 1 2 342.447 0.777 20 30 ECEDLO C#CCCCC(=O)N1CC[C@H](n2cc(C[NH2+]CC(=O)NCC)nn2)C1 ZINC001098666865 757153529 /nfs/dbraw/zinc/15/35/29/757153529.db2.gz JGTNEIZERREEDR-HNNXBMFYSA-N 1 2 346.435 0.081 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCOCC3CC3)nn2)C1 ZINC001107171006 757216427 /nfs/dbraw/zinc/21/64/27/757216427.db2.gz ICXYYWJABUTNAL-UHFFFAOYSA-N 1 2 331.420 0.591 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C[C@@H](C)c3cnn(C)c3)nn2)C1 ZINC001107186810 757387953 /nfs/dbraw/zinc/38/79/53/757387953.db2.gz CLEOLFQWRSPNPG-CYBMUJFWSA-N 1 2 343.435 0.864 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](OC)[C@@H](C)CC)nn2)C1 ZINC001107183852 757393762 /nfs/dbraw/zinc/39/37/62/757393762.db2.gz WEMMUCZBXMMPFE-XJKSGUPXSA-N 1 2 333.436 0.835 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)[nH]1 ZINC001021411229 757406083 /nfs/dbraw/zinc/40/60/83/757406083.db2.gz JBPONNCBDQLWGP-SMDDNHRTSA-N 1 2 338.371 0.525 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)[nH]1 ZINC001021414921 757408373 /nfs/dbraw/zinc/40/83/73/757408373.db2.gz HKCOSPOEEOTQQI-SWLSCSKDSA-N 1 2 338.371 0.456 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCCO3)C2)s1 ZINC001076885935 757467692 /nfs/dbraw/zinc/46/76/92/757467692.db2.gz SFFSRKIRRVFZBQ-KFWWJZLASA-N 1 2 335.429 0.850 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCCO3)C2)s1 ZINC001076885935 757467697 /nfs/dbraw/zinc/46/76/97/757467697.db2.gz SFFSRKIRRVFZBQ-KFWWJZLASA-N 1 2 335.429 0.850 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](CCC)OCC)nn2)C1 ZINC001107196827 757555124 /nfs/dbraw/zinc/55/51/24/757555124.db2.gz SNPAVKYQCCXAEV-INIZCTEOSA-N 1 2 333.436 0.980 20 30 ECEDLO CCn1nccc1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001076923678 757624282 /nfs/dbraw/zinc/62/42/82/757624282.db2.gz CIQTVUHUOAICFQ-SJLPKXTDSA-N 1 2 338.411 0.730 20 30 ECEDLO CCn1nccc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001076923678 757624285 /nfs/dbraw/zinc/62/42/85/757624285.db2.gz CIQTVUHUOAICFQ-SJLPKXTDSA-N 1 2 338.411 0.730 20 30 ECEDLO Cn1[nH]c(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C(=O)C#CC3CC3)C2)nc1=O ZINC001021583146 757639970 /nfs/dbraw/zinc/63/99/70/757639970.db2.gz FKWPGJFZHPRWFJ-GJZGRUSLSA-N 1 2 343.431 0.335 20 30 ECEDLO Cn1[nH]c(C[N@H+]2CC[C@H]3[C@@H](CCCN3C(=O)C#CC3CC3)C2)nc1=O ZINC001021583146 757639977 /nfs/dbraw/zinc/63/99/77/757639977.db2.gz FKWPGJFZHPRWFJ-GJZGRUSLSA-N 1 2 343.431 0.335 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001048999977 757649178 /nfs/dbraw/zinc/64/91/78/757649178.db2.gz HESLTUMCEYWVEX-KBPBESRZSA-N 1 2 334.420 0.585 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001048999977 757649186 /nfs/dbraw/zinc/64/91/86/757649186.db2.gz HESLTUMCEYWVEX-KBPBESRZSA-N 1 2 334.420 0.585 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C[C@@H]3CC[C@@H](C)O3)nn2)C1 ZINC001107205294 757659946 /nfs/dbraw/zinc/65/99/46/757659946.db2.gz SAGYBECPXUCEKS-CJNGLKHVSA-N 1 2 331.420 0.732 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)Oc3cccnc3)nn2)C1 ZINC001107207656 757737585 /nfs/dbraw/zinc/73/75/85/757737585.db2.gz ANSPMPRLUDJASE-CYBMUJFWSA-N 1 2 342.403 0.800 20 30 ECEDLO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3[nH+]ccn32)C1 ZINC001049070816 757876452 /nfs/dbraw/zinc/87/64/52/757876452.db2.gz PACBXUQFCIYUDY-GJZGRUSLSA-N 1 2 342.399 0.944 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C)[nH]n2)C1=O ZINC001032300499 757993242 /nfs/dbraw/zinc/99/32/42/757993242.db2.gz ZRGBFNKDJBMNCG-YDHLFZDLSA-N 1 2 329.404 0.404 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C)[nH]n2)C1=O ZINC001032300499 757993249 /nfs/dbraw/zinc/99/32/49/757993249.db2.gz ZRGBFNKDJBMNCG-YDHLFZDLSA-N 1 2 329.404 0.404 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@](C)(NC(C)=O)C(C)C)nn2)C1 ZINC001107241264 758043886 /nfs/dbraw/zinc/04/38/86/758043886.db2.gz QDINCZASJGXZEH-QGZVFWFLSA-N 1 2 348.451 0.488 20 30 ECEDLO CCc1nc(C#N)cc(NC/C=C/CNC(=O)Cn2cc[nH+]c2)n1 ZINC001107241293 758044559 /nfs/dbraw/zinc/04/45/59/758044559.db2.gz ZNKCFLUIDMBJNU-ONEGZZNKSA-N 1 2 325.376 0.892 20 30 ECEDLO COCCc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)no1 ZINC001021980929 758124496 /nfs/dbraw/zinc/12/44/96/758124496.db2.gz CCZAFNOIBRNQMN-TXEJJXNPSA-N 1 2 344.375 0.509 20 30 ECEDLO C=CC(C)(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001049153171 758145236 /nfs/dbraw/zinc/14/52/36/758145236.db2.gz SIKSWHDPEYCFOY-GJZGRUSLSA-N 1 2 348.447 0.893 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC/C=C\CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001107346183 758358448 /nfs/dbraw/zinc/35/84/48/758358448.db2.gz MQSFYNCMNNWUEL-KRZKBDHCSA-N 1 2 332.408 0.369 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1O ZINC001049268524 758461068 /nfs/dbraw/zinc/46/10/68/758461068.db2.gz OQCXVHPAHONXPQ-KCXAZCMYSA-N 1 2 348.447 0.893 20 30 ECEDLO C=C[C@H](CC)CC(=O)N(C)[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1O ZINC001049277023 758469370 /nfs/dbraw/zinc/46/93/70/758469370.db2.gz ZJRFBFYAZSIYCK-ILXRZTDVSA-N 1 2 348.447 0.975 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C(=O)C(C)(C)C)C1=O ZINC001032320261 758593475 /nfs/dbraw/zinc/59/34/75/758593475.db2.gz DOWLBQBJUUTCAL-MELADBBJSA-N 1 2 333.432 0.674 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C(=O)C(C)(C)C)C1=O ZINC001032320261 758593482 /nfs/dbraw/zinc/59/34/82/758593482.db2.gz DOWLBQBJUUTCAL-MELADBBJSA-N 1 2 333.432 0.674 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(=O)Nc1cnccn1 ZINC001049381183 758600822 /nfs/dbraw/zinc/60/08/22/758600822.db2.gz JJXFBVQDPNHEOL-RDBSUJKOSA-N 1 2 342.403 0.640 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(=O)Nc1cnccn1 ZINC001049381183 758600823 /nfs/dbraw/zinc/60/08/23/758600823.db2.gz JJXFBVQDPNHEOL-RDBSUJKOSA-N 1 2 342.403 0.640 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)c[nH+]1 ZINC001049409130 758645641 /nfs/dbraw/zinc/64/56/41/758645641.db2.gz YVJBDNUHGUDKFT-UBHSHLNASA-N 1 2 347.419 0.116 20 30 ECEDLO Cn1cc(C[N@@H+]2CC[C@H]3[C@H]2CCCN3C(=O)c2c[nH]c(C#N)c2)nn1 ZINC001049430094 758681403 /nfs/dbraw/zinc/68/14/03/758681403.db2.gz AAVHUBQRJYIJPL-CVEARBPZSA-N 1 2 339.403 0.894 20 30 ECEDLO Cn1cc(C[N@H+]2CC[C@H]3[C@H]2CCCN3C(=O)c2c[nH]c(C#N)c2)nn1 ZINC001049430094 758681404 /nfs/dbraw/zinc/68/14/04/758681404.db2.gz AAVHUBQRJYIJPL-CVEARBPZSA-N 1 2 339.403 0.894 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cn3ncnn3)C2)c(F)c1 ZINC001014430704 762669838 /nfs/dbraw/zinc/66/98/38/762669838.db2.gz SQFKXVNBGMEMQQ-CYBMUJFWSA-N 1 2 329.339 0.075 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)Cn3ncnn3)C2)c(F)c1 ZINC001014430704 762669846 /nfs/dbraw/zinc/66/98/46/762669846.db2.gz SQFKXVNBGMEMQQ-CYBMUJFWSA-N 1 2 329.339 0.075 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3ccc(F)cc3O2)C1 ZINC001077388063 758961059 /nfs/dbraw/zinc/96/10/59/758961059.db2.gz LCLVBKKDLVBWCZ-OAGGEKHMSA-N 1 2 332.375 0.704 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3ccc(F)cc3O2)C1 ZINC001077388063 758961062 /nfs/dbraw/zinc/96/10/62/758961062.db2.gz LCLVBKKDLVBWCZ-OAGGEKHMSA-N 1 2 332.375 0.704 20 30 ECEDLO COCCOCC[NH+]1CC(OC2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001105695369 759128105 /nfs/dbraw/zinc/12/81/05/759128105.db2.gz JHMAGYRLKNEKBT-AWEZNQCLSA-N 1 2 339.436 0.501 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)N1CCC(OC2C[NH+](CCO)C2)CC1 ZINC001105695698 759137408 /nfs/dbraw/zinc/13/74/08/759137408.db2.gz NBWGLBCIRSOXBF-AWEZNQCLSA-N 1 2 326.437 0.652 20 30 ECEDLO C=CCCO[C@H](C)C(=O)N1CCC(OC2C[NH+](CCO)C2)CC1 ZINC001105695699 759137537 /nfs/dbraw/zinc/13/75/37/759137537.db2.gz NBWGLBCIRSOXBF-CQSZACIVSA-N 1 2 326.437 0.652 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)cn1 ZINC001022841112 759162556 /nfs/dbraw/zinc/16/25/56/759162556.db2.gz BXZQUAUFQOZGKA-WMLDXEAASA-N 1 2 349.394 0.702 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCS(=O)(=O)C1 ZINC001049770501 759185502 /nfs/dbraw/zinc/18/55/02/759185502.db2.gz VGUNIZPWRPGMMW-ARFHVFGLSA-N 1 2 338.473 0.900 20 30 ECEDLO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCS(=O)(=O)C1 ZINC001049770501 759185505 /nfs/dbraw/zinc/18/55/05/759185505.db2.gz VGUNIZPWRPGMMW-ARFHVFGLSA-N 1 2 338.473 0.900 20 30 ECEDLO CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](OC)C1 ZINC001212130871 759207728 /nfs/dbraw/zinc/20/77/28/759207728.db2.gz FKTGGGPIJMVZCX-KCPJHIHWSA-N 1 2 347.419 0.230 20 30 ECEDLO CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](OC)C1 ZINC001212130871 759207737 /nfs/dbraw/zinc/20/77/37/759207737.db2.gz FKTGGGPIJMVZCX-KCPJHIHWSA-N 1 2 347.419 0.230 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C)c1 ZINC001012103541 759416478 /nfs/dbraw/zinc/41/64/78/759416478.db2.gz ZCMUBQQVMLYIRF-MLGOLLRUSA-N 1 2 337.383 0.748 20 30 ECEDLO CCCN(CCNC(=O)Cc1c[nH+]cn1C)c1nccnc1C#N ZINC001101163196 759754719 /nfs/dbraw/zinc/75/47/19/759754719.db2.gz BEWLNUZNBPLBGL-UHFFFAOYSA-N 1 2 327.392 0.657 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001050143897 759794646 /nfs/dbraw/zinc/79/46/46/759794646.db2.gz JJUUWAASXGEGFR-SVGFKBNWSA-N 1 2 345.447 0.829 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001050143897 759794659 /nfs/dbraw/zinc/79/46/59/759794659.db2.gz JJUUWAASXGEGFR-SVGFKBNWSA-N 1 2 345.447 0.829 20 30 ECEDLO C=CCOCCCC(=O)NCC[NH2+][C@@H](C)c1nc(COC)no1 ZINC001125252814 760020730 /nfs/dbraw/zinc/02/07/30/760020730.db2.gz ORYUVJRYXATBCM-LBPRGKRZSA-N 1 2 326.397 0.966 20 30 ECEDLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000945387881 760188924 /nfs/dbraw/zinc/18/89/24/760188924.db2.gz YCMBRLSHYNMCTK-TZMCWYRMSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001050490927 760353734 /nfs/dbraw/zinc/35/37/34/760353734.db2.gz MOTBCOGGHZCFRV-STQMWFEESA-N 1 2 340.387 0.750 20 30 ECEDLO Cn1nnnc1C[NH+]1CCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)CC1 ZINC001050493736 760361280 /nfs/dbraw/zinc/36/12/80/760361280.db2.gz ZYYFNBSNGLDBCS-UHFFFAOYSA-N 1 2 340.391 0.148 20 30 ECEDLO CN(C)c1noc(C[NH2+][C@H]2CN(C(=O)C#CC3CC3)CC2(C)C)n1 ZINC000995791516 760651704 /nfs/dbraw/zinc/65/17/04/760651704.db2.gz HZWYEJSSGXGIBW-ZDUSSCGKSA-N 1 2 331.420 0.876 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NCC[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC001060232942 760735981 /nfs/dbraw/zinc/73/59/81/760735981.db2.gz KNHJXNMCAFAUHC-LBPRGKRZSA-N 1 2 340.387 0.821 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C4CC4)nn3C)C[C@@H]2C1 ZINC001048725516 761048544 /nfs/dbraw/zinc/04/85/44/761048544.db2.gz SMGYEFPBQQOZRB-BNOWGMLFSA-N 1 2 328.420 0.742 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3nc(C4CC4)nn3C)C[C@@H]2C1 ZINC001048725516 761048552 /nfs/dbraw/zinc/04/85/52/761048552.db2.gz SMGYEFPBQQOZRB-BNOWGMLFSA-N 1 2 328.420 0.742 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C4CC4)n3C)C[C@@H]2C1 ZINC001048726613 761051479 /nfs/dbraw/zinc/05/14/79/761051479.db2.gz FZYBUFJFOOIDAP-BNOWGMLFSA-N 1 2 328.420 0.742 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C4CC4)n3C)C[C@@H]2C1 ZINC001048726613 761051487 /nfs/dbraw/zinc/05/14/87/761051487.db2.gz FZYBUFJFOOIDAP-BNOWGMLFSA-N 1 2 328.420 0.742 20 30 ECEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CNC(=O)C3CCC3)CC2)C1 ZINC001105734450 761410453 /nfs/dbraw/zinc/41/04/53/761410453.db2.gz RSNUNGGECTXNOC-UHFFFAOYSA-N 1 2 335.448 0.781 20 30 ECEDLO C#CCN1CC(OC2CCN(C(=O)CCCn3cc[nH+]c3)CC2)C1 ZINC001105735993 761419033 /nfs/dbraw/zinc/41/90/33/761419033.db2.gz HNFBKVGMEPZADQ-UHFFFAOYSA-N 1 2 330.432 0.988 20 30 ECEDLO C[C@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]cc[nH+]1 ZINC001054543784 768036672 /nfs/dbraw/zinc/03/66/72/768036672.db2.gz QYVANWNNQIPWOQ-YIYPIFLZSA-N 1 2 329.404 0.998 20 30 ECEDLO C=CCCO[C@H](C)C(=O)NC[C@@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001105737550 761426565 /nfs/dbraw/zinc/42/65/65/761426565.db2.gz HOLDKWWLDCNWPL-NEPJUHHUSA-N 1 2 348.407 0.234 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCc2cnn(C)c2C1 ZINC001051086874 761464707 /nfs/dbraw/zinc/46/47/07/761464707.db2.gz NXLAOYXHYMVNFL-HOCLYGCPSA-N 1 2 332.448 0.918 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCc2cnn(C)c2C1 ZINC001051086874 761464712 /nfs/dbraw/zinc/46/47/12/761464712.db2.gz NXLAOYXHYMVNFL-HOCLYGCPSA-N 1 2 332.448 0.918 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001051125487 761526588 /nfs/dbraw/zinc/52/65/88/761526588.db2.gz RWNFXJBTEFWVLF-ZIAGYGMSSA-N 1 2 334.424 0.019 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001051125487 761526591 /nfs/dbraw/zinc/52/65/91/761526591.db2.gz RWNFXJBTEFWVLF-ZIAGYGMSSA-N 1 2 334.424 0.019 20 30 ECEDLO CC#CCN1CCOC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001051205322 761684667 /nfs/dbraw/zinc/68/46/67/761684667.db2.gz DAAUUBFIEXLDQB-INIZCTEOSA-N 1 2 339.399 0.721 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1-n1cnnn1 ZINC001051238782 761738840 /nfs/dbraw/zinc/73/88/40/761738840.db2.gz XRZXKHPUGQWKAF-AWEZNQCLSA-N 1 2 342.403 0.669 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1-n1cnnn1 ZINC001051238782 761738844 /nfs/dbraw/zinc/73/88/44/761738844.db2.gz XRZXKHPUGQWKAF-AWEZNQCLSA-N 1 2 342.403 0.669 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H](O)C2)C1 ZINC000991577817 761749701 /nfs/dbraw/zinc/74/97/01/761749701.db2.gz XQDSIYQUFAXFSP-UONOGXRCSA-N 1 2 332.404 0.317 20 30 ECEDLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001212165752 761871437 /nfs/dbraw/zinc/87/14/37/761871437.db2.gz IVSMXMAJCRTLPY-HUUCEWRRSA-N 1 2 348.378 0.149 20 30 ECEDLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1OC ZINC001212165752 761871449 /nfs/dbraw/zinc/87/14/49/761871449.db2.gz IVSMXMAJCRTLPY-HUUCEWRRSA-N 1 2 348.378 0.149 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(c2ncccc2C#N)C[C@H]1O ZINC001051712078 762765969 /nfs/dbraw/zinc/76/59/69/762765969.db2.gz KJMPWLHQEFUOSY-DZGCQCFKSA-N 1 2 340.387 0.283 20 30 ECEDLO CN1C[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)CC1=O ZINC001014621464 762918980 /nfs/dbraw/zinc/91/89/80/762918980.db2.gz YBRMLHAGONTHLJ-GJZGRUSLSA-N 1 2 344.390 0.866 20 30 ECEDLO CN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)CC1=O ZINC001014621464 762918982 /nfs/dbraw/zinc/91/89/82/762918982.db2.gz YBRMLHAGONTHLJ-GJZGRUSLSA-N 1 2 344.390 0.866 20 30 ECEDLO CN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)CC1=O ZINC001014622328 762919337 /nfs/dbraw/zinc/91/93/37/762919337.db2.gz YZCZWJSSAROMFB-JKSUJKDBSA-N 1 2 326.400 0.727 20 30 ECEDLO CN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CC1=O ZINC001014622328 762919340 /nfs/dbraw/zinc/91/93/40/762919340.db2.gz YZCZWJSSAROMFB-JKSUJKDBSA-N 1 2 326.400 0.727 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2nc(C)no2)C1 ZINC001051834624 763076934 /nfs/dbraw/zinc/07/69/34/763076934.db2.gz SICDCHATJONELN-MCIONIFRSA-N 1 2 336.392 0.286 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NCC1=CCN(c2ccnc(C#N)n2)CC1 ZINC001127664364 763172255 /nfs/dbraw/zinc/17/22/55/763172255.db2.gz OGENWRMLJWPIIK-UHFFFAOYSA-N 1 2 337.387 0.577 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NCC1=CCN(c2cncc(C#N)n2)CC1 ZINC001127673985 763268991 /nfs/dbraw/zinc/26/89/91/763268991.db2.gz CVYRDZUXBQTQBN-UHFFFAOYSA-N 1 2 337.387 0.875 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001014851284 763303473 /nfs/dbraw/zinc/30/34/73/763303473.db2.gz JVBONXLTUXRIJX-YPMHNXCESA-N 1 2 340.387 0.961 20 30 ECEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@@H]3C(N)=O)C2)ccc1F ZINC001031896554 763424849 /nfs/dbraw/zinc/42/48/49/763424849.db2.gz HSZYUVOAXQRCPC-LSDHHAIUSA-N 1 2 344.390 0.757 20 30 ECEDLO C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001046942764 763430314 /nfs/dbraw/zinc/43/03/14/763430314.db2.gz XNNNZJUINSOMAU-GFCCVEGCSA-N 1 2 336.404 0.681 20 30 ECEDLO C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001046942764 763430319 /nfs/dbraw/zinc/43/03/19/763430319.db2.gz XNNNZJUINSOMAU-GFCCVEGCSA-N 1 2 336.404 0.681 20 30 ECEDLO CN1C[C@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)NC1=O ZINC001031902128 763470385 /nfs/dbraw/zinc/47/03/85/763470385.db2.gz HUQNBXKKJNAWAX-OAHLLOKOSA-N 1 2 327.388 0.130 20 30 ECEDLO CN1C[C@H](C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)NC1=O ZINC001031902261 763471370 /nfs/dbraw/zinc/47/13/70/763471370.db2.gz JGSSZZICDDFBQG-MRXNPFEDSA-N 1 2 344.390 0.249 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C2)CC1 ZINC001051976739 763494138 /nfs/dbraw/zinc/49/41/38/763494138.db2.gz KBVLRWVPRDRTIS-AWEZNQCLSA-N 1 2 329.404 0.038 20 30 ECEDLO Cc1ncc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)n1C ZINC001077572930 763518060 /nfs/dbraw/zinc/51/80/60/763518060.db2.gz UWNZVHIOTSUEKW-NVXWUHKLSA-N 1 2 339.399 0.575 20 30 ECEDLO Cc1ncc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)n1C ZINC001077572930 763518069 /nfs/dbraw/zinc/51/80/69/763518069.db2.gz UWNZVHIOTSUEKW-NVXWUHKLSA-N 1 2 339.399 0.575 20 30 ECEDLO C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001046993546 763530029 /nfs/dbraw/zinc/53/00/29/763530029.db2.gz PQBMKKVDKQJPJF-CHWSQXEVSA-N 1 2 348.415 0.660 20 30 ECEDLO C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001046993546 763530031 /nfs/dbraw/zinc/53/00/31/763530031.db2.gz PQBMKKVDKQJPJF-CHWSQXEVSA-N 1 2 348.415 0.660 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(CCc3cnn(C)c3)CC2)C1 ZINC001051997353 763546945 /nfs/dbraw/zinc/54/69/45/763546945.db2.gz AMMYXCMFXSOWAQ-WBVHZDCISA-N 1 2 344.463 0.341 20 30 ECEDLO Cc1nonc1CN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001051998129 763550211 /nfs/dbraw/zinc/55/02/11/763550211.db2.gz NNQGAOOVIPFKJM-OCCSQVGLSA-N 1 2 332.408 0.256 20 30 ECEDLO Cc1oncc1CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001051998607 763551477 /nfs/dbraw/zinc/55/14/77/763551477.db2.gz WGJCLFZMWZJOLM-XJKSGUPXSA-N 1 2 331.420 0.861 20 30 ECEDLO Cc1oncc1C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001051998607 763551484 /nfs/dbraw/zinc/55/14/84/763551484.db2.gz WGJCLFZMWZJOLM-XJKSGUPXSA-N 1 2 331.420 0.861 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)C[C@H]3COC(=O)C3)C2)CC1 ZINC001052012239 763583445 /nfs/dbraw/zinc/58/34/45/763583445.db2.gz GHIPSPPQMVMWCZ-CVEARBPZSA-N 1 2 335.448 0.734 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)C3CCC(O)CC3)C2)CC1 ZINC001052022047 763606920 /nfs/dbraw/zinc/60/69/20/763606920.db2.gz TUXGUOAULURMMY-ADKAHSJRSA-N 1 2 333.476 0.779 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn(C4CCC4)nn3)C2)CC1 ZINC001052027706 763621969 /nfs/dbraw/zinc/62/19/69/763621969.db2.gz IZNKDXFCZYZJLS-INIZCTEOSA-N 1 2 342.447 0.468 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cn(C4CCC4)nn3)C2)CC1 ZINC001052027706 763621978 /nfs/dbraw/zinc/62/19/78/763621978.db2.gz IZNKDXFCZYZJLS-INIZCTEOSA-N 1 2 342.447 0.468 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc4[nH]cnc4c3)C2)CC1 ZINC001052033029 763636044 /nfs/dbraw/zinc/63/60/44/763636044.db2.gz MEQOWCDGWGRZJA-AWEZNQCLSA-N 1 2 339.403 0.314 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn4ccncc34)C2)CC1 ZINC001052035557 763643976 /nfs/dbraw/zinc/64/39/76/763643976.db2.gz DOPCTXFBDJVUFX-HNNXBMFYSA-N 1 2 338.415 0.195 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc4n[nH]nc4n3)C2)CC1 ZINC001052035880 763645176 /nfs/dbraw/zinc/64/51/76/763645176.db2.gz SNERHSCIWURCEY-CYBMUJFWSA-N 1 2 341.419 0.371 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)CCc3ccnn3C)C2)CC1 ZINC001052035996 763646142 /nfs/dbraw/zinc/64/61/42/763646142.db2.gz WJPXTUUWCAWHOR-GOSISDBHSA-N 1 2 343.475 0.595 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)C[C@H]3CCC(=O)NC3)C2)CC1 ZINC001052036853 763652510 /nfs/dbraw/zinc/65/25/10/763652510.db2.gz WHSGEJAPQDVUJA-SJORKVTESA-N 1 2 348.491 0.697 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(C)nnn3CC)C2)CC1 ZINC001052036893 763652527 /nfs/dbraw/zinc/65/25/27/763652527.db2.gz XCTZPYPIIVHAPG-OAHLLOKOSA-N 1 2 332.452 0.625 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn(C(C)(C)C)nn3)C2)CC1 ZINC001052036969 763652583 /nfs/dbraw/zinc/65/25/83/763652583.db2.gz ZLSLUYURMCLFMK-OAHLLOKOSA-N 1 2 344.463 0.498 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn(C(C)(C)C)nn3)C2)CC1 ZINC001052036969 763652588 /nfs/dbraw/zinc/65/25/88/763652588.db2.gz ZLSLUYURMCLFMK-OAHLLOKOSA-N 1 2 344.463 0.498 20 30 ECEDLO COCc1cncc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)c1 ZINC001052037358 763655614 /nfs/dbraw/zinc/65/56/14/763655614.db2.gz LJDRDPVRQOCNPV-KRWDZBQOSA-N 1 2 343.431 0.584 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc4cc[nH]c4c3)C2)CC1 ZINC001052040339 763661556 /nfs/dbraw/zinc/66/15/56/763661556.db2.gz CSXQHTOZUIHNNR-OAHLLOKOSA-N 1 2 338.415 0.919 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(OCC)n[nH]3)C2)CC1 ZINC001052041083 763665043 /nfs/dbraw/zinc/66/50/43/763665043.db2.gz RNPKUIOKNRPXFX-AWEZNQCLSA-N 1 2 331.420 0.274 20 30 ECEDLO CCc1nn(C)cc1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052042097 763670831 /nfs/dbraw/zinc/67/08/31/763670831.db2.gz XXEGKDKHYBSIFV-AWEZNQCLSA-N 1 2 330.436 0.338 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@]3(C)CCNC(=O)C3)C2)CC1 ZINC001052042847 763672192 /nfs/dbraw/zinc/67/21/92/763672192.db2.gz HYVURXHSIUJDPH-VQIMIIECSA-N 1 2 348.491 0.697 20 30 ECEDLO COc1cncc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)c1C ZINC001052043426 763674660 /nfs/dbraw/zinc/67/46/60/763674660.db2.gz XWKNIUAZKUFQNE-HNNXBMFYSA-N 1 2 343.431 0.754 20 30 ECEDLO CCc1nnc(C)cc1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052044939 763681444 /nfs/dbraw/zinc/68/14/44/763681444.db2.gz NWROHEXKOGHYRZ-OAHLLOKOSA-N 1 2 342.447 0.703 20 30 ECEDLO CC(C)c1n[nH]cc1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052047863 763692787 /nfs/dbraw/zinc/69/27/87/763692787.db2.gz DCACQONMRVBAPX-CQSZACIVSA-N 1 2 330.436 0.889 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccccc3)C2)CC1 ZINC001052048192 763695350 /nfs/dbraw/zinc/69/53/50/763695350.db2.gz NLOYTFAYBAWDRY-KRWDZBQOSA-N 1 2 340.427 0.477 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)C(=O)Nc3ccccc3)C2)CC1 ZINC001052048192 763695357 /nfs/dbraw/zinc/69/53/57/763695357.db2.gz NLOYTFAYBAWDRY-KRWDZBQOSA-N 1 2 340.427 0.477 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3CCCC(=O)N3)C2)CC1 ZINC001052048662 763697480 /nfs/dbraw/zinc/69/74/80/763697480.db2.gz AJAVUPYSIXTQIC-IAGOWNOFSA-N 1 2 346.475 0.287 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3ccn(C(C)C)n3)C2)CC1 ZINC001052055500 763724617 /nfs/dbraw/zinc/72/46/17/763724617.db2.gz MZZALMKFFHKQAJ-GOSISDBHSA-N 1 2 343.475 0.858 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3c(C)nn(C)c3C)C2)CC1 ZINC001052059894 763739023 /nfs/dbraw/zinc/73/90/23/763739023.db2.gz SCIALOMPPARKEY-KRWDZBQOSA-N 1 2 343.475 0.892 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@@H]3CCC(=O)N3C)C2)CC1 ZINC001052060402 763739774 /nfs/dbraw/zinc/73/97/74/763739774.db2.gz CUHKXZTZCXJPCG-IRXDYDNUSA-N 1 2 346.475 0.239 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([NH+]2CCN([C@H]3CCNC3=O)CC2)C1 ZINC001052060188 763739927 /nfs/dbraw/zinc/73/99/27/763739927.db2.gz ZIFHJBJALSMOPI-HOTGVXAUSA-N 1 2 348.491 0.696 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@H]3CCC(=O)N3C)C2)CC1 ZINC001052060403 763739983 /nfs/dbraw/zinc/73/99/83/763739983.db2.gz CUHKXZTZCXJPCG-SJORKVTESA-N 1 2 346.475 0.239 20 30 ECEDLO Cn1cc(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)[nH]c1=O ZINC001031950997 763752438 /nfs/dbraw/zinc/75/24/38/763752438.db2.gz HZANTXPEGUPGIU-UHFFFAOYSA-N 1 2 343.362 0.998 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@]3(C)CCOC3)C2)nn1 ZINC001098758231 763752911 /nfs/dbraw/zinc/75/29/11/763752911.db2.gz XKQZXYMWCJSNNM-WBVHZDCISA-N 1 2 331.420 0.591 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3csc(=O)[nH]3)C2)CC1 ZINC001052068081 763760360 /nfs/dbraw/zinc/76/03/60/763760360.db2.gz VDXYQFXRMRTPCH-CYBMUJFWSA-N 1 2 334.445 0.704 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(C)nc[nH]c3=O)C2)CC1 ZINC001052069293 763764191 /nfs/dbraw/zinc/76/41/91/763764191.db2.gz WRROGBKCFHCERX-OAHLLOKOSA-N 1 2 343.431 0.346 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@]3(C)CCCOC3)C2)nn1 ZINC001098758287 763765857 /nfs/dbraw/zinc/76/58/57/763765857.db2.gz YWDUBWCNRDVOOX-WMZOPIPTSA-N 1 2 345.447 0.981 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)c3cncnc3)C2)CC1 ZINC001052070014 763766849 /nfs/dbraw/zinc/76/68/49/763766849.db2.gz ATANYZVGIQEMAH-WBVHZDCISA-N 1 2 327.432 0.432 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001047176972 763768357 /nfs/dbraw/zinc/76/83/57/763768357.db2.gz LGUXQPOMBYMCTI-UHFFFAOYSA-N 1 2 340.811 0.420 20 30 ECEDLO C=C1CCC(C(=O)N2CC[C@@H]([NH+]3CCN(CC(N)=O)CC3)C2)CC1 ZINC001052073586 763777203 /nfs/dbraw/zinc/77/72/03/763777203.db2.gz JODJISXBPLCVLQ-MRXNPFEDSA-N 1 2 334.464 0.437 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cccnc3OC)C2)CC1 ZINC001052074701 763780634 /nfs/dbraw/zinc/78/06/34/763780634.db2.gz JEQOETKOAHRMJR-HNNXBMFYSA-N 1 2 328.416 0.556 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccnc3OC)C2)CC1 ZINC001052074701 763780635 /nfs/dbraw/zinc/78/06/35/763780635.db2.gz JEQOETKOAHRMJR-HNNXBMFYSA-N 1 2 328.416 0.556 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3c[nH]c(=O)cc3C)C2)CC1 ZINC001052081482 763798397 /nfs/dbraw/zinc/79/83/97/763798397.db2.gz MPBPITADICSXSL-INIZCTEOSA-N 1 2 342.443 0.951 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@H]([NH+]3CCN([C@H](C)C(=O)NC)CC3)C2)C1 ZINC001052081514 763798887 /nfs/dbraw/zinc/79/88/87/763798887.db2.gz MTZIHEBDJPFIHF-CVEARBPZSA-N 1 2 348.491 0.696 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@H](N3CC[NH+]([C@H](C)C(=O)NC)CC3)C2)C1 ZINC001052081514 763798892 /nfs/dbraw/zinc/79/88/92/763798892.db2.gz MTZIHEBDJPFIHF-CVEARBPZSA-N 1 2 348.491 0.696 20 30 ECEDLO C[C@H](Oc1cccnc1)C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052082640 763802613 /nfs/dbraw/zinc/80/26/13/763802613.db2.gz VAYULESPCGUCBZ-JKSUJKDBSA-N 1 2 343.431 0.591 20 30 ECEDLO C=C(C)C[NH+]1CCN([C@@H]2CCN(C(=O)CCc3cn[nH]n3)C2)CC1 ZINC001052086469 763814642 /nfs/dbraw/zinc/81/46/42/763814642.db2.gz BEJOSXJZNAVATO-MRXNPFEDSA-N 1 2 332.452 0.532 20 30 ECEDLO C=C(C)C[NH+]1CCN([C@@H]2CCN(C(=O)CCc3c[nH]nn3)C2)CC1 ZINC001052086469 763814651 /nfs/dbraw/zinc/81/46/51/763814651.db2.gz BEJOSXJZNAVATO-MRXNPFEDSA-N 1 2 332.452 0.532 20 30 ECEDLO CCCn1cc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)cn1 ZINC001052090221 763827456 /nfs/dbraw/zinc/82/74/56/763827456.db2.gz YNWXZPJXQOSBCL-MRXNPFEDSA-N 1 2 330.436 0.649 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc(OC)nc3)C2)CC1 ZINC001052105326 763875880 /nfs/dbraw/zinc/87/58/80/763875880.db2.gz IOZDIEHXMLFSPB-MRXNPFEDSA-N 1 2 343.431 0.341 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(CCF)CC3)C2)cn1 ZINC001052108454 763891414 /nfs/dbraw/zinc/89/14/14/763891414.db2.gz MSCUQAUQTMAMCQ-QGZVFWFLSA-N 1 2 330.407 0.865 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3cccs3)C2)C1=O ZINC001047289212 763893064 /nfs/dbraw/zinc/89/30/64/763893064.db2.gz ZKJPFSCWUOAQTH-RDBSUJKOSA-N 1 2 349.456 0.652 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3cccs3)C2)C1=O ZINC001047289212 763893074 /nfs/dbraw/zinc/89/30/74/763893074.db2.gz ZKJPFSCWUOAQTH-RDBSUJKOSA-N 1 2 349.456 0.652 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3ccoc3C)C2)C1=O ZINC001047297190 763914626 /nfs/dbraw/zinc/91/46/26/763914626.db2.gz IORZRHWYVFCYCV-PMPSAXMXSA-N 1 2 347.415 0.492 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3ccoc3C)C2)C1=O ZINC001047297190 763914634 /nfs/dbraw/zinc/91/46/34/763914634.db2.gz IORZRHWYVFCYCV-PMPSAXMXSA-N 1 2 347.415 0.492 20 30 ECEDLO CN(C)c1ncccc1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052116911 763925771 /nfs/dbraw/zinc/92/57/71/763925771.db2.gz AQCRHQLFFDRLCF-OAHLLOKOSA-N 1 2 342.447 0.503 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ncc4n3CCCC4)C2)CC1 ZINC001052120175 763937830 /nfs/dbraw/zinc/93/78/30/763937830.db2.gz ZTPGQDFURRDLJE-MRXNPFEDSA-N 1 2 342.447 0.575 20 30 ECEDLO CN(C(=O)[C@@H]1CCOC1)[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@@H]1O ZINC001047322563 763993163 /nfs/dbraw/zinc/99/31/63/763993163.db2.gz QPLGYCUWHFQOME-COXVUDFISA-N 1 2 347.390 0.737 20 30 ECEDLO CN(C(=O)[C@@H]1CCOC1)[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1O ZINC001047322563 763993167 /nfs/dbraw/zinc/99/31/67/763993167.db2.gz QPLGYCUWHFQOME-COXVUDFISA-N 1 2 347.390 0.737 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2cncc(OC)n2)C1 ZINC001031988148 763997256 /nfs/dbraw/zinc/99/72/56/763997256.db2.gz NMANUIJMUPEBCP-CABCVRRESA-N 1 2 332.404 0.624 20 30 ECEDLO C=CC(C)(C)C(=O)N(CCO)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001111537730 764010988 /nfs/dbraw/zinc/01/09/88/764010988.db2.gz KLLCKIQVFCOWGU-UHFFFAOYSA-N 1 2 336.440 0.691 20 30 ECEDLO Cc1oncc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001047337988 764045876 /nfs/dbraw/zinc/04/58/76/764045876.db2.gz ONHUEFHOEZZLSL-GJZGRUSLSA-N 1 2 329.360 0.500 20 30 ECEDLO Cc1oncc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001047337988 764045883 /nfs/dbraw/zinc/04/58/83/764045883.db2.gz ONHUEFHOEZZLSL-GJZGRUSLSA-N 1 2 329.360 0.500 20 30 ECEDLO C=CCOCC(=O)N1C[C@H](C)[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001052215271 764066838 /nfs/dbraw/zinc/06/68/38/764066838.db2.gz PAECYEALHREKNE-KBPBESRZSA-N 1 2 334.420 0.756 20 30 ECEDLO C=CCOCC(=O)N1C[C@H](C)[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001052215271 764066843 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/nfs/dbraw/zinc/73/02/25/765730225.db2.gz GHXHNBQLJLSTGE-MRXNPFEDSA-N 1 2 326.400 0.489 20 30 ECEDLO CC[C@H](C[NH+]1CC2(C1)CN(C(=O)c1c[nH]c(C#N)c1)CCO2)OC ZINC001053226952 765793582 /nfs/dbraw/zinc/79/35/82/765793582.db2.gz FDHKWPIHBUSABH-OAHLLOKOSA-N 1 2 332.404 0.838 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OCC(N)=O)cc1 ZINC001017719279 768322144 /nfs/dbraw/zinc/32/21/44/768322144.db2.gz UIWWKUAAHXDFSW-GASCZTMLSA-N 1 2 327.384 0.473 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OCC(N)=O)cc1 ZINC001017719279 768322151 /nfs/dbraw/zinc/32/21/51/768322151.db2.gz UIWWKUAAHXDFSW-GASCZTMLSA-N 1 2 327.384 0.473 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC(=O)N[C@H](CC)C1)CCO2 ZINC001053355899 766022945 /nfs/dbraw/zinc/02/29/45/766022945.db2.gz HNPVDWGDUGUDRN-HUUCEWRRSA-N 1 2 335.448 0.781 20 30 ECEDLO C=CCN1CC2(C1)CN(C(=O)[C@H]1COCC[N@@H+]1CC1CCC1)CCO2 ZINC001053359373 766030724 /nfs/dbraw/zinc/03/07/24/766030724.db2.gz OPDYVCPREGMPEL-QGZVFWFLSA-N 1 2 349.475 0.587 20 30 ECEDLO C=CCN1CC2(C1)CN(C(=O)[C@H]1COCC[N@H+]1CC1CCC1)CCO2 ZINC001053359373 766030728 /nfs/dbraw/zinc/03/07/28/766030728.db2.gz OPDYVCPREGMPEL-QGZVFWFLSA-N 1 2 349.475 0.587 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2nncn2CC1 ZINC001017745896 768343571 /nfs/dbraw/zinc/34/35/71/768343571.db2.gz VYPPATFWSWUDDJ-HRCADAONSA-N 1 2 327.432 0.929 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2nncn2CC1 ZINC001017745896 768343577 /nfs/dbraw/zinc/34/35/77/768343577.db2.gz VYPPATFWSWUDDJ-HRCADAONSA-N 1 2 327.432 0.929 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2nc(C)nn2C1 ZINC001017759513 768350371 /nfs/dbraw/zinc/35/03/71/768350371.db2.gz RVEWILVBRLSQCL-OAGGEKHMSA-N 1 2 327.432 0.847 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2nc(C)nn2C1 ZINC001017759513 768350379 /nfs/dbraw/zinc/35/03/79/768350379.db2.gz RVEWILVBRLSQCL-OAGGEKHMSA-N 1 2 327.432 0.847 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(-n2ccnn2)c1 ZINC001017764886 768354102 /nfs/dbraw/zinc/35/41/02/768354102.db2.gz ALYZBTKTWPPRMD-IYBDPMFKSA-N 1 2 336.399 0.974 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(-n2ccnn2)c1 ZINC001017764886 768354110 /nfs/dbraw/zinc/35/41/10/768354110.db2.gz ALYZBTKTWPPRMD-IYBDPMFKSA-N 1 2 336.399 0.974 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c(C)[nH]c(=O)[nH]c1=O ZINC001017781759 768365424 /nfs/dbraw/zinc/36/54/24/768365424.db2.gz LHUGKWDLLVGORW-BETUJISGSA-N 1 2 330.388 0.437 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c(C)[nH]c(=O)[nH]c1=O ZINC001017781759 768365431 /nfs/dbraw/zinc/36/54/31/768365431.db2.gz LHUGKWDLLVGORW-BETUJISGSA-N 1 2 330.388 0.437 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3nn(CC)nc3C)C2)C1=O ZINC001016425550 766277460 /nfs/dbraw/zinc/27/74/60/766277460.db2.gz ZSYWTLOUUKTECS-UONOGXRCSA-N 1 2 346.435 0.197 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3nn(CC)nc3C)C2)C1=O ZINC001016425550 766277463 /nfs/dbraw/zinc/27/74/63/766277463.db2.gz ZSYWTLOUUKTECS-UONOGXRCSA-N 1 2 346.435 0.197 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cc1nc3ncccn3n1)CCO2 ZINC001053532548 766291379 /nfs/dbraw/zinc/29/13/79/766291379.db2.gz PJQKGKIDDYAHAX-UHFFFAOYSA-N 1 2 342.403 0.156 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](C)N1CCCCC1=O)CCO2 ZINC001053540930 766305441 /nfs/dbraw/zinc/30/54/41/766305441.db2.gz LXBKSLXNUOROPI-HNNXBMFYSA-N 1 2 335.448 0.877 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1c(OC)ncnc1OC)CCO2 ZINC001053550107 766318725 /nfs/dbraw/zinc/31/87/25/766318725.db2.gz LDPOYPNSVNXYID-UHFFFAOYSA-N 1 2 348.403 0.597 20 30 ECEDLO Cn1cc(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)nn1 ZINC001031649471 766342360 /nfs/dbraw/zinc/34/23/60/766342360.db2.gz BZOJODRWGCZULH-UHFFFAOYSA-N 1 2 328.351 0.688 20 30 ECEDLO C=C1CCC(C(=O)NCC2(O)CN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001045768562 766344789 /nfs/dbraw/zinc/34/47/89/766344789.db2.gz IRCZRCRLRVNALM-UHFFFAOYSA-N 1 2 346.431 0.778 20 30 ECEDLO C=C1CCC(C(=O)NCC2(O)CN(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001045768692 766344991 /nfs/dbraw/zinc/34/49/91/766344991.db2.gz NRKAOTCTLAQGEZ-UHFFFAOYSA-N 1 2 346.431 0.399 20 30 ECEDLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C#CC1CC1 ZINC001212250591 766410244 /nfs/dbraw/zinc/41/02/44/766410244.db2.gz CCSFPMUYTVSFNL-NUEKZKHPSA-N 1 2 335.448 0.471 20 30 ECEDLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]1NC(=O)C#CC1CC1 ZINC001212250591 766410246 /nfs/dbraw/zinc/41/02/46/766410246.db2.gz CCSFPMUYTVSFNL-NUEKZKHPSA-N 1 2 335.448 0.471 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CC(=O)N(C(C)C)C1)O2 ZINC001053604395 766414290 /nfs/dbraw/zinc/41/42/90/766414290.db2.gz DZIWVCSLTALHDQ-HUUCEWRRSA-N 1 2 335.448 0.779 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1nc(OC)cc(OC)n1)O2 ZINC001053617843 766443325 /nfs/dbraw/zinc/44/33/25/766443325.db2.gz HTTPTPGXHQLLOK-LBPRGKRZSA-N 1 2 348.403 0.643 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1CCC3(CN(CC#N)C3)O1)C2 ZINC001053618694 766446843 /nfs/dbraw/zinc/44/68/43/766446843.db2.gz CPPDJFGTSKCBFO-ZIAGYGMSSA-N 1 2 343.431 0.696 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCC3(CN(CC#N)C3)O1)CC2 ZINC001053618694 766446849 /nfs/dbraw/zinc/44/68/49/766446849.db2.gz CPPDJFGTSKCBFO-ZIAGYGMSSA-N 1 2 343.431 0.696 20 30 ECEDLO N#CCN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCc3[nH+]ccn3C1)O2 ZINC001053619427 766449683 /nfs/dbraw/zinc/44/96/83/766449683.db2.gz RTHQHEYUJUGWCL-ZIAGYGMSSA-N 1 2 329.404 0.319 20 30 ECEDLO C=CCN1CC2(C1)CC[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)O2 ZINC001053620373 766453957 /nfs/dbraw/zinc/45/39/57/766453957.db2.gz LETIQVPMLIKMBE-ZDUSSCGKSA-N 1 2 334.420 0.885 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCN(C(C)=O)C1)O2 ZINC001053625985 766467556 /nfs/dbraw/zinc/46/75/56/766467556.db2.gz KWOSUZSZFBGZSR-CVEARBPZSA-N 1 2 335.448 0.781 20 30 ECEDLO N#Cc1cnc(NC[C@@H](O)CNC(=O)Cc2c[nH]c[nH+]2)c(Cl)c1 ZINC001106130090 766470016 /nfs/dbraw/zinc/47/00/16/766470016.db2.gz PTQOBWMCMNEEBY-NSHDSACASA-N 1 2 334.767 0.461 20 30 ECEDLO C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c(C)nc[nH]c1=O)O2 ZINC001053649507 766510945 /nfs/dbraw/zinc/51/09/45/766510945.db2.gz NZJLIFWQZWKCNH-ZDUSSCGKSA-N 1 2 330.388 0.477 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCc3nn[nH]c31)O2 ZINC001053654588 766520398 /nfs/dbraw/zinc/52/03/98/766520398.db2.gz QPTLSTPFRNKAQS-STQMWFEESA-N 1 2 331.420 0.760 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCc3nn[nH]c31)O2 ZINC001053654586 766520585 /nfs/dbraw/zinc/52/05/85/766520585.db2.gz QPTLSTPFRNKAQS-OLZOCXBDSA-N 1 2 331.420 0.760 20 30 ECEDLO N#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCc3[nH+]c[nH]c31)O2 ZINC001053662175 766533607 /nfs/dbraw/zinc/53/36/07/766533607.db2.gz DVFXSEWPXKUBAA-STQMWFEESA-N 1 2 329.404 0.703 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1nc3ncccn3n1)O2 ZINC001053677689 766561647 /nfs/dbraw/zinc/56/16/47/766561647.db2.gz GRXMJYABRFLDOO-LBPRGKRZSA-N 1 2 328.376 0.274 20 30 ECEDLO C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCc3n[nH]nc3C1)O2 ZINC001053686597 766588280 /nfs/dbraw/zinc/58/82/80/766588280.db2.gz UMWCVRNCUFILRY-ZIAGYGMSSA-N 1 2 343.431 0.283 20 30 ECEDLO C[C@H](CC(=O)NC[C@@H](O)CNc1nccnc1C#N)n1cc[nH+]c1 ZINC001106132310 766616027 /nfs/dbraw/zinc/61/60/27/766616027.db2.gz YATDCYBODHTBGX-VXGBXAGGSA-N 1 2 329.364 0.085 20 30 ECEDLO CCc1noc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)n1 ZINC001046011767 766637238 /nfs/dbraw/zinc/63/72/38/766637238.db2.gz HGIAHCNAHCGZSA-UONOGXRCSA-N 1 2 346.435 0.510 20 30 ECEDLO CCc1noc(C[N@H+]2CC[C@@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)n1 ZINC001046011767 766637245 /nfs/dbraw/zinc/63/72/45/766637245.db2.gz HGIAHCNAHCGZSA-UONOGXRCSA-N 1 2 346.435 0.510 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)nc2)C[C@H]1OC ZINC001212261216 766639877 /nfs/dbraw/zinc/63/98/77/766639877.db2.gz UTLQKDULTWNRRX-HZPDHXFCSA-N 1 2 347.415 0.446 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)nc2)C[C@H]1OC ZINC001212261216 766639886 /nfs/dbraw/zinc/63/98/86/766639886.db2.gz UTLQKDULTWNRRX-HZPDHXFCSA-N 1 2 347.415 0.446 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3ccnc4ccnn43)CC2)C1 ZINC001046035748 766722272 /nfs/dbraw/zinc/72/22/72/766722272.db2.gz RVDMGWLMFWDZNN-CQSZACIVSA-N 1 2 339.403 0.085 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)CC2)C1 ZINC001046044073 766765041 /nfs/dbraw/zinc/76/50/41/766765041.db2.gz OHPAMXFSRKHRKC-FGTMMUONSA-N 1 2 346.475 0.791 20 30 ECEDLO Cc1cc(C)n(CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)n1 ZINC001046045500 766772022 /nfs/dbraw/zinc/77/20/22/766772022.db2.gz YJCUBAUGNXSIEY-MRXNPFEDSA-N 1 2 330.436 0.242 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)C1 ZINC001046045795 766772433 /nfs/dbraw/zinc/77/24/33/766772433.db2.gz NKYGAODAALEGGG-LUKYLMHMSA-N 1 2 332.448 0.544 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)CC2)C1 ZINC001046046994 766776282 /nfs/dbraw/zinc/77/62/82/766776282.db2.gz KPESYLNMBDGKLL-BBWFWOEESA-N 1 2 332.448 0.544 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3cn(C)nn3)C2)CC1 ZINC001046051895 766792905 /nfs/dbraw/zinc/79/29/05/766792905.db2.gz QXPAHIHMYFJLLK-INIZCTEOSA-N 1 2 346.479 0.746 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCN([C@H]2CC[N@H+](Cc3cn(C)nn3)C2)CC1 ZINC001046051895 766792912 /nfs/dbraw/zinc/79/29/12/766792912.db2.gz QXPAHIHMYFJLLK-INIZCTEOSA-N 1 2 346.479 0.746 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(Cc3cn(C)nn3)C2)CC1 ZINC001046051895 766792926 /nfs/dbraw/zinc/79/29/26/766792926.db2.gz QXPAHIHMYFJLLK-INIZCTEOSA-N 1 2 346.479 0.746 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@H]3CCc4cccnc43)CC2)C1 ZINC001046054413 766800504 /nfs/dbraw/zinc/80/05/04/766800504.db2.gz MWKCFDWAERLYRQ-SJORKVTESA-N 1 2 339.443 0.853 20 30 ECEDLO Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)nc(C)n1 ZINC001046070047 766871969 /nfs/dbraw/zinc/87/19/69/766871969.db2.gz NUFVMZNNGNATOZ-OAHLLOKOSA-N 1 2 328.420 0.449 20 30 ECEDLO CC(C)n1cc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)nn1 ZINC001046075044 766893291 /nfs/dbraw/zinc/89/32/91/766893291.db2.gz NRGPFGUERODBHA-AWEZNQCLSA-N 1 2 331.424 0.215 20 30 ECEDLO C=CCN1CC2(C1)C[C@H](NC(=O)c1cc([C@@H]3CCC[N@H+]3C)n[nH]1)CO2 ZINC001053805515 766893928 /nfs/dbraw/zinc/89/39/28/766893928.db2.gz SSXWIJISOPIXKP-BBRMVZONSA-N 1 2 345.447 0.936 20 30 ECEDLO C=CCN1CC2(C1)C[C@H](NC(=O)c1cc([C@@H]3CCC[N@@H+]3C)n[nH]1)CO2 ZINC001053805515 766893932 /nfs/dbraw/zinc/89/39/32/766893932.db2.gz SSXWIJISOPIXKP-BBRMVZONSA-N 1 2 345.447 0.936 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1nnn(C(C)(C)C)n1)CO2 ZINC001053807250 766899966 /nfs/dbraw/zinc/89/99/66/766899966.db2.gz FYICRQCJCWWXOS-LBPRGKRZSA-N 1 2 334.424 0.577 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCN(C(=O)CC)C1)CO2 ZINC001053813321 766909238 /nfs/dbraw/zinc/90/92/38/766909238.db2.gz PIPXRGBOAZWQDC-CVEARBPZSA-N 1 2 347.459 0.618 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3c[nH]nc3C3CC3)CC2)C1 ZINC001046079524 766914457 /nfs/dbraw/zinc/91/44/57/766914457.db2.gz 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ZINC001017838963 768442064 /nfs/dbraw/zinc/44/20/64/768442064.db2.gz GKWOKMQSEPFDFX-OWCLPIDISA-N 1 2 344.415 0.679 20 30 ECEDLO N#Cc1nccnc1N[C@@H]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]12 ZINC001060535312 768567735 /nfs/dbraw/zinc/56/77/35/768567735.db2.gz MJJVJWQVJKPMJL-MGPQQGTHSA-N 1 2 337.387 0.894 20 30 ECEDLO N#Cc1cncc(N[C@@H]2CC[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)n1 ZINC001060535607 768572416 /nfs/dbraw/zinc/57/24/16/768572416.db2.gz QROHLVGECYFAAN-NWANDNLSSA-N 1 2 337.387 0.894 20 30 ECEDLO N#Cc1cncc(N[C@@H]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]23)n1 ZINC001060535606 768572595 /nfs/dbraw/zinc/57/25/95/768572595.db2.gz QROHLVGECYFAAN-BPLDGKMQSA-N 1 2 337.387 0.894 20 30 ECEDLO N#Cc1cnccc1N[C@@H]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001060540663 768644853 /nfs/dbraw/zinc/64/48/53/768644853.db2.gz BURZUBOBBLVPFO-JGGQBBKZSA-N 1 2 336.399 0.990 20 30 ECEDLO C[C@H]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001018091261 768710844 /nfs/dbraw/zinc/71/08/44/768710844.db2.gz GCLKRNZKLNTFHY-AAEUAGOBSA-N 1 2 340.387 0.961 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCOCCOC)C2)nn1 ZINC001098790602 768771091 /nfs/dbraw/zinc/77/10/91/768771091.db2.gz WROHFBMDTQTXMY-MRXNPFEDSA-N 1 2 349.435 0.218 20 30 ECEDLO N#Cc1cnc(N[C@@H]2CC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)cn1 ZINC001060556787 768803927 /nfs/dbraw/zinc/80/39/27/768803927.db2.gz HHTHZHBNYBWMPN-NILFDRSVSA-N 1 2 337.387 0.963 20 30 ECEDLO C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001018228755 768922310 /nfs/dbraw/zinc/92/23/10/768922310.db2.gz CXDBHKOGURUFQU-OCCSQVGLSA-N 1 2 340.387 0.892 20 30 ECEDLO C[C@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001018440440 769350682 /nfs/dbraw/zinc/35/06/82/769350682.db2.gz LZXPFQVPYONNKO-WCQYABFASA-N 1 2 340.387 0.961 20 30 ECEDLO N#Cc1nccc(NC2CCC(NC(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC001060603572 769418481 /nfs/dbraw/zinc/41/84/81/769418481.db2.gz UJTIDWHXNXMWFS-UHFFFAOYSA-N 1 2 325.376 0.575 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)c2ccco2)C1 ZINC000993633234 769445180 /nfs/dbraw/zinc/44/51/80/769445180.db2.gz UDAHDYLSIAYMGG-JHJVBQTASA-N 1 2 341.371 0.897 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C(C)(C)F)C1 ZINC000993633214 769445635 /nfs/dbraw/zinc/44/56/35/769445635.db2.gz UCAULSFYZKXUKZ-QJPTWQEYSA-N 1 2 335.383 0.738 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)[C@H]1C ZINC000993751967 769554019 /nfs/dbraw/zinc/55/40/19/769554019.db2.gz SXULBDFAFIKZIL-BXUZGUMPSA-N 1 2 330.388 0.521 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](NC(=O)C(N)=O)[C@H]1C ZINC000993751967 769554026 /nfs/dbraw/zinc/55/40/26/769554026.db2.gz SXULBDFAFIKZIL-BXUZGUMPSA-N 1 2 330.388 0.521 20 30 ECEDLO N#Cc1cnc(N2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)cn1 ZINC001055940749 770301704 /nfs/dbraw/zinc/30/17/04/770301704.db2.gz QSCVPBVDLOXLHX-CYBMUJFWSA-N 1 2 337.387 0.456 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cnnn3C)[C@H]2C)cn1 ZINC000994236874 770370127 /nfs/dbraw/zinc/37/01/27/770370127.db2.gz DBXUKJICKMYCRA-SUMWQHHRSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cnnn3C)[C@H]2C)cn1 ZINC000994236874 770370131 /nfs/dbraw/zinc/37/01/31/770370131.db2.gz DBXUKJICKMYCRA-SUMWQHHRSA-N 1 2 338.415 0.974 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC)[C@@H]1C ZINC000994245152 770403242 /nfs/dbraw/zinc/40/32/42/770403242.db2.gz WWQLXEBNSMFRLY-UKRRQHHQSA-N 1 2 344.415 0.422 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC)[C@@H]1C ZINC000994245152 770403244 /nfs/dbraw/zinc/40/32/44/770403244.db2.gz WWQLXEBNSMFRLY-UKRRQHHQSA-N 1 2 344.415 0.422 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CCC[N@H+](CC(N)=O)[C@@H]1C ZINC000994245172 770403963 /nfs/dbraw/zinc/40/39/63/770403963.db2.gz XCANCHGIHJHOQB-OCCSQVGLSA-N 1 2 330.388 0.162 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)[C@@H]1C ZINC000994245172 770403970 /nfs/dbraw/zinc/40/39/70/770403970.db2.gz XCANCHGIHJHOQB-OCCSQVGLSA-N 1 2 330.388 0.162 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N[C@@H](C)c2nncn2C)C1 ZINC001018985713 770483931 /nfs/dbraw/zinc/48/39/31/770483931.db2.gz AKQCHNXXWDQQTK-KKUMJFAQSA-N 1 2 330.436 0.164 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N[C@@H](C)c2nncn2C)C1 ZINC001018985713 770483935 /nfs/dbraw/zinc/48/39/35/770483935.db2.gz AKQCHNXXWDQQTK-KKUMJFAQSA-N 1 2 330.436 0.164 20 30 ECEDLO N#CCSCC(=O)N[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001060668591 770562472 /nfs/dbraw/zinc/56/24/72/770562472.db2.gz FMJWLDGFRXHEAM-HDJSIYSDSA-N 1 2 349.460 0.931 20 30 ECEDLO C#CCCCC(=O)N1CCC[C@](CO)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001056026132 770603622 /nfs/dbraw/zinc/60/36/22/770603622.db2.gz SAJYXBDSVDSREL-SFHVURJKSA-N 1 2 346.431 0.546 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(c2ccnc(C#N)n2)CC1 ZINC001056046439 770664448 /nfs/dbraw/zinc/66/44/48/770664448.db2.gz NWUDJMLEJJKYOM-LBPRGKRZSA-N 1 2 325.376 0.599 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2ccnc(C#N)n2)CC1 ZINC001056046439 770664453 /nfs/dbraw/zinc/66/44/53/770664453.db2.gz NWUDJMLEJJKYOM-LBPRGKRZSA-N 1 2 325.376 0.599 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H]1C ZINC000994367981 770667790 /nfs/dbraw/zinc/66/77/90/770667790.db2.gz VAHSZZAQJQLIND-NWDGAFQWSA-N 1 2 342.827 0.602 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H]1C ZINC000994367981 770667801 /nfs/dbraw/zinc/66/78/01/770667801.db2.gz VAHSZZAQJQLIND-NWDGAFQWSA-N 1 2 342.827 0.602 20 30 ECEDLO C#CCCCCC(=O)N1CCC[C@@](CO)(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001056080588 770780439 /nfs/dbraw/zinc/78/04/39/770780439.db2.gz VRKFPJBPMSTDHO-GOSISDBHSA-N 1 2 346.431 0.616 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001019136046 770895857 /nfs/dbraw/zinc/89/58/57/770895857.db2.gz KZIPTXGZGPWVTI-KBPBESRZSA-N 1 2 341.415 0.666 20 30 ECEDLO C=C(C)CCC(=O)N1CCC[C@](CO)(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001056163139 770968396 /nfs/dbraw/zinc/96/83/96/770968396.db2.gz JIUQPFLVTANSBV-KRWDZBQOSA-N 1 2 334.420 0.778 20 30 ECEDLO N#CCSCC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056246681 771035316 /nfs/dbraw/zinc/03/53/16/771035316.db2.gz GNURWMAIIOCJOK-QWHCGFSZSA-N 1 2 347.444 0.801 20 30 ECEDLO N#CCSCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056249240 771038991 /nfs/dbraw/zinc/03/89/91/771038991.db2.gz VMEXNSWTSOQBGY-KBPBESRZSA-N 1 2 347.444 0.801 20 30 ECEDLO N#Cc1nccnc1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001056326532 771129473 /nfs/dbraw/zinc/12/94/73/771129473.db2.gz DOLDSRMSJSTOFZ-UYHMYPTGSA-N 1 2 349.398 0.358 20 30 ECEDLO N#Cc1cnccc1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001056327163 771130985 /nfs/dbraw/zinc/13/09/85/771130985.db2.gz QCBXCOACDTTYEZ-BWUSGFMJSA-N 1 2 348.410 0.963 20 30 ECEDLO N#Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCc3c[nH+]cn3C2)nc1 ZINC001056335236 771142072 /nfs/dbraw/zinc/14/20/72/771142072.db2.gz GHSZSCFIZCZIHF-KBEGMRNHSA-N 1 2 348.410 0.963 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001019367190 771212075 /nfs/dbraw/zinc/21/20/75/771212075.db2.gz RYAOPANKLKJHRC-ZIAGYGMSSA-N 1 2 341.415 0.666 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3COCCO3)C2)cc1F ZINC001031555034 771271868 /nfs/dbraw/zinc/27/18/68/771271868.db2.gz ORIKTXYZFSJORC-INIZCTEOSA-N 1 2 333.363 0.661 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)c1 ZINC000994601037 771273105 /nfs/dbraw/zinc/27/31/05/771273105.db2.gz JQAPBLLTQZVVBY-CQSZACIVSA-N 1 2 349.394 0.463 20 30 ECEDLO CN(CCOCCNc1ccc(C#N)nc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001127504815 771379237 /nfs/dbraw/zinc/37/92/37/771379237.db2.gz CBWGUGIHMAJSIS-UHFFFAOYSA-N 1 2 328.376 0.806 20 30 ECEDLO N#Cc1cnc(N2CCCO[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC001089547301 771446480 /nfs/dbraw/zinc/44/64/80/771446480.db2.gz DXZFZOTWCUNDAY-ZDUSSCGKSA-N 1 2 341.375 0.026 20 30 ECEDLO CN1CCOC[C@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031621698 771482424 /nfs/dbraw/zinc/48/24/24/771482424.db2.gz MSCXQFCLSPRVKZ-KRWDZBQOSA-N 1 2 346.406 0.576 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031622037 771484648 /nfs/dbraw/zinc/48/46/48/771484648.db2.gz SNHQLERWNIIPMY-OAHLLOKOSA-N 1 2 334.445 0.498 20 30 ECEDLO N#Cc1nccc(N2CCCO[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001089558057 771487448 /nfs/dbraw/zinc/48/74/48/771487448.db2.gz IDAXGWXXENSIEV-CYBMUJFWSA-N 1 2 341.375 0.026 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)c1 ZINC000994631773 771498657 /nfs/dbraw/zinc/49/86/57/771498657.db2.gz UBRGULCFJDYKJC-CQSZACIVSA-N 1 2 349.394 0.463 20 30 ECEDLO N#Cc1ccc(N[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)nn1 ZINC001056727001 771561381 /nfs/dbraw/zinc/56/13/81/771561381.db2.gz CMOXJNRIEZFGNU-TZMCWYRMSA-N 1 2 337.387 0.820 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H](n2cc(C[NH2+][C@H]3CCNC3=O)nn2)C1 ZINC001089585613 771589719 /nfs/dbraw/zinc/58/97/19/771589719.db2.gz APJYYDNBKXMXIV-KBPBESRZSA-N 1 2 346.435 0.242 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001056781672 771633204 /nfs/dbraw/zinc/63/32/04/771633204.db2.gz HBOWBHFZZHSJNM-JHJVBQTASA-N 1 2 337.387 0.320 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H](N(C)c2ncnc3c2C[N@H+](C)CC3)C1 ZINC001056870965 771746067 /nfs/dbraw/zinc/74/60/67/771746067.db2.gz FCKUMFCDRYLDHO-CHWSQXEVSA-N 1 2 328.420 0.661 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H](N(C)c2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001056870965 771746069 /nfs/dbraw/zinc/74/60/69/771746069.db2.gz FCKUMFCDRYLDHO-CHWSQXEVSA-N 1 2 328.420 0.661 20 30 ECEDLO CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001056906791 771791338 /nfs/dbraw/zinc/79/13/38/771791338.db2.gz PVCQYHZGGUNTTD-GFCCVEGCSA-N 1 2 325.376 0.741 20 30 ECEDLO O=C(C#CC1CC1)N1CCO[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001019930744 772037275 /nfs/dbraw/zinc/03/72/75/772037275.db2.gz UOIXFACIMXMTON-HOTGVXAUSA-N 1 2 342.399 0.194 20 30 ECEDLO CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001057074569 772041772 /nfs/dbraw/zinc/04/17/72/772041772.db2.gz KQHFENJNZJQLLH-AWEZNQCLSA-N 1 2 339.403 0.752 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CCCN(c2cnc(C#N)cn2)CC1 ZINC001057165217 772202057 /nfs/dbraw/zinc/20/20/57/772202057.db2.gz IPHAQWJILRCTEJ-UHFFFAOYSA-N 1 2 339.403 0.753 20 30 ECEDLO Cc1cc(C#N)nc(NC2CCN(C(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001057342189 772488173 /nfs/dbraw/zinc/48/81/73/772488173.db2.gz ZLHKTDHBNPTDRJ-UHFFFAOYSA-N 1 2 325.376 0.956 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)CCc1[nH]cc[nH+]1 ZINC001057459898 772646167 /nfs/dbraw/zinc/64/61/67/772646167.db2.gz PEEDGQKALIZZQX-UONOGXRCSA-N 1 2 336.436 0.738 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NCCN(CCO)C(=O)CCc1[nH]cc[nH+]1 ZINC001057459881 772646270 /nfs/dbraw/zinc/64/62/70/772646270.db2.gz OTBXBLIOZNBKPQ-QGZVFWFLSA-N 1 2 336.436 0.882 20 30 ECEDLO CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001057525074 772717778 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Cn1c[nH+]cc1CC(=O)NC1CCN(c2cnc(C#N)cn2)CC1 ZINC001057885069 773130666 /nfs/dbraw/zinc/13/06/66/773130666.db2.gz BJWLNXYCEJHDMM-UHFFFAOYSA-N 1 2 325.376 0.409 20 30 ECEDLO CCc1nc(C#N)cc(N2CCC(NC(=O)Cc3c[nH]c[nH+]3)CC2)n1 ZINC001057959647 773287518 /nfs/dbraw/zinc/28/75/18/773287518.db2.gz QBGZVUDEBUGYEU-UHFFFAOYSA-N 1 2 339.403 0.961 20 30 ECEDLO C=CCn1cccc1C(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1 ZINC001057998930 773355070 /nfs/dbraw/zinc/35/50/70/773355070.db2.gz NKTMFSWLSXPIJW-UHFFFAOYSA-N 1 2 345.403 0.122 20 30 ECEDLO C=CCCCC(=O)NCCN(CCO)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001058160913 773667970 /nfs/dbraw/zinc/66/79/70/773667970.db2.gz POKLUYXRGJENOT-UHFFFAOYSA-N 1 2 336.436 0.981 20 30 ECEDLO Cc1cc(C#N)nc(N2CCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001058189922 773736437 /nfs/dbraw/zinc/73/64/37/773736437.db2.gz TYCLYVMDYAPAEB-GFCCVEGCSA-N 1 2 325.376 0.708 20 30 ECEDLO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001058304239 773938715 /nfs/dbraw/zinc/93/87/15/773938715.db2.gz 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/nfs/dbraw/zinc/28/19/35/784281935.db2.gz RIMCHYGIRNMNPC-UHFFFAOYSA-N 1 2 347.463 0.823 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2cn(C)nc2CC)CC1 ZINC001070972902 784281943 /nfs/dbraw/zinc/28/19/43/784281943.db2.gz RIMCHYGIRNMNPC-UHFFFAOYSA-N 1 2 347.463 0.823 20 30 ECEDLO C=CCN1CCNC(=O)CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001070976524 784291495 /nfs/dbraw/zinc/29/14/95/784291495.db2.gz GWIMJFLVJFGWAA-OAHLLOKOSA-N 1 2 345.447 0.282 20 30 ECEDLO C=CCN1CCNC(=O)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001071004972 784384792 /nfs/dbraw/zinc/38/47/92/784384792.db2.gz YVBIDQRPAGPQPP-HNNXBMFYSA-N 1 2 333.436 0.671 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccn(CC)n2)CC1 ZINC001071006038 784388208 /nfs/dbraw/zinc/38/82/08/784388208.db2.gz RGJMPERPHVGDLD-UHFFFAOYSA-N 1 2 331.420 0.190 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccn(CC)n2)CC1 ZINC001071006038 784388219 /nfs/dbraw/zinc/38/82/19/784388219.db2.gz RGJMPERPHVGDLD-UHFFFAOYSA-N 1 2 331.420 0.190 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2c(C)n[nH]c2C)CC1 ZINC001071020672 784439326 /nfs/dbraw/zinc/43/93/26/784439326.db2.gz OOAIVUGTZAZZGK-UHFFFAOYSA-N 1 2 347.463 0.796 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCc2c(C)n[nH]c2C)CC1 ZINC001071020672 784439331 /nfs/dbraw/zinc/43/93/31/784439331.db2.gz OOAIVUGTZAZZGK-UHFFFAOYSA-N 1 2 347.463 0.796 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)n2nc(C)cc2C)CC1 ZINC001071022973 784448469 /nfs/dbraw/zinc/44/84/69/784448469.db2.gz KITKQRQXAGMWFC-INIZCTEOSA-N 1 2 347.463 0.897 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)n2nc(C)cc2C)CC1 ZINC001071022973 784448470 /nfs/dbraw/zinc/44/84/70/784448470.db2.gz KITKQRQXAGMWFC-INIZCTEOSA-N 1 2 347.463 0.897 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2nn(CC)nc2C)CC1 ZINC001071024565 784451894 /nfs/dbraw/zinc/45/18/94/784451894.db2.gz ZPSNRHWWKQTMKM-UHFFFAOYSA-N 1 2 348.451 0.447 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2nn(CC)nc2C)CC1 ZINC001071024565 784451900 /nfs/dbraw/zinc/45/19/00/784451900.db2.gz ZPSNRHWWKQTMKM-UHFFFAOYSA-N 1 2 348.451 0.447 20 30 ECEDLO Cc1nnc(CN[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2c[nH+]cn2C)o1 ZINC001070630536 784462782 /nfs/dbraw/zinc/46/27/82/784462782.db2.gz VDRIQFYMSSWBDM-CYZMBNFOSA-N 1 2 343.391 0.355 20 30 ECEDLO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2cncn2C)o1 ZINC001070630536 784462787 /nfs/dbraw/zinc/46/27/87/784462787.db2.gz VDRIQFYMSSWBDM-CYZMBNFOSA-N 1 2 343.391 0.355 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001071057161 784494032 /nfs/dbraw/zinc/49/40/32/784494032.db2.gz FUWCTYNGXVQADC-CXAGYDPISA-N 1 2 334.420 0.695 20 30 ECEDLO C#CC[NH2+][C@@H]1CN(C(=O)c2cccc3nn[nH]c32)C[C@H]1c1cncn1C ZINC001070652251 784499613 /nfs/dbraw/zinc/49/96/13/784499613.db2.gz JAYGEXGFECXSTA-UKRRQHHQSA-N 1 2 349.398 0.522 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@]2(C)CCCOC2)C[C@H]1NCC#N ZINC001070706397 784573370 /nfs/dbraw/zinc/57/33/70/784573370.db2.gz PDVIYUOFPURKOZ-CPUCHLNUSA-N 1 2 331.420 0.644 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001070726526 784603610 /nfs/dbraw/zinc/60/36/10/784603610.db2.gz BVVFPOCDXQGZBX-UONOGXRCSA-N 1 2 332.404 0.488 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N1C[C@@H](C)O[C@@]2(CCN(CC#N)C2)C1 ZINC001071180804 784679632 /nfs/dbraw/zinc/67/96/32/784679632.db2.gz RJGVOFTUTSYPEB-RDTXWAMCSA-N 1 2 344.415 0.848 20 30 ECEDLO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1cnn[nH]1)C[C@H](C)O2 ZINC001071212418 784749542 /nfs/dbraw/zinc/74/95/42/784749542.db2.gz XHHXNTHOYCHIPJ-YOEHRIQHSA-N 1 2 331.420 0.452 20 30 ECEDLO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCc1cnn[nH]1)C[C@H](C)O2 ZINC001071212418 784749544 /nfs/dbraw/zinc/74/95/44/784749544.db2.gz XHHXNTHOYCHIPJ-YOEHRIQHSA-N 1 2 331.420 0.452 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@]2(CCN(CC#N)C2)O1 ZINC001071235205 784801000 /nfs/dbraw/zinc/80/10/00/784801000.db2.gz AWFYXNDTLIWYOX-PBHICJAKSA-N 1 2 331.420 0.568 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)C3CCOCC3)C2)C(=O)C1 ZINC001071251767 784838611 /nfs/dbraw/zinc/83/86/11/784838611.db2.gz HQWOYKUVZRRMEF-QGZVFWFLSA-N 1 2 347.459 0.572 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)C3CCOCC3)C2)C(=O)C1 ZINC001071251767 784838615 /nfs/dbraw/zinc/83/86/15/784838615.db2.gz HQWOYKUVZRRMEF-QGZVFWFLSA-N 1 2 347.459 0.572 20 30 ECEDLO N#CCN1CCN([C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C(=O)C1 ZINC001071265239 784886701 /nfs/dbraw/zinc/88/67/01/784886701.db2.gz BXDVQHPLEHKCPB-HNNXBMFYSA-N 1 2 344.419 0.001 20 30 ECEDLO N#CCN1CCN([C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C(=O)C1 ZINC001071265239 784886706 /nfs/dbraw/zinc/88/67/06/784886706.db2.gz BXDVQHPLEHKCPB-HNNXBMFYSA-N 1 2 344.419 0.001 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@H]3CC34CC4)C2)C(=O)C1 ZINC001071273905 784910608 /nfs/dbraw/zinc/91/06/08/784910608.db2.gz KHWMADBVXMVCAV-HZPDHXFCSA-N 1 2 329.444 0.945 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@H]3CC34CC4)C2)C(=O)C1 ZINC001071273905 784910613 /nfs/dbraw/zinc/91/06/13/784910613.db2.gz KHWMADBVXMVCAV-HZPDHXFCSA-N 1 2 329.444 0.945 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3ccncn3)C2)C(=O)C1 ZINC001071275661 784916219 /nfs/dbraw/zinc/91/62/19/784916219.db2.gz MVJGCJCNKALHLF-OAHLLOKOSA-N 1 2 341.415 0.249 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3ccncn3)C2)C(=O)C1 ZINC001071275661 784916225 /nfs/dbraw/zinc/91/62/25/784916225.db2.gz MVJGCJCNKALHLF-OAHLLOKOSA-N 1 2 341.415 0.249 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3ccn(C)n3)C2)C(=O)C1 ZINC001071277284 784923930 /nfs/dbraw/zinc/92/39/30/784923930.db2.gz OUKLAGGZYUYGBT-OAHLLOKOSA-N 1 2 343.431 0.192 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3ccn(C)n3)C2)C(=O)C1 ZINC001071277284 784923934 /nfs/dbraw/zinc/92/39/34/784923934.db2.gz OUKLAGGZYUYGBT-OAHLLOKOSA-N 1 2 343.431 0.192 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@@H]1C ZINC001071519090 785238786 /nfs/dbraw/zinc/23/87/86/785238786.db2.gz VFXVQYPLIJGDRD-WDEREUQCSA-N 1 2 340.815 0.099 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@@H]1C ZINC001071519090 785238789 /nfs/dbraw/zinc/23/87/89/785238789.db2.gz VFXVQYPLIJGDRD-WDEREUQCSA-N 1 2 340.815 0.099 20 30 ECEDLO C=CCOCCCC(=O)N1C[C@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001071875940 785255044 /nfs/dbraw/zinc/25/50/44/785255044.db2.gz ZYAMMDMPEXOLLK-GOEBONIOSA-N 1 2 348.447 0.909 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3cnnn3C)C2)nn1 ZINC001071879747 785262004 /nfs/dbraw/zinc/26/20/04/785262004.db2.gz JTPNYJKEVQLHGG-CHWSQXEVSA-N 1 2 344.423 0.376 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3cnnn3C)C2)nn1 ZINC001071879747 785262009 /nfs/dbraw/zinc/26/20/09/785262009.db2.gz JTPNYJKEVQLHGG-CHWSQXEVSA-N 1 2 344.423 0.376 20 30 ECEDLO C=CCC[N@H+]1C[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC[C@H]1C ZINC001071908359 785308723 /nfs/dbraw/zinc/30/87/23/785308723.db2.gz SUFNLYXXHMVXCR-CHWSQXEVSA-N 1 2 344.419 0.616 20 30 ECEDLO C=CCC[N@@H+]1C[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC[C@H]1C ZINC001071908359 785308734 /nfs/dbraw/zinc/30/87/34/785308734.db2.gz SUFNLYXXHMVXCR-CHWSQXEVSA-N 1 2 344.419 0.616 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001071659145 785466227 /nfs/dbraw/zinc/46/62/27/785466227.db2.gz SSDCYGWKBZVXQU-QWHCGFSZSA-N 1 2 335.433 0.493 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001071661155 785470802 /nfs/dbraw/zinc/47/08/02/785470802.db2.gz GQUHTKXCCCYWEM-NEPJUHHUSA-N 1 2 335.433 0.562 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CC[C@H]1C ZINC001072069739 785615895 /nfs/dbraw/zinc/61/58/95/785615895.db2.gz LEAANJCVBGHGGX-GHMZBOCLSA-N 1 2 340.811 0.821 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CC[C@H]1C ZINC001072069739 785615899 /nfs/dbraw/zinc/61/58/99/785615899.db2.gz LEAANJCVBGHGGX-GHMZBOCLSA-N 1 2 340.811 0.821 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001072093519 785657345 /nfs/dbraw/zinc/65/73/45/785657345.db2.gz HNAZQVJXIMKBIP-DZGCQCFKSA-N 1 2 332.404 0.345 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H](C)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001072093519 785657352 /nfs/dbraw/zinc/65/73/52/785657352.db2.gz HNAZQVJXIMKBIP-DZGCQCFKSA-N 1 2 332.404 0.345 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H](NC(=O)CCn2cc[nH+]c2)[C@@H](C)C1 ZINC001072101620 785671163 /nfs/dbraw/zinc/67/11/63/785671163.db2.gz QAEYBTJFPWPMFB-GJZGRUSLSA-N 1 2 332.404 0.276 20 30 ECEDLO C=CCCOCC(=O)N1C[C@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001072336016 786041194 /nfs/dbraw/zinc/04/11/94/786041194.db2.gz IGWBQKBEALVVSJ-SWLSCSKDSA-N 1 2 334.420 0.816 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001072372399 786096611 /nfs/dbraw/zinc/09/66/11/786096611.db2.gz IBTIRSAEMNDSEP-HUUCEWRRSA-N 1 2 334.420 0.829 20 30 ECEDLO CS(=O)(=O)CC(=O)N1CC2(C1)CC[N@H+](Cc1ccc(C#N)cc1)C2 ZINC001072526309 786329097 /nfs/dbraw/zinc/32/90/97/786329097.db2.gz TXFDGIWQALNURG-UHFFFAOYSA-N 1 2 347.440 0.637 20 30 ECEDLO CS(=O)(=O)CC(=O)N1CC2(C1)CC[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC001072526309 786329101 /nfs/dbraw/zinc/32/91/01/786329101.db2.gz TXFDGIWQALNURG-UHFFFAOYSA-N 1 2 347.440 0.637 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3cccc(C)c3=O)C[C@H]21 ZINC001074242480 786491610 /nfs/dbraw/zinc/49/16/10/786491610.db2.gz YLBCZJOPHZHEPX-IAGOWNOFSA-N 1 2 343.427 0.482 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3cccc(C)c3=O)C[C@H]21 ZINC001074242480 786491615 /nfs/dbraw/zinc/49/16/15/786491615.db2.gz YLBCZJOPHZHEPX-IAGOWNOFSA-N 1 2 343.427 0.482 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccn4nnnc34)C[C@H]21 ZINC001074251723 786520378 /nfs/dbraw/zinc/52/03/78/786520378.db2.gz BQUROIWBNDSGLT-CABCVRRESA-N 1 2 342.403 0.616 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3cccn4nnnc34)C[C@H]21 ZINC001074251723 786520385 /nfs/dbraw/zinc/52/03/85/786520385.db2.gz BQUROIWBNDSGLT-CABCVRRESA-N 1 2 342.403 0.616 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc4n[nH]nc4n3)C[C@H]21 ZINC001074260703 786536884 /nfs/dbraw/zinc/53/68/84/786536884.db2.gz YTIYAFGOQMAGHR-CABCVRRESA-N 1 2 340.387 0.292 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc4n[nH]nc4n3)C[C@H]21 ZINC001074260703 786536886 /nfs/dbraw/zinc/53/68/86/786536886.db2.gz YTIYAFGOQMAGHR-CABCVRRESA-N 1 2 340.387 0.292 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnn4ncccc34)C[C@H]21 ZINC001074265999 786544622 /nfs/dbraw/zinc/54/46/22/786544622.db2.gz CZQJFXLOSUJLRH-SJORKVTESA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnn4ncccc34)C[C@H]21 ZINC001074265999 786544630 /nfs/dbraw/zinc/54/46/30/786544630.db2.gz CZQJFXLOSUJLRH-SJORKVTESA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccnn3CCOC)C[C@H]21 ZINC001074273586 786563055 /nfs/dbraw/zinc/56/30/55/786563055.db2.gz LOBNIWPVAJTJPV-SJORKVTESA-N 1 2 346.431 0.468 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccnn3CCOC)C[C@H]21 ZINC001074273586 786563060 /nfs/dbraw/zinc/56/30/60/786563060.db2.gz LOBNIWPVAJTJPV-SJORKVTESA-N 1 2 346.431 0.468 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)nc3COC)C[C@@H]21 ZINC001074279101 786575347 /nfs/dbraw/zinc/57/53/47/786575347.db2.gz FZVWALZJULEGTC-DLBZAZTESA-N 1 2 346.431 0.505 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C)nc3COC)C[C@@H]21 ZINC001074279101 786575352 /nfs/dbraw/zinc/57/53/52/786575352.db2.gz FZVWALZJULEGTC-DLBZAZTESA-N 1 2 346.431 0.505 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C[C@H]21 ZINC001074285643 786596326 /nfs/dbraw/zinc/59/63/26/786596326.db2.gz FEBFCXKXHROFJE-CVEARBPZSA-N 1 2 346.431 0.615 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C[C@H]21 ZINC001074285643 786596332 /nfs/dbraw/zinc/59/63/32/786596332.db2.gz FEBFCXKXHROFJE-CVEARBPZSA-N 1 2 346.431 0.615 20 30 ECEDLO C#CCCCC(=O)N1CCN(C2CN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001073567512 786628818 /nfs/dbraw/zinc/62/88/18/786628818.db2.gz PJTSMVDHOWUPPG-UHFFFAOYSA-N 1 2 343.431 0.042 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3cn(CC)nn3)C[C@@H]21 ZINC001074301729 786629735 /nfs/dbraw/zinc/62/97/35/786629735.db2.gz GBMHDGRCZCIDRI-JKSUJKDBSA-N 1 2 331.420 0.166 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3cn(CC)nn3)C[C@@H]21 ZINC001074301729 786629742 /nfs/dbraw/zinc/62/97/42/786629742.db2.gz GBMHDGRCZCIDRI-JKSUJKDBSA-N 1 2 331.420 0.166 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cnnn2CC)C1 ZINC001073595137 786727373 /nfs/dbraw/zinc/72/73/73/786727373.db2.gz HVXNGQXEKHHSJV-LBPRGKRZSA-N 1 2 327.816 0.871 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2cnnn2CC)C1 ZINC001073595137 786727377 /nfs/dbraw/zinc/72/73/77/786727377.db2.gz HVXNGQXEKHHSJV-LBPRGKRZSA-N 1 2 327.816 0.871 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cn(CC=C)nn3)C[C@H]21 ZINC001074353025 786736483 /nfs/dbraw/zinc/73/64/83/786736483.db2.gz BAPZCSYHZUBEJJ-CVEARBPZSA-N 1 2 329.404 0.403 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(CC=C)nn3)C[C@H]21 ZINC001074353025 786736490 /nfs/dbraw/zinc/73/64/90/786736490.db2.gz BAPZCSYHZUBEJJ-CVEARBPZSA-N 1 2 329.404 0.403 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnc4cccnn43)C[C@H]21 ZINC001074354179 786739839 /nfs/dbraw/zinc/73/98/39/786739839.db2.gz MJMXUKMGZFCFBG-CVEARBPZSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnc4cccnn43)C[C@H]21 ZINC001074354179 786739857 /nfs/dbraw/zinc/73/98/57/786739857.db2.gz MJMXUKMGZFCFBG-CVEARBPZSA-N 1 2 339.399 0.668 20 30 ECEDLO C=C(C)CCC(=O)N1CC(N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001073607416 786762546 /nfs/dbraw/zinc/76/25/46/786762546.db2.gz TVZHOBGNYLAEAC-UHFFFAOYSA-N 1 2 345.447 0.664 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCc3ncccn3)C[C@H]21 ZINC001074365985 786768426 /nfs/dbraw/zinc/76/84/26/786768426.db2.gz MJNUZYRQZUASJP-CVEARBPZSA-N 1 2 328.416 0.734 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCc3ncccn3)C[C@H]21 ZINC001074365985 786768429 /nfs/dbraw/zinc/76/84/29/786768429.db2.gz MJNUZYRQZUASJP-CVEARBPZSA-N 1 2 328.416 0.734 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC(=O)N(CC)C2)C1 ZINC001073629731 786811354 /nfs/dbraw/zinc/81/13/54/786811354.db2.gz DWLUIUZKVJNCIS-UONOGXRCSA-N 1 2 343.855 0.814 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC(=O)N(CC)C2)C1 ZINC001073629731 786811360 /nfs/dbraw/zinc/81/13/60/786811360.db2.gz DWLUIUZKVJNCIS-UONOGXRCSA-N 1 2 343.855 0.814 20 30 ECEDLO C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC001073630247 786814151 /nfs/dbraw/zinc/81/41/51/786814151.db2.gz QDVNRSHKMHGDLM-CABCVRRESA-N 1 2 344.477 0.737 20 30 ECEDLO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC001073630247 786814162 /nfs/dbraw/zinc/81/41/62/786814162.db2.gz QDVNRSHKMHGDLM-CABCVRRESA-N 1 2 344.477 0.737 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4n[nH]nc4c3)C[C@@H]21 ZINC001074404785 786875557 /nfs/dbraw/zinc/87/55/57/786875557.db2.gz IBTRQDHCSUTSPY-DLBZAZTESA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4n[nH]nc4c3)C[C@@H]21 ZINC001074404785 786875566 /nfs/dbraw/zinc/87/55/66/786875566.db2.gz IBTRQDHCSUTSPY-DLBZAZTESA-N 1 2 339.399 0.897 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001073729531 787074377 /nfs/dbraw/zinc/07/43/77/787074377.db2.gz ORTALVHRLFWGGP-STQMWFEESA-N 1 2 329.828 0.424 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001073729531 787074384 /nfs/dbraw/zinc/07/43/84/787074384.db2.gz ORTALVHRLFWGGP-STQMWFEESA-N 1 2 329.828 0.424 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1NC(=O)CSCC#N ZINC001073744620 787107016 /nfs/dbraw/zinc/10/70/16/787107016.db2.gz ONLVYSLEEMWLIG-CHWSQXEVSA-N 1 2 349.460 0.952 20 30 ECEDLO C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2[nH]nc3c2C[C@H](C)CC3)C1 ZINC001073837830 787318689 /nfs/dbraw/zinc/31/86/89/787318689.db2.gz VJECXALFCDTOLD-KGLIPLIRSA-N 1 2 330.432 0.988 20 30 ECEDLO C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2[nH]nc3c2C[C@H](C)CC3)C1 ZINC001073837830 787318706 /nfs/dbraw/zinc/31/87/06/787318706.db2.gz VJECXALFCDTOLD-KGLIPLIRSA-N 1 2 330.432 0.988 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001073886416 787436741 /nfs/dbraw/zinc/43/67/41/787436741.db2.gz NVAZUVHPQVSICA-GFCCVEGCSA-N 1 2 340.811 0.687 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001073886416 787436746 /nfs/dbraw/zinc/43/67/46/787436746.db2.gz NVAZUVHPQVSICA-GFCCVEGCSA-N 1 2 340.811 0.687 20 30 ECEDLO C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001073886464 787437852 /nfs/dbraw/zinc/43/78/52/787437852.db2.gz PFQYYDPIFGTLHR-AWEZNQCLSA-N 1 2 327.388 0.802 20 30 ECEDLO C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3[nH]nnc3c2)C1 ZINC001073886464 787437856 /nfs/dbraw/zinc/43/78/56/787437856.db2.gz PFQYYDPIFGTLHR-AWEZNQCLSA-N 1 2 327.388 0.802 20 30 ECEDLO C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001074629507 787446958 /nfs/dbraw/zinc/44/69/58/787446958.db2.gz BJAPMTRKAPYLTB-YNEHKIRRSA-N 1 2 345.403 0.143 20 30 ECEDLO C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001074629507 787446963 /nfs/dbraw/zinc/44/69/63/787446963.db2.gz BJAPMTRKAPYLTB-YNEHKIRRSA-N 1 2 345.403 0.143 20 30 ECEDLO C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001074630101 787448173 /nfs/dbraw/zinc/44/81/73/787448173.db2.gz APVVCFASOWLFBY-CQSZACIVSA-N 1 2 347.419 0.293 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001074076577 787816823 /nfs/dbraw/zinc/81/68/23/787816823.db2.gz HUGFRHKYSFDDMO-ZBFHGGJFSA-N 1 2 346.431 0.356 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)CSCC#N)CCN1C(=O)Cc1c[nH+]cn1C ZINC001074844298 788421803 /nfs/dbraw/zinc/42/18/03/788421803.db2.gz YGAPBJMJNPDKCN-STQMWFEESA-N 1 2 349.460 0.715 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001075045664 788793100 /nfs/dbraw/zinc/79/31/00/788793100.db2.gz LXORCLXOSLUCPT-GJZGRUSLSA-N 1 2 332.404 0.419 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001075087848 788882770 /nfs/dbraw/zinc/88/27/70/788882770.db2.gz CCVMOYFGIDLRQW-UKRRQHHQSA-N 1 2 346.431 0.796 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[N@H+](Cc1nc(=O)n(C)[nH]1)C2 ZINC001072944557 789147830 /nfs/dbraw/zinc/14/78/30/789147830.db2.gz GFLDDKZKOZZCOM-INIZCTEOSA-N 1 2 333.436 0.745 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+](Cc1nc(=O)n(C)[nH]1)C2 ZINC001072944557 789147833 /nfs/dbraw/zinc/14/78/33/789147833.db2.gz GFLDDKZKOZZCOM-INIZCTEOSA-N 1 2 333.436 0.745 20 30 ECEDLO C=CCn1cc(C(=O)N2CC3(C2)CC[N@@H+](Cc2nccn2C)C3)nn1 ZINC001073043152 789334204 /nfs/dbraw/zinc/33/42/04/789334204.db2.gz ORGGADCHADQHST-UHFFFAOYSA-N 1 2 341.419 0.546 20 30 ECEDLO C=CCn1cc(C(=O)N2CC3(C2)CC[N@H+](Cc2nccn2C)C3)nn1 ZINC001073043152 789334211 /nfs/dbraw/zinc/33/42/11/789334211.db2.gz ORGGADCHADQHST-UHFFFAOYSA-N 1 2 341.419 0.546 20 30 ECEDLO C[C@@H]1C[C@@H](Nc2ccnc(C#N)n2)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001069220959 789673437 /nfs/dbraw/zinc/67/34/37/789673437.db2.gz HFHFCFQLHCSMKP-DGCLKSJQSA-N 1 2 325.376 0.527 20 30 ECEDLO C[C@@H]1C[C@@H](Nc2ccnc(C#N)n2)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001069220959 789673440 /nfs/dbraw/zinc/67/34/40/789673440.db2.gz HFHFCFQLHCSMKP-DGCLKSJQSA-N 1 2 325.376 0.527 20 30 ECEDLO N#Cc1cncc(N2CC[C@]3(NC(=O)Cc4c[nH]c[nH+]4)CCC[C@H]23)n1 ZINC001069291858 789736002 /nfs/dbraw/zinc/73/60/02/789736002.db2.gz SIBXCUPBVYZZLU-WMLDXEAASA-N 1 2 337.387 0.932 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCCN1c1ccc(C#N)nn1 ZINC001069376108 789783686 /nfs/dbraw/zinc/78/36/86/789783686.db2.gz SGUDESBEAVOFSA-JSGCOSHPSA-N 1 2 325.376 0.718 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC001073392953 789784127 /nfs/dbraw/zinc/78/41/27/789784127.db2.gz BPUOBVKWNYDLFN-KGLIPLIRSA-N 1 2 346.431 0.734 20 30 ECEDLO C[C@H]1[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1c1ccc(C#N)nn1 ZINC001069383488 789789569 /nfs/dbraw/zinc/78/95/69/789789569.db2.gz KJCYZKJHBVQRLG-WCQYABFASA-N 1 2 325.376 0.788 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC1(CC)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001069566823 789905791 /nfs/dbraw/zinc/90/57/91/789905791.db2.gz UAEDSBORLPCDSJ-AWEZNQCLSA-N 1 2 346.431 0.878 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3c[nH]c(=O)cn3)c2C1 ZINC001069871874 790133506 /nfs/dbraw/zinc/13/35/06/790133506.db2.gz PRYYSNRNKSCYKB-UHFFFAOYSA-N 1 2 328.376 0.288 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3c[nH]c(=O)cn3)c2C1 ZINC001069871874 790133508 /nfs/dbraw/zinc/13/35/08/790133508.db2.gz PRYYSNRNKSCYKB-UHFFFAOYSA-N 1 2 328.376 0.288 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnn(CC)c2)[C@@H](n2ccnn2)C1 ZINC001069904069 790173159 /nfs/dbraw/zinc/17/31/59/790173159.db2.gz GOLLYLBSCOGHGS-CABCVRRESA-N 1 2 327.392 0.173 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC)c2)[C@@H](n2ccnn2)C1 ZINC001069904069 790173161 /nfs/dbraw/zinc/17/31/61/790173161.db2.gz GOLLYLBSCOGHGS-CABCVRRESA-N 1 2 327.392 0.173 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnc(C3CC3)o2)[C@@H](n2ccnn2)C1 ZINC001069948050 790228059 /nfs/dbraw/zinc/22/80/59/790228059.db2.gz CGKWLPLWRMHALP-OLZOCXBDSA-N 1 2 328.376 0.985 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cnc(C3CC3)o2)[C@@H](n2ccnn2)C1 ZINC001069948050 790228062 /nfs/dbraw/zinc/22/80/62/790228062.db2.gz CGKWLPLWRMHALP-OLZOCXBDSA-N 1 2 328.376 0.985 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cn(C)nc2CC)[C@@H](n2ccnn2)C1 ZINC001069952507 790234177 /nfs/dbraw/zinc/23/41/77/790234177.db2.gz PRDVCCIEFKIDSI-CVEARBPZSA-N 1 2 341.419 0.253 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2CC)[C@@H](n2ccnn2)C1 ZINC001069952507 790234183 /nfs/dbraw/zinc/23/41/83/790234183.db2.gz PRDVCCIEFKIDSI-CVEARBPZSA-N 1 2 341.419 0.253 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc3cccn3cn2)[C@@H](n2ccnn2)C1 ZINC001069957132 790238913 /nfs/dbraw/zinc/23/89/13/790238913.db2.gz RFGCVVZTBNIUQL-SJORKVTESA-N 1 2 349.398 0.604 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc3cccn3cn2)[C@@H](n2ccnn2)C1 ZINC001069957132 790238917 /nfs/dbraw/zinc/23/89/17/790238917.db2.gz RFGCVVZTBNIUQL-SJORKVTESA-N 1 2 349.398 0.604 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)nnc2CC)[C@@H](n2ccnn2)C1 ZINC001069963501 790248181 /nfs/dbraw/zinc/24/81/81/790248181.db2.gz JTWALBHMVJIHJA-CVEARBPZSA-N 1 2 339.403 0.227 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)nnc2CC)[C@@H](n2ccnn2)C1 ZINC001069963501 790248186 /nfs/dbraw/zinc/24/81/86/790248186.db2.gz JTWALBHMVJIHJA-CVEARBPZSA-N 1 2 339.403 0.227 20 30 ECEDLO CC(C)C#CC(=O)N[C@H]1COC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001068858185 791277510 /nfs/dbraw/zinc/27/75/10/791277510.db2.gz ANFVVZSMVAEYRR-CYBMUJFWSA-N 1 2 330.388 0.098 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)C[C@H](NC(=O)Cn1cc[nH+]c1)CO2 ZINC001068915086 791409247 /nfs/dbraw/zinc/40/92/47/791409247.db2.gz HSYWJCGZDBGVBG-CABCVRRESA-N 1 2 346.431 0.972 20 30 ECEDLO C=C(C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)Cn1cc[nH+]c1)CO2 ZINC001068915610 791410955 /nfs/dbraw/zinc/41/09/55/791410955.db2.gz LGWKZYAQGZLRFQ-CQSZACIVSA-N 1 2 332.404 0.726 20 30 ECEDLO C[C@H]1C[C@H](Nc2ccnc(C#N)n2)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001069080710 791686159 /nfs/dbraw/zinc/68/61/59/791686159.db2.gz XRLZAQRAVCFUEQ-RYUDHWBXSA-N 1 2 325.376 0.527 20 30 ECEDLO N#Cc1nccnc1NC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001066687514 791990664 /nfs/dbraw/zinc/99/06/64/791990664.db2.gz MLDLWWVGLBXPOR-CYBMUJFWSA-N 1 2 341.375 0.343 20 30 ECEDLO N#Cc1nccnc1NC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001066687514 791990673 /nfs/dbraw/zinc/99/06/73/791990673.db2.gz MLDLWWVGLBXPOR-CYBMUJFWSA-N 1 2 341.375 0.343 20 30 ECEDLO CC(C)(F)C(=O)N1CC[C@H]([NH+]2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001066697019 792014137 /nfs/dbraw/zinc/01/41/37/792014137.db2.gz XKBXICTUDMONKI-AWEZNQCLSA-N 1 2 346.410 0.819 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(c3cc(F)ncn3)CC2)C1 ZINC001066698290 792018329 /nfs/dbraw/zinc/01/83/29/792018329.db2.gz JRFYOCPFUVTKPO-OLZOCXBDSA-N 1 2 332.383 0.498 20 30 ECEDLO Cc1ccc(N2CC[NH+]([C@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)nn1 ZINC001066698773 792020063 /nfs/dbraw/zinc/02/00/63/792020063.db2.gz OMDZWCWEEFQDLX-ZFWWWQNUSA-N 1 2 328.420 0.668 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1)c1cncc(C#N)n1 ZINC001067765315 792249938 /nfs/dbraw/zinc/24/99/38/792249938.db2.gz JHJUBXKGRCFVEO-CQSZACIVSA-N 1 2 325.376 0.672 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NC1CC(CNc2ccc(C#N)nn2)C1 ZINC001067856969 792381541 /nfs/dbraw/zinc/38/15/41/792381541.db2.gz VAKWOFOXFXKQJX-UHFFFAOYSA-N 1 2 325.376 0.631 20 30 ECEDLO C[C@H]1CCN(c2nccnc2C#N)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067965582 792517178 /nfs/dbraw/zinc/51/71/78/792517178.db2.gz OHYODFQFMOLIAB-JSGCOSHPSA-N 1 2 325.376 0.576 20 30 ECEDLO C[C@@H]1CCN(c2ccnc(C#N)n2)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067966678 792519793 /nfs/dbraw/zinc/51/97/93/792519793.db2.gz FBLFKOCBOULCRD-VXGBXAGGSA-N 1 2 325.376 0.645 20 30 ECEDLO CC1(C)CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001068115811 792698546 /nfs/dbraw/zinc/69/85/46/792698546.db2.gz SKJXIZROIUCDNF-GFCCVEGCSA-N 1 2 325.376 0.576 20 30 ECEDLO Cc1cc(C#N)nc(N[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)n1 ZINC001067114167 792711042 /nfs/dbraw/zinc/71/10/42/792711042.db2.gz PQPDDJMRDLMMTR-FZMZJTMJSA-N 1 2 325.376 0.812 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1Nc1cnc(C#N)cn1 ZINC001067123930 792722820 /nfs/dbraw/zinc/72/28/20/792722820.db2.gz YPMUZLBJJONFTI-RISCZKNCSA-N 1 2 325.376 0.583 20 30 ECEDLO CC1(C)CN(c2cnc(C#N)cn2)C[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001068139894 792735486 /nfs/dbraw/zinc/73/54/86/792735486.db2.gz KQZZMHPUMJQJSQ-ZDUSSCGKSA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@H](Nc1ccc(C#N)cn1)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001068234506 792885134 /nfs/dbraw/zinc/88/51/34/792885134.db2.gz HUNQFSGFHQUGOO-DZGCQCFKSA-N 1 2 340.387 0.878 20 30 ECEDLO C[C@@H](Nc1cncc(C#N)n1)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001068235968 792892685 /nfs/dbraw/zinc/89/26/85/792892685.db2.gz ZNSCWBHIZUVTBN-OCCSQVGLSA-N 1 2 341.375 0.273 20 30 ECEDLO C[C@H](Nc1ccc(C#N)nn1)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001068236337 792894579 /nfs/dbraw/zinc/89/45/79/792894579.db2.gz HJHXLRBJMWLLPK-WCQYABFASA-N 1 2 341.375 0.342 20 30 ECEDLO C[C@@H](Nc1ccc(C#N)nn1)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001068236338 792894791 /nfs/dbraw/zinc/89/47/91/792894791.db2.gz HJHXLRBJMWLLPK-YPMHNXCESA-N 1 2 341.375 0.342 20 30 ECEDLO CN(CCCN(C)C(=O)C(C)(C)[NH+]1CCOCC1)C(=O)C#CC1CC1 ZINC001067373642 793055074 /nfs/dbraw/zinc/05/50/74/793055074.db2.gz CPIOHXGRVDQOMH-UHFFFAOYSA-N 1 2 349.475 0.818 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)n1 ZINC001067403567 793105853 /nfs/dbraw/zinc/10/58/53/793105853.db2.gz OYEZZOQZJHTVCX-IUODEOHRSA-N 1 2 339.403 0.884 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067403943 793107007 /nfs/dbraw/zinc/10/70/07/793107007.db2.gz UBTSPBYRFURZLS-CHWSQXEVSA-N 1 2 325.376 0.576 20 30 ECEDLO C[C@H]1CN(c2cncc(C#N)n2)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067405934 793109227 /nfs/dbraw/zinc/10/92/27/793109227.db2.gz OTDUKCDELQGHDW-WFASDCNBSA-N 1 2 339.403 0.655 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067407635 793111063 /nfs/dbraw/zinc/11/10/63/793111063.db2.gz JFGPNFUDECTZQX-NEPJUHHUSA-N 1 2 325.376 0.645 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)CCc1[nH+]ccn1C ZINC001067427081 793139386 /nfs/dbraw/zinc/13/93/86/793139386.db2.gz KEIUEHMTCUGGDX-OAHLLOKOSA-N 1 2 348.447 0.698 20 30 ECEDLO CC(C)C#CC(=O)N1CC2(C1)CN(C(=O)Cc1c[nH+]cn1C)CCO2 ZINC001068416623 793272443 /nfs/dbraw/zinc/27/24/43/793272443.db2.gz VQLHJZOPWXHNLI-UHFFFAOYSA-N 1 2 344.415 0.062 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CCOC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001068438118 793314350 /nfs/dbraw/zinc/31/43/50/793314350.db2.gz NGUUBIXQAUWOOO-HNNXBMFYSA-N 1 2 346.431 0.925 20 30 ECEDLO C=C(C)C[NH+]1CCN(CCN(C)C(=O)CS(=O)(=O)CC)CC1 ZINC001267577440 837835671 /nfs/dbraw/zinc/83/56/71/837835671.db2.gz OJOHEBHMNLNAIO-UHFFFAOYSA-N 1 2 331.482 0.073 20 30 ECEDLO CC(C)c1noc(C[NH2+]CCN(CCO)C(=O)c2c[nH]c(C#N)c2)n1 ZINC001279695394 837693309 /nfs/dbraw/zinc/69/33/09/837693309.db2.gz MHFJRSAQNDNOQC-UHFFFAOYSA-N 1 2 346.391 0.617 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001267539764 837724983 /nfs/dbraw/zinc/72/49/83/837724983.db2.gz JQKSYUNEVVMKJO-HNNXBMFYSA-N 1 2 341.415 0.562 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001267539764 837725002 /nfs/dbraw/zinc/72/50/02/837725002.db2.gz JQKSYUNEVVMKJO-HNNXBMFYSA-N 1 2 341.415 0.562 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)CC[NH+]1CCN(Cc2cncn2C)CC1 ZINC001267572086 837805609 /nfs/dbraw/zinc/80/56/09/837805609.db2.gz FEZSZICJHFLCIJ-INIZCTEOSA-N 1 2 347.463 0.034 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CCN(C)C(=O)CC(C)(C)C=C)CC1 ZINC001267572603 837809143 /nfs/dbraw/zinc/80/91/43/837809143.db2.gz QONLWJMOUPNKEN-UHFFFAOYSA-N 1 2 348.491 0.414 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CCN(C)C(=O)/C=C(\C)C2CC2)CC1 ZINC001267573474 837814648 /nfs/dbraw/zinc/81/46/48/837814648.db2.gz GPHOSGZAIBONBK-JQIJEIRASA-N 1 2 348.491 0.721 20 30 ECEDLO COc1nccc(CN2CC[NH+](CCNC(=O)C#CC3CC3)CC2)n1 ZINC001266283294 835614201 /nfs/dbraw/zinc/61/42/01/835614201.db2.gz LUCFZBNXOKUEOG-UHFFFAOYSA-N 1 2 343.431 0.132 20 30 ECEDLO CCC(=CC(=O)NCC[NH+]1CCN(CC(=O)NCC#N)CC1)CC ZINC001266283209 835614279 /nfs/dbraw/zinc/61/42/79/835614279.db2.gz ITKIIUCXXUOJPO-UHFFFAOYSA-N 1 2 335.452 0.106 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCC[NH+]1CCN(Cc2cscn2)CC1 ZINC001266283675 835615127 /nfs/dbraw/zinc/61/51/27/835615127.db2.gz SVHGSRGKCYVMID-INIZCTEOSA-N 1 2 338.477 0.704 20 30 ECEDLO C[N@H+](CCNC(=O)C1(c2cccc(F)c2)CC1)CC(=O)NCC#N ZINC001266332659 835714973 /nfs/dbraw/zinc/71/49/73/835714973.db2.gz VQROUXNRCFMMBH-UHFFFAOYSA-N 1 2 332.379 0.545 20 30 ECEDLO C[N@@H+](CCNC(=O)C1(c2cccc(F)c2)CC1)CC(=O)NCC#N ZINC001266332659 835714977 /nfs/dbraw/zinc/71/49/77/835714977.db2.gz VQROUXNRCFMMBH-UHFFFAOYSA-N 1 2 332.379 0.545 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c(C)nn(CCC)c2C)C1 ZINC001266349548 835744025 /nfs/dbraw/zinc/74/40/25/835744025.db2.gz ISMGQWOTPKFNEH-OAHLLOKOSA-N 1 2 345.447 0.463 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c(C)nn(CCC)c2C)C1 ZINC001266349548 835744027 /nfs/dbraw/zinc/74/40/27/835744027.db2.gz ISMGQWOTPKFNEH-OAHLLOKOSA-N 1 2 345.447 0.463 20 30 ECEDLO CC(C)Cc1c[nH]c(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)c1 ZINC001266352513 835752317 /nfs/dbraw/zinc/75/23/17/835752317.db2.gz CQPFQKYRWUJUDJ-CQSZACIVSA-N 1 2 331.420 0.657 20 30 ECEDLO CC(C)Cc1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)c1 ZINC001266352513 835752322 /nfs/dbraw/zinc/75/23/22/835752322.db2.gz CQPFQKYRWUJUDJ-CQSZACIVSA-N 1 2 331.420 0.657 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(CC)c2C2CC2)C1 ZINC001266352542 835752499 /nfs/dbraw/zinc/75/24/99/835752499.db2.gz CWFIAWUPXVVDTA-AWEZNQCLSA-N 1 2 345.447 0.887 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(CC)c2C2CC2)C1 ZINC001266352542 835752509 /nfs/dbraw/zinc/75/25/09/835752509.db2.gz CWFIAWUPXVVDTA-AWEZNQCLSA-N 1 2 345.447 0.887 20 30 ECEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)C2)CCOCC1 ZINC001266356287 835759502 /nfs/dbraw/zinc/75/95/02/835759502.db2.gz SKSGPOLDWODSTL-HNNXBMFYSA-N 1 2 335.448 0.828 20 30 ECEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)C2)CCOCC1 ZINC001266356287 835759506 /nfs/dbraw/zinc/75/95/06/835759506.db2.gz SKSGPOLDWODSTL-HNNXBMFYSA-N 1 2 335.448 0.828 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2ccc(OC)cc2)C1 ZINC001266358998 835766779 /nfs/dbraw/zinc/76/67/79/835766779.db2.gz LCOBXQFKPURAPK-MRXNPFEDSA-N 1 2 343.427 0.568 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2ccc(OC)cc2)C1 ZINC001266358998 835766787 /nfs/dbraw/zinc/76/67/87/835766787.db2.gz LCOBXQFKPURAPK-MRXNPFEDSA-N 1 2 343.427 0.568 20 30 ECEDLO Cc1ccccc1[C@@H](C)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001266360750 835769829 /nfs/dbraw/zinc/76/98/29/835769829.db2.gz BTCWFYRMUYSMJE-CABCVRRESA-N 1 2 328.416 0.929 20 30 ECEDLO Cc1ccccc1[C@@H](C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001266360750 835769837 /nfs/dbraw/zinc/76/98/37/835769837.db2.gz BTCWFYRMUYSMJE-CABCVRRESA-N 1 2 328.416 0.929 20 30 ECEDLO CCCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C#CC1CC1 ZINC001266460750 835863799 /nfs/dbraw/zinc/86/37/99/835863799.db2.gz COKWBMOLXHXNMH-OAHLLOKOSA-N 1 2 348.447 0.606 20 30 ECEDLO CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C#CC1CC1 ZINC001266460750 835863807 /nfs/dbraw/zinc/86/38/07/835863807.db2.gz COKWBMOLXHXNMH-OAHLLOKOSA-N 1 2 348.447 0.606 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1occ2c1CCOC2 ZINC001266474459 835877920 /nfs/dbraw/zinc/87/79/20/835877920.db2.gz OBXHTHRPIFLHPT-CQSZACIVSA-N 1 2 347.415 0.849 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1occ2c1CCOC2 ZINC001266474459 835877921 /nfs/dbraw/zinc/87/79/21/835877921.db2.gz OBXHTHRPIFLHPT-CQSZACIVSA-N 1 2 347.415 0.849 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H](C)OC ZINC001266484110 835883984 /nfs/dbraw/zinc/88/39/84/835883984.db2.gz PMIKQLNJVIEEDX-XUWVNRHRSA-N 1 2 335.448 0.615 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H](C)OC ZINC001266484110 835883992 /nfs/dbraw/zinc/88/39/92/835883992.db2.gz PMIKQLNJVIEEDX-XUWVNRHRSA-N 1 2 335.448 0.615 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)CCC2CCC2)C1 ZINC001279471634 836082356 /nfs/dbraw/zinc/08/23/56/836082356.db2.gz RTIXOFMLKOAEMY-SFHVURJKSA-N 1 2 337.464 0.812 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)CCC2CCC2)C1 ZINC001279471634 836082362 /nfs/dbraw/zinc/08/23/62/836082362.db2.gz RTIXOFMLKOAEMY-SFHVURJKSA-N 1 2 337.464 0.812 20 30 ECEDLO CCc1nc(C(=O)N[C@@]2(CO)CCC[N@H+](CC#CCOC)C2)co1 ZINC001279478789 836139017 /nfs/dbraw/zinc/13/90/17/836139017.db2.gz CKGUREPNPJMHAR-KRWDZBQOSA-N 1 2 335.404 0.444 20 30 ECEDLO CCc1nc(C(=O)N[C@@]2(CO)CCC[N@@H+](CC#CCOC)C2)co1 ZINC001279478789 836139020 /nfs/dbraw/zinc/13/90/20/836139020.db2.gz CKGUREPNPJMHAR-KRWDZBQOSA-N 1 2 335.404 0.444 20 30 ECEDLO Cc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=O)NCC#N)cnn1 ZINC001266839607 836361676 /nfs/dbraw/zinc/36/16/76/836361676.db2.gz FDPRRODLFDCEHT-AWEZNQCLSA-N 1 2 330.392 0.009 20 30 ECEDLO Cc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(=O)NCC#N)cnn1 ZINC001266839607 836361685 /nfs/dbraw/zinc/36/16/85/836361685.db2.gz FDPRRODLFDCEHT-AWEZNQCLSA-N 1 2 330.392 0.009 20 30 ECEDLO C#CCOCCC(=O)N1CCCC[C@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001266868197 836412838 /nfs/dbraw/zinc/41/28/38/836412838.db2.gz UKIMHODKOAYLGV-AWEZNQCLSA-N 1 2 349.435 0.646 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)C[C@H]1Cc2ccccc2O1 ZINC001267198143 836964542 /nfs/dbraw/zinc/96/45/42/836964542.db2.gz FSHYPZLBXFKPOQ-OAHLLOKOSA-N 1 2 331.416 0.730 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)C[C@H]1Cc2ccccc2O1 ZINC001267198143 836964548 /nfs/dbraw/zinc/96/45/48/836964548.db2.gz FSHYPZLBXFKPOQ-OAHLLOKOSA-N 1 2 331.416 0.730 20 30 ECEDLO C[N@H+](CCNC(=O)[C@H]1CCc2ccccc2C1)CC(=O)NCC#N ZINC001267218610 837010265 /nfs/dbraw/zinc/01/02/65/837010265.db2.gz AZKLOERULYISMV-INIZCTEOSA-N 1 2 328.416 0.479 20 30 ECEDLO C[N@@H+](CCNC(=O)[C@H]1CCc2ccccc2C1)CC(=O)NCC#N ZINC001267218610 837010276 /nfs/dbraw/zinc/01/02/76/837010276.db2.gz AZKLOERULYISMV-INIZCTEOSA-N 1 2 328.416 0.479 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1cc(CCC)[nH]c(=O)c1 ZINC001267220832 837013755 /nfs/dbraw/zinc/01/37/55/837013755.db2.gz IOEBDGFZHQMCOU-UHFFFAOYSA-N 1 2 332.404 0.151 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1cc(CCC)[nH]c(=O)c1 ZINC001267220832 837013763 /nfs/dbraw/zinc/01/37/63/837013763.db2.gz IOEBDGFZHQMCOU-UHFFFAOYSA-N 1 2 332.404 0.151 20 30 ECEDLO CC(C)(C)n1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NCC#N)cn1 ZINC001267271657 837113957 /nfs/dbraw/zinc/11/39/57/837113957.db2.gz ZRCFIBXTSQZWOG-CQSZACIVSA-N 1 2 346.435 0.472 20 30 ECEDLO CC(C)(C)n1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NCC#N)cn1 ZINC001267271657 837113961 /nfs/dbraw/zinc/11/39/61/837113961.db2.gz ZRCFIBXTSQZWOG-CQSZACIVSA-N 1 2 346.435 0.472 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1ocnc1CC ZINC001267275013 837117154 /nfs/dbraw/zinc/11/71/54/837117154.db2.gz BONJCDBNWHYDGB-CHWSQXEVSA-N 1 2 332.404 0.569 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1ocnc1CC ZINC001267275013 837117155 /nfs/dbraw/zinc/11/71/55/837117155.db2.gz BONJCDBNWHYDGB-CHWSQXEVSA-N 1 2 332.404 0.569 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C2CC2)on1 ZINC001267277302 837122246 /nfs/dbraw/zinc/12/22/46/837122246.db2.gz VWYXFOIYQOELSI-CYBMUJFWSA-N 1 2 330.388 0.496 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C2CC2)on1 ZINC001267277302 837122254 /nfs/dbraw/zinc/12/22/54/837122254.db2.gz VWYXFOIYQOELSI-CYBMUJFWSA-N 1 2 330.388 0.496 20 30 ECEDLO CC(C)c1ocnc1C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001267280320 837127593 /nfs/dbraw/zinc/12/75/93/837127593.db2.gz TYXDVXTYGHTXGQ-GFCCVEGCSA-N 1 2 333.392 0.632 20 30 ECEDLO CC(C)c1ocnc1C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001267280320 837127602 /nfs/dbraw/zinc/12/76/02/837127602.db2.gz TYXDVXTYGHTXGQ-GFCCVEGCSA-N 1 2 333.392 0.632 20 30 ECEDLO Cc1c(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NCC#N)cnn1C(C)C ZINC001267280529 837127679 /nfs/dbraw/zinc/12/76/79/837127679.db2.gz UEYXGLGKNAPVFW-AWEZNQCLSA-N 1 2 346.435 0.606 20 30 ECEDLO Cc1c(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NCC#N)cnn1C(C)C ZINC001267280529 837127688 /nfs/dbraw/zinc/12/76/88/837127688.db2.gz UEYXGLGKNAPVFW-AWEZNQCLSA-N 1 2 346.435 0.606 20 30 ECEDLO COCC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC001267294405 837148140 /nfs/dbraw/zinc/14/81/40/837148140.db2.gz HRFITBBRFCNKFJ-CABCVRRESA-N 1 2 342.461 0.042 20 30 ECEDLO COCC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC001267294405 837148142 /nfs/dbraw/zinc/14/81/42/837148142.db2.gz HRFITBBRFCNKFJ-CABCVRRESA-N 1 2 342.461 0.042 20 30 ECEDLO CO[C@@H](C)c1noc(C[NH2+]CCN(C)C(=O)c2ccc(C#N)[nH]2)n1 ZINC001267363483 837257735 /nfs/dbraw/zinc/25/77/35/837257735.db2.gz FZCIAPRJLPNDJH-JTQLQIEISA-N 1 2 332.364 0.839 20 30 ECEDLO COCC#CC[NH2+][C@@H](CNC(=O)C1=NC(=O)N(C)C1)c1ccccc1 ZINC001267369756 837268314 /nfs/dbraw/zinc/26/83/14/837268314.db2.gz HRHNYVRGQGVIKU-HNNXBMFYSA-N 1 2 342.399 0.836 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)c1cnc2n[nH]cc2c1 ZINC001267607586 837951266 /nfs/dbraw/zinc/95/12/66/837951266.db2.gz NKBQIEIPNJUOQU-UHFFFAOYSA-N 1 2 327.392 0.171 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(CCN(C)C(=O)[C@H](F)CC)CC1 ZINC001267609081 837965385 /nfs/dbraw/zinc/96/53/85/837965385.db2.gz OAATXEYDBWRROA-HUUCEWRRSA-N 1 2 342.459 0.501 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cnn(CC)c2)C1 ZINC001267611017 837975637 /nfs/dbraw/zinc/97/56/37/837975637.db2.gz WGGKEZCADNJXSX-DZGCQCFKSA-N 1 2 333.436 0.788 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cnn(CC)c2)C1 ZINC001267611017 837975639 /nfs/dbraw/zinc/97/56/39/837975639.db2.gz WGGKEZCADNJXSX-DZGCQCFKSA-N 1 2 333.436 0.788 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NCCCC)C2)nn1 ZINC001267632702 838095543 /nfs/dbraw/zinc/09/55/43/838095543.db2.gz RQDDWGXKNWPESS-AWEZNQCLSA-N 1 2 348.451 0.575 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](CC(=O)NCCCC)C2)nn1 ZINC001267632702 838095551 /nfs/dbraw/zinc/09/55/51/838095551.db2.gz RQDDWGXKNWPESS-AWEZNQCLSA-N 1 2 348.451 0.575 20 30 ECEDLO C=CCNC(=O)[C@@H](C)N1CC(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267648759 838141077 /nfs/dbraw/zinc/14/10/77/838141077.db2.gz CVNBCCYZBGOQFY-GDBMZVCRSA-N 1 2 347.463 0.961 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC(CNC(=O)/C=C(/C)CC)C1 ZINC001267680412 838238595 /nfs/dbraw/zinc/23/85/95/838238595.db2.gz LEPCSZATOQPLSU-LLBKUYECSA-N 1 2 336.436 0.791 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)C(C)(C)c2c(C)noc2C)C1 ZINC001267689229 838256796 /nfs/dbraw/zinc/25/67/96/838256796.db2.gz GYSZNJUBQWVTDU-UHFFFAOYSA-N 1 2 348.447 0.919 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C2CCC(F)(F)CC2)C1 ZINC001267693931 838275659 /nfs/dbraw/zinc/27/56/59/838275659.db2.gz VTKKUNFXLIWLKS-LBPRGKRZSA-N 1 2 341.402 0.998 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2ccnc(C3CC3)n2)C1 ZINC001267693999 838276342 /nfs/dbraw/zinc/27/63/42/838276342.db2.gz XTAIOJIZDVLMNX-LBPRGKRZSA-N 1 2 343.431 0.706 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(F)nc2)C1 ZINC001267722191 838375253 /nfs/dbraw/zinc/37/52/53/838375253.db2.gz AAOZWXKPDRUPET-LBPRGKRZSA-N 1 2 349.366 0.037 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)nc2)C1 ZINC001267722191 838375266 /nfs/dbraw/zinc/37/52/66/838375266.db2.gz AAOZWXKPDRUPET-LBPRGKRZSA-N 1 2 349.366 0.037 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2cc3cccn3cn2)C1 ZINC001267725069 838390521 /nfs/dbraw/zinc/39/05/21/838390521.db2.gz GHFPNVDIQIJCAI-KGLIPLIRSA-N 1 2 339.399 0.276 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cc3cccn3cn2)C1 ZINC001267725069 838390527 /nfs/dbraw/zinc/39/05/27/838390527.db2.gz GHFPNVDIQIJCAI-KGLIPLIRSA-N 1 2 339.399 0.276 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)nnn3C)C1 ZINC001267724920 838392535 /nfs/dbraw/zinc/39/25/35/838392535.db2.gz BLWXWKONOAGMAU-ZDUSSCGKSA-N 1 2 342.403 0.075 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)nnn3C)C1 ZINC001267724920 838392538 /nfs/dbraw/zinc/39/25/38/838392538.db2.gz BLWXWKONOAGMAU-ZDUSSCGKSA-N 1 2 342.403 0.075 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001267728448 838410594 /nfs/dbraw/zinc/41/05/94/838410594.db2.gz DPEBZHJWWPUKGT-HRCADAONSA-N 1 2 326.400 0.125 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001267728448 838410598 /nfs/dbraw/zinc/41/05/98/838410598.db2.gz DPEBZHJWWPUKGT-HRCADAONSA-N 1 2 326.400 0.125 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+]([C@H](C)C(=O)NC(=O)NC3CC3)C2)C1 ZINC001267730519 838417509 /nfs/dbraw/zinc/41/75/09/838417509.db2.gz QVXUQDDWIVONTP-OCCSQVGLSA-N 1 2 348.447 0.910 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+]([C@H](C)C(=O)NC(=O)NC3CC3)C2)C1 ZINC001267730519 838417511 /nfs/dbraw/zinc/41/75/11/838417511.db2.gz QVXUQDDWIVONTP-OCCSQVGLSA-N 1 2 348.447 0.910 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C)c(OC)c2)C1 ZINC001267744961 838449522 /nfs/dbraw/zinc/44/95/22/838449522.db2.gz PIIAVCYDJCAPNS-OAHLLOKOSA-N 1 2 329.400 0.557 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)c(OC)c2)C1 ZINC001267744961 838449526 /nfs/dbraw/zinc/44/95/26/838449526.db2.gz PIIAVCYDJCAPNS-OAHLLOKOSA-N 1 2 329.400 0.557 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)OC2CCCC2)C1 ZINC001267750092 838468607 /nfs/dbraw/zinc/46/86/07/838468607.db2.gz SQXLJINPPHVTDJ-GDBMZVCRSA-N 1 2 335.448 0.664 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)OC2CCCC2)C1 ZINC001267750092 838468611 /nfs/dbraw/zinc/46/86/11/838468611.db2.gz SQXLJINPPHVTDJ-GDBMZVCRSA-N 1 2 335.448 0.664 20 30 ECEDLO CC(C)OCCCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 ZINC001267759902 838485430 /nfs/dbraw/zinc/48/54/30/838485430.db2.gz NYPWDZJPIQACEA-LSDHHAIUSA-N 1 2 338.452 0.610 20 30 ECEDLO CC(C)OCCCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)C#N)C1 ZINC001267759902 838485434 /nfs/dbraw/zinc/48/54/34/838485434.db2.gz NYPWDZJPIQACEA-LSDHHAIUSA-N 1 2 338.452 0.610 20 30 ECEDLO CN(C(=O)c1c(C2CC2)cnn1C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267768746 838509142 /nfs/dbraw/zinc/50/91/42/838509142.db2.gz WBVJQWIMUFKQHG-ZDUSSCGKSA-N 1 2 344.419 0.084 20 30 ECEDLO CN(C(=O)c1c(C2CC2)cnn1C)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267768746 838509146 /nfs/dbraw/zinc/50/91/46/838509146.db2.gz WBVJQWIMUFKQHG-ZDUSSCGKSA-N 1 2 344.419 0.084 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnc3ccccn32)C1 ZINC001267770156 838518187 /nfs/dbraw/zinc/51/81/87/838518187.db2.gz ZNGJCIZGAWYSNY-CQSZACIVSA-N 1 2 339.399 0.230 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc3ccccn32)C1 ZINC001267770156 838518194 /nfs/dbraw/zinc/51/81/94/838518194.db2.gz ZNGJCIZGAWYSNY-CQSZACIVSA-N 1 2 339.399 0.230 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C2(CC)CC2)C1 ZINC001267771549 838520886 /nfs/dbraw/zinc/52/08/86/838520886.db2.gz IQRUJLNAAZUHBF-CYBMUJFWSA-N 1 2 336.436 0.721 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(CC)CC2)C1 ZINC001267771549 838520893 /nfs/dbraw/zinc/52/08/93/838520893.db2.gz IQRUJLNAAZUHBF-CYBMUJFWSA-N 1 2 336.436 0.721 20 30 ECEDLO C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1)c1ccccc1 ZINC001267777762 838542617 /nfs/dbraw/zinc/54/26/17/838542617.db2.gz TUIGTXZGIFLCCX-GDBMZVCRSA-N 1 2 328.416 0.963 20 30 ECEDLO C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1)c1ccccc1 ZINC001267777762 838542621 /nfs/dbraw/zinc/54/26/21/838542621.db2.gz TUIGTXZGIFLCCX-GDBMZVCRSA-N 1 2 328.416 0.963 20 30 ECEDLO C#CCOCCC(=O)N[C@]1(C[NH2+]Cc2nnn(C)n2)CCCC[C@@H]1C ZINC001267866019 838664783 /nfs/dbraw/zinc/66/47/83/838664783.db2.gz HLVRISCLPFGZED-YOEHRIQHSA-N 1 2 348.451 0.405 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C)n(C)n3)C2)nn1 ZINC001105176662 838718918 /nfs/dbraw/zinc/71/89/18/838718918.db2.gz TYRBONURYJYWMC-UHFFFAOYSA-N 1 2 327.392 0.130 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC001267931232 838813358 /nfs/dbraw/zinc/81/33/58/838813358.db2.gz NSONYECPUQSNLJ-KGLIPLIRSA-N 1 2 343.431 0.160 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC001267931232 838813366 /nfs/dbraw/zinc/81/33/66/838813366.db2.gz NSONYECPUQSNLJ-KGLIPLIRSA-N 1 2 343.431 0.160 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@H](C)c2ccncc2)C1 ZINC001267942855 838831056 /nfs/dbraw/zinc/83/10/56/838831056.db2.gz ONPIECKBMBMRHX-DOTOQJQBSA-N 1 2 342.443 0.905 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)c2ccncc2)C1 ZINC001267942855 838831064 /nfs/dbraw/zinc/83/10/64/838831064.db2.gz ONPIECKBMBMRHX-DOTOQJQBSA-N 1 2 342.443 0.905 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2coc(C(N)=O)c2)C1 ZINC001267956564 838862843 /nfs/dbraw/zinc/86/28/43/838862843.db2.gz JICSYJMNFACGLL-DGCLKSJQSA-N 1 2 348.403 0.263 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2coc(C(N)=O)c2)C1 ZINC001267956564 838862854 /nfs/dbraw/zinc/86/28/54/838862854.db2.gz JICSYJMNFACGLL-DGCLKSJQSA-N 1 2 348.403 0.263 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@H](C)C[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001267980757 838919706 /nfs/dbraw/zinc/91/97/06/838919706.db2.gz XLLKPCFXVGELDH-SJKOYZFVSA-N 1 2 347.419 0.192 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)COCc2ccc(OC)nc2)C1 ZINC001268024300 839013357 /nfs/dbraw/zinc/01/33/57/839013357.db2.gz BVUXUJGGQUYHLA-INIZCTEOSA-N 1 2 349.431 1.000 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)COCc2ccc(OC)nc2)C1 ZINC001268024300 839013367 /nfs/dbraw/zinc/01/33/67/839013367.db2.gz BVUXUJGGQUYHLA-INIZCTEOSA-N 1 2 349.431 1.000 20 30 ECEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000121632067 295718536 /nfs/dbraw/zinc/71/85/36/295718536.db2.gz VCYCERKLIACCIW-ZDUSSCGKSA-N 1 2 329.404 0.655 20 30 ECEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000187539574 236240523 /nfs/dbraw/zinc/24/05/23/236240523.db2.gz RDUHGLCJRHLPGW-CYBMUJFWSA-N 1 2 330.388 0.330 20 30 ECEDLO N#Cc1cnc(N2CC[NH+](CC(=O)NCc3ccccc3)CC2)cn1 ZINC000106463673 219648600 /nfs/dbraw/zinc/64/86/00/219648600.db2.gz QHEWWXYRRFCSRK-UHFFFAOYSA-N 1 2 336.399 0.787 20 30 ECEDLO Cn1c(C#N)ccc1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000448771798 211260025 /nfs/dbraw/zinc/26/00/25/211260025.db2.gz BIULFVNOIWJTJH-INIZCTEOSA-N 1 2 334.445 0.834 20 30 ECEDLO COc1ccc(C#N)cc1NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000267466916 251083387 /nfs/dbraw/zinc/08/33/87/251083387.db2.gz MMSUFCVZQQFAGP-UHFFFAOYSA-N 1 2 345.403 0.980 20 30 ECEDLO CCOCCNC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000267797647 251356072 /nfs/dbraw/zinc/35/60/72/251356072.db2.gz IMVFSISMWMFSNF-UHFFFAOYSA-N 1 2 330.432 0.829 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)CN1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000374531502 285038764 /nfs/dbraw/zinc/03/87/64/285038764.db2.gz UMZOYBSCPHPKFS-CVEARBPZSA-N 1 2 349.479 0.281 20 30 ECEDLO C[N@H+](Cc1cnc2ccc(C#N)cn12)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000430094664 210355397 /nfs/dbraw/zinc/35/53/97/210355397.db2.gz AIRSTBRWCQVFMR-ZDUSSCGKSA-N 1 2 333.417 0.672 20 30 ECEDLO C[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000430094664 210355402 /nfs/dbraw/zinc/35/54/02/210355402.db2.gz AIRSTBRWCQVFMR-ZDUSSCGKSA-N 1 2 333.417 0.672 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2cc(S(N)(=O)=O)oc2C)CC1 ZINC000281623698 254551318 /nfs/dbraw/zinc/55/13/18/254551318.db2.gz PYZATEYWXHSDDW-UHFFFAOYSA-N 1 2 325.390 0.017 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)C1=O ZINC000328815444 254592740 /nfs/dbraw/zinc/59/27/40/254592740.db2.gz NQCQKHXEXHDDLK-KBPBESRZSA-N 1 2 327.450 0.273 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)C1=O ZINC000328815444 254592741 /nfs/dbraw/zinc/59/27/41/254592741.db2.gz NQCQKHXEXHDDLK-KBPBESRZSA-N 1 2 327.450 0.273 20 30 ECEDLO CCOc1ccccc1C(=O)NCC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329931924 254621901 /nfs/dbraw/zinc/62/19/01/254621901.db2.gz PGHOSISWILIHOX-HOCLYGCPSA-N 1 2 347.415 0.931 20 30 ECEDLO CCOc1ccccc1C(=O)NCC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329931924 254621902 /nfs/dbraw/zinc/62/19/02/254621902.db2.gz PGHOSISWILIHOX-HOCLYGCPSA-N 1 2 347.415 0.931 20 30 ECEDLO N#CC1(CN2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000343317551 254686592 /nfs/dbraw/zinc/68/65/92/254686592.db2.gz DGINBSSPMSTZJM-UHFFFAOYSA-N 1 2 328.420 0.739 20 30 ECEDLO CN1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C[C@@H]1C#N ZINC000375228014 254751526 /nfs/dbraw/zinc/75/15/26/254751526.db2.gz FCCFBMYUPVVNGF-AWEZNQCLSA-N 1 2 325.376 0.616 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2nc(C(=O)OC)c(Cl)c2C)CC1 ZINC000491013379 254893995 /nfs/dbraw/zinc/89/39/95/254893995.db2.gz JGKPALIXHCETSZ-UHFFFAOYSA-N 1 2 338.795 0.409 20 30 ECEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@@H](C(=O)OC)OC1=O ZINC000495928524 255056776 /nfs/dbraw/zinc/05/67/76/255056776.db2.gz AFJOBHDIQRHZGV-HNNXBMFYSA-N 1 2 347.371 0.958 20 30 ECEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CN1C[C@@H](C(=O)OC)OC1=O ZINC000495928524 255056778 /nfs/dbraw/zinc/05/67/78/255056778.db2.gz AFJOBHDIQRHZGV-HNNXBMFYSA-N 1 2 347.371 0.958 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496628813 255115885 /nfs/dbraw/zinc/11/58/85/255115885.db2.gz AYFZFMFBTSJUPZ-ZDUSSCGKSA-N 1 2 327.425 0.904 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496628813 255115887 /nfs/dbraw/zinc/11/58/87/255115887.db2.gz AYFZFMFBTSJUPZ-ZDUSSCGKSA-N 1 2 327.425 0.904 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC001077941283 781980937 /nfs/dbraw/zinc/98/09/37/781980937.db2.gz BNWOEZUQGJMULY-HZPDHXFCSA-N 1 2 325.372 0.066 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC001077941283 781980944 /nfs/dbraw/zinc/98/09/44/781980944.db2.gz BNWOEZUQGJMULY-HZPDHXFCSA-N 1 2 325.372 0.066 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](Cc3ncnn3C)C2)C1 ZINC001041695273 782011890 /nfs/dbraw/zinc/01/18/90/782011890.db2.gz AFRCCMWCIYRURJ-VKJFTORMSA-N 1 2 345.447 0.831 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](Cc3ncnn3C)C2)C1 ZINC001041695273 782011898 /nfs/dbraw/zinc/01/18/98/782011898.db2.gz AFRCCMWCIYRURJ-VKJFTORMSA-N 1 2 345.447 0.831 20 30 ECEDLO N#Cc1cccc(CNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000283837857 264156777 /nfs/dbraw/zinc/15/67/77/264156777.db2.gz FDHFBVOGJOGVQY-INIZCTEOSA-N 1 2 349.394 0.965 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)NCc1cccc(C#N)c1 ZINC000283931019 264170115 /nfs/dbraw/zinc/17/01/15/264170115.db2.gz JNCJCCMDYRNELI-AWEZNQCLSA-N 1 2 344.415 0.354 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(S(=O)(=O)Cc3cccc(C#N)c3)C[C@@H]21 ZINC000284812367 264241032 /nfs/dbraw/zinc/24/10/32/264241032.db2.gz ZUMAUYVLGARBQZ-JKSUJKDBSA-N 1 2 335.429 0.793 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(S(=O)(=O)Cc3cccc(C#N)c3)C[C@@H]21 ZINC000284812367 264241033 /nfs/dbraw/zinc/24/10/33/264241033.db2.gz ZUMAUYVLGARBQZ-JKSUJKDBSA-N 1 2 335.429 0.793 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)cc3C#N)C[C@H]21 ZINC000285196017 264289161 /nfs/dbraw/zinc/28/91/61/264289161.db2.gz LLTUDTPRAJIKGQ-HUUCEWRRSA-N 1 2 346.362 0.567 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)cc3C#N)C[C@H]21 ZINC000285196017 264289162 /nfs/dbraw/zinc/28/91/62/264289162.db2.gz LLTUDTPRAJIKGQ-HUUCEWRRSA-N 1 2 346.362 0.567 20 30 ECEDLO CCN1CCN(S(=O)(=O)c2cncc(C#N)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000352190061 270006678 /nfs/dbraw/zinc/00/66/78/270006678.db2.gz OOSZFOMADPSTBI-AWEZNQCLSA-N 1 2 346.416 0.744 20 30 ECEDLO N#Cc1cccc(F)c1CC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000353231104 270006885 /nfs/dbraw/zinc/00/68/85/270006885.db2.gz PVWVCBPXPFWQPK-UHFFFAOYSA-N 1 2 342.378 0.676 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)c2cc(C#N)cn2C)C1=O ZINC000360913660 270007335 /nfs/dbraw/zinc/00/73/35/270007335.db2.gz LZZWZMKMZDEGQD-ZDUSSCGKSA-N 1 2 340.387 0.551 20 30 ECEDLO C[NH2+]CCCc1[nH][nH]c(=NC(=O)c2csc(NC3CC3)n2)c1C#N ZINC000534063120 270008440 /nfs/dbraw/zinc/00/84/40/270008440.db2.gz ZNIIOHBVLPJKLK-UHFFFAOYSA-N 1 2 345.432 0.560 20 30 ECEDLO CCC[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H]1CC(=O)N(C)C1=O ZINC000338323666 266043804 /nfs/dbraw/zinc/04/38/04/266043804.db2.gz RAQHGVHBXFSOGT-AWEZNQCLSA-N 1 2 328.372 0.966 20 30 ECEDLO CCC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H]1CC(=O)N(C)C1=O ZINC000338323666 266043807 /nfs/dbraw/zinc/04/38/07/266043807.db2.gz RAQHGVHBXFSOGT-AWEZNQCLSA-N 1 2 328.372 0.966 20 30 ECEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ncc(C#N)cc2Cl)CC1 ZINC000332228251 266162373 /nfs/dbraw/zinc/16/23/73/266162373.db2.gz NDBNILBOPGKPSV-UHFFFAOYSA-N 1 2 349.822 0.891 20 30 ECEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ncc(C#N)cc2Cl)CC1 ZINC000332228251 266162377 /nfs/dbraw/zinc/16/23/77/266162377.db2.gz NDBNILBOPGKPSV-UHFFFAOYSA-N 1 2 349.822 0.891 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCc1cccc(C#N)c1 ZINC000284178278 266927843 /nfs/dbraw/zinc/92/78/43/266927843.db2.gz ZGLDGWPLFDUGIB-ZDUSSCGKSA-N 1 2 330.388 0.011 20 30 ECEDLO C[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@@H]1O ZINC000351821025 267047605 /nfs/dbraw/zinc/04/76/05/267047605.db2.gz QHYBTWPQLWYXKW-DOMZBBRYSA-N 1 2 325.372 0.995 20 30 ECEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@@H]1O ZINC000351821025 267047608 /nfs/dbraw/zinc/04/76/08/267047608.db2.gz QHYBTWPQLWYXKW-DOMZBBRYSA-N 1 2 325.372 0.995 20 30 ECEDLO C[C@@H]1C[N@@H+](CCN(C)S(=O)(=O)c2ccc(C#N)o2)C[C@H](C)O1 ZINC000287154496 267049682 /nfs/dbraw/zinc/04/96/82/267049682.db2.gz BURPSUFFOVPMOO-TXEJJXNPSA-N 1 2 327.406 0.881 20 30 ECEDLO C[C@@H]1C[N@H+](CCN(C)S(=O)(=O)c2ccc(C#N)o2)C[C@H](C)O1 ZINC000287154496 267049689 /nfs/dbraw/zinc/04/96/89/267049689.db2.gz BURPSUFFOVPMOO-TXEJJXNPSA-N 1 2 327.406 0.881 20 30 ECEDLO C[C@H]1OCC[C@@H]1[N@H+](CCO)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343759941 267245420 /nfs/dbraw/zinc/24/54/20/267245420.db2.gz PQOIROQRPUUYQD-OCCSQVGLSA-N 1 2 339.417 0.199 20 30 ECEDLO C[C@H]1OCC[C@@H]1[N@@H+](CCO)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343759941 267245424 /nfs/dbraw/zinc/24/54/24/267245424.db2.gz PQOIROQRPUUYQD-OCCSQVGLSA-N 1 2 339.417 0.199 20 30 ECEDLO C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000517476667 267805211 /nfs/dbraw/zinc/80/52/11/267805211.db2.gz NETXUCDEXGYGPM-GFCCVEGCSA-N 1 2 342.403 0.452 20 30 ECEDLO N#Cc1ccc(C2(C(=O)N3CCC[N@@H+](CC(N)=O)CC3)CC2)cc1 ZINC000364141780 268051518 /nfs/dbraw/zinc/05/15/18/268051518.db2.gz JIRQIPYOEUVBQZ-UHFFFAOYSA-N 1 2 326.400 0.609 20 30 ECEDLO N#Cc1ccc(C2(C(=O)N3CCC[N@H+](CC(N)=O)CC3)CC2)cc1 ZINC000364141780 268051521 /nfs/dbraw/zinc/05/15/21/268051521.db2.gz JIRQIPYOEUVBQZ-UHFFFAOYSA-N 1 2 326.400 0.609 20 30 ECEDLO N#Cc1ccc(CS(=O)(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000377345162 268081056 /nfs/dbraw/zinc/08/10/56/268081056.db2.gz XEZFEYHODOYUDO-MRXNPFEDSA-N 1 2 335.429 0.841 20 30 ECEDLO N#Cc1ccc(CS(=O)(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000377345162 268081058 /nfs/dbraw/zinc/08/10/58/268081058.db2.gz XEZFEYHODOYUDO-MRXNPFEDSA-N 1 2 335.429 0.841 20 30 ECEDLO N#Cc1ccc(N[C@H]2CCCN(CC[NH+]3CCOCC3)C2=O)cn1 ZINC000360438538 268163740 /nfs/dbraw/zinc/16/37/40/268163740.db2.gz YAFPCJSMYPQZGC-INIZCTEOSA-N 1 2 329.404 0.688 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)nc1 ZINC000367361261 268187806 /nfs/dbraw/zinc/18/78/06/268187806.db2.gz OITUYAONZQYDRE-CYBMUJFWSA-N 1 2 346.416 0.725 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)nc1 ZINC000367361261 268187809 /nfs/dbraw/zinc/18/78/09/268187809.db2.gz OITUYAONZQYDRE-CYBMUJFWSA-N 1 2 346.416 0.725 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000363096409 268194042 /nfs/dbraw/zinc/19/40/42/268194042.db2.gz QUMQZDXSUOVHTE-HOTGVXAUSA-N 1 2 335.429 0.778 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)o1 ZINC000376239629 268203677 /nfs/dbraw/zinc/20/36/77/268203677.db2.gz CNDPPGTWSDHXIT-TZMCWYRMSA-N 1 2 339.417 0.930 20 30 ECEDLO N#Cc1ccc2c(c1)N(C(=O)C(=O)N[C@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000377901203 268220584 /nfs/dbraw/zinc/22/05/84/268220584.db2.gz CZQJDJKPWQCQOO-ZDUSSCGKSA-N 1 2 335.367 0.844 20 30 ECEDLO N#Cc1ccc2c(c1)N(C(=O)C(=O)N[C@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000377901203 268220587 /nfs/dbraw/zinc/22/05/87/268220587.db2.gz CZQJDJKPWQCQOO-ZDUSSCGKSA-N 1 2 335.367 0.844 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc4nnnn4c3)CC2)cc1 ZINC000531562068 268220808 /nfs/dbraw/zinc/22/08/08/268220808.db2.gz SRAVHDXMKQAONW-UHFFFAOYSA-N 1 2 347.382 0.954 20 30 ECEDLO CC(C)[C@@H]1CN(CCS(=O)(=O)c2ccc(C#N)cn2)CC[N@@H+]1C ZINC000343901753 269630861 /nfs/dbraw/zinc/63/08/61/269630861.db2.gz BAIBXOLUVFETSV-HNNXBMFYSA-N 1 2 336.461 0.999 20 30 ECEDLO CC(C)[C@@H]1CN(CCS(=O)(=O)c2ccc(C#N)cn2)CC[N@H+]1C ZINC000343901753 269630863 /nfs/dbraw/zinc/63/08/63/269630863.db2.gz BAIBXOLUVFETSV-HNNXBMFYSA-N 1 2 336.461 0.999 20 30 ECEDLO C#CCC[NH+]1CCN(c2ncccc2S(=O)(=O)NC(C)C)CC1 ZINC000278259051 277673612 /nfs/dbraw/zinc/67/36/12/277673612.db2.gz VIQGRMAWVSOXDO-UHFFFAOYSA-N 1 2 336.461 0.914 20 30 ECEDLO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@@H]2CC[S@](=O)C2)C[C@@H](C)O1 ZINC000330023051 297013358 /nfs/dbraw/zinc/01/33/58/297013358.db2.gz IBWGAPUNFDLZJD-XZXOECAESA-N 1 2 343.493 0.995 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000352602534 298277206 /nfs/dbraw/zinc/27/72/06/298277206.db2.gz BNLGQXSDSSQLEP-MCIONIFRSA-N 1 2 330.454 0.260 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)NC[C@H]3CCCO3)CC2)cc1 ZINC000023258724 436125532 /nfs/dbraw/zinc/12/55/32/436125532.db2.gz KSWQSFOXBCDCTF-GOSISDBHSA-N 1 2 342.443 0.971 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN([C@H](C)C(=O)Nc2nccs2)CC1 ZINC000027900521 436180624 /nfs/dbraw/zinc/18/06/24/436180624.db2.gz NVIMGBHKYOBHNP-GFCCVEGCSA-N 1 2 337.449 0.390 20 30 ECEDLO CC(C)NC(=O)CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000028841334 436195154 /nfs/dbraw/zinc/19/51/54/436195154.db2.gz VHKPCXBCAKKKHR-UHFFFAOYSA-N 1 2 343.431 0.910 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000076902389 436218706 /nfs/dbraw/zinc/21/87/06/436218706.db2.gz MMYJBLZUDGSWME-UHFFFAOYSA-N 1 2 349.479 0.379 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000076902389 436218713 /nfs/dbraw/zinc/21/87/13/436218713.db2.gz MMYJBLZUDGSWME-UHFFFAOYSA-N 1 2 349.479 0.379 20 30 ECEDLO C#CCNS(=O)(=O)c1ccc(C(=O)NCCn2cc[nH+]c2)cc1 ZINC000041618308 436278666 /nfs/dbraw/zinc/27/86/66/436278666.db2.gz LHSSZCGJEVWUKB-UHFFFAOYSA-N 1 2 332.385 0.225 20 30 ECEDLO C#CC[NH+]1CCN(CN2C(=O)C(=O)N(C3CCCCC3)C2=O)CC1 ZINC000044756799 436347178 /nfs/dbraw/zinc/34/71/78/436347178.db2.gz VWOOXKGIVMJASU-UHFFFAOYSA-N 1 2 332.404 0.318 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)N1CC[NH+](Cc2cccnc2)CC1 ZINC000091076856 436440437 /nfs/dbraw/zinc/44/04/37/436440437.db2.gz KJCXICDCRWTAGU-AWEZNQCLSA-N 1 2 331.420 0.600 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(Cc2cccnc2)CC1 ZINC000091076856 436440441 /nfs/dbraw/zinc/44/04/41/436440441.db2.gz KJCXICDCRWTAGU-AWEZNQCLSA-N 1 2 331.420 0.600 20 30 ECEDLO C#CCCOc1ccc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 ZINC000091866516 436462341 /nfs/dbraw/zinc/46/23/41/436462341.db2.gz NOKZEQUYJVADHA-OAHLLOKOSA-N 1 2 327.384 0.231 20 30 ECEDLO C#CCCOc1ccc(C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 ZINC000091866516 436462344 /nfs/dbraw/zinc/46/23/44/436462344.db2.gz NOKZEQUYJVADHA-OAHLLOKOSA-N 1 2 327.384 0.231 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(CC)ccc2O)CC1 ZINC000104133087 436556836 /nfs/dbraw/zinc/55/68/36/436556836.db2.gz ZBVWLWXIWNBORB-UHFFFAOYSA-N 1 2 343.427 0.852 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(CC)ccc2O)CC1 ZINC000104133087 436556842 /nfs/dbraw/zinc/55/68/42/436556842.db2.gz ZBVWLWXIWNBORB-UHFFFAOYSA-N 1 2 343.427 0.852 20 30 ECEDLO C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000105739417 436576215 /nfs/dbraw/zinc/57/62/15/436576215.db2.gz MGUGJKYIPNYKDL-VXGBXAGGSA-N 1 2 348.378 0.861 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)NCCS(=O)(=O)c2ccccc2)CC1 ZINC000057172804 436606426 /nfs/dbraw/zinc/60/64/26/436606426.db2.gz NMGNBJXSYBEPHX-UHFFFAOYSA-N 1 2 334.441 0.922 20 30 ECEDLO COc1ccc(CC(N)=[NH+]OCc2nc(N)nc(N(C)C)n2)cc1 ZINC000060454994 436633411 /nfs/dbraw/zinc/63/34/11/436633411.db2.gz XIGFYHADXUFMNS-UHFFFAOYSA-N 1 2 331.380 0.560 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cn1 ZINC000115343151 436646329 /nfs/dbraw/zinc/64/63/29/436646329.db2.gz LWVGBERSGXGPRQ-MRXNPFEDSA-N 1 2 332.429 0.891 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)COc2ccccc2)CC1 ZINC000064250952 436648084 /nfs/dbraw/zinc/64/80/84/436648084.db2.gz RBLVLXLJNKTHNI-UHFFFAOYSA-N 1 2 331.416 0.902 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)COc2ccccc2)CC1 ZINC000064250952 436648085 /nfs/dbraw/zinc/64/80/85/436648085.db2.gz RBLVLXLJNKTHNI-UHFFFAOYSA-N 1 2 331.416 0.902 20 30 ECEDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)C(=O)NCc1ccco1 ZINC000115598545 436647495 /nfs/dbraw/zinc/64/74/95/436647495.db2.gz JRRVTLLWYCFFGU-IAQYHMDHSA-N 1 2 326.356 0.972 20 30 ECEDLO C#CC[N@@H+](C[C@H](O)COc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066537503 436687851 /nfs/dbraw/zinc/68/78/51/436687851.db2.gz IDDISBNOLADYPG-CABCVRRESA-N 1 2 341.404 0.688 20 30 ECEDLO C#CC[N@H+](C[C@H](O)COc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066537503 436687855 /nfs/dbraw/zinc/68/78/55/436687855.db2.gz IDDISBNOLADYPG-CABCVRRESA-N 1 2 341.404 0.688 20 30 ECEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)CCCCC1 ZINC000139068831 436663080 /nfs/dbraw/zinc/66/30/80/436663080.db2.gz BMWAWZJXQONUOM-AWEZNQCLSA-N 1 2 333.436 0.819 20 30 ECEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H](N3CCNC3=O)C2)CCCCC1 ZINC000139068831 436663084 /nfs/dbraw/zinc/66/30/84/436663084.db2.gz BMWAWZJXQONUOM-AWEZNQCLSA-N 1 2 333.436 0.819 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCO[C@H](C)[C@@H]3C)CC2)o1 ZINC000139253981 436664334 /nfs/dbraw/zinc/66/43/34/436664334.db2.gz AUIXPEDMOURJLC-QWHCGFSZSA-N 1 2 347.419 0.613 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCO[C@H](C)[C@@H]3C)CC2)o1 ZINC000139253981 436664337 /nfs/dbraw/zinc/66/43/37/436664337.db2.gz AUIXPEDMOURJLC-QWHCGFSZSA-N 1 2 347.419 0.613 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)CC[C@H](CC(C)C)C2=O)CC1 ZINC000119200440 436665700 /nfs/dbraw/zinc/66/57/00/436665700.db2.gz JAPDGYRDBKSZKX-OAHLLOKOSA-N 1 2 333.432 0.575 20 30 ECEDLO N#Cc1ccc(CC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)cc1 ZINC000194837433 436672565 /nfs/dbraw/zinc/67/25/65/436672565.db2.gz VVXKIBAGCMBVNU-UHFFFAOYSA-N 1 2 340.427 0.867 20 30 ECEDLO N#Cc1cc(CN2CC[NH+](CCS(N)(=O)=O)CC2)ccc1F ZINC000121573249 436719561 /nfs/dbraw/zinc/71/95/61/436719561.db2.gz YHLAPXHCQORCRY-UHFFFAOYSA-N 1 2 326.397 0.103 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnn(CCC)c2)CC1 ZINC000273070367 436733649 /nfs/dbraw/zinc/73/36/49/436733649.db2.gz ZKQMJTLMROSFHB-UHFFFAOYSA-N 1 2 331.420 0.190 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnn(CCC)c2)CC1 ZINC000273070367 436733653 /nfs/dbraw/zinc/73/36/53/436733653.db2.gz ZKQMJTLMROSFHB-UHFFFAOYSA-N 1 2 331.420 0.190 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(C(=O)Cc2cccc(OC)c2)CC1 ZINC000122825469 436738172 /nfs/dbraw/zinc/73/81/72/436738172.db2.gz HPYWVOLRPIOQDH-HNNXBMFYSA-N 1 2 343.427 0.520 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000153321952 436754628 /nfs/dbraw/zinc/75/46/28/436754628.db2.gz GIESXFRCEUEKQV-UHFFFAOYSA-N 1 2 342.399 0.730 20 30 ECEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CC(=O)N2CCNC2=O)CC1 ZINC000121471761 436717041 /nfs/dbraw/zinc/71/70/41/436717041.db2.gz KLDHXRWGLZJZSQ-HNNXBMFYSA-N 1 2 327.388 0.421 20 30 ECEDLO C[C@](C#N)(NC(=O)CN1CCCC[C@H]1C[NH+]1CCOCC1)C1CC1 ZINC000245814747 436768803 /nfs/dbraw/zinc/76/88/03/436768803.db2.gz REZLKHFTGNTGJZ-FUHWJXTLSA-N 1 2 334.464 0.982 20 30 ECEDLO Cc1nc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c(=O)[nH]c1C ZINC000155235409 436791029 /nfs/dbraw/zinc/79/10/29/436791029.db2.gz RMOTXUCWVPASHU-UHFFFAOYSA-N 1 2 333.392 0.075 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)CC1 ZINC000249542574 436822224 /nfs/dbraw/zinc/82/22/24/436822224.db2.gz FIWNKXPJINPCQH-OAGGEKHMSA-N 1 2 349.479 0.265 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)CC1 ZINC000249542574 436822226 /nfs/dbraw/zinc/82/22/26/436822226.db2.gz FIWNKXPJINPCQH-OAGGEKHMSA-N 1 2 349.479 0.265 20 30 ECEDLO N#Cc1ccc(C(=O)NCC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000127578118 436804626 /nfs/dbraw/zinc/80/46/26/436804626.db2.gz NHRPQCUYVMOJGF-MRXNPFEDSA-N 1 2 342.399 0.267 20 30 ECEDLO N#Cc1ccc(C(=O)NCC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000127578118 436804629 /nfs/dbraw/zinc/80/46/29/436804629.db2.gz NHRPQCUYVMOJGF-MRXNPFEDSA-N 1 2 342.399 0.267 20 30 ECEDLO N#Cc1cc(F)ccc1S(=O)(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000157739410 436831831 /nfs/dbraw/zinc/83/18/31/436831831.db2.gz SQYKBIAFKGYGEO-CQSZACIVSA-N 1 2 339.392 0.839 20 30 ECEDLO N#Cc1cc(F)ccc1S(=O)(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000157739410 436831834 /nfs/dbraw/zinc/83/18/34/436831834.db2.gz SQYKBIAFKGYGEO-CQSZACIVSA-N 1 2 339.392 0.839 20 30 ECEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)n1 ZINC000279721968 436835416 /nfs/dbraw/zinc/83/54/16/436835416.db2.gz LYDOLQIHPRMMKP-HUUCEWRRSA-N 1 2 345.447 0.451 20 30 ECEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)n1 ZINC000279721968 436835417 /nfs/dbraw/zinc/83/54/17/436835417.db2.gz LYDOLQIHPRMMKP-HUUCEWRRSA-N 1 2 345.447 0.451 20 30 ECEDLO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCn1cc[nH+]c1 ZINC000133437746 436879261 /nfs/dbraw/zinc/87/92/61/436879261.db2.gz PEVHKAQBOQJXJF-LBPRGKRZSA-N 1 2 347.400 0.238 20 30 ECEDLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1 ZINC000293486972 436882135 /nfs/dbraw/zinc/88/21/35/436882135.db2.gz QZHYIALAPOKXGX-ZDUSSCGKSA-N 1 2 341.408 0.775 20 30 ECEDLO Cc1cc(C)nc(N2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)n1 ZINC000161934029 436899375 /nfs/dbraw/zinc/89/93/75/436899375.db2.gz QGFQFSUYMGSDBC-HNNXBMFYSA-N 1 2 330.436 0.976 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCC(=O)OC(C)(C)C)C1=O ZINC000281471796 436971633 /nfs/dbraw/zinc/97/16/33/436971633.db2.gz WAJMXPHKFPKOSF-GFCCVEGCSA-N 1 2 325.409 0.163 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCC(=O)OC(C)(C)C)C1=O ZINC000281471796 436971636 /nfs/dbraw/zinc/97/16/36/436971636.db2.gz WAJMXPHKFPKOSF-GFCCVEGCSA-N 1 2 325.409 0.163 20 30 ECEDLO C[C@@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)[NH+]1CCN(C)CC1 ZINC000263683921 436977255 /nfs/dbraw/zinc/97/72/55/436977255.db2.gz OGTBMENPDZSTRM-HNNXBMFYSA-N 1 2 342.447 0.238 20 30 ECEDLO N#CC1(CS(=O)(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000165258554 436935197 /nfs/dbraw/zinc/93/51/97/436935197.db2.gz NSUZUECIQALAEJ-AWEZNQCLSA-N 1 2 327.450 0.664 20 30 ECEDLO CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000275807925 437016444 /nfs/dbraw/zinc/01/64/44/437016444.db2.gz NPDKUEKCOQLRKT-CYBMUJFWSA-N 1 2 345.403 0.974 20 30 ECEDLO C[C@@H]1CN(c2ccc(CNC(=O)N3CCO[C@@H](C#N)C3)c[nH+]2)CCO1 ZINC000264430344 437028735 /nfs/dbraw/zinc/02/87/35/437028735.db2.gz WZIDHQCSXVHXEF-HIFRSBDPSA-N 1 2 345.403 0.741 20 30 ECEDLO C#CCN(CC#N)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000282076883 437009759 /nfs/dbraw/zinc/00/97/59/437009759.db2.gz UCDPAKNTNZFUNG-UHFFFAOYSA-N 1 2 339.399 0.496 20 30 ECEDLO N#Cc1ccsc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000172323428 437010451 /nfs/dbraw/zinc/01/04/51/437010451.db2.gz JZYDEYMQWOBYPI-CYBMUJFWSA-N 1 2 348.428 0.283 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000173837097 437067042 /nfs/dbraw/zinc/06/70/42/437067042.db2.gz XPQOPQGXRNMZQL-CQSZACIVSA-N 1 2 337.445 0.343 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000173837097 437067046 /nfs/dbraw/zinc/06/70/46/437067046.db2.gz XPQOPQGXRNMZQL-CQSZACIVSA-N 1 2 337.445 0.343 20 30 ECEDLO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)Cc1ccc(C#N)cc1 ZINC000264719696 437072259 /nfs/dbraw/zinc/07/22/59/437072259.db2.gz GBPWCMVNLIYTIO-UHFFFAOYSA-N 1 2 345.399 0.435 20 30 ECEDLO C#CC(C)(C)[N@@H+](C)CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000298380685 437037626 /nfs/dbraw/zinc/03/76/26/437037626.db2.gz DIFCBQOPEQBKGH-UHFFFAOYSA-N 1 2 334.420 0.312 20 30 ECEDLO C#CC(C)(C)[N@H+](C)CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000298380685 437037631 /nfs/dbraw/zinc/03/76/31/437037631.db2.gz DIFCBQOPEQBKGH-UHFFFAOYSA-N 1 2 334.420 0.312 20 30 ECEDLO Cc1cccc(NC(=O)C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1C#N ZINC000285383251 437077747 /nfs/dbraw/zinc/07/77/47/437077747.db2.gz VORLTGBTGSUOTA-HZPDHXFCSA-N 1 2 342.399 0.737 20 30 ECEDLO Cc1cccc(NC(=O)C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c1C#N ZINC000285383251 437077751 /nfs/dbraw/zinc/07/77/51/437077751.db2.gz VORLTGBTGSUOTA-HZPDHXFCSA-N 1 2 342.399 0.737 20 30 ECEDLO CC(C)(C(=O)NCCC[N@@H+]1CCNC(=O)C1)c1cc(F)cc(C#N)c1 ZINC000285793710 437085091 /nfs/dbraw/zinc/08/50/91/437085091.db2.gz PEJRJIGCAGCGSK-UHFFFAOYSA-N 1 2 346.406 0.913 20 30 ECEDLO CC(C)(C(=O)NCCC[N@H+]1CCNC(=O)C1)c1cc(F)cc(C#N)c1 ZINC000285793710 437085095 /nfs/dbraw/zinc/08/50/95/437085095.db2.gz PEJRJIGCAGCGSK-UHFFFAOYSA-N 1 2 346.406 0.913 20 30 ECEDLO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)c1cccc(CC#N)c1 ZINC000264798305 437085353 /nfs/dbraw/zinc/08/53/53/437085353.db2.gz UUVAFIZHFKJVIG-UHFFFAOYSA-N 1 2 345.399 0.700 20 30 ECEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)CCCCC1 ZINC000279130064 303145247 /nfs/dbraw/zinc/14/52/47/303145247.db2.gz VZIXYALTRYFRJV-INIZCTEOSA-N 1 2 333.392 0.003 20 30 ECEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)CCCCC1 ZINC000279130064 303145249 /nfs/dbraw/zinc/14/52/49/303145249.db2.gz VZIXYALTRYFRJV-INIZCTEOSA-N 1 2 333.392 0.003 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2c(ncn(CC)c2=O)C1 ZINC000286076160 437086143 /nfs/dbraw/zinc/08/61/43/437086143.db2.gz JXFAAUPMOHXDHV-CYBMUJFWSA-N 1 2 331.420 0.629 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2c(ncn(CC)c2=O)C1 ZINC000286076160 437086146 /nfs/dbraw/zinc/08/61/46/437086146.db2.gz JXFAAUPMOHXDHV-CYBMUJFWSA-N 1 2 331.420 0.629 20 30 ECEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCN4C(=O)NC[C@H]4C3)C2=O)cc1 ZINC000247239409 303194777 /nfs/dbraw/zinc/19/47/77/303194777.db2.gz SVWIXPOBWSVRBD-GJZGRUSLSA-N 1 2 325.372 0.373 20 30 ECEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCN4C(=O)NC[C@H]4C3)C2=O)cc1 ZINC000247239409 303194780 /nfs/dbraw/zinc/19/47/80/303194780.db2.gz SVWIXPOBWSVRBD-GJZGRUSLSA-N 1 2 325.372 0.373 20 30 ECEDLO N#C[C@H](c1ccccc1)N1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000302961080 437152754 /nfs/dbraw/zinc/15/27/54/437152754.db2.gz LIRQVVJKAAANDD-RTBURBONSA-N 1 2 344.459 0.562 20 30 ECEDLO C[C@@H](CNS(=O)(=O)c1cccnc1C#N)C[NH+]1CCN(C)CC1 ZINC000277065308 437191360 /nfs/dbraw/zinc/19/13/60/437191360.db2.gz RUANHMFWRCSTCQ-ZDUSSCGKSA-N 1 2 337.449 0.115 20 30 ECEDLO CN(Cc1ccccc1F)C(=O)CO[NH+]=C(N)CN1CCOCC1 ZINC000177595387 437192652 /nfs/dbraw/zinc/19/26/52/437192652.db2.gz BCSRRSLDSYWODX-UHFFFAOYSA-N 1 2 338.383 0.405 20 30 ECEDLO C#CC[NH+]1CCN(CN2C(=O)C[C@@](C)(c3ccccc3)C2=O)CC1 ZINC000179177856 437255734 /nfs/dbraw/zinc/25/57/34/437255734.db2.gz WQLCKHDZTDVQDZ-IBGZPJMESA-N 1 2 325.412 0.912 20 30 ECEDLO C[S@@](=O)C1(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000328754257 437258749 /nfs/dbraw/zinc/25/87/49/437258749.db2.gz SKLUGZBGYMVVFG-QKFKETGDSA-N 1 2 343.493 0.856 20 30 ECEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCO[C@@]3(CCCOC3)C2)C1 ZINC000329060623 437310640 /nfs/dbraw/zinc/31/06/40/437310640.db2.gz JKMPTLPNBUWOER-WBVHZDCISA-N 1 2 339.436 0.835 20 30 ECEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCO[C@@]3(CCCOC3)C2)C1 ZINC000329060623 437310645 /nfs/dbraw/zinc/31/06/45/437310645.db2.gz JKMPTLPNBUWOER-WBVHZDCISA-N 1 2 339.436 0.835 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3cnn(-c4ncccn4)c3)C[C@@H]21 ZINC000329059258 437310671 /nfs/dbraw/zinc/31/06/71/437310671.db2.gz YQPUNODZCKVPOS-UONOGXRCSA-N 1 2 343.391 0.613 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3cnn(-c4ncccn4)c3)C[C@@H]21 ZINC000329059258 437310672 /nfs/dbraw/zinc/31/06/72/437310672.db2.gz YQPUNODZCKVPOS-UONOGXRCSA-N 1 2 343.391 0.613 20 30 ECEDLO CO[C@@H]1C[C@@H](CO)[N@H+](CC(=O)N[C@@H](C)C(=O)N2CCCCC2)C1 ZINC000329063741 437311969 /nfs/dbraw/zinc/31/19/69/437311969.db2.gz ZZUCEHQWRBWDSE-MELADBBJSA-N 1 2 327.425 0.426 20 30 ECEDLO CO[C@@H]1C[C@@H](CO)[N@@H+](CC(=O)N[C@@H](C)C(=O)N2CCCCC2)C1 ZINC000329063741 437311973 /nfs/dbraw/zinc/31/19/73/437311973.db2.gz ZZUCEHQWRBWDSE-MELADBBJSA-N 1 2 327.425 0.426 20 30 ECEDLO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000336930701 437314248 /nfs/dbraw/zinc/31/42/48/437314248.db2.gz BDXZUIQTRGSQIJ-GFCCVEGCSA-N 1 2 327.410 0.098 20 30 ECEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000336959416 437319685 /nfs/dbraw/zinc/31/96/85/437319685.db2.gz BRXDDFXIVGKTMC-GFCCVEGCSA-N 1 2 341.375 0.890 20 30 ECEDLO CN(C)c1ccc(CNC(=O)N2CCOC[C@H]2c2ncnn2C)c[nH+]1 ZINC000328895973 437280779 /nfs/dbraw/zinc/28/07/79/437280779.db2.gz VNMJUBOQYMORQB-ZDUSSCGKSA-N 1 2 345.407 0.764 20 30 ECEDLO COC[C@H](NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)[C@H]1CCCO1 ZINC000328895507 437281107 /nfs/dbraw/zinc/28/11/07/437281107.db2.gz VHGFWRJQYNFWLX-YJNKXOJESA-N 1 2 327.425 0.499 20 30 ECEDLO COC[C@H](NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)[C@H]1CCCO1 ZINC000328895507 437281113 /nfs/dbraw/zinc/28/11/13/437281113.db2.gz VHGFWRJQYNFWLX-YJNKXOJESA-N 1 2 327.425 0.499 20 30 ECEDLO C[C@H]1C[NH+]=C(N2CCN(CC(=O)N(CCC#N)CCC#N)CC2)S1 ZINC000267101863 437289103 /nfs/dbraw/zinc/28/91/03/437289103.db2.gz YBHRWEKNBCIJIL-AWEZNQCLSA-N 1 2 348.476 0.751 20 30 ECEDLO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1C(=O)NCC[NH+]1CCOCC1 ZINC000328955295 437292757 /nfs/dbraw/zinc/29/27/57/437292757.db2.gz NFTMXTHHLXDQGB-VYDXJSESSA-N 1 2 341.452 0.485 20 30 ECEDLO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000182408716 437348099 /nfs/dbraw/zinc/34/80/99/437348099.db2.gz QIJUWBSXHCTYCD-ZDUSSCGKSA-N 1 2 341.408 0.775 20 30 ECEDLO C[N@@H+]1CCO[C@@H](CNC(=O)NCCc2ccc3c(c2)OCCO3)C1 ZINC000329127731 437323202 /nfs/dbraw/zinc/32/32/02/437323202.db2.gz ZECFUCLXARMDDC-AWEZNQCLSA-N 1 2 335.404 0.835 20 30 ECEDLO C[N@H+]1CCO[C@@H](CNC(=O)NCCc2ccc3c(c2)OCCO3)C1 ZINC000329127731 437323204 /nfs/dbraw/zinc/32/32/04/437323204.db2.gz ZECFUCLXARMDDC-AWEZNQCLSA-N 1 2 335.404 0.835 20 30 ECEDLO N#C[C@@H]1CN(S(=O)(=O)NCc2cccc(-n3cc[nH+]c3)c2)CCO1 ZINC000337090243 437329288 /nfs/dbraw/zinc/32/92/88/437329288.db2.gz JKZFVPFTYOQFJF-OAHLLOKOSA-N 1 2 347.400 0.431 20 30 ECEDLO Cc1cc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)ccc1C#N ZINC000278647533 437331513 /nfs/dbraw/zinc/33/15/13/437331513.db2.gz DTVKOQRFZZTONZ-KBPBESRZSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)ccc1C#N ZINC000278647533 437331519 /nfs/dbraw/zinc/33/15/19/437331519.db2.gz DTVKOQRFZZTONZ-KBPBESRZSA-N 1 2 337.445 0.942 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](CCCOC)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000337147334 437335775 /nfs/dbraw/zinc/33/57/75/437335775.db2.gz GHAPNVXJKSCCBB-ZIAGYGMSSA-N 1 2 330.450 0.299 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](CCCOC)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000337147334 437335780 /nfs/dbraw/zinc/33/57/80/437335780.db2.gz GHAPNVXJKSCCBB-ZIAGYGMSSA-N 1 2 330.450 0.299 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000337157441 437336513 /nfs/dbraw/zinc/33/65/13/437336513.db2.gz PWPACDMUYIDIPN-MCIONIFRSA-N 1 2 332.470 0.364 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000337157441 437336519 /nfs/dbraw/zinc/33/65/19/437336519.db2.gz PWPACDMUYIDIPN-MCIONIFRSA-N 1 2 332.470 0.364 20 30 ECEDLO CN(C)C(=O)[C@H]1CC[C@@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)O1 ZINC000329229821 437339472 /nfs/dbraw/zinc/33/94/72/437339472.db2.gz JOEYBYWLDMOLHE-QWHCGFSZSA-N 1 2 327.425 0.690 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CC)CC1 ZINC000338605958 437412407 /nfs/dbraw/zinc/41/24/07/437412407.db2.gz JXFYOTRWJHUPLH-UHFFFAOYSA-N 1 2 343.435 0.717 20 30 ECEDLO C[C@H]1OCC[C@H]1NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329808094 437416976 /nfs/dbraw/zinc/41/69/76/437416976.db2.gz BOHDFUOTLHYZNY-TZMCWYRMSA-N 1 2 347.419 0.782 20 30 ECEDLO Cn1nc2c(cc1=O)CN(C(=O)NCc1cn3c([nH+]1)CCCC3)CC2 ZINC000329820099 437418038 /nfs/dbraw/zinc/41/80/38/437418038.db2.gz YDXHEUOAZFUKQB-UHFFFAOYSA-N 1 2 342.403 0.785 20 30 ECEDLO CN(C)c1[nH+]cccc1CNC(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000329849149 437420478 /nfs/dbraw/zinc/42/04/78/437420478.db2.gz PXUWRUFVFUQNTH-LBPRGKRZSA-N 1 2 326.422 0.728 20 30 ECEDLO CN(C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)[C@H]1CCOC1 ZINC000329847201 437420487 /nfs/dbraw/zinc/42/04/87/437420487.db2.gz PFRJVZBPZCJALO-AWEZNQCLSA-N 1 2 347.419 0.735 20 30 ECEDLO C[C@@H]1CN(C(=O)NC[C@H]2CCc3[nH+]ccn3C2)CCS1(=O)=O ZINC000329905835 437429169 /nfs/dbraw/zinc/42/91/69/437429169.db2.gz JTVAQCHDHDCFJK-VXGBXAGGSA-N 1 2 326.422 0.478 20 30 ECEDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000329531073 437380162 /nfs/dbraw/zinc/38/01/62/437380162.db2.gz JDLSCRRODNVORD-TUKIKUTGSA-N 1 2 348.403 0.630 20 30 ECEDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000329531073 437380163 /nfs/dbraw/zinc/38/01/63/437380163.db2.gz JDLSCRRODNVORD-TUKIKUTGSA-N 1 2 348.403 0.630 20 30 ECEDLO C#CCn1ccc(CN(CC)C(=O)N[C@H](C)C[NH+]2CCOCC2)n1 ZINC000279251297 437388801 /nfs/dbraw/zinc/38/88/01/437388801.db2.gz PIVYXAJWYVNYTN-OAHLLOKOSA-N 1 2 333.436 0.769 20 30 ECEDLO N#CC1(CS(=O)(=O)NCc2ccc[nH+]c2N2CCOCC2)CC1 ZINC000183787817 437392081 /nfs/dbraw/zinc/39/20/81/437392081.db2.gz BSIMMHZOMPIBQR-UHFFFAOYSA-N 1 2 336.417 0.641 20 30 ECEDLO CC(C)(CNC(=O)NC[C@H](O)C1CCOCC1)[NH+]1CCOCC1 ZINC000329632684 437395354 /nfs/dbraw/zinc/39/53/54/437395354.db2.gz WWRVWSGKGVXIQG-AWEZNQCLSA-N 1 2 329.441 0.388 20 30 ECEDLO CN1CCO[C@@H]2C[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C[C@H]21 ZINC000330357729 437488181 /nfs/dbraw/zinc/48/81/81/437488181.db2.gz TXISMLOESNDBBT-MGPQQGTHSA-N 1 2 332.429 0.740 20 30 ECEDLO CN1CCO[C@@H]2C[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C[C@H]21 ZINC000330357729 437488188 /nfs/dbraw/zinc/48/81/88/437488188.db2.gz TXISMLOESNDBBT-MGPQQGTHSA-N 1 2 332.429 0.740 20 30 ECEDLO Cn1cc(C[NH+]2CCN(C(=O)N[C@H]3CC(=O)N(C4CC4)C3)CC2)cn1 ZINC000330281458 437479310 /nfs/dbraw/zinc/47/93/10/437479310.db2.gz USFGOPBQDBDNHX-AWEZNQCLSA-N 1 2 346.435 0.215 20 30 ECEDLO CN1CCO[C@@H]2C[N@H+](CC(=O)NC[C@@H]3Cc4ccccc4O3)C[C@H]21 ZINC000330301236 437481462 /nfs/dbraw/zinc/48/14/62/437481462.db2.gz NQCVWKMKDPOLAR-ZMSDIMECSA-N 1 2 331.416 0.961 20 30 ECEDLO CN1CCO[C@@H]2C[N@@H+](CC(=O)NC[C@@H]3Cc4ccccc4O3)C[C@H]21 ZINC000330301236 437481464 /nfs/dbraw/zinc/48/14/64/437481464.db2.gz NQCVWKMKDPOLAR-ZMSDIMECSA-N 1 2 331.416 0.961 20 30 ECEDLO CCN1CCN(C(=O)NCCc2nc(C)no2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329952039 437436348 /nfs/dbraw/zinc/43/63/48/437436348.db2.gz IOJJTQNQTCVTGJ-LBPRGKRZSA-N 1 2 333.396 0.936 20 30 ECEDLO CCO[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[N@H+](C)CCO2)C12CCOCC2 ZINC000329980384 437441014 /nfs/dbraw/zinc/44/10/14/437441014.db2.gz LGKQPXIJUFOTEY-QLFBSQMISA-N 1 2 341.452 0.795 20 30 ECEDLO CCO[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C12CCOCC2 ZINC000329980384 437441018 /nfs/dbraw/zinc/44/10/18/437441018.db2.gz LGKQPXIJUFOTEY-QLFBSQMISA-N 1 2 341.452 0.795 20 30 ECEDLO CNC(=O)[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000289827520 437444019 /nfs/dbraw/zinc/44/40/19/437444019.db2.gz AKLQFOZNYBHHMG-ZDUSSCGKSA-N 1 2 336.417 0.185 20 30 ECEDLO CNC(=O)[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000289827520 437444022 /nfs/dbraw/zinc/44/40/22/437444022.db2.gz AKLQFOZNYBHHMG-ZDUSSCGKSA-N 1 2 336.417 0.185 20 30 ECEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC000330000057 437444059 /nfs/dbraw/zinc/44/40/59/437444059.db2.gz VWABIWLIBCHASU-ZSHCYNCHSA-N 1 2 333.436 0.713 20 30 ECEDLO CC(C)(CNC(=O)N1CCc2n[nH]c(=O)cc2C1)[NH+]1CCOCC1 ZINC000330087832 437452310 /nfs/dbraw/zinc/45/23/10/437452310.db2.gz UEQFRWLBSIAZCW-UHFFFAOYSA-N 1 2 335.408 0.565 20 30 ECEDLO C=C[C@@](C)(CCOC)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000187236911 437493702 /nfs/dbraw/zinc/49/37/02/437493702.db2.gz IXRYROSCVYTCMB-SFHVURJKSA-N 1 2 347.463 0.944 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000330411542 437504316 /nfs/dbraw/zinc/50/43/16/437504316.db2.gz KKNUZXKNLRXMJA-MELADBBJSA-N 1 2 332.470 0.554 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000330411542 437504324 /nfs/dbraw/zinc/50/43/24/437504324.db2.gz KKNUZXKNLRXMJA-MELADBBJSA-N 1 2 332.470 0.554 20 30 ECEDLO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000330443983 437512641 /nfs/dbraw/zinc/51/26/41/437512641.db2.gz GCTQVXGCSDVGKF-CHWSQXEVSA-N 1 2 343.453 0.447 20 30 ECEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000330443983 437512645 /nfs/dbraw/zinc/51/26/45/437512645.db2.gz GCTQVXGCSDVGKF-CHWSQXEVSA-N 1 2 343.453 0.447 20 30 ECEDLO C=CCCCN(C)C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000339897603 437515983 /nfs/dbraw/zinc/51/59/83/437515983.db2.gz DONQDZCWKPAJAT-HNNXBMFYSA-N 1 2 325.453 0.884 20 30 ECEDLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000188276434 437540229 /nfs/dbraw/zinc/54/02/29/437540229.db2.gz WZNLFNIYMPNECJ-SNVBAGLBSA-N 1 2 345.371 0.524 20 30 ECEDLO CN(CC[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000290967849 437548040 /nfs/dbraw/zinc/54/80/40/437548040.db2.gz DCOCBLHDICSWPR-UHFFFAOYSA-N 1 2 334.351 0.426 20 30 ECEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000330664183 437582869 /nfs/dbraw/zinc/58/28/69/437582869.db2.gz YCKJBJYRSRSAJZ-SMDDNHRTSA-N 1 2 336.417 0.638 20 30 ECEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000330664183 437582874 /nfs/dbraw/zinc/58/28/74/437582874.db2.gz YCKJBJYRSRSAJZ-SMDDNHRTSA-N 1 2 336.417 0.638 20 30 ECEDLO C[C@@H]1CS(=O)(=O)CCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000330833757 437626658 /nfs/dbraw/zinc/62/66/58/437626658.db2.gz VTVCCGXJYODZMQ-VXGBXAGGSA-N 1 2 346.453 0.409 20 30 ECEDLO C[C@@H]1CS(=O)(=O)CCN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000330833757 437626663 /nfs/dbraw/zinc/62/66/63/437626663.db2.gz VTVCCGXJYODZMQ-VXGBXAGGSA-N 1 2 346.453 0.409 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCCN(CCOC)C(=O)C1 ZINC000190782904 437639947 /nfs/dbraw/zinc/63/99/47/437639947.db2.gz MMLOXSFKPKRBTQ-HNNXBMFYSA-N 1 2 325.453 0.980 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCCN(CCOC)C(=O)C1 ZINC000190782904 437639950 /nfs/dbraw/zinc/63/99/50/437639950.db2.gz MMLOXSFKPKRBTQ-HNNXBMFYSA-N 1 2 325.453 0.980 20 30 ECEDLO C[C@H](O)CCN(C)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330895942 437645058 /nfs/dbraw/zinc/64/50/58/437645058.db2.gz SGUTUFTZRGJESU-ZDUSSCGKSA-N 1 2 349.435 0.717 20 30 ECEDLO N#CCC(=O)N1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000360986216 437652943 /nfs/dbraw/zinc/65/29/43/437652943.db2.gz RIYVLWFHPRQHBS-OAHLLOKOSA-N 1 2 334.420 0.072 20 30 ECEDLO N#CCC(=O)N1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000360986216 437652946 /nfs/dbraw/zinc/65/29/46/437652946.db2.gz RIYVLWFHPRQHBS-OAHLLOKOSA-N 1 2 334.420 0.072 20 30 ECEDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C#N)c(C)n2)C1 ZINC000354896937 437655138 /nfs/dbraw/zinc/65/51/38/437655138.db2.gz IATPGCFRMDBQKP-CYBMUJFWSA-N 1 2 330.388 0.877 20 30 ECEDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(C#N)c(C)n2)C1 ZINC000354896937 437655139 /nfs/dbraw/zinc/65/51/39/437655139.db2.gz IATPGCFRMDBQKP-CYBMUJFWSA-N 1 2 330.388 0.877 20 30 ECEDLO CCOC(=O)[C@](C)(O)C[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000355081794 437668575 /nfs/dbraw/zinc/66/85/75/437668575.db2.gz TZDOWJHXJKOPOV-JBBXEZCESA-N 1 2 343.383 0.646 20 30 ECEDLO CCOC(=O)[C@](C)(O)C[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000355081794 437668580 /nfs/dbraw/zinc/66/85/80/437668580.db2.gz TZDOWJHXJKOPOV-JBBXEZCESA-N 1 2 343.383 0.646 20 30 ECEDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@@H]2CCCS2)CCO1 ZINC000331232726 437721698 /nfs/dbraw/zinc/72/16/98/437721698.db2.gz JCDWLXGLHVYQSI-NEPJUHHUSA-N 1 2 330.454 0.964 20 30 ECEDLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@@H]2CCCS2)CCO1 ZINC000331232726 437721702 /nfs/dbraw/zinc/72/17/02/437721702.db2.gz JCDWLXGLHVYQSI-NEPJUHHUSA-N 1 2 330.454 0.964 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)CCCC=C)CC1 ZINC000292819661 437723833 /nfs/dbraw/zinc/72/38/33/437723833.db2.gz APMHHMCYNNCLRP-UHFFFAOYSA-N 1 2 327.450 0.040 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)CCCC=C)CC1 ZINC000292819661 437723836 /nfs/dbraw/zinc/72/38/36/437723836.db2.gz APMHHMCYNNCLRP-UHFFFAOYSA-N 1 2 327.450 0.040 20 30 ECEDLO CCS(=O)(=O)C[C@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000331244660 437726187 /nfs/dbraw/zinc/72/61/87/437726187.db2.gz ZQXNWKOMVHYYRS-STQMWFEESA-N 1 2 349.497 0.501 20 30 ECEDLO CCS(=O)(=O)C[C@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000331244660 437726189 /nfs/dbraw/zinc/72/61/89/437726189.db2.gz ZQXNWKOMVHYYRS-STQMWFEESA-N 1 2 349.497 0.501 20 30 ECEDLO C[C@H](NC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1)[C@@H]1CCCO1 ZINC000331252935 437727513 /nfs/dbraw/zinc/72/75/13/437727513.db2.gz UYYGKRQHOUOKTL-XQQFMLRXSA-N 1 2 328.413 0.636 20 30 ECEDLO C[C@H](NC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1)[C@@H]1CCCO1 ZINC000331252935 437727515 /nfs/dbraw/zinc/72/75/15/437727515.db2.gz UYYGKRQHOUOKTL-XQQFMLRXSA-N 1 2 328.413 0.636 20 30 ECEDLO CC(C)S(=O)(=O)N1CCC(NC(=O)NCc2[nH+]ccn2C)CC1 ZINC000331265920 437729817 /nfs/dbraw/zinc/72/98/17/437729817.db2.gz BVTWDEHCYWOHAB-UHFFFAOYSA-N 1 2 343.453 0.626 20 30 ECEDLO CCCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000331286271 437733740 /nfs/dbraw/zinc/73/37/40/437733740.db2.gz AATWLXBHISDOCJ-SNVBAGLBSA-N 1 2 325.369 0.785 20 30 ECEDLO CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000331286271 437733744 /nfs/dbraw/zinc/73/37/44/437733744.db2.gz AATWLXBHISDOCJ-SNVBAGLBSA-N 1 2 325.369 0.785 20 30 ECEDLO CCCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000331286271 437733746 /nfs/dbraw/zinc/73/37/46/437733746.db2.gz AATWLXBHISDOCJ-SNVBAGLBSA-N 1 2 325.369 0.785 20 30 ECEDLO CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000331286271 437733749 /nfs/dbraw/zinc/73/37/49/437733749.db2.gz AATWLXBHISDOCJ-SNVBAGLBSA-N 1 2 325.369 0.785 20 30 ECEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000331290601 437736217 /nfs/dbraw/zinc/73/62/17/437736217.db2.gz KEBVQSPEKVZYNL-UKRRQHHQSA-N 1 2 344.481 0.443 20 30 ECEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000331290601 437736218 /nfs/dbraw/zinc/73/62/18/437736218.db2.gz KEBVQSPEKVZYNL-UKRRQHHQSA-N 1 2 344.481 0.443 20 30 ECEDLO N#CCNC(=O)CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000344303309 437751360 /nfs/dbraw/zinc/75/13/60/437751360.db2.gz SYYRSPHGSWFFHS-UHFFFAOYSA-N 1 2 326.360 0.370 20 30 ECEDLO C[NH+](C)[C@@H](CNC(=O)NCC(=O)NCC#N)c1c(F)cccc1F ZINC000345397654 437789250 /nfs/dbraw/zinc/78/92/50/437789250.db2.gz WPABIKQHHQPBGQ-LBPRGKRZSA-N 1 2 339.346 0.506 20 30 ECEDLO CNC(=O)C[N@@H+]1CCCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000370513817 437795875 /nfs/dbraw/zinc/79/58/75/437795875.db2.gz VMHXJQKRKIKNOH-UHFFFAOYSA-N 1 2 343.383 0.047 20 30 ECEDLO CNC(=O)C[N@H+]1CCCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000370513817 437795881 /nfs/dbraw/zinc/79/58/81/437795881.db2.gz VMHXJQKRKIKNOH-UHFFFAOYSA-N 1 2 343.383 0.047 20 30 ECEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCN(C(=O)c2ccc[nH]2)CC1)C1CC1 ZINC000363655860 437802418 /nfs/dbraw/zinc/80/24/18/437802418.db2.gz VIVSMFJNAWVCGF-GOSISDBHSA-N 1 2 343.431 0.971 20 30 ECEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCN(C(=O)c2ccc[nH]2)CC1)C1CC1 ZINC000363655860 437802422 /nfs/dbraw/zinc/80/24/22/437802422.db2.gz VIVSMFJNAWVCGF-GOSISDBHSA-N 1 2 343.431 0.971 20 30 ECEDLO CC(C)[C@@H](CNS(=O)(=O)CC1(CC#N)CC1)[NH+]1CCOCC1 ZINC000346467790 437811379 /nfs/dbraw/zinc/81/13/79/437811379.db2.gz UEBDHAUZHSIWAS-CQSZACIVSA-N 1 2 329.466 0.956 20 30 ECEDLO CC(C)[C@@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1nc(-c2nc[nH]n2)no1 ZINC000347184182 437847365 /nfs/dbraw/zinc/84/73/65/437847365.db2.gz BRDBEQPJDUBLHR-LLVKDONJSA-N 1 2 344.379 0.704 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000370880119 437853873 /nfs/dbraw/zinc/85/38/73/437853873.db2.gz CHOZKPRKDBBNAS-INIZCTEOSA-N 1 2 348.491 0.991 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C2(C(N)=O)CCCC2)CC1 ZINC000370880119 437853877 /nfs/dbraw/zinc/85/38/77/437853877.db2.gz CHOZKPRKDBBNAS-INIZCTEOSA-N 1 2 348.491 0.991 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCO[C@H](CC)C2)CC1 ZINC000371672792 437976516 /nfs/dbraw/zinc/97/65/16/437976516.db2.gz VFJOLWKGFJNHPU-HZPDHXFCSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCO[C@H](CC)C2)CC1 ZINC000371672792 437976521 /nfs/dbraw/zinc/97/65/21/437976521.db2.gz VFJOLWKGFJNHPU-HZPDHXFCSA-N 1 2 335.448 0.475 20 30 ECEDLO Cc1ncc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)cc1C#N ZINC000416672634 437987231 /nfs/dbraw/zinc/98/72/31/437987231.db2.gz YZXILLWWENZPGD-NWDGAFQWSA-N 1 2 338.433 0.337 20 30 ECEDLO Cc1ncc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)cc1C#N ZINC000416672634 437987233 /nfs/dbraw/zinc/98/72/33/437987233.db2.gz YZXILLWWENZPGD-NWDGAFQWSA-N 1 2 338.433 0.337 20 30 ECEDLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1 ZINC000425197062 438018353 /nfs/dbraw/zinc/01/83/53/438018353.db2.gz BIVVRVOLPFADHC-CYBMUJFWSA-N 1 2 332.470 0.508 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@@H+](CC(=O)OC)C2)nn1 ZINC000425312664 438022266 /nfs/dbraw/zinc/02/22/66/438022266.db2.gz KGKQABNAJXXURK-ZDUSSCGKSA-N 1 2 335.408 0.469 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)OC)C2)nn1 ZINC000425312664 438022273 /nfs/dbraw/zinc/02/22/73/438022273.db2.gz KGKQABNAJXXURK-ZDUSSCGKSA-N 1 2 335.408 0.469 20 30 ECEDLO CCOC(=O)[C@@](C)(O)C[N@@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000372478522 438088523 /nfs/dbraw/zinc/08/85/23/438088523.db2.gz SSQFVSGWONZYBO-SFHVURJKSA-N 1 2 345.399 0.517 20 30 ECEDLO CCOC(=O)[C@@](C)(O)C[N@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000372478522 438088529 /nfs/dbraw/zinc/08/85/29/438088529.db2.gz SSQFVSGWONZYBO-SFHVURJKSA-N 1 2 345.399 0.517 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000366583553 438098382 /nfs/dbraw/zinc/09/83/82/438098382.db2.gz WCDHEZUMJLTFJW-HEHGZKQESA-N 1 2 325.409 0.657 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000366583553 438098384 /nfs/dbraw/zinc/09/83/84/438098384.db2.gz WCDHEZUMJLTFJW-HEHGZKQESA-N 1 2 325.409 0.657 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCCc2cn[nH]c21 ZINC000372877857 438117956 /nfs/dbraw/zinc/11/79/56/438117956.db2.gz FNABJICXNALTLR-HNNXBMFYSA-N 1 2 331.420 0.904 20 30 ECEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CCC1 ZINC000372613441 438106176 /nfs/dbraw/zinc/10/61/76/438106176.db2.gz YHBYWXQHYOIMAP-GFCCVEGCSA-N 1 2 332.364 0.991 20 30 ECEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CCC1 ZINC000372613441 438106180 /nfs/dbraw/zinc/10/61/80/438106180.db2.gz YHBYWXQHYOIMAP-GFCCVEGCSA-N 1 2 332.364 0.991 20 30 ECEDLO N#CCOc1cccc(CC(=O)N2CCC[N@@H+](CC(N)=O)CC2)c1 ZINC000366882539 438139635 /nfs/dbraw/zinc/13/96/35/438139635.db2.gz LPJFLQMVOYAIMC-UHFFFAOYSA-N 1 2 330.388 0.151 20 30 ECEDLO N#CCOc1cccc(CC(=O)N2CCC[N@H+](CC(N)=O)CC2)c1 ZINC000366882539 438139636 /nfs/dbraw/zinc/13/96/36/438139636.db2.gz LPJFLQMVOYAIMC-UHFFFAOYSA-N 1 2 330.388 0.151 20 30 ECEDLO CC1(C#N)CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000373297559 438142607 /nfs/dbraw/zinc/14/26/07/438142607.db2.gz YYWKSKXXMUMXKM-OAHLLOKOSA-N 1 2 348.447 0.319 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H]1C ZINC000349775139 438179041 /nfs/dbraw/zinc/17/90/41/438179041.db2.gz JWCVBWPWDYRNDO-MCIONIFRSA-N 1 2 330.454 0.118 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000349804831 438181277 /nfs/dbraw/zinc/18/12/77/438181277.db2.gz VTZCOFGMYUVJBL-RBSFLKMASA-N 1 2 344.481 0.508 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@@H]2C[C@@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000374503974 438213221 /nfs/dbraw/zinc/21/32/21/438213221.db2.gz KHUFRPFPOQWSQQ-NDBYEHHHSA-N 1 2 339.392 0.182 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@@H]2C[C@@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000374503974 438213224 /nfs/dbraw/zinc/21/32/24/438213224.db2.gz KHUFRPFPOQWSQQ-NDBYEHHHSA-N 1 2 339.392 0.182 20 30 ECEDLO C#CCCCCC(=O)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000374716191 438226172 /nfs/dbraw/zinc/22/61/72/438226172.db2.gz KYFUORIESPKQJW-INIZCTEOSA-N 1 2 335.448 0.619 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H](C#N)CCc1ccccc1 ZINC000433381998 438244251 /nfs/dbraw/zinc/24/42/51/438244251.db2.gz BLOVACSUKWTRDK-ROUUACIJSA-N 1 2 345.443 0.910 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2(OCC)CCCC2)CC1 ZINC000375673419 438259867 /nfs/dbraw/zinc/25/98/67/438259867.db2.gz PUCRUUITGZAZIP-UHFFFAOYSA-N 1 2 335.448 0.619 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(OCC)CCCC2)CC1 ZINC000375673419 438259876 /nfs/dbraw/zinc/25/98/76/438259876.db2.gz PUCRUUITGZAZIP-UHFFFAOYSA-N 1 2 335.448 0.619 20 30 ECEDLO Cc1oc(C#N)cc1C(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000377065994 438302610 /nfs/dbraw/zinc/30/26/10/438302610.db2.gz GHOBBVLGNOGMLV-HNNXBMFYSA-N 1 2 330.388 0.886 20 30 ECEDLO C=CCOC[C@@H](NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)C(=O)OC ZINC000435948922 438394310 /nfs/dbraw/zinc/39/43/10/438394310.db2.gz JYJADCNMESRNOU-CABCVRRESA-N 1 2 340.420 0.348 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000435585897 438371172 /nfs/dbraw/zinc/37/11/72/438371172.db2.gz WQYVMKAGDONZCX-GJZGRUSLSA-N 1 2 332.466 0.609 20 30 ECEDLO C=CCOC[C@@H](NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1)C(=O)OC ZINC000435948922 438394315 /nfs/dbraw/zinc/39/43/15/438394315.db2.gz JYJADCNMESRNOU-CABCVRRESA-N 1 2 340.420 0.348 20 30 ECEDLO C=CCC[C@H]1NC(=O)N(CC[NH+]2CCN(c3ncccn3)CC2)C1=O ZINC000419953895 438379935 /nfs/dbraw/zinc/37/99/35/438379935.db2.gz PZBRITOUJOYKKL-CQSZACIVSA-N 1 2 344.419 0.485 20 30 ECEDLO N#CC1(F)CC[NH+](CC(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC000352467081 438427307 /nfs/dbraw/zinc/42/73/07/438427307.db2.gz IIDROYWSBKYSTP-UHFFFAOYSA-N 1 2 332.383 0.453 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000368914509 438399554 /nfs/dbraw/zinc/39/95/54/438399554.db2.gz XOJYZHHRMVMGNA-LSDHHAIUSA-N 1 2 336.436 0.460 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000368914509 438399557 /nfs/dbraw/zinc/39/95/57/438399557.db2.gz XOJYZHHRMVMGNA-LSDHHAIUSA-N 1 2 336.436 0.460 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000359698676 438481945 /nfs/dbraw/zinc/48/19/45/438481945.db2.gz WMGMKKJQVIDWRG-CQSZACIVSA-N 1 2 332.404 0.438 20 30 ECEDLO Cc1[nH+]c[nH]c1CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000359515069 438450954 /nfs/dbraw/zinc/45/09/54/438450954.db2.gz QWHUDPLTYRCDHP-UHFFFAOYSA-N 1 2 347.400 0.527 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cncc(OC)n2)CC1 ZINC000369356607 438460814 /nfs/dbraw/zinc/46/08/14/438460814.db2.gz XPUJIPNQWJUFPG-LBPRGKRZSA-N 1 2 348.407 0.008 20 30 ECEDLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000440267506 438540633 /nfs/dbraw/zinc/54/06/33/438540633.db2.gz DYMIIOSRHRGUHR-LLVKDONJSA-N 1 2 332.408 0.611 20 30 ECEDLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000440267506 438540635 /nfs/dbraw/zinc/54/06/35/438540635.db2.gz DYMIIOSRHRGUHR-LLVKDONJSA-N 1 2 332.408 0.611 20 30 ECEDLO Cc1nc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)ccc1C#N ZINC000353191843 438503290 /nfs/dbraw/zinc/50/32/90/438503290.db2.gz LGTZJEDLWQASSN-INIZCTEOSA-N 1 2 344.415 0.825 20 30 ECEDLO COC(=O)CN1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000370024222 438541086 /nfs/dbraw/zinc/54/10/86/438541086.db2.gz BCOOQROKLYKDTF-UHFFFAOYSA-N 1 2 336.436 0.510 20 30 ECEDLO COC(=O)CN1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000370024222 438541090 /nfs/dbraw/zinc/54/10/90/438541090.db2.gz BCOOQROKLYKDTF-UHFFFAOYSA-N 1 2 336.436 0.510 20 30 ECEDLO COC(=O)CN(CC#N)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000353776749 438533456 /nfs/dbraw/zinc/53/34/56/438533456.db2.gz IYBPDHLRADOZPS-UHFFFAOYSA-N 1 2 348.384 0.619 20 30 ECEDLO C#CCNC(=O)C1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000370271136 438566163 /nfs/dbraw/zinc/56/61/63/438566163.db2.gz QAWYYAPZGVRPIQ-KRWDZBQOSA-N 1 2 347.459 0.475 20 30 ECEDLO C#CCNC(=O)C1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000370271136 438566165 /nfs/dbraw/zinc/56/61/65/438566165.db2.gz QAWYYAPZGVRPIQ-KRWDZBQOSA-N 1 2 347.459 0.475 20 30 ECEDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(C#N)c(O)c2)C[C@@H]1C ZINC000442802579 438625709 /nfs/dbraw/zinc/62/57/09/438625709.db2.gz RQQRLOUUFSMXPH-LBPRGKRZSA-N 1 2 331.372 0.973 20 30 ECEDLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(C#N)c(O)c2)C[C@@H]1C ZINC000442802579 438625714 /nfs/dbraw/zinc/62/57/14/438625714.db2.gz RQQRLOUUFSMXPH-LBPRGKRZSA-N 1 2 331.372 0.973 20 30 ECEDLO C[N@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@H](CCc2ccccc2)C1=O ZINC000414108726 438699607 /nfs/dbraw/zinc/69/96/07/438699607.db2.gz MIYQFSBQRQWHCL-JKSUJKDBSA-N 1 2 344.415 0.746 20 30 ECEDLO C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@H](CCc2ccccc2)C1=O ZINC000414108726 438699610 /nfs/dbraw/zinc/69/96/10/438699610.db2.gz MIYQFSBQRQWHCL-JKSUJKDBSA-N 1 2 344.415 0.746 20 30 ECEDLO COC(=O)c1ccc(OC[C@H](O)C[N@H+](C)CCC#N)c([N+](=O)[O-])c1 ZINC000414121721 438699674 /nfs/dbraw/zinc/69/96/74/438699674.db2.gz FIRYHVUHBTWACC-GFCCVEGCSA-N 1 2 337.332 0.967 20 30 ECEDLO COC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)c([N+](=O)[O-])c1 ZINC000414121721 438699677 /nfs/dbraw/zinc/69/96/77/438699677.db2.gz FIRYHVUHBTWACC-GFCCVEGCSA-N 1 2 337.332 0.967 20 30 ECEDLO C[N@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@@](C)(c2ccccc2F)C1=O ZINC000414130313 438699917 /nfs/dbraw/zinc/69/99/17/438699917.db2.gz JIFVDFBJVKHJLT-SJCJKPOMSA-N 1 2 348.378 0.799 20 30 ECEDLO C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@@](C)(c2ccccc2F)C1=O ZINC000414130313 438699920 /nfs/dbraw/zinc/69/99/20/438699920.db2.gz JIFVDFBJVKHJLT-SJCJKPOMSA-N 1 2 348.378 0.799 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)c2cnccc2C#N)C1=O ZINC000553643507 438755573 /nfs/dbraw/zinc/75/55/73/438755573.db2.gz YZHKCYFUHDJSQE-CQSZACIVSA-N 1 2 338.371 0.608 20 30 ECEDLO C=CCC[C@@H](CO)NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000454892377 438733181 /nfs/dbraw/zinc/73/31/81/438733181.db2.gz QMTBCBQKXWYXLC-AWEZNQCLSA-N 1 2 337.424 0.664 20 30 ECEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000575412113 438748544 /nfs/dbraw/zinc/74/85/44/438748544.db2.gz MZWXIWRYXOYVBM-LBPRGKRZSA-N 1 2 327.388 0.979 20 30 ECEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1S(=O)(=O)CC1(C#N)CCC1 ZINC000554907094 438770550 /nfs/dbraw/zinc/77/05/50/438770550.db2.gz BAZMEQAHPWAJCJ-UONOGXRCSA-N 1 2 327.450 0.805 20 30 ECEDLO CC(C)Nc1nc(N[C@H](C)c2cccc(C#N)c2)nc(NCCO)[nH+]1 ZINC000587989098 438812249 /nfs/dbraw/zinc/81/22/49/438812249.db2.gz ISUPXMQSDGPKNM-GFCCVEGCSA-N 1 2 341.419 0.407 20 30 ECEDLO CC(C)Nc1nc(NCCO)[nH+]c(N[C@H](C)c2cccc(C#N)c2)n1 ZINC000587989098 438812253 /nfs/dbraw/zinc/81/22/53/438812253.db2.gz ISUPXMQSDGPKNM-GFCCVEGCSA-N 1 2 341.419 0.407 20 30 ECEDLO CC(C)Nc1nc(NCCO)nc(N[C@H](C)c2cccc(C#N)c2)[nH+]1 ZINC000587989098 438812259 /nfs/dbraw/zinc/81/22/59/438812259.db2.gz ISUPXMQSDGPKNM-GFCCVEGCSA-N 1 2 341.419 0.407 20 30 ECEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000577188239 438820150 /nfs/dbraw/zinc/82/01/50/438820150.db2.gz ATSMSZVHZZKSBJ-CYBMUJFWSA-N 1 2 338.433 0.275 20 30 ECEDLO C=CCCS(=O)(=O)NC1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000515073787 438851249 /nfs/dbraw/zinc/85/12/49/438851249.db2.gz TXRWIKZCDMYTCA-UHFFFAOYSA-N 1 2 331.482 0.815 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000601453427 438900182 /nfs/dbraw/zinc/90/01/82/438900182.db2.gz SQVXQOYGTXOQLB-MGPQQGTHSA-N 1 2 344.481 0.412 20 30 ECEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)[C@H](CO)C1 ZINC000601469225 438907304 /nfs/dbraw/zinc/90/73/04/438907304.db2.gz MZYKFHPSDCFMIR-NSHDSACASA-N 1 2 329.809 0.509 20 30 ECEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)[C@H](CO)C1 ZINC000601469225 438907309 /nfs/dbraw/zinc/90/73/09/438907309.db2.gz MZYKFHPSDCFMIR-NSHDSACASA-N 1 2 329.809 0.509 20 30 ECEDLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000595823610 438866513 /nfs/dbraw/zinc/86/65/13/438866513.db2.gz OXJFLAKUAHSBAW-LSDHHAIUSA-N 1 2 329.404 0.772 20 30 ECEDLO CN(C)C(=O)N(C)[C@H]1CC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000595823610 438866519 /nfs/dbraw/zinc/86/65/19/438866519.db2.gz OXJFLAKUAHSBAW-LSDHHAIUSA-N 1 2 329.404 0.772 20 30 ECEDLO CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@](C)(C#N)C[NH+](C)C)C2=O ZINC000565051706 438909045 /nfs/dbraw/zinc/90/90/45/438909045.db2.gz QUGQCISJIGUKRC-PTXATLKXSA-N 1 2 349.435 0.447 20 30 ECEDLO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@]2(C(N)=O)CCOC2)c1C ZINC000565164977 438922697 /nfs/dbraw/zinc/92/26/97/438922697.db2.gz OLTPAPLUKPHBKL-GOSISDBHSA-N 1 2 344.415 0.784 20 30 ECEDLO C=C(CC)CNC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000459073592 438942493 /nfs/dbraw/zinc/94/24/93/438942493.db2.gz JRSKBWYPGOSEDA-OAHLLOKOSA-N 1 2 338.452 0.527 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCc1ccc(C#N)cc1 ZINC000596672088 438988389 /nfs/dbraw/zinc/98/83/89/438988389.db2.gz KXYDZEFDKNOFBW-KRWDZBQOSA-N 1 2 346.431 0.435 20 30 ECEDLO CC[C@H](C)[C@H](NC(=O)[C@H](C)CC#N)C(=O)NCC[NH+]1CCOCC1 ZINC000597207966 439057346 /nfs/dbraw/zinc/05/73/46/439057346.db2.gz IHWUKRMCTMNOJF-ZNMIVQPWSA-N 1 2 338.452 0.515 20 30 ECEDLO CCOc1ccc(OCCNC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592148660 439166971 /nfs/dbraw/zinc/16/69/71/439166971.db2.gz YMUYNSQLNDLRQJ-GOSISDBHSA-N 1 2 347.415 0.931 20 30 ECEDLO CCOc1ccc(OCCNC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592148660 439166975 /nfs/dbraw/zinc/16/69/75/439166975.db2.gz YMUYNSQLNDLRQJ-GOSISDBHSA-N 1 2 347.415 0.931 20 30 ECEDLO CO[C@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@](C)(CO)C1 ZINC000602963421 439170773 /nfs/dbraw/zinc/17/07/73/439170773.db2.gz FRPPYWFFQXPNIH-ZBFHGGJFSA-N 1 2 338.429 0.804 20 30 ECEDLO CO[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@](C)(CO)C1 ZINC000602963421 439170777 /nfs/dbraw/zinc/17/07/77/439170777.db2.gz FRPPYWFFQXPNIH-ZBFHGGJFSA-N 1 2 338.429 0.804 20 30 ECEDLO C=CCn1cc(CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)nn1 ZINC000567734058 439170894 /nfs/dbraw/zinc/17/08/94/439170894.db2.gz JLDNFBLVRHXNSX-DZGCQCFKSA-N 1 2 334.424 0.469 20 30 ECEDLO C[C@H]1Oc2ccccc2N(CC(=O)N[C@](C)(C#N)C[NH+](C)C)C1=O ZINC000567165380 439118927 /nfs/dbraw/zinc/11/89/27/439118927.db2.gz MEQCKGWLXGGHJA-SJKOYZFVSA-N 1 2 330.388 0.761 20 30 ECEDLO C[C@H](NS(=O)(=O)Cc1ccc(CC#N)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000592037624 439138896 /nfs/dbraw/zinc/13/88/96/439138896.db2.gz UTGDARAIYGBVTL-BBRMVZONSA-N 1 2 337.445 0.891 20 30 ECEDLO C[C@H](NS(=O)(=O)Cc1ccc(CC#N)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000592037624 439138900 /nfs/dbraw/zinc/13/89/00/439138900.db2.gz UTGDARAIYGBVTL-BBRMVZONSA-N 1 2 337.445 0.891 20 30 ECEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000602862824 439147740 /nfs/dbraw/zinc/14/77/40/439147740.db2.gz KCGREQXFCJZYGR-MCIONIFRSA-N 1 2 343.449 0.073 20 30 ECEDLO CCc1ccccc1NC(=O)CNC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592146337 439164442 /nfs/dbraw/zinc/16/44/42/439164442.db2.gz BRKDGXSUHHFWHE-GOSISDBHSA-N 1 2 344.415 0.654 20 30 ECEDLO CCc1ccccc1NC(=O)CNC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592146337 439164448 /nfs/dbraw/zinc/16/44/48/439164448.db2.gz BRKDGXSUHHFWHE-GOSISDBHSA-N 1 2 344.415 0.654 20 30 ECEDLO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149347 439166096 /nfs/dbraw/zinc/16/60/96/439166096.db2.gz NHMMHTDQIVYLED-YVEFUNNKSA-N 1 2 339.403 1.031 20 30 ECEDLO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149347 439166100 /nfs/dbraw/zinc/16/61/00/439166100.db2.gz NHMMHTDQIVYLED-YVEFUNNKSA-N 1 2 339.403 1.031 20 30 ECEDLO COC(=O)c1cccc(C[N@@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)c1C#N ZINC000592200249 439180468 /nfs/dbraw/zinc/18/04/68/439180468.db2.gz VIPQLAOXPWJBRY-OLZOCXBDSA-N 1 2 332.356 0.701 20 30 ECEDLO COC(=O)c1cccc(C[N@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)c1C#N ZINC000592200249 439180471 /nfs/dbraw/zinc/18/04/71/439180471.db2.gz VIPQLAOXPWJBRY-OLZOCXBDSA-N 1 2 332.356 0.701 20 30 ECEDLO CCOC(=O)[C@H]1CCCN(C(=O)C[NH+]2CCN(CCC#N)CC2)C1 ZINC000603017822 439184228 /nfs/dbraw/zinc/18/42/28/439184228.db2.gz PXHTWIBKOZIKQE-HNNXBMFYSA-N 1 2 336.436 0.319 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCC1)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000527049128 439251476 /nfs/dbraw/zinc/25/14/76/439251476.db2.gz QTYORMZCPJUYSZ-CQSZACIVSA-N 1 2 330.436 0.489 20 30 ECEDLO Cc1c(C#N)c(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)nn1C ZINC000592648177 439263396 /nfs/dbraw/zinc/26/33/96/439263396.db2.gz ZZASKRYBJXRJDE-MRXNPFEDSA-N 1 2 339.399 1.440 20 30 ECEDLO Cc1c(C#N)c(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)nn1C ZINC000592648177 439263401 /nfs/dbraw/zinc/26/34/01/439263401.db2.gz ZZASKRYBJXRJDE-MRXNPFEDSA-N 1 2 339.399 1.440 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\c2ncccc2C)CC1 ZINC000490986531 439319298 /nfs/dbraw/zinc/31/92/98/439319298.db2.gz UDEIJLKBRRDVBJ-FPLPWBNLSA-N 1 2 340.427 0.687 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\c2ncccc2C)CC1 ZINC000490986531 439319304 /nfs/dbraw/zinc/31/93/04/439319304.db2.gz UDEIJLKBRRDVBJ-FPLPWBNLSA-N 1 2 340.427 0.687 20 30 ECEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc(Cn2cccnc2=O)c1 ZINC000569332866 439323806 /nfs/dbraw/zinc/32/38/06/439323806.db2.gz DXPHRSKURRFCML-QGZVFWFLSA-N 1 2 341.415 0.910 20 30 ECEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(Cn2cccnc2=O)c1 ZINC000569332866 439323821 /nfs/dbraw/zinc/32/38/21/439323821.db2.gz DXPHRSKURRFCML-QGZVFWFLSA-N 1 2 341.415 0.910 20 30 ECEDLO C[C@H]1CO[C@@H](CO)C[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528402166 439334309 /nfs/dbraw/zinc/33/43/09/439334309.db2.gz CTKQEVMJMABHOW-UONOGXRCSA-N 1 2 328.368 0.368 20 30 ECEDLO C[C@H]1CO[C@@H](CO)C[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528402166 439334313 /nfs/dbraw/zinc/33/43/13/439334313.db2.gz CTKQEVMJMABHOW-UONOGXRCSA-N 1 2 328.368 0.368 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)c2ccccn2)CC1 ZINC000491121695 439334472 /nfs/dbraw/zinc/33/44/72/439334472.db2.gz RUIIEPZCOMNBDZ-OAHLLOKOSA-N 1 2 328.416 0.469 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)c2ccccn2)CC1 ZINC000491121695 439334477 /nfs/dbraw/zinc/33/44/77/439334477.db2.gz RUIIEPZCOMNBDZ-OAHLLOKOSA-N 1 2 328.416 0.469 20 30 ECEDLO N#Cc1ccc(CC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cn1 ZINC000528412302 439336388 /nfs/dbraw/zinc/33/63/88/439336388.db2.gz PUHLFTMKBNRPTB-UHFFFAOYSA-N 1 2 340.387 0.663 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CON=C(N)c2ccccc2OC)CC1 ZINC000490761791 439295805 /nfs/dbraw/zinc/29/58/05/439295805.db2.gz WOSCNOQJYYRVMB-UHFFFAOYSA-N 1 2 330.388 0.319 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C3CC3)cn2)CC1 ZINC000490778837 439298107 /nfs/dbraw/zinc/29/81/07/439298107.db2.gz MKMSFMQKACAYQA-UHFFFAOYSA-N 1 2 340.427 0.856 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C3CC3)cn2)CC1 ZINC000490778837 439298114 /nfs/dbraw/zinc/29/81/14/439298114.db2.gz MKMSFMQKACAYQA-UHFFFAOYSA-N 1 2 340.427 0.856 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)N[C@](CC)(C(C)C)C2=O)CC1 ZINC000490779343 439298174 /nfs/dbraw/zinc/29/81/74/439298174.db2.gz VEIAQLRVHOFPDZ-QGZVFWFLSA-N 1 2 334.420 0.120 20 30 ECEDLO C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)N1C(=O)c2ccccc2C1=O ZINC000582184479 439302815 /nfs/dbraw/zinc/30/28/15/439302815.db2.gz BZAMEDRSFYSHMU-PIGZYNQJSA-N 1 2 328.372 0.631 20 30 ECEDLO C#CC[N@@H+](C[C@@H](O)COc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000490838486 439303522 /nfs/dbraw/zinc/30/35/22/439303522.db2.gz CCQCREALVDGCNQ-JKSUJKDBSA-N 1 2 337.441 0.857 20 30 ECEDLO C#CC[N@H+](C[C@@H](O)COc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000490838486 439303528 /nfs/dbraw/zinc/30/35/28/439303528.db2.gz CCQCREALVDGCNQ-JKSUJKDBSA-N 1 2 337.441 0.857 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(CC(=O)N(C)C)c2ccccc2)CC1 ZINC000490853614 439306125 /nfs/dbraw/zinc/30/61/25/439306125.db2.gz UPPDIOABIGXYGJ-UHFFFAOYSA-N 1 2 342.443 0.359 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](Cc2nc3ccc(OC)nc3[nH]2)CC1 ZINC000491305904 439364713 /nfs/dbraw/zinc/36/47/13/439364713.db2.gz KPIGWGPMFPZUBE-UHFFFAOYSA-N 1 2 327.388 0.928 20 30 ECEDLO C[C@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@@H](C(N)=O)C1 ZINC000528467252 439339497 /nfs/dbraw/zinc/33/94/97/439339497.db2.gz YVRMBRNDGBIMTE-XJKSGUPXSA-N 1 2 339.395 0.872 20 30 ECEDLO C[C@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@@H](C(N)=O)C1 ZINC000528467252 439339501 /nfs/dbraw/zinc/33/95/01/439339501.db2.gz YVRMBRNDGBIMTE-XJKSGUPXSA-N 1 2 339.395 0.872 20 30 ECEDLO C#C[C@H]1COCCN1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000491340595 439367679 /nfs/dbraw/zinc/36/76/79/439367679.db2.gz YVZMZZUISMVTQW-HNNXBMFYSA-N 1 2 330.388 0.462 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)CC1 ZINC000491506619 439397008 /nfs/dbraw/zinc/39/70/08/439397008.db2.gz QNJVEWCFZJJHGD-UHFFFAOYSA-N 1 2 344.802 0.827 20 30 ECEDLO COC(=O)[C@H]1CCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000599284821 439415423 /nfs/dbraw/zinc/41/54/23/439415423.db2.gz DXSDVKRYBRIKTK-OAHLLOKOSA-N 1 2 326.352 0.923 20 30 ECEDLO COC(=O)[C@H]1CCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000599284821 439415429 /nfs/dbraw/zinc/41/54/29/439415429.db2.gz DXSDVKRYBRIKTK-OAHLLOKOSA-N 1 2 326.352 0.923 20 30 ECEDLO C#C[C@@H]1COCCN1C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000491634610 439416426 /nfs/dbraw/zinc/41/64/26/439416426.db2.gz UGPVJAVRQFDXSI-HUUCEWRRSA-N 1 2 332.404 0.344 20 30 ECEDLO C#C[C@@H]1COCCN1C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000491634610 439416432 /nfs/dbraw/zinc/41/64/32/439416432.db2.gz UGPVJAVRQFDXSI-HUUCEWRRSA-N 1 2 332.404 0.344 20 30 ECEDLO CNc1cc2c(nn1)CC[N@H+](C[C@H](O)COc1ccccc1C#N)C2 ZINC000599286447 439416839 /nfs/dbraw/zinc/41/68/39/439416839.db2.gz CYUMDQWWUVLFPN-HNNXBMFYSA-N 1 2 339.399 1.188 20 30 ECEDLO CNc1cc2c(nn1)CC[N@@H+](C[C@H](O)COc1ccccc1C#N)C2 ZINC000599286447 439416842 /nfs/dbraw/zinc/41/68/42/439416842.db2.gz CYUMDQWWUVLFPN-HNNXBMFYSA-N 1 2 339.399 1.188 20 30 ECEDLO C#C[C@H](C)N(C)C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000491656032 439419533 /nfs/dbraw/zinc/41/95/33/439419533.db2.gz CYYDPWZKXBZTBQ-HNNXBMFYSA-N 1 2 342.443 0.853 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN[C@@H](c2cnn(C)c2)C(F)(F)F)CC1 ZINC000491678355 439427245 /nfs/dbraw/zinc/42/72/45/439427245.db2.gz AWTHCWDAEUPJBI-AWEZNQCLSA-N 1 2 343.353 0.391 20 30 ECEDLO N#CC1(CS(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CCCCC1 ZINC000593651282 439436533 /nfs/dbraw/zinc/43/65/33/439436533.db2.gz BTIRWSGWZJPCGD-CQSZACIVSA-N 1 2 327.450 0.541 20 30 ECEDLO N#CC1(CS(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CCCCC1 ZINC000593651282 439436538 /nfs/dbraw/zinc/43/65/38/439436538.db2.gz BTIRWSGWZJPCGD-CQSZACIVSA-N 1 2 327.450 0.541 20 30 ECEDLO C#CC[N@@H+](CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C)C1CC1 ZINC000491735005 439437700 /nfs/dbraw/zinc/43/77/00/439437700.db2.gz TZFPBBFIHQLPHW-GFCCVEGCSA-N 1 2 347.440 0.709 20 30 ECEDLO C#CC[N@H+](CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C)C1CC1 ZINC000491735005 439437704 /nfs/dbraw/zinc/43/77/04/439437704.db2.gz TZFPBBFIHQLPHW-GFCCVEGCSA-N 1 2 347.440 0.709 20 30 ECEDLO COCCOCC[NH+]1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1 ZINC000593666677 439443262 /nfs/dbraw/zinc/44/32/62/439443262.db2.gz PSRZVAPIMGKBPA-UHFFFAOYSA-N 1 2 345.465 0.291 20 30 ECEDLO C#CCNC(=O)CN1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000491769101 439446552 /nfs/dbraw/zinc/44/65/52/439446552.db2.gz LUQNCTMONJBSEH-UHFFFAOYSA-N 1 2 339.399 0.150 20 30 ECEDLO CCOC(=O)C[C@@H](O)C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000599386555 439451993 /nfs/dbraw/zinc/45/19/93/439451993.db2.gz OJFWLQSYFVUOMG-CYBMUJFWSA-N 1 2 335.408 0.036 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(C)n(CC(F)(F)F)n2)CC1 ZINC000491801887 439453877 /nfs/dbraw/zinc/45/38/77/439453877.db2.gz DTYRVOUSBLSTIW-UHFFFAOYSA-N 1 2 343.353 0.943 20 30 ECEDLO COC(=O)[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)C[C@H](C)O1 ZINC000599450417 439474255 /nfs/dbraw/zinc/47/42/55/439474255.db2.gz FRMVCKPLNCXCIM-NOLJZWGESA-N 1 2 334.372 0.560 20 30 ECEDLO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)C[C@H](C)O1 ZINC000599450417 439474259 /nfs/dbraw/zinc/47/42/59/439474259.db2.gz FRMVCKPLNCXCIM-NOLJZWGESA-N 1 2 334.372 0.560 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)CC1 ZINC000491810022 439456789 /nfs/dbraw/zinc/45/67/89/439456789.db2.gz YJKYRHBBUSCHPT-WMZOPIPTSA-N 1 2 335.448 0.034 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)CC1 ZINC000491810022 439456792 /nfs/dbraw/zinc/45/67/92/439456792.db2.gz YJKYRHBBUSCHPT-WMZOPIPTSA-N 1 2 335.448 0.034 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCO[C@H](CCF)C2)CC1 ZINC000599643370 439524976 /nfs/dbraw/zinc/52/49/76/439524976.db2.gz TVYWJUPUMZGTJN-CVEARBPZSA-N 1 2 340.443 0.739 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCO[C@H](CCF)C2)CC1 ZINC000599643370 439524982 /nfs/dbraw/zinc/52/49/82/439524982.db2.gz TVYWJUPUMZGTJN-CVEARBPZSA-N 1 2 340.443 0.739 20 30 ECEDLO CC1CC(C#N)(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000536021066 439538385 /nfs/dbraw/zinc/53/83/85/439538385.db2.gz ZRGATRGFCXMWOA-UHFFFAOYSA-N 1 2 328.420 0.655 20 30 ECEDLO Cn1cc(C[NH+]2CCN(C(=O)NC3CCN(CC#N)CC3)CC2)cn1 ZINC000609340885 439567833 /nfs/dbraw/zinc/56/78/33/439567833.db2.gz GHJLTQHQOKCUHW-UHFFFAOYSA-N 1 2 345.451 0.235 20 30 ECEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1 ZINC000609486070 439570910 /nfs/dbraw/zinc/57/09/10/439570910.db2.gz CJHPHWGPQWMBQF-HOCLYGCPSA-N 1 2 349.479 0.278 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)COC[C@H]1CCCO1 ZINC000609588936 439579998 /nfs/dbraw/zinc/57/99/98/439579998.db2.gz KTMXPNJCBDFPSV-OAHLLOKOSA-N 1 2 325.409 0.256 20 30 ECEDLO C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000585719181 439644640 /nfs/dbraw/zinc/64/46/40/439644640.db2.gz VPWVVKYNKZBHCD-UONOGXRCSA-N 1 2 344.415 0.572 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000585719161 439644823 /nfs/dbraw/zinc/64/48/23/439644823.db2.gz SWJONFSKXDHOIT-GFCCVEGCSA-N 1 2 348.378 0.150 20 30 ECEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)Cn1cnc(C#N)n1)c1ccccc1 ZINC000610885908 439652418 /nfs/dbraw/zinc/65/24/18/439652418.db2.gz MMVNBMAFQGEQPF-CQSZACIVSA-N 1 2 335.371 0.983 20 30 ECEDLO Cc1cc(NC(=O)C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)ncc1C#N ZINC000595124412 439657606 /nfs/dbraw/zinc/65/76/06/439657606.db2.gz CIODINMEJWFEOQ-STQMWFEESA-N 1 2 345.403 0.426 20 30 ECEDLO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)ncc1C#N ZINC000595124412 439657609 /nfs/dbraw/zinc/65/76/09/439657609.db2.gz CIODINMEJWFEOQ-STQMWFEESA-N 1 2 345.403 0.426 20 30 ECEDLO C=CCOCCCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000612414671 439702981 /nfs/dbraw/zinc/70/29/81/439702981.db2.gz OLEMCQIQADHMBF-OAHLLOKOSA-N 1 2 339.436 0.019 20 30 ECEDLO C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611174685 439678324 /nfs/dbraw/zinc/67/83/24/439678324.db2.gz ORWUBYZQBGALBP-LSDHHAIUSA-N 1 2 335.452 0.922 20 30 ECEDLO Cn1c2ncn(CC[N@@H+]3CCC[C@](C)(C#N)C3)c2c(=O)n(C)c1=O ZINC000612164824 439681665 /nfs/dbraw/zinc/68/16/65/439681665.db2.gz GKVYTMAOWDZCKD-MRXNPFEDSA-N 1 2 330.392 0.059 20 30 ECEDLO Cn1c2ncn(CC[N@H+]3CCC[C@](C)(C#N)C3)c2c(=O)n(C)c1=O ZINC000612164824 439681669 /nfs/dbraw/zinc/68/16/69/439681669.db2.gz GKVYTMAOWDZCKD-MRXNPFEDSA-N 1 2 330.392 0.059 20 30 ECEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(c3nc(N)n[nH]3)CC2)cc1 ZINC000595489729 439733826 /nfs/dbraw/zinc/73/38/26/439733826.db2.gz OAXWYQVZRHHIIO-CYBMUJFWSA-N 1 2 325.376 0.665 20 30 ECEDLO C=CCCn1cc(CN2CC[NH+](CC(=O)N[C@H](C)CC)CC2)nn1 ZINC000653483302 440192015 /nfs/dbraw/zinc/19/20/15/440192015.db2.gz FHFMZJVCFHFFKN-OAHLLOKOSA-N 1 2 334.468 0.887 20 30 ECEDLO C=C(C)[C@H](CO)[N@@H+]1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000649233679 440421714 /nfs/dbraw/zinc/42/17/14/440421714.db2.gz RFKKWLVQAFVLOY-AWEZNQCLSA-N 1 2 343.449 0.925 20 30 ECEDLO C=C(C)[C@H](CO)[N@H+]1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000649233679 440421720 /nfs/dbraw/zinc/42/17/20/440421720.db2.gz RFKKWLVQAFVLOY-AWEZNQCLSA-N 1 2 343.449 0.925 20 30 ECEDLO CC#CC[C@@H](CO)NC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000649186405 440410077 /nfs/dbraw/zinc/41/00/77/440410077.db2.gz YQBKHSGRNVGNNX-INIZCTEOSA-N 1 2 346.427 0.952 20 30 ECEDLO CC#CC[C@@H](CO)NC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000649186405 440410081 /nfs/dbraw/zinc/41/00/81/440410081.db2.gz YQBKHSGRNVGNNX-INIZCTEOSA-N 1 2 346.427 0.952 20 30 ECEDLO C=CCOCCCNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000666240013 440604043 /nfs/dbraw/zinc/60/40/43/440604043.db2.gz VKYNAISIVALDSZ-UHFFFAOYSA-N 1 2 337.424 0.930 20 30 ECEDLO C=CC[N@@H+](CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000661755101 440914205 /nfs/dbraw/zinc/91/42/05/440914205.db2.gz JYZZBBQSKAESJE-CQSZACIVSA-N 1 2 346.493 0.935 20 30 ECEDLO C=CC[N@H+](CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000661755101 440914210 /nfs/dbraw/zinc/91/42/10/440914210.db2.gz JYZZBBQSKAESJE-CQSZACIVSA-N 1 2 346.493 0.935 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000661882609 440928888 /nfs/dbraw/zinc/92/88/88/440928888.db2.gz UJCXRDVIOYQMDO-LJISPDSOSA-N 1 2 344.477 0.543 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000661882609 440928895 /nfs/dbraw/zinc/92/88/95/440928895.db2.gz UJCXRDVIOYQMDO-LJISPDSOSA-N 1 2 344.477 0.543 20 30 ECEDLO C=CCCn1cc(C[NH2+][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)nn1 ZINC000657381070 441002156 /nfs/dbraw/zinc/00/21/56/441002156.db2.gz CAWNOUPMNIJTED-DOMZBBRYSA-N 1 2 329.408 0.871 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)nn1 ZINC000641001833 441044725 /nfs/dbraw/zinc/04/47/25/441044725.db2.gz NEBUGEOEPREHNH-HZPDHXFCSA-N 1 2 331.420 0.561 20 30 ECEDLO COc1cc(C#N)ccc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000547416348 322126623 /nfs/dbraw/zinc/12/66/23/322126623.db2.gz PPECWVKPXMYIJN-GFCCVEGCSA-N 1 2 346.387 0.342 20 30 ECEDLO CCS(=O)(=O)NC1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000563151361 322301601 /nfs/dbraw/zinc/30/16/01/322301601.db2.gz RETMCLLOBARIEH-UHFFFAOYSA-N 1 2 348.432 0.505 20 30 ECEDLO CN(C(=O)Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O)C1CC1 ZINC000566886852 322559381 /nfs/dbraw/zinc/55/93/81/322559381.db2.gz BKRFFLPJSDLKEO-UHFFFAOYSA-N 1 2 330.388 0.173 20 30 ECEDLO N#Cc1ccc(CN2CC[NH+](CCS(N)(=O)=O)CC2)c(F)c1 ZINC000174940120 534780863 /nfs/dbraw/zinc/78/08/63/534780863.db2.gz ZFDBLWLNENSEEA-UHFFFAOYSA-N 1 2 326.397 0.103 20 30 ECEDLO CC(=O)N1CC[NH+](CCNC(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000264123817 534787197 /nfs/dbraw/zinc/78/71/97/534787197.db2.gz CYYLDMNALXPGAK-VOTSOKGWSA-N 1 2 326.400 0.852 20 30 ECEDLO C=CCOc1ccc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1OC ZINC000178612896 526847114 /nfs/dbraw/zinc/84/71/14/526847114.db2.gz ZLGFWAISXCTWPG-HNNXBMFYSA-N 1 2 331.416 0.990 20 30 ECEDLO C#CCSCCNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000154779823 527141303 /nfs/dbraw/zinc/14/13/03/527141303.db2.gz HERKAZICEBZLPR-UHFFFAOYSA-N 1 2 338.477 0.302 20 30 ECEDLO C#Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1 ZINC000171298864 527445731 /nfs/dbraw/zinc/44/57/31/527445731.db2.gz DEYBHJFLAALQCV-UHFFFAOYSA-N 1 2 329.400 0.833 20 30 ECEDLO C#Cc1cccc(NC(=O)C(=O)NCC[N@H+]2CCOC(C)(C)C2)c1 ZINC000171298864 527445738 /nfs/dbraw/zinc/44/57/38/527445738.db2.gz DEYBHJFLAALQCV-UHFFFAOYSA-N 1 2 329.400 0.833 20 30 ECEDLO N#C[C@@H]1CN(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CCO1 ZINC000329428591 546023860 /nfs/dbraw/zinc/02/38/60/546023860.db2.gz JRISPHWNGUZFPH-OAHLLOKOSA-N 1 2 349.435 0.069 20 30 ECEDLO C=CCNS(=O)(=O)c1ccc(C(=O)NCc2c[nH+]cn2C)cc1 ZINC000355275630 546155799 /nfs/dbraw/zinc/15/57/99/546155799.db2.gz YVCFHSFNKDQOIM-UHFFFAOYSA-N 1 2 334.401 0.814 20 30 ECEDLO C=C[C@](C)(O)C(=O)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000619942467 546388831 /nfs/dbraw/zinc/38/88/31/546388831.db2.gz RTBPUSHUVXIOIL-ZWKOTPCHSA-N 1 2 334.416 0.303 20 30 ECEDLO C=C[C@](C)(O)C(=O)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000619942467 546388836 /nfs/dbraw/zinc/38/88/36/546388836.db2.gz RTBPUSHUVXIOIL-ZWKOTPCHSA-N 1 2 334.416 0.303 20 30 ECEDLO C=CCOCCCNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000669197744 547850431 /nfs/dbraw/zinc/85/04/31/547850431.db2.gz GZBXAJDIHKNSBC-AWEZNQCLSA-N 1 2 332.404 0.485 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(COC)n2CC=C)CC1 ZINC000669812563 547937462 /nfs/dbraw/zinc/93/74/62/547937462.db2.gz VGVZNUYCGIEMQY-UHFFFAOYSA-N 1 2 334.424 0.035 20 30 ECEDLO C=CCNC(=O)CN1CCN(C(=O)Nc2cc[nH+]cc2N(C)C)CC1 ZINC000670081985 547972693 /nfs/dbraw/zinc/97/26/93/547972693.db2.gz JBGLJJVRCUDAOM-UHFFFAOYSA-N 1 2 346.435 0.021 20 30 ECEDLO COCC#CC[NH+]1CCN(CC(=O)Nc2ccccc2OC)CC1 ZINC000677820148 548959444 /nfs/dbraw/zinc/95/94/44/548959444.db2.gz ZJXOEPJCAUTOBQ-UHFFFAOYSA-N 1 2 331.416 0.901 20 30 ECEDLO C=CCOCCNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000679471346 549095224 /nfs/dbraw/zinc/09/52/24/549095224.db2.gz FXCFXIMZUINSMT-UHFFFAOYSA-N 1 2 340.449 0.632 20 30 ECEDLO C=CCOCCNC(=O)N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000679629400 549110422 /nfs/dbraw/zinc/11/04/22/549110422.db2.gz FNNQOPBPIWNNCZ-UHFFFAOYSA-N 1 2 326.441 0.385 20 30 ECEDLO C#CCOc1ccc(NC(=O)C(=O)N2CC[NH+](CCOC)CC2)cc1 ZINC000749667782 579340684 /nfs/dbraw/zinc/34/06/84/579340684.db2.gz XWBRMMOJQUDFJM-UHFFFAOYSA-N 1 2 345.399 0.428 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 ZINC000751045127 579362524 /nfs/dbraw/zinc/36/25/24/579362524.db2.gz ZCFBWYTYGSXRFI-UHFFFAOYSA-N 1 2 348.384 0.796 20 30 ECEDLO C[C@@H](C(=O)NCCNC(=O)C1N=CC=CC1=O)[NH+]1CCSCC1 ZINC000750811870 579358983 /nfs/dbraw/zinc/35/89/83/579358983.db2.gz RMYACEGIGWZJGK-VJSMGTLGSA-N 1 2 338.433 0.066 20 30 ECEDLO C#CCOc1ccc(NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000751546287 579371056 /nfs/dbraw/zinc/37/10/56/579371056.db2.gz BVBRUEIATIRUQM-INIZCTEOSA-N 1 2 347.415 0.855 20 30 ECEDLO COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000755953513 579442425 /nfs/dbraw/zinc/44/24/25/579442425.db2.gz AGWKGXYBHZTHAT-VOIUYBSRSA-N 1 2 349.456 0.768 20 30 ECEDLO NC(=NOCC(=O)N1CCCC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000725792776 578133732 /nfs/dbraw/zinc/13/37/32/578133732.db2.gz PVVPOIVNKVWMKT-UHFFFAOYSA-N 1 2 346.431 0.778 20 30 ECEDLO CN(C(=O)C[NH+]1CCN(CC(=O)NCCC#N)CC1)C1CCCCC1 ZINC000728574496 578289847 /nfs/dbraw/zinc/28/98/47/578289847.db2.gz CYLRTRDUMLSQPD-UHFFFAOYSA-N 1 2 349.479 0.425 20 30 ECEDLO C#Cc1ccc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cn1 ZINC000728866366 578291504 /nfs/dbraw/zinc/29/15/04/578291504.db2.gz NQGSSZOQEYJRTQ-UHFFFAOYSA-N 1 2 325.372 0.844 20 30 ECEDLO C[C@@H](NC(=O)NCCNc1ncccc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000729603383 578297331 /nfs/dbraw/zinc/29/73/31/578297331.db2.gz GRRJPAUKKUKKCV-KGLIPLIRSA-N 1 2 346.435 0.774 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)c(OCC(N)=O)c1 ZINC000730277796 578304433 /nfs/dbraw/zinc/30/44/33/578304433.db2.gz DUELLFOMDZTMNQ-ZDUSSCGKSA-N 1 2 331.372 0.595 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)c(OCC(N)=O)c1 ZINC000730277796 578304434 /nfs/dbraw/zinc/30/44/34/578304434.db2.gz DUELLFOMDZTMNQ-ZDUSSCGKSA-N 1 2 331.372 0.595 20 30 ECEDLO C#CCOc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCO[C@H](C)C2)cc1 ZINC000731129228 578310568 /nfs/dbraw/zinc/31/05/68/578310568.db2.gz JJFPCRSVKLQGDV-CQSZACIVSA-N 1 2 345.399 0.474 20 30 ECEDLO C#CCOc1ccc(NC(=O)C(=O)NCC[N@H+]2CCO[C@H](C)C2)cc1 ZINC000731129228 578310569 /nfs/dbraw/zinc/31/05/69/578310569.db2.gz JJFPCRSVKLQGDV-CQSZACIVSA-N 1 2 345.399 0.474 20 30 ECEDLO O=c1nc(N[NH+]=Cc2ccccc2N2CCOCC2)nc2[nH][nH]cc1-2 ZINC000731154796 578310821 /nfs/dbraw/zinc/31/08/21/578310821.db2.gz DOTUIXMEGBFJGR-UHFFFAOYSA-N 1 2 339.359 0.715 20 30 ECEDLO C[C@H](ON=C(N)c1ccc(C[NH+]2CCOCC2)cc1)C(=O)NC1CC1 ZINC000733307118 578335847 /nfs/dbraw/zinc/33/58/47/578335847.db2.gz WBTCGXSNCSMQFG-ZDUSSCGKSA-N 1 2 346.431 0.823 20 30 ECEDLO C#CCCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000733645202 578343292 /nfs/dbraw/zinc/34/32/92/578343292.db2.gz IAFDFZMYHPKTAU-UHFFFAOYSA-N 1 2 329.404 0.443 20 30 ECEDLO CCc1c[nH+]ccc1NC(=O)CN=C1NS(=O)(=O)c2ccccc21 ZINC000733884603 578348677 /nfs/dbraw/zinc/34/86/77/578348677.db2.gz IVAQFGSJZZJZIW-UHFFFAOYSA-N 1 2 344.396 0.743 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccccc2-c2nn[nH]n2)CC1 ZINC000735381643 578383118 /nfs/dbraw/zinc/38/31/18/578383118.db2.gz NYTGXUYJPPUHFD-CYBMUJFWSA-N 1 2 340.387 0.411 20 30 ECEDLO C=C(C)C[NH+]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735399755 578383591 /nfs/dbraw/zinc/38/35/91/578383591.db2.gz UZMFHGSBCZJYAD-UHFFFAOYSA-N 1 2 348.432 0.749 20 30 ECEDLO CCO[C@@H]1CC(=NNC(=S)NCC[NH+]2CCOCC2)C1(C)C ZINC000736427610 578428753 /nfs/dbraw/zinc/42/87/53/578428753.db2.gz AXYYOEOIPPGTKA-CYBMUJFWSA-N 1 2 328.482 0.974 20 30 ECEDLO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000799159657 578660006 /nfs/dbraw/zinc/66/00/06/578660006.db2.gz KJLVTOWPXCLZNK-KRWDZBQOSA-N 1 2 333.388 0.969 20 30 ECEDLO CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000799159657 578660007 /nfs/dbraw/zinc/66/00/07/578660007.db2.gz KJLVTOWPXCLZNK-KRWDZBQOSA-N 1 2 333.388 0.969 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000783011830 578737335 /nfs/dbraw/zinc/73/73/35/578737335.db2.gz DFZFALMYSBZINZ-CQSZACIVSA-N 1 2 347.481 0.243 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000783011830 578737336 /nfs/dbraw/zinc/73/73/36/578737336.db2.gz DFZFALMYSBZINZ-CQSZACIVSA-N 1 2 347.481 0.243 20 30 ECEDLO Cc1cc(Br)cn2c(C=NNC3=NC(=O)C(=O)N3)c[nH+]c12 ZINC000783863725 578746913 /nfs/dbraw/zinc/74/69/13/578746913.db2.gz MKXSAMBTECJKEL-UHFFFAOYSA-N 1 2 349.148 0.341 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](CCc2cccc(F)c2F)CC1 ZINC000784224953 578749832 /nfs/dbraw/zinc/74/98/32/578749832.db2.gz ZUTZCLJVOODYOP-UHFFFAOYSA-N 1 2 343.399 0.593 20 30 ECEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000784340889 578750777 /nfs/dbraw/zinc/75/07/77/578750777.db2.gz GHAYRJMMLVGSIB-SNVBAGLBSA-N 1 2 332.326 0.644 20 30 ECEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000784340889 578750778 /nfs/dbraw/zinc/75/07/78/578750778.db2.gz GHAYRJMMLVGSIB-SNVBAGLBSA-N 1 2 332.326 0.644 20 30 ECEDLO COCCN(C)c1ccc(C=[NH+]NC(=S)N[C@@H](C)COC)cn1 ZINC000790148780 578868889 /nfs/dbraw/zinc/86/88/89/578868889.db2.gz LZSFCTLVPOACBZ-LBPRGKRZSA-N 1 2 339.465 0.997 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000765525325 579068504 /nfs/dbraw/zinc/06/85/04/579068504.db2.gz FEESOURRXPWFNW-AWEZNQCLSA-N 1 2 337.420 0.400 20 30 ECEDLO C[C@@H]1C[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C[C@@H]1O ZINC000768767725 579131252 /nfs/dbraw/zinc/13/12/52/579131252.db2.gz FSDWDYSJOCYBJL-OSMZGAPFSA-N 1 2 326.356 0.824 20 30 ECEDLO C[C@@H]1C[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C[C@@H]1O ZINC000768767725 579131253 /nfs/dbraw/zinc/13/12/53/579131253.db2.gz FSDWDYSJOCYBJL-OSMZGAPFSA-N 1 2 326.356 0.824 20 30 ECEDLO N#Cc1ncn(CC(=O)NCc2ccc[nH+]c2N2CCCCC2)n1 ZINC000769146358 579139955 /nfs/dbraw/zinc/13/99/55/579139955.db2.gz FIRQRQOKBKCWNB-UHFFFAOYSA-N 1 2 325.376 0.851 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@]2(CCC)C(=O)OCC)CC1 ZINC000770005160 579157499 /nfs/dbraw/zinc/15/74/99/579157499.db2.gz YIXGBDUCNCGNSW-IBGZPJMESA-N 1 2 349.475 0.962 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@]2(CCC)C(=O)OCC)CC1 ZINC000770005160 579157500 /nfs/dbraw/zinc/15/75/00/579157500.db2.gz YIXGBDUCNCGNSW-IBGZPJMESA-N 1 2 349.475 0.962 20 30 ECEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)c1ccc(F)cn1 ZINC000770591756 579171354 /nfs/dbraw/zinc/17/13/54/579171354.db2.gz ODOWITDJAUYKMD-UHFFFAOYSA-N 1 2 325.413 0.741 20 30 ECEDLO C#CCOc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000773289883 579223997 /nfs/dbraw/zinc/22/39/97/579223997.db2.gz DLWBDGWEZIMKCQ-AWEZNQCLSA-N 1 2 345.399 0.474 20 30 ECEDLO C#CCOc1ccccc1NC(=O)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000773289883 579223998 /nfs/dbraw/zinc/22/39/98/579223998.db2.gz DLWBDGWEZIMKCQ-AWEZNQCLSA-N 1 2 345.399 0.474 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC000778222147 579307273 /nfs/dbraw/zinc/30/72/73/579307273.db2.gz PDPVNXSARCCEMY-UHFFFAOYSA-N 1 2 335.429 0.302 20 30 ECEDLO CC[C@H]1C[C@H](C=NNC(=S)NCC[NH+]2CCOCC2)CCO1 ZINC000779759368 579320240 /nfs/dbraw/zinc/32/02/40/579320240.db2.gz UJMFPXPJEPLROG-KGLIPLIRSA-N 1 2 328.482 0.974 20 30 ECEDLO C[C@H]1CN(C(=O)C[NH+]2CCN(c3cccc(C#N)n3)CC2)CCO1 ZINC000760910170 579517241 /nfs/dbraw/zinc/51/72/41/579517241.db2.gz BSJOYVLIYNCODH-AWEZNQCLSA-N 1 2 329.404 0.323 20 30 ECEDLO C#CCNC(=O)COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741357127 579772744 /nfs/dbraw/zinc/77/27/44/579772744.db2.gz UKBQIZORFOFEQG-INIZCTEOSA-N 1 2 330.384 0.570 20 30 ECEDLO C#CCNC(=O)COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741357127 579772745 /nfs/dbraw/zinc/77/27/45/579772745.db2.gz UKBQIZORFOFEQG-INIZCTEOSA-N 1 2 330.384 0.570 20 30 ECEDLO C=CCNS(=O)(=O)c1cc(C(=O)NCc2c[nH+]c[nH]2)ccc1F ZINC000742180226 579781114 /nfs/dbraw/zinc/78/11/14/579781114.db2.gz SSZUCNXGVLLPLL-UHFFFAOYSA-N 1 2 338.364 0.943 20 30 ECEDLO C=CCNS(=O)(=O)c1cc(C(=O)NCc2c[nH]c[nH+]2)ccc1F ZINC000742180226 579781115 /nfs/dbraw/zinc/78/11/15/579781115.db2.gz SSZUCNXGVLLPLL-UHFFFAOYSA-N 1 2 338.364 0.943 20 30 ECEDLO N#Cc1cccc(-c2nnc(CO[NH+]=C(N)CN3CCOCC3)o2)c1 ZINC000742358506 579786660 /nfs/dbraw/zinc/78/66/60/579786660.db2.gz MNHVHMMQMHCBOF-UHFFFAOYSA-N 1 2 342.359 0.939 20 30 ECEDLO Cc1cccc(CNC(=O)CON=C(N)C[NH+]2CCSCC2)c1 ZINC000121479406 588939211 /nfs/dbraw/zinc/93/92/11/588939211.db2.gz RRZPIPJMVSWOKJ-UHFFFAOYSA-N 1 2 336.461 0.949 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C(=O)NCCc1ccccc1 ZINC000837259441 588946714 /nfs/dbraw/zinc/94/67/14/588946714.db2.gz VXRVSJALRVGCIU-WBVHZDCISA-N 1 2 327.428 0.948 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C(=O)NCCc1ccccc1 ZINC000837259441 588946716 /nfs/dbraw/zinc/94/67/16/588946716.db2.gz VXRVSJALRVGCIU-WBVHZDCISA-N 1 2 327.428 0.948 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1cccc(F)c1C#N ZINC000841573427 588996077 /nfs/dbraw/zinc/99/60/77/588996077.db2.gz MRVHPDJITMNTOQ-NWDGAFQWSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1cccc(F)c1C#N ZINC000841573427 588996078 /nfs/dbraw/zinc/99/60/78/588996078.db2.gz MRVHPDJITMNTOQ-NWDGAFQWSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@]1(C#N)CN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CCO1 ZINC000891696843 586189335 /nfs/dbraw/zinc/18/93/35/586189335.db2.gz XSTGUJZNMNPXCB-KRWDZBQOSA-N 1 2 345.403 0.742 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2c[nH]nc2I)CC1 ZINC000895898589 586210984 /nfs/dbraw/zinc/21/09/84/586210984.db2.gz YQHGPRPDNLHKHD-UHFFFAOYSA-N 1 2 344.156 0.405 20 30 ECEDLO C#CCCCNC(=O)C(=O)N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000897773206 586366566 /nfs/dbraw/zinc/36/65/66/586366566.db2.gz IDLOOYYZLRNOSM-UHFFFAOYSA-N 1 2 337.464 0.865 20 30 ECEDLO O=C(NCC1([NH+]2CCOCC2)CC1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000894451796 586395114 /nfs/dbraw/zinc/39/51/14/586395114.db2.gz JCPXGFHZKZXGCQ-UHFFFAOYSA-N 1 2 349.431 0.899 20 30 ECEDLO COCC[C@@H]1CCN(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)C1=O ZINC000902358290 586735510 /nfs/dbraw/zinc/73/55/10/586735510.db2.gz ADDZNBIXVYTJLS-HNNXBMFYSA-N 1 2 343.431 0.918 20 30 ECEDLO Cn1c[nH+]cc1CCCn1cc(CN2CCOCC2)cc(C#N)c1=O ZINC000902420048 586736602 /nfs/dbraw/zinc/73/66/02/586736602.db2.gz OWKXPKGFEKYNIP-UHFFFAOYSA-N 1 2 341.415 0.918 20 30 ECEDLO C=CCOCC(=O)N1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000907580471 586739692 /nfs/dbraw/zinc/73/96/92/586739692.db2.gz BZHTYFUOOBDZRV-INIZCTEOSA-N 1 2 328.372 0.845 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc([C@H]3CCC(=O)N3)cc2)CC1 ZINC000902784981 586756837 /nfs/dbraw/zinc/75/68/37/586756837.db2.gz LKTXDXLPFBKAEC-QGZVFWFLSA-N 1 2 341.411 0.794 20 30 ECEDLO N#Cc1ccccc1N1CC[NH+]([C@@H]2CC(=O)N(CCCO)C2=O)CC1 ZINC000840739814 586784586 /nfs/dbraw/zinc/78/45/86/586784586.db2.gz GMAPJXORLPLTKM-MRXNPFEDSA-N 1 2 342.399 0.190 20 30 ECEDLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000805479865 586911669 /nfs/dbraw/zinc/91/16/69/586911669.db2.gz VZVXFGFIMVONCA-JKSUJKDBSA-N 1 2 343.383 0.927 20 30 ECEDLO CC[N@H+]1CCO[C@@H](C(=O)O[C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000805479865 586911672 /nfs/dbraw/zinc/91/16/72/586911672.db2.gz VZVXFGFIMVONCA-JKSUJKDBSA-N 1 2 343.383 0.927 20 30 ECEDLO CC#CC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](CC)CC2)c1 ZINC000801115752 586981657 /nfs/dbraw/zinc/98/16/57/586981657.db2.gz DPZQTTBYYFXSJT-UHFFFAOYSA-N 1 2 335.429 0.975 20 30 ECEDLO C[C@H](C#N)OCC[NH+]1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000801924638 587005762 /nfs/dbraw/zinc/00/57/62/587005762.db2.gz XPJVVBJXWOTGMX-GFCCVEGCSA-N 1 2 328.394 0.051 20 30 ECEDLO CN(C)c1c[nH+]ccc1NC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000801923779 587005949 /nfs/dbraw/zinc/00/59/49/587005949.db2.gz NEBVZBMKMAFEDE-CCEZHUSRSA-N 1 2 344.375 0.217 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCOc3cc(OC)ccc3C2)CC1 ZINC000801966290 587006693 /nfs/dbraw/zinc/00/66/93/587006693.db2.gz FVVVEFOTPVSFPO-UHFFFAOYSA-N 1 2 343.427 0.667 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)[C@H]1CCCO1 ZINC000809307071 587173806 /nfs/dbraw/zinc/17/38/06/587173806.db2.gz YGDDCSHQQSOTAO-SOUVJXGZSA-N 1 2 344.415 0.423 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)[C@@H]1CCCO1 ZINC000809310077 587174565 /nfs/dbraw/zinc/17/45/65/587174565.db2.gz ASEJAQGPIUYOEN-ILXRZTDVSA-N 1 2 330.388 0.344 20 30 ECEDLO N#CC[C@@H](O)C[NH+]1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000809577707 587180494 /nfs/dbraw/zinc/18/04/94/587180494.db2.gz AATCPEGHSJRVSC-HUUCEWRRSA-N 1 2 336.823 0.759 20 30 ECEDLO C#CCN1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)CC1 ZINC000810214403 587191689 /nfs/dbraw/zinc/19/16/89/587191689.db2.gz XDKFZMKMVHEBPQ-INIZCTEOSA-N 1 2 345.447 0.261 20 30 ECEDLO C#CC1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000844045230 589090895 /nfs/dbraw/zinc/09/08/95/589090895.db2.gz DEUYBSNPHXDVSG-MRXNPFEDSA-N 1 2 333.432 0.039 20 30 ECEDLO Cn1c[nH+]cc1CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000812196396 587232523 /nfs/dbraw/zinc/23/25/23/587232523.db2.gz PIVZTYPOAXXFSC-DGCLKSJQSA-N 1 2 348.407 0.978 20 30 ECEDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(C#N)o2)CC1 ZINC000814114020 587270249 /nfs/dbraw/zinc/27/02/49/587270249.db2.gz YLZJUOWBERRWPD-UHFFFAOYSA-N 1 2 325.390 0.390 20 30 ECEDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cscc2C#N)CC1 ZINC000815544995 587293406 /nfs/dbraw/zinc/29/34/06/587293406.db2.gz NXXVXIDCMAXTDK-UHFFFAOYSA-N 1 2 341.458 0.859 20 30 ECEDLO CC(C)[C@@H](C(=O)N[C@@H]1CCCN(O)C1=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000816754862 587323914 /nfs/dbraw/zinc/32/39/14/587323914.db2.gz NNSPVHAQKLSVIX-RQJABVFESA-N 1 2 327.425 0.617 20 30 ECEDLO CC(C)[C@@H](C(=O)N[C@@H]1CCCN(O)C1=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000816754862 587323916 /nfs/dbraw/zinc/32/39/16/587323916.db2.gz NNSPVHAQKLSVIX-RQJABVFESA-N 1 2 327.425 0.617 20 30 ECEDLO O=C(N[C@H]1CCN(O)C1=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000820184774 587515733 /nfs/dbraw/zinc/51/57/33/587515733.db2.gz DPACJFNKROOQCK-LSDHHAIUSA-N 1 2 333.388 0.291 20 30 ECEDLO N#C[C@H](CCc1ccccc1)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000823099550 587702309 /nfs/dbraw/zinc/70/23/09/587702309.db2.gz CPRHOOIGBCGUOG-INIZCTEOSA-N 1 2 328.416 0.779 20 30 ECEDLO N#C[C@H](CCc1ccccc1)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000823099550 587702311 /nfs/dbraw/zinc/70/23/11/587702311.db2.gz CPRHOOIGBCGUOG-INIZCTEOSA-N 1 2 328.416 0.779 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2ccc(-n3nnnc3C)cc2F)CC1 ZINC000823305626 587715146 /nfs/dbraw/zinc/71/51/46/587715146.db2.gz LDHYNWWKFSJSPK-UHFFFAOYSA-N 1 2 328.351 0.501 20 30 ECEDLO C=C(Br)C[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000823873125 587746858 /nfs/dbraw/zinc/74/68/58/587746858.db2.gz JBSMQFKXUGIURQ-UHFFFAOYSA-N 1 2 341.217 0.945 20 30 ECEDLO C=C(Br)C[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000823873125 587746859 /nfs/dbraw/zinc/74/68/59/587746859.db2.gz JBSMQFKXUGIURQ-UHFFFAOYSA-N 1 2 341.217 0.945 20 30 ECEDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@](O)(CC#N)C1)cc2=O ZINC000829987469 588352447 /nfs/dbraw/zinc/35/24/47/588352447.db2.gz DZQZWYIZDKSXCB-MRXNPFEDSA-N 1 2 345.359 0.462 20 30 ECEDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@](O)(CC#N)C1)cc2=O ZINC000829987469 588352449 /nfs/dbraw/zinc/35/24/49/588352449.db2.gz DZQZWYIZDKSXCB-MRXNPFEDSA-N 1 2 345.359 0.462 20 30 ECEDLO COC(=O)Cn1cc(C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)nn1 ZINC000844372249 589109230 /nfs/dbraw/zinc/10/92/30/589109230.db2.gz XKNICCFCDGPOKT-OAHLLOKOSA-N 1 2 329.360 0.488 20 30 ECEDLO COC(=O)Cn1cc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)nn1 ZINC000844372249 589109231 /nfs/dbraw/zinc/10/92/31/589109231.db2.gz XKNICCFCDGPOKT-OAHLLOKOSA-N 1 2 329.360 0.488 20 30 ECEDLO C#C[C@@H]1CCC[N@@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)C1 ZINC000847028571 589233247 /nfs/dbraw/zinc/23/32/47/589233247.db2.gz HSGOYGYHFQPDMP-CYBMUJFWSA-N 1 2 346.431 0.313 20 30 ECEDLO C#C[C@@H]1CCC[N@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)C1 ZINC000847028571 589233248 /nfs/dbraw/zinc/23/32/48/589233248.db2.gz HSGOYGYHFQPDMP-CYBMUJFWSA-N 1 2 346.431 0.313 20 30 ECEDLO C#C[C@@H]1CCC[N@@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)C1 ZINC000847031479 589233365 /nfs/dbraw/zinc/23/33/65/589233365.db2.gz QWDLODIPXXUTMD-TXKKKEFDSA-N 1 2 346.431 0.864 20 30 ECEDLO C#C[C@@H]1CCC[N@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)C1 ZINC000847031479 589233367 /nfs/dbraw/zinc/23/33/67/589233367.db2.gz QWDLODIPXXUTMD-TXKKKEFDSA-N 1 2 346.431 0.864 20 30 ECEDLO C#C[C@H]1CCC[N@@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)C1 ZINC000847027526 589233387 /nfs/dbraw/zinc/23/33/87/589233387.db2.gz BUJFVXZHQNDUSI-LBPRGKRZSA-N 1 2 332.404 0.715 20 30 ECEDLO C#C[C@H]1CCC[N@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)C1 ZINC000847027526 589233388 /nfs/dbraw/zinc/23/33/88/589233388.db2.gz BUJFVXZHQNDUSI-LBPRGKRZSA-N 1 2 332.404 0.715 20 30 ECEDLO C#CCNC(=O)CC[NH+]1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000851942596 589433403 /nfs/dbraw/zinc/43/34/03/589433403.db2.gz LWLIRZNVZGIECQ-UHFFFAOYSA-N 1 2 347.440 0.203 20 30 ECEDLO C=CCOCCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000852087750 589442998 /nfs/dbraw/zinc/44/29/98/589442998.db2.gz SGCHZVYRCKJSMD-UHFFFAOYSA-N 1 2 347.481 0.387 20 30 ECEDLO C#CCOCCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000852251334 589452951 /nfs/dbraw/zinc/45/29/51/589452951.db2.gz NGINQAHYVDPVIA-SFHVURJKSA-N 1 2 344.459 0.752 20 30 ECEDLO C#CCOCCNC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000852251334 589452952 /nfs/dbraw/zinc/45/29/52/589452952.db2.gz NGINQAHYVDPVIA-SFHVURJKSA-N 1 2 344.459 0.752 20 30 ECEDLO C#CCN1CCN(C(=O)C[NH2+][C@@H](CO)c2ccc(F)cc2F)CC1 ZINC000852711190 589507130 /nfs/dbraw/zinc/50/71/30/589507130.db2.gz CMQCMUJCLMPNCJ-INIZCTEOSA-N 1 2 337.370 0.365 20 30 ECEDLO NC(CN1CCOCC1)=[NH+]OCC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000111181975 589538322 /nfs/dbraw/zinc/53/83/22/589538322.db2.gz HAMHMIFFXCILDC-GOSISDBHSA-N 1 2 346.431 0.875 20 30 ECEDLO NC(CN1CCOCC1)=[NH+]OCC(=O)NCCCc1ccccc1 ZINC000111181727 589538420 /nfs/dbraw/zinc/53/84/20/589538420.db2.gz LPLLKCUEUFNEEO-UHFFFAOYSA-N 1 2 334.420 0.356 20 30 ECEDLO CC(C)(C)OC(=O)[C@]12COC[C@H]1C[N@H+](Cn1cccc(C#N)c1=O)C2 ZINC000853551600 589547602 /nfs/dbraw/zinc/54/76/02/589547602.db2.gz YNFXORAHPDQSQG-RDTXWAMCSA-N 1 2 345.399 0.968 20 30 ECEDLO CC(C)(C)OC(=O)[C@]12COC[C@H]1C[N@@H+](Cn1cccc(C#N)c1=O)C2 ZINC000853551600 589547603 /nfs/dbraw/zinc/54/76/03/589547603.db2.gz YNFXORAHPDQSQG-RDTXWAMCSA-N 1 2 345.399 0.968 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2nc(Br)nc2C)CC1 ZINC000853712497 589555962 /nfs/dbraw/zinc/55/59/62/589555962.db2.gz AZIKYCYKGROQPC-UHFFFAOYSA-N 1 2 326.198 0.126 20 30 ECEDLO C#C[C@H](NC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO)[C@@H]1CCCO1 ZINC000854002666 589567913 /nfs/dbraw/zinc/56/79/13/589567913.db2.gz CFVYTEQCHOPEMK-MELADBBJSA-N 1 2 334.420 0.960 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)c(=O)n3CC)CC1 ZINC000112920601 589617361 /nfs/dbraw/zinc/61/73/61/589617361.db2.gz CRGXOMWZJRCKPF-UHFFFAOYSA-N 1 2 340.383 0.101 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)CC1 ZINC000112920522 589617419 /nfs/dbraw/zinc/61/74/19/589617419.db2.gz GVZBXKVZINMKFE-CQSZACIVSA-N 1 2 339.399 0.102 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000856078727 589653700 /nfs/dbraw/zinc/65/37/00/589653700.db2.gz XNYGKIWOSHYHKB-VQIMIIECSA-N 1 2 346.427 0.404 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000856078727 589653702 /nfs/dbraw/zinc/65/37/02/589653702.db2.gz XNYGKIWOSHYHKB-VQIMIIECSA-N 1 2 346.427 0.404 20 30 ECEDLO O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCn2c[nH+]cc21 ZINC000857991220 589721866 /nfs/dbraw/zinc/72/18/66/589721866.db2.gz VUFNHIYRXKYPFV-NSHDSACASA-N 1 2 345.384 0.183 20 30 ECEDLO C=CC(=O)N(C)CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000858154811 589727582 /nfs/dbraw/zinc/72/75/82/589727582.db2.gz RVECIHQNMZEVSD-UHFFFAOYSA-N 1 2 326.400 0.847 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)COCc1cc[nH]c(=O)c1 ZINC000858944651 589784860 /nfs/dbraw/zinc/78/48/60/589784860.db2.gz QBHXTUNAMVEQIJ-UHFFFAOYSA-N 1 2 348.403 0.378 20 30 ECEDLO COCCN(CCC#N)S(=O)(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000867712620 589828721 /nfs/dbraw/zinc/82/87/21/589828721.db2.gz FLDNEMFMGZDFGW-ZDUSSCGKSA-N 1 2 336.433 0.117 20 30 ECEDLO COCCN(CCC#N)S(=O)(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000867712620 589828725 /nfs/dbraw/zinc/82/87/25/589828725.db2.gz FLDNEMFMGZDFGW-ZDUSSCGKSA-N 1 2 336.433 0.117 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@]2(C)C(=O)OC(C)(C)C)CC1 ZINC000859381319 589828809 /nfs/dbraw/zinc/82/88/09/589828809.db2.gz MJQOQBZSFRVYMD-IBGZPJMESA-N 1 2 349.475 0.960 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@]2(C)C(=O)OC(C)(C)C)CC1 ZINC000859381319 589828811 /nfs/dbraw/zinc/82/88/11/589828811.db2.gz MJQOQBZSFRVYMD-IBGZPJMESA-N 1 2 349.475 0.960 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCC[C@@]2(C)C(=O)OC(C)(C)C)CC1 ZINC000859381319 589828815 /nfs/dbraw/zinc/82/88/15/589828815.db2.gz MJQOQBZSFRVYMD-IBGZPJMESA-N 1 2 349.475 0.960 20 30 ECEDLO C#C[C@H](NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C)C(C)C ZINC000861513565 589858083 /nfs/dbraw/zinc/85/80/83/589858083.db2.gz JZFWCFLVBPCDPK-QEJZJMRPSA-N 1 2 332.404 0.483 20 30 ECEDLO C#C[C@@H](NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C)C(C)(C)C ZINC000861734012 589883363 /nfs/dbraw/zinc/88/33/63/589883363.db2.gz ASHINVBFEZZNSW-SNPRPXQTSA-N 1 2 346.431 0.873 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000868819587 589928915 /nfs/dbraw/zinc/92/89/15/589928915.db2.gz XAXHPNGGXFNAOR-MRXNPFEDSA-N 1 2 345.447 0.775 20 30 ECEDLO CON=Cc1ccc(C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000870076821 589998174 /nfs/dbraw/zinc/99/81/74/589998174.db2.gz YRXUIGHQQWNDIT-QGZVFWFLSA-N 1 2 347.415 0.840 20 30 ECEDLO O=C1CNC(=O)N1N=Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872361825 590115662 /nfs/dbraw/zinc/11/56/62/590115662.db2.gz RZJIWPWNLSJGGC-UHFFFAOYSA-N 1 2 332.360 0.283 20 30 ECEDLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2c(C)cccc2C#N)CC1 ZINC000872457042 590118496 /nfs/dbraw/zinc/11/84/96/590118496.db2.gz XQKVTGGKDHRALS-HNNXBMFYSA-N 1 2 337.445 0.944 20 30 ECEDLO CCO[C@@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)[C@H]1CCOC1 ZINC000865070812 590123372 /nfs/dbraw/zinc/12/33/72/590123372.db2.gz XDSFWJVSOFYFLJ-JKSUJKDBSA-N 1 2 339.436 0.502 20 30 ECEDLO C=C(C)C[C@@H]1NC(=O)N(C2CC[NH+](CCS(C)(=O)=O)CC2)C1=O ZINC000865303054 590138318 /nfs/dbraw/zinc/13/83/18/590138318.db2.gz YBFZLQHUPRKAQW-ZDUSSCGKSA-N 1 2 343.449 0.382 20 30 ECEDLO C=CCOCCCNC(=O)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000875455713 590303272 /nfs/dbraw/zinc/30/32/72/590303272.db2.gz SHZCHRAXFKYJML-INIZCTEOSA-N 1 2 331.416 0.998 20 30 ECEDLO C=CCOCCCNC(=O)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000875455713 590303274 /nfs/dbraw/zinc/30/32/74/590303274.db2.gz SHZCHRAXFKYJML-INIZCTEOSA-N 1 2 331.416 0.998 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879689199 590333271 /nfs/dbraw/zinc/33/32/71/590333271.db2.gz LNWSCROQWNZAFW-AWEZNQCLSA-N 1 2 329.404 0.878 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879689199 590333274 /nfs/dbraw/zinc/33/32/74/590333274.db2.gz LNWSCROQWNZAFW-AWEZNQCLSA-N 1 2 329.404 0.878 20 30 ECEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]3OCCNC(=O)[C@H]32)cc1 ZINC000879716570 590336917 /nfs/dbraw/zinc/33/69/17/590336917.db2.gz OGWDZUAKKMJKJA-OIISXLGYSA-N 1 2 345.399 0.277 20 30 ECEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]3OCCNC(=O)[C@H]32)cc1 ZINC000879716570 590336918 /nfs/dbraw/zinc/33/69/18/590336918.db2.gz OGWDZUAKKMJKJA-OIISXLGYSA-N 1 2 345.399 0.277 20 30 ECEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)c1 ZINC000879929634 590351148 /nfs/dbraw/zinc/35/11/48/590351148.db2.gz JRBRITHKMMNCHD-HZPDHXFCSA-N 1 2 347.440 0.541 20 30 ECEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)c1 ZINC000879929634 590351150 /nfs/dbraw/zinc/35/11/50/590351150.db2.gz JRBRITHKMMNCHD-HZPDHXFCSA-N 1 2 347.440 0.541 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879932764 590352035 /nfs/dbraw/zinc/35/20/35/590352035.db2.gz MOUXEFGORQRTOU-HZSPNIEDSA-N 1 2 327.450 0.361 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879932764 590352037 /nfs/dbraw/zinc/35/20/37/590352037.db2.gz MOUXEFGORQRTOU-HZSPNIEDSA-N 1 2 327.450 0.361 20 30 ECEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)CCS(N)(=O)=O ZINC000880083695 590367787 /nfs/dbraw/zinc/36/77/87/590367787.db2.gz GTAGWWAOYSLPNX-LBPRGKRZSA-N 1 2 345.490 0.872 20 30 ECEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)CCS(N)(=O)=O ZINC000880083695 590367789 /nfs/dbraw/zinc/36/77/89/590367789.db2.gz GTAGWWAOYSLPNX-LBPRGKRZSA-N 1 2 345.490 0.872 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc3c(c2)CCC(=O)N3)CC1 ZINC000128235837 590371222 /nfs/dbraw/zinc/37/12/22/590371222.db2.gz PJKURMDIONTOGQ-UHFFFAOYSA-N 1 2 327.384 0.728 20 30 ECEDLO C#CCC1(O)CC[NH+](Cc2nc(-c3ccc(OC)nn3)no2)CC1 ZINC000880484171 590396046 /nfs/dbraw/zinc/39/60/46/590396046.db2.gz ROWJZMOOCRKDCI-UHFFFAOYSA-N 1 2 329.360 0.885 20 30 ECEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000878274977 590512054 /nfs/dbraw/zinc/51/20/54/590512054.db2.gz XXCBSJWQVUBLJG-OLZOCXBDSA-N 1 2 330.392 0.753 20 30 ECEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000878274977 590512057 /nfs/dbraw/zinc/51/20/57/590512057.db2.gz XXCBSJWQVUBLJG-OLZOCXBDSA-N 1 2 330.392 0.753 20 30 ECEDLO C#CC[C@H](NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2)C(=O)OC ZINC000882252448 590532396 /nfs/dbraw/zinc/53/23/96/590532396.db2.gz PXZPGUAEHINKMT-AWEZNQCLSA-N 1 2 336.413 0.518 20 30 ECEDLO C#CC[C@H](NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2)C(=O)OC ZINC000882252448 590532397 /nfs/dbraw/zinc/53/23/97/590532397.db2.gz PXZPGUAEHINKMT-AWEZNQCLSA-N 1 2 336.413 0.518 20 30 ECEDLO CO[C@@H]1C[C@@H]2C[N@H+](CC(=O)NCCC#N)Cc3cccnc3N2C1 ZINC000879272219 590575786 /nfs/dbraw/zinc/57/57/86/590575786.db2.gz NZIFDMRISYELHZ-HUUCEWRRSA-N 1 2 329.404 0.521 20 30 ECEDLO CO[C@@H]1C[C@@H]2C[N@@H+](CC(=O)NCCC#N)Cc3cccnc3N2C1 ZINC000879272219 590575787 /nfs/dbraw/zinc/57/57/87/590575787.db2.gz NZIFDMRISYELHZ-HUUCEWRRSA-N 1 2 329.404 0.521 20 30 ECEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000131103089 590607464 /nfs/dbraw/zinc/60/74/64/590607464.db2.gz RDBDIZFWIOHNMU-CQSZACIVSA-N 1 2 326.360 0.269 20 30 ECEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000131103089 590607465 /nfs/dbraw/zinc/60/74/65/590607465.db2.gz RDBDIZFWIOHNMU-CQSZACIVSA-N 1 2 326.360 0.269 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc3occc3[nH]2)CC1 ZINC000131898377 590619832 /nfs/dbraw/zinc/61/98/32/590619832.db2.gz MZOFSCXGKJIOGT-UHFFFAOYSA-N 1 2 328.372 0.658 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc3occc3[nH]2)CC1 ZINC000131898377 590619834 /nfs/dbraw/zinc/61/98/34/590619834.db2.gz MZOFSCXGKJIOGT-UHFFFAOYSA-N 1 2 328.372 0.658 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(CCC#N)cc1 ZINC000885227281 590697393 /nfs/dbraw/zinc/69/73/93/590697393.db2.gz IBKQZQUWFBPUAQ-CQSZACIVSA-N 1 2 337.445 0.830 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(CCC#N)cc1 ZINC000885227281 590697396 /nfs/dbraw/zinc/69/73/96/590697396.db2.gz IBKQZQUWFBPUAQ-CQSZACIVSA-N 1 2 337.445 0.830 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000885511233 590728741 /nfs/dbraw/zinc/72/87/41/590728741.db2.gz DANAAFCDSPYAML-CYBMUJFWSA-N 1 2 346.416 0.038 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000885511233 590728746 /nfs/dbraw/zinc/72/87/46/590728746.db2.gz DANAAFCDSPYAML-CYBMUJFWSA-N 1 2 346.416 0.038 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1C(=O)N(CC)CC ZINC000884106228 590742323 /nfs/dbraw/zinc/74/23/23/590742323.db2.gz KWMYJNXUPRUXRA-STQMWFEESA-N 1 2 325.409 0.292 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000884176977 590762830 /nfs/dbraw/zinc/76/28/30/590762830.db2.gz WKRVFRKEJVYVHS-INIZCTEOSA-N 1 2 347.415 0.790 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)C2(S(C)(=O)=O)CC2)C1 ZINC000884342089 590811027 /nfs/dbraw/zinc/81/10/27/590811027.db2.gz PRSVQTQVVQGTPR-OLZOCXBDSA-N 1 2 327.450 0.349 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)C2(S(C)(=O)=O)CC2)C1 ZINC000884342089 590811031 /nfs/dbraw/zinc/81/10/31/590811031.db2.gz PRSVQTQVVQGTPR-OLZOCXBDSA-N 1 2 327.450 0.349 20 30 ECEDLO COC(=O)[C@H]1CSCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000887079346 590939222 /nfs/dbraw/zinc/93/92/22/590939222.db2.gz PDQBAKGXECBCNQ-QWHCGFSZSA-N 1 2 328.434 0.648 20 30 ECEDLO COC(=O)[C@H]1CSCC[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000887079346 590939224 /nfs/dbraw/zinc/93/92/24/590939224.db2.gz PDQBAKGXECBCNQ-QWHCGFSZSA-N 1 2 328.434 0.648 20 30 ECEDLO C=CCC1(O)CC[NH+]([C@@H]2CC(=O)N(c3cnn(CC)c3)C2=O)CC1 ZINC000887306367 590959881 /nfs/dbraw/zinc/95/98/81/590959881.db2.gz QLYIBCGWXZCBDV-CQSZACIVSA-N 1 2 332.404 0.938 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)C1 ZINC000889319289 590974845 /nfs/dbraw/zinc/97/48/45/590974845.db2.gz XXWQDBDCRQLDJL-OLZOCXBDSA-N 1 2 332.408 0.553 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)C1 ZINC000889319289 590974852 /nfs/dbraw/zinc/97/48/52/590974852.db2.gz XXWQDBDCRQLDJL-OLZOCXBDSA-N 1 2 332.408 0.553 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2n[nH]c([C@@H]3CCCO3)n2)C1 ZINC000889319289 590974856 /nfs/dbraw/zinc/97/48/56/590974856.db2.gz XXWQDBDCRQLDJL-OLZOCXBDSA-N 1 2 332.408 0.553 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2n[nH]c([C@@H]3CCCO3)n2)C1 ZINC000889319289 590974861 /nfs/dbraw/zinc/97/48/61/590974861.db2.gz XXWQDBDCRQLDJL-OLZOCXBDSA-N 1 2 332.408 0.553 20 30 ECEDLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(CC#N)n2)CC1 ZINC000889988989 591116208 /nfs/dbraw/zinc/11/62/08/591116208.db2.gz NOHJGAKUSOLIPC-UHFFFAOYSA-N 1 2 345.403 0.267 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3COC(=O)C3)CC2)cc1 ZINC000923728375 611376944 /nfs/dbraw/zinc/37/69/44/611376944.db2.gz XXNSQQARFRQUBO-HNNXBMFYSA-N 1 2 328.372 0.701 20 30 ECEDLO C#Cc1ccc(NC(=O)CCN2CC[NH+](CC[S@](C)=O)CC2)cc1 ZINC000929993275 611377649 /nfs/dbraw/zinc/37/76/49/611377649.db2.gz ILOVGLNJLYMWHD-DEOSSOPVSA-N 1 2 347.484 0.993 20 30 ECEDLO C#C[C@H]1CCC[N@@H+](CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)C1 ZINC000930884272 611480008 /nfs/dbraw/zinc/48/00/08/611480008.db2.gz BPJPJEXHFXRRST-LBPRGKRZSA-N 1 2 333.354 0.811 20 30 ECEDLO C#C[C@H]1CCC[N@H+](CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)C1 ZINC000930884272 611480010 /nfs/dbraw/zinc/48/00/10/611480010.db2.gz BPJPJEXHFXRRST-LBPRGKRZSA-N 1 2 333.354 0.811 20 30 ECEDLO CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000937353915 608611142 /nfs/dbraw/zinc/61/11/42/608611142.db2.gz VYMRVUGTOOCUPV-CVEARBPZSA-N 1 2 340.427 0.918 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cnn(CCF)c3)CC2)C1 ZINC000949401762 608668912 /nfs/dbraw/zinc/66/89/12/608668912.db2.gz LPYRUWGPEGFQMH-UHFFFAOYSA-N 1 2 334.395 0.793 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cnn(CCF)c3)CC2)C1 ZINC000949401762 608668914 /nfs/dbraw/zinc/66/89/14/608668914.db2.gz LPYRUWGPEGFQMH-UHFFFAOYSA-N 1 2 334.395 0.793 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C(=O)N3CCC[C@@H]3CC)CC2)C1 ZINC000949509684 608721883 /nfs/dbraw/zinc/72/18/83/608721883.db2.gz WZJSXIRGQZSJFT-INIZCTEOSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C(=O)N3CCC[C@@H]3CC)CC2)C1 ZINC000949509684 608721886 /nfs/dbraw/zinc/72/18/86/608721886.db2.gz WZJSXIRGQZSJFT-INIZCTEOSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CCOCCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000161601211 608867304 /nfs/dbraw/zinc/86/73/04/608867304.db2.gz CXYKNIAISIESFO-UHFFFAOYSA-N 1 2 328.376 0.052 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000937057657 608938743 /nfs/dbraw/zinc/93/87/43/608938743.db2.gz AKNMMYYTNSMEDN-ZDUSSCGKSA-N 1 2 340.387 0.834 20 30 ECEDLO O=C(C[NH+]1CCC(NC(=O)NCC#CCO)CC1)Nc1ccccc1 ZINC000923787847 608968611 /nfs/dbraw/zinc/96/86/11/608968611.db2.gz WOQRQLQSVQXPLN-UHFFFAOYSA-N 1 2 344.415 0.384 20 30 ECEDLO Cc1cc(N2CCN(C(=O)NCC#CCO)CC2)nc(C(C)C)[nH+]1 ZINC000923789016 609005502 /nfs/dbraw/zinc/00/55/02/609005502.db2.gz SGZZDGZQNVCJKC-UHFFFAOYSA-N 1 2 331.420 0.736 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000937795766 609089064 /nfs/dbraw/zinc/08/90/64/609089064.db2.gz GMLGBRBYQMEKOW-ZDUSSCGKSA-N 1 2 340.387 0.583 20 30 ECEDLO CN1CCN(S(=O)(=O)c2cccc(CC#N)c2)CC[N@H+](C)CC1 ZINC000907787399 609622012 /nfs/dbraw/zinc/62/20/12/609622012.db2.gz BLEPWNNIPVKTJT-UHFFFAOYSA-N 1 2 336.461 0.621 20 30 ECEDLO CN1CCN(S(=O)(=O)c2cccc(CC#N)c2)CC[N@@H+](C)CC1 ZINC000907787399 609622013 /nfs/dbraw/zinc/62/20/13/609622013.db2.gz BLEPWNNIPVKTJT-UHFFFAOYSA-N 1 2 336.461 0.621 20 30 ECEDLO Cc1ccc(S(=O)(=O)N2CCN(C)CC[N@@H+](C)CC2)c(C#N)c1 ZINC000907790621 609622829 /nfs/dbraw/zinc/62/28/29/609622829.db2.gz PRXFLOZJDPFGSV-UHFFFAOYSA-N 1 2 336.461 0.735 20 30 ECEDLO Cc1ccc(S(=O)(=O)N2CCN(C)CC[N@H+](C)CC2)c(C#N)c1 ZINC000907790621 609622832 /nfs/dbraw/zinc/62/28/32/609622832.db2.gz PRXFLOZJDPFGSV-UHFFFAOYSA-N 1 2 336.461 0.735 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)s1 ZINC000908015002 609637517 /nfs/dbraw/zinc/63/75/17/609637517.db2.gz MKJVPQJERWFLAH-OLZOCXBDSA-N 1 2 341.458 0.839 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)s1 ZINC000908015002 609637519 /nfs/dbraw/zinc/63/75/19/609637519.db2.gz MKJVPQJERWFLAH-OLZOCXBDSA-N 1 2 341.458 0.839 20 30 ECEDLO Cn1cc([C@@H]2CN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC[NH2+]2)cn1 ZINC000913464659 609676719 /nfs/dbraw/zinc/67/67/19/609676719.db2.gz WLLGGTSTHGLNSQ-JKSUJKDBSA-N 1 2 325.372 0.498 20 30 ECEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cc(C)c(C(=O)OC)o2)CC1 ZINC000921437412 609716780 /nfs/dbraw/zinc/71/67/80/609716780.db2.gz WXPNPJYHSXUFRR-UHFFFAOYSA-N 1 2 340.401 0.751 20 30 ECEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@@H]1C ZINC000947824280 611708618 /nfs/dbraw/zinc/70/86/18/611708618.db2.gz GPCBYSTZANRKHF-STQMWFEESA-N 1 2 342.403 0.064 20 30 ECEDLO CC#CC[N@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@@H]1C ZINC000947824280 611708620 /nfs/dbraw/zinc/70/86/20/611708620.db2.gz GPCBYSTZANRKHF-STQMWFEESA-N 1 2 342.403 0.064 20 30 ECEDLO C#CC[NH+]1CCC(NC(=O)NCCS(=O)(=O)c2ccccc2)CC1 ZINC000914383401 609882674 /nfs/dbraw/zinc/88/26/74/609882674.db2.gz SPHVZXXRHQTQBL-UHFFFAOYSA-N 1 2 349.456 0.857 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000938631882 609909182 /nfs/dbraw/zinc/90/91/82/609909182.db2.gz YZMBXTZWYIUVDZ-OLZOCXBDSA-N 1 2 338.371 0.758 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000938941403 610053288 /nfs/dbraw/zinc/05/32/88/610053288.db2.gz XVIWGOIZCMOBFX-AWEZNQCLSA-N 1 2 340.387 0.846 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000939764035 610120934 /nfs/dbraw/zinc/12/09/34/610120934.db2.gz ADNXLWKSKPPILS-KFWWJZLASA-N 1 2 332.404 0.534 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3csnn3)C2)nn1 ZINC000939277528 610146616 /nfs/dbraw/zinc/14/66/16/610146616.db2.gz QPQTUOSRDMNFKY-CMPLNLGQSA-N 1 2 333.421 0.566 20 30 ECEDLO CC(C)CNC(=O)CON=C(N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181836299 610176767 /nfs/dbraw/zinc/17/67/67/610176767.db2.gz YQZDQUULEPMAAB-INIZCTEOSA-N 1 2 348.447 0.948 20 30 ECEDLO CC(C)CNC(=O)CON=C(N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181836299 610176769 /nfs/dbraw/zinc/17/67/69/610176769.db2.gz YQZDQUULEPMAAB-INIZCTEOSA-N 1 2 348.447 0.948 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)c[nH]1 ZINC000940098656 610207994 /nfs/dbraw/zinc/20/79/94/610207994.db2.gz DYPUZFOAVOKUFZ-GFCCVEGCSA-N 1 2 326.360 0.573 20 30 ECEDLO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000939525486 610227391 /nfs/dbraw/zinc/22/73/91/610227391.db2.gz XXBHKCQNULSVAG-ZWNOBZJWSA-N 1 2 326.360 0.429 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4ncncc4C3)CC2)C1 ZINC000941433117 610313300 /nfs/dbraw/zinc/31/33/00/610313300.db2.gz NKVWLZWKDRKMTF-OAHLLOKOSA-N 1 2 339.443 0.043 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccsc3COC)CC2)C1 ZINC000941457430 610319292 /nfs/dbraw/zinc/31/92/92/610319292.db2.gz YGULINQBTNUWLA-UHFFFAOYSA-N 1 2 333.457 0.970 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3csc(NC(C)=O)n3)CC2)C1 ZINC000941471516 610329942 /nfs/dbraw/zinc/32/99/42/610329942.db2.gz CHMCUPCLFVMKLH-UHFFFAOYSA-N 1 2 347.444 0.177 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(C(F)F)nn3C)CC2)C1 ZINC000941484871 610337523 /nfs/dbraw/zinc/33/75/23/610337523.db2.gz JZRORHPGUKRVDD-UHFFFAOYSA-N 1 2 337.374 0.433 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCCN(C(=O)Cn3cc[nH+]c3)CC2)c1 ZINC000941504401 610346954 /nfs/dbraw/zinc/34/69/54/610346954.db2.gz LHQIXWKGEXKNDJ-UHFFFAOYSA-N 1 2 337.383 0.634 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCCN(C(=O)Cc3[nH]cc[nH+]3)CC2)[nH]1 ZINC000940785924 610361374 /nfs/dbraw/zinc/36/13/74/610361374.db2.gz JSMBTEYWWHTDQX-UHFFFAOYSA-N 1 2 326.360 0.527 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C3(c4cccnc4)CC3)CC2)C1 ZINC000941532192 610363918 /nfs/dbraw/zinc/36/39/18/610363918.db2.gz RKANLSDADYRJRI-UHFFFAOYSA-N 1 2 338.455 0.965 20 30 ECEDLO N#Cc1cc(C(=O)N2CCCN(C(=O)CCc3c[nH]c[nH+]3)CC2)c[nH]1 ZINC000940809138 610373306 /nfs/dbraw/zinc/37/33/06/610373306.db2.gz JKPGVHPLUKOWBT-UHFFFAOYSA-N 1 2 340.387 0.917 20 30 ECEDLO N#Cc1cc(C(=O)N2CCCN(C(=O)CCc3c[nH+]c[nH]3)CC2)c[nH]1 ZINC000940809138 610373309 /nfs/dbraw/zinc/37/33/09/610373309.db2.gz JKPGVHPLUKOWBT-UHFFFAOYSA-N 1 2 340.387 0.917 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)Oc3cccnc3)CC2)C1 ZINC000941559707 610382362 /nfs/dbraw/zinc/38/23/62/610382362.db2.gz KMLUKAPDOHPNCW-OAHLLOKOSA-N 1 2 328.416 0.311 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3nc(C)ncc3Cl)CC2)C1 ZINC000941593525 610389174 /nfs/dbraw/zinc/38/91/74/610389174.db2.gz QUDZWIWMBJTVPS-UHFFFAOYSA-N 1 2 333.823 0.514 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3nn(C)c4c3CCCC4)CC2)C1 ZINC000941578958 610391836 /nfs/dbraw/zinc/39/18/36/610391836.db2.gz XZCKOZNFGFRDBY-UHFFFAOYSA-N 1 2 341.459 0.374 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3cccc(F)c3F)CC2)C1 ZINC000941586458 610396561 /nfs/dbraw/zinc/39/65/61/610396561.db2.gz WRJAGFCNCUDLAT-UHFFFAOYSA-N 1 2 333.382 0.969 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3nn(C)c(C)c3Cl)CC2)C1 ZINC000941587521 610397650 /nfs/dbraw/zinc/39/76/50/610397650.db2.gz SDLJKKYGQJQUHP-UHFFFAOYSA-N 1 2 349.866 0.847 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc4c(c3)COC4)CC2)C1 ZINC000941601562 610402091 /nfs/dbraw/zinc/40/20/91/610402091.db2.gz RYJSTEDJTJFBAG-UHFFFAOYSA-N 1 2 325.412 0.792 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc4nncn4c3)CC2)C1 ZINC000941605485 610404412 /nfs/dbraw/zinc/40/44/12/610404412.db2.gz KITNIGWELJHJEM-UHFFFAOYSA-N 1 2 338.415 0.195 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3csc(COC)n3)CC2)C1 ZINC000941629955 610417259 /nfs/dbraw/zinc/41/72/59/610417259.db2.gz CLYXGGXHYXYJAI-UHFFFAOYSA-N 1 2 348.472 0.294 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCN(C(=O)CC)C3)CC2)C1 ZINC000941632525 610418578 /nfs/dbraw/zinc/41/85/78/610418578.db2.gz IZMWTXOXQFJNOD-MRXNPFEDSA-N 1 2 346.475 0.097 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3nccn4cc(C)nc34)CC2)C1 ZINC000941635620 610421413 /nfs/dbraw/zinc/42/14/13/610421413.db2.gz USQPTZFCHUDGCQ-UHFFFAOYSA-N 1 2 338.415 0.113 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)Oc3ccccn3)CC2)C1 ZINC000941640888 610422681 /nfs/dbraw/zinc/42/26/81/610422681.db2.gz IFAJKEHEXPWRDN-MRXNPFEDSA-N 1 2 342.443 0.701 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c(OC)cc[nH]c3=O)CC2)C1 ZINC000941641188 610435389 /nfs/dbraw/zinc/43/53/89/610435389.db2.gz YMNADUZQHSICDL-UHFFFAOYSA-N 1 2 344.415 0.261 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](C(C)C)N3CCCC3=O)CC2)C1 ZINC000941685196 610463210 /nfs/dbraw/zinc/46/32/10/610463210.db2.gz XFRVQEHNLDTSFR-SFHVURJKSA-N 1 2 346.475 0.095 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CC=CC2)C[C@H]1OC ZINC000942513642 610492931 /nfs/dbraw/zinc/49/29/31/610492931.db2.gz VWBMYMIQYXSRIM-IXDOHACOSA-N 1 2 345.443 0.392 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CC=CC2)C[C@H]1OC ZINC000942513642 610492932 /nfs/dbraw/zinc/49/29/32/610492932.db2.gz VWBMYMIQYXSRIM-IXDOHACOSA-N 1 2 345.443 0.392 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnn(C)n3)C[C@H]2C)c1 ZINC000942616333 610538839 /nfs/dbraw/zinc/53/88/39/610538839.db2.gz KTKQMAPJTYBMKF-CXAGYDPISA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3cnn(C)n3)C[C@H]2C)c1 ZINC000942616333 610538842 /nfs/dbraw/zinc/53/88/42/610538842.db2.gz KTKQMAPJTYBMKF-CXAGYDPISA-N 1 2 338.415 0.832 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000941930057 610567467 /nfs/dbraw/zinc/56/74/67/610567467.db2.gz GDCHPPJWWDFIGE-GFCCVEGCSA-N 1 2 326.360 0.491 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000941389904 610703578 /nfs/dbraw/zinc/70/35/78/610703578.db2.gz UDSOBMXFFVKXTG-CVEARBPZSA-N 1 2 346.431 0.994 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000941389904 610703580 /nfs/dbraw/zinc/70/35/80/610703580.db2.gz UDSOBMXFFVKXTG-CVEARBPZSA-N 1 2 346.431 0.994 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000942984739 610711089 /nfs/dbraw/zinc/71/10/89/610711089.db2.gz DOBDGQLAZZNYSL-XHSDSOJGSA-N 1 2 346.431 0.993 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCc3cc(OC)no3)CC2)C1 ZINC000941424577 610724584 /nfs/dbraw/zinc/72/45/84/610724584.db2.gz QVURLRCUWWKKFO-UHFFFAOYSA-N 1 2 332.404 0.077 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCCCN(C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC000943166604 610738184 /nfs/dbraw/zinc/73/81/84/610738184.db2.gz RTJVQKSJIRGSIV-CYBMUJFWSA-N 1 2 340.387 0.963 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ncnn3C)C[C@@H]2C)nc1 ZINC000944191723 610775445 /nfs/dbraw/zinc/77/54/45/610775445.db2.gz FBTMPJOGTSZQGH-ZFWWWQNUSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ncnn3C)C[C@@H]2C)nc1 ZINC000944191723 610775447 /nfs/dbraw/zinc/77/54/47/610775447.db2.gz FBTMPJOGTSZQGH-ZFWWWQNUSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnn(C)n3)C[C@@H]2C)cn1 ZINC000944216257 610787766 /nfs/dbraw/zinc/78/77/66/610787766.db2.gz YBPUSMAZALAWMX-SUMWQHHRSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cnn(C)n3)C[C@@H]2C)cn1 ZINC000944216257 610787767 /nfs/dbraw/zinc/78/77/67/610787767.db2.gz YBPUSMAZALAWMX-SUMWQHHRSA-N 1 2 338.415 0.832 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnn(C)n3)C[C@H]2C)nn1 ZINC000943482171 610868805 /nfs/dbraw/zinc/86/88/05/610868805.db2.gz OENSXJXBHPIYTC-TZMCWYRMSA-N 1 2 344.423 0.233 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cnn(C)n3)C[C@H]2C)nn1 ZINC000943482171 610868806 /nfs/dbraw/zinc/86/88/06/610868806.db2.gz OENSXJXBHPIYTC-TZMCWYRMSA-N 1 2 344.423 0.233 20 30 ECEDLO C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H](C)C1 ZINC000943688994 610947490 /nfs/dbraw/zinc/94/74/90/610947490.db2.gz HFRFVRTVSOYLMD-OCCSQVGLSA-N 1 2 344.419 0.474 20 30 ECEDLO C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H](C)C1 ZINC000943688994 610947492 /nfs/dbraw/zinc/94/74/92/610947492.db2.gz HFRFVRTVSOYLMD-OCCSQVGLSA-N 1 2 344.419 0.474 20 30 ECEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H](C)C1 ZINC000943690305 610948270 /nfs/dbraw/zinc/94/82/70/610948270.db2.gz RLAUWNCGTJUYFO-WCQYABFASA-N 1 2 330.392 0.084 20 30 ECEDLO C=CC[N@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H](C)C1 ZINC000943690305 610948273 /nfs/dbraw/zinc/94/82/73/610948273.db2.gz RLAUWNCGTJUYFO-WCQYABFASA-N 1 2 330.392 0.084 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2ccn[nH]2)CC1 ZINC000944563833 610972637 /nfs/dbraw/zinc/97/26/37/610972637.db2.gz NIBJMQNNBULQES-HNNXBMFYSA-N 1 2 329.404 0.228 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)c2ccn[nH]2)CC1 ZINC000944563833 610972638 /nfs/dbraw/zinc/97/26/38/610972638.db2.gz NIBJMQNNBULQES-HNNXBMFYSA-N 1 2 329.404 0.228 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCS(C)(=O)=O)[C@@H](C)C2)nc1 ZINC000947948185 611752311 /nfs/dbraw/zinc/75/23/11/611752311.db2.gz MMNHSABQTNWBCV-DZGCQCFKSA-N 1 2 349.456 0.690 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCS(C)(=O)=O)[C@@H](C)C2)nc1 ZINC000947948185 611752312 /nfs/dbraw/zinc/75/23/12/611752312.db2.gz MMNHSABQTNWBCV-DZGCQCFKSA-N 1 2 349.456 0.690 20 30 ECEDLO CCN(C(=O)c1ccc(C#N)[nH]1)C1C[NH+](CCn2nc(C)nc2C)C1 ZINC000949913059 611812037 /nfs/dbraw/zinc/81/20/37/611812037.db2.gz OENKVNWJJOGVRA-UHFFFAOYSA-N 1 2 341.419 0.941 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCOC2(CC[NH+]([C@@H](C)c3nncn3C)CC2)C1 ZINC000949053862 611830829 /nfs/dbraw/zinc/83/08/29/611830829.db2.gz MVZBFOHDODXVDS-KGLIPLIRSA-N 1 2 346.435 0.729 20 30 ECEDLO O=C(C#CC1CC1)N1CCC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000950763822 611895706 /nfs/dbraw/zinc/89/57/06/611895706.db2.gz BTZANROMHJYHAD-HOTGVXAUSA-N 1 2 340.427 0.966 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CC1)C[N@H+](Cc1cnn(C)c1)CCO2 ZINC000949320109 611937917 /nfs/dbraw/zinc/93/79/17/611937917.db2.gz FVJFBXDWSINCOI-CQSZACIVSA-N 1 2 331.420 0.773 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CC1)C[N@@H+](Cc1cnn(C)c1)CCO2 ZINC000949320109 611937918 /nfs/dbraw/zinc/93/79/18/611937918.db2.gz FVJFBXDWSINCOI-CQSZACIVSA-N 1 2 331.420 0.773 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000949387028 611960640 /nfs/dbraw/zinc/96/06/40/611960640.db2.gz FTTHJGVSCGZDLF-UKRRQHHQSA-N 1 2 343.431 0.960 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)Cc3cn(CC)nn3)CC2)C1 ZINC000949423722 611973719 /nfs/dbraw/zinc/97/37/19/611973719.db2.gz MFOSDBKTAHOPAQ-UHFFFAOYSA-N 1 2 331.420 0.167 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)Cc3cn(CC)nn3)CC2)C1 ZINC000949423722 611973721 /nfs/dbraw/zinc/97/37/21/611973721.db2.gz MFOSDBKTAHOPAQ-UHFFFAOYSA-N 1 2 331.420 0.167 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](OC)[C@@H]3CCOC3)CC2)C1 ZINC000949427547 611975517 /nfs/dbraw/zinc/97/55/17/611975517.db2.gz PBGVYVUYJNECHR-HZPDHXFCSA-N 1 2 336.432 0.365 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H](OC)[C@@H]3CCOC3)CC2)C1 ZINC000949427547 611975519 /nfs/dbraw/zinc/97/55/19/611975519.db2.gz PBGVYVUYJNECHR-HZPDHXFCSA-N 1 2 336.432 0.365 20 30 ECEDLO 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/nfs/dbraw/zinc/27/05/88/736270588.db2.gz TZDUDYDBRLIUJT-QGZVFWFLSA-N 1 2 342.403 0.466 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)c3cnn(C)c3)C2)C1 ZINC000972468803 736274236 /nfs/dbraw/zinc/27/42/36/736274236.db2.gz DXEKFAYPJDEFPZ-YJBOKZPZSA-N 1 2 330.432 0.850 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)c3cnn(C)c3)C2)C1 ZINC000972468803 736274239 /nfs/dbraw/zinc/27/42/39/736274239.db2.gz DXEKFAYPJDEFPZ-YJBOKZPZSA-N 1 2 330.432 0.850 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 ZINC000972492273 736378356 /nfs/dbraw/zinc/37/83/56/736378356.db2.gz KDZSWUGNSMLASA-SFHVURJKSA-N 1 2 339.399 0.670 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 ZINC000972492273 736378358 /nfs/dbraw/zinc/37/83/58/736378358.db2.gz KDZSWUGNSMLASA-SFHVURJKSA-N 1 2 339.399 0.670 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 ZINC000972492706 736380034 /nfs/dbraw/zinc/38/00/34/736380034.db2.gz PRGBDLJPIRPULQ-KRWDZBQOSA-N 1 2 327.388 0.832 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 ZINC000972492706 736380038 /nfs/dbraw/zinc/38/00/38/736380038.db2.gz PRGBDLJPIRPULQ-KRWDZBQOSA-N 1 2 327.388 0.832 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC000972517006 736527817 /nfs/dbraw/zinc/52/78/17/736527817.db2.gz CDGUEAYBXADWJK-HKUYNNGSSA-N 1 2 349.475 0.422 20 30 ECEDLO C#CCCN1CCO[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC000972517006 736527819 /nfs/dbraw/zinc/52/78/19/736527819.db2.gz CDGUEAYBXADWJK-HKUYNNGSSA-N 1 2 349.475 0.422 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3ncccc3OC)C2)C1 ZINC000972518155 736533652 /nfs/dbraw/zinc/53/36/52/736533652.db2.gz JUHKLFJWUPFSNW-IBGZPJMESA-N 1 2 343.427 0.959 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3ncccc3OC)C2)C1 ZINC000972518155 736533656 /nfs/dbraw/zinc/53/36/56/736533656.db2.gz JUHKLFJWUPFSNW-IBGZPJMESA-N 1 2 343.427 0.959 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@]3(C2)C[N@H+](CCn2cncn2)CCO3)C1 ZINC000972541971 736646424 /nfs/dbraw/zinc/64/64/24/736646424.db2.gz CZUVDASMCVBMRH-SFHVURJKSA-N 1 2 345.447 0.938 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@@]3(C2)C[N@@H+](CCn2cncn2)CCO3)C1 ZINC000972541971 736646425 /nfs/dbraw/zinc/64/64/25/736646425.db2.gz CZUVDASMCVBMRH-SFHVURJKSA-N 1 2 345.447 0.938 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c(=O)cc3OC)C2)C1 ZINC000972555858 736744430 /nfs/dbraw/zinc/74/44/30/736744430.db2.gz AARFEQGLKUUNCD-GOSISDBHSA-N 1 2 345.399 0.736 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c(=O)cc3OC)C2)C1 ZINC000972555858 736744432 /nfs/dbraw/zinc/74/44/32/736744432.db2.gz AARFEQGLKUUNCD-GOSISDBHSA-N 1 2 345.399 0.736 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc(C4CC4)[nH]c3=O)C2)C1 ZINC000972581589 736936416 /nfs/dbraw/zinc/93/64/16/736936416.db2.gz BGBGDQPAASKPIK-GOSISDBHSA-N 1 2 342.399 0.610 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc(C4CC4)[nH]c3=O)C2)C1 ZINC000972581589 736936419 /nfs/dbraw/zinc/93/64/19/736936419.db2.gz BGBGDQPAASKPIK-GOSISDBHSA-N 1 2 342.399 0.610 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn4c3C[C@@H](C)CC4)[C@H]2C1 ZINC001083261926 736996853 /nfs/dbraw/zinc/99/68/53/736996853.db2.gz SSMXFJMDUKXRER-RRQGHBQHSA-N 1 2 328.416 0.624 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn4c3C[C@@H](C)CC4)[C@H]2C1 ZINC001083261926 736996857 /nfs/dbraw/zinc/99/68/57/736996857.db2.gz SSMXFJMDUKXRER-RRQGHBQHSA-N 1 2 328.416 0.624 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2ncnn2C)C1 ZINC001023599663 737058698 /nfs/dbraw/zinc/05/86/98/737058698.db2.gz QGAZYXRKEVVAMB-KFWWJZLASA-N 1 2 333.436 0.734 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2ncnn2C)C1 ZINC001023599663 737058703 /nfs/dbraw/zinc/05/87/03/737058703.db2.gz QGAZYXRKEVVAMB-KFWWJZLASA-N 1 2 333.436 0.734 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 ZINC000972609894 737092085 /nfs/dbraw/zinc/09/20/85/737092085.db2.gz WKODVIZAILLYPH-SFHVURJKSA-N 1 2 339.399 0.670 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 ZINC000972609894 737092088 /nfs/dbraw/zinc/09/20/88/737092088.db2.gz WKODVIZAILLYPH-SFHVURJKSA-N 1 2 339.399 0.670 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3cnon3)C2)nn1 ZINC001023637072 737123796 /nfs/dbraw/zinc/12/37/96/737123796.db2.gz CQKTZNMLGKVRGK-GFCCVEGCSA-N 1 2 331.380 0.489 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cnon3)C2)nn1 ZINC001023637072 737123800 /nfs/dbraw/zinc/12/38/00/737123800.db2.gz CQKTZNMLGKVRGK-GFCCVEGCSA-N 1 2 331.380 0.489 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(OC)nn3)C2)C1 ZINC000972626994 737145953 /nfs/dbraw/zinc/14/59/53/737145953.db2.gz HCIWANXQSYWRKR-QGZVFWFLSA-N 1 2 330.388 0.425 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(OC)nn3)C2)C1 ZINC000972626994 737145957 /nfs/dbraw/zinc/14/59/57/737145957.db2.gz HCIWANXQSYWRKR-QGZVFWFLSA-N 1 2 330.388 0.425 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCN(C(C)=O)C3)C2)C1 ZINC000972628112 737150206 /nfs/dbraw/zinc/15/02/06/737150206.db2.gz NZTDKJKJGLBWLP-OALUTQOASA-N 1 2 347.459 0.572 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@]3(C)CCN(C(C)=O)C3)C2)C1 ZINC000972628112 737150210 /nfs/dbraw/zinc/15/02/10/737150210.db2.gz NZTDKJKJGLBWLP-OALUTQOASA-N 1 2 347.459 0.572 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCN(C(=O)CC)C3)C2)C1 ZINC000972631068 737165753 /nfs/dbraw/zinc/16/57/53/737165753.db2.gz JSNVVFYYDOGFND-MAUKXSAKSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCN(C(=O)CC)C3)C2)C1 ZINC000972631068 737165758 /nfs/dbraw/zinc/16/57/58/737165758.db2.gz JSNVVFYYDOGFND-MAUKXSAKSA-N 1 2 333.432 0.181 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(OC)cc[nH]c3=O)C2)C1 ZINC000972641677 737210494 /nfs/dbraw/zinc/21/04/94/737210494.db2.gz WAYKMUKNDPCSIO-GOSISDBHSA-N 1 2 345.399 0.736 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(OC)cc[nH]c3=O)C2)C1 ZINC000972641677 737210499 /nfs/dbraw/zinc/21/04/99/737210499.db2.gz WAYKMUKNDPCSIO-GOSISDBHSA-N 1 2 345.399 0.736 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCCCC(=O)N3)C2)C1 ZINC000972652800 737259305 /nfs/dbraw/zinc/25/93/05/737259305.db2.gz CLWXBPBGGHCSOU-QAPCUYQASA-N 1 2 333.432 0.372 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCCCC(=O)N3)C2)C1 ZINC000972652800 737259308 /nfs/dbraw/zinc/25/93/08/737259308.db2.gz CLWXBPBGGHCSOU-QAPCUYQASA-N 1 2 333.432 0.372 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3noc4c3COCC4)C2)C1 ZINC000972683718 737372876 /nfs/dbraw/zinc/37/28/76/737372876.db2.gz OOEQVYAMHXYWSB-SFHVURJKSA-N 1 2 345.399 0.688 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3noc4c3COCC4)C2)C1 ZINC000972683718 737372878 /nfs/dbraw/zinc/37/28/78/737372878.db2.gz OOEQVYAMHXYWSB-SFHVURJKSA-N 1 2 345.399 0.688 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(C)cc(=O)[nH]c3C)C2)C1 ZINC000972685031 737376568 /nfs/dbraw/zinc/37/65/68/737376568.db2.gz KTRKWBVYWQOFNN-GOSISDBHSA-N 1 2 329.400 0.954 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(C)cc(=O)[nH]c3C)C2)C1 ZINC000972685031 737376573 /nfs/dbraw/zinc/37/65/73/737376573.db2.gz KTRKWBVYWQOFNN-GOSISDBHSA-N 1 2 329.400 0.954 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nnc(C)n4C3)C2)C1 ZINC000972687021 737379398 /nfs/dbraw/zinc/37/93/98/737379398.db2.gz FFDRMGUQUOULFT-YJBOKZPZSA-N 1 2 343.431 0.085 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nnc(C)n4C3)C2)C1 ZINC000972687021 737379401 /nfs/dbraw/zinc/37/94/01/737379401.db2.gz FFDRMGUQUOULFT-YJBOKZPZSA-N 1 2 343.431 0.085 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3cnn(C)c3)C2)C1 ZINC000972701601 737471645 /nfs/dbraw/zinc/47/16/45/737471645.db2.gz DFYWLTRLEXPEBL-QAPCUYQASA-N 1 2 330.432 0.850 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)c3cnn(C)c3)C2)C1 ZINC000972701601 737471646 /nfs/dbraw/zinc/47/16/46/737471646.db2.gz DFYWLTRLEXPEBL-QAPCUYQASA-N 1 2 330.432 0.850 20 30 ECEDLO C=C(Br)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001024656873 738203314 /nfs/dbraw/zinc/20/33/14/738203314.db2.gz RKQKTBPYSNLPDK-TUAOUCFPSA-N 1 2 344.253 0.987 20 30 ECEDLO C=C(Br)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001024656873 738203316 /nfs/dbraw/zinc/20/33/16/738203316.db2.gz RKQKTBPYSNLPDK-TUAOUCFPSA-N 1 2 344.253 0.987 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(=O)NC)nn1 ZINC001024698577 738228886 /nfs/dbraw/zinc/22/88/86/738228886.db2.gz KNCAIHOFVDQHDU-ZDUSSCGKSA-N 1 2 334.424 0.185 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=O)NC)nn1 ZINC001024698577 738228888 /nfs/dbraw/zinc/22/88/88/738228888.db2.gz KNCAIHOFVDQHDU-ZDUSSCGKSA-N 1 2 334.424 0.185 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(c3)nnn4CC)[C@H]2C1 ZINC001083272183 738288284 /nfs/dbraw/zinc/28/82/84/738288284.db2.gz YIRGTZZTYIBYSM-DLBZAZTESA-N 1 2 339.399 0.610 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4c(c3)nnn4CC)[C@H]2C1 ZINC001083272183 738288285 /nfs/dbraw/zinc/28/82/85/738288285.db2.gz YIRGTZZTYIBYSM-DLBZAZTESA-N 1 2 339.399 0.610 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000973326496 739099019 /nfs/dbraw/zinc/09/90/19/739099019.db2.gz XCFFXFNXNHPKMF-SYQHCUMBSA-N 1 2 332.404 0.697 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)[C@@H](C)CNc1[nH+]cnc2c1cnn2C ZINC001104683400 739479667 /nfs/dbraw/zinc/47/96/67/739479667.db2.gz JBXHDCHSIYTWAE-RYUDHWBXSA-N 1 2 330.392 0.660 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H](CNC(=O)c2ccc[nH]2)[C@H](O)C1 ZINC000957863905 751481718 /nfs/dbraw/zinc/48/17/18/751481718.db2.gz NWRDSCHJBDKRSS-ZYHUDNBSSA-N 1 2 328.210 0.946 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H](CNC(=O)c2ccc[nH]2)[C@H](O)C1 ZINC000957863905 751481720 /nfs/dbraw/zinc/48/17/20/751481720.db2.gz NWRDSCHJBDKRSS-ZYHUDNBSSA-N 1 2 328.210 0.946 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@]34CCOC4)C2)nn1 ZINC001105359725 751520864 /nfs/dbraw/zinc/52/08/64/751520864.db2.gz TXWPKNBIFDVRHF-RDJZCZTQSA-N 1 2 329.404 0.201 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3nncn3C)C[C@H]21 ZINC001026056808 740344124 /nfs/dbraw/zinc/34/41/24/740344124.db2.gz CRPRVVHFDXGYBT-JNWWKETESA-N 1 2 331.420 0.514 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3nncn3C)C[C@H]21 ZINC001026056808 740344131 /nfs/dbraw/zinc/34/41/31/740344131.db2.gz CRPRVVHFDXGYBT-JNWWKETESA-N 1 2 331.420 0.514 20 30 ECEDLO C[C@@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001104802397 740539850 /nfs/dbraw/zinc/53/98/50/740539850.db2.gz VADBNAZXHFSOKH-RYUDHWBXSA-N 1 2 339.403 0.872 20 30 ECEDLO C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H](C)S(C)(=O)=O)C[C@H](C)O2 ZINC001098610672 740814810 /nfs/dbraw/zinc/81/48/10/740814810.db2.gz OCUKWJDQIYUSCK-KBPBESRZSA-N 1 2 342.461 0.135 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)c1 ZINC000974327549 741328281 /nfs/dbraw/zinc/32/82/81/741328281.db2.gz ZEZWLKPKWHMWLL-GASCZTMLSA-N 1 2 337.383 0.416 20 30 ECEDLO C#CCNC(=O)CC(=O)N1CCC[C@@H](C)[C@H]1CNc1cc[nH+]c(C)n1 ZINC001105094747 741345415 /nfs/dbraw/zinc/34/54/15/741345415.db2.gz ZNOWLVHODRCADX-UKRRQHHQSA-N 1 2 343.431 0.964 20 30 ECEDLO CC(C)[C@H](CNC(=O)CCc1c[nH+]cn1C)Nc1ccnc(C#N)n1 ZINC001105210346 741473687 /nfs/dbraw/zinc/47/36/87/741473687.db2.gz MMBABGMEWBBYPT-AWEZNQCLSA-N 1 2 341.419 0.689 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3cc(C)n[nH]3)C2)nn1 ZINC001105207378 741474160 /nfs/dbraw/zinc/47/41/60/741474160.db2.gz QVTZGKWVWMLRPW-UHFFFAOYSA-N 1 2 327.392 0.049 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc[nH]c(=O)c3)C2)nn1 ZINC001105211519 741480990 /nfs/dbraw/zinc/48/09/90/741480990.db2.gz QLOKYZJHQDHAAB-UHFFFAOYSA-N 1 2 326.360 0.189 20 30 ECEDLO C=C(Cl)CNCc1cn(C2CN(C(=O)CCc3[nH]cc[nH+]3)C2)nn1 ZINC001105223764 741500974 /nfs/dbraw/zinc/50/09/74/741500974.db2.gz HZESYJLAHQPGBY-UHFFFAOYSA-N 1 2 349.826 0.859 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@@H](Nc1[nH+]cnc2c1cnn2C)C(C)C ZINC001105224278 741504926 /nfs/dbraw/zinc/50/49/26/741504926.db2.gz BZGONNJLSJBBCG-TZMCWYRMSA-N 1 2 344.419 0.954 20 30 ECEDLO C#CCCCC(=O)N1CC(n2cc(C[NH2+]Cc3cnn(C)c3)nn2)C1 ZINC001105225496 741507377 /nfs/dbraw/zinc/50/73/77/741507377.db2.gz VPRYOBPGIZCUOJ-UHFFFAOYSA-N 1 2 341.419 0.488 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3[nH]cnc3C(C)(C)C)C2)nn1 ZINC001105243815 741543459 /nfs/dbraw/zinc/54/34/59/741543459.db2.gz JCOYDJDDRKZYFC-UHFFFAOYSA-N 1 2 341.419 0.719 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)C3(C)CC3)C2)nn1 ZINC001105246954 741547575 /nfs/dbraw/zinc/54/75/75/741547575.db2.gz KAMGIOSVNMDYOY-GFCCVEGCSA-N 1 2 346.435 0.242 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)CCC(=C)C)C2)nn1 ZINC001105251985 741560533 /nfs/dbraw/zinc/56/05/33/741560533.db2.gz CLOHILZBZMTEIW-UHFFFAOYSA-N 1 2 346.435 0.410 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3ccn(C)n3)C2)nn1 ZINC001105252543 741561702 /nfs/dbraw/zinc/56/17/02/741561702.db2.gz WYIDBZYOVBGHGN-UHFFFAOYSA-N 1 2 341.419 0.141 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCO[C@H]3CC)C2)nn1 ZINC001105256690 741571762 /nfs/dbraw/zinc/57/17/62/741571762.db2.gz NPZVWWJXOOURPC-IRXDYDNUSA-N 1 2 345.447 0.980 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCO[C@@H]3C(C)C)C2)nn1 ZINC001105256825 741572144 /nfs/dbraw/zinc/57/21/44/741572144.db2.gz UQSSGHWNJJERMN-DLBZAZTESA-N 1 2 345.447 0.835 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cn3ccc(C(F)F)n3)C2)nn1 ZINC001105256427 741576503 /nfs/dbraw/zinc/57/65/03/741576503.db2.gz DAVUJCPYZGYRKJ-UHFFFAOYSA-N 1 2 349.345 0.219 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3nc(CC)c[nH]3)C2)nn1 ZINC001105262191 741588792 /nfs/dbraw/zinc/58/87/92/741588792.db2.gz MWIBOPGNMPWBRK-UHFFFAOYSA-N 1 2 341.419 0.303 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C3(COCC)CC3)C2)nn1 ZINC001105272724 741617653 /nfs/dbraw/zinc/61/76/53/741617653.db2.gz RDFLYIPBUSFGJK-UHFFFAOYSA-N 1 2 331.420 0.591 20 30 ECEDLO C=C1CCC(C(=O)N(CCO)CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001058726920 741660954 /nfs/dbraw/zinc/66/09/54/741660954.db2.gz QVVVSFCNRKOXJL-UHFFFAOYSA-N 1 2 348.447 0.957 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccc4[nH]ncc43)C2)nn1 ZINC001105296935 741673970 /nfs/dbraw/zinc/67/39/70/741673970.db2.gz CVZOWEFUEGIOGI-UHFFFAOYSA-N 1 2 335.371 0.574 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3C)C2)nn1 ZINC001105299391 741682189 /nfs/dbraw/zinc/68/21/89/741682189.db2.gz VFVZOWSMANSCPI-LALPHHSUSA-N 1 2 346.435 0.098 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC13CCOCC3)C2 ZINC001111521353 741694307 /nfs/dbraw/zinc/69/43/07/741694307.db2.gz USGICOZJVOERCG-TUVASFSCSA-N 1 2 346.431 0.164 20 30 ECEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC13CCOCC3)C2 ZINC001111521353 741694309 /nfs/dbraw/zinc/69/43/09/741694309.db2.gz USGICOZJVOERCG-TUVASFSCSA-N 1 2 346.431 0.164 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C)co3)C2)nn1 ZINC001105305680 741700588 /nfs/dbraw/zinc/70/05/88/741700588.db2.gz MCKSGAFSIYDIAD-UHFFFAOYSA-N 1 2 343.387 0.616 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CC(n2cc(C[NH2+][C@H]3CCNC3=O)nn2)C1 ZINC001105309731 741718285 /nfs/dbraw/zinc/71/82/85/741718285.db2.gz ALQXMWZINZFIEH-DOMZBBRYSA-N 1 2 346.435 0.242 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC(n2cc(C[NH2+][C@H]3CCNC3=O)nn2)C1 ZINC001105309734 741718296 /nfs/dbraw/zinc/71/82/96/741718296.db2.gz ALQXMWZINZFIEH-WFASDCNBSA-N 1 2 346.435 0.242 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccnc3OC)C2)nn1 ZINC001105319022 741765189 /nfs/dbraw/zinc/76/51/89/741765189.db2.gz XEEVQTYNEIOZOH-UHFFFAOYSA-N 1 2 340.387 0.492 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC(n3cc(C[NH2+][C@@H](C)C(=O)NC)nn3)C2)C1 ZINC001105324128 741790534 /nfs/dbraw/zinc/79/05/34/741790534.db2.gz SYWAXJTWCBQQAX-LBPRGKRZSA-N 1 2 346.435 0.242 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3conc3C3CC3)C2)nn1 ZINC001105326956 741805322 /nfs/dbraw/zinc/80/53/22/741805322.db2.gz NBANYSAEOOUYGK-UHFFFAOYSA-N 1 2 340.387 0.954 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C3(CF)CCOCC3)C2)nn1 ZINC001105327162 741813137 /nfs/dbraw/zinc/81/31/37/741813137.db2.gz UQWINTHARGOCRH-UHFFFAOYSA-N 1 2 335.383 0.151 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000974578411 741910921 /nfs/dbraw/zinc/91/09/21/741910921.db2.gz ZQUYVLTYFDUZCC-YNEHKIRRSA-N 1 2 329.404 0.906 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](CC(=O)NC2CC2)CC1 ZINC000982174234 751683334 /nfs/dbraw/zinc/68/33/34/751683334.db2.gz YLFDDLDDCHUMFC-RDJZCZTQSA-N 1 2 335.448 0.781 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](CC(=O)NC2CC2)CC1 ZINC000982174234 751683337 /nfs/dbraw/zinc/68/33/37/751683337.db2.gz YLFDDLDDCHUMFC-RDJZCZTQSA-N 1 2 335.448 0.781 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C3Cc4ccccc4C3)C2)nn1 ZINC001105333976 741991891 /nfs/dbraw/zinc/99/18/91/741991891.db2.gz SKNOBDPSWXJSJG-UHFFFAOYSA-N 1 2 335.411 0.799 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C)nn3CC)C2)nn1 ZINC001105334051 741992968 /nfs/dbraw/zinc/99/29/68/741992968.db2.gz VRBNTUCWZPPXIA-UHFFFAOYSA-N 1 2 327.392 0.223 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC34CCC4)C2)nn1 ZINC001105334392 742094084 /nfs/dbraw/zinc/09/40/84/742094084.db2.gz FOWIJFVWSFUDEH-INIZCTEOSA-N 1 2 343.431 0.591 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CO[C@@H]3CCCC[C@H]3C)C2)nn1 ZINC001105336509 742386382 /nfs/dbraw/zinc/38/63/82/742386382.db2.gz GIQJDBMKKGEITB-RHSMWYFYSA-N 1 2 345.447 0.980 20 30 ECEDLO CC1(C)CN(CC#N)C[C@@H]1NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000974964537 742417902 /nfs/dbraw/zinc/41/79/02/742417902.db2.gz WJBLHKUNYBUKOR-CVEARBPZSA-N 1 2 334.464 0.980 20 30 ECEDLO CC1(C)CN(CC#N)C[C@@H]1NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000974964537 742417904 /nfs/dbraw/zinc/41/79/04/742417904.db2.gz WJBLHKUNYBUKOR-CVEARBPZSA-N 1 2 334.464 0.980 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C(C)(C)C1 ZINC000975100819 742481400 /nfs/dbraw/zinc/48/14/00/742481400.db2.gz IEGPRXYLQKXQKC-VHSXEESVSA-N 1 2 328.800 0.164 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C(C)(C)C1 ZINC000975100819 742481404 /nfs/dbraw/zinc/48/14/04/742481404.db2.gz IEGPRXYLQKXQKC-VHSXEESVSA-N 1 2 328.800 0.164 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH]c[nH+]1)C2 ZINC001006727066 751734925 /nfs/dbraw/zinc/73/49/25/751734925.db2.gz VAYORKVXQZFROS-SUJAAXHWSA-N 1 2 344.415 0.791 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)c[nH]1 ZINC000975212475 742609756 /nfs/dbraw/zinc/60/97/56/742609756.db2.gz FJXHYPXHTGADCU-LBPRGKRZSA-N 1 2 340.387 0.821 20 30 ECEDLO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H](C)c1ncc(C(C)(C)C)o1 ZINC001125998362 743159907 /nfs/dbraw/zinc/15/99/07/743159907.db2.gz PFUGXJYAXHXUDZ-LBPRGKRZSA-N 1 2 334.420 0.878 20 30 ECEDLO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H](C)c1nnc(CC(C)C)o1 ZINC001125998753 743165167 /nfs/dbraw/zinc/16/51/67/743165167.db2.gz UUZXDPUPGIADCN-LBPRGKRZSA-N 1 2 335.408 0.174 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001059867266 751828107 /nfs/dbraw/zinc/82/81/07/751828107.db2.gz LDGVTMGSFBBPKZ-CABCVRRESA-N 1 2 332.404 0.276 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000998060247 743954540 /nfs/dbraw/zinc/95/45/40/743954540.db2.gz XQTXDRXNPPICIH-LSDHHAIUSA-N 1 2 326.462 0.757 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000998060247 743954543 /nfs/dbraw/zinc/95/45/43/743954543.db2.gz XQTXDRXNPPICIH-LSDHHAIUSA-N 1 2 326.462 0.757 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCOCC(C)C)[C@H](OC)C1 ZINC001211917737 751874642 /nfs/dbraw/zinc/87/46/42/751874642.db2.gz HWCIWPBMJBFSJE-HUUCEWRRSA-N 1 2 341.452 0.167 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCOCC(C)C)[C@H](OC)C1 ZINC001211917737 751874653 /nfs/dbraw/zinc/87/46/53/751874653.db2.gz HWCIWPBMJBFSJE-HUUCEWRRSA-N 1 2 341.452 0.167 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2nonc2C)C1 ZINC000998923153 744407811 /nfs/dbraw/zinc/40/78/11/744407811.db2.gz OSSJUXDPALGQBD-XUJLQICISA-N 1 2 331.420 0.555 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2nonc2C)C1 ZINC000998923153 744407813 /nfs/dbraw/zinc/40/78/13/744407813.db2.gz OSSJUXDPALGQBD-XUJLQICISA-N 1 2 331.420 0.555 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000976928395 744500980 /nfs/dbraw/zinc/50/09/80/744500980.db2.gz TVXYYJMSNDQXDB-YRWFTTLQSA-N 1 2 348.406 0.749 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CN2CC(=O)NC2=O)C(C)(C)C1 ZINC000977360044 744875505 /nfs/dbraw/zinc/87/55/05/744875505.db2.gz FFWXDRYBLAYMON-JTQLQIEISA-N 1 2 328.800 0.117 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CN2CC(=O)NC2=O)C(C)(C)C1 ZINC000977360044 744875507 /nfs/dbraw/zinc/87/55/07/744875507.db2.gz FFWXDRYBLAYMON-JTQLQIEISA-N 1 2 328.800 0.117 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCCN(C(=O)c3[nH]nnc3C)C2)C1=O ZINC001027517882 744937617 /nfs/dbraw/zinc/93/76/17/744937617.db2.gz KPKMFQGRPJIQAV-KBPBESRZSA-N 1 2 346.435 0.436 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)c3[nH]nnc3C)C2)C1=O ZINC001027517882 744937619 /nfs/dbraw/zinc/93/76/19/744937619.db2.gz KPKMFQGRPJIQAV-KBPBESRZSA-N 1 2 346.435 0.436 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(C)nc2)[C@H](OC)C1 ZINC001211855267 744982999 /nfs/dbraw/zinc/98/29/99/744982999.db2.gz ITIHUDSLNJFBHK-FVQBIDKESA-N 1 2 346.431 0.510 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(C)nc2)[C@H](OC)C1 ZINC001211855267 744983002 /nfs/dbraw/zinc/98/30/02/744983002.db2.gz ITIHUDSLNJFBHK-FVQBIDKESA-N 1 2 346.431 0.510 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)C(C)(C)C1 ZINC000977553845 745176523 /nfs/dbraw/zinc/17/65/23/745176523.db2.gz PWMRHZGAAPPEBT-UONOGXRCSA-N 1 2 343.855 0.813 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)C(C)(C)C1 ZINC000977553845 745176524 /nfs/dbraw/zinc/17/65/24/745176524.db2.gz PWMRHZGAAPPEBT-UONOGXRCSA-N 1 2 343.855 0.813 20 30 ECEDLO CN(C[C@@H]1CCN1C(=O)CCc1[nH]cc[nH+]1)C(=O)c1ccc(C#N)[nH]1 ZINC000977592593 745224629 /nfs/dbraw/zinc/22/46/29/745224629.db2.gz NBHANVDPYFCDTH-ZDUSSCGKSA-N 1 2 340.387 0.915 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC34CCOCC4)C2)nn1 ZINC001105384945 745259389 /nfs/dbraw/zinc/25/93/89/745259389.db2.gz QJMKUPWREAJELE-HNNXBMFYSA-N 1 2 329.404 0.201 20 30 ECEDLO C#CCCCC(=O)NCC[NH2+]Cc1csc(CS(C)(=O)=O)n1 ZINC001126344362 751998602 /nfs/dbraw/zinc/99/86/02/751998602.db2.gz WFJKYXBSVUXSQU-UHFFFAOYSA-N 1 2 343.474 0.697 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3csnn3)C2)nn1 ZINC001000400896 745476996 /nfs/dbraw/zinc/47/69/96/745476996.db2.gz ADUVCTDHGFMEMA-LLVKDONJSA-N 1 2 333.421 0.710 20 30 ECEDLO CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000977912166 745664758 /nfs/dbraw/zinc/66/47/58/745664758.db2.gz XUESMBDFMLZFAV-HZPDHXFCSA-N 1 2 340.427 0.918 20 30 ECEDLO N#Cc1ccc(N2C[C@H]3CC[C@@H](C2)N3C(=O)CCn2cc[nH+]c2)nn1 ZINC001058792966 745798661 /nfs/dbraw/zinc/79/86/61/745798661.db2.gz YSVPXFFQKRAVOW-GASCZTMLSA-N 1 2 337.387 0.815 20 30 ECEDLO C[C@H](c1nnnn1C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC000978017439 745802632 /nfs/dbraw/zinc/80/26/32/745802632.db2.gz CVQYGLYQQZKGTB-JHEVNIALSA-N 1 2 340.391 0.079 20 30 ECEDLO C[C@H](c1nnnn1C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC000978017439 745802639 /nfs/dbraw/zinc/80/26/39/745802639.db2.gz CVQYGLYQQZKGTB-JHEVNIALSA-N 1 2 340.391 0.079 20 30 ECEDLO Cn1ncnc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC000978020907 745805940 /nfs/dbraw/zinc/80/59/40/745805940.db2.gz MVVQQWZEIXSUHV-XYYAHUGASA-N 1 2 325.376 0.123 20 30 ECEDLO Cn1ncnc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC000978020907 745805944 /nfs/dbraw/zinc/80/59/44/745805944.db2.gz MVVQQWZEIXSUHV-XYYAHUGASA-N 1 2 325.376 0.123 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2C(=O)Cc2c[nH+]c[nH]2)cn1 ZINC000978097663 745914199 /nfs/dbraw/zinc/91/41/99/745914199.db2.gz NDCBCRUGBSIYFO-INIZCTEOSA-N 1 2 337.383 0.702 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1cn(C)nn1 ZINC001087548733 745961550 /nfs/dbraw/zinc/96/15/50/745961550.db2.gz LLOLJYUXLWOOFC-LSDHHAIUSA-N 1 2 327.392 0.798 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1cn(C)nn1 ZINC001087548733 745961553 /nfs/dbraw/zinc/96/15/53/745961553.db2.gz LLOLJYUXLWOOFC-LSDHHAIUSA-N 1 2 327.392 0.798 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3cn(C)nn3)C2)nn1 ZINC001027607423 746169515 /nfs/dbraw/zinc/16/95/15/746169515.db2.gz VXUTVWWBWMVDDG-CQSZACIVSA-N 1 2 344.423 0.329 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3cn(C)nn3)C2)nn1 ZINC001027607423 746169518 /nfs/dbraw/zinc/16/95/18/746169518.db2.gz VXUTVWWBWMVDDG-CQSZACIVSA-N 1 2 344.423 0.329 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cnnn3C)[C@@H]2CC)nn1 ZINC001087754003 746286662 /nfs/dbraw/zinc/28/66/62/746286662.db2.gz KLUVBQCJSJOQCW-DZGCQCFKSA-N 1 2 344.423 0.376 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cnnn3C)[C@@H]2CC)nn1 ZINC001087754003 746286664 /nfs/dbraw/zinc/28/66/64/746286664.db2.gz KLUVBQCJSJOQCW-DZGCQCFKSA-N 1 2 344.423 0.376 20 30 ECEDLO C=CCC[N@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H]1CC ZINC001087765760 746307298 /nfs/dbraw/zinc/30/72/98/746307298.db2.gz UCBNPMOQBRUCBM-UONOGXRCSA-N 1 2 344.419 0.616 20 30 ECEDLO C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H]1CC ZINC001087765760 746307307 /nfs/dbraw/zinc/30/73/07/746307307.db2.gz UCBNPMOQBRUCBM-UONOGXRCSA-N 1 2 344.419 0.616 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@H](n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001098705807 746329715 /nfs/dbraw/zinc/32/97/15/746329715.db2.gz KKDYYHKSMVGGEQ-HIFRSBDPSA-N 1 2 348.451 0.489 20 30 ECEDLO C#CCNC(=O)CC(=O)NC1CC[NH+](CC(=C)Br)CC1 ZINC001226961667 746437092 /nfs/dbraw/zinc/43/70/92/746437092.db2.gz JSIVIPKFOKZIJY-UHFFFAOYSA-N 1 2 342.237 0.615 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001001506089 746444236 /nfs/dbraw/zinc/44/42/36/746444236.db2.gz KGEAXWAEBRTRNT-UHFFFAOYSA-N 1 2 326.360 0.051 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ncccc2O)C1 ZINC001001553498 746487843 /nfs/dbraw/zinc/48/78/43/746487843.db2.gz UUKHHAVISCJDNY-AWEZNQCLSA-N 1 2 342.399 0.073 20 30 ECEDLO Cn1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1 ZINC001087938633 746688847 /nfs/dbraw/zinc/68/88/47/746688847.db2.gz DNYDEGQKGSZUKK-NEPJUHHUSA-N 1 2 340.391 0.004 20 30 ECEDLO Cn1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]2C1 ZINC001087938633 746688850 /nfs/dbraw/zinc/68/88/50/746688850.db2.gz DNYDEGQKGSZUKK-NEPJUHHUSA-N 1 2 340.391 0.004 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2CC[NH+](Cc3nnnn3C)CC2)cn1 ZINC001002056562 746935013 /nfs/dbraw/zinc/93/50/13/746935013.db2.gz YTENDLZXAACNNG-UHFFFAOYSA-N 1 2 339.403 0.228 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)NC ZINC001029511682 747206702 /nfs/dbraw/zinc/20/67/02/747206702.db2.gz XHSQFQBOXLAEOI-OWYFMNJBSA-N 1 2 335.448 0.777 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)NC ZINC001029511682 747206706 /nfs/dbraw/zinc/20/67/06/747206706.db2.gz XHSQFQBOXLAEOI-OWYFMNJBSA-N 1 2 335.448 0.777 20 30 ECEDLO Cc1nnc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)o1 ZINC000979275827 747497489 /nfs/dbraw/zinc/49/74/89/747497489.db2.gz OXKZCJLMXSSPIE-HZMBPMFUSA-N 1 2 344.375 0.597 20 30 ECEDLO C[C@H](c1nncn1C)[NH+]1CCC(NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001002620622 747581692 /nfs/dbraw/zinc/58/16/92/747581692.db2.gz NTPDJCOFKCRFIO-LLVKDONJSA-N 1 2 327.392 0.970 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1)C(=O)c1ccc(C#N)[nH]1 ZINC001002647470 747613903 /nfs/dbraw/zinc/61/39/03/747613903.db2.gz GRZJQRBZKXJQJF-AWEZNQCLSA-N 1 2 340.387 0.846 20 30 ECEDLO C[C@H](c1nncn1C)[NH+]1CCC(NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001002648589 747616190 /nfs/dbraw/zinc/61/61/90/747616190.db2.gz MJRLVNWCSRLGPH-LLVKDONJSA-N 1 2 327.392 0.970 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000979333109 747657716 /nfs/dbraw/zinc/65/77/16/747657716.db2.gz XWMXIZDSFNUPLW-OSRDXIQISA-N 1 2 332.404 0.554 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3n[nH]cc3F)C2)nn1 ZINC001098722714 747686165 /nfs/dbraw/zinc/68/61/65/747686165.db2.gz PWUFMTXHIQHKDL-LBPRGKRZSA-N 1 2 331.355 0.340 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(C)[nH]n2)C1 ZINC001002829825 747847000 /nfs/dbraw/zinc/84/70/00/747847000.db2.gz OSYARPBSRWURDL-HNNXBMFYSA-N 1 2 329.404 0.004 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2cc(C)[nH]n2)C1 ZINC001002829825 747847008 /nfs/dbraw/zinc/84/70/08/747847008.db2.gz OSYARPBSRWURDL-HNNXBMFYSA-N 1 2 329.404 0.004 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCC(NC(=O)C3CS(=O)(=O)C3)CC2)cc1 ZINC001002903782 747940226 /nfs/dbraw/zinc/94/02/26/747940226.db2.gz PIMPLFRLMZAKSW-UHFFFAOYSA-N 1 2 347.440 0.683 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCOC(C)C)[C@H](OC)C1 ZINC001211898970 747966927 /nfs/dbraw/zinc/96/69/27/747966927.db2.gz OKJWVPNGYKVNGF-RRFJBIMHSA-N 1 2 341.452 0.308 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCOC(C)C)[C@H](OC)C1 ZINC001211898970 747966930 /nfs/dbraw/zinc/96/69/30/747966930.db2.gz OKJWVPNGYKVNGF-RRFJBIMHSA-N 1 2 341.452 0.308 20 30 ECEDLO CCn1nncc1C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001027812980 747997132 /nfs/dbraw/zinc/99/71/32/747997132.db2.gz KVSWMGQFOUCORY-CYBMUJFWSA-N 1 2 327.392 0.892 20 30 ECEDLO CCn1nncc1C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001027812980 747997137 /nfs/dbraw/zinc/99/71/37/747997137.db2.gz KVSWMGQFOUCORY-CYBMUJFWSA-N 1 2 327.392 0.892 20 30 ECEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1COC(=O)N1 ZINC001007260999 752233391 /nfs/dbraw/zinc/23/33/91/752233391.db2.gz OXLURECBDMGHPE-HOTGVXAUSA-N 1 2 345.374 0.866 20 30 ECEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1COC(=O)N1 ZINC001007260999 752233398 /nfs/dbraw/zinc/23/33/98/752233398.db2.gz OXLURECBDMGHPE-HOTGVXAUSA-N 1 2 345.374 0.866 20 30 ECEDLO COCc1noc(C[N@H+](C)C[C@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC001029733145 748175414 /nfs/dbraw/zinc/17/54/14/748175414.db2.gz GLHOKLPHJPCVES-CQSZACIVSA-N 1 2 332.404 0.910 20 30 ECEDLO COCc1noc(C[N@@H+](C)C[C@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC001029733145 748175418 /nfs/dbraw/zinc/17/54/18/748175418.db2.gz GLHOKLPHJPCVES-CQSZACIVSA-N 1 2 332.404 0.910 20 30 ECEDLO CC(C)n1nnnc1C[N@H+](C)C[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001029734075 748176133 /nfs/dbraw/zinc/17/61/33/748176133.db2.gz RDLYIYRLWWSJCB-HNNXBMFYSA-N 1 2 330.436 0.948 20 30 ECEDLO CC(C)n1nnnc1C[N@@H+](C)C[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001029734075 748176136 /nfs/dbraw/zinc/17/61/36/748176136.db2.gz RDLYIYRLWWSJCB-HNNXBMFYSA-N 1 2 330.436 0.948 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccn(C)n2)C1 ZINC001029757657 748268281 /nfs/dbraw/zinc/26/82/81/748268281.db2.gz FZEKBRCWSSRWCK-WMZOPIPTSA-N 1 2 343.475 0.798 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccn(C)n2)C1 ZINC001029757657 748268286 /nfs/dbraw/zinc/26/82/86/748268286.db2.gz FZEKBRCWSSRWCK-WMZOPIPTSA-N 1 2 343.475 0.798 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2nnc(C)[nH]2)C1 ZINC001029758450 748271516 /nfs/dbraw/zinc/27/15/16/748271516.db2.gz YTXFWIVFJMGQAC-HOTGVXAUSA-N 1 2 344.463 0.491 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2nnc(C)[nH]2)C1 ZINC001029758450 748271521 /nfs/dbraw/zinc/27/15/21/748271521.db2.gz YTXFWIVFJMGQAC-HOTGVXAUSA-N 1 2 344.463 0.491 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)nn1 ZINC000979786494 748389322 /nfs/dbraw/zinc/38/93/22/748389322.db2.gz ZICMTXOBVKFJFC-HAQNSBGRSA-N 1 2 343.391 0.055 20 30 ECEDLO O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]12 ZINC000979823248 748470328 /nfs/dbraw/zinc/47/03/28/748470328.db2.gz NCNUZEJKYJOLBG-QLFBSQMISA-N 1 2 326.400 0.719 20 30 ECEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 ZINC001003430443 748547556 /nfs/dbraw/zinc/54/75/56/748547556.db2.gz WODPTQSHMOATCZ-RYUDHWBXSA-N 1 2 344.253 0.987 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000985575899 748585342 /nfs/dbraw/zinc/58/53/42/748585342.db2.gz DFBLVPDIWCMOOB-DZGCQCFKSA-N 1 2 340.387 0.961 20 30 ECEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001003533376 748653236 /nfs/dbraw/zinc/65/32/36/748653236.db2.gz VNVZLHCBZRSHST-SNVBAGLBSA-N 1 2 331.214 0.157 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2ncnn2C)C1 ZINC001029846283 748770538 /nfs/dbraw/zinc/77/05/38/748770538.db2.gz DJHIRHUKXLZMBN-KFWWJZLASA-N 1 2 333.436 0.687 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2ncnn2C)C1 ZINC001029846283 748770544 /nfs/dbraw/zinc/77/05/44/748770544.db2.gz DJHIRHUKXLZMBN-KFWWJZLASA-N 1 2 333.436 0.687 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001027859020 748787918 /nfs/dbraw/zinc/78/79/18/748787918.db2.gz JTQKWMQSWYJJLF-NXEZZACHSA-N 1 2 332.198 0.584 20 30 ECEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001027859020 748787923 /nfs/dbraw/zinc/78/79/23/748787923.db2.gz JTQKWMQSWYJJLF-NXEZZACHSA-N 1 2 332.198 0.584 20 30 ECEDLO CC[C@@H]1C[C@H]1C(=O)N1CC[C@H](n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001098734122 749145172 /nfs/dbraw/zinc/14/51/72/749145172.db2.gz QACFWBYVDWILBF-HYVNUMGLSA-N 1 2 345.447 0.837 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1cnnn1C ZINC001027890135 749153348 /nfs/dbraw/zinc/15/33/48/749153348.db2.gz QDFXXCVAIMMJOY-BMFZPTHFSA-N 1 2 333.436 0.877 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cnnn1C ZINC001027890135 749153353 /nfs/dbraw/zinc/15/33/53/749153353.db2.gz QDFXXCVAIMMJOY-BMFZPTHFSA-N 1 2 333.436 0.877 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3cc(C)on3)CC2)CC1 ZINC000985826324 749184587 /nfs/dbraw/zinc/18/45/87/749184587.db2.gz QGEFHSHKRQEYCI-UHFFFAOYSA-N 1 2 347.419 0.664 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3cncn3C)CC2)CC1 ZINC000985829765 749196277 /nfs/dbraw/zinc/19/62/77/749196277.db2.gz LSZZWSXMVBTRIE-UHFFFAOYSA-N 1 2 346.435 0.102 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCN(C(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000985830730 749198514 /nfs/dbraw/zinc/19/85/14/749198514.db2.gz UPFCMVUMXHXLGI-UHFFFAOYSA-N 1 2 338.452 0.073 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc(C)nc3C)C2)nn1 ZINC001105345915 749236358 /nfs/dbraw/zinc/23/63/58/749236358.db2.gz PWYJFUPTISIQFB-UHFFFAOYSA-N 1 2 325.376 0.105 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000986027059 749385844 /nfs/dbraw/zinc/38/58/44/749385844.db2.gz SXQPCFGJSBSUOX-MCIONIFRSA-N 1 2 329.404 0.809 20 30 ECEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCN2C(=O)CCC2=O)CC1 ZINC001004476172 749546062 /nfs/dbraw/zinc/54/60/62/749546062.db2.gz KBNMQYVIRKWPMY-HNNXBMFYSA-N 1 2 346.431 0.752 20 30 ECEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCN2C(=O)CCC2=O)CC1 ZINC001004476172 749546070 /nfs/dbraw/zinc/54/60/70/749546070.db2.gz KBNMQYVIRKWPMY-HNNXBMFYSA-N 1 2 346.431 0.752 20 30 ECEDLO Cn1c(=O)[nH]cc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)c1=O ZINC001004508100 749580756 /nfs/dbraw/zinc/58/07/56/749580756.db2.gz QYPNKBSMBTZOHY-CQSZACIVSA-N 1 2 345.403 0.326 20 30 ECEDLO Cn1c(=O)[nH]cc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)c1=O ZINC001004508100 749580762 /nfs/dbraw/zinc/58/07/62/749580762.db2.gz QYPNKBSMBTZOHY-CQSZACIVSA-N 1 2 345.403 0.326 20 30 ECEDLO Cn1cc(CCC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)nn1 ZINC001004637784 749717502 /nfs/dbraw/zinc/71/75/02/749717502.db2.gz WSDDBEZGBRGISH-INIZCTEOSA-N 1 2 330.436 0.974 20 30 ECEDLO Cn1cc(CCC(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)nn1 ZINC001004637784 749717505 /nfs/dbraw/zinc/71/75/05/749717505.db2.gz WSDDBEZGBRGISH-INIZCTEOSA-N 1 2 330.436 0.974 20 30 ECEDLO C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001004720922 749779192 /nfs/dbraw/zinc/77/91/92/749779192.db2.gz AZPSRLOANMBWGX-IAQYHMDHSA-N 1 2 340.387 0.819 20 30 ECEDLO C=CCn1cccc1C(=O)N1CC[C@H]([NH2+]Cc2nnn(C)n2)[C@H]1C ZINC000986362365 749823601 /nfs/dbraw/zinc/82/36/01/749823601.db2.gz FRJYGFFDFVGZFO-OLZOCXBDSA-N 1 2 329.408 0.590 20 30 ECEDLO Cn1nnnc1C[N@H+](C)CC1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001029958366 750082998 /nfs/dbraw/zinc/08/29/98/750082998.db2.gz ZXMMURSPLNVMFD-UHFFFAOYSA-N 1 2 342.407 0.394 20 30 ECEDLO Cn1nnnc1C[N@@H+](C)CC1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001029958366 750083005 /nfs/dbraw/zinc/08/30/05/750083005.db2.gz ZXMMURSPLNVMFD-UHFFFAOYSA-N 1 2 342.407 0.394 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)CCc3nnc[nH]3)CC2)C1=O ZINC000980925935 750348405 /nfs/dbraw/zinc/34/84/05/750348405.db2.gz CEXFUSOXMZBHAY-AWEZNQCLSA-N 1 2 346.435 0.059 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)CCc3nnc[nH]3)CC2)C1=O ZINC000980925935 750348411 /nfs/dbraw/zinc/34/84/11/750348411.db2.gz CEXFUSOXMZBHAY-AWEZNQCLSA-N 1 2 346.435 0.059 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1CC[NH+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC001005258661 750430573 /nfs/dbraw/zinc/43/05/73/750430573.db2.gz FNYUZKGNBHYQRO-UHFFFAOYSA-N 1 2 343.391 0.045 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001005259491 750431395 /nfs/dbraw/zinc/43/13/95/750431395.db2.gz LLQDJEXQHMBJSV-UHFFFAOYSA-N 1 2 338.433 0.467 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCO[C@@H](CCC)C3)C2)nn1 ZINC001105350194 750438086 /nfs/dbraw/zinc/43/80/86/750438086.db2.gz XVDYZFPPBCTOSH-PBHICJAKSA-N 1 2 345.447 0.980 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2Cc2nc(=O)n(C)[nH]2)cc1 ZINC001028067433 750461533 /nfs/dbraw/zinc/46/15/33/750461533.db2.gz UJTQVCSZPOXKJU-OAHLLOKOSA-N 1 2 339.399 0.484 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2nc(=O)n(C)[nH]2)cc1 ZINC001028067433 750461536 /nfs/dbraw/zinc/46/15/36/750461536.db2.gz UJTQVCSZPOXKJU-OAHLLOKOSA-N 1 2 339.399 0.484 20 30 ECEDLO C#CC[NH+]1CCC(N(C)C(=O)Cc2cc(=O)n(CC(C)C)[nH]2)CC1 ZINC001005674940 750516520 /nfs/dbraw/zinc/51/65/20/750516520.db2.gz DDHHXFRSZUXXBD-UHFFFAOYSA-N 1 2 332.448 0.931 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(C)o3)[C@H]2C)nn1 ZINC000987166598 750560032 /nfs/dbraw/zinc/56/00/32/750560032.db2.gz HUBLDTFXNODYDQ-DGCLKSJQSA-N 1 2 345.407 0.938 20 30 ECEDLO C#Cc1cccc(NC(=O)C[NH+]2CCC(N(C)C(=O)C(N)=O)CC2)c1 ZINC001005914607 750794662 /nfs/dbraw/zinc/79/46/62/750794662.db2.gz OCDXXTWFVWXSGK-UHFFFAOYSA-N 1 2 342.399 0.015 20 30 ECEDLO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001005928071 750811086 /nfs/dbraw/zinc/81/10/86/750811086.db2.gz QRJSQCYBHWQLJA-NSHDSACASA-N 1 2 340.387 0.819 20 30 ECEDLO C=C1CC(C)(C(=O)N(C)C2CC[NH+](Cc3nc(=O)n(C)[nH]3)CC2)C1 ZINC001005933071 750815890 /nfs/dbraw/zinc/81/58/90/750815890.db2.gz NDVNIENTQZCZTR-UHFFFAOYSA-N 1 2 333.436 0.888 20 30 ECEDLO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001005949557 750837881 /nfs/dbraw/zinc/83/78/81/750837881.db2.gz XGMBJIJKBAVKNU-LLVKDONJSA-N 1 2 326.360 0.360 20 30 ECEDLO Cc1nc(NC[C@H](O)CNC(=O)C#CC2CC2)c2c([nH+]1)CCCC2 ZINC001105825855 762077325 /nfs/dbraw/zinc/07/73/25/762077325.db2.gz RRKBEIUJHOTQQO-CQSZACIVSA-N 1 2 328.416 0.966 20 30 ECEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001028109323 750911925 /nfs/dbraw/zinc/91/19/25/750911925.db2.gz GTBASXYTIRAPFT-VHSXEESVSA-N 1 2 331.214 0.157 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001028109323 750911920 /nfs/dbraw/zinc/91/19/20/750911920.db2.gz GTBASXYTIRAPFT-VHSXEESVSA-N 1 2 331.214 0.157 20 30 ECEDLO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCc4[nH]cnc4C3)C2)nn1 ZINC001105357898 751015268 /nfs/dbraw/zinc/01/52/68/751015268.db2.gz MQBVGHYRDGHVJZ-GFCCVEGCSA-N 1 2 341.419 0.465 20 30 ECEDLO C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)nn1 ZINC001105357898 751015276 /nfs/dbraw/zinc/01/52/76/751015276.db2.gz MQBVGHYRDGHVJZ-GFCCVEGCSA-N 1 2 341.419 0.465 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC[N@@H+](CC(=O)N2CCO[C@H](C)C2)CC1 ZINC000981754499 751058451 /nfs/dbraw/zinc/05/84/51/751058451.db2.gz GPCFHZKJBBXBHX-OAHLLOKOSA-N 1 2 337.464 0.980 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC[N@H+](CC(=O)N2CCO[C@H](C)C2)CC1 ZINC000981754499 751058454 /nfs/dbraw/zinc/05/84/54/751058454.db2.gz GPCFHZKJBBXBHX-OAHLLOKOSA-N 1 2 337.464 0.980 20 30 ECEDLO C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001059820234 751075870 /nfs/dbraw/zinc/07/58/70/751075870.db2.gz SDMNQSLPWHDHCM-CQSZACIVSA-N 1 2 334.420 0.900 20 30 ECEDLO C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001059820234 751075875 /nfs/dbraw/zinc/07/58/75/751075875.db2.gz SDMNQSLPWHDHCM-CQSZACIVSA-N 1 2 334.420 0.900 20 30 ECEDLO C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CN(C(=O)C#CC2CC2)C1 ZINC001006311096 751228806 /nfs/dbraw/zinc/22/88/06/751228806.db2.gz JEGYAEGOHAEJFW-HIFRSBDPSA-N 1 2 340.427 0.822 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C2CC[NH+](Cc3cn(C)nn3)CC2)cn1 ZINC001006312700 751230732 /nfs/dbraw/zinc/23/07/32/751230732.db2.gz ICEYDWVYAGXGJO-UHFFFAOYSA-N 1 2 338.415 0.928 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2ccn[nH]2)C1 ZINC001006317529 751239685 /nfs/dbraw/zinc/23/96/85/751239685.db2.gz HLTUVWFPBIWDGN-WFASDCNBSA-N 1 2 329.404 0.084 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)c2ccn[nH]2)C1 ZINC001006317529 751239686 /nfs/dbraw/zinc/23/96/86/751239686.db2.gz HLTUVWFPBIWDGN-WFASDCNBSA-N 1 2 329.404 0.084 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001007448772 752392989 /nfs/dbraw/zinc/39/29/89/752392989.db2.gz SANRZQZZBJXECH-KBPBESRZSA-N 1 2 343.855 0.814 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001007448772 752392999 /nfs/dbraw/zinc/39/29/99/752392999.db2.gz SANRZQZZBJXECH-KBPBESRZSA-N 1 2 343.855 0.814 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C3(CCOC)CCC3)C2)nn1 ZINC001105368461 752469407 /nfs/dbraw/zinc/46/94/07/752469407.db2.gz XSXAZQCEEDFWRN-UHFFFAOYSA-N 1 2 345.447 0.981 20 30 ECEDLO COCc1noc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000988657452 752494208 /nfs/dbraw/zinc/49/42/08/752494208.db2.gz UILKQUNQXYPQPB-JQWIXIFHSA-N 1 2 344.375 0.809 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@]2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)CCO2 ZINC001007655646 752722517 /nfs/dbraw/zinc/72/25/17/752722517.db2.gz SWKUGGKGSWIRHI-GOSISDBHSA-N 1 2 342.399 0.196 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3ccon3)C2)nn1 ZINC001098645443 752725380 /nfs/dbraw/zinc/72/53/80/752725380.db2.gz MIZGJLLQDURBFN-OAHLLOKOSA-N 1 2 328.376 0.395 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cn(C)nc3C)C2)nn1 ZINC001098645495 752731386 /nfs/dbraw/zinc/73/13/86/752731386.db2.gz NTOWAXKQWUEKPN-CQSZACIVSA-N 1 2 327.392 0.130 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001007669350 752750799 /nfs/dbraw/zinc/75/07/99/752750799.db2.gz TVCNXTRRVQTEOW-GUYCJALGSA-N 1 2 345.403 0.332 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001007669350 752750805 /nfs/dbraw/zinc/75/08/05/752750805.db2.gz TVCNXTRRVQTEOW-GUYCJALGSA-N 1 2 345.403 0.332 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C=C(C)C)[C@H](OC)C1 ZINC001211795169 752775491 /nfs/dbraw/zinc/77/54/91/752775491.db2.gz ARXJLBNRJXSWLM-HZPDHXFCSA-N 1 2 335.448 0.969 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)C=C(C)C)[C@H](OC)C1 ZINC001211795169 752775496 /nfs/dbraw/zinc/77/54/96/752775496.db2.gz ARXJLBNRJXSWLM-HZPDHXFCSA-N 1 2 335.448 0.969 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC2CCCC2)[C@H](OC)C1 ZINC001211800344 752783679 /nfs/dbraw/zinc/78/36/79/752783679.db2.gz QOTJNLXKOVSZSD-USXIJHARSA-N 1 2 349.475 0.910 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC2CCCC2)[C@H](OC)C1 ZINC001211800344 752783680 /nfs/dbraw/zinc/78/36/80/752783680.db2.gz QOTJNLXKOVSZSD-USXIJHARSA-N 1 2 349.475 0.910 20 30 ECEDLO Cn1ccc(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)n1 ZINC001083455296 752825316 /nfs/dbraw/zinc/82/53/16/752825316.db2.gz XGKDQJCXIODVPL-CABCVRRESA-N 1 2 345.428 0.257 20 30 ECEDLO Cn1ccc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)n1 ZINC001083455296 752825325 /nfs/dbraw/zinc/82/53/25/752825325.db2.gz XGKDQJCXIODVPL-CABCVRRESA-N 1 2 345.428 0.257 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](OCC)C3CC3)C2)nn1 ZINC001098679309 752930154 /nfs/dbraw/zinc/93/01/54/752930154.db2.gz YBIVVCUPDNHLSR-JKSUJKDBSA-N 1 2 331.420 0.589 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC000982575974 752952028 /nfs/dbraw/zinc/95/20/28/752952028.db2.gz SHVSLYPIDXAYQD-HOCLYGCPSA-N 1 2 343.431 0.015 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC000982575974 752952031 /nfs/dbraw/zinc/95/20/31/752952031.db2.gz SHVSLYPIDXAYQD-HOCLYGCPSA-N 1 2 343.431 0.015 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2nc(C3CCC3)no2)C1 ZINC001051495175 762207318 /nfs/dbraw/zinc/20/73/18/762207318.db2.gz RMVDJNGZFBNZGC-WCQYABFASA-N 1 2 333.392 0.814 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000982739471 753449961 /nfs/dbraw/zinc/44/99/61/753449961.db2.gz MXZBTQLUOHENJP-CVEARBPZSA-N 1 2 340.427 0.824 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H](C)Nc2nc(N(C)C)nc(C)[nH+]2)c1 ZINC001098259133 753546506 /nfs/dbraw/zinc/54/65/06/753546506.db2.gz PDSPWYQRGZWODM-NSHDSACASA-N 1 2 339.403 0.853 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3cc(C)oc3C)[C@@H](O)C2)C1=O ZINC001083335184 753593308 /nfs/dbraw/zinc/59/33/08/753593308.db2.gz COIOHDICGIGYGE-OAGGEKHMSA-N 1 2 347.415 0.458 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3cc(C)oc3C)[C@@H](O)C2)C1=O ZINC001083335184 753593310 /nfs/dbraw/zinc/59/33/10/753593310.db2.gz COIOHDICGIGYGE-OAGGEKHMSA-N 1 2 347.415 0.458 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001059971522 753719163 /nfs/dbraw/zinc/71/91/63/753719163.db2.gz CFPPQXFHSPMWRO-LSDHHAIUSA-N 1 2 346.431 0.356 20 30 ECEDLO C=CCO[C@@H](C)C(=O)NCC[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001059972434 753743201 /nfs/dbraw/zinc/74/32/01/753743201.db2.gz MORHOQUQJKZYRR-GJZGRUSLSA-N 1 2 348.447 0.909 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3cccc(=O)[nH]3)[C@@H](O)C2)s1 ZINC001083389364 753777214 /nfs/dbraw/zinc/77/72/14/753777214.db2.gz AYMCEWPUAQUNIC-KGLIPLIRSA-N 1 2 344.396 0.695 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)c3cccc(=O)[nH]3)[C@@H](O)C2)s1 ZINC001083389364 753777218 /nfs/dbraw/zinc/77/72/18/753777218.db2.gz AYMCEWPUAQUNIC-KGLIPLIRSA-N 1 2 344.396 0.695 20 30 ECEDLO Cc1cnc([C@H](C)[N@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)cn1 ZINC001083392557 753793399 /nfs/dbraw/zinc/79/33/99/753793399.db2.gz OGOKLBMTVYEBTR-XZJROXQQSA-N 1 2 340.387 0.521 20 30 ECEDLO Cc1cnc([C@H](C)[N@@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)cn1 ZINC001083392557 753793402 /nfs/dbraw/zinc/79/34/02/753793402.db2.gz OGOKLBMTVYEBTR-XZJROXQQSA-N 1 2 340.387 0.521 20 30 ECEDLO CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001083392503 753793971 /nfs/dbraw/zinc/79/39/71/753793971.db2.gz LROKPBQDVODRMO-CVEARBPZSA-N 1 2 343.387 0.720 20 30 ECEDLO CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001083392503 753793975 /nfs/dbraw/zinc/79/39/75/753793975.db2.gz LROKPBQDVODRMO-CVEARBPZSA-N 1 2 343.387 0.720 20 30 ECEDLO COc1cccc(C[N@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)n1 ZINC001083392671 753795136 /nfs/dbraw/zinc/79/51/36/753795136.db2.gz SZLPZWILGIQWED-CABCVRRESA-N 1 2 341.371 0.265 20 30 ECEDLO COc1cccc(C[N@@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)n1 ZINC001083392671 753795141 /nfs/dbraw/zinc/79/51/41/753795141.db2.gz SZLPZWILGIQWED-CABCVRRESA-N 1 2 341.371 0.265 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CC[C@H]3CC[C@H](C)O3)C2)nn1 ZINC001105375826 753829805 /nfs/dbraw/zinc/82/98/05/753829805.db2.gz QWCNWCJTTAQFBW-XJKSGUPXSA-N 1 2 331.420 0.732 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CC[C@@H]3CC[C@H](C)O3)C2)nn1 ZINC001105375823 753830019 /nfs/dbraw/zinc/83/00/19/753830019.db2.gz QWCNWCJTTAQFBW-BBRMVZONSA-N 1 2 331.420 0.732 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC001008512267 753839677 /nfs/dbraw/zinc/83/96/77/753839677.db2.gz LCLBMYCQARBLOI-RDBSUJKOSA-N 1 2 346.431 0.897 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC001014102667 762255757 /nfs/dbraw/zinc/25/57/57/762255757.db2.gz OQLMFUPRZFIMTN-DGCLKSJQSA-N 1 2 343.391 0.149 20 30 ECEDLO C=C(Br)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2ncn[nH]2)C1 ZINC000989658027 754263532 /nfs/dbraw/zinc/26/35/32/754263532.db2.gz RKDRTGULLGWJHH-ZJUUUORDSA-N 1 2 328.214 0.835 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001009265084 754721817 /nfs/dbraw/zinc/72/18/17/754721817.db2.gz WVARXPGWAOAGNF-DZGCQCFKSA-N 1 2 342.399 0.176 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001009265084 754721820 /nfs/dbraw/zinc/72/18/20/754721820.db2.gz WVARXPGWAOAGNF-DZGCQCFKSA-N 1 2 342.399 0.176 20 30 ECEDLO Cn1ncc(C[N@@H+]2CC[C@]3(NC(=O)c4ccc(C#N)[nH]4)CCC[C@@H]23)n1 ZINC000990249598 754876511 /nfs/dbraw/zinc/87/65/11/754876511.db2.gz FQBSUBWQEGUVHN-NVXWUHKLSA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1ncc(C[N@H+]2CC[C@]3(NC(=O)c4ccc(C#N)[nH]4)CCC[C@@H]23)n1 ZINC000990249598 754876512 /nfs/dbraw/zinc/87/65/12/754876512.db2.gz FQBSUBWQEGUVHN-NVXWUHKLSA-N 1 2 339.403 0.942 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ccnnc3C)C2)nn1 ZINC001098688817 755071821 /nfs/dbraw/zinc/07/18/21/755071821.db2.gz ZOUCTJXROASPAQ-HNNXBMFYSA-N 1 2 339.403 0.577 20 30 ECEDLO COc1nc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)co1 ZINC001077458624 762366876 /nfs/dbraw/zinc/36/68/76/762366876.db2.gz CLLWNYASDCECHP-UKRRQHHQSA-N 1 2 342.355 0.530 20 30 ECEDLO COc1nc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)co1 ZINC001077458624 762366880 /nfs/dbraw/zinc/36/68/80/762366880.db2.gz CLLWNYASDCECHP-UKRRQHHQSA-N 1 2 342.355 0.530 20 30 ECEDLO N#Cc1nccc(NC[C@H]2CCC[C@H]2NC(=O)CCc2[nH]cc[nH+]2)n1 ZINC001105655396 755205023 /nfs/dbraw/zinc/20/50/23/755205023.db2.gz PQRIFYJFHCBXDD-CHWSQXEVSA-N 1 2 339.403 0.823 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3nnc(C)o3)C2)nn1 ZINC001028856860 755323363 /nfs/dbraw/zinc/32/33/63/755323363.db2.gz PWQQORWYVBCEOF-CYBMUJFWSA-N 1 2 345.407 0.798 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3nnc(C)o3)C2)nn1 ZINC001028856860 755323366 /nfs/dbraw/zinc/32/33/66/755323366.db2.gz PWQQORWYVBCEOF-CYBMUJFWSA-N 1 2 345.407 0.798 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@H](Nc2nccnc2C#N)C1 ZINC001059127144 755395168 /nfs/dbraw/zinc/39/51/68/755395168.db2.gz CHGCGRWWTIFNMU-LBPRGKRZSA-N 1 2 325.376 0.727 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O)c1cc[nH]c1 ZINC001083478911 755612322 /nfs/dbraw/zinc/61/23/22/755612322.db2.gz LOKJSQHMPYLMSM-SJORKVTESA-N 1 2 327.359 0.980 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O)c1cc[nH]c1 ZINC001083478911 755612326 /nfs/dbraw/zinc/61/23/26/755612326.db2.gz LOKJSQHMPYLMSM-SJORKVTESA-N 1 2 327.359 0.980 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cn(C)cn3)C2)nn1 ZINC001098655613 755641406 /nfs/dbraw/zinc/64/14/06/755641406.db2.gz HKZPKWBICFIDMM-CQSZACIVSA-N 1 2 327.392 0.212 20 30 ECEDLO CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ncn[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001105668367 755642540 /nfs/dbraw/zinc/64/25/40/755642540.db2.gz WMJBTAPIWPPQHH-KNCCTNLNSA-N 1 2 345.447 0.337 20 30 ECEDLO CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3ncn[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105668363 755642629 /nfs/dbraw/zinc/64/26/29/755642629.db2.gz WMJBTAPIWPPQHH-DTDBQYNISA-N 1 2 345.447 0.337 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001088800708 755735514 /nfs/dbraw/zinc/73/55/14/755735514.db2.gz PHJJOQJBSWDJJD-DOMZBBRYSA-N 1 2 342.378 0.594 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001088800708 755735517 /nfs/dbraw/zinc/73/55/17/755735517.db2.gz PHJJOQJBSWDJJD-DOMZBBRYSA-N 1 2 342.378 0.594 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3coc(C)n3)C2)nn1 ZINC001098659486 755826766 /nfs/dbraw/zinc/82/67/66/755826766.db2.gz QMFDSIPWZRPAQR-AWEZNQCLSA-N 1 2 328.376 0.775 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@](C)(O)C3CC3)C2)nn1 ZINC001098659723 755848605 /nfs/dbraw/zinc/84/86/05/755848605.db2.gz RZCSNINGGTYJOC-WBVHZDCISA-N 1 2 331.420 0.325 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)COC(C)(C)C)C2)nn1 ZINC001098661496 756060993 /nfs/dbraw/zinc/06/09/93/756060993.db2.gz OBCUJYUHFPQCDB-OAHLLOKOSA-N 1 2 333.436 0.980 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3oc(C)nc3C)C2)C1=O ZINC001010434167 756133769 /nfs/dbraw/zinc/13/37/69/756133769.db2.gz YNIYDHXUEYRJKY-KBPBESRZSA-N 1 2 332.404 0.882 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3oc(C)nc3C)C2)C1=O ZINC001010434167 756133773 /nfs/dbraw/zinc/13/37/73/756133773.db2.gz YNIYDHXUEYRJKY-KBPBESRZSA-N 1 2 332.404 0.882 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC[C@H](C)OC)C2)nn1 ZINC001098661938 756135141 /nfs/dbraw/zinc/13/51/41/756135141.db2.gz UWWRNHUTVHPMBN-GOEBONIOSA-N 1 2 333.436 0.980 20 30 ECEDLO COCc1noc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC001051608307 762456217 /nfs/dbraw/zinc/45/62/17/762456217.db2.gz BRCVXRMCOXLAQV-GXTWGEPZSA-N 1 2 348.403 0.507 20 30 ECEDLO C[C@@H](CCNC(=O)CCc1[nH]cc[nH+]1)NC(=O)c1cc(C#N)c[nH]1 ZINC001076321472 756369903 /nfs/dbraw/zinc/36/99/03/756369903.db2.gz HFALIXKPNRSAOB-NSHDSACASA-N 1 2 328.376 0.867 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnc(C)[nH]2)CC1 ZINC001010682708 756393573 /nfs/dbraw/zinc/39/35/73/756393573.db2.gz NDDFZMDNMWTCOY-HNNXBMFYSA-N 1 2 329.404 0.100 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cnc(C)[nH]2)CC1 ZINC001010682708 756393579 /nfs/dbraw/zinc/39/35/79/756393579.db2.gz NDDFZMDNMWTCOY-HNNXBMFYSA-N 1 2 329.404 0.100 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cnnn4C)C[C@H]32)cn1 ZINC001076476853 756564120 /nfs/dbraw/zinc/56/41/20/756564120.db2.gz FRTXLCVZKXIGJU-WMLDXEAASA-N 1 2 336.399 0.538 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4cnnn4C)C[C@H]32)cn1 ZINC001076476853 756564121 /nfs/dbraw/zinc/56/41/21/756564121.db2.gz FRTXLCVZKXIGJU-WMLDXEAASA-N 1 2 336.399 0.538 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001010829560 756577481 /nfs/dbraw/zinc/57/74/81/756577481.db2.gz HMCDDNTYKMXLBM-ZDUSSCGKSA-N 1 2 329.404 0.953 20 30 ECEDLO C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001076506328 756591003 /nfs/dbraw/zinc/59/10/03/756591003.db2.gz SAOMOWQUYGZENQ-KBPBESRZSA-N 1 2 334.420 0.639 20 30 ECEDLO C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001076506328 756591004 /nfs/dbraw/zinc/59/10/04/756591004.db2.gz SAOMOWQUYGZENQ-KBPBESRZSA-N 1 2 334.420 0.639 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)c1 ZINC001010925485 756674959 /nfs/dbraw/zinc/67/49/59/756674959.db2.gz QSDCQPDUAMBWKP-UHFFFAOYSA-N 1 2 326.360 0.527 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)c1 ZINC001010925485 756674962 /nfs/dbraw/zinc/67/49/62/756674962.db2.gz QSDCQPDUAMBWKP-UHFFFAOYSA-N 1 2 326.360 0.527 20 30 ECEDLO C=CCn1cc(C(=O)NCC[C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)nn1 ZINC001076576083 756688360 /nfs/dbraw/zinc/68/83/60/756688360.db2.gz UXRUTGFKKIOWNV-NSHDSACASA-N 1 2 345.407 0.363 20 30 ECEDLO C=CCn1cc(C(=O)NCC[C@H](C)NC(=O)CCc2c[nH]c[nH+]2)nn1 ZINC001076577245 756690416 /nfs/dbraw/zinc/69/04/16/756690416.db2.gz WDUODMIVUOSOPN-LBPRGKRZSA-N 1 2 345.407 0.445 20 30 ECEDLO C=CCn1cc(C(=O)NCC[C@H](C)NC(=O)CCc2c[nH+]c[nH]2)nn1 ZINC001076577245 756690419 /nfs/dbraw/zinc/69/04/19/756690419.db2.gz WDUODMIVUOSOPN-LBPRGKRZSA-N 1 2 345.407 0.445 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC001014331033 762500673 /nfs/dbraw/zinc/50/06/73/762500673.db2.gz RXBOILQIFVEHEC-MAUKXSAKSA-N 1 2 326.400 0.936 20 30 ECEDLO O=C(C#CC1CC1)N1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001011110582 756940512 /nfs/dbraw/zinc/94/05/12/756940512.db2.gz GGPBESFLVLZKEA-HNNXBMFYSA-N 1 2 326.400 0.530 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001048769934 756942120 /nfs/dbraw/zinc/94/21/20/756942120.db2.gz WEARBQZUZJXKJF-DEYYWGMASA-N 1 2 348.447 0.975 20 30 ECEDLO N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2[nH]cc[nH+]2)c[nH]1 ZINC000996121042 756988217 /nfs/dbraw/zinc/98/82/17/756988217.db2.gz QLRCHJCJCIBPRB-RDBSUJKOSA-N 1 2 338.371 0.714 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCC(=O)NCC)nn2)C1 ZINC001107142486 757010709 /nfs/dbraw/zinc/01/07/09/757010709.db2.gz GXKRHCIAYVOUGX-UHFFFAOYSA-N 1 2 334.424 0.243 20 30 ECEDLO C=CCOCC(=O)NCc1cn(C2C[NH+](C[C@@H]3CC[C@@H](C)O3)C2)nn1 ZINC001107147434 757046056 /nfs/dbraw/zinc/04/60/56/757046056.db2.gz ZUTZOLRVQPDEPN-CJNGLKHVSA-N 1 2 349.435 0.521 20 30 ECEDLO C[C@@H](C#N)C(=O)NCc1cn(C2C[NH+](C[C@H]3CCCCO3)C2)nn1 ZINC001107149837 757052736 /nfs/dbraw/zinc/05/27/36/757052736.db2.gz SBNOICULPOFBHV-SWLSCSKDSA-N 1 2 332.408 0.480 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)C3CC(C)C3)nn2)C1 ZINC001107153209 757115516 /nfs/dbraw/zinc/11/55/16/757115516.db2.gz XUFLDTYPYSLRET-UHFFFAOYSA-N 1 2 333.436 1.000 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)cc1F ZINC001076792475 757139082 /nfs/dbraw/zinc/13/90/82/757139082.db2.gz WHWSUKPFBJUNEB-NUEKZKHPSA-N 1 2 333.363 0.395 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)cc1F ZINC001076792475 757139087 /nfs/dbraw/zinc/13/90/87/757139087.db2.gz WHWSUKPFBJUNEB-NUEKZKHPSA-N 1 2 333.363 0.395 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3coc(C)n3)nn2)C1 ZINC001107160757 757183930 /nfs/dbraw/zinc/18/39/30/757183930.db2.gz IJELVWUAPMKUFQ-UHFFFAOYSA-N 1 2 346.391 0.564 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001011205799 757186030 /nfs/dbraw/zinc/18/60/30/757186030.db2.gz ZOHDJLPUPDVGOE-CVEARBPZSA-N 1 2 346.431 0.994 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001011205799 757186036 /nfs/dbraw/zinc/18/60/36/757186036.db2.gz ZOHDJLPUPDVGOE-CVEARBPZSA-N 1 2 346.431 0.994 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCn3ccnn3)nn2)C1 ZINC001107162459 757189190 /nfs/dbraw/zinc/18/91/90/757189190.db2.gz LGLRRFZFCLWVAQ-UHFFFAOYSA-N 1 2 330.396 0.009 20 30 ECEDLO C#CCCCCC(=O)NCc1cn(C2C[NH+](CCOCC)C2)nn1 ZINC001107162745 757194910 /nfs/dbraw/zinc/19/49/10/757194910.db2.gz RELAISFXZHEMJU-UHFFFAOYSA-N 1 2 333.436 0.981 20 30 ECEDLO CCCCOCC[NH+]1CC(n2cc(CNC(=O)C#CC3CC3)nn2)C1 ZINC001107171178 757217532 /nfs/dbraw/zinc/21/75/32/757217532.db2.gz LOKVASQYWLHUOF-UHFFFAOYSA-N 1 2 345.447 0.981 20 30 ECEDLO C=CCC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001048866515 757228684 /nfs/dbraw/zinc/22/86/84/757228684.db2.gz RWBBSEHOXNKEHY-KBPBESRZSA-N 1 2 334.420 0.585 20 30 ECEDLO C=C(Cl)CN1CC(n2cc(CNC(=O)CCc3c[nH]c[nH+]3)nn2)C1 ZINC001107178243 757333673 /nfs/dbraw/zinc/33/36/73/757333673.db2.gz OBWCCICOXFQGQN-UHFFFAOYSA-N 1 2 349.826 0.859 20 30 ECEDLO C=C(Cl)CN1CC(n2cc(CNC(=O)CCc3c[nH+]c[nH]3)nn2)C1 ZINC001107178243 757333686 /nfs/dbraw/zinc/33/36/86/757333686.db2.gz OBWCCICOXFQGQN-UHFFFAOYSA-N 1 2 349.826 0.859 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001048916225 757399561 /nfs/dbraw/zinc/39/95/61/757399561.db2.gz GDRNBRGJMLSTLB-KBMXLJTQSA-N 1 2 346.431 0.278 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001048916225 757399565 /nfs/dbraw/zinc/39/95/65/757399565.db2.gz GDRNBRGJMLSTLB-KBMXLJTQSA-N 1 2 346.431 0.278 20 30 ECEDLO C=CCn1cccc1C(=O)N1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001011281788 757399975 /nfs/dbraw/zinc/39/99/75/757399975.db2.gz HPVQLUKSGNODSX-UHFFFAOYSA-N 1 2 327.388 0.924 20 30 ECEDLO C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1O ZINC001048937298 757462525 /nfs/dbraw/zinc/46/25/25/757462525.db2.gz DPTSCIBBGZBJQK-GJZGRUSLSA-N 1 2 334.420 0.647 20 30 ECEDLO COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001076906165 757558763 /nfs/dbraw/zinc/55/87/63/757558763.db2.gz PHCNRDVXMXFXJJ-HUUCEWRRSA-N 1 2 341.371 0.265 20 30 ECEDLO COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001076906165 757558768 /nfs/dbraw/zinc/55/87/68/757558768.db2.gz PHCNRDVXMXFXJJ-HUUCEWRRSA-N 1 2 341.371 0.265 20 30 ECEDLO Cc1cnc([C@H](C)[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cn1 ZINC001076907472 757564804 /nfs/dbraw/zinc/56/48/04/757564804.db2.gz QCWXMLNQSPLHOD-IUIKQTSFSA-N 1 2 340.387 0.521 20 30 ECEDLO Cc1cnc([C@H](C)[N@H+]2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cn1 ZINC001076907472 757564813 /nfs/dbraw/zinc/56/48/13/757564813.db2.gz QCWXMLNQSPLHOD-IUIKQTSFSA-N 1 2 340.387 0.521 20 30 ECEDLO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001049019889 757713680 /nfs/dbraw/zinc/71/36/80/757713680.db2.gz WGTOHIWUNXLKAA-KKUMJFAQSA-N 1 2 346.431 0.442 20 30 ECEDLO C#CCCCC(=O)N1CC[C@@H](n2cc(C[NH2+]CC(=O)N(C)C)nn2)C1 ZINC001098667378 757827280 /nfs/dbraw/zinc/82/72/80/757827280.db2.gz YKHIGLIEVJXXKZ-OAHLLOKOSA-N 1 2 346.435 0.033 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)COc3cccnc3)nn2)C1 ZINC001107221192 757857843 /nfs/dbraw/zinc/85/78/43/757857843.db2.gz LOFLEDINKAIVMM-UHFFFAOYSA-N 1 2 340.387 0.248 20 30 ECEDLO C=C(Cl)CN1CC(n2cc(CNC(=O)Cc3[nH]cc[nH+]3)nn2)C1 ZINC001107221522 757861707 /nfs/dbraw/zinc/86/17/07/757861707.db2.gz ATLLETMOMIFBNN-UHFFFAOYSA-N 1 2 335.799 0.469 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C)[nH]3)C[C@@H]2C1 ZINC001049067955 757865245 /nfs/dbraw/zinc/86/52/45/757865245.db2.gz GUCSEYOKPFREIH-BARDWOONSA-N 1 2 331.420 0.594 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C)[nH]3)C[C@@H]2C1 ZINC001049067955 757865249 /nfs/dbraw/zinc/86/52/49/757865249.db2.gz GUCSEYOKPFREIH-BARDWOONSA-N 1 2 331.420 0.594 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@H]3CCO[C@H]3C)nn2)C1 ZINC001107222825 757891687 /nfs/dbraw/zinc/89/16/87/757891687.db2.gz RLKHFDDCPYZMBJ-BBRMVZONSA-N 1 2 349.435 0.379 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)COC[C@@H]3CCCO3)nn2)C1 ZINC001107242805 758001458 /nfs/dbraw/zinc/00/14/58/758001458.db2.gz ZNJIHRGRHSEOPP-HNNXBMFYSA-N 1 2 335.408 0.133 20 30 ECEDLO N#Cc1nccc(NC[C@@H]2CCC[C@@H]2NC(=O)CCn2cc[nH+]c2)n1 ZINC001105686777 758018820 /nfs/dbraw/zinc/01/88/20/758018820.db2.gz OMDIPGWOZJFELT-KBPBESRZSA-N 1 2 339.403 0.754 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](C)OC[C@@H]3CCCO3)nn2)C1 ZINC001107241092 758043554 /nfs/dbraw/zinc/04/35/54/758043554.db2.gz MHPFQYBQZOGMLV-BBRMVZONSA-N 1 2 349.435 0.521 20 30 ECEDLO CCc1nc(C#N)cc(NC/C=C/CNC(=O)Cc2c[nH+]cn2C)n1 ZINC001107262778 758094049 /nfs/dbraw/zinc/09/40/49/758094049.db2.gz HQSQAIBXJYUGOS-SNAWJCMRSA-N 1 2 339.403 0.971 20 30 ECEDLO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001049153386 758146488 /nfs/dbraw/zinc/14/64/88/758146488.db2.gz XYSCXRPRKSIARU-GJZGRUSLSA-N 1 2 332.404 0.094 20 30 ECEDLO C[C@@H](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)NC(=O)CSCC#N ZINC001077104240 758189237 /nfs/dbraw/zinc/18/92/37/758189237.db2.gz UOGTYLWELBVXFI-QWHCGFSZSA-N 1 2 349.460 0.713 20 30 ECEDLO C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1O ZINC001049176309 758228641 /nfs/dbraw/zinc/22/86/41/758228641.db2.gz NBWNTNQDIJZDGH-GJZGRUSLSA-N 1 2 348.447 0.595 20 30 ECEDLO C[C@H]1[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001011660765 758232433 /nfs/dbraw/zinc/23/24/33/758232433.db2.gz CZJOKBFKJKQDMU-CMPLNLGQSA-N 1 2 326.360 0.571 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001077140320 758325022 /nfs/dbraw/zinc/32/50/22/758325022.db2.gz JCPUSXCRYWZJJW-BFHYXJOUSA-N 1 2 332.404 0.564 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001077140320 758325031 /nfs/dbraw/zinc/32/50/31/758325031.db2.gz JCPUSXCRYWZJJW-BFHYXJOUSA-N 1 2 332.404 0.564 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC/C=C\CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001107346184 758358127 /nfs/dbraw/zinc/35/81/27/758358127.db2.gz MQSFYNCMNNWUEL-QDZRJHCZSA-N 1 2 332.408 0.369 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC/C=C\CNc1[nH+]cnc2c1cnn2C ZINC001107346078 758358304 /nfs/dbraw/zinc/35/83/04/758358304.db2.gz LURFBQOECRIJRS-FOQNGQEVSA-N 1 2 328.376 0.486 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2csc(C)n2)C[C@H]1O ZINC001077158961 758376868 /nfs/dbraw/zinc/37/68/68/758376868.db2.gz HCIHKKBCFJQQEP-OWCLPIDISA-N 1 2 348.472 0.210 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2csc(C)n2)C[C@H]1O ZINC001077158961 758376874 /nfs/dbraw/zinc/37/68/74/758376874.db2.gz HCIHKKBCFJQQEP-OWCLPIDISA-N 1 2 348.472 0.210 20 30 ECEDLO N#Cc1cncc(NC/C=C\CNC(=O)[C@H]2CCn3c[nH+]cc3C2)n1 ZINC001107389374 758415033 /nfs/dbraw/zinc/41/50/33/758415033.db2.gz JPZQLKYXTQBEQP-FYDYADQUSA-N 1 2 337.387 0.892 20 30 ECEDLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001077186125 758446722 /nfs/dbraw/zinc/44/67/22/758446722.db2.gz IBFMAHZJEBPKDW-VXGBXAGGSA-N 1 2 347.400 0.332 20 30 ECEDLO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001077186125 758446726 /nfs/dbraw/zinc/44/67/26/758446726.db2.gz IBFMAHZJEBPKDW-VXGBXAGGSA-N 1 2 347.400 0.332 20 30 ECEDLO N#Cc1nccc(NC/C=C\CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)n1 ZINC001107394669 758451072 /nfs/dbraw/zinc/45/10/72/758451072.db2.gz NXKYINNXHUPZKQ-UIIMQBOASA-N 1 2 337.387 0.314 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1O ZINC001049268656 758460886 /nfs/dbraw/zinc/46/08/86/758460886.db2.gz QSYTUQXICZVGPB-ILXRZTDVSA-N 1 2 348.447 0.975 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H]2C)nn1 ZINC001011761052 758507712 /nfs/dbraw/zinc/50/77/12/758507712.db2.gz JFCVZIHPSIVOOK-RYUDHWBXSA-N 1 2 343.391 0.149 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC001049449428 758721207 /nfs/dbraw/zinc/72/12/07/758721207.db2.gz HEAKIXFDBGGSIG-ZQIUZPCESA-N 1 2 334.420 0.516 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N(C)[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1O ZINC001049449349 758721454 /nfs/dbraw/zinc/72/14/54/758721454.db2.gz DSARJEUIRNBILV-RLFYNMQTSA-N 1 2 348.447 0.893 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N(C)[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1O ZINC001049450445 758725839 /nfs/dbraw/zinc/72/58/39/758725839.db2.gz XNNORVCJPYQFKZ-RLFYNMQTSA-N 1 2 348.447 0.975 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N(C)[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1O ZINC001049450445 758725848 /nfs/dbraw/zinc/72/58/48/758725848.db2.gz XNNORVCJPYQFKZ-RLFYNMQTSA-N 1 2 348.447 0.975 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001011849418 758754970 /nfs/dbraw/zinc/75/49/70/758754970.db2.gz BRFGEVHAKXZGEO-AAEUAGOBSA-N 1 2 326.360 0.502 20 30 ECEDLO N#Cc1cnc(N2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)cn1 ZINC001049701481 759113890 /nfs/dbraw/zinc/11/38/90/759113890.db2.gz LVRYJQMYHWMVIJ-OLZOCXBDSA-N 1 2 337.387 0.599 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001012008682 759188194 /nfs/dbraw/zinc/18/81/94/759188194.db2.gz OWPNNFJOXFNTIY-CMPLNLGQSA-N 1 2 326.360 0.571 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC001049839777 759279354 /nfs/dbraw/zinc/27/93/54/759279354.db2.gz JYGUVIFNRXTEGV-KBRIMQKVSA-N 1 2 327.432 0.998 20 30 ECEDLO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC001049839777 759279359 /nfs/dbraw/zinc/27/93/59/759279359.db2.gz JYGUVIFNRXTEGV-KBRIMQKVSA-N 1 2 327.432 0.998 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC001049839777 759279363 /nfs/dbraw/zinc/27/93/63/759279363.db2.gz JYGUVIFNRXTEGV-KBRIMQKVSA-N 1 2 327.432 0.998 20 30 ECEDLO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC001049839777 759279368 /nfs/dbraw/zinc/27/93/68/759279368.db2.gz JYGUVIFNRXTEGV-KBRIMQKVSA-N 1 2 327.432 0.998 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H]2C)c1 ZINC001012051204 759292781 /nfs/dbraw/zinc/29/27/81/759292781.db2.gz IAZKBNZWVODSNE-WFASDCNBSA-N 1 2 337.383 0.748 20 30 ECEDLO C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001047633915 759358356 /nfs/dbraw/zinc/35/83/56/759358356.db2.gz RLNAEYDMJOOGHZ-IHRRRGAJSA-N 1 2 330.450 0.033 20 30 ECEDLO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001047633915 759358363 /nfs/dbraw/zinc/35/83/63/759358363.db2.gz RLNAEYDMJOOGHZ-IHRRRGAJSA-N 1 2 330.450 0.033 20 30 ECEDLO C#CCNC(=O)CC(=O)N1CCC(OC2C[NH+](CC=C(C)C)C2)CC1 ZINC001105703967 759522368 /nfs/dbraw/zinc/52/23/68/759522368.db2.gz NBKYHMXOIZQTMD-UHFFFAOYSA-N 1 2 347.459 0.784 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001012328229 759723559 /nfs/dbraw/zinc/72/35/59/759723559.db2.gz QBBLAFMVMFLPCC-ZDUSSCGKSA-N 1 2 338.371 0.711 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)[C@@H]2C1 ZINC001050166361 759842651 /nfs/dbraw/zinc/84/26/51/759842651.db2.gz SUQFDCSFJRWONN-GXTWGEPZSA-N 1 2 342.403 0.180 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)[C@@H]2C1 ZINC001050166361 759842660 /nfs/dbraw/zinc/84/26/60/759842660.db2.gz SUQFDCSFJRWONN-GXTWGEPZSA-N 1 2 342.403 0.180 20 30 ECEDLO NC(=O)c1ccnc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)c1 ZINC001032233807 760000079 /nfs/dbraw/zinc/00/00/79/760000079.db2.gz YBVKUXYSSVXRAJ-UHFFFAOYSA-N 1 2 348.406 0.894 20 30 ECEDLO C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](CNc2ccnc(C#N)n2)C1 ZINC001048187779 760051346 /nfs/dbraw/zinc/05/13/46/760051346.db2.gz WXHBISJWEAHQDP-KGLIPLIRSA-N 1 2 339.403 0.706 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001012491016 760078146 /nfs/dbraw/zinc/07/81/46/760078146.db2.gz XXCRZEJBVWYERJ-JQWIXIFHSA-N 1 2 326.360 0.571 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3cc(C)ccc3O2)[C@@H](O)C1 ZINC001083642088 760207999 /nfs/dbraw/zinc/20/79/99/760207999.db2.gz PIYMNJKAULHZJK-RYRKJORJSA-N 1 2 328.412 0.873 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3cc(C)ccc3O2)[C@@H](O)C1 ZINC001083642088 760208006 /nfs/dbraw/zinc/20/80/06/760208006.db2.gz PIYMNJKAULHZJK-RYRKJORJSA-N 1 2 328.412 0.873 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[NH+](Cc1nnnn1C1CC1)CC2 ZINC001050460921 760301931 /nfs/dbraw/zinc/30/19/31/760301931.db2.gz APMQLTCFJZBAIS-LBPRGKRZSA-N 1 2 329.408 0.592 20 30 ECEDLO Cn1nnnc1C[NH+]1CCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)CC1 ZINC001050476971 760331632 /nfs/dbraw/zinc/33/16/32/760331632.db2.gz NYMKLOTZXOYLMD-UHFFFAOYSA-N 1 2 340.391 0.148 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nnc([C@@H]2CCCOC2)o1 ZINC001127046053 760452553 /nfs/dbraw/zinc/45/25/53/760452553.db2.gz KTGSMQDJUDCNRQ-QWHCGFSZSA-N 1 2 336.392 0.208 20 30 ECEDLO C[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2CNc2ccc(C#N)nn2)C1 ZINC001060225617 760501605 /nfs/dbraw/zinc/50/16/05/760501605.db2.gz VTIKDWMLJBUYDO-HUUCEWRRSA-N 1 2 344.419 0.472 20 30 ECEDLO C[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2CNc2ccc(C#N)nn2)C1 ZINC001060225617 760501611 /nfs/dbraw/zinc/50/16/11/760501611.db2.gz VTIKDWMLJBUYDO-HUUCEWRRSA-N 1 2 344.419 0.472 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2csc(-c3ncc[nH]3)n2)[C@@H](O)C1 ZINC001083654140 760611886 /nfs/dbraw/zinc/61/18/86/760611886.db2.gz YAAGVIMWERPIAP-PWSUYJOCSA-N 1 2 331.401 0.331 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2csc(-c3ncc[nH]3)n2)[C@@H](O)C1 ZINC001083654140 760611889 /nfs/dbraw/zinc/61/18/89/760611889.db2.gz YAAGVIMWERPIAP-PWSUYJOCSA-N 1 2 331.401 0.331 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001050722549 760727618 /nfs/dbraw/zinc/72/76/18/760727618.db2.gz WLLJLVBVDLKDKD-CABCVRRESA-N 1 2 332.404 0.276 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NCC[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC001060232941 760735416 /nfs/dbraw/zinc/73/54/16/760735416.db2.gz KNHJXNMCAFAUHC-GFCCVEGCSA-N 1 2 340.387 0.821 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C[C@@H]2CCOC2)C1=O ZINC001017431482 767977463 /nfs/dbraw/zinc/97/74/63/767977463.db2.gz DVSOJUIAFBXHJM-MWDXBVQZSA-N 1 2 347.459 0.875 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C[C@@H]2CCOC2)C1=O ZINC001017431482 767977470 /nfs/dbraw/zinc/97/74/70/767977470.db2.gz DVSOJUIAFBXHJM-MWDXBVQZSA-N 1 2 347.459 0.875 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)C[C@@H]3CCCO3)nn2)C1 ZINC001107137312 760856090 /nfs/dbraw/zinc/85/60/90/760856090.db2.gz SRAMRIHDLMISNI-INIZCTEOSA-N 1 2 349.435 0.523 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)C[C@H]3CCCO3)nn2)C1 ZINC001107137313 760858074 /nfs/dbraw/zinc/85/80/74/760858074.db2.gz SRAMRIHDLMISNI-MRXNPFEDSA-N 1 2 349.435 0.523 20 30 ECEDLO CS(=O)(=O)CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@@H]2C1 ZINC001048707422 760988246 /nfs/dbraw/zinc/98/82/46/760988246.db2.gz GSWJZMCKXOBBGZ-IYBDPMFKSA-N 1 2 347.440 0.493 20 30 ECEDLO CS(=O)(=O)CC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@@H]2C1 ZINC001048707422 760988248 /nfs/dbraw/zinc/98/82/48/760988248.db2.gz GSWJZMCKXOBBGZ-IYBDPMFKSA-N 1 2 347.440 0.493 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2CC[C@@H]2CCCO2)[nH]1 ZINC001050872105 761045907 /nfs/dbraw/zinc/04/59/07/761045907.db2.gz JZFUDESKHRNNBF-CABCVRRESA-N 1 2 332.404 0.886 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2CC[C@@H]2CCCO2)[nH]1 ZINC001050872105 761045919 /nfs/dbraw/zinc/04/59/19/761045919.db2.gz JZFUDESKHRNNBF-CABCVRRESA-N 1 2 332.404 0.886 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001048769446 761148357 /nfs/dbraw/zinc/14/83/57/761148357.db2.gz KCHWSTHLEIXZHM-KBPBESRZSA-N 1 2 332.404 0.032 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001051006465 761324248 /nfs/dbraw/zinc/32/42/48/761324248.db2.gz QUOCHRUMHGJNQV-CYBMUJFWSA-N 1 2 346.387 0.419 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001051006465 761324257 /nfs/dbraw/zinc/32/42/57/761324257.db2.gz QUOCHRUMHGJNQV-CYBMUJFWSA-N 1 2 346.387 0.419 20 30 ECEDLO C=CC[NH+]1CC(OC2CCN(C(=O)COC[C@@H]3CCOC3)CC2)C1 ZINC001105726967 761361134 /nfs/dbraw/zinc/36/11/34/761361134.db2.gz ZJJUHJSAVXHDLM-OAHLLOKOSA-N 1 2 338.448 0.917 20 30 ECEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CCCn3cncn3)CC2)C1 ZINC001105730721 761380236 /nfs/dbraw/zinc/38/02/36/761380236.db2.gz VGHGRNIXJPFLKW-UHFFFAOYSA-N 1 2 333.436 0.936 20 30 ECEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CC(=O)NCC3CC3)CC2)C1 ZINC001105731931 761388789 /nfs/dbraw/zinc/38/87/89/761388789.db2.gz XKIYXOAPHHNLKL-UHFFFAOYSA-N 1 2 335.448 0.781 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001051061772 761420261 /nfs/dbraw/zinc/42/02/61/761420261.db2.gz VKTRRRNBCOBYMZ-GJZGRUSLSA-N 1 2 332.404 0.276 20 30 ECEDLO C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001054551233 768039530 /nfs/dbraw/zinc/03/95/30/768039530.db2.gz SXDUIOQLHQGFHX-GWCFXTLKSA-N 1 2 343.391 0.586 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC001051086876 761464637 /nfs/dbraw/zinc/46/46/37/761464637.db2.gz NXLAOYXHYMVNFL-ZBFHGGJFSA-N 1 2 332.448 0.918 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC001051086876 761464643 /nfs/dbraw/zinc/46/46/43/761464643.db2.gz NXLAOYXHYMVNFL-ZBFHGGJFSA-N 1 2 332.448 0.918 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001051125485 761526670 /nfs/dbraw/zinc/52/66/70/761526670.db2.gz RWNFXJBTEFWVLF-KGLIPLIRSA-N 1 2 334.424 0.019 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001051125485 761526677 /nfs/dbraw/zinc/52/66/77/761526677.db2.gz RWNFXJBTEFWVLF-KGLIPLIRSA-N 1 2 334.424 0.019 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCN1c1cncc(C#N)n1 ZINC001051177490 761622090 /nfs/dbraw/zinc/62/20/90/761622090.db2.gz VGWYUMLTIDRUBE-ZRJCITRHSA-N 1 2 337.387 0.958 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCN1c1cncc(C#N)n1 ZINC001051177490 761622094 /nfs/dbraw/zinc/62/20/94/761622094.db2.gz VGWYUMLTIDRUBE-ZRJCITRHSA-N 1 2 337.387 0.958 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc(-n2cncn2)n1 ZINC001051186298 761643154 /nfs/dbraw/zinc/64/31/54/761643154.db2.gz KUHMWLYASIKULS-AWEZNQCLSA-N 1 2 342.403 0.669 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc(-n2cncn2)n1 ZINC001051186298 761643157 /nfs/dbraw/zinc/64/31/57/761643157.db2.gz KUHMWLYASIKULS-AWEZNQCLSA-N 1 2 342.403 0.669 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc(-n2cncn2)n1 ZINC001051186300 761643177 /nfs/dbraw/zinc/64/31/77/761643177.db2.gz KUHMWLYASIKULS-CQSZACIVSA-N 1 2 342.403 0.669 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cccc(-n2cncn2)n1 ZINC001051186300 761643183 /nfs/dbraw/zinc/64/31/83/761643183.db2.gz KUHMWLYASIKULS-CQSZACIVSA-N 1 2 342.403 0.669 20 30 ECEDLO CC#CCN1CCOC[C@@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001051191757 761655919 /nfs/dbraw/zinc/65/59/19/761655919.db2.gz KZRUBKOTFYIOAK-INIZCTEOSA-N 1 2 339.399 0.721 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001051252867 761769579 /nfs/dbraw/zinc/76/95/79/761769579.db2.gz XGPYULHCWIBFDX-LSDHHAIUSA-N 1 2 346.431 0.356 20 30 ECEDLO C[C@@H](NC(=O)C#CC1CC1)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001051259303 761782588 /nfs/dbraw/zinc/78/25/88/761782588.db2.gz JNOREWVPWKBMCR-UKRRQHHQSA-N 1 2 328.416 0.729 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001060287143 761791123 /nfs/dbraw/zinc/79/11/23/761791123.db2.gz YLQZRVWSCPFRHE-UONOGXRCSA-N 1 2 331.420 0.867 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001051286629 761826569 /nfs/dbraw/zinc/82/65/69/761826569.db2.gz CAUNFWLSXURLOW-JKSUJKDBSA-N 1 2 346.431 0.666 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NC[C@@H](O)CNc1ncc(C#N)cc1Cl ZINC001105914247 762713884 /nfs/dbraw/zinc/71/38/84/762713884.db2.gz RKLXVJWQNMNLTI-GFCCVEGCSA-N 1 2 348.794 0.472 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001017528170 768087235 /nfs/dbraw/zinc/08/72/35/768087235.db2.gz BCJUKCDNEJUOMI-HIFRSBDPSA-N 1 2 341.415 0.880 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001017532218 768088951 /nfs/dbraw/zinc/08/89/51/768088951.db2.gz AGAMOVWDOQPMCO-ZFWWWQNUSA-N 1 2 341.415 0.880 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001014813033 763217777 /nfs/dbraw/zinc/21/77/77/763217777.db2.gz XQIDKCMVOANMIR-HZPDHXFCSA-N 1 2 326.400 0.775 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001014813033 763217784 /nfs/dbraw/zinc/21/77/84/763217784.db2.gz XQIDKCMVOANMIR-HZPDHXFCSA-N 1 2 326.400 0.775 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001014813031 763218533 /nfs/dbraw/zinc/21/85/33/763218533.db2.gz XQIDKCMVOANMIR-CVEARBPZSA-N 1 2 326.400 0.775 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001014813031 763218541 /nfs/dbraw/zinc/21/85/41/763218541.db2.gz XQIDKCMVOANMIR-CVEARBPZSA-N 1 2 326.400 0.775 20 30 ECEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CC[C@@H]3C(N)=O)C2)ccc1F ZINC001031896552 763425014 /nfs/dbraw/zinc/42/50/14/763425014.db2.gz HSZYUVOAXQRCPC-GJZGRUSLSA-N 1 2 344.390 0.757 20 30 ECEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@H]3CC[C@H]3C(N)=O)C2)c1 ZINC001031900107 763453556 /nfs/dbraw/zinc/45/35/56/763453556.db2.gz YYIWIKYKAJYNCF-CABCVRRESA-N 1 2 344.390 0.757 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001046964055 763474537 /nfs/dbraw/zinc/47/45/37/763474537.db2.gz YHHHYTQOARTQPO-QWRGUYRKSA-N 1 2 335.782 0.948 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001046964055 763474542 /nfs/dbraw/zinc/47/45/42/763474542.db2.gz YHHHYTQOARTQPO-QWRGUYRKSA-N 1 2 335.782 0.948 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@H+](CC(=O)NC)CCC1(F)F ZINC001046973716 763493073 /nfs/dbraw/zinc/49/30/73/763493073.db2.gz TVIXUDTXDUCDRF-XQQFMLRXSA-N 1 2 345.390 0.397 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CC(=O)NC)CCC1(F)F ZINC001046973716 763493075 /nfs/dbraw/zinc/49/30/75/763493075.db2.gz TVIXUDTXDUCDRF-XQQFMLRXSA-N 1 2 345.390 0.397 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)Cn3cc(C)cn3)C2)CC1 ZINC001051985995 763518685 /nfs/dbraw/zinc/51/86/85/763518685.db2.gz FGQMYBJICSLXEY-KRWDZBQOSA-N 1 2 329.448 0.433 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(Cc3cnsn3)CC2)C1 ZINC001051997530 763547438 /nfs/dbraw/zinc/54/74/38/763547438.db2.gz CWEGXWLSFDIXHB-JSGCOSHPSA-N 1 2 334.449 0.416 20 30 ECEDLO Cc1conc1CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001051998126 763549791 /nfs/dbraw/zinc/54/97/91/763549791.db2.gz NNASMLVXEKVTJP-ZFWWWQNUSA-N 1 2 331.420 0.861 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(Cc3csnn3)CC2)C1 ZINC001051998026 763550177 /nfs/dbraw/zinc/55/01/77/763550177.db2.gz MRLBZATXVHVGJK-OCCSQVGLSA-N 1 2 334.449 0.416 20 30 ECEDLO Cc1cc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)ncn1 ZINC001051998003 763550523 /nfs/dbraw/zinc/55/05/23/763550523.db2.gz MCJSBNYMFRBCQH-YOEHRIQHSA-N 1 2 342.447 0.663 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCCC)C[C@H]1OC ZINC001212184683 763567272 /nfs/dbraw/zinc/56/72/72/763567272.db2.gz DFHXUQSUOLAKFG-BZUAXINKSA-N 1 2 337.464 0.910 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NCCCC)C[C@H]1OC ZINC001212184683 763567275 /nfs/dbraw/zinc/56/72/75/763567275.db2.gz DFHXUQSUOLAKFG-BZUAXINKSA-N 1 2 337.464 0.910 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)Cc3ccn(C)n3)C2)CC1 ZINC001052025179 763616236 /nfs/dbraw/zinc/61/62/36/763616236.db2.gz ZVDLGLWDPRHTJO-KRWDZBQOSA-N 1 2 329.448 0.204 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)CO[C@@H]3CCOC3)C2)CC1 ZINC001052026797 763619402 /nfs/dbraw/zinc/61/94/02/763619402.db2.gz TVHPSGODQMCFAW-IAGOWNOFSA-N 1 2 337.464 0.587 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001014991442 763626299 /nfs/dbraw/zinc/62/62/99/763626299.db2.gz PMBGJVXFNLFDTI-GHMZBOCLSA-N 1 2 325.800 0.489 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001014991442 763626304 /nfs/dbraw/zinc/62/63/04/763626304.db2.gz PMBGJVXFNLFDTI-GHMZBOCLSA-N 1 2 325.800 0.489 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@@H]3CCN(C)C3=O)C2)CC1 ZINC001052040758 763663682 /nfs/dbraw/zinc/66/36/82/763663682.db2.gz JPLSQVDQOVREMC-IRXDYDNUSA-N 1 2 346.475 0.097 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@]3(CC)CCNC3=O)C2)CC1 ZINC001052041429 763667113 /nfs/dbraw/zinc/66/71/13/763667113.db2.gz HXIZHNVUNJGFJI-QFBILLFUSA-N 1 2 348.491 0.697 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C2)CC1 ZINC001052041648 763667883 /nfs/dbraw/zinc/66/78/83/763667883.db2.gz NZXKXQOANKCCBR-OAHLLOKOSA-N 1 2 345.447 0.189 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn(CCF)c3)C2)CC1 ZINC001052045667 763683377 /nfs/dbraw/zinc/68/33/77/763683377.db2.gz WHYUTLLUOFYZEQ-HNNXBMFYSA-N 1 2 334.399 0.208 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCN(C)C(=O)C3)C2)CC1 ZINC001052045644 763683550 /nfs/dbraw/zinc/68/35/50/763683550.db2.gz VRUYWYASSXNGAX-DLBZAZTESA-N 1 2 348.491 0.649 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001212185578 763686264 /nfs/dbraw/zinc/68/62/64/763686264.db2.gz YCGARCINLMNVHF-ARFHVFGLSA-N 1 2 337.464 0.766 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1OC ZINC001212185578 763686269 /nfs/dbraw/zinc/68/62/69/763686269.db2.gz YCGARCINLMNVHF-ARFHVFGLSA-N 1 2 337.464 0.766 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(OC)nc3)C2)CC1 ZINC001052047569 763691284 /nfs/dbraw/zinc/69/12/84/763691284.db2.gz RAXVDQPORMNOBP-MRXNPFEDSA-N 1 2 328.416 0.556 20 30 ECEDLO N#Cc1ccc(NC[C@H](O)CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cn1 ZINC001106016768 763700875 /nfs/dbraw/zinc/70/08/75/763700875.db2.gz XBPFXAPCEVXNLX-WFASDCNBSA-N 1 2 340.387 0.301 20 30 ECEDLO N#Cc1cccnc1NC[C@@H](O)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001106016098 763717625 /nfs/dbraw/zinc/71/76/25/763717625.db2.gz NVMWFHOQPLZXER-TZMCWYRMSA-N 1 2 340.387 0.301 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001054681167 768157567 /nfs/dbraw/zinc/15/75/67/768157567.db2.gz QLZFLKBISBZINK-MWLCHTKSSA-N 1 2 326.832 0.925 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(CC)nnc3C)C2)CC1 ZINC001052056018 763725754 /nfs/dbraw/zinc/72/57/54/763725754.db2.gz CRBZGESJSWBAIQ-KRWDZBQOSA-N 1 2 341.459 0.813 20 30 ECEDLO N#Cc1cccnc1NC[C@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC001106017802 763726257 /nfs/dbraw/zinc/72/62/57/763726257.db2.gz OMDBQWVAHQKDHT-ZDUSSCGKSA-N 1 2 336.355 0.804 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)CC3)C2)CC1 ZINC001052057741 763732382 /nfs/dbraw/zinc/73/23/82/763732382.db2.gz SEQFUAFFIVFYPL-DLBZAZTESA-N 1 2 346.475 0.145 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c(C)nn(C)c3C)C2)CC1 ZINC001052059895 763738130 /nfs/dbraw/zinc/73/81/30/763738130.db2.gz SCIALOMPPARKEY-QGZVFWFLSA-N 1 2 343.475 0.892 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)CC1 ZINC001052073705 763778279 /nfs/dbraw/zinc/77/82/79/763778279.db2.gz MVSCCFBAODFWQC-ZDUSSCGKSA-N 1 2 340.855 0.223 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@H]([NH+]3CCN([C@H](C)C(N)=O)CC3)C2)C1 ZINC001052081403 763799335 /nfs/dbraw/zinc/79/93/35/763799335.db2.gz MFJMGEJTJQCNHJ-CABCVRRESA-N 1 2 334.464 0.435 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)nn1 ZINC001052096628 763847969 /nfs/dbraw/zinc/84/79/69/763847969.db2.gz NLSUVXQYVDMBRJ-OAHLLOKOSA-N 1 2 343.435 0.210 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc4nccn4c3)C2)CC1 ZINC001052105608 763877407 /nfs/dbraw/zinc/87/74/07/763877407.db2.gz MLVDASKXRAREFF-INIZCTEOSA-N 1 2 338.415 0.690 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(N(C)C)nn3)C2)CC1 ZINC001052108899 763893018 /nfs/dbraw/zinc/89/30/18/763893018.db2.gz RWEXYJINARSODA-HNNXBMFYSA-N 1 2 342.447 0.008 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccn(C)c3=O)C2)CC1 ZINC001052110581 763900599 /nfs/dbraw/zinc/90/05/99/763900599.db2.gz SZYKDWLGPYFFKZ-MRXNPFEDSA-N 1 2 342.443 0.241 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCN(C(C)=O)C3)C2)CC1 ZINC001052112852 763909640 /nfs/dbraw/zinc/90/96/40/763909640.db2.gz GFRKJOVKMFMYCW-ZWKOTPCHSA-N 1 2 346.475 0.097 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c(C)nn(C)c3F)C2)CC1 ZINC001052113073 763911011 /nfs/dbraw/zinc/91/10/11/763911011.db2.gz LTPGBMQGRQBOIA-HNNXBMFYSA-N 1 2 347.438 0.723 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)C3CCN(C(C)=O)CC3)C2)CC1 ZINC001052116947 763925599 /nfs/dbraw/zinc/92/55/99/763925599.db2.gz BUUXKLHYQZSSII-SFHVURJKSA-N 1 2 346.475 0.097 20 30 ECEDLO C=CCN1CC[C@@H](N2CC(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1=O ZINC001030555316 763936879 /nfs/dbraw/zinc/93/68/79/763936879.db2.gz UYFLMJYXMUJHLL-UKRRQHHQSA-N 1 2 343.431 0.033 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)c3cn(C)c(=O)n3C)C2)CC1 ZINC001052121670 763943447 /nfs/dbraw/zinc/94/34/47/763943447.db2.gz GOAJSFWRYAIWDJ-OAHLLOKOSA-N 1 2 347.463 0.132 20 30 ECEDLO Cc1cc(C)n([C@@H](C)C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052122071 763944917 /nfs/dbraw/zinc/94/49/17/763944917.db2.gz MWGMCOAFNAUZGO-DLBZAZTESA-N 1 2 344.463 0.803 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)c3cnn(C)c3)C2)CC1 ZINC001052123903 763951759 /nfs/dbraw/zinc/95/17/59/763951759.db2.gz SUDKNSJOARJCRF-WMZOPIPTSA-N 1 2 343.475 0.765 20 30 ECEDLO Cc1c[nH]nc1C(=O)N(C)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047373552 764146346 /nfs/dbraw/zinc/14/63/46/764146346.db2.gz WWRXKYWUGXYDRI-KBPBESRZSA-N 1 2 345.428 0.969 20 30 ECEDLO Cc1c[nH]nc1C(=O)N(C)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047373552 764146354 /nfs/dbraw/zinc/14/63/54/764146354.db2.gz WWRXKYWUGXYDRI-KBPBESRZSA-N 1 2 345.428 0.969 20 30 ECEDLO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001127327776 768194497 /nfs/dbraw/zinc/19/44/97/768194497.db2.gz WOQRBEWELWIFKH-ZDUSSCGKSA-N 1 2 346.435 0.298 20 30 ECEDLO C=CCn1cc(C(=O)NCC2C[NH+](Cc3cnc(C)cn3)C2)nn1 ZINC001032035110 764227437 /nfs/dbraw/zinc/22/74/37/764227437.db2.gz NQIIIQZBLWBEKX-UHFFFAOYSA-N 1 2 327.392 0.424 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NC[C@H](O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106066343 764274766 /nfs/dbraw/zinc/27/47/66/764274766.db2.gz BYYFJIGISDCRTR-AAEUAGOBSA-N 1 2 336.440 0.737 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001015288755 764312779 /nfs/dbraw/zinc/31/27/79/764312779.db2.gz FYCYIVYUDPXDRX-LBPRGKRZSA-N 1 2 335.857 0.355 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)C1 ZINC001015288755 764312788 /nfs/dbraw/zinc/31/27/88/764312788.db2.gz FYCYIVYUDPXDRX-LBPRGKRZSA-N 1 2 335.857 0.355 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3ccccc3c2O)C1 ZINC001047441928 764358649 /nfs/dbraw/zinc/35/86/49/764358649.db2.gz VPEFORCRBLCTPO-IRXDYDNUSA-N 1 2 339.395 0.669 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3ccccc3c2O)C1 ZINC001047441928 764358653 /nfs/dbraw/zinc/35/86/53/764358653.db2.gz VPEFORCRBLCTPO-IRXDYDNUSA-N 1 2 339.395 0.669 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(-c3cccnc3)n2)C1 ZINC001047445108 764368099 /nfs/dbraw/zinc/36/80/99/764368099.db2.gz PCPYEYPWZMIBDI-GJZGRUSLSA-N 1 2 326.356 0.487 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2coc(-c3cccnc3)n2)C1 ZINC001047445108 764368103 /nfs/dbraw/zinc/36/81/03/764368103.db2.gz PCPYEYPWZMIBDI-GJZGRUSLSA-N 1 2 326.356 0.487 20 30 ECEDLO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001052390146 764393854 /nfs/dbraw/zinc/39/38/54/764393854.db2.gz BKVHLESTORIKFS-OCCSQVGLSA-N 1 2 340.387 0.607 20 30 ECEDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CN(CC#N)C[C@@H]1O ZINC001047472961 764441947 /nfs/dbraw/zinc/44/19/47/764441947.db2.gz IWEMOEOYWCYJAF-HOTGVXAUSA-N 1 2 325.372 0.513 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@H+]([C@H](CC)C(N)=O)C[C@@H]2O)cc1 ZINC001047479891 764468593 /nfs/dbraw/zinc/46/85/93/764468593.db2.gz DCIMICNPGPUZTO-PMPSAXMXSA-N 1 2 329.400 0.049 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+]([C@H](CC)C(N)=O)C[C@@H]2O)cc1 ZINC001047479891 764468595 /nfs/dbraw/zinc/46/85/95/764468595.db2.gz DCIMICNPGPUZTO-PMPSAXMXSA-N 1 2 329.400 0.049 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)C3CC3)C2)C1=O ZINC001047493808 764501306 /nfs/dbraw/zinc/50/13/06/764501306.db2.gz WUHAOXJGEBRXNN-PMPSAXMXSA-N 1 2 349.475 0.713 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)C3CC3)C2)C1=O ZINC001047493808 764501311 /nfs/dbraw/zinc/50/13/11/764501311.db2.gz WUHAOXJGEBRXNN-PMPSAXMXSA-N 1 2 349.475 0.713 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@H]1CCC[N@@H+](Cc2nnnn2C)CC1 ZINC001052448110 764519179 /nfs/dbraw/zinc/51/91/79/764519179.db2.gz UPSRORMRJFYZJF-AWEZNQCLSA-N 1 2 343.435 0.982 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@H]1CCC[N@H+](Cc2nnnn2C)CC1 ZINC001052448110 764519182 /nfs/dbraw/zinc/51/91/82/764519182.db2.gz UPSRORMRJFYZJF-AWEZNQCLSA-N 1 2 343.435 0.982 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2-c2cnn(C)c2)C1 ZINC001047501571 764527925 /nfs/dbraw/zinc/52/79/25/764527925.db2.gz QSIJXCHDWZOHEV-GJZGRUSLSA-N 1 2 328.372 0.430 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2-c2cnn(C)c2)C1 ZINC001047501571 764527934 /nfs/dbraw/zinc/52/79/34/764527934.db2.gz QSIJXCHDWZOHEV-GJZGRUSLSA-N 1 2 328.372 0.430 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3coc(OC)n3)C2)C1=O ZINC001015412230 764563304 /nfs/dbraw/zinc/56/33/04/764563304.db2.gz JSDDKZUBADUYGW-AAEUAGOBSA-N 1 2 334.376 0.274 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3coc(OC)n3)C2)C1=O ZINC001015412230 764563308 /nfs/dbraw/zinc/56/33/08/764563308.db2.gz JSDDKZUBADUYGW-AAEUAGOBSA-N 1 2 334.376 0.274 20 30 ECEDLO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@H+]([C@H]3CCN(CC)C3=O)C[C@@H]2O)C1 ZINC001047519621 764574052 /nfs/dbraw/zinc/57/40/52/764574052.db2.gz JKBSFDHUNARLOS-KKUMJFAQSA-N 1 2 335.448 0.467 20 30 ECEDLO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@@H+]([C@H]3CCN(CC)C3=O)C[C@@H]2O)C1 ZINC001047519621 764574055 /nfs/dbraw/zinc/57/40/55/764574055.db2.gz JKBSFDHUNARLOS-KKUMJFAQSA-N 1 2 335.448 0.467 20 30 ECEDLO CN(C(=O)c1ccnnc1)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047541813 764640011 /nfs/dbraw/zinc/64/00/11/764640011.db2.gz FAEWCGHLTSKCSA-ROUUACIJSA-N 1 2 336.395 0.645 20 30 ECEDLO CN(C(=O)c1ccnnc1)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047541813 764640018 /nfs/dbraw/zinc/64/00/18/764640018.db2.gz FAEWCGHLTSKCSA-ROUUACIJSA-N 1 2 336.395 0.645 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NC[C@@H](O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106079809 764686842 /nfs/dbraw/zinc/68/68/42/764686842.db2.gz CCFVKEFEVLFVJI-MLGOLLRUSA-N 1 2 336.440 0.737 20 30 ECEDLO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001052550283 764740223 /nfs/dbraw/zinc/74/02/23/764740223.db2.gz ZTDPNNIEGIAERC-HIFRSBDPSA-N 1 2 328.416 0.966 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)[C@H]1C ZINC001089014733 764758262 /nfs/dbraw/zinc/75/82/62/764758262.db2.gz LAOCUAVVQXBWKW-XBFCOCLRSA-N 1 2 329.828 0.565 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)[C@H]1C ZINC001089014733 764758265 /nfs/dbraw/zinc/75/82/65/764758265.db2.gz LAOCUAVVQXBWKW-XBFCOCLRSA-N 1 2 329.828 0.565 20 30 ECEDLO O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ccn2nnnc2c1 ZINC001015497824 764803760 /nfs/dbraw/zinc/80/37/60/764803760.db2.gz HAJWSXPLUQVNSF-KRWDZBQOSA-N 1 2 346.394 0.980 20 30 ECEDLO O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ccn2nnnc2c1 ZINC001015497824 764803770 /nfs/dbraw/zinc/80/37/70/764803770.db2.gz HAJWSXPLUQVNSF-KRWDZBQOSA-N 1 2 346.394 0.980 20 30 ECEDLO C#CCOCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001052597744 764824129 /nfs/dbraw/zinc/82/41/29/764824129.db2.gz ATAOFWNWTUZHCD-KGLIPLIRSA-N 1 2 332.404 0.203 20 30 ECEDLO C#CCOCCC(=O)N1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001052598752 764827445 /nfs/dbraw/zinc/82/74/45/764827445.db2.gz IUIOHPNRQGODHY-UKRRQHHQSA-N 1 2 346.431 0.511 20 30 ECEDLO C#CCOCCC(=O)N1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001052600253 764832514 /nfs/dbraw/zinc/83/25/14/764832514.db2.gz VHGAWKAPPWZMSB-HUUCEWRRSA-N 1 2 346.431 0.213 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)c1 ZINC001015512804 764843364 /nfs/dbraw/zinc/84/33/64/764843364.db2.gz WNNIIGUSAVYAJA-KGLIPLIRSA-N 1 2 330.363 0.524 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCNC3=O)C2)c1 ZINC001015512804 764843377 /nfs/dbraw/zinc/84/33/77/764843377.db2.gz WNNIIGUSAVYAJA-KGLIPLIRSA-N 1 2 330.363 0.524 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)C(C)(C)C)C2)nn1 ZINC001098773579 764896974 /nfs/dbraw/zinc/89/69/74/764896974.db2.gz GDTBCKJENWPVJE-AWEZNQCLSA-N 1 2 348.451 0.489 20 30 ECEDLO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)n1 ZINC001015550465 764937740 /nfs/dbraw/zinc/93/77/40/764937740.db2.gz SNCZIWWIQAODQT-CQSZACIVSA-N 1 2 344.806 0.719 20 30 ECEDLO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)n1 ZINC001015550465 764937741 /nfs/dbraw/zinc/93/77/41/764937741.db2.gz SNCZIWWIQAODQT-CQSZACIVSA-N 1 2 344.806 0.719 20 30 ECEDLO Cn1nnc(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)n1 ZINC001015550459 764937788 /nfs/dbraw/zinc/93/77/88/764937788.db2.gz SNCZIWWIQAODQT-AWEZNQCLSA-N 1 2 344.806 0.719 20 30 ECEDLO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)n1 ZINC001015550459 764937794 /nfs/dbraw/zinc/93/77/94/764937794.db2.gz SNCZIWWIQAODQT-AWEZNQCLSA-N 1 2 344.806 0.719 20 30 ECEDLO Cn1nnc(C(=O)N[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)n1 ZINC001015554025 764949644 /nfs/dbraw/zinc/94/96/44/764949644.db2.gz KEXRWBOMMLBPMP-AWEZNQCLSA-N 1 2 344.806 0.719 20 30 ECEDLO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)n1 ZINC001015554025 764949655 /nfs/dbraw/zinc/94/96/55/764949655.db2.gz KEXRWBOMMLBPMP-AWEZNQCLSA-N 1 2 344.806 0.719 20 30 ECEDLO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001015554591 764952107 /nfs/dbraw/zinc/95/21/07/764952107.db2.gz OKDFIUAIMSRLSY-GFCCVEGCSA-N 1 2 329.339 0.225 20 30 ECEDLO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001015554591 764952112 /nfs/dbraw/zinc/95/21/12/764952112.db2.gz OKDFIUAIMSRLSY-GFCCVEGCSA-N 1 2 329.339 0.225 20 30 ECEDLO CN1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)C1=O ZINC001015565076 764972885 /nfs/dbraw/zinc/97/28/85/764972885.db2.gz YELYXCPDYBGHLI-CVEARBPZSA-N 1 2 326.400 0.727 20 30 ECEDLO CN1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1=O ZINC001015565076 764972892 /nfs/dbraw/zinc/97/28/92/764972892.db2.gz YELYXCPDYBGHLI-CVEARBPZSA-N 1 2 326.400 0.727 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC001015591959 765020590 /nfs/dbraw/zinc/02/05/90/765020590.db2.gz SLCBIBGZXHUZSC-DGCLKSJQSA-N 1 2 340.387 0.867 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001015697641 765183418 /nfs/dbraw/zinc/18/34/18/765183418.db2.gz XXMSRXFKMKMGGA-HRCADAONSA-N 1 2 342.399 0.282 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001015697641 765183420 /nfs/dbraw/zinc/18/34/20/765183420.db2.gz XXMSRXFKMKMGGA-HRCADAONSA-N 1 2 342.399 0.282 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000992032806 765222879 /nfs/dbraw/zinc/22/28/79/765222879.db2.gz TXKQAVVUUILZMK-RDJZCZTQSA-N 1 2 346.431 0.661 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2c(C)nnn2CC)C1 ZINC001015722306 765240229 /nfs/dbraw/zinc/24/02/29/765240229.db2.gz YQYWZOKMCBZBNX-LZWOXQAQSA-N 1 2 333.436 0.888 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2c(C)nnn2CC)C1 ZINC001015722306 765240236 /nfs/dbraw/zinc/24/02/36/765240236.db2.gz YQYWZOKMCBZBNX-LZWOXQAQSA-N 1 2 333.436 0.888 20 30 ECEDLO N#Cc1cc(C(=O)NCC2CC(NC(=O)Cn3cc[nH+]c3)C2)c[nH]1 ZINC000992046394 765270009 /nfs/dbraw/zinc/27/00/09/765270009.db2.gz KFQLXXGPQFBJRW-UHFFFAOYSA-N 1 2 326.360 0.408 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3nnnn3C)CC2)cn1 ZINC001052877237 765282134 /nfs/dbraw/zinc/28/21/34/765282134.db2.gz GRIRVPQHMIJMGE-OAHLLOKOSA-N 1 2 339.403 0.371 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3nnnn3C)CC2)cn1 ZINC001052877237 765282142 /nfs/dbraw/zinc/28/21/42/765282142.db2.gz GRIRVPQHMIJMGE-OAHLLOKOSA-N 1 2 339.403 0.371 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cc(COC)on3)C2)C1=O ZINC001015802772 765351445 /nfs/dbraw/zinc/35/14/45/765351445.db2.gz FKEQTDVHZZUVLP-WFASDCNBSA-N 1 2 348.403 0.412 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cc(COC)on3)C2)C1=O ZINC001015802772 765351453 /nfs/dbraw/zinc/35/14/53/765351453.db2.gz FKEQTDVHZZUVLP-WFASDCNBSA-N 1 2 348.403 0.412 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C)ncn3)C2)nn1 ZINC001015810194 765367584 /nfs/dbraw/zinc/36/75/84/765367584.db2.gz CADKLCBHSADAPX-ZDUSSCGKSA-N 1 2 327.392 0.567 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C)ncn3)C2)nn1 ZINC001015810194 765367586 /nfs/dbraw/zinc/36/75/86/765367586.db2.gz CADKLCBHSADAPX-ZDUSSCGKSA-N 1 2 327.392 0.567 20 30 ECEDLO Cn1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001015846180 765433967 /nfs/dbraw/zinc/43/39/67/765433967.db2.gz QVHAWGXVRQILGD-ZDUSSCGKSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001015846180 765433969 /nfs/dbraw/zinc/43/39/69/765433969.db2.gz QVHAWGXVRQILGD-ZDUSSCGKSA-N 1 2 328.351 0.830 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)c2cnon2)C1 ZINC001015877785 765486408 /nfs/dbraw/zinc/48/64/08/765486408.db2.gz ZODIRJQZPBEDJM-ZDUSSCGKSA-N 1 2 327.344 0.954 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)c2cnon2)C1 ZINC001015877785 765486410 /nfs/dbraw/zinc/48/64/10/765486410.db2.gz ZODIRJQZPBEDJM-ZDUSSCGKSA-N 1 2 327.344 0.954 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CNC(=O)CSCC#N ZINC001053033095 765506545 /nfs/dbraw/zinc/50/65/45/765506545.db2.gz MFYIVIFITSEDSN-CHWSQXEVSA-N 1 2 349.460 0.430 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001015942593 765589930 /nfs/dbraw/zinc/58/99/30/765589930.db2.gz CEORQGUYPVAKDV-JTQLQIEISA-N 1 2 328.800 0.260 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001015942593 765589937 /nfs/dbraw/zinc/58/99/37/765589937.db2.gz CEORQGUYPVAKDV-JTQLQIEISA-N 1 2 328.800 0.260 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001015968976 765638857 /nfs/dbraw/zinc/63/88/57/765638857.db2.gz LVSUVVDAADZSIZ-CYBMUJFWSA-N 1 2 332.404 0.539 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001015968976 765638860 /nfs/dbraw/zinc/63/88/60/765638860.db2.gz LVSUVVDAADZSIZ-CYBMUJFWSA-N 1 2 332.404 0.539 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C3CC3)C2)cn1 ZINC001016015917 765723629 /nfs/dbraw/zinc/72/36/29/765723629.db2.gz IZAHEFFWNMQOLR-OAHLLOKOSA-N 1 2 326.400 0.488 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C3CC3)C2)cn1 ZINC001016015917 765723630 /nfs/dbraw/zinc/72/36/30/765723630.db2.gz IZAHEFFWNMQOLR-OAHLLOKOSA-N 1 2 326.400 0.488 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCCCC3)C2)nc1 ZINC001016022536 765726848 /nfs/dbraw/zinc/72/68/48/765726848.db2.gz FEFSMUXEXRPJOV-INIZCTEOSA-N 1 2 340.427 0.880 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)nc1 ZINC001016022536 765726851 /nfs/dbraw/zinc/72/68/51/765726851.db2.gz FEFSMUXEXRPJOV-INIZCTEOSA-N 1 2 340.427 0.880 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001053269032 765874102 /nfs/dbraw/zinc/87/41/02/765874102.db2.gz UTWYEABWDZMPCF-ZIAGYGMSSA-N 1 2 332.404 0.203 20 30 ECEDLO CC#CCN1CC2(C1)CN(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)CCO2 ZINC001053424764 766110209 /nfs/dbraw/zinc/11/02/09/766110209.db2.gz PJIXDNUXNHOKAL-AWEZNQCLSA-N 1 2 328.416 0.766 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1c(C)c[nH]c1CC(N)=O)CCO2 ZINC001053442657 766140028 /nfs/dbraw/zinc/14/00/28/766140028.db2.gz NUDRHXJWSGOJCW-UHFFFAOYSA-N 1 2 346.431 0.454 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCc3cncn3C)C2)nn1 ZINC001098778689 766146049 /nfs/dbraw/zinc/14/60/49/766146049.db2.gz ADRTYQSATNEHIX-MRXNPFEDSA-N 1 2 341.419 0.141 20 30 ECEDLO N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001017767595 768355735 /nfs/dbraw/zinc/35/57/35/768355735.db2.gz OUQLYRHQONZVES-BBWFWOEESA-N 1 2 332.448 0.686 20 30 ECEDLO N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001017767595 768355743 /nfs/dbraw/zinc/35/57/43/768355743.db2.gz OUQLYRHQONZVES-BBWFWOEESA-N 1 2 332.448 0.686 20 30 ECEDLO C=CCN1CC2(C1)CN(C(=O)c1cc(-n3cc[nH+]c3)ccn1)CCO2 ZINC001053495279 766233764 /nfs/dbraw/zinc/23/37/64/766233764.db2.gz CBCVFVMYNMSRLG-UHFFFAOYSA-N 1 2 339.399 0.980 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001077514610 766249495 /nfs/dbraw/zinc/24/94/95/766249495.db2.gz JMLXTAGQUWKFGC-RAEVTNRLSA-N 1 2 329.400 0.884 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001077514610 766249504 /nfs/dbraw/zinc/24/95/04/766249504.db2.gz JMLXTAGQUWKFGC-RAEVTNRLSA-N 1 2 329.400 0.884 20 30 ECEDLO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCc3n[nH]nc3C1)CCO2 ZINC001053507172 766255894 /nfs/dbraw/zinc/25/58/94/766255894.db2.gz GESDZFSOEPAQQA-CQSZACIVSA-N 1 2 345.447 0.789 20 30 ECEDLO C[C@H](CCNc1ccnc(C#N)n1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001106485663 768366111 /nfs/dbraw/zinc/36/61/11/768366111.db2.gz RNXAVWZZJADABP-CHWSQXEVSA-N 1 2 339.403 0.536 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cn1c(C)csc1=O)CCO2 ZINC001053529099 766284519 /nfs/dbraw/zinc/28/45/19/766284519.db2.gz IYKWNSPTSMUXIH-UHFFFAOYSA-N 1 2 337.445 0.708 20 30 ECEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@H]3COC(=O)N3)C2)c1 ZINC001031647376 766333582 /nfs/dbraw/zinc/33/35/82/766333582.db2.gz LJFDJZJVILXAHT-CQSZACIVSA-N 1 2 332.335 0.354 20 30 ECEDLO COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)c2ncn(C)n2)C1 ZINC001031648312 766336727 /nfs/dbraw/zinc/33/67/27/766336727.db2.gz MUKUBMURFDDAMC-UHFFFAOYSA-N 1 2 340.387 0.557 20 30 ECEDLO COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001031661961 766380119 /nfs/dbraw/zinc/38/01/19/766380119.db2.gz ORKCXNXKNNGEHF-HUUCEWRRSA-N 1 2 344.371 0.780 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 ZINC001212250713 766411253 /nfs/dbraw/zinc/41/12/53/766411253.db2.gz GMNMIWPJFNSONY-IAGOWNOFSA-N 1 2 345.443 0.416 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)C#CC2CC2)[C@H](OC)C1 ZINC001212250713 766411256 /nfs/dbraw/zinc/41/12/56/766411256.db2.gz GMNMIWPJFNSONY-IAGOWNOFSA-N 1 2 345.443 0.416 20 30 ECEDLO N#Cc1c(Cl)nsc1NC[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001106129271 766435856 /nfs/dbraw/zinc/43/58/56/766435856.db2.gz GGIDPJJRSJNWBS-MRVPVSSYSA-N 1 2 340.796 0.523 20 30 ECEDLO CCO[C@H](C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC)C(C)C ZINC001212251324 766441659 /nfs/dbraw/zinc/44/16/59/766441659.db2.gz WZCJHBNJCWQPMW-OAGGEKHMSA-N 1 2 326.437 0.513 20 30 ECEDLO CCO[C@H](C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC)C(C)C ZINC001212251324 766441665 /nfs/dbraw/zinc/44/16/65/766441665.db2.gz WZCJHBNJCWQPMW-OAGGEKHMSA-N 1 2 326.437 0.513 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cn3c(n1)COCC3)O2 ZINC001053617829 766442872 /nfs/dbraw/zinc/44/28/72/766442872.db2.gz HOULFKHHTQATHB-ZDUSSCGKSA-N 1 2 332.404 0.563 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCc3nccn3C1)O2 ZINC001053618906 766447257 /nfs/dbraw/zinc/44/72/57/766447257.db2.gz FZSGOSLCLNGASH-HUUCEWRRSA-N 1 2 330.432 0.981 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCn3ccnc3C1)O2 ZINC001053619165 766448289 /nfs/dbraw/zinc/44/82/89/766448289.db2.gz MOQZAXUKLLBDJK-GJZGRUSLSA-N 1 2 330.432 0.981 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCC[C@]2(CC[N@H+](Cc3nnnn3C)C2)C1 ZINC001045923689 766497323 /nfs/dbraw/zinc/49/73/23/766497323.db2.gz CPWHFYBAVNHCRH-XJKSGUPXSA-N 1 2 331.424 0.574 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCC[C@]2(CC[N@@H+](Cc3nnnn3C)C2)C1 ZINC001045923689 766497330 /nfs/dbraw/zinc/49/73/30/766497330.db2.gz CPWHFYBAVNHCRH-XJKSGUPXSA-N 1 2 331.424 0.574 20 30 ECEDLO N#Cc1sc(NC[C@H](O)CNC(=O)Cc2c[nH]c[nH+]2)nc1Cl ZINC001106130880 766516741 /nfs/dbraw/zinc/51/67/41/766516741.db2.gz ZDUTYERNDPDNNR-MRVPVSSYSA-N 1 2 340.796 0.523 20 30 ECEDLO Cn1ncc(C[NH+]2CCC3(C[C@H]3NC(=O)c3ccc(C#N)[nH]3)CC2)n1 ZINC001016577301 766526933 /nfs/dbraw/zinc/52/69/33/766526933.db2.gz WCKYTKCWUSNQHA-OAHLLOKOSA-N 1 2 339.403 0.799 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C(N)=O)co1)O2 ZINC001053659282 766529017 /nfs/dbraw/zinc/52/90/17/766529017.db2.gz OSGUWCWXDWJSRN-ZDUSSCGKSA-N 1 2 333.388 0.918 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnc3cccnn31)O2 ZINC001053676994 766560842 /nfs/dbraw/zinc/56/08/42/766560842.db2.gz OJMFCSDEGCDUJS-ZDUSSCGKSA-N 1 2 327.388 0.879 20 30 ECEDLO CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C2)C1=O ZINC001212256293 766568315 /nfs/dbraw/zinc/56/83/15/766568315.db2.gz WXHGEFKPXPXFIE-RBSFLKMASA-N 1 2 335.448 0.472 20 30 ECEDLO CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C2)C1=O ZINC001212256293 766568318 /nfs/dbraw/zinc/56/83/18/766568318.db2.gz WXHGEFKPXPXFIE-RBSFLKMASA-N 1 2 335.448 0.472 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccnc3nc(C)nn31)O2 ZINC001053686662 766588405 /nfs/dbraw/zinc/58/84/05/766588405.db2.gz WTHXBKZKKGNHTB-CYBMUJFWSA-N 1 2 342.403 0.582 20 30 ECEDLO C[C@H](CC(=O)NC[C@H](O)CNc1ccc(C#N)nn1)n1cc[nH+]c1 ZINC001106132258 766608588 /nfs/dbraw/zinc/60/85/88/766608588.db2.gz XBEJBQIPUGPLJR-DGCLKSJQSA-N 1 2 329.364 0.085 20 30 ECEDLO CCn1cc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)nn1 ZINC001046011403 766635656 /nfs/dbraw/zinc/63/56/56/766635656.db2.gz DERPFNHZAKFPEU-GDBMZVCRSA-N 1 2 345.451 0.176 20 30 ECEDLO CCn1cc(C[N@H+]2CC[C@@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)nn1 ZINC001046011403 766635659 /nfs/dbraw/zinc/63/56/59/766635659.db2.gz DERPFNHZAKFPEU-GDBMZVCRSA-N 1 2 345.451 0.176 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3CCCn4nccc43)CC2)C1 ZINC001046037889 766736229 /nfs/dbraw/zinc/73/62/29/766736229.db2.gz BGTFJHDXWYKJCC-JKSUJKDBSA-N 1 2 342.447 0.503 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cnc4cc[nH]c4c3)CC2)C1 ZINC001046039787 766744030 /nfs/dbraw/zinc/74/40/30/766744030.db2.gz XOXVTHMNDSUBMU-HNNXBMFYSA-N 1 2 338.415 0.919 20 30 ECEDLO Cc1nn(C)c(C)c1CC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046049648 766783813 /nfs/dbraw/zinc/78/38/13/766783813.db2.gz UKBRJDKPYFRJKB-INIZCTEOSA-N 1 2 344.463 0.322 20 30 ECEDLO Cn1c[nH+]cc1CN1CC2(C1)C[C@H](NC(=O)c1ccc(C#N)[nH]1)CO2 ZINC001053781260 766822957 /nfs/dbraw/zinc/82/29/57/766822957.db2.gz GSMNXGDFDSZMCA-ZDUSSCGKSA-N 1 2 340.387 0.393 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@H]3CCCc4nc[nH]c43)CC2)C1 ZINC001046061322 766829462 /nfs/dbraw/zinc/82/94/62/766829462.db2.gz LVIIOPJTRAFOFW-CABCVRRESA-N 1 2 342.447 0.572 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3CCCc4nc[nH]c43)CC2)C1 ZINC001046061325 766829927 /nfs/dbraw/zinc/82/99/27/766829927.db2.gz LVIIOPJTRAFOFW-LSDHHAIUSA-N 1 2 342.447 0.572 20 30 ECEDLO CN(C)c1cc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)ccn1 ZINC001046067427 766859031 /nfs/dbraw/zinc/85/90/31/766859031.db2.gz ZEXZRZPFODHXPW-MRXNPFEDSA-N 1 2 342.447 0.503 20 30 ECEDLO C[C@H](C#N)C(=O)N(C)CCOCCNc1[nH+]cnc2c1cnn2C ZINC001127259256 766885565 /nfs/dbraw/zinc/88/55/65/766885565.db2.gz QPBLHBDIUALHET-LLVKDONJSA-N 1 2 331.380 0.410 20 30 ECEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@H]2COC3(CN(CC#N)C3)C2)[nH]n1 ZINC001053805554 766894033 /nfs/dbraw/zinc/89/40/33/766894033.db2.gz UHTVJILYZMMPRH-DOMZBBRYSA-N 1 2 344.419 0.273 20 30 ECEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@H]2COC3(CN(CC#N)C3)C2)[nH]n1 ZINC001053805554 766894042 /nfs/dbraw/zinc/89/40/42/766894042.db2.gz UHTVJILYZMMPRH-DOMZBBRYSA-N 1 2 344.419 0.273 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](O)CNc1ncccc1C#N ZINC001106135186 766900381 /nfs/dbraw/zinc/90/03/81/766900381.db2.gz OERBMVFFPNYDON-BXUZGUMPSA-N 1 2 328.376 0.444 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](O)CNc1ncccc1C#N ZINC001106135186 766900387 /nfs/dbraw/zinc/90/03/87/766900387.db2.gz OERBMVFFPNYDON-BXUZGUMPSA-N 1 2 328.376 0.444 20 30 ECEDLO Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)n1 ZINC001106135708 766910370 /nfs/dbraw/zinc/91/03/70/766910370.db2.gz ZMFGPCRFFBVHLE-XHDPSFHLSA-N 1 2 342.403 0.753 20 30 ECEDLO Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)n1 ZINC001106135708 766910375 /nfs/dbraw/zinc/91/03/75/766910375.db2.gz ZMFGPCRFFBVHLE-XHDPSFHLSA-N 1 2 342.403 0.753 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000994829406 766918208 /nfs/dbraw/zinc/91/82/08/766918208.db2.gz MVWPTRGZHAKUKI-KQTLUZQSSA-N 1 2 344.415 0.821 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000994829406 766918209 /nfs/dbraw/zinc/91/82/09/766918209.db2.gz MVWPTRGZHAKUKI-KQTLUZQSSA-N 1 2 344.415 0.821 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)NC2CN(C(=O)c3ccc(C#N)[nH]3)C2)c[nH+]1 ZINC000994838886 766930338 /nfs/dbraw/zinc/93/03/38/766930338.db2.gz KNHPFZVZGFPXSB-UHFFFAOYSA-N 1 2 340.387 0.767 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)CCc3cncc(F)c3)CC2)C1 ZINC001046089384 766931439 /nfs/dbraw/zinc/93/14/39/766931439.db2.gz CHIXIOKXUSOYRG-QGZVFWFLSA-N 1 2 345.422 0.895 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2COCCO2)C1 ZINC001046152571 766982475 /nfs/dbraw/zinc/98/24/75/766982475.db2.gz LFLXQBYGVJHCIX-YPMHNXCESA-N 1 2 333.226 0.891 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2COCCO2)C1 ZINC001046152571 766982480 /nfs/dbraw/zinc/98/24/80/766982480.db2.gz LFLXQBYGVJHCIX-YPMHNXCESA-N 1 2 333.226 0.891 20 30 ECEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCCNC1=O ZINC001031744702 767016010 /nfs/dbraw/zinc/01/60/10/767016010.db2.gz OBDQSGSUTDNPJW-KRWDZBQOSA-N 1 2 343.402 0.751 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCn3ccnc3C1)CO2 ZINC001053852695 767024126 /nfs/dbraw/zinc/02/41/26/767024126.db2.gz ORQKXCFTJDEEFO-HUUCEWRRSA-N 1 2 328.416 0.428 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c(C)[nH]cc1NC(C)=O)CO2 ZINC001053853020 767024385 /nfs/dbraw/zinc/02/43/85/767024385.db2.gz VNZODBUXMAUSMK-CQSZACIVSA-N 1 2 344.415 0.878 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ncnc3[nH]ccc31)CO2 ZINC001053857925 767043882 /nfs/dbraw/zinc/04/38/82/767043882.db2.gz RUUAALZSNPCROM-LBPRGKRZSA-N 1 2 325.372 0.506 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc3ncnn31)CO2 ZINC001053859492 767051699 /nfs/dbraw/zinc/05/16/99/767051699.db2.gz JQAKMJXFRLGZNJ-ZDUSSCGKSA-N 1 2 325.372 0.326 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001077523853 767061648 /nfs/dbraw/zinc/06/16/48/767061648.db2.gz JMLXTAGQUWKFGC-DANNLKNASA-N 1 2 329.400 0.884 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001077523853 767061654 /nfs/dbraw/zinc/06/16/54/767061654.db2.gz JMLXTAGQUWKFGC-DANNLKNASA-N 1 2 329.400 0.884 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1Cc3ccccc3O1)CO2 ZINC001053865090 767069487 /nfs/dbraw/zinc/06/94/87/767069487.db2.gz QUHIRADBADOUBY-RDJZCZTQSA-N 1 2 326.396 0.973 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccn(CCOC)n1)CO2 ZINC001053867578 767078292 /nfs/dbraw/zinc/07/82/92/767078292.db2.gz NWOIFPFWWFVKLW-AWEZNQCLSA-N 1 2 332.404 0.126 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cn(C)nc2C2CCCC2)[C@@H](O)C1 ZINC001083765754 767088704 /nfs/dbraw/zinc/08/87/04/767088704.db2.gz TYMCYBIRHCIIAW-CVEARBPZSA-N 1 2 330.432 0.876 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2C2CCCC2)[C@@H](O)C1 ZINC001083765754 767088710 /nfs/dbraw/zinc/08/87/10/767088710.db2.gz TYMCYBIRHCIIAW-CVEARBPZSA-N 1 2 330.432 0.876 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2cn(CCOC)nn2)C1 ZINC001046305962 767138076 /nfs/dbraw/zinc/13/80/76/767138076.db2.gz SWKGWOSYBAQESW-AWEZNQCLSA-N 1 2 327.816 0.871 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2cn(CCOC)nn2)C1 ZINC001046305962 767138079 /nfs/dbraw/zinc/13/80/79/767138079.db2.gz SWKGWOSYBAQESW-AWEZNQCLSA-N 1 2 327.816 0.871 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2(C(F)F)CC2)[C@H](OC)C1 ZINC001212285121 767142435 /nfs/dbraw/zinc/14/24/35/767142435.db2.gz VMWDMJOKXJXLIR-QJPTWQEYSA-N 1 2 345.390 0.538 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C(F)F)CC2)[C@H](OC)C1 ZINC001212285121 767142436 /nfs/dbraw/zinc/14/24/36/767142436.db2.gz VMWDMJOKXJXLIR-QJPTWQEYSA-N 1 2 345.390 0.538 20 30 ECEDLO C[C@@]1(NC(=O)C2CS(=O)(=O)C2)CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001046342210 767157471 /nfs/dbraw/zinc/15/74/71/767157471.db2.gz QLOFULNGZATMHZ-QGZVFWFLSA-N 1 2 347.440 0.683 20 30 ECEDLO C[C@@]1(NC(=O)C2CS(=O)(=O)C2)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001046342210 767157473 /nfs/dbraw/zinc/15/74/73/767157473.db2.gz QLOFULNGZATMHZ-QGZVFWFLSA-N 1 2 347.440 0.683 20 30 ECEDLO C[C@@H]1CN(C)C[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3)C2)O1 ZINC001031769860 767175672 /nfs/dbraw/zinc/17/56/72/767175672.db2.gz RSJACGAHXRFZJN-RDTXWAMCSA-N 1 2 342.443 0.825 20 30 ECEDLO Cn1nnc(C[N@@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C#CC2CC2)n1 ZINC001089807078 767234452 /nfs/dbraw/zinc/23/44/52/767234452.db2.gz WTYNFBBRHTVCCA-JONQDZQNSA-N 1 2 340.431 0.292 20 30 ECEDLO Cn1nnc(C[N@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C#CC2CC2)n1 ZINC001089807078 767234453 /nfs/dbraw/zinc/23/44/53/767234453.db2.gz WTYNFBBRHTVCCA-JONQDZQNSA-N 1 2 340.431 0.292 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3cnn(C)c3C1)CO2 ZINC001053907291 767324281 /nfs/dbraw/zinc/32/42/81/767324281.db2.gz SCYKMKPFRBTFHK-GOEBONIOSA-N 1 2 342.443 0.508 20 30 ECEDLO Cc1nsc(NC[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1C#N ZINC001106157733 767422162 /nfs/dbraw/zinc/42/21/62/767422162.db2.gz JMQFDMYMPQVCFT-GMTAPVOTSA-N 1 2 346.416 0.739 20 30 ECEDLO Cc1nsc(NC[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1C#N ZINC001106157733 767422166 /nfs/dbraw/zinc/42/21/66/767422166.db2.gz JMQFDMYMPQVCFT-GMTAPVOTSA-N 1 2 346.416 0.739 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C(=O)NC)nc1)CO2 ZINC001053984932 767532864 /nfs/dbraw/zinc/53/28/64/767532864.db2.gz GTCDISDCGXJGSY-AWEZNQCLSA-N 1 2 342.399 0.038 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1COC2(C[NH+](CCOC)C2)C1 ZINC001053985179 767532927 /nfs/dbraw/zinc/53/29/27/767532927.db2.gz KUNPWMZOJPIZEH-AWEZNQCLSA-N 1 2 345.399 0.313 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1CCCCC(=O)N1)CO2 ZINC001053993197 767547511 /nfs/dbraw/zinc/54/75/11/767547511.db2.gz HMHHKDQURNEACU-GJZGRUSLSA-N 1 2 335.448 0.971 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cncnc1C1CC1)CO2 ZINC001053996212 767554748 /nfs/dbraw/zinc/55/47/48/767554748.db2.gz CXRJKGCZLPJABY-AWEZNQCLSA-N 1 2 326.400 0.950 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cncnc1C1CC1)CO2 ZINC001053996213 767554785 /nfs/dbraw/zinc/55/47/85/767554785.db2.gz CXRJKGCZLPJABY-CQSZACIVSA-N 1 2 326.400 0.950 20 30 ECEDLO Cn1ncnc1C[N@H+](C)C[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001017092650 767575213 /nfs/dbraw/zinc/57/52/13/767575213.db2.gz IMGDHGYFDLBAJW-ZDUSSCGKSA-N 1 2 341.419 0.999 20 30 ECEDLO Cn1ncnc1C[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001017092650 767575217 /nfs/dbraw/zinc/57/52/17/767575217.db2.gz IMGDHGYFDLBAJW-ZDUSSCGKSA-N 1 2 341.419 0.999 20 30 ECEDLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001017103274 767586705 /nfs/dbraw/zinc/58/67/05/767586705.db2.gz IJCXFRQTVGSSKW-UHFFFAOYSA-N 1 2 326.360 0.571 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCN1C(=O)C(C)C)CO2 ZINC001054011307 767593643 /nfs/dbraw/zinc/59/36/43/767593643.db2.gz HQBKFVSBLYFUJC-JKSUJKDBSA-N 1 2 347.459 0.616 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C(C)C)CO2 ZINC001054011305 767594255 /nfs/dbraw/zinc/59/42/55/767594255.db2.gz HQBKFVSBLYFUJC-HOTGVXAUSA-N 1 2 347.459 0.616 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCCNC1=O ZINC001054043115 767641672 /nfs/dbraw/zinc/64/16/72/767641672.db2.gz QFSGEIWTHPTTAR-DLBZAZTESA-N 1 2 325.412 0.689 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCCNC1=O ZINC001054043115 767641677 /nfs/dbraw/zinc/64/16/77/767641677.db2.gz QFSGEIWTHPTTAR-DLBZAZTESA-N 1 2 325.412 0.689 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001054042133 767642185 /nfs/dbraw/zinc/64/21/85/767642185.db2.gz PBKOBEYVAPMRFB-DLBZAZTESA-N 1 2 325.412 0.641 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001054042133 767642190 /nfs/dbraw/zinc/64/21/90/767642190.db2.gz PBKOBEYVAPMRFB-DLBZAZTESA-N 1 2 325.412 0.641 20 30 ECEDLO C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1CN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC000992894985 767761424 /nfs/dbraw/zinc/76/14/24/767761424.db2.gz HHZJBNVCQHKHSY-KBXCAEBGSA-N 1 2 326.400 0.673 20 30 ECEDLO N#Cc1cnc(N[C@@H]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]23)cn1 ZINC001060534703 768560440 /nfs/dbraw/zinc/56/04/40/768560440.db2.gz DISMNJGLASPLQQ-BPLDGKMQSA-N 1 2 337.387 0.894 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@@H](n2cc(C[NH2+]CCF)nn2)C1 ZINC001098789592 768710690 /nfs/dbraw/zinc/71/06/90/768710690.db2.gz FWZHNTGJGOBBFQ-CQSZACIVSA-N 1 2 325.388 0.703 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC001055313492 768769245 /nfs/dbraw/zinc/76/92/45/768769245.db2.gz SLBPFMONGQQSTG-QWQRMKEZSA-N 1 2 346.431 0.505 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000993344179 768816918 /nfs/dbraw/zinc/81/69/18/768816918.db2.gz BOBHUSHWSDWQDR-VBQJREDUSA-N 1 2 329.404 0.740 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(-c3ccncc3)on2)[C@@H](O)C1 ZINC001083739421 768954205 /nfs/dbraw/zinc/95/42/05/768954205.db2.gz GAPHSMHKWYFWAE-CABCVRRESA-N 1 2 326.356 0.535 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(-c3ccncc3)on2)[C@@H](O)C1 ZINC001083739421 768954208 /nfs/dbraw/zinc/95/42/08/768954208.db2.gz GAPHSMHKWYFWAE-CABCVRRESA-N 1 2 326.356 0.535 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccn[nH]3)C2)CC1 ZINC001018359940 769191889 /nfs/dbraw/zinc/19/18/89/769191889.db2.gz RFOCFRDKQVXLBB-HNNXBMFYSA-N 1 2 343.431 0.429 20 30 ECEDLO C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001042084427 782734202 /nfs/dbraw/zinc/73/42/02/782734202.db2.gz XJRGGMQBULLWDW-BXUZGUMPSA-N 1 2 325.376 0.265 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CN(C(C)=O)C[C@H]2c2c[nH+]cn2C)c1 ZINC000993573243 769273671 /nfs/dbraw/zinc/27/36/71/769273671.db2.gz IBYLUQPRASZEFV-HZPDHXFCSA-N 1 2 337.383 0.541 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(C)=O)C1 ZINC000993606196 769352706 /nfs/dbraw/zinc/35/27/06/769352706.db2.gz DKRSMNNHMQTXQN-HWMZRRJGSA-N 1 2 346.431 0.832 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cncn3C)[C@H]2C)nn1 ZINC000993941154 769915361 /nfs/dbraw/zinc/91/53/61/769915361.db2.gz ABRFBEGZJBTQDF-ZFWWWQNUSA-N 1 2 343.435 0.981 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cncn3C)[C@H]2C)nn1 ZINC000993941154 769915366 /nfs/dbraw/zinc/91/53/66/769915366.db2.gz ABRFBEGZJBTQDF-ZFWWWQNUSA-N 1 2 343.435 0.981 20 30 ECEDLO CC(C)(C(=O)N1CCN(c2cnc(C#N)cn2)CC1)c1c[nH+]c[nH]1 ZINC001055861110 770009132 /nfs/dbraw/zinc/00/91/32/770009132.db2.gz MXFPOJSDALALOF-UHFFFAOYSA-N 1 2 325.376 0.698 20 30 ECEDLO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCCO2)o1 ZINC001078373886 782799233 /nfs/dbraw/zinc/79/92/33/782799233.db2.gz LSIINKKGFVUQMM-CYBMUJFWSA-N 1 2 344.375 0.599 20 30 ECEDLO N#Cc1cc(C(=O)N2CCCO[C@@H](C[NH2+]Cc3csnn3)C2)c[nH]1 ZINC001078384145 782821068 /nfs/dbraw/zinc/82/10/68/782821068.db2.gz ODQZZDRFWLQJDF-AWEZNQCLSA-N 1 2 346.416 0.759 20 30 ECEDLO O=C(C#CC1CC1)N1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001018978342 770458890 /nfs/dbraw/zinc/45/88/90/770458890.db2.gz UWNUGEOEZWPRFD-UHFFFAOYSA-N 1 2 326.400 0.817 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC2(C1)CCN(C(=O)[C@@H](C)C#N)C2 ZINC001019057693 770682786 /nfs/dbraw/zinc/68/27/86/770682786.db2.gz BLHXFHZQHFZLPO-OLZOCXBDSA-N 1 2 329.404 0.809 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(C1)CCN(C(=O)[C@@H](C)C#N)C2 ZINC001019057693 770682787 /nfs/dbraw/zinc/68/27/87/770682787.db2.gz BLHXFHZQHFZLPO-OLZOCXBDSA-N 1 2 329.404 0.809 20 30 ECEDLO CC(C)C#CC(=O)N1CCC[C@@](CO)(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001056079690 770777028 /nfs/dbraw/zinc/77/70/28/770777028.db2.gz GJJPVIZWWLXYMI-QGZVFWFLSA-N 1 2 332.404 0.081 20 30 ECEDLO N#Cc1cc(C(=O)N2CC(NC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)c[nH]1 ZINC000994561624 771108877 /nfs/dbraw/zinc/10/88/77/771108877.db2.gz IVHKUTIFTUZIHZ-NSHDSACASA-N 1 2 338.371 0.286 20 30 ECEDLO N#Cc1cnc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cn1 ZINC001056333158 771138971 /nfs/dbraw/zinc/13/89/71/771138971.db2.gz GLDIVAYIZXUNFU-CVGURMSBSA-N 1 2 349.398 0.358 20 30 ECEDLO N#Cc1cc(C(=O)N2CC(NC(=O)[C@H]3CCn4cc[nH+]c4C3)C2)c[nH]1 ZINC000994599844 771261602 /nfs/dbraw/zinc/26/16/02/771261602.db2.gz GZKBSZLSCOCTJI-NSHDSACASA-N 1 2 338.371 0.286 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC3(C2)CCN(C(=O)Cc2[nH]cc[nH+]2)C3)c1 ZINC001019414974 771266192 /nfs/dbraw/zinc/26/61/92/771266192.db2.gz YLOHGZITDUOGTR-UHFFFAOYSA-N 1 2 349.394 0.703 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056526627 771354096 /nfs/dbraw/zinc/35/40/96/771354096.db2.gz HGWFUOLJJMGGEE-CABCVRRESA-N 1 2 344.415 0.584 20 30 ECEDLO COc1cc(C[N@@H+]2C[C@@H](NC(=O)C#CC3CC3)[C@H](OC)C2)ccn1 ZINC001212244300 771502829 /nfs/dbraw/zinc/50/28/29/771502829.db2.gz NMDAURVIGUUMNI-HZPDHXFCSA-N 1 2 329.400 0.819 20 30 ECEDLO COc1cc(C[N@H+]2C[C@@H](NC(=O)C#CC3CC3)[C@H](OC)C2)ccn1 ZINC001212244300 771502835 /nfs/dbraw/zinc/50/28/35/771502835.db2.gz NMDAURVIGUUMNI-HZPDHXFCSA-N 1 2 329.400 0.819 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1C[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001056707181 771537555 /nfs/dbraw/zinc/53/75/55/771537555.db2.gz CDSFHBYKUXPSNZ-SOUVJXGZSA-N 1 2 344.415 0.440 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](Nc2cncc(C#N)n2)C1 ZINC001056797692 771657081 /nfs/dbraw/zinc/65/70/81/771657081.db2.gz YGRSXIBXIIGQMF-NWDGAFQWSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](Nc2cncc(C#N)n2)C1 ZINC001056797692 771657084 /nfs/dbraw/zinc/65/70/84/771657084.db2.gz YGRSXIBXIIGQMF-NWDGAFQWSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H](N(C)c2ncnc3c2C[N@H+](C)CC3)C1 ZINC001056870966 771745918 /nfs/dbraw/zinc/74/59/18/771745918.db2.gz FCKUMFCDRYLDHO-OLZOCXBDSA-N 1 2 328.420 0.661 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H](N(C)c2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001056870966 771745921 /nfs/dbraw/zinc/74/59/21/771745921.db2.gz FCKUMFCDRYLDHO-OLZOCXBDSA-N 1 2 328.420 0.661 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](N(C)c2ccc(C#N)nn2)C1 ZINC001057046514 771991821 /nfs/dbraw/zinc/99/18/21/771991821.db2.gz CPZOTTCPFMLYFV-WFASDCNBSA-N 1 2 339.403 0.987 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](N(C)c2ccc(C#N)nn2)C1 ZINC001057046514 771991826 /nfs/dbraw/zinc/99/18/26/771991826.db2.gz CPZOTTCPFMLYFV-WFASDCNBSA-N 1 2 339.403 0.987 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](N(C)c2cncc(C#N)n2)C1 ZINC001057046847 771992706 /nfs/dbraw/zinc/99/27/06/771992706.db2.gz HRJRPZZNHVEEHK-WFASDCNBSA-N 1 2 339.403 0.987 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](N(C)c2cncc(C#N)n2)C1 ZINC001057046847 771992709 /nfs/dbraw/zinc/99/27/09/771992709.db2.gz HRJRPZZNHVEEHK-WFASDCNBSA-N 1 2 339.403 0.987 20 30 ECEDLO CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001057074433 772042012 /nfs/dbraw/zinc/04/20/12/772042012.db2.gz FRQWVICOMHDFIN-AWEZNQCLSA-N 1 2 339.403 0.752 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCCN(c2cnc(C#N)cn2)CC1 ZINC001057162846 772197747 /nfs/dbraw/zinc/19/77/47/772197747.db2.gz SJRWOEBTIPJTBY-UHFFFAOYSA-N 1 2 325.376 0.661 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(C(C)C)[nH]2)C1 ZINC001020250697 772350662 /nfs/dbraw/zinc/35/06/62/772350662.db2.gz LREUQIZRKICQKG-KKUMJFAQSA-N 1 2 344.463 0.763 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(C(C)C)[nH]2)C1 ZINC001020250697 772350674 /nfs/dbraw/zinc/35/06/74/772350674.db2.gz LREUQIZRKICQKG-KKUMJFAQSA-N 1 2 344.463 0.763 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CCCN(c2cncc(C#N)n2)CC1 ZINC001057263172 772368993 /nfs/dbraw/zinc/36/89/93/772368993.db2.gz FKRBDUNESCOFNL-UHFFFAOYSA-N 1 2 339.403 0.753 20 30 ECEDLO C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001057446996 772624315 /nfs/dbraw/zinc/62/43/15/772624315.db2.gz MWNOSAPFECWGEQ-AWEZNQCLSA-N 1 2 334.420 0.329 20 30 ECEDLO C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001057446996 772624317 /nfs/dbraw/zinc/62/43/17/772624317.db2.gz MWNOSAPFECWGEQ-AWEZNQCLSA-N 1 2 334.420 0.329 20 30 ECEDLO N#Cc1ccc(NCC2CCN(C(=O)Cn3cc[nH+]c3)CC2)nn1 ZINC001057503774 772691949 /nfs/dbraw/zinc/69/19/49/772691949.db2.gz ZQHUDUIPGCQMSG-UHFFFAOYSA-N 1 2 325.376 0.895 20 30 ECEDLO CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001057524854 772717116 /nfs/dbraw/zinc/71/71/16/772717116.db2.gz UEFQEYMVJDOHOD-HUUCEWRRSA-N 1 2 346.431 0.120 20 30 ECEDLO C=CCC(CC=C)C(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1 ZINC001057681414 772907736 /nfs/dbraw/zinc/90/77/36/772907736.db2.gz GTJBFHITWCOXBG-UHFFFAOYSA-N 1 2 334.420 0.589 20 30 ECEDLO CC(C)(C)C#CC(=O)NCCN(CCO)C(=O)CCc1c[nH]c[nH+]1 ZINC001057901134 773158622 /nfs/dbraw/zinc/15/86/22/773158622.db2.gz HTBQBPZWJVORQO-UHFFFAOYSA-N 1 2 334.420 0.329 20 30 ECEDLO CC(C)(C)C#CC(=O)NCCN(CCO)C(=O)CCc1c[nH+]c[nH]1 ZINC001057901134 773158623 /nfs/dbraw/zinc/15/86/23/773158623.db2.gz HTBQBPZWJVORQO-UHFFFAOYSA-N 1 2 334.420 0.329 20 30 ECEDLO CN(C(=O)Cc1[nH]cc[nH+]1)C1CCN(c2ccnc(C#N)n2)CC1 ZINC001058061576 773456249 /nfs/dbraw/zinc/45/62/49/773456249.db2.gz DWPRBYCBDIOPEN-UHFFFAOYSA-N 1 2 325.376 0.741 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCN(c2cncc(C#N)n2)C1 ZINC001058176778 773707763 /nfs/dbraw/zinc/70/77/63/773707763.db2.gz GWPNZZGRVUCKFC-GFCCVEGCSA-N 1 2 325.376 0.409 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCN(c2nccnc2C#N)C1 ZINC001058181852 773719637 /nfs/dbraw/zinc/71/96/37/773719637.db2.gz KAMWZWQMHOHIKX-GFCCVEGCSA-N 1 2 325.376 0.708 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)CCn1cc[nH+]c1 ZINC001058200598 773758138 /nfs/dbraw/zinc/75/81/38/773758138.db2.gz MPXUOOFWUJWTNR-LSDHHAIUSA-N 1 2 336.436 0.669 20 30 ECEDLO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001058303789 773938196 /nfs/dbraw/zinc/93/81/96/773938196.db2.gz KDVOWNWSWRZEGF-AWEZNQCLSA-N 1 2 348.447 0.595 20 30 ECEDLO C=CC(C)(C)CC(=O)NC[C@]1(O)CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001039818767 783147234 /nfs/dbraw/zinc/14/72/34/783147234.db2.gz IUJOPCJOYCFVFC-GOSISDBHSA-N 1 2 348.447 0.645 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)Cc1c[nH+]cn1C ZINC001058436231 774176652 /nfs/dbraw/zinc/17/66/52/774176652.db2.gz YRBJEAHJZZSACE-UONOGXRCSA-N 1 2 336.436 0.358 20 30 ECEDLO N#Cc1cnc(N2CC[C@@H](NC(=O)[C@H]3CCc4c[nH+]cn4C3)C2)cn1 ZINC001058481316 774272425 /nfs/dbraw/zinc/27/24/25/774272425.db2.gz OJTKNSADWRCLNZ-QWHCGFSZSA-N 1 2 337.387 0.502 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCN(c3[nH+]cnc4c3cnn4C)C2)c1 ZINC001058539494 774390011 /nfs/dbraw/zinc/39/00/11/774390011.db2.gz DIYBKNKKJZHBMR-CQSZACIVSA-N 1 2 347.382 0.748 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001039831676 783175439 /nfs/dbraw/zinc/17/54/39/783175439.db2.gz ZIGIIGKKUJXWSZ-UGSOOPFHSA-N 1 2 348.447 0.880 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@](O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001039831676 783175442 /nfs/dbraw/zinc/17/54/42/783175442.db2.gz ZIGIIGKKUJXWSZ-UGSOOPFHSA-N 1 2 348.447 0.880 20 30 ECEDLO C=CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001058626360 774564663 /nfs/dbraw/zinc/56/46/63/774564663.db2.gz GFEOAYGCCQKEJS-ZIAGYGMSSA-N 1 2 334.420 0.807 20 30 ECEDLO C=CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001058626360 774564667 /nfs/dbraw/zinc/56/46/67/774564667.db2.gz GFEOAYGCCQKEJS-ZIAGYGMSSA-N 1 2 334.420 0.807 20 30 ECEDLO C=CCCCC(=O)N(CCO)CCNC(=O)Cc1c[nH+]ccc1OC ZINC001058626799 774565684 /nfs/dbraw/zinc/56/56/84/774565684.db2.gz ZTGSNKCYZJVOMB-UHFFFAOYSA-N 1 2 349.431 0.926 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001044980349 774795086 /nfs/dbraw/zinc/79/50/86/774795086.db2.gz LZCBZYQJLCITMY-CHWSQXEVSA-N 1 2 348.447 0.835 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001044981418 774797145 /nfs/dbraw/zinc/79/71/45/774797145.db2.gz WGEBQVFHEYUFSM-VXGBXAGGSA-N 1 2 334.420 0.408 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001045059709 774912612 /nfs/dbraw/zinc/91/26/12/774912612.db2.gz VXBKGPBRMUFQRH-KGLIPLIRSA-N 1 2 348.447 0.880 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001045059709 774912617 /nfs/dbraw/zinc/91/26/17/774912617.db2.gz VXBKGPBRMUFQRH-KGLIPLIRSA-N 1 2 348.447 0.880 20 30 ECEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001043852587 775100984 /nfs/dbraw/zinc/10/09/84/775100984.db2.gz PARVLPQJPITKCA-JKSUJKDBSA-N 1 2 335.448 0.875 20 30 ECEDLO C=CCC1(C(=O)N2CC(O)(CNC(=O)Cc3c[nH+]cn3C)C2)CCC1 ZINC001044011165 775506550 /nfs/dbraw/zinc/50/65/50/775506550.db2.gz KWQOJAWSGHFGBA-UHFFFAOYSA-N 1 2 346.431 0.399 20 30 ECEDLO C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001045458871 775641347 /nfs/dbraw/zinc/64/13/47/775641347.db2.gz PAJATQBWYYFHHV-AWEZNQCLSA-N 1 2 346.431 0.491 20 30 ECEDLO C=C1CCC(C(=O)N2CC(O)(CNC(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001044138044 775771216 /nfs/dbraw/zinc/77/12/16/775771216.db2.gz WFQLTKRDVKROFT-UHFFFAOYSA-N 1 2 346.431 0.709 20 30 ECEDLO C#Cc1ccc(C(=O)NC2(C)CC[NH+](Cc3cnn(C)n3)CC2)nc1 ZINC001045624968 775912979 /nfs/dbraw/zinc/91/29/79/775912979.db2.gz JYCBNAKQAFMYLR-UHFFFAOYSA-N 1 2 338.415 0.976 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](C[C@@H](O)Cn3cccn3)C2)nc1 ZINC001044205727 775915866 /nfs/dbraw/zinc/91/58/66/775915866.db2.gz FGGRAPQDKTVACO-MRXNPFEDSA-N 1 2 339.399 0.077 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001044323691 776154211 /nfs/dbraw/zinc/15/42/11/776154211.db2.gz QZCBSVCEXZVYCE-VXGBXAGGSA-N 1 2 334.420 0.408 20 30 ECEDLO CCN(C(=O)C#CC1CC1)C1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001079737976 776781570 /nfs/dbraw/zinc/78/15/70/776781570.db2.gz IHYILZKELFEDRR-UHFFFAOYSA-N 1 2 328.416 0.825 20 30 ECEDLO C=CCCC(=O)NC[C@H]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)O1 ZINC001068535863 790503736 /nfs/dbraw/zinc/50/37/36/790503736.db2.gz PLZJJTMGYLZDGN-CQSZACIVSA-N 1 2 332.404 0.726 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001079962850 777157346 /nfs/dbraw/zinc/15/73/46/777157346.db2.gz DUULBXDUTCFZNR-QGZVFWFLSA-N 1 2 334.420 0.729 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001079962850 777157349 /nfs/dbraw/zinc/15/73/49/777157349.db2.gz DUULBXDUTCFZNR-QGZVFWFLSA-N 1 2 334.420 0.729 20 30 ECEDLO C=CCOCC(=O)N1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001080013974 777231468 /nfs/dbraw/zinc/23/14/68/777231468.db2.gz HENFNTQEGBQAOY-ZIAGYGMSSA-N 1 2 332.404 0.775 20 30 ECEDLO C=CCOCC(=O)N1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001080013974 777231475 /nfs/dbraw/zinc/23/14/75/777231475.db2.gz HENFNTQEGBQAOY-ZIAGYGMSSA-N 1 2 332.404 0.775 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)Cn2cc[nH+]c2)C1 ZINC001080034598 777275983 /nfs/dbraw/zinc/27/59/83/777275983.db2.gz BTCVHSPWOYVGBD-CABCVRRESA-N 1 2 332.404 0.534 20 30 ECEDLO C#CCOCCC(=O)N1CC(N(CC)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001080143991 777460594 /nfs/dbraw/zinc/46/05/94/777460594.db2.gz JPMPDLDQKMAQLL-UHFFFAOYSA-N 1 2 346.431 0.787 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2ccc(OC)cc2)[C@@H](n2ccnn2)C1 ZINC001070082275 790540633 /nfs/dbraw/zinc/54/06/33/790540633.db2.gz HVMGYJAYFAURHR-SJORKVTESA-N 1 2 339.399 0.504 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2ccc(OC)cc2)[C@@H](n2ccnn2)C1 ZINC001070082275 790540644 /nfs/dbraw/zinc/54/06/44/790540644.db2.gz HVMGYJAYFAURHR-SJORKVTESA-N 1 2 339.399 0.504 20 30 ECEDLO CCN(C(=O)CCn1cc[nH+]c1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001080167155 777492064 /nfs/dbraw/zinc/49/20/64/777492064.db2.gz VQAUXRGZEBVDBY-UHFFFAOYSA-N 1 2 340.387 0.846 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)CCn2cc[nH+]c2)C1 ZINC001080168119 777494149 /nfs/dbraw/zinc/49/41/49/777494149.db2.gz OUFZAQZDVDVVKK-KRWDZBQOSA-N 1 2 334.420 0.660 20 30 ECEDLO CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001080416004 777820501 /nfs/dbraw/zinc/82/05/01/777820501.db2.gz HOYJEWAHBCHLGN-CHWSQXEVSA-N 1 2 329.404 0.664 20 30 ECEDLO CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001080416007 777821166 /nfs/dbraw/zinc/82/11/66/777821166.db2.gz HOYJEWAHBCHLGN-STQMWFEESA-N 1 2 329.404 0.664 20 30 ECEDLO CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001080418812 777824215 /nfs/dbraw/zinc/82/42/15/777824215.db2.gz ZWQPXMTWADBZNQ-XJKSGUPXSA-N 1 2 348.447 0.316 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001080433620 777849541 /nfs/dbraw/zinc/84/95/41/777849541.db2.gz KQDRSTCNNLVTFB-GLXFQSAKSA-N 1 2 344.253 0.858 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001080433620 777849549 /nfs/dbraw/zinc/84/95/49/777849549.db2.gz KQDRSTCNNLVTFB-GLXFQSAKSA-N 1 2 344.253 0.858 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001043228566 778012648 /nfs/dbraw/zinc/01/26/48/778012648.db2.gz OMEHUQYWDVKTIT-ZIAGYGMSSA-N 1 2 348.447 0.880 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001043228566 778012652 /nfs/dbraw/zinc/01/26/52/778012652.db2.gz OMEHUQYWDVKTIT-ZIAGYGMSSA-N 1 2 348.447 0.880 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1Nc1ccnc(C#N)n1 ZINC001043249986 778046733 /nfs/dbraw/zinc/04/67/33/778046733.db2.gz AZQWEDHXCKKAFG-DGCLKSJQSA-N 1 2 325.376 0.005 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(C#N)n2)C1 ZINC001043272680 778080080 /nfs/dbraw/zinc/08/00/80/778080080.db2.gz DEFKZKBXWFNNKW-ZWNOBZJWSA-N 1 2 325.376 0.303 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c[nH]c3ncccc23)[C@@H](n2ccnn2)C1 ZINC001070099331 790602015 /nfs/dbraw/zinc/60/20/15/790602015.db2.gz FKQNDCCXMTZZDG-CABCVRRESA-N 1 2 335.371 0.443 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c3ncccc23)[C@@H](n2ccnn2)C1 ZINC001070099331 790602020 /nfs/dbraw/zinc/60/20/20/790602020.db2.gz FKQNDCCXMTZZDG-CABCVRRESA-N 1 2 335.371 0.443 20 30 ECEDLO C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001043624422 778615704 /nfs/dbraw/zinc/61/57/04/778615704.db2.gz RIDLQLDFHWIBOS-AWEZNQCLSA-N 1 2 346.431 0.491 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CCC(C)(C)C)C1 ZINC001043649182 778665040 /nfs/dbraw/zinc/66/50/40/778665040.db2.gz MWTVCYCAQXNSFY-HNNXBMFYSA-N 1 2 349.475 0.600 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CCC(C)(C)C)C1 ZINC001043649182 778665045 /nfs/dbraw/zinc/66/50/45/778665045.db2.gz MWTVCYCAQXNSFY-HNNXBMFYSA-N 1 2 349.475 0.600 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001043675943 778703014 /nfs/dbraw/zinc/70/30/14/778703014.db2.gz ZMUJAQOTXAQFDB-BFHYXJOUSA-N 1 2 346.431 0.805 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001043675943 778703019 /nfs/dbraw/zinc/70/30/19/778703019.db2.gz ZMUJAQOTXAQFDB-BFHYXJOUSA-N 1 2 346.431 0.805 20 30 ECEDLO Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2n2ccnn2)cs1 ZINC001070157452 790777618 /nfs/dbraw/zinc/77/76/18/790777618.db2.gz YKABTOONAXOFRZ-GDLCADMTSA-N 1 2 345.432 0.744 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1C[NH+](C[C@@H]2CCc3ncnn32)C1 ZINC001042628930 780553490 /nfs/dbraw/zinc/55/34/90/780553490.db2.gz PHJVIEALGCRHKW-LBPRGKRZSA-N 1 2 325.376 0.422 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(N(C)c2[nH+]cnc3c2cnn3C)CC1 ZINC001068653559 790805066 /nfs/dbraw/zinc/80/50/66/790805066.db2.gz NAROKLRQQZYXLQ-LLVKDONJSA-N 1 2 327.392 0.950 20 30 ECEDLO C#CCCCCC(=O)NCC1(O)CN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001042664178 780608319 /nfs/dbraw/zinc/60/83/19/780608319.db2.gz QATUDPFMPSVZEP-HNNXBMFYSA-N 1 2 346.431 0.717 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001079093481 780758108 /nfs/dbraw/zinc/75/81/08/780758108.db2.gz RNHJKQXJHPAZNK-ZBFHGGJFSA-N 1 2 346.431 0.830 20 30 ECEDLO C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001043061190 781258285 /nfs/dbraw/zinc/25/82/85/781258285.db2.gz AZNSONQFSAWBNR-CHWSQXEVSA-N 1 2 346.431 0.805 20 30 ECEDLO C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001043061190 781258293 /nfs/dbraw/zinc/25/82/93/781258293.db2.gz AZNSONQFSAWBNR-CHWSQXEVSA-N 1 2 346.431 0.805 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2COCCN2C)C1 ZINC001079598632 781304622 /nfs/dbraw/zinc/30/46/22/781304622.db2.gz JUUJZRAJQKVQJA-RAIGVLPGSA-N 1 2 346.269 0.662 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2COCCN2C)C1 ZINC001079598632 781304624 /nfs/dbraw/zinc/30/46/24/781304624.db2.gz JUUJZRAJQKVQJA-RAIGVLPGSA-N 1 2 346.269 0.662 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ncccc3O)C2)C1=O ZINC001079610551 781318356 /nfs/dbraw/zinc/31/83/56/781318356.db2.gz AGNHUJVEWHYCNO-MCIONIFRSA-N 1 2 344.415 0.624 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ncccc3O)C2)C1=O ZINC001079610551 781318360 /nfs/dbraw/zinc/31/83/60/781318360.db2.gz AGNHUJVEWHYCNO-MCIONIFRSA-N 1 2 344.415 0.624 20 30 ECEDLO N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001041426072 781482494 /nfs/dbraw/zinc/48/24/94/781482494.db2.gz NHWOYQBLXKBSOA-HZPDHXFCSA-N 1 2 348.366 0.809 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@H]1O ZINC001077698136 781537513 /nfs/dbraw/zinc/53/75/13/781537513.db2.gz UYPMWEVPXRCGSM-TUVASFSCSA-N 1 2 335.404 0.544 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@H]1O ZINC001077698136 781537520 /nfs/dbraw/zinc/53/75/20/781537520.db2.gz UYPMWEVPXRCGSM-TUVASFSCSA-N 1 2 335.404 0.544 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)ns2)C[C@H]1O ZINC001077698868 781538843 /nfs/dbraw/zinc/53/88/43/781538843.db2.gz DIRNETLYDUWSOP-TUVASFSCSA-N 1 2 337.445 0.704 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ns2)C[C@H]1O ZINC001077698868 781538847 /nfs/dbraw/zinc/53/88/47/781538847.db2.gz DIRNETLYDUWSOP-TUVASFSCSA-N 1 2 337.445 0.704 20 30 ECEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)O1 ZINC001077701079 781543054 /nfs/dbraw/zinc/54/30/54/781543054.db2.gz GWLCOUGLRKIYKH-JUDXGUMMSA-N 1 2 335.429 0.849 20 30 ECEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)O1 ZINC001077701079 781543059 /nfs/dbraw/zinc/54/30/59/781543059.db2.gz GWLCOUGLRKIYKH-JUDXGUMMSA-N 1 2 335.429 0.849 20 30 ECEDLO C[C@@H](CCNC(=O)CCc1[nH+]ccn1C)NC(=O)c1cc(C#N)c[nH]1 ZINC001077791481 781702940 /nfs/dbraw/zinc/70/29/40/781702940.db2.gz LEMCJKOINMECFX-LBPRGKRZSA-N 1 2 342.403 0.877 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001077821931 781759213 /nfs/dbraw/zinc/75/92/13/781759213.db2.gz OLNWYKBAPLCOBP-JJXSEGSLSA-N 1 2 334.420 0.063 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1O ZINC001077821931 781759218 /nfs/dbraw/zinc/75/92/18/781759218.db2.gz OLNWYKBAPLCOBP-JJXSEGSLSA-N 1 2 334.420 0.063 20 30 ECEDLO C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001040728669 783339624 /nfs/dbraw/zinc/33/96/24/783339624.db2.gz DBOFWWZKHBZAGR-QGZVFWFLSA-N 1 2 334.420 0.778 20 30 ECEDLO C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001040728669 783339635 /nfs/dbraw/zinc/33/96/35/783339635.db2.gz DBOFWWZKHBZAGR-QGZVFWFLSA-N 1 2 334.420 0.778 20 30 ECEDLO C=CCCCC(=O)NC[C@]1(O)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001040730635 783343486 /nfs/dbraw/zinc/34/34/86/783343486.db2.gz ZVUWNBPZFGHLFJ-QGZVFWFLSA-N 1 2 334.420 0.709 20 30 ECEDLO C[C@H](C#N)C(=O)NC1(CNC(=O)CCc2[nH]cc[nH+]2)CCOCC1 ZINC001070231558 783705425 /nfs/dbraw/zinc/70/54/25/783705425.db2.gz ZILUGQSTJBATBC-GFCCVEGCSA-N 1 2 333.392 0.284 20 30 ECEDLO C[C@@H](C#N)C(=O)NC1(CNC(=O)CCc2[nH]cc[nH+]2)CCOCC1 ZINC001070231559 783705503 /nfs/dbraw/zinc/70/55/03/783705503.db2.gz ZILUGQSTJBATBC-LBPRGKRZSA-N 1 2 333.392 0.284 20 30 ECEDLO C[C@H](C#N)C(=O)NC1(CNC(=O)CCc2c[nH+]cn2C)CCOCC1 ZINC001070232113 783706028 /nfs/dbraw/zinc/70/60/28/783706028.db2.gz BZDMLOMTYMKODO-CYBMUJFWSA-N 1 2 347.419 0.294 20 30 ECEDLO C#CCN1Cc2cnn(C3CCN(C(=O)Cc4c[nH+]c[nH]4)CC3)c2C1 ZINC001070348740 783855912 /nfs/dbraw/zinc/85/59/12/783855912.db2.gz DIWOAHQDOODGPD-UHFFFAOYSA-N 1 2 338.415 0.961 20 30 ECEDLO C#CC[N@H+]1C[C@@H](c2nc(CNC(=O)c3cnco3)n[nH]2)[C@H](C2CC2)C1 ZINC001070352310 783866986 /nfs/dbraw/zinc/86/69/86/783866986.db2.gz PRRJXUHDKQSEHP-QWHCGFSZSA-N 1 2 340.387 0.781 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](c2nc(CNC(=O)c3cnco3)n[nH]2)[C@H](C2CC2)C1 ZINC001070352310 783866992 /nfs/dbraw/zinc/86/69/92/783866992.db2.gz PRRJXUHDKQSEHP-QWHCGFSZSA-N 1 2 340.387 0.781 20 30 ECEDLO O=C(NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@H]1CCNC(=O)C1 ZINC001038160595 783931074 /nfs/dbraw/zinc/93/10/74/783931074.db2.gz GQWJPKCKERXEHU-IRXDYDNUSA-N 1 2 325.412 0.755 20 30 ECEDLO O=C(NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[C@H]1CCNC(=O)C1 ZINC001038160595 783931079 /nfs/dbraw/zinc/93/10/79/783931079.db2.gz GQWJPKCKERXEHU-IRXDYDNUSA-N 1 2 325.412 0.755 20 30 ECEDLO CC(C)N1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)C1=O ZINC001038171653 783947144 /nfs/dbraw/zinc/94/71/44/783947144.db2.gz BEHMOXHDVPOZNY-DZGCQCFKSA-N 1 2 329.404 0.700 20 30 ECEDLO CC(C)N1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)C1=O ZINC001038171653 783947149 /nfs/dbraw/zinc/94/71/49/783947149.db2.gz BEHMOXHDVPOZNY-DZGCQCFKSA-N 1 2 329.404 0.700 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CN(C(=O)c1ccn[nH]1)C[C@H]2c1nnc(C)[nH]1 ZINC001070440038 784076631 /nfs/dbraw/zinc/07/66/31/784076631.db2.gz ADGWNYWHWJEEHY-ZDUSSCGKSA-N 1 2 341.419 0.954 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CN(C(=O)c1cc[nH]n1)C[C@H]2c1nnc(C)[nH]1 ZINC001070440038 784076638 /nfs/dbraw/zinc/07/66/38/784076638.db2.gz ADGWNYWHWJEEHY-ZDUSSCGKSA-N 1 2 341.419 0.954 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cccnc2)C1 ZINC001070901883 784080194 /nfs/dbraw/zinc/08/01/94/784080194.db2.gz NMCNIKZGJRJXEX-XHSDSOJGSA-N 1 2 342.399 0.987 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cccnc2)C1 ZINC001070901883 784080201 /nfs/dbraw/zinc/08/02/01/784080201.db2.gz NMCNIKZGJRJXEX-XHSDSOJGSA-N 1 2 342.399 0.987 20 30 ECEDLO CC#CC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)OC)C[C@@H]2c1nnc(C)[nH]1 ZINC001070441248 784080489 /nfs/dbraw/zinc/08/04/89/784080489.db2.gz RKWLRPGFMGIGJC-TZMCWYRMSA-N 1 2 331.420 0.399 20 30 ECEDLO CC#CC[NH+]1CC2(C1)CN(C(=O)C#CC1CC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070444051 784091851 /nfs/dbraw/zinc/09/18/51/784091851.db2.gz GCUTXPLBLDXRQP-MRXNPFEDSA-N 1 2 337.427 0.778 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCCO1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070444414 784094216 /nfs/dbraw/zinc/09/42/16/784094216.db2.gz PPPJGCZMBOXOAY-HUUCEWRRSA-N 1 2 343.431 0.543 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1ccns1)C[C@H]2c1nnc(C)[nH]1 ZINC001070445754 784097497 /nfs/dbraw/zinc/09/74/97/784097497.db2.gz JVIYFRRNPUVYOY-LBPRGKRZSA-N 1 2 342.428 0.744 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCn2ccccc2=O)CC1 ZINC001070968177 784259272 /nfs/dbraw/zinc/25/92/72/784259272.db2.gz RWUPEVRBPGQMBD-UHFFFAOYSA-N 1 2 346.431 0.075 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCn2ccccc2=O)CC1 ZINC001070968177 784259279 /nfs/dbraw/zinc/25/92/79/784259279.db2.gz RWUPEVRBPGQMBD-UHFFFAOYSA-N 1 2 346.431 0.075 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001070553287 784264532 /nfs/dbraw/zinc/26/45/32/784264532.db2.gz ICFSKMOABSFNFG-LSDHHAIUSA-N 1 2 346.431 0.755 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2cc3n(n2)CCC3)CC1 ZINC001070969560 784265484 /nfs/dbraw/zinc/26/54/84/784265484.db2.gz XCVWHQWTLVXWDD-UHFFFAOYSA-N 1 2 345.447 0.670 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2cc3n(n2)CCC3)CC1 ZINC001070969560 784265489 /nfs/dbraw/zinc/26/54/89/784265489.db2.gz XCVWHQWTLVXWDD-UHFFFAOYSA-N 1 2 345.447 0.670 20 30 ECEDLO N#CCN1CCNC(=O)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001070973859 784284155 /nfs/dbraw/zinc/28/41/55/784284155.db2.gz XNGRCULXAFRQFM-UHFFFAOYSA-N 1 2 340.387 0.351 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cnc(C)n2C)CC1 ZINC001070992403 784344658 /nfs/dbraw/zinc/34/46/58/784344658.db2.gz HKZDJVINDYLVEP-UHFFFAOYSA-N 1 2 331.420 0.016 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cnc(C)n2C)CC1 ZINC001070992403 784344668 /nfs/dbraw/zinc/34/46/68/784344668.db2.gz HKZDJVINDYLVEP-UHFFFAOYSA-N 1 2 331.420 0.016 20 30 ECEDLO Cc1noc(CN[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2c[nH+]cn2C)n1 ZINC001070630295 784461643 /nfs/dbraw/zinc/46/16/43/784461643.db2.gz KVKCRLIHQNHEOE-CYZMBNFOSA-N 1 2 343.391 0.355 20 30 ECEDLO COc1ccc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)cn1 ZINC001070667064 784522947 /nfs/dbraw/zinc/52/29/47/784522947.db2.gz PCPKXXAWCGLVAZ-ZIAGYGMSSA-N 1 2 340.387 0.545 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001071084481 784526520 /nfs/dbraw/zinc/52/65/20/784526520.db2.gz VVMSIBAITAOXQP-CQSZACIVSA-N 1 2 334.420 0.663 20 30 ECEDLO CCCc1cc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)[nH]n1 ZINC001070675464 784535830 /nfs/dbraw/zinc/53/58/30/784535830.db2.gz CTOLTJRGQIJEAF-UKRRQHHQSA-N 1 2 341.419 0.817 20 30 ECEDLO Cc1cc(=O)[nH]cc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070688919 784553907 /nfs/dbraw/zinc/55/39/07/784553907.db2.gz ZIRJRSWJGWYNKB-ZIAGYGMSSA-N 1 2 340.387 0.551 20 30 ECEDLO Cc1ccc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)c(=O)[nH]1 ZINC001070693311 784562270 /nfs/dbraw/zinc/56/22/70/784562270.db2.gz CEQMOZMLVMELHK-ZIAGYGMSSA-N 1 2 340.387 0.551 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CCc2ncccn2)C[C@H]1NCC#N ZINC001070704743 784571744 /nfs/dbraw/zinc/57/17/44/784571744.db2.gz ITCOUSCJSMVHFK-ZIAGYGMSSA-N 1 2 339.403 0.250 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001070730310 784615841 /nfs/dbraw/zinc/61/58/41/784615841.db2.gz BUASGTHMOHWENH-JKSUJKDBSA-N 1 2 346.431 0.981 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)O[C@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001071171805 784653792 /nfs/dbraw/zinc/65/37/92/784653792.db2.gz RXMFQUADZULTCI-BZNIZROVSA-N 1 2 343.855 0.942 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)O[C@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001071171805 784653795 /nfs/dbraw/zinc/65/37/95/784653795.db2.gz RXMFQUADZULTCI-BZNIZROVSA-N 1 2 343.855 0.942 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H](C)O[C@]3(CC[N@H+](CC(N)=O)C3)C2)cc1 ZINC001071197169 784715477 /nfs/dbraw/zinc/71/54/77/784715477.db2.gz ODJUBTIJGOGCFB-LIRRHRJNSA-N 1 2 341.411 0.459 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H](C)O[C@]3(CC[N@@H+](CC(N)=O)C3)C2)cc1 ZINC001071197169 784715479 /nfs/dbraw/zinc/71/54/79/784715479.db2.gz ODJUBTIJGOGCFB-LIRRHRJNSA-N 1 2 341.411 0.459 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)c1nnn(C)n1)C[C@@H](C)O2 ZINC001071197206 784715853 /nfs/dbraw/zinc/71/58/53/784715853.db2.gz OPNVXTLMCWMUDR-BXUZGUMPSA-N 1 2 340.815 0.268 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1nnn(C)n1)C[C@@H](C)O2 ZINC001071197206 784715860 /nfs/dbraw/zinc/71/58/60/784715860.db2.gz OPNVXTLMCWMUDR-BXUZGUMPSA-N 1 2 340.815 0.268 20 30 ECEDLO C=C(C)CN1CCN([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C(=O)C1 ZINC001071273675 784909749 /nfs/dbraw/zinc/90/97/49/784909749.db2.gz DAGMCJMUBFXHTB-INIZCTEOSA-N 1 2 345.447 0.664 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)C(=O)C1 ZINC001071274216 784912141 /nfs/dbraw/zinc/91/21/41/784912141.db2.gz SNCYTLQCUYQAOH-IXDOHACOSA-N 1 2 347.459 0.712 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)C(=O)C1 ZINC001071274216 784912144 /nfs/dbraw/zinc/91/21/44/784912144.db2.gz SNCYTLQCUYQAOH-IXDOHACOSA-N 1 2 347.459 0.712 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3nccs3)C2)C(=O)C1 ZINC001071275999 784918633 /nfs/dbraw/zinc/91/86/33/784918633.db2.gz WFKDYYVDYQMNKJ-CQSZACIVSA-N 1 2 346.456 0.915 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3nccs3)C2)C(=O)C1 ZINC001071275999 784918639 /nfs/dbraw/zinc/91/86/39/784918639.db2.gz WFKDYYVDYQMNKJ-CQSZACIVSA-N 1 2 346.456 0.915 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)Cc3ccco3)C2)C(=O)C1 ZINC001071277573 784924731 /nfs/dbraw/zinc/92/47/31/784924731.db2.gz YWJGMJJGDMZKMI-INIZCTEOSA-N 1 2 343.427 0.981 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)Cc3ccco3)C2)C(=O)C1 ZINC001071277573 784924735 /nfs/dbraw/zinc/92/47/35/784924735.db2.gz YWJGMJJGDMZKMI-INIZCTEOSA-N 1 2 343.427 0.981 20 30 ECEDLO C=CCCC(=O)N[C@@H]1COC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001068757478 791079683 /nfs/dbraw/zinc/07/96/83/791079683.db2.gz VMYBCFPERLYGST-AWEZNQCLSA-N 1 2 332.404 0.795 20 30 ECEDLO C=CCCC(=O)N[C@@H]1COC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001068757478 791079691 /nfs/dbraw/zinc/07/96/91/791079691.db2.gz VMYBCFPERLYGST-AWEZNQCLSA-N 1 2 332.404 0.795 20 30 ECEDLO C=CCCC(=O)N[C@H]1COC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001068757533 791079919 /nfs/dbraw/zinc/07/99/19/791079919.db2.gz WULUBUCYRAPSJK-CQSZACIVSA-N 1 2 332.404 0.726 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@H]1C ZINC001071519087 785238872 /nfs/dbraw/zinc/23/88/72/785238872.db2.gz VFXVQYPLIJGDRD-GHMZBOCLSA-N 1 2 340.815 0.099 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@H]1C ZINC001071519087 785238873 /nfs/dbraw/zinc/23/88/73/785238873.db2.gz VFXVQYPLIJGDRD-GHMZBOCLSA-N 1 2 340.815 0.099 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001072514027 786309710 /nfs/dbraw/zinc/30/97/10/786309710.db2.gz VNEZYPJRVVSTAL-ZFWWWQNUSA-N 1 2 334.420 0.518 20 30 ECEDLO CC(C)C#CC(=O)N[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001072516890 786316232 /nfs/dbraw/zinc/31/62/32/786316232.db2.gz ZYBAOFRPMOSTPG-HOCLYGCPSA-N 1 2 330.432 0.975 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cncc4nc[nH]c43)C[C@@H]21 ZINC001074244748 786498908 /nfs/dbraw/zinc/49/89/08/786498908.db2.gz JWFUYLQNTZFCJF-HOTGVXAUSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cncc4nc[nH]c43)C[C@@H]21 ZINC001074244748 786498912 /nfs/dbraw/zinc/49/89/12/786498912.db2.gz JWFUYLQNTZFCJF-HOTGVXAUSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnc(N(C)C)cn3)C[C@H]21 ZINC001074244885 786499239 /nfs/dbraw/zinc/49/92/39/786499239.db2.gz KRUYOVHHJMUVBD-HZPDHXFCSA-N 1 2 343.431 0.481 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnc(N(C)C)cn3)C[C@H]21 ZINC001074244885 786499242 /nfs/dbraw/zinc/49/92/42/786499242.db2.gz KRUYOVHHJMUVBD-HZPDHXFCSA-N 1 2 343.431 0.481 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3cc(OC)no3)C[C@H]21 ZINC001074256461 786527441 /nfs/dbraw/zinc/52/74/41/786527441.db2.gz TWSHJDCTAQAYQW-HZPDHXFCSA-N 1 2 347.415 0.941 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3cc(OC)no3)C[C@H]21 ZINC001074256461 786527443 /nfs/dbraw/zinc/52/74/43/786527443.db2.gz TWSHJDCTAQAYQW-HZPDHXFCSA-N 1 2 347.415 0.941 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3cc(C4CC4)nn3)C[C@H]21 ZINC001074266565 786547183 /nfs/dbraw/zinc/54/71/83/786547183.db2.gz MSBKDDBWMPKFOC-IAGOWNOFSA-N 1 2 343.431 0.481 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3cc(C4CC4)nn3)C[C@H]21 ZINC001074266565 786547188 /nfs/dbraw/zinc/54/71/88/786547188.db2.gz MSBKDDBWMPKFOC-IAGOWNOFSA-N 1 2 343.431 0.481 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4nc[nH]c4n3)C[C@H]21 ZINC001074273533 786562489 /nfs/dbraw/zinc/56/24/89/786562489.db2.gz KVJSIVLZLFUDDA-HZPDHXFCSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4nc[nH]c4n3)C[C@H]21 ZINC001074273533 786562494 /nfs/dbraw/zinc/56/24/94/786562494.db2.gz KVJSIVLZLFUDDA-HZPDHXFCSA-N 1 2 339.399 0.897 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@H]21 ZINC001074274684 786565746 /nfs/dbraw/zinc/56/57/46/786565746.db2.gz VTBBYWIKUODWLD-CABCVRRESA-N 1 2 346.431 0.878 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@H]21 ZINC001074274684 786565754 /nfs/dbraw/zinc/56/57/54/786565754.db2.gz VTBBYWIKUODWLD-CABCVRRESA-N 1 2 346.431 0.878 20 30 ECEDLO C=CCCC(=O)N1CCN(C2CN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001073552608 786568648 /nfs/dbraw/zinc/56/86/48/786568648.db2.gz DIRGYHKNODTKPJ-UHFFFAOYSA-N 1 2 345.447 0.594 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N1CC[C@@H]2OCCN(CC#N)[C@@H]2C1 ZINC001074277120 786571558 /nfs/dbraw/zinc/57/15/58/786571558.db2.gz XDKYGJQGCRAKOE-ZBFHGGJFSA-N 1 2 330.388 0.458 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N1CC[C@H]2OCCN(CC#N)[C@H]2C1 ZINC001074277116 786571847 /nfs/dbraw/zinc/57/18/47/786571847.db2.gz XDKYGJQGCRAKOE-GOEBONIOSA-N 1 2 330.388 0.458 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C[C@H]21 ZINC001074281984 786583738 /nfs/dbraw/zinc/58/37/38/786583738.db2.gz KVBIJFSDCFFBBA-HZPDHXFCSA-N 1 2 328.416 0.837 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C[C@H]21 ZINC001074281984 786583741 /nfs/dbraw/zinc/58/37/41/786583741.db2.gz KVBIJFSDCFFBBA-HZPDHXFCSA-N 1 2 328.416 0.837 20 30 ECEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)o3)C[C@H]21 ZINC001074294709 786616427 /nfs/dbraw/zinc/61/64/27/786616427.db2.gz RMDUTKLLNRXNSR-OLZOCXBDSA-N 1 2 333.388 0.870 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)o3)C[C@H]21 ZINC001074294709 786616432 /nfs/dbraw/zinc/61/64/32/786616432.db2.gz RMDUTKLLNRXNSR-OLZOCXBDSA-N 1 2 333.388 0.870 20 30 ECEDLO C#CCCCC(=O)N1CCN(C2CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001073565324 786621811 /nfs/dbraw/zinc/62/18/11/786621811.db2.gz CFJOUSBUUHGJLL-UHFFFAOYSA-N 1 2 343.431 0.111 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3c(C)nn(C)c3C)C[C@@H]21 ZINC001074307607 786641941 /nfs/dbraw/zinc/64/19/41/786641941.db2.gz LSCROLCRAWHQHX-HOTGVXAUSA-N 1 2 330.432 0.976 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3c(C)nn(C)c3C)C[C@@H]21 ZINC001074307607 786641950 /nfs/dbraw/zinc/64/19/50/786641950.db2.gz LSCROLCRAWHQHX-HOTGVXAUSA-N 1 2 330.432 0.976 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnn4cccnc34)C[C@@H]21 ZINC001074311777 786651352 /nfs/dbraw/zinc/65/13/52/786651352.db2.gz CEWTYRGUEIXVNZ-JKSUJKDBSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnn4cccnc34)C[C@@H]21 ZINC001074311777 786651358 /nfs/dbraw/zinc/65/13/58/786651358.db2.gz CEWTYRGUEIXVNZ-JKSUJKDBSA-N 1 2 339.399 0.668 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)COc3cnn(C)c3)C[C@@H]21 ZINC001074322781 786673139 /nfs/dbraw/zinc/67/31/39/786673139.db2.gz XSWFFLGGAMTQSM-HOTGVXAUSA-N 1 2 334.420 0.677 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)COc3cnn(C)c3)C[C@@H]21 ZINC001074322781 786673147 /nfs/dbraw/zinc/67/31/47/786673147.db2.gz XSWFFLGGAMTQSM-HOTGVXAUSA-N 1 2 334.420 0.677 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3ncccc3OC)C[C@@H]21 ZINC001074322663 786673431 /nfs/dbraw/zinc/67/34/31/786673431.db2.gz XOXXFRHHRIMGEO-FUHWJXTLSA-N 1 2 343.427 0.958 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3ncccc3OC)C[C@@H]21 ZINC001074322663 786673436 /nfs/dbraw/zinc/67/34/36/786673436.db2.gz XOXXFRHHRIMGEO-FUHWJXTLSA-N 1 2 343.427 0.958 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)COc3cnn(C)c3)C[C@@H]21 ZINC001074322837 786674187 /nfs/dbraw/zinc/67/41/87/786674187.db2.gz YHLLVRFYBYUQDQ-HOTGVXAUSA-N 1 2 332.404 0.124 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)COc3cnn(C)c3)C[C@@H]21 ZINC001074322837 786674194 /nfs/dbraw/zinc/67/41/94/786674194.db2.gz YHLLVRFYBYUQDQ-HOTGVXAUSA-N 1 2 332.404 0.124 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(=O)n(C)o2)C1 ZINC001073585302 786693331 /nfs/dbraw/zinc/69/33/31/786693331.db2.gz FIHGAMBAJUCBKX-NSHDSACASA-N 1 2 329.784 0.552 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2cc(=O)n(C)o2)C1 ZINC001073585302 786693337 /nfs/dbraw/zinc/69/33/37/786693337.db2.gz FIHGAMBAJUCBKX-NSHDSACASA-N 1 2 329.784 0.552 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@@H]21 ZINC001074340526 786709491 /nfs/dbraw/zinc/70/94/91/786709491.db2.gz KBJFHOSVZPCOFU-LSDHHAIUSA-N 1 2 330.388 0.052 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@@H]21 ZINC001074340526 786709495 /nfs/dbraw/zinc/70/94/95/786709495.db2.gz KBJFHOSVZPCOFU-LSDHHAIUSA-N 1 2 330.388 0.052 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]c(=O)cc3OC)C[C@@H]21 ZINC001074341225 786710624 /nfs/dbraw/zinc/71/06/24/786710624.db2.gz QQWXLSTVIGFHSX-LSDHHAIUSA-N 1 2 345.399 0.734 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]c(=O)cc3OC)C[C@@H]21 ZINC001074341225 786710627 /nfs/dbraw/zinc/71/06/27/786710627.db2.gz QQWXLSTVIGFHSX-LSDHHAIUSA-N 1 2 345.399 0.734 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCc3cn(C)nc3C)C[C@H]21 ZINC001074351790 786734554 /nfs/dbraw/zinc/73/45/54/786734554.db2.gz UDQCELPJEUPXTL-MSOLQXFVSA-N 1 2 344.459 0.986 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCc3cn(C)nc3C)C[C@H]21 ZINC001074351790 786734563 /nfs/dbraw/zinc/73/45/63/786734563.db2.gz UDQCELPJEUPXTL-MSOLQXFVSA-N 1 2 344.459 0.986 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)C[C@H]21 ZINC001074364304 786763420 /nfs/dbraw/zinc/76/34/20/786763420.db2.gz VNBBAFPUNJNHKZ-HZPDHXFCSA-N 1 2 346.431 0.755 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)C[C@H]21 ZINC001074364304 786763427 /nfs/dbraw/zinc/76/34/27/786763427.db2.gz VNBBAFPUNJNHKZ-HZPDHXFCSA-N 1 2 346.431 0.755 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001073668086 786921228 /nfs/dbraw/zinc/92/12/28/786921228.db2.gz VZFCDUXJNYWYDD-CHWSQXEVSA-N 1 2 329.828 0.472 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001073668086 786921231 /nfs/dbraw/zinc/92/12/31/786921231.db2.gz VZFCDUXJNYWYDD-CHWSQXEVSA-N 1 2 329.828 0.472 20 30 ECEDLO C=CCCC(=O)N1CCC(O)(CNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001074510645 787128719 /nfs/dbraw/zinc/12/87/19/787128719.db2.gz LQQFYSDOQQQDTG-UHFFFAOYSA-N 1 2 348.447 0.789 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2C[N@H+](CCF)CCCO2)nn1 ZINC001073813308 787245931 /nfs/dbraw/zinc/24/59/31/787245931.db2.gz VDDOBSMFDQWBQU-ZDUSSCGKSA-N 1 2 325.388 0.644 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2C[N@@H+](CCF)CCCO2)nn1 ZINC001073813308 787245933 /nfs/dbraw/zinc/24/59/33/787245933.db2.gz VDDOBSMFDQWBQU-ZDUSSCGKSA-N 1 2 325.388 0.644 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001073871003 787408657 /nfs/dbraw/zinc/40/86/57/787408657.db2.gz CDPBQCPCVWUUHF-LSDHHAIUSA-N 1 2 343.855 0.814 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001073871003 787408662 /nfs/dbraw/zinc/40/86/62/787408662.db2.gz CDPBQCPCVWUUHF-LSDHHAIUSA-N 1 2 343.855 0.814 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC001074024541 787708879 /nfs/dbraw/zinc/70/88/79/787708879.db2.gz FPRXSINBJRBBOL-HOCLYGCPSA-N 1 2 346.431 0.735 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC001074024541 787708884 /nfs/dbraw/zinc/70/88/84/787708884.db2.gz FPRXSINBJRBBOL-HOCLYGCPSA-N 1 2 346.431 0.735 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC001074025630 787712915 /nfs/dbraw/zinc/71/29/15/787712915.db2.gz WBARVQUWHXTJRR-ZFWWWQNUSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC001074025630 787712922 /nfs/dbraw/zinc/71/29/22/787712922.db2.gz WBARVQUWHXTJRR-ZFWWWQNUSA-N 1 2 334.420 0.898 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001074080466 787829676 /nfs/dbraw/zinc/82/96/76/787829676.db2.gz SHZPPRKMEQJPSK-TZMCWYRMSA-N 1 2 349.460 0.573 20 30 ECEDLO Cc1nonc1C[N@@H+]1CCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001072639872 788485051 /nfs/dbraw/zinc/48/50/51/788485051.db2.gz VMIQNEUMHXOZMO-UHFFFAOYSA-N 1 2 326.360 0.926 20 30 ECEDLO Cc1nonc1C[N@H+]1CCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001072639872 788485056 /nfs/dbraw/zinc/48/50/56/788485056.db2.gz VMIQNEUMHXOZMO-UHFFFAOYSA-N 1 2 326.360 0.926 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC001074891901 788498271 /nfs/dbraw/zinc/49/82/71/788498271.db2.gz MCDRPAAVRUXORI-KBPBESRZSA-N 1 2 334.420 0.661 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)C#CC2CC2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001074981646 788661095 /nfs/dbraw/zinc/66/10/95/788661095.db2.gz KAGPBWYZCHGSIB-DZGCQCFKSA-N 1 2 328.416 0.872 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001075048890 788797244 /nfs/dbraw/zinc/79/72/44/788797244.db2.gz UOHLEGNEEFTILU-CABCVRRESA-N 1 2 334.420 0.972 20 30 ECEDLO CC1(NC(=O)Cc2[nH]cc[nH+]2)CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001072952160 789157301 /nfs/dbraw/zinc/15/73/01/789157301.db2.gz HNMLTTDNNTVPHK-UHFFFAOYSA-N 1 2 340.387 0.963 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1nnnn1C)C2 ZINC001072994488 789245451 /nfs/dbraw/zinc/24/54/51/789245451.db2.gz DEZMJTQGDGWCKC-MCIONIFRSA-N 1 2 346.435 0.397 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1nnnn1C)C2 ZINC001072994488 789245457 /nfs/dbraw/zinc/24/54/57/789245457.db2.gz DEZMJTQGDGWCKC-MCIONIFRSA-N 1 2 346.435 0.397 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC([C@@H]2C[C@@H](NCC#N)CCO2)CC1 ZINC001075397985 789325320 /nfs/dbraw/zinc/32/53/20/789325320.db2.gz VFLDZLBHQIUEDM-RDJZCZTQSA-N 1 2 345.447 0.862 20 30 ECEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)c3cnn(C)n3)C2)C1 ZINC001073058411 789366871 /nfs/dbraw/zinc/36/68/71/789366871.db2.gz NTEYSHKTUSNDJD-UHFFFAOYSA-N 1 2 340.225 0.872 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)c3cnn(C)n3)C2)C1 ZINC001073058411 789366882 /nfs/dbraw/zinc/36/68/82/789366882.db2.gz NTEYSHKTUSNDJD-UHFFFAOYSA-N 1 2 340.225 0.872 20 30 ECEDLO CC#CC[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001073107592 789451553 /nfs/dbraw/zinc/45/15/53/789451553.db2.gz VPJNVPBNDUOIJG-HNNXBMFYSA-N 1 2 338.473 0.759 20 30 ECEDLO CC#CC[N@H+]1CCC2(CN(C(=O)C[C@@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001073107592 789451559 /nfs/dbraw/zinc/45/15/59/789451559.db2.gz VPJNVPBNDUOIJG-HNNXBMFYSA-N 1 2 338.473 0.759 20 30 ECEDLO C=CCCOCC(=O)NC1(C)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001073130319 789495346 /nfs/dbraw/zinc/49/53/46/789495346.db2.gz QZFDBTXCTUINJP-UHFFFAOYSA-N 1 2 334.420 0.973 20 30 ECEDLO C[C@H]1C[C@@H](Nc2ccnc(C#N)n2)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001069220960 789673390 /nfs/dbraw/zinc/67/33/90/789673390.db2.gz HFHFCFQLHCSMKP-WCQYABFASA-N 1 2 325.376 0.527 20 30 ECEDLO C[C@H]1C[C@@H](Nc2ccnc(C#N)n2)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001069220960 789673391 /nfs/dbraw/zinc/67/33/91/789673391.db2.gz HFHFCFQLHCSMKP-WCQYABFASA-N 1 2 325.376 0.527 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001073276832 789692777 /nfs/dbraw/zinc/69/27/77/789692777.db2.gz DTQRYAVQOUIMRI-KRWDZBQOSA-N 1 2 334.420 0.777 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCCN1c1ccnc(C#N)n1 ZINC001069376556 789784161 /nfs/dbraw/zinc/78/41/61/789784161.db2.gz ZKRMFEFZLCWIEV-OLZOCXBDSA-N 1 2 325.376 0.718 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1c1cnc(C#N)cn1 ZINC001069383687 789789243 /nfs/dbraw/zinc/78/92/43/789789243.db2.gz NCTWMUXDRYPVQE-DGCLKSJQSA-N 1 2 325.376 0.788 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC1(CC)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001069452640 789831093 /nfs/dbraw/zinc/83/10/93/789831093.db2.gz UDSTYAHGTQIKEC-HNNXBMFYSA-N 1 2 346.431 0.809 20 30 ECEDLO N#Cc1ccc(NC[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001069476286 789851285 /nfs/dbraw/zinc/85/12/85/789851285.db2.gz SXRPQTDGVLHRED-STQMWFEESA-N 1 2 325.376 0.942 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](CNc2ccnc(C#N)n2)C1 ZINC001069478454 789851533 /nfs/dbraw/zinc/85/15/33/789851533.db2.gz QPJNRGFEWRCXAS-QWHCGFSZSA-N 1 2 339.403 0.741 20 30 ECEDLO N#Cc1nccc(NC[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001069511363 789870849 /nfs/dbraw/zinc/87/08/49/789870849.db2.gz YGLQFGLNOIQHHJ-NEPJUHHUSA-N 1 2 325.376 0.433 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3nnn(C)c3C)c2C1 ZINC001069856199 790105328 /nfs/dbraw/zinc/10/53/28/790105328.db2.gz KRORVBCZOCTUPZ-UHFFFAOYSA-N 1 2 329.408 0.642 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3nnn(C)c3C)c2C1 ZINC001069856199 790105331 /nfs/dbraw/zinc/10/53/31/790105331.db2.gz KRORVBCZOCTUPZ-UHFFFAOYSA-N 1 2 329.408 0.642 20 30 ECEDLO CO[C@H](C)C[N@@H+]1CCn2ncc(CNC(=O)c3cc(C#N)c[nH]3)c2C1 ZINC001069856569 790105728 /nfs/dbraw/zinc/10/57/28/790105728.db2.gz BTUYXWKJPYNQCZ-GFCCVEGCSA-N 1 2 342.403 0.863 20 30 ECEDLO CO[C@H](C)C[N@H+]1CCn2ncc(CNC(=O)c3cc(C#N)c[nH]3)c2C1 ZINC001069856569 790105730 /nfs/dbraw/zinc/10/57/30/790105730.db2.gz BTUYXWKJPYNQCZ-GFCCVEGCSA-N 1 2 342.403 0.863 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3COCCN3CC)c2C1 ZINC001069866069 790123391 /nfs/dbraw/zinc/12/33/91/790123391.db2.gz WLVKFJHGOMNUSZ-QGZVFWFLSA-N 1 2 347.463 0.612 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3COCCN3CC)c2C1 ZINC001069866069 790123396 /nfs/dbraw/zinc/12/33/96/790123396.db2.gz WLVKFJHGOMNUSZ-QGZVFWFLSA-N 1 2 347.463 0.612 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3cn(C)c(=O)cn3)c2C1 ZINC001069868450 790127418 /nfs/dbraw/zinc/12/74/18/790127418.db2.gz OJKHQGNTTUJUMI-UHFFFAOYSA-N 1 2 342.403 0.299 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3cn(C)c(=O)cn3)c2C1 ZINC001069868450 790127422 /nfs/dbraw/zinc/12/74/22/790127422.db2.gz OJKHQGNTTUJUMI-UHFFFAOYSA-N 1 2 342.403 0.299 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@@H](n2ccnn2)C1 ZINC001069958558 790240744 /nfs/dbraw/zinc/24/07/44/790240744.db2.gz KGONTGBBJKPVGF-CVEARBPZSA-N 1 2 337.387 0.996 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@@H](n2ccnn2)C1 ZINC001069958558 790240749 /nfs/dbraw/zinc/24/07/49/790240749.db2.gz KGONTGBBJKPVGF-CVEARBPZSA-N 1 2 337.387 0.996 20 30 ECEDLO N#CCN1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](n2ccnn2)C1 ZINC001069958888 790241150 /nfs/dbraw/zinc/24/11/50/790241150.db2.gz REOHKPRIIXCMRM-CABCVRRESA-N 1 2 336.359 0.333 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CCF)c2)[C@@H](n2ccnn2)C1 ZINC001069964162 790249326 /nfs/dbraw/zinc/24/93/26/790249326.db2.gz YHQGBXVZNSRLJJ-CABCVRRESA-N 1 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ZINC001068937470 791462067 /nfs/dbraw/zinc/46/20/67/791462067.db2.gz PDZBHWNIDGPOOY-HNNXBMFYSA-N 1 2 342.399 0.173 20 30 ECEDLO C[C@@H]1[C@H](Nc2ccnc(C#N)n2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001068971207 791526369 /nfs/dbraw/zinc/52/63/69/791526369.db2.gz DCDNPJXKZUVILW-DGCLKSJQSA-N 1 2 325.376 0.527 20 30 ECEDLO C[C@@H]1[C@H](Nc2ccnc(C#N)n2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001068971207 791526376 /nfs/dbraw/zinc/52/63/76/791526376.db2.gz DCDNPJXKZUVILW-DGCLKSJQSA-N 1 2 325.376 0.527 20 30 ECEDLO C#CCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)CO2 ZINC001068982688 791547163 /nfs/dbraw/zinc/54/71/63/791547163.db2.gz CFECINAMIFNLKI-CYBMUJFWSA-N 1 2 330.388 0.242 20 30 ECEDLO C[C@@H]1[C@@H](Nc2ccnc(C#N)n2)CCN1C(=O)CCc1[nH+]ccn1C ZINC001068988622 791555263 /nfs/dbraw/zinc/55/52/63/791555263.db2.gz DYLDBXDKEFQEGH-OLZOCXBDSA-N 1 2 339.403 0.538 20 30 ECEDLO C[C@H](C#N)C(=O)N[C@H]1COC2(CN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001069004650 791578399 /nfs/dbraw/zinc/57/83/99/791578399.db2.gz 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N#Cc1cnc(N2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)CC2)cn1 ZINC001066754098 792105367 /nfs/dbraw/zinc/10/53/67/792105367.db2.gz WNUBRRYPGWNVEM-CYBMUJFWSA-N 1 2 325.376 0.720 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1)c1ncccc1C#N ZINC001067748911 792221484 /nfs/dbraw/zinc/22/14/84/792221484.db2.gz HWWMWPINPXDXRH-HOTGVXAUSA-N 1 2 343.431 0.711 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1)c1ncccc1C#N ZINC001067748911 792221489 /nfs/dbraw/zinc/22/14/89/792221489.db2.gz HWWMWPINPXDXRH-HOTGVXAUSA-N 1 2 343.431 0.711 20 30 ECEDLO CN(CCCN(C)C(=O)CSCC#N)C(=O)CCc1c[nH]c[nH+]1 ZINC001066873162 792244858 /nfs/dbraw/zinc/24/48/58/792244858.db2.gz GQHWFAIHUSTICT-UHFFFAOYSA-N 1 2 337.449 0.906 20 30 ECEDLO CN(CCCN(C)C(=O)CSCC#N)C(=O)CCc1c[nH+]c[nH]1 ZINC001066873162 792244866 /nfs/dbraw/zinc/24/48/66/792244866.db2.gz GQHWFAIHUSTICT-UHFFFAOYSA-N 1 2 337.449 0.906 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@@](CO)(Nc2[nH+]cnc3c2cnn3C)C1 ZINC001066892849 792299300 /nfs/dbraw/zinc/29/93/00/792299300.db2.gz NRUZFMWZBZVUGO-BDJLRTHQSA-N 1 2 343.391 0.288 20 30 ECEDLO N#Cc1cccnc1N[C@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001066910426 792360441 /nfs/dbraw/zinc/36/04/41/792360441.db2.gz OSNPRUYEDAOIAA-QGZVFWFLSA-N 1 2 340.387 0.684 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)CCCN(C)C(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001067870426 792399599 /nfs/dbraw/zinc/39/95/99/792399599.db2.gz AJRNMUOCAXQOMB-UHFFFAOYSA-N 1 2 339.399 0.949 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CN(c2cncc(C#N)n2)CC[C@@H]1C ZINC001067962834 792512289 /nfs/dbraw/zinc/51/22/89/792512289.db2.gz GCAUCCROOABNFO-NHYWBVRUSA-N 1 2 339.403 0.954 20 30 ECEDLO C[C@@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067963144 792512638 /nfs/dbraw/zinc/51/26/38/792512638.db2.gz KQVDHALSEUNWSD-DOMZBBRYSA-N 1 2 339.403 0.655 20 30 ECEDLO C[C@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067993065 792555017 /nfs/dbraw/zinc/55/50/17/792555017.db2.gz HLVBUSUXRUVOFE-FZMZJTMJSA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1Nc1ccnc(C#N)n1 ZINC001067122428 792720476 /nfs/dbraw/zinc/72/04/76/792720476.db2.gz AZQWEDHXCKKAFG-WCQYABFASA-N 1 2 325.376 0.005 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1Nc1ccnc(C#N)n1 ZINC001067217567 792832510 /nfs/dbraw/zinc/83/25/10/792832510.db2.gz KBOBKOAZEZOTQK-YPMHNXCESA-N 1 2 325.376 0.385 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1Nc1ccnc(C#N)n1 ZINC001067217567 792832521 /nfs/dbraw/zinc/83/25/21/792832521.db2.gz KBOBKOAZEZOTQK-YPMHNXCESA-N 1 2 325.376 0.385 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1Nc1cncc(C#N)n1 ZINC001067228026 792849333 /nfs/dbraw/zinc/84/93/33/792849333.db2.gz ZSOXVGGJKGSHRT-JSGCOSHPSA-N 1 2 339.403 0.973 20 30 ECEDLO C[C@H]1C[C@H](CNc2nccnc2C#N)CN1C(=O)Cn1cc[nH+]c1 ZINC001068336098 793071095 /nfs/dbraw/zinc/07/10/95/793071095.db2.gz SVFLOYOGOMZWLV-QWHCGFSZSA-N 1 2 325.376 0.894 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067405231 793109085 /nfs/dbraw/zinc/10/90/85/793109085.db2.gz FLKXBPILPLHGOZ-GXTWGEPZSA-N 1 2 339.403 0.655 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C[C@H]1C ZINC001067408272 793114450 /nfs/dbraw/zinc/11/44/50/793114450.db2.gz RIDCTOVWPDPVDA-BXUZGUMPSA-N 1 2 339.403 0.954 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)CCc1[nH+]ccn1C ZINC001067427080 793139360 /nfs/dbraw/zinc/13/93/60/793139360.db2.gz KEIUEHMTCUGGDX-HNNXBMFYSA-N 1 2 348.447 0.698 20 30 ECEDLO C[C@H]1C[C@@H](CNc2ccnc(C#N)n2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001068376635 793152022 /nfs/dbraw/zinc/15/20/22/793152022.db2.gz XWBFZZUZDYTVRG-RYUDHWBXSA-N 1 2 325.376 0.385 20 30 ECEDLO CC(C)C#CC(=O)N1CCOC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001068394993 793202373 /nfs/dbraw/zinc/20/23/73/793202373.db2.gz MGUVOQQEBFPYGX-UHFFFAOYSA-N 1 2 344.415 0.442 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCOC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001068433108 793307008 /nfs/dbraw/zinc/30/70/08/793307008.db2.gz GTNXEDPNTKIKBO-LSDHHAIUSA-N 1 2 346.431 0.781 20 30 ECEDLO CC#CCCCC(=O)N1CCOC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001068436769 793312242 /nfs/dbraw/zinc/31/22/42/793312242.db2.gz RIRBRNFJAZAGEH-UHFFFAOYSA-N 1 2 344.415 0.517 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CCC)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267481779 837536860 /nfs/dbraw/zinc/53/68/60/837536860.db2.gz LCROEYNRFDUXJB-OAGGEKHMSA-N 1 2 348.447 0.530 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CCC)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267481779 837536867 /nfs/dbraw/zinc/53/68/67/837536867.db2.gz LCROEYNRFDUXJB-OAGGEKHMSA-N 1 2 348.447 0.530 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cnon2)C1 ZINC001267548156 837744462 /nfs/dbraw/zinc/74/44/62/837744462.db2.gz ZMPYEMUILIYLSB-QWHCGFSZSA-N 1 2 333.392 0.134 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(CCC)C(=O)c2cnon2)C1 ZINC001267548156 837744468 /nfs/dbraw/zinc/74/44/68/837744468.db2.gz ZMPYEMUILIYLSB-QWHCGFSZSA-N 1 2 333.392 0.134 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCCc2ccccn2)C1 ZINC001266245453 835550823 /nfs/dbraw/zinc/55/08/23/835550823.db2.gz BDNADMZAUCFSSE-KRWDZBQOSA-N 1 2 342.443 0.734 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCCc2ccccn2)C1 ZINC001266245453 835550830 /nfs/dbraw/zinc/55/08/30/835550830.db2.gz BDNADMZAUCFSSE-KRWDZBQOSA-N 1 2 342.443 0.734 20 30 ECEDLO CCCn1nccc1C(=O)NCCN1CC[NH+](CC#CCOC)CC1 ZINC001266285781 835620615 /nfs/dbraw/zinc/62/06/15/835620615.db2.gz MXGIPNMJXVXMIC-UHFFFAOYSA-N 1 2 347.463 0.290 20 30 ECEDLO CCCn1nccc1C(=O)NCC[NH+]1CCN(CC#CCOC)CC1 ZINC001266285781 835620619 /nfs/dbraw/zinc/62/06/19/835620619.db2.gz MXGIPNMJXVXMIC-UHFFFAOYSA-N 1 2 347.463 0.290 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCN(CCNC(=O)[C@@H]3C[C@H]3CC)CC2)C1=O ZINC001266292671 835636878 /nfs/dbraw/zinc/63/68/78/835636878.db2.gz PXTOQZCCIWHCEQ-ZACQAIPSSA-N 1 2 348.491 0.553 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C2CCCC2)C1 ZINC001266299392 835655769 /nfs/dbraw/zinc/65/57/69/835655769.db2.gz PTAKEZZGHFOXJW-OCCSQVGLSA-N 1 2 336.436 0.767 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C2CCCC2)C1 ZINC001266299392 835655772 /nfs/dbraw/zinc/65/57/72/835655772.db2.gz PTAKEZZGHFOXJW-OCCSQVGLSA-N 1 2 336.436 0.767 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCC[N@@H+](C)CC(=O)NC[C@H]1CCCO1 ZINC001266306184 835670137 /nfs/dbraw/zinc/67/01/37/835670137.db2.gz GKUXTYSSVAXQFK-CQSZACIVSA-N 1 2 325.453 0.932 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCC[N@H+](C)CC(=O)NC[C@H]1CCCO1 ZINC001266306184 835670141 /nfs/dbraw/zinc/67/01/41/835670141.db2.gz GKUXTYSSVAXQFK-CQSZACIVSA-N 1 2 325.453 0.932 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cc(C)nnc2C)C1 ZINC001266321264 835692934 /nfs/dbraw/zinc/69/29/34/835692934.db2.gz NKGRSCDCEFVGOV-KBPBESRZSA-N 1 2 331.420 0.588 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cc(C)nnc2C)C1 ZINC001266321264 835692938 /nfs/dbraw/zinc/69/29/38/835692938.db2.gz NKGRSCDCEFVGOV-KBPBESRZSA-N 1 2 331.420 0.588 20 30 ECEDLO CC(C)(C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1)[C@@H]1CCCCO1 ZINC001266321251 835693656 /nfs/dbraw/zinc/69/36/56/835693656.db2.gz NAYJMKVAQVBZMW-KGLIPLIRSA-N 1 2 336.436 0.412 20 30 ECEDLO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1)[C@@H]1CCCCO1 ZINC001266321251 835693663 /nfs/dbraw/zinc/69/36/63/835693663.db2.gz NAYJMKVAQVBZMW-KGLIPLIRSA-N 1 2 336.436 0.412 20 30 ECEDLO CC(C)(C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1)[C@H]1CCCCO1 ZINC001266321252 835693676 /nfs/dbraw/zinc/69/36/76/835693676.db2.gz NAYJMKVAQVBZMW-UONOGXRCSA-N 1 2 336.436 0.412 20 30 ECEDLO CC(C)(C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1)[C@H]1CCCCO1 ZINC001266321252 835693685 /nfs/dbraw/zinc/69/36/85/835693685.db2.gz NAYJMKVAQVBZMW-UONOGXRCSA-N 1 2 336.436 0.412 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3nc[nH]c3n2)C1 ZINC001266324727 835701073 /nfs/dbraw/zinc/70/10/73/835701073.db2.gz BOCLNIVSEXOKKT-LLVKDONJSA-N 1 2 328.376 0.064 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc3nc[nH]c3n2)C1 ZINC001266324727 835701080 /nfs/dbraw/zinc/70/10/80/835701080.db2.gz BOCLNIVSEXOKKT-LLVKDONJSA-N 1 2 328.376 0.064 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC001266328490 835710623 /nfs/dbraw/zinc/71/06/23/835710623.db2.gz FUVFORYDRDWVJO-UHFFFAOYSA-N 1 2 331.376 0.634 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC001266328490 835710627 /nfs/dbraw/zinc/71/06/27/835710627.db2.gz FUVFORYDRDWVJO-UHFFFAOYSA-N 1 2 331.376 0.634 20 30 ECEDLO Cc1ccccc1CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001266344876 835734070 /nfs/dbraw/zinc/73/40/70/835734070.db2.gz NMJFHGZONAVXKG-MRXNPFEDSA-N 1 2 328.416 0.758 20 30 ECEDLO Cc1ccccc1CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001266344876 835734078 /nfs/dbraw/zinc/73/40/78/835734078.db2.gz NMJFHGZONAVXKG-MRXNPFEDSA-N 1 2 328.416 0.758 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)C(=O)NCCCC)C2)nn1 ZINC001266347487 835738907 /nfs/dbraw/zinc/73/89/07/835738907.db2.gz PMFABGHVIAMBIO-KBPBESRZSA-N 1 2 348.451 0.573 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)C(=O)NCCCC)C2)nn1 ZINC001266347487 835738918 /nfs/dbraw/zinc/73/89/18/835738918.db2.gz PMFABGHVIAMBIO-KBPBESRZSA-N 1 2 348.451 0.573 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(CCOCC)CCCC2)C1 ZINC001266350479 835746895 /nfs/dbraw/zinc/74/68/95/835746895.db2.gz UMUYBYMTKFMUSE-MRXNPFEDSA-N 1 2 349.475 0.913 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(CCOCC)CCCC2)C1 ZINC001266350479 835746899 /nfs/dbraw/zinc/74/68/99/835746899.db2.gz UMUYBYMTKFMUSE-MRXNPFEDSA-N 1 2 349.475 0.913 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)CC3CC3)C2)cn1 ZINC001266353157 835754155 /nfs/dbraw/zinc/75/41/55/835754155.db2.gz PWAYWQUFTOFKPM-QGZVFWFLSA-N 1 2 340.427 0.735 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)CC3CC3)C2)cn1 ZINC001266353157 835754162 /nfs/dbraw/zinc/75/41/62/835754162.db2.gz PWAYWQUFTOFKPM-QGZVFWFLSA-N 1 2 340.427 0.735 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(c3ccccc3)CC2)C1 ZINC001266356355 835761620 /nfs/dbraw/zinc/76/16/20/835761620.db2.gz UDPZFLHKIPKEEW-OAHLLOKOSA-N 1 2 326.400 0.548 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(c3ccccc3)CC2)C1 ZINC001266356355 835761628 /nfs/dbraw/zinc/76/16/28/835761628.db2.gz UDPZFLHKIPKEEW-OAHLLOKOSA-N 1 2 326.400 0.548 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@H](C[N@@H+](C)Cc2nncn2C)C1 ZINC001266456052 835858812 /nfs/dbraw/zinc/85/88/12/835858812.db2.gz PUKAJEXPGDBHKN-PBHICJAKSA-N 1 2 335.452 0.813 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@H](C[N@H+](C)Cc2nncn2C)C1 ZINC001266456052 835858817 /nfs/dbraw/zinc/85/88/17/835858817.db2.gz PUKAJEXPGDBHKN-PBHICJAKSA-N 1 2 335.452 0.813 20 30 ECEDLO C=CCC1(C(=O)NC[C@@H]2CC[N@@H+](Cc3nnnn3C)C2)CCOCC1 ZINC001266544665 835965220 /nfs/dbraw/zinc/96/52/20/835965220.db2.gz FVGFSDQMZQJYFN-AWEZNQCLSA-N 1 2 348.451 0.521 20 30 ECEDLO C=CCC1(C(=O)NC[C@@H]2CC[N@H+](Cc3nnnn3C)C2)CCOCC1 ZINC001266544665 835965229 /nfs/dbraw/zinc/96/52/29/835965229.db2.gz FVGFSDQMZQJYFN-AWEZNQCLSA-N 1 2 348.451 0.521 20 30 ECEDLO C=CCNC(=O)C[N@H+](CCNC(=O)[C@H]1CCn2ccnc2C1)C1CC1 ZINC001266600431 836033044 /nfs/dbraw/zinc/03/30/44/836033044.db2.gz UULKJUKBRJAHRL-AWEZNQCLSA-N 1 2 345.447 0.328 20 30 ECEDLO C=CCNC(=O)C[N@@H+](CCNC(=O)[C@H]1CCn2ccnc2C1)C1CC1 ZINC001266600431 836033058 /nfs/dbraw/zinc/03/30/58/836033058.db2.gz UULKJUKBRJAHRL-AWEZNQCLSA-N 1 2 345.447 0.328 20 30 ECEDLO CC(C)C#CC(=O)N[C@@]1(CO)CCC[N@@H+](CC(=O)NCC(C)C)C1 ZINC001279481110 836162527 /nfs/dbraw/zinc/16/25/27/836162527.db2.gz UFBNIIXYGFTAKR-SFHVURJKSA-N 1 2 337.464 0.361 20 30 ECEDLO CC(C)C#CC(=O)N[C@@]1(CO)CCC[N@H+](CC(=O)NCC(C)C)C1 ZINC001279481110 836162532 /nfs/dbraw/zinc/16/25/32/836162532.db2.gz UFBNIIXYGFTAKR-SFHVURJKSA-N 1 2 337.464 0.361 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)nn1C ZINC001266831237 836355708 /nfs/dbraw/zinc/35/57/08/836355708.db2.gz CAHFDJOADFLASU-CQSZACIVSA-N 1 2 331.420 0.062 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)nn1C ZINC001266831237 836355715 /nfs/dbraw/zinc/35/57/15/836355715.db2.gz CAHFDJOADFLASU-CQSZACIVSA-N 1 2 331.420 0.062 20 30 ECEDLO Cc1ccncc1CC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC001266844923 836373900 /nfs/dbraw/zinc/37/39/00/836373900.db2.gz QWEVSSIOWSBFIL-MRXNPFEDSA-N 1 2 343.431 0.543 20 30 ECEDLO Cc1ccncc1CC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC001266844923 836373908 /nfs/dbraw/zinc/37/39/08/836373908.db2.gz QWEVSSIOWSBFIL-MRXNPFEDSA-N 1 2 343.431 0.543 20 30 ECEDLO C#CCOCCC(=O)N[C@H](C)[C@@H]1CCC[N@H+](Cc2nnc(C)[nH]2)C1 ZINC001266890021 836438654 /nfs/dbraw/zinc/43/86/54/836438654.db2.gz IBPCFOCOMTVKJM-UKRRQHHQSA-N 1 2 333.436 0.870 20 30 ECEDLO C#CCOCCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](Cc2nnc(C)[nH]2)C1 ZINC001266890021 836438660 /nfs/dbraw/zinc/43/86/60/836438660.db2.gz IBPCFOCOMTVKJM-UKRRQHHQSA-N 1 2 333.436 0.870 20 30 ECEDLO C=C(Br)C[N@H+](C)CCOCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001283407787 836822623 /nfs/dbraw/zinc/82/26/23/836822623.db2.gz PRWKGMSFUKJVID-ITGUQSILSA-N 1 2 347.253 0.852 20 30 ECEDLO C=C(Br)C[N@@H+](C)CCOCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001283407787 836822634 /nfs/dbraw/zinc/82/26/34/836822634.db2.gz PRWKGMSFUKJVID-ITGUQSILSA-N 1 2 347.253 0.852 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)CCNC(=O)c1n[nH]c2c1CCC2 ZINC001267205507 836985457 /nfs/dbraw/zinc/98/54/57/836985457.db2.gz MVVWPHZHBCVYPM-UHFFFAOYSA-N 1 2 347.463 0.985 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)CCNC(=O)c1n[nH]c2c1CCC2 ZINC001267205507 836985465 /nfs/dbraw/zinc/98/54/65/836985465.db2.gz MVVWPHZHBCVYPM-UHFFFAOYSA-N 1 2 347.463 0.985 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cccc(-n2cccn2)n1 ZINC001267216246 837005965 /nfs/dbraw/zinc/00/59/65/837005965.db2.gz UMKSUPXFYPTSEL-UHFFFAOYSA-N 1 2 342.403 0.231 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cccc(-n2cccn2)n1 ZINC001267216246 837005971 /nfs/dbraw/zinc/00/59/71/837005971.db2.gz UMKSUPXFYPTSEL-UHFFFAOYSA-N 1 2 342.403 0.231 20 30 ECEDLO Cc1ccc2cc(C(=O)NCC[N@@H+](C)CC(=O)NCC#N)ccc2n1 ZINC001267223866 837016945 /nfs/dbraw/zinc/01/69/45/837016945.db2.gz SAHDDDUMKVCTEE-UHFFFAOYSA-N 1 2 339.399 0.845 20 30 ECEDLO Cc1ccc2cc(C(=O)NCC[N@H+](C)CC(=O)NCC#N)ccc2n1 ZINC001267223866 837016954 /nfs/dbraw/zinc/01/69/54/837016954.db2.gz SAHDDDUMKVCTEE-UHFFFAOYSA-N 1 2 339.399 0.845 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)Cn1ccc2ccccc21 ZINC001267231355 837036502 /nfs/dbraw/zinc/03/65/02/837036502.db2.gz WTVARWLGRZIECA-UHFFFAOYSA-N 1 2 326.400 0.439 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)Cn1ccc2ccccc21 ZINC001267231355 837036512 /nfs/dbraw/zinc/03/65/12/837036512.db2.gz WTVARWLGRZIECA-UHFFFAOYSA-N 1 2 326.400 0.439 20 30 ECEDLO Cn1cc(Cl)cc1C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001267269580 837109224 /nfs/dbraw/zinc/10/92/24/837109224.db2.gz BEJWFPJQASPCIJ-GFCCVEGCSA-N 1 2 337.811 0.512 20 30 ECEDLO Cn1cc(Cl)cc1C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001267269580 837109230 /nfs/dbraw/zinc/10/92/30/837109230.db2.gz BEJWFPJQASPCIJ-GFCCVEGCSA-N 1 2 337.811 0.512 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1Cc2ccccc21 ZINC001267274113 837116926 /nfs/dbraw/zinc/11/69/26/837116926.db2.gz KVKBJOVAVPNRHB-HOCLYGCPSA-N 1 2 326.400 0.547 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1Cc2ccccc21 ZINC001267274113 837116931 /nfs/dbraw/zinc/11/69/31/837116931.db2.gz KVKBJOVAVPNRHB-HOCLYGCPSA-N 1 2 326.400 0.547 20 30 ECEDLO C=CC[N@@H+]1CC[C@@H](CCNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001267584701 837858298 /nfs/dbraw/zinc/85/82/98/837858298.db2.gz ZXGAQKQOZMVNHR-GFCCVEGCSA-N 1 2 330.392 0.085 20 30 ECEDLO C=CC[N@H+]1CC[C@@H](CCNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001267584701 837858301 /nfs/dbraw/zinc/85/83/01/837858301.db2.gz ZXGAQKQOZMVNHR-GFCCVEGCSA-N 1 2 330.392 0.085 20 30 ECEDLO C=CCNC(=O)[C@@H](C)N1CC[NH+](CCN(C)C(=O)C2=CCCC2)CC1 ZINC001267606221 837945481 /nfs/dbraw/zinc/94/54/81/837945481.db2.gz QKDXOGJNDUBRRZ-MRXNPFEDSA-N 1 2 348.491 0.863 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(CCN(C)C(=O)C2=CCCC2)CC1 ZINC001267606221 837945486 /nfs/dbraw/zinc/94/54/86/837945486.db2.gz QKDXOGJNDUBRRZ-MRXNPFEDSA-N 1 2 348.491 0.863 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)c1ccnn1C1CCC1 ZINC001267607345 837950742 /nfs/dbraw/zinc/95/07/42/837950742.db2.gz FQLNXQZWPNITHA-UHFFFAOYSA-N 1 2 330.436 0.821 20 30 ECEDLO CCn1ncc(CN2CC[NH+](CCN(C)C(=O)C#CC3CC3)CC2)n1 ZINC001267607723 837951601 /nfs/dbraw/zinc/95/16/01/837951601.db2.gz SKZWSPAIDLWJTP-UHFFFAOYSA-N 1 2 344.463 0.287 20 30 ECEDLO C#CCOCCC(=O)N(C)CC[NH+]1CCN(Cc2cnoc2C)CC1 ZINC001267607651 837951611 /nfs/dbraw/zinc/95/16/11/837951611.db2.gz PJKNGDNYSHNSLQ-UHFFFAOYSA-N 1 2 348.447 0.599 20 30 ECEDLO C#CCOCCC(=O)N(C)CCN1CC[NH+](Cc2cnoc2C)CC1 ZINC001267607651 837951616 /nfs/dbraw/zinc/95/16/16/837951616.db2.gz PJKNGDNYSHNSLQ-UHFFFAOYSA-N 1 2 348.447 0.599 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)c1cc(C(F)(F)F)n[nH]1 ZINC001267612302 837979927 /nfs/dbraw/zinc/97/99/27/837979927.db2.gz DSIXRPNESUJOKW-UHFFFAOYSA-N 1 2 344.341 0.642 20 30 ECEDLO C=CCN1CC[NH+](CCN(C)C(=O)[C@H]2CCC[C@H](C(N)=O)C2)CC1 ZINC001267612261 837979999 /nfs/dbraw/zinc/97/99/99/837979999.db2.gz CXCPPQHGKRXKNT-HOTGVXAUSA-N 1 2 336.480 0.540 20 30 ECEDLO CC(C)(C)C#CC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCOC2)C1 ZINC001267614341 837989578 /nfs/dbraw/zinc/98/95/78/837989578.db2.gz GWTXTSQULVYBLV-JKSUJKDBSA-N 1 2 349.475 0.769 20 30 ECEDLO CC(C)(C)C#CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CCOC2)C1 ZINC001267614341 837989589 /nfs/dbraw/zinc/98/95/89/837989589.db2.gz GWTXTSQULVYBLV-JKSUJKDBSA-N 1 2 349.475 0.769 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)nc2)C1 ZINC001267620734 838059500 /nfs/dbraw/zinc/05/95/00/838059500.db2.gz GGYUBUWCHHTFCO-HOCLYGCPSA-N 1 2 328.416 0.722 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2ccc(C)nc2)C1 ZINC001267620734 838059509 /nfs/dbraw/zinc/05/95/09/838059509.db2.gz GGYUBUWCHHTFCO-HOCLYGCPSA-N 1 2 328.416 0.722 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)c2cn(C)ccc2=O)C1 ZINC001267629416 838085983 /nfs/dbraw/zinc/08/59/83/838085983.db2.gz WUXOENAZWDFBIQ-KGLIPLIRSA-N 1 2 346.431 0.270 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2cn(C)ccc2=O)C1 ZINC001267629416 838085992 /nfs/dbraw/zinc/08/59/92/838085992.db2.gz WUXOENAZWDFBIQ-KGLIPLIRSA-N 1 2 346.431 0.270 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2cn3c(n2)CCCC3)C1 ZINC001267684494 838247023 /nfs/dbraw/zinc/24/70/23/838247023.db2.gz XRSVFIIAWNRUQJ-CYBMUJFWSA-N 1 2 345.447 0.572 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[NH+]1CC(CNC(=O)[C@H]2C[C@@H](C)CO2)C1 ZINC001267686996 838250798 /nfs/dbraw/zinc/25/07/98/838250798.db2.gz WOETYHRKYPHEJK-GDBMZVCRSA-N 1 2 337.464 0.884 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2n[nH]c3c2CCCC3)C1 ZINC001267688725 838254394 /nfs/dbraw/zinc/25/43/94/838254394.db2.gz TXYIQZQJSRHHGZ-GFCCVEGCSA-N 1 2 345.447 0.641 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2cccc(COC)c2)C1 ZINC001267688441 838256642 /nfs/dbraw/zinc/25/66/42/838256642.db2.gz KQDFMJSUBAQMPJ-CQSZACIVSA-N 1 2 343.427 0.633 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](CC(=O)NCC(C)C)C1 ZINC001267694548 838280766 /nfs/dbraw/zinc/28/07/66/838280766.db2.gz OBESLHSPPXOXKH-RDJZCZTQSA-N 1 2 337.464 0.788 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)c2ccc(Cl)s2)C1 ZINC001267698721 838292576 /nfs/dbraw/zinc/29/25/76/838292576.db2.gz MVOSYWDWQDXWLE-UHFFFAOYSA-N 1 2 325.821 0.813 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCCCNC(C)=O ZINC001267716717 838359689 /nfs/dbraw/zinc/35/96/89/838359689.db2.gz RTPPAJNFEUQBNR-IRXDYDNUSA-N 1 2 335.448 0.618 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCCCNC(C)=O ZINC001267716717 838359698 /nfs/dbraw/zinc/35/96/98/838359698.db2.gz RTPPAJNFEUQBNR-IRXDYDNUSA-N 1 2 335.448 0.618 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cccnc2)C1 ZINC001267717783 838365726 /nfs/dbraw/zinc/36/57/26/838365726.db2.gz LLZHFQUAYGTTMZ-JSGCOSHPSA-N 1 2 345.403 0.286 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cccnc2)C1 ZINC001267717783 838365735 /nfs/dbraw/zinc/36/57/35/838365735.db2.gz LLZHFQUAYGTTMZ-JSGCOSHPSA-N 1 2 345.403 0.286 20 30 ECEDLO CO[C@H](C)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#Cc2ccccc2)C1 ZINC001267719695 838372813 /nfs/dbraw/zinc/37/28/13/838372813.db2.gz KJJGJPSGVGBBCO-WBVHZDCISA-N 1 2 343.427 0.380 20 30 ECEDLO CO[C@H](C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#Cc2ccccc2)C1 ZINC001267719695 838372820 /nfs/dbraw/zinc/37/28/20/838372820.db2.gz KJJGJPSGVGBBCO-WBVHZDCISA-N 1 2 343.427 0.380 20 30 ECEDLO C=CCCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC001267723333 838379909 /nfs/dbraw/zinc/37/99/09/838379909.db2.gz YMDGMIYIDWYOJO-AWEZNQCLSA-N 1 2 336.436 0.912 20 30 ECEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC001267723333 838379916 /nfs/dbraw/zinc/37/99/16/838379916.db2.gz YMDGMIYIDWYOJO-AWEZNQCLSA-N 1 2 336.436 0.912 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncn3ccc(C)cc23)C1 ZINC001267725016 838390002 /nfs/dbraw/zinc/39/00/02/838390002.db2.gz DMZSGBNPWGWZRC-AWEZNQCLSA-N 1 2 341.415 0.749 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncn3ccc(C)cc23)C1 ZINC001267725016 838390013 /nfs/dbraw/zinc/39/00/13/838390013.db2.gz DMZSGBNPWGWZRC-AWEZNQCLSA-N 1 2 341.415 0.749 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c(F)cccc2OC)C1 ZINC001267741637 838443002 /nfs/dbraw/zinc/44/30/02/838443002.db2.gz GXPWFYISZBYNQF-GFCCVEGCSA-N 1 2 335.379 0.941 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c(F)cccc2OC)C1 ZINC001267741637 838443008 /nfs/dbraw/zinc/44/30/08/838443008.db2.gz GXPWFYISZBYNQF-GFCCVEGCSA-N 1 2 335.379 0.941 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cc[nH]c2)C1 ZINC001267742070 838443913 /nfs/dbraw/zinc/44/39/13/838443913.db2.gz YRXJTILORGHUMT-WCQYABFASA-N 1 2 333.392 0.219 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cc[nH]c2)C1 ZINC001267742070 838443914 /nfs/dbraw/zinc/44/39/14/838443914.db2.gz YRXJTILORGHUMT-WCQYABFASA-N 1 2 333.392 0.219 20 30 ECEDLO CC#CCCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC001267747940 838456933 /nfs/dbraw/zinc/45/69/33/838456933.db2.gz ICJREUNIYBGAGX-CQSZACIVSA-N 1 2 334.420 0.359 20 30 ECEDLO CC#CCCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC001267747940 838456940 /nfs/dbraw/zinc/45/69/40/838456940.db2.gz ICJREUNIYBGAGX-CQSZACIVSA-N 1 2 334.420 0.359 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](OC)c2ccccc2)C1 ZINC001267751670 838473289 /nfs/dbraw/zinc/47/32/89/838473289.db2.gz IIVIIUVJBMVCLJ-NVXWUHKLSA-N 1 2 329.400 0.314 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](OC)c2ccccc2)C1 ZINC001267751670 838473291 /nfs/dbraw/zinc/47/32/91/838473291.db2.gz IIVIIUVJBMVCLJ-NVXWUHKLSA-N 1 2 329.400 0.314 20 30 ECEDLO CC(C)OCCCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C#N)C1 ZINC001267759900 838485416 /nfs/dbraw/zinc/48/54/16/838485416.db2.gz NYPWDZJPIQACEA-GJZGRUSLSA-N 1 2 338.452 0.610 20 30 ECEDLO CC(C)OCCCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C#N)C1 ZINC001267759900 838485419 /nfs/dbraw/zinc/48/54/19/838485419.db2.gz NYPWDZJPIQACEA-GJZGRUSLSA-N 1 2 338.452 0.610 20 30 ECEDLO CCCn1nccc1C(=O)N(C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267762009 838491154 /nfs/dbraw/zinc/49/11/54/838491154.db2.gz BVFWOZXFWFRAPW-ZDUSSCGKSA-N 1 2 332.408 0.079 20 30 ECEDLO CCCn1nccc1C(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267762009 838491155 /nfs/dbraw/zinc/49/11/55/838491155.db2.gz BVFWOZXFWFRAPW-ZDUSSCGKSA-N 1 2 332.408 0.079 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc(COC)c2)C1 ZINC001267768613 838508582 /nfs/dbraw/zinc/50/85/82/838508582.db2.gz QEUXHCYTOJPOLC-KRWDZBQOSA-N 1 2 343.427 0.729 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(COC)c2)C1 ZINC001267768613 838508589 /nfs/dbraw/zinc/50/85/89/838508589.db2.gz QEUXHCYTOJPOLC-KRWDZBQOSA-N 1 2 343.427 0.729 20 30 ECEDLO CCn1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)c1C ZINC001267769581 838515789 /nfs/dbraw/zinc/51/57/89/838515789.db2.gz CCPDCGFMDFGUDJ-CQSZACIVSA-N 1 2 331.420 0.603 20 30 ECEDLO CCn1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)c1C ZINC001267769581 838515795 /nfs/dbraw/zinc/51/57/95/838515795.db2.gz CCPDCGFMDFGUDJ-CQSZACIVSA-N 1 2 331.420 0.603 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C2(c3cc(C)no3)CC2)C1 ZINC001267769865 838515890 /nfs/dbraw/zinc/51/58/90/838515890.db2.gz DCIWFLVKJCERCR-AWEZNQCLSA-N 1 2 344.415 0.297 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C2(c3cc(C)no3)CC2)C1 ZINC001267769865 838515894 /nfs/dbraw/zinc/51/58/94/838515894.db2.gz DCIWFLVKJCERCR-AWEZNQCLSA-N 1 2 344.415 0.297 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2c(Cl)cnn2C)C1 ZINC001267937464 838819774 /nfs/dbraw/zinc/81/97/74/838819774.db2.gz MXPGZQVXGJLYBD-LLVKDONJSA-N 1 2 337.811 0.017 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2c(Cl)cnn2C)C1 ZINC001267937464 838819785 /nfs/dbraw/zinc/81/97/85/838819785.db2.gz MXPGZQVXGJLYBD-LLVKDONJSA-N 1 2 337.811 0.017 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)C2(C)CC2)C1 ZINC001267937509 838820747 /nfs/dbraw/zinc/82/07/47/838820747.db2.gz ODTMUHVLPLJVDN-QWHCGFSZSA-N 1 2 336.436 0.767 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C2(C)CC2)C1 ZINC001267937509 838820759 /nfs/dbraw/zinc/82/07/59/838820759.db2.gz ODTMUHVLPLJVDN-QWHCGFSZSA-N 1 2 336.436 0.767 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cnn(C)c2CC)C1 ZINC001267949652 838843926 /nfs/dbraw/zinc/84/39/26/838843926.db2.gz OQUPHCAWNOUBNU-CYBMUJFWSA-N 1 2 333.436 0.479 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cnn(C)c2CC)C1 ZINC001267949652 838843938 /nfs/dbraw/zinc/84/39/38/838843938.db2.gz OQUPHCAWNOUBNU-CYBMUJFWSA-N 1 2 333.436 0.479 20 30 ECEDLO O=C(C#CC1CC1)NC[C@H]1C[N@H+](Cc2ccc(CO)cc2)CCO1 ZINC001268021454 838997308 /nfs/dbraw/zinc/99/73/08/838997308.db2.gz GRRLRWHZOCOFIS-SFHVURJKSA-N 1 2 328.412 0.909 20 30 ECEDLO O=C(C#CC1CC1)NC[C@H]1C[N@@H+](Cc2ccc(CO)cc2)CCO1 ZINC001268021454 838997310 /nfs/dbraw/zinc/99/73/10/838997310.db2.gz GRRLRWHZOCOFIS-SFHVURJKSA-N 1 2 328.412 0.909 20 30 ECEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)NC(=O)CC(C)(C)C)C1 ZINC001268029227 839046128 /nfs/dbraw/zinc/04/61/28/839046128.db2.gz CZFCQLCACIWXQJ-UONOGXRCSA-N 1 2 325.453 0.930 20 30 ECEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H](C)NC(=O)CC(C)(C)C)C1 ZINC001268029227 839046136 /nfs/dbraw/zinc/04/61/36/839046136.db2.gz CZFCQLCACIWXQJ-UONOGXRCSA-N 1 2 325.453 0.930 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@]3(CC[N@@H+](Cc4nnnn4C)C3)C2)C1 ZINC001041654117 781934164 /nfs/dbraw/zinc/93/41/64/781934164.db2.gz YJBIZFHHWBUYQT-KRWDZBQOSA-N 1 2 330.436 0.991 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@]3(CC[N@H+](Cc4nnnn4C)C3)C2)C1 ZINC001041654117 781934174 /nfs/dbraw/zinc/93/41/74/781934174.db2.gz YJBIZFHHWBUYQT-KRWDZBQOSA-N 1 2 330.436 0.991 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2ccncc2)CC1 ZINC000264096306 246059592 /nfs/dbraw/zinc/05/95/92/246059592.db2.gz LZLBAKDIORIDPN-UHFFFAOYSA-N 1 2 328.416 0.298 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2ccncc2)CC1 ZINC000264096306 246059596 /nfs/dbraw/zinc/05/95/96/246059596.db2.gz LZLBAKDIORIDPN-UHFFFAOYSA-N 1 2 328.416 0.298 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2cccs2)CC1 ZINC000264222738 246205511 /nfs/dbraw/zinc/20/55/11/246205511.db2.gz YOEYNLXUMRRLFW-UHFFFAOYSA-N 1 2 333.457 0.964 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2cccs2)CC1 ZINC000264222738 246205515 /nfs/dbraw/zinc/20/55/15/246205515.db2.gz YOEYNLXUMRRLFW-UHFFFAOYSA-N 1 2 333.457 0.964 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000265276539 247362869 /nfs/dbraw/zinc/36/28/69/247362869.db2.gz YDMSBGSVQQHWHT-UHFFFAOYSA-N 1 2 342.359 0.123 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000265276539 247362874 /nfs/dbraw/zinc/36/28/74/247362874.db2.gz YDMSBGSVQQHWHT-UHFFFAOYSA-N 1 2 342.359 0.123 20 30 ECEDLO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000331214572 269676030 /nfs/dbraw/zinc/67/60/30/269676030.db2.gz BPQPSDPTAJBVQQ-LLVKDONJSA-N 1 2 329.447 0.697 20 30 ECEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000444741441 211093168 /nfs/dbraw/zinc/09/31/68/211093168.db2.gz YMHHEACGNYNMFT-ZBFHGGJFSA-N 1 2 331.372 0.885 20 30 ECEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000444741441 211093173 /nfs/dbraw/zinc/09/31/73/211093173.db2.gz YMHHEACGNYNMFT-ZBFHGGJFSA-N 1 2 331.372 0.885 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000416640192 285043237 /nfs/dbraw/zinc/04/32/37/285043237.db2.gz DPCQYAHTULHSSD-CQSZACIVSA-N 1 2 346.497 0.755 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000282910776 254555299 /nfs/dbraw/zinc/55/52/99/254555299.db2.gz RZTFHDYQIUBNKB-AWEZNQCLSA-N 1 2 337.449 0.535 20 30 ECEDLO C#CCNc1nc(N2CCO[C@H](C)C2)nc(N2CCO[C@@H](C)C2)[nH+]1 ZINC000286024925 254563515 /nfs/dbraw/zinc/56/35/15/254563515.db2.gz GASPDLPVJJXFBG-BETUJISGSA-N 1 2 332.408 0.367 20 30 ECEDLO C#CCNc1nc(N2CCO[C@@H](C)C2)nc(N2CCO[C@H](C)C2)[nH+]1 ZINC000286024925 254563517 /nfs/dbraw/zinc/56/35/17/254563517.db2.gz GASPDLPVJJXFBG-BETUJISGSA-N 1 2 332.408 0.367 20 30 ECEDLO CC[N@H+](Cc1nnc(C)o1)[C@@H]1CN(C(=O)C2(C#N)CCC2)C[C@H]1O ZINC000333272633 254657086 /nfs/dbraw/zinc/65/70/86/254657086.db2.gz NYLFVSSRQAISDS-CHWSQXEVSA-N 1 2 333.392 0.466 20 30 ECEDLO CC[N@@H+](Cc1nnc(C)o1)[C@@H]1CN(C(=O)C2(C#N)CCC2)C[C@H]1O ZINC000333272633 254657088 /nfs/dbraw/zinc/65/70/88/254657088.db2.gz NYLFVSSRQAISDS-CHWSQXEVSA-N 1 2 333.392 0.466 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCC(C)(C)C#N)CC1 ZINC000358628361 254730084 /nfs/dbraw/zinc/73/00/84/254730084.db2.gz KXVPBUZZWLIDRV-UHFFFAOYSA-N 1 2 342.407 0.745 20 30 ECEDLO C=CCCn1cc(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)nn1 ZINC000424904466 254781583 /nfs/dbraw/zinc/78/15/83/254781583.db2.gz ZPUVFZWBQVKYSV-UHFFFAOYSA-N 1 2 349.435 0.465 20 30 ECEDLO C#CCN(CC#CC)C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000490678372 254882325 /nfs/dbraw/zinc/88/23/25/254882325.db2.gz NNQSOWYSTSYAPU-UHFFFAOYSA-N 1 2 344.459 0.599 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCO[C@@H](c3ccccc3F)C2)CC1 ZINC000490778620 254885825 /nfs/dbraw/zinc/88/58/25/254885825.db2.gz HRYDTNXPXNXWQJ-GOSISDBHSA-N 1 2 345.418 0.976 20 30 ECEDLO CS(=O)(=O)N[C@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000116887698 221004963 /nfs/dbraw/zinc/00/49/63/221004963.db2.gz YDALYWVLGFBCOG-DZGCQCFKSA-N 1 2 348.428 0.287 20 30 ECEDLO CS(=O)(=O)N[C@H]1CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000116887698 221004964 /nfs/dbraw/zinc/00/49/64/221004964.db2.gz YDALYWVLGFBCOG-DZGCQCFKSA-N 1 2 348.428 0.287 20 30 ECEDLO COCC1(C#N)CC[NH+](CC(=O)NCC(=O)OC(C)(C)C)CC1 ZINC000341981993 292208048 /nfs/dbraw/zinc/20/80/48/292208048.db2.gz CPFMTWPCYLGSGA-UHFFFAOYSA-N 1 2 325.409 0.696 20 30 ECEDLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000261976504 165271079 /nfs/dbraw/zinc/27/10/79/165271079.db2.gz IUSDZMPJZFDBGL-CQSZACIVSA-N 1 2 349.391 0.766 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C)c(C#N)n2)CC1 ZINC000189818940 263163723 /nfs/dbraw/zinc/16/37/23/263163723.db2.gz HODUSUGVQKQZQT-OAHLLOKOSA-N 1 2 345.447 0.925 20 30 ECEDLO CCC[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H]1CC(=O)N(C)C1=O ZINC000282548618 264051625 /nfs/dbraw/zinc/05/16/25/264051625.db2.gz SGNNYLPXDODQMJ-OAHLLOKOSA-N 1 2 342.399 0.644 20 30 ECEDLO CCC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H]1CC(=O)N(C)C1=O ZINC000282548618 264051627 /nfs/dbraw/zinc/05/16/27/264051627.db2.gz SGNNYLPXDODQMJ-OAHLLOKOSA-N 1 2 342.399 0.644 20 30 ECEDLO C[N@@H+]1CC[C@@H]2OCCN(CCS(=O)(=O)c3ccc(C#N)cc3)[C@H]2C1 ZINC000284795654 264239066 /nfs/dbraw/zinc/23/90/66/264239066.db2.gz JKDCGGRJVDPIAZ-IRXDYDNUSA-N 1 2 349.456 0.737 20 30 ECEDLO C[N@H+]1CC[C@@H]2OCCN(CCS(=O)(=O)c3ccc(C#N)cc3)[C@H]2C1 ZINC000284795654 264239068 /nfs/dbraw/zinc/23/90/68/264239068.db2.gz JKDCGGRJVDPIAZ-IRXDYDNUSA-N 1 2 349.456 0.737 20 30 ECEDLO CCN1CCN(S(=O)(=O)c2ccc(C#N)nc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000332271560 270005761 /nfs/dbraw/zinc/00/57/61/270005761.db2.gz GRWKUMKWBFCTEX-CQSZACIVSA-N 1 2 346.416 0.744 20 30 ECEDLO C[C@@H]1CN(C(=O)C[NH+]2CCN(c3cccc(C#N)n3)CC2)C[C@@H](C)O1 ZINC000355099508 267037902 /nfs/dbraw/zinc/03/79/02/267037902.db2.gz NJNMFGDZYBTYRJ-HUUCEWRRSA-N 1 2 343.431 0.711 20 30 ECEDLO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1[nH]cc[nH+]1 ZINC000360967814 267188413 /nfs/dbraw/zinc/18/84/13/267188413.db2.gz DHMBLSYBYQAEKS-NSHDSACASA-N 1 2 347.400 0.307 20 30 ECEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000351498796 267199975 /nfs/dbraw/zinc/19/99/75/267199975.db2.gz BFQBABKLSANPBD-ZFWWWQNUSA-N 1 2 333.388 0.135 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[NH+]([C@H](C)C(=O)N3CCOCC3)CC2)n1 ZINC000342782856 267315237 /nfs/dbraw/zinc/31/52/37/267315237.db2.gz PDNMALSVQQZRMQ-CQSZACIVSA-N 1 2 344.419 0.026 20 30 ECEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)cc1 ZINC000360300552 268212175 /nfs/dbraw/zinc/21/21/75/268212175.db2.gz WAGVOEUUONIUAR-TZMCWYRMSA-N 1 2 336.417 0.085 20 30 ECEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)cc1 ZINC000360300552 268212177 /nfs/dbraw/zinc/21/21/77/268212177.db2.gz WAGVOEUUONIUAR-TZMCWYRMSA-N 1 2 336.417 0.085 20 30 ECEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]2c2nc(C(N)=O)no2)cc1 ZINC000365097132 268213793 /nfs/dbraw/zinc/21/37/93/268213793.db2.gz DYXWGLBPHJVZAA-CHWSQXEVSA-N 1 2 327.344 0.911 20 30 ECEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2c2nc(C(N)=O)no2)cc1 ZINC000365097132 268213796 /nfs/dbraw/zinc/21/37/96/268213796.db2.gz DYXWGLBPHJVZAA-CHWSQXEVSA-N 1 2 327.344 0.911 20 30 ECEDLO N#Cc1csc(C[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)n1 ZINC000352819953 268320499 /nfs/dbraw/zinc/32/04/99/268320499.db2.gz BLNKBHWFIJTGNE-GFCCVEGCSA-N 1 2 344.462 0.593 20 30 ECEDLO COC(=O)[C@H]1CSCC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000412090158 277137522 /nfs/dbraw/zinc/13/75/22/277137522.db2.gz XWMKAGQAOGAQAU-KGLIPLIRSA-N 1 2 333.413 0.923 20 30 ECEDLO COC(=O)[C@H]1CSCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000412090158 277137523 /nfs/dbraw/zinc/13/75/23/277137523.db2.gz XWMKAGQAOGAQAU-KGLIPLIRSA-N 1 2 333.413 0.923 20 30 ECEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000360538465 437621836 /nfs/dbraw/zinc/62/18/36/437621836.db2.gz ZMOAGJDLQPHNQB-GOEBONIOSA-N 1 2 334.468 0.004 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337384548 298135037 /nfs/dbraw/zinc/13/50/37/298135037.db2.gz DMMGEPJITLTMRD-OLZOCXBDSA-N 1 2 327.450 0.836 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337384548 298135039 /nfs/dbraw/zinc/13/50/39/298135039.db2.gz DMMGEPJITLTMRD-OLZOCXBDSA-N 1 2 327.450 0.836 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000073350365 436075995 /nfs/dbraw/zinc/07/59/95/436075995.db2.gz SYHXXYXXYLOHIA-KBPBESRZSA-N 1 2 335.452 0.032 20 30 ECEDLO C[C@@H](C(=O)NC1CC1)N1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000073350365 436076001 /nfs/dbraw/zinc/07/60/01/436076001.db2.gz SYHXXYXXYLOHIA-KBPBESRZSA-N 1 2 335.452 0.032 20 30 ECEDLO N#Cc1ccc(OCC[NH+]2CCN(CC(=O)NC3CC3)CC2)cc1 ZINC000023287713 436124269 /nfs/dbraw/zinc/12/42/69/436124269.db2.gz MHWHINORKBWSLC-UHFFFAOYSA-N 1 2 328.416 0.833 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000032489457 436240019 /nfs/dbraw/zinc/24/00/19/436240019.db2.gz FFWDQGCVFTUDFZ-UHFFFAOYSA-N 1 2 331.416 0.878 20 30 ECEDLO CCNC(=O)CN1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000029672456 436205322 /nfs/dbraw/zinc/20/53/22/436205322.db2.gz IENGUPZBEPSWEX-INIZCTEOSA-N 1 2 346.431 0.052 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCOC(C)(C)C3)CC2)o1 ZINC000030197102 436214658 /nfs/dbraw/zinc/21/46/58/436214658.db2.gz BNJBCONTEKAXPU-UHFFFAOYSA-N 1 2 347.419 0.614 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCOC(C)(C)C3)CC2)o1 ZINC000030197102 436214663 /nfs/dbraw/zinc/21/46/63/436214663.db2.gz BNJBCONTEKAXPU-UHFFFAOYSA-N 1 2 347.419 0.614 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078619476 436273365 /nfs/dbraw/zinc/27/33/65/436273365.db2.gz DXIKMXXPPMJOAT-CYBMUJFWSA-N 1 2 343.431 0.870 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078619476 436273368 /nfs/dbraw/zinc/27/33/68/436273368.db2.gz DXIKMXXPPMJOAT-CYBMUJFWSA-N 1 2 343.431 0.870 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000042570877 436307544 /nfs/dbraw/zinc/30/75/44/436307544.db2.gz MPXTVVCIYKZEHO-HZPDHXFCSA-N 1 2 348.491 0.860 20 30 ECEDLO C=CCNC(=O)NC(=O)CN(CC[NH+]1CCOCC1)c1ccccc1 ZINC000081017842 436336992 /nfs/dbraw/zinc/33/69/92/436336992.db2.gz PBAAXIGDGXZKBM-UHFFFAOYSA-N 1 2 346.431 0.837 20 30 ECEDLO CN(CC(F)(F)F)C(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000081158359 436338337 /nfs/dbraw/zinc/33/83/37/436338337.db2.gz LNLUQGABSKOXDH-UHFFFAOYSA-N 1 2 336.358 0.555 20 30 ECEDLO CCc1nc(CN2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)no1 ZINC000081161763 436338581 /nfs/dbraw/zinc/33/85/81/436338581.db2.gz LWEJBSDCKMAFKQ-CYBMUJFWSA-N 1 2 334.424 0.510 20 30 ECEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000083246173 436372332 /nfs/dbraw/zinc/37/23/32/436372332.db2.gz UFDHRIFGNRVWTR-YOEHRIQHSA-N 1 2 346.431 0.510 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2C(=O)N(C)C)CC1 ZINC000085271936 436387841 /nfs/dbraw/zinc/38/78/41/436387841.db2.gz XDWBWHQDHNNCOC-UHFFFAOYSA-N 1 2 328.416 0.578 20 30 ECEDLO COCC(=O)N1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000047996085 436436521 /nfs/dbraw/zinc/43/65/21/436436521.db2.gz FHNHTPHHPSCATF-OAHLLOKOSA-N 1 2 333.388 0.089 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)cc1 ZINC000048563003 436455011 /nfs/dbraw/zinc/45/50/11/436455011.db2.gz QEUGOEFHOUMHPA-INIZCTEOSA-N 1 2 326.400 0.729 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)Cc2cnccn2)CC1 ZINC000091589664 436455316 /nfs/dbraw/zinc/45/53/16/436455316.db2.gz BMBLIUPWBWQIJQ-INIZCTEOSA-N 1 2 330.436 0.601 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)Cc2cnccn2)CC1 ZINC000091589664 436455321 /nfs/dbraw/zinc/45/53/21/436455321.db2.gz BMBLIUPWBWQIJQ-INIZCTEOSA-N 1 2 330.436 0.601 20 30 ECEDLO CN(Cc1[nH+]ccn1C)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000049603059 436469069 /nfs/dbraw/zinc/46/90/69/436469069.db2.gz XWAMUZABMXTUBG-UHFFFAOYSA-N 1 2 346.412 0.865 20 30 ECEDLO COc1ccc(C#N)cc1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000050143252 436473744 /nfs/dbraw/zinc/47/37/44/436473744.db2.gz WLZWODZBCDYWLJ-UHFFFAOYSA-N 1 2 327.344 0.908 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000051148359 436484795 /nfs/dbraw/zinc/48/47/95/436484795.db2.gz CDRVTVDTIOXMSL-UHFFFAOYSA-N 1 2 328.416 0.857 20 30 ECEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000101543784 436548882 /nfs/dbraw/zinc/54/88/82/436548882.db2.gz SPOZANXJSVMNIX-UHFFFAOYSA-N 1 2 326.404 0.837 20 30 ECEDLO C#CC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000104092903 436557013 /nfs/dbraw/zinc/55/70/13/436557013.db2.gz IMMVYFWKBIDHTC-CVEARBPZSA-N 1 2 348.424 0.420 20 30 ECEDLO C#CC[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000104092903 436557017 /nfs/dbraw/zinc/55/70/17/436557017.db2.gz IMMVYFWKBIDHTC-CVEARBPZSA-N 1 2 348.424 0.420 20 30 ECEDLO N#C[C@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CCO1 ZINC000106329241 436592463 /nfs/dbraw/zinc/59/24/63/436592463.db2.gz YSOIZWKSAOXNAZ-KRWDZBQOSA-N 1 2 344.415 0.953 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC[C@H]2CCCCO2)CC1 ZINC000112904205 436634223 /nfs/dbraw/zinc/63/42/23/436634223.db2.gz RSDNYZQMZSLYCE-MRXNPFEDSA-N 1 2 335.448 0.619 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC[C@H]2CCCCO2)CC1 ZINC000112904205 436634224 /nfs/dbraw/zinc/63/42/24/436634224.db2.gz RSDNYZQMZSLYCE-MRXNPFEDSA-N 1 2 335.448 0.619 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnc(CC)s2)CC1 ZINC000112904182 436634619 /nfs/dbraw/zinc/63/46/19/436634619.db2.gz GMEBBHUSLKMQMF-UHFFFAOYSA-N 1 2 334.445 0.603 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnc(CC)s2)CC1 ZINC000112904182 436634620 /nfs/dbraw/zinc/63/46/20/436634620.db2.gz GMEBBHUSLKMQMF-UHFFFAOYSA-N 1 2 334.445 0.603 20 30 ECEDLO NC(CN1CCOCC1)=[NH+]OCC(=O)Nc1ccc(Cl)cc1 ZINC000111181907 436629488 /nfs/dbraw/zinc/62/94/88/436629488.db2.gz ZQQWIOMJJSZIKF-UHFFFAOYSA-N 1 2 326.784 0.900 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000113433390 436637583 /nfs/dbraw/zinc/63/75/83/436637583.db2.gz UTSGBQSWPKFTNQ-UHFFFAOYSA-N 1 2 349.818 0.943 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000113433390 436637585 /nfs/dbraw/zinc/63/75/85/436637585.db2.gz UTSGBQSWPKFTNQ-UHFFFAOYSA-N 1 2 349.818 0.943 20 30 ECEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000536471551 302136545 /nfs/dbraw/zinc/13/65/45/302136545.db2.gz UVROVQSSXSMKMX-GFCCVEGCSA-N 1 2 330.344 0.182 20 30 ECEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000536471551 302136547 /nfs/dbraw/zinc/13/65/47/302136547.db2.gz UVROVQSSXSMKMX-GFCCVEGCSA-N 1 2 330.344 0.182 20 30 ECEDLO N#Cc1cccc(N2CC[NH+](CC(=O)NC3CCOCC3)CC2)n1 ZINC000544882377 302229481 /nfs/dbraw/zinc/22/94/81/302229481.db2.gz UIERPRAUUHEIHA-UHFFFAOYSA-N 1 2 329.404 0.370 20 30 ECEDLO C[C@@H]1CN(C(=O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)C[C@@H](C)O1 ZINC000193771382 436652303 /nfs/dbraw/zinc/65/23/03/436652303.db2.gz YDFKXZJEGNKDGI-HUUCEWRRSA-N 1 2 343.431 0.711 20 30 ECEDLO CN(C(=O)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1)C1(C#N)CCCCC1 ZINC000116892353 436653380 /nfs/dbraw/zinc/65/33/80/436653380.db2.gz CRIPSVGTRYFSCQ-CYBMUJFWSA-N 1 2 342.465 0.295 20 30 ECEDLO CN(C(=O)C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1)C1(C#N)CCCCC1 ZINC000116892353 436653383 /nfs/dbraw/zinc/65/33/83/436653383.db2.gz CRIPSVGTRYFSCQ-CYBMUJFWSA-N 1 2 342.465 0.295 20 30 ECEDLO O=C(C#Cc1ccc2c(c1)OCO2)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000119054821 436663502 /nfs/dbraw/zinc/66/35/02/436663502.db2.gz SUTJMIPJBYRDNL-OAHLLOKOSA-N 1 2 328.368 0.746 20 30 ECEDLO O=C(C#Cc1ccc2c(c1)OCO2)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000119054821 436663504 /nfs/dbraw/zinc/66/35/04/436663504.db2.gz SUTJMIPJBYRDNL-OAHLLOKOSA-N 1 2 328.368 0.746 20 30 ECEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000270632364 436674359 /nfs/dbraw/zinc/67/43/59/436674359.db2.gz HFCSSAQNIASNED-NSHDSACASA-N 1 2 333.417 0.983 20 30 ECEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000270632364 436674362 /nfs/dbraw/zinc/67/43/62/436674362.db2.gz HFCSSAQNIASNED-NSHDSACASA-N 1 2 333.417 0.983 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(Cc2cscn2)CC1 ZINC000065952796 436675446 /nfs/dbraw/zinc/67/54/46/436675446.db2.gz SDFSIIFVPBJJBB-GFCCVEGCSA-N 1 2 337.449 0.661 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc(C(N)=O)c1 ZINC000195166767 436680650 /nfs/dbraw/zinc/68/06/50/436680650.db2.gz ABUCFPOPKZIUJS-UHFFFAOYSA-N 1 2 330.388 0.474 20 30 ECEDLO COC(=O)[C@H]1C[C@@H](C(=O)OC)CC[N@@H+]1CCC(=O)N(C)CCC#N ZINC000272629131 436720293 /nfs/dbraw/zinc/72/02/93/436720293.db2.gz VYNOYDOHLJUDPP-QWHCGFSZSA-N 1 2 339.392 0.175 20 30 ECEDLO COC(=O)[C@H]1C[C@@H](C(=O)OC)CC[N@H+]1CCC(=O)N(C)CCC#N ZINC000272629131 436720296 /nfs/dbraw/zinc/72/02/96/436720296.db2.gz VYNOYDOHLJUDPP-QWHCGFSZSA-N 1 2 339.392 0.175 20 30 ECEDLO C[C@@H]1C[NH+](C[C@@H]2CCCN2S(=O)(=O)N(C)CCC#N)C[C@@H](C)O1 ZINC000067717874 436722085 /nfs/dbraw/zinc/72/20/85/436722085.db2.gz BFYOGHYMZYIMJR-KFWWJZLASA-N 1 2 344.481 0.650 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000272798140 436722358 /nfs/dbraw/zinc/72/23/58/436722358.db2.gz CUQXEOCBQHDUFC-LBPRGKRZSA-N 1 2 329.422 0.782 20 30 ECEDLO C#CCNC(=O)CN1CCN(c2nc(C)[nH+]c3c2CCCC3)CC1 ZINC000272955322 436732196 /nfs/dbraw/zinc/73/21/96/436732196.db2.gz ZGZURQFTAQDVTR-UHFFFAOYSA-N 1 2 327.432 0.535 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)C[C@H](C)CC)CC1 ZINC000123545175 436740648 /nfs/dbraw/zinc/74/06/48/436740648.db2.gz LSZQLFNQQDFJSF-CQSZACIVSA-N 1 2 329.466 0.119 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)C[C@H](C)CC)CC1 ZINC000123545175 436740650 /nfs/dbraw/zinc/74/06/50/436740650.db2.gz LSZQLFNQQDFJSF-CQSZACIVSA-N 1 2 329.466 0.119 20 30 ECEDLO C=C[C@H](C)NC(=O)N1CC[NH+]([C@H](C)C(=O)NCCCOC)CC1 ZINC000128215300 436812625 /nfs/dbraw/zinc/81/26/25/436812625.db2.gz SSVAVWJPJZZDCZ-UONOGXRCSA-N 1 2 326.441 0.429 20 30 ECEDLO N#CCc1ccc(NC(=O)N(CCO)CC[NH+]2CCOCC2)cc1 ZINC000128633735 436819131 /nfs/dbraw/zinc/81/91/31/436819131.db2.gz TXTYNLMNPWJBSO-UHFFFAOYSA-N 1 2 332.404 0.911 20 30 ECEDLO CCN(C)C(=O)CON=C(N)C[NH+]1CCN(c2ccccc2)CC1 ZINC000273597066 436771126 /nfs/dbraw/zinc/77/11/26/436771126.db2.gz WWIYIKAYZYKFAJ-UHFFFAOYSA-N 1 2 333.436 0.576 20 30 ECEDLO C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCO[C@@H](C#N)C1 ZINC000246724023 436784844 /nfs/dbraw/zinc/78/48/44/436784844.db2.gz VJJUFBKUEFAJTC-GJZGRUSLSA-N 1 2 329.404 0.343 20 30 ECEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](CNC(C)=O)C1 ZINC000246751061 436786422 /nfs/dbraw/zinc/78/64/22/436786422.db2.gz SBDXCEQLNVMJTE-MSOLQXFVSA-N 1 2 348.443 0.992 20 30 ECEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](CNC(C)=O)C1 ZINC000246751061 436786424 /nfs/dbraw/zinc/78/64/24/436786424.db2.gz SBDXCEQLNVMJTE-MSOLQXFVSA-N 1 2 348.443 0.992 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC(=O)N(C)CC1CC1 ZINC000155544156 436797970 /nfs/dbraw/zinc/79/79/70/436797970.db2.gz YHWQXSMEFGRRCC-CYBMUJFWSA-N 1 2 328.420 0.727 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CC(=O)N(C)CC1CC1 ZINC000155544156 436797972 /nfs/dbraw/zinc/79/79/72/436797972.db2.gz YHWQXSMEFGRRCC-CYBMUJFWSA-N 1 2 328.420 0.727 20 30 ECEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000248448255 436803389 /nfs/dbraw/zinc/80/33/89/436803389.db2.gz NXGHENYLQYVNDT-NVXWUHKLSA-N 1 2 334.416 0.602 20 30 ECEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000248448255 436803393 /nfs/dbraw/zinc/80/33/93/436803393.db2.gz NXGHENYLQYVNDT-NVXWUHKLSA-N 1 2 334.416 0.602 20 30 ECEDLO CC#CC[N@@H+](C)CC(=O)N(CC)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000293001403 436841605 /nfs/dbraw/zinc/84/16/05/436841605.db2.gz CXAKSWVJKAOFFR-UHFFFAOYSA-N 1 2 349.435 0.639 20 30 ECEDLO CC#CC[N@H+](C)CC(=O)N(CC)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000293001403 436841607 /nfs/dbraw/zinc/84/16/07/436841607.db2.gz CXAKSWVJKAOFFR-UHFFFAOYSA-N 1 2 349.435 0.639 20 30 ECEDLO COCCNC(=O)C[NH+]1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000160588865 436874410 /nfs/dbraw/zinc/87/44/10/436874410.db2.gz YDPCVMSINSZKEG-UHFFFAOYSA-N 1 2 334.395 0.578 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cnn(C)c2C(F)(F)F)CC1 ZINC000132555372 436866293 /nfs/dbraw/zinc/86/62/93/436866293.db2.gz TZLVXRABGHWLNT-UHFFFAOYSA-N 1 2 345.369 0.859 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(=O)Nc3sccc3C#N)C[C@H]21 ZINC000293872448 436915037 /nfs/dbraw/zinc/91/50/37/436915037.db2.gz ZRNPQBKOTPHOTE-VXGBXAGGSA-N 1 2 334.401 0.490 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)C(=O)Nc3sccc3C#N)C[C@H]21 ZINC000293872448 436915040 /nfs/dbraw/zinc/91/50/40/436915040.db2.gz ZRNPQBKOTPHOTE-VXGBXAGGSA-N 1 2 334.401 0.490 20 30 ECEDLO C[C@@H](NC(=O)C(=O)Nc1sccc1C#N)[C@@H](C)[NH+]1CCOCC1 ZINC000293504715 436882625 /nfs/dbraw/zinc/88/26/25/436882625.db2.gz VBWSXQAMLODHIY-GHMZBOCLSA-N 1 2 336.417 0.784 20 30 ECEDLO N#Cc1cc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)ccn1 ZINC000280629081 436909939 /nfs/dbraw/zinc/90/99/39/436909939.db2.gz XBMTUWQMMOULSC-UHFFFAOYSA-N 1 2 326.360 0.734 20 30 ECEDLO C#CCNc1nc(N(C)[C@H](CC)CO)nc(N(C)[C@@H](CC)CO)[nH+]1 ZINC000294831107 436962006 /nfs/dbraw/zinc/96/20/06/436962006.db2.gz ACGRVSDHHBNIMK-BETUJISGSA-N 1 2 336.440 0.331 20 30 ECEDLO C#CCNc1nc(N(C)[C@@H](CC)CO)nc(N(C)[C@H](CC)CO)[nH+]1 ZINC000294831107 436962010 /nfs/dbraw/zinc/96/20/10/436962010.db2.gz ACGRVSDHHBNIMK-BETUJISGSA-N 1 2 336.440 0.331 20 30 ECEDLO CCc1ccc(C#CC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000295122180 436963386 /nfs/dbraw/zinc/96/33/86/436963386.db2.gz ZMCHLVMGADLJNQ-SFHVURJKSA-N 1 2 330.428 0.752 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@H](CC(C)C)C(=O)OC)C1=O ZINC000281210634 436955585 /nfs/dbraw/zinc/95/55/85/436955585.db2.gz DBFMUGRSHRCWSG-ZIAGYGMSSA-N 1 2 339.436 0.409 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@H](CC(C)C)C(=O)OC)C1=O ZINC000281210634 436955591 /nfs/dbraw/zinc/95/55/91/436955591.db2.gz DBFMUGRSHRCWSG-ZIAGYGMSSA-N 1 2 339.436 0.409 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NCCOc2ccccc2)C1=O ZINC000281239168 436956926 /nfs/dbraw/zinc/95/69/26/436956926.db2.gz FYHCWFJBTGFHHH-INIZCTEOSA-N 1 2 331.416 0.900 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NCCOc2ccccc2)C1=O ZINC000281239168 436956930 /nfs/dbraw/zinc/95/69/30/436956930.db2.gz FYHCWFJBTGFHHH-INIZCTEOSA-N 1 2 331.416 0.900 20 30 ECEDLO CC(=O)NC[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)CCO1 ZINC000172184228 437001954 /nfs/dbraw/zinc/00/19/54/437001954.db2.gz KEIGPUUCYQFRGC-CYBMUJFWSA-N 1 2 336.417 0.785 20 30 ECEDLO CC(=O)NC[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)CCO1 ZINC000172184228 437001957 /nfs/dbraw/zinc/00/19/57/437001957.db2.gz KEIGPUUCYQFRGC-CYBMUJFWSA-N 1 2 336.417 0.785 20 30 ECEDLO C=CCN1CC[C@H](N2CC[N@H+]([C@H]3CCN(CC=C)C3=O)C[C@@H]2C)C1=O ZINC000281912242 437005994 /nfs/dbraw/zinc/00/59/94/437005994.db2.gz GONGTOQKEQAVPD-ULQDDVLXSA-N 1 2 346.475 0.566 20 30 ECEDLO C=CCN1CC[C@H](N2CC[N@@H+]([C@H]3CCN(CC=C)C3=O)C[C@@H]2C)C1=O ZINC000281912242 437005995 /nfs/dbraw/zinc/00/59/95/437005995.db2.gz GONGTOQKEQAVPD-ULQDDVLXSA-N 1 2 346.475 0.566 20 30 ECEDLO C=CCN1CC[C@H](N2CC[N@H+]([C@H]3CCN(CC=C)C3=O)[C@@H](C)C2)C1=O ZINC000281912242 437005996 /nfs/dbraw/zinc/00/59/96/437005996.db2.gz GONGTOQKEQAVPD-ULQDDVLXSA-N 1 2 346.475 0.566 20 30 ECEDLO C=CCN1CC[C@H](N2CC[N@@H+]([C@H]3CCN(CC=C)C3=O)[C@@H](C)C2)C1=O ZINC000281912242 437005997 /nfs/dbraw/zinc/00/59/97/437005997.db2.gz GONGTOQKEQAVPD-ULQDDVLXSA-N 1 2 346.475 0.566 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN([C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000282048718 437009494 /nfs/dbraw/zinc/00/94/94/437009494.db2.gz RJWFLEFNQRGWGY-IYBDPMFKSA-N 1 2 332.448 0.178 20 30 ECEDLO C=CCN1CC[C@@H](N2CC[NH+]([C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000282048718 437009498 /nfs/dbraw/zinc/00/94/98/437009498.db2.gz RJWFLEFNQRGWGY-IYBDPMFKSA-N 1 2 332.448 0.178 20 30 ECEDLO CC(C)NC(=O)C(=O)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000264585698 437050778 /nfs/dbraw/zinc/05/07/78/437050778.db2.gz XBPHHYAJFMYRGR-UHFFFAOYSA-N 1 2 344.415 0.758 20 30 ECEDLO NC(CN1CCOCC1)=[NH+]OCc1nc(Cc2ccccc2)no1 ZINC000173463814 437051851 /nfs/dbraw/zinc/05/18/51/437051851.db2.gz PGMRITIBDUUPOH-UHFFFAOYSA-N 1 2 331.376 0.781 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2cnn3c2[nH]c(=O)c2ccccc23)CC1 ZINC000299344763 437072515 /nfs/dbraw/zinc/07/25/15/437072515.db2.gz SWSOHKZBRWSKJZ-UHFFFAOYSA-N 1 2 349.394 0.957 20 30 ECEDLO C#CC[NH+](CC#C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000174523380 437080669 /nfs/dbraw/zinc/08/06/69/437080669.db2.gz LWTYXVCSPJWXGO-UHFFFAOYSA-N 1 2 343.402 0.847 20 30 ECEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(N3CCCNC3=O)CC2)cc1 ZINC000135443188 303199754 /nfs/dbraw/zinc/19/97/54/303199754.db2.gz ZGLOYKFIDYTOSW-INIZCTEOSA-N 1 2 341.415 0.964 20 30 ECEDLO Cn1nncc1CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000287028161 437155288 /nfs/dbraw/zinc/15/52/88/437155288.db2.gz GVNGSMCXKQMKNU-UHFFFAOYSA-N 1 2 337.387 0.975 20 30 ECEDLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2C)CC1 ZINC000177203902 437173204 /nfs/dbraw/zinc/17/32/04/437173204.db2.gz FTURCRHCGWUBPG-UHFFFAOYSA-N 1 2 344.415 0.986 20 30 ECEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000265867851 437203806 /nfs/dbraw/zinc/20/38/06/437203806.db2.gz UTTBQICUNNMBGC-OAHLLOKOSA-N 1 2 333.388 0.783 20 30 ECEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000265867851 437203808 /nfs/dbraw/zinc/20/38/08/437203808.db2.gz UTTBQICUNNMBGC-OAHLLOKOSA-N 1 2 333.388 0.783 20 30 ECEDLO C[C@@H](C#N)CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000178194986 437207619 /nfs/dbraw/zinc/20/76/19/437207619.db2.gz DPOLVVXEZWRQRX-AWEZNQCLSA-N 1 2 329.404 0.786 20 30 ECEDLO C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCO[C@H](C#N)C1 ZINC000178651333 437223012 /nfs/dbraw/zinc/22/30/12/437223012.db2.gz VJJUFBKUEFAJTC-HUUCEWRRSA-N 1 2 329.404 0.343 20 30 ECEDLO N#C[C@H]1COCCN1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000178985511 437246689 /nfs/dbraw/zinc/24/66/89/437246689.db2.gz GSQJGBSKLIXCHN-AWEZNQCLSA-N 1 2 334.445 0.617 20 30 ECEDLO COc1cc(OS(=O)(=O)CCC[NH+]2CCOCC2)ccc1C#N ZINC000277775782 437253611 /nfs/dbraw/zinc/25/36/11/437253611.db2.gz UPMHLFOYPWAKMV-UHFFFAOYSA-N 1 2 340.401 0.998 20 30 ECEDLO CC(C)C(=O)N1CCC(NC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000329114081 437320166 /nfs/dbraw/zinc/32/01/66/437320166.db2.gz SEISTDIMEWXMPY-AWEZNQCLSA-N 1 2 326.441 0.468 20 30 ECEDLO CC(C)C(=O)N1CCC(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000329114081 437320171 /nfs/dbraw/zinc/32/01/71/437320171.db2.gz SEISTDIMEWXMPY-AWEZNQCLSA-N 1 2 326.441 0.468 20 30 ECEDLO C[C@@H](C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)n1cncn1 ZINC000328914398 437284351 /nfs/dbraw/zinc/28/43/51/437284351.db2.gz IWSBYRFAUVNNEJ-ZDUSSCGKSA-N 1 2 334.424 0.740 20 30 ECEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C([O-])=[NH+][C@@H]1CCc2c[nH]nc2C1 ZINC000329299609 437349744 /nfs/dbraw/zinc/34/97/44/437349744.db2.gz UZRGPXFZUXRTRH-YUELXQCFSA-N 1 2 333.436 0.976 20 30 ECEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000329299609 437349748 /nfs/dbraw/zinc/34/97/48/437349748.db2.gz UZRGPXFZUXRTRH-YUELXQCFSA-N 1 2 333.436 0.976 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000267999618 437351927 /nfs/dbraw/zinc/35/19/27/437351927.db2.gz MNGOJYQCIGDHIN-ZDUSSCGKSA-N 1 2 333.436 0.623 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1[nH+]ccn1C ZINC000268151648 437375323 /nfs/dbraw/zinc/37/53/23/437375323.db2.gz OXOZIKWPZTYHRO-LBPRGKRZSA-N 1 2 340.391 0.502 20 30 ECEDLO N#CCC(=O)N1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000329190621 437332055 /nfs/dbraw/zinc/33/20/55/437332055.db2.gz QCRMILPAOIDYQY-HNNXBMFYSA-N 1 2 334.420 0.214 20 30 ECEDLO N#CCC(=O)N1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000329190621 437332057 /nfs/dbraw/zinc/33/20/57/437332057.db2.gz QCRMILPAOIDYQY-HNNXBMFYSA-N 1 2 334.420 0.214 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N(C)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000337156064 437336317 /nfs/dbraw/zinc/33/63/17/437336317.db2.gz OKHQZJLRMOLYDH-KBPBESRZSA-N 1 2 332.470 0.508 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)C1=O ZINC000337154082 437336871 /nfs/dbraw/zinc/33/68/71/437336871.db2.gz MNJDIIQJQQBAAI-ZIAGYGMSSA-N 1 2 327.450 0.273 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)C1=O ZINC000337154082 437336876 /nfs/dbraw/zinc/33/68/76/437336876.db2.gz MNJDIIQJQQBAAI-ZIAGYGMSSA-N 1 2 327.450 0.273 20 30 ECEDLO Cn1cc([C@@H](NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)C(F)(F)F)cn1 ZINC000329774893 437411061 /nfs/dbraw/zinc/41/10/61/437411061.db2.gz IWPMTRINBGGDSH-QJPTWQEYSA-N 1 2 347.341 0.952 20 30 ECEDLO Cn1cc([C@@H](NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)C(F)(F)F)cn1 ZINC000329774893 437411065 /nfs/dbraw/zinc/41/10/65/437411065.db2.gz IWPMTRINBGGDSH-QJPTWQEYSA-N 1 2 347.341 0.952 20 30 ECEDLO Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N[C@@H]1CCCS(=O)(=O)C1 ZINC000329777140 437412902 /nfs/dbraw/zinc/41/29/02/437412902.db2.gz KIHOTPDYPYBXNX-DGCLKSJQSA-N 1 2 328.438 0.908 20 30 ECEDLO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000329777140 437412904 /nfs/dbraw/zinc/41/29/04/437412904.db2.gz KIHOTPDYPYBXNX-DGCLKSJQSA-N 1 2 328.438 0.908 20 30 ECEDLO Cn1ccc(N2CCC[C@@H](NC(=O)N3CCn4cc[nH+]c4C3)C2=O)n1 ZINC000329794485 437414795 /nfs/dbraw/zinc/41/47/95/437414795.db2.gz BZEBVYSJRMELHU-GFCCVEGCSA-N 1 2 343.391 0.542 20 30 ECEDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N[C@H]1CCCS(=O)(=O)C1 ZINC000329843960 437420242 /nfs/dbraw/zinc/42/02/42/437420242.db2.gz OGUZOZYODGDZRU-STQMWFEESA-N 1 2 338.433 0.741 20 30 ECEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000329531072 437379593 /nfs/dbraw/zinc/37/95/93/437379593.db2.gz JDLSCRRODNVORD-BYCMXARLSA-N 1 2 348.403 0.630 20 30 ECEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000329531072 437379596 /nfs/dbraw/zinc/37/95/96/437379596.db2.gz JDLSCRRODNVORD-BYCMXARLSA-N 1 2 348.403 0.630 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000337788206 437379891 /nfs/dbraw/zinc/37/98/91/437379891.db2.gz YYAWMKOZAODWOJ-ZDUSSCGKSA-N 1 2 332.470 0.508 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000337788206 437379896 /nfs/dbraw/zinc/37/98/96/437379896.db2.gz YYAWMKOZAODWOJ-ZDUSSCGKSA-N 1 2 332.470 0.508 20 30 ECEDLO Cn1c[nH+]cc1CNC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000329544408 437381949 /nfs/dbraw/zinc/38/19/49/437381949.db2.gz FZTJAMQWYPHHBY-QWHCGFSZSA-N 1 2 326.422 0.876 20 30 ECEDLO C#CCn1ccc(CN(CC)C(=O)N[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000279251294 437388367 /nfs/dbraw/zinc/38/83/67/437388367.db2.gz PIVYXAJWYVNYTN-HNNXBMFYSA-N 1 2 333.436 0.769 20 30 ECEDLO CN1CC[N@H+](C)[C@H](CNC(=O)Nc2ccc(-n3ccnn3)cc2)C1 ZINC000329613930 437390589 /nfs/dbraw/zinc/39/05/89/437390589.db2.gz RYMUURXFNPBADV-OAHLLOKOSA-N 1 2 329.408 0.839 20 30 ECEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)Nc2ccc(-n3ccnn3)cc2)C1 ZINC000329613930 437390593 /nfs/dbraw/zinc/39/05/93/437390593.db2.gz RYMUURXFNPBADV-OAHLLOKOSA-N 1 2 329.408 0.839 20 30 ECEDLO CN(C)c1noc(CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)n1 ZINC000329638332 437395006 /nfs/dbraw/zinc/39/50/06/437395006.db2.gz YYOSYWWHDWSEGK-UHFFFAOYSA-N 1 2 326.401 0.250 20 30 ECEDLO CN(C)c1noc(CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)n1 ZINC000329638332 437395009 /nfs/dbraw/zinc/39/50/09/437395009.db2.gz YYOSYWWHDWSEGK-UHFFFAOYSA-N 1 2 326.401 0.250 20 30 ECEDLO Cc1nnc(CCNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)s1 ZINC000329636335 437395806 /nfs/dbraw/zinc/39/58/06/437395806.db2.gz YEAQCJOGCIWHNH-NEPJUHHUSA-N 1 2 325.438 0.708 20 30 ECEDLO Cc1nnc(CCNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)s1 ZINC000329636335 437395810 /nfs/dbraw/zinc/39/58/10/437395810.db2.gz YEAQCJOGCIWHNH-NEPJUHHUSA-N 1 2 325.438 0.708 20 30 ECEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CCO[C@@H]2C)CC1 ZINC000330258012 437476272 /nfs/dbraw/zinc/47/62/72/437476272.db2.gz MACRSCLSTDLKGV-RBSFLKMASA-N 1 2 338.452 0.706 20 30 ECEDLO C[C@@H]1CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC[S@@](=O)C1 ZINC000330336401 437483534 /nfs/dbraw/zinc/48/35/34/437483534.db2.gz SKAHZLRHGXQXGT-QKFKETGDSA-N 1 2 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ECEDLO N#Cc1ccnc(Nc2ccn(CC[NH+]3CCOCC3)n2)c1[N+](=O)[O-] ZINC000348345195 438051631 /nfs/dbraw/zinc/05/16/31/438051631.db2.gz CUZUETLHORTUGS-UHFFFAOYSA-N 1 2 343.347 1.134 20 30 ECEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)c(C#N)c1C ZINC000366435458 438072247 /nfs/dbraw/zinc/07/22/47/438072247.db2.gz LMQCWCDQZFWQKG-GAFUQQFSSA-N 1 2 344.371 0.690 20 30 ECEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)c(C#N)c1C ZINC000366435458 438072250 /nfs/dbraw/zinc/07/22/50/438072250.db2.gz LMQCWCDQZFWQKG-GAFUQQFSSA-N 1 2 344.371 0.690 20 30 ECEDLO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000418118002 438107639 /nfs/dbraw/zinc/10/76/39/438107639.db2.gz DAZICTSIRPIXDR-CQSZACIVSA-N 1 2 331.372 0.820 20 30 ECEDLO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000418118002 438107644 /nfs/dbraw/zinc/10/76/44/438107644.db2.gz DAZICTSIRPIXDR-CQSZACIVSA-N 1 2 331.372 0.820 20 30 ECEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000373260715 438141613 /nfs/dbraw/zinc/14/16/13/438141613.db2.gz MOKQRXFHOJNFMZ-BZUAXINKSA-N 1 2 335.448 0.781 20 30 ECEDLO C[C@@H](CO)[N@@H+]1CCCN(S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000367183037 438177664 /nfs/dbraw/zinc/17/76/64/438177664.db2.gz BATDLRLFJBWKRY-NSHDSACASA-N 1 2 329.447 0.697 20 30 ECEDLO C[C@@H](CO)[N@H+]1CCCN(S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000367183037 438177665 /nfs/dbraw/zinc/17/76/65/438177665.db2.gz BATDLRLFJBWKRY-NSHDSACASA-N 1 2 329.447 0.697 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000349775790 438178937 /nfs/dbraw/zinc/17/89/37/438178937.db2.gz LDZUXUCCSQZCMC-ZIAGYGMSSA-N 1 2 330.454 0.262 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)CN1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000374112693 438190332 /nfs/dbraw/zinc/19/03/32/438190332.db2.gz WXCWKDVJBCOBRC-QAPCUYQASA-N 1 2 349.479 0.327 20 30 ECEDLO C=CCN1CC(=O)N(CC2([NH+]3CCOCC3)CC(OCC)C2)C1=O ZINC000373552342 438158206 /nfs/dbraw/zinc/15/82/06/438158206.db2.gz QFVVJMGTKQALJP-UHFFFAOYSA-N 1 2 337.420 0.707 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000374453968 438210452 /nfs/dbraw/zinc/21/04/52/438210452.db2.gz TTZLKOZHFJOOOV-RDBSUJKOSA-N 1 2 330.454 0.166 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000374453968 438210454 /nfs/dbraw/zinc/21/04/54/438210454.db2.gz TTZLKOZHFJOOOV-RDBSUJKOSA-N 1 2 330.454 0.166 20 30 ECEDLO C#CCCCS(=O)(=O)N1CCC[N@@H+](CC(=O)NC(C)C)CC1 ZINC000367874756 438261124 /nfs/dbraw/zinc/26/11/24/438261124.db2.gz PTQDYGCWHVPBDI-UHFFFAOYSA-N 1 2 329.466 0.262 20 30 ECEDLO C#CCCCS(=O)(=O)N1CCC[N@H+](CC(=O)NC(C)C)CC1 ZINC000367874756 438261127 /nfs/dbraw/zinc/26/11/27/438261127.db2.gz PTQDYGCWHVPBDI-UHFFFAOYSA-N 1 2 329.466 0.262 20 30 ECEDLO N#CCNC(=O)CNC(=O)[C@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000376186142 438272991 /nfs/dbraw/zinc/27/29/91/438272991.db2.gz FEWPLHRZPBIVSU-AWEZNQCLSA-N 1 2 337.383 0.868 20 30 ECEDLO N#Cc1c(N2CC[NH+]([C@H]3CCCCNC3=O)CC2)nc2ccccn12 ZINC000376269645 438277169 /nfs/dbraw/zinc/27/71/69/438277169.db2.gz IYEHEULHTQJUFW-AWEZNQCLSA-N 1 2 338.415 0.997 20 30 ECEDLO C[NH+](C)Cc1nc(C(C)(C)NS(=O)(=O)c2ccc(C#N)o2)no1 ZINC000358944629 438334156 /nfs/dbraw/zinc/33/41/56/438334156.db2.gz XPPVEAQLWKLXNO-UHFFFAOYSA-N 1 2 339.377 0.809 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH+]1CCN(c2cccc(OCC)n2)CC1 ZINC000359156053 438368320 /nfs/dbraw/zinc/36/83/20/438368320.db2.gz DYTTVHBSDHGBFE-UHFFFAOYSA-N 1 2 347.419 0.614 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000352558606 438443043 /nfs/dbraw/zinc/44/30/43/438443043.db2.gz ATKYRMIMFMDSTR-ZIAGYGMSSA-N 1 2 344.481 0.350 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000352558606 438443044 /nfs/dbraw/zinc/44/30/44/438443044.db2.gz ATKYRMIMFMDSTR-ZIAGYGMSSA-N 1 2 344.481 0.350 20 30 ECEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000438517897 438479998 /nfs/dbraw/zinc/47/99/98/438479998.db2.gz VPJVBEOASQXQSC-NEPJUHHUSA-N 1 2 345.407 0.093 20 30 ECEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000438517897 438480001 /nfs/dbraw/zinc/48/00/01/438480001.db2.gz VPJVBEOASQXQSC-NEPJUHHUSA-N 1 2 345.407 0.093 20 30 ECEDLO C[NH+]1CCN(C[C@@H]2CCCN(C(=O)C3(C#N)CCOCC3)C2)CC1 ZINC000369311037 438452492 /nfs/dbraw/zinc/45/24/92/438452492.db2.gz UJDIGWZFGJTCAV-INIZCTEOSA-N 1 2 334.464 0.793 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000410903456 438666985 /nfs/dbraw/zinc/66/69/85/438666985.db2.gz CDEWIXIWRLIZGG-UHFFFAOYSA-N 1 2 341.452 0.217 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000410903456 438666988 /nfs/dbraw/zinc/66/69/88/438666988.db2.gz CDEWIXIWRLIZGG-UHFFFAOYSA-N 1 2 341.452 0.217 20 30 ECEDLO C=CCCCNC(=O)N1CC[NH+]([C@H](C)C(=O)NCCCOC)CC1 ZINC000448044695 438681379 /nfs/dbraw/zinc/68/13/79/438681379.db2.gz WJYWQRIZUUUQSL-OAHLLOKOSA-N 1 2 340.468 0.821 20 30 ECEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2C#N)C1 ZINC000450542084 438691812 /nfs/dbraw/zinc/69/18/12/438691812.db2.gz UUMBFNQVSHOLHA-NSHDSACASA-N 1 2 333.348 1.158 20 30 ECEDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2C#N)C1 ZINC000450542084 438691817 /nfs/dbraw/zinc/69/18/17/438691817.db2.gz UUMBFNQVSHOLHA-NSHDSACASA-N 1 2 333.348 1.158 20 30 ECEDLO C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000575145902 438740177 /nfs/dbraw/zinc/74/01/77/438740177.db2.gz ASWAAGMEERCBQK-LLVKDONJSA-N 1 2 347.400 0.779 20 30 ECEDLO N#CCCCCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000576657634 438792041 /nfs/dbraw/zinc/79/20/41/438792041.db2.gz NCAONYDLTMITOU-HUUCEWRRSA-N 1 2 336.436 0.556 20 30 ECEDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cc(C)c(C#N)cn2)CC1 ZINC000457622368 438815379 /nfs/dbraw/zinc/81/53/79/438815379.db2.gz VOWZQPFTKGDFFV-CYBMUJFWSA-N 1 2 330.388 0.971 20 30 ECEDLO N#Cc1cnccc1C[NH+]1CCC(NC(=O)N2CCOCC2)CC1 ZINC000595551289 438823388 /nfs/dbraw/zinc/82/33/88/438823388.db2.gz IASZQRWMADDKCP-UHFFFAOYSA-N 1 2 329.404 0.959 20 30 ECEDLO N#CCCN1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000601261276 438834586 /nfs/dbraw/zinc/83/45/86/438834586.db2.gz AFWDNFBFYOBSPM-HNNXBMFYSA-N 1 2 330.436 0.863 20 30 ECEDLO C[C@@H]1NC(=O)N(CC[NH+]2CCN(c3ccsc3C#N)CC2)C1=O ZINC000595630360 438836464 /nfs/dbraw/zinc/83/64/64/438836464.db2.gz VLZMSVXMLJYJGR-NSHDSACASA-N 1 2 333.417 0.682 20 30 ECEDLO CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@](C)(C#N)C1)S(C)(=O)=O ZINC000595839071 438868857 /nfs/dbraw/zinc/86/88/57/438868857.db2.gz YMSRULUWYXSNNI-OAHLLOKOSA-N 1 2 344.481 0.398 20 30 ECEDLO CC(C)N(CCCNC(=O)C[N@H+]1CC[C@](C)(C#N)C1)S(C)(=O)=O ZINC000595839071 438868861 /nfs/dbraw/zinc/86/88/61/438868861.db2.gz YMSRULUWYXSNNI-OAHLLOKOSA-N 1 2 344.481 0.398 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1cccc(-n2cccn2)c1C#N ZINC000577866026 438879248 /nfs/dbraw/zinc/87/92/48/438879248.db2.gz WEHDVQRHZAKQSZ-HNNXBMFYSA-N 1 2 341.415 0.873 20 30 ECEDLO N#CC1(CS(=O)(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)CCC1 ZINC000601424630 438887985 /nfs/dbraw/zinc/88/79/85/438887985.db2.gz NTAYJESGYOFMFP-AWEZNQCLSA-N 1 2 327.450 0.807 20 30 ECEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3cc(C#N)cnn3)CC2)C1 ZINC000596061009 438920131 /nfs/dbraw/zinc/92/01/31/438920131.db2.gz MLXALXDWEUKBKO-GASCZTMLSA-N 1 2 342.447 0.975 20 30 ECEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1 ZINC000578544418 438933651 /nfs/dbraw/zinc/93/36/51/438933651.db2.gz GEAXBRKCNQOFDS-HUUCEWRRSA-N 1 2 327.388 0.574 20 30 ECEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1 ZINC000578544418 438933653 /nfs/dbraw/zinc/93/36/53/438933653.db2.gz GEAXBRKCNQOFDS-HUUCEWRRSA-N 1 2 327.388 0.574 20 30 ECEDLO C=CCN1C(=O)C(=O)N(CC(=O)NC(C)(C)c2[nH]cc(C)[nH+]2)C1=O ZINC000579842992 439043296 /nfs/dbraw/zinc/04/32/96/439043296.db2.gz UHFSTIPCWYAJER-UHFFFAOYSA-N 1 2 333.348 0.046 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)NCC2(C#N)CC2)C1=O ZINC000567056112 439112709 /nfs/dbraw/zinc/11/27/09/439112709.db2.gz VNYUPHLXSBBSBB-GFCCVEGCSA-N 1 2 330.392 0.514 20 30 ECEDLO C=CCCSCCNC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000597256822 439064569 /nfs/dbraw/zinc/06/45/69/439064569.db2.gz HJCSGMMBCDNURQ-KGLIPLIRSA-N 1 2 343.493 0.637 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000602425892 439083183 /nfs/dbraw/zinc/08/31/83/439083183.db2.gz XTKRUHSFYYTKRU-INIZCTEOSA-N 1 2 348.451 0.362 20 30 ECEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000592149727 439166765 /nfs/dbraw/zinc/16/67/65/439166765.db2.gz VHGWCMKXSUQBPU-GOSISDBHSA-N 1 2 339.399 0.839 20 30 ECEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000592149727 439166770 /nfs/dbraw/zinc/16/67/70/439166770.db2.gz VHGWCMKXSUQBPU-GOSISDBHSA-N 1 2 339.399 0.839 20 30 ECEDLO CO[C@H]1C[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)[C@@](C)(CO)C1 ZINC000602961227 439168251 /nfs/dbraw/zinc/16/82/51/439168251.db2.gz AUJYSSRFMBSYQL-GDBMZVCRSA-N 1 2 338.429 0.804 20 30 ECEDLO CO[C@H]1C[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)[C@@](C)(CO)C1 ZINC000602961227 439168255 /nfs/dbraw/zinc/16/82/55/439168255.db2.gz AUJYSSRFMBSYQL-GDBMZVCRSA-N 1 2 338.429 0.804 20 30 ECEDLO CCN(CC)C(=O)Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000567318713 439130996 /nfs/dbraw/zinc/13/09/96/439130996.db2.gz WUCBFXDHPFYLNQ-UHFFFAOYSA-N 1 2 332.404 0.421 20 30 ECEDLO C[C@@H](NS(=O)(=O)Cc1ccc(CC#N)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000592037637 439138114 /nfs/dbraw/zinc/13/81/14/439138114.db2.gz UTGDARAIYGBVTL-CZUORRHYSA-N 1 2 337.445 0.891 20 30 ECEDLO C[C@@H](NS(=O)(=O)Cc1ccc(CC#N)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000592037637 439138118 /nfs/dbraw/zinc/13/81/18/439138118.db2.gz UTGDARAIYGBVTL-CZUORRHYSA-N 1 2 337.445 0.891 20 30 ECEDLO Cc1nn(C)c(N2CC[NH+]([C@@H]3CCN(C4CCC4)C3=O)CC2)c1C#N ZINC000602815008 439140055 /nfs/dbraw/zinc/14/00/55/439140055.db2.gz JBNMRYPYOORMDX-MRXNPFEDSA-N 1 2 342.447 0.876 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+](CCOC)Cc1scnc1C ZINC000489432166 439225658 /nfs/dbraw/zinc/22/56/58/439225658.db2.gz IUZKWUJQFIGLNO-UHFFFAOYSA-N 1 2 326.422 0.912 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+](CCOC)Cc1scnc1C ZINC000489432166 439225661 /nfs/dbraw/zinc/22/56/61/439225661.db2.gz IUZKWUJQFIGLNO-UHFFFAOYSA-N 1 2 326.422 0.912 20 30 ECEDLO CCOC(=O)[C@@H]1CCCN(C(=O)C[NH+]2CCN(CCC#N)CC2)C1 ZINC000603017823 439184764 /nfs/dbraw/zinc/18/47/64/439184764.db2.gz PXHTWIBKOZIKQE-OAHLLOKOSA-N 1 2 336.436 0.319 20 30 ECEDLO COCC[N@H+](C)Cc1cn(CC(=O)Nc2ccc(C#N)cc2)nn1 ZINC000603168481 439201964 /nfs/dbraw/zinc/20/19/64/439201964.db2.gz WVEOEUBEJPQTHV-UHFFFAOYSA-N 1 2 328.376 0.867 20 30 ECEDLO COCC[N@@H+](C)Cc1cn(CC(=O)Nc2ccc(C#N)cc2)nn1 ZINC000603168481 439201969 /nfs/dbraw/zinc/20/19/69/439201969.db2.gz WVEOEUBEJPQTHV-UHFFFAOYSA-N 1 2 328.376 0.867 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)N2CCCC[C@@H]2C(=O)OCC)nn1 ZINC000603179067 439204113 /nfs/dbraw/zinc/20/41/13/439204113.db2.gz BKXCFGUDLCFVAD-OAHLLOKOSA-N 1 2 347.419 0.335 20 30 ECEDLO C[N@H+](Cc1cnc2c(C#N)cnn2c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000568089289 439214006 /nfs/dbraw/zinc/21/40/06/439214006.db2.gz QAHJMMAKKGIIDJ-CYBMUJFWSA-N 1 2 334.405 0.067 20 30 ECEDLO C[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000568089289 439214010 /nfs/dbraw/zinc/21/40/10/439214010.db2.gz QAHJMMAKKGIIDJ-CYBMUJFWSA-N 1 2 334.405 0.067 20 30 ECEDLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccccc1C#N ZINC000592388120 439217368 /nfs/dbraw/zinc/21/73/68/439217368.db2.gz ZJAJXOAXQNZHQL-ZDUSSCGKSA-N 1 2 331.401 0.627 20 30 ECEDLO CNS(=O)(=O)CC[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000598604798 439284360 /nfs/dbraw/zinc/28/43/60/439284360.db2.gz XAXIKUNRUYWNBJ-OAHLLOKOSA-N 1 2 340.424 0.557 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000598836419 439317137 /nfs/dbraw/zinc/31/71/37/439317137.db2.gz IQHNHRFPXIQHTI-MDZLAQPJSA-N 1 2 337.342 0.930 20 30 ECEDLO C#C[C@H](NC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)C(C)C ZINC000490962083 439317454 /nfs/dbraw/zinc/31/74/54/439317454.db2.gz MDYVRVPGATTXPR-HOTGVXAUSA-N 1 2 334.464 0.982 20 30 ECEDLO COCC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528354974 439327445 /nfs/dbraw/zinc/32/74/45/439327445.db2.gz LYKKPECHDVCUGF-OAHLLOKOSA-N 1 2 333.388 0.089 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000491072343 439327714 /nfs/dbraw/zinc/32/77/14/439327714.db2.gz RKCCKSLOHBJEPW-UHFFFAOYSA-N 1 2 330.388 0.770 20 30 ECEDLO C[C@H]1CO[C@H](CO)C[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528402164 439334251 /nfs/dbraw/zinc/33/42/51/439334251.db2.gz CTKQEVMJMABHOW-KBPBESRZSA-N 1 2 328.368 0.368 20 30 ECEDLO C[C@H]1CO[C@H](CO)C[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528402164 439334253 /nfs/dbraw/zinc/33/42/53/439334253.db2.gz CTKQEVMJMABHOW-KBPBESRZSA-N 1 2 328.368 0.368 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2cc(F)cc3c2OCOC3)CC1 ZINC000491125203 439334390 /nfs/dbraw/zinc/33/43/90/439334390.db2.gz BLBMHORJAQANIO-UHFFFAOYSA-N 1 2 347.390 0.559 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000491126106 439334691 /nfs/dbraw/zinc/33/46/91/439334691.db2.gz KUFNNWQXDMPNIT-IXDOHACOSA-N 1 2 348.491 0.531 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2c(=O)onc2-c2ccccc2C)CC1 ZINC000490763467 439296059 /nfs/dbraw/zinc/29/60/59/439296059.db2.gz RRJPADNRHIUGJL-UHFFFAOYSA-N 1 2 340.383 0.589 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCCN(CC(F)(F)F)CC2)CC1 ZINC000490781155 439297193 /nfs/dbraw/zinc/29/71/93/439297193.db2.gz XLMPMUMSKPZNSG-UHFFFAOYSA-N 1 2 346.397 0.334 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCCN(CC(F)(F)F)CC2)CC1 ZINC000490781155 439297198 /nfs/dbraw/zinc/29/71/98/439297198.db2.gz XLMPMUMSKPZNSG-UHFFFAOYSA-N 1 2 346.397 0.334 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)N[C@@](CC)(C(C)C)C2=O)CC1 ZINC000490779341 439297944 /nfs/dbraw/zinc/29/79/44/439297944.db2.gz VEIAQLRVHOFPDZ-KRWDZBQOSA-N 1 2 334.420 0.120 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2cccc(O[C@H](C)C(N)=O)c2)CC1 ZINC000490877946 439306665 /nfs/dbraw/zinc/30/66/65/439306665.db2.gz ZYMGEPQTFXXFCM-CQSZACIVSA-N 1 2 345.399 0.095 20 30 ECEDLO Cc1nn(C)c(N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)c1C#N ZINC000582625175 439360426 /nfs/dbraw/zinc/36/04/26/439360426.db2.gz LCJWUMUAAWMRCG-UHFFFAOYSA-N 1 2 327.392 0.605 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(Cc2ccccc2OC)OC)CC1 ZINC000491274746 439360560 /nfs/dbraw/zinc/36/05/60/439360560.db2.gz AOKLZVNKKBHANM-UHFFFAOYSA-N 1 2 331.416 0.836 20 30 ECEDLO C#CCN1CCN(C(=O)CN(C)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000491287655 439363790 /nfs/dbraw/zinc/36/37/90/439363790.db2.gz NPAPOAQDIWUOAR-UHFFFAOYSA-N 1 2 329.448 0.429 20 30 ECEDLO C#CCNS(=O)(=O)c1cccc(C(=O)OCc2cc[nH+]c(N)c2)c1 ZINC000491166606 439341747 /nfs/dbraw/zinc/34/17/47/439341747.db2.gz SSEXNEYVUPSNNH-UHFFFAOYSA-N 1 2 345.380 0.932 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@@H](C)C(=O)N2CCCC[C@@H]2CC)CC1 ZINC000491167513 439342927 /nfs/dbraw/zinc/34/29/27/439342927.db2.gz YMBZAKODDMFKJY-IRXDYDNUSA-N 1 2 348.491 0.533 20 30 ECEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ncc(C#N)cn2)CC1 ZINC000582596159 439354841 /nfs/dbraw/zinc/35/48/41/439354841.db2.gz IKGRPCIJKOQQGT-CQSZACIVSA-N 1 2 342.447 0.913 20 30 ECEDLO C#CCN1CCN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC1 ZINC000491325377 439367302 /nfs/dbraw/zinc/36/73/02/439367302.db2.gz BZTAYQYJLUPSPL-UHFFFAOYSA-N 1 2 344.440 0.871 20 30 ECEDLO C#C[C@H]1COCC[N@H+]1C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000491340268 439368834 /nfs/dbraw/zinc/36/88/34/439368834.db2.gz WPIIDSCSICBTHO-GJZGRUSLSA-N 1 2 330.384 0.645 20 30 ECEDLO C#C[C@H]1COCC[N@@H+]1C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000491340268 439368840 /nfs/dbraw/zinc/36/88/40/439368840.db2.gz WPIIDSCSICBTHO-GJZGRUSLSA-N 1 2 330.384 0.645 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](C)n2cccn2)CC1 ZINC000491486012 439392743 /nfs/dbraw/zinc/39/27/43/439392743.db2.gz SDQHDOAYIYRHJJ-OAHLLOKOSA-N 1 2 331.420 0.118 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](C)n2cccn2)CC1 ZINC000491486012 439392746 /nfs/dbraw/zinc/39/27/46/439392746.db2.gz SDQHDOAYIYRHJJ-OAHLLOKOSA-N 1 2 331.420 0.118 20 30 ECEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)n1 ZINC000491503745 439396075 /nfs/dbraw/zinc/39/60/75/439396075.db2.gz FAINFXOIBYCMIN-AWEZNQCLSA-N 1 2 345.447 0.451 20 30 ECEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)n1 ZINC000491503745 439396079 /nfs/dbraw/zinc/39/60/79/439396079.db2.gz FAINFXOIBYCMIN-AWEZNQCLSA-N 1 2 345.447 0.451 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)CC1 ZINC000491525727 439401567 /nfs/dbraw/zinc/40/15/67/439401567.db2.gz UVJWACILBIILKZ-HZPDHXFCSA-N 1 2 338.473 0.900 20 30 ECEDLO C[C@@H](CNS(=O)(=O)c1ccsc1C#N)C[NH+]1CCOCC1 ZINC000593548640 439402146 /nfs/dbraw/zinc/40/21/46/439402146.db2.gz PZEKRPLIXDCFPR-NSHDSACASA-N 1 2 329.447 0.866 20 30 ECEDLO C#C[C@@H]1COCCN1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000491463742 439386697 /nfs/dbraw/zinc/38/66/97/439386697.db2.gz OJOBPGVJUREIDW-OAHLLOKOSA-N 1 2 330.388 0.462 20 30 ECEDLO CC[C@H](C#N)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000593482397 439386891 /nfs/dbraw/zinc/38/68/91/439386891.db2.gz XSONHZGQMHEPCP-CQSZACIVSA-N 1 2 344.419 0.512 20 30 ECEDLO CC[C@H](C#N)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000593482397 439386895 /nfs/dbraw/zinc/38/68/95/439386895.db2.gz XSONHZGQMHEPCP-CQSZACIVSA-N 1 2 344.419 0.512 20 30 ECEDLO N#Cc1sccc1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000593572583 439411090 /nfs/dbraw/zinc/41/10/90/439411090.db2.gz PHKLYADHQLXRFI-NEPJUHHUSA-N 1 2 341.458 0.839 20 30 ECEDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccsc2C#N)CC[N@H+](C)C1 ZINC000593606158 439421456 /nfs/dbraw/zinc/42/14/56/439421456.db2.gz APNLHCHTKIRVFB-JTQLQIEISA-N 1 2 343.430 0.345 20 30 ECEDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccsc2C#N)CC[N@@H+](C)C1 ZINC000593606158 439421461 /nfs/dbraw/zinc/42/14/61/439421461.db2.gz APNLHCHTKIRVFB-JTQLQIEISA-N 1 2 343.430 0.345 20 30 ECEDLO C#CCn1ccc(CN(CC)C(=O)C[N@H+](C)CC(=O)NC(C)C)n1 ZINC000491678656 439426564 /nfs/dbraw/zinc/42/65/64/439426564.db2.gz UXCBXCROMZUQHR-UHFFFAOYSA-N 1 2 333.436 0.321 20 30 ECEDLO C#CCn1ccc(CN(CC)C(=O)C[N@@H+](C)CC(=O)NC(C)C)n1 ZINC000491678656 439426567 /nfs/dbraw/zinc/42/65/67/439426567.db2.gz UXCBXCROMZUQHR-UHFFFAOYSA-N 1 2 333.436 0.321 20 30 ECEDLO C#C[C@H](CC)NC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000491695836 439428167 /nfs/dbraw/zinc/42/81/67/439428167.db2.gz CWTSRQGLVVMXBJ-CYBMUJFWSA-N 1 2 330.388 0.693 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2csc(N(C)C3CC3)n2)CC1 ZINC000491699995 439430727 /nfs/dbraw/zinc/43/07/27/439430727.db2.gz DABLWGPFYQTUBD-UHFFFAOYSA-N 1 2 347.488 0.609 20 30 ECEDLO CC(C)(C)OC(=O)NCC[N@H+](CCO)CC(=O)NC1(C#N)CCC1 ZINC000492098872 439495239 /nfs/dbraw/zinc/49/52/39/439495239.db2.gz OILDZQQYUVBQPD-UHFFFAOYSA-N 1 2 340.424 0.368 20 30 ECEDLO CC(C)(C)OC(=O)NCC[N@@H+](CCO)CC(=O)NC1(C#N)CCC1 ZINC000492098872 439495243 /nfs/dbraw/zinc/49/52/43/439495243.db2.gz OILDZQQYUVBQPD-UHFFFAOYSA-N 1 2 340.424 0.368 20 30 ECEDLO CCc1nc(CN2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)no1 ZINC000530335430 439497993 /nfs/dbraw/zinc/49/79/93/439497993.db2.gz HYSGFTIITPIROK-CYBMUJFWSA-N 1 2 346.435 0.701 20 30 ECEDLO COCC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@H](O)C(F)(F)F ZINC000594017553 439506873 /nfs/dbraw/zinc/50/68/73/439506873.db2.gz HMMLNFYIUMXMPG-WCQYABFASA-N 1 2 337.342 0.666 20 30 ECEDLO COCC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@H](O)C(F)(F)F ZINC000594017553 439506877 /nfs/dbraw/zinc/50/68/77/439506877.db2.gz HMMLNFYIUMXMPG-WCQYABFASA-N 1 2 337.342 0.666 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(c2nc3cc(OC)ccc3o2)CC1 ZINC000491815015 439457308 /nfs/dbraw/zinc/45/73/08/439457308.db2.gz FFPAARURKJMLEU-UHFFFAOYSA-N 1 2 328.372 0.708 20 30 ECEDLO CS(=O)(=O)NC[C@H]1COCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000599665713 439531764 /nfs/dbraw/zinc/53/17/64/439531764.db2.gz KJIBKZJBDHSBAX-AWEZNQCLSA-N 1 2 345.465 0.337 20 30 ECEDLO CS(=O)(=O)NC[C@H]1COCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000599665713 439531766 /nfs/dbraw/zinc/53/17/66/439531766.db2.gz KJIBKZJBDHSBAX-AWEZNQCLSA-N 1 2 345.465 0.337 20 30 ECEDLO Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@](C)(C#N)C[NH+](C)C)C2=O ZINC000584056277 439545289 /nfs/dbraw/zinc/54/52/89/439545289.db2.gz LJERCHONHQRBDE-QGZVFWFLSA-N 1 2 328.372 0.551 20 30 ECEDLO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000609137231 439552046 /nfs/dbraw/zinc/55/20/46/439552046.db2.gz XBCKQEQXHPQTPL-ZBFHGGJFSA-N 1 2 334.372 0.366 20 30 ECEDLO COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000609137231 439552049 /nfs/dbraw/zinc/55/20/49/439552049.db2.gz XBCKQEQXHPQTPL-ZBFHGGJFSA-N 1 2 334.372 0.366 20 30 ECEDLO C=CCn1cc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)nn1 ZINC000583808785 439514158 /nfs/dbraw/zinc/51/41/58/439514158.db2.gz CQELRULQNXBCMQ-OAHLLOKOSA-N 1 2 334.424 0.470 20 30 ECEDLO N#CC1(CS(=O)(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000547331483 439574219 /nfs/dbraw/zinc/57/42/19/439574219.db2.gz TURCJYKWOJEFLW-KBPBESRZSA-N 1 2 327.450 0.853 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000594815834 439619194 /nfs/dbraw/zinc/61/91/94/439619194.db2.gz BTBMKXFTZXITQR-RDBSUJKOSA-N 1 2 332.470 0.412 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000594815834 439619197 /nfs/dbraw/zinc/61/91/97/439619197.db2.gz BTBMKXFTZXITQR-RDBSUJKOSA-N 1 2 332.470 0.412 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCn1nnc2ccccc2c1=O ZINC000584386185 439583440 /nfs/dbraw/zinc/58/34/40/439583440.db2.gz VFGFWPGEQSWTSM-MRXNPFEDSA-N 1 2 328.376 0.142 20 30 ECEDLO CCN1C(=O)[C@@H]2C[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CCN2C1=O ZINC000610605683 439631417 /nfs/dbraw/zinc/63/14/17/439631417.db2.gz TWINEOQXRMYREO-DCGLDWPTSA-N 1 2 349.435 0.398 20 30 ECEDLO CCN1C(=O)[C@@H]2C[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CCN2C1=O ZINC000610605683 439631419 /nfs/dbraw/zinc/63/14/19/439631419.db2.gz TWINEOQXRMYREO-DCGLDWPTSA-N 1 2 349.435 0.398 20 30 ECEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604653 439631724 /nfs/dbraw/zinc/63/17/24/439631724.db2.gz ZGAXHIFBLQELEP-SOUVJXGZSA-N 1 2 347.415 0.758 20 30 ECEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604653 439631727 /nfs/dbraw/zinc/63/17/27/439631727.db2.gz ZGAXHIFBLQELEP-SOUVJXGZSA-N 1 2 347.415 0.758 20 30 ECEDLO CO[C@@H](Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O)[C@H]1CCOC1 ZINC000594897196 439640899 /nfs/dbraw/zinc/64/08/99/439640899.db2.gz CAJXFQLQHZSUNL-RDJZCZTQSA-N 1 2 347.415 0.604 20 30 ECEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C(=O)Nc1sccc1C#N ZINC000595126601 439658062 /nfs/dbraw/zinc/65/80/62/439658062.db2.gz QQZMVGXTERWYQO-MNOVXSKESA-N 1 2 336.417 0.784 20 30 ECEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C(=O)Nc1sccc1C#N ZINC000595126601 439658067 /nfs/dbraw/zinc/65/80/67/439658067.db2.gz QQZMVGXTERWYQO-MNOVXSKESA-N 1 2 336.417 0.784 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CC(=O)NCc1ccccc1 ZINC000574438576 439704916 /nfs/dbraw/zinc/70/49/16/439704916.db2.gz JOPNYVIZWLYEEV-ZDUSSCGKSA-N 1 2 332.404 0.635 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000574438576 439704919 /nfs/dbraw/zinc/70/49/19/439704919.db2.gz JOPNYVIZWLYEEV-ZDUSSCGKSA-N 1 2 332.404 0.635 20 30 ECEDLO N#Cc1ccnc(N2CC[NH+](CC[C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000611169986 439676170 /nfs/dbraw/zinc/67/61/70/439676170.db2.gz CPKPRAMHTQLIFY-AWEZNQCLSA-N 1 2 334.445 0.900 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cn1c2ccc([N+](=O)[O-])cc2oc1=O ZINC000574015086 439678596 /nfs/dbraw/zinc/67/85/96/439678596.db2.gz ZLEVNSXJRVGIHM-HNNXBMFYSA-N 1 2 347.331 0.463 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCN(CCC#N)CC2)CC1 ZINC000611374052 439695324 /nfs/dbraw/zinc/69/53/24/439695324.db2.gz CMSPKNGPJZUNSW-QGZVFWFLSA-N 1 2 346.479 0.210 20 30 ECEDLO C[C@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1cccc(C#N)c1 ZINC000611389483 439695980 /nfs/dbraw/zinc/69/59/80/439695980.db2.gz XHOGTKCQMWXGHQ-JTQLQIEISA-N 1 2 338.371 0.683 20 30 ECEDLO N#Cc1cc(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)c[nH]1 ZINC000611472079 439698293 /nfs/dbraw/zinc/69/82/93/439698293.db2.gz AFJBNQVKJPZENY-UHFFFAOYSA-N 1 2 329.404 0.560 20 30 ECEDLO CC1(C)CN(S(=O)(=O)c2ccc(F)cc2C#N)CC[N@@H+]1CCO ZINC000614853841 439788974 /nfs/dbraw/zinc/78/89/74/439788974.db2.gz HQTDMGQVMJEOMM-UHFFFAOYSA-N 1 2 341.408 0.775 20 30 ECEDLO CC1(C)CN(S(=O)(=O)c2ccc(F)cc2C#N)CC[N@H+]1CCO ZINC000614853841 439788975 /nfs/dbraw/zinc/78/89/75/439788975.db2.gz HQTDMGQVMJEOMM-UHFFFAOYSA-N 1 2 341.408 0.775 20 30 ECEDLO C=CCOCCCNC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000658622615 440039181 /nfs/dbraw/zinc/03/91/81/440039181.db2.gz ICIUEFAWRRPFGV-OAHLLOKOSA-N 1 2 333.388 0.770 20 30 ECEDLO C=CCCn1cc(CN2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)nn1 ZINC000653477045 440190714 /nfs/dbraw/zinc/19/07/14/440190714.db2.gz AYHGOHCZLQGKNG-CQSZACIVSA-N 1 2 332.452 0.639 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000637192618 440195724 /nfs/dbraw/zinc/19/57/24/440195724.db2.gz VLRWWJPOBYNDGR-KEYYUXOJSA-N 1 2 339.436 0.245 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000637192618 440195730 /nfs/dbraw/zinc/19/57/30/440195730.db2.gz VLRWWJPOBYNDGR-KEYYUXOJSA-N 1 2 339.436 0.245 20 30 ECEDLO Cn1cc(C#N)c(=NC(=O)N=c2ccn(C3CC[NH+](C)CC3)[nH]2)[nH]1 ZINC000618758506 440157875 /nfs/dbraw/zinc/15/78/75/440157875.db2.gz GBIPZHJVIWAMSH-UHFFFAOYSA-N 1 2 328.380 0.243 20 30 ECEDLO C=CCn1cc(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)nn1 ZINC000648229120 440262714 /nfs/dbraw/zinc/26/27/14/440262714.db2.gz MHMJLRZEFMSXPF-UHFFFAOYSA-N 1 2 328.376 0.626 20 30 ECEDLO CC#CCCNC(=O)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000664704670 440360058 /nfs/dbraw/zinc/36/00/58/440360058.db2.gz ZECSHUCMHGWKCK-LJQANCHMSA-N 1 2 345.443 0.963 20 30 ECEDLO CC#CCCNC(=O)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000664704670 440360064 /nfs/dbraw/zinc/36/00/64/440360064.db2.gz ZECSHUCMHGWKCK-LJQANCHMSA-N 1 2 345.443 0.963 20 30 ECEDLO CC#CC[C@@H](CO)NC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000645155997 440755038 /nfs/dbraw/zinc/75/50/38/440755038.db2.gz FWZBPHMCEAXHCM-HOCLYGCPSA-N 1 2 346.431 0.880 20 30 ECEDLO C=CC[N@H+](CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)[C@@H](C)COC ZINC000661244426 440820136 /nfs/dbraw/zinc/82/01/36/440820136.db2.gz UCJGUJDHECQGCJ-JTQLQIEISA-N 1 2 336.392 0.572 20 30 ECEDLO C=CC[N@@H+](CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)[C@@H](C)COC ZINC000661244426 440820142 /nfs/dbraw/zinc/82/01/42/440820142.db2.gz UCJGUJDHECQGCJ-JTQLQIEISA-N 1 2 336.392 0.572 20 30 ECEDLO C=CC[N@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H](C)COC ZINC000661247103 440821042 /nfs/dbraw/zinc/82/10/42/440821042.db2.gz MLHRJUHBYQDACW-GFCCVEGCSA-N 1 2 341.433 0.795 20 30 ECEDLO C=CC[N@@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H](C)COC ZINC000661247103 440821050 /nfs/dbraw/zinc/82/10/50/440821050.db2.gz MLHRJUHBYQDACW-GFCCVEGCSA-N 1 2 341.433 0.795 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)NCc2ccc(OC)cc2)nn1 ZINC000640770288 440986244 /nfs/dbraw/zinc/98/62/44/440986244.db2.gz WIWAGFJTDHWMTA-UHFFFAOYSA-N 1 2 327.388 0.716 20 30 ECEDLO C=CCCn1cc(C[NH2+]CCS(=O)(=O)N2CCSCC2)nn1 ZINC000657354691 441003865 /nfs/dbraw/zinc/00/38/65/441003865.db2.gz XKRCSCQRNOTLCN-UHFFFAOYSA-N 1 2 345.494 0.322 20 30 ECEDLO N#Cc1ccc(-c2nc(CC(=O)NCC[NH+]3CCOCC3)no2)s1 ZINC000350673643 321326192 /nfs/dbraw/zinc/32/61/92/321326192.db2.gz SHAJASDZSPRBAH-UHFFFAOYSA-N 1 2 347.400 0.661 20 30 ECEDLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(c2ccncc2C#N)CC1 ZINC000548163406 322150075 /nfs/dbraw/zinc/15/00/75/322150075.db2.gz KRZSHYRCBYMGSU-AWEZNQCLSA-N 1 2 329.404 0.323 20 30 ECEDLO Cc1nnsc1Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000566498256 322539045 /nfs/dbraw/zinc/53/90/45/322539045.db2.gz XXYHDDHIAIHIAL-UHFFFAOYSA-N 1 2 331.401 0.760 20 30 ECEDLO Cc1ccn(CC(=O)NCC(C)(C)[NH+]2CCOCC2)c(=O)c1C#N ZINC000163853845 534332292 /nfs/dbraw/zinc/33/22/92/534332292.db2.gz HDACWOPKSKTNGC-UHFFFAOYSA-N 1 2 332.404 0.255 20 30 ECEDLO CC(=O)N1CC[NH+](CCNC(=O)CSc2ccc(C#N)cc2)CC1 ZINC000264040200 534788480 /nfs/dbraw/zinc/78/84/80/534788480.db2.gz PQOJEAARUUBKCT-UHFFFAOYSA-N 1 2 346.456 0.931 20 30 ECEDLO C#Cc1cccc(NC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)c1 ZINC000170847039 527446250 /nfs/dbraw/zinc/44/62/50/527446250.db2.gz GBIPZWJEUWDPLE-UHFFFAOYSA-N 1 2 329.400 0.833 20 30 ECEDLO C#Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)c1 ZINC000170847039 527446261 /nfs/dbraw/zinc/44/62/61/527446261.db2.gz GBIPZWJEUWDPLE-UHFFFAOYSA-N 1 2 329.400 0.833 20 30 ECEDLO COC1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000328805256 546006989 /nfs/dbraw/zinc/00/69/89/546006989.db2.gz HNOJVOZSMIQXEO-UHFFFAOYSA-N 1 2 348.451 0.623 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCC2(C)COC2)CC1 ZINC000329270399 546019461 /nfs/dbraw/zinc/01/94/61/546019461.db2.gz HMKVYVJCBYTUKI-UHFFFAOYSA-N 1 2 345.407 0.436 20 30 ECEDLO CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@H](O)C1CCOCC1 ZINC000329553818 546027263 /nfs/dbraw/zinc/02/72/63/546027263.db2.gz DITZTOYIXXGPDY-AWEZNQCLSA-N 1 2 329.441 0.388 20 30 ECEDLO CC1(C)COCC[N@H+]1CCNC(=O)NC[C@H](O)C1CCOCC1 ZINC000329553818 546027268 /nfs/dbraw/zinc/02/72/68/546027268.db2.gz DITZTOYIXXGPDY-AWEZNQCLSA-N 1 2 329.441 0.388 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000438450562 546227068 /nfs/dbraw/zinc/22/70/68/546227068.db2.gz FTTWSKUJVOIJTL-HOTGVXAUSA-N 1 2 341.452 0.304 20 30 ECEDLO C=CCOC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)C(=O)OC ZINC000619544377 546340208 /nfs/dbraw/zinc/34/02/08/546340208.db2.gz YARZQXPYWURSOA-CVEARBPZSA-N 1 2 347.415 0.906 20 30 ECEDLO C=CCOC[C@@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)C(=O)OC ZINC000619544377 546340210 /nfs/dbraw/zinc/34/02/10/546340210.db2.gz YARZQXPYWURSOA-CVEARBPZSA-N 1 2 347.415 0.906 20 30 ECEDLO N#Cc1ncn(CC(=O)N2CC[NH2+][C@H](c3ccccc3Cl)C2)n1 ZINC000619777891 546367757 /nfs/dbraw/zinc/36/77/57/546367757.db2.gz FYDQUEAMXYFHTP-ZDUSSCGKSA-N 1 2 330.779 0.976 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C ZINC000623365306 546780466 /nfs/dbraw/zinc/78/04/66/546780466.db2.gz PKEQGFSSSMHVEY-GJZGRUSLSA-N 1 2 332.404 0.909 20 30 ECEDLO O=C(NO)c1ccc(CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)cc1 ZINC000671996393 548251689 /nfs/dbraw/zinc/25/16/89/548251689.db2.gz PGJXKOWUAUUTRN-MRXNPFEDSA-N 1 2 347.415 0.923 20 30 ECEDLO O=C(NO)c1ccc(CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)cc1 ZINC000671996393 548251691 /nfs/dbraw/zinc/25/16/91/548251691.db2.gz PGJXKOWUAUUTRN-MRXNPFEDSA-N 1 2 347.415 0.923 20 30 ECEDLO C=C(C)[C@H](CO)[NH+]1CCN(S(=O)(=O)N(CCC)CCC)CC1 ZINC000683100641 549459532 /nfs/dbraw/zinc/45/95/32/549459532.db2.gz WLFSXLLAGGEPNJ-HNNXBMFYSA-N 1 2 333.498 0.908 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cnoc3C)C[C@H]2O)nc1 ZINC001078030280 782174466 /nfs/dbraw/zinc/17/44/66/782174466.db2.gz QYBMLLGFOQENLX-HZPDHXFCSA-N 1 2 326.356 0.334 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cnoc3C)C[C@H]2O)nc1 ZINC001078030280 782174474 /nfs/dbraw/zinc/17/44/74/782174474.db2.gz QYBMLLGFOQENLX-HZPDHXFCSA-N 1 2 326.356 0.334 20 30 ECEDLO C#C[C@H](CC)NC(=O)N1CC[NH+]([C@@H](C)C(=O)NCCCOC)CC1 ZINC000753245163 579397563 /nfs/dbraw/zinc/39/75/63/579397563.db2.gz CZUBEBNMYDXMBP-LSDHHAIUSA-N 1 2 338.452 0.267 20 30 ECEDLO C#CC(=O)NCCc1ccc(OCC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000754003360 579410635 /nfs/dbraw/zinc/41/06/35/579410635.db2.gz MCDDJSOIVHJQPH-UHFFFAOYSA-N 1 2 343.427 0.521 20 30 ECEDLO C[S@@](=O)CC[NH+]1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000755958498 579442558 /nfs/dbraw/zinc/44/25/58/579442558.db2.gz YGRUJZNRPWCKEE-XMMPIXPASA-N 1 2 348.472 0.883 20 30 ECEDLO C[S@@](=O)CCN1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000755958498 579442559 /nfs/dbraw/zinc/44/25/59/579442559.db2.gz YGRUJZNRPWCKEE-XMMPIXPASA-N 1 2 348.472 0.883 20 30 ECEDLO CCc1nnc(N2CC[NH+](CC[S@](C)=O)CC2)c(C#N)c1CC ZINC000758463304 579473590 /nfs/dbraw/zinc/47/35/90/579473590.db2.gz FEUOVCCBDHGOAF-QHCPKHFHSA-N 1 2 335.477 0.974 20 30 ECEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(CC(=O)NCCC#N)CC1 ZINC000728930735 578291924 /nfs/dbraw/zinc/29/19/24/578291924.db2.gz DQXXWCSMXGXDHA-CQSZACIVSA-N 1 2 335.452 0.081 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000730097513 578303270 /nfs/dbraw/zinc/30/32/70/578303270.db2.gz CYIILLIHDCXSHK-KSSFIOAISA-N 1 2 340.383 0.777 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000730097513 578303271 /nfs/dbraw/zinc/30/32/71/578303271.db2.gz CYIILLIHDCXSHK-KSSFIOAISA-N 1 2 340.383 0.777 20 30 ECEDLO Cn1c(C=NNc2cc[nH+]c3ccccc23)nc2c1c(=O)[nH]c(=O)n2C ZINC000730146512 578303708 /nfs/dbraw/zinc/30/37/08/578303708.db2.gz ZHCOPSTVCGEAFV-UHFFFAOYSA-N 1 2 349.354 0.789 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)N1CCc2ccccc2C1 ZINC000730284227 578304731 /nfs/dbraw/zinc/30/47/31/578304731.db2.gz QYKJCJFZXSUWTM-KRWDZBQOSA-N 1 2 325.412 0.785 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)N1CCc2ccccc2C1 ZINC000730284227 578304732 /nfs/dbraw/zinc/30/47/32/578304732.db2.gz QYKJCJFZXSUWTM-KRWDZBQOSA-N 1 2 325.412 0.785 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)NC(=O)c2ccccc2)CC1 ZINC000735939919 578400543 /nfs/dbraw/zinc/40/05/43/578400543.db2.gz LXLCKNFMVMYXOI-UHFFFAOYSA-N 1 2 328.368 0.831 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000780598103 578696878 /nfs/dbraw/zinc/69/68/78/578696878.db2.gz KKBZEDWKIGMBOZ-CYBMUJFWSA-N 1 2 347.481 0.074 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000780598103 578696879 /nfs/dbraw/zinc/69/68/79/578696879.db2.gz KKBZEDWKIGMBOZ-CYBMUJFWSA-N 1 2 347.481 0.074 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)OC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000782277700 578722914 /nfs/dbraw/zinc/72/29/14/578722914.db2.gz ZKFSDMZUJXTBMS-KXEGMRRWSA-N 1 2 337.376 0.167 20 30 ECEDLO N#Cc1c(F)cccc1S(=O)(=O)NCC[N@@H+]1CCCOCC1 ZINC000782506797 578727012 /nfs/dbraw/zinc/72/70/12/578727012.db2.gz GPMKSIISNDHLKW-UHFFFAOYSA-N 1 2 327.381 0.698 20 30 ECEDLO N#Cc1c(F)cccc1S(=O)(=O)NCC[N@H+]1CCCOCC1 ZINC000782506797 578727013 /nfs/dbraw/zinc/72/70/13/578727013.db2.gz GPMKSIISNDHLKW-UHFFFAOYSA-N 1 2 327.381 0.698 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc3c(c2)C[C@H](OC)C3)CC1 ZINC000783891596 578747015 /nfs/dbraw/zinc/74/70/15/578747015.db2.gz NBQLAXQEEORTEF-GOSISDBHSA-N 1 2 327.428 0.990 20 30 ECEDLO C#C[C@H](CCC)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000791024330 578885544 /nfs/dbraw/zinc/88/55/44/578885544.db2.gz PPUOPEANWQNRNL-CYBMUJFWSA-N 1 2 329.466 0.597 20 30 ECEDLO O=C(CCNC(=O)C1N=CC=CC1=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767553653 579111144 /nfs/dbraw/zinc/11/11/44/579111144.db2.gz CSHKDDILTYTYDV-MVOHADHWSA-N 1 2 349.387 0.309 20 30 ECEDLO O=C(CCNC(=O)C1N=CC=CC1=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767553653 579111145 /nfs/dbraw/zinc/11/11/45/579111145.db2.gz CSHKDDILTYTYDV-MVOHADHWSA-N 1 2 349.387 0.309 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2c[nH]nc2C(C)C)CC1 ZINC000770433157 579166485 /nfs/dbraw/zinc/16/64/85/579166485.db2.gz APEQIIHXMAIVIR-UHFFFAOYSA-N 1 2 331.420 0.430 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c[nH]nc2C(C)C)CC1 ZINC000770433157 579166487 /nfs/dbraw/zinc/16/64/87/579166487.db2.gz APEQIIHXMAIVIR-UHFFFAOYSA-N 1 2 331.420 0.430 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)COC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000772048810 579199552 /nfs/dbraw/zinc/19/95/52/579199552.db2.gz LWZXTFUIRMBMBD-QWHCGFSZSA-N 1 2 327.450 0.975 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)COC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000772048810 579199553 /nfs/dbraw/zinc/19/95/53/579199553.db2.gz LWZXTFUIRMBMBD-QWHCGFSZSA-N 1 2 327.450 0.975 20 30 ECEDLO C#CCCCCC(=O)N1CC[NH+]([C@@H](C)C(=O)NCCCOC)CC1 ZINC000773335403 579225158 /nfs/dbraw/zinc/22/51/58/579225158.db2.gz ZDJJGOZVQPPMFZ-INIZCTEOSA-N 1 2 337.464 0.865 20 30 ECEDLO C#C[C@H](NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H]1CCCO1 ZINC000773562375 579230206 /nfs/dbraw/zinc/23/02/06/579230206.db2.gz VZOANTWTQGOOKH-HOTGVXAUSA-N 1 2 344.415 0.898 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CCCO1 ZINC000773798822 579234447 /nfs/dbraw/zinc/23/44/47/579234447.db2.gz QYWYZAFSXKUOTJ-ZIAGYGMSSA-N 1 2 339.355 0.503 20 30 ECEDLO C#C[C@H](NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CCCO1 ZINC000775650895 579269540 /nfs/dbraw/zinc/26/95/40/579269540.db2.gz VIJLHGDWTUJPAU-HOTGVXAUSA-N 1 2 347.419 0.518 20 30 ECEDLO C#CCOc1ccccc1NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000778810242 579311287 /nfs/dbraw/zinc/31/12/87/579311287.db2.gz MCYYEDAOBBXARI-ZDUSSCGKSA-N 1 2 338.367 0.965 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000761024821 579519635 /nfs/dbraw/zinc/51/96/35/579519635.db2.gz PZJHYLSGEMKYQY-JKSUJKDBSA-N 1 2 343.493 0.667 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](CCOc2ccc(C)cc2)CC1 ZINC000761031762 579519726 /nfs/dbraw/zinc/51/97/26/579519726.db2.gz CHECOZYSXXFURH-UHFFFAOYSA-N 1 2 337.445 0.459 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(c2ncnc3sc(C)cc32)CC1 ZINC000761218280 579524734 /nfs/dbraw/zinc/52/47/34/579524734.db2.gz CNFWWPIFHLRWRG-UHFFFAOYSA-N 1 2 329.429 0.871 20 30 ECEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](CCS(N)(=O)=O)CC1 ZINC000740876684 579762787 /nfs/dbraw/zinc/76/27/87/579762787.db2.gz YNWJLMOASPDFKL-UHFFFAOYSA-N 1 2 345.428 0.517 20 30 ECEDLO CC(C)C[N@H+](CC(N)=O)Cc1nc2ccccc2c(=O)n1CC#N ZINC000744386440 579808997 /nfs/dbraw/zinc/80/89/97/579808997.db2.gz MOHVDMPJWSSSKK-UHFFFAOYSA-N 1 2 327.388 0.863 20 30 ECEDLO CC(C)C[N@@H+](CC(N)=O)Cc1nc2ccccc2c(=O)n1CC#N ZINC000744386440 579808998 /nfs/dbraw/zinc/80/89/98/579808998.db2.gz MOHVDMPJWSSSKK-UHFFFAOYSA-N 1 2 327.388 0.863 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000744423020 579809400 /nfs/dbraw/zinc/80/94/00/579809400.db2.gz SRJYRLWKLMDGJV-KRWDZBQOSA-N 1 2 325.412 0.813 20 30 ECEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000746475214 579840307 /nfs/dbraw/zinc/84/03/07/579840307.db2.gz PZHDHRRMBRFUNE-BSEYFRJRSA-N 1 2 348.472 0.881 20 30 ECEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000747840966 579855084 /nfs/dbraw/zinc/85/50/84/579855084.db2.gz WNOJZFIZLDRSLW-IRXDYDNUSA-N 1 2 334.464 0.932 20 30 ECEDLO C#CCOc1ccc(CNC(=O)C[N@@H+](C)CC(=O)NC(C)C)cc1 ZINC000836869598 588937106 /nfs/dbraw/zinc/93/71/06/588937106.db2.gz XTEWEFRQMBQTOI-UHFFFAOYSA-N 1 2 331.416 0.771 20 30 ECEDLO C#CCOc1ccc(CNC(=O)C[N@H+](C)CC(=O)NC(C)C)cc1 ZINC000836869598 588937108 /nfs/dbraw/zinc/93/71/08/588937108.db2.gz XTEWEFRQMBQTOI-UHFFFAOYSA-N 1 2 331.416 0.771 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3n[nH]cc3c2)C1 ZINC000891606388 586181709 /nfs/dbraw/zinc/18/17/09/586181709.db2.gz LUJXLYHYFHGFAR-AWEZNQCLSA-N 1 2 325.372 0.715 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3n[nH]cc3c2)C1 ZINC000891606388 586181713 /nfs/dbraw/zinc/18/17/13/586181713.db2.gz LUJXLYHYFHGFAR-AWEZNQCLSA-N 1 2 325.372 0.715 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000895915611 586212244 /nfs/dbraw/zinc/21/22/44/586212244.db2.gz DKQQANDNVISXBE-UHFFFAOYSA-N 1 2 327.475 0.896 20 30 ECEDLO C#CCNc1nc(N[C@H]2COC[C@H]2C)[nH+]c(N[C@@H]2COC[C@@H]2C)n1 ZINC000895909085 586212287 /nfs/dbraw/zinc/21/22/87/586212287.db2.gz LNZMXAZZODTGQO-FNFFVJSTSA-N 1 2 332.408 0.810 20 30 ECEDLO C#CCNc1nc(N[C@H]2COC[C@H]2C)nc(N[C@@H]2COC[C@@H]2C)[nH+]1 ZINC000895909085 586212289 /nfs/dbraw/zinc/21/22/89/586212289.db2.gz LNZMXAZZODTGQO-FNFFVJSTSA-N 1 2 332.408 0.810 20 30 ECEDLO C#CCNc1nc(N[C@@H]2COC[C@@H]2C)nc(N[C@H]2COC[C@H]2C)[nH+]1 ZINC000895909085 586212291 /nfs/dbraw/zinc/21/22/91/586212291.db2.gz LNZMXAZZODTGQO-FNFFVJSTSA-N 1 2 332.408 0.810 20 30 ECEDLO C#CCOc1ccc(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)cc1 ZINC000899057541 586465758 /nfs/dbraw/zinc/46/57/58/586465758.db2.gz GBBAIFRVZALKRV-UHFFFAOYSA-N 1 2 330.384 0.877 20 30 ECEDLO C#CCOc1ccc(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)cc1 ZINC000899057541 586465760 /nfs/dbraw/zinc/46/57/60/586465760.db2.gz GBBAIFRVZALKRV-UHFFFAOYSA-N 1 2 330.384 0.877 20 30 ECEDLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@]2(C#N)CCSC2)C1 ZINC000900463919 586633545 /nfs/dbraw/zinc/63/35/45/586633545.db2.gz IIYHONSNXJWFRJ-DOMZBBRYSA-N 1 2 325.434 0.777 20 30 ECEDLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@]2(C#N)CCSC2)C1 ZINC000900463919 586633547 /nfs/dbraw/zinc/63/35/47/586633547.db2.gz IIYHONSNXJWFRJ-DOMZBBRYSA-N 1 2 325.434 0.777 20 30 ECEDLO Cc1cc(C=NNC(=S)NCC[NH+]2CCOCC2)cnc1F ZINC000901129581 586695767 /nfs/dbraw/zinc/69/57/67/586695767.db2.gz FKGVXIGSULDRTP-UHFFFAOYSA-N 1 2 325.413 0.659 20 30 ECEDLO N#Cc1cncc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)c1 ZINC000902418173 586736823 /nfs/dbraw/zinc/73/68/23/586736823.db2.gz MVPBQMVLSDHNHM-UHFFFAOYSA-N 1 2 335.367 0.867 20 30 ECEDLO C=CCONC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000838706252 586820882 /nfs/dbraw/zinc/82/08/82/586820882.db2.gz MWOWHGPARCHNOE-UHFFFAOYSA-N 1 2 348.407 0.262 20 30 ECEDLO C=CCONC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000838706252 586820884 /nfs/dbraw/zinc/82/08/84/586820884.db2.gz MWOWHGPARCHNOE-UHFFFAOYSA-N 1 2 348.407 0.262 20 30 ECEDLO Cn1cc(N2C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CCC2=O)cn1 ZINC000905495322 586898387 /nfs/dbraw/zinc/89/83/87/586898387.db2.gz JTSVWAIWWXXZIZ-BLLLJJGKSA-N 1 2 332.408 0.123 20 30 ECEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)NCc2cccc(C#N)c2)C1 ZINC000805473223 586910337 /nfs/dbraw/zinc/91/03/37/586910337.db2.gz SWEPOEIEKIJUIM-OAHLLOKOSA-N 1 2 331.372 0.438 20 30 ECEDLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)NCc2cccc(C#N)c2)C1 ZINC000805473223 586910339 /nfs/dbraw/zinc/91/03/39/586910339.db2.gz SWEPOEIEKIJUIM-OAHLLOKOSA-N 1 2 331.372 0.438 20 30 ECEDLO CC[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1cnc2c(C#N)cnn2c1 ZINC000906073244 586932454 /nfs/dbraw/zinc/93/24/54/586932454.db2.gz PMPIXSWVQIKIAS-GFCCVEGCSA-N 1 2 334.405 0.316 20 30 ECEDLO CC[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1cnc2c(C#N)cnn2c1 ZINC000906073244 586932455 /nfs/dbraw/zinc/93/24/55/586932455.db2.gz PMPIXSWVQIKIAS-GFCCVEGCSA-N 1 2 334.405 0.316 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CCC([NH+]3CCOCC3)CC2)nc1 ZINC000907306801 587031628 /nfs/dbraw/zinc/03/16/28/587031628.db2.gz RABPCAJZMGOEOP-UHFFFAOYSA-N 1 2 336.417 0.439 20 30 ECEDLO C[NH+](C)Cc1csc(CNS(=O)(=O)c2ccc(C#N)cn2)n1 ZINC000907413990 587042530 /nfs/dbraw/zinc/04/25/30/587042530.db2.gz YPJNNIWMQWIVJU-UHFFFAOYSA-N 1 2 337.430 0.950 20 30 ECEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000804436367 587084925 /nfs/dbraw/zinc/08/49/25/587084925.db2.gz PCRISWZGBAUCEO-XOKHGSTOSA-N 1 2 329.400 0.913 20 30 ECEDLO C=CCN1CCN(C[N@H+]2CC[C@H](n3cc(C(=O)OC)nn3)C2)C1=O ZINC000840048486 587086581 /nfs/dbraw/zinc/08/65/81/587086581.db2.gz MWHQENFHOVVRRM-LBPRGKRZSA-N 1 2 334.380 0.193 20 30 ECEDLO C=CCN1CCN(C[N@@H+]2CC[C@H](n3cc(C(=O)OC)nn3)C2)C1=O ZINC000840048486 587086582 /nfs/dbraw/zinc/08/65/82/587086582.db2.gz MWHQENFHOVVRRM-LBPRGKRZSA-N 1 2 334.380 0.193 20 30 ECEDLO Cn1c(CC#N)nn(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1=S ZINC000808205556 587148964 /nfs/dbraw/zinc/14/89/64/587148964.db2.gz AUCWMVNHYWNQGZ-LBPRGKRZSA-N 1 2 334.449 0.919 20 30 ECEDLO Cn1c(CC#N)nn(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1=S ZINC000808205556 587148965 /nfs/dbraw/zinc/14/89/65/587148965.db2.gz AUCWMVNHYWNQGZ-LBPRGKRZSA-N 1 2 334.449 0.919 20 30 ECEDLO C#C[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C)[C@@H]1CCCO1 ZINC000811185368 587213968 /nfs/dbraw/zinc/21/39/68/587213968.db2.gz JXOSTGGRBMSYPN-JYJNAYRXSA-N 1 2 346.431 0.780 20 30 ECEDLO C#C[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C)[C@@H]1CCCO1 ZINC000811185368 587213970 /nfs/dbraw/zinc/21/39/70/587213970.db2.gz JXOSTGGRBMSYPN-JYJNAYRXSA-N 1 2 346.431 0.780 20 30 ECEDLO Cn1nncc1N[NH+]=Cc1c(N2CCOCC2)nc2ccccn12 ZINC000814982079 587280491 /nfs/dbraw/zinc/28/04/91/587280491.db2.gz VWCNIKVNOXXKOC-UHFFFAOYSA-N 1 2 326.364 0.745 20 30 ECEDLO CCc1ccc(C#CC(=O)N(CCO)CC[NH+]2CCOCC2)cc1 ZINC000815841617 587300231 /nfs/dbraw/zinc/30/02/31/587300231.db2.gz PIUOHOVLMTWPET-UHFFFAOYSA-N 1 2 330.428 0.754 20 30 ECEDLO C=CCC1(C(=O)N2CC[NH+](CC[S@@](C)=O)CC2)CCOCC1 ZINC000819310654 587476186 /nfs/dbraw/zinc/47/61/86/587476186.db2.gz YHQGQVJPNMWAQA-JOCHJYFZSA-N 1 2 328.478 0.882 20 30 ECEDLO COCCOc1ccc(C#N)cc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000819466612 587480203 /nfs/dbraw/zinc/48/02/03/587480203.db2.gz ADSKEGXSVFKBLL-OAHLLOKOSA-N 1 2 335.404 0.688 20 30 ECEDLO Cn1cc[nH+]c1CNc1ccc(C(=O)N[C@@H]2CCN(O)C2=O)cc1 ZINC000820127966 587511487 /nfs/dbraw/zinc/51/14/87/587511487.db2.gz SOMNYCOWIXCPLK-CYBMUJFWSA-N 1 2 329.360 0.752 20 30 ECEDLO O=C(N[C@H]1CCN(O)C1=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000820184772 587515620 /nfs/dbraw/zinc/51/56/20/587515620.db2.gz DPACJFNKROOQCK-GJZGRUSLSA-N 1 2 333.388 0.291 20 30 ECEDLO O=C(N[C@H]1CCCN(O)C1=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000820482269 587536634 /nfs/dbraw/zinc/53/66/34/587536634.db2.gz GZGOYGIPCJMQPY-HOTGVXAUSA-N 1 2 347.415 0.681 20 30 ECEDLO C#C[C@@H](NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000820489532 587537872 /nfs/dbraw/zinc/53/78/72/587537872.db2.gz GZYULXDOFKJJQZ-IAGOWNOFSA-N 1 2 349.406 0.835 20 30 ECEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N[C@@H]2CCCN(O)C2=O)cc1 ZINC000823160276 587706587 /nfs/dbraw/zinc/70/65/87/587706587.db2.gz CAARAZWDTYDNHO-CABCVRRESA-N 1 2 333.388 0.766 20 30 ECEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N[C@@H]2CCCN(O)C2=O)cc1 ZINC000823160276 587706588 /nfs/dbraw/zinc/70/65/88/587706588.db2.gz CAARAZWDTYDNHO-CABCVRRESA-N 1 2 333.388 0.766 20 30 ECEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccnc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826387669 588037468 /nfs/dbraw/zinc/03/74/68/588037468.db2.gz JWFPAUXUTOJYQM-UHFFFAOYSA-N 1 2 347.386 0.851 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@]23C[C@H]2COC3(C)C)CC1 ZINC000826549617 588069299 /nfs/dbraw/zinc/06/92/99/588069299.db2.gz KCTCDJPQNAQELS-KSSFIOAISA-N 1 2 333.432 0.085 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@]23C[C@H]2COC3(C)C)CC1 ZINC000826549617 588069301 /nfs/dbraw/zinc/06/93/01/588069301.db2.gz KCTCDJPQNAQELS-KSSFIOAISA-N 1 2 333.432 0.085 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](Cc1ccncc1)C(=O)OCC ZINC000829742072 588338630 /nfs/dbraw/zinc/33/86/30/588338630.db2.gz SFKPOAHKBLOPHR-CVEARBPZSA-N 1 2 329.400 0.770 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](Cc1ccncc1)C(=O)OCC ZINC000829742072 588338632 /nfs/dbraw/zinc/33/86/32/588338632.db2.gz SFKPOAHKBLOPHR-CVEARBPZSA-N 1 2 329.400 0.770 20 30 ECEDLO COc1cc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)ccc1C#N ZINC000829806157 588342669 /nfs/dbraw/zinc/34/26/69/588342669.db2.gz GXTVJRMKYBZZSG-OAHLLOKOSA-N 1 2 333.388 0.332 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(OC)cnc2F)CC1 ZINC000847446244 589247208 /nfs/dbraw/zinc/24/72/08/589247208.db2.gz MPEWDFZWYALIRJ-UHFFFAOYSA-N 1 2 348.378 0.127 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(OC)cnc2F)CC1 ZINC000847446244 589247209 /nfs/dbraw/zinc/24/72/09/589247209.db2.gz MPEWDFZWYALIRJ-UHFFFAOYSA-N 1 2 348.378 0.127 20 30 ECEDLO CCCCCC[C@](O)(C[NH+]1CCN(C(=O)CC#N)CC1)C(=O)OC ZINC000852125665 589444872 /nfs/dbraw/zinc/44/48/72/589444872.db2.gz MYMZPOVRDXVPBU-KRWDZBQOSA-N 1 2 339.436 0.919 20 30 ECEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](CC(=O)NCCC#N)CC[C@H]1F ZINC000852736095 589508291 /nfs/dbraw/zinc/50/82/91/589508291.db2.gz UDLILMYHIWFUMJ-VXGBXAGGSA-N 1 2 328.388 0.953 20 30 ECEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](CC(=O)NCCC#N)CC[C@H]1F ZINC000852736095 589508292 /nfs/dbraw/zinc/50/82/92/589508292.db2.gz UDLILMYHIWFUMJ-VXGBXAGGSA-N 1 2 328.388 0.953 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(-c3cn(C)nn3)c2)CC1 ZINC000853065580 589530734 /nfs/dbraw/zinc/53/07/34/589530734.db2.gz WMWPERPMACQBDZ-UHFFFAOYSA-N 1 2 338.415 0.671 20 30 ECEDLO COC(=O)CC[C@@]1(C)NC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853525153 589546150 /nfs/dbraw/zinc/54/61/50/589546150.db2.gz TXGBMBNKMCOAJR-BLLLJJGKSA-N 1 2 336.392 0.833 20 30 ECEDLO COC(=O)CC[C@@]1(C)NC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853525153 589546152 /nfs/dbraw/zinc/54/61/52/589546152.db2.gz TXGBMBNKMCOAJR-BLLLJJGKSA-N 1 2 336.392 0.833 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)CC(C3CCCC3)CC2=O)CC1 ZINC000853747190 589557672 /nfs/dbraw/zinc/55/76/72/589557672.db2.gz ONMVFTPABGRORD-UHFFFAOYSA-N 1 2 345.443 0.719 20 30 ECEDLO C=C[C@@H](O)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000854443249 589586494 /nfs/dbraw/zinc/58/64/94/589586494.db2.gz SBFDPWDFAYFCJN-ZIAGYGMSSA-N 1 2 339.436 0.687 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H]2Cc3ccccc3CN2C(C)=O)CC1 ZINC000112920690 589617426 /nfs/dbraw/zinc/61/74/26/589617426.db2.gz AFLVBJZGMOGFSO-GOSISDBHSA-N 1 2 325.412 0.737 20 30 ECEDLO C[C@H]1C[N@H+](CCNC(=O)C#Cc2ccc3c(c2)OCO3)[C@@H](C)CO1 ZINC000855411176 589630310 /nfs/dbraw/zinc/63/03/10/589630310.db2.gz OGRSKNZXSQUUKO-KBPBESRZSA-N 1 2 330.384 0.992 20 30 ECEDLO C[C@H]1C[N@@H+](CCNC(=O)C#Cc2ccc3c(c2)OCO3)[C@@H](C)CO1 ZINC000855411176 589630312 /nfs/dbraw/zinc/63/03/12/589630312.db2.gz OGRSKNZXSQUUKO-KBPBESRZSA-N 1 2 330.384 0.992 20 30 ECEDLO C[C@@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1cccc(C#N)c1O ZINC000866555661 589750639 /nfs/dbraw/zinc/75/06/39/589750639.db2.gz TWXVIKRXRJXSAO-SJKOYZFVSA-N 1 2 331.372 0.542 20 30 ECEDLO CCC(C#N)(CC)C(=O)O[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000860739278 589797487 /nfs/dbraw/zinc/79/74/87/589797487.db2.gz RFRUWUDNJSKGEQ-CYBMUJFWSA-N 1 2 325.409 0.696 20 30 ECEDLO C#CCCS(=O)(=O)N1Cc2ccc[nH+]c2N2C[C@H](OC)C[C@H]2C1 ZINC000867623374 589816904 /nfs/dbraw/zinc/81/69/04/589816904.db2.gz CCLFQPWTJLZYDZ-LSDHHAIUSA-N 1 2 335.429 0.844 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2cc(S(N)(=O)=O)cc(F)c2C)CC1 ZINC000859357189 589825744 /nfs/dbraw/zinc/82/57/44/589825744.db2.gz KLMJSPDAQWNZAX-UHFFFAOYSA-N 1 2 339.392 0.173 20 30 ECEDLO CN1CC[N@H+](C)[C@H](CNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1 ZINC000868235612 589883684 /nfs/dbraw/zinc/88/36/84/589883684.db2.gz BTJKZJCXVGYPGA-DLBZAZTESA-N 1 2 327.432 0.570 20 30 ECEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1 ZINC000868235612 589883686 /nfs/dbraw/zinc/88/36/86/589883686.db2.gz BTJKZJCXVGYPGA-DLBZAZTESA-N 1 2 327.432 0.570 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)cc1O ZINC000870064671 589995356 /nfs/dbraw/zinc/99/53/56/589995356.db2.gz PWTGEXLMQMMFQP-HNNXBMFYSA-N 1 2 331.372 0.437 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(-c3nnnn3C)cc2)CC1 ZINC000863359219 590008246 /nfs/dbraw/zinc/00/82/46/590008246.db2.gz DHGJJRQGFVNMQP-UHFFFAOYSA-N 1 2 339.403 0.066 20 30 ECEDLO N#C[C@@]1(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CCCOC1 ZINC000864664297 590091924 /nfs/dbraw/zinc/09/19/24/590091924.db2.gz PMHADAJUYFCVEC-KRWDZBQOSA-N 1 2 330.388 0.855 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCNC(=O)CC12CCOCC2)C1CC1 ZINC000872290637 590111612 /nfs/dbraw/zinc/11/16/12/590111612.db2.gz WEQCHKPEWVSWEB-INIZCTEOSA-N 1 2 334.420 0.166 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCNC(=O)CC12CCOCC2)C1CC1 ZINC000872290637 590111613 /nfs/dbraw/zinc/11/16/13/590111613.db2.gz WEQCHKPEWVSWEB-INIZCTEOSA-N 1 2 334.420 0.166 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1ccc2nccnc2c1 ZINC000872328838 590114763 /nfs/dbraw/zinc/11/47/63/590114763.db2.gz FJUBIPPNHJNXND-UHFFFAOYSA-N 1 2 344.444 0.760 20 30 ECEDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c(C#N)c1 ZINC000872475796 590119727 /nfs/dbraw/zinc/11/97/27/590119727.db2.gz QRZDHQJOBRIWFM-KGLIPLIRSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c(C#N)c1 ZINC000872475796 590119729 /nfs/dbraw/zinc/11/97/29/590119729.db2.gz QRZDHQJOBRIWFM-KGLIPLIRSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c(C#N)c1 ZINC000872498783 590121703 /nfs/dbraw/zinc/12/17/03/590121703.db2.gz YQAYOYGHRYBBLL-UONOGXRCSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)c(C#N)c1 ZINC000872498783 590121705 /nfs/dbraw/zinc/12/17/05/590121705.db2.gz YQAYOYGHRYBBLL-UONOGXRCSA-N 1 2 337.445 0.942 20 30 ECEDLO COC(=O)[C@@H]1CC(=O)N(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000872728061 590145286 /nfs/dbraw/zinc/14/52/86/590145286.db2.gz AEWNYYHGVCEVJC-OAHLLOKOSA-N 1 2 342.399 0.659 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](CN3C[C@@]4(CCOC4)CC3=O)CC2)cn1 ZINC000872793232 590149590 /nfs/dbraw/zinc/14/95/90/590149590.db2.gz POPSSPYLOAAFLG-GOSISDBHSA-N 1 2 341.415 0.672 20 30 ECEDLO N#Cc1ccc(COC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)o1 ZINC000873384575 590189143 /nfs/dbraw/zinc/18/91/43/590189143.db2.gz NPBJJCRGQWIKRX-CYBMUJFWSA-N 1 2 347.371 0.375 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000875022413 590263349 /nfs/dbraw/zinc/26/33/49/590263349.db2.gz LXJORTKWQKEYLD-AWEZNQCLSA-N 1 2 342.399 0.538 20 30 ECEDLO C#CCOCCC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000125397163 590296176 /nfs/dbraw/zinc/29/61/76/590296176.db2.gz IWWYTNLVYUHIRB-UHFFFAOYSA-N 1 2 344.415 0.276 20 30 ECEDLO NC(=O)C1([NH2+]CC#Cc2cccc(Cl)c2)CCS(=O)(=O)CC1 ZINC000879411676 590310209 /nfs/dbraw/zinc/31/02/09/590310209.db2.gz ZDZRAPKFYIONDP-UHFFFAOYSA-N 1 2 340.832 0.714 20 30 ECEDLO COC(=O)CCN(CC#N)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000879474696 590313742 /nfs/dbraw/zinc/31/37/42/590313742.db2.gz VBTCCJTVDRTVAZ-UHFFFAOYSA-N 1 2 348.403 0.312 20 30 ECEDLO CCOCCNC(=O)C[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000879588511 590326106 /nfs/dbraw/zinc/32/61/06/590326106.db2.gz GMEFOCDYAWXDBJ-UHFFFAOYSA-N 1 2 334.395 0.972 20 30 ECEDLO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879584561 590326316 /nfs/dbraw/zinc/32/63/16/590326316.db2.gz CIZXIPPBAAXFIS-CYBMUJFWSA-N 1 2 329.404 0.914 20 30 ECEDLO C=CCN(C)C(=O)C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000875735260 590327175 /nfs/dbraw/zinc/32/71/75/590327175.db2.gz VTLLXHQJVYANCM-UHFFFAOYSA-N 1 2 339.436 0.553 20 30 ECEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000879729056 590339923 /nfs/dbraw/zinc/33/99/23/590339923.db2.gz URKNEPSCUOYGER-PVAVHDDUSA-N 1 2 345.399 0.277 20 30 ECEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000879729056 590339925 /nfs/dbraw/zinc/33/99/25/590339925.db2.gz URKNEPSCUOYGER-PVAVHDDUSA-N 1 2 345.399 0.277 20 30 ECEDLO C#C[C@H]1COCCN1C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000875886307 590342173 /nfs/dbraw/zinc/34/21/73/590342173.db2.gz JATQONNLUKCWNB-DLBZAZTESA-N 1 2 344.415 0.326 20 30 ECEDLO C#C[C@H]1COCCN1C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000875886307 590342176 /nfs/dbraw/zinc/34/21/76/590342176.db2.gz JATQONNLUKCWNB-DLBZAZTESA-N 1 2 344.415 0.326 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000875926409 590346929 /nfs/dbraw/zinc/34/69/29/590346929.db2.gz FJQZGCBVMLWZIH-HNNXBMFYSA-N 1 2 327.425 0.015 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)NCC=C)c2)CC1 ZINC000128244000 590375283 /nfs/dbraw/zinc/37/52/83/590375283.db2.gz YWYIADUWMNSDRV-UHFFFAOYSA-N 1 2 347.440 0.542 20 30 ECEDLO C=CCOc1ccc(C[NH2+]Cc2nnc3n2CCNC3=O)cc1OC ZINC000883295682 590611868 /nfs/dbraw/zinc/61/18/68/590611868.db2.gz PNYDMWQHTGEBNI-UHFFFAOYSA-N 1 2 343.387 0.885 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)CC1 ZINC000133515541 590706792 /nfs/dbraw/zinc/70/67/92/590706792.db2.gz CDVSLIROCPIKFT-MRXNPFEDSA-N 1 2 334.464 0.841 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2c(C)nn(COC)c2C)C1 ZINC000885512337 590730043 /nfs/dbraw/zinc/73/00/43/590730043.db2.gz VESXFJGWGGHRFQ-CQSZACIVSA-N 1 2 340.449 0.480 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2c(C)nn(COC)c2C)C1 ZINC000885512337 590730045 /nfs/dbraw/zinc/73/00/45/590730045.db2.gz VESXFJGWGGHRFQ-CQSZACIVSA-N 1 2 340.449 0.480 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000885513661 590730362 /nfs/dbraw/zinc/73/03/62/590730362.db2.gz BOARZAQHHPYSFH-LLVKDONJSA-N 1 2 334.401 0.644 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000885513661 590730365 /nfs/dbraw/zinc/73/03/65/590730365.db2.gz BOARZAQHHPYSFH-LLVKDONJSA-N 1 2 334.401 0.644 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(C(=O)N(CC)CC)CC1 ZINC000884077725 590733985 /nfs/dbraw/zinc/73/39/85/590733985.db2.gz VVHGQRFRLXEAQC-ZDUSSCGKSA-N 1 2 340.424 0.039 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1nc2ccccc2n1C ZINC000884220356 590780729 /nfs/dbraw/zinc/78/07/29/590780729.db2.gz PVOJFOBPPIRPMW-LBPRGKRZSA-N 1 2 330.388 0.978 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](C)C2(S(C)(=O)=O)CC2)C1 ZINC000884342090 590810828 /nfs/dbraw/zinc/81/08/28/590810828.db2.gz PRSVQTQVVQGTPR-QWHCGFSZSA-N 1 2 327.450 0.349 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)C2(S(C)(=O)=O)CC2)C1 ZINC000884342090 590810830 /nfs/dbraw/zinc/81/08/30/590810830.db2.gz PRSVQTQVVQGTPR-QWHCGFSZSA-N 1 2 327.450 0.349 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC(=O)OC)C1CCCCC1 ZINC000884401676 590819863 /nfs/dbraw/zinc/81/98/63/590819863.db2.gz XNKRDPLHFOEQFC-ZDUSSCGKSA-N 1 2 326.393 0.767 20 30 ECEDLO N#CCC(=O)N1CC[NH+](C[C@H](O)COc2ccc3cc[nH]c3c2)CC1 ZINC000930630468 611448292 /nfs/dbraw/zinc/44/82/92/611448292.db2.gz LQTHRFRERMOVOF-HNNXBMFYSA-N 1 2 342.399 0.965 20 30 ECEDLO C#CC[C@H]1NC(=O)N(C[C@H]2CN(C)CC[N@@H+]2Cc2ccccc2)C1=O ZINC000925371827 611475734 /nfs/dbraw/zinc/47/57/34/611475734.db2.gz QUTBIZKQZPDGJV-IAGOWNOFSA-N 1 2 340.427 0.746 20 30 ECEDLO C#CC[C@H]1NC(=O)N(C[C@H]2CN(C)CC[N@H+]2Cc2ccccc2)C1=O ZINC000925371827 611475735 /nfs/dbraw/zinc/47/57/35/611475735.db2.gz QUTBIZKQZPDGJV-IAGOWNOFSA-N 1 2 340.427 0.746 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC(NC(=O)Cc3[nH]cc[nH+]3)CC2)cn1 ZINC000947631812 611626619 /nfs/dbraw/zinc/62/66/19/611626619.db2.gz OBDNGCCIAZTULX-UHFFFAOYSA-N 1 2 337.383 0.750 20 30 ECEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000937350282 608609837 /nfs/dbraw/zinc/60/98/37/608609837.db2.gz SEGUWIVPWDAZHP-RRFJBIMHSA-N 1 2 326.400 0.986 20 30 ECEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000937350282 608609840 /nfs/dbraw/zinc/60/98/40/608609840.db2.gz SEGUWIVPWDAZHP-RRFJBIMHSA-N 1 2 326.400 0.986 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)CC2)C1 ZINC000949483297 608701675 /nfs/dbraw/zinc/70/16/75/608701675.db2.gz PKQIXOUTFCSXFA-MRXNPFEDSA-N 1 2 347.459 0.572 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)CC2)C1 ZINC000949483297 608701676 /nfs/dbraw/zinc/70/16/76/608701676.db2.gz PKQIXOUTFCSXFA-MRXNPFEDSA-N 1 2 347.459 0.572 20 30 ECEDLO C=CCN1CC[C@H](OC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1=O ZINC000923776787 608923571 /nfs/dbraw/zinc/92/35/71/608923571.db2.gz KGHQAZBOCUEPKK-ILXRZTDVSA-N 1 2 338.404 0.196 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC(NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC000947660905 608965688 /nfs/dbraw/zinc/96/56/88/608965688.db2.gz HAYAZTRCDXRFCU-UHFFFAOYSA-N 1 2 340.387 0.881 20 30 ECEDLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000937181122 609020535 /nfs/dbraw/zinc/02/05/35/609020535.db2.gz GRZHQWPPDFDFDS-CYBMUJFWSA-N 1 2 326.360 0.525 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000936279768 609051023 /nfs/dbraw/zinc/05/10/23/609051023.db2.gz KEOOWWWGEPEJIL-YUELXQCFSA-N 1 2 332.404 0.651 20 30 ECEDLO CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H](C)S(C)(=O)=O)CCO2 ZINC000949121105 609064654 /nfs/dbraw/zinc/06/46/54/609064654.db2.gz SCNJTIWHAIYCCF-CQSZACIVSA-N 1 2 342.461 0.136 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3nc(C)no3)[C@H](C)C2)nn1 ZINC000947791770 611692308 /nfs/dbraw/zinc/69/23/08/611692308.db2.gz FWGRJVYBELRLKS-DGCLKSJQSA-N 1 2 345.407 0.938 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(C)no3)[C@H](C)C2)nn1 ZINC000947791770 611692311 /nfs/dbraw/zinc/69/23/11/611692311.db2.gz FWGRJVYBELRLKS-DGCLKSJQSA-N 1 2 345.407 0.938 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)nn1 ZINC000937971419 609442877 /nfs/dbraw/zinc/44/28/77/609442877.db2.gz VUYKARBHGAQHLV-ZDUSSCGKSA-N 1 2 343.391 0.151 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)nn1 ZINC000937971419 609442880 /nfs/dbraw/zinc/44/28/80/609442880.db2.gz VUYKARBHGAQHLV-ZDUSSCGKSA-N 1 2 343.391 0.151 20 30 ECEDLO C#CCn1ccc(CN(CCOC)C(=O)CNc2cccc[nH+]2)n1 ZINC000907838172 609625459 /nfs/dbraw/zinc/62/54/59/609625459.db2.gz CQQIEVGPSVREMK-UHFFFAOYSA-N 1 2 327.388 0.998 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)C2CCC(C(=O)OC)CC2)C1 ZINC000919875087 609664657 /nfs/dbraw/zinc/66/46/57/609664657.db2.gz NZXSMLQBLQYBIP-SLTAFYQDSA-N 1 2 342.461 0.735 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)C2CCC(C(=O)OC)CC2)C1 ZINC000919875087 609664659 /nfs/dbraw/zinc/66/46/59/609664659.db2.gz NZXSMLQBLQYBIP-SLTAFYQDSA-N 1 2 342.461 0.735 20 30 ECEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 ZINC000921439212 609716681 /nfs/dbraw/zinc/71/66/81/609716681.db2.gz VAPLNDJMNWPZBZ-UHFFFAOYSA-N 1 2 340.401 0.832 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000938318735 609732739 /nfs/dbraw/zinc/73/27/39/609732739.db2.gz SDXDMDHTYUIIDP-IMJJTQAJSA-N 1 2 346.431 0.661 20 30 ECEDLO C=CCN1C(=O)c2ccc(C(=O)N3CC[N@@H+](C)[C@@H](CO)C3)cc2C1=O ZINC000913557290 609778121 /nfs/dbraw/zinc/77/81/21/609778121.db2.gz XVRFFDDDTXUOGQ-CYBMUJFWSA-N 1 2 343.383 0.217 20 30 ECEDLO C=CCN1C(=O)c2ccc(C(=O)N3CC[N@H+](C)[C@@H](CO)C3)cc2C1=O ZINC000913557290 609778124 /nfs/dbraw/zinc/77/81/24/609778124.db2.gz XVRFFDDDTXUOGQ-CYBMUJFWSA-N 1 2 343.383 0.217 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000929510757 609795586 /nfs/dbraw/zinc/79/55/86/609795586.db2.gz JRSHXXIFHXCTOP-KGLIPLIRSA-N 1 2 347.381 0.853 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H](O)CN2CCOCC2)c1 ZINC000076748851 611714062 /nfs/dbraw/zinc/71/40/62/611714062.db2.gz LVZGGEPDTYJBEJ-KRWDZBQOSA-N 1 2 331.416 0.231 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](O)CN2CCOCC2)c1 ZINC000076748851 611714065 /nfs/dbraw/zinc/71/40/65/611714065.db2.gz LVZGGEPDTYJBEJ-KRWDZBQOSA-N 1 2 331.416 0.231 20 30 ECEDLO CC(=O)N[C@@H]1CCCN(C(=O)CO[NH+]=C(N)Cc2ccccc2C)C1 ZINC000152041833 609830883 /nfs/dbraw/zinc/83/08/83/609830883.db2.gz NPYIFEVAVXHFAG-MRXNPFEDSA-N 1 2 346.431 0.953 20 30 ECEDLO N#Cc1cc(CS(=O)(=O)N2CC[NH+](CCCO)CC2)cs1 ZINC000914328509 609877632 /nfs/dbraw/zinc/87/76/32/609877632.db2.gz OKRNBNOMKYBUQM-UHFFFAOYSA-N 1 2 329.447 0.450 20 30 ECEDLO N#Cc1cc(F)ccc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000917056447 609959982 /nfs/dbraw/zinc/95/99/82/609959982.db2.gz TUBVJQRJXZKYJJ-AWEZNQCLSA-N 1 2 338.408 0.366 20 30 ECEDLO N#Cc1cc(F)ccc1S(=O)(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000917056447 609959983 /nfs/dbraw/zinc/95/99/83/609959983.db2.gz TUBVJQRJXZKYJJ-AWEZNQCLSA-N 1 2 338.408 0.366 20 30 ECEDLO C=CC[N@@H+](CC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000917069128 609961392 /nfs/dbraw/zinc/96/13/92/609961392.db2.gz IYQONGYRDMASIM-AWEZNQCLSA-N 1 2 332.466 0.545 20 30 ECEDLO C=CC[N@H+](CC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000917069128 609961393 /nfs/dbraw/zinc/96/13/93/609961393.db2.gz IYQONGYRDMASIM-AWEZNQCLSA-N 1 2 332.466 0.545 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000068506086 609987235 /nfs/dbraw/zinc/98/72/35/609987235.db2.gz WSYDDTFOFMOKTA-ZDUSSCGKSA-N 1 2 332.466 0.593 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000938777899 609992145 /nfs/dbraw/zinc/99/21/45/609992145.db2.gz DMUZEKPNRSBEDV-AWEZNQCLSA-N 1 2 326.360 0.456 20 30 ECEDLO CN(C)C(=O)CNC(=S)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000918716497 610015781 /nfs/dbraw/zinc/01/57/81/610015781.db2.gz FQLXRQSFVALMMC-UHFFFAOYSA-N 1 2 345.472 0.639 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000938940776 610053171 /nfs/dbraw/zinc/05/31/71/610053171.db2.gz OIAGXHRBCWLPHL-OAHLLOKOSA-N 1 2 340.387 0.846 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)nc1 ZINC000939908291 610168606 /nfs/dbraw/zinc/16/86/06/610168606.db2.gz MGXSOIHSBGMLHC-HNNXBMFYSA-N 1 2 337.383 0.702 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)c1 ZINC000939934343 610171025 /nfs/dbraw/zinc/17/10/25/610171025.db2.gz PNGOWEBKIWDORM-CYBMUJFWSA-N 1 2 326.360 0.573 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)c1 ZINC000939934343 610171027 /nfs/dbraw/zinc/17/10/27/610171027.db2.gz PNGOWEBKIWDORM-CYBMUJFWSA-N 1 2 326.360 0.573 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC000939564518 610239172 /nfs/dbraw/zinc/23/91/72/610239172.db2.gz HAFKGCQQDJFBBU-MRXNPFEDSA-N 1 2 337.383 0.702 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H](N(C)C(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000939564866 610239254 /nfs/dbraw/zinc/23/92/54/610239254.db2.gz KKFFJTLSDYGHPH-HNNXBMFYSA-N 1 2 337.383 0.702 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3OCC[C@H]3C(C)C)CC2)C1 ZINC000941412795 610302648 /nfs/dbraw/zinc/30/26/48/610302648.db2.gz LPJJQFJEWYTAJK-ROUUACIJSA-N 1 2 333.476 0.899 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccnn3C(F)F)CC2)C1 ZINC000941419973 610306182 /nfs/dbraw/zinc/30/61/82/610306182.db2.gz NTNWDYSKCAMKNP-UHFFFAOYSA-N 1 2 337.374 0.744 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCOC[C@H]3OC)CC2)C1 ZINC000941432752 610312723 /nfs/dbraw/zinc/31/27/23/610312723.db2.gz FRJZZTNGVKPQOM-FUHWJXTLSA-N 1 2 349.475 0.280 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cncc(COC)c3)CC2)C1 ZINC000941440831 610316702 /nfs/dbraw/zinc/31/67/02/610316702.db2.gz UILMUEMNXGEHDU-UHFFFAOYSA-N 1 2 342.443 0.693 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cn3nc(C)cc3C)CC2)C1 ZINC000941480546 610335386 /nfs/dbraw/zinc/33/53/86/610335386.db2.gz OAHIPMONBKSJHH-UHFFFAOYSA-N 1 2 329.448 0.352 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c(C)cc(C)[nH]c3=O)CC2)C1 ZINC000941504483 610347269 /nfs/dbraw/zinc/34/72/69/610347269.db2.gz BUGYXBDNSYENED-UHFFFAOYSA-N 1 2 342.443 0.869 20 30 ECEDLO N#CCN1CC(N2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC2)C1 ZINC000941563944 610384570 /nfs/dbraw/zinc/38/45/70/610384570.db2.gz QHYXUIREBCKWRB-CQSZACIVSA-N 1 2 328.420 0.182 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3nc(C)ncc3Cl)CC2)C1 ZINC000941591952 610388089 /nfs/dbraw/zinc/38/80/89/610388089.db2.gz DMDKPHPCIFLJNT-UHFFFAOYSA-N 1 2 347.850 0.904 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnc4cccnn34)CC2)C1 ZINC000941595802 610390618 /nfs/dbraw/zinc/39/06/18/610390618.db2.gz ONHQZSZWGDFFMH-UHFFFAOYSA-N 1 2 338.415 0.195 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(C)nn3CC)CC2)C1 ZINC000941578239 610391311 /nfs/dbraw/zinc/39/13/11/610391311.db2.gz FVKVPOMONMTSEQ-UHFFFAOYSA-N 1 2 329.448 0.677 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(CCC)[nH]c(=O)c3)CC2)C1 ZINC000941599742 610400681 /nfs/dbraw/zinc/40/06/81/610400681.db2.gz HWWPITJDBOJEDY-UHFFFAOYSA-N 1 2 342.443 0.815 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)COc3cccnc3)CC2)C1 ZINC000941607136 610405088 /nfs/dbraw/zinc/40/50/88/610405088.db2.gz IJEPGRNFEPZPKK-UHFFFAOYSA-N 1 2 328.416 0.312 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc4cccnn43)CC2)C1 ZINC000941597069 610414524 /nfs/dbraw/zinc/41/45/24/610414524.db2.gz ZWQCHIIHWVHKED-UHFFFAOYSA-N 1 2 337.427 0.800 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)C(C)(C)c3cnn(C)c3)CC2)C1 ZINC000941627881 610416433 /nfs/dbraw/zinc/41/64/33/610416433.db2.gz NBIATWVCDCOEMP-UHFFFAOYSA-N 1 2 329.448 0.159 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C(=O)N3CCC[C@@H]3CC)CC2)C1 ZINC000941632821 610419076 /nfs/dbraw/zinc/41/90/76/610419076.db2.gz SPQMBDHOHOAYJT-INIZCTEOSA-N 1 2 346.475 0.239 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3Cc4cccc(F)c4O3)CC2)C1 ZINC000941671268 610444715 /nfs/dbraw/zinc/44/47/15/610444715.db2.gz FYRPSTKMUOEWEQ-KRWDZBQOSA-N 1 2 343.402 0.591 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC000941672750 610445925 /nfs/dbraw/zinc/44/59/25/610445925.db2.gz ZSNICOUYLMDCPG-HNNXBMFYSA-N 1 2 341.459 0.366 20 30 ECEDLO C=CCn1cc(C(=O)N2CCCN(C(=O)Cc3c[nH+]c[nH]3)CC2)nn1 ZINC000941091879 610532294 /nfs/dbraw/zinc/53/22/94/610532294.db2.gz VDTBFMRRMJJPJH-UHFFFAOYSA-N 1 2 343.391 0.104 20 30 ECEDLO CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000942719206 610583899 /nfs/dbraw/zinc/58/38/99/610583899.db2.gz IUUQOOOXFUZWQY-HZPDHXFCSA-N 1 2 333.432 0.180 20 30 ECEDLO CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000942719206 610583901 /nfs/dbraw/zinc/58/39/01/610583901.db2.gz IUUQOOOXFUZWQY-HZPDHXFCSA-N 1 2 333.432 0.180 20 30 ECEDLO CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000942719203 610583909 /nfs/dbraw/zinc/58/39/09/610583909.db2.gz IUUQOOOXFUZWQY-CVEARBPZSA-N 1 2 333.432 0.180 20 30 ECEDLO CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000942719203 610583911 /nfs/dbraw/zinc/58/39/11/610583911.db2.gz IUUQOOOXFUZWQY-CVEARBPZSA-N 1 2 333.432 0.180 20 30 ECEDLO C[C@H]1C[N@H+](Cc2nncn2C)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941961856 610585112 /nfs/dbraw/zinc/58/51/12/610585112.db2.gz ABVMMDTVKPPUJJ-FZMZJTMJSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@H]1C[N@@H+](Cc2nncn2C)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941961856 610585114 /nfs/dbraw/zinc/58/51/14/610585114.db2.gz ABVMMDTVKPPUJJ-FZMZJTMJSA-N 1 2 327.392 0.655 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000942084187 610642498 /nfs/dbraw/zinc/64/24/98/610642498.db2.gz HJABFRPJZSAYDJ-KGLIPLIRSA-N 1 2 332.404 0.604 20 30 ECEDLO Cc1nn(C)cc1C[NH+]1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC000941348882 610685544 /nfs/dbraw/zinc/68/55/44/610685544.db2.gz RWDSLRDLGIELPS-ZDUSSCGKSA-N 1 2 330.436 0.217 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3nccn3C)C[C@@H]2C)nn1 ZINC000943480270 610867532 /nfs/dbraw/zinc/86/75/32/610867532.db2.gz BNPALCAMERAABM-UONOGXRCSA-N 1 2 343.435 0.838 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3nccn3C)C[C@@H]2C)nn1 ZINC000943480270 610867533 /nfs/dbraw/zinc/86/75/33/610867533.db2.gz BNPALCAMERAABM-UONOGXRCSA-N 1 2 343.435 0.838 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CN(C(=O)C#CC3CC3)CC[C@@H]21 ZINC000945954620 611174657 /nfs/dbraw/zinc/17/46/57/611174657.db2.gz RPTYWOCGBAWOSP-RDJZCZTQSA-N 1 2 340.427 0.825 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)CC[C@H]21 ZINC000945954618 611174695 /nfs/dbraw/zinc/17/46/95/611174695.db2.gz RPTYWOCGBAWOSP-NVXWUHKLSA-N 1 2 340.427 0.825 20 30 ECEDLO N#C[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC000921545020 611247637 /nfs/dbraw/zinc/24/76/37/611247637.db2.gz UAXINKJIJGDUFX-JKSUJKDBSA-N 1 2 348.447 0.366 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](OC)C1 ZINC000946438972 611267107 /nfs/dbraw/zinc/26/71/07/611267107.db2.gz LFWZJPSOMMHZCX-XNJGSVPQSA-N 1 2 334.420 0.897 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCc2c([nH+]cn2CC)C1 ZINC000922030191 611332094 /nfs/dbraw/zinc/33/20/94/611332094.db2.gz UCCVASUWMLLVHX-GFCCVEGCSA-N 1 2 325.438 0.987 20 30 ECEDLO C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCO[C@](C)(C#N)C1 ZINC000933602364 611735225 /nfs/dbraw/zinc/73/52/25/611735225.db2.gz YTNKSWMJLXWJOQ-MAUKXSAKSA-N 1 2 343.431 0.733 20 30 ECEDLO C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCO[C@@](C)(C#N)C1 ZINC000933602449 611735259 /nfs/dbraw/zinc/73/52/59/611735259.db2.gz YTNKSWMJLXWJOQ-YJBOKZPZSA-N 1 2 343.431 0.733 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CSCC(=O)N3)CC2)cc1 ZINC000929363452 611748477 /nfs/dbraw/zinc/74/84/77/611748477.db2.gz RICZRHKXEIAEDN-HNNXBMFYSA-N 1 2 344.440 0.434 20 30 ECEDLO CC(C)(C(=O)N1CC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1)c1c[nH+]c[nH]1 ZINC000949283266 611927888 /nfs/dbraw/zinc/92/78/88/611927888.db2.gz KEPOBXINWSNHPI-GFCCVEGCSA-N 1 2 340.387 0.918 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)Cc3ccn(CC)n3)CC2)C1 ZINC000949373367 611955384 /nfs/dbraw/zinc/95/53/84/611955384.db2.gz RMYQFRBRGPEVAK-UHFFFAOYSA-N 1 2 330.432 0.772 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)Cc3ccn(CC)n3)CC2)C1 ZINC000949373367 611955387 /nfs/dbraw/zinc/95/53/87/611955387.db2.gz RMYQFRBRGPEVAK-UHFFFAOYSA-N 1 2 330.432 0.772 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCNC(=O)CC3)CC2)C1 ZINC000949427119 611975581 /nfs/dbraw/zinc/97/55/81/611975581.db2.gz FHZFIKDMTCNASW-HNNXBMFYSA-N 1 2 333.432 0.229 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCNC(=O)CC3)CC2)C1 ZINC000949427119 611975583 /nfs/dbraw/zinc/97/55/83/611975583.db2.gz FHZFIKDMTCNASW-HNNXBMFYSA-N 1 2 333.432 0.229 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](CC)N3CCCC3=O)CC2)C1 ZINC000949529502 612022473 /nfs/dbraw/zinc/02/24/73/612022473.db2.gz XEBQFDUPIWXWDT-MRXNPFEDSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](CC)N3CCCC3=O)CC2)C1 ZINC000949529502 612022474 /nfs/dbraw/zinc/02/24/74/612022474.db2.gz XEBQFDUPIWXWDT-MRXNPFEDSA-N 1 2 347.459 0.714 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NCC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)c1 ZINC000949568313 612033244 /nfs/dbraw/zinc/03/32/44/612033244.db2.gz DLBRIARKGWGPIH-UHFFFAOYSA-N 1 2 340.387 0.821 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000951255200 612109213 /nfs/dbraw/zinc/10/92/13/612109213.db2.gz KPTJFRVWWQJACL-OAGGEKHMSA-N 1 2 346.431 0.972 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC000952944918 612134996 /nfs/dbraw/zinc/13/49/96/612134996.db2.gz NMSJFUKPTJLKHL-KDOFPFPSSA-N 1 2 343.431 0.963 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000953168854 612190301 /nfs/dbraw/zinc/19/03/01/612190301.db2.gz UUQHZSCANDEJBW-SFHVURJKSA-N 1 2 326.400 0.748 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)CCn2cc[nH+]c2)nc1 ZINC000951377802 612194505 /nfs/dbraw/zinc/19/45/05/612194505.db2.gz HLHOUNNEEXRKJJ-HNNXBMFYSA-N 1 2 337.383 0.680 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000952067346 612210372 /nfs/dbraw/zinc/21/03/72/612210372.db2.gz UPUCQIXTDZVOIG-IMJJTQAJSA-N 1 2 346.431 0.661 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)Cc2c[nH+]cn2C)cc1 ZINC000951440061 612234698 /nfs/dbraw/zinc/23/46/98/612234698.db2.gz XLGDFSUEJYECGB-MRXNPFEDSA-N 1 2 336.395 0.975 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000953370143 612277400 /nfs/dbraw/zinc/27/74/00/612277400.db2.gz OTQKIWBYONTGLT-HZPDHXFCSA-N 1 2 326.400 0.746 20 30 ECEDLO C#CCN1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000195337547 612396962 /nfs/dbraw/zinc/39/69/62/612396962.db2.gz NMEMFYXRLGXWBU-UHFFFAOYSA-N 1 2 329.448 0.410 20 30 ECEDLO CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1CN(C(=O)C#CC2CC2)C1 ZINC000954607608 612444415 /nfs/dbraw/zinc/44/44/15/612444415.db2.gz ZYZRRFRAABTVIN-AWEZNQCLSA-N 1 2 326.400 0.528 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000955364743 612503100 /nfs/dbraw/zinc/50/31/00/612503100.db2.gz RZUMCNPDLFLUNK-CABCVRRESA-N 1 2 332.404 0.223 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000953990241 612528359 /nfs/dbraw/zinc/52/83/59/612528359.db2.gz PUFGZNBZEYBKDT-UHFFFAOYSA-N 1 2 340.387 0.870 20 30 ECEDLO CN(C(=O)Cc1c[nH+]cn1C)C1CCN(C(=O)C#CC2CC2)CC1 ZINC000954095749 612655224 /nfs/dbraw/zinc/65/52/24/612655224.db2.gz QCVZRRRRLOYADY-UHFFFAOYSA-N 1 2 328.416 0.825 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000955627086 612714589 /nfs/dbraw/zinc/71/45/89/612714589.db2.gz JYBUJZGGHAWSBV-VXGBXAGGSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000955634101 612721161 /nfs/dbraw/zinc/72/11/61/612721161.db2.gz WSCXCDAKANGRCG-OCCSQVGLSA-N 1 2 340.387 0.892 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)Cc3ccoc3)C2)CC1 ZINC000956605903 612924757 /nfs/dbraw/zinc/92/47/57/612924757.db2.gz NGXYLVOKQUFMKC-ZBFHGGJFSA-N 1 2 344.415 0.727 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccnc4c3ncn4C)[C@H]2C1 ZINC001083188303 731764296 /nfs/dbraw/zinc/76/42/96/731764296.db2.gz OHBCLYHCXKIPJR-LSDHHAIUSA-N 1 2 339.399 0.517 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccnc4c3ncn4C)[C@H]2C1 ZINC001083188303 731764299 /nfs/dbraw/zinc/76/42/99/731764299.db2.gz OHBCLYHCXKIPJR-LSDHHAIUSA-N 1 2 339.399 0.517 20 30 ECEDLO CN(C[C@@H](O)CN(C)c1ccc(C#N)nc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001125299402 731913630 /nfs/dbraw/zinc/91/36/30/731913630.db2.gz NENPZVDUFHGETD-HNNXBMFYSA-N 1 2 328.376 0.175 20 30 ECEDLO Cc1nsc(N(C)C[C@H](O)CN(C)C(=O)Cc2c[nH+]c[nH]2)c1C#N ZINC001125299564 731918415 /nfs/dbraw/zinc/91/84/15/731918415.db2.gz RDPPKQOARSLNIK-GFCCVEGCSA-N 1 2 348.432 0.545 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H](C)C2C[NH+](Cc3cncn3C)C2)nn1 ZINC000970553446 733669433 /nfs/dbraw/zinc/66/94/33/733669433.db2.gz WMWCSOASHUTKJG-CYBMUJFWSA-N 1 2 343.435 0.838 20 30 ECEDLO Cc1nsc(N2CCO[C@@H](CNC(=O)Cn3cc[nH+]c3)C2)c1C#N ZINC001104321449 734296649 /nfs/dbraw/zinc/29/66/49/734296649.db2.gz FGWNMMSWHFWIPQ-LBPRGKRZSA-N 1 2 346.416 0.541 20 30 ECEDLO Cc1nsc(N2CCO[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)c1C#N ZINC001104326488 734324769 /nfs/dbraw/zinc/32/47/69/734324769.db2.gz MWJITAZOYUTQNF-NSHDSACASA-N 1 2 346.416 0.610 20 30 ECEDLO N#Cc1ccc(NCC2(O)CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)cn1 ZINC001067478390 734329278 /nfs/dbraw/zinc/32/92/78/734329278.db2.gz BOJUFGCLSODFBY-UHFFFAOYSA-N 1 2 340.387 0.684 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([N@H+](C)Cc2nc(-c3ccncn3)no2)C1 ZINC000971212229 734363460 /nfs/dbraw/zinc/36/34/60/734363460.db2.gz XDCRJEKFDTVCGR-VXGBXAGGSA-N 1 2 341.375 0.719 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(-c3ccncn3)no2)C1 ZINC000971212229 734363464 /nfs/dbraw/zinc/36/34/64/734363464.db2.gz XDCRJEKFDTVCGR-VXGBXAGGSA-N 1 2 341.375 0.719 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([N@H+](C)Cc2nc(-c3ccncn3)no2)C1 ZINC000971212227 734363522 /nfs/dbraw/zinc/36/35/22/734363522.db2.gz XDCRJEKFDTVCGR-NWDGAFQWSA-N 1 2 341.375 0.719 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([N@@H+](C)Cc2nc(-c3ccncn3)no2)C1 ZINC000971212227 734363524 /nfs/dbraw/zinc/36/35/24/734363524.db2.gz XDCRJEKFDTVCGR-NWDGAFQWSA-N 1 2 341.375 0.719 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)CCc3nc[nH]n3)C2)C1=O ZINC000971302209 734432128 /nfs/dbraw/zinc/43/21/28/734432128.db2.gz ULQYMWDKBDZKLQ-KGLIPLIRSA-N 1 2 346.435 0.057 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)CCc3nc[nH]n3)C2)C1=O ZINC000971302209 734432129 /nfs/dbraw/zinc/43/21/29/734432129.db2.gz ULQYMWDKBDZKLQ-KGLIPLIRSA-N 1 2 346.435 0.057 20 30 ECEDLO N#Cc1cccnc1N1CCO[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001104338034 734435966 /nfs/dbraw/zinc/43/59/66/734435966.db2.gz LHDRFCDUXAWNJI-OAHLLOKOSA-N 1 2 340.387 0.561 20 30 ECEDLO Cn1nnnc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C#CC1CC1 ZINC001025228773 738848105 /nfs/dbraw/zinc/84/81/05/738848105.db2.gz DKJFHUNNKCBJGZ-CVEARBPZSA-N 1 2 342.447 0.969 20 30 ECEDLO Cn1nnnc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C#CC1CC1 ZINC001025228773 738848108 /nfs/dbraw/zinc/84/81/08/738848108.db2.gz DKJFHUNNKCBJGZ-CVEARBPZSA-N 1 2 342.447 0.969 20 30 ECEDLO C#CCNC(=O)CC(=O)NCC1(Nc2cc[nH+]c(C)n2)CCCC1 ZINC001104379500 735057155 /nfs/dbraw/zinc/05/71/55/735057155.db2.gz WOJOIMGGSPEGLL-UHFFFAOYSA-N 1 2 329.404 0.765 20 30 ECEDLO C=CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001041963736 782503472 /nfs/dbraw/zinc/50/34/72/782503472.db2.gz YOXIVYQLAXDDNH-ZDUSSCGKSA-N 1 2 332.404 0.101 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn4ccc(C)nc34)[C@H]2C1 ZINC001083250816 736086044 /nfs/dbraw/zinc/08/60/44/736086044.db2.gz MEZNRZIWDRWYNU-LSDHHAIUSA-N 1 2 325.372 0.196 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn4ccc(C)nc34)[C@H]2C1 ZINC001083250816 736086046 /nfs/dbraw/zinc/08/60/46/736086046.db2.gz MEZNRZIWDRWYNU-LSDHHAIUSA-N 1 2 325.372 0.196 20 30 ECEDLO COC(=O)[C@H](CS)Nc1ccc(OCC[NH+]2CCOCC2)nc1 ZINC001167623891 736124147 /nfs/dbraw/zinc/12/41/47/736124147.db2.gz AMWUAVUHYJBKMC-ZDUSSCGKSA-N 1 2 341.433 0.676 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(C(N)=O)c3)C2)C1 ZINC000972437882 736193736 /nfs/dbraw/zinc/19/37/36/736193736.db2.gz MMSDYEPQIWPAIO-IBGZPJMESA-N 1 2 341.411 0.726 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cccc(C(N)=O)c3)C2)C1 ZINC000972437882 736193739 /nfs/dbraw/zinc/19/37/39/736193739.db2.gz MMSDYEPQIWPAIO-IBGZPJMESA-N 1 2 341.411 0.726 20 30 ECEDLO C#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC000972437876 736193788 /nfs/dbraw/zinc/19/37/88/736193788.db2.gz MKIBRSPAWZPPPE-QAPCUYQASA-N 1 2 328.416 0.382 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCn4cncc4C3)C2)C1 ZINC000972439757 736197877 /nfs/dbraw/zinc/19/78/77/736197877.db2.gz XSEBQKLGIZUHBG-QAPCUYQASA-N 1 2 330.432 0.935 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCn4cncc4C3)C2)C1 ZINC000972439757 736197878 /nfs/dbraw/zinc/19/78/78/736197878.db2.gz XSEBQKLGIZUHBG-QAPCUYQASA-N 1 2 330.432 0.935 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 ZINC000972456284 736246145 /nfs/dbraw/zinc/24/61/45/736246145.db2.gz VVQDVQIHGFJFOG-MJGOQNOKSA-N 1 2 326.396 0.927 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 ZINC000972456284 736246149 /nfs/dbraw/zinc/24/61/49/736246149.db2.gz VVQDVQIHGFJFOG-MJGOQNOKSA-N 1 2 326.396 0.927 20 30 ECEDLO N#CCN1CCO[C@]2(CCN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC000972462747 736258062 /nfs/dbraw/zinc/25/80/62/736258062.db2.gz JIXZJMCWNRTYFE-QGZVFWFLSA-N 1 2 325.372 0.775 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nncn4CC3)C2)C1 ZINC000972470304 736276782 /nfs/dbraw/zinc/27/67/82/736276782.db2.gz CQOZRHACNLXDNW-CRAIPNDOSA-N 1 2 343.431 0.167 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nncn4CC3)C2)C1 ZINC000972470304 736276787 /nfs/dbraw/zinc/27/67/87/736276787.db2.gz CQOZRHACNLXDNW-CRAIPNDOSA-N 1 2 343.431 0.167 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(C)c(C)n[nH]c3=O)C2)C1 ZINC000972492830 736382024 /nfs/dbraw/zinc/38/20/24/736382024.db2.gz RWNBHAWBZCPMEI-QGZVFWFLSA-N 1 2 330.388 0.349 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(C)c(C)n[nH]c3=O)C2)C1 ZINC000972492830 736382026 /nfs/dbraw/zinc/38/20/26/736382026.db2.gz RWNBHAWBZCPMEI-QGZVFWFLSA-N 1 2 330.388 0.349 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCCN(CC)c1[nH+]cnc2c1cnn2C ZINC001100620758 736445006 /nfs/dbraw/zinc/44/50/06/736445006.db2.gz WWZJGSAXVVACSX-LBPRGKRZSA-N 1 2 330.392 0.344 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc4n3CCCC4)C2)C1 ZINC000972514312 736507606 /nfs/dbraw/zinc/50/76/06/736507606.db2.gz NPBCBQQHGIGBAP-GOSISDBHSA-N 1 2 328.416 0.770 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc4n3CCCC4)C2)C1 ZINC000972514312 736507608 /nfs/dbraw/zinc/50/76/08/736507608.db2.gz NPBCBQQHGIGBAP-GOSISDBHSA-N 1 2 328.416 0.770 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccc(=O)[nH]c3)C2)C1 ZINC000972516697 736524823 /nfs/dbraw/zinc/52/48/23/736524823.db2.gz BRUZRZPXWVAECG-SFHVURJKSA-N 1 2 329.400 0.656 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccc(=O)[nH]c3)C2)C1 ZINC000972516697 736524824 /nfs/dbraw/zinc/52/48/24/736524824.db2.gz BRUZRZPXWVAECG-SFHVURJKSA-N 1 2 329.400 0.656 20 30 ECEDLO N#Cc1cncc(NCC2(O)CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)n1 ZINC001067487388 736559022 /nfs/dbraw/zinc/55/90/22/736559022.db2.gz QQOUHXJWJGZPBC-UHFFFAOYSA-N 1 2 341.375 0.079 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccnc4c3nnn4C)C2)C1 ZINC000972524350 736572324 /nfs/dbraw/zinc/57/23/24/736572324.db2.gz RKXTWBYTNADMPW-QGZVFWFLSA-N 1 2 342.403 0.466 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccnc4c3nnn4C)C2)C1 ZINC000972524350 736572327 /nfs/dbraw/zinc/57/23/27/736572327.db2.gz RKXTWBYTNADMPW-QGZVFWFLSA-N 1 2 342.403 0.466 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC000972544647 736657142 /nfs/dbraw/zinc/65/71/42/736657142.db2.gz NJFDMLTYCVICOP-SNVBAGLBSA-N 1 2 328.214 0.870 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC000972544647 736657144 /nfs/dbraw/zinc/65/71/44/736657144.db2.gz NJFDMLTYCVICOP-SNVBAGLBSA-N 1 2 328.214 0.870 20 30 ECEDLO Cc1nnc(C[N@@H+]2CCC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)[nH]1 ZINC001023320006 736680478 /nfs/dbraw/zinc/68/04/78/736680478.db2.gz OAPZRKKFIBROKY-GFCCVEGCSA-N 1 2 327.392 0.955 20 30 ECEDLO Cc1nnc(C[N@H+]2CCC[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)[nH]1 ZINC001023320006 736680480 /nfs/dbraw/zinc/68/04/80/736680480.db2.gz OAPZRKKFIBROKY-GFCCVEGCSA-N 1 2 327.392 0.955 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccnc(OC)c3)C2)C1 ZINC000972551549 736700394 /nfs/dbraw/zinc/70/03/94/736700394.db2.gz CHMQNXITVNTMDJ-SFHVURJKSA-N 1 2 329.400 0.569 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccnc(OC)c3)C2)C1 ZINC000972551549 736700398 /nfs/dbraw/zinc/70/03/98/736700398.db2.gz CHMQNXITVNTMDJ-SFHVURJKSA-N 1 2 329.400 0.569 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3nccn4ccnc34)C2)C1 ZINC000972556103 736745525 /nfs/dbraw/zinc/74/55/25/736745525.db2.gz CFDOFVAOUYTKQB-QGZVFWFLSA-N 1 2 327.388 0.832 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3nccn4ccnc34)C2)C1 ZINC000972556103 736745527 /nfs/dbraw/zinc/74/55/27/736745527.db2.gz CFDOFVAOUYTKQB-QGZVFWFLSA-N 1 2 327.388 0.832 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3nccn4ccnc34)C2)C1 ZINC000972558171 736759677 /nfs/dbraw/zinc/75/96/77/736759677.db2.gz XJOXNKOUNAHVHL-GOSISDBHSA-N 1 2 339.399 0.670 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3nccn4ccnc34)C2)C1 ZINC000972558171 736759679 /nfs/dbraw/zinc/75/96/79/736759679.db2.gz XJOXNKOUNAHVHL-GOSISDBHSA-N 1 2 339.399 0.670 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3nc(C4CC4)no3)C2)C1 ZINC000972585211 736969448 /nfs/dbraw/zinc/96/94/48/736969448.db2.gz KAZZOCIHQCYRGX-SFHVURJKSA-N 1 2 344.415 0.816 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3nc(C4CC4)no3)C2)C1 ZINC000972585211 736969452 /nfs/dbraw/zinc/96/94/52/736969452.db2.gz KAZZOCIHQCYRGX-SFHVURJKSA-N 1 2 344.415 0.816 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 ZINC000972600945 737061438 /nfs/dbraw/zinc/06/14/38/737061438.db2.gz FJDZXLBEBSHPQG-QGZVFWFLSA-N 1 2 340.387 0.065 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 ZINC000972600945 737061442 /nfs/dbraw/zinc/06/14/42/737061442.db2.gz FJDZXLBEBSHPQG-QGZVFWFLSA-N 1 2 340.387 0.065 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3coc(COC)n3)C2)C1 ZINC000972616946 737104252 /nfs/dbraw/zinc/10/42/52/737104252.db2.gz KKTUYOBMSAHAGN-KRWDZBQOSA-N 1 2 333.388 0.761 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3coc(COC)n3)C2)C1 ZINC000972616946 737104255 /nfs/dbraw/zinc/10/42/55/737104255.db2.gz KKTUYOBMSAHAGN-KRWDZBQOSA-N 1 2 333.388 0.761 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3coc(COC)n3)C2)C1 ZINC000972616947 737104376 /nfs/dbraw/zinc/10/43/76/737104376.db2.gz KKTUYOBMSAHAGN-QGZVFWFLSA-N 1 2 333.388 0.761 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3coc(COC)n3)C2)C1 ZINC000972616947 737104378 /nfs/dbraw/zinc/10/43/78/737104378.db2.gz KKTUYOBMSAHAGN-QGZVFWFLSA-N 1 2 333.388 0.761 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn(CC4CC4)nn3)C2)C1 ZINC000972617819 737106702 /nfs/dbraw/zinc/10/67/02/737106702.db2.gz SSZRPKDHFFRYIZ-SFHVURJKSA-N 1 2 343.431 0.628 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(CC4CC4)nn3)C2)C1 ZINC000972617819 737106703 /nfs/dbraw/zinc/10/67/03/737106703.db2.gz SSZRPKDHFFRYIZ-SFHVURJKSA-N 1 2 343.431 0.628 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)cc1F ZINC000981971939 751386800 /nfs/dbraw/zinc/38/68/00/751386800.db2.gz HCGYTDFYLFJFLB-CABCVRRESA-N 1 2 344.390 0.853 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)cc1F ZINC000981971939 751386804 /nfs/dbraw/zinc/38/68/04/751386804.db2.gz HCGYTDFYLFJFLB-CABCVRRESA-N 1 2 344.390 0.853 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3nnc(C)[nH]3)C2)nn1 ZINC001023637031 737122905 /nfs/dbraw/zinc/12/29/05/737122905.db2.gz BIEAWKQNAXXEKS-ZDUSSCGKSA-N 1 2 344.423 0.533 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3nnc(C)[nH]3)C2)nn1 ZINC001023637031 737122907 /nfs/dbraw/zinc/12/29/07/737122907.db2.gz BIEAWKQNAXXEKS-ZDUSSCGKSA-N 1 2 344.423 0.533 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cn(C)nn3)C2)nn1 ZINC001023637871 737124178 /nfs/dbraw/zinc/12/41/78/737124178.db2.gz UAFPJDGZPADERN-ZDUSSCGKSA-N 1 2 344.423 0.235 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cn(C)nn3)C2)nn1 ZINC001023637871 737124183 /nfs/dbraw/zinc/12/41/83/737124183.db2.gz UAFPJDGZPADERN-ZDUSSCGKSA-N 1 2 344.423 0.235 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ncccn3)C2)nn1 ZINC001023638126 737125030 /nfs/dbraw/zinc/12/50/30/737125030.db2.gz XUCKAKHAROGHCE-AWEZNQCLSA-N 1 2 341.419 0.896 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ncccn3)C2)nn1 ZINC001023638126 737125033 /nfs/dbraw/zinc/12/50/33/737125033.db2.gz XUCKAKHAROGHCE-AWEZNQCLSA-N 1 2 341.419 0.896 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc(OC)nc3)C2)C1 ZINC000972624389 737136380 /nfs/dbraw/zinc/13/63/80/737136380.db2.gz OKGABRKMWIPSLW-QGZVFWFLSA-N 1 2 330.388 0.425 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc(OC)nc3)C2)C1 ZINC000972624389 737136383 /nfs/dbraw/zinc/13/63/83/737136383.db2.gz OKGABRKMWIPSLW-QGZVFWFLSA-N 1 2 330.388 0.425 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(C)CCN(C(C)=O)C3)C2)C1 ZINC000972626232 737142527 /nfs/dbraw/zinc/14/25/27/737142527.db2.gz ALWGNQFKBLJKOF-MSOLQXFVSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@]3(C)CCN(C(C)=O)C3)C2)C1 ZINC000972626232 737142530 /nfs/dbraw/zinc/14/25/30/737142530.db2.gz ALWGNQFKBLJKOF-MSOLQXFVSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCN(C(C)=O)C3)C2)C1 ZINC000972626241 737142850 /nfs/dbraw/zinc/14/28/50/737142850.db2.gz ALWGNQFKBLJKOF-ZWKOTPCHSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCN(C(C)=O)C3)C2)C1 ZINC000972626241 737142852 /nfs/dbraw/zinc/14/28/52/737142852.db2.gz ALWGNQFKBLJKOF-ZWKOTPCHSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCN(C(=O)CC)C3)C2)C1 ZINC000972631070 737165594 /nfs/dbraw/zinc/16/55/94/737165594.db2.gz JSNVVFYYDOGFND-YJBOKZPZSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCN(C(=O)CC)C3)C2)C1 ZINC000972631070 737165595 /nfs/dbraw/zinc/16/55/95/737165595.db2.gz JSNVVFYYDOGFND-YJBOKZPZSA-N 1 2 333.432 0.181 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCCN3C(N)=O)C2)C1 ZINC000972634578 737181669 /nfs/dbraw/zinc/18/16/69/737181669.db2.gz MUYBIFDMDPYFDJ-RHSMWYFYSA-N 1 2 336.436 0.409 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCCN3C(N)=O)C2)C1 ZINC000972634578 737181673 /nfs/dbraw/zinc/18/16/73/737181673.db2.gz MUYBIFDMDPYFDJ-RHSMWYFYSA-N 1 2 336.436 0.409 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 ZINC000972669813 737317990 /nfs/dbraw/zinc/31/79/90/737317990.db2.gz SPDLVLUZLUMMBI-LJQANCHMSA-N 1 2 341.411 0.726 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 ZINC000972669813 737317992 /nfs/dbraw/zinc/31/79/92/737317992.db2.gz SPDLVLUZLUMMBI-LJQANCHMSA-N 1 2 341.411 0.726 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN3C(=O)C(C)C)C2)C1 ZINC000972673621 737343084 /nfs/dbraw/zinc/34/30/84/737343084.db2.gz KBNORIAMVYMOGV-LPHOPBHVSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN3C(=O)C(C)C)C2)C1 ZINC000972673621 737343088 /nfs/dbraw/zinc/34/30/88/737343088.db2.gz KBNORIAMVYMOGV-LPHOPBHVSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3nc(C4CC4)nn3C)C2)C1 ZINC000972684341 737374405 /nfs/dbraw/zinc/37/44/05/737374405.db2.gz RNNWQTJFWLSAIM-SFHVURJKSA-N 1 2 343.431 0.172 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3nc(C4CC4)nn3C)C2)C1 ZINC000972684341 737374410 /nfs/dbraw/zinc/37/44/10/737374410.db2.gz RNNWQTJFWLSAIM-SFHVURJKSA-N 1 2 343.431 0.172 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3nn(CC)nc3C)C2)C1 ZINC000972702291 737485136 /nfs/dbraw/zinc/48/51/36/737485136.db2.gz JAMXTSMICQKUHC-QGZVFWFLSA-N 1 2 331.420 0.547 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3nn(CC)nc3C)C2)C1 ZINC000972702291 737485139 /nfs/dbraw/zinc/48/51/39/737485139.db2.gz JAMXTSMICQKUHC-QGZVFWFLSA-N 1 2 331.420 0.547 20 30 ECEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC000972722026 737552947 /nfs/dbraw/zinc/55/29/47/737552947.db2.gz ULQVIQVPLNRKLY-JTQLQIEISA-N 1 2 336.783 0.316 20 30 ECEDLO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC000972722026 737552949 /nfs/dbraw/zinc/55/29/49/737552949.db2.gz ULQVIQVPLNRKLY-JTQLQIEISA-N 1 2 336.783 0.316 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2nnc[nH]2)C1=O ZINC001024718587 738247249 /nfs/dbraw/zinc/24/72/49/738247249.db2.gz WPDKTKHKQNUKKS-OLZOCXBDSA-N 1 2 332.408 0.176 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2nnc[nH]2)C1=O ZINC001024718587 738247251 /nfs/dbraw/zinc/24/72/51/738247251.db2.gz WPDKTKHKQNUKKS-OLZOCXBDSA-N 1 2 332.408 0.176 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C(N)=O)cc3)[C@H]2C1 ZINC001083272415 738308635 /nfs/dbraw/zinc/30/86/35/738308635.db2.gz MENMYZKOFSSGDQ-JKSUJKDBSA-N 1 2 327.384 0.334 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C(N)=O)cc3)[C@H]2C1 ZINC001083272415 738308637 /nfs/dbraw/zinc/30/86/37/738308637.db2.gz MENMYZKOFSSGDQ-JKSUJKDBSA-N 1 2 327.384 0.334 20 30 ECEDLO C=CCN(CC=C)C(=O)C[NH2+]Cc1cn([C@H]2CCN(C(C)=O)C2)nn1 ZINC001098591221 738310660 /nfs/dbraw/zinc/31/06/60/738310660.db2.gz ATUACQCRMCFPFR-INIZCTEOSA-N 1 2 346.435 0.362 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)Cc3c(C)nn(C)c3C)[C@H]2C1 ZINC001083279826 739105018 /nfs/dbraw/zinc/10/50/18/739105018.db2.gz RBPXLMXMUGXOCK-JEBQAFNWSA-N 1 2 344.459 0.760 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)Cc3c(C)nn(C)c3C)[C@H]2C1 ZINC001083279826 739105020 /nfs/dbraw/zinc/10/50/20/739105020.db2.gz RBPXLMXMUGXOCK-JEBQAFNWSA-N 1 2 344.459 0.760 20 30 ECEDLO C[C@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001104730497 739546084 /nfs/dbraw/zinc/54/60/84/739546084.db2.gz YGPODMISZGKUSG-CHWSQXEVSA-N 1 2 339.403 0.488 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2O)CC1 ZINC001025489338 739652206 /nfs/dbraw/zinc/65/22/06/739652206.db2.gz MBVQTEJNQDNBST-HZPDHXFCSA-N 1 2 346.431 0.397 20 30 ECEDLO N#Cc1cnc(N2CCC3(C[C@@H]3NC(=O)Cc3c[nH]c[nH+]3)CC2)cn1 ZINC001058650548 739779069 /nfs/dbraw/zinc/77/90/69/739779069.db2.gz PDINPQVXRPRMON-AWEZNQCLSA-N 1 2 337.387 0.789 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C(N)=O)cs3)[C@H]2C1 ZINC001083285143 739828482 /nfs/dbraw/zinc/82/84/82/739828482.db2.gz HACHUNOQGUCXCW-QWHCGFSZSA-N 1 2 335.429 0.948 20 30 ECEDLO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C(N)=O)cs3)[C@H]2C1 ZINC001083285143 739828487 /nfs/dbraw/zinc/82/84/87/739828487.db2.gz HACHUNOQGUCXCW-QWHCGFSZSA-N 1 2 335.429 0.948 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C)nn1 ZINC000988064551 751490049 /nfs/dbraw/zinc/49/00/49/751490049.db2.gz OYSCNTSKVLILRU-NEPJUHHUSA-N 1 2 343.391 0.149 20 30 ECEDLO CC(C)C[C@@H](C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)n1cc[nH+]c1 ZINC001058658570 739906664 /nfs/dbraw/zinc/90/66/64/739906664.db2.gz GLJGTSNKGIXIDM-CABCVRRESA-N 1 2 349.435 0.567 20 30 ECEDLO C[C@@H](C#N)C(=O)N(CCO)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001058661561 739962475 /nfs/dbraw/zinc/96/24/75/739962475.db2.gz ZJSCVHOUYZIETH-LBPRGKRZSA-N 1 2 329.360 0.045 20 30 ECEDLO CN(C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)c1ccc(C#N)nn1 ZINC001058694697 740576226 /nfs/dbraw/zinc/57/62/26/740576226.db2.gz CVLACWPSBODXHK-CYBMUJFWSA-N 1 2 339.403 0.989 20 30 ECEDLO C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)CCc1[nH+]ccn1C ZINC001104893016 740833875 /nfs/dbraw/zinc/83/38/75/740833875.db2.gz XVTCDUQIEBWDRL-LBPRGKRZSA-N 1 2 327.392 0.973 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(NC(C)=O)c(F)c3)[C@H]2C1 ZINC001083293798 740934539 /nfs/dbraw/zinc/93/45/39/740934539.db2.gz YPPJJQWWTLVJIF-DLBZAZTESA-N 1 2 345.374 0.943 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(NC(C)=O)c(F)c3)[C@H]2C1 ZINC001083293798 740934541 /nfs/dbraw/zinc/93/45/41/740934541.db2.gz YPPJJQWWTLVJIF-DLBZAZTESA-N 1 2 345.374 0.943 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1c1ccc(C#N)nn1 ZINC001067542027 741101501 /nfs/dbraw/zinc/10/15/01/741101501.db2.gz HDHUODLMQTYEDX-STQMWFEESA-N 1 2 325.376 0.718 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(C)n3C)C2)nn1 ZINC001105153741 741424308 /nfs/dbraw/zinc/42/43/08/741424308.db2.gz YWHGFVXJVHMETH-UHFFFAOYSA-N 1 2 326.404 0.735 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)OCC3CC3)C2)nn1 ZINC001105183279 741448930 /nfs/dbraw/zinc/44/89/30/741448930.db2.gz KEHMHLGRVRNJHK-CYBMUJFWSA-N 1 2 331.420 0.589 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CC3(OC)CCC3)C2)nn1 ZINC001105225263 741506659 /nfs/dbraw/zinc/50/66/59/741506659.db2.gz OLMOQMHHMQUGTR-UHFFFAOYSA-N 1 2 331.420 0.734 20 30 ECEDLO C=CCC(CC=C)C(=O)N1CC(n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001105248862 741551472 /nfs/dbraw/zinc/55/14/72/741551472.db2.gz BKEJMHXAFBEDLF-GFCCVEGCSA-N 1 2 346.435 0.393 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(OC)cc3F)C2)nn1 ZINC001105278758 741634723 /nfs/dbraw/zinc/63/47/23/741634723.db2.gz VWCXSEZUHLEBAL-UHFFFAOYSA-N 1 2 343.362 0.846 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)C2)nn1 ZINC001105280851 741636837 /nfs/dbraw/zinc/63/68/37/741636837.db2.gz GURJAAZRRWPUMI-DLBZAZTESA-N 1 2 343.431 0.447 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc4[nH]ccc4n3)C2)nn1 ZINC001105281179 741637994 /nfs/dbraw/zinc/63/79/94/741637994.db2.gz ZNJNSKLDDXLKLQ-UHFFFAOYSA-N 1 2 335.371 0.574 20 30 ECEDLO C#CCCCCCC(=O)N1CC(n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001105301231 741685943 /nfs/dbraw/zinc/68/59/43/741685943.db2.gz LQEBIUQUQLYKNT-UHFFFAOYSA-N 1 2 346.435 0.081 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CC(n2cc(C[NH2+][C@@H]3CCNC3=O)nn2)C1 ZINC001105309732 741718103 /nfs/dbraw/zinc/71/81/03/741718103.db2.gz ALQXMWZINZFIEH-IUODEOHRSA-N 1 2 346.435 0.242 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC(n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001105309748 741718178 /nfs/dbraw/zinc/71/81/78/741718178.db2.gz AZXAELMBWQIDEB-NWDGAFQWSA-N 1 2 334.424 0.227 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC(n2cc(C[NH2+][C@H](CC)C(N)=O)nn2)C1 ZINC001105309780 741718392 /nfs/dbraw/zinc/71/83/92/741718392.db2.gz BZNBYHSCQBNHMJ-SWLSCSKDSA-N 1 2 348.451 0.617 20 30 ECEDLO CCC1(C(=O)N2CC(n3cc(C[NH2+]CC#CCOC)nn3)C2)CC1 ZINC001105320730 741775045 /nfs/dbraw/zinc/77/50/45/741775045.db2.gz HXPQBAGMEFMCBI-UHFFFAOYSA-N 1 2 331.420 0.591 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cc(C)n[nH]3)C2)nn1 ZINC001098622268 741798235 /nfs/dbraw/zinc/79/82/35/741798235.db2.gz FAGKUTLTWYJJKR-AWEZNQCLSA-N 1 2 327.392 0.510 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cc(C)[nH]n3)C2)nn1 ZINC001098622268 741798240 /nfs/dbraw/zinc/79/82/40/741798240.db2.gz FAGKUTLTWYJJKR-AWEZNQCLSA-N 1 2 327.392 0.510 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3nccc4[nH]ccc43)C2)nn1 ZINC001105329857 741831748 /nfs/dbraw/zinc/83/17/48/741831748.db2.gz AXIXXUHJZDBYNK-UHFFFAOYSA-N 1 2 335.371 0.574 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3csc4cncn43)C2)nn1 ZINC001105336702 742384708 /nfs/dbraw/zinc/38/47/08/742384708.db2.gz JWXLXQLPUHAYJN-UHFFFAOYSA-N 1 2 341.400 0.407 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C(C)(C)C1 ZINC000975033217 742463966 /nfs/dbraw/zinc/46/39/66/742463966.db2.gz YWTBEUJKSXEKOD-QJPTWQEYSA-N 1 2 329.828 0.598 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C(C)(C)C1 ZINC000975033217 742463967 /nfs/dbraw/zinc/46/39/67/742463967.db2.gz YWTBEUJKSXEKOD-QJPTWQEYSA-N 1 2 329.828 0.598 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001020521683 751755822 /nfs/dbraw/zinc/75/58/22/751755822.db2.gz MZSHLXJOFGUIGG-CRWXNKLISA-N 1 2 332.404 0.649 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)[nH]1 ZINC000975420025 742829526 /nfs/dbraw/zinc/82/95/26/742829526.db2.gz UZWXLZKWZFFGSI-IAQYHMDHSA-N 1 2 338.371 0.525 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)CC2CCCC2)C1 ZINC001149129295 743255982 /nfs/dbraw/zinc/25/59/82/743255982.db2.gz GUNPDFKSSCCUNM-MRXNPFEDSA-N 1 2 335.448 0.523 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)CC2CCCC2)C1 ZINC001149129295 743255991 /nfs/dbraw/zinc/25/59/91/743255991.db2.gz GUNPDFKSSCCUNM-MRXNPFEDSA-N 1 2 335.448 0.523 20 30 ECEDLO N#Cc1ccc(C(=O)NCC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)[nH]1 ZINC001059867627 751820440 /nfs/dbraw/zinc/82/04/40/751820440.db2.gz RWMOXMRBTKYBGC-CYBMUJFWSA-N 1 2 340.387 0.751 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3c(C)nn(C)c3C)C2)nn1 ZINC001098695207 743521773 /nfs/dbraw/zinc/52/17/73/743521773.db2.gz SJGRJFVQZMPOPC-HNNXBMFYSA-N 1 2 341.419 0.438 20 30 ECEDLO C#CCCCC(=O)NCC[NH2+]Cc1nnc([C@@]2(OC)CCOC2)o1 ZINC001126338748 751845945 /nfs/dbraw/zinc/84/59/45/751845945.db2.gz HTDQICLJVHAGLI-MRXNPFEDSA-N 1 2 336.392 0.341 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nc(C)no2)CC1 ZINC000997832318 743843062 /nfs/dbraw/zinc/84/30/62/743843062.db2.gz QWQGLBDTBAAEEC-INIZCTEOSA-N 1 2 345.447 0.804 20 30 ECEDLO C#CC[NH2+][C@@H]1CN(C(=O)CCc2nc[nH]n2)CC[C@H]1C(F)(F)F ZINC000998257705 744082137 /nfs/dbraw/zinc/08/21/37/744082137.db2.gz PWDNVVZRCMZHCT-GHMZBOCLSA-N 1 2 329.326 0.740 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000976585126 744108973 /nfs/dbraw/zinc/10/89/73/744108973.db2.gz CYCRBKQXYZYROK-CTTHAOKLSA-N 1 2 344.415 0.437 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000976726272 744249013 /nfs/dbraw/zinc/24/90/13/744249013.db2.gz HLIIQZNISOTDTL-OIPACUDHSA-N 1 2 338.411 0.432 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1 ZINC000998628118 744259029 /nfs/dbraw/zinc/25/90/29/744259029.db2.gz NTENMMSVACHLSJ-KBMXLJTQSA-N 1 2 326.400 0.624 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccsc3C)C2)nn1 ZINC001105339019 744263734 /nfs/dbraw/zinc/26/37/34/744263734.db2.gz HZJBKCVWGBZIRH-UHFFFAOYSA-N 1 2 329.429 0.997 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000976722239 744269733 /nfs/dbraw/zinc/26/97/33/744269733.db2.gz AQSBIWOFSVXWOB-YXRJLALLSA-N 1 2 327.388 0.178 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cc[nH+]c2)cn1 ZINC000976764899 744306870 /nfs/dbraw/zinc/30/68/70/744306870.db2.gz LNSQDFIQXIMBDH-QLPKVWCKSA-N 1 2 335.367 0.146 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2c[nH+]cn2C)c1 ZINC000976868174 744423348 /nfs/dbraw/zinc/42/33/48/744423348.db2.gz LGBXWFBMNMEYOE-VQFNDLOPSA-N 1 2 349.394 0.226 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2C[N@@H+]([C@@H](C)C(N)=O)CC2(C)C)nn1 ZINC000977287325 744843391 /nfs/dbraw/zinc/84/33/91/744843391.db2.gz SIZZYWWNLQZSJU-AAEUAGOBSA-N 1 2 334.424 0.168 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2C[N@H+]([C@@H](C)C(N)=O)CC2(C)C)nn1 ZINC000977287325 744843393 /nfs/dbraw/zinc/84/33/93/744843393.db2.gz SIZZYWWNLQZSJU-AAEUAGOBSA-N 1 2 334.424 0.168 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cn[nH]n3)nn2)C1 ZINC001000001184 745163679 /nfs/dbraw/zinc/16/36/79/745163679.db2.gz CAUNOVLIQXHQIU-NSHDSACASA-N 1 2 336.787 0.326 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3cn[nH]n3)nn2)C1 ZINC001000001184 745163682 /nfs/dbraw/zinc/16/36/82/745163682.db2.gz CAUNOVLIQXHQIU-NSHDSACASA-N 1 2 336.787 0.326 20 30 ECEDLO CN(C[C@H]1CCN1C(=O)Cc1c[nH+]cn1C)C(=O)c1ccc(C#N)[nH]1 ZINC000977609231 745264449 /nfs/dbraw/zinc/26/44/49/745264449.db2.gz XWPRQLIFDDOBOX-CYBMUJFWSA-N 1 2 340.387 0.535 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H](n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001098698541 745326303 /nfs/dbraw/zinc/32/63/03/745326303.db2.gz VXLBUKSSJOMZGN-YPMHNXCESA-N 1 2 334.424 0.227 20 30 ECEDLO C=CCn1cc(C(=O)N(C)C[C@@H]2CCN2C(=O)Cc2[nH]cc[nH+]2)nn1 ZINC000977734341 745430724 /nfs/dbraw/zinc/43/07/24/745430724.db2.gz UQBWLVLSXHTTLU-LBPRGKRZSA-N 1 2 343.391 0.103 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)c2cnn(CCF)c2)C1=O ZINC001038440302 745589143 /nfs/dbraw/zinc/58/91/43/745589143.db2.gz CIRWPFJVKLQMHT-HUUCEWRRSA-N 1 2 349.410 0.444 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)c2cnn(CCF)c2)C1=O ZINC001038440302 745589148 /nfs/dbraw/zinc/58/91/48/745589148.db2.gz CIRWPFJVKLQMHT-HUUCEWRRSA-N 1 2 349.410 0.444 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001029302582 745632936 /nfs/dbraw/zinc/63/29/36/745632936.db2.gz KCPLNQQZHVFRIE-OAGGEKHMSA-N 1 2 336.457 0.510 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCS(=O)(=O)C1 ZINC001029302582 745632940 /nfs/dbraw/zinc/63/29/40/745632940.db2.gz KCPLNQQZHVFRIE-OAGGEKHMSA-N 1 2 336.457 0.510 20 30 ECEDLO CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000977913274 745666145 /nfs/dbraw/zinc/66/61/45/745666145.db2.gz QYFKBBHEULAYQO-NVXWUHKLSA-N 1 2 340.427 0.918 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC1CC1 ZINC001029311735 745678716 /nfs/dbraw/zinc/67/87/16/745678716.db2.gz BKFXKNVDZYGJIQ-TWMKSMIVSA-N 1 2 347.459 0.921 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC1CC1 ZINC001029311735 745678720 /nfs/dbraw/zinc/67/87/20/745678720.db2.gz BKFXKNVDZYGJIQ-TWMKSMIVSA-N 1 2 347.459 0.921 20 30 ECEDLO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC000982353403 752035839 /nfs/dbraw/zinc/03/58/39/752035839.db2.gz SRHMOQGPBYGFTR-BHYGNILZSA-N 1 2 338.473 0.615 20 30 ECEDLO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC000982353403 752035843 /nfs/dbraw/zinc/03/58/43/752035843.db2.gz SRHMOQGPBYGFTR-BHYGNILZSA-N 1 2 338.473 0.615 20 30 ECEDLO CCn1ncnc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC000978031222 745832642 /nfs/dbraw/zinc/83/26/42/745832642.db2.gz WUQLEZBWEUKCRS-QKDCVEJESA-N 1 2 339.403 0.606 20 30 ECEDLO CCn1ncnc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC000978031222 745832653 /nfs/dbraw/zinc/83/26/53/745832653.db2.gz WUQLEZBWEUKCRS-QKDCVEJESA-N 1 2 339.403 0.606 20 30 ECEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(Cc3ccccc3C#N)C2)C1 ZINC001007000532 752038178 /nfs/dbraw/zinc/03/81/78/752038178.db2.gz JIHCFDBDKHYTKT-ZWKOTPCHSA-N 1 2 342.443 0.969 20 30 ECEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCN(Cc3ccccc3C#N)C2)C1 ZINC001007000532 752038182 /nfs/dbraw/zinc/03/81/82/752038182.db2.gz JIHCFDBDKHYTKT-ZWKOTPCHSA-N 1 2 342.443 0.969 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2nc(=O)n(C)[nH]2)C1 ZINC001027584504 745851519 /nfs/dbraw/zinc/85/15/19/745851519.db2.gz NOUSKMMVZBKMOQ-MJBXVCDLSA-N 1 2 349.435 0.122 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2C(=O)Cn2cc[nH+]c2)cn1 ZINC000978100244 745916942 /nfs/dbraw/zinc/91/69/42/745916942.db2.gz WOBSLIMNIWXORI-INIZCTEOSA-N 1 2 337.383 0.633 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](CCC)OCC)C2)nn1 ZINC001098703222 745959496 /nfs/dbraw/zinc/95/94/96/745959496.db2.gz LVYRIKIRQAGUKK-HOTGVXAUSA-N 1 2 333.436 0.980 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CCS(C)(=O)=O)[C@@H]2CC)c1 ZINC001087718844 746234117 /nfs/dbraw/zinc/23/41/17/746234117.db2.gz MEYJQCFRKCSXBJ-JKSUJKDBSA-N 1 2 349.456 0.690 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CCS(C)(=O)=O)[C@@H]2CC)c1 ZINC001087718844 746234120 /nfs/dbraw/zinc/23/41/20/746234120.db2.gz MEYJQCFRKCSXBJ-JKSUJKDBSA-N 1 2 349.456 0.690 20 30 ECEDLO C#CCC[N@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H]1CC ZINC001087765608 746307816 /nfs/dbraw/zinc/30/78/16/746307816.db2.gz FTMTWYFGNOOGOA-UONOGXRCSA-N 1 2 342.403 0.064 20 30 ECEDLO C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H]1CC ZINC001087765608 746307823 /nfs/dbraw/zinc/30/78/23/746307823.db2.gz FTMTWYFGNOOGOA-UONOGXRCSA-N 1 2 342.403 0.064 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000978423384 746323343 /nfs/dbraw/zinc/32/33/43/746323343.db2.gz YJEHUPFCYCSBHV-KFWWJZLASA-N 1 2 346.431 0.993 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(C(C)C)nc3C)C2)nn1 ZINC001105361265 752103845 /nfs/dbraw/zinc/10/38/45/752103845.db2.gz VNOLESCOYHTWEC-UHFFFAOYSA-N 1 2 341.419 0.784 20 30 ECEDLO CC(C)n1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2C1 ZINC001087910929 746645283 /nfs/dbraw/zinc/64/52/83/746645283.db2.gz DPTBDYBXOWMGRT-MJBXVCDLSA-N 1 2 331.424 0.694 20 30 ECEDLO CC(C)n1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2C1 ZINC001087910929 746645287 /nfs/dbraw/zinc/64/52/87/746645287.db2.gz DPTBDYBXOWMGRT-MJBXVCDLSA-N 1 2 331.424 0.694 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](Nc2ccnc(C#N)n2)C1 ZINC001059414321 746761708 /nfs/dbraw/zinc/76/17/08/746761708.db2.gz HILWEDHKDAMXBI-FDYHWXHSSA-N 1 2 337.387 0.366 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000978867019 746817555 /nfs/dbraw/zinc/81/75/55/746817555.db2.gz PLDPIRTUBCKWCQ-QXSJWSMHSA-N 1 2 346.431 0.875 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000984784037 746932674 /nfs/dbraw/zinc/93/26/74/746932674.db2.gz YKNKHIDNMORJLO-DZGCQCFKSA-N 1 2 340.387 0.961 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001029511660 747206571 /nfs/dbraw/zinc/20/65/71/747206571.db2.gz WCWJPAWJTJIHDK-IVSAIRAKSA-N 1 2 335.448 0.731 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001029511660 747206574 /nfs/dbraw/zinc/20/65/74/747206574.db2.gz WCWJPAWJTJIHDK-IVSAIRAKSA-N 1 2 335.448 0.731 20 30 ECEDLO Cc1noc(C[NH2+][C@H](C)[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)n1 ZINC000979262072 747487119 /nfs/dbraw/zinc/48/71/19/747487119.db2.gz CFQICSIEJDJOQK-QMTHXVAHSA-N 1 2 344.375 0.597 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](C)C(=O)N(C)C)cn1 ZINC001029558836 747506349 /nfs/dbraw/zinc/50/63/49/747506349.db2.gz XURGURKVBCULJU-RRQGHBQHSA-N 1 2 340.427 0.828 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)C(=O)N(C)C)cn1 ZINC001029558836 747506351 /nfs/dbraw/zinc/50/63/51/747506351.db2.gz XURGURKVBCULJU-RRQGHBQHSA-N 1 2 340.427 0.828 20 30 ECEDLO C=CCn1cccc1C(=O)NCC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001002616828 747576485 /nfs/dbraw/zinc/57/64/85/747576485.db2.gz XOTDJYSAVOVMHU-UHFFFAOYSA-N 1 2 327.388 0.828 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3(CF)CC3)C2)nn1 ZINC001098721246 747604238 /nfs/dbraw/zinc/60/42/38/747604238.db2.gz FGVKAKLIPPFCTG-OAHLLOKOSA-N 1 2 349.410 0.541 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001002657350 747625741 /nfs/dbraw/zinc/62/57/41/747625741.db2.gz ONDYTICXWXLAPD-XHSDSOJGSA-N 1 2 346.431 0.924 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)c(F)c1 ZINC001007258117 752229132 /nfs/dbraw/zinc/22/91/32/752229132.db2.gz HZBFHQWDTLWOOV-UKRRQHHQSA-N 1 2 346.362 0.886 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)c(F)c1 ZINC001007258117 752229133 /nfs/dbraw/zinc/22/91/33/752229133.db2.gz HZBFHQWDTLWOOV-UKRRQHHQSA-N 1 2 346.362 0.886 20 30 ECEDLO Cn1ncnc1C[N@H+](C)C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001029712035 748138305 /nfs/dbraw/zinc/13/83/05/748138305.db2.gz IHLJUVLVQHDJPR-GFCCVEGCSA-N 1 2 327.392 0.609 20 30 ECEDLO Cn1ncnc1C[N@@H+](C)C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001029712035 748138307 /nfs/dbraw/zinc/13/83/07/748138307.db2.gz IHLJUVLVQHDJPR-GFCCVEGCSA-N 1 2 327.392 0.609 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001059554214 748303538 /nfs/dbraw/zinc/30/35/38/748303538.db2.gz DAEQTFPTHDSBPD-KBXCAEBGSA-N 1 2 348.447 0.943 20 30 ECEDLO O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]12 ZINC000979820735 748506524 /nfs/dbraw/zinc/50/65/24/748506524.db2.gz ZCEBESWPXFWWMD-OWCLPIDISA-N 1 2 326.400 0.650 20 30 ECEDLO CC[C@@H](OC)C(=O)N1CC[C@H](n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001098630659 748562719 /nfs/dbraw/zinc/56/27/19/748562719.db2.gz VMQWAOLIKMUKFL-JKSUJKDBSA-N 1 2 349.435 0.216 20 30 ECEDLO CCn1nccc1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083425240 748601295 /nfs/dbraw/zinc/60/12/95/748601295.db2.gz CIQTVUHUOAICFQ-AEFFLSMTSA-N 1 2 338.411 0.730 20 30 ECEDLO CCn1nccc1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083425240 748601299 /nfs/dbraw/zinc/60/12/99/748601299.db2.gz CIQTVUHUOAICFQ-AEFFLSMTSA-N 1 2 338.411 0.730 20 30 ECEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001003533161 748651921 /nfs/dbraw/zinc/65/19/21/748651921.db2.gz OBSCQWIHAWBEJD-HNNXBMFYSA-N 1 2 345.378 0.459 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001028295926 752294967 /nfs/dbraw/zinc/29/49/67/752294967.db2.gz WGNQEPWTPHQTNE-KGLIPLIRSA-N 1 2 329.828 0.567 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001028295926 752294972 /nfs/dbraw/zinc/29/49/72/752294972.db2.gz WGNQEPWTPHQTNE-KGLIPLIRSA-N 1 2 329.828 0.567 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001028295925 752295297 /nfs/dbraw/zinc/29/52/97/752295297.db2.gz WGNQEPWTPHQTNE-KBPBESRZSA-N 1 2 329.828 0.567 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001028295925 752295300 /nfs/dbraw/zinc/29/53/00/752295300.db2.gz WGNQEPWTPHQTNE-KBPBESRZSA-N 1 2 329.828 0.567 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001028295928 752295576 /nfs/dbraw/zinc/29/55/76/752295576.db2.gz WGNQEPWTPHQTNE-ZIAGYGMSSA-N 1 2 329.828 0.567 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001028295928 752295580 /nfs/dbraw/zinc/29/55/80/752295580.db2.gz WGNQEPWTPHQTNE-ZIAGYGMSSA-N 1 2 329.828 0.567 20 30 ECEDLO C#Cc1cncc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2)C3)c1 ZINC001003744612 748853407 /nfs/dbraw/zinc/85/34/07/748853407.db2.gz YSOIXIQTWNBGLZ-ZACQAIPSSA-N 1 2 349.394 0.821 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H](C[N@@H+](C)Cc3ncnn3C)C2)nn1 ZINC001029860046 748961086 /nfs/dbraw/zinc/96/10/86/748961086.db2.gz LLBBLCGBHZGYSD-CYBMUJFWSA-N 1 2 344.423 0.187 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H](C[N@H+](C)Cc3ncnn3C)C2)nn1 ZINC001029860046 748961089 /nfs/dbraw/zinc/96/10/89/748961089.db2.gz LLBBLCGBHZGYSD-CYBMUJFWSA-N 1 2 344.423 0.187 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001059647784 749108558 /nfs/dbraw/zinc/10/85/58/749108558.db2.gz GRCOMKNZSIQEJO-CVEARBPZSA-N 1 2 346.431 0.666 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001059647898 749108573 /nfs/dbraw/zinc/10/85/73/749108573.db2.gz JCAUWGICDFKJFP-HNNXBMFYSA-N 1 2 332.404 0.278 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001013926798 761921015 /nfs/dbraw/zinc/92/10/15/761921015.db2.gz KGOHFQKPMDCQIN-GXFFZTMASA-N 1 2 326.360 0.571 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3CC34CC4)CC2)CC1 ZINC000985826770 749186591 /nfs/dbraw/zinc/18/65/91/749186591.db2.gz FUIXESGZNMBYNW-OAHLLOKOSA-N 1 2 332.448 0.854 20 30 ECEDLO CCc1nc(C#N)cc(N[C@H]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)n1 ZINC001059681093 749419998 /nfs/dbraw/zinc/41/99/98/749419998.db2.gz PGESUZSJUWGHCV-TXEJJXNPSA-N 1 2 339.403 0.946 20 30 ECEDLO C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001004725102 749782779 /nfs/dbraw/zinc/78/27/79/749782779.db2.gz JVOMKFLXUPAAFT-SWLSCSKDSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001004747585 749813309 /nfs/dbraw/zinc/81/33/09/749813309.db2.gz VMVBYPIOZIMJAW-RISCZKNCSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCCCN1C(=O)c1c[nH]c(C#N)c1 ZINC001004808214 749892713 /nfs/dbraw/zinc/89/27/13/749892713.db2.gz JQDFQMMHPHPQGU-BXUZGUMPSA-N 1 2 342.407 0.583 20 30 ECEDLO CC#CC[NH+]1CCC2(CC1)CN(C(=O)C1=NC(=O)N(C)C1)C[C@H](C)O2 ZINC001098633496 749974469 /nfs/dbraw/zinc/97/44/69/749974469.db2.gz IKCLWMYHFBZOLD-AWEZNQCLSA-N 1 2 346.431 0.845 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[N@H+](C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000980848715 750258604 /nfs/dbraw/zinc/25/86/04/750258604.db2.gz AMCOGKJAINEWSA-ZIAGYGMSSA-N 1 2 327.450 0.505 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[N@@H+](C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000980848715 750258608 /nfs/dbraw/zinc/25/86/08/750258608.db2.gz AMCOGKJAINEWSA-ZIAGYGMSSA-N 1 2 327.450 0.505 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ncccc3O)[C@H]2C)C1=O ZINC001088538665 750434784 /nfs/dbraw/zinc/43/47/84/750434784.db2.gz LOBXPDXHOQXJSU-RDBSUJKOSA-N 1 2 344.415 0.767 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ncccc3O)[C@H]2C)C1=O ZINC001088538665 750434787 /nfs/dbraw/zinc/43/47/87/750434787.db2.gz LOBXPDXHOQXJSU-RDBSUJKOSA-N 1 2 344.415 0.767 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CCS(C)(=O)=O)cc1 ZINC001028066797 750465600 /nfs/dbraw/zinc/46/56/00/750465600.db2.gz JKRKJXUVDRTVQH-INIZCTEOSA-N 1 2 334.441 0.907 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CCS(C)(=O)=O)cc1 ZINC001028066797 750465605 /nfs/dbraw/zinc/46/56/05/750465605.db2.gz JKRKJXUVDRTVQH-INIZCTEOSA-N 1 2 334.441 0.907 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccc(OC)n3)C2)nn1 ZINC001105354901 750497755 /nfs/dbraw/zinc/49/77/55/750497755.db2.gz YSUVYCWZHNVGNX-UHFFFAOYSA-N 1 2 340.387 0.492 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3cnsn3)[C@@H]2C)nn1 ZINC000987137811 750534447 /nfs/dbraw/zinc/53/44/47/750534447.db2.gz ZPTDUOFVOQENSK-CMPLNLGQSA-N 1 2 333.421 0.708 20 30 ECEDLO Cn1nnc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2F)n1 ZINC001028078485 750556156 /nfs/dbraw/zinc/55/61/56/750556156.db2.gz KRIIOJIIWZMPPD-CYBMUJFWSA-N 1 2 343.366 0.615 20 30 ECEDLO Cn1nnc(C(=O)NC[C@H]2CCC[N@H+]2Cc2cc(C#N)ccc2F)n1 ZINC001028078485 750556160 /nfs/dbraw/zinc/55/61/60/750556160.db2.gz KRIIOJIIWZMPPD-CYBMUJFWSA-N 1 2 343.366 0.615 20 30 ECEDLO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001005945269 750830037 /nfs/dbraw/zinc/83/00/37/750830037.db2.gz MMMVAEQOYUXBCW-JTQLQIEISA-N 1 2 326.360 0.429 20 30 ECEDLO C#CCCCCC(=O)NC[C@@H](O)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001105831045 762087069 /nfs/dbraw/zinc/08/70/69/762087069.db2.gz VGMDDZYAXIODAW-CQSZACIVSA-N 1 2 345.447 0.547 20 30 ECEDLO C#CCCCCC(=O)NC[C@@H](O)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001105831045 762087073 /nfs/dbraw/zinc/08/70/73/762087073.db2.gz VGMDDZYAXIODAW-CQSZACIVSA-N 1 2 345.447 0.547 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](Nc2cncc(C#N)n2)C1 ZINC001059830111 751186651 /nfs/dbraw/zinc/18/66/51/751186651.db2.gz QCDQUUJTGJTEPQ-ZMJPVWNMSA-N 1 2 337.387 0.945 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1CC[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001059830482 751187516 /nfs/dbraw/zinc/18/75/16/751187516.db2.gz DLOGNGKESQYBQQ-CABCVRRESA-N 1 2 348.447 0.909 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](NC(=O)CC2OCCCO2)[C@@H](O)C1 ZINC001083428685 751195533 /nfs/dbraw/zinc/19/55/33/751195533.db2.gz QNCPXGBZYPIUEX-CVEARBPZSA-N 1 2 345.399 0.373 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)CC2OCCCO2)[C@@H](O)C1 ZINC001083428685 751195535 /nfs/dbraw/zinc/19/55/35/751195535.db2.gz QNCPXGBZYPIUEX-CVEARBPZSA-N 1 2 345.399 0.373 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC001007448324 752392236 /nfs/dbraw/zinc/39/22/36/752392236.db2.gz OIPDGTDJGWTEOA-RYUDHWBXSA-N 1 2 327.812 0.857 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC001007448324 752392241 /nfs/dbraw/zinc/39/22/41/752392241.db2.gz OIPDGTDJGWTEOA-RYUDHWBXSA-N 1 2 327.812 0.857 20 30 ECEDLO CO[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212039318 752431998 /nfs/dbraw/zinc/43/19/98/752431998.db2.gz JUXRNQPMMBHCNN-RBSFLKMASA-N 1 2 336.436 0.220 20 30 ECEDLO CO[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212039318 752432004 /nfs/dbraw/zinc/43/20/04/752432004.db2.gz JUXRNQPMMBHCNN-RBSFLKMASA-N 1 2 336.436 0.220 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CCc2ccnc(C)n2)[C@H](OC)C1 ZINC001213215505 752441935 /nfs/dbraw/zinc/44/19/35/752441935.db2.gz KFJQKOKOOFXHJD-IAGOWNOFSA-N 1 2 346.431 0.183 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CCc2ccnc(C)n2)[C@H](OC)C1 ZINC001213215505 752441938 /nfs/dbraw/zinc/44/19/38/752441938.db2.gz KFJQKOKOOFXHJD-IAGOWNOFSA-N 1 2 346.431 0.183 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H](C)[C@@H]3CCCO3)C2)nn1 ZINC001105368051 752467357 /nfs/dbraw/zinc/46/73/57/752467357.db2.gz NWCFQVSWFPFXSC-YOEHRIQHSA-N 1 2 345.447 0.980 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C2CCC2)[C@H](OC)C1 ZINC001211754763 752521160 /nfs/dbraw/zinc/52/11/60/752521160.db2.gz JCJUMKJSMYBYMK-HZPDHXFCSA-N 1 2 335.448 0.803 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)C2CCC2)[C@H](OC)C1 ZINC001211754763 752521167 /nfs/dbraw/zinc/52/11/67/752521167.db2.gz JCJUMKJSMYBYMK-HZPDHXFCSA-N 1 2 335.448 0.803 20 30 ECEDLO CCn1nncc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083447388 752592198 /nfs/dbraw/zinc/59/21/98/752592198.db2.gz PRGXCBRETCWWCC-ZBFHGGJFSA-N 1 2 340.387 0.145 20 30 ECEDLO CCn1nncc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083447388 752592201 /nfs/dbraw/zinc/59/22/01/752592201.db2.gz PRGXCBRETCWWCC-ZBFHGGJFSA-N 1 2 340.387 0.145 20 30 ECEDLO C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001075919772 752653552 /nfs/dbraw/zinc/65/35/52/752653552.db2.gz BJKNDXMBFDHYPC-KBPBESRZSA-N 1 2 334.420 0.659 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028467579 752761603 /nfs/dbraw/zinc/76/16/03/752761603.db2.gz FOAQDSNVBOLGKP-QWRGUYRKSA-N 1 2 328.380 0.223 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@H+]1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001028467579 752761607 /nfs/dbraw/zinc/76/16/07/752761607.db2.gz FOAQDSNVBOLGKP-QWRGUYRKSA-N 1 2 328.380 0.223 20 30 ECEDLO CCOCC(=O)N[C@@H]1C[N@H+](Cc2cc(C#N)ccc2OC)C[C@H]1OC ZINC001211801956 752790744 /nfs/dbraw/zinc/79/07/44/752790744.db2.gz DTOFQNSSTJQWMJ-NVXWUHKLSA-N 1 2 347.415 0.919 20 30 ECEDLO CCOCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2OC)C[C@H]1OC ZINC001211801956 752790746 /nfs/dbraw/zinc/79/07/46/752790746.db2.gz DTOFQNSSTJQWMJ-NVXWUHKLSA-N 1 2 347.415 0.919 20 30 ECEDLO N#Cc1cnccc1N[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001058995520 752796347 /nfs/dbraw/zinc/79/63/47/752796347.db2.gz KBAYURIFRDHEOG-ZFWWWQNUSA-N 1 2 336.399 0.847 20 30 ECEDLO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@@]2(C)C1 ZINC000982609862 753019476 /nfs/dbraw/zinc/01/94/76/753019476.db2.gz IJWYENBAGKNCLJ-IYBDPMFKSA-N 1 2 326.462 0.613 20 30 ECEDLO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@@]2(C)C1 ZINC000982609862 753019477 /nfs/dbraw/zinc/01/94/77/753019477.db2.gz IJWYENBAGKNCLJ-IYBDPMFKSA-N 1 2 326.462 0.613 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3[nH]nnc3C)C2)C1=O ZINC001008144203 753373762 /nfs/dbraw/zinc/37/37/62/753373762.db2.gz WBABLBAPYREUAS-STQMWFEESA-N 1 2 332.408 0.094 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3[nH]nnc3C)C2)C1=O ZINC001008144203 753373768 /nfs/dbraw/zinc/37/37/68/753373768.db2.gz WBABLBAPYREUAS-STQMWFEESA-N 1 2 332.408 0.094 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCOCC3CC3)C2)nn1 ZINC001098676121 762208977 /nfs/dbraw/zinc/20/89/77/762208977.db2.gz LKJRUUFBHKUUTE-QGZVFWFLSA-N 1 2 345.447 0.981 20 30 ECEDLO C=C(C)CCC(=O)N1CC[C@H](n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001098680716 753582198 /nfs/dbraw/zinc/58/21/98/753582198.db2.gz IHTJHPFCWIIAGP-OCCSQVGLSA-N 1 2 334.424 0.371 20 30 ECEDLO N#CCNCc1cn([C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)nn1 ZINC001098681685 753642249 /nfs/dbraw/zinc/64/22/49/753642249.db2.gz WJPPBXKNIZHXQR-CQSZACIVSA-N 1 2 328.380 0.021 20 30 ECEDLO N#CCNCc1cn([C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)nn1 ZINC001098681685 753642252 /nfs/dbraw/zinc/64/22/52/753642252.db2.gz WJPPBXKNIZHXQR-CQSZACIVSA-N 1 2 328.380 0.021 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC(C)C)[C@H](OC)C1 ZINC001211835984 753716158 /nfs/dbraw/zinc/71/61/58/753716158.db2.gz RDBAUXCBSSFTFU-RRFJBIMHSA-N 1 2 325.453 0.929 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC(C)C)[C@H](OC)C1 ZINC001211835984 753716163 /nfs/dbraw/zinc/71/61/63/753716163.db2.gz RDBAUXCBSSFTFU-RRFJBIMHSA-N 1 2 325.453 0.929 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cncnc3C(C)C)C2)nn1 ZINC001105374308 753750936 /nfs/dbraw/zinc/75/09/36/753750936.db2.gz UMDLISZCHHVAPY-UHFFFAOYSA-N 1 2 339.403 0.611 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccn3CC)C2)nn1 ZINC001105374317 753751870 /nfs/dbraw/zinc/75/18/70/753751870.db2.gz UVPODNAYFTVFKR-UHFFFAOYSA-N 1 2 326.404 0.910 20 30 ECEDLO CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001105595651 753943434 /nfs/dbraw/zinc/94/34/34/753943434.db2.gz CKEFTRVWWPBUDK-CHWSQXEVSA-N 1 2 325.376 0.770 20 30 ECEDLO CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001105595651 753943440 /nfs/dbraw/zinc/94/34/40/753943440.db2.gz CKEFTRVWWPBUDK-CHWSQXEVSA-N 1 2 325.376 0.770 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001008621564 753966234 /nfs/dbraw/zinc/96/62/34/753966234.db2.gz UCJRHYOCUUEBKS-ILXRZTDVSA-N 1 2 346.431 0.827 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000989497650 754036366 /nfs/dbraw/zinc/03/63/66/754036366.db2.gz UESUCPNUEKYYDC-PWSUYJOCSA-N 1 2 326.360 0.571 20 30 ECEDLO CCc1noc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)n1 ZINC001051524717 762276078 /nfs/dbraw/zinc/27/60/78/762276078.db2.gz WNTJPPXRESDGMS-GFCCVEGCSA-N 1 2 344.375 0.463 20 30 ECEDLO C=C(Br)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2ncn[nH]2)C1 ZINC000989658026 754263760 /nfs/dbraw/zinc/26/37/60/754263760.db2.gz RKDRTGULLGWJHH-VHSXEESVSA-N 1 2 328.214 0.835 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000983185697 754815984 /nfs/dbraw/zinc/81/59/84/754815984.db2.gz QGJUWHNJDBLJFL-KEYYUXOJSA-N 1 2 346.431 0.898 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC000983187487 754818059 /nfs/dbraw/zinc/81/80/59/754818059.db2.gz ZKYBLICWNXJIHN-AWEZNQCLSA-N 1 2 337.383 0.607 20 30 ECEDLO N#Cc1nccc(NC[C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)n1 ZINC001060026030 755040592 /nfs/dbraw/zinc/04/05/92/755040592.db2.gz XFSNWOGNIFEWEC-ZDUSSCGKSA-N 1 2 339.403 0.777 20 30 ECEDLO C=CCOc1ccc(CC(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)cc1 ZINC001009651586 755134509 /nfs/dbraw/zinc/13/45/09/755134509.db2.gz SBGRURFMQSWVQS-OAHLLOKOSA-N 1 2 331.416 0.860 20 30 ECEDLO C=CCOc1ccc(CC(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)cc1 ZINC001009651586 755134511 /nfs/dbraw/zinc/13/45/11/755134511.db2.gz SBGRURFMQSWVQS-OAHLLOKOSA-N 1 2 331.416 0.860 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)C[C@@H]3CCCO3)C2)nn1 ZINC001105379190 755266372 /nfs/dbraw/zinc/26/63/72/755266372.db2.gz RRMIVSQXWAGABH-YOEHRIQHSA-N 1 2 345.447 0.980 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001060041646 755346924 /nfs/dbraw/zinc/34/69/24/755346924.db2.gz CFMCYZDVOLKFOY-GJZGRUSLSA-N 1 2 346.431 0.654 20 30 ECEDLO C#CCOCCC(=O)NCC[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001060042086 755355093 /nfs/dbraw/zinc/35/50/93/755355093.db2.gz LXMXUQBHCXTKSK-OAHLLOKOSA-N 1 2 346.431 0.655 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC000983371179 755444958 /nfs/dbraw/zinc/44/49/58/755444958.db2.gz WOMGAOUWSNXGDU-AWEZNQCLSA-N 1 2 337.383 0.607 20 30 ECEDLO C#CC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001040282527 755608685 /nfs/dbraw/zinc/60/86/85/755608685.db2.gz IUSXHOQICFQEIM-WBVHZDCISA-N 1 2 338.473 0.759 20 30 ECEDLO C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001040282527 755608689 /nfs/dbraw/zinc/60/86/89/755608689.db2.gz IUSXHOQICFQEIM-WBVHZDCISA-N 1 2 338.473 0.759 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3ccc(C)o3)C2)nn1 ZINC001098658723 755766331 /nfs/dbraw/zinc/76/63/31/755766331.db2.gz ITXMEUUZTICRPW-HNNXBMFYSA-N 1 2 327.388 0.918 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cccnc2)[C@H](OC)C1 ZINC001212122453 755798683 /nfs/dbraw/zinc/79/86/83/755798683.db2.gz JLPNBYONAJUYAD-NUEKZKHPSA-N 1 2 346.431 0.130 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cccnc2)[C@H](OC)C1 ZINC001212122453 755798687 /nfs/dbraw/zinc/79/86/87/755798687.db2.gz JLPNBYONAJUYAD-NUEKZKHPSA-N 1 2 346.431 0.130 20 30 ECEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3COCCO3)C2)ccc1F ZINC001010249991 755881877 /nfs/dbraw/zinc/88/18/77/755881877.db2.gz DPLAWOBIVCUKHJ-ZBFHGGJFSA-N 1 2 333.363 0.803 20 30 ECEDLO N#Cc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3COCCO3)C2)ccc1F ZINC001010249991 755881882 /nfs/dbraw/zinc/88/18/82/755881882.db2.gz DPLAWOBIVCUKHJ-ZBFHGGJFSA-N 1 2 333.363 0.803 20 30 ECEDLO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCCS2(=O)=O)[C@@H](O)C1 ZINC001083522225 755882783 /nfs/dbraw/zinc/88/27/83/755882783.db2.gz YKBJXHKBGMTLRT-RDBSUJKOSA-N 1 2 330.450 0.081 20 30 ECEDLO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCCS2(=O)=O)[C@@H](O)C1 ZINC001083522225 755882788 /nfs/dbraw/zinc/88/27/88/755882788.db2.gz YKBJXHKBGMTLRT-RDBSUJKOSA-N 1 2 330.450 0.081 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3COCCO3)C2)cc1F ZINC001010251034 755884281 /nfs/dbraw/zinc/88/42/81/755884281.db2.gz GRILYWDENXRYFJ-GDBMZVCRSA-N 1 2 333.363 0.803 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3COCCO3)C2)cc1F ZINC001010251034 755884285 /nfs/dbraw/zinc/88/42/85/755884285.db2.gz GRILYWDENXRYFJ-GDBMZVCRSA-N 1 2 333.363 0.803 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@@H]1O ZINC001083526465 755923358 /nfs/dbraw/zinc/92/33/58/755923358.db2.gz TWQQWFFAQSJJIG-ZBFHGGJFSA-N 1 2 330.388 0.946 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@@H]1O ZINC001083526465 755923364 /nfs/dbraw/zinc/92/33/64/755923364.db2.gz TWQQWFFAQSJJIG-ZBFHGGJFSA-N 1 2 330.388 0.946 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnn(CC(F)(F)F)c2)[C@@H](O)C1 ZINC001083527327 755932629 /nfs/dbraw/zinc/93/26/29/755932629.db2.gz NKXSUMZCEBJZSM-NEPJUHHUSA-N 1 2 330.310 0.244 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC(F)(F)F)c2)[C@@H](O)C1 ZINC001083527327 755932630 /nfs/dbraw/zinc/93/26/30/755932630.db2.gz NKXSUMZCEBJZSM-NEPJUHHUSA-N 1 2 330.310 0.244 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CCCC3)C2)c1 ZINC001010457113 756151123 /nfs/dbraw/zinc/15/11/23/756151123.db2.gz JQRYUOGHUUQXFS-CQSZACIVSA-N 1 2 329.404 0.749 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CCCC3)C2)c1 ZINC001010457113 756151124 /nfs/dbraw/zinc/15/11/24/756151124.db2.gz JQRYUOGHUUQXFS-CQSZACIVSA-N 1 2 329.404 0.749 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N(C)C1CC(Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001126920511 756212045 /nfs/dbraw/zinc/21/20/45/756212045.db2.gz SIYLVRAQLTXJPJ-QWQCLYJRSA-N 1 2 348.451 0.974 20 30 ECEDLO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001010634806 756331524 /nfs/dbraw/zinc/33/15/24/756331524.db2.gz DOJQGGIHCVDXJD-LBPRGKRZSA-N 1 2 326.360 0.689 20 30 ECEDLO COc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001010634806 756331526 /nfs/dbraw/zinc/33/15/26/756331526.db2.gz DOJQGGIHCVDXJD-LBPRGKRZSA-N 1 2 326.360 0.689 20 30 ECEDLO C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001076431443 756500916 /nfs/dbraw/zinc/50/09/16/756500916.db2.gz GBPQOVRDLPNIQQ-ZFWWWQNUSA-N 1 2 328.416 0.870 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCC2(CN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001010776680 756507993 /nfs/dbraw/zinc/50/79/93/756507993.db2.gz YZSRUCNQPFIPPF-CQSZACIVSA-N 1 2 343.431 0.963 20 30 ECEDLO Cn1nncc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010824431 756571911 /nfs/dbraw/zinc/57/19/11/756571911.db2.gz SYPMARKIIXQPNX-OAHLLOKOSA-N 1 2 327.363 0.810 20 30 ECEDLO Cn1nncc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010824431 756571916 /nfs/dbraw/zinc/57/19/16/756571916.db2.gz SYPMARKIIXQPNX-OAHLLOKOSA-N 1 2 327.363 0.810 20 30 ECEDLO Cn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)nn1 ZINC001010855476 756604691 /nfs/dbraw/zinc/60/46/91/756604691.db2.gz XCUMWKUFHZWCMF-CYBMUJFWSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)nn1 ZINC001010855476 756604695 /nfs/dbraw/zinc/60/46/95/756604695.db2.gz XCUMWKUFHZWCMF-CYBMUJFWSA-N 1 2 328.351 0.830 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)c1 ZINC001010925973 756675757 /nfs/dbraw/zinc/67/57/57/756675757.db2.gz ZLEMHDMNTFNAST-UHFFFAOYSA-N 1 2 326.360 0.527 20 30 ECEDLO COC1CC(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001083550898 756722834 /nfs/dbraw/zinc/72/28/34/756722834.db2.gz HSFLQPJMXDGAGL-SYNTWQANSA-N 1 2 346.402 0.764 20 30 ECEDLO COC1CC(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]2O)C1 ZINC001083550898 756722839 /nfs/dbraw/zinc/72/28/39/756722839.db2.gz HSFLQPJMXDGAGL-SYNTWQANSA-N 1 2 346.402 0.764 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3nccc(C)n3)C2)nn1 ZINC001098664927 756752619 /nfs/dbraw/zinc/75/26/19/756752619.db2.gz RQEFHYVYZGTVGW-OAHLLOKOSA-N 1 2 339.403 0.577 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001011019583 756772999 /nfs/dbraw/zinc/77/29/99/756772999.db2.gz CDVHCYHMOLTSIJ-GFCCVEGCSA-N 1 2 340.387 0.773 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001011019583 756773003 /nfs/dbraw/zinc/77/30/03/756773003.db2.gz CDVHCYHMOLTSIJ-GFCCVEGCSA-N 1 2 340.387 0.773 20 30 ECEDLO Cc1cnc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)cn1 ZINC001076704884 756892721 /nfs/dbraw/zinc/89/27/21/756892721.db2.gz IOXCAUGUJSRHEE-IAGOWNOFSA-N 1 2 337.383 0.632 20 30 ECEDLO Cc1cnc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)cn1 ZINC001076704884 756892722 /nfs/dbraw/zinc/89/27/22/756892722.db2.gz IOXCAUGUJSRHEE-IAGOWNOFSA-N 1 2 337.383 0.632 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)OCCC=C)nn2)C1 ZINC001107140650 756961746 /nfs/dbraw/zinc/96/17/46/756961746.db2.gz OWHDPLDJGDQVPL-AWEZNQCLSA-N 1 2 331.420 0.756 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC/C=C/CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001107148622 757081920 /nfs/dbraw/zinc/08/19/20/757081920.db2.gz NOXAQFBPCLOSLN-KXPUMZMLSA-N 1 2 334.424 0.657 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3ccn(C)c3)nn2)C1 ZINC001107153848 757118877 /nfs/dbraw/zinc/11/88/77/757118877.db2.gz PHFGDSXVRFKTNK-UHFFFAOYSA-N 1 2 344.419 0.606 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001011193267 757166609 /nfs/dbraw/zinc/16/66/09/757166609.db2.gz NNTCOTGGJZDIGP-RDJZCZTQSA-N 1 2 346.431 0.994 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001011200887 757178543 /nfs/dbraw/zinc/17/85/43/757178543.db2.gz HTLKBHNXPJSHHW-BBRMVZONSA-N 1 2 332.404 0.604 20 30 ECEDLO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001048865829 757225862 /nfs/dbraw/zinc/22/58/62/757225862.db2.gz CMMUPSCSTCQFLN-PMPSAXMXSA-N 1 2 346.431 0.668 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)COCC3CCCC3)nn2)C1 ZINC001107179084 757354372 /nfs/dbraw/zinc/35/43/72/757354372.db2.gz AEIDIQMWZINCSP-UHFFFAOYSA-N 1 2 345.447 0.981 20 30 ECEDLO C=CCCC[NH+]1CC(n2cc(CNC(=O)Cn3cncc3C)nn2)C1 ZINC001107185172 757358395 /nfs/dbraw/zinc/35/83/95/757358395.db2.gz LEFFBUSWRFMLRF-UHFFFAOYSA-N 1 2 343.435 0.922 20 30 ECEDLO C=CC(C)(C)CC(=O)N(C)[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC001048907732 757359976 /nfs/dbraw/zinc/35/99/76/757359976.db2.gz MQLONOJUIDKFBB-KBPBESRZSA-N 1 2 334.420 0.516 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCc3cncnc3)nn2)C1 ZINC001107185669 757361292 /nfs/dbraw/zinc/36/12/92/757361292.db2.gz YPQPHDOCJCCSNZ-UHFFFAOYSA-N 1 2 339.403 0.197 20 30 ECEDLO Cc1ncoc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076847020 757370608 /nfs/dbraw/zinc/37/06/08/757370608.db2.gz FWACPJXSTBVRBL-HUUCEWRRSA-N 1 2 326.356 0.830 20 30 ECEDLO Cc1ncoc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076847020 757370619 /nfs/dbraw/zinc/37/06/19/757370619.db2.gz FWACPJXSTBVRBL-HUUCEWRRSA-N 1 2 326.356 0.830 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)c1cnc[nH]c1=O ZINC001083555202 757394213 /nfs/dbraw/zinc/39/42/13/757394213.db2.gz RJDHCYWPDNLIMO-CVEARBPZSA-N 1 2 338.367 0.009 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)c1cnc[nH]c1=O ZINC001083555202 757394224 /nfs/dbraw/zinc/39/42/24/757394224.db2.gz RJDHCYWPDNLIMO-CVEARBPZSA-N 1 2 338.367 0.009 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)Cc3ccc(=O)[nH]c3)nn2)C1 ZINC001107187880 757419912 /nfs/dbraw/zinc/41/99/12/757419912.db2.gz MCABMYQZFDRTSX-UHFFFAOYSA-N 1 2 340.387 0.118 20 30 ECEDLO N#Cc1cc(C(=O)N2CC[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)c[nH]1 ZINC001021425837 757427347 /nfs/dbraw/zinc/42/73/47/757427347.db2.gz DTORNMKVZNNYOE-SWLSCSKDSA-N 1 2 338.371 0.456 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@]3(C)CCC(=O)NC3)nn2)C1 ZINC001107197124 757556799 /nfs/dbraw/zinc/55/67/99/757556799.db2.gz BSPZZBLEGKNWQY-KRWDZBQOSA-N 1 2 346.435 0.243 20 30 ECEDLO CCc1nocc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001076907708 757564612 /nfs/dbraw/zinc/56/46/12/757564612.db2.gz ZLXDCZPUQUWRIS-HUUCEWRRSA-N 1 2 329.360 0.412 20 30 ECEDLO CCc1nocc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001076907708 757564621 /nfs/dbraw/zinc/56/46/21/757564621.db2.gz ZLXDCZPUQUWRIS-HUUCEWRRSA-N 1 2 329.360 0.412 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ncc[nH]3)C2)cc1C#N ZINC001076972734 757807353 /nfs/dbraw/zinc/80/73/53/757807353.db2.gz ODHQUKOASWKKNU-ZIAGYGMSSA-N 1 2 341.371 0.265 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ncc[nH]3)C2)cc1C#N ZINC001076972734 757807363 /nfs/dbraw/zinc/80/73/63/757807363.db2.gz ODHQUKOASWKKNU-ZIAGYGMSSA-N 1 2 341.371 0.265 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C3(CCOC)CCC3)nn2)C1 ZINC001107233137 757974497 /nfs/dbraw/zinc/97/44/97/757974497.db2.gz GAMJWLSBVJXFNO-UHFFFAOYSA-N 1 2 345.447 0.981 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](OC)C3CCCC3)nn2)C1 ZINC001107233571 757976504 /nfs/dbraw/zinc/97/65/04/757976504.db2.gz MSTHVVPFGAZHGN-KRWDZBQOSA-N 1 2 345.447 0.980 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001049111773 757989541 /nfs/dbraw/zinc/98/95/41/757989541.db2.gz SCYSISNZPGKHJA-BPUTZDHNSA-N 1 2 348.447 0.595 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@](C)(NC(C)=O)C3CC3)nn2)C1 ZINC001107229141 757989880 /nfs/dbraw/zinc/98/98/80/757989880.db2.gz DDSVPFOTPBAFOX-QGZVFWFLSA-N 1 2 346.435 0.242 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C(=O)N3CC[C@H](C)C3)nn2)C1 ZINC001107229850 757993177 /nfs/dbraw/zinc/99/31/77/757993177.db2.gz UDFAZQCTJDSAIK-ZDUSSCGKSA-N 1 2 346.435 0.196 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)OCC=C)nn2)C1 ZINC001107240866 758041648 /nfs/dbraw/zinc/04/16/48/758041648.db2.gz HNZJABQEFIFSOB-CQSZACIVSA-N 1 2 349.435 0.545 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC001077051738 758042347 /nfs/dbraw/zinc/04/23/47/758042347.db2.gz GVQHEZNLCIORLG-MWLCHTKSSA-N 1 2 330.310 0.237 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC001077051738 758042357 /nfs/dbraw/zinc/04/23/57/758042357.db2.gz GVQHEZNLCIORLG-MWLCHTKSSA-N 1 2 330.310 0.237 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N1CC[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]21 ZINC001022016659 758166228 /nfs/dbraw/zinc/16/62/28/758166228.db2.gz QQHIJGLWRNIIQX-VNHYZAJKSA-N 1 2 342.399 0.852 20 30 ECEDLO C[C@@H](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)NC(=O)CSCC#N ZINC001077104241 758189526 /nfs/dbraw/zinc/18/95/26/758189526.db2.gz UOGTYLWELBVXFI-STQMWFEESA-N 1 2 349.460 0.713 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001077116689 758231017 /nfs/dbraw/zinc/23/10/17/758231017.db2.gz WGVAJQIMNQZKLM-GJZGRUSLSA-N 1 2 346.431 0.496 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC001049192527 758262209 /nfs/dbraw/zinc/26/22/09/758262209.db2.gz CWUDVTVRUURRHN-GJZGRUSLSA-N 1 2 348.447 0.595 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2nccnc2C)C[C@H]1O ZINC001077139044 758296089 /nfs/dbraw/zinc/29/60/89/758296089.db2.gz UYOLLOZKCWICIZ-NVXWUHKLSA-N 1 2 341.415 0.748 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@H]1O ZINC001077139044 758296095 /nfs/dbraw/zinc/29/60/95/758296095.db2.gz UYOLLOZKCWICIZ-NVXWUHKLSA-N 1 2 341.415 0.748 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(C)c(C)o2)C[C@H]1O ZINC001077158642 758375035 /nfs/dbraw/zinc/37/50/35/758375035.db2.gz PNDLGVATEMNJPO-OWCLPIDISA-N 1 2 346.431 0.050 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(C)c(C)o2)C[C@H]1O ZINC001077158642 758375045 /nfs/dbraw/zinc/37/50/45/758375045.db2.gz PNDLGVATEMNJPO-OWCLPIDISA-N 1 2 346.431 0.050 20 30 ECEDLO N#Cc1nccnc1NC/C=C/CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001107394392 758451788 /nfs/dbraw/zinc/45/17/88/758451788.db2.gz KYILIQKWRAPCIE-ZIYVKSGCSA-N 1 2 337.387 0.892 20 30 ECEDLO N#Cc1nccnc1NC/C=C/CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001107395378 758453897 /nfs/dbraw/zinc/45/38/97/758453897.db2.gz YQNFXDFPWPBPNL-ZIYVKSGCSA-N 1 2 337.387 0.892 20 30 ECEDLO COC1CC(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001077193765 758475732 /nfs/dbraw/zinc/47/57/32/758475732.db2.gz OUZAXPQNLOJQLW-OPQOLIRYSA-N 1 2 328.412 0.624 20 30 ECEDLO COC1CC(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001077193765 758475733 /nfs/dbraw/zinc/47/57/33/758475733.db2.gz OUZAXPQNLOJQLW-OPQOLIRYSA-N 1 2 328.412 0.624 20 30 ECEDLO O=C(C[NH2+]CCNC(=O)C(F)C(F)(F)F)NCC(F)(F)F ZINC001127773364 758557234 /nfs/dbraw/zinc/55/72/34/758557234.db2.gz QGJWCEUZDQFWHM-ZCFIWIBFSA-N 1 2 327.200 0.271 20 30 ECEDLO O=C(C[NH2+]CCNC(=O)[C@@H](F)C(F)(F)F)NCC(F)(F)F ZINC001127773364 758557240 /nfs/dbraw/zinc/55/72/40/758557240.db2.gz QGJWCEUZDQFWHM-ZCFIWIBFSA-N 1 2 327.200 0.271 20 30 ECEDLO Cc1cc(C)c(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)c(C)[nH+]1 ZINC001049395182 758625959 /nfs/dbraw/zinc/62/59/59/758625959.db2.gz RSVYURFPECJPNB-CQDKDKBSSA-N 1 2 344.415 0.810 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)C#N)C2)c[nH+]1 ZINC001049409132 758645705 /nfs/dbraw/zinc/64/57/05/758645705.db2.gz YVJBDNUHGUDKFT-XBFCOCLRSA-N 1 2 347.419 0.116 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)nn1 ZINC001049416987 758656517 /nfs/dbraw/zinc/65/65/17/758656517.db2.gz ZHDPWAINFAPAHW-KGLIPLIRSA-N 1 2 337.387 0.530 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001011829867 758687813 /nfs/dbraw/zinc/68/78/13/758687813.db2.gz HSLVFPMZTMIUJI-FZMZJTMJSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001011829867 758687822 /nfs/dbraw/zinc/68/78/22/758687822.db2.gz HSLVFPMZTMIUJI-FZMZJTMJSA-N 1 2 340.387 0.961 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3[nH]c(C)cc3C)[C@@H](O)C2)C1=O ZINC001083572914 758845252 /nfs/dbraw/zinc/84/52/52/758845252.db2.gz NCDPKSJFVOWJNQ-ILXRZTDVSA-N 1 2 346.431 0.193 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3[nH]c(C)cc3C)[C@@H](O)C2)C1=O ZINC001083572914 758845264 /nfs/dbraw/zinc/84/52/64/758845264.db2.gz NCDPKSJFVOWJNQ-ILXRZTDVSA-N 1 2 346.431 0.193 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001049581453 758958274 /nfs/dbraw/zinc/95/82/74/758958274.db2.gz HVQYCSKELNYDLC-HRCADAONSA-N 1 2 338.473 0.900 20 30 ECEDLO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001049581453 758958279 /nfs/dbraw/zinc/95/82/79/758958279.db2.gz HVQYCSKELNYDLC-HRCADAONSA-N 1 2 338.473 0.900 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(-n3ccnc3)c2)C1 ZINC001047629446 759340032 /nfs/dbraw/zinc/34/00/32/759340032.db2.gz FHCJBRYNZJTIOF-GJZGRUSLSA-N 1 2 325.372 0.018 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(-n3ccnc3)c2)C1 ZINC001047629446 759340042 /nfs/dbraw/zinc/34/00/42/759340042.db2.gz FHCJBRYNZJTIOF-GJZGRUSLSA-N 1 2 325.372 0.018 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C(C)(C)C)c2CC)C1 ZINC001047629565 759340499 /nfs/dbraw/zinc/34/04/99/759340499.db2.gz LRWIQIBOTYLLBY-HOTGVXAUSA-N 1 2 332.448 0.951 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C(C)(C)C)c2CC)C1 ZINC001047629565 759340506 /nfs/dbraw/zinc/34/05/06/759340506.db2.gz LRWIQIBOTYLLBY-HOTGVXAUSA-N 1 2 332.448 0.951 20 30 ECEDLO COCCc1noc(C[N@@H+]2C[C@@H]3CCCN(C(=O)[C@H](C)C#N)[C@@H]3C2)n1 ZINC001050000197 759525814 /nfs/dbraw/zinc/52/58/14/759525814.db2.gz RVJPNLBSVQYEJV-HZSPNIEDSA-N 1 2 347.419 0.841 20 30 ECEDLO COCCc1noc(C[N@H+]2C[C@@H]3CCCN(C(=O)[C@H](C)C#N)[C@@H]3C2)n1 ZINC001050000197 759525817 /nfs/dbraw/zinc/52/58/17/759525817.db2.gz RVJPNLBSVQYEJV-HZSPNIEDSA-N 1 2 347.419 0.841 20 30 ECEDLO Cn1ncc(C[N@@H+]2C[C@@H]3CCCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)n1 ZINC001050009401 759544825 /nfs/dbraw/zinc/54/48/25/759544825.db2.gz TVVBPWHHYBHZNL-XJKSGUPXSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1ncc(C[N@H+]2C[C@@H]3CCCN(C(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)n1 ZINC001050009401 759544828 /nfs/dbraw/zinc/54/48/28/759544828.db2.gz TVVBPWHHYBHZNL-XJKSGUPXSA-N 1 2 339.403 0.751 20 30 ECEDLO O=C(C#CC1CC1)N1CCC(OC2C[NH+](CCOCCO)C2)CC1 ZINC001105705600 759547450 /nfs/dbraw/zinc/54/74/50/759547450.db2.gz IZHGDTSSTVJENS-UHFFFAOYSA-N 1 2 336.432 0.101 20 30 ECEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CN(C(C)=O)CCO3)cc2C1 ZINC001054291155 767898626 /nfs/dbraw/zinc/89/86/26/767898626.db2.gz XMRAQVFQIRYVMT-SFHVURJKSA-N 1 2 341.411 0.499 20 30 ECEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CN(C(C)=O)CCO3)cc2C1 ZINC001054291155 767898633 /nfs/dbraw/zinc/89/86/33/767898633.db2.gz XMRAQVFQIRYVMT-SFHVURJKSA-N 1 2 341.411 0.499 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H](n2cc(C[NH2+]CC#CC)nn2)C1 ZINC001098672675 759923523 /nfs/dbraw/zinc/92/35/23/759923523.db2.gz ISAHGOBWOKLBRT-HOCLYGCPSA-N 1 2 329.404 0.203 20 30 ECEDLO COCc1noc(C[NH+]2CCC3(CN(C(=O)[C@H](C)C#N)C3)CC2)n1 ZINC001050463669 760307313 /nfs/dbraw/zinc/30/73/13/760307313.db2.gz WXMFNQNJFRDKBO-GFCCVEGCSA-N 1 2 333.392 0.800 20 30 ECEDLO CCCn1nnnc1C[NH+]1CCC2(CN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001050464129 760308691 /nfs/dbraw/zinc/30/86/91/760308691.db2.gz LXEDZAUTBGWJOG-ZDUSSCGKSA-N 1 2 331.424 0.667 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)SC)nn2)C1 ZINC001107132174 760548020 /nfs/dbraw/zinc/54/80/20/760548020.db2.gz LYQBGCTZMWILLO-LBPRGKRZSA-N 1 2 339.465 0.705 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2CC[C@@H]2CCCO2)[nH]1 ZINC001050872106 761045869 /nfs/dbraw/zinc/04/58/69/761045869.db2.gz JZFUDESKHRNNBF-GJZGRUSLSA-N 1 2 332.404 0.886 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2CC[C@@H]2CCCO2)[nH]1 ZINC001050872106 761045881 /nfs/dbraw/zinc/04/58/81/761045881.db2.gz JZFUDESKHRNNBF-GJZGRUSLSA-N 1 2 332.404 0.886 20 30 ECEDLO C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NCC#CC[NH+](C)C ZINC000913519874 761047907 /nfs/dbraw/zinc/04/79/07/761047907.db2.gz SBVIIHOEUFQOQI-CYBMUJFWSA-N 1 2 340.420 0.917 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1c1nccnc1C#N ZINC001048731633 761065157 /nfs/dbraw/zinc/06/51/57/761065157.db2.gz FLEQEJQSVHEROX-GXTWGEPZSA-N 1 2 325.376 0.718 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@H]([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001051016916 761342318 /nfs/dbraw/zinc/34/23/18/761342318.db2.gz ILIAKKIYPLQNHK-KGLIPLIRSA-N 1 2 334.420 0.898 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)CCn1cc[nH+]c1 ZINC001013407956 761375913 /nfs/dbraw/zinc/37/59/13/761375913.db2.gz RUDJGXZOGYVACC-OCCSQVGLSA-N 1 2 340.387 0.892 20 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/nfs/dbraw/zinc/50/32/60/761503260.db2.gz SRJTYQMYDUYNSJ-IAGOWNOFSA-N 1 2 331.416 0.919 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2COCC[N@@H+]2C[C@@H](CC)OC)c1 ZINC001051107387 761503263 /nfs/dbraw/zinc/50/32/63/761503263.db2.gz SRJTYQMYDUYNSJ-IAGOWNOFSA-N 1 2 331.416 0.919 20 30 ECEDLO CN1CCC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(C#N)[nH]2)C1=O ZINC001017479630 768050436 /nfs/dbraw/zinc/05/04/36/768050436.db2.gz BMTLEJOJXXQWDP-LZWOXQAQSA-N 1 2 341.415 0.796 20 30 ECEDLO CN1CCC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(C#N)[nH]2)C1=O ZINC001017479630 768050442 /nfs/dbraw/zinc/05/04/42/768050442.db2.gz BMTLEJOJXXQWDP-LZWOXQAQSA-N 1 2 341.415 0.796 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CNc1ccnc(C#N)n1 ZINC001054571064 768045396 /nfs/dbraw/zinc/04/53/96/768045396.db2.gz JQUIWNKQFATYCC-VXGBXAGGSA-N 1 2 325.376 0.242 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2COCC[N@@H+]2CC[C@H]2CCCO2)nn1 ZINC001051152099 761570528 /nfs/dbraw/zinc/57/05/28/761570528.db2.gz CIUWESMUWQHQAM-HUUCEWRRSA-N 1 2 349.435 0.464 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2COCC[N@H+]2CC[C@H]2CCCO2)nn1 ZINC001051152099 761570538 /nfs/dbraw/zinc/57/05/38/761570538.db2.gz CIUWESMUWQHQAM-HUUCEWRRSA-N 1 2 349.435 0.464 20 30 ECEDLO Cc1nc(N(C)C)nc(NCCOCCN(C)C(=O)C#CC2CC2)[nH+]1 ZINC001127311634 768049836 /nfs/dbraw/zinc/04/98/36/768049836.db2.gz WIPIXUGJGTXQHS-UHFFFAOYSA-N 1 2 346.435 0.546 20 30 ECEDLO COCc1noc(C[NH2+][C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2C)n1 ZINC001054587567 768055110 /nfs/dbraw/zinc/05/51/10/768055110.db2.gz MCHATAHLOPCCCO-GWCFXTLKSA-N 1 2 344.375 0.666 20 30 ECEDLO N#CCN1CCOC[C@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001051192209 761656724 /nfs/dbraw/zinc/65/67/24/761656724.db2.gz PDVNZIMJIPACLW-CQSZACIVSA-N 1 2 326.360 0.221 20 30 ECEDLO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc2c([nH]c1=O)CCOC2 ZINC001051201311 761676844 /nfs/dbraw/zinc/67/68/44/761676844.db2.gz JJDPUJZZWXVAFT-AWEZNQCLSA-N 1 2 345.399 0.314 20 30 ECEDLO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc2c([nH]c1=O)CCOC2 ZINC001051201311 761676847 /nfs/dbraw/zinc/67/68/47/761676847.db2.gz JJDPUJZZWXVAFT-AWEZNQCLSA-N 1 2 345.399 0.314 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2CC[C@H]2CCOC2)nc1 ZINC001051214308 761704124 /nfs/dbraw/zinc/70/41/24/761704124.db2.gz KQVRATPPOYMGHQ-DLBZAZTESA-N 1 2 343.427 0.920 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2CC[C@H]2CCOC2)nc1 ZINC001051214308 761704128 /nfs/dbraw/zinc/70/41/28/761704128.db2.gz KQVRATPPOYMGHQ-DLBZAZTESA-N 1 2 343.427 0.920 20 30 ECEDLO Cc1nc(N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](O)C2)ccc1C#N ZINC001051719127 762790675 /nfs/dbraw/zinc/79/06/75/762790675.db2.gz RUDUKRAASAOFQI-KGLIPLIRSA-N 1 2 340.387 0.283 20 30 ECEDLO Cc1nc(N(C)C)nc(NCCOCCN(C)C(=O)C#CC(C)C)[nH+]1 ZINC001127315709 768085435 /nfs/dbraw/zinc/08/54/35/768085435.db2.gz QIMGIGVEGSSECW-UHFFFAOYSA-N 1 2 348.451 0.792 20 30 ECEDLO Cc1nc(NC[C@H](O)CNC(=O)CCc2c[nH+]cn2C)ccc1C#N ZINC001105928391 762840083 /nfs/dbraw/zinc/84/00/83/762840083.db2.gz UKXBVHPVGIJKIV-HNNXBMFYSA-N 1 2 342.403 0.517 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001017532649 768089404 /nfs/dbraw/zinc/08/94/04/768089404.db2.gz CQMBPYKKWUMIMD-HIFRSBDPSA-N 1 2 341.415 0.880 20 30 ECEDLO N#Cc1nc(NC[C@@H](O)CNC(=O)Cc2[nH]cc[nH+]2)sc1Cl ZINC001105937970 762938452 /nfs/dbraw/zinc/93/84/52/762938452.db2.gz UONHTGLZTCHZMB-ZETCQYMHSA-N 1 2 340.796 0.523 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCN(c3cc[nH+]c(C)n3)C[C@@H]2O)c1 ZINC001051781260 762938668 /nfs/dbraw/zinc/93/86/68/762938668.db2.gz OYEZCAMXCOFHHD-CVEARBPZSA-N 1 2 337.383 0.531 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001014639326 762948830 /nfs/dbraw/zinc/94/88/30/762948830.db2.gz XMDBJMTUCULESM-QWHCGFSZSA-N 1 2 329.828 0.424 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001014639326 762948836 /nfs/dbraw/zinc/94/88/36/762948836.db2.gz XMDBJMTUCULESM-QWHCGFSZSA-N 1 2 329.828 0.424 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001017549892 768106251 /nfs/dbraw/zinc/10/62/51/768106251.db2.gz ODIDNHMETJWTMV-MELADBBJSA-N 1 2 327.388 0.071 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001017549892 768106257 /nfs/dbraw/zinc/10/62/57/768106257.db2.gz ODIDNHMETJWTMV-MELADBBJSA-N 1 2 327.388 0.071 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](CCS(C)(=O)=O)C2)cn1 ZINC001046783513 763119673 /nfs/dbraw/zinc/11/96/73/763119673.db2.gz PSKIWXSSEDEUMA-INIZCTEOSA-N 1 2 335.429 0.302 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](CCS(C)(=O)=O)C2)cn1 ZINC001046783513 763119676 /nfs/dbraw/zinc/11/96/76/763119676.db2.gz PSKIWXSSEDEUMA-INIZCTEOSA-N 1 2 335.429 0.302 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](CCS(C)(=O)=O)C2)cn1 ZINC001046783514 763119887 /nfs/dbraw/zinc/11/98/87/763119887.db2.gz PSKIWXSSEDEUMA-MRXNPFEDSA-N 1 2 335.429 0.302 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](CCS(C)(=O)=O)C2)cn1 ZINC001046783514 763119893 /nfs/dbraw/zinc/11/98/93/763119893.db2.gz PSKIWXSSEDEUMA-MRXNPFEDSA-N 1 2 335.429 0.302 20 30 ECEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]1OC ZINC001212346983 763153919 /nfs/dbraw/zinc/15/39/19/763153919.db2.gz MNVBGPJFUCAULH-ZIAGYGMSSA-N 1 2 347.481 0.050 20 30 ECEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1OC ZINC001212346983 763153926 /nfs/dbraw/zinc/15/39/26/763153926.db2.gz MNVBGPJFUCAULH-ZIAGYGMSSA-N 1 2 347.481 0.050 20 30 ECEDLO COCCc1noc(C[NH2+][C@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C)n1 ZINC001054640216 768114530 /nfs/dbraw/zinc/11/45/30/768114530.db2.gz XMNFIFZOKYACRD-JSGCOSHPSA-N 1 2 332.404 0.608 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2O)C1 ZINC000991758736 763284021 /nfs/dbraw/zinc/28/40/21/763284021.db2.gz CVPYOHNNOXBWFA-ZFWWWQNUSA-N 1 2 346.431 0.695 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3onc(C)c3C)C2)C1=O ZINC001014866275 763332911 /nfs/dbraw/zinc/33/29/11/763332911.db2.gz ZNOWDSPSWVEUGU-ZIAGYGMSSA-N 1 2 332.404 0.882 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3onc(C)c3C)C2)C1=O ZINC001014866275 763332919 /nfs/dbraw/zinc/33/29/19/763332919.db2.gz ZNOWDSPSWVEUGU-ZIAGYGMSSA-N 1 2 332.404 0.882 20 30 ECEDLO C[C@@H](C(N)=O)[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046927690 763401466 /nfs/dbraw/zinc/40/14/66/763401466.db2.gz LHYKYJHUTDAPGQ-VHSXEESVSA-N 1 2 339.346 0.447 20 30 ECEDLO C[C@@H](C(N)=O)[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001046927690 763401472 /nfs/dbraw/zinc/40/14/72/763401472.db2.gz LHYKYJHUTDAPGQ-VHSXEESVSA-N 1 2 339.346 0.447 20 30 ECEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@H]3CCNC3=O)C2)c1 ZINC001031899434 763447504 /nfs/dbraw/zinc/44/75/04/763447504.db2.gz ADADQRMXWKTCAR-AWEZNQCLSA-N 1 2 330.363 0.381 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@]23C[C@H]2COC3)C1=O ZINC001017569313 768139165 /nfs/dbraw/zinc/13/91/65/768139165.db2.gz LAYLYNQICIGKSI-DBDOFBCQSA-N 1 2 345.443 0.485 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@]23C[C@H]2COC3)C1=O ZINC001017569313 768139170 /nfs/dbraw/zinc/13/91/70/768139170.db2.gz LAYLYNQICIGKSI-DBDOFBCQSA-N 1 2 345.443 0.485 20 30 ECEDLO Cc1ccnc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)n1 ZINC001051997322 763547537 /nfs/dbraw/zinc/54/75/37/763547537.db2.gz ADKFCQUVKYCRAZ-HOCLYGCPSA-N 1 2 342.447 0.663 20 30 ECEDLO CCn1ccnc1CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001051997885 763548456 /nfs/dbraw/zinc/54/84/56/763548456.db2.gz JRLQKUYKTQQSBG-JKSUJKDBSA-N 1 2 344.463 0.781 20 30 ECEDLO Cc1cc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)ncn1 ZINC001051998001 763550441 /nfs/dbraw/zinc/55/04/41/763550441.db2.gz MCJSBNYMFRBCQH-RHSMWYFYSA-N 1 2 342.447 0.663 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3COC(=O)C3)C2)CC1 ZINC001052012245 763584067 /nfs/dbraw/zinc/58/40/67/763584067.db2.gz GHIPSPPQMVMWCZ-HZPDHXFCSA-N 1 2 335.448 0.734 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)Cc3nnc(C)o3)C2)CC1 ZINC001052022231 763606298 /nfs/dbraw/zinc/60/62/98/763606298.db2.gz KQMDAPKTGYURON-OAHLLOKOSA-N 1 2 333.436 0.715 20 30 ECEDLO C#CCC1(C(=O)NC[C@H](O)CNc2nc(N(C)C)nc(C)[nH+]2)CCC1 ZINC001106004129 763610226 /nfs/dbraw/zinc/61/02/26/763610226.db2.gz MJYLZUUGABCSJN-ZDUSSCGKSA-N 1 2 346.435 0.329 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H](O)C(C)C)C2)CC1 ZINC001052024784 763614692 /nfs/dbraw/zinc/61/46/92/763614692.db2.gz NAVCIAHAVQSWMO-LSDHHAIUSA-N 1 2 329.872 0.974 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)c3ccnn3C)C2)CC1 ZINC001052030312 763629634 /nfs/dbraw/zinc/62/96/34/763629634.db2.gz LXGWLHKOKLSAGQ-IRXDYDNUSA-N 1 2 343.475 0.765 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccnn3C(C)C)C2)CC1 ZINC001052032693 763634747 /nfs/dbraw/zinc/63/47/47/763634747.db2.gz IXWQSTLLMQAYKK-INIZCTEOSA-N 1 2 329.448 0.929 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn4c3CCC4)C2)CC1 ZINC001052035893 763644705 /nfs/dbraw/zinc/64/47/05/763644705.db2.gz STLROYWRRNEPTN-OAHLLOKOSA-N 1 2 329.448 0.847 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc4n[nH]nc4n3)C2)CC1 ZINC001052035881 763645344 /nfs/dbraw/zinc/64/53/44/763645344.db2.gz SNERHSCIWURCEY-ZDUSSCGKSA-N 1 2 341.419 0.371 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc4n3CCC4)C2)CC1 ZINC001052037365 763655299 /nfs/dbraw/zinc/65/52/99/763655299.db2.gz LQSLUWQCDHIPJX-OAHLLOKOSA-N 1 2 329.448 0.847 20 30 ECEDLO COc1cc(C)cnc1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052037384 763655523 /nfs/dbraw/zinc/65/55/23/763655523.db2.gz LTAFEAMJUKYKFO-OAHLLOKOSA-N 1 2 343.431 0.754 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)C[C@H]3CCN(C)C3=O)C2)CC1 ZINC001052041216 763665115 /nfs/dbraw/zinc/66/51/15/763665115.db2.gz VYMUEIIMEVJDPW-SJORKVTESA-N 1 2 346.475 0.097 20 30 ECEDLO CCOc1cc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)[nH]n1 ZINC001052041132 763665837 /nfs/dbraw/zinc/66/58/37/763665837.db2.gz SRNFEXZQYNJRHT-ZDUSSCGKSA-N 1 2 332.408 0.164 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@]3(CC)CCNC3=O)C2)CC1 ZINC001052041631 763668163 /nfs/dbraw/zinc/66/81/63/763668163.db2.gz NJRAYTVFZRQFBH-QFBILLFUSA-N 1 2 346.475 0.145 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)Cc3nc(CC)c[nH]3)C2)CC1 ZINC001052041830 763669773 /nfs/dbraw/zinc/66/97/73/763669773.db2.gz SJHZZGLVSKRYOW-KRWDZBQOSA-N 1 2 343.475 0.756 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3coc(OCC)n3)C2)CC1 ZINC001052046822 763688659 /nfs/dbraw/zinc/68/86/59/763688659.db2.gz DTSYJRWSTDLEGL-AWEZNQCLSA-N 1 2 332.404 0.539 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3coc(OCC)n3)C2)CC1 ZINC001052046822 763688664 /nfs/dbraw/zinc/68/86/64/763688664.db2.gz DTSYJRWSTDLEGL-AWEZNQCLSA-N 1 2 332.404 0.539 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cccc4ncnn43)C2)CC1 ZINC001052046852 763688948 /nfs/dbraw/zinc/68/89/48/763688948.db2.gz FNESBJFOUVHPEL-HNNXBMFYSA-N 1 2 340.431 0.747 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)CC1 ZINC001052048508 763696811 /nfs/dbraw/zinc/69/68/11/763696811.db2.gz WGTLFLYKFAQWLG-QGZVFWFLSA-N 1 2 342.443 0.241 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@H]3CCCC(=O)N3)C2)CC1 ZINC001052050743 763707902 /nfs/dbraw/zinc/70/79/02/763707902.db2.gz YNEOXXFECWTUPK-IAGOWNOFSA-N 1 2 346.475 0.287 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001052053453 763718341 /nfs/dbraw/zinc/71/83/41/763718341.db2.gz LMNCEMUDOYYVSU-RFSXOUPVSA-N 1 2 329.444 0.262 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001015036347 763719683 /nfs/dbraw/zinc/71/96/83/763719683.db2.gz QMCFVQZMKOAWKG-JSGCOSHPSA-N 1 2 340.387 0.892 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)C2)CC1 ZINC001052056260 763726921 /nfs/dbraw/zinc/72/69/21/763726921.db2.gz WGPGSMWZBRUHHQ-BRWVUGGUSA-N 1 2 341.459 0.375 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3c(C)nn(C)c3C)C2)CC1 ZINC001052058810 763736294 /nfs/dbraw/zinc/73/62/94/763736294.db2.gz AOAXBEYLAZCDQG-INIZCTEOSA-N 1 2 329.448 0.502 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]([NH+]2CCN([C@H](C)C(N)=O)CC2)C1 ZINC001052059549 763737464 /nfs/dbraw/zinc/73/74/64/763737464.db2.gz KNGKUFQAQHSYMN-CABCVRRESA-N 1 2 336.480 0.681 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC000991817614 763741938 /nfs/dbraw/zinc/74/19/38/763741938.db2.gz OWDOKBGKNVNRMI-KBPBESRZSA-N 1 2 334.420 0.633 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c(C)nc[nH]c3=O)C2)CC1 ZINC001052068732 763763116 /nfs/dbraw/zinc/76/31/16/763763116.db2.gz MXOCYVGNDZISPH-OAHLLOKOSA-N 1 2 343.431 0.346 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc4n[nH]cc4c3)C2)CC1 ZINC001052069205 763764836 /nfs/dbraw/zinc/76/48/36/763764836.db2.gz TWGOJSQNQZKIIY-INIZCTEOSA-N 1 2 338.415 0.919 20 30 ECEDLO COc1cc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)cc(C)n1 ZINC001052070997 763770944 /nfs/dbraw/zinc/77/09/44/763770944.db2.gz OMMWVGRKECSPRM-MRXNPFEDSA-N 1 2 343.431 0.754 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc4nonc4c3)C2)CC1 ZINC001052074150 763779879 /nfs/dbraw/zinc/77/98/79/763779879.db2.gz VCARQADOWYRLEI-CQSZACIVSA-N 1 2 340.387 0.578 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@H]([NH+]3CCN(CC(=O)NC)CC3)C2)C1 ZINC001052080690 763795949 /nfs/dbraw/zinc/79/59/49/763795949.db2.gz GFLQNGAOHJWLNA-HNNXBMFYSA-N 1 2 334.464 0.307 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3nccn4ccnc34)C2)CC1 ZINC001052085206 763811254 /nfs/dbraw/zinc/81/12/54/763811254.db2.gz ACBODQOZVVXALZ-OAHLLOKOSA-N 1 2 338.415 0.195 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc4cccnn43)C2)CC1 ZINC001052092515 763833074 /nfs/dbraw/zinc/83/30/74/763833074.db2.gz AJDIYRCLRSEQEH-MRXNPFEDSA-N 1 2 338.415 0.690 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)c3c(C)n[nH]c3C)C2)CC1 ZINC001052097977 763851735 /nfs/dbraw/zinc/85/17/35/763851735.db2.gz AWTMBMHNBBFUPF-WMLDXEAASA-N 1 2 343.475 0.982 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3c(C)n[nH]c3C)C2)CC1 ZINC001052098683 763854564 /nfs/dbraw/zinc/85/45/64/763854564.db2.gz NDBVFIOQWIAZLQ-INIZCTEOSA-N 1 2 329.448 0.882 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)F)C2)C1=O ZINC001047276631 763864756 /nfs/dbraw/zinc/86/47/56/763864756.db2.gz DWAJGBILYWEGEA-AVGNSLFASA-N 1 2 327.400 0.025 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)F)C2)C1=O ZINC001047276631 763864763 /nfs/dbraw/zinc/86/47/63/763864763.db2.gz DWAJGBILYWEGEA-AVGNSLFASA-N 1 2 327.400 0.025 20 30 ECEDLO CCC1(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)CCOCC1 ZINC001052102631 763866146 /nfs/dbraw/zinc/86/61/46/763866146.db2.gz GDVQTXPQOSLODC-INIZCTEOSA-N 1 2 334.464 0.935 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3nnn(C(C)C)c3C)C2)CC1 ZINC001052103711 763870708 /nfs/dbraw/zinc/87/07/08/763870708.db2.gz TZFXAWRLASTHEL-INIZCTEOSA-N 1 2 344.463 0.633 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3nnn(C(C)C)c3C)C2)CC1 ZINC001052103711 763870720 /nfs/dbraw/zinc/87/07/20/763870720.db2.gz TZFXAWRLASTHEL-INIZCTEOSA-N 1 2 344.463 0.633 20 30 ECEDLO CN(C(=O)[C@H]1CCCO1)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047296160 763913699 /nfs/dbraw/zinc/91/36/99/763913699.db2.gz YVTKFGJGNBWZSD-SOUVJXGZSA-N 1 2 335.429 0.802 20 30 ECEDLO CN(C(=O)[C@H]1CCCO1)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047296160 763913702 /nfs/dbraw/zinc/91/37/02/763913702.db2.gz YVTKFGJGNBWZSD-SOUVJXGZSA-N 1 2 335.429 0.802 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)C2)CC1 ZINC001052113537 763914277 /nfs/dbraw/zinc/91/42/77/763914277.db2.gz YLNRKXRWMQEJJN-QZTJIDSGSA-N 1 2 346.475 0.097 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)CN3CCCCCC3=O)C2)CC1 ZINC001052116953 763925761 /nfs/dbraw/zinc/92/57/61/763925761.db2.gz CAQDVONMLVZINL-QGZVFWFLSA-N 1 2 346.475 0.241 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C2)CC1 ZINC001052117137 763927260 /nfs/dbraw/zinc/92/72/60/763927260.db2.gz HQGNYBQFJBXAIN-MRXNPFEDSA-N 1 2 341.415 0.141 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cncnc3CC)C2)CC1 ZINC001052117799 763929620 /nfs/dbraw/zinc/92/96/20/763929620.db2.gz DFBZZRCCBHKLCL-HNNXBMFYSA-N 1 2 327.432 0.504 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cncnc3CC)C2)CC1 ZINC001052117799 763929631 /nfs/dbraw/zinc/92/96/31/763929631.db2.gz DFBZZRCCBHKLCL-HNNXBMFYSA-N 1 2 327.432 0.504 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C2)CC1 ZINC001052117859 763930477 /nfs/dbraw/zinc/93/04/77/763930477.db2.gz FPPFCUSWDGUXPR-HNNXBMFYSA-N 1 2 345.447 0.522 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(-c2cccnc2)nn1 ZINC001017603154 768179039 /nfs/dbraw/zinc/17/90/39/768179039.db2.gz IKDMUSIWFNFEOA-IYBDPMFKSA-N 1 2 336.399 0.974 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(-c2cccnc2)nn1 ZINC001017603154 768179046 /nfs/dbraw/zinc/17/90/46/768179046.db2.gz IKDMUSIWFNFEOA-IYBDPMFKSA-N 1 2 336.399 0.974 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](CC(=O)N2CCC[C@H](C)C2)C1 ZINC001031987521 763994888 /nfs/dbraw/zinc/99/48/88/763994888.db2.gz RHANJYHFFLAGIL-UAGQMJEPSA-N 1 2 349.475 0.884 20 30 ECEDLO Cc1cc(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)on1 ZINC001047338147 764045706 /nfs/dbraw/zinc/04/57/06/764045706.db2.gz QXUQHMPXXJTHHB-GJZGRUSLSA-N 1 2 329.360 0.500 20 30 ECEDLO Cc1cc(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)on1 ZINC001047338147 764045713 /nfs/dbraw/zinc/04/57/13/764045713.db2.gz QXUQHMPXXJTHHB-GJZGRUSLSA-N 1 2 329.360 0.500 20 30 ECEDLO C=CCOCC(=O)N1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001052220591 764080318 /nfs/dbraw/zinc/08/03/18/764080318.db2.gz KWKQCZWBBINQBQ-HUUCEWRRSA-N 1 2 348.447 0.766 20 30 ECEDLO Cc1nocc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001047353254 764087254 /nfs/dbraw/zinc/08/72/54/764087254.db2.gz FQKQQLWDKOHESB-GJZGRUSLSA-N 1 2 329.360 0.500 20 30 ECEDLO Cc1nocc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001047353254 764087263 /nfs/dbraw/zinc/08/72/63/764087263.db2.gz FQKQQLWDKOHESB-GJZGRUSLSA-N 1 2 329.360 0.500 20 30 ECEDLO Cc1cc(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)on1 ZINC001047353627 764089791 /nfs/dbraw/zinc/08/97/91/764089791.db2.gz KSUYJYNHLIULIZ-GJZGRUSLSA-N 1 2 329.360 0.500 20 30 ECEDLO Cc1cc(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)on1 ZINC001047353627 764089797 /nfs/dbraw/zinc/08/97/97/764089797.db2.gz KSUYJYNHLIULIZ-GJZGRUSLSA-N 1 2 329.360 0.500 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3[nH]ccc3C)C2)C1=O ZINC001047367242 764130330 /nfs/dbraw/zinc/13/03/30/764130330.db2.gz GHCAEQOJNZDPON-ILXRZTDVSA-N 1 2 346.431 0.227 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3[nH]ccc3C)C2)C1=O ZINC001047367242 764130335 /nfs/dbraw/zinc/13/03/35/764130335.db2.gz GHCAEQOJNZDPON-ILXRZTDVSA-N 1 2 346.431 0.227 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001127327419 768192015 /nfs/dbraw/zinc/19/20/15/768192015.db2.gz LGFQHPGPBDTGBH-CQSZACIVSA-N 1 2 347.463 0.960 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC001047393178 764199907 /nfs/dbraw/zinc/19/99/07/764199907.db2.gz YROVVWWGGNYJLV-QWRGUYRKSA-N 1 2 330.310 0.189 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC001047393178 764199913 /nfs/dbraw/zinc/19/99/13/764199913.db2.gz YROVVWWGGNYJLV-QWRGUYRKSA-N 1 2 330.310 0.189 20 30 ECEDLO C=CCOCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001047399905 764220359 /nfs/dbraw/zinc/22/03/59/764220359.db2.gz VNZKNKVOVGSQKG-IHRRRGAJSA-N 1 2 332.404 0.651 20 30 ECEDLO C=CCn1cc(C(=O)NCC2C[NH+](CC(=O)NC3CCCC3)C2)nn1 ZINC001032035509 764223296 /nfs/dbraw/zinc/22/32/96/764223296.db2.gz BVTVTXGVRJXYIY-UHFFFAOYSA-N 1 2 346.435 0.185 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2N(C)C(C)=O)C1 ZINC001077478683 764346361 /nfs/dbraw/zinc/34/63/61/764346361.db2.gz MWRYPSCEVCUYFG-NVXWUHKLSA-N 1 2 329.400 0.468 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2N(C)C(C)=O)C1 ZINC001077478683 764346364 /nfs/dbraw/zinc/34/63/64/764346364.db2.gz MWRYPSCEVCUYFG-NVXWUHKLSA-N 1 2 329.400 0.468 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(OC)ccnc2OC)C1 ZINC001047454085 764396850 /nfs/dbraw/zinc/39/68/50/764396850.db2.gz VIXKYRUNILXQJK-STQMWFEESA-N 1 2 333.388 0.239 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(OC)ccnc2OC)C1 ZINC001047454085 764396856 /nfs/dbraw/zinc/39/68/56/764396856.db2.gz VIXKYRUNILXQJK-STQMWFEESA-N 1 2 333.388 0.239 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC001047479070 764463137 /nfs/dbraw/zinc/46/31/37/764463137.db2.gz JUIJMNCQLNQKNN-STQMWFEESA-N 1 2 327.306 0.851 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC001047479070 764463142 /nfs/dbraw/zinc/46/31/42/764463142.db2.gz JUIJMNCQLNQKNN-STQMWFEESA-N 1 2 327.306 0.851 20 30 ECEDLO Cc1nn[nH]c1C(=O)N(C)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047480993 764472324 /nfs/dbraw/zinc/47/23/24/764472324.db2.gz TYLGBQVUYPIBNT-GJZGRUSLSA-N 1 2 340.387 0.302 20 30 ECEDLO Cc1nn[nH]c1C(=O)N(C)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047480993 764472330 /nfs/dbraw/zinc/47/23/30/764472330.db2.gz TYLGBQVUYPIBNT-GJZGRUSLSA-N 1 2 340.387 0.302 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3coc(OC)n3)C2)C1=O ZINC001015412231 764563398 /nfs/dbraw/zinc/56/33/98/764563398.db2.gz JSDDKZUBADUYGW-DGCLKSJQSA-N 1 2 334.376 0.274 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3coc(OC)n3)C2)C1=O ZINC001015412231 764563404 /nfs/dbraw/zinc/56/34/04/764563404.db2.gz JSDDKZUBADUYGW-DGCLKSJQSA-N 1 2 334.376 0.274 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cn(CC)cn3)C2)nn1 ZINC001098767313 764603127 /nfs/dbraw/zinc/60/31/27/764603127.db2.gz LBZVTOCEOUWKEI-AWEZNQCLSA-N 1 2 327.392 0.305 20 30 ECEDLO Cc1cc(NCC[C@@H](C)NC(=O)Cc2c[nH+]cn2C)c(C#N)cn1 ZINC001106382164 768226715 /nfs/dbraw/zinc/22/67/15/768226715.db2.gz XSSNSMHDQGPYOL-GFCCVEGCSA-N 1 2 326.404 0.967 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C)nc2OCCC)C1 ZINC001047580794 764762801 /nfs/dbraw/zinc/76/28/01/764762801.db2.gz VPFKZCOIPPQSEH-HOTGVXAUSA-N 1 2 331.416 0.929 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C)nc2OCCC)C1 ZINC001047580794 764762805 /nfs/dbraw/zinc/76/28/05/764762805.db2.gz VPFKZCOIPPQSEH-HOTGVXAUSA-N 1 2 331.416 0.929 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3ccnc(OC)n3)C2)nc1 ZINC001032134812 764782034 /nfs/dbraw/zinc/78/20/34/764782034.db2.gz CJRXKNMXANJJFV-UHFFFAOYSA-N 1 2 337.383 0.723 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C(=O)N(C)C)c2)C1 ZINC001047600164 764841232 /nfs/dbraw/zinc/84/12/32/764841232.db2.gz LGRXONPYZUZSMZ-HOTGVXAUSA-N 1 2 329.400 0.139 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C(=O)N(C)C)c2)C1 ZINC001047600164 764841242 /nfs/dbraw/zinc/84/12/42/764841242.db2.gz LGRXONPYZUZSMZ-HOTGVXAUSA-N 1 2 329.400 0.139 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)c1 ZINC001015512811 764843940 /nfs/dbraw/zinc/84/39/40/764843940.db2.gz WNNIIGUSAVYAJA-ZIAGYGMSSA-N 1 2 330.363 0.524 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)c1 ZINC001015512811 764843944 /nfs/dbraw/zinc/84/39/44/764843944.db2.gz WNNIIGUSAVYAJA-ZIAGYGMSSA-N 1 2 330.363 0.524 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](n3cc(C[NH2+]CCF)nn3)C2)nc1 ZINC001098773540 764887072 /nfs/dbraw/zinc/88/70/72/764887072.db2.gz FBZBTIAKPWKZGW-OAHLLOKOSA-N 1 2 342.378 0.801 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C3(C)CCCC3)[C@@H](O)C2)C1=O ZINC001083679189 764891552 /nfs/dbraw/zinc/89/15/52/764891552.db2.gz YAAPZOMFXNFUNL-ILXRZTDVSA-N 1 2 335.448 0.515 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C3(C)CCCC3)[C@@H](O)C2)C1=O ZINC001083679189 764891558 /nfs/dbraw/zinc/89/15/58/764891558.db2.gz YAAPZOMFXNFUNL-ILXRZTDVSA-N 1 2 335.448 0.515 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2nnnn2C)CC1 ZINC001052723501 765044880 /nfs/dbraw/zinc/04/48/80/765044880.db2.gz SSBKMZRHKCNCPQ-MCIONIFRSA-N 1 2 334.424 0.272 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2nnnn2C)CC1 ZINC001052723501 765044886 /nfs/dbraw/zinc/04/48/86/765044886.db2.gz SSBKMZRHKCNCPQ-MCIONIFRSA-N 1 2 334.424 0.272 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c(F)c1 ZINC001015632717 765103821 /nfs/dbraw/zinc/10/38/21/765103821.db2.gz BDJJVNUQHLVHLF-JSGCOSHPSA-N 1 2 331.351 0.069 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c(F)c1 ZINC001015632717 765103824 /nfs/dbraw/zinc/10/38/24/765103824.db2.gz BDJJVNUQHLVHLF-JSGCOSHPSA-N 1 2 331.351 0.069 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ocnc3CC)C2)C1=O ZINC001015675860 765147570 /nfs/dbraw/zinc/14/75/70/765147570.db2.gz DJTOZOSZBBWALS-JSGCOSHPSA-N 1 2 332.404 0.828 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ocnc3CC)C2)C1=O ZINC001015675860 765147575 /nfs/dbraw/zinc/14/75/75/765147575.db2.gz DJTOZOSZBBWALS-JSGCOSHPSA-N 1 2 332.404 0.828 20 30 ECEDLO C#CCOCCC(=O)NC[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001052814323 765169923 /nfs/dbraw/zinc/16/99/23/765169923.db2.gz MHOYOLQSTRLSBE-CABCVRRESA-N 1 2 346.431 0.593 20 30 ECEDLO C#CCOCCC(=O)NC[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001052814323 765169926 /nfs/dbraw/zinc/16/99/26/765169926.db2.gz MHOYOLQSTRLSBE-CABCVRRESA-N 1 2 346.431 0.593 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001052814329 765170766 /nfs/dbraw/zinc/17/07/66/765170766.db2.gz MHOYOLQSTRLSBE-LSDHHAIUSA-N 1 2 346.431 0.593 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001052814329 765170771 /nfs/dbraw/zinc/17/07/71/765170771.db2.gz MHOYOLQSTRLSBE-LSDHHAIUSA-N 1 2 346.431 0.593 20 30 ECEDLO C[C@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CCNC1=O ZINC001015695476 765176747 /nfs/dbraw/zinc/17/67/47/765176747.db2.gz KSGRMOQHSDDVQH-KSSFIOAISA-N 1 2 344.390 0.914 20 30 ECEDLO C[C@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CCNC1=O ZINC001015695476 765176752 /nfs/dbraw/zinc/17/67/52/765176752.db2.gz KSGRMOQHSDDVQH-KSSFIOAISA-N 1 2 344.390 0.914 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000992073754 765380388 /nfs/dbraw/zinc/38/03/88/765380388.db2.gz CPHZUNQIBZFKMQ-CABCVRRESA-N 1 2 332.404 0.651 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000992073754 765380400 /nfs/dbraw/zinc/38/04/00/765380400.db2.gz CPHZUNQIBZFKMQ-CABCVRRESA-N 1 2 332.404 0.651 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015836775 765410699 /nfs/dbraw/zinc/41/06/99/765410699.db2.gz KGAOHBZKZJQAPR-HNNXBMFYSA-N 1 2 340.383 0.302 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015836775 765410705 /nfs/dbraw/zinc/41/07/05/765410705.db2.gz KGAOHBZKZJQAPR-HNNXBMFYSA-N 1 2 340.383 0.302 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)no3)C[C@H]2O)cc1 ZINC001077493725 765586143 /nfs/dbraw/zinc/58/61/43/765586143.db2.gz HTMFJNCEFOGMFO-IAGOWNOFSA-N 1 2 325.368 0.939 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)no3)C[C@H]2O)cc1 ZINC001077493725 765586147 /nfs/dbraw/zinc/58/61/47/765586147.db2.gz HTMFJNCEFOGMFO-IAGOWNOFSA-N 1 2 325.368 0.939 20 30 ECEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(S(N)(=O)=O)o1 ZINC001017706382 768311322 /nfs/dbraw/zinc/31/13/22/768311322.db2.gz NMWDLNCBCBRPMR-PHIMTYICSA-N 1 2 325.390 0.402 20 30 ECEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(S(N)(=O)=O)o1 ZINC001017706382 768311332 /nfs/dbraw/zinc/31/13/32/768311332.db2.gz NMWDLNCBCBRPMR-PHIMTYICSA-N 1 2 325.390 0.402 20 30 ECEDLO C=CCOCCCC(=O)N[C@@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001077498253 765713381 /nfs/dbraw/zinc/71/33/81/765713381.db2.gz KKBXTNQKQQHIQW-AWEZNQCLSA-N 1 2 336.436 0.956 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001016014987 765722141 /nfs/dbraw/zinc/72/21/41/765722141.db2.gz CYLWMLDRLCYZLO-CQSZACIVSA-N 1 2 339.399 0.831 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001016014987 765722145 /nfs/dbraw/zinc/72/21/45/765722145.db2.gz CYLWMLDRLCYZLO-CQSZACIVSA-N 1 2 339.399 0.831 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)Cn3cncn3)C2)c1 ZINC001016194162 765891525 /nfs/dbraw/zinc/89/15/25/765891525.db2.gz FVEONQNNIUDTAJ-AWEZNQCLSA-N 1 2 328.351 0.680 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)Cn3cncn3)C2)c1 ZINC001016194162 765891527 /nfs/dbraw/zinc/89/15/27/765891527.db2.gz FVEONQNNIUDTAJ-AWEZNQCLSA-N 1 2 328.351 0.680 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC(=O)N(C(C)C)C1)CCO2 ZINC001053281162 765895124 /nfs/dbraw/zinc/89/51/24/765895124.db2.gz RSEWKKCMPXQEOZ-HNNXBMFYSA-N 1 2 335.448 0.733 20 30 ECEDLO C=CCN1CC2(C1)CN(C(=O)[C@H]1CCc3[nH+]c(C)[nH]c3C1)CCO2 ZINC001053316411 765958107 /nfs/dbraw/zinc/95/81/07/765958107.db2.gz RDGDVKFXQADEFP-AWEZNQCLSA-N 1 2 330.432 0.922 20 30 ECEDLO C=CCN1CC2(C1)CN(C(=O)[C@H]1CCc3[nH]c(C)[nH+]c3C1)CCO2 ZINC001053316411 765958110 /nfs/dbraw/zinc/95/81/10/765958110.db2.gz RDGDVKFXQADEFP-AWEZNQCLSA-N 1 2 330.432 0.922 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccn(CCOC)n1)CCO2 ZINC001053335131 765993988 /nfs/dbraw/zinc/99/39/88/765993988.db2.gz AGGSRAIYSPPXOI-UHFFFAOYSA-N 1 2 334.420 0.632 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCCCS1(=O)=O ZINC001017739477 768339484 /nfs/dbraw/zinc/33/94/84/768339484.db2.gz MPYZLCAVBWQZGN-GASCZTMLSA-N 1 2 339.461 0.111 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCCCS1(=O)=O ZINC001017739477 768339492 /nfs/dbraw/zinc/33/94/92/768339492.db2.gz MPYZLCAVBWQZGN-GASCZTMLSA-N 1 2 339.461 0.111 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC(=O)N[C@H](CC)C1)CCO2 ZINC001053355900 766022670 /nfs/dbraw/zinc/02/26/70/766022670.db2.gz HNPVDWGDUGUDRN-LSDHHAIUSA-N 1 2 335.448 0.781 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCOC3(C[NH+](C[C@H](C)OC)C3)C2)c1 ZINC001053422552 766106894 /nfs/dbraw/zinc/10/68/94/766106894.db2.gz MCYNITNGHHZTEH-AWEZNQCLSA-N 1 2 329.400 0.625 20 30 ECEDLO C=CCN1CC2(C1)CN(C(=O)C1([NH+]3CCOCC3)CCCC1)CCO2 ZINC001053454131 766161733 /nfs/dbraw/zinc/16/17/33/766161733.db2.gz RXEGYPVLFBWCBF-UHFFFAOYSA-N 1 2 349.475 0.731 20 30 ECEDLO C=CCn1cc(C(=O)N2CCOC3(C[NH+](CC[C@H](C)F)C3)C2)nn1 ZINC001053464060 766176408 /nfs/dbraw/zinc/17/64/08/766176408.db2.gz XTELXIVRTAFJHZ-ZDUSSCGKSA-N 1 2 337.399 0.739 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C(C)(C)N1CCOCC1)CCO2 ZINC001053472733 766191394 /nfs/dbraw/zinc/19/13/94/766191394.db2.gz QZPIKAGHNVNEGK-UHFFFAOYSA-N 1 2 337.464 0.587 20 30 ECEDLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212248759 766361875 /nfs/dbraw/zinc/36/18/75/766361875.db2.gz MLFAZVZDTXXLAT-BPLDGKMQSA-N 1 2 335.448 0.518 20 30 ECEDLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212248759 766361884 /nfs/dbraw/zinc/36/18/84/766361884.db2.gz MLFAZVZDTXXLAT-BPLDGKMQSA-N 1 2 335.448 0.518 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccn3nnnc13)O2 ZINC001053604270 766413942 /nfs/dbraw/zinc/41/39/42/766413942.db2.gz AJXIIUURLLMPRX-LBPRGKRZSA-N 1 2 328.376 0.274 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnn3ccncc13)O2 ZINC001053610002 766427957 /nfs/dbraw/zinc/42/79/57/766427957.db2.gz HPEHOPQQOIPBAW-ZDUSSCGKSA-N 1 2 327.388 0.879 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cn3c(n1)COCC3)O2 ZINC001053617736 766443314 /nfs/dbraw/zinc/44/33/14/766443314.db2.gz GCLFHEWDWCCFNE-AWEZNQCLSA-N 1 2 346.431 0.953 20 30 ECEDLO N#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCn3cc[nH+]c3C1)O2 ZINC001053618936 766446532 /nfs/dbraw/zinc/44/65/32/766446532.db2.gz GLRABSQJJCBKFL-KBPBESRZSA-N 1 2 329.404 0.319 20 30 ECEDLO C=CCN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCc3c[nH+]cn3C1)O2 ZINC001053619568 766449570 /nfs/dbraw/zinc/44/95/70/766449570.db2.gz SRONASKSHRFVMV-HOCLYGCPSA-N 1 2 330.432 0.981 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc3nnnn3c1)O2 ZINC001053628817 766474573 /nfs/dbraw/zinc/47/45/73/766474573.db2.gz YJGFDSVBHVFFGR-CQSZACIVSA-N 1 2 342.403 0.664 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCc3nnn(C)c3C1)O2 ZINC001053651443 766513117 /nfs/dbraw/zinc/51/31/17/766513117.db2.gz CGDHOUNBYCXJMZ-ZIAGYGMSSA-N 1 2 345.447 0.456 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccc(=O)n1C)O2 ZINC001053657033 766525607 /nfs/dbraw/zinc/52/56/07/766525607.db2.gz FDODGWANLSBNLP-CQSZACIVSA-N 1 2 331.416 0.925 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c(C)c[nH]c1CC(N)=O)O2 ZINC001053666228 766541645 /nfs/dbraw/zinc/54/16/45/766541645.db2.gz BMWVFIVNWKWTBV-ZDUSSCGKSA-N 1 2 346.431 0.500 20 30 ECEDLO Cn1nnnc1C[NH+]1CCC2(C[C@H]2NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001016588818 766548267 /nfs/dbraw/zinc/54/82/67/766548267.db2.gz RDLHCYKRDRCCKZ-CYBMUJFWSA-N 1 2 340.391 0.194 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CC(=O)N(CCC)C1)O2 ZINC001053670576 766550159 /nfs/dbraw/zinc/55/01/59/766550159.db2.gz QUFQZUCEPXNFRZ-LSDHHAIUSA-N 1 2 335.448 0.781 20 30 ECEDLO C[C@@H](CC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1)n1cc[nH+]c1 ZINC001106131613 766591239 /nfs/dbraw/zinc/59/12/39/766591239.db2.gz GGKCKRGFBRCDSE-AAEUAGOBSA-N 1 2 329.364 0.085 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCN(C(=O)CC)C1)O2 ZINC001053688365 766593312 /nfs/dbraw/zinc/59/33/12/766593312.db2.gz PIAOEXXJBCKAJO-HUUCEWRRSA-N 1 2 335.448 0.781 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCc3nncn3C1)O2 ZINC001053701536 766623389 /nfs/dbraw/zinc/62/33/89/766623389.db2.gz XKNIMRCEJQVZSD-KBPBESRZSA-N 1 2 331.420 0.376 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(C(N)=O)cn1)O2 ZINC001053702675 766625449 /nfs/dbraw/zinc/62/54/49/766625449.db2.gz APWNZIZXNJTQDB-CYBMUJFWSA-N 1 2 330.388 0.330 20 30 ECEDLO Cc1nc(C[N@H+]2CC[C@@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)co1 ZINC001046011252 766635722 /nfs/dbraw/zinc/63/57/22/766635722.db2.gz AZZOJGTWMZBUPP-XJKSGUPXSA-N 1 2 331.420 0.861 20 30 ECEDLO Cc1nc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)co1 ZINC001046011252 766635725 /nfs/dbraw/zinc/63/57/25/766635725.db2.gz AZZOJGTWMZBUPP-XJKSGUPXSA-N 1 2 331.420 0.861 20 30 ECEDLO CCn1cc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)nn1 ZINC001046011407 766636161 /nfs/dbraw/zinc/63/61/61/766636161.db2.gz DERPFNHZAKFPEU-ZBFHGGJFSA-N 1 2 345.451 0.176 20 30 ECEDLO CCn1cc(C[N@H+]2CC[C@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)nn1 ZINC001046011407 766636164 /nfs/dbraw/zinc/63/61/64/766636164.db2.gz DERPFNHZAKFPEU-ZBFHGGJFSA-N 1 2 345.451 0.176 20 30 ECEDLO CCc1noc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)n1 ZINC001046011768 766636823 /nfs/dbraw/zinc/63/68/23/766636823.db2.gz HGIAHCNAHCGZSA-ZIAGYGMSSA-N 1 2 346.435 0.510 20 30 ECEDLO CCc1noc(C[N@H+]2CC[C@@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)n1 ZINC001046011768 766636829 /nfs/dbraw/zinc/63/68/29/766636829.db2.gz HGIAHCNAHCGZSA-ZIAGYGMSSA-N 1 2 346.435 0.510 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2cnccn2)C[C@H]1OC ZINC001212262658 766692197 /nfs/dbraw/zinc/69/21/97/766692197.db2.gz UVPRXPHTYHTOBC-NUEKZKHPSA-N 1 2 332.404 0.393 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2cnccn2)C[C@H]1OC ZINC001212262658 766692199 /nfs/dbraw/zinc/69/21/99/766692199.db2.gz UVPRXPHTYHTOBC-NUEKZKHPSA-N 1 2 332.404 0.393 20 30 ECEDLO Cn1ncc(Cl)c1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046029727 766695771 /nfs/dbraw/zinc/69/57/71/766695771.db2.gz AGTIKVXKMIODGE-GFCCVEGCSA-N 1 2 336.827 0.429 20 30 ECEDLO Cn1nccc1CCC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046033472 766709849 /nfs/dbraw/zinc/70/98/49/766709849.db2.gz GHTJRSZMTQKNOY-MRXNPFEDSA-N 1 2 330.436 0.095 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+]([C@H]3CCN(C(C)(C)C)C3=O)C[C@@H]2O)C1 ZINC001083763340 766717585 /nfs/dbraw/zinc/71/75/85/766717585.db2.gz GGVDVAYRIVNSKA-ILXRZTDVSA-N 1 2 349.475 0.903 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(C(C)(C)C)C3=O)C[C@@H]2O)C1 ZINC001083763340 766717588 /nfs/dbraw/zinc/71/75/88/766717588.db2.gz GGVDVAYRIVNSKA-ILXRZTDVSA-N 1 2 349.475 0.903 20 30 ECEDLO CN(C(=O)Cn1cc[nH+]c1)C1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001016686288 766728531 /nfs/dbraw/zinc/72/85/31/766728531.db2.gz OZMHAXYJUBHZAV-UHFFFAOYSA-N 1 2 326.360 0.502 20 30 ECEDLO COCc1cncc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)c1 ZINC001046037324 766732779 /nfs/dbraw/zinc/73/27/79/766732779.db2.gz WJBSMQPEWMORKE-QGZVFWFLSA-N 1 2 343.431 0.584 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@H]3CCn4ccnc4C3)CC2)C1 ZINC001046040824 766749385 /nfs/dbraw/zinc/74/93/85/766749385.db2.gz LRWZBYYDRZBHJG-JKSUJKDBSA-N 1 2 342.447 0.188 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cn4cccnc4n3)CC2)C1 ZINC001046043102 766759074 /nfs/dbraw/zinc/75/90/74/766759074.db2.gz VLRVDILZKRSSRX-CQSZACIVSA-N 1 2 339.403 0.085 20 30 ECEDLO CC(C)n1cnc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)c1 ZINC001046048163 766780451 /nfs/dbraw/zinc/78/04/51/766780451.db2.gz RLBHLLORGRLICP-HNNXBMFYSA-N 1 2 330.436 0.820 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001016763988 766869294 /nfs/dbraw/zinc/86/92/94/766869294.db2.gz GFQWZRBUSKPJEF-GMEATFMZSA-N 1 2 346.431 0.659 20 30 ECEDLO Cn1cc(C(C)(C)C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)cn1 ZINC001046072749 766882717 /nfs/dbraw/zinc/88/27/17/766882717.db2.gz MIJLGSYNOJNXCH-MRXNPFEDSA-N 1 2 344.463 0.440 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCc3n[nH]cc31)CO2 ZINC001053802876 766888817 /nfs/dbraw/zinc/88/88/17/766888817.db2.gz GAMXDGNRWFKTCS-ZIAGYGMSSA-N 1 2 328.416 0.812 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N(CC)CC)nc2)C1 ZINC001078263326 782587850 /nfs/dbraw/zinc/58/78/50/782587850.db2.gz MDIQELRXLPDYCR-HZPDHXFCSA-N 1 2 330.432 0.726 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N(CC)CC)nc2)C1 ZINC001078263326 782587853 /nfs/dbraw/zinc/58/78/53/782587853.db2.gz MDIQELRXLPDYCR-HZPDHXFCSA-N 1 2 330.432 0.726 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@H]3CCc4n[nH]cc4C3)CC2)C1 ZINC001046077042 766906053 /nfs/dbraw/zinc/90/60/53/766906053.db2.gz RCLJFGOXHRMFAH-GOEBONIOSA-N 1 2 342.447 0.257 20 30 ECEDLO C[C@H](CC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1)N1CCCC1=O ZINC001046077220 766907009 /nfs/dbraw/zinc/90/70/09/766907009.db2.gz SQWXKZWTSLFZIY-HZPDHXFCSA-N 1 2 347.463 0.129 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cn(C)nc1C1CC1)CO2 ZINC001053815267 766914181 /nfs/dbraw/zinc/91/41/81/766914181.db2.gz JRENTRIUIJBXGR-AWEZNQCLSA-N 1 2 328.416 0.894 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c3c(nn1C)CCCC3)CO2 ZINC001053815781 766917014 /nfs/dbraw/zinc/91/70/14/766917014.db2.gz VVLZRORRRSRLTB-CQSZACIVSA-N 1 2 342.443 0.895 20 30 ECEDLO CC#CCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3[nH+]c(C)[nH]c3C1)CO2 ZINC001053851342 767021132 /nfs/dbraw/zinc/02/11/32/767021132.db2.gz QMCCLYMBBCZSMT-HUUCEWRRSA-N 1 2 342.443 0.806 20 30 ECEDLO CC#CCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3[nH]c(C)[nH+]c3C1)CO2 ZINC001053851342 767021143 /nfs/dbraw/zinc/02/11/43/767021143.db2.gz QMCCLYMBBCZSMT-HUUCEWRRSA-N 1 2 342.443 0.806 20 30 ECEDLO C=C(C)CN1CC2(C1)C[C@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)CO2 ZINC001053851741 767022370 /nfs/dbraw/zinc/02/23/70/767022370.db2.gz ZLIQFYXBKWHKSU-GJZGRUSLSA-N 1 2 330.432 0.981 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3cncn3C1)CO2 ZINC001053852483 767022893 /nfs/dbraw/zinc/02/28/93/767022893.db2.gz LZRSRDCAHZTVLH-CABCVRRESA-N 1 2 328.416 0.428 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(N(C)C)nc1)CO2 ZINC001053854931 767031789 /nfs/dbraw/zinc/03/17/89/767031789.db2.gz ALOUGMKDUOTUQW-OAHLLOKOSA-N 1 2 328.416 0.744 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)CO2 ZINC001053865386 767071396 /nfs/dbraw/zinc/07/13/96/767071396.db2.gz XYKAOFVLTSBREY-UONOGXRCSA-N 1 2 342.461 0.347 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)CO2 ZINC001053865411 767071459 /nfs/dbraw/zinc/07/14/59/767071459.db2.gz YGDXOEZNMPUJEU-ZIAGYGMSSA-N 1 2 336.436 0.313 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CCCC(=O)N3)C2)c(F)c1 ZINC001031754734 767155081 /nfs/dbraw/zinc/15/50/81/767155081.db2.gz NEKNWNSLXRKLIV-MRXNPFEDSA-N 1 2 344.390 0.914 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(C(F)(F)F)CCOCC2)[C@H](OC)C1 ZINC001212299807 767187753 /nfs/dbraw/zinc/18/77/53/767187753.db2.gz PVWULAXNVFPXHL-VXGBXAGGSA-N 1 2 334.338 0.794 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(C(F)(F)F)CCOCC2)[C@H](OC)C1 ZINC001212299807 767187755 /nfs/dbraw/zinc/18/77/55/767187755.db2.gz PVWULAXNVFPXHL-VXGBXAGGSA-N 1 2 334.338 0.794 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C2(C)CC2)[C@H](OC)C1 ZINC001212307278 767195457 /nfs/dbraw/zinc/19/54/57/767195457.db2.gz YVESJLIAKGWAIT-HUUCEWRRSA-N 1 2 335.448 0.803 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)C2(C)CC2)[C@H](OC)C1 ZINC001212307278 767195459 /nfs/dbraw/zinc/19/54/59/767195459.db2.gz YVESJLIAKGWAIT-HUUCEWRRSA-N 1 2 335.448 0.803 20 30 ECEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1OC ZINC001212318595 767206198 /nfs/dbraw/zinc/20/61/98/767206198.db2.gz CETOSBWYTVYUKP-HZPDHXFCSA-N 1 2 335.448 0.803 20 30 ECEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1OC ZINC001212318595 767206200 /nfs/dbraw/zinc/20/62/00/767206200.db2.gz CETOSBWYTVYUKP-HZPDHXFCSA-N 1 2 335.448 0.803 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3cnn(C)c3C1)CO2 ZINC001053907293 767324032 /nfs/dbraw/zinc/32/40/32/767324032.db2.gz SCYKMKPFRBTFHK-ZBFHGGJFSA-N 1 2 342.443 0.508 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001046585668 767335740 /nfs/dbraw/zinc/33/57/40/767335740.db2.gz IAXKWZJDFMZTEO-CABZTGNLSA-N 1 2 331.214 0.157 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001046585668 767335732 /nfs/dbraw/zinc/33/57/32/767335732.db2.gz IAXKWZJDFMZTEO-CABZTGNLSA-N 1 2 331.214 0.157 20 30 ECEDLO Cc1nc(NC[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)ccc1C#N ZINC001106157325 767420399 /nfs/dbraw/zinc/42/03/99/767420399.db2.gz CNTRCDUNTSJOQL-MGPQQGTHSA-N 1 2 340.387 0.678 20 30 ECEDLO Cc1nc(NC[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)ccc1C#N ZINC001106157325 767420405 /nfs/dbraw/zinc/42/04/05/767420405.db2.gz CNTRCDUNTSJOQL-MGPQQGTHSA-N 1 2 340.387 0.678 20 30 ECEDLO N#Cc1cnc(NC[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c(F)c1 ZINC001106158455 767424672 /nfs/dbraw/zinc/42/46/72/767424672.db2.gz TZMHGQUKCDAEGH-IJLUTSLNSA-N 1 2 344.350 0.508 20 30 ECEDLO N#Cc1cnc(NC[C@@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c(F)c1 ZINC001106158455 767424679 /nfs/dbraw/zinc/42/46/79/767424679.db2.gz TZMHGQUKCDAEGH-IJLUTSLNSA-N 1 2 344.350 0.508 20 30 ECEDLO Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC001106158691 767426135 /nfs/dbraw/zinc/42/61/35/767426135.db2.gz ZJXBQWZMIYIPCB-BFHYXJOUSA-N 1 2 340.387 0.678 20 30 ECEDLO Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1 ZINC001106158691 767426141 /nfs/dbraw/zinc/42/61/41/767426141.db2.gz ZJXBQWZMIYIPCB-BFHYXJOUSA-N 1 2 340.387 0.678 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2COC3(C[NH+](C[C@@H](C)OC)C3)C2)nn1 ZINC001053949204 767431937 /nfs/dbraw/zinc/43/19/37/767431937.db2.gz AKQMVOPTAVICHK-OLZOCXBDSA-N 1 2 335.408 0.072 20 30 ECEDLO C=CCn1cc(C(=O)N[C@]2(C)CC[N@@H+](Cc3cnc(C)cn3)C2)nn1 ZINC001046682094 767472315 /nfs/dbraw/zinc/47/23/15/767472315.db2.gz VUVGIBJOXSWGCN-QGZVFWFLSA-N 1 2 341.419 0.957 20 30 ECEDLO C=CCn1cc(C(=O)N[C@]2(C)CC[N@H+](Cc3cnc(C)cn3)C2)nn1 ZINC001046682094 767472320 /nfs/dbraw/zinc/47/23/20/767472320.db2.gz VUVGIBJOXSWGCN-QGZVFWFLSA-N 1 2 341.419 0.957 20 30 ECEDLO N#Cc1ccc(NC[C@H](O)CNC(=O)c2cc3c[nH+]ccc3[nH]2)nn1 ZINC001106175258 767489889 /nfs/dbraw/zinc/48/98/89/767489889.db2.gz WNPTZEHTAYCZOV-LBPRGKRZSA-N 1 2 337.343 0.427 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccn3c(=O)[nH]nc13)CO2 ZINC001053980640 767520941 /nfs/dbraw/zinc/52/09/41/767520941.db2.gz ANLTURRWHQIBHA-LBPRGKRZSA-N 1 2 341.371 0.031 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C(N)=O)cc1)CO2 ZINC001054004955 767573070 /nfs/dbraw/zinc/57/30/70/767573070.db2.gz BBLRHMMGCFDVEU-OAHLLOKOSA-N 1 2 329.400 0.935 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc3n[nH]nc3c1)CO2 ZINC001054005453 767574222 /nfs/dbraw/zinc/57/42/22/767574222.db2.gz JYKGIJQIUMPFMJ-CYBMUJFWSA-N 1 2 325.372 0.554 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C(N)=O)cs1)CO2 ZINC001054017979 767610688 /nfs/dbraw/zinc/61/06/88/767610688.db2.gz RCSRDSCYLMXPFW-LBPRGKRZSA-N 1 2 333.413 0.443 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1ccc(C(N)=O)cc1)CO2 ZINC001054020476 767613798 /nfs/dbraw/zinc/61/37/98/767613798.db2.gz NKSQSCQSQRLCSU-MRXNPFEDSA-N 1 2 343.427 0.864 20 30 ECEDLO Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001042037353 782651866 /nfs/dbraw/zinc/65/18/66/782651866.db2.gz LQKIAKYEPCDXGS-BXUZGUMPSA-N 1 2 325.376 0.494 20 30 ECEDLO C=CCOCC(=O)N1C[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001055248737 768706744 /nfs/dbraw/zinc/70/67/44/768706744.db2.gz YZEIHYOWXXAKCV-OKILXGFUSA-N 1 2 346.431 0.807 20 30 ECEDLO C[C@@H]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cn1cc[nH+]c1 ZINC001018091520 768710748 /nfs/dbraw/zinc/71/07/48/768710748.db2.gz HQPRRDFHRJHNDG-OCCSQVGLSA-N 1 2 340.387 0.892 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1CC[C@@H](n2cc(C[NH2+]CC#CC)nn2)C1 ZINC001098790472 768768619 /nfs/dbraw/zinc/76/86/19/768768619.db2.gz VCNAQZMUMMQPCG-GDBMZVCRSA-N 1 2 331.420 0.756 20 30 ECEDLO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@H]1C ZINC001106773731 768920427 /nfs/dbraw/zinc/92/04/27/768920427.db2.gz DZPVIVJEYRMIQI-CHWSQXEVSA-N 1 2 344.419 0.331 20 30 ECEDLO C[C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CN1C(=O)C#CC1CC1 ZINC001018276738 769019271 /nfs/dbraw/zinc/01/92/71/769019271.db2.gz PREFGZSTWHPLSR-ZFWWWQNUSA-N 1 2 328.416 0.872 20 30 ECEDLO C=CCCC(=O)NC1CC[NH+](CCNC(=O)Cc2n[nH]c(C)n2)CC1 ZINC001055575073 769158975 /nfs/dbraw/zinc/15/89/75/769158975.db2.gz KZYKEFSNRAVNLA-UHFFFAOYSA-N 1 2 348.451 0.319 20 30 ECEDLO N#Cc1nccc(N2C[C@@H]3CCC[C@]3(NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001055583799 769183435 /nfs/dbraw/zinc/18/34/35/769183435.db2.gz DWLIPJBWIJFBHJ-SJCJKPOMSA-N 1 2 337.387 0.789 20 30 ECEDLO C[C@@]12CN(C(=O)C#CC3CC3)C[C@@H]1CN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC000993490521 769205226 /nfs/dbraw/zinc/20/52/26/769205226.db2.gz HHZJBNVCQHKHSY-KDOFPFPSSA-N 1 2 326.400 0.673 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ncc[nH]3)C2)CC1 ZINC001018365819 769210760 /nfs/dbraw/zinc/21/07/60/769210760.db2.gz KIERDXUPUGOSNY-CQSZACIVSA-N 1 2 331.420 0.592 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NC1CC[NH+](CCNC(=O)c2cn[nH]n2)CC1 ZINC001055597451 769219297 /nfs/dbraw/zinc/21/92/97/769219297.db2.gz WFHCVFNUZWJURH-UHFFFAOYSA-N 1 2 348.451 0.717 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NC1CC[NH+](CCNC(=O)c2cnn[nH]2)CC1 ZINC001055597451 769219304 /nfs/dbraw/zinc/21/93/04/769219304.db2.gz WFHCVFNUZWJURH-UHFFFAOYSA-N 1 2 348.451 0.717 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3nc(C)c[nH]3)C2)CC1 ZINC001018376798 769247282 /nfs/dbraw/zinc/24/72/82/769247282.db2.gz YJGMHZSMTNKBBO-HNNXBMFYSA-N 1 2 345.447 0.901 20 30 ECEDLO O=C(C#CC1CC1)N1CC(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000993583236 769297464 /nfs/dbraw/zinc/29/74/64/769297464.db2.gz XDAPMGYLGVJYRG-UHFFFAOYSA-N 1 2 326.400 0.502 20 30 ECEDLO Cc1nccn1CC(=O)NC1CC[NH+](CCNC(=O)[C@H](C)C#N)CC1 ZINC001055631030 769302322 /nfs/dbraw/zinc/30/23/22/769302322.db2.gz CGQRBJFHZQDFHV-CYBMUJFWSA-N 1 2 346.435 0.048 20 30 ECEDLO COCCc1noc(C[NH2+][C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001018730458 769819249 /nfs/dbraw/zinc/81/92/49/769819249.db2.gz CFVIAKKNGSUJNG-LBPRGKRZSA-N 1 2 344.375 0.463 20 30 ECEDLO COCc1noc(C[NH2+][C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001018737567 769827981 /nfs/dbraw/zinc/82/79/81/769827981.db2.gz BSOMRZWSAXLKOV-NSHDSACASA-N 1 2 330.348 0.420 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)[C@@H]2C)cc1 ZINC000993932393 769849092 /nfs/dbraw/zinc/84/90/92/769849092.db2.gz HKMDTGQAPDWYRO-CZUORRHYSA-N 1 2 329.400 0.767 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)[C@@H]2C)cc1 ZINC000993932393 769849103 /nfs/dbraw/zinc/84/91/03/769849103.db2.gz HKMDTGQAPDWYRO-CZUORRHYSA-N 1 2 329.400 0.767 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cnnn3C)[C@H]2C)nn1 ZINC000993955201 769945484 /nfs/dbraw/zinc/94/54/84/769945484.db2.gz VDVGDUCREPBSBG-JSGCOSHPSA-N 1 2 344.423 0.376 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cnnn3C)[C@H]2C)nn1 ZINC000993955201 769945490 /nfs/dbraw/zinc/94/54/90/769945490.db2.gz VDVGDUCREPBSBG-JSGCOSHPSA-N 1 2 344.423 0.376 20 30 ECEDLO CC(C)C#CC(=O)N[C@@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001055930868 770261098 /nfs/dbraw/zinc/26/10/98/770261098.db2.gz AITFVLQETJKDMH-KRWDZBQOSA-N 1 2 332.404 0.081 20 30 ECEDLO CC(C)C#CC(=O)N[C@]1(CO)CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001055935564 770281946 /nfs/dbraw/zinc/28/19/46/770281946.db2.gz WSOWAXRKIHBGJS-GOSISDBHSA-N 1 2 346.431 0.402 20 30 ECEDLO N#Cc1cc(C(=O)N2CC3(C2)CCN(C(=O)Cn2cc[nH+]c2)C3)c[nH]1 ZINC001018957355 770387248 /nfs/dbraw/zinc/38/72/48/770387248.db2.gz KXDVTWJCDJSVSI-UHFFFAOYSA-N 1 2 338.371 0.458 20 30 ECEDLO CC(C)C#CC(=O)N1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001055998482 770502509 /nfs/dbraw/zinc/50/25/09/770502509.db2.gz RZHJGSVZYYYNPM-KRWDZBQOSA-N 1 2 332.404 0.012 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001019010212 770560869 /nfs/dbraw/zinc/56/08/69/770560869.db2.gz JAEZJNWYLRBLDI-UHFFFAOYSA-N 1 2 326.400 0.437 20 30 ECEDLO C#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001056032747 770621664 /nfs/dbraw/zinc/62/16/64/770621664.db2.gz QUMJWIMAIMQDJU-GOSISDBHSA-N 1 2 346.431 0.534 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001019134499 770891910 /nfs/dbraw/zinc/89/19/10/770891910.db2.gz NNZMANCTRRUIHI-ZIAGYGMSSA-N 1 2 341.415 0.666 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H]1C ZINC000994487846 770892528 /nfs/dbraw/zinc/89/25/28/770892528.db2.gz PQUFYKXPDSXFSE-QWRGUYRKSA-N 1 2 340.815 0.099 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H]1C ZINC000994487846 770892539 /nfs/dbraw/zinc/89/25/39/770892539.db2.gz PQUFYKXPDSXFSE-QWRGUYRKSA-N 1 2 340.815 0.099 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001019238013 771042786 /nfs/dbraw/zinc/04/27/86/771042786.db2.gz IURZGBBLXJQPJZ-LBPRGKRZSA-N 1 2 329.404 0.925 20 30 ECEDLO C=CCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001056289114 771083524 /nfs/dbraw/zinc/08/35/24/771083524.db2.gz CTIULFDQEJZVNE-OWCLPIDISA-N 1 2 335.448 0.875 20 30 ECEDLO C=CCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001056289114 771083529 /nfs/dbraw/zinc/08/35/29/771083529.db2.gz CTIULFDQEJZVNE-OWCLPIDISA-N 1 2 335.448 0.875 20 30 ECEDLO N#Cc1cnccc1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001056329914 771135296 /nfs/dbraw/zinc/13/52/96/771135296.db2.gz FTXRMIANYFNTPF-CTNYNGJSSA-N 1 2 348.410 0.963 20 30 ECEDLO COc1ccc(C#N)cc1CN1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001031476536 771143253 /nfs/dbraw/zinc/14/32/53/771143253.db2.gz TZNXNSNJDMSBLB-UHFFFAOYSA-N 1 2 325.372 0.764 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056381069 771204784 /nfs/dbraw/zinc/20/47/84/771204784.db2.gz VCMAMOFTIXIIBM-DEYYWGMASA-N 1 2 346.431 0.871 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001056456995 771288661 /nfs/dbraw/zinc/28/86/61/771288661.db2.gz WZSCSVUNHLLVAU-HUUCEWRRSA-N 1 2 332.404 0.678 20 30 ECEDLO N#Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)c[nH]1 ZINC000994604138 771291480 /nfs/dbraw/zinc/29/14/80/771291480.db2.gz DREQHNREKFUORH-LLVKDONJSA-N 1 2 338.371 0.286 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001056480221 771320621 /nfs/dbraw/zinc/32/06/21/771320621.db2.gz YCNDIRDZAYXNKU-HZPDHXFCSA-N 1 2 346.431 0.757 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nnc(CC)o3)C2)nn1 ZINC001019483376 771346620 /nfs/dbraw/zinc/34/66/20/771346620.db2.gz PJVKRUPXWPKQLL-NSHDSACASA-N 1 2 331.380 0.414 20 30 ECEDLO N#CCSCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056527499 771355303 /nfs/dbraw/zinc/35/53/03/771355303.db2.gz RZWKXBYZWPFRJN-QWHCGFSZSA-N 1 2 347.444 0.801 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060732631 771358586 /nfs/dbraw/zinc/35/85/86/771358586.db2.gz PFYYRLCFUUDDCB-SHTZXODSSA-N 1 2 346.431 0.783 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056572143 771392837 /nfs/dbraw/zinc/39/28/37/771392837.db2.gz GDHVYYWUZFBZGM-GJZGRUSLSA-N 1 2 332.404 0.747 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056574803 771395986 /nfs/dbraw/zinc/39/59/86/771395986.db2.gz NPLDCHOCKKKTHA-JKSUJKDBSA-N 1 2 344.415 0.584 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056574800 771396210 /nfs/dbraw/zinc/39/62/10/771396210.db2.gz NPLDCHOCKKKTHA-CVEARBPZSA-N 1 2 344.415 0.584 20 30 ECEDLO N#Cc1ccc(N2CCCO[C@H](CNC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001089543108 771433440 /nfs/dbraw/zinc/43/34/40/771433440.db2.gz FKEUJPMHKKTABR-MRXNPFEDSA-N 1 2 340.387 0.561 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CN(c2cc[nH+]c(C)n2)CCCO1 ZINC001089546842 771444060 /nfs/dbraw/zinc/44/40/60/771444060.db2.gz MUCNAYKFRWVRLR-ZFWWWQNUSA-N 1 2 332.404 0.535 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1C[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001056707752 771538430 /nfs/dbraw/zinc/53/84/30/771538430.db2.gz WCHZUJUCQDVCOS-PMUMKWKESA-N 1 2 346.431 0.729 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C#CC3CC3)[C@H](OC)C2)C1=O ZINC001212246280 771551549 /nfs/dbraw/zinc/55/15/49/771551549.db2.gz PQHBDWCCFLKZQQ-BZUAXINKSA-N 1 2 331.416 0.002 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C#CC3CC3)[C@H](OC)C2)C1=O ZINC001212246280 771551556 /nfs/dbraw/zinc/55/15/56/771551556.db2.gz PQHBDWCCFLKZQQ-BZUAXINKSA-N 1 2 331.416 0.002 20 30 ECEDLO CC(=O)N1CC(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)C1 ZINC001031636753 771560839 /nfs/dbraw/zinc/56/08/39/771560839.db2.gz LBZMBLCONJPJQI-UHFFFAOYSA-N 1 2 343.402 0.704 20 30 ECEDLO CN(c1ccc(C#N)nn1)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001056907182 771791923 /nfs/dbraw/zinc/79/19/23/771791923.db2.gz ZWGMGRZGJBJCKX-ZDUSSCGKSA-N 1 2 325.376 0.741 20 30 ECEDLO O=C(C#CC1CC1)N1CCO[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC001019913854 772017226 /nfs/dbraw/zinc/01/72/26/772017226.db2.gz MEIBCGUUEKEBJH-LSDHHAIUSA-N 1 2 342.399 0.194 20 30 ECEDLO C=CCCC(=O)N(CCO)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001057174883 772216187 /nfs/dbraw/zinc/21/61/87/772216187.db2.gz MEMZFENIDNIIAV-UHFFFAOYSA-N 1 2 336.436 0.830 20 30 ECEDLO N#Cc1nccnc1N1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001057250074 772341525 /nfs/dbraw/zinc/34/15/25/772341525.db2.gz ODKMQJIBCPIDRD-UHFFFAOYSA-N 1 2 325.376 0.743 20 30 ECEDLO N#Cc1nccnc1N1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001057250074 772341531 /nfs/dbraw/zinc/34/15/31/772341531.db2.gz ODKMQJIBCPIDRD-UHFFFAOYSA-N 1 2 325.376 0.743 20 30 ECEDLO C=CCC(CC=C)C(=O)N(CCO)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001057681743 772908236 /nfs/dbraw/zinc/90/82/36/772908236.db2.gz VXONXONGSZXHLU-UHFFFAOYSA-N 1 2 348.447 0.966 20 30 ECEDLO CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001057941431 773232040 /nfs/dbraw/zinc/23/20/40/773232040.db2.gz SQZWPEMQCZHSTH-HNNXBMFYSA-N 1 2 346.431 0.042 20 30 ECEDLO C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001057941521 773233130 /nfs/dbraw/zinc/23/31/30/773233130.db2.gz WYWWKYWVLRPGGJ-HNNXBMFYSA-N 1 2 348.447 0.739 20 30 ECEDLO C=CCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001057947460 773252678 /nfs/dbraw/zinc/25/26/78/773252678.db2.gz ZBWSSMJUPZEKON-CQSZACIVSA-N 1 2 334.420 0.349 20 30 ECEDLO N#Cc1cncc(N2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)n1 ZINC001057971262 773312631 /nfs/dbraw/zinc/31/26/31/773312631.db2.gz ADKOUEROLWIGKX-ZIAGYGMSSA-N 1 2 337.387 0.960 20 30 ECEDLO N#Cc1cncc(N2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)n1 ZINC001057971262 773312639 /nfs/dbraw/zinc/31/26/39/773312639.db2.gz ADKOUEROLWIGKX-ZIAGYGMSSA-N 1 2 337.387 0.960 20 30 ECEDLO CC#CCCCC(=O)NCCN(CCO)C(=O)CCCn1cc[nH+]c1 ZINC001057983927 773337941 /nfs/dbraw/zinc/33/79/41/773337941.db2.gz CIWAURYQTPINNH-UHFFFAOYSA-N 1 2 348.447 0.794 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)Cc1c[nH+]cn1C ZINC001058159725 773664724 /nfs/dbraw/zinc/66/47/24/773664724.db2.gz VECUOAYHFXTSDB-CQSZACIVSA-N 1 2 336.436 0.502 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)Cc1[nH]c[nH+]c1C ZINC001058263487 773874682 /nfs/dbraw/zinc/87/46/82/773874682.db2.gz MIROCDKCGTXSKU-UHFFFAOYSA-N 1 2 336.436 0.800 20 30 ECEDLO C#Cc1ccc(C(=O)N(CCO)CCNC(=O)Cn2cc[nH+]c2)cc1 ZINC001058278433 773907914 /nfs/dbraw/zinc/90/79/14/773907914.db2.gz OHUBGCQMXUEDEL-UHFFFAOYSA-N 1 2 340.383 0.115 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001040634408 783143975 /nfs/dbraw/zinc/14/39/75/783143975.db2.gz ZIALEEKEEWHRHZ-SUMWQHHRSA-N 1 2 334.420 0.634 20 30 ECEDLO C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001039830428 783167761 /nfs/dbraw/zinc/16/77/61/783167761.db2.gz GYJXLMUWMOICCN-CXAGYDPISA-N 1 2 334.420 0.634 20 30 ECEDLO C=CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001039830428 783167768 /nfs/dbraw/zinc/16/77/68/783167768.db2.gz GYJXLMUWMOICCN-CXAGYDPISA-N 1 2 334.420 0.634 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)nn1 ZINC001058541845 774394750 /nfs/dbraw/zinc/39/47/50/774394750.db2.gz VFNVBMPKIKQSMD-CHWSQXEVSA-N 1 2 337.387 0.886 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(c2[nH+]cnc3c2cnn3C)C1 ZINC001058548334 774412721 /nfs/dbraw/zinc/41/27/21/774412721.db2.gz MKCKAJOQTITMSX-BZPMIXESSA-N 1 2 342.403 0.649 20 30 ECEDLO C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CNc1ccnc(C#N)n1 ZINC001039876228 783217183 /nfs/dbraw/zinc/21/71/83/783217183.db2.gz WUYWAMUYBHJXFQ-CHWSQXEVSA-N 1 2 339.403 0.632 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(Cl)[nH]2)[C@@H](n2ccnn2)C1 ZINC001070018373 790344225 /nfs/dbraw/zinc/34/42/25/790344225.db2.gz GCCFACZWMNSSTD-OLZOCXBDSA-N 1 2 332.795 0.938 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(Cl)[nH]2)[C@@H](n2ccnn2)C1 ZINC001070018373 790344234 /nfs/dbraw/zinc/34/42/34/790344234.db2.gz GCCFACZWMNSSTD-OLZOCXBDSA-N 1 2 332.795 0.938 20 30 ECEDLO C=CCn1cc(C(=O)N(C)C2C[NH+](CCc3ccnn3C)C2)nn1 ZINC001044021480 775533503 /nfs/dbraw/zinc/53/35/03/775533503.db2.gz UROXXKIFCHRYFD-UHFFFAOYSA-N 1 2 329.408 0.197 20 30 ECEDLO Cn1cnnc1C[NH+]1CCC(C)(NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001045411390 775556727 /nfs/dbraw/zinc/55/67/27/775556727.db2.gz CWCBZUIAYJFDSF-UHFFFAOYSA-N 1 2 327.392 0.799 20 30 ECEDLO CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001044138105 775770586 /nfs/dbraw/zinc/77/05/86/775770586.db2.gz XPDBUVYSODXCJN-UHFFFAOYSA-N 1 2 332.404 0.012 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCC(C)(NC(=O)c3ncn[nH]3)CC2)C1=O ZINC001045592343 775854635 /nfs/dbraw/zinc/85/46/35/775854635.db2.gz VQQWKJIAYPWSMX-GFCCVEGCSA-N 1 2 332.408 0.176 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCC(C)(NC(=O)c3nc[nH]n3)CC2)C1=O ZINC001045592343 775854640 /nfs/dbraw/zinc/85/46/40/775854640.db2.gz VQQWKJIAYPWSMX-GFCCVEGCSA-N 1 2 332.408 0.176 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H](CNc2cnc(C#N)cn2)C1 ZINC001068506288 790435086 /nfs/dbraw/zinc/43/50/86/790435086.db2.gz GNGKMYUKYOAUDV-HAQNSBGRSA-N 1 2 325.376 0.631 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccn(CC)n2)[C@@H](n2ccnn2)C1 ZINC001070046861 790442543 /nfs/dbraw/zinc/44/25/43/790442543.db2.gz SJIGWSNZSPLNQY-CABCVRRESA-N 1 2 327.392 0.173 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC)n2)[C@@H](n2ccnn2)C1 ZINC001070046861 790442552 /nfs/dbraw/zinc/44/25/52/790442552.db2.gz SJIGWSNZSPLNQY-CABCVRRESA-N 1 2 327.392 0.173 20 30 ECEDLO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001044478625 776341070 /nfs/dbraw/zinc/34/10/70/776341070.db2.gz JKZZUWWFVMVJOG-ZDUSSCGKSA-N 1 2 334.420 0.736 20 30 ECEDLO CCN(C(=O)CCc1[nH]cc[nH+]1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001079691730 776697557 /nfs/dbraw/zinc/69/75/57/776697557.db2.gz WTHKCRYFXLPOPC-UHFFFAOYSA-N 1 2 340.387 0.915 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001079854805 776983558 /nfs/dbraw/zinc/98/35/58/776983558.db2.gz DGVQHEMDRIEDJZ-UONOGXRCSA-N 1 2 346.431 0.686 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001079854805 776983565 /nfs/dbraw/zinc/98/35/65/776983565.db2.gz DGVQHEMDRIEDJZ-UONOGXRCSA-N 1 2 346.431 0.686 20 30 ECEDLO C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001079855350 776985471 /nfs/dbraw/zinc/98/54/71/776985471.db2.gz WHXQMXNQGMWMOY-CQSZACIVSA-N 1 2 346.431 0.688 20 30 ECEDLO C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001079855350 776985474 /nfs/dbraw/zinc/98/54/74/776985474.db2.gz WHXQMXNQGMWMOY-CQSZACIVSA-N 1 2 346.431 0.688 20 30 ECEDLO CCN(C(=O)[C@H](c1cccnc1)[NH+](C)C)C1CN(C(=O)[C@@H](C)C#N)C1 ZINC001079938915 777114119 /nfs/dbraw/zinc/11/41/19/777114119.db2.gz YRXBRNJSPLPZFF-BBRMVZONSA-N 1 2 343.431 0.903 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001080014511 777232959 /nfs/dbraw/zinc/23/29/59/777232959.db2.gz WIVLQEVPNPYJFJ-LBTNJELSSA-N 1 2 346.431 0.900 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001080014511 777232967 /nfs/dbraw/zinc/23/29/67/777232967.db2.gz WIVLQEVPNPYJFJ-LBTNJELSSA-N 1 2 346.431 0.900 20 30 ECEDLO C=CCCOCC(=O)N1CC(N(CC)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001080199646 777543418 /nfs/dbraw/zinc/54/34/18/777543418.db2.gz JTUVVCJDTDGTFW-UHFFFAOYSA-N 1 2 334.420 0.913 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)CCc2c[nH+]cn2C)C1 ZINC001080246940 777605369 /nfs/dbraw/zinc/60/53/69/777605369.db2.gz RQJUVULZHKWVCR-SFHVURJKSA-N 1 2 348.447 0.739 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](Nc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001043096400 777719132 /nfs/dbraw/zinc/71/91/32/777719132.db2.gz YXXVPOFKCSLGBR-YWPYICTPSA-N 1 2 328.420 0.883 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](Nc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001043096400 777719138 /nfs/dbraw/zinc/71/91/38/777719138.db2.gz YXXVPOFKCSLGBR-YWPYICTPSA-N 1 2 328.420 0.883 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(CC)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001080352589 777737422 /nfs/dbraw/zinc/73/74/22/777737422.db2.gz OUKZSYYFIOYMGM-KGLIPLIRSA-N 1 2 332.404 0.603 20 30 ECEDLO C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001043319619 778152237 /nfs/dbraw/zinc/15/22/37/778152237.db2.gz HYVSESCDGMYFMJ-CQSZACIVSA-N 1 2 346.431 0.491 20 30 ECEDLO C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001043320329 778152913 /nfs/dbraw/zinc/15/29/13/778152913.db2.gz QRRQQZOXVWPYIE-AWEZNQCLSA-N 1 2 346.431 0.491 20 30 ECEDLO C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001043427374 778310040 /nfs/dbraw/zinc/31/00/40/778310040.db2.gz SXYWWDDIQSCMGN-SJORKVTESA-N 1 2 337.464 0.585 20 30 ECEDLO CC(C)C#CC(=O)NC1(CNC(=O)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001070108804 790631706 /nfs/dbraw/zinc/63/17/06/790631706.db2.gz QPTWLQDXJJFYAP-UHFFFAOYSA-N 1 2 332.404 0.393 20 30 ECEDLO C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001043611115 778589052 /nfs/dbraw/zinc/58/90/52/778589052.db2.gz NDWUBKXSQZNCJM-AWEZNQCLSA-N 1 2 346.431 0.491 20 30 ECEDLO C=CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001043623424 778613340 /nfs/dbraw/zinc/61/33/40/778613340.db2.gz NCBDLOZTUVTRMH-ZDUSSCGKSA-N 1 2 332.404 0.101 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1Nc1cnc(C#N)cn1 ZINC001043645016 778657664 /nfs/dbraw/zinc/65/76/64/778657664.db2.gz KNODXTJMAXIAGB-TZMCWYRMSA-N 1 2 339.403 0.973 20 30 ECEDLO C=CCCC(=O)N1CC(O)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001043670129 778692683 /nfs/dbraw/zinc/69/26/83/778692683.db2.gz JSQLUJJCLLOOPI-UHFFFAOYSA-N 1 2 334.420 0.582 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001043672400 778697099 /nfs/dbraw/zinc/69/70/99/778697099.db2.gz UBLITEQQVXNPSD-CHWSQXEVSA-N 1 2 346.431 0.805 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001043672400 778697102 /nfs/dbraw/zinc/69/71/02/778697102.db2.gz UBLITEQQVXNPSD-CHWSQXEVSA-N 1 2 346.431 0.805 20 30 ECEDLO C[C@@H](C#N)C(=O)NCC1(NC(=O)C[C@H](C)n2cc[nH+]c2)CCOCC1 ZINC001070120024 790673649 /nfs/dbraw/zinc/67/36/49/790673649.db2.gz VBIARBBHXMUUOT-KBPBESRZSA-N 1 2 347.419 0.775 20 30 ECEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)O1 ZINC001068620766 790730534 /nfs/dbraw/zinc/73/05/34/790730534.db2.gz RGFCESUTWSGWOS-OCCSQVGLSA-N 1 2 345.403 0.378 20 30 ECEDLO C[C@H](C#N)C(=O)NC[C@@H]1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)O1 ZINC001068620766 790730542 /nfs/dbraw/zinc/73/05/42/790730542.db2.gz RGFCESUTWSGWOS-OCCSQVGLSA-N 1 2 345.403 0.378 20 30 ECEDLO Cn1nnc(C[NH2+][C@@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C23CCC3)n1 ZINC001078595841 780189023 /nfs/dbraw/zinc/18/90/23/780189023.db2.gz CPPJXQFVTBTJHZ-OLZOCXBDSA-N 1 2 340.391 0.241 20 30 ECEDLO C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCOCC1 ZINC001070156878 790776601 /nfs/dbraw/zinc/77/66/01/790776601.db2.gz ZBAFSVMQVXTSRK-YNEHKIRRSA-N 1 2 345.403 0.454 20 30 ECEDLO C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCOCC1 ZINC001070156878 790776606 /nfs/dbraw/zinc/77/66/06/790776606.db2.gz ZBAFSVMQVXTSRK-YNEHKIRRSA-N 1 2 345.403 0.454 20 30 ECEDLO C=CCCC(=O)N1CC2(C1)CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)O2 ZINC001068639865 790772668 /nfs/dbraw/zinc/77/26/68/790772668.db2.gz GSQDXDMYHWZEPC-CQSZACIVSA-N 1 2 332.404 0.795 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1C[NH+](C[C@H]2CCc3ncnn32)C1 ZINC001042743598 780729830 /nfs/dbraw/zinc/72/98/30/780729830.db2.gz XAHLOYGRWSNAQW-BMFZPTHFSA-N 1 2 345.447 0.889 20 30 ECEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2n[nH]cc2F)C1 ZINC001079142703 780808645 /nfs/dbraw/zinc/80/86/45/780808645.db2.gz PUUQBQSYKSUDKQ-HZPDHXFCSA-N 1 2 342.374 0.870 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2n[nH]cc2F)C1 ZINC001079142703 780808653 /nfs/dbraw/zinc/80/86/53/780808653.db2.gz PUUQBQSYKSUDKQ-HZPDHXFCSA-N 1 2 342.374 0.870 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnn(C)n2)C1 ZINC001079146146 780812969 /nfs/dbraw/zinc/81/29/69/780812969.db2.gz VRXMOABLZDOEHP-IAGOWNOFSA-N 1 2 339.399 0.136 20 30 ECEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnn(C)n2)C1 ZINC001079146146 780812980 /nfs/dbraw/zinc/81/29/80/780812980.db2.gz VRXMOABLZDOEHP-IAGOWNOFSA-N 1 2 339.399 0.136 20 30 ECEDLO CCN(C(=O)CSCC#N)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001079342179 781005699 /nfs/dbraw/zinc/00/56/99/781005699.db2.gz CPTOQLGLINBZBA-CHWSQXEVSA-N 1 2 347.444 0.829 20 30 ECEDLO CCN(C(=O)CSCC#N)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001079342179 781005705 /nfs/dbraw/zinc/00/57/05/781005705.db2.gz CPTOQLGLINBZBA-CHWSQXEVSA-N 1 2 347.444 0.829 20 30 ECEDLO CC(C)(C)C#CC(=O)NCC1(O)CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001042966103 781111315 /nfs/dbraw/zinc/11/13/15/781111315.db2.gz NPZBRVNPDVIMRM-UHFFFAOYSA-N 1 2 332.404 0.081 20 30 ECEDLO C=CCOCC(=O)N(CC)C1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001079492714 781179689 /nfs/dbraw/zinc/17/96/89/781179689.db2.gz JDNVGDQFVOJUTB-AWEZNQCLSA-N 1 2 346.431 0.707 20 30 ECEDLO C[C@@H](CC(=O)NCC1(O)CN(C(=O)C#CC(C)(C)C)C1)n1cc[nH+]c1 ZINC001043077557 781284658 /nfs/dbraw/zinc/28/46/58/781284658.db2.gz PNFMEKFVGMVIFB-AWEZNQCLSA-N 1 2 346.431 0.573 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C)CC(=C)C3)C2)C1=O ZINC001077642035 781410268 /nfs/dbraw/zinc/41/02/68/781410268.db2.gz TULHQCOBLLGUPW-RBSFLKMASA-N 1 2 333.432 0.291 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C)CC(=C)C3)C2)C1=O ZINC001077642035 781410277 /nfs/dbraw/zinc/41/02/77/781410277.db2.gz TULHQCOBLLGUPW-RBSFLKMASA-N 1 2 333.432 0.291 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CNC(C)=O)s2)C1 ZINC001077743757 781632668 /nfs/dbraw/zinc/63/26/68/781632668.db2.gz NFZFIUHUEKBUQZ-ZIAGYGMSSA-N 1 2 335.429 0.182 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CNC(C)=O)s2)C1 ZINC001077743757 781632675 /nfs/dbraw/zinc/63/26/75/781632675.db2.gz NFZFIUHUEKBUQZ-ZIAGYGMSSA-N 1 2 335.429 0.182 20 30 ECEDLO N#Cc1ccc(NC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CCCO2)nc1 ZINC001041509979 781667089 /nfs/dbraw/zinc/66/70/89/781667089.db2.gz GIPIHZZEQCSITD-AWEZNQCLSA-N 1 2 340.387 0.948 20 30 ECEDLO C=CCCOCC(=O)N[C@@H](C)CCNC(=O)CCc1[nH+]ccn1C ZINC001077793131 781706989 /nfs/dbraw/zinc/70/69/89/781706989.db2.gz SEILZQMCQBKSPY-AWEZNQCLSA-N 1 2 336.436 0.956 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]2O)nn1 ZINC001077812576 781740854 /nfs/dbraw/zinc/74/08/54/781740854.db2.gz KKECYJMTNMRVOC-GDBMZVCRSA-N 1 2 342.403 0.224 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccnc3)C[C@H]2O)nn1 ZINC001077812576 781740861 /nfs/dbraw/zinc/74/08/61/781740861.db2.gz KKECYJMTNMRVOC-GDBMZVCRSA-N 1 2 342.403 0.224 20 30 ECEDLO N#Cc1nccc(N[C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C23CCC3)n1 ZINC001041596737 781819923 /nfs/dbraw/zinc/81/99/23/781819923.db2.gz COBXFDSYQNJYMN-RYUDHWBXSA-N 1 2 337.387 0.575 20 30 ECEDLO N#Cc1nccc(N[C@@H]2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C23CCC3)n1 ZINC001041621140 781870626 /nfs/dbraw/zinc/87/06/26/781870626.db2.gz QFHFJDOJLLLWTG-CHWSQXEVSA-N 1 2 337.387 0.575 20 30 ECEDLO C=C1CCC(C(=O)N2CC[C@](O)(CNC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001040692806 783276256 /nfs/dbraw/zinc/27/62/56/783276256.db2.gz AKCKCFNLSHUZDZ-SFHVURJKSA-N 1 2 346.431 0.778 20 30 ECEDLO Cc1cc(C)c(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H](C)C#N)C2)c(C)[nH+]1 ZINC001040760723 783379479 /nfs/dbraw/zinc/37/94/79/783379479.db2.gz PUKUNHZBCYVVNP-KPZWWZAWSA-N 1 2 344.415 0.860 20 30 ECEDLO C[C@H]1[C@@H](Nc2ncc(C#N)cc2F)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001040070177 783481815 /nfs/dbraw/zinc/48/18/15/783481815.db2.gz GVGUJEZPACICIA-CQDKDKBSSA-N 1 2 347.394 0.824 20 30 ECEDLO C[C@H]1[C@@H](Nc2ncc(C#N)cc2F)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001040070177 783481821 /nfs/dbraw/zinc/48/18/21/783481821.db2.gz GVGUJEZPACICIA-CQDKDKBSSA-N 1 2 347.394 0.824 20 30 ECEDLO C[C@H]1[C@@H](Nc2ccc(C#N)nc2)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001040071267 783483639 /nfs/dbraw/zinc/48/36/39/783483639.db2.gz VQMKUKJISLLERT-VBNZEHGJSA-N 1 2 329.404 0.685 20 30 ECEDLO C[C@H]1[C@@H](Nc2ccc(C#N)nc2)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001040071267 783483645 /nfs/dbraw/zinc/48/36/45/783483645.db2.gz VQMKUKJISLLERT-VBNZEHGJSA-N 1 2 329.404 0.685 20 30 ECEDLO CC#CCCCC(=O)NC1(CNC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001070205267 783653705 /nfs/dbraw/zinc/65/37/05/783653705.db2.gz IEGYBCKDWAFNTJ-UHFFFAOYSA-N 1 2 346.431 0.927 20 30 ECEDLO C[C@H](C#N)C(=O)NC1(CNC(=O)C[C@H](C)n2cc[nH+]c2)CCOCC1 ZINC001070232730 783708929 /nfs/dbraw/zinc/70/89/29/783708929.db2.gz PXMUIUGTGUWPAK-KGLIPLIRSA-N 1 2 347.419 0.775 20 30 ECEDLO C=C(Cl)CN[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1n1ccnn1 ZINC001070234862 783714256 /nfs/dbraw/zinc/71/42/56/783714256.db2.gz LIVSIQCDVDELEA-KGLIPLIRSA-N 1 2 349.826 0.577 20 30 ECEDLO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2cncc2C)C[C@@H]1n1ccnn1 ZINC001070234862 783714261 /nfs/dbraw/zinc/71/42/61/783714261.db2.gz LIVSIQCDVDELEA-KGLIPLIRSA-N 1 2 349.826 0.577 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)c2cnn(CC)c2)C1=O ZINC001038125990 783887331 /nfs/dbraw/zinc/88/73/31/783887331.db2.gz IASKCZBSTWSZFY-LSDHHAIUSA-N 1 2 331.420 0.494 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)c2cnn(CC)c2)C1=O ZINC001038125990 783887335 /nfs/dbraw/zinc/88/73/35/783887335.db2.gz IASKCZBSTWSZFY-LSDHHAIUSA-N 1 2 331.420 0.494 20 30 ECEDLO CC(C)N1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001038146269 783916904 /nfs/dbraw/zinc/91/69/04/783916904.db2.gz QPKQNAGIOVGOJL-DZGCQCFKSA-N 1 2 329.404 0.700 20 30 ECEDLO CC(C)N1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001038146269 783916911 /nfs/dbraw/zinc/91/69/11/783916911.db2.gz QPKQNAGIOVGOJL-DZGCQCFKSA-N 1 2 329.404 0.700 20 30 ECEDLO CC#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001070422901 784035792 /nfs/dbraw/zinc/03/57/92/784035792.db2.gz KZXGWAHGXQGEGU-LBPRGKRZSA-N 1 2 342.403 0.591 20 30 ECEDLO CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001070422901 784035802 /nfs/dbraw/zinc/03/58/02/784035802.db2.gz KZXGWAHGXQGEGU-LBPRGKRZSA-N 1 2 342.403 0.591 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCOC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070440110 784076968 /nfs/dbraw/zinc/07/69/68/784076968.db2.gz BHAGJKZDMBZHPM-LSDHHAIUSA-N 1 2 343.431 0.401 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC(=O)N(C)C1CC1 ZINC001038259831 784077057 /nfs/dbraw/zinc/07/70/57/784077057.db2.gz JXPFPWBRNLNXHN-OAGGEKHMSA-N 1 2 335.448 0.779 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC(=O)N(C)C1CC1 ZINC001038259831 784077061 /nfs/dbraw/zinc/07/70/61/784077061.db2.gz JXPFPWBRNLNXHN-OAGGEKHMSA-N 1 2 335.448 0.779 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)Cc1ccon1)C[C@H]2c1nnc(C)[nH]1 ZINC001070442809 784087774 /nfs/dbraw/zinc/08/77/74/784087774.db2.gz PRJPUVOAQMJWHP-AWEZNQCLSA-N 1 2 340.387 0.205 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)Cc2ccon2)C1 ZINC001070907287 784093397 /nfs/dbraw/zinc/09/33/97/784093397.db2.gz OWKMJZNFYZRQRN-ZNMIVQPWSA-N 1 2 346.387 0.509 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)Cc2ccon2)C1 ZINC001070907287 784093406 /nfs/dbraw/zinc/09/34/06/784093406.db2.gz OWKMJZNFYZRQRN-ZNMIVQPWSA-N 1 2 346.387 0.509 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1ccsn1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070446007 784099066 /nfs/dbraw/zinc/09/90/66/784099066.db2.gz PKYVPPIFJPIGGP-GFCCVEGCSA-N 1 2 342.428 0.744 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)Cc2cnoc2)C1 ZINC001070917719 784110812 /nfs/dbraw/zinc/11/08/12/784110812.db2.gz IFACEIBSZBIEAB-ZNMIVQPWSA-N 1 2 346.387 0.509 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)Cc2cnoc2)C1 ZINC001070917719 784110819 /nfs/dbraw/zinc/11/08/19/784110819.db2.gz IFACEIBSZBIEAB-ZNMIVQPWSA-N 1 2 346.387 0.509 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccncn2)C1 ZINC001070920997 784117621 /nfs/dbraw/zinc/11/76/21/784117621.db2.gz KKBCBGCJPXMANN-CFVMTHIKSA-N 1 2 343.387 0.382 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccncn2)C1 ZINC001070920997 784117629 /nfs/dbraw/zinc/11/76/29/784117629.db2.gz KKBCBGCJPXMANN-CFVMTHIKSA-N 1 2 343.387 0.382 20 30 ECEDLO C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)c2cnns2)CC1 ZINC001070941980 784178062 /nfs/dbraw/zinc/17/80/62/784178062.db2.gz LCPMLNBUUZOJTI-UHFFFAOYSA-N 1 2 337.449 0.768 20 30 ECEDLO C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)c2cnns2)CC1 ZINC001070941980 784178069 /nfs/dbraw/zinc/17/80/69/784178069.db2.gz LCPMLNBUUZOJTI-UHFFFAOYSA-N 1 2 337.449 0.768 20 30 ECEDLO Cn1cnc([C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2NCC#N)c1 ZINC001070518363 784221051 /nfs/dbraw/zinc/22/10/51/784221051.db2.gz VXGPYLDGGKZZSG-DZGCQCFKSA-N 1 2 327.392 0.114 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)Cn2nc(C)cc2C)CC1 ZINC001070979021 784301135 /nfs/dbraw/zinc/30/11/35/784301135.db2.gz OLDGCXFKFJPQLL-UHFFFAOYSA-N 1 2 347.463 0.727 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)Cn2nc(C)cc2C)CC1 ZINC001070979021 784301141 /nfs/dbraw/zinc/30/11/41/784301141.db2.gz OLDGCXFKFJPQLL-UHFFFAOYSA-N 1 2 347.463 0.727 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(OC)n(C)n2)CC1 ZINC001070979148 784302799 /nfs/dbraw/zinc/30/27/99/784302799.db2.gz VMXKXFSYJUTQBW-UHFFFAOYSA-N 1 2 349.435 0.269 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2cc(OC)n(C)n2)CC1 ZINC001070979148 784302805 /nfs/dbraw/zinc/30/28/05/784302805.db2.gz VMXKXFSYJUTQBW-UHFFFAOYSA-N 1 2 349.435 0.269 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@]2(F)CCOC2)CC1 ZINC001070990905 784340821 /nfs/dbraw/zinc/34/08/21/784340821.db2.gz BDRRXHHTTQITPW-INIZCTEOSA-N 1 2 327.400 0.342 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@]2(F)CCOC2)CC1 ZINC001070990905 784340825 /nfs/dbraw/zinc/34/08/25/784340825.db2.gz BDRRXHHTTQITPW-INIZCTEOSA-N 1 2 327.400 0.342 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cccnc2C)CC1 ZINC001070992485 784345065 /nfs/dbraw/zinc/34/50/65/784345065.db2.gz KTPMCPSMTKUVRF-UHFFFAOYSA-N 1 2 328.416 0.677 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cccnc2C)CC1 ZINC001070992485 784345069 /nfs/dbraw/zinc/34/50/69/784345069.db2.gz KTPMCPSMTKUVRF-UHFFFAOYSA-N 1 2 328.416 0.677 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(CCC)on2)CC1 ZINC001071013096 784411343 /nfs/dbraw/zinc/41/13/43/784411343.db2.gz QCFCLNTXSHCRBE-UHFFFAOYSA-N 1 2 346.431 0.915 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(CCC)on2)CC1 ZINC001071013096 784411348 /nfs/dbraw/zinc/41/13/48/784411348.db2.gz QCFCLNTXSHCRBE-UHFFFAOYSA-N 1 2 346.431 0.915 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)c2cnn3cc[nH]c23)CC1 ZINC001071017154 784428638 /nfs/dbraw/zinc/42/86/38/784428638.db2.gz ITLIGEBLOGTTEE-UHFFFAOYSA-N 1 2 330.392 0.113 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)c2cnn3cc[nH]c23)CC1 ZINC001071017154 784428644 /nfs/dbraw/zinc/42/86/44/784428644.db2.gz ITLIGEBLOGTTEE-UHFFFAOYSA-N 1 2 330.392 0.113 20 30 ECEDLO Cc1cc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)n(C)n1 ZINC001070627386 784458299 /nfs/dbraw/zinc/45/82/99/784458299.db2.gz 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/nfs/dbraw/zinc/90/04/81/784900481.db2.gz DGRONZXISDZMDG-OAHLLOKOSA-N 1 2 343.431 0.490 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3c[nH]nc3C)C2)C(=O)C1 ZINC001071270410 784900482 /nfs/dbraw/zinc/90/04/82/784900482.db2.gz DGRONZXISDZMDG-OAHLLOKOSA-N 1 2 343.431 0.490 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCC[C@@H](N3CC[N@@H+](C[C@H](C)O)CC3=O)C2)C1 ZINC001071273916 784911206 /nfs/dbraw/zinc/91/12/06/784911206.db2.gz KNRDWJOJDPHIAM-JKSUJKDBSA-N 1 2 349.475 0.859 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCC[C@@H](N3CC[N@H+](C[C@H](C)O)CC3=O)C2)C1 ZINC001071273916 784911208 /nfs/dbraw/zinc/91/12/08/784911208.db2.gz KNRDWJOJDPHIAM-JKSUJKDBSA-N 1 2 349.475 0.859 20 30 ECEDLO C=CCOCC(=O)N1C[C@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](C)C1 ZINC001071809046 785136502 /nfs/dbraw/zinc/13/65/02/785136502.db2.gz PCXZYHPYYORKPE-ZFWWWQNUSA-N 1 2 334.420 0.518 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@H]1C ZINC001071519088 785238740 /nfs/dbraw/zinc/23/87/40/785238740.db2.gz VFXVQYPLIJGDRD-MNOVXSKESA-N 1 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C#CCOc1ncccc1C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NC)C1 ZINC001072006366 785515262 /nfs/dbraw/zinc/51/52/62/785515262.db2.gz SFEGDLKGICZQLO-ZIAGYGMSSA-N 1 2 344.415 0.422 20 30 ECEDLO C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001072040663 785565141 /nfs/dbraw/zinc/56/51/41/785565141.db2.gz ZFSFLHGPYGQRLR-XJKSGUPXSA-N 1 2 328.416 0.729 20 30 ECEDLO C=CCCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001072336014 786041318 /nfs/dbraw/zinc/04/13/18/786041318.db2.gz IGWBQKBEALVVSJ-DOMZBBRYSA-N 1 2 334.420 0.816 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cncc4nc[nH]c43)C[C@@H]21 ZINC001074244750 786499415 /nfs/dbraw/zinc/49/94/15/786499415.db2.gz JWFUYLQNTZFCJF-JKSUJKDBSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cncc4nc[nH]c43)C[C@@H]21 ZINC001074244750 786499419 /nfs/dbraw/zinc/49/94/19/786499419.db2.gz JWFUYLQNTZFCJF-JKSUJKDBSA-N 1 2 339.399 0.897 20 30 ECEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3nnn(C(C)(C)C)n3)C[C@H]21 ZINC001074248234 786508102 /nfs/dbraw/zinc/50/81/02/786508102.db2.gz CMOFALLNDZIUMR-ZIAGYGMSSA-N 1 2 348.451 0.920 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3nnn(C(C)(C)C)n3)C[C@H]21 ZINC001074248234 786508103 /nfs/dbraw/zinc/50/81/03/786508103.db2.gz CMOFALLNDZIUMR-ZIAGYGMSSA-N 1 2 348.451 0.920 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnn4c3CCC4)C[C@@H]21 ZINC001074259385 786534682 /nfs/dbraw/zinc/53/46/82/786534682.db2.gz MFIBMPWOWWFPPD-IRXDYDNUSA-N 1 2 328.416 0.768 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnn4c3CCC4)C[C@@H]21 ZINC001074259385 786534689 /nfs/dbraw/zinc/53/46/89/786534689.db2.gz MFIBMPWOWWFPPD-IRXDYDNUSA-N 1 2 328.416 0.768 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@@H]21 ZINC001074273062 786560458 /nfs/dbraw/zinc/56/04/58/786560458.db2.gz DCDPWSYJYWYDIO-LSDHHAIUSA-N 1 2 344.415 0.325 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@@H]21 ZINC001074273062 786560463 /nfs/dbraw/zinc/56/04/63/786560463.db2.gz DCDPWSYJYWYDIO-LSDHHAIUSA-N 1 2 344.415 0.325 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc(C(N)=O)c3)C[C@H]21 ZINC001074278960 786575510 /nfs/dbraw/zinc/57/55/10/786575510.db2.gz CSLNFKOXVXLLOH-SJORKVTESA-N 1 2 341.411 0.724 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc(C(N)=O)c3)C[C@H]21 ZINC001074278960 786575516 /nfs/dbraw/zinc/57/55/16/786575516.db2.gz CSLNFKOXVXLLOH-SJORKVTESA-N 1 2 341.411 0.724 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CN3CCCNC3=O)C[C@@H]21 ZINC001074283222 786585945 /nfs/dbraw/zinc/58/59/45/786585945.db2.gz AEPGVLACBDBESM-GJZGRUSLSA-N 1 2 336.436 0.280 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CN3CCCNC3=O)C[C@@H]21 ZINC001074283222 786585952 /nfs/dbraw/zinc/58/59/52/786585952.db2.gz AEPGVLACBDBESM-GJZGRUSLSA-N 1 2 336.436 0.280 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3c(C)nn(C)c3C)C[C@H]21 ZINC001074307490 786642025 /nfs/dbraw/zinc/64/20/25/786642025.db2.gz JZFXBVRDQDPPIG-MSOLQXFVSA-N 1 2 344.459 0.904 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3c(C)nn(C)c3C)C[C@H]21 ZINC001074307490 786642033 /nfs/dbraw/zinc/64/20/33/786642033.db2.gz JZFXBVRDQDPPIG-MSOLQXFVSA-N 1 2 344.459 0.904 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3c(C)nc[nH]c3=O)C[C@@H]21 ZINC001074317174 786661362 /nfs/dbraw/zinc/66/13/62/786661362.db2.gz LHTGNOZQYJUYGY-KBPBESRZSA-N 1 2 332.404 0.982 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3c(C)nc[nH]c3=O)C[C@@H]21 ZINC001074317174 786661370 /nfs/dbraw/zinc/66/13/70/786661370.db2.gz LHTGNOZQYJUYGY-KBPBESRZSA-N 1 2 332.404 0.982 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3cc(Cl)cn3)C[C@H]21 ZINC001074348176 786727263 /nfs/dbraw/zinc/72/72/63/786727263.db2.gz IPSHTKYFSCZQLE-CABCVRRESA-N 1 2 336.823 0.862 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3cc(Cl)cn3)C[C@H]21 ZINC001074348176 786727271 /nfs/dbraw/zinc/72/72/71/786727271.db2.gz IPSHTKYFSCZQLE-CABCVRRESA-N 1 2 336.823 0.862 20 30 ECEDLO C=CCCCC(=O)N1CCN(C2CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001073597315 786733516 /nfs/dbraw/zinc/73/35/16/786733516.db2.gz WACGZBFJXVKPEQ-UHFFFAOYSA-N 1 2 345.447 0.664 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCc3cncn3C)C[C@@H]21 ZINC001074395374 786845244 /nfs/dbraw/zinc/84/52/44/786845244.db2.gz RZCCOUYAVBGSHW-IRXDYDNUSA-N 1 2 330.432 0.678 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCc3cncn3C)C[C@@H]21 ZINC001074395374 786845254 /nfs/dbraw/zinc/84/52/54/786845254.db2.gz RZCCOUYAVBGSHW-IRXDYDNUSA-N 1 2 330.432 0.678 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001073664540 786911353 /nfs/dbraw/zinc/91/13/53/786911353.db2.gz IJGGZQBVEVDUOJ-KBPBESRZSA-N 1 2 343.855 0.814 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001073664540 786911361 /nfs/dbraw/zinc/91/13/61/786911361.db2.gz IJGGZQBVEVDUOJ-KBPBESRZSA-N 1 2 343.855 0.814 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1NC(=O)CSCC#N ZINC001073743742 787104397 /nfs/dbraw/zinc/10/43/97/787104397.db2.gz CWUIMAZXKXWXJH-OCCSQVGLSA-N 1 2 349.460 0.952 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Cn1cc(C[N@H+]2CCC3(CN(C(=O)c4c[nH]c(C#N)c4)C3)C2)nn1 ZINC001072639882 788484185 /nfs/dbraw/zinc/48/41/85/788484185.db2.gz WVSBHQJOLNXYOE-UHFFFAOYSA-N 1 2 325.376 0.363 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)C#CC2CC2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001074981647 788661149 /nfs/dbraw/zinc/66/11/49/788661149.db2.gz KAGPBWYZCHGSIB-HIFRSBDPSA-N 1 2 328.416 0.872 20 30 ECEDLO CC1(NC(=O)Cn2cc[nH+]c2)CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001072930085 789128682 /nfs/dbraw/zinc/12/86/82/789128682.db2.gz CFAVMSJCDKKZND-UHFFFAOYSA-N 1 2 340.387 0.894 20 30 ECEDLO N#CCN[C@H]1CCCO[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001075417743 789346579 /nfs/dbraw/zinc/34/65/79/789346579.db2.gz OFRIZDYRUFJJSE-RDJZCZTQSA-N 1 2 331.420 0.782 20 30 ECEDLO C=C(C)C[N@@H+]1CCC2(CN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)C2)C1 ZINC001073064838 789376683 /nfs/dbraw/zinc/37/66/83/789376683.db2.gz HVDPTGIYRQODCH-UHFFFAOYSA-N 1 2 342.403 0.182 20 30 ECEDLO C=C(C)C[N@H+]1CCC2(CN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)C2)C1 ZINC001073064838 789376693 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/nfs/dbraw/zinc/12/00/32/790120032.db2.gz KUVBOJYZPCRBRY-UHFFFAOYSA-N 1 2 330.392 0.942 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CCC(=O)N(C)C3)c2C1 ZINC001069883701 790150228 /nfs/dbraw/zinc/15/02/28/790150228.db2.gz WZVLDSRKAJGBCD-AWEZNQCLSA-N 1 2 345.447 0.759 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CCC(=O)N(C)C3)c2C1 ZINC001069883701 790150238 /nfs/dbraw/zinc/15/02/38/790150238.db2.gz WZVLDSRKAJGBCD-AWEZNQCLSA-N 1 2 345.447 0.759 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccnc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001069969151 790257433 /nfs/dbraw/zinc/25/74/33/790257433.db2.gz DNDNAUJVOWIFRH-CVEARBPZSA-N 1 2 336.399 0.839 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccnc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001069969151 790257438 /nfs/dbraw/zinc/25/74/38/790257438.db2.gz DNDNAUJVOWIFRH-CVEARBPZSA-N 1 2 336.399 0.839 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2coc(OCC)n2)[C@@H](n2ccnn2)C1 ZINC001069969422 790257454 /nfs/dbraw/zinc/25/74/54/790257454.db2.gz UQWHWHUBIDMJTB-OCCSQVGLSA-N 1 2 344.375 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ZINC001069015003 791598227 /nfs/dbraw/zinc/59/82/27/791598227.db2.gz NSNOYIKUXQUCAH-PBHICJAKSA-N 1 2 346.431 0.972 20 30 ECEDLO Cc1cc(N2CC[NH+]([C@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)ncn1 ZINC001066698013 792015752 /nfs/dbraw/zinc/01/57/52/792015752.db2.gz GLWQTKNQJXFETK-HIFRSBDPSA-N 1 2 328.420 0.668 20 30 ECEDLO Cc1ccnc(N2CC[NH+]([C@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)n1 ZINC001066698911 792019986 /nfs/dbraw/zinc/01/99/86/792019986.db2.gz PHZQMGHTMCOYGH-ZFWWWQNUSA-N 1 2 328.420 0.668 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1)c1ccncc1C#N ZINC001067748589 792219757 /nfs/dbraw/zinc/21/97/57/792219757.db2.gz AQYVMOKTTOGCMQ-DOTOQJQBSA-N 1 2 343.431 0.711 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1)c1ccncc1C#N ZINC001067748589 792219761 /nfs/dbraw/zinc/21/97/61/792219761.db2.gz AQYVMOKTTOGCMQ-DOTOQJQBSA-N 1 2 343.431 0.711 20 30 ECEDLO C[C@H]1CCN(c2ccc(C#N)nn2)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067967987 792523579 /nfs/dbraw/zinc/52/35/79/792523579.db2.gz 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C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1Nc1ccnc(C#N)n1 ZINC001067227595 792848720 /nfs/dbraw/zinc/84/87/20/792848720.db2.gz PODZJFUCAFQHPX-STQMWFEESA-N 1 2 339.403 0.395 20 30 ECEDLO C[C@H](Nc1ccc(C#N)cn1)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001068234509 792885330 /nfs/dbraw/zinc/88/53/30/792885330.db2.gz HUNQFSGFHQUGOO-ZFWWWQNUSA-N 1 2 340.387 0.878 20 30 ECEDLO C[C@H](Nc1nccnc1C#N)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001068234606 792886630 /nfs/dbraw/zinc/88/66/30/792886630.db2.gz JANMQEIBWAOWRD-GXTWGEPZSA-N 1 2 341.375 0.273 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](CNc2ccnc(C#N)n2)C[C@H]1C ZINC001068342835 793086410 /nfs/dbraw/zinc/08/64/10/793086410.db2.gz ZSGYLCZMHDKCBJ-DGCLKSJQSA-N 1 2 339.403 0.693 20 30 ECEDLO C=CCCC(=O)N1CCOC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001068344237 793089367 /nfs/dbraw/zinc/08/93/67/793089367.db2.gz KYWHYBCMMROVEZ-UHFFFAOYSA-N 1 2 332.404 0.748 20 30 ECEDLO C=CCCC(=O)N1CCOC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001068344237 793089376 /nfs/dbraw/zinc/08/93/76/793089376.db2.gz KYWHYBCMMROVEZ-UHFFFAOYSA-N 1 2 332.404 0.748 20 30 ECEDLO C=CCCC(=O)N1CCOC2(CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001068347508 793095362 /nfs/dbraw/zinc/09/53/62/793095362.db2.gz DIVJVXSVYKDMNV-AWEZNQCLSA-N 1 2 346.431 0.994 20 30 ECEDLO C=CCCC(=O)N1CCOC2(CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001068347508 793095373 /nfs/dbraw/zinc/09/53/73/793095373.db2.gz DIVJVXSVYKDMNV-AWEZNQCLSA-N 1 2 346.431 0.994 20 30 ECEDLO C[C@H]1C[C@@H](CNc2ccc(C#N)nn2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001068349069 793098909 /nfs/dbraw/zinc/09/89/09/793098909.db2.gz WNPYATWIHMYOLB-RYUDHWBXSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@H]1CN(c2ccnc(C#N)n2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067407255 793110028 /nfs/dbraw/zinc/11/00/28/793110028.db2.gz DGMDKEKFYFFNAA-RYUDHWBXSA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@@H]1C[C@@H](CNc2ccc(C#N)nn2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001068375858 793150467 /nfs/dbraw/zinc/15/04/67/793150467.db2.gz NHFDCOMZEMHFLG-NEPJUHHUSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@@H]1CN(c2ccc(C#N)nn2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067441393 793165245 /nfs/dbraw/zinc/16/52/45/793165245.db2.gz YRYVCSAREHSCFZ-BXUZGUMPSA-N 1 2 325.376 0.645 20 30 ECEDLO C=CCCC(=O)N1CC2(C1)CN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)CCO2 ZINC001068401638 793226371 /nfs/dbraw/zinc/22/63/71/793226371.db2.gz AXXYCKNXQAHKCM-CQSZACIVSA-N 1 2 346.431 0.994 20 30 ECEDLO C=CCCC(=O)N1CC2(C1)CN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)CCO2 ZINC001068401638 793226377 /nfs/dbraw/zinc/22/63/77/793226377.db2.gz AXXYCKNXQAHKCM-CQSZACIVSA-N 1 2 346.431 0.994 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)CCO2 ZINC001068441744 793319843 /nfs/dbraw/zinc/31/98/43/793319843.db2.gz CWIHIBZJNXZNLV-UHFFFAOYSA-N 1 2 346.431 0.994 20 30 ECEDLO CN(CC[NH2+]CC(=O)NCC#N)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC001267431004 837411231 /nfs/dbraw/zinc/41/12/31/837411231.db2.gz MIPVBAPPQYURAX-UHFFFAOYSA-N 1 2 346.416 0.440 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2ccnn2C)C1 ZINC001267449661 837437205 /nfs/dbraw/zinc/43/72/05/837437205.db2.gz DADZRZXYEVYLOY-CQSZACIVSA-N 1 2 331.420 0.096 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccnn2C)C1 ZINC001267449661 837437209 /nfs/dbraw/zinc/43/72/09/837437209.db2.gz DADZRZXYEVYLOY-CQSZACIVSA-N 1 2 331.420 0.096 20 30 ECEDLO CCCN(C(=O)c1cncc(C)c1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267454541 837439122 /nfs/dbraw/zinc/43/91/22/837439122.db2.gz OPFYBGBTKGQKSU-MRXNPFEDSA-N 1 2 343.431 0.956 20 30 ECEDLO CCCN(C(=O)c1cncc(C)c1)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267454541 837439128 /nfs/dbraw/zinc/43/91/28/837439128.db2.gz OPFYBGBTKGQKSU-MRXNPFEDSA-N 1 2 343.431 0.956 20 30 ECEDLO C=CCn1cc(C(=O)N(CCC)[C@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001267482601 837539930 /nfs/dbraw/zinc/53/99/30/837539930.db2.gz UIAFUXCTMXWMEQ-OLZOCXBDSA-N 1 2 334.424 0.264 20 30 ECEDLO C=CCn1cc(C(=O)N(CCC)[C@H]2CC[N@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001267482601 837539938 /nfs/dbraw/zinc/53/99/38/837539938.db2.gz UIAFUXCTMXWMEQ-OLZOCXBDSA-N 1 2 334.424 0.264 20 30 ECEDLO C=CCn1cc(C(=O)N(CCC)[C@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001267482603 837540430 /nfs/dbraw/zinc/54/04/30/837540430.db2.gz UIAFUXCTMXWMEQ-STQMWFEESA-N 1 2 334.424 0.264 20 30 ECEDLO C=CCn1cc(C(=O)N(CCC)[C@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001267482603 837540434 /nfs/dbraw/zinc/54/04/34/837540434.db2.gz UIAFUXCTMXWMEQ-STQMWFEESA-N 1 2 334.424 0.264 20 30 ECEDLO C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCN(C)S(C)(=O)=O ZINC001267533275 837708467 /nfs/dbraw/zinc/70/84/67/837708467.db2.gz ZIKODKBRFZPKRN-GASCZTMLSA-N 1 2 343.493 0.909 20 30 ECEDLO C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN(C)S(C)(=O)=O ZINC001267533275 837708473 /nfs/dbraw/zinc/70/84/73/837708473.db2.gz ZIKODKBRFZPKRN-GASCZTMLSA-N 1 2 343.493 0.909 20 30 ECEDLO CCc1nc(CN2CC[NH+](CCN(C)C(=O)C#CC(C)C)CC2)no1 ZINC001267572579 837808980 /nfs/dbraw/zinc/80/89/80/837808980.db2.gz PQJIKXKNNHXINC-UHFFFAOYSA-N 1 2 347.463 0.867 20 30 ECEDLO CN(CCN1CCN(CC#N)CC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001267573107 837813659 /nfs/dbraw/zinc/81/36/59/837813659.db2.gz JFFIJFTZUQSWDW-UHFFFAOYSA-N 1 2 326.404 0.776 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)c1cc2c[nH]ccc-2n1 ZINC001267573107 837813668 /nfs/dbraw/zinc/81/36/68/837813668.db2.gz JFFIJFTZUQSWDW-UHFFFAOYSA-N 1 2 326.404 0.776 20 30 ECEDLO C=CCC(C)(C)C(=O)N(C)CCN1CC[NH+]([C@H](CC)C(N)=O)CC1 ZINC001267575379 837826250 /nfs/dbraw/zinc/82/62/50/837826250.db2.gz CQUGDAHWFFARJV-OAHLLOKOSA-N 1 2 338.496 0.929 20 30 ECEDLO C[C@@H](CC(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#N)C1)n1cccn1 ZINC001266245810 835551265 /nfs/dbraw/zinc/55/12/65/835551265.db2.gz HAFMNAKBOSHBJO-KBPBESRZSA-N 1 2 332.408 0.055 20 30 ECEDLO C[C@@H](CC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1)n1cccn1 ZINC001266245810 835551271 /nfs/dbraw/zinc/55/12/71/835551271.db2.gz HAFMNAKBOSHBJO-KBPBESRZSA-N 1 2 332.408 0.055 20 30 ECEDLO C[C@@H]1CN(C(=O)C[N@H+](C)CCNC(=O)C#CC(C)(C)C)C[C@@H](C)O1 ZINC001266272910 835594855 /nfs/dbraw/zinc/59/48/55/835594855.db2.gz GFDZZYVPLRZFTJ-HUUCEWRRSA-N 1 2 337.464 0.720 20 30 ECEDLO C[C@@H]1CN(C(=O)C[N@@H+](C)CCNC(=O)C#CC(C)(C)C)C[C@@H](C)O1 ZINC001266272910 835594861 /nfs/dbraw/zinc/59/48/61/835594861.db2.gz GFDZZYVPLRZFTJ-HUUCEWRRSA-N 1 2 337.464 0.720 20 30 ECEDLO Cc1cc(CN2CC[NH+](CCNC(=O)C#CC(C)C)CC2)nn1C ZINC001266283114 835613474 /nfs/dbraw/zinc/61/34/74/835613474.db2.gz FFMHDVLKYHTYTJ-UHFFFAOYSA-N 1 2 331.464 0.622 20 30 ECEDLO COCC#CCN1CC[NH+](CCNC(=O)CC[C@H](C)OC)CC1 ZINC001266283052 835613729 /nfs/dbraw/zinc/61/37/29/835613729.db2.gz CBLAUVSZGDWNHX-INIZCTEOSA-N 1 2 325.453 0.185 20 30 ECEDLO COCC#CC[NH+]1CCN(CCNC(=O)CC[C@H](C)OC)CC1 ZINC001266283052 835613733 /nfs/dbraw/zinc/61/37/33/835613733.db2.gz CBLAUVSZGDWNHX-INIZCTEOSA-N 1 2 325.453 0.185 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(CCNC(=O)CC2(C)CC2)CC1 ZINC001266287984 835630786 /nfs/dbraw/zinc/63/07/86/835630786.db2.gz NETGBCYZRASMON-HNNXBMFYSA-N 1 2 336.480 0.601 20 30 ECEDLO C[N@H+](CCNC(=O)c1cnc2c(F)cccc2c1)CC(=O)NCC#N ZINC001266298294 835652955 /nfs/dbraw/zinc/65/29/55/835652955.db2.gz GIZHADAQMHXFIE-UHFFFAOYSA-N 1 2 343.362 0.675 20 30 ECEDLO C[N@@H+](CCNC(=O)c1cnc2c(F)cccc2c1)CC(=O)NCC#N ZINC001266298294 835652958 /nfs/dbraw/zinc/65/29/58/835652958.db2.gz GIZHADAQMHXFIE-UHFFFAOYSA-N 1 2 343.362 0.675 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnccn2)C1 ZINC001266299121 835655790 /nfs/dbraw/zinc/65/57/90/835655790.db2.gz NGEYKXFKTNQNHY-AWEZNQCLSA-N 1 2 331.420 0.705 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)c2cnccn2)C1 ZINC001266299121 835655796 /nfs/dbraw/zinc/65/57/96/835655796.db2.gz NGEYKXFKTNQNHY-AWEZNQCLSA-N 1 2 331.420 0.705 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCCc2cccnc21 ZINC001266313817 835680659 /nfs/dbraw/zinc/68/06/59/835680659.db2.gz PSIFIQLKMPNJIB-HNNXBMFYSA-N 1 2 328.416 0.299 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCCc2cccnc21 ZINC001266313817 835680662 /nfs/dbraw/zinc/68/06/62/835680662.db2.gz PSIFIQLKMPNJIB-HNNXBMFYSA-N 1 2 328.416 0.299 20 30 ECEDLO C[N@H+](CCNC(=O)c1c(F)ccc(F)c1Cl)CC(=O)NCC#N ZINC001266329185 835710555 /nfs/dbraw/zinc/71/05/55/835710555.db2.gz ZVMGNIVCCXQUCY-UHFFFAOYSA-N 1 2 344.749 0.920 20 30 ECEDLO C[N@@H+](CCNC(=O)c1c(F)ccc(F)c1Cl)CC(=O)NCC#N ZINC001266329185 835710558 /nfs/dbraw/zinc/71/05/58/835710558.db2.gz ZVMGNIVCCXQUCY-UHFFFAOYSA-N 1 2 344.749 0.920 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001266336772 835720174 /nfs/dbraw/zinc/72/01/74/835720174.db2.gz VZSJHWITMJJMGX-CHWSQXEVSA-N 1 2 327.375 0.752 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001266336772 835720186 /nfs/dbraw/zinc/72/01/86/835720186.db2.gz VZSJHWITMJJMGX-CHWSQXEVSA-N 1 2 327.375 0.752 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001266341153 835726765 /nfs/dbraw/zinc/72/67/65/835726765.db2.gz AZZSBMFKIBHICG-ZIAGYGMSSA-N 1 2 348.447 0.934 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001266341153 835726768 /nfs/dbraw/zinc/72/67/68/835726768.db2.gz AZZSBMFKIBHICG-ZIAGYGMSSA-N 1 2 348.447 0.934 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2cn[nH]n2)C1 ZINC001266341292 835726791 /nfs/dbraw/zinc/72/67/91/835726791.db2.gz DTEKBTVATXVJAX-HNNXBMFYSA-N 1 2 348.451 0.352 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)CCc2cn[nH]n2)C1 ZINC001266341292 835726795 /nfs/dbraw/zinc/72/67/95/835726795.db2.gz DTEKBTVATXVJAX-HNNXBMFYSA-N 1 2 348.451 0.352 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]nn2)C1 ZINC001266341292 835726798 /nfs/dbraw/zinc/72/67/98/835726798.db2.gz DTEKBTVATXVJAX-HNNXBMFYSA-N 1 2 348.451 0.352 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH]nn2)C1 ZINC001266341292 835726801 /nfs/dbraw/zinc/72/68/01/835726801.db2.gz DTEKBTVATXVJAX-HNNXBMFYSA-N 1 2 348.451 0.352 20 30 ECEDLO C[N@H+](CCNC(=O)c1ccncc1C(F)(F)F)CC(=O)NCC#N ZINC001266344000 835731704 /nfs/dbraw/zinc/73/17/04/835731704.db2.gz DOFOEMVLELZQKD-UHFFFAOYSA-N 1 2 343.309 0.402 20 30 ECEDLO C[N@@H+](CCNC(=O)c1ccncc1C(F)(F)F)CC(=O)NCC#N ZINC001266344000 835731706 /nfs/dbraw/zinc/73/17/06/835731706.db2.gz DOFOEMVLELZQKD-UHFFFAOYSA-N 1 2 343.309 0.402 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2cnc(C3CC3)nc2)C1 ZINC001266344581 835733391 /nfs/dbraw/zinc/73/33/91/835733391.db2.gz JICKHZSPSSWLBR-DOMZBBRYSA-N 1 2 343.431 0.849 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cnc(C3CC3)nc2)C1 ZINC001266344581 835733396 /nfs/dbraw/zinc/73/33/96/835733396.db2.gz JICKHZSPSSWLBR-DOMZBBRYSA-N 1 2 343.431 0.849 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2csc(C(C)C)n2)C1 ZINC001266346623 835737583 /nfs/dbraw/zinc/73/75/83/835737583.db2.gz DYFZKSREOHVEOT-GFCCVEGCSA-N 1 2 334.445 0.820 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2csc(C(C)C)n2)C1 ZINC001266346623 835737595 /nfs/dbraw/zinc/73/75/95/835737595.db2.gz DYFZKSREOHVEOT-GFCCVEGCSA-N 1 2 334.445 0.820 20 30 ECEDLO C[C@@H](CC(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCC#N)c1ccncc1 ZINC001266468461 835870429 /nfs/dbraw/zinc/87/04/29/835870429.db2.gz QRAGLYSVQIJZMM-GOEBONIOSA-N 1 2 343.431 0.796 20 30 ECEDLO C[C@@H](CC(=O)NC[C@H]1CCC[N@H+]1CC(=O)NCC#N)c1ccncc1 ZINC001266468461 835870434 /nfs/dbraw/zinc/87/04/34/835870434.db2.gz QRAGLYSVQIJZMM-GOEBONIOSA-N 1 2 343.431 0.796 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc2n(n1)CCCO2 ZINC001266471401 835874688 /nfs/dbraw/zinc/87/46/88/835874688.db2.gz OBZRIGORAFAJQU-ZDUSSCGKSA-N 1 2 347.419 0.162 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cc2n(n1)CCCO2 ZINC001266471401 835874693 /nfs/dbraw/zinc/87/46/93/835874693.db2.gz OBZRIGORAFAJQU-ZDUSSCGKSA-N 1 2 347.419 0.162 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cncc2[nH]ccc21 ZINC001266471420 835874826 /nfs/dbraw/zinc/87/48/26/835874826.db2.gz OKILSVRTYRNSHZ-GFCCVEGCSA-N 1 2 340.387 0.397 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cncc2[nH]ccc21 ZINC001266471420 835874830 /nfs/dbraw/zinc/87/48/30/835874830.db2.gz OKILSVRTYRNSHZ-GFCCVEGCSA-N 1 2 340.387 0.397 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ncccc1OC ZINC001266492680 835893549 /nfs/dbraw/zinc/89/35/49/835893549.db2.gz USOFUOBXDLMWQZ-CYBMUJFWSA-N 1 2 332.404 0.587 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ncccc1OC ZINC001266492680 835893554 /nfs/dbraw/zinc/89/35/54/835893554.db2.gz USOFUOBXDLMWQZ-CYBMUJFWSA-N 1 2 332.404 0.587 20 30 ECEDLO C[C@H](C(=O)NC[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)S(C)(=O)=O ZINC001266521108 835935891 /nfs/dbraw/zinc/93/58/91/835935891.db2.gz ZUPPBRNHGRJCLN-WBVHZDCISA-N 1 2 348.468 0.909 20 30 ECEDLO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)S(C)(=O)=O ZINC001266521108 835935898 /nfs/dbraw/zinc/93/58/98/835935898.db2.gz ZUPPBRNHGRJCLN-WBVHZDCISA-N 1 2 348.468 0.909 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001266553929 835980700 /nfs/dbraw/zinc/98/07/00/835980700.db2.gz YWWHJYLFUJQPIH-KBPBESRZSA-N 1 2 335.408 0.539 20 30 ECEDLO N#Cc1ccc(C[N@H+](CCNC(=O)[C@@H]2CCNC2=O)C2CC2)c(F)c1 ZINC001266604474 836037164 /nfs/dbraw/zinc/03/71/64/836037164.db2.gz GQWQOACGBFAKBE-OAHLLOKOSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(C[N@@H+](CCNC(=O)[C@@H]2CCNC2=O)C2CC2)c(F)c1 ZINC001266604474 836037173 /nfs/dbraw/zinc/03/71/73/836037173.db2.gz GQWQOACGBFAKBE-OAHLLOKOSA-N 1 2 344.390 0.914 20 30 ECEDLO C=C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnn(C)n2)C1)c1ccccc1 ZINC001266733365 836214287 /nfs/dbraw/zinc/21/42/87/836214287.db2.gz RSVSOLVOQOJSBU-ZNMIVQPWSA-N 1 2 326.404 0.917 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCC[N@H+](Cc2nnnn2C2CC2)C1 ZINC001266750466 836240640 /nfs/dbraw/zinc/24/06/40/836240640.db2.gz XJCBPTLPATTXJB-SUMWQHHRSA-N 1 2 348.451 0.663 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC001266750466 836240650 /nfs/dbraw/zinc/24/06/50/836240650.db2.gz XJCBPTLPATTXJB-SUMWQHHRSA-N 1 2 348.451 0.663 20 30 ECEDLO CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)CC#Cc1ccccc1 ZINC001267106060 836786875 /nfs/dbraw/zinc/78/68/75/836786875.db2.gz PZEIFRWGHKGBJD-UHFFFAOYSA-N 1 2 327.388 0.098 20 30 ECEDLO C[N@H+](CCNC(=O)C#CC(C)(C)C)CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001267193723 836957649 /nfs/dbraw/zinc/95/76/49/836957649.db2.gz BIKDRCNNUQAMDO-MRXNPFEDSA-N 1 2 349.475 0.721 20 30 ECEDLO C[N@@H+](CCNC(=O)C#CC(C)(C)C)CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001267193723 836957658 /nfs/dbraw/zinc/95/76/58/836957658.db2.gz BIKDRCNNUQAMDO-MRXNPFEDSA-N 1 2 349.475 0.721 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1nc(C)n2ccccc12 ZINC001267206851 836989537 /nfs/dbraw/zinc/98/95/37/836989537.db2.gz RWXIPNDAFTVTOP-UHFFFAOYSA-N 1 2 329.404 0.607 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1nc(C)n2ccccc12 ZINC001267206851 836989543 /nfs/dbraw/zinc/98/95/43/836989543.db2.gz RWXIPNDAFTVTOP-UHFFFAOYSA-N 1 2 329.404 0.607 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1c(C)nn(C)c1Cl ZINC001267209018 836994674 /nfs/dbraw/zinc/99/46/74/836994674.db2.gz FYDZOKYNXSWXKA-UHFFFAOYSA-N 1 2 327.816 0.346 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1c(C)nn(C)c1Cl ZINC001267209018 836994681 /nfs/dbraw/zinc/99/46/81/836994681.db2.gz FYDZOKYNXSWXKA-UHFFFAOYSA-N 1 2 327.816 0.346 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1ocnc1CC ZINC001267275017 837117085 /nfs/dbraw/zinc/11/70/85/837117085.db2.gz BONJCDBNWHYDGB-QWHCGFSZSA-N 1 2 332.404 0.569 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)c1ocnc1CC ZINC001267275017 837117089 /nfs/dbraw/zinc/11/70/89/837117089.db2.gz BONJCDBNWHYDGB-QWHCGFSZSA-N 1 2 332.404 0.569 20 30 ECEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)[C@H]1CCNC1=O ZINC001267316591 837193431 /nfs/dbraw/zinc/19/34/31/837193431.db2.gz VQWYZVAZKWJTOZ-NSHDSACASA-N 1 2 332.242 0.859 20 30 ECEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)[C@H]1CCNC1=O ZINC001267316591 837193437 /nfs/dbraw/zinc/19/34/37/837193437.db2.gz VQWYZVAZKWJTOZ-NSHDSACASA-N 1 2 332.242 0.859 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N[C@@H](C)CC ZINC001267404960 837375800 /nfs/dbraw/zinc/37/58/00/837375800.db2.gz FIEPNHZMHUOXJO-HRCADAONSA-N 1 2 335.448 0.616 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N[C@@H](C)CC ZINC001267404960 837375813 /nfs/dbraw/zinc/37/58/13/837375813.db2.gz FIEPNHZMHUOXJO-HRCADAONSA-N 1 2 335.448 0.616 20 30 ECEDLO C[N@@H+](CC(=O)NCC#N)C[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001267583921 837854037 /nfs/dbraw/zinc/85/40/37/837854037.db2.gz WRJFTVXMMWHOAB-ONGXEEELSA-N 1 2 338.305 0.307 20 30 ECEDLO C[N@H+](CC(=O)NCC#N)C[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001267583921 837854042 /nfs/dbraw/zinc/85/40/42/837854042.db2.gz WRJFTVXMMWHOAB-ONGXEEELSA-N 1 2 338.305 0.307 20 30 ECEDLO C[N@@H+](CC(=O)NCC#N)C[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001267583921 837854053 /nfs/dbraw/zinc/85/40/53/837854053.db2.gz WRJFTVXMMWHOAB-ONGXEEELSA-N 1 2 338.305 0.307 20 30 ECEDLO C[N@H+](CC(=O)NCC#N)C[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001267583921 837854063 /nfs/dbraw/zinc/85/40/63/837854063.db2.gz WRJFTVXMMWHOAB-ONGXEEELSA-N 1 2 338.305 0.307 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(CCN(C)C(=O)c2ccco2)CC1 ZINC001267604801 837938641 /nfs/dbraw/zinc/93/86/41/837938641.db2.gz FRCZOMCDZBFRKP-HNNXBMFYSA-N 1 2 348.447 0.660 20 30 ECEDLO C=C(C)CN(CC)C(=O)CN1CC[NH+](CCN(C)C(=O)CC)CC1 ZINC001267605370 837941036 /nfs/dbraw/zinc/94/10/36/837941036.db2.gz SDKMRNLTSCTVSR-UHFFFAOYSA-N 1 2 338.496 0.897 20 30 ECEDLO C=CCN1CC[NH+](CCN(C)C(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)CC1 ZINC001267612262 837980056 /nfs/dbraw/zinc/98/00/56/837980056.db2.gz CXCPPQHGKRXKNT-HZPDHXFCSA-N 1 2 336.480 0.540 20 30 ECEDLO C#CCN1CC[NH+](CCN(C)C(=O)c2cnn(C(F)F)c2)CC1 ZINC001267618121 838048622 /nfs/dbraw/zinc/04/86/22/838048622.db2.gz KYGHNPXKOYYKCZ-UHFFFAOYSA-N 1 2 325.363 0.601 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC23CCOCC3)C1 ZINC001267635857 838107160 /nfs/dbraw/zinc/10/71/60/838107160.db2.gz LOFLCLMFDQVMDK-GJZGRUSLSA-N 1 2 335.448 0.686 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC23CCOCC3)C1 ZINC001267635857 838107168 /nfs/dbraw/zinc/10/71/68/838107168.db2.gz LOFLCLMFDQVMDK-GJZGRUSLSA-N 1 2 335.448 0.686 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC1C[NH+](C[C@@H](O)COc2ccccc2C)C1 ZINC001267642785 838124981 /nfs/dbraw/zinc/12/49/81/838124981.db2.gz CDQMEQPMYLTORH-APWZRJJASA-N 1 2 348.443 0.862 20 30 ECEDLO C#CCOCCC(=O)NCC1C[NH+](Cc2c(C)nn(C)c2Cl)C1 ZINC001267680992 838241012 /nfs/dbraw/zinc/24/10/12/838241012.db2.gz FKNONLPXWVPDDH-UHFFFAOYSA-N 1 2 338.839 0.970 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H](C)CO2)C1 ZINC001267687001 838250217 /nfs/dbraw/zinc/25/02/17/838250217.db2.gz WOETYHRKYPHEJK-HOCLYGCPSA-N 1 2 337.464 0.884 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2cccc(N(C)C)c2)C1 ZINC001267696850 838288680 /nfs/dbraw/zinc/28/86/80/838288680.db2.gz ADFWYEPEAUCDIT-AWEZNQCLSA-N 1 2 342.443 0.552 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)COc2ccccc2F)C1 ZINC001267698896 838293145 /nfs/dbraw/zinc/29/31/45/838293145.db2.gz JERFMJAOSCIQJX-ZDUSSCGKSA-N 1 2 347.390 0.390 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@@H](C)Oc2ccccc2)C1 ZINC001267699360 838294494 /nfs/dbraw/zinc/29/44/94/838294494.db2.gz YZHIEABDYPZMGG-HUUCEWRRSA-N 1 2 343.427 0.640 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)COC(C)C)C1 ZINC001267719541 838372093 /nfs/dbraw/zinc/37/20/93/838372093.db2.gz FGOSBYVUJOSIKV-STQMWFEESA-N 1 2 340.424 0.002 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)COC(C)C)C1 ZINC001267719541 838372095 /nfs/dbraw/zinc/37/20/95/838372095.db2.gz FGOSBYVUJOSIKV-STQMWFEESA-N 1 2 340.424 0.002 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2cnc(OC)nc2C)C1 ZINC001267723978 838382439 /nfs/dbraw/zinc/38/24/39/838382439.db2.gz NCYVYHCVRDDRKR-HIFRSBDPSA-N 1 2 332.404 0.522 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2cnc(OC)nc2C)C1 ZINC001267723978 838382443 /nfs/dbraw/zinc/38/24/43/838382443.db2.gz NCYVYHCVRDDRKR-HIFRSBDPSA-N 1 2 332.404 0.522 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccccc2CC)C1 ZINC001267725095 838390636 /nfs/dbraw/zinc/39/06/36/838390636.db2.gz GPZNLZARNFSWNN-KRWDZBQOSA-N 1 2 327.428 0.731 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2CC)C1 ZINC001267725095 838390643 /nfs/dbraw/zinc/39/06/43/838390643.db2.gz GPZNLZARNFSWNN-KRWDZBQOSA-N 1 2 327.428 0.731 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(CC(C)C)c2)C1 ZINC001267731522 838419431 /nfs/dbraw/zinc/41/94/31/838419431.db2.gz GDFRUXXRFOALIU-HNNXBMFYSA-N 1 2 331.420 0.093 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(CC(C)C)c2)C1 ZINC001267731522 838419435 /nfs/dbraw/zinc/41/94/35/838419435.db2.gz GDFRUXXRFOALIU-HNNXBMFYSA-N 1 2 331.420 0.093 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cnn(C3CCC3)c2)C1 ZINC001267741521 838442113 /nfs/dbraw/zinc/44/21/13/838442113.db2.gz BQFABKQSDPEDLS-DZGCQCFKSA-N 1 2 343.431 0.550 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cnn(C3CCC3)c2)C1 ZINC001267741521 838442118 /nfs/dbraw/zinc/44/21/18/838442118.db2.gz BQFABKQSDPEDLS-DZGCQCFKSA-N 1 2 343.431 0.550 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)Oc2cccc(C)c2)C1 ZINC001267754364 838477088 /nfs/dbraw/zinc/47/70/88/838477088.db2.gz FQRALTBARRHRCW-JKSUJKDBSA-N 1 2 343.427 0.702 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)Oc2cccc(C)c2)C1 ZINC001267754364 838477090 /nfs/dbraw/zinc/47/70/90/838477090.db2.gz FQRALTBARRHRCW-JKSUJKDBSA-N 1 2 343.427 0.702 20 30 ECEDLO C=CCCC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC001267758940 838485751 /nfs/dbraw/zinc/48/57/51/838485751.db2.gz MTJIPJGKVDCWBY-UONOGXRCSA-N 1 2 338.452 0.078 20 30 ECEDLO C=CCCC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC001267758940 838485757 /nfs/dbraw/zinc/48/57/57/838485757.db2.gz MTJIPJGKVDCWBY-UONOGXRCSA-N 1 2 338.452 0.078 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc(CC)nn2C)C1 ZINC001267789304 838568987 /nfs/dbraw/zinc/56/89/87/838568987.db2.gz DOSAZHJZJBWMPI-HNNXBMFYSA-N 1 2 345.447 0.268 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(CC)nn2C)C1 ZINC001267789304 838568991 /nfs/dbraw/zinc/56/89/91/838568991.db2.gz DOSAZHJZJBWMPI-HNNXBMFYSA-N 1 2 345.447 0.268 20 30 ECEDLO CCN(C(=O)c1ncccc1OC)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267791215 838570518 /nfs/dbraw/zinc/57/05/18/838570518.db2.gz WIWOMFCVKSEHKE-CYBMUJFWSA-N 1 2 345.403 0.266 20 30 ECEDLO CCN(C(=O)c1ncccc1OC)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267791215 838570526 /nfs/dbraw/zinc/57/05/26/838570526.db2.gz WIWOMFCVKSEHKE-CYBMUJFWSA-N 1 2 345.403 0.266 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC001267931349 838813089 /nfs/dbraw/zinc/81/30/89/838813089.db2.gz QZPQWTOGBHYFFX-VXGBXAGGSA-N 1 2 348.407 0.004 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC001267931349 838813105 /nfs/dbraw/zinc/81/31/05/838813105.db2.gz QZPQWTOGBHYFFX-VXGBXAGGSA-N 1 2 348.407 0.004 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cnn3c2CCC3)C1 ZINC001267937778 838820288 /nfs/dbraw/zinc/82/02/88/838820288.db2.gz WNDPHSQAEKYWMT-ZIAGYGMSSA-N 1 2 345.447 0.714 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cnn3c2CCC3)C1 ZINC001267937778 838820303 /nfs/dbraw/zinc/82/03/03/838820303.db2.gz WNDPHSQAEKYWMT-ZIAGYGMSSA-N 1 2 345.447 0.714 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2[nH]c(C)nc2C)C1 ZINC001267966719 838884677 /nfs/dbraw/zinc/88/46/77/838884677.db2.gz POMKWDOPHSJIAK-GXTWGEPZSA-N 1 2 331.420 0.359 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2[nH]c(C)nc2C)C1 ZINC001267966719 838884691 /nfs/dbraw/zinc/88/46/91/838884691.db2.gz POMKWDOPHSJIAK-GXTWGEPZSA-N 1 2 331.420 0.359 20 30 ECEDLO C=CCn1cc(C(=O)NCCC[NH2+]Cc2noc(C(C)C)n2)nn1 ZINC001167830738 839309242 /nfs/dbraw/zinc/30/92/42/839309242.db2.gz CAPPXAISFUCCAP-UHFFFAOYSA-N 1 2 333.396 0.880 20 30 ECEDLO N#Cc1c(CN2CC[NH+](CCS(N)(=O)=O)CC2)cn2ccccc12 ZINC000174933405 231347817 /nfs/dbraw/zinc/34/78/17/231347817.db2.gz LBFXBEUSDURHHB-UHFFFAOYSA-N 1 2 347.444 0.217 20 30 ECEDLO CC[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(F)cc2C#N)CCO1 ZINC000427895701 210230437 /nfs/dbraw/zinc/23/04/37/210230437.db2.gz OMUWFYRFTBZXEI-AWEZNQCLSA-N 1 2 348.378 0.863 20 30 ECEDLO CC[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(F)cc2C#N)CCO1 ZINC000427895701 210230438 /nfs/dbraw/zinc/23/04/38/210230438.db2.gz OMUWFYRFTBZXEI-AWEZNQCLSA-N 1 2 348.378 0.863 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCNC3=O)CC2)c(F)c1 ZINC000101558538 219136344 /nfs/dbraw/zinc/13/63/44/219136344.db2.gz NZZLBZRYJYYLGO-UHFFFAOYSA-N 1 2 331.351 0.371 20 30 ECEDLO N#Cc1cc(F)cc(C2(C(=O)N[C@@H](CO)C[NH+]3CCOCC3)CC2)c1 ZINC000425295177 210035036 /nfs/dbraw/zinc/03/50/36/210035036.db2.gz OWCQBMJIHUNPKG-MRXNPFEDSA-N 1 2 347.390 0.538 20 30 ECEDLO Cc1cc(N2CCN(S(=O)(=O)Cc3ccon3)CC2)c(C#N)c[nH+]1 ZINC000425237980 210026358 /nfs/dbraw/zinc/02/63/58/210026358.db2.gz UCYCOBNSQKKKDO-UHFFFAOYSA-N 1 2 347.400 0.902 20 30 ECEDLO COc1ccc(CCNc2cc(C)[nH+]cc2C#N)cc1S(N)(=O)=O ZINC000425243466 210026077 /nfs/dbraw/zinc/02/60/77/210026077.db2.gz FOFOGDRJNAPBRP-UHFFFAOYSA-N 1 2 346.412 0.994 20 30 ECEDLO C[NH+]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000102812902 219232206 /nfs/dbraw/zinc/23/22/06/219232206.db2.gz WGJCPJBTRLHOBI-UHFFFAOYSA-N 1 2 338.314 0.872 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CN3CCOCC3)CC2)cc1 ZINC000021420178 212224742 /nfs/dbraw/zinc/22/47/42/212224742.db2.gz UABOCQWEAVUTRZ-UHFFFAOYSA-N 1 2 328.416 0.535 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)[C@H](C)C1 ZINC000189092171 296186784 /nfs/dbraw/zinc/18/67/84/296186784.db2.gz FNGQXYJUAIAGII-VXGBXAGGSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)[C@H](C)C1 ZINC000189092171 296186786 /nfs/dbraw/zinc/18/67/86/296186786.db2.gz FNGQXYJUAIAGII-VXGBXAGGSA-N 1 2 341.408 0.773 20 30 ECEDLO COCCOC[C@H](O)C[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000451043465 211357285 /nfs/dbraw/zinc/35/72/85/211357285.db2.gz GTWIBZIPOJNOEH-CYBMUJFWSA-N 1 2 340.449 0.469 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3ccc4nncn4n3)CC2)C1=O ZINC000281893753 254552835 /nfs/dbraw/zinc/55/28/35/254552835.db2.gz FAYNSJORUBZZIO-CYBMUJFWSA-N 1 2 327.392 0.033 20 30 ECEDLO CN(C)C(=O)[C@H]1CC[C@@H](C(=O)NCC2([NH+]3CCOCC3)CC2)O1 ZINC000329523528 254610405 /nfs/dbraw/zinc/61/04/05/254610405.db2.gz RQSLQVRMMHIMEM-QWHCGFSZSA-N 1 2 325.409 0.444 20 30 ECEDLO C#CCN(CC#CC)C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000490934734 254892129 /nfs/dbraw/zinc/89/21/29/254892129.db2.gz KFLNQLJWIYACAN-HNNXBMFYSA-N 1 2 341.415 0.579 20 30 ECEDLO CON=CC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000495950188 255058090 /nfs/dbraw/zinc/05/80/90/255058090.db2.gz NLRWUPSWMMJFNQ-CYBMUJFWSA-N 1 2 340.424 0.772 20 30 ECEDLO C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CNc1ccnc(C#N)n1 ZINC000496180787 255078692 /nfs/dbraw/zinc/07/86/92/255078692.db2.gz XPUIDFFHFIJREX-GFCCVEGCSA-N 1 2 332.408 0.733 20 30 ECEDLO C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CNc1ccnc(C#N)n1 ZINC000496180787 255078694 /nfs/dbraw/zinc/07/86/94/255078694.db2.gz XPUIDFFHFIJREX-GFCCVEGCSA-N 1 2 332.408 0.733 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1COC(=O)NC1CC1 ZINC000496712323 255123583 /nfs/dbraw/zinc/12/35/83/255123583.db2.gz KKGWLHNUJHPFML-ZDUSSCGKSA-N 1 2 338.408 0.741 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1COC(=O)NC1CC1 ZINC000496712323 255123584 /nfs/dbraw/zinc/12/35/84/255123584.db2.gz KKGWLHNUJHPFML-ZDUSSCGKSA-N 1 2 338.408 0.741 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCN(C(=O)CC#N)CC1)C(=O)OC(C)(C)C ZINC000496761511 255127530 /nfs/dbraw/zinc/12/75/30/255127530.db2.gz WSTOAFRVIATWAW-ZDUSSCGKSA-N 1 2 340.424 0.272 20 30 ECEDLO COC(=O)[C@@H]1CN(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C(=O)O1 ZINC000496565833 255110524 /nfs/dbraw/zinc/11/05/24/255110524.db2.gz CLLXZTCRYDIRBU-STQMWFEESA-N 1 2 346.343 0.358 20 30 ECEDLO COC(=O)[C@@H]1CN(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C(=O)O1 ZINC000496565833 255110525 /nfs/dbraw/zinc/11/05/25/255110525.db2.gz CLLXZTCRYDIRBU-STQMWFEESA-N 1 2 346.343 0.358 20 30 ECEDLO COCCNC(=O)C[NH+]1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000191851824 165037212 /nfs/dbraw/zinc/03/72/12/165037212.db2.gz NAHCTGSGLDBTIW-UHFFFAOYSA-N 1 2 334.395 0.578 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000122427480 222085156 /nfs/dbraw/zinc/08/51/56/222085156.db2.gz IBVGRGIFBRINOF-NWDGAFQWSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000122427480 222085158 /nfs/dbraw/zinc/08/51/58/222085158.db2.gz IBVGRGIFBRINOF-NWDGAFQWSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355110672 269824920 /nfs/dbraw/zinc/82/49/20/269824920.db2.gz WUMKFOCOPJYAKN-GOEBONIOSA-N 1 2 343.431 0.759 20 30 ECEDLO COCC1(O)CC[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000270384529 263239088 /nfs/dbraw/zinc/23/90/88/263239088.db2.gz QTJRDOJTBCDXFL-UHFFFAOYSA-N 1 2 338.429 0.805 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnc(N(C)C)nc1 ZINC000271299951 263314058 /nfs/dbraw/zinc/31/40/58/263314058.db2.gz TYNDDDZEOVCVFL-CYBMUJFWSA-N 1 2 338.419 0.915 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnc(N(C)C)nc1 ZINC000271299951 263314060 /nfs/dbraw/zinc/31/40/60/263314060.db2.gz TYNDDDZEOVCVFL-CYBMUJFWSA-N 1 2 338.419 0.915 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1=O ZINC000360909551 270007299 /nfs/dbraw/zinc/00/72/99/270007299.db2.gz ILOHTELKFPCNHQ-LBPRGKRZSA-N 1 2 326.360 0.541 20 30 ECEDLO N#Cc1cc(F)ccc1CS(=O)(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000295224276 265054054 /nfs/dbraw/zinc/05/40/54/265054054.db2.gz WASNYDOMLYJYMJ-HNNXBMFYSA-N 1 2 338.408 0.117 20 30 ECEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Cn2cnc(C#N)n2)CC1 ZINC000332252921 267003076 /nfs/dbraw/zinc/00/30/76/267003076.db2.gz DFEDODDNOMVHLD-ZDUSSCGKSA-N 1 2 325.376 0.450 20 30 ECEDLO C[C@H](C(=O)N1CC[NH+](Cc2ccncc2)CC1)n1cnc(C#N)n1 ZINC000342382955 267126708 /nfs/dbraw/zinc/12/67/08/267126708.db2.gz ICZIJLCZMYOWHY-CYBMUJFWSA-N 1 2 325.376 0.450 20 30 ECEDLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1 ZINC000291391620 267191424 /nfs/dbraw/zinc/19/14/24/267191424.db2.gz VRRNGAVFQLBAJF-NSHDSACASA-N 1 2 334.351 0.161 20 30 ECEDLO C[C@H](O)COC(=O)CC[N@@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000366657454 267191635 /nfs/dbraw/zinc/19/16/35/267191635.db2.gz VPAXDPBIFAACJN-AWEZNQCLSA-N 1 2 345.399 0.517 20 30 ECEDLO C[C@H](O)COC(=O)CC[N@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000366657454 267191638 /nfs/dbraw/zinc/19/16/38/267191638.db2.gz VPAXDPBIFAACJN-AWEZNQCLSA-N 1 2 345.399 0.517 20 30 ECEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000339800935 267197102 /nfs/dbraw/zinc/19/71/02/267197102.db2.gz VKDDFZZKCBGLDR-HNNXBMFYSA-N 1 2 347.415 0.479 20 30 ECEDLO C[C@H]1C[NH+](CCCNS(=O)(=O)c2cncc(C#N)c2)C[C@H](C)O1 ZINC000352332823 267231112 /nfs/dbraw/zinc/23/11/12/267231112.db2.gz IOGVQRVANYDNDF-STQMWFEESA-N 1 2 338.433 0.731 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccnc(C#N)c1 ZINC000529751410 267330820 /nfs/dbraw/zinc/33/08/20/267330820.db2.gz INEWSUGGQSDLCU-KRWDZBQOSA-N 1 2 330.388 0.299 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccnc(C#N)c1 ZINC000529751410 267330821 /nfs/dbraw/zinc/33/08/21/267330821.db2.gz INEWSUGGQSDLCU-KRWDZBQOSA-N 1 2 330.388 0.299 20 30 ECEDLO N#Cc1cccc(NC(=O)C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000355580461 268262719 /nfs/dbraw/zinc/26/27/19/268262719.db2.gz TZRIBBGUJJEMFJ-UHFFFAOYSA-N 1 2 338.371 0.564 20 30 ECEDLO CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000041281547 277738314 /nfs/dbraw/zinc/73/83/14/277738314.db2.gz RELNTBALHVMZAE-MRXNPFEDSA-N 1 2 344.415 0.970 20 30 ECEDLO CC(C)[C@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)[NH+]1CCN(C)CC1 ZINC000330423353 280254087 /nfs/dbraw/zinc/25/40/87/280254087.db2.gz SZGIVEBPTHWAEH-GJZGRUSLSA-N 1 2 345.513 0.327 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000330223636 289729033 /nfs/dbraw/zinc/72/90/33/289729033.db2.gz NEOAKMSKTMTLGI-CABCVRRESA-N 1 2 341.452 0.627 20 30 ECEDLO CN1C(=O)CO[C@@H](C(=O)NC[C@@H]2C[N@H+](C)CCO2)[C@H]1c1ccccc1 ZINC000329888778 290106075 /nfs/dbraw/zinc/10/60/75/290106075.db2.gz ZKZATUMOEDOGQZ-DJIMGWMZSA-N 1 2 347.415 0.872 20 30 ECEDLO CN1C(=O)CO[C@@H](C(=O)NC[C@@H]2C[N@@H+](C)CCO2)[C@H]1c1ccccc1 ZINC000329888778 290106077 /nfs/dbraw/zinc/10/60/77/290106077.db2.gz ZKZATUMOEDOGQZ-DJIMGWMZSA-N 1 2 347.415 0.872 20 30 ECEDLO Cc1cccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1C#N ZINC000190036999 437615831 /nfs/dbraw/zinc/61/58/31/437615831.db2.gz PHIKKEQZZVBESI-CYBMUJFWSA-N 1 2 330.388 0.330 20 30 ECEDLO Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1C#N ZINC000190036999 437615835 /nfs/dbraw/zinc/61/58/35/437615835.db2.gz PHIKKEQZZVBESI-CYBMUJFWSA-N 1 2 330.388 0.330 20 30 ECEDLO C=C(C)C[N@@H+](CC)CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000071805268 436014083 /nfs/dbraw/zinc/01/40/83/436014083.db2.gz OIJYQSAIMSCPEA-CQSZACIVSA-N 1 2 332.466 0.547 20 30 ECEDLO C=C(C)C[N@H+](CC)CC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000071805268 436014089 /nfs/dbraw/zinc/01/40/89/436014089.db2.gz OIJYQSAIMSCPEA-CQSZACIVSA-N 1 2 332.466 0.547 20 30 ECEDLO COCCN(CCC#N)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000072690176 436051380 /nfs/dbraw/zinc/05/13/80/436051380.db2.gz HKDCIAJDMOITQT-UHFFFAOYSA-N 1 2 334.420 0.786 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+]([C@@H](C)C(=O)NCc2ccccc2)CC1 ZINC000023264881 436125110 /nfs/dbraw/zinc/12/51/10/436125110.db2.gz DDRCPZNQYYSVBV-INIZCTEOSA-N 1 2 344.459 0.611 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(C(=O)OC)cc2)CC1 ZINC000023265201 436124463 /nfs/dbraw/zinc/12/44/63/436124463.db2.gz XCTMZESSVVDVCA-UHFFFAOYSA-N 1 2 331.416 0.893 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026483943 436164507 /nfs/dbraw/zinc/16/45/07/436164507.db2.gz QNPCATADMMSIDY-UHFFFAOYSA-N 1 2 348.363 0.124 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000076017652 436185535 /nfs/dbraw/zinc/18/55/35/436185535.db2.gz XDDJJOOVQYDGTI-UHFFFAOYSA-N 1 2 325.434 0.507 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000076017652 436185540 /nfs/dbraw/zinc/18/55/40/436185540.db2.gz XDDJJOOVQYDGTI-UHFFFAOYSA-N 1 2 325.434 0.507 20 30 ECEDLO C#CC[NH+]1CCN(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000029891248 436209547 /nfs/dbraw/zinc/20/95/47/436209547.db2.gz QOCVROIVDXMXSY-UHFFFAOYSA-N 1 2 328.328 0.399 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000078256147 436262963 /nfs/dbraw/zinc/26/29/63/436262963.db2.gz RZHZUNOLXRSSLZ-AWEZNQCLSA-N 1 2 326.404 0.836 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](CC(N)=O)C2)cc1 ZINC000081517308 436348525 /nfs/dbraw/zinc/34/85/25/436348525.db2.gz WNILUQAKSUQHGV-AWEZNQCLSA-N 1 2 335.429 0.919 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](CC(N)=O)C2)cc1 ZINC000081517308 436348528 /nfs/dbraw/zinc/34/85/28/436348528.db2.gz WNILUQAKSUQHGV-AWEZNQCLSA-N 1 2 335.429 0.919 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(CC(=O)NC2CC2)CC1 ZINC000042627706 436310487 /nfs/dbraw/zinc/31/04/87/436310487.db2.gz QJGQMARFYXSPPK-HNNXBMFYSA-N 1 2 336.480 0.696 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000098135361 436546587 /nfs/dbraw/zinc/54/65/87/436546587.db2.gz RCBRFOHJQNRJGW-HNNXBMFYSA-N 1 2 349.456 0.521 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000098135361 436546588 /nfs/dbraw/zinc/54/65/88/436546588.db2.gz RCBRFOHJQNRJGW-HNNXBMFYSA-N 1 2 349.456 0.521 20 30 ECEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2ncccc2C(N)=O)CC1 ZINC000102399249 436551560 /nfs/dbraw/zinc/55/15/60/436551560.db2.gz YMWYYXOVPYMSFF-UHFFFAOYSA-N 1 2 344.419 0.065 20 30 ECEDLO N#Cc1nncn1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000054746980 436558523 /nfs/dbraw/zinc/55/85/23/436558523.db2.gz ZSYOPQUHOVAFBR-UHFFFAOYSA-N 1 2 340.387 0.298 20 30 ECEDLO C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000105740400 436576689 /nfs/dbraw/zinc/57/66/89/436576689.db2.gz AQFGVNWGCVWUOV-STQMWFEESA-N 1 2 330.388 0.722 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000109064225 436622300 /nfs/dbraw/zinc/62/23/00/436622300.db2.gz XXQLPDLDFSANLM-CQSZACIVSA-N 1 2 338.477 0.788 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000109064225 436622302 /nfs/dbraw/zinc/62/23/02/436622302.db2.gz XXQLPDLDFSANLM-CQSZACIVSA-N 1 2 338.477 0.788 20 30 ECEDLO CCN(CCC#N)C(=O)C[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000058926098 436629938 /nfs/dbraw/zinc/62/99/38/436629938.db2.gz CULGERKHNZRCPE-UHFFFAOYSA-N 1 2 330.454 0.104 20 30 ECEDLO NC(CN1CCOCC1)=[NH+]OCC(=O)Nc1ccc(F)c(F)c1 ZINC000111182052 436629424 /nfs/dbraw/zinc/62/94/24/436629424.db2.gz HKZHVXFJZLJRQY-UHFFFAOYSA-N 1 2 328.319 0.524 20 30 ECEDLO Cn1cc[nH+]c1CN1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115543205 436648010 /nfs/dbraw/zinc/64/80/10/436648010.db2.gz BCDUEJAUXFRNCQ-QGZVFWFLSA-N 1 2 338.415 0.636 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@H](C)c3ccon3)CC2)o1 ZINC000543578182 302215593 /nfs/dbraw/zinc/21/55/93/302215593.db2.gz YAUSQFAFMFQNCV-NSHDSACASA-N 1 2 344.375 0.842 20 30 ECEDLO C=CC[NH+](CC=C)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000114724026 436643010 /nfs/dbraw/zinc/64/30/10/436643010.db2.gz DGSSVCGKAYMDLW-UHFFFAOYSA-N 1 2 335.429 0.897 20 30 ECEDLO CN1CC[C@@H](ON=C(N)c2cccc(C[NH+]3CCOCC3)c2)C1=O ZINC000116267759 436649298 /nfs/dbraw/zinc/64/92/98/436649298.db2.gz QNXCLJUQFRHRBO-OAHLLOKOSA-N 1 2 332.404 0.386 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000064634268 436649544 /nfs/dbraw/zinc/64/95/44/436649544.db2.gz XELKNHDVZYFRHZ-UHFFFAOYSA-N 1 2 342.403 0.477 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000064634268 436649545 /nfs/dbraw/zinc/64/95/45/436649545.db2.gz XELKNHDVZYFRHZ-UHFFFAOYSA-N 1 2 342.403 0.477 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000120759022 436698234 /nfs/dbraw/zinc/69/82/34/436698234.db2.gz OCGTXEHVUXRYAW-CQSZACIVSA-N 1 2 329.466 0.567 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000120759022 436698237 /nfs/dbraw/zinc/69/82/37/436698237.db2.gz OCGTXEHVUXRYAW-CQSZACIVSA-N 1 2 329.466 0.567 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000120759722 436698439 /nfs/dbraw/zinc/69/84/39/436698439.db2.gz RSIYIBRSOKTDNX-AWEZNQCLSA-N 1 2 327.450 0.343 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000120759722 436698443 /nfs/dbraw/zinc/69/84/43/436698443.db2.gz RSIYIBRSOKTDNX-AWEZNQCLSA-N 1 2 327.450 0.343 20 30 ECEDLO Cc1[nH+]c[nH]c1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000555063160 302430822 /nfs/dbraw/zinc/43/08/22/302430822.db2.gz MEVSUJZBAVXJLN-UHFFFAOYSA-N 1 2 333.373 0.185 20 30 ECEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)c1 ZINC000138985197 436662353 /nfs/dbraw/zinc/66/23/53/436662353.db2.gz HNBGKSCDUCXSBT-OAHLLOKOSA-N 1 2 327.388 0.986 20 30 ECEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)c1 ZINC000138985197 436662355 /nfs/dbraw/zinc/66/23/55/436662355.db2.gz HNBGKSCDUCXSBT-OAHLLOKOSA-N 1 2 327.388 0.986 20 30 ECEDLO CC(C)(C)[C@@H](C#N)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000122410909 436734916 /nfs/dbraw/zinc/73/49/16/436734916.db2.gz OSWZINHYRYJFMN-UONOGXRCSA-N 1 2 336.436 0.222 20 30 ECEDLO CNC(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000124940422 436760063 /nfs/dbraw/zinc/76/00/63/436760063.db2.gz SPKZGGQVLZQOQE-UHFFFAOYSA-N 1 2 336.417 0.001 20 30 ECEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000245552905 436763872 /nfs/dbraw/zinc/76/38/72/436763872.db2.gz DRWJYSJVDLSZKT-HOTGVXAUSA-N 1 2 349.479 0.279 20 30 ECEDLO CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000245552905 436763876 /nfs/dbraw/zinc/76/38/76/436763876.db2.gz DRWJYSJVDLSZKT-HOTGVXAUSA-N 1 2 349.479 0.279 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2nnn(C(C)C)c2C)CC1 ZINC000293036982 436844216 /nfs/dbraw/zinc/84/42/16/436844216.db2.gz JJDQOYAQYYKTBS-UHFFFAOYSA-N 1 2 346.435 0.065 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2nnn(C(C)C)c2C)CC1 ZINC000293036982 436844218 /nfs/dbraw/zinc/84/42/18/436844218.db2.gz JJDQOYAQYYKTBS-UHFFFAOYSA-N 1 2 346.435 0.065 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)c(F)c1 ZINC000158718786 436847820 /nfs/dbraw/zinc/84/78/20/436847820.db2.gz SZGIXWRGXDNHQI-UHFFFAOYSA-N 1 2 327.381 0.386 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)c(F)c1 ZINC000158718786 436847823 /nfs/dbraw/zinc/84/78/23/436847823.db2.gz SZGIXWRGXDNHQI-UHFFFAOYSA-N 1 2 327.381 0.386 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000131494213 436852453 /nfs/dbraw/zinc/85/24/53/436852453.db2.gz GPCVQUOATHITDY-UHFFFAOYSA-N 1 2 342.399 0.730 20 30 ECEDLO COc1ccccc1[C@H]1C[NH2+]CCN1S(=O)(=O)N(C)CCC#N ZINC000261658773 436881920 /nfs/dbraw/zinc/88/19/20/436881920.db2.gz IBCOROHVENEGPA-CQSZACIVSA-N 1 2 338.433 0.732 20 30 ECEDLO C=CCN1CC[C@H]([NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)C1=O ZINC000281428697 436969903 /nfs/dbraw/zinc/96/99/03/436969903.db2.gz SEIOFNSVUDPUOQ-QWRGUYRKSA-N 1 2 331.380 0.928 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2C(C)C)CC1 ZINC000295968216 436982264 /nfs/dbraw/zinc/98/22/64/436982264.db2.gz KOAHKLMKQNSSJX-UHFFFAOYSA-N 1 2 330.436 0.850 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CNc1cccc(C#N)c1 ZINC000164438233 436933857 /nfs/dbraw/zinc/93/38/57/436933857.db2.gz MARZUABUNSIXCE-INIZCTEOSA-N 1 2 332.404 0.122 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCCN(c3ccn(C)n3)C2=O)C1=O ZINC000281233227 436956161 /nfs/dbraw/zinc/95/61/61/436956161.db2.gz FOESEDNPANPBEE-ZIAGYGMSSA-N 1 2 331.420 0.634 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(c3ccn(C)n3)C2=O)C1=O ZINC000281233227 436956163 /nfs/dbraw/zinc/95/61/63/436956163.db2.gz FOESEDNPANPBEE-ZIAGYGMSSA-N 1 2 331.420 0.634 20 30 ECEDLO C=CCn1c(C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000282672919 437019460 /nfs/dbraw/zinc/01/94/60/437019460.db2.gz SBGFEPZDMCIDOO-AWEZNQCLSA-N 1 2 332.452 0.905 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000264478767 437035406 /nfs/dbraw/zinc/03/54/06/437035406.db2.gz VVVUVBQXHSWOIX-CQSZACIVSA-N 1 2 346.431 0.698 20 30 ECEDLO C#CCN(C)C(=O)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000297565352 437009508 /nfs/dbraw/zinc/00/95/08/437009508.db2.gz FDUCKLOVNPZXJV-UHFFFAOYSA-N 1 2 329.400 0.431 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000282394331 437012945 /nfs/dbraw/zinc/01/29/45/437012945.db2.gz YDFBCWITXRVGLW-QWHCGFSZSA-N 1 2 340.453 0.187 20 30 ECEDLO C=C1CC[NH+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)CC1 ZINC000264501594 437038390 /nfs/dbraw/zinc/03/83/90/437038390.db2.gz VNFRFLZGECBTDO-UHFFFAOYSA-N 1 2 334.420 0.620 20 30 ECEDLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000264782942 437084037 /nfs/dbraw/zinc/08/40/37/437084037.db2.gz VEPBQYMSFZGLOV-LBPRGKRZSA-N 1 2 342.852 0.736 20 30 ECEDLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000264782942 437084039 /nfs/dbraw/zinc/08/40/39/437084039.db2.gz VEPBQYMSFZGLOV-LBPRGKRZSA-N 1 2 342.852 0.736 20 30 ECEDLO N#C[C@H]1CN(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CCO1 ZINC000336950489 303169491 /nfs/dbraw/zinc/16/94/91/303169491.db2.gz SYXQINMOECVXAO-RYUDHWBXSA-N 1 2 325.394 0.406 20 30 ECEDLO C=CCSCCNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000286499782 437093216 /nfs/dbraw/zinc/09/32/16/437093216.db2.gz NIMQDBMRLQYRAX-CYBMUJFWSA-N 1 2 334.445 0.812 20 30 ECEDLO C=CCNC(=O)c1ccc(N2CC[NH+](CC(=O)NC3CC3)CC2)nc1 ZINC000264867763 437099733 /nfs/dbraw/zinc/09/97/33/437099733.db2.gz MFSKAEUSJXFWKR-UHFFFAOYSA-N 1 2 343.431 0.398 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)n(C)c2C)CC1 ZINC000264966419 437100772 /nfs/dbraw/zinc/10/07/72/437100772.db2.gz GAIXWWFQIMTDGU-UHFFFAOYSA-N 1 2 330.432 0.539 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)n(C)c2C)CC1 ZINC000264966419 437100775 /nfs/dbraw/zinc/10/07/75/437100775.db2.gz GAIXWWFQIMTDGU-UHFFFAOYSA-N 1 2 330.432 0.539 20 30 ECEDLO C=CCNC(=O)c1ccc(N2CC[NH+](CC(=O)NC(C)C)CC2)nc1 ZINC000264910814 437101000 /nfs/dbraw/zinc/10/10/00/437101000.db2.gz TZUWYPSFYRLXHC-UHFFFAOYSA-N 1 2 345.447 0.644 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000331474483 437102577 /nfs/dbraw/zinc/10/25/77/437102577.db2.gz MODKWBFDWSHSTN-OCCSQVGLSA-N 1 2 330.454 0.166 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000331474483 437102578 /nfs/dbraw/zinc/10/25/78/437102578.db2.gz MODKWBFDWSHSTN-OCCSQVGLSA-N 1 2 330.454 0.166 20 30 ECEDLO Cc1onc(CC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)c1C#N ZINC000331755814 437154580 /nfs/dbraw/zinc/15/45/80/437154580.db2.gz BWRZAKHYCWMKTI-CQSZACIVSA-N 1 2 328.376 0.646 20 30 ECEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)c1ccc(C#N)o1 ZINC000287121257 437162098 /nfs/dbraw/zinc/16/20/98/437162098.db2.gz AKBQOFXWMMHAPL-UHFFFAOYSA-N 1 2 327.406 0.883 20 30 ECEDLO CN(CC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)c1ccc(C#N)o1 ZINC000287121257 437162102 /nfs/dbraw/zinc/16/21/02/437162102.db2.gz AKBQOFXWMMHAPL-UHFFFAOYSA-N 1 2 327.406 0.883 20 30 ECEDLO CNC(=O)N[C@H]1CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000331534972 437114567 /nfs/dbraw/zinc/11/45/67/437114567.db2.gz HALNGOIZVJMCBB-ZFWWWQNUSA-N 1 2 327.388 0.667 20 30 ECEDLO CNC(=O)N[C@H]1CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000331534972 437114569 /nfs/dbraw/zinc/11/45/69/437114569.db2.gz HALNGOIZVJMCBB-ZFWWWQNUSA-N 1 2 327.388 0.667 20 30 ECEDLO C=CC[C@H](CO)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000302136068 437139544 /nfs/dbraw/zinc/13/95/44/437139544.db2.gz MLDQCFXJHQIWAC-CYBMUJFWSA-N 1 2 340.449 0.367 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(c2nc(Cl)c(C#N)s2)CC1 ZINC000287455947 437191848 /nfs/dbraw/zinc/19/18/48/437191848.db2.gz RUOFUUPVBFJFOC-UHFFFAOYSA-N 1 2 337.836 0.930 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2nc(Cl)c(C#N)s2)CC1 ZINC000287455947 437191853 /nfs/dbraw/zinc/19/18/53/437191853.db2.gz RUOFUUPVBFJFOC-UHFFFAOYSA-N 1 2 337.836 0.930 20 30 ECEDLO COCCOCC[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000319037294 437199795 /nfs/dbraw/zinc/19/97/95/437199795.db2.gz AQVGREQYDNAFPM-UHFFFAOYSA-N 1 2 326.418 0.927 20 30 ECEDLO COCCOCC[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000319037294 437199801 /nfs/dbraw/zinc/19/98/01/437199801.db2.gz AQVGREQYDNAFPM-UHFFFAOYSA-N 1 2 326.418 0.927 20 30 ECEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000287576267 437207645 /nfs/dbraw/zinc/20/76/45/437207645.db2.gz YBSRKLXBSXACJQ-AWEZNQCLSA-N 1 2 339.417 0.883 20 30 ECEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000287576267 437207650 /nfs/dbraw/zinc/20/76/50/437207650.db2.gz YBSRKLXBSXACJQ-AWEZNQCLSA-N 1 2 339.417 0.883 20 30 ECEDLO O=C(CCn1cc[nH+]c1)NCCS(=O)(=O)N1CCSCC1 ZINC000328840636 437270211 /nfs/dbraw/zinc/27/02/11/437270211.db2.gz UPDPVDGABZPCJG-UHFFFAOYSA-N 1 2 332.451 0.608 20 30 ECEDLO CO[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)C1(C)C ZINC000332448084 437225275 /nfs/dbraw/zinc/22/52/75/437225275.db2.gz GHTZUSFSIIRZIF-QWHCGFSZSA-N 1 2 336.436 0.362 20 30 ECEDLO COc1cc(C#N)ccc1OCCN1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000266865925 437258368 /nfs/dbraw/zinc/25/83/68/437258368.db2.gz MYJKTJCFWXKFOL-UHFFFAOYSA-N 1 2 346.431 0.827 20 30 ECEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(C(C)(C)C(N)=O)CC1 ZINC000266865925 437258371 /nfs/dbraw/zinc/25/83/71/437258371.db2.gz MYJKTJCFWXKFOL-UHFFFAOYSA-N 1 2 346.431 0.827 20 30 ECEDLO C=CCN(C(=O)C[N@@H+](C)[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 ZINC000328795762 437264818 /nfs/dbraw/zinc/26/48/18/437264818.db2.gz COHITLLRTOSIKS-QWHCGFSZSA-N 1 2 332.491 0.625 20 30 ECEDLO C=CCN(C(=O)C[N@H+](C)[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 ZINC000328795762 437264823 /nfs/dbraw/zinc/26/48/23/437264823.db2.gz COHITLLRTOSIKS-QWHCGFSZSA-N 1 2 332.491 0.625 20 30 ECEDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCCS(=O)(=O)CC1 ZINC000329020628 437305065 /nfs/dbraw/zinc/30/50/65/437305065.db2.gz SMZMMGSXCZVTRX-ZDUSSCGKSA-N 1 2 338.433 0.695 20 30 ECEDLO C[C@@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)n1cnc(C#N)n1 ZINC000336886324 437306580 /nfs/dbraw/zinc/30/65/80/437306580.db2.gz JZBMNUXCPVDCMO-LBPRGKRZSA-N 1 2 325.376 0.891 20 30 ECEDLO C=CCNC(=O)CNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000181182190 437312693 /nfs/dbraw/zinc/31/26/93/437312693.db2.gz HNQJMAYASJKCQI-UHFFFAOYSA-N 1 2 346.431 0.695 20 30 ECEDLO Cc1ccc2[nH+]c(CNS(=O)(=O)N3CCO[C@@H](C#N)C3)cn2c1 ZINC000336927816 437313187 /nfs/dbraw/zinc/31/31/87/437313187.db2.gz XARQWCVDKSLTII-ZDUSSCGKSA-N 1 2 335.389 0.202 20 30 ECEDLO Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000329099174 437316509 /nfs/dbraw/zinc/31/65/09/437316509.db2.gz YYZJEAPQBCEGLG-MJBXVCDLSA-N 1 2 334.424 0.740 20 30 ECEDLO Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000329099174 437316511 /nfs/dbraw/zinc/31/65/11/437316511.db2.gz YYZJEAPQBCEGLG-MJBXVCDLSA-N 1 2 334.424 0.740 20 30 ECEDLO N#CCC1(CS(=O)(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000333461981 437270712 /nfs/dbraw/zinc/27/07/12/437270712.db2.gz UUYBEIYVCHQWBD-AWEZNQCLSA-N 1 2 327.450 0.807 20 30 ECEDLO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)[C@@H]1OC ZINC000328857114 437272882 /nfs/dbraw/zinc/27/28/82/437272882.db2.gz DDKTXNJIHCYDEL-ZQNQSHIBSA-N 1 2 327.425 0.498 20 30 ECEDLO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)[C@@H]1OC ZINC000328857114 437272884 /nfs/dbraw/zinc/27/28/84/437272884.db2.gz DDKTXNJIHCYDEL-ZQNQSHIBSA-N 1 2 327.425 0.498 20 30 ECEDLO C#CCNC(=O)[C@@H](C)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000267078421 437286545 /nfs/dbraw/zinc/28/65/45/437286545.db2.gz XKGSVGQVYXSPNZ-OAHLLOKOSA-N 1 2 345.443 0.959 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2cc(OC)cc(OC)c2)CC1 ZINC000267078421 437286551 /nfs/dbraw/zinc/28/65/51/437286551.db2.gz XKGSVGQVYXSPNZ-OAHLLOKOSA-N 1 2 345.443 0.959 20 30 ECEDLO Cc1cc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)nn1CCC#N ZINC000328936947 437288743 /nfs/dbraw/zinc/28/87/43/437288743.db2.gz CTQOGXZJHOOEQU-KBPBESRZSA-N 1 2 332.408 1.042 20 30 ECEDLO Cc1cc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)nn1CCC#N ZINC000328936947 437288746 /nfs/dbraw/zinc/28/87/46/437288746.db2.gz CTQOGXZJHOOEQU-KBPBESRZSA-N 1 2 332.408 1.042 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)/C=C/c2ccccc2C#N)CC1 ZINC000267136711 437296524 /nfs/dbraw/zinc/29/65/24/437296524.db2.gz MXJVATSBATWPSI-BQYQJAHWSA-N 1 2 326.400 0.980 20 30 ECEDLO CS(=O)(=O)N1CC[C@@H](CNC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000329313140 437351998 /nfs/dbraw/zinc/35/19/98/437351998.db2.gz DANMDUFRVLAWIE-ZDUSSCGKSA-N 1 2 345.465 0.479 20 30 ECEDLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000329367282 437357972 /nfs/dbraw/zinc/35/79/72/437357972.db2.gz HIXZYNJQYPNCCC-TZMCWYRMSA-N 1 2 345.465 0.620 20 30 ECEDLO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000329367282 437357976 /nfs/dbraw/zinc/35/79/76/437357976.db2.gz HIXZYNJQYPNCCC-TZMCWYRMSA-N 1 2 345.465 0.620 20 30 ECEDLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000329367281 437357999 /nfs/dbraw/zinc/35/79/99/437357999.db2.gz HIXZYNJQYPNCCC-OCCSQVGLSA-N 1 2 345.465 0.620 20 30 ECEDLO C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000329367281 437358002 /nfs/dbraw/zinc/35/80/02/437358002.db2.gz HIXZYNJQYPNCCC-OCCSQVGLSA-N 1 2 345.465 0.620 20 30 ECEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCc3cc(C)nn3C)C2)CC1 ZINC000329496961 437375839 /nfs/dbraw/zinc/37/58/39/437375839.db2.gz JFTGFHORBPANGE-OAHLLOKOSA-N 1 2 334.468 0.854 20 30 ECEDLO O=C(CCNC(=O)C1([NH+]2CCOCC2)CCC1)N1CCOCC1 ZINC000329126437 437323161 /nfs/dbraw/zinc/32/31/61/437323161.db2.gz UHAXFTRGNDIGCY-UHFFFAOYSA-N 1 2 325.409 0.447 20 30 ECEDLO CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc4[nH]nnc4c3)CC2)C1=O ZINC000329154324 437326142 /nfs/dbraw/zinc/32/61/42/437326142.db2.gz BYNLRRBBAJOQNK-HNNXBMFYSA-N 1 2 342.403 0.958 20 30 ECEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCc3cc(C)nn3C)C2)CC1 ZINC000329496959 437376162 /nfs/dbraw/zinc/37/61/62/437376162.db2.gz JFTGFHORBPANGE-HNNXBMFYSA-N 1 2 334.468 0.854 20 30 ECEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CCCn2ncnc21 ZINC000329235448 437339329 /nfs/dbraw/zinc/33/93/29/437339329.db2.gz NMQJJGZAVAXAPA-HZSPNIEDSA-N 1 2 334.424 0.822 20 30 ECEDLO O=C(N[C@@H]1CCCOC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329710181 437404014 /nfs/dbraw/zinc/40/40/14/437404014.db2.gz MAFWPHQZWTVWFK-ZIAGYGMSSA-N 1 2 325.409 0.303 20 30 ECEDLO C[C@@H]1OCC[C@]1(C)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329750191 437409785 /nfs/dbraw/zinc/40/97/85/437409785.db2.gz HZCXCSACRZIZFP-VBQJREDUSA-N 1 2 339.436 0.691 20 30 ECEDLO Nc1nsc(N2CCN(C([O-])=[NH+][C@@H]3CCc4[nH]c[nH+]c4C3)CC2)n1 ZINC000329757747 437410308 /nfs/dbraw/zinc/41/03/08/437410308.db2.gz ZONWBUBXBVCTHI-SECBINFHSA-N 1 2 348.436 0.437 20 30 ECEDLO Nc1nsc(N2CCN(C([O-])=[NH+][C@@H]3CCc4[nH+]c[nH]c4C3)CC2)n1 ZINC000329757747 437410311 /nfs/dbraw/zinc/41/03/11/437410311.db2.gz ZONWBUBXBVCTHI-SECBINFHSA-N 1 2 348.436 0.437 20 30 ECEDLO CC(=O)N1CC[C@@H](NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000329916072 437431560 /nfs/dbraw/zinc/43/15/60/437431560.db2.gz QBMBXMKPYGNIIX-OAHLLOKOSA-N 1 2 347.419 0.543 20 30 ECEDLO Cc1nsc(N2CC[NH+](CCCS(N)(=O)=O)CC2)c1C#N ZINC000289482686 437415666 /nfs/dbraw/zinc/41/56/66/437415666.db2.gz OICGADPHNBKODU-UHFFFAOYSA-N 1 2 329.451 0.124 20 30 ECEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCN3CCOC[C@H]3C1)CCC2 ZINC000329810680 437416037 /nfs/dbraw/zinc/41/60/37/437416037.db2.gz CLXOFROKEAGDTR-LSDHHAIUSA-N 1 2 333.436 0.999 20 30 ECEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](c3nc(=O)[nH][nH]3)C2)c(C#N)c1C ZINC000289561031 437423652 /nfs/dbraw/zinc/42/36/52/437423652.db2.gz XUERSMIBOALGDW-NSHDSACASA-N 1 2 344.375 0.998 20 30 ECEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](c3nc(=O)[nH][nH]3)C2)c(C#N)c1C ZINC000289561031 437423654 /nfs/dbraw/zinc/42/36/54/437423654.db2.gz XUERSMIBOALGDW-NSHDSACASA-N 1 2 344.375 0.998 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC000289100272 437380532 /nfs/dbraw/zinc/38/05/32/437380532.db2.gz HGYKGYGHBCYWLV-ZIAGYGMSSA-N 1 2 337.445 0.775 20 30 ECEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC000289100272 437380537 /nfs/dbraw/zinc/38/05/37/437380537.db2.gz HGYKGYGHBCYWLV-ZIAGYGMSSA-N 1 2 337.445 0.775 20 30 ECEDLO C[C@H](NC(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000329624985 437393281 /nfs/dbraw/zinc/39/32/81/437393281.db2.gz VCELYQDSYGFCQD-LRXJEZSFSA-N 1 2 331.482 0.851 20 30 ECEDLO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CC1)C(=O)N1CCS(=O)(=O)CC1 ZINC000330247758 437474659 /nfs/dbraw/zinc/47/46/59/437474659.db2.gz YZFAIVCTHIHHIT-AAEUAGOBSA-N 1 2 343.449 0.215 20 30 ECEDLO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CC1)C(=O)N1CCS(=O)(=O)CC1 ZINC000330247758 437474661 /nfs/dbraw/zinc/47/46/61/437474661.db2.gz YZFAIVCTHIHHIT-AAEUAGOBSA-N 1 2 343.449 0.215 20 30 ECEDLO CN1C(=O)COc2ccc(NC(=O)N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)cc21 ZINC000329949089 437435823 /nfs/dbraw/zinc/43/58/23/437435823.db2.gz ZOVDTPMDMMAEFS-ZFWWWQNUSA-N 1 2 346.387 0.602 20 30 ECEDLO CN1C(=O)COc2ccc(NC(=O)N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)cc21 ZINC000329949089 437435824 /nfs/dbraw/zinc/43/58/24/437435824.db2.gz ZOVDTPMDMMAEFS-ZFWWWQNUSA-N 1 2 346.387 0.602 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@H]1CNS(C)(=O)=O ZINC000339070620 437439904 /nfs/dbraw/zinc/43/99/04/437439904.db2.gz CDEUBUDUQVSJQU-KBPBESRZSA-N 1 2 344.481 0.398 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCC[C@H]1CNS(C)(=O)=O ZINC000339070620 437439907 /nfs/dbraw/zinc/43/99/07/437439907.db2.gz CDEUBUDUQVSJQU-KBPBESRZSA-N 1 2 344.481 0.398 20 30 ECEDLO CCN1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C[C@@H]1c1ncc[nH]1 ZINC000329975001 437440428 /nfs/dbraw/zinc/44/04/28/437440428.db2.gz XWWRRYCDZHGFLD-ZIAGYGMSSA-N 1 2 336.440 0.333 20 30 ECEDLO CCN1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1c1ncc[nH]1 ZINC000329975001 437440430 /nfs/dbraw/zinc/44/04/30/437440430.db2.gz XWWRRYCDZHGFLD-ZIAGYGMSSA-N 1 2 336.440 0.333 20 30 ECEDLO CC(=O)N1CCC[C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000329998734 437443467 /nfs/dbraw/zinc/44/34/67/437443467.db2.gz SUYWVVSZNHRKKY-IIAWOOMASA-N 1 2 340.468 0.858 20 30 ECEDLO C#Cc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)c1 ZINC000289909944 437447598 /nfs/dbraw/zinc/44/75/98/437447598.db2.gz AIWQRYKLHDHMII-RHSMWYFYSA-N 1 2 341.411 0.928 20 30 ECEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)N1C[C@@H](O)C[C@H]1CO)C2 ZINC000330087017 437451957 /nfs/dbraw/zinc/45/19/57/437451957.db2.gz SOGVFLFWHYSDHW-AVGNSLFASA-N 1 2 336.436 0.837 20 30 ECEDLO Cn1nc(CCNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)c2ccccc21 ZINC000330093441 437453406 /nfs/dbraw/zinc/45/34/06/437453406.db2.gz RNNWMRGYZJRQPX-CQSZACIVSA-N 1 2 344.463 0.865 20 30 ECEDLO Cn1nc(CCNC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)c2ccccc21 ZINC000330093441 437453413 /nfs/dbraw/zinc/45/34/13/437453413.db2.gz RNNWMRGYZJRQPX-CQSZACIVSA-N 1 2 344.463 0.865 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCO[C@@H](C3CC3)C2)CC1 ZINC000330111414 437455525 /nfs/dbraw/zinc/45/55/25/437455525.db2.gz BANRUEAJHKHJRY-DLBZAZTESA-N 1 2 334.464 0.790 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCO[C@@H](C3CC3)C2)CC1 ZINC000330111414 437455528 /nfs/dbraw/zinc/45/55/28/437455528.db2.gz BANRUEAJHKHJRY-DLBZAZTESA-N 1 2 334.464 0.790 20 30 ECEDLO COC[C@H](C(N)=O)[N@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000339352831 437460682 /nfs/dbraw/zinc/46/06/82/437460682.db2.gz DLTUFVADMCMIQS-LSDHHAIUSA-N 1 2 330.388 0.486 20 30 ECEDLO COC[C@H](C(N)=O)[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000339352831 437460684 /nfs/dbraw/zinc/46/06/84/437460684.db2.gz DLTUFVADMCMIQS-LSDHHAIUSA-N 1 2 330.388 0.486 20 30 ECEDLO COCC1(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CCOCC1 ZINC000330205334 437469359 /nfs/dbraw/zinc/46/93/59/437469359.db2.gz DJGIEDQAYYRHMS-KGLIPLIRSA-N 1 2 327.425 0.358 20 30 ECEDLO COCC1(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CCOCC1 ZINC000330205334 437469364 /nfs/dbraw/zinc/46/93/64/437469364.db2.gz DJGIEDQAYYRHMS-KGLIPLIRSA-N 1 2 327.425 0.358 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000330370930 437494538 /nfs/dbraw/zinc/49/45/38/437494538.db2.gz HCJSCHSBHBBYTF-MELADBBJSA-N 1 2 332.470 0.412 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000330370930 437494542 /nfs/dbraw/zinc/49/45/42/437494542.db2.gz HCJSCHSBHBBYTF-MELADBBJSA-N 1 2 332.470 0.412 20 30 ECEDLO CC(C)[C@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)[NH+]1CCOCC1 ZINC000330379913 437496243 /nfs/dbraw/zinc/49/62/43/437496243.db2.gz UCDUPHSXIVJJGY-KGLIPLIRSA-N 1 2 332.470 0.269 20 30 ECEDLO C=CCNC(=O)CN1CC[N@H+](CC(=O)NCC=C)[C@H]2CCCC[C@@H]21 ZINC000339734400 437501636 /nfs/dbraw/zinc/50/16/36/437501636.db2.gz SWSDMXWACWOCPG-HOTGVXAUSA-N 1 2 334.464 0.520 20 30 ECEDLO C=CCNC(=O)CN1CC[N@@H+](CC(=O)NCC=C)[C@H]2CCCC[C@@H]21 ZINC000339734400 437501640 /nfs/dbraw/zinc/50/16/40/437501640.db2.gz SWSDMXWACWOCPG-HOTGVXAUSA-N 1 2 334.464 0.520 20 30 ECEDLO CC(C)OCC[NH+]1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1 ZINC000330418655 437506352 /nfs/dbraw/zinc/50/63/52/437506352.db2.gz PWJWXDPYEIEJGH-CQSZACIVSA-N 1 2 332.470 0.508 20 30 ECEDLO C=C(C)CN(C)C(=O)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000343162757 437520166 /nfs/dbraw/zinc/52/01/66/437520166.db2.gz SDZDJEMELOCCHT-INIZCTEOSA-N 1 2 341.477 0.345 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CC[N@@H+]1CC(C)(C)O ZINC000188804836 437571633 /nfs/dbraw/zinc/57/16/33/437571633.db2.gz PAGKTEKYBNFTSU-GFCCVEGCSA-N 1 2 338.433 0.419 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CC[N@H+]1CC(C)(C)O ZINC000188804836 437571637 /nfs/dbraw/zinc/57/16/37/437571637.db2.gz PAGKTEKYBNFTSU-GFCCVEGCSA-N 1 2 338.433 0.419 20 30 ECEDLO CC[C@](C)(O)CNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330884390 437642508 /nfs/dbraw/zinc/64/25/08/437642508.db2.gz KSBSICLSDNLWOM-KRWDZBQOSA-N 1 2 349.435 0.956 20 30 ECEDLO C[C@@H](O)CCNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330891834 437643813 /nfs/dbraw/zinc/64/38/13/437643813.db2.gz PSMMMCDAHQDFER-GFCCVEGCSA-N 1 2 335.408 0.566 20 30 ECEDLO CC(C)NC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000330959117 437657796 /nfs/dbraw/zinc/65/77/96/437657796.db2.gz DPGJOWBNZIPMQC-GJZGRUSLSA-N 1 2 339.484 0.525 20 30 ECEDLO COC(=O)c1cn([C@@H]2CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)nn1 ZINC000355056451 437666966 /nfs/dbraw/zinc/66/69/66/437666966.db2.gz KKBOJWKYUZOFAP-WBMJQRKESA-N 1 2 348.407 0.366 20 30 ECEDLO COC(=O)c1cn([C@@H]2CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)nn1 ZINC000355056451 437666973 /nfs/dbraw/zinc/66/69/73/437666973.db2.gz KKBOJWKYUZOFAP-WBMJQRKESA-N 1 2 348.407 0.366 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)NCC(C)(C)C#N)C1=O ZINC000355106024 437670858 /nfs/dbraw/zinc/67/08/58/437670858.db2.gz SROYXESNSJNFEA-GFCCVEGCSA-N 1 2 332.408 0.760 20 30 ECEDLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)CC2(C#N)CC2)[C@@H](C)C1 ZINC000361812778 437689931 /nfs/dbraw/zinc/68/99/31/437689931.db2.gz IWINKCHJQWYJFC-LBPRGKRZSA-N 1 2 329.422 0.189 20 30 ECEDLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)CC2(C#N)CC2)[C@@H](C)C1 ZINC000361812778 437689936 /nfs/dbraw/zinc/68/99/36/437689936.db2.gz IWINKCHJQWYJFC-LBPRGKRZSA-N 1 2 329.422 0.189 20 30 ECEDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000292413348 437687982 /nfs/dbraw/zinc/68/79/82/437687982.db2.gz UPPQAMBRBQWHDO-CQSZACIVSA-N 1 2 344.371 0.250 20 30 ECEDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000292413348 437687989 /nfs/dbraw/zinc/68/79/89/437687989.db2.gz UPPQAMBRBQWHDO-CQSZACIVSA-N 1 2 344.371 0.250 20 30 ECEDLO CC(C)OCC[NH+]1CCN(S(=O)(=O)c2cccnc2C#N)CC1 ZINC000331187508 437711068 /nfs/dbraw/zinc/71/10/68/437711068.db2.gz UCIKPAKQIUTGHG-UHFFFAOYSA-N 1 2 338.433 0.685 20 30 ECEDLO COCCNC(=O)CN1CC[NH+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000362958057 437763716 /nfs/dbraw/zinc/76/37/16/437763716.db2.gz MXNSUIMWEWAUBY-UHFFFAOYSA-N 1 2 330.432 0.747 20 30 ECEDLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCCS(C)(=O)=O ZINC000331225155 437722264 /nfs/dbraw/zinc/72/22/64/437722264.db2.gz MNNUFXMXRUNBAK-GFCCVEGCSA-N 1 2 335.470 0.112 20 30 ECEDLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCCS(C)(=O)=O ZINC000331225155 437722266 /nfs/dbraw/zinc/72/22/66/437722266.db2.gz MNNUFXMXRUNBAK-GFCCVEGCSA-N 1 2 335.470 0.112 20 30 ECEDLO CC(C)(CC#N)CS(=O)(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000331327420 437740681 /nfs/dbraw/zinc/74/06/81/437740681.db2.gz NHAILVMSCJSFOG-UHFFFAOYSA-N 1 2 325.438 0.797 20 30 ECEDLO C=CCCC1(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000356119209 437749042 /nfs/dbraw/zinc/74/90/42/437749042.db2.gz RPVKLSOEQRLCKX-OAHLLOKOSA-N 1 2 335.448 0.782 20 30 ECEDLO C[C@H](NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)[C@H](C)[NH+]1CCOCC1 ZINC000362731263 437752060 /nfs/dbraw/zinc/75/20/60/437752060.db2.gz NZFBUAYROUKCRU-OFQRWUPVSA-N 1 2 335.452 0.477 20 30 ECEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCC[NH+]1CCOCC1 ZINC000356214330 437754380 /nfs/dbraw/zinc/75/43/80/437754380.db2.gz IPMJEADNLQNHLQ-MRXNPFEDSA-N 1 2 325.409 0.696 20 30 ECEDLO COC(=O)CN(CC#N)C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000362808219 437755162 /nfs/dbraw/zinc/75/51/62/437755162.db2.gz YILUIMMAXFGSRB-CYBMUJFWSA-N 1 2 349.391 0.008 20 30 ECEDLO COC(=O)CN(CC#N)C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000362808219 437755163 /nfs/dbraw/zinc/75/51/63/437755163.db2.gz YILUIMMAXFGSRB-CYBMUJFWSA-N 1 2 349.391 0.008 20 30 ECEDLO C=C[C@](C)(CCOC)C(=O)N1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000364843734 437823672 /nfs/dbraw/zinc/82/36/72/437823672.db2.gz YTBLSQCMRMVPRG-GOSISDBHSA-N 1 2 337.464 0.980 20 30 ECEDLO C=C[C@](C)(CCOC)C(=O)N1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000364843734 437823675 /nfs/dbraw/zinc/82/36/75/437823675.db2.gz YTBLSQCMRMVPRG-GOSISDBHSA-N 1 2 337.464 0.980 20 30 ECEDLO CCN(CC)C(=O)C[NH+]1CCN(CC(=O)NC2(C#N)CCC2)CC1 ZINC000346885026 437823999 /nfs/dbraw/zinc/82/39/99/437823999.db2.gz NESWXMUQCKNCKT-UHFFFAOYSA-N 1 2 335.452 0.035 20 30 ECEDLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)c1ncc(C#N)cc1Cl ZINC000344976584 437777406 /nfs/dbraw/zinc/77/74/06/437777406.db2.gz QVNGBMKIGFUURS-LLVKDONJSA-N 1 2 333.735 0.844 20 30 ECEDLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)c1ncc(C#N)cc1Cl ZINC000344976584 437777412 /nfs/dbraw/zinc/77/74/12/437777412.db2.gz QVNGBMKIGFUURS-LLVKDONJSA-N 1 2 333.735 0.844 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 ZINC000356614026 437796698 /nfs/dbraw/zinc/79/66/98/437796698.db2.gz SLHPGVXKIWAWLD-INIZCTEOSA-N 1 2 329.448 0.865 20 30 ECEDLO C[C@H](OC[C@H]1CCCO1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000346498038 437810954 /nfs/dbraw/zinc/81/09/54/437810954.db2.gz CEYQRLNYGOPDIU-JKSUJKDBSA-N 1 2 339.436 0.645 20 30 ECEDLO C=CC[C@H](CO)NC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000346431932 437811450 /nfs/dbraw/zinc/81/14/50/437811450.db2.gz OPXGHYBQZNEBPU-OLZOCXBDSA-N 1 2 335.408 0.147 20 30 ECEDLO CN(C(=O)C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)C1(C#N)CCCCC1 ZINC000365004986 437843499 /nfs/dbraw/zinc/84/34/99/437843499.db2.gz VIXKXLNTSNBLSM-QGZVFWFLSA-N 1 2 347.419 0.345 20 30 ECEDLO CN(C(=O)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O)C1(C#N)CCCCC1 ZINC000365004986 437843503 /nfs/dbraw/zinc/84/35/03/437843503.db2.gz VIXKXLNTSNBLSM-QGZVFWFLSA-N 1 2 347.419 0.345 20 30 ECEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000341521232 437857787 /nfs/dbraw/zinc/85/77/87/437857787.db2.gz BPNVDYHSLSKPOW-ARFHVFGLSA-N 1 2 335.400 0.763 20 30 ECEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000341521232 437857791 /nfs/dbraw/zinc/85/77/91/437857791.db2.gz BPNVDYHSLSKPOW-ARFHVFGLSA-N 1 2 335.400 0.763 20 30 ECEDLO CCN(CC#CC[N@H+](CC)Cc1cn(C)nn1)Cc1cn(C)nn1 ZINC000341911678 437924150 /nfs/dbraw/zinc/92/41/50/437924150.db2.gz USWZTRNSGBJZDV-UHFFFAOYSA-N 1 2 330.440 0.291 20 30 ECEDLO CCN(CC#CC[N@@H+](CC)Cc1cn(C)nn1)Cc1cn(C)nn1 ZINC000341911678 437924153 /nfs/dbraw/zinc/92/41/53/437924153.db2.gz USWZTRNSGBJZDV-UHFFFAOYSA-N 1 2 330.440 0.291 20 30 ECEDLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000416668764 437987253 /nfs/dbraw/zinc/98/72/53/437987253.db2.gz RCWYSABPGKKZEU-KBPBESRZSA-N 1 2 337.445 0.775 20 30 ECEDLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000416668764 437987256 /nfs/dbraw/zinc/98/72/56/437987256.db2.gz RCWYSABPGKKZEU-KBPBESRZSA-N 1 2 337.445 0.775 20 30 ECEDLO 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/nfs/dbraw/zinc/18/44/27/438184427.db2.gz LDXRFFQHMZHSBG-JKSUJKDBSA-N 1 2 335.448 0.733 20 30 ECEDLO C=CCN1CC[C@H](N(C)C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1=O ZINC000374057707 438184432 /nfs/dbraw/zinc/18/44/32/438184432.db2.gz LDXRFFQHMZHSBG-JKSUJKDBSA-N 1 2 335.448 0.733 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000374534144 438216065 /nfs/dbraw/zinc/21/60/65/438216065.db2.gz KYQUFJYPHARDKN-SJORKVTESA-N 1 2 348.491 0.862 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN([C@H]2CCCCNC2=O)CC1 ZINC000374534144 438216068 /nfs/dbraw/zinc/21/60/68/438216068.db2.gz KYQUFJYPHARDKN-SJORKVTESA-N 1 2 348.491 0.862 20 30 ECEDLO CN1CCN(C(=O)NC2CC[NH+](Cc3cscn3)CC2)C[C@@H]1C#N ZINC000375229289 438243936 /nfs/dbraw/zinc/24/39/36/438243936.db2.gz MTFFGRPFRAPVHO-HNNXBMFYSA-N 1 2 348.476 0.957 20 30 ECEDLO CN(C(=O)C[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1)C1(C#N)CCCCC1 ZINC000377392143 438309060 /nfs/dbraw/zinc/30/90/60/438309060.db2.gz OJEZRFHJMQWWCT-ZIAGYGMSSA-N 1 2 334.420 0.261 20 30 ECEDLO CN(C(=O)C[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1)C1(C#N)CCCCC1 ZINC000377392143 438309064 /nfs/dbraw/zinc/30/90/64/438309064.db2.gz OJEZRFHJMQWWCT-ZIAGYGMSSA-N 1 2 334.420 0.261 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000368634079 438357180 /nfs/dbraw/zinc/35/71/80/438357180.db2.gz CNSVUZJFXBHDCI-CYBMUJFWSA-N 1 2 329.360 0.418 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000368634079 438357183 /nfs/dbraw/zinc/35/71/83/438357183.db2.gz CNSVUZJFXBHDCI-CYBMUJFWSA-N 1 2 329.360 0.418 20 30 ECEDLO N#Cc1cccc2c1CCN2S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000420725481 438429660 /nfs/dbraw/zinc/42/96/60/438429660.db2.gz MAGQPVAHFKCCQS-UHFFFAOYSA-N 1 2 335.429 0.973 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000408005844 438484771 /nfs/dbraw/zinc/48/47/71/438484771.db2.gz SUQOVAUFKLAVFC-RYUDHWBXSA-N 1 2 328.438 0.080 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000408005844 438484775 /nfs/dbraw/zinc/48/47/75/438484775.db2.gz SUQOVAUFKLAVFC-RYUDHWBXSA-N 1 2 328.438 0.080 20 30 ECEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H](C)CC#N ZINC000438883267 438489469 /nfs/dbraw/zinc/48/94/69/438489469.db2.gz OUGAUAABHCBQAZ-NSHDSACASA-N 1 2 331.376 0.584 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000352571426 438445845 /nfs/dbraw/zinc/44/58/45/438445845.db2.gz UVYDRBTVCKIYQL-STQMWFEESA-N 1 2 330.454 0.103 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000352571426 438445849 /nfs/dbraw/zinc/44/58/49/438445849.db2.gz UVYDRBTVCKIYQL-STQMWFEESA-N 1 2 330.454 0.103 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000353777592 438533397 /nfs/dbraw/zinc/53/33/97/438533397.db2.gz LBTHYTZDDPWCHN-GOSISDBHSA-N 1 2 346.431 0.564 20 30 ECEDLO COC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000370015249 438540056 /nfs/dbraw/zinc/54/00/56/438540056.db2.gz CBETUHJZQXOQMQ-UHFFFAOYSA-N 1 2 345.399 0.839 20 30 ECEDLO COC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000370015249 438540058 /nfs/dbraw/zinc/54/00/58/438540058.db2.gz CBETUHJZQXOQMQ-UHFFFAOYSA-N 1 2 345.399 0.839 20 30 ECEDLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000440267512 438540484 /nfs/dbraw/zinc/54/04/84/438540484.db2.gz DYMIIOSRHRGUHR-NSHDSACASA-N 1 2 332.408 0.611 20 30 ECEDLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000440267512 438540487 /nfs/dbraw/zinc/54/04/87/438540487.db2.gz DYMIIOSRHRGUHR-NSHDSACASA-N 1 2 332.408 0.611 20 30 ECEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000444700227 438664054 /nfs/dbraw/zinc/66/40/54/438664054.db2.gz FRIJQVQSFRWDMZ-XBFCOCLRSA-N 1 2 335.429 0.914 20 30 ECEDLO N#C[C@@H](CCc1ccccc1)C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000450257454 438691216 /nfs/dbraw/zinc/69/12/16/438691216.db2.gz VSSORPUCTSFWIG-GOSISDBHSA-N 1 2 345.443 0.912 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(C(C)(C)C(=O)OC)CC1 ZINC000494416340 438691939 /nfs/dbraw/zinc/69/19/39/438691939.db2.gz TUYIPBZBJVOIIA-UHFFFAOYSA-N 1 2 325.453 0.980 20 30 ECEDLO CN(C)c1noc([C@H]2CCC[N@H+](CC(=O)NC3(C#N)CCC3)C2)n1 ZINC000548924479 438734967 /nfs/dbraw/zinc/73/49/67/438734967.db2.gz SRRWSCNPKPGYRB-LBPRGKRZSA-N 1 2 332.408 0.877 20 30 ECEDLO CN(C)c1noc([C@H]2CCC[N@@H+](CC(=O)NC3(C#N)CCC3)C2)n1 ZINC000548924479 438734969 /nfs/dbraw/zinc/73/49/69/438734969.db2.gz SRRWSCNPKPGYRB-LBPRGKRZSA-N 1 2 332.408 0.877 20 30 ECEDLO CC#CCN(C)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000455068549 438736382 /nfs/dbraw/zinc/73/63/82/438736382.db2.gz GANYUJYAZXGQLR-UHFFFAOYSA-N 1 2 329.404 0.956 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(-c3cccnc3)n2C)CC1 ZINC000554612925 438767556 /nfs/dbraw/zinc/76/75/56/438767556.db2.gz DQLXCANRYRYZLZ-UHFFFAOYSA-N 1 2 341.419 0.301 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(C#N)nc(C3CC3)n2)CC1 ZINC000601101883 438818025 /nfs/dbraw/zinc/81/80/25/438818025.db2.gz ZXQNKZMPFAFVNZ-UHFFFAOYSA-N 1 2 326.404 0.650 20 30 ECEDLO CC[N@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1COC1 ZINC000577340960 438833433 /nfs/dbraw/zinc/83/34/33/438833433.db2.gz XDGRXGPOKKNTAV-UHFFFAOYSA-N 1 2 333.392 0.224 20 30 ECEDLO CC[N@@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1COC1 ZINC000577340960 438833436 /nfs/dbraw/zinc/83/34/36/438833436.db2.gz XDGRXGPOKKNTAV-UHFFFAOYSA-N 1 2 333.392 0.224 20 30 ECEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000588674962 438834393 /nfs/dbraw/zinc/83/43/93/438834393.db2.gz WSBJMBWJXJEELV-QGZVFWFLSA-N 1 2 346.406 0.867 20 30 ECEDLO CN(C)S(=O)(=O)CC[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595630375 438837306 /nfs/dbraw/zinc/83/73/06/438837306.db2.gz VXJBYQSDISJAMH-UHFFFAOYSA-N 1 2 328.463 0.633 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1csc(N2CCCC2=O)n1 ZINC000562322819 438849823 /nfs/dbraw/zinc/84/98/23/438849823.db2.gz QESMHMZEEGWGBV-OAHLLOKOSA-N 1 2 335.433 0.772 20 30 ECEDLO CN(CCC#N)S(=O)(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000601452149 438900470 /nfs/dbraw/zinc/90/04/70/438900470.db2.gz FYMWUCUAXNYCQB-OLZOCXBDSA-N 1 2 330.454 0.166 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000562997738 438857580 /nfs/dbraw/zinc/85/75/80/438857580.db2.gz NPAQGKLZQZYABJ-HOTGVXAUSA-N 1 2 330.432 0.911 20 30 ECEDLO N#Cc1cc(O)cc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)c1 ZINC000589189796 438861389 /nfs/dbraw/zinc/86/13/89/438861389.db2.gz SGYWQVTZTUFURI-QGZVFWFLSA-N 1 2 345.399 0.827 20 30 ECEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(CS(C)(=O)=O)cc1 ZINC000577723220 438864057 /nfs/dbraw/zinc/86/40/57/438864057.db2.gz KVGCTMDDHRZMOO-HNNXBMFYSA-N 1 2 325.434 0.849 20 30 ECEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(CS(C)(=O)=O)cc1 ZINC000577723220 438864060 /nfs/dbraw/zinc/86/40/60/438864060.db2.gz KVGCTMDDHRZMOO-HNNXBMFYSA-N 1 2 325.434 0.849 20 30 ECEDLO N#Cc1cncc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000589285551 438867955 /nfs/dbraw/zinc/86/79/55/438867955.db2.gz YTOMODLDFIQEJM-CABCVRRESA-N 1 2 336.417 0.173 20 30 ECEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@@H](CO)C1 ZINC000601469111 438908617 /nfs/dbraw/zinc/90/86/17/438908617.db2.gz KGLIPTKUEWKNSE-LLVKDONJSA-N 1 2 329.809 0.509 20 30 ECEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@@H](CO)C1 ZINC000601469111 438908624 /nfs/dbraw/zinc/90/86/24/438908624.db2.gz KGLIPTKUEWKNSE-LLVKDONJSA-N 1 2 329.809 0.509 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000601424371 438889067 /nfs/dbraw/zinc/88/90/67/438889067.db2.gz HWKPOXQZHWAJNO-KBPBESRZSA-N 1 2 330.454 0.119 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1nc2ncccc2cc1C#N ZINC000596160659 438935364 /nfs/dbraw/zinc/93/53/64/438935364.db2.gz XKGOSRVHQHPUDE-HNNXBMFYSA-N 1 2 327.388 0.631 20 30 ECEDLO CCc1nc(C#N)cc(N(CC[NH+]2CCOCC2)CC(=O)OC)n1 ZINC000596187228 438937836 /nfs/dbraw/zinc/93/78/36/438937836.db2.gz WYAICDMRPBZCEV-UHFFFAOYSA-N 1 2 333.392 0.222 20 30 ECEDLO N#CCc1ccc(CNC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000516969856 438941231 /nfs/dbraw/zinc/94/12/31/438941231.db2.gz WEEGUWUOKFSXRE-HNNXBMFYSA-N 1 2 337.383 0.697 20 30 ECEDLO N#CCCCNC(=O)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000596555004 438975526 /nfs/dbraw/zinc/97/55/26/438975526.db2.gz OGUPZWWOHJURBD-GOSISDBHSA-N 1 2 346.431 0.853 20 30 ECEDLO N#CCCCNC(=O)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000596555004 438975531 /nfs/dbraw/zinc/97/55/31/438975531.db2.gz OGUPZWWOHJURBD-GOSISDBHSA-N 1 2 346.431 0.853 20 30 ECEDLO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000579081016 438978148 /nfs/dbraw/zinc/97/81/48/438978148.db2.gz RRNDHEWWDVQGAT-IRXDYDNUSA-N 1 2 349.456 0.737 20 30 ECEDLO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000579081016 438978149 /nfs/dbraw/zinc/97/81/49/438978149.db2.gz RRNDHEWWDVQGAT-IRXDYDNUSA-N 1 2 349.456 0.737 20 30 ECEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccc(C#N)nc1)C(C)(C)CO ZINC000566492011 439063831 /nfs/dbraw/zinc/06/38/31/439063831.db2.gz HBBIPHPJOBXKJU-ZDUSSCGKSA-N 1 2 349.416 0.725 20 30 ECEDLO C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)n1nnc(-c2ccccc2)n1 ZINC000566306194 439037713 /nfs/dbraw/zinc/03/77/13/439037713.db2.gz ITTXUUZNEHYOFY-WBMJQRKESA-N 1 2 327.392 0.861 20 30 ECEDLO N#CC1(CNC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCCCC1 ZINC000597400167 439091828 /nfs/dbraw/zinc/09/18/28/439091828.db2.gz VNSLXUCCXROOKT-HNNXBMFYSA-N 1 2 348.447 0.510 20 30 ECEDLO CC[C@](C)(C#N)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000521115795 439107251 /nfs/dbraw/zinc/10/72/51/439107251.db2.gz FZCXYXCBIBBDGH-WMLDXEAASA-N 1 2 336.436 0.508 20 30 ECEDLO COc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592148872 439166523 /nfs/dbraw/zinc/16/65/23/439166523.db2.gz DGQFTDWFLFCIBP-INIZCTEOSA-N 1 2 332.360 0.694 20 30 ECEDLO COc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592148872 439166525 /nfs/dbraw/zinc/16/65/25/439166525.db2.gz DGQFTDWFLFCIBP-INIZCTEOSA-N 1 2 332.360 0.694 20 30 ECEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000592149728 439168205 /nfs/dbraw/zinc/16/82/05/439168205.db2.gz VHGWCMKXSUQBPU-SFHVURJKSA-N 1 2 339.399 0.839 20 30 ECEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000592149728 439168208 /nfs/dbraw/zinc/16/82/08/439168208.db2.gz VHGWCMKXSUQBPU-SFHVURJKSA-N 1 2 339.399 0.839 20 30 ECEDLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856464 439145517 /nfs/dbraw/zinc/14/55/17/439145517.db2.gz MHALVXBISKPZSE-MELADBBJSA-N 1 2 335.452 0.030 20 30 ECEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC000592147622 439163595 /nfs/dbraw/zinc/16/35/95/439163595.db2.gz MRUBRHRFJDVBJK-DYVFJYSZSA-N 1 2 331.372 0.293 20 30 ECEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC000592147622 439163600 /nfs/dbraw/zinc/16/36/00/439163600.db2.gz MRUBRHRFJDVBJK-DYVFJYSZSA-N 1 2 331.372 0.293 20 30 ECEDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C[C@H](C)N1CC#N ZINC000603097091 439192167 /nfs/dbraw/zinc/19/21/67/439192167.db2.gz CBHAKPNWWLBSBP-BETUJISGSA-N 1 2 325.376 0.721 20 30 ECEDLO C[N@H+](CCO)Cc1cn([C@@H]2CCN(c3sccc3C#N)C2=O)nn1 ZINC000603192404 439208319 /nfs/dbraw/zinc/20/83/19/439208319.db2.gz ILFTYEOWSJZDAU-CYBMUJFWSA-N 1 2 346.416 0.613 20 30 ECEDLO C[N@@H+](CCO)Cc1cn([C@@H]2CCN(c3sccc3C#N)C2=O)nn1 ZINC000603192404 439208324 /nfs/dbraw/zinc/20/83/24/439208324.db2.gz ILFTYEOWSJZDAU-CYBMUJFWSA-N 1 2 346.416 0.613 20 30 ECEDLO CN(Cc1[nH+]ccn1C)C(=O)C(=O)NCc1ccc(CC#N)cc1 ZINC000592342111 439210631 /nfs/dbraw/zinc/21/06/31/439210631.db2.gz LZNQGJKCUKZONZ-UHFFFAOYSA-N 1 2 325.372 0.761 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)CC2)cc1 ZINC000598587411 439282818 /nfs/dbraw/zinc/28/28/18/439282818.db2.gz QCEOMZYFOCHRFE-UHFFFAOYSA-N 1 2 337.383 0.943 20 30 ECEDLO N#Cc1cc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)ccn1 ZINC000526003873 439231861 /nfs/dbraw/zinc/23/18/61/439231861.db2.gz CARPJZNUDJUCMP-UHFFFAOYSA-N 1 2 326.360 0.734 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000581947097 439268733 /nfs/dbraw/zinc/26/87/33/439268733.db2.gz MTYVVYWXKJQBON-OAHLLOKOSA-N 1 2 334.332 0.940 20 30 ECEDLO C#CC[NH+]1CCN(Cn2nc(C3CC3)n(CCC(N)=O)c2=S)CC1 ZINC000490556634 439273190 /nfs/dbraw/zinc/27/31/90/439273190.db2.gz OIVUWDPFUVMUMN-UHFFFAOYSA-N 1 2 348.476 0.375 20 30 ECEDLO C[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000604468286 439316296 /nfs/dbraw/zinc/31/62/96/439316296.db2.gz BXSYTUZCSBKKRN-LSDHHAIUSA-N 1 2 338.429 0.611 20 30 ECEDLO C[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000604468286 439316303 /nfs/dbraw/zinc/31/63/03/439316303.db2.gz BXSYTUZCSBKKRN-LSDHHAIUSA-N 1 2 338.429 0.611 20 30 ECEDLO Cc1nnc(NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)c(C#N)c1C ZINC000528135776 439317338 /nfs/dbraw/zinc/31/73/38/439317338.db2.gz ZNIYQZIUHGTLAH-QGZVFWFLSA-N 1 2 331.420 0.993 20 30 ECEDLO Cc1nnc(NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)c(C#N)c1C ZINC000528135776 439317340 /nfs/dbraw/zinc/31/73/40/439317340.db2.gz ZNIYQZIUHGTLAH-QGZVFWFLSA-N 1 2 331.420 0.993 20 30 ECEDLO C#C[C@H](NC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)C(C)C ZINC000490962082 439317971 /nfs/dbraw/zinc/31/79/71/439317971.db2.gz MDYVRVPGATTXPR-CVEARBPZSA-N 1 2 334.464 0.982 20 30 ECEDLO C#C[C@@H](NC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C(C)C ZINC000490974862 439319256 /nfs/dbraw/zinc/31/92/56/439319256.db2.gz QZOGZNVLDYJUFT-KGLIPLIRSA-N 1 2 331.420 0.868 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000491070373 439328461 /nfs/dbraw/zinc/32/84/61/439328461.db2.gz BHNYHEIHVJZOOC-MRXNPFEDSA-N 1 2 337.370 0.365 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000491070373 439328463 /nfs/dbraw/zinc/32/84/63/439328463.db2.gz BHNYHEIHVJZOOC-MRXNPFEDSA-N 1 2 337.370 0.365 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](Cn2c3cnccc3n(C)c2=O)CC1 ZINC000491118382 439331630 /nfs/dbraw/zinc/33/16/30/439331630.db2.gz DAGMTQJYBOLIFQ-UHFFFAOYSA-N 1 2 327.388 0.154 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c([N+](=O)[O-])c1 ZINC000593028377 439331617 /nfs/dbraw/zinc/33/16/17/439331617.db2.gz CQMRPNIUYMRDSV-OAHLLOKOSA-N 1 2 329.316 0.640 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c([N+](=O)[O-])c1 ZINC000593028377 439331620 /nfs/dbraw/zinc/33/16/20/439331620.db2.gz CQMRPNIUYMRDSV-OAHLLOKOSA-N 1 2 329.316 0.640 20 30 ECEDLO COC[C@@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000528388831 439334134 /nfs/dbraw/zinc/33/41/34/439334134.db2.gz KMOVZFFQLZUVKZ-AWEZNQCLSA-N 1 2 328.368 0.633 20 30 ECEDLO COC[C@@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000528388831 439334140 /nfs/dbraw/zinc/33/41/40/439334140.db2.gz KMOVZFFQLZUVKZ-AWEZNQCLSA-N 1 2 328.368 0.633 20 30 ECEDLO COCC(=O)NC1CC[NH+](CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000603882622 439286826 /nfs/dbraw/zinc/28/68/26/439286826.db2.gz YYCVNRJFZAJVNL-UHFFFAOYSA-N 1 2 348.403 0.934 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(CC(=O)OC)Cc2ccccc2)CC1 ZINC000490760701 439295634 /nfs/dbraw/zinc/29/56/34/439295634.db2.gz OPHDUFNDKWFMPM-UHFFFAOYSA-N 1 2 343.427 0.439 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(C)c(F)cc2C(N)=O)CC1 ZINC000490800015 439299772 /nfs/dbraw/zinc/29/97/72/439299772.db2.gz LHMLRCQCFMQIRR-UHFFFAOYSA-N 1 2 332.379 0.422 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CON=C(N)c2cccc(Cl)c2)CC1 ZINC000490800077 439300026 /nfs/dbraw/zinc/30/00/26/439300026.db2.gz NQACJUNLEGIUEZ-UHFFFAOYSA-N 1 2 334.807 0.964 20 30 ECEDLO C#CC[N@@H+](CC)CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C ZINC000490854009 439305749 /nfs/dbraw/zinc/30/57/49/439305749.db2.gz XAJPNZWJLBQVTG-GFCCVEGCSA-N 1 2 335.429 0.567 20 30 ECEDLO C#CC[N@H+](CC)CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C ZINC000490854009 439305753 /nfs/dbraw/zinc/30/57/53/439305753.db2.gz XAJPNZWJLBQVTG-GFCCVEGCSA-N 1 2 335.429 0.567 20 30 ECEDLO CC(C)(NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1[nH]cc[nH+]1 ZINC000598738251 439309732 /nfs/dbraw/zinc/30/97/32/439309732.db2.gz HMYCPNFSTQDNRF-UHFFFAOYSA-N 1 2 347.400 0.611 20 30 ECEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(C#N)nc2)CC1 ZINC000527906535 439310598 /nfs/dbraw/zinc/31/05/98/439310598.db2.gz OWUXNFDFYNIXIS-UHFFFAOYSA-N 1 2 329.404 0.166 20 30 ECEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(C#N)nc2)CC1 ZINC000527906535 439310602 /nfs/dbraw/zinc/31/06/02/439310602.db2.gz OWUXNFDFYNIXIS-UHFFFAOYSA-N 1 2 329.404 0.166 20 30 ECEDLO C#CCN(C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000490917527 439311115 /nfs/dbraw/zinc/31/11/15/439311115.db2.gz YNGCLZWORKOIRC-JSGCOSHPSA-N 1 2 325.434 0.055 20 30 ECEDLO C#CCN(C(=O)N[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000490917527 439311118 /nfs/dbraw/zinc/31/11/18/439311118.db2.gz YNGCLZWORKOIRC-JSGCOSHPSA-N 1 2 325.434 0.055 20 30 ECEDLO CC(=O)NCC(=O)N1CCC[N@H+](Cc2cc(F)ccc2C#N)CC1 ZINC000528736280 439365055 /nfs/dbraw/zinc/36/50/55/439365055.db2.gz YMUDBKJARJHMET-UHFFFAOYSA-N 1 2 332.379 0.868 20 30 ECEDLO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2cc(F)ccc2C#N)CC1 ZINC000528736280 439365062 /nfs/dbraw/zinc/36/50/62/439365062.db2.gz YMUDBKJARJHMET-UHFFFAOYSA-N 1 2 332.379 0.868 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](Cc2c(C)cc(C)nc2OC)CC1 ZINC000491218797 439351465 /nfs/dbraw/zinc/35/14/65/439351465.db2.gz AKCBROUOHDOKDY-UHFFFAOYSA-N 1 2 330.432 0.574 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2c(C)cc(C)nc2OC)CC1 ZINC000491218797 439351468 /nfs/dbraw/zinc/35/14/68/439351468.db2.gz AKCBROUOHDOKDY-UHFFFAOYSA-N 1 2 330.432 0.574 20 30 ECEDLO C#C[C@@H]1COCC[N@H+]1C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000491340267 439368700 /nfs/dbraw/zinc/36/87/00/439368700.db2.gz WPIIDSCSICBTHO-CABCVRRESA-N 1 2 330.384 0.645 20 30 ECEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000491340267 439368703 /nfs/dbraw/zinc/36/87/03/439368703.db2.gz WPIIDSCSICBTHO-CABCVRRESA-N 1 2 330.384 0.645 20 30 ECEDLO C#CCn1ccc(CN(CC)C(=O)NCC[N@@H+]2CCOC[C@@H]2C)n1 ZINC000491396282 439377241 /nfs/dbraw/zinc/37/72/41/439377241.db2.gz XNQDUPBAIHCJSF-HNNXBMFYSA-N 1 2 333.436 0.769 20 30 ECEDLO C#CCn1ccc(CN(CC)C(=O)NCC[N@H+]2CCOC[C@@H]2C)n1 ZINC000491396282 439377246 /nfs/dbraw/zinc/37/72/46/439377246.db2.gz XNQDUPBAIHCJSF-HNNXBMFYSA-N 1 2 333.436 0.769 20 30 ECEDLO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000593536858 439396132 /nfs/dbraw/zinc/39/61/32/439396132.db2.gz VJKAZMBNWRWOSR-UHFFFAOYSA-N 1 2 349.412 0.814 20 30 ECEDLO N#Cc1sccc1S(=O)(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000593551628 439401505 /nfs/dbraw/zinc/40/15/05/439401505.db2.gz BTYQDYUNVWBMED-GFCCVEGCSA-N 1 2 341.458 0.963 20 30 ECEDLO CN(C)S(=O)(=O)c1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)o1 ZINC000570335831 439412329 /nfs/dbraw/zinc/41/23/29/439412329.db2.gz HXVOPNZIHYGMEO-CYBMUJFWSA-N 1 2 328.394 0.104 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnc(Cl)c(C)c2)CC1 ZINC000491620326 439413451 /nfs/dbraw/zinc/41/34/51/439413451.db2.gz GCLPQLOCZBWNTQ-UHFFFAOYSA-N 1 2 348.834 0.941 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnc(Cl)c(C)c2)CC1 ZINC000491620326 439413454 /nfs/dbraw/zinc/41/34/54/439413454.db2.gz GCLPQLOCZBWNTQ-UHFFFAOYSA-N 1 2 348.834 0.941 20 30 ECEDLO C#CC[N@@H+](C[C@H](O)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000491661097 439422389 /nfs/dbraw/zinc/42/23/89/439422389.db2.gz ZJOQHDXBHZQKAE-JKSUJKDBSA-N 1 2 325.405 0.851 20 30 ECEDLO C#CC[N@H+](C[C@H](O)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000491661097 439422392 /nfs/dbraw/zinc/42/23/92/439422392.db2.gz ZJOQHDXBHZQKAE-JKSUJKDBSA-N 1 2 325.405 0.851 20 30 ECEDLO C[N@@H+](Cc1nnc2n1CCC2)C[C@H](O)COc1ccccc1C#N ZINC000599315160 439428270 /nfs/dbraw/zinc/42/82/70/439428270.db2.gz KBBOROGSFIHTSL-AWEZNQCLSA-N 1 2 327.388 0.968 20 30 ECEDLO C[N@H+](Cc1nnc2n1CCC2)C[C@H](O)COc1ccccc1C#N ZINC000599315160 439428273 /nfs/dbraw/zinc/42/82/73/439428273.db2.gz KBBOROGSFIHTSL-AWEZNQCLSA-N 1 2 327.388 0.968 20 30 ECEDLO C#CCN(C)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000491714926 439433228 /nfs/dbraw/zinc/43/32/28/439433228.db2.gz IGDFKJNJTHRZTC-UHFFFAOYSA-N 1 2 329.404 0.395 20 30 ECEDLO Cc1[nH]c(C#N)cc1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000529754187 439454388 /nfs/dbraw/zinc/45/43/88/439454388.db2.gz UPCVEOHENFAUMQ-KRWDZBQOSA-N 1 2 332.404 0.540 20 30 ECEDLO Cc1[nH]c(C#N)cc1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000529754187 439454394 /nfs/dbraw/zinc/45/43/94/439454394.db2.gz UPCVEOHENFAUMQ-KRWDZBQOSA-N 1 2 332.404 0.540 20 30 ECEDLO COC(=O)C[C@@H]1COCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599418659 439464508 /nfs/dbraw/zinc/46/45/08/439464508.db2.gz JBIDPFNOIMYRTC-ZIAGYGMSSA-N 1 2 326.393 0.322 20 30 ECEDLO COC(=O)C[C@@H]1COCC[N@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599418659 439464514 /nfs/dbraw/zinc/46/45/14/439464514.db2.gz JBIDPFNOIMYRTC-ZIAGYGMSSA-N 1 2 326.393 0.322 20 30 ECEDLO N#CC1(NC(=O)CN2CC[NH+](Cc3cn[nH]c3)CC2)CCCCC1 ZINC000599440828 439467945 /nfs/dbraw/zinc/46/79/45/439467945.db2.gz RSULHPMSFDCXDN-UHFFFAOYSA-N 1 2 330.436 0.870 20 30 ECEDLO Cn1cccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1=O ZINC000531094216 439506541 /nfs/dbraw/zinc/50/65/41/439506541.db2.gz HLYOBNQZPVEGEP-UHFFFAOYSA-N 1 2 333.392 0.465 20 30 ECEDLO C[C@H](NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1)C(=O)N(C)C ZINC000599679004 439536087 /nfs/dbraw/zinc/53/60/87/439536087.db2.gz NRDXRHPZAKDINL-ZDUSSCGKSA-N 1 2 328.416 0.704 20 30 ECEDLO C[C@H](NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1)C(=O)N(C)C ZINC000599679004 439536091 /nfs/dbraw/zinc/53/60/91/439536091.db2.gz NRDXRHPZAKDINL-ZDUSSCGKSA-N 1 2 328.416 0.704 20 30 ECEDLO C=CCNC(=O)CN1CCN(C(=O)Nc2cc(C)[nH+]cc2C)CC1 ZINC000536619205 439537326 /nfs/dbraw/zinc/53/73/26/439537326.db2.gz MWPSRVIQJBTCIR-UHFFFAOYSA-N 1 2 331.420 0.572 20 30 ECEDLO C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594311630 439538806 /nfs/dbraw/zinc/53/88/06/439538806.db2.gz HZDFFHBAVNAOFE-UPJWGTAASA-N 1 2 345.403 0.506 20 30 ECEDLO C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594311630 439538810 /nfs/dbraw/zinc/53/88/10/439538810.db2.gz HZDFFHBAVNAOFE-UPJWGTAASA-N 1 2 345.403 0.506 20 30 ECEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@@H](C)C#N ZINC000538109144 439544143 /nfs/dbraw/zinc/54/41/43/439544143.db2.gz DHAJQWRPKWWZBM-NSHDSACASA-N 1 2 331.376 0.441 20 30 ECEDLO CC[C@@H](CC#N)NC(=O)[C@@H]1OCC(=O)N(CC)[C@H]1c1[nH+]ccn1C ZINC000599760965 439553752 /nfs/dbraw/zinc/55/37/52/439553752.db2.gz UJVYXYIORJDHAT-IACUBPJLSA-N 1 2 333.392 0.517 20 30 ECEDLO C[C@@H](O)CN1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000609260343 439558456 /nfs/dbraw/zinc/55/84/56/439558456.db2.gz WCEHCVWHHJAMAN-WBVHZDCISA-N 1 2 333.432 0.491 20 30 ECEDLO CC[NH+]1CCN(C(=O)C(=O)Nc2cc(OC)c(C#N)cc2F)CC1 ZINC000599933067 439576505 /nfs/dbraw/zinc/57/65/05/439576505.db2.gz GLUIMMNAOJTYQG-UHFFFAOYSA-N 1 2 334.351 0.809 20 30 ECEDLO C[N@H+](C[C@H]1COCCO1)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000594660871 439588427 /nfs/dbraw/zinc/58/84/27/439588427.db2.gz RZHNIRZMAGVXJF-GJZGRUSLSA-N 1 2 329.356 0.537 20 30 ECEDLO C[N@@H+](C[C@H]1COCCO1)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000594660871 439588431 /nfs/dbraw/zinc/58/84/31/439588431.db2.gz RZHNIRZMAGVXJF-GJZGRUSLSA-N 1 2 329.356 0.537 20 30 ECEDLO CCCCNC(=O)CN1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000610162950 439601451 /nfs/dbraw/zinc/60/14/51/439601451.db2.gz ZTPMFMJAEXARFU-HNNXBMFYSA-N 1 2 337.468 0.281 20 30 ECEDLO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)ncc1C#N ZINC000584730221 439612029 /nfs/dbraw/zinc/61/20/29/439612029.db2.gz OSSAHRNCBCERIV-LBPRGKRZSA-N 1 2 331.376 0.037 20 30 ECEDLO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCO[C@@H](C)C2)ncc1C#N ZINC000584730221 439612033 /nfs/dbraw/zinc/61/20/33/439612033.db2.gz OSSAHRNCBCERIV-LBPRGKRZSA-N 1 2 331.376 0.037 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000585719182 439644124 /nfs/dbraw/zinc/64/41/24/439644124.db2.gz VPWVVKYNKZBHCD-ZIAGYGMSSA-N 1 2 344.415 0.572 20 30 ECEDLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)cc1F ZINC000573547781 439652298 /nfs/dbraw/zinc/65/22/98/439652298.db2.gz KUQALUGZEJEGLO-RYUDHWBXSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)cc1F ZINC000573547781 439652303 /nfs/dbraw/zinc/65/23/03/439652303.db2.gz KUQALUGZEJEGLO-RYUDHWBXSA-N 1 2 341.408 0.773 20 30 ECEDLO N#CCC(=O)N1CC[NH+](Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 ZINC000573697161 439661420 /nfs/dbraw/zinc/66/14/20/439661420.db2.gz ZTFPMMIFGNOOLZ-UHFFFAOYSA-N 1 2 345.790 0.906 20 30 ECEDLO N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595150306 439661666 /nfs/dbraw/zinc/66/16/66/439661666.db2.gz FCLZVTBPDAMAHC-AWEZNQCLSA-N 1 2 346.362 0.569 20 30 ECEDLO C[C@]1(C#N)CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000595156762 439663601 /nfs/dbraw/zinc/66/36/01/439663601.db2.gz XFEXWGUZXJSBOD-CRAIPNDOSA-N 1 2 348.447 0.462 20 30 ECEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)CC1(C#N)CC1)C(C)(C)CO ZINC000584850429 439622999 /nfs/dbraw/zinc/62/29/99/439622999.db2.gz PKBOOLMVWDBQMH-LLVKDONJSA-N 1 2 326.422 0.703 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000573053623 439625602 /nfs/dbraw/zinc/62/56/02/439625602.db2.gz WFGSUHUPRGKIGZ-UHFFFAOYSA-N 1 2 345.384 0.075 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000611540554 439705942 /nfs/dbraw/zinc/70/59/42/439705942.db2.gz AVFTUSZRLCLXNQ-JKSUJKDBSA-N 1 2 335.429 0.778 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000595355761 439712078 /nfs/dbraw/zinc/71/20/78/439712078.db2.gz QTMMNDACABBORT-CQSZACIVSA-N 1 2 344.481 0.509 20 30 ECEDLO Cc1nc2cncc(N3CC[NH+](Cc4cc(C#N)n(C)c4)CC3)n2n1 ZINC000616734246 439821351 /nfs/dbraw/zinc/82/13/51/439821351.db2.gz FXBYIYXXTMGWHM-UHFFFAOYSA-N 1 2 336.403 0.965 20 30 ECEDLO C=CCOCCCNC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658589161 440019456 /nfs/dbraw/zinc/01/94/56/440019456.db2.gz RIXLYZYHNGMNHQ-GASCZTMLSA-N 1 2 341.452 0.263 20 30 ECEDLO C=CCOCCCNC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000658589161 440019463 /nfs/dbraw/zinc/01/94/63/440019463.db2.gz RIXLYZYHNGMNHQ-GASCZTMLSA-N 1 2 341.452 0.263 20 30 ECEDLO C[NH+]1CC2(C1)CCN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C2 ZINC000618920866 440178692 /nfs/dbraw/zinc/17/86/92/440178692.db2.gz DHGVISWYYLAMSE-UHFFFAOYSA-N 1 2 347.440 0.637 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)nn1 ZINC000648824860 440338459 /nfs/dbraw/zinc/33/84/59/440338459.db2.gz JVCDYQBSWYAYNF-CQSZACIVSA-N 1 2 335.408 0.027 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)nn1 ZINC000648781731 440328965 /nfs/dbraw/zinc/32/89/65/440328965.db2.gz WAFQFQQPGLSMEI-UHFFFAOYSA-N 1 2 346.435 0.234 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)nn1 ZINC000648781731 440328968 /nfs/dbraw/zinc/32/89/68/440328968.db2.gz WAFQFQQPGLSMEI-UHFFFAOYSA-N 1 2 346.435 0.234 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000651135697 440755557 /nfs/dbraw/zinc/75/55/57/440755557.db2.gz OMGRHYAXSSTVIL-CABCVRRESA-N 1 2 327.425 0.320 20 30 ECEDLO C=CCn1cc(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)nn1 ZINC000644944459 440721370 /nfs/dbraw/zinc/72/13/70/440721370.db2.gz VBSGIDMPKMWXHR-CYBMUJFWSA-N 1 2 327.392 0.937 20 30 ECEDLO C=CCOCCCNC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000661013050 440778104 /nfs/dbraw/zinc/77/81/04/440778104.db2.gz VUVSQDRNXJPDAJ-CQSZACIVSA-N 1 2 349.435 0.803 20 30 ECEDLO C=CCOCCCNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000661795594 440918204 /nfs/dbraw/zinc/91/82/04/440918204.db2.gz DMEHDKIAYHFOBM-AWEZNQCLSA-N 1 2 338.452 0.573 20 30 ECEDLO C=CCCn1cc(CNc2ccn(CC[NH+]3CCOCC3)n2)nn1 ZINC000657401396 441003596 /nfs/dbraw/zinc/00/35/96/441003596.db2.gz UZOPONTVZYIGNO-UHFFFAOYSA-N 1 2 331.424 0.995 20 30 ECEDLO N#Cc1ccc(N2CC[NH+]([C@@H](C(N)=O)c3ccccc3)CC2)nc1N ZINC000567179604 322574066 /nfs/dbraw/zinc/57/40/66/322574066.db2.gz MICDAZOMUUDOAT-MRXNPFEDSA-N 1 2 336.399 0.884 20 30 ECEDLO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)C2)C1 ZINC001041744847 782106432 /nfs/dbraw/zinc/10/64/32/782106432.db2.gz MCXSYZDRDKRXJL-QGZVFWFLSA-N 1 2 342.403 0.182 20 30 ECEDLO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)C2)C1 ZINC001041744847 782106437 /nfs/dbraw/zinc/10/64/37/782106437.db2.gz MCXSYZDRDKRXJL-QGZVFWFLSA-N 1 2 342.403 0.182 20 30 ECEDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1 ZINC000619712683 546361554 /nfs/dbraw/zinc/36/15/54/546361554.db2.gz CEYOPWDFBJPTMO-UKRRQHHQSA-N 1 2 336.417 0.232 20 30 ECEDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1 ZINC000619712683 546361558 /nfs/dbraw/zinc/36/15/58/546361558.db2.gz CEYOPWDFBJPTMO-UKRRQHHQSA-N 1 2 336.417 0.232 20 30 ECEDLO C=CCOCC(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000619941628 546387277 /nfs/dbraw/zinc/38/72/77/546387277.db2.gz MKTXJAVHDXSERT-SFHVURJKSA-N 1 2 334.416 0.569 20 30 ECEDLO C=CCOCC(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000619941628 546387281 /nfs/dbraw/zinc/38/72/81/546387281.db2.gz MKTXJAVHDXSERT-SFHVURJKSA-N 1 2 334.416 0.569 20 30 ECEDLO C=CCCOCC(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000619940924 546387553 /nfs/dbraw/zinc/38/75/53/546387553.db2.gz DVPNCQQCMOKZHP-IBGZPJMESA-N 1 2 348.443 0.959 20 30 ECEDLO C=CCCOCC(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000619940924 546387559 /nfs/dbraw/zinc/38/75/59/546387559.db2.gz DVPNCQQCMOKZHP-IBGZPJMESA-N 1 2 348.443 0.959 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2c(C(F)(F)F)cnn2C)CC1 ZINC000667491733 547525813 /nfs/dbraw/zinc/52/58/13/547525813.db2.gz DYGOLDKJLNYKEK-UHFFFAOYSA-N 1 2 345.369 0.859 20 30 ECEDLO C=CCOCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000679532542 549101381 /nfs/dbraw/zinc/10/13/81/549101381.db2.gz WZAZEMKDGHRQQI-UHFFFAOYSA-N 1 2 348.403 0.484 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cnc(C)s3)C[C@H]2O)nc1 ZINC001078030103 782174540 /nfs/dbraw/zinc/17/45/40/782174540.db2.gz IDYWIFUKGJTQJU-HZPDHXFCSA-N 1 2 342.424 0.803 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cnc(C)s3)C[C@H]2O)nc1 ZINC001078030103 782174545 /nfs/dbraw/zinc/17/45/45/782174545.db2.gz IDYWIFUKGJTQJU-HZPDHXFCSA-N 1 2 342.424 0.803 20 30 ECEDLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000748454794 579324715 /nfs/dbraw/zinc/32/47/15/579324715.db2.gz AJFCARGCHSECSR-ZIAGYGMSSA-N 1 2 337.420 0.981 20 30 ECEDLO CC[N@H+]1CCO[C@@H](C(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000748454794 579324716 /nfs/dbraw/zinc/32/47/16/579324716.db2.gz AJFCARGCHSECSR-ZIAGYGMSSA-N 1 2 337.420 0.981 20 30 ECEDLO COc1cc[nH+]cc1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 ZINC000748464604 579325086 /nfs/dbraw/zinc/32/50/86/579325086.db2.gz AKKYXQHZSBAFKC-UHFFFAOYSA-N 1 2 340.343 0.524 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc2c([nH]c1=O)CCC2 ZINC000749380882 579337522 /nfs/dbraw/zinc/33/75/22/579337522.db2.gz ZJFJNFMWPATNJG-UHFFFAOYSA-N 1 2 344.415 0.964 20 30 ECEDLO CCc1nc(C=NNC(=S)NCC[NH+]2CCOCC2)cs1 ZINC000755498233 579434249 /nfs/dbraw/zinc/43/42/49/579434249.db2.gz FFKPVFMBHMASOO-UHFFFAOYSA-N 1 2 327.479 0.836 20 30 ECEDLO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000758192365 579468414 /nfs/dbraw/zinc/46/84/14/579468414.db2.gz KUNNPWODAHKVKW-HUUCEWRRSA-N 1 2 346.431 0.849 20 30 ECEDLO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000758192365 579468415 /nfs/dbraw/zinc/46/84/15/579468415.db2.gz KUNNPWODAHKVKW-HUUCEWRRSA-N 1 2 346.431 0.849 20 30 ECEDLO C=CCNC(=S)N1CC[NH+]([C@H](C)C(=O)NCCCOC)CC1 ZINC000728796307 578291209 /nfs/dbraw/zinc/29/12/09/578291209.db2.gz WTWBMCUYUORUCG-CYBMUJFWSA-N 1 2 328.482 0.206 20 30 ECEDLO N#C[C@@H](C(=O)C[N@H+]1CCC[C@@H]1CO)c1nc2ccccc2c(=O)[nH]1 ZINC000728917412 578291832 /nfs/dbraw/zinc/29/18/32/578291832.db2.gz CQPSPEYEIQQMTO-YPMHNXCESA-N 1 2 326.356 0.968 20 30 ECEDLO N#C[C@@H](C(=O)C[N@@H+]1CCC[C@@H]1CO)c1nc2ccccc2c(=O)[nH]1 ZINC000728917412 578291833 /nfs/dbraw/zinc/29/18/33/578291833.db2.gz CQPSPEYEIQQMTO-YPMHNXCESA-N 1 2 326.356 0.968 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1cnn2ccccc12 ZINC000729632812 578297656 /nfs/dbraw/zinc/29/76/56/578297656.db2.gz IEEKOSZBTXFITL-UHFFFAOYSA-N 1 2 332.433 0.465 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732812867 578330024 /nfs/dbraw/zinc/33/00/24/578330024.db2.gz IAXUATYRJCEFBY-GHMZBOCLSA-N 1 2 334.342 0.842 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732812867 578330025 /nfs/dbraw/zinc/33/00/25/578330025.db2.gz IAXUATYRJCEFBY-GHMZBOCLSA-N 1 2 334.342 0.842 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CSCN2C(=O)c2ccccc2)CC1 ZINC000733162203 578333142 /nfs/dbraw/zinc/33/31/42/578333142.db2.gz KKBSNFHJFLJCOW-MRXNPFEDSA-N 1 2 343.452 0.979 20 30 ECEDLO N#CCCNC(=O)C[N@@H+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000796549939 578625821 /nfs/dbraw/zinc/62/58/21/578625821.db2.gz QWJIAYSIXMXGJU-KBPBESRZSA-N 1 2 338.408 0.386 20 30 ECEDLO N#CCCNC(=O)C[N@H+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000796549939 578625822 /nfs/dbraw/zinc/62/58/22/578625822.db2.gz QWJIAYSIXMXGJU-KBPBESRZSA-N 1 2 338.408 0.386 20 30 ECEDLO C#CCC[C@@H](O)CNC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000799073305 578657030 /nfs/dbraw/zinc/65/70/30/578657030.db2.gz FYPPIYYXXFTNPS-MRXNPFEDSA-N 1 2 346.427 0.952 20 30 ECEDLO C#CCC[C@@H](O)CNC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000799073305 578657031 /nfs/dbraw/zinc/65/70/31/578657031.db2.gz FYPPIYYXXFTNPS-MRXNPFEDSA-N 1 2 346.427 0.952 20 30 ECEDLO Cc1ccc(C(=O)NCC(=O)NCC[NH+]2CCOCC2)cc1C#N ZINC000799628046 578668249 /nfs/dbraw/zinc/66/82/49/578668249.db2.gz TZHSYMZTFWKAEI-UHFFFAOYSA-N 1 2 330.388 0.045 20 30 ECEDLO C#CCN1CCN(C(=O)C[NH+]2CCN(c3ccc(C)cc3)CC2)CC1 ZINC000784394112 578751378 /nfs/dbraw/zinc/75/13/78/578751378.db2.gz XVTUGFWNJNYZMQ-UHFFFAOYSA-N 1 2 340.471 0.894 20 30 ECEDLO C#CCn1ccc(CN(CC)C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)n1 ZINC000788945498 578845899 /nfs/dbraw/zinc/84/58/99/578845899.db2.gz ZNAAURRLLAUVMX-HNNXBMFYSA-N 1 2 333.436 0.769 20 30 ECEDLO C#CCn1ccc(CN(CC)C(=O)NCC[N@H+]2CCO[C@@H](C)C2)n1 ZINC000788945498 578845900 /nfs/dbraw/zinc/84/59/00/578845900.db2.gz ZNAAURRLLAUVMX-HNNXBMFYSA-N 1 2 333.436 0.769 20 30 ECEDLO C#C[C@@H](CCC)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000791024331 578885557 /nfs/dbraw/zinc/88/55/57/578885557.db2.gz PPUOPEANWQNRNL-ZDUSSCGKSA-N 1 2 329.466 0.597 20 30 ECEDLO NC(=[NH+]OCC(=O)N1CCC2(CC1)OCCO2)c1ccc(F)cc1 ZINC000771265773 579187079 /nfs/dbraw/zinc/18/70/79/579187079.db2.gz HJPKTTUEQDKIIJ-UHFFFAOYSA-N 1 2 337.351 0.828 20 30 ECEDLO CCOC(=O)CON=C(C(=O)N(C)Cc1[nH]cc[nH+]1)c1ccn[nH]1 ZINC000772226486 579201782 /nfs/dbraw/zinc/20/17/82/579201782.db2.gz PYTFMGUPNCJNNS-UHFFFAOYSA-N 1 2 334.336 0.075 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)[C@H]2CCCC[C@H]2C(=O)OC)CC1 ZINC000772480675 579207631 /nfs/dbraw/zinc/20/76/31/579207631.db2.gz YUPQKHMVVHQVIM-CABCVRRESA-N 1 2 342.461 0.689 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)NCc1cn2ccccc2[nH+]1)[C@H]1CCCO1 ZINC000775123715 579262912 /nfs/dbraw/zinc/26/29/12/579262912.db2.gz VZJUCQXITHAFKH-ZIAGYGMSSA-N 1 2 326.356 0.248 20 30 ECEDLO C#C[C@@H]([NH2+]CC(=O)Nc1cccc(S(C)(=O)=O)c1)[C@@H]1CCCO1 ZINC000775798818 579271611 /nfs/dbraw/zinc/27/16/11/579271611.db2.gz LLSSXMLQTFDKCC-CABCVRRESA-N 1 2 336.413 0.799 20 30 ECEDLO C[C@H](C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)S(C)(=O)=O ZINC000779417180 579315745 /nfs/dbraw/zinc/31/57/45/579315745.db2.gz PQQQCPQYSOOPNM-GRYCIOLGSA-N 1 2 331.438 0.768 20 30 ECEDLO Cn1cc(C[C@H]2CC(=O)N(C[NH+]3CCC(C)(C#N)CC3)C2=O)cn1 ZINC000779879035 579322185 /nfs/dbraw/zinc/32/21/85/579322185.db2.gz IGAUWORHGWORPE-AWEZNQCLSA-N 1 2 329.404 0.921 20 30 ECEDLO COc1nccnc1N=NCc1c(OC)[nH+]c(N)nc1N1CCCC1 ZINC000763410788 579559946 /nfs/dbraw/zinc/55/99/46/579559946.db2.gz DOBBQXWWCDWJPZ-UHFFFAOYSA-N 1 2 344.379 0.912 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2cc(C)n(-c3nc(C)cc(C)n3)n2)CC1 ZINC000763993560 579568812 /nfs/dbraw/zinc/56/88/12/579568812.db2.gz CWMPWIQSBWMLFK-UHFFFAOYSA-N 1 2 338.415 0.979 20 30 ECEDLO N#Cc1cccc(OCC(=O)N2CC[NH+](CCn3cncn3)CC2)c1 ZINC000740739120 579761295 /nfs/dbraw/zinc/76/12/95/579761295.db2.gz VPMNFAYUEALKCF-UHFFFAOYSA-N 1 2 340.387 0.373 20 30 ECEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000741143549 579766463 /nfs/dbraw/zinc/76/64/63/579766463.db2.gz JVCDUOAOFDVMTK-JBEBIEQOSA-N 1 2 349.456 0.848 20 30 ECEDLO N#CCNC(=O)COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741357347 579772692 /nfs/dbraw/zinc/77/26/92/579772692.db2.gz TWSHDXSEBUSSCA-OAHLLOKOSA-N 1 2 331.372 0.460 20 30 ECEDLO N#CCNC(=O)COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741357347 579772694 /nfs/dbraw/zinc/77/26/94/579772694.db2.gz TWSHDXSEBUSSCA-OAHLLOKOSA-N 1 2 331.372 0.460 20 30 ECEDLO C#CCNC(=O)[C@@H](C)OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741382275 579773057 /nfs/dbraw/zinc/77/30/57/579773057.db2.gz NUXQXMKFYXLKPL-GDBMZVCRSA-N 1 2 330.384 0.569 20 30 ECEDLO C#CCNC(=O)[C@@H](C)OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741382275 579773059 /nfs/dbraw/zinc/77/30/59/579773059.db2.gz NUXQXMKFYXLKPL-GDBMZVCRSA-N 1 2 330.384 0.569 20 30 ECEDLO C=CCN(CC(=O)OCC)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000742607514 579789272 /nfs/dbraw/zinc/78/92/72/579789272.db2.gz QXMQYKJAQHUADX-UHFFFAOYSA-N 1 2 349.431 0.975 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000742912464 579793012 /nfs/dbraw/zinc/79/30/12/579793012.db2.gz OGVFQZSHNCKXCX-CFVMTHIKSA-N 1 2 329.404 0.128 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000742912464 579793013 /nfs/dbraw/zinc/79/30/13/579793013.db2.gz OGVFQZSHNCKXCX-CFVMTHIKSA-N 1 2 329.404 0.128 20 30 ECEDLO C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000743881373 579803203 /nfs/dbraw/zinc/80/32/03/579803203.db2.gz YVCGPFCYICNNFA-UHFFFAOYSA-N 1 2 330.319 0.789 20 30 ECEDLO C[S@](=O)CC[NH+]1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000746470188 579840045 /nfs/dbraw/zinc/84/00/45/579840045.db2.gz QNEXVLJVVVWNLH-WNSKOXEYSA-N 1 2 334.445 0.081 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H](C)NC(=O)c2[nH]nc3ccccc32)CC1 ZINC000746602755 579842073 /nfs/dbraw/zinc/84/20/73/579842073.db2.gz GILRJXXPFCKXHJ-CYBMUJFWSA-N 1 2 339.399 0.459 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C(=O)NCCc1ccccc1 ZINC000836970597 588939540 /nfs/dbraw/zinc/93/95/40/588939540.db2.gz VXRVSJALRVGCIU-RDJZCZTQSA-N 1 2 327.428 0.948 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C(=O)NCCc1ccccc1 ZINC000836970597 588939542 /nfs/dbraw/zinc/93/95/42/588939542.db2.gz VXRVSJALRVGCIU-RDJZCZTQSA-N 1 2 327.428 0.948 20 30 ECEDLO Cn1c[nH+]cc1CCOC(=O)CNS(=O)(=O)c1ccccc1C#N ZINC000837402220 588950767 /nfs/dbraw/zinc/95/07/67/588950767.db2.gz OZBWRZZELPJRSX-UHFFFAOYSA-N 1 2 348.384 0.356 20 30 ECEDLO C=C(C)CN(CC)C(=O)C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000867282667 589006774 /nfs/dbraw/zinc/00/67/74/589006774.db2.gz UNIFTSDUYPBBCM-UHFFFAOYSA-N 1 2 336.480 0.649 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(OCC#N)c2)C1 ZINC000891607641 586180929 /nfs/dbraw/zinc/18/09/29/586180929.db2.gz PAPAYXAXWXWJRS-HNNXBMFYSA-N 1 2 340.383 0.741 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(OCC#N)c2)C1 ZINC000891607641 586180930 /nfs/dbraw/zinc/18/09/30/586180930.db2.gz PAPAYXAXWXWJRS-HNNXBMFYSA-N 1 2 340.383 0.741 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(C)cc2F)CC1 ZINC000895917351 586212903 /nfs/dbraw/zinc/21/29/03/586212903.db2.gz DPHRVFWMKAHRHR-UHFFFAOYSA-N 1 2 325.409 0.719 20 30 ECEDLO C#CCCOc1ccc(C[N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)cc1 ZINC000897283418 586294163 /nfs/dbraw/zinc/29/41/63/586294163.db2.gz LOSJKVFRPUZEGJ-HNNXBMFYSA-N 1 2 335.429 0.423 20 30 ECEDLO C#CCCOc1ccc(C[N@H+]2CCN3[C@@H](CNS3(=O)=O)C2)cc1 ZINC000897283418 586294166 /nfs/dbraw/zinc/29/41/66/586294166.db2.gz LOSJKVFRPUZEGJ-HNNXBMFYSA-N 1 2 335.429 0.423 20 30 ECEDLO Cn1c[nH+]c(CNC(=O)N2CCN(c3ncccc3C#N)CC2)c1 ZINC000898633319 586440022 /nfs/dbraw/zinc/44/00/22/586440022.db2.gz VCLAIVKWIUOBIM-UHFFFAOYSA-N 1 2 325.376 0.719 20 30 ECEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000843247578 589055924 /nfs/dbraw/zinc/05/59/24/589055924.db2.gz AVXIFYXFKZGUIB-MRXNPFEDSA-N 1 2 349.475 0.818 20 30 ECEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC000843247578 589055927 /nfs/dbraw/zinc/05/59/27/589055927.db2.gz AVXIFYXFKZGUIB-MRXNPFEDSA-N 1 2 349.475 0.818 20 30 ECEDLO Cn1nc2c(c1C=NNC(=S)NCC[NH+]1CCOCC1)CCC2 ZINC000901130764 586696283 /nfs/dbraw/zinc/69/62/83/586696283.db2.gz VNNMDRBGHGBPFP-UHFFFAOYSA-N 1 2 336.465 0.039 20 30 ECEDLO C#CCN(C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C1CSC1 ZINC000903200421 586770889 /nfs/dbraw/zinc/77/08/89/586770889.db2.gz SAHOUEHWFVKIAE-UHFFFAOYSA-N 1 2 349.460 0.798 20 30 ECEDLO Cn1c(=O)c2ccc(C(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)cc2[nH]c1=S ZINC000843459640 589068242 /nfs/dbraw/zinc/06/82/42/589068242.db2.gz FVHGCFLEDVTJII-CABZTGNLSA-N 1 2 329.385 0.064 20 30 ECEDLO Cn1cc(N2C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CCC2=O)cn1 ZINC000905495329 586898149 /nfs/dbraw/zinc/89/81/49/586898149.db2.gz JTSVWAIWWXXZIZ-MLGOLLRUSA-N 1 2 332.408 0.123 20 30 ECEDLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)NCc2ccc(C#N)cc2)C1 ZINC000805479318 586911024 /nfs/dbraw/zinc/91/10/24/586911024.db2.gz MRRAHKAWJLSPHO-HNNXBMFYSA-N 1 2 331.372 0.438 20 30 ECEDLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)NCc2ccc(C#N)cc2)C1 ZINC000805479318 586911027 /nfs/dbraw/zinc/91/10/27/586911027.db2.gz MRRAHKAWJLSPHO-HNNXBMFYSA-N 1 2 331.372 0.438 20 30 ECEDLO C=CC[C@@H]([NH2+]CC1(N2CCOCC2)CC(OCC)C1)C(=O)OC ZINC000905762004 586913979 /nfs/dbraw/zinc/91/39/79/586913979.db2.gz FSYIJKZOBMFKGY-ISXOHVOVSA-N 1 2 326.437 0.964 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)CC1 ZINC000906581225 586957236 /nfs/dbraw/zinc/95/72/36/586957236.db2.gz UNKSCCSWYSDKTJ-WBVHZDCISA-N 1 2 333.432 0.085 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)CC1 ZINC000906581225 586957238 /nfs/dbraw/zinc/95/72/38/586957238.db2.gz UNKSCCSWYSDKTJ-WBVHZDCISA-N 1 2 333.432 0.085 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C2(C(=O)OC(C)(C)C)CCOCC2)CC1 ZINC000906675309 586965192 /nfs/dbraw/zinc/96/51/92/586965192.db2.gz VHLOGJQIMSAHOB-UHFFFAOYSA-N 1 2 336.432 0.902 20 30 ECEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1CC2(CCOCC2)[C@H](O)C1=O ZINC000839959960 587015466 /nfs/dbraw/zinc/01/54/66/587015466.db2.gz NIDSYZVAAVGQLM-MRXNPFEDSA-N 1 2 329.400 0.947 20 30 ECEDLO C[N@H+](Cc1cccc(C#N)c1)CN1CC2(CCOCC2)[C@H](O)C1=O ZINC000839959960 587015467 /nfs/dbraw/zinc/01/54/67/587015467.db2.gz NIDSYZVAAVGQLM-MRXNPFEDSA-N 1 2 329.400 0.947 20 30 ECEDLO CN1CCN(S(=O)(=O)c2ccc(C#N)cn2)Cc2ccc[nH+]c21 ZINC000907323133 587035893 /nfs/dbraw/zinc/03/58/93/587035893.db2.gz SYCICVMTVHPRBR-UHFFFAOYSA-N 1 2 329.385 0.989 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000807247314 587122727 /nfs/dbraw/zinc/12/27/27/587122727.db2.gz UBSOERJOJATKLY-DGCLKSJQSA-N 1 2 333.392 0.838 20 30 ECEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ncc(C#N)cc1Cl ZINC000807279848 587123432 /nfs/dbraw/zinc/12/34/32/587123432.db2.gz AEVIPUSZZXNSOM-LLVKDONJSA-N 1 2 333.735 0.775 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)NCc1[nH+]ccn1CC(C)C)[C@@H]1CCCO1 ZINC000807388456 587126331 /nfs/dbraw/zinc/12/63/31/587126331.db2.gz XSLWMCBKUQJHLK-KGLIPLIRSA-N 1 2 332.404 0.452 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1)[C@@H]1CCCO1 ZINC000809312012 587174895 /nfs/dbraw/zinc/17/48/95/587174895.db2.gz KLCNGTNRLWBHNF-GJZGRUSLSA-N 1 2 330.388 0.344 20 30 ECEDLO COC(=O)c1cccc(C[NH2+]C2(CO)COC(C)(C)OC2)c1C#N ZINC000812837198 587243746 /nfs/dbraw/zinc/24/37/46/587243746.db2.gz ALDXFGKGGDVTNU-UHFFFAOYSA-N 1 2 334.372 0.948 20 30 ECEDLO COc1cc(C(C)=NNC(=S)NCC[NH+]2CCOCC2)on1 ZINC000814717073 587278790 /nfs/dbraw/zinc/27/87/90/587278790.db2.gz OBVONGWKIXGVBI-UHFFFAOYSA-N 1 2 327.410 0.204 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1ccc2oncc2c1 ZINC000814716932 587279006 /nfs/dbraw/zinc/27/90/06/587279006.db2.gz LSRZYIYXIJBFLP-UHFFFAOYSA-N 1 2 333.417 0.958 20 30 ECEDLO C#Cc1cccc(CNC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000817820454 587387165 /nfs/dbraw/zinc/38/71/65/587387165.db2.gz WKBUBXDKKTUVFY-LSDHHAIUSA-N 1 2 343.427 0.510 20 30 ECEDLO CON(C)C(=O)CC[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000819230929 587473055 /nfs/dbraw/zinc/47/30/55/587473055.db2.gz ZTXOXCZRASBCJN-RYUDHWBXSA-N 1 2 326.397 0.745 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC000819701238 587486203 /nfs/dbraw/zinc/48/62/03/587486203.db2.gz AGBPGLJMCKOCNK-UHFFFAOYSA-N 1 2 344.350 0.162 20 30 ECEDLO O=C(CN=C1NS(=O)(=O)c2ccccc21)N1CCc2[nH]c[nH+]c2C1 ZINC000819967075 587500047 /nfs/dbraw/zinc/50/00/47/587500047.db2.gz AXKALPVLZIVRBC-UHFFFAOYSA-N 1 2 345.384 0.033 20 30 ECEDLO O=C(CN=C1NS(=O)(=O)c2ccccc21)N1CCc2[nH+]c[nH]c2C1 ZINC000819967075 587500048 /nfs/dbraw/zinc/50/00/48/587500048.db2.gz AXKALPVLZIVRBC-UHFFFAOYSA-N 1 2 345.384 0.033 20 30 ECEDLO C#CC[C@@H](CO)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000820060161 587506329 /nfs/dbraw/zinc/50/63/29/587506329.db2.gz VZTCKGOZVXJDQJ-HNNXBMFYSA-N 1 2 344.415 0.011 20 30 ECEDLO CN1CC[NH+](Cc2ccc(C(=O)N[C@H]3CCN(O)C3=O)cc2)CC1 ZINC000820156827 587514003 /nfs/dbraw/zinc/51/40/03/587514003.db2.gz OKHSZDZYZKOSRA-HNNXBMFYSA-N 1 2 332.404 0.154 20 30 ECEDLO C#C[C@@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000820489531 587537983 /nfs/dbraw/zinc/53/79/83/587537983.db2.gz GZYULXDOFKJJQZ-DLBZAZTESA-N 1 2 349.406 0.835 20 30 ECEDLO C#C[C@@H](NC(=O)N(CCO)CC[NH+]1CCOCC1)c1ccccc1 ZINC000820595244 587543739 /nfs/dbraw/zinc/54/37/39/587543739.db2.gz POKZMDRZHLGBLK-QGZVFWFLSA-N 1 2 331.416 0.697 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cnnn2-c2ccccc2)CC1 ZINC000820787796 587555935 /nfs/dbraw/zinc/55/59/35/587555935.db2.gz KGETUVHFXWOWHA-UHFFFAOYSA-N 1 2 345.428 0.597 20 30 ECEDLO CON=C(C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1csc(N)n1 ZINC000821324669 587585747 /nfs/dbraw/zinc/58/57/47/587585747.db2.gz VKKSBVKNLIJZPG-SECBINFHSA-N 1 2 334.405 0.825 20 30 ECEDLO C#CCN(CC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)C(=O)OC(C)(C)C ZINC000827237959 588107051 /nfs/dbraw/zinc/10/70/51/588107051.db2.gz ZHVLHEANOPYKKB-CQSZACIVSA-N 1 2 338.452 0.219 20 30 ECEDLO C#CCN(CC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)C(=O)OC(C)(C)C ZINC000827237959 588107052 /nfs/dbraw/zinc/10/70/52/588107052.db2.gz ZHVLHEANOPYKKB-CQSZACIVSA-N 1 2 338.452 0.219 20 30 ECEDLO N#CC1(C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)CCSCC1 ZINC000827917370 588146933 /nfs/dbraw/zinc/14/69/33/588146933.db2.gz ORZDBLHTGKKUMM-AWEZNQCLSA-N 1 2 339.461 0.583 20 30 ECEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(C#N)c(OC)c1 ZINC000831263014 588417028 /nfs/dbraw/zinc/41/70/28/588417028.db2.gz KEBSGFIWADNTPZ-ZDUSSCGKSA-N 1 2 328.328 0.804 20 30 ECEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(C#N)c(OC)c1 ZINC000831263014 588417030 /nfs/dbraw/zinc/41/70/30/588417030.db2.gz KEBSGFIWADNTPZ-ZDUSSCGKSA-N 1 2 328.328 0.804 20 30 ECEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@H]2CN(C3CC3)C(=O)O2)n1 ZINC000844323721 589107670 /nfs/dbraw/zinc/10/76/70/589107670.db2.gz JAHSNUNMRRRJFO-INIZCTEOSA-N 1 2 332.404 0.948 20 30 ECEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@H]2CN(C3CC3)C(=O)O2)n1 ZINC000844323721 589107672 /nfs/dbraw/zinc/10/76/72/589107672.db2.gz JAHSNUNMRRRJFO-INIZCTEOSA-N 1 2 332.404 0.948 20 30 ECEDLO CC[NH+]1CCN(C(=O)C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)CC1 ZINC000846234869 589192659 /nfs/dbraw/zinc/19/26/59/589192659.db2.gz YEMPWZIVMVGSHW-INIZCTEOSA-N 1 2 344.415 0.214 20 30 ECEDLO C#C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000847026659 589233229 /nfs/dbraw/zinc/23/32/29/589233229.db2.gz GIVVTZOOWBCLGE-RRFJBIMHSA-N 1 2 326.462 0.756 20 30 ECEDLO C#C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000847026659 589233230 /nfs/dbraw/zinc/23/32/30/589233230.db2.gz GIVVTZOOWBCLGE-RRFJBIMHSA-N 1 2 326.462 0.756 20 30 ECEDLO C#C[C@H](NC(=O)N(CC[NH+]1CCOCC1)CC1CC1)[C@@H]1CCCO1 ZINC000854003534 589567700 /nfs/dbraw/zinc/56/77/00/589567700.db2.gz JHTNQUHIKUBJAF-IRXDYDNUSA-N 1 2 335.448 0.921 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H](NC(=O)c2ccccn2)C(C)C)CC1 ZINC000112920627 589617403 /nfs/dbraw/zinc/61/74/03/589617403.db2.gz XQPONPQHZHQJKY-INIZCTEOSA-N 1 2 328.416 0.613 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000856610961 589668381 /nfs/dbraw/zinc/66/83/81/589668381.db2.gz KMSJAJPSCOWIJV-LSDHHAIUSA-N 1 2 337.383 0.887 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C(c1ccnn1C)c1ccnn1C ZINC000860077788 589742125 /nfs/dbraw/zinc/74/21/25/589742125.db2.gz WDXCVYOCLNPKIQ-LLVKDONJSA-N 1 2 345.407 0.233 20 30 ECEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@]2(C#N)CCCOC2)CC1 ZINC000866490913 589746028 /nfs/dbraw/zinc/74/60/28/589746028.db2.gz XZRSVPGTWUJVNM-CRAIPNDOSA-N 1 2 348.447 0.462 20 30 ECEDLO N#CCC(=O)N1CCN(C(=O)Cc2cn3cc(F)ccc3[nH+]2)CC1 ZINC000866655831 589755588 /nfs/dbraw/zinc/75/55/88/589755588.db2.gz GJAVFFJJKLXOPX-UHFFFAOYSA-N 1 2 329.335 0.600 20 30 ECEDLO CCOC(=O)[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)CCO1 ZINC000859147242 589802984 /nfs/dbraw/zinc/80/29/84/589802984.db2.gz DULUZUNCUSMNEJ-ZBFHGGJFSA-N 1 2 334.372 0.562 20 30 ECEDLO CCOC(=O)[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)CCO1 ZINC000859147242 589802987 /nfs/dbraw/zinc/80/29/87/589802987.db2.gz DULUZUNCUSMNEJ-ZBFHGGJFSA-N 1 2 334.372 0.562 20 30 ECEDLO COC(=O)c1cnc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)cn1 ZINC000859285260 589816867 /nfs/dbraw/zinc/81/68/67/589816867.db2.gz WWXAJJPFQARHBC-UHFFFAOYSA-N 1 2 338.371 0.852 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000859357873 589825608 /nfs/dbraw/zinc/82/56/08/589825608.db2.gz YRSYXXYQKKKWKK-UHFFFAOYSA-N 1 2 341.411 0.550 20 30 ECEDLO COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000867712616 589828854 /nfs/dbraw/zinc/82/88/54/589828854.db2.gz FLDNEMFMGZDFGW-CYBMUJFWSA-N 1 2 336.433 0.117 20 30 ECEDLO COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000867712616 589828855 /nfs/dbraw/zinc/82/88/55/589828855.db2.gz FLDNEMFMGZDFGW-CYBMUJFWSA-N 1 2 336.433 0.117 20 30 ECEDLO N#Cc1ccc(O[C@@H]2CCN(C(=O)/C=C/C[NH+]3CCOCC3)C2)nc1 ZINC000868513073 589910859 /nfs/dbraw/zinc/91/08/59/589910859.db2.gz AFKADGWHUJBLSW-XGBNDESESA-N 1 2 342.399 0.821 20 30 ECEDLO N#Cc1ccc(O[C@H]2CCN(C(=O)/C=C\C[NH+]3CCOCC3)C2)nc1 ZINC000868513065 589911056 /nfs/dbraw/zinc/91/10/56/589911056.db2.gz AFKADGWHUJBLSW-AIMAZDRCSA-N 1 2 342.399 0.821 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)c1 ZINC000862643455 589952909 /nfs/dbraw/zinc/95/29/09/589952909.db2.gz TVLZBNMAYKVIIZ-GOSISDBHSA-N 1 2 329.400 0.409 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)c1 ZINC000862643455 589952912 /nfs/dbraw/zinc/95/29/12/589952912.db2.gz TVLZBNMAYKVIIZ-GOSISDBHSA-N 1 2 329.400 0.409 20 30 ECEDLO N#Cc1cc(O)cc(C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000870064489 589995174 /nfs/dbraw/zinc/99/51/74/589995174.db2.gz NJDPGPNBIXSHLY-MRXNPFEDSA-N 1 2 331.372 0.437 20 30 ECEDLO C#CCOc1ccc(C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000870067453 589995681 /nfs/dbraw/zinc/99/56/81/589995681.db2.gz NGGJIMJMYAQLLO-GOSISDBHSA-N 1 2 344.411 0.872 20 30 ECEDLO N#CCc1ccccc1C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870077745 589998835 /nfs/dbraw/zinc/99/88/35/589998835.db2.gz PDJXCWKGDRETGU-INIZCTEOSA-N 1 2 329.400 0.926 20 30 ECEDLO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000864638729 590090303 /nfs/dbraw/zinc/09/03/03/590090303.db2.gz GGKXLWYBYHBSAT-JKSUJKDBSA-N 1 2 343.362 0.991 20 30 ECEDLO N#Cc1cc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)co1 ZINC000864924210 590116839 /nfs/dbraw/zinc/11/68/39/590116839.db2.gz XSYGLSULCCYWOE-UHFFFAOYSA-N 1 2 326.360 0.493 20 30 ECEDLO C[C@H](C#N)CN(C(=O)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2)C1CC1 ZINC000873836427 590205079 /nfs/dbraw/zinc/20/50/79/590205079.db2.gz SYQGENSJPHVIJD-LLVKDONJSA-N 1 2 330.392 0.418 20 30 ECEDLO C[C@H](C#N)CN(C(=O)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2)C1CC1 ZINC000873836427 590205081 /nfs/dbraw/zinc/20/50/81/590205081.db2.gz SYQGENSJPHVIJD-LLVKDONJSA-N 1 2 330.392 0.418 20 30 ECEDLO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@H+](C)CCc1cccc(C#N)c1 ZINC000879434230 590311759 /nfs/dbraw/zinc/31/17/59/590311759.db2.gz GJNHBQCQZRPVIW-CZUORRHYSA-N 1 2 349.456 0.724 20 30 ECEDLO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879434230 590311762 /nfs/dbraw/zinc/31/17/62/590311762.db2.gz GJNHBQCQZRPVIW-CZUORRHYSA-N 1 2 349.456 0.724 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000875595611 590312014 /nfs/dbraw/zinc/31/20/14/590312014.db2.gz ARGDKOFQJRGTCE-HNNXBMFYSA-N 1 2 344.415 0.405 20 30 ECEDLO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879584562 590326215 /nfs/dbraw/zinc/32/62/15/590326215.db2.gz CIZXIPPBAAXFIS-ZDUSSCGKSA-N 1 2 329.404 0.914 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1)C1CC1 ZINC000879764455 590342869 /nfs/dbraw/zinc/34/28/69/590342869.db2.gz XTJNPRUOEKHDHA-KGLIPLIRSA-N 1 2 346.353 0.938 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1)C1CC1 ZINC000879764455 590342873 /nfs/dbraw/zinc/34/28/73/590342873.db2.gz XTJNPRUOEKHDHA-KGLIPLIRSA-N 1 2 346.353 0.938 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879930153 590351765 /nfs/dbraw/zinc/35/17/65/590351765.db2.gz NLKYWOOZISEFSO-IXYNUQLISA-N 1 2 341.477 0.796 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879930153 590351767 /nfs/dbraw/zinc/35/17/67/590351767.db2.gz NLKYWOOZISEFSO-IXYNUQLISA-N 1 2 341.477 0.796 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879932161 590352142 /nfs/dbraw/zinc/35/21/42/590352142.db2.gz VJWUYCKGRCJDCU-RRFJBIMHSA-N 1 2 326.462 0.942 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879932161 590352144 /nfs/dbraw/zinc/35/21/44/590352144.db2.gz VJWUYCKGRCJDCU-RRFJBIMHSA-N 1 2 326.462 0.942 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000880015330 590361567 /nfs/dbraw/zinc/36/15/67/590361567.db2.gz IIJZIGYISFBTHF-DFBGVHRSSA-N 1 2 343.449 0.143 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000880015330 590361569 /nfs/dbraw/zinc/36/15/69/590361569.db2.gz IIJZIGYISFBTHF-DFBGVHRSSA-N 1 2 343.449 0.143 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)CC1 ZINC000128258475 590375572 /nfs/dbraw/zinc/37/55/72/590375572.db2.gz COVNSROAEPGFDV-UHFFFAOYSA-N 1 2 346.431 0.361 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC000128355396 590383758 /nfs/dbraw/zinc/38/37/58/590383758.db2.gz CWJNBIYUKPXRAU-HUUCEWRRSA-N 1 2 331.416 0.329 20 30 ECEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC(=O)NCC23COC3)cc1 ZINC000880398269 590389580 /nfs/dbraw/zinc/38/95/80/590389580.db2.gz CBLSSPDOURMXBF-HNNXBMFYSA-N 1 2 345.399 0.083 20 30 ECEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC(=O)NCC23COC3)cc1 ZINC000880398269 590389582 /nfs/dbraw/zinc/38/95/82/590389582.db2.gz CBLSSPDOURMXBF-HNNXBMFYSA-N 1 2 345.399 0.083 20 30 ECEDLO COC(=O)[C@]1(O)CC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000880563021 590404720 /nfs/dbraw/zinc/40/47/20/590404720.db2.gz DVUKJXUMSRKWLQ-PBHICJAKSA-N 1 2 329.356 0.273 20 30 ECEDLO COC(=O)[C@]1(O)CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000880563021 590404723 /nfs/dbraw/zinc/40/47/23/590404723.db2.gz DVUKJXUMSRKWLQ-PBHICJAKSA-N 1 2 329.356 0.273 20 30 ECEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000878389224 590519113 /nfs/dbraw/zinc/51/91/13/590519113.db2.gz ZMMQTFSAAZYTRP-KBPBESRZSA-N 1 2 346.449 0.231 20 30 ECEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000878389224 590519114 /nfs/dbraw/zinc/51/91/14/590519114.db2.gz ZMMQTFSAAZYTRP-KBPBESRZSA-N 1 2 346.449 0.231 20 30 ECEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000878621697 590531591 /nfs/dbraw/zinc/53/15/91/590531591.db2.gz NGMNQUZYSSAISF-TZMCWYRMSA-N 1 2 330.450 0.898 20 30 ECEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000878621697 590531593 /nfs/dbraw/zinc/53/15/93/590531593.db2.gz NGMNQUZYSSAISF-TZMCWYRMSA-N 1 2 330.450 0.898 20 30 ECEDLO C=C(C)C[C@@H](CO)NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000878850559 590547114 /nfs/dbraw/zinc/54/71/14/590547114.db2.gz ZLXSWVLRFAXKEN-AWEZNQCLSA-N 1 2 337.424 0.664 20 30 ECEDLO C#CC[N@@H+](CC(=O)NC[C@H]1COc2ccccc2O1)C1CSC1 ZINC000878913219 590551104 /nfs/dbraw/zinc/55/11/04/590551104.db2.gz GKKUZQVRHXTZRO-AWEZNQCLSA-N 1 2 332.425 0.993 20 30 ECEDLO C#CC[N@H+](CC(=O)NC[C@H]1COc2ccccc2O1)C1CSC1 ZINC000878913219 590551107 /nfs/dbraw/zinc/55/11/07/590551107.db2.gz GKKUZQVRHXTZRO-AWEZNQCLSA-N 1 2 332.425 0.993 20 30 ECEDLO C=C(C)C[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)C(=O)OCC ZINC000882644321 590568980 /nfs/dbraw/zinc/56/89/80/590568980.db2.gz APTQUNSLAWZIRY-CQSZACIVSA-N 1 2 348.465 0.526 20 30 ECEDLO COC[C@@]1(C(=O)OC(C)(C)C)C[N@H+](CCOCCC#N)CCO1 ZINC000879359466 590582653 /nfs/dbraw/zinc/58/26/53/590582653.db2.gz SFXMXOJJPXMXOS-MRXNPFEDSA-N 1 2 328.409 0.976 20 30 ECEDLO COC[C@@]1(C(=O)OC(C)(C)C)C[N@@H+](CCOCCC#N)CCO1 ZINC000879359466 590582655 /nfs/dbraw/zinc/58/26/55/590582655.db2.gz SFXMXOJJPXMXOS-MRXNPFEDSA-N 1 2 328.409 0.976 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CCOCC(F)(F)F)C1 ZINC000885511304 590730570 /nfs/dbraw/zinc/73/05/70/590730570.db2.gz FLUMYYXFDHGJPY-LLVKDONJSA-N 1 2 328.356 0.582 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CCOCC(F)(F)F)C1 ZINC000885511304 590730576 /nfs/dbraw/zinc/73/05/76/590730576.db2.gz FLUMYYXFDHGJPY-LLVKDONJSA-N 1 2 328.356 0.582 20 30 ECEDLO C=CCOC(=O)[C@@H](N)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000884180280 590765298 /nfs/dbraw/zinc/76/52/98/590765298.db2.gz RYRDBDJTYKCCGM-AWEZNQCLSA-N 1 2 337.445 0.839 20 30 ECEDLO COC(=O)C[N@H+](CCN1CCOCC1)C[C@@H](O)CC1(C#N)CCC1 ZINC000886014594 590785619 /nfs/dbraw/zinc/78/56/19/590785619.db2.gz LGFBJZVMXKTGAB-HNNXBMFYSA-N 1 2 339.436 0.238 20 30 ECEDLO COC(=O)C[N@@H+](CCN1CCOCC1)C[C@@H](O)CC1(C#N)CCC1 ZINC000886014594 590785622 /nfs/dbraw/zinc/78/56/22/590785622.db2.gz LGFBJZVMXKTGAB-HNNXBMFYSA-N 1 2 339.436 0.238 20 30 ECEDLO COC(=O)CN(CC[NH+]1CCOCC1)C[C@@H](O)CC1(C#N)CCC1 ZINC000886014594 590785626 /nfs/dbraw/zinc/78/56/26/590785626.db2.gz LGFBJZVMXKTGAB-HNNXBMFYSA-N 1 2 339.436 0.238 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCCCS2(=O)=O)C1 ZINC000884262828 590791327 /nfs/dbraw/zinc/79/13/27/590791327.db2.gz VDXGQSYUGHVFIB-KGLIPLIRSA-N 1 2 327.450 0.351 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCCCS2(=O)=O)C1 ZINC000884262828 590791329 /nfs/dbraw/zinc/79/13/29/590791329.db2.gz VDXGQSYUGHVFIB-KGLIPLIRSA-N 1 2 327.450 0.351 20 30 ECEDLO N#C[C@]12CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]1CS(=O)(=O)C2 ZINC000886205178 590812573 /nfs/dbraw/zinc/81/25/73/590812573.db2.gz CVLDPYJVBBOOLE-IAQYHMDHSA-N 1 2 330.369 0.345 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948009301 611382061 /nfs/dbraw/zinc/38/20/61/611382061.db2.gz JDKNNHGILHIDOK-KGLIPLIRSA-N 1 2 332.404 0.651 20 30 ECEDLO CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 ZINC000155333874 611439060 /nfs/dbraw/zinc/43/90/60/611439060.db2.gz RRQJWWLHOAVDRL-UHFFFAOYSA-N 1 2 334.351 0.831 20 30 ECEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000925616834 611493050 /nfs/dbraw/zinc/49/30/50/611493050.db2.gz OJHFDCNRROFEMC-BZUAXINKSA-N 1 2 337.468 0.725 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC(NC(=O)Cn3cc[nH+]c3)CC2)c1 ZINC000948292660 611505081 /nfs/dbraw/zinc/50/50/81/611505081.db2.gz GTHXTVNSXASIMN-UHFFFAOYSA-N 1 2 337.383 0.680 20 30 ECEDLO C#CC1(O)CC[NH+](CC(=O)N[C@H](C(=O)NC)c2ccccc2)CC1 ZINC000931145005 611511351 /nfs/dbraw/zinc/51/13/51/611511351.db2.gz AGXXVEWRROXMEE-INIZCTEOSA-N 1 2 329.400 0.050 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCC[N@H+](Cc2nnnn2C)CC1 ZINC000948317016 611518324 /nfs/dbraw/zinc/51/83/24/611518324.db2.gz XMQWZAOBERECLK-AWEZNQCLSA-N 1 2 342.407 0.537 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCC[N@@H+](Cc2nnnn2C)CC1 ZINC000948317016 611518326 /nfs/dbraw/zinc/51/83/26/611518326.db2.gz XMQWZAOBERECLK-AWEZNQCLSA-N 1 2 342.407 0.537 20 30 ECEDLO C#Cc1ccc(NC(=O)CC[N@H+]2CCOC[C@@H]2CNC(=O)NC)cc1 ZINC000931506893 611546741 /nfs/dbraw/zinc/54/67/41/611546741.db2.gz GRFBWQONDILBFW-INIZCTEOSA-N 1 2 344.415 0.626 20 30 ECEDLO C#Cc1ccc(NC(=O)CC[N@@H+]2CCOC[C@@H]2CNC(=O)NC)cc1 ZINC000931506893 611546745 /nfs/dbraw/zinc/54/67/45/611546745.db2.gz GRFBWQONDILBFW-INIZCTEOSA-N 1 2 344.415 0.626 20 30 ECEDLO Cc1ccc(CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1C#N ZINC000926859269 611574308 /nfs/dbraw/zinc/57/43/08/611574308.db2.gz GYBUMPCFGYYMQZ-KRWDZBQOSA-N 1 2 346.431 0.701 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCc4cncn4C3)CC2)C1 ZINC000949401981 608669315 /nfs/dbraw/zinc/66/93/15/608669315.db2.gz RWDIFDURSVYHHU-INIZCTEOSA-N 1 2 342.443 0.772 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCc4cncn4C3)CC2)C1 ZINC000949401981 608669318 /nfs/dbraw/zinc/66/93/18/608669318.db2.gz RWDIFDURSVYHHU-INIZCTEOSA-N 1 2 342.443 0.772 20 30 ECEDLO C#Cc1cncc(C(=O)NC2CCN(C(=O)Cn3cc[nH+]c3)CC2)c1 ZINC000947275126 608710082 /nfs/dbraw/zinc/71/00/82/608710082.db2.gz KJOVTWDHPYXCNN-UHFFFAOYSA-N 1 2 337.383 0.680 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCCN(C)C3=O)CC2)C1 ZINC000949512032 608725379 /nfs/dbraw/zinc/72/53/79/608725379.db2.gz DNAWJQZSFAMXHV-MRXNPFEDSA-N 1 2 347.459 0.572 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCCN(C)C3=O)CC2)C1 ZINC000949512032 608725383 /nfs/dbraw/zinc/72/53/83/608725383.db2.gz DNAWJQZSFAMXHV-MRXNPFEDSA-N 1 2 347.459 0.572 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)OC(C)(C)C)C1 ZINC000932696449 611656815 /nfs/dbraw/zinc/65/68/15/611656815.db2.gz VJJCIOMAVYPEQS-MRXNPFEDSA-N 1 2 327.425 0.640 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)OC(C)(C)C)C1 ZINC000932696449 611656816 /nfs/dbraw/zinc/65/68/16/611656816.db2.gz VJJCIOMAVYPEQS-MRXNPFEDSA-N 1 2 327.425 0.640 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)c1 ZINC000937485913 608814656 /nfs/dbraw/zinc/81/46/56/608814656.db2.gz BVRZPWNQROFKOP-AWEZNQCLSA-N 1 2 340.387 0.963 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3cnn(C)n3)[C@@H](C)C2)c1 ZINC000947711663 608934341 /nfs/dbraw/zinc/93/43/41/608934341.db2.gz XSTKLWSGCYYUSY-XJKSGUPXSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnn(C)n3)[C@@H](C)C2)c1 ZINC000947711663 608934343 /nfs/dbraw/zinc/93/43/43/608934343.db2.gz XSTKLWSGCYYUSY-XJKSGUPXSA-N 1 2 338.415 0.974 20 30 ECEDLO Cn1ncnc1CON=C(N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181850128 609100405 /nfs/dbraw/zinc/10/04/05/609100405.db2.gz XLCRKIWLXJKTAV-AWEZNQCLSA-N 1 2 330.392 0.505 20 30 ECEDLO Cn1ncnc1CON=C(N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181850128 609100409 /nfs/dbraw/zinc/10/04/09/609100409.db2.gz XLCRKIWLXJKTAV-AWEZNQCLSA-N 1 2 330.392 0.505 20 30 ECEDLO C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@@H]1C ZINC000947823876 611708497 /nfs/dbraw/zinc/70/84/97/611708497.db2.gz BWUWULQTPUYLRH-STQMWFEESA-N 1 2 344.419 0.616 20 30 ECEDLO C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@@H]1C ZINC000947823876 611708500 /nfs/dbraw/zinc/70/85/00/611708500.db2.gz BWUWULQTPUYLRH-STQMWFEESA-N 1 2 344.419 0.616 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)c1 ZINC000938317589 609731465 /nfs/dbraw/zinc/73/14/65/609731465.db2.gz UCOWYDGVLQKBRS-HNNXBMFYSA-N 1 2 337.383 0.370 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000938385981 609767666 /nfs/dbraw/zinc/76/76/66/609767666.db2.gz QRSBPWJGHVQTDY-KRWDZBQOSA-N 1 2 336.395 0.824 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)nn1 ZINC000938389570 609770374 /nfs/dbraw/zinc/77/03/74/609770374.db2.gz WMUDDBXANVJMRW-LBPRGKRZSA-N 1 2 343.391 0.069 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC000938532659 609846847 /nfs/dbraw/zinc/84/68/47/609846847.db2.gz MBTXHHUCMWQLRL-ZDUSSCGKSA-N 1 2 343.391 0.034 20 30 ECEDLO C#CCOCCC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000152340318 609847899 /nfs/dbraw/zinc/84/78/99/609847899.db2.gz WPIIHHXKQYBCGP-KRWDZBQOSA-N 1 2 346.427 0.610 20 30 ECEDLO C=C1[C@H](C(=O)N2CCN(CC)CC2)[C@@H]1C(=O)N1CC[NH+](CC)CC1 ZINC000033340234 609974397 /nfs/dbraw/zinc/97/43/97/609974397.db2.gz QQRMUHPWGQCVHA-IYBDPMFKSA-N 1 2 334.464 0.117 20 30 ECEDLO C=C1[C@H](C(=O)N2CC[NH+](CC)CC2)[C@@H]1C(=O)N1CCN(CC)CC1 ZINC000033340234 609974399 /nfs/dbraw/zinc/97/43/99/609974399.db2.gz QQRMUHPWGQCVHA-IYBDPMFKSA-N 1 2 334.464 0.117 20 30 ECEDLO C#CC[C@H](CO)NC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000918009255 609992243 /nfs/dbraw/zinc/99/22/43/609992243.db2.gz BQYDRDSEOHEAQP-MSOLQXFVSA-N 1 2 345.443 0.613 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000938778389 609992902 /nfs/dbraw/zinc/99/29/02/609992902.db2.gz KUBFHLJBLIPQHK-ZDUSSCGKSA-N 1 2 326.360 0.456 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000939762665 610120317 /nfs/dbraw/zinc/12/03/17/610120317.db2.gz UXCAHGVLIQBEPC-KFWWJZLASA-N 1 2 332.404 0.603 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC000940383010 610277426 /nfs/dbraw/zinc/27/74/26/610277426.db2.gz HKBJIBGZUMKDGA-MIGQKNRLSA-N 1 2 346.431 0.897 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC000940383010 610277427 /nfs/dbraw/zinc/27/74/27/610277427.db2.gz HKBJIBGZUMKDGA-MIGQKNRLSA-N 1 2 346.431 0.897 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)nn1 ZINC000940505183 610293097 /nfs/dbraw/zinc/29/30/97/610293097.db2.gz WMPSLSCIWHCZTQ-GFCCVEGCSA-N 1 2 343.391 0.151 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c(F)cccc3OC)CC2)C1 ZINC000941414282 610303399 /nfs/dbraw/zinc/30/33/99/610303399.db2.gz QLXIWLDRIATBMW-UHFFFAOYSA-N 1 2 331.391 0.910 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cn3cc(C4CC4)nn3)CC2)C1 ZINC000941437108 610315148 /nfs/dbraw/zinc/31/51/48/610315148.db2.gz RYSHUBJVLYOYLS-UHFFFAOYSA-N 1 2 342.447 0.007 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cn3cc(C4CC4)cn3)CC2)C1 ZINC000941466042 610334504 /nfs/dbraw/zinc/33/45/04/610334504.db2.gz RNPHPBTXNYIYQT-UHFFFAOYSA-N 1 2 327.432 0.222 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3nncc4ccccc43)CC2)C1 ZINC000941483780 610336891 /nfs/dbraw/zinc/33/68/91/610336891.db2.gz HKFRIXUFQKCLSY-UHFFFAOYSA-N 1 2 335.411 0.705 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3ccc4n[nH]cc4c3)CC2)C1 ZINC000941485642 610338243 /nfs/dbraw/zinc/33/82/43/610338243.db2.gz YIXPUTDTZIHNKR-UHFFFAOYSA-N 1 2 337.427 0.567 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCOC[C@H]3OCC)CC2)C1 ZINC000941489277 610339725 /nfs/dbraw/zinc/33/97/25/610339725.db2.gz DOZFYUUAXIPVDN-FUHWJXTLSA-N 1 2 349.475 0.280 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@H]3CC[C@H](C4CC4)O3)CC2)C1 ZINC000941499320 610344171 /nfs/dbraw/zinc/34/41/71/610344171.db2.gz SHDIYDJSKCSNPW-QZTJIDSGSA-N 1 2 331.460 0.796 20 30 ECEDLO C#CCC[NH+]1CC(N2CCN(C(=O)c3cc(CCC)[nH]n3)CC2)C1 ZINC000941512659 610352072 /nfs/dbraw/zinc/35/20/72/610352072.db2.gz SBUSPYUGAQVOJV-UHFFFAOYSA-N 1 2 329.448 0.828 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C3(c4cc(C)no4)CC3)CC2)C1 ZINC000941529588 610361646 /nfs/dbraw/zinc/36/16/46/610361646.db2.gz SJAXKFUGUGLMLI-UHFFFAOYSA-N 1 2 342.443 0.866 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCc4nc[nH]c43)CC2)C1 ZINC000941564087 610384510 /nfs/dbraw/zinc/38/45/10/610384510.db2.gz WOXVWTNIEGBVGF-INIZCTEOSA-N 1 2 341.459 0.681 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cn3ncc4ccccc43)CC2)C1 ZINC000941607436 610405058 /nfs/dbraw/zinc/40/50/58/610405058.db2.gz NZMFVPSSSSKWTR-UHFFFAOYSA-N 1 2 337.427 0.498 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(C(C)C)nn3C)CC2)C1 ZINC000941627406 610416156 /nfs/dbraw/zinc/41/61/56/610416156.db2.gz GPJYPFPHADVTGQ-UHFFFAOYSA-N 1 2 329.448 0.619 20 30 ECEDLO C#CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCS2(=O)=O)C(C)(C)C1 ZINC000940914627 610431000 /nfs/dbraw/zinc/43/10/00/610431000.db2.gz NXSJGSDUXORAGW-KBPBESRZSA-N 1 2 326.462 0.804 20 30 ECEDLO C#CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCCS2(=O)=O)C(C)(C)C1 ZINC000940914627 610431001 /nfs/dbraw/zinc/43/10/01/610431001.db2.gz NXSJGSDUXORAGW-KBPBESRZSA-N 1 2 326.462 0.804 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)C(=O)Nc3ccc(C)cc3)CC2)C1 ZINC000941662086 610431511 /nfs/dbraw/zinc/43/15/11/610431511.db2.gz VKERHLFRRQPQGZ-UHFFFAOYSA-N 1 2 340.427 0.395 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC000941672752 610446256 /nfs/dbraw/zinc/44/62/56/610446256.db2.gz ZSNICOUYLMDCPG-OAHLLOKOSA-N 1 2 341.459 0.366 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c(C)cc(=O)[nH]c3C)CC2)C1 ZINC000941674797 610447616 /nfs/dbraw/zinc/44/76/16/610447616.db2.gz MDRKNWKBLIRRST-UHFFFAOYSA-N 1 2 342.443 0.869 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)C1 ZINC000941665273 610456570 /nfs/dbraw/zinc/45/65/70/610456570.db2.gz QFQRKAHQLYNQQN-UHFFFAOYSA-N 1 2 338.415 0.423 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC(C)(C)C)C[C@H]1OC ZINC000942512894 610492590 /nfs/dbraw/zinc/49/25/90/610492590.db2.gz ACOONRCIICVJIB-OWCLPIDISA-N 1 2 349.475 0.862 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC(C)(C)C)C[C@H]1OC ZINC000942512894 610492592 /nfs/dbraw/zinc/49/25/92/610492592.db2.gz ACOONRCIICVJIB-OWCLPIDISA-N 1 2 349.475 0.862 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCCN(C(=O)Cc3c[nH+]c[nH]3)CC2)nc1 ZINC000941776225 610498526 /nfs/dbraw/zinc/49/85/26/610498526.db2.gz VAZJMQTYWJDVHE-UHFFFAOYSA-N 1 2 337.383 0.703 20 30 ECEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)C(C)(C)C1 ZINC000941068223 610524554 /nfs/dbraw/zinc/52/45/54/610524554.db2.gz NLNKFPHPVHSKHA-UONOGXRCSA-N 1 2 326.462 0.661 20 30 ECEDLO C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)C(C)(C)C1 ZINC000941068223 610524555 /nfs/dbraw/zinc/52/45/55/610524555.db2.gz NLNKFPHPVHSKHA-UONOGXRCSA-N 1 2 326.462 0.661 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)cn1 ZINC000941879963 610539470 /nfs/dbraw/zinc/53/94/70/610539470.db2.gz XJOCVVUZOOKSAK-OAHLLOKOSA-N 1 2 337.383 0.750 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2cn(C)nn2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941964287 610586903 /nfs/dbraw/zinc/58/69/03/610586903.db2.gz QTULANBKQQEQJS-ABAIWWIYSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2cn(C)nn2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941964287 610586905 /nfs/dbraw/zinc/58/69/05/610586905.db2.gz QTULANBKQQEQJS-ABAIWWIYSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2nncn2C)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966591 610588475 /nfs/dbraw/zinc/58/84/75/610588475.db2.gz MNWYUACACJOMBR-DGCLKSJQSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2nncn2C)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966591 610588477 /nfs/dbraw/zinc/58/84/77/610588477.db2.gz MNWYUACACJOMBR-DGCLKSJQSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC000941343043 610680969 /nfs/dbraw/zinc/68/09/69/610680969.db2.gz TZBFSVITTUSVTC-HOCLYGCPSA-N 1 2 343.431 0.905 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000944176781 610777202 /nfs/dbraw/zinc/77/72/02/610777202.db2.gz SGUVGHSJBGCSRF-CQSZACIVSA-N 1 2 340.387 0.881 20 30 ECEDLO N#Cc1cc(C(=O)N2CCCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c[nH]1 ZINC000943570024 610905245 /nfs/dbraw/zinc/90/52/45/610905245.db2.gz JACAMIMQBNZTPF-ZDUSSCGKSA-N 1 2 340.387 0.963 20 30 ECEDLO C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000945250234 610982016 /nfs/dbraw/zinc/98/20/16/610982016.db2.gz CPOGQDMFENRLDY-WCQYABFASA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000945272305 610987751 /nfs/dbraw/zinc/98/77/51/610987751.db2.gz AJPPUDUEJVDMQV-SMDDNHRTSA-N 1 2 340.387 0.819 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CN(C(=O)C#CC3CC3)CC[C@H]21 ZINC000945954616 611174774 /nfs/dbraw/zinc/17/47/74/611174774.db2.gz RPTYWOCGBAWOSP-DOTOQJQBSA-N 1 2 340.427 0.825 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCC(NC(=O)Cc3c[nH]c[nH+]3)CC2)[nH]1 ZINC000946496236 611285250 /nfs/dbraw/zinc/28/52/50/611285250.db2.gz DIDSTJBITZXLAP-UHFFFAOYSA-N 1 2 326.360 0.573 20 30 ECEDLO CC(C)(C)OC(=O)CNC(=O)C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933647991 611738637 /nfs/dbraw/zinc/73/86/37/611738637.db2.gz LWKUECYVAJPLMV-UHFFFAOYSA-N 1 2 338.404 0.782 20 30 ECEDLO Cn1cc(N2CC[C@@H]([NH+]3CCC4(CC3)CC(=O)C=CO4)C2=O)cn1 ZINC000933652762 611738984 /nfs/dbraw/zinc/73/89/84/611738984.db2.gz RSIHXXYSVPAIJZ-OAHLLOKOSA-N 1 2 330.388 0.863 20 30 ECEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(=O)n(C)n1 ZINC000948983076 611784829 /nfs/dbraw/zinc/78/48/29/611784829.db2.gz VXSYNDJLGOQGQT-KRWDZBQOSA-N 1 2 336.395 0.743 20 30 ECEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(=O)n(C)n1 ZINC000948983076 611784831 /nfs/dbraw/zinc/78/48/31/611784831.db2.gz VXSYNDJLGOQGQT-KRWDZBQOSA-N 1 2 336.395 0.743 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)c1 ZINC000950610642 611790598 /nfs/dbraw/zinc/79/05/98/611790598.db2.gz GTPAUZKCRWMPJD-ZDUSSCGKSA-N 1 2 340.387 0.963 20 30 ECEDLO Cc1nnc(C[NH+]2CCC3(CC2)CN(C(=O)[C@H](C)C#N)CCO3)o1 ZINC000949051983 611829447 /nfs/dbraw/zinc/82/94/47/611829447.db2.gz UKOURUDFNVGCNI-GFCCVEGCSA-N 1 2 333.392 0.731 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCOC2(CC[NH+]([C@@H](C)c3nnnn3C)CC2)C1 ZINC000949053858 611831011 /nfs/dbraw/zinc/83/10/11/611831011.db2.gz MSNINGQIQGVYSX-STQMWFEESA-N 1 2 347.423 0.124 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CCN2C(=O)Cn2cc[nH+]c2)nn1 ZINC000950197503 611902258 /nfs/dbraw/zinc/90/22/58/611902258.db2.gz ZACYITMZZNKSKT-CYBMUJFWSA-N 1 2 343.391 0.082 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000949283060 611927500 /nfs/dbraw/zinc/92/75/00/611927500.db2.gz GADGOBHBHRNCAL-AWEZNQCLSA-N 1 2 340.387 0.583 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CC1)C[N@@H+]([C@H]1CCCNC1=O)CCO2 ZINC000949320159 611937967 /nfs/dbraw/zinc/93/79/67/611937967.db2.gz GTNVZKKRTRVUOK-KGLIPLIRSA-N 1 2 334.420 0.118 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CC1)C[N@H+]([C@H]1CCCNC1=O)CCO2 ZINC000949320159 611937969 /nfs/dbraw/zinc/93/79/69/611937969.db2.gz GTNVZKKRTRVUOK-KGLIPLIRSA-N 1 2 334.420 0.118 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NCC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)c1 ZINC000949351250 611948587 /nfs/dbraw/zinc/94/85/87/611948587.db2.gz URLRHVOFVMSOTC-UHFFFAOYSA-N 1 2 340.387 0.821 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCc4nn[nH]c43)CC2)C1 ZINC000949451254 611985752 /nfs/dbraw/zinc/98/57/52/611985752.db2.gz VTQMUYPQIIZENK-CQSZACIVSA-N 1 2 343.431 0.551 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCc4nn[nH]c43)CC2)C1 ZINC000949451254 611985753 /nfs/dbraw/zinc/98/57/53/611985753.db2.gz VTQMUYPQIIZENK-CQSZACIVSA-N 1 2 343.431 0.551 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[NH+](C[C@@H]3CCc4ncnn43)CC2)c1 ZINC000950406726 612003248 /nfs/dbraw/zinc/00/32/48/612003248.db2.gz FMNDZJHAVSLACO-INIZCTEOSA-N 1 2 336.399 0.600 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000949490479 612003504 /nfs/dbraw/zinc/00/35/04/612003504.db2.gz BGXLKPUMLWZJDN-ZDUSSCGKSA-N 1 2 326.360 0.491 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[NH+](CCN3CCNC3=O)CC2)cc1 ZINC000949597256 612038681 /nfs/dbraw/zinc/03/86/81/612038681.db2.gz QJTZFOGAGLCSRY-UHFFFAOYSA-N 1 2 326.400 0.451 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC000952946746 612135951 /nfs/dbraw/zinc/13/59/51/612135951.db2.gz VJHCOKYLVSLTRJ-PBHICJAKSA-N 1 2 329.404 0.884 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@]2(CCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC000953201788 612201939 /nfs/dbraw/zinc/20/19/39/612201939.db2.gz XCIWYYLJRLTPPR-KBXCAEBGSA-N 1 2 343.431 0.963 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C#CC1CC1 ZINC000952173241 612263804 /nfs/dbraw/zinc/26/38/04/612263804.db2.gz PQIDVTPLOGDWIK-RRFJBIMHSA-N 1 2 326.400 0.654 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1 ZINC000955262344 612391231 /nfs/dbraw/zinc/39/12/31/612391231.db2.gz CHJCCSNNEYMZHZ-HZPDHXFCSA-N 1 2 349.394 0.873 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1 ZINC000955262344 612391235 /nfs/dbraw/zinc/39/12/35/612391235.db2.gz CHJCCSNNEYMZHZ-HZPDHXFCSA-N 1 2 349.394 0.873 20 30 ECEDLO C=CCn1cc(C(=O)N(CC)C2C[NH+](CCn3cccn3)C2)nn1 ZINC000952424997 612424601 /nfs/dbraw/zinc/42/46/01/612424601.db2.gz AWAJWHPDAPMPPJ-UHFFFAOYSA-N 1 2 329.408 0.507 20 30 ECEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000954636356 612476184 /nfs/dbraw/zinc/47/61/84/612476184.db2.gz KNAXGAODXVCZCI-CHWSQXEVSA-N 1 2 338.371 0.696 20 30 ECEDLO CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000954636356 612476186 /nfs/dbraw/zinc/47/61/86/612476186.db2.gz KNAXGAODXVCZCI-CHWSQXEVSA-N 1 2 338.371 0.696 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000953990329 612528300 /nfs/dbraw/zinc/52/83/00/612528300.db2.gz SLOQVYAVGSGHEO-UHFFFAOYSA-N 1 2 326.360 0.145 20 30 ECEDLO C[C@@]1(NC(=O)c2c[nH]c(C#N)c2)CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000956841934 612615193 /nfs/dbraw/zinc/61/51/93/612615193.db2.gz UGQVSLKYHGENTN-QGZVFWFLSA-N 1 2 340.387 0.963 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC000954088474 612646928 /nfs/dbraw/zinc/64/69/28/612646928.db2.gz MNFNRKIEMNDSHE-NSHDSACASA-N 1 2 340.387 0.771 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC000954088474 612646929 /nfs/dbraw/zinc/64/69/29/612646929.db2.gz MNFNRKIEMNDSHE-NSHDSACASA-N 1 2 340.387 0.771 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000954105870 612668334 /nfs/dbraw/zinc/66/83/34/612668334.db2.gz YQBBXNRAURJJMD-ZIAGYGMSSA-N 1 2 338.371 0.696 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000954105870 612668338 /nfs/dbraw/zinc/66/83/38/612668338.db2.gz YQBBXNRAURJJMD-ZIAGYGMSSA-N 1 2 338.371 0.696 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000956501050 612905678 /nfs/dbraw/zinc/90/56/78/612905678.db2.gz MNXGFJGXMOUOMB-CABCVRRESA-N 1 2 346.431 0.972 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)OC)C2)CC1 ZINC000956598735 612922720 /nfs/dbraw/zinc/92/27/20/612922720.db2.gz GXODWVGCTSGQRN-CABCVRRESA-N 1 2 337.464 0.979 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)OC)C2)CC1 ZINC000956598740 612923014 /nfs/dbraw/zinc/92/30/14/612923014.db2.gz GXODWVGCTSGQRN-HUUCEWRRSA-N 1 2 337.464 0.979 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[NH+]([C@@H]3CCN(C(=O)COC)C3)CC2)C1 ZINC000956603296 612924143 /nfs/dbraw/zinc/92/41/43/612924143.db2.gz AXATWLLIGXXKFN-OAHLLOKOSA-N 1 2 335.448 0.734 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C3=COCCC3)C2)CC1 ZINC000956606890 612925013 /nfs/dbraw/zinc/92/50/13/612925013.db2.gz VWEWBXIDCYWMQH-GDBMZVCRSA-N 1 2 346.431 0.585 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC000972113291 735657242 /nfs/dbraw/zinc/65/72/42/735657242.db2.gz WMAHUGBXVHDYHQ-VIFPVBQESA-N 1 2 329.202 0.265 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC000972113291 735657246 /nfs/dbraw/zinc/65/72/46/735657246.db2.gz WMAHUGBXVHDYHQ-VIFPVBQESA-N 1 2 329.202 0.265 20 30 ECEDLO CCOCC(=O)N1CC[C@@H]([NH+]2CCN(c3nccnc3C#N)CC2)C1 ZINC001111963844 738557053 /nfs/dbraw/zinc/55/70/53/738557053.db2.gz YBTGAAIPDQRDSR-CQSZACIVSA-N 1 2 344.419 0.108 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CC([C@H](C)NC(=O)c3ncccc3O)C2)C1=O ZINC000969542667 731961965 /nfs/dbraw/zinc/96/19/65/731961965.db2.gz HROQLDWVDHTWPW-GXTWGEPZSA-N 1 2 344.415 0.624 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC000970095768 732773168 /nfs/dbraw/zinc/77/31/68/732773168.db2.gz KDONPNRTTQGTHN-RYUDHWBXSA-N 1 2 328.844 0.966 20 30 ECEDLO CN(C[C@H](O)CN(C)c1ncc(C#N)cc1F)C(=O)Cc1c[nH+]c[nH]1 ZINC001125315560 732880725 /nfs/dbraw/zinc/88/07/25/732880725.db2.gz WCYYBGSHFREUNT-ZDUSSCGKSA-N 1 2 346.366 0.314 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3cnc(C)o3)C[C@@H]21 ZINC001083198939 733103311 /nfs/dbraw/zinc/10/33/11/733103311.db2.gz ZHSRXEFLFZXQFS-LTIDMASMSA-N 1 2 347.415 0.986 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2C[N@H+](Cc3cnc(C)o3)C[C@@H]21 ZINC001083198939 733103316 /nfs/dbraw/zinc/10/33/16/733103316.db2.gz ZHSRXEFLFZXQFS-LTIDMASMSA-N 1 2 347.415 0.986 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2O)C1 ZINC000970379250 733444464 /nfs/dbraw/zinc/44/44/64/733444464.db2.gz YRAOKJFFFJETIQ-GBOPCIDUSA-N 1 2 344.415 0.557 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2O)C1 ZINC000970379250 733444469 /nfs/dbraw/zinc/44/44/69/733444469.db2.gz YRAOKJFFFJETIQ-GBOPCIDUSA-N 1 2 344.415 0.557 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC000970735731 733890309 /nfs/dbraw/zinc/89/03/09/733890309.db2.gz SPCGEVDYJJVMMQ-MRVPVSSYSA-N 1 2 342.783 0.699 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+](Cc3cnnn3CC)C2)nc1 ZINC000970763254 733925807 /nfs/dbraw/zinc/92/58/07/733925807.db2.gz KLDLZLFENJZSCU-CYBMUJFWSA-N 1 2 338.415 0.925 20 30 ECEDLO CC(C)N(CCN(C)c1ccc(C#N)nc1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125438777 734070372 /nfs/dbraw/zinc/07/03/72/734070372.db2.gz DQMAFUBDUGWTFE-QGZVFWFLSA-N 1 2 345.447 0.957 20 30 ECEDLO CC(C)N(CCN(C)c1ccc(C#N)nc1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125438777 734070375 /nfs/dbraw/zinc/07/03/75/734070375.db2.gz DQMAFUBDUGWTFE-QGZVFWFLSA-N 1 2 345.447 0.957 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)C2CN(C(C)=O)C2)C1 ZINC000971421564 734558392 /nfs/dbraw/zinc/55/83/92/734558392.db2.gz SMDFGQOOXXVMJW-ZDUSSCGKSA-N 1 2 344.253 0.906 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)C2CN(C(C)=O)C2)C1 ZINC000971421564 734558393 /nfs/dbraw/zinc/55/83/93/734558393.db2.gz SMDFGQOOXXVMJW-ZDUSSCGKSA-N 1 2 344.253 0.906 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000971451324 734609424 /nfs/dbraw/zinc/60/94/24/734609424.db2.gz LHMZMDOKJOKKGE-VHSXEESVSA-N 1 2 332.198 0.536 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000971451324 734609426 /nfs/dbraw/zinc/60/94/26/734609426.db2.gz LHMZMDOKJOKKGE-VHSXEESVSA-N 1 2 332.198 0.536 20 30 ECEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000971451616 734609442 /nfs/dbraw/zinc/60/94/42/734609442.db2.gz MCKHXZJCILKWMD-LSDHHAIUSA-N 1 2 346.362 0.838 20 30 ECEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000971451616 734609443 /nfs/dbraw/zinc/60/94/43/734609443.db2.gz MCKHXZJCILKWMD-LSDHHAIUSA-N 1 2 346.362 0.838 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC000971465650 734660846 /nfs/dbraw/zinc/66/08/46/734660846.db2.gz NJQDUHAHFIGJIG-SNVBAGLBSA-N 1 2 328.214 0.870 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC000971465650 734660847 /nfs/dbraw/zinc/66/08/47/734660847.db2.gz NJQDUHAHFIGJIG-SNVBAGLBSA-N 1 2 328.214 0.870 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971545637 734739563 /nfs/dbraw/zinc/73/95/63/734739563.db2.gz VXKBLFNQCZWNID-SNVBAGLBSA-N 1 2 329.202 0.114 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000971545637 734739565 /nfs/dbraw/zinc/73/95/65/734739565.db2.gz VXKBLFNQCZWNID-SNVBAGLBSA-N 1 2 329.202 0.114 20 30 ECEDLO Cn1nnnc1C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C#CC1CC1 ZINC001025228782 738847704 /nfs/dbraw/zinc/84/77/04/738847704.db2.gz DKJFHUNNKCBJGZ-JKSUJKDBSA-N 1 2 342.447 0.969 20 30 ECEDLO Cn1nnnc1C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C#CC1CC1 ZINC001025228782 738847707 /nfs/dbraw/zinc/84/77/07/738847707.db2.gz DKJFHUNNKCBJGZ-JKSUJKDBSA-N 1 2 342.447 0.969 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2ccnn2C)C1 ZINC000971703334 734964489 /nfs/dbraw/zinc/96/44/89/734964489.db2.gz DRWRXXIQMYAIJB-WBVHZDCISA-N 1 2 329.448 0.550 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2ccnn2C)C1 ZINC000971703334 734964491 /nfs/dbraw/zinc/96/44/91/734964491.db2.gz DRWRXXIQMYAIJB-WBVHZDCISA-N 1 2 329.448 0.550 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(CNC(C)=O)o3)[C@H]2C1 ZINC001083224628 735070336 /nfs/dbraw/zinc/07/03/36/735070336.db2.gz JMYBCSDPPLOEFA-DOTOQJQBSA-N 1 2 345.399 0.464 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(CNC(C)=O)o3)[C@H]2C1 ZINC001083224628 735070340 /nfs/dbraw/zinc/07/03/40/735070340.db2.gz JMYBCSDPPLOEFA-DOTOQJQBSA-N 1 2 345.399 0.464 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC000972083729 735623408 /nfs/dbraw/zinc/62/34/08/735623408.db2.gz GMCGXVISJNDIBH-HZPDHXFCSA-N 1 2 340.427 0.825 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC000972086722 735626406 /nfs/dbraw/zinc/62/64/06/735626406.db2.gz OPDNPBXDAGVSJE-MNOVXSKESA-N 1 2 345.241 0.451 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC000972086722 735626408 /nfs/dbraw/zinc/62/64/08/735626408.db2.gz OPDNPBXDAGVSJE-MNOVXSKESA-N 1 2 345.241 0.451 20 30 ECEDLO Cc1noc(CCC[N@@H+]2CCO[C@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)n1 ZINC000972297397 735906424 /nfs/dbraw/zinc/90/64/24/735906424.db2.gz IOYBAZGABTUTMS-CXAGYDPISA-N 1 2 347.419 0.774 20 30 ECEDLO Cc1noc(CCC[N@H+]2CCO[C@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)n1 ZINC000972297397 735906428 /nfs/dbraw/zinc/90/64/28/735906428.db2.gz IOYBAZGABTUTMS-CXAGYDPISA-N 1 2 347.419 0.774 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3cc(OC)no3)C2)C1 ZINC000972399819 736121359 /nfs/dbraw/zinc/12/13/59/736121359.db2.gz NWURSHWSDHGHGL-GOSISDBHSA-N 1 2 347.415 0.942 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3cc(OC)no3)C2)C1 ZINC000972399819 736121366 /nfs/dbraw/zinc/12/13/66/736121366.db2.gz NWURSHWSDHGHGL-GOSISDBHSA-N 1 2 347.415 0.942 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccn(C)n3)C2)C1 ZINC000972402128 736127026 /nfs/dbraw/zinc/12/70/26/736127026.db2.gz NXJFOYSXSZSTIU-SFHVURJKSA-N 1 2 330.432 0.679 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3ccn(C)n3)C2)C1 ZINC000972402128 736127030 /nfs/dbraw/zinc/12/70/30/736127030.db2.gz NXJFOYSXSZSTIU-SFHVURJKSA-N 1 2 330.432 0.679 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)nc3CC)C2)C1 ZINC000972425076 736167468 /nfs/dbraw/zinc/16/74/68/736167468.db2.gz MCHDCWXEUVUQBI-SFHVURJKSA-N 1 2 330.432 0.923 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(C)nc3CC)C2)C1 ZINC000972425076 736167473 /nfs/dbraw/zinc/16/74/73/736167473.db2.gz MCHDCWXEUVUQBI-SFHVURJKSA-N 1 2 330.432 0.923 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3nc4ncc(C)cn4n3)C2)C1 ZINC000972428661 736177221 /nfs/dbraw/zinc/17/72/21/736177221.db2.gz MNOVSXOCLGKMHZ-KRWDZBQOSA-N 1 2 342.403 0.536 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3nc4ncc(C)cn4n3)C2)C1 ZINC000972428661 736177224 /nfs/dbraw/zinc/17/72/24/736177224.db2.gz MNOVSXOCLGKMHZ-KRWDZBQOSA-N 1 2 342.403 0.536 20 30 ECEDLO C#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000972437229 736195211 /nfs/dbraw/zinc/19/52/11/736195211.db2.gz AAHNHQODUUJPFN-YJBOKZPZSA-N 1 2 328.416 0.382 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnn(CCF)c3)C2)C1 ZINC000972437266 736195458 /nfs/dbraw/zinc/19/54/58/736195458.db2.gz ANLBPUBULVNHCZ-KRWDZBQOSA-N 1 2 334.395 0.793 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnn(CCF)c3)C2)C1 ZINC000972437266 736195462 /nfs/dbraw/zinc/19/54/62/736195462.db2.gz ANLBPUBULVNHCZ-KRWDZBQOSA-N 1 2 334.395 0.793 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCn4cncc4C3)C2)C1 ZINC000972439749 736198125 /nfs/dbraw/zinc/19/81/25/736198125.db2.gz XSEBQKLGIZUHBG-CRAIPNDOSA-N 1 2 330.432 0.935 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCn4cncc4C3)C2)C1 ZINC000972439749 736198128 /nfs/dbraw/zinc/19/81/28/736198128.db2.gz XSEBQKLGIZUHBG-CRAIPNDOSA-N 1 2 330.432 0.935 20 30 ECEDLO N#CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC000972442065 736205809 /nfs/dbraw/zinc/20/58/09/736205809.db2.gz YKURUNUKFXKLAJ-PBHICJAKSA-N 1 2 329.404 0.272 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccnc4c3CC(=O)N4)C2)C1 ZINC000972449132 736225916 /nfs/dbraw/zinc/22/59/16/736225916.db2.gz HZJIIHZCRXFZMD-SFHVURJKSA-N 1 2 342.399 0.679 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccnc4c3CC(=O)N4)C2)C1 ZINC000972449132 736225920 /nfs/dbraw/zinc/22/59/20/736225920.db2.gz HZJIIHZCRXFZMD-SFHVURJKSA-N 1 2 342.399 0.679 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ncnc4[nH]ccc43)C2)C1 ZINC000972452612 736235611 /nfs/dbraw/zinc/23/56/11/736235611.db2.gz DHJGLFQHJAASJL-GOSISDBHSA-N 1 2 339.399 0.850 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ncnc4[nH]ccc43)C2)C1 ZINC000972452612 736235614 /nfs/dbraw/zinc/23/56/14/736235614.db2.gz DHJGLFQHJAASJL-GOSISDBHSA-N 1 2 339.399 0.850 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3cncc(OC)c3)C2)C1 ZINC000972459587 736251700 /nfs/dbraw/zinc/25/17/00/736251700.db2.gz XPWZYRJPOAJUKV-IBGZPJMESA-N 1 2 343.427 0.959 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3cncc(OC)c3)C2)C1 ZINC000972459587 736251702 /nfs/dbraw/zinc/25/17/02/736251702.db2.gz XPWZYRJPOAJUKV-IBGZPJMESA-N 1 2 343.427 0.959 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 ZINC000972460965 736256101 /nfs/dbraw/zinc/25/61/01/736256101.db2.gz NIVSEVCHMHTDMK-KRWDZBQOSA-N 1 2 332.404 0.769 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 ZINC000972460965 736256103 /nfs/dbraw/zinc/25/61/03/736256103.db2.gz NIVSEVCHMHTDMK-KRWDZBQOSA-N 1 2 332.404 0.769 20 30 ECEDLO N#CCN1CCO[C@@]2(CCN(C(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC000972462746 736258115 /nfs/dbraw/zinc/25/81/15/736258115.db2.gz JIXZJMCWNRTYFE-KRWDZBQOSA-N 1 2 325.372 0.775 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4nnnn4c3)C2)C1 ZINC000972463432 736262362 /nfs/dbraw/zinc/26/23/62/736262362.db2.gz SVNHLWDLIKWWGT-INIZCTEOSA-N 1 2 328.376 0.227 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4nnnn4c3)C2)C1 ZINC000972463432 736262365 /nfs/dbraw/zinc/26/23/65/736262365.db2.gz SVNHLWDLIKWWGT-INIZCTEOSA-N 1 2 328.376 0.227 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3cc(CC)nn3C)C2)C1 ZINC000972476099 736294933 /nfs/dbraw/zinc/29/49/33/736294933.db2.gz UPFSQCYXLDKXIF-IBGZPJMESA-N 1 2 344.459 0.852 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cc(CC)nn3C)C2)C1 ZINC000972476099 736294937 /nfs/dbraw/zinc/29/49/37/736294937.db2.gz UPFSQCYXLDKXIF-IBGZPJMESA-N 1 2 344.459 0.852 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3coc(C(N)=O)c3)C2)C1 ZINC000972481018 736309512 /nfs/dbraw/zinc/30/95/12/736309512.db2.gz WXEBXDQXYWMLIZ-KRWDZBQOSA-N 1 2 331.372 0.319 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3coc(C(N)=O)c3)C2)C1 ZINC000972481018 736309516 /nfs/dbraw/zinc/30/95/16/736309516.db2.gz WXEBXDQXYWMLIZ-KRWDZBQOSA-N 1 2 331.372 0.319 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccnc4c3nnn4C)C2)C1 ZINC000972524347 736571840 /nfs/dbraw/zinc/57/18/40/736571840.db2.gz RKXTWBYTNADMPW-KRWDZBQOSA-N 1 2 342.403 0.466 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccnc4c3nnn4C)C2)C1 ZINC000972524347 736571841 /nfs/dbraw/zinc/57/18/41/736571841.db2.gz RKXTWBYTNADMPW-KRWDZBQOSA-N 1 2 342.403 0.466 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC(=O)N(CCC)C3)C2)C1 ZINC000972574434 736892135 /nfs/dbraw/zinc/89/21/35/736892135.db2.gz ZXTRDYPMPOXLRM-QFBILLFUSA-N 1 2 347.459 0.572 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC(=O)N(CCC)C3)C2)C1 ZINC000972574434 736892138 /nfs/dbraw/zinc/89/21/38/736892138.db2.gz ZXTRDYPMPOXLRM-QFBILLFUSA-N 1 2 347.459 0.572 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4nncn4c3)C2)C1 ZINC000972594444 737019785 /nfs/dbraw/zinc/01/97/85/737019785.db2.gz AYGOTTFPJGPFGK-KRWDZBQOSA-N 1 2 327.388 0.832 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4nncn4c3)C2)C1 ZINC000972594444 737019789 /nfs/dbraw/zinc/01/97/89/737019789.db2.gz AYGOTTFPJGPFGK-KRWDZBQOSA-N 1 2 327.388 0.832 20 30 ECEDLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000981968953 751381550 /nfs/dbraw/zinc/38/15/50/751381550.db2.gz GENXEDAHSQEUET-SJORKVTESA-N 1 2 343.402 0.833 20 30 ECEDLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000981968953 751381554 /nfs/dbraw/zinc/38/15/54/751381554.db2.gz GENXEDAHSQEUET-SJORKVTESA-N 1 2 343.402 0.833 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCN(C(=O)CC)C3)C2)C1 ZINC000972629841 737161606 /nfs/dbraw/zinc/16/16/06/737161606.db2.gz DMHFVHRLELLQBW-MAUKXSAKSA-N 1 2 335.448 0.734 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCN(C(=O)CC)C3)C2)C1 ZINC000972629841 737161609 /nfs/dbraw/zinc/16/16/09/737161609.db2.gz DMHFVHRLELLQBW-MAUKXSAKSA-N 1 2 335.448 0.734 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCN3C(N)=O)C2)C1 ZINC000972634791 737181429 /nfs/dbraw/zinc/18/14/29/737181429.db2.gz MWYKHXXCSKDNIU-QAPCUYQASA-N 1 2 348.447 0.246 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCN3C(N)=O)C2)C1 ZINC000972634791 737181433 /nfs/dbraw/zinc/18/14/33/737181433.db2.gz MWYKHXXCSKDNIU-QAPCUYQASA-N 1 2 348.447 0.246 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCCCC(=O)N3)C2)C1 ZINC000972654514 737261223 /nfs/dbraw/zinc/26/12/23/737261223.db2.gz QUSGFFMFTFODJZ-MAUKXSAKSA-N 1 2 335.448 0.925 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CCCCC(=O)N3)C2)C1 ZINC000972654514 737261226 /nfs/dbraw/zinc/26/12/26/737261226.db2.gz QUSGFFMFTFODJZ-MAUKXSAKSA-N 1 2 335.448 0.925 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3csc4nccn34)C2)C1 ZINC000972676997 737357116 /nfs/dbraw/zinc/35/71/16/737357116.db2.gz NHYLCECCKFAUEP-KRWDZBQOSA-N 1 2 344.440 0.875 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3csc4nccn34)C2)C1 ZINC000972676997 737357121 /nfs/dbraw/zinc/35/71/21/737357121.db2.gz NHYLCECCKFAUEP-KRWDZBQOSA-N 1 2 344.440 0.875 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)N3CCCCC3=O)C2)C1 ZINC000972688849 737385755 /nfs/dbraw/zinc/38/57/55/737385755.db2.gz RAXPHHBEJLFSSD-QAPCUYQASA-N 1 2 333.432 0.324 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)N3CCCCC3=O)C2)C1 ZINC000972688849 737385759 /nfs/dbraw/zinc/38/57/59/737385759.db2.gz RAXPHHBEJLFSSD-QAPCUYQASA-N 1 2 333.432 0.324 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(OCC)cn3)C2)C1 ZINC000972704073 737495874 /nfs/dbraw/zinc/49/58/74/737495874.db2.gz YQYVOQVYKFNXQL-SFHVURJKSA-N 1 2 344.415 0.816 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc(OCC)cn3)C2)C1 ZINC000972704073 737495875 /nfs/dbraw/zinc/49/58/75/737495875.db2.gz YQYVOQVYKFNXQL-SFHVURJKSA-N 1 2 344.415 0.816 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001024378148 737935311 /nfs/dbraw/zinc/93/53/11/737935311.db2.gz HZBGLVLLCZXWTQ-QHSBEEBCSA-N 1 2 346.431 0.803 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001024378148 737935314 /nfs/dbraw/zinc/93/53/14/737935314.db2.gz HZBGLVLLCZXWTQ-QHSBEEBCSA-N 1 2 346.431 0.803 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cnnn2C)c1 ZINC001024644311 738197120 /nfs/dbraw/zinc/19/71/20/738197120.db2.gz OOPDCJZEXZCKME-MRXNPFEDSA-N 1 2 338.415 0.976 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cnnn2C)c1 ZINC001024644311 738197122 /nfs/dbraw/zinc/19/71/22/738197122.db2.gz OOPDCJZEXZCKME-MRXNPFEDSA-N 1 2 338.415 0.976 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CC(=O)NC2CC2)cn1 ZINC001024770782 738281567 /nfs/dbraw/zinc/28/15/67/738281567.db2.gz YNVBMKRRVFWZLN-QGZVFWFLSA-N 1 2 340.427 0.926 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(=O)NC2CC2)cn1 ZINC001024770782 738281570 /nfs/dbraw/zinc/28/15/70/738281570.db2.gz YNVBMKRRVFWZLN-QGZVFWFLSA-N 1 2 340.427 0.926 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001024805903 738311280 /nfs/dbraw/zinc/31/12/80/738311280.db2.gz FKDYSJMBHIVHKA-RYUDHWBXSA-N 1 2 335.857 0.401 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001024805903 738311282 /nfs/dbraw/zinc/31/12/82/738311282.db2.gz FKDYSJMBHIVHKA-RYUDHWBXSA-N 1 2 335.857 0.401 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](CCS(C)(=O)=O)C2 ZINC001112017949 739467478 /nfs/dbraw/zinc/46/74/78/739467478.db2.gz WEJOWBKTJXTWHP-DZKIICNBSA-N 1 2 344.477 0.593 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CCS(C)(=O)=O)C2 ZINC001112017949 739467479 /nfs/dbraw/zinc/46/74/79/739467479.db2.gz WEJOWBKTJXTWHP-DZKIICNBSA-N 1 2 344.477 0.593 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc[nH]2)C1 ZINC000957863883 751481304 /nfs/dbraw/zinc/48/13/04/751481304.db2.gz NWRDSCHJBDKRSS-JQWIXIFHSA-N 1 2 328.210 0.946 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc[nH]2)C1 ZINC000957863883 751481308 /nfs/dbraw/zinc/48/13/08/751481308.db2.gz NWRDSCHJBDKRSS-JQWIXIFHSA-N 1 2 328.210 0.946 20 30 ECEDLO CC(C)C[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H](C)C#N)n1cc[nH+]c1 ZINC001058658571 739906467 /nfs/dbraw/zinc/90/64/67/739906467.db2.gz GLJGTSNKGIXIDM-GJZGRUSLSA-N 1 2 349.435 0.567 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@@]34CCOC4)C2)nn1 ZINC001105359723 751519719 /nfs/dbraw/zinc/51/97/19/751519719.db2.gz TXWPKNBIFDVRHF-DOTOQJQBSA-N 1 2 329.404 0.201 20 30 ECEDLO C=CCOCC(=O)N(C)CCCN(C)c1[nH+]cnc2c1cnn2C ZINC001112045404 740424180 /nfs/dbraw/zinc/42/41/80/740424180.db2.gz TXQZMUSXPLTJKW-UHFFFAOYSA-N 1 2 332.408 0.851 20 30 ECEDLO C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ncn[nH]3)C2)nn1 ZINC001105359810 751597020 /nfs/dbraw/zinc/59/70/20/751597020.db2.gz WRTCGBGKAJITHA-UHFFFAOYSA-N 1 2 330.396 0.078 20 30 ECEDLO C#CCOc1ccc(C(=O)N2CCC[N@@H+]([C@@H](C)C(N)=O)CC2)cc1 ZINC000982111064 751605063 /nfs/dbraw/zinc/60/50/63/751605063.db2.gz MUNTYJPAURKQIA-AWEZNQCLSA-N 1 2 329.400 0.720 20 30 ECEDLO C#CCOc1ccc(C(=O)N2CCC[N@H+]([C@@H](C)C(N)=O)CC2)cc1 ZINC000982111064 751605066 /nfs/dbraw/zinc/60/50/66/751605066.db2.gz MUNTYJPAURKQIA-AWEZNQCLSA-N 1 2 329.400 0.720 20 30 ECEDLO C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)C[C@@H]21 ZINC001026376772 741117926 /nfs/dbraw/zinc/11/79/26/741117926.db2.gz GBKDHHCWFZGASH-FPMFFAJLSA-N 1 2 342.403 0.084 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1 ZINC000974269376 741207952 /nfs/dbraw/zinc/20/79/52/741207952.db2.gz ADPCFAQMSLXPAP-QKPAOTATSA-N 1 2 349.394 0.967 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1 ZINC000974269376 741207957 /nfs/dbraw/zinc/20/79/57/741207957.db2.gz ADPCFAQMSLXPAP-QKPAOTATSA-N 1 2 349.394 0.967 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)CCCCOC)C2)nn1 ZINC001105185686 741449353 /nfs/dbraw/zinc/44/93/53/741449353.db2.gz QVKIDJWZQUXELP-UHFFFAOYSA-N 1 2 349.435 0.218 20 30 ECEDLO C#CCCCC(=O)N1CC(n2cc(C[NH2+]CC(=O)NC(C)C)nn2)C1 ZINC001105225708 741507884 /nfs/dbraw/zinc/50/78/84/741507884.db2.gz ZTVWPYFSEMSSLH-UHFFFAOYSA-N 1 2 346.435 0.079 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@H](Nc1nc(N(C)C)nc(C)[nH+]1)C(C)C ZINC001105227012 741512585 /nfs/dbraw/zinc/51/25/85/741512585.db2.gz VYUINEATCHEWOB-JSGCOSHPSA-N 1 2 348.451 0.837 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC(n2cc(C[NH2+]C[C@H](F)CC)nn2)C1 ZINC001105240475 741531639 /nfs/dbraw/zinc/53/16/39/741531639.db2.gz OONCFTCNAATUBV-QWHCGFSZSA-N 1 2 337.399 0.537 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3c(Cl)cnn3C)C2)nn1 ZINC001105240610 741534126 /nfs/dbraw/zinc/53/41/26/741534126.db2.gz UHTLGLOFOWDDRU-UHFFFAOYSA-N 1 2 347.810 0.475 20 30 ECEDLO C#CCC[NH2+]Cc1cn(C2CN(C(=O)C(F)C(F)(F)F)C2)nn1 ZINC001105243720 741543026 /nfs/dbraw/zinc/54/30/26/741543026.db2.gz HLWCSLBHVOVRFI-NSHDSACASA-N 1 2 333.289 0.675 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccnn3C(F)F)C2)nn1 ZINC001105249097 741552071 /nfs/dbraw/zinc/55/20/71/741552071.db2.gz JDTUCVNDPDBGHN-UHFFFAOYSA-N 1 2 335.318 0.290 20 30 ECEDLO C=C(C)CCC(=O)N1CC(n2cc(C[NH2+][C@H](C)C(=O)N(C)C)nn2)C1 ZINC001105254374 741568661 /nfs/dbraw/zinc/56/86/61/741568661.db2.gz XEWJYHDMNBOGLK-CYBMUJFWSA-N 1 2 348.451 0.584 20 30 ECEDLO C=C(C)C[NH2+]C1CCC(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001026578102 741572119 /nfs/dbraw/zinc/57/21/19/741572119.db2.gz NGUOXWRIRCOXPA-UHFFFAOYSA-N 1 2 344.419 0.664 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccn4ccccc34)C2)nn1 ZINC001105280835 741636321 /nfs/dbraw/zinc/63/63/21/741636321.db2.gz GDGKOJMEMGARDP-UHFFFAOYSA-N 1 2 334.383 0.951 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CC(n2cc(C[NH2+][C@H](C)C(=O)NC)nn2)C1 ZINC001105310241 741715695 /nfs/dbraw/zinc/71/56/95/741715695.db2.gz VBRIOGQWYJXORM-CHWSQXEVSA-N 1 2 348.451 0.488 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc4nonc4c3)C2)nn1 ZINC001105318730 741763980 /nfs/dbraw/zinc/76/39/80/741763980.db2.gz MRKUUKLNJQAYTR-UHFFFAOYSA-N 1 2 337.343 0.234 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3C[C@@H]3C)C2)nn1 ZINC001105320603 741774693 /nfs/dbraw/zinc/77/46/93/741774693.db2.gz CMXYOUIFDWAZNP-KBPBESRZSA-N 1 2 331.420 0.447 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)C3(C(C)C)CC3)C2)nn1 ZINC001105324097 741790676 /nfs/dbraw/zinc/79/06/76/741790676.db2.gz ROCQUBDICASBLM-UHFFFAOYSA-N 1 2 345.447 0.837 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccn4cc(C)nc4c3)C2)nn1 ZINC001105327046 741808212 /nfs/dbraw/zinc/80/82/12/741808212.db2.gz PWWWNIAURTYRFR-UHFFFAOYSA-N 1 2 349.398 0.654 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)nc1 ZINC000974678585 741995169 /nfs/dbraw/zinc/99/51/69/741995169.db2.gz HMYKDDXFYCWSRT-RHSMWYFYSA-N 1 2 349.394 0.702 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C(C)(C)C1 ZINC000974781519 742170631 /nfs/dbraw/zinc/17/06/31/742170631.db2.gz HSAWUIKBKLHZKG-LLVKDONJSA-N 1 2 340.811 0.528 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C(C)(C)C1 ZINC000974781519 742170632 /nfs/dbraw/zinc/17/06/32/742170632.db2.gz HSAWUIKBKLHZKG-LLVKDONJSA-N 1 2 340.811 0.528 20 30 ECEDLO C#Cc1cncc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2c[nH]c[nH+]2)C3)c1 ZINC001006724339 751731908 /nfs/dbraw/zinc/73/19/08/751731908.db2.gz SZTHOVLMCDWROK-ZACQAIPSSA-N 1 2 349.394 0.890 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@]2(C)C[N@@H+]([C@H](C)c3nnnn3C)C[C@]2(C)C1 ZINC000982237310 751748281 /nfs/dbraw/zinc/74/82/81/751748281.db2.gz ZJSUWHCEMVNYPD-BHTHQVBYSA-N 1 2 331.424 0.601 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@]2(C)C[N@H+]([C@H](C)c3nnnn3C)C[C@]2(C)C1 ZINC000982237310 751748285 /nfs/dbraw/zinc/74/82/85/751748285.db2.gz ZJSUWHCEMVNYPD-BHTHQVBYSA-N 1 2 331.424 0.601 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]([C@H](C)c3nnnn3C)C2)cn1 ZINC001028941616 742937172 /nfs/dbraw/zinc/93/71/72/742937172.db2.gz ZOPUDUDMDXVRJB-CHWSQXEVSA-N 1 2 339.403 0.399 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]([C@H](C)c3nnnn3C)C2)cn1 ZINC001028941616 742937180 /nfs/dbraw/zinc/93/71/80/742937180.db2.gz ZOPUDUDMDXVRJB-CHWSQXEVSA-N 1 2 339.403 0.399 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N(C)CCN(C)c1[nH+]cnc2c1cnn2C ZINC001105379738 743019530 /nfs/dbraw/zinc/01/95/30/743019530.db2.gz JCMJTVWTKXKAGU-MRXNPFEDSA-N 1 2 332.408 0.585 20 30 ECEDLO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1noc(-c2ccccc2)n1 ZINC001125998289 743158788 /nfs/dbraw/zinc/15/87/88/743158788.db2.gz OFDXGFYXZAMDPI-UHFFFAOYSA-N 1 2 341.371 0.082 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@@H]21 ZINC000975863802 743348227 /nfs/dbraw/zinc/34/82/27/743348227.db2.gz PBWDSFAMWSAICD-ILXRZTDVSA-N 1 2 343.431 0.962 20 30 ECEDLO C#Cc1ccccc1CC(=O)NC1CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000997236535 743387341 /nfs/dbraw/zinc/38/73/41/743387341.db2.gz TWDFHEVGHSMZFZ-UHFFFAOYSA-N 1 2 336.395 0.812 20 30 ECEDLO N#Cc1cc(C(=O)N[C@H]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)c[nH]1 ZINC000983568808 743463859 /nfs/dbraw/zinc/46/38/59/743463859.db2.gz RWTWBFBOGVMQTL-KBPBESRZSA-N 1 2 340.387 0.940 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC(C)(C)COC)C2)nn1 ZINC001098694888 743475738 /nfs/dbraw/zinc/47/57/38/743475738.db2.gz MAGWVELDRKXCTB-OAHLLOKOSA-N 1 2 333.436 0.837 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000976592918 744118662 /nfs/dbraw/zinc/11/86/62/744118662.db2.gz TVOHOLUHZLCCGE-KDEOKCCVSA-N 1 2 344.415 0.506 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cc(C)nn3C)C2)nn1 ZINC001098625255 744143355 /nfs/dbraw/zinc/14/33/55/744143355.db2.gz ALDHAIHPHWLACY-CQSZACIVSA-N 1 2 327.392 0.130 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000976727681 744250681 /nfs/dbraw/zinc/25/06/81/744250681.db2.gz ZVMJUJRCNFCZBL-KBEGMRNHSA-N 1 2 338.411 0.432 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000976727895 744251006 /nfs/dbraw/zinc/25/10/06/744251006.db2.gz NPIBENWFOCSGQC-XSXPHNMFSA-N 1 2 327.388 0.178 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]31)C2 ZINC000976724330 744271156 /nfs/dbraw/zinc/27/11/56/744271156.db2.gz APKAQPHORCSMKE-GKFOWCRESA-N 1 2 341.415 0.556 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]31)CC2 ZINC000976724330 744271160 /nfs/dbraw/zinc/27/11/60/744271160.db2.gz APKAQPHORCSMKE-GKFOWCRESA-N 1 2 341.415 0.556 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000998752827 744315428 /nfs/dbraw/zinc/31/54/28/744315428.db2.gz KKHFXSVLMXPECW-NWDGAFQWSA-N 1 2 328.376 0.263 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)COC3CCCC3)C2)nn1 ZINC001098625805 744589785 /nfs/dbraw/zinc/58/97/85/744589785.db2.gz IOKHBTNGUCWQKC-OAHLLOKOSA-N 1 2 331.420 0.734 20 30 ECEDLO CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)CC3CS(=O)(=O)C3)C[C@@]2(C)C1 ZINC000982320750 751956735 /nfs/dbraw/zinc/95/67/35/751956735.db2.gz VQTVCGFRGWXFAT-CALCHBBNSA-N 1 2 338.473 0.615 20 30 ECEDLO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)CC3CS(=O)(=O)C3)C[C@@]2(C)C1 ZINC000982320750 751956744 /nfs/dbraw/zinc/95/67/44/751956744.db2.gz VQTVCGFRGWXFAT-CALCHBBNSA-N 1 2 338.473 0.615 20 30 ECEDLO N#CCSCC(=O)N1CC[C@@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001059197282 745112357 /nfs/dbraw/zinc/11/23/57/745112357.db2.gz AQFARBPEOOIJPV-CQSZACIVSA-N 1 2 349.460 0.885 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)Cc3cccnc3)[C@@H](O)C2)s1 ZINC001083407940 745116930 /nfs/dbraw/zinc/11/69/30/745116930.db2.gz LZMVILZHLVJVOY-CVEARBPZSA-N 1 2 342.424 0.919 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)Cc3cccnc3)[C@@H](O)C2)s1 ZINC001083407940 745116932 /nfs/dbraw/zinc/11/69/32/745116932.db2.gz LZMVILZHLVJVOY-CVEARBPZSA-N 1 2 342.424 0.919 20 30 ECEDLO CN(C[C@@H]1CCN1C(=O)CCc1c[nH]c[nH+]1)C(=O)c1cc(C#N)c[nH]1 ZINC000977528198 745147966 /nfs/dbraw/zinc/14/79/66/745147966.db2.gz KHXCBKSFFYDPEV-AWEZNQCLSA-N 1 2 340.387 0.915 20 30 ECEDLO CN(C[C@@H]1CCN1C(=O)CCc1c[nH+]c[nH]1)C(=O)c1cc(C#N)c[nH]1 ZINC000977528198 745147970 /nfs/dbraw/zinc/14/79/70/745147970.db2.gz KHXCBKSFFYDPEV-AWEZNQCLSA-N 1 2 340.387 0.915 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H]1C ZINC001088569753 751977157 /nfs/dbraw/zinc/97/71/57/751977157.db2.gz JFKPGPYCHKIBCP-ZJUUUORDSA-N 1 2 329.202 0.161 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cn2ncnn2)[C@H]1C ZINC001088569753 751977165 /nfs/dbraw/zinc/97/71/65/751977165.db2.gz JFKPGPYCHKIBCP-ZJUUUORDSA-N 1 2 329.202 0.161 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001006922261 751980516 /nfs/dbraw/zinc/98/05/16/751980516.db2.gz YGVHXENPISTEQC-HZPDHXFCSA-N 1 2 326.400 0.917 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001006922261 751980521 /nfs/dbraw/zinc/98/05/21/751980521.db2.gz YGVHXENPISTEQC-HZPDHXFCSA-N 1 2 326.400 0.917 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001000134928 745286222 /nfs/dbraw/zinc/28/62/22/745286222.db2.gz QSFXCEODPWCIJE-UGUYLWEFSA-N 1 2 347.459 0.921 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001000134928 745286224 /nfs/dbraw/zinc/28/62/24/745286224.db2.gz QSFXCEODPWCIJE-UGUYLWEFSA-N 1 2 347.459 0.921 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H]2COCCN2C(C)=O)C(C)(C)C1 ZINC000977617962 745300639 /nfs/dbraw/zinc/30/06/39/745300639.db2.gz PIYFNOYHYGSNBU-KBPBESRZSA-N 1 2 343.855 0.813 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H]2COCCN2C(C)=O)C(C)(C)C1 ZINC000977617962 745300642 /nfs/dbraw/zinc/30/06/42/745300642.db2.gz PIYFNOYHYGSNBU-KBPBESRZSA-N 1 2 343.855 0.813 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](CCC)OC)C2)nn1 ZINC001098698682 745356159 /nfs/dbraw/zinc/35/61/59/745356159.db2.gz WZKZUYGQPMFSMZ-HZPDHXFCSA-N 1 2 333.436 0.980 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCS(=O)(=O)CC1 ZINC001029244369 745426658 /nfs/dbraw/zinc/42/66/58/745426658.db2.gz DWMADYUOSHEVBM-AEGPPILISA-N 1 2 339.461 0.646 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCS(=O)(=O)CC1 ZINC001029244369 745426663 /nfs/dbraw/zinc/42/66/63/745426663.db2.gz DWMADYUOSHEVBM-AEGPPILISA-N 1 2 339.461 0.646 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001029245671 745432105 /nfs/dbraw/zinc/43/21/05/745432105.db2.gz YUOFDFFXHWDPQK-BARDWOONSA-N 1 2 339.461 0.646 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H]1CCS(=O)(=O)C1 ZINC001029245671 745432106 /nfs/dbraw/zinc/43/21/06/745432106.db2.gz YUOFDFFXHWDPQK-BARDWOONSA-N 1 2 339.461 0.646 20 30 ECEDLO C=C(C)C[NH2+][C@H]1CCCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001000478140 745533464 /nfs/dbraw/zinc/53/34/64/745533464.db2.gz BEEFFEBXRKWXQY-LBPRGKRZSA-N 1 2 330.392 0.228 20 30 ECEDLO CCc1noc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)n1 ZINC000977979015 745739859 /nfs/dbraw/zinc/73/98/59/745739859.db2.gz QUPISLQSGFOMMJ-XYYAHUGASA-N 1 2 340.387 0.940 20 30 ECEDLO CCc1noc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@@H]3C2)n1 ZINC000977979015 745739862 /nfs/dbraw/zinc/73/98/62/745739862.db2.gz QUPISLQSGFOMMJ-XYYAHUGASA-N 1 2 340.387 0.940 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2C(=O)Cn2cc[nH+]c2)nc1 ZINC000978094449 745910474 /nfs/dbraw/zinc/91/04/74/745910474.db2.gz AUZVHOQSYFKDTO-HNNXBMFYSA-N 1 2 337.383 0.633 20 30 ECEDLO N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)nn1 ZINC001059331089 745969159 /nfs/dbraw/zinc/96/91/59/745969159.db2.gz BFLGMOUULPPKQE-UBHSHLNASA-N 1 2 337.387 0.866 20 30 ECEDLO N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)n1 ZINC001059338879 746021279 /nfs/dbraw/zinc/02/12/79/746021279.db2.gz MKXQQLXRUMMYFD-JHJVBQTASA-N 1 2 337.387 0.866 20 30 ECEDLO CN(CCN(C)c1ncnc2c1C[N@H+](C)CC2)C(=O)C#CC1CC1 ZINC001105396395 746108868 /nfs/dbraw/zinc/10/88/68/746108868.db2.gz ZHBMHQBRMYILTM-UHFFFAOYSA-N 1 2 327.432 0.773 20 30 ECEDLO CN(CCN(C)c1ncnc2c1C[N@@H+](C)CC2)C(=O)C#CC1CC1 ZINC001105396395 746108873 /nfs/dbraw/zinc/10/88/73/746108873.db2.gz ZHBMHQBRMYILTM-UHFFFAOYSA-N 1 2 327.432 0.773 20 30 ECEDLO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001027618533 746271469 /nfs/dbraw/zinc/27/14/69/746271469.db2.gz KDEMHNYSTWZENP-LBPRGKRZSA-N 1 2 330.392 0.180 20 30 ECEDLO C=CC[N@H+](C)[C@H]1CCCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001027618533 746271477 /nfs/dbraw/zinc/27/14/77/746271477.db2.gz KDEMHNYSTWZENP-LBPRGKRZSA-N 1 2 330.392 0.180 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC[NH+](Cc2nnnn2C)CC1 ZINC001001408371 746348374 /nfs/dbraw/zinc/34/83/74/746348374.db2.gz IAVFRVDZHBPVSF-CABCVRRESA-N 1 2 348.451 0.520 20 30 ECEDLO CC(C)n1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2C1 ZINC001087910928 746645197 /nfs/dbraw/zinc/64/51/97/746645197.db2.gz DPTBDYBXOWMGRT-MCIONIFRSA-N 1 2 331.424 0.694 20 30 ECEDLO CC(C)n1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2C1 ZINC001087910928 746645199 /nfs/dbraw/zinc/64/51/99/746645199.db2.gz DPTBDYBXOWMGRT-MCIONIFRSA-N 1 2 331.424 0.694 20 30 ECEDLO Cc1cc(NC(=O)C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]3C2)on1 ZINC001087911341 746645785 /nfs/dbraw/zinc/64/57/85/746645785.db2.gz RJAWFSYFEIIKPP-YUTCNCBUSA-N 1 2 345.403 0.862 20 30 ECEDLO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H](C)C#N)C[C@@H]3C2)on1 ZINC001087911341 746645787 /nfs/dbraw/zinc/64/57/87/746645787.db2.gz RJAWFSYFEIIKPP-YUTCNCBUSA-N 1 2 345.403 0.862 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N3Cc2c[nH+]cn2C)nn1 ZINC001029507694 747200880 /nfs/dbraw/zinc/20/08/80/747200880.db2.gz XMQGNLFEFCLONR-OKILXGFUSA-N 1 2 341.419 0.687 20 30 ECEDLO Cc1noc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)n1 ZINC000979262078 747487009 /nfs/dbraw/zinc/48/70/09/747487009.db2.gz CFQICSIEJDJOQK-YGRLFVJLSA-N 1 2 344.375 0.597 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](CC)C(N)=O)cn1 ZINC001029558584 747499624 /nfs/dbraw/zinc/49/96/24/747499624.db2.gz MPHZYKJMHNHLSO-XHSDSOJGSA-N 1 2 326.400 0.616 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](CC)C(N)=O)cn1 ZINC001029558584 747499628 /nfs/dbraw/zinc/49/96/28/747499628.db2.gz MPHZYKJMHNHLSO-XHSDSOJGSA-N 1 2 326.400 0.616 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001002657347 747626103 /nfs/dbraw/zinc/62/61/03/747626103.db2.gz ONDYTICXWXLAPD-OAGGEKHMSA-N 1 2 346.431 0.924 20 30 ECEDLO O=C(C#CC1CC1)N1CC(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001002779648 747773009 /nfs/dbraw/zinc/77/30/09/747773009.db2.gz WTMVOKNIASTLSM-OAHLLOKOSA-N 1 2 326.400 0.434 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1CN(C(=O)[C@@H](C)C#N)C1)C2 ZINC001002782428 747778737 /nfs/dbraw/zinc/77/87/37/747778737.db2.gz QRUIRBKHWNAYTA-GWCFXTLKSA-N 1 2 329.404 0.557 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1CN(C(=O)[C@@H](C)C#N)C1)CC2 ZINC001002782428 747778743 /nfs/dbraw/zinc/77/87/43/747778743.db2.gz QRUIRBKHWNAYTA-GWCFXTLKSA-N 1 2 329.404 0.557 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)COC(C)C)[C@H](OC)C2)C1=O ZINC001211982070 752223667 /nfs/dbraw/zinc/22/36/67/752223667.db2.gz MHRINQYMEXMZKW-QLFBSQMISA-N 1 2 339.436 0.014 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)COC(C)C)[C@H](OC)C2)C1=O ZINC001211982070 752223670 /nfs/dbraw/zinc/22/36/70/752223670.db2.gz MHRINQYMEXMZKW-QLFBSQMISA-N 1 2 339.436 0.014 20 30 ECEDLO Cc1nnc(C[N@H+](C)C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)[nH]1 ZINC001029708263 748111468 /nfs/dbraw/zinc/11/14/68/748111468.db2.gz NJDPZDFBFXSDEU-LBPRGKRZSA-N 1 2 327.392 0.907 20 30 ECEDLO Cc1nnc(C[N@@H+](C)C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)[nH]1 ZINC001029708263 748111473 /nfs/dbraw/zinc/11/14/73/748111473.db2.gz NJDPZDFBFXSDEU-LBPRGKRZSA-N 1 2 327.392 0.907 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)Cc2cn(C)nn2)CC1 ZINC000985473075 748206753 /nfs/dbraw/zinc/20/67/53/748206753.db2.gz GGAHFWLPXSNSCA-KRWDZBQOSA-N 1 2 344.463 0.336 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)Cc2cn(C)nn2)CC1 ZINC000985473075 748206759 /nfs/dbraw/zinc/20/67/59/748206759.db2.gz GGAHFWLPXSNSCA-KRWDZBQOSA-N 1 2 344.463 0.336 20 30 ECEDLO CCCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1OC ZINC001211988733 752275999 /nfs/dbraw/zinc/27/59/99/752275999.db2.gz IRWFNVFFNGRCNM-BZUAXINKSA-N 1 2 326.437 0.657 20 30 ECEDLO CCCCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1OC ZINC001211988733 752276002 /nfs/dbraw/zinc/27/60/02/752276002.db2.gz IRWFNVFFNGRCNM-BZUAXINKSA-N 1 2 326.437 0.657 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2CN(C(=O)Cc3c[nH+]cn3C)C2)cn1 ZINC001003468835 748586644 /nfs/dbraw/zinc/58/66/44/748586644.db2.gz WHYZQYXVOKOJNP-UHFFFAOYSA-N 1 2 337.383 0.227 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3ncnn3C)C2)c1 ZINC001029835041 748667807 /nfs/dbraw/zinc/66/78/07/748667807.db2.gz LROSWVCGHXZEER-HNNXBMFYSA-N 1 2 338.415 0.786 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3ncnn3C)C2)c1 ZINC001029835041 748667814 /nfs/dbraw/zinc/66/78/14/748667814.db2.gz LROSWVCGHXZEER-HNNXBMFYSA-N 1 2 338.415 0.786 20 30 ECEDLO CN(CCN(C)c1cnc(C#N)cn1)C(=O)CCCn1cc[nH+]c1 ZINC001105417636 748668941 /nfs/dbraw/zinc/66/89/41/748668941.db2.gz JJORVUUZLPMVLI-UHFFFAOYSA-N 1 2 327.392 0.920 20 30 ECEDLO CN(CCN(C)c1ccnc(C#N)n1)C(=O)CCCn1cc[nH+]c1 ZINC001105417829 748682470 /nfs/dbraw/zinc/68/24/70/748682470.db2.gz QPEFTEXRXJPNDB-UHFFFAOYSA-N 1 2 327.392 0.920 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)[C@H]1C ZINC001088603165 752303015 /nfs/dbraw/zinc/30/30/15/752303015.db2.gz BQYJWDFNHOVPGL-UTUOFQBUSA-N 1 2 344.253 0.952 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)[C@H]1C ZINC001088603165 752303023 /nfs/dbraw/zinc/30/30/23/752303023.db2.gz BQYJWDFNHOVPGL-UTUOFQBUSA-N 1 2 344.253 0.952 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001003649800 748762528 /nfs/dbraw/zinc/76/25/28/748762528.db2.gz LZHDLRHSBVPTDZ-KGLIPLIRSA-N 1 2 330.450 0.203 20 30 ECEDLO C=CCn1cc(C(=O)NC2CC[NH+](Cc3cc(C)n(C)n3)CC2)nn1 ZINC001003759854 748867058 /nfs/dbraw/zinc/86/70/58/748867058.db2.gz QJIWKOYYLNBAOK-UHFFFAOYSA-N 1 2 343.435 0.900 20 30 ECEDLO C=CCC[NH+]1CCC(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001003805998 748918586 /nfs/dbraw/zinc/91/85/86/748918586.db2.gz HZHQIUHQJJQIBX-UHFFFAOYSA-N 1 2 330.392 0.228 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3ocnc3C)CC2)CC1 ZINC000985830222 749198551 /nfs/dbraw/zinc/19/85/51/749198551.db2.gz ZOMAIVXLGYDDSG-UHFFFAOYSA-N 1 2 347.419 0.664 20 30 ECEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCOCC2=O)CC1 ZINC001004455665 749521312 /nfs/dbraw/zinc/52/13/12/749521312.db2.gz FKKNAQBGFLISFV-HNNXBMFYSA-N 1 2 334.420 0.072 20 30 ECEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCOCC2=O)CC1 ZINC001004455665 749521319 /nfs/dbraw/zinc/52/13/19/749521319.db2.gz FKKNAQBGFLISFV-HNNXBMFYSA-N 1 2 334.420 0.072 20 30 ECEDLO CCN1CCOC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004475929 749545717 /nfs/dbraw/zinc/54/57/17/749545717.db2.gz AJGFJCPDQCPJRS-IAGOWNOFSA-N 1 2 334.464 0.934 20 30 ECEDLO CCN1CCOC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004475929 749545720 /nfs/dbraw/zinc/54/57/20/749545720.db2.gz AJGFJCPDQCPJRS-IAGOWNOFSA-N 1 2 334.464 0.934 20 30 ECEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccc3nnnn3c2)CC1 ZINC001004484919 749557184 /nfs/dbraw/zinc/55/71/84/749557184.db2.gz NMERALCITVUXQM-OAHLLOKOSA-N 1 2 339.403 0.964 20 30 ECEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccc3nnnn3c2)CC1 ZINC001004484919 749557188 /nfs/dbraw/zinc/55/71/88/749557188.db2.gz NMERALCITVUXQM-OAHLLOKOSA-N 1 2 339.403 0.964 20 30 ECEDLO C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001004725104 749782869 /nfs/dbraw/zinc/78/28/69/749782869.db2.gz JVOMKFLXUPAAFT-WFASDCNBSA-N 1 2 340.387 0.750 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000980578892 749807348 /nfs/dbraw/zinc/80/73/48/749807348.db2.gz FLOILLDMMRNADH-SYQHCUMBSA-N 1 2 332.404 0.554 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[N@H+](C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000980848713 750258762 /nfs/dbraw/zinc/25/87/62/750258762.db2.gz AMCOGKJAINEWSA-UONOGXRCSA-N 1 2 327.450 0.505 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[N@@H+](C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000980848713 750258766 /nfs/dbraw/zinc/25/87/66/750258766.db2.gz AMCOGKJAINEWSA-UONOGXRCSA-N 1 2 327.450 0.505 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[N@H+](CC(=O)N2CCOC[C@H]2C2CC2)CC1 ZINC000980848861 750259087 /nfs/dbraw/zinc/25/90/87/750259087.db2.gz CIGPWMVGZGJYFM-HOCLYGCPSA-N 1 2 348.447 0.318 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[N@@H+](CC(=O)N2CCOC[C@H]2C2CC2)CC1 ZINC000980848861 750259090 /nfs/dbraw/zinc/25/90/90/750259090.db2.gz CIGPWMVGZGJYFM-HOCLYGCPSA-N 1 2 348.447 0.318 20 30 ECEDLO C=CCCOCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001051425941 762048908 /nfs/dbraw/zinc/04/89/08/762048908.db2.gz DSHPHIFMUQJUJZ-KBPBESRZSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCCOCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001051425943 762049121 /nfs/dbraw/zinc/04/91/21/762049121.db2.gz DSHPHIFMUQJUJZ-UONOGXRCSA-N 1 2 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/nfs/dbraw/zinc/67/26/45/752672645.db2.gz BSYWJBHUBCDADO-AWEZNQCLSA-N 1 2 326.462 0.968 20 30 ECEDLO CO[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001212080816 752695790 /nfs/dbraw/zinc/69/57/90/752695790.db2.gz AGLGHGGMPMPSRI-ZIAGYGMSSA-N 1 2 347.419 0.230 20 30 ECEDLO CO[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001212080816 752695796 /nfs/dbraw/zinc/69/57/96/752695796.db2.gz AGLGHGGMPMPSRI-ZIAGYGMSSA-N 1 2 347.419 0.230 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)/C=C\c2ccco2)[C@H](OC)C1 ZINC001211787798 752738279 /nfs/dbraw/zinc/73/82/79/752738279.db2.gz PCNNJAPRYISEOE-GORQFHSWSA-N 1 2 345.399 0.246 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)/C=C\c2ccco2)[C@H](OC)C1 ZINC001211787798 752738284 /nfs/dbraw/zinc/73/82/84/752738284.db2.gz PCNNJAPRYISEOE-GORQFHSWSA-N 1 2 345.399 0.246 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC2CCCCC2)[C@H](OC)C1 ZINC001211797644 752773344 /nfs/dbraw/zinc/77/33/44/752773344.db2.gz 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/nfs/dbraw/zinc/44/86/95/753448695.db2.gz XPVVYTRZZBIYON-YLLUOSTHSA-N 1 2 343.449 0.399 20 30 ECEDLO Cn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)cn1 ZINC001083331704 753577507 /nfs/dbraw/zinc/57/75/07/753577507.db2.gz VHAGCPFGGRGVEU-CVEARBPZSA-N 1 2 325.372 0.267 20 30 ECEDLO Cn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)cn1 ZINC001083331704 753577510 /nfs/dbraw/zinc/57/75/10/753577510.db2.gz VHAGCPFGGRGVEU-CVEARBPZSA-N 1 2 325.372 0.267 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[C@@H]3CCCO3)[C@@H](O)C2)s1 ZINC001083352152 753646645 /nfs/dbraw/zinc/64/66/45/753646645.db2.gz ZDXPGQKNEBKREL-GLQYFDAESA-N 1 2 335.429 0.850 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C[C@@H]3CCCO3)[C@@H](O)C2)s1 ZINC001083352152 753646650 /nfs/dbraw/zinc/64/66/50/753646650.db2.gz ZDXPGQKNEBKREL-GLQYFDAESA-N 1 2 335.429 0.850 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O)[C@H]1CCOC1 ZINC001083361264 753678182 /nfs/dbraw/zinc/67/81/82/753678182.db2.gz 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C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCOCC3)C2)C1 ZINC001008438202 753738419 /nfs/dbraw/zinc/73/84/19/753738419.db2.gz TVWYKUOEURLDTG-HNNXBMFYSA-N 1 2 335.448 0.782 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N3CCOCC3)C2)C1 ZINC001008438202 753738425 /nfs/dbraw/zinc/73/84/25/753738425.db2.gz TVWYKUOEURLDTG-HNNXBMFYSA-N 1 2 335.448 0.782 20 30 ECEDLO CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001105493971 753738856 /nfs/dbraw/zinc/73/88/56/753738856.db2.gz QBGCCWOPGOBJCV-CYBMUJFWSA-N 1 2 339.403 0.702 20 30 ECEDLO CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001105493762 753738866 /nfs/dbraw/zinc/73/88/66/753738866.db2.gz OCLQKJMSJXYMGJ-CYBMUJFWSA-N 1 2 339.403 0.702 20 30 ECEDLO C#CCOc1ncccc1C(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000989508396 754050834 /nfs/dbraw/zinc/05/08/34/754050834.db2.gz GFLTZOFMHSDFNC-HNNXBMFYSA-N 1 2 342.399 0.130 20 30 ECEDLO C#CCOc1ncccc1C(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000989508396 754050840 /nfs/dbraw/zinc/05/08/40/754050840.db2.gz GFLTZOFMHSDFNC-HNNXBMFYSA-N 1 2 342.399 0.130 20 30 ECEDLO C=CCCn1cc(C(=O)N2C[C@H]([NH2+]Cc3nc(C)no3)C[C@H]2C)nn1 ZINC000989544297 754092998 /nfs/dbraw/zinc/09/29/98/754092998.db2.gz QMQLONWXTBZTII-DGCLKSJQSA-N 1 2 345.407 0.938 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)c1 ZINC000982891850 754105553 /nfs/dbraw/zinc/10/55/53/754105553.db2.gz COZKHLONVIPADW-GFCCVEGCSA-N 1 2 340.387 0.821 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)c1 ZINC000982891850 754105559 /nfs/dbraw/zinc/10/55/59/754105559.db2.gz COZKHLONVIPADW-GFCCVEGCSA-N 1 2 340.387 0.821 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCN(CC)C3=O)C2)nn1 ZINC001008800888 754132887 /nfs/dbraw/zinc/13/28/87/754132887.db2.gz SEMKTHPOXQRLFS-HIFRSBDPSA-N 1 2 346.435 0.279 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCN(CC)C3=O)C2)nn1 ZINC001008800888 754132890 /nfs/dbraw/zinc/13/28/90/754132890.db2.gz SEMKTHPOXQRLFS-HIFRSBDPSA-N 1 2 346.435 0.279 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cncn3C)C2)nn1 ZINC001008815454 754148598 /nfs/dbraw/zinc/14/85/98/754148598.db2.gz QNZAVWXIJZEROM-AWEZNQCLSA-N 1 2 343.435 0.982 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cncn3C)C2)nn1 ZINC001008815454 754148605 /nfs/dbraw/zinc/14/86/05/754148605.db2.gz QNZAVWXIJZEROM-AWEZNQCLSA-N 1 2 343.435 0.982 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CCCN(Cc3c[nH+]cn3C)C2)nn1 ZINC001008815454 754148612 /nfs/dbraw/zinc/14/86/12/754148612.db2.gz QNZAVWXIJZEROM-AWEZNQCLSA-N 1 2 343.435 0.982 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](Nc2[nH+]cnc3c2cnn3C)C1 ZINC001059072290 754279363 /nfs/dbraw/zinc/27/93/63/754279363.db2.gz SHQANOZDYXVXHY-SCRDCRAPSA-N 1 2 342.403 0.967 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)c1 ZINC001008918338 754308243 /nfs/dbraw/zinc/30/82/43/754308243.db2.gz IAMWPSHBNUBPJC-ZSOGYDGISA-N 1 2 338.371 0.217 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000983061654 754531857 /nfs/dbraw/zinc/53/18/57/754531857.db2.gz MUJNUUQPZZWORG-LZWOXQAQSA-N 1 2 346.431 0.816 20 30 ECEDLO C[C@H](CC(=O)N1CC[C@H](Nc2ccnc(C#N)n2)C1)n1cc[nH+]c1 ZINC001059081116 754533619 /nfs/dbraw/zinc/53/36/19/754533619.db2.gz UGTWPOLXIAUBPJ-OLZOCXBDSA-N 1 2 325.376 0.631 20 30 ECEDLO C[C@@H](CC(=O)N1CC[C@H](Nc2ccnc(C#N)n2)C1)n1cc[nH+]c1 ZINC001059081117 754533638 /nfs/dbraw/zinc/53/36/38/754533638.db2.gz UGTWPOLXIAUBPJ-STQMWFEESA-N 1 2 325.376 0.631 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001009126997 754558042 /nfs/dbraw/zinc/55/80/42/754558042.db2.gz WSOXHUMSTGAMML-ZIAGYGMSSA-N 1 2 344.415 0.729 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001009126997 754558045 /nfs/dbraw/zinc/55/80/45/754558045.db2.gz WSOXHUMSTGAMML-ZIAGYGMSSA-N 1 2 344.415 0.729 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)nc1 ZINC001009316643 754766828 /nfs/dbraw/zinc/76/68/28/754766828.db2.gz 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C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3ncc(C)cn3)C2)nn1 ZINC001028853557 755313650 /nfs/dbraw/zinc/31/36/50/755313650.db2.gz VPZJCKNGQHJNHJ-CQSZACIVSA-N 1 2 341.419 0.814 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3ncc(C)cn3)C2)nn1 ZINC001028853557 755313657 /nfs/dbraw/zinc/31/36/57/755313657.db2.gz VPZJCKNGQHJNHJ-CQSZACIVSA-N 1 2 341.419 0.814 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2nnnn2C)C1 ZINC001028855547 755318718 /nfs/dbraw/zinc/31/87/18/755318718.db2.gz GVZXCDIKNBTLJD-YCPHGPKFSA-N 1 2 348.451 0.520 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2nnnn2C)C1 ZINC001028855547 755318722 /nfs/dbraw/zinc/31/87/22/755318722.db2.gz GVZXCDIKNBTLJD-YCPHGPKFSA-N 1 2 348.451 0.520 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000983370742 755442955 /nfs/dbraw/zinc/44/29/55/755442955.db2.gz SNWQYBNZRNXUIQ-KMFMINBZSA-N 1 2 346.431 0.898 20 30 ECEDLO C#CCC[N@H+]1CC[C@H](CNC(=O)c2cn[nH]c2-c2cnn(C)c2)C1 ZINC001028920456 755479334 /nfs/dbraw/zinc/47/93/34/755479334.db2.gz XNGSNQIVTHBZRI-CYBMUJFWSA-N 1 2 326.404 0.885 20 30 ECEDLO C#CCC[N@@H+]1CC[C@H](CNC(=O)c2cn[nH]c2-c2cnn(C)c2)C1 ZINC001028920456 755479339 /nfs/dbraw/zinc/47/93/39/755479339.db2.gz XNGSNQIVTHBZRI-CYBMUJFWSA-N 1 2 326.404 0.885 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@]34C[C@H]3COC4)[C@@H](O)C2)s1 ZINC001083475982 755601427 /nfs/dbraw/zinc/60/14/27/755601427.db2.gz MNASFYRHLJPMAI-TXKWRHDYSA-N 1 2 333.413 0.318 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@]34C[C@H]3COC4)[C@@H](O)C2)s1 ZINC001083475982 755601431 /nfs/dbraw/zinc/60/14/31/755601431.db2.gz MNASFYRHLJPMAI-TXKWRHDYSA-N 1 2 333.413 0.318 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)OCCCO3)[C@@H](O)C1 ZINC001083525577 755913222 /nfs/dbraw/zinc/91/32/22/755913222.db2.gz ZQOYOCLMFNBZHG-CABCVRRESA-N 1 2 330.384 0.646 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)OCCCO3)[C@@H](O)C1 ZINC001083525577 755913224 /nfs/dbraw/zinc/91/32/24/755913224.db2.gz ZQOYOCLMFNBZHG-CABCVRRESA-N 1 2 330.384 0.646 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@@H]1O ZINC001083525823 755916424 /nfs/dbraw/zinc/91/64/24/755916424.db2.gz NRYBRAYFQZTHED-ZBFHGGJFSA-N 1 2 330.388 0.946 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@@H]1O ZINC001083525823 755916427 /nfs/dbraw/zinc/91/64/27/755916427.db2.gz NRYBRAYFQZTHED-ZBFHGGJFSA-N 1 2 330.388 0.946 20 30 ECEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4nc(=O)n(C)[nH]4)C[C@H]32)CC1 ZINC001076208757 756218927 /nfs/dbraw/zinc/21/89/27/756218927.db2.gz JRVPQOCGYBTPRW-LSDHHAIUSA-N 1 2 345.447 0.888 20 30 ECEDLO C=C1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4nc(=O)n(C)[nH]4)C[C@H]32)CC1 ZINC001076208757 756218930 /nfs/dbraw/zinc/21/89/30/756218930.db2.gz JRVPQOCGYBTPRW-LSDHHAIUSA-N 1 2 345.447 0.888 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCNC(=O)C3)C2)c1 ZINC001010544862 756225758 /nfs/dbraw/zinc/22/57/58/756225758.db2.gz MGWVHRRAMDJIHD-ZFWWWQNUSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCNC(=O)C3)C2)c1 ZINC001010544862 756225761 /nfs/dbraw/zinc/22/57/61/756225761.db2.gz MGWVHRRAMDJIHD-ZFWWWQNUSA-N 1 2 344.390 0.914 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001010693999 756407318 /nfs/dbraw/zinc/40/73/18/756407318.db2.gz ODBMWDRMXXPPAT-DLBZAZTESA-N 1 2 328.416 0.579 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001010693999 756407322 /nfs/dbraw/zinc/40/73/22/756407322.db2.gz ODBMWDRMXXPPAT-DLBZAZTESA-N 1 2 328.416 0.579 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001010739244 756467309 /nfs/dbraw/zinc/46/73/09/756467309.db2.gz FUWHETZBFKLLQQ-ZDUSSCGKSA-N 1 2 329.404 0.573 20 30 ECEDLO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001010758728 756488659 /nfs/dbraw/zinc/48/86/59/756488659.db2.gz KZRVKTHHCSEQPW-QGZVFWFLSA-N 1 2 326.400 0.727 20 30 ECEDLO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001010758728 756488662 /nfs/dbraw/zinc/48/86/62/756488662.db2.gz KZRVKTHHCSEQPW-QGZVFWFLSA-N 1 2 326.400 0.727 20 30 ECEDLO Cn1oc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1=O ZINC001010773679 756505063 /nfs/dbraw/zinc/50/50/63/756505063.db2.gz OHDVXFYGAXKXBI-CQSZACIVSA-N 1 2 326.356 0.854 20 30 ECEDLO Cn1oc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cc1=O ZINC001010773679 756505065 /nfs/dbraw/zinc/50/50/65/756505065.db2.gz OHDVXFYGAXKXBI-CQSZACIVSA-N 1 2 326.356 0.854 20 30 ECEDLO CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C#CC1CC1 ZINC001076432515 756507064 /nfs/dbraw/zinc/50/70/64/756507064.db2.gz UGAAHLRLFLVKRK-RDJZCZTQSA-N 1 2 349.475 0.912 20 30 ECEDLO CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C#CC1CC1 ZINC001076432515 756507067 /nfs/dbraw/zinc/50/70/67/756507067.db2.gz UGAAHLRLFLVKRK-RDJZCZTQSA-N 1 2 349.475 0.912 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](OC)C3CC3)C2)nn1 ZINC001098664065 756648387 /nfs/dbraw/zinc/64/83/87/756648387.db2.gz LTMLEMOUBCEVBQ-HOTGVXAUSA-N 1 2 331.420 0.589 20 30 ECEDLO C=CCn1cc(C(=O)NCC[C@H](C)NC(=O)Cc2c[nH+]cn2C)nn1 ZINC001076575775 756664608 /nfs/dbraw/zinc/66/46/08/756664608.db2.gz HNSBZWJRXZJHNY-LBPRGKRZSA-N 1 2 345.407 0.065 20 30 ECEDLO C[NH+](C)[C@H](C(=O)N1CCN(C(=O)C#CC2CC2)CC1)c1cccnc1 ZINC001011111873 756942817 /nfs/dbraw/zinc/94/28/17/756942817.db2.gz WXFBHYBBHJJCNB-SFHVURJKSA-N 1 2 340.427 0.769 20 30 ECEDLO O=C(C[C@@H]1CCCO1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001076758218 756977631 /nfs/dbraw/zinc/97/76/31/756977631.db2.gz PWJVLFVYJCIFMV-RCCFBDPRSA-N 1 2 328.412 0.769 20 30 ECEDLO O=C(C[C@@H]1CCCO1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001076758218 756977639 /nfs/dbraw/zinc/97/76/39/756977639.db2.gz PWJVLFVYJCIFMV-RCCFBDPRSA-N 1 2 328.412 0.769 20 30 ECEDLO Cn1nc(C2CC2)nc1C[N@H+]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 ZINC001048813351 757076624 /nfs/dbraw/zinc/07/66/24/757076624.db2.gz OEOBMTGKWHYICH-IYBDPMFKSA-N 1 2 339.443 0.996 20 30 ECEDLO Cn1nc(C2CC2)nc1C[N@@H+]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 ZINC001048813351 757076631 /nfs/dbraw/zinc/07/66/31/757076631.db2.gz OEOBMTGKWHYICH-IYBDPMFKSA-N 1 2 339.443 0.996 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)Cc3cncnc3)nn2)C1 ZINC001107163930 757196860 /nfs/dbraw/zinc/19/68/60/757196860.db2.gz IHECCRBHIMMCDD-UHFFFAOYSA-N 1 2 327.392 0.360 20 30 ECEDLO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001048866709 757229930 /nfs/dbraw/zinc/22/99/30/757229930.db2.gz WIQOXRLRRNIYDY-KKUMJFAQSA-N 1 2 334.420 0.831 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)Cc3nnc(C)o3)nn2)C1 ZINC001107167259 757232072 /nfs/dbraw/zinc/23/20/72/757232072.db2.gz NPGKITMPBGYLTM-UHFFFAOYSA-N 1 2 331.380 0.261 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC001014343606 762530602 /nfs/dbraw/zinc/53/06/02/762530602.db2.gz OBEXCKMMPFZVMZ-SUYBPPKGSA-N 1 2 329.404 0.762 20 30 ECEDLO Cc1ncsc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001076855676 757397613 /nfs/dbraw/zinc/39/76/13/757397613.db2.gz HKJUMPBOKRIJPI-CHWSQXEVSA-N 1 2 331.401 0.626 20 30 ECEDLO Cc1ncsc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001076855676 757397625 /nfs/dbraw/zinc/39/76/25/757397625.db2.gz HKJUMPBOKRIJPI-CHWSQXEVSA-N 1 2 331.401 0.626 20 30 ECEDLO C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001048916007 757398879 /nfs/dbraw/zinc/39/88/79/757398879.db2.gz DCMNYUQYJOROTO-KBMXLJTQSA-N 1 2 348.447 0.975 20 30 ECEDLO C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001048916007 757398886 /nfs/dbraw/zinc/39/88/86/757398886.db2.gz DCMNYUQYJOROTO-KBMXLJTQSA-N 1 2 348.447 0.975 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3COC(=O)C3)C2)s1 ZINC001076884083 757458266 /nfs/dbraw/zinc/45/82/66/757458266.db2.gz IVXPMSRSANHDHW-ZLKJLUDKSA-N 1 2 349.412 0.234 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3COC(=O)C3)C2)s1 ZINC001076884083 757458270 /nfs/dbraw/zinc/45/82/70/757458270.db2.gz IVXPMSRSANHDHW-ZLKJLUDKSA-N 1 2 349.412 0.234 20 30 ECEDLO C#CCC1(C(=O)N(C)[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2O)CCC1 ZINC001048949023 757492311 /nfs/dbraw/zinc/49/23/11/757492311.db2.gz CJBCANZALOPPIM-GJZGRUSLSA-N 1 2 344.415 0.107 20 30 ECEDLO C#CCC1(C(=O)N(C)[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2O)CCC1 ZINC001048954158 757503013 /nfs/dbraw/zinc/50/30/13/757503013.db2.gz XHICGTQGGNQEIY-KBPBESRZSA-N 1 2 344.415 0.176 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001049000708 757655199 /nfs/dbraw/zinc/65/51/99/757655199.db2.gz UXQDAWWEMKQZJI-BPUTZDHNSA-N 1 2 348.447 0.975 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001049000708 757655205 /nfs/dbraw/zinc/65/52/05/757655205.db2.gz UXQDAWWEMKQZJI-BPUTZDHNSA-N 1 2 348.447 0.975 20 30 ECEDLO Cn1nccc1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001076935929 757668083 /nfs/dbraw/zinc/66/80/83/757668083.db2.gz VZRJYYLXZXSHRH-IAGOWNOFSA-N 1 2 339.399 0.196 20 30 ECEDLO Cn1nccc1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC001076935929 757668093 /nfs/dbraw/zinc/66/80/93/757668093.db2.gz VZRJYYLXZXSHRH-IAGOWNOFSA-N 1 2 339.399 0.196 20 30 ECEDLO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001049023826 757724735 /nfs/dbraw/zinc/72/47/35/757724735.db2.gz KXFNEIHJJDJYCI-VDERGJSUSA-N 1 2 344.415 0.347 20 30 ECEDLO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001049023826 757724744 /nfs/dbraw/zinc/72/47/44/757724744.db2.gz KXFNEIHJJDJYCI-VDERGJSUSA-N 1 2 344.415 0.347 20 30 ECEDLO CCn1nncc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076963641 757785185 /nfs/dbraw/zinc/78/51/85/757785185.db2.gz XGAVHCNUKWQUTK-GDBMZVCRSA-N 1 2 340.387 0.145 20 30 ECEDLO CCn1nncc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076963641 757785190 /nfs/dbraw/zinc/78/51/90/757785190.db2.gz XGAVHCNUKWQUTK-GDBMZVCRSA-N 1 2 340.387 0.145 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1O ZINC001077016736 757943066 /nfs/dbraw/zinc/94/30/66/757943066.db2.gz ZTELWFPSRHAVGS-TUVASFSCSA-N 1 2 337.445 0.786 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1O ZINC001077016736 757943075 /nfs/dbraw/zinc/94/30/75/757943075.db2.gz ZTELWFPSRHAVGS-TUVASFSCSA-N 1 2 337.445 0.786 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCCC(=O)NC(C)C)nn2)C1 ZINC001107231323 757945733 /nfs/dbraw/zinc/94/57/33/757945733.db2.gz HHDPGBFMZPMKHJ-UHFFFAOYSA-N 1 2 348.451 0.632 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@H]1O ZINC001077016424 757971858 /nfs/dbraw/zinc/97/18/58/757971858.db2.gz NDLPUZQKQWKDEQ-FPCVCCKLSA-N 1 2 335.404 0.626 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@H]1O ZINC001077016424 757971862 /nfs/dbraw/zinc/97/18/62/757971862.db2.gz NDLPUZQKQWKDEQ-FPCVCCKLSA-N 1 2 335.404 0.626 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)nn2)C1 ZINC001107238268 758030745 /nfs/dbraw/zinc/03/07/45/758030745.db2.gz ORTSONUGXLSKOD-LRDDRELGSA-N 1 2 348.451 0.488 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)OCCOCC)nn2)C1 ZINC001107238503 758032086 /nfs/dbraw/zinc/03/20/86/758032086.db2.gz AJQBKVDLKQQLPJ-CYBMUJFWSA-N 1 2 337.424 0.379 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](Cc2ccn(C)c(=O)c2)C1 ZINC001031088179 767850913 /nfs/dbraw/zinc/85/09/13/767850913.db2.gz MXBMEKQQFGPWBS-RDJZCZTQSA-N 1 2 331.416 0.667 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001011623734 758157782 /nfs/dbraw/zinc/15/77/82/758157782.db2.gz JGYDWVRNIXRBQS-GWCFXTLKSA-N 1 2 326.360 0.571 20 30 ECEDLO C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001077103900 758188416 /nfs/dbraw/zinc/18/84/16/758188416.db2.gz IQBGLEFSDPQYRX-UONOGXRCSA-N 1 2 334.420 0.659 20 30 ECEDLO C[C@@H](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)NC(=O)CSCC#N ZINC001077116489 758228807 /nfs/dbraw/zinc/22/88/07/758228807.db2.gz QPQVFELXJWXFJF-QWHCGFSZSA-N 1 2 349.460 0.713 20 30 ECEDLO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001049188580 758251931 /nfs/dbraw/zinc/25/19/31/758251931.db2.gz KNXPLXAOHCMJHH-KBPBESRZSA-N 1 2 334.420 0.349 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NCc2cnsn2)CC1 ZINC000996686445 758500342 /nfs/dbraw/zinc/50/03/42/758500342.db2.gz UAVHBRIIUJLCDV-HNNXBMFYSA-N 1 2 333.461 0.716 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NCc2cnsn2)CC1 ZINC000996686445 758500349 /nfs/dbraw/zinc/50/03/49/758500349.db2.gz UAVHBRIIUJLCDV-HNNXBMFYSA-N 1 2 333.461 0.716 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000996686445 758500352 /nfs/dbraw/zinc/50/03/52/758500352.db2.gz UAVHBRIIUJLCDV-HNNXBMFYSA-N 1 2 333.461 0.716 20 30 ECEDLO C=CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@@H]1O ZINC001049361237 758567559 /nfs/dbraw/zinc/56/75/59/758567559.db2.gz UGEWSPDRLONMRZ-BPUTZDHNSA-N 1 2 348.447 0.975 20 30 ECEDLO C=CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001049361237 758567562 /nfs/dbraw/zinc/56/75/62/758567562.db2.gz UGEWSPDRLONMRZ-BPUTZDHNSA-N 1 2 348.447 0.975 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001011829869 758687509 /nfs/dbraw/zinc/68/75/09/758687509.db2.gz HSLVFPMZTMIUJI-SMDDNHRTSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001011829869 758687513 /nfs/dbraw/zinc/68/75/13/758687513.db2.gz HSLVFPMZTMIUJI-SMDDNHRTSA-N 1 2 340.387 0.961 20 30 ECEDLO C#CCCCC(=O)N1CC[C@H](n2cc(C[NH2+][C@H](CC)C(N)=O)nn2)C1 ZINC001098669305 758952372 /nfs/dbraw/zinc/95/23/72/758952372.db2.gz MRMGLMKNUXZVRJ-LSDHHAIUSA-N 1 2 346.435 0.209 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H]2C)cn1 ZINC001011937446 759000691 /nfs/dbraw/zinc/00/06/91/759000691.db2.gz IULXDEYVEDPYTD-IUODEOHRSA-N 1 2 337.383 0.748 20 30 ECEDLO C=CCCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001049630802 759018731 /nfs/dbraw/zinc/01/87/31/759018731.db2.gz BMMUCGDPHANQRE-GJZGRUSLSA-N 1 2 346.431 0.729 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnc3ccccc3c2O)[C@@H](O)C1 ZINC001083597124 759217691 /nfs/dbraw/zinc/21/76/91/759217691.db2.gz DMKWSAUOKTVICS-CVEARBPZSA-N 1 2 325.368 0.326 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3ccccc3c2O)[C@@H](O)C1 ZINC001083597124 759217701 /nfs/dbraw/zinc/21/77/01/759217701.db2.gz DMKWSAUOKTVICS-CVEARBPZSA-N 1 2 325.368 0.326 20 30 ECEDLO Cn1cncc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083610638 759287841 /nfs/dbraw/zinc/28/78/41/759287841.db2.gz FDPJFRZJDJOZNY-ZBFHGGJFSA-N 1 2 325.372 0.267 20 30 ECEDLO Cn1cncc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083610638 759287849 /nfs/dbraw/zinc/28/78/49/759287849.db2.gz FDPJFRZJDJOZNY-ZBFHGGJFSA-N 1 2 325.372 0.267 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C)cn1 ZINC001012099208 759403571 /nfs/dbraw/zinc/40/35/71/759403571.db2.gz CZKYXCJYUHCIQH-LRDDRELGSA-N 1 2 337.383 0.748 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001012101154 759411002 /nfs/dbraw/zinc/41/10/02/759411002.db2.gz IYFZGFOSEXWAQL-GWCFXTLKSA-N 1 2 326.360 0.571 20 30 ECEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)c3ncc[nH]3)CC2)C1 ZINC001105707018 759558644 /nfs/dbraw/zinc/55/86/44/759558644.db2.gz JFKFFNNQOXIBII-UHFFFAOYSA-N 1 2 334.420 0.918 20 30 ECEDLO CCCN(CCNC(=O)Cc1[nH]c[nH+]c1C)c1cncc(C#N)n1 ZINC001101164674 759856349 /nfs/dbraw/zinc/85/63/49/759856349.db2.gz WAINARFLEFUYHJ-UHFFFAOYSA-N 1 2 327.392 0.955 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3ccn(C)n3)C2)nn1 ZINC001098672672 759923507 /nfs/dbraw/zinc/92/35/07/759923507.db2.gz ILJGFBLFXKLUOJ-MRXNPFEDSA-N 1 2 341.419 0.141 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H](C)N(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001012490953 760077965 /nfs/dbraw/zinc/07/79/65/760077965.db2.gz XELZNDCOGABMBH-MFKMUULPSA-N 1 2 340.387 0.880 20 30 ECEDLO N#Cc1ccc(C(=O)NCC2=CCN(C(=O)Cn3cc[nH+]c3)CC2)[nH]1 ZINC001017390356 767922395 /nfs/dbraw/zinc/92/23/95/767922395.db2.gz WWVNHBJRODLMNY-UHFFFAOYSA-N 1 2 338.371 0.672 20 30 ECEDLO N#Cc1cc(C(=O)NCC2=CCN(C(=O)Cn3cc[nH+]c3)CC2)c[nH]1 ZINC001017398860 767932235 /nfs/dbraw/zinc/93/22/35/767932235.db2.gz ZOLUBAZOOMEILE-UHFFFAOYSA-N 1 2 338.371 0.672 20 30 ECEDLO C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001050493194 760360324 /nfs/dbraw/zinc/36/03/24/760360324.db2.gz XUQHUTOJNTXXJN-VXGBXAGGSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000945479207 760363157 /nfs/dbraw/zinc/36/31/57/760363157.db2.gz ZYYARJNVLPIPGR-FZMZJTMJSA-N 1 2 340.387 0.819 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)nn1 ZINC001012617184 760439688 /nfs/dbraw/zinc/43/96/88/760439688.db2.gz RHLJTZJWXVKBBN-NEPJUHHUSA-N 1 2 343.391 0.149 20 30 ECEDLO CCn1nncc1C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001007138994 767954125 /nfs/dbraw/zinc/95/41/25/767954125.db2.gz GDHJHNQLNHXBOM-ZDUSSCGKSA-N 1 2 327.392 0.892 20 30 ECEDLO CCn1nncc1C[N@H+]1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001007138994 767954128 /nfs/dbraw/zinc/95/41/28/767954128.db2.gz GDHJHNQLNHXBOM-ZDUSSCGKSA-N 1 2 327.392 0.892 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nc(Cc2ccccc2)no1 ZINC001127052149 760483911 /nfs/dbraw/zinc/48/39/11/760483911.db2.gz SCCOZWPQSQHCRU-AWEZNQCLSA-N 1 2 342.399 0.905 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2NC/C=C\CNC(=O)c1ccc(C#N)[nH]1 ZINC001107127516 760507308 /nfs/dbraw/zinc/50/73/08/760507308.db2.gz KUMLEAZPEBODKH-IHWYPQMZSA-N 1 2 336.359 0.961 20 30 ECEDLO C=CCCC(=O)N(C)[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1O ZINC001048539964 760683628 /nfs/dbraw/zinc/68/36/28/760683628.db2.gz OGLKZSQEQNMBMT-GJZGRUSLSA-N 1 2 334.420 0.660 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001050735795 760755637 /nfs/dbraw/zinc/75/56/37/760755637.db2.gz NHNJTYSOTDJXRA-HZPDHXFCSA-N 1 2 346.431 0.666 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H](C)Nc2[nH+]cnc3c2cnn3C)c1 ZINC001098257534 761051976 /nfs/dbraw/zinc/05/19/76/761051976.db2.gz OLZMEOVIKUFLKC-NSHDSACASA-N 1 2 335.371 0.970 20 30 ECEDLO CO[C@@H](C)c1noc(C[N@H+]2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)n1 ZINC001048727992 761055651 /nfs/dbraw/zinc/05/56/51/761055651.db2.gz QRDYQHIPTHYHQR-XQHKEYJVSA-N 1 2 333.392 0.827 20 30 ECEDLO CO[C@@H](C)c1noc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3C2)n1 ZINC001048727992 761055660 /nfs/dbraw/zinc/05/56/60/761055660.db2.gz QRDYQHIPTHYHQR-XQHKEYJVSA-N 1 2 333.392 0.827 20 30 ECEDLO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@@H]1O ZINC001048754502 761118145 /nfs/dbraw/zinc/11/81/45/761118145.db2.gz SVRNYSTVASPXIH-BPUTZDHNSA-N 1 2 346.431 0.422 20 30 ECEDLO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001048754502 761118150 /nfs/dbraw/zinc/11/81/50/761118150.db2.gz SVRNYSTVASPXIH-BPUTZDHNSA-N 1 2 346.431 0.422 20 30 ECEDLO C[C@@H](C#N)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C2 ZINC001054486208 768011508 /nfs/dbraw/zinc/01/15/08/768011508.db2.gz KHMAGLQZJKKECT-FQUUOJAGSA-N 1 2 329.404 0.998 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCN1c1ncccn1 ZINC001050964570 761234771 /nfs/dbraw/zinc/23/47/71/761234771.db2.gz HGOGEVYORZILGC-JKSUJKDBSA-N 1 2 345.447 0.839 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCN1c1ncccn1 ZINC001050964570 761234776 /nfs/dbraw/zinc/23/47/76/761234776.db2.gz HGOGEVYORZILGC-JKSUJKDBSA-N 1 2 345.447 0.839 20 30 ECEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)c3cncn3C)CC2)C1 ZINC001105714121 761247392 /nfs/dbraw/zinc/24/73/92/761247392.db2.gz KAKICIIULXIGNT-UHFFFAOYSA-N 1 2 348.447 0.928 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCCC[C@H]1CNc1ccnc(C#N)n1 ZINC001060259359 761266368 /nfs/dbraw/zinc/26/63/68/761266368.db2.gz FHESYNORIPNENL-ZDUSSCGKSA-N 1 2 339.403 0.539 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(OCC(N)=O)cc1 ZINC001051013804 761336341 /nfs/dbraw/zinc/33/63/41/761336341.db2.gz ZQQIPNILYMPHQK-OAHLLOKOSA-N 1 2 347.415 0.557 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(OCC(N)=O)cc1 ZINC001051013804 761336352 /nfs/dbraw/zinc/33/63/52/761336352.db2.gz ZQQIPNILYMPHQK-OAHLLOKOSA-N 1 2 347.415 0.557 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)CCn1cc[nH+]c1 ZINC001013404898 761372219 /nfs/dbraw/zinc/37/22/19/761372219.db2.gz IAFGUJNEOCRTLR-WFASDCNBSA-N 1 2 340.387 0.892 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001051043414 761382078 /nfs/dbraw/zinc/38/20/78/761382078.db2.gz KSAYDKAMDRHWCX-VVLHAWIVSA-N 1 2 338.448 0.821 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001051043414 761382087 /nfs/dbraw/zinc/38/20/87/761382087.db2.gz KSAYDKAMDRHWCX-VVLHAWIVSA-N 1 2 338.448 0.821 20 30 ECEDLO CC#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001051046846 761389683 /nfs/dbraw/zinc/38/96/83/761389683.db2.gz VNVGNRYIMZOROP-ROUUACIJSA-N 1 2 349.475 0.328 20 30 ECEDLO CC#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001051046846 761389692 /nfs/dbraw/zinc/38/96/92/761389692.db2.gz VNVGNRYIMZOROP-ROUUACIJSA-N 1 2 349.475 0.328 20 30 ECEDLO CCNC(=O)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001212154124 761439282 /nfs/dbraw/zinc/43/92/82/761439282.db2.gz CZGUZFRNYPOXNO-IAGOWNOFSA-N 1 2 343.427 0.380 20 30 ECEDLO CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1OC ZINC001212154124 761439284 /nfs/dbraw/zinc/43/92/84/761439284.db2.gz CZGUZFRNYPOXNO-IAGOWNOFSA-N 1 2 343.427 0.380 20 30 ECEDLO CC#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001051075046 761441836 /nfs/dbraw/zinc/44/18/36/761441836.db2.gz GWYYFOKRGDSACG-ROUUACIJSA-N 1 2 349.475 0.470 20 30 ECEDLO CC#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001051075046 761441837 /nfs/dbraw/zinc/44/18/37/761441837.db2.gz GWYYFOKRGDSACG-ROUUACIJSA-N 1 2 349.475 0.470 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccnc2c1ncn2C ZINC001051101901 761493765 /nfs/dbraw/zinc/49/37/65/761493765.db2.gz GAQITDXGMPJSQD-ZDUSSCGKSA-N 1 2 329.404 0.975 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccnc2c1ncn2C ZINC001051101901 761493772 /nfs/dbraw/zinc/49/37/72/761493772.db2.gz GAQITDXGMPJSQD-ZDUSSCGKSA-N 1 2 329.404 0.975 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1c(C)c[nH]c1CC(N)=O ZINC001051126641 761527499 /nfs/dbraw/zinc/52/74/99/761527499.db2.gz HNAKRFYJLZSRKS-CYBMUJFWSA-N 1 2 334.420 0.358 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1c(C)c[nH]c1CC(N)=O ZINC001051126641 761527503 /nfs/dbraw/zinc/52/75/03/761527503.db2.gz HNAKRFYJLZSRKS-CYBMUJFWSA-N 1 2 334.420 0.358 20 30 ECEDLO C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#N)[nH]1 ZINC001017484185 768051881 /nfs/dbraw/zinc/05/18/81/768051881.db2.gz ZNGPVBBNGIPXAS-FPMFFAJLSA-N 1 2 329.404 0.652 20 30 ECEDLO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#N)[nH]1 ZINC001017484185 768051887 /nfs/dbraw/zinc/05/18/87/768051887.db2.gz ZNGPVBBNGIPXAS-FPMFFAJLSA-N 1 2 329.404 0.652 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(=O)n(CCC)n1 ZINC001051238443 761738219 /nfs/dbraw/zinc/73/82/19/761738219.db2.gz NFWAHDBSYJXXRK-CQSZACIVSA-N 1 2 334.420 0.660 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(=O)n(CCC)n1 ZINC001051238443 761738224 /nfs/dbraw/zinc/73/82/24/761738224.db2.gz NFWAHDBSYJXXRK-CQSZACIVSA-N 1 2 334.420 0.660 20 30 ECEDLO C[C@@H](NC(=O)CSCC#N)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001051286685 761827657 /nfs/dbraw/zinc/82/76/57/761827657.db2.gz COZGGTNCRPYGGS-ZIAGYGMSSA-N 1 2 349.460 0.883 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 ZINC001105927342 762843071 /nfs/dbraw/zinc/84/30/71/762843071.db2.gz GAAJDKYFCJPCIJ-HNNXBMFYSA-N 1 2 328.376 0.209 20 30 ECEDLO N#Cc1sc(NC[C@@H](O)CNC(=O)Cc2[nH]cc[nH+]2)nc1Cl ZINC001105938262 762941488 /nfs/dbraw/zinc/94/14/88/762941488.db2.gz WLDSGQABTZITEG-ZETCQYMHSA-N 1 2 340.796 0.523 20 30 ECEDLO Cc1ccc(C#N)c(N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](O)C2)n1 ZINC001051790829 762974595 /nfs/dbraw/zinc/97/45/95/762974595.db2.gz YLPOZWGYYURQMI-LSDHHAIUSA-N 1 2 340.387 0.283 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2nc(C)no2)C1 ZINC001051834625 763077143 /nfs/dbraw/zinc/07/71/43/763077143.db2.gz SICDCHATJONELN-MJBXVCDLSA-N 1 2 336.392 0.286 20 30 ECEDLO C[C@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001060765463 763155541 /nfs/dbraw/zinc/15/55/41/763155541.db2.gz HPUDIVYHYZWCRD-MGPQQGTHSA-N 1 2 331.420 0.913 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001014813034 763218052 /nfs/dbraw/zinc/21/80/52/763218052.db2.gz XQIDKCMVOANMIR-JKSUJKDBSA-N 1 2 326.400 0.775 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001014813034 763218060 /nfs/dbraw/zinc/21/80/60/763218060.db2.gz XQIDKCMVOANMIR-JKSUJKDBSA-N 1 2 326.400 0.775 20 30 ECEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2COCCN2CC(F)F)C1 ZINC001031876168 763227107 /nfs/dbraw/zinc/22/71/07/763227107.db2.gz MYPZNIDOMOZOBE-GFCCVEGCSA-N 1 2 337.798 0.753 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106305031 768118031 /nfs/dbraw/zinc/11/80/31/768118031.db2.gz UMJZHCQGHYOKIM-ZBEGNZNMSA-N 1 2 336.440 0.880 20 30 ECEDLO N#Cc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)Cc2ncn[nH]2)CCO1 ZINC001051895907 763253213 /nfs/dbraw/zinc/25/32/13/763253213.db2.gz CDLXPNXEJXMTSJ-OAHLLOKOSA-N 1 2 340.387 0.236 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3cnsn3)C2)nc1 ZINC001051908773 763303645 /nfs/dbraw/zinc/30/36/45/763303645.db2.gz KVLNQLSEUSKSPI-AWEZNQCLSA-N 1 2 343.412 0.545 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001014883766 763366364 /nfs/dbraw/zinc/36/63/64/763366364.db2.gz XWUABVSDNJDZSW-AAEUAGOBSA-N 1 2 340.387 0.961 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC4(CCC4)C3)C2)C1=O ZINC001077536103 768129316 /nfs/dbraw/zinc/12/93/16/768129316.db2.gz AANPHLJJURPWPP-BZUAXINKSA-N 1 2 347.459 0.515 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3CC4(CCC4)C3)C2)C1=O ZINC001077536103 768129319 /nfs/dbraw/zinc/12/93/19/768129319.db2.gz AANPHLJJURPWPP-BZUAXINKSA-N 1 2 347.459 0.515 20 30 ECEDLO COCC(=O)N1CC[C@@H](N2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC001051957114 763447921 /nfs/dbraw/zinc/44/79/21/763447921.db2.gz ZVLXOVUOFOUAOY-GOSISDBHSA-N 1 2 342.443 0.923 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cncnc3C)C2)CC1 ZINC001051989032 763524946 /nfs/dbraw/zinc/52/49/46/763524946.db2.gz BYINEKYJHMPZTN-MRXNPFEDSA-N 1 2 327.432 0.640 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3COCCO3)C2)CC1 ZINC001051988648 763525339 /nfs/dbraw/zinc/52/53/39/763525339.db2.gz XOFJFRWQFPXKJH-HUUCEWRRSA-N 1 2 343.855 0.373 20 30 ECEDLO CCc1nc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)no1 ZINC001051997590 763547508 /nfs/dbraw/zinc/54/75/08/763547508.db2.gz DWXLNLYIRAFAGH-ZIAGYGMSSA-N 1 2 346.435 0.510 20 30 ECEDLO CCn1cc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)nn1 ZINC001051997916 763548647 /nfs/dbraw/zinc/54/86/47/763548647.db2.gz KQRANVNZWXVMQE-HOCLYGCPSA-N 1 2 345.451 0.176 20 30 ECEDLO CCn1ccc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)n1 ZINC001051998483 763551783 /nfs/dbraw/zinc/55/17/83/763551783.db2.gz UXBJGHVSOVJHDR-DOTOQJQBSA-N 1 2 344.463 0.781 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C3CCC(O)CC3)C2)CC1 ZINC001052020621 763602991 /nfs/dbraw/zinc/60/29/91/763602991.db2.gz IRUQDKXRQVQDNO-ADKAHSJRSA-N 1 2 333.476 0.779 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc4[nH]cnc4c3)C2)CC1 ZINC001052032313 763633487 /nfs/dbraw/zinc/63/34/87/763633487.db2.gz FLKUEYBVSPJBIQ-HNNXBMFYSA-N 1 2 340.431 0.976 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3ccn(CC)n3)C2)CC1 ZINC001052031774 763633737 /nfs/dbraw/zinc/63/37/37/763633737.db2.gz WNVABCQJLXPGLQ-QGZVFWFLSA-N 1 2 329.448 0.297 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc4n(n3)CCC4)C2)CC1 ZINC001052035256 763640727 /nfs/dbraw/zinc/64/07/27/763640727.db2.gz FUIQFCLWBGHDPP-OAHLLOKOSA-N 1 2 328.420 0.185 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn4c3CCC4)C2)CC1 ZINC001052035470 763642347 /nfs/dbraw/zinc/64/23/47/763642347.db2.gz JZKPJSUUKSOJKE-OAHLLOKOSA-N 1 2 327.432 0.295 20 30 ECEDLO CC(C)Cn1nccc1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052035723 763643769 /nfs/dbraw/zinc/64/37/69/763643769.db2.gz NXKNOEUHIVUENK-MRXNPFEDSA-N 1 2 344.463 0.895 20 30 ECEDLO Cn1ncc(C2CC2)c1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052036003 763646327 /nfs/dbraw/zinc/64/63/27/763646327.db2.gz WNNKLHGSWXJUFK-OAHLLOKOSA-N 1 2 342.447 0.653 20 30 ECEDLO CCOc1ccc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)cn1 ZINC001052036066 763646671 /nfs/dbraw/zinc/64/66/71/763646671.db2.gz YTLJTRFSJBXIGY-INIZCTEOSA-N 1 2 343.431 0.836 20 30 ECEDLO COc1cnc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)c(F)c1 ZINC001052036635 763649485 /nfs/dbraw/zinc/64/94/85/763649485.db2.gz RBMYHKMTKHRSKZ-CYBMUJFWSA-N 1 2 347.394 0.585 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3CCC(=O)NC3)C2)CC1 ZINC001052036852 763650681 /nfs/dbraw/zinc/65/06/81/763650681.db2.gz WHSGEJAPQDVUJA-IRXDYDNUSA-N 1 2 348.491 0.697 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@@H]3CCC(=O)NC3)C2)CC1 ZINC001052036932 763652151 /nfs/dbraw/zinc/65/21/51/763652151.db2.gz YKKISOFULYTPDC-IRXDYDNUSA-N 1 2 346.475 0.145 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc4c([nH]3)CCOC4)C2)CC1 ZINC001052036925 763652265 /nfs/dbraw/zinc/65/22/65/763652265.db2.gz YDMALSYBKSEERC-MRXNPFEDSA-N 1 2 342.443 0.553 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)C2CC2)C[C@H]1OC ZINC001212185116 763662826 /nfs/dbraw/zinc/66/28/26/763662826.db2.gz NUFMKTZQEUCLNX-NUEKZKHPSA-N 1 2 335.448 0.520 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N[C@@H](C)C2CC2)C[C@H]1OC ZINC001212185116 763662832 /nfs/dbraw/zinc/66/28/32/763662832.db2.gz NUFMKTZQEUCLNX-NUEKZKHPSA-N 1 2 335.448 0.520 20 30 ECEDLO CCOc1cc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)[nH]n1 ZINC001052041131 763664989 /nfs/dbraw/zinc/66/49/89/763664989.db2.gz SRNFEXZQYNJRHT-CYBMUJFWSA-N 1 2 332.408 0.164 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn(C)nc3CC)C2)CC1 ZINC001052041444 763666956 /nfs/dbraw/zinc/66/69/56/763666956.db2.gz IGLJULDZRBSBST-MRXNPFEDSA-N 1 2 343.475 0.838 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn(C)nc3COC)C2)CC1 ZINC001052044067 763677095 /nfs/dbraw/zinc/67/70/95/763677095.db2.gz BYZYSCUJVGYOPA-OAHLLOKOSA-N 1 2 345.447 0.032 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C2)CC1 ZINC001052048203 763694938 /nfs/dbraw/zinc/69/49/38/763694938.db2.gz NWPRXFSSISNNTQ-ZDUSSCGKSA-N 1 2 328.420 0.254 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)CCC)C[C@H]1OC ZINC001212185354 763697592 /nfs/dbraw/zinc/69/75/92/763697592.db2.gz SWJMMZAAMSVDGA-ARFHVFGLSA-N 1 2 337.464 0.910 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N[C@@H](C)CCC)C[C@H]1OC ZINC001212185354 763697598 /nfs/dbraw/zinc/69/75/98/763697598.db2.gz SWJMMZAAMSVDGA-ARFHVFGLSA-N 1 2 337.464 0.910 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(OCC)no3)C2)CC1 ZINC001052048946 763700503 /nfs/dbraw/zinc/70/05/03/763700503.db2.gz HHDAGZIVWKHKJD-CQSZACIVSA-N 1 2 332.404 0.539 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ncc(OC)cn3)C2)CC1 ZINC001052049404 763701018 /nfs/dbraw/zinc/70/10/18/763701018.db2.gz LBWPIGWXHFGNOE-CQSZACIVSA-N 1 2 331.420 0.503 20 30 ECEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@H]2CCn3cc[nH+]c3C2)nc1 ZINC001106015471 763716589 /nfs/dbraw/zinc/71/65/89/763716589.db2.gz JGLTVGXTYZHGMV-UONOGXRCSA-N 1 2 340.387 0.301 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc4nccn4c3)C2)CC1 ZINC001052052645 763717492 /nfs/dbraw/zinc/71/74/92/763717492.db2.gz SMDPQDAHXRJTKO-INIZCTEOSA-N 1 2 340.431 0.747 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)C2)CC1 ZINC001052052876 763718365 /nfs/dbraw/zinc/71/83/65/763718365.db2.gz ZDKPYMBADZXQLH-GBESFXJTSA-N 1 2 345.487 0.901 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@]3(C)CNC(=O)C3)C2)CC1 ZINC001052057724 763732025 /nfs/dbraw/zinc/73/20/25/763732025.db2.gz RWNWOBMNKXASCS-YJBOKZPZSA-N 1 2 334.464 0.307 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)c(F)c1 ZINC001015041988 763734392 /nfs/dbraw/zinc/73/43/92/763734392.db2.gz HONDWOSCLFBDKO-UKRRQHHQSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCC(=O)NC3)C2)c(F)c1 ZINC001015041988 763734395 /nfs/dbraw/zinc/73/43/95/763734395.db2.gz HONDWOSCLFBDKO-UKRRQHHQSA-N 1 2 344.390 0.914 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN([C@@H]3CCN(C)C3=O)CC2)C1 ZINC001052061196 763743020 /nfs/dbraw/zinc/74/30/20/763743020.db2.gz SYNQNVVPLTXHCH-JKSUJKDBSA-N 1 2 348.491 0.648 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H](N2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)C1 ZINC001052061196 763743024 /nfs/dbraw/zinc/74/30/24/763743024.db2.gz SYNQNVVPLTXHCH-JKSUJKDBSA-N 1 2 348.491 0.648 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@]3(C)CCC(=O)NC3)C2)CC1 ZINC001052069210 763764931 /nfs/dbraw/zinc/76/49/31/763764931.db2.gz UAOLIOPSFVWDCY-LPHOPBHVSA-N 1 2 346.475 0.145 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccc(=O)n3C)C2)CC1 ZINC001052081176 763797223 /nfs/dbraw/zinc/79/72/23/763797223.db2.gz KFQXSBZXXCLSIQ-INIZCTEOSA-N 1 2 342.443 0.241 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cn3ccc(C)n3)C2)CC1 ZINC001052085250 763810976 /nfs/dbraw/zinc/81/09/76/763810976.db2.gz BKQSRXGKRKMQKL-QGZVFWFLSA-N 1 2 329.448 0.433 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3nccn4ccnc34)C2)CC1 ZINC001052085703 763812411 /nfs/dbraw/zinc/81/24/11/763812411.db2.gz JUKAQQSQHZVYBI-CQSZACIVSA-N 1 2 339.403 0.085 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(C4CC4)n[nH]3)C2)CC1 ZINC001052087173 763816602 /nfs/dbraw/zinc/81/66/02/763816602.db2.gz OBHSNHJYBNODNU-AWEZNQCLSA-N 1 2 328.420 0.643 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)Cn3nccc3C)C2)CC1 ZINC001052090057 763825500 /nfs/dbraw/zinc/82/55/00/763825500.db2.gz WSWODHKJPNRXIW-KRWDZBQOSA-N 1 2 329.448 0.433 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc4cccnn34)C2)CC1 ZINC001052091361 763832003 /nfs/dbraw/zinc/83/20/03/763832003.db2.gz AXVDMOFDXVSJAO-CQSZACIVSA-N 1 2 339.403 0.085 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccn(CC)n3)C2)CC1 ZINC001052092736 763834212 /nfs/dbraw/zinc/83/42/12/763834212.db2.gz HQKNCCDIVWNMNZ-MRXNPFEDSA-N 1 2 329.448 0.758 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cncc(OC)n3)C2)CC1 ZINC001052093994 763838308 /nfs/dbraw/zinc/83/83/08/763838308.db2.gz VEDCFNGGEFQWSN-OAHLLOKOSA-N 1 2 343.431 0.341 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)COC3CCOCC3)C2)CC1 ZINC001052094510 763839431 /nfs/dbraw/zinc/83/94/31/763839431.db2.gz VCYGBTFZNUFVQJ-MRXNPFEDSA-N 1 2 335.448 0.034 20 30 ECEDLO CCn1nc(C)c(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)c1C ZINC001052099286 763857079 /nfs/dbraw/zinc/85/70/79/763857079.db2.gz XVZPPQUCGIUGBX-INIZCTEOSA-N 1 2 344.463 0.876 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)COc3cccnc3)C2)CC1 ZINC001052099281 763857340 /nfs/dbraw/zinc/85/73/40/763857340.db2.gz XRUBPTVWJQMZJK-QGZVFWFLSA-N 1 2 342.443 0.702 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CCC[C@H]3CC)C2)CC1 ZINC001052103133 763867709 /nfs/dbraw/zinc/86/77/09/763867709.db2.gz MXEPXFLGGHKKAO-IAGOWNOFSA-N 1 2 346.475 0.239 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C(=O)N3CCC[C@H]3CC)C2)CC1 ZINC001052103133 763867716 /nfs/dbraw/zinc/86/77/16/763867716.db2.gz MXEPXFLGGHKKAO-IAGOWNOFSA-N 1 2 346.475 0.239 20 30 ECEDLO CCc1nc(C)c(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)o1 ZINC001052105169 763875152 /nfs/dbraw/zinc/87/51/52/763875152.db2.gz GNTZSDNWAKFIER-CQSZACIVSA-N 1 2 331.420 0.901 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3ccco3)C2)C1=O ZINC001047284455 763881495 /nfs/dbraw/zinc/88/14/95/763881495.db2.gz HQSQGLFKKJOPTL-IHRRRGAJSA-N 1 2 333.388 0.184 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3ccco3)C2)C1=O ZINC001047284455 763881508 /nfs/dbraw/zinc/88/15/08/763881508.db2.gz HQSQGLFKKJOPTL-IHRRRGAJSA-N 1 2 333.388 0.184 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(N(C)C)nn3)C2)CC1 ZINC001052109186 763895249 /nfs/dbraw/zinc/89/52/49/763895249.db2.gz XXFQTEPAWSKIOC-OAHLLOKOSA-N 1 2 344.463 0.561 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)COc3ccccc3)C2)CC1 ZINC001052112779 763907885 /nfs/dbraw/zinc/90/78/85/763907885.db2.gz DDBZMZLIUBFRMM-KRWDZBQOSA-N 1 2 327.428 0.917 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ncc4n3CCCC4)C2)CC1 ZINC001052119167 763935097 /nfs/dbraw/zinc/93/50/97/763935097.db2.gz LMSLGSUAQKGSES-QGZVFWFLSA-N 1 2 341.459 0.685 20 30 ECEDLO C=CCN1CC[C@H](N2CC(NC(=O)[C@H]3CCn4cc[nH+]c4C3)C2)C1=O ZINC001030555320 763936910 /nfs/dbraw/zinc/93/69/10/763936910.db2.gz UYFLMJYXMUJHLL-ZFWWWQNUSA-N 1 2 343.431 0.033 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3nn(CC)nc3C)C2)CC1 ZINC001052125339 763953176 /nfs/dbraw/zinc/95/31/76/763953176.db2.gz PJCMJALQUTXQRQ-HNNXBMFYSA-N 1 2 330.436 0.072 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3nn(CC)nc3C)C2)CC1 ZINC001052125339 763953182 /nfs/dbraw/zinc/95/31/82/763953182.db2.gz PJCMJALQUTXQRQ-HNNXBMFYSA-N 1 2 330.436 0.072 20 30 ECEDLO CN(C(=O)c1ccon1)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047311281 763954246 /nfs/dbraw/zinc/95/42/46/763954246.db2.gz UEKDWVAPOJNVSS-KBPBESRZSA-N 1 2 332.385 0.925 20 30 ECEDLO CN(C(=O)c1ccon1)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047311281 763954250 /nfs/dbraw/zinc/95/42/50/763954250.db2.gz UEKDWVAPOJNVSS-KBPBESRZSA-N 1 2 332.385 0.925 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)C3CCOCC3)C2)CC1 ZINC001052127336 763956307 /nfs/dbraw/zinc/95/63/07/763956307.db2.gz VUPHXCKCBUVBNL-AEFFLSMTSA-N 1 2 333.476 0.901 20 30 ECEDLO CN(C(=O)[C@H]1CCOC1)[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC001047322546 763992802 /nfs/dbraw/zinc/99/28/02/763992802.db2.gz QDWSHKYWHNPWAY-XIRDDKMYSA-N 1 2 347.390 0.737 20 30 ECEDLO CN(C(=O)[C@H]1CCOC1)[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1O ZINC001047322546 763992809 /nfs/dbraw/zinc/99/28/09/763992809.db2.gz QDWSHKYWHNPWAY-XIRDDKMYSA-N 1 2 347.390 0.737 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2cnc(OC)nc2C)C1 ZINC001031987420 763995096 /nfs/dbraw/zinc/99/50/96/763995096.db2.gz NACQLLABXDOSQM-CVEARBPZSA-N 1 2 346.431 0.933 20 30 ECEDLO CN(CCOCCNc1nccnc1C#N)C(=O)Cn1cc[nH+]c1 ZINC001127328911 768204545 /nfs/dbraw/zinc/20/45/45/768204545.db2.gz PJZUDGACFNKWIS-UHFFFAOYSA-N 1 2 329.364 0.132 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncn(-c3ccccc3)n2)C1 ZINC001047422179 764295949 /nfs/dbraw/zinc/29/59/49/764295949.db2.gz GUIFPNIUWCPUFC-GJZGRUSLSA-N 1 2 325.372 0.018 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncn(-c3ccccc3)n2)C1 ZINC001047422179 764295955 /nfs/dbraw/zinc/29/59/55/764295955.db2.gz GUIFPNIUWCPUFC-GJZGRUSLSA-N 1 2 325.372 0.018 20 30 ECEDLO Cc1cc(C#N)nc(NCCOCCN(C)C(=O)Cn2cc[nH+]c2)n1 ZINC001127328771 768202980 /nfs/dbraw/zinc/20/29/80/768202980.db2.gz LAZLSUZEFWTWEQ-UHFFFAOYSA-N 1 2 343.391 0.440 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-c3cn[nH]c3)cn2)C1 ZINC001047434888 764335678 /nfs/dbraw/zinc/33/56/78/764335678.db2.gz AOGJCFIYFLXXBH-HOTGVXAUSA-N 1 2 325.372 0.222 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-c3cn[nH]c3)cn2)C1 ZINC001047434888 764335681 /nfs/dbraw/zinc/33/56/81/764335681.db2.gz AOGJCFIYFLXXBH-HOTGVXAUSA-N 1 2 325.372 0.222 20 30 ECEDLO C=C1CCC(C(=O)N(C)[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@@H]2O)CC1 ZINC001047512894 764556760 /nfs/dbraw/zinc/55/67/60/764556760.db2.gz WGFISYBKLPTKFS-HOTGVXAUSA-N 1 2 335.448 0.515 20 30 ECEDLO C=C1CCC(C(=O)N(C)[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@H]2O)CC1 ZINC001047512894 764556766 /nfs/dbraw/zinc/55/67/66/764556766.db2.gz WGFISYBKLPTKFS-HOTGVXAUSA-N 1 2 335.448 0.515 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3cccn3)n2)C1 ZINC001047524238 764587112 /nfs/dbraw/zinc/58/71/12/764587112.db2.gz FVBAEWOLOXAKTR-GJZGRUSLSA-N 1 2 325.372 0.018 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(-n3cccn3)n2)C1 ZINC001047524238 764587118 /nfs/dbraw/zinc/58/71/18/764587118.db2.gz FVBAEWOLOXAKTR-GJZGRUSLSA-N 1 2 325.372 0.018 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(CCC(C)C)nn2)C1 ZINC001047524968 764589431 /nfs/dbraw/zinc/58/94/31/764589431.db2.gz WWFMZQBBOLWBAP-HOTGVXAUSA-N 1 2 333.436 0.465 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn(CCC(C)C)nn2)C1 ZINC001047524968 764589443 /nfs/dbraw/zinc/58/94/43/764589443.db2.gz WWFMZQBBOLWBAP-HOTGVXAUSA-N 1 2 333.436 0.465 20 30 ECEDLO C#CCCCC(=O)N1C[C@H](C)[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001052478373 764589970 /nfs/dbraw/zinc/58/99/70/764589970.db2.gz PJCPOABUMQOKOP-LSDHHAIUSA-N 1 2 330.432 0.977 20 30 ECEDLO C=CCn1cc(C(=O)N(C)[C@H]2C[N@H+](Cc3conc3C)C[C@@H]2O)nn1 ZINC001047554278 764680695 /nfs/dbraw/zinc/68/06/95/764680695.db2.gz RHRVINVPWAMAES-GJZGRUSLSA-N 1 2 346.391 0.078 20 30 ECEDLO C=CCn1cc(C(=O)N(C)[C@H]2C[N@@H+](Cc3conc3C)C[C@@H]2O)nn1 ZINC001047554278 764680703 /nfs/dbraw/zinc/68/07/03/764680703.db2.gz RHRVINVPWAMAES-GJZGRUSLSA-N 1 2 346.391 0.078 20 30 ECEDLO C=CCN1CC[C@H](N2CC(NC(=O)c3cccc4[nH+]ccn43)C2)C1=O ZINC001030671491 764696918 /nfs/dbraw/zinc/69/69/18/764696918.db2.gz WDCBZYBCTMQLMW-HNNXBMFYSA-N 1 2 339.399 0.535 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001015473177 764719889 /nfs/dbraw/zinc/71/98/89/764719889.db2.gz IHLNARRYVYRONI-JSGCOSHPSA-N 1 2 340.387 0.798 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)c[nH]1 ZINC001015474178 764724036 /nfs/dbraw/zinc/72/40/36/764724036.db2.gz NEBDLTAXNMDDOT-TZMCWYRMSA-N 1 2 340.387 0.798 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2conc2CC)C[C@H]1OC ZINC001212193739 764754520 /nfs/dbraw/zinc/75/45/20/764754520.db2.gz KCKTYQXJFWPMBK-INMHGKMJSA-N 1 2 337.420 0.880 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2conc2CC)C[C@H]1OC ZINC001212193739 764754524 /nfs/dbraw/zinc/75/45/24/764754524.db2.gz KCKTYQXJFWPMBK-INMHGKMJSA-N 1 2 337.420 0.880 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3c(C)nnn3CC)C2)nc1 ZINC001032134965 764783253 /nfs/dbraw/zinc/78/32/53/764783253.db2.gz DQGZEEBTMKPLNG-UHFFFAOYSA-N 1 2 338.415 0.845 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(C(F)(F)F)c2)C1 ZINC001047585967 764784196 /nfs/dbraw/zinc/78/41/96/764784196.db2.gz BJJFCUJKICWYHS-RYUDHWBXSA-N 1 2 327.306 0.851 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(C(F)(F)F)c2)C1 ZINC001047585967 764784202 /nfs/dbraw/zinc/78/42/02/764784202.db2.gz BJJFCUJKICWYHS-RYUDHWBXSA-N 1 2 327.306 0.851 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)c(F)c1 ZINC001015625547 765096921 /nfs/dbraw/zinc/09/69/21/765096921.db2.gz BPKGDVJTTOJFSI-ZDUSSCGKSA-N 1 2 341.346 0.785 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)c(F)c1 ZINC001015625547 765096930 /nfs/dbraw/zinc/09/69/30/765096930.db2.gz BPKGDVJTTOJFSI-ZDUSSCGKSA-N 1 2 341.346 0.785 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ncnn3C)CC2)cn1 ZINC001052877745 765283366 /nfs/dbraw/zinc/28/33/66/765283366.db2.gz USRYCOXWRUUNQE-MRXNPFEDSA-N 1 2 338.415 0.976 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ncnn3C)CC2)cn1 ZINC001052877745 765283370 /nfs/dbraw/zinc/28/33/70/765283370.db2.gz USRYCOXWRUUNQE-MRXNPFEDSA-N 1 2 338.415 0.976 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(OC)ns3)C2)nn1 ZINC001015811456 765371119 /nfs/dbraw/zinc/37/11/19/765371119.db2.gz GSXKHKKTOAPXFU-LLVKDONJSA-N 1 2 348.432 0.934 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(OC)ns3)C2)nn1 ZINC001015811456 765371125 /nfs/dbraw/zinc/37/11/25/765371125.db2.gz GSXKHKKTOAPXFU-LLVKDONJSA-N 1 2 348.432 0.934 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(OC)ccn3)C2)nn1 ZINC001015812511 765373036 /nfs/dbraw/zinc/37/30/36/765373036.db2.gz FBMSZZQNDJQLNK-ZDUSSCGKSA-N 1 2 342.403 0.872 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cc(OC)ccn3)C2)nn1 ZINC001015812511 765373043 /nfs/dbraw/zinc/37/30/43/765373043.db2.gz FBMSZZQNDJQLNK-ZDUSSCGKSA-N 1 2 342.403 0.872 20 30 ECEDLO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3nnc[nH]3)C2)cc1C#N ZINC001015871113 765472469 /nfs/dbraw/zinc/47/24/69/765472469.db2.gz HOBREMBDISIHTN-CYBMUJFWSA-N 1 2 326.360 0.689 20 30 ECEDLO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3nnc[nH]3)C2)cc1C#N ZINC001015871113 765472470 /nfs/dbraw/zinc/47/24/70/765472470.db2.gz HOBREMBDISIHTN-CYBMUJFWSA-N 1 2 326.360 0.689 20 30 ECEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1nc2ncccn2n1 ZINC001015879282 765487967 /nfs/dbraw/zinc/48/79/67/765487967.db2.gz JKMDQGMOYPFEDR-MRXNPFEDSA-N 1 2 346.394 0.980 20 30 ECEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1nc2ncccn2n1 ZINC001015879282 765487971 /nfs/dbraw/zinc/48/79/71/765487971.db2.gz JKMDQGMOYPFEDR-MRXNPFEDSA-N 1 2 346.394 0.980 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ncccc3F)C2)C1=O ZINC001015901300 765516327 /nfs/dbraw/zinc/51/63/27/765516327.db2.gz SFJWONAFOHPTLZ-GXTWGEPZSA-N 1 2 332.379 0.812 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ncccc3F)C2)C1=O ZINC001015901300 765516329 /nfs/dbraw/zinc/51/63/29/765516329.db2.gz SFJWONAFOHPTLZ-GXTWGEPZSA-N 1 2 332.379 0.812 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015967968 765636040 /nfs/dbraw/zinc/63/60/40/765636040.db2.gz OJGIFHNKYWHJDJ-CQSZACIVSA-N 1 2 340.387 0.618 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015967968 765636045 /nfs/dbraw/zinc/63/60/45/765636045.db2.gz OJGIFHNKYWHJDJ-CQSZACIVSA-N 1 2 340.387 0.618 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)cn1 ZINC001016026374 765730161 /nfs/dbraw/zinc/73/01/61/765730161.db2.gz GHXHNBQLJLSTGE-INIZCTEOSA-N 1 2 326.400 0.489 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCCC3)C2)cn1 ZINC001016026374 765730164 /nfs/dbraw/zinc/73/01/64/765730164.db2.gz GHXHNBQLJLSTGE-INIZCTEOSA-N 1 2 326.400 0.489 20 30 ECEDLO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1nnn(C(C)(C)C)n1)CCO2 ZINC001053263295 765864042 /nfs/dbraw/zinc/86/40/42/765864042.db2.gz KBAWTHGYAKSYLL-UHFFFAOYSA-N 1 2 348.451 0.921 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCn3ccnc3C1)CCO2 ZINC001053315040 765955386 /nfs/dbraw/zinc/95/53/86/765955386.db2.gz AEVCJQIRSSMPNK-OAHLLOKOSA-N 1 2 330.432 0.935 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCc3cncn3C1)CCO2 ZINC001053316367 765957904 /nfs/dbraw/zinc/95/79/04/765957904.db2.gz PYDXVKPOTKKMQB-HNNXBMFYSA-N 1 2 330.432 0.935 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cn1nnc3c1CCCC3)CCO2 ZINC001053431125 766121819 /nfs/dbraw/zinc/12/18/19/766121819.db2.gz HTQODPRIACNKBS-UHFFFAOYSA-N 1 2 345.447 0.646 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COCCN1CC(F)F ZINC001017770175 768357295 /nfs/dbraw/zinc/35/72/95/768357295.db2.gz ZEOPLTKYSCVUSL-HZSPNIEDSA-N 1 2 327.375 0.261 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COCCN1CC(F)F ZINC001017770175 768357302 /nfs/dbraw/zinc/35/73/02/768357302.db2.gz ZEOPLTKYSCVUSL-HZSPNIEDSA-N 1 2 327.375 0.261 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCCN(C)C1=O)CCO2 ZINC001053506596 766254430 /nfs/dbraw/zinc/25/44/30/766254430.db2.gz LJFNVCXHRRCNKE-HNNXBMFYSA-N 1 2 335.448 0.734 20 30 ECEDLO Cn1cnc(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001031648378 766336540 /nfs/dbraw/zinc/33/65/40/766336540.db2.gz OJQFIKWLFONOES-UHFFFAOYSA-N 1 2 328.351 0.688 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cnc(C)o3)C[C@@H]2O)cc1 ZINC001083691484 766365398 /nfs/dbraw/zinc/36/53/98/766365398.db2.gz QPHIXXYPGAAVSV-SJORKVTESA-N 1 2 325.368 0.939 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cnc(C)o3)C[C@@H]2O)cc1 ZINC001083691484 766365405 /nfs/dbraw/zinc/36/54/05/766365405.db2.gz QPHIXXYPGAAVSV-SJORKVTESA-N 1 2 325.368 0.939 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CC(=O)N(CC)C1)O2 ZINC001053606834 766422270 /nfs/dbraw/zinc/42/22/70/766422270.db2.gz ORSSJCRAKXEMAL-LSDHHAIUSA-N 1 2 335.448 0.781 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCc3nccn3C1)O2 ZINC001053618907 766447251 /nfs/dbraw/zinc/44/72/51/766447251.db2.gz FZSGOSLCLNGASH-LSDHHAIUSA-N 1 2 330.432 0.981 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1nccn3ccnc13)O2 ZINC001053660099 766530999 /nfs/dbraw/zinc/53/09/99/766530999.db2.gz GGGMYQVOGLIKLC-CYBMUJFWSA-N 1 2 327.388 0.879 20 30 ECEDLO C#CCN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)O2 ZINC001053664927 766537837 /nfs/dbraw/zinc/53/78/37/766537837.db2.gz JCPXOWNLSHTPNZ-RBSFLKMASA-N 1 2 328.416 0.506 20 30 ECEDLO C[C@@H](CC(=O)NC[C@@H](O)CNc1ccncc1C#N)n1cc[nH+]c1 ZINC001106131698 766590211 /nfs/dbraw/zinc/59/02/11/766590211.db2.gz HXJAYPDZMUXGNK-JSGCOSHPSA-N 1 2 328.376 0.112 20 30 ECEDLO C[C@@H](CC(=O)NC[C@H](O)CNc1cnc(C#N)cn1)n1cc[nH+]c1 ZINC001106131615 766591303 /nfs/dbraw/zinc/59/13/03/766591303.db2.gz GGKCKRGFBRCDSE-WCQYABFASA-N 1 2 329.364 0.085 20 30 ECEDLO C#CCOc1ncccc1C(=O)NC[C@@H]1CCC2(C[NH+](CCO)C2)O1 ZINC001053691380 766599430 /nfs/dbraw/zinc/59/94/30/766599430.db2.gz WAELHXJTZRNIMT-AWEZNQCLSA-N 1 2 345.399 0.049 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2oc(CC)nc2C)C[C@H]1OC ZINC001212258120 766601254 /nfs/dbraw/zinc/60/12/54/766601254.db2.gz NKYIQWVIPSVTTO-SQWLQELKSA-N 1 2 349.431 0.899 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2oc(CC)nc2C)C[C@H]1OC ZINC001212258120 766601258 /nfs/dbraw/zinc/60/12/58/766601258.db2.gz NKYIQWVIPSVTTO-SQWLQELKSA-N 1 2 349.431 0.899 20 30 ECEDLO Cc1nc(NC[C@@H](O)CNC(=O)C[C@@H](C)n2cc[nH+]c2)ccc1C#N ZINC001106132188 766610401 /nfs/dbraw/zinc/61/04/01/766610401.db2.gz VHILGLXSFLJNSF-IUODEOHRSA-N 1 2 342.403 0.999 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c[nH]c(C(N)=O)c1)O2 ZINC001053698473 766613218 /nfs/dbraw/zinc/61/32/18/766613218.db2.gz MGABTOGFAUQUKN-CYBMUJFWSA-N 1 2 332.404 0.653 20 30 ECEDLO C=CCN1CC[C@H](N2CC(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1=O ZINC001030936275 766616281 /nfs/dbraw/zinc/61/62/81/766616281.db2.gz PTNYTHUBISJHSW-ZFWWWQNUSA-N 1 2 343.431 0.417 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCc3nncn3C1)O2 ZINC001053701539 766623534 /nfs/dbraw/zinc/62/35/34/766623534.db2.gz XKNIMRCEJQVZSD-ZIAGYGMSSA-N 1 2 331.420 0.376 20 30 ECEDLO Cc1ccnc(C[N@H+]2CC[C@@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)n1 ZINC001046012560 766640390 /nfs/dbraw/zinc/64/03/90/766640390.db2.gz PMCMBYXWAYFJFV-GDBMZVCRSA-N 1 2 342.447 0.663 20 30 ECEDLO Cc1ccnc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)n1 ZINC001046012560 766640394 /nfs/dbraw/zinc/64/03/94/766640394.db2.gz PMCMBYXWAYFJFV-GDBMZVCRSA-N 1 2 342.447 0.663 20 30 ECEDLO CCc1nc(CN2CC[C@H]([NH+]3CCN(C(=O)[C@H](C)C#N)CC3)C2)no1 ZINC001046012923 766641116 /nfs/dbraw/zinc/64/11/16/766641116.db2.gz RQDADJDFDHBBQG-KGLIPLIRSA-N 1 2 346.435 0.510 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ns2)C[C@H]1OC ZINC001212262731 766694669 /nfs/dbraw/zinc/69/46/69/766694669.db2.gz XMVZORYPMWVRNW-HUUCEWRRSA-N 1 2 337.445 0.807 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)ns2)C[C@H]1OC ZINC001212262731 766694674 /nfs/dbraw/zinc/69/46/74/766694674.db2.gz XMVZORYPMWVRNW-HUUCEWRRSA-N 1 2 337.445 0.807 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cnc4[nH]cnc4c3)CC2)C1 ZINC001046032459 766706144 /nfs/dbraw/zinc/70/61/44/766706144.db2.gz DAOYWLHHRFHDDE-AWEZNQCLSA-N 1 2 339.403 0.314 20 30 ECEDLO Cn1nc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)cc1C1CC1 ZINC001046033987 766711304 /nfs/dbraw/zinc/71/13/04/766711304.db2.gz NCRIDVCZSLZGAR-HNNXBMFYSA-N 1 2 342.447 0.653 20 30 ECEDLO COc1cc(CCC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)on1 ZINC001046034531 766714457 /nfs/dbraw/zinc/71/44/57/766714457.db2.gz UFCVCYJNWGOCQR-CQSZACIVSA-N 1 2 347.419 0.358 20 30 ECEDLO Cc1cc(OCC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)no1 ZINC001046037741 766735736 /nfs/dbraw/zinc/73/57/36/766735736.db2.gz XPELHYDFPVYSJA-CQSZACIVSA-N 1 2 333.392 0.104 20 30 ECEDLO C[NH+](C)Cc1cc(C(=O)N2CCN([C@H]3CCN(CC#N)C3)CC2)no1 ZINC001046041982 766754052 /nfs/dbraw/zinc/75/40/52/766754052.db2.gz VXDZSYJUXFXWOW-AWEZNQCLSA-N 1 2 346.435 0.092 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cccc4ncnn43)CC2)C1 ZINC001046042559 766756743 /nfs/dbraw/zinc/75/67/43/766756743.db2.gz YBWYQOSOWCICCI-CQSZACIVSA-N 1 2 339.403 0.085 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(Cc3nncn3C)C2)CC1 ZINC001046051432 766791639 /nfs/dbraw/zinc/79/16/39/766791639.db2.gz HCFHEIPXGNJBAB-OAHLLOKOSA-N 1 2 346.479 0.746 20 30 ECEDLO CCCn1cc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)cn1 ZINC001046069318 766868453 /nfs/dbraw/zinc/86/84/53/766868453.db2.gz DRDJBDLJAYSXLN-MRXNPFEDSA-N 1 2 330.436 0.649 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(OC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC000994810652 766873641 /nfs/dbraw/zinc/87/36/41/766873641.db2.gz AOWPZDNCLCEFHR-LBPRGKRZSA-N 1 2 345.403 0.330 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCc3c[nH]nc31)CO2 ZINC001053800323 766881117 /nfs/dbraw/zinc/88/11/17/766881117.db2.gz MZTXZNRCGGXQMK-LSDHHAIUSA-N 1 2 328.416 0.812 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1cccc(C)c1=O)CO2 ZINC001053801160 766884111 /nfs/dbraw/zinc/88/41/11/766884111.db2.gz GGDFGCGZRCXVGF-HNNXBMFYSA-N 1 2 329.400 0.140 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)CC[C@H]3CCCOC3)CC2)C1 ZINC001046074733 766890830 /nfs/dbraw/zinc/89/08/30/766890830.db2.gz FZZHGAMEULJZSH-IAGOWNOFSA-N 1 2 334.464 0.935 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)COc3ccsc3)CC2)C1 ZINC001046075603 766897586 /nfs/dbraw/zinc/89/75/86/766897586.db2.gz BWRGUNPPOBTZSG-CQSZACIVSA-N 1 2 334.445 0.869 20 30 ECEDLO C[C@@H](Oc1ccccn1)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046076767 766905435 /nfs/dbraw/zinc/90/54/35/766905435.db2.gz PSULXHKQXBPYGJ-CVEARBPZSA-N 1 2 343.431 0.591 20 30 ECEDLO Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)n1 ZINC001106135696 766909966 /nfs/dbraw/zinc/90/99/66/766909966.db2.gz ZGBVZEMRLNNXRS-IINYFYTJSA-N 1 2 343.391 0.148 20 30 ECEDLO Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)n1 ZINC001106135696 766909973 /nfs/dbraw/zinc/90/99/73/766909973.db2.gz ZGBVZEMRLNNXRS-IINYFYTJSA-N 1 2 343.391 0.148 20 30 ECEDLO Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)n1 ZINC001106135707 766910396 /nfs/dbraw/zinc/91/03/96/766910396.db2.gz ZMFGPCRFFBVHLE-NHYWBVRUSA-N 1 2 342.403 0.753 20 30 ECEDLO Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)n1 ZINC001106135707 766910402 /nfs/dbraw/zinc/91/04/02/766910402.db2.gz ZMFGPCRFFBVHLE-NHYWBVRUSA-N 1 2 342.403 0.753 20 30 ECEDLO C=CCOCC(=O)NC[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001060754708 766930850 /nfs/dbraw/zinc/93/08/50/766930850.db2.gz CMMNOXVEEJNLCO-SHTZXODSSA-N 1 2 334.420 0.877 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)CO2 ZINC001053822390 766940838 /nfs/dbraw/zinc/94/08/38/766940838.db2.gz MGXHFDVPCPMABE-CABCVRRESA-N 1 2 347.459 0.616 20 30 ECEDLO CC[C@@H](F)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(=O)NCC#N ZINC001099176609 766955833 /nfs/dbraw/zinc/95/58/33/766955833.db2.gz QSOZZCLRUUNIGC-CHWSQXEVSA-N 1 2 326.416 0.981 20 30 ECEDLO CC[C@@H](F)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC(=O)NCC#N ZINC001099176609 766955839 /nfs/dbraw/zinc/95/58/39/766955839.db2.gz QSOZZCLRUUNIGC-CHWSQXEVSA-N 1 2 326.416 0.981 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnn3ccncc13)CO2 ZINC001053831296 766966231 /nfs/dbraw/zinc/96/62/31/766966231.db2.gz ZCBGDXOFLZXODE-ZDUSSCGKSA-N 1 2 325.372 0.326 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cnns3)C2)C1=O ZINC001046164848 767000743 /nfs/dbraw/zinc/00/07/43/767000743.db2.gz JPXXOJYIHXJWPW-XHDPSFHLSA-N 1 2 335.433 0.519 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(NC(=O)c3cnns3)C2)C1=O ZINC001046164848 767000756 /nfs/dbraw/zinc/00/07/56/767000756.db2.gz JPXXOJYIHXJWPW-XHDPSFHLSA-N 1 2 335.433 0.519 20 30 ECEDLO C=CCOc1ccc(C(=O)N[C@H]2COC3(C[NH+](CCO)C3)C2)cc1 ZINC001053851682 767020124 /nfs/dbraw/zinc/02/01/24/767020124.db2.gz XYLHADAIFKWSCI-OAHLLOKOSA-N 1 2 332.400 0.817 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccnc3c1CC(=O)N3)CO2 ZINC001053857669 767043016 /nfs/dbraw/zinc/04/30/16/767043016.db2.gz KOSPPLJRBNLHRN-LBPRGKRZSA-N 1 2 342.399 0.725 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc3ncnn31)CO2 ZINC001053859965 767052495 /nfs/dbraw/zinc/05/24/95/767052495.db2.gz SDFXRWSDXYKGQS-ZDUSSCGKSA-N 1 2 327.388 0.879 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@@H](C)N(CC)c1[nH+]cnc2c1cnn2C ZINC001089692288 767064807 /nfs/dbraw/zinc/06/48/07/767064807.db2.gz RVRXBSJEKZKPBV-CHWSQXEVSA-N 1 2 344.419 0.733 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1cc(CC)nn1C)CO2 ZINC001053877294 767119386 /nfs/dbraw/zinc/11/93/86/767119386.db2.gz WGDULFVQOUHMSH-HNNXBMFYSA-N 1 2 330.432 0.508 20 30 ECEDLO C[C@]1(NC(=O)C2CS(=O)(=O)C2)CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001046341131 767156723 /nfs/dbraw/zinc/15/67/23/767156723.db2.gz DOKHEOGPQWZKIG-KRWDZBQOSA-N 1 2 347.440 0.683 20 30 ECEDLO C[C@]1(NC(=O)C2CS(=O)(=O)C2)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001046341131 767156725 /nfs/dbraw/zinc/15/67/25/767156725.db2.gz DOKHEOGPQWZKIG-KRWDZBQOSA-N 1 2 347.440 0.683 20 30 ECEDLO C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001046376541 767180213 /nfs/dbraw/zinc/18/02/13/767180213.db2.gz UHLSIOIAPKOFGA-ZDUSSCGKSA-N 1 2 346.431 0.875 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@]3(F)CCOC3)C2)cc1 ZINC001077568783 767310690 /nfs/dbraw/zinc/31/06/90/767310690.db2.gz PCJSJIHWJXZFRG-INMHGKMJSA-N 1 2 333.363 0.348 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@]3(F)CCOC3)C2)cc1 ZINC001077568783 767310695 /nfs/dbraw/zinc/31/06/95/767310695.db2.gz PCJSJIHWJXZFRG-INMHGKMJSA-N 1 2 333.363 0.348 20 30 ECEDLO N#Cc1cnc(NC[C@H](O)CNC(=O)CCc2c[nH]c[nH+]2)c(F)c1 ZINC001106150124 767364573 /nfs/dbraw/zinc/36/45/73/767364573.db2.gz LQQJNESJIGYPCI-GFCCVEGCSA-N 1 2 332.339 0.337 20 30 ECEDLO N#Cc1cnc(NC[C@H](O)CNC(=O)CCc2c[nH+]c[nH]2)c(F)c1 ZINC001106150124 767364580 /nfs/dbraw/zinc/36/45/80/767364580.db2.gz LQQJNESJIGYPCI-GFCCVEGCSA-N 1 2 332.339 0.337 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cn1nnc3c1CCCC3)CO2 ZINC001053924402 767371968 /nfs/dbraw/zinc/37/19/68/767371968.db2.gz RWIXPMKZIAEBLA-AWEZNQCLSA-N 1 2 345.447 0.693 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C)C1)CO2 ZINC001053948919 767430753 /nfs/dbraw/zinc/43/07/53/767430753.db2.gz URCIEELQOIXJEU-HUUCEWRRSA-N 1 2 335.448 0.781 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C(=O)N1CCC[C@@H](C)C1)CO2 ZINC001053949165 767430869 /nfs/dbraw/zinc/43/08/69/767430869.db2.gz ZQMUJEOKXRJXLR-CABCVRRESA-N 1 2 333.432 0.228 20 30 ECEDLO Cc1cccn2cc(CC(=O)N[C@H]3COC4(CN(CC#N)C4)C3)[nH+]c12 ZINC001053956616 767447983 /nfs/dbraw/zinc/44/79/83/767447983.db2.gz KVSVXLMWNJSXPA-OAHLLOKOSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc3c(cnn3C)c1)CO2 ZINC001053967198 767481924 /nfs/dbraw/zinc/48/19/24/767481924.db2.gz TZSLGWZUCOPNBX-OAHLLOKOSA-N 1 2 339.399 0.565 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn(CC3CC3)nn1)CO2 ZINC001053969191 767489997 /nfs/dbraw/zinc/48/99/97/767489997.db2.gz HRSRYPOGVSLMEM-CQSZACIVSA-N 1 2 329.404 0.285 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@]1(C)CCN(C(C)=O)C1)CO2 ZINC001053977218 767510111 /nfs/dbraw/zinc/51/01/11/767510111.db2.gz PHCKNEUJTPDNTL-WBVHZDCISA-N 1 2 335.448 0.781 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2COC3(C[NH+]([C@H](C)COC)C3)C2)cn1 ZINC001053984766 767532808 /nfs/dbraw/zinc/53/28/08/767532808.db2.gz DWOODAHKUNRTHA-CJNGLKHVSA-N 1 2 329.400 0.671 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2COC3(C[NH+]([C@H](C)COC)C3)C2)nc1 ZINC001053985659 767535176 /nfs/dbraw/zinc/53/51/76/767535176.db2.gz VZBHXVJOKQGDHG-HIFRSBDPSA-N 1 2 329.400 0.671 20 30 ECEDLO C[C@@H](C[C@H](C)Nc1ccnc(C#N)n1)NC(=O)CCc1[nH]cc[nH+]1 ZINC001089306694 767542841 /nfs/dbraw/zinc/54/28/41/767542841.db2.gz QXSPWOMSZOGQLR-RYUDHWBXSA-N 1 2 327.392 0.821 20 30 ECEDLO CCCn1nnnc1C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)C#N)C1 ZINC001017073309 767551011 /nfs/dbraw/zinc/55/10/11/767551011.db2.gz YJBAPIVYMIBBML-KGLIPLIRSA-N 1 2 333.440 0.913 20 30 ECEDLO CCCn1nnnc1C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)C#N)C1 ZINC001017073309 767551016 /nfs/dbraw/zinc/55/10/16/767551016.db2.gz YJBAPIVYMIBBML-KGLIPLIRSA-N 1 2 333.440 0.913 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnn(CCOC)c1)CO2 ZINC001053996376 767554535 /nfs/dbraw/zinc/55/45/35/767554535.db2.gz MJVNSSAKSJFTJS-HNNXBMFYSA-N 1 2 334.420 0.679 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc(C(=O)NC)n1)CO2 ZINC001053997389 767557145 /nfs/dbraw/zinc/55/71/45/767557145.db2.gz NGVFRTLIPVXSPM-CYBMUJFWSA-N 1 2 344.415 0.590 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(=O)n(CCC)n1)CO2 ZINC001054006133 767576037 /nfs/dbraw/zinc/57/60/37/767576037.db2.gz SZFFOEFVWXMOQF-AWEZNQCLSA-N 1 2 346.431 0.803 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1nc(C3CC3)nn1C)CO2 ZINC001054014105 767599443 /nfs/dbraw/zinc/59/94/43/767599443.db2.gz IBSGOIHZLDYDTE-CQSZACIVSA-N 1 2 345.447 0.771 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cc1nc(C3CC3)nn1C)CO2 ZINC001054014104 767599874 /nfs/dbraw/zinc/59/98/74/767599874.db2.gz IBSGOIHZLDYDTE-AWEZNQCLSA-N 1 2 345.447 0.771 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001054036089 767634860 /nfs/dbraw/zinc/63/48/60/767634860.db2.gz BTDMVUBETXPJSW-WBVHZDCISA-N 1 2 325.412 0.689 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001054036089 767634863 /nfs/dbraw/zinc/63/48/63/767634863.db2.gz BTDMVUBETXPJSW-WBVHZDCISA-N 1 2 325.412 0.689 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(=O)n(C)cn1 ZINC001054043001 767641386 /nfs/dbraw/zinc/64/13/86/767641386.db2.gz MYQBZIGRHIJPQO-INIZCTEOSA-N 1 2 336.395 0.570 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cc(=O)n(C)cn1 ZINC001054043001 767641393 /nfs/dbraw/zinc/64/13/93/767641393.db2.gz MYQBZIGRHIJPQO-INIZCTEOSA-N 1 2 336.395 0.570 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1OCCO[C@H]1C ZINC001054044131 767642583 /nfs/dbraw/zinc/64/25/83/767642583.db2.gz RXPMRDWFQRMAHV-WBAXXEDZSA-N 1 2 328.412 0.967 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1OCCO[C@H]1C ZINC001054044131 767642587 /nfs/dbraw/zinc/64/25/87/767642587.db2.gz RXPMRDWFQRMAHV-WBAXXEDZSA-N 1 2 328.412 0.967 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ccc(=O)[nH]c3)C2)nn1 ZINC001098780589 767801876 /nfs/dbraw/zinc/80/18/76/767801876.db2.gz XJZXHPODNHYEJT-AWEZNQCLSA-N 1 2 326.360 0.189 20 30 ECEDLO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCNC2=O)c1 ZINC001017791917 768374315 /nfs/dbraw/zinc/37/43/15/768374315.db2.gz GHGVWULDKILHGA-IXDOHACOSA-N 1 2 338.411 0.870 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCNC2=O)c1 ZINC001017791917 768374322 /nfs/dbraw/zinc/37/43/22/768374322.db2.gz GHGVWULDKILHGA-IXDOHACOSA-N 1 2 338.411 0.870 20 30 ECEDLO CN(CCOCCNc1nccnc1C#N)C(=O)Cc1[nH]cc[nH+]1 ZINC001127356939 768463216 /nfs/dbraw/zinc/46/32/16/768463216.db2.gz IAUNAGNDVZOURW-UHFFFAOYSA-N 1 2 329.364 0.201 20 30 ECEDLO Cc1cc(C#N)nc(NCCOCCN(C)C(=O)Cc2[nH]cc[nH+]2)n1 ZINC001127356918 768463272 /nfs/dbraw/zinc/46/32/72/768463272.db2.gz HJTQSMKPOXMWOQ-UHFFFAOYSA-N 1 2 343.391 0.509 20 30 ECEDLO C[C@H](CC(=O)N[C@@H](C)CCNc1ccnc(C#N)n1)n1cc[nH+]c1 ZINC001106591900 768473614 /nfs/dbraw/zinc/47/36/14/768473614.db2.gz AHMCCYOQULQSCQ-QWHCGFSZSA-N 1 2 327.392 0.925 20 30 ECEDLO N#Cc1nccc(N[C@@H]2CC[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)n1 ZINC001060536025 768580229 /nfs/dbraw/zinc/58/02/29/768580229.db2.gz YSYCCROQKWMNHW-BFHYXJOUSA-N 1 2 337.387 0.316 20 30 ECEDLO C[C@H]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001018090846 768709994 /nfs/dbraw/zinc/70/99/94/768709994.db2.gz BTXJDGJQHGIZNU-AAEUAGOBSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@@H]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001018090849 768710127 /nfs/dbraw/zinc/71/01/27/768710127.db2.gz BTXJDGJQHGIZNU-YPMHNXCESA-N 1 2 340.387 0.961 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001055340437 768797499 /nfs/dbraw/zinc/79/74/99/768797499.db2.gz QQEHOZXHDJGRBC-KFWWJZLASA-N 1 2 344.415 0.297 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001055340437 768797505 /nfs/dbraw/zinc/79/75/05/768797505.db2.gz QQEHOZXHDJGRBC-KFWWJZLASA-N 1 2 344.415 0.297 20 30 ECEDLO C[C@@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CN1C(=O)C#CC1CC1 ZINC001018276736 769018983 /nfs/dbraw/zinc/01/89/83/769018983.db2.gz PREFGZSTWHPLSR-HIFRSBDPSA-N 1 2 328.416 0.872 20 30 ECEDLO CC#CCCCC(=O)N(CCO)CCNc1[nH+]cnc2c1cnn2C ZINC001111536179 769101140 /nfs/dbraw/zinc/10/11/40/769101140.db2.gz FMXPUYWDZUOPPC-UHFFFAOYSA-N 1 2 344.419 0.790 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@H]3CCCOC3)C2)CC1 ZINC001018353816 769168328 /nfs/dbraw/zinc/16/83/28/769168328.db2.gz GIQFEUQZUSPXQM-IRXDYDNUSA-N 1 2 349.475 0.982 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccn[nH]3)C2)CC1 ZINC001018359941 769192341 /nfs/dbraw/zinc/19/23/41/769192341.db2.gz RFOCFRDKQVXLBB-OAHLLOKOSA-N 1 2 343.431 0.429 20 30 ECEDLO C[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001018361788 769196315 /nfs/dbraw/zinc/19/63/15/769196315.db2.gz ILPSLCFNJYBJTH-AAEUAGOBSA-N 1 2 340.387 0.961 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3c[nH]c(C)n3)C2)CC1 ZINC001018362176 769197431 /nfs/dbraw/zinc/19/74/31/769197431.db2.gz CGVWLDGAPZSHBJ-HNNXBMFYSA-N 1 2 345.447 0.901 20 30 ECEDLO C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001042083536 782731706 /nfs/dbraw/zinc/73/17/06/782731706.db2.gz AORKMIAQXSYLRZ-DGCLKSJQSA-N 1 2 325.376 0.265 20 30 ECEDLO C=CC(C)(C)CC(=O)NC1CC[NH+](CCNC(=O)c2cn[nH]n2)CC1 ZINC001055598269 769222548 /nfs/dbraw/zinc/22/25/48/769222548.db2.gz NCIDONZNBGHSHE-UHFFFAOYSA-N 1 2 348.451 0.717 20 30 ECEDLO C=CC(C)(C)CC(=O)NC1CC[NH+](CCNC(=O)c2cnn[nH]2)CC1 ZINC001055598269 769222552 /nfs/dbraw/zinc/22/25/52/769222552.db2.gz NCIDONZNBGHSHE-UHFFFAOYSA-N 1 2 348.451 0.717 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3cncn3C)C2)CC1 ZINC001018371307 769227864 /nfs/dbraw/zinc/22/78/64/769227864.db2.gz VZXMWIWJIQJJAN-HNNXBMFYSA-N 1 2 345.447 0.603 20 30 ECEDLO C=CC(C)(C)C(=O)NCC[NH+]1CCC(NC(=O)c2cnn[nH]2)CC1 ZINC001055608705 769248155 /nfs/dbraw/zinc/24/81/55/769248155.db2.gz XYDWEVKURBEPPU-UHFFFAOYSA-N 1 2 334.424 0.327 20 30 ECEDLO CC(=O)CCCC(=O)NC1CC[NH+](CCNC(=O)[C@H](C)C#N)CC1 ZINC001055629559 769295169 /nfs/dbraw/zinc/29/51/69/769295169.db2.gz DGMCQBUKPXTUHY-CYBMUJFWSA-N 1 2 336.436 0.602 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2nnn(C)n2)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000993691302 769522541 /nfs/dbraw/zinc/52/25/41/769522541.db2.gz SUODTLLZLIWUIM-HOCLYGCPSA-N 1 2 338.415 0.845 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2nnn(C)n2)CCC[N@H+]1CC#Cc1ccccc1 ZINC000993691302 769522550 /nfs/dbraw/zinc/52/25/50/769522550.db2.gz SUODTLLZLIWUIM-HOCLYGCPSA-N 1 2 338.415 0.845 20 30 ECEDLO COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C#N)CCCO2)n1 ZINC001078359756 782770407 /nfs/dbraw/zinc/77/04/07/782770407.db2.gz DGBJEVZFJHPOPH-VXGBXAGGSA-N 1 2 337.380 0.083 20 30 ECEDLO N#Cc1nccc(N2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC2)n1 ZINC001055940849 770301491 /nfs/dbraw/zinc/30/14/91/770301491.db2.gz UCGRTGIMHVRKPP-CYBMUJFWSA-N 1 2 337.387 0.456 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H]1C ZINC000994217762 770324562 /nfs/dbraw/zinc/32/45/62/770324562.db2.gz XOIFASNZYHPFET-VXGBXAGGSA-N 1 2 342.827 0.602 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H]1C ZINC000994217762 770324570 /nfs/dbraw/zinc/32/45/70/770324570.db2.gz XOIFASNZYHPFET-VXGBXAGGSA-N 1 2 342.827 0.602 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(CC)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106854114 770335575 /nfs/dbraw/zinc/33/55/75/770335575.db2.gz QIPASGUMZPYEOO-LBPRGKRZSA-N 1 2 334.424 0.545 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001055998149 770501466 /nfs/dbraw/zinc/50/14/66/770501466.db2.gz OKOXWULWQZDQNA-GOSISDBHSA-N 1 2 348.447 0.955 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@@H]1C ZINC000994421051 770770797 /nfs/dbraw/zinc/77/07/97/770770797.db2.gz ZZIANKAKKMNBTM-CMPLNLGQSA-N 1 2 340.811 0.821 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@@H]1C ZINC000994421051 770770804 /nfs/dbraw/zinc/77/08/04/770770804.db2.gz ZZIANKAKKMNBTM-CMPLNLGQSA-N 1 2 340.811 0.821 20 30 ECEDLO Cc1cc(C#N)nc(N2C[C@@H](C)[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001042158312 782868673 /nfs/dbraw/zinc/86/86/73/782868673.db2.gz NQFGFVVFIVURLF-ZWNOBZJWSA-N 1 2 325.376 0.563 20 30 ECEDLO Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2c[nH+]cn2C)c(C#N)cn1 ZINC001056254340 771046668 /nfs/dbraw/zinc/04/66/68/771046668.db2.gz PRGNGNMJFUJXQK-HWWDLCQESA-N 1 2 336.399 0.789 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC001056304980 771097624 /nfs/dbraw/zinc/09/76/24/771097624.db2.gz AYDDKQHKLKNFCQ-LSDHHAIUSA-N 1 2 332.404 0.678 20 30 ECEDLO N#Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)c[nH]1 ZINC000994561622 771108567 /nfs/dbraw/zinc/10/85/67/771108567.db2.gz IVHKUTIFTUZIHZ-LLVKDONJSA-N 1 2 338.371 0.286 20 30 ECEDLO C#CCCCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001056329020 771134143 /nfs/dbraw/zinc/13/41/43/771134143.db2.gz RDEPHHGUEUIAEC-BRWVUGGUSA-N 1 2 347.459 0.712 20 30 ECEDLO C#CCCCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001056329020 771134148 /nfs/dbraw/zinc/13/41/48/771134148.db2.gz RDEPHHGUEUIAEC-BRWVUGGUSA-N 1 2 347.459 0.712 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056380719 771204295 /nfs/dbraw/zinc/20/42/95/771204295.db2.gz RTFQTESBXXJGLZ-VKJFTORMSA-N 1 2 346.431 0.871 20 30 ECEDLO N#Cc1nccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)n1 ZINC001056399388 771223593 /nfs/dbraw/zinc/22/35/93/771223593.db2.gz OSGBSWAOQWWESY-YMEQNVIZSA-N 1 2 349.398 0.742 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC001056405569 771234353 /nfs/dbraw/zinc/23/43/53/771234353.db2.gz NRGSSNHZGDMIRV-JKSUJKDBSA-N 1 2 344.415 0.515 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3nccnc3C#N)C[C@H]21 ZINC001056410001 771241126 /nfs/dbraw/zinc/24/11/26/771241126.db2.gz CMGRAFRRFFHCML-MXOJCPGVSA-N 1 2 349.398 0.436 20 30 ECEDLO N#Cc1cncc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC001056463703 771299723 /nfs/dbraw/zinc/29/97/23/771299723.db2.gz JEXYIRYVUMRDJT-MXOJCPGVSA-N 1 2 335.371 0.426 20 30 ECEDLO N#Cc1cncc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1 ZINC001056463703 771299728 /nfs/dbraw/zinc/29/97/28/771299728.db2.gz JEXYIRYVUMRDJT-MXOJCPGVSA-N 1 2 335.371 0.426 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccsc2C)[C@H](OC)C1 ZINC001212239319 771317265 /nfs/dbraw/zinc/31/72/65/771317265.db2.gz CBDUDMLGHAHXMD-NILFDRSVSA-N 1 2 349.456 0.623 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccsc2C)[C@H](OC)C1 ZINC001212239319 771317268 /nfs/dbraw/zinc/31/72/68/771317268.db2.gz CBDUDMLGHAHXMD-NILFDRSVSA-N 1 2 349.456 0.623 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@H]3CCc4[nH+]ccn4C3)C2)c1 ZINC000994608959 771352646 /nfs/dbraw/zinc/35/26/46/771352646.db2.gz NCHIMPHUBQORCL-LBPRGKRZSA-N 1 2 338.371 0.286 20 30 ECEDLO N#CCSCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056573883 771395381 /nfs/dbraw/zinc/39/53/81/771395381.db2.gz YZHZDAPPUMPLSX-ZIAGYGMSSA-N 1 2 347.444 0.801 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031620687 771477087 /nfs/dbraw/zinc/47/70/87/771477087.db2.gz BDAMTGIHOISLMV-QGZVFWFLSA-N 1 2 346.406 0.576 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CC(CNC(=O)c3ncccc3O)C2)C1=O ZINC001031628605 771527174 /nfs/dbraw/zinc/52/71/74/771527174.db2.gz PVADMGBZPRLSBU-ZDUSSCGKSA-N 1 2 330.388 0.236 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H](n2cc(C[NH2+]Cc3cccnc3)nn2)C1 ZINC001089580578 771566763 /nfs/dbraw/zinc/56/67/63/771566763.db2.gz STZNRSRDYTVFDW-CJNGLKHVSA-N 1 2 339.403 0.896 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001042211155 782944299 /nfs/dbraw/zinc/94/42/99/782944299.db2.gz OEUZMAOTSGVVMJ-ABAIWWIYSA-N 1 2 330.363 0.605 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001042211155 782944304 /nfs/dbraw/zinc/94/43/04/782944304.db2.gz OEUZMAOTSGVVMJ-ABAIWWIYSA-N 1 2 330.363 0.605 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3nc(COC)no3)C2)cn1 ZINC001019673636 771702582 /nfs/dbraw/zinc/70/25/82/771702582.db2.gz CJSJDTUXWPOQEI-AWEZNQCLSA-N 1 2 341.371 0.597 20 30 ECEDLO CN(c1cnc(C#N)cn1)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001056906666 771791367 /nfs/dbraw/zinc/79/13/67/771791367.db2.gz NBJJGSZTGBDOTO-ZDUSSCGKSA-N 1 2 325.376 0.741 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](N(C)c2nc(C)cc(C#N)n2)C1 ZINC001056949768 771853448 /nfs/dbraw/zinc/85/34/48/771853448.db2.gz URQOUKACSWASKU-AWEZNQCLSA-N 1 2 339.403 0.968 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001019882800 771956172 /nfs/dbraw/zinc/95/61/72/771956172.db2.gz OAKRJWDIDASNIK-JKSUJKDBSA-N 1 2 342.399 0.125 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](N(C)c2cnc(C#N)cn2)C1 ZINC001057047090 771992551 /nfs/dbraw/zinc/99/25/51/771992551.db2.gz OKBAHFRUYDNASU-SWLSCSKDSA-N 1 2 339.403 0.987 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](N(C)c2cnc(C#N)cn2)C1 ZINC001057047090 771992557 /nfs/dbraw/zinc/99/25/57/771992557.db2.gz OKBAHFRUYDNASU-SWLSCSKDSA-N 1 2 339.403 0.987 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCN(c2cnc(C#N)cn2)CC1 ZINC001057245595 772336332 /nfs/dbraw/zinc/33/63/32/772336332.db2.gz JUEFGCHUKWHUGQ-CYBMUJFWSA-N 1 2 339.403 0.989 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCN(c2cnc(C#N)cn2)CC1 ZINC001057245595 772336338 /nfs/dbraw/zinc/33/63/38/772336338.db2.gz JUEFGCHUKWHUGQ-CYBMUJFWSA-N 1 2 339.403 0.989 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CCCN(c2cnc(C#N)cn2)CC1 ZINC001057263907 772370661 /nfs/dbraw/zinc/37/06/61/772370661.db2.gz XQUCCQXGXFQBFH-UHFFFAOYSA-N 1 2 339.403 0.753 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001020372567 772504591 /nfs/dbraw/zinc/50/45/91/772504591.db2.gz QTAYDWCKUAPAQY-XGUBFFRZSA-N 1 2 332.404 0.580 20 30 ECEDLO C#CCCCCC(=O)NCCN(CCO)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001057609962 772811434 /nfs/dbraw/zinc/81/14/34/772811434.db2.gz WWNBLJPSHAFRQN-INIZCTEOSA-N 1 2 348.447 0.965 20 30 ECEDLO N#Cc1nccc(N[C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)n1 ZINC001057728363 772949026 /nfs/dbraw/zinc/94/90/26/772949026.db2.gz MWLZYBZPXSDYKN-ZDUSSCGKSA-N 1 2 325.376 0.460 20 30 ECEDLO CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001057947239 773251836 /nfs/dbraw/zinc/25/18/36/773251836.db2.gz TYBRIRLUHFCVOV-HNNXBMFYSA-N 1 2 346.431 0.042 20 30 ECEDLO CC(C)(C)C#CC(=O)NCCN(CCO)C(=O)CCCn1cc[nH+]c1 ZINC001057984152 773338050 /nfs/dbraw/zinc/33/80/50/773338050.db2.gz MABQFDNENIZLEI-UHFFFAOYSA-N 1 2 348.447 0.650 20 30 ECEDLO CN(C(=O)Cn1cc[nH+]c1)C1CCN(c2cncc(C#N)n2)CC1 ZINC001058058347 773449069 /nfs/dbraw/zinc/44/90/69/773449069.db2.gz FMNGZCGHTWWVGL-UHFFFAOYSA-N 1 2 325.376 0.672 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCCN(c2nccnc2C#N)C1 ZINC001058177369 773707839 /nfs/dbraw/zinc/70/78/39/773707839.db2.gz XTFZPCWCLBTVIF-LBPRGKRZSA-N 1 2 325.376 0.409 20 30 ECEDLO C=C1CC(C)(C(=O)NCCN(CCO)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001058263538 773874139 /nfs/dbraw/zinc/87/41/39/773874139.db2.gz PBWYSUSNQWIHDS-UHFFFAOYSA-N 1 2 334.420 0.554 20 30 ECEDLO N#Cc1cnc(N2CCC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cn1 ZINC001058265212 773878639 /nfs/dbraw/zinc/87/86/39/773878639.db2.gz BXFDKRXYMQPIIC-IACUBPJLSA-N 1 2 337.387 0.960 20 30 ECEDLO N#Cc1cnc(N2CCC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cn1 ZINC001058265212 773878643 /nfs/dbraw/zinc/87/86/43/773878643.db2.gz BXFDKRXYMQPIIC-IACUBPJLSA-N 1 2 337.387 0.960 20 30 ECEDLO C=C(C)CCC(=O)NCCN(CCO)C(=O)CCc1[nH+]ccn1C ZINC001058352898 774022423 /nfs/dbraw/zinc/02/24/23/774022423.db2.gz MJGFRGZJSXILLV-UHFFFAOYSA-N 1 2 336.436 0.646 20 30 ECEDLO C#CCCCCC(=O)NCCN(CCO)C(=O)CCc1c[nH+]cn1C ZINC001058365141 774036507 /nfs/dbraw/zinc/03/65/07/774036507.db2.gz JBOIOQZADUQJFC-UHFFFAOYSA-N 1 2 348.447 0.483 20 30 ECEDLO C[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CN1c1ccnc(C#N)n1 ZINC001039817875 783145385 /nfs/dbraw/zinc/14/53/85/783145385.db2.gz IYVZVQBTIMPJHY-RYUDHWBXSA-N 1 2 325.376 0.788 20 30 ECEDLO CCc1nc(C#N)cc(N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001058425249 774153031 /nfs/dbraw/zinc/15/30/31/774153031.db2.gz WSOURIZYOIBQHT-NSHDSACASA-N 1 2 325.376 0.571 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)CCn1cc[nH+]c1 ZINC001058437363 774177584 /nfs/dbraw/zinc/17/75/84/774177584.db2.gz BTNNFIGPWDWNCE-GJZGRUSLSA-N 1 2 336.436 0.669 20 30 ECEDLO N#Cc1cnc(N2CC[C@@H](NC(=O)[C@H]3CCn4cc[nH+]c4C3)C2)cn1 ZINC001058481396 774272420 /nfs/dbraw/zinc/27/24/20/774272420.db2.gz QUHDHQMDZSETCQ-QWHCGFSZSA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCc4c[nH+]cn4C3)C2)nn1 ZINC001058481458 774273062 /nfs/dbraw/zinc/27/30/62/774273062.db2.gz RZHXTSISVRCLPO-GXTWGEPZSA-N 1 2 337.387 0.502 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(c2ccnc(C#N)n2)C1 ZINC001058548494 774412440 /nfs/dbraw/zinc/41/24/40/774412440.db2.gz QBWKUMYREYGBAY-JHJVBQTASA-N 1 2 337.387 0.580 20 30 ECEDLO C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CNc1ccnc(C#N)n1 ZINC001039876230 783216934 /nfs/dbraw/zinc/21/69/34/783216934.db2.gz WUYWAMUYBHJXFQ-QWHCGFSZSA-N 1 2 339.403 0.632 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CN(c3ccncc3C#N)C[C@H]21 ZINC001040674217 783231334 /nfs/dbraw/zinc/23/13/34/783231334.db2.gz REDAXINBYDVJAC-SUMWQHHRSA-N 1 2 336.399 0.967 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)CCO2 ZINC001068470954 790338164 /nfs/dbraw/zinc/33/81/64/790338164.db2.gz XPCZQYABTMZMMY-CQSZACIVSA-N 1 2 346.431 0.994 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2nnn(CC)c2CC)[C@@H](n2ccnn2)C1 ZINC001070024294 790363543 /nfs/dbraw/zinc/36/35/43/790363543.db2.gz JZGGYRYFSGIPRR-OCCSQVGLSA-N 1 2 344.423 0.293 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2nnn(CC)c2CC)[C@@H](n2ccnn2)C1 ZINC001070024294 790363560 /nfs/dbraw/zinc/36/35/60/790363560.db2.gz JZGGYRYFSGIPRR-OCCSQVGLSA-N 1 2 344.423 0.293 20 30 ECEDLO C#Cc1ccc(C(=O)NC2(C)CC[NH+](Cc3cn(C)nn3)CC2)nc1 ZINC001045625871 775915600 /nfs/dbraw/zinc/91/56/00/775915600.db2.gz XVYYWBAQZICLDW-UHFFFAOYSA-N 1 2 338.415 0.976 20 30 ECEDLO CCN(C(=O)CCc1[nH]cc[nH+]1)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001079691405 776696301 /nfs/dbraw/zinc/69/63/01/776696301.db2.gz OABLKDMJVVQSHK-UHFFFAOYSA-N 1 2 340.387 0.915 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ncccc2F)[C@@H](n2ccnn2)C1 ZINC001070062921 790484535 /nfs/dbraw/zinc/48/45/35/790484535.db2.gz KKBFDRXPHUXJQT-KGLIPLIRSA-N 1 2 328.351 0.491 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ncccc2F)[C@@H](n2ccnn2)C1 ZINC001070062921 790484540 /nfs/dbraw/zinc/48/45/40/790484540.db2.gz KKBFDRXPHUXJQT-KGLIPLIRSA-N 1 2 328.351 0.491 20 30 ECEDLO CCN(C(=O)[C@H](c1cccnc1)[NH+](C)C)C1CN(C(=O)[C@H](C)C#N)C1 ZINC001079938916 777114429 /nfs/dbraw/zinc/11/44/29/777114429.db2.gz YRXBRNJSPLPZFF-CJNGLKHVSA-N 1 2 343.431 0.903 20 30 ECEDLO C#CCOCCC(=O)N1CC(N(CC)C(=O)CCCn2cc[nH+]c2)C1 ZINC001080026637 777255403 /nfs/dbraw/zinc/25/54/03/777255403.db2.gz AZXSRYYHWLDMQP-UHFFFAOYSA-N 1 2 346.431 0.763 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cn2cc3ccccc3n2)[C@@H](n2ccnn2)C1 ZINC001070077818 790528687 /nfs/dbraw/zinc/52/86/87/790528687.db2.gz MQXNEUCWJNABDZ-SJORKVTESA-N 1 2 349.398 0.303 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cn2cc3ccccc3n2)[C@@H](n2ccnn2)C1 ZINC001070077818 790528695 /nfs/dbraw/zinc/52/86/95/790528695.db2.gz MQXNEUCWJNABDZ-SJORKVTESA-N 1 2 349.398 0.303 20 30 ECEDLO CCN(C(=O)CCn1cc[nH+]c1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001080166698 777490047 /nfs/dbraw/zinc/49/00/47/777490047.db2.gz BTVLUIZUQLHGQE-UHFFFAOYSA-N 1 2 340.387 0.846 20 30 ECEDLO CCN(C(=O)CCn1cc[nH+]c1)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001080167188 777491980 /nfs/dbraw/zinc/49/19/80/777491980.db2.gz XBHHFGFJQUPCLO-UHFFFAOYSA-N 1 2 340.387 0.846 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001080183341 777513558 /nfs/dbraw/zinc/51/35/58/777513558.db2.gz RFPKQMJFZFASGR-GLXFQSAKSA-N 1 2 344.253 0.858 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001080183341 777513561 /nfs/dbraw/zinc/51/35/61/777513561.db2.gz RFPKQMJFZFASGR-GLXFQSAKSA-N 1 2 344.253 0.858 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1Nc1cnc(C#N)cn1 ZINC001043282865 778092187 /nfs/dbraw/zinc/09/21/87/778092187.db2.gz OZZAQNIOCWQYPJ-IUODEOHRSA-N 1 2 339.403 0.973 20 30 ECEDLO Cc1cc(C#N)nc(N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)n1 ZINC001043295187 778116083 /nfs/dbraw/zinc/11/60/83/778116083.db2.gz MBXVBRMLMYMXBN-ZWNOBZJWSA-N 1 2 325.376 0.881 20 30 ECEDLO CC(C)C[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1)n1cc[nH+]c1 ZINC001043487996 778411364 /nfs/dbraw/zinc/41/13/64/778411364.db2.gz DOFWGLHQIVAHHJ-UONOGXRCSA-N 1 2 347.419 0.319 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)/C(C)=C\CC)C1 ZINC001043649639 778666366 /nfs/dbraw/zinc/66/63/66/778666366.db2.gz QJLHPTQBJANKQM-GSHXUFRSSA-N 1 2 333.432 0.130 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)/C(C)=C\CC)C1 ZINC001043649639 778666370 /nfs/dbraw/zinc/66/63/70/778666370.db2.gz QJLHPTQBJANKQM-GSHXUFRSSA-N 1 2 333.432 0.130 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CC=CCC2)C1 ZINC001043649536 778666540 /nfs/dbraw/zinc/66/65/40/778666540.db2.gz NRMLQSDNZUJDNR-HOTGVXAUSA-N 1 2 345.443 0.130 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CC=CCC2)C1 ZINC001043649536 778666545 /nfs/dbraw/zinc/66/65/45/778666545.db2.gz NRMLQSDNZUJDNR-HOTGVXAUSA-N 1 2 345.443 0.130 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)/C=C(\C)CC)C1 ZINC001043649538 778666779 /nfs/dbraw/zinc/66/67/79/778666779.db2.gz NRTFLUNWKWWUTG-IPJDOKCGSA-N 1 2 333.432 0.130 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)/C=C(\C)CC)C1 ZINC001043649538 778666781 /nfs/dbraw/zinc/66/67/81/778666781.db2.gz NRTFLUNWKWWUTG-IPJDOKCGSA-N 1 2 333.432 0.130 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H](C)CCC)C1 ZINC001043650219 778667402 /nfs/dbraw/zinc/66/74/02/778667402.db2.gz ROVHFNINJDPXSD-CABCVRRESA-N 1 2 335.448 0.210 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H](C)CCC)C1 ZINC001043650219 778667404 /nfs/dbraw/zinc/66/74/04/778667404.db2.gz ROVHFNINJDPXSD-CABCVRRESA-N 1 2 335.448 0.210 20 30 ECEDLO N#Cc1ccc(N2C[C@H]3OCCN(C(=O)Cn4cc[nH+]c4)[C@H]3C2)nc1 ZINC001043729126 778783785 /nfs/dbraw/zinc/78/37/85/778783785.db2.gz RKCHSTAQOGJTAF-LSDHHAIUSA-N 1 2 338.371 0.266 20 30 ECEDLO CC(C)C#CC(=O)N1CC(O)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001043762706 778828174 /nfs/dbraw/zinc/82/81/74/778828174.db2.gz LRYXUNAFEVLJNA-UHFFFAOYSA-N 1 2 340.383 0.525 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)C2C[NH+](CCCN3CCCC3=O)C2)c1 ZINC001043825187 778919386 /nfs/dbraw/zinc/91/93/86/778919386.db2.gz XVMZFCMKQVUQCZ-UHFFFAOYSA-N 1 2 340.427 0.832 20 30 ECEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)O1 ZINC001068620764 790730924 /nfs/dbraw/zinc/73/09/24/790730924.db2.gz RGFCESUTWSGWOS-GXTWGEPZSA-N 1 2 345.403 0.378 20 30 ECEDLO C[C@@H](C#N)C(=O)NC[C@H]1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)O1 ZINC001068620764 790730937 /nfs/dbraw/zinc/73/09/37/790730937.db2.gz RGFCESUTWSGWOS-GXTWGEPZSA-N 1 2 345.403 0.378 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001078538431 780098706 /nfs/dbraw/zinc/09/87/06/780098706.db2.gz UTILERWODODGON-CFVMTHIKSA-N 1 2 334.420 0.944 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001078538431 780098717 /nfs/dbraw/zinc/09/87/17/780098717.db2.gz UTILERWODODGON-CFVMTHIKSA-N 1 2 334.420 0.944 20 30 ECEDLO Cn1nnc(C[NH2+][C@@H]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C23CCC3)n1 ZINC001078599204 780199437 /nfs/dbraw/zinc/19/94/37/780199437.db2.gz QEJUKQDLKYOBMM-CHWSQXEVSA-N 1 2 340.391 0.241 20 30 ECEDLO C[C@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCOCC1 ZINC001070156877 790776492 /nfs/dbraw/zinc/77/64/92/790776492.db2.gz ZBAFSVMQVXTSRK-JHJVBQTASA-N 1 2 345.403 0.454 20 30 ECEDLO C[C@H](C#N)C(=O)NCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCOCC1 ZINC001070156877 790776496 /nfs/dbraw/zinc/77/64/96/790776496.db2.gz ZBAFSVMQVXTSRK-JHJVBQTASA-N 1 2 345.403 0.454 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1C[NH+](C[C@H]2CCc3ncnn32)C1 ZINC001042638825 780574915 /nfs/dbraw/zinc/57/49/15/780574915.db2.gz VEPQHLCVJDFZMS-CYBMUJFWSA-N 1 2 325.376 0.422 20 30 ECEDLO C#CCCCCC(=O)NCC1(O)CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001042663736 780606498 /nfs/dbraw/zinc/60/64/98/780606498.db2.gz CWTRONRZMLKOJB-UHFFFAOYSA-N 1 2 332.404 0.156 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001079046186 780721092 /nfs/dbraw/zinc/72/10/92/780721092.db2.gz UGJKLSQOUBQMCH-AWEZNQCLSA-N 1 2 334.420 0.994 20 30 ECEDLO CO[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001042987847 781143550 /nfs/dbraw/zinc/14/35/50/781143550.db2.gz YGBWLCFOSCLQBG-ZIAGYGMSSA-N 1 2 326.360 0.239 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2nccc(C)n2)C[C@H]1OC ZINC001043019170 781191318 /nfs/dbraw/zinc/19/13/18/781191318.db2.gz XSSWQMHJXQYHLI-OWCLPIDISA-N 1 2 343.431 0.202 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2nccc(C)n2)C[C@H]1OC ZINC001043019170 781191321 /nfs/dbraw/zinc/19/13/21/781191321.db2.gz XSSWQMHJXQYHLI-OWCLPIDISA-N 1 2 343.431 0.202 20 30 ECEDLO COc1nccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001079543669 781247348 /nfs/dbraw/zinc/24/73/48/781247348.db2.gz MYUCFUJRBJYBFT-IAQYHMDHSA-N 1 2 340.387 0.935 20 30 ECEDLO COc1nccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001079543669 781247353 /nfs/dbraw/zinc/24/73/53/781247353.db2.gz MYUCFUJRBJYBFT-IAQYHMDHSA-N 1 2 340.387 0.935 20 30 ECEDLO C=CCOCCCC(=O)N(CC)C1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001079551615 781258109 /nfs/dbraw/zinc/25/81/09/781258109.db2.gz UUHDLAAVXPTQJQ-UHFFFAOYSA-N 1 2 334.420 0.994 20 30 ECEDLO COc1cncc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001079600984 781307189 /nfs/dbraw/zinc/30/71/89/781307189.db2.gz BWSFBLBNUGCXDV-IAQYHMDHSA-N 1 2 340.387 0.935 20 30 ECEDLO COc1cncc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001079600984 781307196 /nfs/dbraw/zinc/30/71/96/781307196.db2.gz BWSFBLBNUGCXDV-IAQYHMDHSA-N 1 2 340.387 0.935 20 30 ECEDLO C#CC[N@H+]1CC[C@@]2(CCN(C(=O)CS(=O)(=O)C3CCCC3)C2)C1 ZINC001041412644 781454231 /nfs/dbraw/zinc/45/42/31/781454231.db2.gz NTKZHZYSFFHNBB-QGZVFWFLSA-N 1 2 338.473 0.901 20 30 ECEDLO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)CS(=O)(=O)C3CCCC3)C2)C1 ZINC001041412644 781454239 /nfs/dbraw/zinc/45/42/39/781454239.db2.gz NTKZHZYSFFHNBB-QGZVFWFLSA-N 1 2 338.473 0.901 20 30 ECEDLO N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)nn1 ZINC001041426312 781483001 /nfs/dbraw/zinc/48/30/01/781483001.db2.gz VDQCMHBCGUZZIR-HUUCEWRRSA-N 1 2 349.354 0.204 20 30 ECEDLO N#CCN1CC[C@]2(CCN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)C2)C1 ZINC001041504544 781650941 /nfs/dbraw/zinc/65/09/41/781650941.db2.gz AAYPOKUVZAFUBJ-HKUYNNGSSA-N 1 2 346.475 0.935 20 30 ECEDLO N#CCN1CC[C@]2(CCN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)C2)C1 ZINC001041504544 781650945 /nfs/dbraw/zinc/65/09/45/781650945.db2.gz AAYPOKUVZAFUBJ-HKUYNNGSSA-N 1 2 346.475 0.935 20 30 ECEDLO N#Cc1cnc(NC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CCCO2)cn1 ZINC001041511075 781669905 /nfs/dbraw/zinc/66/99/05/781669905.db2.gz WPBKURCKARNBDQ-ZDUSSCGKSA-N 1 2 341.375 0.343 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3ccccn3)c2)C1 ZINC001077771145 781672093 /nfs/dbraw/zinc/67/20/93/781672093.db2.gz YDMXOZWSYDLLGM-HUUCEWRRSA-N 1 2 325.372 0.066 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3ccccn3)c2)C1 ZINC001077771145 781672098 /nfs/dbraw/zinc/67/20/98/781672098.db2.gz YDMXOZWSYDLLGM-HUUCEWRRSA-N 1 2 325.372 0.066 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1O ZINC001077821882 781758505 /nfs/dbraw/zinc/75/85/05/781758505.db2.gz LOVQETJFKONELP-YJNKXOJESA-N 1 2 337.445 0.786 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cncs2)C[C@H]1O ZINC001077821882 781758508 /nfs/dbraw/zinc/75/85/08/781758508.db2.gz LOVQETJFKONELP-YJNKXOJESA-N 1 2 337.445 0.786 20 30 ECEDLO C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1CNc1ccnc(C#N)n1 ZINC001039893958 783236864 /nfs/dbraw/zinc/23/68/64/783236864.db2.gz VJAKRNPATOLBRE-OLZOCXBDSA-N 1 2 339.403 0.632 20 30 ECEDLO C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001039987111 783359428 /nfs/dbraw/zinc/35/94/28/783359428.db2.gz MSVANWHGMKLTDM-SFHVURJKSA-N 1 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ZINC001070233691 783711392 /nfs/dbraw/zinc/71/13/92/783711392.db2.gz CEAYTDPWBGWFJF-ZDUSSCGKSA-N 1 2 333.392 0.214 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)c2cc(CC)n[nH]2)C1=O ZINC001038065349 783809538 /nfs/dbraw/zinc/80/95/38/783809538.db2.gz AHHLUJBMGKKLDR-UKRRQHHQSA-N 1 2 331.420 0.563 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)c2cc(CC)n[nH]2)C1=O ZINC001038065349 783809546 /nfs/dbraw/zinc/80/95/46/783809546.db2.gz AHHLUJBMGKKLDR-UKRRQHHQSA-N 1 2 331.420 0.563 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)c2ccc(F)cn2)C1=O ZINC001038184947 783966740 /nfs/dbraw/zinc/96/67/40/783966740.db2.gz WNQAWXDDTUOCOG-HIFRSBDPSA-N 1 2 332.379 0.812 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)c2ccc(F)cn2)C1=O ZINC001038184947 783966748 /nfs/dbraw/zinc/96/67/48/783966748.db2.gz WNQAWXDDTUOCOG-HIFRSBDPSA-N 1 2 332.379 0.812 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)c2nccn2CC)C1=O ZINC001038200876 783990387 /nfs/dbraw/zinc/99/03/87/783990387.db2.gz 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/nfs/dbraw/zinc/63/67/19/784636719.db2.gz JEGMZXHVPPTVIZ-SWLSCSKDSA-N 1 2 339.827 0.873 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1nccn1)C[C@@H](C)O2 ZINC001071174417 784661517 /nfs/dbraw/zinc/66/15/17/784661517.db2.gz XPAYZVPILOQORU-UKRRQHHQSA-N 1 2 339.827 0.722 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1nccn1)C[C@@H](C)O2 ZINC001071174417 784661534 /nfs/dbraw/zinc/66/15/34/784661534.db2.gz XPAYZVPILOQORU-UKRRQHHQSA-N 1 2 339.827 0.722 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)C(C)(C)C(N)=O)C[C@@H](C)O2 ZINC001071178097 784672106 /nfs/dbraw/zinc/67/21/06/784672106.db2.gz KLXMLRCNXUZDBA-WBMJQRKESA-N 1 2 343.855 0.942 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C(C)(C)C(N)=O)C[C@@H](C)O2 ZINC001071178097 784672116 /nfs/dbraw/zinc/67/21/16/784672116.db2.gz KLXMLRCNXUZDBA-WBMJQRKESA-N 1 2 343.855 0.942 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001070799191 784696841 /nfs/dbraw/zinc/69/68/41/784696841.db2.gz 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ZINC001071264369 784884528 /nfs/dbraw/zinc/88/45/28/784884528.db2.gz UWXNDALHDIXXRL-DOTOQJQBSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3oncc3C)C2)C(=O)C1 ZINC001071277404 784923720 /nfs/dbraw/zinc/92/37/20/784923720.db2.gz TVSVUMISXZLMLJ-OAHLLOKOSA-N 1 2 344.415 0.755 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3oncc3C)C2)C(=O)C1 ZINC001071277404 784923723 /nfs/dbraw/zinc/92/37/23/784923723.db2.gz TVSVUMISXZLMLJ-OAHLLOKOSA-N 1 2 344.415 0.755 20 30 ECEDLO C=CCCC(=O)N[C@@H]1COC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001068753542 791075613 /nfs/dbraw/zinc/07/56/13/791075613.db2.gz PLPXEDFMGMXVTR-ZDUSSCGKSA-N 1 2 332.404 0.713 20 30 ECEDLO C[C@@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C[N@@H+]1Cc1cnnn1C ZINC001071438200 785087864 /nfs/dbraw/zinc/08/78/64/785087864.db2.gz NKWYOVSQFRTLEC-DGCLKSJQSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C[N@H+]1Cc1cnnn1C ZINC001071438200 785087873 /nfs/dbraw/zinc/08/78/73/785087873.db2.gz 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C[C@@H]1CC[C@H](NC(=O)c2nnn(C)n2)C[N@H+]1Cc1ccccc1C#N ZINC001071744327 785626558 /nfs/dbraw/zinc/62/65/58/785626558.db2.gz KQIHVVVDNKEQIX-DOMZBBRYSA-N 1 2 339.403 0.865 20 30 ECEDLO C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001072101619 785671389 /nfs/dbraw/zinc/67/13/89/785671389.db2.gz QAEYBTJFPWPMFB-CABCVRRESA-N 1 2 332.404 0.276 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001072317518 786030658 /nfs/dbraw/zinc/03/06/58/786030658.db2.gz QHIGAUQGYMACRL-HIFRSBDPSA-N 1 2 332.404 0.345 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001072317518 786030660 /nfs/dbraw/zinc/03/06/60/786030660.db2.gz QHIGAUQGYMACRL-HIFRSBDPSA-N 1 2 332.404 0.345 20 30 ECEDLO C=CCCOCC(=O)N1C[C@@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001072337839 786043005 /nfs/dbraw/zinc/04/30/05/786043005.db2.gz XLJMKUOKZRAQOG-HUUCEWRRSA-N 1 2 348.447 0.909 20 30 ECEDLO C=CCCOCC(=O)N1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001072338723 786043741 /nfs/dbraw/zinc/04/37/41/786043741.db2.gz HSSCTGYKXNMEIN-HUUCEWRRSA-N 1 2 334.420 0.829 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1cn(CC3CC3)nn1)C2 ZINC001072553104 786357415 /nfs/dbraw/zinc/35/74/15/786357415.db2.gz VYWCBXGQGATYKA-CYBMUJFWSA-N 1 2 328.420 0.882 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](Cc1cn(CC3CC3)nn1)C2 ZINC001072553104 786357417 /nfs/dbraw/zinc/35/74/17/786357417.db2.gz VYWCBXGQGATYKA-CYBMUJFWSA-N 1 2 328.420 0.882 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@H+](CC(=O)N(C)c1nccs1)C2 ZINC001072552873 786357541 /nfs/dbraw/zinc/35/75/41/786357541.db2.gz TXQKDMDGEXFNEO-LBPRGKRZSA-N 1 2 347.444 0.800 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](CC(=O)N(C)c1nccs1)C2 ZINC001072552873 786357544 /nfs/dbraw/zinc/35/75/44/786357544.db2.gz TXQKDMDGEXFNEO-LBPRGKRZSA-N 1 2 347.444 0.800 20 30 ECEDLO C[C@H](c1nnnn1C1CC1)[N@@H+]1CCC2(CN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001072553043 786357576 /nfs/dbraw/zinc/35/75/76/786357576.db2.gz VTUYALRXJRISTO-NWDGAFQWSA-N 1 2 329.408 0.763 20 30 ECEDLO C[C@H](c1nnnn1C1CC1)[N@H+]1CCC2(CN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001072553043 786357580 /nfs/dbraw/zinc/35/75/80/786357580.db2.gz VTUYALRXJRISTO-NWDGAFQWSA-N 1 2 329.408 0.763 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001073526823 786478726 /nfs/dbraw/zinc/47/87/26/786478726.db2.gz MBWOCAJNSRZJSS-LLVKDONJSA-N 1 2 326.784 0.755 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001073526823 786478730 /nfs/dbraw/zinc/47/87/30/786478730.db2.gz MBWOCAJNSRZJSS-LLVKDONJSA-N 1 2 326.784 0.755 20 30 ECEDLO N#CCN1CCO[C@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@H]21 ZINC001074245872 786502193 /nfs/dbraw/zinc/50/21/93/786502193.db2.gz VLYGNXRKFROSMS-HOTGVXAUSA-N 1 2 343.431 0.587 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccnc4[nH]cnc43)C[C@H]21 ZINC001074255401 786524799 /nfs/dbraw/zinc/52/47/99/786524799.db2.gz DLTLJPPCZKSTJB-HUUCEWRRSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccnc4[nH]cnc43)C[C@H]21 ZINC001074255401 786524804 /nfs/dbraw/zinc/52/48/04/786524804.db2.gz DLTLJPPCZKSTJB-HUUCEWRRSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3ccncn3)C[C@@H]21 ZINC001074259295 786534147 /nfs/dbraw/zinc/53/41/47/786534147.db2.gz LEGGJUWIHUZYGV-DLBZAZTESA-N 1 2 328.416 0.734 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3ccncn3)C[C@@H]21 ZINC001074259295 786534148 /nfs/dbraw/zinc/53/41/48/786534148.db2.gz LEGGJUWIHUZYGV-DLBZAZTESA-N 1 2 328.416 0.734 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C(C)(C)C)nn3)C[C@@H]21 ZINC001074260698 786536818 /nfs/dbraw/zinc/53/68/18/786536818.db2.gz YPRNCKJKUKXYEF-JKSUJKDBSA-N 1 2 345.447 0.972 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C(C)(C)C)nn3)C[C@@H]21 ZINC001074260698 786536821 /nfs/dbraw/zinc/53/68/21/786536821.db2.gz YPRNCKJKUKXYEF-JKSUJKDBSA-N 1 2 345.447 0.972 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)COc3cc(C)on3)C[C@@H]21 ZINC001074271953 786559527 /nfs/dbraw/zinc/55/95/27/786559527.db2.gz VBFKSQOOOGLWST-LSDHHAIUSA-N 1 2 333.388 0.687 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)COc3cc(C)on3)C[C@@H]21 ZINC001074271953 786559536 /nfs/dbraw/zinc/55/95/36/786559536.db2.gz VBFKSQOOOGLWST-LSDHHAIUSA-N 1 2 333.388 0.687 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@H]21 ZINC001074273061 786560774 /nfs/dbraw/zinc/56/07/74/786560774.db2.gz DCDPWSYJYWYDIO-HUUCEWRRSA-N 1 2 344.415 0.325 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@H]21 ZINC001074273061 786560777 /nfs/dbraw/zinc/56/07/77/786560777.db2.gz DCDPWSYJYWYDIO-HUUCEWRRSA-N 1 2 344.415 0.325 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(OCC)n[nH]3)C[C@H]21 ZINC001074273743 786563327 /nfs/dbraw/zinc/56/33/27/786563327.db2.gz OFJBQJUDFAFTIU-CABCVRRESA-N 1 2 332.404 0.747 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(OCC)n[nH]3)C[C@H]21 ZINC001074273743 786563333 /nfs/dbraw/zinc/56/33/33/786563333.db2.gz OFJBQJUDFAFTIU-CABCVRRESA-N 1 2 332.404 0.747 20 30 ECEDLO C=CCCC(=O)N1CCN(C2CN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001073553051 786569509 /nfs/dbraw/zinc/56/95/09/786569509.db2.gz LRGJRGSSSUXLSK-UHFFFAOYSA-N 1 2 345.447 0.664 20 30 ECEDLO C=CCCC(=O)N1CCN(C2CN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001073553051 786569515 /nfs/dbraw/zinc/56/95/15/786569515.db2.gz LRGJRGSSSUXLSK-UHFFFAOYSA-N 1 2 345.447 0.664 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnn(C)c3CC)C[C@H]21 ZINC001074285766 786595754 /nfs/dbraw/zinc/59/57/54/786595754.db2.gz GWFKZCLNQXRIHK-SJORKVTESA-N 1 2 330.432 0.921 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnn(C)c3CC)C[C@H]21 ZINC001074285766 786595764 /nfs/dbraw/zinc/59/57/64/786595764.db2.gz GWFKZCLNQXRIHK-SJORKVTESA-N 1 2 330.432 0.921 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCN3C(=O)CCC3=O)C[C@H]21 ZINC001074289475 786603611 /nfs/dbraw/zinc/60/36/11/786603611.db2.gz RPIZOLUAPBEINT-CABCVRRESA-N 1 2 349.431 0.403 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCN3C(=O)CCC3=O)C[C@H]21 ZINC001074289475 786603618 /nfs/dbraw/zinc/60/36/18/786603618.db2.gz RPIZOLUAPBEINT-CABCVRRESA-N 1 2 349.431 0.403 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc4ncnn43)C[C@@H]21 ZINC001074289230 786603922 /nfs/dbraw/zinc/60/39/22/786603922.db2.gz PQPOKGBGGGDEFR-JKSUJKDBSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc4ncnn43)C[C@@H]21 ZINC001074289230 786603928 /nfs/dbraw/zinc/60/39/28/786603928.db2.gz PQPOKGBGGGDEFR-JKSUJKDBSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3cn(CC)nn3)C[C@H]21 ZINC001074301726 786630169 /nfs/dbraw/zinc/63/01/69/786630169.db2.gz GBMHDGRCZCIDRI-CVEARBPZSA-N 1 2 331.420 0.166 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3cn(CC)nn3)C[C@H]21 ZINC001074301726 786630170 /nfs/dbraw/zinc/63/01/70/786630170.db2.gz GBMHDGRCZCIDRI-CVEARBPZSA-N 1 2 331.420 0.166 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]3OCC[N@@H+](CCCO)[C@H]3C2)cc1 ZINC001074312325 786653893 /nfs/dbraw/zinc/65/38/93/786653893.db2.gz LRLXKPPSLLCZBY-ZWKOTPCHSA-N 1 2 328.412 0.966 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]3OCC[N@H+](CCCO)[C@H]3C2)cc1 ZINC001074312325 786653897 /nfs/dbraw/zinc/65/38/97/786653897.db2.gz LRLXKPPSLLCZBY-ZWKOTPCHSA-N 1 2 328.412 0.966 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3c(C)nc[nH]c3=O)C[C@@H]21 ZINC001074317738 786662387 /nfs/dbraw/zinc/66/23/87/786662387.db2.gz VFVFCMWCNGCPFX-KBPBESRZSA-N 1 2 330.388 0.429 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3c(C)nc[nH]c3=O)C[C@@H]21 ZINC001074317738 786662391 /nfs/dbraw/zinc/66/23/91/786662391.db2.gz VFVFCMWCNGCPFX-KBPBESRZSA-N 1 2 330.388 0.429 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@H]3OCC[N@@H+](CCOC)[C@@H]3C2)nn1 ZINC001074353391 786737463 /nfs/dbraw/zinc/73/74/63/786737463.db2.gz DQQQITGLMCMMCD-HZPDHXFCSA-N 1 2 349.435 0.416 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@H]3OCC[N@H+](CCOC)[C@@H]3C2)nn1 ZINC001074353391 786737465 /nfs/dbraw/zinc/73/74/65/786737465.db2.gz DQQQITGLMCMMCD-HZPDHXFCSA-N 1 2 349.435 0.416 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)C[C@@H]21 ZINC001074362509 786758170 /nfs/dbraw/zinc/75/81/70/786758170.db2.gz GKZJXNQOUOHXAT-JKSUJKDBSA-N 1 2 344.415 0.202 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(CC)n3)C[C@@H]21 ZINC001074362509 786758174 /nfs/dbraw/zinc/75/81/74/786758174.db2.gz GKZJXNQOUOHXAT-JKSUJKDBSA-N 1 2 344.415 0.202 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@@H]21 ZINC001074368139 786772709 /nfs/dbraw/zinc/77/27/09/786772709.db2.gz AOUNITXBTWMPSH-GJZGRUSLSA-N 1 2 332.404 0.605 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@@H]21 ZINC001074368139 786772715 /nfs/dbraw/zinc/77/27/15/786772715.db2.gz AOUNITXBTWMPSH-GJZGRUSLSA-N 1 2 332.404 0.605 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]3OCC[N@@H+](CCCO)[C@@H]3C2)cn1 ZINC001074387855 786826572 /nfs/dbraw/zinc/82/65/72/786826572.db2.gz RHAZPNYMFILPRB-IAGOWNOFSA-N 1 2 329.400 0.361 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]3OCC[N@H+](CCCO)[C@@H]3C2)cn1 ZINC001074387855 786826583 /nfs/dbraw/zinc/82/65/83/786826583.db2.gz RHAZPNYMFILPRB-IAGOWNOFSA-N 1 2 329.400 0.361 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 ZINC001074403158 786869252 /nfs/dbraw/zinc/86/92/52/786869252.db2.gz RCKQQSOBLALRIF-ZIAGYGMSSA-N 1 2 335.404 0.013 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 ZINC001074403158 786869261 /nfs/dbraw/zinc/86/92/61/786869261.db2.gz RCKQQSOBLALRIF-ZIAGYGMSSA-N 1 2 335.404 0.013 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCn3cc(C)cn3)C[C@H]21 ZINC001074415149 786912105 /nfs/dbraw/zinc/91/21/05/786912105.db2.gz LMMRHNPMBCUFHG-IAGOWNOFSA-N 1 2 330.432 0.907 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCn3cc(C)cn3)C[C@H]21 ZINC001074415149 786912111 /nfs/dbraw/zinc/91/21/11/786912111.db2.gz LMMRHNPMBCUFHG-IAGOWNOFSA-N 1 2 330.432 0.907 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H]1CN(CC#N)CCCO1)C2 ZINC001073670697 786925592 /nfs/dbraw/zinc/92/55/92/786925592.db2.gz LXRAHDIPSQFIFD-KBPBESRZSA-N 1 2 331.420 0.554 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CN(CC#N)CCCO1)CC2 ZINC001073670697 786925597 /nfs/dbraw/zinc/92/55/97/786925597.db2.gz LXRAHDIPSQFIFD-KBPBESRZSA-N 1 2 331.420 0.554 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)CCCC)CC1 ZINC001074478839 787032708 /nfs/dbraw/zinc/03/27/08/787032708.db2.gz SRJYPSYAXMPVOO-INIZCTEOSA-N 1 2 349.475 0.744 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)CCCC)CC1 ZINC001074478839 787032719 /nfs/dbraw/zinc/03/27/19/787032719.db2.gz SRJYPSYAXMPVOO-INIZCTEOSA-N 1 2 349.475 0.744 20 30 ECEDLO C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001073797021 787220936 /nfs/dbraw/zinc/22/09/36/787220936.db2.gz SZZGJKIQQZDKSU-HUUCEWRRSA-N 1 2 344.477 0.594 20 30 ECEDLO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001073797021 787220941 /nfs/dbraw/zinc/22/09/41/787220941.db2.gz SZZGJKIQQZDKSU-HUUCEWRRSA-N 1 2 344.477 0.594 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001073820353 787264662 /nfs/dbraw/zinc/26/46/62/787264662.db2.gz RKHRKBLWEUKGND-UKRRQHHQSA-N 1 2 334.420 0.518 20 30 ECEDLO CC(C)C#CC(=O)N1CCC(O)(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001074579509 787310128 /nfs/dbraw/zinc/31/01/28/787310128.db2.gz KLQXPIOPVRBLMR-UHFFFAOYSA-N 1 2 332.404 0.081 20 30 ECEDLO N#CCN1CCCO[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001073857078 787375756 /nfs/dbraw/zinc/37/57/56/787375756.db2.gz YRYFBHPDQVABQO-HNNXBMFYSA-N 1 2 340.387 0.612 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC(O)(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001074680164 787576973 /nfs/dbraw/zinc/57/69/73/787576973.db2.gz OUQWLDULRFEVSA-ZIAGYGMSSA-N 1 2 348.447 0.880 20 30 ECEDLO C=CCCCC(=O)N1CCC(O)(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001074698725 787631836 /nfs/dbraw/zinc/63/18/36/787631836.db2.gz DEYCZSZBDRVNED-UHFFFAOYSA-N 1 2 334.420 0.778 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(O)(CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001074706203 787646930 /nfs/dbraw/zinc/64/69/30/787646930.db2.gz IKTJAGKJSDICFN-KGLIPLIRSA-N 1 2 347.419 0.464 20 30 ECEDLO Cc1noc(C[N@@H+]2CCC3(CN(C(=O)c4c[nH]c(C#N)c4)C3)C2)n1 ZINC001072639913 788484012 /nfs/dbraw/zinc/48/40/12/788484012.db2.gz ZMIFKHRCGOYVBM-UHFFFAOYSA-N 1 2 326.360 0.926 20 30 ECEDLO Cc1noc(C[N@H+]2CCC3(CN(C(=O)c4c[nH]c(C#N)c4)C3)C2)n1 ZINC001072639913 788484020 /nfs/dbraw/zinc/48/40/20/788484020.db2.gz ZMIFKHRCGOYVBM-UHFFFAOYSA-N 1 2 326.360 0.926 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC001074891903 788498261 /nfs/dbraw/zinc/49/82/61/788498261.db2.gz MCDRPAAVRUXORI-UONOGXRCSA-N 1 2 334.420 0.661 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001074990748 788678170 /nfs/dbraw/zinc/67/81/70/788678170.db2.gz KNSGJAHRPFGXSU-LSDHHAIUSA-N 1 2 346.431 0.878 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1cnn(C)n1)C2 ZINC001072747162 788704161 /nfs/dbraw/zinc/70/41/61/788704161.db2.gz FSZJLDKGKFIFOI-CVEARBPZSA-N 1 2 345.447 0.831 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1cnn(C)n1)C2 ZINC001072747162 788704166 /nfs/dbraw/zinc/70/41/66/788704166.db2.gz FSZJLDKGKFIFOI-CVEARBPZSA-N 1 2 345.447 0.831 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001075081798 788869371 /nfs/dbraw/zinc/86/93/71/788869371.db2.gz NKZQXOFHADHTBR-UONOGXRCSA-N 1 2 334.420 0.661 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001075087847 788883908 /nfs/dbraw/zinc/88/39/08/788883908.db2.gz CCVMOYFGIDLRQW-HIFRSBDPSA-N 1 2 346.431 0.796 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)CSCC#N ZINC001075211346 789068866 /nfs/dbraw/zinc/06/88/66/789068866.db2.gz SFSRKNWJXNTIMD-RYUDHWBXSA-N 1 2 335.433 0.705 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC3(C2)CC[N@H+](CCS(C)(=O)=O)C3)C1 ZINC001072964271 789174402 /nfs/dbraw/zinc/17/44/02/789174402.db2.gz QAEMJVVVTZDROK-UHFFFAOYSA-N 1 2 326.462 0.922 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC3(C2)CC[N@@H+](CCS(C)(=O)=O)C3)C1 ZINC001072964271 789174404 /nfs/dbraw/zinc/17/44/04/789174404.db2.gz QAEMJVVVTZDROK-UHFFFAOYSA-N 1 2 326.462 0.922 20 30 ECEDLO C=CCn1cc(C(=O)N2CC3(C2)CC[N@H+](Cc2cnns2)C3)nn1 ZINC001073042806 789333959 /nfs/dbraw/zinc/33/39/59/789333959.db2.gz HPYIBRZKLCCHFF-UHFFFAOYSA-N 1 2 345.432 0.664 20 30 ECEDLO C=CCn1cc(C(=O)N2CC3(C2)CC[N@@H+](Cc2cnns2)C3)nn1 ZINC001073042806 789333968 /nfs/dbraw/zinc/33/39/68/789333968.db2.gz HPYIBRZKLCCHFF-UHFFFAOYSA-N 1 2 345.432 0.664 20 30 ECEDLO C#CCOCCC(=O)NC1(C)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001073129936 789494523 /nfs/dbraw/zinc/49/45/23/789494523.db2.gz MFYSDTHSELEELE-UHFFFAOYSA-N 1 2 332.404 0.420 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@@H+](CCS(C)(=O)=O)C3)cn1 ZINC001073137578 789511003 /nfs/dbraw/zinc/51/10/03/789511003.db2.gz ADJRWVXNMKGDPS-UHFFFAOYSA-N 1 2 347.440 0.255 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC3(C2)CC[N@H+](CCS(C)(=O)=O)C3)cn1 ZINC001073137578 789511016 /nfs/dbraw/zinc/51/10/16/789511016.db2.gz ADJRWVXNMKGDPS-UHFFFAOYSA-N 1 2 347.440 0.255 20 30 ECEDLO C=CCOCC(=O)NC1(C)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001073169673 789564290 /nfs/dbraw/zinc/56/42/90/789564290.db2.gz CDMDFYDJOORIHT-UHFFFAOYSA-N 1 2 334.420 0.973 20 30 ECEDLO C#CCOCCC(=O)N1CCC(CC)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001069374191 789781881 /nfs/dbraw/zinc/78/18/81/789781881.db2.gz FHJVQYGUEFVTSF-UHFFFAOYSA-N 1 2 346.431 0.880 20 30 ECEDLO C[C@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCCN1c1nccnc1C#N ZINC001069376339 789783681 /nfs/dbraw/zinc/78/36/81/789783681.db2.gz WDCAYIDHKLGVFA-GXTWGEPZSA-N 1 2 339.403 0.798 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC001073394579 789786657 /nfs/dbraw/zinc/78/66/57/789786657.db2.gz DOCVWEBXXINQOP-UKRRQHHQSA-N 1 2 346.431 0.734 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1c1ccc(C#N)nn1 ZINC001069383487 789789229 /nfs/dbraw/zinc/78/92/29/789789229.db2.gz KJCYZKJHBVQRLG-DGCLKSJQSA-N 1 2 325.376 0.788 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1c1nccnc1C#N ZINC001069415409 789811348 /nfs/dbraw/zinc/81/13/48/789811348.db2.gz PKKOBVCYSDHGAD-AAEUAGOBSA-N 1 2 325.376 0.788 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC001073472842 789876474 /nfs/dbraw/zinc/87/64/74/789876474.db2.gz OVVFNSFQXRRXMW-CYBMUJFWSA-N 1 2 334.420 0.898 20 30 ECEDLO CN(C(=O)Cc1c[nH+]cn1C)C1CC(Nc2ccc(C#N)nn2)C1 ZINC001069755498 790012038 /nfs/dbraw/zinc/01/20/38/790012038.db2.gz FLAGEKICHZUDIN-UHFFFAOYSA-N 1 2 325.376 0.726 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)C3CN(C(C)=O)C3)c2C1 ZINC001069859290 790110576 /nfs/dbraw/zinc/11/05/76/790110576.db2.gz OCISRNIHECPOGT-UHFFFAOYSA-N 1 2 331.420 0.369 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)C3CN(C(C)=O)C3)c2C1 ZINC001069859290 790110585 /nfs/dbraw/zinc/11/05/85/790110585.db2.gz OCISRNIHECPOGT-UHFFFAOYSA-N 1 2 331.420 0.369 20 30 ECEDLO C=CCN1CCn2ncc(CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)c2C1 ZINC001069865155 790121578 /nfs/dbraw/zinc/12/15/78/790121578.db2.gz XJNIGQMZYHQTFH-CQSZACIVSA-N 1 2 340.431 0.960 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]2n2ccnn2)[nH]1 ZINC001069908639 790176984 /nfs/dbraw/zinc/17/69/84/790176984.db2.gz IHBDTDIRQZARRD-IGLYHPTJSA-N 1 2 345.794 0.886 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]2n2ccnn2)[nH]1 ZINC001069908639 790176990 /nfs/dbraw/zinc/17/69/90/790176990.db2.gz IHBDTDIRQZARRD-IGLYHPTJSA-N 1 2 345.794 0.886 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2cc(C3CC3)no2)[C@@H](n2ccnn2)C1 ZINC001069946313 790225324 /nfs/dbraw/zinc/22/53/24/790225324.db2.gz PXTVUNDLJYYLBM-CVEARBPZSA-N 1 2 340.387 0.361 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2cc(C3CC3)no2)[C@@H](n2ccnn2)C1 ZINC001069946313 790225327 /nfs/dbraw/zinc/22/53/27/790225327.db2.gz PXTVUNDLJYYLBM-CVEARBPZSA-N 1 2 340.387 0.361 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc3cc[nH]c3c2)[C@@H](n2ccnn2)C1 ZINC001069954529 790236346 /nfs/dbraw/zinc/23/63/46/790236346.db2.gz HSLHVFSVDDIBSQ-CVEARBPZSA-N 1 2 335.371 0.443 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3cc[nH]c3c2)[C@@H](n2ccnn2)C1 ZINC001069954529 790236348 /nfs/dbraw/zinc/23/63/48/790236348.db2.gz HSLHVFSVDDIBSQ-CVEARBPZSA-N 1 2 335.371 0.443 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2cn3ccccc3n2)[C@@H](n2ccnn2)C1 ZINC001069958967 790240932 /nfs/dbraw/zinc/24/09/32/790240932.db2.gz VZYFBGUIKWZMKA-CVEARBPZSA-N 1 2 349.398 0.143 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2cn3ccccc3n2)[C@@H](n2ccnn2)C1 ZINC001069958967 790240938 /nfs/dbraw/zinc/24/09/38/790240938.db2.gz VZYFBGUIKWZMKA-CVEARBPZSA-N 1 2 349.398 0.143 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2[nH]c(C)cc2C)[C@@H](n2ccnn2)C1 ZINC001069960264 790242689 /nfs/dbraw/zinc/24/26/89/790242689.db2.gz MSEIFVBHZJFWPO-CABCVRRESA-N 1 2 326.404 0.902 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2[nH]c(C)cc2C)[C@@H](n2ccnn2)C1 ZINC001069960264 790242693 /nfs/dbraw/zinc/24/26/93/790242693.db2.gz MSEIFVBHZJFWPO-CABCVRRESA-N 1 2 326.404 0.902 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC2(C1)C[C@@H](NC(=O)Cn1cc[nH+]c1)CO2 ZINC001068916361 791412947 /nfs/dbraw/zinc/41/29/47/791412947.db2.gz RDQNGJSZKCKXKX-CQSZACIVSA-N 1 2 346.431 0.972 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)C[C@@H](NC(=O)CCCn1cc[nH+]c1)CO2 ZINC001068916827 791413567 /nfs/dbraw/zinc/41/35/67/791413567.db2.gz VOICTHAMWRBKOK-UONOGXRCSA-N 1 2 345.403 0.309 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)C[C@@H](NC(=O)CCCn1cc[nH+]c1)CO2 ZINC001068916830 791413583 /nfs/dbraw/zinc/41/35/83/791413583.db2.gz VOICTHAMWRBKOK-ZIAGYGMSSA-N 1 2 345.403 0.309 20 30 ECEDLO C=CC(C)(C)C(=O)N[C@@H]1COC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001068948612 791486372 /nfs/dbraw/zinc/48/63/72/791486372.db2.gz VEXMMJUUSJCMRO-ZDUSSCGKSA-N 1 2 332.404 0.581 20 30 ECEDLO C=CCCCC(=O)N[C@@H]1COC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001069000565 791568260 /nfs/dbraw/zinc/56/82/60/791568260.db2.gz HKEWRVGTJYBCKO-AWEZNQCLSA-N 1 2 332.404 0.726 20 30 ECEDLO C[C@H]1C[C@H](Nc2ccc(C#N)nn2)CN1C(=O)Cc1c[nH+]cn1C ZINC001069121999 791722381 /nfs/dbraw/zinc/72/23/81/791722381.db2.gz MLFHSFMCXMBREV-AAEUAGOBSA-N 1 2 325.376 0.726 20 30 ECEDLO N#Cc1ccc(NC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CCO2)nc1 ZINC001066680744 791975956 /nfs/dbraw/zinc/97/59/56/791975956.db2.gz NEYIURCOTSYDPQ-AWEZNQCLSA-N 1 2 326.360 0.558 20 30 ECEDLO N#Cc1nccnc1NC[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001066687515 791991274 /nfs/dbraw/zinc/99/12/74/791991274.db2.gz MLDLWWVGLBXPOR-ZDUSSCGKSA-N 1 2 341.375 0.343 20 30 ECEDLO N#Cc1nccnc1NC[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001066687515 791991282 /nfs/dbraw/zinc/99/12/82/791991282.db2.gz MLDLWWVGLBXPOR-ZDUSSCGKSA-N 1 2 341.375 0.343 20 30 ECEDLO CC[C@@H](F)C(=O)N1CC[C@@H]([NH+]2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001066701101 792028739 /nfs/dbraw/zinc/02/87/39/792028739.db2.gz PMSWUMGEGXYECD-HUUCEWRRSA-N 1 2 346.410 0.819 20 30 ECEDLO Cc1ccnc(N2CC[NH+]([C@H]3CCN(C(=O)C#CC4CC4)C3)CC2)n1 ZINC001066701413 792029338 /nfs/dbraw/zinc/02/93/38/792029338.db2.gz WZSNTYBWXCAAAO-KRWDZBQOSA-N 1 2 339.443 0.921 20 30 ECEDLO C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001067705105 792159581 /nfs/dbraw/zinc/15/95/81/792159581.db2.gz GSKIHNUTEQJPGU-KBPBESRZSA-N 1 2 331.420 0.912 20 30 ECEDLO CN(CCCN(C)C(=O)Cc1c[nH+]cn1C)C(=O)CSCC#N ZINC001066872173 792244320 /nfs/dbraw/zinc/24/43/20/792244320.db2.gz YAGIXQDQXNOCIR-UHFFFAOYSA-N 1 2 337.449 0.526 20 30 ECEDLO N#Cc1nccnc1N[C@@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001066908087 792346368 /nfs/dbraw/zinc/34/63/68/792346368.db2.gz BFMOIDZGDZAIOO-INIZCTEOSA-N 1 2 341.375 0.010 20 30 ECEDLO C[C@@H]1CCN(c2nccnc2C#N)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067962852 792512425 /nfs/dbraw/zinc/51/24/25/792512425.db2.gz GNHKYAAUVVWSBI-DOMZBBRYSA-N 1 2 339.403 0.655 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)CC1(C)C ZINC001068118024 792702731 /nfs/dbraw/zinc/70/27/31/792702731.db2.gz OAIJOFWGRHNUCT-CYBMUJFWSA-N 1 2 339.403 0.954 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1Nc1ccc(C#N)nn1 ZINC001067217153 792831437 /nfs/dbraw/zinc/83/14/37/792831437.db2.gz FMJAIBXBJOGKJR-FZMZJTMJSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1Nc1ccc(C#N)nn1 ZINC001067217153 792831450 /nfs/dbraw/zinc/83/14/50/792831450.db2.gz FMJAIBXBJOGKJR-FZMZJTMJSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@@H](Nc1cncc(C#N)n1)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001068235832 792892727 /nfs/dbraw/zinc/89/27/27/792892727.db2.gz AZJFFHWLESUNDL-YPMHNXCESA-N 1 2 341.375 0.342 20 30 ECEDLO C[C@H]1C[C@H](CNc2cncc(C#N)n2)CN1C(=O)Cn1cc[nH+]c1 ZINC001068335665 793069931 /nfs/dbraw/zinc/06/99/31/793069931.db2.gz NXJVNSVXVUMAEG-QWHCGFSZSA-N 1 2 325.376 0.894 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)n1 ZINC001067403569 793105781 /nfs/dbraw/zinc/10/57/81/793105781.db2.gz OYEZZOQZJHTVCX-WFASDCNBSA-N 1 2 339.403 0.884 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)n1 ZINC001067403566 793105800 /nfs/dbraw/zinc/10/58/00/793105800.db2.gz OYEZZOQZJHTVCX-DOMZBBRYSA-N 1 2 339.403 0.884 20 30 ECEDLO C[C@@H]1CN(c2cncc(C#N)n2)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067405931 793108833 /nfs/dbraw/zinc/10/88/33/793108833.db2.gz OTDUKCDELQGHDW-DOMZBBRYSA-N 1 2 339.403 0.655 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CCOC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001068398558 793214362 /nfs/dbraw/zinc/21/43/62/793214362.db2.gz WHPPFECWYCLORO-UHFFFAOYSA-N 1 2 346.431 0.994 20 30 ECEDLO C#CCNC(=O)[C@H](C)N1CC[NH+](CCN(C)C(=O)/C=C(/C)CC)CC1 ZINC001267572177 837807596 /nfs/dbraw/zinc/80/75/96/837807596.db2.gz GNQOAZMKTFODGA-BHWVZIDZSA-N 1 2 348.491 0.557 20 30 ECEDLO C#CCNC(=O)[C@@H](C)N1CC[NH+](CCN(C)C(=O)/C=C(\C)CC)CC1 ZINC001267572180 837808142 /nfs/dbraw/zinc/80/81/42/837808142.db2.gz GNQOAZMKTFODGA-INFVRCAFSA-N 1 2 348.491 0.557 20 30 ECEDLO C=CCN1CC[NH+](CCN(C)C(=O)CCn2ccccc2=O)CC1 ZINC001267573027 837812553 /nfs/dbraw/zinc/81/25/53/837812553.db2.gz GHGVLIZYNHJAGR-UHFFFAOYSA-N 1 2 332.448 0.500 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)c1cccc2cn[nH]c21 ZINC001267573108 837813557 /nfs/dbraw/zinc/81/35/57/837813557.db2.gz JFVICLOGASFIIM-UHFFFAOYSA-N 1 2 326.404 0.776 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)c1cccc2c[nH]nc21 ZINC001267573108 837813572 /nfs/dbraw/zinc/81/35/72/837813572.db2.gz JFVICLOGASFIIM-UHFFFAOYSA-N 1 2 326.404 0.776 20 30 ECEDLO C=CCN1CC[NH+](CCN(C)C(=O)c2ncnc3[nH]ccc32)CC1 ZINC001267573478 837816293 /nfs/dbraw/zinc/81/62/93/837816293.db2.gz RROXRKYYXMLQMU-UHFFFAOYSA-N 1 2 328.420 0.785 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N(C)CC[NH+]1CCN(CC(=O)NCC)CC1 ZINC001267574668 837822908 /nfs/dbraw/zinc/82/29/08/837822908.db2.gz PCCDKINHIQOTPM-SFHVURJKSA-N 1 2 338.496 0.801 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NCCC)C2)cn1 ZINC001266245621 835550788 /nfs/dbraw/zinc/55/07/88/835550788.db2.gz DIONRBFINDLXFL-INIZCTEOSA-N 1 2 328.416 0.783 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=O)NCCC)C2)cn1 ZINC001266245621 835550795 /nfs/dbraw/zinc/55/07/95/835550795.db2.gz DIONRBFINDLXFL-INIZCTEOSA-N 1 2 328.416 0.783 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCNC(=O)[C@]23C[C@H]2COC3)c1 ZINC001266277427 835602895 /nfs/dbraw/zinc/60/28/95/835602895.db2.gz ZVCZZGVXLZWVQG-KXBFYZLASA-N 1 2 341.411 0.691 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCNC(=O)[C@]23C[C@H]2COC3)c1 ZINC001266277427 835602898 /nfs/dbraw/zinc/60/28/98/835602898.db2.gz ZVCZZGVXLZWVQG-KXBFYZLASA-N 1 2 341.411 0.691 20 30 ECEDLO C[N@H+](CCNC(=O)c1scnc1C(F)(F)F)CC(=O)NCC#N ZINC001266282525 835611585 /nfs/dbraw/zinc/61/15/85/835611585.db2.gz GALOKSSGZNDQNB-UHFFFAOYSA-N 1 2 349.338 0.463 20 30 ECEDLO C[N@@H+](CCNC(=O)c1scnc1C(F)(F)F)CC(=O)NCC#N ZINC001266282525 835611587 /nfs/dbraw/zinc/61/15/87/835611587.db2.gz GALOKSSGZNDQNB-UHFFFAOYSA-N 1 2 349.338 0.463 20 30 ECEDLO CC#CCN1CC[NH+](CCNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)CC1 ZINC001266285829 835621459 /nfs/dbraw/zinc/62/14/59/835621459.db2.gz OOYMLXQNLLPPAQ-QGZVFWFLSA-N 1 2 348.491 0.248 20 30 ECEDLO CC#CCN1CC[NH+](CCNC(=O)C[C@H]2CCOC[C@@H]2OC)CC1 ZINC001266285952 835621874 /nfs/dbraw/zinc/62/18/74/835621874.db2.gz SSNDLMFWFRQIRE-SJORKVTESA-N 1 2 337.464 0.185 20 30 ECEDLO N#CCN1CC[NH+](CCNC(=O)[C@@H]2COC[C@H]2c2ccccc2)CC1 ZINC001266288466 835632101 /nfs/dbraw/zinc/63/21/01/835632101.db2.gz XUZYXOGVEJDSNE-ZWKOTPCHSA-N 1 2 342.443 0.674 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)Cc1noc2ccccc12 ZINC001266295105 835642067 /nfs/dbraw/zinc/64/20/67/835642067.db2.gz AAIDAFZDZUKOHA-UHFFFAOYSA-N 1 2 328.372 0.168 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)Cc1noc2ccccc12 ZINC001266295105 835642068 /nfs/dbraw/zinc/64/20/68/835642068.db2.gz AAIDAFZDZUKOHA-UHFFFAOYSA-N 1 2 328.372 0.168 20 30 ECEDLO COCC#CCN1CC[NH+](CCNC(=O)C[C@@H]2CCCOC2)CC1 ZINC001266296653 835644665 /nfs/dbraw/zinc/64/46/65/835644665.db2.gz CBROGJIGILRTQY-KRWDZBQOSA-N 1 2 337.464 0.187 20 30 ECEDLO COCC#CC[NH+]1CCN(CCNC(=O)C[C@@H]2CCCOC2)CC1 ZINC001266296653 835644668 /nfs/dbraw/zinc/64/46/68/835644668.db2.gz CBROGJIGILRTQY-KRWDZBQOSA-N 1 2 337.464 0.187 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)CCc1ccc2[nH]ccc2c1 ZINC001266298953 835655241 /nfs/dbraw/zinc/65/52/41/835655241.db2.gz SMAKQOSOGFMQDM-UHFFFAOYSA-N 1 2 340.427 0.898 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)CCc1ccc2[nH]ccc2c1 ZINC001266298953 835655245 /nfs/dbraw/zinc/65/52/45/835655245.db2.gz SMAKQOSOGFMQDM-UHFFFAOYSA-N 1 2 340.427 0.898 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC001266306284 835670160 /nfs/dbraw/zinc/67/01/60/835670160.db2.gz KVPHJLPALFFYMW-UHFFFAOYSA-N 1 2 342.403 0.436 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC001266306284 835670163 /nfs/dbraw/zinc/67/01/63/835670163.db2.gz KVPHJLPALFFYMW-UHFFFAOYSA-N 1 2 342.403 0.436 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CC(F)(F)C2)C1 ZINC001266314948 835681964 /nfs/dbraw/zinc/68/19/64/835681964.db2.gz MWFLASLFUHHEPT-LLVKDONJSA-N 1 2 344.362 0.234 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CC(F)(F)C2)C1 ZINC001266314948 835681967 /nfs/dbraw/zinc/68/19/67/835681967.db2.gz MWFLASLFUHHEPT-LLVKDONJSA-N 1 2 344.362 0.234 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC001266344693 835733727 /nfs/dbraw/zinc/73/37/27/835733727.db2.gz KXICABCXUMTJRD-LBPRGKRZSA-N 1 2 325.372 0.612 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC001266344693 835733733 /nfs/dbraw/zinc/73/37/33/835733733.db2.gz KXICABCXUMTJRD-LBPRGKRZSA-N 1 2 325.372 0.612 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@@H+](CCCS(C)(=O)=O)C1 ZINC001266355188 835758437 /nfs/dbraw/zinc/75/84/37/835758437.db2.gz CJTVZXVDJKLLFM-QGZVFWFLSA-N 1 2 348.468 0.836 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@H+](CCCS(C)(=O)=O)C1 ZINC001266355188 835758445 /nfs/dbraw/zinc/75/84/45/835758445.db2.gz CJTVZXVDJKLLFM-QGZVFWFLSA-N 1 2 348.468 0.836 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@H]1CCC[N@H+]1Cc1cncc(OC)n1 ZINC001266461673 835863919 /nfs/dbraw/zinc/86/39/19/835863919.db2.gz UEIKFBYCIUVVGK-RHSMWYFYSA-N 1 2 334.420 0.893 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@H]1CCC[N@@H+]1Cc1cncc(OC)n1 ZINC001266461673 835863926 /nfs/dbraw/zinc/86/39/26/835863926.db2.gz UEIKFBYCIUVVGK-RHSMWYFYSA-N 1 2 334.420 0.893 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1Cc2ccccc2O1 ZINC001266471558 835875133 /nfs/dbraw/zinc/87/51/33/835875133.db2.gz RBBJXMCVRPNJFN-GOEBONIOSA-N 1 2 342.399 0.210 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1Cc2ccccc2O1 ZINC001266471558 835875136 /nfs/dbraw/zinc/87/51/36/835875136.db2.gz RBBJXMCVRPNJFN-GOEBONIOSA-N 1 2 342.399 0.210 20 30 ECEDLO CCC[N@@H+](CC#CCOC)CCNC(=O)C(C)(C)S(C)(=O)=O ZINC001266572972 836003589 /nfs/dbraw/zinc/00/35/89/836003589.db2.gz CTDJDFITTGRPGO-UHFFFAOYSA-N 1 2 332.466 0.288 20 30 ECEDLO CCC[N@H+](CC#CCOC)CCNC(=O)C(C)(C)S(C)(=O)=O ZINC001266572972 836003599 /nfs/dbraw/zinc/00/35/99/836003599.db2.gz CTDJDFITTGRPGO-UHFFFAOYSA-N 1 2 332.466 0.288 20 30 ECEDLO C=CCN1CC[C@H](N(CCNC(=O)Cn2cc[nH+]c2C)C2CC2)C1=O ZINC001266619597 836056080 /nfs/dbraw/zinc/05/60/80/836056080.db2.gz UPZUFUSWODOSOU-INIZCTEOSA-N 1 2 345.447 0.559 20 30 ECEDLO CC#CCCCC(=O)N(C)CC[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001266808597 836331498 /nfs/dbraw/zinc/33/14/98/836331498.db2.gz KXPCKSALKFTUDN-UHFFFAOYSA-N 1 2 329.404 0.764 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)c1nccn1CC ZINC001266839943 836366374 /nfs/dbraw/zinc/36/63/74/836366374.db2.gz LUMPXMAQBBAXQA-AWEZNQCLSA-N 1 2 333.436 0.790 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1nccn1CC ZINC001266839943 836366378 /nfs/dbraw/zinc/36/63/78/836366378.db2.gz LUMPXMAQBBAXQA-AWEZNQCLSA-N 1 2 333.436 0.790 20 30 ECEDLO C=CCCn1cc(C(=O)N(C)CC[NH2+][C@@H](C)c2nc(C)no2)nn1 ZINC001266869527 836414766 /nfs/dbraw/zinc/41/47/66/836414766.db2.gz BMCSBDDRDVFQLC-NSHDSACASA-N 1 2 333.396 0.968 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)Cc1noc2ccccc12 ZINC001267206008 836985835 /nfs/dbraw/zinc/98/58/35/836985835.db2.gz JOAVMYHITBSPRK-UHFFFAOYSA-N 1 2 330.388 0.721 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)Cc1noc2ccccc12 ZINC001267206008 836985842 /nfs/dbraw/zinc/98/58/42/836985842.db2.gz JOAVMYHITBSPRK-UHFFFAOYSA-N 1 2 330.388 0.721 20 30 ECEDLO C#Cc1ccc(C(=O)NCC[N@@H+](C)Cc2cc(=O)c(OC)co2)nc1 ZINC001267226353 837024459 /nfs/dbraw/zinc/02/44/59/837024459.db2.gz GEAWRIUCNJZMHN-UHFFFAOYSA-N 1 2 341.367 0.887 20 30 ECEDLO C#Cc1ccc(C(=O)NCC[N@H+](C)Cc2cc(=O)c(OC)co2)nc1 ZINC001267226353 837024471 /nfs/dbraw/zinc/02/44/71/837024471.db2.gz GEAWRIUCNJZMHN-UHFFFAOYSA-N 1 2 341.367 0.887 20 30 ECEDLO CCn1nc(C)cc1C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001267276213 837120183 /nfs/dbraw/zinc/12/01/83/837120183.db2.gz NOEPUQLTDJXKHT-CYBMUJFWSA-N 1 2 332.408 0.045 20 30 ECEDLO CCn1nc(C)cc1C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001267276213 837120188 /nfs/dbraw/zinc/12/01/88/837120188.db2.gz NOEPUQLTDJXKHT-CYBMUJFWSA-N 1 2 332.408 0.045 20 30 ECEDLO C#CCCCC(=O)N(C)CC[NH+]1CCN(CCn2cccn2)CC1 ZINC001267606145 837944424 /nfs/dbraw/zinc/94/44/24/837944424.db2.gz OUWBPNFTLOVGRI-UHFFFAOYSA-N 1 2 331.464 0.763 20 30 ECEDLO C=CCN1CC[NH+](CCN(C)C(=O)[C@H]2CCc3ncncc3C2)CC1 ZINC001267607262 837949605 /nfs/dbraw/zinc/94/96/05/837949605.db2.gz BOHLWKWDUQPBCW-INIZCTEOSA-N 1 2 343.475 0.844 20 30 ECEDLO C=CCN1CC[NH+](CCN(C)C(=O)C[C@@H]2CCOC[C@@H]2OC)CC1 ZINC001267607373 837949691 /nfs/dbraw/zinc/94/96/91/837949691.db2.gz GZUZSFZUYSTARA-IRXDYDNUSA-N 1 2 339.480 0.690 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)Cn2ccc(C)n2)C1 ZINC001267613508 837986834 /nfs/dbraw/zinc/98/68/34/837986834.db2.gz KXDFZJWRCBZCLN-GDBMZVCRSA-N 1 2 345.447 0.158 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)Cn2ccc(C)n2)C1 ZINC001267613508 837986840 /nfs/dbraw/zinc/98/68/40/837986840.db2.gz KXDFZJWRCBZCLN-GDBMZVCRSA-N 1 2 345.447 0.158 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3nn[nH]c32)C1 ZINC001267629978 838087017 /nfs/dbraw/zinc/08/70/17/838087017.db2.gz SYURWMZYCLCIBO-STQMWFEESA-N 1 2 346.435 0.107 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3nn[nH]c32)C1 ZINC001267629978 838087028 /nfs/dbraw/zinc/08/70/28/838087028.db2.gz SYURWMZYCLCIBO-STQMWFEESA-N 1 2 346.435 0.107 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH+]1CC(CNC(=O)c2ccoc2CC)C1 ZINC001267680265 838238508 /nfs/dbraw/zinc/23/85/08/838238508.db2.gz HTWLANPHTXBGQN-UHFFFAOYSA-N 1 2 348.403 0.515 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2cc(C(C)C)on2)C1 ZINC001267686933 838250676 /nfs/dbraw/zinc/25/06/76/838250676.db2.gz UXKWSHCGUHFSOZ-GFCCVEGCSA-N 1 2 332.404 0.598 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)c2ccc(C)c(F)c2F)C1 ZINC001267693884 838275484 /nfs/dbraw/zinc/27/54/84/838275484.db2.gz UKFWWJICDUNLNE-UHFFFAOYSA-N 1 2 335.354 0.684 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C[C@H](C)n2cccn2)C1 ZINC001267695932 838284177 /nfs/dbraw/zinc/28/41/77/838284177.db2.gz MNRUZNQOAMJZRW-UONOGXRCSA-N 1 2 331.420 0.020 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2cnn3ccc(C)nc23)C1 ZINC001267696103 838284684 /nfs/dbraw/zinc/28/46/84/838284684.db2.gz OJEBALLYZMDGMB-UHFFFAOYSA-N 1 2 342.403 0.002 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001267701190 838299595 /nfs/dbraw/zinc/29/95/95/838299595.db2.gz XZHRZTQRJPWGBG-AWEZNQCLSA-N 1 2 345.447 0.572 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#CCOC ZINC001267713671 838336924 /nfs/dbraw/zinc/33/69/24/838336924.db2.gz SHUACYUCPOCKIW-ULQDDVLXSA-N 1 2 333.432 0.392 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#CCOC ZINC001267713671 838336932 /nfs/dbraw/zinc/33/69/32/838336932.db2.gz SHUACYUCPOCKIW-ULQDDVLXSA-N 1 2 333.432 0.392 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)on2)C1 ZINC001267737092 838432151 /nfs/dbraw/zinc/43/21/51/838432151.db2.gz UWHSTHDZUYFHNV-CQSZACIVSA-N 1 2 332.404 0.988 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)on2)C1 ZINC001267737092 838432156 /nfs/dbraw/zinc/43/21/56/838432156.db2.gz UWHSTHDZUYFHNV-CQSZACIVSA-N 1 2 332.404 0.988 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCOC(C)C)C1 ZINC001267737250 838432486 /nfs/dbraw/zinc/43/24/86/838432486.db2.gz CCNVTBXPDDAJOU-CYBMUJFWSA-N 1 2 340.424 0.004 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCOC(C)C)C1 ZINC001267737250 838432490 /nfs/dbraw/zinc/43/24/90/838432490.db2.gz CCNVTBXPDDAJOU-CYBMUJFWSA-N 1 2 340.424 0.004 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccnn2C2CCC2)C1 ZINC001267742025 838443342 /nfs/dbraw/zinc/44/33/42/838443342.db2.gz XLBJGQRJLSNIQJ-UONOGXRCSA-N 1 2 343.431 0.550 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccnn2C2CCC2)C1 ZINC001267742025 838443348 /nfs/dbraw/zinc/44/33/48/838443348.db2.gz XLBJGQRJLSNIQJ-UONOGXRCSA-N 1 2 343.431 0.550 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ncc(OC)cc2F)C1 ZINC001267743512 838445219 /nfs/dbraw/zinc/44/52/19/838445219.db2.gz WDHUPTWKBSFXOM-NWDGAFQWSA-N 1 2 348.378 0.171 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ncc(OC)cc2F)C1 ZINC001267743512 838445221 /nfs/dbraw/zinc/44/52/21/838445221.db2.gz WDHUPTWKBSFXOM-NWDGAFQWSA-N 1 2 348.378 0.171 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3[nH]ccc3n2)C1 ZINC001267745250 838450018 /nfs/dbraw/zinc/45/00/18/838450018.db2.gz XPMAQCYHUNUBDX-GFCCVEGCSA-N 1 2 327.388 0.669 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc3[nH]ccc3n2)C1 ZINC001267745250 838450022 /nfs/dbraw/zinc/45/00/22/838450022.db2.gz XPMAQCYHUNUBDX-GFCCVEGCSA-N 1 2 327.388 0.669 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001267750268 838469299 /nfs/dbraw/zinc/46/92/99/838469299.db2.gz XQDMVOQXKMRVRL-GDBMZVCRSA-N 1 2 333.436 0.582 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001267750268 838469304 /nfs/dbraw/zinc/46/93/04/838469304.db2.gz XQDMVOQXKMRVRL-GDBMZVCRSA-N 1 2 333.436 0.582 20 30 ECEDLO C=CCCC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC001267758935 838484694 /nfs/dbraw/zinc/48/46/94/838484694.db2.gz MTJIPJGKVDCWBY-KBPBESRZSA-N 1 2 338.452 0.078 20 30 ECEDLO C=CCCC(=O)N(C)[C@H]1CC[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC001267758935 838484697 /nfs/dbraw/zinc/48/46/97/838484697.db2.gz MTJIPJGKVDCWBY-KBPBESRZSA-N 1 2 338.452 0.078 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccn[nH]2)C1 ZINC001267760618 838487777 /nfs/dbraw/zinc/48/77/77/838487777.db2.gz VWENMSHOIYJKCI-MRXNPFEDSA-N 1 2 345.447 0.686 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccn[nH]2)C1 ZINC001267760618 838487780 /nfs/dbraw/zinc/48/77/80/838487780.db2.gz VWENMSHOIYJKCI-MRXNPFEDSA-N 1 2 345.447 0.686 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc(C3CC3)o2)C1 ZINC001267766215 838499220 /nfs/dbraw/zinc/49/92/20/838499220.db2.gz FQBKNEBFVLWUKE-GXTWGEPZSA-N 1 2 344.415 0.836 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cnc(C3CC3)o2)C1 ZINC001267766215 838499221 /nfs/dbraw/zinc/49/92/21/838499221.db2.gz FQBKNEBFVLWUKE-GXTWGEPZSA-N 1 2 344.415 0.836 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(C(C)C)on2)C1 ZINC001267769297 838514787 /nfs/dbraw/zinc/51/47/87/838514787.db2.gz WPLAAFSRMAWTJA-ZDUSSCGKSA-N 1 2 332.404 0.694 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C(C)C)on2)C1 ZINC001267769297 838514790 /nfs/dbraw/zinc/51/47/90/838514790.db2.gz WPLAAFSRMAWTJA-ZDUSSCGKSA-N 1 2 332.404 0.694 20 30 ECEDLO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C(N)=O)s2)C1 ZINC001267774594 838537637 /nfs/dbraw/zinc/53/76/37/838537637.db2.gz XRTVQEGLSZZCMA-GFCCVEGCSA-N 1 2 335.429 0.643 20 30 ECEDLO COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C(N)=O)s2)C1 ZINC001267774594 838537640 /nfs/dbraw/zinc/53/76/40/838537640.db2.gz XRTVQEGLSZZCMA-GFCCVEGCSA-N 1 2 335.429 0.643 20 30 ECEDLO Cc1ccc(CC(=O)N(C)[C@H]2CC[N@H+](CC(=O)NCC#N)C2)cn1 ZINC001267777696 838545125 /nfs/dbraw/zinc/54/51/25/838545125.db2.gz QKAXWERQNGZSSV-HNNXBMFYSA-N 1 2 329.404 0.105 20 30 ECEDLO Cc1ccc(CC(=O)N(C)[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)cn1 ZINC001267777696 838545128 /nfs/dbraw/zinc/54/51/28/838545128.db2.gz QKAXWERQNGZSSV-HNNXBMFYSA-N 1 2 329.404 0.105 20 30 ECEDLO C#Cc1cncc(C(=O)N(CC)[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)c1 ZINC001267789007 838569696 /nfs/dbraw/zinc/56/96/96/838569696.db2.gz DJHNMUGQNLAYDC-MRXNPFEDSA-N 1 2 339.399 0.239 20 30 ECEDLO C#Cc1cncc(C(=O)N(CC)[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)c1 ZINC001267789007 838569702 /nfs/dbraw/zinc/56/97/02/838569702.db2.gz DJHNMUGQNLAYDC-MRXNPFEDSA-N 1 2 339.399 0.239 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001267793396 838574343 /nfs/dbraw/zinc/57/43/43/838574343.db2.gz HSHAHGLECMOSCP-RYUDHWBXSA-N 1 2 327.812 0.715 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001267793396 838574351 /nfs/dbraw/zinc/57/43/51/838574351.db2.gz HSHAHGLECMOSCP-RYUDHWBXSA-N 1 2 327.812 0.715 20 30 ECEDLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CSCC#N)C1 ZINC001267910160 838778877 /nfs/dbraw/zinc/77/88/77/838778877.db2.gz SFSUNVOCZVUZTM-UONOGXRCSA-N 1 2 340.493 0.984 20 30 ECEDLO CC(C)[C@H](C)NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CSCC#N)C1 ZINC001267910160 838778883 /nfs/dbraw/zinc/77/88/83/838778883.db2.gz SFSUNVOCZVUZTM-UONOGXRCSA-N 1 2 340.493 0.984 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)ncn2)C1 ZINC001267924814 838801865 /nfs/dbraw/zinc/80/18/65/838801865.db2.gz JMGPDDHGTKBGSG-UONOGXRCSA-N 1 2 331.420 0.670 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cc(C)ncn2)C1 ZINC001267924814 838801881 /nfs/dbraw/zinc/80/18/81/838801881.db2.gz JMGPDDHGTKBGSG-UONOGXRCSA-N 1 2 331.420 0.670 20 30 ECEDLO N#Cc1ccc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)o1 ZINC000428127165 210245957 /nfs/dbraw/zinc/24/59/57/210245957.db2.gz FFNRYSSGSWGONR-UHFFFAOYSA-N 1 2 326.360 0.493 20 30 ECEDLO C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000425284042 210031932 /nfs/dbraw/zinc/03/19/32/210031932.db2.gz CZXFBMDNGDZIAY-DZGCQCFKSA-N 1 2 333.388 0.135 20 30 ECEDLO N#Cc1cc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)ccn1 ZINC000193250030 240078319 /nfs/dbraw/zinc/07/83/19/240078319.db2.gz OJRLCUCCUOJSDJ-UHFFFAOYSA-N 1 2 341.415 0.724 20 30 ECEDLO N#Cc1cc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)ccn1 ZINC000193250030 240078329 /nfs/dbraw/zinc/07/83/29/240078329.db2.gz OJRLCUCCUOJSDJ-UHFFFAOYSA-N 1 2 341.415 0.724 20 30 ECEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246075147 243190586 /nfs/dbraw/zinc/19/05/86/243190586.db2.gz FGQUHCHJFJLNRA-KBPBESRZSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246075147 243190598 /nfs/dbraw/zinc/19/05/98/243190598.db2.gz FGQUHCHJFJLNRA-KBPBESRZSA-N 1 2 337.445 0.942 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1cccc(C#N)c1 ZINC000083699978 217551680 /nfs/dbraw/zinc/55/16/80/217551680.db2.gz IDKYPRYJUBJMCC-INIZCTEOSA-N 1 2 332.404 0.393 20 30 ECEDLO C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000266568567 248364319 /nfs/dbraw/zinc/36/43/19/248364319.db2.gz RASUSCNSPNYZKO-UHFFFAOYSA-N 1 2 333.363 0.940 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000337093728 285052551 /nfs/dbraw/zinc/05/25/51/285052551.db2.gz NXGCQHOJYWLZMG-HZSPNIEDSA-N 1 2 332.470 0.412 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C)CC1 ZINC000282105284 254553519 /nfs/dbraw/zinc/55/35/19/254553519.db2.gz AEBSCENYIUQVBC-UHFFFAOYSA-N 1 2 349.402 0.213 20 30 ECEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@H]3CCCOC3)ccn2)CC1 ZINC000329296232 254603505 /nfs/dbraw/zinc/60/35/05/254603505.db2.gz STKINYBBHHJQAV-AWEZNQCLSA-N 1 2 347.419 0.783 20 30 ECEDLO Cc1nccc(CNC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)n1 ZINC000329966306 254623389 /nfs/dbraw/zinc/62/33/89/254623389.db2.gz RSHXOAAPPNMRTD-AWEZNQCLSA-N 1 2 329.408 0.921 20 30 ECEDLO N#C[C@H]1CN(S(=O)(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)CCO1 ZINC000336948519 254661610 /nfs/dbraw/zinc/66/16/10/254661610.db2.gz QOXFKJYQMFLRER-AWEZNQCLSA-N 1 2 347.400 0.635 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000346538734 254697852 /nfs/dbraw/zinc/69/78/52/254697852.db2.gz KHEZJZSSUHNIGU-GFCCVEGCSA-N 1 2 332.383 0.689 20 30 ECEDLO CC#CCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000358579821 254730407 /nfs/dbraw/zinc/73/04/07/254730407.db2.gz HPIXJPAWEDVYBK-UHFFFAOYSA-N 1 2 329.404 0.443 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1COC(=O)NCC ZINC000495813026 255045969 /nfs/dbraw/zinc/04/59/69/255045969.db2.gz DMOMGZXTEYOWKU-LBPRGKRZSA-N 1 2 326.397 0.599 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1COC(=O)NCC ZINC000495813026 255045970 /nfs/dbraw/zinc/04/59/70/255045970.db2.gz DMOMGZXTEYOWKU-LBPRGKRZSA-N 1 2 326.397 0.599 20 30 ECEDLO C[C@H](C#N)CNC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496140593 255074591 /nfs/dbraw/zinc/07/45/91/255074591.db2.gz LMXRRILYTGVSOD-CHWSQXEVSA-N 1 2 339.440 0.996 20 30 ECEDLO C[C@H](C#N)CNC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496140593 255074592 /nfs/dbraw/zinc/07/45/92/255074592.db2.gz LMXRRILYTGVSOD-CHWSQXEVSA-N 1 2 339.440 0.996 20 30 ECEDLO C[C@@H]1OC(=O)N[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000496757899 255127681 /nfs/dbraw/zinc/12/76/81/255127681.db2.gz MEGLZXZZWFXRHC-SWLSCSKDSA-N 1 2 328.372 0.699 20 30 ECEDLO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2nccn2C)ccc1C#N ZINC000262380655 165341756 /nfs/dbraw/zinc/34/17/56/165341756.db2.gz XTQJQWONCGTMPJ-HNNXBMFYSA-N 1 2 345.428 0.935 20 30 ECEDLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000123279061 222248302 /nfs/dbraw/zinc/24/83/02/222248302.db2.gz DQVRQDWSOGUSIX-AWEZNQCLSA-N 1 2 341.408 0.775 20 30 ECEDLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2cc(C#N)ccc2C)CC1 ZINC000123308525 222252614 /nfs/dbraw/zinc/25/26/14/222252614.db2.gz MEKRQOUFQMIAEY-OAHLLOKOSA-N 1 2 337.445 0.944 20 30 ECEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cnc(C#N)cn2)CC1 ZINC000123762045 222328721 /nfs/dbraw/zinc/32/87/21/222328721.db2.gz JDBOMCFNGCXRCW-ZDUSSCGKSA-N 1 2 328.420 0.918 20 30 ECEDLO COC(=O)CN(CC[NH+]1CCOCC1)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000271702635 263324634 /nfs/dbraw/zinc/32/46/34/263324634.db2.gz DDSYJIQGBLZMCB-UHFFFAOYSA-N 1 2 348.359 0.778 20 30 ECEDLO CC(C)NC(=O)C[NH+]1CCN(c2nc3ccccn3c2C#N)CC1 ZINC000272730906 263366871 /nfs/dbraw/zinc/36/68/71/263366871.db2.gz AFYUKMYDYQQQIW-UHFFFAOYSA-N 1 2 326.404 0.853 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](CCN3C(=O)CNC3=O)CC2)c(Cl)c1 ZINC000277744861 263798149 /nfs/dbraw/zinc/79/81/49/263798149.db2.gz LCTKIXKDZCOXCJ-UHFFFAOYSA-N 1 2 347.806 0.885 20 30 ECEDLO N#Cc1ncn(CCNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000345009979 270006453 /nfs/dbraw/zinc/00/64/53/270006453.db2.gz IROODWDKWVASPK-UHFFFAOYSA-N 1 2 336.359 0.835 20 30 ECEDLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)Nc3cccc(C#N)c3)CCN2C1=O ZINC000369442801 266142070 /nfs/dbraw/zinc/14/20/70/266142070.db2.gz ZRASZGAJQIUIIO-CQSZACIVSA-N 1 2 341.371 0.465 20 30 ECEDLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)Nc3cccc(C#N)c3)CCN2C1=O ZINC000369442801 266142072 /nfs/dbraw/zinc/14/20/72/266142072.db2.gz ZRASZGAJQIUIIO-CQSZACIVSA-N 1 2 341.371 0.465 20 30 ECEDLO CCOC(=O)C1(O)CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000348540490 266256342 /nfs/dbraw/zinc/25/63/42/266256342.db2.gz HZOYRMGBVLHCRJ-UHFFFAOYSA-N 1 2 345.399 0.564 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC[N@@H+]1CCO ZINC000359989358 267057208 /nfs/dbraw/zinc/05/72/08/267057208.db2.gz XLCVYHIGBNHQMH-GFCCVEGCSA-N 1 2 341.408 0.526 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC[N@H+]1CCO ZINC000359989358 267057212 /nfs/dbraw/zinc/05/72/12/267057212.db2.gz XLCVYHIGBNHQMH-GFCCVEGCSA-N 1 2 341.408 0.526 20 30 ECEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCc1cccc(C#N)c1 ZINC000340151262 267069697 /nfs/dbraw/zinc/06/96/97/267069697.db2.gz SYOZOUCDFIOVKF-CYBMUJFWSA-N 1 2 330.388 0.011 20 30 ECEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NCc1cccc(C#N)c1 ZINC000340151262 267069700 /nfs/dbraw/zinc/06/97/00/267069700.db2.gz SYOZOUCDFIOVKF-CYBMUJFWSA-N 1 2 330.388 0.011 20 30 ECEDLO C[C@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)[NH+]1CCOCC1 ZINC000332537711 267126506 /nfs/dbraw/zinc/12/65/06/267126506.db2.gz JYIFNUSHDBMECC-CQSZACIVSA-N 1 2 329.404 0.323 20 30 ECEDLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000332465887 267128917 /nfs/dbraw/zinc/12/89/17/267128917.db2.gz LERBRFSBGNQZNV-OAHLLOKOSA-N 1 2 345.447 0.262 20 30 ECEDLO C[C@H](C(=O)N1CCOCC1)N1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000332465887 267128920 /nfs/dbraw/zinc/12/89/20/267128920.db2.gz LERBRFSBGNQZNV-OAHLLOKOSA-N 1 2 345.447 0.262 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)nn1 ZINC000301851336 268117045 /nfs/dbraw/zinc/11/70/45/268117045.db2.gz XAVIYBCGLKUMCL-UHFFFAOYSA-N 1 2 328.420 0.873 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@H](S(N)(=O)=O)C3)C2=O)cc1 ZINC000331696879 268124125 /nfs/dbraw/zinc/12/41/25/268124125.db2.gz UYMIFUIAMQTHEZ-LSDHHAIUSA-N 1 2 348.428 0.416 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@H](S(N)(=O)=O)C3)C2=O)cc1 ZINC000331696879 268124127 /nfs/dbraw/zinc/12/41/27/268124127.db2.gz UYMIFUIAMQTHEZ-LSDHHAIUSA-N 1 2 348.428 0.416 20 30 ECEDLO N#Cc1cc(N2CC[NH+](CC(=O)NCc3ccccc3)CC2)ncn1 ZINC000526270081 268184468 /nfs/dbraw/zinc/18/44/68/268184468.db2.gz CWTAXTIIQFXBBB-UHFFFAOYSA-N 1 2 336.399 0.787 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](N3CCCC3=O)C2)nc1 ZINC000289931041 268188803 /nfs/dbraw/zinc/18/88/03/268188803.db2.gz OGZLDZKQWBXQGS-CQSZACIVSA-N 1 2 348.428 0.424 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](N3CCCC3=O)C2)nc1 ZINC000289931041 268188806 /nfs/dbraw/zinc/18/88/06/268188806.db2.gz OGZLDZKQWBXQGS-CQSZACIVSA-N 1 2 348.428 0.424 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)s1 ZINC000333220118 268193514 /nfs/dbraw/zinc/19/35/14/268193514.db2.gz DNBNYKJZXVSQAZ-GFCCVEGCSA-N 1 2 341.458 0.963 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cn1 ZINC000378600066 268193879 /nfs/dbraw/zinc/19/38/79/268193879.db2.gz PDCVHILCENAWQO-LSDHHAIUSA-N 1 2 336.417 0.173 20 30 ECEDLO N#Cc1cccc(-n2ccc(C(=O)NC[C@@H]3C[NH+]4CCN3CC4)n2)c1 ZINC000374273194 268231251 /nfs/dbraw/zinc/23/12/51/268231251.db2.gz LJFWFFSGHBOIEY-MRXNPFEDSA-N 1 2 336.399 0.474 20 30 ECEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)c1 ZINC000355096337 268251057 /nfs/dbraw/zinc/25/10/57/268251057.db2.gz JULROCFEDWCDQG-INIZCTEOSA-N 1 2 341.415 0.710 20 30 ECEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)c1 ZINC000355096337 268251059 /nfs/dbraw/zinc/25/10/59/268251059.db2.gz JULROCFEDWCDQG-INIZCTEOSA-N 1 2 341.415 0.710 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@]3(CNC(=O)C3)C2)c1 ZINC000338938790 268275855 /nfs/dbraw/zinc/27/58/55/268275855.db2.gz SDVINSFZOCUURF-QGZVFWFLSA-N 1 2 347.440 0.934 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@]3(CNC(=O)C3)C2)c1 ZINC000338938790 268275856 /nfs/dbraw/zinc/27/58/56/268275856.db2.gz SDVINSFZOCUURF-QGZVFWFLSA-N 1 2 347.440 0.934 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(OCCO)CC2)c1 ZINC000336869473 268275858 /nfs/dbraw/zinc/27/58/58/268275858.db2.gz CFLWAKWSXYVTAD-UHFFFAOYSA-N 1 2 338.429 0.805 20 30 ECEDLO N#Cc1ncccc1S(=O)(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000373012924 268329192 /nfs/dbraw/zinc/32/91/92/268329192.db2.gz JJVZVPNZTSRCGH-UONOGXRCSA-N 1 2 336.417 0.173 20 30 ECEDLO N#Cc1ncn(CCNC(=O)N2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000347607986 268335723 /nfs/dbraw/zinc/33/57/23/268335723.db2.gz BUOSTKHLINDJIB-UHFFFAOYSA-N 1 2 340.391 0.072 20 30 ECEDLO C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@H](C)[NH+]1CCOCC1 ZINC000105739424 277603219 /nfs/dbraw/zinc/60/32/19/277603219.db2.gz MGUGJKYIPNYKDL-NEPJUHHUSA-N 1 2 348.378 0.861 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000428691500 277864969 /nfs/dbraw/zinc/86/49/69/277864969.db2.gz VJXJLQGNYQFNJG-UHFFFAOYSA-N 1 2 343.449 0.289 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)s1 ZINC000416660472 288179112 /nfs/dbraw/zinc/17/91/12/288179112.db2.gz IOVSTQOPQTYVEP-WDEREUQCSA-N 1 2 329.447 0.695 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)s1 ZINC000416660472 288179114 /nfs/dbraw/zinc/17/91/14/288179114.db2.gz IOVSTQOPQTYVEP-WDEREUQCSA-N 1 2 329.447 0.695 20 30 ECEDLO CN1CCN(C(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C[C@H]1C#N ZINC000298790581 290006863 /nfs/dbraw/zinc/00/68/63/290006863.db2.gz RWRWWJVFBYTOTQ-OLZOCXBDSA-N 1 2 330.392 0.129 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000452104686 297006930 /nfs/dbraw/zinc/00/69/30/297006930.db2.gz MTWLJSHPVKHYGJ-LLVKDONJSA-N 1 2 343.836 0.899 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000452104686 297006931 /nfs/dbraw/zinc/00/69/31/297006931.db2.gz MTWLJSHPVKHYGJ-LLVKDONJSA-N 1 2 343.836 0.899 20 30 ECEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000274492084 295366834 /nfs/dbraw/zinc/36/68/34/295366834.db2.gz PGPZXJKDRVDEJP-KKUMJFAQSA-N 1 2 347.415 0.758 20 30 ECEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000274492084 295366835 /nfs/dbraw/zinc/36/68/35/295366835.db2.gz PGPZXJKDRVDEJP-KKUMJFAQSA-N 1 2 347.415 0.758 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+](CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000071012592 435998995 /nfs/dbraw/zinc/99/89/95/435998995.db2.gz VGLNJWSPGRJOOG-LBPRGKRZSA-N 1 2 331.438 0.287 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+](CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000071012592 435999001 /nfs/dbraw/zinc/99/90/01/435999001.db2.gz VGLNJWSPGRJOOG-LBPRGKRZSA-N 1 2 331.438 0.287 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C(=O)OCC)cn2)CC1 ZINC000026143213 436161274 /nfs/dbraw/zinc/16/12/74/436161274.db2.gz AYFVQQXDVNPEDL-CQSZACIVSA-N 1 2 344.415 0.518 20 30 ECEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000190849760 301075577 /nfs/dbraw/zinc/07/55/77/301075577.db2.gz QKBALXMULPBWNB-UONOGXRCSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000190849760 301075582 /nfs/dbraw/zinc/07/55/82/301075582.db2.gz QKBALXMULPBWNB-UONOGXRCSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000262013512 301075587 /nfs/dbraw/zinc/07/55/87/301075587.db2.gz MMBLKDFNPQTTAX-CQSZACIVSA-N 1 2 345.428 0.935 20 30 ECEDLO C#CC[NH+]1CCN(CN2C(=O)N[C@](C)(c3ccccc3C)C2=O)CC1 ZINC000076264836 436197845 /nfs/dbraw/zinc/19/78/45/436197845.db2.gz PDAPSWZKBCVDML-LJQANCHMSA-N 1 2 340.427 0.970 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029451829 436203680 /nfs/dbraw/zinc/20/36/80/436203680.db2.gz YBBGADBYIQXJRE-ZDUSSCGKSA-N 1 2 342.403 0.476 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000076384613 436203999 /nfs/dbraw/zinc/20/39/99/436203999.db2.gz PWJHZGVIXODLPU-GJZGRUSLSA-N 1 2 326.462 0.804 20 30 ECEDLO CNC(=O)NC(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000078269184 436262337 /nfs/dbraw/zinc/26/23/37/436262337.db2.gz DFXABTRKLQWEHD-DZGCQCFKSA-N 1 2 329.404 0.713 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN([C@H](C(=O)OC)c2ccccc2)CC1 ZINC000078263549 436262512 /nfs/dbraw/zinc/26/25/12/436262512.db2.gz UXTXLXZBRJEOGZ-KRWDZBQOSA-N 1 2 331.416 0.821 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000042631962 436311342 /nfs/dbraw/zinc/31/13/42/436311342.db2.gz AVYPBEZLICCLBV-INIZCTEOSA-N 1 2 334.464 0.145 20 30 ECEDLO C#CCNC(=O)[C@H](C)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000042631962 436311344 /nfs/dbraw/zinc/31/13/44/436311344.db2.gz AVYPBEZLICCLBV-INIZCTEOSA-N 1 2 334.464 0.145 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1c(C#N)nnc2ccccc21 ZINC000081015605 436334464 /nfs/dbraw/zinc/33/44/64/436334464.db2.gz UPJBEMQWDJXOKW-ZDUSSCGKSA-N 1 2 327.388 0.631 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc3oc(=O)n(C)c3c2)CC1 ZINC000085275714 436387624 /nfs/dbraw/zinc/38/76/24/436387624.db2.gz JEVCOAYDCLFTME-UHFFFAOYSA-N 1 2 328.372 0.321 20 30 ECEDLO C#CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 ZINC000091930850 436464277 /nfs/dbraw/zinc/46/42/77/436464277.db2.gz RCAHKJZQDSYHRJ-UHFFFAOYSA-N 1 2 341.411 0.621 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(Cc2noc(C)n2)CC1 ZINC000114465501 436642066 /nfs/dbraw/zinc/64/20/66/436642066.db2.gz BGUUPEUUCAMXMP-CYBMUJFWSA-N 1 2 334.424 0.504 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193770736 436653232 /nfs/dbraw/zinc/65/32/32/436653232.db2.gz QUXZMYINHHQLHS-AWEZNQCLSA-N 1 2 326.404 0.836 20 30 ECEDLO COCCO[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000548684073 302320243 /nfs/dbraw/zinc/32/02/43/302320243.db2.gz OQYQWLQNZZYGKP-CVEARBPZSA-N 1 2 343.383 0.927 20 30 ECEDLO COCCO[C@@H]1CC[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000548684073 302320245 /nfs/dbraw/zinc/32/02/45/302320245.db2.gz OQYQWLQNZZYGKP-CVEARBPZSA-N 1 2 343.383 0.927 20 30 ECEDLO C#CC[NH+]1CCN(CN2C(=O)N[C@@]3(CC(C)(C)OC3(C)C)C2=O)CC1 ZINC000151746155 436710942 /nfs/dbraw/zinc/71/09/42/436710942.db2.gz ZPCSKBSSJGPBKJ-SFHVURJKSA-N 1 2 348.447 0.463 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Cc1cccc(OCC#N)c1 ZINC000270475632 436674711 /nfs/dbraw/zinc/67/47/11/436674711.db2.gz HZYBKXCTVKGURW-MRXNPFEDSA-N 1 2 347.415 0.283 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(F)cc2F)CC1 ZINC000152106238 436718982 /nfs/dbraw/zinc/71/89/82/436718982.db2.gz ZVNNJKRRVKTEOV-UHFFFAOYSA-N 1 2 349.381 0.791 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(F)cc2F)CC1 ZINC000152106238 436718985 /nfs/dbraw/zinc/71/89/85/436718985.db2.gz ZVNNJKRRVKTEOV-UHFFFAOYSA-N 1 2 349.381 0.791 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000272814585 436722346 /nfs/dbraw/zinc/72/23/46/436722346.db2.gz HOMXVXSZCQTODB-UHFFFAOYSA-N 1 2 336.417 0.777 20 30 ECEDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N(CC)C[C@H](C)C#N)C1 ZINC000245534132 436763671 /nfs/dbraw/zinc/76/36/71/436763671.db2.gz JKSNADXQMGIRGZ-CHWSQXEVSA-N 1 2 330.454 0.008 20 30 ECEDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)C1 ZINC000245534132 436763675 /nfs/dbraw/zinc/76/36/75/436763675.db2.gz JKSNADXQMGIRGZ-CHWSQXEVSA-N 1 2 330.454 0.008 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(NC(C)=O)cc2OC)CC1 ZINC000152029006 436717584 /nfs/dbraw/zinc/71/75/84/436717584.db2.gz SVZOXESGIONYRW-UHFFFAOYSA-N 1 2 344.415 0.843 20 30 ECEDLO C[C@@H](CC#N)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000156034053 436808319 /nfs/dbraw/zinc/80/83/19/436808319.db2.gz KTZMKFNWADJMFG-AWEZNQCLSA-N 1 2 329.404 0.929 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CSCC(=O)N(C)CCCC)CC1 ZINC000156093056 436810370 /nfs/dbraw/zinc/81/03/70/436810370.db2.gz DPOFMWFQOAXPHS-UHFFFAOYSA-N 1 2 325.478 0.756 20 30 ECEDLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000156187045 436811730 /nfs/dbraw/zinc/81/17/30/436811730.db2.gz QSMFROGGADKUJW-STQMWFEESA-N 1 2 342.465 0.341 20 30 ECEDLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000156187045 436811731 /nfs/dbraw/zinc/81/17/31/436811731.db2.gz QSMFROGGADKUJW-STQMWFEESA-N 1 2 342.465 0.341 20 30 ECEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C2(C#N)CCOCC2)CC1 ZINC000154858213 436786442 /nfs/dbraw/zinc/78/64/42/436786442.db2.gz XTPPUIXRGMNNQW-OAHLLOKOSA-N 1 2 348.447 0.462 20 30 ECEDLO C#CC[N@@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)C1CC1 ZINC000274157503 436801794 /nfs/dbraw/zinc/80/17/94/436801794.db2.gz LUVCZMJSAPEOQK-UHFFFAOYSA-N 1 2 333.413 0.321 20 30 ECEDLO C#CC[N@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)C1CC1 ZINC000274157503 436801796 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345.509 0.895 20 30 ECEDLO COCCOCC[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000289000719 437373310 /nfs/dbraw/zinc/37/33/10/437373310.db2.gz MLMFVCSMAQVNGH-UHFFFAOYSA-N 1 2 326.418 0.927 20 30 ECEDLO COCCOCC[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000289000719 437373316 /nfs/dbraw/zinc/37/33/16/437373316.db2.gz MLMFVCSMAQVNGH-UHFFFAOYSA-N 1 2 326.418 0.927 20 30 ECEDLO NC(=O)NC1(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000329177981 437329630 /nfs/dbraw/zinc/32/96/30/437329630.db2.gz MEQBPOAWRUSRGM-CYBMUJFWSA-N 1 2 328.438 0.766 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000337104955 437333473 /nfs/dbraw/zinc/33/34/73/437333473.db2.gz YZBSPZDPGQDNSB-HNNXBMFYSA-N 1 2 344.481 0.653 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000337159129 437337575 /nfs/dbraw/zinc/33/75/75/437337575.db2.gz RLYJERBRGCMWSA-ZDUSSCGKSA-N 1 2 340.453 0.569 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2CC(=O)NC2(C#N)CCC2)O1 ZINC000338360183 437405771 /nfs/dbraw/zinc/40/57/71/437405771.db2.gz PHRQBCWYNQLBQF-CRWXNKLISA-N 1 2 335.404 0.732 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2CC(=O)NC2(C#N)CCC2)O1 ZINC000338360183 437405776 /nfs/dbraw/zinc/40/57/76/437405776.db2.gz PHRQBCWYNQLBQF-CRWXNKLISA-N 1 2 335.404 0.732 20 30 ECEDLO C#CC(C)(C)[N@@H+](C)CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000279191098 437382849 /nfs/dbraw/zinc/38/28/49/437382849.db2.gz DYEAQNGIIAHHQZ-UHFFFAOYSA-N 1 2 334.420 0.862 20 30 ECEDLO C#CC(C)(C)[N@H+](C)CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000279191098 437382853 /nfs/dbraw/zinc/38/28/53/437382853.db2.gz DYEAQNGIIAHHQZ-UHFFFAOYSA-N 1 2 334.420 0.862 20 30 ECEDLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@@H]1CCCC[C@H]1O ZINC000329588539 437387465 /nfs/dbraw/zinc/38/74/65/437387465.db2.gz XSBJACRLNDWMGT-ZIAGYGMSSA-N 1 2 337.424 0.845 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccnn1CC(F)F ZINC000279291116 437392562 /nfs/dbraw/zinc/39/25/62/437392562.db2.gz UMLXHSZCJBISDN-UHFFFAOYSA-N 1 2 341.362 0.836 20 30 ECEDLO CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329648747 437396969 /nfs/dbraw/zinc/39/69/69/437396969.db2.gz FDBPJQFXHQCAEF-XQLPTFJDSA-N 1 2 349.435 0.662 20 30 ECEDLO CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329648747 437396972 /nfs/dbraw/zinc/39/69/72/437396972.db2.gz FDBPJQFXHQCAEF-XQLPTFJDSA-N 1 2 349.435 0.662 20 30 ECEDLO O=C(NCC[NH+]1CCSCC1)NC[C@@H]1CCCCS1(=O)=O ZINC000329662326 437399371 /nfs/dbraw/zinc/39/93/71/437399371.db2.gz PJBZTYPMKNPVQD-LBPRGKRZSA-N 1 2 335.495 0.506 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184345187 437402284 /nfs/dbraw/zinc/40/22/84/437402284.db2.gz LBTYGFQGAQGWHQ-UHFFFAOYSA-N 1 2 347.375 0.865 20 30 ECEDLO Cn1nnc(CNC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000330216263 437471579 /nfs/dbraw/zinc/47/15/79/437471579.db2.gz HQGRGIZLBOWSML-UHFFFAOYSA-N 1 2 333.371 0.581 20 30 ECEDLO Cn1cc(CN2CCN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)CC2)cn1 ZINC000330268022 437477830 /nfs/dbraw/zinc/47/78/30/437477830.db2.gz ILDGKAQBHHBCQF-HNNXBMFYSA-N 1 2 343.435 0.663 20 30 ECEDLO C[C@H]1CCN(C(=O)NCC[NH+]2CCSCC2)CCS1(=O)=O ZINC000330297530 437480256 /nfs/dbraw/zinc/48/02/56/437480256.db2.gz GXVXKAPZRKGOLK-LBPRGKRZSA-N 1 2 335.495 0.458 20 30 ECEDLO C[C@H](NC(=O)CN1C[C@@H]2OCC[N@H+](C)[C@H]2C1)C(=O)N1CCCCC1 ZINC000330305938 437481174 /nfs/dbraw/zinc/48/11/74/437481174.db2.gz RBVVCUMSURAQRO-KKUMJFAQSA-N 1 2 338.452 0.359 20 30 ECEDLO C[C@H](NC(=O)CN1C[C@@H]2OCC[N@@H+](C)[C@H]2C1)C(=O)N1CCCCC1 ZINC000330305938 437481178 /nfs/dbraw/zinc/48/11/78/437481178.db2.gz RBVVCUMSURAQRO-KKUMJFAQSA-N 1 2 338.452 0.359 20 30 ECEDLO C[C@H](NC(=O)C[N@@H+]1C[C@@H]2OCCN(C)[C@H]2C1)C(=O)N1CCCCC1 ZINC000330305938 437481180 /nfs/dbraw/zinc/48/11/80/437481180.db2.gz RBVVCUMSURAQRO-KKUMJFAQSA-N 1 2 338.452 0.359 20 30 ECEDLO C[C@H](NC(=O)C[N@H+]1C[C@@H]2OCCN(C)[C@H]2C1)C(=O)N1CCCCC1 ZINC000330305938 437481184 /nfs/dbraw/zinc/48/11/84/437481184.db2.gz RBVVCUMSURAQRO-KKUMJFAQSA-N 1 2 338.452 0.359 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(C(F)(F)F)nn1 ZINC000329927593 437432800 /nfs/dbraw/zinc/43/28/00/437432800.db2.gz XDEUIPURXPJKBY-VIFPVBQESA-N 1 2 333.314 1.542 20 30 ECEDLO Cn1ccnc1[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CCN1C ZINC000329955752 437436664 /nfs/dbraw/zinc/43/66/64/437436664.db2.gz KWFCBKDZZNKSAD-KGLIPLIRSA-N 1 2 343.435 0.834 20 30 ECEDLO CCN1CCN(C(=O)NCCN2C(=O)CCC2=O)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329965036 437437074 /nfs/dbraw/zinc/43/70/74/437437074.db2.gz QWRSIXARYJSWQX-GFCCVEGCSA-N 1 2 348.407 0.151 20 30 ECEDLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[S@](=O)C2)C[C@@H](C)O1 ZINC000329988125 437443459 /nfs/dbraw/zinc/44/34/59/437443459.db2.gz GTIKICMRGOPVPQ-PHYLKHFNSA-N 1 2 331.482 0.899 20 30 ECEDLO CNC(=O)[C@@H]1CCC[C@@H]1Nc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000330032998 437446938 /nfs/dbraw/zinc/44/69/38/437446938.db2.gz ABDFAOQYVHMMBE-NEPJUHHUSA-N 1 2 332.408 0.922 20 30 ECEDLO CNC(=O)[C@@H]1CCC[C@@H]1Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000330032998 437446942 /nfs/dbraw/zinc/44/69/42/437446942.db2.gz ABDFAOQYVHMMBE-NEPJUHHUSA-N 1 2 332.408 0.922 20 30 ECEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC(Cn2cncn2)CC1 ZINC000330198066 437467221 /nfs/dbraw/zinc/46/72/21/437467221.db2.gz SRZFSTXBCSMKJS-OAHLLOKOSA-N 1 2 349.483 0.540 20 30 ECEDLO N#Cc1cnc(C(=O)N(CCO)CC[NH+]2CCOCC2)c(Cl)c1 ZINC000339802934 437503982 /nfs/dbraw/zinc/50/39/82/437503982.db2.gz IIMXBKFQJHJZND-UHFFFAOYSA-N 1 2 338.795 0.373 20 30 ECEDLO CC(C)C(=O)NC1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000330412423 437504259 /nfs/dbraw/zinc/50/42/59/437504259.db2.gz SHWKOHUHOHFICN-CQSZACIVSA-N 1 2 340.468 0.858 20 30 ECEDLO CC(C)C[C@H](CNC(=O)C(=O)NCCCCC#N)[NH+]1CCOCC1 ZINC000339988864 437542458 /nfs/dbraw/zinc/54/24/58/437542458.db2.gz XGQRJAKSUVMORP-OAHLLOKOSA-N 1 2 338.452 0.660 20 30 ECEDLO CCCCNC(=O)NC(=O)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000330556287 437552667 /nfs/dbraw/zinc/55/26/67/437552667.db2.gz HCHMQVZVLHHOFV-MJBXVCDLSA-N 1 2 327.425 0.679 20 30 ECEDLO CCCCNC(=O)NC(=O)C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000330556287 437552673 /nfs/dbraw/zinc/55/26/73/437552673.db2.gz HCHMQVZVLHHOFV-MJBXVCDLSA-N 1 2 327.425 0.679 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CC[N@@H+]1CC(C)(C)O ZINC000188804857 437571882 /nfs/dbraw/zinc/57/18/82/437571882.db2.gz PAGKTEKYBNFTSU-LBPRGKRZSA-N 1 2 338.433 0.419 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CC[N@H+]1CC(C)(C)O ZINC000188804857 437571886 /nfs/dbraw/zinc/57/18/86/437571886.db2.gz PAGKTEKYBNFTSU-LBPRGKRZSA-N 1 2 338.433 0.419 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000330644803 437577319 /nfs/dbraw/zinc/57/73/19/437577319.db2.gz FSGVAOKIDPPMPE-QAPCUYQASA-N 1 2 346.479 0.981 20 30 ECEDLO O=C(NCCOCC(F)(F)F)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000330900709 437646646 /nfs/dbraw/zinc/64/66/46/437646646.db2.gz QWZQDYVRGMNPKP-NSHDSACASA-N 1 2 325.331 0.886 20 30 ECEDLO COCCC[N@H+](Cc1cc(C#N)n(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000191188105 437649802 /nfs/dbraw/zinc/64/98/02/437649802.db2.gz ORQODLBJQRDECJ-AWEZNQCLSA-N 1 2 325.434 0.922 20 30 ECEDLO COCCC[N@@H+](Cc1cc(C#N)n(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000191188105 437649806 /nfs/dbraw/zinc/64/98/06/437649806.db2.gz ORQODLBJQRDECJ-AWEZNQCLSA-N 1 2 325.434 0.922 20 30 ECEDLO COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000354795080 437651799 /nfs/dbraw/zinc/65/17/99/437651799.db2.gz IDEHLKCZNWAEJF-NSHDSACASA-N 1 2 339.355 0.902 20 30 ECEDLO COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000354795080 437651805 /nfs/dbraw/zinc/65/18/05/437651805.db2.gz IDEHLKCZNWAEJF-NSHDSACASA-N 1 2 339.355 0.902 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1c[nH+]c[nH]1 ZINC000360930419 437652453 /nfs/dbraw/zinc/65/24/53/437652453.db2.gz LRNOOFSUPCYDON-SNVBAGLBSA-N 1 2 333.373 0.265 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1c[nH]c[nH+]1 ZINC000360930419 437652457 /nfs/dbraw/zinc/65/24/57/437652457.db2.gz LRNOOFSUPCYDON-SNVBAGLBSA-N 1 2 333.373 0.265 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2nnc(C3CCC3)n2C)CC1 ZINC000361020465 437654064 /nfs/dbraw/zinc/65/40/64/437654064.db2.gz KXHDBAREYUJXOK-UHFFFAOYSA-N 1 2 332.452 0.502 20 30 ECEDLO CCC[C@@H]1CCC[N@H+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000330986413 437663564 /nfs/dbraw/zinc/66/35/64/437663564.db2.gz QLZQSYKSAYUXME-CHWSQXEVSA-N 1 2 345.465 0.716 20 30 ECEDLO CCC[C@@H]1CCC[N@@H+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000330986413 437663567 /nfs/dbraw/zinc/66/35/67/437663567.db2.gz QLZQSYKSAYUXME-CHWSQXEVSA-N 1 2 345.465 0.716 20 30 ECEDLO COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 ZINC000361559590 437670099 /nfs/dbraw/zinc/67/00/99/437670099.db2.gz TXSPSNFWSGGJBL-GFCCVEGCSA-N 1 2 329.422 0.189 20 30 ECEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000331189383 437710722 /nfs/dbraw/zinc/71/07/22/437710722.db2.gz VECXZRHSVWAAMJ-OCCSQVGLSA-N 1 2 330.454 0.054 20 30 ECEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000331189383 437710725 /nfs/dbraw/zinc/71/07/25/437710725.db2.gz VECXZRHSVWAAMJ-OCCSQVGLSA-N 1 2 330.454 0.054 20 30 ECEDLO CN(C)c1cnc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cn1 ZINC000355601499 437717730 /nfs/dbraw/zinc/71/77/30/437717730.db2.gz DHTYMEVBZMUHJT-UHFFFAOYSA-N 1 2 332.408 0.231 20 30 ECEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000340725555 437717807 /nfs/dbraw/zinc/71/78/07/437717807.db2.gz FVVZXNHTQPEOAC-CYBMUJFWSA-N 1 2 342.355 0.446 20 30 ECEDLO N#CC1(CS(=O)(=O)NC[C@H]2C[NH+]3CCN2CC3)CCCCC1 ZINC000356492459 437772068 /nfs/dbraw/zinc/77/20/68/437772068.db2.gz VEJQLQFXFYTXKO-AWEZNQCLSA-N 1 2 326.466 0.380 20 30 ECEDLO C=CCOCC[NH+]1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000292795888 437721978 /nfs/dbraw/zinc/72/19/78/437721978.db2.gz LYJWZMVCZSMJEA-UHFFFAOYSA-N 1 2 328.438 0.237 20 30 ECEDLO C[C@@H](CNS(=O)(=O)c1ccc(C#N)s1)C[NH+]1CCOCC1 ZINC000331223537 437722147 /nfs/dbraw/zinc/72/21/47/437722147.db2.gz LSEADCVLXFEZIQ-NSHDSACASA-N 1 2 329.447 0.866 20 30 ECEDLO C=CCCS(=O)(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000340773508 437727157 /nfs/dbraw/zinc/72/71/57/437727157.db2.gz FNJQGISTGMWGNG-LBPRGKRZSA-N 1 2 326.422 0.407 20 30 ECEDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NCc2nccs2)CCO1 ZINC000331253795 437727398 /nfs/dbraw/zinc/72/73/98/437727398.db2.gz VYWSDKWMKSOKSO-SNVBAGLBSA-N 1 2 327.410 0.725 20 30 ECEDLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NCc2nccs2)CCO1 ZINC000331253795 437727400 /nfs/dbraw/zinc/72/74/00/437727400.db2.gz VYWSDKWMKSOKSO-SNVBAGLBSA-N 1 2 327.410 0.725 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@@H](NS(=O)(=O)CCCC#N)C1=O ZINC000340846731 437749719 /nfs/dbraw/zinc/74/97/19/437749719.db2.gz KSIFJZXCGRYTCV-GFCCVEGCSA-N 1 2 339.421 0.134 20 30 ECEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)CCC1 ZINC000347052818 437825160 /nfs/dbraw/zinc/82/51/60/437825160.db2.gz LJZBYLSXBBIECH-CQSZACIVSA-N 1 2 330.388 0.923 20 30 ECEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2C(=O)NCc2ccco2)CCC1 ZINC000347052818 437825167 /nfs/dbraw/zinc/82/51/67/437825167.db2.gz LJZBYLSXBBIECH-CQSZACIVSA-N 1 2 330.388 0.923 20 30 ECEDLO C=CCCN(C)C(=O)C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000341061922 437787194 /nfs/dbraw/zinc/78/71/94/437787194.db2.gz KHXXFIMAVVUING-CYBMUJFWSA-N 1 2 347.419 0.062 20 30 ECEDLO C#CCSCCNC(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000370605314 437809792 /nfs/dbraw/zinc/80/97/92/437809792.db2.gz YCKNBYBJMABHNP-MRXNPFEDSA-N 1 2 341.477 0.533 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000370792122 437842117 /nfs/dbraw/zinc/84/21/17/437842117.db2.gz HERZGNLIAXHKJO-SJKOYZFVSA-N 1 2 347.419 0.344 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000370792122 437842121 /nfs/dbraw/zinc/84/21/21/437842121.db2.gz HERZGNLIAXHKJO-SJKOYZFVSA-N 1 2 347.419 0.344 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCc2ccc(C(=O)OC)cc2C1 ZINC000357027724 437888780 /nfs/dbraw/zinc/88/87/80/437888780.db2.gz SLQGYQZYYNGJPU-UHFFFAOYSA-N 1 2 331.372 0.843 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCc2ccc(C(=O)OC)cc2C1 ZINC000357027724 437888783 /nfs/dbraw/zinc/88/87/83/437888783.db2.gz SLQGYQZYYNGJPU-UHFFFAOYSA-N 1 2 331.372 0.843 20 30 ECEDLO Cn1nc2c(cc1=O)C[N@@H+](CC(=O)NCc1cccc(C#N)c1)CC2 ZINC000365620057 437939811 /nfs/dbraw/zinc/93/98/11/437939811.db2.gz OFNHRVAWJXXRHC-UHFFFAOYSA-N 1 2 337.383 0.326 20 30 ECEDLO Cn1nc2c(cc1=O)C[N@H+](CC(=O)NCc1cccc(C#N)c1)CC2 ZINC000365620057 437939820 /nfs/dbraw/zinc/93/98/20/437939820.db2.gz OFNHRVAWJXXRHC-UHFFFAOYSA-N 1 2 337.383 0.326 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000342103030 437969257 /nfs/dbraw/zinc/96/92/57/437969257.db2.gz TXLWMHAEOXQOHC-OAHLLOKOSA-N 1 2 347.463 0.715 20 30 ECEDLO C=CCNC(=O)CN1CCN(c2nc(C(C)C)[nH+]c(N(C)C)n2)CC1 ZINC000347864385 437972986 /nfs/dbraw/zinc/97/29/86/437972986.db2.gz GEFPBWFDJFJUKQ-UHFFFAOYSA-N 1 2 347.467 0.485 20 30 ECEDLO Cc1ncc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)cc1C#N ZINC000416672635 437986690 /nfs/dbraw/zinc/98/66/90/437986690.db2.gz YZXILLWWENZPGD-RYUDHWBXSA-N 1 2 338.433 0.337 20 30 ECEDLO Cc1ncc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)cc1C#N ZINC000416672635 437986696 /nfs/dbraw/zinc/98/66/96/437986696.db2.gz YZXILLWWENZPGD-RYUDHWBXSA-N 1 2 338.433 0.337 20 30 ECEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)c(C#N)c1C ZINC000366435464 438071077 /nfs/dbraw/zinc/07/10/77/438071077.db2.gz LMQCWCDQZFWQKG-NDMJEZRESA-N 1 2 344.371 0.690 20 30 ECEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)c(C#N)c1C ZINC000366435464 438071081 /nfs/dbraw/zinc/07/10/81/438071081.db2.gz LMQCWCDQZFWQKG-NDMJEZRESA-N 1 2 344.371 0.690 20 30 ECEDLO C=C[C@@](C)(CCOC)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000372674266 438107618 /nfs/dbraw/zinc/10/76/18/438107618.db2.gz KSSAKEFJZGWQLA-KRWDZBQOSA-N 1 2 325.453 0.838 20 30 ECEDLO C=C[C@@](C)(CCOC)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000372674266 438107622 /nfs/dbraw/zinc/10/76/22/438107622.db2.gz KSSAKEFJZGWQLA-KRWDZBQOSA-N 1 2 325.453 0.838 20 30 ECEDLO C[C@H](c1cccc(NC(=O)NCC(=O)NCC#N)c1)[NH+]1CCOCC1 ZINC000349363643 438147386 /nfs/dbraw/zinc/14/73/86/438147386.db2.gz DAUPZCBLUQWIBI-CYBMUJFWSA-N 1 2 345.403 0.841 20 30 ECEDLO C=CCN1CC[C@@H](N2CCC[N@@H+](CC(=O)NC(C)(C)C)CC2)C1=O ZINC000374100482 438188522 /nfs/dbraw/zinc/18/85/22/438188522.db2.gz UFCUEAVWIZWNPM-OAHLLOKOSA-N 1 2 336.480 0.696 20 30 ECEDLO C=CCN1CC[C@@H](N2CCC[N@H+](CC(=O)NC(C)(C)C)CC2)C1=O ZINC000374100482 438188526 /nfs/dbraw/zinc/18/85/26/438188526.db2.gz UFCUEAVWIZWNPM-OAHLLOKOSA-N 1 2 336.480 0.696 20 30 ECEDLO N#CCNC(=O)CNC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000358267667 438190881 /nfs/dbraw/zinc/19/08/81/438190881.db2.gz AIDNXBJDMMWYGA-UHFFFAOYSA-N 1 2 349.822 0.807 20 30 ECEDLO N#CCNC(=O)CNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000358287368 438192559 /nfs/dbraw/zinc/19/25/59/438192559.db2.gz CFDFRMMBYGMDTM-UHFFFAOYSA-N 1 2 345.403 0.032 20 30 ECEDLO CN1C(=O)CC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000349435771 438152748 /nfs/dbraw/zinc/15/27/48/438152748.db2.gz PQOFIYUIUISZNY-INIZCTEOSA-N 1 2 326.400 0.823 20 30 ECEDLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000367009664 438154408 /nfs/dbraw/zinc/15/44/08/438154408.db2.gz NGAQJIVMIMXQMJ-UHFFFAOYSA-N 1 2 332.379 0.933 20 30 ECEDLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000367009664 438154412 /nfs/dbraw/zinc/15/44/12/438154412.db2.gz NGAQJIVMIMXQMJ-UHFFFAOYSA-N 1 2 332.379 0.933 20 30 ECEDLO C=CCC[C@@H](O)C[NH+]1CCC(C(=O)OCC)(S(C)(=O)=O)CC1 ZINC000367712625 438239636 /nfs/dbraw/zinc/23/96/36/438239636.db2.gz LRDRSNHJEWSJMA-CYBMUJFWSA-N 1 2 333.450 0.756 20 30 ECEDLO N#Cc1cc(N[C@@H]2CCCN(CC[NH+]3CCOCC3)C2=O)ccn1 ZINC000367835091 438255076 /nfs/dbraw/zinc/25/50/76/438255076.db2.gz HJPVCZJYDREZFL-MRXNPFEDSA-N 1 2 329.404 0.110 20 30 ECEDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)NCC(=O)NCC#N)c1 ZINC000376363639 438279523 /nfs/dbraw/zinc/27/95/23/438279523.db2.gz CGPAFFRXTNQOLS-UHFFFAOYSA-N 1 2 326.360 0.526 20 30 ECEDLO COc1cc[nH+]cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000369218595 438437674 /nfs/dbraw/zinc/43/76/74/438437674.db2.gz JSAWTCVUZQSWEV-LBPRGKRZSA-N 1 2 329.360 0.227 20 30 ECEDLO CC[C@@H](C(=O)OC)N1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000352688621 438462861 /nfs/dbraw/zinc/46/28/61/438462861.db2.gz BSKICWVXYRABAU-HNNXBMFYSA-N 1 2 349.435 0.212 20 30 ECEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCO[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000369319601 438452772 /nfs/dbraw/zinc/45/27/72/438452772.db2.gz PCVDXCLSSAVBJR-BRWVUGGUSA-N 1 2 337.464 0.442 20 30 ECEDLO C#CC[C@H](C)NC(=O)N1C[C@@H](O)[C@H]([N@H+](CC)Cc2nnc(C)o2)C1 ZINC000369636340 438498758 /nfs/dbraw/zinc/49/87/58/438498758.db2.gz GPSUWAQXCZHBQG-IACUBPJLSA-N 1 2 335.408 0.366 20 30 ECEDLO C#CC[C@H](C)NC(=O)N1C[C@@H](O)[C@H]([N@@H+](CC)Cc2nnc(C)o2)C1 ZINC000369636340 438498761 /nfs/dbraw/zinc/49/87/61/438498761.db2.gz GPSUWAQXCZHBQG-IACUBPJLSA-N 1 2 335.408 0.366 20 30 ECEDLO CC[C@@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@]2(CCOC2)O1 ZINC000369706665 438507915 /nfs/dbraw/zinc/50/79/15/438507915.db2.gz LWAMRQLBUDSZEW-WBVHZDCISA-N 1 2 334.420 0.912 20 30 ECEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@]2(CCOC2)O1 ZINC000369706665 438507920 /nfs/dbraw/zinc/50/79/20/438507920.db2.gz LWAMRQLBUDSZEW-WBVHZDCISA-N 1 2 334.420 0.912 20 30 ECEDLO CCN1CCN(C(=O)C(=O)NCC(C)(C)CC#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000422483150 438577942 /nfs/dbraw/zinc/57/79/42/438577942.db2.gz VNZURZZMGKTLKE-ZDUSSCGKSA-N 1 2 346.435 0.671 20 30 ECEDLO COC(=O)[C@H](O)C1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000441245493 438581083 /nfs/dbraw/zinc/58/10/83/438581083.db2.gz MHGMTPVPMKUALO-MRXNPFEDSA-N 1 2 331.372 0.743 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000451980668 438622205 /nfs/dbraw/zinc/62/22/05/438622205.db2.gz AATLJYHQMCLELV-VXGBXAGGSA-N 1 2 325.413 0.122 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000451980668 438622211 /nfs/dbraw/zinc/62/22/11/438622211.db2.gz AATLJYHQMCLELV-VXGBXAGGSA-N 1 2 325.413 0.122 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000452039022 438628944 /nfs/dbraw/zinc/62/89/44/438628944.db2.gz DSCZLSYBMXJPGO-HNNXBMFYSA-N 1 2 347.463 0.991 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000452039022 438628947 /nfs/dbraw/zinc/62/89/47/438628947.db2.gz DSCZLSYBMXJPGO-HNNXBMFYSA-N 1 2 347.463 0.991 20 30 ECEDLO C[N@H+](CCC#N)C[C@H](O)CN1C(=O)C[C@](C)(c2ccccc2)C1=O ZINC000414158565 438699192 /nfs/dbraw/zinc/69/91/92/438699192.db2.gz ZHAGDGNXZGIREY-MAUKXSAKSA-N 1 2 329.400 0.910 20 30 ECEDLO C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)C[C@](C)(c2ccccc2)C1=O ZINC000414158565 438699197 /nfs/dbraw/zinc/69/91/97/438699197.db2.gz ZHAGDGNXZGIREY-MAUKXSAKSA-N 1 2 329.400 0.910 20 30 ECEDLO C[N@H+](CCC#N)C[C@@H](O)CN1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000414120874 438699596 /nfs/dbraw/zinc/69/95/96/438699596.db2.gz FCGOPFBXIUTOGZ-CQSZACIVSA-N 1 2 334.376 0.864 20 30 ECEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000414120874 438699598 /nfs/dbraw/zinc/69/95/98/438699598.db2.gz FCGOPFBXIUTOGZ-CQSZACIVSA-N 1 2 334.376 0.864 20 30 ECEDLO CN(CCC#N)C[C@@H](O)C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000414120874 438699599 /nfs/dbraw/zinc/69/95/99/438699599.db2.gz FCGOPFBXIUTOGZ-CQSZACIVSA-N 1 2 334.376 0.864 20 30 ECEDLO COC(=O)c1cc(OC[C@H](O)C[N@H+](C)CCC#N)ccc1[N+](=O)[O-] ZINC000414144029 438700109 /nfs/dbraw/zinc/70/01/09/438700109.db2.gz JHGVAJIHFKGDIY-LLVKDONJSA-N 1 2 337.332 0.967 20 30 ECEDLO COC(=O)c1cc(OC[C@H](O)C[N@@H+](C)CCC#N)ccc1[N+](=O)[O-] ZINC000414144029 438700111 /nfs/dbraw/zinc/70/01/11/438700111.db2.gz JHGVAJIHFKGDIY-LLVKDONJSA-N 1 2 337.332 0.967 20 30 ECEDLO N#Cc1ncn(CC(=O)Nc2ccccc2C[NH+]2CCOCC2)n1 ZINC000495020362 438715684 /nfs/dbraw/zinc/71/56/84/438715684.db2.gz RPSMMBGPLDQOFC-UHFFFAOYSA-N 1 2 326.360 0.621 20 30 ECEDLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000575989112 438762730 /nfs/dbraw/zinc/76/27/30/438762730.db2.gz PJGVCHSSKZITDK-ZDUSSCGKSA-N 1 2 334.405 0.115 20 30 ECEDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000575989112 438762734 /nfs/dbraw/zinc/76/27/34/438762734.db2.gz PJGVCHSSKZITDK-ZDUSSCGKSA-N 1 2 334.405 0.115 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000497256057 438785644 /nfs/dbraw/zinc/78/56/44/438785644.db2.gz BYHDBNKNELVUFQ-DYVFJYSZSA-N 1 2 341.452 0.981 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000497256057 438785647 /nfs/dbraw/zinc/78/56/47/438785647.db2.gz BYHDBNKNELVUFQ-DYVFJYSZSA-N 1 2 341.452 0.981 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N[C@H]3CCOC3)CC2)cc1 ZINC000588045536 438815155 /nfs/dbraw/zinc/81/51/55/438815155.db2.gz YFYHDQVAUNNBQD-INIZCTEOSA-N 1 2 342.399 0.108 20 30 ECEDLO C=CCN1CC[C@@H](n2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)C1=O ZINC000559631045 438835894 /nfs/dbraw/zinc/83/58/94/438835894.db2.gz SXTSQTMTMFKFPZ-MRXNPFEDSA-N 1 2 342.399 0.512 20 30 ECEDLO C[N@@H+]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)[C@@H](CO)C1 ZINC000601469324 438907380 /nfs/dbraw/zinc/90/73/80/438907380.db2.gz ORXKRXWJIDLJBG-SNVBAGLBSA-N 1 2 329.809 0.509 20 30 ECEDLO C[N@H+]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)[C@@H](CO)C1 ZINC000601469324 438907385 /nfs/dbraw/zinc/90/73/85/438907385.db2.gz ORXKRXWJIDLJBG-SNVBAGLBSA-N 1 2 329.809 0.509 20 30 ECEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@](F)(C#N)C1 ZINC000589492521 438873440 /nfs/dbraw/zinc/87/34/40/438873440.db2.gz SHXFWNBRJOCCND-BBRMVZONSA-N 1 2 335.383 0.947 20 30 ECEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@](F)(C#N)C1 ZINC000589492521 438873443 /nfs/dbraw/zinc/87/34/43/438873443.db2.gz SHXFWNBRJOCCND-BBRMVZONSA-N 1 2 335.383 0.947 20 30 ECEDLO CCn1c(=O)[nH]c2cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccc2c1=O ZINC000564871125 438880267 /nfs/dbraw/zinc/88/02/67/438880267.db2.gz DZOKWBHMNYOBBB-KRWDZBQOSA-N 1 2 343.387 0.696 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC(C[NH+]3CCOCC3)C2)s1 ZINC000601417732 438884770 /nfs/dbraw/zinc/88/47/70/438884770.db2.gz BSCDGKMNEKVXKF-UHFFFAOYSA-N 1 2 327.431 0.572 20 30 ECEDLO C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)[C@H](CO)C1 ZINC000601469445 438909058 /nfs/dbraw/zinc/90/90/58/438909058.db2.gz QNUXFWJNIVONFN-ZDUSSCGKSA-N 1 2 327.381 0.135 20 30 ECEDLO C[N@H+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)[C@H](CO)C1 ZINC000601469445 438909062 /nfs/dbraw/zinc/90/90/62/438909062.db2.gz QNUXFWJNIVONFN-ZDUSSCGKSA-N 1 2 327.381 0.135 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000565785610 438977929 /nfs/dbraw/zinc/97/79/29/438977929.db2.gz AGPITDQFTNGEGR-NWDGAFQWSA-N 1 2 343.453 0.406 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(n4cnnn4)CC3)CC2)cc1 ZINC000596656152 438986064 /nfs/dbraw/zinc/98/60/64/438986064.db2.gz DTXWAHJVLROOQU-UHFFFAOYSA-N 1 2 337.387 0.378 20 30 ECEDLO C[C@]1(C#N)CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000596750594 438996784 /nfs/dbraw/zinc/99/67/84/438996784.db2.gz WYEYRGBBRWSLRX-MRXNPFEDSA-N 1 2 332.408 0.983 20 30 ECEDLO CN(CC[NH+]1CCOCC1)C(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000602034363 439001530 /nfs/dbraw/zinc/00/15/30/439001530.db2.gz OYOMMTOVPWRRRZ-UHFFFAOYSA-N 1 2 334.351 0.426 20 30 ECEDLO Cc1cc(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)nn1CCC#N ZINC000596815689 439004129 /nfs/dbraw/zinc/00/41/29/439004129.db2.gz CNTPIKOEMJOANL-CQSZACIVSA-N 1 2 332.408 1.044 20 30 ECEDLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2cncc(C#N)c2)C1 ZINC000579532151 439015989 /nfs/dbraw/zinc/01/59/89/439015989.db2.gz UKIDAEPWTOXLIT-AWEZNQCLSA-N 1 2 338.433 0.588 20 30 ECEDLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2cncc(C#N)c2)C1 ZINC000579532151 439015992 /nfs/dbraw/zinc/01/59/92/439015992.db2.gz UKIDAEPWTOXLIT-AWEZNQCLSA-N 1 2 338.433 0.588 20 30 ECEDLO C[C@@H](CC#N)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000597280847 439069366 /nfs/dbraw/zinc/06/93/66/439069366.db2.gz DZBWZUSBTCHQNV-AWEZNQCLSA-N 1 2 344.419 0.512 20 30 ECEDLO C[C@@H](CC#N)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000597280847 439069372 /nfs/dbraw/zinc/06/93/72/439069372.db2.gz DZBWZUSBTCHQNV-AWEZNQCLSA-N 1 2 344.419 0.512 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+](CCOC)Cc1ccc2c(c1)OCO2 ZINC000523605709 439173000 /nfs/dbraw/zinc/17/30/00/439173000.db2.gz MGRIZFNUQYDGFY-UHFFFAOYSA-N 1 2 349.387 0.876 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+](CCOC)Cc1ccc2c(c1)OCO2 ZINC000523605709 439173005 /nfs/dbraw/zinc/17/30/05/439173005.db2.gz MGRIZFNUQYDGFY-UHFFFAOYSA-N 1 2 349.387 0.876 20 30 ECEDLO N#CCc1ccc(CS(=O)(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000592038705 439139311 /nfs/dbraw/zinc/13/93/11/439139311.db2.gz HIYSEYOESIKOAY-KRWDZBQOSA-N 1 2 349.456 0.989 20 30 ECEDLO C[C@H](NC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1)C(=O)N1CCCCC1 ZINC000602854246 439145816 /nfs/dbraw/zinc/14/58/16/439145816.db2.gz AZLFIZHXFRFUNP-OAGGEKHMSA-N 1 2 349.479 0.422 20 30 ECEDLO COC(=O)[C@]1(C)C[C@H](OC)C[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000602930135 439163105 /nfs/dbraw/zinc/16/31/05/439163105.db2.gz HRNBQSTYFRVTDE-ZVZYQTTQSA-N 1 2 348.399 0.950 20 30 ECEDLO COC(=O)[C@]1(C)C[C@H](OC)C[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000602930135 439163109 /nfs/dbraw/zinc/16/31/09/439163109.db2.gz HRNBQSTYFRVTDE-ZVZYQTTQSA-N 1 2 348.399 0.950 20 30 ECEDLO COc1ccc(CNC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)cc1OC ZINC000592148608 439166040 /nfs/dbraw/zinc/16/60/40/439166040.db2.gz XNVLFRUZRCXWER-QGZVFWFLSA-N 1 2 333.388 0.670 20 30 ECEDLO COc1ccc(CNC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)cc1OC ZINC000592148608 439166043 /nfs/dbraw/zinc/16/60/43/439166043.db2.gz XNVLFRUZRCXWER-QGZVFWFLSA-N 1 2 333.388 0.670 20 30 ECEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CCN(CC#N)CC2)C1 ZINC000603277204 439226605 /nfs/dbraw/zinc/22/66/05/439226605.db2.gz COKFNEXXWQXJDS-UHFFFAOYSA-N 1 2 334.445 0.504 20 30 ECEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CCN(CC#N)CC2)C1 ZINC000603277204 439226610 /nfs/dbraw/zinc/22/66/10/439226610.db2.gz COKFNEXXWQXJDS-UHFFFAOYSA-N 1 2 334.445 0.504 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000592207619 439184408 /nfs/dbraw/zinc/18/44/08/439184408.db2.gz KSIFIPNBFPWPNJ-IACUBPJLSA-N 1 2 331.372 0.741 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000592207619 439184412 /nfs/dbraw/zinc/18/44/12/439184412.db2.gz KSIFIPNBFPWPNJ-IACUBPJLSA-N 1 2 331.372 0.741 20 30 ECEDLO COCC[N@H+](C)Cc1cn(CC(=O)NCc2cccc(C#N)c2)nn1 ZINC000603210166 439209428 /nfs/dbraw/zinc/20/94/28/439209428.db2.gz GMSBGIGKFFEBFM-UHFFFAOYSA-N 1 2 342.403 0.544 20 30 ECEDLO COCC[N@@H+](C)Cc1cn(CC(=O)NCc2cccc(C#N)c2)nn1 ZINC000603210166 439209432 /nfs/dbraw/zinc/20/94/32/439209432.db2.gz GMSBGIGKFFEBFM-UHFFFAOYSA-N 1 2 342.403 0.544 20 30 ECEDLO N#Cc1ccncc1N1CCN(S(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000603348516 439243691 /nfs/dbraw/zinc/24/36/91/439243691.db2.gz GOELWFHCSOXPBR-UHFFFAOYSA-N 1 2 346.416 0.302 20 30 ECEDLO Cn1nc(C2CC2)nc1CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000592757109 439273122 /nfs/dbraw/zinc/27/31/22/439273122.db2.gz JGTUZELSHPMNTJ-UHFFFAOYSA-N 1 2 346.435 0.309 20 30 ECEDLO C#C[C@H](NC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C(C)C ZINC000490974861 439320410 /nfs/dbraw/zinc/32/04/10/439320410.db2.gz QZOGZNVLDYJUFT-KBPBESRZSA-N 1 2 331.420 0.868 20 30 ECEDLO COCCN1CC[N@H+](C[C@H](O)COc2ccccc2C#N)CC1=O ZINC000528431748 439337050 /nfs/dbraw/zinc/33/70/50/439337050.db2.gz RGQKIOVREGJAEM-HNNXBMFYSA-N 1 2 333.388 0.089 20 30 ECEDLO COCCN1CC[N@@H+](C[C@H](O)COc2ccccc2C#N)CC1=O ZINC000528431748 439337057 /nfs/dbraw/zinc/33/70/57/439337057.db2.gz RGQKIOVREGJAEM-HNNXBMFYSA-N 1 2 333.388 0.089 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000568871583 439285184 /nfs/dbraw/zinc/28/51/84/439285184.db2.gz VGSHZSPFVKJILY-QGZVFWFLSA-N 1 2 343.387 0.312 20 30 ECEDLO N#CC[C@@]1(O)CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000592845731 439290759 /nfs/dbraw/zinc/29/07/59/439290759.db2.gz QNKAFJACYLQWAX-QGZVFWFLSA-N 1 2 329.404 0.081 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2c3c(sc2=O)C[C@H](C)CC3)CC1 ZINC000490800413 439300137 /nfs/dbraw/zinc/30/01/37/439300137.db2.gz QJERWFOVYVDFBO-CYBMUJFWSA-N 1 2 333.457 0.812 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(O[C@@H](C)C(N)=O)cc2)CC1 ZINC000490800572 439300907 /nfs/dbraw/zinc/30/09/07/439300907.db2.gz VCNASKFSBMUXQB-AWEZNQCLSA-N 1 2 345.399 0.095 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)CC1 ZINC000490871874 439305063 /nfs/dbraw/zinc/30/50/63/439305063.db2.gz CTHBZZINUKFJNB-YESZJQIVSA-N 1 2 335.448 0.032 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)CC1 ZINC000490871874 439305065 /nfs/dbraw/zinc/30/50/65/439305065.db2.gz CTHBZZINUKFJNB-YESZJQIVSA-N 1 2 335.448 0.032 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc(S(=O)(=O)NC)o1 ZINC000490873801 439308396 /nfs/dbraw/zinc/30/83/96/439308396.db2.gz KGIAAGZUAWHADS-LLVKDONJSA-N 1 2 326.374 0.442 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccc(S(=O)(=O)NC)o1 ZINC000490873801 439308402 /nfs/dbraw/zinc/30/84/02/439308402.db2.gz KGIAAGZUAWHADS-LLVKDONJSA-N 1 2 326.374 0.442 20 30 ECEDLO C#CC[N@@H+](C[C@H]1CC(C(=O)OC)=C(C)O1)[C@H]1CCS(=O)(=O)C1 ZINC000490921973 439311399 /nfs/dbraw/zinc/31/13/99/439311399.db2.gz BFMFVOVUXWNNCY-QWHCGFSZSA-N 1 2 327.402 0.345 20 30 ECEDLO C#CC[N@H+](C[C@H]1CC(C(=O)OC)=C(C)O1)[C@H]1CCS(=O)(=O)C1 ZINC000490921973 439311403 /nfs/dbraw/zinc/31/14/03/439311403.db2.gz BFMFVOVUXWNNCY-QWHCGFSZSA-N 1 2 327.402 0.345 20 30 ECEDLO C#C[C@@H](C)[N@H+](C)Cn1c2ccc(S(=O)(=O)N(C)C)cc2oc1=O ZINC000491286106 439362428 /nfs/dbraw/zinc/36/24/28/439362428.db2.gz GXEWCQCBXNXLMZ-LLVKDONJSA-N 1 2 337.401 0.756 20 30 ECEDLO C#C[C@@H](C)[N@@H+](C)Cn1c2ccc(S(=O)(=O)N(C)C)cc2oc1=O ZINC000491286106 439362434 /nfs/dbraw/zinc/36/24/34/439362434.db2.gz GXEWCQCBXNXLMZ-LLVKDONJSA-N 1 2 337.401 0.756 20 30 ECEDLO C=CCNC(=O)CN1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000582674005 439364614 /nfs/dbraw/zinc/36/46/14/439364614.db2.gz CFACNBYCZSNDQJ-UHFFFAOYSA-N 1 2 341.415 0.703 20 30 ECEDLO C[C@@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CC[S@@](=O)C1 ZINC000528478592 439340240 /nfs/dbraw/zinc/34/02/40/439340240.db2.gz UMTNEDPYKYVLTC-JBEBIEQOSA-N 1 2 344.436 0.986 20 30 ECEDLO C[C@@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CC[S@@](=O)C1 ZINC000528478592 439340244 /nfs/dbraw/zinc/34/02/44/439340244.db2.gz UMTNEDPYKYVLTC-JBEBIEQOSA-N 1 2 344.436 0.986 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](Cc2nc3ccccc3nc2C)CC1 ZINC000491164445 439342842 /nfs/dbraw/zinc/34/28/42/439342842.db2.gz BVJOYAIMPFCINA-UHFFFAOYSA-N 1 2 337.427 0.805 20 30 ECEDLO COc1cc(OCC(=O)N[C@](C)(C#N)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000593155210 439349092 /nfs/dbraw/zinc/34/90/92/439349092.db2.gz AQODPMJDBQLJTL-OAHLLOKOSA-N 1 2 336.348 0.942 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CC(=O)N2CCCC[C@@H]2CC)CC1 ZINC000491210167 439350497 /nfs/dbraw/zinc/35/04/97/439350497.db2.gz QUWFMPQXSIFBMM-INIZCTEOSA-N 1 2 334.464 0.145 20 30 ECEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000491340269 439368518 /nfs/dbraw/zinc/36/85/18/439368518.db2.gz WPIIDSCSICBTHO-HUUCEWRRSA-N 1 2 330.384 0.645 20 30 ECEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000491340269 439368523 /nfs/dbraw/zinc/36/85/23/439368523.db2.gz WPIIDSCSICBTHO-HUUCEWRRSA-N 1 2 330.384 0.645 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2ccc(C(=O)OC)c(F)c2)CC1 ZINC000491351151 439370495 /nfs/dbraw/zinc/37/04/95/439370495.db2.gz SBAGNSQBNSLHOG-UHFFFAOYSA-N 1 2 347.390 0.479 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](Cc2ccc(C(=O)OC)c(F)c2)CC1 ZINC000491351151 439370499 /nfs/dbraw/zinc/37/04/99/439370499.db2.gz SBAGNSQBNSLHOG-UHFFFAOYSA-N 1 2 347.390 0.479 20 30 ECEDLO C#CCN1C(=O)C[C@H]([NH+]2CCN(c3ccc(Cl)cn3)CC2)C1=O ZINC000491392142 439375702 /nfs/dbraw/zinc/37/57/02/439375702.db2.gz AEUFBNOXVHBPSE-ZDUSSCGKSA-N 1 2 332.791 0.618 20 30 ECEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000599196261 439379839 /nfs/dbraw/zinc/37/98/39/439379839.db2.gz XCNNXWAJXSGIOD-HNNXBMFYSA-N 1 2 344.419 0.115 20 30 ECEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000599196261 439379842 /nfs/dbraw/zinc/37/98/42/439379842.db2.gz XCNNXWAJXSGIOD-HNNXBMFYSA-N 1 2 344.419 0.115 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccc(C#N)nc1 ZINC000599229670 439390559 /nfs/dbraw/zinc/39/05/59/439390559.db2.gz HOWQWWKZPKMVBN-UHFFFAOYSA-N 1 2 327.388 0.570 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](CN2C(=O)N[C@H](CC(C)C)C2=O)CC1 ZINC000491517244 439398716 /nfs/dbraw/zinc/39/87/16/439398716.db2.gz XZRCUQYVJQZTSU-CQSZACIVSA-N 1 2 334.420 0.372 20 30 ECEDLO COCCNC(=O)CN1CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC000599248747 439400239 /nfs/dbraw/zinc/40/02/39/439400239.db2.gz NQZOZSXAXQIJBU-UHFFFAOYSA-N 1 2 330.432 0.747 20 30 ECEDLO C#CC[N@@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1CC1 ZINC000491662463 439421166 /nfs/dbraw/zinc/42/11/66/439421166.db2.gz HEDDCZGGYPRMCG-UHFFFAOYSA-N 1 2 335.429 0.090 20 30 ECEDLO C#CC[N@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1CC1 ZINC000491662463 439421171 /nfs/dbraw/zinc/42/11/71/439421171.db2.gz HEDDCZGGYPRMCG-UHFFFAOYSA-N 1 2 335.429 0.090 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@H](OC)C2)CC1 ZINC000491658754 439422311 /nfs/dbraw/zinc/42/23/11/439422311.db2.gz WIHBKBULVWFPQS-CVEARBPZSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@H](OC)C2)CC1 ZINC000491658754 439422317 /nfs/dbraw/zinc/42/23/17/439422317.db2.gz WIHBKBULVWFPQS-CVEARBPZSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(C)Cc2c(C)nn(C)c2Cl)CC1 ZINC000491677902 439427382 /nfs/dbraw/zinc/42/73/82/439427382.db2.gz RWJYOVSEOIQIEI-UHFFFAOYSA-N 1 2 337.855 0.591 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CC(=O)N(CC(C)C)C(C)C)CC1 ZINC000491697945 439430255 /nfs/dbraw/zinc/43/02/55/439430255.db2.gz RYEKTFPLRDJYBV-UHFFFAOYSA-N 1 2 336.480 0.246 20 30 ECEDLO CNC(=O)NC[C@@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)CCO1 ZINC000529644093 439433356 /nfs/dbraw/zinc/43/33/56/439433356.db2.gz RLQWUUJUURCESI-CQSZACIVSA-N 1 2 328.376 0.336 20 30 ECEDLO C#C[C@H](CC)NC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000491726376 439435740 /nfs/dbraw/zinc/43/57/40/439435740.db2.gz GEBHLIOIGAIMOB-OAHLLOKOSA-N 1 2 343.431 0.994 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O ZINC000570687509 439441863 /nfs/dbraw/zinc/44/18/63/439441863.db2.gz MGRITGRGAHSNHJ-KRWDZBQOSA-N 1 2 343.387 0.452 20 30 ECEDLO N#Cc1cccc2c1CN(S(=O)(=O)CCC[NH+]1CCOCC1)C2 ZINC000593671161 439443091 /nfs/dbraw/zinc/44/30/91/439443091.db2.gz LABMRECFYUCLSV-UHFFFAOYSA-N 1 2 335.429 0.926 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNS(=O)(=O)CCCCC#N ZINC000599387468 439451767 /nfs/dbraw/zinc/45/17/67/439451767.db2.gz MPZQPMUONIIOKU-OAHLLOKOSA-N 1 2 345.465 0.215 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNS(=O)(=O)CCCCC#N ZINC000599387468 439451777 /nfs/dbraw/zinc/45/17/77/439451777.db2.gz MPZQPMUONIIOKU-OAHLLOKOSA-N 1 2 345.465 0.215 20 30 ECEDLO Cc1oc(C#N)cc1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000529749596 439451705 /nfs/dbraw/zinc/45/17/05/439451705.db2.gz BBBDQRKNSPCELV-QGZVFWFLSA-N 1 2 333.388 0.805 20 30 ECEDLO Cc1oc(C#N)cc1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000529749596 439451711 /nfs/dbraw/zinc/45/17/11/439451711.db2.gz BBBDQRKNSPCELV-QGZVFWFLSA-N 1 2 333.388 0.805 20 30 ECEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000529755194 439452338 /nfs/dbraw/zinc/45/23/38/439452338.db2.gz ZMJBVXMYRRIZCI-IIDMSEBBSA-N 1 2 338.448 0.700 20 30 ECEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000529755194 439452342 /nfs/dbraw/zinc/45/23/42/439452342.db2.gz ZMJBVXMYRRIZCI-IIDMSEBBSA-N 1 2 338.448 0.700 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2nncn2C)CC1 ZINC000594026729 439510348 /nfs/dbraw/zinc/51/03/48/439510348.db2.gz NYLQJNONAMYJDC-BBRMVZONSA-N 1 2 333.440 0.380 20 30 ECEDLO COC[C@@]1(C(=O)OC)CCC[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000599475006 439483019 /nfs/dbraw/zinc/48/30/19/439483019.db2.gz XORVNISEGAWFEL-CRAIPNDOSA-N 1 2 348.399 0.952 20 30 ECEDLO COC[C@@]1(C(=O)OC)CCC[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000599475006 439483021 /nfs/dbraw/zinc/48/30/21/439483021.db2.gz XORVNISEGAWFEL-CRAIPNDOSA-N 1 2 348.399 0.952 20 30 ECEDLO Cc1cc(NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)c(C#N)c[nH+]1 ZINC000571635896 439518391 /nfs/dbraw/zinc/51/83/91/439518391.db2.gz ZSVAAAXEENQDKL-AWEZNQCLSA-N 1 2 337.449 0.756 20 30 ECEDLO C[C@@H](C(=O)NCC1CC[NH+](CC(F)F)CC1)n1cnc(C#N)n1 ZINC000594360993 439547477 /nfs/dbraw/zinc/54/74/77/439547477.db2.gz HBLJFYCKTYGFEW-JTQLQIEISA-N 1 2 326.351 0.804 20 30 ECEDLO N#Cc1ccnc(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)c1 ZINC000584131864 439553239 /nfs/dbraw/zinc/55/32/39/439553239.db2.gz PAMDVYBSWIHYHK-UHFFFAOYSA-N 1 2 341.415 0.627 20 30 ECEDLO C[N@@H+]1CCO[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 ZINC000492928208 439590623 /nfs/dbraw/zinc/59/06/23/439590623.db2.gz DMWXNLSKAQCAGZ-STQMWFEESA-N 1 2 338.408 0.288 20 30 ECEDLO C[N@H+]1CCO[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 ZINC000492928208 439590629 /nfs/dbraw/zinc/59/06/29/439590629.db2.gz DMWXNLSKAQCAGZ-STQMWFEESA-N 1 2 338.408 0.288 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)CCN1CCCS1(=O)=O ZINC000610604431 439630404 /nfs/dbraw/zinc/63/04/04/439630404.db2.gz RTGYTXXRXZKHCG-AWEZNQCLSA-N 1 2 330.454 0.008 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CCN1CCCS1(=O)=O ZINC000610604431 439630409 /nfs/dbraw/zinc/63/04/09/439630409.db2.gz RTGYTXXRXZKHCG-AWEZNQCLSA-N 1 2 330.454 0.008 20 30 ECEDLO COCCN(CCC#N)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000610492124 439620916 /nfs/dbraw/zinc/62/09/16/439620916.db2.gz VHWNANJONWTSLD-UHFFFAOYSA-N 1 2 331.420 0.592 20 30 ECEDLO N#Cc1ccc(NCC(=O)NCC2CC[NH+](CC(F)F)CC2)nc1 ZINC000574583050 439714623 /nfs/dbraw/zinc/71/46/23/439714623.db2.gz CTGOVOMYOXMTPJ-UHFFFAOYSA-N 1 2 337.374 1.458 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](CC[C@H]3CCS(=O)(=O)C3)CC2)nc1 ZINC000611170377 439676392 /nfs/dbraw/zinc/67/63/92/439676392.db2.gz GPKFBJUCFXPEAM-AWEZNQCLSA-N 1 2 334.445 0.900 20 30 ECEDLO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCN(CCC#N)CC1 ZINC000611176199 439677514 /nfs/dbraw/zinc/67/75/14/439677514.db2.gz VQKPILOXNIJHII-JTQLQIEISA-N 1 2 335.330 0.294 20 30 ECEDLO CNC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000613500598 439757954 /nfs/dbraw/zinc/75/79/54/439757954.db2.gz KDWYZBCUAGTGHB-VXGBXAGGSA-N 1 2 333.417 0.728 20 30 ECEDLO CNC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000613500598 439757955 /nfs/dbraw/zinc/75/79/55/439757955.db2.gz KDWYZBCUAGTGHB-VXGBXAGGSA-N 1 2 333.417 0.728 20 30 ECEDLO CC(C)(C#N)c1ccc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC000614174351 439771369 /nfs/dbraw/zinc/77/13/69/439771369.db2.gz PALMHZYULQJRJR-HNNXBMFYSA-N 1 2 326.400 0.630 20 30 ECEDLO CC(C)(C#N)c1ccc(C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC000614174351 439771370 /nfs/dbraw/zinc/77/13/70/439771370.db2.gz PALMHZYULQJRJR-HNNXBMFYSA-N 1 2 326.400 0.630 20 30 ECEDLO N#Cc1cccc(N2CC[NH+](CC[C@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000612830886 439743160 /nfs/dbraw/zinc/74/31/60/439743160.db2.gz IWUIWCPIBUOROM-AWEZNQCLSA-N 1 2 334.445 0.900 20 30 ECEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000614919265 439790048 /nfs/dbraw/zinc/79/00/48/439790048.db2.gz AXMHAKYPUUADJK-OIISXLGYSA-N 1 2 348.399 0.491 20 30 ECEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000614919265 439790049 /nfs/dbraw/zinc/79/00/49/439790049.db2.gz AXMHAKYPUUADJK-OIISXLGYSA-N 1 2 348.399 0.491 20 30 ECEDLO Cc1nn(C)c(N2CCN(C(=O)CCCn3cc[nH+]c3)CC2)c1C#N ZINC000615966087 439810290 /nfs/dbraw/zinc/81/02/90/439810290.db2.gz WEFIYCMMEPYIPN-UHFFFAOYSA-N 1 2 341.419 0.926 20 30 ECEDLO C=CC(C)(C)CCNC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000637041117 440141722 /nfs/dbraw/zinc/14/17/22/440141722.db2.gz QXJMEAOETICDRF-UHFFFAOYSA-N 1 2 325.453 0.932 20 30 ECEDLO C=CC(C)(C)CCNC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000637041117 440141728 /nfs/dbraw/zinc/14/17/28/440141728.db2.gz QXJMEAOETICDRF-UHFFFAOYSA-N 1 2 325.453 0.932 20 30 ECEDLO C=CCNC(=O)CNc1nc(NCC(=O)NCC=C)c(F)c(C)[nH+]1 ZINC000663776302 440171778 /nfs/dbraw/zinc/17/17/78/440171778.db2.gz MLLFLNTWWNAEMZ-UHFFFAOYSA-N 1 2 336.371 0.352 20 30 ECEDLO C=CCCn1cc(C[NH+]2CCC(n3cnc(C(N)=O)c3N)CC2)nn1 ZINC000653662739 440226683 /nfs/dbraw/zinc/22/66/83/440226683.db2.gz QBFJADUPPVXQRN-UHFFFAOYSA-N 1 2 344.423 0.569 20 30 ECEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)nn1 ZINC000653573000 440208013 /nfs/dbraw/zinc/20/80/13/440208013.db2.gz MZNGJYBTOIOPJW-ZDUSSCGKSA-N 1 2 327.454 0.615 20 30 ECEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)nn1 ZINC000653573000 440208017 /nfs/dbraw/zinc/20/80/17/440208017.db2.gz MZNGJYBTOIOPJW-ZDUSSCGKSA-N 1 2 327.454 0.615 20 30 ECEDLO CC#CC[C@@H](CO)NC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000637413103 440263344 /nfs/dbraw/zinc/26/33/44/440263344.db2.gz NNQJVWUENVUFTE-AWEZNQCLSA-N 1 2 333.436 1.394 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc3oc(=O)n(C)c3c2)CC1 ZINC000637880451 440355192 /nfs/dbraw/zinc/35/51/92/440355192.db2.gz NTXJCSIGJCJJNA-UHFFFAOYSA-N 1 2 344.415 0.551 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2cccn(C(F)F)c2=O)CC1 ZINC000637880259 440356731 /nfs/dbraw/zinc/35/67/31/440356731.db2.gz GWVOJTLCFNFQCJ-UHFFFAOYSA-N 1 2 340.374 0.663 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cccn(C(F)F)c2=O)CC1 ZINC000637880259 440356736 /nfs/dbraw/zinc/35/67/36/440356736.db2.gz GWVOJTLCFNFQCJ-UHFFFAOYSA-N 1 2 340.374 0.663 20 30 ECEDLO C=CCOCCCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000666125285 440585737 /nfs/dbraw/zinc/58/57/37/440585737.db2.gz XMIZJFWMJWXBDG-UHFFFAOYSA-N 1 2 337.424 0.930 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000645067765 440742754 /nfs/dbraw/zinc/74/27/54/440742754.db2.gz MXVSFVHTOLJUHA-JQFCIGGWSA-N 1 2 343.427 0.997 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000645067765 440742758 /nfs/dbraw/zinc/74/27/58/440742758.db2.gz MXVSFVHTOLJUHA-JQFCIGGWSA-N 1 2 343.427 0.997 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)nn1 ZINC000641001835 441044267 /nfs/dbraw/zinc/04/42/67/441044267.db2.gz NEBUGEOEPREHNH-JKSUJKDBSA-N 1 2 331.420 0.561 20 30 ECEDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ncc(C#N)cc2C)C[C@@H]1C ZINC000560353717 322235559 /nfs/dbraw/zinc/23/55/59/322235559.db2.gz NNDBQKIGCVVDDB-ZDUSSCGKSA-N 1 2 330.388 0.971 20 30 ECEDLO COC(=O)CC[N@H+]1CCN(C(=O)c2ncc(C#N)cc2C)C[C@@H]1C ZINC000560353717 322235562 /nfs/dbraw/zinc/23/55/62/322235562.db2.gz NNDBQKIGCVVDDB-ZDUSSCGKSA-N 1 2 330.388 0.971 20 30 ECEDLO CC[C@@H](C(=O)OC)N1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000563149097 322301265 /nfs/dbraw/zinc/30/12/65/322301265.db2.gz FDBIUNUFQVUCIG-HNNXBMFYSA-N 1 2 342.403 0.670 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccnc(C#N)n2)CC1 ZINC000576715392 322814242 /nfs/dbraw/zinc/81/42/42/322814242.db2.gz IJNKBGZXHOFLHD-ZDUSSCGKSA-N 1 2 332.408 0.011 20 30 ECEDLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NC[C@H]1COCCO1 ZINC000328794354 546006927 /nfs/dbraw/zinc/00/69/27/546006927.db2.gz SKXSANVSKBCNLI-SJORKVTESA-N 1 2 349.431 0.806 20 30 ECEDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NC[C@H]1COCCO1 ZINC000328794354 546006930 /nfs/dbraw/zinc/00/69/30/546006930.db2.gz SKXSANVSKBCNLI-SJORKVTESA-N 1 2 349.431 0.806 20 30 ECEDLO Cc1nn(C)cc1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000328924223 546009870 /nfs/dbraw/zinc/00/98/70/546009870.db2.gz NNVARIJPNXKKQK-UHFFFAOYSA-N 1 2 333.436 0.977 20 30 ECEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)Cc2ccc(-n3cnnn3)cc2)C1 ZINC000329367327 546022416 /nfs/dbraw/zinc/02/24/16/546022416.db2.gz KVMNPLVZNXNVKH-HNNXBMFYSA-N 1 2 329.408 0.407 20 30 ECEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)Cc2ccc(-n3cnnn3)cc2)C1 ZINC000329367327 546022423 /nfs/dbraw/zinc/02/24/23/546022423.db2.gz KVMNPLVZNXNVKH-HNNXBMFYSA-N 1 2 329.408 0.407 20 30 ECEDLO CCOC1CC(CNC(=O)[C@H]2CCC(=O)N2C)([NH+]2CCOCC2)C1 ZINC000329520306 546026464 /nfs/dbraw/zinc/02/64/64/546026464.db2.gz QIECXTFEANEPIB-XOYHFGRZSA-N 1 2 339.436 0.834 20 30 ECEDLO Cc1nnc([C@@H]2CCCN(C(=O)NC[C@@H](C)[NH+]3CCOCC3)C2)[nH]1 ZINC000330092144 546039144 /nfs/dbraw/zinc/03/91/44/546039144.db2.gz YIYUZDNQSYKWLR-TZMCWYRMSA-N 1 2 336.440 0.927 20 30 ECEDLO CNC(=O)NC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000619647449 546354776 /nfs/dbraw/zinc/35/47/76/546354776.db2.gz PXCLGTBZGOAVKX-DOMZBBRYSA-N 1 2 347.394 0.852 20 30 ECEDLO C=C[C@@](C)(O)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000668100719 547588930 /nfs/dbraw/zinc/58/89/30/547588930.db2.gz WAKBYWQNSSQHLL-GOSISDBHSA-N 1 2 347.415 0.624 20 30 ECEDLO C#CC[N@H+]1CC[C@]2(CCN(C(=O)c3cn[nH]c3-c3cnn(C)c3)C2)C1 ZINC001041779239 782185767 /nfs/dbraw/zinc/18/57/67/782185767.db2.gz OFLHWUTZMFWZSL-SFHVURJKSA-N 1 2 338.415 0.981 20 30 ECEDLO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cn[nH]c3-c3cnn(C)c3)C2)C1 ZINC001041779239 782185782 /nfs/dbraw/zinc/18/57/82/782185782.db2.gz OFLHWUTZMFWZSL-SFHVURJKSA-N 1 2 338.415 0.981 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@H](C(F)(F)F)O[C@@H](C)C2)CC1 ZINC000748823500 579329509 /nfs/dbraw/zinc/32/95/09/579329509.db2.gz AKNYCFVWDPJGQR-QWHCGFSZSA-N 1 2 333.354 0.415 20 30 ECEDLO C#CCOCCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000753227889 579397351 /nfs/dbraw/zinc/39/73/51/579397351.db2.gz PQSFMQYTIYWSFF-UHFFFAOYSA-N 1 2 344.415 0.276 20 30 ECEDLO C[C@@H](Nc1cccc(S(N)(=O)=O)c1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000754993809 579427466 /nfs/dbraw/zinc/42/74/66/579427466.db2.gz QJNZKRRFTBBUGB-NEPJUHHUSA-N 1 2 338.433 0.727 20 30 ECEDLO CN(C)c1ncc(C=NNC(=S)NCC[NH+]2CCOCC2)s1 ZINC000755499762 579434265 /nfs/dbraw/zinc/43/42/65/579434265.db2.gz SWZZVJBQHOJHRY-UHFFFAOYSA-N 1 2 342.494 0.339 20 30 ECEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000755953504 579442394 /nfs/dbraw/zinc/44/23/94/579442394.db2.gz AGWKGXYBHZTHAT-FYSMJZIKSA-N 1 2 349.456 0.768 20 30 ECEDLO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000758192363 579468384 /nfs/dbraw/zinc/46/83/84/579468384.db2.gz KUNNPWODAHKVKW-GJZGRUSLSA-N 1 2 346.431 0.849 20 30 ECEDLO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000758192363 579468385 /nfs/dbraw/zinc/46/83/85/579468385.db2.gz KUNNPWODAHKVKW-GJZGRUSLSA-N 1 2 346.431 0.849 20 30 ECEDLO C=CCn1nnn(CN2CCN(c3cc[nH+]c(C)n3)CC2)c1=S ZINC000758981095 579484419 /nfs/dbraw/zinc/48/44/19/579484419.db2.gz PPNYFRQNPUIGFN-UHFFFAOYSA-N 1 2 332.437 0.873 20 30 ECEDLO COC(=O)C1=C(C)O[C@H](CN(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000759851763 579499501 /nfs/dbraw/zinc/49/95/01/579499501.db2.gz CTRMYOZFUHGHCD-HNNXBMFYSA-N 1 2 337.420 0.770 20 30 ECEDLO COC(=O)C1=C(C)O[C@H](C[N@H+](CCC#N)CCN2CCOCC2)C1 ZINC000759851763 579499502 /nfs/dbraw/zinc/49/95/02/579499502.db2.gz CTRMYOZFUHGHCD-HNNXBMFYSA-N 1 2 337.420 0.770 20 30 ECEDLO COC(=O)C1=C(C)O[C@H](C[N@@H+](CCC#N)CCN2CCOCC2)C1 ZINC000759851763 579499503 /nfs/dbraw/zinc/49/95/03/579499503.db2.gz CTRMYOZFUHGHCD-HNNXBMFYSA-N 1 2 337.420 0.770 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cnc3ccc(F)cc3c2=O)CC1 ZINC000725906216 578135233 /nfs/dbraw/zinc/13/52/33/578135233.db2.gz ZKGWJJATJYPVKT-UHFFFAOYSA-N 1 2 328.347 0.313 20 30 ECEDLO C=CCn1nnn(CN2CC[NH+](Cc3cnn(C)c3)CC2)c1=S ZINC000729989237 578302088 /nfs/dbraw/zinc/30/20/88/578302088.db2.gz UCBJIICZHHZXJM-UHFFFAOYSA-N 1 2 334.453 0.504 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(N2C(=O)CNC2=O)c1 ZINC000732058481 578318556 /nfs/dbraw/zinc/31/85/56/578318556.db2.gz ZIUGANNJUHFPIN-AWEZNQCLSA-N 1 2 326.356 0.779 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(N2C(=O)CNC2=O)c1 ZINC000732058481 578318557 /nfs/dbraw/zinc/31/85/57/578318557.db2.gz ZIUGANNJUHFPIN-AWEZNQCLSA-N 1 2 326.356 0.779 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000732667219 578328515 /nfs/dbraw/zinc/32/85/15/578328515.db2.gz LHENAHVUPUQWSV-INIZCTEOSA-N 1 2 335.835 0.740 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000732667219 578328517 /nfs/dbraw/zinc/32/85/17/578328517.db2.gz LHENAHVUPUQWSV-INIZCTEOSA-N 1 2 335.835 0.740 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2ccc(OCC(=O)NC)c(OC)c2)CC1 ZINC000733162120 578333096 /nfs/dbraw/zinc/33/30/96/578333096.db2.gz HTAAYVDVJFFXHS-UHFFFAOYSA-N 1 2 345.399 0.211 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)N1CCS(=O)CC1 ZINC000733974328 578350760 /nfs/dbraw/zinc/35/07/60/578350760.db2.gz MVUKMDJPFHGGNN-AWEZNQCLSA-N 1 2 325.478 0.043 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)N1CCS(=O)CC1 ZINC000733974328 578350761 /nfs/dbraw/zinc/35/07/61/578350761.db2.gz MVUKMDJPFHGGNN-AWEZNQCLSA-N 1 2 325.478 0.043 20 30 ECEDLO CN(C[C@H]1CCC[N@H+](Cn2cccc(C#N)c2=O)C1)S(C)(=O)=O ZINC000795650874 578618108 /nfs/dbraw/zinc/61/81/08/578618108.db2.gz GJWYTFQMTDULSW-CYBMUJFWSA-N 1 2 338.433 0.281 20 30 ECEDLO CN(C[C@H]1CCC[N@@H+](Cn2cccc(C#N)c2=O)C1)S(C)(=O)=O ZINC000795650874 578618109 /nfs/dbraw/zinc/61/81/09/578618109.db2.gz GJWYTFQMTDULSW-CYBMUJFWSA-N 1 2 338.433 0.281 20 30 ECEDLO C#CCC[C@@H](O)CNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000798359876 578644723 /nfs/dbraw/zinc/64/47/23/578644723.db2.gz PJZXWLIGVBVRRV-GDBMZVCRSA-N 1 2 346.431 0.880 20 30 ECEDLO C#CCC[C@@H](O)CNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000798383793 578644933 /nfs/dbraw/zinc/64/49/33/578644933.db2.gz CWAOUUBSNRQQEI-GDBMZVCRSA-N 1 2 341.477 0.268 20 30 ECEDLO C[S@@](=O)CC[NH+]1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000780949660 578703556 /nfs/dbraw/zinc/70/35/56/578703556.db2.gz LZXXNKQGJWXIPI-NPMXOYFQSA-N 1 2 335.429 0.114 20 30 ECEDLO C[C@H]1C[N@H+](CCNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)CCO1 ZINC000781370157 578708402 /nfs/dbraw/zinc/70/84/02/578708402.db2.gz GWNJTASWMRFQKF-LBPRGKRZSA-N 1 2 349.439 0.158 20 30 ECEDLO C[C@H]1C[N@@H+](CCNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)CCO1 ZINC000781370157 578708403 /nfs/dbraw/zinc/70/84/03/578708403.db2.gz GWNJTASWMRFQKF-LBPRGKRZSA-N 1 2 349.439 0.158 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1)[C@@H]1CCCO1 ZINC000787632544 578811621 /nfs/dbraw/zinc/81/16/21/578811621.db2.gz DHAIDTRUYGJSRK-KBPBESRZSA-N 1 2 330.388 0.061 20 30 ECEDLO C=CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1)c1ccncc1 ZINC000787757056 578815664 /nfs/dbraw/zinc/81/56/64/578815664.db2.gz LSTOHQQPGKMKHM-HOCLYGCPSA-N 1 2 346.431 0.652 20 30 ECEDLO C#CCn1ccc(C[N@H+](CCOC)CC[C@H]2CCS(=O)(=O)C2)n1 ZINC000789323207 578851708 /nfs/dbraw/zinc/85/17/08/578851708.db2.gz XRDJTQIAKUGDCV-HNNXBMFYSA-N 1 2 339.461 0.790 20 30 ECEDLO C#CCn1ccc(C[N@@H+](CCOC)CC[C@H]2CCS(=O)(=O)C2)n1 ZINC000789323207 578851709 /nfs/dbraw/zinc/85/17/09/578851709.db2.gz XRDJTQIAKUGDCV-HNNXBMFYSA-N 1 2 339.461 0.790 20 30 ECEDLO C[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1nnnn1C1CC1 ZINC000792469869 578909195 /nfs/dbraw/zinc/90/91/95/578909195.db2.gz CYEVFYRFKPVNBH-LLVKDONJSA-N 1 2 325.376 0.847 20 30 ECEDLO O=C(NCCNC(=O)C1N=CC=CC1=O)c1cccc2[nH+]ccn21 ZINC000770415459 579166189 /nfs/dbraw/zinc/16/61/89/579166189.db2.gz DDGLQERKNIDIRZ-PEZBUJJGSA-N 1 2 325.328 0.591 20 30 ECEDLO C#CCOc1ccccc1NC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000773290463 579223994 /nfs/dbraw/zinc/22/39/94/579223994.db2.gz MQMLKOSMJYUWGL-AWEZNQCLSA-N 1 2 345.399 0.474 20 30 ECEDLO C#CCOc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000773290463 579223995 /nfs/dbraw/zinc/22/39/95/579223995.db2.gz MQMLKOSMJYUWGL-AWEZNQCLSA-N 1 2 345.399 0.474 20 30 ECEDLO C#C[C@H](NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[C@H]1CCCO1 ZINC000773562387 579230255 /nfs/dbraw/zinc/23/02/55/579230255.db2.gz VZOANTWTQGOOKH-JKSUJKDBSA-N 1 2 344.415 0.898 20 30 ECEDLO N#CCc1ccccc1CC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000777411231 579297986 /nfs/dbraw/zinc/29/79/86/579297986.db2.gz YOFAAXQXVJOHCS-UHFFFAOYSA-N 1 2 331.416 0.448 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2cn(C)nc2-c2cnn(CC)c2)CC1 ZINC000778826176 579311445 /nfs/dbraw/zinc/31/14/45/579311445.db2.gz JPVSADFLHGKMLX-UHFFFAOYSA-N 1 2 326.404 0.695 20 30 ECEDLO N#Cc1cccc(N2CC[NH+](CC(=O)NCc3ccccn3)CC2)n1 ZINC000760913020 579517448 /nfs/dbraw/zinc/51/74/48/579517448.db2.gz LIROIENGMQXVNM-UHFFFAOYSA-N 1 2 336.399 0.787 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000761030667 579519768 /nfs/dbraw/zinc/51/97/68/579519768.db2.gz IVSBAIIBYMTTMB-UHFFFAOYSA-N 1 2 348.428 0.022 20 30 ECEDLO N#Cc1cnn2c1NC[C@H](C[NH2+]CCC[NH+]1CCN(C(=O)[O-])CC1)C2 ZINC000740322380 579737841 /nfs/dbraw/zinc/73/78/41/579737841.db2.gz CGEJJAAHUBQNGV-ZDUSSCGKSA-N 1 2 347.423 0.072 20 30 ECEDLO C#CCNC(=O)[C@H](C)OC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741354208 579772635 /nfs/dbraw/zinc/77/26/35/579772635.db2.gz MPHUISCUKYGVOD-DOTOQJQBSA-N 1 2 344.411 0.959 20 30 ECEDLO C#CCNC(=O)[C@H](C)OC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741354208 579772637 /nfs/dbraw/zinc/77/26/37/579772637.db2.gz MPHUISCUKYGVOD-DOTOQJQBSA-N 1 2 344.411 0.959 20 30 ECEDLO N#CCCNC(=O)COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741383256 579773053 /nfs/dbraw/zinc/77/30/53/579773053.db2.gz UMGOFAQFIAAERQ-OAHLLOKOSA-N 1 2 331.372 0.460 20 30 ECEDLO N#CCCNC(=O)COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741383256 579773054 /nfs/dbraw/zinc/77/30/54/579773054.db2.gz UMGOFAQFIAAERQ-OAHLLOKOSA-N 1 2 331.372 0.460 20 30 ECEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)c1cnc(C)nc1C ZINC000741459000 579774740 /nfs/dbraw/zinc/77/47/40/579774740.db2.gz XTGSNWQMGOPKTK-UHFFFAOYSA-N 1 2 336.465 0.614 20 30 ECEDLO CC1(C)COCC[N@@H+]1CCNc1ccc(S(N)(=O)=O)cc1C#N ZINC000742401379 579786920 /nfs/dbraw/zinc/78/69/20/579786920.db2.gz SPQNGZBHWUVTSF-UHFFFAOYSA-N 1 2 338.433 0.728 20 30 ECEDLO CC1(C)COCC[N@H+]1CCNc1ccc(S(N)(=O)=O)cc1C#N ZINC000742401379 579786922 /nfs/dbraw/zinc/78/69/22/579786922.db2.gz SPQNGZBHWUVTSF-UHFFFAOYSA-N 1 2 338.433 0.728 20 30 ECEDLO C[NH+](C)CCCNC(=O)C[C@@H]1S/C(=N/C[C@H]2CCCO2)NC1=O ZINC000743276933 579796171 /nfs/dbraw/zinc/79/61/71/579796171.db2.gz DWZGGOKPMMXBNA-NEPJUHHUSA-N 1 2 342.465 0.211 20 30 ECEDLO C#CCC[NH+]1CCC(NC(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)CC1 ZINC000743493080 579798435 /nfs/dbraw/zinc/79/84/35/579798435.db2.gz GWXIONDKCGVBKN-UHFFFAOYSA-N 1 2 341.371 0.654 20 30 ECEDLO C#CCNC(=O)[C@H](C)OC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000744962797 579816881 /nfs/dbraw/zinc/81/68/81/579816881.db2.gz DCKNSQGNDBFDSG-YOEHRIQHSA-N 1 2 344.411 0.866 20 30 ECEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cnn(CC#N)c1 ZINC000746355119 579836847 /nfs/dbraw/zinc/83/68/47/579836847.db2.gz RBTLKGXRORIGSP-ZDUSSCGKSA-N 1 2 343.391 0.773 20 30 ECEDLO C=CC[N@@H+](C)CC(=O)NN1C(=O)N[C@@](CC)(c2ccccc2)C1=O ZINC000121447413 588932617 /nfs/dbraw/zinc/93/26/17/588932617.db2.gz WFELJUUPQOJHPQ-KRWDZBQOSA-N 1 2 330.388 0.993 20 30 ECEDLO C=CC[N@H+](C)CC(=O)NN1C(=O)N[C@@](CC)(c2ccccc2)C1=O ZINC000121447413 588932618 /nfs/dbraw/zinc/93/26/18/588932618.db2.gz WFELJUUPQOJHPQ-KRWDZBQOSA-N 1 2 330.388 0.993 20 30 ECEDLO C[C@H]1C[NH+]=C(NN=C2C(=O)Nc3cc(O)c(Br)cc32)N1 ZINC000841634143 588996637 /nfs/dbraw/zinc/99/66/37/588996637.db2.gz OLSYEQMRNYRACO-YFKPBYRVSA-N 1 2 338.165 0.748 20 30 ECEDLO C#C[C@H](NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)c1ccc(F)cc1 ZINC000867293285 589030368 /nfs/dbraw/zinc/03/03/68/589030368.db2.gz IRSQFCFXBHRTCV-CABCVRRESA-N 1 2 326.393 0.750 20 30 ECEDLO C#C[C@H](NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)c1ccc(F)cc1 ZINC000867293285 589030369 /nfs/dbraw/zinc/03/03/69/589030369.db2.gz IRSQFCFXBHRTCV-CABCVRRESA-N 1 2 326.393 0.750 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)NC(=O)C3)C1 ZINC000891601037 586180429 /nfs/dbraw/zinc/18/04/29/586180429.db2.gz FEHLQKGWMGTKRT-AWEZNQCLSA-N 1 2 340.383 0.334 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)NC(=O)C3)C1 ZINC000891601037 586180432 /nfs/dbraw/zinc/18/04/32/586180432.db2.gz FEHLQKGWMGTKRT-AWEZNQCLSA-N 1 2 340.383 0.334 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC)c(F)c2)C1 ZINC000891605766 586181559 /nfs/dbraw/zinc/18/15/59/586181559.db2.gz HTYLPLGSKPGMBG-CYBMUJFWSA-N 1 2 333.363 0.987 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC)c(F)c2)C1 ZINC000891605766 586181560 /nfs/dbraw/zinc/18/15/60/586181560.db2.gz HTYLPLGSKPGMBG-CYBMUJFWSA-N 1 2 333.363 0.987 20 30 ECEDLO C#CC1(O)CN(C(=O)NC[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)C1 ZINC000891876140 586202417 /nfs/dbraw/zinc/20/24/17/586202417.db2.gz KNXBJYIPTQMITJ-KRWDZBQOSA-N 1 2 343.427 0.758 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(OCC=C)cc2)CC1 ZINC000895915597 586212052 /nfs/dbraw/zinc/21/20/52/586212052.db2.gz CYKMEIPFCUQOBV-UHFFFAOYSA-N 1 2 349.456 0.837 20 30 ECEDLO Cc1nc(N2CC[NH+](C[C@@H]3CCCS3(=O)=O)CC2)ccc1C#N ZINC000894753903 586409438 /nfs/dbraw/zinc/40/94/38/586409438.db2.gz NRECFYBGPXEBBH-HNNXBMFYSA-N 1 2 334.445 0.961 20 30 ECEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899052953 586464922 /nfs/dbraw/zinc/46/49/22/586464922.db2.gz JKUOPFXMTKFFAP-CQSZACIVSA-N 1 2 345.399 0.891 20 30 ECEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899052953 586464924 /nfs/dbraw/zinc/46/49/24/586464924.db2.gz JKUOPFXMTKFFAP-CQSZACIVSA-N 1 2 345.399 0.891 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc(C#CCO)c1 ZINC000900457107 586632533 /nfs/dbraw/zinc/63/25/33/586632533.db2.gz SHZJXODLRSZXFO-UHFFFAOYSA-N 1 2 341.411 0.718 20 30 ECEDLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccsc1C#N ZINC000903497763 586780514 /nfs/dbraw/zinc/78/05/14/586780514.db2.gz PAQJNKQWSOVWPE-SNVBAGLBSA-N 1 2 337.430 0.688 20 30 ECEDLO COC(=O)Cn1cc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)nn1 ZINC000905084913 586867482 /nfs/dbraw/zinc/86/74/82/586867482.db2.gz NFTZYBIZCDMCCX-SNAWJCMRSA-N 1 2 335.389 0.865 20 30 ECEDLO CCS(=O)(=O)N1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000805771328 586938335 /nfs/dbraw/zinc/93/83/35/586938335.db2.gz GCRYXZSOZVGLCP-CJNGLKHVSA-N 1 2 337.445 0.947 20 30 ECEDLO CCS(=O)(=O)N1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000805771328 586938337 /nfs/dbraw/zinc/93/83/37/586938337.db2.gz GCRYXZSOZVGLCP-CJNGLKHVSA-N 1 2 337.445 0.947 20 30 ECEDLO Cc1cc(C#N)ccc1C(=O)O[C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000805968070 586948801 /nfs/dbraw/zinc/94/88/01/586948801.db2.gz KDWGIDWNKQJCRU-AWEZNQCLSA-N 1 2 345.399 0.860 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000906996087 587004218 /nfs/dbraw/zinc/00/42/18/587004218.db2.gz CCGNKXBLSROADU-ULQDDVLXSA-N 1 2 338.448 0.917 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)nc1 ZINC000907106152 587013483 /nfs/dbraw/zinc/01/34/83/587013483.db2.gz ZMROQGONTSPNQW-ZIAGYGMSSA-N 1 2 336.417 0.173 20 30 ECEDLO C=CCN1CCN(CN2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)C1=O ZINC000840026596 587080044 /nfs/dbraw/zinc/08/00/44/587080044.db2.gz WDPPCDIKIHKCDF-MRXNPFEDSA-N 1 2 349.479 0.496 20 30 ECEDLO C=CCN1CCN(C[N@H+]2CC[C@@H](n3cc(C(=O)OC)nn3)C2)C1=O ZINC000840048477 587086705 /nfs/dbraw/zinc/08/67/05/587086705.db2.gz MWHQENFHOVVRRM-GFCCVEGCSA-N 1 2 334.380 0.193 20 30 ECEDLO C=CCN1CCN(C[N@@H+]2CC[C@@H](n3cc(C(=O)OC)nn3)C2)C1=O ZINC000840048477 587086706 /nfs/dbraw/zinc/08/67/06/587086706.db2.gz MWHQENFHOVVRRM-GFCCVEGCSA-N 1 2 334.380 0.193 20 30 ECEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1ccccc1CC#N ZINC000807280324 587123350 /nfs/dbraw/zinc/12/33/50/587123350.db2.gz FZELGORMFYMIJN-OAHLLOKOSA-N 1 2 326.356 0.850 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)[C@H]1CCCO1 ZINC000809310816 587174714 /nfs/dbraw/zinc/17/47/14/587174714.db2.gz SCVSUSVJPQZELV-OWCLPIDISA-N 1 2 343.383 0.358 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCO1 ZINC000809312514 587174874 /nfs/dbraw/zinc/17/48/74/587174874.db2.gz NQVOSPQCGHKVAM-CABCVRRESA-N 1 2 342.399 0.027 20 30 ECEDLO N#CC[C@@H](O)C[NH+]1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000809574399 587180129 /nfs/dbraw/zinc/18/01/29/587180129.db2.gz KKBQZOGEDIVLPW-IAGOWNOFSA-N 1 2 328.416 0.684 20 30 ECEDLO CON=CC(=O)N(C)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000809666982 587181197 /nfs/dbraw/zinc/18/11/97/587181197.db2.gz OMBVVKUOUPXWGH-UHFFFAOYSA-N 1 2 328.413 0.630 20 30 ECEDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cccc(C#N)n2)CC1 ZINC000810376464 587194269 /nfs/dbraw/zinc/19/42/69/587194269.db2.gz NBIIIAZMXGBEQC-UHFFFAOYSA-N 1 2 336.417 0.192 20 30 ECEDLO COc1ncc(C=NNC(=S)NCC[NH+]2CCOCC2)s1 ZINC000812223102 587232898 /nfs/dbraw/zinc/23/28/98/587232898.db2.gz WKZXJDHAJQLJHI-UHFFFAOYSA-N 1 2 329.451 0.282 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1ncc(Cl)s1 ZINC000814716902 587278966 /nfs/dbraw/zinc/27/89/66/587278966.db2.gz LEHPLQJKOWUBPF-UHFFFAOYSA-N 1 2 333.870 0.927 20 30 ECEDLO Cn1c(N)nc(Cl)c1C=[NH+]Nc1ccccc1S(N)(=O)=O ZINC000814917955 587280219 /nfs/dbraw/zinc/28/02/19/587280219.db2.gz XFPXYMLSQUWSBH-UHFFFAOYSA-N 1 2 328.785 0.749 20 30 ECEDLO CN(C)c1cc(C#N)cc(C(=O)N2CC[NH+](CC[S@](C)=O)CC2)c1 ZINC000815679163 587295460 /nfs/dbraw/zinc/29/54/60/587295460.db2.gz AHWIYDNGTWXDDD-DEOSSOPVSA-N 1 2 348.472 0.761 20 30 ECEDLO O=C(N[C@@H]1CCCN(O)C1=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000820482267 587536619 /nfs/dbraw/zinc/53/66/19/587536619.db2.gz GZGOYGIPCJMQPY-CVEARBPZSA-N 1 2 347.415 0.681 20 30 ECEDLO CON=C(C(=O)N(C)[C@H](C)C[NH+]1CCOCC1)c1csc(N)n1 ZINC000822536169 587664679 /nfs/dbraw/zinc/66/46/79/587664679.db2.gz IGAZMSYLPRHVRG-SNVBAGLBSA-N 1 2 341.437 0.255 20 30 ECEDLO COCC(COC)[NH+]1CCN(C(=O)C2(C#N)CCSCC2)CC1 ZINC000822600865 587667876 /nfs/dbraw/zinc/66/78/76/587667876.db2.gz PYKJEFMBKFCQGS-UHFFFAOYSA-N 1 2 341.477 0.829 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)CC1 ZINC000823455280 587721544 /nfs/dbraw/zinc/72/15/44/587721544.db2.gz BORKCBHXDGLCKI-HUUCEWRRSA-N 1 2 336.436 0.132 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)CC1 ZINC000823455280 587721546 /nfs/dbraw/zinc/72/15/46/587721546.db2.gz BORKCBHXDGLCKI-HUUCEWRRSA-N 1 2 336.436 0.132 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@@H+](CCC)[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000823456947 587721801 /nfs/dbraw/zinc/72/18/01/587721801.db2.gz SMZVVCFNLZPITD-HNNXBMFYSA-N 1 2 336.436 0.228 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@H+](CCC)[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000823456947 587721803 /nfs/dbraw/zinc/72/18/03/587721803.db2.gz SMZVVCFNLZPITD-HNNXBMFYSA-N 1 2 336.436 0.228 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2c(C3CC3)cnn2C)CC1 ZINC000826549405 588069285 /nfs/dbraw/zinc/06/92/85/588069285.db2.gz GGTCNKULXXZHRS-UHFFFAOYSA-N 1 2 343.431 0.195 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c(C3CC3)cnn2C)CC1 ZINC000826549405 588069287 /nfs/dbraw/zinc/06/92/87/588069287.db2.gz GGTCNKULXXZHRS-UHFFFAOYSA-N 1 2 343.431 0.195 20 30 ECEDLO COc1cc(C(=O)N2CC[NH+](CCn3cncn3)CC2)ccc1C#N ZINC000828477613 588182247 /nfs/dbraw/zinc/18/22/47/588182247.db2.gz FXGWGXMIAWMLCZ-UHFFFAOYSA-N 1 2 340.387 0.616 20 30 ECEDLO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCC[NH+]1CCOCC1 ZINC000844280070 589106201 /nfs/dbraw/zinc/10/62/01/589106201.db2.gz RQRWSEHFGNRLHT-INIZCTEOSA-N 1 2 332.404 0.565 20 30 ECEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@H]2CN(C3CC3)C(=O)O2)n1 ZINC000844323722 589107628 /nfs/dbraw/zinc/10/76/28/589107628.db2.gz JAHSNUNMRRRJFO-MRXNPFEDSA-N 1 2 332.404 0.948 20 30 ECEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H]2CN(C3CC3)C(=O)O2)n1 ZINC000844323722 589107630 /nfs/dbraw/zinc/10/76/30/589107630.db2.gz JAHSNUNMRRRJFO-MRXNPFEDSA-N 1 2 332.404 0.948 20 30 ECEDLO C[N@@H+](CC(=O)NCC(=O)NC(C)(C)C)C[C@H](O)c1cccc(C#N)c1 ZINC000844368263 589109342 /nfs/dbraw/zinc/10/93/42/589109342.db2.gz XRDOAXYSIFLGDO-HNNXBMFYSA-N 1 2 346.431 0.554 20 30 ECEDLO C[N@H+](CC(=O)NCC(=O)NC(C)(C)C)C[C@H](O)c1cccc(C#N)c1 ZINC000844368263 589109344 /nfs/dbraw/zinc/10/93/44/589109344.db2.gz XRDOAXYSIFLGDO-HNNXBMFYSA-N 1 2 346.431 0.554 20 30 ECEDLO C#C[C@H]1CCC[N@@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)C1 ZINC000847028574 589233261 /nfs/dbraw/zinc/23/32/61/589233261.db2.gz HSGOYGYHFQPDMP-ZDUSSCGKSA-N 1 2 346.431 0.313 20 30 ECEDLO C#C[C@H]1CCC[N@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)C1 ZINC000847028574 589233262 /nfs/dbraw/zinc/23/32/62/589233262.db2.gz HSGOYGYHFQPDMP-ZDUSSCGKSA-N 1 2 346.431 0.313 20 30 ECEDLO Cn1cc[nH+]c1[C@H](CC(=O)N[C@@H]1CCCN(O)C1=O)C(F)(F)F ZINC000848131614 589279082 /nfs/dbraw/zinc/27/90/82/589279082.db2.gz AUKQSZUFVUJYJT-DTWKUNHWSA-N 1 2 334.298 0.953 20 30 ECEDLO C#CC[C@H]1CCCN(C(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000850681571 589378936 /nfs/dbraw/zinc/37/89/36/589378936.db2.gz AHAJHXQWKTWHBD-JKSUJKDBSA-N 1 2 333.432 0.181 20 30 ECEDLO COC[C@@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)CC1(C#N)CCOCC1 ZINC000851101209 589395760 /nfs/dbraw/zinc/39/57/60/589395760.db2.gz AIDDRUJDFFCOQI-LSDHHAIUSA-N 1 2 340.420 0.976 20 30 ECEDLO COC[C@@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)CC1(C#N)CCOCC1 ZINC000851101209 589395761 /nfs/dbraw/zinc/39/57/61/589395761.db2.gz AIDDRUJDFFCOQI-LSDHHAIUSA-N 1 2 340.420 0.976 20 30 ECEDLO C#CCOCC[N@H+]1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000851717630 589417838 /nfs/dbraw/zinc/41/78/38/589417838.db2.gz MWGQPEOGHOMGQN-UHFFFAOYSA-N 1 2 341.433 0.638 20 30 ECEDLO C#CCOCC[N@@H+]1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000851717630 589417839 /nfs/dbraw/zinc/41/78/39/589417839.db2.gz MWGQPEOGHOMGQN-UHFFFAOYSA-N 1 2 341.433 0.638 20 30 ECEDLO C#CCOCC[N@@H+]1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000851857773 589429347 /nfs/dbraw/zinc/42/93/47/589429347.db2.gz ZCNHMUCSYSQVKJ-CQSZACIVSA-N 1 2 328.368 0.633 20 30 ECEDLO C#CCOCC[N@H+]1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000851857773 589429349 /nfs/dbraw/zinc/42/93/49/589429349.db2.gz ZCNHMUCSYSQVKJ-CQSZACIVSA-N 1 2 328.368 0.633 20 30 ECEDLO C=CC[N@H+](CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O)[C@@H](C)COC ZINC000853535615 589546781 /nfs/dbraw/zinc/54/67/81/589546781.db2.gz XOURLIKJCOCAIJ-DZGCQCFKSA-N 1 2 334.420 0.818 20 30 ECEDLO C=CC[N@@H+](CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O)[C@@H](C)COC ZINC000853535615 589546783 /nfs/dbraw/zinc/54/67/83/589546783.db2.gz XOURLIKJCOCAIJ-DZGCQCFKSA-N 1 2 334.420 0.818 20 30 ECEDLO N#Cc1c2c(cn(C[N@@H+]3CC[C@H]4NC(=O)CC[C@H]4C3)c1=O)CCC2 ZINC000853560478 589549301 /nfs/dbraw/zinc/54/93/01/589549301.db2.gz XGNSROQHKOUSAN-XJKSGUPXSA-N 1 2 326.400 0.767 20 30 ECEDLO N#Cc1c2c(cn(C[N@H+]3CC[C@H]4NC(=O)CC[C@H]4C3)c1=O)CCC2 ZINC000853560478 589549302 /nfs/dbraw/zinc/54/93/02/589549302.db2.gz XGNSROQHKOUSAN-XJKSGUPXSA-N 1 2 326.400 0.767 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cc(C#N)c3ccccc3c2=O)CC1 ZINC000853755137 589557446 /nfs/dbraw/zinc/55/74/46/589557446.db2.gz HOJZDXDOWMZNDH-UHFFFAOYSA-N 1 2 334.379 0.651 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 ZINC000112921017 589617650 /nfs/dbraw/zinc/61/76/50/589617650.db2.gz HPODIDATKJRAGO-UHFFFAOYSA-N 1 2 340.358 0.763 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H](C)N2C(=O)c3ccc(C)cc3C2=O)CC1 ZINC000112921142 589617706 /nfs/dbraw/zinc/61/77/06/589617706.db2.gz HOWGJUYXQFYIJT-CQSZACIVSA-N 1 2 339.395 0.757 20 30 ECEDLO CCOC(=O)CON=C(C(=O)N[C@@H]1CCn2c[nH+]cc21)c1cc[nH]n1 ZINC000857982187 589720787 /nfs/dbraw/zinc/72/07/87/589720787.db2.gz NMDLFXIFVAPKNQ-SNVBAGLBSA-N 1 2 346.347 0.151 20 30 ECEDLO C[C@@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1cccc(C#N)c1O ZINC000866555657 589750569 /nfs/dbraw/zinc/75/05/69/589750569.db2.gz TWXVIKRXRJXSAO-PXAZEXFGSA-N 1 2 331.372 0.542 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000867569894 589807795 /nfs/dbraw/zinc/80/77/95/589807795.db2.gz ZLLAFWGGACAZLC-MRXNPFEDSA-N 1 2 331.416 0.950 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000867569894 589807799 /nfs/dbraw/zinc/80/77/99/589807799.db2.gz ZLLAFWGGACAZLC-MRXNPFEDSA-N 1 2 331.416 0.950 20 30 ECEDLO Cc1c(F)nccc1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000863067435 589989632 /nfs/dbraw/zinc/98/96/32/589989632.db2.gz XVIBPOQWZLFQKE-UHFFFAOYSA-N 1 2 325.413 0.659 20 30 ECEDLO N#Cc1ccc(NCC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000870069784 589997090 /nfs/dbraw/zinc/99/70/90/589997090.db2.gz MWWBHYWPPUGXLD-QGZVFWFLSA-N 1 2 344.415 0.530 20 30 ECEDLO CCC(=NNC(=S)NCC[NH+]1CCOCC1)[C@H]1CCCOC1 ZINC000872329687 590114928 /nfs/dbraw/zinc/11/49/28/590114928.db2.gz VQDFFGYNTAFLGS-ZDUSSCGKSA-N 1 2 328.482 0.975 20 30 ECEDLO O=c1ccn(N=Cc2ccc(OCC[NH+]3CCOCC3)cc2)c(=O)[nH]1 ZINC000872393806 590115424 /nfs/dbraw/zinc/11/54/24/590115424.db2.gz HYEKEPVWUPSGGW-UHFFFAOYSA-N 1 2 344.371 0.542 20 30 ECEDLO Cc1cccc(C#N)c1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000872476396 590119911 /nfs/dbraw/zinc/11/99/11/590119911.db2.gz WIIMPMKEMXBTOP-KBPBESRZSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cccc(C#N)c1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000872476396 590119913 /nfs/dbraw/zinc/11/99/13/590119913.db2.gz WIIMPMKEMXBTOP-KBPBESRZSA-N 1 2 337.445 0.942 20 30 ECEDLO C=CC(C)(C)CCCNC(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000872804038 590150836 /nfs/dbraw/zinc/15/08/36/590150836.db2.gz HSMBXOZPQOMMLZ-UHFFFAOYSA-N 1 2 325.453 0.886 20 30 ECEDLO Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000873789245 590201745 /nfs/dbraw/zinc/20/17/45/590201745.db2.gz VXJQSARYOFMXGJ-UHFFFAOYSA-N 1 2 334.351 0.081 20 30 ECEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000874347976 590233198 /nfs/dbraw/zinc/23/31/98/590233198.db2.gz QQGJXWXBDMAPID-CYBMUJFWSA-N 1 2 348.378 0.863 20 30 ECEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000874347976 590233200 /nfs/dbraw/zinc/23/32/00/590233200.db2.gz QQGJXWXBDMAPID-CYBMUJFWSA-N 1 2 348.378 0.863 20 30 ECEDLO C#Cc1cccc(NC(=O)C(=O)NCC[N@H+]2CCOC[C@@H]2CC)c1 ZINC000874346395 590233230 /nfs/dbraw/zinc/23/32/30/590233230.db2.gz TVBYKSQKJJCNFJ-INIZCTEOSA-N 1 2 329.400 0.833 20 30 ECEDLO C#Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCOC[C@@H]2CC)c1 ZINC000874346395 590233231 /nfs/dbraw/zinc/23/32/31/590233231.db2.gz TVBYKSQKJJCNFJ-INIZCTEOSA-N 1 2 329.400 0.833 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000875604868 590314654 /nfs/dbraw/zinc/31/46/54/590314654.db2.gz TXRDFGIIFPGCDY-RRFJBIMHSA-N 1 2 332.404 0.447 20 30 ECEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)cc1C ZINC000879612494 590328530 /nfs/dbraw/zinc/32/85/30/590328530.db2.gz BWSKWFCWLWPYPH-SJORKVTESA-N 1 2 331.416 0.978 20 30 ECEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](O)[C@@H](O)C2)cc1C ZINC000879612494 590328532 /nfs/dbraw/zinc/32/85/32/590328532.db2.gz BWSKWFCWLWPYPH-SJORKVTESA-N 1 2 331.416 0.978 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ncsc2C2CC2)CC1 ZINC000878737686 590539048 /nfs/dbraw/zinc/53/90/48/590539048.db2.gz RBLKPUVKNLGACR-UHFFFAOYSA-N 1 2 346.456 0.918 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ncsc2C2CC2)CC1 ZINC000878737686 590539050 /nfs/dbraw/zinc/53/90/50/590539050.db2.gz RBLKPUVKNLGACR-UHFFFAOYSA-N 1 2 346.456 0.918 20 30 ECEDLO C#CCn1cc(CNS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)cn1 ZINC000882349839 590543435 /nfs/dbraw/zinc/54/34/35/590543435.db2.gz ZPFXMQGPJNBOHK-UHFFFAOYSA-N 1 2 344.440 0.983 20 30 ECEDLO C#CCn1cc(CNS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)cn1 ZINC000882349839 590543436 /nfs/dbraw/zinc/54/34/36/590543436.db2.gz ZPFXMQGPJNBOHK-UHFFFAOYSA-N 1 2 344.440 0.983 20 30 ECEDLO C=C(C)C[C@@H](NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)C(=O)OCC ZINC000882645028 590568633 /nfs/dbraw/zinc/56/86/33/590568633.db2.gz IGCTYZHDUKJFJO-CHWSQXEVSA-N 1 2 334.438 0.134 20 30 ECEDLO C=C(C)C[C@@H](NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)C(=O)OCC ZINC000882645028 590568635 /nfs/dbraw/zinc/56/86/35/590568635.db2.gz IGCTYZHDUKJFJO-CHWSQXEVSA-N 1 2 334.438 0.134 20 30 ECEDLO N#Cc1cc(C(F)(F)F)cc(N2CC3(C2)CC(=O)NCC[NH2+]3)n1 ZINC000882683423 590575178 /nfs/dbraw/zinc/57/51/78/590575178.db2.gz DJDLNYSFDVOZPX-UHFFFAOYSA-N 1 2 325.294 0.640 20 30 ECEDLO COC[C@]1(C(=O)OC(C)(C)C)C[N@H+](CCO[C@H](C)C#N)CCO1 ZINC000879359670 590582982 /nfs/dbraw/zinc/58/29/82/590582982.db2.gz VJZPXIKZULWRQY-CJNGLKHVSA-N 1 2 328.409 0.974 20 30 ECEDLO COC[C@]1(C(=O)OC(C)(C)C)C[N@@H+](CCO[C@H](C)C#N)CCO1 ZINC000879359670 590582985 /nfs/dbraw/zinc/58/29/85/590582985.db2.gz VJZPXIKZULWRQY-CJNGLKHVSA-N 1 2 328.409 0.974 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CCCCCC(=O)OC)C1 ZINC000885512020 590730112 /nfs/dbraw/zinc/73/01/12/590730112.db2.gz QOYWFTSQZGKPDQ-CQSZACIVSA-N 1 2 330.450 0.737 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CCCCCC(=O)OC)C1 ZINC000885512020 590730116 /nfs/dbraw/zinc/73/01/16/590730116.db2.gz QOYWFTSQZGKPDQ-CQSZACIVSA-N 1 2 330.450 0.737 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000884129622 590749976 /nfs/dbraw/zinc/74/99/76/590749976.db2.gz LMKAHJOSNKGKRL-KBPBESRZSA-N 1 2 337.420 0.437 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)NCCS(=O)(=O)CC2CC2)C1 ZINC000884227088 590782320 /nfs/dbraw/zinc/78/23/20/590782320.db2.gz HVKQGHACRAPMBX-CQSZACIVSA-N 1 2 327.450 0.208 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCS(=O)(=O)CC2CC2)C1 ZINC000884227088 590782321 /nfs/dbraw/zinc/78/23/21/590782321.db2.gz HVKQGHACRAPMBX-CQSZACIVSA-N 1 2 327.450 0.208 20 30 ECEDLO C=CCOCC[N@H+]1CCOC[C@@]1(CO)CNC(=O)OC(C)(C)C ZINC000886292462 590826160 /nfs/dbraw/zinc/82/61/60/590826160.db2.gz OIVVPCYNCOZRIS-INIZCTEOSA-N 1 2 330.425 0.777 20 30 ECEDLO C=CCOCC[N@@H+]1CCOC[C@@]1(CO)CNC(=O)OC(C)(C)C ZINC000886292462 590826164 /nfs/dbraw/zinc/82/61/64/590826164.db2.gz OIVVPCYNCOZRIS-INIZCTEOSA-N 1 2 330.425 0.777 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C1 ZINC000884461635 590834277 /nfs/dbraw/zinc/83/42/77/590834277.db2.gz KDPWWNYCUDDTEE-XFNZEKPQSA-N 1 2 339.383 0.694 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C1 ZINC000884461635 590834280 /nfs/dbraw/zinc/83/42/80/590834280.db2.gz KDPWWNYCUDDTEE-XFNZEKPQSA-N 1 2 339.383 0.694 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(Br)cn1 ZINC000884471485 590836413 /nfs/dbraw/zinc/83/64/13/590836413.db2.gz XWRISTJRXJREPY-NSHDSACASA-N 1 2 342.193 0.907 20 30 ECEDLO C[C@]1(C#N)CN(C(=O)c2cccn2CC[NH+]2CCOCC2)CCO1 ZINC000887688069 590992648 /nfs/dbraw/zinc/99/26/48/590992648.db2.gz BLHBLVNJCVUTQZ-KRWDZBQOSA-N 1 2 332.404 0.575 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2OC)C1 ZINC000946632451 611376571 /nfs/dbraw/zinc/37/65/71/611376571.db2.gz BOGSRQMOPIXQBA-HUUCEWRRSA-N 1 2 346.431 0.959 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1cnn(C)n1 ZINC000947170653 611441575 /nfs/dbraw/zinc/44/15/75/611441575.db2.gz JQBHSKKKIGXSOW-AAEUAGOBSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1Cc1cnn(C)n1 ZINC000947170653 611441577 /nfs/dbraw/zinc/44/15/77/611441577.db2.gz JQBHSKKKIGXSOW-AAEUAGOBSA-N 1 2 327.392 0.798 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cnn(C)c3OC)CC2)C1 ZINC000949518458 608732626 /nfs/dbraw/zinc/73/26/26/608732626.db2.gz WGRRPWVAGHRFQD-UHFFFAOYSA-N 1 2 332.404 0.369 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cnn(C)c3OC)CC2)C1 ZINC000949518458 608732630 /nfs/dbraw/zinc/73/26/30/608732630.db2.gz WGRRPWVAGHRFQD-UHFFFAOYSA-N 1 2 332.404 0.369 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCC(=O)N3C)CC2)C1 ZINC000949520211 608735525 /nfs/dbraw/zinc/73/55/25/608735525.db2.gz LKFJXWRSXKZQHH-HNNXBMFYSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCC(=O)N3C)CC2)C1 ZINC000949520211 608735527 /nfs/dbraw/zinc/73/55/27/608735527.db2.gz LKFJXWRSXKZQHH-HNNXBMFYSA-N 1 2 333.432 0.324 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)[C@@H](C)C2)C1 ZINC000947701959 611659195 /nfs/dbraw/zinc/65/91/95/611659195.db2.gz HOLUIUXSDYCFFX-QWHCGFSZSA-N 1 2 333.436 0.934 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)[C@@H](C)C2)C1 ZINC000947701959 611659197 /nfs/dbraw/zinc/65/91/97/611659197.db2.gz HOLUIUXSDYCFFX-QWHCGFSZSA-N 1 2 333.436 0.934 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000947205329 608919393 /nfs/dbraw/zinc/91/93/93/608919393.db2.gz PBUYUPKVKFKTED-JQWIXIFHSA-N 1 2 343.391 0.091 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1nc(=O)n(C)[nH]1 ZINC000947205329 608919395 /nfs/dbraw/zinc/91/93/95/608919395.db2.gz PBUYUPKVKFKTED-JQWIXIFHSA-N 1 2 343.391 0.091 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1cn(C)nn1 ZINC000947205319 608919522 /nfs/dbraw/zinc/91/95/22/608919522.db2.gz OUONLBGVJGJPTF-YPMHNXCESA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1cn(C)nn1 ZINC000947205319 608919524 /nfs/dbraw/zinc/91/95/24/608919524.db2.gz OUONLBGVJGJPTF-YPMHNXCESA-N 1 2 327.392 0.798 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ncccc2O)C1 ZINC000937864291 609354920 /nfs/dbraw/zinc/35/49/20/609354920.db2.gz OGPZNDDTSBMRON-KBPBESRZSA-N 1 2 342.399 0.216 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)n(C)c(=O)n(C)c2=O ZINC000928547351 611697818 /nfs/dbraw/zinc/69/78/18/611697818.db2.gz UYDUKAQEMGVMMS-AWEZNQCLSA-N 1 2 340.383 0.273 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)n(C)c(=O)n(C)c2=O ZINC000928547351 611697821 /nfs/dbraw/zinc/69/78/21/611697821.db2.gz UYDUKAQEMGVMMS-AWEZNQCLSA-N 1 2 340.383 0.273 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nc1 ZINC000938374138 609760219 /nfs/dbraw/zinc/76/02/19/609760219.db2.gz ALSNFQWCJMRTEM-RRFJBIMHSA-N 1 2 349.394 0.920 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nc1 ZINC000938374138 609760220 /nfs/dbraw/zinc/76/02/20/609760220.db2.gz ALSNFQWCJMRTEM-RRFJBIMHSA-N 1 2 349.394 0.920 20 30 ECEDLO CC[C@H]1CN(S(=O)(=O)CC(C)(C)C#N)C[C@H]1[NH+]1CCOCC1 ZINC000914266330 609871236 /nfs/dbraw/zinc/87/12/36/609871236.db2.gz QYTKFJXDXYVSNP-UONOGXRCSA-N 1 2 329.466 0.909 20 30 ECEDLO N#CCSc1ccccc1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000914535709 609892223 /nfs/dbraw/zinc/89/22/23/609892223.db2.gz DJBPPUNHKHESAP-ZDUSSCGKSA-N 1 2 335.429 0.725 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000938603970 609896030 /nfs/dbraw/zinc/89/60/30/609896030.db2.gz MMZSSYZKCSCIGY-XHSDSOJGSA-N 1 2 346.431 0.924 20 30 ECEDLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)Cc1csc(C#N)c1 ZINC000916181840 609933700 /nfs/dbraw/zinc/93/37/00/609933700.db2.gz GYGHVPZVNYPQJD-NSHDSACASA-N 1 2 329.447 0.448 20 30 ECEDLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)Cc1csc(C#N)c1 ZINC000916181840 609933702 /nfs/dbraw/zinc/93/37/02/609933702.db2.gz GYGHVPZVNYPQJD-NSHDSACASA-N 1 2 329.447 0.448 20 30 ECEDLO Cc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)nn1-c1cccc(C#N)c1 ZINC000912740013 609996148 /nfs/dbraw/zinc/99/61/48/609996148.db2.gz MSEMHXQRGHSLJJ-MRXNPFEDSA-N 1 2 339.399 0.801 20 30 ECEDLO Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2CO)nn1-c1cccc(C#N)c1 ZINC000912740013 609996150 /nfs/dbraw/zinc/99/61/50/609996150.db2.gz MSEMHXQRGHSLJJ-MRXNPFEDSA-N 1 2 339.399 0.801 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000938861304 610000694 /nfs/dbraw/zinc/00/06/94/610000694.db2.gz FYPXBBNNKVVNPZ-ZNMIVQPWSA-N 1 2 346.431 0.661 20 30 ECEDLO CON=Cc1ccc(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)cc1 ZINC000912898758 610019438 /nfs/dbraw/zinc/01/94/38/610019438.db2.gz PPVNKQOQGQIIBP-UHFFFAOYSA-N 1 2 333.388 0.846 20 30 ECEDLO CON=Cc1ccc(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)cc1 ZINC000912898758 610019440 /nfs/dbraw/zinc/01/94/40/610019440.db2.gz PPVNKQOQGQIIBP-UHFFFAOYSA-N 1 2 333.388 0.846 20 30 ECEDLO C=CCCn1cc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3cnsn3)C2)nn1 ZINC000939292703 610149248 /nfs/dbraw/zinc/14/92/48/610149248.db2.gz MNXKNWYCRJBAOC-WCQYABFASA-N 1 2 347.448 0.956 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000940063088 610198896 /nfs/dbraw/zinc/19/88/96/610198896.db2.gz YEFZRWQABSTMPI-WCQYABFASA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000940063088 610198897 /nfs/dbraw/zinc/19/88/97/610198897.db2.gz YEFZRWQABSTMPI-WCQYABFASA-N 1 2 340.387 0.819 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cn4c(n3)CCCC4)CC2)C1 ZINC000941427091 610301002 /nfs/dbraw/zinc/30/10/02/610301002.db2.gz NSFUMBRZESINFX-UHFFFAOYSA-N 1 2 327.432 0.295 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3nc(CC)c[nH]3)CC2)C1 ZINC000941443028 610317900 /nfs/dbraw/zinc/31/79/00/610317900.db2.gz JNFZDAMJWIVLPL-UHFFFAOYSA-N 1 2 329.448 0.366 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)C1 ZINC000941471957 610330287 /nfs/dbraw/zinc/33/02/87/610330287.db2.gz PMFFGRGZDBQHJE-UHFFFAOYSA-N 1 2 327.432 0.364 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnn4c3OCCC4)CC2)C1 ZINC000941475308 610331812 /nfs/dbraw/zinc/33/18/12/610331812.db2.gz PAUONMZNVOMXCK-UHFFFAOYSA-N 1 2 343.431 0.131 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(Cl)n(C)n3)CC2)C1 ZINC000941479698 610334771 /nfs/dbraw/zinc/33/47/71/610334771.db2.gz QVSUGTGMWHMWPH-UHFFFAOYSA-N 1 2 335.839 0.539 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3Cc4ccccc4O3)CC2)C1 ZINC000941481384 610335706 /nfs/dbraw/zinc/33/57/06/610335706.db2.gz VPNAWZCDGGZYOH-IBGZPJMESA-N 1 2 339.439 0.842 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCc3cncnc3)CC2)C1 ZINC000941488026 610339000 /nfs/dbraw/zinc/33/90/00/610339000.db2.gz WZFPNIWFXBTVFG-UHFFFAOYSA-N 1 2 327.432 0.261 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ocnc3C(F)(F)F)CC2)C1 ZINC000941502580 610345519 /nfs/dbraw/zinc/34/55/19/610345519.db2.gz RXVAYZSBJXAQEA-UHFFFAOYSA-N 1 2 342.321 0.769 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCn3nc(C)cc3C)CC2)C1 ZINC000941505584 610347951 /nfs/dbraw/zinc/34/79/51/610347951.db2.gz YGDBULDGKFWXOQ-UHFFFAOYSA-N 1 2 329.448 0.352 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3c(C)nn(C)c3C)CC2)C1 ZINC000941506191 610348156 /nfs/dbraw/zinc/34/81/56/610348156.db2.gz GTDTXCYQXDQVFB-UHFFFAOYSA-N 1 2 329.448 0.041 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(CCC)n[nH]3)CC2)C1 ZINC000941512665 610352034 /nfs/dbraw/zinc/35/20/34/610352034.db2.gz SEUUVXNOZDDTMV-UHFFFAOYSA-N 1 2 329.448 0.828 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000940745274 610353358 /nfs/dbraw/zinc/35/33/58/610353358.db2.gz SNXRNRBWYHSLLA-BMFZPTHFSA-N 1 2 346.431 0.661 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCN(C2C[NH+](CCN3CCNC3=O)C2)CC1 ZINC000941515850 610353655 /nfs/dbraw/zinc/35/36/55/610353655.db2.gz FVEWVFVNXKPPRJ-UHFFFAOYSA-N 1 2 349.479 0.052 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCN(C2CN(Cc3c[nH+]cn3C)C2)CC1 ZINC000941516643 610353793 /nfs/dbraw/zinc/35/37/93/610353793.db2.gz YKJKJFMZEGKWHT-UHFFFAOYSA-N 1 2 331.464 0.961 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@@H](C)Cc4cn[nH]c43)CC2)C1 ZINC000941529623 610361698 /nfs/dbraw/zinc/36/16/98/610361698.db2.gz UGSDNTPZGKNYNZ-WMLDXEAASA-N 1 2 341.459 0.537 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3ccc(CC)cn3)CC2)C1 ZINC000941574541 610379512 /nfs/dbraw/zinc/37/95/12/610379512.db2.gz HYRWCOLUAASZCO-UHFFFAOYSA-N 1 2 326.444 0.648 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3scnc3COC)CC2)C1 ZINC000941596450 610413667 /nfs/dbraw/zinc/41/36/67/610413667.db2.gz HMPNLQCYASTUHT-UHFFFAOYSA-N 1 2 334.445 0.365 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCO[C@H](C(C)C)C3)CC2)C1 ZINC000941632650 610418595 /nfs/dbraw/zinc/41/85/95/610418595.db2.gz MVVHWTGDXHUYPT-WMZOPIPTSA-N 1 2 333.476 0.899 20 30 ECEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000940872939 610420814 /nfs/dbraw/zinc/42/08/14/610420814.db2.gz HHFDKEPXCKEGKZ-KGLIPLIRSA-N 1 2 326.462 0.661 20 30 ECEDLO CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000940872939 610420816 /nfs/dbraw/zinc/42/08/16/610420816.db2.gz HHFDKEPXCKEGKZ-KGLIPLIRSA-N 1 2 326.462 0.661 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cn(C(C)C)nn3)CC2)C1 ZINC000941621010 610425852 /nfs/dbraw/zinc/42/58/52/610425852.db2.gz SIBKNHDBHYDHDS-UHFFFAOYSA-N 1 2 330.436 0.324 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ncc4n3CCCC4)CC2)C1 ZINC000941670299 610444180 /nfs/dbraw/zinc/44/41/80/610444180.db2.gz NDZYCVZXFROVNX-UHFFFAOYSA-N 1 2 327.432 0.295 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CCCN(C(=O)C#CC2CC2)CC1 ZINC000940996618 610475702 /nfs/dbraw/zinc/47/57/02/610475702.db2.gz SVEDJHIGQVWIQP-UHFFFAOYSA-N 1 2 328.416 0.827 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C=C(C)C)C[C@H]1OC ZINC000942513421 610492595 /nfs/dbraw/zinc/49/25/95/610492595.db2.gz QBRNVNKDQJXQFP-OWCLPIDISA-N 1 2 333.432 0.392 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C=C(C)C)C[C@H]1OC ZINC000942513421 610492597 /nfs/dbraw/zinc/49/25/97/610492597.db2.gz QBRNVNKDQJXQFP-OWCLPIDISA-N 1 2 333.432 0.392 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2cn(C)nn2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941964288 610586821 /nfs/dbraw/zinc/58/68/21/610586821.db2.gz QTULANBKQQEQJS-IAQYHMDHSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2cn(C)nn2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941964288 610586824 /nfs/dbraw/zinc/58/68/24/610586824.db2.gz QTULANBKQQEQJS-IAQYHMDHSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@H]1C[N@H+](Cc2cn(C)nn2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941965400 610587554 /nfs/dbraw/zinc/58/75/54/610587554.db2.gz AGQCCKVWRVYFRA-FZMZJTMJSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@H]1C[N@@H+](Cc2cn(C)nn2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941965400 610587556 /nfs/dbraw/zinc/58/75/56/610587556.db2.gz AGQCCKVWRVYFRA-FZMZJTMJSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@H]1C[N@H+](Cc2cnn(C)n2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941965574 610587602 /nfs/dbraw/zinc/58/76/02/610587602.db2.gz ZBXVURYJODYLML-XHDPSFHLSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@H]1C[N@@H+](Cc2cnn(C)n2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941965574 610587604 /nfs/dbraw/zinc/58/76/04/610587604.db2.gz ZBXVURYJODYLML-XHDPSFHLSA-N 1 2 327.392 0.655 20 30 ECEDLO CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC000942972632 610699145 /nfs/dbraw/zinc/69/91/45/610699145.db2.gz BGAYOBIQPGJNSF-OUCADQQQSA-N 1 2 341.371 0.450 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)C2CCS(=O)(=O)CC2)[C@H](C)C1 ZINC000943229474 610755468 /nfs/dbraw/zinc/75/54/68/610755468.db2.gz CPUZYYOJAKWBJI-UKRRQHHQSA-N 1 2 326.462 0.661 20 30 ECEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)C2CCS(=O)(=O)CC2)[C@H](C)C1 ZINC000943229474 610755469 /nfs/dbraw/zinc/75/54/69/610755469.db2.gz CPUZYYOJAKWBJI-UKRRQHHQSA-N 1 2 326.462 0.661 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)Cc2[nH]cc[nH+]2)nc1 ZINC000944235205 610802179 /nfs/dbraw/zinc/80/21/79/610802179.db2.gz FLIFAKFORYMTQF-CQSZACIVSA-N 1 2 337.383 0.750 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC000945035998 610890703 /nfs/dbraw/zinc/89/07/03/610890703.db2.gz VQLLNYLHDOKZFR-ZDUSSCGKSA-N 1 2 329.404 0.953 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC000945035998 610890705 /nfs/dbraw/zinc/89/07/05/610890705.db2.gz VQLLNYLHDOKZFR-ZDUSSCGKSA-N 1 2 329.404 0.953 20 30 ECEDLO C=CC[N@@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H](C)C1 ZINC000943690303 610948414 /nfs/dbraw/zinc/94/84/14/610948414.db2.gz RLAUWNCGTJUYFO-AAEUAGOBSA-N 1 2 330.392 0.084 20 30 ECEDLO C=CC[N@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H](C)C1 ZINC000943690303 610948416 /nfs/dbraw/zinc/94/84/16/610948416.db2.gz RLAUWNCGTJUYFO-AAEUAGOBSA-N 1 2 330.392 0.084 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000946290625 611198738 /nfs/dbraw/zinc/19/87/38/611198738.db2.gz GASFHKDSTQEPFU-OLZOCXBDSA-N 1 2 340.387 0.867 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CCC(NC(=O)Cn3cc[nH+]c3)CC2)c1 ZINC000946093738 611227798 /nfs/dbraw/zinc/22/77/98/611227798.db2.gz VJDIQHZEKIVWNM-UHFFFAOYSA-N 1 2 326.360 0.504 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nncn3C)[C@H](C)C2)nc1 ZINC000947948638 611752653 /nfs/dbraw/zinc/75/26/53/611752653.db2.gz OQMSLEREMDNYTL-HIFRSBDPSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nncn3C)[C@H](C)C2)nc1 ZINC000947948638 611752655 /nfs/dbraw/zinc/75/26/55/611752655.db2.gz OQMSLEREMDNYTL-HIFRSBDPSA-N 1 2 338.415 0.974 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCOC2(CC[NH+](Cc3nccn3C)CC2)C1 ZINC000949051695 611829356 /nfs/dbraw/zinc/82/93/56/611829356.db2.gz NWUCNNXOSVHSIW-AWEZNQCLSA-N 1 2 331.420 0.773 20 30 ECEDLO O=C(C#CC1CC1)N1CCC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000950764602 611896249 /nfs/dbraw/zinc/89/62/49/611896249.db2.gz RNYYYPGYAGAPOU-JKSUJKDBSA-N 1 2 340.427 0.966 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)[nH]1 ZINC000950481296 612035171 /nfs/dbraw/zinc/03/51/71/612035171.db2.gz APCRLJREZGQBGJ-LBPRGKRZSA-N 1 2 326.360 0.573 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC000953340650 612257750 /nfs/dbraw/zinc/25/77/50/612257750.db2.gz QIRNMLBZCMHYHH-HOTGVXAUSA-N 1 2 326.400 0.746 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000954667288 612516255 /nfs/dbraw/zinc/51/62/55/612516255.db2.gz BJPDPFANGBCLJM-RDJZCZTQSA-N 1 2 346.431 0.924 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC000953999337 612537634 /nfs/dbraw/zinc/53/76/34/612537634.db2.gz LDTMMRMRCKXXNR-LLVKDONJSA-N 1 2 340.387 0.771 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC000953999337 612537638 /nfs/dbraw/zinc/53/76/38/612537638.db2.gz LDTMMRMRCKXXNR-LLVKDONJSA-N 1 2 340.387 0.771 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC000954110153 612673921 /nfs/dbraw/zinc/67/39/21/612673921.db2.gz STYHMKXKJFKCRG-LLVKDONJSA-N 1 2 340.387 0.771 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC000954110153 612673925 /nfs/dbraw/zinc/67/39/25/612673925.db2.gz STYHMKXKJFKCRG-LLVKDONJSA-N 1 2 340.387 0.771 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CCCN2C(=O)Cn2cc[nH+]c2)c[nH]1 ZINC000956078219 612682294 /nfs/dbraw/zinc/68/22/94/612682294.db2.gz IRWQSFQYRIAWHR-AWEZNQCLSA-N 1 2 326.360 0.504 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000955629726 612717878 /nfs/dbraw/zinc/71/78/78/612717878.db2.gz RIPGVHBTJSWBPR-CHWSQXEVSA-N 1 2 340.387 0.892 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000955631449 612719793 /nfs/dbraw/zinc/71/97/93/612719793.db2.gz PENYLPXNBJKXLM-YPMHNXCESA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000955725917 612794610 /nfs/dbraw/zinc/79/46/10/612794610.db2.gz IBYDHBSNJAZGII-JSGCOSHPSA-N 1 2 340.387 0.892 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000955072974 612882299 /nfs/dbraw/zinc/88/22/99/612882299.db2.gz ZBAFZAAPJWGNQI-CJNGLKHVSA-N 1 2 348.447 0.459 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(N(C)C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000955072974 612882300 /nfs/dbraw/zinc/88/23/00/612882300.db2.gz ZBAFZAAPJWGNQI-CJNGLKHVSA-N 1 2 348.447 0.459 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000955111971 612909357 /nfs/dbraw/zinc/90/93/57/612909357.db2.gz LCTTXMDDGXFBFF-UHFFFAOYSA-N 1 2 336.395 0.845 20 30 ECEDLO O=C(C#CC1CC1)N1CC[NH+]([C@H]2CCN(C(=O)CC3CC3)C2)CC1 ZINC000956591775 612921019 /nfs/dbraw/zinc/92/10/19/612921019.db2.gz HDYUANADHMEIAI-KRWDZBQOSA-N 1 2 329.444 0.945 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCN(C(C)=O)C3)CC2)cn1 ZINC000956601173 612923456 /nfs/dbraw/zinc/92/34/56/612923456.db2.gz LHZIWGBGPOBABF-QGZVFWFLSA-N 1 2 326.400 0.442 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H](C)CCNC(=O)Cc2[nH]cc[nH+]2)nn1 ZINC001078037085 782191769 /nfs/dbraw/zinc/19/17/69/782191769.db2.gz FXDAUVMCISUYBW-LBPRGKRZSA-N 1 2 345.407 0.445 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3ccc(=O)[nH]n3)[C@@H](O)C2)s1 ZINC001083321594 751340157 /nfs/dbraw/zinc/34/01/57/751340157.db2.gz SIJAATUHFJUBEE-OLZOCXBDSA-N 1 2 345.384 0.090 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)c3ccc(=O)[nH]n3)[C@@H](O)C2)s1 ZINC001083321594 751340163 /nfs/dbraw/zinc/34/01/63/751340163.db2.gz SIJAATUHFJUBEE-OLZOCXBDSA-N 1 2 345.384 0.090 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N(C)[C@@H](C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001104541838 738448882 /nfs/dbraw/zinc/44/88/82/738448882.db2.gz VVVXICAUIMNTGK-MEDUHNTESA-N 1 2 336.440 0.832 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccnc2C(F)F)[C@@H](n2ccnn2)C1 ZINC001069974613 790267434 /nfs/dbraw/zinc/26/74/34/790267434.db2.gz HQZUZFDBDBRWON-OLZOCXBDSA-N 1 2 346.341 0.899 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccnc2C(F)F)[C@@H](n2ccnn2)C1 ZINC001069974613 790267436 /nfs/dbraw/zinc/26/74/36/790267436.db2.gz HQZUZFDBDBRWON-OLZOCXBDSA-N 1 2 346.341 0.899 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc3nccn32)[C@@H](n2ccnn2)C1 ZINC001069977153 790269809 /nfs/dbraw/zinc/26/98/09/790269809.db2.gz LDNUQJWCTYYATN-HIFRSBDPSA-N 1 2 335.371 0.214 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc3nccn32)[C@@H](n2ccnn2)C1 ZINC001069977153 790269815 /nfs/dbraw/zinc/26/98/15/790269815.db2.gz LDNUQJWCTYYATN-HIFRSBDPSA-N 1 2 335.371 0.214 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)C[C@@H](O)CN(C)c2cc[nH+]c(C)n2)c1 ZINC001125280629 731582786 /nfs/dbraw/zinc/58/27/86/731582786.db2.gz UWKDPNLXURYWMX-INIZCTEOSA-N 1 2 339.399 0.731 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3ccncc3n2)[C@@H](n2ccnn2)C1 ZINC001069979976 790273142 /nfs/dbraw/zinc/27/31/42/790273142.db2.gz VMKJWULGFWINNM-SJORKVTESA-N 1 2 347.382 0.510 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3ccncc3n2)[C@@H](n2ccnn2)C1 ZINC001069979976 790273147 /nfs/dbraw/zinc/27/31/47/790273147.db2.gz VMKJWULGFWINNM-SJORKVTESA-N 1 2 347.382 0.510 20 30 ECEDLO COc1cncc(C[NH+]2CC([C@H](C)NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000969515164 731935799 /nfs/dbraw/zinc/93/57/99/731935799.db2.gz XSRZXENDDBVMDY-NSHDSACASA-N 1 2 340.387 0.935 20 30 ECEDLO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+](CC(=O)NC2CCCC2)C1 ZINC000969526561 731948994 /nfs/dbraw/zinc/94/89/94/731948994.db2.gz NEMPYEGHAASGGS-LBPRGKRZSA-N 1 2 343.431 0.995 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC(C)(C)CO2)[C@@H](n2ccnn2)C1 ZINC001069982525 790276272 /nfs/dbraw/zinc/27/62/72/790276272.db2.gz GUKNTWQQYUSVDN-OAGGEKHMSA-N 1 2 345.447 0.848 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC(C)(C)CO2)[C@@H](n2ccnn2)C1 ZINC001069982525 790276275 /nfs/dbraw/zinc/27/62/75/790276275.db2.gz GUKNTWQQYUSVDN-OAGGEKHMSA-N 1 2 345.447 0.848 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)/C=C\c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000255053830 732939240 /nfs/dbraw/zinc/93/92/40/732939240.db2.gz PRSRMODWFSGCOO-TWGQIWQCSA-N 1 2 347.440 0.849 20 30 ECEDLO C[C@H](NC(=O)c1nnn(C)n1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000970290098 733314963 /nfs/dbraw/zinc/31/49/63/733314963.db2.gz SALMBJMOTXHVEL-JTQLQIEISA-N 1 2 343.366 0.471 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2O)C1 ZINC000970403088 733475430 /nfs/dbraw/zinc/47/54/30/733475430.db2.gz MCAKFAVYUMCTAA-KGLIPLIRSA-N 1 2 332.404 0.387 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]2O)C1 ZINC000970403088 733475432 /nfs/dbraw/zinc/47/54/32/733475432.db2.gz MCAKFAVYUMCTAA-KGLIPLIRSA-N 1 2 332.404 0.387 20 30 ECEDLO N#Cc1ccc(F)c(C[NH2+][C@@H]2CCN(C(=O)Cc3ncn[nH]3)C2)c1 ZINC000970445383 733541858 /nfs/dbraw/zinc/54/18/58/733541858.db2.gz DWHAMQXCYWTDCZ-CYBMUJFWSA-N 1 2 328.351 0.749 20 30 ECEDLO N#Cc1nccc(N2CCO[C@@H](CNC(=O)CCc3[nH]cc[nH+]3)C2)n1 ZINC001104308781 734202470 /nfs/dbraw/zinc/20/24/70/734202470.db2.gz URXDMYHNWZAWKR-LBPRGKRZSA-N 1 2 341.375 0.026 20 30 ECEDLO N#Cc1ccc(N2CCO[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC001104326664 734325662 /nfs/dbraw/zinc/32/56/62/734325662.db2.gz QKKYKFAHBOARER-ZDUSSCGKSA-N 1 2 326.360 0.240 20 30 ECEDLO N#Cc1cccnc1N1CCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001104326839 734327184 /nfs/dbraw/zinc/32/71/84/734327184.db2.gz UJEMAWMQHVDDAI-CYBMUJFWSA-N 1 2 326.360 0.240 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]([N@H+](C)Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000971219966 734370690 /nfs/dbraw/zinc/37/06/90/734370690.db2.gz ACKHSSNQXPQZID-YPMHNXCESA-N 1 2 328.376 0.215 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000971219966 734370697 /nfs/dbraw/zinc/37/06/97/734370697.db2.gz ACKHSSNQXPQZID-YPMHNXCESA-N 1 2 328.376 0.215 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC000971730129 735002052 /nfs/dbraw/zinc/00/20/52/735002052.db2.gz PDKLDCVXEUHGDG-NWDGAFQWSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC000971730129 735002055 /nfs/dbraw/zinc/00/20/55/735002055.db2.gz PDKLDCVXEUHGDG-NWDGAFQWSA-N 1 2 344.253 0.954 20 30 ECEDLO Cc1cccn2cc(CC(=O)N3CCO[C@@H]4CN(CC#N)C[C@@H]43)[nH+]c12 ZINC001083224025 735034120 /nfs/dbraw/zinc/03/41/20/735034120.db2.gz BCEWAYREYYURPR-JKSUJKDBSA-N 1 2 339.399 0.620 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000973181578 738873499 /nfs/dbraw/zinc/87/34/99/738873499.db2.gz YAXZAOXXLCMEEM-HAQNSBGRSA-N 1 2 326.360 0.240 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]21 ZINC000972074257 735613900 /nfs/dbraw/zinc/61/39/00/735613900.db2.gz XCDVIJOPRHWJQZ-KCYZZUKISA-N 1 2 338.411 0.986 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]21 ZINC000972074257 735613901 /nfs/dbraw/zinc/61/39/01/735613901.db2.gz XCDVIJOPRHWJQZ-KCYZZUKISA-N 1 2 338.411 0.986 20 30 ECEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972078352 735618350 /nfs/dbraw/zinc/61/83/50/735618350.db2.gz GEXDESSIEMXYEH-HZPDHXFCSA-N 1 2 344.390 0.866 20 30 ECEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972078352 735618351 /nfs/dbraw/zinc/61/83/51/735618351.db2.gz GEXDESSIEMXYEH-HZPDHXFCSA-N 1 2 344.390 0.866 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCc3nc4cc[nH]cc-4n3)[C@H]2C1 ZINC001083243306 735675638 /nfs/dbraw/zinc/67/56/38/735675638.db2.gz VGFGCRSDFDXMTL-JKSUJKDBSA-N 1 2 339.399 0.435 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3nc4cc[nH]cc-4n3)[C@H]2C1 ZINC001083243306 735675642 /nfs/dbraw/zinc/67/56/42/735675642.db2.gz VGFGCRSDFDXMTL-JKSUJKDBSA-N 1 2 339.399 0.435 20 30 ECEDLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)C#N)C2)C1 ZINC000972296225 735903014 /nfs/dbraw/zinc/90/30/14/735903014.db2.gz AXEQMEHZYWHXSA-GUYCJALGSA-N 1 2 331.420 0.692 20 30 ECEDLO Cc1nn(C)cc1C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)C#N)C2)C1 ZINC000972296225 735903017 /nfs/dbraw/zinc/90/30/17/735903017.db2.gz AXEQMEHZYWHXSA-GUYCJALGSA-N 1 2 331.420 0.692 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4ncncc4C3)C2)C1 ZINC000972405164 736129390 /nfs/dbraw/zinc/12/93/90/736129390.db2.gz MGLZPOACOKVXOB-KXBFYZLASA-N 1 2 340.427 0.518 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4ncncc4C3)C2)C1 ZINC000972405164 736129395 /nfs/dbraw/zinc/12/93/95/736129395.db2.gz MGLZPOACOKVXOB-KXBFYZLASA-N 1 2 340.427 0.518 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3cc(C4CC4)nn3)C2)C1 ZINC000972408978 736140370 /nfs/dbraw/zinc/14/03/70/736140370.db2.gz MTHDIXMUKIEFOF-GOSISDBHSA-N 1 2 343.431 0.482 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3cc(C4CC4)nn3)C2)C1 ZINC000972408978 736140373 /nfs/dbraw/zinc/14/03/73/736140373.db2.gz MTHDIXMUKIEFOF-GOSISDBHSA-N 1 2 343.431 0.482 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3COCCN3CC)C2)C1 ZINC000972442071 736205940 /nfs/dbraw/zinc/20/59/40/736205940.db2.gz YMGNFUGOZLFWEK-AEFFLSMTSA-N 1 2 335.448 0.034 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3COCCN3CC)C2)C1 ZINC000972442071 736205944 /nfs/dbraw/zinc/20/59/44/736205944.db2.gz YMGNFUGOZLFWEK-AEFFLSMTSA-N 1 2 335.448 0.034 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4[nH]c(=O)[nH]c4c3)C2)C1 ZINC000972443973 736209839 /nfs/dbraw/zinc/20/98/39/736209839.db2.gz NDLPCNUMOAQUBA-KRWDZBQOSA-N 1 2 343.387 0.766 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4[nH]c(=O)[nH]c4c3)C2)C1 ZINC000972443973 736209840 /nfs/dbraw/zinc/20/98/40/736209840.db2.gz NDLPCNUMOAQUBA-KRWDZBQOSA-N 1 2 343.387 0.766 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(C)cc(=O)oc3C)C2)C1 ZINC000972457174 736249148 /nfs/dbraw/zinc/24/91/48/736249148.db2.gz AKQYQZFBWNPSEQ-GOSISDBHSA-N 1 2 330.384 0.807 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(C)cc(=O)oc3C)C2)C1 ZINC000972457174 736249150 /nfs/dbraw/zinc/24/91/50/736249150.db2.gz AKQYQZFBWNPSEQ-GOSISDBHSA-N 1 2 330.384 0.807 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)o3)C2)C1 ZINC000972459505 736252344 /nfs/dbraw/zinc/25/23/44/736252344.db2.gz WBWZNVZLZLTKMJ-KRWDZBQOSA-N 1 2 331.372 0.319 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)o3)C2)C1 ZINC000972459505 736252347 /nfs/dbraw/zinc/25/23/47/736252347.db2.gz WBWZNVZLZLTKMJ-KRWDZBQOSA-N 1 2 331.372 0.319 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3ccccc3C(N)=O)C2)C1 ZINC000972493389 736384292 /nfs/dbraw/zinc/38/42/92/736384292.db2.gz XYDCDPCBJKXDCO-LJQANCHMSA-N 1 2 341.411 0.265 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3ccccc3C(N)=O)C2)C1 ZINC000972493389 736384294 /nfs/dbraw/zinc/38/42/94/736384294.db2.gz XYDCDPCBJKXDCO-LJQANCHMSA-N 1 2 341.411 0.265 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccn4nnnc4c3)C2)C1 ZINC000972495256 736396122 /nfs/dbraw/zinc/39/61/22/736396122.db2.gz ZYSBDVXQYDHGBW-KRWDZBQOSA-N 1 2 340.387 0.065 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccn4nnnc4c3)C2)C1 ZINC000972495256 736396125 /nfs/dbraw/zinc/39/61/25/736396125.db2.gz ZYSBDVXQYDHGBW-KRWDZBQOSA-N 1 2 340.387 0.065 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3ccc4c(c3)COC4)[C@H]2C1 ZINC001083257875 736477204 /nfs/dbraw/zinc/47/72/04/736477204.db2.gz ZQJPHNKFRBOGBB-ZWKOTPCHSA-N 1 2 326.396 0.804 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3ccc4c(c3)COC4)[C@H]2C1 ZINC001083257875 736477205 /nfs/dbraw/zinc/47/72/05/736477205.db2.gz ZQJPHNKFRBOGBB-ZWKOTPCHSA-N 1 2 326.396 0.804 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(C)nc[nH]c3=O)C2)C1 ZINC000972511937 736496193 /nfs/dbraw/zinc/49/61/93/736496193.db2.gz LLJJLDPPJUXIKD-QGZVFWFLSA-N 1 2 330.388 0.431 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(C)nc[nH]c3=O)C2)C1 ZINC000972511937 736496194 /nfs/dbraw/zinc/49/61/94/736496194.db2.gz LLJJLDPPJUXIKD-QGZVFWFLSA-N 1 2 330.388 0.431 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCc4nn(C)cc43)C2)C1 ZINC000972517317 736530269 /nfs/dbraw/zinc/53/02/69/736530269.db2.gz DWMJWDQJFXZUPW-HNAYVOBHSA-N 1 2 342.443 0.777 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCc4nn(C)cc43)C2)C1 ZINC000972517317 736530271 /nfs/dbraw/zinc/53/02/71/736530271.db2.gz DWMJWDQJFXZUPW-HNAYVOBHSA-N 1 2 342.443 0.777 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](CNC(=O)c3[nH]ncc3F)C2)C1=O ZINC001023576286 737032528 /nfs/dbraw/zinc/03/25/28/737032528.db2.gz GVVLSBKBWAAKQM-OCCSQVGLSA-N 1 2 349.410 0.778 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)c3[nH]ncc3F)C2)C1=O ZINC001023576286 737032532 /nfs/dbraw/zinc/03/25/32/737032532.db2.gz GVVLSBKBWAAKQM-OCCSQVGLSA-N 1 2 349.410 0.778 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cnn(C)n3)C2)nc1 ZINC001023709152 737227562 /nfs/dbraw/zinc/22/75/62/737227562.db2.gz PPXSXVBYARJAFJ-OAHLLOKOSA-N 1 2 338.415 0.833 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cnn(C)n3)C2)nc1 ZINC001023709152 737227567 /nfs/dbraw/zinc/22/75/67/737227567.db2.gz PPXSXVBYARJAFJ-OAHLLOKOSA-N 1 2 338.415 0.833 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(=O)Nc3ccc(C)cc3)C2)C1 ZINC000972669330 737313006 /nfs/dbraw/zinc/31/30/06/737313006.db2.gz KTVMJHXUSJLWEH-LJQANCHMSA-N 1 2 341.411 0.870 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(=O)Nc3ccc(C)cc3)C2)C1 ZINC000972669330 737313007 /nfs/dbraw/zinc/31/30/07/737313007.db2.gz KTVMJHXUSJLWEH-LJQANCHMSA-N 1 2 341.411 0.870 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 ZINC000972669812 737317760 /nfs/dbraw/zinc/31/77/60/737317760.db2.gz SPDLVLUZLUMMBI-IBGZPJMESA-N 1 2 341.411 0.726 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 ZINC000972669812 737317765 /nfs/dbraw/zinc/31/77/65/737317765.db2.gz SPDLVLUZLUMMBI-IBGZPJMESA-N 1 2 341.411 0.726 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c(C(N)=O)c3)C2)C1 ZINC000972673625 737343222 /nfs/dbraw/zinc/34/32/22/737343222.db2.gz KENKOJZEICVCPW-QGZVFWFLSA-N 1 2 330.388 0.054 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c[nH]c(C(N)=O)c3)C2)C1 ZINC000972673625 737343225 /nfs/dbraw/zinc/34/32/25/737343225.db2.gz KENKOJZEICVCPW-QGZVFWFLSA-N 1 2 330.388 0.054 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CN3CCc4ccccc43)C2)C1 ZINC000972676483 737354342 /nfs/dbraw/zinc/35/43/42/737354342.db2.gz HOBQIAOPXVLQTF-HXUWFJFHSA-N 1 2 339.439 0.986 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CN3CCc4ccccc43)C2)C1 ZINC000972676483 737354345 /nfs/dbraw/zinc/35/43/45/737354345.db2.gz HOBQIAOPXVLQTF-HXUWFJFHSA-N 1 2 339.439 0.986 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc3c[nH]nc32)[C@@H](n2ccnn2)C1 ZINC001069995731 790291541 /nfs/dbraw/zinc/29/15/41/790291541.db2.gz WXVNLJANLFGGBF-CABCVRRESA-N 1 2 335.371 0.443 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc3c[nH]nc32)[C@@H](n2ccnn2)C1 ZINC001069995731 790291548 /nfs/dbraw/zinc/29/15/48/790291548.db2.gz WXVNLJANLFGGBF-CABCVRRESA-N 1 2 335.371 0.443 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCS(C)(=O)=O ZINC001024662190 738206245 /nfs/dbraw/zinc/20/62/45/738206245.db2.gz UDLVWAPASJTZGJ-KFWWJZLASA-N 1 2 344.477 0.593 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCS(C)(=O)=O ZINC001024662190 738206248 /nfs/dbraw/zinc/20/62/48/738206248.db2.gz UDLVWAPASJTZGJ-KFWWJZLASA-N 1 2 344.477 0.593 20 30 ECEDLO COCCc1noc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H](C)C#N)n1 ZINC001024901849 738383434 /nfs/dbraw/zinc/38/34/34/738383434.db2.gz AJARWZZRDYSDGE-QWHCGFSZSA-N 1 2 335.408 0.889 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000973488524 739386075 /nfs/dbraw/zinc/38/60/75/739386075.db2.gz HDJBICIAQXXBNS-BHPKHCPMSA-N 1 2 332.404 0.615 20 30 ECEDLO C#CCOCCC(=O)N(C)[C@H](C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001104679426 739461949 /nfs/dbraw/zinc/46/19/49/739461949.db2.gz CBDHNXQEUPHWLM-GFCCVEGCSA-N 1 2 334.424 0.545 20 30 ECEDLO N#Cc1ccc(N2CCC3(C[C@H]3NC(=O)Cc3c[nH]c[nH+]3)CC2)nn1 ZINC001058650955 739778749 /nfs/dbraw/zinc/77/87/49/739778749.db2.gz YIOYWEIZRVVPLK-CQSZACIVSA-N 1 2 337.387 0.789 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](Cc1cn(C)nn1)C2 ZINC000982023583 751487283 /nfs/dbraw/zinc/48/72/83/751487283.db2.gz NBKPVGQIHBTBDJ-CVEARBPZSA-N 1 2 345.447 0.831 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](Cc1cn(C)nn1)C2 ZINC000982023583 751487286 /nfs/dbraw/zinc/48/72/86/751487286.db2.gz NBKPVGQIHBTBDJ-CVEARBPZSA-N 1 2 345.447 0.831 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(=O)OC ZINC001025705745 739884961 /nfs/dbraw/zinc/88/49/61/739884961.db2.gz XTMWMVXDWUERPK-RNWYCLNJSA-N 1 2 343.221 0.751 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(=O)OC ZINC001025705745 739884966 /nfs/dbraw/zinc/88/49/66/739884966.db2.gz XTMWMVXDWUERPK-RNWYCLNJSA-N 1 2 343.221 0.751 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(N(C)C)cn3)[C@H]2C1 ZINC001083286896 740207705 /nfs/dbraw/zinc/20/77/05/740207705.db2.gz IPULWOJQBLBRLY-DLBZAZTESA-N 1 2 328.416 0.696 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(N(C)C)cn3)[C@H]2C1 ZINC001083286896 740207707 /nfs/dbraw/zinc/20/77/07/740207707.db2.gz IPULWOJQBLBRLY-DLBZAZTESA-N 1 2 328.416 0.696 20 30 ECEDLO CN(C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)C(=O)c1cc(C#N)c[nH]1 ZINC000988095173 751526081 /nfs/dbraw/zinc/52/60/81/751526081.db2.gz MYDCDJYMPFEWSF-CYBMUJFWSA-N 1 2 340.387 0.704 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000974180069 741063757 /nfs/dbraw/zinc/06/37/57/741063757.db2.gz KHHKFXQRVDJFQD-FQLMCAECSA-N 1 2 332.404 0.628 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[N@@H+]([C@@H](C)C(=O)NC3CC3)CC2)nn1 ZINC000982118228 751611024 /nfs/dbraw/zinc/61/10/24/751611024.db2.gz ZRLZXNMPUKYGKT-ZDUSSCGKSA-N 1 2 346.435 0.279 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[N@H+]([C@@H](C)C(=O)NC3CC3)CC2)nn1 ZINC000982118228 751611029 /nfs/dbraw/zinc/61/10/29/751611029.db2.gz ZRLZXNMPUKYGKT-ZDUSSCGKSA-N 1 2 346.435 0.279 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cn1 ZINC000974271758 741207516 /nfs/dbraw/zinc/20/75/16/741207516.db2.gz VOBCJDCPRNIWPN-QKPAOTATSA-N 1 2 349.394 0.967 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cn1 ZINC000974271758 741207521 /nfs/dbraw/zinc/20/75/21/741207521.db2.gz VOBCJDCPRNIWPN-QKPAOTATSA-N 1 2 349.394 0.967 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3n[nH]c(CC)c3Cl)C2)nn1 ZINC001105262082 741588088 /nfs/dbraw/zinc/58/80/88/741588088.db2.gz FNTQCJYCVSTMHL-UHFFFAOYSA-N 1 2 347.810 0.637 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(F)ccc3F)C2)nn1 ZINC001105262316 741590369 /nfs/dbraw/zinc/59/03/69/741590369.db2.gz VQMBXVLBHFYERF-UHFFFAOYSA-N 1 2 331.326 0.976 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3nccc4cccnc43)C2)nn1 ZINC001105262343 741593981 /nfs/dbraw/zinc/59/39/81/741593981.db2.gz WRJZMQORPGLOQX-UHFFFAOYSA-N 1 2 347.382 0.641 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCOCC(F)(F)F)C2)nn1 ZINC001105275227 741621479 /nfs/dbraw/zinc/62/14/79/741621479.db2.gz HMRCGYRUBDJCQR-UHFFFAOYSA-N 1 2 345.325 0.353 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)onc3C3CC3)C2)nn1 ZINC001105283027 741642740 /nfs/dbraw/zinc/64/27/40/741642740.db2.gz AUCLHQZFJKGSAP-UHFFFAOYSA-N 1 2 340.387 0.872 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(n2cc(C[NH2+]CC(=O)N(C)CC)nn2)C1 ZINC001105297151 741674518 /nfs/dbraw/zinc/67/45/18/741674518.db2.gz ILPGDPYFPPCNGY-UHFFFAOYSA-N 1 2 348.451 0.442 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105305785 741699557 /nfs/dbraw/zinc/69/95/57/741699557.db2.gz PCKFTHOCQMHBFE-LSDHHAIUSA-N 1 2 345.447 0.859 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccc(F)c(F)c3)C2)nn1 ZINC001105315671 741749484 /nfs/dbraw/zinc/74/94/84/741749484.db2.gz ZUQQNOHCDMIPOL-UHFFFAOYSA-N 1 2 345.353 0.905 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001105319089 741772178 /nfs/dbraw/zinc/77/21/78/741772178.db2.gz YMDPOCRRVYSUSM-MEDUHNTESA-N 1 2 334.424 0.227 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C4CC4)n[nH]3)C2)nn1 ZINC001105332807 741987592 /nfs/dbraw/zinc/98/75/92/741987592.db2.gz ABKDNTOWSMMGDP-UHFFFAOYSA-N 1 2 339.403 0.689 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2nnc(C)o2)CC1(C)C ZINC000974685817 742000776 /nfs/dbraw/zinc/00/07/76/742000776.db2.gz LLYDOZBXYOQWQO-GJZGRUSLSA-N 1 2 345.447 0.802 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2nnc(C)o2)CC1(C)C ZINC000974685817 742000781 /nfs/dbraw/zinc/00/07/81/742000781.db2.gz LLYDOZBXYOQWQO-GJZGRUSLSA-N 1 2 345.447 0.802 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)c[nH]1 ZINC000975216821 742612977 /nfs/dbraw/zinc/61/29/77/742612977.db2.gz ZPORIOGXZMRHLZ-ZDUSSCGKSA-N 1 2 340.387 0.751 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001028928562 742882895 /nfs/dbraw/zinc/88/28/95/742882895.db2.gz LGQXEMFVRFSFCS-JTQLQIEISA-N 1 2 336.783 0.222 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]([C@H](C)c3nnnn3C)C2)cn1 ZINC001028941620 742936716 /nfs/dbraw/zinc/93/67/16/742936716.db2.gz ZOPUDUDMDXVRJB-OLZOCXBDSA-N 1 2 339.403 0.399 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]([C@H](C)c3nnnn3C)C2)cn1 ZINC001028941620 742936718 /nfs/dbraw/zinc/93/67/18/742936718.db2.gz ZOPUDUDMDXVRJB-OLZOCXBDSA-N 1 2 339.403 0.399 20 30 ECEDLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCC#N)cc2)CC1 ZINC000427897730 742987454 /nfs/dbraw/zinc/98/74/54/742987454.db2.gz UATNCILPBDZNPD-UHFFFAOYSA-N 1 2 343.431 0.792 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001058754945 743075099 /nfs/dbraw/zinc/07/50/99/743075099.db2.gz LOHVSMQLAWWRPQ-OKILXGFUSA-N 1 2 336.399 0.956 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]21 ZINC000975766339 743294463 /nfs/dbraw/zinc/29/44/63/743294463.db2.gz XWDOFDMVAXNUCQ-YDHLFZDLSA-N 1 2 329.404 0.951 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]21 ZINC000975766339 743294473 /nfs/dbraw/zinc/29/44/73/743294473.db2.gz XWDOFDMVAXNUCQ-YDHLFZDLSA-N 1 2 329.404 0.951 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](OC)C3CCC3)C2)nn1 ZINC001098694695 743465918 /nfs/dbraw/zinc/46/59/18/743465918.db2.gz HFLQWNKDRGYANS-CVEARBPZSA-N 1 2 331.420 0.589 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)COCC(F)F)C2)nn1 ZINC001098695619 743598866 /nfs/dbraw/zinc/59/88/66/743598866.db2.gz ZXFGXRVYNOPQHO-CYBMUJFWSA-N 1 2 341.362 0.446 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCC3CCOCC3)C2)nn1 ZINC001105339274 744329805 /nfs/dbraw/zinc/32/98/05/744329805.db2.gz NGJWAXCVAHZWKN-UHFFFAOYSA-N 1 2 345.447 0.981 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000977158361 744726643 /nfs/dbraw/zinc/72/66/43/744726643.db2.gz CHEBHBQLRFAOAY-SVPLCASGSA-N 1 2 327.388 0.562 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3scnc3C)C2)nn1 ZINC001098626275 744870392 /nfs/dbraw/zinc/87/03/92/744870392.db2.gz NGPMPHVLMPPIGN-ZDUSSCGKSA-N 1 2 330.417 0.853 20 30 ECEDLO C#Cc1ccccc1CC(=O)N(C)C1CC([NH2+]Cc2nnn(C)n2)C1 ZINC000999753487 744886125 /nfs/dbraw/zinc/88/61/25/744886125.db2.gz NENPFJDMTYUQQC-UHFFFAOYSA-N 1 2 338.415 0.513 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](NC(=O)C[C@H]2COC(=O)C2)[C@@H](O)C1 ZINC001083406988 745009571 /nfs/dbraw/zinc/00/95/71/745009571.db2.gz DWDFKZSJDLOBSA-WQVCFCJDSA-N 1 2 343.383 0.173 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)C[C@H]2COC(=O)C2)[C@@H](O)C1 ZINC001083406988 745009576 /nfs/dbraw/zinc/00/95/76/745009576.db2.gz DWDFKZSJDLOBSA-WQVCFCJDSA-N 1 2 343.383 0.173 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C[C@@H]3COC(=O)C3)[C@@H](O)C2)s1 ZINC001083407132 745020913 /nfs/dbraw/zinc/02/09/13/745020913.db2.gz IVXPMSRSANHDHW-GDLCADMTSA-N 1 2 349.412 0.234 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C[C@@H]3COC(=O)C3)[C@@H](O)C2)s1 ZINC001083407132 745020918 /nfs/dbraw/zinc/02/09/18/745020918.db2.gz IVXPMSRSANHDHW-GDLCADMTSA-N 1 2 349.412 0.234 20 30 ECEDLO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3[nH]nc4c3CCC4)nn2)C1 ZINC001000001719 745165346 /nfs/dbraw/zinc/16/53/46/745165346.db2.gz FVJSHORKAZNJHX-CYBMUJFWSA-N 1 2 341.419 0.853 20 30 ECEDLO C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3[nH]nc4c3CCC4)nn2)C1 ZINC001000001719 745165347 /nfs/dbraw/zinc/16/53/47/745165347.db2.gz FVJSHORKAZNJHX-CYBMUJFWSA-N 1 2 341.419 0.853 20 30 ECEDLO C=CCC1(C(=O)N2CC(n3cc(C[NH2+]CC(N)=O)nn3)C2)CCCC1 ZINC001105384731 745257763 /nfs/dbraw/zinc/25/77/63/745257763.db2.gz NHCITKPPXWHCQC-UHFFFAOYSA-N 1 2 346.435 0.373 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C(C)(C)C1 ZINC000977659674 745352715 /nfs/dbraw/zinc/35/27/15/745352715.db2.gz KLWNVKWOAKJMDR-GHMZBOCLSA-N 1 2 327.812 0.618 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C(C)(C)C1 ZINC000977659674 745352719 /nfs/dbraw/zinc/35/27/19/745352719.db2.gz KLWNVKWOAKJMDR-GHMZBOCLSA-N 1 2 327.812 0.618 20 30 ECEDLO Cc1cc(C[N@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)sn1 ZINC001083413591 745489613 /nfs/dbraw/zinc/48/96/13/745489613.db2.gz WFYAFYYTPLAWMA-KGLIPLIRSA-N 1 2 331.401 0.626 20 30 ECEDLO Cc1cc(C[N@@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)sn1 ZINC001083413591 745489617 /nfs/dbraw/zinc/48/96/17/745489617.db2.gz WFYAFYYTPLAWMA-KGLIPLIRSA-N 1 2 331.401 0.626 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000977798289 745519670 /nfs/dbraw/zinc/51/96/70/745519670.db2.gz PUTHKUBCDILWKH-ZOBUZTSGSA-N 1 2 346.431 0.993 20 30 ECEDLO Cc1ncsc1C[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 ZINC001083413937 745530885 /nfs/dbraw/zinc/53/08/85/745530885.db2.gz DSHGATOHCMPBCD-OLZOCXBDSA-N 1 2 331.401 0.626 20 30 ECEDLO Cc1ncsc1C[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 ZINC001083413937 745530889 /nfs/dbraw/zinc/53/08/89/745530889.db2.gz DSHGATOHCMPBCD-OLZOCXBDSA-N 1 2 331.401 0.626 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001029311924 745678909 /nfs/dbraw/zinc/67/89/09/745678909.db2.gz HTBOODDAVBNPTB-QXSJWSMHSA-N 1 2 335.448 0.731 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001029311924 745678914 /nfs/dbraw/zinc/67/89/14/745678914.db2.gz HTBOODDAVBNPTB-QXSJWSMHSA-N 1 2 335.448 0.731 20 30 ECEDLO COCCN(CCNC(=O)Cc1c[nH]c[nH+]1)c1ncccc1C#N ZINC001126522911 745713628 /nfs/dbraw/zinc/71/36/28/745713628.db2.gz GHTSIMXITZOYNF-UHFFFAOYSA-N 1 2 328.376 0.488 20 30 ECEDLO N#Cc1nccc(N2C[C@H]3CC[C@@H](C2)N3C(=O)CCn2cc[nH+]c2)n1 ZINC001058792868 745763941 /nfs/dbraw/zinc/76/39/41/745763941.db2.gz SEFXPTDVAMWSMR-OKILXGFUSA-N 1 2 337.387 0.815 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2cn(C)nn2)C1 ZINC001027586404 745913528 /nfs/dbraw/zinc/91/35/28/745913528.db2.gz ZZEPAEAVSHDWBR-XHSDSOJGSA-N 1 2 333.436 0.829 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2cn(C)nn2)C1 ZINC001027586404 745913532 /nfs/dbraw/zinc/91/35/32/745913532.db2.gz ZZEPAEAVSHDWBR-XHSDSOJGSA-N 1 2 333.436 0.829 20 30 ECEDLO Cn1nccc1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001083433071 752050300 /nfs/dbraw/zinc/05/03/00/752050300.db2.gz TZEFSGVRYDFLEL-CABCVRRESA-N 1 2 345.428 0.257 20 30 ECEDLO Cn1nccc1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001083433071 752050302 /nfs/dbraw/zinc/05/03/02/752050302.db2.gz TZEFSGVRYDFLEL-CABCVRRESA-N 1 2 345.428 0.257 20 30 ECEDLO N#Cc1cnccc1N[C@H]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001059336476 745998780 /nfs/dbraw/zinc/99/87/80/745998780.db2.gz OUAAXLNKDOYPOX-BPLDGKMQSA-N 1 2 336.399 0.893 20 30 ECEDLO Cn1cnnc1C[NH+]1CCC(CNC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001001327213 746280936 /nfs/dbraw/zinc/28/09/36/746280936.db2.gz ISOQXLJPBWCQAJ-UHFFFAOYSA-N 1 2 327.392 0.657 20 30 ECEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@H]2COCCN2C(C)=O)CC1 ZINC001001461657 746400875 /nfs/dbraw/zinc/40/08/75/746400875.db2.gz MRALCTOIYKUMIR-OAHLLOKOSA-N 1 2 341.839 0.735 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@H]2COCCN2C(C)=O)CC1 ZINC001001461657 746400878 /nfs/dbraw/zinc/40/08/78/746400878.db2.gz MRALCTOIYKUMIR-OAHLLOKOSA-N 1 2 341.839 0.735 20 30 ECEDLO N#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC000978643241 746535783 /nfs/dbraw/zinc/53/57/83/746535783.db2.gz WWPYPYPALWJWSR-WCXIOVBPSA-N 1 2 332.448 0.447 20 30 ECEDLO N#CCN1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC000978643241 746535785 /nfs/dbraw/zinc/53/57/85/746535785.db2.gz WWPYPYPALWJWSR-WCXIOVBPSA-N 1 2 332.448 0.447 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2CC[NH+](Cc3ncnn3C)CC2)nc1 ZINC001002057394 746935663 /nfs/dbraw/zinc/93/56/63/746935663.db2.gz JNDMEGYYBCSXRG-UHFFFAOYSA-N 1 2 338.415 0.833 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@H](Nc3ccnc(C#N)n3)C2)c[nH+]1 ZINC001059449552 747025656 /nfs/dbraw/zinc/02/56/56/747025656.db2.gz MKEHZXSGQRUWOD-JOCQHMNTSA-N 1 2 339.403 0.770 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN(CC)CCO3)[C@@H]2C1 ZINC000979075339 747125645 /nfs/dbraw/zinc/12/56/45/747125645.db2.gz VZSIDUCCPHSGQI-APIJFGDWSA-N 1 2 327.856 0.754 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CN(CC)CCO3)[C@@H]2C1 ZINC000979075339 747125651 /nfs/dbraw/zinc/12/56/51/747125651.db2.gz VZSIDUCCPHSGQI-APIJFGDWSA-N 1 2 327.856 0.754 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H](C)C(=O)N(C)C)cn1 ZINC001029558837 747505955 /nfs/dbraw/zinc/50/59/55/747505955.db2.gz XURGURKVBCULJU-XYPHTWIQSA-N 1 2 340.427 0.828 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)C(=O)N(C)C)cn1 ZINC001029558837 747505957 /nfs/dbraw/zinc/50/59/57/747505957.db2.gz XURGURKVBCULJU-XYPHTWIQSA-N 1 2 340.427 0.828 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CC(F)(F)F)[C@H](OC)C2)C1=O ZINC001211975035 752192163 /nfs/dbraw/zinc/19/21/63/752192163.db2.gz PVBDATWSAXFILL-IJLUTSLNSA-N 1 2 349.353 0.541 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CC(F)(F)F)[C@H](OC)C2)C1=O ZINC001211975035 752192166 /nfs/dbraw/zinc/19/21/66/752192166.db2.gz PVBDATWSAXFILL-IJLUTSLNSA-N 1 2 349.353 0.541 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCC(NC(=O)c3ncccc3O)CC2)C1=O ZINC001002664303 747633481 /nfs/dbraw/zinc/63/34/81/747633481.db2.gz LAOGHBDZORWVCT-AWEZNQCLSA-N 1 2 344.415 0.768 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ccn(C)c3C)C2)nn1 ZINC001098722886 747691792 /nfs/dbraw/zinc/69/17/92/747691792.db2.gz QSTJEKYGHNQTMH-HNNXBMFYSA-N 1 2 326.404 0.735 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)c2cnn(C)c2CC)C1=O ZINC001038461253 747941424 /nfs/dbraw/zinc/94/14/24/747941424.db2.gz YMYWEEURGOEZBF-CJNGLKHVSA-N 1 2 345.447 0.574 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)c2cnn(C)c2CC)C1=O ZINC001038461253 747941428 /nfs/dbraw/zinc/94/14/28/747941428.db2.gz YMYWEEURGOEZBF-CJNGLKHVSA-N 1 2 345.447 0.574 20 30 ECEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1COC(=O)N1 ZINC001007261001 752233371 /nfs/dbraw/zinc/23/33/71/752233371.db2.gz OXLURECBDMGHPE-JKSUJKDBSA-N 1 2 345.374 0.866 20 30 ECEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1COC(=O)N1 ZINC001007261001 752233377 /nfs/dbraw/zinc/23/33/77/752233377.db2.gz OXLURECBDMGHPE-JKSUJKDBSA-N 1 2 345.374 0.866 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000979609785 748117701 /nfs/dbraw/zinc/11/77/01/748117701.db2.gz YFDLUJZEFVMUQY-AULYBMBSSA-N 1 2 340.387 0.785 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC000979614888 748123349 /nfs/dbraw/zinc/12/33/49/748123349.db2.gz SLGAXQDQQWLPTD-AULYBMBSSA-N 1 2 326.360 0.408 20 30 ECEDLO C=CCCn1cc(C(=O)NC2CC[NH+](Cc3nccn3C)CC2)nn1 ZINC001003766833 748874608 /nfs/dbraw/zinc/87/46/08/748874608.db2.gz STHNCLRAGGCVGT-UHFFFAOYSA-N 1 2 343.435 0.982 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001059645870 749090795 /nfs/dbraw/zinc/09/07/95/749090795.db2.gz JHABHEPDYQFSLK-HUUCEWRRSA-N 1 2 346.431 0.735 20 30 ECEDLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001212166346 761924830 /nfs/dbraw/zinc/92/48/30/761924830.db2.gz ZQEFHNOLCSHIGI-HZPDHXFCSA-N 1 2 347.390 0.129 20 30 ECEDLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1OC ZINC001212166346 761924832 /nfs/dbraw/zinc/92/48/32/761924832.db2.gz ZQEFHNOLCSHIGI-HZPDHXFCSA-N 1 2 347.390 0.129 20 30 ECEDLO C=C(C)C[NH+]1CCN(C(=O)N2CCN(C(=O)c3cc[nH]n3)CC2)CC1 ZINC000985825771 749182425 /nfs/dbraw/zinc/18/24/25/749182425.db2.gz OBWLALRTRQFDGB-UHFFFAOYSA-N 1 2 346.435 0.481 20 30 ECEDLO C=C(C)C[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccn[nH]3)CC2)CC1 ZINC000985825771 749182433 /nfs/dbraw/zinc/18/24/33/749182433.db2.gz OBWLALRTRQFDGB-UHFFFAOYSA-N 1 2 346.435 0.481 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3nccs3)CC2)CC1 ZINC000985828849 749191633 /nfs/dbraw/zinc/19/16/33/749191633.db2.gz ZKLQTCWBTWSVRI-UHFFFAOYSA-N 1 2 349.460 0.825 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccnnc3)CC2)CC1 ZINC000985828343 749193345 /nfs/dbraw/zinc/19/33/45/749193345.db2.gz SYFFHQGDXBVUEP-UHFFFAOYSA-N 1 2 344.419 0.158 20 30 ECEDLO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@H+]1CCS(C)(=O)=O ZINC001027936311 749601210 /nfs/dbraw/zinc/60/12/10/749601210.db2.gz HUHKZXXAQOAOKL-CQSZACIVSA-N 1 2 339.461 0.913 20 30 ECEDLO C=CCn1cccc1C(=O)NC[C@H]1CCC[N@@H+]1CCS(C)(=O)=O ZINC001027936311 749601215 /nfs/dbraw/zinc/60/12/15/749601215.db2.gz HUHKZXXAQOAOKL-CQSZACIVSA-N 1 2 339.461 0.913 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000980579858 749797689 /nfs/dbraw/zinc/79/76/89/749797689.db2.gz YRTIXBUFXUVLNY-XOUADPBQSA-N 1 2 346.431 0.565 20 30 ECEDLO C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001004740628 749803710 /nfs/dbraw/zinc/80/37/10/749803710.db2.gz HGHVGSVPEYIYBE-IAQYHMDHSA-N 1 2 340.387 0.819 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]c[nH]2)nc1 ZINC001004746216 749811333 /nfs/dbraw/zinc/81/13/33/749811333.db2.gz ARPLGGFXRMFCEN-OIISXLGYSA-N 1 2 349.394 0.890 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3cccc(F)c3)[C@@H](O)C2)C1=O ZINC001083318351 749859890 /nfs/dbraw/zinc/85/98/90/749859890.db2.gz OCFGKINGMVIDGW-OAGGEKHMSA-N 1 2 347.390 0.388 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3cccc(F)c3)[C@@H](O)C2)C1=O ZINC001083318351 749859895 /nfs/dbraw/zinc/85/98/95/749859895.db2.gz OCFGKINGMVIDGW-OAGGEKHMSA-N 1 2 347.390 0.388 20 30 ECEDLO Cn1nnnc1C[N@H+](C)CC1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001029953498 750060124 /nfs/dbraw/zinc/06/01/24/750060124.db2.gz YYVHTYMPGMLDPT-UHFFFAOYSA-N 1 2 342.407 0.394 20 30 ECEDLO Cn1nnnc1C[N@@H+](C)CC1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001029953498 750060128 /nfs/dbraw/zinc/06/01/28/750060128.db2.gz YYVHTYMPGMLDPT-UHFFFAOYSA-N 1 2 342.407 0.394 20 30 ECEDLO C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001004993061 750113578 /nfs/dbraw/zinc/11/35/78/750113578.db2.gz RVYGGVYKMRXPQL-DOMZBBRYSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C1 ZINC000986593161 750164406 /nfs/dbraw/zinc/16/44/06/750164406.db2.gz BVYGAFFJTVBYMQ-KFWWJZLASA-N 1 2 343.431 0.819 20 30 ECEDLO C#CCOCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001051415686 762022648 /nfs/dbraw/zinc/02/26/48/762022648.db2.gz CINXXEFXHNFJQG-ZIAGYGMSSA-N 1 2 332.404 0.345 20 30 ECEDLO CC[C@]1(C)C[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105351821 750465009 /nfs/dbraw/zinc/46/50/09/750465009.db2.gz KJBRRYDHYCVPQF-SJLPKXTDSA-N 1 2 345.447 0.837 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001088550396 750634840 /nfs/dbraw/zinc/63/48/40/750634840.db2.gz YXLGXFCTTQOEOI-WKPIXPDZSA-N 1 2 346.362 0.885 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001088550396 750634843 /nfs/dbraw/zinc/63/48/43/750634843.db2.gz YXLGXFCTTQOEOI-WKPIXPDZSA-N 1 2 346.362 0.885 20 30 ECEDLO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001005923382 750806011 /nfs/dbraw/zinc/80/60/11/750806011.db2.gz QCDQBTOYQHSHOU-LLVKDONJSA-N 1 2 326.360 0.360 20 30 ECEDLO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001005929976 750813998 /nfs/dbraw/zinc/81/39/98/750813998.db2.gz XEDROKCKJYJXRK-SNVBAGLBSA-N 1 2 326.360 0.429 20 30 ECEDLO C=CCOCC(=O)NCC[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001059820233 751076453 /nfs/dbraw/zinc/07/64/53/751076453.db2.gz SDMNQSLPWHDHCM-AWEZNQCLSA-N 1 2 334.420 0.900 20 30 ECEDLO C=CCOCC(=O)NCC[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001059820233 751076457 /nfs/dbraw/zinc/07/64/57/751076457.db2.gz SDMNQSLPWHDHCM-AWEZNQCLSA-N 1 2 334.420 0.900 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001006165771 751084273 /nfs/dbraw/zinc/08/42/73/751084273.db2.gz LAKAXERUPRMLMF-KMFMINBZSA-N 1 2 346.431 0.827 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C2CC[NH+](Cc3cn(C)nn3)CC2)nc1 ZINC001006304245 751222614 /nfs/dbraw/zinc/22/26/14/751222614.db2.gz XIMWDJYQEFQTKL-UHFFFAOYSA-N 1 2 338.415 0.928 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2ccn[nH]2)C1 ZINC001006317525 751239636 /nfs/dbraw/zinc/23/96/36/751239636.db2.gz HLTUVWFPBIWDGN-DOMZBBRYSA-N 1 2 329.404 0.084 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)c2ccn[nH]2)C1 ZINC001006317525 751239639 /nfs/dbraw/zinc/23/96/39/751239639.db2.gz HLTUVWFPBIWDGN-DOMZBBRYSA-N 1 2 329.404 0.084 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001007341682 752309362 /nfs/dbraw/zinc/30/93/62/752309362.db2.gz ASAMZUMDQQBEOZ-OAHLLOKOSA-N 1 2 325.376 0.326 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001007341682 752309367 /nfs/dbraw/zinc/30/93/67/752309367.db2.gz ASAMZUMDQQBEOZ-OAHLLOKOSA-N 1 2 325.376 0.326 20 30 ECEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1OC ZINC001212022403 752412074 /nfs/dbraw/zinc/41/20/74/752412074.db2.gz PBHRJRJUYPNAFW-RBSFLKMASA-N 1 2 339.436 0.015 20 30 ECEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCO[C@H](C)C2)C[C@H]1OC ZINC001212022403 752412079 /nfs/dbraw/zinc/41/20/79/752412079.db2.gz PBHRJRJUYPNAFW-RBSFLKMASA-N 1 2 339.436 0.015 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ncccc3Cl)C2)nn1 ZINC001105364907 752442292 /nfs/dbraw/zinc/44/22/92/752442292.db2.gz DBLAOPHDLHBVJY-UHFFFAOYSA-N 1 2 330.779 0.746 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)/C=C/C(C)(C)C)[C@H](OC)C1 ZINC001212051098 752444051 /nfs/dbraw/zinc/44/40/51/752444051.db2.gz RSTLWBKIMAQIGJ-GQZKFOEBSA-N 1 2 335.448 0.542 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)/C=C/C(C)(C)C)[C@H](OC)C1 ZINC001212051098 752444055 /nfs/dbraw/zinc/44/40/55/752444055.db2.gz RSTLWBKIMAQIGJ-GQZKFOEBSA-N 1 2 335.448 0.542 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](OC)C3CCCC3)C2)nn1 ZINC001105368142 752468295 /nfs/dbraw/zinc/46/82/95/752468295.db2.gz PTJCQNPNJIOXKU-QGZVFWFLSA-N 1 2 345.447 0.980 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C)c1 ZINC001014044352 762133510 /nfs/dbraw/zinc/13/35/10/762133510.db2.gz MJPNSYDXYYGBKE-BBRMVZONSA-N 1 2 337.383 0.679 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)[nH]1 ZINC000937845318 752555439 /nfs/dbraw/zinc/55/54/39/752555439.db2.gz UDEIRPDDVAXYAI-LBPRGKRZSA-N 1 2 326.360 0.573 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C2C(C)(C)C2(C)C)[C@H](OC)C1 ZINC001212073932 752607253 /nfs/dbraw/zinc/60/72/53/752607253.db2.gz XMXZFRSHIITPQM-CHWSQXEVSA-N 1 2 337.464 0.786 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C2C(C)(C)C2(C)C)[C@H](OC)C1 ZINC001212073932 752607257 /nfs/dbraw/zinc/60/72/57/752607257.db2.gz XMXZFRSHIITPQM-CHWSQXEVSA-N 1 2 337.464 0.786 20 30 ECEDLO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001007630977 752672741 /nfs/dbraw/zinc/67/27/41/752672741.db2.gz BSYWJBHUBCDADO-CQSZACIVSA-N 1 2 326.462 0.968 20 30 ECEDLO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 ZINC001007630977 752672743 /nfs/dbraw/zinc/67/27/43/752672743.db2.gz BSYWJBHUBCDADO-CQSZACIVSA-N 1 2 326.462 0.968 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2coc(C)c2)[C@H](OC)C1 ZINC001212170079 762154341 /nfs/dbraw/zinc/15/43/41/762154341.db2.gz FVTAHHJDIQDUCQ-BPLDGKMQSA-N 1 2 335.404 0.708 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2coc(C)c2)[C@H](OC)C1 ZINC001212170079 762154347 /nfs/dbraw/zinc/15/43/47/762154347.db2.gz FVTAHHJDIQDUCQ-BPLDGKMQSA-N 1 2 335.404 0.708 20 30 ECEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)CNC(C)=O ZINC001211774077 752696556 /nfs/dbraw/zinc/69/65/56/752696556.db2.gz LPLGOWZJZGSNAV-HZPDHXFCSA-N 1 2 348.378 0.149 20 30 ECEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)CNC(C)=O ZINC001211774077 752696559 /nfs/dbraw/zinc/69/65/59/752696559.db2.gz LPLGOWZJZGSNAV-HZPDHXFCSA-N 1 2 348.378 0.149 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCCCO2)[C@H](OC)C1 ZINC001212098159 752721787 /nfs/dbraw/zinc/72/17/87/752721787.db2.gz BPODSBZBOWZQGS-RBSFLKMASA-N 1 2 339.436 0.063 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CCCCO2)[C@H](OC)C1 ZINC001212098159 752721789 /nfs/dbraw/zinc/72/17/89/752721789.db2.gz BPODSBZBOWZQGS-RBSFLKMASA-N 1 2 339.436 0.063 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCCCO2)[C@H](OC)C1 ZINC001212098160 752721854 /nfs/dbraw/zinc/72/18/54/752721854.db2.gz BPODSBZBOWZQGS-RRFJBIMHSA-N 1 2 339.436 0.063 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCCCO2)[C@H](OC)C1 ZINC001212098160 752721855 /nfs/dbraw/zinc/72/18/55/752721855.db2.gz BPODSBZBOWZQGS-RRFJBIMHSA-N 1 2 339.436 0.063 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001007669353 752750353 /nfs/dbraw/zinc/75/03/53/752750353.db2.gz TVCNXTRRVQTEOW-SUMWQHHRSA-N 1 2 345.403 0.332 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001007669353 752750358 /nfs/dbraw/zinc/75/03/58/752750358.db2.gz TVCNXTRRVQTEOW-SUMWQHHRSA-N 1 2 345.403 0.332 20 30 ECEDLO CCn1ncc(C[N@@H+]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001028469627 752766699 /nfs/dbraw/zinc/76/66/99/752766699.db2.gz BWZLMKRGHIXJEG-GFCCVEGCSA-N 1 2 327.392 0.750 20 30 ECEDLO CCn1ncc(C[N@H+]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001028469627 752766701 /nfs/dbraw/zinc/76/67/01/752766701.db2.gz BWZLMKRGHIXJEG-GFCCVEGCSA-N 1 2 327.392 0.750 20 30 ECEDLO CC(C)n1nnnc1C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001028490155 752829191 /nfs/dbraw/zinc/82/91/91/752829191.db2.gz IFENDFGYEQQSLW-LBPRGKRZSA-N 1 2 342.407 0.706 20 30 ECEDLO CC(C)n1nnnc1C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001028490155 752829202 /nfs/dbraw/zinc/82/92/02/752829202.db2.gz IFENDFGYEQQSLW-LBPRGKRZSA-N 1 2 342.407 0.706 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3nn(C)cc3Cl)C2)nn1 ZINC001098679219 752896467 /nfs/dbraw/zinc/89/64/67/752896467.db2.gz VOTDIFBTPLLEFF-LBPRGKRZSA-N 1 2 347.810 0.475 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098679223 752906874 /nfs/dbraw/zinc/90/68/74/752906874.db2.gz VRPIZDMINICZRZ-ZDUSSCGKSA-N 1 2 334.424 0.229 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](OCC)C3CC3)C2)nn1 ZINC001098679307 752929193 /nfs/dbraw/zinc/92/91/93/752929193.db2.gz YBIVVCUPDNHLSR-HOTGVXAUSA-N 1 2 331.420 0.589 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)Oc3ccccc3)C2)nn1 ZINC001105369853 753046509 /nfs/dbraw/zinc/04/65/09/753046509.db2.gz NSRHLNKBMWOAPF-AWEZNQCLSA-N 1 2 339.399 0.852 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2nc(CC3CC3)no2)C1 ZINC001051494336 762205395 /nfs/dbraw/zinc/20/53/95/762205395.db2.gz HWCVFGYQDSSWKN-AAEUAGOBSA-N 1 2 333.392 0.499 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3CCNC3=O)C2)c(F)c1 ZINC001008180213 753430662 /nfs/dbraw/zinc/43/06/62/753430662.db2.gz YKPZWMSDZAZHQA-GJZGRUSLSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3CCNC3=O)C2)c(F)c1 ZINC001008180213 753430666 /nfs/dbraw/zinc/43/06/66/753430666.db2.gz YKPZWMSDZAZHQA-GJZGRUSLSA-N 1 2 344.390 0.914 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H]1C ZINC000989192336 753451623 /nfs/dbraw/zinc/45/16/23/753451623.db2.gz ATOPDDNRHKKNHO-YPMHNXCESA-N 1 2 340.387 0.880 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](NC(=O)c2ccc[nH]2)[C@@H](O)C1 ZINC001083336911 753600940 /nfs/dbraw/zinc/60/09/40/753600940.db2.gz SIRIVODPFMTXIA-CVEARBPZSA-N 1 2 340.383 0.870 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](NC(=O)c2ccc[nH]2)[C@@H](O)C1 ZINC001083336911 753600944 /nfs/dbraw/zinc/60/09/44/753600944.db2.gz SIRIVODPFMTXIA-CVEARBPZSA-N 1 2 340.383 0.870 20 30 ECEDLO C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O)n1cccn1 ZINC001083350225 753641296 /nfs/dbraw/zinc/64/12/96/753641296.db2.gz IUNWMYDZFOSVOO-DFBGVHRSSA-N 1 2 345.428 0.739 20 30 ECEDLO C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O)n1cccn1 ZINC001083350225 753641300 /nfs/dbraw/zinc/64/13/00/753641300.db2.gz IUNWMYDZFOSVOO-DFBGVHRSSA-N 1 2 345.428 0.739 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C3CC(C)C3)C2)nn1 ZINC001098649156 753644763 /nfs/dbraw/zinc/64/47/63/753644763.db2.gz LTOCFEOAAAEDAV-DQPZFDDXSA-N 1 2 345.447 0.837 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC[C@H]3CCOC3)C2)nn1 ZINC001098649222 753652033 /nfs/dbraw/zinc/65/20/33/753652033.db2.gz MSGXKRCLNRLRDC-HOCLYGCPSA-N 1 2 331.420 0.591 20 30 ECEDLO N#Cc1cc(C[N@@H+]2C[C@@H](NC(=O)Cc3ccon3)[C@@H](O)C2)ccc1F ZINC001083374810 753722053 /nfs/dbraw/zinc/72/20/53/753722053.db2.gz UBEKGEURXSRBGY-CVEARBPZSA-N 1 2 344.346 0.589 20 30 ECEDLO N#Cc1cc(C[N@H+]2C[C@@H](NC(=O)Cc3ccon3)[C@@H](O)C2)ccc1F ZINC001083374810 753722060 /nfs/dbraw/zinc/72/20/60/753722060.db2.gz UBEKGEURXSRBGY-CVEARBPZSA-N 1 2 344.346 0.589 20 30 ECEDLO CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001105494457 753739269 /nfs/dbraw/zinc/73/92/69/753739269.db2.gz TUXZUPYEMHPMSI-CYBMUJFWSA-N 1 2 339.403 0.702 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)c1 ZINC001008470744 753774486 /nfs/dbraw/zinc/77/44/86/753774486.db2.gz WPQHJISCRDSPSB-KRWDZBQOSA-N 1 2 340.427 0.880 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)c1 ZINC001008470744 753774491 /nfs/dbraw/zinc/77/44/91/753774491.db2.gz WPQHJISCRDSPSB-KRWDZBQOSA-N 1 2 340.427 0.880 20 30 ECEDLO N#Cc1cc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)ccc1F ZINC001008547148 753897729 /nfs/dbraw/zinc/89/77/29/753897729.db2.gz NBGPJSJSBAOELO-ZNMIVQPWSA-N 1 2 344.390 0.899 20 30 ECEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)ccc1F ZINC001008547148 753897737 /nfs/dbraw/zinc/89/77/37/753897737.db2.gz NBGPJSJSBAOELO-ZNMIVQPWSA-N 1 2 344.390 0.899 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3ccnnc3)C2)C1=O ZINC001008640950 753982469 /nfs/dbraw/zinc/98/24/69/753982469.db2.gz MMWHHSCTIAZKMO-HUUCEWRRSA-N 1 2 329.404 0.458 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3ccnnc3)C2)C1=O ZINC001008640950 753982474 /nfs/dbraw/zinc/98/24/74/753982474.db2.gz MMWHHSCTIAZKMO-HUUCEWRRSA-N 1 2 329.404 0.458 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3ccnnc3)C2)C1=O ZINC001008640947 753982489 /nfs/dbraw/zinc/98/24/89/753982489.db2.gz MMWHHSCTIAZKMO-GJZGRUSLSA-N 1 2 329.404 0.458 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3ccnnc3)C2)C1=O ZINC001008640947 753982495 /nfs/dbraw/zinc/98/24/95/753982495.db2.gz MMWHHSCTIAZKMO-GJZGRUSLSA-N 1 2 329.404 0.458 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3csnn3)C[C@@H]2C)nn1 ZINC000989538023 754097508 /nfs/dbraw/zinc/09/75/08/754097508.db2.gz ZKWRXKAFJQNCQC-WDEREUQCSA-N 1 2 333.421 0.708 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cn3cncn3)CC2)s1 ZINC000989619584 754197172 /nfs/dbraw/zinc/19/71/72/754197172.db2.gz NJIFGTIEZUMHBF-UHFFFAOYSA-N 1 2 330.417 0.946 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cn3cncn3)CC2)s1 ZINC000989619584 754197173 /nfs/dbraw/zinc/19/71/73/754197173.db2.gz NJIFGTIEZUMHBF-UHFFFAOYSA-N 1 2 330.417 0.946 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001059072285 754279868 /nfs/dbraw/zinc/27/98/68/754279868.db2.gz SBLWCRAWZYZNFC-MJBXVCDLSA-N 1 2 346.435 0.850 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C)c1 ZINC000989801373 754439064 /nfs/dbraw/zinc/43/90/64/754439064.db2.gz FNJIOTWLPKDFAO-DOMZBBRYSA-N 1 2 337.383 0.748 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)c1 ZINC000983034522 754478673 /nfs/dbraw/zinc/47/86/73/754478673.db2.gz WEGBGLOHRPCJAO-ZDUSSCGKSA-N 1 2 340.387 0.751 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001009095516 754535283 /nfs/dbraw/zinc/53/52/83/754535283.db2.gz JVGBZHSKQLCCNM-LLVKDONJSA-N 1 2 342.827 0.650 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC001009095516 754535286 /nfs/dbraw/zinc/53/52/86/754535286.db2.gz JVGBZHSKQLCCNM-LLVKDONJSA-N 1 2 342.827 0.650 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cccc4[nH+]ccn43)[C@@H]2C1 ZINC001009251151 754709973 /nfs/dbraw/zinc/70/99/73/754709973.db2.gz OAKYMCQRFPVJQH-SYQHCUMBSA-N 1 2 337.383 0.928 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NC3CC3)C2)nc1 ZINC001009256267 754714328 /nfs/dbraw/zinc/71/43/28/754714328.db2.gz YKLBTWGJVJLNJJ-HNNXBMFYSA-N 1 2 326.400 0.536 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=O)NC3CC3)C2)nc1 ZINC001009256267 754714334 /nfs/dbraw/zinc/71/43/34/754714334.db2.gz YKLBTWGJVJLNJJ-HNNXBMFYSA-N 1 2 326.400 0.536 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)cn1 ZINC001009268851 754725288 /nfs/dbraw/zinc/72/52/88/754725288.db2.gz LQVATSRIZLDXNZ-QGZVFWFLSA-N 1 2 340.427 0.880 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)cn1 ZINC001009268851 754725290 /nfs/dbraw/zinc/72/52/90/754725290.db2.gz LQVATSRIZLDXNZ-QGZVFWFLSA-N 1 2 340.427 0.880 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccnnc3C)C2)nn1 ZINC001098688818 755071453 /nfs/dbraw/zinc/07/14/53/755071453.db2.gz ZOUCTJXROASPAQ-OAHLLOKOSA-N 1 2 339.403 0.577 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001060039749 755281024 /nfs/dbraw/zinc/28/10/24/755281024.db2.gz IENVJXXYUHZLQN-KBXCAEBGSA-N 1 2 348.447 0.943 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001083470530 755285250 /nfs/dbraw/zinc/28/52/50/755285250.db2.gz YBLQYZBNYZISDO-WCVJEAGWSA-N 1 2 334.420 0.063 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@@H]1O ZINC001083470530 755285254 /nfs/dbraw/zinc/28/52/54/755285254.db2.gz YBLQYZBNYZISDO-WCVJEAGWSA-N 1 2 334.420 0.063 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@H](CNc2ccnc(C#N)n2)C1 ZINC001060041185 755328489 /nfs/dbraw/zinc/32/84/89/755328489.db2.gz QPNLVNUMIHMUDA-CYBMUJFWSA-N 1 2 339.403 0.397 20 30 ECEDLO CCCCNC(=O)Cc1noc(C[NH2+]CCNC(=O)C#CC(C)C)n1 ZINC001126815339 755509117 /nfs/dbraw/zinc/50/91/17/755509117.db2.gz ARXNNGKRNPIWNR-UHFFFAOYSA-N 1 2 349.435 0.394 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000990711577 755705649 /nfs/dbraw/zinc/70/56/49/755705649.db2.gz SVFLJZBZEYLDOM-CHWSQXEVSA-N 1 2 338.371 0.364 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001098658080 755743147 /nfs/dbraw/zinc/74/31/47/755743147.db2.gz BTVQPMANCHQZRR-OAHLLOKOSA-N 1 2 337.387 0.678 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2ccsc2)C1 ZINC001149137872 755827182 /nfs/dbraw/zinc/82/71/82/755827182.db2.gz RRSDJEJPRBMHNU-CYBMUJFWSA-N 1 2 336.417 0.209 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2ccsc2)C1 ZINC001149137872 755827189 /nfs/dbraw/zinc/82/71/89/755827189.db2.gz RRSDJEJPRBMHNU-CYBMUJFWSA-N 1 2 336.417 0.209 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@@H]1O ZINC001083526040 755919131 /nfs/dbraw/zinc/91/91/31/755919131.db2.gz YETUCQYOFFSLPK-ZBFHGGJFSA-N 1 2 330.388 0.946 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@@H]1O ZINC001083526040 755919136 /nfs/dbraw/zinc/91/91/36/755919136.db2.gz YETUCQYOFFSLPK-ZBFHGGJFSA-N 1 2 330.388 0.946 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)[C@H]1C ZINC001088828599 755959739 /nfs/dbraw/zinc/95/97/39/755959739.db2.gz OLAIHPBZESGINB-KXUCPTDWSA-N 1 2 331.214 0.155 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)[C@H]1C ZINC001088828599 755959744 /nfs/dbraw/zinc/95/97/44/755959744.db2.gz OLAIHPBZESGINB-KXUCPTDWSA-N 1 2 331.214 0.155 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3c(C)ccn3C)C2)nn1 ZINC001098661429 756054044 /nfs/dbraw/zinc/05/40/44/756054044.db2.gz MBBYPKOHRBHSAI-HNNXBMFYSA-N 1 2 326.404 0.735 20 30 ECEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3C#N)C2)C1 ZINC001010427609 756124745 /nfs/dbraw/zinc/12/47/45/756124745.db2.gz MDIJOJGTZXCZIR-DLBZAZTESA-N 1 2 328.416 0.579 20 30 ECEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3C#N)C2)C1 ZINC001010427609 756124748 /nfs/dbraw/zinc/12/47/48/756124748.db2.gz MDIJOJGTZXCZIR-DLBZAZTESA-N 1 2 328.416 0.579 20 30 ECEDLO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001010457856 756152276 /nfs/dbraw/zinc/15/22/76/756152276.db2.gz OPGOUQKERRQGSN-GFCCVEGCSA-N 1 2 326.360 0.689 20 30 ECEDLO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001010457856 756152278 /nfs/dbraw/zinc/15/22/78/756152278.db2.gz OPGOUQKERRQGSN-GFCCVEGCSA-N 1 2 326.360 0.689 20 30 ECEDLO COc1ncc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)c(C)n1 ZINC001010459214 756154057 /nfs/dbraw/zinc/15/40/57/756154057.db2.gz XHZARZRBYNNOGY-AWEZNQCLSA-N 1 2 340.387 0.998 20 30 ECEDLO COc1ncc(C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)c(C)n1 ZINC001010459214 756154058 /nfs/dbraw/zinc/15/40/58/756154058.db2.gz XHZARZRBYNNOGY-AWEZNQCLSA-N 1 2 340.387 0.998 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC3OCCCO3)C2)nn1 ZINC001098662257 756197972 /nfs/dbraw/zinc/19/79/72/756197972.db2.gz ZRUULEAPWLCQSR-OAHLLOKOSA-N 1 2 347.419 0.318 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001076263664 756300915 /nfs/dbraw/zinc/30/09/15/756300915.db2.gz NQBOKFWPFFTKCB-XZDPQHSOSA-N 1 2 331.420 0.439 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cn(C)nn3)C[C@H]21 ZINC001076263664 756300920 /nfs/dbraw/zinc/30/09/20/756300920.db2.gz NQBOKFWPFFTKCB-XZDPQHSOSA-N 1 2 331.420 0.439 20 30 ECEDLO CCn1nnc(C)c1C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010646084 756345921 /nfs/dbraw/zinc/34/59/21/756345921.db2.gz VOBIEBAYKRVNHA-ZDUSSCGKSA-N 1 2 327.392 0.811 20 30 ECEDLO CCn1nnc(C)c1C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010646084 756345925 /nfs/dbraw/zinc/34/59/25/756345925.db2.gz VOBIEBAYKRVNHA-ZDUSSCGKSA-N 1 2 327.392 0.811 20 30 ECEDLO O=C(C#CC1CC1)N1CCCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001010723621 756444304 /nfs/dbraw/zinc/44/43/04/756444304.db2.gz UJRHYSZRLUNQKM-UHFFFAOYSA-N 1 2 326.400 0.748 20 30 ECEDLO Cn1nncc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010823696 756571076 /nfs/dbraw/zinc/57/10/76/756571076.db2.gz QPJOTBUJMKAJSO-ZDUSSCGKSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1nncc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010823696 756571079 /nfs/dbraw/zinc/57/10/79/756571079.db2.gz QPJOTBUJMKAJSO-ZDUSSCGKSA-N 1 2 328.351 0.830 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC3(OC)CCC3)C2)nn1 ZINC001098663537 756575896 /nfs/dbraw/zinc/57/58/96/756575896.db2.gz FWTIINMEWXUKKI-HNNXBMFYSA-N 1 2 331.420 0.734 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001010830286 756577799 /nfs/dbraw/zinc/57/77/99/756577799.db2.gz MTGCTJJBWZTJSM-ZDUSSCGKSA-N 1 2 329.404 0.573 20 30 ECEDLO C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001076506124 756590330 /nfs/dbraw/zinc/59/03/30/756590330.db2.gz LWGPZHTWQYIVKW-GJZGRUSLSA-N 1 2 346.431 0.496 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C(C)=O)CCO3)[C@@H]2C1 ZINC001076517795 756594583 /nfs/dbraw/zinc/59/45/83/756594583.db2.gz XSUWZTNOFUPQFA-ZNMIVQPWSA-N 1 2 341.839 0.519 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C(C)=O)CCO3)[C@@H]2C1 ZINC001076517795 756594588 /nfs/dbraw/zinc/59/45/88/756594588.db2.gz XSUWZTNOFUPQFA-ZNMIVQPWSA-N 1 2 341.839 0.519 20 30 ECEDLO Cn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)nn1 ZINC001010849691 756599469 /nfs/dbraw/zinc/59/94/69/756599469.db2.gz HJVADYGLFGCYQN-ZDUSSCGKSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)nn1 ZINC001010849691 756599474 /nfs/dbraw/zinc/59/94/74/756599474.db2.gz HJVADYGLFGCYQN-ZDUSSCGKSA-N 1 2 328.351 0.830 20 30 ECEDLO C[C@]12CN(C(=O)C#CC3CC3)C[C@@]1(C)CN(C(=O)Cn1cc[nH+]c1)C2 ZINC001010975535 756719296 /nfs/dbraw/zinc/71/92/96/756719296.db2.gz OLPYQHWXWJYCJO-KDURUIRLSA-N 1 2 340.427 0.994 20 30 ECEDLO COC1CC(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)C1 ZINC001083551500 756776655 /nfs/dbraw/zinc/77/66/55/756776655.db2.gz OUZAXPQNLOJQLW-HIEASXQVSA-N 1 2 328.412 0.624 20 30 ECEDLO COC1CC(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)C1 ZINC001083551500 756776658 /nfs/dbraw/zinc/77/66/58/756776658.db2.gz OUZAXPQNLOJQLW-HIEASXQVSA-N 1 2 328.412 0.624 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)nc1 ZINC001011061705 756856649 /nfs/dbraw/zinc/85/66/49/756856649.db2.gz HLEDCNOILILHPH-UHFFFAOYSA-N 1 2 337.383 0.703 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)on1 ZINC001076727746 756923732 /nfs/dbraw/zinc/92/37/32/756923732.db2.gz XXZOLZHMGIWIDB-HUUCEWRRSA-N 1 2 326.356 0.830 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)on1 ZINC001076727746 756923734 /nfs/dbraw/zinc/92/37/34/756923734.db2.gz XXZOLZHMGIWIDB-HUUCEWRRSA-N 1 2 326.356 0.830 20 30 ECEDLO Cc1nnc(C[N@H+]2C[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]3C2)[nH]1 ZINC001048772153 756945615 /nfs/dbraw/zinc/94/56/15/756945615.db2.gz SXXQRQLNDIGDCQ-TXEJJXNPSA-N 1 2 325.376 0.517 20 30 ECEDLO Cc1nnc(C[N@@H+]2C[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]3C2)[nH]1 ZINC001048772153 756945618 /nfs/dbraw/zinc/94/56/18/756945618.db2.gz SXXQRQLNDIGDCQ-TXEJJXNPSA-N 1 2 325.376 0.517 20 30 ECEDLO CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1O ZINC001048810853 757069470 /nfs/dbraw/zinc/06/94/70/757069470.db2.gz IIUQPPPMETXASI-HOTGVXAUSA-N 1 2 346.431 0.042 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)[nH]n1 ZINC001076774414 757085703 /nfs/dbraw/zinc/08/57/03/757085703.db2.gz SJTQUBKIIRCAIP-ZIAGYGMSSA-N 1 2 331.401 0.626 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)[nH]n1 ZINC001076774414 757085705 /nfs/dbraw/zinc/08/57/05/757085705.db2.gz SJTQUBKIIRCAIP-ZIAGYGMSSA-N 1 2 331.401 0.626 20 30 ECEDLO CC1(C)CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[C@@H]1NCC#N ZINC000996186637 757092324 /nfs/dbraw/zinc/09/23/24/757092324.db2.gz AMNZROFWZYCFBT-CVEARBPZSA-N 1 2 334.464 0.980 20 30 ECEDLO CC1(C)CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[C@@H]1NCC#N ZINC000996186637 757092334 /nfs/dbraw/zinc/09/23/34/757092334.db2.gz AMNZROFWZYCFBT-CVEARBPZSA-N 1 2 334.464 0.980 20 30 ECEDLO C#CCCCC(=O)N1CC[C@@H](n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001098666800 757110258 /nfs/dbraw/zinc/11/02/58/757110258.db2.gz HPJRDLZNVCLCDF-QGZVFWFLSA-N 1 2 343.431 0.594 20 30 ECEDLO CN(C(=O)C#CC(C)(C)C)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001048832662 757137098 /nfs/dbraw/zinc/13/70/98/757137098.db2.gz RPVMQVVDEPDZER-KBPBESRZSA-N 1 2 332.404 0.032 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C[C@@](C)(O)C3CC3)nn2)C1 ZINC001107160874 757184993 /nfs/dbraw/zinc/18/49/93/757184993.db2.gz NPRLXZRUSCTVEU-QGZVFWFLSA-N 1 2 331.420 0.325 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](OCC)C(C)C)nn2)C1 ZINC001107171442 757218773 /nfs/dbraw/zinc/21/87/73/757218773.db2.gz ZDKGXIKZYXRSBQ-INIZCTEOSA-N 1 2 333.436 0.835 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCc3ccn(C)n3)nn2)C1 ZINC001107176631 757256386 /nfs/dbraw/zinc/25/63/86/757256386.db2.gz FJVCYGZTTCBZHN-UHFFFAOYSA-N 1 2 341.419 0.141 20 30 ECEDLO N#Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCOC3)C2)ccc1F ZINC001076824182 757276844 /nfs/dbraw/zinc/27/68/44/757276844.db2.gz YPXLXCVVKBOLRZ-KBRIMQKVSA-N 1 2 347.390 0.785 20 30 ECEDLO N#Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCOC3)C2)ccc1F ZINC001076824182 757276852 /nfs/dbraw/zinc/27/68/52/757276852.db2.gz YPXLXCVVKBOLRZ-KBRIMQKVSA-N 1 2 347.390 0.785 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)Cc3ccn(CC)n3)nn2)C1 ZINC001107173400 757277535 /nfs/dbraw/zinc/27/75/35/757277535.db2.gz AYESIIUTLZJTBK-UHFFFAOYSA-N 1 2 343.435 0.786 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)[C@@H](C)COC)nn2)C1 ZINC001107179833 757296786 /nfs/dbraw/zinc/29/67/86/757296786.db2.gz SZJBXXCIWWXESF-KBPBESRZSA-N 1 2 333.436 0.693 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3C(C)(C)C3(C)C)C2)C1=O ZINC001076851508 757347199 /nfs/dbraw/zinc/34/71/99/757347199.db2.gz OLFCZHRLKYSKPJ-MGPQQGTHSA-N 1 2 349.475 0.617 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3C(C)(C)C3(C)C)C2)C1=O ZINC001076851508 757347211 /nfs/dbraw/zinc/34/72/11/757347211.db2.gz OLFCZHRLKYSKPJ-MGPQQGTHSA-N 1 2 349.475 0.617 20 30 ECEDLO CCc1nc(C)c(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC001076855876 757398752 /nfs/dbraw/zinc/39/87/52/757398752.db2.gz RAZUTLHHVBHVRJ-ZIAGYGMSSA-N 1 2 343.387 0.720 20 30 ECEDLO CCc1nc(C)c(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC001076855876 757398761 /nfs/dbraw/zinc/39/87/61/757398761.db2.gz RAZUTLHHVBHVRJ-ZIAGYGMSSA-N 1 2 343.387 0.720 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)[nH]1 ZINC001021415976 757411237 /nfs/dbraw/zinc/41/12/37/757411237.db2.gz XODLBYSNQBWHLL-XHDPSFHLSA-N 1 2 338.371 0.525 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H](OC)[C@H]3CCOC3)nn2)C1 ZINC001107190536 757438029 /nfs/dbraw/zinc/43/80/29/757438029.db2.gz WLTCPSRFCPXNNB-XJKSGUPXSA-N 1 2 349.435 0.379 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)C1CCC(O)CC1 ZINC001076939566 757685891 /nfs/dbraw/zinc/68/58/91/757685891.db2.gz KLNPZOXGVHKZPN-CSODTCANSA-N 1 2 342.439 0.751 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)C1CCC(O)CC1 ZINC001076939566 757685896 /nfs/dbraw/zinc/68/58/96/757685896.db2.gz KLNPZOXGVHKZPN-CSODTCANSA-N 1 2 342.439 0.751 20 30 ECEDLO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001049019136 757709724 /nfs/dbraw/zinc/70/97/24/757709724.db2.gz FZKZITQCEYSHMV-KBMXLJTQSA-N 1 2 346.431 0.442 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc[nH]c3CC)C2)C1=O ZINC001076957107 757746942 /nfs/dbraw/zinc/74/69/42/757746942.db2.gz KEWDKFGBPMYCQD-OWCLPIDISA-N 1 2 346.431 0.139 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc[nH]c3CC)C2)C1=O ZINC001076957107 757746952 /nfs/dbraw/zinc/74/69/52/757746952.db2.gz KEWDKFGBPMYCQD-OWCLPIDISA-N 1 2 346.431 0.139 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC3(F)F)C2)s1 ZINC001076968897 757774865 /nfs/dbraw/zinc/77/48/65/757774865.db2.gz AOXNGIHUZHAHAO-QJPTWQEYSA-N 1 2 327.356 0.936 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC3(F)F)C2)s1 ZINC001076968897 757774873 /nfs/dbraw/zinc/77/48/73/757774873.db2.gz AOXNGIHUZHAHAO-QJPTWQEYSA-N 1 2 327.356 0.936 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)COCc3ccncc3)nn2)C1 ZINC001107221597 757861603 /nfs/dbraw/zinc/86/16/03/757861603.db2.gz DFCFZKQINRNRKB-UHFFFAOYSA-N 1 2 342.403 0.549 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C[C@@H]3CCCCC(=O)N3)nn2)C1 ZINC001107233826 757976069 /nfs/dbraw/zinc/97/60/69/757976069.db2.gz QUKNFEITUZLDEZ-ZDUSSCGKSA-N 1 2 346.435 0.386 20 30 ECEDLO C=CCC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001049111922 757990627 /nfs/dbraw/zinc/99/06/27/757990627.db2.gz XSFIFNUULANRPE-GJZGRUSLSA-N 1 2 348.447 0.595 20 30 ECEDLO O=C(CC#Cc1ccccc1)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001107238428 758031788 /nfs/dbraw/zinc/03/17/88/758031788.db2.gz WKQBVYOZZGPLLW-UHFFFAOYSA-N 1 2 339.399 0.185 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCn3cc(C)cn3)nn2)C1 ZINC001107238790 758034098 /nfs/dbraw/zinc/03/40/98/758034098.db2.gz PYXLATJCTMHMGC-UHFFFAOYSA-N 1 2 341.419 0.370 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)NC/C=C/CNc1ccnc(C#N)n1 ZINC001107297191 758195452 /nfs/dbraw/zinc/19/54/52/758195452.db2.gz 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C=C[C@@H](CC)CC(=O)N(C)[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1O ZINC001049277025 758469333 /nfs/dbraw/zinc/46/93/33/758469333.db2.gz ZJRFBFYAZSIYCK-KKUMJFAQSA-N 1 2 348.447 0.975 20 30 ECEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)c3cn[nH]c3)CC2)C1 ZINC001105691786 758569109 /nfs/dbraw/zinc/56/91/09/758569109.db2.gz XIRVVUCRTUXLSX-UHFFFAOYSA-N 1 2 334.420 0.918 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3ccnc3)n2)C1 ZINC001077274944 758664890 /nfs/dbraw/zinc/66/48/90/758664890.db2.gz KPYVYMZELXNIQZ-HUUCEWRRSA-N 1 2 325.372 0.066 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3ccnc3)n2)C1 ZINC001077274944 758664896 /nfs/dbraw/zinc/66/48/96/758664896.db2.gz KPYVYMZELXNIQZ-HUUCEWRRSA-N 1 2 325.372 0.066 20 30 ECEDLO Cn1ncc(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)c2c[nH]c(C#N)c2)n1 ZINC001049426733 758671320 /nfs/dbraw/zinc/67/13/20/758671320.db2.gz YKFISSUNAOHKKI-HZPDHXFCSA-N 1 2 339.403 0.894 20 30 ECEDLO Cn1ncc(C[N@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)c2c[nH]c(C#N)c2)n1 ZINC001049426733 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C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001051230272 761726379 /nfs/dbraw/zinc/72/63/79/761726379.db2.gz HLIQJSHJAISBPF-HZPDHXFCSA-N 1 2 339.436 0.017 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001051230272 761726384 /nfs/dbraw/zinc/72/63/84/761726384.db2.gz HLIQJSHJAISBPF-HZPDHXFCSA-N 1 2 339.436 0.017 20 30 ECEDLO C#CCOCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001051252860 761769721 /nfs/dbraw/zinc/76/97/21/761769721.db2.gz XGPYULHCWIBFDX-CABCVRRESA-N 1 2 346.431 0.356 20 30 ECEDLO CC(C)C#CC(=O)N[C@@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001051261712 761786032 /nfs/dbraw/zinc/78/60/32/761786032.db2.gz UKALKSXPSIQRON-GJZGRUSLSA-N 1 2 330.432 0.975 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C(N)=O)nc1 ZINC001051269321 761798682 /nfs/dbraw/zinc/79/86/82/761798682.db2.gz SHDLPMQKALMSIT-AWEZNQCLSA-N 1 2 332.404 0.577 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C(N)=O)nc1 ZINC001051269321 761798684 /nfs/dbraw/zinc/79/86/84/761798684.db2.gz SHDLPMQKALMSIT-AWEZNQCLSA-N 1 2 332.404 0.577 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001017543312 768098463 /nfs/dbraw/zinc/09/84/63/768098463.db2.gz XYKHNRWZXWGUTF-MRVWCRGKSA-N 1 2 327.388 0.948 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001017543312 768098469 /nfs/dbraw/zinc/09/84/69/768098469.db2.gz XYKHNRWZXWGUTF-MRVWCRGKSA-N 1 2 327.388 0.948 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC000991737129 763058026 /nfs/dbraw/zinc/05/80/26/763058026.db2.gz XBMYLPQYWYLIDA-CHWSQXEVSA-N 1 2 334.420 0.633 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2nnc(C)o2)C1 ZINC001051833904 763075841 /nfs/dbraw/zinc/07/58/41/763075841.db2.gz AIBXJIZLNBRWCX-MCIONIFRSA-N 1 2 336.392 0.286 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001105965460 763081896 /nfs/dbraw/zinc/08/18/96/763081896.db2.gz BIDIVHUZNSFSOT-KBPBESRZSA-N 1 2 335.408 0.145 20 30 ECEDLO C#CCOCCC(=O)NC[C@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001105967283 763092784 /nfs/dbraw/zinc/09/27/84/763092784.db2.gz YPOUUZUQYWWICP-CQSZACIVSA-N 1 2 332.404 0.591 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001046815625 763167567 /nfs/dbraw/zinc/16/75/67/763167567.db2.gz YWPHSGOKGRNEDT-DZGCQCFKSA-N 1 2 329.828 0.567 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001046815625 763167574 /nfs/dbraw/zinc/16/75/74/763167574.db2.gz YWPHSGOKGRNEDT-DZGCQCFKSA-N 1 2 329.828 0.567 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2O)C1 ZINC000991766218 763333561 /nfs/dbraw/zinc/33/35/61/763333561.db2.gz XUFXZKOZQRCEKH-LSDHHAIUSA-N 1 2 346.431 0.777 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2O)C1 ZINC000991766218 763333567 /nfs/dbraw/zinc/33/35/67/763333567.db2.gz XUFXZKOZQRCEKH-LSDHHAIUSA-N 1 2 346.431 0.777 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001014882071 763363118 /nfs/dbraw/zinc/36/31/18/763363118.db2.gz FRGRFGPAGCDKEI-RISCZKNCSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001014883194 763365464 /nfs/dbraw/zinc/36/54/64/763365464.db2.gz VIRJSSDHFQBMFN-WFASDCNBSA-N 1 2 340.387 0.892 20 30 ECEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)[C@H]1CCNC1=O ZINC001031896886 763427155 /nfs/dbraw/zinc/42/71/55/763427155.db2.gz LNOKIYLZZJWYNH-INIZCTEOSA-N 1 2 345.830 0.876 20 30 ECEDLO C=CCN1CC[C@@H](N2CC[NH+]([C@H]3CCN(C(=O)CC)C3)CC2)C1=O ZINC001051957314 763449478 /nfs/dbraw/zinc/44/94/78/763449478.db2.gz DYFTYJUQRYUJIK-JKSUJKDBSA-N 1 2 334.464 0.402 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN([C@H]3CCN(C(=O)CC)C3)CC2)C1=O ZINC001051957314 763449482 /nfs/dbraw/zinc/44/94/82/763449482.db2.gz DYFTYJUQRYUJIK-JKSUJKDBSA-N 1 2 334.464 0.402 20 30 ECEDLO CN1C(=O)CC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031901623 763475438 /nfs/dbraw/zinc/47/54/38/763475438.db2.gz IWMXULSMEPAVCS-INIZCTEOSA-N 1 2 344.390 0.866 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@]23C[C@H]2COC3)C1=O ZINC001017569314 768139139 /nfs/dbraw/zinc/13/91/39/768139139.db2.gz LAYLYNQICIGKSI-NAHJCDBISA-N 1 2 345.443 0.485 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@]23C[C@H]2COC3)C1=O ZINC001017569314 768139145 /nfs/dbraw/zinc/13/91/45/768139145.db2.gz LAYLYNQICIGKSI-NAHJCDBISA-N 1 2 345.443 0.485 20 30 ECEDLO C=CCN1CC[C@@H](N2CC[NH+]([C@@H]3CCN(C(=O)C(C)C)C3)CC2)C1=O ZINC001051984188 763516058 /nfs/dbraw/zinc/51/60/58/763516058.db2.gz DAHFCIUIBQHGAU-IAGOWNOFSA-N 1 2 348.491 0.648 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN([C@@H]3CCN(C(=O)C(C)C)C3)CC2)C1=O ZINC001051984188 763516063 /nfs/dbraw/zinc/51/60/63/763516063.db2.gz DAHFCIUIBQHGAU-IAGOWNOFSA-N 1 2 348.491 0.648 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)n3cccn3)C2)CC1 ZINC001051990074 763528023 /nfs/dbraw/zinc/52/80/23/763528023.db2.gz LPZBDKJDMYPYQS-DLBZAZTESA-N 1 2 329.448 0.686 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCOC3)C2)CC1 ZINC001051991826 763533188 /nfs/dbraw/zinc/53/31/88/763533188.db2.gz MGQOEBYUBCSNJD-LSDHHAIUSA-N 1 2 327.856 0.994 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(Cc3cnn(C)c3)CC2)C1 ZINC001051998238 763549670 /nfs/dbraw/zinc/54/96/70/763549670.db2.gz PYKJTGNHFADARO-GOEBONIOSA-N 1 2 330.436 0.298 20 30 ECEDLO Cc1cc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)on1 ZINC001051998603 763551570 /nfs/dbraw/zinc/55/15/70/763551570.db2.gz WEMCCTWZGNDWEL-ZFWWWQNUSA-N 1 2 331.420 0.861 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(Cc3cccnc3)CC2)C1 ZINC001051998584 763551657 /nfs/dbraw/zinc/55/16/57/763551657.db2.gz VYHJMOYCTUOJGU-DOTOQJQBSA-N 1 2 327.432 0.960 20 30 ECEDLO Cc1nn(C)cc1CN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001051998370 763551743 /nfs/dbraw/zinc/55/17/43/763551743.db2.gz SAKLKIXZIPAUGQ-PBHICJAKSA-N 1 2 344.463 0.607 20 30 ECEDLO Cc1nn(C)cc1C[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001051998370 763551750 /nfs/dbraw/zinc/55/17/50/763551750.db2.gz SAKLKIXZIPAUGQ-PBHICJAKSA-N 1 2 344.463 0.607 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc[nH]c(=O)c3)C2)CC1 ZINC001052010786 763579465 /nfs/dbraw/zinc/57/94/65/763579465.db2.gz GMQPSGHUDFICEB-MRXNPFEDSA-N 1 2 328.416 0.643 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)CC1 ZINC001052013254 763585294 /nfs/dbraw/zinc/58/52/94/763585294.db2.gz UGIZQCDUPWVPRD-QGZVFWFLSA-N 1 2 325.416 0.742 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)CO[C@H]3CCOC3)C2)CC1 ZINC001052025478 763615595 /nfs/dbraw/zinc/61/55/95/763615595.db2.gz FOJOKXLRIPGFHU-SJORKVTESA-N 1 2 335.448 0.034 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3c(Cl)cnn3C)C2)CC1 ZINC001052027774 763622664 /nfs/dbraw/zinc/62/26/64/763622664.db2.gz JOGYFSXKWYMRCX-ZDUSSCGKSA-N 1 2 335.839 0.539 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c(Cl)cnn3C)C2)CC1 ZINC001052027765 763622753 /nfs/dbraw/zinc/62/27/53/763622753.db2.gz JOGYFSXKWYMRCX-CYBMUJFWSA-N 1 2 335.839 0.539 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3OCC[C@H]3C(C)C)C2)CC1 ZINC001052028778 763625147 /nfs/dbraw/zinc/62/51/47/763625147.db2.gz SZOMBOUQZRDFHK-BZSNNMDCSA-N 1 2 333.476 0.899 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)CC1 ZINC001052030423 763629665 /nfs/dbraw/zinc/62/96/65/763629665.db2.gz NUPDEYCHCZNNOW-BRWVUGGUSA-N 1 2 346.475 0.143 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc4n(n3)CCC4)C2)CC1 ZINC001052035801 763645193 /nfs/dbraw/zinc/64/51/93/763645193.db2.gz QITCJZNWZJJRAM-MRXNPFEDSA-N 1 2 329.448 0.847 20 30 ECEDLO Cc1[nH]nc(Cl)c1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052036795 763650970 /nfs/dbraw/zinc/65/09/70/763650970.db2.gz VIJZJBVDSZSUHP-GFCCVEGCSA-N 1 2 336.827 0.727 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc4n(n3)CCO4)C2)CC1 ZINC001052037278 763653658 /nfs/dbraw/zinc/65/36/58/763653658.db2.gz JLXJQNQSOLLCHH-CQSZACIVSA-N 1 2 331.420 0.294 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn[nH]c(=O)c3)C2)CC1 ZINC001052041606 763667745 /nfs/dbraw/zinc/66/77/45/763667745.db2.gz MLEWSSKGQXFPST-OAHLLOKOSA-N 1 2 329.404 0.038 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3nc(CC)c[nH]3)C2)CC1 ZINC001052041831 763669472 /nfs/dbraw/zinc/66/94/72/763669472.db2.gz SJHZZGLVSKRYOW-QGZVFWFLSA-N 1 2 343.475 0.756 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@]3(C)CCNC(=O)C3)C2)CC1 ZINC001052042336 763671036 /nfs/dbraw/zinc/67/10/36/763671036.db2.gz AYJIJKLEUYTZMA-APWZRJJASA-N 1 2 346.475 0.145 20 30 ECEDLO C=CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)S(C)(=O)=O)C2)CC1 ZINC001052043122 763673850 /nfs/dbraw/zinc/67/38/50/763673850.db2.gz PJEZYRMMTFXISQ-CABCVRRESA-N 1 2 343.493 0.214 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001052044692 763679842 /nfs/dbraw/zinc/67/98/42/763679842.db2.gz LVZDGJJSJLVXMD-QWHCGFSZSA-N 1 2 349.460 0.810 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)C[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001052044692 763679846 /nfs/dbraw/zinc/67/98/46/763679846.db2.gz LVZDGJJSJLVXMD-QWHCGFSZSA-N 1 2 349.460 0.810 20 30 ECEDLO CCCc1n[nH]cc1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052048400 763696598 /nfs/dbraw/zinc/69/65/98/763696598.db2.gz SBJXELKUVDHIBP-CQSZACIVSA-N 1 2 330.436 0.718 20 30 ECEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)c2cccc3[nH+]ccn32)nc1 ZINC001106017339 763704032 /nfs/dbraw/zinc/70/40/32/763704032.db2.gz HMYKPMHTUVKXQN-CYBMUJFWSA-N 1 2 336.355 0.804 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc4nccn4c3)C2)CC1 ZINC001052052646 763717384 /nfs/dbraw/zinc/71/73/84/763717384.db2.gz SMDPQDAHXRJTKO-MRXNPFEDSA-N 1 2 340.431 0.747 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)CC1 ZINC001052053192 763719199 /nfs/dbraw/zinc/71/91/99/763719199.db2.gz GOFNVYCWJZGZPH-VVLHAWIVSA-N 1 2 332.448 0.544 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(Cc3cnn(C)n3)CC2)C1 ZINC001052063358 763749654 /nfs/dbraw/zinc/74/96/54/763749654.db2.gz UKFYZCGCAUHILG-MRXNPFEDSA-N 1 2 346.479 0.746 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCN(C)C3=O)C2)CC1 ZINC001052064880 763753130 /nfs/dbraw/zinc/75/31/30/763753130.db2.gz IJCGDPDXXCLZED-HOTGVXAUSA-N 1 2 334.464 0.259 20 30 ECEDLO Cn1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)[nH]c1=O ZINC001031951950 763756211 /nfs/dbraw/zinc/75/62/11/763756211.db2.gz YXXULVNOHOWONC-UHFFFAOYSA-N 1 2 343.362 0.998 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc4n3CCCC4)C2)CC1 ZINC001052068298 763762083 /nfs/dbraw/zinc/76/20/83/763762083.db2.gz DXJHFYSSRSSEMX-HNNXBMFYSA-N 1 2 342.447 0.575 20 30 ECEDLO C=CCCC1(C(=O)N2CC(O)(CNC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001047177747 763770800 /nfs/dbraw/zinc/77/08/00/763770800.db2.gz WCOYZDFENQMTGZ-UHFFFAOYSA-N 1 2 332.404 0.388 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)CC3=CCOCC3)C2)CC1 ZINC001052074331 763779683 /nfs/dbraw/zinc/77/96/83/763779683.db2.gz AMSQXKPZJIDEQF-GOSISDBHSA-N 1 2 331.460 0.965 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)Oc3cccnc3)C2)CC1 ZINC001052079520 763792963 /nfs/dbraw/zinc/79/29/63/763792963.db2.gz BWIRISIIKQDVOX-SJORKVTESA-N 1 2 342.443 0.701 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ncn(C(C)(C)C)n3)C2)CC1 ZINC001052084296 763807982 /nfs/dbraw/zinc/80/79/82/763807982.db2.gz USETZFBFCDJBRE-OAHLLOKOSA-N 1 2 344.463 0.498 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ncn(C(C)(C)C)n3)C2)CC1 ZINC001052084296 763807989 /nfs/dbraw/zinc/80/79/89/763807989.db2.gz USETZFBFCDJBRE-OAHLLOKOSA-N 1 2 344.463 0.498 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)Cn3ccc(C)n3)C2)CC1 ZINC001052085249 763811066 /nfs/dbraw/zinc/81/10/66/763811066.db2.gz BKQSRXGKRKMQKL-KRWDZBQOSA-N 1 2 329.448 0.433 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCO[C@H]3C=C)C2)CC1 ZINC001052089163 763823880 /nfs/dbraw/zinc/82/38/80/763823880.db2.gz OQIIIOVCEALALQ-KSZLIROESA-N 1 2 331.460 0.819 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3coc(C4CC4)n3)C2)CC1 ZINC001052092973 763834992 /nfs/dbraw/zinc/83/49/92/763834992.db2.gz IACKXIKWEKCYER-AWEZNQCLSA-N 1 2 329.404 0.908 20 30 ECEDLO Cc1ncc(Cl)c(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052093724 763838436 /nfs/dbraw/zinc/83/84/36/763838436.db2.gz RRKWZJHSOWYUHP-ZDUSSCGKSA-N 1 2 348.838 0.794 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCCN1C(=O)C#CC1CC1 ZINC001015087703 763856130 /nfs/dbraw/zinc/85/61/30/763856130.db2.gz VTCJEDKKSCYBAL-CZUORRHYSA-N 1 2 328.416 0.872 20 30 ECEDLO Cc1c(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)nnn1C(C)C ZINC001052102255 763866878 /nfs/dbraw/zinc/86/68/78/763866878.db2.gz CXOCXJCAUSUECL-HNNXBMFYSA-N 1 2 345.451 0.523 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)Cc3cnn(C)c3)C2)CC1 ZINC001052103737 763870918 /nfs/dbraw/zinc/87/09/18/763870918.db2.gz UEJKPTQOZFKXIU-FUHWJXTLSA-N 1 2 343.475 0.450 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(C)nn(C)c3F)C2)CC1 ZINC001052113074 763910736 /nfs/dbraw/zinc/91/07/36/763910736.db2.gz LTPGBMQGRQBOIA-OAHLLOKOSA-N 1 2 347.438 0.723 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)CCn3cc(C)cn3)C2)CC1 ZINC001052121813 763943904 /nfs/dbraw/zinc/94/39/04/763943904.db2.gz HUGGVAFRTHJNDV-GOSISDBHSA-N 1 2 343.475 0.823 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)c3cnn(C)c3)C2)CC1 ZINC001052123902 763951513 /nfs/dbraw/zinc/95/15/13/763951513.db2.gz SUDKNSJOARJCRF-SJLPKXTDSA-N 1 2 343.475 0.765 20 30 ECEDLO CCOc1cccnc1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052126017 763955183 /nfs/dbraw/zinc/95/51/83/763955183.db2.gz GBFAQUSCZCUSEI-HNNXBMFYSA-N 1 2 343.431 0.836 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC34CCOCC4)C2)CC1 ZINC001052131684 763962641 /nfs/dbraw/zinc/96/26/41/763962641.db2.gz WZXZDWGIYLYLEB-DLBZAZTESA-N 1 2 331.460 0.655 20 30 ECEDLO CN(C(=O)[C@H]1CCOC1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@@H]1O ZINC001047322340 763991295 /nfs/dbraw/zinc/99/12/95/763991295.db2.gz OSXNIXPPGXKXFI-XIRDDKMYSA-N 1 2 347.390 0.737 20 30 ECEDLO CN(C(=O)[C@H]1CCOC1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H]1O ZINC001047322340 763991300 /nfs/dbraw/zinc/99/13/00/763991300.db2.gz OSXNIXPPGXKXFI-XIRDDKMYSA-N 1 2 347.390 0.737 20 30 ECEDLO N#CCSCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001047335965 764039903 /nfs/dbraw/zinc/03/99/03/764039903.db2.gz SKZDWQQXLBUDMW-XQQFMLRXSA-N 1 2 347.444 0.705 20 30 ECEDLO Cc1nccnc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001047353495 764088942 /nfs/dbraw/zinc/08/89/42/764088942.db2.gz CLPIIHUNNLMBHX-HOTGVXAUSA-N 1 2 340.387 0.302 20 30 ECEDLO Cc1nccnc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001047353495 764088947 /nfs/dbraw/zinc/08/89/47/764088947.db2.gz CLPIIHUNNLMBHX-HOTGVXAUSA-N 1 2 340.387 0.302 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)(F)F)n(C)n2)C1 ZINC001047394325 764202263 /nfs/dbraw/zinc/20/22/63/764202263.db2.gz BEJGROGPYYYMMW-QWRGUYRKSA-N 1 2 330.310 0.189 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)(F)F)n(C)n2)C1 ZINC001047394325 764202273 /nfs/dbraw/zinc/20/22/73/764202273.db2.gz BEJGROGPYYYMMW-QWRGUYRKSA-N 1 2 330.310 0.189 20 30 ECEDLO C#CCOc1ccc(C(=O)NCC2C[NH+](CC(=O)N(C)C)C2)cc1 ZINC001032032940 764215220 /nfs/dbraw/zinc/21/52/20/764215220.db2.gz MSZZPJJIGTZSDN-UHFFFAOYSA-N 1 2 329.400 0.448 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H](O)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001106066556 764276009 /nfs/dbraw/zinc/27/60/09/764276009.db2.gz GXBNDFOBBCVPRY-ZIAGYGMSSA-N 1 2 347.463 0.956 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H](O)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106066556 764276019 /nfs/dbraw/zinc/27/60/19/764276019.db2.gz GXBNDFOBBCVPRY-ZIAGYGMSSA-N 1 2 347.463 0.956 20 30 ECEDLO Cn1ncc(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001032051030 764322644 /nfs/dbraw/zinc/32/26/44/764322644.db2.gz OIBYQKOCNASSAF-UHFFFAOYSA-N 1 2 328.351 0.688 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)n([C@@H](C)C3CC3)n2)C1 ZINC001047437228 764342043 /nfs/dbraw/zinc/34/20/43/764342043.db2.gz OBLSPYBTYLNTTI-JQFCIGGWSA-N 1 2 330.432 0.913 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C)n([C@@H](C)C3CC3)n2)C1 ZINC001047437228 764342051 /nfs/dbraw/zinc/34/20/51/764342051.db2.gz OBLSPYBTYLNTTI-JQFCIGGWSA-N 1 2 330.432 0.913 20 30 ECEDLO CN(C(=O)c1cncn1C)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047446320 764370899 /nfs/dbraw/zinc/37/08/99/764370899.db2.gz AVGHRNJONRMNRB-GJZGRUSLSA-N 1 2 345.428 0.671 20 30 ECEDLO CN(C(=O)c1cncn1C)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047446320 764370907 /nfs/dbraw/zinc/37/09/07/764370907.db2.gz AVGHRNJONRMNRB-GJZGRUSLSA-N 1 2 345.428 0.671 20 30 ECEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001052383559 764379733 /nfs/dbraw/zinc/37/97/33/764379733.db2.gz GOLZIUNPWOUNKO-CHWSQXEVSA-N 1 2 340.387 0.607 20 30 ECEDLO C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001052392399 764402015 /nfs/dbraw/zinc/40/20/15/764402015.db2.gz STWITZGZQFEWTA-AAEUAGOBSA-N 1 2 340.387 0.676 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cnnn2C)[C@@H]1C ZINC001088913993 764434778 /nfs/dbraw/zinc/43/47/78/764434778.db2.gz BYBPTYLZGMAGBX-OEAJRASXSA-N 1 2 333.436 0.875 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cnnn2C)[C@@H]1C ZINC001088913993 764434782 /nfs/dbraw/zinc/43/47/82/764434782.db2.gz BYBPTYLZGMAGBX-OEAJRASXSA-N 1 2 333.436 0.875 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCS(C)(=O)=O)[C@@H]1C ZINC001088914266 764436490 /nfs/dbraw/zinc/43/64/90/764436490.db2.gz STJQQJOZVNNBRA-QPSCCSFWSA-N 1 2 344.477 0.591 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCS(C)(=O)=O)[C@@H]1C ZINC001088914266 764436497 /nfs/dbraw/zinc/43/64/97/764436497.db2.gz STJQQJOZVNNBRA-QPSCCSFWSA-N 1 2 344.477 0.591 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC001047479767 764467269 /nfs/dbraw/zinc/46/72/69/764467269.db2.gz WMYAXKMMFNPGFO-GJZGRUSLSA-N 1 2 325.372 0.018 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC001047479767 764467271 /nfs/dbraw/zinc/46/72/71/764467271.db2.gz WMYAXKMMFNPGFO-GJZGRUSLSA-N 1 2 325.372 0.018 20 30 ECEDLO C[C@]1(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)CNC(=O)C1 ZINC001015374223 764469344 /nfs/dbraw/zinc/46/93/44/764469344.db2.gz BEIHOJWHOANCSH-QFBILLFUSA-N 1 2 343.402 0.894 20 30 ECEDLO C[C@]1(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)CNC(=O)C1 ZINC001015374223 764469346 /nfs/dbraw/zinc/46/93/46/764469346.db2.gz BEIHOJWHOANCSH-QFBILLFUSA-N 1 2 343.402 0.894 20 30 ECEDLO CN(C(=O)c1n[nH]cc1F)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047517993 764570885 /nfs/dbraw/zinc/57/08/85/764570885.db2.gz NNUYPAYUFANFNO-STQMWFEESA-N 1 2 349.391 0.799 20 30 ECEDLO CN(C(=O)c1n[nH]cc1F)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047517993 764570893 /nfs/dbraw/zinc/57/08/93/764570893.db2.gz NNUYPAYUFANFNO-STQMWFEESA-N 1 2 349.391 0.799 20 30 ECEDLO O=C(C#CC1CC1)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1)C2 ZINC001047523018 764584412 /nfs/dbraw/zinc/58/44/12/764584412.db2.gz OTJISDXPKRGKSG-XHSDSOJGSA-N 1 2 326.400 0.792 20 30 ECEDLO C[C@@H]1CCO[C@@H]1C(=O)N(C)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047533754 764619076 /nfs/dbraw/zinc/61/90/76/764619076.db2.gz IXRPSTGKBSZENZ-BVBHFADKSA-N 1 2 342.439 0.967 20 30 ECEDLO C[C@@H]1CCO[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047533754 764619081 /nfs/dbraw/zinc/61/90/81/764619081.db2.gz IXRPSTGKBSZENZ-BVBHFADKSA-N 1 2 342.439 0.967 20 30 ECEDLO C=C(Br)CN1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001047543608 764644288 /nfs/dbraw/zinc/64/42/88/764644288.db2.gz BENOSVGYYWJTAH-RYUDHWBXSA-N 1 2 343.225 0.364 20 30 ECEDLO C=C1CCC(C(=O)NC[C@H](O)CNc2[nH+]cnc3c2cnn3C)CC1 ZINC001106079931 764684961 /nfs/dbraw/zinc/68/49/61/764684961.db2.gz FRDYNYQZLCEKAQ-CYBMUJFWSA-N 1 2 344.419 0.999 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2noc3c2C[C@H](C)CC3)C1 ZINC001047582175 764770221 /nfs/dbraw/zinc/77/02/21/764770221.db2.gz IEPRLZKVTNFRPT-SNPRPXQTSA-N 1 2 331.416 0.940 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2noc3c2C[C@H](C)CC3)C1 ZINC001047582175 764770227 /nfs/dbraw/zinc/77/02/27/764770227.db2.gz IEPRLZKVTNFRPT-SNPRPXQTSA-N 1 2 331.416 0.940 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2C[NH+](CC(=O)N(C)C3CC3)C2)nc1 ZINC001032135213 764783407 /nfs/dbraw/zinc/78/34/07/764783407.db2.gz NDTCMLFLTUBIOR-UHFFFAOYSA-N 1 2 326.400 0.345 20 30 ECEDLO C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1CN(c1cncc(C#N)n1)C2 ZINC001052596197 764822539 /nfs/dbraw/zinc/82/25/39/764822539.db2.gz HJLWCDDMJDBQDW-PXAZEXFGSA-N 1 2 337.387 0.599 20 30 ECEDLO C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1CN(c1cnc(C#N)cn1)C2 ZINC001052596379 764823339 /nfs/dbraw/zinc/82/33/39/764823339.db2.gz OJZUOYJATVJNAH-PXAZEXFGSA-N 1 2 337.387 0.599 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccns2)C[C@H]1OC ZINC001212194849 764909827 /nfs/dbraw/zinc/90/98/27/764909827.db2.gz YSRPJYSETRJDOR-UMVBOHGHSA-N 1 2 325.434 0.786 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ccns2)C[C@H]1OC ZINC001212194849 764909833 /nfs/dbraw/zinc/90/98/33/764909833.db2.gz YSRPJYSETRJDOR-UMVBOHGHSA-N 1 2 325.434 0.786 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccns2)C[C@H]1OC ZINC001212194848 764910286 /nfs/dbraw/zinc/91/02/86/764910286.db2.gz YSRPJYSETRJDOR-NFAWXSAZSA-N 1 2 325.434 0.786 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ccns2)C[C@H]1OC ZINC001212194848 764910288 /nfs/dbraw/zinc/91/02/88/764910288.db2.gz YSRPJYSETRJDOR-NFAWXSAZSA-N 1 2 325.434 0.786 20 30 ECEDLO CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001015600594 765037004 /nfs/dbraw/zinc/03/70/04/765037004.db2.gz HCUNJRAWHUHLND-DLBZAZTESA-N 1 2 343.402 0.989 20 30 ECEDLO CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001015600594 765037011 /nfs/dbraw/zinc/03/70/11/765037011.db2.gz HCUNJRAWHUHLND-DLBZAZTESA-N 1 2 343.402 0.989 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000991986547 765067207 /nfs/dbraw/zinc/06/72/07/765067207.db2.gz DPBOKCCQRZKUFI-RDJZCZTQSA-N 1 2 346.431 0.972 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3nncn3C)CC2)nn1 ZINC001052775315 765097471 /nfs/dbraw/zinc/09/74/71/765097471.db2.gz SMDNWVFWSUHQFK-CYBMUJFWSA-N 1 2 344.423 0.377 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3nncn3C)CC2)nn1 ZINC001052775315 765097479 /nfs/dbraw/zinc/09/74/79/765097479.db2.gz SMDNWVFWSUHQFK-CYBMUJFWSA-N 1 2 344.423 0.377 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001015697642 765183093 /nfs/dbraw/zinc/18/30/93/765183093.db2.gz XXMSRXFKMKMGGA-OWCLPIDISA-N 1 2 342.399 0.282 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001015697642 765183098 /nfs/dbraw/zinc/18/30/98/765183098.db2.gz XXMSRXFKMKMGGA-OWCLPIDISA-N 1 2 342.399 0.282 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3nncn3C)CC2)cn1 ZINC001052877868 765282738 /nfs/dbraw/zinc/28/27/38/765282738.db2.gz XZZINLJUHRKNKP-INIZCTEOSA-N 1 2 338.415 0.976 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3nncn3C)CC2)cn1 ZINC001052877868 765282746 /nfs/dbraw/zinc/28/27/46/765282746.db2.gz XZZINLJUHRKNKP-INIZCTEOSA-N 1 2 338.415 0.976 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000992066242 765345697 /nfs/dbraw/zinc/34/56/97/765345697.db2.gz FOLPIDBBQVMACV-HIFRSBDPSA-N 1 2 332.404 0.569 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnnn3C)C2)cc1 ZINC001015809211 765365547 /nfs/dbraw/zinc/36/55/47/765365547.db2.gz KGLPCGPVMQWDOG-OAHLLOKOSA-N 1 2 339.399 0.831 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cnnn3C)C2)cc1 ZINC001015809211 765365556 /nfs/dbraw/zinc/36/55/56/765365556.db2.gz KGLPCGPVMQWDOG-OAHLLOKOSA-N 1 2 339.399 0.831 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3cnccn3)C2)nn1 ZINC001015810655 765369900 /nfs/dbraw/zinc/36/99/00/765369900.db2.gz OXRZSAKDNSHOFT-CHWSQXEVSA-N 1 2 327.392 0.819 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3cnccn3)C2)nn1 ZINC001015810655 765369911 /nfs/dbraw/zinc/36/99/11/765369911.db2.gz OXRZSAKDNSHOFT-CHWSQXEVSA-N 1 2 327.392 0.819 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(=O)NC3CC3)C2)nn1 ZINC001015820553 765383748 /nfs/dbraw/zinc/38/37/48/765383748.db2.gz IKCXTGQILNMKES-TZMCWYRMSA-N 1 2 346.435 0.325 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(=O)NC3CC3)C2)nn1 ZINC001015820553 765383754 /nfs/dbraw/zinc/38/37/54/765383754.db2.gz IKCXTGQILNMKES-TZMCWYRMSA-N 1 2 346.435 0.325 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)c(F)c1 ZINC001016031441 765734618 /nfs/dbraw/zinc/73/46/18/765734618.db2.gz PJSWCPHDQZJWAX-HIFRSBDPSA-N 1 2 330.363 0.666 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C2)c(F)c1 ZINC001016031441 765734626 /nfs/dbraw/zinc/73/46/26/765734626.db2.gz PJSWCPHDQZJWAX-HIFRSBDPSA-N 1 2 330.363 0.666 20 30 ECEDLO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1cn(CCOC)nn1)CCO2 ZINC001053250297 765841152 /nfs/dbraw/zinc/84/11/52/765841152.db2.gz MOZHXSYXHFCQRD-UHFFFAOYSA-N 1 2 349.435 0.418 20 30 ECEDLO N#CCN1CC2(C1)CN(C(=O)Cc1cn3c([nH+]1)CCCC3)CCO2 ZINC001053262727 765862189 /nfs/dbraw/zinc/86/21/89/765862189.db2.gz BDGVUZPOQVRQMA-UHFFFAOYSA-N 1 2 329.404 0.199 20 30 ECEDLO C=CCn1c(Cc2noc([C@H](C)[NH+](C)C)n2)nnc1N1CCOCC1 ZINC000350598352 765868688 /nfs/dbraw/zinc/86/86/88/765868688.db2.gz BVRWBYHMHPFJQH-LBPRGKRZSA-N 1 2 347.423 0.897 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cccn3nnnc13)CCO2 ZINC001053273064 765879971 /nfs/dbraw/zinc/87/99/71/765879971.db2.gz QQRAVPMTCOOGPR-UHFFFAOYSA-N 1 2 328.376 0.227 20 30 ECEDLO C#CCN1CC2(C1)CN(C(=O)[C@@H]1CCc3[nH+]c(C)[nH]c3C1)CCO2 ZINC001053316141 765957209 /nfs/dbraw/zinc/95/72/09/765957209.db2.gz MYXBTWYAUSKBOM-CQSZACIVSA-N 1 2 328.416 0.369 20 30 ECEDLO C#CCN1CC2(C1)CN(C(=O)[C@@H]1CCc3[nH]c(C)[nH+]c3C1)CCO2 ZINC001053316141 765957213 /nfs/dbraw/zinc/95/72/13/765957213.db2.gz MYXBTWYAUSKBOM-CQSZACIVSA-N 1 2 328.416 0.369 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@@H](C)N1CCCC1=O)CCO2 ZINC001053506819 766255855 /nfs/dbraw/zinc/25/58/55/766255855.db2.gz RALVCLHACXFXSL-OAHLLOKOSA-N 1 2 335.448 0.877 20 30 ECEDLO C[C@@H](CCNc1ccnc(C#N)n1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001106485668 768365946 /nfs/dbraw/zinc/36/59/46/768365946.db2.gz RNXAVWZZJADABP-QWHCGFSZSA-N 1 2 339.403 0.536 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](CC)N1CCCC1=O)CCO2 ZINC001053537291 766300556 /nfs/dbraw/zinc/30/05/56/766300556.db2.gz ZPWZAKPWPSHVLO-HNNXBMFYSA-N 1 2 335.448 0.877 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccn3nnnc13)O2 ZINC001053604269 766414368 /nfs/dbraw/zinc/41/43/68/766414368.db2.gz AJXIIUURLLMPRX-GFCCVEGCSA-N 1 2 328.376 0.274 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnc3n[nH]nc3c1)O2 ZINC001053610926 766430759 /nfs/dbraw/zinc/43/07/59/766430759.db2.gz GCLDYZACYCVDAH-GFCCVEGCSA-N 1 2 328.376 0.502 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H]1CCC3(CN(CC#N)C3)O1)C2 ZINC001053618693 766447108 /nfs/dbraw/zinc/44/71/08/766447108.db2.gz CPPDJFGTSKCBFO-UONOGXRCSA-N 1 2 343.431 0.696 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CCC3(CN(CC#N)C3)O1)CC2 ZINC001053618693 766447112 /nfs/dbraw/zinc/44/71/12/766447112.db2.gz CPPDJFGTSKCBFO-UONOGXRCSA-N 1 2 343.431 0.696 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCn3ccnc3C1)O2 ZINC001053619167 766447697 /nfs/dbraw/zinc/44/76/97/766447697.db2.gz MOQZAXUKLLBDJK-LSDHHAIUSA-N 1 2 330.432 0.981 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccc3ncnn31)O2 ZINC001053627000 766471290 /nfs/dbraw/zinc/47/12/90/766471290.db2.gz KSUNLZTVSMHNTJ-ZDUSSCGKSA-N 1 2 327.388 0.879 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cn(C)ccc1=O)O2 ZINC001053630963 766478312 /nfs/dbraw/zinc/47/83/12/766478312.db2.gz OCWINSOJMFSROM-CQSZACIVSA-N 1 2 331.416 0.925 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)O2 ZINC001053663028 766536082 /nfs/dbraw/zinc/53/60/82/766536082.db2.gz DFKQCKINQQJUOF-ILXRZTDVSA-N 1 2 335.448 0.814 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccn(C)c1=O)O2 ZINC001053685886 766585092 /nfs/dbraw/zinc/58/50/92/766585092.db2.gz AYWHRBHJLTWIKX-AWEZNQCLSA-N 1 2 331.416 0.925 20 30 ECEDLO Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)C[C@H](C)n2cc[nH+]c2)n1 ZINC001106132080 766603940 /nfs/dbraw/zinc/60/39/40/766603940.db2.gz RUYABXVJXQFPFG-JSGCOSHPSA-N 1 2 343.391 0.394 20 30 ECEDLO C[C@@H](CC(=O)NC[C@H](O)CNc1nccnc1C#N)n1cc[nH+]c1 ZINC001106132309 766616237 /nfs/dbraw/zinc/61/62/37/766616237.db2.gz YATDCYBODHTBGX-RYUDHWBXSA-N 1 2 329.364 0.085 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)O2 ZINC001053707351 766634528 /nfs/dbraw/zinc/63/45/28/766634528.db2.gz GPQNSEKMCHFEBO-ZDUSSCGKSA-N 1 2 330.388 0.330 20 30 ECEDLO CCn1cc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)nn1 ZINC001046011404 766636084 /nfs/dbraw/zinc/63/60/84/766636084.db2.gz DERPFNHZAKFPEU-GOEBONIOSA-N 1 2 345.451 0.176 20 30 ECEDLO CCn1cc(C[N@H+]2CC[C@@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)nn1 ZINC001046011404 766636087 /nfs/dbraw/zinc/63/60/87/766636087.db2.gz DERPFNHZAKFPEU-GOEBONIOSA-N 1 2 345.451 0.176 20 30 ECEDLO CCn1ncnc1CN1CC[C@@H]([NH+]2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001046011921 766638448 /nfs/dbraw/zinc/63/84/48/766638448.db2.gz IRBUKYARUUJLOB-HUUCEWRRSA-N 1 2 345.451 0.176 20 30 ECEDLO CN1C[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)CC1=O ZINC001031712402 766704263 /nfs/dbraw/zinc/70/42/63/766704263.db2.gz YGRPJLQHJOUSDN-HNNXBMFYSA-N 1 2 344.390 0.724 20 30 ECEDLO Cn1nc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)cc1C1CC1 ZINC001046033988 766713374 /nfs/dbraw/zinc/71/33/74/766713374.db2.gz NCRIDVCZSLZGAR-OAHLLOKOSA-N 1 2 342.447 0.653 20 30 ECEDLO C=CCn1cc(C(=O)NC2CC(N(C)C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001016688807 766733678 /nfs/dbraw/zinc/73/36/78/766733678.db2.gz UKEABKXGLQHQGJ-UHFFFAOYSA-N 1 2 343.391 0.080 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@H]3Cc4ccccc4O3)CC2)C1 ZINC001046041406 766752524 /nfs/dbraw/zinc/75/25/24/766752524.db2.gz IIDJDDUQEHSLLT-FUHWJXTLSA-N 1 2 340.427 0.732 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)C1 ZINC001046043843 766763183 /nfs/dbraw/zinc/76/31/83/766763183.db2.gz FRAGUCVUJSVVCY-AWEZNQCLSA-N 1 2 344.419 0.021 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)CC2)C1 ZINC001046044074 766764350 /nfs/dbraw/zinc/76/43/50/766764350.db2.gz OHPAMXFSRKHRKC-OKZBNKHCSA-N 1 2 346.475 0.791 20 30 ECEDLO CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC001089645465 766801026 /nfs/dbraw/zinc/80/10/26/766801026.db2.gz USKNGWGEITXJDL-AWEZNQCLSA-N 1 2 326.462 0.661 20 30 ECEDLO CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC001089645465 766801035 /nfs/dbraw/zinc/80/10/35/766801035.db2.gz USKNGWGEITXJDL-AWEZNQCLSA-N 1 2 326.462 0.661 20 30 ECEDLO COc1ncccc1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046057874 766816764 /nfs/dbraw/zinc/81/67/64/766816764.db2.gz ZHZLUXYOPKJXCN-AWEZNQCLSA-N 1 2 329.404 0.446 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3ccc4nonc4c3)CC2)C1 ZINC001046058828 766820574 /nfs/dbraw/zinc/82/05/74/766820574.db2.gz TUYKKUDETSFKFI-AWEZNQCLSA-N 1 2 340.387 0.578 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3nccc4[nH]ccc43)CC2)C1 ZINC001046064514 766844459 /nfs/dbraw/zinc/84/44/59/766844459.db2.gz OTDXUEXQSLXUHV-CQSZACIVSA-N 1 2 338.415 0.919 20 30 ECEDLO Cn1cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@H]32)nn1 ZINC001042001464 782582464 /nfs/dbraw/zinc/58/24/64/782582464.db2.gz YQVIAPSFAYQVPP-CZUORRHYSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1cc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@H]32)nn1 ZINC001042001464 782582472 /nfs/dbraw/zinc/58/24/72/782582472.db2.gz YQVIAPSFAYQVPP-CZUORRHYSA-N 1 2 339.403 0.751 20 30 ECEDLO Cc1nn(C)cc1CCC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046069182 766867221 /nfs/dbraw/zinc/86/72/21/766867221.db2.gz CGXNDBVANAFPGD-QGZVFWFLSA-N 1 2 344.463 0.403 20 30 ECEDLO Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046072038 766879798 /nfs/dbraw/zinc/87/97/98/766879798.db2.gz PPIVWAKSJRVAHN-CJNGLKHVSA-N 1 2 344.463 0.872 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cncc3[nH]cnc31)CO2 ZINC001053812777 766907759 /nfs/dbraw/zinc/90/77/59/766907759.db2.gz HAGDDZSAPLQXDJ-GFCCVEGCSA-N 1 2 325.372 0.554 20 30 ECEDLO Cc1noc(C)c1CC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046081533 766919307 /nfs/dbraw/zinc/91/93/07/766919307.db2.gz HCXMGRISDFWDED-HNNXBMFYSA-N 1 2 331.420 0.576 20 30 ECEDLO CCOc1ncccc1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046083343 766922862 /nfs/dbraw/zinc/92/28/62/766922862.db2.gz QHRNEBWWLPZADF-OAHLLOKOSA-N 1 2 343.431 0.836 20 30 ECEDLO CC[C@H](C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1)N1CCCC1=O ZINC001046087103 766929905 /nfs/dbraw/zinc/92/99/05/766929905.db2.gz UDSIOKNWVQROAV-HZPDHXFCSA-N 1 2 347.463 0.129 20 30 ECEDLO N#Cc1ccc(F)cc1CN1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078270310 782594531 /nfs/dbraw/zinc/59/45/31/782594531.db2.gz OGZUYVXBQLHWIS-HZPDHXFCSA-N 1 2 343.362 0.255 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)NC1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000994845221 766956814 /nfs/dbraw/zinc/95/68/14/766956814.db2.gz NLXVQXFZLQKSBA-UHFFFAOYSA-N 1 2 339.355 0.473 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3cnc(C)s3)C[C@@H]2O)c1 ZINC001083765187 766995103 /nfs/dbraw/zinc/99/51/03/766995103.db2.gz RHWONYDWGTZRCL-CVEARBPZSA-N 1 2 342.424 0.803 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3cnc(C)s3)C[C@@H]2O)c1 ZINC001083765187 766995108 /nfs/dbraw/zinc/99/51/08/766995108.db2.gz RHWONYDWGTZRCL-CVEARBPZSA-N 1 2 342.424 0.803 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)c3cnns3)C2)C1=O ZINC001046164842 767000079 /nfs/dbraw/zinc/00/00/79/767000079.db2.gz JPXXOJYIHXJWPW-IAQYHMDHSA-N 1 2 335.433 0.519 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(NC(=O)c3cnns3)C2)C1=O ZINC001046164842 767000092 /nfs/dbraw/zinc/00/00/92/767000092.db2.gz JPXXOJYIHXJWPW-IAQYHMDHSA-N 1 2 335.433 0.519 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1nc(C)c(C)nc1C)CO2 ZINC001053863769 767065316 /nfs/dbraw/zinc/06/53/16/767065316.db2.gz QEADYZOBWZTHBZ-HNNXBMFYSA-N 1 2 328.416 0.998 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCN(C(C)=O)C1)CO2 ZINC001053864901 767068339 /nfs/dbraw/zinc/06/83/39/767068339.db2.gz MHWXILVHPOYBFJ-JKSUJKDBSA-N 1 2 335.448 0.781 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3nc(C)nn3C1)CO2 ZINC001053878810 767127027 /nfs/dbraw/zinc/12/70/27/767127027.db2.gz KDXJBDYEJYVMKM-CABCVRRESA-N 1 2 345.447 0.685 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2[C@@H]2CCC(=O)NC2=O)cc1 ZINC001038589715 767128795 /nfs/dbraw/zinc/12/87/95/767128795.db2.gz SDPXKXQWBLOPQE-LSDHHAIUSA-N 1 2 325.368 0.277 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2[C@@H]2CCC(=O)NC2=O)cc1 ZINC001038589715 767128797 /nfs/dbraw/zinc/12/87/97/767128797.db2.gz SDPXKXQWBLOPQE-LSDHHAIUSA-N 1 2 325.368 0.277 20 30 ECEDLO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001046306295 767138166 /nfs/dbraw/zinc/13/81/66/767138166.db2.gz FEIOSBHRZWDUNG-UHFFFAOYSA-N 1 2 332.404 0.306 20 30 ECEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@H]3CCCNC3=O)C2)c1 ZINC001031749053 767142411 /nfs/dbraw/zinc/14/24/11/767142411.db2.gz 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/nfs/dbraw/zinc/45/39/07/790453907.db2.gz IYPDFTVWKYUAKN-SJORKVTESA-N 1 2 337.383 0.597 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC(N(CC)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001079690937 776695340 /nfs/dbraw/zinc/69/53/40/776695340.db2.gz COGNCXGMIAWIDR-QGZVFWFLSA-N 1 2 334.420 0.729 20 30 ECEDLO N#Cc1cccnc1N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001044748322 776736813 /nfs/dbraw/zinc/73/68/13/776736813.db2.gz CAHWUEWOFQFZSK-GBOPCIDUSA-N 1 2 338.371 0.146 20 30 ECEDLO N#Cc1cccnc1N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001044748322 776736824 /nfs/dbraw/zinc/73/68/24/776736824.db2.gz CAHWUEWOFQFZSK-GBOPCIDUSA-N 1 2 338.371 0.146 20 30 ECEDLO C=CCCOCC(=O)N(CC)C1CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001079978436 777183042 /nfs/dbraw/zinc/18/30/42/777183042.db2.gz OJSIURYRIRXJBM-UHFFFAOYSA-N 1 2 334.420 0.615 20 30 ECEDLO CCN(C(=O)CCCn1cc[nH+]c1)C1CN(C(=O)CSCC#N)C1 ZINC001080026001 777255734 /nfs/dbraw/zinc/25/57/34/777255734.db2.gz WMNZARDYCYOJTP-UHFFFAOYSA-N 1 2 349.460 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/nfs/dbraw/zinc/66/37/33/778663733.db2.gz GYYVRBLKXAQYPP-HNNXBMFYSA-N 1 2 347.459 0.210 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C2(C(C)C)CC2)C1 ZINC001043648644 778663736 /nfs/dbraw/zinc/66/37/36/778663736.db2.gz GYYVRBLKXAQYPP-HNNXBMFYSA-N 1 2 347.459 0.210 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C(C)(C)C(C)C)C1 ZINC001043648705 778664489 /nfs/dbraw/zinc/66/44/89/778664489.db2.gz HVOVOFJQXIXSJB-HNNXBMFYSA-N 1 2 349.475 0.456 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C(C)(C)C(C)C)C1 ZINC001043648705 778664491 /nfs/dbraw/zinc/66/44/91/778664491.db2.gz HVOVOFJQXIXSJB-HNNXBMFYSA-N 1 2 349.475 0.456 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CC2CCCC2)C1 ZINC001043650951 778669032 /nfs/dbraw/zinc/66/90/32/778669032.db2.gz WTBKUCHZMSCQQW-INIZCTEOSA-N 1 2 347.459 0.354 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CC2CCCC2)C1 ZINC001043650951 778669035 /nfs/dbraw/zinc/66/90/35/778669035.db2.gz WTBKUCHZMSCQQW-INIZCTEOSA-N 1 2 347.459 0.354 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C2(CC)CCC2)C1 ZINC001043651899 778670427 /nfs/dbraw/zinc/67/04/27/778670427.db2.gz OZSMEGIKRBAFFU-HNNXBMFYSA-N 1 2 347.459 0.354 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C2(CC)CCC2)C1 ZINC001043651899 778670432 /nfs/dbraw/zinc/67/04/32/778670432.db2.gz OZSMEGIKRBAFFU-HNNXBMFYSA-N 1 2 347.459 0.354 20 30 ECEDLO C=C(C)CCC(=O)N1CC(O)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001043670615 778693686 /nfs/dbraw/zinc/69/36/86/778693686.db2.gz OFDDHRCEQCTZPZ-UHFFFAOYSA-N 1 2 348.447 0.972 20 30 ECEDLO CCc1cc(N2C[C@H]3OCCN(C(=O)[C@H](C)C#N)[C@H]3C2)nc(C)[nH+]1 ZINC001043679897 778711124 /nfs/dbraw/zinc/71/11/24/778711124.db2.gz FPVCENDBIXFCAR-BYCMXARLSA-N 1 2 329.404 0.923 20 30 ECEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+](CCCN3C(=O)CNC3=O)C2)C1 ZINC001043811226 778899247 /nfs/dbraw/zinc/89/92/47/778899247.db2.gz ODDYADQNFXKEMR-UHFFFAOYSA-N 1 2 334.420 0.427 20 30 ECEDLO N#Cc1nccc(NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC001068613721 790712249 /nfs/dbraw/zinc/71/22/49/790712249.db2.gz HNZYIOXSBGXVCU-FDYHWXHSSA-N 1 2 337.387 0.604 20 30 ECEDLO N#Cc1nccc(NC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)n1 ZINC001068613721 790712259 /nfs/dbraw/zinc/71/22/59/790712259.db2.gz HNZYIOXSBGXVCU-FDYHWXHSSA-N 1 2 337.387 0.604 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001078533614 780095941 /nfs/dbraw/zinc/09/59/41/780095941.db2.gz QMHDQRFZSODOHN-MJBXVCDLSA-N 1 2 334.420 0.944 20 30 ECEDLO Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2n2ccnn2)no1 ZINC001070159633 790786765 /nfs/dbraw/zinc/78/67/65/790786765.db2.gz LMYGDBWDEFPGAB-GDLCADMTSA-N 1 2 329.364 0.276 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1C[NH+](C[C@H]2CCc3ncnn32)C1 ZINC001042590049 780493259 /nfs/dbraw/zinc/49/32/59/780493259.db2.gz RZOQSFPLUPUHAU-GFCCVEGCSA-N 1 2 325.376 0.422 20 30 ECEDLO C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001042632604 780562385 /nfs/dbraw/zinc/56/23/85/780562385.db2.gz RMNMEUATJGDOLV-BPGGGUHBSA-N 1 2 337.387 0.816 20 30 ECEDLO C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001042632604 780562394 /nfs/dbraw/zinc/56/23/94/780562394.db2.gz RMNMEUATJGDOLV-BPGGGUHBSA-N 1 2 337.387 0.816 20 30 ECEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCO2)C1 ZINC001079124486 780782928 /nfs/dbraw/zinc/78/29/28/780782928.db2.gz WLECOJVCKVKOHD-KZNAEPCWSA-N 1 2 328.412 0.873 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCO2)C1 ZINC001079124486 780782935 /nfs/dbraw/zinc/78/29/35/780782935.db2.gz WLECOJVCKVKOHD-KZNAEPCWSA-N 1 2 328.412 0.873 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001042826502 780897179 /nfs/dbraw/zinc/89/71/79/780897179.db2.gz JUWKESYTGUHWBE-UHFFFAOYSA-N 1 2 334.420 0.634 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ncc(F)cn2)C[C@H]1OC ZINC001043019392 781192548 /nfs/dbraw/zinc/19/25/48/781192548.db2.gz YOFPXRWHZVKMSV-QLFBSQMISA-N 1 2 347.394 0.033 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ncc(F)cn2)C[C@H]1OC ZINC001043019392 781192551 /nfs/dbraw/zinc/19/25/51/781192551.db2.gz YOFPXRWHZVKMSV-QLFBSQMISA-N 1 2 347.394 0.033 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@H]2O)c1 ZINC001077648577 781423145 /nfs/dbraw/zinc/42/31/45/781423145.db2.gz MONHOSMNZBWPIC-CHWSQXEVSA-N 1 2 327.306 0.790 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](CCC(F)(F)F)C[C@H]2O)c1 ZINC001077648577 781423153 /nfs/dbraw/zinc/42/31/53/781423153.db2.gz MONHOSMNZBWPIC-CHWSQXEVSA-N 1 2 327.306 0.790 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC001041483061 781606711 /nfs/dbraw/zinc/60/67/11/781606711.db2.gz PNHKYVZLLWIJBR-RYUDHWBXSA-N 1 2 343.391 0.552 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040696690 783287471 /nfs/dbraw/zinc/28/74/71/783287471.db2.gz MLNYFZJKYWWABC-CXAGYDPISA-N 1 2 334.420 0.634 20 30 ECEDLO C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001040047727 783437461 /nfs/dbraw/zinc/43/74/61/783437461.db2.gz NVWAWUIJDCPFBB-LBTNJELSSA-N 1 2 346.431 0.949 20 30 ECEDLO C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001040047727 783437465 /nfs/dbraw/zinc/43/74/65/783437465.db2.gz NVWAWUIJDCPFBB-LBTNJELSSA-N 1 2 346.431 0.949 20 30 ECEDLO C=CCCC1(C(=O)NC[C@]2(O)CCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001040813161 783489088 /nfs/dbraw/zinc/48/90/88/783489088.db2.gz NVSVUHPZWYZCRD-GOSISDBHSA-N 1 2 346.431 0.778 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2CCNC(=O)C2)cc1F ZINC001038161604 783934127 /nfs/dbraw/zinc/93/41/27/783934127.db2.gz PSTUVJKPHUXTPV-HIFRSBDPSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2CCNC(=O)C2)cc1F ZINC001038161604 783934137 /nfs/dbraw/zinc/93/41/37/783934137.db2.gz PSTUVJKPHUXTPV-HIFRSBDPSA-N 1 2 344.390 0.914 20 30 ECEDLO Cn1oc(C(=O)NC[C@H]2CC[N@@H+]2CC#Cc2ccccc2)cc1=O ZINC001038197315 783983641 /nfs/dbraw/zinc/98/36/41/783983641.db2.gz GFGCWVHQYMWPJY-OAHLLOKOSA-N 1 2 325.368 0.834 20 30 ECEDLO Cn1oc(C(=O)NC[C@H]2CC[N@H+]2CC#Cc2ccccc2)cc1=O ZINC001038197315 783983648 /nfs/dbraw/zinc/98/36/48/783983648.db2.gz GFGCWVHQYMWPJY-OAHLLOKOSA-N 1 2 325.368 0.834 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cn[nH]n2)C1 ZINC001070416376 784018756 /nfs/dbraw/zinc/01/87/56/784018756.db2.gz KWXRZPNEAFLUSI-JTQLQIEISA-N 1 2 335.799 1.000 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)c2cn[nH]n2)C1 ZINC001070416376 784018763 /nfs/dbraw/zinc/01/87/63/784018763.db2.gz KWXRZPNEAFLUSI-JTQLQIEISA-N 1 2 335.799 1.000 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1cnn(C)c1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070441347 784081153 /nfs/dbraw/zinc/08/11/53/784081153.db2.gz STPSPAPPTBMJNY-CQSZACIVSA-N 1 2 339.403 0.021 20 30 ECEDLO CC#CC[NH+]1CC2(C1)CN(C(=O)c1ccon1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442685 784086777 /nfs/dbraw/zinc/08/67/77/784086777.db2.gz MPLYBVAPJOFGOB-CYBMUJFWSA-N 1 2 340.387 0.666 20 30 ECEDLO C=CC[NH+]1CC2(C1)CN(C(=O)Cc1cc[nH]n1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070444949 784095127 /nfs/dbraw/zinc/09/51/27/784095127.db2.gz YGPMMYKMPWHLRF-CQSZACIVSA-N 1 2 341.419 0.493 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2coc(C)n2)C1 ZINC001070911664 784101775 /nfs/dbraw/zinc/10/17/75/784101775.db2.gz HSHVBAZCIGZYJM-YUELXQCFSA-N 1 2 346.387 0.889 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2coc(C)n2)C1 ZINC001070911664 784101779 /nfs/dbraw/zinc/10/17/79/784101779.db2.gz HSHVBAZCIGZYJM-YUELXQCFSA-N 1 2 346.387 0.889 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001070913205 784103705 /nfs/dbraw/zinc/10/37/05/784103705.db2.gz FJMQXSDIUCANTC-BBWFWOEESA-N 1 2 341.411 0.529 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001070913205 784103711 /nfs/dbraw/zinc/10/37/11/784103711.db2.gz FJMQXSDIUCANTC-BBWFWOEESA-N 1 2 341.411 0.529 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1conc1C)C[C@H]2c1nnc(C)[nH]1 ZINC001070449937 784108392 /nfs/dbraw/zinc/10/83/92/784108392.db2.gz YTDBUMAANXVAJN-AWEZNQCLSA-N 1 2 340.387 0.584 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC[C@@H](C)O1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070450685 784110761 /nfs/dbraw/zinc/11/07/61/784110761.db2.gz NRHQNJKDHGTDQS-BPLDGKMQSA-N 1 2 343.431 0.542 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1ncccn1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070451025 784111648 /nfs/dbraw/zinc/11/16/48/784111648.db2.gz SGAMZXOFTQRTMN-CYBMUJFWSA-N 1 2 337.387 0.078 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)Cc2ccc[nH]2)C1 ZINC001070923756 784123218 /nfs/dbraw/zinc/12/32/18/784123218.db2.gz BNJXVNFIBWBQKJ-XHSDSOJGSA-N 1 2 344.415 0.849 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)Cc2ccc[nH]2)C1 ZINC001070923756 784123222 /nfs/dbraw/zinc/12/32/22/784123222.db2.gz BNJXVNFIBWBQKJ-XHSDSOJGSA-N 1 2 344.415 0.849 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001070553285 784264420 /nfs/dbraw/zinc/26/44/20/784264420.db2.gz IBLGAPHJBIGKJC-LSDHHAIUSA-N 1 2 346.431 0.755 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2cnc[nH]c2=O)CC1 ZINC001070972615 784278710 /nfs/dbraw/zinc/27/87/10/784278710.db2.gz BRSPXPDAVNLDML-UHFFFAOYSA-N 1 2 333.392 0.022 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2cnc[nH]c2=O)CC1 ZINC001070972615 784278726 /nfs/dbraw/zinc/27/87/26/784278726.db2.gz BRSPXPDAVNLDML-UHFFFAOYSA-N 1 2 333.392 0.022 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)CC1 ZINC001070980034 784305796 /nfs/dbraw/zinc/30/57/96/784305796.db2.gz LVSOVYNTBLGFQN-DLBZAZTESA-N 1 2 349.475 0.886 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)CC1 ZINC001070980034 784305805 /nfs/dbraw/zinc/30/58/05/784305805.db2.gz LVSOVYNTBLGFQN-DLBZAZTESA-N 1 2 349.475 0.886 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccc(C#C)nc2)CC1 ZINC001071016251 784425163 /nfs/dbraw/zinc/42/51/63/784425163.db2.gz FBDQEKOLPLDGDR-UHFFFAOYSA-N 1 2 338.411 0.350 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccc(C#C)nc2)CC1 ZINC001071016251 784425173 /nfs/dbraw/zinc/42/51/73/784425173.db2.gz FBDQEKOLPLDGDR-UHFFFAOYSA-N 1 2 338.411 0.350 20 30 ECEDLO C=CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001071033807 784464039 /nfs/dbraw/zinc/46/40/39/784464039.db2.gz VAQBDAGLFZDKEO-HUUCEWRRSA-N 1 2 334.420 0.972 20 30 ECEDLO C[C@@H](C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1)n1cccc1 ZINC001070640101 784476370 /nfs/dbraw/zinc/47/63/70/784476370.db2.gz PXMHLUMQWFOYHQ-RRFJBIMHSA-N 1 2 326.404 0.890 20 30 ECEDLO C[C@@H](C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1)c1ccnn1C ZINC001070649004 784495121 /nfs/dbraw/zinc/49/51/21/784495121.db2.gz JAHJAODFNVKIQG-MGPQQGTHSA-N 1 2 341.419 0.365 20 30 ECEDLO Cn1ccc(CCC(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)n1 ZINC001070653162 784501853 /nfs/dbraw/zinc/50/18/53/784501853.db2.gz BDQIIOHTGRVIPP-HUUCEWRRSA-N 1 2 341.419 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ZINC001071134635 784579758 /nfs/dbraw/zinc/57/97/58/784579758.db2.gz VJULEGZVJIOZTQ-GXTWGEPZSA-N 1 2 340.815 0.117 20 30 ECEDLO CCn1cnc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)c1 ZINC001070711034 784580932 /nfs/dbraw/zinc/58/09/32/784580932.db2.gz VVWZLVQXJOFGAA-CHWSQXEVSA-N 1 2 327.392 0.358 20 30 ECEDLO CCc1cc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)nn1C ZINC001070723659 784597626 /nfs/dbraw/zinc/59/76/26/784597626.db2.gz JCGDJJMMOXFBMC-UKRRQHHQSA-N 1 2 341.419 0.437 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001070799192 784696666 /nfs/dbraw/zinc/69/66/66/784696666.db2.gz PSCRMEUETQPMHU-ZIAGYGMSSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001070799192 784696674 /nfs/dbraw/zinc/69/66/74/784696674.db2.gz PSCRMEUETQPMHU-ZIAGYGMSSA-N 1 2 334.420 0.898 20 30 ECEDLO C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@]2(CCN(CC#N)C2)O1 ZINC001071226090 784784244 /nfs/dbraw/zinc/78/42/44/784784244.db2.gz 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ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cn(C(C)C)nn3)C[C@H]21 ZINC001074370474 786779278 /nfs/dbraw/zinc/77/92/78/786779278.db2.gz AUBVRZPQAKMQLH-CVEARBPZSA-N 1 2 331.420 0.798 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(CC)n(C)n3)C[C@H]21 ZINC001074419604 786929421 /nfs/dbraw/zinc/92/94/21/786929421.db2.gz OIPIGKNLJZQKKH-SJORKVTESA-N 1 2 330.432 0.921 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(CC)n(C)n3)C[C@H]21 ZINC001074419604 786929426 /nfs/dbraw/zinc/92/94/26/786929426.db2.gz OIPIGKNLJZQKKH-SJORKVTESA-N 1 2 330.432 0.921 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001073714524 787036001 /nfs/dbraw/zinc/03/60/01/787036001.db2.gz SWNCPIWVXZPJNS-KGLIPLIRSA-N 1 2 343.855 0.862 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001073714524 787036010 /nfs/dbraw/zinc/03/60/10/787036010.db2.gz SWNCPIWVXZPJNS-KGLIPLIRSA-N 1 2 343.855 0.862 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001073732298 787079190 /nfs/dbraw/zinc/07/91/90/787079190.db2.gz LLMXNDQJDQZAKP-OLZOCXBDSA-N 1 2 329.828 0.567 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001073732298 787079204 /nfs/dbraw/zinc/07/92/04/787079204.db2.gz LLMXNDQJDQZAKP-OLZOCXBDSA-N 1 2 329.828 0.567 20 30 ECEDLO C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001073795325 787216054 /nfs/dbraw/zinc/21/60/54/787216054.db2.gz AOJYUWXCCOOJHM-OAHLLOKOSA-N 1 2 344.477 0.594 20 30 ECEDLO C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001073795325 787216058 /nfs/dbraw/zinc/21/60/58/787216058.db2.gz AOJYUWXCCOOJHM-OAHLLOKOSA-N 1 2 344.477 0.594 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001073819717 787262991 /nfs/dbraw/zinc/26/29/91/787262991.db2.gz IENWPXSUXXBQSW-HUUCEWRRSA-N 1 2 334.420 0.829 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC001073863500 787394939 /nfs/dbraw/zinc/39/49/39/787394939.db2.gz SIHWIXLKYHZYEX-CABCVRRESA-N 1 2 343.855 0.957 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC001073863500 787394950 /nfs/dbraw/zinc/39/49/50/787394950.db2.gz SIHWIXLKYHZYEX-CABCVRRESA-N 1 2 343.855 0.957 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1NC(=O)C#CC1CC1 ZINC001073949911 787569548 /nfs/dbraw/zinc/56/95/48/787569548.db2.gz XOUZIFYKWJTNTP-CZUORRHYSA-N 1 2 328.416 0.729 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)CC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001074024753 787708320 /nfs/dbraw/zinc/70/83/20/787708320.db2.gz IQHWWUPNCAWHIA-OCCSQVGLSA-N 1 2 349.460 0.952 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)CC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001074024753 787708328 /nfs/dbraw/zinc/70/83/28/787708328.db2.gz IQHWWUPNCAWHIA-OCCSQVGLSA-N 1 2 349.460 0.952 20 30 ECEDLO C=CCCOCC(=O)N[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001074029106 787722738 /nfs/dbraw/zinc/72/27/38/787722738.db2.gz AJJRVJRJRVZLPH-KBPBESRZSA-N 1 2 334.420 0.898 20 30 ECEDLO C[C@H](c1nnnn1C)[N@@H+]1CCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001072595225 788391485 /nfs/dbraw/zinc/39/14/85/788391485.db2.gz IHJSZGUEHZVEKZ-LLVKDONJSA-N 1 2 340.391 0.319 20 30 ECEDLO C[C@H](c1nnnn1C)[N@H+]1CCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001072595225 788391495 /nfs/dbraw/zinc/39/14/95/788391495.db2.gz IHJSZGUEHZVEKZ-LLVKDONJSA-N 1 2 340.391 0.319 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001074891573 788498809 /nfs/dbraw/zinc/49/88/09/788498809.db2.gz IRGAVKSKIKITFX-CABCVRRESA-N 1 2 334.420 0.972 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001075128137 788945639 /nfs/dbraw/zinc/94/56/39/788945639.db2.gz VLPAQZLKTIPZEC-KGLIPLIRSA-N 1 2 332.404 0.488 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CCC(C)(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001072985194 789223687 /nfs/dbraw/zinc/22/36/87/789223687.db2.gz FEJFCBAZMSIDDH-GOSISDBHSA-N 1 2 348.447 0.787 20 30 ECEDLO C#CCOCCC(=O)NC1(C)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001073177529 789572463 /nfs/dbraw/zinc/57/24/63/789572463.db2.gz YCEIWVZSHQYURV-UHFFFAOYSA-N 1 2 346.431 0.798 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC001073347398 789749219 /nfs/dbraw/zinc/74/92/19/789749219.db2.gz PDAPLKWUGFTMEK-OAHLLOKOSA-N 1 2 348.447 0.909 20 30 ECEDLO C#CCOCCC(=O)N1CCC(CC)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001069374883 789782758 /nfs/dbraw/zinc/78/27/58/789782758.db2.gz WWZAVBAALXDZCI-UHFFFAOYSA-N 1 2 346.431 0.810 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC001073473349 789876951 /nfs/dbraw/zinc/87/69/51/789876951.db2.gz YTBMEJPVOQZUJM-KGLIPLIRSA-N 1 2 346.431 0.734 20 30 ECEDLO C[C@@H](C#N)C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC001073484686 789888869 /nfs/dbraw/zinc/88/88/69/789888869.db2.gz KCKUMXKLZVBOLW-JSGCOSHPSA-N 1 2 331.420 0.866 20 30 ECEDLO CC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1n1ccnn1 ZINC001069884719 790151972 /nfs/dbraw/zinc/15/19/72/790151972.db2.gz YBJUKTOLFLPYCO-CVEARBPZSA-N 1 2 328.351 0.850 20 30 ECEDLO CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1n1ccnn1 ZINC001069884719 790151978 /nfs/dbraw/zinc/15/19/78/790151978.db2.gz YBJUKTOLFLPYCO-CVEARBPZSA-N 1 2 328.351 0.850 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2n[nH]c(C)c2C)[C@@H](n2ccnn2)C1 ZINC001069904985 790173982 /nfs/dbraw/zinc/17/39/82/790173982.db2.gz YSIAAGCGTSVUQT-KGLIPLIRSA-N 1 2 327.392 0.297 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2n[nH]c(C)c2C)[C@@H](n2ccnn2)C1 ZINC001069904985 790173985 /nfs/dbraw/zinc/17/39/85/790173985.db2.gz YSIAAGCGTSVUQT-KGLIPLIRSA-N 1 2 327.392 0.297 20 30 ECEDLO CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](n2ccnn2)C1 ZINC001069911721 790180814 /nfs/dbraw/zinc/18/08/14/790180814.db2.gz LQUUKNNVKLBQPH-CFVMTHIKSA-N 1 2 345.382 0.881 20 30 ECEDLO CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](n2ccnn2)C1 ZINC001069911721 790180815 /nfs/dbraw/zinc/18/08/15/790180815.db2.gz LQUUKNNVKLBQPH-CFVMTHIKSA-N 1 2 345.382 0.881 20 30 ECEDLO C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(OC)ns2)[C@@H](n2ccnn2)C1 ZINC001069929758 790202175 /nfs/dbraw/zinc/20/21/75/790202175.db2.gz PCDSUZJQNJYBRX-NEPJUHHUSA-N 1 2 346.416 0.422 20 30 ECEDLO C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(OC)ns2)[C@@H](n2ccnn2)C1 ZINC001069929758 790202180 /nfs/dbraw/zinc/20/21/80/790202180.db2.gz PCDSUZJQNJYBRX-NEPJUHHUSA-N 1 2 346.416 0.422 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccnn2[C@@H](C)CC)[C@@H](n2ccnn2)C1 ZINC001069939899 790214700 /nfs/dbraw/zinc/21/47/00/790214700.db2.gz ITUUPVZIBOZGSA-LZWOXQAQSA-N 1 2 341.419 0.734 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccnn2[C@@H](C)CC)[C@@H](n2ccnn2)C1 ZINC001069939899 790214706 /nfs/dbraw/zinc/21/47/06/790214706.db2.gz ITUUPVZIBOZGSA-LZWOXQAQSA-N 1 2 341.419 0.734 20 30 ECEDLO C#CCCCCC(=O)N[C@H]1COC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001068821907 791198830 /nfs/dbraw/zinc/19/88/30/791198830.db2.gz RSJXUVDVBFPDKC-OAHLLOKOSA-N 1 2 344.415 0.563 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N[C@H]1COC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001068943423 791475971 /nfs/dbraw/zinc/47/59/71/791475971.db2.gz IXFJOAXRTGMZRU-CQSZACIVSA-N 1 2 346.431 0.972 20 30 ECEDLO C=CCCCC(=O)N[C@@H]1COC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001068995397 791564520 /nfs/dbraw/zinc/56/45/20/791564520.db2.gz ZNDKOFIWBQEEKZ-AWEZNQCLSA-N 1 2 346.431 0.805 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1COC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001069015005 791597772 /nfs/dbraw/zinc/59/77/72/791597772.db2.gz NSNOYIKUXQUCAH-WMLDXEAASA-N 1 2 346.431 0.972 20 30 ECEDLO N#Cc1cncc(N2CC[NH+]([C@H]3CCN(C(=O)C4CC4)C3)CC2)n1 ZINC001066693553 792006745 /nfs/dbraw/zinc/00/67/45/792006745.db2.gz BKFXRMGEDGHBKO-HNNXBMFYSA-N 1 2 326.404 0.481 20 30 ECEDLO CCC(=O)N1CC[C@H]([NH+]2CCN(c3nc(C)cc(C#N)n3)CC2)C1 ZINC001066694165 792007633 /nfs/dbraw/zinc/00/76/33/792007633.db2.gz VBNTUMUSVKMVER-HNNXBMFYSA-N 1 2 328.420 0.790 20 30 ECEDLO Cc1nccc(N2CC[NH+]([C@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)n1 ZINC001066699136 792022148 /nfs/dbraw/zinc/02/21/48/792022148.db2.gz SADNLZOQBPBYJG-HIFRSBDPSA-N 1 2 328.420 0.668 20 30 ECEDLO COCC(=O)N1CC[C@@H]([NH+]2CCN(c3ncc(C#N)cc3F)CC2)C1 ZINC001066699146 792022352 /nfs/dbraw/zinc/02/23/52/792022352.db2.gz SGGKGDZTUQKLKK-CQSZACIVSA-N 1 2 347.394 0.462 20 30 ECEDLO N#Cc1ccc(N2CCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)nn1 ZINC001066793832 792174499 /nfs/dbraw/zinc/17/44/99/792174499.db2.gz MUEBEUCBWYXFFD-LBPRGKRZSA-N 1 2 325.376 0.789 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1)c1ncccc1C#N ZINC001067748915 792221456 /nfs/dbraw/zinc/22/14/56/792221456.db2.gz HWWMWPINPXDXRH-JKSUJKDBSA-N 1 2 343.431 0.711 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1)c1ncccc1C#N ZINC001067748915 792221462 /nfs/dbraw/zinc/22/14/62/792221462.db2.gz HWWMWPINPXDXRH-JKSUJKDBSA-N 1 2 343.431 0.711 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1)c1cnc(C#N)cn1 ZINC001067802168 792307866 /nfs/dbraw/zinc/30/78/66/792307866.db2.gz BSXLQNDZDJXBRM-CQSZACIVSA-N 1 2 325.376 0.741 20 30 ECEDLO N#Cc1cnccc1N[C@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001066910545 792360299 /nfs/dbraw/zinc/36/02/99/792360299.db2.gz PVHRZCSRXOFWDH-QGZVFWFLSA-N 1 2 340.387 0.106 20 30 ECEDLO N#Cc1cccnc1N[C@@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001066910425 792360933 /nfs/dbraw/zinc/36/09/33/792360933.db2.gz OSNPRUYEDAOIAA-KRWDZBQOSA-N 1 2 340.387 0.684 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC1CC(CNc2ccc(C#N)nn2)C1 ZINC001067860209 792386326 /nfs/dbraw/zinc/38/63/26/792386326.db2.gz RLFANHKDHCZICU-UHFFFAOYSA-N 1 2 325.376 0.929 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)CC[C@H]1C ZINC001067962833 792512685 /nfs/dbraw/zinc/51/26/85/792512685.db2.gz GCAUCCROOABNFO-IAQYHMDHSA-N 1 2 339.403 0.954 20 30 ECEDLO C[C@@H]1CCN(c2ccc(C#N)nn2)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067993064 792554019 /nfs/dbraw/zinc/55/40/19/792554019.db2.gz HLVBUSUXRUVOFE-BXUZGUMPSA-N 1 2 325.376 0.645 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](Nc2ccc(C#N)nn2)[C@@H](C)C1 ZINC001067126137 792726167 /nfs/dbraw/zinc/72/61/67/792726167.db2.gz AEJWIMMODOOJCF-HZMBPMFUSA-N 1 2 325.376 0.881 20 30 ECEDLO CN(CCCN(C)C(=O)c1c[nH]c(C#N)c1)C(=O)Cn1cc[nH+]c1 ZINC001067240132 792869828 /nfs/dbraw/zinc/86/98/28/792869828.db2.gz WJLNSYCAARGTMO-UHFFFAOYSA-N 1 2 328.376 0.704 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067405233 793108961 /nfs/dbraw/zinc/10/89/61/793108961.db2.gz FLKXBPILPLHGOZ-OCCSQVGLSA-N 1 2 339.403 0.655 20 30 ECEDLO C[C@H]1CN(c2cncc(C#N)n2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067407295 793111644 /nfs/dbraw/zinc/11/16/44/793111644.db2.gz DXPOSVMAPKNWAI-WCQYABFASA-N 1 2 325.376 0.645 20 30 ECEDLO C#CCOCCC(=O)N(C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001067427512 793140720 /nfs/dbraw/zinc/14/07/20/793140720.db2.gz JPNFKPAJZHCDSS-HNNXBMFYSA-N 1 2 348.447 0.935 20 30 ECEDLO C#CCOCCC(=O)N(C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001067427512 793140727 /nfs/dbraw/zinc/14/07/27/793140727.db2.gz JPNFKPAJZHCDSS-HNNXBMFYSA-N 1 2 348.447 0.935 20 30 ECEDLO C[C@H]1C[C@H](CNc2ccnc(C#N)n2)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001068380943 793158895 /nfs/dbraw/zinc/15/88/95/793158895.db2.gz NDAXKWUNARLCPV-QWHCGFSZSA-N 1 2 339.403 0.775 20 30 ECEDLO C[C@H]1C[C@H](CNc2ccnc(C#N)n2)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001068380943 793158899 /nfs/dbraw/zinc/15/88/99/793158899.db2.gz NDAXKWUNARLCPV-QWHCGFSZSA-N 1 2 339.403 0.775 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)CNC(=O)NC)C1 ZINC001419169584 837480051 /nfs/dbraw/zinc/48/00/51/837480051.db2.gz VBFFLGLONCXHDU-NSHDSACASA-N 1 2 347.257 0.747 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)CNC(=O)NC)C1 ZINC001419169584 837480058 /nfs/dbraw/zinc/48/00/58/837480058.db2.gz VBFFLGLONCXHDU-NSHDSACASA-N 1 2 347.257 0.747 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(CCC)C(=O)c2csnn2)C1 ZINC001267475044 837503549 /nfs/dbraw/zinc/50/35/49/837503549.db2.gz MHSHGTBHRLRSOZ-STQMWFEESA-N 1 2 349.460 0.603 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(CCC)C(=O)c2csnn2)C1 ZINC001267475044 837503556 /nfs/dbraw/zinc/50/35/56/837503556.db2.gz MHSHGTBHRLRSOZ-STQMWFEESA-N 1 2 349.460 0.603 20 30 ECEDLO C=CCn1cc(C(=O)N(CCC)[C@@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001267482602 837540102 /nfs/dbraw/zinc/54/01/02/837540102.db2.gz UIAFUXCTMXWMEQ-QWHCGFSZSA-N 1 2 334.424 0.264 20 30 ECEDLO C=CCn1cc(C(=O)N(CCC)[C@@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001267482602 837540091 /nfs/dbraw/zinc/54/00/91/837540091.db2.gz UIAFUXCTMXWMEQ-QWHCGFSZSA-N 1 2 334.424 0.264 20 30 ECEDLO CCCN(C(=O)CCc1cn[nH]n1)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001267546938 837739797 /nfs/dbraw/zinc/73/97/97/837739797.db2.gz FXFNCZQBEFUFTC-INIZCTEOSA-N 1 2 333.436 0.700 20 30 ECEDLO CCCN(C(=O)CCc1cn[nH]n1)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267546938 837739805 /nfs/dbraw/zinc/73/98/05/837739805.db2.gz FXFNCZQBEFUFTC-INIZCTEOSA-N 1 2 333.436 0.700 20 30 ECEDLO CCCN(C(=O)CCc1c[nH]nn1)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001267546938 837739812 /nfs/dbraw/zinc/73/98/12/837739812.db2.gz FXFNCZQBEFUFTC-INIZCTEOSA-N 1 2 333.436 0.700 20 30 ECEDLO CCCN(C(=O)CCc1c[nH]nn1)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267546938 837739818 /nfs/dbraw/zinc/73/98/18/837739818.db2.gz FXFNCZQBEFUFTC-INIZCTEOSA-N 1 2 333.436 0.700 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N(C)CC[NH+]1CCN(Cc2cnn(C)n2)CC1 ZINC001267574363 837820400 /nfs/dbraw/zinc/82/04/00/837820400.db2.gz DSCSJFWVEVNKJJ-UHFFFAOYSA-N 1 2 348.495 0.993 20 30 ECEDLO CC#CCN1CC[NH+](CCNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)CC1 ZINC001266285828 835621413 /nfs/dbraw/zinc/62/14/13/835621413.db2.gz OOYMLXQNLLPPAQ-KRWDZBQOSA-N 1 2 348.491 0.248 20 30 ECEDLO CC#CCN1CC[NH+](CCNC(=O)C[C@@H]2CCOC[C@H]2OC)CC1 ZINC001266285949 835621922 /nfs/dbraw/zinc/62/19/22/835621922.db2.gz SSNDLMFWFRQIRE-DLBZAZTESA-N 1 2 337.464 0.185 20 30 ECEDLO CC#CCN1CC[NH+](CCNC(=O)c2cncc3[nH]ccc32)CC1 ZINC001266287926 835630180 /nfs/dbraw/zinc/63/01/80/835630180.db2.gz KZMPCRQSVQIXJJ-UHFFFAOYSA-N 1 2 325.416 0.934 20 30 ECEDLO Cc1ccc(C(=O)NCC[N@H+](C)CC(=O)NCC#N)c(C(C)C)n1 ZINC001266304115 835667247 /nfs/dbraw/zinc/66/72/47/835667247.db2.gz INZBFPDFJFIAOG-UHFFFAOYSA-N 1 2 331.420 0.815 20 30 ECEDLO Cc1ccc(C(=O)NCC[N@@H+](C)CC(=O)NCC#N)c(C(C)C)n1 ZINC001266304115 835667252 /nfs/dbraw/zinc/66/72/52/835667252.db2.gz INZBFPDFJFIAOG-UHFFFAOYSA-N 1 2 331.420 0.815 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)CC(F)(F)F)C1 ZINC001266305389 835668786 /nfs/dbraw/zinc/66/87/86/835668786.db2.gz OUXLRUIDSSOTMM-VIFPVBQESA-N 1 2 336.314 0.141 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CC(F)(F)F)C1 ZINC001266305389 835668791 /nfs/dbraw/zinc/66/87/91/835668791.db2.gz OUXLRUIDSSOTMM-VIFPVBQESA-N 1 2 336.314 0.141 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(=O)NCCC)C1 ZINC001266313973 835680992 /nfs/dbraw/zinc/68/09/92/835680992.db2.gz DUOVGMGFTIYOIZ-CQSZACIVSA-N 1 2 336.436 0.606 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(=O)NCCC)C1 ZINC001266313973 835680999 /nfs/dbraw/zinc/68/09/99/835680999.db2.gz DUOVGMGFTIYOIZ-CQSZACIVSA-N 1 2 336.436 0.606 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccc(C(C)C)n2)C1 ZINC001266327991 835709425 /nfs/dbraw/zinc/70/94/25/835709425.db2.gz QDFAXLMDTRIENJ-CQSZACIVSA-N 1 2 328.416 0.759 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C(C)C)n2)C1 ZINC001266327991 835709427 /nfs/dbraw/zinc/70/94/27/835709427.db2.gz QDFAXLMDTRIENJ-CQSZACIVSA-N 1 2 328.416 0.759 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)Cc1noc2ccc(F)cc12 ZINC001266337845 835722012 /nfs/dbraw/zinc/72/20/12/835722012.db2.gz ROAROPNRYPAPHK-UHFFFAOYSA-N 1 2 348.378 0.860 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)Cc1noc2ccc(F)cc12 ZINC001266337845 835722015 /nfs/dbraw/zinc/72/20/15/835722015.db2.gz ROAROPNRYPAPHK-UHFFFAOYSA-N 1 2 348.378 0.860 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccc(OC)c2F)C1 ZINC001266347425 835738521 /nfs/dbraw/zinc/73/85/21/835738521.db2.gz OJSZRPUUSRZENU-GFCCVEGCSA-N 1 2 335.379 0.941 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(OC)c2F)C1 ZINC001266347425 835738533 /nfs/dbraw/zinc/73/85/33/835738533.db2.gz OJSZRPUUSRZENU-GFCCVEGCSA-N 1 2 335.379 0.941 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ncoc2-c2ccon2)C1 ZINC001266353226 835754576 /nfs/dbraw/zinc/75/45/76/835754576.db2.gz RGJFDWZNARANTM-LLVKDONJSA-N 1 2 345.359 0.436 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ncoc2-c2ccon2)C1 ZINC001266353226 835754585 /nfs/dbraw/zinc/75/45/85/835754585.db2.gz RGJFDWZNARANTM-LLVKDONJSA-N 1 2 345.359 0.436 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1CC12CC[NH+](Cc1nnnn1C)CC2 ZINC001266366476 835777781 /nfs/dbraw/zinc/77/77/81/835777781.db2.gz TUZDJQCZKRGZEL-UONOGXRCSA-N 1 2 348.451 0.662 20 30 ECEDLO CC(C)C#CC(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC001266460989 835862807 /nfs/dbraw/zinc/86/28/07/835862807.db2.gz HGYLZPUNQGJKPB-CQSZACIVSA-N 1 2 334.420 0.215 20 30 ECEDLO CC(C)C#CC(=O)NC[C@H]1CCC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC001266460989 835862811 /nfs/dbraw/zinc/86/28/11/835862811.db2.gz HGYLZPUNQGJKPB-CQSZACIVSA-N 1 2 334.420 0.215 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(C2CC2)n(C)n1 ZINC001266467828 835868149 /nfs/dbraw/zinc/86/81/49/835868149.db2.gz DWRVFENVTRLZOK-AWEZNQCLSA-N 1 2 343.431 0.241 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C2CC2)n(C)n1 ZINC001266467828 835868156 /nfs/dbraw/zinc/86/81/56/835868156.db2.gz DWRVFENVTRLZOK-AWEZNQCLSA-N 1 2 343.431 0.241 20 30 ECEDLO C#CCOCCC(=O)NC[C@H]1CC[N@@H+](CC(=O)NCC(F)(F)F)C1 ZINC001266513713 835924944 /nfs/dbraw/zinc/92/49/44/835924944.db2.gz FUBSWCOJECJBAE-GFCCVEGCSA-N 1 2 349.353 0.143 20 30 ECEDLO C#CCOCCC(=O)NC[C@H]1CC[N@H+](CC(=O)NCC(F)(F)F)C1 ZINC001266513713 835924951 /nfs/dbraw/zinc/92/49/51/835924951.db2.gz FUBSWCOJECJBAE-GFCCVEGCSA-N 1 2 349.353 0.143 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2nnc(C)n2CCC)C1 ZINC001266514330 835926275 /nfs/dbraw/zinc/92/62/75/835926275.db2.gz PYGMGLGBAQBBAU-ZBFHGGJFSA-N 1 2 347.463 0.973 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2nnc(C)n2CCC)C1 ZINC001266514330 835926281 /nfs/dbraw/zinc/92/62/81/835926281.db2.gz PYGMGLGBAQBBAU-ZBFHGGJFSA-N 1 2 347.463 0.973 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1CCC[N@H+](Cc2nnnn2C2CC2)C1 ZINC001266750465 836241196 /nfs/dbraw/zinc/24/11/96/836241196.db2.gz XJCBPTLPATTXJB-GUYCJALGSA-N 1 2 348.451 0.663 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC001266750465 836241208 /nfs/dbraw/zinc/24/12/08/836241208.db2.gz XJCBPTLPATTXJB-GUYCJALGSA-N 1 2 348.451 0.663 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[N@@H+](C)CC(=O)Nc1c(C)n[nH]c1C ZINC001267193340 836956888 /nfs/dbraw/zinc/95/68/88/836956888.db2.gz NSWGKOIHCUZHNR-MRXNPFEDSA-N 1 2 337.424 0.340 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[N@H+](C)CC(=O)Nc1c(C)n[nH]c1C ZINC001267193340 836956898 /nfs/dbraw/zinc/95/68/98/836956898.db2.gz NSWGKOIHCUZHNR-MRXNPFEDSA-N 1 2 337.424 0.340 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1c[nH]nc1-c1ccncc1 ZINC001267205749 836985959 /nfs/dbraw/zinc/98/59/59/836985959.db2.gz XYCHKIMZKZIHCZ-UHFFFAOYSA-N 1 2 342.403 0.436 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1c[nH]nc1-c1ccncc1 ZINC001267205749 836985966 /nfs/dbraw/zinc/98/59/66/836985966.db2.gz XYCHKIMZKZIHCZ-UHFFFAOYSA-N 1 2 342.403 0.436 20 30 ECEDLO Cc1sc(Cl)nc1C(=O)NCC[N@@H+](C)CC(=O)NCC#N ZINC001267206809 836988696 /nfs/dbraw/zinc/98/86/96/836988696.db2.gz QFBFCVBZCJNOKK-UHFFFAOYSA-N 1 2 329.813 0.406 20 30 ECEDLO Cc1sc(Cl)nc1C(=O)NCC[N@H+](C)CC(=O)NCC#N ZINC001267206809 836988703 /nfs/dbraw/zinc/98/87/03/836988703.db2.gz QFBFCVBZCJNOKK-UHFFFAOYSA-N 1 2 329.813 0.406 20 30 ECEDLO C#CCC[N@H+]1CCC[C@@H]1CNC(=O)CS(=O)(=O)C1CCCC1 ZINC001267269940 837109510 /nfs/dbraw/zinc/10/95/10/837109510.db2.gz FFWXXBFYCPBCNS-CQSZACIVSA-N 1 2 326.462 0.948 20 30 ECEDLO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)CS(=O)(=O)C1CCCC1 ZINC001267269940 837109516 /nfs/dbraw/zinc/10/95/16/837109516.db2.gz FFWXXBFYCPBCNS-CQSZACIVSA-N 1 2 326.462 0.948 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1ocnc1CC ZINC001267275015 837116462 /nfs/dbraw/zinc/11/64/62/837116462.db2.gz BONJCDBNWHYDGB-OLZOCXBDSA-N 1 2 332.404 0.569 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1ocnc1CC ZINC001267275015 837116474 /nfs/dbraw/zinc/11/64/74/837116474.db2.gz BONJCDBNWHYDGB-OLZOCXBDSA-N 1 2 332.404 0.569 20 30 ECEDLO C=CCOCC[N@H+]1CCC[C@H]1CNC(=O)[C@]1(C)CCCS1(=O)=O ZINC001267277747 837123610 /nfs/dbraw/zinc/12/36/10/837123610.db2.gz AKUFTANSTKRCCY-HOCLYGCPSA-N 1 2 344.477 0.737 20 30 ECEDLO C=CCOCC[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(C)CCCS1(=O)=O ZINC001267277747 837123618 /nfs/dbraw/zinc/12/36/18/837123618.db2.gz AKUFTANSTKRCCY-HOCLYGCPSA-N 1 2 344.477 0.737 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnc(CC)s1 ZINC001267283260 837131721 /nfs/dbraw/zinc/13/17/21/837131721.db2.gz LCXBQYXZZNZDFU-GFCCVEGCSA-N 1 2 334.445 0.649 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc(CC)s1 ZINC001267283260 837131727 /nfs/dbraw/zinc/13/17/27/837131727.db2.gz LCXBQYXZZNZDFU-GFCCVEGCSA-N 1 2 334.445 0.649 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@H]1CC[N@H+](CC(=O)Nc2cnccn2)C1 ZINC001267291411 837142827 /nfs/dbraw/zinc/14/28/27/837142827.db2.gz FYTDMDQUEPOXJJ-CXAGYDPISA-N 1 2 347.419 0.180 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC[C@H]1CC[N@@H+](CC(=O)Nc2cnccn2)C1 ZINC001267291411 837142833 /nfs/dbraw/zinc/14/28/33/837142833.db2.gz FYTDMDQUEPOXJJ-CXAGYDPISA-N 1 2 347.419 0.180 20 30 ECEDLO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CSCC#N)C1)C1CC1 ZINC001267611280 837972349 /nfs/dbraw/zinc/97/23/49/837972349.db2.gz NAAMPVZAGISEPU-TZMCWYRMSA-N 1 2 338.477 0.738 20 30 ECEDLO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CSCC#N)C1)C1CC1 ZINC001267611280 837972351 /nfs/dbraw/zinc/97/23/51/837972351.db2.gz NAAMPVZAGISEPU-TZMCWYRMSA-N 1 2 338.477 0.738 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cc2ccc(F)cc2F)C1 ZINC001267613277 837983626 /nfs/dbraw/zinc/98/36/26/837983626.db2.gz CSVCCOZCFAACCH-OAHLLOKOSA-N 1 2 349.381 0.837 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(F)cc2F)C1 ZINC001267613277 837983632 /nfs/dbraw/zinc/98/36/32/837983632.db2.gz CSVCCOZCFAACCH-OAHLLOKOSA-N 1 2 349.381 0.837 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cc(OC)ncn2)C1 ZINC001267613686 837986779 /nfs/dbraw/zinc/98/67/79/837986779.db2.gz PZURSELNJSBPFH-QWHCGFSZSA-N 1 2 347.419 0.370 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cc(OC)ncn2)C1 ZINC001267613686 837986791 /nfs/dbraw/zinc/98/67/91/837986791.db2.gz PZURSELNJSBPFH-QWHCGFSZSA-N 1 2 347.419 0.370 20 30 ECEDLO CC(C)C#CC(=O)N[C@H]1CCC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001267626265 838076239 /nfs/dbraw/zinc/07/62/39/838076239.db2.gz RKXGHIFANXAWKF-GJZGRUSLSA-N 1 2 326.462 0.661 20 30 ECEDLO CC(C)C#CC(=O)N[C@H]1CCC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001267626265 838076252 /nfs/dbraw/zinc/07/62/52/838076252.db2.gz RKXGHIFANXAWKF-GJZGRUSLSA-N 1 2 326.462 0.661 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H](C[N@@H+](C)Cc2nnc3n2CCOC3)C1 ZINC001267631549 838091301 /nfs/dbraw/zinc/09/13/01/838091301.db2.gz GPLUCEMOBKPVON-CQSZACIVSA-N 1 2 349.435 0.291 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H](C[N@H+](C)Cc2nnc3n2CCOC3)C1 ZINC001267631549 838091310 /nfs/dbraw/zinc/09/13/10/838091310.db2.gz GPLUCEMOBKPVON-CQSZACIVSA-N 1 2 349.435 0.291 20 30 ECEDLO C#CCOCCC(=O)NCC1C[NH+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)C1 ZINC001267681446 838241476 /nfs/dbraw/zinc/24/14/76/838241476.db2.gz MZUYRKDHNRCCLF-HZPDHXFCSA-N 1 2 349.475 0.579 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC1C[NH+]([C@@H](C)C(=O)NCc2ccco2)C1 ZINC001267681442 838241652 /nfs/dbraw/zinc/24/16/52/838241652.db2.gz MZCYUVROXWGACZ-UONOGXRCSA-N 1 2 347.415 0.371 20 30 ECEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CC(CNC(=O)C#CC3CC3)C2)C1 ZINC001267682407 838245000 /nfs/dbraw/zinc/24/50/00/838245000.db2.gz VWNALKQHQNQDGX-GASCZTMLSA-N 1 2 331.460 0.952 20 30 ECEDLO C#CCNC(=O)CN1CC(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267686915 838250102 /nfs/dbraw/zinc/25/01/02/838250102.db2.gz WVQBGGQTHJAVON-INIZCTEOSA-N 1 2 345.447 0.268 20 30 ECEDLO CC(C)C#CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC001267722919 838377292 /nfs/dbraw/zinc/37/72/92/838377292.db2.gz RKCYLMLIWOUVLQ-KBPBESRZSA-N 1 2 336.436 0.459 20 30 ECEDLO CC(C)C#CC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC001267722919 838377299 /nfs/dbraw/zinc/37/72/99/838377299.db2.gz RKCYLMLIWOUVLQ-KBPBESRZSA-N 1 2 336.436 0.459 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](CC)CC(F)(F)F)C1 ZINC001267732737 838420957 /nfs/dbraw/zinc/42/09/57/838420957.db2.gz ZJODTFPXUQRAPF-NEPJUHHUSA-N 1 2 333.354 0.905 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](CC)CC(F)(F)F)C1 ZINC001267732737 838420960 /nfs/dbraw/zinc/42/09/60/838420960.db2.gz ZJODTFPXUQRAPF-NEPJUHHUSA-N 1 2 333.354 0.905 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](OC)C2CCCCC2)C1 ZINC001267735529 838429995 /nfs/dbraw/zinc/42/99/95/838429995.db2.gz BNHUPTPXBNXJBW-RDJZCZTQSA-N 1 2 335.448 0.522 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](OC)C2CCCCC2)C1 ZINC001267735529 838429997 /nfs/dbraw/zinc/42/99/97/838429997.db2.gz BNHUPTPXBNXJBW-RDJZCZTQSA-N 1 2 335.448 0.522 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001267738801 838436598 /nfs/dbraw/zinc/43/65/98/838436598.db2.gz CMKFSDQVHPFGQD-JHJVBQTASA-N 1 2 336.436 0.623 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001267738801 838436601 /nfs/dbraw/zinc/43/66/01/838436601.db2.gz CMKFSDQVHPFGQD-JHJVBQTASA-N 1 2 336.436 0.623 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccco2)C1 ZINC001267741656 838443357 /nfs/dbraw/zinc/44/33/57/838443357.db2.gz HONBLHKJEOKNTP-OAHLLOKOSA-N 1 2 347.415 0.468 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccco2)C1 ZINC001267741656 838443360 /nfs/dbraw/zinc/44/33/60/838443360.db2.gz HONBLHKJEOKNTP-OAHLLOKOSA-N 1 2 347.415 0.468 20 30 ECEDLO Cc1nc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)c2ccccn12 ZINC001267744473 838447168 /nfs/dbraw/zinc/44/71/68/838447168.db2.gz DOPAVOHYHAAMNW-CYBMUJFWSA-N 1 2 340.387 0.087 20 30 ECEDLO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)c2ccccn12 ZINC001267744473 838447174 /nfs/dbraw/zinc/44/71/74/838447174.db2.gz DOPAVOHYHAAMNW-CYBMUJFWSA-N 1 2 340.387 0.087 20 30 ECEDLO Cc1nc(CCC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)cs1 ZINC001267749946 838468149 /nfs/dbraw/zinc/46/81/49/838468149.db2.gz QZCOBSMJHAFBOZ-GFCCVEGCSA-N 1 2 335.433 0.214 20 30 ECEDLO Cc1nc(CCC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)cs1 ZINC001267749946 838468152 /nfs/dbraw/zinc/46/81/52/838468152.db2.gz QZCOBSMJHAFBOZ-GFCCVEGCSA-N 1 2 335.433 0.214 20 30 ECEDLO Cc1cc(C)cc(OCC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)c1 ZINC001267754554 838477867 /nfs/dbraw/zinc/47/78/67/838477867.db2.gz LTGUOYJJZHSGQB-OAHLLOKOSA-N 1 2 344.415 0.513 20 30 ECEDLO Cc1cc(C)cc(OCC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)c1 ZINC001267754554 838477871 /nfs/dbraw/zinc/47/78/71/838477871.db2.gz LTGUOYJJZHSGQB-OAHLLOKOSA-N 1 2 344.415 0.513 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccc(NC(C)=O)c2)C1 ZINC001267754954 838479504 /nfs/dbraw/zinc/47/95/04/838479504.db2.gz UZYCLGSKFDRTND-MRXNPFEDSA-N 1 2 344.415 0.751 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(NC(C)=O)c2)C1 ZINC001267754954 838479508 /nfs/dbraw/zinc/47/95/08/838479508.db2.gz UZYCLGSKFDRTND-MRXNPFEDSA-N 1 2 344.415 0.751 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(OC)ccn2)C1 ZINC001267768276 838504650 /nfs/dbraw/zinc/50/46/50/838504650.db2.gz NBOQRQKJGFIKML-ZDUSSCGKSA-N 1 2 332.404 0.539 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(OC)ccn2)C1 ZINC001267768276 838504658 /nfs/dbraw/zinc/50/46/58/838504658.db2.gz NBOQRQKJGFIKML-ZDUSSCGKSA-N 1 2 332.404 0.539 20 30 ECEDLO CCN(C(=O)c1ccc(C)c(C)n1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267787662 838565395 /nfs/dbraw/zinc/56/53/95/838565395.db2.gz HSRSSFPOYKMGAY-HNNXBMFYSA-N 1 2 343.431 0.875 20 30 ECEDLO CCN(C(=O)c1ccc(C)c(C)n1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267787662 838565401 /nfs/dbraw/zinc/56/54/01/838565401.db2.gz HSRSSFPOYKMGAY-HNNXBMFYSA-N 1 2 343.431 0.875 20 30 ECEDLO CC#CCCCC(=O)N(CC)[C@@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001267788655 838568627 /nfs/dbraw/zinc/56/86/27/838568627.db2.gz BRMTYEXVXBRSPW-CQSZACIVSA-N 1 2 333.436 0.725 20 30 ECEDLO CC#CCCCC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001267788655 838568632 /nfs/dbraw/zinc/56/86/32/838568632.db2.gz BRMTYEXVXBRSPW-CQSZACIVSA-N 1 2 333.436 0.725 20 30 ECEDLO N#CCSCC(=O)N1CC(n2cc(C[NH2+]C/C=C\Cl)nn2)C1 ZINC001105170222 838709801 /nfs/dbraw/zinc/70/98/01/838709801.db2.gz ZZONFNDRFQGTCC-UPHRSURJSA-N 1 2 340.840 0.760 20 30 ECEDLO CCO[C@@H](CC)C(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105178878 838727035 /nfs/dbraw/zinc/72/70/35/838727035.db2.gz WKHYOZRWEORQHX-INIZCTEOSA-N 1 2 349.435 0.216 20 30 ECEDLO CC(C)C#CC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCc2cccnc2)C1 ZINC001267931489 838813433 /nfs/dbraw/zinc/81/34/33/838813433.db2.gz TZRQENGKUQXLAA-QGZVFWFLSA-N 1 2 342.443 0.938 20 30 ECEDLO CC(C)C#CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCc2cccnc2)C1 ZINC001267931489 838813445 /nfs/dbraw/zinc/81/34/45/838813445.db2.gz TZRQENGKUQXLAA-QGZVFWFLSA-N 1 2 342.443 0.938 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@]2(C3CCCC3)CCNC2=O)C1 ZINC001268024349 839012889 /nfs/dbraw/zinc/01/28/89/839012889.db2.gz CRFATMPKIFAOPV-YJBOKZPZSA-N 1 2 335.448 0.686 20 30 ECEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@]2(C3CCCC3)CCNC2=O)C1 ZINC001268024349 839012900 /nfs/dbraw/zinc/01/29/00/839012900.db2.gz CRFATMPKIFAOPV-YJBOKZPZSA-N 1 2 335.448 0.686 20 30 ECEDLO C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)c2cncnc2CC)C1 ZINC001268028683 839043488 /nfs/dbraw/zinc/04/34/88/839043488.db2.gz LMFGUCULNBRPBZ-AWEZNQCLSA-N 1 2 334.420 0.672 20 30 ECEDLO C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)c2cncnc2CC)C1 ZINC001268028683 839043494 /nfs/dbraw/zinc/04/34/94/839043494.db2.gz LMFGUCULNBRPBZ-AWEZNQCLSA-N 1 2 334.420 0.672 20 30 ECEDLO CN(CC[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000128984190 529910546 /nfs/dbraw/zinc/91/05/46/529910546.db2.gz HZAQLWNSBIIIAO-UHFFFAOYSA-N 1 2 334.351 0.426 20 30 ECEDLO N#Cc1cc([N+](=O)[O-])cnc1N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000378054417 283113894 /nfs/dbraw/zinc/11/38/94/283113894.db2.gz RNFUDCYSDUDVMD-CQSZACIVSA-N 1 2 344.375 0.652 20 30 ECEDLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000187961525 236358890 /nfs/dbraw/zinc/35/88/90/236358890.db2.gz USFGZWBDLJZHRR-NSHDSACASA-N 1 2 343.836 0.899 20 30 ECEDLO C[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CCN1C(=O)c1cnn(C)c1 ZINC000449762556 211297313 /nfs/dbraw/zinc/29/73/13/211297313.db2.gz JEUDJQZOTZBZOX-ZDUSSCGKSA-N 1 2 326.404 0.977 20 30 ECEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CCN1C(=O)c1cnn(C)c1 ZINC000449762556 211297316 /nfs/dbraw/zinc/29/73/16/211297316.db2.gz JEUDJQZOTZBZOX-ZDUSSCGKSA-N 1 2 326.404 0.977 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CSCCS2)CC1 ZINC000267467923 251085191 /nfs/dbraw/zinc/08/51/91/251085191.db2.gz NASFLKSGMUHQCK-ZDUSSCGKSA-N 1 2 341.502 0.119 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CSCCS2)CC1 ZINC000267467923 251085193 /nfs/dbraw/zinc/08/51/93/251085193.db2.gz NASFLKSGMUHQCK-ZDUSSCGKSA-N 1 2 341.502 0.119 20 30 ECEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000267634828 251210962 /nfs/dbraw/zinc/21/09/62/251210962.db2.gz GHHZDZKCJSLSPV-ZBFHGGJFSA-N 1 2 347.415 0.477 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2c[nH]c(C(=O)OC)c2)CC1 ZINC000266202899 533054570 /nfs/dbraw/zinc/05/45/70/533054570.db2.gz SUUGMPRYNGWOEA-UHFFFAOYSA-N 1 2 325.390 0.131 20 30 ECEDLO C=CCC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000121381947 254494803 /nfs/dbraw/zinc/49/48/03/254494803.db2.gz BFMNRSDEUFLTHB-AWEZNQCLSA-N 1 2 343.449 0.925 20 30 ECEDLO CCN(CCC#N)C(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000275719476 254542804 /nfs/dbraw/zinc/54/28/04/254542804.db2.gz OBXYHTZFNYJTCC-UHFFFAOYSA-N 1 2 345.403 0.927 20 30 ECEDLO COc1nccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000282747599 254555076 /nfs/dbraw/zinc/55/50/76/254555076.db2.gz UUWRQJZJJPDUJX-UHFFFAOYSA-N 1 2 334.380 0.565 20 30 ECEDLO C=CCN(CC)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000378215984 254759533 /nfs/dbraw/zinc/75/95/33/254759533.db2.gz AWTAIVICUMMGRD-UHFFFAOYSA-N 1 2 335.408 0.188 20 30 ECEDLO O=C(C[NH+]1CCN(CC#Cc2ccc(F)cc2)CC1)N1CCOCC1 ZINC000154586358 224275288 /nfs/dbraw/zinc/27/52/88/224275288.db2.gz ALYYRXDRELCRPK-UHFFFAOYSA-N 1 2 345.418 0.654 20 30 ECEDLO Cc1ccc(N2CC[NH+]([C@H](C)C(=O)N3CCOCC3)CC2)nc1C#N ZINC000408268050 165723101 /nfs/dbraw/zinc/72/31/01/165723101.db2.gz ISPDNTYGPPAEET-OAHLLOKOSA-N 1 2 343.431 0.631 20 30 ECEDLO Cc1cccc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1C#N ZINC000122367357 222073722 /nfs/dbraw/zinc/07/37/22/222073722.db2.gz IIMIGIMWAHSJEI-ZIAGYGMSSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cccc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1C#N ZINC000122367357 222073726 /nfs/dbraw/zinc/07/37/26/222073726.db2.gz IIMIGIMWAHSJEI-ZIAGYGMSSA-N 1 2 337.445 0.942 20 30 ECEDLO Cn1cc(C[NH+]2CCN(C(=O)Nc3nn(C)cc3C#N)CC2)cn1 ZINC000610560608 420600236 /nfs/dbraw/zinc/60/02/36/420600236.db2.gz GTBNCVRGVAFICK-UHFFFAOYSA-N 1 2 328.380 0.375 20 30 ECEDLO COCCN1CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC1=O ZINC000271108387 263300258 /nfs/dbraw/zinc/30/02/58/263300258.db2.gz YIUGSIOTRQCOLH-OAHLLOKOSA-N 1 2 333.388 0.089 20 30 ECEDLO COCCN1CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC1=O ZINC000271108387 263300261 /nfs/dbraw/zinc/30/02/61/263300261.db2.gz YIUGSIOTRQCOLH-OAHLLOKOSA-N 1 2 333.388 0.089 20 30 ECEDLO N#Cc1cccc(CS(=O)(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000354553831 270006745 /nfs/dbraw/zinc/00/67/45/270006745.db2.gz RUMOKWKGRYWYIW-UHFFFAOYSA-N 1 2 345.428 0.929 20 30 ECEDLO N#Cc1ccc(CN2CC[N@@H+](C[C@@H](O)Cn3cccn3)CC2=O)cc1 ZINC000363057735 270007338 /nfs/dbraw/zinc/00/73/38/270007338.db2.gz HLNYMHSKLMZOOZ-QGZVFWFLSA-N 1 2 339.399 0.460 20 30 ECEDLO N#Cc1ccc(CN2CC[N@H+](C[C@@H](O)Cn3cccn3)CC2=O)cc1 ZINC000363057735 270007339 /nfs/dbraw/zinc/00/73/39/270007339.db2.gz HLNYMHSKLMZOOZ-QGZVFWFLSA-N 1 2 339.399 0.460 20 30 ECEDLO N#Cc1ncn(C2CC[NH+]([C@@H]3CCN(CC(F)(F)F)C3=O)CC2)n1 ZINC000375917553 270007823 /nfs/dbraw/zinc/00/78/23/270007823.db2.gz BTSFROSNJJQLHT-LLVKDONJSA-N 1 2 342.325 0.950 20 30 ECEDLO CCNC(=O)C[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000341740855 266164378 /nfs/dbraw/zinc/16/43/78/266164378.db2.gz IOFVNMBDYOLHQL-UHFFFAOYSA-N 1 2 332.364 0.307 20 30 ECEDLO CS(=O)(=O)CC1(C[NH+]2CCN(c3cccc(C#N)n3)CC2)CC1 ZINC000355079655 266913026 /nfs/dbraw/zinc/91/30/26/266913026.db2.gz KFMAUVGTUCAITG-UHFFFAOYSA-N 1 2 334.445 0.900 20 30 ECEDLO C[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)C[NH+]1CCOCC1 ZINC000288437231 266931138 /nfs/dbraw/zinc/93/11/38/266931138.db2.gz UDDZVAYNQWHJPI-AWEZNQCLSA-N 1 2 337.445 0.946 20 30 ECEDLO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343992403 267028697 /nfs/dbraw/zinc/02/86/97/267028697.db2.gz VCJBSQTWFVMCNU-YPMHNXCESA-N 1 2 336.417 0.313 20 30 ECEDLO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343992403 267028700 /nfs/dbraw/zinc/02/87/00/267028700.db2.gz VCJBSQTWFVMCNU-YPMHNXCESA-N 1 2 336.417 0.313 20 30 ECEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(c3nccc(C#N)n3)CC2)C1 ZINC000296649709 267073965 /nfs/dbraw/zinc/07/39/65/267073965.db2.gz XGGPBCBSDZPOMO-HUUCEWRRSA-N 1 2 342.447 0.975 20 30 ECEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1sccc1C#N ZINC000293691809 267089373 /nfs/dbraw/zinc/08/93/73/267089373.db2.gz LFBXSCYHLSTUTC-YPMHNXCESA-N 1 2 348.428 0.880 20 30 ECEDLO C[C@H](C(=O)N1CC[NH+](Cc2cccnc2)CC1)n1cnc(C#N)n1 ZINC000342440841 267126551 /nfs/dbraw/zinc/12/65/51/267126551.db2.gz RXSMOBFFENOFTD-CYBMUJFWSA-N 1 2 325.376 0.450 20 30 ECEDLO C[C@H](Oc1ccccc1C#N)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000345005211 267201456 /nfs/dbraw/zinc/20/14/56/267201456.db2.gz HPKCBJMUPOYDAZ-GOEBONIOSA-N 1 2 347.415 0.477 20 30 ECEDLO C[C@H]1C[NH+](CCN(C)C(=O)C(=O)Nc2ccc(C#N)cn2)C[C@H](C)O1 ZINC000340388944 267232441 /nfs/dbraw/zinc/23/24/41/267232441.db2.gz LKSBXKMSNAZSAD-STQMWFEESA-N 1 2 345.403 0.459 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@@H](S(N)(=O)=O)C3)C2=O)cc1 ZINC000331545090 268123470 /nfs/dbraw/zinc/12/34/70/268123470.db2.gz IKGKYVYXCZANBX-ZIAGYGMSSA-N 1 2 334.401 0.026 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@@H](S(N)(=O)=O)C3)C2=O)cc1 ZINC000331545090 268123472 /nfs/dbraw/zinc/12/34/72/268123472.db2.gz IKGKYVYXCZANBX-ZIAGYGMSSA-N 1 2 334.401 0.026 20 30 ECEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)cc1 ZINC000358199330 268139603 /nfs/dbraw/zinc/13/96/03/268139603.db2.gz QXKSYFNJQJBXMC-ZDUSSCGKSA-N 1 2 336.417 0.497 20 30 ECEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)cc1 ZINC000358199330 268139606 /nfs/dbraw/zinc/13/96/06/268139606.db2.gz QXKSYFNJQJBXMC-ZDUSSCGKSA-N 1 2 336.417 0.497 20 30 ECEDLO N#Cc1c2c(cn(C[NH+]3CCC4(COC(=O)N4)CC3)c1=O)CCC2 ZINC000497156945 268168979 /nfs/dbraw/zinc/16/89/79/268168979.db2.gz AAEFSTLANWCUHK-UHFFFAOYSA-N 1 2 328.372 0.741 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)o1 ZINC000288128626 268195763 /nfs/dbraw/zinc/19/57/63/268195763.db2.gz MMOGJOQYMXRCAU-GFCCVEGCSA-N 1 2 325.390 0.494 20 30 ECEDLO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCCS(=O)(=O)C1)c1ccco1 ZINC000330714549 437598006 /nfs/dbraw/zinc/59/80/06/437598006.db2.gz XQFOFCWQOKRYQC-VXGBXAGGSA-N 1 2 329.422 0.963 20 30 ECEDLO CN(CC(C)(C)O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330740493 437603130 /nfs/dbraw/zinc/60/31/30/437603130.db2.gz RAJQATYMJRBUEV-UHFFFAOYSA-N 1 2 349.435 0.717 20 30 ECEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000329187935 288710491 /nfs/dbraw/zinc/71/04/91/288710491.db2.gz BJHJDSCZYVELPT-RFGFWPKPSA-N 1 2 340.424 0.778 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000340228182 437612089 /nfs/dbraw/zinc/61/20/89/437612089.db2.gz JDWJJGNXNCNGSE-ZFWWWQNUSA-N 1 2 346.431 0.861 20 30 ECEDLO CN1CCN(C(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C[C@@H]1C#N ZINC000298790592 290007077 /nfs/dbraw/zinc/00/70/77/290007077.db2.gz RWRWWJVFBYTOTQ-STQMWFEESA-N 1 2 330.392 0.129 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCO[C@@]4(CCSC4)C3)C[C@@H]21 ZINC000329625189 290088277 /nfs/dbraw/zinc/08/82/77/290088277.db2.gz SQVZFWAHJJXYBK-CTASWTNQSA-N 1 2 341.477 0.970 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCO[C@@]4(CCSC4)C3)C[C@@H]21 ZINC000329625189 290088281 /nfs/dbraw/zinc/08/82/81/290088281.db2.gz SQVZFWAHJJXYBK-CTASWTNQSA-N 1 2 341.477 0.970 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)CC2(CC#N)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000333456284 297038679 /nfs/dbraw/zinc/03/86/79/297038679.db2.gz STXQIYGYIPLUJQ-KGLIPLIRSA-N 1 2 327.450 0.663 20 30 ECEDLO CCN1CCC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1=O ZINC000190233585 437620344 /nfs/dbraw/zinc/62/03/44/437620344.db2.gz GQHMMOLMKPXWQR-MRXNPFEDSA-N 1 2 349.479 0.233 20 30 ECEDLO CCN1CCC[N@@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1=O ZINC000190233585 437620349 /nfs/dbraw/zinc/62/03/49/437620349.db2.gz GQHMMOLMKPXWQR-MRXNPFEDSA-N 1 2 349.479 0.233 20 30 ECEDLO C[C@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@]2(CCCOC2)O1 ZINC000377214540 300238201 /nfs/dbraw/zinc/23/82/01/300238201.db2.gz NJOJZQFIPACHGB-RDJZCZTQSA-N 1 2 334.420 0.912 20 30 ECEDLO C[C@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@]2(CCCOC2)O1 ZINC000377214540 300238204 /nfs/dbraw/zinc/23/82/04/300238204.db2.gz NJOJZQFIPACHGB-RDJZCZTQSA-N 1 2 334.420 0.912 20 30 ECEDLO C#CC[NH+](CC#C)CC(=O)NCc1cc(OC)c(OC)cc1OC ZINC000076186056 436193811 /nfs/dbraw/zinc/19/38/11/436193811.db2.gz UKBJJKRWGXVVKH-UHFFFAOYSA-N 1 2 330.384 0.897 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000076384614 436201881 /nfs/dbraw/zinc/20/18/81/436201881.db2.gz PWJHZGVIXODLPU-HUUCEWRRSA-N 1 2 326.462 0.804 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCN(c3ccccc3F)CC2)CC1 ZINC000081643473 436352566 /nfs/dbraw/zinc/35/25/66/436352566.db2.gz DBVNFWZOLYWJFK-UHFFFAOYSA-N 1 2 344.434 0.725 20 30 ECEDLO C=CCOCCCC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000079628307 436302091 /nfs/dbraw/zinc/30/20/91/436302091.db2.gz ORGXOFUKINVIDD-UHFFFAOYSA-N 1 2 333.436 0.698 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000042534380 436306415 /nfs/dbraw/zinc/30/64/15/436306415.db2.gz MOJATCSTDGEIBR-BBWFWOEESA-N 1 2 348.491 0.246 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000079965780 436310865 /nfs/dbraw/zinc/31/08/65/436310865.db2.gz JPMWXOXSILUHGD-KGLIPLIRSA-N 1 2 331.482 0.813 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000079965780 436310868 /nfs/dbraw/zinc/31/08/68/436310868.db2.gz JPMWXOXSILUHGD-KGLIPLIRSA-N 1 2 331.482 0.813 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000042631963 436311200 /nfs/dbraw/zinc/31/12/00/436311200.db2.gz AVYPBEZLICCLBV-MRXNPFEDSA-N 1 2 334.464 0.145 20 30 ECEDLO C#CCNC(=O)[C@@H](C)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000042631963 436311203 /nfs/dbraw/zinc/31/12/03/436311203.db2.gz AVYPBEZLICCLBV-MRXNPFEDSA-N 1 2 334.464 0.145 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+]([C@@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000045606828 436371046 /nfs/dbraw/zinc/37/10/46/436371046.db2.gz VTBDITDORZGAAV-GOSISDBHSA-N 1 2 344.459 0.736 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(C(=O)N(C)C)c(C)c2)CC1 ZINC000085278422 436387342 /nfs/dbraw/zinc/38/73/42/436387342.db2.gz VTBFYPCIPYMGCI-UHFFFAOYSA-N 1 2 342.443 0.886 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(F)c2C(=O)OC)CC1 ZINC000085276649 436387541 /nfs/dbraw/zinc/38/75/41/436387541.db2.gz LREGARYTENMMRO-UHFFFAOYSA-N 1 2 333.363 0.802 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(Cl)ccc2C(=O)NC)CC1 ZINC000085273697 436387599 /nfs/dbraw/zinc/38/75/99/436387599.db2.gz MTWUCSJOAVZICM-UHFFFAOYSA-N 1 2 348.834 0.889 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(OC)ccc2NC(C)=O)CC1 ZINC000085274189 436387976 /nfs/dbraw/zinc/38/79/76/436387976.db2.gz VOHJIEWEEPJXNZ-UHFFFAOYSA-N 1 2 344.415 0.843 20 30 ECEDLO C=CCN(CC=C)C(=O)CN1CCC[N@@H+](CC(=O)NC(C)C)CC1 ZINC000046516636 436396849 /nfs/dbraw/zinc/39/68/49/436396849.db2.gz IJAADRLQUPJXQI-UHFFFAOYSA-N 1 2 336.480 0.719 20 30 ECEDLO C=CCN(CC=C)C(=O)CN1CCC[N@H+](CC(=O)NC(C)C)CC1 ZINC000046516636 436396851 /nfs/dbraw/zinc/39/68/51/436396851.db2.gz IJAADRLQUPJXQI-UHFFFAOYSA-N 1 2 336.480 0.719 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccsc2C(=O)OC)CC1 ZINC000088491149 436400748 /nfs/dbraw/zinc/40/07/48/436400748.db2.gz KUXKUQGGNPRNKZ-UHFFFAOYSA-N 1 2 337.445 0.955 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000081710317 436354432 /nfs/dbraw/zinc/35/44/32/436354432.db2.gz JNTLBXWWUXZMTC-INIZCTEOSA-N 1 2 334.445 0.834 20 30 ECEDLO Cc1nn(-c2ccccc2)c(CN2CC[NH+](CC(N)=O)CC2)c1C#N ZINC000091066120 436439623 /nfs/dbraw/zinc/43/96/23/436439623.db2.gz ALLULIWPWLCJTD-UHFFFAOYSA-N 1 2 338.415 0.655 20 30 ECEDLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000091671146 436456328 /nfs/dbraw/zinc/45/63/28/436456328.db2.gz BSTZSXRGKNSOCQ-AWEZNQCLSA-N 1 2 329.404 0.323 20 30 ECEDLO CC(C)(CNC(=O)C(=O)Nc1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000048757811 436460200 /nfs/dbraw/zinc/46/02/00/436460200.db2.gz DZKLATSFFYWLGB-UHFFFAOYSA-N 1 2 330.388 0.724 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@H]1CNS(C)(=O)=O ZINC000051734593 436496006 /nfs/dbraw/zinc/49/60/06/436496006.db2.gz HIAJSGLILYVGNN-AWEZNQCLSA-N 1 2 331.482 0.815 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCC[C@H]1CNS(C)(=O)=O ZINC000051734593 436496009 /nfs/dbraw/zinc/49/60/09/436496009.db2.gz HIAJSGLILYVGNN-AWEZNQCLSA-N 1 2 331.482 0.815 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000052395372 436507429 /nfs/dbraw/zinc/50/74/29/436507429.db2.gz FTEJOKVSJYZUIO-GJZGRUSLSA-N 1 2 349.479 0.279 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000052672327 436512782 /nfs/dbraw/zinc/51/27/82/436512782.db2.gz XVGDBXGKXMWOHK-STQMWFEESA-N 1 2 330.454 0.008 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000052672327 436512784 /nfs/dbraw/zinc/51/27/84/436512784.db2.gz XVGDBXGKXMWOHK-STQMWFEESA-N 1 2 330.454 0.008 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+]([C@@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000053423666 436533080 /nfs/dbraw/zinc/53/30/80/436533080.db2.gz GYCNLMROXZKDPL-INIZCTEOSA-N 1 2 338.496 0.940 20 30 ECEDLO Cc1cc(C[NH+]2CCN(CC(=O)N(CCC#N)CCC#N)CC2)on1 ZINC000097258836 436541534 /nfs/dbraw/zinc/54/15/34/436541534.db2.gz INPLXKCQOWCACJ-UHFFFAOYSA-N 1 2 344.419 0.757 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ncccc2C(N)=O)CC1 ZINC000102399659 436551531 /nfs/dbraw/zinc/55/15/31/436551531.db2.gz IYXWNIPUSWOUDZ-ZDUSSCGKSA-N 1 2 344.419 0.063 20 30 ECEDLO N#CCCN(CCC#N)C(=O)CN1CC[NH+](Cc2ccccn2)CC1 ZINC000054983826 436562822 /nfs/dbraw/zinc/56/28/22/436562822.db2.gz RMFQIYPIJBYRDR-UHFFFAOYSA-N 1 2 340.431 0.855 20 30 ECEDLO Cc1nn(C)c(C)c1C[NH+]1CCN([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000105865771 436581116 /nfs/dbraw/zinc/58/11/16/436581116.db2.gz KKUTYXXPJAPLCS-MRXNPFEDSA-N 1 2 346.479 0.915 20 30 ECEDLO Cc1nn(C)c(C)c1CN1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000105865771 436581118 /nfs/dbraw/zinc/58/11/18/436581118.db2.gz KKUTYXXPJAPLCS-MRXNPFEDSA-N 1 2 346.479 0.915 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000105930740 436588082 /nfs/dbraw/zinc/58/80/82/436588082.db2.gz CCKCQQVIWVMQRS-QAPCUYQASA-N 1 2 346.479 0.981 20 30 ECEDLO N#Cc1ccc(CS(=O)(=O)CC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000107755190 436614430 /nfs/dbraw/zinc/61/44/30/436614430.db2.gz DCEAQCAODANSRO-UHFFFAOYSA-N 1 2 346.412 0.876 20 30 ECEDLO CC[C@@H]1COCC[N@@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000115573210 436647818 /nfs/dbraw/zinc/64/78/18/436647818.db2.gz QBCPUMBVACWUBV-CQSZACIVSA-N 1 2 347.419 0.614 20 30 ECEDLO CC[C@@H]1COCC[N@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000115573210 436647819 /nfs/dbraw/zinc/64/78/19/436647819.db2.gz QBCPUMBVACWUBV-CQSZACIVSA-N 1 2 347.419 0.614 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[C@H]3C(N)=O)CC2)cc1 ZINC000552798091 302397625 /nfs/dbraw/zinc/39/76/25/302397625.db2.gz BRKITRNYXOIINI-HZPDHXFCSA-N 1 2 326.400 0.714 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195304327 436688299 /nfs/dbraw/zinc/68/82/99/436688299.db2.gz AZOWCLSYCZZLRX-MJBXVCDLSA-N 1 2 326.441 0.428 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195304327 436688301 /nfs/dbraw/zinc/68/83/01/436688301.db2.gz AZOWCLSYCZZLRX-MJBXVCDLSA-N 1 2 326.441 0.428 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)COc2ccccc2)CC1 ZINC000140634929 436669468 /nfs/dbraw/zinc/66/94/68/436669468.db2.gz ZSDPNMDAYWVPID-INIZCTEOSA-N 1 2 343.427 0.738 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)COc2ccccc2)CC1 ZINC000140634929 436669471 /nfs/dbraw/zinc/66/94/71/436669471.db2.gz ZSDPNMDAYWVPID-INIZCTEOSA-N 1 2 343.427 0.738 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc2nc[nH]c2n1 ZINC000271265946 436679039 /nfs/dbraw/zinc/67/90/39/436679039.db2.gz KSBULQAPIWFLKS-UHFFFAOYSA-N 1 2 328.376 0.646 20 30 ECEDLO Cc1cc(C#N)ccc1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000122346294 436734209 /nfs/dbraw/zinc/73/42/09/436734209.db2.gz CKUYZSCYVZCYIQ-UHFFFAOYSA-N 1 2 330.388 0.045 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(C(=O)N(C)C)[nH]2)CC1 ZINC000122217630 436734425 /nfs/dbraw/zinc/73/44/25/436734425.db2.gz JICXEPXDSKXBDR-UHFFFAOYSA-N 1 2 333.436 0.136 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)Cc2cccc(OC)c2)CC1 ZINC000122825713 436736799 /nfs/dbraw/zinc/73/67/99/436736799.db2.gz HPYWVOLRPIOQDH-OAHLLOKOSA-N 1 2 343.427 0.520 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1C(=O)N1CCSCC1 ZINC000068554865 436749033 /nfs/dbraw/zinc/74/90/33/436749033.db2.gz HZTJMLGLYSSUGU-LBPRGKRZSA-N 1 2 340.449 0.038 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1C(=O)N1CCSCC1 ZINC000068554865 436749035 /nfs/dbraw/zinc/74/90/35/436749035.db2.gz HZTJMLGLYSSUGU-LBPRGKRZSA-N 1 2 340.449 0.038 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(C(=O)OC)c(F)c2)CC1 ZINC000124779422 436757355 /nfs/dbraw/zinc/75/73/55/436757355.db2.gz XZIVKKXAROMSQJ-UHFFFAOYSA-N 1 2 333.363 0.802 20 30 ECEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCN4C(=O)NC[C@H]4C3)C2=O)cc1 ZINC000245538998 436764294 /nfs/dbraw/zinc/76/42/94/436764294.db2.gz ZMVBOWDLUHELFF-HOTGVXAUSA-N 1 2 339.399 0.763 20 30 ECEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCN4C(=O)NC[C@H]4C3)C2=O)cc1 ZINC000245538998 436764298 /nfs/dbraw/zinc/76/42/98/436764298.db2.gz ZMVBOWDLUHELFF-HOTGVXAUSA-N 1 2 339.399 0.763 20 30 ECEDLO CC(C)Cn1c(N)c(C(=O)C[NH+]2CCC(C)(C#N)CC2)c(=O)[nH]c1=O ZINC000272471877 436716014 /nfs/dbraw/zinc/71/60/14/436716014.db2.gz ABBBZAGRTXLQIM-UHFFFAOYSA-N 1 2 347.419 0.995 20 30 ECEDLO CCS(=O)(=O)CC[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000128431228 436815239 /nfs/dbraw/zinc/81/52/39/436815239.db2.gz VOSZZAAFZFXOBA-AWEZNQCLSA-N 1 2 326.418 0.664 20 30 ECEDLO CCS(=O)(=O)CC[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000128431228 436815243 /nfs/dbraw/zinc/81/52/43/436815243.db2.gz VOSZZAAFZFXOBA-AWEZNQCLSA-N 1 2 326.418 0.664 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000154725523 436783535 /nfs/dbraw/zinc/78/35/35/436783535.db2.gz KISZACMAANWTJN-UHFFFAOYSA-N 1 2 349.456 0.670 20 30 ECEDLO CC1(C)COCC[N@@H+]1CCNC(=O)C(=O)Nc1sccc1C#N ZINC000292995621 436842330 /nfs/dbraw/zinc/84/23/30/436842330.db2.gz FRRMOQJXZMRMNW-UHFFFAOYSA-N 1 2 336.417 0.785 20 30 ECEDLO CC1(C)COCC[N@H+]1CCNC(=O)C(=O)Nc1sccc1C#N ZINC000292995621 436842335 /nfs/dbraw/zinc/84/23/35/436842335.db2.gz FRRMOQJXZMRMNW-UHFFFAOYSA-N 1 2 336.417 0.785 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\c2cncc(C)c2)CC1 ZINC000255276094 436852310 /nfs/dbraw/zinc/85/23/10/436852310.db2.gz ARXBFIWLQSZQKW-WAYWQWQTSA-N 1 2 340.427 0.687 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\c2cncc(C)c2)CC1 ZINC000255276094 436852314 /nfs/dbraw/zinc/85/23/14/436852314.db2.gz ARXBFIWLQSZQKW-WAYWQWQTSA-N 1 2 340.427 0.687 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)/C=C\c1cccc(C#N)c1 ZINC000255505757 436852967 /nfs/dbraw/zinc/85/29/67/436852967.db2.gz LYMHYIOGKYTYTE-KEGWNNHHSA-N 1 2 329.400 0.723 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[C@@H](C(N)=O)O3)CC2)cc1 ZINC000280085693 436861262 /nfs/dbraw/zinc/86/12/62/436861262.db2.gz AJFSDPFCMGAJBO-HOTGVXAUSA-N 1 2 342.399 0.235 20 30 ECEDLO N#CCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000274707023 436863006 /nfs/dbraw/zinc/86/30/06/436863006.db2.gz YEQXGOIHLDOOOS-ZDUSSCGKSA-N 1 2 330.392 0.312 20 30 ECEDLO N#CCC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000274707023 436863012 /nfs/dbraw/zinc/86/30/12/436863012.db2.gz YEQXGOIHLDOOOS-ZDUSSCGKSA-N 1 2 330.392 0.312 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000279710077 436833707 /nfs/dbraw/zinc/83/37/07/436833707.db2.gz KFOQNCGAKYTIDC-ZDUSSCGKSA-N 1 2 326.441 0.429 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000279710077 436833711 /nfs/dbraw/zinc/83/37/11/436833711.db2.gz KFOQNCGAKYTIDC-ZDUSSCGKSA-N 1 2 326.441 0.429 20 30 ECEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)n1 ZINC000279721970 436834922 /nfs/dbraw/zinc/83/49/22/436834922.db2.gz LYDOLQIHPRMMKP-LSDHHAIUSA-N 1 2 345.447 0.451 20 30 ECEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)n1 ZINC000279721970 436834923 /nfs/dbraw/zinc/83/49/23/436834923.db2.gz LYDOLQIHPRMMKP-LSDHHAIUSA-N 1 2 345.447 0.451 20 30 ECEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCc4n[nH]c(=O)cc4C3)C2=O)cc1 ZINC000274818338 436877826 /nfs/dbraw/zinc/87/78/26/436877826.db2.gz AUOWNLZYWQFNGY-INIZCTEOSA-N 1 2 335.367 0.805 20 30 ECEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCc4n[nH]c(=O)cc4C3)C2=O)cc1 ZINC000274818338 436877830 /nfs/dbraw/zinc/87/78/30/436877830.db2.gz AUOWNLZYWQFNGY-INIZCTEOSA-N 1 2 335.367 0.805 20 30 ECEDLO COC(=O)c1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)[nH]1 ZINC000293550701 436888690 /nfs/dbraw/zinc/88/86/90/436888690.db2.gz YZZDNFFWSGKOTM-UHFFFAOYSA-N 1 2 334.376 0.489 20 30 ECEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000134336003 436895910 /nfs/dbraw/zinc/89/59/10/436895910.db2.gz KEBVQSPEKVZYNL-DZGCQCFKSA-N 1 2 344.481 0.443 20 30 ECEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000134336003 436895916 /nfs/dbraw/zinc/89/59/16/436895916.db2.gz KEBVQSPEKVZYNL-DZGCQCFKSA-N 1 2 344.481 0.443 20 30 ECEDLO C=CCOc1ccc(CC(=O)NCCC[N@@H+]2CCNC(=O)C2)cc1 ZINC000295164302 436963195 /nfs/dbraw/zinc/96/31/95/436963195.db2.gz DNKYCDIUTPRBSK-UHFFFAOYSA-N 1 2 331.416 0.732 20 30 ECEDLO C=CCOc1ccc(CC(=O)NCCC[N@H+]2CCNC(=O)C2)cc1 ZINC000295164302 436963199 /nfs/dbraw/zinc/96/31/99/436963199.db2.gz DNKYCDIUTPRBSK-UHFFFAOYSA-N 1 2 331.416 0.732 20 30 ECEDLO C[C@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)[NH+]1CCN(C)CC1 ZINC000263683926 436977882 /nfs/dbraw/zinc/97/78/82/436977882.db2.gz OGTBMENPDZSTRM-OAHLLOKOSA-N 1 2 342.447 0.238 20 30 ECEDLO CC(C)[C@H](CNS(=O)(=O)c1ccc(C#N)nc1)[NH+]1CCOCC1 ZINC000170658145 436949929 /nfs/dbraw/zinc/94/99/29/436949929.db2.gz HWYBIHPDGUNGLS-HNNXBMFYSA-N 1 2 338.433 0.588 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1 ZINC000281228857 436957483 /nfs/dbraw/zinc/95/74/83/436957483.db2.gz FGZWEEDUWUWFEC-HIFRSBDPSA-N 1 2 349.412 0.762 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1 ZINC000281228857 436957485 /nfs/dbraw/zinc/95/74/85/436957485.db2.gz FGZWEEDUWUWFEC-HIFRSBDPSA-N 1 2 349.412 0.762 20 30 ECEDLO C=CCCN(C)C(=O)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000284002380 437034763 /nfs/dbraw/zinc/03/47/63/437034763.db2.gz MRNRJEXLTMNXRP-UHFFFAOYSA-N 1 2 332.404 0.569 20 30 ECEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000275582961 436987019 /nfs/dbraw/zinc/98/70/19/436987019.db2.gz PZPJUVUQCNLWFG-HOCLYGCPSA-N 1 2 331.372 0.885 20 30 ECEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000275582961 436987020 /nfs/dbraw/zinc/98/70/20/436987020.db2.gz PZPJUVUQCNLWFG-HOCLYGCPSA-N 1 2 331.372 0.885 20 30 ECEDLO Cc1nc(N2CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC2)cc[nH+]1 ZINC000282476390 437013514 /nfs/dbraw/zinc/01/35/14/437013514.db2.gz XETARWSHDWRFTP-GFCCVEGCSA-N 1 2 338.437 0.243 20 30 ECEDLO C=C(C)CN(CC)C(=O)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000284295639 437053602 /nfs/dbraw/zinc/05/36/02/437053602.db2.gz SYBHPCFNUHADDL-UHFFFAOYSA-N 1 2 346.431 0.959 20 30 ECEDLO NC(=[NH+]OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCO1 ZINC000284375973 437053936 /nfs/dbraw/zinc/05/39/36/437053936.db2.gz LSNDGBKXEVWVEF-CYBMUJFWSA-N 1 2 334.332 0.952 20 30 ECEDLO N#C[C@H]1CN(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CCO1 ZINC000331435523 437095773 /nfs/dbraw/zinc/09/57/73/437095773.db2.gz BCCLDDMVVWIBIO-AWEZNQCLSA-N 1 2 331.376 0.352 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c1 ZINC000325831399 437232313 /nfs/dbraw/zinc/23/23/13/437232313.db2.gz VDKAPSXPUBVCGB-GDBMZVCRSA-N 1 2 347.440 0.932 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c1 ZINC000325831399 437232314 /nfs/dbraw/zinc/23/23/14/437232314.db2.gz VDKAPSXPUBVCGB-GDBMZVCRSA-N 1 2 347.440 0.932 20 30 ECEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@H](S(N)(=O)=O)C1)CCC2 ZINC000328642115 437243276 /nfs/dbraw/zinc/24/32/76/437243276.db2.gz FVOLWSSKCDWLOO-RYUDHWBXSA-N 1 2 341.437 0.346 20 30 ECEDLO C[C@@H]1CN(C(=O)Nc2ccn(CCC#N)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000333109000 437258538 /nfs/dbraw/zinc/25/85/38/437258538.db2.gz FCHLZUFFVDSTRR-KGLIPLIRSA-N 1 2 332.408 0.981 20 30 ECEDLO N#Cc1ccc(-c2nc(CC(=O)NCC[NH+]3CCOCC3)no2)cc1 ZINC000277908511 437263273 /nfs/dbraw/zinc/26/32/73/437263273.db2.gz PEORRWZVTJANRY-UHFFFAOYSA-N 1 2 341.371 0.599 20 30 ECEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccnn1C ZINC000328800607 437264340 /nfs/dbraw/zinc/26/43/40/437264340.db2.gz INGOXZNNCHYGRK-IOASZLSFSA-N 1 2 349.435 0.617 20 30 ECEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccnn1C ZINC000328800607 437264343 /nfs/dbraw/zinc/26/43/43/437264343.db2.gz INGOXZNNCHYGRK-IOASZLSFSA-N 1 2 349.435 0.617 20 30 ECEDLO CC(C)C(=O)N1CCC(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000329114083 437320335 /nfs/dbraw/zinc/32/03/35/437320335.db2.gz SEISTDIMEWXMPY-CQSZACIVSA-N 1 2 326.441 0.468 20 30 ECEDLO CC(C)C(=O)N1CCC(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000329114083 437320338 /nfs/dbraw/zinc/32/03/38/437320338.db2.gz SEISTDIMEWXMPY-CQSZACIVSA-N 1 2 326.441 0.468 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CCN(Cc3c[nH+]c[nH]3)CC2)cc1 ZINC000179759112 437273319 /nfs/dbraw/zinc/27/33/19/437273319.db2.gz JFOLUYVUCSZOGL-UHFFFAOYSA-N 1 2 331.401 0.788 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CCN(Cc3c[nH]c[nH+]3)CC2)cc1 ZINC000179759112 437273324 /nfs/dbraw/zinc/27/33/24/437273324.db2.gz JFOLUYVUCSZOGL-UHFFFAOYSA-N 1 2 331.401 0.788 20 30 ECEDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC000266985502 437274233 /nfs/dbraw/zinc/27/42/33/437274233.db2.gz RYAVBMMRDCGZMJ-UHFFFAOYSA-N 1 2 347.400 0.840 20 30 ECEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)C1 ZINC000329125603 437322081 /nfs/dbraw/zinc/32/20/81/437322081.db2.gz MJDUVKCRZPBRMM-LXTVHRRPSA-N 1 2 327.425 0.093 20 30 ECEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)C1 ZINC000329125603 437322086 /nfs/dbraw/zinc/32/20/86/437322086.db2.gz MJDUVKCRZPBRMM-LXTVHRRPSA-N 1 2 327.425 0.093 20 30 ECEDLO C#CCSCCNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000267135602 437295113 /nfs/dbraw/zinc/29/51/13/437295113.db2.gz KJROTFUCMVHLOS-UHFFFAOYSA-N 1 2 337.449 0.703 20 30 ECEDLO CO[C@H]1C[C@@H](CO)[N@H+](CC(=O)N[C@H](C)C(=O)N2CCCCC2)C1 ZINC000328986502 437299205 /nfs/dbraw/zinc/29/92/05/437299205.db2.gz ZZUCEHQWRBWDSE-RDBSUJKOSA-N 1 2 327.425 0.426 20 30 ECEDLO CO[C@H]1C[C@@H](CO)[N@@H+](CC(=O)N[C@H](C)C(=O)N2CCCCC2)C1 ZINC000328986502 437299209 /nfs/dbraw/zinc/29/92/09/437299209.db2.gz ZZUCEHQWRBWDSE-RDBSUJKOSA-N 1 2 327.425 0.426 20 30 ECEDLO C=CCN1CC[C@H](N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)C1=O ZINC000337199114 437340486 /nfs/dbraw/zinc/34/04/86/437340486.db2.gz YNEOARVFQLZXKE-CVEARBPZSA-N 1 2 334.464 0.402 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCN([C@H](C)C(=O)N3CCCC3)CC2)C1=O ZINC000337199114 437340491 /nfs/dbraw/zinc/34/04/91/437340491.db2.gz YNEOARVFQLZXKE-CVEARBPZSA-N 1 2 334.464 0.402 20 30 ECEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329272552 437343597 /nfs/dbraw/zinc/34/35/97/437343597.db2.gz JRVKBSLVGDFWLJ-BZUAXINKSA-N 1 2 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ZINC000330236645 437473285 /nfs/dbraw/zinc/47/32/85/437473285.db2.gz ZIWUXIDNUBEFNE-GHMZBOCLSA-N 1 2 341.437 0.147 20 30 ECEDLO CN(C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000330236645 437473287 /nfs/dbraw/zinc/47/32/87/437473287.db2.gz ZIWUXIDNUBEFNE-GHMZBOCLSA-N 1 2 341.437 0.147 20 30 ECEDLO COc1cccc(C(N)=[NH+]OCC(=O)N2CCC[C@@H](NC(C)=O)C2)c1 ZINC000268606159 437433922 /nfs/dbraw/zinc/43/39/22/437433922.db2.gz UNUIOGKNDABAAS-CQSZACIVSA-N 1 2 348.403 0.459 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@H]1CNS(C)(=O)=O ZINC000339070623 437439729 /nfs/dbraw/zinc/43/97/29/437439729.db2.gz CDEUBUDUQVSJQU-KGLIPLIRSA-N 1 2 344.481 0.398 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCC[C@H]1CNS(C)(=O)=O ZINC000339070623 437439732 /nfs/dbraw/zinc/43/97/32/437439732.db2.gz CDEUBUDUQVSJQU-KGLIPLIRSA-N 1 2 344.481 0.398 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000339151185 437444266 /nfs/dbraw/zinc/44/42/66/437444266.db2.gz 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/nfs/dbraw/zinc/49/61/14/437496114.db2.gz VCZLKRBJCZVKCG-ZIAGYGMSSA-N 1 2 332.470 0.269 20 30 ECEDLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)C1 ZINC000330380681 437496117 /nfs/dbraw/zinc/49/61/17/437496117.db2.gz VCZLKRBJCZVKCG-ZIAGYGMSSA-N 1 2 332.470 0.269 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000330383879 437498337 /nfs/dbraw/zinc/49/83/37/437498337.db2.gz KDRPDKWTAGEEJY-CYBMUJFWSA-N 1 2 332.470 0.413 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000330383879 437498341 /nfs/dbraw/zinc/49/83/41/437498341.db2.gz KDRPDKWTAGEEJY-CYBMUJFWSA-N 1 2 332.470 0.413 20 30 ECEDLO CC(C)[C@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)[NH+]1CCN(C)CC1 ZINC000330393643 437499888 /nfs/dbraw/zinc/49/98/88/437499888.db2.gz QOGUPAPTWLDSFV-GJZGRUSLSA-N 1 2 345.513 0.184 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330408137 437503555 /nfs/dbraw/zinc/50/35/55/437503555.db2.gz XKTKUHXPISQWNN-ZDUSSCGKSA-N 1 2 340.453 0.254 20 30 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/nfs/dbraw/zinc/72/77/95/437727795.db2.gz YUCSXMANIKVMRG-JHJVBQTASA-N 1 2 328.413 0.636 20 30 ECEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)c3ccc(C#N)o3)ccn2)CC1 ZINC000345455421 437789770 /nfs/dbraw/zinc/78/97/70/437789770.db2.gz PKKGXODCYZDWNI-UHFFFAOYSA-N 1 2 339.355 0.608 20 30 ECEDLO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000363494264 437795608 /nfs/dbraw/zinc/79/56/08/437795608.db2.gz AKHCXTZZLYDQQF-GJZGRUSLSA-N 1 2 348.428 0.287 20 30 ECEDLO CNS(=O)(=O)[C@H]1CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000363494264 437795609 /nfs/dbraw/zinc/79/56/09/437795609.db2.gz AKHCXTZZLYDQQF-GJZGRUSLSA-N 1 2 348.428 0.287 20 30 ECEDLO C[C@@H](OC[C@H]1CCCO1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000346498037 437810641 /nfs/dbraw/zinc/81/06/41/437810641.db2.gz CEYQRLNYGOPDIU-HZPDHXFCSA-N 1 2 339.436 0.645 20 30 ECEDLO C=C[C@@H](CO)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000356877845 437852968 /nfs/dbraw/zinc/85/29/68/437852968.db2.gz VUORPONJBGADHF-ZFWWWQNUSA-N 1 2 334.420 0.680 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/nfs/dbraw/zinc/92/96/83/437929683.db2.gz SLOMAHQDTPGRIH-UHFFFAOYSA-N 1 2 334.420 0.232 20 30 ECEDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CC[N@H+](C)C1 ZINC000416586223 437966151 /nfs/dbraw/zinc/96/61/51/437966151.db2.gz OPCKLJDSMVKMHN-ZDUSSCGKSA-N 1 2 337.401 0.284 20 30 ECEDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CC[N@@H+](C)C1 ZINC000416586223 437966158 /nfs/dbraw/zinc/96/61/58/437966158.db2.gz OPCKLJDSMVKMHN-ZDUSSCGKSA-N 1 2 337.401 0.284 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)Cc1cccc(C#N)c1 ZINC000416664327 437983852 /nfs/dbraw/zinc/98/38/52/437983852.db2.gz MWNSAGGISPAWOJ-ZIAGYGMSSA-N 1 2 337.445 0.775 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)Cc1cccc(C#N)c1 ZINC000416664327 437983857 /nfs/dbraw/zinc/98/38/57/437983857.db2.gz MWNSAGGISPAWOJ-ZIAGYGMSSA-N 1 2 337.445 0.775 20 30 ECEDLO C=CC[N@@H+](CC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000357549768 438009409 /nfs/dbraw/zinc/00/94/09/438009409.db2.gz FDWPZOYKCROUAX-AWEZNQCLSA-N 1 2 330.450 0.299 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ECEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000358399199 438217880 /nfs/dbraw/zinc/21/78/80/438217880.db2.gz MDQMXBAKKBWRGK-CQSZACIVSA-N 1 2 329.335 1.152 20 30 ECEDLO C[N@@H+]1CCN(C2CCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)C(=O)C1 ZINC000374801899 438229909 /nfs/dbraw/zinc/22/99/09/438229909.db2.gz UFBHIZKWASKGFI-UHFFFAOYSA-N 1 2 344.375 0.604 20 30 ECEDLO C[N@H+]1CCN(C2CCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)C(=O)C1 ZINC000374801899 438229912 /nfs/dbraw/zinc/22/99/12/438229912.db2.gz UFBHIZKWASKGFI-UHFFFAOYSA-N 1 2 344.375 0.604 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)CC2(C#N)CCCC2)[C@H](C)C1 ZINC000433366570 438242421 /nfs/dbraw/zinc/24/24/21/438242421.db2.gz RRMRFQWSNGBPLS-ZIAGYGMSSA-N 1 2 329.466 0.787 20 30 ECEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)CC2(C#N)CCCC2)[C@H](C)C1 ZINC000433366570 438242423 /nfs/dbraw/zinc/24/24/23/438242423.db2.gz RRMRFQWSNGBPLS-ZIAGYGMSSA-N 1 2 329.466 0.787 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cc[nH+]cc1O ZINC000358343821 438205368 /nfs/dbraw/zinc/20/53/68/438205368.db2.gz WCBFADMIYVYGTI-SNVBAGLBSA-N 1 2 346.368 0.386 20 30 ECEDLO C=CC[C@H](CO)NC(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000368286653 438308264 /nfs/dbraw/zinc/30/82/64/438308264.db2.gz VTOQNUYHWKAFDE-GDBMZVCRSA-N 1 2 327.425 0.104 20 30 ECEDLO C=CC[C@@H](CO)NC(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000368286654 438308435 /nfs/dbraw/zinc/30/84/35/438308435.db2.gz VTOQNUYHWKAFDE-GOEBONIOSA-N 1 2 327.425 0.104 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H]1C(=O)NCC(=O)OC ZINC000419341675 438352464 /nfs/dbraw/zinc/35/24/64/438352464.db2.gz AUBNEMCMDIWGGD-CYBMUJFWSA-N 1 2 325.409 0.165 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1C(=O)NCC(=O)OC ZINC000419341675 438352469 /nfs/dbraw/zinc/35/24/69/438352469.db2.gz AUBNEMCMDIWGGD-CYBMUJFWSA-N 1 2 325.409 0.165 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(N2C(=O)CCCC2=O)CC1 ZINC000368799577 438380321 /nfs/dbraw/zinc/38/03/21/438380321.db2.gz JOFHEHIRAKVQLN-UHFFFAOYSA-N 1 2 336.392 0.002 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000368873994 438394806 /nfs/dbraw/zinc/39/48/06/438394806.db2.gz BPZPLBNNZYYZBI-CYBMUJFWSA-N 1 2 347.419 0.563 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000368873994 438394811 /nfs/dbraw/zinc/39/48/11/438394811.db2.gz BPZPLBNNZYYZBI-CYBMUJFWSA-N 1 2 347.419 0.563 20 30 ECEDLO C[C@H](O)CNc1[nH+]c2ccccc2n1CC(=O)NC1(C#N)CCC1 ZINC000438919817 438491459 /nfs/dbraw/zinc/49/14/59/438491459.db2.gz OJZHEZFSRPNCQX-LBPRGKRZSA-N 1 2 327.388 1.391 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000353213009 438503020 /nfs/dbraw/zinc/50/30/20/438503020.db2.gz ZMMOFJNDQVKOCJ-HOTGVXAUSA-N 1 2 326.437 0.917 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000408092145 438510091 /nfs/dbraw/zinc/51/00/91/438510091.db2.gz XONFUTPLUNPJSP-ZFWWWQNUSA-N 1 2 344.481 0.397 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000408092145 438510092 /nfs/dbraw/zinc/51/00/92/438510092.db2.gz XONFUTPLUNPJSP-ZFWWWQNUSA-N 1 2 344.481 0.397 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)CC(C)(C)CC#N)C[C@@H]1[NH+]1CCOCC1 ZINC000408459305 438575723 /nfs/dbraw/zinc/57/57/23/438575723.db2.gz ICEOOKZWNRVEFG-KGLIPLIRSA-N 1 2 329.466 0.909 20 30 ECEDLO C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000410482247 438590061 /nfs/dbraw/zinc/59/00/61/438590061.db2.gz IANUPBNAGKCSEP-LSDHHAIUSA-N 1 2 336.436 0.318 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(OC)cn2)CC1 ZINC000452060482 438632703 /nfs/dbraw/zinc/63/27/03/438632703.db2.gz RKLRTIGUOFWQBY-ZDUSSCGKSA-N 1 2 347.419 0.613 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(C2CC2)nn1 ZINC000448148859 438681718 /nfs/dbraw/zinc/68/17/18/438681718.db2.gz VRTLYAPCLGGIIE-UHFFFAOYSA-N 1 2 344.419 1.434 20 30 ECEDLO CCOC(=O)[C@H](CC)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000412137446 438685282 /nfs/dbraw/zinc/68/52/82/438685282.db2.gz WSKXOVTVHJLUSD-CQSZACIVSA-N 1 2 325.409 0.650 20 30 ECEDLO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)C[C@H]1C ZINC000453647327 438686610 /nfs/dbraw/zinc/68/66/10/438686610.db2.gz RLTUPOQXPRHFPB-CQSZACIVSA-N 1 2 344.415 0.870 20 30 ECEDLO COCC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)C[C@H]1C ZINC000453647327 438686613 /nfs/dbraw/zinc/68/66/13/438686613.db2.gz RLTUPOQXPRHFPB-CQSZACIVSA-N 1 2 344.415 0.870 20 30 ECEDLO CN(Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@@H](O)C[NH+]1CCOCC1 ZINC000575409706 438748824 /nfs/dbraw/zinc/74/88/24/438748824.db2.gz WJUBNRAHEHTCRW-OAHLLOKOSA-N 1 2 334.376 0.591 20 30 ECEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CC(=O)N2CCCCC2)c1=O ZINC000575844949 438757486 /nfs/dbraw/zinc/75/74/86/438757486.db2.gz VAKHAGSLUZFXJZ-UHFFFAOYSA-N 1 2 344.415 0.565 20 30 ECEDLO Cc1ccc(-c2nnn(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)n2)cc1 ZINC000576230511 438773660 /nfs/dbraw/zinc/77/36/60/438773660.db2.gz DNYBQKVBOGKANA-INIZCTEOSA-N 1 2 327.392 0.609 20 30 ECEDLO Cc1ncc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)cn1 ZINC000577124965 438815889 /nfs/dbraw/zinc/81/58/89/438815889.db2.gz LAPTYEXOFKPXHI-UHFFFAOYSA-N 1 2 325.372 0.699 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)N2CC[C@](C)(C#N)C2)C1=O ZINC000595580331 438828693 /nfs/dbraw/zinc/82/86/93/438828693.db2.gz PBPZJNWTQWSYAI-SUMWQHHRSA-N 1 2 344.419 0.856 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000601453356 438900414 /nfs/dbraw/zinc/90/04/14/438900414.db2.gz SAFGGTVYRZUPEY-KBPBESRZSA-N 1 2 344.481 0.556 20 30 ECEDLO CCS(=O)(=O)c1ccc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000565050510 438908536 /nfs/dbraw/zinc/90/85/36/438908536.db2.gz DODLUZLZCUPNEM-INIZCTEOSA-N 1 2 337.445 0.983 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)CC2(C#N)CC2)CC1 ZINC000590219145 438904714 /nfs/dbraw/zinc/90/47/14/438904714.db2.gz KMJWOJBLJXKUFS-CQSZACIVSA-N 1 2 336.436 0.366 20 30 ECEDLO N#Cc1cccc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000589333082 438869348 /nfs/dbraw/zinc/86/93/48/438869348.db2.gz SNAVUHUQYGDDSN-MRXNPFEDSA-N 1 2 332.429 0.891 20 30 ECEDLO N#Cc1cccc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000589333078 438869582 /nfs/dbraw/zinc/86/95/82/438869582.db2.gz SNAVUHUQYGDDSN-INIZCTEOSA-N 1 2 332.429 0.891 20 30 ECEDLO N#CCc1ccccc1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000601389546 438872100 /nfs/dbraw/zinc/87/21/00/438872100.db2.gz ATBYLSBDRCGQDZ-CVEARBPZSA-N 1 2 349.456 0.972 20 30 ECEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@H](N3CCNC3=O)C2)cc1 ZINC000578544417 438934081 /nfs/dbraw/zinc/93/40/81/438934081.db2.gz GEAXBRKCNQOFDS-GJZGRUSLSA-N 1 2 327.388 0.574 20 30 ECEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@H](N3CCNC3=O)C2)cc1 ZINC000578544417 438934085 /nfs/dbraw/zinc/93/40/85/438934085.db2.gz GEAXBRKCNQOFDS-GJZGRUSLSA-N 1 2 327.388 0.574 20 30 ECEDLO C[C@H]1NC(=O)N(CC[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)C1=O ZINC000459374281 438963114 /nfs/dbraw/zinc/96/31/14/438963114.db2.gz JEOWGDCVZIWZCK-ZBFHGGJFSA-N 1 2 341.415 0.809 20 30 ECEDLO N#Cc1cnnc(NC[C@]2(CO)COCC[N@@H+]2Cc2ccccc2)c1 ZINC000596514263 438971673 /nfs/dbraw/zinc/97/16/73/438971673.db2.gz DYMXKUYOSMJTKF-SFHVURJKSA-N 1 2 339.399 1.024 20 30 ECEDLO N#Cc1cnnc(NC[C@]2(CO)COCC[N@H+]2Cc2ccccc2)c1 ZINC000596514263 438971677 /nfs/dbraw/zinc/97/16/77/438971677.db2.gz DYMXKUYOSMJTKF-SFHVURJKSA-N 1 2 339.399 1.024 20 30 ECEDLO COCCN1CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)CC1=O ZINC000579354856 439002107 /nfs/dbraw/zinc/00/21/07/439002107.db2.gz PJOMINITZKKDBQ-UHFFFAOYSA-N 1 2 328.376 0.282 20 30 ECEDLO COCCN1CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)CC1=O ZINC000579354856 439002112 /nfs/dbraw/zinc/00/21/12/439002112.db2.gz PJOMINITZKKDBQ-UHFFFAOYSA-N 1 2 328.376 0.282 20 30 ECEDLO CCCn1ncnc1Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000566497977 439064333 /nfs/dbraw/zinc/06/43/33/439064333.db2.gz QJCRVCLTFRQIPK-UHFFFAOYSA-N 1 2 342.403 0.602 20 30 ECEDLO CN(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)S(=O)(=O)c1ccccc1 ZINC000566848542 439092355 /nfs/dbraw/zinc/09/23/55/439092355.db2.gz QSLLLROUYDZYDP-HNNXBMFYSA-N 1 2 338.433 0.267 20 30 ECEDLO C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[NH+]1CCC(CCC#N)CC1 ZINC000521431368 439118412 /nfs/dbraw/zinc/11/84/12/439118412.db2.gz RTORTWYESTXBJH-GXTWGEPZSA-N 1 2 327.450 0.694 20 30 ECEDLO CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000597450559 439100751 /nfs/dbraw/zinc/10/07/51/439100751.db2.gz HGUAMLRUBLUXIZ-LLVKDONJSA-N 1 2 327.392 0.714 20 30 ECEDLO CC[C@@](C)(C#N)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000521115796 439107389 /nfs/dbraw/zinc/10/73/89/439107389.db2.gz FZCXYXCBIBBDGH-YOEHRIQHSA-N 1 2 336.436 0.508 20 30 ECEDLO CC[C@H](C)[C@H](NC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1)C(=O)OC ZINC000602856715 439145217 /nfs/dbraw/zinc/14/52/17/439145217.db2.gz MMFYXUUPYLPSME-NHIYQJMISA-N 1 2 338.452 0.608 20 30 ECEDLO Cn1c(C#N)ccc1C(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000597640256 439146477 /nfs/dbraw/zinc/14/64/77/439146477.db2.gz JLSKFBWFVVUHER-LBPRGKRZSA-N 1 2 328.376 0.922 20 30 ECEDLO Cn1c(C#N)ccc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000597640256 439146482 /nfs/dbraw/zinc/14/64/82/439146482.db2.gz JLSKFBWFVVUHER-LBPRGKRZSA-N 1 2 328.376 0.922 20 30 ECEDLO C[C@H](CC#N)[NH2+]CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000602862840 439148436 /nfs/dbraw/zinc/14/84/36/439148436.db2.gz KDJQSKWQJHVWBT-TZMCWYRMSA-N 1 2 327.450 0.836 20 30 ECEDLO CN(C)C(=O)c1ccc(OC2CC[NH+](CC(=O)NCC#N)CC2)nc1 ZINC000602889467 439153793 /nfs/dbraw/zinc/15/37/93/439153793.db2.gz JADISIWXGYKHSH-UHFFFAOYSA-N 1 2 345.403 0.266 20 30 ECEDLO COC(=O)[C@]1(C)C[C@H](OC)C[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC000602938216 439164038 /nfs/dbraw/zinc/16/40/38/439164038.db2.gz WWTIFYWLMPAANU-MPGHIAIKSA-N 1 2 348.399 0.950 20 30 ECEDLO COC(=O)[C@]1(C)C[C@H](OC)C[N@H+]1C[C@H](O)COc1ccccc1C#N ZINC000602938216 439164042 /nfs/dbraw/zinc/16/40/42/439164042.db2.gz WWTIFYWLMPAANU-MPGHIAIKSA-N 1 2 348.399 0.950 20 30 ECEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)NCCCN2CCCCCC2=O)C1 ZINC000592147471 439164820 /nfs/dbraw/zinc/16/48/20/439164820.db2.gz OVRIHXGXZGPDSL-KRWDZBQOSA-N 1 2 336.436 0.246 20 30 ECEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)NCCCN2CCCCCC2=O)C1 ZINC000592147471 439164822 /nfs/dbraw/zinc/16/48/22/439164822.db2.gz OVRIHXGXZGPDSL-KRWDZBQOSA-N 1 2 336.436 0.246 20 30 ECEDLO COC(=O)[C@]1(C)C[C@@H](OC)C[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC000602938215 439165579 /nfs/dbraw/zinc/16/55/79/439165579.db2.gz WWTIFYWLMPAANU-DAYGRLMNSA-N 1 2 348.399 0.950 20 30 ECEDLO COC(=O)[C@]1(C)C[C@@H](OC)C[N@H+]1C[C@H](O)COc1ccccc1C#N ZINC000602938215 439165584 /nfs/dbraw/zinc/16/55/84/439165584.db2.gz WWTIFYWLMPAANU-DAYGRLMNSA-N 1 2 348.399 0.950 20 30 ECEDLO COC(=O)c1cccc(C[N@H+]2C[C@@H](O)C[C@H](C(=O)OC)C2)c1C#N ZINC000592200253 439181667 /nfs/dbraw/zinc/18/16/67/439181667.db2.gz VIPQLAOXPWJBRY-STQMWFEESA-N 1 2 332.356 0.701 20 30 ECEDLO COC(=O)c1cccc(C[N@@H+]2C[C@@H](O)C[C@H](C(=O)OC)C2)c1C#N ZINC000592200253 439181669 /nfs/dbraw/zinc/18/16/69/439181669.db2.gz VIPQLAOXPWJBRY-STQMWFEESA-N 1 2 332.356 0.701 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000567995625 439201505 /nfs/dbraw/zinc/20/15/05/439201505.db2.gz QJLVGMACHULCAU-KBXCAEBGSA-N 1 2 342.399 0.465 20 30 ECEDLO N#CC1(NC(=O)Cn2cc(CC[NH+]3CCOCC3)nn2)CCCCC1 ZINC000603174950 439202485 /nfs/dbraw/zinc/20/24/85/439202485.db2.gz IZBQRRAGYUKENL-UHFFFAOYSA-N 1 2 346.435 0.495 20 30 ECEDLO C[C@](C#N)(NC(=O)Cn1cc(C[NH+]2CCSCC2)nn1)C1CC1 ZINC000603177454 439203655 /nfs/dbraw/zinc/20/36/55/439203655.db2.gz ASNRRCHQTUMGKG-OAHLLOKOSA-N 1 2 334.449 0.635 20 30 ECEDLO C#CCN(C(=O)NCCCCn1cc[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC000490914989 439312392 /nfs/dbraw/zinc/31/23/92/439312392.db2.gz KOGLLFNQQULWPM-AWEZNQCLSA-N 1 2 338.433 0.495 20 30 ECEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)CC1 ZINC000490719376 439291051 /nfs/dbraw/zinc/29/10/51/439291051.db2.gz MEKGBXKSCTWPRO-UHFFFAOYSA-N 1 2 343.343 0.620 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@H](OC)Cc3ccccc32)CC1 ZINC000491147269 439338160 /nfs/dbraw/zinc/33/81/60/439338160.db2.gz QUZRPGUNBHMQFM-QGZVFWFLSA-N 1 2 327.428 0.842 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CONC(=O)C(C)(C)c2ccccc2)CC1 ZINC000490762884 439295901 /nfs/dbraw/zinc/29/59/01/439295901.db2.gz NDCNGLWHVAGTDC-UHFFFAOYSA-N 1 2 343.427 0.789 20 30 ECEDLO C#CCN1CCN(C(=O)CO[NH+]=C(N)c2ccc(F)c(C)c2)CC1 ZINC000490780824 439297239 /nfs/dbraw/zinc/29/72/39/439297239.db2.gz RVDYWGNWUOCORF-UHFFFAOYSA-N 1 2 332.379 0.548 20 30 ECEDLO C#CCNC(=O)[C@@H](C)ON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000490778909 439298700 /nfs/dbraw/zinc/29/87/00/439298700.db2.gz OLHKSYORLARABA-CQSZACIVSA-N 1 2 344.415 0.294 20 30 ECEDLO C[N@@H+]1CCC[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC000604199209 439302757 /nfs/dbraw/zinc/30/27/57/439302757.db2.gz OTMVNXNVEKMIOM-HNNXBMFYSA-N 1 2 335.429 0.683 20 30 ECEDLO C[N@H+]1CCC[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC000604199209 439302762 /nfs/dbraw/zinc/30/27/62/439302762.db2.gz OTMVNXNVEKMIOM-HNNXBMFYSA-N 1 2 335.429 0.683 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCN(C(=O)c3cnn(C)c3)[C@@H](C)C2)C1=O ZINC000582222781 439303803 /nfs/dbraw/zinc/30/38/03/439303803.db2.gz WTFZRVHNEXASSP-DZGCQCFKSA-N 1 2 331.420 0.353 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(C(=O)c3cnn(C)c3)[C@@H](C)C2)C1=O ZINC000582222781 439303806 /nfs/dbraw/zinc/30/38/06/439303806.db2.gz WTFZRVHNEXASSP-DZGCQCFKSA-N 1 2 331.420 0.353 20 30 ECEDLO CCOC[C@H]1CN(CC#CC[N@@H+]2CCO[C@H](COCC)C2)CCO1 ZINC000528725850 439362327 /nfs/dbraw/zinc/36/23/27/439362327.db2.gz VGLGVXCXBFBAES-HDICACEKSA-N 1 2 340.464 0.464 20 30 ECEDLO CCOC[C@H]1CN(CC#CC[N@H+]2CCO[C@H](COCC)C2)CCO1 ZINC000528725850 439362332 /nfs/dbraw/zinc/36/23/32/439362332.db2.gz VGLGVXCXBFBAES-HDICACEKSA-N 1 2 340.464 0.464 20 30 ECEDLO CCOC[C@H]1C[N@H+](CC#CCN2CCO[C@H](COCC)C2)CCO1 ZINC000528725850 439362336 /nfs/dbraw/zinc/36/23/36/439362336.db2.gz VGLGVXCXBFBAES-HDICACEKSA-N 1 2 340.464 0.464 20 30 ECEDLO CCOC[C@H]1C[N@@H+](CC#CCN2CCO[C@H](COCC)C2)CCO1 ZINC000528725850 439362339 /nfs/dbraw/zinc/36/23/39/439362339.db2.gz VGLGVXCXBFBAES-HDICACEKSA-N 1 2 340.464 0.464 20 30 ECEDLO C#CCn1ccc(C[N@H+](CC)C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000491285820 439363621 /nfs/dbraw/zinc/36/36/21/439363621.db2.gz FQQNYPYGLUWTNX-JZXOWHBKSA-N 1 2 334.464 0.808 20 30 ECEDLO C#CCn1ccc(C[N@@H+](CC)C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000491285820 439363627 /nfs/dbraw/zinc/36/36/27/439363627.db2.gz FQQNYPYGLUWTNX-JZXOWHBKSA-N 1 2 334.464 0.808 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CC(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000491164994 439342048 /nfs/dbraw/zinc/34/20/48/439342048.db2.gz HKSKEECTPYXTEX-HOTGVXAUSA-N 1 2 334.464 0.143 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528780780 439368708 /nfs/dbraw/zinc/36/87/08/439368708.db2.gz LFPFCNWUBWQIDU-XQQFMLRXSA-N 1 2 325.434 0.589 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528780780 439368712 /nfs/dbraw/zinc/36/87/12/439368712.db2.gz LFPFCNWUBWQIDU-XQQFMLRXSA-N 1 2 325.434 0.589 20 30 ECEDLO N#Cc1sccc1S(=O)(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000593557932 439404563 /nfs/dbraw/zinc/40/45/63/439404563.db2.gz GRCODIZISCGVPF-LBPRGKRZSA-N 1 2 341.458 0.963 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2ccc3c(OC)cccc3c2=O)CC1 ZINC000491555501 439406373 /nfs/dbraw/zinc/40/63/73/439406373.db2.gz RMVVIOHHDJEEAY-UHFFFAOYSA-N 1 2 339.395 0.788 20 30 ECEDLO C#CCn1ccc(CN(CC)CC(=O)N2CC[NH+](CC#C)CC2)n1 ZINC000491615521 439413012 /nfs/dbraw/zinc/41/30/12/439413012.db2.gz DUHXZLCHMPSMRP-UHFFFAOYSA-N 1 2 327.432 0.116 20 30 ECEDLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccsc1C#N ZINC000593610229 439420933 /nfs/dbraw/zinc/42/09/33/439420933.db2.gz WHTXQSGRWDBPPW-QWRGUYRKSA-N 1 2 329.447 0.695 20 30 ECEDLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1ccsc1C#N ZINC000593610229 439420938 /nfs/dbraw/zinc/42/09/38/439420938.db2.gz WHTXQSGRWDBPPW-QWRGUYRKSA-N 1 2 329.447 0.695 20 30 ECEDLO C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1)C(C)C ZINC000491660928 439421935 /nfs/dbraw/zinc/42/19/35/439421935.db2.gz PCVKIZIJFXSDFO-NSHDSACASA-N 1 2 348.450 0.119 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc3c(c2)CCNC3=O)CC1 ZINC000491666225 439424074 /nfs/dbraw/zinc/42/40/74/439424074.db2.gz TWLFLVDKDXSLQC-UHFFFAOYSA-N 1 2 327.384 0.129 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000491751045 439441977 /nfs/dbraw/zinc/44/19/77/439441977.db2.gz JLKONQGMIVDGOM-CQSZACIVSA-N 1 2 338.452 0.267 20 30 ECEDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1cccc(C#N)n1)C2 ZINC000593701472 439448496 /nfs/dbraw/zinc/44/84/96/439448496.db2.gz VCNCLVOWQMJFGN-LBPRGKRZSA-N 1 2 325.372 0.738 20 30 ECEDLO C#C[C@H]1COCCN1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000491787053 439452391 /nfs/dbraw/zinc/45/23/91/439452391.db2.gz XFDMBUVXIYFZJK-GOEBONIOSA-N 1 2 339.461 0.238 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000599500319 439493171 /nfs/dbraw/zinc/49/31/71/439493171.db2.gz SJJPXTVGROVGID-UHFFFAOYSA-N 1 2 330.454 0.263 20 30 ECEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](n3cc(C(=O)OC)nn3)C2)nn1 ZINC000593970365 439502244 /nfs/dbraw/zinc/50/22/44/439502244.db2.gz TVWQCICVCMMGPZ-CYBMUJFWSA-N 1 2 331.380 0.679 20 30 ECEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](n3cc(C(=O)OC)nn3)C2)nn1 ZINC000593970365 439502248 /nfs/dbraw/zinc/50/22/48/439502248.db2.gz TVWQCICVCMMGPZ-CYBMUJFWSA-N 1 2 331.380 0.679 20 30 ECEDLO C=CCc1ccc(OC[C@H](O)C[NH2+]Cc2nnn(C)n2)c(OC)c1 ZINC000571434148 439502718 /nfs/dbraw/zinc/50/27/18/439502718.db2.gz WGYFYCPWVPFZQI-CYBMUJFWSA-N 1 2 333.392 0.477 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2nc3c(cc2=O)Cc2ccccc2-3)CC1 ZINC000491810737 439456270 /nfs/dbraw/zinc/45/62/70/439456270.db2.gz AAWIFAAFIDNWRB-UHFFFAOYSA-N 1 2 348.406 0.592 20 30 ECEDLO Cc1nnc([C@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)o1 ZINC000542617109 439557005 /nfs/dbraw/zinc/55/70/05/439557005.db2.gz PUKLEWIHPSTKMG-JSGCOSHPSA-N 1 2 334.424 0.721 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)NC[C@H](C)C#N)CC1 ZINC000542877662 439558904 /nfs/dbraw/zinc/55/89/04/439558904.db2.gz PJDFZEAKXMGLHG-ZIAGYGMSSA-N 1 2 339.440 0.014 20 30 ECEDLO CC1CC(C#N)(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000531815852 439512854 /nfs/dbraw/zinc/51/28/54/439512854.db2.gz QEYDRQFVZSQHLB-UHFFFAOYSA-N 1 2 339.403 0.952 20 30 ECEDLO CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCN([C@H](C#N)C(C)C)CC2)CC1 ZINC000609485077 439570944 /nfs/dbraw/zinc/57/09/44/439570944.db2.gz IMLSAHYRYVIBCN-DOTOQJQBSA-N 1 2 349.479 0.231 20 30 ECEDLO CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000609539302 439574551 /nfs/dbraw/zinc/57/45/51/439574551.db2.gz XGHAEMCCJQQDCO-DLBZAZTESA-N 1 2 349.479 0.279 20 30 ECEDLO C[N@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@](C)(c2nccs2)C1=O ZINC000594716290 439594825 /nfs/dbraw/zinc/59/48/25/439594825.db2.gz OHJLTMCLRVYIEG-IINYFYTJSA-N 1 2 337.405 0.116 20 30 ECEDLO C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@](C)(c2nccs2)C1=O ZINC000594716290 439594831 /nfs/dbraw/zinc/59/48/31/439594831.db2.gz OHJLTMCLRVYIEG-IINYFYTJSA-N 1 2 337.405 0.116 20 30 ECEDLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1F ZINC000610085734 439598177 /nfs/dbraw/zinc/59/81/77/439598177.db2.gz KXICVFACMDTKKB-GFCCVEGCSA-N 1 2 326.397 0.221 20 30 ECEDLO CCN1C(=O)CO[C@H](C(=O)N2CC[C@@](C)(C#N)C2)[C@H]1c1[nH+]ccn1C ZINC000600107940 439613588 /nfs/dbraw/zinc/61/35/88/439613588.db2.gz SHOOTUQGUNGZIR-ZQIUZPCESA-N 1 2 345.403 0.471 20 30 ECEDLO N#Cc1cc(NCCC[N@@H+]2CCNC(=O)C2)ncc1Br ZINC000594873987 439635488 /nfs/dbraw/zinc/63/54/88/439635488.db2.gz YQAMSNYWWMWMLS-UHFFFAOYSA-N 1 2 338.209 0.950 20 30 ECEDLO N#Cc1cc(NCCC[N@H+]2CCNC(=O)C2)ncc1Br ZINC000594873987 439635492 /nfs/dbraw/zinc/63/54/92/439635492.db2.gz YQAMSNYWWMWMLS-UHFFFAOYSA-N 1 2 338.209 0.950 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CC3(O)CCC3)CC2)cc1 ZINC000610705945 439641433 /nfs/dbraw/zinc/64/14/33/439641433.db2.gz OCOWDNTZHXHUOZ-UHFFFAOYSA-N 1 2 335.429 0.780 20 30 ECEDLO Cc1cc(C#N)cc(N2CC[NH+](CC(=O)N3CCOCC3)CC2)n1 ZINC000585702283 439642699 /nfs/dbraw/zinc/64/26/99/439642699.db2.gz QESRNEJTOYWCKC-UHFFFAOYSA-N 1 2 329.404 0.243 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(F)cc2C#N)[C@H](C)CO1 ZINC000595126887 439658130 /nfs/dbraw/zinc/65/81/30/439658130.db2.gz XAVSLOMKUCOGSE-VXGBXAGGSA-N 1 2 348.378 0.861 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(F)cc2C#N)[C@H](C)CO1 ZINC000595126887 439658133 /nfs/dbraw/zinc/65/81/33/439658133.db2.gz XAVSLOMKUCOGSE-VXGBXAGGSA-N 1 2 348.378 0.861 20 30 ECEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[C@@](C)(C#N)C2)C[C@H](C)O1 ZINC000595160757 439664170 /nfs/dbraw/zinc/66/41/70/439664170.db2.gz XLCYZXZCWGOYSD-VBQJREDUSA-N 1 2 336.436 0.316 20 30 ECEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[C@@](C)(C#N)C2)C[C@H](C)O1 ZINC000595160757 439664172 /nfs/dbraw/zinc/66/41/72/439664172.db2.gz XLCYZXZCWGOYSD-VBQJREDUSA-N 1 2 336.436 0.316 20 30 ECEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@](C)(C#N)C1 ZINC000595175064 439668036 /nfs/dbraw/zinc/66/80/36/439668036.db2.gz VXWUQMZUFXPUQJ-QGZVFWFLSA-N 1 2 336.436 0.318 20 30 ECEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CC[C@](C)(C#N)C1 ZINC000595175064 439668040 /nfs/dbraw/zinc/66/80/40/439668040.db2.gz VXWUQMZUFXPUQJ-QGZVFWFLSA-N 1 2 336.436 0.318 20 30 ECEDLO N#CC1(c2ccc(C(=O)N[C@@H](CO)C[NH+]3CCOCC3)cc2)CC1 ZINC000572989350 439621392 /nfs/dbraw/zinc/62/13/92/439621392.db2.gz JRGWOKAWSXPSGZ-MRXNPFEDSA-N 1 2 329.400 0.665 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000595357034 439712608 /nfs/dbraw/zinc/71/26/08/439712608.db2.gz WRRODVTUPRGKEU-AWEZNQCLSA-N 1 2 344.481 0.367 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000595357035 439712847 /nfs/dbraw/zinc/71/28/47/439712847.db2.gz WRRODVTUPRGKEU-CQSZACIVSA-N 1 2 344.481 0.367 20 30 ECEDLO N#CCCCS(=O)(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000595359260 439712895 /nfs/dbraw/zinc/71/28/95/439712895.db2.gz JVMJGGYWDNVDDB-ZIAGYGMSSA-N 1 2 327.450 0.853 20 30 ECEDLO N#CCCN1CC[NH+](CC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000611174349 439677725 /nfs/dbraw/zinc/67/77/25/439677725.db2.gz CJYOEIDXIRIXLS-UHFFFAOYSA-N 1 2 329.404 0.544 20 30 ECEDLO C[C@@H](O)C(=O)N1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000611225669 439682698 /nfs/dbraw/zinc/68/26/98/439682698.db2.gz XDAXMQLFBJWOBU-ZBFHGGJFSA-N 1 2 347.415 0.017 20 30 ECEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCSC[C@H]2C(N)=O)cc1 ZINC000611350062 439693793 /nfs/dbraw/zinc/69/37/93/439693793.db2.gz XXVORPBGQYIBQE-ZFWWWQNUSA-N 1 2 335.429 0.395 20 30 ECEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCSC[C@H]2C(N)=O)cc1 ZINC000611350062 439693797 /nfs/dbraw/zinc/69/37/97/439693797.db2.gz XXVORPBGQYIBQE-ZFWWWQNUSA-N 1 2 335.429 0.395 20 30 ECEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(c3nc(N)n[nH]3)CC2)cc1 ZINC000595489730 439733881 /nfs/dbraw/zinc/73/38/81/439733881.db2.gz OAXWYQVZRHHIIO-ZDUSSCGKSA-N 1 2 325.376 0.665 20 30 ECEDLO C=CCCn1cc(C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)nn1 ZINC000653671491 440227059 /nfs/dbraw/zinc/22/70/59/440227059.db2.gz DKZJCOXQTADADL-CQSZACIVSA-N 1 2 341.481 0.958 20 30 ECEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)nn1 ZINC000653671491 440227066 /nfs/dbraw/zinc/22/70/66/440227066.db2.gz DKZJCOXQTADADL-CQSZACIVSA-N 1 2 341.481 0.958 20 30 ECEDLO C=CCn1cc(CNC(=O)N(CC[NH+]2CCOCC2)CC2CC2)nn1 ZINC000665181886 440432439 /nfs/dbraw/zinc/43/24/39/440432439.db2.gz AZBPFINQQOZXAD-UHFFFAOYSA-N 1 2 348.451 0.718 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CCOc2cccc(S(C)(=O)=O)c2)nn1 ZINC000641061284 441053783 /nfs/dbraw/zinc/05/37/83/441053783.db2.gz GNQYXAJNSSMDRM-UHFFFAOYSA-N 1 2 348.428 0.874 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C[C@H]2CCCN(S(C)(=O)=O)C2)nn1 ZINC000641151049 441062466 /nfs/dbraw/zinc/06/24/66/441062466.db2.gz QTFRYVGGRDZSEO-CYBMUJFWSA-N 1 2 325.438 0.063 20 30 ECEDLO COc1cc(C#N)ccc1NC(=O)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000546709536 322120524 /nfs/dbraw/zinc/12/05/24/322120524.db2.gz SYRLMRKZGLPSNP-GFCCVEGCSA-N 1 2 346.387 0.342 20 30 ECEDLO COc1cc(C#N)ccc1NC(=O)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000546709536 322120526 /nfs/dbraw/zinc/12/05/26/322120526.db2.gz SYRLMRKZGLPSNP-GFCCVEGCSA-N 1 2 346.387 0.342 20 30 ECEDLO COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000547416085 322126594 /nfs/dbraw/zinc/12/65/94/322126594.db2.gz HTADCKUCQJGSRF-UHFFFAOYSA-N 1 2 328.372 0.812 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ncncc2C#N)CC1 ZINC000563040005 322293898 /nfs/dbraw/zinc/29/38/98/322293898.db2.gz ZDXOCHRIJBJSAH-CYBMUJFWSA-N 1 2 332.408 0.011 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000563831894 322347247 /nfs/dbraw/zinc/34/72/47/322347247.db2.gz JOQYCPDRIPRIOY-MRXNPFEDSA-N 1 2 337.383 0.752 20 30 ECEDLO Cc1cc(NC(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)ncc1C#N ZINC000567365979 322580947 /nfs/dbraw/zinc/58/09/47/322580947.db2.gz RFUNXNZKKJAUQZ-GFCCVEGCSA-N 1 2 338.371 0.950 20 30 ECEDLO C[C@H](NC(=O)NCC[NH+]1CCOCC1)C(=O)N1CCCC[C@H]1C ZINC000329034478 546012137 /nfs/dbraw/zinc/01/21/37/546012137.db2.gz BYIANZMXBCBKEQ-KGLIPLIRSA-N 1 2 326.441 0.612 20 30 ECEDLO O=C(C[C@H]1CCCO1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329757307 546033632 /nfs/dbraw/zinc/03/36/32/546033632.db2.gz MUVQLVBTZFZHSF-UONOGXRCSA-N 1 2 325.409 0.445 20 30 ECEDLO C=CCNC(=O)c1cccc(S(=O)(=O)NCc2c[nH+]cn2C)c1 ZINC000349814221 546134217 /nfs/dbraw/zinc/13/42/17/546134217.db2.gz SYQVRJMYEIIJPT-UHFFFAOYSA-N 1 2 334.401 0.814 20 30 ECEDLO C[C@H](C(=O)NC(N)=O)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000619647531 546355252 /nfs/dbraw/zinc/35/52/52/546355252.db2.gz XHFJWXGNWWEMBE-RISCZKNCSA-N 1 2 333.367 0.591 20 30 ECEDLO C=C[C@@](C)(O)C(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000619942458 546387814 /nfs/dbraw/zinc/38/78/14/546387814.db2.gz RTBPUSHUVXIOIL-MSOLQXFVSA-N 1 2 334.416 0.303 20 30 ECEDLO C=C[C@@](C)(O)C(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000619942458 546387819 /nfs/dbraw/zinc/38/78/19/546387819.db2.gz RTBPUSHUVXIOIL-MSOLQXFVSA-N 1 2 334.416 0.303 20 30 ECEDLO COCC#CC[N@@H+]1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000677816798 548957943 /nfs/dbraw/zinc/95/79/43/548957943.db2.gz CGSQFTLCRMQASH-UHFFFAOYSA-N 1 2 341.433 0.638 20 30 ECEDLO COCC#CC[N@H+]1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000677816798 548957947 /nfs/dbraw/zinc/95/79/47/548957947.db2.gz CGSQFTLCRMQASH-UHFFFAOYSA-N 1 2 341.433 0.638 20 30 ECEDLO C[C@]1(O)CC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000748832005 579329753 /nfs/dbraw/zinc/32/97/53/579329753.db2.gz CRZMZUOYHRHUKR-SJCJKPOMSA-N 1 2 326.356 0.968 20 30 ECEDLO C[C@]1(O)CC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000748832005 579329754 /nfs/dbraw/zinc/32/97/54/579329754.db2.gz CRZMZUOYHRHUKR-SJCJKPOMSA-N 1 2 326.356 0.968 20 30 ECEDLO CN1C(=O)N[C@]2(CCC[C@H]2C[NH+]=Cc2ccc(O)c(O)c2O)C1=O ZINC000751889900 579377147 /nfs/dbraw/zinc/37/71/47/579377147.db2.gz DAJGNGIPKWCKLD-VNZYYBBLSA-N 1 2 333.344 0.943 20 30 ECEDLO CC1(C)COCC[N@@H+]1CCNc1cccc(S(N)(=O)=O)c1C#N ZINC000754992627 579427291 /nfs/dbraw/zinc/42/72/91/579427291.db2.gz GAOXIHDWJCHGAU-UHFFFAOYSA-N 1 2 338.433 0.728 20 30 ECEDLO CC1(C)COCC[N@H+]1CCNc1cccc(S(N)(=O)=O)c1C#N ZINC000754992627 579427293 /nfs/dbraw/zinc/42/72/93/579427293.db2.gz GAOXIHDWJCHGAU-UHFFFAOYSA-N 1 2 338.433 0.728 20 30 ECEDLO CC(C)(C)c1noc(C=NNC(=S)NCC[NH+]2CCOCC2)n1 ZINC000758074771 579467260 /nfs/dbraw/zinc/46/72/60/579467260.db2.gz UPUMBCBMJFTMDV-UHFFFAOYSA-N 1 2 340.453 0.497 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000730276170 578304386 /nfs/dbraw/zinc/30/43/86/578304386.db2.gz HEGIRONXGMEESZ-INIZCTEOSA-N 1 2 326.400 0.659 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000730276170 578304387 /nfs/dbraw/zinc/30/43/87/578304387.db2.gz HEGIRONXGMEESZ-INIZCTEOSA-N 1 2 326.400 0.659 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732810380 578329870 /nfs/dbraw/zinc/32/98/70/578329870.db2.gz LXGDEXDMVAEOBU-LLVKDONJSA-N 1 2 334.342 0.844 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732810380 578329871 /nfs/dbraw/zinc/32/98/71/578329871.db2.gz LXGDEXDMVAEOBU-LLVKDONJSA-N 1 2 334.342 0.844 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735505735 578387001 /nfs/dbraw/zinc/38/70/01/578387001.db2.gz VWSFFMVHZOFNAI-LBPRGKRZSA-N 1 2 325.376 0.671 20 30 ECEDLO CC[N@H+](CC(=O)NCCC#N)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000794751937 578599340 /nfs/dbraw/zinc/59/93/40/578599340.db2.gz RPHUWEJIXSPTTF-UHFFFAOYSA-N 1 2 345.403 0.935 20 30 ECEDLO CC[N@@H+](CC(=O)NCCC#N)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000794751937 578599341 /nfs/dbraw/zinc/59/93/41/578599341.db2.gz RPHUWEJIXSPTTF-UHFFFAOYSA-N 1 2 345.403 0.935 20 30 ECEDLO C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000799283390 578661817 /nfs/dbraw/zinc/66/18/17/578661817.db2.gz FGOUVNCABMOZGB-CYBMUJFWSA-N 1 2 328.372 0.711 20 30 ECEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000780882782 578702078 /nfs/dbraw/zinc/70/20/78/578702078.db2.gz NKIVPNRGKFHVNM-QGZVFWFLSA-N 1 2 344.415 0.262 20 30 ECEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000780882782 578702080 /nfs/dbraw/zinc/70/20/80/578702080.db2.gz NKIVPNRGKFHVNM-QGZVFWFLSA-N 1 2 344.415 0.262 20 30 ECEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782610153 578729272 /nfs/dbraw/zinc/72/92/72/578729272.db2.gz VEAYLMLCFOAAIQ-KBXCAEBGSA-N 1 2 337.383 0.997 20 30 ECEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782610153 578729273 /nfs/dbraw/zinc/72/92/73/578729273.db2.gz VEAYLMLCFOAAIQ-KBXCAEBGSA-N 1 2 337.383 0.997 20 30 ECEDLO N#CCCCCOC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000786999604 578798779 /nfs/dbraw/zinc/79/87/79/578798779.db2.gz UBCGBJAEUZHLQM-OAHLLOKOSA-N 1 2 337.420 0.937 20 30 ECEDLO C=C(CO)C(=O)N1CC[NH+](CCNC(=O)c2ccc(OC)cc2)CC1 ZINC000791361540 578889408 /nfs/dbraw/zinc/88/94/08/578889408.db2.gz USFMHHNBOQFDFW-UHFFFAOYSA-N 1 2 347.415 0.118 20 30 ECEDLO N#Cc1ccccc1S(=O)(=O)NCC(=O)OCc1cc[nH+]c(N)c1 ZINC000791651612 578891343 /nfs/dbraw/zinc/89/13/43/578891343.db2.gz QTQCZSVMLBRYKN-UHFFFAOYSA-N 1 2 346.368 0.557 20 30 ECEDLO COC(=O)c1cn(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)nn1 ZINC000793591600 578931558 /nfs/dbraw/zinc/93/15/58/578931558.db2.gz ONSJJBBBPRPTCO-GFCCVEGCSA-N 1 2 328.332 0.442 20 30 ECEDLO COC(=O)c1cn(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)nn1 ZINC000793591600 578931559 /nfs/dbraw/zinc/93/15/59/578931559.db2.gz ONSJJBBBPRPTCO-GFCCVEGCSA-N 1 2 328.332 0.442 20 30 ECEDLO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1c[nH+]cn1C ZINC000766383367 579086925 /nfs/dbraw/zinc/08/69/25/579086925.db2.gz WDBDALQILHAFNC-NSHDSACASA-N 1 2 348.384 0.702 20 30 ECEDLO O=C(CCNC(=O)C1N=CC=CC1=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767553654 579111132 /nfs/dbraw/zinc/11/11/32/579111132.db2.gz CSHKDDILTYTYDV-WXOBYUGDSA-N 1 2 349.387 0.309 20 30 ECEDLO O=C(CCNC(=O)C1N=CC=CC1=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767553654 579111133 /nfs/dbraw/zinc/11/11/33/579111133.db2.gz CSHKDDILTYTYDV-WXOBYUGDSA-N 1 2 349.387 0.309 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000771507883 579189946 /nfs/dbraw/zinc/18/99/46/579189946.db2.gz DCIFFMFRHRQMRQ-UHFFFAOYSA-N 1 2 331.357 0.991 20 30 ECEDLO C#CCOc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000773289885 579224009 /nfs/dbraw/zinc/22/40/09/579224009.db2.gz DLWBDGWEZIMKCQ-CQSZACIVSA-N 1 2 345.399 0.474 20 30 ECEDLO C#CCOc1ccccc1NC(=O)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000773289885 579224010 /nfs/dbraw/zinc/22/40/10/579224010.db2.gz DLWBDGWEZIMKCQ-CQSZACIVSA-N 1 2 345.399 0.474 20 30 ECEDLO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000776877095 579290071 /nfs/dbraw/zinc/29/00/71/579290071.db2.gz MKKGLOAPIGHRRO-CYBMUJFWSA-N 1 2 335.371 0.959 20 30 ECEDLO N#CCn1c(=O)c2ccccc2nc1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000776877095 579290073 /nfs/dbraw/zinc/29/00/73/579290073.db2.gz MKKGLOAPIGHRRO-CYBMUJFWSA-N 1 2 335.371 0.959 20 30 ECEDLO C#CCOc1ccccc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000778948054 579312706 /nfs/dbraw/zinc/31/27/06/579312706.db2.gz SIYLXWJLOUVFAU-CQSZACIVSA-N 1 2 345.399 0.162 20 30 ECEDLO C#CCOc1ccccc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000778948054 579312707 /nfs/dbraw/zinc/31/27/07/579312707.db2.gz SIYLXWJLOUVFAU-CQSZACIVSA-N 1 2 345.399 0.162 20 30 ECEDLO C#CC(=O)N1CC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000779709272 579319765 /nfs/dbraw/zinc/31/97/65/579319765.db2.gz SGERGCXFJNUSAD-KRWDZBQOSA-N 1 2 325.412 0.955 20 30 ECEDLO CC[C@@H]1C[C@@H](C=NNC(=S)NCC[NH+]2CCOCC2)CCO1 ZINC000779759369 579320281 /nfs/dbraw/zinc/32/02/81/579320281.db2.gz UJMFPXPJEPLROG-UONOGXRCSA-N 1 2 328.482 0.974 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](C[C@H](O)c2ccc(C)cc2)CC1 ZINC000761031683 579519825 /nfs/dbraw/zinc/51/98/25/579519825.db2.gz UFZLCJPVSUWOEO-INIZCTEOSA-N 1 2 337.445 0.114 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H](CC)Nc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000746259723 579834551 /nfs/dbraw/zinc/83/45/51/579834551.db2.gz NQXWUYGRDGEPCW-CYBMUJFWSA-N 1 2 348.407 0.605 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)[C@@H](C)C1 ZINC000867131519 588913472 /nfs/dbraw/zinc/91/34/72/588913472.db2.gz KQILSESAARRRQH-RYUDHWBXSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)[C@@H](C)C1 ZINC000867131519 588913474 /nfs/dbraw/zinc/91/34/74/588913474.db2.gz KQILSESAARRRQH-RYUDHWBXSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)[C@@H](C)C1 ZINC000867131518 588913561 /nfs/dbraw/zinc/91/35/61/588913561.db2.gz KQILSESAARRRQH-NWDGAFQWSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)[C@@H](C)C1 ZINC000867131518 588913563 /nfs/dbraw/zinc/91/35/63/588913563.db2.gz KQILSESAARRRQH-NWDGAFQWSA-N 1 2 341.408 0.773 20 30 ECEDLO O=C(C[NH+]1CCN(c2ccccn2)CC1)NCC#C[C@H]1CCCCO1 ZINC000891127356 586084193 /nfs/dbraw/zinc/08/41/93/586084193.db2.gz VBWHLPXOKHZILO-QGZVFWFLSA-N 1 2 342.443 0.892 20 30 ECEDLO N#Cc1cc(CN2CC[NH+](CC(=O)N3CCOCC3)CC2)cs1 ZINC000891511538 586172698 /nfs/dbraw/zinc/17/26/98/586172698.db2.gz WTEDAGXDXUQSGP-UHFFFAOYSA-N 1 2 334.445 0.596 20 30 ECEDLO C#CC1(O)CN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000891608924 586181634 /nfs/dbraw/zinc/18/16/34/586181634.db2.gz XTAXKECOSVXLIW-UHFFFAOYSA-N 1 2 329.400 0.408 20 30 ECEDLO C#CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](CC#C)C2)c1 ZINC000891607048 586181747 /nfs/dbraw/zinc/18/17/47/586181747.db2.gz QLCNQRZIQUZOOC-MRXNPFEDSA-N 1 2 339.395 0.851 20 30 ECEDLO C#CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](CC#C)C2)c1 ZINC000891607048 586181750 /nfs/dbraw/zinc/18/17/50/586181750.db2.gz QLCNQRZIQUZOOC-MRXNPFEDSA-N 1 2 339.395 0.851 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC)cc2OC)C1 ZINC000891607183 586181775 /nfs/dbraw/zinc/18/17/75/586181775.db2.gz RXSXUHQIWSFWNX-ZDUSSCGKSA-N 1 2 345.399 0.856 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC)cc2OC)C1 ZINC000891607183 586181778 /nfs/dbraw/zinc/18/17/78/586181778.db2.gz RXSXUHQIWSFWNX-ZDUSSCGKSA-N 1 2 345.399 0.856 20 30 ECEDLO C#CC1(O)CN(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)C1 ZINC000892174684 586227232 /nfs/dbraw/zinc/22/72/32/586227232.db2.gz DMOYSYGSBDNKSO-KRWDZBQOSA-N 1 2 343.427 0.758 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C)n2CCOC)CC1 ZINC000842993270 589045937 /nfs/dbraw/zinc/04/59/37/589045937.db2.gz FYTBLQZYRKZEPO-LSDHHAIUSA-N 1 2 333.436 0.572 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(C(=O)OC)c(CC)[nH]2)CC1 ZINC000893915512 586366833 /nfs/dbraw/zinc/36/68/33/586366833.db2.gz WHFHGFVQRSOQPV-UHFFFAOYSA-N 1 2 348.447 0.784 20 30 ECEDLO COc1cc(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)ccc1C#N ZINC000899064346 586468985 /nfs/dbraw/zinc/46/89/85/586468985.db2.gz VWGHXWAXVQNHNL-UHFFFAOYSA-N 1 2 331.372 0.745 20 30 ECEDLO COc1cc(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)ccc1C#N ZINC000899064346 586468987 /nfs/dbraw/zinc/46/89/87/586468987.db2.gz VWGHXWAXVQNHNL-UHFFFAOYSA-N 1 2 331.372 0.745 20 30 ECEDLO C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)[C@@H]2C[C@]2(c2ccccc2)C1=O ZINC000899917453 586512895 /nfs/dbraw/zinc/51/28/95/586512895.db2.gz ZVMQPZQYLPXOAP-RVKKMQEKSA-N 1 2 327.384 0.519 20 30 ECEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)[C@@H]2C[C@]2(c2ccccc2)C1=O ZINC000899917453 586512897 /nfs/dbraw/zinc/51/28/97/586512897.db2.gz ZVMQPZQYLPXOAP-RVKKMQEKSA-N 1 2 327.384 0.519 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1cnn(C2CCC2)c1 ZINC000901129793 586695828 /nfs/dbraw/zinc/69/58/28/586695828.db2.gz IVGCOLCDRSAHRJ-UHFFFAOYSA-N 1 2 336.465 0.738 20 30 ECEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(C[C@@H]2C[C@@]23CCOC3)c1=O ZINC000902417084 586736628 /nfs/dbraw/zinc/73/66/28/586736628.db2.gz BILMNAUEOXCZCV-FUHWJXTLSA-N 1 2 329.400 0.979 20 30 ECEDLO C=CCOCC(=O)N1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000907580472 586740022 /nfs/dbraw/zinc/74/00/22/586740022.db2.gz BZHTYFUOOBDZRV-MRXNPFEDSA-N 1 2 328.372 0.845 20 30 ECEDLO Cn1c(=O)c2ccc(C(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)cc2[nH]c1=S ZINC000843459639 589068276 /nfs/dbraw/zinc/06/82/76/589068276.db2.gz FVHGCFLEDVTJII-BXKDBHETSA-N 1 2 329.385 0.064 20 30 ECEDLO COc1c(C)c[nH+]c(CNC(=O)NCCn2cnc(C#N)n2)c1C ZINC000805028999 586872531 /nfs/dbraw/zinc/87/25/31/586872531.db2.gz FPULCWYVQRQZQD-UHFFFAOYSA-N 1 2 329.364 0.670 20 30 ECEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC000757995826 586895456 /nfs/dbraw/zinc/89/54/56/586895456.db2.gz OQEMHUTWMJXBOP-OLZOCXBDSA-N 1 2 348.407 0.941 20 30 ECEDLO CNC(=O)CCOC1CC[NH+](Cn2ccc(C)c(C#N)c2=O)CC1 ZINC000758229967 586896708 /nfs/dbraw/zinc/89/67/08/586896708.db2.gz ICETURJOGHMGPM-UHFFFAOYSA-N 1 2 332.404 0.603 20 30 ECEDLO C[C@H]1CC[N@H+](CC(=O)NCCC#N)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805786666 586938843 /nfs/dbraw/zinc/93/88/43/586938843.db2.gz YKNGRTGHMABQRA-NHCYSSNCSA-N 1 2 334.342 0.794 20 30 ECEDLO C[C@H]1CC[N@@H+](CC(=O)NCCC#N)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805786666 586938845 /nfs/dbraw/zinc/93/88/45/586938845.db2.gz YKNGRTGHMABQRA-NHCYSSNCSA-N 1 2 334.342 0.794 20 30 ECEDLO N#Cc1sccc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000906725669 586975811 /nfs/dbraw/zinc/97/58/11/586975811.db2.gz OVXSBRSLZNEGEB-GFCCVEGCSA-N 1 2 348.428 0.283 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000801514647 586998539 /nfs/dbraw/zinc/99/85/39/586998539.db2.gz APRFRMHCTZNTOU-UHFFFAOYSA-N 1 2 334.351 0.601 20 30 ECEDLO CS(=O)(=O)CC1(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)CC1 ZINC000801552966 586999020 /nfs/dbraw/zinc/99/90/20/586999020.db2.gz FKXFHBOYJJCLOV-UHFFFAOYSA-N 1 2 334.445 0.900 20 30 ECEDLO C#Cc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000906989689 587003537 /nfs/dbraw/zinc/00/35/37/587003537.db2.gz XQMRACWCQWHPEJ-HNNXBMFYSA-N 1 2 335.473 0.830 20 30 ECEDLO CN(C)c1c[nH+]ccc1NC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000801923780 587005721 /nfs/dbraw/zinc/00/57/21/587005721.db2.gz NEBVZBMKMAFEDE-PFONDFGASA-N 1 2 344.375 0.217 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)nc1 ZINC000907106151 587013323 /nfs/dbraw/zinc/01/33/23/587013323.db2.gz ZMROQGONTSPNQW-UONOGXRCSA-N 1 2 336.417 0.173 20 30 ECEDLO C#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000907104508 587013371 /nfs/dbraw/zinc/01/33/71/587013371.db2.gz NNOHTCHATHOAJU-SJORKVTESA-N 1 2 334.441 0.888 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)nc1 ZINC000907418180 587043257 /nfs/dbraw/zinc/04/32/57/587043257.db2.gz IEOCVDUASVAYSL-STQMWFEESA-N 1 2 338.458 0.811 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)nc1 ZINC000907418180 587043258 /nfs/dbraw/zinc/04/32/58/587043258.db2.gz IEOCVDUASVAYSL-STQMWFEESA-N 1 2 338.458 0.811 20 30 ECEDLO C=C(Br)CNC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000809460673 587178240 /nfs/dbraw/zinc/17/82/40/587178240.db2.gz OALBPKMQLWIULQ-VIFPVBQESA-N 1 2 327.182 0.339 20 30 ECEDLO C#C[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C)[C@H]1CCCO1 ZINC000811185367 587214018 /nfs/dbraw/zinc/21/40/18/587214018.db2.gz JXOSTGGRBMSYPN-HRCADAONSA-N 1 2 346.431 0.780 20 30 ECEDLO C#C[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C)[C@H]1CCCO1 ZINC000811185367 587214020 /nfs/dbraw/zinc/21/40/20/587214020.db2.gz JXOSTGGRBMSYPN-HRCADAONSA-N 1 2 346.431 0.780 20 30 ECEDLO C#C[C@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cn1)[C@@H]1CCCO1 ZINC000811185900 587214072 /nfs/dbraw/zinc/21/40/72/587214072.db2.gz WTRHJLLWNXJQDJ-RDJZCZTQSA-N 1 2 329.400 0.824 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCn3nccc32)CC1 ZINC000818753629 587449984 /nfs/dbraw/zinc/44/99/84/587449984.db2.gz WUPNLJCFFABZGX-OAHLLOKOSA-N 1 2 343.431 0.044 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCn3nccc32)CC1 ZINC000818753629 587449986 /nfs/dbraw/zinc/44/99/86/587449986.db2.gz WUPNLJCFFABZGX-OAHLLOKOSA-N 1 2 343.431 0.044 20 30 ECEDLO C#C[C@@H](CC)NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000821567873 587600666 /nfs/dbraw/zinc/60/06/66/587600666.db2.gz YQQDPQOFZIXBDM-LBPRGKRZSA-N 1 2 327.392 0.607 20 30 ECEDLO C#CCN(CC(=O)N[C@@H](C)C[NH+]1CCOCC1)C(=O)OC(C)(C)C ZINC000822102656 587644464 /nfs/dbraw/zinc/64/44/64/587644464.db2.gz PHVXGHPJCXPTCP-AWEZNQCLSA-N 1 2 339.436 0.694 20 30 ECEDLO C#C[C@@H](NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1)C1CCOCC1 ZINC000823186467 587708076 /nfs/dbraw/zinc/70/80/76/587708076.db2.gz MMZQALMVNYJKEN-QGZVFWFLSA-N 1 2 345.447 0.676 20 30 ECEDLO C#C[C@H](NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)C1CCOCC1 ZINC000823178359 587708111 /nfs/dbraw/zinc/70/81/11/587708111.db2.gz PHXGFMXYQPSXBQ-AWEZNQCLSA-N 1 2 336.436 0.006 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H](C)[C@H]2CCCO2)CC1 ZINC000826550812 588069475 /nfs/dbraw/zinc/06/94/75/588069475.db2.gz WLZPEHMFNKHDJJ-JKSUJKDBSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](C)[C@H]2CCCO2)CC1 ZINC000826550812 588069477 /nfs/dbraw/zinc/06/94/77/588069477.db2.gz WLZPEHMFNKHDJJ-JKSUJKDBSA-N 1 2 335.448 0.475 20 30 ECEDLO C#Cc1cnc(N2CC[NH+]([C@@H](C)C(=O)NCCCOC)CC2)nc1 ZINC000827557192 588127723 /nfs/dbraw/zinc/12/77/23/588127723.db2.gz JPUGEMQBLAROPC-AWEZNQCLSA-N 1 2 331.420 0.121 20 30 ECEDLO C#C[C@@H]([NH2+]Cc1nccn1S(=O)(=O)N(C)C)C1CCOCC1 ZINC000827559229 588128103 /nfs/dbraw/zinc/12/81/03/588128103.db2.gz CVTHOZJOJJNOGH-CYBMUJFWSA-N 1 2 326.422 0.056 20 30 ECEDLO C#CCOc1ccc(CNS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000867354626 589109942 /nfs/dbraw/zinc/10/99/42/589109942.db2.gz HHDKTBKPCWPZHL-INIZCTEOSA-N 1 2 338.429 0.449 20 30 ECEDLO C#CCOc1ccc(CNS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000867354626 589109943 /nfs/dbraw/zinc/10/99/43/589109943.db2.gz HHDKTBKPCWPZHL-INIZCTEOSA-N 1 2 338.429 0.449 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+](Cc2cnn(CC)c2)C(C)C)CC1 ZINC000844418434 589110615 /nfs/dbraw/zinc/11/06/15/589110615.db2.gz UNEREBCHCPBPHM-UHFFFAOYSA-N 1 2 331.464 0.891 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+](Cc2cnn(CC)c2)C(C)C)CC1 ZINC000844418434 589110617 /nfs/dbraw/zinc/11/06/17/589110617.db2.gz UNEREBCHCPBPHM-UHFFFAOYSA-N 1 2 331.464 0.891 20 30 ECEDLO CCN1C[C@@H](C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)OC1=O ZINC000846870324 589227335 /nfs/dbraw/zinc/22/73/35/589227335.db2.gz XOASCZWRBUDUID-CYBMUJFWSA-N 1 2 332.408 0.563 20 30 ECEDLO N#CCC1(COC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000849767952 589349162 /nfs/dbraw/zinc/34/91/62/589349162.db2.gz AYNWNNBNSSDKQF-OAHLLOKOSA-N 1 2 349.431 0.937 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN[C@@]2(C(=O)OC)CC[C@H](C)CC2)CC1 ZINC000852471678 589497932 /nfs/dbraw/zinc/49/79/32/589497932.db2.gz CJYRPQCXBODAGX-RZDIXWSQSA-N 1 2 335.448 0.475 20 30 ECEDLO NC(CN1CCOCC1)=[NH+]OCC(=O)NC1CCCCCCC1 ZINC000111181645 589538211 /nfs/dbraw/zinc/53/82/11/589538211.db2.gz ITWCOUSUKGNHNS-UHFFFAOYSA-N 1 2 326.441 0.837 20 30 ECEDLO NC(=NOC[C@H]1COCCO1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000853657828 589554150 /nfs/dbraw/zinc/55/41/50/589554150.db2.gz JXIMOEHSUJZQOM-MRXNPFEDSA-N 1 2 335.404 0.571 20 30 ECEDLO COC(=O)CCN1CC[C@H](O[NH+]=C(N)c2ccc3c(c2)CCO3)C1=O ZINC000853679615 589554744 /nfs/dbraw/zinc/55/47/44/589554744.db2.gz FFRVBDCVVWYALR-AWEZNQCLSA-N 1 2 347.371 0.422 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)CC1 ZINC000112920400 589617292 /nfs/dbraw/zinc/61/72/92/589617292.db2.gz FZSPCRAHRBXVLM-UHFFFAOYSA-N 1 2 342.399 0.994 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)CC1 ZINC000112920415 589617350 /nfs/dbraw/zinc/61/73/50/589617350.db2.gz ODBPWSUPXNQBDB-UHFFFAOYSA-N 1 2 340.383 0.129 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2cc(C3CC3)nc3c2c(=O)[nH]n3C)CC1 ZINC000112921111 589617715 /nfs/dbraw/zinc/61/77/15/589617715.db2.gz NLCNPLAXFIDXNR-UHFFFAOYSA-N 1 2 339.399 0.530 20 30 ECEDLO C#CCCCOc1ccc[nH+]c1NC[C@]12COCCN1C(=O)COC2 ZINC000866189579 589728245 /nfs/dbraw/zinc/72/82/45/589728245.db2.gz ONHKCCNONGKGON-GOSISDBHSA-N 1 2 345.399 0.914 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cc2cccc(OCC(=O)NC)c2)CC1 ZINC000121010792 589734210 /nfs/dbraw/zinc/73/42/10/589734210.db2.gz UTODAHHIDFXRQQ-UHFFFAOYSA-N 1 2 329.400 0.131 20 30 ECEDLO C#CCNC(=O)CN1CCN(c2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000858391052 589745737 /nfs/dbraw/zinc/74/57/37/589745737.db2.gz VQHCFZQZPPSLNZ-UHFFFAOYSA-N 1 2 348.410 0.754 20 30 ECEDLO C#CCCCOc1ccc[nH+]c1NC1CN(S(=O)(=O)N(C)C)C1 ZINC000858826069 589776506 /nfs/dbraw/zinc/77/65/06/589776506.db2.gz IWTAWBJBHKZPQZ-UHFFFAOYSA-N 1 2 338.433 0.776 20 30 ECEDLO CCC(C#N)(CC)C(=O)O[C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000860739279 589797534 /nfs/dbraw/zinc/79/75/34/589797534.db2.gz RFRUWUDNJSKGEQ-ZDUSSCGKSA-N 1 2 325.409 0.696 20 30 ECEDLO C#CCN(C)C(=O)C(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000859551326 589849839 /nfs/dbraw/zinc/84/98/39/589849839.db2.gz SMHIVPUWHCKVDS-UHFFFAOYSA-N 1 2 338.411 0.904 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000862198239 589931477 /nfs/dbraw/zinc/93/14/77/589931477.db2.gz XADDUMNIVOOUDP-CYBMUJFWSA-N 1 2 327.344 0.360 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)C#Cc1cccs1 ZINC000862643491 589953020 /nfs/dbraw/zinc/95/30/20/589953020.db2.gz UZLFWZHZOLIOKW-KRWDZBQOSA-N 1 2 334.441 0.832 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)C#Cc1cccs1 ZINC000862643491 589953023 /nfs/dbraw/zinc/95/30/23/589953023.db2.gz UZLFWZHZOLIOKW-KRWDZBQOSA-N 1 2 334.441 0.832 20 30 ECEDLO C=C(C)[C@@H](CC(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1)OCC ZINC000870065997 589995875 /nfs/dbraw/zinc/99/58/75/589995875.db2.gz XZQFCHDIDSVWRK-JKSUJKDBSA-N 1 2 326.437 0.917 20 30 ECEDLO N#CCOc1ccccc1C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870069802 589996830 /nfs/dbraw/zinc/99/68/30/589996830.db2.gz NGLUGJXQRLGBPM-HNNXBMFYSA-N 1 2 345.399 0.762 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)c2ccncc2)CC1 ZINC000865177425 590129459 /nfs/dbraw/zinc/12/94/59/590129459.db2.gz BRIMPOUNMVVYKN-OAHLLOKOSA-N 1 2 328.416 0.469 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)c2ccncc2)CC1 ZINC000865177425 590129461 /nfs/dbraw/zinc/12/94/61/590129461.db2.gz BRIMPOUNMVVYKN-OAHLLOKOSA-N 1 2 328.416 0.469 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC23CC(OCC)C3)CC1 ZINC000865178220 590129857 /nfs/dbraw/zinc/12/98/57/590129857.db2.gz VDFHWFRAELZJDY-KOHRHEQBSA-N 1 2 347.459 0.475 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC23CC(OCC)C3)CC1 ZINC000865178220 590129858 /nfs/dbraw/zinc/12/98/58/590129858.db2.gz VDFHWFRAELZJDY-KOHRHEQBSA-N 1 2 347.459 0.475 20 30 ECEDLO C#CCNS(=O)(=O)N1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC000872632967 590135770 /nfs/dbraw/zinc/13/57/70/590135770.db2.gz DMEFRPHMCHKIBX-UHFFFAOYSA-N 1 2 335.433 0.252 20 30 ECEDLO COC(=O)[C@H]1CC(=O)N(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000872728060 590145434 /nfs/dbraw/zinc/14/54/34/590145434.db2.gz AEWNYYHGVCEVJC-HNNXBMFYSA-N 1 2 342.399 0.659 20 30 ECEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000873947699 590213488 /nfs/dbraw/zinc/21/34/88/590213488.db2.gz XTGZTLJARCUBAR-BETUJISGSA-N 1 2 329.404 0.977 20 30 ECEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000873947699 590213489 /nfs/dbraw/zinc/21/34/89/590213489.db2.gz XTGZTLJARCUBAR-BETUJISGSA-N 1 2 329.404 0.977 20 30 ECEDLO CCOC(=O)[C@@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)C(C)C ZINC000874258341 590228693 /nfs/dbraw/zinc/22/86/93/590228693.db2.gz JBLRVGFESLUNGA-OAHLLOKOSA-N 1 2 339.436 0.896 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000875058393 590266281 /nfs/dbraw/zinc/26/62/81/590266281.db2.gz NBLZRXOSQIQBDI-CQSZACIVSA-N 1 2 332.404 0.308 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000875058377 590266464 /nfs/dbraw/zinc/26/64/64/590266464.db2.gz MSIOESVKOCXQGR-AWEZNQCLSA-N 1 2 332.404 0.308 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000875599101 590312560 /nfs/dbraw/zinc/31/25/60/590312560.db2.gz DNMIPXUMYZHZDR-AWEZNQCLSA-N 1 2 332.404 0.591 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879463937 590313386 /nfs/dbraw/zinc/31/33/86/590313386.db2.gz VSINSJYCXVJLHL-CQSZACIVSA-N 1 2 331.416 0.964 20 30 ECEDLO CN1C(=O)[C@H]2C[N@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C[C@H]2C1=O ZINC000879533096 590320348 /nfs/dbraw/zinc/32/03/48/590320348.db2.gz CEEGZQDCVWAWCJ-TXEJJXNPSA-N 1 2 346.774 0.697 20 30 ECEDLO CN1C(=O)[C@H]2C[N@@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C[C@H]2C1=O ZINC000879533096 590320351 /nfs/dbraw/zinc/32/03/51/590320351.db2.gz CEEGZQDCVWAWCJ-TXEJJXNPSA-N 1 2 346.774 0.697 20 30 ECEDLO CNS(=O)(=O)CC[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000879590956 590326626 /nfs/dbraw/zinc/32/66/26/590326626.db2.gz OJJGINBXGSDBCQ-UHFFFAOYSA-N 1 2 326.397 0.369 20 30 ECEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879695224 590335391 /nfs/dbraw/zinc/33/53/91/590335391.db2.gz UZPDGYKRGLVXRH-SDDRHHMPSA-N 1 2 349.456 0.968 20 30 ECEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879695224 590335394 /nfs/dbraw/zinc/33/53/94/590335394.db2.gz UZPDGYKRGLVXRH-SDDRHHMPSA-N 1 2 349.456 0.968 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879930151 590352220 /nfs/dbraw/zinc/35/22/20/590352220.db2.gz NLKYWOOZISEFSO-HGTKMLMNSA-N 1 2 341.477 0.796 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879930151 590352223 /nfs/dbraw/zinc/35/22/23/590352223.db2.gz NLKYWOOZISEFSO-HGTKMLMNSA-N 1 2 341.477 0.796 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCO[C@H](C(F)(F)F)CC2)CC1 ZINC000880047802 590363507 /nfs/dbraw/zinc/36/35/07/590363507.db2.gz ZITZKJRUWFONRI-ZDUSSCGKSA-N 1 2 333.354 0.417 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCO[C@H](C(F)(F)F)CC2)CC1 ZINC000880047802 590363509 /nfs/dbraw/zinc/36/35/09/590363509.db2.gz ZITZKJRUWFONRI-ZDUSSCGKSA-N 1 2 333.354 0.417 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)nn1 ZINC000881409832 590453233 /nfs/dbraw/zinc/45/32/33/590453233.db2.gz VAMUPSQWOYNRIB-MRXNPFEDSA-N 1 2 348.428 0.528 20 30 ECEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCN([C@@H](CC=C)C(=O)OC)C[C@@H](O)C1 ZINC000878304385 590514503 /nfs/dbraw/zinc/51/45/03/590514503.db2.gz MIWYVBZLZGQKEL-QDMKHBRRSA-N 1 2 340.420 0.200 20 30 ECEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCN([C@@H](CC=C)C(=O)OC)C[C@@H](O)C1 ZINC000878304385 590514506 /nfs/dbraw/zinc/51/45/06/590514506.db2.gz MIWYVBZLZGQKEL-QDMKHBRRSA-N 1 2 340.420 0.200 20 30 ECEDLO C=CC[C@H](C(=O)OC)N1CC[N@@H+]([C@@H](CC=C)C(=O)OC)C[C@@H](O)C1 ZINC000878304385 590514508 /nfs/dbraw/zinc/51/45/08/590514508.db2.gz MIWYVBZLZGQKEL-QDMKHBRRSA-N 1 2 340.420 0.200 20 30 ECEDLO C=CC[C@H](C(=O)OC)N1CC[N@H+]([C@@H](CC=C)C(=O)OC)C[C@@H](O)C1 ZINC000878304385 590514511 /nfs/dbraw/zinc/51/45/11/590514511.db2.gz MIWYVBZLZGQKEL-QDMKHBRRSA-N 1 2 340.420 0.200 20 30 ECEDLO NC(=NOCCN1CCOC1=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000882962574 590599713 /nfs/dbraw/zinc/59/97/13/590599713.db2.gz XJNDMUWUKIZUKE-UHFFFAOYSA-N 1 2 348.403 0.608 20 30 ECEDLO N#CCCNC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000027369656 590612138 /nfs/dbraw/zinc/61/21/38/590612138.db2.gz INDJXRFIJFWTRZ-UHFFFAOYSA-N 1 2 344.415 0.605 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)C[C@]2(OC(C)C)CCOC2)C1 ZINC000885509685 590728544 /nfs/dbraw/zinc/72/85/44/590728544.db2.gz WIWHBQGZNYAIJE-HOTGVXAUSA-N 1 2 344.477 0.588 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)C[C@]2(OC(C)C)CCOC2)C1 ZINC000885509685 590728547 /nfs/dbraw/zinc/72/85/47/590728547.db2.gz WIWHBQGZNYAIJE-HOTGVXAUSA-N 1 2 344.477 0.588 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)OC)C1 ZINC000885511572 590729984 /nfs/dbraw/zinc/72/99/84/590729984.db2.gz JYJDTXRYZURPBC-SOUVJXGZSA-N 1 2 342.461 0.735 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)OC)C1 ZINC000885511572 590729988 /nfs/dbraw/zinc/72/99/88/590729988.db2.gz JYJDTXRYZURPBC-SOUVJXGZSA-N 1 2 342.461 0.735 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000885511234 590730426 /nfs/dbraw/zinc/73/04/26/590730426.db2.gz DANAAFCDSPYAML-ZDUSSCGKSA-N 1 2 346.416 0.038 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000885511234 590730427 /nfs/dbraw/zinc/73/04/27/590730427.db2.gz DANAAFCDSPYAML-ZDUSSCGKSA-N 1 2 346.416 0.038 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000884070226 590731939 /nfs/dbraw/zinc/73/19/39/590731939.db2.gz DTEQMWYARQOUNP-LBPRGKRZSA-N 1 2 325.409 0.150 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000884209752 590775778 /nfs/dbraw/zinc/77/57/78/590775778.db2.gz HYMVTEDIYTZBHD-CJNGLKHVSA-N 1 2 347.415 0.837 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000884232586 590784078 /nfs/dbraw/zinc/78/40/78/590784078.db2.gz WBVFPAQMQSDXAU-ZDUSSCGKSA-N 1 2 333.388 0.925 20 30 ECEDLO N#C[C@]12CN(C(=O)Cc3cn4ccccc4[nH+]3)C[C@@H]1CS(=O)(=O)C2 ZINC000886202056 590811181 /nfs/dbraw/zinc/81/11/81/590811181.db2.gz BREBUIKYRRRRPE-MLGOLLRUSA-N 1 2 344.396 0.274 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)NCC2(CS(C)(=O)=O)CCC2)C1 ZINC000884418718 590824089 /nfs/dbraw/zinc/82/40/89/590824089.db2.gz SVYKWNFCBOOHDX-CQSZACIVSA-N 1 2 341.477 0.598 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC2(CS(C)(=O)=O)CCC2)C1 ZINC000884418718 590824095 /nfs/dbraw/zinc/82/40/95/590824095.db2.gz SVYKWNFCBOOHDX-CQSZACIVSA-N 1 2 341.477 0.598 20 30 ECEDLO COCCOCC[NH+]1CCN(C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000886268895 590824403 /nfs/dbraw/zinc/82/44/03/590824403.db2.gz FCYURZRJZHCPLX-INIZCTEOSA-N 1 2 325.453 0.712 20 30 ECEDLO C=CCOCCCC(=O)N1CCN(c2nc(N)[nH+]c(C3CC3)n2)CC1 ZINC000887621010 590983024 /nfs/dbraw/zinc/98/30/24/590983024.db2.gz YOBXYVWAUROXNR-UHFFFAOYSA-N 1 2 346.435 0.963 20 30 ECEDLO C=CCOCCCC(=O)N1CCN(c2nc(N)nc(C3CC3)[nH+]2)CC1 ZINC000887621010 590983027 /nfs/dbraw/zinc/98/30/27/590983027.db2.gz YOBXYVWAUROXNR-UHFFFAOYSA-N 1 2 346.435 0.963 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccccc2CF)CC1 ZINC000930119379 611392062 /nfs/dbraw/zinc/39/20/62/611392062.db2.gz RYIQWCUYOOXYMF-UHFFFAOYSA-N 1 2 325.409 0.741 20 30 ECEDLO CN(Cc1cc(C#N)cs1)C(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000930808443 611466807 /nfs/dbraw/zinc/46/68/07/611466807.db2.gz ADXFRAKSAWWYDS-UHFFFAOYSA-N 1 2 331.401 0.671 20 30 ECEDLO C[NH+](C)Cc1csc(CNC(=O)C(=O)NCC(C)(C)CC#N)n1 ZINC000930820843 611468892 /nfs/dbraw/zinc/46/88/92/611468892.db2.gz HVEHAHINGXQIML-UHFFFAOYSA-N 1 2 337.449 0.877 20 30 ECEDLO COC(OC)C(=O)N1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000930957520 611489514 /nfs/dbraw/zinc/48/95/14/611489514.db2.gz WEIWIAGNDCFKCU-OAHLLOKOSA-N 1 2 333.388 0.355 20 30 ECEDLO C#CC1(O)CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000931145751 611511449 /nfs/dbraw/zinc/51/14/49/611511449.db2.gz FGEBTERPBUMZEB-UHFFFAOYSA-N 1 2 329.356 0.944 20 30 ECEDLO Cn1[nH]c(=O)c2c1C[N@H+](CC(=O)NCc1ccc(C#N)cc1)CC2 ZINC000931200291 611518220 /nfs/dbraw/zinc/51/82/20/611518220.db2.gz OSCRZTHIMOWFRW-UHFFFAOYSA-N 1 2 325.372 0.672 20 30 ECEDLO Cn1[nH]c(=O)c2c1C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)CC2 ZINC000931200291 611518222 /nfs/dbraw/zinc/51/82/22/611518222.db2.gz OSCRZTHIMOWFRW-UHFFFAOYSA-N 1 2 325.372 0.672 20 30 ECEDLO CC(C)(C)OC(=O)N1CCO[C@@]2(CC[N@H+](CC(=O)NCC#N)C2)C1 ZINC000931853007 611574344 /nfs/dbraw/zinc/57/43/44/611574344.db2.gz XGGSNWRNBICAGX-MRXNPFEDSA-N 1 2 338.408 0.338 20 30 ECEDLO CC(C)(C)OC(=O)N1CCO[C@@]2(CC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC000931853007 611574346 /nfs/dbraw/zinc/57/43/46/611574346.db2.gz XGGSNWRNBICAGX-MRXNPFEDSA-N 1 2 338.408 0.338 20 30 ECEDLO COc1cccc(OCC[NH+]2CCN(C(=O)NCC#CCO)CC2)c1 ZINC000923775555 608922140 /nfs/dbraw/zinc/92/21/40/608922140.db2.gz KHBFPFVLHORLJY-UHFFFAOYSA-N 1 2 347.415 0.397 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1 ZINC000937131842 608993195 /nfs/dbraw/zinc/99/31/95/608993195.db2.gz YTPQWQFHLVHHMS-HOTGVXAUSA-N 1 2 339.395 0.858 20 30 ECEDLO CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000937198011 609034876 /nfs/dbraw/zinc/03/48/76/609034876.db2.gz PFCLMYXOTFGOJA-CQSZACIVSA-N 1 2 340.387 0.535 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000937270616 609095217 /nfs/dbraw/zinc/09/52/17/609095217.db2.gz DAWLQCVLOHJMRD-CYBMUJFWSA-N 1 2 340.387 0.915 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)no3)[C@H](C)C2)nn1 ZINC000947791772 611692356 /nfs/dbraw/zinc/69/23/56/611692356.db2.gz FWGRJVYBELRLKS-YPMHNXCESA-N 1 2 345.407 0.938 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)no3)[C@H](C)C2)nn1 ZINC000947791772 611692358 /nfs/dbraw/zinc/69/23/58/611692358.db2.gz FWGRJVYBELRLKS-YPMHNXCESA-N 1 2 345.407 0.938 20 30 ECEDLO Cn1cc([C@H]2CN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC[NH2+]2)cn1 ZINC000913464658 609676804 /nfs/dbraw/zinc/67/68/04/609676804.db2.gz WLLGGTSTHGLNSQ-HZPDHXFCSA-N 1 2 325.372 0.498 20 30 ECEDLO N#Cc1cncc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c1 ZINC000921321737 609703284 /nfs/dbraw/zinc/70/32/84/609703284.db2.gz JGOVCSRCYWNYTD-KBPBESRZSA-N 1 2 338.458 0.811 20 30 ECEDLO N#Cc1cncc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)c1 ZINC000921321737 609703285 /nfs/dbraw/zinc/70/32/85/609703285.db2.gz JGOVCSRCYWNYTD-KBPBESRZSA-N 1 2 338.458 0.811 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cn1 ZINC000921323472 609706942 /nfs/dbraw/zinc/70/69/42/609706942.db2.gz IKVBVXAAWMVIRA-UONOGXRCSA-N 1 2 338.458 0.811 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)cn1 ZINC000921323472 609706943 /nfs/dbraw/zinc/70/69/43/609706943.db2.gz IKVBVXAAWMVIRA-UONOGXRCSA-N 1 2 338.458 0.811 20 30 ECEDLO C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@@H]1C ZINC000947823875 611708608 /nfs/dbraw/zinc/70/86/08/611708608.db2.gz BWUWULQTPUYLRH-QWHCGFSZSA-N 1 2 344.419 0.616 20 30 ECEDLO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@@H]1C ZINC000947823875 611708611 /nfs/dbraw/zinc/70/86/11/611708611.db2.gz BWUWULQTPUYLRH-QWHCGFSZSA-N 1 2 344.419 0.616 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cn1 ZINC000938372279 609758827 /nfs/dbraw/zinc/75/88/27/609758827.db2.gz CMUQZIHVNSTBLZ-ARFHVFGLSA-N 1 2 349.394 0.920 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cn1 ZINC000938372279 609758828 /nfs/dbraw/zinc/75/88/28/609758828.db2.gz CMUQZIHVNSTBLZ-ARFHVFGLSA-N 1 2 349.394 0.920 20 30 ECEDLO C#Cc1ccc(NC(=O)CC[NH+]2CCN(S(=O)(=O)CC)CC2)cc1 ZINC000929421101 609792496 /nfs/dbraw/zinc/79/24/96/609792496.db2.gz DNCWRBQDWMRPGV-UHFFFAOYSA-N 1 2 349.456 0.964 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)Cc2csc(C#N)c2)CC[N@@H+]1CCO ZINC000914400131 609884617 /nfs/dbraw/zinc/88/46/17/609884617.db2.gz CMBXYHKEROEYRM-LLVKDONJSA-N 1 2 329.447 0.448 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)Cc2csc(C#N)c2)CC[N@H+]1CCO ZINC000914400131 609884620 /nfs/dbraw/zinc/88/46/20/609884620.db2.gz CMBXYHKEROEYRM-LLVKDONJSA-N 1 2 329.447 0.448 20 30 ECEDLO C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C[C@H](C)N1CC#N ZINC000915854134 609924873 /nfs/dbraw/zinc/92/48/73/609924873.db2.gz FYXSPDHSFHNBMB-GASCZTMLSA-N 1 2 337.468 0.725 20 30 ECEDLO C[C@@H]1CN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C[C@H](C)N1CC#N ZINC000915854134 609924874 /nfs/dbraw/zinc/92/48/74/609924874.db2.gz FYXSPDHSFHNBMB-GASCZTMLSA-N 1 2 337.468 0.725 20 30 ECEDLO N#CCc1ccccc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000917061373 609959985 /nfs/dbraw/zinc/95/99/85/609959985.db2.gz HXLSAYIZPDCNER-OAHLLOKOSA-N 1 2 334.445 0.421 20 30 ECEDLO N#CCc1ccccc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000917061373 609959986 /nfs/dbraw/zinc/95/99/86/609959986.db2.gz HXLSAYIZPDCNER-OAHLLOKOSA-N 1 2 334.445 0.421 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000939933814 610170934 /nfs/dbraw/zinc/17/09/34/610170934.db2.gz CEKAHYOVRLMXIH-WCQYABFASA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000939933814 610170935 /nfs/dbraw/zinc/17/09/35/610170935.db2.gz CEKAHYOVRLMXIH-WCQYABFASA-N 1 2 340.387 0.819 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)nn1 ZINC000940505171 610293104 /nfs/dbraw/zinc/29/31/04/610293104.db2.gz VUYKARBHGAQHLV-CYBMUJFWSA-N 1 2 343.391 0.151 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)nn1 ZINC000940505171 610293105 /nfs/dbraw/zinc/29/31/05/610293105.db2.gz VUYKARBHGAQHLV-CYBMUJFWSA-N 1 2 343.391 0.151 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccnn3CC(F)F)CC2)C1 ZINC000941411035 610302043 /nfs/dbraw/zinc/30/20/43/610302043.db2.gz SDVQZSNDZZHLGI-UHFFFAOYSA-N 1 2 337.374 0.223 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCOC[C@@H]3OC)CC2)C1 ZINC000941432754 610312721 /nfs/dbraw/zinc/31/27/21/610312721.db2.gz FRJZZTNGVKPQOM-WMZOPIPTSA-N 1 2 349.475 0.280 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCO[C@H]3C(C)C)CC2)C1 ZINC000941433469 610313588 /nfs/dbraw/zinc/31/35/88/610313588.db2.gz WRVOSIAIIKECHJ-MSOLQXFVSA-N 1 2 333.476 0.899 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cccc(C(N)=O)c3)CC2)C1 ZINC000941462999 610321418 /nfs/dbraw/zinc/32/14/18/610321418.db2.gz HTATZSRZOQIVLA-UHFFFAOYSA-N 1 2 340.427 0.251 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cn(C)nc3COC)CC2)C1 ZINC000941463470 610321607 /nfs/dbraw/zinc/32/16/07/610321607.db2.gz XOWACUGFOQGOKZ-UHFFFAOYSA-N 1 2 345.447 0.032 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000940644413 610321841 /nfs/dbraw/zinc/32/18/41/610321841.db2.gz BCOWKDIDWMGPKH-UHFFFAOYSA-N 1 2 340.387 0.835 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000940710908 610340138 /nfs/dbraw/zinc/34/01/38/610340138.db2.gz MGKUONPEWOTCMM-JWDQPFGJSA-N 1 2 346.431 0.897 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3cncc(C)c3)CC2)C1 ZINC000941502319 610345707 /nfs/dbraw/zinc/34/57/07/610345707.db2.gz PNQNYWUAUDBSIX-UHFFFAOYSA-N 1 2 326.444 0.784 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCc3c(C)nn(C)c3C)CC2)C1 ZINC000941505760 610347948 /nfs/dbraw/zinc/34/79/48/610347948.db2.gz DEUKECAEPMBXKR-UHFFFAOYSA-N 1 2 343.475 0.431 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3ncccc3OC)CC2)C1 ZINC000941533533 610365166 /nfs/dbraw/zinc/36/51/66/610365166.db2.gz DTRONMXPFWVETM-UHFFFAOYSA-N 1 2 342.443 0.484 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)Cc3c(C)noc3C)CC2)C1 ZINC000941595214 610390212 /nfs/dbraw/zinc/39/02/12/610390212.db2.gz GMQHQQRQUCGOIE-AWEZNQCLSA-N 1 2 344.459 0.932 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(C)nc3OC)CC2)C1 ZINC000941596377 610413393 /nfs/dbraw/zinc/41/33/93/610413393.db2.gz CLNZSGQVVKWNJT-UHFFFAOYSA-N 1 2 328.416 0.474 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C(=O)N3CCC(C)CC3)CC2)C1 ZINC000941596926 610414030 /nfs/dbraw/zinc/41/40/30/610414030.db2.gz TVYDKKNDIZVQGC-UHFFFAOYSA-N 1 2 346.475 0.097 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3scnc3COC)CC2)C1 ZINC000941596728 610414141 /nfs/dbraw/zinc/41/41/41/610414141.db2.gz ORYIHLZGADAJJK-UHFFFAOYSA-N 1 2 348.472 0.755 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)Oc3ccccn3)CC2)C1 ZINC000941640806 610419736 /nfs/dbraw/zinc/41/97/36/610419736.db2.gz CVLQSXKUHSIESR-OAHLLOKOSA-N 1 2 328.416 0.311 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000942374516 610421294 /nfs/dbraw/zinc/42/12/94/610421294.db2.gz GQWOZJNSVHPZDF-ZIAGYGMSSA-N 1 2 326.400 0.960 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3csc(CC)n3)CC2)C1 ZINC000941674922 610447788 /nfs/dbraw/zinc/44/77/88/610447788.db2.gz NCXCUBWOUAUGBO-UHFFFAOYSA-N 1 2 332.473 0.710 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCc3c(C)noc3C)CC2)C1 ZINC000941664708 610456192 /nfs/dbraw/zinc/45/61/92/610456192.db2.gz BULHRHZTLFSPRT-UHFFFAOYSA-N 1 2 330.432 0.686 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1OC ZINC000942513432 610492540 /nfs/dbraw/zinc/49/25/40/610492540.db2.gz QXMRYKVYKWQZKR-OWCLPIDISA-N 1 2 345.399 0.333 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1OC ZINC000942513432 610492542 /nfs/dbraw/zinc/49/25/42/610492542.db2.gz QXMRYKVYKWQZKR-OWCLPIDISA-N 1 2 345.399 0.333 20 30 ECEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000942728942 610588780 /nfs/dbraw/zinc/58/87/80/610588780.db2.gz JIPXYGWKJXWQSU-ZDUSSCGKSA-N 1 2 340.387 0.915 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)[nH]1 ZINC000941262515 610630812 /nfs/dbraw/zinc/63/08/12/610630812.db2.gz RPPKTWIXJUXCHO-JHJVBQTASA-N 1 2 338.371 0.744 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)[nH]1 ZINC000941262515 610630815 /nfs/dbraw/zinc/63/08/15/610630815.db2.gz RPPKTWIXJUXCHO-JHJVBQTASA-N 1 2 338.371 0.744 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCc4cn[nH]c43)CC2)C1 ZINC000941410426 610720179 /nfs/dbraw/zinc/72/01/79/610720179.db2.gz HGRGRLRMFBGLAQ-MRXNPFEDSA-N 1 2 327.432 0.291 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccnc4[nH]cnc43)CC2)C1 ZINC000941424021 610724532 /nfs/dbraw/zinc/72/45/32/610724532.db2.gz HLLACIGUSPRKDC-UHFFFAOYSA-N 1 2 338.415 0.423 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CCCN2C(=O)CCn2cc[nH+]c2)c1 ZINC000944162488 610760613 /nfs/dbraw/zinc/76/06/13/610760613.db2.gz SFODTOHVBCOCEW-CQSZACIVSA-N 1 2 340.387 0.894 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(C)n3)C[C@@H]2C)nc1 ZINC000944193311 610776469 /nfs/dbraw/zinc/77/64/69/610776469.db2.gz UYJGHIJXYOJBKY-BBRMVZONSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cnn(C)n3)C[C@@H]2C)nc1 ZINC000944193311 610776470 /nfs/dbraw/zinc/77/64/70/610776470.db2.gz UYJGHIJXYOJBKY-BBRMVZONSA-N 1 2 338.415 0.832 20 30 ECEDLO C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H](C)C1 ZINC000943689615 610948080 /nfs/dbraw/zinc/94/80/80/610948080.db2.gz LEBVCENIGQFPHY-JSGCOSHPSA-N 1 2 344.419 0.474 20 30 ECEDLO C=CCC[N@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H](C)C1 ZINC000943689615 610948082 /nfs/dbraw/zinc/94/80/82/610948082.db2.gz LEBVCENIGQFPHY-JSGCOSHPSA-N 1 2 344.419 0.474 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC000944670520 611072317 /nfs/dbraw/zinc/07/23/17/611072317.db2.gz OMXIPPWBNFJGQU-STQMWFEESA-N 1 2 341.371 0.451 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](OC)C1 ZINC000946439302 611267160 /nfs/dbraw/zinc/26/71/60/611267160.db2.gz SQBIBGVBDHSCPO-CHWSQXEVSA-N 1 2 334.420 0.897 20 30 ECEDLO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000834512310 611289663 /nfs/dbraw/zinc/28/96/63/611289663.db2.gz UTXZOTPOUAMLDO-ZWNOBZJWSA-N 1 2 343.412 0.303 20 30 ECEDLO C#CC[C@H]1NC(=O)N([C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1=O ZINC000842241998 611313071 /nfs/dbraw/zinc/31/30/71/611313071.db2.gz CEFIDFCWNICYGT-IAGOWNOFSA-N 1 2 341.411 0.874 20 30 ECEDLO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+](CC)CCSC)c1=O ZINC000842645411 611319043 /nfs/dbraw/zinc/31/90/43/611319043.db2.gz YWGFWPWLWGLGFH-UHFFFAOYSA-N 1 2 340.449 0.186 20 30 ECEDLO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+](CC)CCSC)c1=O ZINC000842645411 611319044 /nfs/dbraw/zinc/31/90/44/611319044.db2.gz YWGFWPWLWGLGFH-UHFFFAOYSA-N 1 2 340.449 0.186 20 30 ECEDLO CCn1ncnc1C[NH+]1CCC2(CC1)CN(C(=O)[C@H](C)C#N)CCO2 ZINC000949052079 611829612 /nfs/dbraw/zinc/82/96/12/611829612.db2.gz WGCSAADPZXIXOT-CQSZACIVSA-N 1 2 346.435 0.651 20 30 ECEDLO C[C@H](C(=O)N(C)C)[N@H+]1CCOC2(CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC000949320192 611938036 /nfs/dbraw/zinc/93/80/36/611938036.db2.gz HUFUKGBKFWJNDQ-UONOGXRCSA-N 1 2 336.436 0.316 20 30 ECEDLO C[C@H](C(=O)N(C)C)[N@@H+]1CCOC2(CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC000949320192 611938039 /nfs/dbraw/zinc/93/80/39/611938039.db2.gz HUFUKGBKFWJNDQ-UONOGXRCSA-N 1 2 336.436 0.316 20 30 ECEDLO C[C@H](C(N)=O)[N@@H+]1CCOC2(CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 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/nfs/dbraw/zinc/59/37/63/612593763.db2.gz CGNUFSPTQPPDQV-UHFFFAOYSA-N 1 2 340.387 0.846 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC000951817081 612659294 /nfs/dbraw/zinc/65/92/94/612659294.db2.gz QCEFYGCEPJVASC-LBPRGKRZSA-N 1 2 343.391 0.151 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC000954106670 612669092 /nfs/dbraw/zinc/66/90/92/612669092.db2.gz DEIMARCJUQFKQS-UHFFFAOYSA-N 1 2 326.360 0.443 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000955617920 612710175 /nfs/dbraw/zinc/71/01/75/612710175.db2.gz JIDGESZSNLEMNQ-WCQYABFASA-N 1 2 340.387 0.961 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)CCc3c[nH]c[nH+]3)C2)nc1 ZINC000954913127 612782142 /nfs/dbraw/zinc/78/21/42/612782142.db2.gz QEMGRVXAUULUET-UHFFFAOYSA-N 1 2 337.383 0.702 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)CCc3c[nH+]c[nH]3)C2)nc1 ZINC000954913127 612782145 /nfs/dbraw/zinc/78/21/45/612782145.db2.gz QEMGRVXAUULUET-UHFFFAOYSA-N 1 2 337.383 0.702 20 30 ECEDLO C#Cc1ccccc1CC(=O)N(C)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000954931882 612795052 /nfs/dbraw/zinc/79/50/52/612795052.db2.gz DAQZIKSVVZCLQT-UHFFFAOYSA-N 1 2 336.395 0.845 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000954402275 612892739 /nfs/dbraw/zinc/89/27/39/612892739.db2.gz JDZVYHNMRPIGID-KGLIPLIRSA-N 1 2 332.404 0.603 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(N(C)C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000954425896 612904601 /nfs/dbraw/zinc/90/46/01/612904601.db2.gz FMBAAKZVLOHXFP-INIZCTEOSA-N 1 2 349.475 0.979 20 30 ECEDLO CC(C)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)CC1 ZINC000956581763 612917689 /nfs/dbraw/zinc/91/76/89/612917689.db2.gz PMCRAXBYEKYIOJ-MRXNPFEDSA-N 1 2 343.431 0.901 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)C3=COCCC3)CC2)C1 ZINC000956587901 612919495 /nfs/dbraw/zinc/91/94/95/612919495.db2.gz KHJUQJBDFXCYDR-GOEBONIOSA-N 1 2 346.431 0.585 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCN(C(=O)CC)C3)CC2)cn1 ZINC000956601972 612923636 /nfs/dbraw/zinc/92/36/36/612923636.db2.gz UBALRZJDLUEEPL-QGZVFWFLSA-N 1 2 340.427 0.832 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H](C)CCNC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001078036167 782189446 /nfs/dbraw/zinc/18/94/46/782189446.db2.gz JLEDQOMPNROBAH-LBPRGKRZSA-N 1 2 325.372 0.653 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc4n[nH]c(C)c4c3)[C@H]2C1 ZINC001083275531 738491231 /nfs/dbraw/zinc/49/12/31/738491231.db2.gz JNEDSTSQZJXRQQ-LSDHHAIUSA-N 1 2 325.372 0.425 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc4n[nH]c(C)c4c3)[C@H]2C1 ZINC001083275531 738491234 /nfs/dbraw/zinc/49/12/34/738491234.db2.gz JNEDSTSQZJXRQQ-LSDHHAIUSA-N 1 2 325.372 0.425 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccn3ccnc3c2)[C@@H](n2ccnn2)C1 ZINC001069977092 790269908 /nfs/dbraw/zinc/26/99/08/790269908.db2.gz JEWLYEAWPJMYRU-CVEARBPZSA-N 1 2 349.398 0.604 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccn3ccnc3c2)[C@@H](n2ccnn2)C1 ZINC001069977092 790269912 /nfs/dbraw/zinc/26/99/12/790269912.db2.gz 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C[C@@H](NC(=O)[C@H]1CCC(=O)N1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000969410530 731819233 /nfs/dbraw/zinc/81/92/33/731819233.db2.gz SADUMQDLRFDDLC-BDJLRTHQSA-N 1 2 344.390 0.912 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC000969418411 731841718 /nfs/dbraw/zinc/84/17/18/731841718.db2.gz JQSZIWRDMIJJIY-KGLIPLIRSA-N 1 2 334.420 0.551 20 30 ECEDLO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+](CC(=O)NC2CCCC2)C1 ZINC000969526560 731949078 /nfs/dbraw/zinc/94/90/78/731949078.db2.gz NEMPYEGHAASGGS-GFCCVEGCSA-N 1 2 343.431 0.995 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2ccn(C(C)C)n2)[C@@H](n2ccnn2)C1 ZINC001069982513 790276483 /nfs/dbraw/zinc/27/64/83/790276483.db2.gz GFCBFBRRAOJPHT-CVEARBPZSA-N 1 2 341.419 0.273 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2ccn(C(C)C)n2)[C@@H](n2ccnn2)C1 ZINC001069982513 790276488 /nfs/dbraw/zinc/27/64/88/790276488.db2.gz GFCBFBRRAOJPHT-CVEARBPZSA-N 1 2 341.419 0.273 20 30 ECEDLO CN(C[C@@H](O)CN(C)c1ccc(C#N)nc1)C(=O)CCc1c[nH]c[nH+]1 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0.330 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nncn4C3)C2)C1 ZINC000972687534 737377304 /nfs/dbraw/zinc/37/73/04/737377304.db2.gz HPZMHAZREONURC-PBHICJAKSA-N 1 2 331.420 0.330 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCCC[NH2+]Cc1noc(CC)n1 ZINC001167684675 737754998 /nfs/dbraw/zinc/75/49/98/737754998.db2.gz MMHHNSSDWISUDH-ZDUSSCGKSA-N 1 2 337.424 0.699 20 30 ECEDLO Cn1nncc1C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001024394789 737938077 /nfs/dbraw/zinc/93/80/77/737938077.db2.gz MFNWUPFJDDFAGF-CYBMUJFWSA-N 1 2 327.392 0.799 20 30 ECEDLO Cn1nncc1C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC001024394789 737938079 /nfs/dbraw/zinc/93/80/79/737938079.db2.gz MFNWUPFJDDFAGF-CYBMUJFWSA-N 1 2 327.392 0.799 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000973322124 739095678 /nfs/dbraw/zinc/09/56/78/739095678.db2.gz ZYIKVKCVKDWBIU-HPZZRFSDSA-N 1 2 346.431 0.707 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3cccc(C)c3)[C@@H](O)C2)C1=O ZINC001083321949 751414034 /nfs/dbraw/zinc/41/40/34/751414034.db2.gz JROPYBHVOMSNPS-IKGGRYGDSA-N 1 2 343.427 0.557 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3cccc(C)c3)[C@@H](O)C2)C1=O ZINC001083321949 751414038 /nfs/dbraw/zinc/41/40/38/751414038.db2.gz JROPYBHVOMSNPS-IKGGRYGDSA-N 1 2 343.427 0.557 20 30 ECEDLO C[C@@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001104723001 739533091 /nfs/dbraw/zinc/53/30/91/739533091.db2.gz INIQJJPGXBQTIU-QWHCGFSZSA-N 1 2 339.403 0.488 20 30 ECEDLO N#Cc1ccc(N2CCC3(C[C@@H]3NC(=O)Cn3cc[nH+]c3)CC2)nn1 ZINC001058638290 739637041 /nfs/dbraw/zinc/63/70/41/739637041.db2.gz RJRBJXUMHZQBDS-AWEZNQCLSA-N 1 2 337.387 0.720 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2O)C1 ZINC001025548496 739704678 /nfs/dbraw/zinc/70/46/78/739704678.db2.gz GNIBWIAXTHOALX-ZIAGYGMSSA-N 1 2 332.404 0.317 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H](C)C2CN(C(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC001006530428 751485075 /nfs/dbraw/zinc/48/50/75/751485075.db2.gz RFUZDUGWDNIZLH-LBPRGKRZSA-N 1 2 337.383 0.605 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)NCCN(CCO)C(=O)[C@H](C)C#N)c[nH+]1 ZINC001058663564 740038133 /nfs/dbraw/zinc/03/81/33/740038133.db2.gz WUPVOBKFUZESKT-GFCCVEGCSA-N 1 2 335.408 0.023 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc(C(C)(C)C)nc3)[C@H]2C1 ZINC001083291151 740437344 /nfs/dbraw/zinc/43/73/44/740437344.db2.gz RWDLWAQRPDTUOP-LSDHHAIUSA-N 1 2 328.416 0.933 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc(C(C)(C)C)nc3)[C@H]2C1 ZINC001083291151 740437345 /nfs/dbraw/zinc/43/73/45/740437345.db2.gz RWDLWAQRPDTUOP-LSDHHAIUSA-N 1 2 328.416 0.933 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N(C)[C@H](C)CNc1ccnc(C#N)n1 ZINC001104865349 740752825 /nfs/dbraw/zinc/75/28/25/740752825.db2.gz CBDLNTYBBQGMPN-GFCCVEGCSA-N 1 2 340.387 0.675 20 30 ECEDLO CN(C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)c1cncc(C#N)n1 ZINC001058705654 740974104 /nfs/dbraw/zinc/97/41/04/740974104.db2.gz GSSXMOPTIHLEDQ-ZDUSSCGKSA-N 1 2 339.403 0.989 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[N@@H+]([C@@H]3CCN(C)C3=O)CC2)nn1 ZINC000982143541 751639559 /nfs/dbraw/zinc/63/95/59/751639559.db2.gz XWELRLZPBAWCFJ-OAHLLOKOSA-N 1 2 346.435 0.233 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[N@H+]([C@@H]3CCN(C)C3=O)CC2)nn1 ZINC000982143541 751639563 /nfs/dbraw/zinc/63/95/63/751639563.db2.gz XWELRLZPBAWCFJ-OAHLLOKOSA-N 1 2 346.435 0.233 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[N@H+](CC(=O)NC3CC3)CC2)nn1 ZINC000982143082 751639738 /nfs/dbraw/zinc/63/97/38/751639738.db2.gz OICSNNZMSXQVMX-UHFFFAOYSA-N 1 2 346.435 0.281 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[N@@H+](CC(=O)NC3CC3)CC2)nn1 ZINC000982143082 751639743 /nfs/dbraw/zinc/63/97/43/751639743.db2.gz OICSNNZMSXQVMX-UHFFFAOYSA-N 1 2 346.435 0.281 20 30 ECEDLO C#CCOCCC(=O)N1CC(n2cc(C[NH2+]C/C=C\Cl)nn2)C1 ZINC001105240491 741531644 /nfs/dbraw/zinc/53/16/44/741531644.db2.gz PEMAPNYDOQSTQS-HYXAFXHYSA-N 1 2 337.811 0.543 20 30 ECEDLO CC[C@H]([NH2+]Cc1cn(C2CN(C(=O)C#CC(C)(C)C)C2)nn1)C(N)=O ZINC001105238313 741532891 /nfs/dbraw/zinc/53/28/91/741532891.db2.gz VJPKQMPZUKYCBF-AWEZNQCLSA-N 1 2 346.435 0.064 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3nn(C)cc3Cl)C2)nn1 ZINC001105247102 741547507 /nfs/dbraw/zinc/54/75/07/741547507.db2.gz PITCQJGVYJGTAZ-UHFFFAOYSA-N 1 2 347.810 0.475 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(C)nc3C3CC3)C2)nn1 ZINC001105249078 741551940 /nfs/dbraw/zinc/55/19/40/741551940.db2.gz ICRLKVHWISAPJT-UHFFFAOYSA-N 1 2 339.403 0.309 20 30 ECEDLO C=C(C)CCC(=O)N1CC(n2cc(C[NH2+]CC(=O)N(C)C)nn2)C1 ZINC001105252621 741562607 /nfs/dbraw/zinc/56/26/07/741562607.db2.gz ZXGUXIQBYSRFSI-UHFFFAOYSA-N 1 2 334.424 0.196 20 30 ECEDLO C#CCC[NH2+]Cc1cn(C2CN(C(=O)CCc3cnc[nH]3)C2)nn1 ZINC001105254344 741568554 /nfs/dbraw/zinc/56/85/54/741568554.db2.gz VOAHDDPFCYHMSM-UHFFFAOYSA-N 1 2 327.392 0.130 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc4cc[nH]c4n3)C2)nn1 ZINC001105264265 741599112 /nfs/dbraw/zinc/59/91/12/741599112.db2.gz CGRFTSFXVXPPOT-UHFFFAOYSA-N 1 2 335.371 0.574 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]nc3C(C)C)C2)nn1 ZINC001105275250 741621290 /nfs/dbraw/zinc/62/12/90/741621290.db2.gz INHXXTFYPKZTLF-UHFFFAOYSA-N 1 2 327.392 0.545 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccc4nccn43)C2)nn1 ZINC001105280965 741636936 /nfs/dbraw/zinc/63/69/36/741636936.db2.gz MYXLOQWURWBBRS-UHFFFAOYSA-N 1 2 335.371 0.346 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@]34C[C@H]3CCC4)C2)nn1 ZINC001105288478 741649042 /nfs/dbraw/zinc/64/90/42/741649042.db2.gz NDIWZHRSTNFGGE-RDTXWAMCSA-N 1 2 343.431 0.591 20 30 ECEDLO C#CCCCCC(=O)NCC[NH2+]Cc1nc(-c2ccncn2)no1 ZINC001125939207 741687435 /nfs/dbraw/zinc/68/74/35/741687435.db2.gz XOFHPILZDMEZQX-UHFFFAOYSA-N 1 2 328.376 0.926 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCc4cccnc43)C2)nn1 ZINC001105314426 741735817 /nfs/dbraw/zinc/73/58/17/741735817.db2.gz ROPWFWSEXLSWEO-MRXNPFEDSA-N 1 2 336.399 0.509 20 30 ECEDLO C=CCCCC(=O)N1CC(n2cc(C[NH2+][C@@H](CC)C(N)=O)nn2)C1 ZINC001105317102 741751463 /nfs/dbraw/zinc/75/14/63/741751463.db2.gz ISJLQINYBGALTN-AWEZNQCLSA-N 1 2 334.424 0.371 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)C3(C)CC=CC3)C2)nn1 ZINC001105317457 741753511 /nfs/dbraw/zinc/75/35/11/741753511.db2.gz ZLONIAVVDWPTBW-UHFFFAOYSA-N 1 2 343.431 0.757 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccnc3OC)C2)nn1 ZINC001105318639 741763654 /nfs/dbraw/zinc/76/36/54/741763654.db2.gz JDEVQGQMDVXEEK-UHFFFAOYSA-N 1 2 326.360 0.102 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H](C)C(F)(F)F)C2)nn1 ZINC001105318488 741767312 /nfs/dbraw/zinc/76/73/12/741767312.db2.gz BOBKGJMLODZELJ-JTQLQIEISA-N 1 2 329.326 0.973 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3ccco3)C2)nn1 ZINC001105332127 741843627 /nfs/dbraw/zinc/84/36/27/741843627.db2.gz XTHYZVVDAHPDJN-HUUCEWRRSA-N 1 2 325.372 0.781 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc(C)o2)C1 ZINC001026893006 742036890 /nfs/dbraw/zinc/03/68/90/742036890.db2.gz GIVXAXWMKWBPHJ-CABCVRRESA-N 1 2 331.420 0.414 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3cccc(F)c3F)C2)nn1 ZINC001105335412 742140662 /nfs/dbraw/zinc/14/06/62/742140662.db2.gz ZRVURWDDVHEWJW-UHFFFAOYSA-N 1 2 345.353 0.905 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CN2CCCNC2=O)C(C)(C)C1 ZINC000974767343 742157601 /nfs/dbraw/zinc/15/76/01/742157601.db2.gz NPCNCWMYYTZOAP-GFCCVEGCSA-N 1 2 328.844 0.981 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CN2CCCNC2=O)C(C)(C)C1 ZINC000974767343 742157603 /nfs/dbraw/zinc/15/76/03/742157603.db2.gz NPCNCWMYYTZOAP-GFCCVEGCSA-N 1 2 328.844 0.981 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)[C@@H]3C2)cn1 ZINC000974917279 742356357 /nfs/dbraw/zinc/35/63/57/742356357.db2.gz LPROJIYLKJXQIM-GDBMZVCRSA-N 1 2 349.394 0.702 20 30 ECEDLO N#Cc1cc(C(=O)N2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)[C@@H]3C2)c[nH]1 ZINC000974919391 742358286 /nfs/dbraw/zinc/35/82/86/742358286.db2.gz UWLXDUINEIVKRJ-BXUZGUMPSA-N 1 2 338.371 0.525 20 30 ECEDLO Cn1nnc(C(=O)N[C@H]2C[N@H+](CC#Cc3ccccc3)CC2(C)C)n1 ZINC000974943429 742380957 /nfs/dbraw/zinc/38/09/57/742380957.db2.gz FLOOJKKZFMFIKZ-HNNXBMFYSA-N 1 2 338.415 0.702 20 30 ECEDLO Cn1nnc(C(=O)N[C@H]2C[N@@H+](CC#Cc3ccccc3)CC2(C)C)n1 ZINC000974943429 742380963 /nfs/dbraw/zinc/38/09/63/742380963.db2.gz FLOOJKKZFMFIKZ-HNNXBMFYSA-N 1 2 338.415 0.702 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC000975189834 742582051 /nfs/dbraw/zinc/58/20/51/742582051.db2.gz WBBLPCYSWRNYOJ-LBPRGKRZSA-N 1 2 340.387 0.821 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)[nH]1 ZINC000975222618 742600522 /nfs/dbraw/zinc/60/05/22/742600522.db2.gz SFWAGQMXXPAXPB-CYBMUJFWSA-N 1 2 340.387 0.751 20 30 ECEDLO CCOCCC(=O)N1CC[C@H](n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001098641490 751797725 /nfs/dbraw/zinc/79/77/25/751797725.db2.gz UMDSTCPMCPZDJZ-INIZCTEOSA-N 1 2 349.435 0.218 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC000975976062 743424741 /nfs/dbraw/zinc/42/47/41/743424741.db2.gz XKDYYSKQLJAZDB-RDBSUJKOSA-N 1 2 329.404 0.951 20 30 ECEDLO C=C1CC(C)(C(=O)N(CCO)CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001058771099 744065468 /nfs/dbraw/zinc/06/54/68/744065468.db2.gz QNCJZUWNECEKNJ-UHFFFAOYSA-N 1 2 348.447 0.646 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H](C)c3cccnc3)C2)nn1 ZINC001105339504 744470667 /nfs/dbraw/zinc/47/06/67/744470667.db2.gz SJYFLKSIONYMCN-CQSZACIVSA-N 1 2 338.415 0.973 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21 ZINC000976921735 744481118 /nfs/dbraw/zinc/48/11/18/744481118.db2.gz BPWXHZBUIRUZLO-ATCWAGBWSA-N 1 2 338.371 0.347 20 30 ECEDLO C#Cc1cncc(C(=O)NC2CN(C(=O)CCc3c[nH+]cn3C)C2)c1 ZINC000999313803 744619343 /nfs/dbraw/zinc/61/93/43/744619343.db2.gz CMVITVKZYMUGMI-UHFFFAOYSA-N 1 2 337.383 0.370 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C(C)(C)C1 ZINC000977330503 744872960 /nfs/dbraw/zinc/87/29/60/744872960.db2.gz UPLUWTPGPUEMQP-LLVKDONJSA-N 1 2 327.812 0.618 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C(C)(C)C1 ZINC000977330503 744872963 /nfs/dbraw/zinc/87/29/63/744872963.db2.gz UPLUWTPGPUEMQP-LLVKDONJSA-N 1 2 327.812 0.618 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001006896859 751954662 /nfs/dbraw/zinc/95/46/62/751954662.db2.gz LREHPDLOSCQTHP-PEYYIBSZSA-N 1 2 346.431 0.815 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001006905820 751963238 /nfs/dbraw/zinc/96/32/38/751963238.db2.gz RHIJGHIOTZQMDY-GLQYFDAESA-N 1 2 332.404 0.506 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[N@@H+](CC(=O)NC3CC3)CC2(C)C)nc1 ZINC000977511159 745129426 /nfs/dbraw/zinc/12/94/26/745129426.db2.gz IONOMKOICLIAOI-INIZCTEOSA-N 1 2 340.427 0.782 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[N@H+](CC(=O)NC3CC3)CC2(C)C)nc1 ZINC000977511159 745129430 /nfs/dbraw/zinc/12/94/30/745129430.db2.gz IONOMKOICLIAOI-INIZCTEOSA-N 1 2 340.427 0.782 20 30 ECEDLO CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001058784866 745137446 /nfs/dbraw/zinc/13/74/46/745137446.db2.gz GGWZFNXTFZUDOW-CQSZACIVSA-N 1 2 346.431 0.426 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001028261092 751976533 /nfs/dbraw/zinc/97/65/33/751976533.db2.gz TVMRKIQKNVQBMX-JTQLQIEISA-N 1 2 336.783 0.364 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001028261092 751976535 /nfs/dbraw/zinc/97/65/35/751976535.db2.gz TVMRKIQKNVQBMX-JTQLQIEISA-N 1 2 336.783 0.364 20 30 ECEDLO C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3[nH]ncc3F)nn2)C1 ZINC001000015734 745185064 /nfs/dbraw/zinc/18/50/64/745185064.db2.gz PEKZWIJGIRPNNN-LBPRGKRZSA-N 1 2 333.371 0.893 20 30 ECEDLO C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3[nH]ncc3F)nn2)C1 ZINC001000015734 745185066 /nfs/dbraw/zinc/18/50/66/745185066.db2.gz PEKZWIJGIRPNNN-LBPRGKRZSA-N 1 2 333.371 0.893 20 30 ECEDLO C[C@@H](CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)Nc1ccnc(C#N)n1 ZINC001098267345 745232516 /nfs/dbraw/zinc/23/25/16/745232516.db2.gz BUHVTENRBCHWPK-WDEREUQCSA-N 1 2 325.376 0.530 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cccn2C)[C@H](OC)C1 ZINC001211857230 745241484 /nfs/dbraw/zinc/24/14/84/745241484.db2.gz FETITBAOCXZSQQ-UMVBOHGHSA-N 1 2 334.420 0.145 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccn2C)[C@H](OC)C1 ZINC001211857230 745241486 /nfs/dbraw/zinc/24/14/86/745241486.db2.gz FETITBAOCXZSQQ-UMVBOHGHSA-N 1 2 334.420 0.145 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001029245082 745428773 /nfs/dbraw/zinc/42/87/73/745428773.db2.gz PAEPRRFFXISMEC-BARDWOONSA-N 1 2 339.461 0.646 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001029245082 745428778 /nfs/dbraw/zinc/42/87/78/745428778.db2.gz PAEPRRFFXISMEC-BARDWOONSA-N 1 2 339.461 0.646 20 30 ECEDLO CCc1nocc1C[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 ZINC001083414149 745531412 /nfs/dbraw/zinc/53/14/12/745531412.db2.gz OQAQEWCZWPXYSM-CABCVRRESA-N 1 2 329.360 0.412 20 30 ECEDLO CCc1nocc1C[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](O)C1 ZINC001083414149 745531415 /nfs/dbraw/zinc/53/14/15/745531415.db2.gz OQAQEWCZWPXYSM-CABCVRRESA-N 1 2 329.360 0.412 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3ccncc3)[C@@H](O)C2)s1 ZINC001083309460 745590471 /nfs/dbraw/zinc/59/04/71/745590471.db2.gz YNVWTICSPYGOAZ-CABCVRRESA-N 1 2 328.397 0.990 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)c3ccncc3)[C@@H](O)C2)s1 ZINC001083309460 745590477 /nfs/dbraw/zinc/59/04/77/745590477.db2.gz YNVWTICSPYGOAZ-CABCVRRESA-N 1 2 328.397 0.990 20 30 ECEDLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000984092834 745806616 /nfs/dbraw/zinc/80/66/16/745806616.db2.gz HBSXSTOCJKYFDF-AWEZNQCLSA-N 1 2 340.387 0.915 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2C(=O)Cc2c[nH+]c[nH]2)nc1 ZINC000978109432 745917328 /nfs/dbraw/zinc/91/73/28/745917328.db2.gz SJRRRTBWHOKMDI-OAHLLOKOSA-N 1 2 337.383 0.702 20 30 ECEDLO N#Cc1cnccc1N[C@H]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001059331443 745971052 /nfs/dbraw/zinc/97/10/52/745971052.db2.gz WSMMXGZFKRCZRC-BPLDGKMQSA-N 1 2 336.399 0.893 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)Cc3cncnc3)[C@@H](O)C2)s1 ZINC001083433101 752050511 /nfs/dbraw/zinc/05/05/11/752050511.db2.gz VOZORMZFCXDSGV-CABCVRRESA-N 1 2 343.412 0.314 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)Cc3cncnc3)[C@@H](O)C2)s1 ZINC001083433101 752050516 /nfs/dbraw/zinc/05/05/16/752050516.db2.gz VOZORMZFCXDSGV-CABCVRRESA-N 1 2 343.412 0.314 20 30 ECEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001001099072 746073773 /nfs/dbraw/zinc/07/37/73/746073773.db2.gz FGAKQLWZZLGHHE-LLVKDONJSA-N 1 2 343.225 0.325 20 30 ECEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001001099072 746073777 /nfs/dbraw/zinc/07/37/77/746073777.db2.gz FGAKQLWZZLGHHE-LLVKDONJSA-N 1 2 343.225 0.325 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NCC2CN(C(=O)CCc3[nH]cc[nH+]3)C2)c1 ZINC001001340096 746290283 /nfs/dbraw/zinc/29/02/83/746290283.db2.gz DMDYWVUHQBQYGB-UHFFFAOYSA-N 1 2 326.360 0.430 20 30 ECEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 ZINC001001366640 746312896 /nfs/dbraw/zinc/31/28/96/746312896.db2.gz OKLSVAVSOQZUQD-UHFFFAOYSA-N 1 2 348.794 0.532 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cc(=O)n3[nH]cnc3n2)CC1 ZINC001001366640 746312901 /nfs/dbraw/zinc/31/29/01/746312901.db2.gz OKLSVAVSOQZUQD-UHFFFAOYSA-N 1 2 348.794 0.532 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cn1cc[nH+]c1 ZINC000978431212 746315202 /nfs/dbraw/zinc/31/52/02/746315202.db2.gz IBZHQCUVIKCTEP-ZNMIVQPWSA-N 1 2 332.404 0.534 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]c4cccnc34)C2)nn1 ZINC001105361136 752087963 /nfs/dbraw/zinc/08/79/63/752087963.db2.gz ROXVRBFMOULOER-UHFFFAOYSA-N 1 2 349.398 0.964 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001001485204 746423581 /nfs/dbraw/zinc/42/35/81/746423581.db2.gz SRKXECZWRRUOKG-NSHDSACASA-N 1 2 340.387 0.676 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001001485204 746423584 /nfs/dbraw/zinc/42/35/84/746423584.db2.gz SRKXECZWRRUOKG-NSHDSACASA-N 1 2 340.387 0.676 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C=C2CCCCC2)[C@H](OC)C1 ZINC001211954123 752099013 /nfs/dbraw/zinc/09/90/13/752099013.db2.gz HMHQSSPZRSICIY-DJIMGWMZSA-N 1 2 347.459 0.830 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C=C2CCCCC2)[C@H](OC)C1 ZINC001211954123 752099019 /nfs/dbraw/zinc/09/90/19/752099019.db2.gz HMHQSSPZRSICIY-DJIMGWMZSA-N 1 2 347.459 0.830 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000984566811 746637948 /nfs/dbraw/zinc/63/79/48/746637948.db2.gz KPLJRGMEGULAQK-KFWWJZLASA-N 1 2 346.431 0.993 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](CC(=O)Nc3cnccn3)CC[C@@H]2C1 ZINC001087911528 746646131 /nfs/dbraw/zinc/64/61/31/746646131.db2.gz YMEXPBMNMWIPMA-MCIONIFRSA-N 1 2 342.403 0.355 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](CC(=O)Nc3cnccn3)CC[C@@H]2C1 ZINC001087911528 746646133 /nfs/dbraw/zinc/64/61/33/746646133.db2.gz YMEXPBMNMWIPMA-MCIONIFRSA-N 1 2 342.403 0.355 20 30 ECEDLO Cn1nnnc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1 ZINC001087925671 746670557 /nfs/dbraw/zinc/67/05/57/746670557.db2.gz YUYUXNUSLJEURS-OLZOCXBDSA-N 1 2 340.391 0.004 20 30 ECEDLO Cn1nnnc1C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C1 ZINC001087925671 746670560 /nfs/dbraw/zinc/67/05/60/746670560.db2.gz YUYUXNUSLJEURS-OLZOCXBDSA-N 1 2 340.391 0.004 20 30 ECEDLO COCCN(CCNC(=O)CCc1c[nH]c[nH+]1)c1ccc(C#N)cn1 ZINC001126561034 746707281 /nfs/dbraw/zinc/70/72/81/746707281.db2.gz AOKAKIBDRVNIRG-UHFFFAOYSA-N 1 2 342.403 0.878 20 30 ECEDLO COCCN(CCNC(=O)CCc1c[nH+]c[nH]1)c1ccc(C#N)cn1 ZINC001126561034 746707285 /nfs/dbraw/zinc/70/72/85/746707285.db2.gz AOKAKIBDRVNIRG-UHFFFAOYSA-N 1 2 342.403 0.878 20 30 ECEDLO C=CCCCC(=O)N1CC[C@@H](n2cc(C[NH2+][C@@H](C)C(=O)NC)nn2)C1 ZINC001098710685 746710567 /nfs/dbraw/zinc/71/05/67/746710567.db2.gz JJXJLYTYTFOEBW-DZGCQCFKSA-N 1 2 348.451 0.632 20 30 ECEDLO COCCN(CCNC(=O)CCc1c[nH]c[nH+]1)c1ncccc1C#N ZINC001126562320 746738225 /nfs/dbraw/zinc/73/82/25/746738225.db2.gz ZQPNMLDTXGOAHL-UHFFFAOYSA-N 1 2 342.403 0.878 20 30 ECEDLO COCCN(CCNC(=O)CCc1c[nH+]c[nH]1)c1ncccc1C#N ZINC001126562320 746738231 /nfs/dbraw/zinc/73/82/31/746738231.db2.gz ZQPNMLDTXGOAHL-UHFFFAOYSA-N 1 2 342.403 0.878 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)/C(C)=C/CC)[C@H](OC)C2)C1=O ZINC001211967608 752133201 /nfs/dbraw/zinc/13/32/01/752133201.db2.gz NSUYWDYPBVXZIE-MYSFTUOFSA-N 1 2 335.448 0.945 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)/C(C)=C/CC)[C@H](OC)C2)C1=O ZINC001211967608 752133203 /nfs/dbraw/zinc/13/32/03/752133203.db2.gz NSUYWDYPBVXZIE-MYSFTUOFSA-N 1 2 335.448 0.945 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[C@@H](CCNC(=O)Cn3cc[nH+]c3)C2)[nH]1 ZINC001059489101 747387683 /nfs/dbraw/zinc/38/76/83/747387683.db2.gz IOFSDJWERAZYST-CYBMUJFWSA-N 1 2 340.387 0.751 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N2CCC2)cn1 ZINC001029558466 747497462 /nfs/dbraw/zinc/49/74/62/747497462.db2.gz HHJBSLZSGJUKQY-CALCHBBNSA-N 1 2 338.411 0.584 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N2CCC2)cn1 ZINC001029558466 747497466 /nfs/dbraw/zinc/49/74/66/747497466.db2.gz HHJBSLZSGJUKQY-CALCHBBNSA-N 1 2 338.411 0.584 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C3=CCOCC3)[C@@H](O)C2)s1 ZINC001083422997 747519334 /nfs/dbraw/zinc/51/93/34/747519334.db2.gz ZHVRCKLOFLOKQV-CABCVRRESA-N 1 2 333.413 0.628 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C3=CCOCC3)[C@@H](O)C2)s1 ZINC001083422997 747519337 /nfs/dbraw/zinc/51/93/37/747519337.db2.gz ZHVRCKLOFLOKQV-CABCVRRESA-N 1 2 333.413 0.628 20 30 ECEDLO C[C@H]([NH2+]Cc1cnsn1)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979284652 747533492 /nfs/dbraw/zinc/53/34/92/747533492.db2.gz ZNFVMTUWCOFAMF-IINYFYTJSA-N 1 2 346.416 0.757 20 30 ECEDLO C[C@@H]([NH2+]Cc1csnn1)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979300079 747542844 /nfs/dbraw/zinc/54/28/44/747542844.db2.gz ZOZJMANFIZDAPE-QMTHXVAHSA-N 1 2 346.416 0.757 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2cnns2)C1=O ZINC001027771643 747583922 /nfs/dbraw/zinc/58/39/22/747583922.db2.gz CADSQDDYKVNZLP-VXGBXAGGSA-N 1 2 335.433 0.519 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)c2cnns2)C1=O ZINC001027771643 747583929 /nfs/dbraw/zinc/58/39/29/747583929.db2.gz CADSQDDYKVNZLP-VXGBXAGGSA-N 1 2 335.433 0.519 20 30 ECEDLO Cn1ncnc1C[N@H+](C)C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000985383961 747854806 /nfs/dbraw/zinc/85/48/06/747854806.db2.gz DRDCUESHLNNXFL-UHFFFAOYSA-N 1 2 327.392 0.751 20 30 ECEDLO Cn1ncnc1C[N@@H+](C)C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000985383961 747854814 /nfs/dbraw/zinc/85/48/14/747854814.db2.gz DRDCUESHLNNXFL-UHFFFAOYSA-N 1 2 327.392 0.751 20 30 ECEDLO N#CCN1CC[C@@H](OCC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001088239918 747934832 /nfs/dbraw/zinc/93/48/32/747934832.db2.gz KUCCMFDTMQTKFP-OAHLLOKOSA-N 1 2 331.420 0.805 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H](C[N@H+](C)Cc2nnc3n2CCOC3)C1 ZINC001029676873 748039419 /nfs/dbraw/zinc/03/94/19/748039419.db2.gz GZBFIUNAVBWHNB-QWHCGFSZSA-N 1 2 332.408 0.248 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H](C[N@@H+](C)Cc2nnc3n2CCOC3)C1 ZINC001029676873 748039426 /nfs/dbraw/zinc/03/94/26/748039426.db2.gz GZBFIUNAVBWHNB-QWHCGFSZSA-N 1 2 332.408 0.248 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)n[nH]c3C)C2)nn1 ZINC001105344221 748289461 /nfs/dbraw/zinc/28/94/61/748289461.db2.gz SVNYMJXOJVDABY-UHFFFAOYSA-N 1 2 327.392 0.428 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001003296951 748391605 /nfs/dbraw/zinc/39/16/05/748391605.db2.gz UFUSPCQQWGUEFH-XJKSGUPXSA-N 1 2 348.447 0.222 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001003296951 748391610 /nfs/dbraw/zinc/39/16/10/748391610.db2.gz UFUSPCQQWGUEFH-XJKSGUPXSA-N 1 2 348.447 0.222 20 30 ECEDLO N#CCSCC(=O)NCC[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001059560968 748426557 /nfs/dbraw/zinc/42/65/57/748426557.db2.gz RMTPICPFRWMHFX-ZDUSSCGKSA-N 1 2 349.460 0.954 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1OC ZINC001211992032 752295214 /nfs/dbraw/zinc/29/52/14/752295214.db2.gz ACVDNHMYIRKNLG-NUEKZKHPSA-N 1 2 336.436 0.717 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2nnc(C)[nH]2)C1 ZINC001029846132 748768301 /nfs/dbraw/zinc/76/83/01/748768301.db2.gz ZRQKIJJJEKQKOO-KFWWJZLASA-N 1 2 333.436 0.985 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2nnc(C)[nH]2)C1 ZINC001029846132 748768303 /nfs/dbraw/zinc/76/83/03/748768303.db2.gz ZRQKIJJJEKQKOO-KFWWJZLASA-N 1 2 333.436 0.985 20 30 ECEDLO CC(C)C#CC(=O)N1CC[C@@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001059611353 748796951 /nfs/dbraw/zinc/79/69/51/748796951.db2.gz SGAWTVSWSWVPMV-OAHLLOKOSA-N 1 2 330.432 0.977 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)Cc3ncn[nH]3)CC2)C1=O ZINC000985743415 748993419 /nfs/dbraw/zinc/99/34/19/748993419.db2.gz NXPXOVCSJBYMKQ-CQSZACIVSA-N 1 2 346.435 0.057 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)Cc3ncn[nH]3)CC2)C1=O ZINC000985743415 748993427 /nfs/dbraw/zinc/99/34/27/748993427.db2.gz NXPXOVCSJBYMKQ-CQSZACIVSA-N 1 2 346.435 0.057 20 30 ECEDLO Cc1nsc(NC[C@H](O)CNC(=O)CCc2[nH]cc[nH+]2)c1C#N ZINC001105804081 761916291 /nfs/dbraw/zinc/91/62/91/761916291.db2.gz KCCVJMPXLFYJEE-SNVBAGLBSA-N 1 2 334.405 0.568 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3cscn3)CC2)CC1 ZINC000985825304 749181821 /nfs/dbraw/zinc/18/18/21/749181821.db2.gz MRNDCDRBARUMJL-UHFFFAOYSA-N 1 2 349.460 0.825 20 30 ECEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001027918714 749408351 /nfs/dbraw/zinc/40/83/51/749408351.db2.gz RWHPPPHZHPOMGY-NWDGAFQWSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001027918714 749408352 /nfs/dbraw/zinc/40/83/52/749408352.db2.gz RWHPPPHZHPOMGY-NWDGAFQWSA-N 1 2 344.253 0.954 20 30 ECEDLO C[C@H]1[C@@H]([NH2+]Cc2nc(N(C)C)no2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000986186675 749645033 /nfs/dbraw/zinc/64/50/33/749645033.db2.gz QSLQVJVLGOERJF-JQWIXIFHSA-N 1 2 343.391 0.728 20 30 ECEDLO COCc1noc(C[NH2+][C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@H]2C)n1 ZINC000986188203 749646655 /nfs/dbraw/zinc/64/66/55/749646655.db2.gz UBXYTJOIXWWGOH-CMPLNLGQSA-N 1 2 344.375 0.809 20 30 ECEDLO CN1CC(=O)N(CC(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)C1=O ZINC001004621769 749699185 /nfs/dbraw/zinc/69/91/85/749699185.db2.gz JXGKYELVYSALFL-CQSZACIVSA-N 1 2 347.419 0.107 20 30 ECEDLO CN1CC(=O)N(CC(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)C1=O ZINC001004621769 749699186 /nfs/dbraw/zinc/69/91/86/749699186.db2.gz JXGKYELVYSALFL-CQSZACIVSA-N 1 2 347.419 0.107 20 30 ECEDLO C[C@@H]1[C@@H]([NH2+]Cc2nnn(C(C)(C)C)n2)CCN1C(=O)C#CC1CC1 ZINC000986287435 749755502 /nfs/dbraw/zinc/75/55/02/749755502.db2.gz RMQRPKFUKGAVJO-OCCSQVGLSA-N 1 2 330.436 0.921 20 30 ECEDLO C[C@H]1[C@H]([NH2+]Cc2nnn(C(C)(C)C)n2)CCN1C(=O)C#CC1CC1 ZINC000986287425 749755896 /nfs/dbraw/zinc/75/58/96/749755896.db2.gz RMQRPKFUKGAVJO-GXTWGEPZSA-N 1 2 330.436 0.921 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccc(OC)c3F)C2)nn1 ZINC001105347640 750320528 /nfs/dbraw/zinc/32/05/28/750320528.db2.gz JELSACJBGQAOEX-UHFFFAOYSA-N 1 2 343.362 0.846 20 30 ECEDLO CC[C@@]1(C)C[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105351819 750465304 /nfs/dbraw/zinc/46/53/04/750465304.db2.gz KJBRRYDHYCVPQF-AEFFLSMTSA-N 1 2 345.447 0.837 20 30 ECEDLO COCCN(CCNC(=O)CCc1[nH]cc[nH+]1)c1ccncc1C#N ZINC001126308544 750569938 /nfs/dbraw/zinc/56/99/38/750569938.db2.gz VMZYNHPKGYBXCV-UHFFFAOYSA-N 1 2 342.403 0.878 20 30 ECEDLO COCCN(CCNC(=O)CCc1[nH]cc[nH+]1)c1ncccc1C#N ZINC001126308576 750573763 /nfs/dbraw/zinc/57/37/63/750573763.db2.gz XJROWCFIOATAPZ-UHFFFAOYSA-N 1 2 342.403 0.878 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2COC(=O)N2)[C@H]1C ZINC001088549753 750630449 /nfs/dbraw/zinc/63/04/49/750630449.db2.gz CKASXFHXNCLFLX-KXUCPTDWSA-N 1 2 332.198 0.582 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2COC(=O)N2)[C@H]1C ZINC001088549753 750630452 /nfs/dbraw/zinc/63/04/52/750630452.db2.gz CKASXFHXNCLFLX-KXUCPTDWSA-N 1 2 332.198 0.582 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]c[nH]2)c1 ZINC001005972896 750869839 /nfs/dbraw/zinc/86/98/39/750869839.db2.gz AFADLOAWCUNIRZ-ZACQAIPSSA-N 1 2 349.394 0.890 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCO[C@H](CC)C3)C2)nn1 ZINC001105357819 751003435 /nfs/dbraw/zinc/00/34/35/751003435.db2.gz KRFCCAJAOWMPHP-WMLDXEAASA-N 1 2 345.447 0.980 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3n[nH]nc3C)CC2)C1=O ZINC000981731052 751027879 /nfs/dbraw/zinc/02/78/79/751027879.db2.gz YMZSWWZBYSTPMA-ZDUSSCGKSA-N 1 2 332.408 0.048 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3n[nH]nc3C)CC2)C1=O ZINC000981731052 751027886 /nfs/dbraw/zinc/02/78/86/751027886.db2.gz YMZSWWZBYSTPMA-ZDUSSCGKSA-N 1 2 332.408 0.048 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000987647327 751052730 /nfs/dbraw/zinc/05/27/30/751052730.db2.gz PVVSEBZDJLPVDJ-MFKMUULPSA-N 1 2 326.360 0.571 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCNC3=O)CC2)cc1F ZINC000981746952 751066794 /nfs/dbraw/zinc/06/67/94/751066794.db2.gz SUKPENGAYVICKD-OAHLLOKOSA-N 1 2 344.390 0.868 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCNC3=O)CC2)cc1F ZINC000981746952 751066802 /nfs/dbraw/zinc/06/68/02/751066802.db2.gz SUKPENGAYVICKD-OAHLLOKOSA-N 1 2 344.390 0.868 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001059819230 751070523 /nfs/dbraw/zinc/07/05/23/751070523.db2.gz GPKWUXSCCDFWGI-GJZGRUSLSA-N 1 2 346.431 0.735 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001059819230 751070527 /nfs/dbraw/zinc/07/05/27/751070527.db2.gz GPKWUXSCCDFWGI-GJZGRUSLSA-N 1 2 346.431 0.735 20 30 ECEDLO C#CC[N@H+]1CCCC2(CN(C(=O)CS(=O)(=O)C3CCCC3)C2)C1 ZINC000981842747 751183207 /nfs/dbraw/zinc/18/32/07/751183207.db2.gz KKLKACKTDLWBFQ-UHFFFAOYSA-N 1 2 338.473 0.901 20 30 ECEDLO C#CC[N@@H+]1CCCC2(CN(C(=O)CS(=O)(=O)C3CCCC3)C2)C1 ZINC000981842747 751183208 /nfs/dbraw/zinc/18/32/08/751183208.db2.gz KKLKACKTDLWBFQ-UHFFFAOYSA-N 1 2 338.473 0.901 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC2(C1)CCC[N@@H+](Cc1nc(=O)n(C)[nH]1)C2 ZINC000981937887 751305047 /nfs/dbraw/zinc/30/50/47/751305047.db2.gz PQYKAKAJECKDIU-UHFFFAOYSA-N 1 2 333.436 0.745 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC2(C1)CCC[N@H+](Cc1nc(=O)n(C)[nH]1)C2 ZINC000981937887 751305054 /nfs/dbraw/zinc/30/50/54/751305054.db2.gz PQYKAKAJECKDIU-UHFFFAOYSA-N 1 2 333.436 0.745 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCCC(=O)NCC)C2)nn1 ZINC001105365367 752445552 /nfs/dbraw/zinc/44/55/52/752445552.db2.gz NWCOGEWKKFOKMH-UHFFFAOYSA-N 1 2 346.435 0.081 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3[nH]cnc3C)C2)nn1 ZINC001105366477 752462735 /nfs/dbraw/zinc/46/27/35/752462735.db2.gz RLKPVPIVXHFPFU-UHFFFAOYSA-N 1 2 327.392 0.049 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC2CCC2)[C@H](OC)C1 ZINC001212098982 752735683 /nfs/dbraw/zinc/73/56/83/752735683.db2.gz UQSIJHCMXDWQRV-NUEKZKHPSA-N 1 2 335.448 0.520 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC2CCC2)[C@H](OC)C1 ZINC001212098982 752735686 /nfs/dbraw/zinc/73/56/86/752735686.db2.gz UQSIJHCMXDWQRV-NUEKZKHPSA-N 1 2 335.448 0.520 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)CCO2 ZINC001007685084 752786559 /nfs/dbraw/zinc/78/65/59/752786559.db2.gz MUXCGORUQLCAKM-SFHVURJKSA-N 1 2 346.431 0.994 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)C#N)CCO2 ZINC001007691410 752799231 /nfs/dbraw/zinc/79/92/31/752799231.db2.gz OODHFUCCRBNBEI-PXAZEXFGSA-N 1 2 345.403 0.250 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](CC(=O)Nc3ccon3)C2)[nH]1 ZINC001028486683 752807219 /nfs/dbraw/zinc/80/72/19/752807219.db2.gz JGMWXTZVFPILLB-LLVKDONJSA-N 1 2 342.359 0.565 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CC(=O)Nc3ccon3)C2)[nH]1 ZINC001028486683 752807221 /nfs/dbraw/zinc/80/72/21/752807221.db2.gz JGMWXTZVFPILLB-LLVKDONJSA-N 1 2 342.359 0.565 20 30 ECEDLO Cn1ccc(CC(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)n1 ZINC001083455323 752825366 /nfs/dbraw/zinc/82/53/66/752825366.db2.gz YIAPOQKNGMVKPU-MSOLQXFVSA-N 1 2 338.411 0.176 20 30 ECEDLO Cn1ccc(CC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)n1 ZINC001083455323 752825374 /nfs/dbraw/zinc/82/53/74/752825374.db2.gz YIAPOQKNGMVKPU-MSOLQXFVSA-N 1 2 338.411 0.176 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](Cc3ncnn3CCF)C2)[nH]1 ZINC001028489785 752828011 /nfs/dbraw/zinc/82/80/11/752828011.db2.gz BKCKLIUHEGBBQQ-GFCCVEGCSA-N 1 2 345.382 0.699 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](Cc3ncnn3CCF)C2)[nH]1 ZINC001028489785 752828019 /nfs/dbraw/zinc/82/80/19/752828019.db2.gz BKCKLIUHEGBBQQ-GFCCVEGCSA-N 1 2 345.382 0.699 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)CN(C(=O)CCn1cc[nH+]c1)CCO2 ZINC001007716996 752853908 /nfs/dbraw/zinc/85/39/08/752853908.db2.gz KFADGZSOPDXZPI-YOEHRIQHSA-N 1 2 345.403 0.263 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000982696920 753333658 /nfs/dbraw/zinc/33/36/58/753333658.db2.gz SFKPRDAHUHUWKH-ZNMIVQPWSA-N 1 2 346.431 0.898 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3sc(C)nc3C)C2)nn1 ZINC001105370954 753393032 /nfs/dbraw/zinc/39/30/32/753393032.db2.gz BZYOFGKGHHDLAF-UHFFFAOYSA-N 1 2 330.417 0.771 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)c(F)c1 ZINC001008369830 753666126 /nfs/dbraw/zinc/66/61/26/753666126.db2.gz DOOBIENEWGLPOO-UKRRQHHQSA-N 1 2 345.378 0.459 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3CNC(=O)N3)C2)c(F)c1 ZINC001008369830 753666133 /nfs/dbraw/zinc/66/61/33/753666133.db2.gz DOOBIENEWGLPOO-UKRRQHHQSA-N 1 2 345.378 0.459 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCOc3ccccc3)C2)nn1 ZINC001105372661 753678847 /nfs/dbraw/zinc/67/88/47/753678847.db2.gz RKUBGADOJFLXRN-UHFFFAOYSA-N 1 2 339.399 0.853 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3cn(C)nc3C)C2)nn1 ZINC001098682911 753688913 /nfs/dbraw/zinc/68/89/13/753688913.db2.gz KCIXAWVUMVOFQX-INIZCTEOSA-N 1 2 341.419 0.059 20 30 ECEDLO C[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@H]2C2(CNCC#N)CCC2)C1 ZINC001105523214 753785722 /nfs/dbraw/zinc/78/57/22/753785722.db2.gz SOTZWKHCAFWHGC-HOTGVXAUSA-N 1 2 334.464 0.982 20 30 ECEDLO C[N@H+]1CCO[C@H](C(=O)N2CCCC[C@H]2C2(CNCC#N)CCC2)C1 ZINC001105523214 753785725 /nfs/dbraw/zinc/78/57/25/753785725.db2.gz SOTZWKHCAFWHGC-HOTGVXAUSA-N 1 2 334.464 0.982 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CN2CC(=O)N(C)C2=O)CC1 ZINC000989472979 753999547 /nfs/dbraw/zinc/99/95/47/753999547.db2.gz RAGCEBCHYCIOHG-UHFFFAOYSA-N 1 2 328.800 0.167 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CN2CC(=O)N(C)C2=O)CC1 ZINC000989472979 753999556 /nfs/dbraw/zinc/99/95/56/753999556.db2.gz RAGCEBCHYCIOHG-UHFFFAOYSA-N 1 2 328.800 0.167 20 30 ECEDLO C#CCOc1ncccc1C(=O)N1CCC[N@@H+]([C@@H](CC)C(N)=O)CC1 ZINC000989508921 754052708 /nfs/dbraw/zinc/05/27/08/754052708.db2.gz YEHWOIRMDNIIHS-HNNXBMFYSA-N 1 2 344.415 0.505 20 30 ECEDLO C#CCOc1ncccc1C(=O)N1CCC[N@H+]([C@@H](CC)C(N)=O)CC1 ZINC000989508921 754052713 /nfs/dbraw/zinc/05/27/13/754052713.db2.gz YEHWOIRMDNIIHS-HNNXBMFYSA-N 1 2 344.415 0.505 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)nn1 ZINC001008793380 754124527 /nfs/dbraw/zinc/12/45/27/754124527.db2.gz IXKZYXXNWLEITQ-AWEZNQCLSA-N 1 2 329.408 0.592 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)nn1 ZINC001008793380 754124530 /nfs/dbraw/zinc/12/45/30/754124530.db2.gz IXKZYXXNWLEITQ-AWEZNQCLSA-N 1 2 329.408 0.592 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)c[nH]1 ZINC000982936454 754244647 /nfs/dbraw/zinc/24/46/47/754244647.db2.gz VULNKEVPBPNYAE-LBPRGKRZSA-N 1 2 326.360 0.361 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)c[nH]1 ZINC001008961422 754362327 /nfs/dbraw/zinc/36/23/27/754362327.db2.gz FYOXXBVDXLCQCT-ZSOGYDGISA-N 1 2 338.371 0.286 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)c[nH]1 ZINC000983034441 754478522 /nfs/dbraw/zinc/47/85/22/754478522.db2.gz UTPDEBPDNWEWTK-ZDUSSCGKSA-N 1 2 340.387 0.751 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](Nc2nccnc2C#N)C1 ZINC001059087857 754593584 /nfs/dbraw/zinc/59/35/84/754593584.db2.gz BXNWGIDXRCKLHI-RYUDHWBXSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](Nc2nccnc2C#N)C1 ZINC001059087857 754593590 /nfs/dbraw/zinc/59/35/90/754593590.db2.gz BXNWGIDXRCKLHI-RYUDHWBXSA-N 1 2 325.376 0.963 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)c[nH]1 ZINC000983186148 754814192 /nfs/dbraw/zinc/81/41/92/754814192.db2.gz SVGRUQXSTURFDV-LLVKDONJSA-N 1 2 326.360 0.430 20 30 ECEDLO CN(CCCN(C)c1nccnc1C#N)C(=O)Cc1c[nH+]cn1C ZINC001112107828 762347290 /nfs/dbraw/zinc/34/72/90/762347290.db2.gz KPTHVAFGLSVTPQ-UHFFFAOYSA-N 1 2 327.392 0.609 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CC[N@@H+]([C@H](C)c3nnnn3C)C2)c1 ZINC001028792922 755141845 /nfs/dbraw/zinc/14/18/45/755141845.db2.gz PDLATWYLEZGIBR-TZMCWYRMSA-N 1 2 339.403 0.399 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CC[N@H+]([C@H](C)c3nnnn3C)C2)c1 ZINC001028792922 755141848 /nfs/dbraw/zinc/14/18/48/755141848.db2.gz PDLATWYLEZGIBR-TZMCWYRMSA-N 1 2 339.403 0.399 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3nnc(CC)o3)C2)nn1 ZINC001028852283 755310269 /nfs/dbraw/zinc/31/02/69/755310269.db2.gz IERGRDFFBMKGQB-GFCCVEGCSA-N 1 2 345.407 0.661 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3nnc(CC)o3)C2)nn1 ZINC001028852283 755310273 /nfs/dbraw/zinc/31/02/73/755310273.db2.gz IERGRDFFBMKGQB-GFCCVEGCSA-N 1 2 345.407 0.661 20 30 ECEDLO CC#CC[NH+]1CCC2(CC1)CN(C(=O)Cc1ncn[nH]1)C[C@H](C)O2 ZINC001098653374 755322152 /nfs/dbraw/zinc/32/21/52/755322152.db2.gz MSVXNVBRPLULLR-AWEZNQCLSA-N 1 2 331.420 0.452 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001098653469 755331300 /nfs/dbraw/zinc/33/13/00/755331300.db2.gz SXRZNAVORPKEIB-HNNXBMFYSA-N 1 2 337.387 0.678 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)c[nH]1 ZINC000983365106 755409621 /nfs/dbraw/zinc/40/96/21/755409621.db2.gz PNFRKUMIZXCLNS-NSHDSACASA-N 1 2 326.360 0.430 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](C)n3cccc3)C2)nn1 ZINC001098656684 755691481 /nfs/dbraw/zinc/69/14/81/755691481.db2.gz QWPCMMRATWTAGK-HOCLYGCPSA-N 1 2 326.404 0.837 20 30 ECEDLO C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)NC(=O)CCc1[nH+]ccn1C ZINC001076071756 756057666 /nfs/dbraw/zinc/05/76/66/756057666.db2.gz XDTYCMVRERPQMQ-LBPRGKRZSA-N 1 2 342.403 0.877 20 30 ECEDLO C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)CCn1cc[nH+]c1 ZINC001076182910 756180491 /nfs/dbraw/zinc/18/04/91/756180491.db2.gz DFXZDHVCKMGWAR-LBPRGKRZSA-N 1 2 328.376 0.798 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cnnn4C)C[C@H]32)c1 ZINC001076223367 756234779 /nfs/dbraw/zinc/23/47/79/756234779.db2.gz VONUEZAWRVDQAK-WMLDXEAASA-N 1 2 336.399 0.538 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H]3C[N@H+](Cc4cnnn4C)C[C@H]32)c1 ZINC001076223367 756234783 /nfs/dbraw/zinc/23/47/83/756234783.db2.gz VONUEZAWRVDQAK-WMLDXEAASA-N 1 2 336.399 0.538 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)CN3CN=NC3=O)C2)c1 ZINC001010695963 756410119 /nfs/dbraw/zinc/41/01/19/756410119.db2.gz FPFGPUIMAMHSEP-CYBMUJFWSA-N 1 2 344.350 0.385 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)CN3CN=NC3=O)C2)c1 ZINC001010695963 756410120 /nfs/dbraw/zinc/41/01/20/756410120.db2.gz FPFGPUIMAMHSEP-CYBMUJFWSA-N 1 2 344.350 0.385 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001076496959 756568470 /nfs/dbraw/zinc/56/84/70/756568470.db2.gz IUNGWHQAFZWTHM-ZFWWWQNUSA-N 1 2 349.435 0.365 20 30 ECEDLO Cn1nncc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010823695 756571551 /nfs/dbraw/zinc/57/15/51/756571551.db2.gz QPJOTBUJMKAJSO-CYBMUJFWSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1nncc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001010823695 756571556 /nfs/dbraw/zinc/57/15/56/756571556.db2.gz QPJOTBUJMKAJSO-CYBMUJFWSA-N 1 2 328.351 0.830 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3ccnn3C)C2)nn1 ZINC001098664499 756685816 /nfs/dbraw/zinc/68/58/16/756685816.db2.gz OPFDCKTUGRIOBB-MRXNPFEDSA-N 1 2 341.419 0.141 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccc3F)C2)C1=O ZINC001076688055 756855767 /nfs/dbraw/zinc/85/57/67/756855767.db2.gz XVGIILMKBWOBGP-OWCLPIDISA-N 1 2 347.390 0.388 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccc3F)C2)C1=O ZINC001076688055 756855772 /nfs/dbraw/zinc/85/57/72/756855772.db2.gz XVGIILMKBWOBGP-OWCLPIDISA-N 1 2 347.390 0.388 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCN(C(=O)C#CC3CC3)CC1)C2 ZINC001011110696 756940778 /nfs/dbraw/zinc/94/07/78/756940778.db2.gz LCNNJLLKOSNFNB-HNNXBMFYSA-N 1 2 340.427 0.907 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCN(C(=O)C#CC3CC3)CC1)CC2 ZINC001011110696 756940785 /nfs/dbraw/zinc/94/07/85/756940785.db2.gz LCNNJLLKOSNFNB-HNNXBMFYSA-N 1 2 340.427 0.907 20 30 ECEDLO N#Cc1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4nncs4)C[C@@H]3C2)c[nH]1 ZINC001048779239 756965892 /nfs/dbraw/zinc/96/58/92/756965892.db2.gz ROWPKWHLTAKNCF-TXEJJXNPSA-N 1 2 328.401 0.942 20 30 ECEDLO N#Cc1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4nncs4)C[C@@H]3C2)c[nH]1 ZINC001048779239 756965897 /nfs/dbraw/zinc/96/58/97/756965897.db2.gz ROWPKWHLTAKNCF-TXEJJXNPSA-N 1 2 328.401 0.942 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCCO2)C1 ZINC001076758641 756981084 /nfs/dbraw/zinc/98/10/84/756981084.db2.gz BKKWBRCBZKBKAY-BRWVUGGUSA-N 1 2 329.400 0.789 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCCO2)C1 ZINC001076758641 756981096 /nfs/dbraw/zinc/98/10/96/756981096.db2.gz BKKWBRCBZKBKAY-BRWVUGGUSA-N 1 2 329.400 0.789 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@H]3CCCCO3)nn2)C1 ZINC001107159950 757134791 /nfs/dbraw/zinc/13/47/91/757134791.db2.gz ZGZQZUDELPMTIF-MRXNPFEDSA-N 1 2 349.435 0.523 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C[C@H]3CCCCO3)nn2)C1 ZINC001107156996 757137151 /nfs/dbraw/zinc/13/71/51/757137151.db2.gz HWITWZZGVWXQHA-MRXNPFEDSA-N 1 2 331.420 0.734 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H](C)n3cncn3)nn2)C1 ZINC001107158845 757162589 /nfs/dbraw/zinc/16/25/89/757162589.db2.gz BOQOKQKKQUARTG-GFCCVEGCSA-N 1 2 330.396 0.180 20 30 ECEDLO CC(C)C#CC(=O)NCc1cn(C2C[NH+](C[C@@H]3CCCCO3)C2)nn1 ZINC001107169654 757207832 /nfs/dbraw/zinc/20/78/32/757207832.db2.gz PAGXNGPRIDFQID-KRWDZBQOSA-N 1 2 345.447 0.980 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nocc3C)C[C@@H]2C1 ZINC001048870255 757238841 /nfs/dbraw/zinc/23/88/41/757238841.db2.gz UZMLCBVRSLYUKD-JZXOWHBKSA-N 1 2 342.443 0.971 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nocc3C)C[C@@H]2C1 ZINC001048870255 757238845 /nfs/dbraw/zinc/23/88/45/757238845.db2.gz UZMLCBVRSLYUKD-JZXOWHBKSA-N 1 2 342.443 0.971 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)Cc3cnc(C)o3)nn2)C1 ZINC001107179532 757295948 /nfs/dbraw/zinc/29/59/48/757295948.db2.gz MASJKZTWVABQKG-UHFFFAOYSA-N 1 2 330.392 0.866 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C3(F)CCOCC3)nn2)C1 ZINC001107178441 757335571 /nfs/dbraw/zinc/33/55/71/757335571.db2.gz XWHBATOHARFLRU-UHFFFAOYSA-N 1 2 335.383 0.293 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCc3cncnc3)nn2)C1 ZINC001107185535 757360140 /nfs/dbraw/zinc/36/01/40/757360140.db2.gz XALZJBQEWVMTLP-UHFFFAOYSA-N 1 2 341.419 0.750 20 30 ECEDLO Cc1nsc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001076855578 757397966 /nfs/dbraw/zinc/39/79/66/757397966.db2.gz CNCFNXWMTVPCLU-HUUCEWRRSA-N 1 2 345.428 0.935 20 30 ECEDLO Cc1nsc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001076855578 757397979 /nfs/dbraw/zinc/39/79/79/757397979.db2.gz CNCFNXWMTVPCLU-HUUCEWRRSA-N 1 2 345.428 0.935 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCc3nc(C)no3)nn2)C1 ZINC001107191453 757445309 /nfs/dbraw/zinc/44/53/09/757445309.db2.gz WTQJAXIRZPSFOG-UHFFFAOYSA-N 1 2 345.407 0.651 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2COC(=O)C2)C1 ZINC001076883935 757458123 /nfs/dbraw/zinc/45/81/23/757458123.db2.gz DWDFKZSJDLOBSA-DAXOMENPSA-N 1 2 343.383 0.173 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2COC(=O)C2)C1 ZINC001076883935 757458128 /nfs/dbraw/zinc/45/81/28/757458128.db2.gz DWDFKZSJDLOBSA-DAXOMENPSA-N 1 2 343.383 0.173 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccc(C)o3)C2)C1=O ZINC001076900338 757540967 /nfs/dbraw/zinc/54/09/67/757540967.db2.gz JKYCAXOGEKTXFS-BZUAXINKSA-N 1 2 347.415 0.079 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3ccc(C)o3)C2)C1=O ZINC001076900338 757540971 /nfs/dbraw/zinc/54/09/71/757540971.db2.gz JKYCAXOGEKTXFS-BZUAXINKSA-N 1 2 347.415 0.079 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1O)C1=CCOCC1 ZINC001076919644 757595881 /nfs/dbraw/zinc/59/58/81/757595881.db2.gz XTWXKHISSRRDPD-QZTJIDSGSA-N 1 2 344.386 0.685 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1O)C1=CCOCC1 ZINC001076919644 757595888 /nfs/dbraw/zinc/59/58/88/757595888.db2.gz XTWXKHISSRRDPD-QZTJIDSGSA-N 1 2 344.386 0.685 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3coc(C)c3)C2)C1=O ZINC001076929012 757629722 /nfs/dbraw/zinc/62/97/22/757629722.db2.gz MPJSZWDEGAGIAP-QLFBSQMISA-N 1 2 333.388 0.150 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3coc(C)c3)C2)C1=O ZINC001076929012 757629729 /nfs/dbraw/zinc/62/97/29/757629729.db2.gz MPJSZWDEGAGIAP-QLFBSQMISA-N 1 2 333.388 0.150 20 30 ECEDLO Cn1[nH]c(C[N@@H+]2CC[C@H]3[C@H](CCCN3C(=O)C#CC3CC3)C2)nc1=O ZINC001021583145 757639426 /nfs/dbraw/zinc/63/94/26/757639426.db2.gz FKWPGJFZHPRWFJ-CABCVRRESA-N 1 2 343.431 0.335 20 30 ECEDLO Cn1[nH]c(C[N@H+]2CC[C@H]3[C@H](CCCN3C(=O)C#CC3CC3)C2)nc1=O ZINC001021583145 757639432 /nfs/dbraw/zinc/63/94/32/757639432.db2.gz FKWPGJFZHPRWFJ-CABCVRRESA-N 1 2 343.431 0.335 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3c(C)coc3C)C2)C1=O ZINC001076955291 757725338 /nfs/dbraw/zinc/72/53/38/757725338.db2.gz XDZZQWRQBKBTJP-QLFBSQMISA-N 1 2 347.415 0.458 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3c(C)coc3C)C2)C1=O ZINC001076955291 757725342 /nfs/dbraw/zinc/72/53/42/757725342.db2.gz XDZZQWRQBKBTJP-QLFBSQMISA-N 1 2 347.415 0.458 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H](CC)NC(C)=O)nn2)C1 ZINC001107213625 757776809 /nfs/dbraw/zinc/77/68/09/757776809.db2.gz FKAOPHCQAKMECJ-HNNXBMFYSA-N 1 2 334.424 0.242 20 30 ECEDLO C=C(Cl)CN1CC(n2cc(CNC(=O)Cc3c[nH]c[nH+]3)nn2)C1 ZINC001107214528 757780500 /nfs/dbraw/zinc/78/05/00/757780500.db2.gz WVDOHRKCUYGYCA-UHFFFAOYSA-N 1 2 335.799 0.469 20 30 ECEDLO Cn1ccc(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)n1 ZINC001076981934 757802012 /nfs/dbraw/zinc/80/20/12/757802012.db2.gz XGKDQJCXIODVPL-HUUCEWRRSA-N 1 2 345.428 0.257 20 30 ECEDLO Cn1ccc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)n1 ZINC001076981934 757802023 /nfs/dbraw/zinc/80/20/23/757802023.db2.gz XGKDQJCXIODVPL-HUUCEWRRSA-N 1 2 345.428 0.257 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCc3cn(C)nc3C)nn2)C1 ZINC001107217704 757823862 /nfs/dbraw/zinc/82/38/62/757823862.db2.gz WOFHGDYRPQUTKP-UHFFFAOYSA-N 1 2 343.435 0.612 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCO[C@@H]3C)nn2)C1 ZINC001107222831 757892452 /nfs/dbraw/zinc/89/24/52/757892452.db2.gz RLKHFDDCPYZMBJ-CZUORRHYSA-N 1 2 349.435 0.379 20 30 ECEDLO C=CCC1(C(=O)NCc2cn(C3C[NH+](CCO)C3)nn2)CCOCC1 ZINC001107231690 757948457 /nfs/dbraw/zinc/94/84/57/757948457.db2.gz LKXTYUBARMQOOU-UHFFFAOYSA-N 1 2 349.435 0.116 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1O ZINC001077019450 757951494 /nfs/dbraw/zinc/95/14/94/757951494.db2.gz VRYVDDLJRGCZDM-VQHPVUNQSA-N 1 2 331.416 0.724 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1O ZINC001077019450 757951497 /nfs/dbraw/zinc/95/14/97/757951497.db2.gz VRYVDDLJRGCZDM-VQHPVUNQSA-N 1 2 331.416 0.724 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C(=O)N3CC[C@@H](C)C3)nn2)C1 ZINC001107229848 757992922 /nfs/dbraw/zinc/99/29/22/757992922.db2.gz UDFAZQCTJDSAIK-CYBMUJFWSA-N 1 2 346.435 0.196 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCc3c(C)n[nH]c3C)nn2)C1 ZINC001107234606 758016645 /nfs/dbraw/zinc/01/66/45/758016645.db2.gz MDEJAKXAKLFGIO-UHFFFAOYSA-N 1 2 343.435 0.910 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)Cc3c(C)n[nH]c3C)nn2)C1 ZINC001107235207 758021854 /nfs/dbraw/zinc/02/18/54/758021854.db2.gz DNGYXURXSUQVPD-UHFFFAOYSA-N 1 2 329.408 0.520 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](C)OC[C@H]3CCCO3)nn2)C1 ZINC001107241095 758042834 /nfs/dbraw/zinc/04/28/34/758042834.db2.gz MHPFQYBQZOGMLV-XJKSGUPXSA-N 1 2 349.435 0.521 20 30 ECEDLO COCCc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)no1 ZINC001021946674 758089621 /nfs/dbraw/zinc/08/96/21/758089621.db2.gz PJLJAFQAOOEILC-TXEJJXNPSA-N 1 2 344.375 0.509 20 30 ECEDLO C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1O ZINC001049171221 758210604 /nfs/dbraw/zinc/21/06/04/758210604.db2.gz AMMUAHMDRPKDPP-STQMWFEESA-N 1 2 334.420 0.585 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H]1C ZINC001011660488 758231256 /nfs/dbraw/zinc/23/12/56/758231256.db2.gz ATOPDDNRHKKNHO-WCQYABFASA-N 1 2 340.387 0.880 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001077144006 758334640 /nfs/dbraw/zinc/33/46/40/758334640.db2.gz PCWLHLAGPZTACO-ZFWWWQNUSA-N 1 2 348.447 0.976 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C4CC4)CCC3)C2)C1=O ZINC001077460223 762626141 /nfs/dbraw/zinc/62/61/41/762626141.db2.gz UMBHFFNLRNTKCZ-BZUAXINKSA-N 1 2 347.459 0.515 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C4CC4)CCC3)C2)C1=O ZINC001077460223 762626145 /nfs/dbraw/zinc/62/61/45/762626145.db2.gz UMBHFFNLRNTKCZ-BZUAXINKSA-N 1 2 347.459 0.515 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)CCCn1cc[nH+]c1 ZINC001077171230 758423570 /nfs/dbraw/zinc/42/35/70/758423570.db2.gz RKXCUCFUYBLOGM-HNNXBMFYSA-N 1 2 334.420 0.714 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCN(c3[nH+]cnc4c3cnn4C)C[C@H]2C1 ZINC001049249068 758432833 /nfs/dbraw/zinc/43/28/33/758432833.db2.gz VFSMYRPDQYMQMU-UPJWGTAASA-N 1 2 339.403 0.808 20 30 ECEDLO N#Cc1cnc(NC/C=C\CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cn1 ZINC001107394613 758451676 /nfs/dbraw/zinc/45/16/76/758451676.db2.gz NKYIRQAHKCAQSP-UIIMQBOASA-N 1 2 337.387 0.892 20 30 ECEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)C[C@H]1O ZINC001077247464 758600506 /nfs/dbraw/zinc/60/05/06/758600506.db2.gz YTDRZZAHRDAWNL-QLFBSQMISA-N 1 2 347.415 0.290 20 30 ECEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]1O ZINC001077247464 758600511 /nfs/dbraw/zinc/60/05/11/758600511.db2.gz YTDRZZAHRDAWNL-QLFBSQMISA-N 1 2 347.415 0.290 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(=O)Nc1cnccn1 ZINC001049381180 758600889 /nfs/dbraw/zinc/60/08/89/758600889.db2.gz JJXFBVQDPNHEOL-MGPQQGTHSA-N 1 2 342.403 0.640 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(=O)Nc1cnccn1 ZINC001049381180 758600891 /nfs/dbraw/zinc/60/08/91/758600891.db2.gz JJXFBVQDPNHEOL-MGPQQGTHSA-N 1 2 342.403 0.640 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+](C[C@@H]2CCc3ncnn32)C1 ZINC001030332814 762648757 /nfs/dbraw/zinc/64/87/57/762648757.db2.gz QMSSIXUDFHOISD-ZNMIVQPWSA-N 1 2 331.420 0.547 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnnn3CC)C2)nn1 ZINC001098669039 758682687 /nfs/dbraw/zinc/68/26/87/758682687.db2.gz FTWLZQODHGTHSR-CQSZACIVSA-N 1 2 342.407 0.090 20 30 ECEDLO N#Cc1nccc(N2CC=C(CNC(=O)CCc3c[nH]c[nH+]3)CC2)n1 ZINC001127782387 758706973 /nfs/dbraw/zinc/70/69/73/758706973.db2.gz UZTAMSSLOGMYBD-UHFFFAOYSA-N 1 2 337.387 0.957 20 30 ECEDLO N#Cc1nccc(N2CC=C(CNC(=O)CCc3c[nH+]c[nH]3)CC2)n1 ZINC001127782387 758706976 /nfs/dbraw/zinc/70/69/76/758706976.db2.gz UZTAMSSLOGMYBD-UHFFFAOYSA-N 1 2 337.387 0.957 20 30 ECEDLO C=CCCC1(C(=O)N(C)[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2O)CC1 ZINC001049453406 758731611 /nfs/dbraw/zinc/73/16/11/758731611.db2.gz DNMDXBPJQDHBQP-GJZGRUSLSA-N 1 2 346.431 0.729 20 30 ECEDLO C=CCC1(C(=O)N(C)[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2O)CCC1 ZINC001049458426 758743432 /nfs/dbraw/zinc/74/34/32/758743432.db2.gz LDLKIDVUHVRBRL-GJZGRUSLSA-N 1 2 346.431 0.729 20 30 ECEDLO O=C(Cn1ncnn1)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001014424198 762656447 /nfs/dbraw/zinc/65/64/47/762656447.db2.gz AHJMTZRDURDPMA-HNNXBMFYSA-N 1 2 328.351 0.054 20 30 ECEDLO O=C(Cn1ncnn1)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001014424198 762656448 /nfs/dbraw/zinc/65/64/48/762656448.db2.gz AHJMTZRDURDPMA-HNNXBMFYSA-N 1 2 328.351 0.054 20 30 ECEDLO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001049512170 758830359 /nfs/dbraw/zinc/83/03/59/758830359.db2.gz AMXYFMOXAPWULI-QEJZJMRPSA-N 1 2 346.431 0.826 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001077357233 758898745 /nfs/dbraw/zinc/89/87/45/758898745.db2.gz OLERKWPOZLFYAM-AWEZNQCLSA-N 1 2 342.399 0.999 20 30 ECEDLO C#CCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001049631561 759021749 /nfs/dbraw/zinc/02/17/49/759021749.db2.gz NTBOKJJUPAPCCV-GJZGRUSLSA-N 1 2 332.404 0.176 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]3C2)nn1 ZINC001049702170 759113515 /nfs/dbraw/zinc/11/35/15/759113515.db2.gz WTMPASAJXRLWMZ-OLZOCXBDSA-N 1 2 337.387 0.599 20 30 ECEDLO N#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001049908307 759392621 /nfs/dbraw/zinc/39/26/21/759392621.db2.gz HNOCLSVMZXBRJI-ZACQAIPSSA-N 1 2 332.448 0.686 20 30 ECEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)CCNC(=O)NC)CC2)C1 ZINC001105706445 759556109 /nfs/dbraw/zinc/55/61/09/759556109.db2.gz UYSFPXVYFINPJJ-UHFFFAOYSA-N 1 2 338.452 0.573 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001012328228 759723073 /nfs/dbraw/zinc/72/30/73/759723073.db2.gz QBBLAFMVMFLPCC-CYBMUJFWSA-N 1 2 338.371 0.711 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3nn(C)cc3C)C2)nn1 ZINC001098672624 759906180 /nfs/dbraw/zinc/90/61/80/759906180.db2.gz GXLCFAIJHKUSEZ-CQSZACIVSA-N 1 2 327.392 0.130 20 30 ECEDLO COCc1noc(C[NH+]2CCC3(CN(C(=O)[C@@H](C)C#N)C3)CC2)n1 ZINC001050463670 760307718 /nfs/dbraw/zinc/30/77/18/760307718.db2.gz WXMFNQNJFRDKBO-LBPRGKRZSA-N 1 2 333.392 0.800 20 30 ECEDLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001050483297 760338347 /nfs/dbraw/zinc/33/83/47/760338347.db2.gz MPDHATJYEPYHBE-RYUDHWBXSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001050493191 760359852 /nfs/dbraw/zinc/35/98/52/760359852.db2.gz XUQHUTOJNTXXJN-NWDGAFQWSA-N 1 2 340.387 0.819 20 30 ECEDLO C=CCCC(=O)N(C)[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1O ZINC001048527703 760665174 /nfs/dbraw/zinc/66/51/74/760665174.db2.gz NPGGKLMURXVISS-STQMWFEESA-N 1 2 334.420 0.684 20 30 ECEDLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CNc1cncc(C#N)n1 ZINC001054426534 767971435 /nfs/dbraw/zinc/97/14/35/767971435.db2.gz SAXQHDURQIOZIG-CHWSQXEVSA-N 1 2 325.376 0.751 20 30 ECEDLO N#Cc1ccc(C(=O)NCC[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)[nH]1 ZINC001060235930 760810149 /nfs/dbraw/zinc/81/01/49/760810149.db2.gz VOSAPHKQXGOZHP-LBPRGKRZSA-N 1 2 340.387 0.821 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)CCCOC)nn2)C1 ZINC001107137380 760874885 /nfs/dbraw/zinc/87/48/85/760874885.db2.gz VIUAAKRRLOMROP-UHFFFAOYSA-N 1 2 337.424 0.380 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001013041515 760987943 /nfs/dbraw/zinc/98/79/43/760987943.db2.gz DJTSGXFXAJUOGT-OLZOCXBDSA-N 1 2 343.391 0.080 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2COCC[N@@H+]2CC[C@H]2CCCO2)c1 ZINC001050864818 761033796 /nfs/dbraw/zinc/03/37/96/761033796.db2.gz FXJYBYXSCGPPKK-HUUCEWRRSA-N 1 2 332.404 0.886 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2COCC[N@H+]2CC[C@H]2CCCO2)c1 ZINC001050864818 761033806 /nfs/dbraw/zinc/03/38/06/761033806.db2.gz FXJYBYXSCGPPKK-HUUCEWRRSA-N 1 2 332.404 0.886 20 30 ECEDLO Cn1c[nH+]cc1CN1CCOC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001050866248 761036309 /nfs/dbraw/zinc/03/63/09/761036309.db2.gz VKBIDEJHKIHYEL-AWEZNQCLSA-N 1 2 328.376 0.251 20 30 ECEDLO CO[C@H](C)c1noc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)n1 ZINC001048727991 761055695 /nfs/dbraw/zinc/05/56/95/761055695.db2.gz QRDYQHIPTHYHQR-QNWHQSFQSA-N 1 2 333.392 0.827 20 30 ECEDLO CO[C@H](C)c1noc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)n1 ZINC001048727991 761055702 /nfs/dbraw/zinc/05/57/02/761055702.db2.gz QRDYQHIPTHYHQR-QNWHQSFQSA-N 1 2 333.392 0.827 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cn(CCOC)nc1C ZINC001050918967 761141605 /nfs/dbraw/zinc/14/16/05/761141605.db2.gz CIUSSCPYUWLTTD-OAHLLOKOSA-N 1 2 336.436 0.845 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cn(CCOC)nc1C ZINC001050918967 761141608 /nfs/dbraw/zinc/14/16/08/761141608.db2.gz CIUSSCPYUWLTTD-OAHLLOKOSA-N 1 2 336.436 0.845 20 30 ECEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC[C@@H]1COCCN1CC#N ZINC001050922258 761148422 /nfs/dbraw/zinc/14/84/22/761148422.db2.gz QFKLQMYQSHVLSC-BZUAXINKSA-N 1 2 343.431 0.494 20 30 ECEDLO CC#CCN1CCOC[C@@H]1CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001050925166 761154185 /nfs/dbraw/zinc/15/41/85/761154185.db2.gz PFCNFEAOXGFGKB-WMLDXEAASA-N 1 2 345.447 0.630 20 30 ECEDLO CC#CCN1CCOC[C@@H]1CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001050925166 761154188 /nfs/dbraw/zinc/15/41/88/761154188.db2.gz PFCNFEAOXGFGKB-WMLDXEAASA-N 1 2 345.447 0.630 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)c(C(N)=O)cn1 ZINC001051119726 761520828 /nfs/dbraw/zinc/52/08/28/761520828.db2.gz DYCBOWJOYKMUDI-AWEZNQCLSA-N 1 2 346.431 0.886 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cc(C)c(C(N)=O)cn1 ZINC001051119726 761520832 /nfs/dbraw/zinc/52/08/32/761520832.db2.gz DYCBOWJOYKMUDI-AWEZNQCLSA-N 1 2 346.431 0.886 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2COCC[N@@H+]2CC[C@H]2CCOC2)nn1 ZINC001051156586 761579511 /nfs/dbraw/zinc/57/95/11/761579511.db2.gz UQZZVYKNOJCNKG-LSDHHAIUSA-N 1 2 349.435 0.321 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2COCC[N@H+]2CC[C@H]2CCOC2)nn1 ZINC001051156586 761579520 /nfs/dbraw/zinc/57/95/20/761579520.db2.gz UQZZVYKNOJCNKG-LSDHHAIUSA-N 1 2 349.435 0.321 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1nnn(C)c1C(F)(F)F ZINC001051156748 761580361 /nfs/dbraw/zinc/58/03/61/761580361.db2.gz XMYJLGRYCBSYEK-JTQLQIEISA-N 1 2 347.341 0.841 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1nnn(C)c1C(F)(F)F ZINC001051156748 761580367 /nfs/dbraw/zinc/58/03/67/761580367.db2.gz XMYJLGRYCBSYEK-JTQLQIEISA-N 1 2 347.341 0.841 20 30 ECEDLO COCc1noc(C[NH2+][C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)n1 ZINC001054587569 768055589 /nfs/dbraw/zinc/05/55/89/768055589.db2.gz MCHATAHLOPCCCO-MFKMUULPSA-N 1 2 344.375 0.666 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2COCCN2Cc2c[nH+]cn2C)nc1 ZINC001051214922 761704197 /nfs/dbraw/zinc/70/41/97/761704197.db2.gz PLFIHHRKURJQBI-INIZCTEOSA-N 1 2 339.399 0.427 20 30 ECEDLO C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001054588911 768057721 /nfs/dbraw/zinc/05/77/21/768057721.db2.gz UQLCBSOKUXLQKH-GXFFZTMASA-N 1 2 343.391 0.586 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H](CCNC(=O)CCc2[nH+]ccn2C)C1 ZINC001060287141 761791209 /nfs/dbraw/zinc/79/12/09/761791209.db2.gz YLQZRVWSCPFRHE-KBPBESRZSA-N 1 2 331.420 0.867 20 30 ECEDLO CNC(=O)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001212165533 761875580 /nfs/dbraw/zinc/87/55/80/761875580.db2.gz AIDRBLVZEGZBGP-HUUCEWRRSA-N 1 2 330.388 0.010 20 30 ECEDLO CNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001212165533 761875589 /nfs/dbraw/zinc/87/55/89/761875589.db2.gz AIDRBLVZEGZBGP-HUUCEWRRSA-N 1 2 330.388 0.010 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)C3CCC3)C2)C1=O ZINC001077461121 762705430 /nfs/dbraw/zinc/70/54/30/762705430.db2.gz JXYNFOQINSOBCX-BZUAXINKSA-N 1 2 349.475 0.761 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)C3CCC3)C2)C1=O ZINC001077461121 762705432 /nfs/dbraw/zinc/70/54/32/762705432.db2.gz JXYNFOQINSOBCX-BZUAXINKSA-N 1 2 349.475 0.761 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3nnc(C)o3)C2)cn1 ZINC001051907914 763301072 /nfs/dbraw/zinc/30/10/72/763301072.db2.gz CQDVSMLFYSNFRO-OAHLLOKOSA-N 1 2 341.371 0.385 20 30 ECEDLO C=CCC(CC=C)C(=O)NC[C@H](O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001105989633 763345540 /nfs/dbraw/zinc/34/55/40/763345540.db2.gz GOTHIVQHAQPNLO-AWEZNQCLSA-N 1 2 348.451 0.903 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)CCC2(F)F)c1 ZINC001046927750 763401170 /nfs/dbraw/zinc/40/11/70/763401170.db2.gz CUYYYQDVIGSOQK-SNVBAGLBSA-N 1 2 325.319 0.059 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)CCC2(F)F)c1 ZINC001046927750 763401177 /nfs/dbraw/zinc/40/11/77/763401177.db2.gz CUYYYQDVIGSOQK-SNVBAGLBSA-N 1 2 325.319 0.059 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CC[C@@H]3C(N)=O)C2)c(F)c1 ZINC001031899572 763447591 /nfs/dbraw/zinc/44/75/91/763447591.db2.gz QVMWJIKCSGFCCV-GJZGRUSLSA-N 1 2 344.390 0.757 20 30 ECEDLO CN1C[C@@H](C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)NC1=O ZINC001031902244 763471472 /nfs/dbraw/zinc/47/14/72/763471472.db2.gz IWLIFNDEHYOQCC-HNNXBMFYSA-N 1 2 345.378 0.269 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)Cn3cc(C)cn3)C2)CC1 ZINC001051992694 763538166 /nfs/dbraw/zinc/53/81/66/763538166.db2.gz HLXVNHKQPNRDTD-QGZVFWFLSA-N 1 2 329.448 0.433 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(C)n(C)n3)C2)CC1 ZINC001051992566 763538193 /nfs/dbraw/zinc/53/81/93/763538193.db2.gz AXBXSHYRDUPHNA-INIZCTEOSA-N 1 2 329.448 0.584 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(Cc3cncn3C)CC2)C1 ZINC001051997572 763546861 /nfs/dbraw/zinc/54/68/61/763546861.db2.gz DSDTXFDTHOBXRG-LSDHHAIUSA-N 1 2 330.436 0.298 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(Cc3ncccn3)CC2)C1 ZINC001051997546 763547643 /nfs/dbraw/zinc/54/76/43/763547643.db2.gz DCUSNGSXLIIYLM-LSDHHAIUSA-N 1 2 328.420 0.355 20 30 ECEDLO Cc1cnc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)nc1 ZINC001051997388 763547765 /nfs/dbraw/zinc/54/77/65/763547765.db2.gz BFVFCKDARRCXBJ-CVEARBPZSA-N 1 2 342.447 0.663 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(CCn3cccn3)CC2)C1 ZINC001051997672 763548268 /nfs/dbraw/zinc/54/82/68/763548268.db2.gz FQQZLNGDWUVWPY-CVEARBPZSA-N 1 2 330.436 0.261 20 30 ECEDLO CCn1ncnc1CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001051998007 763549709 /nfs/dbraw/zinc/54/97/09/763549709.db2.gz MFNKQIIAGQPSCY-LSDHHAIUSA-N 1 2 345.451 0.176 20 30 ECEDLO CCn1ncnc1CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001051998005 763549937 /nfs/dbraw/zinc/54/99/37/763549937.db2.gz MFNKQIIAGQPSCY-GJZGRUSLSA-N 1 2 345.451 0.176 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)c3cccc(=O)[nH]3)C2)CC1 ZINC001052005146 763569592 /nfs/dbraw/zinc/56/95/92/763569592.db2.gz XOEIAIGQUGFLKH-HNNXBMFYSA-N 1 2 328.416 0.643 20 30 ECEDLO C#CCC1(C(=O)NC[C@H](O)CNc2[nH+]cnc3c2cnn3C)CCC1 ZINC001106004726 763600260 /nfs/dbraw/zinc/60/02/60/763600260.db2.gz YOYJYVBALBIJFF-GFCCVEGCSA-N 1 2 342.403 0.446 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC=C)CC=C)C[C@H]1OC ZINC001212184942 763614043 /nfs/dbraw/zinc/61/40/43/763614043.db2.gz JSHWMBHCTWHYCC-IAGOWNOFSA-N 1 2 347.459 0.806 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N(CC=C)CC=C)C[C@H]1OC ZINC001212184942 763614048 /nfs/dbraw/zinc/61/40/48/763614048.db2.gz JSHWMBHCTWHYCC-IAGOWNOFSA-N 1 2 347.459 0.806 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)c3ccnn3C)C2)CC1 ZINC001052030413 763629269 /nfs/dbraw/zinc/62/92/69/763629269.db2.gz NRKJRENWQOCHHM-CVEARBPZSA-N 1 2 329.448 0.375 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)Cn3ccc(C)n3)C2)CC1 ZINC001052032403 763635532 /nfs/dbraw/zinc/63/55/32/763635532.db2.gz GRCOHPNELJMKCR-SJLPKXTDSA-N 1 2 343.475 0.679 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c(F)cncc3F)C2)CC1 ZINC001052035152 763640183 /nfs/dbraw/zinc/64/01/83/763640183.db2.gz BQDGQCAYSWMZNZ-LBPRGKRZSA-N 1 2 335.358 0.715 20 30 ECEDLO Cn1ncc(C2CC2)c1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052036002 763646494 /nfs/dbraw/zinc/64/64/94/763646494.db2.gz WNNKLHGSWXJUFK-HNNXBMFYSA-N 1 2 342.447 0.653 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3[nH]c(=O)[nH]c3C)C2)CC1 ZINC001052040652 763662594 /nfs/dbraw/zinc/66/25/94/763662594.db2.gz DCPUALWMZAQTJS-AWEZNQCLSA-N 1 2 331.420 0.279 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCN(C)C(=O)C3)C2)CC1 ZINC001052045683 763683540 /nfs/dbraw/zinc/68/35/40/763683540.db2.gz WJKBAWCFBWLCLP-IRXDYDNUSA-N 1 2 346.475 0.097 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)Cn3cc(C4CC4)cn3)C2)CC1 ZINC001052045949 763685295 /nfs/dbraw/zinc/68/52/95/763685295.db2.gz YNDPMTLBPVRRCL-SFHVURJKSA-N 1 2 341.459 0.612 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCCN(C(C)=O)C3)C2)CC1 ZINC001052047047 763689000 /nfs/dbraw/zinc/68/90/00/763689000.db2.gz HNDOMJSOEADOKI-ZWKOTPCHSA-N 1 2 346.475 0.097 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3c[nH]nc3CCC)C2)CC1 ZINC001052048046 763694137 /nfs/dbraw/zinc/69/41/37/763694137.db2.gz JJCLKCZUPKUGKF-HNNXBMFYSA-N 1 2 329.448 0.828 20 30 ECEDLO CCc1cnccc1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052048190 763695395 /nfs/dbraw/zinc/69/53/95/763695395.db2.gz NHYXSDXBPLHBMF-INIZCTEOSA-N 1 2 327.432 1.000 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc4[nH]ccc4n3)C2)CC1 ZINC001052050759 763708496 /nfs/dbraw/zinc/70/84/96/763708496.db2.gz YUJSKFKUSKYEJM-CQSZACIVSA-N 1 2 338.415 0.919 20 30 ECEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)c2cccc3[nH+]ccn32)nn1 ZINC001106018209 763726364 /nfs/dbraw/zinc/72/63/64/763726364.db2.gz SQDYNKBFDHMRLB-GFCCVEGCSA-N 1 2 337.343 0.199 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C)nc(OC)c3)C2)CC1 ZINC001052070063 763766776 /nfs/dbraw/zinc/76/67/76/763766776.db2.gz CHTJSQVZAGULCD-QGZVFWFLSA-N 1 2 342.443 0.864 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCc3cncs3)CC2)C1 ZINC000941567574 763802234 /nfs/dbraw/zinc/80/22/34/763802234.db2.gz XPWPVUCHZXUVOJ-UHFFFAOYSA-N 1 2 332.473 0.927 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)C2)CC1 ZINC001052089640 763824647 /nfs/dbraw/zinc/82/46/47/763824647.db2.gz SDLHPTJLHIKUEU-SJORKVTESA-N 1 2 346.475 0.097 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(C)nn(C)c3OC)C2)CC1 ZINC001052092722 763834312 /nfs/dbraw/zinc/83/43/12/763834312.db2.gz HEVRDEIANDXXBA-OAHLLOKOSA-N 1 2 347.463 0.755 20 30 ECEDLO CCc1nc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)c(C)o1 ZINC001052096816 763847640 /nfs/dbraw/zinc/84/76/40/763847640.db2.gz PUMVTFITKYTGEH-CQSZACIVSA-N 1 2 331.420 0.901 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc4nncn4c3)C2)CC1 ZINC001052098954 763856177 /nfs/dbraw/zinc/85/61/77/763856177.db2.gz ROPXFAIRCSQMOD-MRXNPFEDSA-N 1 2 340.431 0.747 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3c4c(nn3C)CCC4)C2)CC1 ZINC001052106348 763879544 /nfs/dbraw/zinc/87/95/44/763879544.db2.gz ITGUCGYFZIWIGE-HNNXBMFYSA-N 1 2 341.459 0.374 20 30 ECEDLO C[C@@H](Oc1ccccn1)C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052108438 763891269 /nfs/dbraw/zinc/89/12/69/763891269.db2.gz MCNKQSDZUKZLGC-HZPDHXFCSA-N 1 2 343.431 0.591 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)C2)CC1 ZINC001052112850 763909246 /nfs/dbraw/zinc/90/92/46/763909246.db2.gz GFRKJOVKMFMYCW-QZTJIDSGSA-N 1 2 346.475 0.097 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C2)CC1 ZINC001052117603 763928566 /nfs/dbraw/zinc/92/85/66/763928566.db2.gz VALWKBZAPDRZIW-KRWDZBQOSA-N 1 2 340.427 0.251 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3noc4c3COCC4)C2)CC1 ZINC001052119757 763937045 /nfs/dbraw/zinc/93/70/45/763937045.db2.gz VLZJQLUSNAATCJ-CQSZACIVSA-N 1 2 344.415 0.213 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3noc4c3COCC4)C2)CC1 ZINC001052119757 763937050 /nfs/dbraw/zinc/93/70/50/763937050.db2.gz VLZJQLUSNAATCJ-CQSZACIVSA-N 1 2 344.415 0.213 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnc(COC)s3)C2)CC1 ZINC001052125388 763952757 /nfs/dbraw/zinc/95/27/57/763952757.db2.gz QOZWHSTYKZZCPJ-CQSZACIVSA-N 1 2 348.472 0.755 20 30 ECEDLO Cc1cc(C(=O)N(C)[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)n[nH]1 ZINC001047315878 763971221 /nfs/dbraw/zinc/97/12/21/763971221.db2.gz WANACTOGNPLVGL-IRXDYDNUSA-N 1 2 339.399 0.907 20 30 ECEDLO Cc1cc(C(=O)N(C)[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)n[nH]1 ZINC001047315878 763971231 /nfs/dbraw/zinc/97/12/31/763971231.db2.gz WANACTOGNPLVGL-IRXDYDNUSA-N 1 2 339.399 0.907 20 30 ECEDLO CN(C(=O)C[C@H]1CCOC1)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047330588 764022388 /nfs/dbraw/zinc/02/23/88/764022388.db2.gz QUTWQJUABDJLIU-QYZOEREBSA-N 1 2 342.439 0.968 20 30 ECEDLO CN(C(=O)C[C@H]1CCOC1)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047330588 764022397 /nfs/dbraw/zinc/02/23/97/764022397.db2.gz QUTWQJUABDJLIU-QYZOEREBSA-N 1 2 342.439 0.968 20 30 ECEDLO N#CCSCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001047335964 764039954 /nfs/dbraw/zinc/03/99/54/764039954.db2.gz SKZDWQQXLBUDMW-AVGNSLFASA-N 1 2 347.444 0.705 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NC[C@H](O)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001106041797 764046291 /nfs/dbraw/zinc/04/62/91/764046291.db2.gz ISIZCWKPGYKSPQ-CYBMUJFWSA-N 1 2 347.463 0.956 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NC[C@H](O)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106041797 764046301 /nfs/dbraw/zinc/04/63/01/764046301.db2.gz ISIZCWKPGYKSPQ-CYBMUJFWSA-N 1 2 347.463 0.956 20 30 ECEDLO Cc1nocc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001047354055 764091680 /nfs/dbraw/zinc/09/16/80/764091680.db2.gz UPTPQWSOEHJRRE-GJZGRUSLSA-N 1 2 329.360 0.500 20 30 ECEDLO Cc1nocc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001047354055 764091686 /nfs/dbraw/zinc/09/16/86/764091686.db2.gz UPTPQWSOEHJRRE-GJZGRUSLSA-N 1 2 329.360 0.500 20 30 ECEDLO C#CCCCCCC(=O)NC[C@@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001106054177 764152704 /nfs/dbraw/zinc/15/27/04/764152704.db2.gz KQIWSOXHBJKEJF-CYBMUJFWSA-N 1 2 344.419 0.836 20 30 ECEDLO C#CCOc1ccc(C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)cc1 ZINC001032033244 764216717 /nfs/dbraw/zinc/21/67/17/764216717.db2.gz SAAJBRIFIXQKQA-INIZCTEOSA-N 1 2 327.384 0.249 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001052320085 764243631 /nfs/dbraw/zinc/24/36/31/764243631.db2.gz NJFSNKODNYXTRH-NWDGAFQWSA-N 1 2 342.407 0.755 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001052320085 764243635 /nfs/dbraw/zinc/24/36/35/764243635.db2.gz NJFSNKODNYXTRH-NWDGAFQWSA-N 1 2 342.407 0.755 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H](O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106066344 764274413 /nfs/dbraw/zinc/27/44/13/764274413.db2.gz BYYFJIGISDCRTR-DGCLKSJQSA-N 1 2 336.440 0.737 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](O)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001106066553 764276240 /nfs/dbraw/zinc/27/62/40/764276240.db2.gz GXBNDFOBBCVPRY-KBPBESRZSA-N 1 2 347.463 0.956 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](O)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106066553 764276245 /nfs/dbraw/zinc/27/62/45/764276245.db2.gz GXBNDFOBBCVPRY-KBPBESRZSA-N 1 2 347.463 0.956 20 30 ECEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001052385099 764384769 /nfs/dbraw/zinc/38/47/69/764384769.db2.gz QOZHSZQFWOQFKA-VXGBXAGGSA-N 1 2 340.387 0.676 20 30 ECEDLO Cc1n[nH]nc1C(=O)N(C)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047482255 764478610 /nfs/dbraw/zinc/47/86/10/764478610.db2.gz QTSPAMLRZCYNEY-HOTGVXAUSA-N 1 2 339.399 0.282 20 30 ECEDLO Cc1n[nH]nc1C(=O)N(C)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047482255 764478613 /nfs/dbraw/zinc/47/86/13/764478613.db2.gz QTSPAMLRZCYNEY-HOTGVXAUSA-N 1 2 339.399 0.282 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)[C@H]2C[N@H+](Cc3cnoc3C)C[C@@H]2O)c1 ZINC001047520816 764578021 /nfs/dbraw/zinc/57/80/21/764578021.db2.gz CTBIJINLGPLKQA-IRXDYDNUSA-N 1 2 340.383 0.677 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)[C@H]2C[N@@H+](Cc3cnoc3C)C[C@@H]2O)c1 ZINC001047520816 764578033 /nfs/dbraw/zinc/57/80/33/764578033.db2.gz CTBIJINLGPLKQA-IRXDYDNUSA-N 1 2 340.383 0.677 20 30 ECEDLO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]c(C)c2C(F)(F)F)C1 ZINC001047525882 764594960 /nfs/dbraw/zinc/59/49/60/764594960.db2.gz ZAYRMPLGRYKWLA-QWRGUYRKSA-N 1 2 344.337 0.877 20 30 ECEDLO C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2n[nH]c(C)c2C(F)(F)F)C1 ZINC001047525882 764594967 /nfs/dbraw/zinc/59/49/67/764594967.db2.gz ZAYRMPLGRYKWLA-QWRGUYRKSA-N 1 2 344.337 0.877 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cn(CC)cn3)C2)nn1 ZINC001098767314 764602907 /nfs/dbraw/zinc/60/29/07/764602907.db2.gz LBZVTOCEOUWKEI-CQSZACIVSA-N 1 2 327.392 0.305 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnnn2-c2ccccc2)C1 ZINC001047547992 764657013 /nfs/dbraw/zinc/65/70/13/764657013.db2.gz LBROQCIYBYIFMK-HOTGVXAUSA-N 1 2 325.372 0.018 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnnn2-c2ccccc2)C1 ZINC001047547992 764657016 /nfs/dbraw/zinc/65/70/16/764657016.db2.gz LBROQCIYBYIFMK-HOTGVXAUSA-N 1 2 325.372 0.018 20 30 ECEDLO CN(C(=O)c1ccncn1)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047569760 764720353 /nfs/dbraw/zinc/72/03/53/764720353.db2.gz DRSXDTLFEWZCCI-ROUUACIJSA-N 1 2 336.395 0.645 20 30 ECEDLO CN(C(=O)c1ccncn1)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047569760 764720360 /nfs/dbraw/zinc/72/03/60/764720360.db2.gz DRSXDTLFEWZCCI-ROUUACIJSA-N 1 2 336.395 0.645 20 30 ECEDLO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001052550284 764740015 /nfs/dbraw/zinc/74/00/15/764740015.db2.gz ZTDPNNIEGIAERC-UKRRQHHQSA-N 1 2 328.416 0.966 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCOCC3)C2)cc1 ZINC001015482321 764746833 /nfs/dbraw/zinc/74/68/33/764746833.db2.gz LYWAEBHMRQZNPQ-QGZVFWFLSA-N 1 2 341.411 0.331 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCOCC3)C2)cc1 ZINC001015482321 764746843 /nfs/dbraw/zinc/74/68/43/764746843.db2.gz LYWAEBHMRQZNPQ-QGZVFWFLSA-N 1 2 341.411 0.331 20 30 ECEDLO C#CCOc1ncccc1C(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001032137089 764788370 /nfs/dbraw/zinc/78/83/70/764788370.db2.gz VRLXMKGNXCFARJ-UHFFFAOYSA-N 1 2 342.399 0.034 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCC(=O)N3)C2)cc1F ZINC001032138298 764792526 /nfs/dbraw/zinc/79/25/26/764792526.db2.gz VBHGFIZHICKVRN-HNNXBMFYSA-N 1 2 330.363 0.524 20 30 ECEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ccn2nnnc2c1 ZINC001015497825 764804292 /nfs/dbraw/zinc/80/42/92/764804292.db2.gz HAJWSXPLUQVNSF-QGZVFWFLSA-N 1 2 346.394 0.980 20 30 ECEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ccn2nnnc2c1 ZINC001015497825 764804302 /nfs/dbraw/zinc/80/43/02/764804302.db2.gz HAJWSXPLUQVNSF-QGZVFWFLSA-N 1 2 346.394 0.980 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001047593708 764813446 /nfs/dbraw/zinc/81/34/46/764813446.db2.gz SIWGHWCGMCUMAR-HOTGVXAUSA-N 1 2 325.372 0.018 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001047593708 764813454 /nfs/dbraw/zinc/81/34/54/764813454.db2.gz SIWGHWCGMCUMAR-HOTGVXAUSA-N 1 2 325.372 0.018 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ncnn3C)CC2)c1 ZINC001052696478 765001074 /nfs/dbraw/zinc/00/10/74/765001074.db2.gz RUNYJTNJVJLQIA-MRXNPFEDSA-N 1 2 338.415 0.976 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+](Cc3ncnn3C)CC2)c1 ZINC001052696478 765001087 /nfs/dbraw/zinc/00/10/87/765001087.db2.gz RUNYJTNJVJLQIA-MRXNPFEDSA-N 1 2 338.415 0.976 20 30 ECEDLO CCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cnc(C#N)cn2)C1 ZINC001052711744 765027222 /nfs/dbraw/zinc/02/72/22/765027222.db2.gz YYYXWNSBKWIYQQ-CHWSQXEVSA-N 1 2 325.376 0.898 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2nncn2C)CC1 ZINC001052721639 765043613 /nfs/dbraw/zinc/04/36/13/765043613.db2.gz GEWJYNLQFCBMES-ZNMIVQPWSA-N 1 2 333.436 0.877 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2nncn2C)CC1 ZINC001052721639 765043619 /nfs/dbraw/zinc/04/36/19/765043619.db2.gz GEWJYNLQFCBMES-ZNMIVQPWSA-N 1 2 333.436 0.877 20 30 ECEDLO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001052799187 765141617 /nfs/dbraw/zinc/14/16/17/765141617.db2.gz FRSDGYPWAPJFIL-ZDUSSCGKSA-N 1 2 344.419 0.618 20 30 ECEDLO C=C(C)C[N@H+]1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001052799187 765141623 /nfs/dbraw/zinc/14/16/23/765141623.db2.gz FRSDGYPWAPJFIL-ZDUSSCGKSA-N 1 2 344.419 0.618 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3conc3CC)C2)C1=O ZINC001015667975 765142175 /nfs/dbraw/zinc/14/21/75/765142175.db2.gz YQNPSFNOUAPAKS-IUODEOHRSA-N 1 2 332.404 0.828 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3conc3CC)C2)C1=O ZINC001015667975 765142178 /nfs/dbraw/zinc/14/21/78/765142178.db2.gz YQNPSFNOUAPAKS-IUODEOHRSA-N 1 2 332.404 0.828 20 30 ECEDLO C[C@@]1(C(=O)N[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)CCNC1=O ZINC001015695971 765179220 /nfs/dbraw/zinc/17/92/20/765179220.db2.gz SFNNBESAMZWPHH-KBXCAEBGSA-N 1 2 344.390 0.914 20 30 ECEDLO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)CCNC1=O ZINC001015695971 765179223 /nfs/dbraw/zinc/17/92/23/765179223.db2.gz SFNNBESAMZWPHH-KBXCAEBGSA-N 1 2 344.390 0.914 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cnc(C)nc3)C2)nn1 ZINC001015810295 765368923 /nfs/dbraw/zinc/36/89/23/765368923.db2.gz FIIHUIGUCXJVFR-AWEZNQCLSA-N 1 2 327.392 0.567 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cnc(C)nc3)C2)nn1 ZINC001015810295 765368933 /nfs/dbraw/zinc/36/89/33/765368933.db2.gz FIIHUIGUCXJVFR-AWEZNQCLSA-N 1 2 327.392 0.567 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccnc(OC)c3)C2)nn1 ZINC001015811503 765370849 /nfs/dbraw/zinc/37/08/49/765370849.db2.gz HGYKELKKHRWKEG-AWEZNQCLSA-N 1 2 342.403 0.872 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccnc(OC)c3)C2)nn1 ZINC001015811503 765370854 /nfs/dbraw/zinc/37/08/54/765370854.db2.gz HGYKELKKHRWKEG-AWEZNQCLSA-N 1 2 342.403 0.872 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(OC)nc3)C2)nn1 ZINC001015812506 765372639 /nfs/dbraw/zinc/37/26/39/765372639.db2.gz DRJIXPGNLHUICD-AWEZNQCLSA-N 1 2 342.403 0.872 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(OC)nc3)C2)nn1 ZINC001015812506 765372645 /nfs/dbraw/zinc/37/26/45/765372645.db2.gz DRJIXPGNLHUICD-AWEZNQCLSA-N 1 2 342.403 0.872 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3nccnc3C)C2)nn1 ZINC001015821157 765383033 /nfs/dbraw/zinc/38/30/33/765383033.db2.gz RNURJNVSLJTVCI-AWEZNQCLSA-N 1 2 341.419 0.957 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3nccnc3C)C2)nn1 ZINC001015821157 765383044 /nfs/dbraw/zinc/38/30/44/765383044.db2.gz RNURJNVSLJTVCI-AWEZNQCLSA-N 1 2 341.419 0.957 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3ccc(OC)o3)C2)C1=O ZINC001015894999 765508757 /nfs/dbraw/zinc/50/87/57/765508757.db2.gz AISURNKCWDDPIM-STQMWFEESA-N 1 2 333.388 0.879 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccc(OC)o3)C2)C1=O ZINC001015894999 765508764 /nfs/dbraw/zinc/50/87/64/765508764.db2.gz AISURNKCWDDPIM-STQMWFEESA-N 1 2 333.388 0.879 20 30 ECEDLO C#CCOCCC(=O)NC[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001053073162 765547088 /nfs/dbraw/zinc/54/70/88/765547088.db2.gz HSRPMZCCFXALSI-CVEARBPZSA-N 1 2 346.431 0.524 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cn(C)nc3C)C[C@H]2O)cc1 ZINC001077493866 765587123 /nfs/dbraw/zinc/58/71/23/765587123.db2.gz OJIMVVZXPOWQTH-QZTJIDSGSA-N 1 2 338.411 0.685 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cn(C)nc3C)C[C@H]2O)cc1 ZINC001077493866 765587129 /nfs/dbraw/zinc/58/71/29/765587129.db2.gz OJIMVVZXPOWQTH-QZTJIDSGSA-N 1 2 338.411 0.685 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(=O)n(CCOC)c1 ZINC001017704429 768308732 /nfs/dbraw/zinc/30/87/32/768308732.db2.gz GUQZVZKKVBCMDN-IYBDPMFKSA-N 1 2 329.400 0.417 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(=O)n(CCOC)c1 ZINC001017704429 768308738 /nfs/dbraw/zinc/30/87/38/768308738.db2.gz GUQZVZKKVBCMDN-IYBDPMFKSA-N 1 2 329.400 0.417 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCCCC3)C2)nc1 ZINC001016022537 765726565 /nfs/dbraw/zinc/72/65/65/765726565.db2.gz FEFSMUXEXRPJOV-MRXNPFEDSA-N 1 2 340.427 0.880 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)nc1 ZINC001016022537 765726572 /nfs/dbraw/zinc/72/65/72/765726572.db2.gz FEFSMUXEXRPJOV-MRXNPFEDSA-N 1 2 340.427 0.880 20 30 ECEDLO N#Cc1cncc(NC[C@@H](O)CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)n1 ZINC001106103870 765746587 /nfs/dbraw/zinc/74/65/87/765746587.db2.gz FAKWLEHGOOUWRW-VXGBXAGGSA-N 1 2 341.375 0.080 20 30 ECEDLO C#CCOCCC(=O)NC[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001053269028 765873819 /nfs/dbraw/zinc/87/38/19/765873819.db2.gz UTWYEABWDZMPCF-KBPBESRZSA-N 1 2 332.404 0.203 20 30 ECEDLO C=C(C)CN1CC2(C1)CN(C(=O)[C@H]1CCc3[nH+]ccn3C1)CCO2 ZINC001053315031 765955342 /nfs/dbraw/zinc/95/53/42/765955342.db2.gz ZWLYSOFUDNDUEE-HNNXBMFYSA-N 1 2 330.432 0.935 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CN(Cc3c[nH+]cn3C)C2)C1 ZINC001053437176 766132565 /nfs/dbraw/zinc/13/25/65/766132565.db2.gz NPXOEELMWKQVLD-CVEARBPZSA-N 1 2 346.431 0.424 20 30 ECEDLO C[C@@H](CCNc1ccnc(C#N)n1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001106483222 768357732 /nfs/dbraw/zinc/35/77/32/768357732.db2.gz XYVHEOXRBVPMIN-STQMWFEESA-N 1 2 339.403 0.536 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCOC3(C[NH+](C[C@H](C)OC)C3)C2)cn1 ZINC001053512480 766264952 /nfs/dbraw/zinc/26/49/52/766264952.db2.gz RNOLSLPNOQQDRV-AWEZNQCLSA-N 1 2 329.400 0.625 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1nc2ccccn2c1=O ZINC001017782112 768365097 /nfs/dbraw/zinc/36/50/97/768365097.db2.gz SCWLSSNUSPWWNP-GASCZTMLSA-N 1 2 339.399 0.195 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1nc2ccccn2c1=O ZINC001017782112 768365104 /nfs/dbraw/zinc/36/51/04/768365104.db2.gz SCWLSSNUSPWWNP-GASCZTMLSA-N 1 2 339.399 0.195 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001017782941 768365893 /nfs/dbraw/zinc/36/58/93/768365893.db2.gz TVLOZALOAHULMV-BETUJISGSA-N 1 2 340.391 0.006 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc(C)n(-c2nc[nH]n2)n1 ZINC001017782941 768365898 /nfs/dbraw/zinc/36/58/98/768365898.db2.gz TVLOZALOAHULMV-BETUJISGSA-N 1 2 340.391 0.006 20 30 ECEDLO Cn1cnc(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)n1 ZINC001031648586 766337559 /nfs/dbraw/zinc/33/75/59/766337559.db2.gz VRXHUUUNKYGDNR-UHFFFAOYSA-N 1 2 328.351 0.688 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C1 ZINC001212248768 766363330 /nfs/dbraw/zinc/36/33/30/766363330.db2.gz MYNJMPHXDDTATP-RRFJBIMHSA-N 1 2 335.448 0.542 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C1 ZINC001212248768 766363338 /nfs/dbraw/zinc/36/33/38/766363338.db2.gz MYNJMPHXDDTATP-RRFJBIMHSA-N 1 2 335.448 0.542 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cn(CCOC)nc1C)O2 ZINC001053599727 766406706 /nfs/dbraw/zinc/40/67/06/766406706.db2.gz XUGVVURDCUNROF-OAHLLOKOSA-N 1 2 348.447 0.987 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccn3nnnc13)O2 ZINC001053604253 766414232 /nfs/dbraw/zinc/41/42/32/766414232.db2.gz AAJHBBCOEFOKSQ-CYBMUJFWSA-N 1 2 342.403 0.664 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cn3c(n1)COCC3)O2 ZINC001053617737 766443089 /nfs/dbraw/zinc/44/30/89/766443089.db2.gz GCLFHEWDWCCFNE-CQSZACIVSA-N 1 2 346.431 0.953 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1nccn3ccnc13)O2 ZINC001053660100 766530932 /nfs/dbraw/zinc/53/09/32/766530932.db2.gz GGGMYQVOGLIKLC-ZDUSSCGKSA-N 1 2 327.388 0.879 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c[nH]c(=O)cc1OC)O2 ZINC001053660822 766532155 /nfs/dbraw/zinc/53/21/55/766532155.db2.gz PYKKFEVYKMKFBL-LBPRGKRZSA-N 1 2 333.388 0.945 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000992420877 766533678 /nfs/dbraw/zinc/53/36/78/766533678.db2.gz QVMULOLTRPJJBY-MNSOJDNVSA-N 1 2 346.431 0.863 20 30 ECEDLO Cn1ncc(C[NH+]2CCC3(C[C@@H]3NC(=O)c3c[nH]c(C#N)c3)CC2)n1 ZINC001016587907 766547367 /nfs/dbraw/zinc/54/73/67/766547367.db2.gz NZJZQSTXYISKMF-HNNXBMFYSA-N 1 2 339.403 0.799 20 30 ECEDLO C[C@@H](CC(=O)NC[C@@H](O)CNc1ccc(C#N)cn1)n1cc[nH+]c1 ZINC001106131418 766578725 /nfs/dbraw/zinc/57/87/25/766578725.db2.gz ATTZYTRBXOBGTF-JSGCOSHPSA-N 1 2 328.376 0.690 20 30 ECEDLO C[C@@H](CC(=O)NC[C@@H](O)CNc1cncc(C#N)n1)n1cc[nH+]c1 ZINC001106131481 766579913 /nfs/dbraw/zinc/57/99/13/766579913.db2.gz CCHNSUDIYLGDFL-AAEUAGOBSA-N 1 2 329.364 0.085 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccn(C)c1=O)O2 ZINC001053685887 766584822 /nfs/dbraw/zinc/58/48/22/766584822.db2.gz AYWHRBHJLTWIKX-CQSZACIVSA-N 1 2 331.416 0.925 20 30 ECEDLO C[C@H](CC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1)n1cc[nH+]c1 ZINC001106131616 766591286 /nfs/dbraw/zinc/59/12/86/766591286.db2.gz GGKCKRGFBRCDSE-YPMHNXCESA-N 1 2 329.364 0.085 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnn(CCOC)c1)O2 ZINC001053694707 766604731 /nfs/dbraw/zinc/60/47/31/766604731.db2.gz XQPMGZDCCCKLEF-HNNXBMFYSA-N 1 2 334.420 0.679 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001060420819 766606023 /nfs/dbraw/zinc/60/60/23/766606023.db2.gz VYAMNNMRPBRWAI-XHSDSOJGSA-N 1 2 346.431 0.829 20 30 ECEDLO C[C@@H](CC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1)n1cc[nH+]c1 ZINC001106132257 766608976 /nfs/dbraw/zinc/60/89/76/766608976.db2.gz XBEJBQIPUGPLJR-AAEUAGOBSA-N 1 2 329.364 0.085 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccc(C(N)=O)n1)O2 ZINC001053701650 766623460 /nfs/dbraw/zinc/62/34/60/766623460.db2.gz ACUQUKREGAPLHN-GFCCVEGCSA-N 1 2 330.388 0.330 20 30 ECEDLO CCn1ccnc1C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001046011749 766636815 /nfs/dbraw/zinc/63/68/15/766636815.db2.gz HBJUDFZIAKZZEP-CVEARBPZSA-N 1 2 344.463 0.781 20 30 ECEDLO CCn1ccnc1C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001046011749 766636816 /nfs/dbraw/zinc/63/68/16/766636816.db2.gz HBJUDFZIAKZZEP-CVEARBPZSA-N 1 2 344.463 0.781 20 30 ECEDLO CCN(c1ncnc2c1C[N@H+](C)CC2)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001089623284 766690011 /nfs/dbraw/zinc/69/00/11/766690011.db2.gz PIVUHBJIRVNUOY-QWHCGFSZSA-N 1 2 330.436 0.955 20 30 ECEDLO CCN(c1ncnc2c1C[N@@H+](C)CC2)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC001089623284 766690014 /nfs/dbraw/zinc/69/00/14/766690014.db2.gz PIVUHBJIRVNUOY-QWHCGFSZSA-N 1 2 330.436 0.955 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C(C)(C)C)C3=O)C[C@@H]2O)C1 ZINC001083763341 766717774 /nfs/dbraw/zinc/71/77/74/766717774.db2.gz GGVDVAYRIVNSKA-KFWWJZLASA-N 1 2 349.475 0.903 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C(C)(C)C)C3=O)C[C@@H]2O)C1 ZINC001083763341 766717783 /nfs/dbraw/zinc/71/77/83/766717783.db2.gz GGVDVAYRIVNSKA-KFWWJZLASA-N 1 2 349.475 0.903 20 30 ECEDLO C#CCCCCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1OC ZINC001213271438 766728917 /nfs/dbraw/zinc/72/89/17/766728917.db2.gz YQKMLACQIXBQLK-BZUAXINKSA-N 1 2 335.448 0.616 20 30 ECEDLO C#CCCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1OC ZINC001213271438 766728921 /nfs/dbraw/zinc/72/89/21/766728921.db2.gz YQKMLACQIXBQLK-BZUAXINKSA-N 1 2 335.448 0.616 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cnc4n[nH]cc4c3)CC2)C1 ZINC001046038452 766737894 /nfs/dbraw/zinc/73/78/94/766737894.db2.gz DPUMUMUSXYFESB-OAHLLOKOSA-N 1 2 339.403 0.314 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cn4cccnc4n3)CC2)C1 ZINC001046043101 766758771 /nfs/dbraw/zinc/75/87/71/766758771.db2.gz VLRVDILZKRSSRX-AWEZNQCLSA-N 1 2 339.403 0.085 20 30 ECEDLO CC(C)n1ccc(CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)n1 ZINC001046045965 766772760 /nfs/dbraw/zinc/77/27/60/766772760.db2.gz SKQKMHYVEQMMLR-QGZVFWFLSA-N 1 2 344.463 0.749 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 ZINC001106132855 766775814 /nfs/dbraw/zinc/77/58/14/766775814.db2.gz BGAMFJSRGMXRSV-BXUZGUMPSA-N 1 2 328.376 0.444 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](O)CNc1ccc(C#N)cn1 ZINC001106132855 766775819 /nfs/dbraw/zinc/77/58/19/766775819.db2.gz BGAMFJSRGMXRSV-BXUZGUMPSA-N 1 2 328.376 0.444 20 30 ECEDLO Cn1ccnc1CCC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046048211 766780711 /nfs/dbraw/zinc/78/07/11/766780711.db2.gz SJGMEFIZAOEXKV-HNNXBMFYSA-N 1 2 330.436 0.095 20 30 ECEDLO C[C@@H](C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1)c1cncnc1 ZINC001046054066 766799019 /nfs/dbraw/zinc/79/90/19/766799019.db2.gz HXHOBZLRBLAYEC-ZBFHGGJFSA-N 1 2 328.420 0.322 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@H]3CCc4cccnc43)CC2)C1 ZINC001046054412 766801376 /nfs/dbraw/zinc/80/13/76/766801376.db2.gz MWKCFDWAERLYRQ-IRXDYDNUSA-N 1 2 339.443 0.853 20 30 ECEDLO CC(C)n1ccc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)n1 ZINC001046067265 766856295 /nfs/dbraw/zinc/85/62/95/766856295.db2.gz VZIGVMXBDAHNOO-OAHLLOKOSA-N 1 2 330.436 0.820 20 30 ECEDLO CC(C)Cn1cc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)cn1 ZINC001046075193 766894906 /nfs/dbraw/zinc/89/49/06/766894906.db2.gz PGBMXSQNMHYJGN-KRWDZBQOSA-N 1 2 344.463 0.895 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cn1 ZINC000994824037 766895102 /nfs/dbraw/zinc/89/51/02/766895102.db2.gz ZVFJVFHGFSFAFG-HUUCEWRRSA-N 1 2 335.367 0.530 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cn1 ZINC000994824037 766895108 /nfs/dbraw/zinc/89/51/08/766895108.db2.gz ZVFJVFHGFSFAFG-HUUCEWRRSA-N 1 2 335.367 0.530 20 30 ECEDLO C[C@H](Oc1ccccn1)C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046076769 766905659 /nfs/dbraw/zinc/90/56/59/766905659.db2.gz PSULXHKQXBPYGJ-HOTGVXAUSA-N 1 2 343.431 0.591 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)CC2)C1 ZINC001046077045 766906128 /nfs/dbraw/zinc/90/61/28/766906128.db2.gz RCLJFGOXHRMFAH-ZBFHGGJFSA-N 1 2 342.447 0.257 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)C[C@@H]3CCCCC(=O)N3)CC2)C1 ZINC001046081628 766920048 /nfs/dbraw/zinc/92/00/48/766920048.db2.gz NDYDSWAKVQNKPF-JKSUJKDBSA-N 1 2 347.463 0.177 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC(=O)N(C(C)C)C1)CO2 ZINC001053818483 766925585 /nfs/dbraw/zinc/92/55/85/766925585.db2.gz LERGTNBPDIXEBK-CABCVRRESA-N 1 2 335.448 0.779 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C3CC3)nn1C)CO2 ZINC001053820941 766935956 /nfs/dbraw/zinc/93/59/56/766935956.db2.gz QFQPJAJPGBOMHI-CQSZACIVSA-N 1 2 328.416 0.894 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3n[nH]nc3n1)CO2 ZINC001053824402 766946882 /nfs/dbraw/zinc/94/68/82/766946882.db2.gz ZHWZDJUTUUFJKL-NSHDSACASA-N 1 2 328.376 0.502 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccn(CC(F)F)n1)CO2 ZINC001053841453 766989691 /nfs/dbraw/zinc/98/96/91/766989691.db2.gz JMMYFCZZUNJKDV-LBPRGKRZSA-N 1 2 338.358 0.745 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3scnc3C)C[C@@H]2O)c1 ZINC001083765143 766995042 /nfs/dbraw/zinc/99/50/42/766995042.db2.gz POPTUPLPKUVCCM-CABCVRRESA-N 1 2 342.424 0.803 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3scnc3C)C[C@@H]2O)c1 ZINC001083765143 766995048 /nfs/dbraw/zinc/99/50/48/766995048.db2.gz POPTUPLPKUVCCM-CABCVRRESA-N 1 2 342.424 0.803 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3cncn3C1)CO2 ZINC001053852484 767023556 /nfs/dbraw/zinc/02/35/56/767023556.db2.gz LZRSRDCAHZTVLH-GJZGRUSLSA-N 1 2 328.416 0.428 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C(F)F)n(C)n1)CO2 ZINC001053871832 767094020 /nfs/dbraw/zinc/09/40/20/767094020.db2.gz NIIKLGWNXSEYRT-LLVKDONJSA-N 1 2 338.358 0.954 20 30 ECEDLO C[C@H](C#N)C(=O)NCC1=CCN(c2ncnc3c2C[N@H+](C)CC3)CC1 ZINC001127583099 767095325 /nfs/dbraw/zinc/09/53/25/767095325.db2.gz YTTYYYMDDBRJPJ-CYBMUJFWSA-N 1 2 340.431 0.877 20 30 ECEDLO C[C@H](C#N)C(=O)NCC1=CCN(c2ncnc3c2C[N@@H+](C)CC3)CC1 ZINC001127583099 767095333 /nfs/dbraw/zinc/09/53/33/767095333.db2.gz YTTYYYMDDBRJPJ-CYBMUJFWSA-N 1 2 340.431 0.877 20 30 ECEDLO C[C@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046289457 767129943 /nfs/dbraw/zinc/12/99/43/767129943.db2.gz VOHLPQDWNOVFNP-PBHICJAKSA-N 1 2 346.362 0.886 20 30 ECEDLO C[C@]1(NC(=O)[C@H]2COC(=O)N2)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046289457 767129945 /nfs/dbraw/zinc/12/99/45/767129945.db2.gz VOHLPQDWNOVFNP-PBHICJAKSA-N 1 2 346.362 0.886 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1c(C)c(C)n[nH]c1=O)CO2 ZINC001053888954 767228489 /nfs/dbraw/zinc/22/84/89/767228489.db2.gz WMPSBLLKGWEBPN-CYBMUJFWSA-N 1 2 332.404 0.948 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnn3cccnc13)CO2 ZINC001053890040 767237860 /nfs/dbraw/zinc/23/78/60/767237860.db2.gz YBFVSOISRXKESS-ZDUSSCGKSA-N 1 2 325.372 0.326 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC000994915017 767240005 /nfs/dbraw/zinc/24/00/05/767240005.db2.gz FZTHIVAVXWMAOB-HOCLYGCPSA-N 1 2 332.404 0.581 20 30 ECEDLO N#Cc1ccc(N2CC=C(CNC(=O)CCc3[nH]cc[nH+]3)CC2)nn1 ZINC001127628646 767289373 /nfs/dbraw/zinc/28/93/73/767289373.db2.gz PLPSCUCCWYTWHJ-UHFFFAOYSA-N 1 2 337.387 0.957 20 30 ECEDLO Cn1cc(C[N@@H+]2CC[C@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)nn1 ZINC001042020741 782614277 /nfs/dbraw/zinc/61/42/77/782614277.db2.gz XGYQSAZBEVHFQP-BLLLJJGKSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1cc(C[N@H+]2CC[C@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)nn1 ZINC001042020741 782614282 /nfs/dbraw/zinc/61/42/82/782614282.db2.gz XGYQSAZBEVHFQP-BLLLJJGKSA-N 1 2 339.403 0.751 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC(=O)N1C(C)C)CO2 ZINC001053903911 767309480 /nfs/dbraw/zinc/30/94/80/767309480.db2.gz AOABJZKNZIMKFR-CABCVRRESA-N 1 2 333.432 0.369 20 30 ECEDLO C#CCN1CC2(C1)C[C@@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)CO2 ZINC001053904569 767312502 /nfs/dbraw/zinc/31/25/02/767312502.db2.gz PYUABCYDSOEWOR-NVXWUHKLSA-N 1 2 347.459 0.223 20 30 ECEDLO C#CCN1CC2(C1)C[C@@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)CO2 ZINC001053904569 767312504 /nfs/dbraw/zinc/31/25/04/767312504.db2.gz PYUABCYDSOEWOR-NVXWUHKLSA-N 1 2 347.459 0.223 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCc3nn[nH]c31)CO2 ZINC001053907801 767325399 /nfs/dbraw/zinc/32/53/99/767325399.db2.gz DNGIFICLCHIBKQ-STQMWFEESA-N 1 2 331.420 0.760 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2COC3(C[NH+](C[C@H](C)OC)C3)C2)c1 ZINC001053920563 767361753 /nfs/dbraw/zinc/36/17/53/767361753.db2.gz MTKDRTKIFXPSDH-XJKSGUPXSA-N 1 2 329.400 0.671 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)NC[C@H](O)CNc2cnc(C#N)cn2)c[nH+]1 ZINC001106160155 767413271 /nfs/dbraw/zinc/41/32/71/767413271.db2.gz VXPFJVWGCDKKFN-CYBMUJFWSA-N 1 2 343.391 0.178 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1ccc(C)cc1=O)CO2 ZINC001053944654 767418513 /nfs/dbraw/zinc/41/85/13/767418513.db2.gz DZQQWBWEOCPPLK-OAHLLOKOSA-N 1 2 329.400 0.140 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C(=O)N1CCC[C@H](C)C1)CO2 ZINC001053949166 767430553 /nfs/dbraw/zinc/43/05/53/767430553.db2.gz ZQMUJEOKXRJXLR-GJZGRUSLSA-N 1 2 333.432 0.228 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C(=O)N1CCC[C@@H](C)C1)CO2 ZINC001053948917 767430762 /nfs/dbraw/zinc/43/07/62/767430762.db2.gz URCIEELQOIXJEU-CABCVRRESA-N 1 2 335.448 0.781 20 30 ECEDLO N#Cc1nccc(N2CC=C(CCNC(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC001089839924 767445596 /nfs/dbraw/zinc/44/55/96/767445596.db2.gz CRTYJDTZWPHUPC-UHFFFAOYSA-N 1 2 337.387 0.957 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C(=O)N1CCC[C@@H]1CC)CO2 ZINC001053975195 767504264 /nfs/dbraw/zinc/50/42/64/767504264.db2.gz ZIVALYRFPAWMPX-GJZGRUSLSA-N 1 2 335.448 0.923 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cn1nc(C)ccc1=O)CO2 ZINC001053987846 767539558 /nfs/dbraw/zinc/53/95/58/767539558.db2.gz UUIDDWPTBHBSHU-AWEZNQCLSA-N 1 2 332.404 0.087 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@@H]1COC2(C[NH+](C[C@@H](C)O)C2)C1 ZINC001053993618 767549232 /nfs/dbraw/zinc/54/92/32/767549232.db2.gz QCGRPJLZQGXALQ-PBHICJAKSA-N 1 2 328.412 0.551 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnn(CCOC)c1)CO2 ZINC001053996400 767554631 /nfs/dbraw/zinc/55/46/31/767554631.db2.gz NFHLTZYBBSSKCJ-HNNXBMFYSA-N 1 2 332.404 0.126 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C1CCN(C(C)=O)CC1)CO2 ZINC001054004001 767569996 /nfs/dbraw/zinc/56/99/96/767569996.db2.gz FBYNAXKZNPJXQQ-INIZCTEOSA-N 1 2 335.448 0.781 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3c[nH]nc3C1)CO2 ZINC001054015609 767605066 /nfs/dbraw/zinc/60/50/66/767605066.db2.gz LYJCWHGHZXSNCR-UKRRQHHQSA-N 1 2 328.416 0.497 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnn(C)c1C1CC1)CO2 ZINC001054024520 767624179 /nfs/dbraw/zinc/62/41/79/767624179.db2.gz RNZZQHBTTRICJD-CQSZACIVSA-N 1 2 328.416 0.894 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001078308112 782651035 /nfs/dbraw/zinc/65/10/35/782651035.db2.gz VTTOAENUKZHGQG-KBPBESRZSA-N 1 2 346.431 0.881 20 30 ECEDLO Cn1nnnc1C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C#CC1CC1)C2 ZINC001054129873 767724038 /nfs/dbraw/zinc/72/40/38/767724038.db2.gz 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C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)CCNc1ccnc(C#N)n1 ZINC001106601900 768492597 /nfs/dbraw/zinc/49/25/97/768492597.db2.gz QXHLXUXWSVHENY-NEPJUHHUSA-N 1 2 327.392 0.679 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)CCNc1ccnc(C#N)n1 ZINC001106601900 768492604 /nfs/dbraw/zinc/49/26/04/768492604.db2.gz QXHLXUXWSVHENY-NEPJUHHUSA-N 1 2 327.392 0.679 20 30 ECEDLO N#Cc1ccc(N[C@@H]2CC[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)nn1 ZINC001060534588 768556973 /nfs/dbraw/zinc/55/69/73/768556973.db2.gz BWOKWEPEENOUEF-NWANDNLSSA-N 1 2 337.387 0.894 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2CC(C)(C)C2)[C@H](OC)C1 ZINC001212206028 768638113 /nfs/dbraw/zinc/63/81/13/768638113.db2.gz FGQBGPYDIGKTIR-BPLDGKMQSA-N 1 2 335.448 0.376 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC(C)(C)C2)[C@H](OC)C1 ZINC001212206028 768638117 /nfs/dbraw/zinc/63/81/17/768638117.db2.gz FGQBGPYDIGKTIR-BPLDGKMQSA-N 1 2 335.448 0.376 20 30 ECEDLO N#Cc1nccnc1N[C@@H]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 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ASMPILLSEREQSJ-GASCZTMLSA-N 1 2 328.416 0.849 20 30 ECEDLO C=CCCOCC(=O)N1C[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC001055378581 768835120 /nfs/dbraw/zinc/83/51/20/768835120.db2.gz VMJJDFIGCCULFA-GASCZTMLSA-N 1 2 346.431 0.770 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H]1C ZINC000993364193 768876388 /nfs/dbraw/zinc/87/63/88/768876388.db2.gz JWOZXOPRXAHVPK-WDEREUQCSA-N 1 2 340.815 0.099 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H]1C ZINC000993364193 768876399 /nfs/dbraw/zinc/87/63/99/768876399.db2.gz JWOZXOPRXAHVPK-WDEREUQCSA-N 1 2 340.815 0.099 20 30 ECEDLO CCN(CCNc1ccnc(C#N)n1)C(=O)CCCn1cc[nH+]c1 ZINC001106793929 768987371 /nfs/dbraw/zinc/98/73/71/768987371.db2.gz XVRYDGPIHNAMFV-UHFFFAOYSA-N 1 2 327.392 0.707 20 30 ECEDLO C[C@H](C[C@H](C)Nc1ccnc(C#N)n1)NC(=O)Cc1c[nH+]cn1C ZINC001089353403 769010128 /nfs/dbraw/zinc/01/01/28/769010128.db2.gz YXSINSIMKGSELL-NWDGAFQWSA-N 1 2 327.392 0.442 20 30 ECEDLO CC(C)C#CC(=O)NC1CC[NH+](CCNC(=O)c2cnns2)CC1 ZINC001055531698 769026555 /nfs/dbraw/zinc/02/65/55/769026555.db2.gz OQJMYRDRPJAVNO-UHFFFAOYSA-N 1 2 349.460 0.508 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3cnns3)C2)CC1 ZINC001018359183 769188004 /nfs/dbraw/zinc/18/80/04/769188004.db2.gz BJHWHLYQTBBJSK-ZDUSSCGKSA-N 1 2 349.460 0.721 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)C3CCOCC3)C2)CC1 ZINC001018359197 769188507 /nfs/dbraw/zinc/18/85/07/769188507.db2.gz BXFYXJFTUDVUIT-QGZVFWFLSA-N 1 2 349.475 0.982 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)C3CCOCC3)C2)CC1 ZINC001018359196 769188655 /nfs/dbraw/zinc/18/86/55/769188655.db2.gz BXFYXJFTUDVUIT-KRWDZBQOSA-N 1 2 349.475 0.982 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3ncc[nH]3)C2)CC1 ZINC001018365818 769210568 /nfs/dbraw/zinc/21/05/68/769210568.db2.gz KIERDXUPUGOSNY-AWEZNQCLSA-N 1 2 331.420 0.592 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NCC[NH+]1CCC(NC(=O)c2cnn[nH]2)CC1 ZINC001055620942 769272636 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Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCN(c2ccc(C#N)nn2)C1 ZINC001058182284 773720613 /nfs/dbraw/zinc/72/06/13/773720613.db2.gz XZKVKIVVIWNJCO-CYBMUJFWSA-N 1 2 325.376 0.708 20 30 ECEDLO C#CCCCCCC(=O)NCCN(CCO)C(=O)CCn1cc[nH+]c1 ZINC001058200897 773759330 /nfs/dbraw/zinc/75/93/30/773759330.db2.gz ZNHCUNBIUNXVJO-UHFFFAOYSA-N 1 2 348.447 0.794 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)nn1 ZINC001058253603 773848969 /nfs/dbraw/zinc/84/89/69/773848969.db2.gz ZTCCWIKUPFDPTB-CYBMUJFWSA-N 1 2 327.392 0.961 20 30 ECEDLO N#Cc1cnc(N2CCC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cn1 ZINC001058265213 773878813 /nfs/dbraw/zinc/87/88/13/773878813.db2.gz BXFDKRXYMQPIIC-MRVWCRGKSA-N 1 2 337.387 0.960 20 30 ECEDLO N#Cc1cnc(N2CCC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cn1 ZINC001058265213 773878820 /nfs/dbraw/zinc/87/88/20/773878820.db2.gz BXFDKRXYMQPIIC-MRVWCRGKSA-N 1 2 337.387 0.960 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001058287885 773922951 /nfs/dbraw/zinc/92/29/51/773922951.db2.gz HZASPHYLGYCLSU-UHFFFAOYSA-N 1 2 336.436 0.882 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001058287885 773922956 /nfs/dbraw/zinc/92/29/56/773922956.db2.gz HZASPHYLGYCLSU-UHFFFAOYSA-N 1 2 336.436 0.882 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NC[C@]1(O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001040630196 783136101 /nfs/dbraw/zinc/13/61/01/783136101.db2.gz QSLLVLNVTKFUDJ-WMLDXEAASA-N 1 2 334.420 0.565 20 30 ECEDLO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001058305726 773942034 /nfs/dbraw/zinc/94/20/34/773942034.db2.gz FPLJJBBJWIJXGF-ZDUSSCGKSA-N 1 2 336.436 0.738 20 30 ECEDLO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001058305726 773942040 /nfs/dbraw/zinc/94/20/40/773942040.db2.gz FPLJJBBJWIJXGF-ZDUSSCGKSA-N 1 2 336.436 0.738 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(c3[nH+]cnc4c3cnn4C)C2)cn1 ZINC001058407579 774123028 /nfs/dbraw/zinc/12/30/28/774123028.db2.gz PAXYYAOEKAPCOT-AWEZNQCLSA-N 1 2 347.382 0.748 20 30 ECEDLO N#Cc1nccc(N2CC[C@H](NC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)n1 ZINC001058475092 774257780 /nfs/dbraw/zinc/25/77/80/774257780.db2.gz ZQTUFMCITDKUMW-OLZOCXBDSA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)nn1 ZINC001058480861 774270796 /nfs/dbraw/zinc/27/07/96/774270796.db2.gz CPQSCPDRBRFLKL-TZMCWYRMSA-N 1 2 337.387 0.502 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(c2ccc(C#N)nn2)C1 ZINC001058548362 774412759 /nfs/dbraw/zinc/41/27/59/774412759.db2.gz MYKWRVOUBSMFGH-BFHYXJOUSA-N 1 2 337.387 0.580 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](Cc3ccn(C)c(=O)c3)C2)cn1 ZINC001044206188 775917115 /nfs/dbraw/zinc/91/71/15/775917115.db2.gz VUFGJTNSJRCIBF-UHFFFAOYSA-N 1 2 336.395 0.718 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2ccc(CC)cn2)[C@@H](n2ccnn2)C1 ZINC001070035192 790402563 /nfs/dbraw/zinc/40/25/63/790402563.db2.gz NVSODSPDQSDDBI-SJORKVTESA-N 1 2 338.415 0.453 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2ccc(CC)cn2)[C@@H](n2ccnn2)C1 ZINC001070035192 790402568 /nfs/dbraw/zinc/40/25/68/790402568.db2.gz NVSODSPDQSDDBI-SJORKVTESA-N 1 2 338.415 0.453 20 30 ECEDLO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001044475685 776336707 /nfs/dbraw/zinc/33/67/07/776336707.db2.gz YGWMGGBWVKBHSE-CYBMUJFWSA-N 1 2 346.431 0.347 20 30 ECEDLO C=CCCC(=O)NCC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CCOCC1 ZINC001070052125 790458058 /nfs/dbraw/zinc/45/80/58/790458058.db2.gz ICZYZIIZSFJYKO-AWEZNQCLSA-N 1 2 339.436 0.065 20 30 ECEDLO C=CCCC(=O)NCC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC001070052125 790458062 /nfs/dbraw/zinc/45/80/62/790458062.db2.gz ICZYZIIZSFJYKO-AWEZNQCLSA-N 1 2 339.436 0.065 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001079642445 776588053 /nfs/dbraw/zinc/58/80/53/776588053.db2.gz AERHGSCKWKFUGC-SZEHBUNVSA-N 1 2 332.198 0.440 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001079642445 776588058 /nfs/dbraw/zinc/58/80/58/776588058.db2.gz AERHGSCKWKFUGC-SZEHBUNVSA-N 1 2 332.198 0.440 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)nn(CC)c2C)[C@@H](n2ccnn2)C1 ZINC001070054469 790464152 /nfs/dbraw/zinc/46/41/52/790464152.db2.gz ZECYCYKZXFHSAC-CABCVRRESA-N 1 2 341.419 0.400 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)nn(CC)c2C)[C@@H](n2ccnn2)C1 ZINC001070054469 790464158 /nfs/dbraw/zinc/46/41/58/790464158.db2.gz ZECYCYKZXFHSAC-CABCVRRESA-N 1 2 341.419 0.400 20 30 ECEDLO CCN(C(=O)CCc1[nH]cc[nH+]1)C1CN(C(=O)CSCC#N)C1 ZINC001079689589 776691401 /nfs/dbraw/zinc/69/14/01/776691401.db2.gz GIRTUGYQLVBYFM-UHFFFAOYSA-N 1 2 335.433 0.658 20 30 ECEDLO C#CCOCCC(=O)N(CC)C1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001079773493 776841514 /nfs/dbraw/zinc/84/15/14/776841514.db2.gz NHSYPWXODSKBFX-HNNXBMFYSA-N 1 2 346.431 0.933 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(CC)C1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001079776500 776851739 /nfs/dbraw/zinc/85/17/39/776851739.db2.gz HYDGEBPQXLJUDV-GJZGRUSLSA-N 1 2 346.431 0.932 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3ccns3)C2)C1=O ZINC001079791172 776874922 /nfs/dbraw/zinc/87/49/22/776874922.db2.gz WBKOCHWCPJXMKZ-JHJVBQTASA-N 1 2 334.445 0.980 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3ccns3)C2)C1=O ZINC001079791172 776874929 /nfs/dbraw/zinc/87/49/29/776874929.db2.gz WBKOCHWCPJXMKZ-JHJVBQTASA-N 1 2 334.445 0.980 20 30 ECEDLO C#CCOCCC(=O)N1CC(N(CC)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001079792733 776877052 /nfs/dbraw/zinc/87/70/52/776877052.db2.gz DYDWQUOMOXZEKR-HNNXBMFYSA-N 1 2 346.431 0.933 20 30 ECEDLO C=CCOCC(=O)NC[C@H]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)O1 ZINC001068539037 790514932 /nfs/dbraw/zinc/51/49/32/790514932.db2.gz DZUPWXLKWDKKEB-CQSZACIVSA-N 1 2 348.403 0.031 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)cc2OC)[C@@H](n2ccnn2)C1 ZINC001070079659 790532337 /nfs/dbraw/zinc/53/23/37/790532337.db2.gz LOWXVNONBBOPSV-CVEARBPZSA-N 1 2 339.399 0.884 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)cc2OC)[C@@H](n2ccnn2)C1 ZINC001070079659 790532344 /nfs/dbraw/zinc/53/23/44/790532344.db2.gz LOWXVNONBBOPSV-CVEARBPZSA-N 1 2 339.399 0.884 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2c(C)n(C)nc2Cl)[C@@H](n2ccnn2)C1 ZINC001070084428 790547508 /nfs/dbraw/zinc/54/75/08/790547508.db2.gz BXUPSVSRJHZJJG-NEPJUHHUSA-N 1 2 349.826 0.815 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2c(C)n(C)nc2Cl)[C@@H](n2ccnn2)C1 ZINC001070084428 790547513 /nfs/dbraw/zinc/54/75/13/790547513.db2.gz BXUPSVSRJHZJJG-NEPJUHHUSA-N 1 2 349.826 0.815 20 30 ECEDLO CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001080420151 777827385 /nfs/dbraw/zinc/82/73/85/777827385.db2.gz OFVPCLXSOQZMAR-CZUORRHYSA-N 1 2 343.431 0.903 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2cccc(F)c2)[C@@H](n2ccnn2)C1 ZINC001070090127 790569976 /nfs/dbraw/zinc/56/99/76/790569976.db2.gz QROWELZNTJQAQQ-CVEARBPZSA-N 1 2 327.363 0.635 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2cccc(F)c2)[C@@H](n2ccnn2)C1 ZINC001070090127 790569984 /nfs/dbraw/zinc/56/99/84/790569984.db2.gz QROWELZNTJQAQQ-CVEARBPZSA-N 1 2 327.363 0.635 20 30 ECEDLO C=CCC(CC=C)C(=O)NCC1(O)CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001043187872 777913706 /nfs/dbraw/zinc/91/37/06/777913706.db2.gz XCRWZRIHHNZHFP-UHFFFAOYSA-N 1 2 332.404 0.410 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cn2ccc3ccccc32)[C@@H](n2ccnn2)C1 ZINC001070099973 790603858 /nfs/dbraw/zinc/60/38/58/790603858.db2.gz XXVQJESXVPAFST-AEFFLSMTSA-N 1 2 348.410 0.908 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cn2ccc3ccccc32)[C@@H](n2ccnn2)C1 ZINC001070099973 790603863 /nfs/dbraw/zinc/60/38/63/790603863.db2.gz XXVQJESXVPAFST-AEFFLSMTSA-N 1 2 348.410 0.908 20 30 ECEDLO CC(C)C[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H](C)C#N)C1)n1cc[nH+]c1 ZINC001043487989 778411361 /nfs/dbraw/zinc/41/13/61/778411361.db2.gz DOFWGLHQIVAHHJ-KBPBESRZSA-N 1 2 347.419 0.319 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)[C@@H](n2ccnn2)C1 ZINC001070105720 790621406 /nfs/dbraw/zinc/62/14/06/790621406.db2.gz CDSWDAHLNLXHLM-ONNAEPBLSA-N 1 2 325.416 0.545 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)[C@@H](n2ccnn2)C1 ZINC001070105720 790621411 /nfs/dbraw/zinc/62/14/11/790621411.db2.gz CDSWDAHLNLXHLM-ONNAEPBLSA-N 1 2 325.416 0.545 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001043524434 778463603 /nfs/dbraw/zinc/46/36/03/778463603.db2.gz HUJZISXWZOYTKU-MRXNPFEDSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001043524434 778463611 /nfs/dbraw/zinc/46/36/11/778463611.db2.gz HUJZISXWZOYTKU-MRXNPFEDSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C1CCC(C(=O)N2CC(O)(CNC(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001043526286 778470104 /nfs/dbraw/zinc/47/01/04/778470104.db2.gz VAAQSEYSXWWPQK-UHFFFAOYSA-N 1 2 346.431 0.778 20 30 ECEDLO C=C1CCC(C(=O)N2CC(O)(CNC(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001043526286 778470106 /nfs/dbraw/zinc/47/01/06/778470106.db2.gz VAAQSEYSXWWPQK-UHFFFAOYSA-N 1 2 346.431 0.778 20 30 ECEDLO CC(C)C#CC(=O)NC1(CNC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001070108623 790630293 /nfs/dbraw/zinc/63/02/93/790630293.db2.gz JAANSMJJARVMNO-UHFFFAOYSA-N 1 2 332.404 0.393 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001043620833 778608021 /nfs/dbraw/zinc/60/80/21/778608021.db2.gz CRLHWADRYZZCOO-CYBMUJFWSA-N 1 2 346.431 0.347 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C(F)=C(C)C)C1 ZINC001043649530 778665712 /nfs/dbraw/zinc/66/57/12/778665712.db2.gz NLRNBXUDZCLEDB-ZDUSSCGKSA-N 1 2 337.395 0.037 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C(F)=C(C)C)C1 ZINC001043649530 778665714 /nfs/dbraw/zinc/66/57/14/778665714.db2.gz NLRNBXUDZCLEDB-ZDUSSCGKSA-N 1 2 337.395 0.037 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C2(CCC)CC2)C1 ZINC001043650157 778667558 /nfs/dbraw/zinc/66/75/58/778667558.db2.gz QNVIDWHEPCACRC-HNNXBMFYSA-N 1 2 347.459 0.354 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C2(CCC)CC2)C1 ZINC001043650157 778667561 /nfs/dbraw/zinc/66/75/61/778667561.db2.gz QNVIDWHEPCACRC-HNNXBMFYSA-N 1 2 347.459 0.354 20 30 ECEDLO C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001043670729 778694647 /nfs/dbraw/zinc/69/46/47/778694647.db2.gz FGRPPZCGSYTDPY-CHWSQXEVSA-N 1 2 332.404 0.559 20 30 ECEDLO C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001043670729 778694651 /nfs/dbraw/zinc/69/46/51/778694651.db2.gz FGRPPZCGSYTDPY-CHWSQXEVSA-N 1 2 332.404 0.559 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001043672724 778698211 /nfs/dbraw/zinc/69/82/11/778698211.db2.gz YFTLMLVIUMLFJY-PBFPGSCMSA-N 1 2 346.431 0.805 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001043672724 778698213 /nfs/dbraw/zinc/69/82/13/778698213.db2.gz YFTLMLVIUMLFJY-PBFPGSCMSA-N 1 2 346.431 0.805 20 30 ECEDLO CC(C)C#CC(=O)N1CC(O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001043696555 778737326 /nfs/dbraw/zinc/73/73/26/778737326.db2.gz BOHSZARHKDMTRT-UHFFFAOYSA-N 1 2 332.404 0.012 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070115940 790656854 /nfs/dbraw/zinc/65/68/54/790656854.db2.gz FNKLVWFMBGDCHM-IMJJTQAJSA-N 1 2 331.420 0.316 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070115940 790656859 /nfs/dbraw/zinc/65/68/59/790656859.db2.gz FNKLVWFMBGDCHM-IMJJTQAJSA-N 1 2 331.420 0.316 20 30 ECEDLO Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)C23CCC3)n1 ZINC001078599206 780199989 /nfs/dbraw/zinc/19/99/89/780199989.db2.gz QEJUKQDLKYOBMM-QWHCGFSZSA-N 1 2 340.391 0.241 20 30 ECEDLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CCC2(CN(C(=O)C#CC3CC3)C2)O1 ZINC001068640559 790775746 /nfs/dbraw/zinc/77/57/46/790775746.db2.gz MSSHZVNSANCSIH-HNNXBMFYSA-N 1 2 342.399 0.242 20 30 ECEDLO O=C(C#CC1CC1)NCC1(NC(=O)Cn2cc[nH+]c2)CCOCC1 ZINC001070158705 790781995 /nfs/dbraw/zinc/78/19/95/790781995.db2.gz BFGOCHPECSBWLR-UHFFFAOYSA-N 1 2 330.388 0.078 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1C[NH+](CCCN2CCCC2=O)C1 ZINC001042614580 780531755 /nfs/dbraw/zinc/53/17/55/780531755.db2.gz UCTKKOGUZAZXMG-UHFFFAOYSA-N 1 2 329.404 0.655 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001078962583 780657423 /nfs/dbraw/zinc/65/74/23/780657423.db2.gz TYDZNWAXYNQMAA-LSDHHAIUSA-N 1 2 346.431 0.830 20 30 ECEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnsn2)C1 ZINC001079127016 780785987 /nfs/dbraw/zinc/78/59/87/780785987.db2.gz GXHHYHAPLDSTMN-HZPDHXFCSA-N 1 2 342.424 0.859 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnsn2)C1 ZINC001079127016 780785998 /nfs/dbraw/zinc/78/59/98/780785998.db2.gz GXHHYHAPLDSTMN-HZPDHXFCSA-N 1 2 342.424 0.859 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001079434392 781113447 /nfs/dbraw/zinc/11/34/47/781113447.db2.gz LNIAVYLHMBJKOY-YUSALJHKSA-N 1 2 333.226 0.747 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001079434392 781113452 /nfs/dbraw/zinc/11/34/52/781113452.db2.gz LNIAVYLHMBJKOY-YUSALJHKSA-N 1 2 333.226 0.747 20 30 ECEDLO C#CCCCCC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001079540954 781242366 /nfs/dbraw/zinc/24/23/66/781242366.db2.gz BKDQAKJZBZSOSV-MRXNPFEDSA-N 1 2 335.448 0.570 20 30 ECEDLO C#CCCCCC(=O)N1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001079540954 781242367 /nfs/dbraw/zinc/24/23/67/781242367.db2.gz BKDQAKJZBZSOSV-MRXNPFEDSA-N 1 2 335.448 0.570 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3occc3C)C2)C1=O ZINC001077645853 781417917 /nfs/dbraw/zinc/41/79/17/781417917.db2.gz ZTIPOZZDAGZFFN-QLFBSQMISA-N 1 2 347.415 0.079 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3occc3C)C2)C1=O ZINC001077645853 781417918 /nfs/dbraw/zinc/41/79/18/781417918.db2.gz ZTIPOZZDAGZFFN-QLFBSQMISA-N 1 2 347.415 0.079 20 30 ECEDLO CN(c1ccnc(C#N)n1)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001068685010 790898298 /nfs/dbraw/zinc/89/82/98/790898298.db2.gz XUCRQADTDORCPX-UHFFFAOYSA-N 1 2 339.403 0.752 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cscn3)C2)s1 ZINC001077787156 781693009 /nfs/dbraw/zinc/69/30/09/781693009.db2.gz MBPDXJIFZVBUBS-ZIAGYGMSSA-N 1 2 348.453 0.980 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3cscn3)C2)s1 ZINC001077787156 781693014 /nfs/dbraw/zinc/69/30/14/781693014.db2.gz MBPDXJIFZVBUBS-ZIAGYGMSSA-N 1 2 348.453 0.980 20 30 ECEDLO C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CNc1ccnc(C#N)n1 ZINC001039893959 783236891 /nfs/dbraw/zinc/23/68/91/783236891.db2.gz VJAKRNPATOLBRE-QWHCGFSZSA-N 1 2 339.403 0.632 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040696695 783287050 /nfs/dbraw/zinc/28/70/50/783287050.db2.gz MLNYFZJKYWWABC-GUYCJALGSA-N 1 2 334.420 0.634 20 30 ECEDLO C=CCCCC(=O)NC[C@@]1(O)CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001040729456 783341203 /nfs/dbraw/zinc/34/12/03/783341203.db2.gz PPVZYMZLKGGIRT-KRWDZBQOSA-N 1 2 334.420 0.399 20 30 ECEDLO C=C(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001039987005 783359579 /nfs/dbraw/zinc/35/95/79/783359579.db2.gz JSWRFCNVXYSVIG-SFHVURJKSA-N 1 2 348.447 0.789 20 30 ECEDLO O=C(C#CC1CC1)NCC1(NC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001070219362 783683731 /nfs/dbraw/zinc/68/37/31/783683731.db2.gz MTXRGTJJUYIJCC-UHFFFAOYSA-N 1 2 330.388 0.147 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)C1=O ZINC001038175321 783950811 /nfs/dbraw/zinc/95/08/11/783950811.db2.gz OGOQQWDLZDJFBA-HUUCEWRRSA-N 1 2 327.388 0.477 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)c2c[nH]c(C#N)c2)C1=O ZINC001038175321 783950814 /nfs/dbraw/zinc/95/08/14/783950814.db2.gz OGOQQWDLZDJFBA-HUUCEWRRSA-N 1 2 327.388 0.477 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1cscn1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070441571 784081534 /nfs/dbraw/zinc/08/15/34/784081534.db2.gz XMYZNNDEYISPHM-GFCCVEGCSA-N 1 2 342.428 0.744 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1ccnn1C)C[C@H]2c1nnc(C)[nH]1 ZINC001070442438 784085465 /nfs/dbraw/zinc/08/54/65/784085465.db2.gz IHKOEGFHLAZETE-ZDUSSCGKSA-N 1 2 339.403 0.021 20 30 ECEDLO CC#CC[NH+]1CC2(C1)CN(C(=O)[C@@H](CC)OC)C[C@H]2c1nnc(C)[nH]1 ZINC001070442638 784086561 /nfs/dbraw/zinc/08/65/61/784086561.db2.gz LFUMYJSYUQQNEM-LSDHHAIUSA-N 1 2 345.447 0.789 20 30 ECEDLO CC#CC[NH+]1CC2(C1)CN(C(=O)[C@H](C)C#N)C[C@H]2c1nnc(C)[nH]1 ZINC001070442695 784086907 /nfs/dbraw/zinc/08/69/07/784086907.db2.gz MUHDMQFASVZXKR-OCCSQVGLSA-N 1 2 326.404 0.524 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cocn2)C1 ZINC001070906836 784091775 /nfs/dbraw/zinc/09/17/75/784091775.db2.gz INKFYRWAIDUZIX-CFVMTHIKSA-N 1 2 344.371 0.417 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cocn2)C1 ZINC001070906836 784091778 /nfs/dbraw/zinc/09/17/78/784091778.db2.gz INKFYRWAIDUZIX-CFVMTHIKSA-N 1 2 344.371 0.417 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2n[nH]cc2C)C1 ZINC001070913620 784105493 /nfs/dbraw/zinc/10/54/93/784105493.db2.gz RIMNPRNTKKKKHX-MJBXVCDLSA-N 1 2 345.403 0.624 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2n[nH]cc2C)C1 ZINC001070913620 784105500 /nfs/dbraw/zinc/10/55/00/784105500.db2.gz RIMNPRNTKKKKHX-MJBXVCDLSA-N 1 2 345.403 0.624 20 30 ECEDLO N#CCSCC(=O)N1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001070454860 784121656 /nfs/dbraw/zinc/12/16/56/784121656.db2.gz UNLFCXNDJLIBKY-CYBMUJFWSA-N 1 2 335.433 0.637 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2[nH]cnc2C)C1 ZINC001070926658 784130379 /nfs/dbraw/zinc/13/03/79/784130379.db2.gz JMJBNVJEYBESOM-MCIONIFRSA-N 1 2 345.403 0.624 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2[nH]cnc2C)C1 ZINC001070926658 784130386 /nfs/dbraw/zinc/13/03/86/784130386.db2.gz JMJBNVJEYBESOM-MCIONIFRSA-N 1 2 345.403 0.624 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2cnsn2)C1 ZINC001070476264 784158368 /nfs/dbraw/zinc/15/83/68/784158368.db2.gz FGHRICRZPKIMCK-VHRBIJSZSA-N 1 2 345.432 0.515 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]Cc2ncccn2)C1 ZINC001070476722 784159482 /nfs/dbraw/zinc/15/94/82/784159482.db2.gz XAVOVFAIGKXNCL-KCQAQPDRSA-N 1 2 339.403 0.454 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2c(C)noc2C)CC1 ZINC001070937200 784161900 /nfs/dbraw/zinc/16/19/00/784161900.db2.gz NCOMXOOELCRJPX-UHFFFAOYSA-N 1 2 332.404 0.579 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2c(C)noc2C)CC1 ZINC001070937200 784161904 /nfs/dbraw/zinc/16/19/04/784161904.db2.gz NCOMXOOELCRJPX-UHFFFAOYSA-N 1 2 332.404 0.579 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001070955082 784216464 /nfs/dbraw/zinc/21/64/64/784216464.db2.gz JSAWLHHISCFIAH-UHFFFAOYSA-N 1 2 329.404 0.727 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001070955082 784216471 /nfs/dbraw/zinc/21/64/71/784216471.db2.gz JSAWLHHISCFIAH-UHFFFAOYSA-N 1 2 329.404 0.727 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)c2ccnn2C)CC1 ZINC001070964602 784249793 /nfs/dbraw/zinc/24/97/93/784249793.db2.gz QYKONVPWVPQUKL-CQSZACIVSA-N 1 2 333.436 0.360 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)c2ccnn2C)CC1 ZINC001070964602 784249800 /nfs/dbraw/zinc/24/98/00/784249800.db2.gz QYKONVPWVPQUKL-CQSZACIVSA-N 1 2 333.436 0.360 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc3n(n2)CCC3)CC1 ZINC001070969331 784263929 /nfs/dbraw/zinc/26/39/29/784263929.db2.gz MAMGLRSCCISPCR-UHFFFAOYSA-N 1 2 343.431 0.117 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc3n(n2)CCC3)CC1 ZINC001070969331 784263934 /nfs/dbraw/zinc/26/39/34/784263934.db2.gz MAMGLRSCCISPCR-UHFFFAOYSA-N 1 2 343.431 0.117 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001070553286 784264902 /nfs/dbraw/zinc/26/49/02/784264902.db2.gz ICFSKMOABSFNFG-HUUCEWRRSA-N 1 2 346.431 0.755 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2scnc2CC)CC1 ZINC001070969508 784265301 /nfs/dbraw/zinc/26/53/01/784265301.db2.gz UUCFHSGZPOIBMX-UHFFFAOYSA-N 1 2 348.472 0.993 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2scnc2CC)CC1 ZINC001070969508 784265305 /nfs/dbraw/zinc/26/53/05/784265305.db2.gz UUCFHSGZPOIBMX-UHFFFAOYSA-N 1 2 348.472 0.993 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cnc(C3CC3)o2)CC1 ZINC001070970395 784268936 /nfs/dbraw/zinc/26/89/36/784268936.db2.gz CJNVYDBZNXWDOV-UHFFFAOYSA-N 1 2 344.415 0.839 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cnc(C3CC3)o2)CC1 ZINC001070970395 784268942 /nfs/dbraw/zinc/26/89/42/784268942.db2.gz CJNVYDBZNXWDOV-UHFFFAOYSA-N 1 2 344.415 0.839 20 30 ECEDLO C=CCn1cccc1C(=O)N1CCC(=O)NCC[N@@H+](CCOC)CC1 ZINC001070970732 784270384 /nfs/dbraw/zinc/27/03/84/784270384.db2.gz UTRYCZVWLFHQLL-UHFFFAOYSA-N 1 2 348.447 0.585 20 30 ECEDLO C=CCn1cccc1C(=O)N1CCC(=O)NCC[N@H+](CCOC)CC1 ZINC001070970732 784270390 /nfs/dbraw/zinc/27/03/90/784270390.db2.gz UTRYCZVWLFHQLL-UHFFFAOYSA-N 1 2 348.447 0.585 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2ccc(F)cn2)CC1 ZINC001070974974 784287037 /nfs/dbraw/zinc/28/70/37/784287037.db2.gz AEAIVKCGKVXLGI-UHFFFAOYSA-N 1 2 334.395 0.600 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2ccc(F)cn2)CC1 ZINC001070974974 784287043 /nfs/dbraw/zinc/28/70/43/784287043.db2.gz AEAIVKCGKVXLGI-UHFFFAOYSA-N 1 2 334.395 0.600 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)c2ncnc3[nH]ccc32)CC1 ZINC001070977667 784295711 /nfs/dbraw/zinc/29/57/11/784295711.db2.gz BJQWYHBMQUQLGB-UHFFFAOYSA-N 1 2 342.403 0.360 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)c2ncnc3[nH]ccc32)CC1 ZINC001070977667 784295719 /nfs/dbraw/zinc/29/57/19/784295719.db2.gz BJQWYHBMQUQLGB-UHFFFAOYSA-N 1 2 342.403 0.360 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1 ZINC001070978872 784300916 /nfs/dbraw/zinc/30/09/16/784300916.db2.gz HYQLGLZRQJJGCA-KRWDZBQOSA-N 1 2 343.427 0.827 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1 ZINC001070978872 784300926 /nfs/dbraw/zinc/30/09/26/784300926.db2.gz HYQLGLZRQJJGCA-KRWDZBQOSA-N 1 2 343.427 0.827 20 30 ECEDLO C=C(C)CN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001070580327 784321467 /nfs/dbraw/zinc/32/14/67/784321467.db2.gz NDVVBVVSJSCFKD-UONOGXRCSA-N 1 2 348.451 0.465 20 30 ECEDLO C=C(C)CN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001070580327 784321471 /nfs/dbraw/zinc/32/14/71/784321471.db2.gz NDVVBVVSJSCFKD-UONOGXRCSA-N 1 2 348.451 0.465 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)Oc2cccnc2)CC1 ZINC001070998834 784365080 /nfs/dbraw/zinc/36/50/80/784365080.db2.gz VVCBQQBMDGNOQK-OAHLLOKOSA-N 1 2 346.431 0.685 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)Oc2cccnc2)CC1 ZINC001070998834 784365093 /nfs/dbraw/zinc/36/50/93/784365093.db2.gz VVCBQQBMDGNOQK-OAHLLOKOSA-N 1 2 346.431 0.685 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(C)nn2CC)CC1 ZINC001071002013 784377420 /nfs/dbraw/zinc/37/74/20/784377420.db2.gz XZIBJHRSCLZWPE-UHFFFAOYSA-N 1 2 333.436 0.662 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C)nn2CC)CC1 ZINC001071002013 784377429 /nfs/dbraw/zinc/37/74/29/784377429.db2.gz XZIBJHRSCLZWPE-UHFFFAOYSA-N 1 2 333.436 0.662 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cnc(C)nc2C)CC1 ZINC001071009324 784399127 /nfs/dbraw/zinc/39/91/27/784399127.db2.gz LJPATHBTRMAFBV-UHFFFAOYSA-N 1 2 343.431 0.381 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cnc(C)nc2C)CC1 ZINC001071009324 784399134 /nfs/dbraw/zinc/39/91/34/784399134.db2.gz LJPATHBTRMAFBV-UHFFFAOYSA-N 1 2 343.431 0.381 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CCC[C@@H](NC(=O)CCn3cc[nH+]c3)C2)c1 ZINC001070598588 784410675 /nfs/dbraw/zinc/41/06/75/784410675.db2.gz KRSKRKZEQZGLCN-CQSZACIVSA-N 1 2 340.387 0.894 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2cnccn2)CC1 ZINC001071013218 784412691 /nfs/dbraw/zinc/41/26/91/784412691.db2.gz UVLVWEAKSJRYTP-UHFFFAOYSA-N 1 2 331.420 0.246 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCc2cnccn2)CC1 ZINC001071013218 784412693 /nfs/dbraw/zinc/41/26/93/784412693.db2.gz UVLVWEAKSJRYTP-UHFFFAOYSA-N 1 2 331.420 0.246 20 30 ECEDLO 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/nfs/dbraw/zinc/59/98/71/784599871.db2.gz QXAMGUHPAOMLNP-QLFBSQMISA-N 1 2 343.431 0.644 20 30 ECEDLO C=CCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001070728915 784610319 /nfs/dbraw/zinc/61/03/19/784610319.db2.gz OQNZYDRGPXAKSV-RWMBFGLXSA-N 1 2 336.415 0.786 20 30 ECEDLO C=CCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001070728915 784610321 /nfs/dbraw/zinc/61/03/21/784610321.db2.gz OQNZYDRGPXAKSV-RWMBFGLXSA-N 1 2 336.415 0.786 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001070730901 784617997 /nfs/dbraw/zinc/61/79/97/784617997.db2.gz XNAPWPHWDPCEMY-ZIAGYGMSSA-N 1 2 332.404 0.406 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)c1cnnn1C)C[C@H](C)O2 ZINC001071166686 784641306 /nfs/dbraw/zinc/64/13/06/784641306.db2.gz MBFTXNWHYWTHNK-WFASDCNBSA-N 1 2 339.827 0.873 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cnnn1C)C[C@H](C)O2 ZINC001071166686 784641313 /nfs/dbraw/zinc/64/13/13/784641313.db2.gz 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C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nc[nH]n1)C[C@@H](C)O2 ZINC001071218219 784762758 /nfs/dbraw/zinc/76/27/58/784762758.db2.gz KPXGCZFTZOBSAT-RISCZKNCSA-N 1 2 325.800 0.863 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@H]3CCCO3)C2)C(=O)C1 ZINC001071252982 784842125 /nfs/dbraw/zinc/84/21/25/784842125.db2.gz DFLPAICLUADFLL-HZPDHXFCSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@H]3CCCO3)C2)C(=O)C1 ZINC001071252982 784842130 /nfs/dbraw/zinc/84/21/30/784842130.db2.gz DFLPAICLUADFLL-HZPDHXFCSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3ccon3)C2)C(=O)C1 ZINC001071255750 784852391 /nfs/dbraw/zinc/85/23/91/784852391.db2.gz VKYGLNRCSGKRTA-CQSZACIVSA-N 1 2 330.388 0.447 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3ccon3)C2)C(=O)C1 ZINC001071255750 784852400 /nfs/dbraw/zinc/85/24/00/784852400.db2.gz VKYGLNRCSGKRTA-CQSZACIVSA-N 1 2 330.388 0.447 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3cocn3)C2)C(=O)C1 ZINC001071257028 784857465 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337.464 0.715 20 30 ECEDLO C=CCN1CCN([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C(=O)C1 ZINC001071273781 784910937 /nfs/dbraw/zinc/91/09/37/784910937.db2.gz HITQEOJVRPZJDU-HNNXBMFYSA-N 1 2 331.420 0.273 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3ncccn3)C2)C(=O)C1 ZINC001071277358 784923266 /nfs/dbraw/zinc/92/32/66/784923266.db2.gz RVWWMXWGJLGAAF-OAHLLOKOSA-N 1 2 341.415 0.249 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3ncccn3)C2)C(=O)C1 ZINC001071277358 784923271 /nfs/dbraw/zinc/92/32/71/784923271.db2.gz RVWWMXWGJLGAAF-OAHLLOKOSA-N 1 2 341.415 0.249 20 30 ECEDLO C=CCCC(=O)N[C@H]1COC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001068754297 791076405 /nfs/dbraw/zinc/07/64/05/791076405.db2.gz ZGXVRCJBMVMIGS-CYBMUJFWSA-N 1 2 332.404 0.795 20 30 ECEDLO C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001071805403 785131101 /nfs/dbraw/zinc/13/11/01/785131101.db2.gz NVNPUNWPDBAOCB-DZGCQCFKSA-N 1 2 347.415 0.798 20 30 ECEDLO C=CCOCC(=O)N[C@H]1COC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001068763890 791096189 /nfs/dbraw/zinc/09/61/89/791096189.db2.gz DYJCBWQMBJQMAM-CQSZACIVSA-N 1 2 348.403 0.031 20 30 ECEDLO C=CCOCC(=O)N[C@H]1COC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001068763890 791096194 /nfs/dbraw/zinc/09/61/94/791096194.db2.gz DYJCBWQMBJQMAM-CQSZACIVSA-N 1 2 348.403 0.031 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)CC[C@H]1C ZINC001071739484 785620392 /nfs/dbraw/zinc/62/03/92/785620392.db2.gz UCOWPMNOMGJFOJ-OLZOCXBDSA-N 1 2 328.844 0.140 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)CC[C@H]1C ZINC001071739484 785620394 /nfs/dbraw/zinc/62/03/94/785620394.db2.gz UCOWPMNOMGJFOJ-OLZOCXBDSA-N 1 2 328.844 0.140 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001072511154 786303818 /nfs/dbraw/zinc/30/38/18/786303818.db2.gz XDLHFUJMAAATTA-CABCVRRESA-N 1 2 346.431 0.356 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1NC(=O)C#CC1CC1 ZINC001072515699 786313874 /nfs/dbraw/zinc/31/38/74/786313874.db2.gz KFVUNNWHUWIOHW-XJKSGUPXSA-N 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HEYAHXBBCMBMGK-HUUCEWRRSA-N 1 2 332.404 0.272 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C[C@H]21 ZINC001074268264 786550629 /nfs/dbraw/zinc/55/06/29/786550629.db2.gz HEYAHXBBCMBMGK-HUUCEWRRSA-N 1 2 332.404 0.272 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3nc(CC)c[nH]3)C[C@@H]21 ZINC001074269206 786552575 /nfs/dbraw/zinc/55/25/75/786552575.db2.gz SXPFJOZDZIVNPY-HOTGVXAUSA-N 1 2 330.432 0.840 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3nc(CC)c[nH]3)C[C@@H]21 ZINC001074269206 786552578 /nfs/dbraw/zinc/55/25/78/786552578.db2.gz SXPFJOZDZIVNPY-HOTGVXAUSA-N 1 2 330.432 0.840 20 30 ECEDLO C#CCN1CCO[C@@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]21 ZINC001074276229 786568590 /nfs/dbraw/zinc/56/85/90/786568590.db2.gz JWQFRVQONXMFCY-HZPDHXFCSA-N 1 2 330.432 0.862 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N1CC[C@H]2OCCN(CC#N)[C@@H]2C1 ZINC001074277111 786571687 /nfs/dbraw/zinc/57/16/87/786571687.db2.gz XDKYGJQGCRAKOE-GDBMZVCRSA-N 1 2 330.388 0.458 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@@H]21 ZINC001074294559 786614966 /nfs/dbraw/zinc/61/49/66/786614966.db2.gz PGUVOPZZBLACLT-JKSUJKDBSA-N 1 2 344.415 0.604 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@@H]21 ZINC001074294559 786614973 /nfs/dbraw/zinc/61/49/73/786614973.db2.gz PGUVOPZZBLACLT-JKSUJKDBSA-N 1 2 344.415 0.604 20 30 ECEDLO Cn1nncc1C[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001073566857 786627048 /nfs/dbraw/zinc/62/70/48/786627048.db2.gz VYNYKJZKHIYERA-AWEZNQCLSA-N 1 2 343.391 0.036 20 30 ECEDLO Cn1nncc1C[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001073566857 786627054 /nfs/dbraw/zinc/62/70/54/786627054.db2.gz VYNYKJZKHIYERA-AWEZNQCLSA-N 1 2 343.391 0.036 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3cn(CC)nn3)C[C@@H]21 ZINC001074301727 786629674 /nfs/dbraw/zinc/62/96/74/786629674.db2.gz GBMHDGRCZCIDRI-HOTGVXAUSA-N 1 2 331.420 0.166 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3cn(CC)nn3)C[C@@H]21 ZINC001074301727 786629685 /nfs/dbraw/zinc/62/96/85/786629685.db2.gz GBMHDGRCZCIDRI-HOTGVXAUSA-N 1 2 331.420 0.166 20 30 ECEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3coc(C(N)=O)c3)C[C@H]21 ZINC001074302679 786633665 /nfs/dbraw/zinc/63/36/65/786633665.db2.gz VCROBTILCSNYAG-KGLIPLIRSA-N 1 2 333.388 0.870 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3coc(C(N)=O)c3)C[C@H]21 ZINC001074302679 786633672 /nfs/dbraw/zinc/63/36/72/786633672.db2.gz VCROBTILCSNYAG-KGLIPLIRSA-N 1 2 333.388 0.870 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3nnn(CC)c3CC)C[C@H]21 ZINC001074338815 786705296 /nfs/dbraw/zinc/70/52/96/786705296.db2.gz NYMJBCJEVQGLSN-CVEARBPZSA-N 1 2 345.447 0.799 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3nnn(CC)c3CC)C[C@H]21 ZINC001074338815 786705302 /nfs/dbraw/zinc/70/53/02/786705302.db2.gz NYMJBCJEVQGLSN-CVEARBPZSA-N 1 2 345.447 0.799 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3c[nH]c(=O)cc3OC)C[C@@H]21 ZINC001074341221 786710807 /nfs/dbraw/zinc/71/08/07/786710807.db2.gz QQWXLSTVIGFHSX-GJZGRUSLSA-N 1 2 345.399 0.734 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3c[nH]c(=O)cc3OC)C[C@@H]21 ZINC001074341221 786710816 /nfs/dbraw/zinc/71/08/16/786710816.db2.gz QQWXLSTVIGFHSX-GJZGRUSLSA-N 1 2 345.399 0.734 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3ccc(C)cc3=O)C[C@@H]21 ZINC001074351902 786734252 /nfs/dbraw/zinc/73/42/52/786734252.db2.gz VVEGVSMLVSQXEX-DLBZAZTESA-N 1 2 343.427 0.482 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3ccc(C)cc3=O)C[C@@H]21 ZINC001074351902 786734259 /nfs/dbraw/zinc/73/42/59/786734259.db2.gz VVEGVSMLVSQXEX-DLBZAZTESA-N 1 2 343.427 0.482 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC(=O)N(CC)C2)C1 ZINC001073629729 786811029 /nfs/dbraw/zinc/81/10/29/786811029.db2.gz DWLUIUZKVJNCIS-KBPBESRZSA-N 1 2 343.855 0.814 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC(=O)N(CC)C2)C1 ZINC001073629729 786811041 /nfs/dbraw/zinc/81/10/41/786811041.db2.gz DWLUIUZKVJNCIS-KBPBESRZSA-N 1 2 343.855 0.814 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3cncn3C)C[C@@H]21 ZINC001074395370 786845355 /nfs/dbraw/zinc/84/53/55/786845355.db2.gz RZCCOUYAVBGSHW-DLBZAZTESA-N 1 2 330.432 0.678 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3cncn3C)C[C@@H]21 ZINC001074395370 786845365 /nfs/dbraw/zinc/84/53/65/786845365.db2.gz RZCCOUYAVBGSHW-DLBZAZTESA-N 1 2 330.432 0.678 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cnc[nH]c2=O)C1 ZINC001073652310 786878134 /nfs/dbraw/zinc/87/81/34/786878134.db2.gz WBOWCRHBUNKTBD-NSHDSACASA-N 1 2 326.784 0.755 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2cnc[nH]c2=O)C1 ZINC001073652310 786878147 /nfs/dbraw/zinc/87/81/47/786878147.db2.gz WBOWCRHBUNKTBD-NSHDSACASA-N 1 2 326.784 0.755 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001073664543 786910624 /nfs/dbraw/zinc/91/06/24/786910624.db2.gz IJGGZQBVEVDUOJ-ZIAGYGMSSA-N 1 2 343.855 0.814 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001073664543 786910630 /nfs/dbraw/zinc/91/06/30/786910630.db2.gz IJGGZQBVEVDUOJ-ZIAGYGMSSA-N 1 2 343.855 0.814 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCc3cn(C)nn3)C[C@@H]21 ZINC001074419446 786928173 /nfs/dbraw/zinc/92/81/73/786928173.db2.gz LUTGHMYIUWZUGF-HOTGVXAUSA-N 1 2 331.420 0.073 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCc3cn(C)nn3)C[C@@H]21 ZINC001074419446 786928179 /nfs/dbraw/zinc/92/81/79/786928179.db2.gz LUTGHMYIUWZUGF-HOTGVXAUSA-N 1 2 331.420 0.073 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001073729528 787074510 /nfs/dbraw/zinc/07/45/10/787074510.db2.gz ORTALVHRLFWGGP-CHWSQXEVSA-N 1 2 329.828 0.424 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001073729528 787074521 /nfs/dbraw/zinc/07/45/21/787074521.db2.gz ORTALVHRLFWGGP-CHWSQXEVSA-N 1 2 329.828 0.424 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CCC(O)(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001074598980 787366316 /nfs/dbraw/zinc/36/63/16/787366316.db2.gz PHUKHSOZNWNDTD-UHFFFAOYSA-N 1 2 348.447 0.955 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC(O)(CNC(=O)C#CC2CC2)CC1 ZINC001074657355 787524313 /nfs/dbraw/zinc/52/43/13/787524313.db2.gz JQTRXVBJLJMCCO-UHFFFAOYSA-N 1 2 344.415 0.144 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CCC(O)(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001074660238 787532442 /nfs/dbraw/zinc/53/24/42/787532442.db2.gz WPCJVLBKUCDHSL-UHFFFAOYSA-N 1 2 348.447 0.955 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001073959699 787585671 /nfs/dbraw/zinc/58/56/71/787585671.db2.gz HEXNJGXMUZWYFL-CVEARBPZSA-N 1 2 346.431 0.666 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)CC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001074024751 787709542 /nfs/dbraw/zinc/70/95/42/787709542.db2.gz IQHWWUPNCAWHIA-GXTWGEPZSA-N 1 2 349.460 0.952 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)CC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001074024751 787709548 /nfs/dbraw/zinc/70/95/48/787709548.db2.gz IQHWWUPNCAWHIA-GXTWGEPZSA-N 1 2 349.460 0.952 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](C)C1 ZINC001074107080 787890191 /nfs/dbraw/zinc/89/01/91/787890191.db2.gz LTTGSWLXMAWEMM-GJZGRUSLSA-N 1 2 348.447 0.909 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001074149907 787946052 /nfs/dbraw/zinc/94/60/52/787946052.db2.gz PYAVYMFHPXTNKD-UONOGXRCSA-N 1 2 334.420 0.898 20 30 ECEDLO C[C@H](c1nnnn1C)[N@@H+]1CCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001072639755 788482839 /nfs/dbraw/zinc/48/28/39/788482839.db2.gz GGWOCBZUQWMRRR-LLVKDONJSA-N 1 2 340.391 0.319 20 30 ECEDLO C[C@H](c1nnnn1C)[N@H+]1CCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001072639755 788482847 /nfs/dbraw/zinc/48/28/47/788482847.db2.gz GGWOCBZUQWMRRR-LLVKDONJSA-N 1 2 340.391 0.319 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC1(C)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001072988509 789231466 /nfs/dbraw/zinc/23/14/66/789231466.db2.gz YOTGIWNISJZXLN-AWEZNQCLSA-N 1 2 346.431 0.878 20 30 ECEDLO N#CCN[C@@H]1CCCO[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001075417742 789346561 /nfs/dbraw/zinc/34/65/61/789346561.db2.gz OFRIZDYRUFJJSE-NVXWUHKLSA-N 1 2 331.420 0.782 20 30 ECEDLO COc1coc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)cc1=O ZINC001075616095 789574510 /nfs/dbraw/zinc/57/45/10/789574510.db2.gz JIHWKBUVQGHRFM-SGMGOOAPSA-N 1 2 331.372 0.841 20 30 ECEDLO COc1coc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H](C)C#N)[C@@H]3C2)cc1=O ZINC001075616095 789574518 /nfs/dbraw/zinc/57/45/18/789574518.db2.gz JIHWKBUVQGHRFM-SGMGOOAPSA-N 1 2 331.372 0.841 20 30 ECEDLO N#Cc1nccc(N2CC[C@]3(NC(=O)Cc4c[nH]c[nH+]4)CCC[C@@H]23)n1 ZINC001069291400 789735774 /nfs/dbraw/zinc/73/57/74/789735774.db2.gz LSEMBYUSDBLFQQ-CXAGYDPISA-N 1 2 337.387 0.932 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1c1ccnc(C#N)n1 ZINC001069383328 789789291 /nfs/dbraw/zinc/78/92/91/789789291.db2.gz HSACUTSRRVAONP-RYUDHWBXSA-N 1 2 325.376 0.788 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1C[C@H](Nc2cncc(C#N)n2)C(C)(C)C1 ZINC001069577498 789914193 /nfs/dbraw/zinc/91/41/93/789914193.db2.gz JMHZFWJWVYTJNP-AWEZNQCLSA-N 1 2 339.403 0.973 20 30 ECEDLO CCC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCN(C(=O)[C@H](C)C#N)CC1 ZINC001069582362 789917815 /nfs/dbraw/zinc/91/78/15/789917815.db2.gz DQVLAFCYYBSLIA-ZIAGYGMSSA-N 1 2 336.436 0.364 20 30 ECEDLO CCC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN(C(=O)[C@H](C)C#N)CC1 ZINC001069582362 789917819 /nfs/dbraw/zinc/91/78/19/789917819.db2.gz DQVLAFCYYBSLIA-ZIAGYGMSSA-N 1 2 336.436 0.364 20 30 ECEDLO CC1(C)CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1Nc1ccnc(C#N)n1 ZINC001069601453 789926682 /nfs/dbraw/zinc/92/66/82/789926682.db2.gz HGEBMGUXZIXLEZ-ZDUSSCGKSA-N 1 2 339.403 0.706 20 30 ECEDLO C=CCOCC(=O)N1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001069759990 790015649 /nfs/dbraw/zinc/01/56/49/790015649.db2.gz LMSITIMNTCIBFV-GOSISDBHSA-N 1 2 346.431 0.927 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3c[nH]c(=O)n3C)c2C1 ZINC001069869464 790128813 /nfs/dbraw/zinc/12/88/13/790128813.db2.gz NTRUOWBRJNOFRA-UHFFFAOYSA-N 1 2 330.392 0.644 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3c[nH]c(=O)n3C)c2C1 ZINC001069869464 790128818 /nfs/dbraw/zinc/12/88/18/790128818.db2.gz NTRUOWBRJNOFRA-UHFFFAOYSA-N 1 2 330.392 0.644 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3cn(C)c(=O)[nH]3)c2C1 ZINC001069872723 790134530 /nfs/dbraw/zinc/13/45/30/790134530.db2.gz ZPULNRQNGIHWRP-UHFFFAOYSA-N 1 2 330.392 0.644 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3cn(C)c(=O)[nH]3)c2C1 ZINC001069872723 790134532 /nfs/dbraw/zinc/13/45/32/790134532.db2.gz ZPULNRQNGIHWRP-UHFFFAOYSA-N 1 2 330.392 0.644 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](NC(C)=O)[C@@H](n2ccnn2)C1 ZINC001069884652 790152110 /nfs/dbraw/zinc/15/21/10/790152110.db2.gz VCKSCKIGACZRPW-CVEARBPZSA-N 1 2 340.387 0.720 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](NC(C)=O)[C@@H](n2ccnn2)C1 ZINC001069884652 790152114 /nfs/dbraw/zinc/15/21/14/790152114.db2.gz VCKSCKIGACZRPW-CVEARBPZSA-N 1 2 340.387 0.720 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)nn2)[C@@H](n2ccnn2)C1 ZINC001069925854 790196524 /nfs/dbraw/zinc/19/65/24/790196524.db2.gz BFNFUJQCOONWBP-CABCVRRESA-N 1 2 325.376 0.055 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)nn2)[C@@H](n2ccnn2)C1 ZINC001069925854 790196528 /nfs/dbraw/zinc/19/65/28/790196528.db2.gz BFNFUJQCOONWBP-CABCVRRESA-N 1 2 325.376 0.055 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2(c3ccccn3)CC2)[C@@H](n2ccnn2)C1 ZINC001069927051 790198007 /nfs/dbraw/zinc/19/80/07/790198007.db2.gz GSGQILZRGFGSRX-CABCVRRESA-N 1 2 336.399 0.380 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2(c3ccccn3)CC2)[C@@H](n2ccnn2)C1 ZINC001069927051 790198008 /nfs/dbraw/zinc/19/80/08/790198008.db2.gz GSGQILZRGFGSRX-CABCVRRESA-N 1 2 336.399 0.380 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccn(CC(C)C)n2)[C@@H](n2ccnn2)C1 ZINC001069938854 790213671 /nfs/dbraw/zinc/21/36/71/790213671.db2.gz LIDMQIUZKLXCPF-CVEARBPZSA-N 1 2 341.419 0.419 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC(C)C)n2)[C@@H](n2ccnn2)C1 ZINC001069938854 790213676 /nfs/dbraw/zinc/21/36/76/790213676.db2.gz LIDMQIUZKLXCPF-CVEARBPZSA-N 1 2 341.419 0.419 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnc(C3CC3)o2)[C@@H](n2ccnn2)C1 ZINC001069948355 790227981 /nfs/dbraw/zinc/22/79/81/790227981.db2.gz XYSVAMUBPMLAHX-KGLIPLIRSA-N 1 2 340.387 0.822 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnc(C3CC3)o2)[C@@H](n2ccnn2)C1 ZINC001069948355 790227984 /nfs/dbraw/zinc/22/79/84/790227984.db2.gz XYSVAMUBPMLAHX-KGLIPLIRSA-N 1 2 340.387 0.822 20 30 ECEDLO CC(C)C#CC(=O)N1CC2(C1)C[C@H](NC(=O)CCc1[nH]cc[nH+]1)CO2 ZINC001068844701 791249346 /nfs/dbraw/zinc/24/93/46/791249346.db2.gz NXESHVMOJIXUKH-AWEZNQCLSA-N 1 2 344.415 0.488 20 30 ECEDLO CC(C)C#CC(=O)N[C@@H]1COC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001068858373 791277108 /nfs/dbraw/zinc/27/71/08/791277108.db2.gz DDNKEMLEFOLABY-AWEZNQCLSA-N 1 2 344.415 0.488 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)C[C@@H](NC(=O)Cn1cc[nH+]c1)CO2 ZINC001068915625 791410820 /nfs/dbraw/zinc/41/08/20/791410820.db2.gz LPVHKEPEZWDUBN-LSDHHAIUSA-N 1 2 346.431 0.972 20 30 ECEDLO C[C@@H]1C[C@@H](Nc2cncc(C#N)n2)CN1C(=O)Cc1c[nH+]cn1C ZINC001069121132 791722103 /nfs/dbraw/zinc/72/21/03/791722103.db2.gz HUPIXDSTDQWVRE-VXGBXAGGSA-N 1 2 325.376 0.726 20 30 ECEDLO CO[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCN(c3ncccc3C#N)CC2)C1 ZINC001066697729 792013635 /nfs/dbraw/zinc/01/36/35/792013635.db2.gz BNUMNDOYWKHAIF-GDBMZVCRSA-N 1 2 343.431 0.711 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(c3cc(F)ncn3)CC2)C1 ZINC001066698294 792018522 /nfs/dbraw/zinc/01/85/22/792018522.db2.gz JRFYOCPFUVTKPO-STQMWFEESA-N 1 2 332.383 0.498 20 30 ECEDLO CO[C@H](C)C(=O)N1CC[C@H]([NH+]2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001066699445 792023991 /nfs/dbraw/zinc/02/39/91/792023991.db2.gz XVYTWKFUQPVDSL-KGLIPLIRSA-N 1 2 344.419 0.106 20 30 ECEDLO CO[C@@H](C)C(=O)N1CC[C@H]([NH+]2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001066699503 792024626 /nfs/dbraw/zinc/02/46/26/792024626.db2.gz ZOEHMYIPFZRZAE-ZFWWWQNUSA-N 1 2 344.419 0.106 20 30 ECEDLO Cc1nccc(N2CC[NH+]([C@@H]3CCN(C(=O)C#CC4CC4)C3)CC2)n1 ZINC001066701265 792028861 /nfs/dbraw/zinc/02/88/61/792028861.db2.gz RWSBWGOJAATFQF-QGZVFWFLSA-N 1 2 339.443 0.921 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)CC1 ZINC001066755199 792107881 /nfs/dbraw/zinc/10/78/81/792107881.db2.gz HYTYZEFYYTZAMZ-ZDUSSCGKSA-N 1 2 339.403 0.800 20 30 ECEDLO C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001067704928 792159506 /nfs/dbraw/zinc/15/95/06/792159506.db2.gz RGYNBRRRXLFUJY-ZIAGYGMSSA-N 1 2 331.420 0.912 20 30 ECEDLO C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001067705331 792160581 /nfs/dbraw/zinc/16/05/81/792160581.db2.gz VZKPFKPPQRARRS-UONOGXRCSA-N 1 2 331.420 0.912 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1)c1ccc(C#N)nc1 ZINC001067748530 792219720 /nfs/dbraw/zinc/21/97/20/792219720.db2.gz ADHSJECOQHPALS-IRXDYDNUSA-N 1 2 343.431 0.711 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccc(C#N)nc1 ZINC001067748530 792219725 /nfs/dbraw/zinc/21/97/25/792219725.db2.gz ADHSJECOQHPALS-IRXDYDNUSA-N 1 2 343.431 0.711 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NC1CC(CNc2ccnc(C#N)n2)C1 ZINC001067856875 792381231 /nfs/dbraw/zinc/38/12/31/792381231.db2.gz PWKJEYIIKGSZSC-UHFFFAOYSA-N 1 2 325.376 0.053 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NC1CC(CNc2cncc(C#N)n2)C1 ZINC001067856910 792381904 /nfs/dbraw/zinc/38/19/04/792381904.db2.gz RZCCNHHTRVSHKZ-UHFFFAOYSA-N 1 2 325.376 0.631 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[C@H](C)[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001067994341 792553893 /nfs/dbraw/zinc/55/38/93/792553893.db2.gz UIACBAFPKDSQLK-NHYWBVRUSA-N 1 2 339.403 0.954 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[C@H](C)[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001067994342 792554645 /nfs/dbraw/zinc/55/46/45/792554645.db2.gz UIACBAFPKDSQLK-XHDPSFHLSA-N 1 2 339.403 0.954 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1Nc1ccnc(C#N)n1 ZINC001067083895 792681933 /nfs/dbraw/zinc/68/19/33/792681933.db2.gz HZTKBIRKBXIUHU-RYUDHWBXSA-N 1 2 325.376 0.385 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@@H](Nc2cnc(C#N)cn2)C1 ZINC001067127602 792728505 /nfs/dbraw/zinc/72/85/05/792728505.db2.gz RJKHHYKEDXNJPA-YGRLFVJLSA-N 1 2 325.376 0.881 20 30 ECEDLO C[C@@H](Nc1ccc(C#N)cn1)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001068234508 792884727 /nfs/dbraw/zinc/88/47/27/792884727.db2.gz HUNQFSGFHQUGOO-UKRRQHHQSA-N 1 2 340.387 0.878 20 30 ECEDLO C[C@@H]1C[C@@H](CNc2nccnc2C#N)CN1C(=O)Cc1c[nH+]cn1C ZINC001068336594 793070538 /nfs/dbraw/zinc/07/05/38/793070538.db2.gz BOQWSARJDUOHOY-OLZOCXBDSA-N 1 2 339.403 0.973 20 30 ECEDLO C[C@H]1C[C@@H](CNc2cnc(C#N)cn2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001068346024 793093667 /nfs/dbraw/zinc/09/36/67/793093667.db2.gz DBEHHBLOKKDLNQ-RYUDHWBXSA-N 1 2 325.376 0.963 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cccn2C)C1 ZINC001267451365 837431044 /nfs/dbraw/zinc/43/10/44/837431044.db2.gz YYAMJOSSHBTZKI-OAHLLOKOSA-N 1 2 330.432 0.701 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cccn2C)C1 ZINC001267451365 837431049 /nfs/dbraw/zinc/43/10/49/837431049.db2.gz YYAMJOSSHBTZKI-OAHLLOKOSA-N 1 2 330.432 0.701 20 30 ECEDLO C#CCNC(=O)C[N@@H+](CCCNC(=O)c1[nH]nc2c1CCC2)C(C)C ZINC001267504355 837585801 /nfs/dbraw/zinc/58/58/01/837585801.db2.gz PQVJVANNUOTHMT-UHFFFAOYSA-N 1 2 345.447 0.478 20 30 ECEDLO C#CCNC(=O)C[N@H+](CCCNC(=O)c1[nH]nc2c1CCC2)C(C)C ZINC001267504355 837585806 /nfs/dbraw/zinc/58/58/06/837585806.db2.gz PQVJVANNUOTHMT-UHFFFAOYSA-N 1 2 345.447 0.478 20 30 ECEDLO CCCN(C(=O)Cc1ccon1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267538407 837718983 /nfs/dbraw/zinc/71/89/83/837718983.db2.gz NPOFQYVSWXRDQF-CQSZACIVSA-N 1 2 333.392 0.170 20 30 ECEDLO CCCN(C(=O)Cc1ccon1)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267538407 837718986 /nfs/dbraw/zinc/71/89/86/837718986.db2.gz NPOFQYVSWXRDQF-CQSZACIVSA-N 1 2 333.392 0.170 20 30 ECEDLO C#CCNC(=O)[C@@H](C)N1CC[NH+](CCN(C)C(=O)/C=C(/C)CC)CC1 ZINC001267572179 837807844 /nfs/dbraw/zinc/80/78/44/837807844.db2.gz GNQOAZMKTFODGA-FUYCXPICSA-N 1 2 348.491 0.557 20 30 ECEDLO CC#CCCCC(=O)N(C)CC[NH+]1CCN(Cc2cnnn2C)CC1 ZINC001267574681 837822837 /nfs/dbraw/zinc/82/28/37/837822837.db2.gz POJPERIBTOQWAB-UHFFFAOYSA-N 1 2 346.479 0.585 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N(C)CCN1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001267574744 837823071 /nfs/dbraw/zinc/82/30/71/837823071.db2.gz RQAMKJGDFPUUOT-HNNXBMFYSA-N 1 2 336.480 0.553 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N(C)CC[NH+]1CCN([C@H]2CCNC2=O)CC1 ZINC001267574744 837823083 /nfs/dbraw/zinc/82/30/83/837823083.db2.gz RQAMKJGDFPUUOT-HNNXBMFYSA-N 1 2 336.480 0.553 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)c1cnn(C)c1C(F)F ZINC001267576311 837829397 /nfs/dbraw/zinc/82/93/97/837829397.db2.gz VHMRIIFLHJASAI-UHFFFAOYSA-N 1 2 340.378 0.571 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CNC(=O)C(C)(C)C)C1 ZINC001266248633 835554822 /nfs/dbraw/zinc/55/48/22/835554822.db2.gz PVPKBWURQLIBDX-ZDUSSCGKSA-N 1 2 338.452 0.032 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CNC(=O)C(C)(C)C)C1 ZINC001266248633 835554828 /nfs/dbraw/zinc/55/48/28/835554828.db2.gz PVPKBWURQLIBDX-ZDUSSCGKSA-N 1 2 338.452 0.032 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[NH+]1CCN(Cc2nc(C)oc2C)CC1 ZINC001266283291 835614180 /nfs/dbraw/zinc/61/41/80/835614180.db2.gz LHFKYNYTCBRXMA-HNNXBMFYSA-N 1 2 348.447 0.564 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[NH+]1CCN(Cc2nccnc2C)CC1 ZINC001266283548 835614649 /nfs/dbraw/zinc/61/46/49/835614649.db2.gz QWJTYACMCLRSEI-GOSISDBHSA-N 1 2 347.463 0.346 20 30 ECEDLO Cc1cn2cc(CC(=O)NCC[NH+]3CCN(CC#N)CC3)nc2s1 ZINC001266288544 835632079 /nfs/dbraw/zinc/63/20/79/835632079.db2.gz ZPYQGVXAGWABAA-UHFFFAOYSA-N 1 2 346.460 0.504 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(CCNC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001266290379 835634528 /nfs/dbraw/zinc/63/45/28/835634528.db2.gz XQJIEEXGFLERFU-GPMSIDNRSA-N 1 2 348.491 0.601 20 30 ECEDLO C=CCC1(C(=O)NCC[NH+]2CCN(Cc3cnnn3C)CC2)CCC1 ZINC001266292392 835636865 /nfs/dbraw/zinc/63/68/65/835636865.db2.gz GYODMVXXGGWASU-UHFFFAOYSA-N 1 2 346.479 0.795 20 30 ECEDLO CO[C@@H](C(=O)NCC[NH+]1CCN(CC#N)CC1)c1ccc(F)cc1 ZINC001266298263 835652844 /nfs/dbraw/zinc/65/28/44/835652844.db2.gz ASPUYMLEFKTKKR-MRXNPFEDSA-N 1 2 334.395 0.771 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001266319242 835689114 /nfs/dbraw/zinc/68/91/14/835689114.db2.gz JIUXEFVIVQIDJZ-CYBMUJFWSA-N 1 2 334.420 0.238 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001266319242 835689115 /nfs/dbraw/zinc/68/91/15/835689115.db2.gz JIUXEFVIVQIDJZ-CYBMUJFWSA-N 1 2 334.420 0.238 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001266320448 835691593 /nfs/dbraw/zinc/69/15/93/835691593.db2.gz ACGZIWJDHSGNDN-INIZCTEOSA-N 1 2 343.427 0.866 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001266320448 835691596 /nfs/dbraw/zinc/69/15/96/835691596.db2.gz ACGZIWJDHSGNDN-INIZCTEOSA-N 1 2 343.427 0.866 20 30 ECEDLO CC(C)(C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1)[C@H]1CCCCO1 ZINC001266321253 835693565 /nfs/dbraw/zinc/69/35/65/835693565.db2.gz NAYJMKVAQVBZMW-ZIAGYGMSSA-N 1 2 336.436 0.412 20 30 ECEDLO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1)[C@H]1CCCCO1 ZINC001266321253 835693571 /nfs/dbraw/zinc/69/35/71/835693571.db2.gz NAYJMKVAQVBZMW-ZIAGYGMSSA-N 1 2 336.436 0.412 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cc(C)nnc2C)C1 ZINC001266321267 835694187 /nfs/dbraw/zinc/69/41/87/835694187.db2.gz NKGRSCDCEFVGOV-ZIAGYGMSSA-N 1 2 331.420 0.588 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cc(C)nnc2C)C1 ZINC001266321267 835694191 /nfs/dbraw/zinc/69/41/91/835694191.db2.gz NKGRSCDCEFVGOV-ZIAGYGMSSA-N 1 2 331.420 0.588 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cn(C(C)(C)C)nn2)C1 ZINC001266322105 835695820 /nfs/dbraw/zinc/69/58/20/835695820.db2.gz AWYKGCKXFCLEEA-LBPRGKRZSA-N 1 2 334.424 0.139 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cn(C(C)(C)C)nn2)C1 ZINC001266322105 835695824 /nfs/dbraw/zinc/69/58/24/835695824.db2.gz AWYKGCKXFCLEEA-LBPRGKRZSA-N 1 2 334.424 0.139 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(COC)o2)C1 ZINC001266327620 835707531 /nfs/dbraw/zinc/70/75/31/835707531.db2.gz IIFMLHSJXOWGBP-QWHCGFSZSA-N 1 2 335.404 0.921 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc(COC)o2)C1 ZINC001266327620 835707533 /nfs/dbraw/zinc/70/75/33/835707533.db2.gz IIFMLHSJXOWGBP-QWHCGFSZSA-N 1 2 335.404 0.921 20 30 ECEDLO C=CCC1(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCOCC3)C2)CCC1 ZINC001266339623 835724465 /nfs/dbraw/zinc/72/44/65/835724465.db2.gz UJRIJZQCTXTPTI-OAHLLOKOSA-N 1 2 335.448 0.782 20 30 ECEDLO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCOCC3)C2)CCC1 ZINC001266339623 835724470 /nfs/dbraw/zinc/72/44/70/835724470.db2.gz UJRIJZQCTXTPTI-OAHLLOKOSA-N 1 2 335.448 0.782 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(OC)cc2Cl)C1 ZINC001266346554 835736525 /nfs/dbraw/zinc/73/65/25/835736525.db2.gz CWHHAVDSSMOQCK-LBPRGKRZSA-N 1 2 349.818 0.902 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(OC)cc2Cl)C1 ZINC001266346554 835736532 /nfs/dbraw/zinc/73/65/32/835736532.db2.gz CWHHAVDSSMOQCK-LBPRGKRZSA-N 1 2 349.818 0.902 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cncc3ccccc32)C1 ZINC001266360656 835769198 /nfs/dbraw/zinc/76/91/98/835769198.db2.gz AOKBTSCIKNGOQP-OAHLLOKOSA-N 1 2 336.395 0.788 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cncc3ccccc32)C1 ZINC001266360656 835769207 /nfs/dbraw/zinc/76/92/07/835769207.db2.gz AOKBTSCIKNGOQP-OAHLLOKOSA-N 1 2 336.395 0.788 20 30 ECEDLO CC[N@H+](CCNC(=O)C#CC(C)C)CC(=O)Nc1cc(C)nn1C ZINC001266387944 835796233 /nfs/dbraw/zinc/79/62/33/835796233.db2.gz MFJVGSLZTAKXQN-UHFFFAOYSA-N 1 2 333.436 0.765 20 30 ECEDLO CC[N@@H+](CCNC(=O)C#CC(C)C)CC(=O)Nc1cc(C)nn1C ZINC001266387944 835796236 /nfs/dbraw/zinc/79/62/36/835796236.db2.gz MFJVGSLZTAKXQN-UHFFFAOYSA-N 1 2 333.436 0.765 20 30 ECEDLO CCCN(C(=O)C#CC1CC1)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC001266386850 835797429 /nfs/dbraw/zinc/79/74/29/835797429.db2.gz UKWXBDLGNINPCM-UHFFFAOYSA-N 1 2 330.432 0.743 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(CF)cc1 ZINC001266495102 835894270 /nfs/dbraw/zinc/89/42/70/835894270.db2.gz HDVSGKBPIXOUAP-HNNXBMFYSA-N 1 2 332.379 0.990 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(CF)cc1 ZINC001266495102 835894277 /nfs/dbraw/zinc/89/42/77/835894277.db2.gz HDVSGKBPIXOUAP-HNNXBMFYSA-N 1 2 332.379 0.990 20 30 ECEDLO C=CCNC(=O)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]cn1C ZINC001266499371 835899381 /nfs/dbraw/zinc/89/93/81/835899381.db2.gz ZBPZYCGQOIFXEB-IYBDPMFKSA-N 1 2 345.447 0.330 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CCCC(N)=O)C1=O ZINC001266501869 835902868 /nfs/dbraw/zinc/90/28/68/835902868.db2.gz NAPVEKBPTHVMKR-QLFBSQMISA-N 1 2 348.447 0.104 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CCCC(N)=O)C1=O ZINC001266501869 835902878 /nfs/dbraw/zinc/90/28/78/835902878.db2.gz NAPVEKBPTHVMKR-QLFBSQMISA-N 1 2 348.447 0.104 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2nnnn2CCC)C1 ZINC001266513858 835924813 /nfs/dbraw/zinc/92/48/13/835924813.db2.gz IAOXCACGYWAUNY-ZIAGYGMSSA-N 1 2 334.424 0.060 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2nnnn2CCC)C1 ZINC001266513858 835924820 /nfs/dbraw/zinc/92/48/20/835924820.db2.gz IAOXCACGYWAUNY-ZIAGYGMSSA-N 1 2 334.424 0.060 20 30 ECEDLO C#CCOCCC(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2ccon2)C1 ZINC001266748974 836237939 /nfs/dbraw/zinc/23/79/39/836237939.db2.gz BMSJUYWZOQEWPQ-CQSZACIVSA-N 1 2 348.403 0.481 20 30 ECEDLO C#CCOCCC(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC001266748974 836237948 /nfs/dbraw/zinc/23/79/48/836237948.db2.gz BMSJUYWZOQEWPQ-CQSZACIVSA-N 1 2 348.403 0.481 20 30 ECEDLO CN(C)c1noc(C[N@@H+]2CCC[C@@H](CNC(=O)C#CC3CC3)C2)n1 ZINC001266750355 836240413 /nfs/dbraw/zinc/24/04/13/836240413.db2.gz VISSVMLOMBHHHS-AWEZNQCLSA-N 1 2 331.420 0.877 20 30 ECEDLO CN(C)c1noc(C[N@H+]2CCC[C@@H](CNC(=O)C#CC3CC3)C2)n1 ZINC001266750355 836240424 /nfs/dbraw/zinc/24/04/24/836240424.db2.gz VISSVMLOMBHHHS-AWEZNQCLSA-N 1 2 331.420 0.877 20 30 ECEDLO Cn1[nH]c(C[N@@H+]2CCC[C@@H](CNC(=O)C#CC(C)(C)C)C2)nc1=O ZINC001266750007 836241299 /nfs/dbraw/zinc/24/12/99/836241299.db2.gz OYAMIJGOJPDVLF-ZDUSSCGKSA-N 1 2 333.436 0.486 20 30 ECEDLO Cn1[nH]c(C[N@H+]2CCC[C@@H](CNC(=O)C#CC(C)(C)C)C2)nc1=O ZINC001266750007 836241313 /nfs/dbraw/zinc/24/13/13/836241313.db2.gz OYAMIJGOJPDVLF-ZDUSSCGKSA-N 1 2 333.436 0.486 20 30 ECEDLO C[C@H](CC(=O)N1CCC[C@H](C(=O)NCCNCC#N)C1)n1cc[nH+]c1 ZINC001267002358 836597104 /nfs/dbraw/zinc/59/71/04/836597104.db2.gz JWXZJCZMXADIDN-CABCVRRESA-N 1 2 346.435 0.302 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)Cc1[nH]nc2c1CCCC2 ZINC001267195565 836961589 /nfs/dbraw/zinc/96/15/89/836961589.db2.gz FRQJGNRAFMQBMG-UHFFFAOYSA-N 1 2 333.436 0.181 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)Cc1[nH]nc2c1CCCC2 ZINC001267195565 836961593 /nfs/dbraw/zinc/96/15/93/836961593.db2.gz FRQJGNRAFMQBMG-UHFFFAOYSA-N 1 2 333.436 0.181 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)Cc1n[nH]c2c1CCCC2 ZINC001267195565 836961601 /nfs/dbraw/zinc/96/16/01/836961601.db2.gz FRQJGNRAFMQBMG-UHFFFAOYSA-N 1 2 333.436 0.181 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)Cc1n[nH]c2c1CCCC2 ZINC001267195565 836961608 /nfs/dbraw/zinc/96/16/08/836961608.db2.gz FRQJGNRAFMQBMG-UHFFFAOYSA-N 1 2 333.436 0.181 20 30 ECEDLO C[N@H+](CCNC(=O)c1cccc2ncccc21)CC(=O)NCC#N ZINC001267208951 836994809 /nfs/dbraw/zinc/99/48/09/836994809.db2.gz CHLPSTYXWHVWHH-UHFFFAOYSA-N 1 2 325.372 0.536 20 30 ECEDLO C[N@@H+](CCNC(=O)c1cccc2ncccc21)CC(=O)NCC#N ZINC001267208951 836994814 /nfs/dbraw/zinc/99/48/14/836994814.db2.gz CHLPSTYXWHVWHH-UHFFFAOYSA-N 1 2 325.372 0.536 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCCc2cccnc21 ZINC001267210255 836998093 /nfs/dbraw/zinc/99/80/93/836998093.db2.gz BUHFXJZQLAOLFB-HNNXBMFYSA-N 1 2 330.432 0.852 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCCc2cccnc21 ZINC001267210255 836998098 /nfs/dbraw/zinc/99/80/98/836998098.db2.gz BUHFXJZQLAOLFB-HNNXBMFYSA-N 1 2 330.432 0.852 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccccc1OC(C)C ZINC001267226835 837026671 /nfs/dbraw/zinc/02/66/71/837026671.db2.gz RLPSGXFGJSGIGT-UHFFFAOYSA-N 1 2 331.416 0.885 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1ccccc1OC(C)C ZINC001267226835 837026676 /nfs/dbraw/zinc/02/66/76/837026676.db2.gz RLPSGXFGJSGIGT-UHFFFAOYSA-N 1 2 331.416 0.885 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1ccncc1Cl ZINC001267276298 837120840 /nfs/dbraw/zinc/12/08/40/837120840.db2.gz PDCYMZPBNAUNON-LBPRGKRZSA-N 1 2 334.807 0.679 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccncc1Cl ZINC001267276298 837120842 /nfs/dbraw/zinc/12/08/42/837120842.db2.gz PDCYMZPBNAUNON-LBPRGKRZSA-N 1 2 334.807 0.679 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cnoc1C(C)C ZINC001267279566 837124587 /nfs/dbraw/zinc/12/45/87/837124587.db2.gz HKNWUNLNMJYUFK-ZDUSSCGKSA-N 1 2 332.404 0.742 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnoc1C(C)C ZINC001267279566 837124594 /nfs/dbraw/zinc/12/45/94/837124594.db2.gz HKNWUNLNMJYUFK-ZDUSSCGKSA-N 1 2 332.404 0.742 20 30 ECEDLO CCOc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NCC#N)cc1 ZINC001267281476 837130677 /nfs/dbraw/zinc/13/06/77/837130677.db2.gz LLJWJJXUZHOKAR-OAHLLOKOSA-N 1 2 344.415 0.919 20 30 ECEDLO CCOc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NCC#N)cc1 ZINC001267281476 837130680 /nfs/dbraw/zinc/13/06/80/837130680.db2.gz LLJWJJXUZHOKAR-OAHLLOKOSA-N 1 2 344.415 0.919 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)CC[NH2+]Cc1nc(CC(F)(F)F)no1 ZINC001267372002 837270535 /nfs/dbraw/zinc/27/05/35/837270535.db2.gz CAYTWVSKKOWNEA-JTQLQIEISA-N 1 2 348.325 0.761 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001267614722 837990734 /nfs/dbraw/zinc/99/07/34/837990734.db2.gz PWKYASRCJXUQNW-MRXNPFEDSA-N 1 2 330.432 0.743 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001267614722 837990740 /nfs/dbraw/zinc/99/07/40/837990740.db2.gz PWKYASRCJXUQNW-MRXNPFEDSA-N 1 2 330.432 0.743 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2ccnn2C(C)C)C1 ZINC001267628046 838081994 /nfs/dbraw/zinc/08/19/94/838081994.db2.gz MNBJYHPMOLQRAZ-AWEZNQCLSA-N 1 2 333.436 0.960 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2ccnn2C(C)C)C1 ZINC001267628046 838082010 /nfs/dbraw/zinc/08/20/10/838082010.db2.gz MNBJYHPMOLQRAZ-AWEZNQCLSA-N 1 2 333.436 0.960 20 30 ECEDLO COCC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccoc2CC(N)=O)C1 ZINC001267629639 838088107 /nfs/dbraw/zinc/08/81/07/838088107.db2.gz CRLXZKMZQWVNST-ZDUSSCGKSA-N 1 2 333.388 0.151 20 30 ECEDLO COCC#CC[N@H+]1CCC[C@H](NC(=O)c2ccoc2CC(N)=O)C1 ZINC001267629639 838088118 /nfs/dbraw/zinc/08/81/18/838088118.db2.gz CRLXZKMZQWVNST-ZDUSSCGKSA-N 1 2 333.388 0.151 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)c2cnon2)C1 ZINC001267632011 838093253 /nfs/dbraw/zinc/09/32/53/838093253.db2.gz IDUBVUYQZQKBMA-ZDUSSCGKSA-N 1 2 333.392 0.464 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](NC(=O)c2cnon2)C1 ZINC001267632011 838093269 /nfs/dbraw/zinc/09/32/69/838093269.db2.gz IDUBVUYQZQKBMA-ZDUSSCGKSA-N 1 2 333.392 0.464 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2nn(C)cc21 ZINC001267712923 838334037 /nfs/dbraw/zinc/33/40/37/838334037.db2.gz YLGSMSIXVRAGKM-HRCADAONSA-N 1 2 342.443 0.775 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2nn(C)cc21 ZINC001267712923 838334047 /nfs/dbraw/zinc/33/40/47/838334047.db2.gz YLGSMSIXVRAGKM-HRCADAONSA-N 1 2 342.443 0.775 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COCc1cccnc1 ZINC001267717180 838361816 /nfs/dbraw/zinc/36/18/16/838361816.db2.gz VQDUVPAMGDEKQC-IRXDYDNUSA-N 1 2 329.400 0.533 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COCc1cccnc1 ZINC001267717180 838361824 /nfs/dbraw/zinc/36/18/24/838361824.db2.gz VQDUVPAMGDEKQC-IRXDYDNUSA-N 1 2 329.400 0.533 20 30 ECEDLO Cc1cc(CC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C2)ncc1Cl ZINC001267725481 838393384 /nfs/dbraw/zinc/39/33/84/838393384.db2.gz PKSGDNWMVXVNAI-LBPRGKRZSA-N 1 2 349.822 0.416 20 30 ECEDLO Cc1cc(CC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)ncc1Cl ZINC001267725481 838393391 /nfs/dbraw/zinc/39/33/91/838393391.db2.gz PKSGDNWMVXVNAI-LBPRGKRZSA-N 1 2 349.822 0.416 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc3oc(C)nc3c2)C1 ZINC001267725693 838396048 /nfs/dbraw/zinc/39/60/48/838396048.db2.gz XZMUZGNEUNSZHE-AWEZNQCLSA-N 1 2 340.383 0.690 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc3oc(C)nc3c2)C1 ZINC001267725693 838396057 /nfs/dbraw/zinc/39/60/57/838396057.db2.gz XZMUZGNEUNSZHE-AWEZNQCLSA-N 1 2 340.383 0.690 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C(F)(F)F)n[nH]2)C1 ZINC001267731926 838422481 /nfs/dbraw/zinc/42/24/81/838422481.db2.gz ZLIWNQOLBCLKEY-VIFPVBQESA-N 1 2 345.325 0.535 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C(F)(F)F)n[nH]2)C1 ZINC001267731926 838422483 /nfs/dbraw/zinc/42/24/83/838422483.db2.gz ZLIWNQOLBCLKEY-VIFPVBQESA-N 1 2 345.325 0.535 20 30 ECEDLO CC1(C)CC[C@@H](CC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)OC1 ZINC001267744823 838448004 /nfs/dbraw/zinc/44/80/04/838448004.db2.gz LXFFVCWPDYCMKL-KGLIPLIRSA-N 1 2 336.436 0.412 20 30 ECEDLO CC1(C)CC[C@@H](CC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)OC1 ZINC001267744823 838448008 /nfs/dbraw/zinc/44/80/08/838448008.db2.gz LXFFVCWPDYCMKL-KGLIPLIRSA-N 1 2 336.436 0.412 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@](C)(C=C)CC)C1 ZINC001267749195 838465625 /nfs/dbraw/zinc/46/56/25/838465625.db2.gz OVGGOKJQALCNFB-DYVFJYSZSA-N 1 2 336.436 0.791 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@](C)(C=C)CC)C1 ZINC001267749195 838465630 /nfs/dbraw/zinc/46/56/30/838465630.db2.gz OVGGOKJQALCNFB-DYVFJYSZSA-N 1 2 336.436 0.791 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC001267749370 838466385 /nfs/dbraw/zinc/46/63/85/838466385.db2.gz HWXDTXGQFVNTFG-CQSZACIVSA-N 1 2 339.399 0.425 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC001267749370 838466391 /nfs/dbraw/zinc/46/63/91/838466391.db2.gz HWXDTXGQFVNTFG-CQSZACIVSA-N 1 2 339.399 0.425 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC[C@H]3CCOC3)C2)C1 ZINC001267750059 838468172 /nfs/dbraw/zinc/46/81/72/838468172.db2.gz WQIZNAZWGIQHNZ-HUUCEWRRSA-N 1 2 335.448 0.686 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC[C@H]3CCOC3)C2)C1 ZINC001267750059 838468175 /nfs/dbraw/zinc/46/81/75/838468175.db2.gz WQIZNAZWGIQHNZ-HUUCEWRRSA-N 1 2 335.448 0.686 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2cnn(C)c2)C1 ZINC001267751065 838471070 /nfs/dbraw/zinc/47/10/70/838471070.db2.gz NQFZFABQUBPXGH-DZGCQCFKSA-N 1 2 333.436 0.091 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2cnn(C)c2)C1 ZINC001267751065 838471073 /nfs/dbraw/zinc/47/10/73/838471073.db2.gz NQFZFABQUBPXGH-DZGCQCFKSA-N 1 2 333.436 0.091 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2c(F)cccc2F)C1 ZINC001267751711 838473127 /nfs/dbraw/zinc/47/31/27/838473127.db2.gz JMTNYOUYICZNAS-VXGBXAGGSA-N 1 2 335.354 0.907 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2c(F)cccc2F)C1 ZINC001267751711 838473131 /nfs/dbraw/zinc/47/31/31/838473131.db2.gz JMTNYOUYICZNAS-VXGBXAGGSA-N 1 2 335.354 0.907 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NCCC)C2)nc1 ZINC001267751560 838473197 /nfs/dbraw/zinc/47/31/97/838473197.db2.gz DZSDVPMAZJJITD-DZGCQCFKSA-N 1 2 328.416 0.782 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(=O)NCCC)C2)nc1 ZINC001267751560 838473199 /nfs/dbraw/zinc/47/31/99/838473199.db2.gz DZSDVPMAZJJITD-DZGCQCFKSA-N 1 2 328.416 0.782 20 30 ECEDLO CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)cc1 ZINC001267751611 838473207 /nfs/dbraw/zinc/47/32/07/838473207.db2.gz GLBFWNLOMCEZOH-CQSZACIVSA-N 1 2 330.388 0.529 20 30 ECEDLO CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)cc1 ZINC001267751611 838473209 /nfs/dbraw/zinc/47/32/09/838473209.db2.gz GLBFWNLOMCEZOH-CQSZACIVSA-N 1 2 330.388 0.529 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(COC)cc2)C1 ZINC001267754658 838477529 /nfs/dbraw/zinc/47/75/29/838477529.db2.gz NROBKLRXMADTQD-MRXNPFEDSA-N 1 2 329.400 0.387 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(COC)cc2)C1 ZINC001267754658 838477532 /nfs/dbraw/zinc/47/75/32/838477532.db2.gz NROBKLRXMADTQD-MRXNPFEDSA-N 1 2 329.400 0.387 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)Cc2ccn[nH]2)C1 ZINC001267760616 838487949 /nfs/dbraw/zinc/48/79/49/838487949.db2.gz VWENMSHOIYJKCI-INIZCTEOSA-N 1 2 345.447 0.686 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccn[nH]2)C1 ZINC001267760616 838487952 /nfs/dbraw/zinc/48/79/52/838487952.db2.gz VWENMSHOIYJKCI-INIZCTEOSA-N 1 2 345.447 0.686 20 30 ECEDLO CN(C(=O)C#CC1CC1)[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCOC2)C1 ZINC001267761086 838488918 /nfs/dbraw/zinc/48/89/18/838488918.db2.gz ARMSZDYVQKROPR-JKSUJKDBSA-N 1 2 333.432 0.085 20 30 ECEDLO CN(C(=O)C#CC1CC1)[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCOC2)C1 ZINC001267761086 838488923 /nfs/dbraw/zinc/48/89/23/838488923.db2.gz ARMSZDYVQKROPR-JKSUJKDBSA-N 1 2 333.432 0.085 20 30 ECEDLO CN(C(=O)C(=O)NCC(F)F)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001267768220 838507045 /nfs/dbraw/zinc/50/70/45/838507045.db2.gz ODHLAXJLIAXFHW-HNNXBMFYSA-N 1 2 349.381 0.952 20 30 ECEDLO CN(C(=O)C(=O)NCC(F)F)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001267768220 838507046 /nfs/dbraw/zinc/50/70/46/838507046.db2.gz ODHLAXJLIAXFHW-HNNXBMFYSA-N 1 2 349.381 0.952 20 30 ECEDLO C#CCC[N@H+]1CC[C@H](N(C)C(=O)CS(=O)(=O)C2CCCC2)C1 ZINC001267769121 838513375 /nfs/dbraw/zinc/51/33/75/838513375.db2.gz XZYQTUYQSBDNGE-AWEZNQCLSA-N 1 2 326.462 0.900 20 30 ECEDLO C#CCC[N@@H+]1CC[C@H](N(C)C(=O)CS(=O)(=O)C2CCCC2)C1 ZINC001267769121 838513381 /nfs/dbraw/zinc/51/33/81/838513381.db2.gz XZYQTUYQSBDNGE-AWEZNQCLSA-N 1 2 326.462 0.900 20 30 ECEDLO C#CCOCCC(=O)N(CC)[C@@H]1CC[N@H+](Cc2cnnn2CC)C1 ZINC001267786577 838566190 /nfs/dbraw/zinc/56/61/90/838566190.db2.gz NWPCQWOBMFUDJC-OAHLLOKOSA-N 1 2 333.436 0.761 20 30 ECEDLO C#CCOCCC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2cnnn2CC)C1 ZINC001267786577 838566195 /nfs/dbraw/zinc/56/61/95/838566195.db2.gz NWPCQWOBMFUDJC-OAHLLOKOSA-N 1 2 333.436 0.761 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001267789718 838570753 /nfs/dbraw/zinc/57/07/53/838570753.db2.gz KIQUZUUQAYRKLE-NWDGAFQWSA-N 1 2 342.827 0.650 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001267789718 838570757 /nfs/dbraw/zinc/57/07/57/838570757.db2.gz KIQUZUUQAYRKLE-NWDGAFQWSA-N 1 2 342.827 0.650 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)CC(C)(C)C)C2)nn1 ZINC001105157483 838693627 /nfs/dbraw/zinc/69/36/27/838693627.db2.gz PRFXYVPHSAPDIU-UHFFFAOYSA-N 1 2 333.436 0.837 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)C(C)C)C1 ZINC001267971102 838892713 /nfs/dbraw/zinc/89/27/13/838892713.db2.gz ZGPIAOBCBCRVMX-ZIAGYGMSSA-N 1 2 338.452 0.871 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C(C)C)C1 ZINC001267971102 838892727 /nfs/dbraw/zinc/89/27/27/838892727.db2.gz ZGPIAOBCBCRVMX-ZIAGYGMSSA-N 1 2 338.452 0.871 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cc2nnn(C(C)(C)C)n2)C1 ZINC001268022581 839001741 /nfs/dbraw/zinc/00/17/41/839001741.db2.gz VAXLAILRBCANOC-ZDUSSCGKSA-N 1 2 336.440 0.364 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)Cc2nnn(C(C)(C)C)n2)C1 ZINC001268022581 839001754 /nfs/dbraw/zinc/00/17/54/839001754.db2.gz VAXLAILRBCANOC-ZDUSSCGKSA-N 1 2 336.440 0.364 20 30 ECEDLO C=C1CC(C)(C(=O)NC[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)CCO2)C1 ZINC001268025533 839022152 /nfs/dbraw/zinc/02/21/52/839022152.db2.gz ITFFFVUNTIJPBY-GJZGRUSLSA-N 1 2 345.447 0.939 20 30 ECEDLO C=C1CC(C)(C(=O)NC[C@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)CCO2)C1 ZINC001268025533 839022163 /nfs/dbraw/zinc/02/21/63/839022163.db2.gz ITFFFVUNTIJPBY-GJZGRUSLSA-N 1 2 345.447 0.939 20 30 ECEDLO C=CCOCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001268028515 839041513 /nfs/dbraw/zinc/04/15/13/839041513.db2.gz HVSPTNGBJDBZTE-GDBMZVCRSA-N 1 2 348.447 0.534 20 30 ECEDLO C=CCOCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001268028515 839041525 /nfs/dbraw/zinc/04/15/25/839041525.db2.gz HVSPTNGBJDBZTE-GDBMZVCRSA-N 1 2 348.447 0.534 20 30 ECEDLO C=CCOCC[N@@H+]1CCO[C@H](CNC(=O)c2ncc3n2CCCC3)C1 ZINC001268028588 839042472 /nfs/dbraw/zinc/04/24/72/839042472.db2.gz JINMNVZLNZXTJZ-MRXNPFEDSA-N 1 2 348.447 0.853 20 30 ECEDLO C=CCOCC[N@H+]1CCO[C@H](CNC(=O)c2ncc3n2CCCC3)C1 ZINC001268028588 839042486 /nfs/dbraw/zinc/04/24/86/839042486.db2.gz JINMNVZLNZXTJZ-MRXNPFEDSA-N 1 2 348.447 0.853 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000981013931 839338688 /nfs/dbraw/zinc/33/86/88/839338688.db2.gz NFSCBRJLOVLOMQ-MRXNPFEDSA-N 1 2 348.472 0.985 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000981013931 839338699 /nfs/dbraw/zinc/33/86/99/839338699.db2.gz NFSCBRJLOVLOMQ-MRXNPFEDSA-N 1 2 348.472 0.985 20 30 ECEDLO N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)c(F)c1 ZINC000427060901 210178521 /nfs/dbraw/zinc/17/85/21/210178521.db2.gz ITYSKOLUIVBEOR-NSHDSACASA-N 1 2 327.319 0.964 20 30 ECEDLO N#Cc1ncn(CC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)n1 ZINC000425951933 210126169 /nfs/dbraw/zinc/12/61/69/210126169.db2.gz NYYUVOHDSFXMCC-OAHLLOKOSA-N 1 2 340.387 0.339 20 30 ECEDLO Cn1cc[nH+]c1[C@H](NC(=O)Cn1cnc(C#N)n1)c1cccc(F)c1 ZINC000425961637 210125842 /nfs/dbraw/zinc/12/58/42/210125842.db2.gz UDXDUXDJAYQNIK-OAHLLOKOSA-N 1 2 339.334 0.928 20 30 ECEDLO COC(=O)CN(CC[NH+]1CCOCC1)c1ncc2c(c1C#N)CCC2 ZINC000425246926 210025913 /nfs/dbraw/zinc/02/59/13/210025913.db2.gz MVEGJAIMYHRFSA-UHFFFAOYSA-N 1 2 344.415 0.754 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(OC3CCC3)c2)C1 ZINC001077912772 781932816 /nfs/dbraw/zinc/93/28/16/781932816.db2.gz KYYDUOKQJULYOM-HZPDHXFCSA-N 1 2 329.400 0.811 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(OC3CCC3)c2)C1 ZINC001077912772 781932827 /nfs/dbraw/zinc/93/28/27/781932827.db2.gz KYYDUOKQJULYOM-HZPDHXFCSA-N 1 2 329.400 0.811 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)COc2ccccc2F)CC1 ZINC000264097972 246061495 /nfs/dbraw/zinc/06/14/95/246061495.db2.gz BNVQONDBXKLDRD-UHFFFAOYSA-N 1 2 347.390 0.488 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)COc2ccccc2F)CC1 ZINC000264097972 246061504 /nfs/dbraw/zinc/06/15/04/246061504.db2.gz BNVQONDBXKLDRD-UHFFFAOYSA-N 1 2 347.390 0.488 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2csc(CC)n2)CC1 ZINC000264990930 247116636 /nfs/dbraw/zinc/11/66/36/247116636.db2.gz JWFYHAJDJNHYHV-UHFFFAOYSA-N 1 2 348.472 0.532 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2csc(CC)n2)CC1 ZINC000264990930 247116638 /nfs/dbraw/zinc/11/66/38/247116638.db2.gz JWFYHAJDJNHYHV-UHFFFAOYSA-N 1 2 348.472 0.532 20 30 ECEDLO C#CCOc1cccc(NC(=O)C(=O)N2CC[NH+](CCOC)CC2)c1 ZINC000267592853 251176696 /nfs/dbraw/zinc/17/66/96/251176696.db2.gz USPXKCYBZLHNSU-UHFFFAOYSA-N 1 2 345.399 0.428 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1[nH+]ccn1C ZINC000268862761 252312421 /nfs/dbraw/zinc/31/24/21/252312421.db2.gz VZHHUCHYWIFJRM-LLVKDONJSA-N 1 2 347.400 0.275 20 30 ECEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCCC[N@@H+]2CCNC(=O)C2)c1 ZINC000412208315 208213675 /nfs/dbraw/zinc/21/36/75/208213675.db2.gz ORHKBXZGQJYHRW-JKSUJKDBSA-N 1 2 326.400 0.600 20 30 ECEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCCC[N@H+]2CCNC(=O)C2)c1 ZINC000412208315 208213683 /nfs/dbraw/zinc/21/36/83/208213683.db2.gz ORHKBXZGQJYHRW-JKSUJKDBSA-N 1 2 326.400 0.600 20 30 ECEDLO CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428801546 210284384 /nfs/dbraw/zinc/28/43/84/210284384.db2.gz IBINFRFHLAHOPP-CQSZACIVSA-N 1 2 345.403 0.888 20 30 ECEDLO CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428801546 210284389 /nfs/dbraw/zinc/28/43/89/210284389.db2.gz IBINFRFHLAHOPP-CQSZACIVSA-N 1 2 345.403 0.888 20 30 ECEDLO CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428801545 210283569 /nfs/dbraw/zinc/28/35/69/210283569.db2.gz IBINFRFHLAHOPP-AWEZNQCLSA-N 1 2 345.403 0.888 20 30 ECEDLO CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428801545 210283575 /nfs/dbraw/zinc/28/35/75/210283575.db2.gz IBINFRFHLAHOPP-AWEZNQCLSA-N 1 2 345.403 0.888 20 30 ECEDLO O=C(CNC(=O)c1cc2n(n1)CCCO2)NCC[NH+]1CCOCC1 ZINC000330346531 254634227 /nfs/dbraw/zinc/63/42/27/254634227.db2.gz GRJOEIVTKXIVDZ-UHFFFAOYSA-N 1 2 337.380 0.259 20 30 ECEDLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1 ZINC000451268898 254804999 /nfs/dbraw/zinc/80/49/99/254804999.db2.gz NJXJSWMILWDIIK-ZDUSSCGKSA-N 1 2 345.465 0.825 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc3c(c2)n(C)c(=O)n3C)CC1 ZINC000491683033 254927535 /nfs/dbraw/zinc/92/75/35/254927535.db2.gz VXGCMZKFFFRMMF-UHFFFAOYSA-N 1 2 342.399 0.033 20 30 ECEDLO CCN1CCN(C(=O)NCCCS(C)(=O)=O)C[C@H]1c1[nH]cc[nH+]1 ZINC000331022315 285289388 /nfs/dbraw/zinc/28/93/88/285289388.db2.gz LFKRHHZWHNUFSA-LBPRGKRZSA-N 1 2 343.453 0.437 20 30 ECEDLO CCS(=O)(=O)NCC[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000068819510 132200095 /nfs/dbraw/zinc/20/00/95/132200095.db2.gz CURYEWBCNQFTOR-UHFFFAOYSA-N 1 2 340.424 0.759 20 30 ECEDLO COCCN1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CC1=O ZINC000271108385 263299964 /nfs/dbraw/zinc/29/99/64/263299964.db2.gz YIUGSIOTRQCOLH-HNNXBMFYSA-N 1 2 333.388 0.089 20 30 ECEDLO COCCN1CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CC1=O ZINC000271108385 263299966 /nfs/dbraw/zinc/29/99/66/263299966.db2.gz YIUGSIOTRQCOLH-HNNXBMFYSA-N 1 2 333.388 0.089 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)[nH]1 ZINC000337458283 269958295 /nfs/dbraw/zinc/95/82/95/269958295.db2.gz OZKVEUVCLZVOLF-UHFFFAOYSA-N 1 2 337.383 0.943 20 30 ECEDLO CC(C)(C(=O)N1CCN(c2ccc(C#N)cn2)CC1)[NH+]1CCOCC1 ZINC000283380369 264111670 /nfs/dbraw/zinc/11/16/70/264111670.db2.gz ROUVGFSZEBMPND-UHFFFAOYSA-N 1 2 343.431 0.713 20 30 ECEDLO Cc1sc(NC(=O)C[NH+]2CCC(O)(C(N)=O)CC2)c(C#N)c1C ZINC000283956761 264173296 /nfs/dbraw/zinc/17/32/96/264173296.db2.gz HVXAVZCPACRRSV-UHFFFAOYSA-N 1 2 336.417 0.487 20 30 ECEDLO C[N@@H+]1CC[C@H]2OCCN(CCS(=O)(=O)c3ccc(C#N)cc3)[C@@H]2C1 ZINC000284795651 264239037 /nfs/dbraw/zinc/23/90/37/264239037.db2.gz JKDCGGRJVDPIAZ-IAGOWNOFSA-N 1 2 349.456 0.737 20 30 ECEDLO C[N@H+]1CC[C@H]2OCCN(CCS(=O)(=O)c3ccc(C#N)cc3)[C@@H]2C1 ZINC000284795651 264239039 /nfs/dbraw/zinc/23/90/39/264239039.db2.gz JKDCGGRJVDPIAZ-IAGOWNOFSA-N 1 2 349.456 0.737 20 30 ECEDLO COC(=O)C1(O)CC[NH+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000271477784 266627945 /nfs/dbraw/zinc/62/79/45/266627945.db2.gz VIXMWDOJOOZOFQ-LBPRGKRZSA-N 1 2 331.372 0.885 20 30 ECEDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)/C=C\c2ccc(C#N)cc2)CCO1 ZINC000492665697 267301063 /nfs/dbraw/zinc/30/10/63/267301063.db2.gz CZRCZMFWLCYUBZ-MWWKQMNYSA-N 1 2 342.399 0.216 20 30 ECEDLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)/C=C\c2ccc(C#N)cc2)CCO1 ZINC000492665697 267301069 /nfs/dbraw/zinc/30/10/69/267301069.db2.gz CZRCZMFWLCYUBZ-MWWKQMNYSA-N 1 2 342.399 0.216 20 30 ECEDLO Cc1onc(CC(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)c1C#N ZINC000354577380 267744473 /nfs/dbraw/zinc/74/44/73/267744473.db2.gz SEYSQZDPNGDDAP-CQSZACIVSA-N 1 2 348.403 0.347 20 30 ECEDLO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)nc1 ZINC000293796665 268131440 /nfs/dbraw/zinc/13/14/40/268131440.db2.gz QYICMJNCQBSWCA-AWEZNQCLSA-N 1 2 343.387 0.215 20 30 ECEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000528456058 268301252 /nfs/dbraw/zinc/30/12/52/268301252.db2.gz LKQWVTZVNADATG-WBVHZDCISA-N 1 2 330.384 0.978 20 30 ECEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000528456058 268301255 /nfs/dbraw/zinc/30/12/55/268301255.db2.gz LKQWVTZVNADATG-WBVHZDCISA-N 1 2 330.384 0.978 20 30 ECEDLO N#Cc1nccn1CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000376805758 268331454 /nfs/dbraw/zinc/33/14/54/268331454.db2.gz FGSMPXLDQGJWDY-MRXNPFEDSA-N 1 2 339.399 0.772 20 30 ECEDLO N#Cc1nccn1CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000376805758 268331456 /nfs/dbraw/zinc/33/14/56/268331456.db2.gz FGSMPXLDQGJWDY-MRXNPFEDSA-N 1 2 339.399 0.772 20 30 ECEDLO CN(C)C(=O)Cc1ccc(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)cc1 ZINC000330717508 437597377 /nfs/dbraw/zinc/59/73/77/437597377.db2.gz UWEZFVMCEXMAPJ-MRXNPFEDSA-N 1 2 347.463 0.889 20 30 ECEDLO CN(C)C(=O)Cc1ccc(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)cc1 ZINC000330717508 437597383 /nfs/dbraw/zinc/59/73/83/437597383.db2.gz UWEZFVMCEXMAPJ-MRXNPFEDSA-N 1 2 347.463 0.889 20 30 ECEDLO Cc1ccc2[nH+]c(CSCC(=O)NCC(=O)NCC#N)cn2c1 ZINC000343525437 437599034 /nfs/dbraw/zinc/59/90/34/437599034.db2.gz XKEMLNYXQDVATR-UHFFFAOYSA-N 1 2 331.401 0.632 20 30 ECEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000175228953 279067971 /nfs/dbraw/zinc/06/79/71/279067971.db2.gz FJBIWPIGOAVHND-UHFFFAOYSA-N 1 2 331.420 0.903 20 30 ECEDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000175228953 279067973 /nfs/dbraw/zinc/06/79/73/279067973.db2.gz FJBIWPIGOAVHND-UHFFFAOYSA-N 1 2 331.420 0.903 20 30 ECEDLO CN(C(=O)C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O)C1(C#N)CCCCC1 ZINC000330748589 437605301 /nfs/dbraw/zinc/60/53/01/437605301.db2.gz AKQAUGZGGWBRHN-CYBMUJFWSA-N 1 2 342.465 0.424 20 30 ECEDLO CN(C(=O)C[N@H+]1CCC[C@@H]1CS(N)(=O)=O)C1(C#N)CCCCC1 ZINC000330748589 437605304 /nfs/dbraw/zinc/60/53/04/437605304.db2.gz AKQAUGZGGWBRHN-CYBMUJFWSA-N 1 2 342.465 0.424 20 30 ECEDLO CCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000330746013 437605507 /nfs/dbraw/zinc/60/55/07/437605507.db2.gz FLLDQXOGOZPBBA-VIFPVBQESA-N 1 2 338.330 0.570 20 30 ECEDLO CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000330746013 437605512 /nfs/dbraw/zinc/60/55/12/437605512.db2.gz FLLDQXOGOZPBBA-VIFPVBQESA-N 1 2 338.330 0.570 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000330223637 289729104 /nfs/dbraw/zinc/72/91/04/289729104.db2.gz NEOAKMSKTMTLGI-GJZGRUSLSA-N 1 2 341.452 0.627 20 30 ECEDLO CN1CCN(C(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C[C@@H]1C#N ZINC000298790587 290007116 /nfs/dbraw/zinc/00/71/16/290007116.db2.gz RWRWWJVFBYTOTQ-QWHCGFSZSA-N 1 2 330.392 0.129 20 30 ECEDLO C[C@H](CNC(=O)C(C)(C)S(=O)(=O)C1CC1)N1CC[NH+](C)CC1 ZINC000328832253 298244103 /nfs/dbraw/zinc/24/41/03/298244103.db2.gz VKOJFYONKKSCQJ-GFCCVEGCSA-N 1 2 331.482 0.935 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000023264900 436125377 /nfs/dbraw/zinc/12/53/77/436125377.db2.gz WLIJLPNGPMBNBU-UHFFFAOYSA-N 1 2 328.416 0.857 20 30 ECEDLO CS(=O)(=O)N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000028891762 436194020 /nfs/dbraw/zinc/19/40/20/436194020.db2.gz SRDBPHOIQHAFNV-UHFFFAOYSA-N 1 2 336.417 0.464 20 30 ECEDLO C=CCCC[N@@H+](C)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000076735570 436215297 /nfs/dbraw/zinc/21/52/97/436215297.db2.gz ZRPUFXAPMZRBBR-OAHLLOKOSA-N 1 2 343.493 0.216 20 30 ECEDLO C=CCCC[N@H+](C)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000076735570 436215299 /nfs/dbraw/zinc/21/52/99/436215299.db2.gz ZRPUFXAPMZRBBR-OAHLLOKOSA-N 1 2 343.493 0.216 20 30 ECEDLO N#Cc1c(F)cccc1N1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000030968028 436223245 /nfs/dbraw/zinc/22/32/45/436223245.db2.gz JZXQMGGWBJCSQK-HNNXBMFYSA-N 1 2 348.422 0.512 20 30 ECEDLO Cn1nc2c(cc1=O)C[N@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000078622775 436273127 /nfs/dbraw/zinc/27/31/27/436273127.db2.gz NPOPZMKGBLIZOS-KRWDZBQOSA-N 1 2 349.394 0.816 20 30 ECEDLO Cn1nc2c(cc1=O)C[N@@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000078622775 436273128 /nfs/dbraw/zinc/27/31/28/436273128.db2.gz NPOPZMKGBLIZOS-KRWDZBQOSA-N 1 2 349.394 0.816 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078619472 436273407 /nfs/dbraw/zinc/27/34/07/436273407.db2.gz DXIKMXXPPMJOAT-ZDUSSCGKSA-N 1 2 343.431 0.870 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078619472 436273409 /nfs/dbraw/zinc/27/34/09/436273409.db2.gz DXIKMXXPPMJOAT-ZDUSSCGKSA-N 1 2 343.431 0.870 20 30 ECEDLO CN(C(=O)C[N@@H+]1CCc2nn(C)c(=O)cc2C1)C1(C#N)CCCCC1 ZINC000078621510 436273666 /nfs/dbraw/zinc/27/36/66/436273666.db2.gz HWTWFFFFRFHKHT-UHFFFAOYSA-N 1 2 343.431 0.823 20 30 ECEDLO CN(C(=O)C[N@H+]1CCc2nn(C)c(=O)cc2C1)C1(C#N)CCCCC1 ZINC000078621510 436273671 /nfs/dbraw/zinc/27/36/71/436273671.db2.gz HWTWFFFFRFHKHT-UHFFFAOYSA-N 1 2 343.431 0.823 20 30 ECEDLO C=CCNC(=O)c1ccc(N(C)C[C@H](O)C[NH+]2CCOCC2)nc1 ZINC000081015338 436334053 /nfs/dbraw/zinc/33/40/53/436334053.db2.gz JFSLTKJVAPPWTB-HNNXBMFYSA-N 1 2 334.420 0.127 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CNc1ccc(C#N)cc1 ZINC000082983733 436365123 /nfs/dbraw/zinc/36/51/23/436365123.db2.gz GZAZPPNZGOYINT-MRXNPFEDSA-N 1 2 332.404 0.122 20 30 ECEDLO Cn1cc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nn1 ZINC000092082729 436466042 /nfs/dbraw/zinc/46/60/42/436466042.db2.gz GUPREYAIIRVWLO-UHFFFAOYSA-N 1 2 339.403 0.714 20 30 ECEDLO CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000092619169 436472981 /nfs/dbraw/zinc/47/29/81/436472981.db2.gz DRWJYSJVDLSZKT-HZPDHXFCSA-N 1 2 349.479 0.279 20 30 ECEDLO CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000092619169 436472985 /nfs/dbraw/zinc/47/29/85/436472985.db2.gz DRWJYSJVDLSZKT-HZPDHXFCSA-N 1 2 349.479 0.279 20 30 ECEDLO N#Cc1ccsc1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000052035880 436501310 /nfs/dbraw/zinc/50/13/10/436501310.db2.gz KYYXBIVCMDUNKP-UHFFFAOYSA-N 1 2 342.428 0.962 20 30 ECEDLO C#CC[N@H+]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000052115489 436502699 /nfs/dbraw/zinc/50/26/99/436502699.db2.gz ZYGPHXGSWPTAAM-UHFFFAOYSA-N 1 2 336.413 0.787 20 30 ECEDLO C#CC[N@@H+]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000052115489 436502703 /nfs/dbraw/zinc/50/27/03/436502703.db2.gz ZYGPHXGSWPTAAM-UHFFFAOYSA-N 1 2 336.413 0.787 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnnn2-c2ccc(C)cc2)CC1 ZINC000054045003 436544643 /nfs/dbraw/zinc/54/46/43/436544643.db2.gz OCHDMBQNJCYCOJ-UHFFFAOYSA-N 1 2 341.419 0.395 20 30 ECEDLO N#C[C@H]1CN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CCO1 ZINC000106308915 436591386 /nfs/dbraw/zinc/59/13/86/436591386.db2.gz VUCWZPKJCNKHPS-AWEZNQCLSA-N 1 2 334.445 0.617 20 30 ECEDLO Cc1ccccc1CCNC(=O)CO[NH+]=C(N)CN1CCOCC1 ZINC000111182096 436630708 /nfs/dbraw/zinc/63/07/08/436630708.db2.gz OQDQLGVEWVGROS-UHFFFAOYSA-N 1 2 334.420 0.275 20 30 ECEDLO COC(=O)c1cccc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)c1C#N ZINC000535548642 302121315 /nfs/dbraw/zinc/12/13/15/302121315.db2.gz QQOGPEXEHXKTKV-UHFFFAOYSA-N 1 2 342.355 0.519 20 30 ECEDLO C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)CC(=O)NCC#N ZINC000066496737 436687439 /nfs/dbraw/zinc/68/74/39/436687439.db2.gz CUTBRPQSRCBMNF-UHFFFAOYSA-N 1 2 339.417 0.431 20 30 ECEDLO C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)CC(=O)NCC#N ZINC000066496737 436687443 /nfs/dbraw/zinc/68/74/43/436687443.db2.gz CUTBRPQSRCBMNF-UHFFFAOYSA-N 1 2 339.417 0.431 20 30 ECEDLO C[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1F)C[NH+]1CCOCC1 ZINC000151218072 436698785 /nfs/dbraw/zinc/69/87/85/436698785.db2.gz MYQXMTUDFKYQAQ-LBPRGKRZSA-N 1 2 341.408 0.944 20 30 ECEDLO C=CCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000121381801 436713132 /nfs/dbraw/zinc/71/31/32/436713132.db2.gz BFMNRSDEUFLTHB-CQSZACIVSA-N 1 2 343.449 0.925 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000065971582 436675560 /nfs/dbraw/zinc/67/55/60/436675560.db2.gz UNQJRSRWSZWRDS-UHFFFAOYSA-N 1 2 349.412 0.347 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCCC[C@H]2C(=O)OC(C)(C)C)CC1 ZINC000121594827 436719076 /nfs/dbraw/zinc/71/90/76/436719076.db2.gz UAANFFGPOZPAQQ-INIZCTEOSA-N 1 2 349.475 0.960 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(c2ccnc(Cc3ccccc3)n2)CC1 ZINC000274212810 436808016 /nfs/dbraw/zinc/80/80/16/436808016.db2.gz LNCMYCJQKVYDQE-UHFFFAOYSA-N 1 2 349.438 0.939 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+](CCC(=O)OC)CC(OC)OC ZINC000274302443 436814263 /nfs/dbraw/zinc/81/42/63/436814263.db2.gz KAGAAFIXRCJPEL-UHFFFAOYSA-N 1 2 328.409 0.671 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+](CCC(=O)OC)CC(OC)OC ZINC000274302443 436814265 /nfs/dbraw/zinc/81/42/65/436814265.db2.gz KAGAAFIXRCJPEL-UHFFFAOYSA-N 1 2 328.409 0.671 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](CC(N)=O)C2)c1 ZINC000156815949 436820520 /nfs/dbraw/zinc/82/05/20/436820520.db2.gz QJJHAEKIOPNGAI-AWEZNQCLSA-N 1 2 335.429 0.919 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](CC(N)=O)C2)c1 ZINC000156815949 436820523 /nfs/dbraw/zinc/82/05/23/436820523.db2.gz QJJHAEKIOPNGAI-AWEZNQCLSA-N 1 2 335.429 0.919 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(C(=O)N(C)C)cc2)CC1 ZINC000154718626 436783636 /nfs/dbraw/zinc/78/36/36/436783636.db2.gz IJWJOGNKLSJFNV-UHFFFAOYSA-N 1 2 328.416 0.578 20 30 ECEDLO NS(=O)(=O)CC[NH+]1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000126633699 436789595 /nfs/dbraw/zinc/78/95/95/436789595.db2.gz RAAXNVCJDAUAFS-UHFFFAOYSA-N 1 2 325.409 0.083 20 30 ECEDLO C=C[C@H](CC(=O)NCC(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000134265165 436893384 /nfs/dbraw/zinc/89/33/84/436893384.db2.gz BZGKTWPDIGWOQJ-MRXNPFEDSA-N 1 2 345.443 0.911 20 30 ECEDLO CC1(C)C[N@H+](CCNC(=O)CNC(=O)c2ccc(C#N)cc2)CCO1 ZINC000171119425 436968367 /nfs/dbraw/zinc/96/83/67/436968367.db2.gz FHYXHXSARORZFN-UHFFFAOYSA-N 1 2 344.415 0.515 20 30 ECEDLO CC1(C)C[N@@H+](CCNC(=O)CNC(=O)c2ccc(C#N)cc2)CCO1 ZINC000171119425 436968370 /nfs/dbraw/zinc/96/83/70/436968370.db2.gz FHYXHXSARORZFN-UHFFFAOYSA-N 1 2 344.415 0.515 20 30 ECEDLO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2ccc(C#N)nc2)C[C@H](C)O1 ZINC000170658069 436950272 /nfs/dbraw/zinc/95/02/72/436950272.db2.gz AJMNLKVEFRIRRX-BETUJISGSA-N 1 2 338.433 0.731 20 30 ECEDLO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(C#N)nc2)C[C@H](C)O1 ZINC000170658069 436950274 /nfs/dbraw/zinc/95/02/74/436950274.db2.gz AJMNLKVEFRIRRX-BETUJISGSA-N 1 2 338.433 0.731 20 30 ECEDLO C=CCn1c(C2CC2)nnc1N1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000282729676 437020573 /nfs/dbraw/zinc/02/05/73/437020573.db2.gz WZRAQFOHIAVHSU-UHFFFAOYSA-N 1 2 332.452 0.988 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000282910781 437021248 /nfs/dbraw/zinc/02/12/48/437021248.db2.gz RZTFHDYQIUBNKB-CQSZACIVSA-N 1 2 337.449 0.535 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298049679 437022973 /nfs/dbraw/zinc/02/29/73/437022973.db2.gz INFJBKNAFHADQS-ZDUSSCGKSA-N 1 2 346.391 0.872 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(NC=O)cc1 ZINC000172726795 437027566 /nfs/dbraw/zinc/02/75/66/437027566.db2.gz KKSVYXZJUAHIAA-UHFFFAOYSA-N 1 2 330.388 0.943 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)C1=O ZINC000281893445 437004648 /nfs/dbraw/zinc/00/46/48/437004648.db2.gz DXUKWKWXTWXXIV-INIZCTEOSA-N 1 2 329.400 0.937 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)C1=O ZINC000282018093 437010375 /nfs/dbraw/zinc/01/03/75/437010375.db2.gz PAKUNIPSGOITNE-UKRRQHHQSA-N 1 2 326.404 0.646 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)C1=O ZINC000282018093 437010378 /nfs/dbraw/zinc/01/03/78/437010378.db2.gz PAKUNIPSGOITNE-UKRRQHHQSA-N 1 2 326.404 0.646 20 30 ECEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000298769615 437052031 /nfs/dbraw/zinc/05/20/31/437052031.db2.gz SLJYCFVJLSMNKK-UHFFFAOYSA-N 1 2 344.419 0.065 20 30 ECEDLO C[C@@H](NC(=O)c1ccoc1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000299493982 437083486 /nfs/dbraw/zinc/08/34/86/437083486.db2.gz DKZQRFMSOAOHCL-CQSZACIVSA-N 1 2 348.403 0.472 20 30 ECEDLO COC(=O)c1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cn1 ZINC000299515229 437085914 /nfs/dbraw/zinc/08/59/14/437085914.db2.gz JTPOHPFRYGXIPP-UHFFFAOYSA-N 1 2 346.387 0.556 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000331550322 437117083 /nfs/dbraw/zinc/11/70/83/437117083.db2.gz OCRGPRJIONTBCT-MRXNPFEDSA-N 1 2 330.392 0.339 20 30 ECEDLO C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000175979697 437124360 /nfs/dbraw/zinc/12/43/60/437124360.db2.gz AUMOVGCYMYOIIA-NEPJUHHUSA-N 1 2 348.378 0.861 20 30 ECEDLO CC(C)(CNC(=O)C(=O)Nc1ccc(F)cc1C#N)[NH+]1CCOCC1 ZINC000175939299 437125127 /nfs/dbraw/zinc/12/51/27/437125127.db2.gz IDLJXKFIBYXFQN-UHFFFAOYSA-N 1 2 348.378 0.863 20 30 ECEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccc(C#N)nn2)CC1 ZINC000302005875 437137556 /nfs/dbraw/zinc/13/75/56/437137556.db2.gz SZTWUSILFJOTJP-ZDUSSCGKSA-N 1 2 328.420 0.918 20 30 ECEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@@H]1CCO[C@H]1C1CC1 ZINC000328823493 437268558 /nfs/dbraw/zinc/26/85/58/437268558.db2.gz GTBXOUIVRKBPNM-CVEARBPZSA-N 1 2 349.435 0.918 20 30 ECEDLO C=CCCO[C@H](C)c1nc(CC(=O)NCC[NH+]2CCOCC2)no1 ZINC000277705837 437245507 /nfs/dbraw/zinc/24/55/07/437245507.db2.gz AZXHFLZPOGNIHN-CYBMUJFWSA-N 1 2 338.408 0.714 20 30 ECEDLO C[C@H](Sc1nnnn1C1CC1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000328691554 437252529 /nfs/dbraw/zinc/25/25/29/437252529.db2.gz IVSDUHYZWCZDCT-ONGXEEELSA-N 1 2 326.426 0.776 20 30 ECEDLO C[C@H](Sc1nnnn1C1CC1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000328691554 437252532 /nfs/dbraw/zinc/25/25/32/437252532.db2.gz IVSDUHYZWCZDCT-ONGXEEELSA-N 1 2 326.426 0.776 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000277813480 437255566 /nfs/dbraw/zinc/25/55/66/437255566.db2.gz HEWVWCQMYHPFBV-UHFFFAOYSA-N 1 2 345.399 0.927 20 30 ECEDLO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000329136220 437321715 /nfs/dbraw/zinc/32/17/15/437321715.db2.gz QXICLQKZXZSUQY-DYVFJYSZSA-N 1 2 347.419 0.902 20 30 ECEDLO C[C@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000329136220 437321718 /nfs/dbraw/zinc/32/17/18/437321718.db2.gz QXICLQKZXZSUQY-DYVFJYSZSA-N 1 2 347.419 0.902 20 30 ECEDLO 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437291406 /nfs/dbraw/zinc/29/14/06/437291406.db2.gz IONSIQYCDNUVSJ-UHFFFAOYSA-N 1 2 344.415 0.540 20 30 ECEDLO C[N@@H+](CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@@H]1CCCCO1 ZINC000328963682 437294717 /nfs/dbraw/zinc/29/47/17/437294717.db2.gz LNOIGLYFUZLZKV-NEPJUHHUSA-N 1 2 347.437 0.545 20 30 ECEDLO C[N@H+](CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@@H]1CCCCO1 ZINC000328963682 437294718 /nfs/dbraw/zinc/29/47/18/437294718.db2.gz LNOIGLYFUZLZKV-NEPJUHHUSA-N 1 2 347.437 0.545 20 30 ECEDLO O=C(NCC[NH+]1CCOCC1)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000329000480 437299992 /nfs/dbraw/zinc/29/99/92/437299992.db2.gz VRKDUPSRBOPXNC-RRFJBIMHSA-N 1 2 327.425 0.094 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NC[C@H]2Cc3ccccc3O2)C1=O ZINC000337221263 437341385 /nfs/dbraw/zinc/34/13/85/437341385.db2.gz LAYYLPFQUSGRND-CVEARBPZSA-N 1 2 343.427 0.825 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NC[C@H]2Cc3ccccc3O2)C1=O ZINC000337221263 437341390 /nfs/dbraw/zinc/34/13/90/437341390.db2.gz LAYYLPFQUSGRND-CVEARBPZSA-N 1 2 343.427 0.825 20 30 ECEDLO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2C)CC1 ZINC000182405488 437347962 /nfs/dbraw/zinc/34/79/62/437347962.db2.gz KIEONJDEWDWUDK-HNNXBMFYSA-N 1 2 337.445 0.944 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCO[C@H]3CCC[C@H]32)CC1 ZINC000329341144 437355466 /nfs/dbraw/zinc/35/54/66/437355466.db2.gz ZQCYEPLHRXWJRY-IKGGRYGDSA-N 1 2 334.464 0.932 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCO[C@H]3CCC[C@H]32)CC1 ZINC000329341144 437355469 /nfs/dbraw/zinc/35/54/69/437355469.db2.gz ZQCYEPLHRXWJRY-IKGGRYGDSA-N 1 2 334.464 0.932 20 30 ECEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@]3(CNC(=O)C3)C2)C1=O ZINC000278916593 437357035 /nfs/dbraw/zinc/35/70/35/437357035.db2.gz RBRXHWAWZMDJCK-LRDDRELGSA-N 1 2 330.413 0.937 20 30 ECEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@]3(CNC(=O)C3)C2)C1=O ZINC000278916593 437357036 /nfs/dbraw/zinc/35/70/36/437357036.db2.gz RBRXHWAWZMDJCK-LRDDRELGSA-N 1 2 330.413 0.937 20 30 ECEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NCCC(=O)N2CCCCCC2)C1 ZINC000329450166 437370946 /nfs/dbraw/zinc/37/09/46/437370946.db2.gz LJWFOKXZGDQZAU-OAHLLOKOSA-N 1 2 339.484 0.529 20 30 ECEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCCC(=O)N2CCCCCC2)C1 ZINC000329450166 437370948 /nfs/dbraw/zinc/37/09/48/437370948.db2.gz LJWFOKXZGDQZAU-OAHLLOKOSA-N 1 2 339.484 0.529 20 30 ECEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1cnn(C)c1 ZINC000181694245 437328403 /nfs/dbraw/zinc/32/84/03/437328403.db2.gz FJXZUJQBTLYTLU-HNNXBMFYSA-N 1 2 345.428 0.935 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NC3CCN(C(=O)C4CC4)CC3)C[C@@H]21 ZINC000329710509 437404486 /nfs/dbraw/zinc/40/44/86/437404486.db2.gz MGKHDGQFCCANPH-LSDHHAIUSA-N 1 2 336.436 0.316 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NC3CCN(C(=O)C4CC4)CC3)C[C@@H]21 ZINC000329710509 437404490 /nfs/dbraw/zinc/40/44/90/437404490.db2.gz MGKHDGQFCCANPH-LSDHHAIUSA-N 1 2 336.436 0.316 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCC[C@H]1CNS(C)(=O)=O)C1CC1 ZINC000338387448 437407082 /nfs/dbraw/zinc/40/70/82/437407082.db2.gz 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ZINC000414154829 438699414 /nfs/dbraw/zinc/69/94/14/438699414.db2.gz UKZACYHAUHQCDV-BEFAXECRSA-N 1 2 341.411 0.836 20 30 ECEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)C[C@]2(CCc3ccccc32)C1=O ZINC000414154829 438699417 /nfs/dbraw/zinc/69/94/17/438699417.db2.gz UKZACYHAUHQCDV-BEFAXECRSA-N 1 2 341.411 0.836 20 30 ECEDLO Cc1cc(C#N)cc(NC(=O)C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000453977274 438704838 /nfs/dbraw/zinc/70/48/38/438704838.db2.gz YRSHNIUJZAVSGL-IYBDPMFKSA-N 1 2 342.399 0.785 20 30 ECEDLO Cc1cc(C#N)cc(NC(=O)C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000453977274 438704841 /nfs/dbraw/zinc/70/48/41/438704841.db2.gz YRSHNIUJZAVSGL-IYBDPMFKSA-N 1 2 342.399 0.785 20 30 ECEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000494747441 438707812 /nfs/dbraw/zinc/70/78/12/438707812.db2.gz TVMJJUIRAFBPNM-CQSZACIVSA-N 1 2 336.417 0.510 20 30 ECEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000494747441 438707815 /nfs/dbraw/zinc/70/78/15/438707815.db2.gz TVMJJUIRAFBPNM-CQSZACIVSA-N 1 2 336.417 0.510 20 30 ECEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000557472605 438799796 /nfs/dbraw/zinc/79/97/96/438799796.db2.gz OYMSKBZVSYLVGQ-GJZGRUSLSA-N 1 2 330.388 0.654 20 30 ECEDLO CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000557472605 438799800 /nfs/dbraw/zinc/79/98/00/438799800.db2.gz OYMSKBZVSYLVGQ-GJZGRUSLSA-N 1 2 330.388 0.654 20 30 ECEDLO N#CC1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000558231543 438805157 /nfs/dbraw/zinc/80/51/57/438805157.db2.gz KZLUUJWDOYLQFT-CVEARBPZSA-N 1 2 348.447 0.508 20 30 ECEDLO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ncns3)CC2)cc1 ZINC000595513229 438813027 /nfs/dbraw/zinc/81/30/27/438813027.db2.gz SPOXDUXRCRRJEN-AWEZNQCLSA-N 1 2 345.428 0.972 20 30 ECEDLO CC(C)NC(=O)C[NH+]1CCN(c2cc(C#N)nc(C3CC3)n2)CC1 ZINC000601100202 438817377 /nfs/dbraw/zinc/81/73/77/438817377.db2.gz HXZINZSDBFFYNK-UHFFFAOYSA-N 1 2 328.420 0.872 20 30 ECEDLO N#Cc1cncnc1Nc1ccc(N2CCN(C(=O)C3CC3)CC2)[nH+]c1 ZINC000577174092 438819019 /nfs/dbraw/zinc/81/90/19/438819019.db2.gz IYKGEPVBEUBTTE-UHFFFAOYSA-N 1 2 349.398 0.967 20 30 ECEDLO Cc1nc2ccccn2c(=O)c1CC[NH+]1CCN(C(=O)CC#N)CC1 ZINC000514870411 438837651 /nfs/dbraw/zinc/83/76/51/438837651.db2.gz JOCCSSVPRWNYQC-UHFFFAOYSA-N 1 2 339.399 0.603 20 30 ECEDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000514940574 438842122 /nfs/dbraw/zinc/84/21/22/438842122.db2.gz WVNJVQZLDOADAL-CQSZACIVSA-N 1 2 327.392 0.837 20 30 ECEDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000514940574 438842127 /nfs/dbraw/zinc/84/21/27/438842127.db2.gz WVNJVQZLDOADAL-CQSZACIVSA-N 1 2 327.392 0.837 20 30 ECEDLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CCOc3ccccc3C#N)C[C@H]21 ZINC000595788948 438861646 /nfs/dbraw/zinc/86/16/46/438861646.db2.gz LQIDUYIIOIYTAE-IMJJTQAJSA-N 1 2 336.413 0.681 20 30 ECEDLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](CCOc3ccccc3C#N)C[C@H]21 ZINC000595788948 438861648 /nfs/dbraw/zinc/86/16/48/438861648.db2.gz LQIDUYIIOIYTAE-IMJJTQAJSA-N 1 2 336.413 0.681 20 30 ECEDLO CC[C@H](CC#N)[NH2+]CC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000563363725 438862850 /nfs/dbraw/zinc/86/28/50/438862850.db2.gz ADFWRUGZGVGXFP-ZIAGYGMSSA-N 1 2 329.466 0.940 20 30 ECEDLO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595842019 438871382 /nfs/dbraw/zinc/87/13/82/438871382.db2.gz XPQSKKOJFCNUAU-WMLDXEAASA-N 1 2 328.420 0.749 20 30 ECEDLO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595842019 438871386 /nfs/dbraw/zinc/87/13/86/438871386.db2.gz XPQSKKOJFCNUAU-WMLDXEAASA-N 1 2 328.420 0.749 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](CO)c1ccc(F)cc1F ZINC000595866451 438873141 /nfs/dbraw/zinc/87/31/41/438873141.db2.gz GZWQOMMKSWIKDH-RNCFNFMXSA-N 1 2 327.331 0.988 20 30 ECEDLO N#CC1(CS(=O)(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)CCC1 ZINC000601424633 438888433 /nfs/dbraw/zinc/88/84/33/438888433.db2.gz NTAYJESGYOFMFP-CQSZACIVSA-N 1 2 327.450 0.807 20 30 ECEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000601433497 438891968 /nfs/dbraw/zinc/89/19/68/438891968.db2.gz IEHSQZNOGWFQOL-CYBMUJFWSA-N 1 2 327.381 0.447 20 30 ECEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000601433497 438891974 /nfs/dbraw/zinc/89/19/74/438891974.db2.gz IEHSQZNOGWFQOL-CYBMUJFWSA-N 1 2 327.381 0.447 20 30 ECEDLO N#Cc1cccc(CS(=O)(=O)N2CC(C[NH+]3CCOCC3)C2)c1 ZINC000590588419 438936647 /nfs/dbraw/zinc/93/66/47/438936647.db2.gz OQCMSZVRBMXHFE-UHFFFAOYSA-N 1 2 335.429 0.652 20 30 ECEDLO N#C[C@H](CO)NC(=O)c1ccc(NCC[NH+]2CCOCC2)c(F)c1 ZINC000601622470 438942456 /nfs/dbraw/zinc/94/24/56/438942456.db2.gz HQKCFFYOVFVKQP-CYBMUJFWSA-N 1 2 336.367 0.184 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2cccc(CC#N)c2)C[C@H](C)[N@H+]1CCO ZINC000590762823 438958166 /nfs/dbraw/zinc/95/81/66/438958166.db2.gz UPKSEUHPAYIZAW-OKILXGFUSA-N 1 2 337.445 0.828 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2cccc(CC#N)c2)C[C@H](C)[N@@H+]1CCO ZINC000590762823 438958170 /nfs/dbraw/zinc/95/81/70/438958170.db2.gz UPKSEUHPAYIZAW-OKILXGFUSA-N 1 2 337.445 0.828 20 30 ECEDLO N#Cc1c(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)[nH]nc1N1CCOCC1 ZINC000601729706 438960885 /nfs/dbraw/zinc/96/08/85/438960885.db2.gz LOAYJZWEMUUXSC-ZDUSSCGKSA-N 1 2 330.392 0.683 20 30 ECEDLO N#Cc1c(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)[nH]nc1N1CCOCC1 ZINC000601729706 438960890 /nfs/dbraw/zinc/96/08/90/438960890.db2.gz LOAYJZWEMUUXSC-ZDUSSCGKSA-N 1 2 330.392 0.683 20 30 ECEDLO C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000517476668 438965004 /nfs/dbraw/zinc/96/50/04/438965004.db2.gz NETXUCDEXGYGPM-LBPRGKRZSA-N 1 2 342.403 0.452 20 30 ECEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N3CC[C@](C)(C#N)C3)nc2)CC1 ZINC000596529837 438972183 /nfs/dbraw/zinc/97/21/83/438972183.db2.gz IFMZWBIZMLAGAS-MRXNPFEDSA-N 1 2 349.460 0.758 20 30 ECEDLO N#Cc1cc(F)cc(NC(=O)C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000602056331 439005440 /nfs/dbraw/zinc/00/54/40/439005440.db2.gz GGSYXSJZCNOGNF-GASCZTMLSA-N 1 2 346.362 0.615 20 30 ECEDLO N#Cc1cc(F)cc(NC(=O)C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000602056331 439005446 /nfs/dbraw/zinc/00/54/46/439005446.db2.gz GGSYXSJZCNOGNF-GASCZTMLSA-N 1 2 346.362 0.615 20 30 ECEDLO Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000579424299 439006880 /nfs/dbraw/zinc/00/68/80/439006880.db2.gz GAFYWYDUKALDNF-INIZCTEOSA-N 1 2 329.408 0.634 20 30 ECEDLO C[NH+]1CCC(C#N)(NC(=O)[C@@H](CS(C)(=O)=O)c2ccccc2)CC1 ZINC000597168383 439052853 /nfs/dbraw/zinc/05/28/53/439052853.db2.gz YQJHBPXHJGDDJY-HNNXBMFYSA-N 1 2 349.456 0.919 20 30 ECEDLO N#CCC(=O)N1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000566422652 439053387 /nfs/dbraw/zinc/05/33/87/439053387.db2.gz CFGRWVFUJCXIAN-HNNXBMFYSA-N 1 2 328.372 0.356 20 30 ECEDLO C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1[nH+]ccn1C ZINC000596938711 439017634 /nfs/dbraw/zinc/01/76/34/439017634.db2.gz TVUFDFQGDNLFJI-SNVBAGLBSA-N 1 2 330.396 0.932 20 30 ECEDLO C[C@H](C(=O)N1CC[NH+](CCc2ccncc2)CC1)n1cnc(C#N)n1 ZINC000602201625 439039657 /nfs/dbraw/zinc/03/96/57/439039657.db2.gz ZKUPKYYUFOWOAW-CQSZACIVSA-N 1 2 339.403 0.493 20 30 ECEDLO C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)[NH+]1CCC(CCC#N)CC1 ZINC000521431369 439118252 /nfs/dbraw/zinc/11/82/52/439118252.db2.gz RTORTWYESTXBJH-JSGCOSHPSA-N 1 2 327.450 0.694 20 30 ECEDLO N#Cc1ccc(C2(NC(=O)CN3CC[NH2+]CC3=O)CCOCC2)cc1 ZINC000602553347 439111272 /nfs/dbraw/zinc/11/12/72/439111272.db2.gz BULJKTSLXOTRAV-UHFFFAOYSA-N 1 2 342.399 0.112 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCC(C)(C)CC#N ZINC000602330710 439066714 /nfs/dbraw/zinc/06/67/14/439066714.db2.gz XRIWBQRAVLQQBJ-KRWDZBQOSA-N 1 2 338.452 0.841 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCC(C)(C)CC#N ZINC000602330710 439066717 /nfs/dbraw/zinc/06/67/17/439066717.db2.gz XRIWBQRAVLQQBJ-KRWDZBQOSA-N 1 2 338.452 0.841 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2nnnn2C2CC2)cc1 ZINC000591746776 439080485 /nfs/dbraw/zinc/08/04/85/439080485.db2.gz ZNMJLHUWVSOMNL-UHFFFAOYSA-N 1 2 332.389 0.443 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2cc(C(=O)OC)cs2)CC1 ZINC000602432119 439083481 /nfs/dbraw/zinc/08/34/81/439083481.db2.gz VPJVYJCSWHBBCP-UHFFFAOYSA-N 1 2 337.445 0.955 20 30 ECEDLO C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149232 439168076 /nfs/dbraw/zinc/16/80/76/439168076.db2.gz LFMYQWZGRPEVPV-SJKOYZFVSA-N 1 2 328.372 0.711 20 30 ECEDLO C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149232 439168080 /nfs/dbraw/zinc/16/80/80/439168080.db2.gz LFMYQWZGRPEVPV-SJKOYZFVSA-N 1 2 328.372 0.711 20 30 ECEDLO COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148177 439168133 /nfs/dbraw/zinc/16/81/33/439168133.db2.gz WJKJGHWFKJKRSF-KRWDZBQOSA-N 1 2 331.372 0.786 20 30 ECEDLO COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148177 439168136 /nfs/dbraw/zinc/16/81/36/439168136.db2.gz WJKJGHWFKJKRSF-KRWDZBQOSA-N 1 2 331.372 0.786 20 30 ECEDLO C[C@@H]1C[NH+](CC(=O)NC(=O)NCc2ccccc2)C[C@@H](C)N1CC#N ZINC000602858454 439144126 /nfs/dbraw/zinc/14/41/26/439144126.db2.gz AZXJNNHVSPPXQM-HUUCEWRRSA-N 1 2 343.431 0.931 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000602881249 439150073 /nfs/dbraw/zinc/15/00/73/439150073.db2.gz KRJMTDGZGFMSOT-LLVKDONJSA-N 1 2 339.193 0.937 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000602881249 439150078 /nfs/dbraw/zinc/15/00/78/439150078.db2.gz KRJMTDGZGFMSOT-LLVKDONJSA-N 1 2 339.193 0.937 20 30 ECEDLO C[C@](C#N)(NC(=O)C[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1)C1CC1 ZINC000602924309 439162678 /nfs/dbraw/zinc/16/26/78/439162678.db2.gz NWEITYJEHCIUHD-JFIYKMOQSA-N 1 2 329.400 0.919 20 30 ECEDLO C[C@](C#N)(NC(=O)C[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1)C1CC1 ZINC000602924309 439162683 /nfs/dbraw/zinc/16/26/83/439162683.db2.gz NWEITYJEHCIUHD-JFIYKMOQSA-N 1 2 329.400 0.919 20 30 ECEDLO CCN(CCOC)c1cccc(Cn2cc(CNCC#N)nn2)[nH+]1 ZINC000603253082 439219386 /nfs/dbraw/zinc/21/93/86/439219386.db2.gz UYIQMYDUUIBVOX-UHFFFAOYSA-N 1 2 329.408 0.807 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nccn3c2nnc3C(C)C)CC1 ZINC000489345884 439223143 /nfs/dbraw/zinc/22/31/43/439223143.db2.gz GLCNUGZQHGYFCT-UHFFFAOYSA-N 1 2 343.435 0.672 20 30 ECEDLO N#Cc1cnn(-c2ccccc2)c1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000603269602 439225082 /nfs/dbraw/zinc/22/50/82/439225082.db2.gz WEUBUPFAISXYNK-MRXNPFEDSA-N 1 2 327.388 0.849 20 30 ECEDLO CCOC(=O)[C@@]1(C)C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000603001846 439179933 /nfs/dbraw/zinc/17/99/33/439179933.db2.gz UPBWMXLWLIDJQU-MAUKXSAKSA-N 1 2 348.399 0.952 20 30 ECEDLO CCOC(=O)[C@@]1(C)C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000603001846 439179939 /nfs/dbraw/zinc/17/99/39/439179939.db2.gz UPBWMXLWLIDJQU-MAUKXSAKSA-N 1 2 348.399 0.952 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000592201611 439180015 /nfs/dbraw/zinc/18/00/15/439180015.db2.gz XXQNJXDUYFXWDC-FVQBIDKESA-N 1 2 343.383 0.519 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000592201611 439180017 /nfs/dbraw/zinc/18/00/17/439180017.db2.gz XXQNJXDUYFXWDC-FVQBIDKESA-N 1 2 343.383 0.519 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000603072812 439189175 /nfs/dbraw/zinc/18/91/75/439189175.db2.gz MCKAPWSFKGRIEH-HNNXBMFYSA-N 1 2 336.367 0.854 20 30 ECEDLO N#Cc1cc(F)cc(NC(=O)N(CCO)CC[NH+]2CCOCC2)c1 ZINC000603073152 439189537 /nfs/dbraw/zinc/18/95/37/439189537.db2.gz NDOBKQTYVGBIAS-UHFFFAOYSA-N 1 2 336.367 0.856 20 30 ECEDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)Nc2ccnc(C#N)c2)CC1 ZINC000603131330 439194934 /nfs/dbraw/zinc/19/49/34/439194934.db2.gz NYWIQLKBCSVWET-UHFFFAOYSA-N 1 2 344.419 0.971 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000488804793 439201792 /nfs/dbraw/zinc/20/17/92/439201792.db2.gz WHSUXMLKEBKZKU-OAHLLOKOSA-N 1 2 335.452 0.826 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000488804793 439201794 /nfs/dbraw/zinc/20/17/94/439201794.db2.gz WHSUXMLKEBKZKU-OAHLLOKOSA-N 1 2 335.452 0.826 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)n1cc(C[NH+]2CCSCC2)nn1 ZINC000603198326 439207733 /nfs/dbraw/zinc/20/77/33/439207733.db2.gz RXANNBRINKXFCR-NSHDSACASA-N 1 2 338.437 0.400 20 30 ECEDLO C[C@@H]1CC[N@H+](CCNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC000525805432 439217498 /nfs/dbraw/zinc/21/74/98/439217498.db2.gz CIKIUJSBCVGSTH-CQSZACIVSA-N 1 2 349.456 0.931 20 30 ECEDLO C[C@@H]1CC[N@@H+](CCNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC000525805432 439217501 /nfs/dbraw/zinc/21/75/01/439217501.db2.gz CIKIUJSBCVGSTH-CQSZACIVSA-N 1 2 349.456 0.931 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)[C@H](C)C1 ZINC000527136478 439255833 /nfs/dbraw/zinc/25/58/33/439255833.db2.gz DJESZJMSBUQXDQ-NEPJUHHUSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)[C@H](C)C1 ZINC000527136478 439255834 /nfs/dbraw/zinc/25/58/34/439255834.db2.gz DJESZJMSBUQXDQ-NEPJUHHUSA-N 1 2 341.408 0.773 20 30 ECEDLO CCC(C#N)(CC)c1nc(CC(=O)NCC[NH+]2CCOCC2)no1 ZINC000528162718 439320623 /nfs/dbraw/zinc/32/06/23/439320623.db2.gz WLLSZQAZRUTKLE-UHFFFAOYSA-N 1 2 335.408 0.642 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc3c2CCN3C(C)=O)CC1 ZINC000490996881 439321113 /nfs/dbraw/zinc/32/11/13/439321113.db2.gz QAIMAMJBFZTEOM-UHFFFAOYSA-N 1 2 340.427 0.785 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2C[S@](C)=O)CC1 ZINC000491012758 439322378 /nfs/dbraw/zinc/32/23/78/439322378.db2.gz FCSLSTBTRJGAKK-QHCPKHFHSA-N 1 2 333.457 0.754 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc3c(c2)NC(=O)CC3)CC1 ZINC000491071069 439328261 /nfs/dbraw/zinc/32/82/61/439328261.db2.gz HSCFXSPBPSTIRF-UHFFFAOYSA-N 1 2 327.384 0.728 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000491126107 439335153 /nfs/dbraw/zinc/33/51/53/439335153.db2.gz KUFNNWQXDMPNIT-YESZJQIVSA-N 1 2 348.491 0.531 20 30 ECEDLO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1coc(S(C)(=O)=O)c1 ZINC000528425494 439335170 /nfs/dbraw/zinc/33/51/70/439335170.db2.gz OJKFBDXEQLGPHH-UHFFFAOYSA-N 1 2 337.405 0.925 20 30 ECEDLO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1coc(S(C)(=O)=O)c1 ZINC000528425494 439335176 /nfs/dbraw/zinc/33/51/76/439335176.db2.gz OJKFBDXEQLGPHH-UHFFFAOYSA-N 1 2 337.405 0.925 20 30 ECEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000528452160 439335787 /nfs/dbraw/zinc/33/57/87/439335787.db2.gz LSYDSUJWBCQZNF-LJQANCHMSA-N 1 2 340.379 0.777 20 30 ECEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000528452160 439335796 /nfs/dbraw/zinc/33/57/96/439335796.db2.gz LSYDSUJWBCQZNF-LJQANCHMSA-N 1 2 340.379 0.777 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2ccn(-c3ccccc3)n2)CC1 ZINC000491126458 439335866 /nfs/dbraw/zinc/33/58/66/439335866.db2.gz OUJNOPLEXNSWPV-UHFFFAOYSA-N 1 2 337.427 0.739 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2ccc(C(=O)OC)cc2F)CC1 ZINC000491122305 439335997 /nfs/dbraw/zinc/33/59/97/439335997.db2.gz VJLJCDIJEXUBFJ-UHFFFAOYSA-N 1 2 347.390 0.479 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2cn3c(cccc3C)n2)CC1 ZINC000491146980 439338069 /nfs/dbraw/zinc/33/80/69/439338069.db2.gz PTSBYRMXKHCPIV-UHFFFAOYSA-N 1 2 325.416 0.510 20 30 ECEDLO C#CC[N@@H+](C[C@H](O)COCc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000490867116 439304248 /nfs/dbraw/zinc/30/42/48/439304248.db2.gz ZZPQABCCZWHMHM-KBPBESRZSA-N 1 2 327.402 0.279 20 30 ECEDLO C#CC[N@H+](C[C@H](O)COCc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000490867116 439304251 /nfs/dbraw/zinc/30/42/51/439304251.db2.gz ZZPQABCCZWHMHM-KBPBESRZSA-N 1 2 327.402 0.279 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC[C@H](C)SC)CC1 ZINC000490897486 439309246 /nfs/dbraw/zinc/30/92/46/439309246.db2.gz BUSPXBHICFTXEP-AWEZNQCLSA-N 1 2 325.478 0.802 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC[C@H](C)SC)CC1 ZINC000490897486 439309251 /nfs/dbraw/zinc/30/92/51/439309251.db2.gz BUSPXBHICFTXEP-AWEZNQCLSA-N 1 2 325.478 0.802 20 30 ECEDLO C#CCN(C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000490917526 439310983 /nfs/dbraw/zinc/31/09/83/439310983.db2.gz YNGCLZWORKOIRC-GXTWGEPZSA-N 1 2 325.434 0.055 20 30 ECEDLO C#CCN(C(=O)N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000490917526 439310986 /nfs/dbraw/zinc/31/09/86/439310986.db2.gz YNGCLZWORKOIRC-GXTWGEPZSA-N 1 2 325.434 0.055 20 30 ECEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccc(C#N)o1)C(C)(C)CO ZINC000582252957 439311047 /nfs/dbraw/zinc/31/10/47/439311047.db2.gz XIDFATIQHLHWNJ-LBPRGKRZSA-N 1 2 338.389 0.923 20 30 ECEDLO C#CCn1ccc(C[N@H+](CCOC)CCn2cc([N+](=O)[O-])cn2)n1 ZINC000491325846 439366403 /nfs/dbraw/zinc/36/64/03/439366403.db2.gz HNFRZQBABYIHNV-UHFFFAOYSA-N 1 2 332.364 0.770 20 30 ECEDLO C#CCn1ccc(C[N@@H+](CCOC)CCn2cc([N+](=O)[O-])cn2)n1 ZINC000491325846 439366406 /nfs/dbraw/zinc/36/64/06/439366406.db2.gz HNFRZQBABYIHNV-UHFFFAOYSA-N 1 2 332.364 0.770 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCC[C@@H]2C(=O)OC(C)(C)C)CC1 ZINC000491304398 439364925 /nfs/dbraw/zinc/36/49/25/439364925.db2.gz FTOPULFXYJLVAX-OAHLLOKOSA-N 1 2 335.448 0.570 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000593155529 439350501 /nfs/dbraw/zinc/35/05/01/439350501.db2.gz ZDGPLAKONLJFSA-DYVFJYSZSA-N 1 2 329.404 0.390 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ncc([N+](=O)[O-])cc1C#N ZINC000599131762 439367155 /nfs/dbraw/zinc/36/71/55/439367155.db2.gz SSMICZMPFCSXGF-INIZCTEOSA-N 1 2 347.375 0.889 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ncc([N+](=O)[O-])cc1C#N ZINC000599131762 439367161 /nfs/dbraw/zinc/36/71/61/439367161.db2.gz SSMICZMPFCSXGF-INIZCTEOSA-N 1 2 347.375 0.889 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cnc3scc(C)c3c2=O)CC1 ZINC000491349806 439370357 /nfs/dbraw/zinc/37/03/57/439370357.db2.gz KIIVULGKFBSYTA-UHFFFAOYSA-N 1 2 330.413 0.544 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)Cc2ccc(CC#N)cc2)CC[N@@H+]1CCO ZINC000570039461 439385538 /nfs/dbraw/zinc/38/55/38/439385538.db2.gz WBQOUHQFMAPTEF-CQSZACIVSA-N 1 2 337.445 0.581 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)Cc2ccc(CC#N)cc2)CC[N@H+]1CCO ZINC000570039461 439385543 /nfs/dbraw/zinc/38/55/43/439385543.db2.gz WBQOUHQFMAPTEF-CQSZACIVSA-N 1 2 337.445 0.581 20 30 ECEDLO C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCn3c[nH+]cc3C2)n1 ZINC000491652974 439420312 /nfs/dbraw/zinc/42/03/12/439420312.db2.gz BHWLIXHBJUVQNM-HNNXBMFYSA-N 1 2 341.415 0.950 20 30 ECEDLO C#CCN(C(=O)NCC[N@H+]1CC=C(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491764806 439443730 /nfs/dbraw/zinc/44/37/30/439443730.db2.gz DMDGHLZJPDMDBG-OAHLLOKOSA-N 1 2 339.461 0.470 20 30 ECEDLO C#CCN(C(=O)NCC[N@@H+]1CC=C(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491764806 439443738 /nfs/dbraw/zinc/44/37/38/439443738.db2.gz DMDGHLZJPDMDBG-OAHLLOKOSA-N 1 2 339.461 0.470 20 30 ECEDLO C#CCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@@H]1CCS(=O)(=O)C1 ZINC000491807572 439454993 /nfs/dbraw/zinc/45/49/93/439454993.db2.gz SVUOWMTYLHJMHY-CQSZACIVSA-N 1 2 344.396 0.530 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCO[C@@H](CCF)C2)CC1 ZINC000599643373 439523965 /nfs/dbraw/zinc/52/39/65/439523965.db2.gz TVYWJUPUMZGTJN-JKSUJKDBSA-N 1 2 340.443 0.739 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCO[C@@H](CCF)C2)CC1 ZINC000599643373 439523969 /nfs/dbraw/zinc/52/39/69/439523969.db2.gz TVYWJUPUMZGTJN-JKSUJKDBSA-N 1 2 340.443 0.739 20 30 ECEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000594314534 439540273 /nfs/dbraw/zinc/54/02/73/439540273.db2.gz KMVIDQXPLZYDNR-QAPCUYQASA-N 1 2 345.443 0.888 20 30 ECEDLO N#CCN1CCC(CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000532301402 439516678 /nfs/dbraw/zinc/51/66/78/439516678.db2.gz DPGLXVCDEFXIMK-UHFFFAOYSA-N 1 2 325.376 0.628 20 30 ECEDLO CCOC(=O)CCCNC(=O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609539384 439576270 /nfs/dbraw/zinc/57/62/70/439576270.db2.gz YXODXZGYLXTUDR-OAHLLOKOSA-N 1 2 338.452 0.612 20 30 ECEDLO CC(C)n1cc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)nn1 ZINC000572424320 439582180 /nfs/dbraw/zinc/58/21/80/439582180.db2.gz DIRZUWZFJKQBIL-UHFFFAOYSA-N 1 2 342.403 0.773 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cccc(C(=O)OCC)n2)CC1 ZINC000600105728 439614346 /nfs/dbraw/zinc/61/43/46/439614346.db2.gz UQMICUODLKCTST-UHFFFAOYSA-N 1 2 346.431 0.678 20 30 ECEDLO N#Cc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000610462751 439618348 /nfs/dbraw/zinc/61/83/48/439618348.db2.gz WJOUYCDIUWXALR-MRXNPFEDSA-N 1 2 342.399 0.820 20 30 ECEDLO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCOC[C@H]2C)ncc1C#N ZINC000573218492 439635529 /nfs/dbraw/zinc/63/55/29/439635529.db2.gz IFMFVXSHODXZOT-GFCCVEGCSA-N 1 2 331.376 0.037 20 30 ECEDLO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCOC[C@H]2C)ncc1C#N ZINC000573218492 439635532 /nfs/dbraw/zinc/63/55/32/439635532.db2.gz IFMFVXSHODXZOT-GFCCVEGCSA-N 1 2 331.376 0.037 20 30 ECEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CCn2ccccc2=O)c1=O ZINC000594901861 439642300 /nfs/dbraw/zinc/64/23/00/439642300.db2.gz MPDDNHVKVYYCFT-UHFFFAOYSA-N 1 2 340.383 0.414 20 30 ECEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000600419260 439653648 /nfs/dbraw/zinc/65/36/48/439653648.db2.gz GGMYQNQBIYYAHQ-IAGOWNOFSA-N 1 2 328.416 0.974 20 30 ECEDLO C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000600419260 439653650 /nfs/dbraw/zinc/65/36/50/439653650.db2.gz GGMYQNQBIYYAHQ-IAGOWNOFSA-N 1 2 328.416 0.974 20 30 ECEDLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000573600867 439655365 /nfs/dbraw/zinc/65/53/65/439655365.db2.gz DNBJODRISJNTEH-MRXNPFEDSA-N 1 2 336.461 0.418 20 30 ECEDLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000573600867 439655368 /nfs/dbraw/zinc/65/53/68/439655368.db2.gz DNBJODRISJNTEH-MRXNPFEDSA-N 1 2 336.461 0.418 20 30 ECEDLO C[C@@]1(C#N)CCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000595125924 439656891 /nfs/dbraw/zinc/65/68/91/439656891.db2.gz KZQVRGDYKSYMJY-KRWDZBQOSA-N 1 2 327.388 0.492 20 30 ECEDLO C[C@]1(C#N)CCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000595125925 439657490 /nfs/dbraw/zinc/65/74/90/439657490.db2.gz KZQVRGDYKSYMJY-QGZVFWFLSA-N 1 2 327.388 0.492 20 30 ECEDLO Cc1nnc2n1C[C@@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)CC2 ZINC000611013702 439666625 /nfs/dbraw/zinc/66/66/25/439666625.db2.gz AXIGHYUQUBRELQ-HNNXBMFYSA-N 1 2 346.435 0.223 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cc1ccc(C#N)nc1 ZINC000600231801 439626350 /nfs/dbraw/zinc/62/63/50/439626350.db2.gz GLPNWBADFHBXGL-SFHVURJKSA-N 1 2 344.415 0.228 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cc1ccc(C#N)nc1 ZINC000600231801 439626351 /nfs/dbraw/zinc/62/63/51/439626351.db2.gz GLPNWBADFHBXGL-SFHVURJKSA-N 1 2 344.415 0.228 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)C1(C#N)CCOCC1 ZINC000600231138 439626773 /nfs/dbraw/zinc/62/67/73/439626773.db2.gz FURLTCPDCDEWMX-KRWDZBQOSA-N 1 2 337.420 0.039 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)C1(C#N)CCOCC1 ZINC000600231138 439626775 /nfs/dbraw/zinc/62/67/75/439626775.db2.gz FURLTCPDCDEWMX-KRWDZBQOSA-N 1 2 337.420 0.039 20 30 ECEDLO C=CCCSCCNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595203912 439673627 /nfs/dbraw/zinc/67/36/27/439673627.db2.gz GWMKEGCEZXKGDJ-CQSZACIVSA-N 1 2 341.477 0.345 20 30 ECEDLO C[C@@H](O)C(=O)N1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000611225666 439682059 /nfs/dbraw/zinc/68/20/59/439682059.db2.gz XDAXMQLFBJWOBU-GDBMZVCRSA-N 1 2 347.415 0.017 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)[nH]1 ZINC000600682018 439688334 /nfs/dbraw/zinc/68/83/34/439688334.db2.gz LJXNOYQYJBCVBD-HNNXBMFYSA-N 1 2 325.372 0.912 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)[nH]1 ZINC000600682018 439688340 /nfs/dbraw/zinc/68/83/40/439688340.db2.gz LJXNOYQYJBCVBD-HNNXBMFYSA-N 1 2 325.372 0.912 20 30 ECEDLO Cc1nnc(CN2CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)[nH]1 ZINC000611431371 439697076 /nfs/dbraw/zinc/69/70/76/439697076.db2.gz VUOOXVITBMSZIM-SUMWQHHRSA-N 1 2 347.467 0.674 20 30 ECEDLO N#C[C@@H]1CCC[C@H]1NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000613163119 439751489 /nfs/dbraw/zinc/75/14/89/439751489.db2.gz HODCNYRDQSLHJY-LSDHHAIUSA-N 1 2 333.436 0.628 20 30 ECEDLO N#Cc1cc(C[NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)ccn1 ZINC000613384144 439756141 /nfs/dbraw/zinc/75/61/41/439756141.db2.gz KJIVWNRVGSUKNP-UHFFFAOYSA-N 1 2 334.445 0.648 20 30 ECEDLO C=CCCC(C)(C)CNC(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000632375002 440196908 /nfs/dbraw/zinc/19/69/08/440196908.db2.gz LKHQSEMRPYPUAZ-UHFFFAOYSA-N 1 2 325.453 0.886 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)nn1 ZINC000648746588 440319139 /nfs/dbraw/zinc/31/91/39/440319139.db2.gz HWBZQMDKGWKIEX-OAHLLOKOSA-N 1 2 337.449 0.402 20 30 ECEDLO C=CCCn1cc(C[NH2+]CCNS(=O)(=O)Cc2ccon2)nn1 ZINC000657390061 441001331 /nfs/dbraw/zinc/00/13/31/441001331.db2.gz SHJAIKBRUHUTMM-UHFFFAOYSA-N 1 2 340.409 0.051 20 30 ECEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)NC(=O)NC3CC3)C2)nc1 ZINC000555653207 322186294 /nfs/dbraw/zinc/18/62/94/322186294.db2.gz XZUFWRKNEQGOGH-CYBMUJFWSA-N 1 2 329.360 0.395 20 30 ECEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)NC(=O)NC3CC3)C2)nc1 ZINC000555653207 322186297 /nfs/dbraw/zinc/18/62/97/322186297.db2.gz XZUFWRKNEQGOGH-CYBMUJFWSA-N 1 2 329.360 0.395 20 30 ECEDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ncc(C#N)cc2C)CC1 ZINC000556474196 322192000 /nfs/dbraw/zinc/19/20/00/322192000.db2.gz BDENFXWDBOQCLV-ZDUSSCGKSA-N 1 2 330.388 0.971 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2ccc(C#N)c(N)n2)CC1 ZINC000563548973 322327443 /nfs/dbraw/zinc/32/74/43/322327443.db2.gz MGVUYROURPVYCZ-UHFFFAOYSA-N 1 2 335.375 0.539 20 30 ECEDLO COc1ccnc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)n1 ZINC000564077670 322360038 /nfs/dbraw/zinc/36/00/38/322360038.db2.gz NCMGYNKYLXOUCP-UHFFFAOYSA-N 1 2 332.385 0.920 20 30 ECEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ncc(C#N)cn2)CC1 ZINC000568372574 322625493 /nfs/dbraw/zinc/62/54/93/322625493.db2.gz SUUTUHRAQWBRKL-OAHLLOKOSA-N 1 2 342.447 0.867 20 30 ECEDLO C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078008335 782124873 /nfs/dbraw/zinc/12/48/73/782124873.db2.gz DQJPBULCPKYLPS-VXGBXAGGSA-N 1 2 343.225 0.033 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000159449211 526522876 /nfs/dbraw/zinc/52/28/76/526522876.db2.gz RNCHHYFTZQNLIQ-UHFFFAOYSA-N 1 2 346.431 0.557 20 30 ECEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CC2(C1)CCCOC2 ZINC000329305105 546020471 /nfs/dbraw/zinc/02/04/71/546020471.db2.gz AQJCHXQYAMOHCE-UHFFFAOYSA-N 1 2 349.435 0.873 20 30 ECEDLO Cc1noc([C@H](C)N2CCN(C(=O)NCc3[nH+]ccn3C)CC2)n1 ZINC000329495822 546026296 /nfs/dbraw/zinc/02/62/96/546026296.db2.gz XCVRJJSIOWIIKQ-NSHDSACASA-N 1 2 333.396 0.904 20 30 ECEDLO C=CCCn1cc(C[N@H+]2CCCN(C(=O)CNC(C)=O)CC2)nn1 ZINC000625962226 547260041 /nfs/dbraw/zinc/26/00/41/547260041.db2.gz ORIGEDJIKANGSE-UHFFFAOYSA-N 1 2 334.424 0.025 20 30 ECEDLO C=CCCn1cc(C[N@@H+]2CCCN(C(=O)CNC(C)=O)CC2)nn1 ZINC000625962226 547260048 /nfs/dbraw/zinc/26/00/48/547260048.db2.gz ORIGEDJIKANGSE-UHFFFAOYSA-N 1 2 334.424 0.025 20 30 ECEDLO C=CCn1c([C@H]2C[N@@H+](C)C[C@@H](C)O2)nnc1N1CCn2nncc2C1 ZINC000669011057 547808152 /nfs/dbraw/zinc/80/81/52/547808152.db2.gz IOPGFVGCODHODD-TZMCWYRMSA-N 1 2 344.423 0.467 20 30 ECEDLO C=CCn1c([C@H]2C[N@H+](C)C[C@@H](C)O2)nnc1N1CCn2nncc2C1 ZINC000669011057 547808155 /nfs/dbraw/zinc/80/81/55/547808155.db2.gz IOPGFVGCODHODD-TZMCWYRMSA-N 1 2 344.423 0.467 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](C[C@H](F)CC)C[C@H]1O ZINC001078028000 782170803 /nfs/dbraw/zinc/17/08/03/782170803.db2.gz UFHBEHUVAQDJOD-BPLDGKMQSA-N 1 2 335.379 0.617 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](C[C@H](F)CC)C[C@H]1O ZINC001078028000 782170808 /nfs/dbraw/zinc/17/08/08/782170808.db2.gz UFHBEHUVAQDJOD-BPLDGKMQSA-N 1 2 335.379 0.617 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@H]2O)nc1 ZINC001078030434 782174957 /nfs/dbraw/zinc/17/49/57/782174957.db2.gz YVGZKTFPEIYNRY-CHWSQXEVSA-N 1 2 327.306 0.790 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCC(F)(F)F)C[C@H]2O)nc1 ZINC001078030434 782174959 /nfs/dbraw/zinc/17/49/59/782174959.db2.gz YVGZKTFPEIYNRY-CHWSQXEVSA-N 1 2 327.306 0.790 20 30 ECEDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Cc2cccc(C#N)c2)CC1 ZINC000749386539 579337657 /nfs/dbraw/zinc/33/76/57/579337657.db2.gz UQHYTIUIAYISPK-UHFFFAOYSA-N 1 2 349.456 0.726 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2c(C)noc2C2CC2)CC1 ZINC000752033395 579379962 /nfs/dbraw/zinc/37/99/62/579379962.db2.gz ZNBLUYYMVKMAJU-UHFFFAOYSA-N 1 2 344.415 0.758 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c(C)noc2C2CC2)CC1 ZINC000752033395 579379963 /nfs/dbraw/zinc/37/99/63/579379963.db2.gz ZNBLUYYMVKMAJU-UHFFFAOYSA-N 1 2 344.415 0.758 20 30 ECEDLO CCn1nc(C)c(C=NNC(=S)NCC[NH+]2CCOCC2)c1C ZINC000755499330 579434239 /nfs/dbraw/zinc/43/42/39/579434239.db2.gz PDBCXILINRJPJU-UHFFFAOYSA-N 1 2 338.481 0.650 20 30 ECEDLO COCCCNC(=O)C1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758196817 579468507 /nfs/dbraw/zinc/46/85/07/579468507.db2.gz FSZMDNQXLOFKCX-UHFFFAOYSA-N 1 2 332.404 0.542 20 30 ECEDLO CC1(C)C[N@H+](CCNC(=O)NCCNc2ncccc2C#N)CCO1 ZINC000726241423 578139601 /nfs/dbraw/zinc/13/96/01/578139601.db2.gz HDCFORIZUTWKFJ-UHFFFAOYSA-N 1 2 346.435 0.775 20 30 ECEDLO CC1(C)C[N@@H+](CCNC(=O)NCCNc2ncccc2C#N)CCO1 ZINC000726241423 578139602 /nfs/dbraw/zinc/13/96/02/578139602.db2.gz HDCFORIZUTWKFJ-UHFFFAOYSA-N 1 2 346.435 0.775 20 30 ECEDLO CC1(C)COCC[N@@H+]1CCNC(=O)NCCNc1ccc(C#N)cn1 ZINC000728395927 578289188 /nfs/dbraw/zinc/28/91/88/578289188.db2.gz KMABOKZYBQAKMY-UHFFFAOYSA-N 1 2 346.435 0.775 20 30 ECEDLO CC1(C)COCC[N@H+]1CCNC(=O)NCCNc1ccc(C#N)cn1 ZINC000728395927 578289189 /nfs/dbraw/zinc/28/91/89/578289189.db2.gz KMABOKZYBQAKMY-UHFFFAOYSA-N 1 2 346.435 0.775 20 30 ECEDLO C#Cc1cccc(NC(=O)CNC(=O)NCC[N@H+]2CCOC[C@@H]2C)c1 ZINC000729597249 578297291 /nfs/dbraw/zinc/29/72/91/578297291.db2.gz UCCGBHINYQKRFS-AWEZNQCLSA-N 1 2 344.415 0.626 20 30 ECEDLO C#Cc1cccc(NC(=O)CNC(=O)NCC[N@@H+]2CCOC[C@@H]2C)c1 ZINC000729597249 578297292 /nfs/dbraw/zinc/29/72/92/578297292.db2.gz UCCGBHINYQKRFS-AWEZNQCLSA-N 1 2 344.415 0.626 20 30 ECEDLO CN1CCN(S(=O)(=O)c2ccc(N=NCc3[nH]cc[nH+]3)nc2)CC1 ZINC000731151611 578310868 /nfs/dbraw/zinc/31/08/68/578310868.db2.gz QZRQITAMPJJFHD-UHFFFAOYSA-N 1 2 349.420 0.187 20 30 ECEDLO N#CCNC(=O)COC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000731249262 578311966 /nfs/dbraw/zinc/31/19/66/578311966.db2.gz KVIZTULTODNQQK-INIZCTEOSA-N 1 2 331.372 0.367 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732815009 578330051 /nfs/dbraw/zinc/33/00/51/578330051.db2.gz UUIQRDPJSCSRRA-SECBINFHSA-N 1 2 336.314 0.093 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732815009 578330052 /nfs/dbraw/zinc/33/00/52/578330052.db2.gz UUIQRDPJSCSRRA-SECBINFHSA-N 1 2 336.314 0.093 20 30 ECEDLO CC(=NNC(=S)NCC(N)=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735614541 578391253 /nfs/dbraw/zinc/39/12/53/578391253.db2.gz AFLFKBJVIUHPQJ-CQSZACIVSA-N 1 2 349.460 0.213 20 30 ECEDLO CC(=NNC(=S)NCC(N)=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735614541 578391254 /nfs/dbraw/zinc/39/12/54/578391254.db2.gz AFLFKBJVIUHPQJ-CQSZACIVSA-N 1 2 349.460 0.213 20 30 ECEDLO C[NH+]1CCN(S(=O)(=O)c2cccnc2N=NCC2(F)CC2)CC1 ZINC000794514395 578591862 /nfs/dbraw/zinc/59/18/62/578591862.db2.gz JFHPIOKRGFRBNV-UHFFFAOYSA-N 1 2 341.412 0.918 20 30 ECEDLO C=CCOC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)nc1)C(=O)OC ZINC000796455774 578625197 /nfs/dbraw/zinc/62/51/97/578625197.db2.gz NOOKMHUYLZNOOS-ZDUSSCGKSA-N 1 2 330.344 0.741 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000798326859 578643462 /nfs/dbraw/zinc/64/34/62/578643462.db2.gz UUQDFTJLWQVTMR-UHFFFAOYSA-N 1 2 341.820 0.378 20 30 ECEDLO C[S@](=O)CC[NH+]1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000780949661 578703595 /nfs/dbraw/zinc/70/35/95/578703595.db2.gz LZXXNKQGJWXIPI-WNSKOXEYSA-N 1 2 335.429 0.114 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000783012718 578737434 /nfs/dbraw/zinc/73/74/34/578737434.db2.gz XAHCCRUPVNNLOK-LBPRGKRZSA-N 1 2 326.422 0.520 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)nc1 ZINC000783072416 578738014 /nfs/dbraw/zinc/73/80/14/578738014.db2.gz BFAYTDMNUKCNAI-HNNXBMFYSA-N 1 2 337.383 0.717 20 30 ECEDLO CC(C)(C#N)CCOC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785653972 578772358 /nfs/dbraw/zinc/77/23/58/578772358.db2.gz DASRGYYAVOKGKD-CQSZACIVSA-N 1 2 337.420 0.650 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(Cl)cn2)CC1 ZINC000786104551 578780718 /nfs/dbraw/zinc/78/07/18/578780718.db2.gz JZQCWBUXBCHBQU-UHFFFAOYSA-N 1 2 348.834 0.561 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(Cl)cn2)CC1 ZINC000786104551 578780719 /nfs/dbraw/zinc/78/07/19/578780719.db2.gz JZQCWBUXBCHBQU-UHFFFAOYSA-N 1 2 348.834 0.561 20 30 ECEDLO C[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000788276473 578831953 /nfs/dbraw/zinc/83/19/53/578831953.db2.gz ZMQZWNLDXQQPTG-NTZNESFSSA-N 1 2 326.356 0.967 20 30 ECEDLO C[C@@H]1C[C@H](O)C[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000788276473 578831954 /nfs/dbraw/zinc/83/19/54/578831954.db2.gz ZMQZWNLDXQQPTG-NTZNESFSSA-N 1 2 326.356 0.967 20 30 ECEDLO N#CCn1c(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)nc2ccccc2c1=O ZINC000789355613 578852668 /nfs/dbraw/zinc/85/26/68/578852668.db2.gz UOXJRPMSOVFSMT-GOSISDBHSA-N 1 2 337.383 0.632 20 30 ECEDLO N#CCn1c(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)nc2ccccc2c1=O ZINC000789355613 578852669 /nfs/dbraw/zinc/85/26/69/578852669.db2.gz UOXJRPMSOVFSMT-GOSISDBHSA-N 1 2 337.383 0.632 20 30 ECEDLO CCOC(=O)CON=C(C(=O)Nc1cc[nH+]c(C)c1)c1cc[nH]n1 ZINC000772268484 579202174 /nfs/dbraw/zinc/20/21/74/579202174.db2.gz VDMDOPKGOHDBNW-UHFFFAOYSA-N 1 2 331.332 0.458 20 30 ECEDLO CCOC(=O)CON=C(C(=O)Nc1cc[nH+]c(C)c1)c1ccn[nH]1 ZINC000772268484 579202175 /nfs/dbraw/zinc/20/21/75/579202175.db2.gz VDMDOPKGOHDBNW-UHFFFAOYSA-N 1 2 331.332 0.458 20 30 ECEDLO C#CCOc1cccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000778948835 579312718 /nfs/dbraw/zinc/31/27/18/579312718.db2.gz XNAGNKNQSVFWBV-CQSZACIVSA-N 1 2 345.399 0.162 20 30 ECEDLO C#CCOc1cccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000778948835 579312719 /nfs/dbraw/zinc/31/27/19/579312719.db2.gz XNAGNKNQSVFWBV-CQSZACIVSA-N 1 2 345.399 0.162 20 30 ECEDLO C[C@H]1CN=C(N[NH+]=Cc2c(N3CCOCC3)nc3ccccn32)N1 ZINC000779795463 579320844 /nfs/dbraw/zinc/32/08/44/579320844.db2.gz UCSQUBBFZKMGNO-LBPRGKRZSA-N 1 2 327.392 0.442 20 30 ECEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cc1ccc(OCC#N)cc1 ZINC000760202622 579506723 /nfs/dbraw/zinc/50/67/23/579506723.db2.gz GLGCBMBZBUKSNO-HNNXBMFYSA-N 1 2 342.355 0.755 20 30 ECEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cc1ccc(OCC#N)cc1 ZINC000760202622 579506725 /nfs/dbraw/zinc/50/67/25/579506725.db2.gz GLGCBMBZBUKSNO-HNNXBMFYSA-N 1 2 342.355 0.755 20 30 ECEDLO C#CCCCC(=O)N[C@@H](C(=O)NCC[NH+]1CCOCC1)[C@@H](C)CC ZINC000760320621 579508405 /nfs/dbraw/zinc/50/84/05/579508405.db2.gz HOBLFEOILOGPSC-DOTOQJQBSA-N 1 2 337.464 0.769 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cc(C)sc2C)CC1 ZINC000761022652 579519460 /nfs/dbraw/zinc/51/94/60/579519460.db2.gz BTBWYRVGNYNSOP-UHFFFAOYSA-N 1 2 327.475 0.950 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+]([C@@H](C)c2ccccc2F)CC1 ZINC000761024313 579519470 /nfs/dbraw/zinc/51/94/70/579519470.db2.gz MGIWLGJKLYNHAZ-ZDUSSCGKSA-N 1 2 325.409 0.972 20 30 ECEDLO C#CCC[NH+]1CCN(Cc2csc(CS(C)(=O)=O)n2)CC1 ZINC000762292895 579539768 /nfs/dbraw/zinc/53/97/68/579539768.db2.gz CZKQSDMSEVGEHJ-UHFFFAOYSA-N 1 2 327.475 0.829 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnc(NC)s2)CC1 ZINC000764159547 579571727 /nfs/dbraw/zinc/57/17/27/579571727.db2.gz UDXVJZSBNKNIEM-UHFFFAOYSA-N 1 2 335.433 0.082 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnc(NC)s2)CC1 ZINC000764159547 579571728 /nfs/dbraw/zinc/57/17/28/579571728.db2.gz UDXVJZSBNKNIEM-UHFFFAOYSA-N 1 2 335.433 0.082 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2cccc(N3C(=O)CCC3=O)c2)CC1 ZINC000744423008 579809414 /nfs/dbraw/zinc/80/94/14/579809414.db2.gz RALXPJAAJNFHGB-UHFFFAOYSA-N 1 2 325.368 0.731 20 30 ECEDLO C=C(Br)CNC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000804772939 586064004 /nfs/dbraw/zinc/06/40/04/586064004.db2.gz PESYJZOGZFFPJF-GHMZBOCLSA-N 1 2 348.241 0.237 20 30 ECEDLO Cc1cc(F)c(C#N)c(N2CC[NH+](CC(=O)N3CCOCC3)CC2)c1 ZINC000891561179 586177173 /nfs/dbraw/zinc/17/71/73/586177173.db2.gz JTFUBMRBTYJJOT-UHFFFAOYSA-N 1 2 346.406 0.987 20 30 ECEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N3CCC[C@H](C#N)C3)nc2)CC1 ZINC000895653477 586195956 /nfs/dbraw/zinc/19/59/56/586195956.db2.gz WTHGRPOZGWUZNP-CQSZACIVSA-N 1 2 349.460 0.758 20 30 ECEDLO Cn1c[nH+]c(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000898620899 586438554 /nfs/dbraw/zinc/43/85/54/586438554.db2.gz VXNLVANAKCAARF-UHFFFAOYSA-N 1 2 325.376 0.719 20 30 ECEDLO C#CC[C@H]1CCCN(C(=O)C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000843252133 589056539 /nfs/dbraw/zinc/05/65/39/589056539.db2.gz UKBKHJLBKDDRKU-CVEARBPZSA-N 1 2 335.448 0.427 20 30 ECEDLO C#CCNC(=O)C1CCN(C(=O)/C=C(\C)C[NH+]2CCOCC2)CC1 ZINC000900441240 586631804 /nfs/dbraw/zinc/63/18/04/586631804.db2.gz LCRFALPEZXSPJY-FYWRMAATSA-N 1 2 333.432 0.253 20 30 ECEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CCO[C@](C)(C#N)C2)C1 ZINC000907498318 586724864 /nfs/dbraw/zinc/72/48/64/586724864.db2.gz OLEFKDJOFJWXOC-MRXNPFEDSA-N 1 2 335.429 0.978 20 30 ECEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CCO[C@](C)(C#N)C2)C1 ZINC000907498318 586724866 /nfs/dbraw/zinc/72/48/66/586724866.db2.gz OLEFKDJOFJWXOC-MRXNPFEDSA-N 1 2 335.429 0.978 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc([C@@H]3CCC(=O)N3)cc2)CC1 ZINC000902784980 586756763 /nfs/dbraw/zinc/75/67/63/586756763.db2.gz LKTXDXLPFBKAEC-KRWDZBQOSA-N 1 2 341.411 0.794 20 30 ECEDLO Cc1cc(C#N)cc(C)c1CC(=O)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000905296819 586881974 /nfs/dbraw/zinc/88/19/74/586881974.db2.gz NJBCVSUBCRRBLX-UHFFFAOYSA-N 1 2 342.443 0.950 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 ZINC000839750701 586891873 /nfs/dbraw/zinc/89/18/73/586891873.db2.gz OKTWNVJWROFPLB-ZDUSSCGKSA-N 1 2 337.420 0.182 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 ZINC000839750701 586891876 /nfs/dbraw/zinc/89/18/76/586891876.db2.gz OKTWNVJWROFPLB-ZDUSSCGKSA-N 1 2 337.420 0.182 20 30 ECEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)c1cnc2ncccn12 ZINC000905421490 586892019 /nfs/dbraw/zinc/89/20/19/586892019.db2.gz CMZDMWDCGCWTIN-UHFFFAOYSA-N 1 2 347.448 0.250 20 30 ECEDLO CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000906472791 586951101 /nfs/dbraw/zinc/95/11/01/586951101.db2.gz MUPKTVWHJGMFBM-LSDHHAIUSA-N 1 2 337.420 0.650 20 30 ECEDLO C#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000907104507 587013309 /nfs/dbraw/zinc/01/33/09/587013309.db2.gz NNOHTCHATHOAJU-IRXDYDNUSA-N 1 2 334.441 0.888 20 30 ECEDLO C[C@@H](CNS(=O)(=O)c1ccc(C#N)cn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000907267876 587031378 /nfs/dbraw/zinc/03/13/78/587031378.db2.gz MWMLYVBDWYEHDP-RWMBFGLXSA-N 1 2 338.433 0.729 20 30 ECEDLO C[C@@H](CNS(=O)(=O)c1ccc(C#N)cn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000907267876 587031380 /nfs/dbraw/zinc/03/13/80/587031380.db2.gz MWMLYVBDWYEHDP-RWMBFGLXSA-N 1 2 338.433 0.729 20 30 ECEDLO C=CCOC[C@H]1NC(=O)N(Cc2cccnc2-n2cc[nH+]c2)C1=O ZINC000804145026 587079969 /nfs/dbraw/zinc/07/99/69/587079969.db2.gz ULUCEEHIKIDODO-CYBMUJFWSA-N 1 2 327.344 0.890 20 30 ECEDLO C=CCOC[C@@H]1NC(=O)N(Cc2ccnc(-n3cc[nH+]c3)c2)C1=O ZINC000804150058 587080308 /nfs/dbraw/zinc/08/03/08/587080308.db2.gz CVZAHIMYBLWCHW-ZDUSSCGKSA-N 1 2 327.344 0.890 20 30 ECEDLO COc1ccc(CN2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)cc1C#N ZINC000804181945 587081020 /nfs/dbraw/zinc/08/10/20/587081020.db2.gz VINVPHXMFWWVQM-ZDUSSCGKSA-N 1 2 325.328 0.953 20 30 ECEDLO COc1ccc(CN2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)cc1C#N ZINC000804181945 587081022 /nfs/dbraw/zinc/08/10/22/587081022.db2.gz VINVPHXMFWWVQM-ZDUSSCGKSA-N 1 2 325.328 0.953 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)CN2CCN(Cc3cccnc3)C2=O)C1=O ZINC000840060608 587094593 /nfs/dbraw/zinc/09/45/93/587094593.db2.gz BEUVNYWHXBKPEX-MRXNPFEDSA-N 1 2 343.431 0.995 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)CN2CCN(Cc3cccnc3)C2=O)C1=O ZINC000840060608 587094595 /nfs/dbraw/zinc/09/45/95/587094595.db2.gz BEUVNYWHXBKPEX-MRXNPFEDSA-N 1 2 343.431 0.995 20 30 ECEDLO C#CCN(Cc1ncc(C[NH+](C)C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000809550897 587179753 /nfs/dbraw/zinc/17/97/53/587179753.db2.gz OPDGPXFWIVOMPU-LBPRGKRZSA-N 1 2 327.475 0.827 20 30 ECEDLO C#CCC[C@@H](O)CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000811492733 587220248 /nfs/dbraw/zinc/22/02/48/587220248.db2.gz APXVYBIPVYJKGJ-CABCVRRESA-N 1 2 334.420 0.374 20 30 ECEDLO C#CCC[C@@H](O)CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000811492733 587220250 /nfs/dbraw/zinc/22/02/50/587220250.db2.gz APXVYBIPVYJKGJ-CABCVRRESA-N 1 2 334.420 0.374 20 30 ECEDLO Cn1ncc(C=NNC(=S)NCC[NH+]2CCOCC2)c1Cl ZINC000814716981 587278911 /nfs/dbraw/zinc/27/89/11/587278911.db2.gz MVRXGUNZNMVXPW-UHFFFAOYSA-N 1 2 330.845 0.204 20 30 ECEDLO C#Cc1cccc(CNC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000817820452 587387101 /nfs/dbraw/zinc/38/71/01/587387101.db2.gz WKBUBXDKKTUVFY-GJZGRUSLSA-N 1 2 343.427 0.510 20 30 ECEDLO C#Cc1cccc(CNC(=O)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1 ZINC000817842930 587388998 /nfs/dbraw/zinc/38/89/98/587388998.db2.gz JBYNROPITJXGCW-UHFFFAOYSA-N 1 2 343.427 0.511 20 30 ECEDLO C#Cc1cccc(CNC(=O)C(=O)NCC[N@H+]2CCOC(C)(C)C2)c1 ZINC000817842930 587388999 /nfs/dbraw/zinc/38/89/99/587388999.db2.gz JBYNROPITJXGCW-UHFFFAOYSA-N 1 2 343.427 0.511 20 30 ECEDLO CN(C)C(=O)COc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000819404071 587478346 /nfs/dbraw/zinc/47/83/46/587478346.db2.gz HPZYNOSOMJRELO-OAHLLOKOSA-N 1 2 334.420 0.772 20 30 ECEDLO CN(C)C(=O)COc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000819404071 587478347 /nfs/dbraw/zinc/47/83/47/587478347.db2.gz HPZYNOSOMJRELO-OAHLLOKOSA-N 1 2 334.420 0.772 20 30 ECEDLO C#CCCOc1ccc(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1 ZINC000823099543 587702227 /nfs/dbraw/zinc/70/22/27/587702227.db2.gz CDSWNTPYOZVVRP-UHFFFAOYSA-N 1 2 329.400 0.722 20 30 ECEDLO C#CCCOc1ccc(C(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1 ZINC000823099543 587702229 /nfs/dbraw/zinc/70/22/29/587702229.db2.gz CDSWNTPYOZVVRP-UHFFFAOYSA-N 1 2 329.400 0.722 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](c2ccccc2)[C@@H](C)C(=O)[O-])CC1 ZINC000825619783 587953592 /nfs/dbraw/zinc/95/35/92/587953592.db2.gz OTHXWFVCKWBDNC-QAPCUYQASA-N 1 2 343.427 0.815 20 30 ECEDLO COCC#CC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000826147182 587998321 /nfs/dbraw/zinc/99/83/21/587998321.db2.gz PGPSXSYIWXYQRX-UHFFFAOYSA-N 1 2 330.367 0.778 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](OC)C2CCCC2)CC1 ZINC000826549592 588069341 /nfs/dbraw/zinc/06/93/41/588069341.db2.gz JTZAWUVBVLZCJJ-QGZVFWFLSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](OC)C2CCCC2)CC1 ZINC000826549592 588069343 /nfs/dbraw/zinc/06/93/43/588069343.db2.gz JTZAWUVBVLZCJJ-QGZVFWFLSA-N 1 2 335.448 0.475 20 30 ECEDLO C#Cc1cnc(N2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)nc1 ZINC000827360501 588114947 /nfs/dbraw/zinc/11/49/47/588114947.db2.gz KEHOGBNUBDVDCL-HNNXBMFYSA-N 1 2 327.432 0.981 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H](C[C@H]2COCCO2)C(F)(F)F)CC1 ZINC000827526851 588125440 /nfs/dbraw/zinc/12/54/40/588125440.db2.gz QCJYALFZPJGTIT-STQMWFEESA-N 1 2 334.338 0.748 20 30 ECEDLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@@H]1CCCN(O)C1=O ZINC000848134191 589279572 /nfs/dbraw/zinc/27/95/72/589279572.db2.gz PFEHDUTWJJUNJG-OAHLLOKOSA-N 1 2 328.372 0.970 20 30 ECEDLO C#CCN1C(=O)C[C@@H]([N@H+]2C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C2)C1=O ZINC000849180692 589322429 /nfs/dbraw/zinc/32/24/29/589322429.db2.gz WYOSQCSUSHFFJQ-OUAUKWLOSA-N 1 2 346.305 0.421 20 30 ECEDLO C#CCN1C(=O)C[C@@H]([N@@H+]2C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C2)C1=O ZINC000849180692 589322430 /nfs/dbraw/zinc/32/24/30/589322430.db2.gz WYOSQCSUSHFFJQ-OUAUKWLOSA-N 1 2 346.305 0.421 20 30 ECEDLO C#CCCN(CCOC)C(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000850711078 589381236 /nfs/dbraw/zinc/38/12/36/589381236.db2.gz AHZFSXYTVFKJIL-HZPDHXFCSA-N 1 2 346.431 0.791 20 30 ECEDLO CN1CC(=O)N(CC[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1=O ZINC000851881981 589431261 /nfs/dbraw/zinc/43/12/61/589431261.db2.gz RKZCZYDLAYZXGX-HNNXBMFYSA-N 1 2 328.372 0.826 20 30 ECEDLO CN1CC(=O)N(CC[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1=O ZINC000851881981 589431263 /nfs/dbraw/zinc/43/12/63/589431263.db2.gz RKZCZYDLAYZXGX-HNNXBMFYSA-N 1 2 328.372 0.826 20 30 ECEDLO C#Cc1cccnc1N1CC[NH+]([C@@H](C)C(=O)NCCCOC)CC1 ZINC000853268700 589539300 /nfs/dbraw/zinc/53/93/00/589539300.db2.gz CUYCKEKPYNUVKK-HNNXBMFYSA-N 1 2 330.432 0.726 20 30 ECEDLO COC(=O)CC[C@]1(C)NC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853525154 589546483 /nfs/dbraw/zinc/54/64/83/589546483.db2.gz TXGBMBNKMCOAJR-LRDDRELGSA-N 1 2 336.392 0.833 20 30 ECEDLO COC(=O)CC[C@]1(C)NC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853525154 589546485 /nfs/dbraw/zinc/54/64/85/589546485.db2.gz TXGBMBNKMCOAJR-LRDDRELGSA-N 1 2 336.392 0.833 20 30 ECEDLO N#CCNC(=O)C[NH+]1CCC(c2nccc(N3CCOCC3)n2)CC1 ZINC000854105196 589571534 /nfs/dbraw/zinc/57/15/34/589571534.db2.gz QHPWFWUDPCAWGJ-UHFFFAOYSA-N 1 2 344.419 0.132 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)NC(C)C)c2)CC1 ZINC000112920894 589617631 /nfs/dbraw/zinc/61/76/31/589617631.db2.gz FQBUKQPNMUUIRI-UHFFFAOYSA-N 1 2 349.456 0.764 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000856078724 589653854 /nfs/dbraw/zinc/65/38/54/589653854.db2.gz XNYGKIWOSHYHKB-APWZRJJASA-N 1 2 346.427 0.404 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000856078724 589653856 /nfs/dbraw/zinc/65/38/56/589653856.db2.gz XNYGKIWOSHYHKB-APWZRJJASA-N 1 2 346.427 0.404 20 30 ECEDLO CCOc1cncc(C=NNC(=S)NCC[NH+]2CCOCC2)c1 ZINC000857205759 589689616 /nfs/dbraw/zinc/68/96/16/589689616.db2.gz LGUHPKCZXSCBTC-UHFFFAOYSA-N 1 2 337.449 0.611 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3cn[nH]c3)n2C[C@H]2CCCO2)CC1 ZINC000859085193 589798332 /nfs/dbraw/zinc/79/83/32/589798332.db2.gz MAOJOINISWNKON-OAHLLOKOSA-N 1 2 341.419 0.602 20 30 ECEDLO C#CCSCCNC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000868298954 589890355 /nfs/dbraw/zinc/89/03/55/589890355.db2.gz XRZCSJPOGHVUIV-UHFFFAOYSA-N 1 2 333.461 0.713 20 30 ECEDLO Cc1cc(C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)ncc1C#N ZINC000870058497 589992547 /nfs/dbraw/zinc/99/25/47/589992547.db2.gz RFSGBJCJAIUEID-OAHLLOKOSA-N 1 2 330.388 0.435 20 30 ECEDLO N#Cc1ccc(CC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000870070828 589997076 /nfs/dbraw/zinc/99/70/76/589997076.db2.gz PYBWLQMATSCFAI-QGZVFWFLSA-N 1 2 329.400 0.660 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCNC(=O)CC12CCOCC2 ZINC000872289716 590111521 /nfs/dbraw/zinc/11/15/21/590111521.db2.gz AIUDXJGTZZISSW-MRXNPFEDSA-N 1 2 336.436 0.412 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCNC(=O)CC12CCOCC2 ZINC000872289716 590111523 /nfs/dbraw/zinc/11/15/23/590111523.db2.gz AIUDXJGTZZISSW-MRXNPFEDSA-N 1 2 336.436 0.412 20 30 ECEDLO Cc1ccc(S(=O)(=O)N2CC(C[NH+]3CCOCC3)C2)c(C#N)c1 ZINC000872490005 590120944 /nfs/dbraw/zinc/12/09/44/590120944.db2.gz WNJJUTOYIWLBJE-UHFFFAOYSA-N 1 2 335.429 0.819 20 30 ECEDLO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c(C#N)c1 ZINC000872498782 590121536 /nfs/dbraw/zinc/12/15/36/590121536.db2.gz YQAYOYGHRYBBLL-KGLIPLIRSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1ccc(S(=O)(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)c(C#N)c1 ZINC000872498782 590121539 /nfs/dbraw/zinc/12/15/39/590121539.db2.gz YQAYOYGHRYBBLL-KGLIPLIRSA-N 1 2 337.445 0.942 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ncc3ccccn32)CC1 ZINC000865177672 590129832 /nfs/dbraw/zinc/12/98/32/590129832.db2.gz HEIUFYIBWIVPBN-UHFFFAOYSA-N 1 2 339.399 0.232 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ncc3ccccn32)CC1 ZINC000865177672 590129833 /nfs/dbraw/zinc/12/98/33/590129833.db2.gz HEIUFYIBWIVPBN-UHFFFAOYSA-N 1 2 339.399 0.232 20 30 ECEDLO COC[C@]1(C)NC(=O)N(C[N@H+](C)CCc2cccc(C#N)c2)C1=O ZINC000872705658 590143174 /nfs/dbraw/zinc/14/31/74/590143174.db2.gz UIIDFCNNRAMDSD-KRWDZBQOSA-N 1 2 330.388 0.947 20 30 ECEDLO COC[C@]1(C)NC(=O)N(C[N@@H+](C)CCc2cccc(C#N)c2)C1=O ZINC000872705658 590143176 /nfs/dbraw/zinc/14/31/76/590143176.db2.gz UIIDFCNNRAMDSD-KRWDZBQOSA-N 1 2 330.388 0.947 20 30 ECEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000874348694 590233551 /nfs/dbraw/zinc/23/35/51/590233551.db2.gz YUNOARRXKCNOCQ-CQSZACIVSA-N 1 2 348.378 0.863 20 30 ECEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000874348694 590233552 /nfs/dbraw/zinc/23/35/52/590233552.db2.gz YUNOARRXKCNOCQ-CQSZACIVSA-N 1 2 348.378 0.863 20 30 ECEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000874704703 590249202 /nfs/dbraw/zinc/24/92/02/590249202.db2.gz LYQWCANFRIXKSA-OAHLLOKOSA-N 1 2 330.384 0.994 20 30 ECEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000874704703 590249203 /nfs/dbraw/zinc/24/92/03/590249203.db2.gz LYQWCANFRIXKSA-OAHLLOKOSA-N 1 2 330.384 0.994 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cn1ccc(Br)cc1=O ZINC000875705945 590322791 /nfs/dbraw/zinc/32/27/91/590322791.db2.gz WLSGCHLTRSIUAA-ZDUSSCGKSA-N 1 2 341.209 0.571 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)CSc3ccccc32)CC1 ZINC000128352105 590383714 /nfs/dbraw/zinc/38/37/14/590383714.db2.gz CKEILRSKRJMWQP-UHFFFAOYSA-N 1 2 329.425 0.903 20 30 ECEDLO C#CC[N@@H+](Cc1cccn(C(F)F)c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000876625599 590393125 /nfs/dbraw/zinc/39/31/25/590393125.db2.gz ZKFKKIDTPZGSAV-GFCCVEGCSA-N 1 2 330.356 0.866 20 30 ECEDLO C#CC[N@H+](Cc1cccn(C(F)F)c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000876625599 590393127 /nfs/dbraw/zinc/39/31/27/590393127.db2.gz ZKFKKIDTPZGSAV-GFCCVEGCSA-N 1 2 330.356 0.866 20 30 ECEDLO COC(=O)[C@]1(O)CC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000880564480 590405278 /nfs/dbraw/zinc/40/52/78/590405278.db2.gz NSQNLNWZWNIKNY-ABAIWWIYSA-N 1 2 335.385 0.335 20 30 ECEDLO COC(=O)[C@]1(O)CC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000880564480 590405279 /nfs/dbraw/zinc/40/52/79/590405279.db2.gz NSQNLNWZWNIKNY-ABAIWWIYSA-N 1 2 335.385 0.335 20 30 ECEDLO CCOCCOCCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000877883445 590484666 /nfs/dbraw/zinc/48/46/66/590484666.db2.gz PRFJJMOMLANSIT-UHFFFAOYSA-N 1 2 335.404 0.605 20 30 ECEDLO C#CCNc1nc(N2CC[C@H](CF)C2)nc(N2CC[C@H](CF)C2)[nH+]1 ZINC000882840337 590589581 /nfs/dbraw/zinc/58/95/81/590589581.db2.gz RFHINNVYTWQEEA-CHWSQXEVSA-N 1 2 336.390 0.930 20 30 ECEDLO C#CCNc1nc(N2CC[C@H](CF)C2)[nH+]c(N2CC[C@H](CF)C2)n1 ZINC000882840337 590589583 /nfs/dbraw/zinc/58/95/83/590589583.db2.gz RFHINNVYTWQEEA-CHWSQXEVSA-N 1 2 336.390 0.930 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cc(C)cc(C(N)=O)c2)C1 ZINC000885508336 590728845 /nfs/dbraw/zinc/72/88/45/590728845.db2.gz FTUZMBFOKOCLOX-AWEZNQCLSA-N 1 2 335.429 0.470 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(C)cc(C(N)=O)c2)C1 ZINC000885508336 590728848 /nfs/dbraw/zinc/72/88/48/590728848.db2.gz FTUZMBFOKOCLOX-AWEZNQCLSA-N 1 2 335.429 0.470 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)[C@@H](CCC)C(=O)OCC)C1 ZINC000885509832 590729353 /nfs/dbraw/zinc/72/93/53/590729353.db2.gz XTRFESSKYNBRPT-KGLIPLIRSA-N 1 2 330.450 0.735 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)[C@@H](CCC)C(=O)OCC)C1 ZINC000885509832 590729355 /nfs/dbraw/zinc/72/93/55/590729355.db2.gz XTRFESSKYNBRPT-KGLIPLIRSA-N 1 2 330.450 0.735 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2c(CC)nn(C)c2CC)C1 ZINC000885512644 590729647 /nfs/dbraw/zinc/72/96/47/590729647.db2.gz XJBVMEDBPLAPJN-ZDUSSCGKSA-N 1 2 338.477 0.921 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2c(CC)nn(C)c2CC)C1 ZINC000885512644 590729653 /nfs/dbraw/zinc/72/96/53/590729653.db2.gz XJBVMEDBPLAPJN-ZDUSSCGKSA-N 1 2 338.477 0.921 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](CC)N(C(C)=O)C[C@H]1CC ZINC000884157045 590756035 /nfs/dbraw/zinc/75/60/35/590756035.db2.gz REALTDNPCMAHHE-KFWWJZLASA-N 1 2 339.436 0.681 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(c2ccccc2O)CC1 ZINC000884175796 590762804 /nfs/dbraw/zinc/76/28/04/590762804.db2.gz IHVQNUDLNRSTEE-ZDUSSCGKSA-N 1 2 333.388 0.487 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000886091951 590794528 /nfs/dbraw/zinc/79/45/28/590794528.db2.gz KQGDBODHJKQOAE-GJZGRUSLSA-N 1 2 327.450 0.029 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1nc2cc(C)ccc2n1C ZINC000884324252 590805570 /nfs/dbraw/zinc/80/55/70/590805570.db2.gz LMXBTFXAIPVTAD-LBPRGKRZSA-N 1 2 330.388 0.945 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H](n1cccn1)C(F)(F)F ZINC000884428954 590825978 /nfs/dbraw/zinc/82/59/78/590825978.db2.gz SPQMUHYYEACJAM-UWVGGRQHSA-N 1 2 334.298 0.549 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(c2ccc(C#N)cc2)CC1 ZINC000884471057 590836277 /nfs/dbraw/zinc/83/62/77/590836277.db2.gz KIABOXIKXNXSCQ-INIZCTEOSA-N 1 2 342.399 0.653 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2nc(C)cc(=O)[nH]2)CC1 ZINC000886655348 590868721 /nfs/dbraw/zinc/86/87/21/590868721.db2.gz LUIIYUKUKYJHMM-ZDUSSCGKSA-N 1 2 346.435 0.621 20 30 ECEDLO COc1cccc(/C=[NH+]/CCc2nnc3c(=O)n(C)ccn23)c1O ZINC000887270010 590956014 /nfs/dbraw/zinc/95/60/14/590956014.db2.gz FTNMCHICWLVWLT-LICLKQGHSA-N 1 2 327.344 0.804 20 30 ECEDLO C[C@@]1(C#N)CN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CCO1 ZINC000887676998 590991142 /nfs/dbraw/zinc/99/11/42/590991142.db2.gz OJNBSWFFVWQCAN-QGZVFWFLSA-N 1 2 329.404 0.345 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC000946979167 611393804 /nfs/dbraw/zinc/39/38/04/611393804.db2.gz NVPRDFUHXFSFOR-ZIAGYGMSSA-N 1 2 334.420 0.897 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000948102379 611428615 /nfs/dbraw/zinc/42/86/15/611428615.db2.gz KLCCASYWSUAGCF-QWHCGFSZSA-N 1 2 329.404 0.712 20 30 ECEDLO N#CC[C@@H](O)CN1CC[N@H+](C[C@H](O)CC#N)C[C@@H]1c1ccccc1 ZINC000930673926 611453630 /nfs/dbraw/zinc/45/36/30/611453630.db2.gz JQHGBVHYFXIBKK-KZNAEPCWSA-N 1 2 328.416 0.894 20 30 ECEDLO N#CC[C@@H](O)CN1CC[N@@H+](C[C@H](O)CC#N)C[C@@H]1c1ccccc1 ZINC000930673926 611453633 /nfs/dbraw/zinc/45/36/33/611453633.db2.gz JQHGBVHYFXIBKK-KZNAEPCWSA-N 1 2 328.416 0.894 20 30 ECEDLO N#CC[C@@H](O)CN1CC[N@H+](C[C@H](O)CC#N)[C@@H](c2ccccc2)C1 ZINC000930673926 611453635 /nfs/dbraw/zinc/45/36/35/611453635.db2.gz JQHGBVHYFXIBKK-KZNAEPCWSA-N 1 2 328.416 0.894 20 30 ECEDLO N#CC[C@@H](O)CN1CC[N@@H+](C[C@H](O)CC#N)[C@@H](c2ccccc2)C1 ZINC000930673926 611453638 /nfs/dbraw/zinc/45/36/38/611453638.db2.gz JQHGBVHYFXIBKK-KZNAEPCWSA-N 1 2 328.416 0.894 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC(NC(=O)Cn3cc[nH+]c3)CC2)nn1 ZINC000946788254 611479884 /nfs/dbraw/zinc/47/98/84/611479884.db2.gz QGPQARFNCKMVDX-UHFFFAOYSA-N 1 2 343.391 0.082 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC(NC(=O)Cc3[nH]cc[nH+]3)CC2)c1 ZINC000948293622 611505752 /nfs/dbraw/zinc/50/57/52/611505752.db2.gz YSNQMBFLHYOUFX-UHFFFAOYSA-N 1 2 337.383 0.750 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000937842862 609110444 /nfs/dbraw/zinc/11/04/44/609110444.db2.gz OROAVEXNGKYOCM-ZDUSSCGKSA-N 1 2 340.387 0.583 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000937842631 609110478 /nfs/dbraw/zinc/11/04/78/609110478.db2.gz LDYXGPGRBBHCKA-LBPRGKRZSA-N 1 2 326.360 0.491 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc3c(c2)OCC(=O)N3)C1 ZINC000919875360 609665069 /nfs/dbraw/zinc/66/50/69/609665069.db2.gz SDPRPSSSZXCVHA-GFCCVEGCSA-N 1 2 349.412 0.393 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc3c(c2)OCC(=O)N3)C1 ZINC000919875360 609665070 /nfs/dbraw/zinc/66/50/70/609665070.db2.gz SDPRPSSSZXCVHA-GFCCVEGCSA-N 1 2 349.412 0.393 20 30 ECEDLO COC(=O)C1(C#N)CCN(C(=O)/C=C(\C)C[NH+]2CCOCC2)CC1 ZINC000908995800 609673622 /nfs/dbraw/zinc/67/36/22/609673622.db2.gz BJDDCJJDMLCARL-SDNWHVSQSA-N 1 2 335.404 0.570 20 30 ECEDLO Cc1cccc(CS(=O)(=O)CCC(=O)NCC#CC[NH+](C)C)c1 ZINC000913523263 609684120 /nfs/dbraw/zinc/68/41/20/609684120.db2.gz SAHVSJQYJIHSQJ-UHFFFAOYSA-N 1 2 336.457 0.981 20 30 ECEDLO C[N@@H+]1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C[C@@H]1CO ZINC000913542545 609688777 /nfs/dbraw/zinc/68/87/77/609688777.db2.gz MOPSVHKQPKCROQ-LLVKDONJSA-N 1 2 328.294 0.721 20 30 ECEDLO C[N@H+]1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C[C@@H]1CO ZINC000913542545 609688778 /nfs/dbraw/zinc/68/87/78/609688778.db2.gz MOPSVHKQPKCROQ-LLVKDONJSA-N 1 2 328.294 0.721 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)cn1 ZINC000938372437 609759195 /nfs/dbraw/zinc/75/91/95/609759195.db2.gz HITZYXVLSWIOEB-HNNXBMFYSA-N 1 2 337.383 0.370 20 30 ECEDLO N#CC[C@]1(O)CCN(C(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000911526507 609891649 /nfs/dbraw/zinc/89/16/49/609891649.db2.gz INMLFVRUYYBLSE-KRWDZBQOSA-N 1 2 332.404 0.311 20 30 ECEDLO CC1(C)CC(=O)C(=CNNc2ccc(S(N)(=O)=O)c[nH+]2)C(=O)C1 ZINC000914867589 609898641 /nfs/dbraw/zinc/89/86/41/609898641.db2.gz HIFPSASBWDTYNE-UHFFFAOYSA-N 1 2 338.389 0.488 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)Cc1csc(C#N)c1 ZINC000916417228 609939357 /nfs/dbraw/zinc/93/93/57/609939357.db2.gz PDJFLIOJYSSURM-VXGBXAGGSA-N 1 2 343.474 0.836 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)Cc1csc(C#N)c1 ZINC000916417228 609939359 /nfs/dbraw/zinc/93/93/59/609939359.db2.gz PDJFLIOJYSSURM-VXGBXAGGSA-N 1 2 343.474 0.836 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000912897786 610018532 /nfs/dbraw/zinc/01/85/32/610018532.db2.gz YNEKTLDHGYOYNH-CQSZACIVSA-N 1 2 325.409 0.022 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000912897786 610018534 /nfs/dbraw/zinc/01/85/34/610018534.db2.gz YNEKTLDHGYOYNH-CQSZACIVSA-N 1 2 325.409 0.022 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(C)no3)C2)nn1 ZINC000939276506 610146324 /nfs/dbraw/zinc/14/63/24/610146324.db2.gz GAHILHUJOYCMBL-ZYHUDNBSSA-N 1 2 331.380 0.406 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC000939307121 610157787 /nfs/dbraw/zinc/15/77/87/610157787.db2.gz NKSCNCFNKXEGHC-HNNXBMFYSA-N 1 2 337.383 0.702 20 30 ECEDLO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cccc4n[nH]nc43)CC2)C1 ZINC000941420398 610306507 /nfs/dbraw/zinc/30/65/07/610306507.db2.gz ZLQHXXHZDWEXHM-UHFFFAOYSA-N 1 2 340.431 0.976 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cn(C)nc3C3CCC3)CC2)C1 ZINC000941463529 610321768 /nfs/dbraw/zinc/32/17/68/610321768.db2.gz ZQRSTXYJGGTIIJ-UHFFFAOYSA-N 1 2 341.459 0.763 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000941449856 610324082 /nfs/dbraw/zinc/32/40/82/610324082.db2.gz TYVDBSWNFJAQAT-ZIAGYGMSSA-N 1 2 329.404 0.666 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(OC)cc3F)CC2)C1 ZINC000941476274 610332427 /nfs/dbraw/zinc/33/24/27/610332427.db2.gz VPNHMWVLEQMGLE-UHFFFAOYSA-N 1 2 331.391 0.910 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnc4ccc(C)cn34)CC2)C1 ZINC000941485575 610337891 /nfs/dbraw/zinc/33/78/91/610337891.db2.gz VRCJJFHXVORCHD-UHFFFAOYSA-N 1 2 337.427 0.718 20 30 ECEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000940705727 610338512 /nfs/dbraw/zinc/33/85/12/610338512.db2.gz ZPWYFAQBYFHLEE-QMTHXVAHSA-N 1 2 326.360 0.429 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC000940706801 610338725 /nfs/dbraw/zinc/33/87/25/610338725.db2.gz AICBAMDXURIOSB-MLGOLLRUSA-N 1 2 337.383 0.605 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnc4nccn4c3)CC2)C1 ZINC000941487674 610339047 /nfs/dbraw/zinc/33/90/47/610339047.db2.gz QBLAIMYLAODCQE-UHFFFAOYSA-N 1 2 338.415 0.195 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)C1 ZINC000941492439 610340570 /nfs/dbraw/zinc/34/05/70/610340570.db2.gz WMVDMUKJCYHEBT-RYQLBKOJSA-N 1 2 331.460 0.653 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccnc4[nH]c(C)nc43)CC2)C1 ZINC000941498429 610343694 /nfs/dbraw/zinc/34/36/94/610343694.db2.gz CUZLQKWQCABHTD-UHFFFAOYSA-N 1 2 338.415 0.342 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnn4ccccc34)CC2)C1 ZINC000941607677 610405500 /nfs/dbraw/zinc/40/55/00/610405500.db2.gz VAJMSSJAJNJNAM-UHFFFAOYSA-N 1 2 337.427 0.800 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000940901284 610426410 /nfs/dbraw/zinc/42/64/10/610426410.db2.gz SZCQNZCXMCFDNF-QWHCGFSZSA-N 1 2 329.404 0.639 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c(C)nn(C)c3F)CC2)C1 ZINC000941654884 610430050 /nfs/dbraw/zinc/43/00/50/610430050.db2.gz NIWHOMVAKRYTTG-UHFFFAOYSA-N 1 2 333.411 0.333 20 30 ECEDLO C=C(Cl)CN1CC(N2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC000941653310 610442657 /nfs/dbraw/zinc/44/26/57/610442657.db2.gz OBFMFNDHKQSXOP-UHFFFAOYSA-N 1 2 337.855 0.842 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)[C@@H](C)C1 ZINC000942562098 610518184 /nfs/dbraw/zinc/51/81/84/610518184.db2.gz HGBBLTCCJJQZMX-WCBMZHEXSA-N 1 2 343.229 0.559 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)[C@@H](C)C1 ZINC000942562098 610518185 /nfs/dbraw/zinc/51/81/85/610518185.db2.gz HGBBLTCCJJQZMX-WCBMZHEXSA-N 1 2 343.229 0.559 20 30 ECEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)C2CCS(=O)(=O)CC2)C(C)(C)C1 ZINC000941068783 610525183 /nfs/dbraw/zinc/52/51/83/610525183.db2.gz UMGYROXIUKPMHD-CQSZACIVSA-N 1 2 326.462 0.661 20 30 ECEDLO C#CC[N@H+]1CC[C@@H](NC(=O)C2CCS(=O)(=O)CC2)C(C)(C)C1 ZINC000941068783 610525184 /nfs/dbraw/zinc/52/51/84/610525184.db2.gz UMGYROXIUKPMHD-CQSZACIVSA-N 1 2 326.462 0.661 20 30 ECEDLO C#CC[N@H+]1CC[C@H](NC(=O)[C@]2(C)CCCS2(=O)=O)C(C)(C)C1 ZINC000941090823 610531964 /nfs/dbraw/zinc/53/19/64/610531964.db2.gz KBQBDKGESLNZQN-BBRMVZONSA-N 1 2 326.462 0.804 20 30 ECEDLO C#CC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCCS2(=O)=O)C(C)(C)C1 ZINC000941090823 610531965 /nfs/dbraw/zinc/53/19/65/610531965.db2.gz KBQBDKGESLNZQN-BBRMVZONSA-N 1 2 326.462 0.804 20 30 ECEDLO Cc1ncccc1C[NH+]1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC000941349588 610685804 /nfs/dbraw/zinc/68/58/04/610685804.db2.gz ZBRGBNBBQKKOGI-AWEZNQCLSA-N 1 2 327.432 0.878 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCc3cnn(C)c3C)CC2)C1 ZINC000941423875 610724139 /nfs/dbraw/zinc/72/41/39/610724139.db2.gz DSCNDOBIOYCNOG-UHFFFAOYSA-N 1 2 343.475 0.513 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccnn3CCC)CC2)C1 ZINC000941424675 610724668 /nfs/dbraw/zinc/72/46/68/610724668.db2.gz WOIYXXDWSKSFJH-UHFFFAOYSA-N 1 2 329.448 0.758 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000944177061 610777586 /nfs/dbraw/zinc/77/75/86/610777586.db2.gz YJLZXDHQKSLIML-CYBMUJFWSA-N 1 2 340.387 0.881 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)CCc1[nH]cc[nH+]1)CC2 ZINC000944923261 610832472 /nfs/dbraw/zinc/83/24/72/610832472.db2.gz QUNNBRZMMPBUKV-ZDUSSCGKSA-N 1 2 329.404 0.953 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(C1)CCN(C(=O)Cc1c[nH+]cn1C)CC2 ZINC000944397586 610849062 /nfs/dbraw/zinc/84/90/62/610849062.db2.gz OFLVDOIUGBNJQI-CQSZACIVSA-N 1 2 343.431 0.963 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3nccn3C)C[C@H]2C)nn1 ZINC000943480269 610867910 /nfs/dbraw/zinc/86/79/10/610867910.db2.gz BNPALCAMERAABM-KGLIPLIRSA-N 1 2 343.435 0.838 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3nccn3C)C[C@H]2C)nn1 ZINC000943480269 610867911 /nfs/dbraw/zinc/86/79/11/610867911.db2.gz BNPALCAMERAABM-KGLIPLIRSA-N 1 2 343.435 0.838 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)no3)C[C@H]2C)nn1 ZINC000943482618 610869400 /nfs/dbraw/zinc/86/94/00/610869400.db2.gz PRIVUGNYVQOPDC-YPMHNXCESA-N 1 2 345.407 0.796 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)no3)C[C@H]2C)nn1 ZINC000943482618 610869403 /nfs/dbraw/zinc/86/94/03/610869403.db2.gz PRIVUGNYVQOPDC-YPMHNXCESA-N 1 2 345.407 0.796 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2[C@@H](CCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000945948105 611163827 /nfs/dbraw/zinc/16/38/27/611163827.db2.gz VCRQTCWVEJMFHO-GJZGRUSLSA-N 1 2 326.400 0.815 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CS(C)(=O)=O)CC[C@@H]2C1 ZINC000946499468 611285911 /nfs/dbraw/zinc/28/59/11/611285911.db2.gz LVFOUQLRVMIULU-BETUJISGSA-N 1 2 334.869 0.954 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CS(C)(=O)=O)CC[C@@H]2C1 ZINC000946499468 611285912 /nfs/dbraw/zinc/28/59/12/611285912.db2.gz LVFOUQLRVMIULU-BETUJISGSA-N 1 2 334.869 0.954 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cnn(C)n3)[C@@H](C)C2)cn1 ZINC000947949575 611753191 /nfs/dbraw/zinc/75/31/91/611753191.db2.gz XQJPYVBVWBADDQ-BBRMVZONSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(C)n3)[C@@H](C)C2)cn1 ZINC000947949575 611753194 /nfs/dbraw/zinc/75/31/94/611753194.db2.gz XQJPYVBVWBADDQ-BBRMVZONSA-N 1 2 338.415 0.974 20 30 ECEDLO C=CCC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC2)C1 ZINC000949398039 611964969 /nfs/dbraw/zinc/96/49/69/611964969.db2.gz FFAITALMOHQYKT-CQSZACIVSA-N 1 2 344.477 0.689 20 30 ECEDLO C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC2)C1 ZINC000949398039 611964971 /nfs/dbraw/zinc/96/49/71/611964971.db2.gz FFAITALMOHQYKT-CQSZACIVSA-N 1 2 344.477 0.689 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)CCc3cncnc3)CC2)C1 ZINC000949414815 611971133 /nfs/dbraw/zinc/97/11/33/611971133.db2.gz GZJBUERVIGUMCI-UHFFFAOYSA-N 1 2 328.416 0.736 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)CCc3cncnc3)CC2)C1 ZINC000949414815 611971134 /nfs/dbraw/zinc/97/11/34/611971134.db2.gz GZJBUERVIGUMCI-UHFFFAOYSA-N 1 2 328.416 0.736 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000949448706 611984558 /nfs/dbraw/zinc/98/45/58/611984558.db2.gz GUVQSGFJCUYZGL-FZMZJTMJSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000949448706 611984559 /nfs/dbraw/zinc/98/45/59/611984559.db2.gz GUVQSGFJCUYZGL-FZMZJTMJSA-N 1 2 340.387 0.819 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[NH+](CCCN3CCCC3=O)CC2)c1 ZINC000950411050 612006366 /nfs/dbraw/zinc/00/63/66/612006366.db2.gz FSYPYWSHGNTTGG-UHFFFAOYSA-N 1 2 340.427 0.833 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)C1 ZINC000949522996 612019525 /nfs/dbraw/zinc/01/95/25/612019525.db2.gz BGCOIBKEWNXIQA-UHFFFAOYSA-N 1 2 339.399 0.898 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)C1 ZINC000949522996 612019527 /nfs/dbraw/zinc/01/95/27/612019527.db2.gz BGCOIBKEWNXIQA-UHFFFAOYSA-N 1 2 339.399 0.898 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000950477966 612034489 /nfs/dbraw/zinc/03/44/89/612034489.db2.gz QECDNBBYACWDGA-ZDUSSCGKSA-N 1 2 340.387 0.583 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)[nH]1 ZINC000950482082 612035234 /nfs/dbraw/zinc/03/52/34/612035234.db2.gz JLMVXDYDNPSZKR-GFCCVEGCSA-N 1 2 326.360 0.573 20 30 ECEDLO N#Cc1cc(C(=O)N2CCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c[nH]1 ZINC000950517869 612049647 /nfs/dbraw/zinc/04/96/47/612049647.db2.gz UQQWEDDOFOIVPG-LBPRGKRZSA-N 1 2 326.360 0.573 20 30 ECEDLO N#Cc1cc(C(=O)N[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)c[nH]1 ZINC000951249515 612103535 /nfs/dbraw/zinc/10/35/35/612103535.db2.gz BRBYTIOMOFISIK-ZDUSSCGKSA-N 1 2 326.360 0.504 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000952921498 612125833 /nfs/dbraw/zinc/12/58/33/612125833.db2.gz FRKFLRCREFRZSY-WMLDXEAASA-N 1 2 329.404 0.884 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000953157866 612184170 /nfs/dbraw/zinc/18/41/70/612184170.db2.gz DWCSLIBFMSWDFE-SUMWQHHRSA-N 1 2 329.404 0.953 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000953169166 612190426 /nfs/dbraw/zinc/19/04/26/612190426.db2.gz WLKFDRTYVVDFLS-SFHVURJKSA-N 1 2 326.400 0.817 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)c[nH]1 ZINC000952149008 612248071 /nfs/dbraw/zinc/24/80/71/612248071.db2.gz CEWBOGOZMBOCED-GFCCVEGCSA-N 1 2 326.360 0.573 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC000952149590 612248671 /nfs/dbraw/zinc/24/86/71/612248671.db2.gz SRSJBKQSHCSETA-GFCCVEGCSA-N 1 2 326.360 0.573 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC000952151054 612249811 /nfs/dbraw/zinc/24/98/11/612249811.db2.gz AYYYSWCUSWFDAS-GFCCVEGCSA-N 1 2 343.391 0.151 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000952172690 612263488 /nfs/dbraw/zinc/26/34/88/612263488.db2.gz FFUWKAJKMZINPC-MCIONIFRSA-N 1 2 332.404 0.651 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CCc1[nH+]ccn1C ZINC000952174250 612264186 /nfs/dbraw/zinc/26/41/86/612264186.db2.gz FSHQICKQWNPDDF-ZNMIVQPWSA-N 1 2 346.431 0.661 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CCc1c[nH+]cn1C ZINC000952174462 612264724 /nfs/dbraw/zinc/26/47/24/612264724.db2.gz KUVZDXVCJDOHRG-XHSDSOJGSA-N 1 2 346.431 0.661 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)[nH]1 ZINC000955985157 612566781 /nfs/dbraw/zinc/56/67/81/612566781.db2.gz 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CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc4n[nH]c(C)c4c3)[C@H]2C1 ZINC001083275229 738418149 /nfs/dbraw/zinc/41/81/49/738418149.db2.gz UCZBEHXMTCSQSY-JKSUJKDBSA-N 1 2 339.399 0.815 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc4n[nH]c(C)c4c3)[C@H]2C1 ZINC001083275229 738418152 /nfs/dbraw/zinc/41/81/52/738418152.db2.gz UCZBEHXMTCSQSY-JKSUJKDBSA-N 1 2 339.399 0.815 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N(C)[C@@H](C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001104541839 738449161 /nfs/dbraw/zinc/44/91/61/738449161.db2.gz VVVXICAUIMNTGK-ZBEGNZNMSA-N 1 2 336.440 0.832 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)c1 ZINC000972989777 738488827 /nfs/dbraw/zinc/48/88/27/738488827.db2.gz KWPBGNNCNOPZAS-NVXWUHKLSA-N 1 2 349.394 0.633 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC(C)(C)CO2)[C@@H](n2ccnn2)C1 ZINC001069978114 790271172 /nfs/dbraw/zinc/27/11/72/790271172.db2.gz XNVHLHUNQLUQRX-OAGGEKHMSA-N 1 2 345.447 0.848 20 30 ECEDLO 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/nfs/dbraw/zinc/47/55/48/736475548.db2.gz UMEZDZZJATUGEL-GOEBONIOSA-N 1 2 330.384 0.862 20 30 ECEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC000972554438 736733941 /nfs/dbraw/zinc/73/39/41/736733941.db2.gz HOVLQLPWRDCYBR-LBPRGKRZSA-N 1 2 340.811 0.212 20 30 ECEDLO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC000972554438 736733943 /nfs/dbraw/zinc/73/39/43/736733943.db2.gz HOVLQLPWRDCYBR-LBPRGKRZSA-N 1 2 340.811 0.212 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cn(C)nn3)C2)c1 ZINC001023583585 737040002 /nfs/dbraw/zinc/04/00/02/737040002.db2.gz JICHAOLPVBRCOS-OAHLLOKOSA-N 1 2 338.415 0.833 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+](Cc3cn(C)nn3)C2)c1 ZINC001023583585 737040006 /nfs/dbraw/zinc/04/00/06/737040006.db2.gz JICHAOLPVBRCOS-OAHLLOKOSA-N 1 2 338.415 0.833 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ncnn2C)C1 ZINC001023599664 737059011 /nfs/dbraw/zinc/05/90/11/737059011.db2.gz QGAZYXRKEVVAMB-ZNMIVQPWSA-N 1 2 333.436 0.734 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2ncnn2C)C1 ZINC001023599664 737059016 /nfs/dbraw/zinc/05/90/16/737059016.db2.gz QGAZYXRKEVVAMB-ZNMIVQPWSA-N 1 2 333.436 0.734 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC(=O)N3C)C2)C1 ZINC000972659587 737270715 /nfs/dbraw/zinc/27/07/15/737270715.db2.gz OFIHTSFBZLGRSV-YJBOKZPZSA-N 1 2 333.432 0.324 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC(=O)N3C)C2)C1 ZINC000972659587 737270717 /nfs/dbraw/zinc/27/07/17/737270717.db2.gz OFIHTSFBZLGRSV-YJBOKZPZSA-N 1 2 333.432 0.324 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3cnn(C)c3)C2)C1 ZINC000972701604 737471630 /nfs/dbraw/zinc/47/16/30/737471630.db2.gz DFYWLTRLEXPEBL-YJBOKZPZSA-N 1 2 330.432 0.850 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3cnn(C)c3)C2)C1 ZINC000972701604 737471632 /nfs/dbraw/zinc/47/16/32/737471632.db2.gz DFYWLTRLEXPEBL-YJBOKZPZSA-N 1 2 330.432 0.850 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(CC)n(C)n3)C2)C1 ZINC000972703267 737488127 /nfs/dbraw/zinc/48/81/27/737488127.db2.gz OQLTUDIULWBCPL-GOSISDBHSA-N 1 2 330.432 0.923 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(CC)n(C)n3)C2)C1 ZINC000972703267 737488129 /nfs/dbraw/zinc/48/81/29/737488129.db2.gz OQLTUDIULWBCPL-GOSISDBHSA-N 1 2 330.432 0.923 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccc(=O)[nH]c3)C2)nn1 ZINC001105283472 741641835 /nfs/dbraw/zinc/64/18/35/741641835.db2.gz PKMAYNHRHZMHBG-UHFFFAOYSA-N 1 2 340.387 0.118 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N1C[C@H]2CCN(C(=O)[C@@H](C)C#N)C[C@H]21 ZINC000972856312 737777712 /nfs/dbraw/zinc/77/77/12/737777712.db2.gz MGCBHLQGFYGMNE-GZBFAFLISA-N 1 2 342.399 0.852 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3ccc4c(c3)OCCO4)[C@H]2C1 ZINC001083267045 738073599 /nfs/dbraw/zinc/07/35/99/738073599.db2.gz GJUYXAUBFRVRMT-MAUKXSAKSA-N 1 2 342.395 0.545 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3ccc4c(c3)OCCO4)[C@H]2C1 ZINC001083267045 738073603 /nfs/dbraw/zinc/07/36/03/738073603.db2.gz GJUYXAUBFRVRMT-MAUKXSAKSA-N 1 2 342.395 0.545 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N(CCO)CCNc1nc(C)ccc1C#N ZINC001111492646 738125677 /nfs/dbraw/zinc/12/56/77/738125677.db2.gz JODOVKOFRAVUFU-UHFFFAOYSA-N 1 2 342.403 0.769 20 30 ECEDLO C#CCOc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(N)=O)cc1 ZINC001024694179 738226836 /nfs/dbraw/zinc/22/68/36/738226836.db2.gz DOVIWPPDQUDYHJ-HNNXBMFYSA-N 1 2 329.400 0.768 20 30 ECEDLO C#CCOc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(N)=O)cc1 ZINC001024694179 738226839 /nfs/dbraw/zinc/22/68/39/738226839.db2.gz DOVIWPPDQUDYHJ-HNNXBMFYSA-N 1 2 329.400 0.768 20 30 ECEDLO CN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)s2)CC1=O ZINC001038311919 738234767 /nfs/dbraw/zinc/23/47/67/738234767.db2.gz QHMIGLBLPSRWII-NEPJUHHUSA-N 1 2 332.429 0.789 20 30 ECEDLO CN1C[C@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)CC1=O ZINC001038311919 738234768 /nfs/dbraw/zinc/23/47/68/738234768.db2.gz QHMIGLBLPSRWII-NEPJUHHUSA-N 1 2 332.429 0.789 20 30 ECEDLO C=CCOc1cccnc1C(=O)NC[C@H]1CCCC[N@H+]1CC(N)=O ZINC001024749624 738267113 /nfs/dbraw/zinc/26/71/13/738267113.db2.gz AHWUQZOYOIQKGF-CYBMUJFWSA-N 1 2 332.404 0.716 20 30 ECEDLO C=CCOc1cccnc1C(=O)NC[C@H]1CCCC[N@@H+]1CC(N)=O ZINC001024749624 738267115 /nfs/dbraw/zinc/26/71/15/738267115.db2.gz AHWUQZOYOIQKGF-CYBMUJFWSA-N 1 2 332.404 0.716 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cnnn2C)cn1 ZINC001024769542 738277587 /nfs/dbraw/zinc/27/75/87/738277587.db2.gz ITSFYTIUMKAPAC-MRXNPFEDSA-N 1 2 338.415 0.976 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cnnn2C)cn1 ZINC001024769542 738277590 /nfs/dbraw/zinc/27/75/90/738277590.db2.gz ITSFYTIUMKAPAC-MRXNPFEDSA-N 1 2 338.415 0.976 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NC2CC2)nn1 ZINC001028192333 751432142 /nfs/dbraw/zinc/43/21/42/751432142.db2.gz KPTAMBPTDHYANU-AWEZNQCLSA-N 1 2 346.435 0.327 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NC2CC2)nn1 ZINC001028192333 751432149 /nfs/dbraw/zinc/43/21/49/751432149.db2.gz KPTAMBPTDHYANU-AWEZNQCLSA-N 1 2 346.435 0.327 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)c1 ZINC000973488535 739386680 /nfs/dbraw/zinc/38/66/80/739386680.db2.gz ISYBLBZXBBRRTM-SHTZXODSSA-N 1 2 337.383 0.714 20 30 ECEDLO C[C@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001104729990 739545016 /nfs/dbraw/zinc/54/50/16/739545016.db2.gz OKOZMIBAFWTIOF-CHWSQXEVSA-N 1 2 339.403 0.488 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnc(C)cn3)C2)nn1 ZINC001098604371 739947261 /nfs/dbraw/zinc/94/72/61/739947261.db2.gz NGZLRJUPKIEDNM-CQSZACIVSA-N 1 2 325.376 0.187 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001025937400 740265419 /nfs/dbraw/zinc/26/54/19/740265419.db2.gz MFGQYGFSHIAMHJ-LVEVGFFFSA-N 1 2 342.237 0.453 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001025937400 740265421 /nfs/dbraw/zinc/26/54/21/740265421.db2.gz MFGQYGFSHIAMHJ-LVEVGFFFSA-N 1 2 342.237 0.453 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(N(C)C(C)=O)cc3)[C@H]2C1 ZINC001083288010 740293040 /nfs/dbraw/zinc/29/30/40/740293040.db2.gz JOUAZJMGCAGQIT-ZWKOTPCHSA-N 1 2 341.411 0.828 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(N(C)C(C)=O)cc3)[C@H]2C1 ZINC001083288010 740293041 /nfs/dbraw/zinc/29/30/41/740293041.db2.gz JOUAZJMGCAGQIT-ZWKOTPCHSA-N 1 2 341.411 0.828 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C2)nn1 ZINC001098607682 740519175 /nfs/dbraw/zinc/51/91/75/740519175.db2.gz COHXLLOUSWCQSD-INIZCTEOSA-N 1 2 340.387 0.112 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4ccnn4)c3)[C@H]2C1 ZINC001083291910 740549607 /nfs/dbraw/zinc/54/96/07/740549607.db2.gz FNZOPPLTGYUQJI-DLBZAZTESA-N 1 2 337.383 0.426 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4ccnn4)c3)[C@H]2C1 ZINC001083291910 740549610 /nfs/dbraw/zinc/54/96/10/740549610.db2.gz FNZOPPLTGYUQJI-DLBZAZTESA-N 1 2 337.383 0.426 20 30 ECEDLO C#CC[N@H+]1CCCC2(CN(C(=O)C[C@H]3CCCS(=O)(=O)C3)C2)C1 ZINC000982104243 751593118 /nfs/dbraw/zinc/59/31/18/751593118.db2.gz GLZXQCZFJUXHKK-OAHLLOKOSA-N 1 2 338.473 0.759 20 30 ECEDLO C#CC[N@@H+]1CCCC2(CN(C(=O)C[C@H]3CCCS(=O)(=O)C3)C2)C1 ZINC000982104243 751593123 /nfs/dbraw/zinc/59/31/23/751593123.db2.gz GLZXQCZFJUXHKK-OAHLLOKOSA-N 1 2 338.473 0.759 20 30 ECEDLO C#CCOc1ccc(C(=O)N2CCC[N@@H+]([C@@H](C)C(=O)NC)CC2)cc1 ZINC000982110974 751604586 /nfs/dbraw/zinc/60/45/86/751604586.db2.gz JKKWJDWAVKXEEY-HNNXBMFYSA-N 1 2 343.427 0.981 20 30 ECEDLO C#CCOc1ccc(C(=O)N2CCC[N@H+]([C@@H](C)C(=O)NC)CC2)cc1 ZINC000982110974 751604591 /nfs/dbraw/zinc/60/45/91/751604591.db2.gz JKKWJDWAVKXEEY-HNNXBMFYSA-N 1 2 343.427 0.981 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCCN(Cc3c[nH+]cn3C)CC2)nn1 ZINC000982143271 751639654 /nfs/dbraw/zinc/63/96/54/751639654.db2.gz RHMTXVCFKASICI-UHFFFAOYSA-N 1 2 343.435 0.936 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[N@@H+](Cc3cncn3C)CC2)nn1 ZINC000982143271 751639661 /nfs/dbraw/zinc/63/96/61/751639661.db2.gz RHMTXVCFKASICI-UHFFFAOYSA-N 1 2 343.435 0.936 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[N@H+](Cc3cncn3C)CC2)nn1 ZINC000982143271 751639664 /nfs/dbraw/zinc/63/96/64/751639664.db2.gz RHMTXVCFKASICI-UHFFFAOYSA-N 1 2 343.435 0.936 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](OCC)C3CC3)C2)nn1 ZINC001105243119 741543917 /nfs/dbraw/zinc/54/39/17/741543917.db2.gz WNXJRTJCBMZISI-MRXNPFEDSA-N 1 2 331.420 0.589 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](OCC)C3CC3)C2)nn1 ZINC001105243118 741544021 /nfs/dbraw/zinc/54/40/21/741544021.db2.gz WNXJRTJCBMZISI-INIZCTEOSA-N 1 2 331.420 0.589 20 30 ECEDLO C=C(C)CCC(=O)N1CC(n2cc(C[NH2+][C@@H]3CCN(C)C3=O)nn2)C1 ZINC001105254313 741568049 /nfs/dbraw/zinc/56/80/49/741568049.db2.gz UESXSPSZEAPRLU-OAHLLOKOSA-N 1 2 346.435 0.338 20 30 ECEDLO C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)nn1 ZINC001105264408 741595538 /nfs/dbraw/zinc/59/55/38/741595538.db2.gz HSVXZUAXNWNSPB-HUUCEWRRSA-N 1 2 339.403 0.301 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H](C)c3ccncc3)C2)nn1 ZINC001105268374 741610034 /nfs/dbraw/zinc/61/00/34/741610034.db2.gz LJXVZVJTNMGHOT-CQSZACIVSA-N 1 2 338.415 0.973 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cn4cc(C)ccc4n3)C2)nn1 ZINC001105268520 741611407 /nfs/dbraw/zinc/61/14/07/741611407.db2.gz RAXXMYIKZGICRC-UHFFFAOYSA-N 1 2 349.398 0.654 20 30 ECEDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)C1(O)CCOCC1 ZINC000330028767 741618939 /nfs/dbraw/zinc/61/89/39/741618939.db2.gz PDOYDNTXBVZNSJ-CQSZACIVSA-N 1 2 330.450 0.692 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CCC(C)(C)CO3)C2)nn1 ZINC001105285059 741644489 /nfs/dbraw/zinc/64/44/89/741644489.db2.gz BMPNUKKCAOBEOT-INIZCTEOSA-N 1 2 345.447 0.980 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(=O)NC)nn2)C1 ZINC001105296908 741674083 /nfs/dbraw/zinc/67/40/83/741674083.db2.gz BZXFOIMESLFVIU-NSHDSACASA-N 1 2 334.424 0.098 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3ccc(=O)[nH]c3)C2)nn1 ZINC001105312304 741720532 /nfs/dbraw/zinc/72/05/32/741720532.db2.gz JTIWRRUVNHGHKV-UHFFFAOYSA-N 1 2 340.387 0.118 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)c3cncnc3)C2)nn1 ZINC001105312067 741721123 /nfs/dbraw/zinc/72/11/23/741721123.db2.gz AJJINDGWOUGTAX-CYBMUJFWSA-N 1 2 339.403 0.368 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](C[NH2+]Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001026733098 741736232 /nfs/dbraw/zinc/73/62/32/741736232.db2.gz RKEOEPZZDFKLPH-RYUDHWBXSA-N 1 2 328.376 0.120 20 30 ECEDLO C=CCCCC(=O)N1CC(n2cc(C[NH2+][C@H]3CCN(C)C3=O)nn2)C1 ZINC001105317112 741751453 /nfs/dbraw/zinc/75/14/53/741751453.db2.gz JAAWLTFCANSJEA-HNNXBMFYSA-N 1 2 346.435 0.338 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](OC)C(C)C)C2)nn1 ZINC001105318545 741763093 /nfs/dbraw/zinc/76/30/93/741763093.db2.gz DSKMYSYSZGEEKR-MRXNPFEDSA-N 1 2 349.435 0.072 20 30 ECEDLO C=CCC1(C(=O)N2CC(n3cc(C[NH2+]CC(=O)NC)nn3)C2)CCC1 ZINC001105322474 741781423 /nfs/dbraw/zinc/78/14/23/741781423.db2.gz RHYOOKGVSFCEJH-UHFFFAOYSA-N 1 2 346.435 0.243 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3conc3C3CC3)C2)nn1 ZINC001105326707 741809031 /nfs/dbraw/zinc/80/90/31/741809031.db2.gz CNMASSZVEJAPIP-UHFFFAOYSA-N 1 2 326.360 0.563 20 30 ECEDLO C=CCC1(C(=O)N(CCO)CCNC(=O)Cc2[nH]c[nH+]c2C)CCC1 ZINC001058734021 741851522 /nfs/dbraw/zinc/85/15/22/741851522.db2.gz YLGHCVVRPLUIKN-UHFFFAOYSA-N 1 2 348.447 0.944 20 30 ECEDLO C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCCS2(=O)=O)C(C)(C)C1 ZINC000974660886 741968281 /nfs/dbraw/zinc/96/82/81/741968281.db2.gz FLWOXINTJSZBKP-KBPBESRZSA-N 1 2 326.462 0.804 20 30 ECEDLO C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCCS2(=O)=O)C(C)(C)C1 ZINC000974660886 741968284 /nfs/dbraw/zinc/96/82/84/741968284.db2.gz FLWOXINTJSZBKP-KBPBESRZSA-N 1 2 326.462 0.804 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnsn2)CC1(C)C ZINC000974687558 742005295 /nfs/dbraw/zinc/00/52/95/742005295.db2.gz UXICFWLLWCPSDZ-LSDHHAIUSA-N 1 2 347.488 0.962 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnsn2)CC1(C)C ZINC000974687558 742005299 /nfs/dbraw/zinc/00/52/99/742005299.db2.gz UXICFWLLWCPSDZ-LSDHHAIUSA-N 1 2 347.488 0.962 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(=O)NC)nn2)C1 ZINC001105334303 742089823 /nfs/dbraw/zinc/08/98/23/742089823.db2.gz BBRXMMOHZRWDCI-LBPRGKRZSA-N 1 2 348.451 0.488 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC(n2cc(C[NH2+][C@H](CC)C(N)=O)nn2)C1 ZINC001105335373 742136366 /nfs/dbraw/zinc/13/63/66/742136366.db2.gz YJSDKYLDDMNMFL-CQSZACIVSA-N 1 2 348.451 0.617 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CO[C@@H]3CCC[C@H](C)C3)C2)nn1 ZINC001105337201 742440919 /nfs/dbraw/zinc/44/09/19/742440919.db2.gz VSNHAEGUNBFSJD-WMLDXEAASA-N 1 2 345.447 0.980 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@]2(C)C[N@H+](Cc3nnnn3C3CC3)C[C@]2(C)C1 ZINC000982237135 751747674 /nfs/dbraw/zinc/74/76/74/751747674.db2.gz WUAWWAGVWLCAHA-AFAVFJNCSA-N 1 2 343.435 0.838 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@]2(C)C[N@@H+](Cc3nnnn3C3CC3)C[C@]2(C)C1 ZINC000982237135 751747678 /nfs/dbraw/zinc/74/76/78/751747678.db2.gz WUAWWAGVWLCAHA-AFAVFJNCSA-N 1 2 343.435 0.838 20 30 ECEDLO N#Cc1cc(C(=O)N2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)c[nH]1 ZINC000975416574 742824526 /nfs/dbraw/zinc/82/45/26/742824526.db2.gz HSRJUAJXOZHQGQ-IAQYHMDHSA-N 1 2 338.371 0.525 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N[C@H]1CCN(C(=O)[C@H](C)C#N)[C@H]1C ZINC001020536736 751773054 /nfs/dbraw/zinc/77/30/54/751773054.db2.gz BECPSHPSWXYCPO-DYEKYZERSA-N 1 2 330.388 0.898 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cccc(C)n2)C1 ZINC001149183072 743046853 /nfs/dbraw/zinc/04/68/53/743046853.db2.gz WVJBSNPQBFDUEG-HNNXBMFYSA-N 1 2 346.431 0.513 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2cccc(C)n2)C1 ZINC001149183072 743046864 /nfs/dbraw/zinc/04/68/64/743046864.db2.gz WVJBSNPQBFDUEG-HNNXBMFYSA-N 1 2 346.431 0.513 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001149139283 743226381 /nfs/dbraw/zinc/22/63/81/743226381.db2.gz YTDAJYPPOQCCKG-LSDHHAIUSA-N 1 2 334.420 0.190 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001149139283 743226389 /nfs/dbraw/zinc/22/63/89/743226389.db2.gz YTDAJYPPOQCCKG-LSDHHAIUSA-N 1 2 334.420 0.190 20 30 ECEDLO C#CCOCCC(=O)NCC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001059867056 751825294 /nfs/dbraw/zinc/82/52/94/751825294.db2.gz JAKBETCELPOECI-OAHLLOKOSA-N 1 2 332.404 0.278 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](OC)C3CCC3)C2)nn1 ZINC001098694718 743470306 /nfs/dbraw/zinc/47/03/06/743470306.db2.gz HMMMKZTYDKKMQY-IAGOWNOFSA-N 1 2 345.447 0.980 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)[nH]1 ZINC000983575482 743482246 /nfs/dbraw/zinc/48/22/46/743482246.db2.gz DTWNONBFCYXVJF-QWHCGFSZSA-N 1 2 340.387 0.940 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@H]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)[nH]1 ZINC000983575476 743482326 /nfs/dbraw/zinc/48/23/26/743482326.db2.gz DTWNONBFCYXVJF-OLZOCXBDSA-N 1 2 340.387 0.940 20 30 ECEDLO Cn1cnnc1C[N@@H+]1C[C@@]2(C)CN(C(=O)C#CC3CC3)C[C@@]2(C)C1 ZINC000982278484 751849058 /nfs/dbraw/zinc/84/90/58/751849058.db2.gz FRGCYMNUQMKNRH-HDICACEKSA-N 1 2 327.432 0.899 20 30 ECEDLO Cn1cnnc1C[N@H+]1C[C@@]2(C)CN(C(=O)C#CC3CC3)C[C@@]2(C)C1 ZINC000982278484 751849066 /nfs/dbraw/zinc/84/90/66/751849066.db2.gz FRGCYMNUQMKNRH-HDICACEKSA-N 1 2 327.432 0.899 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cncnc3C)C2)C1=O ZINC001006811998 751861453 /nfs/dbraw/zinc/86/14/53/751861453.db2.gz ADUWCKJEUMMYKJ-GOEBONIOSA-N 1 2 343.431 0.766 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cncnc3C)C2)C1=O ZINC001006811998 751861459 /nfs/dbraw/zinc/86/14/59/751861459.db2.gz ADUWCKJEUMMYKJ-GOEBONIOSA-N 1 2 343.431 0.766 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnsn2)CC1 ZINC000997830974 743842020 /nfs/dbraw/zinc/84/20/20/743842020.db2.gz FNUVCINMCMVTHI-INIZCTEOSA-N 1 2 347.488 0.964 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC001020599843 751883061 /nfs/dbraw/zinc/88/30/61/751883061.db2.gz VOVBRJAOEOLFHB-XGUBFFRZSA-N 1 2 332.404 0.580 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000976730983 744254297 /nfs/dbraw/zinc/25/42/97/744254297.db2.gz UZBRZEAZIDMJFX-OIPACUDHSA-N 1 2 338.411 0.432 20 30 ECEDLO C=CCOc1cccnc1C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NC ZINC001028251296 751926193 /nfs/dbraw/zinc/92/61/93/751926193.db2.gz ZDJKXTNPDSXVLP-ZDUSSCGKSA-N 1 2 332.404 0.587 20 30 ECEDLO C=CCOc1cccnc1C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NC ZINC001028251296 751926197 /nfs/dbraw/zinc/92/61/97/751926197.db2.gz ZDJKXTNPDSXVLP-ZDUSSCGKSA-N 1 2 332.404 0.587 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2[C@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@H]32)c1 ZINC000977162322 744714816 /nfs/dbraw/zinc/71/48/16/744714816.db2.gz UHVXLECIBCSGFU-VQFNDLOPSA-N 1 2 349.394 0.226 20 30 ECEDLO Cn1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)c1 ZINC001083406356 744977037 /nfs/dbraw/zinc/97/70/37/744977037.db2.gz CGRGKKIJRUZNEW-CABCVRRESA-N 1 2 330.413 0.933 20 30 ECEDLO Cn1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)c1 ZINC001083406356 744977039 /nfs/dbraw/zinc/97/70/39/744977039.db2.gz CGRGKKIJRUZNEW-CABCVRRESA-N 1 2 330.413 0.933 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1C[N@@H+]([C@H](C)C(N)=O)CC1(C)C ZINC000977512439 745131953 /nfs/dbraw/zinc/13/19/53/745131953.db2.gz JUEPRMCCAXGPEO-OCCSQVGLSA-N 1 2 344.415 0.408 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1C[N@H+]([C@H](C)C(N)=O)CC1(C)C ZINC000977512439 745131956 /nfs/dbraw/zinc/13/19/56/745131956.db2.gz JUEPRMCCAXGPEO-OCCSQVGLSA-N 1 2 344.415 0.408 20 30 ECEDLO CN(C[C@H]1CCN1C(=O)CCn1cc[nH+]c1)C(=O)c1cc(C#N)c[nH]1 ZINC000977526483 745145605 /nfs/dbraw/zinc/14/56/05/745145605.db2.gz GJPKVTILRGKJEH-CQSZACIVSA-N 1 2 340.387 0.846 20 30 ECEDLO N#CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)nn2)C1 ZINC000999998373 745159286 /nfs/dbraw/zinc/15/92/86/745159286.db2.gz RIQJVORXMCOYPY-MGPQQGTHSA-N 1 2 340.391 0.191 20 30 ECEDLO N#CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)nn2)C1 ZINC000999998373 745159290 /nfs/dbraw/zinc/15/92/90/745159290.db2.gz RIQJVORXMCOYPY-MGPQQGTHSA-N 1 2 340.391 0.191 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001000004920 745171316 /nfs/dbraw/zinc/17/13/16/745171316.db2.gz ZVCKFUOHQKOPRU-CHWSQXEVSA-N 1 2 338.371 0.364 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)cn1 ZINC001000007836 745176232 /nfs/dbraw/zinc/17/62/32/745176232.db2.gz HTIXGYLBSZZPIF-HZPDHXFCSA-N 1 2 349.394 0.541 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)n(C)n2)[C@H](OC)C1 ZINC001213145309 751993962 /nfs/dbraw/zinc/99/39/62/751993962.db2.gz MMUJWWRXHFRVCA-CHWSQXEVSA-N 1 2 340.811 0.152 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2cc(Cl)n(C)n2)[C@H](OC)C1 ZINC001213145309 751993968 /nfs/dbraw/zinc/99/39/68/751993968.db2.gz MMUJWWRXHFRVCA-CHWSQXEVSA-N 1 2 340.811 0.152 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1cc[nH+]c1 ZINC001000571240 745606257 /nfs/dbraw/zinc/60/62/57/745606257.db2.gz SMSBFOCNOYRKRZ-OWYFMNJBSA-N 1 2 344.415 0.722 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3c(C)cnn3C)C2)nn1 ZINC001098700577 745622816 /nfs/dbraw/zinc/62/28/16/745622816.db2.gz PMIADROPLYZCMT-CQSZACIVSA-N 1 2 327.392 0.130 20 30 ECEDLO CN(C[C@@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000977912162 745664734 /nfs/dbraw/zinc/66/47/34/745664734.db2.gz XUESMBDFMLZFAV-CVEARBPZSA-N 1 2 340.427 0.918 20 30 ECEDLO COCCN(CCNC(=O)Cc1c[nH]c[nH+]1)c1ccc(C#N)nc1 ZINC001126523754 745729788 /nfs/dbraw/zinc/72/97/88/745729788.db2.gz PDTOAJRLHSNVQZ-UHFFFAOYSA-N 1 2 328.376 0.488 20 30 ECEDLO C#CCOc1ncccc1C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NC ZINC001028270945 752028046 /nfs/dbraw/zinc/02/80/46/752028046.db2.gz WOWYORKVYWDKAA-ZDUSSCGKSA-N 1 2 330.388 0.034 20 30 ECEDLO C#CCOc1ncccc1C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NC ZINC001028270945 752028051 /nfs/dbraw/zinc/02/80/51/752028051.db2.gz WOWYORKVYWDKAA-ZDUSSCGKSA-N 1 2 330.388 0.034 20 30 ECEDLO CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC000982351894 752031228 /nfs/dbraw/zinc/03/12/28/752031228.db2.gz DCASNVPEFKIHCN-OIISXLGYSA-N 1 2 338.473 0.615 20 30 ECEDLO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCS(=O)(=O)C3)C[C@@]2(C)C1 ZINC000982351894 752031236 /nfs/dbraw/zinc/03/12/36/752031236.db2.gz DCASNVPEFKIHCN-OIISXLGYSA-N 1 2 338.473 0.615 20 30 ECEDLO N#Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C3)c[nH]1 ZINC001000886920 745864838 /nfs/dbraw/zinc/86/48/38/745864838.db2.gz PSADHWZNTQCMES-ILXRZTDVSA-N 1 2 338.371 0.714 20 30 ECEDLO CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000984181920 745996801 /nfs/dbraw/zinc/99/68/01/745996801.db2.gz BXOMCFSKNYUHIN-OAHLLOKOSA-N 1 2 328.416 0.825 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@H]([N@@H+](C)Cc3nccn3C)C2)nn1 ZINC001027606408 746130897 /nfs/dbraw/zinc/13/08/97/746130897.db2.gz FHKGLPBOUIVBCE-AWEZNQCLSA-N 1 2 343.435 0.934 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@H]([N@H+](C)Cc3nccn3C)C2)nn1 ZINC001027606408 746130900 /nfs/dbraw/zinc/13/09/00/746130900.db2.gz FHKGLPBOUIVBCE-AWEZNQCLSA-N 1 2 343.435 0.934 20 30 ECEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC001001254143 746212697 /nfs/dbraw/zinc/21/26/97/746212697.db2.gz ILJIAVVPSNGASZ-ZDUSSCGKSA-N 1 2 347.868 0.521 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCN(C)S2(=O)=O)CC1 ZINC001001254143 746212701 /nfs/dbraw/zinc/21/27/01/746212701.db2.gz ILJIAVVPSNGASZ-ZDUSSCGKSA-N 1 2 347.868 0.521 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnc(C)n3C)C2)nn1 ZINC001098705435 746264802 /nfs/dbraw/zinc/26/48/02/746264802.db2.gz FBXANVJOZNBMOU-CQSZACIVSA-N 1 2 327.392 0.130 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001001356274 746303381 /nfs/dbraw/zinc/30/33/81/746303381.db2.gz DNJYOBSQWKYJSJ-NSHDSACASA-N 1 2 340.387 0.676 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001001356274 746303386 /nfs/dbraw/zinc/30/33/86/746303386.db2.gz DNJYOBSQWKYJSJ-NSHDSACASA-N 1 2 340.387 0.676 20 30 ECEDLO CN(C[C@H]1CCN1C(=O)C#CC1CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000978424968 746325305 /nfs/dbraw/zinc/32/53/05/746325305.db2.gz JCSLJANRTMVNGP-BZUAXINKSA-N 1 2 340.427 0.996 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC[C@@H](n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001098705806 746329953 /nfs/dbraw/zinc/32/99/53/746329953.db2.gz KKDYYHKSMVGGEQ-DZGCQCFKSA-N 1 2 348.451 0.489 20 30 ECEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001001444529 746381969 /nfs/dbraw/zinc/38/19/69/746381969.db2.gz VIIILNQTOCRVEB-UHFFFAOYSA-N 1 2 338.795 0.600 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001001444529 746381975 /nfs/dbraw/zinc/38/19/75/746381975.db2.gz VIIILNQTOCRVEB-UHFFFAOYSA-N 1 2 338.795 0.600 20 30 ECEDLO N#CCN1CCC(CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001001682442 746596170 /nfs/dbraw/zinc/59/61/70/746596170.db2.gz AOQQWZMNMOICRM-QGZVFWFLSA-N 1 2 334.464 0.839 20 30 ECEDLO N#CCN1CCC(CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001001682442 746596172 /nfs/dbraw/zinc/59/61/72/746596172.db2.gz AOQQWZMNMOICRM-QGZVFWFLSA-N 1 2 334.464 0.839 20 30 ECEDLO COc1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)on1 ZINC001083419773 746656754 /nfs/dbraw/zinc/65/67/54/746656754.db2.gz WXXDVYWAPLQSCF-KGLIPLIRSA-N 1 2 342.355 0.530 20 30 ECEDLO COc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)on1 ZINC001083419773 746656758 /nfs/dbraw/zinc/65/67/58/746656758.db2.gz WXXDVYWAPLQSCF-KGLIPLIRSA-N 1 2 342.355 0.530 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3conc3C)C2)nn1 ZINC001098710293 746661022 /nfs/dbraw/zinc/66/10/22/746661022.db2.gz BVGWXNIDDZJVTE-CQSZACIVSA-N 1 2 328.376 0.775 20 30 ECEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N2CCOCC2)C1 ZINC001029466257 746692920 /nfs/dbraw/zinc/69/29/20/746692920.db2.gz JCBYVSWORZVMLV-IYBDPMFKSA-N 1 2 347.459 0.877 20 30 ECEDLO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N2CCOCC2)C1 ZINC001029466257 746692923 /nfs/dbraw/zinc/69/29/23/746692923.db2.gz JCBYVSWORZVMLV-IYBDPMFKSA-N 1 2 347.459 0.877 20 30 ECEDLO COCCN(CCNC(=O)CCc1c[nH]c[nH+]1)c1nccnc1C#N ZINC001126561135 746702848 /nfs/dbraw/zinc/70/28/48/746702848.db2.gz COBGVWUPBDPYCZ-UHFFFAOYSA-N 1 2 343.391 0.273 20 30 ECEDLO COCCN(CCNC(=O)CCc1c[nH+]c[nH]1)c1nccnc1C#N ZINC001126561135 746702853 /nfs/dbraw/zinc/70/28/53/746702853.db2.gz COBGVWUPBDPYCZ-UHFFFAOYSA-N 1 2 343.391 0.273 20 30 ECEDLO COCCN(CCNC(=O)CCc1c[nH]c[nH+]1)c1ccc(C#N)nn1 ZINC001126561533 746717989 /nfs/dbraw/zinc/71/79/89/746717989.db2.gz JOFZPRXJBXFHFB-UHFFFAOYSA-N 1 2 343.391 0.273 20 30 ECEDLO COCCN(CCNC(=O)CCc1c[nH+]c[nH]1)c1ccc(C#N)nn1 ZINC001126561533 746717993 /nfs/dbraw/zinc/71/79/93/746717993.db2.gz JOFZPRXJBXFHFB-UHFFFAOYSA-N 1 2 343.391 0.273 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nc(C)no4)C[C@H]32)nn1 ZINC000978819069 746746648 /nfs/dbraw/zinc/74/66/48/746746648.db2.gz QQOJATPGNONOEU-XYYAHUGASA-N 1 2 343.391 0.263 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nc(C)no4)C[C@H]32)nn1 ZINC000978819069 746746653 /nfs/dbraw/zinc/74/66/53/746746653.db2.gz QQOJATPGNONOEU-XYYAHUGASA-N 1 2 343.391 0.263 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)nn1 ZINC000978836403 746781915 /nfs/dbraw/zinc/78/19/15/746781915.db2.gz ZICMTXOBVKFJFC-TXEJJXNPSA-N 1 2 343.391 0.055 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2[nH]cc[nH+]2)c1 ZINC001001897191 746792748 /nfs/dbraw/zinc/79/27/48/746792748.db2.gz JVOQOIMWCLVIHQ-BZPMIXESSA-N 1 2 338.371 0.714 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3c(C)coc3C)[C@@H](O)C2)C1=O ZINC001083440544 752151278 /nfs/dbraw/zinc/15/12/78/752151278.db2.gz XDZZQWRQBKBTJP-ILXRZTDVSA-N 1 2 347.415 0.458 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3c(C)coc3C)[C@@H](O)C2)C1=O ZINC001083440544 752151284 /nfs/dbraw/zinc/15/12/84/752151284.db2.gz XDZZQWRQBKBTJP-ILXRZTDVSA-N 1 2 347.415 0.458 20 30 ECEDLO N#CCN1CC[C@@H]2CN(C(=O)[C@H]3COCC[N@@H+]3CC3CCC3)C[C@@H]2C1 ZINC001088053118 747159588 /nfs/dbraw/zinc/15/95/88/747159588.db2.gz VJAGXNIWZHFTSU-FGTMMUONSA-N 1 2 346.475 0.791 20 30 ECEDLO N#CCN1CC[C@@H]2CN(C(=O)[C@H]3COCC[N@H+]3CC3CCC3)C[C@@H]2C1 ZINC001088053118 747159590 /nfs/dbraw/zinc/15/95/90/747159590.db2.gz VJAGXNIWZHFTSU-FGTMMUONSA-N 1 2 346.475 0.791 20 30 ECEDLO Cc1cc(C#N)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2c[nH+]c[nH]2)n1 ZINC001058806429 747276509 /nfs/dbraw/zinc/27/65/09/747276509.db2.gz ABJNUODENPEMGH-GASCZTMLSA-N 1 2 337.387 0.802 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001002409337 747311809 /nfs/dbraw/zinc/31/18/09/747311809.db2.gz NIEKCTKOQRRDEI-ABAIWWIYSA-N 1 2 344.419 0.524 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001002409337 747311814 /nfs/dbraw/zinc/31/18/14/747311814.db2.gz NIEKCTKOQRRDEI-ABAIWWIYSA-N 1 2 344.419 0.524 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CNC(=O)c2snnc2C)C1=O ZINC001027746865 747360308 /nfs/dbraw/zinc/36/03/08/747360308.db2.gz FJTGBAAMOIHZNW-OLZOCXBDSA-N 1 2 349.460 0.828 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CNC(=O)c2snnc2C)C1=O ZINC001027746865 747360317 /nfs/dbraw/zinc/36/03/17/747360317.db2.gz FJTGBAAMOIHZNW-OLZOCXBDSA-N 1 2 349.460 0.828 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@]2(C)C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@]2(C)C1 ZINC000982428172 752174176 /nfs/dbraw/zinc/17/41/76/752174176.db2.gz FNCRRZDDRCWGGE-HDICACEKSA-N 1 2 347.463 0.991 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@]2(C)C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@]2(C)C1 ZINC000982428172 752174178 /nfs/dbraw/zinc/17/41/78/752174178.db2.gz FNCRRZDDRCWGGE-HDICACEKSA-N 1 2 347.463 0.991 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nnnn3C)CC[C@@H]2C1 ZINC001088112545 747412402 /nfs/dbraw/zinc/41/24/02/747412402.db2.gz LKYCDTSBQPWFRO-BARDWOONSA-N 1 2 346.435 0.082 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nnnn3C)CC[C@@H]2C1 ZINC001088112545 747412405 /nfs/dbraw/zinc/41/24/05/747412405.db2.gz LKYCDTSBQPWFRO-BARDWOONSA-N 1 2 346.435 0.082 20 30 ECEDLO Cc1noc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)n1 ZINC000979262066 747487443 /nfs/dbraw/zinc/48/74/43/747487443.db2.gz CFQICSIEJDJOQK-IINYFYTJSA-N 1 2 344.375 0.597 20 30 ECEDLO C[C@H]([NH2+]Cc1csnn1)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000979285307 747534601 /nfs/dbraw/zinc/53/46/01/747534601.db2.gz BTGPAQSESIJRTP-IINYFYTJSA-N 1 2 346.416 0.757 20 30 ECEDLO CCc1noc(C[NH2+][C@H](C)[C@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC000979320323 747605201 /nfs/dbraw/zinc/60/52/01/747605201.db2.gz SQCMADWOPCZBGL-TZMCWYRMSA-N 1 2 332.404 0.751 20 30 ECEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2cn(C)nn2)CC1 ZINC001002722026 747698880 /nfs/dbraw/zinc/69/88/80/747698880.db2.gz DMZKQAHCYKRLCF-UHFFFAOYSA-N 1 2 328.214 0.918 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3nccc(C)n3)C2)C1=O ZINC001007235633 752214045 /nfs/dbraw/zinc/21/40/45/752214045.db2.gz OOASSIIKUYCGOJ-LSDHHAIUSA-N 1 2 343.431 0.766 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3nccc(C)n3)C2)C1=O ZINC001007235633 752214049 /nfs/dbraw/zinc/21/40/49/752214049.db2.gz OOASSIIKUYCGOJ-LSDHHAIUSA-N 1 2 343.431 0.766 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ncccc2O)C1 ZINC001002830064 747846668 /nfs/dbraw/zinc/84/66/68/747846668.db2.gz QFFIGJATYJNARW-AWEZNQCLSA-N 1 2 342.399 0.073 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)c2ncccc2O)C1 ZINC001002830064 747846673 /nfs/dbraw/zinc/84/66/73/747846673.db2.gz QFFIGJATYJNARW-AWEZNQCLSA-N 1 2 342.399 0.073 20 30 ECEDLO Cn1nnnc1C[N@H+](C)C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000985385761 747865384 /nfs/dbraw/zinc/86/53/84/747865384.db2.gz DNDPQTJQNBKRMH-UHFFFAOYSA-N 1 2 328.380 0.146 20 30 ECEDLO Cn1nnnc1C[N@@H+](C)C1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000985385761 747865391 /nfs/dbraw/zinc/86/53/91/747865391.db2.gz DNDPQTJQNBKRMH-UHFFFAOYSA-N 1 2 328.380 0.146 20 30 ECEDLO CCn1nncc1C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001027812983 747997205 /nfs/dbraw/zinc/99/72/05/747997205.db2.gz KVSWMGQFOUCORY-ZDUSSCGKSA-N 1 2 327.392 0.892 20 30 ECEDLO CCn1nncc1C[N@H+]1CCC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001027812983 747997208 /nfs/dbraw/zinc/99/72/08/747997208.db2.gz KVSWMGQFOUCORY-ZDUSSCGKSA-N 1 2 327.392 0.892 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H](C[N@H+](C)Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001029676434 748038483 /nfs/dbraw/zinc/03/84/83/748038483.db2.gz AZMNZNXJZQYPKS-OLZOCXBDSA-N 1 2 342.403 0.463 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001029676434 748038491 /nfs/dbraw/zinc/03/84/91/748038491.db2.gz AZMNZNXJZQYPKS-OLZOCXBDSA-N 1 2 342.403 0.463 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H](C[N@H+](C)Cc2ncnn2CC(F)F)C1 ZINC001029678853 748044428 /nfs/dbraw/zinc/04/44/28/748044428.db2.gz UBUNBLADDWYSRV-NWDGAFQWSA-N 1 2 340.378 0.983 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H](C[N@@H+](C)Cc2ncnn2CC(F)F)C1 ZINC001029678853 748044433 /nfs/dbraw/zinc/04/44/33/748044433.db2.gz UBUNBLADDWYSRV-NWDGAFQWSA-N 1 2 340.378 0.983 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001027859022 748787569 /nfs/dbraw/zinc/78/75/69/748787569.db2.gz JTQKWMQSWYJJLF-VHSXEESVSA-N 1 2 332.198 0.584 20 30 ECEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001027859022 748787576 /nfs/dbraw/zinc/78/75/76/748787576.db2.gz JTQKWMQSWYJJLF-VHSXEESVSA-N 1 2 332.198 0.584 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)c1cn(CCOC)nn1 ZINC001027876564 748963392 /nfs/dbraw/zinc/96/33/92/748963392.db2.gz QAOIREKJXWRVNH-LBPRGKRZSA-N 1 2 327.816 0.871 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)c1cn(CCOC)nn1 ZINC001027876564 748963397 /nfs/dbraw/zinc/96/33/97/748963397.db2.gz QAOIREKJXWRVNH-LBPRGKRZSA-N 1 2 327.816 0.871 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC([N@@H+](C)Cc3nnnn3C)CC2)nc1 ZINC000985759639 749027358 /nfs/dbraw/zinc/02/73/58/749027358.db2.gz KUPHZZOLSKPRTI-UHFFFAOYSA-N 1 2 339.403 0.323 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC([N@H+](C)Cc3nnnn3C)CC2)nc1 ZINC000985759639 749027364 /nfs/dbraw/zinc/02/73/64/749027364.db2.gz KUPHZZOLSKPRTI-UHFFFAOYSA-N 1 2 339.403 0.323 20 30 ECEDLO N#Cc1cnc(NC[C@H](O)CNC(=O)CCc2[nH]cc[nH+]2)c(Cl)c1 ZINC001105803653 761913205 /nfs/dbraw/zinc/91/32/05/761913205.db2.gz GQDYDUJYPMJXNE-LLVKDONJSA-N 1 2 348.794 0.852 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2nnnn2C)C1 ZINC001029864360 749086828 /nfs/dbraw/zinc/08/68/28/749086828.db2.gz KRGUUSLSAVSBPQ-YCPHGPKFSA-N 1 2 348.451 0.472 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2nnnn2C)C1 ZINC001029864360 749086836 /nfs/dbraw/zinc/08/68/36/749086836.db2.gz KRGUUSLSAVSBPQ-YCPHGPKFSA-N 1 2 348.451 0.472 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001059647785 749108543 /nfs/dbraw/zinc/10/85/43/749108543.db2.gz GRCOMKNZSIQEJO-HOTGVXAUSA-N 1 2 346.431 0.666 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H](CC)OC)CC2)CC1 ZINC000985827495 749190094 /nfs/dbraw/zinc/19/00/94/749190094.db2.gz YPTZMBAZZJVQJF-OAHLLOKOSA-N 1 2 338.452 0.479 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC001013929819 761928197 /nfs/dbraw/zinc/92/81/97/761928197.db2.gz UVSCTYCUKIFJFM-NEPJUHHUSA-N 1 2 343.391 0.149 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3nncn3C)C2)cn1 ZINC001029891184 749460295 /nfs/dbraw/zinc/46/02/95/749460295.db2.gz CHHJSMRFEIHTMC-AWEZNQCLSA-N 1 2 338.415 0.786 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3nncn3C)C2)cn1 ZINC001029891184 749460299 /nfs/dbraw/zinc/46/02/99/749460299.db2.gz CHHJSMRFEIHTMC-AWEZNQCLSA-N 1 2 338.415 0.786 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H](Nc2nc(C)cc(C#N)n2)C1 ZINC001059689707 749472998 /nfs/dbraw/zinc/47/29/98/749472998.db2.gz YBUOTQREHOEZNL-TXEJJXNPSA-N 1 2 325.376 0.990 20 30 ECEDLO C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001004684013 749753405 /nfs/dbraw/zinc/75/34/05/749753405.db2.gz LISZMNKFACGYTO-WFASDCNBSA-N 1 2 340.387 0.750 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000980579839 749789772 /nfs/dbraw/zinc/78/97/72/749789772.db2.gz XWMXIZDSFNUPLW-GBOPCIDUSA-N 1 2 332.404 0.554 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001149137331 749868664 /nfs/dbraw/zinc/86/86/64/749868664.db2.gz OBIDNVRLIYTUFF-HOTGVXAUSA-N 1 2 333.432 0.299 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001149137331 749868671 /nfs/dbraw/zinc/86/86/71/749868671.db2.gz OBIDNVRLIYTUFF-HOTGVXAUSA-N 1 2 333.432 0.299 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3csnn3)[C@H]2C)nn1 ZINC000987136099 750525299 /nfs/dbraw/zinc/52/52/99/750525299.db2.gz SOINONFJNXOMEU-PWSUYJOCSA-N 1 2 333.421 0.708 20 30 ECEDLO C[C@@H](NC(=O)CSCC#N)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001051428085 762053802 /nfs/dbraw/zinc/05/38/02/762053802.db2.gz UZVQCRBZQUOZRL-VXGBXAGGSA-N 1 2 335.433 0.562 20 30 ECEDLO C#CCCCC(=O)NCCN(CCOC)c1[nH+]cnc2c1cnn2C ZINC001126311127 750671378 /nfs/dbraw/zinc/67/13/78/750671378.db2.gz CJUDEDKXVCFKEL-UHFFFAOYSA-N 1 2 344.419 0.736 20 30 ECEDLO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001005870248 750748092 /nfs/dbraw/zinc/74/80/92/750748092.db2.gz PFAJQBRPCVYCCD-NSHDSACASA-N 1 2 326.360 0.360 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cc[nH+]c2)c1 ZINC001005976024 750873550 /nfs/dbraw/zinc/87/35/50/750873550.db2.gz XYNMLQYQVQVSBU-ZACQAIPSSA-N 1 2 349.394 0.821 20 30 ECEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@H+]2Cc2nc(=O)n(C)[nH]2)CC1 ZINC001028114732 750961534 /nfs/dbraw/zinc/96/15/34/750961534.db2.gz NWNDOALJJALMBN-AWEZNQCLSA-N 1 2 333.436 0.935 20 30 ECEDLO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2nc(=O)n(C)[nH]2)CC1 ZINC001028114732 750961537 /nfs/dbraw/zinc/96/15/37/750961537.db2.gz NWNDOALJJALMBN-AWEZNQCLSA-N 1 2 333.436 0.935 20 30 ECEDLO CN1C[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)NC1=O ZINC000981750383 751049383 /nfs/dbraw/zinc/04/93/83/751049383.db2.gz AIZXTKFZOZWMHO-AWEZNQCLSA-N 1 2 347.444 0.678 20 30 ECEDLO CN1C[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)NC1=O ZINC000981750383 751049388 /nfs/dbraw/zinc/04/93/88/751049388.db2.gz AIZXTKFZOZWMHO-AWEZNQCLSA-N 1 2 347.444 0.678 20 30 ECEDLO C#CCC[NH+]1CCC(N(C)C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001006150550 751074112 /nfs/dbraw/zinc/07/41/12/751074112.db2.gz HGBILEHAGUOGKX-UHFFFAOYSA-N 1 2 342.403 0.017 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@@]3(F)CCOC3)CC2)C1=O ZINC000981821564 751138947 /nfs/dbraw/zinc/13/89/47/751138947.db2.gz NQMARXUVFMXANV-WMLDXEAASA-N 1 2 339.411 0.436 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)[C@@]3(F)CCOC3)CC2)C1=O ZINC000981821564 751138949 /nfs/dbraw/zinc/13/89/49/751138949.db2.gz NQMARXUVFMXANV-WMLDXEAASA-N 1 2 339.411 0.436 20 30 ECEDLO NC(=O)C1(C(=O)N2CCC[N@H+](CC#Cc3ccccc3)CC2)CC1 ZINC000981865033 751216286 /nfs/dbraw/zinc/21/62/86/751216286.db2.gz KYUBZZVNXVAJKK-UHFFFAOYSA-N 1 2 325.412 0.838 20 30 ECEDLO NC(=O)C1(C(=O)N2CCC[N@@H+](CC#Cc3ccccc3)CC2)CC1 ZINC000981865033 751216291 /nfs/dbraw/zinc/21/62/91/751216291.db2.gz KYUBZZVNXVAJKK-UHFFFAOYSA-N 1 2 325.412 0.838 20 30 ECEDLO O=C(Cn1ncnn1)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001007337777 752303406 /nfs/dbraw/zinc/30/34/06/752303406.db2.gz KOYFCKGNHWEJPG-MRXNPFEDSA-N 1 2 342.378 0.445 20 30 ECEDLO O=C(Cn1ncnn1)N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001007337777 752303414 /nfs/dbraw/zinc/30/34/14/752303414.db2.gz KOYFCKGNHWEJPG-MRXNPFEDSA-N 1 2 342.378 0.445 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CC[C@H]3CC(C)(C)CO3)C2)nn1 ZINC001105368438 752469487 /nfs/dbraw/zinc/46/94/87/752469487.db2.gz WVNRKIFOACJXMN-INIZCTEOSA-N 1 2 345.447 0.980 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(F)cc2)[C@H](OC)C1 ZINC001211764985 752662834 /nfs/dbraw/zinc/66/28/34/752662834.db2.gz YAQHZXLHWOEHJT-APHBMKBZSA-N 1 2 347.390 0.393 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(F)cc2)[C@H](OC)C1 ZINC001211764985 752662836 /nfs/dbraw/zinc/66/28/36/752662836.db2.gz YAQHZXLHWOEHJT-APHBMKBZSA-N 1 2 347.390 0.393 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccccn2)[C@H](OC)C1 ZINC001211764863 752676539 /nfs/dbraw/zinc/67/65/39/752676539.db2.gz SOVDAWXTOGWJPV-BPLDGKMQSA-N 1 2 332.404 0.201 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccccn2)[C@H](OC)C1 ZINC001211764863 752676547 /nfs/dbraw/zinc/67/65/47/752676547.db2.gz SOVDAWXTOGWJPV-BPLDGKMQSA-N 1 2 332.404 0.201 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cn([C@H](C)COC)nc2C)[C@@H](O)C1 ZINC001083460821 752887387 /nfs/dbraw/zinc/88/73/87/752887387.db2.gz ZZSOXFLUOVBINW-WQVCFCJDSA-N 1 2 334.420 0.197 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cn([C@H](C)COC)nc2C)[C@@H](O)C1 ZINC001083460821 752887395 /nfs/dbraw/zinc/88/73/95/752887395.db2.gz ZZSOXFLUOVBINW-WQVCFCJDSA-N 1 2 334.420 0.197 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3ccnnc3C)C2)C1=O ZINC001007813839 752955669 /nfs/dbraw/zinc/95/56/69/752955669.db2.gz QCXVHBPYUTYGKR-GOEBONIOSA-N 1 2 343.431 0.766 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3ccnnc3C)C2)C1=O ZINC001007813839 752955673 /nfs/dbraw/zinc/95/56/73/752955673.db2.gz QCXVHBPYUTYGKR-GOEBONIOSA-N 1 2 343.431 0.766 20 30 ECEDLO CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001008022963 753206894 /nfs/dbraw/zinc/20/68/94/753206894.db2.gz PFYZXXDTSPFGHJ-ZDUSSCGKSA-N 1 2 340.387 0.819 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnn4c3CCC4)C2)nn1 ZINC001098680195 753246570 /nfs/dbraw/zinc/24/65/70/753246570.db2.gz CGLIQRVJHOYQTE-CQSZACIVSA-N 1 2 339.403 0.231 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC001008122116 753339322 /nfs/dbraw/zinc/33/93/22/753339322.db2.gz RXEOBZLRFXIAFU-CYBMUJFWSA-N 1 2 349.822 0.829 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC001008122116 753339324 /nfs/dbraw/zinc/33/93/24/753339324.db2.gz RXEOBZLRFXIAFU-CYBMUJFWSA-N 1 2 349.822 0.829 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC001051495104 762207571 /nfs/dbraw/zinc/20/75/71/762207571.db2.gz QSZHOIJFRCTEDT-VXGBXAGGSA-N 1 2 335.408 0.844 20 30 ECEDLO CCCCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)n1 ZINC001051495894 762210399 /nfs/dbraw/zinc/21/03/99/762210399.db2.gz YOGLKIMFVLPRDB-QWHCGFSZSA-N 1 2 335.408 0.889 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3csc(C)n3)C2)nn1 ZINC001105371793 753581361 /nfs/dbraw/zinc/58/13/61/753581361.db2.gz ZXUBTOUZMANHKF-UHFFFAOYSA-N 1 2 344.444 0.782 20 30 ECEDLO N#Cc1cc(C[N@@H+]2C[C@@H](NC(=O)C[C@H]3CCCO3)[C@@H](O)C2)ccc1F ZINC001083351346 753644077 /nfs/dbraw/zinc/64/40/77/753644077.db2.gz ANJRBERKGXIMRO-OIISXLGYSA-N 1 2 347.390 0.928 20 30 ECEDLO N#Cc1cc(C[N@H+]2C[C@@H](NC(=O)C[C@H]3CCCO3)[C@@H](O)C2)ccc1F ZINC001083351346 753644082 /nfs/dbraw/zinc/64/40/82/753644082.db2.gz ANJRBERKGXIMRO-OIISXLGYSA-N 1 2 347.390 0.928 20 30 ECEDLO N#Cc1cc(C[N@@H+]2C[C@@H](NC(=O)C[C@@H]3CCCO3)[C@@H](O)C2)ccc1F ZINC001083351347 753644100 /nfs/dbraw/zinc/64/41/00/753644100.db2.gz ANJRBERKGXIMRO-UAGQMJEPSA-N 1 2 347.390 0.928 20 30 ECEDLO N#Cc1cc(C[N@H+]2C[C@@H](NC(=O)C[C@@H]3CCCO3)[C@@H](O)C2)ccc1F ZINC001083351347 753644103 /nfs/dbraw/zinc/64/41/03/753644103.db2.gz ANJRBERKGXIMRO-UAGQMJEPSA-N 1 2 347.390 0.928 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC001083353292 753649550 /nfs/dbraw/zinc/64/95/50/753649550.db2.gz XJCCYVOYURJYLU-CABCVRRESA-N 1 2 341.371 0.265 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](NC(=O)c2cn[nH]c2)[C@@H](O)C1 ZINC001083353292 753649555 /nfs/dbraw/zinc/64/95/55/753649555.db2.gz XJCCYVOYURJYLU-CABCVRRESA-N 1 2 341.371 0.265 20 30 ECEDLO CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001105493655 753738629 /nfs/dbraw/zinc/73/86/29/753738629.db2.gz NGNMYAFCPLOHTL-ZDUSSCGKSA-N 1 2 339.403 0.702 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CCCOC3)C2)nn1 ZINC001105374331 753752569 /nfs/dbraw/zinc/75/25/69/753752569.db2.gz VISBGWCOKSKOPG-AWEZNQCLSA-N 1 2 331.420 0.591 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)cn1 ZINC001083392520 753793389 /nfs/dbraw/zinc/79/33/89/753793389.db2.gz MKVHVFCTQOWXQV-CABCVRRESA-N 1 2 341.371 0.265 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](O)C2)cn1 ZINC001083392520 753793391 /nfs/dbraw/zinc/79/33/91/753793391.db2.gz MKVHVFCTQOWXQV-CABCVRRESA-N 1 2 341.371 0.265 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](F)Cc3ccccc3)C2)nn1 ZINC001105375696 753820961 /nfs/dbraw/zinc/82/09/61/753820961.db2.gz LGTZGKPFJAXOCM-KRWDZBQOSA-N 1 2 341.390 0.965 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2nnc(C)[nH]2)C1 ZINC001028602109 753884264 /nfs/dbraw/zinc/88/42/64/753884264.db2.gz XCDGYXCUFPNOQB-CABCVRRESA-N 1 2 330.436 0.149 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2nnc(C)[nH]2)C1 ZINC001028602109 753884271 /nfs/dbraw/zinc/88/42/71/753884271.db2.gz XCDGYXCUFPNOQB-CABCVRRESA-N 1 2 330.436 0.149 20 30 ECEDLO C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCCS3(=O)=O)C2)C1 ZINC001040235743 753885807 /nfs/dbraw/zinc/88/58/07/753885807.db2.gz GGUAQULYSJLVQN-WBVHZDCISA-N 1 2 338.473 0.901 20 30 ECEDLO C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCCS3(=O)=O)C2)C1 ZINC001040235743 753885813 /nfs/dbraw/zinc/88/58/13/753885813.db2.gz GGUAQULYSJLVQN-WBVHZDCISA-N 1 2 338.473 0.901 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000989497519 754036459 /nfs/dbraw/zinc/03/64/59/754036459.db2.gz NASWKIRMTYMLAC-MFKMUULPSA-N 1 2 326.360 0.571 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@H](C)C(N)=O)C2)cc1 ZINC001008793511 754124593 /nfs/dbraw/zinc/12/45/93/754124593.db2.gz UWKIKUKXNPQXDP-HIFRSBDPSA-N 1 2 329.400 0.767 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@H](C)C(N)=O)C2)cc1 ZINC001008793511 754124595 /nfs/dbraw/zinc/12/45/95/754124595.db2.gz UWKIKUKXNPQXDP-HIFRSBDPSA-N 1 2 329.400 0.767 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N(C)C3CC3)C2)nn1 ZINC001008796438 754128503 /nfs/dbraw/zinc/12/85/03/754128503.db2.gz WOYBYADOJIYVPD-ZDUSSCGKSA-N 1 2 346.435 0.279 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N(C)C3CC3)C2)nn1 ZINC001008796438 754128505 /nfs/dbraw/zinc/12/85/05/754128505.db2.gz WOYBYADOJIYVPD-ZDUSSCGKSA-N 1 2 346.435 0.279 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3nccnc3C)C2)nn1 ZINC001008797147 754128992 /nfs/dbraw/zinc/12/89/92/754128992.db2.gz CKNWJMPJQQYABV-CQSZACIVSA-N 1 2 341.419 0.957 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3nccnc3C)C2)nn1 ZINC001008797147 754128995 /nfs/dbraw/zinc/12/89/95/754128995.db2.gz CKNWJMPJQQYABV-CQSZACIVSA-N 1 2 341.419 0.957 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001008834129 754176106 /nfs/dbraw/zinc/17/61/06/754176106.db2.gz PDTDAVXVAMKPFO-HBNTYKKESA-N 1 2 343.309 0.548 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)c[nH]1 ZINC000982936453 754244373 /nfs/dbraw/zinc/24/43/73/754244373.db2.gz VULNKEVPBPNYAE-GFCCVEGCSA-N 1 2 326.360 0.361 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3c[nH]nc3CC)C2)nn1 ZINC001098687768 754686790 /nfs/dbraw/zinc/68/67/90/754686790.db2.gz DAJXFYUHXNQOIV-ZDUSSCGKSA-N 1 2 327.392 0.374 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001009262551 754719264 /nfs/dbraw/zinc/71/92/64/754719264.db2.gz SWAKVECEDQMDQQ-AWEZNQCLSA-N 1 2 344.415 0.376 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC001009262551 754719266 /nfs/dbraw/zinc/71/92/66/754719266.db2.gz SWAKVECEDQMDQQ-AWEZNQCLSA-N 1 2 344.415 0.376 20 30 ECEDLO CCc1nnc(C[NH2+]C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)o1 ZINC001051555960 762332000 /nfs/dbraw/zinc/33/20/00/762332000.db2.gz QHIMSBUGOHEWHP-LBPRGKRZSA-N 1 2 344.375 0.463 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000983185633 754815567 /nfs/dbraw/zinc/81/55/67/754815567.db2.gz PSSUKRXUOOTKED-KFWWJZLASA-N 1 2 346.431 0.898 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001009464215 754920253 /nfs/dbraw/zinc/92/02/53/754920253.db2.gz YCCNMSMGVGRERU-LLVKDONJSA-N 1 2 328.800 0.214 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001009464215 754920259 /nfs/dbraw/zinc/92/02/59/754920259.db2.gz YCCNMSMGVGRERU-LLVKDONJSA-N 1 2 328.800 0.214 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3ccnc(C)n3)C2)C1=O ZINC001009553163 754999160 /nfs/dbraw/zinc/99/91/60/754999160.db2.gz RNLROXQYGUOUPQ-HOCLYGCPSA-N 1 2 343.431 0.766 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3ccnc(C)n3)C2)C1=O ZINC001009553163 754999162 /nfs/dbraw/zinc/99/91/62/754999162.db2.gz RNLROXQYGUOUPQ-HOCLYGCPSA-N 1 2 343.431 0.766 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2nnc(CC)n2C)C1 ZINC001028809924 755199417 /nfs/dbraw/zinc/19/94/17/755199417.db2.gz QNZZZUHFZHLXBF-KFWWJZLASA-N 1 2 347.463 0.907 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2nnc(CC)n2C)C1 ZINC001028809924 755199421 /nfs/dbraw/zinc/19/94/21/755199421.db2.gz QNZZZUHFZHLXBF-KFWWJZLASA-N 1 2 347.463 0.907 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H](CNc2nccnc2C#N)C1 ZINC001060041138 755328568 /nfs/dbraw/zinc/32/85/68/755328568.db2.gz PGYXYRXVDMRHRL-ZDUSSCGKSA-N 1 2 339.403 0.975 20 30 ECEDLO CO[C@@]1(c2nnc(C[NH2+]CCNC(=O)C#CC(C)C)o2)CCOC1 ZINC001126815654 755514094 /nfs/dbraw/zinc/51/40/94/755514094.db2.gz HDBUHLMMOYTQGG-INIZCTEOSA-N 1 2 336.392 0.197 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)OC2(CCN(CC#N)CC2)C1 ZINC001098656603 755683665 /nfs/dbraw/zinc/68/36/65/755683665.db2.gz ULJKEHOXKXPRKK-ZDUSSCGKSA-N 1 2 331.420 0.866 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3COCCO3)C2)c(F)c1 ZINC001010258425 755896456 /nfs/dbraw/zinc/89/64/56/755896456.db2.gz UAUJSAMPZBNMTP-HOCLYGCPSA-N 1 2 333.363 0.803 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3COCCO3)C2)c(F)c1 ZINC001010258425 755896461 /nfs/dbraw/zinc/89/64/61/755896461.db2.gz UAUJSAMPZBNMTP-HOCLYGCPSA-N 1 2 333.363 0.803 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ncoc3CC)C2)C1=O ZINC001010402819 756085897 /nfs/dbraw/zinc/08/58/97/756085897.db2.gz BYOBHFLHJNAXDH-QWHCGFSZSA-N 1 2 332.404 0.828 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ncoc3CC)C2)C1=O ZINC001010402819 756085901 /nfs/dbraw/zinc/08/59/01/756085901.db2.gz BYOBHFLHJNAXDH-QWHCGFSZSA-N 1 2 332.404 0.828 20 30 ECEDLO C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)CCc1c[nH+]cn1C ZINC001076179263 756178599 /nfs/dbraw/zinc/17/85/99/756178599.db2.gz YNYGUDAEQHPPTB-LBPRGKRZSA-N 1 2 342.403 0.877 20 30 ECEDLO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001010670842 756377186 /nfs/dbraw/zinc/37/71/86/756377186.db2.gz QTMZOJSMTZFZIW-LBPRGKRZSA-N 1 2 326.360 0.689 20 30 ECEDLO COc1ccc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001010670842 756377189 /nfs/dbraw/zinc/37/71/89/756377189.db2.gz QTMZOJSMTZFZIW-LBPRGKRZSA-N 1 2 326.360 0.689 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cncn3)[C@@H]2C1 ZINC001076536889 756620991 /nfs/dbraw/zinc/62/09/91/756620991.db2.gz JLNPYHLFYJYKEU-NWDGAFQWSA-N 1 2 340.225 0.719 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cncn3)[C@@H]2C1 ZINC001076536889 756620994 /nfs/dbraw/zinc/62/09/94/756620994.db2.gz JLNPYHLFYJYKEU-NWDGAFQWSA-N 1 2 340.225 0.719 20 30 ECEDLO N#CCOc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C(F)F)C2)cc1 ZINC001076658971 756799708 /nfs/dbraw/zinc/79/97/08/756799708.db2.gz WLIOHPLCXXXWHG-CHWSQXEVSA-N 1 2 325.315 0.515 20 30 ECEDLO N#CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(F)F)C2)cc1 ZINC001076658971 756799713 /nfs/dbraw/zinc/79/97/13/756799713.db2.gz WLIOHPLCXXXWHG-CHWSQXEVSA-N 1 2 325.315 0.515 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001011062617 756859275 /nfs/dbraw/zinc/85/92/75/756859275.db2.gz IAHRDTJRUUMBQZ-KGLIPLIRSA-N 1 2 332.404 0.604 20 30 ECEDLO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc[n+]([O-])cc3)C2)c1 ZINC001076711087 756898612 /nfs/dbraw/zinc/89/86/12/756898612.db2.gz BFXCMFLDXVSXRW-IAGOWNOFSA-N 1 2 338.367 0.167 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc[n+]([O-])cc3)C2)c1 ZINC001076711087 756898618 /nfs/dbraw/zinc/89/86/18/756898618.db2.gz BFXCMFLDXVSXRW-IAGOWNOFSA-N 1 2 338.367 0.167 20 30 ECEDLO CCc1cc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)[nH]n1 ZINC001076759016 757024667 /nfs/dbraw/zinc/02/46/67/757024667.db2.gz JDGQHOSJRPVIAE-QZTJIDSGSA-N 1 2 338.411 0.799 20 30 ECEDLO CCc1cc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)[nH]n1 ZINC001076759016 757024673 /nfs/dbraw/zinc/02/46/73/757024673.db2.gz JDGQHOSJRPVIAE-QZTJIDSGSA-N 1 2 338.411 0.799 20 30 ECEDLO C=CCOCC(=O)NCc1cn(C2C[NH+](C[C@H]3CC[C@H](C)O3)C2)nn1 ZINC001107147436 757046144 /nfs/dbraw/zinc/04/61/44/757046144.db2.gz ZUTZOLRVQPDEPN-XJKSGUPXSA-N 1 2 349.435 0.521 20 30 ECEDLO CC(C)n1nnnc1C[N@H+]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 ZINC001048810855 757069893 /nfs/dbraw/zinc/06/98/93/757069893.db2.gz UQCOSZHMNKDFPT-GASCZTMLSA-N 1 2 328.420 0.558 20 30 ECEDLO CC(C)n1nnnc1C[N@@H+]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 ZINC001048810855 757069905 /nfs/dbraw/zinc/06/99/05/757069905.db2.gz UQCOSZHMNKDFPT-GASCZTMLSA-N 1 2 328.420 0.558 20 30 ECEDLO CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1O ZINC001048813377 757077149 /nfs/dbraw/zinc/07/71/49/757077149.db2.gz ACLWRZBNRNKWOU-HOTGVXAUSA-N 1 2 346.431 0.353 20 30 ECEDLO C=CCCC[NH+]1CC(n2cc(CNC(=O)CCc3nc[nH]n3)nn2)C1 ZINC001107155612 757103016 /nfs/dbraw/zinc/10/30/16/757103016.db2.gz GHZDZRRUTCRAJY-UHFFFAOYSA-N 1 2 344.423 0.468 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCc3nnc[nH]3)nn2)C1 ZINC001107152430 757110946 /nfs/dbraw/zinc/11/09/46/757110946.db2.gz BHJCZJZQSUCQGA-UHFFFAOYSA-N 1 2 330.396 0.078 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 ZINC001048825077 757117738 /nfs/dbraw/zinc/11/77/38/757117738.db2.gz RWJOYQLAZIXDRB-RCBQFDQVSA-N 1 2 344.415 0.032 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 ZINC001048825077 757117743 /nfs/dbraw/zinc/11/77/43/757117743.db2.gz RWJOYQLAZIXDRB-RCBQFDQVSA-N 1 2 344.415 0.032 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CC[C@@H]3CCOC3)nn2)C1 ZINC001107157364 757145980 /nfs/dbraw/zinc/14/59/80/757145980.db2.gz NZFRDVQQCTXVFB-CQSZACIVSA-N 1 2 331.420 0.591 20 30 ECEDLO Cc1ocnc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076789677 757153495 /nfs/dbraw/zinc/15/34/95/757153495.db2.gz PPONNDJKELSMCW-HUUCEWRRSA-N 1 2 326.356 0.830 20 30 ECEDLO Cc1ocnc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076789677 757153499 /nfs/dbraw/zinc/15/34/99/757153499.db2.gz PPONNDJKELSMCW-HUUCEWRRSA-N 1 2 326.356 0.830 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cocn3)C2)cc1C#N ZINC001076804255 757198141 /nfs/dbraw/zinc/19/81/41/757198141.db2.gz FQVYHKAQXLCTPT-UKRRQHHQSA-N 1 2 342.355 0.530 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cocn3)C2)cc1C#N ZINC001076804255 757198149 /nfs/dbraw/zinc/19/81/49/757198149.db2.gz FQVYHKAQXLCTPT-UKRRQHHQSA-N 1 2 342.355 0.530 20 30 ECEDLO C[C@@H]1CC[C@H](C[NH+]2CC(n3cc(CNC(=O)C#CC4CC4)nn3)C2)O1 ZINC001107169567 757206622 /nfs/dbraw/zinc/20/66/22/757206622.db2.gz ODZYAJVQKMRCEY-CXAGYDPISA-N 1 2 343.431 0.732 20 30 ECEDLO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001048917039 757405658 /nfs/dbraw/zinc/40/56/58/757405658.db2.gz ZESQVKOCJRSFPD-QEJZJMRPSA-N 1 2 334.420 0.585 20 30 ECEDLO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001048917039 757405660 /nfs/dbraw/zinc/40/56/60/757405660.db2.gz ZESQVKOCJRSFPD-QEJZJMRPSA-N 1 2 334.420 0.585 20 30 ECEDLO C=C(C)CCC(=O)N(C)[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1O ZINC001048937544 757463739 /nfs/dbraw/zinc/46/37/39/757463739.db2.gz OOLJUJYAKQTEBS-KBPBESRZSA-N 1 2 334.420 0.729 20 30 ECEDLO N#Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3=CCOCC3)C2)ccc1F ZINC001076919267 757594774 /nfs/dbraw/zinc/59/47/74/757594774.db2.gz DMMTXRTYCIMKTR-IAGOWNOFSA-N 1 2 345.374 0.705 20 30 ECEDLO N#Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3=CCOCC3)C2)ccc1F ZINC001076919267 757594779 /nfs/dbraw/zinc/59/47/79/757594779.db2.gz DMMTXRTYCIMKTR-IAGOWNOFSA-N 1 2 345.374 0.705 20 30 ECEDLO Cn1nccc1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001076935891 757667722 /nfs/dbraw/zinc/66/77/22/757667722.db2.gz TZEFSGVRYDFLEL-HUUCEWRRSA-N 1 2 345.428 0.257 20 30 ECEDLO Cn1nccc1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001076935891 757667732 /nfs/dbraw/zinc/66/77/32/757667732.db2.gz TZEFSGVRYDFLEL-HUUCEWRRSA-N 1 2 345.428 0.257 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccoc3CC)C2)C1=O ZINC001076946813 757728413 /nfs/dbraw/zinc/72/84/13/757728413.db2.gz FOTAYWJGENWFQW-RBSFLKMASA-N 1 2 347.415 0.404 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccoc3CC)C2)C1=O ZINC001076946813 757728422 /nfs/dbraw/zinc/72/84/22/757728422.db2.gz FOTAYWJGENWFQW-RBSFLKMASA-N 1 2 347.415 0.404 20 30 ECEDLO C#CCCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001049034129 757748577 /nfs/dbraw/zinc/74/85/77/757748577.db2.gz DLQIOHQCFYNEFC-HOTGVXAUSA-N 1 2 346.431 0.497 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H](CC)NC(C)=O)nn2)C1 ZINC001107213626 757775824 /nfs/dbraw/zinc/77/58/24/757775824.db2.gz FKAOPHCQAKMECJ-OAHLLOKOSA-N 1 2 334.424 0.242 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C(C)(C)NC(=O)NCC)nn2)C1 ZINC001107217649 757824064 /nfs/dbraw/zinc/82/40/64/757824064.db2.gz ULWOZKKXMUTYOQ-UHFFFAOYSA-N 1 2 349.439 0.035 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3ccncn3)nn2)C1 ZINC001107221294 757859451 /nfs/dbraw/zinc/85/94/51/757859451.db2.gz RRLWYRRJJAZGFN-UHFFFAOYSA-N 1 2 343.391 0.057 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCO[C@H]3C)nn2)C1 ZINC001107222834 757893784 /nfs/dbraw/zinc/89/37/84/757893784.db2.gz RLKHFDDCPYZMBJ-XJKSGUPXSA-N 1 2 349.435 0.379 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCCC(=O)NCC)nn2)C1 ZINC001107230478 757938514 /nfs/dbraw/zinc/93/85/14/757938514.db2.gz JFDSIHLWWYMCLP-UHFFFAOYSA-N 1 2 348.451 0.634 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCOCCCOC)nn2)C1 ZINC001107227552 757980777 /nfs/dbraw/zinc/98/07/77/757980777.db2.gz LMUQAVKMVJFHSB-UHFFFAOYSA-N 1 2 337.424 0.380 20 30 ECEDLO C#CCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001049110928 757984389 /nfs/dbraw/zinc/98/43/89/757984389.db2.gz AMBLOBNQZYWQSX-HOTGVXAUSA-N 1 2 346.431 0.186 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H](C)N3CCOCC3)nn2)C1 ZINC001107241809 757998511 /nfs/dbraw/zinc/99/85/11/757998511.db2.gz FOESITYKWVEQEX-AWEZNQCLSA-N 1 2 348.451 0.048 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)C[C@@H]3CCCO3)nn2)C1 ZINC001107241437 758045139 /nfs/dbraw/zinc/04/51/39/758045139.db2.gz UUHJZWFGDXJFOK-PBHICJAKSA-N 1 2 345.447 0.980 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001011623055 758155063 /nfs/dbraw/zinc/15/50/63/758155063.db2.gz UNWXIAIWCPDJDG-GOEBONIOSA-N 1 2 348.447 0.318 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001011623055 758155070 /nfs/dbraw/zinc/15/50/70/758155070.db2.gz UNWXIAIWCPDJDG-GOEBONIOSA-N 1 2 348.447 0.318 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4cnn(C)n4)C[C@@H]3C2)nc1 ZINC001049177720 758231422 /nfs/dbraw/zinc/23/14/22/758231422.db2.gz KFPWVSIIPMEOSC-GASCZTMLSA-N 1 2 336.399 0.395 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cnn(C)n4)C[C@@H]3C2)nc1 ZINC001049177720 758231427 /nfs/dbraw/zinc/23/14/27/758231427.db2.gz KFPWVSIIPMEOSC-GASCZTMLSA-N 1 2 336.399 0.395 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001011662926 758240218 /nfs/dbraw/zinc/24/02/18/758240218.db2.gz ZAMNYCWTHCCFTN-BXUZGUMPSA-N 1 2 340.387 0.582 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+]([C@H]2CCN(CC)C2=O)C[C@H]1O ZINC001077138999 758295950 /nfs/dbraw/zinc/29/59/50/758295950.db2.gz SVIGAAMKSUSVIM-VNQPRFMTSA-N 1 2 346.431 0.070 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(CC)C2=O)C[C@H]1O ZINC001077138999 758295956 /nfs/dbraw/zinc/29/59/56/758295956.db2.gz SVIGAAMKSUSVIM-VNQPRFMTSA-N 1 2 346.431 0.070 20 30 ECEDLO C#CCOCCC(=O)NC/C=C\CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001107345522 758357034 /nfs/dbraw/zinc/35/70/34/758357034.db2.gz CNKBYEALSMBDSN-SREVYHEPSA-N 1 2 332.408 0.370 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cncc(C)c2)C[C@H]1O ZINC001077158777 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C=C[C@](C)(CC)C(=O)N(C)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001049450472 758724788 /nfs/dbraw/zinc/72/47/88/758724788.db2.gz YQFNSGAVJMEQQN-GRDNDAEWSA-N 1 2 334.420 0.585 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H]2C)cn1 ZINC001011938609 759004823 /nfs/dbraw/zinc/00/48/23/759004823.db2.gz SUSBXUJECACALX-MLGOLLRUSA-N 1 2 337.383 0.748 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2coc(-c3cccnc3)n2)[C@@H](O)C1 ZINC001083606465 759264277 /nfs/dbraw/zinc/26/42/77/759264277.db2.gz ZJQPCIJMGHVEBH-HIFRSBDPSA-N 1 2 326.356 0.535 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2coc(-c3cccnc3)n2)[C@@H](O)C1 ZINC001083606465 759264284 /nfs/dbraw/zinc/26/42/84/759264284.db2.gz ZJQPCIJMGHVEBH-HIFRSBDPSA-N 1 2 326.356 0.535 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(NC(C)=O)c(F)c2)C1 ZINC001047649889 759410025 /nfs/dbraw/zinc/41/00/25/759410025.db2.gz LNYNIUYSDAZKES-HOTGVXAUSA-N 1 2 333.363 0.534 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(NC(C)=O)c(F)c2)C1 ZINC001047649889 759410028 /nfs/dbraw/zinc/41/00/28/759410028.db2.gz LNYNIUYSDAZKES-HOTGVXAUSA-N 1 2 333.363 0.534 20 30 ECEDLO C=CCOCCCC(=O)N1CCC(OC2C[NH+](CCO)C2)CC1 ZINC001105700919 759423976 /nfs/dbraw/zinc/42/39/76/759423976.db2.gz DUYQLHLGLXGDSG-UHFFFAOYSA-N 1 2 326.437 0.653 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2ccc(C)o2)[C@H](OC)C1 ZINC001212136328 759644160 /nfs/dbraw/zinc/64/41/60/759644160.db2.gz ISFAXRCXITXFRB-FVQBIDKESA-N 1 2 349.431 0.637 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2ccc(C)o2)[C@H](OC)C1 ZINC001212136328 759644165 /nfs/dbraw/zinc/64/41/65/759644165.db2.gz ISFAXRCXITXFRB-FVQBIDKESA-N 1 2 349.431 0.637 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCS(=O)(=O)C3)[C@@H]2C1 ZINC001050089712 759684675 /nfs/dbraw/zinc/68/46/75/759684675.db2.gz RNWGDUHGEWZVRU-HRCADAONSA-N 1 2 338.473 0.757 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCS(=O)(=O)C3)[C@@H]2C1 ZINC001050089712 759684678 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C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001050490925 760354007 /nfs/dbraw/zinc/35/40/07/760354007.db2.gz MOTBCOGGHZCFRV-OLZOCXBDSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000945478701 760361893 /nfs/dbraw/zinc/36/18/93/760361893.db2.gz XTZLPZRILWCKLH-AAEUAGOBSA-N 1 2 340.387 0.819 20 30 ECEDLO COCc1noc(C[NH2+][C@H]2CN(C(=O)C#CC3CC3)CC2(C)C)n1 ZINC000995798339 760620620 /nfs/dbraw/zinc/62/06/20/760620620.db2.gz NLJJLOSXPPMYLO-ZDUSSCGKSA-N 1 2 332.404 0.956 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001060235442 760813168 /nfs/dbraw/zinc/81/31/68/760813168.db2.gz NKTBPNRLKQBXNY-DYVFJYSZSA-N 1 2 334.420 0.634 20 30 ECEDLO C#CCCCCC(=O)N(C)[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1O ZINC001048709045 760991806 /nfs/dbraw/zinc/99/18/06/760991806.db2.gz QMFNCODVALZITA-HOTGVXAUSA-N 1 2 346.431 0.497 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1c1ccc(C#N)nn1 ZINC001048759864 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ECEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1nc2ncc(C)cn2n1 ZINC001050975351 761260426 /nfs/dbraw/zinc/26/04/26/761260426.db2.gz YFKWVYOGACAZBN-CQSZACIVSA-N 1 2 344.419 0.830 20 30 ECEDLO C=C[C@@](C)(CCOC)C(=O)N1CCC(OC2C[NH+](CCO)C2)CC1 ZINC001105717503 761291169 /nfs/dbraw/zinc/29/11/69/761291169.db2.gz YSXYDDRSHNQEQS-SFHVURJKSA-N 1 2 340.464 0.899 20 30 ECEDLO C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnc2sccn2c1=O ZINC001051011873 761332600 /nfs/dbraw/zinc/33/26/00/761332600.db2.gz OBOJTYYDZRFPIM-LBPRGKRZSA-N 1 2 346.412 0.210 20 30 ECEDLO C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnc2sccn2c1=O ZINC001051011873 761332610 /nfs/dbraw/zinc/33/26/10/761332610.db2.gz OBOJTYYDZRFPIM-LBPRGKRZSA-N 1 2 346.412 0.210 20 30 ECEDLO C=CC[NH+]1CC(OC2CCN(C(=O)C3(C(=O)NC)CCC3)CC2)C1 ZINC001105733477 761407526 /nfs/dbraw/zinc/40/75/26/761407526.db2.gz BUFDUHVNVODERF-UHFFFAOYSA-N 1 2 335.448 0.781 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001051089227 761471411 /nfs/dbraw/zinc/47/14/11/761471411.db2.gz KPUQSAWGAOMYBB-KGLIPLIRSA-N 1 2 333.436 0.313 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001051089227 761471416 /nfs/dbraw/zinc/47/14/16/761471416.db2.gz KPUQSAWGAOMYBB-KGLIPLIRSA-N 1 2 333.436 0.313 20 30 ECEDLO CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2c[nH]c(C#N)c2)C1=O ZINC001017491563 768055279 /nfs/dbraw/zinc/05/52/79/768055279.db2.gz WPKDYYSMVFDUEF-XHSDSOJGSA-N 1 2 341.415 0.796 20 30 ECEDLO CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2c[nH]c(C#N)c2)C1=O ZINC001017491563 768055283 /nfs/dbraw/zinc/05/52/83/768055283.db2.gz WPKDYYSMVFDUEF-XHSDSOJGSA-N 1 2 341.415 0.796 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccnc2nc(C)nn21 ZINC001051205506 761684793 /nfs/dbraw/zinc/68/47/93/761684793.db2.gz YWJXFIMFTFHHND-CQSZACIVSA-N 1 2 344.419 0.830 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccnc2nc(C)nn21 ZINC001051205506 761684795 /nfs/dbraw/zinc/68/47/95/761684795.db2.gz YWJXFIMFTFHHND-CQSZACIVSA-N 1 2 344.419 0.830 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2C[C@H]2CCOC2)nc1 ZINC001051215698 761706376 /nfs/dbraw/zinc/70/63/76/761706376.db2.gz ZBKKQRBIBWTAAZ-CVEARBPZSA-N 1 2 329.400 0.530 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2C[C@H]2CCOC2)nc1 ZINC001051215698 761706379 /nfs/dbraw/zinc/70/63/79/761706379.db2.gz ZBKKQRBIBWTAAZ-CVEARBPZSA-N 1 2 329.400 0.530 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001051230275 761726364 /nfs/dbraw/zinc/72/63/64/761726364.db2.gz HLIQJSHJAISBPF-JKSUJKDBSA-N 1 2 339.436 0.017 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001051230275 761726368 /nfs/dbraw/zinc/72/63/68/761726368.db2.gz HLIQJSHJAISBPF-JKSUJKDBSA-N 1 2 339.436 0.017 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)C1 ZINC000991577810 761748648 /nfs/dbraw/zinc/74/86/48/761748648.db2.gz XQDSIYQUFAXFSP-KBPBESRZSA-N 1 2 332.404 0.317 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)CNc1ncc(C#N)cc1F ZINC001105920551 762773973 /nfs/dbraw/zinc/77/39/73/762773973.db2.gz IQRPBSLGKACGRF-LLVKDONJSA-N 1 2 332.339 0.256 20 30 ECEDLO C#CCOc1ncccc1C(=O)NC[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001105925418 762819424 /nfs/dbraw/zinc/81/94/24/762819424.db2.gz UYTLOQXIROZCDQ-ZDUSSCGKSA-N 1 2 341.371 0.395 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3cnsn3)C2)nc1 ZINC001051908774 763303406 /nfs/dbraw/zinc/30/34/06/763303406.db2.gz KVLNQLSEUSKSPI-CQSZACIVSA-N 1 2 343.412 0.545 20 30 ECEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCNC1=O ZINC001031896536 763425038 /nfs/dbraw/zinc/42/50/38/763425038.db2.gz HPWSRJDPQOLVDS-INIZCTEOSA-N 1 2 329.375 0.361 20 30 ECEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCS(C)(=O)=O ZINC001098982087 763437037 /nfs/dbraw/zinc/43/70/37/763437037.db2.gz IJDPQKPFPHGSSB-STQMWFEESA-N 1 2 329.466 0.797 20 30 ECEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCS(C)(=O)=O ZINC001098982087 763437042 /nfs/dbraw/zinc/43/70/42/763437042.db2.gz IJDPQKPFPHGSSB-STQMWFEESA-N 1 2 329.466 0.797 20 30 ECEDLO CN1C[C@@H](C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)NC1=O ZINC001031902260 763471281 /nfs/dbraw/zinc/47/12/81/763471281.db2.gz JGSSZZICDDFBQG-INIZCTEOSA-N 1 2 344.390 0.249 20 30 ECEDLO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCc3n[nH]nc32)C1 ZINC001046973003 763493026 /nfs/dbraw/zinc/49/30/26/763493026.db2.gz WZEADEIOQRIDRL-RYUDHWBXSA-N 1 2 337.374 0.931 20 30 ECEDLO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCc3n[nH]nc32)C1 ZINC001046973003 763493031 /nfs/dbraw/zinc/49/30/31/763493031.db2.gz WZEADEIOQRIDRL-RYUDHWBXSA-N 1 2 337.374 0.931 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(CCn3cccn3)CC2)C1 ZINC001051997675 763548762 /nfs/dbraw/zinc/54/87/62/763548762.db2.gz FQQZLNGDWUVWPY-JKSUJKDBSA-N 1 2 330.436 0.261 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(Cc3cnn(C)c3)CC2)C1 ZINC001051998240 763550618 /nfs/dbraw/zinc/55/06/18/763550618.db2.gz PYKJTGNHFADARO-ZBFHGGJFSA-N 1 2 330.436 0.298 20 30 ECEDLO Cc1cc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)no1 ZINC001051998463 763551200 /nfs/dbraw/zinc/55/12/00/763551200.db2.gz UPVQABCYSZMYQW-BBRMVZONSA-N 1 2 331.420 0.861 20 30 ECEDLO Cc1cc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)on1 ZINC001051998601 763551838 /nfs/dbraw/zinc/55/18/38/763551838.db2.gz WEMCCTWZGNDWEL-HIFRSBDPSA-N 1 2 331.420 0.861 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3ccnn3C)C2)CC1 ZINC001052020784 763602916 /nfs/dbraw/zinc/60/29/16/763602916.db2.gz JPVKVDRRTBTUCB-KRWDZBQOSA-N 1 2 329.448 0.204 20 30 ECEDLO CC(C)c1cc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)nn1C ZINC001052024421 763611777 /nfs/dbraw/zinc/61/17/77/763611777.db2.gz BURKFBPWXKFBDU-HNNXBMFYSA-N 1 2 344.463 0.899 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn4c(n3)CCC4)C2)CC1 ZINC001052026147 763618248 /nfs/dbraw/zinc/61/82/48/763618248.db2.gz ATVQHOVRUXENGI-MRXNPFEDSA-N 1 2 341.459 0.685 20 30 ECEDLO CCc1ccnc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)c1 ZINC001052031318 763632034 /nfs/dbraw/zinc/63/20/34/763632034.db2.gz JRKAZABPOPBJOR-MRXNPFEDSA-N 1 2 327.432 1.000 20 30 ECEDLO CCc1ccnc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)c1 ZINC001052031317 763632244 /nfs/dbraw/zinc/63/22/44/763632244.db2.gz JRKAZABPOPBJOR-INIZCTEOSA-N 1 2 327.432 1.000 20 30 ECEDLO CCCn1nccc1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052033413 763636166 /nfs/dbraw/zinc/63/61/66/763636166.db2.gz RBVPXDNEIGENLV-HNNXBMFYSA-N 1 2 330.436 0.649 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc4n(n3)CCC4)C2)CC1 ZINC001052035255 763640834 /nfs/dbraw/zinc/64/08/34/763640834.db2.gz FUIQFCLWBGHDPP-HNNXBMFYSA-N 1 2 328.420 0.185 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)COc3cc(C)on3)C2)CC1 ZINC001052037548 763655394 /nfs/dbraw/zinc/65/53/94/763655394.db2.gz NKXHVPJRWCXKAB-HNNXBMFYSA-N 1 2 332.404 0.214 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@]3(CC)CCNC3=O)C2)CC1 ZINC001052041427 763667063 /nfs/dbraw/zinc/66/70/63/763667063.db2.gz HXIZHNVUNJGFJI-APWZRJJASA-N 1 2 348.491 0.697 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001052045732 763684598 /nfs/dbraw/zinc/68/45/98/763684598.db2.gz UCMDFQLNTNGPKI-CHWSQXEVSA-N 1 2 349.460 0.810 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn4c3OCCC4)C2)CC1 ZINC001052047584 763691692 /nfs/dbraw/zinc/69/16/92/763691692.db2.gz RTROHJAFMPZCSY-AWEZNQCLSA-N 1 2 344.419 0.021 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)CN3CCCCC3=O)C2)CC1 ZINC001052048434 763696862 /nfs/dbraw/zinc/69/68/62/763696862.db2.gz UEEYNMCUHMSGIE-QGZVFWFLSA-N 1 2 346.475 0.241 20 30 ECEDLO C=C1CCC(C(=O)N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](O)C2)CC1 ZINC000991816319 763735558 /nfs/dbraw/zinc/73/55/58/763735558.db2.gz NAQGSVPTUDZJSQ-CVEARBPZSA-N 1 2 346.431 0.777 20 30 ECEDLO C=C1CCC(C(=O)N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](O)C2)CC1 ZINC000991816332 763735823 /nfs/dbraw/zinc/73/58/23/763735823.db2.gz NAQGSVPTUDZJSQ-JKSUJKDBSA-N 1 2 346.431 0.777 20 30 ECEDLO Cc1nn(C)c(C)c1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052060117 763738353 /nfs/dbraw/zinc/73/83/53/763738353.db2.gz XKXVFOINIJMIIM-HNNXBMFYSA-N 1 2 330.436 0.393 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCCc4nn[nH]c43)C2)CC1 ZINC001052068563 763763213 /nfs/dbraw/zinc/76/32/13/763763213.db2.gz JMYKOVFZKGIHDA-GJZGRUSLSA-N 1 2 342.447 0.076 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnc(C)n3C)C2)CC1 ZINC001052071505 763772011 /nfs/dbraw/zinc/77/20/11/763772011.db2.gz ULBWYCHVTJFVJT-INIZCTEOSA-N 1 2 329.448 0.584 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccc(=O)n3C)C2)CC1 ZINC001052079556 763793002 /nfs/dbraw/zinc/79/30/02/763793002.db2.gz CTECOGKTAQWGNP-MRXNPFEDSA-N 1 2 342.443 0.241 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@H]([NH+]3CCN([C@H]4CCNC4=O)CC3)C2)C1 ZINC001052083098 763804605 /nfs/dbraw/zinc/80/46/05/763804605.db2.gz ZYDGCVRBNWDSIV-HOTGVXAUSA-N 1 2 346.475 0.450 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3nn(C)c(C)c3Cl)C2)CC1 ZINC001052087688 763820284 /nfs/dbraw/zinc/82/02/84/763820284.db2.gz AAKIHWPKNOQDDK-CQSZACIVSA-N 1 2 349.866 0.847 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3nn(C)c(C)c3Cl)C2)CC1 ZINC001052087688 763820292 /nfs/dbraw/zinc/82/02/92/763820292.db2.gz AAKIHWPKNOQDDK-CQSZACIVSA-N 1 2 349.866 0.847 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1 ZINC001052091719 763831801 /nfs/dbraw/zinc/83/18/01/763831801.db2.gz KRPFGFUBEUXKCS-MLHJIOFPSA-N 1 2 331.460 0.796 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc(C4CC4)nc3)C2)CC1 ZINC001052092573 763833038 /nfs/dbraw/zinc/83/30/38/763833038.db2.gz CDLMNGUJNMQOGH-MRXNPFEDSA-N 1 2 340.431 0.710 20 30 ECEDLO CCC1(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)CCOCC1 ZINC001052102632 763866542 /nfs/dbraw/zinc/86/65/42/763866542.db2.gz GDVQTXPQOSLODC-MRXNPFEDSA-N 1 2 334.464 0.935 20 30 ECEDLO COc1cccc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052105353 763875574 /nfs/dbraw/zinc/87/55/74/763875574.db2.gz JVXTVWJQOVFBKN-AWEZNQCLSA-N 1 2 329.404 0.446 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccc(OC)n3)C2)CC1 ZINC001052105155 763875851 /nfs/dbraw/zinc/87/58/51/763875851.db2.gz GIRCJQBSWUXQPT-MRXNPFEDSA-N 1 2 342.443 0.946 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccc(OC)n3)C2)CC1 ZINC001052105155 763875857 /nfs/dbraw/zinc/87/58/57/763875857.db2.gz GIRCJQBSWUXQPT-MRXNPFEDSA-N 1 2 342.443 0.946 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3ccccc3)C2)C1=O ZINC001047286785 763889816 /nfs/dbraw/zinc/88/98/16/763889816.db2.gz HNKPQCCSKXUMLA-ULQDDVLXSA-N 1 2 343.427 0.591 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3ccccc3)C2)C1=O ZINC001047286785 763889824 /nfs/dbraw/zinc/88/98/24/763889824.db2.gz HNKPQCCSKXUMLA-ULQDDVLXSA-N 1 2 343.427 0.591 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)Oc3ccccn3)C2)CC1 ZINC001052108151 763890019 /nfs/dbraw/zinc/89/00/19/763890019.db2.gz KECVEZAXCDRHSJ-SJORKVTESA-N 1 2 342.443 0.701 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cccnc3OCC)C2)CC1 ZINC001052112789 763908270 /nfs/dbraw/zinc/90/82/70/763908270.db2.gz DOKODCVRRTVVPT-INIZCTEOSA-N 1 2 342.443 0.946 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccnc3OCC)C2)CC1 ZINC001052112789 763908278 /nfs/dbraw/zinc/90/82/78/763908278.db2.gz DOKODCVRRTVVPT-INIZCTEOSA-N 1 2 342.443 0.946 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3noc4c3COCC4)C2)CC1 ZINC001052118260 763931665 /nfs/dbraw/zinc/93/16/65/763931665.db2.gz ASPULRISPMTFKG-AWEZNQCLSA-N 1 2 346.431 0.765 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)c3cnn(C)c3)C2)CC1 ZINC001052123082 763948369 /nfs/dbraw/zinc/94/83/69/763948369.db2.gz BASYVVJCYSBCIV-WBVHZDCISA-N 1 2 329.448 0.375 20 30 ECEDLO COCc1nc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)cs1 ZINC001052123417 763948496 /nfs/dbraw/zinc/94/84/96/763948496.db2.gz HTOLRMHWZCLALI-CYBMUJFWSA-N 1 2 349.460 0.645 20 30 ECEDLO CN(C(=O)c1cnsn1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047312271 763960478 /nfs/dbraw/zinc/96/04/78/763960478.db2.gz QYVVRSDBCOXUCF-GJZGRUSLSA-N 1 2 343.412 0.727 20 30 ECEDLO CN(C(=O)c1cnsn1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047312271 763960484 /nfs/dbraw/zinc/96/04/84/763960484.db2.gz QYVVRSDBCOXUCF-GJZGRUSLSA-N 1 2 343.412 0.727 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC34CCOCC4)C2)CC1 ZINC001052131687 763962607 /nfs/dbraw/zinc/96/26/07/763962607.db2.gz WZXZDWGIYLYLEB-SJORKVTESA-N 1 2 331.460 0.655 20 30 ECEDLO Cc1nsc(NC[C@H](O)CNC(=O)CCn2cc[nH+]c2)c1C#N ZINC001106037640 764020056 /nfs/dbraw/zinc/02/00/56/764020056.db2.gz DZBGTKWYSZBAEE-LLVKDONJSA-N 1 2 334.405 0.499 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3coc(C)c3)C2)C1=O ZINC001047361156 764113258 /nfs/dbraw/zinc/11/32/58/764113258.db2.gz HBOOXYGBOFSWKH-JYJNAYRXSA-N 1 2 347.415 0.492 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3coc(C)c3)C2)C1=O ZINC001047361156 764113260 /nfs/dbraw/zinc/11/32/60/764113260.db2.gz HBOOXYGBOFSWKH-JYJNAYRXSA-N 1 2 347.415 0.492 20 30 ECEDLO CN(C(=O)c1ncc[nH]1)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047375169 764151581 /nfs/dbraw/zinc/15/15/81/764151581.db2.gz FZCQDGBBDJJUEY-STQMWFEESA-N 1 2 331.401 0.660 20 30 ECEDLO CN(C(=O)c1ncc[nH]1)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047375169 764151586 /nfs/dbraw/zinc/15/15/86/764151586.db2.gz FZCQDGBBDJJUEY-STQMWFEESA-N 1 2 331.401 0.660 20 30 ECEDLO Cn1cnnc1C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001052287607 764197447 /nfs/dbraw/zinc/19/74/47/764197447.db2.gz ICAMODWFBRPDCY-CYBMUJFWSA-N 1 2 327.392 0.799 20 30 ECEDLO Cn1cnnc1C[N@H+]1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001052287607 764197449 /nfs/dbraw/zinc/19/74/49/764197449.db2.gz ICAMODWFBRPDCY-CYBMUJFWSA-N 1 2 327.392 0.799 20 30 ECEDLO C=CCn1cc(C(=O)NCC2C[NH+](Cc3cccc(OC)n3)C2)nn1 ZINC001032034840 764219703 /nfs/dbraw/zinc/21/97/03/764219703.db2.gz GPNFYPIISAZYRQ-UHFFFAOYSA-N 1 2 342.403 0.730 20 30 ECEDLO C=CCn1cc(C(=O)NCC2C[NH+](Cc3ccnc(OC)n3)C2)nn1 ZINC001032035834 764224671 /nfs/dbraw/zinc/22/46/71/764224671.db2.gz NFRDBYFAPWPOLT-UHFFFAOYSA-N 1 2 343.391 0.125 20 30 ECEDLO Cn1ncc(C[N@@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)CC2)n1 ZINC001052314252 764234668 /nfs/dbraw/zinc/23/46/68/764234668.db2.gz HFJZLEGWUDKKQV-ZDUSSCGKSA-N 1 2 327.392 0.799 20 30 ECEDLO Cn1ncc(C[N@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)CC2)n1 ZINC001052314252 764234674 /nfs/dbraw/zinc/23/46/74/764234674.db2.gz HFJZLEGWUDKKQV-ZDUSSCGKSA-N 1 2 327.392 0.799 20 30 ECEDLO C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001052319669 764243744 /nfs/dbraw/zinc/24/37/44/764243744.db2.gz DPFSTTWIPHLTFK-WCQYABFASA-N 1 2 340.387 0.676 20 30 ECEDLO O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)c1ccc2nnnn2c1 ZINC001015255828 764251074 /nfs/dbraw/zinc/25/10/74/764251074.db2.gz BGPRRGDWWRBNOC-QGZVFWFLSA-N 1 2 346.394 0.980 20 30 ECEDLO O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)c1ccc2nnnn2c1 ZINC001015255828 764251080 /nfs/dbraw/zinc/25/10/80/764251080.db2.gz BGPRRGDWWRBNOC-QGZVFWFLSA-N 1 2 346.394 0.980 20 30 ECEDLO C=CCCn1cc(C(=O)NCC2C[NH+]([C@@H](C)C(=O)NC3CC3)C2)nn1 ZINC001032041899 764258639 /nfs/dbraw/zinc/25/86/39/764258639.db2.gz DQXAZDZRWKJYAC-LBPRGKRZSA-N 1 2 346.435 0.183 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)(F)F)no2)C1 ZINC001047418278 764282529 /nfs/dbraw/zinc/28/25/29/764282529.db2.gz KSSWDGHRHUBCTA-UWVGGRQHSA-N 1 2 331.294 0.834 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)(F)F)no2)C1 ZINC001047418278 764282536 /nfs/dbraw/zinc/28/25/36/764282536.db2.gz KSSWDGHRHUBCTA-UWVGGRQHSA-N 1 2 331.294 0.834 20 30 ECEDLO C=C[C@H](CC)CC(=O)NC[C@@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001106067470 764288942 /nfs/dbraw/zinc/28/89/42/764288942.db2.gz XCZCVGRODNYAOI-VXGBXAGGSA-N 1 2 332.408 0.855 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(C)(C)CCOC)C2)nn1 ZINC001098763549 764367516 /nfs/dbraw/zinc/36/75/16/764367516.db2.gz ZNNVGHPZHUFQPE-OAHLLOKOSA-N 1 2 333.436 0.837 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2nnnn2C)CC1 ZINC001052388642 764391200 /nfs/dbraw/zinc/39/12/00/764391200.db2.gz JRTQSIIGXQIMGK-KFWWJZLASA-N 1 2 348.451 0.662 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2nnnn2C)CC1 ZINC001052388642 764391206 /nfs/dbraw/zinc/39/12/06/764391206.db2.gz JRTQSIIGXQIMGK-KFWWJZLASA-N 1 2 348.451 0.662 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@H+]([C@@H](CC)C(N)=O)C[C@@H]2O)cc1 ZINC001047479890 764468950 /nfs/dbraw/zinc/46/89/50/764468950.db2.gz DCIMICNPGPUZTO-JYJNAYRXSA-N 1 2 329.400 0.049 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+]([C@@H](CC)C(N)=O)C[C@@H]2O)cc1 ZINC001047479890 764468957 /nfs/dbraw/zinc/46/89/57/764468957.db2.gz DCIMICNPGPUZTO-JYJNAYRXSA-N 1 2 329.400 0.049 20 30 ECEDLO C=C1CCC(C(=O)N(C)[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2O)CC1 ZINC001047514237 764557854 /nfs/dbraw/zinc/55/78/54/764557854.db2.gz WZKDHMQTMRETQQ-PMPSAXMXSA-N 1 2 335.448 0.467 20 30 ECEDLO C=C1CCC(C(=O)N(C)[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2O)CC1 ZINC001047514237 764557859 /nfs/dbraw/zinc/55/78/59/764557859.db2.gz WZKDHMQTMRETQQ-PMPSAXMXSA-N 1 2 335.448 0.467 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3coc(OC)n3)C2)C1=O ZINC001015412233 764563157 /nfs/dbraw/zinc/56/31/57/764563157.db2.gz JSDDKZUBADUYGW-YPMHNXCESA-N 1 2 334.376 0.274 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3coc(OC)n3)C2)C1=O ZINC001015412233 764563160 /nfs/dbraw/zinc/56/31/60/764563160.db2.gz JSDDKZUBADUYGW-YPMHNXCESA-N 1 2 334.376 0.274 20 30 ECEDLO C#CCCCC(=O)N1C[C@H](C)[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001052478371 764589335 /nfs/dbraw/zinc/58/93/35/764589335.db2.gz PJCPOABUMQOKOP-GJZGRUSLSA-N 1 2 330.432 0.977 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]nc(C)c2C(F)(F)F)C1 ZINC001047525543 764591517 /nfs/dbraw/zinc/59/15/17/764591517.db2.gz OFGQNGVRDAPHJZ-UWVGGRQHSA-N 1 2 330.310 0.487 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]nc(C)c2C(F)(F)F)C1 ZINC001047525543 764591524 /nfs/dbraw/zinc/59/15/24/764591524.db2.gz OFGQNGVRDAPHJZ-UWVGGRQHSA-N 1 2 330.310 0.487 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001047532297 764615118 /nfs/dbraw/zinc/61/51/18/764615118.db2.gz ZGXPZTXLTOZCKM-LZWOXQAQSA-N 1 2 344.415 0.488 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2cnoc2C)C[C@@H]1O ZINC001047561427 764696412 /nfs/dbraw/zinc/69/64/12/764696412.db2.gz JPYMQRNXSUCSHU-QAETUUGQSA-N 1 2 349.431 0.968 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2cnoc2C)C[C@@H]1O ZINC001047561427 764696415 /nfs/dbraw/zinc/69/64/15/764696415.db2.gz JPYMQRNXSUCSHU-QAETUUGQSA-N 1 2 349.431 0.968 20 30 ECEDLO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001052547374 764731300 /nfs/dbraw/zinc/73/13/00/764731300.db2.gz FJARTMLHTNHIKD-GDBMZVCRSA-N 1 2 342.443 0.977 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)[C@H]1C ZINC001089014732 764757309 /nfs/dbraw/zinc/75/73/09/764757309.db2.gz LAOCUAVVQXBWKW-KWCYVHTRSA-N 1 2 329.828 0.565 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)[C@H]1C ZINC001089014732 764757316 /nfs/dbraw/zinc/75/73/16/764757316.db2.gz LAOCUAVVQXBWKW-KWCYVHTRSA-N 1 2 329.828 0.565 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H](C)[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001052600252 764832424 /nfs/dbraw/zinc/83/24/24/764832424.db2.gz VHGAWKAPPWZMSB-GJZGRUSLSA-N 1 2 346.431 0.213 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)c1 ZINC001015512807 764843520 /nfs/dbraw/zinc/84/35/20/764843520.db2.gz WNNIIGUSAVYAJA-UONOGXRCSA-N 1 2 330.363 0.524 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)c1 ZINC001015512807 764843526 /nfs/dbraw/zinc/84/35/26/764843526.db2.gz WNNIIGUSAVYAJA-UONOGXRCSA-N 1 2 330.363 0.524 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+](Cc3nnnn3C)CC2)c1 ZINC001052694443 764998710 /nfs/dbraw/zinc/99/87/10/764998710.db2.gz SVFWTZJBFHRKEN-OAHLLOKOSA-N 1 2 339.403 0.371 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+](Cc3nnnn3C)CC2)c1 ZINC001052694443 764998711 /nfs/dbraw/zinc/99/87/11/764998711.db2.gz SVFWTZJBFHRKEN-OAHLLOKOSA-N 1 2 339.403 0.371 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+](Cc3cnn(C)n3)CC2)c1 ZINC001052693828 764998738 /nfs/dbraw/zinc/99/87/38/764998738.db2.gz LZPHAXFFRUXWJN-INIZCTEOSA-N 1 2 338.415 0.976 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+](Cc3cnn(C)n3)CC2)c1 ZINC001052693828 764998741 /nfs/dbraw/zinc/99/87/41/764998741.db2.gz LZPHAXFFRUXWJN-INIZCTEOSA-N 1 2 338.415 0.976 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC001015698672 765183840 /nfs/dbraw/zinc/18/38/40/765183840.db2.gz NUNYJRKBAMQBPT-XQQFMLRXSA-N 1 2 329.828 0.565 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC001015698672 765183845 /nfs/dbraw/zinc/18/38/45/765183845.db2.gz NUNYJRKBAMQBPT-XQQFMLRXSA-N 1 2 329.828 0.565 20 30 ECEDLO C=CCCOCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001052833138 765199969 /nfs/dbraw/zinc/19/99/69/765199969.db2.gz ISDMQBGQFIIUOR-CABCVRRESA-N 1 2 348.447 0.766 20 30 ECEDLO N#Cc1cc(C(=O)NCC2CC(NC(=O)Cc3c[nH]c[nH+]3)C2)c[nH]1 ZINC000992045853 765273885 /nfs/dbraw/zinc/27/38/85/765273885.db2.gz CBECEBGHFQIJBD-UHFFFAOYSA-N 1 2 326.360 0.477 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3nnnn3C)CC2)nc1 ZINC001052876462 765278545 /nfs/dbraw/zinc/27/85/45/765278545.db2.gz WZTALALSMSUTJL-AWEZNQCLSA-N 1 2 339.403 0.371 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3nnnn3C)CC2)nc1 ZINC001052876462 765278549 /nfs/dbraw/zinc/27/85/49/765278549.db2.gz WZTALALSMSUTJL-AWEZNQCLSA-N 1 2 339.403 0.371 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000992066986 765348292 /nfs/dbraw/zinc/34/82/92/765348292.db2.gz LYMFNSGVRRIDAP-CVEARBPZSA-N 1 2 346.431 0.661 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000992068097 765355395 /nfs/dbraw/zinc/35/53/95/765355395.db2.gz WAGNZGRBKSCOCE-CABCVRRESA-N 1 2 346.431 0.661 20 30 ECEDLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CNC(=O)C#CC1CC1 ZINC001053031155 765503792 /nfs/dbraw/zinc/50/37/92/765503792.db2.gz DOYBYAGTXDYJLV-DZGCQCFKSA-N 1 2 328.416 0.587 20 30 ECEDLO C=CCOCC(=O)NC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001053035247 765509916 /nfs/dbraw/zinc/50/99/16/765509916.db2.gz UNBQTGNQHFJYDR-UONOGXRCSA-N 1 2 334.420 0.376 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C3CC3)C2)nc1 ZINC001016025506 765728898 /nfs/dbraw/zinc/72/88/98/765728898.db2.gz YFDIBQGUXSKPGG-CQSZACIVSA-N 1 2 326.400 0.488 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C3CC3)C2)nc1 ZINC001016025506 765728902 /nfs/dbraw/zinc/72/89/02/765728902.db2.gz YFDIBQGUXSKPGG-CQSZACIVSA-N 1 2 326.400 0.488 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCCCC3)C2)cn1 ZINC001016025885 765730212 /nfs/dbraw/zinc/73/02/12/765730212.db2.gz BZEYLRFAAFTHDD-KRWDZBQOSA-N 1 2 340.427 0.880 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)cn1 ZINC001016025885 765730214 /nfs/dbraw/zinc/73/02/14/765730214.db2.gz BZEYLRFAAFTHDD-KRWDZBQOSA-N 1 2 340.427 0.880 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCOC2(C[NH+](C[C@H](O)Cc3ccccc3)C2)C1 ZINC001053192187 765740818 /nfs/dbraw/zinc/74/08/18/765740818.db2.gz XPPZVGNFDKZOAT-NVXWUHKLSA-N 1 2 343.427 0.663 20 30 ECEDLO O=C(Cn1cncn1)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001016185187 765882220 /nfs/dbraw/zinc/88/22/20/765882220.db2.gz PQASNGYNPYDAHY-INIZCTEOSA-N 1 2 327.363 0.659 20 30 ECEDLO O=C(Cn1cncn1)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001016185187 765882226 /nfs/dbraw/zinc/88/22/26/765882226.db2.gz PQASNGYNPYDAHY-INIZCTEOSA-N 1 2 327.363 0.659 20 30 ECEDLO C=CCCN1CC2(C1)CN(C(=O)c1cc(C[NH+](C)C)on1)CCO2 ZINC001053321287 765967978 /nfs/dbraw/zinc/96/79/78/765967978.db2.gz DIOGORSMRJAYJY-UHFFFAOYSA-N 1 2 334.420 0.839 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccnc3n[nH]nc31)CCO2 ZINC001053335306 765994509 /nfs/dbraw/zinc/99/45/09/765994509.db2.gz BVXIVQKNMKPKFC-UHFFFAOYSA-N 1 2 328.376 0.456 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCc3cncn3C)C2)nn1 ZINC001098778683 766145676 /nfs/dbraw/zinc/14/56/76/766145676.db2.gz ADRTYQSATNEHIX-INIZCTEOSA-N 1 2 341.419 0.141 20 30 ECEDLO C=CCn1cc(C(=O)N2CCOC3(C[NH+](CC[C@@H](C)F)C3)C2)nn1 ZINC001053464059 766176138 /nfs/dbraw/zinc/17/61/38/766176138.db2.gz XTELXIVRTAFJHZ-CYBMUJFWSA-N 1 2 337.399 0.739 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001016421553 766268042 /nfs/dbraw/zinc/26/80/42/766268042.db2.gz HQSBFLSUKQOSSU-UHFFFAOYSA-N 1 2 326.360 0.571 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccc(C(N)=O)cc1)CCO2 ZINC001053529458 766285322 /nfs/dbraw/zinc/28/53/22/766285322.db2.gz BEVYXUJXQKUCBR-UHFFFAOYSA-N 1 2 329.400 0.888 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001045777214 766357962 /nfs/dbraw/zinc/35/79/62/766357962.db2.gz GAQVRPPBQUTQLC-QGZVFWFLSA-N 1 2 348.447 0.645 20 30 ECEDLO CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C1 ZINC001212249216 766370053 /nfs/dbraw/zinc/37/00/53/766370053.db2.gz ZKSMPYXQKCNHLI-RRFJBIMHSA-N 1 2 337.464 0.766 20 30 ECEDLO CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](OC)C1 ZINC001212249216 766370063 /nfs/dbraw/zinc/37/00/63/766370063.db2.gz ZKSMPYXQKCNHLI-RRFJBIMHSA-N 1 2 337.464 0.766 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnn3ncccc13)O2 ZINC001053611796 766432383 /nfs/dbraw/zinc/43/23/83/766432383.db2.gz ZACGORPAHLANFZ-ZDUSSCGKSA-N 1 2 327.388 0.879 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCc3nccn3C1)O2 ZINC001053618904 766446688 /nfs/dbraw/zinc/44/66/88/766446688.db2.gz FZSGOSLCLNGASH-CABCVRRESA-N 1 2 330.432 0.981 20 30 ECEDLO Cn1ncc(C[NH+]2CCC3(C[C@H]3NC(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC001016563321 766509316 /nfs/dbraw/zinc/50/93/16/766509316.db2.gz XGJOZTKKWRSSBA-OAHLLOKOSA-N 1 2 339.403 0.799 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC3(C[NH+](CCOC)C3)O2)nc1 ZINC001053690591 766596611 /nfs/dbraw/zinc/59/66/11/766596611.db2.gz LJDGTQCARXLDGV-HNNXBMFYSA-N 1 2 329.400 0.673 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001212257539 766598446 /nfs/dbraw/zinc/59/84/46/766598446.db2.gz DKJFZHNFEJZWGI-APHBMKBZSA-N 1 2 347.440 0.973 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001212257539 766598449 /nfs/dbraw/zinc/59/84/49/766598449.db2.gz DKJFZHNFEJZWGI-APHBMKBZSA-N 1 2 347.440 0.973 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCc3nnc(C)n3C1)O2 ZINC001053701150 766622270 /nfs/dbraw/zinc/62/22/70/766622270.db2.gz NKKVUWXHXVFPEA-CABCVRRESA-N 1 2 345.447 0.685 20 30 ECEDLO CCc1noc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)n1 ZINC001046011766 766636742 /nfs/dbraw/zinc/63/67/42/766636742.db2.gz HGIAHCNAHCGZSA-KGLIPLIRSA-N 1 2 346.435 0.510 20 30 ECEDLO CCc1noc(C[N@H+]2CC[C@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)n1 ZINC001046011766 766636744 /nfs/dbraw/zinc/63/67/44/766636744.db2.gz HGIAHCNAHCGZSA-KGLIPLIRSA-N 1 2 346.435 0.510 20 30 ECEDLO Cc1ccnc(C[N@H+]2CC[C@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)n1 ZINC001046012567 766639991 /nfs/dbraw/zinc/63/99/91/766639991.db2.gz PMCMBYXWAYFJFV-ZBFHGGJFSA-N 1 2 342.447 0.663 20 30 ECEDLO Cc1ccnc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)n1 ZINC001046012567 766640001 /nfs/dbraw/zinc/64/00/01/766640001.db2.gz PMCMBYXWAYFJFV-ZBFHGGJFSA-N 1 2 342.447 0.663 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC(C)(C)C3)C2)C1=O ZINC001077560312 766653147 /nfs/dbraw/zinc/65/31/47/766653147.db2.gz YIIVKZVGEFHGDW-OWCLPIDISA-N 1 2 349.475 0.761 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC(C)(C)C3)C2)C1=O ZINC001077560312 766653148 /nfs/dbraw/zinc/65/31/48/766653148.db2.gz YIIVKZVGEFHGDW-OWCLPIDISA-N 1 2 349.475 0.761 20 30 ECEDLO O=C(C#CC1CC1)N1CCN([C@@H]2CC[N@H+](Cc3cnon3)C2)CC1 ZINC001046026028 766681190 /nfs/dbraw/zinc/68/11/90/766681190.db2.gz BBWUGPPCGXKNNK-MRXNPFEDSA-N 1 2 329.404 0.202 20 30 ECEDLO O=C(C#CC1CC1)N1CCN([C@@H]2CC[N@@H+](Cc3cnon3)C2)CC1 ZINC001046026028 766681192 /nfs/dbraw/zinc/68/11/92/766681192.db2.gz BBWUGPPCGXKNNK-MRXNPFEDSA-N 1 2 329.404 0.202 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cnn(C4CCC4)c3)CC2)C1 ZINC001046029896 766695631 /nfs/dbraw/zinc/69/56/31/766695631.db2.gz DWIOJRXCSVJPQH-QGZVFWFLSA-N 1 2 342.447 0.964 20 30 ECEDLO C[C@H](C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1)c1ccnn1C ZINC001046030785 766698476 /nfs/dbraw/zinc/69/84/76/766698476.db2.gz AZAIVQMYHDYNEO-LSDHHAIUSA-N 1 2 330.436 0.266 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)CCc3ccncc3)CC2)C1 ZINC001046039967 766745441 /nfs/dbraw/zinc/74/54/41/766745441.db2.gz BSDVSKZTAKZMHT-QGZVFWFLSA-N 1 2 327.432 0.756 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3ccn4ccnc4c3)CC2)C1 ZINC001046043796 766763631 /nfs/dbraw/zinc/76/36/31/766763631.db2.gz DIXYROHPPHHXHH-MRXNPFEDSA-N 1 2 338.415 0.690 20 30 ECEDLO Cc1cc(=O)oc(C)c1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046043815 766763909 /nfs/dbraw/zinc/76/39/09/766763909.db2.gz DTTAEPBMGDDLRQ-HNNXBMFYSA-N 1 2 344.415 0.612 20 30 ECEDLO Cc1nn(C)c(C)c1CC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046049649 766784081 /nfs/dbraw/zinc/78/40/81/766784081.db2.gz UKBRJDKPYFRJKB-MRXNPFEDSA-N 1 2 344.463 0.322 20 30 ECEDLO Cn1cnnc1C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21 ZINC001042001476 782583273 /nfs/dbraw/zinc/58/32/73/782583273.db2.gz YVHOGXUQAPDGBZ-UKRRQHHQSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1cnnc1C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21 ZINC001042001476 782583277 /nfs/dbraw/zinc/58/32/77/782583277.db2.gz YVHOGXUQAPDGBZ-UKRRQHHQSA-N 1 2 339.403 0.751 20 30 ECEDLO COc1cccnc1CC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046054366 766800734 /nfs/dbraw/zinc/80/07/34/766800734.db2.gz LSBHIFQIWHALJW-HNNXBMFYSA-N 1 2 343.431 0.375 20 30 ECEDLO COC1CCC(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)CC1 ZINC001046055534 766805309 /nfs/dbraw/zinc/80/53/09/766805309.db2.gz ZAQHNXOOVIKPQU-CGZBRXJRSA-N 1 2 334.464 0.934 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3ccc4cccnn43)CC2)C1 ZINC001046068633 766865028 /nfs/dbraw/zinc/86/50/28/766865028.db2.gz PLBJDJKDUZVMBW-INIZCTEOSA-N 1 2 338.415 0.690 20 30 ECEDLO CN(C(=O)Cc1c[nH+]cn1C)C1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001016766122 766879901 /nfs/dbraw/zinc/87/99/01/766879901.db2.gz LPTJAHOIMYNJIC-UHFFFAOYSA-N 1 2 340.387 0.582 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cn(C3CCC3)nn1)CO2 ZINC001053804102 766892301 /nfs/dbraw/zinc/89/23/01/766892301.db2.gz KRKXXODANYLNFC-ZDUSSCGKSA-N 1 2 329.404 0.600 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3ccc4nccn4c3)CC2)C1 ZINC001046076016 766901280 /nfs/dbraw/zinc/90/12/80/766901280.db2.gz AGSFGZMNYAYVTL-INIZCTEOSA-N 1 2 338.415 0.690 20 30 ECEDLO Cc1nsc(NC[C@@H](O)CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1C#N ZINC001106134996 766903849 /nfs/dbraw/zinc/90/38/49/766903849.db2.gz KVSRRFRPMJKBFE-CABZTGNLSA-N 1 2 348.432 0.814 20 30 ECEDLO Cc1nsc(NC[C@@H](O)CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1C#N ZINC001106134996 766903855 /nfs/dbraw/zinc/90/38/55/766903855.db2.gz KVSRRFRPMJKBFE-CABZTGNLSA-N 1 2 348.432 0.814 20 30 ECEDLO Cc1nsc(NC[C@@H](O)CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1C#N ZINC001106135061 766904005 /nfs/dbraw/zinc/90/40/05/766904005.db2.gz KVSRRFRPMJKBFE-SKDRFNHKSA-N 1 2 348.432 0.814 20 30 ECEDLO Cc1nsc(NC[C@@H](O)CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1C#N ZINC001106135061 766904010 /nfs/dbraw/zinc/90/40/10/766904010.db2.gz KVSRRFRPMJKBFE-SKDRFNHKSA-N 1 2 348.432 0.814 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3c[nH]c4ncccc34)CC2)C1 ZINC001046081522 766919163 /nfs/dbraw/zinc/91/91/63/766919163.db2.gz GUDSRNWNEVHYSV-AWEZNQCLSA-N 1 2 338.415 0.919 20 30 ECEDLO Cc1cc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)c(C)n1C ZINC001046081511 766919271 /nfs/dbraw/zinc/91/92/71/766919271.db2.gz GRDBIUDRSQQEOO-INIZCTEOSA-N 1 2 329.448 0.998 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)CCc3nccs3)CC2)C1 ZINC001046084100 766924471 /nfs/dbraw/zinc/92/44/71/766924471.db2.gz JSHXPPZIOJHKFX-CQSZACIVSA-N 1 2 333.461 0.818 20 30 ECEDLO CN(C)c1ncccc1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046084500 766924646 /nfs/dbraw/zinc/92/46/46/766924646.db2.gz QZODILUZBIVFHK-OAHLLOKOSA-N 1 2 342.447 0.503 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)NC2CN(C(=O)c3c[nH]c(C#N)c3)C2)c[nH+]1 ZINC000994841153 766926561 /nfs/dbraw/zinc/92/65/61/766926561.db2.gz YWLZHMFDHUVWDH-UHFFFAOYSA-N 1 2 340.387 0.767 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cn1cc(C3CC3)nn1)CO2 ZINC001053827410 766955911 /nfs/dbraw/zinc/95/59/11/766955911.db2.gz YRIACNHWWXHLGK-AWEZNQCLSA-N 1 2 331.420 0.691 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccnc3ccnn31)CO2 ZINC001053827500 766956037 /nfs/dbraw/zinc/95/60/37/766956037.db2.gz AWFOMNAHQHCQRL-CYBMUJFWSA-N 1 2 325.372 0.326 20 30 ECEDLO N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3)C2)c(F)c1 ZINC001078270752 782596762 /nfs/dbraw/zinc/59/67/62/782596762.db2.gz MEWPCCCSYQYITP-HZPDHXFCSA-N 1 2 343.362 0.255 20 30 ECEDLO C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn(C)c(C)cc1=O)CO2 ZINC001053835394 766976021 /nfs/dbraw/zinc/97/60/21/766976021.db2.gz IPRNZUVKIONJAV-CQSZACIVSA-N 1 2 331.416 0.843 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2COCCO2)C1 ZINC001046152567 766982293 /nfs/dbraw/zinc/98/22/93/766982293.db2.gz LFLXQBYGVJHCIX-DGCLKSJQSA-N 1 2 333.226 0.891 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2COCCO2)C1 ZINC001046152567 766982299 /nfs/dbraw/zinc/98/22/99/766982299.db2.gz LFLXQBYGVJHCIX-DGCLKSJQSA-N 1 2 333.226 0.891 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc3n(n1)CCCC3)CO2 ZINC001053839488 766985812 /nfs/dbraw/zinc/98/58/12/766985812.db2.gz HAMMRIZXEMVMEC-AWEZNQCLSA-N 1 2 328.416 0.816 20 30 ECEDLO C=C(C)CN1CC2(C1)C[C@H](NC(=O)c1cc(C[NH+](C)C)on1)CO2 ZINC001053854265 767029727 /nfs/dbraw/zinc/02/97/27/767029727.db2.gz URIWFFIDUYIJSB-ZDUSSCGKSA-N 1 2 334.420 0.885 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCN(C(C)=O)C1)CO2 ZINC001053864597 767067629 /nfs/dbraw/zinc/06/76/29/767067629.db2.gz FLOYTFRWSJUQFJ-HOTGVXAUSA-N 1 2 333.432 0.228 20 30 ECEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1OC ZINC001212321020 767213264 /nfs/dbraw/zinc/21/32/64/767213264.db2.gz OKBMNKVLUKTWPI-HZPDHXFCSA-N 1 2 335.448 0.849 20 30 ECEDLO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1OC ZINC001212321020 767213268 /nfs/dbraw/zinc/21/32/68/767213268.db2.gz OKBMNKVLUKTWPI-HZPDHXFCSA-N 1 2 335.448 0.849 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnn3cccnc13)CO2 ZINC001053889245 767231368 /nfs/dbraw/zinc/23/13/68/767231368.db2.gz FPGRXPWPACRDBZ-ZDUSSCGKSA-N 1 2 327.388 0.879 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCNC2=O)C1 ZINC001046537383 767287812 /nfs/dbraw/zinc/28/78/12/767287812.db2.gz NYBASWPZRIKBCC-MFKMUULPSA-N 1 2 330.226 0.612 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCNC2=O)C1 ZINC001046537383 767287813 /nfs/dbraw/zinc/28/78/13/767287813.db2.gz NYBASWPZRIKBCC-MFKMUULPSA-N 1 2 330.226 0.612 20 30 ECEDLO Cn1nnc(C(=O)N[C@@]2(C)CC[N@H+](Cc3cc(C#N)ccc3F)C2)n1 ZINC001046542775 767293338 /nfs/dbraw/zinc/29/33/38/767293338.db2.gz AXJKSSBKQLZKCO-INIZCTEOSA-N 1 2 343.366 0.615 20 30 ECEDLO Cn1nnc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3cc(C#N)ccc3F)C2)n1 ZINC001046542775 767293339 /nfs/dbraw/zinc/29/33/39/767293339.db2.gz AXJKSSBKQLZKCO-INIZCTEOSA-N 1 2 343.366 0.615 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2COC3(C[NH+]([C@@H](C)COC)C3)C2)c1 ZINC001053918857 767356792 /nfs/dbraw/zinc/35/67/92/767356792.db2.gz XLHSMQVDQIHFDN-BBRMVZONSA-N 1 2 329.400 0.671 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nnn(CC)c1CC)CO2 ZINC001053923155 767368815 /nfs/dbraw/zinc/36/88/15/767368815.db2.gz OUGLTTPWXCSXSO-CYBMUJFWSA-N 1 2 331.420 0.457 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C)c(C(N)=O)cn1)CO2 ZINC001053929539 767390315 /nfs/dbraw/zinc/39/03/15/767390315.db2.gz CAJYRSVBPDGOMA-ZDUSSCGKSA-N 1 2 344.415 0.638 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CCS(C)(=O)=O)C1 ZINC001046631595 767403039 /nfs/dbraw/zinc/40/30/39/767403039.db2.gz HOXXYHFVWHBDDO-IPYPFGDCSA-N 1 2 330.450 0.203 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001046631595 767403043 /nfs/dbraw/zinc/40/30/43/767403043.db2.gz HOXXYHFVWHBDDO-IPYPFGDCSA-N 1 2 330.450 0.203 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)NC[C@H](O)CNc2nccnc2C#N)c[nH+]1 ZINC001106160231 767414527 /nfs/dbraw/zinc/41/45/27/767414527.db2.gz YKCPLMGEBSCCNU-GFCCVEGCSA-N 1 2 343.391 0.178 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cn1ccc(C)cc1=O)CO2 ZINC001053944681 767418535 /nfs/dbraw/zinc/41/85/35/767418535.db2.gz FWJGWHPRSTUWPG-HNNXBMFYSA-N 1 2 331.416 0.692 20 30 ECEDLO N#Cc1cnc(NC[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c(F)c1 ZINC001106158456 767424538 /nfs/dbraw/zinc/42/45/38/767424538.db2.gz TZMHGQUKCDAEGH-QJPTWQEYSA-N 1 2 344.350 0.508 20 30 ECEDLO N#Cc1cnc(NC[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c(F)c1 ZINC001106158456 767424543 /nfs/dbraw/zinc/42/45/43/767424543.db2.gz TZMHGQUKCDAEGH-QJPTWQEYSA-N 1 2 344.350 0.508 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)NC[C@H](O)CNc1ccc(C#N)nc1 ZINC001106172063 767471310 /nfs/dbraw/zinc/47/13/10/767471310.db2.gz QUXZQYSTENAQAH-OAHLLOKOSA-N 1 2 341.371 0.489 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3nnc(C)n3C1)CO2 ZINC001054014468 767600788 /nfs/dbraw/zinc/60/07/88/767600788.db2.gz BHYOWBIKJDEMQJ-HUUCEWRRSA-N 1 2 345.447 0.685 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc(C(N)=O)n1)CO2 ZINC001054020934 767615003 /nfs/dbraw/zinc/61/50/03/767615003.db2.gz XQZUGBCEGGXFFS-GFCCVEGCSA-N 1 2 330.388 0.330 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1c(OC)ncnc1OC)CO2 ZINC001054021576 767615855 /nfs/dbraw/zinc/61/58/55/767615855.db2.gz OMRVJFIXZCEGHS-LBPRGKRZSA-N 1 2 348.403 0.643 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc(C(N)=O)nc1 ZINC001054061401 767659707 /nfs/dbraw/zinc/65/97/07/767659707.db2.gz ZBCWOTMVORSBQE-KRWDZBQOSA-N 1 2 348.406 0.970 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc(C(N)=O)nc1 ZINC001054061401 767659711 /nfs/dbraw/zinc/65/97/11/767659711.db2.gz ZBCWOTMVORSBQE-KRWDZBQOSA-N 1 2 348.406 0.970 20 30 ECEDLO C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2 ZINC000992897795 767769754 /nfs/dbraw/zinc/76/97/54/767769754.db2.gz IJJLACSWSCNWMI-MAUKXSAKSA-N 1 2 326.400 0.603 20 30 ECEDLO C=CCCn1cc(C(=O)NC2CN(Cc3cc(OC)cc[nH+]3)C2)nn1 ZINC001031075368 767815738 /nfs/dbraw/zinc/81/57/38/767815738.db2.gz HHHLKLFIKZUQRT-UHFFFAOYSA-N 1 2 342.403 0.872 20 30 ECEDLO C=CCOCCCC(=O)N1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001055271686 768728100 /nfs/dbraw/zinc/72/81/00/768728100.db2.gz OCJIKVAMMJZWSC-IYBDPMFKSA-N 1 2 346.431 0.783 20 30 ECEDLO C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001018240247 768947164 /nfs/dbraw/zinc/94/71/64/768947164.db2.gz VAJKDHOYNVECQU-OCCSQVGLSA-N 1 2 340.387 0.892 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(-c3cccnc3)on2)[C@@H](O)C1 ZINC001083740036 768970449 /nfs/dbraw/zinc/97/04/49/768970449.db2.gz KIOLMZQANKESNG-CABCVRRESA-N 1 2 326.356 0.535 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(-c3cccnc3)on2)[C@@H](O)C1 ZINC001083740036 768970457 /nfs/dbraw/zinc/97/04/57/768970457.db2.gz KIOLMZQANKESNG-CABCVRRESA-N 1 2 326.356 0.535 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)CC2CC2)C1 ZINC000993629956 769442139 /nfs/dbraw/zinc/44/21/39/769442139.db2.gz DXWILJOCJZJWGZ-IACUBPJLSA-N 1 2 329.404 0.790 20 30 ECEDLO CN(C)c1noc(C[NH2+][C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001018681749 769755028 /nfs/dbraw/zinc/75/50/28/769755028.db2.gz HJABQSDJILNIPF-NSHDSACASA-N 1 2 329.364 0.340 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)[C@H]2C)cc1 ZINC000993932390 769847946 /nfs/dbraw/zinc/84/79/46/769847946.db2.gz HKMDTGQAPDWYRO-BBRMVZONSA-N 1 2 329.400 0.767 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)[C@H]2C)cc1 ZINC000993932390 769847952 /nfs/dbraw/zinc/84/79/52/769847952.db2.gz HKMDTGQAPDWYRO-BBRMVZONSA-N 1 2 329.400 0.767 20 30 ECEDLO C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001055825215 769865922 /nfs/dbraw/zinc/86/59/22/769865922.db2.gz CCBMIOWWINDACI-KRWDZBQOSA-N 1 2 334.420 0.778 20 30 ECEDLO C=CCCC(=O)N[C@@]1(CO)CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001055825215 769865936 /nfs/dbraw/zinc/86/59/36/769865936.db2.gz CCBMIOWWINDACI-KRWDZBQOSA-N 1 2 334.420 0.778 20 30 ECEDLO C#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001055910996 770181861 /nfs/dbraw/zinc/18/18/61/770181861.db2.gz VPBZKLADMAWKOE-GOSISDBHSA-N 1 2 346.431 0.236 20 30 ECEDLO CC(C)C#CC(=O)N[C@@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001055935139 770279517 /nfs/dbraw/zinc/27/95/17/770279517.db2.gz OCEHFMMHGPLCBX-KRWDZBQOSA-N 1 2 332.404 0.012 20 30 ECEDLO N#Cc1cnc(N2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)cn1 ZINC001055940103 770297722 /nfs/dbraw/zinc/29/77/22/770297722.db2.gz FLSBWYVVQPTTJU-CYBMUJFWSA-N 1 2 337.387 0.456 20 30 ECEDLO N#Cc1nccnc1N1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001055940822 770301469 /nfs/dbraw/zinc/30/14/69/770301469.db2.gz SPRYGIGVIRLUCB-CYBMUJFWSA-N 1 2 337.387 0.456 20 30 ECEDLO N#Cc1cc(C(=O)N2CC3(C2)CCN(C(=O)Cc2c[nH+]c[nH]2)C3)c[nH]1 ZINC001018957640 770387643 /nfs/dbraw/zinc/38/76/43/770387643.db2.gz WOALTOGADSMXNS-UHFFFAOYSA-N 1 2 338.371 0.527 20 30 ECEDLO C=CCCCC(=O)N1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001055998182 770501696 /nfs/dbraw/zinc/50/16/96/770501696.db2.gz OYXGYKXUTOBMIQ-QGZVFWFLSA-N 1 2 334.420 0.709 20 30 ECEDLO CCN(CCNc1ccnc(C#N)n1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001106878915 770517420 /nfs/dbraw/zinc/51/74/20/770517420.db2.gz COJIVMIRYXKYCW-ZDUSSCGKSA-N 1 2 339.403 0.490 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN(c2ccc(C#N)nn2)CC1 ZINC001056025120 770600282 /nfs/dbraw/zinc/60/02/82/770600282.db2.gz YPPIILWMXMDMOB-ZIAGYGMSSA-N 1 2 337.387 0.534 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001046964056 770633665 /nfs/dbraw/zinc/63/36/65/770633665.db2.gz YHHHYTQOARTQPO-WDEREUQCSA-N 1 2 335.782 0.948 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001046964056 770633671 /nfs/dbraw/zinc/63/36/71/770633671.db2.gz YHHHYTQOARTQPO-WDEREUQCSA-N 1 2 335.782 0.948 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ncnc3[nH]cnc32)CC1 ZINC001056067319 770731494 /nfs/dbraw/zinc/73/14/94/770731494.db2.gz DWNSWAWQEJYLBZ-ZDUSSCGKSA-N 1 2 339.403 0.099 20 30 ECEDLO C#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001056080772 770781306 /nfs/dbraw/zinc/78/13/06/770781306.db2.gz XWUDQXWHBNOYKN-QGZVFWFLSA-N 1 2 332.404 0.225 20 30 ECEDLO COCc1noc(C[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCCO2)n1 ZINC001078398363 782870537 /nfs/dbraw/zinc/87/05/37/782870537.db2.gz NNRXEAMUCVCSAG-CQSZACIVSA-N 1 2 348.403 0.337 20 30 ECEDLO Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2[nH]cc[nH+]2)c1C#N ZINC001056276123 771072573 /nfs/dbraw/zinc/07/25/73/771072573.db2.gz LCHGBJARJAFKKL-YABSGUDNSA-N 1 2 328.401 0.840 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056313499 771109617 /nfs/dbraw/zinc/10/96/17/771109617.db2.gz BKYJKIWGJHZAOE-HUUCEWRRSA-N 1 2 332.404 0.747 20 30 ECEDLO N#Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCn3cc[nH+]c3C2)nn1 ZINC001056333719 771140004 /nfs/dbraw/zinc/14/00/04/771140004.db2.gz PSVNCDPJVPFDMP-CVGURMSBSA-N 1 2 349.398 0.358 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@H]([NH2+]Cc3nc(CC(=O)NC)no3)C2)C1 ZINC001019352357 771192208 /nfs/dbraw/zinc/19/22/08/771192208.db2.gz NNYKKGMDFPKYCA-LBPRGKRZSA-N 1 2 347.419 0.405 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)[nH]1 ZINC000994604241 771289828 /nfs/dbraw/zinc/28/98/28/771289828.db2.gz FOIRBLLGAHEUHY-LLVKDONJSA-N 1 2 338.371 0.286 20 30 ECEDLO Nc1nccnc1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031588576 771351858 /nfs/dbraw/zinc/35/18/58/771351858.db2.gz LLIXZUPYULTNTA-UHFFFAOYSA-N 1 2 339.374 0.911 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056527873 771355634 /nfs/dbraw/zinc/35/56/34/771355634.db2.gz XEZWYKUJMAJTJK-KBPBESRZSA-N 1 2 332.404 0.747 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056527875 771355683 /nfs/dbraw/zinc/35/56/83/771355683.db2.gz XEZWYKUJMAJTJK-UONOGXRCSA-N 1 2 332.404 0.747 20 30 ECEDLO Cc1c(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)nnn1C ZINC001031592314 771357913 /nfs/dbraw/zinc/35/79/13/771357913.db2.gz GUTYPDFDABEZKP-UHFFFAOYSA-N 1 2 341.390 0.976 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056572674 771393538 /nfs/dbraw/zinc/39/35/38/771393538.db2.gz MPKLRWVUFTXJRS-MPGHIAIKSA-N 1 2 346.431 0.871 20 30 ECEDLO COc1nccc(C[NH+]2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001031620232 771473158 /nfs/dbraw/zinc/47/31/58/771473158.db2.gz DVOVGGHYOOXRDA-UHFFFAOYSA-N 1 2 326.360 0.547 20 30 ECEDLO CN1CCOC[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031621697 771482434 /nfs/dbraw/zinc/48/24/34/771482434.db2.gz MPRIWAIAWWAJAT-SFHVURJKSA-N 1 2 327.428 0.417 20 30 ECEDLO N#Cc1cc(C(=O)NCC2C[NH+](CC(=O)NC3CCCC3)C2)c[nH]1 ZINC001031622462 771483114 /nfs/dbraw/zinc/48/31/14/771483114.db2.gz LASMEVJIFKYNPE-UHFFFAOYSA-N 1 2 329.404 0.607 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001056666166 771489057 /nfs/dbraw/zinc/48/90/57/771489057.db2.gz GJFUFEPWDLYVRB-GOEBONIOSA-N 1 2 344.415 0.442 20 30 ECEDLO Cn1ncc(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)c1N ZINC001031629259 771527254 /nfs/dbraw/zinc/52/72/54/771527254.db2.gz MZRKZXFKVCLKGK-UHFFFAOYSA-N 1 2 342.378 0.875 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1C[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001056707800 771538293 /nfs/dbraw/zinc/53/82/93/771538293.db2.gz XWNDWMUXFOOBKT-QLFBSQMISA-N 1 2 346.431 0.993 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H](n2cc(CNCc3c[nH+]cn3C)nn2)C1 ZINC001089579799 771564644 /nfs/dbraw/zinc/56/46/44/771564644.db2.gz IIUXNRJYHVNKTH-OCCSQVGLSA-N 1 2 342.407 0.234 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001019882799 771956044 /nfs/dbraw/zinc/95/60/44/771956044.db2.gz OAKRJWDIDASNIK-HZPDHXFCSA-N 1 2 342.399 0.125 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](N(C)c2ccnc(C#N)n2)C1 ZINC001057046930 771992717 /nfs/dbraw/zinc/99/27/17/771992717.db2.gz JUFXZXSCFPAOSN-OCCSQVGLSA-N 1 2 339.403 0.987 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](N(C)c2ccnc(C#N)n2)C1 ZINC001057046930 771992720 /nfs/dbraw/zinc/99/27/20/771992720.db2.gz JUFXZXSCFPAOSN-OCCSQVGLSA-N 1 2 339.403 0.987 20 30 ECEDLO O=C(C#CC1CC1)N1CCO[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001019930745 772037532 /nfs/dbraw/zinc/03/75/32/772037532.db2.gz UOIXFACIMXMTON-HZPDHXFCSA-N 1 2 342.399 0.194 20 30 ECEDLO C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001057172630 772213184 /nfs/dbraw/zinc/21/31/84/772213184.db2.gz LIRIEALJBRKLGU-AWEZNQCLSA-N 1 2 348.447 0.726 20 30 ECEDLO C=CCCC(=O)N(CCO)CCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001057172630 772213189 /nfs/dbraw/zinc/21/31/89/772213189.db2.gz LIRIEALJBRKLGU-AWEZNQCLSA-N 1 2 348.447 0.726 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2nnc(CC)[nH]2)C1 ZINC001020250337 772350060 /nfs/dbraw/zinc/35/00/60/772350060.db2.gz CCWATJOFDWSTNJ-TUVASFSCSA-N 1 2 344.463 0.763 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC(CNc2cnc(C#N)cn2)CC1 ZINC001057505620 772695231 /nfs/dbraw/zinc/69/52/31/772695231.db2.gz CPIAZSUFSJXCDA-UHFFFAOYSA-N 1 2 339.403 0.975 20 30 ECEDLO Cc1cc(C)c(C(=O)NCCN(CCO)C(=O)C#CC2CC2)c(C)[nH+]1 ZINC001057533055 772728063 /nfs/dbraw/zinc/72/80/63/772728063.db2.gz HOFWEOHAASHEKV-UHFFFAOYSA-N 1 2 343.427 0.971 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)NCCN(CCO)C(=O)C#CC2CC2)c[nH+]1 ZINC001057538003 772733208 /nfs/dbraw/zinc/73/32/08/772733208.db2.gz SFBXNRMFUVJAQD-UHFFFAOYSA-N 1 2 346.431 0.277 20 30 ECEDLO C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001057806533 773005964 /nfs/dbraw/zinc/00/59/64/773005964.db2.gz HZCHUBTYLRIEOQ-HNNXBMFYSA-N 1 2 348.447 0.739 20 30 ECEDLO C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001057806761 773006095 /nfs/dbraw/zinc/00/60/95/773006095.db2.gz QEVOVNISEMMNEX-AWEZNQCLSA-N 1 2 336.436 0.882 20 30 ECEDLO C=C(C)CCC(=O)N(CCO)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001057806761 773006099 /nfs/dbraw/zinc/00/60/99/773006099.db2.gz QEVOVNISEMMNEX-AWEZNQCLSA-N 1 2 336.436 0.882 20 30 ECEDLO C#CCC1(C(=O)NCC[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001076833817 783068088 /nfs/dbraw/zinc/06/80/88/783068088.db2.gz SXINWMGJZQNZHU-AWEZNQCLSA-N 1 2 346.431 0.783 20 30 ECEDLO CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001057946462 773247658 /nfs/dbraw/zinc/24/76/58/773247658.db2.gz CYKZGGKRWMGTOJ-OAHLLOKOSA-N 1 2 346.431 0.042 20 30 ECEDLO CN(C(=O)Cc1[nH]cc[nH+]1)C1CCN(c2ccc(C#N)nn2)CC1 ZINC001058061881 773457318 /nfs/dbraw/zinc/45/73/18/773457318.db2.gz VYNXDBYUMNIZFT-UHFFFAOYSA-N 1 2 325.376 0.741 20 30 ECEDLO Cc1cc(C#N)nc(N2CCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001058246752 773836449 /nfs/dbraw/zinc/83/64/49/773836449.db2.gz ANKBCGSRLGRXQU-GFCCVEGCSA-N 1 2 325.376 0.708 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001040625394 783129338 /nfs/dbraw/zinc/12/93/38/783129338.db2.gz MZLZUDJVXXKULC-SCLBCKFNSA-N 1 2 348.447 0.943 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N(CCO)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001058286274 773920011 /nfs/dbraw/zinc/92/00/11/773920011.db2.gz IEXDHRCOIZLSTN-UHFFFAOYSA-N 1 2 336.436 0.882 20 30 ECEDLO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001058303682 773938415 /nfs/dbraw/zinc/93/84/15/773938415.db2.gz GNPZPZXEJNIYTN-CQSZACIVSA-N 1 2 348.447 0.595 20 30 ECEDLO C=C1CC(C)(C(=O)NCCN(CCO)C(=O)CCc2c[nH+]cn2C)C1 ZINC001058366788 774039561 /nfs/dbraw/zinc/03/95/61/774039561.db2.gz SFORGOYWTTVMBE-UHFFFAOYSA-N 1 2 348.447 0.646 20 30 ECEDLO C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CN1c1cncc(C#N)n1 ZINC001039817432 783145792 /nfs/dbraw/zinc/14/57/92/783145792.db2.gz ALVRPSASCZJMPB-VXGBXAGGSA-N 1 2 325.376 0.788 20 30 ECEDLO C=CC(C)(C)CC(=O)NC[C@]1(O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001039818574 783147173 /nfs/dbraw/zinc/14/71/73/783147173.db2.gz HBDVCZCVLXRTSS-QGZVFWFLSA-N 1 2 334.420 0.565 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCN(c2ncc(C#N)cc2F)C1 ZINC001058403704 774114853 /nfs/dbraw/zinc/11/48/53/774114853.db2.gz WHWZRMWZBDMHIS-GFCCVEGCSA-N 1 2 328.351 0.763 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001058435086 774173535 /nfs/dbraw/zinc/17/35/35/774173535.db2.gz DKMOZRYNPXBRTQ-ZIAGYGMSSA-N 1 2 336.436 0.738 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)Cc1c[nH+]cn1C ZINC001058436229 774176529 /nfs/dbraw/zinc/17/65/29/774176529.db2.gz YRBJEAHJZZSACE-KBPBESRZSA-N 1 2 336.436 0.358 20 30 ECEDLO N#Cc1nccnc1N1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001058475020 774257714 /nfs/dbraw/zinc/25/77/14/774257714.db2.gz YGYUPXXBPXVIDN-STQMWFEESA-N 1 2 337.387 0.502 20 30 ECEDLO C=CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001058623309 774560675 /nfs/dbraw/zinc/56/06/75/774560675.db2.gz NTBMFNYFCIXDKN-HNNXBMFYSA-N 1 2 348.447 0.739 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001045054690 774904166 /nfs/dbraw/zinc/90/41/66/774904166.db2.gz FGJNEYKCFNJOAM-CYBMUJFWSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001045068640 774928187 /nfs/dbraw/zinc/92/81/87/774928187.db2.gz IXSYEJDEWZZUAB-CYBMUJFWSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001045068640 774928189 /nfs/dbraw/zinc/92/81/89/774928189.db2.gz IXSYEJDEWZZUAB-CYBMUJFWSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001045069608 774929726 /nfs/dbraw/zinc/92/97/26/774929726.db2.gz YAULXKSUTSFMPH-UONOGXRCSA-N 1 2 348.447 0.880 20 30 ECEDLO C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001045069608 774929729 /nfs/dbraw/zinc/92/97/29/774929729.db2.gz YAULXKSUTSFMPH-UONOGXRCSA-N 1 2 348.447 0.880 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001045233225 775191599 /nfs/dbraw/zinc/19/15/99/775191599.db2.gz MQCLPSYAQGXSAD-DZKIICNBSA-N 1 2 348.451 0.662 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cccnc2OC)[C@@H](n2ccnn2)C1 ZINC001070016712 790335955 /nfs/dbraw/zinc/33/59/55/790335955.db2.gz ZTVYRARRSUDOJP-KGLIPLIRSA-N 1 2 328.376 0.523 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cccnc2OC)[C@@H](n2ccnn2)C1 ZINC001070016712 790335969 /nfs/dbraw/zinc/33/59/69/790335969.db2.gz ZTVYRARRSUDOJP-KGLIPLIRSA-N 1 2 328.376 0.523 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001044011316 775507928 /nfs/dbraw/zinc/50/79/28/775507928.db2.gz NBZMGOYWKQDJPE-UHFFFAOYSA-N 1 2 334.420 0.254 20 30 ECEDLO C=CCn1cc(C(=O)N(C)C2C[NH+](CCCN3CCCC3=O)C2)nn1 ZINC001044022495 775534348 /nfs/dbraw/zinc/53/43/48/775534348.db2.gz NTLNDFUCVZFYRP-UHFFFAOYSA-N 1 2 346.435 0.233 20 30 ECEDLO C=CCCCC(=O)NCC1(O)CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001045463003 775648197 /nfs/dbraw/zinc/64/81/97/775648197.db2.gz TYCWUPKAPLXUFV-UHFFFAOYSA-N 1 2 348.447 0.972 20 30 ECEDLO CN(C(=O)Cc1nnc[nH]1)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001044163222 775827626 /nfs/dbraw/zinc/82/76/26/775827626.db2.gz NHMIEYIQDXGPBB-UHFFFAOYSA-N 1 2 340.387 0.592 20 30 ECEDLO C#Cc1ccc(C(=O)NC2(C)CC[NH+](Cc3cnn(C)n3)CC2)cn1 ZINC001045623437 775911398 /nfs/dbraw/zinc/91/13/98/775911398.db2.gz RETMIHVYXSOXBQ-UHFFFAOYSA-N 1 2 338.415 0.976 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001044323201 776152912 /nfs/dbraw/zinc/15/29/12/776152912.db2.gz GGSFFJCMNWRSLZ-UHFFFAOYSA-N 1 2 332.404 0.306 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](CC=C)C[C@@H]2n2ccnn2)nn1 ZINC001070048327 790446582 /nfs/dbraw/zinc/44/65/82/790446582.db2.gz LDCOETNUWVQLAE-HIFRSBDPSA-N 1 2 342.407 0.287 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CC=C)C[C@@H]2n2ccnn2)nn1 ZINC001070048327 790446587 /nfs/dbraw/zinc/44/65/87/790446587.db2.gz LDCOETNUWVQLAE-HIFRSBDPSA-N 1 2 342.407 0.287 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001079777670 776854924 /nfs/dbraw/zinc/85/49/24/776854924.db2.gz CQMFPFBGTPBLKT-CYBMUJFWSA-N 1 2 332.404 0.440 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001079777670 776854934 /nfs/dbraw/zinc/85/49/34/776854934.db2.gz CQMFPFBGTPBLKT-CYBMUJFWSA-N 1 2 332.404 0.440 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2nnn(C(C)C)c2C)[C@@H](n2ccnn2)C1 ZINC001070065639 790489727 /nfs/dbraw/zinc/48/97/27/790489727.db2.gz BGCSQOBJLVOYOD-KGLIPLIRSA-N 1 2 342.407 0.047 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2nnn(C(C)C)c2C)[C@@H](n2ccnn2)C1 ZINC001070065639 790489733 /nfs/dbraw/zinc/48/97/33/790489733.db2.gz BGCSQOBJLVOYOD-KGLIPLIRSA-N 1 2 342.407 0.047 20 30 ECEDLO CCN(C(=O)[C@@H](C1CC1)[NH+]1CCOCC1)C1CN(C(=O)[C@@H](C)C#N)C1 ZINC001079868341 777001273 /nfs/dbraw/zinc/00/12/73/777001273.db2.gz JYDQPJFSOHMTAT-XJKSGUPXSA-N 1 2 348.447 0.316 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001079985124 777193438 /nfs/dbraw/zinc/19/34/38/777193438.db2.gz YUOCUDPOEOGDOO-LDYMZIIASA-N 1 2 347.824 0.730 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001079985124 777193442 /nfs/dbraw/zinc/19/34/42/777193442.db2.gz YUOCUDPOEOGDOO-LDYMZIIASA-N 1 2 347.824 0.730 20 30 ECEDLO CCN(C(=O)CCc1c[nH+]cn1C)C1CN(C(=O)C#CC2CC2)C1 ZINC001080247324 777605756 /nfs/dbraw/zinc/60/57/56/777605756.db2.gz YFHFRDHVQNUUIW-UHFFFAOYSA-N 1 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C=CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001043624782 778616251 /nfs/dbraw/zinc/61/62/51/778616251.db2.gz SQDQQJVXBAKSSE-AWEZNQCLSA-N 1 2 346.431 0.491 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1Nc1cncc(C#N)n1 ZINC001043647570 778661467 /nfs/dbraw/zinc/66/14/67/778661467.db2.gz ZSOXVGGJKGSHRT-TZMCWYRMSA-N 1 2 339.403 0.973 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CC(CC)CC)C1 ZINC001043649154 778665107 /nfs/dbraw/zinc/66/51/07/778665107.db2.gz MMHYVAGCWKOMIH-INIZCTEOSA-N 1 2 349.475 0.600 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CC(CC)CC)C1 ZINC001043649154 778665112 /nfs/dbraw/zinc/66/51/12/778665112.db2.gz MMHYVAGCWKOMIH-INIZCTEOSA-N 1 2 349.475 0.600 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CN(c3cc[nH+]c(C)n3)C[C@H]2C)nn1 ZINC001042563139 780446104 /nfs/dbraw/zinc/44/61/04/780446104.db2.gz ODGDLNNMNNIMGP-DGCLKSJQSA-N 1 2 327.392 0.817 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001078757748 780451386 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ZINC001070948454 784197667 /nfs/dbraw/zinc/19/76/67/784197667.db2.gz MVZMEFCPTNBLKN-UHFFFAOYSA-N 1 2 331.420 0.016 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cn(C)nc2C)CC1 ZINC001070948454 784197669 /nfs/dbraw/zinc/19/76/69/784197669.db2.gz MVZMEFCPTNBLKN-UHFFFAOYSA-N 1 2 331.420 0.016 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2cnn(CC)c2)CC1 ZINC001070949644 784200720 /nfs/dbraw/zinc/20/07/20/784200720.db2.gz PIOSARJRWICRIN-UHFFFAOYSA-N 1 2 333.436 0.743 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2cnn(CC)c2)CC1 ZINC001070949644 784200722 /nfs/dbraw/zinc/20/07/22/784200722.db2.gz PIOSARJRWICRIN-UHFFFAOYSA-N 1 2 333.436 0.743 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)C2CCC(O)CC2)CC1 ZINC001070958629 784228182 /nfs/dbraw/zinc/22/81/82/784228182.db2.gz KLBNRJPBPMRGFV-UHFFFAOYSA-N 1 2 337.464 0.764 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)C2CCC(O)CC2)CC1 ZINC001070958629 784228190 /nfs/dbraw/zinc/22/81/90/784228190.db2.gz KLBNRJPBPMRGFV-UHFFFAOYSA-N 1 2 337.464 0.764 20 30 ECEDLO C#CC[NH2+][C@@H]1CN(C(=O)c2ccc3[nH]nnc3c2)C[C@H]1c1cn(C)cn1 ZINC001070561707 784278727 /nfs/dbraw/zinc/27/87/27/784278727.db2.gz GDAPXYMFMDVKFZ-SUMWQHHRSA-N 1 2 349.398 0.522 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(C(N)=O)co2)CC1 ZINC001070998608 784363998 /nfs/dbraw/zinc/36/39/98/784363998.db2.gz KDKYVMSVDFCHON-UHFFFAOYSA-N 1 2 348.403 0.219 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C(N)=O)co2)CC1 ZINC001070998608 784364008 /nfs/dbraw/zinc/36/40/08/784364008.db2.gz KDKYVMSVDFCHON-UHFFFAOYSA-N 1 2 348.403 0.219 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)Cn2nccc2C)CC1 ZINC001071004475 784382011 /nfs/dbraw/zinc/38/20/11/784382011.db2.gz HLRWGFAGKKJKNJ-UHFFFAOYSA-N 1 2 333.436 0.418 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)Cn2nccc2C)CC1 ZINC001071004475 784382020 /nfs/dbraw/zinc/38/20/20/784382020.db2.gz HLRWGFAGKKJKNJ-UHFFFAOYSA-N 1 2 333.436 0.418 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)COc2ccsc2)CC1 ZINC001071015827 784423284 /nfs/dbraw/zinc/42/32/84/784423284.db2.gz VPPAIABKHBPQJU-UHFFFAOYSA-N 1 2 337.445 0.963 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)COc2ccsc2)CC1 ZINC001071015827 784423288 /nfs/dbraw/zinc/42/32/88/784423288.db2.gz VPPAIABKHBPQJU-UHFFFAOYSA-N 1 2 337.445 0.963 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2c(C)n[nH]c2C)CC1 ZINC001071020467 784438471 /nfs/dbraw/zinc/43/84/71/784438471.db2.gz FKVSVGWZXJGZHR-UHFFFAOYSA-N 1 2 333.436 0.406 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2c(C)n[nH]c2C)CC1 ZINC001071020467 784438475 /nfs/dbraw/zinc/43/84/75/784438475.db2.gz FKVSVGWZXJGZHR-UHFFFAOYSA-N 1 2 333.436 0.406 20 30 ECEDLO Cn1cncc1[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1cnon1 ZINC001070644814 784488965 /nfs/dbraw/zinc/48/89/65/784488965.db2.gz DTFNVNHAGLDXSF-HUUCEWRRSA-N 1 2 340.387 0.301 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cnnn1)C[C@@H](C)O2 ZINC001071134638 784579877 /nfs/dbraw/zinc/57/98/77/784579877.db2.gz VJULEGZVJIOZTQ-TZMCWYRMSA-N 1 2 340.815 0.117 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cnnn1)C[C@@H](C)O2 ZINC001071134638 784579879 /nfs/dbraw/zinc/57/98/79/784579879.db2.gz VJULEGZVJIOZTQ-TZMCWYRMSA-N 1 2 340.815 0.117 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)c1ncn(C)n1)C[C@H](C)O2 ZINC001071164228 784636871 /nfs/dbraw/zinc/63/68/71/784636871.db2.gz JEGMZXHVPPTVIZ-WFASDCNBSA-N 1 2 339.827 0.873 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1ncn(C)n1)C[C@H](C)O2 ZINC001071164228 784636875 /nfs/dbraw/zinc/63/68/75/784636875.db2.gz JEGMZXHVPPTVIZ-WFASDCNBSA-N 1 2 339.827 0.873 20 30 ECEDLO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]cc3ncnc1-3)C[C@@H](C)O2 ZINC001071170960 784651343 /nfs/dbraw/zinc/65/13/43/784651343.db2.gz FMKVBFJLLNGYHS-ACJLOTCBSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]cc3ncnc1-3)C[C@@H](C)O2 ZINC001071170960 784651347 /nfs/dbraw/zinc/65/13/47/784651347.db2.gz FMKVBFJLLNGYHS-ACJLOTCBSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCN1CCN([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C(=O)C1 ZINC001071270280 784900560 /nfs/dbraw/zinc/90/05/60/784900560.db2.gz AJXNWZCFIVEJTF-MRXNPFEDSA-N 1 2 343.431 0.042 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@H](NC(=O)C(N)=O)CC[C@H]1C ZINC001071778915 785091590 /nfs/dbraw/zinc/09/15/90/785091590.db2.gz BDCRESZHGRZAAW-BXUZGUMPSA-N 1 2 330.388 0.521 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@H](NC(=O)C(N)=O)CC[C@H]1C ZINC001071778915 785091600 /nfs/dbraw/zinc/09/16/00/785091600.db2.gz BDCRESZHGRZAAW-BXUZGUMPSA-N 1 2 330.388 0.521 20 30 ECEDLO C=CCOCC(=O)N[C@H]1COC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001068764427 791098722 /nfs/dbraw/zinc/09/87/22/791098722.db2.gz QJOCEHIQADURSF-CYBMUJFWSA-N 1 2 348.403 0.031 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)CC[C@@H]1C ZINC001071660284 785468404 /nfs/dbraw/zinc/46/84/04/785468404.db2.gz SRODPRPXQMBMCF-GJZGRUSLSA-N 1 2 332.448 0.977 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)CC[C@@H]1C ZINC001071660284 785468407 /nfs/dbraw/zinc/46/84/07/785468407.db2.gz SRODPRPXQMBMCF-GJZGRUSLSA-N 1 2 332.448 0.977 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001072317517 786031166 /nfs/dbraw/zinc/03/11/66/786031166.db2.gz QHIGAUQGYMACRL-DZGCQCFKSA-N 1 2 332.404 0.345 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001072317517 786031169 /nfs/dbraw/zinc/03/11/69/786031169.db2.gz QHIGAUQGYMACRL-DZGCQCFKSA-N 1 2 332.404 0.345 20 30 ECEDLO C=CCOCCCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001072430676 786173806 /nfs/dbraw/zinc/17/38/06/786173806.db2.gz XEAZRUBMRULFDH-GOEBONIOSA-N 1 2 348.447 0.909 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1NC(=O)C#CC1CC1 ZINC001072510909 786302433 /nfs/dbraw/zinc/30/24/33/786302433.db2.gz SVJOTJLHAUINJU-ZFWWWQNUSA-N 1 2 328.416 0.729 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)C(=O)Nc1ncccn1)C2 ZINC001072553263 786357560 /nfs/dbraw/zinc/35/75/60/786357560.db2.gz WZOCXSBIATUOBI-OLZOCXBDSA-N 1 2 342.403 0.498 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@H+]([C@@H](C)C(=O)Nc1ncccn1)C2 ZINC001072553263 786357563 /nfs/dbraw/zinc/35/75/63/786357563.db2.gz WZOCXSBIATUOBI-OLZOCXBDSA-N 1 2 342.403 0.498 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001073517871 786453278 /nfs/dbraw/zinc/45/32/78/786453278.db2.gz BBQXBFCHGGTICL-CQSZACIVSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(OC)ncn3)C[C@@H]21 ZINC001074245652 786502525 /nfs/dbraw/zinc/50/25/25/786502525.db2.gz RXVFQOWSPRNSFT-GJZGRUSLSA-N 1 2 332.404 0.977 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(OC)ncn3)C[C@@H]21 ZINC001074245652 786502529 /nfs/dbraw/zinc/50/25/29/786502529.db2.gz RXVFQOWSPRNSFT-GJZGRUSLSA-N 1 2 332.404 0.977 20 30 ECEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3nnn(C(C)(C)C)n3)C[C@@H]21 ZINC001074248233 786507998 /nfs/dbraw/zinc/50/79/98/786507998.db2.gz CMOFALLNDZIUMR-UONOGXRCSA-N 1 2 348.451 0.920 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3nnn(C(C)(C)C)n3)C[C@@H]21 ZINC001074248233 786508001 /nfs/dbraw/zinc/50/80/01/786508001.db2.gz CMOFALLNDZIUMR-UONOGXRCSA-N 1 2 348.451 0.920 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnn4ccncc34)C[C@@H]21 ZINC001074268466 786551990 /nfs/dbraw/zinc/55/19/90/786551990.db2.gz KNINYFYNABZPFL-DLBZAZTESA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnn4ccncc34)C[C@@H]21 ZINC001074268466 786551998 /nfs/dbraw/zinc/55/19/98/786551998.db2.gz KNINYFYNABZPFL-DLBZAZTESA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCN1CCO[C@@H]2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]21 ZINC001074276230 786568739 /nfs/dbraw/zinc/56/87/39/786568739.db2.gz JWQFRVQONXMFCY-JKSUJKDBSA-N 1 2 330.432 0.862 20 30 ECEDLO C#CCCN1CCO[C@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]21 ZINC001074282069 786583947 /nfs/dbraw/zinc/58/39/47/786583947.db2.gz LJOAMVCFCIORIN-SJORKVTESA-N 1 2 346.431 0.675 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CN3CCCNC3=O)C[C@@H]21 ZINC001074283224 786586322 /nfs/dbraw/zinc/58/63/22/786586322.db2.gz AEPGVLACBDBESM-LSDHHAIUSA-N 1 2 336.436 0.280 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CN3CCCNC3=O)C[C@@H]21 ZINC001074283224 786586326 /nfs/dbraw/zinc/58/63/26/786586326.db2.gz AEPGVLACBDBESM-LSDHHAIUSA-N 1 2 336.436 0.280 20 30 ECEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)o3)C[C@@H]21 ZINC001074294710 786616474 /nfs/dbraw/zinc/61/64/74/786616474.db2.gz RMDUTKLLNRXNSR-QWHCGFSZSA-N 1 2 333.388 0.870 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)o3)C[C@@H]21 ZINC001074294710 786616480 /nfs/dbraw/zinc/61/64/80/786616480.db2.gz RMDUTKLLNRXNSR-QWHCGFSZSA-N 1 2 333.388 0.870 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc4nnnn4c3)C[C@@H]21 ZINC001074297837 786624956 /nfs/dbraw/zinc/62/49/56/786624956.db2.gz VGGCBSRXWKIFKE-GJZGRUSLSA-N 1 2 340.387 0.063 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc4nnnn4c3)C[C@@H]21 ZINC001074297837 786624960 /nfs/dbraw/zinc/62/49/60/786624960.db2.gz VGGCBSRXWKIFKE-GJZGRUSLSA-N 1 2 340.387 0.063 20 30 ECEDLO Cn1nncc1C[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001073574204 786653030 /nfs/dbraw/zinc/65/30/30/786653030.db2.gz MIEPCFXSDVIAJE-CQSZACIVSA-N 1 2 343.391 0.036 20 30 ECEDLO Cn1nncc1C[N@H+]1CCCO[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001073574204 786653034 /nfs/dbraw/zinc/65/30/34/786653034.db2.gz MIEPCFXSDVIAJE-CQSZACIVSA-N 1 2 343.391 0.036 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc(=O)n3C)C[C@H]21 ZINC001074336229 786699105 /nfs/dbraw/zinc/69/91/05/786699105.db2.gz LURFSTQKARYOPD-CVEARBPZSA-N 1 2 329.400 0.324 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc(=O)n3C)C[C@H]21 ZINC001074336229 786699112 /nfs/dbraw/zinc/69/91/12/786699112.db2.gz LURFSTQKARYOPD-CVEARBPZSA-N 1 2 329.400 0.324 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]3OCC[N@@H+](CCCF)[C@@H]3C2)nn1 ZINC001074354885 786740612 /nfs/dbraw/zinc/74/06/12/786740612.db2.gz XRZFPPCOOHPLJJ-HUUCEWRRSA-N 1 2 337.399 0.739 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]3OCC[N@H+](CCCF)[C@@H]3C2)nn1 ZINC001074354885 786740614 /nfs/dbraw/zinc/74/06/14/786740614.db2.gz XRZFPPCOOHPLJJ-HUUCEWRRSA-N 1 2 337.399 0.739 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnn(CCOC)c3)C[C@@H]21 ZINC001074395499 786844638 /nfs/dbraw/zinc/84/46/38/786844638.db2.gz SPSGQMHQSARMMV-DLBZAZTESA-N 1 2 346.431 0.468 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnn(CCOC)c3)C[C@@H]21 ZINC001074395499 786844652 /nfs/dbraw/zinc/84/46/52/786844652.db2.gz SPSGQMHQSARMMV-DLBZAZTESA-N 1 2 346.431 0.468 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21 ZINC001074408527 786889964 /nfs/dbraw/zinc/88/99/64/786889964.db2.gz XMRJWVOROVNUPD-JKSUJKDBSA-N 1 2 331.416 0.726 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21 ZINC001074408527 786889974 /nfs/dbraw/zinc/88/99/74/786889974.db2.gz XMRJWVOROVNUPD-JKSUJKDBSA-N 1 2 331.416 0.726 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21 ZINC001074408641 786890392 /nfs/dbraw/zinc/89/03/92/786890392.db2.gz ZLPVETYSUDKGRN-HOTGVXAUSA-N 1 2 329.400 0.173 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21 ZINC001074408641 786890403 /nfs/dbraw/zinc/89/04/03/786890403.db2.gz ZLPVETYSUDKGRN-HOTGVXAUSA-N 1 2 329.400 0.173 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@@H]21 ZINC001074410149 786894851 /nfs/dbraw/zinc/89/48/51/786894851.db2.gz MYJKXBUMZOABQK-LSDHHAIUSA-N 1 2 342.399 0.119 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@@H]21 ZINC001074410149 786894858 /nfs/dbraw/zinc/89/48/58/786894858.db2.gz MYJKXBUMZOABQK-LSDHHAIUSA-N 1 2 342.399 0.119 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001073664542 786911873 /nfs/dbraw/zinc/91/18/73/786911873.db2.gz IJGGZQBVEVDUOJ-UONOGXRCSA-N 1 2 343.855 0.814 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001073664542 786911878 /nfs/dbraw/zinc/91/18/78/786911878.db2.gz IJGGZQBVEVDUOJ-UONOGXRCSA-N 1 2 343.855 0.814 20 30 ECEDLO C=CCOc1ccccc1C(=O)NC[C@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001073664828 786912634 /nfs/dbraw/zinc/91/26/34/786912634.db2.gz QAYWLPJEWSYMHR-AWEZNQCLSA-N 1 2 347.415 0.557 20 30 ECEDLO C=CCOc1ccccc1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001073664828 786912641 /nfs/dbraw/zinc/91/26/41/786912641.db2.gz QAYWLPJEWSYMHR-AWEZNQCLSA-N 1 2 347.415 0.557 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCCO[C@@H](CNC(=O)c3cn[nH]n3)C2)s1 ZINC001073675036 786943223 /nfs/dbraw/zinc/94/32/23/786943223.db2.gz WCUWJFHEGDFMMO-NSHDSACASA-N 1 2 346.416 0.759 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCCO[C@@H](CNC(=O)c3cn[nH]n3)C2)s1 ZINC001073675036 786943228 /nfs/dbraw/zinc/94/32/28/786943228.db2.gz WCUWJFHEGDFMMO-NSHDSACASA-N 1 2 346.416 0.759 20 30 ECEDLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1NC(=O)CSCC#N ZINC001073744034 787105236 /nfs/dbraw/zinc/10/52/36/787105236.db2.gz HUBIFVOEZVOTLL-QWHCGFSZSA-N 1 2 335.433 0.493 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](NC(=O)CSCC#N)[C@@H](C)C1 ZINC001073744860 787106890 /nfs/dbraw/zinc/10/68/90/787106890.db2.gz RIWCCVVVLJNGJH-AAEUAGOBSA-N 1 2 349.460 0.871 20 30 ECEDLO C=CCCC(=O)N1CCC(O)(CNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001074510995 787129616 /nfs/dbraw/zinc/12/96/16/787129616.db2.gz YHIGLXBPTJRTAJ-UHFFFAOYSA-N 1 2 348.447 0.789 20 30 ECEDLO C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001073797019 787220710 /nfs/dbraw/zinc/22/07/10/787220710.db2.gz SZZGJKIQQZDKSU-CABCVRRESA-N 1 2 344.477 0.594 20 30 ECEDLO C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001073797019 787220717 /nfs/dbraw/zinc/22/07/17/787220717.db2.gz SZZGJKIQQZDKSU-CABCVRRESA-N 1 2 344.477 0.594 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC001073819909 787263786 /nfs/dbraw/zinc/26/37/86/787263786.db2.gz LJHFQLYXWRWBKR-UONOGXRCSA-N 1 2 334.420 0.898 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)C2(C)CC2)CC1 ZINC001074616179 787404744 /nfs/dbraw/zinc/40/47/44/787404744.db2.gz NFFJSCWTEVSVKH-HNNXBMFYSA-N 1 2 347.459 0.354 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)C2(C)CC2)CC1 ZINC001074616179 787404748 /nfs/dbraw/zinc/40/47/48/787404748.db2.gz NFFJSCWTEVSVKH-HNNXBMFYSA-N 1 2 347.459 0.354 20 30 ECEDLO C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001074629506 787447218 /nfs/dbraw/zinc/44/72/18/787447218.db2.gz BJAPMTRKAPYLTB-JHJVBQTASA-N 1 2 345.403 0.143 20 30 ECEDLO C[C@H](C#N)C(=O)NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001074629506 787447228 /nfs/dbraw/zinc/44/72/28/787447228.db2.gz BJAPMTRKAPYLTB-JHJVBQTASA-N 1 2 345.403 0.143 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001073960096 787586142 /nfs/dbraw/zinc/58/61/42/787586142.db2.gz KSBTUAPHFROQHS-HUUCEWRRSA-N 1 2 332.404 0.276 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC001074035353 787731903 /nfs/dbraw/zinc/73/19/03/787731903.db2.gz CADUOWKITKALQG-LSDHHAIUSA-N 1 2 332.404 0.276 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)CSCC#N)CCN1C(=O)Cc1c[nH+]cn1C ZINC001074844295 788422060 /nfs/dbraw/zinc/42/20/60/788422060.db2.gz YGAPBJMJNPDKCN-CHWSQXEVSA-N 1 2 349.460 0.715 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC001074965205 788632913 /nfs/dbraw/zinc/63/29/13/788632913.db2.gz CDPRTJQOMMPDAV-LSDHHAIUSA-N 1 2 346.431 0.878 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001075045663 788793019 /nfs/dbraw/zinc/79/30/19/788793019.db2.gz LXORCLXOSLUCPT-CABCVRRESA-N 1 2 332.404 0.419 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001075087020 788882027 /nfs/dbraw/zinc/88/20/27/788882027.db2.gz UUABDZJJYKQWFX-HUUCEWRRSA-N 1 2 334.420 0.972 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001075087846 788883141 /nfs/dbraw/zinc/88/31/41/788883141.db2.gz CCVMOYFGIDLRQW-DZGCQCFKSA-N 1 2 346.431 0.796 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)CSCC#N ZINC001075129267 788948531 /nfs/dbraw/zinc/94/85/31/788948531.db2.gz GRWOMEASITVNCV-RYUDHWBXSA-N 1 2 335.433 0.705 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC1(C)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001072988510 789232249 /nfs/dbraw/zinc/23/22/49/789232249.db2.gz YOTGIWNISJZXLN-CQSZACIVSA-N 1 2 346.431 0.878 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CCC(C)(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001073027158 789299831 /nfs/dbraw/zinc/29/98/31/789299831.db2.gz DVJZIXATQHOFBA-AWEZNQCLSA-N 1 2 346.431 0.498 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)Cc3nnc[nH]3)C2)C1 ZINC001073112303 789462211 /nfs/dbraw/zinc/46/22/11/789462211.db2.gz VLHIZUPIDGAWEY-UHFFFAOYSA-N 1 2 340.225 0.790 20 30 ECEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)Cc3nnc[nH]3)C2)C1 ZINC001073112303 789462217 /nfs/dbraw/zinc/46/22/17/789462217.db2.gz VLHIZUPIDGAWEY-UHFFFAOYSA-N 1 2 340.225 0.790 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3noc4c3COCC4)C[C@H]21 ZINC001075615876 789574705 /nfs/dbraw/zinc/57/47/05/789574705.db2.gz BOMOAYKPLBZTTO-SLEUVZQESA-N 1 2 330.388 0.940 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3noc4c3COCC4)C[C@H]21 ZINC001075615876 789574712 /nfs/dbraw/zinc/57/47/12/789574712.db2.gz BOMOAYKPLBZTTO-SLEUVZQESA-N 1 2 330.388 0.940 20 30 ECEDLO N#Cc1nccc(N2CC[C@@]3(NC(=O)Cc4[nH]cc[nH+]4)CCC[C@H]23)n1 ZINC001069271744 789723074 /nfs/dbraw/zinc/72/30/74/789723074.db2.gz WHTPROXNBLBKDV-SJCJKPOMSA-N 1 2 337.387 0.932 20 30 ECEDLO N#Cc1cncc(N2CC[C@]3(NC(=O)Cc4[nH]cc[nH+]4)CCC[C@H]23)n1 ZINC001069271957 789723625 /nfs/dbraw/zinc/72/36/25/789723625.db2.gz YBEYQOVKRMGVTF-SUMWQHHRSA-N 1 2 337.387 0.932 20 30 ECEDLO C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCCN1c1ccc(C#N)nn1 ZINC001069376107 789783643 /nfs/dbraw/zinc/78/36/43/789783643.db2.gz SGUDESBEAVOFSA-GXTWGEPZSA-N 1 2 325.376 0.718 20 30 ECEDLO C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCCN1c1cnc(C#N)cn1 ZINC001069376127 789783722 /nfs/dbraw/zinc/78/37/22/789783722.db2.gz SLYOSJLECVWHEL-GXTWGEPZSA-N 1 2 325.376 0.718 20 30 ECEDLO C[C@H]1[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1c1cnc(C#N)cn1 ZINC001069415180 789811993 /nfs/dbraw/zinc/81/19/93/789811993.db2.gz MEUMZDIIZSXXCQ-SMDDNHRTSA-N 1 2 325.376 0.788 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC001073473350 789877157 /nfs/dbraw/zinc/87/71/57/789877157.db2.gz YTBMEJPVOQZUJM-UONOGXRCSA-N 1 2 346.431 0.734 20 30 ECEDLO CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1Nc1nccnc1C#N ZINC001069573387 789909514 /nfs/dbraw/zinc/90/95/14/789909514.db2.gz AIANLZBSZPVZCZ-CYBMUJFWSA-N 1 2 325.376 0.894 20 30 ECEDLO CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1Nc1ccnc(C#N)n1 ZINC001069583820 789918665 /nfs/dbraw/zinc/91/86/65/789918665.db2.gz OLNWYGNZSZHCEJ-NSHDSACASA-N 1 2 325.376 0.385 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3coc(C(N)=O)c3)c2C1 ZINC001069867999 790127150 /nfs/dbraw/zinc/12/71/50/790127150.db2.gz VOCSBJOYQBCZNW-UHFFFAOYSA-N 1 2 343.387 0.897 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3coc(C(N)=O)c3)c2C1 ZINC001069867999 790127154 /nfs/dbraw/zinc/12/71/54/790127154.db2.gz VOCSBJOYQBCZNW-UHFFFAOYSA-N 1 2 343.387 0.897 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)noc2C)[C@@H](n2ccnn2)C1 ZINC001069895532 790163917 /nfs/dbraw/zinc/16/39/17/790163917.db2.gz ZIZSCYRVCUGJSN-KGLIPLIRSA-N 1 2 328.376 0.562 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c(C)noc2C)[C@@H](n2ccnn2)C1 ZINC001069895532 790163922 /nfs/dbraw/zinc/16/39/22/790163922.db2.gz ZIZSCYRVCUGJSN-KGLIPLIRSA-N 1 2 328.376 0.562 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]2n2ccnn2)c1 ZINC001069906049 790175865 /nfs/dbraw/zinc/17/58/65/790175865.db2.gz CRTAEVSGXZOLHH-BXHLDNEWSA-N 1 2 345.794 0.886 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]2n2ccnn2)c1 ZINC001069906049 790175869 /nfs/dbraw/zinc/17/58/69/790175869.db2.gz CRTAEVSGXZOLHH-BXHLDNEWSA-N 1 2 345.794 0.886 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cn(C3CCC3)nn2)[C@@H](n2ccnn2)C1 ZINC001069929156 790201545 /nfs/dbraw/zinc/20/15/45/790201545.db2.gz XSABHQGONGFSQN-HIFRSBDPSA-N 1 2 342.407 0.436 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cn(C3CCC3)nn2)[C@@H](n2ccnn2)C1 ZINC001069929156 790201550 /nfs/dbraw/zinc/20/15/50/790201550.db2.gz XSABHQGONGFSQN-HIFRSBDPSA-N 1 2 342.407 0.436 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2cnccc2C)[C@@H](n2ccnn2)C1 ZINC001069948332 790227905 /nfs/dbraw/zinc/22/79/05/790227905.db2.gz WPCNQTVMRWSATG-SJORKVTESA-N 1 2 338.415 0.589 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2cnccc2C)[C@@H](n2ccnn2)C1 ZINC001069948332 790227910 /nfs/dbraw/zinc/22/79/10/790227910.db2.gz WPCNQTVMRWSATG-SJORKVTESA-N 1 2 338.415 0.589 20 30 ECEDLO CC(C)C#CC(=O)N[C@H]1COC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001068858831 791278863 /nfs/dbraw/zinc/27/88/63/791278863.db2.gz KHXAGISGJVMCHI-CQSZACIVSA-N 1 2 330.388 0.029 20 30 ECEDLO C=CCCOCC(=O)N[C@@H]1COC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001068909983 791396802 /nfs/dbraw/zinc/39/68/02/791396802.db2.gz CKQIIEIJLXMHGA-AWEZNQCLSA-N 1 2 348.403 0.031 20 30 ECEDLO C=CCO[C@H](C)C(=O)N[C@H]1COC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001068911084 791399950 /nfs/dbraw/zinc/39/99/50/791399950.db2.gz QZJBSQZTJOCLEX-TZMCWYRMSA-N 1 2 348.403 0.029 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)C[C@H](NC(=O)CCCn1cc[nH+]c1)CO2 ZINC001068916824 791413886 /nfs/dbraw/zinc/41/38/86/791413886.db2.gz VOICTHAMWRBKOK-KBPBESRZSA-N 1 2 345.403 0.309 20 30 ECEDLO C=C[C@H](CC)CC(=O)N[C@H]1COC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001068975829 791532930 /nfs/dbraw/zinc/53/29/30/791532930.db2.gz ODQYZLLMAVTBDG-HUUCEWRRSA-N 1 2 346.431 0.972 20 30 ECEDLO CC(C)(C)C#CC(=O)N1CC2(C1)C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)CO2 ZINC001068983758 791549899 /nfs/dbraw/zinc/54/98/99/791549899.db2.gz MUEFYMGGEFTWSI-CYBMUJFWSA-N 1 2 344.415 0.488 20 30 ECEDLO N#Cc1ccc(NC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CCO2)nc1 ZINC001066680746 791976195 /nfs/dbraw/zinc/97/61/95/791976195.db2.gz NEYIURCOTSYDPQ-CQSZACIVSA-N 1 2 326.360 0.558 20 30 ECEDLO CO[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001066699447 792023863 /nfs/dbraw/zinc/02/38/63/792023863.db2.gz XVYTWKFUQPVDSL-ZIAGYGMSSA-N 1 2 344.419 0.106 20 30 ECEDLO C[C@H]1C[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCN(c3nccnc3C#N)CC2)C1 ZINC001066701018 792027765 /nfs/dbraw/zinc/02/77/65/792027765.db2.gz NXSYBUGIYCQBGK-ZNMIVQPWSA-N 1 2 340.431 0.727 20 30 ECEDLO Cc1cc(N2CC[NH+]([C@@H]3CCN(C(=O)C#CC4CC4)C3)CC2)ncn1 ZINC001066701283 792027782 /nfs/dbraw/zinc/02/77/82/792027782.db2.gz SLRDRGTUPLCXKM-QGZVFWFLSA-N 1 2 339.443 0.921 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1)c1cnc(C#N)cn1 ZINC001067772620 792261783 /nfs/dbraw/zinc/26/17/83/792261783.db2.gz YCDMHQSIECYMHA-CYBMUJFWSA-N 1 2 325.376 0.741 20 30 ECEDLO N#Cc1cncc(N[C@@]2(CO)CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)n1 ZINC001066923640 792393169 /nfs/dbraw/zinc/39/31/69/792393169.db2.gz PJXHXABDGUPBPN-INIZCTEOSA-N 1 2 341.375 0.079 20 30 ECEDLO C=CCOCC(=O)N(C)CCCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001067001201 792544083 /nfs/dbraw/zinc/54/40/83/792544083.db2.gz PUCWLVXYFHMFQC-HNNXBMFYSA-N 1 2 348.447 0.955 20 30 ECEDLO C[C@@H]1CCN(c2cncc(C#N)n2)C[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067992862 792554571 /nfs/dbraw/zinc/55/45/71/792554571.db2.gz DDLOMLDTVRURKC-RISCZKNCSA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1Nc1cnc(C#N)cn1 ZINC001067083919 792682187 /nfs/dbraw/zinc/68/21/87/792682187.db2.gz IFBNJKVOXAUTJU-YPMHNXCESA-N 1 2 325.376 0.963 20 30 ECEDLO CC1(C)CN(c2nccnc2C#N)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001068115440 792697436 /nfs/dbraw/zinc/69/74/36/792697436.db2.gz KGUITHIMNWFLEF-ZDUSSCGKSA-N 1 2 325.376 0.576 20 30 ECEDLO C[C@@H](Nc1cnc(C#N)cn1)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001068234850 792887713 /nfs/dbraw/zinc/88/77/13/792887713.db2.gz MDNKOKCVFMLRAF-OCCSQVGLSA-N 1 2 341.375 0.273 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCOC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001068433756 793309255 /nfs/dbraw/zinc/30/92/55/793309255.db2.gz ZGCAYBYQQITANA-KGLIPLIRSA-N 1 2 346.431 0.850 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(CCC)C(=O)c2cn[nH]n2)C1 ZINC001267544803 837735056 /nfs/dbraw/zinc/73/50/56/837735056.db2.gz UEQQFIGNGJLZAA-OLZOCXBDSA-N 1 2 334.424 0.422 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(CCC)C(=O)c2cn[nH]n2)C1 ZINC001267544803 837735059 /nfs/dbraw/zinc/73/50/59/837735059.db2.gz UEQQFIGNGJLZAA-OLZOCXBDSA-N 1 2 334.424 0.422 20 30 ECEDLO CCCN(C(=O)CCc1cn[nH]n1)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001267546940 837740913 /nfs/dbraw/zinc/74/09/13/837740913.db2.gz FXFNCZQBEFUFTC-MRXNPFEDSA-N 1 2 333.436 0.700 20 30 ECEDLO CCCN(C(=O)CCc1cn[nH]n1)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267546940 837740921 /nfs/dbraw/zinc/74/09/21/837740921.db2.gz FXFNCZQBEFUFTC-MRXNPFEDSA-N 1 2 333.436 0.700 20 30 ECEDLO CCCN(C(=O)CCc1c[nH]nn1)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001267546940 837740927 /nfs/dbraw/zinc/74/09/27/837740927.db2.gz FXFNCZQBEFUFTC-MRXNPFEDSA-N 1 2 333.436 0.700 20 30 ECEDLO CCCN(C(=O)CCc1c[nH]nn1)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267546940 837740931 /nfs/dbraw/zinc/74/09/31/837740931.db2.gz FXFNCZQBEFUFTC-MRXNPFEDSA-N 1 2 333.436 0.700 20 30 ECEDLO CCOc1ccc(C(=O)N(C)CC[NH+]2CCN(CC#N)CC2)cn1 ZINC001267572918 837810863 /nfs/dbraw/zinc/81/08/63/837810863.db2.gz BQRBBERFNMXRCX-UHFFFAOYSA-N 1 2 331.420 0.693 20 30 ECEDLO COCC#CCN1CC[NH+](CCN(C)C(=O)c2cccnc2C)CC1 ZINC001267574885 837824486 /nfs/dbraw/zinc/82/44/86/837824486.db2.gz VQDPHELQURWZSU-UHFFFAOYSA-N 1 2 344.459 0.729 20 30 ECEDLO COCC#CC[NH+]1CCN(CCN(C)C(=O)c2cccnc2C)CC1 ZINC001267574885 837824501 /nfs/dbraw/zinc/82/45/01/837824501.db2.gz VQDPHELQURWZSU-UHFFFAOYSA-N 1 2 344.459 0.729 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C ZINC001266271576 835593057 /nfs/dbraw/zinc/59/30/57/835593057.db2.gz JTSMVVMFNPKADJ-YOEHRIQHSA-N 1 2 325.453 0.763 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C ZINC001266271576 835593064 /nfs/dbraw/zinc/59/30/64/835593064.db2.gz JTSMVVMFNPKADJ-YOEHRIQHSA-N 1 2 325.453 0.763 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[NH+]1CCN(Cc2nc(C)oc2C)CC1 ZINC001266283292 835614156 /nfs/dbraw/zinc/61/41/56/835614156.db2.gz LHFKYNYTCBRXMA-OAHLLOKOSA-N 1 2 348.447 0.564 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)c2cn(C)c(C)cc2=O)C1=O ZINC001266286654 835624228 /nfs/dbraw/zinc/62/42/28/835624228.db2.gz URJSFDFLLPNQEX-OAHLLOKOSA-N 1 2 346.431 0.142 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)c2cn(C)c(C)cc2=O)C1=O ZINC001266286654 835624231 /nfs/dbraw/zinc/62/42/31/835624231.db2.gz URJSFDFLLPNQEX-OAHLLOKOSA-N 1 2 346.431 0.142 20 30 ECEDLO O=C(C#CC1CC1)N[C@H]1CC[N@@H+](CC(=O)NCC#Cc2ccccc2)C1 ZINC001266318948 835687184 /nfs/dbraw/zinc/68/71/84/835687184.db2.gz DMLWKYWIDJRDFU-IBGZPJMESA-N 1 2 349.434 0.758 20 30 ECEDLO O=C(C#CC1CC1)N[C@H]1CC[N@H+](CC(=O)NCC#Cc2ccccc2)C1 ZINC001266318948 835687187 /nfs/dbraw/zinc/68/71/87/835687187.db2.gz DMLWKYWIDJRDFU-IBGZPJMESA-N 1 2 349.434 0.758 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2ccc(F)cc2F)C1 ZINC001266320715 835692094 /nfs/dbraw/zinc/69/20/94/835692094.db2.gz DVPKDTCOKZPPLJ-ZDUSSCGKSA-N 1 2 336.342 0.338 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(F)cc2F)C1 ZINC001266320715 835692099 /nfs/dbraw/zinc/69/20/99/835692099.db2.gz DVPKDTCOKZPPLJ-ZDUSSCGKSA-N 1 2 336.342 0.338 20 30 ECEDLO Cc1ccn2ncc(C(=O)N[C@@H]3CC[N@H+](CC(=O)NCC#N)C3)c2c1 ZINC001266325133 835702588 /nfs/dbraw/zinc/70/25/88/835702588.db2.gz KLLAHAQQVXLHAX-CYBMUJFWSA-N 1 2 340.387 0.087 20 30 ECEDLO Cc1ccn2ncc(C(=O)N[C@@H]3CC[N@@H+](CC(=O)NCC#N)C3)c2c1 ZINC001266325133 835702593 /nfs/dbraw/zinc/70/25/93/835702593.db2.gz KLLAHAQQVXLHAX-CYBMUJFWSA-N 1 2 340.387 0.087 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001266327850 835707211 /nfs/dbraw/zinc/70/72/11/835707211.db2.gz NEOJIDHKTOATMI-GXTWGEPZSA-N 1 2 340.383 0.770 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001266327850 835707215 /nfs/dbraw/zinc/70/72/15/835707215.db2.gz NEOJIDHKTOATMI-GXTWGEPZSA-N 1 2 340.383 0.770 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC001266344327 835732707 /nfs/dbraw/zinc/73/27/07/835732707.db2.gz GOQPELUUEDMIHT-INIZCTEOSA-N 1 2 326.400 0.232 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC001266344327 835732714 /nfs/dbraw/zinc/73/27/14/835732714.db2.gz GOQPELUUEDMIHT-INIZCTEOSA-N 1 2 326.400 0.232 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nccn3cc(C)nc23)C1 ZINC001266350345 835746555 /nfs/dbraw/zinc/74/65/55/835746555.db2.gz SCKPWORZXMJEON-ZDUSSCGKSA-N 1 2 342.403 0.144 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nccn3cc(C)nc23)C1 ZINC001266350345 835746562 /nfs/dbraw/zinc/74/65/62/835746562.db2.gz SCKPWORZXMJEON-ZDUSSCGKSA-N 1 2 342.403 0.144 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(CCOCC)CCCC2)C1 ZINC001266350477 835746636 /nfs/dbraw/zinc/74/66/36/835746636.db2.gz UMUYBYMTKFMUSE-INIZCTEOSA-N 1 2 349.475 0.913 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(CCOCC)CCCC2)C1 ZINC001266350477 835746643 /nfs/dbraw/zinc/74/66/43/835746643.db2.gz UMUYBYMTKFMUSE-INIZCTEOSA-N 1 2 349.475 0.913 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCCS(=O)(=O)CC)C2)cn1 ZINC001266353078 835754550 /nfs/dbraw/zinc/75/45/50/835754550.db2.gz NWZAUKIPMVNNNX-INIZCTEOSA-N 1 2 349.456 0.692 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCCS(=O)(=O)CC)C2)cn1 ZINC001266353078 835754556 /nfs/dbraw/zinc/75/45/56/835754556.db2.gz NWZAUKIPMVNNNX-INIZCTEOSA-N 1 2 349.456 0.692 20 30 ECEDLO CCCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C#CC1CC1 ZINC001266460749 835864046 /nfs/dbraw/zinc/86/40/46/835864046.db2.gz COKWBMOLXHXNMH-HNNXBMFYSA-N 1 2 348.447 0.606 20 30 ECEDLO CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C#CC1CC1 ZINC001266460749 835864049 /nfs/dbraw/zinc/86/40/49/835864049.db2.gz COKWBMOLXHXNMH-HNNXBMFYSA-N 1 2 348.447 0.606 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1Cc1cc(=O)c(OC)co1 ZINC001266465405 835867100 /nfs/dbraw/zinc/86/71/00/835867100.db2.gz VPQQJXDPIQYTDV-UONOGXRCSA-N 1 2 348.399 0.767 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(=O)c(OC)co1 ZINC001266465405 835867106 /nfs/dbraw/zinc/86/71/06/835867106.db2.gz VPQQJXDPIQYTDV-UONOGXRCSA-N 1 2 348.399 0.767 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(OC)ccn1 ZINC001266474530 835877524 /nfs/dbraw/zinc/87/75/24/835877524.db2.gz QBWUHIGJCNERII-CYBMUJFWSA-N 1 2 332.404 0.587 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(OC)ccn1 ZINC001266474530 835877526 /nfs/dbraw/zinc/87/75/26/835877526.db2.gz QBWUHIGJCNERII-CYBMUJFWSA-N 1 2 332.404 0.587 20 30 ECEDLO C=CCOCC(=O)N[C@]1(CO)CCC[N@H+](Cc2cncc(F)c2)C1 ZINC001279470657 836071234 /nfs/dbraw/zinc/07/12/34/836071234.db2.gz HHPWJSOBPTYRCL-QGZVFWFLSA-N 1 2 337.395 0.866 20 30 ECEDLO C=CCOCC(=O)N[C@]1(CO)CCC[N@@H+](Cc2cncc(F)c2)C1 ZINC001279470657 836071238 /nfs/dbraw/zinc/07/12/38/836071238.db2.gz HHPWJSOBPTYRCL-QGZVFWFLSA-N 1 2 337.395 0.866 20 30 ECEDLO O=C(C#CC1CC1)NCC1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001299156033 836100767 /nfs/dbraw/zinc/10/07/67/836100767.db2.gz URWIRWUMYAMDMX-AWEZNQCLSA-N 1 2 326.400 0.624 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@](CO)(NC(=O)CC(C)(F)F)C1 ZINC001279509900 836289569 /nfs/dbraw/zinc/28/95/69/836289569.db2.gz PUQMNMMUDVIDID-HNNXBMFYSA-N 1 2 333.379 0.277 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@](CO)(NC(=O)CC(C)(F)F)C1 ZINC001279509900 836289580 /nfs/dbraw/zinc/28/95/80/836289580.db2.gz PUQMNMMUDVIDID-HNNXBMFYSA-N 1 2 333.379 0.277 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)C1(F)CCOCC1 ZINC001266845047 836373928 /nfs/dbraw/zinc/37/39/28/836373928.db2.gz SQMNVLOLPZGPFK-AWEZNQCLSA-N 1 2 339.411 0.225 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)C1(F)CCOCC1 ZINC001266845047 836373938 /nfs/dbraw/zinc/37/39/38/836373938.db2.gz SQMNVLOLPZGPFK-AWEZNQCLSA-N 1 2 339.411 0.225 20 30 ECEDLO Cn1nnc(C[N@@H+]2CCC[C@@H]2CCCNC(=O)CSCC#N)n1 ZINC001267161168 836874237 /nfs/dbraw/zinc/87/42/37/836874237.db2.gz LVPMRTVCENCKML-LBPRGKRZSA-N 1 2 337.453 0.328 20 30 ECEDLO Cn1nnc(C[N@H+]2CCC[C@@H]2CCCNC(=O)CSCC#N)n1 ZINC001267161168 836874245 /nfs/dbraw/zinc/87/42/45/836874245.db2.gz LVPMRTVCENCKML-LBPRGKRZSA-N 1 2 337.453 0.328 20 30 ECEDLO C=CC(C)(C)C(=O)NCC[N@@H+](C)CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC001267211499 836999656 /nfs/dbraw/zinc/99/96/56/836999656.db2.gz FXUWBVLMNKGLJX-KBPBESRZSA-N 1 2 325.453 0.882 20 30 ECEDLO C=CC(C)(C)C(=O)NCC[N@H+](C)CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC001267211499 836999666 /nfs/dbraw/zinc/99/96/66/836999666.db2.gz FXUWBVLMNKGLJX-KBPBESRZSA-N 1 2 325.453 0.882 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1ccn2cc(C)nc2c1 ZINC001267217507 837007754 /nfs/dbraw/zinc/00/77/54/837007754.db2.gz IZYTXUWSSQGKKT-UHFFFAOYSA-N 1 2 327.388 0.054 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccn2cc(C)nc2c1 ZINC001267217507 837007761 /nfs/dbraw/zinc/00/77/61/837007761.db2.gz IZYTXUWSSQGKKT-UHFFFAOYSA-N 1 2 327.388 0.054 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@@H+](C)CC(=O)N(CC)CC ZINC001267221244 837014113 /nfs/dbraw/zinc/01/41/13/837014113.db2.gz ZFHUCDSLGXUGMU-HOCLYGCPSA-N 1 2 325.453 0.884 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@H+](C)CC(=O)N(CC)CC ZINC001267221244 837014128 /nfs/dbraw/zinc/01/41/28/837014128.db2.gz ZFHUCDSLGXUGMU-HOCLYGCPSA-N 1 2 325.453 0.884 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)COc1cccc(Cl)c1 ZINC001267228951 837030646 /nfs/dbraw/zinc/03/06/46/837030646.db2.gz BCNJBLGXUVHYQS-UHFFFAOYSA-N 1 2 337.807 0.516 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)COc1cccc(Cl)c1 ZINC001267228951 837030655 /nfs/dbraw/zinc/03/06/55/837030655.db2.gz BCNJBLGXUVHYQS-UHFFFAOYSA-N 1 2 337.807 0.516 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cc(C)nc2cc(C)nn21 ZINC001267230945 837035615 /nfs/dbraw/zinc/03/56/15/837035615.db2.gz IUNGWJAEAKUPHB-UHFFFAOYSA-N 1 2 344.419 0.310 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cc(C)nc2cc(C)nn21 ZINC001267230945 837035623 /nfs/dbraw/zinc/03/56/23/837035623.db2.gz IUNGWJAEAKUPHB-UHFFFAOYSA-N 1 2 344.419 0.310 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C2CC2)on1 ZINC001267277303 837121730 /nfs/dbraw/zinc/12/17/30/837121730.db2.gz VWYXFOIYQOELSI-ZDUSSCGKSA-N 1 2 330.388 0.496 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(C2CC2)on1 ZINC001267277303 837121735 /nfs/dbraw/zinc/12/17/35/837121735.db2.gz VWYXFOIYQOELSI-ZDUSSCGKSA-N 1 2 330.388 0.496 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cn(CC)nc1C ZINC001267277855 837123312 /nfs/dbraw/zinc/12/33/12/837123312.db2.gz BTWFSUMLOWIBHF-AWEZNQCLSA-N 1 2 331.420 0.155 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cn(CC)nc1C ZINC001267277855 837123316 /nfs/dbraw/zinc/12/33/16/837123316.db2.gz BTWFSUMLOWIBHF-AWEZNQCLSA-N 1 2 331.420 0.155 20 30 ECEDLO C=CCN1CC[C@@H](N(CCNC(=O)Cn2c[nH+]cc2C)C2CC2)C1=O ZINC001267329738 837211449 /nfs/dbraw/zinc/21/14/49/837211449.db2.gz PWRQPUXKSSPSBS-MRXNPFEDSA-N 1 2 345.447 0.559 20 30 ECEDLO C=CC[N@@H+]1CC[C@H](CCNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001267584702 837858013 /nfs/dbraw/zinc/85/80/13/837858013.db2.gz ZXGAQKQOZMVNHR-LBPRGKRZSA-N 1 2 330.392 0.085 20 30 ECEDLO C=CC[N@H+]1CC[C@H](CCNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001267584702 837858022 /nfs/dbraw/zinc/85/80/22/837858022.db2.gz ZXGAQKQOZMVNHR-LBPRGKRZSA-N 1 2 330.392 0.085 20 30 ECEDLO C=CCN1CC[NH+](CCN(C)C(=O)[C@H]2CCC[C@@H](C(N)=O)C2)CC1 ZINC001267612260 837979945 /nfs/dbraw/zinc/97/99/45/837979945.db2.gz CXCPPQHGKRXKNT-CVEARBPZSA-N 1 2 336.480 0.540 20 30 ECEDLO Cc1nc2ccnn2cc1C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001267618750 838053908 /nfs/dbraw/zinc/05/39/08/838053908.db2.gz SEBPAXNMCWBLLB-UHFFFAOYSA-N 1 2 341.419 0.251 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)c2cc(OC)ccn2)C1 ZINC001267629535 838085898 /nfs/dbraw/zinc/08/58/98/838085898.db2.gz YMXOZRWUXPPJCS-KBPBESRZSA-N 1 2 346.431 0.975 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2cc(OC)ccn2)C1 ZINC001267629535 838085915 /nfs/dbraw/zinc/08/59/15/838085915.db2.gz YMXOZRWUXPPJCS-KBPBESRZSA-N 1 2 346.431 0.975 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NC1C[NH+](C[C@H](O)COc2ccccc2C)C1 ZINC001267642787 838125288 /nfs/dbraw/zinc/12/52/88/838125288.db2.gz CDQMEQPMYLTORH-QFBILLFUSA-N 1 2 348.443 0.862 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2ccc(NC(N)=O)cc2)C1 ZINC001267698809 838292993 /nfs/dbraw/zinc/29/29/93/838292993.db2.gz PQDKGCCOLTVWSP-UHFFFAOYSA-N 1 2 345.403 0.141 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001267741109 838442270 /nfs/dbraw/zinc/44/22/70/838442270.db2.gz JAQYOQSQAJAJAJ-CYBMUJFWSA-N 1 2 336.436 0.625 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001267741109 838442274 /nfs/dbraw/zinc/44/22/74/838442274.db2.gz JAQYOQSQAJAJAJ-CYBMUJFWSA-N 1 2 336.436 0.625 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cccc(F)c2F)C1 ZINC001267747881 838456259 /nfs/dbraw/zinc/45/62/59/838456259.db2.gz FPAAAIMUTJXUJU-NWDGAFQWSA-N 1 2 335.354 0.907 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cccc(F)c2F)C1 ZINC001267747881 838456263 /nfs/dbraw/zinc/45/62/63/838456263.db2.gz FPAAAIMUTJXUJU-NWDGAFQWSA-N 1 2 335.354 0.907 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(F)c(OC)c2)C1 ZINC001267749193 838465664 /nfs/dbraw/zinc/46/56/64/838465664.db2.gz IMJLVCFBFUZLRL-CYBMUJFWSA-N 1 2 333.363 0.388 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)c(OC)c2)C1 ZINC001267749193 838465666 /nfs/dbraw/zinc/46/56/66/838465666.db2.gz IMJLVCFBFUZLRL-CYBMUJFWSA-N 1 2 333.363 0.388 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(C)C)C1 ZINC001267750127 838468639 /nfs/dbraw/zinc/46/86/39/838468639.db2.gz TVOJOOZGWUMDGJ-CABCVRRESA-N 1 2 338.452 0.172 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(C)C)C1 ZINC001267750127 838468646 /nfs/dbraw/zinc/46/86/46/838468646.db2.gz TVOJOOZGWUMDGJ-CABCVRRESA-N 1 2 338.452 0.172 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cnc(C3CC3)o2)C1 ZINC001267766216 838499193 /nfs/dbraw/zinc/49/91/93/838499193.db2.gz FQBKNEBFVLWUKE-JSGCOSHPSA-N 1 2 344.415 0.836 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cnc(C3CC3)o2)C1 ZINC001267766216 838499196 /nfs/dbraw/zinc/49/91/96/838499196.db2.gz FQBKNEBFVLWUKE-JSGCOSHPSA-N 1 2 344.415 0.836 20 30 ECEDLO CCOC1CC(CC(=O)N(C)[C@H]2CC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001267770062 838516801 /nfs/dbraw/zinc/51/68/01/838516801.db2.gz FTNFYMWEPGCFHQ-SLTAFYQDSA-N 1 2 336.436 0.364 20 30 ECEDLO CCOC1CC(CC(=O)N(C)[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001267770062 838516804 /nfs/dbraw/zinc/51/68/04/838516804.db2.gz FTNFYMWEPGCFHQ-SLTAFYQDSA-N 1 2 336.436 0.364 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccnc(C3CC3)n2)C1 ZINC001267773026 838529081 /nfs/dbraw/zinc/52/90/81/838529081.db2.gz IXOPXWKLKHQAGS-CQSZACIVSA-N 1 2 341.415 0.250 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccnc(C3CC3)n2)C1 ZINC001267773026 838529086 /nfs/dbraw/zinc/52/90/86/838529086.db2.gz IXOPXWKLKHQAGS-CQSZACIVSA-N 1 2 341.415 0.250 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccon2)C1 ZINC001267781671 838555861 /nfs/dbraw/zinc/55/58/61/838555861.db2.gz LIXGVJCXVHEERY-LBPRGKRZSA-N 1 2 349.391 0.223 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccon2)C1 ZINC001267781671 838555867 /nfs/dbraw/zinc/55/58/67/838555867.db2.gz LIXGVJCXVHEERY-LBPRGKRZSA-N 1 2 349.391 0.223 20 30 ECEDLO CCN(C(=O)C[C@@H]1CCCCO1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267785737 838560777 /nfs/dbraw/zinc/56/07/77/838560777.db2.gz QGMWLNBIPDEFQD-GJZGRUSLSA-N 1 2 336.436 0.508 20 30 ECEDLO CCN(C(=O)C[C@@H]1CCCCO1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267785737 838560782 /nfs/dbraw/zinc/56/07/82/838560782.db2.gz QGMWLNBIPDEFQD-GJZGRUSLSA-N 1 2 336.436 0.508 20 30 ECEDLO CCN(C(=O)C#CC1CC1)[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC001267784985 838561422 /nfs/dbraw/zinc/56/14/22/838561422.db2.gz SRMMPCXWITUZRW-SJORKVTESA-N 1 2 347.459 0.618 20 30 ECEDLO CCN(C(=O)C#CC1CC1)[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC001267784985 838561428 /nfs/dbraw/zinc/56/14/28/838561428.db2.gz SRMMPCXWITUZRW-SJORKVTESA-N 1 2 347.459 0.618 20 30 ECEDLO CCN(C(=O)C1CCC(O)CC1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267784845 838561459 /nfs/dbraw/zinc/56/14/59/838561459.db2.gz RLEWBOLHUOFTRJ-SHARSMKWSA-N 1 2 336.436 0.100 20 30 ECEDLO CCN(C(=O)C1CCC(O)CC1)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267784845 838561464 /nfs/dbraw/zinc/56/14/64/838561464.db2.gz RLEWBOLHUOFTRJ-SHARSMKWSA-N 1 2 336.436 0.100 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc(OC)ncn2)C1 ZINC001267785172 838561965 /nfs/dbraw/zinc/56/19/65/838561965.db2.gz CRIUONXREPCNLR-ZDUSSCGKSA-N 1 2 347.419 0.324 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(OC)ncn2)C1 ZINC001267785172 838561969 /nfs/dbraw/zinc/56/19/69/838561969.db2.gz CRIUONXREPCNLR-ZDUSSCGKSA-N 1 2 347.419 0.324 20 30 ECEDLO C=CC[NH2+]CC[C@@H]1CCCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001267898934 838732937 /nfs/dbraw/zinc/73/29/37/838732937.db2.gz XYGJBGDUAHKUKE-ZDUSSCGKSA-N 1 2 344.419 0.476 20 30 ECEDLO C=CCCO[C@H](C)C(=O)NC[C@@H]1CN(Cc2c[nH+]cn2C)CCO1 ZINC001268017439 838982790 /nfs/dbraw/zinc/98/27/90/838982790.db2.gz DDWBAPBQTBHUIY-GDBMZVCRSA-N 1 2 336.436 0.718 20 30 ECEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)CCNC(=O)c2ccsc2)C1 ZINC001268025188 839018986 /nfs/dbraw/zinc/01/89/86/839018986.db2.gz OHNGNZPBFWKEMK-CQSZACIVSA-N 1 2 337.445 0.871 20 30 ECEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)CCNC(=O)c2ccsc2)C1 ZINC001268025188 839018998 /nfs/dbraw/zinc/01/89/98/839018998.db2.gz OHNGNZPBFWKEMK-CQSZACIVSA-N 1 2 337.445 0.871 20 30 ECEDLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000981006017 839314350 /nfs/dbraw/zinc/31/43/50/839314350.db2.gz AQDFKPMSEXZSRF-GFCCVEGCSA-N 1 2 329.404 0.701 20 30 ECEDLO C[C@H](C(=O)NC1CC1)[N@H+]1CCCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000981006017 839314366 /nfs/dbraw/zinc/31/43/66/839314366.db2.gz AQDFKPMSEXZSRF-GFCCVEGCSA-N 1 2 329.404 0.701 20 30 ECEDLO C=CC[N@H+](CCN1C(=O)c2ccccc2C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000066559934 215053514 /nfs/dbraw/zinc/05/35/14/215053514.db2.gz ISIVIYMSKXCONF-CYBMUJFWSA-N 1 2 348.424 0.958 20 30 ECEDLO C=CC[N@@H+](CCN1C(=O)c2ccccc2C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000066559934 215053516 /nfs/dbraw/zinc/05/35/16/215053516.db2.gz ISIVIYMSKXCONF-CYBMUJFWSA-N 1 2 348.424 0.958 20 30 ECEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000245782106 243155349 /nfs/dbraw/zinc/15/53/49/243155349.db2.gz CRPXXZCPYMEYSJ-KBPBESRZSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000245782106 243155358 /nfs/dbraw/zinc/15/53/58/243155358.db2.gz CRPXXZCPYMEYSJ-KBPBESRZSA-N 1 2 337.445 0.942 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)[C@@H](C)C1 ZINC000193984482 296186727 /nfs/dbraw/zinc/18/67/27/296186727.db2.gz YPIQGMQMCCUMGC-NWDGAFQWSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)[C@@H](C)C1 ZINC000193984482 296186728 /nfs/dbraw/zinc/18/67/28/296186728.db2.gz YPIQGMQMCCUMGC-NWDGAFQWSA-N 1 2 341.408 0.773 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)COc1ccc(C#N)cc1 ZINC000267622172 251200961 /nfs/dbraw/zinc/20/09/61/251200961.db2.gz DRVWPRYGOOPCCS-HNNXBMFYSA-N 1 2 333.388 0.089 20 30 ECEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000275523734 269706807 /nfs/dbraw/zinc/70/68/07/269706807.db2.gz JIVBIKYSTBFEGQ-ZBFHGGJFSA-N 1 2 331.372 0.885 20 30 ECEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000275523734 269706810 /nfs/dbraw/zinc/70/68/10/269706810.db2.gz JIVBIKYSTBFEGQ-ZBFHGGJFSA-N 1 2 331.372 0.885 20 30 ECEDLO CCN(C)C(=O)CO[NH+]=C(N)c1ccc(-n2nc(C)cc2C)nc1 ZINC000273596119 254537964 /nfs/dbraw/zinc/53/79/64/254537964.db2.gz WIEONWOMZNJCEC-UHFFFAOYSA-N 1 2 330.392 0.999 20 30 ECEDLO O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000330044283 254626502 /nfs/dbraw/zinc/62/65/02/254626502.db2.gz FRJYLEBBXYJNJQ-HRCADAONSA-N 1 2 335.404 0.809 20 30 ECEDLO CC(C)C(=O)N1CCC[C@@H]1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000328878090 254594297 /nfs/dbraw/zinc/59/42/97/254594297.db2.gz IWWRBPBGZZTQAI-UONOGXRCSA-N 1 2 327.425 0.283 20 30 ECEDLO CN(Cc1[nH+]ccn1C)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000329350266 254605504 /nfs/dbraw/zinc/60/55/04/254605504.db2.gz DFZPVVXHEMVFBS-LBPRGKRZSA-N 1 2 345.407 0.695 20 30 ECEDLO CC[C@@H](C(=O)OC)N1CC[NH+](CC(=O)N(CC)C[C@H](C)C#N)CC1 ZINC000352722950 254712423 /nfs/dbraw/zinc/71/24/23/254712423.db2.gz GWCIJBYRFPFYGT-CABCVRRESA-N 1 2 338.452 0.564 20 30 ECEDLO C[C@H](Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)NC1(C#N)CCC1 ZINC000345136181 254695028 /nfs/dbraw/zinc/69/50/28/254695028.db2.gz SALJLKSUEHDGBU-AWEZNQCLSA-N 1 2 346.435 0.578 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000425896410 254785270 /nfs/dbraw/zinc/78/52/70/254785270.db2.gz XSKXGOCFIVUCIB-ZNMIVQPWSA-N 1 2 346.431 0.892 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000377956692 254759032 /nfs/dbraw/zinc/75/90/32/254759032.db2.gz YYUGBADAXPXDGR-ARFHVFGLSA-N 1 2 337.420 0.112 20 30 ECEDLO N#Cc1ccc(/C=C\C(=O)NCC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000491793619 254935986 /nfs/dbraw/zinc/93/59/86/254935986.db2.gz IVIKHWZSNGJTHE-WAYWQWQTSA-N 1 2 342.399 0.136 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000496479655 255103136 /nfs/dbraw/zinc/10/31/36/255103136.db2.gz IGQGDWGBFQRASY-KBPBESRZSA-N 1 2 339.436 0.692 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000496479655 255103137 /nfs/dbraw/zinc/10/31/37/255103137.db2.gz IGQGDWGBFQRASY-KBPBESRZSA-N 1 2 339.436 0.692 20 30 ECEDLO C=CCOCC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496554172 255109728 /nfs/dbraw/zinc/10/97/28/255109728.db2.gz XZVJCPQKCCNYIW-ZDUSSCGKSA-N 1 2 327.425 0.856 20 30 ECEDLO C=CCOCC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496554172 255109729 /nfs/dbraw/zinc/10/97/29/255109729.db2.gz XZVJCPQKCCNYIW-ZDUSSCGKSA-N 1 2 327.425 0.856 20 30 ECEDLO COCC1(C#N)CC[NH+](CC(=O)N[C@H](CC(C)C)C(=O)OC)CC1 ZINC000341997267 292207806 /nfs/dbraw/zinc/20/78/06/292207806.db2.gz WTWQAUCWFDXUJI-CQSZACIVSA-N 1 2 339.436 0.942 20 30 ECEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2ccc(C#N)nc2)CC1 ZINC000154713820 296698639 /nfs/dbraw/zinc/69/86/39/296698639.db2.gz BNODUHLZWCYGHC-AWEZNQCLSA-N 1 2 341.415 0.722 20 30 ECEDLO COCC[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000122814217 222163784 /nfs/dbraw/zinc/16/37/84/222163784.db2.gz UYKWMRFQKDTQNA-HZPDHXFCSA-N 1 2 338.429 0.727 20 30 ECEDLO COCC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000122814217 222163787 /nfs/dbraw/zinc/16/37/87/222163787.db2.gz UYKWMRFQKDTQNA-HZPDHXFCSA-N 1 2 338.429 0.727 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000543752903 420653735 /nfs/dbraw/zinc/65/37/35/420653735.db2.gz OUBNROFINRCAKC-GFCCVEGCSA-N 1 2 349.439 0.158 20 30 ECEDLO Cn1nc(Br)c2c1nc[nH+]c2NCCn1cnc(C#N)n1 ZINC000286304099 264387666 /nfs/dbraw/zinc/38/76/66/264387666.db2.gz INDYSWJZQFPUKT-UHFFFAOYSA-N 1 2 348.168 0.701 20 30 ECEDLO N#Cc1cccnc1N1CC[NH+](C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000284143312 270005581 /nfs/dbraw/zinc/00/55/81/270005581.db2.gz OXYXSWPDOASTFJ-CQSZACIVSA-N 1 2 334.445 0.900 20 30 ECEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)cc2)C(N)=O)cc1 ZINC000360075589 270007078 /nfs/dbraw/zinc/00/70/78/270007078.db2.gz OKPPYDDPCREUTR-OAHLLOKOSA-N 1 2 344.396 0.522 20 30 ECEDLO COC(=O)c1cccc(C[N@@H+]2CCc3nn(C)c(=O)cc3C2)c1C#N ZINC000534471051 270008462 /nfs/dbraw/zinc/00/84/62/270008462.db2.gz ZHDWIJHHKRWXOD-UHFFFAOYSA-N 1 2 338.367 0.997 20 30 ECEDLO COC(=O)c1cccc(C[N@H+]2CCc3nn(C)c(=O)cc3C2)c1C#N ZINC000534471051 270008463 /nfs/dbraw/zinc/00/84/63/270008463.db2.gz ZHDWIJHHKRWXOD-UHFFFAOYSA-N 1 2 338.367 0.997 20 30 ECEDLO CCN1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000337010111 266148166 /nfs/dbraw/zinc/14/81/66/266148166.db2.gz LEWAVCMDFINYBM-NWDGAFQWSA-N 1 2 328.380 0.339 20 30 ECEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCN2C(=O)N(C)C[C@H]2C1 ZINC000370085216 266796095 /nfs/dbraw/zinc/79/60/95/266796095.db2.gz SVPKTWRPIDAPLI-AWEZNQCLSA-N 1 2 330.388 0.997 20 30 ECEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCN2C(=O)N(C)C[C@H]2C1 ZINC000370085216 266796097 /nfs/dbraw/zinc/79/60/97/266796097.db2.gz SVPKTWRPIDAPLI-AWEZNQCLSA-N 1 2 330.388 0.997 20 30 ECEDLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cncc(C#N)c1 ZINC000289428704 267049073 /nfs/dbraw/zinc/04/90/73/267049073.db2.gz ITJQJKCKFCBZFA-GFCCVEGCSA-N 1 2 338.433 0.419 20 30 ECEDLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cncc(C#N)c1 ZINC000289428704 267049075 /nfs/dbraw/zinc/04/90/75/267049075.db2.gz ITJQJKCKFCBZFA-GFCCVEGCSA-N 1 2 338.433 0.419 20 30 ECEDLO C[C@H](CNS(=O)(=O)c1ccc(C#N)o1)C[NH+]1CCN(C)CC1 ZINC000287676988 267163155 /nfs/dbraw/zinc/16/31/55/267163155.db2.gz DMULPMYHGRLRBR-GFCCVEGCSA-N 1 2 326.422 0.313 20 30 ECEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000289463995 267169079 /nfs/dbraw/zinc/16/90/79/267169079.db2.gz HFZPZQNHIZKKRF-GFCCVEGCSA-N 1 2 347.400 0.238 20 30 ECEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1c[nH+]c[nH]1 ZINC000360930417 267186918 /nfs/dbraw/zinc/18/69/18/267186918.db2.gz LRNOOFSUPCYDON-JTQLQIEISA-N 1 2 333.373 0.265 20 30 ECEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1c[nH]c[nH+]1 ZINC000360930417 267186920 /nfs/dbraw/zinc/18/69/20/267186920.db2.gz LRNOOFSUPCYDON-JTQLQIEISA-N 1 2 333.373 0.265 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)C[C@H]1C ZINC000288460978 267191344 /nfs/dbraw/zinc/19/13/44/267191344.db2.gz VYJLCFJZCHCABM-KGLIPLIRSA-N 1 2 337.445 0.775 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)C[C@H]1C ZINC000288460978 267191346 /nfs/dbraw/zinc/19/13/46/267191346.db2.gz VYJLCFJZCHCABM-KGLIPLIRSA-N 1 2 337.445 0.775 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000331867134 267240714 /nfs/dbraw/zinc/24/07/14/267240714.db2.gz LVLZLVQJFROPFC-LBPRGKRZSA-N 1 2 325.376 0.741 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000331867134 267240716 /nfs/dbraw/zinc/24/07/16/267240716.db2.gz LVLZLVQJFROPFC-LBPRGKRZSA-N 1 2 325.376 0.741 20 30 ECEDLO C[C@H]1NC(=O)N(CC[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1=O ZINC000331678207 267243463 /nfs/dbraw/zinc/24/34/63/267243463.db2.gz ZQYMXTDDZUZKJN-DOMZBBRYSA-N 1 2 328.372 0.872 20 30 ECEDLO C[C@H]1NC(=O)N(CC[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1=O ZINC000331678207 267243466 /nfs/dbraw/zinc/24/34/66/267243466.db2.gz ZQYMXTDDZUZKJN-DOMZBBRYSA-N 1 2 328.372 0.872 20 30 ECEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CC[C@@H](n4cncn4)C3)C2=O)cc1 ZINC000368883100 268105322 /nfs/dbraw/zinc/10/53/22/268105322.db2.gz WBHXFDTXDMHSSB-CABCVRRESA-N 1 2 336.355 0.729 20 30 ECEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3CC[C@@H](n4cncn4)C3)C2=O)cc1 ZINC000368883100 268105323 /nfs/dbraw/zinc/10/53/23/268105323.db2.gz WBHXFDTXDMHSSB-CABCVRRESA-N 1 2 336.355 0.729 20 30 ECEDLO N#Cc1ccc(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000339879203 268130795 /nfs/dbraw/zinc/13/07/95/268130795.db2.gz LDEATHQHISPSHO-UHFFFAOYSA-N 1 2 336.355 0.636 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)s1 ZINC000377063484 268195972 /nfs/dbraw/zinc/19/59/72/268195972.db2.gz XBBZCDOMFAHXRD-GFCCVEGCSA-N 1 2 341.458 0.963 20 30 ECEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(c3n[nH]c(=O)[nH]3)CC2)cc1 ZINC000343748704 268213282 /nfs/dbraw/zinc/21/32/82/268213282.db2.gz LKQVFIKYQBXNFF-CYBMUJFWSA-N 1 2 326.360 0.788 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000372470774 268275751 /nfs/dbraw/zinc/27/57/51/268275751.db2.gz CHCLPTAICBRTQW-CQSZACIVSA-N 1 2 331.401 0.870 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000372470774 268275752 /nfs/dbraw/zinc/27/57/52/268275752.db2.gz CHCLPTAICBRTQW-CQSZACIVSA-N 1 2 331.401 0.870 20 30 ECEDLO CN(C)C(=O)N1CC[N@H+](CC(=O)N(CCC#N)CCC#N)C(C)(C)C1 ZINC000330704233 437594938 /nfs/dbraw/zinc/59/49/38/437594938.db2.gz QRCWZBDOLCJNBC-UHFFFAOYSA-N 1 2 348.451 0.720 20 30 ECEDLO CN(C)C(=O)N1CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C(C)(C)C1 ZINC000330704233 437594943 /nfs/dbraw/zinc/59/49/43/437594943.db2.gz QRCWZBDOLCJNBC-UHFFFAOYSA-N 1 2 348.451 0.720 20 30 ECEDLO CON=CC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000495633455 277274320 /nfs/dbraw/zinc/27/43/20/277274320.db2.gz LGIIWRQLWIQOLJ-ZDUSSCGKSA-N 1 2 340.424 0.772 20 30 ECEDLO CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCCCS2(=O)=O)CC1 ZINC000329571985 288104715 /nfs/dbraw/zinc/10/47/15/288104715.db2.gz QXWQFUUARNLAOV-UONOGXRCSA-N 1 2 347.481 0.256 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC000291600729 437610032 /nfs/dbraw/zinc/61/00/32/437610032.db2.gz AAEXHEXCMCIJBI-NWDGAFQWSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC000291600729 437610038 /nfs/dbraw/zinc/61/00/38/437610038.db2.gz AAEXHEXCMCIJBI-NWDGAFQWSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000444807911 298135177 /nfs/dbraw/zinc/13/51/77/298135177.db2.gz YEQBLCOYUOUHQJ-CHWSQXEVSA-N 1 2 327.450 0.836 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000444807911 298135180 /nfs/dbraw/zinc/13/51/80/298135180.db2.gz YEQBLCOYUOUHQJ-CHWSQXEVSA-N 1 2 327.450 0.836 20 30 ECEDLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000026976344 436170725 /nfs/dbraw/zinc/17/07/25/436170725.db2.gz KBCAQHRVAZZKHD-UHFFFAOYSA-N 1 2 336.417 0.047 20 30 ECEDLO CN(CCC#N)S(=O)(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000028042035 436185389 /nfs/dbraw/zinc/18/53/89/436185389.db2.gz TWRYNUAJRLETJK-UHFFFAOYSA-N 1 2 339.421 0.098 20 30 ECEDLO CCNC(=O)N1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000078615677 436273487 /nfs/dbraw/zinc/27/34/87/436273487.db2.gz CXQKQZNDWBSCHK-HNNXBMFYSA-N 1 2 332.404 0.645 20 30 ECEDLO C#CCNC(=O)[C@@H](C)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000044741467 436347064 /nfs/dbraw/zinc/34/70/64/436347064.db2.gz VTBKIZLEHJQPQR-HZPDHXFCSA-N 1 2 334.464 0.143 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000044741467 436347067 /nfs/dbraw/zinc/34/70/67/436347067.db2.gz VTBKIZLEHJQPQR-HZPDHXFCSA-N 1 2 334.464 0.143 20 30 ECEDLO C[C@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000083559554 436374069 /nfs/dbraw/zinc/37/40/69/436374069.db2.gz KPLQXCWZRYGART-YOEHRIQHSA-N 1 2 346.431 0.954 20 30 ECEDLO CC(=O)N1CC[NH+](CCNC(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000045852536 436377881 /nfs/dbraw/zinc/37/78/81/436377881.db2.gz HQHUEBLVWSRTPQ-AWEZNQCLSA-N 1 2 344.415 0.606 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(F)c(C(=O)N(C)C)c2)CC1 ZINC000085280922 436387490 /nfs/dbraw/zinc/38/74/90/436387490.db2.gz ZOLLVVRSVRKWTQ-UHFFFAOYSA-N 1 2 346.406 0.717 20 30 ECEDLO N#CCSCC(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000046999250 436407513 /nfs/dbraw/zinc/40/75/13/436407513.db2.gz HPKNXMJYSNIZRF-UHFFFAOYSA-N 1 2 332.429 0.686 20 30 ECEDLO N#Cc1ccc(OCC[NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 ZINC000047406194 436417275 /nfs/dbraw/zinc/41/72/75/436417275.db2.gz YMVKFWFXCILCAD-UHFFFAOYSA-N 1 2 342.399 0.360 20 30 ECEDLO C#Cc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000105741387 436576131 /nfs/dbraw/zinc/57/61/31/436576131.db2.gz YGMSTXTUXPTHHI-ZIAGYGMSSA-N 1 2 329.400 0.832 20 30 ECEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC000106463201 436595866 /nfs/dbraw/zinc/59/58/66/436595866.db2.gz XCLXVVTXXNVHDZ-GJZGRUSLSA-N 1 2 342.447 0.975 20 30 ECEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000057666287 436614277 /nfs/dbraw/zinc/61/42/77/436614277.db2.gz UTAGWMNFTWPGMW-CYBMUJFWSA-N 1 2 330.388 0.642 20 30 ECEDLO N#CCCCS(=O)(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000111327152 436630308 /nfs/dbraw/zinc/63/03/08/436630308.db2.gz YFYCJGNYBBLLEB-UHFFFAOYSA-N 1 2 342.465 0.250 20 30 ECEDLO N#CCCCS(=O)(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000111327152 436630311 /nfs/dbraw/zinc/63/03/11/436630311.db2.gz YFYCJGNYBBLLEB-UHFFFAOYSA-N 1 2 342.465 0.250 20 30 ECEDLO CN1CC[C@H](ON=C(N)c2cccc(C[NH+]3CCOCC3)c2)C1=O ZINC000116267755 436649491 /nfs/dbraw/zinc/64/94/91/436649491.db2.gz QNXCLJUQFRHRBO-HNNXBMFYSA-N 1 2 332.404 0.386 20 30 ECEDLO N#Cc1cnn2cc(C[NH2+]Cc3nnnn3-c3ccccc3)cnc12 ZINC000550852421 302350779 /nfs/dbraw/zinc/35/07/79/302350779.db2.gz ILVXEWUQLQRQPY-UHFFFAOYSA-N 1 2 331.343 0.866 20 30 ECEDLO C=CC[C@@H](C)NC(=O)N1CC[NH+]([C@H](C)C(=O)NCCCOC)CC1 ZINC000116971978 436655932 /nfs/dbraw/zinc/65/59/32/436655932.db2.gz ABXPFDNKXCNNRX-HUUCEWRRSA-N 1 2 340.468 0.819 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(F)cc2OCC#N)CC1 ZINC000150777683 436691218 /nfs/dbraw/zinc/69/12/18/436691218.db2.gz HDEAHWHNWYXHCZ-UHFFFAOYSA-N 1 2 330.363 0.917 20 30 ECEDLO CCN(CCC#N)C(=O)C[NH2+][C@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000120782976 436697967 /nfs/dbraw/zinc/69/79/67/436697967.db2.gz YLMXNTGGMOLHPZ-LBPRGKRZSA-N 1 2 346.395 0.904 20 30 ECEDLO COc1ccnc(N2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)n1 ZINC000140277038 436667685 /nfs/dbraw/zinc/66/76/85/436667685.db2.gz RLOIKZZHCBNPKZ-ZDUSSCGKSA-N 1 2 332.408 0.368 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000270476118 436674108 /nfs/dbraw/zinc/67/41/08/436674108.db2.gz IPCMQHIEYLOAFK-UHFFFAOYSA-N 1 2 344.415 0.540 20 30 ECEDLO CON=Cc1ccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)OC)cc1 ZINC000270490063 436674556 /nfs/dbraw/zinc/67/45/56/436674556.db2.gz OIDJARXNDWROBS-YUYIWDJPSA-N 1 2 330.344 0.904 20 30 ECEDLO CO/N=C/c1ccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)OC)cc1 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/nfs/dbraw/zinc/13/79/04/437137904.db2.gz CRWFVXOZICHYME-CQSZACIVSA-N 1 2 335.429 0.790 20 30 ECEDLO CNC(=O)[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000176239285 437137907 /nfs/dbraw/zinc/13/79/07/437137907.db2.gz CRWFVXOZICHYME-CQSZACIVSA-N 1 2 335.429 0.790 20 30 ECEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@@H](O)CN1CCOCC1 ZINC000177356339 437181212 /nfs/dbraw/zinc/18/12/12/437181212.db2.gz XXEMMYCJFTXHBU-MRXNPFEDSA-N 1 2 332.404 0.122 20 30 ECEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@@H](O)CN1CCOCC1 ZINC000177356339 437181217 /nfs/dbraw/zinc/18/12/17/437181217.db2.gz XXEMMYCJFTXHBU-MRXNPFEDSA-N 1 2 332.404 0.122 20 30 ECEDLO CS(=O)(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000323805345 437225422 /nfs/dbraw/zinc/22/54/22/437225422.db2.gz HQZKGXKDGXYBQN-GJZGRUSLSA-N 1 2 338.429 0.807 20 30 ECEDLO CS(=O)(=O)[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000323805345 437225426 /nfs/dbraw/zinc/22/54/26/437225426.db2.gz HQZKGXKDGXYBQN-GJZGRUSLSA-N 1 2 338.429 0.807 20 30 ECEDLO Cn1nnnc1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000332494050 437225956 /nfs/dbraw/zinc/22/59/56/437225956.db2.gz WDCUKASMSJPIEX-UHFFFAOYSA-N 1 2 325.376 0.932 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000332673518 437242480 /nfs/dbraw/zinc/24/24/80/437242480.db2.gz JCKLGWAUPBQIEE-YVEFUNNKSA-N 1 2 331.420 0.581 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000332673518 437242483 /nfs/dbraw/zinc/24/24/83/437242483.db2.gz JCKLGWAUPBQIEE-YVEFUNNKSA-N 1 2 331.420 0.581 20 30 ECEDLO CCOC(=O)CO/N=C(/C(=O)N[C@@H](C)Cn1cc[nH+]c1)c1cc[nH]n1 ZINC000277765552 437251349 /nfs/dbraw/zinc/25/13/49/437251349.db2.gz DILYBAQPWHIOAL-BTNWAMHGSA-N 1 2 348.363 0.095 20 30 ECEDLO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[S@@](=O)C1 ZINC000328728324 437258139 /nfs/dbraw/zinc/25/81/39/437258139.db2.gz VOHOQLKLENTHRK-MCMMXHMISA-N 1 2 331.482 0.712 20 30 ECEDLO C[C@H]1CN(C(=O)Nc2ccn(CCC#N)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000333108999 437258901 /nfs/dbraw/zinc/25/89/01/437258901.db2.gz FCHLZUFFVDSTRR-KBPBESRZSA-N 1 2 332.408 0.981 20 30 ECEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000329041329 437306511 /nfs/dbraw/zinc/30/65/11/437306511.db2.gz STVWADVIIMCVTI-KKUMJFAQSA-N 1 2 339.436 0.834 20 30 ECEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000329041329 437306516 /nfs/dbraw/zinc/30/65/16/437306516.db2.gz STVWADVIIMCVTI-KKUMJFAQSA-N 1 2 339.436 0.834 20 30 ECEDLO CC(=O)N1CCC[C@](O)(C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000329073644 437313509 /nfs/dbraw/zinc/31/35/09/437313509.db2.gz OZHFITAZSLEGQL-MRXNPFEDSA-N 1 2 325.409 0.181 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3nccs3)c2)C1 ZINC001077981406 782066395 /nfs/dbraw/zinc/06/63/95/782066395.db2.gz MVEVBCAYBQDYBA-CHWSQXEVSA-N 1 2 331.401 0.127 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3nccs3)c2)C1 ZINC001077981406 782066406 /nfs/dbraw/zinc/06/64/06/782066406.db2.gz MVEVBCAYBQDYBA-CHWSQXEVSA-N 1 2 331.401 0.127 20 30 ECEDLO NC(CN1CCOCC1)=[NH+]OCc1nc(Cc2cccc(F)c2)no1 ZINC000278191468 437289737 /nfs/dbraw/zinc/28/97/37/437289737.db2.gz DRZIWYIQWBMZMO-UHFFFAOYSA-N 1 2 349.366 0.921 20 30 ECEDLO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](NC(N)=O)C1)C(=O)N1CCCCC1 ZINC000328956289 437291681 /nfs/dbraw/zinc/29/16/81/437291681.db2.gz ZEVPAYMTIZTBDZ-NWDGAFQWSA-N 1 2 325.413 0.501 20 30 ECEDLO C[C@H](NC(=O)C[N@H+]1CC[C@@H](NC(N)=O)C1)C(=O)N1CCCCC1 ZINC000328956289 437291684 /nfs/dbraw/zinc/29/16/84/437291684.db2.gz ZEVPAYMTIZTBDZ-NWDGAFQWSA-N 1 2 325.413 0.501 20 30 ECEDLO C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(C#N)s3)[C@@H]2C1 ZINC000328956326 437293249 /nfs/dbraw/zinc/29/32/49/437293249.db2.gz ZGIPSSIKIGQWHM-NEPJUHHUSA-N 1 2 327.431 0.713 20 30 ECEDLO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(C#N)s3)[C@@H]2C1 ZINC000328956326 437293253 /nfs/dbraw/zinc/29/32/53/437293253.db2.gz ZGIPSSIKIGQWHM-NEPJUHHUSA-N 1 2 327.431 0.713 20 30 ECEDLO Cn1c2ncn(CC[N@H+](CC#N)C3CCCC3)c2c(=O)n(C)c1=O ZINC000182329624 437346598 /nfs/dbraw/zinc/34/65/98/437346598.db2.gz GQIZKSHHZLYAPT-UHFFFAOYSA-N 1 2 330.392 0.202 20 30 ECEDLO Cn1c2ncn(CC[N@@H+](CC#N)C3CCCC3)c2c(=O)n(C)c1=O ZINC000182329624 437346602 /nfs/dbraw/zinc/34/66/02/437346602.db2.gz GQIZKSHHZLYAPT-UHFFFAOYSA-N 1 2 330.392 0.202 20 30 ECEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCC[C@H](O)C3)ccn2)CC1 ZINC000329281493 437346988 /nfs/dbraw/zinc/34/69/88/437346988.db2.gz MNSBZUCKENUNHF-AWEZNQCLSA-N 1 2 347.419 0.471 20 30 ECEDLO [O-]C(=[NH+][C@H]1COC[C@H]1n1ccnn1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329376168 437359751 /nfs/dbraw/zinc/35/97/51/437359751.db2.gz LGGMRNWOMZTUFA-UONOGXRCSA-N 1 2 331.380 0.735 20 30 ECEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)C1 ZINC000329433028 437367845 /nfs/dbraw/zinc/36/78/45/437367845.db2.gz IWUNAEAAJAYHEN-LSDHHAIUSA-N 1 2 338.452 0.565 20 30 ECEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)C1 ZINC000329433028 437367847 /nfs/dbraw/zinc/36/78/47/437367847.db2.gz IWUNAEAAJAYHEN-LSDHHAIUSA-N 1 2 338.452 0.565 20 30 ECEDLO CN1C(=O)CC[C@@H]1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000329239032 437339580 /nfs/dbraw/zinc/33/95/80/437339580.db2.gz LQEVTIZFZHXCTC-DOMZBBRYSA-N 1 2 327.450 0.772 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2CC(=O)NC2(C#N)CCC2)O1 ZINC000338360208 437405973 /nfs/dbraw/zinc/40/59/73/437405973.db2.gz PHRQBCWYNQLBQF-DGAVXFQQSA-N 1 2 335.404 0.732 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2CC(=O)NC2(C#N)CCC2)O1 ZINC000338360208 437405976 /nfs/dbraw/zinc/40/59/76/437405976.db2.gz PHRQBCWYNQLBQF-DGAVXFQQSA-N 1 2 335.404 0.732 20 30 ECEDLO Nc1nsc(N2CCN(C([O-])=[NH+][C@H]3CCc4[nH]c[nH+]c4C3)CC2)n1 ZINC000329757748 437409318 /nfs/dbraw/zinc/40/93/18/437409318.db2.gz ZONWBUBXBVCTHI-VIFPVBQESA-N 1 2 348.436 0.437 20 30 ECEDLO Nc1nsc(N2CCN(C([O-])=[NH+][C@H]3CCc4[nH+]c[nH]c4C3)CC2)n1 ZINC000329757748 437409322 /nfs/dbraw/zinc/40/93/22/437409322.db2.gz ZONWBUBXBVCTHI-VIFPVBQESA-N 1 2 348.436 0.437 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N(C)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000337771025 437379756 /nfs/dbraw/zinc/37/97/56/437379756.db2.gz OGSHNLRZXOTPMW-MGPQQGTHSA-N 1 2 332.470 0.506 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183743011 437390790 /nfs/dbraw/zinc/39/07/90/437390790.db2.gz DHWUMMAEGNCECV-AWEZNQCLSA-N 1 2 329.466 0.615 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183743011 437390797 /nfs/dbraw/zinc/39/07/97/437390797.db2.gz DHWUMMAEGNCECV-AWEZNQCLSA-N 1 2 329.466 0.615 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)CN1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000183805610 437392162 /nfs/dbraw/zinc/39/21/62/437392162.db2.gz CJWXBMDODYQRQF-CQSZACIVSA-N 1 2 330.436 0.915 20 30 ECEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCN(c2ncc(F)cn2)CC1 ZINC000329626822 437392405 /nfs/dbraw/zinc/39/24/05/437392405.db2.gz UCFJHIDKBRHEMJ-GFCCVEGCSA-N 1 2 345.382 0.932 20 30 ECEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCN(c2ncc(F)cn2)CC1 ZINC000329626822 437392409 /nfs/dbraw/zinc/39/24/09/437392409.db2.gz UCFJHIDKBRHEMJ-GFCCVEGCSA-N 1 2 345.382 0.932 20 30 ECEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CCOC3(CCOCC3)C2)C1 ZINC000330239816 437472536 /nfs/dbraw/zinc/47/25/36/437472536.db2.gz DWZIGIWQLHPEKB-UONOGXRCSA-N 1 2 327.425 0.549 20 30 ECEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2CCOC3(CCOCC3)C2)C1 ZINC000330239816 437472538 /nfs/dbraw/zinc/47/25/38/437472538.db2.gz DWZIGIWQLHPEKB-UONOGXRCSA-N 1 2 327.425 0.549 20 30 ECEDLO CN1C(=O)COc2ccc(NC(=O)N3C[C@H]4OCC[N@H+](C)[C@H]4C3)cc21 ZINC000329948983 437436236 /nfs/dbraw/zinc/43/62/36/437436236.db2.gz ZOVDTPMDMMAEFS-DZGCQCFKSA-N 1 2 346.387 0.602 20 30 ECEDLO CN1C(=O)COc2ccc(NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)cc21 ZINC000329948983 437436240 /nfs/dbraw/zinc/43/62/40/437436240.db2.gz ZOVDTPMDMMAEFS-DZGCQCFKSA-N 1 2 346.387 0.602 20 30 ECEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)NCCc2cnccn2)CCN1C ZINC000329968269 437440071 /nfs/dbraw/zinc/44/00/71/437440071.db2.gz WOPITLKVKSYASP-CQSZACIVSA-N 1 2 329.408 0.655 20 30 ECEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)NCCc2cnccn2)CCN1C ZINC000329968267 437440109 /nfs/dbraw/zinc/44/01/09/437440109.db2.gz WOPITLKVKSYASP-AWEZNQCLSA-N 1 2 329.408 0.655 20 30 ECEDLO Cc1noc([C@@H](C)NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)n1 ZINC000329990449 437442847 /nfs/dbraw/zinc/44/28/47/437442847.db2.gz IZXRAYVUXHZJIO-LLVKDONJSA-N 1 2 349.395 0.994 20 30 ECEDLO C[C@]1(CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCOC1 ZINC000329991178 437443569 /nfs/dbraw/zinc/44/35/69/437443569.db2.gz JRCRUFMTSBEXFV-MRXNPFEDSA-N 1 2 337.424 0.968 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000339151182 437445527 /nfs/dbraw/zinc/44/55/27/437445527.db2.gz HAWITYAAGPQKRV-KBPBESRZSA-N 1 2 329.466 0.751 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000339151182 437445529 /nfs/dbraw/zinc/44/55/29/437445529.db2.gz HAWITYAAGPQKRV-KBPBESRZSA-N 1 2 329.466 0.751 20 30 ECEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[C@@H](N2CCCC2=O)C1 ZINC000330073147 437449713 /nfs/dbraw/zinc/44/97/13/437449713.db2.gz ZOZNUTNWRKGQKU-CQSZACIVSA-N 1 2 338.452 0.708 20 30 ECEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CC[C@@H](N2CCCC2=O)C1 ZINC000330073147 437449719 /nfs/dbraw/zinc/44/97/19/437449719.db2.gz ZOZNUTNWRKGQKU-CQSZACIVSA-N 1 2 338.452 0.708 20 30 ECEDLO COC(=O)C[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290015700 437456651 /nfs/dbraw/zinc/45/66/51/437456651.db2.gz SLQNKRJGZNSDKL-CYBMUJFWSA-N 1 2 337.401 0.754 20 30 ECEDLO COC(=O)C[C@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290015700 437456652 /nfs/dbraw/zinc/45/66/52/437456652.db2.gz SLQNKRJGZNSDKL-CYBMUJFWSA-N 1 2 337.401 0.754 20 30 ECEDLO CCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1c[nH+]cn1C ZINC000290060829 437460712 /nfs/dbraw/zinc/46/07/12/437460712.db2.gz NCDUBGPAMOOPKN-UHFFFAOYSA-N 1 2 327.344 0.945 20 30 ECEDLO N#Cc1ncn(CC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000330203084 437467170 /nfs/dbraw/zinc/46/71/70/437467170.db2.gz ALXPQNIQROQGPG-AWEZNQCLSA-N 1 2 336.421 0.314 20 30 ECEDLO Cc1c(C(=O)NCC[N@H+]2CCOC[C@@H]2C)cccc1S(N)(=O)=O ZINC000330418436 437507325 /nfs/dbraw/zinc/50/73/25/437507325.db2.gz DIOBIKAWJLGMJZ-NSHDSACASA-N 1 2 341.433 0.668 20 30 ECEDLO Cc1c(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cccc1S(N)(=O)=O ZINC000330418436 437507330 /nfs/dbraw/zinc/50/73/30/437507330.db2.gz DIOBIKAWJLGMJZ-NSHDSACASA-N 1 2 341.433 0.668 20 30 ECEDLO C=CCOCC[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000330438803 437510992 /nfs/dbraw/zinc/51/09/92/437510992.db2.gz SOSTWQRSSKEVSE-GASCZTMLSA-N 1 2 347.481 0.161 20 30 ECEDLO C=CCCCNC(=O)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000343161829 437519049 /nfs/dbraw/zinc/51/90/49/437519049.db2.gz KSQNDCPILCCFIB-MRXNPFEDSA-N 1 2 341.477 0.393 20 30 ECEDLO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000330596152 437563394 /nfs/dbraw/zinc/56/33/94/437563394.db2.gz YBKFJFIHROKOCQ-CHWSQXEVSA-N 1 2 326.441 0.516 20 30 ECEDLO C[C@H](CC#N)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000360290612 437576841 /nfs/dbraw/zinc/57/68/41/437576841.db2.gz DFKHPLOLDPHYDQ-GFCCVEGCSA-N 1 2 330.392 0.893 20 30 ECEDLO CN(C)c1ccc(CNC(=O)C(=O)NCc2cccc(C#N)c2)c[nH+]1 ZINC000340147327 437584778 /nfs/dbraw/zinc/58/47/78/437584778.db2.gz KVKSNNRGNZXTJI-UHFFFAOYSA-N 1 2 337.383 0.952 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(C(=O)OC)c(C)n2C)CC1 ZINC000361182353 437656865 /nfs/dbraw/zinc/65/68/65/437656865.db2.gz YZURORKNZZNCQV-UHFFFAOYSA-N 1 2 348.447 0.540 20 30 ECEDLO CNC(=O)NC(=O)CC[N@@H+]1CCO[C@H](c2nnc(C(C)C)o2)C1 ZINC000331008847 437670309 /nfs/dbraw/zinc/67/03/09/437670309.db2.gz UNCJZNRRWFCZJN-JTQLQIEISA-N 1 2 325.369 0.616 20 30 ECEDLO CNC(=O)NC(=O)CC[N@H+]1CCO[C@H](c2nnc(C(C)C)o2)C1 ZINC000331008847 437670312 /nfs/dbraw/zinc/67/03/12/437670312.db2.gz UNCJZNRRWFCZJN-JTQLQIEISA-N 1 2 325.369 0.616 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000355112888 437671685 /nfs/dbraw/zinc/67/16/85/437671685.db2.gz ZWUJSEALVWEAHX-SUYBPPKGSA-N 1 2 335.452 0.965 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000355112888 437671692 /nfs/dbraw/zinc/67/16/92/437671692.db2.gz ZWUJSEALVWEAHX-SUYBPPKGSA-N 1 2 335.452 0.965 20 30 ECEDLO C=CCCOCCNC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000340513421 437680556 /nfs/dbraw/zinc/68/05/56/437680556.db2.gz QIXIYFCRVJZGEO-UHFFFAOYSA-N 1 2 346.431 0.876 20 30 ECEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000331136972 437695402 /nfs/dbraw/zinc/69/54/02/437695402.db2.gz DDQGJQHETLHQQX-KCQAQPDRSA-N 1 2 344.481 0.443 20 30 ECEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000331136972 437695406 /nfs/dbraw/zinc/69/54/06/437695406.db2.gz DDQGJQHETLHQQX-KCQAQPDRSA-N 1 2 344.481 0.443 20 30 ECEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC000331139731 437697558 /nfs/dbraw/zinc/69/75/58/437697558.db2.gz DZTWTLMCSNSYHX-RYUDHWBXSA-N 1 2 348.469 0.075 20 30 ECEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC000331139731 437697562 /nfs/dbraw/zinc/69/75/62/437697562.db2.gz DZTWTLMCSNSYHX-RYUDHWBXSA-N 1 2 348.469 0.075 20 30 ECEDLO Cn1nc(NC(=O)NCC[N@@H+]2CCOCC2(C)C)cc1OC(F)F ZINC000331168207 437707268 /nfs/dbraw/zinc/70/72/68/437707268.db2.gz HFCQPKJMEWKYHX-UHFFFAOYSA-N 1 2 347.366 1.458 20 30 ECEDLO Cn1nc(NC(=O)NCC[N@H+]2CCOCC2(C)C)cc1OC(F)F ZINC000331168207 437707274 /nfs/dbraw/zinc/70/72/74/437707274.db2.gz HFCQPKJMEWKYHX-UHFFFAOYSA-N 1 2 347.366 1.458 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1C(=O)NCc1ccco1 ZINC000340832404 437748750 /nfs/dbraw/zinc/74/87/50/437748750.db2.gz YQOIGBSITDXJSM-ZDUSSCGKSA-N 1 2 334.376 0.372 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1C(=O)NCc1ccco1 ZINC000340832404 437748752 /nfs/dbraw/zinc/74/87/52/437748752.db2.gz YQOIGBSITDXJSM-ZDUSSCGKSA-N 1 2 334.376 0.372 20 30 ECEDLO C#CCCCCC(=O)N1C[C@@H](O)[C@H]([N@H+](CC)Cc2nnc(C)o2)C1 ZINC000364704724 437820674 /nfs/dbraw/zinc/82/06/74/437820674.db2.gz CRDJJMFVASZFQZ-HUUCEWRRSA-N 1 2 334.420 0.965 20 30 ECEDLO C#CCCCCC(=O)N1C[C@@H](O)[C@H]([N@@H+](CC)Cc2nnc(C)o2)C1 ZINC000364704724 437820677 /nfs/dbraw/zinc/82/06/77/437820677.db2.gz CRDJJMFVASZFQZ-HUUCEWRRSA-N 1 2 334.420 0.965 20 30 ECEDLO C=CCNC(=O)CNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000346765929 437821140 /nfs/dbraw/zinc/82/11/40/437821140.db2.gz GATHNJONPXVHIH-CYBMUJFWSA-N 1 2 347.419 0.408 20 30 ECEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2cncc(OC)n2)CC1 ZINC000363217730 437777178 /nfs/dbraw/zinc/77/71/78/437777178.db2.gz BBVCQBCHJAOIIM-UHFFFAOYSA-N 1 2 332.408 0.369 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000345266189 437786821 /nfs/dbraw/zinc/78/68/21/437786821.db2.gz MSAUAZGUGMZEDN-ZIAGYGMSSA-N 1 2 330.454 0.119 20 30 ECEDLO N#Cc1cc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)ccc1F ZINC000341147331 437804281 /nfs/dbraw/zinc/80/42/81/437804281.db2.gz LNMQAYRKZZGRHT-UHFFFAOYSA-N 1 2 343.362 1.478 20 30 ECEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000341199201 437815236 /nfs/dbraw/zinc/81/52/36/437815236.db2.gz XKJNYZDACXQCCO-UHFFFAOYSA-N 1 2 344.394 0.999 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000370865738 437853606 /nfs/dbraw/zinc/85/36/06/437853606.db2.gz YOQIOAAPJMDLHK-UONOGXRCSA-N 1 2 344.481 0.397 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000370865738 437853611 /nfs/dbraw/zinc/85/36/11/437853611.db2.gz YOQIOAAPJMDLHK-UONOGXRCSA-N 1 2 344.481 0.397 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2nc(C)cc(C#N)n2)CC1 ZINC000341994578 437934200 /nfs/dbraw/zinc/93/42/00/437934200.db2.gz NXKNTHHFLURXPU-AWEZNQCLSA-N 1 2 346.435 0.320 20 30 ECEDLO CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC(C#N)(COC)CC1)C(=O)OC ZINC000341998648 437937695 /nfs/dbraw/zinc/93/76/95/437937695.db2.gz VHUJFPLIRMDPEI-ZFWWWQNUSA-N 1 2 339.436 0.942 20 30 ECEDLO CC[N@H+](CC(=O)NCC#N)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000342175470 437975593 /nfs/dbraw/zinc/97/55/93/437975593.db2.gz RDZMIUWJIGZUDR-UHFFFAOYSA-N 1 2 332.360 0.358 20 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/nfs/dbraw/zinc/01/80/89/438018089.db2.gz PWTOFPHWOIKNAV-UHFFFAOYSA-N 1 2 331.428 0.747 20 30 ECEDLO C=CCn1cc(CNc2nc(NCC)[nH+]c(NC(C)(C)C)n2)nn1 ZINC000425264607 438018092 /nfs/dbraw/zinc/01/80/92/438018092.db2.gz PWTOFPHWOIKNAV-UHFFFAOYSA-N 1 2 331.428 0.747 20 30 ECEDLO C=CCn1cc(CNc2nc(NCC)nc(NC(C)(C)C)[nH+]2)nn1 ZINC000425264607 438018097 /nfs/dbraw/zinc/01/80/97/438018097.db2.gz PWTOFPHWOIKNAV-UHFFFAOYSA-N 1 2 331.428 0.747 20 30 ECEDLO N#CC[C@@H](CC(=O)N[C@H](CO)C[NH+]1CCOCC1)c1ccccc1 ZINC000425296738 438022673 /nfs/dbraw/zinc/02/26/73/438022673.db2.gz TUBQOXHXIIEJIR-IRXDYDNUSA-N 1 2 331.416 0.883 20 30 ECEDLO C#CCCCS(=O)(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000366214047 438037904 /nfs/dbraw/zinc/03/79/04/438037904.db2.gz ZWUHQWLLUJESPP-UHFFFAOYSA-N 1 2 341.477 0.360 20 30 ECEDLO C#CCCCS(=O)(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000366214047 438037908 /nfs/dbraw/zinc/03/79/08/438037908.db2.gz ZWUHQWLLUJESPP-UHFFFAOYSA-N 1 2 341.477 0.360 20 30 ECEDLO C=CCOC[C@@H](NC(=O)C1CC[NH+](CC(F)F)CC1)C(=O)OC ZINC000357670547 438040202 /nfs/dbraw/zinc/04/02/02/438040202.db2.gz MNFMGBMKSRHVGP-GFCCVEGCSA-N 1 2 334.363 0.824 20 30 ECEDLO C=CC[N@@H+](C)CCN(CC)[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000429708316 438104357 /nfs/dbraw/zinc/10/43/57/438104357.db2.gz JVDYZOOFGBNJAD-KBPBESRZSA-N 1 2 331.482 0.118 20 30 ECEDLO C=CC[N@H+](C)CCN(CC)[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000429708316 438104361 /nfs/dbraw/zinc/10/43/61/438104361.db2.gz JVDYZOOFGBNJAD-KBPBESRZSA-N 1 2 331.482 0.118 20 30 ECEDLO N#CCC(=O)N1CCN(C(=O)C2CC[NH+](CC(F)F)CC2)CC1 ZINC000348587653 438077203 /nfs/dbraw/zinc/07/72/03/438077203.db2.gz JYOFBCCSZMGWRL-UHFFFAOYSA-N 1 2 328.363 0.548 20 30 ECEDLO C=CCN(C(=O)CN1CC[NH2+]CC1=O)c1nc2c(s1)CCCC2 ZINC000429763828 438106785 /nfs/dbraw/zinc/10/67/85/438106785.db2.gz ZFHAYNWJVVYIKO-UHFFFAOYSA-N 1 2 334.445 0.973 20 30 ECEDLO COCCCS(=O)(=O)N1CC[NH+](CCCSCC#N)CC1 ZINC000431156921 438147736 /nfs/dbraw/zinc/14/77/36/438147736.db2.gz 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/nfs/dbraw/zinc/21/88/43/438218843.db2.gz OSNHJSICSQEDID-LBPRGKRZSA-N 1 2 337.298 0.426 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@](C(=O)OC)(C(F)(F)F)C1 ZINC000367531373 438218850 /nfs/dbraw/zinc/21/88/50/438218850.db2.gz OSNHJSICSQEDID-LBPRGKRZSA-N 1 2 337.298 0.426 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000374823346 438230067 /nfs/dbraw/zinc/23/00/67/438230067.db2.gz KZBWEZKOLNFMQA-UHFFFAOYSA-N 1 2 341.477 0.687 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000374823346 438230071 /nfs/dbraw/zinc/23/00/71/438230071.db2.gz KZBWEZKOLNFMQA-UHFFFAOYSA-N 1 2 341.477 0.687 20 30 ECEDLO N#Cc1ncn(CCNC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000367854937 438257828 /nfs/dbraw/zinc/25/78/28/438257828.db2.gz DLIMFTSWICNUCB-ZDUSSCGKSA-N 1 2 340.391 0.513 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 ZINC000378018777 438336610 /nfs/dbraw/zinc/33/66/10/438336610.db2.gz NJEHHTBNBZYGOF-KGLIPLIRSA-N 1 2 336.436 0.768 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 ZINC000378018777 438336615 /nfs/dbraw/zinc/33/66/15/438336615.db2.gz NJEHHTBNBZYGOF-KGLIPLIRSA-N 1 2 336.436 0.768 20 30 ECEDLO C#CCC(CC#C)C(=O)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000376994174 438298299 /nfs/dbraw/zinc/29/82/99/438298299.db2.gz SSROTLNWEBCUQH-KRWDZBQOSA-N 1 2 345.443 0.089 20 30 ECEDLO CC[N@H+](Cc1nnc(C)o1)[C@@H]1CN(C(=O)CC(C)(C)C#N)C[C@H]1O ZINC000377302787 438307338 /nfs/dbraw/zinc/30/73/38/438307338.db2.gz GYHQIDZBZZVLJG-CHWSQXEVSA-N 1 2 335.408 0.712 20 30 ECEDLO CC[N@@H+](Cc1nnc(C)o1)[C@@H]1CN(C(=O)CC(C)(C)C#N)C[C@H]1O ZINC000377302787 438307344 /nfs/dbraw/zinc/30/73/44/438307344.db2.gz GYHQIDZBZZVLJG-CHWSQXEVSA-N 1 2 335.408 0.712 20 30 ECEDLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC1 ZINC000368837897 438390147 /nfs/dbraw/zinc/39/01/47/438390147.db2.gz IHWFDTOXRSTXTQ-CQSZACIVSA-N 1 2 344.415 0.606 20 30 ECEDLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC1 ZINC000368837897 438390149 /nfs/dbraw/zinc/39/01/49/438390149.db2.gz IHWFDTOXRSTXTQ-CQSZACIVSA-N 1 2 344.415 0.606 20 30 ECEDLO C=CCN1CC[C@@H](N2CC[NH+](C3(C(N)=O)CCCCC3)CC2)C1=O ZINC000369049306 438418292 /nfs/dbraw/zinc/41/82/92/438418292.db2.gz SZMHBCCVMWDOEV-OAHLLOKOSA-N 1 2 334.464 0.579 20 30 ECEDLO COCCNC(=O)C[NH+]1CCN(Cc2cccc(C#N)c2F)CC1 ZINC000352879508 438487872 /nfs/dbraw/zinc/48/78/72/438487872.db2.gz AEHGLCCFAGIRMQ-UHFFFAOYSA-N 1 2 334.395 0.578 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](CC)O[C@@]2(CCCOC2)C1 ZINC000369552893 438489090 /nfs/dbraw/zinc/48/90/90/438489090.db2.gz SJDZEBFKLZGQNJ-BBRMVZONSA-N 1 2 325.409 0.658 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](CC)O[C@@]2(CCCOC2)C1 ZINC000369552893 438489094 /nfs/dbraw/zinc/48/90/94/438489094.db2.gz SJDZEBFKLZGQNJ-BBRMVZONSA-N 1 2 325.409 0.658 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000352603992 438448484 /nfs/dbraw/zinc/44/84/84/438448484.db2.gz RBFIJKBPTVDFNB-KBPBESRZSA-N 1 2 330.454 0.262 20 30 ECEDLO CN(C)C(=O)COC1C[NH+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000353009190 438500093 /nfs/dbraw/zinc/50/00/93/438500093.db2.gz FPKBTPPOBBFAEJ-AWEZNQCLSA-N 1 2 333.388 0.087 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)Cc2c(F)cccc2C#N)CC1 ZINC000353375221 438504550 /nfs/dbraw/zinc/50/45/50/438504550.db2.gz RNQCQTCDRDIHJK-UHFFFAOYSA-N 1 2 332.379 0.648 20 30 ECEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCC(C)(C)CC#N)C[C@H](C)O1 ZINC000422486911 438577746 /nfs/dbraw/zinc/57/77/46/438577746.db2.gz IJGDUDXSMUNOJJ-OKILXGFUSA-N 1 2 338.452 0.610 20 30 ECEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCC(C)(C)CC#N)C[C@H](C)O1 ZINC000422486911 438577747 /nfs/dbraw/zinc/57/77/47/438577747.db2.gz IJGDUDXSMUNOJJ-OKILXGFUSA-N 1 2 338.452 0.610 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000444789582 438664091 /nfs/dbraw/zinc/66/40/91/438664091.db2.gz FFAIZNSFLYFMNO-KBPBESRZSA-N 1 2 329.466 0.894 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000444789582 438664094 /nfs/dbraw/zinc/66/40/94/438664094.db2.gz FFAIZNSFLYFMNO-KBPBESRZSA-N 1 2 329.466 0.894 20 30 ECEDLO N#C[C@H](CCc1ccccc1)C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000450257456 438689861 /nfs/dbraw/zinc/68/98/61/438689861.db2.gz VSSORPUCTSFWIG-SFHVURJKSA-N 1 2 345.443 0.912 20 30 ECEDLO C[C@H](C#N)CNC(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000495219755 438724757 /nfs/dbraw/zinc/72/47/57/438724757.db2.gz HLJOCSDZBMBWBH-CYBMUJFWSA-N 1 2 339.440 0.998 20 30 ECEDLO COc1cccc(COC[C@@H](O)C[NH+]2CCN(C(=O)CC#N)CC2)c1 ZINC000577072956 438812252 /nfs/dbraw/zinc/81/22/52/438812252.db2.gz GAWCDLCGZWFPAM-INIZCTEOSA-N 1 2 347.415 0.631 20 30 ECEDLO Cc1nn(C)c(N2CC[NH+](CCN3CCO[C@H](C)C3)CC2)c1C#N ZINC000558617150 438815347 /nfs/dbraw/zinc/81/53/47/438815347.db2.gz DVXPGKMTCITPQF-CQSZACIVSA-N 1 2 332.452 0.443 20 30 ECEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000601341324 438852009 /nfs/dbraw/zinc/85/20/09/438852009.db2.gz BISRVQMDKCXYEE-CQSZACIVSA-N 1 2 340.424 0.530 20 30 ECEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000601341324 438852013 /nfs/dbraw/zinc/85/20/13/438852013.db2.gz BISRVQMDKCXYEE-CQSZACIVSA-N 1 2 340.424 0.530 20 30 ECEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000601395603 438873632 /nfs/dbraw/zinc/87/36/32/438873632.db2.gz MOQDGKBUTLGKIM-LBPRGKRZSA-N 1 2 341.408 0.693 20 30 ECEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000601395603 438873636 /nfs/dbraw/zinc/87/36/36/438873636.db2.gz MOQDGKBUTLGKIM-LBPRGKRZSA-N 1 2 341.408 0.693 20 30 ECEDLO Cc1nn(C)c(N2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)c1C#N ZINC000577862931 438878455 /nfs/dbraw/zinc/87/84/55/438878455.db2.gz NGPQKXKYFJWJJY-GFCCVEGCSA-N 1 2 341.419 0.851 20 30 ECEDLO Cc1nn(C)c(N2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)c1C#N ZINC000577862931 438878461 /nfs/dbraw/zinc/87/84/61/438878461.db2.gz NGPQKXKYFJWJJY-GFCCVEGCSA-N 1 2 341.419 0.851 20 30 ECEDLO CCOc1ccc(N2CC[NH+](CC(=O)N(CC)CCC#N)CC2)nn1 ZINC000595891684 438879174 /nfs/dbraw/zinc/87/91/74/438879174.db2.gz LVISLTLBZGTNAP-UHFFFAOYSA-N 1 2 346.435 0.759 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CCc3c([nH+]c(C)n3CCO)C2)nn1 ZINC000516931922 438936835 /nfs/dbraw/zinc/93/68/35/438936835.db2.gz UTMMKGQOUVSBSA-ZDUSSCGKSA-N 1 2 344.419 0.639 20 30 ECEDLO N#CCCN1CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000601590184 438939280 /nfs/dbraw/zinc/93/92/80/438939280.db2.gz RTWHHEBRQNYXIS-OAHLLOKOSA-N 1 2 328.420 0.901 20 30 ECEDLO N#CCC(=O)N1CC[NH+](C[C@H](O)COCc2ccccc2F)CC1 ZINC000578904219 438965490 /nfs/dbraw/zinc/96/54/90/438965490.db2.gz IRFCGAVXSXXUDX-HNNXBMFYSA-N 1 2 335.379 0.761 20 30 ECEDLO Cc1sc2ncc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c(=O)n2c1C ZINC000579013483 438973782 /nfs/dbraw/zinc/97/37/82/438973782.db2.gz COGIAIPUBOIAIO-OAHLLOKOSA-N 1 2 333.417 0.947 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000565895675 438986711 /nfs/dbraw/zinc/98/67/11/438986711.db2.gz USKCZZNFSIGZAT-OAHLLOKOSA-N 1 2 343.347 0.749 20 30 ECEDLO N#CCC1(CNC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)CC1 ZINC000579190073 438987400 /nfs/dbraw/zinc/98/74/00/438987400.db2.gz LOIIHTARIGNAOB-UHFFFAOYSA-N 1 2 333.436 0.630 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cc(F)cc(C#N)c2)[C@@H](C)CO1 ZINC000602049997 439002562 /nfs/dbraw/zinc/00/25/62/439002562.db2.gz GKFIUPKQGSKNTG-NWDGAFQWSA-N 1 2 348.378 0.861 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cc(F)cc(C#N)c2)[C@@H](C)CO1 ZINC000602049997 439002566 /nfs/dbraw/zinc/00/25/66/439002566.db2.gz GKFIUPKQGSKNTG-NWDGAFQWSA-N 1 2 348.378 0.861 20 30 ECEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CCN(CC#N)CC2)cc1 ZINC000602104800 439012768 /nfs/dbraw/zinc/01/27/68/439012768.db2.gz UNQPDQMRBQBGPJ-QGZVFWFLSA-N 1 2 328.416 0.937 20 30 ECEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CCN(CC#N)CC2)cc1 ZINC000602104800 439012771 /nfs/dbraw/zinc/01/27/71/439012771.db2.gz UNQPDQMRBQBGPJ-QGZVFWFLSA-N 1 2 328.416 0.937 20 30 ECEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCCn2cnc(C#N)n2)cc1 ZINC000602153425 439026515 /nfs/dbraw/zinc/02/65/15/439026515.db2.gz QNUYUQFSJPUBAY-HNNXBMFYSA-N 1 2 340.387 0.549 20 30 ECEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCCn2cnc(C#N)n2)cc1 ZINC000602153425 439026517 /nfs/dbraw/zinc/02/65/17/439026517.db2.gz QNUYUQFSJPUBAY-HNNXBMFYSA-N 1 2 340.387 0.549 20 30 ECEDLO N#CCCN1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000602208617 439038750 /nfs/dbraw/zinc/03/87/50/439038750.db2.gz SGBYTNVJWPSEQY-UHFFFAOYSA-N 1 2 342.447 0.261 20 30 ECEDLO CN(C)C(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592149201 439168265 /nfs/dbraw/zinc/16/82/65/439168265.db2.gz KNWIIEDCBCIOIZ-QGZVFWFLSA-N 1 2 330.388 0.677 20 30 ECEDLO CN(C)C(=O)c1cccc(NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592149201 439168269 /nfs/dbraw/zinc/16/82/69/439168269.db2.gz KNWIIEDCBCIOIZ-QGZVFWFLSA-N 1 2 330.388 0.677 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCS(=O)(=O)N1CCCC1 ZINC000567239647 439125729 /nfs/dbraw/zinc/12/57/29/439125729.db2.gz XKNAAFRAJKOSKU-AWEZNQCLSA-N 1 2 330.454 0.152 20 30 ECEDLO C[C@H]1C[NH+](CC(=O)NCc2ccc3c(c2)OCO3)C[C@H](C)N1CC#N ZINC000602864818 439147590 /nfs/dbraw/zinc/14/75/90/439147590.db2.gz QTMGMHAHZRNOAJ-KBPBESRZSA-N 1 2 344.415 0.950 20 30 ECEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 ZINC000592147536 439163555 /nfs/dbraw/zinc/16/35/55/439163555.db2.gz PWHTXJMEVLQITE-OAHLLOKOSA-N 1 2 339.417 0.915 20 30 ECEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 ZINC000592147536 439163559 /nfs/dbraw/zinc/16/35/59/439163559.db2.gz PWHTXJMEVLQITE-OAHLLOKOSA-N 1 2 339.417 0.915 20 30 ECEDLO Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)n1C ZINC000602939154 439165022 /nfs/dbraw/zinc/16/50/22/439165022.db2.gz ALICEOYLOMLJRN-DYVFJYSZSA-N 1 2 347.467 0.689 20 30 ECEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000592131201 439165099 /nfs/dbraw/zinc/16/50/99/439165099.db2.gz USTODQLURYERIL-ZDUSSCGKSA-N 1 2 325.363 0.668 20 30 ECEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000592131201 439165102 /nfs/dbraw/zinc/16/51/02/439165102.db2.gz USTODQLURYERIL-ZDUSSCGKSA-N 1 2 325.363 0.668 20 30 ECEDLO N#CCC(=O)N1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000568175956 439220445 /nfs/dbraw/zinc/22/04/45/439220445.db2.gz MROFANQCLCQPCT-AWEZNQCLSA-N 1 2 348.359 0.392 20 30 ECEDLO COCC[N@H+](C)Cc1cn(C[C@H](O)COc2ccccc2C#N)nn1 ZINC000603264877 439221904 /nfs/dbraw/zinc/22/19/04/439221904.db2.gz NDBGMYULDHBGAY-INIZCTEOSA-N 1 2 345.403 0.668 20 30 ECEDLO COCC[N@@H+](C)Cc1cn(C[C@H](O)COc2ccccc2C#N)nn1 ZINC000603264877 439221909 /nfs/dbraw/zinc/22/19/09/439221909.db2.gz NDBGMYULDHBGAY-INIZCTEOSA-N 1 2 345.403 0.668 20 30 ECEDLO N#Cc1cccc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)n1 ZINC000592268311 439190743 /nfs/dbraw/zinc/19/07/43/439190743.db2.gz QWYJPHPCBYCRFP-UHFFFAOYSA-N 1 2 341.375 1.126 20 30 ECEDLO Cn1cc(C[NH+]2CCN(Cc3cnc4c(C#N)cnn4c3)CC2)cn1 ZINC000592499269 439241795 /nfs/dbraw/zinc/24/17/95/439241795.db2.gz WTIPFAACDXJFND-UHFFFAOYSA-N 1 2 336.403 0.652 20 30 ECEDLO CN1CC[C@H](Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)C1=O ZINC000603335142 439242432 /nfs/dbraw/zinc/24/24/32/439242432.db2.gz JRSXXWVYABBMRX-CQSZACIVSA-N 1 2 330.388 0.030 20 30 ECEDLO COCC[N@H+](Cc1ccnn1C)Cc1cnc2c(C#N)cnn2c1 ZINC000592513719 439243124 /nfs/dbraw/zinc/24/31/24/439243124.db2.gz FRKASSDLQPOGLX-UHFFFAOYSA-N 1 2 325.376 0.983 20 30 ECEDLO COCC[N@@H+](Cc1ccnn1C)Cc1cnc2c(C#N)cnn2c1 ZINC000592513719 439243127 /nfs/dbraw/zinc/24/31/27/439243127.db2.gz FRKASSDLQPOGLX-UHFFFAOYSA-N 1 2 325.376 0.983 20 30 ECEDLO Cc1onc(CC(=O)N(CC[NH+]2CCOCC2)CC2CC2)c1C#N ZINC000598343797 439254345 /nfs/dbraw/zinc/25/43/45/439254345.db2.gz YFLSHGQZPZNWIE-UHFFFAOYSA-N 1 2 332.404 0.968 20 30 ECEDLO Cc1nnc(NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c(C#N)c1C ZINC000528135774 439317349 /nfs/dbraw/zinc/31/73/49/439317349.db2.gz ZNIYQZIUHGTLAH-KRWDZBQOSA-N 1 2 331.420 0.993 20 30 ECEDLO Cc1nnc(NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c(C#N)c1C ZINC000528135774 439317352 /nfs/dbraw/zinc/31/73/52/439317352.db2.gz ZNIYQZIUHGTLAH-KRWDZBQOSA-N 1 2 331.420 0.993 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\c2ccc(O)cc2)CC1 ZINC000490950398 439318266 /nfs/dbraw/zinc/31/82/66/439318266.db2.gz QGWYBWVLRGSYOC-TWGQIWQCSA-N 1 2 341.411 0.689 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\c2ccc(O)cc2)CC1 ZINC000490950398 439318270 /nfs/dbraw/zinc/31/82/70/439318270.db2.gz QGWYBWVLRGSYOC-TWGQIWQCSA-N 1 2 341.411 0.689 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C)CC1 ZINC000491101961 439332428 /nfs/dbraw/zinc/33/24/28/439332428.db2.gz LETMAUNQJUHRNI-UHFFFAOYSA-N 1 2 325.372 0.966 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2C)CC1 ZINC000491144604 439337870 /nfs/dbraw/zinc/33/78/70/439337870.db2.gz HYPQGYSQHRGJTD-UHFFFAOYSA-N 1 2 349.398 0.886 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/C2CCOCC2)CC1 ZINC000490670152 439285200 /nfs/dbraw/zinc/28/52/00/439285200.db2.gz LHLPNKIDXORXAO-SNAWJCMRSA-N 1 2 333.432 0.253 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/C2CCOCC2)CC1 ZINC000490670152 439285203 /nfs/dbraw/zinc/28/52/03/439285203.db2.gz LHLPNKIDXORXAO-SNAWJCMRSA-N 1 2 333.432 0.253 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(-c3nnnn3C)c2)CC1 ZINC000490778281 439297658 /nfs/dbraw/zinc/29/76/58/439297658.db2.gz CNJFHCYUZWYRBL-UHFFFAOYSA-N 1 2 339.403 0.066 20 30 ECEDLO C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)N1C(=O)c2ccccc2C1=O ZINC000582184478 439301360 /nfs/dbraw/zinc/30/13/60/439301360.db2.gz BZAMEDRSFYSHMU-DIFFPNOSSA-N 1 2 328.372 0.631 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(COCC)n2C[C@H]2CCCO2)CC1 ZINC000491154391 439338534 /nfs/dbraw/zinc/33/85/34/439338534.db2.gz JHVZDBHALIETHW-OAHLLOKOSA-N 1 2 333.436 0.749 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@@H](C)C(=O)Nc3ccccc32)CC1 ZINC000491315465 439366387 /nfs/dbraw/zinc/36/63/87/439366387.db2.gz NKLOLTWTENOHRV-OAHLLOKOSA-N 1 2 340.427 0.859 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000491164996 439343423 /nfs/dbraw/zinc/34/34/23/439343423.db2.gz HKSKEECTPYXTEX-IYBDPMFKSA-N 1 2 334.464 0.143 20 30 ECEDLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C#N)s1 ZINC000582498116 439343695 /nfs/dbraw/zinc/34/36/95/439343695.db2.gz FSAQKJBNKSWKHB-NSHDSACASA-N 1 2 337.430 0.688 20 30 ECEDLO C#CC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000491219920 439352057 /nfs/dbraw/zinc/35/20/57/439352057.db2.gz IMMVYFWKBIDHTC-HOTGVXAUSA-N 1 2 348.424 0.420 20 30 ECEDLO C#CC[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000491219920 439352063 /nfs/dbraw/zinc/35/20/63/439352063.db2.gz IMMVYFWKBIDHTC-HOTGVXAUSA-N 1 2 348.424 0.420 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)N[C@](C)(C(C)(C)C)C2=O)CC1 ZINC000491253242 439356802 /nfs/dbraw/zinc/35/68/02/439356802.db2.gz MJVNSWMXVBKVLL-KRWDZBQOSA-N 1 2 334.420 0.120 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(C)Cc2cc(C(C)(C)C)n[nH]2)CC1 ZINC000491514498 439395576 /nfs/dbraw/zinc/39/55/76/439395576.db2.gz IGPYDXMGCUUFOS-UHFFFAOYSA-N 1 2 331.464 0.916 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)CC1 ZINC000491525726 439400668 /nfs/dbraw/zinc/40/06/68/439400668.db2.gz UVJWACILBIILKZ-HOTGVXAUSA-N 1 2 338.473 0.900 20 30 ECEDLO C#CCN1C(=O)C[C@H]([NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)C1=O ZINC000491463853 439389275 /nfs/dbraw/zinc/38/92/75/439389275.db2.gz PHCHFOBGEAZWRH-SMDDNHRTSA-N 1 2 332.322 0.772 20 30 ECEDLO C#CC[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1CC1 ZINC000491617958 439413284 /nfs/dbraw/zinc/41/32/84/439413284.db2.gz AFXNPXRMDIWNOW-UHFFFAOYSA-N 1 2 329.466 0.260 20 30 ECEDLO C#CC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1CC1 ZINC000491617958 439413288 /nfs/dbraw/zinc/41/32/88/439413288.db2.gz AFXNPXRMDIWNOW-UHFFFAOYSA-N 1 2 329.466 0.260 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000491807759 439455518 /nfs/dbraw/zinc/45/55/18/439455518.db2.gz USHMRAJQGXNEDF-UHFFFAOYSA-N 1 2 327.344 0.338 20 30 ECEDLO C#CCN1CCN(C(=O)CO[NH+]=C(N)Cc2cccc(F)c2)CC1 ZINC000491678681 439426466 /nfs/dbraw/zinc/42/64/66/439426466.db2.gz BYERHITWBWTXTK-UHFFFAOYSA-N 1 2 332.379 0.644 20 30 ECEDLO COC(=O)[C@H](COC(C)C)[N@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599322025 439431936 /nfs/dbraw/zinc/43/19/36/439431936.db2.gz WYJHYGUXFCRWQL-GJZGRUSLSA-N 1 2 342.436 0.956 20 30 ECEDLO COC(=O)[C@H](COC(C)C)[N@@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599322025 439431942 /nfs/dbraw/zinc/43/19/42/439431942.db2.gz WYJHYGUXFCRWQL-GJZGRUSLSA-N 1 2 342.436 0.956 20 30 ECEDLO C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000491713444 439433443 /nfs/dbraw/zinc/43/34/43/439433443.db2.gz COHMJCPYBQEGNV-GFCCVEGCSA-N 1 2 330.388 0.645 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccn2CC=C)CC1 ZINC000491726735 439434943 /nfs/dbraw/zinc/43/49/43/439434943.db2.gz AOENZYXLANHJNP-UHFFFAOYSA-N 1 2 328.416 0.571 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccn2CC=C)CC1 ZINC000491726735 439434947 /nfs/dbraw/zinc/43/49/47/439434947.db2.gz AOENZYXLANHJNP-UHFFFAOYSA-N 1 2 328.416 0.571 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCO[C@H]2CC)CC1 ZINC000491755098 439444828 /nfs/dbraw/zinc/44/48/28/439444828.db2.gz XVPVMTMCDXRXDR-HOTGVXAUSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCO[C@H]2CC)CC1 ZINC000491755098 439444831 /nfs/dbraw/zinc/44/48/31/439444831.db2.gz XVPVMTMCDXRXDR-HOTGVXAUSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000491806138 439456138 /nfs/dbraw/zinc/45/61/38/439456138.db2.gz QJMHLSVWWVILDQ-MRXNPFEDSA-N 1 2 335.835 0.740 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000491806138 439456143 /nfs/dbraw/zinc/45/61/43/439456143.db2.gz QJMHLSVWWVILDQ-MRXNPFEDSA-N 1 2 335.835 0.740 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000491806134 439455169 /nfs/dbraw/zinc/45/51/69/439455169.db2.gz QJMHLSVWWVILDQ-INIZCTEOSA-N 1 2 335.835 0.740 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000491806134 439455174 /nfs/dbraw/zinc/45/51/74/439455174.db2.gz QJMHLSVWWVILDQ-INIZCTEOSA-N 1 2 335.835 0.740 20 30 ECEDLO CN(C(=O)C[NH+]1CCN(c2nncn2C)CC1)C1(C#N)CCCCC1 ZINC000594021917 439510638 /nfs/dbraw/zinc/51/06/38/439510638.db2.gz BMURLCGYJLCKST-UHFFFAOYSA-N 1 2 345.451 0.622 20 30 ECEDLO COCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C[C@@H](O)C(F)(F)F ZINC000594018511 439507810 /nfs/dbraw/zinc/50/78/10/439507810.db2.gz YFFXVOGSZMRQTN-YPMHNXCESA-N 1 2 339.358 0.912 20 30 ECEDLO COCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C[C@@H](O)C(F)(F)F ZINC000594018511 439507815 /nfs/dbraw/zinc/50/78/15/439507815.db2.gz YFFXVOGSZMRQTN-YPMHNXCESA-N 1 2 339.358 0.912 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000533061123 439522208 /nfs/dbraw/zinc/52/22/08/439522208.db2.gz HQZMFGHJSUMPQS-GUTXKFCHSA-N 1 2 344.481 0.443 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000533061123 439522214 /nfs/dbraw/zinc/52/22/14/439522214.db2.gz HQZMFGHJSUMPQS-GUTXKFCHSA-N 1 2 344.481 0.443 20 30 ECEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000599641728 439524078 /nfs/dbraw/zinc/52/40/78/439524078.db2.gz OYBKVPMBQGYVBK-AWEZNQCLSA-N 1 2 328.376 0.975 20 30 ECEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000599641728 439524082 /nfs/dbraw/zinc/52/40/82/439524082.db2.gz OYBKVPMBQGYVBK-AWEZNQCLSA-N 1 2 328.376 0.975 20 30 ECEDLO C[C@@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)NC(N)=O ZINC000594210640 439525852 /nfs/dbraw/zinc/52/58/52/439525852.db2.gz BCGJVVZTUJFJCP-ZDUSSCGKSA-N 1 2 329.404 0.649 20 30 ECEDLO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676554 439536055 /nfs/dbraw/zinc/53/60/55/439536055.db2.gz USAFMQVSBFZPOL-CYBMUJFWSA-N 1 2 344.415 0.971 20 30 ECEDLO COC[C@@H](C)NC(=O)NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676554 439536057 /nfs/dbraw/zinc/53/60/57/439536057.db2.gz USAFMQVSBFZPOL-CYBMUJFWSA-N 1 2 344.415 0.971 20 30 ECEDLO C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[NH+]1CCC(CC#N)CC1 ZINC000543806355 439565408 /nfs/dbraw/zinc/56/54/08/439565408.db2.gz CWNUIBVBHZCNHT-JSGCOSHPSA-N 1 2 327.450 0.646 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N2CCO[C@H]3CCCC[C@@H]32)C1=O ZINC000531957518 439512955 /nfs/dbraw/zinc/51/29/55/439512955.db2.gz RTOQFAQNADLDID-JYJNAYRXSA-N 1 2 335.448 0.875 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2CCO[C@H]3CCCC[C@@H]32)C1=O ZINC000531957518 439512960 /nfs/dbraw/zinc/51/29/60/439512960.db2.gz RTOQFAQNADLDID-JYJNAYRXSA-N 1 2 335.448 0.875 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471492 439566663 /nfs/dbraw/zinc/56/66/63/439566663.db2.gz FQSSKSNXQCVFLP-BARDWOONSA-N 1 2 346.497 0.800 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471492 439566667 /nfs/dbraw/zinc/56/66/67/439566667.db2.gz FQSSKSNXQCVFLP-BARDWOONSA-N 1 2 346.497 0.800 20 30 ECEDLO N#CCNC(=O)CN1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000609564270 439575663 /nfs/dbraw/zinc/57/56/63/439575663.db2.gz DQSMRPPXCBVPAG-HNNXBMFYSA-N 1 2 336.823 0.631 20 30 ECEDLO Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)c1C#N ZINC000610376537 439612468 /nfs/dbraw/zinc/61/24/68/439612468.db2.gz PGKSZJRIGKXSHI-ZDUSSCGKSA-N 1 2 330.388 0.642 20 30 ECEDLO Cc1cccc(NC(=O)C(=O)NCC[N@H+]2CCO[C@@H](C)C2)c1C#N ZINC000610376537 439612471 /nfs/dbraw/zinc/61/24/71/439612471.db2.gz PGKSZJRIGKXSHI-ZDUSSCGKSA-N 1 2 330.388 0.642 20 30 ECEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604652 439630626 /nfs/dbraw/zinc/63/06/26/439630626.db2.gz ZGAXHIFBLQELEP-KFWWJZLASA-N 1 2 347.415 0.758 20 30 ECEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604652 439630629 /nfs/dbraw/zinc/63/06/29/439630629.db2.gz ZGAXHIFBLQELEP-KFWWJZLASA-N 1 2 347.415 0.758 20 30 ECEDLO Cc1cc(NC(=O)C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)ncc1C#N ZINC000595124409 439657220 /nfs/dbraw/zinc/65/72/20/439657220.db2.gz CIODINMEJWFEOQ-CHWSQXEVSA-N 1 2 345.403 0.426 20 30 ECEDLO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)ncc1C#N ZINC000595124409 439657222 /nfs/dbraw/zinc/65/72/22/439657222.db2.gz CIODINMEJWFEOQ-CHWSQXEVSA-N 1 2 345.403 0.426 20 30 ECEDLO C=CCSCCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000586812317 439662093 /nfs/dbraw/zinc/66/20/93/439662093.db2.gz JWYKBWDJFVTSLE-CQSZACIVSA-N 1 2 341.477 0.345 20 30 ECEDLO CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611176311 439678007 /nfs/dbraw/zinc/67/80/07/439678007.db2.gz ZIGMDIKNQYJOJH-HNNXBMFYSA-N 1 2 336.436 0.462 20 30 ECEDLO CS(=O)(=O)CC1(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000611243388 439685679 /nfs/dbraw/zinc/68/56/79/439685679.db2.gz TUFYAZIBFIKYJD-UHFFFAOYSA-N 1 2 334.445 0.900 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000600682412 439689076 /nfs/dbraw/zinc/68/90/76/439689076.db2.gz MTOVDNBHHYVMMF-INIZCTEOSA-N 1 2 339.399 0.923 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000600682412 439689080 /nfs/dbraw/zinc/68/90/80/439689080.db2.gz MTOVDNBHHYVMMF-INIZCTEOSA-N 1 2 339.399 0.923 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)cn1 ZINC000600686615 439689498 /nfs/dbraw/zinc/68/94/98/439689498.db2.gz ZNWJLONANFONPY-KRWDZBQOSA-N 1 2 337.383 0.979 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)cn1 ZINC000600686615 439689502 /nfs/dbraw/zinc/68/95/02/439689502.db2.gz ZNWJLONANFONPY-KRWDZBQOSA-N 1 2 337.383 0.979 20 30 ECEDLO C[C@H](C#N)CN(C)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000611369997 439693376 /nfs/dbraw/zinc/69/33/76/439693376.db2.gz JOMWZQYRSHMYPW-CYBMUJFWSA-N 1 2 337.449 0.614 20 30 ECEDLO N#C[C@H]1CCC[C@H]1NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000613163117 439751530 /nfs/dbraw/zinc/75/15/30/439751530.db2.gz HODCNYRDQSLHJY-HUUCEWRRSA-N 1 2 333.436 0.628 20 30 ECEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000613743101 439762370 /nfs/dbraw/zinc/76/23/70/439762370.db2.gz DCVFIMVTNPHHBY-GARJFASQSA-N 1 2 335.429 0.863 20 30 ECEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@H](O)C[C@H]1CO ZINC000613743101 439762371 /nfs/dbraw/zinc/76/23/71/439762371.db2.gz DCVFIMVTNPHHBY-GARJFASQSA-N 1 2 335.429 0.863 20 30 ECEDLO N#C[C@]1(F)CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000615538566 439802186 /nfs/dbraw/zinc/80/21/86/439802186.db2.gz PRKUOLHATQGREJ-HUUCEWRRSA-N 1 2 342.440 0.841 20 30 ECEDLO Cc1nnc(CN2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)[nH]1 ZINC000615793517 439806843 /nfs/dbraw/zinc/80/68/43/439806843.db2.gz NEKKZUAUCZBYHE-LBPRGKRZSA-N 1 2 331.424 0.182 20 30 ECEDLO C=CCCCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000636832715 440058039 /nfs/dbraw/zinc/05/80/39/440058039.db2.gz DCTIPMAEGFEFAP-MRXNPFEDSA-N 1 2 346.431 0.481 20 30 ECEDLO C=CCCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000636832715 440058046 /nfs/dbraw/zinc/05/80/46/440058046.db2.gz DCTIPMAEGFEFAP-MRXNPFEDSA-N 1 2 346.431 0.481 20 30 ECEDLO C=CCCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000663880209 440189886 /nfs/dbraw/zinc/18/98/86/440189886.db2.gz ZAYDTMGGUKGFBO-UHFFFAOYSA-N 1 2 331.420 0.996 20 30 ECEDLO NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000665045025 440410639 /nfs/dbraw/zinc/41/06/39/440410639.db2.gz BAAIFCPNDWFMOU-YPMHNXCESA-N 1 2 328.290 0.857 20 30 ECEDLO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000665045025 440410644 /nfs/dbraw/zinc/41/06/44/440410644.db2.gz BAAIFCPNDWFMOU-YPMHNXCESA-N 1 2 328.290 0.857 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(c3cc(C)nn3C)C2=O)nn1 ZINC000641099557 441054978 /nfs/dbraw/zinc/05/49/78/441054978.db2.gz JQORPIOBEWXOCC-AWEZNQCLSA-N 1 2 327.392 0.411 20 30 ECEDLO C=CC[C@@]1(C(=O)Nc2nnc(NS(C)(=O)=O)s2)CCC[NH2+]1 ZINC000662513228 441060877 /nfs/dbraw/zinc/06/08/77/441060877.db2.gz RBMLXGMICIGMIP-NSHDSACASA-N 1 2 331.423 0.546 20 30 ECEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCCn1cnc(C#N)n1)CCC2 ZINC000557922024 322212290 /nfs/dbraw/zinc/21/22/90/322212290.db2.gz VZOOBBRUKBADJL-GFCCVEGCSA-N 1 2 328.380 0.532 20 30 ECEDLO Cc1nc(CN2CC[NH+](Cc3cnc4c(C#N)cnn4c3)CC2)no1 ZINC000563153975 322301989 /nfs/dbraw/zinc/30/19/89/322301989.db2.gz DDHUBVQNFQJHAK-UHFFFAOYSA-N 1 2 338.375 0.610 20 30 ECEDLO C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000576293941 322804986 /nfs/dbraw/zinc/80/49/86/322804986.db2.gz VGIDZQJYFKKZLA-GDBMZVCRSA-N 1 2 343.431 0.759 20 30 ECEDLO N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000186290959 518196465 /nfs/dbraw/zinc/19/64/65/518196465.db2.gz FBSCHLXLARNLEP-UHFFFAOYSA-N 1 2 336.779 0.287 20 30 ECEDLO CC(C)NC(=O)CN1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000155485479 529129962 /nfs/dbraw/zinc/12/99/62/529129962.db2.gz DLCPWGBJDFNENB-KRWDZBQOSA-N 1 2 330.432 0.734 20 30 ECEDLO CC(C)[C@H](C(=O)NC[C@@H](C)[NH+]1CCOCC1)N1CCCS1(=O)=O ZINC000329162407 546015141 /nfs/dbraw/zinc/01/51/41/546015141.db2.gz FTGXTHFKWBABJP-ZIAGYGMSSA-N 1 2 347.481 0.724 20 30 ECEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N[C@H]1CCCNC1=O ZINC000330030647 546036867 /nfs/dbraw/zinc/03/68/67/546036867.db2.gz RYTGWDDYIKYOPK-ZDUSSCGKSA-N 1 2 336.396 0.469 20 30 ECEDLO C=C[C@@H](O)C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000667137338 547477088 /nfs/dbraw/zinc/47/70/88/547477088.db2.gz ZOEZGDDYVGVFDC-CQSZACIVSA-N 1 2 339.417 0.108 20 30 ECEDLO C=C[C@@](C)(O)C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000668248201 547609033 /nfs/dbraw/zinc/60/90/33/547609033.db2.gz FINYYPQNDGXPJC-QGZVFWFLSA-N 1 2 332.404 0.337 20 30 ECEDLO C=CCn1c(-c2cc[nH]n2)nnc1N1CC[NH+](CC(=O)NCC)CC1 ZINC000669029608 547816349 /nfs/dbraw/zinc/81/63/49/547816349.db2.gz IPYMNNYXMCDPJN-UHFFFAOYSA-N 1 2 344.423 0.112 20 30 ECEDLO COCC#CC[NH+]1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000677817123 548958104 /nfs/dbraw/zinc/95/81/04/548958104.db2.gz HQGDNCLJVNTNLJ-UHFFFAOYSA-N 1 2 333.407 0.823 20 30 ECEDLO COCC#CCN1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000677817123 548958108 /nfs/dbraw/zinc/95/81/08/548958108.db2.gz HQGDNCLJVNTNLJ-UHFFFAOYSA-N 1 2 333.407 0.823 20 30 ECEDLO C=CCOCCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000679586506 549104596 /nfs/dbraw/zinc/10/45/96/549104596.db2.gz QBKDVVLXQVPBPM-UHFFFAOYSA-N 1 2 346.431 0.829 20 30 ECEDLO CCCN(CCC)S(=O)(=O)N1CC[NH+](CC#CCOC)CC1 ZINC000683099445 549459297 /nfs/dbraw/zinc/45/92/97/549459297.db2.gz CWPSFNHJSWUCPQ-UHFFFAOYSA-N 1 2 331.482 0.621 20 30 ECEDLO C=CCNC(=O)NC(=O)COC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000748468405 579325099 /nfs/dbraw/zinc/32/50/99/579325099.db2.gz GTJQPVGYDMKCGR-AWEZNQCLSA-N 1 2 341.408 0.335 20 30 ECEDLO COC(=O)C1CCC(=NNC(=S)NCC[NH+]2CCOCC2)CC1 ZINC000754909813 579425735 /nfs/dbraw/zinc/42/57/35/579425735.db2.gz BTRBSGWTHPKLSK-UHFFFAOYSA-N 1 2 342.465 0.502 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)nc1 ZINC000755595188 579435881 /nfs/dbraw/zinc/43/58/81/579435881.db2.gz LNAVDOAFMXNSDX-OAHLLOKOSA-N 1 2 340.427 0.832 20 30 ECEDLO CC1(C)COCC[N@@H+]1CCNC(=O)NCCNc1ncccc1C#N ZINC000728397447 578289151 /nfs/dbraw/zinc/28/91/51/578289151.db2.gz PRUBMOFVWZOJFM-UHFFFAOYSA-N 1 2 346.435 0.775 20 30 ECEDLO CC1(C)COCC[N@H+]1CCNC(=O)NCCNc1ncccc1C#N ZINC000728397447 578289152 /nfs/dbraw/zinc/28/91/52/578289152.db2.gz PRUBMOFVWZOJFM-UHFFFAOYSA-N 1 2 346.435 0.775 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](C[C@H]2COc3ccccc3O2)CC1 ZINC000728685995 578290520 /nfs/dbraw/zinc/29/05/20/578290520.db2.gz KPGPGOBOFZAQJR-HNNXBMFYSA-N 1 2 329.400 0.193 20 30 ECEDLO CNC(=O)CNC(=S)N[NH+]=C(C)c1cccc(N2CCOCC2)c1 ZINC000731927084 578317627 /nfs/dbraw/zinc/31/76/27/578317627.db2.gz MHGPYIDBPMXJOA-UHFFFAOYSA-N 1 2 349.460 0.457 20 30 ECEDLO C=CCC[NH+]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735413420 578383807 /nfs/dbraw/zinc/38/38/07/578383807.db2.gz USQFOQDZUMJPMQ-UHFFFAOYSA-N 1 2 348.432 0.749 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(F)c(N2C(=O)CNC2=O)c1 ZINC000794294527 578582549 /nfs/dbraw/zinc/58/25/49/578582549.db2.gz ABJCFXJYZMCLLR-ZDUSSCGKSA-N 1 2 344.346 0.918 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(F)c(N2C(=O)CNC2=O)c1 ZINC000794294527 578582550 /nfs/dbraw/zinc/58/25/50/578582550.db2.gz ABJCFXJYZMCLLR-ZDUSSCGKSA-N 1 2 344.346 0.918 20 30 ECEDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3nc4ccccc4c(=O)n3CC#N)C[C@@H]21 ZINC000794987492 578602504 /nfs/dbraw/zinc/60/25/04/578602504.db2.gz VTMCKERUYGIYIS-VIKVFOODSA-N 1 2 338.367 0.771 20 30 ECEDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3nc4ccccc4c(=O)n3CC#N)C[C@@H]21 ZINC000794987492 578602505 /nfs/dbraw/zinc/60/25/05/578602505.db2.gz VTMCKERUYGIYIS-VIKVFOODSA-N 1 2 338.367 0.771 20 30 ECEDLO Cc1ccn(C[NH+]2CCC(CNS(C)(=O)=O)CC2)c(=O)c1C#N ZINC000795670434 578618594 /nfs/dbraw/zinc/61/85/94/578618594.db2.gz JVKWPGXLSYTHDL-UHFFFAOYSA-N 1 2 338.433 0.247 20 30 ECEDLO N#Cc1cnn2c1[nH]c(COC(=O)CCc1ccc(N)[nH+]c1)cc2=O ZINC000784362778 578750948 /nfs/dbraw/zinc/75/09/48/578750948.db2.gz CLJVQMAPHVDCBI-UHFFFAOYSA-N 1 2 338.327 0.960 20 30 ECEDLO C=CCSCCNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000786000437 578778238 /nfs/dbraw/zinc/77/82/38/578778238.db2.gz ALNVOBWYLWFRCE-UHFFFAOYSA-N 1 2 345.428 0.919 20 30 ECEDLO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCn1cc[nH+]c1 ZINC000772000790 579198759 /nfs/dbraw/zinc/19/87/59/579198759.db2.gz IDYHVJGYZUNUSG-LBPRGKRZSA-N 1 2 348.384 0.665 20 30 ECEDLO C#CCOc1ccccc1NC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000776098681 579274854 /nfs/dbraw/zinc/27/48/54/579274854.db2.gz JIPYWEPLCPBXMD-UHFFFAOYSA-N 1 2 347.415 0.857 20 30 ECEDLO C#C[C@@H](NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1)[C@@H]1CCCO1 ZINC000776232453 579278389 /nfs/dbraw/zinc/27/83/89/579278389.db2.gz RTBFZUZTXZCCRC-CVEARBPZSA-N 1 2 331.420 0.428 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](CCO[C@H]2CCCC[C@H]2C)CC1 ZINC000761024817 579519654 /nfs/dbraw/zinc/51/96/54/579519654.db2.gz PZJHYLSGEMKYQY-CVEARBPZSA-N 1 2 343.493 0.667 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2nc(OC)cc2Br)CC1 ZINC000762471707 579542411 /nfs/dbraw/zinc/54/24/11/579542411.db2.gz JPUSJKCZPSOFRW-UHFFFAOYSA-N 1 2 341.209 0.432 20 30 ECEDLO O=C(NCCNC(=O)C1N=CC=CC1=O)Nc1ccc2[nH+]ccn2c1 ZINC000738948943 579658078 /nfs/dbraw/zinc/65/80/78/579658078.db2.gz JRNXOIIKYKIENW-CCEZHUSRSA-N 1 2 340.343 0.982 20 30 ECEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000741143548 579766553 /nfs/dbraw/zinc/76/65/53/579766553.db2.gz JVCDUOAOFDVMTK-BSEYFRJRSA-N 1 2 349.456 0.848 20 30 ECEDLO C[S@](=O)CC[NH+]1CCN(C(=O)c2ccccc2OCC#N)CC1 ZINC000741288945 579770906 /nfs/dbraw/zinc/77/09/06/579770906.db2.gz JITZVXMGUIHDKF-QHCPKHFHSA-N 1 2 335.429 0.725 20 30 ECEDLO C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741382277 579773063 /nfs/dbraw/zinc/77/30/63/579773063.db2.gz NUXQXMKFYXLKPL-HOCLYGCPSA-N 1 2 330.384 0.569 20 30 ECEDLO C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741382277 579773065 /nfs/dbraw/zinc/77/30/65/579773065.db2.gz NUXQXMKFYXLKPL-HOCLYGCPSA-N 1 2 330.384 0.569 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1 ZINC000744422974 579809348 /nfs/dbraw/zinc/80/93/48/579809348.db2.gz NMJGBAMFYKHXOW-UHFFFAOYSA-N 1 2 325.368 0.731 20 30 ECEDLO C#Cc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000746790181 579844354 /nfs/dbraw/zinc/84/43/54/579844354.db2.gz SDRFYXRQSOLAEP-KRWDZBQOSA-N 1 2 341.411 0.930 20 30 ECEDLO O=C(CCN=C1NS(=O)(=O)c2ccccc21)NCc1c[nH+]c[nH]1 ZINC000748321684 579857699 /nfs/dbraw/zinc/85/76/99/579857699.db2.gz IJXFRUNGFTVYLD-UHFFFAOYSA-N 1 2 333.373 0.155 20 30 ECEDLO O=C(CCN=C1NS(=O)(=O)c2ccccc21)NCc1c[nH]c[nH+]1 ZINC000748321684 579857700 /nfs/dbraw/zinc/85/77/00/579857700.db2.gz IJXFRUNGFTVYLD-UHFFFAOYSA-N 1 2 333.373 0.155 20 30 ECEDLO C[C@@H]1C[NH+]=C(NN=C2C(=O)Nc3cc(O)c(Br)cc32)N1 ZINC000841634142 588996742 /nfs/dbraw/zinc/99/67/42/588996742.db2.gz OLSYEQMRNYRACO-RXMQYKEDSA-N 1 2 338.165 0.748 20 30 ECEDLO C#CC[C@H]1NC(=O)N(C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1=O ZINC000842236633 589023752 /nfs/dbraw/zinc/02/37/52/589023752.db2.gz UNTMOUJHLUOXGK-HZPDHXFCSA-N 1 2 327.384 0.831 20 30 ECEDLO C#CC[C@H]1NC(=O)N(C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1=O ZINC000842236633 589023754 /nfs/dbraw/zinc/02/37/54/589023754.db2.gz UNTMOUJHLUOXGK-HZPDHXFCSA-N 1 2 327.384 0.831 20 30 ECEDLO C#C[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000890647290 586056776 /nfs/dbraw/zinc/05/67/76/586056776.db2.gz CXIGTDOWOYKCPP-HZPDHXFCSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CCO3)C1 ZINC000891608205 586180944 /nfs/dbraw/zinc/18/09/44/586180944.db2.gz YBFIOPXUFSVTAJ-OAHLLOKOSA-N 1 2 327.384 0.774 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CCO3)C1 ZINC000891608205 586180947 /nfs/dbraw/zinc/18/09/47/586180947.db2.gz YBFIOPXUFSVTAJ-OAHLLOKOSA-N 1 2 327.384 0.774 20 30 ECEDLO C=CCNC(=O)CN1CCN(c2cc(N[C@@H](CC)CO)[nH+]cn2)CC1 ZINC000891617460 586182194 /nfs/dbraw/zinc/18/21/94/586182194.db2.gz WRDILWYPHIDOJV-AWEZNQCLSA-N 1 2 348.451 0.084 20 30 ECEDLO C#CC1(O)CN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)C1 ZINC000891831056 586199422 /nfs/dbraw/zinc/19/94/22/586199422.db2.gz MTKKMJRLPABTMA-KBPBESRZSA-N 1 2 344.415 0.585 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(OCC#C)cc2)CC1 ZINC000895915832 586212740 /nfs/dbraw/zinc/21/27/40/586212740.db2.gz LMSRISXHCZUJKT-UHFFFAOYSA-N 1 2 347.440 0.284 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000023254840 586304032 /nfs/dbraw/zinc/30/40/32/586304032.db2.gz CPCIWZVTPLNLKV-UHFFFAOYSA-N 1 2 331.416 0.571 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2cc(OC)ccc2OC)CC1 ZINC000023254840 586304035 /nfs/dbraw/zinc/30/40/35/586304035.db2.gz CPCIWZVTPLNLKV-UHFFFAOYSA-N 1 2 331.416 0.571 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cnc3onc(C)c3c2)CC1 ZINC000893915218 586366850 /nfs/dbraw/zinc/36/68/50/586366850.db2.gz RRSQDKIDKKVIMT-UHFFFAOYSA-N 1 2 329.404 0.951 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2cnc3onc(C)c3c2)CC1 ZINC000893915218 586366853 /nfs/dbraw/zinc/36/68/53/586366853.db2.gz RRSQDKIDKKVIMT-UHFFFAOYSA-N 1 2 329.404 0.951 20 30 ECEDLO N#Cc1cccc(OCC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)c1 ZINC000899055294 586464968 /nfs/dbraw/zinc/46/49/68/586464968.db2.gz KRMUVXZRTDBOOS-UHFFFAOYSA-N 1 2 331.372 0.502 20 30 ECEDLO N#Cc1cccc(OCC(=O)NCC[N@H+]2CCC3(C2)OCCO3)c1 ZINC000899055294 586464971 /nfs/dbraw/zinc/46/49/71/586464971.db2.gz KRMUVXZRTDBOOS-UHFFFAOYSA-N 1 2 331.372 0.502 20 30 ECEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000843241866 589055148 /nfs/dbraw/zinc/05/51/48/589055148.db2.gz ITGOTIKPYOBRRD-MRXNPFEDSA-N 1 2 340.427 0.992 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2[C@H]2CCC(=O)N2)CC1 ZINC000902114988 586720786 /nfs/dbraw/zinc/72/07/86/586720786.db2.gz ZYSAUVJQIAFMML-QGZVFWFLSA-N 1 2 340.427 0.827 20 30 ECEDLO Cn1cc(N2C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)CCC2=O)cn1 ZINC000905495330 586898173 /nfs/dbraw/zinc/89/81/73/586898173.db2.gz JTSVWAIWWXXZIZ-WBMJQRKESA-N 1 2 332.408 0.123 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000800918144 586977020 /nfs/dbraw/zinc/97/70/20/586977020.db2.gz AUOBROKFSXSBRH-NWDGAFQWSA-N 1 2 345.494 0.574 20 30 ECEDLO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000906833503 586985975 /nfs/dbraw/zinc/98/59/75/586985975.db2.gz QNDDAZKLPVGHJX-CQSZACIVSA-N 1 2 338.433 0.588 20 30 ECEDLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000906833503 586985976 /nfs/dbraw/zinc/98/59/76/586985976.db2.gz QNDDAZKLPVGHJX-CQSZACIVSA-N 1 2 338.433 0.588 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](CC(=O)NCc3ccccn3)CC2)cn1 ZINC000801553307 586998943 /nfs/dbraw/zinc/99/89/43/586998943.db2.gz MDZJBDAXIXBETC-UHFFFAOYSA-N 1 2 336.399 0.787 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCOc3cccc(F)c3C2)CC1 ZINC000801583703 586999854 /nfs/dbraw/zinc/99/98/54/586999854.db2.gz LVAFSZKMWDUUSD-UHFFFAOYSA-N 1 2 331.391 0.798 20 30 ECEDLO Cc1cc(C(=O)N(CCO)CC[NH+]2CCOCC2)cc(C)c1C#N ZINC000907071477 587012444 /nfs/dbraw/zinc/01/24/44/587012444.db2.gz PUZOCAYRTVTQOX-UHFFFAOYSA-N 1 2 331.416 0.942 20 30 ECEDLO N#CCOc1ccc(CN2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)cc1 ZINC000804161547 587080320 /nfs/dbraw/zinc/08/03/20/587080320.db2.gz SAMVNYWPSRUJQG-AWEZNQCLSA-N 1 2 325.328 0.975 20 30 ECEDLO N#CCOc1ccc(CN2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)cc1 ZINC000804161547 587080321 /nfs/dbraw/zinc/08/03/21/587080321.db2.gz SAMVNYWPSRUJQG-AWEZNQCLSA-N 1 2 325.328 0.975 20 30 ECEDLO C=CCN1CCN(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)C1=O ZINC000840061289 587095404 /nfs/dbraw/zinc/09/54/04/587095404.db2.gz WRYFUGWCBNEEPB-AWEZNQCLSA-N 1 2 342.465 0.367 20 30 ECEDLO C=CCN1CCN(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)C1=O ZINC000840061289 587095405 /nfs/dbraw/zinc/09/54/05/587095405.db2.gz WRYFUGWCBNEEPB-AWEZNQCLSA-N 1 2 342.465 0.367 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)CN2C(=O)[C@]3(CCCO3)[C@@H]2C2CC2)C1=O ZINC000840065259 587101591 /nfs/dbraw/zinc/10/15/91/587101591.db2.gz QVSADCQZLPLLEG-MPGHIAIKSA-N 1 2 333.432 0.833 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)CN2C(=O)[C@]3(CCCO3)[C@@H]2C2CC2)C1=O ZINC000840065259 587101592 /nfs/dbraw/zinc/10/15/92/587101592.db2.gz QVSADCQZLPLLEG-MPGHIAIKSA-N 1 2 333.432 0.833 20 30 ECEDLO COc1cc(F)ccc1N[NH+]=Cc1c(=O)n(C)c(=O)n(C)c1N(C)C ZINC000807985365 587140955 /nfs/dbraw/zinc/14/09/55/587140955.db2.gz OLNHNIWEUQOUGY-UHFFFAOYSA-N 1 2 349.366 0.744 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1)[C@@H]1CCCO1 ZINC000809312011 587174834 /nfs/dbraw/zinc/17/48/34/587174834.db2.gz KLCNGTNRLWBHNF-CABCVRRESA-N 1 2 330.388 0.344 20 30 ECEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 ZINC000809549850 587179801 /nfs/dbraw/zinc/17/98/01/587179801.db2.gz OFBNLBQHHJWGRM-UHFFFAOYSA-N 1 2 339.395 0.461 20 30 ECEDLO CCOc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)NO ZINC000809585315 587180502 /nfs/dbraw/zinc/18/05/02/587180502.db2.gz GOSFPUOEFIIKMK-UHFFFAOYSA-N 1 2 343.405 0.140 20 30 ECEDLO C#C[C@@H](C)NC(=O)N1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000812036369 587230396 /nfs/dbraw/zinc/23/03/96/587230396.db2.gz DORSYSUFNIWLGK-ABAIWWIYSA-N 1 2 325.372 0.847 20 30 ECEDLO C[N@H+](CCC#N)C[C@H](O)CNCc1nc(Cc2ccccc2)no1 ZINC000818979644 587462907 /nfs/dbraw/zinc/46/29/07/587462907.db2.gz SZPUSOPMCPCEFR-OAHLLOKOSA-N 1 2 329.404 0.956 20 30 ECEDLO C[N@@H+](CCC#N)C[C@H](O)CNCc1nc(Cc2ccccc2)no1 ZINC000818979644 587462909 /nfs/dbraw/zinc/46/29/09/587462909.db2.gz SZPUSOPMCPCEFR-OAHLLOKOSA-N 1 2 329.404 0.956 20 30 ECEDLO CN(CCC#N)C[C@H](O)C[NH2+]Cc1nc(Cc2ccccc2)no1 ZINC000818979644 587462911 /nfs/dbraw/zinc/46/29/11/587462911.db2.gz SZPUSOPMCPCEFR-OAHLLOKOSA-N 1 2 329.404 0.956 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(-c3nn[nH]n3)c2C)CC1 ZINC000819701745 587486076 /nfs/dbraw/zinc/48/60/76/587486076.db2.gz LWOOQXFBAMYBRZ-UHFFFAOYSA-N 1 2 339.403 0.364 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000819701348 587486393 /nfs/dbraw/zinc/48/63/93/587486393.db2.gz DMTXPZWDZWIRGD-UHFFFAOYSA-N 1 2 343.366 0.195 20 30 ECEDLO C[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CCN(O)C3=O)c2C1 ZINC000820149099 587513066 /nfs/dbraw/zinc/51/30/66/587513066.db2.gz LNLBHFDUKUAXHN-HNNXBMFYSA-N 1 2 340.383 0.943 20 30 ECEDLO C[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CCN(O)C3=O)c2C1 ZINC000820149099 587513069 /nfs/dbraw/zinc/51/30/69/587513069.db2.gz LNLBHFDUKUAXHN-HNNXBMFYSA-N 1 2 340.383 0.943 20 30 ECEDLO C#C[C@@H](NC(=O)N(CCO)CC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000820483472 587537441 /nfs/dbraw/zinc/53/74/41/587537441.db2.gz HAKLOCMFIKXDBG-QGZVFWFLSA-N 1 2 349.406 0.836 20 30 ECEDLO C#CCCN(CCOC)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000821188499 587577299 /nfs/dbraw/zinc/57/72/99/587577299.db2.gz XBIKLTBAKSUDDS-UHFFFAOYSA-N 1 2 349.435 0.719 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H](C)n2ccc(C)n2)CC1 ZINC000826555769 588069822 /nfs/dbraw/zinc/06/98/22/588069822.db2.gz VIYOLPLUFVOMPE-INIZCTEOSA-N 1 2 345.447 0.426 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](C)n2ccc(C)n2)CC1 ZINC000826555769 588069824 /nfs/dbraw/zinc/06/98/24/588069824.db2.gz VIYOLPLUFVOMPE-INIZCTEOSA-N 1 2 345.447 0.426 20 30 ECEDLO N#Cc1cc(Br)cnc1N1CCC[N@@H+](CC(N)=O)CC1 ZINC000827429680 588120096 /nfs/dbraw/zinc/12/00/96/588120096.db2.gz BCHFLKSHSZXGJF-UHFFFAOYSA-N 1 2 338.209 0.713 20 30 ECEDLO N#Cc1cc(Br)cnc1N1CCC[N@H+](CC(N)=O)CC1 ZINC000827429680 588120098 /nfs/dbraw/zinc/12/00/98/588120098.db2.gz BCHFLKSHSZXGJF-UHFFFAOYSA-N 1 2 338.209 0.713 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](CCc2c(F)cccc2F)CC1 ZINC000828103764 588158944 /nfs/dbraw/zinc/15/89/44/588158944.db2.gz YPMGVLYBMDQBSL-UHFFFAOYSA-N 1 2 343.399 0.593 20 30 ECEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000831472588 588428075 /nfs/dbraw/zinc/42/80/75/588428075.db2.gz FHNBLHXLGPTHTJ-UHFFFAOYSA-N 1 2 344.394 0.999 20 30 ECEDLO C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCn3cc[nH+]c32)c1 ZINC000833305738 588534290 /nfs/dbraw/zinc/53/42/90/588534290.db2.gz WTVWBNQNBDDHPY-CQSZACIVSA-N 1 2 344.396 0.669 20 30 ECEDLO CCN1C[C@H](C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)OC1=O ZINC000846815072 589225499 /nfs/dbraw/zinc/22/54/99/589225499.db2.gz IKFVWQOBKWZLKT-QWHCGFSZSA-N 1 2 330.392 0.699 20 30 ECEDLO CCN1C[C@H](C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)OC1=O ZINC000846815072 589225501 /nfs/dbraw/zinc/22/55/01/589225501.db2.gz IKFVWQOBKWZLKT-QWHCGFSZSA-N 1 2 330.392 0.699 20 30 ECEDLO N#Cc1c2c(cn(C[N@@H+]3CC[C@@H]4NC(=O)CC[C@H]4C3)c1=O)CCC2 ZINC000853560475 589549245 /nfs/dbraw/zinc/54/92/45/589549245.db2.gz XGNSROQHKOUSAN-BBRMVZONSA-N 1 2 326.400 0.767 20 30 ECEDLO N#Cc1c2c(cn(C[N@H+]3CC[C@@H]4NC(=O)CC[C@H]4C3)c1=O)CCC2 ZINC000853560475 589549246 /nfs/dbraw/zinc/54/92/46/589549246.db2.gz XGNSROQHKOUSAN-BBRMVZONSA-N 1 2 326.400 0.767 20 30 ECEDLO C#C[C@@H](NC(=O)N(CC[NH+]1CCOCC1)CC1CC1)[C@H]1CCCO1 ZINC000854003533 589567881 /nfs/dbraw/zinc/56/78/81/589567881.db2.gz JHTNQUHIKUBJAF-IAGOWNOFSA-N 1 2 335.448 0.921 20 30 ECEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@]2(C#N)CCCOC2)CC1 ZINC000866490914 589745960 /nfs/dbraw/zinc/74/59/60/589745960.db2.gz XZRSVPGTWUJVNM-MAUKXSAKSA-N 1 2 348.447 0.462 20 30 ECEDLO C#CCCS(=O)(=O)N1Cc2ccc[nH+]c2N2C[C@@H](OC)C[C@H]2C1 ZINC000867623364 589816808 /nfs/dbraw/zinc/81/68/08/589816808.db2.gz CCLFQPWTJLZYDZ-GJZGRUSLSA-N 1 2 335.429 0.844 20 30 ECEDLO CN1CCN(S(=O)(=O)c2cncc(C#N)c2)Cc2ccc[nH+]c21 ZINC000867899703 589861484 /nfs/dbraw/zinc/86/14/84/589861484.db2.gz IUIDSXNLNNAWQL-UHFFFAOYSA-N 1 2 329.385 0.989 20 30 ECEDLO COCCOCC[NH+]1CCN(C(=O)[C@]2(C#N)CCCOC2)CC1 ZINC000869165597 589951233 /nfs/dbraw/zinc/95/12/33/589951233.db2.gz MNZLLJOEDHOKNS-INIZCTEOSA-N 1 2 325.409 0.114 20 30 ECEDLO N#C[C@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)CCCOC1 ZINC000869486341 589967758 /nfs/dbraw/zinc/96/77/58/589967758.db2.gz WWQPGOHKMMFLHO-SJLPKXTDSA-N 1 2 344.415 0.719 20 30 ECEDLO N#C[C@]1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)CCCOC1 ZINC000869486341 589967761 /nfs/dbraw/zinc/96/77/61/589967761.db2.gz WWQPGOHKMMFLHO-SJLPKXTDSA-N 1 2 344.415 0.719 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000863786953 590037945 /nfs/dbraw/zinc/03/79/45/590037945.db2.gz KVJSAXDKABTPAY-MRXNPFEDSA-N 1 2 330.432 0.748 20 30 ECEDLO Cn1c(=O)[nH]cc(C(=O)C=Cc2[nH+]ccn2CC(F)(F)F)c1=O ZINC000123563531 590059997 /nfs/dbraw/zinc/05/99/97/590059997.db2.gz RFIQCJDEZDMXFL-NSCUHMNNSA-N 1 2 328.250 0.729 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2cc(CCO)ccc2OC)CC1 ZINC000871791753 590087092 /nfs/dbraw/zinc/08/70/92/590087092.db2.gz SVNYOOSHFRFJEJ-UHFFFAOYSA-N 1 2 332.400 0.386 20 30 ECEDLO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c(C#N)c1 ZINC000872475795 590119625 /nfs/dbraw/zinc/11/96/25/590119625.db2.gz QRZDHQJOBRIWFM-KBPBESRZSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1ccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c(C#N)c1 ZINC000872475795 590119628 /nfs/dbraw/zinc/11/96/28/590119628.db2.gz QRZDHQJOBRIWFM-KBPBESRZSA-N 1 2 337.445 0.942 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)Cn2ccc(C)n2)CC1 ZINC000865177743 590129720 /nfs/dbraw/zinc/12/97/20/590129720.db2.gz JCXTXDHIBBDSHE-OAHLLOKOSA-N 1 2 345.447 0.111 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)Cn2ccc(C)n2)CC1 ZINC000865177743 590129722 /nfs/dbraw/zinc/12/97/22/590129722.db2.gz JCXTXDHIBBDSHE-OAHLLOKOSA-N 1 2 345.447 0.111 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000875597015 590312467 /nfs/dbraw/zinc/31/24/67/590312467.db2.gz YBGMDLLUISOVEI-GJZGRUSLSA-N 1 2 346.431 0.671 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000875599720 590313085 /nfs/dbraw/zinc/31/30/85/590313085.db2.gz LTCWHNXSICVEFW-GJZGRUSLSA-N 1 2 332.404 0.591 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000875607590 590315354 /nfs/dbraw/zinc/31/53/54/590315354.db2.gz LEPUSFYOMJBNNI-AWEZNQCLSA-N 1 2 347.415 0.820 20 30 ECEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000879717525 590337461 /nfs/dbraw/zinc/33/74/61/590337461.db2.gz AAAODFIWRZJVGU-JSGCOSHPSA-N 1 2 348.428 0.928 20 30 ECEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000879717525 590337462 /nfs/dbraw/zinc/33/74/62/590337462.db2.gz AAAODFIWRZJVGU-JSGCOSHPSA-N 1 2 348.428 0.928 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879932163 590351818 /nfs/dbraw/zinc/35/18/18/590351818.db2.gz VJWUYCKGRCJDCU-ZNMIVQPWSA-N 1 2 326.462 0.942 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879932163 590351821 /nfs/dbraw/zinc/35/18/21/590351821.db2.gz VJWUYCKGRCJDCU-ZNMIVQPWSA-N 1 2 326.462 0.942 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cn(C[C@H]2CCCO2)nn1 ZINC000876510904 590384275 /nfs/dbraw/zinc/38/42/75/590384275.db2.gz RJHFLKUSBDZRJZ-QGZVFWFLSA-N 1 2 348.451 0.505 20 30 ECEDLO C#CCC1(O)CC[NH+](C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000880479675 590395077 /nfs/dbraw/zinc/39/50/77/590395077.db2.gz ZSRHLIUFMLJAKE-INIZCTEOSA-N 1 2 337.441 0.974 20 30 ECEDLO C=C(Br)Cn1cc(C[NH2+][C@@H]2CCS(=O)(=O)C2)nn1 ZINC000881427481 590454769 /nfs/dbraw/zinc/45/47/69/590454769.db2.gz MOKHQUDOMANDMC-SECBINFHSA-N 1 2 335.227 0.463 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnc(N2C[C@H]3CC[C@@H](C2)O3)nc1 ZINC000882203174 590526263 /nfs/dbraw/zinc/52/62/63/590526263.db2.gz QZLDDCUDDPZQGN-XHSDSOJGSA-N 1 2 341.415 0.880 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnc(N2C[C@H]3CC[C@@H](C2)O3)nc1 ZINC000882203174 590526264 /nfs/dbraw/zinc/52/62/64/590526264.db2.gz QZLDDCUDDPZQGN-XHSDSOJGSA-N 1 2 341.415 0.880 20 30 ECEDLO C#CCN(CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CSC1 ZINC000878912485 590550910 /nfs/dbraw/zinc/55/09/10/590550910.db2.gz GAWCHYZMNXOCCI-UHFFFAOYSA-N 1 2 325.478 0.264 20 30 ECEDLO C#CC1(F)CN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000883184312 590608508 /nfs/dbraw/zinc/60/85/08/590608508.db2.gz ULDLXHYSLFYJEP-HNNXBMFYSA-N 1 2 327.425 0.561 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000800073655 590710130 /nfs/dbraw/zinc/71/01/30/590710130.db2.gz YQSVOXDOVVFJSK-RYUDHWBXSA-N 1 2 345.494 0.432 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CC2(C(=O)OC)CCCC2)C1 ZINC000885508682 590728590 /nfs/dbraw/zinc/72/85/90/590728590.db2.gz JPCHGNUANBATSD-AWEZNQCLSA-N 1 2 342.461 0.737 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CC2(C(=O)OC)CCCC2)C1 ZINC000885508682 590728592 /nfs/dbraw/zinc/72/85/92/590728592.db2.gz JPCHGNUANBATSD-AWEZNQCLSA-N 1 2 342.461 0.737 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CC2(C(=O)OC)CCC2)C1 ZINC000885508937 590728935 /nfs/dbraw/zinc/72/89/35/590728935.db2.gz NTBFXIPCJMBPRR-ZDUSSCGKSA-N 1 2 328.434 0.347 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CC2(C(=O)OC)CCC2)C1 ZINC000885508937 590728938 /nfs/dbraw/zinc/72/89/38/590728938.db2.gz NTBFXIPCJMBPRR-ZDUSSCGKSA-N 1 2 328.434 0.347 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C1 ZINC000885511376 590729926 /nfs/dbraw/zinc/72/99/26/590729926.db2.gz GXSXEBNCDPQXFU-AWEZNQCLSA-N 1 2 345.424 0.904 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C1 ZINC000885511376 590729930 /nfs/dbraw/zinc/72/99/30/590729930.db2.gz GXSXEBNCDPQXFU-AWEZNQCLSA-N 1 2 345.424 0.904 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)OC)cc2)C1 ZINC000885514168 590730145 /nfs/dbraw/zinc/73/01/45/590730145.db2.gz RKURHHGBQCYMLG-AWEZNQCLSA-N 1 2 336.413 0.849 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)OC)cc2)C1 ZINC000885514168 590730148 /nfs/dbraw/zinc/73/01/48/590730148.db2.gz RKURHHGBQCYMLG-AWEZNQCLSA-N 1 2 336.413 0.849 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1cccc2c1CCOC2 ZINC000884380666 590817116 /nfs/dbraw/zinc/81/71/16/590817116.db2.gz JJGYSAAFCJKYRL-UHFFFAOYSA-N 1 2 348.472 0.890 20 30 ECEDLO Cn1cc(N2CCC[C@@H](O[NH+]=C(N)Cc3cccnc3)C2=O)cn1 ZINC000137655777 590831504 /nfs/dbraw/zinc/83/15/04/590831504.db2.gz RXCMDAUOPHTTKZ-CQSZACIVSA-N 1 2 328.376 0.842 20 30 ECEDLO N#Cc1csc(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)n1 ZINC000887974947 591025884 /nfs/dbraw/zinc/02/58/84/591025884.db2.gz FJOODMQFFZJARG-OLZOCXBDSA-N 1 2 336.417 0.511 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2n[nH]c(C3CCOCC3)n2)C1 ZINC000889470596 591057311 /nfs/dbraw/zinc/05/73/11/591057311.db2.gz RLWDAXUGRIVDLN-CQSZACIVSA-N 1 2 346.435 0.596 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2n[nH]c(C3CCOCC3)n2)C1 ZINC000889470596 591057314 /nfs/dbraw/zinc/05/73/14/591057314.db2.gz RLWDAXUGRIVDLN-CQSZACIVSA-N 1 2 346.435 0.596 20 30 ECEDLO N#Cc1cc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)ccc1C1CC1 ZINC000890056658 591122879 /nfs/dbraw/zinc/12/28/79/591122879.db2.gz ZLYJYOWSGKLCFC-UHFFFAOYSA-N 1 2 342.399 0.511 20 30 ECEDLO C#Cc1ccc(NC(=O)CC[N@H+]2CCN(CCOC)C(=O)C2)cc1 ZINC000930162804 611397317 /nfs/dbraw/zinc/39/73/17/611397317.db2.gz NJGHYCZLGAIRFC-UHFFFAOYSA-N 1 2 329.400 0.787 20 30 ECEDLO C#Cc1ccc(NC(=O)CC[N@@H+]2CCN(CCOC)C(=O)C2)cc1 ZINC000930162804 611397321 /nfs/dbraw/zinc/39/73/21/611397321.db2.gz NJGHYCZLGAIRFC-UHFFFAOYSA-N 1 2 329.400 0.787 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935790150 611401666 /nfs/dbraw/zinc/40/16/66/611401666.db2.gz XTWCFNTWHMJJDM-NCOADZHNSA-N 1 2 338.448 0.964 20 30 ECEDLO C=CCn1cc(C(=O)NC2CCN(C(=O)Cn3cc[nH+]c3)CC2)nn1 ZINC000947281239 611476822 /nfs/dbraw/zinc/47/68/22/611476822.db2.gz HMYQDNZFTHJOLD-UHFFFAOYSA-N 1 2 343.391 0.082 20 30 ECEDLO C#CC1(O)CC[NH+](CC(=O)Nc2ccccc2C(=O)NC2CC2)CC1 ZINC000931145833 611511161 /nfs/dbraw/zinc/51/11/61/611511161.db2.gz GQGXBRQCDMDVFM-UHFFFAOYSA-N 1 2 341.411 0.977 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCC[N@H+](Cc2nnnn2C)CC1 ZINC000948307034 611512527 /nfs/dbraw/zinc/51/25/27/611512527.db2.gz UQNNOFJPSQKDFK-CYBMUJFWSA-N 1 2 342.407 0.537 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCC[N@@H+](Cc2nnnn2C)CC1 ZINC000948307034 611512529 /nfs/dbraw/zinc/51/25/29/611512529.db2.gz UQNNOFJPSQKDFK-CYBMUJFWSA-N 1 2 342.407 0.537 20 30 ECEDLO CCOC(=O)[C@@H]1CCN(CC#CC[N@@H+]2CC[C@H](C(=O)OCC)C2)C1 ZINC000932640909 611647110 /nfs/dbraw/zinc/64/71/10/611647110.db2.gz DIHKGIPZNLKFRX-IYBDPMFKSA-N 1 2 336.432 0.760 20 30 ECEDLO CCOC(=O)[C@@H]1CCN(CC#CC[N@H+]2CC[C@H](C(=O)OCC)C2)C1 ZINC000932640909 611647111 /nfs/dbraw/zinc/64/71/11/611647111.db2.gz DIHKGIPZNLKFRX-IYBDPMFKSA-N 1 2 336.432 0.760 20 30 ECEDLO CCOC(=O)[C@@H]1CC[N@@H+](CC#CCN2CC[C@H](C(=O)OCC)C2)C1 ZINC000932640909 611647112 /nfs/dbraw/zinc/64/71/12/611647112.db2.gz DIHKGIPZNLKFRX-IYBDPMFKSA-N 1 2 336.432 0.760 20 30 ECEDLO CCOC(=O)[C@@H]1CC[N@H+](CC#CCN2CC[C@H](C(=O)OCC)C2)C1 ZINC000932640909 611647113 /nfs/dbraw/zinc/64/71/13/611647113.db2.gz DIHKGIPZNLKFRX-IYBDPMFKSA-N 1 2 336.432 0.760 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3c(C)c(C)n[nH]c3=O)CC2)C1 ZINC000949433352 608677267 /nfs/dbraw/zinc/67/72/67/608677267.db2.gz PRKHWFMFOGQNDS-UHFFFAOYSA-N 1 2 344.415 0.739 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3c(C)c(C)n[nH]c3=O)CC2)C1 ZINC000949433352 608677270 /nfs/dbraw/zinc/67/72/70/608677270.db2.gz PRKHWFMFOGQNDS-UHFFFAOYSA-N 1 2 344.415 0.739 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCC(=O)N3C)CC2)C1 ZINC000949433546 608677442 /nfs/dbraw/zinc/67/74/42/608677442.db2.gz YURLPSCSXQZCPG-HNNXBMFYSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCC(=O)N3C)CC2)C1 ZINC000949433546 608677443 /nfs/dbraw/zinc/67/74/43/608677443.db2.gz YURLPSCSXQZCPG-HNNXBMFYSA-N 1 2 333.432 0.324 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CCN(C(=O)Cn3cc[nH+]c3)CC2)cn1 ZINC000947275205 608712313 /nfs/dbraw/zinc/71/23/13/608712313.db2.gz NHVNXFQDHUIJNP-UHFFFAOYSA-N 1 2 337.383 0.680 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)Cc2cccc(=O)[nH]2)CC1 ZINC000933398359 608749831 /nfs/dbraw/zinc/74/98/31/608749831.db2.gz KQGNTTPTGGOZKW-MRXNPFEDSA-N 1 2 345.447 0.911 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)Cc2cccc(=O)[nH]2)CC1 ZINC000933398359 608749834 /nfs/dbraw/zinc/74/98/34/608749834.db2.gz KQGNTTPTGGOZKW-MRXNPFEDSA-N 1 2 345.447 0.911 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1cnn(C)n1 ZINC000947204709 608917938 /nfs/dbraw/zinc/91/79/38/608917938.db2.gz GTHCEXJJVDPICR-YPMHNXCESA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1cnn(C)n1 ZINC000947204709 608917940 /nfs/dbraw/zinc/91/79/40/608917940.db2.gz GTHCEXJJVDPICR-YPMHNXCESA-N 1 2 327.392 0.798 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3nnc(C)o3)[C@H](C)C2)nn1 ZINC000947792848 611692974 /nfs/dbraw/zinc/69/29/74/611692974.db2.gz TYFHYBXVORUQIH-YPMHNXCESA-N 1 2 345.407 0.938 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(C)o3)[C@H](C)C2)nn1 ZINC000947792848 611692975 /nfs/dbraw/zinc/69/29/75/611692975.db2.gz TYFHYBXVORUQIH-YPMHNXCESA-N 1 2 345.407 0.938 20 30 ECEDLO Cc1cccc(C#N)c1S(=O)(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000907790210 609622598 /nfs/dbraw/zinc/62/25/98/609622598.db2.gz NOGBGBUWJVCGDO-UHFFFAOYSA-N 1 2 336.461 0.735 20 30 ECEDLO Cc1cccc(C#N)c1S(=O)(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000907790210 609622600 /nfs/dbraw/zinc/62/26/00/609622600.db2.gz NOGBGBUWJVCGDO-UHFFFAOYSA-N 1 2 336.461 0.735 20 30 ECEDLO Cn1cc([C@@H]2CN(C(=O)COc3cccc(C#N)c3)CC[NH2+]2)cn1 ZINC000913470447 609677573 /nfs/dbraw/zinc/67/75/73/609677573.db2.gz ZZFQPEYKBJMVIO-INIZCTEOSA-N 1 2 325.372 0.844 20 30 ECEDLO N#CCCN1CCN(C(=O)c2cccn2CC[NH+]2CCOCC2)CC1 ZINC000913761699 609820763 /nfs/dbraw/zinc/82/07/63/609820763.db2.gz WNUVVACKBDBLSP-UHFFFAOYSA-N 1 2 345.447 0.492 20 30 ECEDLO COc1ccnc(N=NCc2c(OC)[nH+]c(N)nc2N2CCCC2)n1 ZINC000914696744 609895810 /nfs/dbraw/zinc/89/58/10/609895810.db2.gz LHTJKYCAZOUYPV-UHFFFAOYSA-N 1 2 344.379 0.912 20 30 ECEDLO CC(C)(CNC(=O)NCCNc1ccc(C#N)cn1)[NH+]1CCOCC1 ZINC000915895048 609927150 /nfs/dbraw/zinc/92/71/50/609927150.db2.gz JQIPGFMTIGGGNP-UHFFFAOYSA-N 1 2 346.435 0.775 20 30 ECEDLO CC[N@H+](CCS(C)(=O)=O)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000154235800 609956113 /nfs/dbraw/zinc/95/61/13/609956113.db2.gz ILUFXVSPWUBYNW-OAHLLOKOSA-N 1 2 340.445 0.859 20 30 ECEDLO CC[N@@H+](CCS(C)(=O)=O)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000154235800 609956114 /nfs/dbraw/zinc/95/61/14/609956114.db2.gz ILUFXVSPWUBYNW-OAHLLOKOSA-N 1 2 340.445 0.859 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000938861266 610000955 /nfs/dbraw/zinc/00/09/55/610000955.db2.gz DMFYCMSVKMHWGF-CFVMTHIKSA-N 1 2 332.404 0.271 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3csnn3)C2)nn1 ZINC000939277530 610146765 /nfs/dbraw/zinc/14/67/65/610146765.db2.gz QPQTUOSRDMNFKY-PWSUYJOCSA-N 1 2 333.421 0.566 20 30 ECEDLO CC(C)(C(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1)c1c[nH+]c[nH]1 ZINC000939929410 610172762 /nfs/dbraw/zinc/17/27/62/610172762.db2.gz INHLPNXYTUCNJZ-GFCCVEGCSA-N 1 2 340.387 0.918 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)COc3cc(C)ccc3F)CC2)C1 ZINC000941411296 610302351 /nfs/dbraw/zinc/30/23/51/610302351.db2.gz YMRZOWZONLDGSP-UHFFFAOYSA-N 1 2 345.418 0.975 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ncnc4sccc43)CC2)C1 ZINC000941414272 610303305 /nfs/dbraw/zinc/30/33/05/610303305.db2.gz QHOQMFFMQLSSPF-UHFFFAOYSA-N 1 2 341.440 0.767 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc(OCC)nc3)CC2)C1 ZINC000941428727 610308114 /nfs/dbraw/zinc/30/81/14/610308114.db2.gz VPAPUTIWDAHHFY-UHFFFAOYSA-N 1 2 342.443 0.946 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3[nH]ncc3C(F)(F)F)CC2)C1 ZINC000941433456 610313597 /nfs/dbraw/zinc/31/35/97/610313597.db2.gz WDQMCVDWCPTSRL-UHFFFAOYSA-N 1 2 341.337 0.504 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(N(C)C)cc3F)CC2)C1 ZINC000941436977 610314602 /nfs/dbraw/zinc/31/46/02/610314602.db2.gz MTKBNDFRGYCLHZ-UHFFFAOYSA-N 1 2 344.434 0.967 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3n[nH]c(CC)c3Cl)CC2)C1 ZINC000941440561 610316822 /nfs/dbraw/zinc/31/68/22/610316822.db2.gz NWJIPWOSPPQPPY-UHFFFAOYSA-N 1 2 335.839 0.701 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccc4ncn(C)c43)CC2)C1 ZINC000941463385 610321636 /nfs/dbraw/zinc/32/16/36/610321636.db2.gz UNZZEHUATRLOSW-UHFFFAOYSA-N 1 2 337.427 0.649 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)C1 ZINC000941448414 610323451 /nfs/dbraw/zinc/32/34/51/610323451.db2.gz ACFQLGPBACVRMC-UHFFFAOYSA-N 1 2 327.432 0.295 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000941449436 610323831 /nfs/dbraw/zinc/32/38/31/610323831.db2.gz HLRLJDXEKVANBS-UONOGXRCSA-N 1 2 329.404 0.666 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000941449768 610323973 /nfs/dbraw/zinc/32/39/73/610323973.db2.gz TYVDBSWNFJAQAT-KGLIPLIRSA-N 1 2 329.404 0.666 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CCCN(C(=O)CCn3cc[nH+]c3)CC2)c1 ZINC000940653213 610324654 /nfs/dbraw/zinc/32/46/54/610324654.db2.gz RDNNTFSZMBJKQG-UHFFFAOYSA-N 1 2 340.387 0.848 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@H]3CCOC[C@H]3OCC)CC2)C1 ZINC000941489278 610339607 /nfs/dbraw/zinc/33/96/07/610339607.db2.gz DOZFYUUAXIPVDN-SJLPKXTDSA-N 1 2 349.475 0.280 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000940739098 610351351 /nfs/dbraw/zinc/35/13/51/610351351.db2.gz BPKCACGVFOPGTI-KFWWJZLASA-N 1 2 332.404 0.581 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000940785950 610360937 /nfs/dbraw/zinc/36/09/37/610360937.db2.gz LOKGPQPAUWMFKQ-UHFFFAOYSA-N 1 2 340.387 0.537 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@@H](C)Cc4cn[nH]c43)CC2)C1 ZINC000941529624 610361619 /nfs/dbraw/zinc/36/16/19/610361619.db2.gz UGSDNTPZGKNYNZ-YOEHRIQHSA-N 1 2 341.459 0.537 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCCN(C(=O)CCc3c[nH]c[nH+]3)CC2)[nH]1 ZINC000940789839 610364148 /nfs/dbraw/zinc/36/41/48/610364148.db2.gz ZGYFGQFLAZVBEG-UHFFFAOYSA-N 1 2 340.387 0.917 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCCN(C(=O)CCc3c[nH+]c[nH]3)CC2)[nH]1 ZINC000940789839 610364150 /nfs/dbraw/zinc/36/41/50/610364150.db2.gz ZGYFGQFLAZVBEG-UHFFFAOYSA-N 1 2 340.387 0.917 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CCN(C2C[NH+]([C@@H]3CCCNC3=O)C2)CC1 ZINC000941550826 610373102 /nfs/dbraw/zinc/37/31/02/610373102.db2.gz RZVFWBAEJPSKGS-VQIMIIECSA-N 1 2 348.491 0.696 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000942278294 610378911 /nfs/dbraw/zinc/37/89/11/610378911.db2.gz CEGQNYFTHOPVGQ-MCIONIFRSA-N 1 2 332.404 0.651 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCc4nc[nH]c43)CC2)C1 ZINC000941564088 610384681 /nfs/dbraw/zinc/38/46/81/610384681.db2.gz WOXVWTNIEGBVGF-MRXNPFEDSA-N 1 2 341.459 0.681 20 30 ECEDLO N#Cc1cc(C(=O)N2CCCN(C(=O)Cc3[nH]cc[nH+]3)CC2)c[nH]1 ZINC000940812759 610386370 /nfs/dbraw/zinc/38/63/70/610386370.db2.gz WLXIDUIPBJDOBC-UHFFFAOYSA-N 1 2 326.360 0.527 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3csc4cncn43)CC2)C1 ZINC000941589946 610398694 /nfs/dbraw/zinc/39/86/94/610398694.db2.gz BCDPCIOWPBZRAK-UHFFFAOYSA-N 1 2 329.429 0.471 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(C(F)(F)F)n[nH]3)CC2)C1 ZINC000941605663 610404145 /nfs/dbraw/zinc/40/41/45/610404145.db2.gz SENONSMBFPOFMZ-UHFFFAOYSA-N 1 2 341.337 0.504 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccc4nsnc43)CC2)C1 ZINC000941627331 610416061 /nfs/dbraw/zinc/41/60/61/610416061.db2.gz DODBDURMOSDZPP-UHFFFAOYSA-N 1 2 341.440 0.767 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000942374514 610421344 /nfs/dbraw/zinc/42/13/44/610421344.db2.gz GQWOZJNSVHPZDF-KGLIPLIRSA-N 1 2 326.400 0.960 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cncnc3C(C)C)CC2)C1 ZINC000941670347 610444239 /nfs/dbraw/zinc/44/42/39/610444239.db2.gz OPDHUUSCJUBTGX-UHFFFAOYSA-N 1 2 327.432 0.675 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnc(OC)c(Cl)c3)CC2)C1 ZINC000941675291 610447983 /nfs/dbraw/zinc/44/79/83/610447983.db2.gz YAIFDOMJDDDSBL-UHFFFAOYSA-N 1 2 348.834 0.819 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000942447230 610454169 /nfs/dbraw/zinc/45/41/69/610454169.db2.gz FYPXBBNNKVVNPZ-KFWWJZLASA-N 1 2 346.431 0.661 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@H]2CC2(C)C)C[C@H]1OC ZINC000942513344 610492437 /nfs/dbraw/zinc/49/24/37/610492437.db2.gz NENYOPJSMOVYTA-LVQVYYBASA-N 1 2 347.459 0.472 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@H]2CC2(C)C)C[C@H]1OC ZINC000942513344 610492439 /nfs/dbraw/zinc/49/24/39/610492439.db2.gz NENYOPJSMOVYTA-LVQVYYBASA-N 1 2 347.459 0.472 20 30 ECEDLO C#CC[N@H+]1CC[C@@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)C(C)(C)C1 ZINC000941090825 610531953 /nfs/dbraw/zinc/53/19/53/610531953.db2.gz KBQBDKGESLNZQN-CZUORRHYSA-N 1 2 326.462 0.804 20 30 ECEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)C(C)(C)C1 ZINC000941090825 610531954 /nfs/dbraw/zinc/53/19/54/610531954.db2.gz KBQBDKGESLNZQN-CZUORRHYSA-N 1 2 326.462 0.804 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3nncn3C)C[C@@H]2C)c1 ZINC000942618780 610537634 /nfs/dbraw/zinc/53/76/34/610537634.db2.gz WVFLMMBCSLSXGV-XJKSGUPXSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3nncn3C)C[C@@H]2C)c1 ZINC000942618780 610537636 /nfs/dbraw/zinc/53/76/36/610537636.db2.gz WVFLMMBCSLSXGV-XJKSGUPXSA-N 1 2 338.415 0.832 20 30 ECEDLO Cc1ncc(C[NH+]2CC(N3CCN(C(=O)[C@H](C)C#N)CC3)C2)s1 ZINC000941344970 610682540 /nfs/dbraw/zinc/68/25/40/610682540.db2.gz MMSPUTMFXPAUNH-GFCCVEGCSA-N 1 2 333.461 0.940 20 30 ECEDLO Cc1nn(C)cc1C[NH+]1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC000941348881 610685558 /nfs/dbraw/zinc/68/55/58/610685558.db2.gz RWDSLRDLGIELPS-CYBMUJFWSA-N 1 2 330.436 0.217 20 30 ECEDLO C=C(Cl)CN1CC(N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC000941391685 610705965 /nfs/dbraw/zinc/70/59/65/610705965.db2.gz FSMDEZAIBDUOLR-UHFFFAOYSA-N 1 2 337.855 0.923 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC000944149069 610748475 /nfs/dbraw/zinc/74/84/75/610748475.db2.gz KTPIEUYXADBGFO-BMFZPTHFSA-N 1 2 346.431 0.661 20 30 ECEDLO C=C1CCC(C(=O)NC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CCO2)CC1 ZINC000944759757 610766987 /nfs/dbraw/zinc/76/69/87/610766987.db2.gz SGAFCNXRTLLWMP-MRXNPFEDSA-N 1 2 346.431 0.973 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ncnn3C)C[C@@H]2C)cn1 ZINC000944213861 610786035 /nfs/dbraw/zinc/78/60/35/610786035.db2.gz GWZCPQJHZLGDPB-XJKSGUPXSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ncnn3C)C[C@@H]2C)cn1 ZINC000944213861 610786036 /nfs/dbraw/zinc/78/60/36/610786036.db2.gz GWZCPQJHZLGDPB-XJKSGUPXSA-N 1 2 338.415 0.832 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cn(C)nn3)C[C@H]2C)nn1 ZINC000943483192 610869349 /nfs/dbraw/zinc/86/93/49/610869349.db2.gz UZRQPYAGMJFWAC-OCCSQVGLSA-N 1 2 344.423 0.233 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nn3)C[C@H]2C)nn1 ZINC000943483192 610869351 /nfs/dbraw/zinc/86/93/51/610869351.db2.gz UZRQPYAGMJFWAC-OCCSQVGLSA-N 1 2 344.423 0.233 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000943552055 610899114 /nfs/dbraw/zinc/89/91/14/610899114.db2.gz XTNQZFAWRGZGOX-OAGGEKHMSA-N 1 2 346.431 0.972 20 30 ECEDLO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000945252198 610982051 /nfs/dbraw/zinc/98/20/51/610982051.db2.gz JQSHFLFVKQQRRM-BXUZGUMPSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000945542880 611066807 /nfs/dbraw/zinc/06/68/07/611066807.db2.gz QQKDRKRMGIONAU-SMDDNHRTSA-N 1 2 340.387 0.819 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2coc(S(=O)(=O)N(C)C)c2)C1 ZINC000923567256 611262617 /nfs/dbraw/zinc/26/26/17/611262617.db2.gz RMAWXGFVRSGXGJ-ZDUSSCGKSA-N 1 2 339.417 0.357 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2coc(S(=O)(=O)N(C)C)c2)C1 ZINC000923567256 611262618 /nfs/dbraw/zinc/26/26/18/611262618.db2.gz RMAWXGFVRSGXGJ-ZDUSSCGKSA-N 1 2 339.417 0.357 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)Cn2cc[nH+]c2)[nH]1 ZINC000946240290 611314467 /nfs/dbraw/zinc/31/44/67/611314467.db2.gz NYCRHAWAZHUOBW-OCCSQVGLSA-N 1 2 340.387 0.798 20 30 ECEDLO C#CC[NH+]1CCC(NC(=O)NCC2(S(C)(=O)=O)CCC2)CC1 ZINC000922281805 611345164 /nfs/dbraw/zinc/34/51/64/611345164.db2.gz NBZKVTBCCMRYDX-UHFFFAOYSA-N 1 2 327.450 0.351 20 30 ECEDLO N#Cc1ccc([C@H]2C[N@H+](CCCN3C(=O)CNC3=O)CCO2)cc1 ZINC000933625291 611736238 /nfs/dbraw/zinc/73/62/38/611736238.db2.gz RRNYCYGKOKRLMJ-OAHLLOKOSA-N 1 2 328.372 0.873 20 30 ECEDLO N#Cc1ccc([C@H]2C[N@@H+](CCCN3C(=O)CNC3=O)CCO2)cc1 ZINC000933625291 611736240 /nfs/dbraw/zinc/73/62/40/611736240.db2.gz RRNYCYGKOKRLMJ-OAHLLOKOSA-N 1 2 328.372 0.873 20 30 ECEDLO O=C(C[NH+]1CCC2(CC1)CC(=O)C=CO2)NCC(=O)N1CCCC1 ZINC000933654034 611739178 /nfs/dbraw/zinc/73/91/78/611739178.db2.gz ZVNSHDCHAVDXLE-UHFFFAOYSA-N 1 2 335.404 0.063 20 30 ECEDLO C=CCC[NH+]1CC(N(CC)C(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC000950731858 611867614 /nfs/dbraw/zinc/86/76/14/611867614.db2.gz YLINBYWGGIBWRF-UHFFFAOYSA-N 1 2 327.406 0.649 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)cn1 ZINC000950800578 611913619 /nfs/dbraw/zinc/91/36/19/611913619.db2.gz KABRAOUDTSKEQF-CZUORRHYSA-N 1 2 337.383 0.536 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cc1c[nH+]cn1C ZINC000950230510 611915650 /nfs/dbraw/zinc/91/56/50/611915650.db2.gz HUELVPWKXIKJNV-IMJJTQAJSA-N 1 2 346.431 0.661 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000949350385 611947519 /nfs/dbraw/zinc/94/75/19/611947519.db2.gz AZGOXCQMQJBLRP-CABCVRRESA-N 1 2 346.431 0.898 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)Cn3cccc(C)c3=O)CC2)C1 ZINC000949365971 611953709 /nfs/dbraw/zinc/95/37/09/611953709.db2.gz NNHNKIRIUMUKGH-UHFFFAOYSA-N 1 2 343.427 0.483 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)Cn3cccc(C)c3=O)CC2)C1 ZINC000949365971 611953710 /nfs/dbraw/zinc/95/37/10/611953710.db2.gz NNHNKIRIUMUKGH-UHFFFAOYSA-N 1 2 343.427 0.483 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)C1 ZINC000949398109 611964935 /nfs/dbraw/zinc/96/49/35/611964935.db2.gz HZWJRNUWJVPYGT-OAHLLOKOSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)CC2)C1 ZINC000949398109 611964937 /nfs/dbraw/zinc/96/49/37/611964937.db2.gz HZWJRNUWJVPYGT-OAHLLOKOSA-N 1 2 333.432 0.181 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000950320276 611969730 /nfs/dbraw/zinc/96/97/30/611969730.db2.gz QXRKTSOMDJUEBM-CYBMUJFWSA-N 1 2 340.387 0.583 20 30 ECEDLO C#CCC[N@@H+]1CCOC2(CCN(C(=O)C3=NC(=O)N(C)C3)CC2)C1 ZINC000949462345 611989250 /nfs/dbraw/zinc/98/92/50/611989250.db2.gz FACXMBJVUIVAID-UHFFFAOYSA-N 1 2 332.404 0.456 20 30 ECEDLO C#CCC[N@H+]1CCOC2(CCN(C(=O)C3=NC(=O)N(C)C3)CC2)C1 ZINC000949462345 611989254 /nfs/dbraw/zinc/98/92/54/611989254.db2.gz FACXMBJVUIVAID-UHFFFAOYSA-N 1 2 332.404 0.456 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCC3(CC2)C[N@@H+]([C@@H]2CCNC2=O)CCO3)C1 ZINC000949468616 611990724 /nfs/dbraw/zinc/99/07/24/611990724.db2.gz JFEUAZKEKXQNON-OAHLLOKOSA-N 1 2 347.459 0.925 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCC3(CC2)C[N@H+]([C@@H]2CCNC2=O)CCO3)C1 ZINC000949468616 611990725 /nfs/dbraw/zinc/99/07/25/611990725.db2.gz JFEUAZKEKXQNON-OAHLLOKOSA-N 1 2 347.459 0.925 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C(=O)N3CCC(C)CC3)CC2)C1 ZINC000949489851 612002849 /nfs/dbraw/zinc/00/28/49/612002849.db2.gz SRJGONGOMHMJNT-UHFFFAOYSA-N 1 2 347.459 0.572 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C(=O)N3CCC(C)CC3)CC2)C1 ZINC000949489851 612002852 /nfs/dbraw/zinc/00/28/52/612002852.db2.gz SRJGONGOMHMJNT-UHFFFAOYSA-N 1 2 347.459 0.572 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](C)N3CCCCC3=O)CC2)C1 ZINC000949529479 612022463 /nfs/dbraw/zinc/02/24/63/612022463.db2.gz VYVZWYVAVFSEAO-INIZCTEOSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H](C)N3CCCCC3=O)CC2)C1 ZINC000949529479 612022464 /nfs/dbraw/zinc/02/24/64/612022464.db2.gz VYVZWYVAVFSEAO-INIZCTEOSA-N 1 2 347.459 0.714 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)c1 ZINC000951249717 612104010 /nfs/dbraw/zinc/10/40/10/612104010.db2.gz DYCBTCLIAKGXEU-CYBMUJFWSA-N 1 2 326.360 0.504 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC000951255189 612109254 /nfs/dbraw/zinc/10/92/54/612109254.db2.gz KGWRMVURZXQUGW-ZDUSSCGKSA-N 1 2 343.391 0.082 20 30 ECEDLO N#Cc1cc(C(=O)N[C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)c[nH]1 ZINC000951458422 612247965 /nfs/dbraw/zinc/24/79/65/612247965.db2.gz IEJFPKMCNBLWTK-AWEZNQCLSA-N 1 2 340.387 0.894 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC000953330280 612252021 /nfs/dbraw/zinc/25/20/21/612252021.db2.gz GELZBHIOSNGNBK-HOCLYGCPSA-N 1 2 326.400 0.815 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[NH+](CCn3cccn3)CC2)nn1 ZINC000951606838 612391823 /nfs/dbraw/zinc/39/18/23/612391823.db2.gz ACILNRFAUPTGHF-UHFFFAOYSA-N 1 2 329.408 0.509 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCn3cnnn3)CC2)cc1 ZINC000952392707 612406428 /nfs/dbraw/zinc/40/64/28/612406428.db2.gz WQOWJFKERLQJRX-UHFFFAOYSA-N 1 2 325.376 0.279 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]cc[nH+]1 ZINC000952587361 612534380 /nfs/dbraw/zinc/53/43/80/612534380.db2.gz POEKDRBDPNRDMI-CABCVRRESA-N 1 2 326.400 0.958 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000956079597 612683608 /nfs/dbraw/zinc/68/36/08/612683608.db2.gz KDIUSAVYEVZJCV-ZOBUZTSGSA-N 1 2 346.431 0.972 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CCCN2C(=O)CCn2cc[nH+]c2)c[nH]1 ZINC000956118900 612722800 /nfs/dbraw/zinc/72/28/00/612722800.db2.gz RAJVBVGLDXAAPQ-HNNXBMFYSA-N 1 2 340.387 0.894 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000954840751 612736002 /nfs/dbraw/zinc/73/60/02/612736002.db2.gz SKQMLQSYJXSJSB-KGLIPLIRSA-N 1 2 346.431 0.948 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000955722951 612792016 /nfs/dbraw/zinc/79/20/16/612792016.db2.gz ADTAVMXLJFVUQM-OCCSQVGLSA-N 1 2 340.387 0.892 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000955797937 612845049 /nfs/dbraw/zinc/84/50/49/612845049.db2.gz PDRMIXYAVSMMDB-WCQYABFASA-N 1 2 340.387 0.961 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[NH+]([C@H]3CCN(C(C)=O)C3)CC2)c1 ZINC000956603597 612924314 /nfs/dbraw/zinc/92/43/14/612924314.db2.gz CSTAQMBXKAHODD-KRWDZBQOSA-N 1 2 326.400 0.442 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CC(F)(F)F)C2)CC1 ZINC000956605399 612924604 /nfs/dbraw/zinc/92/46/04/612924604.db2.gz KQWDDIDAXLHRRN-NWDGAFQWSA-N 1 2 346.353 0.844 20 30 ECEDLO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cn[nH]c3-c3cnn(C)c3)C2)C1 ZINC001041779238 782186849 /nfs/dbraw/zinc/18/68/49/782186849.db2.gz OFLHWUTZMFWZSL-GOSISDBHSA-N 1 2 338.415 0.981 20 30 ECEDLO C#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3cn[nH]c3-c3cnn(C)c3)C2)C1 ZINC001041779238 782186842 /nfs/dbraw/zinc/18/68/42/782186842.db2.gz OFLHWUTZMFWZSL-GOSISDBHSA-N 1 2 338.415 0.981 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1c1cnc(C#N)cn1 ZINC001067549480 731519640 /nfs/dbraw/zinc/51/96/40/731519640.db2.gz IRXYPGSKKAXAQV-VXGBXAGGSA-N 1 2 325.376 0.788 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1c1cnc(C#N)cn1 ZINC001067549476 731522494 /nfs/dbraw/zinc/52/24/94/731522494.db2.gz IRXYPGSKKAXAQV-NEPJUHHUSA-N 1 2 325.376 0.788 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2nc(C)n3ccccc23)[C@@H](n2ccnn2)C1 ZINC001069978050 790270460 /nfs/dbraw/zinc/27/04/60/790270460.db2.gz UDQRJQVISQPZKN-ZBFHGGJFSA-N 1 2 349.398 0.523 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2nc(C)n3ccccc23)[C@@H](n2ccnn2)C1 ZINC001069978050 790270462 /nfs/dbraw/zinc/27/04/62/790270462.db2.gz UDQRJQVISQPZKN-ZBFHGGJFSA-N 1 2 349.398 0.523 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ncc3ccccn32)[C@@H](n2ccnn2)C1 ZINC001069977883 790270537 /nfs/dbraw/zinc/27/05/37/790270537.db2.gz LKSZZQKAWWIWNS-CABCVRRESA-N 1 2 335.371 0.214 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ncc3ccccn32)[C@@H](n2ccnn2)C1 ZINC001069977883 790270542 /nfs/dbraw/zinc/27/05/42/790270542.db2.gz LKSZZQKAWWIWNS-CABCVRRESA-N 1 2 335.371 0.214 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc3ccc(C)cn32)[C@@H](n2ccnn2)C1 ZINC001069978042 790270565 /nfs/dbraw/zinc/27/05/65/790270565.db2.gz TUUNJNZLYVOUFL-ZBFHGGJFSA-N 1 2 349.398 0.523 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3ccc(C)cn32)[C@@H](n2ccnn2)C1 ZINC001069978042 790270569 /nfs/dbraw/zinc/27/05/69/790270569.db2.gz TUUNJNZLYVOUFL-ZBFHGGJFSA-N 1 2 349.398 0.523 20 30 ECEDLO CN(C[C@H](O)CN(C)c1ccncc1C#N)C(=O)Cc1c[nH+]c[nH]1 ZINC001125299613 731920202 /nfs/dbraw/zinc/92/02/02/731920202.db2.gz SJJSOMSWQSQYBB-CQSZACIVSA-N 1 2 328.376 0.175 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2nnn(C)n2)c1 ZINC001025078193 738610734 /nfs/dbraw/zinc/61/07/34/738610734.db2.gz PQDFCUNYTJZKJW-OAHLLOKOSA-N 1 2 339.403 0.371 20 30 ECEDLO COc1ccc(C#N)cc1C[NH+]1CC([C@H](C)NC(=O)c2cn[nH]n2)C1 ZINC000970024860 732633145 /nfs/dbraw/zinc/63/31/45/732633145.db2.gz QEOWCOKZEFTZLK-NSHDSACASA-N 1 2 340.387 0.935 20 30 ECEDLO COc1ccc(C#N)cc1C[NH+]1CC([C@H](C)NC(=O)c2cnn[nH]2)C1 ZINC000970024860 732633146 /nfs/dbraw/zinc/63/31/46/732633146.db2.gz QEOWCOKZEFTZLK-NSHDSACASA-N 1 2 340.387 0.935 20 30 ECEDLO C#Cc1cncc(C(=O)NCCC2(C[NH2+]Cc3nnn(C)n3)CC2)c1 ZINC001167136132 732921871 /nfs/dbraw/zinc/92/18/71/732921871.db2.gz IFSRJLCNTNJCGI-UHFFFAOYSA-N 1 2 339.403 0.276 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2c[nH+]c[nH]2)c1 ZINC000970145702 732968831 /nfs/dbraw/zinc/96/88/31/732968831.db2.gz DXXLRFQAOPWGPT-CALCHBBNSA-N 1 2 349.394 0.844 20 30 ECEDLO CCO[C@@H](C)c1noc(C[NH2+]CCNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001125370325 733178421 /nfs/dbraw/zinc/17/84/21/733178421.db2.gz MEIIGSBFHXQUHI-JTQLQIEISA-N 1 2 332.364 0.886 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+](CC(=O)NC3CC3)C2)cc1 ZINC000970255418 733262730 /nfs/dbraw/zinc/26/27/30/733262730.db2.gz HJXPQQRSTHXGCX-CYBMUJFWSA-N 1 2 325.412 0.997 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2O)CC1 ZINC000970333788 733376459 /nfs/dbraw/zinc/37/64/59/733376459.db2.gz NTMHLALFQDAEBO-CVEARBPZSA-N 1 2 346.431 0.695 20 30 ECEDLO C#CCOc1ncccc1C(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC000970511054 733632596 /nfs/dbraw/zinc/63/25/96/733632596.db2.gz DXPFWSSZZZPAIH-GFCCVEGCSA-N 1 2 343.412 0.949 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CN(C(C)=O)CCO2)C1 ZINC000970825128 733993494 /nfs/dbraw/zinc/99/34/94/733993494.db2.gz IEQJESKIXWXSJV-BXUZGUMPSA-N 1 2 329.828 0.423 20 30 ECEDLO N#Cc1ccc(N2CCO[C@@H](CNC(=O)CCc3[nH]cc[nH+]3)C2)cn1 ZINC001104308930 734204031 /nfs/dbraw/zinc/20/40/31/734204031.db2.gz YEAORSACVOEKTQ-HNNXBMFYSA-N 1 2 340.387 0.631 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC000971119152 734282331 /nfs/dbraw/zinc/28/23/31/734282331.db2.gz CSBXTAQKAHFFPF-NWDGAFQWSA-N 1 2 333.226 0.843 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC000971119152 734282332 /nfs/dbraw/zinc/28/23/32/734282332.db2.gz CSBXTAQKAHFFPF-NWDGAFQWSA-N 1 2 333.226 0.843 20 30 ECEDLO Cc1nc(N2CCO[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)ccc1C#N ZINC001104326004 734322208 /nfs/dbraw/zinc/32/22/08/734322208.db2.gz CLINCXFIBLSGEU-CQSZACIVSA-N 1 2 340.387 0.549 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC000971214145 734365037 /nfs/dbraw/zinc/36/50/37/734365037.db2.gz PMQVKFNYLHXDMP-HIFRSBDPSA-N 1 2 331.420 0.651 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC000971214145 734365039 /nfs/dbraw/zinc/36/50/39/734365039.db2.gz PMQVKFNYLHXDMP-HIFRSBDPSA-N 1 2 331.420 0.651 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N(CCO)CCNc1ncccc1C#N ZINC001111488964 734401503 /nfs/dbraw/zinc/40/15/03/734401503.db2.gz CAGIIPZQFZDQKH-UHFFFAOYSA-N 1 2 328.376 0.162 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc(C4CC4)[nH]c3=O)[C@H]2C1 ZINC001083217423 734537673 /nfs/dbraw/zinc/53/76/73/734537673.db2.gz YGNKTJUBRDFVLS-UONOGXRCSA-N 1 2 328.372 0.218 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc(C4CC4)[nH]c3=O)[C@H]2C1 ZINC001083217423 734537677 /nfs/dbraw/zinc/53/76/77/734537677.db2.gz YGNKTJUBRDFVLS-UONOGXRCSA-N 1 2 328.372 0.218 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cnnn2C)C1 ZINC000971555406 734744367 /nfs/dbraw/zinc/74/43/67/734744367.db2.gz DYHHFODSXKDDFW-IMJJTQAJSA-N 1 2 333.436 0.829 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cnnn2C)C1 ZINC000971555406 734744373 /nfs/dbraw/zinc/74/43/73/734744373.db2.gz DYHHFODSXKDDFW-IMJJTQAJSA-N 1 2 333.436 0.829 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC000971730134 735002195 /nfs/dbraw/zinc/00/21/95/735002195.db2.gz PDKLDCVXEUHGDG-VXGBXAGGSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC000971730134 735002196 /nfs/dbraw/zinc/00/21/96/735002196.db2.gz PDKLDCVXEUHGDG-VXGBXAGGSA-N 1 2 344.253 0.954 20 30 ECEDLO CC(C)N(CCN(C)c1cnc(C#N)cn1)C(=O)Cc1c[nH+]cn1C ZINC001125551214 735260703 /nfs/dbraw/zinc/26/07/03/735260703.db2.gz NWQIRWUUCXKTBE-UHFFFAOYSA-N 1 2 341.419 0.998 20 30 ECEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972206877 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N#Cc1ccc(N2CCC3(C[C@@H]3NC(=O)Cc3c[nH]c[nH+]3)CC2)nn1 ZINC001058650954 739778582 /nfs/dbraw/zinc/77/85/82/739778582.db2.gz YIOYWEIZRVVPLK-AWEZNQCLSA-N 1 2 337.387 0.789 20 30 ECEDLO CC(C)C#CC(=O)N1CC(n2cc(C[NH2+]Cc3ccnn3C)nn2)C1 ZINC001105238170 741525053 /nfs/dbraw/zinc/52/50/53/741525053.db2.gz NFLAHSCFYOFRHW-UHFFFAOYSA-N 1 2 341.419 0.344 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC(n2cc(C[NH2+]C/C=C\Cl)nn2)C1 ZINC001105240752 741529212 /nfs/dbraw/zinc/52/92/12/741529212.db2.gz ZWCNIBAWNTYYLJ-QMAVJUDZSA-N 1 2 337.811 0.542 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CC#CC)nn2)C1 ZINC001105242670 741539691 /nfs/dbraw/zinc/53/96/91/741539691.db2.gz CNYPSOLKJPISOC-SJORKVTESA-N 1 2 343.431 0.756 20 30 ECEDLO C=CCC(CC=C)C(=O)N1CC(n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001105249044 741552040 /nfs/dbraw/zinc/55/20/40/741552040.db2.gz GTUORVXSMNZYCY-UHFFFAOYSA-N 1 2 346.435 0.265 20 30 ECEDLO CC(C)[C@H](CNC(=O)CCn1cc[nH+]c1)Nc1ccnc(C#N)n1 ZINC001105251001 741557409 /nfs/dbraw/zinc/55/74/09/741557409.db2.gz ZFJNXBFHGRCMNI-ZDUSSCGKSA-N 1 2 327.392 0.610 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N2CC(n3cc(CNCC#N)nn3)C2)c[nH+]1 ZINC001105268729 741611998 /nfs/dbraw/zinc/61/19/98/741611998.db2.gz WXWBJORERAQXLC-UHFFFAOYSA-N 1 2 342.407 0.215 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCn4nccc43)C2)nn1 ZINC001105272172 741617473 /nfs/dbraw/zinc/61/74/73/741617473.db2.gz BWPXIGIFUZHAGF-OAHLLOKOSA-N 1 2 339.403 0.158 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccnc(OC)c3)C2)nn1 ZINC001105275725 741623168 /nfs/dbraw/zinc/62/31/68/741623168.db2.gz ZJMPALDPHYJEFZ-UHFFFAOYSA-N 1 2 340.387 0.492 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C(F)F)n(C)n3)C2)nn1 ZINC001105280756 741636726 /nfs/dbraw/zinc/63/67/26/741636726.db2.gz BGXORQHPNSDEIR-UHFFFAOYSA-N 1 2 349.345 0.369 20 30 ECEDLO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCCCc3cn[nH]n3)C2)nn1 ZINC001105290646 741652068 /nfs/dbraw/zinc/65/20/68/741652068.db2.gz VWSNGOPXLUPGPH-UHFFFAOYSA-N 1 2 344.423 0.468 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(OC)cs3)C2)nn1 ZINC001105297172 741674474 /nfs/dbraw/zinc/67/44/74/741674474.db2.gz IWCFANWXQVGBDD-UHFFFAOYSA-N 1 2 331.401 0.768 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)C=C)C2)nn1 ZINC001105297302 741674565 /nfs/dbraw/zinc/67/45/65/741674565.db2.gz LEDMQXBCYQCDEH-UHFFFAOYSA-N 1 2 346.435 0.265 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001105310297 741715592 /nfs/dbraw/zinc/71/55/92/741715592.db2.gz WRZNDLJDUPFSSS-RYUDHWBXSA-N 1 2 334.424 0.227 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CC(n2cc(C[NH2+][C@H](CC)C(N)=O)nn2)C1 ZINC001105309794 741718405 /nfs/dbraw/zinc/71/84/05/741718405.db2.gz CIHQZHYZEAEBNQ-IUODEOHRSA-N 1 2 348.451 0.617 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CC(n2cc(C[NH2+][C@H]3CCNC3=O)nn2)C1 ZINC001105309994 741718990 /nfs/dbraw/zinc/71/89/90/741718990.db2.gz LLYIOMGETOTMSI-WFASDCNBSA-N 1 2 346.435 0.242 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CC(n2cc(C[NH2+]CC(=O)NCC)nn2)C1 ZINC001105310172 741719720 /nfs/dbraw/zinc/71/97/20/741719720.db2.gz RNPRMTULHOFGBA-CYBMUJFWSA-N 1 2 348.451 0.489 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001058730834 741757402 /nfs/dbraw/zinc/75/74/02/741757402.db2.gz KCSJNMDADZIETJ-KRWDZBQOSA-N 1 2 336.436 0.882 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001058730834 741757406 /nfs/dbraw/zinc/75/74/06/741757406.db2.gz KCSJNMDADZIETJ-KRWDZBQOSA-N 1 2 336.436 0.882 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CC(n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001105319088 741771901 /nfs/dbraw/zinc/77/19/01/741771901.db2.gz YMDPOCRRVYSUSM-BZNIZROVSA-N 1 2 334.424 0.227 20 30 ECEDLO C=C1CCC(C(=O)N2CC(n3cc(C[NH2+][C@H](C)C(N)=O)nn3)C2)CC1 ZINC001105322184 741779214 /nfs/dbraw/zinc/77/92/14/741779214.db2.gz CRLFAEVFHZULRU-GFCCVEGCSA-N 1 2 346.435 0.371 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C(F)F)n[nH]3)C2)nn1 ZINC001105325596 741801839 /nfs/dbraw/zinc/80/18/39/741801839.db2.gz SFIYFHHEWKFOHH-UHFFFAOYSA-N 1 2 349.345 0.749 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3cncs3)C2)nn1 ZINC001105328568 741820360 /nfs/dbraw/zinc/82/03/60/741820360.db2.gz KMEYLAYLTMZPQN-UHFFFAOYSA-N 1 2 330.417 0.474 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2csnn2)CC1(C)C ZINC000974683653 742012200 /nfs/dbraw/zinc/01/22/00/742012200.db2.gz CFNDOVBJOVZQDW-LSDHHAIUSA-N 1 2 347.488 0.962 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2csnn2)CC1(C)C ZINC000974683653 742012203 /nfs/dbraw/zinc/01/22/03/742012203.db2.gz CFNDOVBJOVZQDW-LSDHHAIUSA-N 1 2 347.488 0.962 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H](CNc1ccnc(C#N)n1)C(C)(C)C ZINC001125964355 742142253 /nfs/dbraw/zinc/14/22/53/742142253.db2.gz PEKPEYJAULFMIJ-CYBMUJFWSA-N 1 2 341.419 0.689 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cc(C)no3)C2)C1=O ZINC001006744818 751755397 /nfs/dbraw/zinc/75/53/97/751755397.db2.gz WXDQYOSBHSGYJI-UONOGXRCSA-N 1 2 332.404 0.964 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cc(C)no3)C2)C1=O ZINC001006744818 751755404 /nfs/dbraw/zinc/75/54/04/751755404.db2.gz WXDQYOSBHSGYJI-UONOGXRCSA-N 1 2 332.404 0.964 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)cn1 ZINC000997101594 743236419 /nfs/dbraw/zinc/23/64/19/743236419.db2.gz IXYXBJNRARUHOO-ZDUSSCGKSA-N 1 2 349.394 0.463 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CCN(C(=O)[C@H](C)C#N)[C@H]2C1 ZINC000975837802 743339412 /nfs/dbraw/zinc/33/94/12/743339412.db2.gz JRHSFMPVUDEXGN-ZLDLUXBVSA-N 1 2 329.404 0.870 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3n[nH]c(C)n3)[C@H]2C)C1=O ZINC001088560466 751829755 /nfs/dbraw/zinc/82/97/55/751829755.db2.gz RLCRFADWBWVHRT-XBFCOCLRSA-N 1 2 346.435 0.022 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3n[nH]c(C)n3)[C@H]2C)C1=O ZINC001088560466 751829766 /nfs/dbraw/zinc/82/97/66/751829766.db2.gz RLCRFADWBWVHRT-XBFCOCLRSA-N 1 2 346.435 0.022 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3csnn3)C2)nn1 ZINC001098695397 743549518 /nfs/dbraw/zinc/54/95/18/743549518.db2.gz VQDZKTRLDPDDGF-GFCCVEGCSA-N 1 2 331.405 0.330 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@H]32)c1 ZINC000976333028 743830503 /nfs/dbraw/zinc/83/05/03/743830503.db2.gz AZNFUHKTYAPHOC-VIKVFOODSA-N 1 2 338.371 0.360 20 30 ECEDLO Cn1[nH]c(C[N@H+](C)[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)nc1=O ZINC001027372389 744021576 /nfs/dbraw/zinc/02/15/76/744021576.db2.gz RMKVHJPIDIUPPB-LBPRGKRZSA-N 1 2 343.391 0.045 20 30 ECEDLO Cn1[nH]c(C[N@@H+](C)[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)nc1=O ZINC001027372389 744021581 /nfs/dbraw/zinc/02/15/81/744021581.db2.gz RMKVHJPIDIUPPB-LBPRGKRZSA-N 1 2 343.391 0.045 20 30 ECEDLO COCc1noc(C[NH2+][C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000998958408 744429740 /nfs/dbraw/zinc/42/97/40/744429740.db2.gz VLIUEXFLDBCDMZ-LBPRGKRZSA-N 1 2 344.375 0.810 20 30 ECEDLO CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)S(C)(=O)=O)C[C@@]2(C)C1 ZINC000982306631 751927470 /nfs/dbraw/zinc/92/74/70/751927470.db2.gz VXNCYCXHYARYQZ-CWRNSKLLSA-N 1 2 326.462 0.613 20 30 ECEDLO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)S(C)(=O)=O)C[C@@]2(C)C1 ZINC000982306631 751927476 /nfs/dbraw/zinc/92/74/76/751927476.db2.gz VXNCYCXHYARYQZ-CWRNSKLLSA-N 1 2 326.462 0.613 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000977216238 744795766 /nfs/dbraw/zinc/79/57/66/744795766.db2.gz YRFAKNBMAYSJDI-WSGDXGOYSA-N 1 2 330.388 0.116 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2C[N@@H+](Cc3cncn3C)CC2(C)C)nn1 ZINC000977253550 744817035 /nfs/dbraw/zinc/81/70/35/744817035.db2.gz RDCFELSHAWEZFE-HNNXBMFYSA-N 1 2 343.435 0.838 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2C[N@H+](Cc3cncn3C)CC2(C)C)nn1 ZINC000977253550 744817038 /nfs/dbraw/zinc/81/70/38/744817038.db2.gz RDCFELSHAWEZFE-HNNXBMFYSA-N 1 2 343.435 0.838 20 30 ECEDLO C=CC[N@@H+]1C[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C(C)(C)C1 ZINC000977363921 744905723 /nfs/dbraw/zinc/90/57/23/744905723.db2.gz NZRQOUQMWJTDLQ-LBPRGKRZSA-N 1 2 330.392 0.084 20 30 ECEDLO C=CC[N@H+]1C[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C(C)(C)C1 ZINC000977363921 744905726 /nfs/dbraw/zinc/90/57/26/744905726.db2.gz NZRQOUQMWJTDLQ-LBPRGKRZSA-N 1 2 330.392 0.084 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001027524884 745005318 /nfs/dbraw/zinc/00/53/18/745005318.db2.gz RRWKXIWVRKZTEU-NEPJUHHUSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001027524884 745005324 /nfs/dbraw/zinc/00/53/24/745005324.db2.gz RRWKXIWVRKZTEU-NEPJUHHUSA-N 1 2 344.253 0.954 20 30 ECEDLO CN(C[C@H]1CCN1C(=O)Cc1[nH]cc[nH+]1)C(=O)c1cc(C#N)c[nH]1 ZINC000977524065 745141865 /nfs/dbraw/zinc/14/18/65/745141865.db2.gz WWIMCKQEPFJOKR-GFCCVEGCSA-N 1 2 326.360 0.525 20 30 ECEDLO CN(C[C@@H]1CCN1C(=O)CCn1cc[nH+]c1)C(=O)c1cc(C#N)c[nH]1 ZINC000977526478 745145843 /nfs/dbraw/zinc/14/58/43/745145843.db2.gz GJPKVTILRGKJEH-AWEZNQCLSA-N 1 2 340.387 0.846 20 30 ECEDLO CN(C[C@@H]1CCN1C(=O)Cn1cc[nH+]c1)C(=O)c1cc(C#N)c[nH]1 ZINC000977531639 745152747 /nfs/dbraw/zinc/15/27/47/745152747.db2.gz SCVQKZXHLUQJRZ-ZDUSSCGKSA-N 1 2 326.360 0.456 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C(C)(C)C1 ZINC000977538376 745162108 /nfs/dbraw/zinc/16/21/08/745162108.db2.gz HUGPLZLQECACTO-LBPRGKRZSA-N 1 2 341.843 0.469 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C(C)(C)C1 ZINC000977538376 745162112 /nfs/dbraw/zinc/16/21/12/745162112.db2.gz HUGPLZLQECACTO-LBPRGKRZSA-N 1 2 341.843 0.469 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001000021440 745192411 /nfs/dbraw/zinc/19/24/11/745192411.db2.gz COUZABNNCVWELZ-CFVMTHIKSA-N 1 2 344.415 0.364 20 30 ECEDLO CN(C[C@@H]1CCN1C(=O)CCn1cc[nH+]c1)C(=O)c1c[nH]c(C#N)c1 ZINC000977579400 745204150 /nfs/dbraw/zinc/20/41/50/745204150.db2.gz AHNFQSAHRJDWSK-HNNXBMFYSA-N 1 2 340.387 0.846 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C(C)(C)C1 ZINC000977565661 745210022 /nfs/dbraw/zinc/21/00/22/745210022.db2.gz JTFFYGCWBCFXLW-LLVKDONJSA-N 1 2 342.827 0.460 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C(C)(C)C1 ZINC000977565661 745210028 /nfs/dbraw/zinc/21/00/28/745210028.db2.gz JTFFYGCWBCFXLW-LLVKDONJSA-N 1 2 342.827 0.460 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2[nH]cc[nH+]2)c1 ZINC001000169501 745308020 /nfs/dbraw/zinc/30/80/20/745308020.db2.gz VLDAEJLHUAWTIO-PMPSAXMXSA-N 1 2 349.394 0.890 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001027550906 745387236 /nfs/dbraw/zinc/38/72/36/745387236.db2.gz FEJMSMAGVDWHDX-MNOVXSKESA-N 1 2 345.241 0.499 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001027550906 745387240 /nfs/dbraw/zinc/38/72/40/745387240.db2.gz FEJMSMAGVDWHDX-MNOVXSKESA-N 1 2 345.241 0.499 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001029245676 745432077 /nfs/dbraw/zinc/43/20/77/745432077.db2.gz YUOFDFFXHWDPQK-TUVASFSCSA-N 1 2 339.461 0.646 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001029245676 745432078 /nfs/dbraw/zinc/43/20/78/745432078.db2.gz YUOFDFFXHWDPQK-TUVASFSCSA-N 1 2 339.461 0.646 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001075797153 745599420 /nfs/dbraw/zinc/59/94/20/745599420.db2.gz ULCLNTDRIPOVBU-WDEREUQCSA-N 1 2 341.213 0.114 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001075797153 745599424 /nfs/dbraw/zinc/59/94/24/745599424.db2.gz ULCLNTDRIPOVBU-WDEREUQCSA-N 1 2 341.213 0.114 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nncs4)C[C@H]32)[nH]1 ZINC000978039109 745814646 /nfs/dbraw/zinc/81/46/46/745814646.db2.gz MYMKVGDVEBNZOZ-CNDDSTCGSA-N 1 2 328.401 0.846 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nncs4)C[C@H]32)[nH]1 ZINC000978039109 745814651 /nfs/dbraw/zinc/81/46/51/745814651.db2.gz MYMKVGDVEBNZOZ-CNDDSTCGSA-N 1 2 328.401 0.846 20 30 ECEDLO N#Cc1cnccc1N[C@H]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001059336477 745998513 /nfs/dbraw/zinc/99/85/13/745998513.db2.gz OUAAXLNKDOYPOX-QEJZJMRPSA-N 1 2 336.399 0.893 20 30 ECEDLO N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001059339094 746020139 /nfs/dbraw/zinc/02/01/39/746020139.db2.gz PWAUVGVSWRIAEF-JHJVBQTASA-N 1 2 337.387 0.866 20 30 ECEDLO N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@H]3CCn4cc[nH+]c4C3)C2)cn1 ZINC001059339279 746021649 /nfs/dbraw/zinc/02/16/49/746021649.db2.gz TYQLTLWCOFRYLF-AVGNSLFASA-N 1 2 337.387 0.866 20 30 ECEDLO C[C@H](c1nnnn1C)[NH+]1CCC(CNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001001287128 746247351 /nfs/dbraw/zinc/24/73/51/746247351.db2.gz YNECNPNHFPUQMA-LLVKDONJSA-N 1 2 342.407 0.613 20 30 ECEDLO Cc1cnc([C@@H](C)[N@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)cn1 ZINC001083418070 746439393 /nfs/dbraw/zinc/43/93/93/746439393.db2.gz QCWXMLNQSPLHOD-LYRGGWFBSA-N 1 2 340.387 0.521 20 30 ECEDLO Cc1cnc([C@@H](C)[N@@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)cn1 ZINC001083418070 746439397 /nfs/dbraw/zinc/43/93/97/746439397.db2.gz QCWXMLNQSPLHOD-LYRGGWFBSA-N 1 2 340.387 0.521 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4nc(C)no4)C[C@H]32)c1 ZINC000978696854 746592575 /nfs/dbraw/zinc/59/25/75/746592575.db2.gz IDIPBJRQZDCFBB-PHZGNYQRSA-N 1 2 337.383 0.862 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4nc(C)no4)C[C@H]32)c1 ZINC000978696854 746592578 /nfs/dbraw/zinc/59/25/78/746592578.db2.gz IDIPBJRQZDCFBB-PHZGNYQRSA-N 1 2 337.383 0.862 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)Cc3cn(C)nn3)C2)cn1 ZINC001027656442 746598473 /nfs/dbraw/zinc/59/84/73/746598473.db2.gz PZCMSMFMBYUSTG-KRWDZBQOSA-N 1 2 338.415 0.928 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)Cc3cn(C)nn3)C2)cn1 ZINC001027656442 746598475 /nfs/dbraw/zinc/59/84/75/746598475.db2.gz PZCMSMFMBYUSTG-KRWDZBQOSA-N 1 2 338.415 0.928 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3cn(C)nn3)C2)cn1 ZINC001027656443 746598560 /nfs/dbraw/zinc/59/85/60/746598560.db2.gz PZCMSMFMBYUSTG-QGZVFWFLSA-N 1 2 338.415 0.928 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3cn(C)nn3)C2)cn1 ZINC001027656443 746598563 /nfs/dbraw/zinc/59/85/63/746598563.db2.gz PZCMSMFMBYUSTG-QGZVFWFLSA-N 1 2 338.415 0.928 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](CC(=O)Nc3cnccn3)CC[C@@H]2C1 ZINC001087911529 746646532 /nfs/dbraw/zinc/64/65/32/746646532.db2.gz YMEXPBMNMWIPMA-MJBXVCDLSA-N 1 2 342.403 0.355 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](CC(=O)Nc3cnccn3)CC[C@@H]2C1 ZINC001087911529 746646536 /nfs/dbraw/zinc/64/65/36/746646536.db2.gz YMEXPBMNMWIPMA-MJBXVCDLSA-N 1 2 342.403 0.355 20 30 ECEDLO C=CCCCC(=O)N1CC[C@@H](n2cc(C[NH2+][C@H](C)C(=O)NC)nn2)C1 ZINC001098710687 746712544 /nfs/dbraw/zinc/71/25/44/746712544.db2.gz JJXJLYTYTFOEBW-UKRRQHHQSA-N 1 2 348.451 0.632 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cc(C)ncn3)C2)C1=O ZINC001007141414 752118465 /nfs/dbraw/zinc/11/84/65/752118465.db2.gz VAIZXOFRJILLJA-GOEBONIOSA-N 1 2 343.431 0.766 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cc(C)ncn3)C2)C1=O ZINC001007141414 752118473 /nfs/dbraw/zinc/11/84/73/752118473.db2.gz VAIZXOFRJILLJA-GOEBONIOSA-N 1 2 343.431 0.766 20 30 ECEDLO CCn1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)nn1 ZINC001087961774 746746261 /nfs/dbraw/zinc/74/62/61/746746261.db2.gz JJZRHQUZPLIMKI-CVEARBPZSA-N 1 2 327.432 0.992 20 30 ECEDLO CCn1cc(C[N@H+]2CC[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]3C2)nn1 ZINC001087961774 746746263 /nfs/dbraw/zinc/74/62/63/746746263.db2.gz JJZRHQUZPLIMKI-CVEARBPZSA-N 1 2 327.432 0.992 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001002199237 747075358 /nfs/dbraw/zinc/07/53/58/747075358.db2.gz BEGMIZLCDXFURN-HOCLYGCPSA-N 1 2 332.404 0.439 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001002219986 747096483 /nfs/dbraw/zinc/09/64/83/747096483.db2.gz UNDMQRVKIZPPIS-CVEARBPZSA-N 1 2 346.431 0.829 20 30 ECEDLO C=CCCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H](C)C(=O)NC)nn1 ZINC001029507808 747201156 /nfs/dbraw/zinc/20/11/56/747201156.db2.gz COIUHZSYDLINGZ-MCIONIFRSA-N 1 2 346.435 0.278 20 30 ECEDLO C=CCCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)C(=O)NC)nn1 ZINC001029507808 747201160 /nfs/dbraw/zinc/20/11/60/747201160.db2.gz COIUHZSYDLINGZ-MCIONIFRSA-N 1 2 346.435 0.278 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H](C)C(=O)NC)cn1 ZINC001029558472 747497625 /nfs/dbraw/zinc/49/76/25/747497625.db2.gz HPCGBAWAMVGUFZ-WQVCFCJDSA-N 1 2 326.400 0.486 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)C(=O)NC)cn1 ZINC001029558472 747497627 /nfs/dbraw/zinc/49/76/27/747497627.db2.gz HPCGBAWAMVGUFZ-WQVCFCJDSA-N 1 2 326.400 0.486 20 30 ECEDLO Cc1noc(C[NH2+][C@H](C)[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)n1 ZINC000979291538 747524963 /nfs/dbraw/zinc/52/49/63/747524963.db2.gz KGQUFGVUEHVFOX-QMTHXVAHSA-N 1 2 344.375 0.597 20 30 ECEDLO N#Cc1cc(C(=O)N2CC[C@H](CCNC(=O)Cc3[nH]cc[nH+]3)C2)c[nH]1 ZINC001059505606 747578514 /nfs/dbraw/zinc/57/85/14/747578514.db2.gz SCQGXAFPUIGHKE-LBPRGKRZSA-N 1 2 340.387 0.821 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1)C(=O)c1cc(C#N)c[nH]1 ZINC001002647503 747614062 /nfs/dbraw/zinc/61/40/62/747614062.db2.gz GVAONBFROUWBFW-CQSZACIVSA-N 1 2 340.387 0.846 20 30 ECEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1COC(=O)N1 ZINC001007261000 752233204 /nfs/dbraw/zinc/23/32/04/752233204.db2.gz OXLURECBDMGHPE-HZPDHXFCSA-N 1 2 345.374 0.866 20 30 ECEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@H]1COC(=O)N1 ZINC001007261000 752233208 /nfs/dbraw/zinc/23/32/08/752233208.db2.gz OXLURECBDMGHPE-HZPDHXFCSA-N 1 2 345.374 0.866 20 30 ECEDLO COCc1noc(C[N@H+](C)C[C@@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC001029733144 748174836 /nfs/dbraw/zinc/17/48/36/748174836.db2.gz GLHOKLPHJPCVES-AWEZNQCLSA-N 1 2 332.404 0.910 20 30 ECEDLO COCc1noc(C[N@@H+](C)C[C@@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC001029733144 748174840 /nfs/dbraw/zinc/17/48/40/748174840.db2.gz GLHOKLPHJPCVES-AWEZNQCLSA-N 1 2 332.404 0.910 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001059554862 748312219 /nfs/dbraw/zinc/31/22/19/748312219.db2.gz JKCDWFJBYNLTES-GUYCJALGSA-N 1 2 334.420 0.634 20 30 ECEDLO C#CCOCCC(=O)NCC[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001059561280 748428949 /nfs/dbraw/zinc/42/89/49/748428949.db2.gz VPRPHBSFQRLITM-HNNXBMFYSA-N 1 2 346.431 0.737 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2ncccc2O)C1=O ZINC001027844478 748552383 /nfs/dbraw/zinc/55/23/83/748552383.db2.gz SJPUDXXDGAHBGV-KBPBESRZSA-N 1 2 344.415 0.768 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2ncccc2O)C1=O ZINC001027844478 748552388 /nfs/dbraw/zinc/55/23/88/748552388.db2.gz SJPUDXXDGAHBGV-KBPBESRZSA-N 1 2 344.415 0.768 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2nnnn2C)CC1 ZINC000985659552 748828311 /nfs/dbraw/zinc/82/83/11/748828311.db2.gz ZSJHMPVHVPTSNW-KGLIPLIRSA-N 1 2 334.424 0.224 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2nnnn2C)CC1 ZINC000985659552 748828318 /nfs/dbraw/zinc/82/83/18/748828318.db2.gz ZSJHMPVHVPTSNW-KGLIPLIRSA-N 1 2 334.424 0.224 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001059646557 749101779 /nfs/dbraw/zinc/10/17/79/749101779.db2.gz TWZZYJTURHFOQJ-KGLIPLIRSA-N 1 2 332.404 0.345 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3cnco3)CC2)CC1 ZINC000985829462 749194949 /nfs/dbraw/zinc/19/49/49/749194949.db2.gz JZTIAMRJNXDEIJ-UHFFFAOYSA-N 1 2 333.392 0.356 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001004525398 749596934 /nfs/dbraw/zinc/59/69/34/749596934.db2.gz QPJQTAONVGVUQI-KQTLUZQSSA-N 1 2 344.415 0.679 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001004525398 749596939 /nfs/dbraw/zinc/59/69/39/749596939.db2.gz QPJQTAONVGVUQI-KQTLUZQSSA-N 1 2 344.415 0.679 20 30 ECEDLO C[C@H]([NH2+]Cc1nnn(C)n1)[C@H]1CCCCN1C(=O)c1cc(C#N)c[nH]1 ZINC001004799503 749881859 /nfs/dbraw/zinc/88/18/59/749881859.db2.gz KCEBUUSPKLJBPV-SMDDNHRTSA-N 1 2 342.407 0.583 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)[C@H]1C ZINC001088494304 749974116 /nfs/dbraw/zinc/97/41/16/749974116.db2.gz UZBCNEFRQCGMRB-OUAUKWLOSA-N 1 2 330.226 0.753 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)[C@H]1C ZINC001088494304 749974119 /nfs/dbraw/zinc/97/41/19/749974119.db2.gz UZBCNEFRQCGMRB-OUAUKWLOSA-N 1 2 330.226 0.753 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001028073721 750508840 /nfs/dbraw/zinc/50/88/40/750508840.db2.gz WZRQRPTZKAWYJY-HZPDHXFCSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001028073721 750508846 /nfs/dbraw/zinc/50/88/46/750508846.db2.gz WZRQRPTZKAWYJY-HZPDHXFCSA-N 1 2 344.390 0.914 20 30 ECEDLO Cn1nnc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2C#N)n1 ZINC001028078836 750547261 /nfs/dbraw/zinc/54/72/61/750547261.db2.gz SXBBQIZYSNDKBT-AWEZNQCLSA-N 1 2 325.376 0.476 20 30 ECEDLO Cn1nnc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2C#N)n1 ZINC001028078836 750547264 /nfs/dbraw/zinc/54/72/64/750547264.db2.gz SXBBQIZYSNDKBT-AWEZNQCLSA-N 1 2 325.376 0.476 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nc(C)no3)[C@@H]2C)nn1 ZINC000987168069 750561865 /nfs/dbraw/zinc/56/18/65/750561865.db2.gz LHRPYSTZGVGIKV-AAEUAGOBSA-N 1 2 345.407 0.938 20 30 ECEDLO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001005862864 750742447 /nfs/dbraw/zinc/74/24/47/750742447.db2.gz OOLXBLRVSAYERI-JTQLQIEISA-N 1 2 326.360 0.429 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3cncn3C)CC2)C1=O ZINC000981561309 750807380 /nfs/dbraw/zinc/80/73/80/750807380.db2.gz ITCDEKXDXMXELT-CQSZACIVSA-N 1 2 331.420 0.355 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3cncn3C)CC2)C1=O ZINC000981561309 750807388 /nfs/dbraw/zinc/80/73/88/750807388.db2.gz ITCDEKXDXMXELT-CQSZACIVSA-N 1 2 331.420 0.355 20 30 ECEDLO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001005939583 750822352 /nfs/dbraw/zinc/82/23/52/750822352.db2.gz OVUIJHDHYVQLTI-LLVKDONJSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001005939583 750822358 /nfs/dbraw/zinc/82/23/58/750822358.db2.gz OVUIJHDHYVQLTI-LLVKDONJSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CCn1cc[nH+]c1 ZINC000987547306 750959313 /nfs/dbraw/zinc/95/93/13/750959313.db2.gz JFRMUCBBOIXNEL-OCCSQVGLSA-N 1 2 340.387 0.892 20 30 ECEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)[C@H]3CNC(=O)N3)CC2)ccc1F ZINC000981850393 751189348 /nfs/dbraw/zinc/18/93/48/751189348.db2.gz GPRGETHGOXKXMB-OAHLLOKOSA-N 1 2 345.378 0.413 20 30 ECEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)[C@H]3CNC(=O)N3)CC2)ccc1F ZINC000981850393 751189349 /nfs/dbraw/zinc/18/93/49/751189349.db2.gz GPRGETHGOXKXMB-OAHLLOKOSA-N 1 2 345.378 0.413 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC001007360388 752327369 /nfs/dbraw/zinc/32/73/69/752327369.db2.gz QOSILLDAZGGHIX-XHSDSOJGSA-N 1 2 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ZINC001212038992 752432438 /nfs/dbraw/zinc/43/24/38/752432438.db2.gz CHYRHGGHXIZIDI-RBSFLKMASA-N 1 2 336.436 0.386 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H](C)C#N)[C@H](OC)C1 ZINC001212038992 752432442 /nfs/dbraw/zinc/43/24/42/752432442.db2.gz CHYRHGGHXIZIDI-RBSFLKMASA-N 1 2 336.436 0.386 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)COCCCC)C2)nn1 ZINC001098644794 752627091 /nfs/dbraw/zinc/62/70/91/752627091.db2.gz FJGZMILLDHINMA-INIZCTEOSA-N 1 2 333.436 0.981 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CCN1C(=O)C#CC1CC1 ZINC000988727557 752627189 /nfs/dbraw/zinc/62/71/89/752627189.db2.gz OFSRGRDXNDDWHE-KBMXLJTQSA-N 1 2 340.427 0.965 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C(C)=C2CCCC2)[C@H](OC)C1 ZINC001212098405 752721412 /nfs/dbraw/zinc/72/14/12/752721412.db2.gz ILVBUPHPOIIXJY-USXIJHARSA-N 1 2 347.459 0.830 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)=C2CCCC2)[C@H](OC)C1 ZINC001212098405 752721420 /nfs/dbraw/zinc/72/14/20/752721420.db2.gz ILVBUPHPOIIXJY-USXIJHARSA-N 1 2 347.459 0.830 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)/C=C\c2ccco2)[C@H](OC)C1 ZINC001211788821 752750770 /nfs/dbraw/zinc/75/07/70/752750770.db2.gz ZXMLHVBZYFQPLF-GORQFHSWSA-N 1 2 347.415 0.799 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)/C=C\c2ccco2)[C@H](OC)C1 ZINC001211788821 752750773 /nfs/dbraw/zinc/75/07/73/752750773.db2.gz ZXMLHVBZYFQPLF-GORQFHSWSA-N 1 2 347.415 0.799 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cccc(C)c2)[C@H](OC)C1 ZINC001211795590 752768991 /nfs/dbraw/zinc/76/89/91/752768991.db2.gz VHJIONXZCKXDGQ-DJIMGWMZSA-N 1 2 343.427 0.562 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccc(C)c2)[C@H](OC)C1 ZINC001211795590 752768994 /nfs/dbraw/zinc/76/89/94/752768994.db2.gz VHJIONXZCKXDGQ-DJIMGWMZSA-N 1 2 343.427 0.562 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)C#N)CCO2 ZINC001007691420 752799291 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N#Cc1cc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CCOC3)[C@@H](O)C2)ccc1F ZINC001083360985 753681588 /nfs/dbraw/zinc/68/15/88/753681588.db2.gz CBOOGHRBUBJWDC-WQVCFCJDSA-N 1 2 333.363 0.395 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3CCCOC3)[C@@H](O)C2)s1 ZINC001083367816 753698456 /nfs/dbraw/zinc/69/84/56/753698456.db2.gz UARFWVLTWWOOES-GLQYFDAESA-N 1 2 335.429 0.708 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3CCCOC3)[C@@H](O)C2)s1 ZINC001083367816 753698460 /nfs/dbraw/zinc/69/84/60/753698460.db2.gz UARFWVLTWWOOES-GLQYFDAESA-N 1 2 335.429 0.708 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC[C@H]3CCOC3)C2)nn1 ZINC001098649902 753714179 /nfs/dbraw/zinc/71/41/79/753714179.db2.gz WIOIAURPDYNVED-DOTOQJQBSA-N 1 2 345.447 0.981 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001059971519 753718961 /nfs/dbraw/zinc/71/89/61/753718961.db2.gz CFPPQXFHSPMWRO-CABCVRRESA-N 1 2 346.431 0.356 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)Cc3cc[nH]n3)[C@@H](O)C2)s1 ZINC001083381420 753743091 /nfs/dbraw/zinc/74/30/91/753743091.db2.gz IXVMQXHXQJCGAW-KGLIPLIRSA-N 1 2 331.401 0.247 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)Cc3cc[nH]n3)[C@@H](O)C2)s1 ZINC001083381420 753743092 /nfs/dbraw/zinc/74/30/92/753743092.db2.gz IXVMQXHXQJCGAW-KGLIPLIRSA-N 1 2 331.401 0.247 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ncc(F)cc3F)C2)nn1 ZINC001098685978 753801754 /nfs/dbraw/zinc/80/17/54/753801754.db2.gz WDFLGLPGUADXEM-CYBMUJFWSA-N 1 2 346.341 0.761 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001014100972 762248753 /nfs/dbraw/zinc/24/87/53/762248753.db2.gz SHWCLVKZAXUEFW-ZWNOBZJWSA-N 1 2 326.360 0.571 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC001008621045 753964994 /nfs/dbraw/zinc/96/49/94/753964994.db2.gz RROXDYRLHZMYDZ-ILXRZTDVSA-N 1 2 346.431 0.897 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3nc(C)no3)C[C@H]2C)nn1 ZINC000989536556 754079922 /nfs/dbraw/zinc/07/99/22/754079922.db2.gz NQZQLZGLALCFLU-PWSUYJOCSA-N 1 2 331.380 0.548 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)[nH]1 ZINC000982893409 754112454 /nfs/dbraw/zinc/11/24/54/754112454.db2.gz LCDYTXWITMRUNK-LBPRGKRZSA-N 1 2 340.387 0.821 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)[nH]1 ZINC000982893409 754112462 /nfs/dbraw/zinc/11/24/62/754112462.db2.gz LCDYTXWITMRUNK-LBPRGKRZSA-N 1 2 340.387 0.821 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NC)C2)cc1 ZINC001008793476 754124577 /nfs/dbraw/zinc/12/45/77/754124577.db2.gz UHZQZNSUKDIZOS-OAHLLOKOSA-N 1 2 329.400 0.639 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC)C2)cc1 ZINC001008793476 754124579 /nfs/dbraw/zinc/12/45/79/754124579.db2.gz UHZQZNSUKDIZOS-OAHLLOKOSA-N 1 2 329.400 0.639 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 ZINC000989628011 754215688 /nfs/dbraw/zinc/21/56/88/754215688.db2.gz PCDYAZQZFSFMMT-NSHDSACASA-N 1 2 328.800 0.261 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 ZINC000989628011 754215691 /nfs/dbraw/zinc/21/56/91/754215691.db2.gz PCDYAZQZFSFMMT-NSHDSACASA-N 1 2 328.800 0.261 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3ccncn3)C2)C1=O ZINC001008922364 754314188 /nfs/dbraw/zinc/31/41/88/754314188.db2.gz HQJBDLXZRWWYOI-HIFRSBDPSA-N 1 2 329.404 0.458 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3ccncn3)C2)C1=O ZINC001008922364 754314194 /nfs/dbraw/zinc/31/41/94/754314194.db2.gz HQJBDLXZRWWYOI-HIFRSBDPSA-N 1 2 329.404 0.458 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3oncc3C)C2)C1=O ZINC001009077325 754514358 /nfs/dbraw/zinc/51/43/58/754514358.db2.gz XABNGDDYPWNGBQ-KBPBESRZSA-N 1 2 332.404 0.964 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3oncc3C)C2)C1=O ZINC001009077325 754514362 /nfs/dbraw/zinc/51/43/62/754514362.db2.gz XABNGDDYPWNGBQ-KBPBESRZSA-N 1 2 332.404 0.964 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3nocc3C)C2)C1=O ZINC001009104941 754541424 /nfs/dbraw/zinc/54/14/24/754541424.db2.gz AYPIYCZRQZPTHR-UONOGXRCSA-N 1 2 332.404 0.964 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3nocc3C)C2)C1=O ZINC001009104941 754541427 /nfs/dbraw/zinc/54/14/27/754541427.db2.gz AYPIYCZRQZPTHR-UONOGXRCSA-N 1 2 332.404 0.964 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)cn1 ZINC001009278109 754736875 /nfs/dbraw/zinc/73/68/75/754736875.db2.gz SVBGRSHUEXNSOT-LSDHHAIUSA-N 1 2 340.383 0.062 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)cn1 ZINC001009278109 754736879 /nfs/dbraw/zinc/73/68/79/754736879.db2.gz SVBGRSHUEXNSOT-LSDHHAIUSA-N 1 2 340.383 0.062 20 30 ECEDLO CCc1noc(C[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)n1 ZINC001051563415 762347141 /nfs/dbraw/zinc/34/71/41/762347141.db2.gz RWAVLJHRUVKRDP-CYBMUJFWSA-N 1 2 344.375 0.463 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3c(C)noc3C)C2)C1=O ZINC001010128165 755690175 /nfs/dbraw/zinc/69/01/75/755690175.db2.gz AWHITIBIMQXRFW-KBPBESRZSA-N 1 2 332.404 0.882 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3c(C)noc3C)C2)C1=O ZINC001010128165 755690179 /nfs/dbraw/zinc/69/01/79/755690179.db2.gz AWHITIBIMQXRFW-KBPBESRZSA-N 1 2 332.404 0.882 20 30 ECEDLO C[C@@H]1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001010281632 755935522 /nfs/dbraw/zinc/93/55/22/755935522.db2.gz VOTQTCQCHKJKLZ-NEPJUHHUSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H]1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001010326567 756002664 /nfs/dbraw/zinc/00/26/64/756002664.db2.gz BITSHTUFKYZEQI-AAEUAGOBSA-N 1 2 340.387 0.819 20 30 ECEDLO CN(CCCN(C)c1ccc(C#N)nn1)C(=O)CCc1c[nH+]cn1C ZINC001112109936 762436588 /nfs/dbraw/zinc/43/65/88/762436588.db2.gz QJKGHAPSBIOAPW-UHFFFAOYSA-N 1 2 341.419 0.999 20 30 ECEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(Cc3cc(C#N)ccc3F)C2)C1 ZINC001010427591 756124286 /nfs/dbraw/zinc/12/42/86/756124286.db2.gz LZUBPGRALBCYKO-DOTOQJQBSA-N 1 2 346.406 0.718 20 30 ECEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(Cc3cc(C#N)ccc3F)C2)C1 ZINC001010427591 756124290 /nfs/dbraw/zinc/12/42/90/756124290.db2.gz LZUBPGRALBCYKO-DOTOQJQBSA-N 1 2 346.406 0.718 20 30 ECEDLO C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001010634213 756330891 /nfs/dbraw/zinc/33/08/91/756330891.db2.gz AOFAPNTZMUOQRL-UKRRQHHQSA-N 1 2 343.431 0.949 20 30 ECEDLO C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001010634213 756330895 /nfs/dbraw/zinc/33/08/95/756330895.db2.gz AOFAPNTZMUOQRL-UKRRQHHQSA-N 1 2 343.431 0.949 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001076301629 756332700 /nfs/dbraw/zinc/33/27/00/756332700.db2.gz FDPGVYKMAFRXCC-SCLBCKFNSA-N 1 2 349.431 0.971 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCC2(CN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001010776677 756508023 /nfs/dbraw/zinc/50/80/23/756508023.db2.gz YZSRUCNQPFIPPF-AWEZNQCLSA-N 1 2 343.431 0.963 20 30 ECEDLO C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001076506426 756577162 /nfs/dbraw/zinc/57/71/62/756577162.db2.gz WGZNAVSNFQRXFG-GJZGRUSLSA-N 1 2 346.431 0.496 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCCN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001010829807 756577438 /nfs/dbraw/zinc/57/74/38/756577438.db2.gz JSNJGHRMIMSFPI-CQSZACIVSA-N 1 2 343.431 0.963 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001011019714 756773400 /nfs/dbraw/zinc/77/34/00/756773400.db2.gz ICUJYGVTMNKLEQ-UHFFFAOYSA-N 1 2 326.360 0.445 20 30 ECEDLO O=C(C#CC1CC1)N1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001011110296 756940386 /nfs/dbraw/zinc/94/03/86/756940386.db2.gz TWQNWSKBFCIRMW-CQSZACIVSA-N 1 2 326.400 0.914 20 30 ECEDLO N#Cc1nccnc1N1CC=C(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001127727419 756952911 /nfs/dbraw/zinc/95/29/11/756952911.db2.gz SUUYWVPCGBCWNR-UHFFFAOYSA-N 1 2 337.387 0.888 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CNC(=O)CCC)nn2)C1 ZINC001107140336 756959691 /nfs/dbraw/zinc/95/96/91/756959691.db2.gz ABJTUJUGLJUYJV-UHFFFAOYSA-N 1 2 334.424 0.243 20 30 ECEDLO C=CCn1cc(C(=O)N2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)nn1 ZINC001011155018 757047963 /nfs/dbraw/zinc/04/79/63/757047963.db2.gz WFASXZLSBPJATB-UHFFFAOYSA-N 1 2 343.391 0.023 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nnnn3C)C[C@@H]2C1 ZINC001048826567 757122230 /nfs/dbraw/zinc/12/22/30/757122230.db2.gz HWDLLPPWJYLQPP-BARDWOONSA-N 1 2 346.435 0.082 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nnnn3C)C[C@@H]2C1 ZINC001048826567 757122236 /nfs/dbraw/zinc/12/22/36/757122236.db2.gz HWDLLPPWJYLQPP-BARDWOONSA-N 1 2 346.435 0.082 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](OCC)C(C)C)nn2)C1 ZINC001107171443 757218574 /nfs/dbraw/zinc/21/85/74/757218574.db2.gz ZDKGXIKZYXRSBQ-MRXNPFEDSA-N 1 2 333.436 0.835 20 30 ECEDLO O=C(C#CC1CC1)NCc1cn(C2C[NH+](C[C@H]3CCCCO3)C2)nn1 ZINC001107171448 757218998 /nfs/dbraw/zinc/21/89/98/757218998.db2.gz ZIDGQNKQVMNNGE-QGZVFWFLSA-N 1 2 343.431 0.734 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnnn1C ZINC001021381121 757371611 /nfs/dbraw/zinc/37/16/11/757371611.db2.gz BEQLAIDFECCYFC-ZKXZWOTCSA-N 1 2 346.435 0.413 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnnn1C ZINC001021381121 757371619 /nfs/dbraw/zinc/37/16/19/757371619.db2.gz BEQLAIDFECCYFC-ZKXZWOTCSA-N 1 2 346.435 0.413 20 30 ECEDLO Cc1cnc([C@@H](C)[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)cn1 ZINC001076855809 757397259 /nfs/dbraw/zinc/39/72/59/757397259.db2.gz OGOKLBMTVYEBTR-HFBAOOFYSA-N 1 2 340.387 0.521 20 30 ECEDLO Cc1cnc([C@@H](C)[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)cn1 ZINC001076855809 757397269 /nfs/dbraw/zinc/39/72/69/757397269.db2.gz OGOKLBMTVYEBTR-HFBAOOFYSA-N 1 2 340.387 0.521 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C[C@@H]3CC(C)(C)CO3)nn2)C1 ZINC001107184690 757416799 /nfs/dbraw/zinc/41/67/99/757416799.db2.gz RLCRSTNAGNPRJY-MRXNPFEDSA-N 1 2 345.447 0.980 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C3(CF)CCOCC3)nn2)C1 ZINC001107210701 757692918 /nfs/dbraw/zinc/69/29/18/757692918.db2.gz DHLYTQBPGNVYBZ-UHFFFAOYSA-N 1 2 349.410 0.541 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H](C)[C@H]3CCC(=O)N3)nn2)C1 ZINC001107212139 757743229 /nfs/dbraw/zinc/74/32/29/757743229.db2.gz PJYXMIHTOADPFP-IUODEOHRSA-N 1 2 346.435 0.242 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCc3cn[nH]c3)nn2)C1 ZINC001107219292 757835326 /nfs/dbraw/zinc/83/53/26/757835326.db2.gz PBWRKRNXKPRCHT-UHFFFAOYSA-N 1 2 327.392 0.130 20 30 ECEDLO C[C@@H](CCNC(=O)CCc1c[nH]c[nH+]1)NC(=O)c1cc(C#N)c[nH]1 ZINC001077014668 757924448 /nfs/dbraw/zinc/92/44/48/757924448.db2.gz ISMYRSDTWHVZMG-NSHDSACASA-N 1 2 328.376 0.867 20 30 ECEDLO C[C@@H](CCNC(=O)CCc1c[nH+]c[nH]1)NC(=O)c1cc(C#N)c[nH]1 ZINC001077014668 757924455 /nfs/dbraw/zinc/92/44/55/757924455.db2.gz ISMYRSDTWHVZMG-NSHDSACASA-N 1 2 328.376 0.867 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C[C@H](C)[C@@H]3CCCO3)nn2)C1 ZINC001107232161 757950359 /nfs/dbraw/zinc/95/03/59/757950359.db2.gz VKOOYJXGEJSVFF-YOEHRIQHSA-N 1 2 345.447 0.980 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H](NC(C)=O)C(C)C)nn2)C1 ZINC001107232252 757951156 /nfs/dbraw/zinc/95/11/56/757951156.db2.gz YISILERCSICAEH-MRXNPFEDSA-N 1 2 348.451 0.488 20 30 ECEDLO C=C(Cl)CN1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001077032818 758007205 /nfs/dbraw/zinc/00/72/05/758007205.db2.gz BUIWKYRULPBEMD-ZIAGYGMSSA-N 1 2 338.839 0.676 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)Cc3c(C)n[nH]c3C)nn2)C1 ZINC001107234585 758016815 /nfs/dbraw/zinc/01/68/15/758016815.db2.gz KYNFUIYQIFMUBQ-UHFFFAOYSA-N 1 2 341.419 0.357 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)N3CCCCC3=O)nn2)C1 ZINC001107238945 758036242 /nfs/dbraw/zinc/03/62/42/758036242.db2.gz YJNGGWDCSGAWHD-CYBMUJFWSA-N 1 2 346.435 0.338 20 30 ECEDLO C=CCn1cccc1C(=O)N1CCO[C@H](C[NH2+]Cc2nnc(C)o2)C1 ZINC001051654207 762601508 /nfs/dbraw/zinc/60/15/08/762601508.db2.gz JEDUUCXOPVUQJI-CQSZACIVSA-N 1 2 345.403 0.996 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001077144211 758334680 /nfs/dbraw/zinc/33/46/80/758334680.db2.gz WSBCXTFLNAIAFQ-AWEZNQCLSA-N 1 2 348.447 0.978 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cc(C)ns2)C[C@H]1O ZINC001077159082 758375598 /nfs/dbraw/zinc/37/55/98/758375598.db2.gz NJRXPGHYCUTACR-OWCLPIDISA-N 1 2 348.472 0.210 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cc(C)ns2)C[C@H]1O ZINC001077159082 758375604 /nfs/dbraw/zinc/37/56/04/758375604.db2.gz NJRXPGHYCUTACR-OWCLPIDISA-N 1 2 348.472 0.210 20 30 ECEDLO N#Cc1cnc(NC/C=C/CNC(=O)[C@H]2CCn3c[nH+]cc3C2)cn1 ZINC001107390434 758417979 /nfs/dbraw/zinc/41/79/79/758417979.db2.gz VCTQRXKQODTZIP-AORQRIRUSA-N 1 2 337.387 0.892 20 30 ECEDLO N#Cc1cncc(NC/C=C\CNC(=O)[C@H]2CCn3cc[nH+]c3C2)n1 ZINC001107394808 758452297 /nfs/dbraw/zinc/45/22/97/758452297.db2.gz PPYWLEFLLBNWAV-FYDYADQUSA-N 1 2 337.387 0.892 20 30 ECEDLO Cn1nnnc1C[N@@H+]1CC[C@@]2(CNC(=O)C#CC3CC3)CCC[C@@H]12 ZINC001107398345 758465497 /nfs/dbraw/zinc/46/54/97/758465497.db2.gz PKUMZJCUXBEPLS-RHSMWYFYSA-N 1 2 328.420 0.484 20 30 ECEDLO Cn1nnnc1C[N@H+]1CC[C@@]2(CNC(=O)C#CC3CC3)CCC[C@@H]12 ZINC001107398345 758465504 /nfs/dbraw/zinc/46/55/04/758465504.db2.gz PKUMZJCUXBEPLS-RHSMWYFYSA-N 1 2 328.420 0.484 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N(C)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001049276996 758469059 /nfs/dbraw/zinc/46/90/59/758469059.db2.gz ZGWCAKQSKQTHOO-QEJZJMRPSA-N 1 2 334.420 0.585 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)nc1 ZINC001022294798 758532264 /nfs/dbraw/zinc/53/22/64/758532264.db2.gz XCVMABCIFZCCLI-WMLDXEAASA-N 1 2 349.394 0.702 20 30 ECEDLO C=CCCCC(=O)N(C)[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1O ZINC001049356408 758561837 /nfs/dbraw/zinc/56/18/37/758561837.db2.gz WWHRPOYWCWKEQT-GJZGRUSLSA-N 1 2 334.420 0.647 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3[nH]c(C)cc3C)C2)C1=O ZINC001077239712 758574951 /nfs/dbraw/zinc/57/49/51/758574951.db2.gz NCDPKSJFVOWJNQ-RBSFLKMASA-N 1 2 346.431 0.193 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3[nH]c(C)cc3C)C2)C1=O ZINC001077239712 758574955 /nfs/dbraw/zinc/57/49/55/758574955.db2.gz NCDPKSJFVOWJNQ-RBSFLKMASA-N 1 2 346.431 0.193 20 30 ECEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H](CC)C(N)=O)C[C@H]2O)cc1 ZINC001077246318 758598694 /nfs/dbraw/zinc/59/86/94/758598694.db2.gz VYFXSUQSBYHTOA-OWCLPIDISA-N 1 2 347.415 0.290 20 30 ECEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]2O)cc1 ZINC001077246318 758598705 /nfs/dbraw/zinc/59/87/05/758598705.db2.gz VYFXSUQSBYHTOA-OWCLPIDISA-N 1 2 347.415 0.290 20 30 ECEDLO Cc1nc(N2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@H](O)C2)cc[nH+]1 ZINC001051669475 762647048 /nfs/dbraw/zinc/64/70/48/762647048.db2.gz OIMUOOHHQXMWSZ-TZMCWYRMSA-N 1 2 326.360 0.354 20 30 ECEDLO N#Cc1nccnc1N1CC=C(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001127781890 758699577 /nfs/dbraw/zinc/69/95/77/758699577.db2.gz FYXCWRKEZAMXNI-UHFFFAOYSA-N 1 2 337.387 0.957 20 30 ECEDLO N#Cc1nccnc1N1CC=C(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001127781890 758699579 /nfs/dbraw/zinc/69/95/79/758699579.db2.gz FYXCWRKEZAMXNI-UHFFFAOYSA-N 1 2 337.387 0.957 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N(C)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1O ZINC001049449240 758721562 /nfs/dbraw/zinc/72/15/62/758721562.db2.gz CINLTSLEMMFUEB-RLFYNMQTSA-N 1 2 348.447 0.595 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001011857685 758783097 /nfs/dbraw/zinc/78/30/97/758783097.db2.gz VCQQVOCOYBYXGL-SMDDNHRTSA-N 1 2 326.360 0.502 20 30 ECEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC001077373559 758930546 /nfs/dbraw/zinc/93/05/46/758930546.db2.gz BQBPXUMZOWODSM-MKSNKDDYSA-N 1 2 326.396 0.521 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC001077373559 758930553 /nfs/dbraw/zinc/93/05/53/758930553.db2.gz BQBPXUMZOWODSM-MKSNKDDYSA-N 1 2 326.396 0.521 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H]2C)nc1 ZINC001011935562 758996427 /nfs/dbraw/zinc/99/64/27/758996427.db2.gz FKRLWLRTBUQFBZ-JSGCOSHPSA-N 1 2 337.383 0.748 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1nncn1C ZINC001049734409 759147000 /nfs/dbraw/zinc/14/70/00/759147000.db2.gz DWJDJMVGKWMHTH-FPCVCCKLSA-N 1 2 345.447 0.972 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1nncn1C ZINC001049734409 759147007 /nfs/dbraw/zinc/14/70/07/759147007.db2.gz DWJDJMVGKWMHTH-FPCVCCKLSA-N 1 2 345.447 0.972 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC001049770511 759185231 /nfs/dbraw/zinc/18/52/31/759185231.db2.gz VGUNIZPWRPGMMW-OWCLPIDISA-N 1 2 338.473 0.900 20 30 ECEDLO CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC001049770511 759185235 /nfs/dbraw/zinc/18/52/35/759185235.db2.gz VGUNIZPWRPGMMW-OWCLPIDISA-N 1 2 338.473 0.900 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C)nn1 ZINC001012012656 759202929 /nfs/dbraw/zinc/20/29/29/759202929.db2.gz OYSCNTSKVLILRU-RYUDHWBXSA-N 1 2 343.391 0.149 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H]2C)c1 ZINC001012053486 759298069 /nfs/dbraw/zinc/29/80/69/759298069.db2.gz XZIGPZUXFMYARQ-XJKSGUPXSA-N 1 2 337.383 0.679 20 30 ECEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001032188126 759408070 /nfs/dbraw/zinc/40/80/70/759408070.db2.gz PYIJCYBNGCTGAL-UHFFFAOYSA-N 1 2 337.383 0.847 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C)nc1 ZINC001012102717 759413774 /nfs/dbraw/zinc/41/37/74/759413774.db2.gz RINCREJGXVSWGC-WFASDCNBSA-N 1 2 337.383 0.748 20 30 ECEDLO N#Cc1nccc(N[C@@H]2CCCCCN(C(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001049932076 759421826 /nfs/dbraw/zinc/42/18/26/759421826.db2.gz LECWRICZQZLSDH-CYBMUJFWSA-N 1 2 339.403 0.919 20 30 ECEDLO C#CC[N@H+]1C[C@@H]2CCCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)[C@@H]2C1 ZINC001050076247 759662267 /nfs/dbraw/zinc/66/22/67/759662267.db2.gz WRNRHQCJMRFQLU-DZGCQCFKSA-N 1 2 336.457 0.367 20 30 ECEDLO C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)[C@@H]2C1 ZINC001050076247 759662270 /nfs/dbraw/zinc/66/22/70/759662270.db2.gz WRNRHQCJMRFQLU-DZGCQCFKSA-N 1 2 336.457 0.367 20 30 ECEDLO C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001050097559 759695792 /nfs/dbraw/zinc/69/57/92/759695792.db2.gz JFDKHTAQPOJOIU-CHWSQXEVSA-N 1 2 349.460 0.573 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001012538340 760227458 /nfs/dbraw/zinc/22/74/58/760227458.db2.gz FHVMJTAIYBOLRD-DGCLKSJQSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[NH+](Cc1ncnn1CCF)CC2 ZINC001050463341 760307863 /nfs/dbraw/zinc/30/78/63/760307863.db2.gz OZQTUTGVFOWILW-CYBMUJFWSA-N 1 2 334.399 0.832 20 30 ECEDLO C[C@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001050490926 760353515 /nfs/dbraw/zinc/35/35/15/760353515.db2.gz MOTBCOGGHZCFRV-QWHCGFSZSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000945479208 760363771 /nfs/dbraw/zinc/36/37/71/760363771.db2.gz ZYYARJNVLPIPGR-RISCZKNCSA-N 1 2 340.387 0.819 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)C(C)(C)F)nn2)C1 ZINC001107118532 760446194 /nfs/dbraw/zinc/44/61/94/760446194.db2.gz YFWIXKMKLSCVAH-UHFFFAOYSA-N 1 2 325.388 0.702 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C(F)F)CC2(CCOCC2)C1 ZINC001099557604 760456018 /nfs/dbraw/zinc/45/60/18/760456018.db2.gz ISGQQOKRUKVZNE-LBPRGKRZSA-N 1 2 345.390 0.541 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C(F)F)CC2(CCOCC2)C1 ZINC001099557604 760456027 /nfs/dbraw/zinc/45/60/27/760456027.db2.gz ISGQQOKRUKVZNE-LBPRGKRZSA-N 1 2 345.390 0.541 20 30 ECEDLO C=CCOCC(=O)N[C@H](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001050571781 760512851 /nfs/dbraw/zinc/51/28/51/760512851.db2.gz GMNKUMIOFIABIR-KGLIPLIRSA-N 1 2 334.420 0.898 20 30 ECEDLO N#CCN1CCC2(CN(C(=O)[C@H]3COCC[N@@H+]3CC3CCC3)C2)CC1 ZINC001050604291 760558824 /nfs/dbraw/zinc/55/88/24/760558824.db2.gz MPIBNFNCXMKKKT-QGZVFWFLSA-N 1 2 346.475 0.935 20 30 ECEDLO N#CCN1CCC2(CN(C(=O)[C@H]3COCC[N@H+]3CC3CCC3)C2)CC1 ZINC001050604291 760558836 /nfs/dbraw/zinc/55/88/36/760558836.db2.gz MPIBNFNCXMKKKT-QGZVFWFLSA-N 1 2 346.475 0.935 20 30 ECEDLO CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC2(C1)CCN(CC#N)CC2 ZINC001050604029 760558913 /nfs/dbraw/zinc/55/89/13/760558913.db2.gz KJSMVKTUZJCRRL-INIZCTEOSA-N 1 2 334.464 0.935 20 30 ECEDLO CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC2(C1)CCN(CC#N)CC2 ZINC001050604029 760558919 /nfs/dbraw/zinc/55/89/19/760558919.db2.gz KJSMVKTUZJCRRL-INIZCTEOSA-N 1 2 334.464 0.935 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[NH+](Cc1ncnn1C)CC2 ZINC001050670258 760650346 /nfs/dbraw/zinc/65/03/46/760650346.db2.gz GTMGHHQZHPLTSM-CABCVRRESA-N 1 2 345.447 0.831 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[C@H](C)N(C(=O)Cn3cc[nH+]c3)C2)c1 ZINC001013050036 761011861 /nfs/dbraw/zinc/01/18/61/761011861.db2.gz OUAVGXUWPFLXME-XJKSGUPXSA-N 1 2 337.383 0.679 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1c[nH+]cn1C ZINC001050924306 761152265 /nfs/dbraw/zinc/15/22/65/761152265.db2.gz DPMOGARDKAOIAQ-ZACQAIPSSA-N 1 2 348.447 0.718 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1nc2ncc(C)cn2n1 ZINC001050975346 761259643 /nfs/dbraw/zinc/25/96/43/761259643.db2.gz YFKWVYOGACAZBN-AWEZNQCLSA-N 1 2 344.419 0.830 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1nc2ncc(C)cn2n1 ZINC001050975346 761259644 /nfs/dbraw/zinc/25/96/44/761259644.db2.gz YFKWVYOGACAZBN-AWEZNQCLSA-N 1 2 344.419 0.830 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1CNc1ccnc(C#N)n1 ZINC001060263947 761295144 /nfs/dbraw/zinc/29/51/44/761295144.db2.gz DJTWXUCBYGQZOI-CYBMUJFWSA-N 1 2 339.403 0.837 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(-n2cnnn2)cn1 ZINC001051041573 761379142 /nfs/dbraw/zinc/37/91/42/761379142.db2.gz YKNIUVIHXAKLHU-CQSZACIVSA-N 1 2 343.391 0.064 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(-n2cnnn2)cn1 ZINC001051041573 761379151 /nfs/dbraw/zinc/37/91/51/761379151.db2.gz YKNIUVIHXAKLHU-CQSZACIVSA-N 1 2 343.391 0.064 20 30 ECEDLO C=CCN1CCOC[C@H]1CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001051075693 761444836 /nfs/dbraw/zinc/44/48/36/761444836.db2.gz MEAVEDHVXMNPKB-SJORKVTESA-N 1 2 337.464 0.633 20 30 ECEDLO C=CCN1CCOC[C@H]1CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001051075693 761444840 /nfs/dbraw/zinc/44/48/40/761444840.db2.gz MEAVEDHVXMNPKB-SJORKVTESA-N 1 2 337.464 0.633 20 30 ECEDLO C#CCN1CCOC[C@@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001051191378 761654414 /nfs/dbraw/zinc/65/44/14/761654414.db2.gz DPEBSSCHRKZLMM-HNNXBMFYSA-N 1 2 325.372 0.331 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccnc2nc(C)nn21 ZINC001051204238 761682838 /nfs/dbraw/zinc/68/28/38/761682838.db2.gz MPVGHMOEPDJGNG-ZDUSSCGKSA-N 1 2 330.392 0.439 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccnc2nc(C)nn21 ZINC001051204238 761682845 /nfs/dbraw/zinc/68/28/45/761682845.db2.gz MPVGHMOEPDJGNG-ZDUSSCGKSA-N 1 2 330.392 0.439 20 30 ECEDLO Cc1nc(-n2cccn2)c(C)c(NC[C@@H](O)CNC(=O)[C@@H](C)C#N)[nH+]1 ZINC001105773598 761699770 /nfs/dbraw/zinc/69/97/70/761699770.db2.gz KCJYLTGKPPAZNV-GXFFZTMASA-N 1 2 343.391 0.328 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CCOCC2)C1=O ZINC001017493887 768057628 /nfs/dbraw/zinc/05/76/28/768057628.db2.gz JFJFACBOOGOVMM-BBWFWOEESA-N 1 2 345.443 0.795 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CCOCC2)C1=O ZINC001017493887 768057630 /nfs/dbraw/zinc/05/76/30/768057630.db2.gz JFJFACBOOGOVMM-BBWFWOEESA-N 1 2 345.443 0.795 20 30 ECEDLO C=CCOCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001051258081 761780968 /nfs/dbraw/zinc/78/09/68/761780968.db2.gz BLKSULCIICCKCG-KBPBESRZSA-N 1 2 334.420 0.518 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C2=CCCCCC2)[C@H](OC)C1 ZINC001212163903 761783741 /nfs/dbraw/zinc/78/37/41/761783741.db2.gz PUPMUZSZNROSCI-HZPDHXFCSA-N 1 2 335.448 0.995 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C2=CCCCCC2)[C@H](OC)C1 ZINC001212163903 761783745 /nfs/dbraw/zinc/78/37/45/761783745.db2.gz PUPMUZSZNROSCI-HZPDHXFCSA-N 1 2 335.448 0.995 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)C3CCC3)C2)C1=O ZINC001077461122 762705674 /nfs/dbraw/zinc/70/56/74/762705674.db2.gz JXYNFOQINSOBCX-OWCLPIDISA-N 1 2 349.475 0.761 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)C3CCC3)C2)C1=O ZINC001077461122 762705679 /nfs/dbraw/zinc/70/56/79/762705679.db2.gz JXYNFOQINSOBCX-OWCLPIDISA-N 1 2 349.475 0.761 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)/C=C\c2ccc[nH]2)[C@H](OC)C1 ZINC001212175091 762708359 /nfs/dbraw/zinc/70/83/59/762708359.db2.gz GJDSSJOIYONAPN-IBVSFMJSSA-N 1 2 346.431 0.534 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)/C=C\c2ccc[nH]2)[C@H](OC)C1 ZINC001212175091 762708362 /nfs/dbraw/zinc/70/83/62/762708362.db2.gz GJDSSJOIYONAPN-IBVSFMJSSA-N 1 2 346.431 0.534 20 30 ECEDLO Cc1nsc(NC[C@H](O)CNC(=O)Cc2[nH]c[nH+]c2C)c1C#N ZINC001105920596 762773709 /nfs/dbraw/zinc/77/37/09/762773709.db2.gz JJEADYYTYAZLJM-SNVBAGLBSA-N 1 2 334.405 0.486 20 30 ECEDLO N#Cc1c(F)cccc1N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001051718163 762788361 /nfs/dbraw/zinc/78/83/61/762788361.db2.gz MTEVMCYYRSMYON-UKRRQHHQSA-N 1 2 343.362 0.719 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)Cn3nccn3)C2)c1 ZINC001014564585 762835804 /nfs/dbraw/zinc/83/58/04/762835804.db2.gz JMGXSQPDXOSMCP-AWEZNQCLSA-N 1 2 328.351 0.680 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)Cn3nccn3)C2)c1 ZINC001014564585 762835811 /nfs/dbraw/zinc/83/58/11/762835811.db2.gz JMGXSQPDXOSMCP-AWEZNQCLSA-N 1 2 328.351 0.680 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)NC[C@H](O)CNc1ccc(C#N)cn1 ZINC001105927291 762841848 /nfs/dbraw/zinc/84/18/48/762841848.db2.gz DKKWCBHFMXXIKB-CQSZACIVSA-N 1 2 328.376 0.209 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001017528279 768086859 /nfs/dbraw/zinc/08/68/59/768086859.db2.gz CSGPBIDBJCCDND-UKRRQHHQSA-N 1 2 341.415 0.880 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3nnc(C)o3)C2)cc1 ZINC001051747047 762860175 /nfs/dbraw/zinc/86/01/75/762860175.db2.gz IBLHGTVGRBNHHU-MRXNPFEDSA-N 1 2 340.383 0.990 20 30 ECEDLO Cc1cc(N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](O)C2)c(C#N)cn1 ZINC001051791003 762975686 /nfs/dbraw/zinc/97/56/86/762975686.db2.gz ZHILMCBOXKUETK-GOEBONIOSA-N 1 2 340.387 0.283 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC001014730585 763048977 /nfs/dbraw/zinc/04/89/77/763048977.db2.gz DBRSDVIHMLMBGQ-OAHLLOKOSA-N 1 2 346.431 0.337 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001014730585 763048981 /nfs/dbraw/zinc/04/89/81/763048981.db2.gz DBRSDVIHMLMBGQ-OAHLLOKOSA-N 1 2 346.431 0.337 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001017549214 768104810 /nfs/dbraw/zinc/10/48/10/768104810.db2.gz FVYDKTZYJCPTKT-SOUVJXGZSA-N 1 2 341.415 0.461 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001017549214 768104814 /nfs/dbraw/zinc/10/48/14/768104814.db2.gz FVYDKTZYJCPTKT-SOUVJXGZSA-N 1 2 341.415 0.461 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2O)C1 ZINC000991758298 763289925 /nfs/dbraw/zinc/28/99/25/763289925.db2.gz CLGWBQWCRJRKRB-KBPBESRZSA-N 1 2 332.404 0.387 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3nc(C)no3)C2)cn1 ZINC001051908791 763303801 /nfs/dbraw/zinc/30/38/01/763303801.db2.gz LIEDKGJTILGASI-HNNXBMFYSA-N 1 2 341.371 0.385 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001014858864 763317456 /nfs/dbraw/zinc/31/74/56/763317456.db2.gz DFNQSRJQWLSIQJ-HZPDHXFCSA-N 1 2 326.400 0.917 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001014858864 763317465 /nfs/dbraw/zinc/31/74/65/763317465.db2.gz DFNQSRJQWLSIQJ-HZPDHXFCSA-N 1 2 326.400 0.917 20 30 ECEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CCNC3=O)C2)ccc1F ZINC001031897075 763430648 /nfs/dbraw/zinc/43/06/48/763430648.db2.gz OIXPXWUQIRYBIA-CQSZACIVSA-N 1 2 330.363 0.381 20 30 ECEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@@H]3C(N)=O)C2)c1 ZINC001031900110 763453349 /nfs/dbraw/zinc/45/33/49/763453349.db2.gz YYIWIKYKAJYNCF-LSDHHAIUSA-N 1 2 344.390 0.757 20 30 ECEDLO Cn1nnc(C(=O)NCC2C[NH+](CC#Cc3cccc(Cl)c3)C2)n1 ZINC001031904450 763484964 /nfs/dbraw/zinc/48/49/64/763484964.db2.gz CDAHCNSVTORODU-UHFFFAOYSA-N 1 2 344.806 0.577 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)CN3CCCC3=O)C2)CC1 ZINC001051976798 763495931 /nfs/dbraw/zinc/49/59/31/763495931.db2.gz AMYDHJDYDJYQKQ-MRXNPFEDSA-N 1 2 334.464 0.403 20 30 ECEDLO CN1CC[C@@H](C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)C1=O ZINC001031910820 763527012 /nfs/dbraw/zinc/52/70/12/763527012.db2.gz RBBFRLZWXQPFNY-KRWDZBQOSA-N 1 2 343.402 0.704 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(CCc3cnn(C)c3)CC2)C1 ZINC001051997352 763547756 /nfs/dbraw/zinc/54/77/56/763547756.db2.gz AMMYXCMFXSOWAQ-RDJZCZTQSA-N 1 2 344.463 0.341 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn(CC)c3)C2)CC1 ZINC001052000739 763557688 /nfs/dbraw/zinc/55/76/88/763557688.db2.gz PHUTVUKZVCFCDZ-QGZVFWFLSA-N 1 2 329.448 0.758 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3COCCN3C)C2)CC1 ZINC001052012153 763582544 /nfs/dbraw/zinc/58/25/44/763582544.db2.gz DUWPCSLEWLYADF-IAGOWNOFSA-N 1 2 336.480 0.112 20 30 ECEDLO C#CCC1(C(=O)NC[C@@H](O)CNc2[nH+]cnc3c2cnn3C)CCC1 ZINC001106004729 763600133 /nfs/dbraw/zinc/60/01/33/763600133.db2.gz YOYJYVBALBIJFF-LBPRGKRZSA-N 1 2 342.403 0.446 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnnn3CC)C2)CC1 ZINC001052024870 763614136 /nfs/dbraw/zinc/61/41/36/763614136.db2.gz PMLWIJRSNMNJDE-OAHLLOKOSA-N 1 2 330.436 0.153 20 30 ECEDLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052028389 763623868 /nfs/dbraw/zinc/62/38/68/763623868.db2.gz PDEYXAYTMLUGLL-ULQDDVLXSA-N 1 2 334.464 0.790 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@]34C[C@H]3COC4)C2)CC1 ZINC001052031852 763634075 /nfs/dbraw/zinc/63/40/75/763634075.db2.gz YVFYAMFPOMWGAN-UXLLHSPISA-N 1 2 339.867 0.994 20 30 ECEDLO CCCn1nccc1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052033421 763635977 /nfs/dbraw/zinc/63/59/77/763635977.db2.gz RBVPXDNEIGENLV-OAHLLOKOSA-N 1 2 330.436 0.649 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cn4c(n3)CCCC4)C2)CC1 ZINC001052033039 763636272 /nfs/dbraw/zinc/63/62/72/763636272.db2.gz MIGKPGAMWMTQEX-INIZCTEOSA-N 1 2 341.459 0.685 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)C2)CC1 ZINC001052035871 763645141 /nfs/dbraw/zinc/64/51/41/763645141.db2.gz SDOHGDURUPVICN-SJORKVTESA-N 1 2 346.475 0.097 20 30 ECEDLO CC(C)(C)n1cc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)nn1 ZINC001052036732 763650929 /nfs/dbraw/zinc/65/09/29/763650929.db2.gz TVWJFMHTKDKSAC-CQSZACIVSA-N 1 2 345.451 0.389 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc4n[nH]cc4c3)C2)CC1 ZINC001052040802 763663913 /nfs/dbraw/zinc/66/39/13/763663913.db2.gz LAQVAQMZAPIGAW-INIZCTEOSA-N 1 2 340.431 0.976 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@H]3CCN(C)C3=O)C2)CC1 ZINC001052040757 763664122 /nfs/dbraw/zinc/66/41/22/763664122.db2.gz JPLSQVDQOVREMC-IAGOWNOFSA-N 1 2 346.475 0.097 20 30 ECEDLO COc1cncc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)c1C ZINC001052043427 763674891 /nfs/dbraw/zinc/67/48/91/763674891.db2.gz XWKNIUAZKUFQNE-OAHLLOKOSA-N 1 2 343.431 0.754 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn(C)c3CC)C2)CC1 ZINC001052047953 763692377 /nfs/dbraw/zinc/69/23/77/763692377.db2.gz GOONCVNZKVBPIH-MRXNPFEDSA-N 1 2 343.475 0.838 20 30 ECEDLO CC(C)(C)n1cc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)cn1 ZINC001052048460 763696992 /nfs/dbraw/zinc/69/69/92/763696992.db2.gz UZXVRUPITCPHHB-MRXNPFEDSA-N 1 2 344.463 0.994 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccn(CCOC)n3)C2)CC1 ZINC001052049450 763702619 /nfs/dbraw/zinc/70/26/19/763702619.db2.gz LYZOPTCAPURNOA-MRXNPFEDSA-N 1 2 347.463 0.548 20 30 ECEDLO Cn1c(Cl)ncc1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052051858 763713106 /nfs/dbraw/zinc/71/31/06/763713106.db2.gz DRUPXJCDLYHKFF-LBPRGKRZSA-N 1 2 336.827 0.429 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C2)CC1 ZINC001052053560 763718963 /nfs/dbraw/zinc/71/89/63/763718963.db2.gz NKXKPLNKSVENSY-HNNXBMFYSA-N 1 2 345.447 0.189 20 30 ECEDLO N#Cc1cnccc1NC[C@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC001106018288 763727095 /nfs/dbraw/zinc/72/70/95/763727095.db2.gz UPBATHMWXRVILW-ZDUSSCGKSA-N 1 2 336.355 0.226 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)CCc3nc(C)no3)C2)CC1 ZINC001052059541 763737516 /nfs/dbraw/zinc/73/75/16/763737516.db2.gz KKWOMUNOKIYGML-INIZCTEOSA-N 1 2 345.447 0.552 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3c(C)nn(C)c3C)C2)CC1 ZINC001052059556 763737538 /nfs/dbraw/zinc/73/75/38/763737538.db2.gz KOPLIKQQFBAVQU-QGZVFWFLSA-N 1 2 343.475 0.431 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN([C@H]3CCN(C)C3=O)CC2)C1 ZINC001052061193 763743009 /nfs/dbraw/zinc/74/30/09/763743009.db2.gz SYNQNVVPLTXHCH-CVEARBPZSA-N 1 2 348.491 0.648 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H](N2CC[NH+]([C@H]3CCN(C)C3=O)CC2)C1 ZINC001052061193 763743012 /nfs/dbraw/zinc/74/30/12/763743012.db2.gz SYNQNVVPLTXHCH-CVEARBPZSA-N 1 2 348.491 0.648 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN([C@@H]3CCNC3=O)CC2)C1 ZINC001052062917 763747982 /nfs/dbraw/zinc/74/79/82/763747982.db2.gz QJEVKWCOYIZEOB-HUUCEWRRSA-N 1 2 334.464 0.306 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)CC1 ZINC001052091927 763830744 /nfs/dbraw/zinc/83/07/44/763830744.db2.gz PCFSBRQIOHWUNI-FGTMMUONSA-N 1 2 341.459 0.375 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)CCc3cn[nH]c3)C2)CC1 ZINC001052093166 763836879 /nfs/dbraw/zinc/83/68/79/763836879.db2.gz KKUHBJOETGZZGO-KRWDZBQOSA-N 1 2 329.448 0.584 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C)c3c(C)n[nH]c3C)C2)CC1 ZINC001052097979 763852120 /nfs/dbraw/zinc/85/21/20/763852120.db2.gz AWTMBMHNBBFUPF-YOEHRIQHSA-N 1 2 343.475 0.982 20 30 ECEDLO CCn1nc(C)c(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)c1C ZINC001052099287 763856763 /nfs/dbraw/zinc/85/67/63/763856763.db2.gz XVZPPQUCGIUGBX-MRXNPFEDSA-N 1 2 344.463 0.876 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn(C(F)F)c3)C2)CC1 ZINC001052102608 763867063 /nfs/dbraw/zinc/86/70/63/763867063.db2.gz FNZLNSWPPXWQPB-CQSZACIVSA-N 1 2 337.374 0.744 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn(C(C)C)nn3)C2)CC1 ZINC001052104003 763870883 /nfs/dbraw/zinc/87/08/83/763870883.db2.gz WVZXJHNOMVSGEX-HNNXBMFYSA-N 1 2 330.436 0.324 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cn(C(C)C)nn3)C2)CC1 ZINC001052104003 763870891 /nfs/dbraw/zinc/87/08/91/763870891.db2.gz WVZXJHNOMVSGEX-HNNXBMFYSA-N 1 2 330.436 0.324 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn4c3CCCC4)C2)CC1 ZINC001052105176 763875832 /nfs/dbraw/zinc/87/58/32/763875832.db2.gz GUZAISLTEXSPHZ-HNNXBMFYSA-N 1 2 342.447 0.575 20 30 ECEDLO CN(C(=O)C1=COCCO1)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047288772 763893172 /nfs/dbraw/zinc/89/31/72/763893172.db2.gz SMISGPWTNKOMIR-IRXDYDNUSA-N 1 2 342.395 0.430 20 30 ECEDLO CN(C(=O)C1=COCCO1)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047288772 763893182 /nfs/dbraw/zinc/89/31/82/763893182.db2.gz SMISGPWTNKOMIR-IRXDYDNUSA-N 1 2 342.395 0.430 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cncc(C(N)=O)c3)C2)CC1 ZINC001052117275 763926354 /nfs/dbraw/zinc/92/63/54/763926354.db2.gz COGNSRICUYYYIU-INIZCTEOSA-N 1 2 343.431 0.199 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3occc3C)C2)C1=O ZINC001047306925 763941150 /nfs/dbraw/zinc/94/11/50/763941150.db2.gz ZWYJAUITKYCBIA-ILXRZTDVSA-N 1 2 347.415 0.492 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3occc3C)C2)C1=O ZINC001047306925 763941161 /nfs/dbraw/zinc/94/11/61/763941161.db2.gz ZWYJAUITKYCBIA-ILXRZTDVSA-N 1 2 347.415 0.492 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccc(C(N)=O)n3)C2)CC1 ZINC001052121630 763943965 /nfs/dbraw/zinc/94/39/65/763943965.db2.gz FHBZGNRTZNAMTI-CQSZACIVSA-N 1 2 343.431 0.199 20 30 ECEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)c1 ZINC001031981524 763950719 /nfs/dbraw/zinc/95/07/19/763950719.db2.gz HHBBORYBSXSVGV-KGLIPLIRSA-N 1 2 330.363 0.367 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc(OCC)cn3)C2)CC1 ZINC001052125310 763952770 /nfs/dbraw/zinc/95/27/70/763952770.db2.gz OIIGHKFOAWSCQR-OAHLLOKOSA-N 1 2 343.431 0.341 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnc(OCC)cn3)C2)CC1 ZINC001052125310 763952775 /nfs/dbraw/zinc/95/27/75/763952775.db2.gz OIIGHKFOAWSCQR-OAHLLOKOSA-N 1 2 343.431 0.341 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnc(COC)s3)C2)CC1 ZINC001052125387 763953540 /nfs/dbraw/zinc/95/35/40/763953540.db2.gz QOZWHSTYKZZCPJ-AWEZNQCLSA-N 1 2 348.472 0.755 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(C(N)=O)ccn3)C2)CC1 ZINC001052130747 763962499 /nfs/dbraw/zinc/96/24/99/763962499.db2.gz BTDZOPOFQCQYDH-HNNXBMFYSA-N 1 2 343.431 0.199 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001031987811 763998884 /nfs/dbraw/zinc/99/88/84/763998884.db2.gz AECQKTNOHZHSKM-CFVMTHIKSA-N 1 2 342.461 0.060 20 30 ECEDLO N#Cc1c(F)cccc1NC[C@@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001106039282 764029199 /nfs/dbraw/zinc/02/91/99/764029199.db2.gz PTTVTTKVEARYQC-GFCCVEGCSA-N 1 2 331.351 0.873 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@H+](Cc2ccns2)C[C@@H]1O ZINC001047338469 764047756 /nfs/dbraw/zinc/04/77/56/764047756.db2.gz XSJICEIGDIAUID-KBPBESRZSA-N 1 2 331.401 0.660 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@@H+](Cc2ccns2)C[C@@H]1O ZINC001047338469 764047765 /nfs/dbraw/zinc/04/77/65/764047765.db2.gz XSJICEIGDIAUID-KBPBESRZSA-N 1 2 331.401 0.660 20 30 ECEDLO CCN(CCNc1ccnc(C#N)n1)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001106967354 764064222 /nfs/dbraw/zinc/06/42/22/764064222.db2.gz HIZRYQOGEXSQFP-LBPRGKRZSA-N 1 2 327.392 0.632 20 30 ECEDLO CCN(CCNc1ccnc(C#N)n1)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001106967354 764064226 /nfs/dbraw/zinc/06/42/26/764064226.db2.gz HIZRYQOGEXSQFP-LBPRGKRZSA-N 1 2 327.392 0.632 20 30 ECEDLO C=CCOCC(=O)N1C[C@H](C)[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001052220827 764080771 /nfs/dbraw/zinc/08/07/71/764080771.db2.gz NBCFWJSNRFHVEP-UONOGXRCSA-N 1 2 334.420 0.756 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3c[nH]c4ncccc34)C2)nn1 ZINC001098784728 768191130 /nfs/dbraw/zinc/19/11/30/768191130.db2.gz KKUPLBHQRBVCBH-CQSZACIVSA-N 1 2 349.398 0.964 20 30 ECEDLO Cc1c[nH]nc1C(=O)N(C)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047373620 764148412 /nfs/dbraw/zinc/14/84/12/764148412.db2.gz YWSYEPCBGAIMSL-IRXDYDNUSA-N 1 2 338.411 0.887 20 30 ECEDLO Cc1c[nH]nc1C(=O)N(C)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047373620 764148418 /nfs/dbraw/zinc/14/84/18/764148418.db2.gz YWSYEPCBGAIMSL-IRXDYDNUSA-N 1 2 338.411 0.887 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cccn3CC)C2)nn1 ZINC001098784729 768191202 /nfs/dbraw/zinc/19/12/02/768191202.db2.gz KNRYUWLMYUIZTQ-HNNXBMFYSA-N 1 2 326.404 0.910 20 30 ECEDLO N#Cc1cnc(N2CC=C(CCNC(=O)Cc3c[nH]c[nH+]3)CC2)cn1 ZINC001089865283 764150595 /nfs/dbraw/zinc/15/05/95/764150595.db2.gz RFMXBFLJVMAAON-UHFFFAOYSA-N 1 2 337.387 0.957 20 30 ECEDLO C=CCOCC(=O)NCC[NH2+]Cc1csc(CS(C)(=O)=O)n1 ZINC001124773590 764234911 /nfs/dbraw/zinc/23/49/11/764234911.db2.gz UGTNDZDUJDHGEW-UHFFFAOYSA-N 1 2 347.462 0.096 20 30 ECEDLO Cc1cc(NCCOCCN(C)C(=O)Cn2cc[nH+]c2)c(C#N)cn1 ZINC001127328751 768202996 /nfs/dbraw/zinc/20/29/96/768202996.db2.gz JYONGUUJQDMNFF-UHFFFAOYSA-N 1 2 342.403 0.467 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)nc3ccnn3c2C)C1 ZINC001047434749 764335399 /nfs/dbraw/zinc/33/53/99/764335399.db2.gz YZGSUEAKGXSDQM-KBPBESRZSA-N 1 2 327.388 0.096 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)nc3ccnn3c2C)C1 ZINC001047434749 764335405 /nfs/dbraw/zinc/33/54/05/764335405.db2.gz YZGSUEAKGXSDQM-KBPBESRZSA-N 1 2 327.388 0.096 20 30 ECEDLO C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H]1C ZINC001088927367 764500646 /nfs/dbraw/zinc/50/06/46/764500646.db2.gz RDDYWIXYNUHBCA-OCCSQVGLSA-N 1 2 344.419 0.616 20 30 ECEDLO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H]1C ZINC001088927367 764500651 /nfs/dbraw/zinc/50/06/51/764500651.db2.gz RDDYWIXYNUHBCA-OCCSQVGLSA-N 1 2 344.419 0.616 20 30 ECEDLO CN(C(=O)[C@@]1(F)CCOC1)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047502722 764532077 /nfs/dbraw/zinc/53/20/77/764532077.db2.gz PZBVWWASYVDCDU-JENIJYKNSA-N 1 2 346.402 0.670 20 30 ECEDLO CN(C(=O)[C@@]1(F)CCOC1)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047502722 764532082 /nfs/dbraw/zinc/53/20/82/764532082.db2.gz PZBVWWASYVDCDU-JENIJYKNSA-N 1 2 346.402 0.670 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C2CCCC2)CCNC1=O ZINC001017631408 768220001 /nfs/dbraw/zinc/22/00/01/768220001.db2.gz JADSBBVTYGTTMC-FCEWJHQRSA-N 1 2 329.444 0.991 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C2CCCC2)CCNC1=O ZINC001017631408 768220007 /nfs/dbraw/zinc/22/00/07/768220007.db2.gz JADSBBVTYGTTMC-FCEWJHQRSA-N 1 2 329.444 0.991 20 30 ECEDLO C=CCOc1cccnc1C(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001032115123 764628735 /nfs/dbraw/zinc/62/87/35/764628735.db2.gz SHQJGBLSIBKPIS-UHFFFAOYSA-N 1 2 344.415 0.587 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CNC(C)=O)s2)C1 ZINC001047543679 764644567 /nfs/dbraw/zinc/64/45/67/764644567.db2.gz FLQWJVMVEZOCTR-GJZGRUSLSA-N 1 2 349.456 0.525 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(CNC(C)=O)s2)C1 ZINC001047543679 764644572 /nfs/dbraw/zinc/64/45/72/764644572.db2.gz FLQWJVMVEZOCTR-GJZGRUSLSA-N 1 2 349.456 0.525 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(F)cccc2NC(N)=O)C1 ZINC001047547429 764655601 /nfs/dbraw/zinc/65/56/01/764655601.db2.gz QMUGVEQGQGAQRC-STQMWFEESA-N 1 2 334.351 0.067 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(F)cccc2NC(N)=O)C1 ZINC001047547429 764655606 /nfs/dbraw/zinc/65/56/06/764655606.db2.gz QMUGVEQGQGAQRC-STQMWFEESA-N 1 2 334.351 0.067 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3c2OCCCO3)C1 ZINC001047576860 764750366 /nfs/dbraw/zinc/75/03/66/764750366.db2.gz SVLMCNIOMXMPSZ-GJZGRUSLSA-N 1 2 330.384 0.598 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc3c2OCCCO3)C1 ZINC001047576860 764750369 /nfs/dbraw/zinc/75/03/69/764750369.db2.gz SVLMCNIOMXMPSZ-GJZGRUSLSA-N 1 2 330.384 0.598 20 30 ECEDLO CN(C(=O)[C@@]1(C)CCOC1)[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047577962 764754286 /nfs/dbraw/zinc/75/42/86/764754286.db2.gz HXPWWPVPSGSCPS-LNLFQRSKSA-N 1 2 343.427 0.988 20 30 ECEDLO CN(C(=O)[C@@]1(C)CCOC1)[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047577962 764754297 /nfs/dbraw/zinc/75/42/97/764754297.db2.gz HXPWWPVPSGSCPS-LNLFQRSKSA-N 1 2 343.427 0.988 20 30 ECEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@@H]3CCC(=O)N3)C2)c1 ZINC001032137832 764789896 /nfs/dbraw/zinc/78/98/96/764789896.db2.gz AXFGWQZONJSRGJ-HNNXBMFYSA-N 1 2 330.363 0.524 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H](C)[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001052598749 764827344 /nfs/dbraw/zinc/82/73/44/764827344.db2.gz IUIOHPNRQGODHY-DZGCQCFKSA-N 1 2 346.431 0.511 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@H+](Cc3cnoc3C)C[C@@H]2O)cn1 ZINC001047599332 764838281 /nfs/dbraw/zinc/83/82/81/764838281.db2.gz RULKQCGJLIMAQP-IRXDYDNUSA-N 1 2 340.383 0.677 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](Cc3cnoc3C)C[C@@H]2O)cn1 ZINC001047599332 764838286 /nfs/dbraw/zinc/83/82/86/764838286.db2.gz RULKQCGJLIMAQP-IRXDYDNUSA-N 1 2 340.383 0.677 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sc(COC)nc2C)C1 ZINC001047611986 764878742 /nfs/dbraw/zinc/87/87/42/764878742.db2.gz OQJSEMHYXQVVOY-STQMWFEESA-N 1 2 337.445 0.738 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sc(COC)nc2C)C1 ZINC001047611986 764878752 /nfs/dbraw/zinc/87/87/52/764878752.db2.gz OQJSEMHYXQVVOY-STQMWFEESA-N 1 2 337.445 0.738 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC001015544270 764920556 /nfs/dbraw/zinc/92/05/56/764920556.db2.gz GMEOTICSYGFSEB-YPMHNXCESA-N 1 2 340.387 0.867 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)[nH]1 ZINC001015592092 765020257 /nfs/dbraw/zinc/02/02/57/765020257.db2.gz UVMHDSWAELKWRT-NEPJUHHUSA-N 1 2 340.387 0.867 20 30 ECEDLO C=CCOCC(=O)N1C[C@@H](Nc2cc[nH+]c(C)n2)[C@@H](n2ccnn2)C1 ZINC001089088868 765056749 /nfs/dbraw/zinc/05/67/49/765056749.db2.gz WJKHHWGUOSXQMS-KGLIPLIRSA-N 1 2 343.391 0.443 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3nc(C)no3)CC2)nn1 ZINC001052775037 765097820 /nfs/dbraw/zinc/09/78/20/765097820.db2.gz QELYPMAELAFXBA-ZDUSSCGKSA-N 1 2 345.407 0.940 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3nc(C)no3)CC2)nn1 ZINC001052775037 765097826 /nfs/dbraw/zinc/09/78/26/765097826.db2.gz QELYPMAELAFXBA-ZDUSSCGKSA-N 1 2 345.407 0.940 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CCCC3)C2)c1 ZINC001015678608 765150168 /nfs/dbraw/zinc/15/01/68/765150168.db2.gz KRYMLLQOVWGIDT-QGZVFWFLSA-N 1 2 340.427 0.926 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CCCC3)C2)c1 ZINC001015678608 765150176 /nfs/dbraw/zinc/15/01/76/765150176.db2.gz KRYMLLQOVWGIDT-QGZVFWFLSA-N 1 2 340.427 0.926 20 30 ECEDLO C=CCCOCC(=O)N1C[C@H](C)[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001052833141 765199573 /nfs/dbraw/zinc/19/95/73/765199573.db2.gz ISDMQBGQFIIUOR-LSDHHAIUSA-N 1 2 348.447 0.766 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ccnc(C)n3)C2)nn1 ZINC001098785675 768290461 /nfs/dbraw/zinc/29/04/61/768290461.db2.gz XDHQAJVDSYZIBR-HNNXBMFYSA-N 1 2 339.403 0.577 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3ncccc3F)C2)C1=O ZINC001015901306 765515646 /nfs/dbraw/zinc/51/56/46/765515646.db2.gz SFJWONAFOHPTLZ-TZMCWYRMSA-N 1 2 332.379 0.812 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3ncccc3F)C2)C1=O ZINC001015901306 765515654 /nfs/dbraw/zinc/51/56/54/765515654.db2.gz SFJWONAFOHPTLZ-TZMCWYRMSA-N 1 2 332.379 0.812 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ccnc(C)n3)C2)nn1 ZINC001098785876 768304325 /nfs/dbraw/zinc/30/43/25/768304325.db2.gz ZQJZYFCXMXQXBA-AWEZNQCLSA-N 1 2 325.376 0.187 20 30 ECEDLO N#Cc1nccc(N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)Cc2[nH]cc[nH+]2)C3)n1 ZINC001054829919 768307325 /nfs/dbraw/zinc/30/73/25/768307325.db2.gz QYBCEIXXEHYVHK-XQQFMLRXSA-N 1 2 337.387 0.527 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cc3nc[nH]n3)C2)c(F)c1 ZINC001015967087 765634786 /nfs/dbraw/zinc/63/47/86/765634786.db2.gz DQZNTPHWNPUWBA-ZDUSSCGKSA-N 1 2 328.351 0.749 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Cc3nc[nH]n3)C2)c(F)c1 ZINC001015967087 765634791 /nfs/dbraw/zinc/63/47/91/765634791.db2.gz DQZNTPHWNPUWBA-ZDUSSCGKSA-N 1 2 328.351 0.749 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1CNC(=O)C#CC1CC1 ZINC001053150866 765660679 /nfs/dbraw/zinc/66/06/79/765660679.db2.gz PSERRTOEPWFUKC-GDBMZVCRSA-N 1 2 342.443 0.977 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1CNC(=O)C#CC1CC1 ZINC001053150867 765660906 /nfs/dbraw/zinc/66/09/06/765660906.db2.gz PSERRTOEPWFUKC-GOEBONIOSA-N 1 2 342.443 0.977 20 30 ECEDLO C=CCCOCC(=O)NC[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001053268145 765871116 /nfs/dbraw/zinc/87/11/16/765871116.db2.gz OMNDEWCRHDXARG-KBPBESRZSA-N 1 2 334.420 0.756 20 30 ECEDLO CC#CC[N@@H+]1CC[C@]2(NC(=O)C3CCS(=O)(=O)CC3)CCC[C@H]12 ZINC000992260242 766083675 /nfs/dbraw/zinc/08/36/75/766083675.db2.gz MKFFLQZVOYBLIY-DOTOQJQBSA-N 1 2 338.473 0.948 20 30 ECEDLO CC#CC[N@H+]1CC[C@]2(NC(=O)C3CCS(=O)(=O)CC3)CCC[C@H]12 ZINC000992260242 766083681 /nfs/dbraw/zinc/08/36/81/766083681.db2.gz MKFFLQZVOYBLIY-DOTOQJQBSA-N 1 2 338.473 0.948 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCN(C(=O)CC)C1)CCO2 ZINC001053498822 766238475 /nfs/dbraw/zinc/23/84/75/766238475.db2.gz KSJVCHZNSKBAFG-HNNXBMFYSA-N 1 2 335.448 0.734 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)Cc1nc(C3CC3)nn1C)CCO2 ZINC001053538194 766302435 /nfs/dbraw/zinc/30/24/35/766302435.db2.gz VPIQTKLJIZOXHA-UHFFFAOYSA-N 1 2 345.447 0.724 20 30 ECEDLO C=C1CCC(C(=O)NC2C[NH+](CCCN3C(=O)CNC3=O)C2)CC1 ZINC001030903474 766314319 /nfs/dbraw/zinc/31/43/19/766314319.db2.gz IUJFMYFURWQRIU-UHFFFAOYSA-N 1 2 334.420 0.475 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc(C(N)=O)ccn1)CCO2 ZINC001053554307 766323209 /nfs/dbraw/zinc/32/32/09/766323209.db2.gz KBPUDDAGMWLGNO-UHFFFAOYSA-N 1 2 330.388 0.283 20 30 ECEDLO C=CCCC1(C(=O)NCC2(O)CN(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001045772323 766349808 /nfs/dbraw/zinc/34/98/08/766349808.db2.gz BGSLZSGTWDHOPY-UHFFFAOYSA-N 1 2 346.431 0.399 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001045783161 766364739 /nfs/dbraw/zinc/36/47/39/766364739.db2.gz QFUJNPYKEJQUAK-INIZCTEOSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001045783161 766364765 /nfs/dbraw/zinc/36/47/65/766364765.db2.gz QFUJNPYKEJQUAK-INIZCTEOSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001045785642 766370104 /nfs/dbraw/zinc/37/01/04/766370104.db2.gz RXXVDGYAHFKICO-DYVFJYSZSA-N 1 2 348.447 0.880 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001045785642 766370118 /nfs/dbraw/zinc/37/01/18/766370118.db2.gz RXXVDGYAHFKICO-DYVFJYSZSA-N 1 2 348.447 0.880 20 30 ECEDLO C=CCN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCc3c[nH+]cn3C1)O2 ZINC001053619569 766450756 /nfs/dbraw/zinc/45/07/56/766450756.db2.gz SRONASKSHRFVMV-ZBFHGGJFSA-N 1 2 330.432 0.981 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCc3nc(C)nn3C1)O2 ZINC001053638957 766494563 /nfs/dbraw/zinc/49/45/63/766494563.db2.gz DWIRCMXOSSVXES-GJZGRUSLSA-N 1 2 345.447 0.685 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccn3c(=O)[nH]nc13)O2 ZINC001053685960 766584458 /nfs/dbraw/zinc/58/44/58/766584458.db2.gz CKARDUFMTGENPI-GFCCVEGCSA-N 1 2 343.387 0.584 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnn(C)c1OC)O2 ZINC001053691003 766598008 /nfs/dbraw/zinc/59/80/08/766598008.db2.gz ULXZQIUMUDOOQK-CYBMUJFWSA-N 1 2 334.420 0.968 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001060420551 766598886 /nfs/dbraw/zinc/59/88/86/766598886.db2.gz QVBSROQGIXBGST-ZNMIVQPWSA-N 1 2 346.431 0.898 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1nccnc1C(N)=O)O2 ZINC001053693738 766602068 /nfs/dbraw/zinc/60/20/68/766602068.db2.gz DFXIRKWTVCWBGU-LBPRGKRZSA-N 1 2 345.403 0.115 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@H]1OC ZINC001212262213 766676070 /nfs/dbraw/zinc/67/60/70/766676070.db2.gz HGCGWWBGAHUFSL-HZPDHXFCSA-N 1 2 332.404 0.140 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)ncn2)C[C@H]1OC ZINC001212262213 766676075 /nfs/dbraw/zinc/67/60/75/766676075.db2.gz HGCGWWBGAHUFSL-HZPDHXFCSA-N 1 2 332.404 0.140 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(CC)[nH]n2)C1 ZINC000994752754 766704570 /nfs/dbraw/zinc/70/45/70/766704570.db2.gz VCDLSNSCRGKTPM-HNNXBMFYSA-N 1 2 329.404 0.010 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)c2cc(CC)[nH]n2)C1 ZINC000994752754 766704575 /nfs/dbraw/zinc/70/45/75/766704575.db2.gz VCDLSNSCRGKTPM-HNNXBMFYSA-N 1 2 329.404 0.010 20 30 ECEDLO Cn1cc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)c(C2CC2)n1 ZINC001046032896 766706620 /nfs/dbraw/zinc/70/66/20/766706620.db2.gz JQQUXYCNEZYZKL-HNNXBMFYSA-N 1 2 342.447 0.653 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cc4c([nH]3)CCOC4)CC2)C1 ZINC001046035943 766723270 /nfs/dbraw/zinc/72/32/70/766723270.db2.gz XAUKQAOOHCVFJL-HNNXBMFYSA-N 1 2 343.431 0.443 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)C1 ZINC001046037061 766730704 /nfs/dbraw/zinc/73/07/04/766730704.db2.gz KOKCTIHIRRQXBU-MRXNPFEDSA-N 1 2 342.447 0.575 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cnc4n[nH]cc4c3)CC2)C1 ZINC001046038449 766738372 /nfs/dbraw/zinc/73/83/72/766738372.db2.gz DPUMUMUSXYFESB-HNNXBMFYSA-N 1 2 339.403 0.314 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3ccn4ccnc4c3)CC2)C1 ZINC001046043795 766763495 /nfs/dbraw/zinc/76/34/95/766763495.db2.gz DIXYROHPPHHXHH-INIZCTEOSA-N 1 2 338.415 0.690 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3ncc4ccccn43)CC2)C1 ZINC001046044317 766766255 /nfs/dbraw/zinc/76/62/55/766766255.db2.gz SWJLZKWMWGLGLW-INIZCTEOSA-N 1 2 338.415 0.690 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCN(Cc3nnn(C)n3)C2)CC1 ZINC001046050466 766787410 /nfs/dbraw/zinc/78/74/10/766787410.db2.gz BHYSQEFXZRDLJN-CQSZACIVSA-N 1 2 347.467 0.141 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)c3cocc3C)[C@@H](O)C2)C1=O ZINC001083705318 766843535 /nfs/dbraw/zinc/84/35/35/766843535.db2.gz ASIBJSRJDQTBSJ-ILXRZTDVSA-N 1 2 333.388 0.150 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)c3cocc3C)[C@@H](O)C2)C1=O ZINC001083705318 766843545 /nfs/dbraw/zinc/84/35/45/766843545.db2.gz ASIBJSRJDQTBSJ-ILXRZTDVSA-N 1 2 333.388 0.150 20 30 ECEDLO Cc1nn(C)cc1CCC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046069181 766867673 /nfs/dbraw/zinc/86/76/73/766867673.db2.gz CGXNDBVANAFPGD-KRWDZBQOSA-N 1 2 344.463 0.403 20 30 ECEDLO C#CCOc1ccc(C(=O)NC[C@H](O)CNc2cc[nH+]c(C)n2)cc1 ZINC001106134361 766886802 /nfs/dbraw/zinc/88/68/02/766886802.db2.gz TVBRFXUSUNVXEA-OAHLLOKOSA-N 1 2 340.383 1.000 20 30 ECEDLO C[C@H](CC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1)n1cccn1 ZINC001046075382 766894889 /nfs/dbraw/zinc/89/48/89/766894889.db2.gz RWEBCVRGGGJHDE-CVEARBPZSA-N 1 2 330.436 0.576 20 30 ECEDLO C=CCCOCCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1OC ZINC001212268271 766905260 /nfs/dbraw/zinc/90/52/60/766905260.db2.gz VURWAWIWQWPSHQ-RRFJBIMHSA-N 1 2 341.452 0.439 20 30 ECEDLO C=CCCOCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1OC ZINC001212268271 766905266 /nfs/dbraw/zinc/90/52/66/766905266.db2.gz VURWAWIWQWPSHQ-RRFJBIMHSA-N 1 2 341.452 0.439 20 30 ECEDLO CO[C@H](C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1)C1CCCC1 ZINC001046081157 766918360 /nfs/dbraw/zinc/91/83/60/766918360.db2.gz WBXHVGFDBWENQK-IRXDYDNUSA-N 1 2 334.464 0.934 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)COc3ccc(F)cc3)CC2)C1 ZINC001046081890 766921077 /nfs/dbraw/zinc/92/10/77/766921077.db2.gz LJVVVDSYPYHDQX-MRXNPFEDSA-N 1 2 346.406 0.947 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)CN1CCCCCCC1=O)CO2 ZINC001053822503 766940747 /nfs/dbraw/zinc/94/07/47/766940747.db2.gz OMEONYCUGRYGNH-MRXNPFEDSA-N 1 2 347.459 0.762 20 30 ECEDLO C=CCC1(C(=O)NCC2(O)CN(C(=O)Cc3c[nH+]c[nH]3)C2)CCC1 ZINC001046119527 766947714 /nfs/dbraw/zinc/94/77/14/766947714.db2.gz CSZBYLHRSATYJJ-UHFFFAOYSA-N 1 2 332.404 0.388 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccnn1CCOC)CO2 ZINC001053838778 766983215 /nfs/dbraw/zinc/98/32/15/766983215.db2.gz LRRBLWFVHDHRIG-AWEZNQCLSA-N 1 2 332.404 0.126 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(=O)[nH]c(C3CC3)n1)CO2 ZINC001053842144 766993245 /nfs/dbraw/zinc/99/32/45/766993245.db2.gz DHHPVXAWGMBIRI-ZDUSSCGKSA-N 1 2 342.399 0.656 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1cn3ccccc3n1)CO2 ZINC001053846592 767003123 /nfs/dbraw/zinc/00/31/23/767003123.db2.gz JNGRSSLULZIEQY-MRXNPFEDSA-N 1 2 338.411 0.860 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCn3ccnc3C1)CO2 ZINC001053852468 767023200 /nfs/dbraw/zinc/02/32/00/767023200.db2.gz LNVUKVXFLRBYNY-GJZGRUSLSA-N 1 2 330.432 0.981 20 30 ECEDLO CC#CCN1CC2(C1)C[C@H](NC(=O)[C@H]1CCn3cc[nH+]c3C1)CO2 ZINC001053852675 767024728 /nfs/dbraw/zinc/02/47/28/767024728.db2.gz ORKBPUBYAUQKIX-GJZGRUSLSA-N 1 2 328.416 0.428 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCN(C(C)=O)C1)CO2 ZINC001053864598 767067192 /nfs/dbraw/zinc/06/71/92/767067192.db2.gz FLOYTFRWSJUQFJ-HZPDHXFCSA-N 1 2 333.432 0.228 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)CO2 ZINC001053865410 767070894 /nfs/dbraw/zinc/07/08/94/767070894.db2.gz YGDXOEZNMPUJEU-UONOGXRCSA-N 1 2 336.436 0.313 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3nncn3CC1)CO2 ZINC001053874162 767100323 /nfs/dbraw/zinc/10/03/23/767100323.db2.gz SSFRJLSETJKAOT-CABCVRRESA-N 1 2 345.447 0.766 20 30 ECEDLO Cn1ncc(C[N@@H+]2CC[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)n1 ZINC001042018393 782608969 /nfs/dbraw/zinc/60/89/69/782608969.db2.gz IWHIWAOQPBCTRG-MLGOLLRUSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1ncc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@H]32)n1 ZINC001042018393 782608975 /nfs/dbraw/zinc/60/89/75/782608975.db2.gz IWHIWAOQPBCTRG-MLGOLLRUSA-N 1 2 339.403 0.751 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3nc(C)nn3C1)CO2 ZINC001053878868 767127546 /nfs/dbraw/zinc/12/75/46/767127546.db2.gz LHVSQAUSKARUAK-CABCVRRESA-N 1 2 343.431 0.132 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2COC(=O)N2)C1 ZINC001046286942 767128046 /nfs/dbraw/zinc/12/80/46/767128046.db2.gz HRNUVQAZNMOEJP-BXKDBHETSA-N 1 2 332.198 0.584 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2COC(=O)N2)C1 ZINC001046286942 767128048 /nfs/dbraw/zinc/12/80/48/767128048.db2.gz HRNUVQAZNMOEJP-BXKDBHETSA-N 1 2 332.198 0.584 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)CO2 ZINC001053879837 767131324 /nfs/dbraw/zinc/13/13/24/767131324.db2.gz ATHIRPRZICUWCT-XUWVNRHRSA-N 1 2 334.416 0.021 20 30 ECEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001031754575 767153144 /nfs/dbraw/zinc/15/31/44/767153144.db2.gz JZTUKHFZSPPKJB-MRXNPFEDSA-N 1 2 326.400 0.775 20 30 ECEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CCCC(=O)N3)C2)ccc1F ZINC001031755569 767155771 /nfs/dbraw/zinc/15/57/71/767155771.db2.gz MEAMSYDKXFLWNU-MRXNPFEDSA-N 1 2 344.390 0.914 20 30 ECEDLO CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)CCc2c[nH]c[nH+]2)n1 ZINC001106149891 767361882 /nfs/dbraw/zinc/36/18/82/767361882.db2.gz GUKKRVWZTQOEDS-ZDUSSCGKSA-N 1 2 343.391 0.156 20 30 ECEDLO CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)CCc2c[nH+]c[nH]2)n1 ZINC001106149891 767361892 /nfs/dbraw/zinc/36/18/92/767361892.db2.gz GUKKRVWZTQOEDS-ZDUSSCGKSA-N 1 2 343.391 0.156 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC(=O)N(CCC)C1)CO2 ZINC001053940589 767409112 /nfs/dbraw/zinc/40/91/12/767409112.db2.gz HWEHHJXXPNJAGO-HUUCEWRRSA-N 1 2 333.432 0.228 20 30 ECEDLO N#Cc1cncc(N2CC=C(CCNC(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001089835331 767425302 /nfs/dbraw/zinc/42/53/02/767425302.db2.gz VNXZLFWZRZYEQM-UHFFFAOYSA-N 1 2 337.387 0.888 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2COC3(C[NH+](C[C@@H](C)OC)C3)C2)nn1 ZINC001053951115 767436514 /nfs/dbraw/zinc/43/65/14/767436514.db2.gz QHWMVDYOGZVOQL-KGLIPLIRSA-N 1 2 349.435 0.462 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccnc(NC(C)=O)c1)CO2 ZINC001053959611 767455289 /nfs/dbraw/zinc/45/52/89/767455289.db2.gz BVJBJCUGKCRJJV-HNNXBMFYSA-N 1 2 342.399 0.636 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001046697707 767506465 /nfs/dbraw/zinc/50/64/65/767506465.db2.gz PUNOSJUEXVFKEF-CUMGRINNSA-N 1 2 340.811 0.308 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)C2CC3(C2)NC(=O)NC3=O)C1 ZINC001046697707 767506468 /nfs/dbraw/zinc/50/64/68/767506468.db2.gz PUNOSJUEXVFKEF-CUMGRINNSA-N 1 2 340.811 0.308 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1c(OC)cc[nH]c1=O)CO2 ZINC001053984511 767531732 /nfs/dbraw/zinc/53/17/32/767531732.db2.gz YIRKKUWNTNHLMM-LBPRGKRZSA-N 1 2 331.372 0.392 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2COC3(C[NH+](C[C@H](C)OC)C3)C2)nc1 ZINC001053985212 767534132 /nfs/dbraw/zinc/53/41/32/767534132.db2.gz LLHHZDGLWNHHPD-ZFWWWQNUSA-N 1 2 329.400 0.671 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1COCCN1CC ZINC001054044983 767644619 /nfs/dbraw/zinc/64/46/19/767644619.db2.gz IVTIYGWYQILZPX-RBUKOAKNSA-N 1 2 341.455 0.883 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1COCCN1CC ZINC001054044983 767644623 /nfs/dbraw/zinc/64/46/23/767644623.db2.gz IVTIYGWYQILZPX-RBUKOAKNSA-N 1 2 341.455 0.883 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1=O ZINC001017821016 768412534 /nfs/dbraw/zinc/41/25/34/768412534.db2.gz MCZRQNCZRYWUBR-QROFKTNTSA-N 1 2 345.443 0.341 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1=O ZINC001017821016 768412538 /nfs/dbraw/zinc/41/25/38/768412538.db2.gz MCZRQNCZRYWUBR-QROFKTNTSA-N 1 2 345.443 0.341 20 30 ECEDLO C#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001017840232 768444967 /nfs/dbraw/zinc/44/49/67/768444967.db2.gz BCCKNGSODZXCAL-FGTMMUONSA-N 1 2 331.460 0.938 20 30 ECEDLO C#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001017840232 768444972 /nfs/dbraw/zinc/44/49/72/768444972.db2.gz BCCKNGSODZXCAL-FGTMMUONSA-N 1 2 331.460 0.938 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@H]([NH2+]Cc2nc(CC(=O)NC)no2)[C@@H](C)C1 ZINC001054965169 768475599 /nfs/dbraw/zinc/47/55/99/768475599.db2.gz DEMHWNZYTYJDDN-RYUDHWBXSA-N 1 2 349.435 0.507 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c2n(c(=O)n1C)CCCC2 ZINC001017940868 768529217 /nfs/dbraw/zinc/52/92/17/768529217.db2.gz BHPJDCJGXOCOQU-GASCZTMLSA-N 1 2 342.443 0.835 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c2n(c(=O)n1C)CCCC2 ZINC001017940868 768529218 /nfs/dbraw/zinc/52/92/18/768529218.db2.gz BHPJDCJGXOCOQU-GASCZTMLSA-N 1 2 342.443 0.835 20 30 ECEDLO N#Cc1nccc(N[C@@H]2CC[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)n1 ZINC001060536027 768580184 /nfs/dbraw/zinc/58/01/84/768580184.db2.gz YSYCCROQKWMNHW-MELADBBJSA-N 1 2 337.387 0.316 20 30 ECEDLO N#Cc1cnccc1N[C@@H]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]12 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MORKVASDBKNYME-OLZOCXBDSA-N 1 2 333.436 0.934 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3nc(=O)n(C)[nH]3)[C@@H]2C)C1 ZINC000993789628 769572002 /nfs/dbraw/zinc/57/20/02/769572002.db2.gz MORKVASDBKNYME-OLZOCXBDSA-N 1 2 333.436 0.934 20 30 ECEDLO CCCc1noc(C[NH2+]C[C@H]2CN(C(=O)[C@@H](C)C#N)CCCO2)n1 ZINC001078357922 782765724 /nfs/dbraw/zinc/76/57/24/782765724.db2.gz DZXQHLHUOGKPTH-STQMWFEESA-N 1 2 335.408 0.889 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001018909813 770255243 /nfs/dbraw/zinc/25/52/43/770255243.db2.gz FBLZGLGVSLEFNV-JTQLQIEISA-N 1 2 327.816 0.578 20 30 ECEDLO C=CCn1cccc1C(=O)NC1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000994193353 770282150 /nfs/dbraw/zinc/28/21/50/770282150.db2.gz MCHZBSMDCQCMBU-UHFFFAOYSA-N 1 2 327.388 0.971 20 30 ECEDLO N#Cc1nccc(N2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)n1 ZINC001055941120 770301326 /nfs/dbraw/zinc/30/13/26/770301326.db2.gz YXCDBPJVWJDOBB-ZDUSSCGKSA-N 1 2 337.387 0.456 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3nonc3C)C2)nn1 ZINC001098798403 770482475 /nfs/dbraw/zinc/48/24/75/770482475.db2.gz WHAKJOUQBNHWFF-CYBMUJFWSA-N 1 2 329.364 0.170 20 30 ECEDLO C=CCCCC(=O)N1CCC[C@@](CO)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001056019734 770573278 /nfs/dbraw/zinc/57/32/78/770573278.db2.gz ORMMBXAFUQVSMU-GOSISDBHSA-N 1 2 348.447 0.789 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N[C@@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001056065846 770725940 /nfs/dbraw/zinc/72/59/40/770725940.db2.gz PMAIIMDXJWRHEC-YJBOKZPZSA-N 1 2 348.447 0.955 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCC[C@](CO)(NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001056079678 770776374 /nfs/dbraw/zinc/77/63/74/770776374.db2.gz GDYPXOGBVRSALK-SFHVURJKSA-N 1 2 346.431 0.778 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001019136049 770895795 /nfs/dbraw/zinc/89/57/95/770895795.db2.gz KZIPTXGZGPWVTI-ZIAGYGMSSA-N 1 2 341.415 0.666 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001019273825 771086220 /nfs/dbraw/zinc/08/62/20/771086220.db2.gz BMDNGDJLLXBYEY-CYBMUJFWSA-N 1 2 329.404 0.573 20 30 ECEDLO N#Cc1cnc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCn3c[nH+]cc3C2)cn1 ZINC001056327122 771130933 /nfs/dbraw/zinc/13/09/33/771130933.db2.gz PLPREFUSXXZVRU-ZYIUAKIQSA-N 1 2 349.398 0.358 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC001019367298 771212201 /nfs/dbraw/zinc/21/22/01/771212201.db2.gz VHGSDDBCWMQJSR-ZIAGYGMSSA-N 1 2 341.415 0.666 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056403728 771231486 /nfs/dbraw/zinc/23/14/86/771231486.db2.gz ZVENLCORWHCTIH-HOTGVXAUSA-N 1 2 344.415 0.584 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)c3n[nH]cc3F)[C@@H](O)C2)c1 ZINC001083758823 771306593 /nfs/dbraw/zinc/30/65/93/771306593.db2.gz UWQVIZGOMXNZCA-KGLIPLIRSA-N 1 2 329.335 0.396 20 30 ECEDLO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)c3n[nH]cc3F)[C@@H](O)C2)c1 ZINC001083758823 771306594 /nfs/dbraw/zinc/30/65/94/771306594.db2.gz UWQVIZGOMXNZCA-KGLIPLIRSA-N 1 2 329.335 0.396 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056527874 771355609 /nfs/dbraw/zinc/35/56/09/771355609.db2.gz XEZWYKUJMAJTJK-KGLIPLIRSA-N 1 2 332.404 0.747 20 30 ECEDLO CO[C@@H]1C[N@@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C#CC(C)C ZINC001212241105 771363691 /nfs/dbraw/zinc/36/36/91/771363691.db2.gz KTSHQRVAOLXMPQ-OWCLPIDISA-N 1 2 335.448 0.471 20 30 ECEDLO CO[C@@H]1C[N@H+]([C@H]2CCN(C(C)C)C2=O)C[C@H]1NC(=O)C#CC(C)C ZINC001212241105 771363696 /nfs/dbraw/zinc/36/36/96/771363696.db2.gz KTSHQRVAOLXMPQ-OWCLPIDISA-N 1 2 335.448 0.471 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@H]1CN(c2cc[nH+]c(C)n2)CCCO1 ZINC001089536397 771412466 /nfs/dbraw/zinc/41/24/66/771412466.db2.gz FZNSQUDFHVHYHQ-YOEHRIQHSA-N 1 2 334.420 0.824 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CCC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001056667251 771491171 /nfs/dbraw/zinc/49/11/71/771491171.db2.gz BPGRONUDYWOIPB-SOUVJXGZSA-N 1 2 344.415 0.440 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)nc1 ZINC000994634758 771497140 /nfs/dbraw/zinc/49/71/40/771497140.db2.gz ZUGNZMVGVRBDRQ-CQSZACIVSA-N 1 2 349.394 0.463 20 30 ECEDLO CO[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212244344 771503477 /nfs/dbraw/zinc/50/34/77/771503477.db2.gz PQDJKWDBNXKXMV-IAGOWNOFSA-N 1 2 347.459 0.474 20 30 ECEDLO CO[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212244344 771503480 /nfs/dbraw/zinc/50/34/80/771503480.db2.gz PQDJKWDBNXKXMV-IAGOWNOFSA-N 1 2 347.459 0.474 20 30 ECEDLO C=CCCOCC(=O)N1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001056681382 771508472 /nfs/dbraw/zinc/50/84/72/771508472.db2.gz HSZVDFUCUXWJLM-JKSUJKDBSA-N 1 2 346.431 0.925 20 30 ECEDLO C=CCOCC(=O)N1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001056682496 771509947 /nfs/dbraw/zinc/50/99/47/771509947.db2.gz BLDOLSPNRNAAPZ-LSDHHAIUSA-N 1 2 332.404 0.535 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)c3ncccc3O)C2)C1=O ZINC001031628604 771527481 /nfs/dbraw/zinc/52/74/81/771527481.db2.gz PVADMGBZPRLSBU-CYBMUJFWSA-N 1 2 330.388 0.236 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H](n2cc(C[NH2+][C@@H]3CCNC3=O)nn2)C1 ZINC001089585619 771589442 /nfs/dbraw/zinc/58/94/42/771589442.db2.gz APJYYDNBKXMXIV-ZIAGYGMSSA-N 1 2 346.435 0.242 20 30 ECEDLO Cc1cc(C#N)nc(N(C)[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)n1 ZINC001056998283 771926139 /nfs/dbraw/zinc/92/61/39/771926139.db2.gz UMZZNICUTMNJIZ-HNNXBMFYSA-N 1 2 339.403 0.981 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc[nH]n2)[C@H]1C ZINC001020079941 772133520 /nfs/dbraw/zinc/13/35/20/772133520.db2.gz ISMVCRNWJUYYKM-YDHLFZDLSA-N 1 2 329.404 0.227 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc[nH]n2)[C@H]1C ZINC001020079941 772133522 /nfs/dbraw/zinc/13/35/22/772133522.db2.gz ISMVCRNWJUYYKM-YDHLFZDLSA-N 1 2 329.404 0.227 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccn[nH]2)[C@H]1C ZINC001020079941 772133523 /nfs/dbraw/zinc/13/35/23/772133523.db2.gz ISMVCRNWJUYYKM-YDHLFZDLSA-N 1 2 329.404 0.227 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccn[nH]2)[C@H]1C ZINC001020079941 772133525 /nfs/dbraw/zinc/13/35/25/772133525.db2.gz ISMVCRNWJUYYKM-YDHLFZDLSA-N 1 2 329.404 0.227 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CCCN(c2ccc(C#N)nn2)CC1 ZINC001057263945 772370687 /nfs/dbraw/zinc/37/06/87/772370687.db2.gz YEIBIWDKHNZNBP-UHFFFAOYSA-N 1 2 339.403 0.753 20 30 ECEDLO C#CCCCC(=O)N(CCO)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001057446587 772623476 /nfs/dbraw/zinc/62/34/76/772623476.db2.gz FPBWKYFXZDVCSK-OAHLLOKOSA-N 1 2 334.420 0.575 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NCCN(CCO)C(=O)CCc1[nH]cc[nH+]1 ZINC001057459879 772646188 /nfs/dbraw/zinc/64/61/88/772646188.db2.gz OTBXBLIOZNBKPQ-KRWDZBQOSA-N 1 2 336.436 0.882 20 30 ECEDLO C#CCC1(C(=O)NCCN(CCO)C(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC001057460121 772646721 /nfs/dbraw/zinc/64/67/21/772646721.db2.gz UDHAPCQCDQHQMT-UHFFFAOYSA-N 1 2 346.431 0.473 20 30 ECEDLO CC#CCCCC(=O)NCCN(CCO)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001057711174 772935252 /nfs/dbraw/zinc/93/52/52/772935252.db2.gz LLCDYRJFXRIGDP-OAHLLOKOSA-N 1 2 348.447 0.719 20 30 ECEDLO CC#CCCCC(=O)NCCN(CCO)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001057711174 772935253 /nfs/dbraw/zinc/93/52/53/772935253.db2.gz LLCDYRJFXRIGDP-OAHLLOKOSA-N 1 2 348.447 0.719 20 30 ECEDLO C#CCC1(C(=O)N(CCO)CCNC(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC001057821902 773031885 /nfs/dbraw/zinc/03/18/85/773031885.db2.gz XPFVJNSOTPIMGF-UHFFFAOYSA-N 1 2 346.431 0.473 20 30 ECEDLO C#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001057940943 773229080 /nfs/dbraw/zinc/22/90/80/773229080.db2.gz BIBAIHKALDXSEN-HNNXBMFYSA-N 1 2 346.431 0.186 20 30 ECEDLO C=CCCC(=O)NCCN(CCO)C(=O)c1cccc2[nH+]ccn21 ZINC001058081258 773494505 /nfs/dbraw/zinc/49/45/05/773494505.db2.gz ATTBYZUMCFCGEU-UHFFFAOYSA-N 1 2 330.388 0.851 20 30 ECEDLO C=CCC(CC=C)C(=O)NC[C@]1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001039808934 783133660 /nfs/dbraw/zinc/13/36/60/783133660.db2.gz NUSNJYGIWLJCIO-GOSISDBHSA-N 1 2 346.431 0.800 20 30 ECEDLO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001058306093 773942665 /nfs/dbraw/zinc/94/26/65/773942665.db2.gz UTDSTSVBOSOIBR-CHWSQXEVSA-N 1 2 334.420 0.663 20 30 ECEDLO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001058306093 773942667 /nfs/dbraw/zinc/94/26/67/773942667.db2.gz UTDSTSVBOSOIBR-CHWSQXEVSA-N 1 2 334.420 0.663 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001058330153 773984316 /nfs/dbraw/zinc/98/43/16/773984316.db2.gz MCPQFVGBQBRSKJ-LLVKDONJSA-N 1 2 336.359 0.572 20 30 ECEDLO Cc1cc(C)c(C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)c(C)[nH+]1 ZINC001058344576 774008199 /nfs/dbraw/zinc/00/81/99/774008199.db2.gz HBQKUEQDZHOIOA-GFCCVEGCSA-N 1 2 332.404 0.717 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@]1(O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001040635039 783146195 /nfs/dbraw/zinc/14/61/95/783146195.db2.gz DHWJBHBGXYSWCD-PBHICJAKSA-N 1 2 334.420 0.565 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(c3[nH+]cnc4c3cnn4C)C2)cn1 ZINC001058407580 774123129 /nfs/dbraw/zinc/12/31/29/774123129.db2.gz PAXYYAOEKAPCOT-CQSZACIVSA-N 1 2 347.382 0.748 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(c2nc(C)cc(C#N)n2)C1 ZINC001058412927 774131872 /nfs/dbraw/zinc/13/18/72/774131872.db2.gz GTVILXXEMOCZDZ-GFCCVEGCSA-N 1 2 325.376 0.626 20 30 ECEDLO N#Cc1cnc(N2CC[C@H](NC(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)cn1 ZINC001058481315 774272467 /nfs/dbraw/zinc/27/24/67/774272467.db2.gz OJTKNSADWRCLNZ-OLZOCXBDSA-N 1 2 337.387 0.502 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001045059711 774912384 /nfs/dbraw/zinc/91/23/84/774912384.db2.gz VXBKGPBRMUFQRH-UONOGXRCSA-N 1 2 348.447 0.880 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001045059711 774912389 /nfs/dbraw/zinc/91/23/89/774912389.db2.gz VXBKGPBRMUFQRH-UONOGXRCSA-N 1 2 348.447 0.880 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001045068642 774928066 /nfs/dbraw/zinc/92/80/66/774928066.db2.gz IXSYEJDEWZZUAB-ZDUSSCGKSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NCC1(O)CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001045068642 774928069 /nfs/dbraw/zinc/92/80/69/774928069.db2.gz IXSYEJDEWZZUAB-ZDUSSCGKSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)CCO2 ZINC001068470842 790337447 /nfs/dbraw/zinc/33/74/47/790337447.db2.gz WCPBGZCSOYSZCN-CQSZACIVSA-N 1 2 346.431 0.994 20 30 ECEDLO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2[nH]ncc2F)[C@@H](n2ccnn2)C1 ZINC001070018770 790344782 /nfs/dbraw/zinc/34/47/82/790344782.db2.gz TYRJQBWWBUVTRV-OLZOCXBDSA-N 1 2 333.371 0.762 20 30 ECEDLO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2[nH]ncc2F)[C@@H](n2ccnn2)C1 ZINC001070018770 790344793 /nfs/dbraw/zinc/34/47/93/790344793.db2.gz TYRJQBWWBUVTRV-OLZOCXBDSA-N 1 2 333.371 0.762 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](C[C@H]3CCc4ncnn43)C2)nc1 ZINC001044202798 775912021 /nfs/dbraw/zinc/91/20/21/775912021.db2.gz DTXHBZBBMVJBAN-CQSZACIVSA-N 1 2 336.399 0.598 20 30 ECEDLO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001044470663 776330796 /nfs/dbraw/zinc/33/07/96/776330796.db2.gz RPYQXMHPRMXAMW-LBPRGKRZSA-N 1 2 346.431 0.731 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)C(=O)N2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070046815 790442741 /nfs/dbraw/zinc/44/27/41/790442741.db2.gz PXOMTCNSIYZGKM-CABCVRRESA-N 1 2 346.435 0.064 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)C(=O)N2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070046815 790442745 /nfs/dbraw/zinc/44/27/45/790442745.db2.gz PXOMTCNSIYZGKM-CABCVRRESA-N 1 2 346.435 0.064 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@@H]1O ZINC001044560251 776440277 /nfs/dbraw/zinc/44/02/77/776440277.db2.gz UGVVMNGCDXJJLX-WCVJEAGWSA-N 1 2 346.431 0.659 20 30 ECEDLO Cc1cc(C)c(C(=O)NCC2(O)CN(C(=O)[C@H](C)C#N)C2)c(C)[nH+]1 ZINC001044585193 776482118 /nfs/dbraw/zinc/48/21/18/776482118.db2.gz NNKBHGKAONECOW-LLVKDONJSA-N 1 2 330.388 0.470 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001079690628 776695321 /nfs/dbraw/zinc/69/53/21/776695321.db2.gz ZLUREYKSZPOQGQ-SCLBCKFNSA-N 1 2 348.447 0.975 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N(CC)C1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001079690628 776695329 /nfs/dbraw/zinc/69/53/29/776695329.db2.gz ZLUREYKSZPOQGQ-SCLBCKFNSA-N 1 2 348.447 0.975 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001079690629 776695721 /nfs/dbraw/zinc/69/57/21/776695721.db2.gz ZLUREYKSZPOQGQ-UGSOOPFHSA-N 1 2 348.447 0.975 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001079690629 776695723 /nfs/dbraw/zinc/69/57/23/776695723.db2.gz ZLUREYKSZPOQGQ-UGSOOPFHSA-N 1 2 348.447 0.975 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070067046 790494132 /nfs/dbraw/zinc/49/41/32/790494132.db2.gz CXDGMXGUYVLGIB-CABCVRRESA-N 1 2 339.403 0.557 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070067046 790494140 /nfs/dbraw/zinc/49/41/40/790494140.db2.gz CXDGMXGUYVLGIB-CABCVRRESA-N 1 2 339.403 0.557 20 30 ECEDLO C=CCOCC(=O)N1CC(N(CC)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001079852287 776977832 /nfs/dbraw/zinc/97/78/32/776977832.db2.gz DQIIASSULUOKCC-CYBMUJFWSA-N 1 2 334.420 0.850 20 30 ECEDLO C=CCOCC(=O)N1CC(N(CC)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001079852287 776977836 /nfs/dbraw/zinc/97/78/36/776977836.db2.gz DQIIASSULUOKCC-CYBMUJFWSA-N 1 2 334.420 0.850 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2cnn(CC)c2)[C@@H](n2ccnn2)C1 ZINC001070072364 790509481 /nfs/dbraw/zinc/50/94/81/790509481.db2.gz JRPPDOJNRBBQRQ-CVEARBPZSA-N 1 2 341.419 0.102 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2cnn(CC)c2)[C@@H](n2ccnn2)C1 ZINC001070072364 790509488 /nfs/dbraw/zinc/50/94/88/790509488.db2.gz JRPPDOJNRBBQRQ-CVEARBPZSA-N 1 2 341.419 0.102 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cn(C(C)C)nc2C)[C@@H](n2ccnn2)C1 ZINC001070073534 790512609 /nfs/dbraw/zinc/51/26/09/790512609.db2.gz LDAJKJJGGDLZKS-CVEARBPZSA-N 1 2 341.419 0.652 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C(C)C)nc2C)[C@@H](n2ccnn2)C1 ZINC001070073534 790512622 /nfs/dbraw/zinc/51/26/22/790512622.db2.gz LDAJKJJGGDLZKS-CVEARBPZSA-N 1 2 341.419 0.652 20 30 ECEDLO CCN(C(=O)Cc1[nH]c[nH+]c1C)C1CN(C(=O)CSCC#N)C1 ZINC001080199970 777544114 /nfs/dbraw/zinc/54/41/14/777544114.db2.gz XKRWDPDRLRXBEE-UHFFFAOYSA-N 1 2 335.433 0.577 20 30 ECEDLO C#CCCCC(=O)NCC1(NC(=O)CCc2[nH]cc[nH+]2)CCOCC1 ZINC001070094331 790581611 /nfs/dbraw/zinc/58/16/11/790581611.db2.gz KAWVBSYHAJWEDI-UHFFFAOYSA-N 1 2 346.431 0.927 20 30 ECEDLO C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001043226425 778004887 /nfs/dbraw/zinc/00/48/87/778004887.db2.gz VYYZVGVKWYKAMN-AWEZNQCLSA-N 1 2 346.431 0.471 20 30 ECEDLO C#CCCCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001043226425 778004899 /nfs/dbraw/zinc/00/48/99/778004899.db2.gz VYYZVGVKWYKAMN-AWEZNQCLSA-N 1 2 346.431 0.471 20 30 ECEDLO C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001043320331 778152806 /nfs/dbraw/zinc/15/28/06/778152806.db2.gz QRRQQZOXVWPYIE-CQSZACIVSA-N 1 2 346.431 0.491 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001043524949 778466125 /nfs/dbraw/zinc/46/61/25/778466125.db2.gz MIWQTDRWAPWZFJ-CYBMUJFWSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001043524949 778466129 /nfs/dbraw/zinc/46/61/29/778466129.db2.gz MIWQTDRWAPWZFJ-CYBMUJFWSA-N 1 2 334.420 0.634 20 30 ECEDLO C=CCCC(=O)N1CC2(C1)CC[C@H](CNC(=O)Cn1cc[nH+]c1)O2 ZINC001068591782 790655436 /nfs/dbraw/zinc/65/54/36/790655436.db2.gz XDTFTDNOOWAZSI-CQSZACIVSA-N 1 2 332.404 0.726 20 30 ECEDLO C=C1CC(C)(C(=O)N(C)C2C[NH+](C[C@H](O)CN3CCCC3=O)C2)C1 ZINC001043816564 778904613 /nfs/dbraw/zinc/90/46/13/778904613.db2.gz ZJPIAPCNHODCGX-HNNXBMFYSA-N 1 2 335.448 0.469 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)C2C[NH+](C[C@H]3CCc4ncnn43)C2)c1 ZINC001043820301 778911603 /nfs/dbraw/zinc/91/16/03/778911603.db2.gz OMAKVLHUWPAEJJ-OAHLLOKOSA-N 1 2 336.399 0.598 20 30 ECEDLO C[C@H](C#N)C(=O)NCC1(NC(=O)C[C@@H](C)n2cc[nH+]c2)CCOCC1 ZINC001070120027 790673832 /nfs/dbraw/zinc/67/38/32/790673832.db2.gz VBIARBBHXMUUOT-ZIAGYGMSSA-N 1 2 347.419 0.775 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001078533287 780095707 /nfs/dbraw/zinc/09/57/07/780095707.db2.gz HAUKWOIOWUINNI-CFVMTHIKSA-N 1 2 334.420 0.565 20 30 ECEDLO Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C23CCC3)n1 ZINC001078595843 780188731 /nfs/dbraw/zinc/18/87/31/780188731.db2.gz CPPJXQFVTBTJHZ-STQMWFEESA-N 1 2 340.391 0.241 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001078962729 780657652 /nfs/dbraw/zinc/65/76/52/780657652.db2.gz WHWPBLGXMOJENS-ZBFHGGJFSA-N 1 2 346.431 0.830 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnn(C)c2)C1 ZINC001079127336 780785862 /nfs/dbraw/zinc/78/58/62/780785862.db2.gz OSSDFWDLISLMDX-QZTJIDSGSA-N 1 2 338.411 0.741 20 30 ECEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cnn(C)c2)C1 ZINC001079127336 780785866 /nfs/dbraw/zinc/78/58/66/780785866.db2.gz OSSDFWDLISLMDX-QZTJIDSGSA-N 1 2 338.411 0.741 20 30 ECEDLO CO[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001042868760 780966316 /nfs/dbraw/zinc/96/63/16/780966316.db2.gz IUEOPLUXMXWVDB-HUUCEWRRSA-N 1 2 340.387 0.547 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 ZINC001042970570 781118284 /nfs/dbraw/zinc/11/82/84/781118284.db2.gz PTVSYLAIHLKTPM-CYBMUJFWSA-N 1 2 346.431 0.327 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1 ZINC001042970570 781118288 /nfs/dbraw/zinc/11/82/88/781118288.db2.gz PTVSYLAIHLKTPM-CYBMUJFWSA-N 1 2 346.431 0.327 20 30 ECEDLO CCn1nncc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001079543524 781247498 /nfs/dbraw/zinc/24/74/98/781247498.db2.gz GDKPDPZOXVWYHJ-IAQYHMDHSA-N 1 2 327.392 0.748 20 30 ECEDLO CCn1nncc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001079543524 781247505 /nfs/dbraw/zinc/24/75/05/781247505.db2.gz GDKPDPZOXVWYHJ-IAQYHMDHSA-N 1 2 327.392 0.748 20 30 ECEDLO CC(C)C#CC(=O)N1CC(O)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001043078304 781287641 /nfs/dbraw/zinc/28/76/41/781287641.db2.gz WUJWCQNLJVJRLJ-CQSZACIVSA-N 1 2 332.404 0.183 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3ocnc3C)C[C@H]2O)c1 ZINC001077649780 781423472 /nfs/dbraw/zinc/42/34/72/781423472.db2.gz FCMDCEYUUWNVNF-HUUCEWRRSA-N 1 2 326.356 0.334 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3ocnc3C)C[C@H]2O)c1 ZINC001077649780 781423483 /nfs/dbraw/zinc/42/34/83/781423483.db2.gz FCMDCEYUUWNVNF-HUUCEWRRSA-N 1 2 326.356 0.334 20 30 ECEDLO N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nc1 ZINC001041422224 781474045 /nfs/dbraw/zinc/47/40/45/781474045.db2.gz ZKHGDIIGWHZHDM-QHSBEEBCSA-N 1 2 338.371 0.146 20 30 ECEDLO N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nc1 ZINC001041422224 781474053 /nfs/dbraw/zinc/47/40/53/781474053.db2.gz ZKHGDIIGWHZHDM-QHSBEEBCSA-N 1 2 338.371 0.146 20 30 ECEDLO CN(c1nccnc1C#N)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001068684778 790897770 /nfs/dbraw/zinc/89/77/70/790897770.db2.gz KUVQBFZHGAYMFQ-UHFFFAOYSA-N 1 2 339.403 0.752 20 30 ECEDLO N#Cc1ccc(F)cc1CN1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001077746372 781637619 /nfs/dbraw/zinc/63/76/19/781637619.db2.gz OKGKOJLORCGHDC-HZPDHXFCSA-N 1 2 343.362 0.324 20 30 ECEDLO C[C@@H](CCNC(=O)CCc1[nH+]ccn1C)NC(=O)c1c[nH]c(C#N)c1 ZINC001077791129 781702447 /nfs/dbraw/zinc/70/24/47/781702447.db2.gz BHSUGBZWCSSEOV-LBPRGKRZSA-N 1 2 342.403 0.877 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@H]1O ZINC001077821887 781759053 /nfs/dbraw/zinc/75/90/53/781759053.db2.gz LXNFHQVWLLBRCW-HWMZRRJGSA-N 1 2 349.431 0.934 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@H]1O ZINC001077821887 781759060 /nfs/dbraw/zinc/75/90/60/781759060.db2.gz LXNFHQVWLLBRCW-HWMZRRJGSA-N 1 2 349.431 0.934 20 30 ECEDLO C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CNc1ccnc(C#N)n1 ZINC001039893957 783236941 /nfs/dbraw/zinc/23/69/41/783236941.db2.gz VJAKRNPATOLBRE-CHWSQXEVSA-N 1 2 339.403 0.632 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040696388 783287847 /nfs/dbraw/zinc/28/78/47/783287847.db2.gz LTAFDYADYCTGCR-DLBZAZTESA-N 1 2 334.420 0.634 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@](O)(CNC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001040696925 783289036 /nfs/dbraw/zinc/28/90/36/783289036.db2.gz OARAPKRMKBMKOO-KRWDZBQOSA-N 1 2 332.404 0.388 20 30 ECEDLO C=C1CCC(C(=O)NC[C@@]2(O)CCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001040807465 783476728 /nfs/dbraw/zinc/47/67/28/783476728.db2.gz SBYCOZMFYHABBG-SFHVURJKSA-N 1 2 346.431 0.778 20 30 ECEDLO C=C1CCC(C(=O)NC[C@]2(O)CCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001040807464 783476856 /nfs/dbraw/zinc/47/68/56/783476856.db2.gz SBYCOZMFYHABBG-GOSISDBHSA-N 1 2 346.431 0.778 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040813391 783489990 /nfs/dbraw/zinc/48/99/90/783489990.db2.gz QDFYKDFBLOHPCB-IRXDYDNUSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NC[C@]1(O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001040814677 783493355 /nfs/dbraw/zinc/49/33/55/783493355.db2.gz ZXVMYIOIRUQSGG-DLBZAZTESA-N 1 2 334.420 0.565 20 30 ECEDLO C=C1CC(C)(C(=O)NC[C@]2(O)CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001040850610 783559337 /nfs/dbraw/zinc/55/93/37/783559337.db2.gz OHQKNBYIZJKYPJ-QGZVFWFLSA-N 1 2 332.404 0.388 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC1(CNC(=O)C#CC2CC2)CCOCC1 ZINC001070183792 783612163 /nfs/dbraw/zinc/61/21/63/783612163.db2.gz VUWVISWVFXUJQQ-UHFFFAOYSA-N 1 2 344.415 0.456 20 30 ECEDLO C#CCCCC(=O)NCC1(NC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001070219207 783682422 /nfs/dbraw/zinc/68/24/22/783682422.db2.gz GLHYMXWBGLLGLU-UHFFFAOYSA-N 1 2 332.404 0.537 20 30 ECEDLO C[C@@H](C#N)C(=O)NC1(CNC(=O)CCc2c[nH]c[nH+]2)CCOCC1 ZINC001070233673 783710234 /nfs/dbraw/zinc/71/02/34/783710234.db2.gz BONZSHYXNVJDPX-LBPRGKRZSA-N 1 2 333.392 0.284 20 30 ECEDLO C[C@@H](C#N)C(=O)NC1(CNC(=O)CCc2c[nH+]c[nH]2)CCOCC1 ZINC001070233673 783710240 /nfs/dbraw/zinc/71/02/40/783710240.db2.gz BONZSHYXNVJDPX-LBPRGKRZSA-N 1 2 333.392 0.284 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)c2ccccc2O)C1=O ZINC001038070115 783815628 /nfs/dbraw/zinc/81/56/28/783815628.db2.gz DCOXPIYBMXWIKD-HIFRSBDPSA-N 1 2 329.400 0.983 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)c2ccccc2O)C1=O ZINC001038070115 783815630 /nfs/dbraw/zinc/81/56/30/783815630.db2.gz DCOXPIYBMXWIKD-HIFRSBDPSA-N 1 2 329.400 0.983 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)c2cccc(=O)[nH]2)C1=O ZINC001038134947 783901741 /nfs/dbraw/zinc/90/17/41/783901741.db2.gz URCXTCLJEPBIDF-OCCSQVGLSA-N 1 2 330.388 0.378 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)c2cccc(=O)[nH]2)C1=O ZINC001038134947 783901749 /nfs/dbraw/zinc/90/17/49/783901749.db2.gz URCXTCLJEPBIDF-OCCSQVGLSA-N 1 2 330.388 0.378 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)C1=O ZINC001038173055 783948682 /nfs/dbraw/zinc/94/86/82/783948682.db2.gz MFUUMWCXKBPERD-DZGCQCFKSA-N 1 2 327.388 0.477 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)C1=O ZINC001038173055 783948685 /nfs/dbraw/zinc/94/86/85/783948685.db2.gz MFUUMWCXKBPERD-DZGCQCFKSA-N 1 2 327.388 0.477 20 30 ECEDLO CC#CC[NH+]1CC2(C1)CN(C(=O)[C@H](C)OC)C[C@H]2c1nnc(C)[nH]1 ZINC001070441246 784080315 /nfs/dbraw/zinc/08/03/15/784080315.db2.gz RKWLRPGFMGIGJC-JSGCOSHPSA-N 1 2 331.420 0.399 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cnccn2)C1 ZINC001070902191 784080822 /nfs/dbraw/zinc/08/08/22/784080822.db2.gz XAKXESNHIYSCTL-YUELXQCFSA-N 1 2 343.387 0.382 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cnccn2)C1 ZINC001070902191 784080824 /nfs/dbraw/zinc/08/08/24/784080824.db2.gz XAKXESNHIYSCTL-YUELXQCFSA-N 1 2 343.387 0.382 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCO1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070441322 784081904 /nfs/dbraw/zinc/08/19/04/784081904.db2.gz SMMJIQQQYDPSLW-ZIAGYGMSSA-N 1 2 329.404 0.153 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cc[nH]c2)C1 ZINC001070913441 784103974 /nfs/dbraw/zinc/10/39/74/784103974.db2.gz LTOLJDSFUCDOOF-OAGGEKHMSA-N 1 2 342.399 0.758 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cc[nH]c2)C1 ZINC001070913441 784103981 /nfs/dbraw/zinc/10/39/81/784103981.db2.gz LTOLJDSFUCDOOF-OAGGEKHMSA-N 1 2 342.399 0.758 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC13CC3)C[C@H]2c1nnc(C)[nH]1 ZINC001070449571 784107236 /nfs/dbraw/zinc/10/72/36/784107236.db2.gz SZJAGABOWXDBER-KGLIPLIRSA-N 1 2 325.416 0.774 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001070918351 784112606 /nfs/dbraw/zinc/11/26/06/784112606.db2.gz BEZMROXDFJZDPH-LSDHHAIUSA-N 1 2 346.431 0.755 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(C)nnc2C)CC1 ZINC001070968146 784259553 /nfs/dbraw/zinc/25/95/53/784259553.db2.gz QCICSTKGBSMZDR-UHFFFAOYSA-N 1 2 343.431 0.381 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C)nnc2C)CC1 ZINC001070968146 784259555 /nfs/dbraw/zinc/25/95/55/784259555.db2.gz QCICSTKGBSMZDR-UHFFFAOYSA-N 1 2 343.431 0.381 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC001070969421 784264889 /nfs/dbraw/zinc/26/48/89/784264889.db2.gz QHSFPXXLNGNKPP-DOTOQJQBSA-N 1 2 337.464 0.884 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC001070969421 784264896 /nfs/dbraw/zinc/26/48/96/784264896.db2.gz QHSFPXXLNGNKPP-DOTOQJQBSA-N 1 2 337.464 0.884 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(OCC)n[nH]2)CC1 ZINC001070972850 784280332 /nfs/dbraw/zinc/28/03/32/784280332.db2.gz OWTJKNRPHHFWDP-UHFFFAOYSA-N 1 2 349.435 0.649 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2cc(OCC)n[nH]2)CC1 ZINC001070972850 784280342 /nfs/dbraw/zinc/28/03/42/784280342.db2.gz OWTJKNRPHHFWDP-UHFFFAOYSA-N 1 2 349.435 0.649 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@@H](C)c2cnn(C)c2)CC1 ZINC001070979899 784304909 /nfs/dbraw/zinc/30/49/09/784304909.db2.gz DVIVWUJMGPNVOA-OAHLLOKOSA-N 1 2 347.463 0.750 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C[C@@H](C)c2cnn(C)c2)CC1 ZINC001070979899 784304918 /nfs/dbraw/zinc/30/49/18/784304918.db2.gz DVIVWUJMGPNVOA-OAHLLOKOSA-N 1 2 347.463 0.750 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2nccn2C)CC1 ZINC001070982765 784314966 /nfs/dbraw/zinc/31/49/66/784314966.db2.gz LQRSJOSKBLEHIX-UHFFFAOYSA-N 1 2 333.436 0.189 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCc2nccn2C)CC1 ZINC001070982765 784314974 /nfs/dbraw/zinc/31/49/74/784314974.db2.gz LQRSJOSKBLEHIX-UHFFFAOYSA-N 1 2 333.436 0.189 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2ncccc2OC)CC1 ZINC001070992402 784345044 /nfs/dbraw/zinc/34/50/44/784345044.db2.gz HKNKQOSGFMUXMJ-UHFFFAOYSA-N 1 2 346.431 0.469 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2ncccc2OC)CC1 ZINC001070992402 784345051 /nfs/dbraw/zinc/34/50/51/784345051.db2.gz HKNKQOSGFMUXMJ-UHFFFAOYSA-N 1 2 346.431 0.469 20 30 ECEDLO C[C@H](CC(=O)N1CCC(=O)NCCN(CC#N)CC1)n1cc[nH+]c1 ZINC001071004541 784381689 /nfs/dbraw/zinc/38/16/89/784381689.db2.gz JYKLIKKSNCTJDW-CQSZACIVSA-N 1 2 332.408 0.008 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)c2cnn(CC)c2C)CC1 ZINC001071010551 784404098 /nfs/dbraw/zinc/40/40/98/784404098.db2.gz QZLBZMNWBXZSEL-UHFFFAOYSA-N 1 2 333.436 0.662 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)c2cnn(CC)c2C)CC1 ZINC001071010551 784404104 /nfs/dbraw/zinc/40/41/04/784404104.db2.gz QZLBZMNWBXZSEL-UHFFFAOYSA-N 1 2 333.436 0.662 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2cnn3cc[nH]c23)CC1 ZINC001071017259 784430001 /nfs/dbraw/zinc/43/00/01/784430001.db2.gz NWKXIKWPDTYODL-UHFFFAOYSA-N 1 2 344.419 0.503 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2cnn3cc[nH]c23)CC1 ZINC001071017259 784430005 /nfs/dbraw/zinc/43/00/05/784430005.db2.gz NWKXIKWPDTYODL-UHFFFAOYSA-N 1 2 344.419 0.503 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)CCc2cncn2C)CC1 ZINC001071018507 784433131 /nfs/dbraw/zinc/43/31/31/784433131.db2.gz VYEJEEGMTMESIY-UHFFFAOYSA-N 1 2 347.463 0.579 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)CCc2cncn2C)CC1 ZINC001071018507 784433136 /nfs/dbraw/zinc/43/31/36/784433136.db2.gz VYEJEEGMTMESIY-UHFFFAOYSA-N 1 2 347.463 0.579 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CCn2cccn2)C[C@H]1NCC#N ZINC001070624696 784453433 /nfs/dbraw/zinc/45/34/33/784453433.db2.gz DWZNXERCEIXNEH-ZIAGYGMSSA-N 1 2 327.392 0.114 20 30 ECEDLO CCn1nnc(C)c1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070655448 784507422 /nfs/dbraw/zinc/50/74/22/784507422.db2.gz MKIMOOQYBSRTLF-CHWSQXEVSA-N 1 2 342.407 0.061 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001071088843 784532241 /nfs/dbraw/zinc/53/22/41/784532241.db2.gz RVEYMYRCANDGBV-OAHLLOKOSA-N 1 2 346.431 0.500 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001070728206 784608331 /nfs/dbraw/zinc/60/83/31/784608331.db2.gz KVJDXPQLFMLRHR-CQSZACIVSA-N 1 2 332.404 0.408 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001070741054 784639961 /nfs/dbraw/zinc/63/99/61/784639961.db2.gz UUDUKOQAUMRLSI-JKSUJKDBSA-N 1 2 346.431 0.981 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)c1nnn(C)n1)C[C@H](C)O2 ZINC001071197207 784716235 /nfs/dbraw/zinc/71/62/35/784716235.db2.gz OPNVXTLMCWMUDR-FZMZJTMJSA-N 1 2 340.815 0.268 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nnn(C)n1)C[C@H](C)O2 ZINC001071197207 784716243 /nfs/dbraw/zinc/71/62/43/784716243.db2.gz OPNVXTLMCWMUDR-FZMZJTMJSA-N 1 2 340.815 0.268 20 30 ECEDLO C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@@H](C)O2 ZINC001071216499 784757756 /nfs/dbraw/zinc/75/77/56/784757756.db2.gz RELJGVSJTFAUIT-CJNGLKHVSA-N 1 2 344.477 0.687 20 30 ECEDLO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@@H](C)O2 ZINC001071216499 784757761 /nfs/dbraw/zinc/75/77/61/784757761.db2.gz RELJGVSJTFAUIT-CJNGLKHVSA-N 1 2 344.477 0.687 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C(C)(C)F)C1 ZINC001070900757 784809359 /nfs/dbraw/zinc/80/93/59/784809359.db2.gz WUONDUFCMDSCQQ-MJBXVCDLSA-N 1 2 337.395 0.864 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C(C)(C)F)C1 ZINC001070900757 784809366 /nfs/dbraw/zinc/80/93/66/784809366.db2.gz WUONDUFCMDSCQQ-MJBXVCDLSA-N 1 2 337.395 0.864 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@H](OC)C(C)C)C2)C(=O)C1 ZINC001071272358 784906204 /nfs/dbraw/zinc/90/62/04/784906204.db2.gz MNRPVUFWNWQGHB-SJLPKXTDSA-N 1 2 349.475 0.816 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@H](OC)C(C)C)C2)C(=O)C1 ZINC001071272358 784906208 /nfs/dbraw/zinc/90/62/08/784906208.db2.gz MNRPVUFWNWQGHB-SJLPKXTDSA-N 1 2 349.475 0.816 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)Cc3ccco3)C2)C(=O)C1 ZINC001071277574 784924421 /nfs/dbraw/zinc/92/44/21/784924421.db2.gz YWJGMJJGDMZKMI-MRXNPFEDSA-N 1 2 343.427 0.981 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)Cc3ccco3)C2)C(=O)C1 ZINC001071277574 784924429 /nfs/dbraw/zinc/92/44/29/784924429.db2.gz YWJGMJJGDMZKMI-MRXNPFEDSA-N 1 2 343.427 0.981 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3cncn3C)C2)nn1 ZINC001071880189 785263664 /nfs/dbraw/zinc/26/36/64/785263664.db2.gz PUEAGEDDMNKQFP-KGLIPLIRSA-N 1 2 343.435 0.981 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3cncn3C)C2)nn1 ZINC001071880189 785263666 /nfs/dbraw/zinc/26/36/66/785263666.db2.gz PUEAGEDDMNKQFP-KGLIPLIRSA-N 1 2 343.435 0.981 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2CC(=O)NC(=O)C2)CC[C@@H]1C ZINC001071894228 785286285 /nfs/dbraw/zinc/28/62/85/785286285.db2.gz XJSAFZLMRCWCQC-CMPLNLGQSA-N 1 2 327.812 0.761 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2CC(=O)NC(=O)C2)CC[C@@H]1C ZINC001071894228 785286291 /nfs/dbraw/zinc/28/62/91/785286291.db2.gz XJSAFZLMRCWCQC-CMPLNLGQSA-N 1 2 327.812 0.761 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1COC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001068764428 791098811 /nfs/dbraw/zinc/09/88/11/791098811.db2.gz QJOCEHIQADURSF-ZDUSSCGKSA-N 1 2 348.403 0.031 20 30 ECEDLO C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001071922313 785340420 /nfs/dbraw/zinc/34/04/20/785340420.db2.gz SCFXXRDKYSZPHR-SWLSCSKDSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC001071661254 785471801 /nfs/dbraw/zinc/47/18/01/785471801.db2.gz HWNRAWUVFVEJSM-YPMHNXCESA-N 1 2 335.433 0.182 20 30 ECEDLO C=CCCOCC(=O)N1C[C@H](NC(=O)CCn2cc[nH+]c2)[C@@H](C)C1 ZINC001072338722 786043731 /nfs/dbraw/zinc/04/37/31/786043731.db2.gz HSSCTGYKXNMEIN-GJZGRUSLSA-N 1 2 334.420 0.829 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1NC(=O)CSCC#N ZINC001072430688 786173641 /nfs/dbraw/zinc/17/36/41/786173641.db2.gz XEVLHWQSFLRGAP-DGCLKSJQSA-N 1 2 335.433 0.182 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001072452644 786205459 /nfs/dbraw/zinc/20/54/59/786205459.db2.gz DQNSWECHKAFCTC-CABCVRRESA-N 1 2 332.404 0.276 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1NC(=O)C#CC1CC1 ZINC001072510908 786302841 /nfs/dbraw/zinc/30/28/41/786302841.db2.gz SVJOTJLHAUINJU-UKRRQHHQSA-N 1 2 328.416 0.729 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1NC(=O)CSCC#N ZINC001072513891 786309110 /nfs/dbraw/zinc/30/91/10/786309110.db2.gz UCTGYAUFDGFZRO-TZMCWYRMSA-N 1 2 349.460 0.573 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccn(CC)n3)C[C@H]21 ZINC001074244880 786499148 /nfs/dbraw/zinc/49/91/48/786499148.db2.gz KREWTUFTVZZMJF-IAGOWNOFSA-N 1 2 330.432 0.771 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccn(CC)n3)C[C@H]21 ZINC001074244880 786499150 /nfs/dbraw/zinc/49/91/50/786499150.db2.gz KREWTUFTVZZMJF-IAGOWNOFSA-N 1 2 330.432 0.771 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCn3ccccc3=O)C[C@@H]21 ZINC001074257019 786529155 /nfs/dbraw/zinc/52/91/55/786529155.db2.gz XZYJEEDPHRLVTM-DLBZAZTESA-N 1 2 343.427 0.563 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCn3ccccc3=O)C[C@@H]21 ZINC001074257019 786529161 /nfs/dbraw/zinc/52/91/61/786529161.db2.gz XZYJEEDPHRLVTM-DLBZAZTESA-N 1 2 343.427 0.563 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnn4c3OCCC4)C[C@H]21 ZINC001074287475 786600500 /nfs/dbraw/zinc/60/05/00/786600500.db2.gz YHIBMQDDEVOUJG-CVEARBPZSA-N 1 2 344.415 0.604 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnn4c3OCCC4)C[C@H]21 ZINC001074287475 786600508 /nfs/dbraw/zinc/60/05/08/786600508.db2.gz YHIBMQDDEVOUJG-CVEARBPZSA-N 1 2 344.415 0.604 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc4ncnn43)C[C@@H]21 ZINC001074289228 786603569 /nfs/dbraw/zinc/60/35/69/786603569.db2.gz PQPOKGBGGGDEFR-HOTGVXAUSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc4ncnn43)C[C@@H]21 ZINC001074289228 786603575 /nfs/dbraw/zinc/60/35/75/786603575.db2.gz PQPOKGBGGGDEFR-HOTGVXAUSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccnc(OC)n3)C[C@@H]21 ZINC001074293699 786613209 /nfs/dbraw/zinc/61/32/09/786613209.db2.gz BUKKGRLEDLKOLS-LSDHHAIUSA-N 1 2 330.388 0.424 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccnc(OC)n3)C[C@@H]21 ZINC001074293699 786613214 /nfs/dbraw/zinc/61/32/14/786613214.db2.gz BUKKGRLEDLKOLS-LSDHHAIUSA-N 1 2 330.388 0.424 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccc(=O)[nH]c3)C[C@@H]21 ZINC001074298851 786627141 /nfs/dbraw/zinc/62/71/41/786627141.db2.gz CCQFYBJMLXUOJM-JKSUJKDBSA-N 1 2 329.400 0.655 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccc(=O)[nH]c3)C[C@@H]21 ZINC001074298851 786627144 /nfs/dbraw/zinc/62/71/44/786627144.db2.gz CCQFYBJMLXUOJM-JKSUJKDBSA-N 1 2 329.400 0.655 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3nccn3C)C[C@H]21 ZINC001074302092 786632273 /nfs/dbraw/zinc/63/22/73/786632273.db2.gz LDFSGSFSXLFIMQ-HZPDHXFCSA-N 1 2 330.432 0.678 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3nccn3C)C[C@H]21 ZINC001074302092 786632281 /nfs/dbraw/zinc/63/22/81/786632281.db2.gz LDFSGSFSXLFIMQ-HZPDHXFCSA-N 1 2 330.432 0.678 20 30 ECEDLO Cn1nncc1C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001073574203 786653084 /nfs/dbraw/zinc/65/30/84/786653084.db2.gz MIEPCFXSDVIAJE-AWEZNQCLSA-N 1 2 343.391 0.036 20 30 ECEDLO Cn1nncc1C[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001073574203 786653089 /nfs/dbraw/zinc/65/30/89/786653089.db2.gz MIEPCFXSDVIAJE-AWEZNQCLSA-N 1 2 343.391 0.036 20 30 ECEDLO Cn1ccc(C[N@@H+]2CCCO[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001073577339 786662663 /nfs/dbraw/zinc/66/26/63/786662663.db2.gz YROMFUJOAJLMNT-INIZCTEOSA-N 1 2 342.403 0.641 20 30 ECEDLO Cn1ccc(C[N@H+]2CCCO[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001073577339 786662668 /nfs/dbraw/zinc/66/26/68/786662668.db2.gz YROMFUJOAJLMNT-INIZCTEOSA-N 1 2 342.403 0.641 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccnc(OC)c3)C[C@H]21 ZINC001074338004 786702788 /nfs/dbraw/zinc/70/27/88/786702788.db2.gz GVRIFSFJJQJBRV-IAGOWNOFSA-N 1 2 343.427 0.958 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccnc(OC)c3)C[C@H]21 ZINC001074338004 786702790 /nfs/dbraw/zinc/70/27/90/786702790.db2.gz GVRIFSFJJQJBRV-IAGOWNOFSA-N 1 2 343.427 0.958 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3nnnc3C(C)C)C[C@H]21 ZINC001074354393 786739109 /nfs/dbraw/zinc/73/91/09/786739109.db2.gz POVKXOKXJVGTKS-HUUCEWRRSA-N 1 2 346.435 0.122 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3nnnc3C(C)C)C[C@H]21 ZINC001074354393 786739112 /nfs/dbraw/zinc/73/91/12/786739112.db2.gz POVKXOKXJVGTKS-HUUCEWRRSA-N 1 2 346.435 0.122 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@H]21 ZINC001074369124 786776857 /nfs/dbraw/zinc/77/68/57/786776857.db2.gz QMBVHEMKODFHRR-HUUCEWRRSA-N 1 2 330.388 0.052 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@H]21 ZINC001074369124 786776862 /nfs/dbraw/zinc/77/68/62/786776862.db2.gz QMBVHEMKODFHRR-HUUCEWRRSA-N 1 2 330.388 0.052 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC(=O)N(CC)C2)C1 ZINC001073629732 786810257 /nfs/dbraw/zinc/81/02/57/786810257.db2.gz DWLUIUZKVJNCIS-ZIAGYGMSSA-N 1 2 343.855 0.814 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC(=O)N(CC)C2)C1 ZINC001073629732 786810263 /nfs/dbraw/zinc/81/02/63/786810263.db2.gz DWLUIUZKVJNCIS-ZIAGYGMSSA-N 1 2 343.855 0.814 20 30 ECEDLO C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC001073631851 786820112 /nfs/dbraw/zinc/82/01/12/786820112.db2.gz URIMWWVVMPTMKE-KBPBESRZSA-N 1 2 330.450 0.347 20 30 ECEDLO C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC001073631851 786820118 /nfs/dbraw/zinc/82/01/18/786820118.db2.gz URIMWWVVMPTMKE-KBPBESRZSA-N 1 2 330.450 0.347 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3CCN(C(N)=O)CC3)C[C@H]21 ZINC001074402041 786863798 /nfs/dbraw/zinc/86/37/98/786863798.db2.gz CDBSTFCWXKYZRI-HZPDHXFCSA-N 1 2 348.447 0.102 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CCN(C(N)=O)CC3)C[C@H]21 ZINC001074402041 786863815 /nfs/dbraw/zinc/86/38/15/786863815.db2.gz CDBSTFCWXKYZRI-HZPDHXFCSA-N 1 2 348.447 0.102 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)/C(C)=C\C)CC1 ZINC001074539109 787208122 /nfs/dbraw/zinc/20/81/22/787208122.db2.gz DXDFKWKKNMNEOE-DNBBOTNYSA-N 1 2 347.459 0.520 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)/C(C)=C\C)CC1 ZINC001074539109 787208129 /nfs/dbraw/zinc/20/81/29/787208129.db2.gz DXDFKWKKNMNEOE-DNBBOTNYSA-N 1 2 347.459 0.520 20 30 ECEDLO C#CCCCCC(=O)N1CCC(O)(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001074555355 787248395 /nfs/dbraw/zinc/24/83/95/787248395.db2.gz XCMCFKHINIYHDN-UHFFFAOYSA-N 1 2 346.431 0.546 20 30 ECEDLO C#CCCCCC(=O)N1CCC(O)(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001074555269 787248713 /nfs/dbraw/zinc/24/87/13/787248713.db2.gz SZZGMZAXFWRDSB-UHFFFAOYSA-N 1 2 346.431 0.616 20 30 ECEDLO C=C(C)CCC(=O)N1CCC(O)(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001074609573 787384318 /nfs/dbraw/zinc/38/43/18/787384318.db2.gz RHIYFXQOEGWGBH-UHFFFAOYSA-N 1 2 334.420 0.709 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001073911385 787508845 /nfs/dbraw/zinc/50/88/45/787508845.db2.gz PDDNVFNUJHPVGI-STQMWFEESA-N 1 2 344.843 0.489 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001073911385 787508854 /nfs/dbraw/zinc/50/88/54/787508854.db2.gz PDDNVFNUJHPVGI-STQMWFEESA-N 1 2 344.843 0.489 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001073927005 787539137 /nfs/dbraw/zinc/53/91/37/787539137.db2.gz NMKHYNIUQSJXKI-CABCVRRESA-N 1 2 346.431 0.735 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC(O)(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001074680157 787576623 /nfs/dbraw/zinc/57/66/23/787576623.db2.gz OSKSGXYRTOADMD-KGLIPLIRSA-N 1 2 348.447 0.880 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)C(C)(C)C)CC1 ZINC001074726417 787704155 /nfs/dbraw/zinc/70/41/55/787704155.db2.gz PAAGGKOYBAXZFC-HNNXBMFYSA-N 1 2 349.475 0.600 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)C(C)(C)C)CC1 ZINC001074726417 787704157 /nfs/dbraw/zinc/70/41/57/787704157.db2.gz PAAGGKOYBAXZFC-HNNXBMFYSA-N 1 2 349.475 0.600 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001074024539 787708293 /nfs/dbraw/zinc/70/82/93/787708293.db2.gz FPRXSINBJRBBOL-GDBMZVCRSA-N 1 2 346.431 0.735 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001074024539 787708296 /nfs/dbraw/zinc/70/82/96/787708296.db2.gz FPRXSINBJRBBOL-GDBMZVCRSA-N 1 2 346.431 0.735 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC001074076576 787816224 /nfs/dbraw/zinc/81/62/24/787816224.db2.gz HUGFRHKYSFDDMO-HOCLYGCPSA-N 1 2 346.431 0.356 20 30 ECEDLO CCn1ncc(C[N@@H+]2CCC3(CN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n1 ZINC001072592713 788386968 /nfs/dbraw/zinc/38/69/68/788386968.db2.gz NFYFVVDDIZOJTB-UHFFFAOYSA-N 1 2 339.403 0.846 20 30 ECEDLO CCn1ncc(C[N@H+]2CCC3(CN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n1 ZINC001072592713 788386980 /nfs/dbraw/zinc/38/69/80/788386980.db2.gz NFYFVVDDIZOJTB-UHFFFAOYSA-N 1 2 339.403 0.846 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)CSCC#N)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001074842431 788415359 /nfs/dbraw/zinc/41/53/59/788415359.db2.gz AQNGOPUACFLMPQ-RYUDHWBXSA-N 1 2 335.433 0.705 20 30 ECEDLO CCn1cc(C[N@@H+]2CCC3(CN(C(=O)c4ccc(C#N)[nH]4)C3)C2)nn1 ZINC001072635455 788476197 /nfs/dbraw/zinc/47/61/97/788476197.db2.gz RACOGSDRLFYBAF-UHFFFAOYSA-N 1 2 339.403 0.846 20 30 ECEDLO CCn1cc(C[N@H+]2CCC3(CN(C(=O)c4ccc(C#N)[nH]4)C3)C2)nn1 ZINC001072635455 788476205 /nfs/dbraw/zinc/47/62/05/788476205.db2.gz RACOGSDRLFYBAF-UHFFFAOYSA-N 1 2 339.403 0.846 20 30 ECEDLO Cn1ncc(C[N@@H+]2CCC3(CN(C(=O)c4c[nH]c(C#N)c4)C3)C2)n1 ZINC001072639883 788483997 /nfs/dbraw/zinc/48/39/97/788483997.db2.gz WWOVAUGHUWPXNQ-UHFFFAOYSA-N 1 2 325.376 0.363 20 30 ECEDLO Cn1ncc(C[N@H+]2CCC3(CN(C(=O)c4c[nH]c(C#N)c4)C3)C2)n1 ZINC001072639883 788484002 /nfs/dbraw/zinc/48/40/02/788484002.db2.gz WWOVAUGHUWPXNQ-UHFFFAOYSA-N 1 2 325.376 0.363 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC001074992808 788683609 /nfs/dbraw/zinc/68/36/09/788683609.db2.gz JKVPRYAKYFKVAF-UONOGXRCSA-N 1 2 332.404 0.488 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001075088874 788887011 /nfs/dbraw/zinc/88/70/11/788887011.db2.gz OGOSZECOAUVNRU-JSGCOSHPSA-N 1 2 334.420 0.959 20 30 ECEDLO CC#CC[N@@H+]1CCC2(CN(C(=O)CS(=O)(=O)C3CCCC3)C2)C1 ZINC001072857481 788974615 /nfs/dbraw/zinc/97/46/15/788974615.db2.gz AYDRRJKAPVNJBS-UHFFFAOYSA-N 1 2 338.473 0.901 20 30 ECEDLO CC#CC[N@H+]1CCC2(CN(C(=O)CS(=O)(=O)C3CCCC3)C2)C1 ZINC001072857481 788974619 /nfs/dbraw/zinc/97/46/19/788974619.db2.gz AYDRRJKAPVNJBS-UHFFFAOYSA-N 1 2 338.473 0.901 20 30 ECEDLO C=C1CCC(C(=O)N2CC3(C2)CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C3)CC1 ZINC001072946733 789149738 /nfs/dbraw/zinc/14/97/38/789149738.db2.gz ORAMCBKTOVDZRD-UHFFFAOYSA-N 1 2 345.447 0.889 20 30 ECEDLO C=C1CCC(C(=O)N2CC3(C2)CC[N@H+](Cc2nc(=O)n(C)[nH]2)C3)CC1 ZINC001072946733 789149741 /nfs/dbraw/zinc/14/97/41/789149741.db2.gz ORAMCBKTOVDZRD-UHFFFAOYSA-N 1 2 345.447 0.889 20 30 ECEDLO N#Cc1cnc(N2CC[C@@]3(NC(=O)Cc4[nH]cc[nH+]4)CCC[C@@H]23)cn1 ZINC001069270800 789721595 /nfs/dbraw/zinc/72/15/95/789721595.db2.gz HFACQRAVXQXXSE-DYVFJYSZSA-N 1 2 337.387 0.932 20 30 ECEDLO N#Cc1nccc(N2CC[C@]3(NC(=O)Cc4[nH]cc[nH+]4)CCC[C@H]23)n1 ZINC001069271746 789723140 /nfs/dbraw/zinc/72/31/40/789723140.db2.gz WHTPROXNBLBKDV-YVEFUNNKSA-N 1 2 337.387 0.932 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](Nc2ccnc(C#N)n2)C(C)(C)C1 ZINC001069579226 789915655 /nfs/dbraw/zinc/91/56/55/789915655.db2.gz AGJUCVUAWBNFSQ-CYBMUJFWSA-N 1 2 339.403 0.693 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CCNC(=O)C3)c2C1 ZINC001069857373 790106712 /nfs/dbraw/zinc/10/67/12/790106712.db2.gz PCSKRAMWSHNYLB-CYBMUJFWSA-N 1 2 331.420 0.417 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CCNC(=O)C3)c2C1 ZINC001069857373 790106714 /nfs/dbraw/zinc/10/67/14/790106714.db2.gz PCSKRAMWSHNYLB-CYBMUJFWSA-N 1 2 331.420 0.417 20 30 ECEDLO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)C(F)F)[C@@H](n3ccnn3)C2)c1 ZINC001069887870 790155960 /nfs/dbraw/zinc/15/59/60/790155960.db2.gz UPLKYFHJXFANPY-KGLIPLIRSA-N 1 2 346.341 0.957 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)C(F)F)[C@@H](n3ccnn3)C2)c1 ZINC001069887870 790155961 /nfs/dbraw/zinc/15/59/61/790155961.db2.gz UPLKYFHJXFANPY-KGLIPLIRSA-N 1 2 346.341 0.957 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]2n2ccnn2)c1 ZINC001069906050 790175856 /nfs/dbraw/zinc/17/58/56/790175856.db2.gz CRTAEVSGXZOLHH-FGPRAXNPSA-N 1 2 345.794 0.886 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]2n2ccnn2)c1 ZINC001069906050 790175858 /nfs/dbraw/zinc/17/58/58/790175858.db2.gz CRTAEVSGXZOLHH-FGPRAXNPSA-N 1 2 345.794 0.886 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3n[nH]cc32)[C@@H](n2ccnn2)C1 ZINC001069927252 790198564 /nfs/dbraw/zinc/19/85/64/790198564.db2.gz RELMNJLTRXJZGA-WQVCFCJDSA-N 1 2 339.403 0.096 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3n[nH]cc32)[C@@H](n2ccnn2)C1 ZINC001069927252 790198568 /nfs/dbraw/zinc/19/85/68/790198568.db2.gz RELMNJLTRXJZGA-WQVCFCJDSA-N 1 2 339.403 0.096 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cncc(Cl)c2C)[C@@H](n2ccnn2)C1 ZINC001069950458 790230373 /nfs/dbraw/zinc/23/03/73/790230373.db2.gz VEEYUQVOGALCBR-CABCVRRESA-N 1 2 344.806 0.923 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cncc(Cl)c2C)[C@@H](n2ccnn2)C1 ZINC001069950458 790230377 /nfs/dbraw/zinc/23/03/77/790230377.db2.gz VEEYUQVOGALCBR-CABCVRRESA-N 1 2 344.806 0.923 20 30 ECEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2CC)[C@@H](n2ccnn2)C1 ZINC001069967149 790254427 /nfs/dbraw/zinc/25/44/27/790254427.db2.gz QHAWGVMLEJFYIX-CABCVRRESA-N 1 2 329.408 0.795 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2CC)[C@@H](n2ccnn2)C1 ZINC001069967149 790254433 /nfs/dbraw/zinc/25/44/33/790254433.db2.gz QHAWGVMLEJFYIX-CABCVRRESA-N 1 2 329.408 0.795 20 30 ECEDLO C#CCCCC(=O)N[C@H]1COC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001068836566 791230225 /nfs/dbraw/zinc/23/02/25/791230225.db2.gz JATWGNIBENPZJG-CQSZACIVSA-N 1 2 344.415 0.252 20 30 ECEDLO C[C@H]1[C@H](Nc2nccnc2C#N)CCN1C(=O)Cc1c[nH+]cn1C ZINC001068872847 791315861 /nfs/dbraw/zinc/31/58/61/791315861.db2.gz RJLQHWLXFYEQFI-WCQYABFASA-N 1 2 325.376 0.726 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N[C@@H]1COC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001068911082 791400053 /nfs/dbraw/zinc/40/00/53/791400053.db2.gz QZJBSQZTJOCLEX-JSGCOSHPSA-N 1 2 348.403 0.029 20 30 ECEDLO CC#CCCCC(=O)N[C@H]1COC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001068973388 791529694 /nfs/dbraw/zinc/52/96/94/791529694.db2.gz SMDVPEYYQRUDKS-OAHLLOKOSA-N 1 2 344.415 0.632 20 30 ECEDLO N#Cc1ccc(NC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CCO2)nc1 ZINC001066688048 791993046 /nfs/dbraw/zinc/99/30/46/791993046.db2.gz SEVGBCAJDIOLRC-HNNXBMFYSA-N 1 2 340.387 0.948 20 30 ECEDLO N#Cc1ccc(NC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CCO2)nc1 ZINC001066688048 791993053 /nfs/dbraw/zinc/99/30/53/791993053.db2.gz SEVGBCAJDIOLRC-HNNXBMFYSA-N 1 2 340.387 0.948 20 30 ECEDLO Cc1cc(N2CC[NH+]([C@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)ncn1 ZINC001066698015 792015802 /nfs/dbraw/zinc/01/58/02/792015802.db2.gz GLWQTKNQJXFETK-ZFWWWQNUSA-N 1 2 328.420 0.668 20 30 ECEDLO N#Cc1nccnc1N1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001066753837 792103871 /nfs/dbraw/zinc/10/38/71/792103871.db2.gz POAFIWCDQIGPNR-ZDUSSCGKSA-N 1 2 325.376 0.720 20 30 ECEDLO C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001067705107 792160645 /nfs/dbraw/zinc/16/06/45/792160645.db2.gz GSKIHNUTEQJPGU-UONOGXRCSA-N 1 2 331.420 0.912 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1)c1cncc(C#N)n1 ZINC001067772074 792260802 /nfs/dbraw/zinc/26/08/02/792260802.db2.gz MQANEWOSJQCNQE-ZDUSSCGKSA-N 1 2 325.376 0.741 20 30 ECEDLO C[C@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067963147 792512308 /nfs/dbraw/zinc/51/23/08/792512308.db2.gz KQVDHALSEUNWSD-WFASDCNBSA-N 1 2 339.403 0.655 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)CC[C@H]1C ZINC001067963888 792513841 /nfs/dbraw/zinc/51/38/41/792513841.db2.gz WAHVRQLQNCFUKV-BXUZGUMPSA-N 1 2 339.403 0.954 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CN(c2nccnc2C#N)CC1(C)C ZINC001068117905 792701349 /nfs/dbraw/zinc/70/13/49/792701349.db2.gz LPBWHFZCMAVNRD-AWEZNQCLSA-N 1 2 339.403 0.954 20 30 ECEDLO Cc1cc(C#N)nc(N[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)n1 ZINC001067114169 792711019 /nfs/dbraw/zinc/71/10/19/792711019.db2.gz PQPDDJMRDLMMTR-SMDDNHRTSA-N 1 2 325.376 0.812 20 30 ECEDLO CC1(C)CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001068140018 792735899 /nfs/dbraw/zinc/73/58/99/792735899.db2.gz NJESVSXKQRLGBH-GFCCVEGCSA-N 1 2 325.376 0.645 20 30 ECEDLO CN(CCCN(C)C(=O)c1c[nH]c(C#N)c1)C(=O)Cc1c[nH+]c[nH]1 ZINC001067239072 792866882 /nfs/dbraw/zinc/86/68/82/792866882.db2.gz AFTWBRWQAFXMOF-UHFFFAOYSA-N 1 2 328.376 0.773 20 30 ECEDLO C[C@H](Nc1cncc(C#N)n1)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001068235967 792891942 /nfs/dbraw/zinc/89/19/42/792891942.db2.gz ZNSCWBHIZUVTBN-JSGCOSHPSA-N 1 2 341.375 0.273 20 30 ECEDLO C[C@H](Nc1nccnc1C#N)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001068245365 792924911 /nfs/dbraw/zinc/92/49/11/792924911.db2.gz KPXSKHMYQVTNBT-SMDDNHRTSA-N 1 2 341.375 0.342 20 30 ECEDLO C[C@@H](Nc1cnc(C#N)cn1)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001068245376 792925033 /nfs/dbraw/zinc/92/50/33/792925033.db2.gz KUKHQFCPTIFTJT-RISCZKNCSA-N 1 2 341.375 0.342 20 30 ECEDLO C[C@H]1C[C@@H](CNc2nccnc2C#N)CN1C(=O)Cn1cc[nH+]c1 ZINC001068336099 793071212 /nfs/dbraw/zinc/07/12/12/793071212.db2.gz SVFLOYOGOMZWLV-STQMWFEESA-N 1 2 325.376 0.894 20 30 ECEDLO C[C@@H]1C[C@H](CNc2nccnc2C#N)CN1C(=O)Cn1cc[nH+]c1 ZINC001068336096 793071342 /nfs/dbraw/zinc/07/13/42/793071342.db2.gz SVFLOYOGOMZWLV-CHWSQXEVSA-N 1 2 325.376 0.894 20 30 ECEDLO C[C@H]1C[C@H](CNc2cnc(C#N)cn2)CN1C(=O)Cc1c[nH+]cn1C ZINC001068339721 793079599 /nfs/dbraw/zinc/07/95/99/793079599.db2.gz ZBPIGWBXODPLNE-QWHCGFSZSA-N 1 2 339.403 0.973 20 30 ECEDLO C[C@H]1C[C@@H](CNc2nccnc2C#N)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001068347807 793095899 /nfs/dbraw/zinc/09/58/99/793095899.db2.gz NUUQJRQJDABFDK-RYUDHWBXSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@@H]1C[C@H](CNc2ccnc(C#N)n2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001068349234 793098315 /nfs/dbraw/zinc/09/83/15/793098315.db2.gz ZFYZQGHHWFYPLM-VXGBXAGGSA-N 1 2 325.376 0.385 20 30 ECEDLO C[C@@H]1CN(c2ccnc(C#N)n2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067403655 793105480 /nfs/dbraw/zinc/10/54/80/793105480.db2.gz QANIJGAKEBNYAJ-OLZOCXBDSA-N 1 2 325.376 0.576 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)n1 ZINC001067403568 793105720 /nfs/dbraw/zinc/10/57/20/793105720.db2.gz OYEZZOQZJHTVCX-SWLSCSKDSA-N 1 2 339.403 0.884 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)CCc1c[nH+]cn1C ZINC001067427270 793139715 /nfs/dbraw/zinc/13/97/15/793139715.db2.gz PBHFGNTWNUGTQE-HNNXBMFYSA-N 1 2 348.447 0.698 20 30 ECEDLO C[C@H]1C[C@H](CNc2nccnc2C#N)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001068375743 793150550 /nfs/dbraw/zinc/15/05/50/793150550.db2.gz MBJLYXFHAAKJNY-NWDGAFQWSA-N 1 2 325.376 0.963 20 30 ECEDLO CC(C)(C)C#CC(=O)N1CCOC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001068395807 793204870 /nfs/dbraw/zinc/20/48/70/793204870.db2.gz LYCDWHSCMDHMMQ-UHFFFAOYSA-N 1 2 344.415 0.372 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CN(C(=O)CCCn1cc[nH+]c1)CCO2 ZINC001068409313 793250985 /nfs/dbraw/zinc/25/09/85/793250985.db2.gz AZPBTQQNSNKEMQ-AWEZNQCLSA-N 1 2 345.403 0.263 20 30 ECEDLO C=CCCCC(=O)N1CC2(C1)CN(C(=O)Cc1c[nH+]cn1C)CCO2 ZINC001068416531 793269710 /nfs/dbraw/zinc/26/97/10/793269710.db2.gz RZMJCNNYIMEQEI-UHFFFAOYSA-N 1 2 346.431 0.759 20 30 ECEDLO CCCN(C(=O)COC(C)(C)C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267539970 837723527 /nfs/dbraw/zinc/72/35/27/837723527.db2.gz LUASFMRAXXLFAR-AWEZNQCLSA-N 1 2 338.452 0.754 20 30 ECEDLO CCCN(C(=O)COC(C)(C)C)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267539970 837723532 /nfs/dbraw/zinc/72/35/32/837723532.db2.gz LUASFMRAXXLFAR-AWEZNQCLSA-N 1 2 338.452 0.754 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cnc(C)cn2)C1 ZINC001267540222 837725951 /nfs/dbraw/zinc/72/59/51/837725951.db2.gz UGAGVYOCQUZVME-OAHLLOKOSA-N 1 2 343.431 0.461 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cnc(C)cn2)C1 ZINC001267540222 837725957 /nfs/dbraw/zinc/72/59/57/837725957.db2.gz UGAGVYOCQUZVME-OAHLLOKOSA-N 1 2 343.431 0.461 20 30 ECEDLO C#CCN1CC[NH+](CCN(C)C(=O)c2cc(C)cn3ccnc23)CC1 ZINC001267573553 837816516 /nfs/dbraw/zinc/81/65/16/837816516.db2.gz UAYLJLVNLBZOLP-UHFFFAOYSA-N 1 2 339.443 0.966 20 30 ECEDLO CC#CCN1CC[NH+](CCN(C)C(=O)C2(C(=O)NC)CCC2)CC1 ZINC001267575718 837828707 /nfs/dbraw/zinc/82/87/07/837828707.db2.gz IJSYTGIOZJGWTG-UHFFFAOYSA-N 1 2 334.464 0.002 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCNC(=O)c2cn(C)cn2)c1 ZINC001266267846 835584647 /nfs/dbraw/zinc/58/46/47/835584647.db2.gz QVWOYVNAJUJZAI-UHFFFAOYSA-N 1 2 339.399 0.702 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCNC(=O)c2cn(C)cn2)c1 ZINC001266267846 835584650 /nfs/dbraw/zinc/58/46/50/835584650.db2.gz QVWOYVNAJUJZAI-UHFFFAOYSA-N 1 2 339.399 0.702 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C[C@H]1Cc2ccccc2O1 ZINC001266277026 835601747 /nfs/dbraw/zinc/60/17/47/835601747.db2.gz LIWUYHDBEZSHKZ-OAHLLOKOSA-N 1 2 329.400 0.178 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C[C@H]1Cc2ccccc2O1 ZINC001266277026 835601751 /nfs/dbraw/zinc/60/17/51/835601751.db2.gz LIWUYHDBEZSHKZ-OAHLLOKOSA-N 1 2 329.400 0.178 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1ncn2cc(Cl)ccc12 ZINC001266277426 835602767 /nfs/dbraw/zinc/60/27/67/835602767.db2.gz ZUUFDBRCFLXUJY-UHFFFAOYSA-N 1 2 347.806 0.399 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1ncn2cc(Cl)ccc12 ZINC001266277426 835602769 /nfs/dbraw/zinc/60/27/69/835602769.db2.gz ZUUFDBRCFLXUJY-UHFFFAOYSA-N 1 2 347.806 0.399 20 30 ECEDLO Cc1noc(C)c1C[NH+]1CCN(CCNC(=O)C#CC2CC2)CC1 ZINC001266283545 835614753 /nfs/dbraw/zinc/61/47/53/835614753.db2.gz QVAJPONOTRDQBI-UHFFFAOYSA-N 1 2 330.432 0.939 20 30 ECEDLO COc1ccc(CCC(=O)NCC[NH+]2CCN(CC#N)CC2)cn1 ZINC001266288136 835631378 /nfs/dbraw/zinc/63/13/78/835631378.db2.gz UEVIUSKVLGJARD-UHFFFAOYSA-N 1 2 331.420 0.280 20 30 ECEDLO C[N@H+](CCNC(=O)C(=O)NCC(F)F)Cc1ccc(C#N)s1 ZINC001266290669 835634736 /nfs/dbraw/zinc/63/47/36/835634736.db2.gz IGVFUTXZZMKTPR-UHFFFAOYSA-N 1 2 330.360 0.549 20 30 ECEDLO C[N@@H+](CCNC(=O)C(=O)NCC(F)F)Cc1ccc(C#N)s1 ZINC001266290669 835634737 /nfs/dbraw/zinc/63/47/37/835634737.db2.gz IGVFUTXZZMKTPR-UHFFFAOYSA-N 1 2 330.360 0.549 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CO[C@H](C)C1 ZINC001266291040 835635461 /nfs/dbraw/zinc/63/54/61/835635461.db2.gz SJWORWBQDRSPPV-CABCVRRESA-N 1 2 325.453 0.884 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CO[C@H](C)C1 ZINC001266291040 835635464 /nfs/dbraw/zinc/63/54/64/835635464.db2.gz SJWORWBQDRSPPV-CABCVRRESA-N 1 2 325.453 0.884 20 30 ECEDLO CCCn1cc(C(=O)NCCN2CC[NH+](CC#CCOC)CC2)cn1 ZINC001266295096 835642017 /nfs/dbraw/zinc/64/20/17/835642017.db2.gz WTXPECZANCHBBD-UHFFFAOYSA-N 1 2 347.463 0.290 20 30 ECEDLO CCCn1cc(C(=O)NCC[NH+]2CCN(CC#CCOC)CC2)cn1 ZINC001266295096 835642020 /nfs/dbraw/zinc/64/20/20/835642020.db2.gz WTXPECZANCHBBD-UHFFFAOYSA-N 1 2 347.463 0.290 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1ccc2[nH]nc(C)c2c1 ZINC001266297913 835649666 /nfs/dbraw/zinc/64/96/66/835649666.db2.gz UTFRUXMTTFTTKZ-UHFFFAOYSA-N 1 2 327.388 0.282 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccc2[nH]nc(C)c2c1 ZINC001266297913 835649668 /nfs/dbraw/zinc/64/96/68/835649668.db2.gz UTFRUXMTTFTTKZ-UHFFFAOYSA-N 1 2 327.388 0.282 20 30 ECEDLO O=C(C#CC1CC1)N[C@@H]1CC[N@@H+](CC(=O)NCC#Cc2ccccc2)C1 ZINC001266318949 835687433 /nfs/dbraw/zinc/68/74/33/835687433.db2.gz DMLWKYWIDJRDFU-LJQANCHMSA-N 1 2 349.434 0.758 20 30 ECEDLO O=C(C#CC1CC1)N[C@@H]1CC[N@H+](CC(=O)NCC#Cc2ccccc2)C1 ZINC001266318949 835687441 /nfs/dbraw/zinc/68/74/41/835687441.db2.gz DMLWKYWIDJRDFU-LJQANCHMSA-N 1 2 349.434 0.758 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)C(=O)NCC=C)C2)nn1 ZINC001266346918 835736174 /nfs/dbraw/zinc/73/61/74/835736174.db2.gz IXVZYBVROBXBMR-KGLIPLIRSA-N 1 2 346.435 0.349 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+]([C@H](C)C(=O)NCC=C)C2)nn1 ZINC001266346918 835736185 /nfs/dbraw/zinc/73/61/85/835736185.db2.gz IXVZYBVROBXBMR-KGLIPLIRSA-N 1 2 346.435 0.349 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(=O)NCC=C)C2)nn1 ZINC001266346920 835737556 /nfs/dbraw/zinc/73/75/56/835737556.db2.gz IXVZYBVROBXBMR-ZIAGYGMSSA-N 1 2 346.435 0.349 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(=O)NCC=C)C2)nn1 ZINC001266346920 835737568 /nfs/dbraw/zinc/73/75/68/835737568.db2.gz IXVZYBVROBXBMR-ZIAGYGMSSA-N 1 2 346.435 0.349 20 30 ECEDLO C#Cc1ccc(C(=O)NCC[N@@H+](C)CC(=O)NC[C@@H]2CCCO2)cn1 ZINC001266351061 835748778 /nfs/dbraw/zinc/74/87/78/835748778.db2.gz ZQGOMSVSPCENMS-INIZCTEOSA-N 1 2 344.415 0.020 20 30 ECEDLO C#Cc1ccc(C(=O)NCC[N@H+](C)CC(=O)NC[C@@H]2CCCO2)cn1 ZINC001266351061 835748786 /nfs/dbraw/zinc/74/87/86/835748786.db2.gz ZQGOMSVSPCENMS-INIZCTEOSA-N 1 2 344.415 0.020 20 30 ECEDLO C=C[C@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1)c1ccccc1 ZINC001266360908 835769353 /nfs/dbraw/zinc/76/93/53/835769353.db2.gz FHXRTLMYUIQETJ-KBPBESRZSA-N 1 2 330.388 0.342 20 30 ECEDLO C=C[C@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1)c1ccccc1 ZINC001266360908 835769345 /nfs/dbraw/zinc/76/93/45/835769345.db2.gz FHXRTLMYUIQETJ-KBPBESRZSA-N 1 2 330.388 0.342 20 30 ECEDLO CCCN(C(=O)c1cncn1C)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC001266388689 835798020 /nfs/dbraw/zinc/79/80/20/835798020.db2.gz MYTBCUBIEQFFSI-UHFFFAOYSA-N 1 2 346.435 0.376 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001282745869 835824446 /nfs/dbraw/zinc/82/44/46/835824446.db2.gz XXVYEEKIUJKVBN-SNVBAGLBSA-N 1 2 328.800 0.069 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1CCC[N@H+]1Cc1cncc(OC)n1 ZINC001266461675 835864386 /nfs/dbraw/zinc/86/43/86/835864386.db2.gz UEIKFBYCIUVVGK-YOEHRIQHSA-N 1 2 334.420 0.893 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cncc(OC)n1 ZINC001266461675 835864393 /nfs/dbraw/zinc/86/43/93/835864393.db2.gz UEIKFBYCIUVVGK-YOEHRIQHSA-N 1 2 334.420 0.893 20 30 ECEDLO C#CCNC(=O)[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001266491565 835891196 /nfs/dbraw/zinc/89/11/96/835891196.db2.gz TYHFZFZYAKYQFF-HRCADAONSA-N 1 2 343.431 0.086 20 30 ECEDLO Cc1cccc(OCC(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NCC#N)c1 ZINC001266495965 835895273 /nfs/dbraw/zinc/89/52/73/835895273.db2.gz YCNRBZADGMEJKB-HNNXBMFYSA-N 1 2 344.415 0.594 20 30 ECEDLO Cc1cccc(OCC(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NCC#N)c1 ZINC001266495965 835895275 /nfs/dbraw/zinc/89/52/75/835895275.db2.gz YCNRBZADGMEJKB-HNNXBMFYSA-N 1 2 344.415 0.594 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2nnc(C)n2CCC)C1 ZINC001266514327 835926245 /nfs/dbraw/zinc/92/62/45/835926245.db2.gz PYGMGLGBAQBBAU-GDBMZVCRSA-N 1 2 347.463 0.973 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2nnc(C)n2CCC)C1 ZINC001266514327 835926251 /nfs/dbraw/zinc/92/62/51/835926251.db2.gz PYGMGLGBAQBBAU-GDBMZVCRSA-N 1 2 347.463 0.973 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(C)[nH]1 ZINC001266648109 836082296 /nfs/dbraw/zinc/08/22/96/836082296.db2.gz MYHFSVOATNFMJO-PRTUASRFSA-N 1 2 331.420 0.763 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(C)[nH]1 ZINC001266648109 836082302 /nfs/dbraw/zinc/08/23/02/836082302.db2.gz MYHFSVOATNFMJO-PRTUASRFSA-N 1 2 331.420 0.763 20 30 ECEDLO CC(C)C#CC(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2cnccn2)C1 ZINC001266749568 836239170 /nfs/dbraw/zinc/23/91/70/836239170.db2.gz JNBXXFDZOJMYAR-HNNXBMFYSA-N 1 2 343.431 0.903 20 30 ECEDLO CC(C)C#CC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2cnccn2)C1 ZINC001266749568 836239177 /nfs/dbraw/zinc/23/91/77/836239177.db2.gz JNBXXFDZOJMYAR-HNNXBMFYSA-N 1 2 343.431 0.903 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)n1cccc1 ZINC001266839438 836366361 /nfs/dbraw/zinc/36/63/61/836366361.db2.gz AUFNUXOOFIPDGH-JKSUJKDBSA-N 1 2 330.432 0.769 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)n1cccc1 ZINC001266839438 836366364 /nfs/dbraw/zinc/36/63/64/836366364.db2.gz AUFNUXOOFIPDGH-JKSUJKDBSA-N 1 2 330.432 0.769 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000150829954 836617569 /nfs/dbraw/zinc/61/75/69/836617569.db2.gz GCUQWBDQZWAMCD-UHFFFAOYSA-N 1 2 342.359 0.123 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000150829954 836617576 /nfs/dbraw/zinc/61/75/76/836617576.db2.gz GCUQWBDQZWAMCD-UHFFFAOYSA-N 1 2 342.359 0.123 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1nccc2ccsc21 ZINC001267200393 836975002 /nfs/dbraw/zinc/97/50/02/836975002.db2.gz JQRCVUIAFVHPAW-UHFFFAOYSA-N 1 2 330.413 0.707 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1nccc2ccsc21 ZINC001267200393 836975012 /nfs/dbraw/zinc/97/50/12/836975012.db2.gz JQRCVUIAFVHPAW-UHFFFAOYSA-N 1 2 330.413 0.707 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)CC(N)=O)c1 ZINC001267210494 836997763 /nfs/dbraw/zinc/99/77/63/836997763.db2.gz IBYSUNGRNBRAPU-CYBMUJFWSA-N 1 2 344.415 0.166 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCNC(=O)[C@H](C)CC(N)=O)c1 ZINC001267210494 836997769 /nfs/dbraw/zinc/99/77/69/836997769.db2.gz IBYSUNGRNBRAPU-CYBMUJFWSA-N 1 2 344.415 0.166 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@@H+](C)CC(=O)NCC1CCC1 ZINC001267220757 837014148 /nfs/dbraw/zinc/01/41/48/837014148.db2.gz FYQRECMMFWPKHT-RDJZCZTQSA-N 1 2 337.464 0.932 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[N@H+](C)CC(=O)NCC1CCC1 ZINC001267220757 837014156 /nfs/dbraw/zinc/01/41/56/837014156.db2.gz FYQRECMMFWPKHT-RDJZCZTQSA-N 1 2 337.464 0.932 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1cc2c([nH]c1=O)CCCC2 ZINC001267222940 837017602 /nfs/dbraw/zinc/01/76/02/837017602.db2.gz BUDMVWGXONUESI-UHFFFAOYSA-N 1 2 344.415 0.077 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1cc2c([nH]c1=O)CCCC2 ZINC001267222940 837017612 /nfs/dbraw/zinc/01/76/12/837017612.db2.gz BUDMVWGXONUESI-UHFFFAOYSA-N 1 2 344.415 0.077 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccc2ccn(C)c2c1 ZINC001267224807 837019656 /nfs/dbraw/zinc/01/96/56/837019656.db2.gz KPVWSQRXKHUHSA-UHFFFAOYSA-N 1 2 326.400 0.589 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1ccc2ccn(C)c2c1 ZINC001267224807 837019668 /nfs/dbraw/zinc/01/96/68/837019668.db2.gz KPVWSQRXKHUHSA-UHFFFAOYSA-N 1 2 326.400 0.589 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnoc1C(C)C ZINC001267279565 837125206 /nfs/dbraw/zinc/12/52/06/837125206.db2.gz HKNWUNLNMJYUFK-CYBMUJFWSA-N 1 2 332.404 0.742 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnoc1C(C)C ZINC001267279565 837125212 /nfs/dbraw/zinc/12/52/12/837125212.db2.gz HKNWUNLNMJYUFK-CYBMUJFWSA-N 1 2 332.404 0.742 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(c2ccccc2)CC1 ZINC001267280997 837128939 /nfs/dbraw/zinc/12/89/39/837128939.db2.gz IJRLLTZCABJZTN-MRXNPFEDSA-N 1 2 340.427 0.939 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C1(c2ccccc2)CC1 ZINC001267280997 837128944 /nfs/dbraw/zinc/12/89/44/837128944.db2.gz IJRLLTZCABJZTN-MRXNPFEDSA-N 1 2 340.427 0.939 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCN(CCN(C)C(=O)C=C(C)C)CC2)C1=O ZINC001267604817 837938582 /nfs/dbraw/zinc/93/85/82/837938582.db2.gz FYBAKETUPNMKJR-KRWDZBQOSA-N 1 2 348.491 0.816 20 30 ECEDLO C=CCN1CC[C@H](N2CC[NH+](CCN(C)C(=O)C=C(C)C)CC2)C1=O ZINC001267604817 837938587 /nfs/dbraw/zinc/93/85/87/837938587.db2.gz FYBAKETUPNMKJR-KRWDZBQOSA-N 1 2 348.491 0.816 20 30 ECEDLO C#CC[NH+]1CCN(CCN(C)C(=O)CCCc2nc(CC)no2)CC1 ZINC001267617723 838044849 /nfs/dbraw/zinc/04/48/49/838044849.db2.gz GVQMKQYAVYMOND-UHFFFAOYSA-N 1 2 347.463 0.664 20 30 ECEDLO C=C[C@@H](C(=O)N(C)CC[NH+]1CCN(CC(N)=O)CC1)c1ccccc1 ZINC001267618383 838050173 /nfs/dbraw/zinc/05/01/73/838050173.db2.gz NTOQLVUTJSGULT-QGZVFWFLSA-N 1 2 344.459 0.518 20 30 ECEDLO O=C(C#CC1CC1)NC1C[NH+](C[C@@H](O)COCc2cccs2)C1 ZINC001267644556 838128303 /nfs/dbraw/zinc/12/83/03/838128303.db2.gz AIQRVQPJYVSYLD-OAHLLOKOSA-N 1 2 334.441 0.839 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NC1C[NH+](Cc2ccn(C)c(=O)c2)C1 ZINC001267661632 838181590 /nfs/dbraw/zinc/18/15/90/838181590.db2.gz MOGCJNIJXAKWNC-MRXNPFEDSA-N 1 2 346.431 0.157 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C(C)(C)F)C1 ZINC001267674203 838219583 /nfs/dbraw/zinc/21/95/83/838219583.db2.gz UULHSEAMQMVVJU-SNVBAGLBSA-N 1 2 328.388 0.183 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH+]1CC(CNC(=O)CCc2ccco2)C1 ZINC001267675396 838221547 /nfs/dbraw/zinc/22/15/47/838221547.db2.gz WTWJCIDAWLPACK-UHFFFAOYSA-N 1 2 348.403 0.272 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2c(C)[nH]nc2Cl)C1 ZINC001267682124 838244436 /nfs/dbraw/zinc/24/44/36/838244436.db2.gz IHSUGFAIOWRADE-UHFFFAOYSA-N 1 2 325.800 0.335 20 30 ECEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CC(CNC(=O)C#CC3CC3)C2)C1 ZINC001267682409 838244956 /nfs/dbraw/zinc/24/49/56/838244956.db2.gz VWNALKQHQNQDGX-HUUCEWRRSA-N 1 2 331.460 0.952 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC23CC(OCC)C3)C1 ZINC001267692489 838267952 /nfs/dbraw/zinc/26/79/52/838267952.db2.gz HEKHLTKPWIOPMB-SWKXRBFHSA-N 1 2 335.448 0.542 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001267693409 838276830 /nfs/dbraw/zinc/27/68/30/838276830.db2.gz DDRPXPBIHIOLFK-XOKHGSTOSA-N 1 2 340.427 0.371 20 30 ECEDLO N#CCSCC(=O)N[C@H]1CC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001267719003 838371237 /nfs/dbraw/zinc/37/12/37/838371237.db2.gz NFNYKODPFAFSRS-STQMWFEESA-N 1 2 345.490 0.258 20 30 ECEDLO N#CCSCC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001267719003 838371245 /nfs/dbraw/zinc/37/12/45/838371245.db2.gz NFNYKODPFAFSRS-STQMWFEESA-N 1 2 345.490 0.258 20 30 ECEDLO Cc1ccc(COCC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C2)cc1 ZINC001267726052 838397532 /nfs/dbraw/zinc/39/75/32/838397532.db2.gz PJTQBXHHJKODDR-INIZCTEOSA-N 1 2 344.415 0.342 20 30 ECEDLO Cc1ccc(COCC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)cc1 ZINC001267726052 838397539 /nfs/dbraw/zinc/39/75/39/838397539.db2.gz PJTQBXHHJKODDR-INIZCTEOSA-N 1 2 344.415 0.342 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001267732424 838420106 /nfs/dbraw/zinc/42/01/06/838420106.db2.gz HJHFPWRWSZWWCK-AWEZNQCLSA-N 1 2 328.416 0.447 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001267732424 838420109 /nfs/dbraw/zinc/42/01/09/838420109.db2.gz HJHFPWRWSZWWCK-AWEZNQCLSA-N 1 2 328.416 0.447 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001267752074 838473776 /nfs/dbraw/zinc/47/37/76/838473776.db2.gz SYNYREAVHZRSKW-OWCLPIDISA-N 1 2 326.400 0.620 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001267752074 838473780 /nfs/dbraw/zinc/47/37/80/838473780.db2.gz SYNYREAVHZRSKW-OWCLPIDISA-N 1 2 326.400 0.620 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)c(OC)c2)C1 ZINC001267767554 838504203 /nfs/dbraw/zinc/50/42/03/838504203.db2.gz KEHRZFDUJLGWEW-MRXNPFEDSA-N 1 2 343.427 0.899 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)c(OC)c2)C1 ZINC001267767554 838504205 /nfs/dbraw/zinc/50/42/05/838504205.db2.gz KEHRZFDUJLGWEW-MRXNPFEDSA-N 1 2 343.427 0.899 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)C(C)C)C1 ZINC001267774618 838537348 /nfs/dbraw/zinc/53/73/48/838537348.db2.gz YAXIRDCILJARCF-UONOGXRCSA-N 1 2 338.452 0.823 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)C(C)C)C1 ZINC001267774618 838537350 /nfs/dbraw/zinc/53/73/50/838537350.db2.gz YAXIRDCILJARCF-UONOGXRCSA-N 1 2 338.452 0.823 20 30 ECEDLO CCN(C(=O)c1cn(C)ccc1=O)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001267788508 838567755 /nfs/dbraw/zinc/56/77/55/838567755.db2.gz ZIOWZRHQVXNCCT-HNNXBMFYSA-N 1 2 331.416 0.572 20 30 ECEDLO CCN(C(=O)c1cn(C)ccc1=O)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267788508 838567758 /nfs/dbraw/zinc/56/77/58/838567758.db2.gz ZIOWZRHQVXNCCT-HNNXBMFYSA-N 1 2 331.416 0.572 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001267789722 838570097 /nfs/dbraw/zinc/57/00/97/838570097.db2.gz KIQUZUUQAYRKLE-VXGBXAGGSA-N 1 2 342.827 0.650 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001267789722 838570102 /nfs/dbraw/zinc/57/01/02/838570102.db2.gz KIQUZUUQAYRKLE-VXGBXAGGSA-N 1 2 342.827 0.650 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)c2nccs2)C1 ZINC001267791750 838572196 /nfs/dbraw/zinc/57/21/96/838572196.db2.gz WRJSMPVRNOXRNF-OLZOCXBDSA-N 1 2 334.445 0.817 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(CC)C(=O)c2nccs2)C1 ZINC001267791750 838572202 /nfs/dbraw/zinc/57/22/02/838572202.db2.gz WRJSMPVRNOXRNF-OLZOCXBDSA-N 1 2 334.445 0.817 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[C@H]2CCCCO2)C1 ZINC001267937496 838820402 /nfs/dbraw/zinc/82/04/02/838820402.db2.gz NWQVKAWMYJGLGP-HZPDHXFCSA-N 1 2 349.475 0.912 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[C@H]2CCCCO2)C1 ZINC001267937496 838820414 /nfs/dbraw/zinc/82/04/14/838820414.db2.gz NWQVKAWMYJGLGP-HZPDHXFCSA-N 1 2 349.475 0.912 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cncc(CC)c2)C1 ZINC001267949199 838840711 /nfs/dbraw/zinc/84/07/11/838840711.db2.gz CYHJLCIURUBVLJ-MRXNPFEDSA-N 1 2 328.416 0.588 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cncc(CC)c2)C1 ZINC001267949199 838840719 /nfs/dbraw/zinc/84/07/19/838840719.db2.gz CYHJLCIURUBVLJ-MRXNPFEDSA-N 1 2 328.416 0.588 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cc(C)nn2CC)C1 ZINC001267966589 838884119 /nfs/dbraw/zinc/88/41/19/838884119.db2.gz MEZDXNPDUXQWJT-CQSZACIVSA-N 1 2 333.436 0.708 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)nn2CC)C1 ZINC001267966589 838884130 /nfs/dbraw/zinc/88/41/30/838884130.db2.gz MEZDXNPDUXQWJT-CQSZACIVSA-N 1 2 333.436 0.708 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@H]1C[N@H+](CCc2cnn(CC)c2)CCO1 ZINC001268022553 839000963 /nfs/dbraw/zinc/00/09/63/839000963.db2.gz UNDHBQIZGHJAMU-WBVHZDCISA-N 1 2 348.447 0.301 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@H]1C[N@@H+](CCc2cnn(CC)c2)CCO1 ZINC001268022553 839000972 /nfs/dbraw/zinc/00/09/72/839000972.db2.gz UNDHBQIZGHJAMU-WBVHZDCISA-N 1 2 348.447 0.301 20 30 ECEDLO C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000052442405 214128319 /nfs/dbraw/zinc/12/83/19/214128319.db2.gz BXALAGTXAVBGBO-HOCLYGCPSA-N 1 2 343.431 0.759 20 30 ECEDLO N#Cc1c(F)cccc1CN1CC[NH+](CCS(N)(=O)=O)CC1 ZINC000428366061 210256802 /nfs/dbraw/zinc/25/68/02/210256802.db2.gz FCOWTJJQQHJMBI-UHFFFAOYSA-N 1 2 326.397 0.103 20 30 ECEDLO Cc1cc(N2CC[NH+]([C@H](C)C(=O)N3CCOCC3)CC2)c(C#N)cn1 ZINC000425250980 210026678 /nfs/dbraw/zinc/02/66/78/210026678.db2.gz WTOSVDMPNLIWLI-OAHLLOKOSA-N 1 2 343.431 0.631 20 30 ECEDLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 ZINC000425205610 210018011 /nfs/dbraw/zinc/01/80/11/210018011.db2.gz ORGWZGSCIKIYHE-UHFFFAOYSA-N 1 2 338.433 0.685 20 30 ECEDLO C[C@H]1CN(C(=O)C[NH+]2CCN(c3ncccc3C#N)CC2)C[C@H](C)O1 ZINC000253604512 244036305 /nfs/dbraw/zinc/03/63/05/244036305.db2.gz XMCNOAMBZAHNAS-GJZGRUSLSA-N 1 2 343.431 0.711 20 30 ECEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000264288884 246299154 /nfs/dbraw/zinc/29/91/54/246299154.db2.gz GESOKODHQKGJPZ-OAHLLOKOSA-N 1 2 344.419 0.115 20 30 ECEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000264288884 246299159 /nfs/dbraw/zinc/29/91/59/246299159.db2.gz GESOKODHQKGJPZ-OAHLLOKOSA-N 1 2 344.419 0.115 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2ncc(C)s2)CC1 ZINC000267412849 251035136 /nfs/dbraw/zinc/03/51/36/251035136.db2.gz IOUKHNNSOSWMCY-LBPRGKRZSA-N 1 2 337.449 0.974 20 30 ECEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000268823291 252272518 /nfs/dbraw/zinc/27/25/18/252272518.db2.gz AIAWHYAPPIBCGH-NSHDSACASA-N 1 2 347.400 0.573 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000330389960 285046500 /nfs/dbraw/zinc/04/65/00/285046500.db2.gz OESBCBDBCZCBNM-CABCVRRESA-N 1 2 344.481 0.509 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000352617173 285049344 /nfs/dbraw/zinc/04/93/44/285049344.db2.gz MRVHTONHSZYDHR-KFWWJZLASA-N 1 2 344.481 0.508 20 30 ECEDLO CC(=O)N1CC[C@H](NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000329916071 254622000 /nfs/dbraw/zinc/62/20/00/254622000.db2.gz QBMBXMKPYGNIIX-HNNXBMFYSA-N 1 2 347.419 0.543 20 30 ECEDLO NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)O1 ZINC000329927348 254622117 /nfs/dbraw/zinc/62/21/17/254622117.db2.gz WWRMSDUCHLZJLR-MCIONIFRSA-N 1 2 340.424 0.780 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)CC1 ZINC000491441302 254914636 /nfs/dbraw/zinc/91/46/36/254914636.db2.gz VGTSRFYLYWLNIV-DFHZNHDVSA-N 1 2 343.427 0.185 20 30 ECEDLO C#CCN(CC#N)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000491680184 254926898 /nfs/dbraw/zinc/92/68/98/254926898.db2.gz ZAGTVHXTMODGMP-UHFFFAOYSA-N 1 2 340.427 0.594 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3nnnn3C)C2)C1 ZINC001041696015 782013619 /nfs/dbraw/zinc/01/36/19/782013619.db2.gz JSPHRLVNXHMLPG-JKIFEVAISA-N 1 2 346.435 0.226 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](Cc3nnnn3C)C2)C1 ZINC001041696015 782013628 /nfs/dbraw/zinc/01/36/28/782013628.db2.gz JSPHRLVNXHMLPG-JKIFEVAISA-N 1 2 346.435 0.226 20 30 ECEDLO COC(=O)CN1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000330696833 437593262 /nfs/dbraw/zinc/59/32/62/437593262.db2.gz KBKPEXCLRDEOKS-UHFFFAOYSA-N 1 2 336.436 0.462 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](CC3CCS(=O)(=O)CC3)CC2)nc1 ZINC000271222160 263307443 /nfs/dbraw/zinc/30/74/43/263307443.db2.gz KLIHBZLDYJFUSL-UHFFFAOYSA-N 1 2 334.445 0.900 20 30 ECEDLO Cc1ccnc(N2CC[NH+](CC(=O)N3CCOCC3)CC2)c1C#N ZINC000273005511 263386743 /nfs/dbraw/zinc/38/67/43/263386743.db2.gz ICWRXWAUSOVDBA-UHFFFAOYSA-N 1 2 329.404 0.243 20 30 ECEDLO C[N@@H+]1CC[C@H]2OCCN(CCS(=O)(=O)c3ccc(C#N)cc3)[C@H]2C1 ZINC000284795646 264239167 /nfs/dbraw/zinc/23/91/67/264239167.db2.gz JKDCGGRJVDPIAZ-DLBZAZTESA-N 1 2 349.456 0.737 20 30 ECEDLO C[N@H+]1CC[C@H]2OCCN(CCS(=O)(=O)c3ccc(C#N)cc3)[C@H]2C1 ZINC000284795646 264239168 /nfs/dbraw/zinc/23/91/68/264239168.db2.gz JKDCGGRJVDPIAZ-DLBZAZTESA-N 1 2 349.456 0.737 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)[nH+]c2)o1 ZINC000286461142 264399342 /nfs/dbraw/zinc/39/93/42/264399342.db2.gz AYWVDNPWIZZGGA-UHFFFAOYSA-N 1 2 348.384 0.861 20 30 ECEDLO N#Cc1ccncc1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000329337215 270005809 /nfs/dbraw/zinc/00/58/09/270005809.db2.gz YFMIUYRXKMXZQB-UHFFFAOYSA-N 1 2 341.415 0.724 20 30 ECEDLO N#Cc1ccncc1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000329337215 270005810 /nfs/dbraw/zinc/00/58/10/270005810.db2.gz YFMIUYRXKMXZQB-UHFFFAOYSA-N 1 2 341.415 0.724 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1=O ZINC000360896254 270007244 /nfs/dbraw/zinc/00/72/44/270007244.db2.gz FEHTZDLHRVSVBQ-ZDUSSCGKSA-N 1 2 326.360 0.541 20 30 ECEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3nccc(C#N)n3)CC2)C1 ZINC000296649696 267086687 /nfs/dbraw/zinc/08/66/87/267086687.db2.gz XGGPBCBSDZPOMO-GASCZTMLSA-N 1 2 342.447 0.975 20 30 ECEDLO C[C@@H]1NC(=O)N(CC[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1=O ZINC000331678215 267097277 /nfs/dbraw/zinc/09/72/77/267097277.db2.gz ZQYMXTDDZUZKJN-SWLSCSKDSA-N 1 2 328.372 0.872 20 30 ECEDLO C[C@@H]1NC(=O)N(CC[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1=O ZINC000331678215 267097280 /nfs/dbraw/zinc/09/72/80/267097280.db2.gz ZQYMXTDDZUZKJN-SWLSCSKDSA-N 1 2 328.372 0.872 20 30 ECEDLO C[C@H](C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1)c1cccc(C#N)c1 ZINC000360712427 267128828 /nfs/dbraw/zinc/12/88/28/267128828.db2.gz HXQKKUBMHPXEFL-XJKSGUPXSA-N 1 2 344.415 0.306 20 30 ECEDLO C[C@H](C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1)c1cccc(C#N)c1 ZINC000360712427 267128830 /nfs/dbraw/zinc/12/88/30/267128830.db2.gz HXQKKUBMHPXEFL-XJKSGUPXSA-N 1 2 344.415 0.306 20 30 ECEDLO C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cn1)[C@H](C)[NH+]1CCOCC1 ZINC000340001635 267171561 /nfs/dbraw/zinc/17/15/61/267171561.db2.gz XVONXSOEMKKGJN-RYUDHWBXSA-N 1 2 331.376 0.117 20 30 ECEDLO C[C@H]([C@H](C)Nc1ccc(S(N)(=O)=O)cc1C#N)[NH+]1CCOCC1 ZINC000301390169 267207279 /nfs/dbraw/zinc/20/72/79/267207279.db2.gz ACPJELQTKRRPGW-NWDGAFQWSA-N 1 2 338.433 0.727 20 30 ECEDLO Cc1cc(C#N)nc(N[C@H]2CCCN(CC[NH+]3CCOCC3)C2=O)n1 ZINC000367832876 267317610 /nfs/dbraw/zinc/31/76/10/267317610.db2.gz APXHWUDWZYRFKI-HNNXBMFYSA-N 1 2 344.419 0.392 20 30 ECEDLO Cn1cc(N2CC[C@@H]([NH2+][C@@H](C(N)=O)c3ccc(C#N)cc3)C2=O)cn1 ZINC000344575264 267805052 /nfs/dbraw/zinc/80/50/52/267805052.db2.gz BXFJUKKGKWIKHS-HUUCEWRRSA-N 1 2 338.371 0.213 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)cc1 ZINC000299101621 268067014 /nfs/dbraw/zinc/06/70/14/268067014.db2.gz SCFZWWKLTXDFPX-MRXNPFEDSA-N 1 2 326.400 0.917 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)cc1 ZINC000299101621 268067016 /nfs/dbraw/zinc/06/70/16/268067016.db2.gz SCFZWWKLTXDFPX-MRXNPFEDSA-N 1 2 326.400 0.917 20 30 ECEDLO N#Cc1ccc(N2CC[NH+]([C@@H]3CC(=O)N(C4CC4)C3=O)CC2)nc1 ZINC000345618631 268119690 /nfs/dbraw/zinc/11/96/90/268119690.db2.gz LLCPBOKDYANHQV-CQSZACIVSA-N 1 2 325.372 0.365 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1 ZINC000368964598 268188623 /nfs/dbraw/zinc/18/86/23/268188623.db2.gz PPAXEVVYUGRBDZ-CWRNSKLLSA-N 1 2 347.440 0.918 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1 ZINC000368964598 268188627 /nfs/dbraw/zinc/18/86/27/268188627.db2.gz PPAXEVVYUGRBDZ-CWRNSKLLSA-N 1 2 347.440 0.918 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cn1 ZINC000378600064 268193387 /nfs/dbraw/zinc/19/33/87/268193387.db2.gz PDCVHILCENAWQO-GJZGRUSLSA-N 1 2 336.417 0.173 20 30 ECEDLO N#Cc1ncccc1S(=O)(=O)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000365429836 268329210 /nfs/dbraw/zinc/32/92/10/268329210.db2.gz UFTKIXAAGIIXIX-LBPRGKRZSA-N 1 2 338.458 0.765 20 30 ECEDLO Cc1cc2c(ncnc2N2CC[NH+](CC(=O)NCC#N)CC2)s1 ZINC000189527037 437605429 /nfs/dbraw/zinc/60/54/29/437605429.db2.gz HIBAHCYIUFBMJI-UHFFFAOYSA-N 1 2 330.417 0.762 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](CCNS(C)(=O)=O)C1CC1 ZINC000340217141 437607893 /nfs/dbraw/zinc/60/78/93/437607893.db2.gz NWCNGFUMBNFPNW-AWEZNQCLSA-N 1 2 330.454 0.054 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](CCNS(C)(=O)=O)C1CC1 ZINC000340217141 437607898 /nfs/dbraw/zinc/60/78/98/437607898.db2.gz NWCNGFUMBNFPNW-AWEZNQCLSA-N 1 2 330.454 0.054 20 30 ECEDLO CN(C)C(=O)c1cc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)ccn1 ZINC000329930174 289028521 /nfs/dbraw/zinc/02/85/21/289028521.db2.gz OFPSPJWVHXNYIR-KGLIPLIRSA-N 1 2 333.392 0.344 20 30 ECEDLO CN(C)C(=O)c1cc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)ccn1 ZINC000329930174 289028523 /nfs/dbraw/zinc/02/85/23/289028523.db2.gz OFPSPJWVHXNYIR-KGLIPLIRSA-N 1 2 333.392 0.344 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCO[C@]4(CCOC4)C3)C[C@@H]21 ZINC000329114592 290087784 /nfs/dbraw/zinc/08/77/84/290087784.db2.gz MDAYGBBVWFCEQR-HLPPOEQASA-N 1 2 325.409 0.253 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCO[C@]4(CCOC4)C3)C[C@@H]21 ZINC000329114592 290087787 /nfs/dbraw/zinc/08/77/87/290087787.db2.gz MDAYGBBVWFCEQR-HLPPOEQASA-N 1 2 325.409 0.253 20 30 ECEDLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)N[C@@H]2CC[S@](=O)C2)C[C@H](C)O1 ZINC000330023050 297013145 /nfs/dbraw/zinc/01/31/45/297013145.db2.gz IBWGAPUNFDLZJD-QAIMPZFASA-N 1 2 343.493 0.995 20 30 ECEDLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)N[C@@H]2CC[S@](=O)C2)C[C@H](C)O1 ZINC000330023050 297013147 /nfs/dbraw/zinc/01/31/47/297013147.db2.gz IBWGAPUNFDLZJD-QAIMPZFASA-N 1 2 343.493 0.995 20 30 ECEDLO C[C@H](NC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000329124795 297947104 /nfs/dbraw/zinc/94/71/04/297947104.db2.gz SNPZMXHYUGACOW-LJIGWXMPSA-N 1 2 341.452 0.937 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+](CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000071012590 435998381 /nfs/dbraw/zinc/99/83/81/435998381.db2.gz VGLNJWSPGRJOOG-GFCCVEGCSA-N 1 2 331.438 0.287 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+](CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000071012590 435998388 /nfs/dbraw/zinc/99/83/88/435998388.db2.gz VGLNJWSPGRJOOG-GFCCVEGCSA-N 1 2 331.438 0.287 20 30 ECEDLO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCN(CC(N)=O)CC1 ZINC000073368272 436076428 /nfs/dbraw/zinc/07/64/28/436076428.db2.gz SQCPXHMFYITNBP-INIZCTEOSA-N 1 2 333.432 0.258 20 30 ECEDLO C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029447539 436203152 /nfs/dbraw/zinc/20/31/52/436203152.db2.gz PHIDPSMDKUSDQP-GFCCVEGCSA-N 1 2 342.403 0.452 20 30 ECEDLO CCNC(=O)CN1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000029672452 436205808 /nfs/dbraw/zinc/20/58/08/436205808.db2.gz IENGUPZBEPSWEX-MRXNPFEDSA-N 1 2 346.431 0.052 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCOC[C@H]3C)CC2)o1 ZINC000029729416 436207515 /nfs/dbraw/zinc/20/75/15/436207515.db2.gz JHIMELJAAKNLOY-GFCCVEGCSA-N 1 2 333.392 0.224 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCOC[C@H]3C)CC2)o1 ZINC000029729416 436207519 /nfs/dbraw/zinc/20/75/19/436207519.db2.gz JHIMELJAAKNLOY-GFCCVEGCSA-N 1 2 333.392 0.224 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN([C@@H](C(=O)OC)c2ccccc2)CC1 ZINC000078263546 436263014 /nfs/dbraw/zinc/26/30/14/436263014.db2.gz UXTXLXZBRJEOGZ-QGZVFWFLSA-N 1 2 331.416 0.821 20 30 ECEDLO Cc1ccc(CNC(=O)CO[NH+]=C(N)CN2CCOCC2)cc1F ZINC000078640065 436273292 /nfs/dbraw/zinc/27/32/92/436273292.db2.gz ZEBZYQAFOHTKRL-UHFFFAOYSA-N 1 2 338.383 0.371 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000041739840 436282950 /nfs/dbraw/zinc/28/29/50/436282950.db2.gz NZZODSLQVQXEEN-ZDUSSCGKSA-N 1 2 346.387 0.364 20 30 ECEDLO C#CCNC(=O)[C@H](C)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000044741463 436347195 /nfs/dbraw/zinc/34/71/95/436347195.db2.gz VTBKIZLEHJQPQR-CVEARBPZSA-N 1 2 334.464 0.143 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000044741463 436347199 /nfs/dbraw/zinc/34/71/99/436347199.db2.gz VTBKIZLEHJQPQR-CVEARBPZSA-N 1 2 334.464 0.143 20 30 ECEDLO C[C@H](NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000083736221 436376121 /nfs/dbraw/zinc/37/61/21/436376121.db2.gz LXLBUNXNPOCIGX-WMLDXEAASA-N 1 2 346.431 0.954 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@H+](CCC(F)(F)F)C[C@H](O)CO)C1CC1 ZINC000084867843 436386428 /nfs/dbraw/zinc/38/64/28/436386428.db2.gz MKCYITWRDBFFCG-AAEUAGOBSA-N 1 2 337.342 0.402 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@@H+](CCC(F)(F)F)C[C@H](O)CO)C1CC1 ZINC000084867843 436386431 /nfs/dbraw/zinc/38/64/31/436386431.db2.gz MKCYITWRDBFFCG-AAEUAGOBSA-N 1 2 337.342 0.402 20 30 ECEDLO CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)n1 ZINC000091213675 436444813 /nfs/dbraw/zinc/44/48/13/436444813.db2.gz SGXINTCJBTWEDI-UHFFFAOYSA-N 1 2 344.419 0.755 20 30 ECEDLO N#C[C@H]1CN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CCO1 ZINC000106331984 436592063 /nfs/dbraw/zinc/59/20/63/436592063.db2.gz GNJLLEUNURSOJR-DLBZAZTESA-N 1 2 344.415 0.994 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)COC2CCCCC2)CC1 ZINC000112904330 436634432 /nfs/dbraw/zinc/63/44/32/436634432.db2.gz IBFKGQIVRUVVRB-UHFFFAOYSA-N 1 2 335.448 0.619 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)COC2CCCCC2)CC1 ZINC000112904330 436634434 /nfs/dbraw/zinc/63/44/34/436634434.db2.gz IBFKGQIVRUVVRB-UHFFFAOYSA-N 1 2 335.448 0.619 20 30 ECEDLO C#CC[N@@H+](CC(=O)N1CCN(C(C)=O)CC1)Cc1ccc(F)cc1 ZINC000062363836 436640135 /nfs/dbraw/zinc/64/01/35/436640135.db2.gz YSEKUJPRGZNHMW-UHFFFAOYSA-N 1 2 331.391 0.952 20 30 ECEDLO C#CC[N@H+](CC(=O)N1CCN(C(C)=O)CC1)Cc1ccc(F)cc1 ZINC000062363836 436640136 /nfs/dbraw/zinc/64/01/36/436640136.db2.gz YSEKUJPRGZNHMW-UHFFFAOYSA-N 1 2 331.391 0.952 20 30 ECEDLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000548623153 302313962 /nfs/dbraw/zinc/31/39/62/302313962.db2.gz LZKIOZLVAMJADN-NSHDSACASA-N 1 2 327.381 0.384 20 30 ECEDLO C#CC[N@@H+](CCC(=O)Nc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 ZINC000066538847 436688565 /nfs/dbraw/zinc/68/85/65/436688565.db2.gz GWLFXMPQIQEMAW-GFCCVEGCSA-N 1 2 325.390 0.434 20 30 ECEDLO C#CC[N@H+](CCC(=O)Nc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 ZINC000066538847 436688570 /nfs/dbraw/zinc/68/85/70/436688570.db2.gz GWLFXMPQIQEMAW-GFCCVEGCSA-N 1 2 325.390 0.434 20 30 ECEDLO C#CC[NH+]1CCN(CN2C(=O)N[C@]3(CC(C)(C)OC3(C)C)C2=O)CC1 ZINC000151746093 436711522 /nfs/dbraw/zinc/71/15/22/436711522.db2.gz ZPCSKBSSJGPBKJ-GOSISDBHSA-N 1 2 348.447 0.463 20 30 ECEDLO C=CCNC(=O)CN1CC[N@@H+](CC(=O)NCC=C)C[C@@H]1[C@H](C)CC ZINC000269984341 436669921 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/nfs/dbraw/zinc/89/77/78/436897778.db2.gz HAOFVLRVEZOXEF-GFCCVEGCSA-N 1 2 329.404 0.859 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](C(=O)OC)[C@H](C)CC)C1=O ZINC000281449031 436970441 /nfs/dbraw/zinc/97/04/41/436970441.db2.gz UNABWFRJEGKCJU-VNHYZAJKSA-N 1 2 339.436 0.409 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@@H](C(=O)OC)[C@H](C)CC)C1=O ZINC000281449031 436970442 /nfs/dbraw/zinc/97/04/42/436970442.db2.gz UNABWFRJEGKCJU-VNHYZAJKSA-N 1 2 339.436 0.409 20 30 ECEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000171144213 436970750 /nfs/dbraw/zinc/97/07/50/436970750.db2.gz SQZPVUKWFRKUHQ-CQSZACIVSA-N 1 2 349.435 0.929 20 30 ECEDLO C=C(C)CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000163770685 436928795 /nfs/dbraw/zinc/92/87/95/436928795.db2.gz YOFPOQYVMKFKGB-UHFFFAOYSA-N 1 2 331.420 0.996 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC000165227673 436935082 /nfs/dbraw/zinc/93/50/82/436935082.db2.gz GGONQHJPBBOKRJ-OAHLLOKOSA-N 1 2 343.431 0.990 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/nfs/dbraw/zinc/22/28/95/437222895.db2.gz QRFBKFQKFYQCQN-UHFFFAOYSA-N 1 2 349.387 0.744 20 30 ECEDLO COc1cccc(C(N)=[NH+]OCc2nnnn2CC2CCOCC2)c1 ZINC000277585810 437235639 /nfs/dbraw/zinc/23/56/39/437235639.db2.gz VBUQIQBDYWTBHS-UHFFFAOYSA-N 1 2 346.391 0.945 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccn(-c4cccc(C#N)c4)n3)C[C@@H]21 ZINC000328642798 437245561 /nfs/dbraw/zinc/24/55/61/437245561.db2.gz ACVGPKKSNLMODT-DLBZAZTESA-N 1 2 337.383 0.899 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccn(-c4cccc(C#N)c4)n3)C[C@@H]21 ZINC000328642798 437245564 /nfs/dbraw/zinc/24/55/64/437245564.db2.gz ACVGPKKSNLMODT-DLBZAZTESA-N 1 2 337.383 0.899 20 30 ECEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NCCc2c[nH]c3ncccc23)C1 ZINC000328725129 437255807 /nfs/dbraw/zinc/25/58/07/437255807.db2.gz TVJLFNNBDFGGLQ-CQSZACIVSA-N 1 2 330.436 0.855 20 30 ECEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCCc2c[nH]c3ncccc23)C1 ZINC000328725129 437255810 /nfs/dbraw/zinc/25/58/10/437255810.db2.gz TVJLFNNBDFGGLQ-CQSZACIVSA-N 1 2 330.436 0.855 20 30 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Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1CCC(=O)N1C ZINC000329265699 437343100 /nfs/dbraw/zinc/34/31/00/437343100.db2.gz CKUIDYHFTXTOMV-RWMBFGLXSA-N 1 2 337.399 0.910 20 30 ECEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N(CCO)C3CC3)ccn2)CC1 ZINC000329425916 437368221 /nfs/dbraw/zinc/36/82/21/437368221.db2.gz IZFCDPKFLORPNE-UHFFFAOYSA-N 1 2 347.419 0.471 20 30 ECEDLO C[C@]([NH2+]CC(=O)N(CCC#N)CCC#N)(C(N)=O)c1ccccc1 ZINC000337648120 437375074 /nfs/dbraw/zinc/37/50/74/437375074.db2.gz JOJSGZDSDLBOOB-QGZVFWFLSA-N 1 2 327.388 0.633 20 30 ECEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnc3n[nH]nc3c2)CC1 ZINC000329144209 437325025 /nfs/dbraw/zinc/32/50/25/437325025.db2.gz MSSWKRADNRRBMS-UHFFFAOYSA-N 1 2 331.380 0.477 20 30 ECEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnc3n[nH]nc3c2)CC1 ZINC000329144209 437325029 /nfs/dbraw/zinc/32/50/29/437325029.db2.gz MSSWKRADNRRBMS-UHFFFAOYSA-N 1 2 331.380 0.477 20 30 ECEDLO COC(=O)c1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)ccn1 ZINC000267529877 437327106 /nfs/dbraw/zinc/32/71/06/437327106.db2.gz RLZNLEXDOKEHIE-UHFFFAOYSA-N 1 2 346.387 0.556 20 30 ECEDLO C[C@H](CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)N1CCOCC1 ZINC000329189821 437331216 /nfs/dbraw/zinc/33/12/16/437331216.db2.gz CENYAXPNLGVWAN-ARFHVFGLSA-N 1 2 340.468 0.416 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(O)cc2F)CC1 ZINC000181954962 437333615 /nfs/dbraw/zinc/33/36/15/437333615.db2.gz VPEYMLTWGVYVRN-UHFFFAOYSA-N 1 2 333.363 0.429 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(O)cc2F)CC1 ZINC000181954962 437333620 /nfs/dbraw/zinc/33/36/20/437333620.db2.gz VPEYMLTWGVYVRN-UHFFFAOYSA-N 1 2 333.363 0.429 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ncnn2-c2ccccc2)CC1 ZINC000337140701 437334298 /nfs/dbraw/zinc/33/42/98/437334298.db2.gz UROPCDNELCCFSU-UHFFFAOYSA-N 1 2 340.431 0.687 20 30 ECEDLO COC[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CC2)CC(C)(C)O1 ZINC000329209764 437334604 /nfs/dbraw/zinc/33/46/04/437334604.db2.gz YOQYUODJFQWICY-AWEZNQCLSA-N 1 2 341.452 0.891 20 30 ECEDLO COC(=O)[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000338361213 437405001 /nfs/dbraw/zinc/40/50/01/437405001.db2.gz ZQQCXVVJZZOXAT-INWMFGNUSA-N 1 2 334.372 0.560 20 30 ECEDLO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000338361213 437405006 /nfs/dbraw/zinc/40/50/06/437405006.db2.gz ZQQCXVVJZZOXAT-INWMFGNUSA-N 1 2 334.372 0.560 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CC)CC1 ZINC000338601343 437413896 /nfs/dbraw/zinc/41/38/96/437413896.db2.gz JJIGVUVWXPFHGC-CQSZACIVSA-N 1 2 348.451 0.574 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(NC)nc2)CC1 ZINC000279502501 437417299 /nfs/dbraw/zinc/41/72/99/437417299.db2.gz SSTQXBZREXAVFV-UHFFFAOYSA-N 1 2 329.404 0.021 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(NC)nc2)CC1 ZINC000279502501 437417303 /nfs/dbraw/zinc/41/73/03/437417303.db2.gz SSTQXBZREXAVFV-UHFFFAOYSA-N 1 2 329.404 0.021 20 30 ECEDLO C[C@H](NC(=O)N1CCO[C@]2(CCOC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000329879067 437424937 /nfs/dbraw/zinc/42/49/37/437424937.db2.gz LTFLNCSNNHWIJL-OFQRWUPVSA-N 1 2 327.425 0.501 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccnn2CCCOC)CC1 ZINC000338920802 437425717 /nfs/dbraw/zinc/42/57/17/437425717.db2.gz MWQPVPNXMLYBAN-UHFFFAOYSA-N 1 2 335.452 0.339 20 30 ECEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279123571 437377424 /nfs/dbraw/zinc/37/74/24/437377424.db2.gz VABBUFRWNDMYDE-APPDUMDISA-N 1 2 341.371 0.559 20 30 ECEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279123571 437377428 /nfs/dbraw/zinc/37/74/28/437377428.db2.gz VABBUFRWNDMYDE-APPDUMDISA-N 1 2 341.371 0.559 20 30 ECEDLO C=CCn1c([C@@H]2COCCO2)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000337858033 437383346 /nfs/dbraw/zinc/38/33/46/437383346.db2.gz MEJJFDWHHSDFQL-GJZGRUSLSA-N 1 2 349.435 0.463 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)CCc2scnc2C)CC1 ZINC000289144069 437383701 /nfs/dbraw/zinc/38/37/01/437383701.db2.gz MMVUSEVXAPWVCM-UHFFFAOYSA-N 1 2 327.475 0.965 20 30 ECEDLO Cc1cc(COCC(=O)N(CCC#N)CC[NH+]2CCOCC2)on1 ZINC000338115896 437390269 /nfs/dbraw/zinc/39/02/69/437390269.db2.gz BBRRWGLJEPRHMQ-UHFFFAOYSA-N 1 2 336.392 0.574 20 30 ECEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2nc(=O)n(C)[nH]2)CC1 ZINC000329623167 437392539 /nfs/dbraw/zinc/39/25/39/437392539.db2.gz UUPUQBMELMXHCE-GFCCVEGCSA-N 1 2 336.440 0.514 20 30 ECEDLO C[N@@H+]1CCO[C@H]2CCN(S(=O)(=O)Cc3ccc(C#N)cc3)C[C@@H]21 ZINC000289272540 437395097 /nfs/dbraw/zinc/39/50/97/437395097.db2.gz WGJKLONXNBANAA-HOTGVXAUSA-N 1 2 335.429 0.793 20 30 ECEDLO C[N@H+]1CCO[C@H]2CCN(S(=O)(=O)Cc3ccc(C#N)cc3)C[C@@H]21 ZINC000289272540 437395100 /nfs/dbraw/zinc/39/51/00/437395100.db2.gz WGJKLONXNBANAA-HOTGVXAUSA-N 1 2 335.429 0.793 20 30 ECEDLO COc1cc(N2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)ncn1 ZINC000184071917 437396955 /nfs/dbraw/zinc/39/69/55/437396955.db2.gz BVLKNMUIKZVXCF-ZDUSSCGKSA-N 1 2 332.408 0.368 20 30 ECEDLO Cc1c([C@H]2OCC[C@@H]2NC(=O)NC[C@H]2C[N@H+](C)CCO2)cnn1C ZINC000330340211 437486719 /nfs/dbraw/zinc/48/67/19/437486719.db2.gz XPUAGKCVVOJGAX-AEGPPILISA-N 1 2 337.424 0.393 20 30 ECEDLO Cc1c([C@H]2OCC[C@@H]2NC(=O)NC[C@H]2C[N@@H+](C)CCO2)cnn1C ZINC000330340211 437486723 /nfs/dbraw/zinc/48/67/23/437486723.db2.gz XPUAGKCVVOJGAX-AEGPPILISA-N 1 2 337.424 0.393 20 30 ECEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cccnc3N3CCOCC3)C[C@H]21 ZINC000329926027 437432922 /nfs/dbraw/zinc/43/29/22/437432922.db2.gz KHHJVIQQPZKWLD-CABCVRRESA-N 1 2 347.419 0.479 20 30 ECEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cccnc3N3CCOCC3)C[C@H]21 ZINC000329926027 437432925 /nfs/dbraw/zinc/43/29/25/437432925.db2.gz KHHJVIQQPZKWLD-CABCVRRESA-N 1 2 347.419 0.479 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2c(O)cccc2F)CC1 ZINC000185286373 437435192 /nfs/dbraw/zinc/43/51/92/437435192.db2.gz DCALCZWMJIMBSC-UHFFFAOYSA-N 1 2 333.363 0.429 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c(O)cccc2F)CC1 ZINC000185286373 437435194 /nfs/dbraw/zinc/43/51/94/437435194.db2.gz DCALCZWMJIMBSC-UHFFFAOYSA-N 1 2 333.363 0.429 20 30 ECEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)N[C@@H]2CCc3c[nH]nc3C2)CCN1C ZINC000329946206 437435487 /nfs/dbraw/zinc/43/54/87/437435487.db2.gz GGDJNKBQBRMHFR-HIFRSBDPSA-N 1 2 343.435 0.903 20 30 ECEDLO C=CCOCC[NH+]1CCN(S(=O)(=O)c2csc(C)n2)CC1 ZINC000339032690 437435767 /nfs/dbraw/zinc/43/57/67/437435767.db2.gz DYOITZWZBBHSGJ-UHFFFAOYSA-N 1 2 331.463 0.960 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CC(=O)N(c4ccccc4)C3)C[C@H]21 ZINC000329954508 437436509 /nfs/dbraw/zinc/43/65/09/437436509.db2.gz OMEMMDFHARCWQA-FVQBIDKESA-N 1 2 344.415 0.721 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CC(=O)N(c4ccccc4)C3)C[C@H]21 ZINC000329954508 437436511 /nfs/dbraw/zinc/43/65/11/437436511.db2.gz OMEMMDFHARCWQA-FVQBIDKESA-N 1 2 344.415 0.721 20 30 ECEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCn2ncnc2C1 ZINC000329957069 437437552 /nfs/dbraw/zinc/43/75/52/437437552.db2.gz LPZMUULHONECJY-UHFFFAOYSA-N 1 2 343.391 0.879 20 30 ECEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)Cn1cnnn1 ZINC000329990119 437442862 /nfs/dbraw/zinc/44/28/62/437442862.db2.gz VWFCUHZSLAHGIH-RYUDHWBXSA-N 1 2 337.359 0.847 20 30 ECEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)Cn1cnnn1 ZINC000329990119 437442868 /nfs/dbraw/zinc/44/28/68/437442868.db2.gz VWFCUHZSLAHGIH-RYUDHWBXSA-N 1 2 337.359 0.847 20 30 ECEDLO CO[C@@H]1C[N@H+](CC(=O)N[C@H](C)C(=O)N2CCCCC2)C[C@@H]1OC ZINC000330168511 437462751 /nfs/dbraw/zinc/46/27/51/437462751.db2.gz CSDFXPFFUKDODT-MCIONIFRSA-N 1 2 327.425 0.690 20 30 ECEDLO CO[C@@H]1C[N@@H+](CC(=O)N[C@H](C)C(=O)N2CCCCC2)C[C@@H]1OC ZINC000330168511 437462755 /nfs/dbraw/zinc/46/27/55/437462755.db2.gz CSDFXPFFUKDODT-MCIONIFRSA-N 1 2 327.425 0.690 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN([C@H](CC(C)C)C(=O)OCC)CC1 ZINC000360069862 437514279 /nfs/dbraw/zinc/51/42/79/437514279.db2.gz REGLYKDIWLAXGX-OAHLLOKOSA-N 1 2 325.453 0.884 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000330511990 437536176 /nfs/dbraw/zinc/53/61/76/437536176.db2.gz JZQJJNVPHQFZJV-RISCZKNCSA-N 1 2 330.454 0.182 20 30 ECEDLO CNC(=O)NCC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000330525262 437540862 /nfs/dbraw/zinc/54/08/62/437540862.db2.gz PYIDNCCWYBULER-TXEJJXNPSA-N 1 2 335.408 0.445 20 30 ECEDLO COc1ccc(C#N)cc1NC(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290482016 437491846 /nfs/dbraw/zinc/49/18/46/437491846.db2.gz ZVHWGEFJHPEFKO-UHFFFAOYSA-N 1 2 325.328 0.744 20 30 ECEDLO NC(=O)[C@@H]1CSCC[N@@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000330551423 437550387 /nfs/dbraw/zinc/55/03/87/437550387.db2.gz BOVFAXVKEHQDRY-ZETCQYMHSA-N 1 2 342.343 0.922 20 30 ECEDLO NC(=O)[C@@H]1CSCC[N@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000330551423 437550389 /nfs/dbraw/zinc/55/03/89/437550389.db2.gz BOVFAXVKEHQDRY-ZETCQYMHSA-N 1 2 342.343 0.922 20 30 ECEDLO C=CCN(C)C(=O)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000340106510 437573165 /nfs/dbraw/zinc/57/31/65/437573165.db2.gz YIYPGFPDLCJMFM-ZIAGYGMSSA-N 1 2 346.431 0.956 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC000189084453 437581962 /nfs/dbraw/zinc/58/19/62/437581962.db2.gz HDDQXYUUNKQDGJ-UONOGXRCSA-N 1 2 337.445 0.775 20 30 ECEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC000189084453 437581965 /nfs/dbraw/zinc/58/19/65/437581965.db2.gz HDDQXYUUNKQDGJ-UONOGXRCSA-N 1 2 337.445 0.775 20 30 ECEDLO C#CC[N@@H+](C)CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC000192220379 437672946 /nfs/dbraw/zinc/67/29/46/437672946.db2.gz JTJYBZVJQDNYFI-GOSISDBHSA-N 1 2 342.399 0.526 20 30 ECEDLO C#CC[N@H+](C)CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC000192220379 437672951 /nfs/dbraw/zinc/67/29/51/437672951.db2.gz JTJYBZVJQDNYFI-GOSISDBHSA-N 1 2 342.399 0.526 20 30 ECEDLO C=CCNC(=O)CN1CCN(Cc2[nH+]ccc(OC)c2OC)CC1 ZINC000354864325 437655014 /nfs/dbraw/zinc/65/50/14/437655014.db2.gz PZRPKAHSXMFQDQ-UHFFFAOYSA-N 1 2 334.420 0.519 20 30 ECEDLO C=CCC1(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCC1 ZINC000191883749 437657413 /nfs/dbraw/zinc/65/74/13/437657413.db2.gz HJGDJVOPXPGNHH-HNNXBMFYSA-N 1 2 335.448 0.782 20 30 ECEDLO CCn1cc(C[N@H+](CCO)CC(=O)NCc2ccc(C#N)cc2)cn1 ZINC000361352088 437660936 /nfs/dbraw/zinc/66/09/36/437660936.db2.gz OFDJQFZFGOYWJZ-UHFFFAOYSA-N 1 2 341.415 0.885 20 30 ECEDLO CCn1cc(C[N@@H+](CCO)CC(=O)NCc2ccc(C#N)cc2)cn1 ZINC000361352088 437660941 /nfs/dbraw/zinc/66/09/41/437660941.db2.gz OFDJQFZFGOYWJZ-UHFFFAOYSA-N 1 2 341.415 0.885 20 30 ECEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355124806 437673912 /nfs/dbraw/zinc/67/39/12/437673912.db2.gz LEUGODNKWAXRDP-UHFFFAOYSA-N 1 2 326.404 0.837 20 30 ECEDLO CC(C)[C@H]1CN(CCS(=O)(=O)c2ccc(C#N)cn2)CC[N@@H+]1C ZINC000343901757 437687225 /nfs/dbraw/zinc/68/72/25/437687225.db2.gz BAIBXOLUVFETSV-OAHLLOKOSA-N 1 2 336.461 0.999 20 30 ECEDLO CC(C)[C@H]1CN(CCS(=O)(=O)c2ccc(C#N)cn2)CC[N@H+]1C ZINC000343901757 437687231 /nfs/dbraw/zinc/68/72/31/437687231.db2.gz BAIBXOLUVFETSV-OAHLLOKOSA-N 1 2 336.461 0.999 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(NC(N)=O)cc1 ZINC000355317893 437695698 /nfs/dbraw/zinc/69/56/98/437695698.db2.gz KSVHPHHPHLZUOP-UHFFFAOYSA-N 1 2 345.403 0.865 20 30 ECEDLO CCCC[C@@H](NC(N)=O)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000355326342 437698421 /nfs/dbraw/zinc/69/84/21/437698421.db2.gz TZGGQQLRMVRJDV-CQSZACIVSA-N 1 2 339.440 0.288 20 30 ECEDLO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC1 ZINC000331169000 437705818 /nfs/dbraw/zinc/70/58/18/437705818.db2.gz UBPQTIYEDYJLKI-AWEZNQCLSA-N 1 2 338.433 0.339 20 30 ECEDLO Cn1nc(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1OC(F)F ZINC000331181507 437708510 /nfs/dbraw/zinc/70/85/10/437708510.db2.gz LRCMXXZGVZWIMO-UHFFFAOYSA-N 1 2 347.366 1.458 20 30 ECEDLO Cn1nc(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1OC(F)F ZINC000331181507 437708513 /nfs/dbraw/zinc/70/85/13/437708513.db2.gz LRCMXXZGVZWIMO-UHFFFAOYSA-N 1 2 347.366 1.458 20 30 ECEDLO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)c1ccc(F)c(C#N)c1 ZINC000340994073 437768854 /nfs/dbraw/zinc/76/88/54/437768854.db2.gz IHTJMIGZUWWDFU-UHFFFAOYSA-N 1 2 349.362 0.645 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000362412905 437737374 /nfs/dbraw/zinc/73/73/74/437737374.db2.gz ITXWQXDNCYOKCT-OAHLLOKOSA-N 1 2 336.436 0.462 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000362412905 437737376 /nfs/dbraw/zinc/73/73/76/437737376.db2.gz ITXWQXDNCYOKCT-OAHLLOKOSA-N 1 2 336.436 0.462 20 30 ECEDLO CCC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000356134630 437751315 /nfs/dbraw/zinc/75/13/15/437751315.db2.gz SHMBAFHMYKVYBO-HIFRSBDPSA-N 1 2 327.450 0.694 20 30 ECEDLO CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000356134630 437751319 /nfs/dbraw/zinc/75/13/19/437751319.db2.gz SHMBAFHMYKVYBO-HIFRSBDPSA-N 1 2 327.450 0.694 20 30 ECEDLO Cn1cc(N2CC[C@@H]([NH2+][C@H](C(N)=O)c3ccc(C#N)cc3)C2=O)cn1 ZINC000344575256 437760213 /nfs/dbraw/zinc/76/02/13/437760213.db2.gz BXFJUKKGKWIKHS-CABCVRRESA-N 1 2 338.371 0.213 20 30 ECEDLO CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000347019785 437825542 /nfs/dbraw/zinc/82/55/42/437825542.db2.gz SQBRCJRPFKCBDS-OAHLLOKOSA-N 1 2 337.383 0.844 20 30 ECEDLO CCN(CC)C(=O)C[NH+]1CCN([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000345160989 437780736 /nfs/dbraw/zinc/78/07/36/437780736.db2.gz QQOQHXXOXQCKSM-HNNXBMFYSA-N 1 2 349.479 0.423 20 30 ECEDLO N#Cc1ccncc1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000345164734 437781611 /nfs/dbraw/zinc/78/16/11/437781611.db2.gz LTNWNZPRVXWNDQ-UHFFFAOYSA-N 1 2 337.387 0.295 20 30 ECEDLO C=C[C@H](CO)NC(=O)[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000356838985 437845908 /nfs/dbraw/zinc/84/59/08/437845908.db2.gz QBXVYAQTPBPHDQ-FFSVYQOJSA-N 1 2 332.404 0.525 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC(N2C(=O)CCCC2=O)CC1)C1CC1 ZINC000365047030 437850284 /nfs/dbraw/zinc/85/02/84/437850284.db2.gz BUAXLGOVNCLHKN-SFHVURJKSA-N 1 2 346.431 0.798 20 30 ECEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(S(=O)(=O)[C@@H](C)C#N)CC1 ZINC000416367997 437921138 /nfs/dbraw/zinc/92/11/38/437921138.db2.gz HCOPDSQLVQYWBN-ZDUSSCGKSA-N 1 2 330.454 0.104 20 30 ECEDLO CCN(CC)C(=O)C[N@H+]1CCCN(S(=O)(=O)[C@@H](C)C#N)CC1 ZINC000416367997 437921142 /nfs/dbraw/zinc/92/11/42/437921142.db2.gz HCOPDSQLVQYWBN-ZDUSSCGKSA-N 1 2 330.454 0.104 20 30 ECEDLO C=CC[C@@H](CO)NC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000365581512 437935242 /nfs/dbraw/zinc/93/52/42/437935242.db2.gz OQBVNWMRORHTPP-UQPPLGOBSA-N 1 2 341.452 0.493 20 30 ECEDLO COC(=O)C[C@H]1COCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000347457063 437895361 /nfs/dbraw/zinc/89/53/61/437895361.db2.gz PONNFTLZSHBZNS-LSDHHAIUSA-N 1 2 334.372 0.562 20 30 ECEDLO COC(=O)C[C@H]1COCC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000347457063 437895366 /nfs/dbraw/zinc/89/53/66/437895366.db2.gz PONNFTLZSHBZNS-LSDHHAIUSA-N 1 2 334.372 0.562 20 30 ECEDLO COCC1(C#N)CCN(C(=O)C(=O)Nc2c[nH+]ccc2OC)CC1 ZINC000342264691 437991447 /nfs/dbraw/zinc/99/14/47/437991447.db2.gz KHQXTTKPHQZUJI-UHFFFAOYSA-N 1 2 332.360 0.807 20 30 ECEDLO C=CCOc1cccnc1C(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000342040355 437951995 /nfs/dbraw/zinc/95/19/95/437951995.db2.gz GYUYUFCUWFSBJU-UHFFFAOYSA-N 1 2 346.431 0.930 20 30 ECEDLO C=CCOc1cccnc1C(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000342040355 437951999 /nfs/dbraw/zinc/95/19/99/437951999.db2.gz GYUYUFCUWFSBJU-UHFFFAOYSA-N 1 2 346.431 0.930 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)cc1 ZINC000371810185 437993528 /nfs/dbraw/zinc/99/35/28/437993528.db2.gz JYMASTHEJWCXAV-MRXNPFEDSA-N 1 2 326.400 0.985 20 30 ECEDLO C[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC[N@@H+]1CCO ZINC000428168249 438087063 /nfs/dbraw/zinc/08/70/63/438087063.db2.gz UPNYRXAKGDYTNU-CXAGYDPISA-N 1 2 339.436 0.773 20 30 ECEDLO C[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC[N@H+]1CCO ZINC000428168249 438087064 /nfs/dbraw/zinc/08/70/64/438087064.db2.gz UPNYRXAKGDYTNU-CXAGYDPISA-N 1 2 339.436 0.773 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](c2n[nH]cc2C(=O)NCCOC)C1 ZINC000372271252 438060059 /nfs/dbraw/zinc/06/00/59/438060059.db2.gz AAHMSJPYYJMARU-ZDUSSCGKSA-N 1 2 349.435 0.268 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](c2n[nH]cc2C(=O)NCCOC)C1 ZINC000372271252 438060062 /nfs/dbraw/zinc/06/00/62/438060062.db2.gz AAHMSJPYYJMARU-ZDUSSCGKSA-N 1 2 349.435 0.268 20 30 ECEDLO C=CCOC[C@H]1NC(=O)N(Cc2cc[nH+]c(N3CCOCC3)c2)C1=O ZINC000348451038 438063087 /nfs/dbraw/zinc/06/30/87/438063087.db2.gz AHOAYSPWGVTANJ-CQSZACIVSA-N 1 2 346.387 0.541 20 30 ECEDLO C=CC[N@@H+](C)CCN(CC)[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000429708318 438103870 /nfs/dbraw/zinc/10/38/70/438103870.db2.gz JVDYZOOFGBNJAD-UONOGXRCSA-N 1 2 331.482 0.118 20 30 ECEDLO C=CC[N@H+](C)CCN(CC)[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000429708318 438103873 /nfs/dbraw/zinc/10/38/73/438103873.db2.gz JVDYZOOFGBNJAD-UONOGXRCSA-N 1 2 331.482 0.118 20 30 ECEDLO CCOC(=O)C1(O)CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000348538221 438074044 /nfs/dbraw/zinc/07/40/44/438074044.db2.gz AGNYYTZUJDICKV-BBRMVZONSA-N 1 2 339.436 0.819 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000366721204 438118684 /nfs/dbraw/zinc/11/86/84/438118684.db2.gz QSMFROGGADKUJW-QWHCGFSZSA-N 1 2 342.465 0.341 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000366721204 438118689 /nfs/dbraw/zinc/11/86/89/438118689.db2.gz QSMFROGGADKUJW-QWHCGFSZSA-N 1 2 342.465 0.341 20 30 ECEDLO C#CCNC(=O)N1CC[NH+]([C@@H]2CCCN(C3CCOCC3)C2=O)CC1 ZINC000373126949 438130722 /nfs/dbraw/zinc/13/07/22/438130722.db2.gz RRBCKUCXARYIEY-MRXNPFEDSA-N 1 2 348.447 0.117 20 30 ECEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000349877467 438187610 /nfs/dbraw/zinc/18/76/10/438187610.db2.gz HSONXYBJYNGLKG-UHFFFAOYSA-N 1 2 343.435 0.484 20 30 ECEDLO Cc1nn(C)c(N2CC[NH+]([C@H](C)C(=O)N(C)C(C)C)CC2)c1C#N ZINC000349916720 438189900 /nfs/dbraw/zinc/18/99/00/438189900.db2.gz XGCVKHRVTZKUHB-CQSZACIVSA-N 1 2 332.452 0.978 20 30 ECEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cnn(CC[NH+]2CCOCC2)c1 ZINC000373889263 438173313 /nfs/dbraw/zinc/17/33/13/438173313.db2.gz CLJSLMNCNGCTNQ-DOTOQJQBSA-N 1 2 348.447 0.926 20 30 ECEDLO CC(C)[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000432921698 438217132 /nfs/dbraw/zinc/21/71/32/438217132.db2.gz FQZJMIGMAFNQRZ-OAHLLOKOSA-N 1 2 337.445 0.881 20 30 ECEDLO CC(C)[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000432921697 438217589 /nfs/dbraw/zinc/21/75/89/438217589.db2.gz FQZJMIGMAFNQRZ-HNNXBMFYSA-N 1 2 337.445 0.881 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H](C#N)CCc1ccccc1 ZINC000433381996 438242978 /nfs/dbraw/zinc/24/29/78/438242978.db2.gz BLOVACSUKWTRDK-MSOLQXFVSA-N 1 2 345.443 0.910 20 30 ECEDLO CN1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@H]1C#N ZINC000375227949 438244268 /nfs/dbraw/zinc/24/42/68/438244268.db2.gz DZFOXVPXLLBJRE-OAHLLOKOSA-N 1 2 328.420 0.900 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCC(C)(C)CCC#N ZINC000358701129 438284829 /nfs/dbraw/zinc/28/48/29/438284829.db2.gz YKEYQPURZKPEPE-AWEZNQCLSA-N 1 2 326.441 0.651 20 30 ECEDLO C[C@@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@@]2(CCCOC2)O1 ZINC000377214539 438306132 /nfs/dbraw/zinc/30/61/32/438306132.db2.gz NJOJZQFIPACHGB-NVXWUHKLSA-N 1 2 334.420 0.912 20 30 ECEDLO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@@]2(CCCOC2)O1 ZINC000377214539 438306135 /nfs/dbraw/zinc/30/61/35/438306135.db2.gz NJOJZQFIPACHGB-NVXWUHKLSA-N 1 2 334.420 0.912 20 30 ECEDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000352571030 438445257 /nfs/dbraw/zinc/44/52/57/438445257.db2.gz OZQJYGAQHOXNEM-HIFRSBDPSA-N 1 2 342.465 0.151 20 30 ECEDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000352571030 438445260 /nfs/dbraw/zinc/44/52/60/438445260.db2.gz OZQJYGAQHOXNEM-HIFRSBDPSA-N 1 2 342.465 0.151 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCO2)CC1)C1CC1 ZINC000368914190 438399679 /nfs/dbraw/zinc/39/96/79/438399679.db2.gz WUUZLJWUHXJZSM-QAPCUYQASA-N 1 2 348.447 0.508 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCO2)CC1)C1CC1 ZINC000368914190 438399683 /nfs/dbraw/zinc/39/96/83/438399683.db2.gz WUUZLJWUHXJZSM-QAPCUYQASA-N 1 2 348.447 0.508 20 30 ECEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352889409 438488389 /nfs/dbraw/zinc/48/83/89/438488389.db2.gz YNFMWGJFWMNJQP-KBRIMQKVSA-N 1 2 328.416 0.880 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000352598820 438447804 /nfs/dbraw/zinc/44/78/04/438447804.db2.gz ZLQLGFTUZWWZHK-RDBSUJKOSA-N 1 2 330.454 0.118 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCOC1CCOCC1 ZINC000439924351 438526708 /nfs/dbraw/zinc/52/67/08/438526708.db2.gz SLEZWWHAGJWIQL-UHFFFAOYSA-N 1 2 339.436 0.647 20 30 ECEDLO CC#CCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000440725809 438562772 /nfs/dbraw/zinc/56/27/72/438562772.db2.gz GGGJKERZRBPCCB-UHFFFAOYSA-N 1 2 330.388 0.695 20 30 ECEDLO Cn1ncc(C(=O)N2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)c1C#N ZINC000442843466 438628514 /nfs/dbraw/zinc/62/85/14/438628514.db2.gz JYSFMSCLYIYEPB-QGZVFWFLSA-N 1 2 347.419 0.828 20 30 ECEDLO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C)n2)C[C@@H]1C ZINC000453648979 438686017 /nfs/dbraw/zinc/68/60/17/438686017.db2.gz UKICPMQCOMAUQB-LBPRGKRZSA-N 1 2 345.403 0.379 20 30 ECEDLO COCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C)n2)C[C@@H]1C ZINC000453648979 438686023 /nfs/dbraw/zinc/68/60/23/438686023.db2.gz UKICPMQCOMAUQB-LBPRGKRZSA-N 1 2 345.403 0.379 20 30 ECEDLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(CC#N)c2)CC[N@@H+]1CCO ZINC000453714862 438690708 /nfs/dbraw/zinc/69/07/08/438690708.db2.gz KRAYXQYBCRXDCE-ZDUSSCGKSA-N 1 2 330.388 0.216 20 30 ECEDLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(CC#N)c2)CC[N@H+]1CCO ZINC000453714862 438690712 /nfs/dbraw/zinc/69/07/12/438690712.db2.gz KRAYXQYBCRXDCE-ZDUSSCGKSA-N 1 2 330.388 0.216 20 30 ECEDLO N#Cc1ncn(CC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000495088918 438718383 /nfs/dbraw/zinc/71/83/83/438718383.db2.gz WLMMSXONWVKZSD-UHFFFAOYSA-N 1 2 326.360 0.621 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000576803385 438799162 /nfs/dbraw/zinc/79/91/62/438799162.db2.gz VBUWKPFODGHAIW-FGTMMUONSA-N 1 2 343.427 0.813 20 30 ECEDLO N#CC1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000558231544 438805492 /nfs/dbraw/zinc/80/54/92/438805492.db2.gz KZLUUJWDOYLQFT-HOTGVXAUSA-N 1 2 348.447 0.508 20 30 ECEDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000575989111 438762643 /nfs/dbraw/zinc/76/26/43/438762643.db2.gz PJGVCHSSKZITDK-CYBMUJFWSA-N 1 2 334.405 0.115 20 30 ECEDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000575989111 438762646 /nfs/dbraw/zinc/76/26/46/438762646.db2.gz PJGVCHSSKZITDK-CYBMUJFWSA-N 1 2 334.405 0.115 20 30 ECEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCC3(C#N)CC3)ccn2)CC1 ZINC000559413010 438836515 /nfs/dbraw/zinc/83/65/15/438836515.db2.gz BEQWZPVKKXZOMF-UHFFFAOYSA-N 1 2 342.403 0.894 20 30 ECEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC(=O)NCC#N)c1ccccc1 ZINC000561421584 438845825 /nfs/dbraw/zinc/84/58/25/438845825.db2.gz BASLTONRHGJYGT-CQSZACIVSA-N 1 2 326.360 0.448 20 30 ECEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C[C@H]1COCCO1 ZINC000595734803 438851602 /nfs/dbraw/zinc/85/16/02/438851602.db2.gz BKLOJSPYMWCXBF-ZDUSSCGKSA-N 1 2 325.390 0.074 20 30 ECEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C[C@H]1COCCO1 ZINC000595734803 438851607 /nfs/dbraw/zinc/85/16/07/438851607.db2.gz BKLOJSPYMWCXBF-ZDUSSCGKSA-N 1 2 325.390 0.074 20 30 ECEDLO CC1(C)[C@@H](NS(=O)(=O)CC2(C#N)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000601451784 438899773 /nfs/dbraw/zinc/89/97/73/438899773.db2.gz AKKCJIFDEICGEX-STQMWFEESA-N 1 2 327.450 0.709 20 30 ECEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(CS(C)(=O)=O)cc1 ZINC000577723221 438864749 /nfs/dbraw/zinc/86/47/49/438864749.db2.gz KVGCTMDDHRZMOO-OAHLLOKOSA-N 1 2 325.434 0.849 20 30 ECEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(CS(C)(=O)=O)cc1 ZINC000577723221 438864752 /nfs/dbraw/zinc/86/47/52/438864752.db2.gz KVGCTMDDHRZMOO-OAHLLOKOSA-N 1 2 325.434 0.849 20 30 ECEDLO COC[C@@]1(C(=O)OC)CCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000595821852 438868477 /nfs/dbraw/zinc/86/84/77/438868477.db2.gz ZIIZGLZIPMTAGR-CRAIPNDOSA-N 1 2 348.399 0.952 20 30 ECEDLO COC[C@@]1(C(=O)OC)CCC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000595821852 438868481 /nfs/dbraw/zinc/86/84/81/438868481.db2.gz ZIIZGLZIPMTAGR-CRAIPNDOSA-N 1 2 348.399 0.952 20 30 ECEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2cccc(C#N)n2)CC1 ZINC000589448828 438871625 /nfs/dbraw/zinc/87/16/25/438871625.db2.gz JXWLKUBZPAFFHE-AWEZNQCLSA-N 1 2 341.415 0.722 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](CO)c1ccc(F)cc1F ZINC000595866453 438872262 /nfs/dbraw/zinc/87/22/62/438872262.db2.gz GZWQOMMKSWIKDH-ZANVPECISA-N 1 2 327.331 0.988 20 30 ECEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000589902015 438888499 /nfs/dbraw/zinc/88/84/99/438888499.db2.gz NIDMYVAXGXJUAL-HZMBPMFUSA-N 1 2 327.381 0.695 20 30 ECEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000589902015 438888503 /nfs/dbraw/zinc/88/85/03/438888503.db2.gz NIDMYVAXGXJUAL-HZMBPMFUSA-N 1 2 327.381 0.695 20 30 ECEDLO CC(C)OC[C@@H](O)Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000517175707 438954490 /nfs/dbraw/zinc/95/44/90/438954490.db2.gz JCYBMAAVDKHMCC-INIZCTEOSA-N 1 2 335.404 0.338 20 30 ECEDLO Cc1nsc(NC(=O)N(CCO)CC[NH+]2CCOCC2)c1C#N ZINC000459590681 438978841 /nfs/dbraw/zinc/97/88/41/438978841.db2.gz SQBKMEDRSHOXGP-UHFFFAOYSA-N 1 2 339.421 0.482 20 30 ECEDLO CNC(=O)COc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1OC ZINC000579126977 438982656 /nfs/dbraw/zinc/98/26/56/438982656.db2.gz XECAJWLSVIDZRE-KRWDZBQOSA-N 1 2 348.403 0.394 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)c1 ZINC000579224481 438990363 /nfs/dbraw/zinc/99/03/63/438990363.db2.gz RGRGZTMEDSIKBR-CYBMUJFWSA-N 1 2 331.401 0.940 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@H](c3nnc[nH]3)C2)c1 ZINC000579224481 438990367 /nfs/dbraw/zinc/99/03/67/438990367.db2.gz RGRGZTMEDSIKBR-CYBMUJFWSA-N 1 2 331.401 0.940 20 30 ECEDLO CN(C)C(=O)COC1C[NH+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000601959694 438993379 /nfs/dbraw/zinc/99/33/79/438993379.db2.gz QSEGIDAGOXOKKC-AWEZNQCLSA-N 1 2 333.388 0.087 20 30 ECEDLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)CC1 ZINC000602028754 438999778 /nfs/dbraw/zinc/99/97/78/438999778.db2.gz DLNHIHZFBAZCCL-UHFFFAOYSA-N 1 2 348.378 0.817 20 30 ECEDLO C[C@@H](NC(=O)C(=O)Nc1cc(F)cc(C#N)c1)[C@H](C)[NH+]1CCOCC1 ZINC000602025670 439000355 /nfs/dbraw/zinc/00/03/55/439000355.db2.gz ZULGKEGCCQMWLW-NEPJUHHUSA-N 1 2 348.378 0.861 20 30 ECEDLO C[C@]1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCNC1=O ZINC000602034007 439000995 /nfs/dbraw/zinc/00/09/95/439000995.db2.gz RBYXKGIDPHKEPG-SFHVURJKSA-N 1 2 326.400 0.729 20 30 ECEDLO N#Cc1ccncc1N1CC[NH+]([C@H]2CC(=O)N(C3CC3)C2=O)CC1 ZINC000579426347 439006290 /nfs/dbraw/zinc/00/62/90/439006290.db2.gz VOIYVOUFXWKUQB-AWEZNQCLSA-N 1 2 325.372 0.365 20 30 ECEDLO C=CCCSCCNC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000597193912 439055614 /nfs/dbraw/zinc/05/56/14/439055614.db2.gz WBETWVMRXSCORL-CYBMUJFWSA-N 1 2 329.466 0.249 20 30 ECEDLO CC[C@H](C)[C@@H](NC(=O)[C@H](C)CC#N)C(=O)NCC[NH+]1CCOCC1 ZINC000597207964 439058563 /nfs/dbraw/zinc/05/85/63/439058563.db2.gz IHWUKRMCTMNOJF-RRFJBIMHSA-N 1 2 338.452 0.515 20 30 ECEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2CCN(CC#N)CC2)cc1 ZINC000602104799 439013329 /nfs/dbraw/zinc/01/33/29/439013329.db2.gz UNQPDQMRBQBGPJ-KRWDZBQOSA-N 1 2 328.416 0.937 20 30 ECEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2CCN(CC#N)CC2)cc1 ZINC000602104799 439013335 /nfs/dbraw/zinc/01/33/35/439013335.db2.gz UNQPDQMRBQBGPJ-KRWDZBQOSA-N 1 2 328.416 0.937 20 30 ECEDLO C[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1[nH+]ccn1C ZINC000596938709 439017800 /nfs/dbraw/zinc/01/78/00/439017800.db2.gz TVUFDFQGDNLFJI-JTQLQIEISA-N 1 2 330.396 0.932 20 30 ECEDLO CO[C@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)[C@@H]1CCOC1 ZINC000597023720 439030601 /nfs/dbraw/zinc/03/06/01/439030601.db2.gz ZKGXBJNJIPMIFU-CABCVRRESA-N 1 2 325.409 0.112 20 30 ECEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc(NS(C)(=O)=O)c1 ZINC000566968943 439103046 /nfs/dbraw/zinc/10/30/46/439103046.db2.gz MTBNNBZNRRCXEJ-CQSZACIVSA-N 1 2 326.422 0.676 20 30 ECEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(NS(C)(=O)=O)c1 ZINC000566968943 439103052 /nfs/dbraw/zinc/10/30/52/439103052.db2.gz MTBNNBZNRRCXEJ-CQSZACIVSA-N 1 2 326.422 0.676 20 30 ECEDLO Cn1ncc2c1ncnc2N1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602432816 439083531 /nfs/dbraw/zinc/08/35/31/439083531.db2.gz HUIUJZAOCWRHKK-UHFFFAOYSA-N 1 2 334.387 0.952 20 30 ECEDLO CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592149754 439167785 /nfs/dbraw/zinc/16/77/85/439167785.db2.gz WAHBFXZBRKALHK-SJCJKPOMSA-N 1 2 330.388 0.724 20 30 ECEDLO CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592149754 439167787 /nfs/dbraw/zinc/16/77/87/439167787.db2.gz WAHBFXZBRKALHK-SJCJKPOMSA-N 1 2 330.388 0.724 20 30 ECEDLO CO[C@H]1C[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)[C@](C)(CO)C1 ZINC000602961230 439168522 /nfs/dbraw/zinc/16/85/22/439168522.db2.gz AUJYSSRFMBSYQL-ZBFHGGJFSA-N 1 2 338.429 0.804 20 30 ECEDLO CO[C@H]1C[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)[C@](C)(CO)C1 ZINC000602961230 439168527 /nfs/dbraw/zinc/16/85/27/439168527.db2.gz AUJYSSRFMBSYQL-ZBFHGGJFSA-N 1 2 338.429 0.804 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNS(=O)(=O)c2ccccc2)C[C@H](C)N1CC#N ZINC000602855220 439144362 /nfs/dbraw/zinc/14/43/62/439144362.db2.gz GOYWYXBWSRLNSP-GASCZTMLSA-N 1 2 336.461 0.883 20 30 ECEDLO C[C@@H]1C[N@H+](CCNS(=O)(=O)c2ccccc2)C[C@H](C)N1CC#N ZINC000602855220 439144369 /nfs/dbraw/zinc/14/43/69/439144369.db2.gz GOYWYXBWSRLNSP-GASCZTMLSA-N 1 2 336.461 0.883 20 30 ECEDLO C[C@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1nnnn1-c1ccccc1 ZINC000525885569 439224305 /nfs/dbraw/zinc/22/43/05/439224305.db2.gz BLEFKGCNMTZEFS-LBPRGKRZSA-N 1 2 325.376 0.875 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000592192614 439174927 /nfs/dbraw/zinc/17/49/27/439174927.db2.gz CMJVITCEEWXOSH-FRRDWIJNSA-N 1 2 349.412 0.581 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000592192614 439174929 /nfs/dbraw/zinc/17/49/29/439174929.db2.gz CMJVITCEEWXOSH-FRRDWIJNSA-N 1 2 349.412 0.581 20 30 ECEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987819 439177629 /nfs/dbraw/zinc/17/76/29/439177629.db2.gz SBKWQQJEZLKRHT-NWDGAFQWSA-N 1 2 332.326 0.745 20 30 ECEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987819 439177633 /nfs/dbraw/zinc/17/76/33/439177633.db2.gz SBKWQQJEZLKRHT-NWDGAFQWSA-N 1 2 332.326 0.745 20 30 ECEDLO CCOC(=O)[C@@]1(C)C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)CCO1 ZINC000603005967 439182068 /nfs/dbraw/zinc/18/20/68/439182068.db2.gz UHXDSIVAEZNQMM-GDBMZVCRSA-N 1 2 340.420 0.712 20 30 ECEDLO CCOC(=O)[C@@]1(C)C[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)CCO1 ZINC000603005967 439182071 /nfs/dbraw/zinc/18/20/71/439182071.db2.gz UHXDSIVAEZNQMM-GDBMZVCRSA-N 1 2 340.420 0.712 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)Cn1cc(C[NH+]2CCSCC2)nn1 ZINC000603170347 439201377 /nfs/dbraw/zinc/20/13/77/439201377.db2.gz BCUQPQXOYKPIIS-HNNXBMFYSA-N 1 2 336.465 0.881 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H](n3cc([C@H]4COCC[NH2+]4)nn3)C2=O)cc1 ZINC000603190176 439205873 /nfs/dbraw/zinc/20/58/73/439205873.db2.gz CYAIULHPMPIVMG-HZPDHXFCSA-N 1 2 338.371 0.789 20 30 ECEDLO C[N@H+](Cc1cnc2c(C#N)cnn2c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000568089290 439212858 /nfs/dbraw/zinc/21/28/58/439212858.db2.gz QAHJMMAKKGIIDJ-ZDUSSCGKSA-N 1 2 334.405 0.067 20 30 ECEDLO C[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000568089290 439212862 /nfs/dbraw/zinc/21/28/62/439212862.db2.gz QAHJMMAKKGIIDJ-ZDUSSCGKSA-N 1 2 334.405 0.067 20 30 ECEDLO Cc1nsc(N2CCC[N@H+](CC(=O)NC3(C#N)CCC3)CC2)n1 ZINC000526135350 439242748 /nfs/dbraw/zinc/24/27/48/439242748.db2.gz IRDCGTHCFKBJGT-UHFFFAOYSA-N 1 2 334.449 0.921 20 30 ECEDLO Cc1nsc(N2CCC[N@@H+](CC(=O)NC3(C#N)CCC3)CC2)n1 ZINC000526135350 439242749 /nfs/dbraw/zinc/24/27/49/439242749.db2.gz IRDCGTHCFKBJGT-UHFFFAOYSA-N 1 2 334.449 0.921 20 30 ECEDLO Cn1c2ccccc2n(CCC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1=O ZINC000581761455 439250660 /nfs/dbraw/zinc/25/06/60/439250660.db2.gz YOXVGEDEDPPULT-KRWDZBQOSA-N 1 2 329.404 0.690 20 30 ECEDLO C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc[nH+]cc2O)c1 ZINC000490539405 439273268 /nfs/dbraw/zinc/27/32/68/439273268.db2.gz MUTICTWGJNHNKG-UHFFFAOYSA-N 1 2 331.353 0.373 20 30 ECEDLO C#C[C@H](NC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C(C)C ZINC000490974863 439320020 /nfs/dbraw/zinc/32/00/20/439320020.db2.gz QZOGZNVLDYJUFT-UONOGXRCSA-N 1 2 331.420 0.868 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C)cc2OC)CC1 ZINC000491038352 439323760 /nfs/dbraw/zinc/32/37/60/439323760.db2.gz JDVKCWXUDZOIPT-UHFFFAOYSA-N 1 2 343.427 0.901 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C)cc2OC)CC1 ZINC000491038352 439323765 /nfs/dbraw/zinc/32/37/65/439323765.db2.gz JDVKCWXUDZOIPT-UHFFFAOYSA-N 1 2 343.427 0.901 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CC(=O)N(C)Cc2ccccc2)CC1 ZINC000491071622 439327815 /nfs/dbraw/zinc/32/78/15/439327815.db2.gz MDLSNCCKOSHWAQ-UHFFFAOYSA-N 1 2 342.443 0.012 20 30 ECEDLO CCNC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528344219 439328400 /nfs/dbraw/zinc/32/84/00/439328400.db2.gz HRBPUNWOGFDGET-HNNXBMFYSA-N 1 2 332.404 0.645 20 30 ECEDLO C#CCN(C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)C1CCCC1 ZINC000491128047 439336946 /nfs/dbraw/zinc/33/69/46/439336946.db2.gz YYQCTNLBBVYGNP-CABCVRRESA-N 1 2 335.448 0.616 20 30 ECEDLO CCC[C@@H]1C(=O)NCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528434972 439337176 /nfs/dbraw/zinc/33/71/76/439337176.db2.gz YEZPOGZQHKMHPT-MRXNPFEDSA-N 1 2 339.395 0.887 20 30 ECEDLO CCC[C@@H]1C(=O)NCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528434972 439337183 /nfs/dbraw/zinc/33/71/83/439337183.db2.gz YEZPOGZQHKMHPT-MRXNPFEDSA-N 1 2 339.395 0.887 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000491128207 439337677 /nfs/dbraw/zinc/33/76/77/439337677.db2.gz ZIOJDOKZLYVMCN-GOSISDBHSA-N 1 2 342.443 0.183 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCOC[C@@H]2c2cccn2C)CC1 ZINC000490739695 439292837 /nfs/dbraw/zinc/29/28/37/439292837.db2.gz JZVXGBXMMUDCON-QGZVFWFLSA-N 1 2 330.432 0.176 20 30 ECEDLO C[C@@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@H](C(N)=O)C1 ZINC000528467250 439338135 /nfs/dbraw/zinc/33/81/35/439338135.db2.gz YVRMBRNDGBIMTE-CJNGLKHVSA-N 1 2 339.395 0.872 20 30 ECEDLO C[C@@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@H](C(N)=O)C1 ZINC000528467250 439338138 /nfs/dbraw/zinc/33/81/38/439338138.db2.gz YVRMBRNDGBIMTE-CJNGLKHVSA-N 1 2 339.395 0.872 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCO[C@H](c3cccc(F)c3)C2)CC1 ZINC000490739375 439293051 /nfs/dbraw/zinc/29/30/51/439293051.db2.gz DAOIVLFNIHXGHT-SFHVURJKSA-N 1 2 345.418 0.976 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+](C)Cc2cc(OC)cc(OC)c2)CC1 ZINC000490741572 439293941 /nfs/dbraw/zinc/29/39/41/439293941.db2.gz STMNRYAQMAVRQN-UHFFFAOYSA-N 1 2 345.443 0.913 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+](C)Cc2cc(OC)cc(OC)c2)CC1 ZINC000490741572 439293946 /nfs/dbraw/zinc/29/39/46/439293946.db2.gz STMNRYAQMAVRQN-UHFFFAOYSA-N 1 2 345.443 0.913 20 30 ECEDLO C#CCN1CCN(C(=O)CSc2[nH+]cnc3c2cnn3C)CC1 ZINC000490762141 439296194 /nfs/dbraw/zinc/29/61/94/439296194.db2.gz FVTJKTNLGZXPCS-UHFFFAOYSA-N 1 2 330.417 0.233 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CON=C(N)Cc2nc(C)cs2)CC1 ZINC000490799329 439299550 /nfs/dbraw/zinc/29/95/50/439299550.db2.gz FURZVMSFRVPQKM-UHFFFAOYSA-N 1 2 335.433 0.270 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000490914327 439309647 /nfs/dbraw/zinc/30/96/47/439309647.db2.gz HJYGXTDYVKCJGD-HUUCEWRRSA-N 1 2 335.448 0.474 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000490914327 439309652 /nfs/dbraw/zinc/30/96/52/439309652.db2.gz HJYGXTDYVKCJGD-HUUCEWRRSA-N 1 2 335.448 0.474 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\c2cccnc2C)CC1 ZINC000491299220 439364875 /nfs/dbraw/zinc/36/48/75/439364875.db2.gz YWRBTNDZDBFHQW-FPLPWBNLSA-N 1 2 340.427 0.687 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\c2cccnc2C)CC1 ZINC000491299220 439364880 /nfs/dbraw/zinc/36/48/80/439364880.db2.gz YWRBTNDZDBFHQW-FPLPWBNLSA-N 1 2 340.427 0.687 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2OC)CC1 ZINC000491166592 439343478 /nfs/dbraw/zinc/34/34/78/439343478.db2.gz SMGDQSUBNUSQHJ-CVEARBPZSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2OC)CC1 ZINC000491166592 439343483 /nfs/dbraw/zinc/34/34/83/439343483.db2.gz SMGDQSUBNUSQHJ-CVEARBPZSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+](CC2CC2)[C@@](C)(CC)C(=O)OC)CC1 ZINC000491483629 439391868 /nfs/dbraw/zinc/39/18/68/439391868.db2.gz CWWGALSQDAZSNE-IBGZPJMESA-N 1 2 349.475 0.818 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+](CC2CC2)[C@@](C)(CC)C(=O)OC)CC1 ZINC000491483629 439391872 /nfs/dbraw/zinc/39/18/72/439391872.db2.gz CWWGALSQDAZSNE-IBGZPJMESA-N 1 2 349.475 0.818 20 30 ECEDLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccsc2C#N)CC1 ZINC000593530589 439393711 /nfs/dbraw/zinc/39/37/11/439393711.db2.gz KOXUPBBWGKOPHM-UHFFFAOYSA-N 1 2 342.446 0.108 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000582967532 439404863 /nfs/dbraw/zinc/40/48/63/439404863.db2.gz GLZZVUNOJPJIPF-GOSISDBHSA-N 1 2 342.399 0.909 20 30 ECEDLO C#C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)(C)C ZINC000491630030 439414702 /nfs/dbraw/zinc/41/47/02/439414702.db2.gz WTNUBHALKMMMII-CABCVRRESA-N 1 2 335.448 0.331 20 30 ECEDLO C#C[C@H](C)[N@H+](C)CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C ZINC000491626799 439414963 /nfs/dbraw/zinc/41/49/63/439414963.db2.gz LZBDQCBBQGSDMF-NWDGAFQWSA-N 1 2 335.429 0.565 20 30 ECEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C ZINC000491626799 439414968 /nfs/dbraw/zinc/41/49/68/439414968.db2.gz LZBDQCBBQGSDMF-NWDGAFQWSA-N 1 2 335.429 0.565 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCOC[C@@H]2c2ccc(F)cc2)CC1 ZINC000491669624 439425060 /nfs/dbraw/zinc/42/50/60/439425060.db2.gz PVYBVPCJWXMKPN-GOSISDBHSA-N 1 2 345.418 0.976 20 30 ECEDLO N#Cc1ccncc1N1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000570570782 439432416 /nfs/dbraw/zinc/43/24/16/439432416.db2.gz HSUDKWOSOQMFNX-UHFFFAOYSA-N 1 2 325.376 0.682 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2ccn(CC(F)(F)F)n2)CC1 ZINC000491731900 439437583 /nfs/dbraw/zinc/43/75/83/439437583.db2.gz BFYYAHWALJUHOC-UHFFFAOYSA-N 1 2 343.353 0.312 20 30 ECEDLO C#CC[N@@H+](CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C)C1CC1 ZINC000491735012 439437835 /nfs/dbraw/zinc/43/78/35/439437835.db2.gz TZFPBBFIHQLPHW-LBPRGKRZSA-N 1 2 347.440 0.709 20 30 ECEDLO C#CC[N@H+](CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C)C1CC1 ZINC000491735012 439437838 /nfs/dbraw/zinc/43/78/38/439437838.db2.gz TZFPBBFIHQLPHW-LBPRGKRZSA-N 1 2 347.440 0.709 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)/C=C\c1ccc(C#N)cc1 ZINC000492082471 439492801 /nfs/dbraw/zinc/49/28/01/439492801.db2.gz HMILKTSLRBOIDK-TUYSUELWSA-N 1 2 329.400 0.723 20 30 ECEDLO N#CCc1ccc(CS(=O)(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1 ZINC000571438227 439503585 /nfs/dbraw/zinc/50/35/85/439503585.db2.gz AIIUSUCETSAXEZ-MRXNPFEDSA-N 1 2 334.445 0.172 20 30 ECEDLO CN(CCC#N)S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000532422173 439517916 /nfs/dbraw/zinc/51/79/16/439517916.db2.gz GNGRQCBJVBNDEU-ZIAGYGMSSA-N 1 2 330.454 0.310 20 30 ECEDLO CN(CCC#N)S(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000532422171 439518946 /nfs/dbraw/zinc/51/89/46/439518946.db2.gz GNGRQCBJVBNDEU-KGLIPLIRSA-N 1 2 330.454 0.310 20 30 ECEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000594314535 439540813 /nfs/dbraw/zinc/54/08/13/439540813.db2.gz KMVIDQXPLZYDNR-YJBOKZPZSA-N 1 2 345.443 0.888 20 30 ECEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CCOC[C@@H]2CCCO2)c1=O ZINC000571538719 439511898 /nfs/dbraw/zinc/51/18/98/439511898.db2.gz TVKHTMFLFWLLFK-KRWDZBQOSA-N 1 2 347.415 0.748 20 30 ECEDLO CCCc1nc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)no1 ZINC000584562122 439600341 /nfs/dbraw/zinc/60/03/41/439600341.db2.gz SCYVZVWVLOICDL-UHFFFAOYSA-N 1 2 343.387 0.936 20 30 ECEDLO COC(=O)C[C@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000610605411 439631560 /nfs/dbraw/zinc/63/15/60/439631560.db2.gz JPEVMPILDFTZIH-WBVHZDCISA-N 1 2 348.399 0.756 20 30 ECEDLO COC(=O)C[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000610605411 439631562 /nfs/dbraw/zinc/63/15/62/439631562.db2.gz JPEVMPILDFTZIH-WBVHZDCISA-N 1 2 348.399 0.756 20 30 ECEDLO C[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(F)cc2C#N)[C@@H](C)CO1 ZINC000595126886 439658585 /nfs/dbraw/zinc/65/85/85/439658585.db2.gz XAVSLOMKUCOGSE-RYUDHWBXSA-N 1 2 348.378 0.861 20 30 ECEDLO C[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(F)cc2C#N)[C@@H](C)CO1 ZINC000595126886 439658589 /nfs/dbraw/zinc/65/85/89/439658589.db2.gz XAVSLOMKUCOGSE-RYUDHWBXSA-N 1 2 348.378 0.861 20 30 ECEDLO C=CCCSCCNC(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000595146617 439660688 /nfs/dbraw/zinc/66/06/88/439660688.db2.gz BMBVTCVULCFWKY-UHFFFAOYSA-N 1 2 329.466 0.203 20 30 ECEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595151768 439661856 /nfs/dbraw/zinc/66/18/56/439661856.db2.gz JPPMEYAKKPDLLH-HNNXBMFYSA-N 1 2 342.399 0.738 20 30 ECEDLO N#Cc1ccsc1NC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595152964 439663854 /nfs/dbraw/zinc/66/38/54/439663854.db2.gz NKRZWDXYCGSXGS-GFCCVEGCSA-N 1 2 334.401 0.491 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCc3[nH]c[nH+]c3C2)c1 ZINC000600826176 439706937 /nfs/dbraw/zinc/70/69/37/439706937.db2.gz QMHZROHVLOFEMG-UHFFFAOYSA-N 1 2 345.384 0.145 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCc3[nH+]c[nH]c3C2)c1 ZINC000600826176 439706942 /nfs/dbraw/zinc/70/69/42/439706942.db2.gz QMHZROHVLOFEMG-UHFFFAOYSA-N 1 2 345.384 0.145 20 30 ECEDLO C[C@@H]1CN(CC[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)C[C@@H](C)O1 ZINC000595338462 439707196 /nfs/dbraw/zinc/70/71/96/439707196.db2.gz ILPDXHJCGHBTEG-BZUAXINKSA-N 1 2 344.463 0.968 20 30 ECEDLO C[C@@H]1CN(CC[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)C[C@@H](C)O1 ZINC000595338462 439707197 /nfs/dbraw/zinc/70/71/97/439707197.db2.gz ILPDXHJCGHBTEG-BZUAXINKSA-N 1 2 344.463 0.968 20 30 ECEDLO N#Cc1ccnc(N2CCN(C(=O)C3([NH+]4CCOCC4)CC3)CC2)c1 ZINC000600984279 439719891 /nfs/dbraw/zinc/71/98/91/439719891.db2.gz SLUWZQJLAQMFPS-UHFFFAOYSA-N 1 2 341.415 0.467 20 30 ECEDLO N#Cc1ncn(CC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)n1 ZINC000600677818 439687734 /nfs/dbraw/zinc/68/77/34/439687734.db2.gz BMHPWDVGEZAQCE-UHFFFAOYSA-N 1 2 349.398 0.975 20 30 ECEDLO COCc1cncc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000613229274 439753313 /nfs/dbraw/zinc/75/33/13/439753313.db2.gz YFKYHZGXCDCJTK-UHFFFAOYSA-N 1 2 332.404 0.916 20 30 ECEDLO C=CCNS(=O)(=O)c1ccccc1NC[C@H]1COCC[N@H+]1C ZINC000641678389 439898810 /nfs/dbraw/zinc/89/88/10/439898810.db2.gz OMYAIQRJSMGJCL-ZDUSSCGKSA-N 1 2 325.434 0.893 20 30 ECEDLO C=CCNS(=O)(=O)c1ccccc1NC[C@H]1COCC[N@@H+]1C ZINC000641678389 439898814 /nfs/dbraw/zinc/89/88/14/439898814.db2.gz OMYAIQRJSMGJCL-ZDUSSCGKSA-N 1 2 325.434 0.893 20 30 ECEDLO C=CC(C)(C)CCNC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000636673533 439988914 /nfs/dbraw/zinc/98/89/14/439988914.db2.gz UUPWGKVVCIAXCX-KGLIPLIRSA-N 1 2 325.453 0.930 20 30 ECEDLO C=CCOCCCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000637276222 440225641 /nfs/dbraw/zinc/22/56/41/440225641.db2.gz XXEOQGIQBRPUCY-QGZVFWFLSA-N 1 2 341.452 0.494 20 30 ECEDLO C=CCOCCCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000637276222 440225645 /nfs/dbraw/zinc/22/56/45/440225645.db2.gz XXEOQGIQBRPUCY-QGZVFWFLSA-N 1 2 341.452 0.494 20 30 ECEDLO C=C(C)[C@H](CO)[NH+]1CCN(c2ccccc2S(=O)(=O)NC)CC1 ZINC000649282596 440433373 /nfs/dbraw/zinc/43/33/73/440433373.db2.gz OBRZIWMSDGVNCT-HNNXBMFYSA-N 1 2 339.461 0.654 20 30 ECEDLO C=CCCO[C@H](C)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000628577598 440510916 /nfs/dbraw/zinc/51/09/16/440510916.db2.gz UGGINKFIVKSOJM-RHSMWYFYSA-N 1 2 326.437 0.700 20 30 ECEDLO C=CCCO[C@H](C)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000628577598 440510922 /nfs/dbraw/zinc/51/09/22/440510922.db2.gz UGGINKFIVKSOJM-RHSMWYFYSA-N 1 2 326.437 0.700 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(S(N)(=O)=O)cc2F)C1=O ZINC000639132070 440679313 /nfs/dbraw/zinc/67/93/13/440679313.db2.gz DIYUNNLLAQRTCT-CQSZACIVSA-N 1 2 341.408 0.692 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(S(N)(=O)=O)cc2F)C1=O ZINC000639132070 440679318 /nfs/dbraw/zinc/67/93/18/440679318.db2.gz DIYUNNLLAQRTCT-CQSZACIVSA-N 1 2 341.408 0.692 20 30 ECEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H]2CNC(=O)c2cnn(C)c2)nn1 ZINC000639972531 440845713 /nfs/dbraw/zinc/84/57/13/440845713.db2.gz UVLSHMJNZTYTJM-MRXNPFEDSA-N 1 2 343.435 0.982 20 30 ECEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2cnn(C)c2)nn1 ZINC000639972531 440845716 /nfs/dbraw/zinc/84/57/16/440845716.db2.gz UVLSHMJNZTYTJM-MRXNPFEDSA-N 1 2 343.435 0.982 20 30 ECEDLO C=CCCn1cc(C[NH2+][C@H]2CCN(c3cc(C)nn3C)C2=O)nn1 ZINC000657379104 441003707 /nfs/dbraw/zinc/00/37/07/441003707.db2.gz QXYOIYGCVDXVRQ-AWEZNQCLSA-N 1 2 329.408 0.791 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)NCCOc2ccc(F)cc2)nn1 ZINC000640975197 441037555 /nfs/dbraw/zinc/03/75/55/441037555.db2.gz WVDWYJAHWIXIDQ-UHFFFAOYSA-N 1 2 345.378 0.725 20 30 ECEDLO C=CC[C@]1(C(=O)Nc2nnc(NS(C)(=O)=O)s2)CCC[NH2+]1 ZINC000662513227 441061994 /nfs/dbraw/zinc/06/19/94/441061994.db2.gz RBMLXGMICIGMIP-LLVKDONJSA-N 1 2 331.423 0.546 20 30 ECEDLO Cc1ncc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)cc1C#N ZINC000570057833 322674780 /nfs/dbraw/zinc/67/47/80/322674780.db2.gz IAWWNLYINUNFHW-MRXNPFEDSA-N 1 2 343.412 0.992 20 30 ECEDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccnc(C#N)c1)C2 ZINC000575065068 322790367 /nfs/dbraw/zinc/79/03/67/322790367.db2.gz ZLVGIBSSMTZDOY-CYBMUJFWSA-N 1 2 325.372 0.738 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(NC(=O)NC)c2)C1 ZINC001078002645 782113263 /nfs/dbraw/zinc/11/32/63/782113263.db2.gz LYDPKJZTTLHVGG-HUUCEWRRSA-N 1 2 330.388 0.236 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(NC(=O)NC)c2)C1 ZINC001078002645 782113270 /nfs/dbraw/zinc/11/32/70/782113270.db2.gz LYDPKJZTTLHVGG-HUUCEWRRSA-N 1 2 330.388 0.236 20 30 ECEDLO N#Cc1ccc(CN2CC[NH+](CC(N)=O)CC2)c(Br)c1 ZINC000180923926 534779933 /nfs/dbraw/zinc/77/99/33/534779933.db2.gz HOWXPNAKQTUJON-UHFFFAOYSA-N 1 2 337.221 0.924 20 30 ECEDLO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC(C#N)CC1 ZINC000057907389 545674171 /nfs/dbraw/zinc/67/41/71/545674171.db2.gz IYKGVAQYPYIUDJ-LLVKDONJSA-N 1 2 336.417 0.897 20 30 ECEDLO C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CSCN2C(=O)C2CCC2)C1 ZINC000329137758 546015554 /nfs/dbraw/zinc/01/55/54/546015554.db2.gz DLHHPQVEAOUFBA-CHWSQXEVSA-N 1 2 327.450 0.975 20 30 ECEDLO C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CSCN2C(=O)C2CCC2)C1 ZINC000329137758 546015557 /nfs/dbraw/zinc/01/55/57/546015557.db2.gz DLHHPQVEAOUFBA-CHWSQXEVSA-N 1 2 327.450 0.975 20 30 ECEDLO C[C@H](NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C(=O)N1CCS(=O)(=O)CC1 ZINC000329648879 546031159 /nfs/dbraw/zinc/03/11/59/546031159.db2.gz JKLKFOBREKRKPI-XQQFMLRXSA-N 1 2 345.465 0.461 20 30 ECEDLO C[C@H](NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C(=O)N1CCS(=O)(=O)CC1 ZINC000329648879 546031161 /nfs/dbraw/zinc/03/11/61/546031161.db2.gz JKLKFOBREKRKPI-XQQFMLRXSA-N 1 2 345.465 0.461 20 30 ECEDLO CC(C)CN1CCN(C(=O)NC[C@H](C)[NH+]2CCOCC2)[C@H](C)C1=O ZINC000330175986 546040425 /nfs/dbraw/zinc/04/04/25/546040425.db2.gz JNSVNFGLOXBREA-LSDHHAIUSA-N 1 2 340.468 0.810 20 30 ECEDLO C=CCOc1cccnc1C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000338217978 546069551 /nfs/dbraw/zinc/06/95/51/546069551.db2.gz JFVBORARXNJHIN-UHFFFAOYSA-N 1 2 335.404 0.413 20 30 ECEDLO N#CCc1cccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000619495690 546335024 /nfs/dbraw/zinc/33/50/24/546335024.db2.gz PPLFAYPDPPLYEY-DLBZAZTESA-N 1 2 349.456 0.972 20 30 ECEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCOC[C@]23CCOC3)cc1 ZINC000619655610 546355133 /nfs/dbraw/zinc/35/51/33/546355133.db2.gz PWOLBBKQYPSIRR-SJLPKXTDSA-N 1 2 332.400 0.984 20 30 ECEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCOC[C@]23CCOC3)cc1 ZINC000619655610 546355137 /nfs/dbraw/zinc/35/51/37/546355137.db2.gz PWOLBBKQYPSIRR-SJLPKXTDSA-N 1 2 332.400 0.984 20 30 ECEDLO C=C[C@@H](O)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000668100833 547588554 /nfs/dbraw/zinc/58/85/54/547588554.db2.gz ZUBCPLODGAEFCR-OAHLLOKOSA-N 1 2 333.388 0.234 20 30 ECEDLO C=CCOCCCNC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000668543822 547681695 /nfs/dbraw/zinc/68/16/95/547681695.db2.gz XXLVSIMLUKCEBP-UHFFFAOYSA-N 1 2 346.431 0.876 20 30 ECEDLO C=CCCOCCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673594682 548518884 /nfs/dbraw/zinc/51/88/84/548518884.db2.gz SAJQEGNYFFMCQW-HNNXBMFYSA-N 1 2 339.436 0.019 20 30 ECEDLO CC(=O)N1CCN(C(=O)[C@@H](C)O[NH+]=C(N)c2ccc(F)cc2)CC1 ZINC000749787427 579343017 /nfs/dbraw/zinc/34/30/17/579343017.db2.gz MZIPBAJTLFGSCX-LLVKDONJSA-N 1 2 336.367 0.542 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(C)Cc2nc3ccccc3n2C)CC1 ZINC000751483958 579369782 /nfs/dbraw/zinc/36/97/82/579369782.db2.gz WRYGBBSQLKRXCN-UHFFFAOYSA-N 1 2 339.443 0.783 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000755957011 579442631 /nfs/dbraw/zinc/44/26/31/579442631.db2.gz UNGNMVOLFOWYOP-QRQCRPRQSA-N 1 2 329.510 0.796 20 30 ECEDLO CN(CCO)c1ccc(C=[NH+]Nc2nc3[nH][nH]cc-3c(=O)n2)cc1 ZINC000731157025 578310945 /nfs/dbraw/zinc/31/09/45/578310945.db2.gz BDRIRLBARYXIPG-UHFFFAOYSA-N 1 2 327.348 0.307 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCc2ccccn2)CC1 ZINC000733148977 578332815 /nfs/dbraw/zinc/33/28/15/578332815.db2.gz RXXZFMNHRDMMLB-UHFFFAOYSA-N 1 2 342.443 0.688 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCCc2ccccn2)CC1 ZINC000733148977 578332817 /nfs/dbraw/zinc/33/28/17/578332817.db2.gz RXXZFMNHRDMMLB-UHFFFAOYSA-N 1 2 342.443 0.688 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000733162794 578333147 /nfs/dbraw/zinc/33/31/47/578333147.db2.gz URDQOEAJRXRYBS-UHFFFAOYSA-N 1 2 327.344 0.722 20 30 ECEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)c1cncc(F)c1 ZINC000737418536 578496056 /nfs/dbraw/zinc/49/60/56/578496056.db2.gz URFLHSPLVDMSMA-UHFFFAOYSA-N 1 2 325.413 0.741 20 30 ECEDLO Cc1nc(C#N)c(N2CCC(C(=O)OCC[NH+]3CCOCC3)CC2)o1 ZINC000796279035 578624030 /nfs/dbraw/zinc/62/40/30/578624030.db2.gz MXBONLHURFKQSY-UHFFFAOYSA-N 1 2 348.403 0.947 20 30 ECEDLO C=C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)C(=O)OC ZINC000799977988 578672526 /nfs/dbraw/zinc/67/25/26/578672526.db2.gz SQVZKPVVSRJDJJ-JTQLQIEISA-N 1 2 344.355 0.865 20 30 ECEDLO N#CCNC(=O)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785679711 578773098 /nfs/dbraw/zinc/77/30/98/578773098.db2.gz XPWFNVSGXACCSF-UHFFFAOYSA-N 1 2 329.272 0.577 20 30 ECEDLO C#C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[C@H]1CCCO1 ZINC000773562381 579230209 /nfs/dbraw/zinc/23/02/09/579230209.db2.gz VZOANTWTQGOOKH-HZPDHXFCSA-N 1 2 344.415 0.898 20 30 ECEDLO C#C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H]1CCCO1 ZINC000773562371 579230269 /nfs/dbraw/zinc/23/02/69/579230269.db2.gz VZOANTWTQGOOKH-CVEARBPZSA-N 1 2 344.415 0.898 20 30 ECEDLO C#C[C@@H](NC(=O)N1CCN(Cc2[nH+]ccn2C)CC1)[C@@H]1CCCO1 ZINC000776227739 579278115 /nfs/dbraw/zinc/27/81/15/579278115.db2.gz LODPXJLQVZNRFZ-CABCVRRESA-N 1 2 331.420 0.428 20 30 ECEDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)COc1ccc(C#N)cc1 ZINC000779564055 579317960 /nfs/dbraw/zinc/31/79/60/579317960.db2.gz QLZZWEBXXWOVML-AWEZNQCLSA-N 1 2 328.328 0.492 20 30 ECEDLO C#CCNC(=O)[C@@H](C)OC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741354211 579772543 /nfs/dbraw/zinc/77/25/43/579772543.db2.gz MPHUISCUKYGVOD-WBVHZDCISA-N 1 2 344.411 0.959 20 30 ECEDLO C#CCNC(=O)[C@@H](C)OC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741354211 579772544 /nfs/dbraw/zinc/77/25/44/579772544.db2.gz MPHUISCUKYGVOD-WBVHZDCISA-N 1 2 344.411 0.959 20 30 ECEDLO Cn1cc[nH+]c1CN=Nc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000745201342 579820143 /nfs/dbraw/zinc/82/01/43/579820143.db2.gz UCQAGEXNDMZDGP-UHFFFAOYSA-N 1 2 349.416 0.887 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000747533796 579852905 /nfs/dbraw/zinc/85/29/05/579852905.db2.gz RSKNXKIMPBBTCE-UHFFFAOYSA-N 1 2 331.416 0.571 20 30 ECEDLO C=CCNC(=O)NC(=O)CN1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000748048749 579856348 /nfs/dbraw/zinc/85/63/48/579856348.db2.gz SUTSEXXFJVZKRI-LLVKDONJSA-N 1 2 325.438 0.107 20 30 ECEDLO Cc1[nH]c(C#N)cc1C(=O)O[C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000835396302 588909383 /nfs/dbraw/zinc/90/93/83/588909383.db2.gz QKTGCWBJCXEQKF-LBPRGKRZSA-N 1 2 334.376 0.189 20 30 ECEDLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1cccc(F)c1C#N ZINC000841573428 588995956 /nfs/dbraw/zinc/99/59/56/588995956.db2.gz MRVHPDJITMNTOQ-RYUDHWBXSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1cccc(F)c1C#N ZINC000841573428 588995957 /nfs/dbraw/zinc/99/59/57/588995957.db2.gz MRVHPDJITMNTOQ-RYUDHWBXSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC1 ZINC000866842519 586049599 /nfs/dbraw/zinc/04/95/99/586049599.db2.gz XEEDDFCOJFWVQH-LLVKDONJSA-N 1 2 327.381 0.384 20 30 ECEDLO C#CCNS(=O)(=O)N1CCN(c2cc(CC)[nH+]c(CC)n2)CC1 ZINC000895058154 586158693 /nfs/dbraw/zinc/15/86/93/586158693.db2.gz IHEOYNQQGUVXEX-UHFFFAOYSA-N 1 2 337.449 0.191 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2nnc(C(C)(C)C)s2)C1 ZINC000891607725 586181074 /nfs/dbraw/zinc/18/10/74/586181074.db2.gz QSGVLSLTPXDDPF-NSHDSACASA-N 1 2 349.460 0.988 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2nnc(C(C)(C)C)s2)C1 ZINC000891607725 586181075 /nfs/dbraw/zinc/18/10/75/586181075.db2.gz QSGVLSLTPXDDPF-NSHDSACASA-N 1 2 349.460 0.988 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccnc2OCC)C1 ZINC000891608686 586181514 /nfs/dbraw/zinc/18/15/14/586181514.db2.gz XGBXENMESLUQRV-ZDUSSCGKSA-N 1 2 330.388 0.633 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccnc2OCC)C1 ZINC000891608686 586181516 /nfs/dbraw/zinc/18/15/16/586181516.db2.gz XGBXENMESLUQRV-ZDUSSCGKSA-N 1 2 330.388 0.633 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(SC)nc2)C1 ZINC000891605346 586181927 /nfs/dbraw/zinc/18/19/27/586181927.db2.gz CUJSWJLXLWRLRJ-ZDUSSCGKSA-N 1 2 332.429 0.956 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(SC)nc2)C1 ZINC000891605346 586181930 /nfs/dbraw/zinc/18/19/30/586181930.db2.gz CUJSWJLXLWRLRJ-ZDUSSCGKSA-N 1 2 332.429 0.956 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cccc(OCC)c2)CC1 ZINC000895914874 586211968 /nfs/dbraw/zinc/21/19/68/586211968.db2.gz QYTPKTYICMQYMW-UHFFFAOYSA-N 1 2 337.445 0.671 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896577334 586259804 /nfs/dbraw/zinc/25/98/04/586259804.db2.gz NMAJKIDJZADVQA-DZGCQCFKSA-N 1 2 346.431 0.696 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000896577334 586259807 /nfs/dbraw/zinc/25/98/07/586259807.db2.gz NMAJKIDJZADVQA-DZGCQCFKSA-N 1 2 346.431 0.696 20 30 ECEDLO C=CCOC[C@@H]([NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1)C(=O)OC ZINC000894194137 586378810 /nfs/dbraw/zinc/37/88/10/586378810.db2.gz KCGQVQPCROKVBX-TZMCWYRMSA-N 1 2 348.465 0.380 20 30 ECEDLO C#CCNC(=O)C1CCN(C(=O)/C=C(/C)C[NH+]2CCOCC2)CC1 ZINC000900441242 586631895 /nfs/dbraw/zinc/63/18/95/586631895.db2.gz LCRFALPEZXSPJY-SQFISAMPSA-N 1 2 333.432 0.253 20 30 ECEDLO C=C1[C@H](C(=O)N(C)Cc2ncc[nH]2)[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000900630471 586649929 /nfs/dbraw/zinc/64/99/29/586649929.db2.gz WOHHPEBFVFCGLI-KBPBESRZSA-N 1 2 328.376 0.552 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CCCCn2cnc3c2ncnc3N)CC1 ZINC000900689128 586656538 /nfs/dbraw/zinc/65/65/38/586656538.db2.gz HCRXDMSOQNWSBV-UHFFFAOYSA-N 1 2 341.419 0.356 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)/C=C\C(=O)NCc2ccc(OC)cc2)CC1 ZINC000900690301 586656608 /nfs/dbraw/zinc/65/66/08/586656608.db2.gz PRQIBKRNMGPLMC-HJWRWDBZSA-N 1 2 341.411 0.645 20 30 ECEDLO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NS(=O)(=O)c1ccsc1)C2 ZINC000901031738 586684414 /nfs/dbraw/zinc/68/44/14/586684414.db2.gz SNOVCKMJJKRPNT-RUETXSTFSA-N 1 2 325.415 0.692 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=C1CC[C@H]2COCC[C@H]2C1 ZINC000901130778 586696872 /nfs/dbraw/zinc/69/68/72/586696872.db2.gz VVPWFBVRZCZESD-KBPBESRZSA-N 1 2 340.493 0.975 20 30 ECEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(C[C@@H]2C[C@H]3COC[C@H]3O2)c1=O ZINC000901558120 586711405 /nfs/dbraw/zinc/71/14/05/586711405.db2.gz UXYANDDOQDVFIV-YESZJQIVSA-N 1 2 345.399 0.356 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2[C@@H]2CCC(=O)N2)CC1 ZINC000902114987 586720794 /nfs/dbraw/zinc/72/07/94/586720794.db2.gz ZYSAUVJQIAFMML-KRWDZBQOSA-N 1 2 340.427 0.827 20 30 ECEDLO C#C[C@H](NC(=O)c1cccn1CC[NH+]1CCOCC1)[C@H]1CCCO1 ZINC000907489339 586723263 /nfs/dbraw/zinc/72/32/63/586723263.db2.gz YAYDWQBKTJAAAH-DOTOQJQBSA-N 1 2 331.416 0.731 20 30 ECEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CCO[C@@](C)(C#N)C2)C1 ZINC000907498316 586724953 /nfs/dbraw/zinc/72/49/53/586724953.db2.gz OLEFKDJOFJWXOC-INIZCTEOSA-N 1 2 335.429 0.978 20 30 ECEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CCO[C@@](C)(C#N)C2)C1 ZINC000907498316 586724954 /nfs/dbraw/zinc/72/49/54/586724954.db2.gz OLEFKDJOFJWXOC-INIZCTEOSA-N 1 2 335.429 0.978 20 30 ECEDLO N#Cc1c2c(cn(C[NH+]3CCC([C@H]4COC(=O)N4)CC3)c1=O)CCC2 ZINC000902514957 586741315 /nfs/dbraw/zinc/74/13/15/586741315.db2.gz SAQAZGPFRWIOFB-MRXNPFEDSA-N 1 2 342.399 0.987 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(N3CCC3=O)cc2)CC1 ZINC000902583239 586745762 /nfs/dbraw/zinc/74/57/62/586745762.db2.gz YSYDXSIYULQLFI-UHFFFAOYSA-N 1 2 327.384 0.580 20 30 ECEDLO CC(C)N(CC[NH+](C)C)C(=O)NCCNC(O)=C1N=CC=CC1=O ZINC000749194376 586866928 /nfs/dbraw/zinc/86/69/28/586866928.db2.gz SUAPELLPUHJQKA-CCEZHUSRSA-N 1 2 337.424 0.494 20 30 ECEDLO Cc1cc(C(N)=[NH+]OCC(=O)N=[S@](C)(=O)N(C)C)ccc1F ZINC000905090326 586868092 /nfs/dbraw/zinc/86/80/92/586868092.db2.gz VHDJPHXUNLRVSF-QFIPXVFZSA-N 1 2 330.385 0.872 20 30 ECEDLO C=CC[C@H]([NH2+]CCc1ccc(S(=O)(=O)NC)cc1)C(=O)OC ZINC000905777323 586913625 /nfs/dbraw/zinc/91/36/25/586913625.db2.gz KAIJBCOSTKOGME-AWEZNQCLSA-N 1 2 326.418 0.845 20 30 ECEDLO COCCCNC(=O)[C@@H](C)N1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000801918815 587006057 /nfs/dbraw/zinc/00/60/57/587006057.db2.gz ZPKZLCGZIBHRSL-HUUCEWRRSA-N 1 2 326.441 0.074 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(CCO[C@H](C)C#N)CC1 ZINC000801918815 587006059 /nfs/dbraw/zinc/00/60/59/587006059.db2.gz ZPKZLCGZIBHRSL-HUUCEWRRSA-N 1 2 326.441 0.074 20 30 ECEDLO C=CCOC[C@H]1NC(=O)N(Cc2ccnc(-n3cc[nH+]c3)c2)C1=O ZINC000804150056 587080334 /nfs/dbraw/zinc/08/03/34/587080334.db2.gz CVZAHIMYBLWCHW-CYBMUJFWSA-N 1 2 327.344 0.890 20 30 ECEDLO N#Cc1ccc(NCCN2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)nc1 ZINC000804183994 587080875 /nfs/dbraw/zinc/08/08/75/587080875.db2.gz ITGKZPHYHADYKL-LBPRGKRZSA-N 1 2 325.332 0.251 20 30 ECEDLO N#Cc1ccc(NCCN2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)nc1 ZINC000804183994 587080877 /nfs/dbraw/zinc/08/08/77/587080877.db2.gz ITGKZPHYHADYKL-LBPRGKRZSA-N 1 2 325.332 0.251 20 30 ECEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000804436366 587084963 /nfs/dbraw/zinc/08/49/63/587084963.db2.gz PCRISWZGBAUCEO-KBRIMQKVSA-N 1 2 329.400 0.913 20 30 ECEDLO C=CCN1CCN(C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)C1=O ZINC000840079398 587111445 /nfs/dbraw/zinc/11/14/45/587111445.db2.gz MSOQZBPRAJCKPF-AWEZNQCLSA-N 1 2 344.481 0.471 20 30 ECEDLO C=CCN1CCN(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)C1=O ZINC000840079398 587111446 /nfs/dbraw/zinc/11/14/46/587111446.db2.gz MSOQZBPRAJCKPF-AWEZNQCLSA-N 1 2 344.481 0.471 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)[C@H]1CCCO1 ZINC000809310086 587174561 /nfs/dbraw/zinc/17/45/61/587174561.db2.gz ASEJAQGPIUYOEN-SOUVJXGZSA-N 1 2 330.388 0.344 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCO1 ZINC000809312520 587175009 /nfs/dbraw/zinc/17/50/09/587175009.db2.gz NQVOSPQCGHKVAM-HUUCEWRRSA-N 1 2 342.399 0.027 20 30 ECEDLO COC(=O)CC[C@]1(C)NC(=O)N(C[NH+]2CCC(C)(C#N)CC2)C1=O ZINC000811761684 587225370 /nfs/dbraw/zinc/22/53/70/587225370.db2.gz NGDZFADVIJJDQJ-INIZCTEOSA-N 1 2 336.392 0.833 20 30 ECEDLO CC(C)NS(=O)(=O)c1ccc(N[NH+]=Cc2cnn(C)c2N)nc1 ZINC000814802740 587279189 /nfs/dbraw/zinc/27/91/89/587279189.db2.gz UBVMPEPDMNPJQM-UHFFFAOYSA-N 1 2 337.409 0.530 20 30 ECEDLO COc1cc(C=NNC(=S)NCC[NH+]2CCOCC2)sn1 ZINC000817322127 587338617 /nfs/dbraw/zinc/33/86/17/587338617.db2.gz KACZIDIUDAVIBV-UHFFFAOYSA-N 1 2 329.451 0.282 20 30 ECEDLO CCOC(=O)CON=C(C(=O)N[C@H](C)c1[nH]cc[nH+]1)c1cc[nH]n1 ZINC000818027138 587397782 /nfs/dbraw/zinc/39/77/82/587397782.db2.gz JDVACCDWUVRREC-SECBINFHSA-N 1 2 334.336 0.294 20 30 ECEDLO C#C[C@H](NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000820489534 587537876 /nfs/dbraw/zinc/53/78/76/587537876.db2.gz GZYULXDOFKJJQZ-SJORKVTESA-N 1 2 349.406 0.835 20 30 ECEDLO CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000820620990 587545163 /nfs/dbraw/zinc/54/51/63/587545163.db2.gz ZTMVRZRAPQLLCJ-WMLDXEAASA-N 1 2 336.436 0.618 20 30 ECEDLO CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000820620990 587545165 /nfs/dbraw/zinc/54/51/65/587545165.db2.gz ZTMVRZRAPQLLCJ-WMLDXEAASA-N 1 2 336.436 0.618 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2[C@H](C)NC(=O)[O-])CC1 ZINC000823457393 587721829 /nfs/dbraw/zinc/72/18/29/587721829.db2.gz YTGNCCGAFAFPCF-LSDHHAIUSA-N 1 2 336.436 0.274 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@H](C)NC(=O)[O-])CC1 ZINC000823457393 587721831 /nfs/dbraw/zinc/72/18/31/587721831.db2.gz YTGNCCGAFAFPCF-LSDHHAIUSA-N 1 2 336.436 0.274 20 30 ECEDLO Cn1c(CCn2c(N)nc(C#N)c2-c2nn[nH]n2)[nH+]c2ccccc21 ZINC000826355332 588032736 /nfs/dbraw/zinc/03/27/36/588032736.db2.gz UVMJNZOZHPKYSK-UHFFFAOYSA-N 1 2 334.347 0.646 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](OC)C2CCCC2)CC1 ZINC000826549590 588069230 /nfs/dbraw/zinc/06/92/30/588069230.db2.gz JTZAWUVBVLZCJJ-KRWDZBQOSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](OC)C2CCCC2)CC1 ZINC000826549590 588069232 /nfs/dbraw/zinc/06/92/32/588069232.db2.gz JTZAWUVBVLZCJJ-KRWDZBQOSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CCN(CC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)C(=O)OC(C)(C)C ZINC000827237957 588107129 /nfs/dbraw/zinc/10/71/29/588107129.db2.gz ZHVLHEANOPYKKB-AWEZNQCLSA-N 1 2 338.452 0.219 20 30 ECEDLO C#CCN(CC(=O)NC[C@H]1CN(C)CC[N@H+]1C)C(=O)OC(C)(C)C ZINC000827237957 588107131 /nfs/dbraw/zinc/10/71/31/588107131.db2.gz ZHVLHEANOPYKKB-AWEZNQCLSA-N 1 2 338.452 0.219 20 30 ECEDLO N#CC1(C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)CCSCC1 ZINC000827917374 588146909 /nfs/dbraw/zinc/14/69/09/588146909.db2.gz ORZDBLHTGKKUMM-CQSZACIVSA-N 1 2 339.461 0.583 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000828529262 588187710 /nfs/dbraw/zinc/18/77/10/588187710.db2.gz JMLIVOBAEMKCFE-LLVKDONJSA-N 1 2 340.276 0.656 20 30 ECEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@H]2C[C@@H](C(N)=O)C2)CC1=O ZINC000844270567 589105815 /nfs/dbraw/zinc/10/58/15/589105815.db2.gz UYGLQCBCHOISCY-PHIMTYICSA-N 1 2 339.399 0.910 20 30 ECEDLO N#CCC1(COC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000849767951 589349046 /nfs/dbraw/zinc/34/90/46/589349046.db2.gz AYNWNNBNSSDKQF-HNNXBMFYSA-N 1 2 349.431 0.937 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000851873983 589430502 /nfs/dbraw/zinc/43/05/02/589430502.db2.gz WLLIOLRFJFIVDQ-UHFFFAOYSA-N 1 2 333.417 0.148 20 30 ECEDLO Cn1cc(C[C@@H]2CC(=O)N(C[N@@H+]3CCC[C@H](CC#N)C3)C2=O)cn1 ZINC000853523789 589545920 /nfs/dbraw/zinc/54/59/20/589545920.db2.gz GYSCUFBCYKNXRU-UKRRQHHQSA-N 1 2 329.404 0.921 20 30 ECEDLO Cn1cc(C[C@@H]2CC(=O)N(C[N@H+]3CCC[C@H](CC#N)C3)C2=O)cn1 ZINC000853523789 589545922 /nfs/dbraw/zinc/54/59/22/589545922.db2.gz GYSCUFBCYKNXRU-UKRRQHHQSA-N 1 2 329.404 0.921 20 30 ECEDLO Cc1cc(N2CCS(=O)(=NS(C)(=O)=O)CC2)c(C#N)c[nH+]1 ZINC000853643978 589553467 /nfs/dbraw/zinc/55/34/67/589553467.db2.gz YBKXWBJKDUOFHA-UHFFFAOYSA-N 1 2 328.419 0.509 20 30 ECEDLO C#C[C@H](NC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO)[C@H]1CCCO1 ZINC000854002668 589567947 /nfs/dbraw/zinc/56/79/47/589567947.db2.gz CFVYTEQCHOPEMK-MJBXVCDLSA-N 1 2 334.420 0.960 20 30 ECEDLO C=C[C@H](O)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000854443246 589586503 /nfs/dbraw/zinc/58/65/03/589586503.db2.gz SBFDPWDFAYFCJN-KBPBESRZSA-N 1 2 339.436 0.687 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000854568266 589593513 /nfs/dbraw/zinc/59/35/13/589593513.db2.gz KOZUKJMHPUSKRX-CABCVRRESA-N 1 2 326.462 0.691 20 30 ECEDLO C[C@H](ON=C(N)c1cccc(C[NH+]2CCOCC2)c1)C(=O)NC1CC1 ZINC000113249862 589626967 /nfs/dbraw/zinc/62/69/67/589626967.db2.gz GSWGUVPODLQOBQ-ZDUSSCGKSA-N 1 2 346.431 0.823 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856538223 589667056 /nfs/dbraw/zinc/66/70/56/589667056.db2.gz QJOKBSVOEAGFIH-VNQPRFMTSA-N 1 2 343.431 0.597 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856538223 589667057 /nfs/dbraw/zinc/66/70/57/589667057.db2.gz QJOKBSVOEAGFIH-VNQPRFMTSA-N 1 2 343.431 0.597 20 30 ECEDLO N#Cc1ccncc1C(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000856613945 589668600 /nfs/dbraw/zinc/66/86/00/589668600.db2.gz KSWQGQLWKWXKCM-LSDHHAIUSA-N 1 2 335.367 0.944 20 30 ECEDLO C#CC[C@H](COC)NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000860716492 589795817 /nfs/dbraw/zinc/79/58/17/589795817.db2.gz RNHLKLUXPGLLPB-CQSZACIVSA-N 1 2 335.408 0.375 20 30 ECEDLO COC(=O)[C@@]1(F)CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000859151308 589803160 /nfs/dbraw/zinc/80/31/60/589803160.db2.gz ABDWIEAQJKFNDV-GOSISDBHSA-N 1 2 344.342 0.873 20 30 ECEDLO COC(=O)[C@@]1(F)CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000859151308 589803162 /nfs/dbraw/zinc/80/31/62/589803162.db2.gz ABDWIEAQJKFNDV-GOSISDBHSA-N 1 2 344.342 0.873 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2ccc(OCc3nc(C)no3)nc2)CC1 ZINC000859357719 589825886 /nfs/dbraw/zinc/82/58/86/589825886.db2.gz WUXCZRLRNWEHQM-UHFFFAOYSA-N 1 2 341.371 0.743 20 30 ECEDLO C=C(Cl)CNC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C ZINC000859469457 589840733 /nfs/dbraw/zinc/84/07/33/589840733.db2.gz ROUSJELZZHWTJP-RYUDHWBXSA-N 1 2 326.784 0.577 20 30 ECEDLO CNC(=O)NC[C@@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CCO1 ZINC000859494280 589843856 /nfs/dbraw/zinc/84/38/56/589843856.db2.gz OHTNDCQQCDSDKJ-MRXNPFEDSA-N 1 2 332.404 0.957 20 30 ECEDLO CNC(=O)NC[C@@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CCO1 ZINC000859494280 589843859 /nfs/dbraw/zinc/84/38/59/589843859.db2.gz OHTNDCQQCDSDKJ-MRXNPFEDSA-N 1 2 332.404 0.957 20 30 ECEDLO N#Cc1ccc(NCC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000870069783 589997216 /nfs/dbraw/zinc/99/72/16/589997216.db2.gz MWWBHYWPPUGXLD-KRWDZBQOSA-N 1 2 344.415 0.530 20 30 ECEDLO COC(=O)CCN(CC#N)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000871341787 590060710 /nfs/dbraw/zinc/06/07/10/590060710.db2.gz ZHYUEZJSENAHHM-UHFFFAOYSA-N 1 2 347.419 0.547 20 30 ECEDLO FC(F)(F)C(F)(F)C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000872329119 590114587 /nfs/dbraw/zinc/11/45/87/590114587.db2.gz KEAHILUNZJWUFV-UHFFFAOYSA-N 1 2 334.314 0.966 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2cc(N3CCOCC3)ncn2)CC1 ZINC000865086294 590124101 /nfs/dbraw/zinc/12/41/01/590124101.db2.gz WYCKDYRLAUSXJT-UHFFFAOYSA-N 1 2 329.404 0.094 20 30 ECEDLO C=CCN1CCN(C[N@H+]2CCc3c(CC(N)=O)cccc3C2)C1=O ZINC000872659450 590138851 /nfs/dbraw/zinc/13/88/51/590138851.db2.gz AUIZVFOPBYIRQA-UHFFFAOYSA-N 1 2 328.416 0.954 20 30 ECEDLO C=CCN1CCN(C[N@@H+]2CCc3c(CC(N)=O)cccc3C2)C1=O ZINC000872659450 590138853 /nfs/dbraw/zinc/13/88/53/590138853.db2.gz AUIZVFOPBYIRQA-UHFFFAOYSA-N 1 2 328.416 0.954 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CC1 ZINC000865796699 590158203 /nfs/dbraw/zinc/15/82/03/590158203.db2.gz ZVDUSVLPKOQLOP-ZDUSSCGKSA-N 1 2 325.409 0.040 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000875109833 590272237 /nfs/dbraw/zinc/27/22/37/590272237.db2.gz VXJJLTSBFGRFGG-CQSZACIVSA-N 1 2 342.399 0.804 20 30 ECEDLO C[C@@H]1NC(=O)N(CC[NH+]2CCN(c3ccc(F)cc3C#N)CC2)C1=O ZINC000879590502 590326830 /nfs/dbraw/zinc/32/68/30/590326830.db2.gz FSQLPAUTMFSCKA-LBPRGKRZSA-N 1 2 345.378 0.760 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000879763731 590342271 /nfs/dbraw/zinc/34/22/71/590342271.db2.gz PTXIKGQNVMOYTK-ZWNOBZJWSA-N 1 2 334.342 0.890 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000879763731 590342274 /nfs/dbraw/zinc/34/22/74/590342274.db2.gz PTXIKGQNVMOYTK-ZWNOBZJWSA-N 1 2 334.342 0.890 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000875923522 590346509 /nfs/dbraw/zinc/34/65/09/590346509.db2.gz ILKDOHMVJYEHTK-HNNXBMFYSA-N 1 2 338.452 0.220 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879932162 590352057 /nfs/dbraw/zinc/35/20/57/590352057.db2.gz VJWUYCKGRCJDCU-SOUVJXGZSA-N 1 2 326.462 0.942 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879932162 590352059 /nfs/dbraw/zinc/35/20/59/590352059.db2.gz VJWUYCKGRCJDCU-SOUVJXGZSA-N 1 2 326.462 0.942 20 30 ECEDLO CN1CCC[C@@H]2[C@H]1CC[N@@H+]2CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000880143018 590372048 /nfs/dbraw/zinc/37/20/48/590372048.db2.gz XJXSKXHIXFAJDL-HUUCEWRRSA-N 1 2 334.445 0.895 20 30 ECEDLO CN1CCC[C@@H]2[C@H]1CC[N@H+]2CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000880143018 590372050 /nfs/dbraw/zinc/37/20/50/590372050.db2.gz XJXSKXHIXFAJDL-HUUCEWRRSA-N 1 2 334.445 0.895 20 30 ECEDLO CN(C)C(=O)CN1CC[NH+](Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000876546825 590386146 /nfs/dbraw/zinc/38/61/46/590386146.db2.gz XMLWHFCTIZCPBF-UHFFFAOYSA-N 1 2 329.448 0.830 20 30 ECEDLO CN(C)C(=O)C[NH+]1CCN(Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000876546825 590386148 /nfs/dbraw/zinc/38/61/48/590386148.db2.gz XMLWHFCTIZCPBF-UHFFFAOYSA-N 1 2 329.448 0.830 20 30 ECEDLO C#CCNC(=O)C1CC[NH+](Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000876633914 590393804 /nfs/dbraw/zinc/39/38/04/590393804.db2.gz HTSPANGBAWVLPA-UHFFFAOYSA-N 1 2 341.458 0.357 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]3CCNC(=O)[C@H]32)cc1 ZINC000880529119 590399983 /nfs/dbraw/zinc/39/99/83/590399983.db2.gz JHYOMXPEHYMMFJ-WBVHZDCISA-N 1 2 326.400 0.775 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]3CCNC(=O)[C@H]32)cc1 ZINC000880529119 590399986 /nfs/dbraw/zinc/39/99/86/590399986.db2.gz JHYOMXPEHYMMFJ-WBVHZDCISA-N 1 2 326.400 0.775 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3CCNC3=O)CC2)cc1 ZINC000877896096 590485050 /nfs/dbraw/zinc/48/50/50/590485050.db2.gz QRSADTXESFXXGK-INIZCTEOSA-N 1 2 326.400 0.729 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cc(C(F)(F)F)c(C)cc2=O)CC1 ZINC000882342440 590541704 /nfs/dbraw/zinc/54/17/04/590541704.db2.gz ACJWKZVEVCFXGM-UHFFFAOYSA-N 1 2 341.333 0.953 20 30 ECEDLO COC(=O)[C@@H]1C[N@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)CCO1 ZINC000131137215 590608111 /nfs/dbraw/zinc/60/81/11/590608111.db2.gz YRCLINCLKNFJGR-HNNXBMFYSA-N 1 2 341.371 0.957 20 30 ECEDLO COC(=O)[C@@H]1C[N@@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)CCO1 ZINC000131137215 590608113 /nfs/dbraw/zinc/60/81/13/590608113.db2.gz YRCLINCLKNFJGR-HNNXBMFYSA-N 1 2 341.371 0.957 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000885514261 590729796 /nfs/dbraw/zinc/72/97/96/590729796.db2.gz VLVFRXVVQVKWSK-LLVKDONJSA-N 1 2 335.385 0.909 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000885514261 590729801 /nfs/dbraw/zinc/72/98/01/590729801.db2.gz VLVFRXVVQVKWSK-LLVKDONJSA-N 1 2 335.385 0.909 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)C1 ZINC000885512884 590730034 /nfs/dbraw/zinc/73/00/34/590730034.db2.gz ZPOHDMANIPEMNV-OAHLLOKOSA-N 1 2 349.456 0.764 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)C1 ZINC000885512884 590730036 /nfs/dbraw/zinc/73/00/36/590730036.db2.gz ZPOHDMANIPEMNV-OAHLLOKOSA-N 1 2 349.456 0.764 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)OC)nc2)C1 ZINC000885512339 590730074 /nfs/dbraw/zinc/73/00/74/590730074.db2.gz VEWBSNSILPXDOT-GFCCVEGCSA-N 1 2 337.401 0.244 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)OC)nc2)C1 ZINC000885512339 590730076 /nfs/dbraw/zinc/73/00/76/590730076.db2.gz VEWBSNSILPXDOT-GFCCVEGCSA-N 1 2 337.401 0.244 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCO[C@H](Cc2ccccc2)C1 ZINC000884312928 590802435 /nfs/dbraw/zinc/80/24/35/590802435.db2.gz ROJRXLRQEBOFAY-CVEARBPZSA-N 1 2 332.400 0.903 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@](C(=O)OCC)(C(C)C)C1 ZINC000884334351 590808875 /nfs/dbraw/zinc/80/88/75/590808875.db2.gz NIBMHWYDWSTMTI-GUYCJALGSA-N 1 2 340.420 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/nfs/dbraw/zinc/60/32/28/611603228.db2.gz OONMNRQMYBAAPW-UHFFFAOYSA-N 1 2 340.387 0.894 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC(NC(=O)Cc3c[nH]c[nH+]3)CC2)cn1 ZINC000947632052 611626560 /nfs/dbraw/zinc/62/65/60/611626560.db2.gz XKFFFDMRQFFBHY-UHFFFAOYSA-N 1 2 337.383 0.750 20 30 ECEDLO COc1ncc(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1C#N ZINC000932516931 611636355 /nfs/dbraw/zinc/63/63/55/611636355.db2.gz OJJXHWXNWAKFEK-OKILXGFUSA-N 1 2 331.376 0.947 20 30 ECEDLO COc1ncc(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1C#N ZINC000932516931 611636356 /nfs/dbraw/zinc/63/63/56/611636356.db2.gz OJJXHWXNWAKFEK-OKILXGFUSA-N 1 2 331.376 0.947 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C[C@H]3CCC(=O)NC3)CC2)C1 ZINC000949382999 608660433 /nfs/dbraw/zinc/66/04/33/608660433.db2.gz PTSFJBWAHKIQPF-OAHLLOKOSA-N 1 2 333.432 0.229 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C[C@H]3CCC(=O)NC3)CC2)C1 ZINC000949382999 608660435 /nfs/dbraw/zinc/66/04/35/608660435.db2.gz PTSFJBWAHKIQPF-OAHLLOKOSA-N 1 2 333.432 0.229 20 30 ECEDLO 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327.384 0.763 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1F)[C@@H]1C[N@H+](C)CCN1C ZINC000919998980 609669806 /nfs/dbraw/zinc/66/98/06/609669806.db2.gz DHYHRUWVZRIWPQ-RISCZKNCSA-N 1 2 340.424 0.610 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1F)[C@@H]1C[N@@H+](C)CCN1C ZINC000919998980 609669808 /nfs/dbraw/zinc/66/98/08/609669808.db2.gz DHYHRUWVZRIWPQ-RISCZKNCSA-N 1 2 340.424 0.610 20 30 ECEDLO C[C@@H](C(=O)NCC#CC[NH+](C)C)S(=O)(=O)c1ccc(F)cc1 ZINC000913516816 609685134 /nfs/dbraw/zinc/68/51/34/609685134.db2.gz HRDDUOWJRVJTAH-LBPRGKRZSA-N 1 2 326.393 0.669 20 30 ECEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cnc(NC(C)=O)s2)CC1 ZINC000921438071 609716568 /nfs/dbraw/zinc/71/65/68/609716568.db2.gz PIONYKUKRHAYQY-UHFFFAOYSA-N 1 2 342.446 0.477 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)cn1 ZINC000938373714 609759894 /nfs/dbraw/zinc/75/98/94/609759894.db2.gz QKTHAMXEXODAJG-INIZCTEOSA-N 1 2 337.383 0.750 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)cn1 ZINC000938373714 609759895 /nfs/dbraw/zinc/75/98/95/609759895.db2.gz QKTHAMXEXODAJG-INIZCTEOSA-N 1 2 337.383 0.750 20 30 ECEDLO C[NH+](C)[C@H](C(=O)NCCNC(=O)C1N=CC=CC1=O)c1ccccc1 ZINC000171760214 609764135 /nfs/dbraw/zinc/76/41/35/609764135.db2.gz FTCMFYRRWFCXHX-SCDSTIRESA-N 1 2 342.399 0.932 20 30 ECEDLO CC[C@H]1CN(S(=O)(=O)CC(C)(C)C#N)C[C@@H]1[NH+]1CCOCC1 ZINC000914266328 609871181 /nfs/dbraw/zinc/87/11/81/609871181.db2.gz QYTKFJXDXYVSNP-KBPBESRZSA-N 1 2 329.466 0.909 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3COCO3)CC2)cc1 ZINC000923856835 609891847 /nfs/dbraw/zinc/89/18/47/609891847.db2.gz QBSZRZMNWAJYQA-INIZCTEOSA-N 1 2 330.388 0.758 20 30 ECEDLO N#Cc1cc(CS(=O)(=O)N2CC(C[NH+]3CCOCC3)C2)cs1 ZINC000915803020 609922934 /nfs/dbraw/zinc/92/29/34/609922934.db2.gz PVHKUPFNXFGORP-UHFFFAOYSA-N 1 2 341.458 0.714 20 30 ECEDLO C[C@H]1CN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C[C@H](C)N1CC#N ZINC000915854135 609924735 /nfs/dbraw/zinc/92/47/35/609924735.db2.gz FYXSPDHSFHNBMB-GJZGRUSLSA-N 1 2 337.468 0.725 20 30 ECEDLO 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609959683 /nfs/dbraw/zinc/95/96/83/609959683.db2.gz QHLNIRXFSKXSPJ-CYBMUJFWSA-N 1 2 338.408 0.366 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)cc1F ZINC000917061732 609959684 /nfs/dbraw/zinc/95/96/84/609959684.db2.gz QHLNIRXFSKXSPJ-CYBMUJFWSA-N 1 2 338.408 0.366 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cnc(C)[nH]2)C1 ZINC000938756859 609982486 /nfs/dbraw/zinc/98/24/86/609982486.db2.gz ZLLGVSFZLWVVPD-HOCLYGCPSA-N 1 2 343.431 0.489 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)c2cnc(C)[nH]2)C1 ZINC000938756859 609982489 /nfs/dbraw/zinc/98/24/89/609982489.db2.gz ZLLGVSFZLWVVPD-HOCLYGCPSA-N 1 2 343.431 0.489 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000938984212 610060883 /nfs/dbraw/zinc/06/08/83/610060883.db2.gz POWVPBLYPOAGAZ-FMKPAKJESA-N 1 2 346.431 0.911 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC000939305985 610156587 /nfs/dbraw/zinc/15/65/87/610156587.db2.gz DAUQQJFPVZILRN-AWEZNQCLSA-N 1 2 337.383 0.702 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000939306393 610157240 /nfs/dbraw/zinc/15/72/40/610157240.db2.gz HWMWMLLGUREOJE-MJBXVCDLSA-N 1 2 332.404 0.603 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC000939514678 610224498 /nfs/dbraw/zinc/22/44/98/610224498.db2.gz WLFFKGMBCBDIOS-IUODEOHRSA-N 1 2 337.383 0.605 20 30 ECEDLO C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCc4c[nH]nc43)CC2)C1 ZINC000941410853 610301875 /nfs/dbraw/zinc/30/18/75/610301875.db2.gz PEKKYHKWTLYKIT-KRWDZBQOSA-N 1 2 341.459 0.681 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc(N(C)C)nc3)CC2)C1 ZINC000941471297 610330108 /nfs/dbraw/zinc/33/01/08/610330108.db2.gz WFOMFRNJAVDEEB-UHFFFAOYSA-N 1 2 341.459 0.613 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3Cc4ccccc4O3)CC2)C1 ZINC000941481385 610335675 /nfs/dbraw/zinc/33/56/75/610335675.db2.gz VPNAWZCDGGZYOH-LJQANCHMSA-N 1 2 339.439 0.842 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@@H](C)n3ccc(C)n3)CC2)C1 ZINC000941513860 610352762 /nfs/dbraw/zinc/35/27/62/610352762.db2.gz VMBUYFDHGZSLNZ-MRXNPFEDSA-N 1 2 329.448 0.604 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3ncccc3OC)CC2)C1 ZINC000941534135 610365860 /nfs/dbraw/zinc/36/58/60/610365860.db2.gz NQWOHDSZZHXJHO-UHFFFAOYSA-N 1 2 328.416 0.094 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4ccccc4O3)CC2)C1 ZINC000941605476 610404258 /nfs/dbraw/zinc/40/42/58/610404258.db2.gz KAIVNYQSQOKVRK-IBGZPJMESA-N 1 2 339.439 0.842 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnn(C(F)F)c3)CC2)C1 ZINC000941617806 610413167 /nfs/dbraw/zinc/41/31/67/610413167.db2.gz HORRARNEODRTLK-UHFFFAOYSA-N 1 2 337.374 0.744 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnc(C4CC4)[nH]c3=O)CC2)C1 ZINC000941596685 610414252 /nfs/dbraw/zinc/41/42/52/610414252.db2.gz MYBAEDCNDATJKZ-UHFFFAOYSA-N 1 2 341.415 0.135 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccc4nc(C)[nH]c43)CC2)C1 ZINC000941630276 610417495 /nfs/dbraw/zinc/41/74/95/610417495.db2.gz MYHPHLSDKBRCMK-UHFFFAOYSA-N 1 2 337.427 0.947 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc4c([nH]3)CCC4)CC2)C1 ZINC000941636830 610422708 /nfs/dbraw/zinc/42/27/08/610422708.db2.gz VPXVTOCOPPSEAE-UHFFFAOYSA-N 1 2 326.444 0.969 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)C1 ZINC000941656997 610431223 /nfs/dbraw/zinc/43/12/23/610431223.db2.gz PKRCDIGTZLGLHX-UHFFFAOYSA-N 1 2 343.427 0.779 20 30 ECEDLO O=C(C#CC1CC1)N1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000941004232 610488458 /nfs/dbraw/zinc/48/84/58/610488458.db2.gz SDSLRTPJJWNEOU-MRXNPFEDSA-N 1 2 340.427 0.920 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3ncnn3C)C[C@H]2C)c1 ZINC000942613722 610538164 /nfs/dbraw/zinc/53/81/64/610538164.db2.gz AGPNXOYYSWETJD-CZUORRHYSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3ncnn3C)C[C@H]2C)c1 ZINC000942613722 610538167 /nfs/dbraw/zinc/53/81/67/610538167.db2.gz AGPNXOYYSWETJD-CZUORRHYSA-N 1 2 338.415 0.832 20 30 ECEDLO Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](C)C2)[nH]1 ZINC000941929027 610567155 /nfs/dbraw/zinc/56/71/55/610567155.db2.gz IJHDYULQTKSWPF-GWCFXTLKSA-N 1 2 327.392 0.953 20 30 ECEDLO Cc1nnc(C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](C)C2)[nH]1 ZINC000941929027 610567157 /nfs/dbraw/zinc/56/71/57/610567157.db2.gz IJHDYULQTKSWPF-GWCFXTLKSA-N 1 2 327.392 0.953 20 30 ECEDLO COCC(=O)N1CCN(C2C[NH+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000941267839 610634104 /nfs/dbraw/zinc/63/41/04/610634104.db2.gz QEJCVLCLSZKRJW-UHFFFAOYSA-N 1 2 328.416 0.533 20 30 ECEDLO COCC(=O)N1CCN(C2C[NH+](Cc3cccc(C#N)c3)C2)CC1 ZINC000941268173 610634191 /nfs/dbraw/zinc/63/41/91/610634191.db2.gz VUWFGSVLYUWNDV-UHFFFAOYSA-N 1 2 328.416 0.533 20 30 ECEDLO Cc1cccnc1C[NH+]1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC000941348221 610684707 /nfs/dbraw/zinc/68/47/07/610684707.db2.gz JWUJNRPUAXFYST-OAHLLOKOSA-N 1 2 327.432 0.878 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3nncn3C)C[C@@H]2C)nn1 ZINC000943483184 610869199 /nfs/dbraw/zinc/86/91/99/610869199.db2.gz UWUNEDJOPLEFHC-QWHCGFSZSA-N 1 2 344.423 0.233 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3nncn3C)C[C@@H]2C)nn1 ZINC000943483184 610869202 /nfs/dbraw/zinc/86/92/02/610869202.db2.gz UWUNEDJOPLEFHC-QWHCGFSZSA-N 1 2 344.423 0.233 20 30 ECEDLO C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000945279371 610994861 /nfs/dbraw/zinc/99/48/61/610994861.db2.gz LWCFWTBLIWZMBR-XHDPSFHLSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000945540008 611064941 /nfs/dbraw/zinc/06/49/41/611064941.db2.gz IWSKBJVATNQRQB-RISCZKNCSA-N 1 2 340.387 0.819 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC000946023986 611199626 /nfs/dbraw/zinc/19/96/26/611199626.db2.gz CKCFWEAEWHPSHW-CABCVRRESA-N 1 2 326.400 0.815 20 30 ECEDLO CCOc1ccc(NC(=O)CN2CC[NH+](C[C@H](O)CC#N)CC2)cc1 ZINC000929843165 611799164 /nfs/dbraw/zinc/79/91/64/611799164.db2.gz HQHCWVQRRAPYCC-MRXNPFEDSA-N 1 2 346.431 0.916 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCOC2(CC[NH+]([C@@H](C)c3nnnn3C)CC2)C1 ZINC000949053856 611830533 /nfs/dbraw/zinc/83/05/33/611830533.db2.gz MSNINGQIQGVYSX-OLZOCXBDSA-N 1 2 347.423 0.124 20 30 ECEDLO O=C(C#CC1CC1)N1CCC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000950763863 611895735 /nfs/dbraw/zinc/89/57/35/611895735.db2.gz CSOBEHGTHPYGLA-HZPDHXFCSA-N 1 2 340.427 0.966 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](C)c3ccnn3C)CC2)C1 ZINC000949370472 611954665 /nfs/dbraw/zinc/95/46/65/611954665.db2.gz UCBRFWIZOLZSST-OAHLLOKOSA-N 1 2 330.432 0.850 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H](C)c3ccnn3C)CC2)C1 ZINC000949370472 611954666 /nfs/dbraw/zinc/95/46/66/611954666.db2.gz UCBRFWIZOLZSST-OAHLLOKOSA-N 1 2 330.432 0.850 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)CCc3cc(OC)no3)CC2)C1 ZINC000949379244 611957617 /nfs/dbraw/zinc/95/76/17/611957617.db2.gz UMNXTBPHJVNILH-UHFFFAOYSA-N 1 2 347.415 0.942 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)CCc3cc(OC)no3)CC2)C1 ZINC000949379244 611957618 /nfs/dbraw/zinc/95/76/18/611957618.db2.gz UMNXTBPHJVNILH-UHFFFAOYSA-N 1 2 347.415 0.942 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C[C@H]3CCCC(=O)N3)CC2)C1 ZINC000949408624 611968982 /nfs/dbraw/zinc/96/89/82/611968982.db2.gz DFHSXTWRVHZNIJ-OAHLLOKOSA-N 1 2 333.432 0.372 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C[C@H]3CCCC(=O)N3)CC2)C1 ZINC000949408624 611968984 /nfs/dbraw/zinc/96/89/84/611968984.db2.gz DFHSXTWRVHZNIJ-OAHLLOKOSA-N 1 2 333.432 0.372 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCCC(=O)N3)CC2)C1 ZINC000949408623 611969203 /nfs/dbraw/zinc/96/92/03/611969203.db2.gz DFHSXTWRVHZNIJ-HNNXBMFYSA-N 1 2 333.432 0.372 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C[C@@H]3CCCC(=O)N3)CC2)C1 ZINC000949408623 611969206 /nfs/dbraw/zinc/96/92/06/611969206.db2.gz DFHSXTWRVHZNIJ-HNNXBMFYSA-N 1 2 333.432 0.372 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC000950319746 611969574 /nfs/dbraw/zinc/96/95/74/611969574.db2.gz LGJOELHYGHYHFP-GFCCVEGCSA-N 1 2 326.360 0.573 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CC(=O)N[C@@H](CC)C3)CC2)C1 ZINC000949423492 611973828 /nfs/dbraw/zinc/97/38/28/611973828.db2.gz DQEFSSUGTMEXQI-HOTGVXAUSA-N 1 2 347.459 0.618 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC(=O)N[C@@H](CC)C3)CC2)C1 ZINC000949423492 611973829 /nfs/dbraw/zinc/97/38/29/611973829.db2.gz DQEFSSUGTMEXQI-HOTGVXAUSA-N 1 2 347.459 0.618 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c[nH]1 ZINC000949485406 611999543 /nfs/dbraw/zinc/99/95/43/611999543.db2.gz FOZMMIKKANZTCZ-BFHYXJOUSA-N 1 2 338.371 0.744 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c[nH]1 ZINC000949485406 611999544 /nfs/dbraw/zinc/99/95/44/611999544.db2.gz FOZMMIKKANZTCZ-BFHYXJOUSA-N 1 2 338.371 0.744 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)Cn3c(C)csc3=O)CC2)C1 ZINC000949523619 612019900 /nfs/dbraw/zinc/01/99/00/612019900.db2.gz VTIDIOWUPZRINH-UHFFFAOYSA-N 1 2 349.456 0.545 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)Cn3c(C)csc3=O)CC2)C1 ZINC000949523619 612019902 /nfs/dbraw/zinc/01/99/02/612019902.db2.gz VTIDIOWUPZRINH-UHFFFAOYSA-N 1 2 349.456 0.545 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cncnc3CC)CC2)C1 ZINC000949529398 612022438 /nfs/dbraw/zinc/02/24/38/612022438.db2.gz RPMVCETZSMPSMX-UHFFFAOYSA-N 1 2 328.416 0.979 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cncnc3CC)CC2)C1 ZINC000949529398 612022439 /nfs/dbraw/zinc/02/24/39/612022439.db2.gz RPMVCETZSMPSMX-UHFFFAOYSA-N 1 2 328.416 0.979 20 30 ECEDLO N#Cc1ccc(C(=O)NCC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)[nH]1 ZINC000949568476 612033188 /nfs/dbraw/zinc/03/31/88/612033188.db2.gz IUDXYANFMXCATR-UHFFFAOYSA-N 1 2 340.387 0.821 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000950476407 612034251 /nfs/dbraw/zinc/03/42/51/612034251.db2.gz ADFFTEKMCVTWCT-CYBMUJFWSA-N 1 2 340.387 0.881 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC000953185306 612196303 /nfs/dbraw/zinc/19/63/03/612196303.db2.gz HGAUYXVSOVIJIL-GUYCJALGSA-N 1 2 329.404 0.953 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC000953185306 612196305 /nfs/dbraw/zinc/19/63/05/612196305.db2.gz HGAUYXVSOVIJIL-GUYCJALGSA-N 1 2 329.404 0.953 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC000953185300 612196515 /nfs/dbraw/zinc/19/65/15/612196515.db2.gz HGAUYXVSOVIJIL-CXAGYDPISA-N 1 2 329.404 0.953 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC000953185300 612196517 /nfs/dbraw/zinc/19/65/17/612196517.db2.gz HGAUYXVSOVIJIL-CXAGYDPISA-N 1 2 329.404 0.953 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC000952151659 612251028 /nfs/dbraw/zinc/25/10/28/612251028.db2.gz QAOXRYURICEIAE-OAHLLOKOSA-N 1 2 337.383 0.750 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC000953370139 612277422 /nfs/dbraw/zinc/27/74/22/612277422.db2.gz OTQKIWBYONTGLT-HOTGVXAUSA-N 1 2 326.400 0.746 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cnc(C)[nH]2)C1 ZINC000953891731 612399946 /nfs/dbraw/zinc/39/99/46/612399946.db2.gz OEGVJVLLUCPPSD-HNNXBMFYSA-N 1 2 329.404 0.099 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cnc(C)[nH]2)C1 ZINC000953891731 612399952 /nfs/dbraw/zinc/39/99/52/612399952.db2.gz OEGVJVLLUCPPSD-HNNXBMFYSA-N 1 2 329.404 0.099 20 30 ECEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)CCn3cnnn3)CC2)c1 ZINC000952389697 612403820 /nfs/dbraw/zinc/40/38/20/612403820.db2.gz KDPHRZBRUABCQP-UHFFFAOYSA-N 1 2 325.376 0.279 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC000952610333 612550139 /nfs/dbraw/zinc/55/01/39/612550139.db2.gz DJMOCOYRULHMNT-CVEARBPZSA-N 1 2 326.400 0.958 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000954081604 612641692 /nfs/dbraw/zinc/64/16/92/612641692.db2.gz NINWKODUPWBLSZ-UHFFFAOYSA-N 1 2 340.387 0.535 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)CCc2c[nH]c[nH+]2)[nH]1 ZINC000956063559 612666887 /nfs/dbraw/zinc/66/68/87/612666887.db2.gz HHWFUWPOCIQMHA-AWEZNQCLSA-N 1 2 340.387 0.963 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)CCc2c[nH+]c[nH]2)[nH]1 ZINC000956063559 612666888 /nfs/dbraw/zinc/66/68/88/612666888.db2.gz HHWFUWPOCIQMHA-AWEZNQCLSA-N 1 2 340.387 0.963 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000955631506 612719877 /nfs/dbraw/zinc/71/98/77/612719877.db2.gz XEQTWQQAASXCLY-NEPJUHHUSA-N 1 2 340.387 0.961 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCCN2C(=O)Cc2[nH]cc[nH+]2)nc1 ZINC000956178721 612761206 /nfs/dbraw/zinc/76/12/06/612761206.db2.gz FLIFAKFORYMTQF-AWEZNQCLSA-N 1 2 337.383 0.750 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000956179122 612761716 /nfs/dbraw/zinc/76/17/16/612761716.db2.gz KWFFLVWPBBHOFQ-MJBXVCDLSA-N 1 2 332.404 0.651 20 30 ECEDLO C=CCn1cc(C(=O)N2CC(N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)nn1 ZINC000954933089 612796091 /nfs/dbraw/zinc/79/60/91/612796091.db2.gz BUDIHSKXMIRXAL-UHFFFAOYSA-N 1 2 343.391 0.021 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)CC(C)(C)O)CC2)C1 ZINC000956591833 612920938 /nfs/dbraw/zinc/92/09/38/612920938.db2.gz AAFORGMKTOQETA-KGLIPLIRSA-N 1 2 336.436 0.052 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)CC(F)(F)F)C2)CC1 ZINC000956605400 612924486 /nfs/dbraw/zinc/92/44/86/612924486.db2.gz KQWDDIDAXLHRRN-RYUDHWBXSA-N 1 2 346.353 0.844 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)COC)C2)CC1 ZINC000956607000 612925162 /nfs/dbraw/zinc/92/51/62/612925162.db2.gz XRQNJYVFJKODDI-MAUKXSAKSA-N 1 2 337.464 0.980 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H](C)CCNC(=O)Cc2[nH]cc[nH+]2)nn1 ZINC001078037134 782191589 /nfs/dbraw/zinc/19/15/89/782191589.db2.gz HWOCZDWRGQHCAU-NSHDSACASA-N 1 2 331.380 0.055 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)C2)C1 ZINC000972394860 736114645 /nfs/dbraw/zinc/11/46/45/736114645.db2.gz RPYMQZVSLAENAH-BEFAXECRSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)C2)C1 ZINC000972394860 736114646 /nfs/dbraw/zinc/11/46/46/736114646.db2.gz RPYMQZVSLAENAH-BEFAXECRSA-N 1 2 347.459 0.570 20 30 ECEDLO CCOc1cccnc1C(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001211501176 731773946 /nfs/dbraw/zinc/77/39/46/731773946.db2.gz BQCBUUZXDICNTF-CHWSQXEVSA-N 1 2 345.403 0.170 20 30 ECEDLO CCOc1cccnc1C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001211501176 731773948 /nfs/dbraw/zinc/77/39/48/731773948.db2.gz BQCBUUZXDICNTF-CHWSQXEVSA-N 1 2 345.403 0.170 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH+]ccn1C ZINC000969584712 731985171 /nfs/dbraw/zinc/98/51/71/731985171.db2.gz RKFAOXJFWWSTFH-MELADBBJSA-N 1 2 329.404 0.714 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001025090711 738632300 /nfs/dbraw/zinc/63/23/00/738632300.db2.gz PIFMBCAIWHJFOV-MCIONIFRSA-N 1 2 334.424 0.272 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](Cc2conc2C)C[C@H]1O ZINC001078082575 782274939 /nfs/dbraw/zinc/27/49/39/782274939.db2.gz OIIYXHCYCSKQLJ-QZTJIDSGSA-N 1 2 339.395 0.868 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](Cc2conc2C)C[C@H]1O ZINC001078082575 782274948 /nfs/dbraw/zinc/27/49/48/782274948.db2.gz OIIYXHCYCSKQLJ-QZTJIDSGSA-N 1 2 339.395 0.868 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3csnn3)C2)nn1 ZINC000970206253 733200467 /nfs/dbraw/zinc/20/04/67/733200467.db2.gz RRBACPHWGSSJGO-GHMZBOCLSA-N 1 2 333.421 0.881 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3nc(CC)no3)C2)nn1 ZINC000970206544 733201093 /nfs/dbraw/zinc/20/10/93/733201093.db2.gz XCMZJRYMKJIEDH-VXGBXAGGSA-N 1 2 345.407 0.975 20 30 ECEDLO C[C@H](NC(=O)c1nnn(C)n1)C1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000970290250 733315193 /nfs/dbraw/zinc/31/51/93/733315193.db2.gz WUROGUYXFQIJDR-JTQLQIEISA-N 1 2 343.366 0.471 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H](C)C2C[NH+](Cc3cc(C)n(C)n3)C2)nn1 ZINC000970543802 733660609 /nfs/dbraw/zinc/66/06/09/733660609.db2.gz AXIGXEVFVQGFHX-ZDUSSCGKSA-N 1 2 343.435 0.756 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC000970825130 733993358 /nfs/dbraw/zinc/99/33/58/733993358.db2.gz IEQJESKIXWXSJV-RISCZKNCSA-N 1 2 329.828 0.423 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NC[C@@H]1CN(c2ccncc2C#N)CCO1 ZINC001104322297 734300507 /nfs/dbraw/zinc/30/05/07/734300507.db2.gz ZTTNQRDTQRXZOI-OAHLLOKOSA-N 1 2 340.387 0.251 20 30 ECEDLO CC(C)(C(=O)N(CCO)CCNc1ccc(C#N)cn1)c1c[nH+]c[nH]1 ZINC001111489328 734410835 /nfs/dbraw/zinc/41/08/35/734410835.db2.gz TYHDBSMCIWNLEV-UHFFFAOYSA-N 1 2 342.403 0.887 20 30 ECEDLO N#Cc1ccc(N2CCO[C@H](CNC(=O)CCn3cc[nH+]c3)C2)cn1 ZINC001104338352 734436397 /nfs/dbraw/zinc/43/63/97/734436397.db2.gz SYZYFYOYHFAZSR-MRXNPFEDSA-N 1 2 340.387 0.561 20 30 ECEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)C(C)(C)C#N ZINC001143398205 734875913 /nfs/dbraw/zinc/87/59/13/734875913.db2.gz CZBJDDAOSQTNTR-SUMWQHHRSA-N 1 2 337.420 0.791 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)[nH]1 ZINC000973181056 738872591 /nfs/dbraw/zinc/87/25/91/738872591.db2.gz OAJPAUNWUDWMBI-FDYHWXHSSA-N 1 2 338.371 0.790 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)[nH]1 ZINC000973181056 738872598 /nfs/dbraw/zinc/87/25/98/738872598.db2.gz OAJPAUNWUDWMBI-FDYHWXHSSA-N 1 2 338.371 0.790 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc(N(C)C)cn3)C2)C1 ZINC000972380833 736049621 /nfs/dbraw/zinc/04/96/21/736049621.db2.gz KFGYPAYDXAIIGG-GOSISDBHSA-N 1 2 343.431 0.483 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc(N(C)C)cn3)C2)C1 ZINC000972380833 736049625 /nfs/dbraw/zinc/04/96/25/736049625.db2.gz KFGYPAYDXAIIGG-GOSISDBHSA-N 1 2 343.431 0.483 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccnc4[nH]cnc43)C2)C1 ZINC000972396880 736121449 /nfs/dbraw/zinc/12/14/49/736121449.db2.gz DHPKCUZAJLLVIY-GOSISDBHSA-N 1 2 339.399 0.898 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccnc4[nH]cnc43)C2)C1 ZINC000972396880 736121452 /nfs/dbraw/zinc/12/14/52/736121452.db2.gz DHPKCUZAJLLVIY-GOSISDBHSA-N 1 2 339.399 0.898 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccnc4ccnn43)C2)C1 ZINC000972411406 736146339 /nfs/dbraw/zinc/14/63/39/736146339.db2.gz ZPWXBWHQXMFFLB-GOSISDBHSA-N 1 2 339.399 0.670 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccnc4ccnn43)C2)C1 ZINC000972411406 736146340 /nfs/dbraw/zinc/14/63/40/736146340.db2.gz ZPWXBWHQXMFFLB-GOSISDBHSA-N 1 2 339.399 0.670 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCNC(=O)C3)C2)C1 ZINC000972431580 736181968 /nfs/dbraw/zinc/18/19/68/736181968.db2.gz RLFZLENZXXTTRT-ZWKOTPCHSA-N 1 2 333.432 0.229 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCNC(=O)C3)C2)C1 ZINC000972431580 736181972 /nfs/dbraw/zinc/18/19/72/736181972.db2.gz RLFZLENZXXTTRT-ZWKOTPCHSA-N 1 2 333.432 0.229 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)C2)C1 ZINC000972438693 736195991 /nfs/dbraw/zinc/19/59/91/736195991.db2.gz SVLPQOJOPBGFOU-CRAIPNDOSA-N 1 2 333.432 0.181 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)C2)C1 ZINC000972438693 736195992 /nfs/dbraw/zinc/19/59/92/736195992.db2.gz SVLPQOJOPBGFOU-CRAIPNDOSA-N 1 2 333.432 0.181 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4cncn4C3)C2)C1 ZINC000972441920 736204932 /nfs/dbraw/zinc/20/49/32/736204932.db2.gz WLVNGRLFHXODIL-YJBOKZPZSA-N 1 2 330.432 0.935 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4cncn4C3)C2)C1 ZINC000972441920 736204936 /nfs/dbraw/zinc/20/49/36/736204936.db2.gz WLVNGRLFHXODIL-YJBOKZPZSA-N 1 2 330.432 0.935 20 30 ECEDLO N#CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC000972442066 736205694 /nfs/dbraw/zinc/20/56/94/736205694.db2.gz YKURUNUKFXKLAJ-RHSMWYFYSA-N 1 2 329.404 0.272 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCN3C(=O)CCC3=O)C2)C1 ZINC000972456314 736246252 /nfs/dbraw/zinc/24/62/52/736246252.db2.gz XLHHEZFQDWLFDU-KRWDZBQOSA-N 1 2 335.404 0.015 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCN3C(=O)CCC3=O)C2)C1 ZINC000972456314 736246255 /nfs/dbraw/zinc/24/62/55/736246255.db2.gz XLHHEZFQDWLFDU-KRWDZBQOSA-N 1 2 335.404 0.015 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4nccn4c3)C2)C1 ZINC000972467410 736273391 /nfs/dbraw/zinc/27/33/91/736273391.db2.gz XIXUPSJHXXOLOE-SFHVURJKSA-N 1 2 339.399 0.670 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4nccn4c3)C2)C1 ZINC000972467410 736273394 /nfs/dbraw/zinc/27/33/94/736273394.db2.gz XIXUPSJHXXOLOE-SFHVURJKSA-N 1 2 339.399 0.670 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)C2)C1 ZINC000972478193 736303070 /nfs/dbraw/zinc/30/30/70/736303070.db2.gz FHPNTNISTZRDGX-MDZRGWNJSA-N 1 2 342.443 0.850 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)C2)C1 ZINC000972478193 736303073 /nfs/dbraw/zinc/30/30/73/736303073.db2.gz FHPNTNISTZRDGX-MDZRGWNJSA-N 1 2 342.443 0.850 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(C)nn(C)c3C)C2)C1 ZINC000972485015 736324915 /nfs/dbraw/zinc/32/49/15/736324915.db2.gz RAKXSHCHZKKZAZ-GOSISDBHSA-N 1 2 330.432 0.977 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(C)nn(C)c3C)C2)C1 ZINC000972485015 736324918 /nfs/dbraw/zinc/32/49/18/736324918.db2.gz RAKXSHCHZKKZAZ-GOSISDBHSA-N 1 2 330.432 0.977 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c(C)c(C)n[nH]c3=O)C2)C1 ZINC000972492046 736376717 /nfs/dbraw/zinc/37/67/17/736376717.db2.gz HIBZHAQJLMCFIG-GOSISDBHSA-N 1 2 344.415 0.739 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c(C)c(C)n[nH]c3=O)C2)C1 ZINC000972492046 736376719 /nfs/dbraw/zinc/37/67/19/736376719.db2.gz HIBZHAQJLMCFIG-GOSISDBHSA-N 1 2 344.415 0.739 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccoc3CC(N)=O)C2)C1 ZINC000972523674 736567458 /nfs/dbraw/zinc/56/74/58/736567458.db2.gz KVVYFGTWEKAQMM-QGZVFWFLSA-N 1 2 333.388 0.410 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccoc3CC(N)=O)C2)C1 ZINC000972523674 736567460 /nfs/dbraw/zinc/56/74/60/736567460.db2.gz KVVYFGTWEKAQMM-QGZVFWFLSA-N 1 2 333.388 0.410 20 30 ECEDLO Cn1cnnc1C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023296269 736655783 /nfs/dbraw/zinc/65/57/83/736655783.db2.gz SYBCGNSBPYRTKB-LBPRGKRZSA-N 1 2 327.392 0.657 20 30 ECEDLO Cn1cnnc1C[N@H+]1CCC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023296269 736655784 /nfs/dbraw/zinc/65/57/84/736655784.db2.gz SYBCGNSBPYRTKB-LBPRGKRZSA-N 1 2 327.392 0.657 20 30 ECEDLO Cc1nnc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)[nH]1 ZINC001023318796 736678607 /nfs/dbraw/zinc/67/86/07/736678607.db2.gz NQQMFRATPHPAPP-LBPRGKRZSA-N 1 2 327.392 0.955 20 30 ECEDLO Cc1nnc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)[nH]1 ZINC001023318796 736678608 /nfs/dbraw/zinc/67/86/08/736678608.db2.gz NQQMFRATPHPAPP-LBPRGKRZSA-N 1 2 327.392 0.955 20 30 ECEDLO C[C@H](c1nnnn1C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001023318748 736678870 /nfs/dbraw/zinc/67/88/70/736678870.db2.gz MAUFPDNZHFPXBV-VXGBXAGGSA-N 1 2 342.407 0.613 20 30 ECEDLO C[C@H](c1nnnn1C)[N@H+]1CCC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001023318748 736678874 /nfs/dbraw/zinc/67/88/74/736678874.db2.gz MAUFPDNZHFPXBV-VXGBXAGGSA-N 1 2 342.407 0.613 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3nnn(CC)c3CC)C2)C1 ZINC000972549514 736686895 /nfs/dbraw/zinc/68/68/95/736686895.db2.gz OWDAUTZYSWJZNT-GOSISDBHSA-N 1 2 345.447 0.801 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3nnn(CC)c3CC)C2)C1 ZINC000972549514 736686898 /nfs/dbraw/zinc/68/68/98/736686898.db2.gz OWDAUTZYSWJZNT-GOSISDBHSA-N 1 2 345.447 0.801 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3cn(C)nc3Cl)C2)C1 ZINC000972551767 736699866 /nfs/dbraw/zinc/69/98/66/736699866.db2.gz FSCGOXOIEDKUTQ-INIZCTEOSA-N 1 2 336.823 0.553 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cn(C)nc3Cl)C2)C1 ZINC000972551767 736699869 /nfs/dbraw/zinc/69/98/69/736699869.db2.gz FSCGOXOIEDKUTQ-INIZCTEOSA-N 1 2 336.823 0.553 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 ZINC000972608088 737087613 /nfs/dbraw/zinc/08/76/13/737087613.db2.gz IWIXTIJROPEAOR-KRWDZBQOSA-N 1 2 327.388 0.832 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 ZINC000972608088 737087620 /nfs/dbraw/zinc/08/76/20/737087620.db2.gz IWIXTIJROPEAOR-KRWDZBQOSA-N 1 2 327.388 0.832 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(=O)NC)nc3)C2)C1 ZINC000972639837 737199937 /nfs/dbraw/zinc/19/99/37/737199937.db2.gz BWFGALBYZNZCJF-SFHVURJKSA-N 1 2 344.415 0.544 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc(C(=O)NC)nc3)C2)C1 ZINC000972639837 737199942 /nfs/dbraw/zinc/19/99/42/737199942.db2.gz BWFGALBYZNZCJF-SFHVURJKSA-N 1 2 344.415 0.544 20 30 ECEDLO N#Cc1nccnc1NCCN(CCO)C(=O)CCCn1cc[nH+]c1 ZINC001111484558 737304066 /nfs/dbraw/zinc/30/40/66/737304066.db2.gz HDVOJXYHHFLRQI-UHFFFAOYSA-N 1 2 343.391 0.258 20 30 ECEDLO N#Cc1cncc(NCCN(CCO)C(=O)CCCn2cc[nH+]c2)n1 ZINC001111484622 737423179 /nfs/dbraw/zinc/42/31/79/737423179.db2.gz KTOJCBXKFGIZHF-UHFFFAOYSA-N 1 2 343.391 0.258 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)N3CCOCC3)C2)C1 ZINC000972709114 737521954 /nfs/dbraw/zinc/52/19/54/737521954.db2.gz ZGHAVDVCJUQNHH-FUHWJXTLSA-N 1 2 335.448 0.034 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)N3CCOCC3)C2)C1 ZINC000972709114 737521962 /nfs/dbraw/zinc/52/19/62/737521962.db2.gz ZGHAVDVCJUQNHH-FUHWJXTLSA-N 1 2 335.448 0.034 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC#CC)C[C@@H]2n2ccnn2)cc1 ZINC001069993588 790288065 /nfs/dbraw/zinc/28/80/65/790288065.db2.gz FLVINACRSQCEED-MSOLQXFVSA-N 1 2 333.395 0.938 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC#CC)C[C@@H]2n2ccnn2)cc1 ZINC001069993588 790288070 /nfs/dbraw/zinc/28/80/70/790288070.db2.gz FLVINACRSQCEED-MSOLQXFVSA-N 1 2 333.395 0.938 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(CC)CC)C[C@H]1O ZINC001024356561 737919794 /nfs/dbraw/zinc/91/97/94/737919794.db2.gz AVRSYJLNUWGFRX-OWCLPIDISA-N 1 2 335.448 0.208 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(CC)CC)C[C@H]1O ZINC001024356561 737919795 /nfs/dbraw/zinc/91/97/95/737919795.db2.gz AVRSYJLNUWGFRX-OWCLPIDISA-N 1 2 335.448 0.208 20 30 ECEDLO C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCCS1(=O)=O ZINC001024478187 738006525 /nfs/dbraw/zinc/00/65/25/738006525.db2.gz SIFWTXYPFOHXBT-HUUCEWRRSA-N 1 2 326.462 0.948 20 30 ECEDLO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCCS1(=O)=O ZINC001024478187 738006529 /nfs/dbraw/zinc/00/65/29/738006529.db2.gz SIFWTXYPFOHXBT-HUUCEWRRSA-N 1 2 326.462 0.948 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cnnn2C)nn1 ZINC001024698495 738229000 /nfs/dbraw/zinc/22/90/00/738229000.db2.gz JNQKBXMWCVEQJV-CYBMUJFWSA-N 1 2 344.423 0.377 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cnnn2C)nn1 ZINC001024698495 738229003 /nfs/dbraw/zinc/22/90/03/738229003.db2.gz JNQKBXMWCVEQJV-CYBMUJFWSA-N 1 2 344.423 0.377 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1COCCN1C(C)=O ZINC001024806171 738311158 /nfs/dbraw/zinc/31/11/58/738311158.db2.gz GSWKMLSASJQRLQ-HUUCEWRRSA-N 1 2 343.855 0.957 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1COCCN1C(C)=O ZINC001024806171 738311163 /nfs/dbraw/zinc/31/11/63/738311163.db2.gz GSWKMLSASJQRLQ-HUUCEWRRSA-N 1 2 343.855 0.957 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3cnn(CC)c3)C2)nn1 ZINC001105359452 751419427 /nfs/dbraw/zinc/41/94/27/751419427.db2.gz HWZTWKZROQJTTH-UHFFFAOYSA-N 1 2 341.419 0.233 20 30 ECEDLO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@@H]1CCC[N@H+](Cc2nnnn2C)C1 ZINC001025391566 739367109 /nfs/dbraw/zinc/36/71/09/739367109.db2.gz SVBUYLIHLXSFTI-VXGBXAGGSA-N 1 2 342.407 0.440 20 30 ECEDLO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@@H]1CCC[N@@H+](Cc2nnnn2C)C1 ZINC001025391566 739367115 /nfs/dbraw/zinc/36/71/15/739367115.db2.gz SVBUYLIHLXSFTI-VXGBXAGGSA-N 1 2 342.407 0.440 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)[C@@H](C)CNc1[nH+]cnc2c1cnn2C ZINC001104683399 739479697 /nfs/dbraw/zinc/47/96/97/739479697.db2.gz JBXHDCHSIYTWAE-NWDGAFQWSA-N 1 2 330.392 0.660 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cn3c(C)c(C)sc3=O)[C@H]2C1 ZINC001083283881 739746400 /nfs/dbraw/zinc/74/64/00/739746400.db2.gz ZGVUMOYEGIUIKD-UONOGXRCSA-N 1 2 335.429 0.071 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c(C)c(C)sc3=O)[C@H]2C1 ZINC001083283881 739746403 /nfs/dbraw/zinc/74/64/03/739746403.db2.gz ZGVUMOYEGIUIKD-UONOGXRCSA-N 1 2 335.429 0.071 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC2(CCN(CC#N)CC2)O1 ZINC001098603639 739794062 /nfs/dbraw/zinc/79/40/62/739794062.db2.gz SWAKKXZBRLGMRX-CQSZACIVSA-N 1 2 331.420 0.948 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC2(CCN(CC#N)CC2)O1 ZINC001098603639 739794064 /nfs/dbraw/zinc/79/40/64/739794064.db2.gz SWAKKXZBRLGMRX-CQSZACIVSA-N 1 2 331.420 0.948 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3nncn3C)C[C@H]21 ZINC001025790817 739953775 /nfs/dbraw/zinc/95/37/75/739953775.db2.gz RKVLDHZHGHYLEN-ODICJLLRSA-N 1 2 345.447 0.904 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3nncn3C)C[C@H]21 ZINC001025790817 739953779 /nfs/dbraw/zinc/95/37/79/739953779.db2.gz RKVLDHZHGHYLEN-ODICJLLRSA-N 1 2 345.447 0.904 20 30 ECEDLO C[C@@H]1CN(C(=O)c2cn(C)ccc2=O)CC2(CC[NH+](CC#N)CC2)O1 ZINC001098613549 740951524 /nfs/dbraw/zinc/95/15/24/740951524.db2.gz AKYIWQZAMUFULA-CQSZACIVSA-N 1 2 344.415 0.604 20 30 ECEDLO CC(C)C[C@@H](CNc1ccnc(C#N)n1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001104956740 741031698 /nfs/dbraw/zinc/03/16/98/741031698.db2.gz JNEFFSQOPZUAFO-LBPRGKRZSA-N 1 2 327.392 0.679 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC000974176173 741059304 /nfs/dbraw/zinc/05/93/04/741059304.db2.gz YLJOVTHQLBVXRI-TXEJJXNPSA-N 1 2 343.391 0.197 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000974183150 741069332 /nfs/dbraw/zinc/06/93/32/741069332.db2.gz WYZSANYWWXIIHO-OSRDXIQISA-N 1 2 332.404 0.697 20 30 ECEDLO C#CCNC(=O)CC(=O)N1CCC[C@@H]([C@@H](C)Nc2cc[nH+]c(C)n2)C1 ZINC001105077359 741307858 /nfs/dbraw/zinc/30/78/58/741307858.db2.gz MTKUAPXYPCIMJW-UKRRQHHQSA-N 1 2 343.431 0.964 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3nc(C)c[nH]3)CC2)C1=O ZINC000982139131 751632346 /nfs/dbraw/zinc/63/23/46/751632346.db2.gz KXCWQYOJCJMWAQ-AWEZNQCLSA-N 1 2 331.420 0.653 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3nc(C)c[nH]3)CC2)C1=O ZINC000982139131 751632348 /nfs/dbraw/zinc/63/23/48/751632348.db2.gz KXCWQYOJCJMWAQ-AWEZNQCLSA-N 1 2 331.420 0.653 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)n3cccn3)C2)nn1 ZINC001105169394 741433796 /nfs/dbraw/zinc/43/37/96/741433796.db2.gz GEJBZFOLTJRXLN-ZDUSSCGKSA-N 1 2 327.392 0.232 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(CC)c3)C2)nn1 ZINC001105194958 741459697 /nfs/dbraw/zinc/45/96/97/741459697.db2.gz RJNMPDGFYSRIAT-UHFFFAOYSA-N 1 2 327.392 0.305 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC3(C)C)C2)nn1 ZINC001105213891 741477314 /nfs/dbraw/zinc/47/73/14/741477314.db2.gz SODOJRVLGWMXDY-HNNXBMFYSA-N 1 2 331.420 0.447 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC(n2cc(C[NH2+]C/C=C/Cl)nn2)C1 ZINC001105240751 741529145 /nfs/dbraw/zinc/52/91/45/741529145.db2.gz ZWCNIBAWNTYYLJ-ITKZLYELSA-N 1 2 337.811 0.542 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(C)nc3CC)C2)nn1 ZINC001105265835 741602571 /nfs/dbraw/zinc/60/25/71/741602571.db2.gz JVJOCOGZUJAYML-UHFFFAOYSA-N 1 2 341.419 0.384 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)C3CCC3)C2)nn1 ZINC001105266025 741602697 /nfs/dbraw/zinc/60/26/97/741602697.db2.gz MIWPOKSWESXUBD-CQSZACIVSA-N 1 2 345.447 0.837 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)C3(C4CC4)CC3)C2)nn1 ZINC001105266391 741603765 /nfs/dbraw/zinc/60/37/65/741603765.db2.gz VECZKLUJWFUCOV-UHFFFAOYSA-N 1 2 343.431 0.591 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3cn4ccccc4n3)C2)nn1 ZINC001105270573 741616862 /nfs/dbraw/zinc/61/68/62/741616862.db2.gz CIWVMTCALNIWHC-UHFFFAOYSA-N 1 2 349.398 0.275 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc4ccccn34)C2)nn1 ZINC001105275239 741621368 /nfs/dbraw/zinc/62/13/68/741621368.db2.gz HSUXPYJEMCWBBT-UHFFFAOYSA-N 1 2 335.371 0.346 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)c2[nH]c(=O)[nH]c2C)C1=O ZINC001038374167 741626123 /nfs/dbraw/zinc/62/61/23/741626123.db2.gz MSLGEYOSUNVRIE-VXGBXAGGSA-N 1 2 333.392 0.015 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)c2[nH]c(=O)[nH]c2C)C1=O ZINC001038374167 741626127 /nfs/dbraw/zinc/62/61/27/741626127.db2.gz MSLGEYOSUNVRIE-VXGBXAGGSA-N 1 2 333.392 0.015 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(COC)o3)C2)nn1 ZINC001105278658 741634202 /nfs/dbraw/zinc/63/42/02/741634202.db2.gz QCFKVSIIOFSHDQ-UHFFFAOYSA-N 1 2 329.360 0.437 20 30 ECEDLO N#CCNCc1cn(C2CN(C(=O)c3cccc4[nH+]ccn43)C2)nn1 ZINC001105280820 741636437 /nfs/dbraw/zinc/63/64/37/741636437.db2.gz FJXWNOCNXVSOJS-UHFFFAOYSA-N 1 2 336.359 0.236 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CC[C@@H](C4CC4)O3)C2)nn1 ZINC001105288135 741648524 /nfs/dbraw/zinc/64/85/24/741648524.db2.gz GAKITKRZBKYWPQ-IRXDYDNUSA-N 1 2 343.431 0.732 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CC[C@@H](C4CC4)O3)C2)nn1 ZINC001105288136 741648534 /nfs/dbraw/zinc/64/85/34/741648534.db2.gz GAKITKRZBKYWPQ-SJORKVTESA-N 1 2 343.431 0.732 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccc4cn[nH]c43)C2)nn1 ZINC001105297144 741674350 /nfs/dbraw/zinc/67/43/50/741674350.db2.gz IIRMRQRBUQVOFY-UHFFFAOYSA-N 1 2 349.398 0.964 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccc4c[nH]nc43)C2)nn1 ZINC001105297144 741674352 /nfs/dbraw/zinc/67/43/52/741674352.db2.gz IIRMRQRBUQVOFY-UHFFFAOYSA-N 1 2 349.398 0.964 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC(n2cc(C[NH2+]CC(=O)NCC)nn2)C1 ZINC001105305673 741700650 /nfs/dbraw/zinc/70/06/50/741700650.db2.gz LZIJCJPKPQWSOH-OLZOCXBDSA-N 1 2 348.451 0.345 20 30 ECEDLO CC#CCCCC(=O)N1CC(n2cc(C[NH2+][C@@H](CC)C(N)=O)nn2)C1 ZINC001105308357 741709726 /nfs/dbraw/zinc/70/97/26/741709726.db2.gz MTIRHWRAPRYWLB-HNNXBMFYSA-N 1 2 346.435 0.209 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C)nc(OC)c3)C2)nn1 ZINC001105314173 741734601 /nfs/dbraw/zinc/73/46/01/741734601.db2.gz NNWPTQQGWIAAMK-UHFFFAOYSA-N 1 2 340.387 0.410 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc4n[nH]cc4c3)C2)nn1 ZINC001105314201 741734603 /nfs/dbraw/zinc/73/46/03/741734603.db2.gz OCWHJKXSMAOGKQ-UHFFFAOYSA-N 1 2 335.371 0.574 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc4n[nH]cc4c3)C2)nn1 ZINC001105314558 741737229 /nfs/dbraw/zinc/73/72/29/741737229.db2.gz WJIMIISJYQUKQK-UHFFFAOYSA-N 1 2 349.398 0.964 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CC(n2cc(C[NH2+]CC(=O)NCC)nn2)C1 ZINC001105322437 741781391 /nfs/dbraw/zinc/78/13/91/741781391.db2.gz PLTJIRLAUNNCOO-QGZVFWFLSA-N 1 2 348.451 0.489 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C3(CF)CCOCC3)C2)nn1 ZINC001105326681 741809156 /nfs/dbraw/zinc/80/91/56/741809156.db2.gz BQFNNFHVVSWDNS-UHFFFAOYSA-N 1 2 349.410 0.541 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)C(C)(C)C1 ZINC000974650194 741969376 /nfs/dbraw/zinc/96/93/76/741969376.db2.gz AWBPKXFOLPLLIN-GFCCVEGCSA-N 1 2 349.884 0.601 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CN2CCCS2(=O)=O)C(C)(C)C1 ZINC000974650194 741969380 /nfs/dbraw/zinc/96/93/80/741969380.db2.gz AWBPKXFOLPLLIN-GFCCVEGCSA-N 1 2 349.884 0.601 20 30 ECEDLO CC(F)(F)C(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001083304004 742026489 /nfs/dbraw/zinc/02/64/89/742026489.db2.gz BMZRLPZEXZZHNX-KGLIPLIRSA-N 1 2 339.342 0.905 20 30 ECEDLO CC(F)(F)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001083304004 742026492 /nfs/dbraw/zinc/02/64/92/742026492.db2.gz BMZRLPZEXZZHNX-KGLIPLIRSA-N 1 2 339.342 0.905 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CN2CCOCC2=O)C(C)(C)C1 ZINC000974695503 742041108 /nfs/dbraw/zinc/04/11/08/742041108.db2.gz FWLYASKVYWPXDF-LBPRGKRZSA-N 1 2 329.828 0.424 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CN2CCOCC2=O)C(C)(C)C1 ZINC000974695503 742041112 /nfs/dbraw/zinc/04/11/12/742041112.db2.gz FWLYASKVYWPXDF-LBPRGKRZSA-N 1 2 329.828 0.424 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC(n2cc(C[NH2+]CC(=O)NCC)nn2)C1 ZINC001105334838 742098362 /nfs/dbraw/zinc/09/83/62/742098362.db2.gz NLAUPQGYLZUCLY-UHFFFAOYSA-N 1 2 348.451 0.489 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@]2(C)C[N@H+](Cc3nnnn3C3CC3)C[C@]2(C)C1 ZINC000982237136 751747875 /nfs/dbraw/zinc/74/78/75/751747875.db2.gz WUAWWAGVWLCAHA-JLZZUVOBSA-N 1 2 343.435 0.838 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@]2(C)C[N@@H+](Cc3nnnn3C3CC3)C[C@]2(C)C1 ZINC000982237136 751747880 /nfs/dbraw/zinc/74/78/80/751747880.db2.gz WUAWWAGVWLCAHA-JLZZUVOBSA-N 1 2 343.435 0.838 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)CCc3[nH+]ccn3C)C2)nc1 ZINC000997087287 743214263 /nfs/dbraw/zinc/21/42/63/743214263.db2.gz HAVYMRGMDUTZBM-UHFFFAOYSA-N 1 2 337.383 0.370 20 30 ECEDLO C=CCCOCC(=O)NCC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001059866620 751806776 /nfs/dbraw/zinc/80/67/76/751806776.db2.gz DODWELDTPHLNDZ-OAHLLOKOSA-N 1 2 334.420 0.831 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC000983551550 743430006 /nfs/dbraw/zinc/43/00/06/743430006.db2.gz AYMLXAPAHFKUDI-UONOGXRCSA-N 1 2 340.387 0.940 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000998094995 743975390 /nfs/dbraw/zinc/97/53/90/743975390.db2.gz CALLWKYMNDDVMZ-IUODEOHRSA-N 1 2 334.420 0.116 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000998094995 743975392 /nfs/dbraw/zinc/97/53/92/743975392.db2.gz CALLWKYMNDDVMZ-IUODEOHRSA-N 1 2 334.420 0.116 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)Cn2cc[nH+]c2)c[nH]1 ZINC000976560625 744090681 /nfs/dbraw/zinc/09/06/81/744090681.db2.gz SKVITMRWZZECHD-HUUCEWRRSA-N 1 2 340.387 0.940 20 30 ECEDLO C#CC[NH2+][C@H]1CN(C(=O)C2=NC(=O)N(C)C2)CC[C@@H]1C(F)(F)F ZINC000998297641 744105323 /nfs/dbraw/zinc/10/53/23/744105323.db2.gz VJHGXVNZHNJSTR-UWVGGRQHSA-N 1 2 330.310 0.742 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)COC3CCCC3)C2)nn1 ZINC001098625804 744589347 /nfs/dbraw/zinc/58/93/47/744589347.db2.gz IOKHBTNGUCWQKC-HNNXBMFYSA-N 1 2 331.420 0.734 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2[nH]cc[nH+]2)nc1 ZINC000977052457 744619191 /nfs/dbraw/zinc/61/91/91/744619191.db2.gz NVRXITCMWAJPID-LAQFHYBYSA-N 1 2 335.367 0.215 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C2 ZINC000999737224 744878298 /nfs/dbraw/zinc/87/82/98/744878298.db2.gz HNMGQSWYMBEXSG-MRLBHPIUSA-N 1 2 344.415 0.791 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C(C)(C)C1 ZINC000977472605 745063461 /nfs/dbraw/zinc/06/34/61/745063461.db2.gz WCMSNGJUWWIHCH-NSHDSACASA-N 1 2 342.827 0.460 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C(C)(C)C1 ZINC000977472605 745063464 /nfs/dbraw/zinc/06/34/64/745063464.db2.gz WCMSNGJUWWIHCH-NSHDSACASA-N 1 2 342.827 0.460 20 30 ECEDLO CN(CCCN(C)c1cnc(C#N)cn1)C(=O)CCn1cc[nH+]c1 ZINC001112148881 745097045 /nfs/dbraw/zinc/09/70/45/745097045.db2.gz GFYUREPKKOXKMS-UHFFFAOYSA-N 1 2 327.392 0.920 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cc(C)n(C)n3)C2)nn1 ZINC001098626432 745157051 /nfs/dbraw/zinc/15/70/51/745157051.db2.gz RALSUGATKPQJKO-AWEZNQCLSA-N 1 2 327.392 0.130 20 30 ECEDLO CN(C[C@H]1CCN1C(=O)Cc1[nH]cc[nH+]1)C(=O)c1c[nH]c(C#N)c1 ZINC000977585291 745245705 /nfs/dbraw/zinc/24/57/05/745245705.db2.gz PKPJVQJLENZBJS-CYBMUJFWSA-N 1 2 326.360 0.525 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H]1CC ZINC001087496698 745253767 /nfs/dbraw/zinc/25/37/67/745253767.db2.gz IWNQKLBCEMXURS-WDEREUQCSA-N 1 2 343.229 0.551 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H]1CC ZINC001087496698 745253771 /nfs/dbraw/zinc/25/37/71/745253771.db2.gz IWNQKLBCEMXURS-WDEREUQCSA-N 1 2 343.229 0.551 20 30 ECEDLO C=CCn1cc(C(=O)N(C)C[C@@H]2CCN2C(=O)Cn2cc[nH+]c2)nn1 ZINC000977730687 745448494 /nfs/dbraw/zinc/44/84/94/745448494.db2.gz IMJWIGSWHKBKQE-ZDUSSCGKSA-N 1 2 343.391 0.034 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3cnns3)[C@H]2CC)C1=O ZINC001087511373 745542006 /nfs/dbraw/zinc/54/20/06/745542006.db2.gz MMTUNAFWFOMEGI-XQQFMLRXSA-N 1 2 349.460 0.908 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3cnns3)[C@H]2CC)C1=O ZINC001087511373 745542010 /nfs/dbraw/zinc/54/20/10/745542010.db2.gz MMTUNAFWFOMEGI-XQQFMLRXSA-N 1 2 349.460 0.908 20 30 ECEDLO Cc1nsc(C)c1C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001083414823 745543741 /nfs/dbraw/zinc/54/37/41/745543741.db2.gz XIHJPLWQLWCJEJ-CABCVRRESA-N 1 2 345.428 0.935 20 30 ECEDLO Cc1nsc(C)c1C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001083414823 745543743 /nfs/dbraw/zinc/54/37/43/745543743.db2.gz XIHJPLWQLWCJEJ-CABCVRRESA-N 1 2 345.428 0.935 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCSCC)[C@H](OC)C1 ZINC001211929190 752029443 /nfs/dbraw/zinc/02/94/43/752029443.db2.gz DAROTOGTTYNBBD-CHWSQXEVSA-N 1 2 329.466 0.247 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCSCC)[C@H](OC)C1 ZINC001211929190 752029451 /nfs/dbraw/zinc/02/94/51/752029451.db2.gz DAROTOGTTYNBBD-CHWSQXEVSA-N 1 2 329.466 0.247 20 30 ECEDLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000984120319 745854949 /nfs/dbraw/zinc/85/49/49/745854949.db2.gz ZRUVMOQYSHBETI-HNNXBMFYSA-N 1 2 340.387 0.915 20 30 ECEDLO CC#CCCCC(=O)N1CC[C@@H](n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001098703537 746015576 /nfs/dbraw/zinc/01/55/76/746015576.db2.gz VCOOVHWFSVRYLQ-UKRRQHHQSA-N 1 2 346.435 0.209 20 30 ECEDLO N#CCN1CC=C(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001001077425 746052205 /nfs/dbraw/zinc/05/22/05/746052205.db2.gz VSJGYIBTRUUHSU-QGZVFWFLSA-N 1 2 332.448 0.902 20 30 ECEDLO N#CCN1CC=C(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001001077425 746052212 /nfs/dbraw/zinc/05/22/12/746052212.db2.gz VSJGYIBTRUUHSU-QGZVFWFLSA-N 1 2 332.448 0.902 20 30 ECEDLO Cn1nnnc1C[NH+]1CCC(CNC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001001330484 746283231 /nfs/dbraw/zinc/28/32/31/746283231.db2.gz MVSTWJJPDZTQBQ-UHFFFAOYSA-N 1 2 328.380 0.052 20 30 ECEDLO C[C@@H](CC(=O)N1CC(CNC(=O)c2ccc(C#N)[nH]2)C1)n1cc[nH+]c1 ZINC001001484853 746423492 /nfs/dbraw/zinc/42/34/92/746423492.db2.gz PNJWPJOTIHMSKN-LBPRGKRZSA-N 1 2 340.387 0.922 20 30 ECEDLO Cc1nnc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)[nH]1 ZINC001087938961 746688494 /nfs/dbraw/zinc/68/84/94/746688494.db2.gz TULZHTWFLBHCQI-OLZOCXBDSA-N 1 2 339.403 0.907 20 30 ECEDLO Cc1nnc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]3C2)[nH]1 ZINC001087938961 746688497 /nfs/dbraw/zinc/68/84/97/746688497.db2.gz TULZHTWFLBHCQI-OLZOCXBDSA-N 1 2 339.403 0.907 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+]([C@H](C)c2nnnn2C)CC1 ZINC001001851376 746768094 /nfs/dbraw/zinc/76/80/94/746768094.db2.gz KPWSNXNDUIGOAZ-YUELXQCFSA-N 1 2 348.451 0.690 20 30 ECEDLO CCC1(C(=O)N2CC[C@H](n3cc(C[NH2+]CC#CCOC)nn3)C2)CC1 ZINC001098711872 746779806 /nfs/dbraw/zinc/77/98/06/746779806.db2.gz YIGWXVOCZAHHDS-INIZCTEOSA-N 1 2 345.447 0.981 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3ccoc3CC)[C@@H](O)C2)C1=O ZINC001083437188 752128092 /nfs/dbraw/zinc/12/80/92/752128092.db2.gz FOTAYWJGENWFQW-KFWWJZLASA-N 1 2 347.415 0.404 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3ccoc3CC)[C@@H](O)C2)C1=O ZINC001083437188 752128099 /nfs/dbraw/zinc/12/80/99/752128099.db2.gz FOTAYWJGENWFQW-KFWWJZLASA-N 1 2 347.415 0.404 20 30 ECEDLO Cc1c[nH+]c2cc(C(=O)NCC3CN(C(=O)[C@H](C)C#N)C3)ccn12 ZINC001002065083 746942506 /nfs/dbraw/zinc/94/25/06/746942506.db2.gz ABNZZJPRZKAGOG-LLVKDONJSA-N 1 2 325.372 0.991 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]c[nH]2)[nH]1 ZINC001002086178 746963179 /nfs/dbraw/zinc/96/31/79/746963179.db2.gz QHQFCTGARYJSBA-YUELXQCFSA-N 1 2 338.371 0.714 20 30 ECEDLO CCCC[C@@H](C(N)=O)[N@@H+]1C[C@@H](NC(=O)CSCC#N)[C@H](OC)C1 ZINC001211888688 747127035 /nfs/dbraw/zinc/12/70/35/747127035.db2.gz JQMFELNCRYQLKX-FRRDWIJNSA-N 1 2 342.465 0.103 20 30 ECEDLO CCCC[C@@H](C(N)=O)[N@H+]1C[C@@H](NC(=O)CSCC#N)[C@H](OC)C1 ZINC001211888688 747127037 /nfs/dbraw/zinc/12/70/37/747127037.db2.gz JQMFELNCRYQLKX-FRRDWIJNSA-N 1 2 342.465 0.103 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1CC ZINC000985065409 747313440 /nfs/dbraw/zinc/31/34/40/747313440.db2.gz RDAJBRJVUZUYJH-QXSJWSMHSA-N 1 2 346.431 0.970 20 30 ECEDLO C=CCNC(=O)NC(C)(C)C(=O)N(C)CCN(C)c1cc[nH+]c(C)n1 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/nfs/dbraw/zinc/67/37/12/752673712.db2.gz YXIJXVHAIYYUND-NOLJZWGESA-N 1 2 332.404 0.651 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001007634522 752679920 /nfs/dbraw/zinc/67/99/20/752679920.db2.gz FQYYFGQICLQLNU-GUYCJALGSA-N 1 2 345.403 0.332 20 30 ECEDLO C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001075920188 752682087 /nfs/dbraw/zinc/68/20/87/752682087.db2.gz TZKJYXZZWHNSGL-KBPBESRZSA-N 1 2 334.420 0.659 20 30 ECEDLO CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](OC)C1 ZINC001212081704 752714980 /nfs/dbraw/zinc/71/49/80/752714980.db2.gz SNTOUMKMEDXKAV-KCPJHIHWSA-N 1 2 347.419 0.230 20 30 ECEDLO CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](OC)C1 ZINC001212081704 752714985 /nfs/dbraw/zinc/71/49/85/752714985.db2.gz SNTOUMKMEDXKAV-KCPJHIHWSA-N 1 2 347.419 0.230 20 30 ECEDLO C/C=C(\C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)CCC#N)C[C@H]1OC ZINC001212094817 752722826 /nfs/dbraw/zinc/72/28/26/752722826.db2.gz HHZMFUGQEAJVOD-HMBIXPHWSA-N 1 2 336.436 0.530 20 30 ECEDLO C/C=C(\C)C(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)CCC#N)C[C@H]1OC ZINC001212094817 752722830 /nfs/dbraw/zinc/72/28/30/752722830.db2.gz HHZMFUGQEAJVOD-HMBIXPHWSA-N 1 2 336.436 0.530 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)/C=C\c2ccco2)[C@H](OC)C1 ZINC001211788822 752750916 /nfs/dbraw/zinc/75/09/16/752750916.db2.gz ZXMLHVBZYFQPLF-IBVSFMJSSA-N 1 2 347.415 0.799 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)/C=C\c2ccco2)[C@H](OC)C1 ZINC001211788822 752750920 /nfs/dbraw/zinc/75/09/20/752750920.db2.gz ZXMLHVBZYFQPLF-IBVSFMJSSA-N 1 2 347.415 0.799 20 30 ECEDLO COCc1noc(C[N@@H+]2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001028471302 752773327 /nfs/dbraw/zinc/77/33/27/752773327.db2.gz VXLUKKLVBICIDK-NSHDSACASA-N 1 2 344.375 0.668 20 30 ECEDLO COCc1noc(C[N@H+]2CC[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001028471302 752773334 /nfs/dbraw/zinc/77/33/34/752773334.db2.gz VXLUKKLVBICIDK-NSHDSACASA-N 1 2 344.375 0.668 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001007685402 752787649 /nfs/dbraw/zinc/78/76/49/752787649.db2.gz QXRSOWIFXJZSCC-WMLDXEAASA-N 1 2 345.403 0.263 20 30 ECEDLO N#Cc1cnccc1N[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001058995519 752795756 /nfs/dbraw/zinc/79/57/56/752795756.db2.gz KBAYURIFRDHEOG-HIFRSBDPSA-N 1 2 336.399 0.847 20 30 ECEDLO N#Cc1cncc(N[C@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)n1 ZINC001058995661 752807912 /nfs/dbraw/zinc/80/79/12/752807912.db2.gz QSUIBEOSZOSUGS-OLZOCXBDSA-N 1 2 337.387 0.820 20 30 ECEDLO N#Cc1cnccc1N[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001058995711 752808912 /nfs/dbraw/zinc/80/89/12/752808912.db2.gz SWYLBZZKQAHQSR-HIFRSBDPSA-N 1 2 336.399 0.847 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)n2)C[C@H]1OC ZINC001212178429 752846538 /nfs/dbraw/zinc/84/65/38/752846538.db2.gz WLXLJOSPKJZZIT-IIDMSEBBSA-N 1 2 349.431 0.733 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)n2)C[C@H]1OC ZINC001212178429 752846543 /nfs/dbraw/zinc/84/65/43/752846543.db2.gz WLXLJOSPKJZZIT-IIDMSEBBSA-N 1 2 349.431 0.733 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2csc([C@H]3CCCO3)n2)[C@@H](O)C1 ZINC001083460990 752891251 /nfs/dbraw/zinc/89/12/51/752891251.db2.gz IEPBABQNSGKSDZ-KWCYVHTRSA-N 1 2 335.429 0.793 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2csc([C@H]3CCCO3)n2)[C@@H](O)C1 ZINC001083460990 752891256 /nfs/dbraw/zinc/89/12/56/752891256.db2.gz IEPBABQNSGKSDZ-KWCYVHTRSA-N 1 2 335.429 0.793 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(F)cc(F)c3)C2)nn1 ZINC001105370203 753091111 /nfs/dbraw/zinc/09/11/11/753091111.db2.gz YIQHAUZIPMAELI-UHFFFAOYSA-N 1 2 331.326 0.976 20 30 ECEDLO C=CCn1cccc1C(=O)N1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC000988969837 753091301 /nfs/dbraw/zinc/09/13/01/753091301.db2.gz WUZSQGLAVRTUKA-OLZOCXBDSA-N 1 2 344.419 0.489 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2noc(-c3ccoc3)n2)C1 ZINC001051488206 762184802 /nfs/dbraw/zinc/18/48/02/762184802.db2.gz IPMZYVKZUKSGBM-WCQYABFASA-N 1 2 345.359 0.806 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000989055329 753192224 /nfs/dbraw/zinc/19/22/24/753192224.db2.gz ZAMNYCWTHCCFTN-RISCZKNCSA-N 1 2 340.387 0.582 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3c(C)ncn3C)C2)nn1 ZINC001098682798 753681135 /nfs/dbraw/zinc/68/11/35/753681135.db2.gz GYEVHSRHDDWCRN-CQSZACIVSA-N 1 2 327.392 0.130 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](NC(=O)C2=COCCC2)[C@@H](O)C1 ZINC001083366986 753695858 /nfs/dbraw/zinc/69/58/58/753695858.db2.gz JXSFTXVPZNOLRI-SJORKVTESA-N 1 2 327.384 0.914 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)C2=COCCC2)[C@@H](O)C1 ZINC001083366986 753695862 /nfs/dbraw/zinc/69/58/62/753695862.db2.gz JXSFTXVPZNOLRI-SJORKVTESA-N 1 2 327.384 0.914 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3nc(C)c(C)s3)C2)nn1 ZINC001105374106 753747235 /nfs/dbraw/zinc/74/72/35/753747235.db2.gz IEEPYIRJKIHKBJ-UHFFFAOYSA-N 1 2 330.417 0.771 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCCn3cccn3)C2)nn1 ZINC001105374158 753750121 /nfs/dbraw/zinc/75/01/21/753750121.db2.gz LNACLPCIERYDNG-UHFFFAOYSA-N 1 2 327.392 0.061 20 30 ECEDLO CC1(C)CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001008495654 753811846 /nfs/dbraw/zinc/81/18/46/753811846.db2.gz AUEUKTZIFRTWRB-CYBMUJFWSA-N 1 2 340.387 0.819 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C(C)=C3CCCC3)[C@@H](O)C2)C1=O ZINC001083400336 753838446 /nfs/dbraw/zinc/83/84/46/753838446.db2.gz JJAPQSHYOHZGNL-IKGGRYGDSA-N 1 2 347.459 0.825 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C(C)=C3CCCC3)[C@@H](O)C2)C1=O ZINC001083400336 753838449 /nfs/dbraw/zinc/83/84/49/753838449.db2.gz JJAPQSHYOHZGNL-IKGGRYGDSA-N 1 2 347.459 0.825 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cnnn2CC)C1 ZINC001008557640 753912658 /nfs/dbraw/zinc/91/26/58/753912658.db2.gz FYYHVDITRLUIIZ-BMFZPTHFSA-N 1 2 333.436 0.970 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cnnn2CC)C1 ZINC001008557640 753912664 /nfs/dbraw/zinc/91/26/64/753912664.db2.gz FYYHVDITRLUIIZ-BMFZPTHFSA-N 1 2 333.436 0.970 20 30 ECEDLO C=CCOc1cccnc1C(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC000989446611 753935791 /nfs/dbraw/zinc/93/57/91/753935791.db2.gz VTHQFCRVCVYBJD-CYBMUJFWSA-N 1 2 332.404 0.668 20 30 ECEDLO C=CCOc1cccnc1C(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC000989446611 753935800 /nfs/dbraw/zinc/93/58/00/753935800.db2.gz VTHQFCRVCVYBJD-CYBMUJFWSA-N 1 2 332.404 0.668 20 30 ECEDLO Cc1nc(NCc2cn([C@@H]3CCN(C(=O)[C@@H](C)C#N)C3)nn2)cc[nH+]1 ZINC001051519604 762268060 /nfs/dbraw/zinc/26/80/60/762268060.db2.gz XWCUDQNANIJXBD-SMDDNHRTSA-N 1 2 340.391 0.922 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)[C@@H]2C1 ZINC001075944579 754119543 /nfs/dbraw/zinc/11/95/43/754119543.db2.gz GEWQLDWAWGKJEU-DZGCQCFKSA-N 1 2 336.457 0.367 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)[C@@H]2C1 ZINC001075944579 754119549 /nfs/dbraw/zinc/11/95/49/754119549.db2.gz GEWQLDWAWGKJEU-DZGCQCFKSA-N 1 2 336.457 0.367 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(C)ncn3)C2)nn1 ZINC001008794493 754125634 /nfs/dbraw/zinc/12/56/34/754125634.db2.gz MLRYWVUBMNDTHX-AWEZNQCLSA-N 1 2 341.419 0.957 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(C)ncn3)C2)nn1 ZINC001008794493 754125636 /nfs/dbraw/zinc/12/56/36/754125636.db2.gz MLRYWVUBMNDTHX-AWEZNQCLSA-N 1 2 341.419 0.957 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@@H+]([C@H](CC)C(N)=O)C2)nn1 ZINC001008826898 754165952 /nfs/dbraw/zinc/16/59/52/754165952.db2.gz VQYOEWMORMAGJO-TZMCWYRMSA-N 1 2 334.424 0.312 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@H](CC)C(N)=O)C2)nn1 ZINC001008826898 754165955 /nfs/dbraw/zinc/16/59/55/754165955.db2.gz VQYOEWMORMAGJO-TZMCWYRMSA-N 1 2 334.424 0.312 20 30 ECEDLO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001008894682 754274430 /nfs/dbraw/zinc/27/44/30/754274430.db2.gz YAMCLDDLQLZHPN-LBPRGKRZSA-N 1 2 330.392 0.228 20 30 ECEDLO C=C(C)C[N@H+]1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001008894682 754274435 /nfs/dbraw/zinc/27/44/35/754274435.db2.gz YAMCLDDLQLZHPN-LBPRGKRZSA-N 1 2 330.392 0.228 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000983013273 754429145 /nfs/dbraw/zinc/42/91/45/754429145.db2.gz QTOZMWVEBBJMTO-GFCCVEGCSA-N 1 2 340.387 0.441 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001009124721 754556371 /nfs/dbraw/zinc/55/63/71/754556371.db2.gz REYOFCIQRQTGDZ-KBPBESRZSA-N 1 2 346.431 0.975 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001009124721 754556374 /nfs/dbraw/zinc/55/63/74/754556374.db2.gz REYOFCIQRQTGDZ-KBPBESRZSA-N 1 2 346.431 0.975 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N(C)C3CC3)C2)cn1 ZINC001009267666 754724288 /nfs/dbraw/zinc/72/42/88/754724288.db2.gz DCKNMGZEOWKZGN-INIZCTEOSA-N 1 2 340.427 0.878 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N(C)C3CC3)C2)cn1 ZINC001009267666 754724292 /nfs/dbraw/zinc/72/42/92/754724292.db2.gz DCKNMGZEOWKZGN-INIZCTEOSA-N 1 2 340.427 0.878 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000983179382 754791803 /nfs/dbraw/zinc/79/18/03/754791803.db2.gz HIAXMYKRFAAFJZ-LLVKDONJSA-N 1 2 326.360 0.430 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000983184188 754806150 /nfs/dbraw/zinc/80/61/50/754806150.db2.gz MACOJIJXJDXXCR-MJBXVCDLSA-N 1 2 332.404 0.508 20 30 ECEDLO Cc1nnc([C@H](C)[NH2+]C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)o1 ZINC001051562291 762343743 /nfs/dbraw/zinc/34/37/43/762343743.db2.gz GZRBDIMJFPPAEL-HZMBPMFUSA-N 1 2 344.375 0.770 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC([NH2+]Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000990262502 754905280 /nfs/dbraw/zinc/90/52/80/754905280.db2.gz QANBZSAKWSRWFW-NSHDSACASA-N 1 2 328.376 0.263 20 30 ECEDLO Cn1cnnc1C[N@@H+]1CC[C@@]2(NC(=O)c3c[nH]c(C#N)c3)CCC[C@H]12 ZINC000990268052 754910761 /nfs/dbraw/zinc/91/07/61/754910761.db2.gz UXXCSRDUYPIACT-YOEHRIQHSA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1cnnc1C[N@H+]1CC[C@@]2(NC(=O)c3c[nH]c(C#N)c3)CCC[C@H]12 ZINC000990268052 754910769 /nfs/dbraw/zinc/91/07/69/754910769.db2.gz UXXCSRDUYPIACT-YOEHRIQHSA-N 1 2 339.403 0.942 20 30 ECEDLO Cc1noc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)n1 ZINC001051562959 762345961 /nfs/dbraw/zinc/34/59/61/762345961.db2.gz MGAKOMBVSVQOAU-QMTHXVAHSA-N 1 2 344.375 0.770 20 30 ECEDLO Cn1cc(C[N@@H+]2CC[C@@]3(NC(=O)c4c[nH]c(C#N)c4)CCC[C@H]23)nn1 ZINC000990288451 754925811 /nfs/dbraw/zinc/92/58/11/754925811.db2.gz LNDIBCGGBSZXBG-RDJZCZTQSA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1cc(C[N@H+]2CC[C@@]3(NC(=O)c4c[nH]c(C#N)c4)CCC[C@H]23)nn1 ZINC000990288451 754925814 /nfs/dbraw/zinc/92/58/14/754925814.db2.gz LNDIBCGGBSZXBG-RDJZCZTQSA-N 1 2 339.403 0.942 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001009498060 754951501 /nfs/dbraw/zinc/95/15/01/754951501.db2.gz SMBOLFQJNLNTTN-JTQLQIEISA-N 1 2 326.784 0.433 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001009498060 754951505 /nfs/dbraw/zinc/95/15/05/754951505.db2.gz SMBOLFQJNLNTTN-JTQLQIEISA-N 1 2 326.784 0.433 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+]([C@@H](C)c3nnc(C)[nH]3)C2)nn1 ZINC001028850967 755308117 /nfs/dbraw/zinc/30/81/17/755308117.db2.gz CLPPILPJQKOSCP-WCQYABFASA-N 1 2 344.423 0.704 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+]([C@@H](C)c3nnc(C)[nH]3)C2)nn1 ZINC001028850967 755308121 /nfs/dbraw/zinc/30/81/21/755308121.db2.gz CLPPILPJQKOSCP-WCQYABFASA-N 1 2 344.423 0.704 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C(=O)C(C)(C)C ZINC001075970976 755521119 /nfs/dbraw/zinc/52/11/19/755521119.db2.gz LEXZJBRWRMUUIV-KBPBESRZSA-N 1 2 335.448 0.710 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)C(=O)C(C)(C)C ZINC001075970976 755521121 /nfs/dbraw/zinc/52/11/21/755521121.db2.gz LEXZJBRWRMUUIV-KBPBESRZSA-N 1 2 335.448 0.710 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)c1 ZINC000990714310 755720675 /nfs/dbraw/zinc/72/06/75/755720675.db2.gz ZYWJVCZAAFODCV-LBPRGKRZSA-N 1 2 338.371 0.670 20 30 ECEDLO C[C@@H]1C[C@H](CNC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cn1cc[nH+]c1 ZINC001010206673 755811723 /nfs/dbraw/zinc/81/17/23/755811723.db2.gz NEFQIIBRZYNXKT-CHWSQXEVSA-N 1 2 340.387 0.750 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001083525981 755918836 /nfs/dbraw/zinc/91/88/36/755918836.db2.gz WEHDATABLQRXRS-ZBFHGGJFSA-N 1 2 346.431 0.071 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@@H]1O ZINC001083525981 755918840 /nfs/dbraw/zinc/91/88/40/755918840.db2.gz WEHDATABLQRXRS-ZBFHGGJFSA-N 1 2 346.431 0.071 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2nccnc2C)C[C@@H]1O ZINC001083526491 755923700 /nfs/dbraw/zinc/92/37/00/755923700.db2.gz UYOLLOZKCWICIZ-WBVHZDCISA-N 1 2 341.415 0.748 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@@H]1O ZINC001083526491 755923704 /nfs/dbraw/zinc/92/37/04/755923704.db2.gz UYOLLOZKCWICIZ-WBVHZDCISA-N 1 2 341.415 0.748 20 30 ECEDLO C[C@@H]1C[C@H](CNC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001010283417 755939321 /nfs/dbraw/zinc/93/93/21/755939321.db2.gz ZKPRLWOKKANWOV-VXGBXAGGSA-N 1 2 340.387 0.819 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cc(C)ns2)C[C@@H]1O ZINC001083535811 755976218 /nfs/dbraw/zinc/97/62/18/755976218.db2.gz NJRXPGHYCUTACR-PMPSAXMXSA-N 1 2 348.472 0.210 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cc(C)ns2)C[C@@H]1O ZINC001083535811 755976222 /nfs/dbraw/zinc/97/62/22/755976222.db2.gz NJRXPGHYCUTACR-PMPSAXMXSA-N 1 2 348.472 0.210 20 30 ECEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3F)C2)C1 ZINC001010429211 756128391 /nfs/dbraw/zinc/12/83/91/756128391.db2.gz SABXHXZSWIBFBB-WBVHZDCISA-N 1 2 346.406 0.718 20 30 ECEDLO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3F)C2)C1 ZINC001010429211 756128394 /nfs/dbraw/zinc/12/83/94/756128394.db2.gz SABXHXZSWIBFBB-WBVHZDCISA-N 1 2 346.406 0.718 20 30 ECEDLO C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)NC(=O)CCc1[nH+]ccn1C ZINC001076177994 756177896 /nfs/dbraw/zinc/17/78/96/756177896.db2.gz XZLXKPRWUOYVCW-LBPRGKRZSA-N 1 2 342.403 0.877 20 30 ECEDLO CCc1nnc([C@@H](C)[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCO2)o1 ZINC001051609490 762459536 /nfs/dbraw/zinc/45/95/36/762459536.db2.gz UINMVGCLSAPQFH-OCCSQVGLSA-N 1 2 332.404 0.923 20 30 ECEDLO C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001010634214 756330799 /nfs/dbraw/zinc/33/07/99/756330799.db2.gz AOFAPNTZMUOQRL-ZFWWWQNUSA-N 1 2 343.431 0.949 20 30 ECEDLO C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001010634214 756330804 /nfs/dbraw/zinc/33/08/04/756330804.db2.gz AOFAPNTZMUOQRL-ZFWWWQNUSA-N 1 2 343.431 0.949 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010691419 756403701 /nfs/dbraw/zinc/40/37/01/756403701.db2.gz LBUHGHZMNKXMKZ-NVXWUHKLSA-N 1 2 346.406 0.718 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010691419 756403703 /nfs/dbraw/zinc/40/37/03/756403703.db2.gz LBUHGHZMNKXMKZ-NVXWUHKLSA-N 1 2 346.406 0.718 20 30 ECEDLO Cn1nncc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010828598 756576181 /nfs/dbraw/zinc/57/61/81/756576181.db2.gz INHZTQPQUMPWSE-ZDUSSCGKSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1nncc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001010828598 756576183 /nfs/dbraw/zinc/57/61/83/756576183.db2.gz INHZTQPQUMPWSE-ZDUSSCGKSA-N 1 2 328.351 0.830 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCCC2(CN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001010831059 756578745 /nfs/dbraw/zinc/57/87/45/756578745.db2.gz RZIRRSVFUYIKLM-LBPRGKRZSA-N 1 2 329.404 0.871 20 30 ECEDLO N#Cc1cnc(NC[C@H](O)CNC(=O)CCCn2cc[nH+]c2)c(F)c1 ZINC001105893376 762487550 /nfs/dbraw/zinc/48/75/50/762487550.db2.gz AUUAOEOZQMJHSM-CYBMUJFWSA-N 1 2 346.366 0.658 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001011025968 756786648 /nfs/dbraw/zinc/78/66/48/756786648.db2.gz KREKLIUIFSVADO-UHFFFAOYSA-N 1 2 326.360 0.147 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)F)C2)cc1C#N ZINC001076676469 756821184 /nfs/dbraw/zinc/82/11/84/756821184.db2.gz ZPAVDQHVLMHDPX-ZIAGYGMSSA-N 1 2 335.379 0.976 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C(C)(C)F)C2)cc1C#N ZINC001076676469 756821192 /nfs/dbraw/zinc/82/11/92/756821192.db2.gz ZPAVDQHVLMHDPX-ZIAGYGMSSA-N 1 2 335.379 0.976 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(F)cc3)C2)C1=O ZINC001076679656 756834294 /nfs/dbraw/zinc/83/42/94/756834294.db2.gz IJYGDYUMRXUQNZ-BZUAXINKSA-N 1 2 347.390 0.388 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(F)cc3)C2)C1=O ZINC001076679656 756834301 /nfs/dbraw/zinc/83/43/01/756834301.db2.gz IJYGDYUMRXUQNZ-BZUAXINKSA-N 1 2 347.390 0.388 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccc3)C2)C1=O ZINC001076693330 756864013 /nfs/dbraw/zinc/86/40/13/756864013.db2.gz HWRUPPYTJSESHV-BZUAXINKSA-N 1 2 329.400 0.248 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccc3)C2)C1=O ZINC001076693330 756864020 /nfs/dbraw/zinc/86/40/20/756864020.db2.gz HWRUPPYTJSESHV-BZUAXINKSA-N 1 2 329.400 0.248 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3=COCCO3)C2)s1 ZINC001076700631 756877346 /nfs/dbraw/zinc/87/73/46/756877346.db2.gz NKNZYYIIHVRHLL-CHWSQXEVSA-N 1 2 335.385 0.169 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3=COCCO3)C2)s1 ZINC001076700631 756877351 /nfs/dbraw/zinc/87/73/51/756877351.db2.gz NKNZYYIIHVRHLL-CHWSQXEVSA-N 1 2 335.385 0.169 20 30 ECEDLO C[C@@H](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)NC(=O)CSCC#N ZINC001076710900 756898468 /nfs/dbraw/zinc/89/84/68/756898468.db2.gz VFABRTRVWMNKBA-RYUDHWBXSA-N 1 2 337.449 0.856 20 30 ECEDLO C[C@@H](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)NC(=O)CSCC#N ZINC001076710900 756898474 /nfs/dbraw/zinc/89/84/74/756898474.db2.gz VFABRTRVWMNKBA-RYUDHWBXSA-N 1 2 337.449 0.856 20 30 ECEDLO C[C@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)n1cccn1 ZINC001076763629 757012682 /nfs/dbraw/zinc/01/26/82/757012682.db2.gz ZKAMDSIVNUUBCM-KBAYOESNSA-N 1 2 338.411 0.657 20 30 ECEDLO C[C@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)n1cccn1 ZINC001076763629 757012693 /nfs/dbraw/zinc/01/26/93/757012693.db2.gz ZKAMDSIVNUUBCM-KBAYOESNSA-N 1 2 338.411 0.657 20 30 ECEDLO CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@@H]1O ZINC001048813831 757078894 /nfs/dbraw/zinc/07/88/94/757078894.db2.gz NJIKEZKZDMXPKN-BPUTZDHNSA-N 1 2 346.431 0.278 20 30 ECEDLO CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001048813831 757078902 /nfs/dbraw/zinc/07/89/02/757078902.db2.gz NJIKEZKZDMXPKN-BPUTZDHNSA-N 1 2 346.431 0.278 20 30 ECEDLO CC1(C)CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1NCC#N ZINC000996186644 757092279 /nfs/dbraw/zinc/09/22/79/757092279.db2.gz AMNZROFWZYCFBT-JKSUJKDBSA-N 1 2 334.464 0.980 20 30 ECEDLO CC1(C)CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@H]1NCC#N ZINC000996186644 757092285 /nfs/dbraw/zinc/09/22/85/757092285.db2.gz AMNZROFWZYCFBT-JKSUJKDBSA-N 1 2 334.464 0.980 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C=C3CCCCC3)C2)C1=O ZINC001076788444 757147904 /nfs/dbraw/zinc/14/79/04/757147904.db2.gz LKWLLGPLRCBBQM-BRWVUGGUSA-N 1 2 347.459 0.825 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C=C3CCCCC3)C2)C1=O ZINC001076788444 757147912 /nfs/dbraw/zinc/14/79/12/757147912.db2.gz LKWLLGPLRCBBQM-BRWVUGGUSA-N 1 2 347.459 0.825 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001011205273 757184888 /nfs/dbraw/zinc/18/48/88/757184888.db2.gz MLPUXZIZYLMSAY-CABCVRRESA-N 1 2 332.404 0.535 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1O)[C@H]1CCCOC1 ZINC001076794157 757193761 /nfs/dbraw/zinc/19/37/61/757193761.db2.gz UFSQTDIRDXRCBZ-CGTJXYLNSA-N 1 2 346.402 0.765 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1O)[C@H]1CCCOC1 ZINC001076794157 757193766 /nfs/dbraw/zinc/19/37/66/757193766.db2.gz UFSQTDIRDXRCBZ-CGTJXYLNSA-N 1 2 346.402 0.765 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCOC3)C2)cc1F ZINC001076794294 757195315 /nfs/dbraw/zinc/19/53/15/757195315.db2.gz WZKLOCBUSULULY-USXIJHARSA-N 1 2 347.390 0.785 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCOC3)C2)cc1F ZINC001076794294 757195318 /nfs/dbraw/zinc/19/53/18/757195318.db2.gz WZKLOCBUSULULY-USXIJHARSA-N 1 2 347.390 0.785 20 30 ECEDLO C=CCC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC001048866162 757226901 /nfs/dbraw/zinc/22/69/01/757226901.db2.gz KTVKXQKDPJVJBW-STQMWFEESA-N 1 2 334.420 0.585 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3ccns3)nn2)C1 ZINC001107176026 757253620 /nfs/dbraw/zinc/25/36/20/757253620.db2.gz ZIYAZZHEEHIBQH-UHFFFAOYSA-N 1 2 348.432 0.724 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCc3ccncn3)nn2)C1 ZINC001107176683 757256048 /nfs/dbraw/zinc/25/60/48/757256048.db2.gz IBZQCBJGWDFCQY-UHFFFAOYSA-N 1 2 327.392 0.360 20 30 ECEDLO C=C(C)CCC(=O)NCc1cn(C2C[NH+](C[C@@H](O)COC)C2)nn1 ZINC001107176722 757256313 /nfs/dbraw/zinc/25/63/13/757256313.db2.gz JUPJLTMWQQMYDZ-OAHLLOKOSA-N 1 2 337.424 0.115 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCc3ccn(C)n3)nn2)C1 ZINC001107176866 757258925 /nfs/dbraw/zinc/25/89/25/757258925.db2.gz QTWMEIOFFFYEAC-UHFFFAOYSA-N 1 2 329.408 0.303 20 30 ECEDLO O=C(C[C@@H]1CCOC1)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001076823462 757272564 /nfs/dbraw/zinc/27/25/64/757272564.db2.gz BWLQHLZLAXWRPX-CGTJXYLNSA-N 1 2 346.402 0.765 20 30 ECEDLO O=C(C[C@@H]1CCOC1)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001076823462 757272571 /nfs/dbraw/zinc/27/25/71/757272571.db2.gz BWLQHLZLAXWRPX-CGTJXYLNSA-N 1 2 346.402 0.765 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)COCc3cc(C)no3)nn2)C1 ZINC001107180341 757299274 /nfs/dbraw/zinc/29/92/74/757299274.db2.gz NIOQJVFHISSKDV-UHFFFAOYSA-N 1 2 346.391 0.450 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C[C@@H]3CCOC[C@H]3OC)nn2)C1 ZINC001107178106 757331108 /nfs/dbraw/zinc/33/11/08/757331108.db2.gz HMOQTDGLNYLXNU-XJKSGUPXSA-N 1 2 349.435 0.379 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@]3(C)CCO[C@@H]3C)nn2)C1 ZINC001107186959 757388010 /nfs/dbraw/zinc/38/80/10/757388010.db2.gz HREZEUQGGSRXGB-DYVFJYSZSA-N 1 2 331.420 0.589 20 30 ECEDLO C=CCn1cccc1C(=O)N1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001011281541 757396560 /nfs/dbraw/zinc/39/65/60/757396560.db2.gz APIDMLURZUCONI-UHFFFAOYSA-N 1 2 327.388 0.924 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)c1 ZINC001076855977 757399550 /nfs/dbraw/zinc/39/95/50/757399550.db2.gz VEMJGUBRBVNUPS-HUUCEWRRSA-N 1 2 341.396 0.795 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)c1 ZINC001076855977 757399555 /nfs/dbraw/zinc/39/95/55/757399555.db2.gz VEMJGUBRBVNUPS-HUUCEWRRSA-N 1 2 341.396 0.795 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)Cc3cc(C)nn3C)nn2)C1 ZINC001107184141 757415307 /nfs/dbraw/zinc/41/53/07/757415307.db2.gz FLTGBTFUHNNZBC-UHFFFAOYSA-N 1 2 343.435 0.612 20 30 ECEDLO C#CCCCCCC(=O)NCc1cn(C2C[NH+](CCOC)C2)nn1 ZINC001107192387 757464525 /nfs/dbraw/zinc/46/45/25/757464525.db2.gz JFQZQSXJQDWGAD-UHFFFAOYSA-N 1 2 333.436 0.981 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCN(C(=O)[C@H](C)C#N)CC1)C2 ZINC001011304878 757464396 /nfs/dbraw/zinc/46/43/96/757464396.db2.gz NZWNVVSVBVYAOU-YPMHNXCESA-N 1 2 329.404 0.654 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCN(C(=O)[C@H](C)C#N)CC1)CC2 ZINC001011304878 757464401 /nfs/dbraw/zinc/46/44/01/757464401.db2.gz NZWNVVSVBVYAOU-YPMHNXCESA-N 1 2 329.404 0.654 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)ncn1 ZINC001076894902 757503387 /nfs/dbraw/zinc/50/33/87/757503387.db2.gz VIBCWMGLWFDRBT-IAGOWNOFSA-N 1 2 337.383 0.632 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)ncn1 ZINC001076894902 757503396 /nfs/dbraw/zinc/50/33/96/757503396.db2.gz VIBCWMGLWFDRBT-IAGOWNOFSA-N 1 2 337.383 0.632 20 30 ECEDLO Cc1nsc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076898415 757516400 /nfs/dbraw/zinc/51/64/00/757516400.db2.gz HZUMTQYPPFVKOS-HUUCEWRRSA-N 1 2 345.428 0.935 20 30 ECEDLO Cc1nsc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001076898415 757516408 /nfs/dbraw/zinc/51/64/08/757516408.db2.gz HZUMTQYPPFVKOS-HUUCEWRRSA-N 1 2 345.428 0.935 20 30 ECEDLO N#CCN1C[C@@H]2CN(C(=O)[C@H]3COCC[N@@H+]3CC3CCC3)C[C@@H]2C1 ZINC001048960739 757524316 /nfs/dbraw/zinc/52/43/16/757524316.db2.gz KYFSGOZKTDRBEV-IXDOHACOSA-N 1 2 332.448 0.401 20 30 ECEDLO N#CCN1C[C@@H]2CN(C(=O)[C@H]3COCC[N@H+]3CC3CCC3)C[C@@H]2C1 ZINC001048960739 757524324 /nfs/dbraw/zinc/52/43/24/757524324.db2.gz KYFSGOZKTDRBEV-IXDOHACOSA-N 1 2 332.448 0.401 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)COc3cnn(C)c3)nn2)C1 ZINC001107199222 757584603 /nfs/dbraw/zinc/58/46/03/757584603.db2.gz FLRRUXYTPXORNA-UHFFFAOYSA-N 1 2 345.407 0.140 20 30 ECEDLO Cc1nc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)co1 ZINC001076917335 757588725 /nfs/dbraw/zinc/58/87/25/757588725.db2.gz XVWFMAMFKJNCRS-GDBMZVCRSA-N 1 2 326.356 0.830 20 30 ECEDLO Cc1nc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)co1 ZINC001076917335 757588734 /nfs/dbraw/zinc/58/87/34/757588734.db2.gz XVWFMAMFKJNCRS-GDBMZVCRSA-N 1 2 326.356 0.830 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001049000709 757654997 /nfs/dbraw/zinc/65/49/97/757654997.db2.gz UXQDAWWEMKQZJI-KBMXLJTQSA-N 1 2 348.447 0.975 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001049000709 757655002 /nfs/dbraw/zinc/65/50/02/757655002.db2.gz UXQDAWWEMKQZJI-KBMXLJTQSA-N 1 2 348.447 0.975 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001049035475 757751820 /nfs/dbraw/zinc/75/18/20/757751820.db2.gz VOBHCPIERZPYPG-KKUMJFAQSA-N 1 2 334.420 0.516 20 30 ECEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)CNC(C)=O)CC2)C1 ZINC001105685120 757761072 /nfs/dbraw/zinc/76/10/72/757761072.db2.gz UEKCARHFXYOUDH-UHFFFAOYSA-N 1 2 339.436 0.017 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCc3ncccn3)nn2)C1 ZINC001107221023 757857417 /nfs/dbraw/zinc/85/74/17/757857417.db2.gz CCQAKBBLBHHSSU-UHFFFAOYSA-N 1 2 327.392 0.360 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3ncccn3)nn2)C1 ZINC001107221118 757858280 /nfs/dbraw/zinc/85/82/80/757858280.db2.gz HGBPYKUILWJRBL-UHFFFAOYSA-N 1 2 343.391 0.057 20 30 ECEDLO CC#CCN1CC(n2cc(CNC(=O)CCc3c[nH+]cn3C)nn2)C1 ZINC001107234224 757977979 /nfs/dbraw/zinc/97/79/79/757977979.db2.gz XOCFREUSBZXNFS-UHFFFAOYSA-N 1 2 341.419 0.141 20 30 ECEDLO C=CC(C)(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001049111553 757988013 /nfs/dbraw/zinc/98/80/13/757988013.db2.gz MUQQANBCYNPWSA-GJZGRUSLSA-N 1 2 348.447 0.595 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](C)NC(=O)C3CCC3)nn2)C1 ZINC001107242041 757999546 /nfs/dbraw/zinc/99/95/46/757999546.db2.gz NPUPVVPZELNEES-LBPRGKRZSA-N 1 2 346.435 0.242 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CNC(=O)[C@H](C)CC)nn2)C1 ZINC001107235719 758023444 /nfs/dbraw/zinc/02/34/44/758023444.db2.gz JZNMEFJFLQLPRH-CYBMUJFWSA-N 1 2 348.451 0.489 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001021935616 758082836 /nfs/dbraw/zinc/08/28/36/758082836.db2.gz ZUWAEBPSPZPZGC-GOEBONIOSA-N 1 2 326.400 0.815 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001021935616 758082840 /nfs/dbraw/zinc/08/28/40/758082840.db2.gz ZUWAEBPSPZPZGC-GOEBONIOSA-N 1 2 326.400 0.815 20 30 ECEDLO Cc1cc(C#N)nc(NC/C=C/CNC(=O)Cc2c[nH+]cn2C)n1 ZINC001107262706 758092044 /nfs/dbraw/zinc/09/20/44/758092044.db2.gz FTWIJNVTFDLALH-ONEGZZNKSA-N 1 2 325.376 0.717 20 30 ECEDLO C=CC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1O ZINC001049176546 758228999 /nfs/dbraw/zinc/22/89/99/758228999.db2.gz SZFKHKAWWPEYLV-KBPBESRZSA-N 1 2 334.420 0.503 20 30 ECEDLO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC001049193564 758266473 /nfs/dbraw/zinc/26/64/73/758266473.db2.gz PLNHEJHQUGVPJS-HOTGVXAUSA-N 1 2 346.431 0.186 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)OCCCO3)C1 ZINC001077135169 758308241 /nfs/dbraw/zinc/30/82/41/758308241.db2.gz ZQOYOCLMFNBZHG-HUUCEWRRSA-N 1 2 330.384 0.646 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)OCCCO3)C1 ZINC001077135169 758308252 /nfs/dbraw/zinc/30/82/52/758308252.db2.gz ZQOYOCLMFNBZHG-HUUCEWRRSA-N 1 2 330.384 0.646 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)cn1 ZINC001022294758 758531777 /nfs/dbraw/zinc/53/17/77/758531777.db2.gz VBXLRKRFSVJGEA-GOEBONIOSA-N 1 2 349.394 0.702 20 30 ECEDLO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127772183 758547719 /nfs/dbraw/zinc/54/77/19/758547719.db2.gz DYYHOTKPADXUGH-SNVBAGLBSA-N 1 2 326.294 0.355 20 30 ECEDLO CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H](F)C(F)(F)F ZINC001127772183 758547725 /nfs/dbraw/zinc/54/77/25/758547725.db2.gz DYYHOTKPADXUGH-SNVBAGLBSA-N 1 2 326.294 0.355 20 30 ECEDLO C=CCCCC(=O)N(C)[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1O ZINC001049356501 758561840 /nfs/dbraw/zinc/56/18/40/758561840.db2.gz ZDIIFTQNAZZPQH-GJZGRUSLSA-N 1 2 348.447 0.739 20 30 ECEDLO O=C(Cn1ncnn1)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001014424205 762656097 /nfs/dbraw/zinc/65/60/97/762656097.db2.gz AHJMTZRDURDPMA-OAHLLOKOSA-N 1 2 328.351 0.054 20 30 ECEDLO O=C(Cn1ncnn1)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001014424205 762656102 /nfs/dbraw/zinc/65/61/02/762656102.db2.gz AHJMTZRDURDPMA-OAHLLOKOSA-N 1 2 328.351 0.054 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3ccc(F)cc3O2)C1 ZINC001077388062 758961132 /nfs/dbraw/zinc/96/11/32/758961132.db2.gz LCLVBKKDLVBWCZ-BZUAXINKSA-N 1 2 332.375 0.704 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3ccc(F)cc3O2)C1 ZINC001077388062 758961137 /nfs/dbraw/zinc/96/11/37/758961137.db2.gz LCLVBKKDLVBWCZ-BZUAXINKSA-N 1 2 332.375 0.704 20 30 ECEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H](CC)C(N)=O)C[C@@H]2O)cc1 ZINC001083578121 759045992 /nfs/dbraw/zinc/04/59/92/759045992.db2.gz VYFXSUQSBYHTOA-PMPSAXMXSA-N 1 2 347.415 0.290 20 30 ECEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H](CC)C(N)=O)C[C@@H]2O)cc1 ZINC001083578121 759045996 /nfs/dbraw/zinc/04/59/96/759045996.db2.gz VYFXSUQSBYHTOA-PMPSAXMXSA-N 1 2 347.415 0.290 20 30 ECEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC)C[C@@H]1O ZINC001083578326 759050912 /nfs/dbraw/zinc/05/09/12/759050912.db2.gz GRVZARFHKWTLBX-YUELXQCFSA-N 1 2 347.415 0.161 20 30 ECEDLO C=CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC)C[C@@H]1O ZINC001083578326 759050915 /nfs/dbraw/zinc/05/09/15/759050915.db2.gz GRVZARFHKWTLBX-YUELXQCFSA-N 1 2 347.415 0.161 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)c1 ZINC001022842655 759165824 /nfs/dbraw/zinc/16/58/24/759165824.db2.gz XZPZGPTZEYEAQJ-WMLDXEAASA-N 1 2 349.394 0.702 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C)cn1 ZINC001012099207 759403725 /nfs/dbraw/zinc/40/37/25/759403725.db2.gz CZKYXCJYUHCIQH-BLLLJJGKSA-N 1 2 337.383 0.748 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C)nc1 ZINC001012102716 759413903 /nfs/dbraw/zinc/41/39/03/759413903.db2.gz RINCREJGXVSWGC-SWLSCSKDSA-N 1 2 337.383 0.748 20 30 ECEDLO O=C(Cc1cnoc1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083720203 767861448 /nfs/dbraw/zinc/86/14/48/767861448.db2.gz QFYGTZDYWNFOBA-SJORKVTESA-N 1 2 325.368 0.430 20 30 ECEDLO O=C(Cc1cnoc1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083720203 767861455 /nfs/dbraw/zinc/86/14/55/767861455.db2.gz QFYGTZDYWNFOBA-SJORKVTESA-N 1 2 325.368 0.430 20 30 ECEDLO Cn1cc(C[N@@H+]2C[C@@H]3CCCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)nn1 ZINC001050025230 759565040 /nfs/dbraw/zinc/56/50/40/759565040.db2.gz UFKHFWHRBOKGST-BLLLJJGKSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1cc(C[N@H+]2C[C@@H]3CCCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)nn1 ZINC001050025230 759565046 /nfs/dbraw/zinc/56/50/46/759565046.db2.gz UFKHFWHRBOKGST-BLLLJJGKSA-N 1 2 339.403 0.751 20 30 ECEDLO C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001050097560 759695889 /nfs/dbraw/zinc/69/58/89/759695889.db2.gz JFDKHTAQPOJOIU-OLZOCXBDSA-N 1 2 349.460 0.573 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)CC1 ZINC001012331741 759730913 /nfs/dbraw/zinc/73/09/13/759730913.db2.gz YUNQRTQFVBVESB-OAHLLOKOSA-N 1 2 348.447 0.462 20 30 ECEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CN(C(C)=O)CCO3)cc2C1 ZINC001054291154 767898237 /nfs/dbraw/zinc/89/82/37/767898237.db2.gz XMRAQVFQIRYVMT-GOSISDBHSA-N 1 2 341.411 0.499 20 30 ECEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CN(C(C)=O)CCO3)cc2C1 ZINC001054291154 767898243 /nfs/dbraw/zinc/89/82/43/767898243.db2.gz XMRAQVFQIRYVMT-GOSISDBHSA-N 1 2 341.411 0.499 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](OCC)C3CC3)C2)nn1 ZINC001098672799 760002094 /nfs/dbraw/zinc/00/20/94/760002094.db2.gz JBZBNVZYYARVRW-IRXDYDNUSA-N 1 2 345.447 0.980 20 30 ECEDLO CC[C@@H]([NH2+]Cc1cn([C@@H]2CCN(C(=O)C#CC(C)C)C2)nn1)C(N)=O ZINC001098672867 760035929 /nfs/dbraw/zinc/03/59/29/760035929.db2.gz JUIQHKDTNHSBSD-HUUCEWRRSA-N 1 2 346.435 0.064 20 30 ECEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1OC ZINC001212349375 760057789 /nfs/dbraw/zinc/05/77/89/760057789.db2.gz SIHNQEAADNFPEA-RBSFLKMASA-N 1 2 344.477 0.593 20 30 ECEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1OC ZINC001212349375 760057798 /nfs/dbraw/zinc/05/77/98/760057798.db2.gz SIHNQEAADNFPEA-RBSFLKMASA-N 1 2 344.477 0.593 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3cnccn3)nn2)C1 ZINC001107114389 760162211 /nfs/dbraw/zinc/16/22/11/760162211.db2.gz PWDPHDDWDNHKJJ-UHFFFAOYSA-N 1 2 343.391 0.057 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3ccco3)nn2)C1 ZINC001107114788 760243855 /nfs/dbraw/zinc/24/38/55/760243855.db2.gz IONSFGFHJADVQN-UHFFFAOYSA-N 1 2 331.376 0.860 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CC3CC(C)(C)C3)[C@@H](O)C2)C1=O ZINC001083721897 767932452 /nfs/dbraw/zinc/93/24/52/767932452.db2.gz YIIVKZVGEFHGDW-OAGGEKHMSA-N 1 2 349.475 0.761 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CC3CC(C)(C)C3)[C@@H](O)C2)C1=O ZINC001083721897 767932457 /nfs/dbraw/zinc/93/24/57/767932457.db2.gz YIIVKZVGEFHGDW-OAGGEKHMSA-N 1 2 349.475 0.761 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[NH+](Cc1nnnn1C1CC1)CC2 ZINC001050460919 760301975 /nfs/dbraw/zinc/30/19/75/760301975.db2.gz APMQLTCFJZBAIS-GFCCVEGCSA-N 1 2 329.408 0.592 20 30 ECEDLO C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001050484024 760339329 /nfs/dbraw/zinc/33/93/29/760339329.db2.gz QYCDPNALHUANHU-CHWSQXEVSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@@H](c1nnnn1C)[NH+]1CCC2(CN(C(=O)C#CC3CC3)C2)CC1 ZINC001050514995 760409008 /nfs/dbraw/zinc/40/90/08/760409008.db2.gz BHTKDVMAVZPSCQ-ZDUSSCGKSA-N 1 2 328.420 0.609 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1nnc([C@H]2CCCOC2)o1 ZINC001127046054 760452471 /nfs/dbraw/zinc/45/24/71/760452471.db2.gz KTGSMQDJUDCNRQ-STQMWFEESA-N 1 2 336.392 0.208 20 30 ECEDLO C[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2CNc2nccnc2C#N)C1 ZINC001060224839 760465038 /nfs/dbraw/zinc/46/50/38/760465038.db2.gz AEMISJVNWHYZCD-UKRRQHHQSA-N 1 2 344.419 0.472 20 30 ECEDLO C[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2CNc2nccnc2C#N)C1 ZINC001060224839 760465043 /nfs/dbraw/zinc/46/50/43/760465043.db2.gz AEMISJVNWHYZCD-UKRRQHHQSA-N 1 2 344.419 0.472 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCOCC(C)C)nn2)C1 ZINC001107131950 760547118 /nfs/dbraw/zinc/54/71/18/760547118.db2.gz FMSVYMOBBHLRHG-UHFFFAOYSA-N 1 2 333.436 0.837 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(CC)[nH]n2)C1=O ZINC001032290193 760568960 /nfs/dbraw/zinc/56/89/60/760568960.db2.gz NMISBRJGUZBJAY-OFQRWUPVSA-N 1 2 343.431 0.658 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(CC)[nH]n2)C1=O ZINC001032290193 760568962 /nfs/dbraw/zinc/56/89/62/760568962.db2.gz NMISBRJGUZBJAY-OFQRWUPVSA-N 1 2 343.431 0.658 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H]([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001050728110 760739991 /nfs/dbraw/zinc/73/99/91/760739991.db2.gz JSFUZSAVAHVQJL-KBPBESRZSA-N 1 2 332.404 0.345 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2CCCC(=O)N2)s1 ZINC001038388782 761140194 /nfs/dbraw/zinc/14/01/94/761140194.db2.gz OYOVBZFDCVSXQO-SMDDNHRTSA-N 1 2 332.429 0.979 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2CCCC(=O)N2)s1 ZINC001038388782 761140199 /nfs/dbraw/zinc/14/01/99/761140199.db2.gz OYOVBZFDCVSXQO-SMDDNHRTSA-N 1 2 332.429 0.979 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001050919338 761142696 /nfs/dbraw/zinc/14/26/96/761142696.db2.gz HSKLYROKDMKNAI-HIFRSBDPSA-N 1 2 347.419 0.156 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001050919338 761142707 /nfs/dbraw/zinc/14/27/07/761142707.db2.gz HSKLYROKDMKNAI-HIFRSBDPSA-N 1 2 347.419 0.156 20 30 ECEDLO C=CCOCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001050993531 761289365 /nfs/dbraw/zinc/28/93/65/761289365.db2.gz NPGWSBFLGJRWNF-UONOGXRCSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCOCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001050993531 761289366 /nfs/dbraw/zinc/28/93/66/761289366.db2.gz NPGWSBFLGJRWNF-UONOGXRCSA-N 1 2 334.420 0.898 20 30 ECEDLO C[C@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001054526895 768030131 /nfs/dbraw/zinc/03/01/31/768030131.db2.gz GMIOSFRIOLPZGZ-IBEHDNSVSA-N 1 2 348.447 0.362 20 30 ECEDLO C[C@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001054526895 768030135 /nfs/dbraw/zinc/03/01/35/768030135.db2.gz GMIOSFRIOLPZGZ-IBEHDNSVSA-N 1 2 348.447 0.362 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@H]([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001051016914 761342991 /nfs/dbraw/zinc/34/29/91/761342991.db2.gz ILIAKKIYPLQNHK-KBPBESRZSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(-n2cnnn2)cn1 ZINC001051041572 761378922 /nfs/dbraw/zinc/37/89/22/761378922.db2.gz YKNIUVIHXAKLHU-AWEZNQCLSA-N 1 2 343.391 0.064 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(-n2cnnn2)cn1 ZINC001051041572 761378931 /nfs/dbraw/zinc/37/89/31/761378931.db2.gz YKNIUVIHXAKLHU-AWEZNQCLSA-N 1 2 343.391 0.064 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1COCCN1CCCC ZINC001051043988 761382832 /nfs/dbraw/zinc/38/28/32/761382832.db2.gz NNPRUDSNDKBODP-SJORKVTESA-N 1 2 339.480 0.880 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1COCCN1CCCC ZINC001051043988 761382840 /nfs/dbraw/zinc/38/28/40/761382840.db2.gz NNPRUDSNDKBODP-SJORKVTESA-N 1 2 339.480 0.880 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cn(C)nc1[C@H]1CCOC1 ZINC001051046460 761388395 /nfs/dbraw/zinc/38/83/95/761388395.db2.gz OBMJKADFORYXJK-LSDHHAIUSA-N 1 2 348.447 0.931 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cn(C)nc1[C@H]1CCOC1 ZINC001051046460 761388403 /nfs/dbraw/zinc/38/84/03/761388403.db2.gz OBMJKADFORYXJK-LSDHHAIUSA-N 1 2 348.447 0.931 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cn(C)nc1[C@@H]1CCOC1 ZINC001051046459 761388725 /nfs/dbraw/zinc/38/87/25/761388725.db2.gz OBMJKADFORYXJK-HUUCEWRRSA-N 1 2 348.447 0.931 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cn(C)nc1[C@@H]1CCOC1 ZINC001051046459 761388734 /nfs/dbraw/zinc/38/87/34/761388734.db2.gz OBMJKADFORYXJK-HUUCEWRRSA-N 1 2 348.447 0.931 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001105737552 761426599 /nfs/dbraw/zinc/42/65/99/761426599.db2.gz HOLDKWWLDCNWPL-RYUDHWBXSA-N 1 2 348.407 0.234 20 30 ECEDLO Cc1nc(NC[C@H](O)CNC(=O)CSCC#N)c2c([nH+]1)CCCC2 ZINC001105753918 761528031 /nfs/dbraw/zinc/52/80/31/761528031.db2.gz DKAWPXTUXCEHKY-GFCCVEGCSA-N 1 2 349.460 0.810 20 30 ECEDLO CN(CCOCCNc1[nH+]cnc2c1cnn2C)C(=O)C#CC1CC1 ZINC001127311177 768047075 /nfs/dbraw/zinc/04/70/75/768047075.db2.gz MEGCEWCWKYEKOO-UHFFFAOYSA-N 1 2 342.403 0.664 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC001051155395 761577104 /nfs/dbraw/zinc/57/71/04/761577104.db2.gz FXAPGWLLMFMAAW-CVEARBPZSA-N 1 2 335.448 0.781 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC001051155395 761577110 /nfs/dbraw/zinc/57/71/10/761577110.db2.gz FXAPGWLLMFMAAW-CVEARBPZSA-N 1 2 335.448 0.781 20 30 ECEDLO C=CCCOCCCCC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001127125097 761599284 /nfs/dbraw/zinc/59/92/84/761599284.db2.gz SDZZORAGJKBUHX-UHFFFAOYSA-N 1 2 325.413 0.077 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001051199853 761673527 /nfs/dbraw/zinc/67/35/27/761673527.db2.gz IOQPSANHLLAXJT-ZIAGYGMSSA-N 1 2 335.408 0.246 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001051199853 761673533 /nfs/dbraw/zinc/67/35/33/761673533.db2.gz IOQPSANHLLAXJT-ZIAGYGMSSA-N 1 2 335.408 0.246 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2C[C@@H](CC)OC)nc1 ZINC001051213625 761702222 /nfs/dbraw/zinc/70/22/22/761702222.db2.gz BUUNEQAMRWMRQL-JKSUJKDBSA-N 1 2 331.416 0.919 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2C[C@@H](CC)OC)nc1 ZINC001051213625 761702229 /nfs/dbraw/zinc/70/22/29/761702229.db2.gz BUUNEQAMRWMRQL-JKSUJKDBSA-N 1 2 331.416 0.919 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(c2ccc(C#N)cn2)C[C@H]1O ZINC001051712050 762765985 /nfs/dbraw/zinc/76/59/85/762765985.db2.gz JYEUGBCVCLKWGX-DZGCQCFKSA-N 1 2 340.387 0.283 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCO[C@H](C[NH2+]Cc3cnsn3)C2)c1 ZINC001051817451 763033756 /nfs/dbraw/zinc/03/37/56/763033756.db2.gz SFWPBGIQVUXZHH-OAHLLOKOSA-N 1 2 343.412 0.545 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2nnc(C)o2)C1 ZINC001051833905 763076092 /nfs/dbraw/zinc/07/60/92/763076092.db2.gz AIBXJIZLNBRWCX-MJBXVCDLSA-N 1 2 336.392 0.286 20 30 ECEDLO Cc1nn[nH]c1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031890034 763333535 /nfs/dbraw/zinc/33/35/35/763333535.db2.gz BTENRELGGHIQFF-UHFFFAOYSA-N 1 2 328.351 0.986 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2O)C1 ZINC000991766217 763333803 /nfs/dbraw/zinc/33/38/03/763333803.db2.gz XUFXZKOZQRCEKH-HUUCEWRRSA-N 1 2 346.431 0.777 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2O)C1 ZINC000991766217 763333809 /nfs/dbraw/zinc/33/38/09/763333809.db2.gz XUFXZKOZQRCEKH-HUUCEWRRSA-N 1 2 346.431 0.777 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001014883191 763365004 /nfs/dbraw/zinc/36/50/04/763365004.db2.gz VIRJSSDHFQBMFN-IUODEOHRSA-N 1 2 340.387 0.892 20 30 ECEDLO CNC(=O)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001046928420 763402412 /nfs/dbraw/zinc/40/24/12/763402412.db2.gz IOZTYTUCCLMYGZ-LLVKDONJSA-N 1 2 339.346 0.319 20 30 ECEDLO CNC(=O)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001046928420 763402418 /nfs/dbraw/zinc/40/24/18/763402418.db2.gz IOZTYTUCCLMYGZ-LLVKDONJSA-N 1 2 339.346 0.319 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)CCC2(F)F)[nH]1 ZINC001046930758 763409103 /nfs/dbraw/zinc/40/91/03/763409103.db2.gz IRNLFHSKAXLQEH-VIFPVBQESA-N 1 2 325.319 0.059 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)CCC2(F)F)[nH]1 ZINC001046930758 763409106 /nfs/dbraw/zinc/40/91/06/763409106.db2.gz IRNLFHSKAXLQEH-VIFPVBQESA-N 1 2 325.319 0.059 20 30 ECEDLO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001046956691 763459984 /nfs/dbraw/zinc/45/99/84/763459984.db2.gz COSKKWPAGRHNPV-NSHDSACASA-N 1 2 339.342 0.704 20 30 ECEDLO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)C1 ZINC001046956691 763459988 /nfs/dbraw/zinc/45/99/88/763459988.db2.gz COSKKWPAGRHNPV-NSHDSACASA-N 1 2 339.342 0.704 20 30 ECEDLO CN1C(=O)CC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031901596 763475891 /nfs/dbraw/zinc/47/58/91/763475891.db2.gz GPTSSQBIXIYSRH-INIZCTEOSA-N 1 2 344.390 0.866 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CC(N)=O)CCC1(F)F ZINC001046981032 763502530 /nfs/dbraw/zinc/50/25/30/763502530.db2.gz UILBSLLANYUUHX-OBJOEFQTSA-N 1 2 345.390 0.526 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCC1(F)F ZINC001046981032 763502533 /nfs/dbraw/zinc/50/25/33/763502533.db2.gz UILBSLLANYUUHX-OBJOEFQTSA-N 1 2 345.390 0.526 20 30 ECEDLO CCn1cc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)nn1 ZINC001051997917 763548520 /nfs/dbraw/zinc/54/85/20/763548520.db2.gz KQRANVNZWXVMQE-ZBFHGGJFSA-N 1 2 345.451 0.176 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3cc(C)on3)C2)CC1 ZINC001051999154 763554226 /nfs/dbraw/zinc/55/42/26/763554226.db2.gz FTDLNJWPFCKWBN-KRWDZBQOSA-N 1 2 330.432 0.767 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@@H]3COC(=O)C3)C2)CC1 ZINC001052013176 763585238 /nfs/dbraw/zinc/58/52/38/763585238.db2.gz SFTJOBZOPQPQNA-HOTGVXAUSA-N 1 2 333.432 0.181 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3nccc(C)n3)C2)CC1 ZINC001052022365 763607010 /nfs/dbraw/zinc/60/70/10/763607010.db2.gz UMHYPIQUZHPNAL-MRXNPFEDSA-N 1 2 327.432 0.640 20 30 ECEDLO C#CCC1(C(=O)NC[C@@H](O)CNc2nc(N(C)C)nc(C)[nH+]2)CCC1 ZINC001106004128 763610585 /nfs/dbraw/zinc/61/05/85/763610585.db2.gz MJYLZUUGABCSJN-CYBMUJFWSA-N 1 2 346.435 0.329 20 30 ECEDLO C[C@@H](C(=O)N(C)C)[NH+]1CCN([C@@H]2CCN(C(=O)C#CC3CC3)C2)CC1 ZINC001052025514 763615435 /nfs/dbraw/zinc/61/54/35/763615435.db2.gz GGMVJXCZLNTEEW-DOTOQJQBSA-N 1 2 346.475 0.095 20 30 ECEDLO C[C@@H](C(=O)N(C)C)N1CC[NH+]([C@@H]2CCN(C(=O)C#CC3CC3)C2)CC1 ZINC001052025514 763615440 /nfs/dbraw/zinc/61/54/40/763615440.db2.gz GGMVJXCZLNTEEW-DOTOQJQBSA-N 1 2 346.475 0.095 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(C)nn3)C2)CC1 ZINC001052026486 763620167 /nfs/dbraw/zinc/62/01/67/763620167.db2.gz PRYMVOOGMQWPGG-INIZCTEOSA-N 1 2 327.432 0.640 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(OC)ns3)C2)CC1 ZINC001052027519 763622736 /nfs/dbraw/zinc/62/27/36/763622736.db2.gz GYDPQNWLKLDZQS-CYBMUJFWSA-N 1 2 334.445 0.617 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)c3ccnn3C)C2)CC1 ZINC001052030416 763628800 /nfs/dbraw/zinc/62/88/00/763628800.db2.gz NRKJRENWQOCHHM-JKSUJKDBSA-N 1 2 329.448 0.375 20 30 ECEDLO CC(C)Cn1ccc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052032118 763634158 /nfs/dbraw/zinc/63/41/58/763634158.db2.gz BKFNHPHWYKFCAR-INIZCTEOSA-N 1 2 344.463 0.895 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccnn3C(C)C)C2)CC1 ZINC001052032695 763635184 /nfs/dbraw/zinc/63/51/84/763635184.db2.gz IXWQSTLLMQAYKK-MRXNPFEDSA-N 1 2 329.448 0.929 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn4c3CCC4)C2)CC1 ZINC001052035892 763645265 /nfs/dbraw/zinc/64/52/65/763645265.db2.gz STLROYWRRNEPTN-HNNXBMFYSA-N 1 2 329.448 0.847 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)CC1 ZINC001052036036 763646216 /nfs/dbraw/zinc/64/62/16/763646216.db2.gz XJUFRRUBBVWGAW-HZPDHXFCSA-N 1 2 334.464 0.259 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)CC1 ZINC001052036035 763646633 /nfs/dbraw/zinc/64/66/33/763646633.db2.gz XJUFRRUBBVWGAW-HOTGVXAUSA-N 1 2 334.464 0.259 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3CCC(=O)NC3)C2)CC1 ZINC001052036851 763650250 /nfs/dbraw/zinc/65/02/50/763650250.db2.gz WHSGEJAPQDVUJA-IAGOWNOFSA-N 1 2 348.491 0.697 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3CCC(=O)NC3)C2)CC1 ZINC001052036698 763651059 /nfs/dbraw/zinc/65/10/59/763651059.db2.gz SRQAOWTVOQDXDM-IAGOWNOFSA-N 1 2 346.475 0.145 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc4n3CCC4)C2)CC1 ZINC001052037363 763655759 /nfs/dbraw/zinc/65/57/59/763655759.db2.gz LQSLUWQCDHIPJX-HNNXBMFYSA-N 1 2 329.448 0.847 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@]3(CC)CCNC3=O)C2)CC1 ZINC001052041632 763668054 /nfs/dbraw/zinc/66/80/54/763668054.db2.gz NJRAYTVFZRQFBH-VQIMIIECSA-N 1 2 346.475 0.145 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc4[nH]ccc4c3)C2)CC1 ZINC001052041772 763669419 /nfs/dbraw/zinc/66/94/19/763669419.db2.gz QMBOBWOEFNJDPN-INIZCTEOSA-N 1 2 338.415 0.870 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn(C)c3Cl)C2)CC1 ZINC001052045155 763682200 /nfs/dbraw/zinc/68/22/00/763682200.db2.gz QNWGRLPABBVZAF-CQSZACIVSA-N 1 2 349.866 0.929 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCCN(C(C)=O)C3)C2)CC1 ZINC001052047046 763688891 /nfs/dbraw/zinc/68/88/91/763688891.db2.gz HNDOMJSOEADOKI-ROUUACIJSA-N 1 2 346.475 0.097 20 30 ECEDLO CN(C)c1ccc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)cn1 ZINC001052047860 763692411 /nfs/dbraw/zinc/69/24/11/763692411.db2.gz CZEPIHPREZMLIN-INIZCTEOSA-N 1 2 342.447 0.503 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnc4ccccn34)C2)CC1 ZINC001052048382 763695340 /nfs/dbraw/zinc/69/53/40/763695340.db2.gz RRQDRKYDXDGAGM-MRXNPFEDSA-N 1 2 337.427 0.800 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cn3nc(C)cc3C)C2)CC1 ZINC001052048709 763697909 /nfs/dbraw/zinc/69/79/09/763697909.db2.gz BYVVYCKVGXTOMU-GOSISDBHSA-N 1 2 343.475 0.742 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccnc(OC)c3)C2)CC1 ZINC001052048606 763698171 /nfs/dbraw/zinc/69/81/71/763698171.db2.gz YWWHLTDATGOAGO-QGZVFWFLSA-N 1 2 342.443 0.946 20 30 ECEDLO N#Cc1cccnc1NC[C@@H](O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001106016803 763700909 /nfs/dbraw/zinc/70/09/09/763700909.db2.gz XTXOPQXGEWEYRT-UKRRQHHQSA-N 1 2 340.387 0.301 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)Cn3nc(C)cc3C)C2)CC1 ZINC001052050496 763707338 /nfs/dbraw/zinc/70/73/38/763707338.db2.gz VRRSFRVCAPVESR-KRWDZBQOSA-N 1 2 329.448 0.352 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)c3cn(C)c(=O)cn3)C2)CC1 ZINC001052053561 763718135 /nfs/dbraw/zinc/71/81/35/763718135.db2.gz NKXKPLNKSVENSY-OAHLLOKOSA-N 1 2 345.447 0.189 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc4nccn4c3)C2)CC1 ZINC001052052797 763718856 /nfs/dbraw/zinc/71/88/56/763718856.db2.gz XVYNHPWJHNGWPH-HNNXBMFYSA-N 1 2 339.403 0.085 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](OC)c3cnn(C)c3)C2)CC1 ZINC001052054778 763722032 /nfs/dbraw/zinc/72/20/32/763722032.db2.gz CRXONUZJUNKROP-SJORKVTESA-N 1 2 347.463 0.512 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn(C)nc3OC)C2)CC1 ZINC001052060800 763741418 /nfs/dbraw/zinc/74/14/18/763741418.db2.gz MQLAMAJFVDVNGB-OAHLLOKOSA-N 1 2 345.447 0.284 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(CCO)CC3)C2)cc1 ZINC001052061213 763743266 /nfs/dbraw/zinc/74/32/66/763743266.db2.gz UHQMZEQCABFIIC-GOSISDBHSA-N 1 2 327.428 0.492 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3CCC(=O)N3C)C2)CC1 ZINC001052061271 763743472 /nfs/dbraw/zinc/74/34/72/763743472.db2.gz VRFWPTGWQXQXDI-IRXDYDNUSA-N 1 2 348.491 0.792 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCCc4nn[nH]c43)C2)CC1 ZINC001052068561 763762726 /nfs/dbraw/zinc/76/27/26/763762726.db2.gz JMYKOVFZKGIHDA-CABCVRRESA-N 1 2 342.447 0.076 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCCc4nn[nH]c43)C2)CC1 ZINC001052068565 763763477 /nfs/dbraw/zinc/76/34/77/763763477.db2.gz JMYKOVFZKGIHDA-LSDHHAIUSA-N 1 2 342.447 0.076 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)COc3cnn(C)c3)C2)CC1 ZINC001052070623 763769923 /nfs/dbraw/zinc/76/99/23/763769923.db2.gz KBKDNKAXAMIYEU-MRXNPFEDSA-N 1 2 345.447 0.041 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)c3cncnc3)C2)CC1 ZINC001052071747 763773369 /nfs/dbraw/zinc/77/33/69/763773369.db2.gz YRYLUALYKTWUSK-AEFFLSMTSA-N 1 2 341.459 0.822 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccnc3OC)C2)CC1 ZINC001052074702 763780715 /nfs/dbraw/zinc/78/07/15/763780715.db2.gz JEQOETKOAHRMJR-OAHLLOKOSA-N 1 2 328.416 0.556 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccnc3OC)C2)CC1 ZINC001052074702 763780718 /nfs/dbraw/zinc/78/07/18/763780718.db2.gz JEQOETKOAHRMJR-OAHLLOKOSA-N 1 2 328.416 0.556 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)Cn3ccc(C)n3)C2)CC1 ZINC001052085272 763810741 /nfs/dbraw/zinc/81/07/41/763810741.db2.gz BZUFVOUPIHRMIE-QGZVFWFLSA-N 1 2 331.464 0.986 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCO[C@H]3C=C)C2)CC1 ZINC001052089164 763823662 /nfs/dbraw/zinc/82/36/62/763823662.db2.gz OQIIIOVCEALALQ-KURKYZTESA-N 1 2 331.460 0.819 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CCC[C@@H](C)C3)C2)CC1 ZINC001052093470 763836256 /nfs/dbraw/zinc/83/62/56/763836256.db2.gz PKCTXMPVKRMWKR-IAGOWNOFSA-N 1 2 346.475 0.097 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C(=O)N3CCC[C@@H](C)C3)C2)CC1 ZINC001052093470 763836264 /nfs/dbraw/zinc/83/62/64/763836264.db2.gz PKCTXMPVKRMWKR-IAGOWNOFSA-N 1 2 346.475 0.097 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(COC)on3)C2)CC1 ZINC001052094153 763840379 /nfs/dbraw/zinc/84/03/79/763840379.db2.gz YUWLIRHBYKNTMQ-CQSZACIVSA-N 1 2 334.420 0.839 20 30 ECEDLO Cc1ncc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)c(C)n1 ZINC001052099612 763858224 /nfs/dbraw/zinc/85/82/24/763858224.db2.gz NZVTVIXMMJHYFY-HNNXBMFYSA-N 1 2 328.420 0.449 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3coc(CC4CC4)n3)C2)CC1 ZINC001052103316 763869524 /nfs/dbraw/zinc/86/95/24/763869524.db2.gz PHNWHVMVGJEKKL-HNNXBMFYSA-N 1 2 343.431 0.983 20 30 ECEDLO CCc1nc(C)c(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)o1 ZINC001052105168 763875311 /nfs/dbraw/zinc/87/53/11/763875311.db2.gz GNTZSDNWAKFIER-AWEZNQCLSA-N 1 2 331.420 0.901 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3ccccc3)C2)C1=O ZINC001047286784 763889771 /nfs/dbraw/zinc/88/97/71/763889771.db2.gz HNKPQCCSKXUMLA-IKGGRYGDSA-N 1 2 343.427 0.591 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3ccccc3)C2)C1=O ZINC001047286784 763889777 /nfs/dbraw/zinc/88/97/77/763889777.db2.gz HNKPQCCSKXUMLA-IKGGRYGDSA-N 1 2 343.427 0.591 20 30 ECEDLO C[C@H](Oc1ccccn1)C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052108439 763891285 /nfs/dbraw/zinc/89/12/85/763891285.db2.gz MCNKQSDZUKZLGC-JKSUJKDBSA-N 1 2 343.431 0.591 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](N3CC[NH+](CC#CC)CC3)C2)cn1 ZINC001052109684 763897156 /nfs/dbraw/zinc/89/71/56/763897156.db2.gz GLJBTOCBKCHYRD-LJQANCHMSA-N 1 2 336.439 0.918 20 30 ECEDLO CO[C@H](C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1)C1CCCC1 ZINC001052111953 763906236 /nfs/dbraw/zinc/90/62/36/763906236.db2.gz HXVOJDLYXJKOGN-SJORKVTESA-N 1 2 334.464 0.934 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn(C)c3OC)C2)CC1 ZINC001052113153 763910623 /nfs/dbraw/zinc/91/06/23/763910623.db2.gz NUNOHPGXQXQRNX-CQSZACIVSA-N 1 2 333.436 0.447 20 30 ECEDLO CN(C(=O)[C@@H]1CCCO1)[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@@H]1O ZINC001047295464 763911771 /nfs/dbraw/zinc/91/17/71/763911771.db2.gz MAUWLKSBGNRLLA-ULQDDVLXSA-N 1 2 347.390 0.880 20 30 ECEDLO CN(C(=O)[C@@H]1CCCO1)[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1O ZINC001047295464 763911777 /nfs/dbraw/zinc/91/17/77/763911777.db2.gz MAUWLKSBGNRLLA-ULQDDVLXSA-N 1 2 347.390 0.880 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1OC ZINC001212186951 763916757 /nfs/dbraw/zinc/91/67/57/763916757.db2.gz DCRQZSQJTVORJV-RBSFLKMASA-N 1 2 342.461 0.040 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)C[C@H]1OC ZINC001212186951 763916762 /nfs/dbraw/zinc/91/67/62/763916762.db2.gz DCRQZSQJTVORJV-RBSFLKMASA-N 1 2 342.461 0.040 20 30 ECEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC001031979485 763936064 /nfs/dbraw/zinc/93/60/64/763936064.db2.gz XMLXRZSGHAVFLV-UHFFFAOYSA-N 1 2 338.839 0.937 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)C2)CC1 ZINC001052122766 763947473 /nfs/dbraw/zinc/94/74/73/763947473.db2.gz ZPHXKPGTMAPHDQ-SJORKVTESA-N 1 2 346.475 0.097 20 30 ECEDLO Cc1cc(C(=O)N(C)[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)[nH]n1 ZINC001047315429 763968841 /nfs/dbraw/zinc/96/88/41/763968841.db2.gz CQALATSNBBGAIR-ROUUACIJSA-N 1 2 338.411 0.887 20 30 ECEDLO Cc1cc(C(=O)N(C)[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)[nH]n1 ZINC001047315429 763968845 /nfs/dbraw/zinc/96/88/45/763968845.db2.gz CQALATSNBBGAIR-ROUUACIJSA-N 1 2 338.411 0.887 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NC[C@@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001106041532 764044828 /nfs/dbraw/zinc/04/48/28/764044828.db2.gz BAQPPVGDQZFPRU-NSHDSACASA-N 1 2 332.408 0.855 20 30 ECEDLO C=CCOCC(=O)N1C[C@H](C)[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001052215884 764068169 /nfs/dbraw/zinc/06/81/69/764068169.db2.gz SONUKEJRQHMEIE-GJZGRUSLSA-N 1 2 334.420 0.687 20 30 ECEDLO Cc1cc(C[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)sn1 ZINC001047354481 764092452 /nfs/dbraw/zinc/09/24/52/764092452.db2.gz ZCVRAGYYIGTFNA-GJZGRUSLSA-N 1 2 345.428 0.969 20 30 ECEDLO Cc1cc(C[N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)sn1 ZINC001047354481 764092456 /nfs/dbraw/zinc/09/24/56/764092456.db2.gz ZCVRAGYYIGTFNA-GJZGRUSLSA-N 1 2 345.428 0.969 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3nnnn3CC2)[C@H]1C ZINC001088871024 764195105 /nfs/dbraw/zinc/19/51/05/764195105.db2.gz RYYADVGOOLHUBR-AGIUHOORSA-N 1 2 338.843 0.957 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3nnnn3CC2)[C@H]1C ZINC001088871024 764195112 /nfs/dbraw/zinc/19/51/12/764195112.db2.gz RYYADVGOOLHUBR-AGIUHOORSA-N 1 2 338.843 0.957 20 30 ECEDLO Cn1ncnc1C[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001052315525 764237280 /nfs/dbraw/zinc/23/72/80/764237280.db2.gz QVOYGPWEBOBSLT-CYBMUJFWSA-N 1 2 327.392 0.799 20 30 ECEDLO Cn1ncnc1C[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001052315525 764237285 /nfs/dbraw/zinc/23/72/85/764237285.db2.gz QVOYGPWEBOBSLT-CYBMUJFWSA-N 1 2 327.392 0.799 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001052319115 764241988 /nfs/dbraw/zinc/24/19/88/764241988.db2.gz RIQPCNRKAJFIFA-WCQYABFASA-N 1 2 342.407 0.755 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001052319115 764241993 /nfs/dbraw/zinc/24/19/93/764241993.db2.gz RIQPCNRKAJFIFA-WCQYABFASA-N 1 2 342.407 0.755 20 30 ECEDLO Cn1ncc(C[N@@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)CC2)n1 ZINC001052319864 764243479 /nfs/dbraw/zinc/24/34/79/764243479.db2.gz LFVVEEMZIRRRQB-LBPRGKRZSA-N 1 2 327.392 0.799 20 30 ECEDLO Cn1ncc(C[N@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)CC2)n1 ZINC001052319864 764243483 /nfs/dbraw/zinc/24/34/83/764243483.db2.gz LFVVEEMZIRRRQB-LBPRGKRZSA-N 1 2 327.392 0.799 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001032040821 764248143 /nfs/dbraw/zinc/24/81/43/764248143.db2.gz VTKGTXKXDISDLD-RDJZCZTQSA-N 1 2 335.448 0.684 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc3cccnc3s2)C1 ZINC001047411294 764260631 /nfs/dbraw/zinc/26/06/31/764260631.db2.gz VOKUJSWJDWSOFO-STQMWFEESA-N 1 2 330.413 0.832 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2nc3cccnc3s2)C1 ZINC001047411294 764260635 /nfs/dbraw/zinc/26/06/35/764260635.db2.gz VOKUJSWJDWSOFO-STQMWFEESA-N 1 2 330.413 0.832 20 30 ECEDLO C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001052383561 764380800 /nfs/dbraw/zinc/38/08/00/764380800.db2.gz GOLZIUNPWOUNKO-QWHCGFSZSA-N 1 2 340.387 0.607 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001015395699 764521190 /nfs/dbraw/zinc/52/11/90/764521190.db2.gz FIVDNVJKMYRSHH-NEPJUHHUSA-N 1 2 337.798 0.895 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COCCN2CC(F)F)C1 ZINC001015395699 764521195 /nfs/dbraw/zinc/52/11/95/764521195.db2.gz FIVDNVJKMYRSHH-NEPJUHHUSA-N 1 2 337.798 0.895 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)COCCCOC)C2)nn1 ZINC001098766951 764589769 /nfs/dbraw/zinc/58/97/69/764589769.db2.gz INSUENBQPDXHMX-MRXNPFEDSA-N 1 2 349.435 0.218 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2cnoc2C)C[C@@H]1O ZINC001047533615 764618674 /nfs/dbraw/zinc/61/86/74/764618674.db2.gz ZLJQJGFSDSIJKJ-UGUYLWEFSA-N 1 2 335.404 0.578 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2cnoc2C)C[C@@H]1O ZINC001047533615 764618677 /nfs/dbraw/zinc/61/86/77/764618677.db2.gz ZLJQJGFSDSIJKJ-UGUYLWEFSA-N 1 2 335.404 0.578 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1C ZINC001088979112 764681088 /nfs/dbraw/zinc/68/10/88/764681088.db2.gz VEGVOESOPPBQTD-ZJUUUORDSA-N 1 2 336.783 0.363 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1C ZINC001088979112 764681093 /nfs/dbraw/zinc/68/10/93/764681093.db2.gz VEGVOESOPPBQTD-ZJUUUORDSA-N 1 2 336.783 0.363 20 30 ECEDLO C=CCn1cccc1C(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001054753364 768230903 /nfs/dbraw/zinc/23/09/03/768230903.db2.gz XUCHUVGXXRQKFH-QWHCGFSZSA-N 1 2 329.408 0.448 20 30 ECEDLO CN(C(=O)c1cnon1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047572056 764731029 /nfs/dbraw/zinc/73/10/29/764731029.db2.gz ZMXVNZLNEQLGQA-GJZGRUSLSA-N 1 2 327.344 0.259 20 30 ECEDLO CN(C(=O)c1cnon1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047572056 764731040 /nfs/dbraw/zinc/73/10/40/764731040.db2.gz ZMXVNZLNEQLGQA-GJZGRUSLSA-N 1 2 327.344 0.259 20 30 ECEDLO C#CCOCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001052600251 764832053 /nfs/dbraw/zinc/83/20/53/764832053.db2.gz VHGAWKAPPWZMSB-CABCVRRESA-N 1 2 346.431 0.213 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@H+](Cc3cc(C)no3)C[C@@H]2O)cn1 ZINC001047601883 764847131 /nfs/dbraw/zinc/84/71/31/764847131.db2.gz PNTBQYQVERXNRZ-IRXDYDNUSA-N 1 2 340.383 0.677 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](Cc3cc(C)no3)C[C@@H]2O)cn1 ZINC001047601883 764847141 /nfs/dbraw/zinc/84/71/41/764847141.db2.gz PNTBQYQVERXNRZ-IRXDYDNUSA-N 1 2 340.383 0.677 20 30 ECEDLO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001015533901 764905202 /nfs/dbraw/zinc/90/52/02/764905202.db2.gz ZYVXUBKTFMKDMJ-CVEARBPZSA-N 1 2 326.400 0.870 20 30 ECEDLO CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001015533901 764905210 /nfs/dbraw/zinc/90/52/10/764905210.db2.gz ZYVXUBKTFMKDMJ-CVEARBPZSA-N 1 2 326.400 0.870 20 30 ECEDLO Cn1nnc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC001015544192 764920408 /nfs/dbraw/zinc/92/04/08/764920408.db2.gz CZKLISNHZRPMEU-GFCCVEGCSA-N 1 2 329.339 0.225 20 30 ECEDLO Cn1nnc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC001015544192 764920416 /nfs/dbraw/zinc/92/04/16/764920416.db2.gz CZKLISNHZRPMEU-GFCCVEGCSA-N 1 2 329.339 0.225 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC001052724403 765044723 /nfs/dbraw/zinc/04/47/23/765044723.db2.gz ZZOPFULYSCHEHM-MCIONIFRSA-N 1 2 349.435 0.170 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC001052724403 765044726 /nfs/dbraw/zinc/04/47/26/765044726.db2.gz ZZOPFULYSCHEHM-MCIONIFRSA-N 1 2 349.435 0.170 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)C2)c1 ZINC001015678629 765150053 /nfs/dbraw/zinc/15/00/53/765150053.db2.gz LGLJXBGJEMFOCF-HOCLYGCPSA-N 1 2 347.440 0.302 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C2)c1 ZINC001015678629 765150055 /nfs/dbraw/zinc/15/00/55/765150055.db2.gz LGLJXBGJEMFOCF-HOCLYGCPSA-N 1 2 347.440 0.302 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)c1 ZINC001015679274 765150355 /nfs/dbraw/zinc/15/03/55/765150355.db2.gz YBULNYGLRCSMEU-MRXNPFEDSA-N 1 2 326.400 0.489 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCCC3)C2)c1 ZINC001015679274 765150360 /nfs/dbraw/zinc/15/03/60/765150360.db2.gz YBULNYGLRCSMEU-MRXNPFEDSA-N 1 2 326.400 0.489 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3cnccn3)C2)nn1 ZINC001015810658 765369395 /nfs/dbraw/zinc/36/93/95/765369395.db2.gz OXRZSAKDNSHOFT-STQMWFEESA-N 1 2 327.392 0.819 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3cnccn3)C2)nn1 ZINC001015810658 765369398 /nfs/dbraw/zinc/36/93/98/765369398.db2.gz OXRZSAKDNSHOFT-STQMWFEESA-N 1 2 327.392 0.819 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cncn3C)C2)nn1 ZINC001015820600 765382954 /nfs/dbraw/zinc/38/29/54/765382954.db2.gz JDHYPUMOGYBLEE-ZDUSSCGKSA-N 1 2 329.408 0.592 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cncn3C)C2)nn1 ZINC001015820600 765382962 /nfs/dbraw/zinc/38/29/62/765382962.db2.gz JDHYPUMOGYBLEE-ZDUSSCGKSA-N 1 2 329.408 0.592 20 30 ECEDLO Cn1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)n1 ZINC001015845727 765432580 /nfs/dbraw/zinc/43/25/80/765432580.db2.gz PWQPSUGBHGQOAJ-ZDUSSCGKSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)n1 ZINC001015845727 765432584 /nfs/dbraw/zinc/43/25/84/765432584.db2.gz PWQPSUGBHGQOAJ-ZDUSSCGKSA-N 1 2 328.351 0.830 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3cnccn3)C[C@H]2O)cc1 ZINC001077493732 765585606 /nfs/dbraw/zinc/58/56/06/765585606.db2.gz INBBUECKUZCWGB-MORSLUCNSA-N 1 2 336.395 0.994 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3cnccn3)C[C@H]2O)cc1 ZINC001077493732 765585608 /nfs/dbraw/zinc/58/56/08/765585608.db2.gz INBBUECKUZCWGB-MORSLUCNSA-N 1 2 336.395 0.994 20 30 ECEDLO C#CCOCCC(=O)N[C@H](C)CCNc1ncnc2c1C[N@H+](C)CC2 ZINC001106441504 768308277 /nfs/dbraw/zinc/30/82/77/768308277.db2.gz ASSXLBRFBUPSPI-CQSZACIVSA-N 1 2 345.447 0.811 20 30 ECEDLO C#CCOCCC(=O)N[C@H](C)CCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106441504 768308283 /nfs/dbraw/zinc/30/82/83/768308283.db2.gz ASSXLBRFBUPSPI-CQSZACIVSA-N 1 2 345.447 0.811 20 30 ECEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(S(N)(=O)=O)o1 ZINC001017705702 768309969 /nfs/dbraw/zinc/30/99/69/768309969.db2.gz FIZVWPLFBFNKQG-TXEJJXNPSA-N 1 2 339.417 0.792 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(S(N)(=O)=O)o1 ZINC001017705702 768309977 /nfs/dbraw/zinc/30/99/77/768309977.db2.gz FIZVWPLFBFNKQG-TXEJJXNPSA-N 1 2 339.417 0.792 20 30 ECEDLO C#CCNC(=O)CC(=O)N1CC[C@@H](C)[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001089179087 765825396 /nfs/dbraw/zinc/82/53/96/765825396.db2.gz FRYXOFQNRBNUFO-UKRRQHHQSA-N 1 2 343.431 0.821 20 30 ECEDLO C=C(C)CN1CC2(C1)CN(C(=O)[C@@H]1CCc3[nH+]ccn3C1)CCO2 ZINC001053315032 765955368 /nfs/dbraw/zinc/95/53/68/765955368.db2.gz ZWLYSOFUDNDUEE-OAHLLOKOSA-N 1 2 330.432 0.935 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001016369625 766194034 /nfs/dbraw/zinc/19/40/34/766194034.db2.gz KLMYYIBCAOLLMT-UHFFFAOYSA-N 1 2 340.387 0.582 20 30 ECEDLO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1nc3ncccn3n1)CCO2 ZINC001053476750 766198229 /nfs/dbraw/zinc/19/82/29/766198229.db2.gz GAGZJSRHZAGTFR-UHFFFAOYSA-N 1 2 342.403 0.617 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC001017771411 768358333 /nfs/dbraw/zinc/35/83/33/768358333.db2.gz GNIKUWAMVPYHSD-VVLHAWIVSA-N 1 2 333.432 0.321 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H](OC)CN1C(C)=O ZINC001017771411 768358341 /nfs/dbraw/zinc/35/83/41/768358341.db2.gz GNIKUWAMVPYHSD-VVLHAWIVSA-N 1 2 333.432 0.321 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)nc1[C@@H]1CCOC1 ZINC001017771029 768358521 /nfs/dbraw/zinc/35/85/21/768358521.db2.gz BFRWJZHGVPMHCJ-KFWWJZLASA-N 1 2 328.416 0.846 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)nc1[C@@H]1CCOC1 ZINC001017771029 768358529 /nfs/dbraw/zinc/35/85/29/768358529.db2.gz BFRWJZHGVPMHCJ-KFWWJZLASA-N 1 2 328.416 0.846 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001016409423 766247682 /nfs/dbraw/zinc/24/76/82/766247682.db2.gz WGHRWPJGGJEIRS-HOTGVXAUSA-N 1 2 341.415 0.792 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001016409423 766247685 /nfs/dbraw/zinc/24/76/85/766247685.db2.gz WGHRWPJGGJEIRS-HOTGVXAUSA-N 1 2 341.415 0.792 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCc3nnc(C)n3C1)CCO2 ZINC001053540471 766305071 /nfs/dbraw/zinc/30/50/71/766305071.db2.gz SVSSGTJHXYQTQV-HNNXBMFYSA-N 1 2 345.447 0.638 20 30 ECEDLO CC#CCN1CC2(C1)CN(C(=O)[C@@H](c1cccnc1)[NH+](C)C)CCO2 ZINC001053542505 766308836 /nfs/dbraw/zinc/30/88/36/766308836.db2.gz JCEHVAFSQHREPW-QGZVFWFLSA-N 1 2 342.443 0.621 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001045778016 766359436 /nfs/dbraw/zinc/35/94/36/766359436.db2.gz RWMSYNUHKBOIKR-INIZCTEOSA-N 1 2 334.420 0.254 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1nnn(C(C)(C)C)n1)O2 ZINC001053600607 766408687 /nfs/dbraw/zinc/40/86/87/766408687.db2.gz MYEHIJDDAROZQL-ZDUSSCGKSA-N 1 2 348.451 0.967 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCN(C(N)=O)C1)O2 ZINC001053625705 766466309 /nfs/dbraw/zinc/46/63/09/766466309.db2.gz CTQXOCSJKDKTHW-KBPBESRZSA-N 1 2 336.436 0.313 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccn3nnnc3c1)O2 ZINC001053634105 766483455 /nfs/dbraw/zinc/48/34/55/766483455.db2.gz JVZVNDQWXNGMEX-CQSZACIVSA-N 1 2 342.403 0.664 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000992418131 766529448 /nfs/dbraw/zinc/52/94/48/766529448.db2.gz FLOILLDMMRNADH-PQAZSJQKSA-N 1 2 332.404 0.554 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@H]1OC ZINC001212255123 766542309 /nfs/dbraw/zinc/54/23/09/766542309.db2.gz DEEWTNREOKNQDY-NUEKZKHPSA-N 1 2 335.404 0.645 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@H]1OC ZINC001212255123 766542311 /nfs/dbraw/zinc/54/23/11/766542311.db2.gz DEEWTNREOKNQDY-NUEKZKHPSA-N 1 2 335.404 0.645 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc3nncn3c1)O2 ZINC001053676322 766559257 /nfs/dbraw/zinc/55/92/57/766559257.db2.gz ZLDDGQHYVHZJML-CQSZACIVSA-N 1 2 327.388 0.879 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CCC3(C[NH+](CCOC)C3)O2)nn1 ZINC001053676584 766559355 /nfs/dbraw/zinc/55/93/55/766559355.db2.gz FVIFFGNQGGVPRN-AWEZNQCLSA-N 1 2 349.435 0.464 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCCN1C(N)=O)O2 ZINC001053687804 766591793 /nfs/dbraw/zinc/59/17/93/766591793.db2.gz ZJWNCEUTHNBUEM-UONOGXRCSA-N 1 2 336.436 0.455 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cn([C@H]3CCOC3)nn1)O2 ZINC001053688176 766593124 /nfs/dbraw/zinc/59/31/24/766593124.db2.gz LZDGJLYBHXTJBR-UONOGXRCSA-N 1 2 347.419 0.389 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001060420455 766599390 /nfs/dbraw/zinc/59/93/90/766599390.db2.gz QFKBMDKXTBMZLF-BMFZPTHFSA-N 1 2 346.431 0.898 20 30 ECEDLO C[C@H](CC(=O)NC[C@H](O)CNc1nccnc1C#N)n1cc[nH+]c1 ZINC001106132307 766615222 /nfs/dbraw/zinc/61/52/22/766615222.db2.gz YATDCYBODHTBGX-NEPJUHHUSA-N 1 2 329.364 0.085 20 30 ECEDLO CCn1ncnc1CN1CC[C@H]([NH+]2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001046011920 766637967 /nfs/dbraw/zinc/63/79/67/766637967.db2.gz IRBUKYARUUJLOB-GJZGRUSLSA-N 1 2 345.451 0.176 20 30 ECEDLO CCN1C[C@@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)CC1=O ZINC001031708408 766659236 /nfs/dbraw/zinc/65/92/36/766659236.db2.gz CCOMNBOKZIETOW-KRWDZBQOSA-N 1 2 340.427 0.975 20 30 ECEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001031711810 766690023 /nfs/dbraw/zinc/69/00/23/766690023.db2.gz LIDCDNIFCNLSKN-CYBMUJFWSA-N 1 2 329.828 0.282 20 30 ECEDLO Cc1[nH]nc(Cl)c1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046033549 766709783 /nfs/dbraw/zinc/70/97/83/766709783.db2.gz HKXSPXBHFLBFAE-LBPRGKRZSA-N 1 2 336.827 0.727 20 30 ECEDLO Cn1ccc(CCC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)n1 ZINC001046033794 766712055 /nfs/dbraw/zinc/71/20/55/766712055.db2.gz LJORPUPRXNGUSA-MRXNPFEDSA-N 1 2 330.436 0.095 20 30 ECEDLO COc1cnc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)c(F)c1 ZINC001046035231 766719944 /nfs/dbraw/zinc/71/99/44/766719944.db2.gz HLZUYLPOWGLJOT-ZDUSSCGKSA-N 1 2 347.394 0.585 20 30 ECEDLO CCc1c[nH]c(CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)n1 ZINC001046036122 766724209 /nfs/dbraw/zinc/72/42/09/766724209.db2.gz ASNACNRIFSLLGW-HNNXBMFYSA-N 1 2 330.436 0.257 20 30 ECEDLO CC(C)(C)n1cc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)nn1 ZINC001046035979 766724398 /nfs/dbraw/zinc/72/43/98/766724398.db2.gz XRTFFUFCPHQAEV-AWEZNQCLSA-N 1 2 345.451 0.389 20 30 ECEDLO Cc1ccncc1CC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046036306 766725828 /nfs/dbraw/zinc/72/58/28/766725828.db2.gz GBJYMYIMQLWKQI-KRWDZBQOSA-N 1 2 327.432 0.675 20 30 ECEDLO CCc1c(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)cnn1C ZINC001046042657 766756339 /nfs/dbraw/zinc/75/63/39/766756339.db2.gz KIZFFSFIQOIXPL-CQSZACIVSA-N 1 2 330.436 0.338 20 30 ECEDLO CCc1c(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)cnn1C ZINC001046042652 766756428 /nfs/dbraw/zinc/75/64/28/766756428.db2.gz KIZFFSFIQOIXPL-AWEZNQCLSA-N 1 2 330.436 0.338 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](OC)C3CCCC3)C2)nn1 ZINC001098779482 766761963 /nfs/dbraw/zinc/76/19/63/766761963.db2.gz HMJVVKOXXZKDAF-IRXDYDNUSA-N 1 2 345.447 0.980 20 30 ECEDLO Cn1cc(C[N@@H+]2CC[C@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@H]32)nn1 ZINC001042001465 782583037 /nfs/dbraw/zinc/58/30/37/782583037.db2.gz YQVIAPSFAYQVPP-XJKSGUPXSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1cc(C[N@H+]2CC[C@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@H]32)nn1 ZINC001042001465 782583045 /nfs/dbraw/zinc/58/30/45/782583045.db2.gz YQVIAPSFAYQVPP-XJKSGUPXSA-N 1 2 339.403 0.751 20 30 ECEDLO C[C@@H](C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1)c1cncnc1 ZINC001046054063 766798626 /nfs/dbraw/zinc/79/86/26/766798626.db2.gz HXHOBZLRBLAYEC-GDBMZVCRSA-N 1 2 328.420 0.322 20 30 ECEDLO CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC001089645466 766800763 /nfs/dbraw/zinc/80/07/63/766800763.db2.gz USKNGWGEITXJDL-CQSZACIVSA-N 1 2 326.462 0.661 20 30 ECEDLO CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC001089645466 766800773 /nfs/dbraw/zinc/80/07/73/766800773.db2.gz USKNGWGEITXJDL-CQSZACIVSA-N 1 2 326.462 0.661 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cnc4n3CCCC4)CC2)C1 ZINC001046055660 766805467 /nfs/dbraw/zinc/80/54/67/766805467.db2.gz HMIRSLZKVCCCDE-OAHLLOKOSA-N 1 2 342.447 0.575 20 30 ECEDLO CCn1nc(C)cc1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046064935 766846074 /nfs/dbraw/zinc/84/60/74/766846074.db2.gz BFHICSSKHCMHDH-OAHLLOKOSA-N 1 2 330.436 0.567 20 30 ECEDLO CCn1nc(C)cc1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046064934 766847060 /nfs/dbraw/zinc/84/70/60/766847060.db2.gz BFHICSSKHCMHDH-HNNXBMFYSA-N 1 2 330.436 0.567 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3csc4cncn43)CC2)C1 ZINC001046069179 766866228 /nfs/dbraw/zinc/86/62/28/766866228.db2.gz CCMMOGHZOUYAFR-CYBMUJFWSA-N 1 2 344.444 0.751 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3csc4cncn43)CC2)C1 ZINC001046069180 766868019 /nfs/dbraw/zinc/86/80/19/766868019.db2.gz CCMMOGHZOUYAFR-ZDUSSCGKSA-N 1 2 344.444 0.751 20 30 ECEDLO C#CCN1CC2(C1)C[C@@H](NC(=O)c1cc([C@@H]3CCC[N@H+]3C)n[nH]1)CO2 ZINC001053805203 766893794 /nfs/dbraw/zinc/89/37/94/766893794.db2.gz MSVPOVIFCAQMRH-CJNGLKHVSA-N 1 2 343.431 0.383 20 30 ECEDLO C#CCN1CC2(C1)C[C@@H](NC(=O)c1cc([C@@H]3CCC[N@@H+]3C)n[nH]1)CO2 ZINC001053805203 766893801 /nfs/dbraw/zinc/89/38/01/766893801.db2.gz MSVPOVIFCAQMRH-CJNGLKHVSA-N 1 2 343.431 0.383 20 30 ECEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@@H]2COC3(CN(CC#N)C3)C2)[nH]n1 ZINC001053805561 766894399 /nfs/dbraw/zinc/89/43/99/766894399.db2.gz UHTVJILYZMMPRH-WFASDCNBSA-N 1 2 344.419 0.273 20 30 ECEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@@H]2COC3(CN(CC#N)C3)C2)[nH]n1 ZINC001053805561 766894403 /nfs/dbraw/zinc/89/44/03/766894403.db2.gz UHTVJILYZMMPRH-WFASDCNBSA-N 1 2 344.419 0.273 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3c[nH]c4cccnc34)CC2)C1 ZINC001046076666 766904233 /nfs/dbraw/zinc/90/42/33/766904233.db2.gz OJMUBPLMYQXBQV-CQSZACIVSA-N 1 2 338.415 0.919 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cnn4c3CCCC4)CC2)C1 ZINC001046078952 766911769 /nfs/dbraw/zinc/91/17/69/766911769.db2.gz OAIFWBQFZJIDPS-HNNXBMFYSA-N 1 2 342.447 0.575 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cncnc3C3CC3)CC2)C1 ZINC001046081835 766920124 /nfs/dbraw/zinc/92/01/24/766920124.db2.gz PKMISFDQLNVVHX-HNNXBMFYSA-N 1 2 340.431 0.710 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1C[NH+](C[C@H](O)Cc2ccccc2)C1 ZINC001030977040 766950336 /nfs/dbraw/zinc/95/03/36/766950336.db2.gz AYHLEYWRDGDRKR-KURKYZTESA-N 1 2 330.428 0.982 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)NC1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000994845186 766954644 /nfs/dbraw/zinc/95/46/44/766954644.db2.gz NBMKUOQEKATMNY-UHFFFAOYSA-N 1 2 339.355 0.473 20 30 ECEDLO CCN(c1ccnc(C#N)n1)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001089667232 766964257 /nfs/dbraw/zinc/96/42/57/766964257.db2.gz AMFCIWBSHWKVJS-GFCCVEGCSA-N 1 2 327.392 0.655 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1nc(OC)cc(OC)n1)CO2 ZINC001053846963 767005678 /nfs/dbraw/zinc/00/56/78/767005678.db2.gz UHGXYMAKAZQVFI-GFCCVEGCSA-N 1 2 348.403 0.643 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cn3c(n1)COCC3)CO2 ZINC001053847287 767006656 /nfs/dbraw/zinc/00/66/56/767006656.db2.gz CIPLHZRWALKLHR-ZDUSSCGKSA-N 1 2 332.404 0.563 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC3N=NC(=O)N3C1)CO2 ZINC001053851006 767017716 /nfs/dbraw/zinc/01/77/16/767017716.db2.gz IOWGHTJQFHBHBD-STQMWFEESA-N 1 2 347.419 0.082 20 30 ECEDLO Cn1cc(C[N@@H+]2CC[C@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]32)nn1 ZINC001042016841 782604762 /nfs/dbraw/zinc/60/47/62/782604762.db2.gz VHNOGJBPLZMYLL-LRDDRELGSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1cc(C[N@H+]2CC[C@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]32)nn1 ZINC001042016841 782604766 /nfs/dbraw/zinc/60/47/66/782604766.db2.gz VHNOGJBPLZMYLL-LRDDRELGSA-N 1 2 339.403 0.751 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1c(C)nn(C)c1Cl)CO2 ZINC001053885089 767184709 /nfs/dbraw/zinc/18/47/09/767184709.db2.gz DMLFQOGRLOYEMN-LBPRGKRZSA-N 1 2 336.823 0.978 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1c(C)nn(C)c1C)CO2 ZINC001053885715 767189059 /nfs/dbraw/zinc/18/90/59/767189059.db2.gz VAIRNXJUGDJIHV-HNNXBMFYSA-N 1 2 330.432 0.562 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCC(=O)NC3)C2)cc1F ZINC001031803875 767240342 /nfs/dbraw/zinc/24/03/42/767240342.db2.gz NDCDKNUTJOTAIY-OAHLLOKOSA-N 1 2 344.390 0.772 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc3c(c1)ncn3C)CO2 ZINC001053890262 767240910 /nfs/dbraw/zinc/24/09/10/767240910.db2.gz FECBXQOYOYHFNZ-AWEZNQCLSA-N 1 2 339.399 0.565 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccn3nnnc3c1)CO2 ZINC001053890451 767241591 /nfs/dbraw/zinc/24/15/91/767241591.db2.gz HDSHIOBLQUTUQF-CYBMUJFWSA-N 1 2 328.376 0.274 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cncn1C)CO2 ZINC001053931042 767392192 /nfs/dbraw/zinc/39/21/92/767392192.db2.gz MPUSWYSLVNIVLO-RBSFLKMASA-N 1 2 328.416 0.506 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CO2 ZINC001053933983 767394748 /nfs/dbraw/zinc/39/47/48/767394748.db2.gz CHTGRVOQKULHAK-OWCLPIDISA-N 1 2 328.416 0.506 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)NC[C@H](O)CNc2ccc(C#N)cn2)c[nH+]1 ZINC001106158868 767409170 /nfs/dbraw/zinc/40/91/70/767409170.db2.gz BBAPVQATPHHNFV-CQSZACIVSA-N 1 2 342.403 0.783 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)NC[C@H](O)CNc2ccc(C#N)nc2)c[nH+]1 ZINC001106160094 767413191 /nfs/dbraw/zinc/41/31/91/767413191.db2.gz UOCFDINXURCRRA-OAHLLOKOSA-N 1 2 342.403 0.783 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)NC[C@H](O)CNc2ccncc2C#N)c[nH+]1 ZINC001106160222 767414346 /nfs/dbraw/zinc/41/43/46/767414346.db2.gz XZBVRKYHBGGAOK-CQSZACIVSA-N 1 2 342.403 0.204 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C)nc1OC)CO2 ZINC001053948933 767430482 /nfs/dbraw/zinc/43/04/82/767430482.db2.gz UXZXHYFEHCZDNS-AWEZNQCLSA-N 1 2 329.400 0.995 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1CCCCN1C(C)=O)CO2 ZINC001053951689 767437380 /nfs/dbraw/zinc/43/73/80/767437380.db2.gz CNJDRHYRSFIXRU-IRXDYDNUSA-N 1 2 347.459 0.760 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3cc(OC)no3)C2)nn1 ZINC001046680920 767470338 /nfs/dbraw/zinc/47/03/38/767470338.db2.gz IKIXISTZIWBFEF-INIZCTEOSA-N 1 2 346.391 0.855 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@H+](Cc3cc(OC)no3)C2)nn1 ZINC001046680920 767470342 /nfs/dbraw/zinc/47/03/42/767470342.db2.gz IKIXISTZIWBFEF-INIZCTEOSA-N 1 2 346.391 0.855 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3cnc(C)nc3)C2)nn1 ZINC001046681487 767471201 /nfs/dbraw/zinc/47/12/01/767471201.db2.gz NUHQAOFTMBFKIK-KRWDZBQOSA-N 1 2 341.419 0.957 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@]2(C)CC[N@H+](Cc3cnc(C)nc3)C2)nn1 ZINC001046681487 767471203 /nfs/dbraw/zinc/47/12/03/767471203.db2.gz NUHQAOFTMBFKIK-KRWDZBQOSA-N 1 2 341.419 0.957 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C(=O)NC)nc1)CO2 ZINC001053984933 767532748 /nfs/dbraw/zinc/53/27/48/767532748.db2.gz GTCDISDCGXJGSY-CQSZACIVSA-N 1 2 342.399 0.038 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@@H]1COC2(C[NH+](CCOC)C2)C1 ZINC001053993610 767549130 /nfs/dbraw/zinc/54/91/30/767549130.db2.gz PWOQSWFDRWLJTN-KRWDZBQOSA-N 1 2 328.412 0.816 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1csc(COC)n1)CO2 ZINC001054021712 767617178 /nfs/dbraw/zinc/61/71/78/767617178.db2.gz SHLYSKPBOSKQHP-GFCCVEGCSA-N 1 2 335.429 0.886 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cccnc1C(N)=O ZINC001054059538 767657210 /nfs/dbraw/zinc/65/72/10/767657210.db2.gz ROXRAWZBPBBFET-MRXNPFEDSA-N 1 2 348.406 0.970 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cccnc1C(N)=O ZINC001054059538 767657216 /nfs/dbraw/zinc/65/72/16/767657216.db2.gz ROXRAWZBPBBFET-MRXNPFEDSA-N 1 2 348.406 0.970 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)NC[C@@H](O)CNc1cccc(F)c1C#N ZINC001106185368 767769295 /nfs/dbraw/zinc/76/92/95/767769295.db2.gz XTDSUYRFPUXHNA-LBPRGKRZSA-N 1 2 345.378 0.953 20 30 ECEDLO CN(CCOCCNc1ncccc1C#N)C(=O)Cc1c[nH+]cn1C ZINC001127346870 768370373 /nfs/dbraw/zinc/37/03/73/768370373.db2.gz HCJOPVXNBLJDNR-UHFFFAOYSA-N 1 2 342.403 0.816 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@@H+]1Cc1cnnn1C ZINC000993207097 768488275 /nfs/dbraw/zinc/48/82/75/768488275.db2.gz LJPMIKQFUOIACP-SMDDNHRTSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@H+]1Cc1cnnn1C ZINC000993207097 768488280 /nfs/dbraw/zinc/48/82/80/768488280.db2.gz LJPMIKQFUOIACP-SMDDNHRTSA-N 1 2 327.392 0.798 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)c[nH]c1CC(N)=O ZINC001017976293 768573769 /nfs/dbraw/zinc/57/37/69/768573769.db2.gz ONMLLGSRWBJKFG-OKILXGFUSA-N 1 2 328.416 0.663 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)c[nH]c1CC(N)=O ZINC001017976293 768573775 /nfs/dbraw/zinc/57/37/75/768573775.db2.gz ONMLLGSRWBJKFG-OKILXGFUSA-N 1 2 328.416 0.663 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)c(C(N)=O)cn1 ZINC001017977809 768575471 /nfs/dbraw/zinc/57/54/71/768575471.db2.gz INUDDJWOMZTXIL-OKILXGFUSA-N 1 2 326.400 0.801 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)c(C(N)=O)cn1 ZINC001017977809 768575476 /nfs/dbraw/zinc/57/54/76/768575476.db2.gz INUDDJWOMZTXIL-OKILXGFUSA-N 1 2 326.400 0.801 20 30 ECEDLO C[C@@H]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001018091264 768710610 /nfs/dbraw/zinc/71/06/10/768710610.db2.gz GCLKRNZKLNTFHY-YPMHNXCESA-N 1 2 340.387 0.961 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001055379867 768837694 /nfs/dbraw/zinc/83/76/94/768837694.db2.gz WQQROOORTPKROC-MELADBBJSA-N 1 2 332.404 0.460 20 30 ECEDLO COc1ccc(CN2CC(NC(=O)Cc3c[nH+]cn3C)C2)cc1C#N ZINC001031260188 768980664 /nfs/dbraw/zinc/98/06/64/768980664.db2.gz NAVGANNPTNAUDW-UHFFFAOYSA-N 1 2 339.399 0.843 20 30 ECEDLO C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)CN1C(=O)C#CC1CC1 ZINC001018276737 769019647 /nfs/dbraw/zinc/01/96/47/769019647.db2.gz PREFGZSTWHPLSR-UKRRQHHQSA-N 1 2 328.416 0.872 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2CCOCC2=O)[C@@H]1C ZINC000993425543 769048275 /nfs/dbraw/zinc/04/82/75/769048275.db2.gz OWNIXJIHBSGKLD-QWHCGFSZSA-N 1 2 329.828 0.567 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CN2CCOCC2=O)[C@@H]1C ZINC000993425543 769048285 /nfs/dbraw/zinc/04/82/85/769048285.db2.gz OWNIXJIHBSGKLD-QWHCGFSZSA-N 1 2 329.828 0.567 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2nnc(C)n2C1 ZINC001018299731 769054276 /nfs/dbraw/zinc/05/42/76/769054276.db2.gz RUFYYPXEOWUMMY-HRCADAONSA-N 1 2 327.432 0.847 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2nnc(C)n2C1 ZINC001018299731 769054288 /nfs/dbraw/zinc/05/42/88/769054288.db2.gz RUFYYPXEOWUMMY-HRCADAONSA-N 1 2 327.432 0.847 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@H]3CCCOC3)C2)CC1 ZINC001018353820 769168308 /nfs/dbraw/zinc/16/83/08/769168308.db2.gz GIQFEUQZUSPXQM-SJORKVTESA-N 1 2 349.475 0.982 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3cnsn3)C2)CC1 ZINC001018359191 769188728 /nfs/dbraw/zinc/18/87/28/769188728.db2.gz BTIBOFNOFJJJRS-ZDUSSCGKSA-N 1 2 349.460 0.721 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cc(C)n[nH]3)C2)CC1 ZINC001018359851 769190580 /nfs/dbraw/zinc/19/05/80/769190580.db2.gz MFGMXIOXKZREQC-OAHLLOKOSA-N 1 2 345.447 0.901 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cc(C)[nH]n3)C2)CC1 ZINC001018359851 769190584 /nfs/dbraw/zinc/19/05/84/769190584.db2.gz MFGMXIOXKZREQC-OAHLLOKOSA-N 1 2 345.447 0.901 20 30 ECEDLO C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001018361789 769196617 /nfs/dbraw/zinc/19/66/17/769196617.db2.gz ILPSLCFNJYBJTH-DGCLKSJQSA-N 1 2 340.387 0.961 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)Cc3cc[nH]n3)C2)CC1 ZINC001018362178 769197700 /nfs/dbraw/zinc/19/77/00/769197700.db2.gz CIHLCCIUYKNSOO-HNNXBMFYSA-N 1 2 345.447 0.521 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NC1CC[NH+](CCNC(=O)c2ncn[nH]2)CC1 ZINC001055614496 769259917 /nfs/dbraw/zinc/25/99/17/769259917.db2.gz WFQMNDXXYYWUDH-KRWDZBQOSA-N 1 2 348.451 0.717 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2nnn(C)n2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993684613 769477063 /nfs/dbraw/zinc/47/70/63/769477063.db2.gz CTINXUAXQSGMTE-WFASDCNBSA-N 1 2 339.403 0.865 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2nnn(C)n2)CCC[N@H+]1Cc1ccccc1C#N ZINC000993684613 769477074 /nfs/dbraw/zinc/47/70/74/769477074.db2.gz CTINXUAXQSGMTE-WFASDCNBSA-N 1 2 339.403 0.865 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2nc(C3CC3)no2)C1 ZINC001078358260 782767296 /nfs/dbraw/zinc/76/72/96/782767296.db2.gz MZGMTFUVOIIUHC-DGCLKSJQSA-N 1 2 333.392 0.814 20 30 ECEDLO C#CCCCCC(=O)N[C@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001055895618 770126121 /nfs/dbraw/zinc/12/61/21/770126121.db2.gz XLXIOKAMQFQWKP-GOSISDBHSA-N 1 2 346.431 0.546 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@](CO)(NC(=O)C#CC2CC2)C1 ZINC001055938528 770290823 /nfs/dbraw/zinc/29/08/23/770290823.db2.gz HDZJIDQDSMXHIV-SFHVURJKSA-N 1 2 344.415 0.144 20 30 ECEDLO N#Cc1nccnc1N1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001055940825 770300896 /nfs/dbraw/zinc/30/08/96/770300896.db2.gz SPRYGIGVIRLUCB-ZDUSSCGKSA-N 1 2 337.387 0.456 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CCC[N@@H+](CC(=O)NC)[C@H]1C ZINC000994207741 770304759 /nfs/dbraw/zinc/30/47/59/770304759.db2.gz SQUVMPSGHBPPOJ-KBPBESRZSA-N 1 2 346.431 0.975 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CCC[N@H+](CC(=O)NC)[C@H]1C ZINC000994207741 770304767 /nfs/dbraw/zinc/30/47/67/770304767.db2.gz SQUVMPSGHBPPOJ-KBPBESRZSA-N 1 2 346.431 0.975 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=O)NC3CC3)[C@H]2C)cn1 ZINC000994247920 770422479 /nfs/dbraw/zinc/42/24/79/770422479.db2.gz HALTYUSLELUSQG-GUYCJALGSA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NC3CC3)[C@H]2C)cn1 ZINC000994247920 770422484 /nfs/dbraw/zinc/42/24/84/770422484.db2.gz HALTYUSLELUSQG-GUYCJALGSA-N 1 2 340.427 0.924 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN(c2cnc(C#N)cn2)CC1 ZINC001056025106 770600248 /nfs/dbraw/zinc/60/02/48/770600248.db2.gz WZCFQPDHYPSQGL-ZIAGYGMSSA-N 1 2 337.387 0.534 20 30 ECEDLO CC#CCCCC(=O)N[C@@]1(CO)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001056061122 770711618 /nfs/dbraw/zinc/71/16/18/770711618.db2.gz BYDBZAVKSBCCCN-SFHVURJKSA-N 1 2 346.431 0.616 20 30 ECEDLO C#CCCCC(=O)N1CCC[C@](CO)(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001056080771 770781538 /nfs/dbraw/zinc/78/15/38/770781538.db2.gz XWUDQXWHBNOYKN-KRWDZBQOSA-N 1 2 332.404 0.225 20 30 ECEDLO O=C(CC1=CCOCC1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083754442 770908631 /nfs/dbraw/zinc/90/86/31/770908631.db2.gz RFYJWBGKYMDZAB-MOPGFXCFSA-N 1 2 340.423 0.936 20 30 ECEDLO O=C(CC1=CCOCC1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083754442 770908637 /nfs/dbraw/zinc/90/86/37/770908637.db2.gz RFYJWBGKYMDZAB-MOPGFXCFSA-N 1 2 340.423 0.936 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(CC)C3=O)C[C@@H]2O)CC1 ZINC001083754685 770934523 /nfs/dbraw/zinc/93/45/23/770934523.db2.gz IZJJYOMDYYLBBI-OAGGEKHMSA-N 1 2 335.448 0.515 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(CC)C3=O)C[C@@H]2O)CC1 ZINC001083754685 770934531 /nfs/dbraw/zinc/93/45/31/770934531.db2.gz IZJJYOMDYYLBBI-OAGGEKHMSA-N 1 2 335.448 0.515 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CCC3(CN(C(=O)Cn4cc[nH+]c4)C3)C2)c1 ZINC001019155624 770948933 /nfs/dbraw/zinc/94/89/33/770948933.db2.gz RWAYTOYKYVDVGG-UHFFFAOYSA-N 1 2 338.371 0.458 20 30 ECEDLO N#Cc1nccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC001056330067 771135744 /nfs/dbraw/zinc/13/57/44/771135744.db2.gz IJVMZSLHHQBMRV-FJZAXULXSA-N 1 2 349.398 0.358 20 30 ECEDLO N#Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCn3cc[nH+]c3C2)nc1 ZINC001056333555 771139654 /nfs/dbraw/zinc/13/96/54/771139654.db2.gz MSURYAWZCNTHLI-BSXFFOKHSA-N 1 2 348.410 0.963 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]([NH2+]Cc2nc(CC(=O)NC)no2)C1 ZINC001019334530 771173502 /nfs/dbraw/zinc/17/35/02/771173502.db2.gz RPKFBUZCDWLTPX-YVEFUNNKSA-N 1 2 349.435 0.651 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001056456209 771287140 /nfs/dbraw/zinc/28/71/40/771287140.db2.gz NNNKHINZDYGJRM-BZUAXINKSA-N 1 2 344.415 0.513 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001019457672 771316877 /nfs/dbraw/zinc/31/68/77/771316877.db2.gz WUOISFHYWHMAII-KGLIPLIRSA-N 1 2 344.415 0.604 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056574802 771396018 /nfs/dbraw/zinc/39/60/18/771396018.db2.gz NPLDCHOCKKKTHA-HZPDHXFCSA-N 1 2 344.415 0.584 20 30 ECEDLO COc1cncc(C[NH+]2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001031604648 771396975 /nfs/dbraw/zinc/39/69/75/771396975.db2.gz PZJJMWKMKMIZOZ-UHFFFAOYSA-N 1 2 326.360 0.547 20 30 ECEDLO N#Cc1cnccc1N1CCCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001089549028 771456008 /nfs/dbraw/zinc/45/60/08/771456008.db2.gz QDHSKLSKBITVRX-AWEZNQCLSA-N 1 2 340.387 0.631 20 30 ECEDLO N#Cc1cc(C(=O)NCC2C[NH+](CC(=O)N3CCCCC3)C2)c[nH]1 ZINC001031621531 771480739 /nfs/dbraw/zinc/48/07/39/771480739.db2.gz KTMMUJNWWDSQTL-UHFFFAOYSA-N 1 2 329.404 0.560 20 30 ECEDLO N#Cc1nccc(N2CCCO[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001089558058 771487387 /nfs/dbraw/zinc/48/73/87/771487387.db2.gz IDAXGWXXENSIEV-ZDUSSCGKSA-N 1 2 341.375 0.026 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001056682535 771509733 /nfs/dbraw/zinc/50/97/33/771509733.db2.gz DFINSUZCUCADEG-HDMKZQKVSA-N 1 2 346.431 0.660 20 30 ECEDLO C=CCCOCC(=O)N1C[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001056707483 771538259 /nfs/dbraw/zinc/53/82/59/771538259.db2.gz MUVCLGBKBPIMDA-LSDHHAIUSA-N 1 2 346.431 0.994 20 30 ECEDLO Cc1cc(C#N)nc(N(C)[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC001056935061 771827047 /nfs/dbraw/zinc/82/70/47/771827047.db2.gz DABHUKVPQBUUJL-CQSZACIVSA-N 1 2 325.376 0.591 20 30 ECEDLO CCc1nc(C#N)cc(N(C)[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC001056935864 771828367 /nfs/dbraw/zinc/82/83/67/771828367.db2.gz REDROOAPUIJSMN-AWEZNQCLSA-N 1 2 339.403 0.844 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](N(C)c2cnc(C#N)cn2)C1 ZINC001056949405 771853048 /nfs/dbraw/zinc/85/30/48/771853048.db2.gz KLBYMCPMDCORBL-ZDUSSCGKSA-N 1 2 325.376 0.660 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](N(C)c2cncc(C#N)n2)C1 ZINC001056949623 771853641 /nfs/dbraw/zinc/85/36/41/771853641.db2.gz QIDIOMGFOMSUIT-ZDUSSCGKSA-N 1 2 325.376 0.660 20 30 ECEDLO CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001056997661 771924516 /nfs/dbraw/zinc/92/45/16/771924516.db2.gz HELQNSXDSHSVQZ-CYBMUJFWSA-N 1 2 325.376 0.672 20 30 ECEDLO CCc1nc(C#N)cc(N(C)[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)n1 ZINC001057038330 771980114 /nfs/dbraw/zinc/98/01/14/771980114.db2.gz GTUXKNACHVRYLY-AWEZNQCLSA-N 1 2 339.403 0.914 20 30 ECEDLO O=C(C#CC1CC1)N1CCO[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001019894023 771981351 /nfs/dbraw/zinc/98/13/51/771981351.db2.gz QQHIGRVEJUBIGM-JKSUJKDBSA-N 1 2 342.399 0.125 20 30 ECEDLO CN(c1nccnc1C#N)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001057074827 772041742 /nfs/dbraw/zinc/04/17/42/772041742.db2.gz UHTNPAJMWSJJPL-ZDUSSCGKSA-N 1 2 339.403 0.752 20 30 ECEDLO N#Cc1cncc(N2CCCN(C(=O)CCc3[nH]cc[nH+]3)CC2)n1 ZINC001057134199 772140255 /nfs/dbraw/zinc/14/02/55/772140255.db2.gz LOYKWYVWFIASBG-UHFFFAOYSA-N 1 2 325.376 0.743 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCCN(c2cnc(C#N)cn2)CC1 ZINC001057157273 772188108 /nfs/dbraw/zinc/18/81/08/772188108.db2.gz BPLXEHBOXRJDSY-UHFFFAOYSA-N 1 2 325.376 0.363 20 30 ECEDLO C#CCCCCC(=O)N(CCO)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001057387336 772553985 /nfs/dbraw/zinc/55/39/85/772553985.db2.gz BVZGICDJBRZTNJ-UHFFFAOYSA-N 1 2 334.420 0.473 20 30 ECEDLO C#CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001057446874 772623840 /nfs/dbraw/zinc/62/38/40/772623840.db2.gz LPYWHSNAUOLZQC-OAHLLOKOSA-N 1 2 346.431 0.186 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)CCc1[nH]cc[nH+]1 ZINC001057460235 772646792 /nfs/dbraw/zinc/64/67/92/772646792.db2.gz VLZJQQAOHNFMLQ-UHFFFAOYSA-N 1 2 336.436 0.882 20 30 ECEDLO N#Cc1nccc(NCC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC001057511532 772702021 /nfs/dbraw/zinc/70/20/21/772702021.db2.gz IUXODIQRBQNFCG-UHFFFAOYSA-N 1 2 325.376 0.386 20 30 ECEDLO CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001057524672 772716785 /nfs/dbraw/zinc/71/67/85/772716785.db2.gz MJPPDOHKHKVFKY-HNNXBMFYSA-N 1 2 346.431 0.042 20 30 ECEDLO C=CCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001057950589 773262981 /nfs/dbraw/zinc/26/29/81/773262981.db2.gz DHVFVIYDTQFOQJ-CQSZACIVSA-N 1 2 348.447 0.726 20 30 ECEDLO C=CCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001057950589 773262989 /nfs/dbraw/zinc/26/29/89/773262989.db2.gz DHVFVIYDTQFOQJ-CQSZACIVSA-N 1 2 348.447 0.726 20 30 ECEDLO Cc1cc(C#N)nc(N2CCC(NC(=O)Cc3c[nH]c[nH+]3)CC2)n1 ZINC001057959502 773286612 /nfs/dbraw/zinc/28/66/12/773286612.db2.gz HUKSVIIEIWOTER-UHFFFAOYSA-N 1 2 325.376 0.708 20 30 ECEDLO C=CCCC1(C(=O)NCCN(CCO)C(=O)CCn2cc[nH+]c2)CC1 ZINC001058200347 773756874 /nfs/dbraw/zinc/75/68/74/773756874.db2.gz BKUOCFDMZCKSKZ-UHFFFAOYSA-N 1 2 348.447 0.957 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)CCn1cc[nH+]c1 ZINC001058200818 773759251 /nfs/dbraw/zinc/75/92/51/773759251.db2.gz WHZOWNIIBBDDSR-OAHLLOKOSA-N 1 2 336.436 0.813 20 30 ECEDLO CCc1nc(C#N)cc(N2CCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001058247186 773836216 /nfs/dbraw/zinc/83/62/16/773836216.db2.gz LMWYPEYQCUOUFA-GFCCVEGCSA-N 1 2 339.403 0.961 20 30 ECEDLO C=C[C@H](CC)CC(=O)NC[C@]1(O)CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001040628856 783133001 /nfs/dbraw/zinc/13/30/01/783133001.db2.gz CKNIKAWINZMWER-RDTXWAMCSA-N 1 2 348.447 0.943 20 30 ECEDLO C#CCCCCCC(=O)N(CCO)CCNC(=O)Cn1cc[nH+]c1 ZINC001058308961 773948043 /nfs/dbraw/zinc/94/80/43/773948043.db2.gz KYIQFBDPHHOODO-UHFFFAOYSA-N 1 2 334.420 0.404 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCN1C(=O)CNC1=O ZINC001039820325 783150288 /nfs/dbraw/zinc/15/02/88/783150288.db2.gz DLQKIEICFBLNSE-OKILXGFUSA-N 1 2 348.447 0.816 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCN1C(=O)CNC1=O ZINC001039820325 783150293 /nfs/dbraw/zinc/15/02/93/783150293.db2.gz DLQKIEICFBLNSE-OKILXGFUSA-N 1 2 348.447 0.816 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)CCn1cc[nH+]c1 ZINC001058437362 774177469 /nfs/dbraw/zinc/17/74/69/774177469.db2.gz BTNNFIGPWDWNCE-CABCVRRESA-N 1 2 336.436 0.669 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001058437702 774178476 /nfs/dbraw/zinc/17/84/76/774178476.db2.gz JBVIQZSKUUMUQT-KGLIPLIRSA-N 1 2 336.436 0.738 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)N(CCO)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001058437702 774178478 /nfs/dbraw/zinc/17/84/78/774178478.db2.gz JBVIQZSKUUMUQT-KGLIPLIRSA-N 1 2 336.436 0.738 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N(CCO)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001058466429 774239569 /nfs/dbraw/zinc/23/95/69/774239569.db2.gz NZDCMEFYWOATBW-CQSZACIVSA-N 1 2 336.436 0.882 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N(CCO)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001058466429 774239572 /nfs/dbraw/zinc/23/95/72/774239572.db2.gz NZDCMEFYWOATBW-CQSZACIVSA-N 1 2 336.436 0.882 20 30 ECEDLO N#Cc1nccnc1N1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001058475017 774257662 /nfs/dbraw/zinc/25/76/62/774257662.db2.gz YGYUPXXBPXVIDN-CHWSQXEVSA-N 1 2 337.387 0.502 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(c2ccnc(C#N)n2)C1 ZINC001058548495 774412822 /nfs/dbraw/zinc/41/28/22/774412822.db2.gz QBWKUMYREYGBAY-YNEHKIRRSA-N 1 2 337.387 0.580 20 30 ECEDLO CCc1nc(C#N)cc(N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001058562537 774440967 /nfs/dbraw/zinc/44/09/67/774440967.db2.gz MIXYGIQYGOUQAY-NSHDSACASA-N 1 2 325.376 0.571 20 30 ECEDLO C=CC[NH2+][C@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H](C)C1 ZINC001044778566 774602360 /nfs/dbraw/zinc/60/23/60/774602360.db2.gz ZQERHLWHERMUIF-NEPJUHHUSA-N 1 2 330.392 0.226 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001044979208 774792547 /nfs/dbraw/zinc/79/25/47/774792547.db2.gz DDUOKDARLRSDRQ-KGLIPLIRSA-N 1 2 348.447 0.500 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001045059015 774911083 /nfs/dbraw/zinc/91/10/83/774911083.db2.gz KXNFYPZQTZHUQD-CYBMUJFWSA-N 1 2 334.420 0.254 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CN(c3cnc(C#N)cn3)C[C@H]21 ZINC001040674265 783231327 /nfs/dbraw/zinc/23/13/27/783231327.db2.gz SACKFLAPZOZQOT-SWLSCSKDSA-N 1 2 337.387 0.362 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)CCO2 ZINC001068470114 790337024 /nfs/dbraw/zinc/33/70/24/790337024.db2.gz NROLREYQHFSGIS-ZIAGYGMSSA-N 1 2 346.431 0.850 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ncn(C(C)(C)C)n2)[C@@H](n2ccnn2)C1 ZINC001070025888 790368615 /nfs/dbraw/zinc/36/86/15/790368615.db2.gz PNGMSNIKGBAWGL-OLZOCXBDSA-N 1 2 344.423 0.466 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ncn(C(C)(C)C)n2)[C@@H](n2ccnn2)C1 ZINC001070025888 790368622 /nfs/dbraw/zinc/36/86/22/790368622.db2.gz PNGMSNIKGBAWGL-OLZOCXBDSA-N 1 2 344.423 0.466 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(C#N)n1 ZINC001045534379 775753418 /nfs/dbraw/zinc/75/34/18/775753418.db2.gz MAEYFUWAHYJSMA-ZIAGYGMSSA-N 1 2 339.403 0.586 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)[C@@H](n2ccnn2)C1 ZINC001070033750 790397153 /nfs/dbraw/zinc/39/71/53/790397153.db2.gz GIFHZVJHZWQJIS-HZMVEIRTSA-N 1 2 336.399 0.452 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)[C@@H](n2ccnn2)C1 ZINC001070033750 790397164 /nfs/dbraw/zinc/39/71/64/790397164.db2.gz GIFHZVJHZWQJIS-HZMVEIRTSA-N 1 2 336.399 0.452 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cncc(Cl)c2)[C@@H](n2ccnn2)C1 ZINC001070051653 790456791 /nfs/dbraw/zinc/45/67/91/790456791.db2.gz IOFYTQLIMDAEJK-KGLIPLIRSA-N 1 2 330.779 0.615 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cncc(Cl)c2)[C@@H](n2ccnn2)C1 ZINC001070051653 790456795 /nfs/dbraw/zinc/45/67/95/790456795.db2.gz IOFYTQLIMDAEJK-KGLIPLIRSA-N 1 2 330.779 0.615 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(OC)c2F)[C@@H](n2ccnn2)C1 ZINC001070061497 790480193 /nfs/dbraw/zinc/48/01/93/790480193.db2.gz JAWUIBKWIDMLTM-KGLIPLIRSA-N 1 2 343.362 0.714 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(OC)c2F)[C@@H](n2ccnn2)C1 ZINC001070061497 790480200 /nfs/dbraw/zinc/48/02/00/790480200.db2.gz JAWUIBKWIDMLTM-KGLIPLIRSA-N 1 2 343.362 0.714 20 30 ECEDLO CCN(C(=O)[C@@H](C1CC1)[NH+]1CCOCC1)C1CN(C(=O)[C@H](C)C#N)C1 ZINC001079868340 777001676 /nfs/dbraw/zinc/00/16/76/777001676.db2.gz JYDQPJFSOHMTAT-CZUORRHYSA-N 1 2 348.447 0.316 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2ccccc2F)[C@@H](n2ccnn2)C1 ZINC001070088371 790563076 /nfs/dbraw/zinc/56/30/76/790563076.db2.gz ZAIIZGQBQGUEAS-CVEARBPZSA-N 1 2 327.363 0.635 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2ccccc2F)[C@@H](n2ccnn2)C1 ZINC001070088371 790563080 /nfs/dbraw/zinc/56/30/80/790563080.db2.gz ZAIIZGQBQGUEAS-CVEARBPZSA-N 1 2 327.363 0.635 20 30 ECEDLO CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001080418811 777824390 /nfs/dbraw/zinc/82/43/90/777824390.db2.gz ZWQPXMTWADBZNQ-CZUORRHYSA-N 1 2 348.447 0.316 20 30 ECEDLO C#CCCCC(=O)NC[C@H]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)O1 ZINC001068562194 790571712 /nfs/dbraw/zinc/57/17/12/790571712.db2.gz AOQNLGNTVYNWIM-CQSZACIVSA-N 1 2 344.415 0.632 20 30 ECEDLO CC(C)C#CC(=O)NC[C@@H]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)O1 ZINC001068569499 790596140 /nfs/dbraw/zinc/59/61/40/790596140.db2.gz VZNHBEQUQLDHEV-HNNXBMFYSA-N 1 2 344.415 0.419 20 30 ECEDLO CC(C)C#CC(=O)NC[C@H]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)O1 ZINC001068571724 790603583 /nfs/dbraw/zinc/60/35/83/790603583.db2.gz TZCVHNQQVYANBR-OAHLLOKOSA-N 1 2 344.415 0.488 20 30 ECEDLO Cc1cc(C#N)nc(N[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)n1 ZINC001043542077 778497286 /nfs/dbraw/zinc/49/72/86/778497286.db2.gz QPKAZBLYLUCRCY-QMTHXVAHSA-N 1 2 325.376 0.881 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001043620834 778608143 /nfs/dbraw/zinc/60/81/43/778608143.db2.gz CRLHWADRYZZCOO-ZDUSSCGKSA-N 1 2 346.431 0.347 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)NCC2(O)CN(C(=O)C#CC(C)C)C2)c[nH+]1 ZINC001043671693 778696234 /nfs/dbraw/zinc/69/62/34/778696234.db2.gz XFQVHLDAGBGHJR-UHFFFAOYSA-N 1 2 346.431 0.276 20 30 ECEDLO C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001078522676 780081240 /nfs/dbraw/zinc/08/12/40/780081240.db2.gz YKAWLLUPULRDQS-BFHYXJOUSA-N 1 2 334.420 0.737 20 30 ECEDLO C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001042661689 780604939 /nfs/dbraw/zinc/60/49/39/780604939.db2.gz YNLFLMVRRBJUMW-ZIAGYGMSSA-N 1 2 344.415 0.396 20 30 ECEDLO C#CCCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001042661689 780604944 /nfs/dbraw/zinc/60/49/44/780604944.db2.gz YNLFLMVRRBJUMW-ZIAGYGMSSA-N 1 2 344.415 0.396 20 30 ECEDLO C#CCCCC(=O)NCC1(O)CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001042798884 780838774 /nfs/dbraw/zinc/83/87/74/780838774.db2.gz FJSUGWVKPRULJJ-UHFFFAOYSA-N 1 2 332.404 0.180 20 30 ECEDLO CO[C@@H]1CN(c2cc(C)ncc2C#N)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001042872489 780972957 /nfs/dbraw/zinc/97/29/57/780972957.db2.gz ODXCNRHQJOEFMP-UKRRQHHQSA-N 1 2 340.387 0.547 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cccc(F)n2)C[C@H]1OC ZINC001043017673 781188174 /nfs/dbraw/zinc/18/81/74/781188174.db2.gz HLEIOPSVGVLVFI-QLFBSQMISA-N 1 2 346.406 0.638 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cccc(F)n2)C[C@H]1OC ZINC001043017673 781188181 /nfs/dbraw/zinc/18/81/81/781188181.db2.gz HLEIOPSVGVLVFI-QLFBSQMISA-N 1 2 346.406 0.638 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C)CCCCC3)C2)C1=O ZINC001077617722 781360209 /nfs/dbraw/zinc/36/02/09/781360209.db2.gz HTMHIMURZKRODW-BZUAXINKSA-N 1 2 349.475 0.905 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C)CCCCC3)C2)C1=O ZINC001077617722 781360219 /nfs/dbraw/zinc/36/02/19/781360219.db2.gz HTMHIMURZKRODW-BZUAXINKSA-N 1 2 349.475 0.905 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(OC)n2)C[C@H]1O ZINC001077694440 781530157 /nfs/dbraw/zinc/53/01/57/781530157.db2.gz SDBSEVYIAVDJPT-FPCVCCKLSA-N 1 2 347.415 0.343 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(OC)n2)C[C@H]1O ZINC001077694440 781530159 /nfs/dbraw/zinc/53/01/59/781530159.db2.gz SDBSEVYIAVDJPT-FPCVCCKLSA-N 1 2 347.415 0.343 20 30 ECEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)O1 ZINC001077700982 781542865 /nfs/dbraw/zinc/54/28/65/781542865.db2.gz BGXSBDKDPFWPHQ-VDHUWJSZSA-N 1 2 328.412 0.767 20 30 ECEDLO C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)O1 ZINC001077700982 781542873 /nfs/dbraw/zinc/54/28/73/781542873.db2.gz BGXSBDKDPFWPHQ-VDHUWJSZSA-N 1 2 328.412 0.767 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCO[C@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC001041483059 781606088 /nfs/dbraw/zinc/60/60/88/781606088.db2.gz PNHKYVZLLWIJBR-NWDGAFQWSA-N 1 2 343.391 0.552 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001077813710 781745078 /nfs/dbraw/zinc/74/50/78/781745078.db2.gz YMJABLDCYDXLHU-IMJJTQAJSA-N 1 2 348.447 0.955 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccsc3)C[C@H]2O)nn1 ZINC001077813985 781745669 /nfs/dbraw/zinc/74/56/69/781745669.db2.gz NCSGAZCRQLPEEV-UKRRQHHQSA-N 1 2 347.444 0.891 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccsc3)C[C@H]2O)nn1 ZINC001077813985 781745672 /nfs/dbraw/zinc/74/56/72/781745672.db2.gz NCSGAZCRQLPEEV-UKRRQHHQSA-N 1 2 347.444 0.891 20 30 ECEDLO CC(C)C#CC(=O)NCC1(NC(=O)CCn2cc[nH+]c2)CCOCC1 ZINC001070177455 783603741 /nfs/dbraw/zinc/60/37/41/783603741.db2.gz WVDYFCWLFDSXOT-UHFFFAOYSA-N 1 2 346.431 0.714 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)c2cnn(C)c2C)C1=O ZINC001038066994 783810893 /nfs/dbraw/zinc/81/08/93/783810893.db2.gz BLLUIZAPYOKMNT-UKRRQHHQSA-N 1 2 331.420 0.320 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)c2cnn(C)c2C)C1=O ZINC001038066994 783810898 /nfs/dbraw/zinc/81/08/98/783810898.db2.gz BLLUIZAPYOKMNT-UKRRQHHQSA-N 1 2 331.420 0.320 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)c2cnccc2C)C1=O ZINC001038135859 783901369 /nfs/dbraw/zinc/90/13/69/783901369.db2.gz DXSMIGFTCCFWLJ-ZBFHGGJFSA-N 1 2 328.416 0.981 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)c2cnccc2C)C1=O ZINC001038135859 783901372 /nfs/dbraw/zinc/90/13/72/783901372.db2.gz DXSMIGFTCCFWLJ-ZBFHGGJFSA-N 1 2 328.416 0.981 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001038177866 783956242 /nfs/dbraw/zinc/95/62/42/783956242.db2.gz PMMWJMVVEOFGDF-IUODEOHRSA-N 1 2 334.445 0.641 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001038177866 783956250 /nfs/dbraw/zinc/95/62/50/783956250.db2.gz PMMWJMVVEOFGDF-IUODEOHRSA-N 1 2 334.445 0.641 20 30 ECEDLO CC(=O)N1CC(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)C1 ZINC001038192224 783977147 /nfs/dbraw/zinc/97/71/47/783977147.db2.gz MVYXOANIANXQBR-CYBMUJFWSA-N 1 2 332.429 0.789 20 30 ECEDLO CC(=O)N1CC(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)C1 ZINC001038192224 783977155 /nfs/dbraw/zinc/97/71/55/783977155.db2.gz MVYXOANIANXQBR-CYBMUJFWSA-N 1 2 332.429 0.789 20 30 ECEDLO C#CCC[NH+]1CC2(C1)CN(C(=O)c1cc[nH]n1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070441011 784080765 /nfs/dbraw/zinc/08/07/65/784080765.db2.gz OUOZMOBUFMOALP-CYBMUJFWSA-N 1 2 339.403 0.401 20 30 ECEDLO C#CCC[NH+]1CC2(C1)CN(C(=O)c1ccn[nH]1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070441011 784080768 /nfs/dbraw/zinc/08/07/68/784080768.db2.gz OUOZMOBUFMOALP-CYBMUJFWSA-N 1 2 339.403 0.401 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)C[C@H]1CCCO1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070441259 784081103 /nfs/dbraw/zinc/08/11/03/784081103.db2.gz RSRYWGIKVYBZQG-HUUCEWRRSA-N 1 2 343.431 0.543 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCO1)C[C@H]2c1nnc(C)[nH]1 ZINC001070441317 784081325 /nfs/dbraw/zinc/08/13/25/784081325.db2.gz SMMJIQQQYDPSLW-KBPBESRZSA-N 1 2 329.404 0.153 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC001070903206 784082444 /nfs/dbraw/zinc/08/24/44/784082444.db2.gz GUTJFCGXWMJENG-BMFZPTHFSA-N 1 2 342.399 0.758 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC001070903206 784082450 /nfs/dbraw/zinc/08/24/50/784082450.db2.gz GUTJFCGXWMJENG-BMFZPTHFSA-N 1 2 342.399 0.758 20 30 ECEDLO CC#CC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)C#N)C[C@H]2c1nnc(C)[nH]1 ZINC001070442694 784086573 /nfs/dbraw/zinc/08/65/73/784086573.db2.gz MUHDMQFASVZXKR-JSGCOSHPSA-N 1 2 326.404 0.524 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[C@@H]1C(F)F)C[C@@H]2c1nnc(C)[nH]1 ZINC001070444325 784092988 /nfs/dbraw/zinc/09/29/88/784092988.db2.gz NQUXPDMSGBBKLU-RWMBFGLXSA-N 1 2 349.385 0.875 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1n[nH]cc1F)C[C@@H]2c1nnc(C)[nH]1 ZINC001070447056 784101277 /nfs/dbraw/zinc/10/12/77/784101277.db2.gz AVKDBWLPSZAQKH-LLVKDONJSA-N 1 2 343.366 0.150 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2ccncn2)CC1 ZINC001070968250 784261304 /nfs/dbraw/zinc/26/13/04/784261304.db2.gz WEECDQBVKVCGQR-UHFFFAOYSA-N 1 2 331.420 0.246 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCc2ccncn2)CC1 ZINC001070968250 784261307 /nfs/dbraw/zinc/26/13/07/784261307.db2.gz WEECDQBVKVCGQR-UHFFFAOYSA-N 1 2 331.420 0.246 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001070554126 784265789 /nfs/dbraw/zinc/26/57/89/784265789.db2.gz HOSVPPXGPRXBMI-OAHLLOKOSA-N 1 2 334.420 0.973 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)COc2cc(C)on2)CC1 ZINC001070971474 784273817 /nfs/dbraw/zinc/27/38/17/784273817.db2.gz BAQKXFXCKOEMMU-UHFFFAOYSA-N 1 2 336.392 0.198 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)COc2cc(C)on2)CC1 ZINC001070971474 784273826 /nfs/dbraw/zinc/27/38/26/784273826.db2.gz BAQKXFXCKOEMMU-UHFFFAOYSA-N 1 2 336.392 0.198 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N2CCC(=O)NCCN(CC#N)CC2)c[nH+]1 ZINC001070973219 784282792 /nfs/dbraw/zinc/28/27/92/784282792.db2.gz GYKYLCRHIIANKA-UHFFFAOYSA-N 1 2 346.435 0.101 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCn3ccnc3C2)CC1 ZINC001070976554 784293372 /nfs/dbraw/zinc/29/33/72/784293372.db2.gz HLCGPPGDPGFCGL-HNNXBMFYSA-N 1 2 345.447 0.282 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCn3ccnc3C2)CC1 ZINC001070976554 784293377 /nfs/dbraw/zinc/29/33/77/784293377.db2.gz HLCGPPGDPGFCGL-HNNXBMFYSA-N 1 2 345.447 0.282 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2nc(C)no2)CC1 ZINC001070982753 784314802 /nfs/dbraw/zinc/31/48/02/784314802.db2.gz KZCVOLHFFHADJT-UHFFFAOYSA-N 1 2 335.408 0.147 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCc2nc(C)no2)CC1 ZINC001070982753 784314813 /nfs/dbraw/zinc/31/48/13/784314813.db2.gz KZCVOLHFFHADJT-UHFFFAOYSA-N 1 2 335.408 0.147 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)Oc2ccccn2)CC1 ZINC001071015598 784422763 /nfs/dbraw/zinc/42/27/63/784422763.db2.gz LCHBRGJFQSIMPE-HNNXBMFYSA-N 1 2 346.431 0.685 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)Oc2ccccn2)CC1 ZINC001071015598 784422768 /nfs/dbraw/zinc/42/27/68/784422768.db2.gz LCHBRGJFQSIMPE-HNNXBMFYSA-N 1 2 346.431 0.685 20 30 ECEDLO CN(c1cncc(C#N)n1)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001068734150 791026118 /nfs/dbraw/zinc/02/61/18/791026118.db2.gz LYDWHAYFRYAAJV-UHFFFAOYSA-N 1 2 325.376 0.741 20 30 ECEDLO C#CC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1c1cncn1C ZINC001070649234 784496006 /nfs/dbraw/zinc/49/60/06/784496006.db2.gz VTLOTTYOOWRLCV-CKYFFXLPSA-N 1 2 332.301 0.838 20 30 ECEDLO Cc1[nH]nc(Cl)c1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070654256 784504014 /nfs/dbraw/zinc/50/40/14/784504014.db2.gz DSYMYOSYPKZSRT-GHMZBOCLSA-N 1 2 347.810 0.826 20 30 ECEDLO CCCc1n[nH]cc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070663324 784520572 /nfs/dbraw/zinc/52/05/72/784520572.db2.gz ZFUTURNEWSBHBK-UKRRQHHQSA-N 1 2 341.419 0.817 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CCc2cscn2)C[C@H]1NCC#N ZINC001070721962 784596895 /nfs/dbraw/zinc/59/68/95/784596895.db2.gz LKJCSSCNUDIZJB-ZIAGYGMSSA-N 1 2 344.444 0.917 20 30 ECEDLO C=CCn1cccc1C(=O)N1C[C@@H](C)O[C@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001071176435 784666019 /nfs/dbraw/zinc/66/60/19/784666019.db2.gz VONKYISTHOILBX-KDOFPFPSSA-N 1 2 346.431 0.465 20 30 ECEDLO C=CCn1cccc1C(=O)N1C[C@@H](C)O[C@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001071176435 784666026 /nfs/dbraw/zinc/66/60/26/784666026.db2.gz VONKYISTHOILBX-KDOFPFPSSA-N 1 2 346.431 0.465 20 30 ECEDLO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)c(C)cc1=O)C[C@@H](C)O2 ZINC001071178490 784673335 /nfs/dbraw/zinc/67/33/35/784673335.db2.gz QFKWZCHYCGWJKA-BEFAXECRSA-N 1 2 343.427 0.632 20 30 ECEDLO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)c(C)cc1=O)C[C@@H](C)O2 ZINC001071178490 784673342 /nfs/dbraw/zinc/67/33/42/784673342.db2.gz QFKWZCHYCGWJKA-BEFAXECRSA-N 1 2 343.427 0.632 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn[nH]n1)C[C@H](C)O2 ZINC001071183973 784685043 /nfs/dbraw/zinc/68/50/43/784685043.db2.gz WELKLTNMFSUFTG-FZMZJTMJSA-N 1 2 325.800 0.863 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn[nH]n1)C[C@H](C)O2 ZINC001071183973 784685049 /nfs/dbraw/zinc/68/50/49/784685049.db2.gz WELKLTNMFSUFTG-FZMZJTMJSA-N 1 2 325.800 0.863 20 30 ECEDLO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)ccc1=O)C[C@@H](C)O2 ZINC001071189486 784694144 /nfs/dbraw/zinc/69/41/44/784694144.db2.gz LSLLSCKUMMUAKO-RDTXWAMCSA-N 1 2 329.400 0.324 20 30 ECEDLO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cn(C)ccc1=O)C[C@@H](C)O2 ZINC001071189486 784694151 /nfs/dbraw/zinc/69/41/51/784694151.db2.gz LSLLSCKUMMUAKO-RDTXWAMCSA-N 1 2 329.400 0.324 20 30 ECEDLO C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)ccc1=O)C[C@H](C)O2 ZINC001071189485 784694178 /nfs/dbraw/zinc/69/41/78/784694178.db2.gz LSLLSCKUMMUAKO-KSSFIOAISA-N 1 2 329.400 0.324 20 30 ECEDLO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cn(C)ccc1=O)C[C@H](C)O2 ZINC001071189485 784694184 /nfs/dbraw/zinc/69/41/84/784694184.db2.gz LSLLSCKUMMUAKO-KSSFIOAISA-N 1 2 329.400 0.324 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)C[C@H]3CCCO3)C2)C(=O)C1 ZINC001071252905 784842063 /nfs/dbraw/zinc/84/20/63/784842063.db2.gz AWVLDVKBRZYDQC-IAGOWNOFSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)C[C@H]3CCCO3)C2)C(=O)C1 ZINC001071252905 784842071 /nfs/dbraw/zinc/84/20/71/784842071.db2.gz AWVLDVKBRZYDQC-IAGOWNOFSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3ccn(C)c3)C2)C(=O)C1 ZINC001071260053 784870214 /nfs/dbraw/zinc/87/02/14/784870214.db2.gz GYHIIQGUWBVPIH-KRWDZBQOSA-N 1 2 342.443 0.797 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3ccn(C)c3)C2)C(=O)C1 ZINC001071260053 784870220 /nfs/dbraw/zinc/87/02/20/784870220.db2.gz GYHIIQGUWBVPIH-KRWDZBQOSA-N 1 2 342.443 0.797 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3cc[nH]c3)C2)C(=O)C1 ZINC001071264467 784885230 /nfs/dbraw/zinc/88/52/30/784885230.db2.gz XHUZBKHQKLQVRB-INIZCTEOSA-N 1 2 328.416 0.787 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3cc[nH]c3)C2)C(=O)C1 ZINC001071264467 784885237 /nfs/dbraw/zinc/88/52/37/784885237.db2.gz XHUZBKHQKLQVRB-INIZCTEOSA-N 1 2 328.416 0.787 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3ccncn3)C2)C(=O)C1 ZINC001071275660 784916104 /nfs/dbraw/zinc/91/61/04/784916104.db2.gz MVJGCJCNKALHLF-HNNXBMFYSA-N 1 2 341.415 0.249 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3ccncn3)C2)C(=O)C1 ZINC001071275660 784916109 /nfs/dbraw/zinc/91/61/09/784916109.db2.gz MVJGCJCNKALHLF-HNNXBMFYSA-N 1 2 341.415 0.249 20 30 ECEDLO C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001071807641 785133562 /nfs/dbraw/zinc/13/35/62/785133562.db2.gz AOTFOGMONXOQFG-UONOGXRCSA-N 1 2 334.420 0.518 20 30 ECEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001071919213 785334842 /nfs/dbraw/zinc/33/48/42/785334842.db2.gz YJTMPEBSNZETAB-RISCZKNCSA-N 1 2 340.387 0.819 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3cnnn3C)C2)nc1 ZINC001072000348 785505310 /nfs/dbraw/zinc/50/53/10/785505310.db2.gz WJOUCCCEFAAOBN-HIFRSBDPSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3cnnn3C)C2)nc1 ZINC001072000348 785505317 /nfs/dbraw/zinc/50/53/17/785505317.db2.gz WJOUCCCEFAAOBN-HIFRSBDPSA-N 1 2 338.415 0.974 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001072035409 785557649 /nfs/dbraw/zinc/55/76/49/785557649.db2.gz LJDVGWNHBACNSG-HUUCEWRRSA-N 1 2 330.432 0.975 20 30 ECEDLO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)CCc1[nH+]ccn1C ZINC001072050004 785572897 /nfs/dbraw/zinc/57/28/97/785572897.db2.gz XWEOTMIOVQNBMV-HIFRSBDPSA-N 1 2 328.416 0.729 20 30 ECEDLO C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1NC(=O)CCc1[nH+]ccn1C ZINC001072050006 785573165 /nfs/dbraw/zinc/57/31/65/785573165.db2.gz XWEOTMIOVQNBMV-ZFWWWQNUSA-N 1 2 328.416 0.729 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001072430873 786173794 /nfs/dbraw/zinc/17/37/94/786173794.db2.gz YZLHNDDVTXDXNT-QWHCGFSZSA-N 1 2 334.420 0.853 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1NC(=O)CSCC#N ZINC001072513890 786309875 /nfs/dbraw/zinc/30/98/75/786309875.db2.gz UCTGYAUFDGFZRO-OCCSQVGLSA-N 1 2 349.460 0.573 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccn(CC)n3)C[C@@H]21 ZINC001074244879 786499011 /nfs/dbraw/zinc/49/90/11/786499011.db2.gz KREWTUFTVZZMJF-DLBZAZTESA-N 1 2 330.432 0.771 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccn(CC)n3)C[C@@H]21 ZINC001074244879 786499017 /nfs/dbraw/zinc/49/90/17/786499017.db2.gz KREWTUFTVZZMJF-DLBZAZTESA-N 1 2 330.432 0.771 20 30 ECEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(OC)ncn3)C[C@H]21 ZINC001074245653 786501987 /nfs/dbraw/zinc/50/19/87/786501987.db2.gz RXVFQOWSPRNSFT-HUUCEWRRSA-N 1 2 332.404 0.977 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(OC)ncn3)C[C@H]21 ZINC001074245653 786501989 /nfs/dbraw/zinc/50/19/89/786501989.db2.gz RXVFQOWSPRNSFT-HUUCEWRRSA-N 1 2 332.404 0.977 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3cc(C4CC4)nn3)C[C@@H]21 ZINC001074266564 786547139 /nfs/dbraw/zinc/54/71/39/786547139.db2.gz MSBKDDBWMPKFOC-DLBZAZTESA-N 1 2 343.431 0.481 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3cc(C4CC4)nn3)C[C@@H]21 ZINC001074266564 786547143 /nfs/dbraw/zinc/54/71/43/786547143.db2.gz MSBKDDBWMPKFOC-DLBZAZTESA-N 1 2 343.431 0.481 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3cc(C4CC4)nn3)C[C@@H]21 ZINC001074266566 786547156 /nfs/dbraw/zinc/54/71/56/786547156.db2.gz MSBKDDBWMPKFOC-IRXDYDNUSA-N 1 2 343.431 0.481 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3cc(C4CC4)nn3)C[C@@H]21 ZINC001074266566 786547159 /nfs/dbraw/zinc/54/71/59/786547159.db2.gz MSBKDDBWMPKFOC-IRXDYDNUSA-N 1 2 343.431 0.481 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccnn3CCOC)C[C@H]21 ZINC001074273584 786563029 /nfs/dbraw/zinc/56/30/29/786563029.db2.gz LOBNIWPVAJTJPV-IAGOWNOFSA-N 1 2 346.431 0.468 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccnn3CCOC)C[C@H]21 ZINC001074273584 786563032 /nfs/dbraw/zinc/56/30/32/786563032.db2.gz LOBNIWPVAJTJPV-IAGOWNOFSA-N 1 2 346.431 0.468 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C[C@H]21 ZINC001074283359 786587485 /nfs/dbraw/zinc/58/74/85/786587485.db2.gz CFPILVXKXAJXJQ-HZPDHXFCSA-N 1 2 329.400 0.324 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C[C@H]21 ZINC001074283359 786587489 /nfs/dbraw/zinc/58/74/89/786587489.db2.gz CFPILVXKXAJXJQ-HZPDHXFCSA-N 1 2 329.400 0.324 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C[C@@H]21 ZINC001074289278 786603821 /nfs/dbraw/zinc/60/38/21/786603821.db2.gz QGGTXDNTQMMQGY-JKSUJKDBSA-N 1 2 344.415 0.063 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C[C@@H]21 ZINC001074289278 786603829 /nfs/dbraw/zinc/60/38/29/786603829.db2.gz QGGTXDNTQMMQGY-JKSUJKDBSA-N 1 2 344.415 0.063 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3cc(CC)nn3C)C[C@@H]21 ZINC001074302925 786634828 /nfs/dbraw/zinc/63/48/28/786634828.db2.gz ZKBVOCQSOMGELI-ZWKOTPCHSA-N 1 2 344.459 0.850 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3cc(CC)nn3C)C[C@@H]21 ZINC001074302925 786634833 /nfs/dbraw/zinc/63/48/33/786634833.db2.gz ZKBVOCQSOMGELI-ZWKOTPCHSA-N 1 2 344.459 0.850 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)COc3cnn(C)c3)C[C@H]21 ZINC001074322838 786674041 /nfs/dbraw/zinc/67/40/41/786674041.db2.gz YHLLVRFYBYUQDQ-HZPDHXFCSA-N 1 2 332.404 0.124 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)COc3cnn(C)c3)C[C@H]21 ZINC001074322838 786674047 /nfs/dbraw/zinc/67/40/47/786674047.db2.gz YHLLVRFYBYUQDQ-HZPDHXFCSA-N 1 2 332.404 0.124 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001073583422 786685492 /nfs/dbraw/zinc/68/54/92/786685492.db2.gz YYBKAEFHDZTEEA-AWEZNQCLSA-N 1 2 329.828 0.424 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001073583422 786685501 /nfs/dbraw/zinc/68/55/01/786685501.db2.gz YYBKAEFHDZTEEA-AWEZNQCLSA-N 1 2 329.828 0.424 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3nccn4ccnc34)C[C@H]21 ZINC001074341158 786711235 /nfs/dbraw/zinc/71/12/35/786711235.db2.gz QFCUYMWLAPRTPK-CABCVRRESA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3nccn4ccnc34)C[C@H]21 ZINC001074341158 786711240 /nfs/dbraw/zinc/71/12/40/786711240.db2.gz QFCUYMWLAPRTPK-CABCVRRESA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4nncn4c3)C[C@H]21 ZINC001074356924 786745031 /nfs/dbraw/zinc/74/50/31/786745031.db2.gz RRIMGPVOFDJOGG-HZPDHXFCSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc4nncn4c3)C[C@H]21 ZINC001074356924 786745040 /nfs/dbraw/zinc/74/50/40/786745040.db2.gz RRIMGPVOFDJOGG-HZPDHXFCSA-N 1 2 339.399 0.668 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@H]21 ZINC001074361278 786754943 /nfs/dbraw/zinc/75/49/43/786754943.db2.gz ZMXFUNRDEZTAGH-IAGOWNOFSA-N 1 2 337.464 0.587 20 30 ECEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@H]21 ZINC001074361278 786754945 /nfs/dbraw/zinc/75/49/45/786754945.db2.gz ZMXFUNRDEZTAGH-IAGOWNOFSA-N 1 2 337.464 0.587 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3OCC[N@@H+](CCCO)[C@H]3C2)cn1 ZINC001074387856 786825928 /nfs/dbraw/zinc/82/59/28/786825928.db2.gz RHAZPNYMFILPRB-IRXDYDNUSA-N 1 2 329.400 0.361 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H]3OCC[N@H+](CCCO)[C@H]3C2)cn1 ZINC001074387856 786825940 /nfs/dbraw/zinc/82/59/40/786825940.db2.gz RHAZPNYMFILPRB-IRXDYDNUSA-N 1 2 329.400 0.361 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C[C@@H]21 ZINC001074402949 786867463 /nfs/dbraw/zinc/86/74/63/786867463.db2.gz OESPXBKUYZYYJS-IRXDYDNUSA-N 1 2 341.411 0.724 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C[C@@H]21 ZINC001074402949 786867470 /nfs/dbraw/zinc/86/74/70/786867470.db2.gz OESPXBKUYZYYJS-IRXDYDNUSA-N 1 2 341.411 0.724 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cncc(C(N)=O)c3)C[C@H]21 ZINC001074405063 786876013 /nfs/dbraw/zinc/87/60/13/786876013.db2.gz LNAVJKORLBOENT-HZPDHXFCSA-N 1 2 342.399 0.119 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cncc(C(N)=O)c3)C[C@H]21 ZINC001074405063 786876022 /nfs/dbraw/zinc/87/60/22/786876022.db2.gz LNAVJKORLBOENT-HZPDHXFCSA-N 1 2 342.399 0.119 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3ccccc3=O)C[C@H]21 ZINC001074408524 786889566 /nfs/dbraw/zinc/88/95/66/786889566.db2.gz XMRJWVOROVNUPD-CVEARBPZSA-N 1 2 331.416 0.726 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)Cn3ccccc3=O)C[C@H]21 ZINC001074408524 786889575 /nfs/dbraw/zinc/88/95/75/786889575.db2.gz XMRJWVOROVNUPD-CVEARBPZSA-N 1 2 331.416 0.726 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001073668088 786921073 /nfs/dbraw/zinc/92/10/73/786921073.db2.gz VZFCDUXJNYWYDD-QWHCGFSZSA-N 1 2 329.828 0.472 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001073668088 786921083 /nfs/dbraw/zinc/92/10/83/786921083.db2.gz VZFCDUXJNYWYDD-QWHCGFSZSA-N 1 2 329.828 0.472 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CCc3cn(C)nn3)C[C@@H]21 ZINC001074419310 786928004 /nfs/dbraw/zinc/92/80/04/786928004.db2.gz JUIWSZNZZJLESQ-HOTGVXAUSA-N 1 2 333.436 0.626 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CCc3cn(C)nn3)C[C@@H]21 ZINC001074419310 786928010 /nfs/dbraw/zinc/92/80/10/786928010.db2.gz JUIWSZNZZJLESQ-HOTGVXAUSA-N 1 2 333.436 0.626 20 30 ECEDLO C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1NC(=O)CSCC#N ZINC001073743672 787103096 /nfs/dbraw/zinc/10/30/96/787103096.db2.gz CKCSBJCFYTXZKP-KBPBESRZSA-N 1 2 349.460 0.883 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1NC(=O)CSCC#N ZINC001073746842 787115252 /nfs/dbraw/zinc/11/52/52/787115252.db2.gz DXFGOGZXNPUVKX-NEPJUHHUSA-N 1 2 335.433 0.562 20 30 ECEDLO C=CC[N@@H+]1CCCO[C@H](CNC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001073796700 787219853 /nfs/dbraw/zinc/21/98/53/787219853.db2.gz QNVFOVZYWQYSPQ-CQSZACIVSA-N 1 2 330.450 0.204 20 30 ECEDLO C=CC[N@H+]1CCCO[C@H](CNC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001073796700 787219859 /nfs/dbraw/zinc/21/98/59/787219859.db2.gz QNVFOVZYWQYSPQ-CQSZACIVSA-N 1 2 330.450 0.204 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001073820102 787263893 /nfs/dbraw/zinc/26/38/93/787263893.db2.gz NYBLYXYRMFEEFK-ZFWWWQNUSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001073820102 787263901 /nfs/dbraw/zinc/26/39/01/787263901.db2.gz NYBLYXYRMFEEFK-ZFWWWQNUSA-N 1 2 334.420 0.898 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCC(O)(CNC(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001074723064 787694510 /nfs/dbraw/zinc/69/45/10/787694510.db2.gz WGJJWPRXUSBRNU-UHFFFAOYSA-N 1 2 346.431 0.709 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001074035352 787731865 /nfs/dbraw/zinc/73/18/65/787731865.db2.gz CADUOWKITKALQG-HUUCEWRRSA-N 1 2 332.404 0.276 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001074037020 787734873 /nfs/dbraw/zinc/73/48/73/787734873.db2.gz UIYIPVRCSBTSHC-QWHCGFSZSA-N 1 2 335.433 0.493 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001074037019 787735002 /nfs/dbraw/zinc/73/50/02/787735002.db2.gz UIYIPVRCSBTSHC-OLZOCXBDSA-N 1 2 335.433 0.493 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001074108015 787892991 /nfs/dbraw/zinc/89/29/91/787892991.db2.gz YNQLFQQZAUUMRG-GDBMZVCRSA-N 1 2 348.447 0.909 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001075088876 788886477 /nfs/dbraw/zinc/88/64/77/788886477.db2.gz OGOSZECOAUVNRU-TZMCWYRMSA-N 1 2 334.420 0.959 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CCC(C)(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001072985195 789222921 /nfs/dbraw/zinc/22/29/21/789222921.db2.gz FEJFCBAZMSIDDH-SFHVURJKSA-N 1 2 348.447 0.787 20 30 ECEDLO C=CCOCC(=O)NC1(C)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001073177444 789572383 /nfs/dbraw/zinc/57/23/83/789572383.db2.gz UVTRLJPWSRCBMM-UHFFFAOYSA-N 1 2 334.420 0.961 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC001075617599 789575620 /nfs/dbraw/zinc/57/56/20/789575620.db2.gz SBDJIYYQNHQVRF-QJPTWQEYSA-N 1 2 342.237 0.706 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC001075617599 789575625 /nfs/dbraw/zinc/57/56/25/789575625.db2.gz SBDJIYYQNHQVRF-QJPTWQEYSA-N 1 2 342.237 0.706 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCCN1c1cnc(C#N)cn1 ZINC001069376129 789783702 /nfs/dbraw/zinc/78/37/02/789783702.db2.gz SLYOSJLECVWHEL-OCCSQVGLSA-N 1 2 325.376 0.718 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC001073393036 789784181 /nfs/dbraw/zinc/78/41/81/789784181.db2.gz CRAXEEWQDWIOIU-AWEZNQCLSA-N 1 2 346.431 0.735 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC001073393037 789784365 /nfs/dbraw/zinc/78/43/65/789784365.db2.gz CRAXEEWQDWIOIU-CQSZACIVSA-N 1 2 346.431 0.735 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCCN1c1cncc(C#N)n1 ZINC001069376446 789784533 /nfs/dbraw/zinc/78/45/33/789784533.db2.gz XJSHQPSULDQZDC-TZMCWYRMSA-N 1 2 325.376 0.718 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCC(CC)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001069377296 789785081 /nfs/dbraw/zinc/78/50/81/789785081.db2.gz XJSLZCYHRRVFTJ-OAHLLOKOSA-N 1 2 346.431 0.809 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1c1ccnc(C#N)n1 ZINC001069383329 789789596 /nfs/dbraw/zinc/78/95/96/789789596.db2.gz HSACUTSRRVAONP-VXGBXAGGSA-N 1 2 325.376 0.788 20 30 ECEDLO Cc1cc(C#N)nc(NC2CC(N(C)C(=O)Cn3cc[nH+]c3)C2)n1 ZINC001069751932 790009391 /nfs/dbraw/zinc/00/93/91/790009391.db2.gz WTVNJUIRAPZRJT-UHFFFAOYSA-N 1 2 325.376 0.955 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC(Nc2ccnc(C#N)n2)C1 ZINC001069759583 790015373 /nfs/dbraw/zinc/01/53/73/790015373.db2.gz ZJNXRSPBIVABIX-UHFFFAOYSA-N 1 2 325.376 0.446 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001069759991 790015517 /nfs/dbraw/zinc/01/55/17/790015517.db2.gz LMSITIMNTCIBFV-SFHVURJKSA-N 1 2 346.431 0.927 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3cnnn3CC)c2C1 ZINC001069859611 790110996 /nfs/dbraw/zinc/11/09/96/790110996.db2.gz FDGUMLXXXUFKFT-UHFFFAOYSA-N 1 2 329.408 0.816 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3cnnn3CC)c2C1 ZINC001069859611 790111000 /nfs/dbraw/zinc/11/10/00/790111000.db2.gz FDGUMLXXXUFKFT-UHFFFAOYSA-N 1 2 329.408 0.816 20 30 ECEDLO C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c2C1 ZINC001069860662 790112967 /nfs/dbraw/zinc/11/29/67/790112967.db2.gz CYEOXKCJCKJFRP-ZIAGYGMSSA-N 1 2 333.392 0.946 20 30 ECEDLO C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c2C1 ZINC001069860662 790112970 /nfs/dbraw/zinc/11/29/70/790112970.db2.gz CYEOXKCJCKJFRP-ZIAGYGMSSA-N 1 2 333.392 0.946 20 30 ECEDLO N#CCN1CCn2ncc(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)c2C1 ZINC001069864216 790119450 /nfs/dbraw/zinc/11/94/50/790119450.db2.gz FBFIBSPULHNTLG-CYBMUJFWSA-N 1 2 339.403 0.298 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3cc(OC)n(C)n3)c2C1 ZINC001069867163 790125694 /nfs/dbraw/zinc/12/56/94/790125694.db2.gz BCALANOWVDMWKQ-UHFFFAOYSA-N 1 2 344.419 0.947 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3cc(OC)n(C)n3)c2C1 ZINC001069867163 790125697 /nfs/dbraw/zinc/12/56/97/790125697.db2.gz BCALANOWVDMWKQ-UHFFFAOYSA-N 1 2 344.419 0.947 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3cn(C)nc3OC)c2C1 ZINC001069870078 790130204 /nfs/dbraw/zinc/13/02/04/790130204.db2.gz RELGBJFYVFEYDC-UHFFFAOYSA-N 1 2 344.419 0.947 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3cn(C)nc3OC)c2C1 ZINC001069870078 790130206 /nfs/dbraw/zinc/13/02/06/790130206.db2.gz RELGBJFYVFEYDC-UHFFFAOYSA-N 1 2 344.419 0.947 20 30 ECEDLO C=CCCn1cc(C(=O)NCc2cnn3c2C[N@H+](CC)CC3)nn1 ZINC001069877385 790139667 /nfs/dbraw/zinc/13/96/67/790139667.db2.gz RVYXLGYTTJJFGR-UHFFFAOYSA-N 1 2 329.408 0.816 20 30 ECEDLO C=CCCn1cc(C(=O)NCc2cnn3c2C[N@@H+](CC)CC3)nn1 ZINC001069877385 790139669 /nfs/dbraw/zinc/13/96/69/790139669.db2.gz RVYXLGYTTJJFGR-UHFFFAOYSA-N 1 2 329.408 0.816 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001069908486 790177306 /nfs/dbraw/zinc/17/73/06/790177306.db2.gz ZQLYICZHUQVFNN-OAGGEKHMSA-N 1 2 331.420 0.602 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001069908486 790177311 /nfs/dbraw/zinc/17/73/11/790177311.db2.gz ZQLYICZHUQVFNN-OAGGEKHMSA-N 1 2 331.420 0.602 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccnn2C(F)F)[C@@H](n2ccnn2)C1 ZINC001069936444 790210657 /nfs/dbraw/zinc/21/06/57/790210657.db2.gz BGTCFZYEYFGNJL-PWSUYJOCSA-N 1 2 335.318 0.158 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccnn2C(F)F)[C@@H](n2ccnn2)C1 ZINC001069936444 790210662 /nfs/dbraw/zinc/21/06/62/790210662.db2.gz BGTCFZYEYFGNJL-PWSUYJOCSA-N 1 2 335.318 0.158 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ccn(C(F)F)n2)[C@@H](n2ccnn2)C1 ZINC001069937940 790212259 /nfs/dbraw/zinc/21/22/59/790212259.db2.gz WRARUFSBDOKNGD-NEPJUHHUSA-N 1 2 337.334 0.711 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccn(C(F)F)n2)[C@@H](n2ccnn2)C1 ZINC001069937940 790212262 /nfs/dbraw/zinc/21/22/62/790212262.db2.gz WRARUFSBDOKNGD-NEPJUHHUSA-N 1 2 337.334 0.711 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(OCC)nc2)[C@@H](n2ccnn2)C1 ZINC001069940867 790216174 /nfs/dbraw/zinc/21/61/74/790216174.db2.gz ICRCRKXEYCIMFM-CABCVRRESA-N 1 2 340.387 0.360 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(OCC)nc2)[C@@H](n2ccnn2)C1 ZINC001069940867 790216175 /nfs/dbraw/zinc/21/61/75/790216175.db2.gz ICRCRKXEYCIMFM-CABCVRRESA-N 1 2 340.387 0.360 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(C)nnc2CC)[C@@H](n2ccnn2)C1 ZINC001069964034 790249185 /nfs/dbraw/zinc/24/91/85/790249185.db2.gz VFDVGGRZOWNJCJ-CVEARBPZSA-N 1 2 341.419 0.780 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)nnc2CC)[C@@H](n2ccnn2)C1 ZINC001069964034 790249190 /nfs/dbraw/zinc/24/91/90/790249190.db2.gz VFDVGGRZOWNJCJ-CVEARBPZSA-N 1 2 341.419 0.780 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001068839502 791236960 /nfs/dbraw/zinc/23/69/60/791236960.db2.gz PVDJVYGSPCCGIM-HNNXBMFYSA-N 1 2 344.415 0.563 20 30 ECEDLO CC(C)C#CC(=O)N[C@@H]1COC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001068858186 791277498 /nfs/dbraw/zinc/27/74/98/791277498.db2.gz ANFVVZSMVAEYRR-ZDUSSCGKSA-N 1 2 330.388 0.098 20 30 ECEDLO C[C@H]1[C@H](Nc2cnc(C#N)cn2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001068872722 791315985 /nfs/dbraw/zinc/31/59/85/791315985.db2.gz PFHAABLIVZNKAM-SMDDNHRTSA-N 1 2 325.376 0.726 20 30 ECEDLO C=C(C)CCC(=O)N[C@H]1COC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001068891831 791354402 /nfs/dbraw/zinc/35/44/02/791354402.db2.gz WRPPDAIXFFKGOC-CQSZACIVSA-N 1 2 332.404 0.726 20 30 ECEDLO C=CCCCC(=O)N[C@H]1COC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001068995201 791564623 /nfs/dbraw/zinc/56/46/23/791564623.db2.gz XMYFKLRKYBIAAM-CQSZACIVSA-N 1 2 332.404 0.795 20 30 ECEDLO CC(C)C#CC(=O)N1CC2(C1)C[C@H](NC(=O)Cc1c[nH]c[nH+]1)CO2 ZINC001069058274 791663230 /nfs/dbraw/zinc/66/32/30/791663230.db2.gz BMNJZZPFUNWLJC-AWEZNQCLSA-N 1 2 330.388 0.098 20 30 ECEDLO Cc1cc(C#N)nc(N[C@H]2C[C@@H](C)N(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC001069116467 791717205 /nfs/dbraw/zinc/71/72/05/791717205.db2.gz RIBAPHZSUWZZOJ-OCCSQVGLSA-N 1 2 325.376 0.955 20 30 ECEDLO CSCC(=O)N1CC[C@@H]([NH+]2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001066696258 792010722 /nfs/dbraw/zinc/01/07/22/792010722.db2.gz FFRLGQVYDGONIC-CQSZACIVSA-N 1 2 346.460 0.434 20 30 ECEDLO N#Cc1nccnc1N1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001066793520 792174464 /nfs/dbraw/zinc/17/44/64/792174464.db2.gz IJELSIIVALHYIS-LBPRGKRZSA-N 1 2 325.376 0.789 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001067716637 792180468 /nfs/dbraw/zinc/18/04/68/792180468.db2.gz HFLRCWMJKGCRGH-CABCVRRESA-N 1 2 334.420 0.781 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1)c1ccncc1C#N ZINC001067748592 792219745 /nfs/dbraw/zinc/21/97/45/792219745.db2.gz AQYVMOKTTOGCMQ-NVXWUHKLSA-N 1 2 343.431 0.711 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1)c1ccncc1C#N ZINC001067748592 792219748 /nfs/dbraw/zinc/21/97/48/792219748.db2.gz AQYVMOKTTOGCMQ-NVXWUHKLSA-N 1 2 343.431 0.711 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1)c1ccnc(C#N)n1 ZINC001067765077 792249571 /nfs/dbraw/zinc/24/95/71/792249571.db2.gz BVMGSWQCNNXRHM-ZDUSSCGKSA-N 1 2 325.376 0.672 20 30 ECEDLO CC1(C)CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001068115186 792697161 /nfs/dbraw/zinc/69/71/61/792697161.db2.gz FZSJJEVMPYDBFI-CYBMUJFWSA-N 1 2 325.376 0.576 20 30 ECEDLO CC1(C)CN(c2cnc(C#N)cn2)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001068115187 792697577 /nfs/dbraw/zinc/69/75/77/792697577.db2.gz FZSJJEVMPYDBFI-ZDUSSCGKSA-N 1 2 325.376 0.576 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CN(c2ccnc(C#N)n2)CC1(C)C ZINC001068118025 792702831 /nfs/dbraw/zinc/70/28/31/792702831.db2.gz OAIJOFWGRHNUCT-ZDUSSCGKSA-N 1 2 339.403 0.954 20 30 ECEDLO C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1Nc1cncc(C#N)n1 ZINC001067123577 792722031 /nfs/dbraw/zinc/72/20/31/792722031.db2.gz WBYFSVJZXVIQNV-SMDDNHRTSA-N 1 2 325.376 0.583 20 30 ECEDLO C[C@H](Nc1ccc(C#N)nc1)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001068235709 792890549 /nfs/dbraw/zinc/89/05/49/792890549.db2.gz YMZPPSIFAJHNJC-BBRMVZONSA-N 1 2 340.387 0.878 20 30 ECEDLO C[C@@H]1C[C@@H](CNc2ccnc(C#N)n2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001068349231 793099019 /nfs/dbraw/zinc/09/90/19/793099019.db2.gz ZFYZQGHHWFYPLM-NEPJUHHUSA-N 1 2 325.376 0.385 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067405234 793109161 /nfs/dbraw/zinc/10/91/61/793109161.db2.gz FLKXBPILPLHGOZ-TZMCWYRMSA-N 1 2 339.403 0.655 20 30 ECEDLO C[C@@H]1CN(c2cnc(C#N)cn2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067408918 793114939 /nfs/dbraw/zinc/11/49/39/793114939.db2.gz WYNUGCVJRKMNLM-DGCLKSJQSA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@@H]1CN(c2ccc(C#N)nn2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067408862 793114998 /nfs/dbraw/zinc/11/49/98/793114998.db2.gz WEZLOVVQEQQAPR-DGCLKSJQSA-N 1 2 325.376 0.645 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(C1)CN(C(=O)Cn1cc[nH+]c1)CCO2 ZINC001068409830 793253409 /nfs/dbraw/zinc/25/34/09/793253409.db2.gz WMQVDLLXNFNABB-HUUCEWRRSA-N 1 2 346.431 0.781 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NCC ZINC001267428080 837404247 /nfs/dbraw/zinc/40/42/47/837404247.db2.gz DCSLONYOZWNFHB-IVSAIRAKSA-N 1 2 335.448 0.779 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NCC ZINC001267428080 837404250 /nfs/dbraw/zinc/40/42/50/837404250.db2.gz DCSLONYOZWNFHB-IVSAIRAKSA-N 1 2 335.448 0.779 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCCC1 ZINC001267529472 837701487 /nfs/dbraw/zinc/70/14/87/837701487.db2.gz ATBKTSOQMWBPQA-IYBDPMFKSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CCCC1 ZINC001267529472 837701497 /nfs/dbraw/zinc/70/14/97/837701497.db2.gz ATBKTSOQMWBPQA-IYBDPMFKSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2ncccn2)C1 ZINC001267547929 837743374 /nfs/dbraw/zinc/74/33/74/837743374.db2.gz UOTCDLIIPJWARL-CQSZACIVSA-N 1 2 329.404 0.153 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ncccn2)C1 ZINC001267547929 837743380 /nfs/dbraw/zinc/74/33/80/837743380.db2.gz UOTCDLIIPJWARL-CQSZACIVSA-N 1 2 329.404 0.153 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CCN(C)C(=O)C=C2CCC2)CC1 ZINC001267572129 837808124 /nfs/dbraw/zinc/80/81/24/837808124.db2.gz FUNUKSIQFDWMSA-UHFFFAOYSA-N 1 2 334.464 0.475 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(CCN(C)C(=O)CC2CCC2)CC1 ZINC001267574146 837818553 /nfs/dbraw/zinc/81/85/53/837818553.db2.gz WUVMWSMGPCNWPW-INIZCTEOSA-N 1 2 348.491 0.391 20 30 ECEDLO COCC#CCN1CC[NH+](CCN(C)C(=O)c2cccc(C)n2)CC1 ZINC001267573539 837817077 /nfs/dbraw/zinc/81/70/77/837817077.db2.gz HTCDQXOTOMXRIO-UHFFFAOYSA-N 1 2 344.459 0.729 20 30 ECEDLO COCC#CC[NH+]1CCN(CCN(C)C(=O)c2cccc(C)n2)CC1 ZINC001267573539 837817088 /nfs/dbraw/zinc/81/70/88/837817088.db2.gz HTCDQXOTOMXRIO-UHFFFAOYSA-N 1 2 344.459 0.729 20 30 ECEDLO C#CCNC(=O)[C@H](C)N1CC[NH+](CCN(C)C(=O)CC2CCC2)CC1 ZINC001267574146 837818536 /nfs/dbraw/zinc/81/85/36/837818536.db2.gz WUVMWSMGPCNWPW-INIZCTEOSA-N 1 2 348.491 0.391 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)Cc2ccc(F)cc2)C1 ZINC001266248944 835554385 /nfs/dbraw/zinc/55/43/85/835554385.db2.gz RYCWUNDMLJCZGU-INIZCTEOSA-N 1 2 331.391 0.698 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(F)cc2)C1 ZINC001266248944 835554391 /nfs/dbraw/zinc/55/43/91/835554391.db2.gz RYCWUNDMLJCZGU-INIZCTEOSA-N 1 2 331.391 0.698 20 30 ECEDLO Cc1cc2nc(C)cc(C(=O)NCC[NH+]3CCN(CC#N)CC3)n2n1 ZINC001266296579 835644521 /nfs/dbraw/zinc/64/45/21/835644521.db2.gz ASMQCCQTFJBKRL-UHFFFAOYSA-N 1 2 341.419 0.217 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)Cc1cn2cc(F)ccc2n1 ZINC001266304185 835668035 /nfs/dbraw/zinc/66/80/35/835668035.db2.gz MIKUILMNLDAHPL-UHFFFAOYSA-N 1 2 347.394 0.366 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)Cc1cn2cc(F)ccc2n1 ZINC001266304185 835668041 /nfs/dbraw/zinc/66/80/41/835668041.db2.gz MIKUILMNLDAHPL-UHFFFAOYSA-N 1 2 347.394 0.366 20 30 ECEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(=O)N[C@@H](C)COC)C1 ZINC001266307662 835672392 /nfs/dbraw/zinc/67/23/92/835672392.db2.gz IKANWQRQUNPHHM-STQMWFEESA-N 1 2 340.424 0.004 20 30 ECEDLO C=CCCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(=O)N[C@@H](C)COC)C1 ZINC001266307662 835672398 /nfs/dbraw/zinc/67/23/98/835672398.db2.gz IKANWQRQUNPHHM-STQMWFEESA-N 1 2 340.424 0.004 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001266320449 835691268 /nfs/dbraw/zinc/69/12/68/835691268.db2.gz ACGZIWJDHSGNDN-MRXNPFEDSA-N 1 2 343.427 0.866 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001266320449 835691273 /nfs/dbraw/zinc/69/12/73/835691273.db2.gz ACGZIWJDHSGNDN-MRXNPFEDSA-N 1 2 343.427 0.866 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC(C)C)n2)C1 ZINC001266320779 835692233 /nfs/dbraw/zinc/69/22/33/835692233.db2.gz FYLDDBWLBBMGAO-LSDHHAIUSA-N 1 2 345.447 0.481 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccn(CC(C)C)n2)C1 ZINC001266320779 835692235 /nfs/dbraw/zinc/69/22/35/835692235.db2.gz FYLDDBWLBBMGAO-LSDHHAIUSA-N 1 2 345.447 0.481 20 30 ECEDLO C#Cc1cncc(C(=O)NCC[N@@H+](C)CC(=O)NCC(F)(F)F)c1 ZINC001266323992 835700169 /nfs/dbraw/zinc/70/01/69/835700169.db2.gz QXWDXWRXJBXQDD-UHFFFAOYSA-N 1 2 342.321 0.403 20 30 ECEDLO C#Cc1cncc(C(=O)NCC[N@H+](C)CC(=O)NCC(F)(F)F)c1 ZINC001266323992 835700177 /nfs/dbraw/zinc/70/01/77/835700177.db2.gz QXWDXWRXJBXQDD-UHFFFAOYSA-N 1 2 342.321 0.403 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnc3n2CCCCC3)C1 ZINC001266326087 835703522 /nfs/dbraw/zinc/70/35/22/835703522.db2.gz XMDIOLZYRHJAHW-AWEZNQCLSA-N 1 2 345.447 0.716 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnc3n2CCCCC3)C1 ZINC001266326087 835703531 /nfs/dbraw/zinc/70/35/31/835703531.db2.gz XMDIOLZYRHJAHW-AWEZNQCLSA-N 1 2 345.447 0.716 20 30 ECEDLO CC(C)(C(N)=O)C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001266325518 835703859 /nfs/dbraw/zinc/70/38/59/835703859.db2.gz OVWDXQLDXLDIFT-ZDUSSCGKSA-N 1 2 332.379 0.899 20 30 ECEDLO CC(C)(C(N)=O)C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001266325518 835703862 /nfs/dbraw/zinc/70/38/62/835703862.db2.gz OVWDXQLDXLDIFT-ZDUSSCGKSA-N 1 2 332.379 0.899 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccnc3ccccc32)C1 ZINC001266327262 835707017 /nfs/dbraw/zinc/70/70/17/835707017.db2.gz BQORZSYFPSNWQO-CYBMUJFWSA-N 1 2 337.383 0.679 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccnc3ccccc32)C1 ZINC001266327262 835707022 /nfs/dbraw/zinc/70/70/22/835707022.db2.gz BQORZSYFPSNWQO-CYBMUJFWSA-N 1 2 337.383 0.679 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc3ncccc3o2)C1 ZINC001266330458 835712527 /nfs/dbraw/zinc/71/25/27/835712527.db2.gz DVJYIDIRRKJSSG-GFCCVEGCSA-N 1 2 328.372 0.934 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc3ncccc3o2)C1 ZINC001266330458 835712530 /nfs/dbraw/zinc/71/25/30/835712530.db2.gz DVJYIDIRRKJSSG-GFCCVEGCSA-N 1 2 328.372 0.934 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3ncccc32)C1 ZINC001266333835 835716982 /nfs/dbraw/zinc/71/69/82/835716982.db2.gz UUXUQCNWTQDQAE-CQSZACIVSA-N 1 2 336.395 0.788 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccc3ncccc32)C1 ZINC001266333835 835716986 /nfs/dbraw/zinc/71/69/86/835716986.db2.gz UUXUQCNWTQDQAE-CQSZACIVSA-N 1 2 336.395 0.788 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(C)C)cn2)C1 ZINC001266342574 835730008 /nfs/dbraw/zinc/73/00/08/835730008.db2.gz SDLIYBLDICIYIV-OAHLLOKOSA-N 1 2 328.416 0.759 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(C)C)cn2)C1 ZINC001266342574 835730018 /nfs/dbraw/zinc/73/00/18/835730018.db2.gz SDLIYBLDICIYIV-OAHLLOKOSA-N 1 2 328.416 0.759 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NCCCC)C2)nn1 ZINC001266347489 835739197 /nfs/dbraw/zinc/73/91/97/835739197.db2.gz PMFABGHVIAMBIO-UONOGXRCSA-N 1 2 348.451 0.573 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(=O)NCCCC)C2)nn1 ZINC001266347489 835739208 /nfs/dbraw/zinc/73/92/08/835739208.db2.gz PMFABGHVIAMBIO-UONOGXRCSA-N 1 2 348.451 0.573 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2coc(C3CCC3)n2)C1 ZINC001266350204 835746043 /nfs/dbraw/zinc/74/60/43/835746043.db2.gz RHVWKLWVDDGNOQ-JSGCOSHPSA-N 1 2 344.415 0.884 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2coc(C3CCC3)n2)C1 ZINC001266350204 835746048 /nfs/dbraw/zinc/74/60/48/835746048.db2.gz RHVWKLWVDDGNOQ-JSGCOSHPSA-N 1 2 344.415 0.884 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001266355203 835759877 /nfs/dbraw/zinc/75/98/77/835759877.db2.gz CSRXFUKGXHRPLB-GDBMZVCRSA-N 1 2 345.830 0.920 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001266355203 835759881 /nfs/dbraw/zinc/75/98/81/835759881.db2.gz CSRXFUKGXHRPLB-GDBMZVCRSA-N 1 2 345.830 0.920 20 30 ECEDLO CCS(=O)(=O)CC(=O)N[C@@H]1CC12CC[NH+](CC#CCOC)CC2 ZINC001266382512 835793354 /nfs/dbraw/zinc/79/33/54/835793354.db2.gz RAEYGJHUFDEGDF-CQSZACIVSA-N 1 2 342.461 0.042 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(=O)c(OC)co1 ZINC001266465403 835867394 /nfs/dbraw/zinc/86/73/94/835867394.db2.gz VPQQJXDPIQYTDV-KBPBESRZSA-N 1 2 348.399 0.767 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(=O)c(OC)co1 ZINC001266465403 835867399 /nfs/dbraw/zinc/86/73/99/835867399.db2.gz VPQQJXDPIQYTDV-KBPBESRZSA-N 1 2 348.399 0.767 20 30 ECEDLO Cc1[nH]nc(Cl)c1C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001266467978 835869319 /nfs/dbraw/zinc/86/93/19/835869319.db2.gz HMVRFVLRDGTWLU-JTQLQIEISA-N 1 2 338.799 0.206 20 30 ECEDLO Cc1[nH]nc(Cl)c1C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001266467978 835869323 /nfs/dbraw/zinc/86/93/23/835869323.db2.gz HMVRFVLRDGTWLU-JTQLQIEISA-N 1 2 338.799 0.206 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2ncccn2n1 ZINC001266486920 835886825 /nfs/dbraw/zinc/88/68/25/835886825.db2.gz SCAMYYDRCBDKGC-CYBMUJFWSA-N 1 2 342.403 0.226 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc2ncccn2n1 ZINC001266486920 835886831 /nfs/dbraw/zinc/88/68/31/835886831.db2.gz SCAMYYDRCBDKGC-CYBMUJFWSA-N 1 2 342.403 0.226 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccnnc1C ZINC001266844347 836371426 /nfs/dbraw/zinc/37/14/26/836371426.db2.gz JOFMBTHPDNDQOG-AWEZNQCLSA-N 1 2 331.420 0.672 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccnnc1C ZINC001266844347 836371435 /nfs/dbraw/zinc/37/14/35/836371435.db2.gz JOFMBTHPDNDQOG-AWEZNQCLSA-N 1 2 331.420 0.672 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)c1c[nH]nc1CCC ZINC001266845318 836373029 /nfs/dbraw/zinc/37/30/29/836373029.db2.gz WHFRDTSTKFGEPW-AWEZNQCLSA-N 1 2 345.447 0.696 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1c[nH]nc1CCC ZINC001266845318 836373035 /nfs/dbraw/zinc/37/30/35/836373035.db2.gz WHFRDTSTKFGEPW-AWEZNQCLSA-N 1 2 345.447 0.696 20 30 ECEDLO C#Cc1ccc(C(=O)NCC[N@@H+](C)CC(=O)NC[C@@H]2CCOC2)cc1 ZINC001267211505 836998931 /nfs/dbraw/zinc/99/89/31/836998931.db2.gz WCLGXRYBLZZFKH-INIZCTEOSA-N 1 2 343.427 0.482 20 30 ECEDLO C#Cc1ccc(C(=O)NCC[N@H+](C)CC(=O)NC[C@@H]2CCOC2)cc1 ZINC001267211505 836998936 /nfs/dbraw/zinc/99/89/36/836998936.db2.gz WCLGXRYBLZZFKH-INIZCTEOSA-N 1 2 343.427 0.482 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1ccc(N2CCCC2)nc1 ZINC001267221745 837015599 /nfs/dbraw/zinc/01/55/99/837015599.db2.gz VRXYQUXFHKHZHV-UHFFFAOYSA-N 1 2 343.431 0.093 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccc(N2CCCC2)nc1 ZINC001267221745 837015607 /nfs/dbraw/zinc/01/56/07/837015607.db2.gz VRXYQUXFHKHZHV-UHFFFAOYSA-N 1 2 343.431 0.093 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)CCNC(=O)[C@H]1CCO[C@H]1C ZINC001267225181 837022424 /nfs/dbraw/zinc/02/24/24/837022424.db2.gz QTUYWBYMWKXDEZ-GJZGRUSLSA-N 1 2 325.453 0.884 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCO[C@H]1C ZINC001267225181 837022434 /nfs/dbraw/zinc/02/24/34/837022434.db2.gz QTUYWBYMWKXDEZ-GJZGRUSLSA-N 1 2 325.453 0.884 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1cnn(C(C)(C)C)c1CC ZINC001267230447 837034021 /nfs/dbraw/zinc/03/40/21/837034021.db2.gz OFRRYRXZZQSOAU-UHFFFAOYSA-N 1 2 347.463 0.612 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1cnn(C(C)(C)C)c1CC ZINC001267230447 837034036 /nfs/dbraw/zinc/03/40/36/837034036.db2.gz OFRRYRXZZQSOAU-UHFFFAOYSA-N 1 2 347.463 0.612 20 30 ECEDLO COc1cncc(C[N@@H+]2CCC[C@@H]2CNC(=O)CSCC#N)n1 ZINC001267259355 837085476 /nfs/dbraw/zinc/08/54/76/837085476.db2.gz ADJLDGPFRHEVBQ-CYBMUJFWSA-N 1 2 335.433 0.823 20 30 ECEDLO COc1cncc(C[N@H+]2CCC[C@@H]2CNC(=O)CSCC#N)n1 ZINC001267259355 837085483 /nfs/dbraw/zinc/08/54/83/837085483.db2.gz ADJLDGPFRHEVBQ-CYBMUJFWSA-N 1 2 335.433 0.823 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2nc(CC3CC3)no2)C1 ZINC001267292563 837144502 /nfs/dbraw/zinc/14/45/02/837144502.db2.gz CGCAPJLGEQCISG-UKRRQHHQSA-N 1 2 346.431 0.999 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2nc(CC3CC3)no2)C1 ZINC001267292563 837144507 /nfs/dbraw/zinc/14/45/07/837144507.db2.gz CGCAPJLGEQCISG-UKRRQHHQSA-N 1 2 346.431 0.999 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CCN(C)C(=O)C[C@H]2C=CCC2)CC1 ZINC001267605029 837939795 /nfs/dbraw/zinc/93/97/95/837939795.db2.gz KCLSNZPZABOEFU-KRWDZBQOSA-N 1 2 346.475 0.168 20 30 ECEDLO CC(C)C#CC(=O)N(C)CCN1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC001267607489 837950730 /nfs/dbraw/zinc/95/07/30/837950730.db2.gz KJHQBFSNLSRCLW-MRXNPFEDSA-N 1 2 334.464 0.000 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@H]1COc2ccccc2C1 ZINC001267609414 837969705 /nfs/dbraw/zinc/96/97/05/837969705.db2.gz ZRGGIRHVLLLICD-QGZVFWFLSA-N 1 2 342.443 0.837 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccnc(OC)n2)C1 ZINC001267611705 837976406 /nfs/dbraw/zinc/97/64/06/837976406.db2.gz GHFNBXSEUMGNNE-CXAGYDPISA-N 1 2 334.420 0.893 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccnc(OC)n2)C1 ZINC001267611705 837976416 /nfs/dbraw/zinc/97/64/16/837976416.db2.gz GHFNBXSEUMGNNE-CXAGYDPISA-N 1 2 334.420 0.893 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)C2(CCOC)CC2)C1 ZINC001267615573 837996823 /nfs/dbraw/zinc/99/68/23/837996823.db2.gz RJVODSWJMDCROB-HUUCEWRRSA-N 1 2 335.448 0.522 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C2(CCOC)CC2)C1 ZINC001267615573 837996830 /nfs/dbraw/zinc/99/68/30/837996830.db2.gz RJVODSWJMDCROB-HUUCEWRRSA-N 1 2 335.448 0.522 20 30 ECEDLO C#CCOCCC(=O)NCC1C[NH+](CC(=O)N2C[C@@H](C)C[C@H](C)C2)C1 ZINC001267681445 838241640 /nfs/dbraw/zinc/24/16/40/838241640.db2.gz MZUYRKDHNRCCLF-HOTGVXAUSA-N 1 2 349.475 0.579 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)CC[C@H]2CCCCO2)C1 ZINC001267693932 838275283 /nfs/dbraw/zinc/27/52/83/838275283.db2.gz VXOZHIMDUTWDQS-GDBMZVCRSA-N 1 2 335.448 0.522 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cnccc1C ZINC001267708254 838315776 /nfs/dbraw/zinc/31/57/76/838315776.db2.gz FQSQQPYDLLVJHZ-PVAVHDDUSA-N 1 2 342.443 0.908 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cnccc1C ZINC001267708254 838315782 /nfs/dbraw/zinc/31/57/82/838315782.db2.gz FQSQQPYDLLVJHZ-PVAVHDDUSA-N 1 2 342.443 0.908 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccncc2C)C1 ZINC001267722618 838378788 /nfs/dbraw/zinc/37/87/88/838378788.db2.gz KDBXZWBOAOWVQE-ZDUSSCGKSA-N 1 2 345.403 0.206 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccncc2C)C1 ZINC001267722618 838378796 /nfs/dbraw/zinc/37/87/96/838378796.db2.gz KDBXZWBOAOWVQE-ZDUSSCGKSA-N 1 2 345.403 0.206 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001267726927 838407280 /nfs/dbraw/zinc/40/72/80/838407280.db2.gz XYSQLAKZVDXRBM-AWEZNQCLSA-N 1 2 341.415 0.978 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001267726927 838407287 /nfs/dbraw/zinc/40/72/87/838407287.db2.gz XYSQLAKZVDXRBM-AWEZNQCLSA-N 1 2 341.415 0.978 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](CC)CC(F)(F)F)C1 ZINC001267732739 838420946 /nfs/dbraw/zinc/42/09/46/838420946.db2.gz ZJODTFPXUQRAPF-RYUDHWBXSA-N 1 2 333.354 0.905 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)CC(F)(F)F)C1 ZINC001267732739 838420949 /nfs/dbraw/zinc/42/09/49/838420949.db2.gz ZJODTFPXUQRAPF-RYUDHWBXSA-N 1 2 333.354 0.905 20 30 ECEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001267741193 838441648 /nfs/dbraw/zinc/44/16/48/838441648.db2.gz MZDGWCSJBUZWNI-QWHCGFSZSA-N 1 2 336.436 0.461 20 30 ECEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001267741193 838441651 /nfs/dbraw/zinc/44/16/51/838441651.db2.gz MZDGWCSJBUZWNI-QWHCGFSZSA-N 1 2 336.436 0.461 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCn2cccc2)C1 ZINC001267751449 838473846 /nfs/dbraw/zinc/47/38/46/838473846.db2.gz ZMOVQNHQNUMAOE-CQSZACIVSA-N 1 2 347.419 0.081 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CCn2cccc2)C1 ZINC001267751449 838473850 /nfs/dbraw/zinc/47/38/50/838473850.db2.gz ZMOVQNHQNUMAOE-CQSZACIVSA-N 1 2 347.419 0.081 20 30 ECEDLO C#CCCCC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NC(=O)NCC=C)C1 ZINC001267764304 838495579 /nfs/dbraw/zinc/49/55/79/838495579.db2.gz NZDVXOIOYJPAHO-CQSZACIVSA-N 1 2 334.420 0.334 20 30 ECEDLO C#CCCCC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NC(=O)NCC=C)C1 ZINC001267764304 838495585 /nfs/dbraw/zinc/49/55/85/838495585.db2.gz NZDVXOIOYJPAHO-CQSZACIVSA-N 1 2 334.420 0.334 20 30 ECEDLO C#CCCCCC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NC(=O)NCC)C1 ZINC001267765170 838499130 /nfs/dbraw/zinc/49/91/30/838499130.db2.gz WJDKBNYOJKRGNS-CQSZACIVSA-N 1 2 336.436 0.558 20 30 ECEDLO C#CCCCCC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NC(=O)NCC)C1 ZINC001267765170 838499132 /nfs/dbraw/zinc/49/91/32/838499132.db2.gz WJDKBNYOJKRGNS-CQSZACIVSA-N 1 2 336.436 0.558 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001267767302 838503692 /nfs/dbraw/zinc/50/36/92/838503692.db2.gz DYVDCULEMQPSHE-QSJFSLAZSA-N 1 2 333.432 0.084 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001267767302 838503697 /nfs/dbraw/zinc/50/36/97/838503697.db2.gz DYVDCULEMQPSHE-QSJFSLAZSA-N 1 2 333.432 0.084 20 30 ECEDLO CN(C(=O)c1n[nH]c2c1CCCC2)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267768846 838509754 /nfs/dbraw/zinc/50/97/54/838509754.db2.gz QWQMLSUDHGARNZ-LBPRGKRZSA-N 1 2 344.419 0.075 20 30 ECEDLO CN(C(=O)c1n[nH]c2c1CCCC2)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267768846 838509756 /nfs/dbraw/zinc/50/97/56/838509756.db2.gz QWQMLSUDHGARNZ-LBPRGKRZSA-N 1 2 344.419 0.075 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C(C)C)on2)C1 ZINC001267769296 838514569 /nfs/dbraw/zinc/51/45/69/838514569.db2.gz WPLAAFSRMAWTJA-CYBMUJFWSA-N 1 2 332.404 0.694 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C(C)C)on2)C1 ZINC001267769296 838514575 /nfs/dbraw/zinc/51/45/75/838514575.db2.gz WPLAAFSRMAWTJA-CYBMUJFWSA-N 1 2 332.404 0.694 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2oncc2C)C1 ZINC001267774691 838537205 /nfs/dbraw/zinc/53/72/05/838537205.db2.gz JQFHXOGLBMNRRA-GFCCVEGCSA-N 1 2 349.391 0.141 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2oncc2C)C1 ZINC001267774691 838537211 /nfs/dbraw/zinc/53/72/11/838537211.db2.gz JQFHXOGLBMNRRA-GFCCVEGCSA-N 1 2 349.391 0.141 20 30 ECEDLO CCN(C(=O)c1csnc1C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267783995 838558176 /nfs/dbraw/zinc/55/81/76/838558176.db2.gz MXZYBDUXNWFNFZ-LBPRGKRZSA-N 1 2 335.433 0.628 20 30 ECEDLO CCN(C(=O)c1csnc1C)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267783995 838558179 /nfs/dbraw/zinc/55/81/79/838558179.db2.gz MXZYBDUXNWFNFZ-LBPRGKRZSA-N 1 2 335.433 0.628 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001267789716 838570407 /nfs/dbraw/zinc/57/04/07/838570407.db2.gz KIQUZUUQAYRKLE-NEPJUHHUSA-N 1 2 342.827 0.650 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001267789716 838570412 /nfs/dbraw/zinc/57/04/12/838570412.db2.gz KIQUZUUQAYRKLE-NEPJUHHUSA-N 1 2 342.827 0.650 20 30 ECEDLO C[N@H+](CCS(N)(=O)=O)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC001414185166 838583411 /nfs/dbraw/zinc/58/34/11/838583411.db2.gz HXWAIBXOBZICOI-UHFFFAOYSA-N 1 2 348.432 0.579 20 30 ECEDLO C[N@@H+](CCS(N)(=O)=O)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC001414185166 838583417 /nfs/dbraw/zinc/58/34/17/838583417.db2.gz HXWAIBXOBZICOI-UHFFFAOYSA-N 1 2 348.432 0.579 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cc(C)nnc2CC)C1 ZINC001267942218 838828446 /nfs/dbraw/zinc/82/84/46/838828446.db2.gz DFUMIJORPXQXEM-CQSZACIVSA-N 1 2 343.431 0.291 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)nnc2CC)C1 ZINC001267942218 838828456 /nfs/dbraw/zinc/82/84/56/838828456.db2.gz DFUMIJORPXQXEM-CQSZACIVSA-N 1 2 343.431 0.291 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC(C)(C)COC)C1 ZINC001267956312 838860070 /nfs/dbraw/zinc/86/00/70/838860070.db2.gz CDJXPVIISPCSKD-CQSZACIVSA-N 1 2 325.453 0.932 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC(C)(C)COC)C1 ZINC001267956312 838860085 /nfs/dbraw/zinc/86/00/85/838860085.db2.gz CDJXPVIISPCSKD-CQSZACIVSA-N 1 2 325.453 0.932 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2[nH]c(C)nc2C)C1 ZINC001267966720 838884913 /nfs/dbraw/zinc/88/49/13/838884913.db2.gz POMKWDOPHSJIAK-TZMCWYRMSA-N 1 2 331.420 0.359 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2[nH]c(C)nc2C)C1 ZINC001267966720 838884923 /nfs/dbraw/zinc/88/49/23/838884923.db2.gz POMKWDOPHSJIAK-TZMCWYRMSA-N 1 2 331.420 0.359 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001267967264 838885305 /nfs/dbraw/zinc/88/53/05/838885305.db2.gz ZCOMMPSHKYURGW-MGPQQGTHSA-N 1 2 330.388 0.603 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001267967264 838885318 /nfs/dbraw/zinc/88/53/18/838885318.db2.gz ZCOMMPSHKYURGW-MGPQQGTHSA-N 1 2 330.388 0.603 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)C(C)C)C1 ZINC001267971100 838893076 /nfs/dbraw/zinc/89/30/76/838893076.db2.gz ZGPIAOBCBCRVMX-UONOGXRCSA-N 1 2 338.452 0.871 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C(C)C)C1 ZINC001267971100 838893082 /nfs/dbraw/zinc/89/30/82/838893082.db2.gz ZGPIAOBCBCRVMX-UONOGXRCSA-N 1 2 338.452 0.871 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C(C)(C)N2CCOCC2)C1 ZINC001268024784 839015667 /nfs/dbraw/zinc/01/56/67/839015667.db2.gz CKHYPYKEKSPWSY-OAHLLOKOSA-N 1 2 325.453 0.490 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C(C)(C)N2CCOCC2)C1 ZINC001268024784 839015677 /nfs/dbraw/zinc/01/56/77/839015677.db2.gz CKHYPYKEKSPWSY-OAHLLOKOSA-N 1 2 325.453 0.490 20 30 ECEDLO COC(=O)CNC(=O)[C@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554453 219136716 /nfs/dbraw/zinc/13/67/16/219136716.db2.gz YRHGCUJNIPHTHK-ZDUSSCGKSA-N 1 2 330.388 0.358 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 ZINC000016439480 211902120 /nfs/dbraw/zinc/90/21/20/211902120.db2.gz DJMGEINCYIXWEY-UHFFFAOYSA-N 1 2 342.399 0.061 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(OC)c2O)CC1 ZINC000265070938 247178183 /nfs/dbraw/zinc/17/81/83/247178183.db2.gz NYJWLVQNPXZLRX-UHFFFAOYSA-N 1 2 345.399 0.298 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(OC)c2O)CC1 ZINC000265070938 247178187 /nfs/dbraw/zinc/17/81/87/247178187.db2.gz NYJWLVQNPXZLRX-UHFFFAOYSA-N 1 2 345.399 0.298 20 30 ECEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N(C)CC[NH+]2CCOCC2)c1 ZINC000453703506 211530888 /nfs/dbraw/zinc/53/08/88/211530888.db2.gz BUOKOVZNYRHZIV-UHFFFAOYSA-N 1 2 330.388 0.596 20 30 ECEDLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000447404788 211188253 /nfs/dbraw/zinc/18/82/53/211188253.db2.gz UVTZPJAPPPXFCF-OIISXLGYSA-N 1 2 347.415 0.430 20 30 ECEDLO COCCO[C@@H]1C[C@@H](CO)C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000447404788 211188256 /nfs/dbraw/zinc/18/82/56/211188256.db2.gz UVTZPJAPPPXFCF-OIISXLGYSA-N 1 2 347.415 0.430 20 30 ECEDLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000447398278 211187496 /nfs/dbraw/zinc/18/74/96/211187496.db2.gz SAZDFGZMWZRFNB-NVXWUHKLSA-N 1 2 347.415 0.843 20 30 ECEDLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000447398278 211187500 /nfs/dbraw/zinc/18/75/00/211187500.db2.gz SAZDFGZMWZRFNB-NVXWUHKLSA-N 1 2 347.415 0.843 20 30 ECEDLO C#CC[NH+](CC#C)CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000267752971 251314213 /nfs/dbraw/zinc/31/42/13/251314213.db2.gz DTBPIKUAYNGCQO-UHFFFAOYSA-N 1 2 327.340 0.674 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000444789585 285037757 /nfs/dbraw/zinc/03/77/57/285037757.db2.gz FFAIZNSFLYFMNO-ZIAGYGMSSA-N 1 2 329.466 0.894 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000444789585 285037758 /nfs/dbraw/zinc/03/77/58/285037758.db2.gz FFAIZNSFLYFMNO-ZIAGYGMSSA-N 1 2 329.466 0.894 20 30 ECEDLO N#C[C@@H]1CN(CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000106306337 254490607 /nfs/dbraw/zinc/49/06/07/254490607.db2.gz KFYCMSHTIZVHOU-OAHLLOKOSA-N 1 2 329.404 0.345 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)C1=O ZINC000281905845 254552446 /nfs/dbraw/zinc/55/24/46/254552446.db2.gz GCHUEJXAHSGVBO-MRXNPFEDSA-N 1 2 328.416 0.694 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000282793634 254554779 /nfs/dbraw/zinc/55/47/79/254554779.db2.gz JLWJYONDUKCJPZ-CQSZACIVSA-N 1 2 337.449 0.535 20 30 ECEDLO CN1C(=O)N[C@@H]2CN(C(=O)NCc3cn4c([nH+]3)CCCC4)CC[C@@H]21 ZINC000329105195 254597730 /nfs/dbraw/zinc/59/77/30/254597730.db2.gz DSKHANVOGYKNGJ-OLZOCXBDSA-N 1 2 332.408 0.936 20 30 ECEDLO C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000329618603 254612828 /nfs/dbraw/zinc/61/28/28/254612828.db2.gz QOSFYKRDXMENOD-WCQYABFASA-N 1 2 340.449 0.699 20 30 ECEDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000330638746 254640271 /nfs/dbraw/zinc/64/02/71/254640271.db2.gz WCKUDSNRTDURAA-GUTXKFCHSA-N 1 2 344.481 0.443 20 30 ECEDLO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000330638746 254640272 /nfs/dbraw/zinc/64/02/72/254640272.db2.gz WCKUDSNRTDURAA-GUTXKFCHSA-N 1 2 344.481 0.443 20 30 ECEDLO C#CCC(C)(C)C(=O)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000376945875 254756215 /nfs/dbraw/zinc/75/62/15/254756215.db2.gz AKEKFQRPVLYCCZ-OAHLLOKOSA-N 1 2 335.448 0.475 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)CC2(C#N)CCCC2)[C@@H](C)C1 ZINC000433366564 254794022 /nfs/dbraw/zinc/79/40/22/254794022.db2.gz RRMRFQWSNGBPLS-KBPBESRZSA-N 1 2 329.466 0.787 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)CC2(C#N)CCCC2)[C@@H](C)C1 ZINC000433366564 254794023 /nfs/dbraw/zinc/79/40/23/254794023.db2.gz RRMRFQWSNGBPLS-KBPBESRZSA-N 1 2 329.466 0.787 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2C2CC2)CC1 ZINC000491626660 254923427 /nfs/dbraw/zinc/92/34/27/254923427.db2.gz ITYOKTUZJURUTQ-UHFFFAOYSA-N 1 2 328.420 0.604 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496909574 255140785 /nfs/dbraw/zinc/14/07/85/255140785.db2.gz QJISBJZOZDHJHW-KBPBESRZSA-N 1 2 339.436 0.692 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496909574 255140787 /nfs/dbraw/zinc/14/07/87/255140787.db2.gz QJISBJZOZDHJHW-KBPBESRZSA-N 1 2 339.436 0.692 20 30 ECEDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2ccc(C#N)c(C)n2)CC1 ZINC000174386960 533598994 /nfs/dbraw/zinc/59/89/94/533598994.db2.gz ZEEWKKZQMFONGF-GFCCVEGCSA-N 1 2 330.388 0.971 20 30 ECEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(N3CCNC3=O)CC2)cc1 ZINC000193528385 165055282 /nfs/dbraw/zinc/05/52/82/165055282.db2.gz LKUBMIPLHPIDMI-UHFFFAOYSA-N 1 2 327.388 0.986 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000266848532 263179438 /nfs/dbraw/zinc/17/94/38/263179438.db2.gz BTYAOJKORAYHLQ-HNNXBMFYSA-N 1 2 346.431 0.179 20 30 ECEDLO C[C@H](CNC(=O)C(=O)N1CCc2ccc(C#N)cc21)[NH+]1CCOCC1 ZINC000270178651 263225716 /nfs/dbraw/zinc/22/57/16/263225716.db2.gz LKGUTKKJTNWVLN-CYBMUJFWSA-N 1 2 342.399 0.284 20 30 ECEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(O)(C(N)=O)CC1 ZINC000284301256 264196347 /nfs/dbraw/zinc/19/63/47/264196347.db2.gz OPXXOMPKSDSGRW-UHFFFAOYSA-N 1 2 336.779 0.462 20 30 ECEDLO C[C@@H]1NC(=O)N(CC[NH+]2CCN(c3cccc(F)c3C#N)CC2)C1=O ZINC000332150669 267097006 /nfs/dbraw/zinc/09/70/06/267097006.db2.gz QDSUWJLHFOWACI-LBPRGKRZSA-N 1 2 345.378 0.760 20 30 ECEDLO C[C@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H]1O ZINC000351821028 267229447 /nfs/dbraw/zinc/22/94/47/267229447.db2.gz QHYBTWPQLWYXKW-SWLSCSKDSA-N 1 2 325.372 0.995 20 30 ECEDLO C[C@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H]1O ZINC000351821028 267229450 /nfs/dbraw/zinc/22/94/50/267229450.db2.gz QHYBTWPQLWYXKW-SWLSCSKDSA-N 1 2 325.372 0.995 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000366222791 267784837 /nfs/dbraw/zinc/78/48/37/267784837.db2.gz PMIHVFWZNBTROC-KRWDZBQOSA-N 1 2 332.404 0.508 20 30 ECEDLO Cc1nn(C)c(N2CCN(C(=O)NCc3[nH+]ccn3C)CC2)c1C#N ZINC000530460733 268090117 /nfs/dbraw/zinc/09/01/17/268090117.db2.gz MKTNOGQTCIIQLJ-UHFFFAOYSA-N 1 2 342.407 0.366 20 30 ECEDLO Cc1nn(C)c(N2CCN(C(=O)Cc3c[nH+]cn3C)CC2)c1C#N ZINC000530469124 268090325 /nfs/dbraw/zinc/09/03/25/268090325.db2.gz HRRMAYMKDZRQFB-UHFFFAOYSA-N 1 2 327.392 0.225 20 30 ECEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)NC[C@@H]3CCCO3)C2)nc1 ZINC000292128832 268182060 /nfs/dbraw/zinc/18/20/60/268182060.db2.gz INKSVZQLPLQXFT-LSDHHAIUSA-N 1 2 330.388 0.702 20 30 ECEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)NC[C@@H]3CCCO3)C2)nc1 ZINC000292128832 268182062 /nfs/dbraw/zinc/18/20/62/268182062.db2.gz INKSVZQLPLQXFT-LSDHHAIUSA-N 1 2 330.388 0.702 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(CC(N)=O)CC2)nc1 ZINC000290199687 268187366 /nfs/dbraw/zinc/18/73/66/268187366.db2.gz GPNAJUDQVCCIPR-UHFFFAOYSA-N 1 2 336.417 0.314 20 30 ECEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccc(S(N)(=O)=O)cc2)C(N)=O)cc1 ZINC000360075586 268214108 /nfs/dbraw/zinc/21/41/08/268214108.db2.gz OKPPYDDPCREUTR-HNNXBMFYSA-N 1 2 344.396 0.522 20 30 ECEDLO N#Cc1ccccc1OCC[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000345210086 268282502 /nfs/dbraw/zinc/28/25/02/268282502.db2.gz RAXRERAYKKPQJP-UHFFFAOYSA-N 1 2 342.399 0.360 20 30 ECEDLO N#Cc1ccnc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)c1 ZINC000354862721 268288302 /nfs/dbraw/zinc/28/83/02/268288302.db2.gz UEWVQEZODUDEFK-HNNXBMFYSA-N 1 2 330.388 0.517 20 30 ECEDLO N#Cc1ccsc1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000293943407 268305582 /nfs/dbraw/zinc/30/55/82/268305582.db2.gz YVIRYXAGXHGQTC-CYBMUJFWSA-N 1 2 348.428 0.881 20 30 ECEDLO C[C@H]([C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1C#N)[NH+]1CCOCC1 ZINC000175979658 279592524 /nfs/dbraw/zinc/59/25/24/279592524.db2.gz AUMOVGCYMYOIIA-NWDGAFQWSA-N 1 2 348.378 0.861 20 30 ECEDLO CC(C)[C@H](C(=O)N[C@H](C)C[NH+]1CCOCC1)N1CCCS1(=O)=O ZINC000329160841 280133604 /nfs/dbraw/zinc/13/36/04/280133604.db2.gz FAHDNEGUCXZQSR-ZIAGYGMSSA-N 1 2 347.481 0.724 20 30 ECEDLO C[C@@H]1[C@H](C)S(=O)(=O)CCN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329595231 289022378 /nfs/dbraw/zinc/02/23/78/289022378.db2.gz IBNBJOJLPHWBIX-OUAUKWLOSA-N 1 2 326.422 0.688 20 30 ECEDLO C[C@@H]1[C@H](C)S(=O)(=O)CCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329595231 289022380 /nfs/dbraw/zinc/02/23/80/289022380.db2.gz IBNBJOJLPHWBIX-OUAUKWLOSA-N 1 2 326.422 0.688 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCO[C@]4(CCOC4)C3)C[C@H]21 ZINC000329166031 290079008 /nfs/dbraw/zinc/07/90/08/290079008.db2.gz HNNWSDYAVKALRG-KCYZZUKISA-N 1 2 339.436 0.643 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCO[C@]4(CCOC4)C3)C[C@H]21 ZINC000329166031 290079011 /nfs/dbraw/zinc/07/90/11/290079011.db2.gz HNNWSDYAVKALRG-KCYZZUKISA-N 1 2 339.436 0.643 20 30 ECEDLO CC[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(C#N)cc1 ZINC000015298864 436077844 /nfs/dbraw/zinc/07/78/44/436077844.db2.gz HLBSPGBJBBKNMQ-HNNXBMFYSA-N 1 2 335.429 0.683 20 30 ECEDLO CC[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(C#N)cc1 ZINC000015298864 436077854 /nfs/dbraw/zinc/07/78/54/436077854.db2.gz HLBSPGBJBBKNMQ-HNNXBMFYSA-N 1 2 335.429 0.683 20 30 ECEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000032543076 436239597 /nfs/dbraw/zinc/23/95/97/436239597.db2.gz ZFSRZNYHUCIAAN-CQSZACIVSA-N 1 2 343.431 0.591 20 30 ECEDLO CC(C)CNC(=O)NC(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029445198 436202098 /nfs/dbraw/zinc/20/20/98/436202098.db2.gz IXZXRQUHESFTKG-UHFFFAOYSA-N 1 2 344.419 0.557 20 30 ECEDLO CCNC(=O)CN1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000029670196 436206027 /nfs/dbraw/zinc/20/60/27/436206027.db2.gz WXCMTGDJPMXKMT-UHFFFAOYSA-N 1 2 349.460 0.702 20 30 ECEDLO CCNC(=O)C[NH+]1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000029670196 436206032 /nfs/dbraw/zinc/20/60/32/436206032.db2.gz WXCMTGDJPMXKMT-UHFFFAOYSA-N 1 2 349.460 0.702 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCO[C@@H](C)C3)CC2)o1 ZINC000029711688 436207731 /nfs/dbraw/zinc/20/77/31/436207731.db2.gz OJTQLLVKPXWXRD-LBPRGKRZSA-N 1 2 333.392 0.224 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCO[C@@H](C)C3)CC2)o1 ZINC000029711688 436207736 /nfs/dbraw/zinc/20/77/36/436207736.db2.gz OJTQLLVKPXWXRD-LBPRGKRZSA-N 1 2 333.392 0.224 20 30 ECEDLO N#Cc1cccnc1N1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000079256458 436294700 /nfs/dbraw/zinc/29/47/00/436294700.db2.gz OUZCFEQSMMNHHK-UHFFFAOYSA-N 1 2 325.376 0.682 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2nc(C)ncc2Cl)CC1 ZINC000077987113 436258291 /nfs/dbraw/zinc/25/82/91/436258291.db2.gz MNLRMSSYVBSDAI-UHFFFAOYSA-N 1 2 349.822 0.336 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2nc(C)ncc2Cl)CC1 ZINC000077987113 436258295 /nfs/dbraw/zinc/25/82/95/436258295.db2.gz MNLRMSSYVBSDAI-UHFFFAOYSA-N 1 2 349.822 0.336 20 30 ECEDLO CCn1nc2c(cc1=O)C[N@@H+](CC(=O)NC1(C#N)CCCCC1)CC2 ZINC000078617952 436272071 /nfs/dbraw/zinc/27/20/71/436272071.db2.gz ZOMDCOFAONNCJA-UHFFFAOYSA-N 1 2 343.431 0.964 20 30 ECEDLO CCn1nc2c(cc1=O)C[N@H+](CC(=O)NC1(C#N)CCCCC1)CC2 ZINC000078617952 436272077 /nfs/dbraw/zinc/27/20/77/436272077.db2.gz ZOMDCOFAONNCJA-UHFFFAOYSA-N 1 2 343.431 0.964 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000041739841 436282784 /nfs/dbraw/zinc/28/27/84/436282784.db2.gz NZZODSLQVQXEEN-CYBMUJFWSA-N 1 2 346.387 0.364 20 30 ECEDLO C=CCNC(=O)[C@@H](C)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000044741043 436347437 /nfs/dbraw/zinc/34/74/37/436347437.db2.gz GGSODFGVXHIHOZ-HZPDHXFCSA-N 1 2 336.480 0.696 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000044741043 436347441 /nfs/dbraw/zinc/34/74/41/436347441.db2.gz GGSODFGVXHIHOZ-HZPDHXFCSA-N 1 2 336.480 0.696 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(CC(=O)N[C@H](C)CC)CC1 ZINC000044743211 436347693 /nfs/dbraw/zinc/34/76/93/436347693.db2.gz WFPQSKIYKADDAG-MRXNPFEDSA-N 1 2 338.496 0.943 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCN(c3nccs3)CC2)CC1 ZINC000081647199 436352845 /nfs/dbraw/zinc/35/28/45/436352845.db2.gz KTDIRNOEXRXSDS-UHFFFAOYSA-N 1 2 333.461 0.043 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCC#Cc1ccccc1 ZINC000083697818 436375072 /nfs/dbraw/zinc/37/50/72/436375072.db2.gz HRYOQDYGMLVSOZ-QGZVFWFLSA-N 1 2 331.416 0.373 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000046778009 436399803 /nfs/dbraw/zinc/39/98/03/436399803.db2.gz DVOCQEIPQIMLCS-CYBMUJFWSA-N 1 2 346.391 0.872 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2ncc(Br)cn2)CC1 ZINC000051795576 436498183 /nfs/dbraw/zinc/49/81/83/436498183.db2.gz QJVGSWONLRTENW-UHFFFAOYSA-N 1 2 340.225 0.663 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000101562620 436548452 /nfs/dbraw/zinc/54/84/52/436548452.db2.gz LXFUGDNINBUNLW-MRXNPFEDSA-N 1 2 327.428 0.820 20 30 ECEDLO CCN(CCC#N)C(=O)C[NH+]1CCC(N(C)S(=O)(=O)CC)CC1 ZINC000109009172 436622531 /nfs/dbraw/zinc/62/25/31/436622531.db2.gz ULMOMHYGTRPIOG-UHFFFAOYSA-N 1 2 344.481 0.494 20 30 ECEDLO Cc1noc([C@H](C)N2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)n1 ZINC000105864260 436582037 /nfs/dbraw/zinc/58/20/37/436582037.db2.gz PAQODXRUOJOZQF-QWHCGFSZSA-N 1 2 334.424 0.817 20 30 ECEDLO N#Cc1ccc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)nc1 ZINC000107592106 436613621 /nfs/dbraw/zinc/61/36/21/436613621.db2.gz ZSMMMNRXOMGAPQ-UHFFFAOYSA-N 1 2 326.360 0.734 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC000114206099 436640079 /nfs/dbraw/zinc/64/00/79/436640079.db2.gz CLUZBUDKXWAPBJ-UHFFFAOYSA-N 1 2 326.441 0.431 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000114206099 436640080 /nfs/dbraw/zinc/64/00/80/436640080.db2.gz CLUZBUDKXWAPBJ-UHFFFAOYSA-N 1 2 326.441 0.431 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000539785847 302173024 /nfs/dbraw/zinc/17/30/24/302173024.db2.gz XKHFWIRUCSPAOD-CQSZACIVSA-N 1 2 337.807 0.977 20 30 ECEDLO N#Cc1ccc([C@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)C(N)=O)cc1 ZINC000115600153 436647936 /nfs/dbraw/zinc/64/79/36/436647936.db2.gz NMNRONLLZCBYNE-NEPJUHHUSA-N 1 2 340.305 0.837 20 30 ECEDLO COCC[N@H+]([C@H](C)C(N)=O)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248799903 436811142 /nfs/dbraw/zinc/81/11/42/436811142.db2.gz ZWTUTQRYLSUHHG-CJNGLKHVSA-N 1 2 344.415 0.876 20 30 ECEDLO COCC[N@@H+]([C@H](C)C(N)=O)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248799903 436811144 /nfs/dbraw/zinc/81/11/44/436811144.db2.gz ZWTUTQRYLSUHHG-CJNGLKHVSA-N 1 2 344.415 0.876 20 30 ECEDLO N#Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CC(=O)NC3CC3)CC2)c1 ZINC000274329219 436816372 /nfs/dbraw/zinc/81/63/72/436816372.db2.gz MIESRZLFXNBCJE-UHFFFAOYSA-N 1 2 329.360 0.867 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCO[C@@H](c3ccsc3)C2)CC1 ZINC000125482675 436771230 /nfs/dbraw/zinc/77/12/30/436771230.db2.gz TWWNJEUHRPVOTD-MRXNPFEDSA-N 1 2 333.457 0.899 20 30 ECEDLO CC#CCC[NH+]1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000155095207 436790471 /nfs/dbraw/zinc/79/04/71/436790471.db2.gz KYOTYLLBAHDFME-GJZGRUSLSA-N 1 2 329.466 0.371 20 30 ECEDLO C[C@@H](NC(=O)N(CCO)CC[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000158507545 436847497 /nfs/dbraw/zinc/84/74/97/436847497.db2.gz UPIOGMWITBPMFN-OAHLLOKOSA-N 1 2 346.431 0.955 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(c2nc(CC(C)C)ns2)CC1 ZINC000274636250 436853355 /nfs/dbraw/zinc/85/33/55/436853355.db2.gz CEEGPLRYFPKFGV-UHFFFAOYSA-N 1 2 335.477 0.998 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2nc(CC(C)C)ns2)CC1 ZINC000274636250 436853360 /nfs/dbraw/zinc/85/33/60/436853360.db2.gz CEEGPLRYFPKFGV-UHFFFAOYSA-N 1 2 335.477 0.998 20 30 ECEDLO C=CCNc1ncc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)s1 ZINC000129077332 436823512 /nfs/dbraw/zinc/82/35/12/436823512.db2.gz OWNMMJMZIURTDT-LBPRGKRZSA-N 1 2 340.449 0.506 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000134314159 436893691 /nfs/dbraw/zinc/89/36/91/436893691.db2.gz YOQIOAAPJMDLHK-KBPBESRZSA-N 1 2 344.481 0.397 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000134314159 436893694 /nfs/dbraw/zinc/89/36/94/436893694.db2.gz YOQIOAAPJMDLHK-KBPBESRZSA-N 1 2 344.481 0.397 20 30 ECEDLO COc1ccc(CN2CC[NH+](CC(=O)NC3CC3)CC2)cc1C#N ZINC000134955291 436905366 /nfs/dbraw/zinc/90/53/66/436905366.db2.gz DLUYANCCOITWGJ-UHFFFAOYSA-N 1 2 328.416 0.963 20 30 ECEDLO COc1ccc(C[NH+]2CCN(CC(=O)NC3CC3)CC2)cc1C#N ZINC000134955291 436905369 /nfs/dbraw/zinc/90/53/69/436905369.db2.gz DLUYANCCOITWGJ-UHFFFAOYSA-N 1 2 328.416 0.963 20 30 ECEDLO COCC[N@H+](Cc1cn(CC(=O)OC)nn1)Cc1ccc(C#N)cc1 ZINC000294779261 436962078 /nfs/dbraw/zinc/96/20/78/436962078.db2.gz KBEAPDRYUWQAKZ-UHFFFAOYSA-N 1 2 343.387 0.971 20 30 ECEDLO COCC[N@@H+](Cc1cn(CC(=O)OC)nn1)Cc1ccc(C#N)cc1 ZINC000294779261 436962082 /nfs/dbraw/zinc/96/20/82/436962082.db2.gz KBEAPDRYUWQAKZ-UHFFFAOYSA-N 1 2 343.387 0.971 20 30 ECEDLO C[C@@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000164872768 436933321 /nfs/dbraw/zinc/93/33/21/436933321.db2.gz WLPUGNFGYFILKL-ABAIWWIYSA-N 1 2 341.408 0.836 20 30 ECEDLO C[C@@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000164872768 436933325 /nfs/dbraw/zinc/93/33/25/436933325.db2.gz WLPUGNFGYFILKL-ABAIWWIYSA-N 1 2 341.408 0.836 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CNc1cccc(C#N)c1 ZINC000164438355 436933689 /nfs/dbraw/zinc/93/36/89/436933689.db2.gz MARZUABUNSIXCE-MRXNPFEDSA-N 1 2 332.404 0.122 20 30 ECEDLO Cn1c(C[NH+]2CCN(c3ccccc3C#N)CC2)cc(=O)n(C)c1=O ZINC000170646494 436947640 /nfs/dbraw/zinc/94/76/40/436947640.db2.gz WXCVYIZADCUWJF-UHFFFAOYSA-N 1 2 339.399 0.278 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000282818119 437019817 /nfs/dbraw/zinc/01/98/17/437019817.db2.gz LLRLXXZVZZYODD-ZDUSSCGKSA-N 1 2 326.422 0.733 20 30 ECEDLO C=CCN(C)C(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000297956687 437021205 /nfs/dbraw/zinc/02/12/05/437021205.db2.gz WSHNDOLGLWAWGR-UHFFFAOYSA-N 1 2 331.416 0.854 20 30 ECEDLO C=C(C)CN(CC)C(=O)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000283312905 437028312 /nfs/dbraw/zinc/02/83/12/437028312.db2.gz DLSNBLFPJUIFJF-UHFFFAOYSA-N 1 2 346.431 0.959 20 30 ECEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC(=O)N[C@@H](C)C2)c(OC)c1 ZINC000296113416 436983411 /nfs/dbraw/zinc/98/34/11/436983411.db2.gz HCYVMFPWNBYYCT-DZGCQCFKSA-N 1 2 334.416 0.984 20 30 ECEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC(=O)N[C@@H](C)C2)c(OC)c1 ZINC000296113416 436983413 /nfs/dbraw/zinc/98/34/13/436983413.db2.gz HCYVMFPWNBYYCT-DZGCQCFKSA-N 1 2 334.416 0.984 20 30 ECEDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000275582958 436987418 /nfs/dbraw/zinc/98/74/18/436987418.db2.gz PZPJUVUQCNLWFG-GOEBONIOSA-N 1 2 331.372 0.885 20 30 ECEDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000275582958 436987420 /nfs/dbraw/zinc/98/74/20/436987420.db2.gz PZPJUVUQCNLWFG-GOEBONIOSA-N 1 2 331.372 0.885 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000298564529 437044054 /nfs/dbraw/zinc/04/40/54/437044054.db2.gz LUCYPNDOZNSZSF-NEPJUHHUSA-N 1 2 331.438 0.143 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000298564529 437044057 /nfs/dbraw/zinc/04/40/57/437044057.db2.gz LUCYPNDOZNSZSF-NEPJUHHUSA-N 1 2 331.438 0.143 20 30 ECEDLO CNC(=O)[C@H](NC(=O)CO[NH+]=C(N)[C@H]1CCCO1)c1ccccc1 ZINC000284378336 437053598 /nfs/dbraw/zinc/05/35/98/437053598.db2.gz LWEDIOGFUZDCKP-TZMCWYRMSA-N 1 2 334.376 0.058 20 30 ECEDLO COC(=O)CN(CC[NH+]1CCOCC1)C(=O)c1cccc(C#N)c1 ZINC000264674553 437062813 /nfs/dbraw/zinc/06/28/13/437062813.db2.gz ZLAVCOGSBYVJSN-UHFFFAOYSA-N 1 2 331.372 0.506 20 30 ECEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000299454750 437078814 /nfs/dbraw/zinc/07/88/14/437078814.db2.gz ZMCFJBMAVLXVJX-OAHLLOKOSA-N 1 2 327.384 0.521 20 30 ECEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)C[C@@H]21 ZINC000285261215 437077247 /nfs/dbraw/zinc/07/72/47/437077247.db2.gz OEHOSZSTCYYSPM-GJZGRUSLSA-N 1 2 328.372 0.428 20 30 ECEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)C[C@@H]21 ZINC000285261215 437077250 /nfs/dbraw/zinc/07/72/50/437077250.db2.gz OEHOSZSTCYYSPM-GJZGRUSLSA-N 1 2 328.372 0.428 20 30 ECEDLO Cn1cc(N2CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)cn1 ZINC000174906281 437090424 /nfs/dbraw/zinc/09/04/24/437090424.db2.gz UWSKHQTXGKQQPG-UHFFFAOYSA-N 1 2 329.408 0.198 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(NC(N)=O)CC2)cc1 ZINC000175757488 437115782 /nfs/dbraw/zinc/11/57/82/437115782.db2.gz GXUHUXDWIXUNOE-UHFFFAOYSA-N 1 2 336.417 0.465 20 30 ECEDLO N#Cc1ccccc1C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000265398002 437120534 /nfs/dbraw/zinc/12/05/34/437120534.db2.gz XDDRRRXRYKMKEA-JKSUJKDBSA-N 1 2 335.429 0.146 20 30 ECEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2nc3ccccn3c2C#N)CC1 ZINC000302082642 437139930 /nfs/dbraw/zinc/13/99/30/437139930.db2.gz JPHMSKIXDUNRFN-ZDUSSCGKSA-N 1 2 338.415 0.995 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000331966775 437187201 /nfs/dbraw/zinc/18/72/01/437187201.db2.gz KYKQUBVKUPNWHB-CQSZACIVSA-N 1 2 331.482 0.767 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000331966775 437187204 /nfs/dbraw/zinc/18/72/04/437187204.db2.gz KYKQUBVKUPNWHB-CQSZACIVSA-N 1 2 331.482 0.767 20 30 ECEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178721746 437224696 /nfs/dbraw/zinc/22/46/96/437224696.db2.gz JQQSFZPXSKIYNV-INIZCTEOSA-N 1 2 344.463 0.462 20 30 ECEDLO Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CCC(C#N)CC2)CC1 ZINC000332520564 437227657 /nfs/dbraw/zinc/22/76/57/437227657.db2.gz PJMHPWCUOQAHDQ-UHFFFAOYSA-N 1 2 341.415 0.801 20 30 ECEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328673377 437250785 /nfs/dbraw/zinc/25/07/85/437250785.db2.gz IZQKWRJEGVGSRY-OKILXGFUSA-N 1 2 348.403 0.872 20 30 ECEDLO CS(=O)(=O)N1CCC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000329010734 437303788 /nfs/dbraw/zinc/30/37/88/437303788.db2.gz ZRFRBWDXQZYPFC-NEPJUHHUSA-N 1 2 326.422 0.826 20 30 ECEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCO[C@]3(CCCOC3)C2)C1 ZINC000329060616 437310725 /nfs/dbraw/zinc/31/07/25/437310725.db2.gz JKMPTLPNBUWOER-NVXWUHKLSA-N 1 2 339.436 0.835 20 30 ECEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCO[C@]3(CCCOC3)C2)C1 ZINC000329060616 437310727 /nfs/dbraw/zinc/31/07/27/437310727.db2.gz JKMPTLPNBUWOER-NVXWUHKLSA-N 1 2 339.436 0.835 20 30 ECEDLO CO[C@@H]1C[C@@H](CO)[N@H+](CC(=O)N[C@H](C)C(=O)N2CCCCC2)C1 ZINC000329063740 437311151 /nfs/dbraw/zinc/31/11/51/437311151.db2.gz ZZUCEHQWRBWDSE-HZSPNIEDSA-N 1 2 327.425 0.426 20 30 ECEDLO Cn1c(NCCc2[nH]c3ccc(F)cc3[nH+]2)c(C#N)c(=O)n(C)c1=O ZINC000267249884 437311088 /nfs/dbraw/zinc/31/10/88/437311088.db2.gz ULAMPIHYZDKAPK-UHFFFAOYSA-N 1 2 342.334 0.626 20 30 ECEDLO CO[C@@H]1C[C@@H](CO)[N@@H+](CC(=O)N[C@H](C)C(=O)N2CCCCC2)C1 ZINC000329063740 437311156 /nfs/dbraw/zinc/31/11/56/437311156.db2.gz ZZUCEHQWRBWDSE-HZSPNIEDSA-N 1 2 327.425 0.426 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3cnn(-c4ncccn4)c3)C[C@H]21 ZINC000329059259 437311957 /nfs/dbraw/zinc/31/19/57/437311957.db2.gz YQPUNODZCKVPOS-ZIAGYGMSSA-N 1 2 343.391 0.613 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3cnn(-c4ncccn4)c3)C[C@H]21 ZINC000329059259 437311960 /nfs/dbraw/zinc/31/19/60/437311960.db2.gz YQPUNODZCKVPOS-ZIAGYGMSSA-N 1 2 343.391 0.613 20 30 ECEDLO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1csc(S(C)(=O)=O)c1 ZINC000329088574 437314241 /nfs/dbraw/zinc/31/42/41/437314241.db2.gz VPXABUAHAWRJCP-LLVKDONJSA-N 1 2 331.463 0.702 20 30 ECEDLO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1csc(S(C)(=O)=O)c1 ZINC000329088574 437314246 /nfs/dbraw/zinc/31/42/46/437314246.db2.gz VPXABUAHAWRJCP-LLVKDONJSA-N 1 2 331.463 0.702 20 30 ECEDLO C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000179764752 437272649 /nfs/dbraw/zinc/27/26/49/437272649.db2.gz HCQHCZCVOOVPJV-UHFFFAOYSA-N 1 2 327.344 0.229 20 30 ECEDLO CO/N=C/c1ccc(C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)cc1 ZINC000267130854 437294750 /nfs/dbraw/zinc/29/47/50/437294750.db2.gz LQYNEEKCBQFALC-XDHOZWIPSA-N 1 2 332.404 0.689 20 30 ECEDLO C=CCN1CC[C@@H](N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)C1=O ZINC000337199116 437340004 /nfs/dbraw/zinc/34/00/04/437340004.db2.gz YNEOARVFQLZXKE-HZPDHXFCSA-N 1 2 334.464 0.402 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN([C@H](C)C(=O)N3CCCC3)CC2)C1=O ZINC000337199116 437340007 /nfs/dbraw/zinc/34/00/07/437340007.db2.gz YNEOARVFQLZXKE-HZPDHXFCSA-N 1 2 334.464 0.402 20 30 ECEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000329272553 437343938 /nfs/dbraw/zinc/34/39/38/437343938.db2.gz JRVKBSLVGDFWLJ-OAGGEKHMSA-N 1 2 340.468 0.416 20 30 ECEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCC[C@H]3CO)ccn2)CC1 ZINC000329304237 437349480 /nfs/dbraw/zinc/34/94/80/437349480.db2.gz XUJKVRNRKXOBQB-AWEZNQCLSA-N 1 2 347.419 0.471 20 30 ECEDLO C[C@@H]1C[C@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCO1 ZINC000329302349 437349630 /nfs/dbraw/zinc/34/96/30/437349630.db2.gz WJCZTOYKTCRTJC-KFWWJZLASA-N 1 2 339.436 0.691 20 30 ECEDLO COc1cccc(C(=O)NCC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000329336100 437354214 /nfs/dbraw/zinc/35/42/14/437354214.db2.gz OXOVQEONDRJOFM-GJZGRUSLSA-N 1 2 333.388 0.541 20 30 ECEDLO COc1cccc(C(=O)NCC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000329336100 437354218 /nfs/dbraw/zinc/35/42/18/437354218.db2.gz OXOVQEONDRJOFM-GJZGRUSLSA-N 1 2 333.388 0.541 20 30 ECEDLO C#CCNc1nc(NC[C@H]2CCOC2)[nH+]c(NC[C@@H]2CCOC2)n1 ZINC000288609564 437337365 /nfs/dbraw/zinc/33/73/65/437337365.db2.gz WXECRQBDXUEOIZ-BETUJISGSA-N 1 2 332.408 0.814 20 30 ECEDLO C#CCNc1nc(NC[C@H]2CCOC2)nc(NC[C@@H]2CCOC2)[nH+]1 ZINC000288609564 437337370 /nfs/dbraw/zinc/33/73/70/437337370.db2.gz WXECRQBDXUEOIZ-BETUJISGSA-N 1 2 332.408 0.814 20 30 ECEDLO Cn1cc(N2CCC[C@@H](NC(=O)N3CCn4cc[nH+]c4C3)C2=O)cn1 ZINC000329814423 437417122 /nfs/dbraw/zinc/41/71/22/437417122.db2.gz UNEIISFKGCHBQV-CYBMUJFWSA-N 1 2 343.391 0.542 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)c3cc(F)cc(F)c3)C[C@H]21 ZINC000329906513 437429496 /nfs/dbraw/zinc/42/94/96/437429496.db2.gz SFFUPWDIJOFPGY-ZIAGYGMSSA-N 1 2 339.342 0.811 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)c3cc(F)cc(F)c3)C[C@H]21 ZINC000329906513 437429500 /nfs/dbraw/zinc/42/95/00/437429500.db2.gz SFFUPWDIJOFPGY-ZIAGYGMSSA-N 1 2 339.342 0.811 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)c3ccc(F)cc3F)C[C@H]21 ZINC000329909697 437429823 /nfs/dbraw/zinc/42/98/23/437429823.db2.gz VFXUFABZZZVUCV-ZIAGYGMSSA-N 1 2 339.342 0.811 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)c3ccc(F)cc3F)C[C@H]21 ZINC000329909697 437429827 /nfs/dbraw/zinc/42/98/27/437429827.db2.gz VFXUFABZZZVUCV-ZIAGYGMSSA-N 1 2 339.342 0.811 20 30 ECEDLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)[C@H](C)C1 ZINC000337747539 437379207 /nfs/dbraw/zinc/37/92/07/437379207.db2.gz DOERAWRRJJMQSV-CHWSQXEVSA-N 1 2 346.453 0.034 20 30 ECEDLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)[C@H](C)C1 ZINC000337747539 437379212 /nfs/dbraw/zinc/37/92/12/437379212.db2.gz DOERAWRRJJMQSV-CHWSQXEVSA-N 1 2 346.453 0.034 20 30 ECEDLO Cc1nn(C)c(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1C#N ZINC000337941367 437384947 /nfs/dbraw/zinc/38/49/47/437384947.db2.gz FIGLKQJJGGKSAN-UHFFFAOYSA-N 1 2 337.391 0.604 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2nc(Cl)cs2)CC1 ZINC000279214189 437385108 /nfs/dbraw/zinc/38/51/08/437385108.db2.gz LIMHHRJOQSZMPF-UHFFFAOYSA-N 1 2 340.836 0.694 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2nc(Cl)cs2)CC1 ZINC000279214189 437385113 /nfs/dbraw/zinc/38/51/13/437385113.db2.gz LIMHHRJOQSZMPF-UHFFFAOYSA-N 1 2 340.836 0.694 20 30 ECEDLO Cc1nc(N2CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC2)cc[nH+]1 ZINC000183787682 437391119 /nfs/dbraw/zinc/39/11/19/437391119.db2.gz JOAFYIKJXKUAKT-QGZVFWFLSA-N 1 2 330.436 0.962 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCSC[C@H]2CO)CC1 ZINC000329676914 437400710 /nfs/dbraw/zinc/40/07/10/437400710.db2.gz WJVOUNIAJLSXGZ-CABCVRRESA-N 1 2 340.493 0.088 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCSC[C@H]2CO)CC1 ZINC000329676914 437400714 /nfs/dbraw/zinc/40/07/14/437400714.db2.gz WJVOUNIAJLSXGZ-CABCVRRESA-N 1 2 340.493 0.088 20 30 ECEDLO CCn1cc(-c2nn(C)cc2C(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)cn1 ZINC000330233155 437472336 /nfs/dbraw/zinc/47/23/36/437472336.db2.gz RYDZPBMUEFPTFZ-CQSZACIVSA-N 1 2 345.451 0.854 20 30 ECEDLO CCn1cc(-c2nn(C)cc2C(=O)NC[C@@H]2CN(C)CC[N@H+]2C)cn1 ZINC000330233155 437472338 /nfs/dbraw/zinc/47/23/38/437472338.db2.gz RYDZPBMUEFPTFZ-CQSZACIVSA-N 1 2 345.451 0.854 20 30 ECEDLO C[C@@H](NC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000330257199 437475678 /nfs/dbraw/zinc/47/56/78/437475678.db2.gz QNOKGIRXDKLUKX-RYPNDVFKSA-N 1 2 338.452 0.609 20 30 ECEDLO C[C@H](NC(=O)CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)C(=O)N1CCCCC1 ZINC000330305939 437480874 /nfs/dbraw/zinc/48/08/74/437480874.db2.gz RBVVCUMSURAQRO-ZNMIVQPWSA-N 1 2 338.452 0.359 20 30 ECEDLO C[C@H](NC(=O)CN1C[C@@H]2[C@H](C1)OCC[N@H+]2C)C(=O)N1CCCCC1 ZINC000330305939 437480877 /nfs/dbraw/zinc/48/08/77/437480877.db2.gz RBVVCUMSURAQRO-ZNMIVQPWSA-N 1 2 338.452 0.359 20 30 ECEDLO C[C@H](NC(=O)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2C)C(=O)N1CCCCC1 ZINC000330305939 437480880 /nfs/dbraw/zinc/48/08/80/437480880.db2.gz RBVVCUMSURAQRO-ZNMIVQPWSA-N 1 2 338.452 0.359 20 30 ECEDLO C[C@H](NC(=O)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C)C(=O)N1CCCCC1 ZINC000330305939 437480883 /nfs/dbraw/zinc/48/08/83/437480883.db2.gz RBVVCUMSURAQRO-ZNMIVQPWSA-N 1 2 338.452 0.359 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cccnc3N3CCOCC3)C[C@H]21 ZINC000329926029 437432323 /nfs/dbraw/zinc/43/23/23/437432323.db2.gz KHHJVIQQPZKWLD-HUUCEWRRSA-N 1 2 347.419 0.479 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cccnc3N3CCOCC3)C[C@H]21 ZINC000329926029 437432327 /nfs/dbraw/zinc/43/23/27/437432327.db2.gz KHHJVIQQPZKWLD-HUUCEWRRSA-N 1 2 347.419 0.479 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000329933693 437433280 /nfs/dbraw/zinc/43/32/80/437433280.db2.gz QFWGUFSOSZJFJP-PBHICJAKSA-N 1 2 341.452 0.891 20 30 ECEDLO CCO[C@@H]1C[C@](O)(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)C1(C)C ZINC000329942790 437434932 /nfs/dbraw/zinc/43/49/32/437434932.db2.gz 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CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000330485462 437526210 /nfs/dbraw/zinc/52/62/10/437526210.db2.gz BFNFCIYEXCKPDA-SECBINFHSA-N 1 2 325.369 0.783 20 30 ECEDLO CC(C)(C)NC(=O)NC(=O)C[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000330485462 437526214 /nfs/dbraw/zinc/52/62/14/437526214.db2.gz BFNFCIYEXCKPDA-SECBINFHSA-N 1 2 325.369 0.783 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188225146 437538169 /nfs/dbraw/zinc/53/81/69/437538169.db2.gz HCPSDWBEVJNSKA-QGZVFWFLSA-N 1 2 343.427 0.741 20 30 ECEDLO C=C(C)COCCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000354191150 437554693 /nfs/dbraw/zinc/55/46/93/437554693.db2.gz POJHUMYWJFSCIG-UHFFFAOYSA-N 1 2 337.424 0.930 20 30 ECEDLO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000330596153 437561713 /nfs/dbraw/zinc/56/17/13/437561713.db2.gz YBKFJFIHROKOCQ-OLZOCXBDSA-N 1 2 326.441 0.516 20 30 ECEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCCn1cc[nH+]c1 ZINC000360239649 437564084 /nfs/dbraw/zinc/56/40/84/437564084.db2.gz RREZBTLEUWBMND-UHFFFAOYSA-N 1 2 336.359 1.466 20 30 ECEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)C1 ZINC000340150000 437586825 /nfs/dbraw/zinc/58/68/25/437586825.db2.gz GGARUVMWVQCRDQ-HNNXBMFYSA-N 1 2 337.383 0.924 20 30 ECEDLO CC[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2sccc2C#N)CCO1 ZINC000340400795 437640765 /nfs/dbraw/zinc/64/07/65/437640765.db2.gz IHJLNFGGGXDIDC-LBPRGKRZSA-N 1 2 336.417 0.785 20 30 ECEDLO CC[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2sccc2C#N)CCO1 ZINC000340400795 437640772 /nfs/dbraw/zinc/64/07/72/437640772.db2.gz IHJLNFGGGXDIDC-LBPRGKRZSA-N 1 2 336.417 0.785 20 30 ECEDLO C=CCSCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000354787424 437651280 /nfs/dbraw/zinc/65/12/80/437651280.db2.gz CNBGWJZSLIRIJO-CQSZACIVSA-N 1 2 341.477 0.203 20 30 ECEDLO CCN(C)C(=O)[C@H](C)NC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000331024941 437671493 /nfs/dbraw/zinc/67/14/93/437671493.db2.gz TUUOHUILJDXRBX-LSDHHAIUSA-N 1 2 339.484 0.479 20 30 ECEDLO CC(C)OC[C@@H](O)C[N@@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000361935007 437702191 /nfs/dbraw/zinc/70/21/91/437702191.db2.gz ARQSKPMBSQIFEN-KRWDZBQOSA-N 1 2 331.416 0.988 20 30 ECEDLO CC(C)OC[C@@H](O)C[N@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000361935007 437702198 /nfs/dbraw/zinc/70/21/98/437702198.db2.gz ARQSKPMBSQIFEN-KRWDZBQOSA-N 1 2 331.416 0.988 20 30 ECEDLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000331172216 437706955 /nfs/dbraw/zinc/70/69/55/437706955.db2.gz VTGCFYIDXRBBJF-KWQFWETISA-N 1 2 327.303 0.051 20 30 ECEDLO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000331172216 437706960 /nfs/dbraw/zinc/70/69/60/437706960.db2.gz VTGCFYIDXRBBJF-KWQFWETISA-N 1 2 327.303 0.051 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ncncc2Cl)CC1 ZINC000362197205 437722944 /nfs/dbraw/zinc/72/29/44/437722944.db2.gz DVFYWFNVKIZQGX-UHFFFAOYSA-N 1 2 335.795 0.027 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ncncc2Cl)CC1 ZINC000362197205 437722947 /nfs/dbraw/zinc/72/29/47/437722947.db2.gz DVFYWFNVKIZQGX-UHFFFAOYSA-N 1 2 335.795 0.027 20 30 ECEDLO COCC1(C#N)CCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000340764018 437724894 /nfs/dbraw/zinc/72/48/94/437724894.db2.gz BOCBWUAKNUTRNV-UHFFFAOYSA-N 1 2 345.465 0.291 20 30 ECEDLO C[C@H](CCS(C)(=O)=O)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000331274722 437731277 /nfs/dbraw/zinc/73/12/77/437731277.db2.gz IBEXVPLRSKDLGN-OLZOCXBDSA-N 1 2 349.497 0.501 20 30 ECEDLO C[C@H](CCS(C)(=O)=O)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000331274722 437731281 /nfs/dbraw/zinc/73/12/81/437731281.db2.gz IBEXVPLRSKDLGN-OLZOCXBDSA-N 1 2 349.497 0.501 20 30 ECEDLO N#CCNC(=O)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000344110759 437734291 /nfs/dbraw/zinc/73/42/91/437734291.db2.gz GECLVMJHQIZQAA-UHFFFAOYSA-N 1 2 328.288 0.150 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCN(C(=O)OCC(C)C)CC1 ZINC000362411848 437736141 /nfs/dbraw/zinc/73/61/41/437736141.db2.gz CVNQRPNGJHDRMH-UHFFFAOYSA-N 1 2 340.424 0.799 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCN(C(=O)OCC(C)C)CC1 ZINC000362411848 437736145 /nfs/dbraw/zinc/73/61/45/437736145.db2.gz CVNQRPNGJHDRMH-UHFFFAOYSA-N 1 2 340.424 0.799 20 30 ECEDLO CC(C)CNC(=O)NC(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000356080962 437744828 /nfs/dbraw/zinc/74/48/28/437744828.db2.gz IDARUGMTVYNGEH-UHFFFAOYSA-N 1 2 339.440 0.016 20 30 ECEDLO Cc1[nH+]c2ccc(C(=O)NCCNS(=O)(=O)N(C)C)cc2n1C ZINC000331360150 437746503 /nfs/dbraw/zinc/74/65/03/437746503.db2.gz XMASTNZGNZIPDS-UHFFFAOYSA-N 1 2 339.421 0.582 20 30 ECEDLO CC(=O)N1CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)[C@@H](C)C1 ZINC000340871172 437752580 /nfs/dbraw/zinc/75/25/80/437752580.db2.gz MNGKZWFQDRSNOI-RDJZCZTQSA-N 1 2 349.479 0.231 20 30 ECEDLO CC(=O)N1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)[C@@H](C)C1 ZINC000340871172 437752583 /nfs/dbraw/zinc/75/25/83/437752583.db2.gz MNGKZWFQDRSNOI-RDJZCZTQSA-N 1 2 349.479 0.231 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000364645740 437819570 /nfs/dbraw/zinc/81/95/70/437819570.db2.gz LAXVSSIKTOIOEY-UHFFFAOYSA-N 1 2 326.422 0.900 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364645740 437819580 /nfs/dbraw/zinc/81/95/80/437819580.db2.gz LAXVSSIKTOIOEY-UHFFFAOYSA-N 1 2 326.422 0.900 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000370872056 437852116 /nfs/dbraw/zinc/85/21/16/437852116.db2.gz PTFZFGPGWRFTTL-AWEZNQCLSA-N 1 2 335.452 0.163 20 30 ECEDLO CCC[C@@H]1C(=O)NCCN1CC#CC[N@@H+]1CCNC(=O)[C@H]1CCC ZINC000341902991 437922550 /nfs/dbraw/zinc/92/25/50/437922550.db2.gz GLLMVCYLOSBBIJ-HZPDHXFCSA-N 1 2 334.464 0.191 20 30 ECEDLO CCC[C@@H]1C(=O)NCCN1CC#CC[N@H+]1CCNC(=O)[C@H]1CCC ZINC000341902991 437922552 /nfs/dbraw/zinc/92/25/52/437922552.db2.gz GLLMVCYLOSBBIJ-HZPDHXFCSA-N 1 2 334.464 0.191 20 30 ECEDLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NS(=O)(=O)[C@@H](C)C#N ZINC000416397316 437926549 /nfs/dbraw/zinc/92/65/49/437926549.db2.gz IYGVBNJCUDREBF-KBPBESRZSA-N 1 2 337.449 0.424 20 30 ECEDLO CNS(=O)(=O)[C@H]1CCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000365281418 437887303 /nfs/dbraw/zinc/88/73/03/437887303.db2.gz HCRAEBLDNFEKGR-GXTWGEPZSA-N 1 2 330.454 0.054 20 30 ECEDLO CNS(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000365281418 437887309 /nfs/dbraw/zinc/88/73/09/437887309.db2.gz HCRAEBLDNFEKGR-GXTWGEPZSA-N 1 2 330.454 0.054 20 30 ECEDLO C=CCCOCCNC(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000342000262 437937579 /nfs/dbraw/zinc/93/75/79/437937579.db2.gz OVJAGTMRUQHXEL-OAHLLOKOSA-N 1 2 348.447 0.910 20 30 ECEDLO C=CCc1ccc(OCC(=O)N[C@@H]2C[NH2+][C@@H](C(=O)OC)C2)c(OC)c1 ZINC000365758770 437964483 /nfs/dbraw/zinc/96/44/83/437964483.db2.gz PJTJECBJERGNQZ-UONOGXRCSA-N 1 2 348.399 0.822 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCO[C@H](CCC)C2)CC1 ZINC000371669954 437977005 /nfs/dbraw/zinc/97/70/05/437977005.db2.gz ISSNLVWTGIOJOT-DLBZAZTESA-N 1 2 349.475 0.865 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCO[C@H](CCC)C2)CC1 ZINC000371669954 437977012 /nfs/dbraw/zinc/97/70/12/437977012.db2.gz ISSNLVWTGIOJOT-DLBZAZTESA-N 1 2 349.475 0.865 20 30 ECEDLO CNC(=O)N[C@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000342450198 438015548 /nfs/dbraw/zinc/01/55/48/438015548.db2.gz JECSVZUAVBOWLQ-GXTWGEPZSA-N 1 2 341.371 0.193 20 30 ECEDLO CNC(=O)N[C@H]1CC[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000342450198 438015550 /nfs/dbraw/zinc/01/55/50/438015550.db2.gz JECSVZUAVBOWLQ-GXTWGEPZSA-N 1 2 341.371 0.193 20 30 ECEDLO C=C[C@@H](CO)NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000426848622 438072522 /nfs/dbraw/zinc/07/25/22/438072522.db2.gz PSMWBXOEPNUVGK-LBPRGKRZSA-N 1 2 326.418 0.299 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000373936430 438176076 /nfs/dbraw/zinc/17/60/76/438176076.db2.gz HDIRSMZCSRWJQD-UHFFFAOYSA-N 1 2 345.403 0.241 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000373936430 438176082 /nfs/dbraw/zinc/17/60/82/438176082.db2.gz HDIRSMZCSRWJQD-UHFFFAOYSA-N 1 2 345.403 0.241 20 30 ECEDLO CN1C(=O)CC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000349435773 438151384 /nfs/dbraw/zinc/15/13/84/438151384.db2.gz PQOFIYUIUISZNY-MRXNPFEDSA-N 1 2 326.400 0.823 20 30 ECEDLO CN1CCN(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C[C@@H]1C#N ZINC000373489486 438152552 /nfs/dbraw/zinc/15/25/52/438152552.db2.gz LMIQWYBEWWOJDT-AWEZNQCLSA-N 1 2 325.376 0.616 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000374534142 438216834 /nfs/dbraw/zinc/21/68/34/438216834.db2.gz KYQUFJYPHARDKN-IRXDYDNUSA-N 1 2 348.491 0.862 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN([C@H]2CCCCNC2=O)CC1 ZINC000374534142 438216837 /nfs/dbraw/zinc/21/68/37/438216837.db2.gz KYQUFJYPHARDKN-IRXDYDNUSA-N 1 2 348.491 0.862 20 30 ECEDLO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+](C)CC(C)(C)C#N ZINC000433311511 438238485 /nfs/dbraw/zinc/23/84/85/438238485.db2.gz HOAPJWOFAHFCQP-AWEZNQCLSA-N 1 2 330.436 0.995 20 30 ECEDLO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+](C)CC(C)(C)C#N ZINC000433311511 438238489 /nfs/dbraw/zinc/23/84/89/438238489.db2.gz HOAPJWOFAHFCQP-AWEZNQCLSA-N 1 2 330.436 0.995 20 30 ECEDLO C[C@H](C#N)CN(C)C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000350095724 438197836 /nfs/dbraw/zinc/19/78/36/438197836.db2.gz JJYFJVIVGOZZQR-CQSZACIVSA-N 1 2 335.452 0.732 20 30 ECEDLO CNC(=O)C[N@@H+]1CCCN(C(=O)NCCc2cccc(C#N)c2)CC1 ZINC000374276864 438199993 /nfs/dbraw/zinc/19/99/93/438199993.db2.gz GAVLKECQQIQKPE-UHFFFAOYSA-N 1 2 343.431 0.564 20 30 ECEDLO CNC(=O)C[N@H+]1CCCN(C(=O)NCCc2cccc(C#N)c2)CC1 ZINC000374276864 438199995 /nfs/dbraw/zinc/19/99/95/438199995.db2.gz GAVLKECQQIQKPE-UHFFFAOYSA-N 1 2 343.431 0.564 20 30 ECEDLO N#C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@]12c1ccccc1NC2=O ZINC000374367894 438204794 /nfs/dbraw/zinc/20/47/94/438204794.db2.gz SGRASGFBJMQFIU-KZULUSFZSA-N 1 2 338.367 0.481 20 30 ECEDLO N#C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@]12c1ccccc1NC2=O ZINC000374367894 438204798 /nfs/dbraw/zinc/20/47/98/438204798.db2.gz SGRASGFBJMQFIU-KZULUSFZSA-N 1 2 338.367 0.481 20 30 ECEDLO CCc1nc(C[N@H+]2C[C@H]3CN(c4cnc(C#N)cn4)C[C@H]3C2)no1 ZINC000375972633 438268493 /nfs/dbraw/zinc/26/84/93/438268493.db2.gz DNLXVNREJVJCTK-TXEJJXNPSA-N 1 2 325.376 0.862 20 30 ECEDLO CCc1nc(C[N@@H+]2C[C@H]3CN(c4cnc(C#N)cn4)C[C@H]3C2)no1 ZINC000375972633 438268497 /nfs/dbraw/zinc/26/84/97/438268497.db2.gz DNLXVNREJVJCTK-TXEJJXNPSA-N 1 2 325.376 0.862 20 30 ECEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1)C1CC1 ZINC000434716033 438319039 /nfs/dbraw/zinc/31/90/39/438319039.db2.gz CYXMKDYBRGDBSJ-FUHWJXTLSA-N 1 2 348.447 0.146 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2ccc(=O)[nH]n2)CC1 ZINC000369191339 438437175 /nfs/dbraw/zinc/43/71/75/438437175.db2.gz JCDXLQFGYGBGRA-CYBMUJFWSA-N 1 2 332.408 0.312 20 30 ECEDLO Cc1cc[nH+]cc1N1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1 ZINC000407960478 438473883 /nfs/dbraw/zinc/47/38/83/438473883.db2.gz YCVHVLKPAGINKE-CYBMUJFWSA-N 1 2 337.449 0.848 20 30 ECEDLO N#CC1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000359676835 438478299 /nfs/dbraw/zinc/47/82/99/438478299.db2.gz KQYATSHZPVLPRL-AWEZNQCLSA-N 1 2 327.388 0.539 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2nn(C)c(C)c2Cl)CC1 ZINC000421330036 438483787 /nfs/dbraw/zinc/48/37/87/438483787.db2.gz PUAXXTMCMYDILG-UHFFFAOYSA-N 1 2 325.844 0.802 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)C[C@H]1C ZINC000408406921 438569353 /nfs/dbraw/zinc/56/93/53/438569353.db2.gz VRRIICANDKTBGF-GHMZBOCLSA-N 1 2 329.447 0.695 20 30 ECEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)C[C@H]1C ZINC000408406921 438569357 /nfs/dbraw/zinc/56/93/57/438569357.db2.gz VRRIICANDKTBGF-GHMZBOCLSA-N 1 2 329.447 0.695 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)cc1O ZINC000442644338 438615011 /nfs/dbraw/zinc/61/50/11/438615011.db2.gz DXUWIBGAIGTCDC-INIZCTEOSA-N 1 2 345.399 0.827 20 30 ECEDLO N#Cc1ccc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1O ZINC000442664011 438616442 /nfs/dbraw/zinc/61/64/42/438616442.db2.gz YIWPYBDFJFJVJV-UHFFFAOYSA-N 1 2 341.371 1.045 20 30 ECEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)Cn2cnc(C#N)n2)C1 ZINC000442817290 438626607 /nfs/dbraw/zinc/62/66/07/438626607.db2.gz GIRKHLIHBVYARA-INIZCTEOSA-N 1 2 348.407 0.072 20 30 ECEDLO C=CCCCN(C)C(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000410689912 438628357 /nfs/dbraw/zinc/62/83/57/438628357.db2.gz RBYHPDJAHKFVIA-UHFFFAOYSA-N 1 2 325.453 0.980 20 30 ECEDLO C=CCCCN(C)C(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000410689912 438628361 /nfs/dbraw/zinc/62/83/61/438628361.db2.gz RBYHPDJAHKFVIA-UHFFFAOYSA-N 1 2 325.453 0.980 20 30 ECEDLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000452107863 438640274 /nfs/dbraw/zinc/64/02/74/438640274.db2.gz UHXMFKLJYOLJEV-NSHDSACASA-N 1 2 343.836 0.899 20 30 ECEDLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000452107863 438640277 /nfs/dbraw/zinc/64/02/77/438640277.db2.gz UHXMFKLJYOLJEV-NSHDSACASA-N 1 2 343.836 0.899 20 30 ECEDLO C=CC[C@@H](C)NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000446778888 438671079 /nfs/dbraw/zinc/67/10/79/438671079.db2.gz YXQQTTVWWGSBGN-CYBMUJFWSA-N 1 2 335.408 0.235 20 30 ECEDLO C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)C[C@H](Cc2ccccc2)C1=O ZINC000414128804 438699404 /nfs/dbraw/zinc/69/94/04/438699404.db2.gz SYBAQDQQBVEDCT-JKSUJKDBSA-N 1 2 329.400 0.811 20 30 ECEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)C[C@H](Cc2ccccc2)C1=O ZINC000414128804 438699407 /nfs/dbraw/zinc/69/94/07/438699407.db2.gz SYBAQDQQBVEDCT-JKSUJKDBSA-N 1 2 329.400 0.811 20 30 ECEDLO C[N@H+](CCC#N)C[C@H](O)CN1C(=O)C[C@@]2(CCc3ccccc32)C1=O ZINC000414154833 438699785 /nfs/dbraw/zinc/69/97/85/438699785.db2.gz UKZACYHAUHQCDV-HNAYVOBHSA-N 1 2 341.411 0.836 20 30 ECEDLO C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)C[C@@]2(CCc3ccccc32)C1=O ZINC000414154833 438699787 /nfs/dbraw/zinc/69/97/87/438699787.db2.gz UKZACYHAUHQCDV-HNAYVOBHSA-N 1 2 341.411 0.836 20 30 ECEDLO CNC(=O)CCOC1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000494922778 438714205 /nfs/dbraw/zinc/71/42/05/438714205.db2.gz MBZBRYWMQIMHDQ-KRWDZBQOSA-N 1 2 344.415 0.702 20 30 ECEDLO CC(C)(C)OC(=O)N1CC[NH+](CCn2c(N)nc(C#N)c2C#N)CC1 ZINC000496060435 438738132 /nfs/dbraw/zinc/73/81/32/438738132.db2.gz ITPWSSVQNWOVEW-UHFFFAOYSA-N 1 2 345.407 0.761 20 30 ECEDLO N#CCc1ccc(CNS(=O)(=O)CCC[NH+]2CCOCC2)cc1 ZINC000576033997 438765549 /nfs/dbraw/zinc/76/55/49/438765549.db2.gz ICASZBTZTQHYHT-UHFFFAOYSA-N 1 2 337.445 0.894 20 30 ECEDLO COc1ccc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)nn1 ZINC000577191909 438821353 /nfs/dbraw/zinc/82/13/53/438821353.db2.gz AIIJZQQKZUVVKR-UHFFFAOYSA-N 1 2 341.371 0.399 20 30 ECEDLO CCS(=O)(=O)NCC[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595633046 438836537 /nfs/dbraw/zinc/83/65/37/438836537.db2.gz UYCKKQFENSOROT-UHFFFAOYSA-N 1 2 328.463 0.681 20 30 ECEDLO COC(=O)[C@](C)(O)C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000588962306 438851010 /nfs/dbraw/zinc/85/10/10/438851010.db2.gz QDJIHVRTIXMGQJ-MRXNPFEDSA-N 1 2 334.376 0.470 20 30 ECEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@@H](C#N)C1 ZINC000578287062 438909420 /nfs/dbraw/zinc/90/94/20/438909420.db2.gz UOJIWBSBOTZRHW-KBPBESRZSA-N 1 2 333.392 0.234 20 30 ECEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@@H](C#N)C1 ZINC000578287062 438909422 /nfs/dbraw/zinc/90/94/22/438909422.db2.gz UOJIWBSBOTZRHW-KBPBESRZSA-N 1 2 333.392 0.234 20 30 ECEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CCO[C@@H]2CC2(F)F)c1=O ZINC000596284980 438951948 /nfs/dbraw/zinc/95/19/48/438951948.db2.gz IGVIDBPWJDEOBI-CQSZACIVSA-N 1 2 339.342 0.976 20 30 ECEDLO C=C[C@H](C(=O)OC)[N@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000590749092 438952909 /nfs/dbraw/zinc/95/29/09/438952909.db2.gz LFRPDJSBDGRYPX-CQSZACIVSA-N 1 2 341.433 0.430 20 30 ECEDLO C=C[C@H](C(=O)OC)[N@@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000590749092 438952915 /nfs/dbraw/zinc/95/29/15/438952915.db2.gz LFRPDJSBDGRYPX-CQSZACIVSA-N 1 2 341.433 0.430 20 30 ECEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1cncc(C#N)c1)C(C)(C)CO ZINC000517175175 438954683 /nfs/dbraw/zinc/95/46/83/438954683.db2.gz CHPTUKQKXSIANV-CYBMUJFWSA-N 1 2 349.416 0.725 20 30 ECEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1cccnc1C#N)C(C)(C)CO ZINC000517959818 438984293 /nfs/dbraw/zinc/98/42/93/438984293.db2.gz AQYXHDOVBCBGCX-CYBMUJFWSA-N 1 2 349.416 0.725 20 30 ECEDLO CC(C)(CNC(=O)C(=O)Nc1cc(F)cc(C#N)c1)[NH+]1CCOCC1 ZINC000602020406 438997750 /nfs/dbraw/zinc/99/77/50/438997750.db2.gz RSCKCGWOQKRXLI-UHFFFAOYSA-N 1 2 348.378 0.863 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000602024799 439000025 /nfs/dbraw/zinc/00/00/25/439000025.db2.gz WMWMCAJMKXJAJR-LLVKDONJSA-N 1 2 334.351 0.473 20 30 ECEDLO N#CC1(CNC(=O)N(CCO)CC[NH+]2CCOCC2)CCCCC1 ZINC000596869507 439009403 /nfs/dbraw/zinc/00/94/03/439009403.db2.gz RLPMEPSXAIRHRG-UHFFFAOYSA-N 1 2 338.452 0.797 20 30 ECEDLO C=CCn1cc(CNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)nn1 ZINC000578863184 438960420 /nfs/dbraw/zinc/96/04/20/438960420.db2.gz HUPCXSJYYNKOPM-UHFFFAOYSA-N 1 2 330.396 0.215 20 30 ECEDLO CN1C[C@H]([N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)CCC1=O ZINC000580446725 439090469 /nfs/dbraw/zinc/09/04/69/439090469.db2.gz UULBAEOFMWHQOA-CYBMUJFWSA-N 1 2 336.417 0.280 20 30 ECEDLO CN1C[C@H]([N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)CCC1=O ZINC000580446725 439090475 /nfs/dbraw/zinc/09/04/75/439090475.db2.gz UULBAEOFMWHQOA-CYBMUJFWSA-N 1 2 336.417 0.280 20 30 ECEDLO CCOC(=O)C1(CC(=O)N[C@](C)(C#N)C[NH+](C)C)CCOCC1 ZINC000602335027 439066647 /nfs/dbraw/zinc/06/66/47/439066647.db2.gz SYOCCGZAQWRPNR-OAHLLOKOSA-N 1 2 325.409 0.696 20 30 ECEDLO C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149130 439166799 /nfs/dbraw/zinc/16/67/99/439166799.db2.gz JFAMVBDCLTZKAH-CXAGYDPISA-N 1 2 330.388 0.751 20 30 ECEDLO C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149130 439166802 /nfs/dbraw/zinc/16/68/02/439166802.db2.gz JFAMVBDCLTZKAH-CXAGYDPISA-N 1 2 330.388 0.751 20 30 ECEDLO C=CCn1cc(CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)nn1 ZINC000567734060 439172148 /nfs/dbraw/zinc/17/21/48/439172148.db2.gz JLDNFBLVRHXNSX-UKRRQHHQSA-N 1 2 334.424 0.469 20 30 ECEDLO N#CCCN(CCC#N)C(=O)CN1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000522010335 439139493 /nfs/dbraw/zinc/13/94/93/439139493.db2.gz AEOJQZPSVAUQAE-MRXNPFEDSA-N 1 2 333.436 0.439 20 30 ECEDLO N#C[C@@H](CCc1ccccc1)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000597618893 439140236 /nfs/dbraw/zinc/14/02/36/439140236.db2.gz WLWNYZKWVURGJL-SJORKVTESA-N 1 2 331.416 0.568 20 30 ECEDLO C[C@H]1C[NH+](CC(=O)NC(=O)NCc2ccccc2)C[C@H](C)N1CC#N ZINC000602858452 439144353 /nfs/dbraw/zinc/14/43/53/439144353.db2.gz AZXJNNHVSPPXQM-GJZGRUSLSA-N 1 2 343.431 0.931 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(Cc2ccncc2C#N)CC1 ZINC000592066605 439144483 /nfs/dbraw/zinc/14/44/83/439144483.db2.gz AGMHIDKJJPDASN-OAHLLOKOSA-N 1 2 345.447 0.612 20 30 ECEDLO C[C@H]1C[NH+](CC(=O)NC(=O)NCc2cccs2)C[C@H](C)N1CC#N ZINC000602858737 439146599 /nfs/dbraw/zinc/14/65/99/439146599.db2.gz UTDZRNXAFZTHMT-STQMWFEESA-N 1 2 349.460 0.992 20 30 ECEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)C1 ZINC000602858484 439147869 /nfs/dbraw/zinc/14/78/69/439147869.db2.gz BKWXQEGYKQBBIR-OFQRWUPVSA-N 1 2 335.452 0.032 20 30 ECEDLO N#CC1(NC(=O)C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)CCC1 ZINC000567590590 439153591 /nfs/dbraw/zinc/15/35/91/439153591.db2.gz QWQPCWTZJDLQHK-UHFFFAOYSA-N 1 2 340.449 0.049 20 30 ECEDLO N#CC1(NC(=O)C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)CCC1 ZINC000567590590 439153599 /nfs/dbraw/zinc/15/35/99/439153599.db2.gz QWQPCWTZJDLQHK-UHFFFAOYSA-N 1 2 340.449 0.049 20 30 ECEDLO N#Cc1ccccc1OCc1cn(C[C@H](O)C[NH+]2CCOCC2)nn1 ZINC000603258635 439219660 /nfs/dbraw/zinc/21/96/60/439219660.db2.gz NKKDLKFDVOPSNV-MRXNPFEDSA-N 1 2 343.387 0.422 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000592197050 439176689 /nfs/dbraw/zinc/17/66/89/439176689.db2.gz LMECKVYGDAHYJD-ZIAGYGMSSA-N 1 2 342.355 0.964 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000592197050 439176693 /nfs/dbraw/zinc/17/66/93/439176693.db2.gz LMECKVYGDAHYJD-ZIAGYGMSSA-N 1 2 342.355 0.964 20 30 ECEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000567895781 439194185 /nfs/dbraw/zinc/19/41/85/439194185.db2.gz XRBDUDQDOXIDMH-AWEZNQCLSA-N 1 2 348.432 0.505 20 30 ECEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000567895781 439194186 /nfs/dbraw/zinc/19/41/86/439194186.db2.gz XRBDUDQDOXIDMH-AWEZNQCLSA-N 1 2 348.432 0.505 20 30 ECEDLO COCCOCC[NH+]1CCN(C(=O)Nc2ccnc(C#N)c2)CC1 ZINC000603130815 439195852 /nfs/dbraw/zinc/19/58/52/439195852.db2.gz XFYFUEFNVMYNJB-UHFFFAOYSA-N 1 2 333.392 0.766 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)n1cc(CC[NH+]2CCOCC2)nn1 ZINC000603173878 439201154 /nfs/dbraw/zinc/20/11/54/439201154.db2.gz DDHKKUCUFIYTDE-RHSMWYFYSA-N 1 2 348.451 0.768 20 30 ECEDLO N#CCCn1ccc(NC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)n1 ZINC000525231818 439202996 /nfs/dbraw/zinc/20/29/96/439202996.db2.gz AOFBJDWUQIMVSR-UHFFFAOYSA-N 1 2 328.380 0.870 20 30 ECEDLO CN(Cc1[nH]cc[nH+]1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000581459136 439212946 /nfs/dbraw/zinc/21/29/46/439212946.db2.gz DJXIXXYPUDCSBG-UHFFFAOYSA-N 1 2 333.373 0.218 20 30 ECEDLO N#Cc1ccncc1N1CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000582294417 439314998 /nfs/dbraw/zinc/31/49/98/439314998.db2.gz PYBDSSWPLAWHNZ-UHFFFAOYSA-N 1 2 344.419 0.117 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2cccc(-n3ccnn3)c2)CC1 ZINC000490950695 439318029 /nfs/dbraw/zinc/31/80/29/439318029.db2.gz RNUJUTUOGIOLGM-UHFFFAOYSA-N 1 2 325.372 0.424 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN[C@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000490951389 439318337 /nfs/dbraw/zinc/31/83/37/439318337.db2.gz XOKZZVXATWXBQH-CYBMUJFWSA-N 1 2 333.436 0.795 20 30 ECEDLO CCOC(=O)NCCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000490960439 439318686 /nfs/dbraw/zinc/31/86/86/439318686.db2.gz VJOOASDSLLKPPX-UHFFFAOYSA-N 1 2 326.397 0.197 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](F)c2ccccc2)CC1 ZINC000490984877 439320168 /nfs/dbraw/zinc/32/01/68/439320168.db2.gz IYXUKLMRUQTCDH-KRWDZBQOSA-N 1 2 331.391 0.981 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](F)c2ccccc2)CC1 ZINC000490984877 439320171 /nfs/dbraw/zinc/32/01/71/439320171.db2.gz IYXUKLMRUQTCDH-KRWDZBQOSA-N 1 2 331.391 0.981 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)c2ncccc2F)CC1 ZINC000491040626 439325633 /nfs/dbraw/zinc/32/56/33/439325633.db2.gz VXCMSJYDXMKTAZ-CQSZACIVSA-N 1 2 346.406 0.608 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)c2ncccc2F)CC1 ZINC000491040626 439325638 /nfs/dbraw/zinc/32/56/38/439325638.db2.gz VXCMSJYDXMKTAZ-CQSZACIVSA-N 1 2 346.406 0.608 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnc3ccccn23)CC1 ZINC000491127976 439337707 /nfs/dbraw/zinc/33/77/07/439337707.db2.gz YOWREKYBFUJUCA-UHFFFAOYSA-N 1 2 339.399 0.232 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnc3ccccn23)CC1 ZINC000491127976 439337709 /nfs/dbraw/zinc/33/77/09/439337709.db2.gz YOWREKYBFUJUCA-UHFFFAOYSA-N 1 2 339.399 0.232 20 30 ECEDLO C#CCN(CC#C)C(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000490721028 439291115 /nfs/dbraw/zinc/29/11/15/439291115.db2.gz VIKVHALMSRDNMZ-UHFFFAOYSA-N 1 2 340.383 0.260 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(O[C@H](C)C(N)=O)cc2)CC1 ZINC000490800577 439300758 /nfs/dbraw/zinc/30/07/58/439300758.db2.gz VCNASKFSBMUXQB-CQSZACIVSA-N 1 2 345.399 0.095 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2nnc(-c3ccccc3)o2)CC1 ZINC000490913170 439309003 /nfs/dbraw/zinc/30/90/03/439309003.db2.gz BSZMHHHLKULTNN-UHFFFAOYSA-N 1 2 326.356 0.893 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000490914326 439309234 /nfs/dbraw/zinc/30/92/34/439309234.db2.gz HJYGXTDYVKCJGD-GJZGRUSLSA-N 1 2 335.448 0.474 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000490914326 439309238 /nfs/dbraw/zinc/30/92/38/439309238.db2.gz HJYGXTDYVKCJGD-GJZGRUSLSA-N 1 2 335.448 0.474 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc3c2OCC[C@@H]3O)CC1 ZINC000491265940 439358958 /nfs/dbraw/zinc/35/89/58/439358958.db2.gz NGGQGPIJSVFPGO-INIZCTEOSA-N 1 2 329.400 0.692 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc3ccn(C)c(=O)c3c2)CC1 ZINC000491167212 439341418 /nfs/dbraw/zinc/34/14/18/439341418.db2.gz WXUZFIFXVJJDLX-UHFFFAOYSA-N 1 2 338.411 0.728 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](Cc2cc(C(=O)OC)c(C)o2)CC1 ZINC000491166265 439342561 /nfs/dbraw/zinc/34/25/61/439342561.db2.gz QJEAZRVEJVMPKG-UHFFFAOYSA-N 1 2 333.388 0.242 20 30 ECEDLO CC(C)(C#N)c1ccc(S(=O)(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000593525947 439394353 /nfs/dbraw/zinc/39/43/53/439394353.db2.gz PBUXHFFWHAUJSK-UHFFFAOYSA-N 1 2 337.445 0.786 20 30 ECEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC ZINC000491664803 439422229 /nfs/dbraw/zinc/42/22/29/439422229.db2.gz RBPXMUZYYUOVQZ-SNVBAGLBSA-N 1 2 325.390 0.235 20 30 ECEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC ZINC000491664803 439422235 /nfs/dbraw/zinc/42/22/35/439422235.db2.gz RBPXMUZYYUOVQZ-SNVBAGLBSA-N 1 2 325.390 0.235 20 30 ECEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000491782823 439449012 /nfs/dbraw/zinc/44/90/12/439449012.db2.gz OERVBIYWEXDSPM-VIFPVBQESA-N 1 2 329.809 0.879 20 30 ECEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000491782823 439449019 /nfs/dbraw/zinc/44/90/19/439449019.db2.gz OERVBIYWEXDSPM-VIFPVBQESA-N 1 2 329.809 0.879 20 30 ECEDLO N#Cc1ccc(CNC(=O)CN2CC[NH+](Cc3cn[nH]c3)CC2)cc1 ZINC000599440523 439468310 /nfs/dbraw/zinc/46/83/10/439468310.db2.gz MQJWHRCKTNSNCM-UHFFFAOYSA-N 1 2 338.415 0.715 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[NH+]2CCN(Cc3cn[nH]c3)CC2)cc1 ZINC000599440523 439468314 /nfs/dbraw/zinc/46/83/14/439468314.db2.gz MQJWHRCKTNSNCM-UHFFFAOYSA-N 1 2 338.415 0.715 20 30 ECEDLO COC(=O)c1ccc(C[N@H+](C)CC(=O)N(CCC#N)CCC#N)nc1 ZINC000599443077 439469394 /nfs/dbraw/zinc/46/93/94/439469394.db2.gz IJWSBQLOEDQPLQ-UHFFFAOYSA-N 1 2 343.387 0.956 20 30 ECEDLO COC(=O)c1ccc(C[N@@H+](C)CC(=O)N(CCC#N)CCC#N)nc1 ZINC000599443077 439469398 /nfs/dbraw/zinc/46/93/98/439469398.db2.gz IJWSBQLOEDQPLQ-UHFFFAOYSA-N 1 2 343.387 0.956 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)OC)cn1 ZINC000599443986 439471526 /nfs/dbraw/zinc/47/15/26/439471526.db2.gz OIXWNMDMKFODCW-LLVKDONJSA-N 1 2 334.376 0.700 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C(=O)OC)cn1 ZINC000599443986 439471530 /nfs/dbraw/zinc/47/15/30/439471530.db2.gz OIXWNMDMKFODCW-LLVKDONJSA-N 1 2 334.376 0.700 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000599500311 439492802 /nfs/dbraw/zinc/49/28/02/439492802.db2.gz RZIMDQWJVNQOJY-CYBMUJFWSA-N 1 2 330.454 0.119 20 30 ECEDLO Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)ncc1C#N ZINC000594287506 439536367 /nfs/dbraw/zinc/53/63/67/439536367.db2.gz FJNXXEBJCNVCME-STQMWFEESA-N 1 2 345.403 0.426 20 30 ECEDLO C=CCNc1ncc(C(=O)N=c2[nH][nH]c(CCC[NH2+]C)c2C#N)s1 ZINC000536305777 439539028 /nfs/dbraw/zinc/53/90/28/439539028.db2.gz WJOGENPLHWMPPX-UHFFFAOYSA-N 1 2 345.432 0.584 20 30 ECEDLO CCN(C(=O)C[NH+]1CCC(CC#N)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000542880189 439560114 /nfs/dbraw/zinc/56/01/14/439560114.db2.gz ZFUOWLJMBNLPQG-CQSZACIVSA-N 1 2 327.450 0.648 20 30 ECEDLO C[C@@H](C#N)CNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000543615604 439562178 /nfs/dbraw/zinc/56/21/78/439562178.db2.gz HARCGXKBRBZFNN-LBPRGKRZSA-N 1 2 330.392 0.750 20 30 ECEDLO C[C@@H](CNC(=O)C(=O)NCC(C)(C)CC#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594621625 439583769 /nfs/dbraw/zinc/58/37/69/439583769.db2.gz MIQGEBQBLVRQBK-MELADBBJSA-N 1 2 338.452 0.656 20 30 ECEDLO C[C@@H](CNC(=O)C(=O)NCC(C)(C)CC#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594621625 439583773 /nfs/dbraw/zinc/58/37/73/439583773.db2.gz MIQGEBQBLVRQBK-MELADBBJSA-N 1 2 338.452 0.656 20 30 ECEDLO Cc1nn(C)c(N2CCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)c1C#N ZINC000492890323 439586228 /nfs/dbraw/zinc/58/62/28/439586228.db2.gz BJYSYKLEXOAMFS-ARJAWSKDSA-N 1 2 325.376 0.685 20 30 ECEDLO COCCOCC[NH+]1CCN(C(=O)Cc2ccc(C#N)nc2)CC1 ZINC000600082605 439611277 /nfs/dbraw/zinc/61/12/77/439611277.db2.gz PGQIHNASOFTBBD-UHFFFAOYSA-N 1 2 332.404 0.303 20 30 ECEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](O)C[C@H](O)C2)c1C ZINC000610604102 439628953 /nfs/dbraw/zinc/62/89/53/439628953.db2.gz AIFOIXJBLXTNCE-IYBDPMFKSA-N 1 2 331.416 0.978 20 30 ECEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](O)C[C@H](O)C2)c1C ZINC000610604102 439628957 /nfs/dbraw/zinc/62/89/57/439628957.db2.gz AIFOIXJBLXTNCE-IYBDPMFKSA-N 1 2 331.416 0.978 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000573111727 439629169 /nfs/dbraw/zinc/62/91/69/439629169.db2.gz ZSYXPZNQTPROQU-CVEARBPZSA-N 1 2 345.447 0.696 20 30 ECEDLO N#Cc1ccc(N2CCC[C@H]2C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000610665662 439636684 /nfs/dbraw/zinc/63/66/84/439636684.db2.gz ZQXFWNBVTFEQLT-KRWDZBQOSA-N 1 2 328.416 0.664 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2sccc2C#N)[C@@H](C)CO1 ZINC000595126605 439658042 /nfs/dbraw/zinc/65/80/42/439658042.db2.gz QQZMVGXTERWYQO-WDEREUQCSA-N 1 2 336.417 0.784 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2sccc2C#N)[C@@H](C)CO1 ZINC000595126605 439658046 /nfs/dbraw/zinc/65/80/46/439658046.db2.gz QQZMVGXTERWYQO-WDEREUQCSA-N 1 2 336.417 0.784 20 30 ECEDLO C[C@]1(C#N)CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000595156621 439663633 /nfs/dbraw/zinc/66/36/33/439663633.db2.gz NZQLELKOXWEJCL-WMLDXEAASA-N 1 2 334.420 0.072 20 30 ECEDLO CN(Cc1[nH+]ccn1C)C(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586864036 439664909 /nfs/dbraw/zinc/66/49/09/439664909.db2.gz IGTYFKIRKZIGSB-UHFFFAOYSA-N 1 2 329.335 0.706 20 30 ECEDLO C=CCCSCCNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595203911 439673109 /nfs/dbraw/zinc/67/31/09/439673109.db2.gz GWMKEGCEZXKGDJ-AWEZNQCLSA-N 1 2 341.477 0.345 20 30 ECEDLO N#Cc1cccnc1N1CC[NH+](CC[C@H]2CCS(=O)(=O)C2)CC1 ZINC000611169789 439676033 /nfs/dbraw/zinc/67/60/33/439676033.db2.gz CFYFSLUJHIYNMR-AWEZNQCLSA-N 1 2 334.445 0.900 20 30 ECEDLO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCN(CCC#N)CC1 ZINC000611174965 439678441 /nfs/dbraw/zinc/67/84/41/439678441.db2.gz QCBJJOITVBKWNV-CYBMUJFWSA-N 1 2 329.404 0.644 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000613751964 439763213 /nfs/dbraw/zinc/76/32/13/439763213.db2.gz SQYGTQBXNYVUCO-HZPDHXFCSA-N 1 2 345.447 0.980 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000613751964 439763214 /nfs/dbraw/zinc/76/32/14/439763214.db2.gz SQYGTQBXNYVUCO-HZPDHXFCSA-N 1 2 345.447 0.980 20 30 ECEDLO Cc1nn(C)c(N2CC[NH+](CCN3C[C@@H](C)O[C@H](C)C3)CC2)c1C#N ZINC000595459391 439729026 /nfs/dbraw/zinc/72/90/26/439729026.db2.gz ZEWVHPUQVUDMFZ-HUUCEWRRSA-N 1 2 346.479 0.831 20 30 ECEDLO CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000615776570 439806197 /nfs/dbraw/zinc/80/61/97/439806197.db2.gz GXFONSNQGXFIBC-LLVKDONJSA-N 1 2 327.392 0.714 20 30 ECEDLO C=C(C)CN(CC)C(=O)C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000652388245 439832286 /nfs/dbraw/zinc/83/22/86/439832286.db2.gz CVERQUAJZVVALL-UHFFFAOYSA-N 1 2 341.452 0.218 20 30 ECEDLO C=CCCn1cc(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)nn1 ZINC000653761408 440238051 /nfs/dbraw/zinc/23/80/51/440238051.db2.gz ZHOAQHRQWDSJRJ-UHFFFAOYSA-N 1 2 339.465 0.854 20 30 ECEDLO C=CC[N@@H+](Cc1ccc(S(N)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000637961594 440378805 /nfs/dbraw/zinc/37/88/05/440378805.db2.gz AGQGJDICHTZTET-ZDUSSCGKSA-N 1 2 344.458 0.509 20 30 ECEDLO C=CC[N@H+](Cc1ccc(S(N)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000637961594 440378811 /nfs/dbraw/zinc/37/88/11/440378811.db2.gz AGQGJDICHTZTET-ZDUSSCGKSA-N 1 2 344.458 0.509 20 30 ECEDLO C=C[C@](C)(CCOC)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000628575477 440506030 /nfs/dbraw/zinc/50/60/30/440506030.db2.gz JZOSTKPMUUTCPJ-SJLPKXTDSA-N 1 2 340.464 0.947 20 30 ECEDLO C=C[C@](C)(CCOC)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000628575477 440506037 /nfs/dbraw/zinc/50/60/37/440506037.db2.gz JZOSTKPMUUTCPJ-SJLPKXTDSA-N 1 2 340.464 0.947 20 30 ECEDLO CC#CC[C@H](CO)NC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000645155995 440756075 /nfs/dbraw/zinc/75/60/75/440756075.db2.gz FWZBPHMCEAXHCM-GDBMZVCRSA-N 1 2 346.431 0.880 20 30 ECEDLO C=CCCn1cc(CNC2CC[NH+](CC(=O)NCCC)CC2)nn1 ZINC000657309390 440999340 /nfs/dbraw/zinc/99/93/40/440999340.db2.gz MEOFXGPLMVZVIW-UHFFFAOYSA-N 1 2 334.468 0.934 20 30 ECEDLO C=CCCn1cc(C[NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)nn1 ZINC000657377516 441001384 /nfs/dbraw/zinc/00/13/84/441001384.db2.gz PBGDCAQEPUXGES-AWEZNQCLSA-N 1 2 329.408 0.873 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)nn1 ZINC000641001832 441043762 /nfs/dbraw/zinc/04/37/62/441043762.db2.gz NEBUGEOEPREHNH-HOTGVXAUSA-N 1 2 331.420 0.561 20 30 ECEDLO COc1cc(CN2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)ccc1C#N ZINC000348978445 321295285 /nfs/dbraw/zinc/29/52/85/321295285.db2.gz BKXIMJUKFTUTNL-ZDUSSCGKSA-N 1 2 325.328 0.953 20 30 ECEDLO COc1cc(CN2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)ccc1C#N ZINC000348978445 321295287 /nfs/dbraw/zinc/29/52/87/321295287.db2.gz BKXIMJUKFTUTNL-ZDUSSCGKSA-N 1 2 325.328 0.953 20 30 ECEDLO Cc1cc(C#N)cc(NC(=O)C(=O)NCC[N@@H+]2CCO[C@H](C)C2)c1 ZINC000564291554 322368050 /nfs/dbraw/zinc/36/80/50/322368050.db2.gz YJCIDRRVHVTKBN-CYBMUJFWSA-N 1 2 330.388 0.642 20 30 ECEDLO Cc1cc(C#N)cc(NC(=O)C(=O)NCC[N@H+]2CCO[C@H](C)C2)c1 ZINC000564291554 322368053 /nfs/dbraw/zinc/36/80/53/322368053.db2.gz YJCIDRRVHVTKBN-CYBMUJFWSA-N 1 2 330.388 0.642 20 30 ECEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ncncc2C#N)CC1 ZINC000573958283 322770785 /nfs/dbraw/zinc/77/07/85/322770785.db2.gz APPLNRCMQJINLK-CYBMUJFWSA-N 1 2 328.420 0.918 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001078027635 782169265 /nfs/dbraw/zinc/16/92/65/782169265.db2.gz AHPJPDSLWHGAFT-IOKDEZFASA-N 1 2 335.791 0.621 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001078027635 782169271 /nfs/dbraw/zinc/16/92/71/782169271.db2.gz AHPJPDSLWHGAFT-IOKDEZFASA-N 1 2 335.791 0.621 20 30 ECEDLO Cc1cccc2c(=O)n(CC(=O)NC[C@H]3C[N@H+](C)CCO3)cnc12 ZINC000328664621 546002928 /nfs/dbraw/zinc/00/29/28/546002928.db2.gz BWHQQWQWAUCELY-ZDUSSCGKSA-N 1 2 330.388 0.992 20 30 ECEDLO Cc1cccc2c(=O)n(CC(=O)NC[C@H]3C[N@@H+](C)CCO3)cnc12 ZINC000328664621 546002930 /nfs/dbraw/zinc/00/29/30/546002930.db2.gz BWHQQWQWAUCELY-ZDUSSCGKSA-N 1 2 330.388 0.992 20 30 ECEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2nc3c(cnn3C)c(=O)[nH]2)CC1 ZINC000328944073 546009826 /nfs/dbraw/zinc/00/98/26/546009826.db2.gz JCKOJPSJAAOCOW-SNVBAGLBSA-N 1 2 345.407 0.698 20 30 ECEDLO CC(C)C[NH+]1CCN(C(=O)NC[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000329716554 546031542 /nfs/dbraw/zinc/03/15/42/546031542.db2.gz WPBJBTZXBCQIAL-CQSZACIVSA-N 1 2 331.482 0.999 20 30 ECEDLO Cc1cc(N2CC[C@H](NC(=O)N3CCn4cc[nH+]c4C3)C2=O)n(C)n1 ZINC000329796953 546034220 /nfs/dbraw/zinc/03/42/20/546034220.db2.gz FFJXICSPTZJUQL-LBPRGKRZSA-N 1 2 343.391 0.460 20 30 ECEDLO NC(=O)[C@@H]1CC[C@H](CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)O1 ZINC000329973519 546037210 /nfs/dbraw/zinc/03/72/10/546037210.db2.gz YRWFDSWWQSRRKJ-UPJWGTAASA-N 1 2 326.397 0.390 20 30 ECEDLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000330235766 546041432 /nfs/dbraw/zinc/04/14/32/546041432.db2.gz HBJDTNRXPXONJC-LLVKDONJSA-N 1 2 329.426 0.580 20 30 ECEDLO Cc1n[nH]c(C)c1NC(=O)C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000330235766 546041437 /nfs/dbraw/zinc/04/14/37/546041437.db2.gz HBJDTNRXPXONJC-LLVKDONJSA-N 1 2 329.426 0.580 20 30 ECEDLO N#C[C@H]1CCC[C@H]1NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000332908256 546054044 /nfs/dbraw/zinc/05/40/44/546054044.db2.gz UZZNCGCEOBKVSW-ZIAGYGMSSA-N 1 2 332.408 1.029 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CC)CC1 ZINC000338603657 546070364 /nfs/dbraw/zinc/07/03/64/546070364.db2.gz WTIMXACYRGRTKH-CQSZACIVSA-N 1 2 348.451 0.226 20 30 ECEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000438450563 546227195 /nfs/dbraw/zinc/22/71/95/546227195.db2.gz FTTWSKUJVOIJTL-HZPDHXFCSA-N 1 2 341.452 0.304 20 30 ECEDLO N#CCc1cccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000619495692 546334744 /nfs/dbraw/zinc/33/47/44/546334744.db2.gz PPLFAYPDPPLYEY-IRXDYDNUSA-N 1 2 349.456 0.972 20 30 ECEDLO N#CCc1cccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000619495691 546334937 /nfs/dbraw/zinc/33/49/37/546334937.db2.gz PPLFAYPDPPLYEY-IAGOWNOFSA-N 1 2 349.456 0.972 20 30 ECEDLO C=CCOC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)C(=O)OC ZINC000619544378 546340270 /nfs/dbraw/zinc/34/02/70/546340270.db2.gz YARZQXPYWURSOA-HOTGVXAUSA-N 1 2 347.415 0.906 20 30 ECEDLO C=CCOC[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)C(=O)OC ZINC000619544378 546340273 /nfs/dbraw/zinc/34/02/73/546340273.db2.gz YARZQXPYWURSOA-HOTGVXAUSA-N 1 2 347.415 0.906 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1=O ZINC000619620019 546349700 /nfs/dbraw/zinc/34/97/00/546349700.db2.gz MODODHPHUJGDFB-AWEZNQCLSA-N 1 2 331.376 0.899 20 30 ECEDLO C[C@H](O)CN1CC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000619721681 546364295 /nfs/dbraw/zinc/36/42/95/546364295.db2.gz QTKSRSQYGBUYKC-BQFCYCMXSA-N 1 2 347.459 0.879 20 30 ECEDLO C[C@H](O)CN1CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000619721681 546364297 /nfs/dbraw/zinc/36/42/97/546364297.db2.gz QTKSRSQYGBUYKC-BQFCYCMXSA-N 1 2 347.459 0.879 20 30 ECEDLO C[C@H](O)CN1CC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000619721682 546364372 /nfs/dbraw/zinc/36/43/72/546364372.db2.gz QTKSRSQYGBUYKC-RYRKJORJSA-N 1 2 347.459 0.879 20 30 ECEDLO C[C@H](O)CN1CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000619721682 546364376 /nfs/dbraw/zinc/36/43/76/546364376.db2.gz QTKSRSQYGBUYKC-RYRKJORJSA-N 1 2 347.459 0.879 20 30 ECEDLO C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2[nH+]ccn2CC)C1=O ZINC000622083206 546626985 /nfs/dbraw/zinc/62/69/85/546626985.db2.gz ZMONYZWFTITAJO-SNVBAGLBSA-N 1 2 333.348 0.057 20 30 ECEDLO C=CC[C@@H](CO)NC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000624928415 546992761 /nfs/dbraw/zinc/99/27/61/546992761.db2.gz BLFYUELKCHTXBT-HOTGVXAUSA-N 1 2 334.420 0.519 20 30 ECEDLO C=CC[C@@H](CO)NC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000624928415 546992764 /nfs/dbraw/zinc/99/27/64/546992764.db2.gz BLFYUELKCHTXBT-HOTGVXAUSA-N 1 2 334.420 0.519 20 30 ECEDLO C=CCN1CC[C@H](N2CCc3[nH+]c[nH]c3[C@@H]2c2ccnn2C)C1=O ZINC000625499884 547124701 /nfs/dbraw/zinc/12/47/01/547124701.db2.gz NRKFMOYTLWAABA-HOCLYGCPSA-N 1 2 326.404 0.878 20 30 ECEDLO C=C[C@@](C)(O)C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000668708747 547731770 /nfs/dbraw/zinc/73/17/70/547731770.db2.gz FXWVCCGVZCEEFE-GOSISDBHSA-N 1 2 337.464 0.764 20 30 ECEDLO C=CCCOCCCCC(=O)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000678812259 549052990 /nfs/dbraw/zinc/05/29/90/549052990.db2.gz KGRMMZRKJGJOGD-UHFFFAOYSA-N 1 2 325.453 0.982 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ncccc3C)C[C@H]2O)nc1 ZINC001078030201 782175026 /nfs/dbraw/zinc/17/50/26/782175026.db2.gz MNZIHPUQXMFDMA-QZTJIDSGSA-N 1 2 336.395 0.741 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ncccc3C)C[C@H]2O)nc1 ZINC001078030201 782175031 /nfs/dbraw/zinc/17/50/31/782175031.db2.gz MNZIHPUQXMFDMA-QZTJIDSGSA-N 1 2 336.395 0.741 20 30 ECEDLO C#CCNC(=O)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000748773946 579328631 /nfs/dbraw/zinc/32/86/31/579328631.db2.gz AIBKNOXVJVYBRB-UHFFFAOYSA-N 1 2 328.284 0.687 20 30 ECEDLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1 ZINC000751313383 579365758 /nfs/dbraw/zinc/36/57/58/579365758.db2.gz MMNQVJUGPBJNDN-LLVKDONJSA-N 1 2 327.381 0.384 20 30 ECEDLO C=C(Br)CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000751085134 579363204 /nfs/dbraw/zinc/36/32/04/579363204.db2.gz JNTWVXMOQLBEKX-UHFFFAOYSA-N 1 2 333.230 0.486 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1cnc2ccccn12 ZINC000755497988 579434228 /nfs/dbraw/zinc/43/42/28/579434228.db2.gz DLJZSFIYPQFBJH-UHFFFAOYSA-N 1 2 332.433 0.465 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2coc(S(=O)(=O)N(C)C)c2)CC1 ZINC000755821421 579439689 /nfs/dbraw/zinc/43/96/89/579439689.db2.gz QZILIRHUHKMJPE-UHFFFAOYSA-N 1 2 339.417 0.311 20 30 ECEDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(CC#N)cc2)CC1 ZINC000759035622 579485572 /nfs/dbraw/zinc/48/55/72/579485572.db2.gz LHKFIYBUMINJAJ-UHFFFAOYSA-N 1 2 349.456 0.991 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000730283331 578304742 /nfs/dbraw/zinc/30/47/42/578304742.db2.gz WSAVTAZPJWCNRH-INIZCTEOSA-N 1 2 328.416 0.296 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000730283331 578304743 /nfs/dbraw/zinc/30/47/43/578304743.db2.gz WSAVTAZPJWCNRH-INIZCTEOSA-N 1 2 328.416 0.296 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCCOC(C)(C)C)CC1 ZINC000796178562 578623268 /nfs/dbraw/zinc/62/32/68/578623268.db2.gz COLNILTXGQQZIU-UHFFFAOYSA-N 1 2 337.464 0.865 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCOC(C)(C)C)CC1 ZINC000796178562 578623269 /nfs/dbraw/zinc/62/32/69/578623269.db2.gz COLNILTXGQQZIU-UHFFFAOYSA-N 1 2 337.464 0.865 20 30 ECEDLO C#CCCCCCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000780525466 578695762 /nfs/dbraw/zinc/69/57/62/578695762.db2.gz ALXDVCLYEUFGMI-INIZCTEOSA-N 1 2 335.448 0.619 20 30 ECEDLO O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCCCn1cc[nH+]c1 ZINC000782048303 578719366 /nfs/dbraw/zinc/71/93/66/578719366.db2.gz KBTCTXKPHRPZOB-UHFFFAOYSA-N 1 2 348.384 0.555 20 30 ECEDLO C#CCOCCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000784234211 578749876 /nfs/dbraw/zinc/74/98/76/578749876.db2.gz CYGAUXNREGYCRT-OAHLLOKOSA-N 1 2 327.450 0.143 20 30 ECEDLO C[C@@H](OC(=O)C[N@H+](C)[C@H]1CCSC1)C(=O)NC1(C#N)CCC1 ZINC000787769938 578816313 /nfs/dbraw/zinc/81/63/13/578816313.db2.gz XHRMIDNIAFNBMO-NEPJUHHUSA-N 1 2 325.434 0.918 20 30 ECEDLO C[C@@H](OC(=O)C[N@@H+](C)[C@H]1CCSC1)C(=O)NC1(C#N)CCC1 ZINC000787769938 578816314 /nfs/dbraw/zinc/81/63/14/578816314.db2.gz XHRMIDNIAFNBMO-NEPJUHHUSA-N 1 2 325.434 0.918 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCNc1ccc(C#N)cn1 ZINC000788867965 578844559 /nfs/dbraw/zinc/84/45/59/578844559.db2.gz QEVOSJJWUQHXMS-CQSZACIVSA-N 1 2 346.435 0.727 20 30 ECEDLO COC(=O)c1ncn(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000793589366 578931549 /nfs/dbraw/zinc/93/15/49/578931549.db2.gz GRIQJBYPLVLTSA-LBPRGKRZSA-N 1 2 328.332 0.442 20 30 ECEDLO COC(=O)c1ncn(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000793589366 578931550 /nfs/dbraw/zinc/93/15/50/578931550.db2.gz GRIQJBYPLVLTSA-LBPRGKRZSA-N 1 2 328.332 0.442 20 30 ECEDLO C=C(Br)CNC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000793731228 578937905 /nfs/dbraw/zinc/93/79/05/578937905.db2.gz XKDIPLXYVJHGNE-UHFFFAOYSA-N 1 2 329.198 0.804 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](Cc2cccc3nsnc32)CC1 ZINC000766054570 579079736 /nfs/dbraw/zinc/07/97/36/579079736.db2.gz XZAXULQGDGDKOD-UHFFFAOYSA-N 1 2 329.429 0.558 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2cccc3nsnc32)CC1 ZINC000766054570 579079737 /nfs/dbraw/zinc/07/97/37/579079737.db2.gz XZAXULQGDGDKOD-UHFFFAOYSA-N 1 2 329.429 0.558 20 30 ECEDLO Cc1cc(NC(=O)NCCNC(=O)C2N=CC=CC2=O)c(C)c[nH+]1 ZINC000767943147 579119149 /nfs/dbraw/zinc/11/91/49/579119149.db2.gz MOJBLAQWDAKCGY-CCEZHUSRSA-N 1 2 329.360 0.768 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCC(C)(C)C(C)=O)CC1 ZINC000772783370 579214757 /nfs/dbraw/zinc/21/47/57/579214757.db2.gz CIZDBKHOKDVDPV-UHFFFAOYSA-N 1 2 335.448 0.666 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCC(C)(C)C(C)=O)CC1 ZINC000772783370 579214758 /nfs/dbraw/zinc/21/47/58/579214758.db2.gz CIZDBKHOKDVDPV-UHFFFAOYSA-N 1 2 335.448 0.666 20 30 ECEDLO C#CC(=O)N1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000779709273 579319779 /nfs/dbraw/zinc/31/97/79/579319779.db2.gz SGERGCXFJNUSAD-QGZVFWFLSA-N 1 2 325.412 0.955 20 30 ECEDLO CC(C)C[N@H+](CCC#N)CC(=O)NCCCN(C)S(C)(=O)=O ZINC000739913981 579722032 /nfs/dbraw/zinc/72/20/32/579722032.db2.gz DIQNRBKTYXIXKL-UHFFFAOYSA-N 1 2 332.470 0.256 20 30 ECEDLO CC(C)C[N@@H+](CCC#N)CC(=O)NCCCN(C)S(C)(=O)=O ZINC000739913981 579722034 /nfs/dbraw/zinc/72/20/34/579722034.db2.gz DIQNRBKTYXIXKL-UHFFFAOYSA-N 1 2 332.470 0.256 20 30 ECEDLO C=C(Cl)CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000746411599 579838456 /nfs/dbraw/zinc/83/84/56/579838456.db2.gz LDMSZYPKUZAFLR-UHFFFAOYSA-N 1 2 341.799 0.023 20 30 ECEDLO C[S@@](=O)CC[NH+]1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000746469815 579840064 /nfs/dbraw/zinc/84/00/64/579840064.db2.gz TZJMKWGNKYNNCJ-XMMPIXPASA-N 1 2 348.472 0.883 20 30 ECEDLO C[S@@](=O)CCN1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000746469815 579840065 /nfs/dbraw/zinc/84/00/65/579840065.db2.gz TZJMKWGNKYNNCJ-XMMPIXPASA-N 1 2 348.472 0.883 20 30 ECEDLO Cn1c[nH+]cc1CCOC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000837321609 588949019 /nfs/dbraw/zinc/94/90/19/588949019.db2.gz KKMHPJBYEJHZLW-UHFFFAOYSA-N 1 2 348.384 0.356 20 30 ECEDLO C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)C#CC3CC3)c2)CC1 ZINC000837364073 588949707 /nfs/dbraw/zinc/94/97/07/588949707.db2.gz AFDONGOUKTWRLC-UHFFFAOYSA-N 1 2 347.440 0.975 20 30 ECEDLO C#CC[C@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cn1)C(=O)OC ZINC000837947508 588966992 /nfs/dbraw/zinc/96/69/92/588966992.db2.gz PIFLLSIEBWDKMI-HNNXBMFYSA-N 1 2 331.372 0.209 20 30 ECEDLO C#CC1(O)CN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)C1 ZINC000890521640 586051805 /nfs/dbraw/zinc/05/18/05/586051805.db2.gz NDXARHMIYWMVHH-UHFFFAOYSA-N 1 2 338.367 0.732 20 30 ECEDLO O=C(NCC#C[C@@H]1CCCCO1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000891109189 586082959 /nfs/dbraw/zinc/08/29/59/586082959.db2.gz GJUGAROURJSOAE-BBWFWOEESA-N 1 2 336.432 0.555 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccn4nnnc34)CC2)cc1 ZINC000895407401 586181404 /nfs/dbraw/zinc/18/14/04/586181404.db2.gz BWMRBXZZFLYACC-UHFFFAOYSA-N 1 2 347.382 0.954 20 30 ECEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc(C#N)cc2CO)CC1 ZINC000891653810 586185081 /nfs/dbraw/zinc/18/50/81/586185081.db2.gz MYKIJWLPRVTYNU-ZDUSSCGKSA-N 1 2 328.416 0.840 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000895915560 586212253 /nfs/dbraw/zinc/21/22/53/586212253.db2.gz BRNTZZTZSKOPBH-UHFFFAOYSA-N 1 2 343.836 0.631 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2c(C)nn(CC)c2C)CC1 ZINC000895915690 586212603 /nfs/dbraw/zinc/21/26/03/586212603.db2.gz HJHDRBWWYMJXOO-UHFFFAOYSA-N 1 2 339.465 0.105 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc3nccnc3c2)CC1 ZINC000895919567 586213152 /nfs/dbraw/zinc/21/31/52/586213152.db2.gz VYKOXMCITWXUJE-UHFFFAOYSA-N 1 2 345.428 0.215 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000895922230 586213218 /nfs/dbraw/zinc/21/32/18/586213218.db2.gz SJVFFSHNKCIRJO-UHFFFAOYSA-N 1 2 349.416 0.255 20 30 ECEDLO C#CCNC(=O)C1CCN(c2cc(N[C@@H](CC)CO)[nH+]cn2)CC1 ZINC000892149048 586224353 /nfs/dbraw/zinc/22/43/53/586224353.db2.gz WEHAZVXAKDZACF-AWEZNQCLSA-N 1 2 331.420 0.625 20 30 ECEDLO C#CCNC(=O)C1CCN(c2cc(N[C@@H](CC)CO)nc[nH+]2)CC1 ZINC000892149048 586224355 /nfs/dbraw/zinc/22/43/55/586224355.db2.gz WEHAZVXAKDZACF-AWEZNQCLSA-N 1 2 331.420 0.625 20 30 ECEDLO Cc1cc(C#N)cc(C)c1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000897225263 586289053 /nfs/dbraw/zinc/28/90/53/586289053.db2.gz JIUOQMYDOUZACF-INIZCTEOSA-N 1 2 331.416 0.940 20 30 ECEDLO C=CCCn1cc(C(=O)O[C@H](COC)C[N@@H+]2CCO[C@H](C)C2)nn1 ZINC000842966427 589043368 /nfs/dbraw/zinc/04/33/68/589043368.db2.gz IQRGSPRXHIICRK-KGLIPLIRSA-N 1 2 338.408 0.747 20 30 ECEDLO C=CCCn1cc(C(=O)O[C@H](COC)C[N@H+]2CCO[C@H](C)C2)nn1 ZINC000842966427 589043370 /nfs/dbraw/zinc/04/33/70/589043370.db2.gz IQRGSPRXHIICRK-KGLIPLIRSA-N 1 2 338.408 0.747 20 30 ECEDLO C#CCNC(=O)C[N@@H+](CC)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000015420154 586354623 /nfs/dbraw/zinc/35/46/23/586354623.db2.gz IKHVTINDGXSWKT-UHFFFAOYSA-N 1 2 330.388 0.655 20 30 ECEDLO C#CCNC(=O)C[N@H+](CC)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000015420154 586354625 /nfs/dbraw/zinc/35/46/25/586354625.db2.gz IKHVTINDGXSWKT-UHFFFAOYSA-N 1 2 330.388 0.655 20 30 ECEDLO C=CCNC(=O)CN1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000900038473 586520022 /nfs/dbraw/zinc/52/00/22/586520022.db2.gz UKURBOTUXDJTHC-UHFFFAOYSA-N 1 2 333.436 0.373 20 30 ECEDLO C=CC[C@@H]([NH2+]CCCc1ccc(S(N)(=O)=O)cc1)C(=O)OC ZINC000901687889 586713758 /nfs/dbraw/zinc/71/37/58/586713758.db2.gz HYBRYEMLWUVSTF-CQSZACIVSA-N 1 2 326.418 0.974 20 30 ECEDLO COCC[C@H]1CCN(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)C1=O ZINC000902067629 586719532 /nfs/dbraw/zinc/71/95/32/586719532.db2.gz ZKVAMRXLRBYWOR-MRXNPFEDSA-N 1 2 343.431 0.918 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000907584583 586740456 /nfs/dbraw/zinc/74/04/56/586740456.db2.gz WXUANJGZVLNIJM-BBRMVZONSA-N 1 2 340.383 0.681 20 30 ECEDLO C#Cc1cccc(CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000838722349 586821092 /nfs/dbraw/zinc/82/10/92/586821092.db2.gz AYAAAKTUJUBJDR-KRWDZBQOSA-N 1 2 331.416 0.502 20 30 ECEDLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000805474848 586910247 /nfs/dbraw/zinc/91/02/47/586910247.db2.gz SZOCWQSXUAAVDH-CHWSQXEVSA-N 1 2 349.412 0.989 20 30 ECEDLO CC[N@H+]1CCO[C@@H](C(=O)O[C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000805474848 586910249 /nfs/dbraw/zinc/91/02/49/586910249.db2.gz SZOCWQSXUAAVDH-CHWSQXEVSA-N 1 2 349.412 0.989 20 30 ECEDLO CC#CC[NH2+]Cc1cn(Cc2cc(=O)n3cc(C)sc3n2)nn1 ZINC000905838095 586916003 /nfs/dbraw/zinc/91/60/03/586916003.db2.gz DHMIJUIAGGMRIC-UHFFFAOYSA-N 1 2 328.401 0.817 20 30 ECEDLO C=CCn1c([C@@H]2CCOC2)nnc1N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000800772715 586973478 /nfs/dbraw/zinc/97/34/78/586973478.db2.gz NHJABFXPLHEGHV-CQSZACIVSA-N 1 2 348.451 0.178 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CCc2nc(-c3ccncc3)no2)CC1 ZINC000105322122 589079692 /nfs/dbraw/zinc/07/96/92/589079692.db2.gz XAFQCUVWQTXFAM-UHFFFAOYSA-N 1 2 325.372 0.842 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000906929665 586994896 /nfs/dbraw/zinc/99/48/96/586994896.db2.gz QVQJAEQNBCGTQT-OBQMCRIKSA-N 1 2 335.448 0.858 20 30 ECEDLO COCCCNC(=O)[C@H](C)N1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000801918814 587006109 /nfs/dbraw/zinc/00/61/09/587006109.db2.gz ZPKZLCGZIBHRSL-GJZGRUSLSA-N 1 2 326.441 0.074 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(CCO[C@@H](C)C#N)CC1 ZINC000801918814 587006112 /nfs/dbraw/zinc/00/61/12/587006112.db2.gz ZPKZLCGZIBHRSL-GJZGRUSLSA-N 1 2 326.441 0.074 20 30 ECEDLO C=CCN1CCN(C[N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)C1=O ZINC000839965320 587017931 /nfs/dbraw/zinc/01/79/31/587017931.db2.gz KPWMXLLKFILUOB-ZDUSSCGKSA-N 1 2 330.454 0.129 20 30 ECEDLO C=CCN1CCN(C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)C1=O ZINC000839965320 587017933 /nfs/dbraw/zinc/01/79/33/587017933.db2.gz KPWMXLLKFILUOB-ZDUSSCGKSA-N 1 2 330.454 0.129 20 30 ECEDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000807283964 587124228 /nfs/dbraw/zinc/12/42/28/587124228.db2.gz MNBMNQTUIGKBQM-DOMZBBRYSA-N 1 2 342.355 0.880 20 30 ECEDLO Cn1c[nH+]cc1CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000810755590 587202435 /nfs/dbraw/zinc/20/24/35/587202435.db2.gz XJCMAEAHHORJFW-UHFFFAOYSA-N 1 2 347.400 0.165 20 30 ECEDLO Cn1c[nH+]cc1CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000812196395 587232454 /nfs/dbraw/zinc/23/24/54/587232454.db2.gz PIVZTYPOAXXFSC-AAEUAGOBSA-N 1 2 348.407 0.978 20 30 ECEDLO CON(C)C(=O)C1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000812870951 587244153 /nfs/dbraw/zinc/24/41/53/587244153.db2.gz DSAFUAPJRYNGME-HNNXBMFYSA-N 1 2 330.388 0.816 20 30 ECEDLO COc1cc(C(=O)NCC[NH+]2CCN(C(C)=O)CC2)ccc1C#N ZINC000822030156 587641871 /nfs/dbraw/zinc/64/18/71/587641871.db2.gz QKLRIKCOZRPRTN-UHFFFAOYSA-N 1 2 330.388 0.461 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CC)[C@@H]2c2cccnc2)CC1 ZINC000823305289 587715242 /nfs/dbraw/zinc/71/52/42/587715242.db2.gz HYZLKLWKUHPFSB-FUHWJXTLSA-N 1 2 340.427 0.769 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[NH+]2CCC([C@@H](C)NC(=O)[O-])CC2)CC1 ZINC000823455553 587721428 /nfs/dbraw/zinc/72/14/28/587721428.db2.gz DUGRTCQMGLGKHR-CQSZACIVSA-N 1 2 336.436 0.132 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H]2[C@@H](C)NC(=O)[O-])CC1 ZINC000823457388 587721767 /nfs/dbraw/zinc/72/17/67/587721767.db2.gz YTGNCCGAFAFPCF-CABCVRRESA-N 1 2 336.436 0.274 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@H]2[C@@H](C)NC(=O)[O-])CC1 ZINC000823457388 587721768 /nfs/dbraw/zinc/72/17/68/587721768.db2.gz YTGNCCGAFAFPCF-CABCVRRESA-N 1 2 336.436 0.274 20 30 ECEDLO C#CCNC(=O)C1CCN(c2[nH+]ccc(C)c2-c2nn[nH]n2)CC1 ZINC000823849957 587745916 /nfs/dbraw/zinc/74/59/16/587745916.db2.gz DZXGCKUSUSUGNF-UHFFFAOYSA-N 1 2 325.376 0.536 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])CC1 ZINC000825619777 587953630 /nfs/dbraw/zinc/95/36/30/587953630.db2.gz OTHXWFVCKWBDNC-CRAIPNDOSA-N 1 2 343.427 0.815 20 30 ECEDLO C#C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1CCOCC1 ZINC000825666179 587955551 /nfs/dbraw/zinc/95/55/51/587955551.db2.gz JCYVVPYTOWYORK-IKGGRYGDSA-N 1 2 336.432 0.411 20 30 ECEDLO N#Cc1cc(C[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)ccn1 ZINC000826383451 588036915 /nfs/dbraw/zinc/03/69/15/588036915.db2.gz AZLMIASWZJOUBC-UHFFFAOYSA-N 1 2 347.386 0.851 20 30 ECEDLO N#Cc1cc(C[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)ccn1 ZINC000826383785 588037919 /nfs/dbraw/zinc/03/79/19/588037919.db2.gz PYRQROQYSJCSJS-UHFFFAOYSA-N 1 2 347.386 0.851 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(CC)c[nH]c2=O)CC1 ZINC000826551119 588069666 /nfs/dbraw/zinc/06/96/66/588069666.db2.gz YKRRTXIOGYOVHX-UHFFFAOYSA-N 1 2 344.415 0.247 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(CC)c[nH]c2=O)CC1 ZINC000826551119 588069667 /nfs/dbraw/zinc/06/96/67/588069667.db2.gz YKRRTXIOGYOVHX-UHFFFAOYSA-N 1 2 344.415 0.247 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccnn2C(F)F)CC1 ZINC000826556484 588070530 /nfs/dbraw/zinc/07/05/30/588070530.db2.gz ZUZJZZIJJIRDKG-UHFFFAOYSA-N 1 2 339.346 0.176 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccnn2C(F)F)CC1 ZINC000826556484 588070532 /nfs/dbraw/zinc/07/05/32/588070532.db2.gz ZUZJZZIJJIRDKG-UHFFFAOYSA-N 1 2 339.346 0.176 20 30 ECEDLO C[NH+]1CCN(C2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)CC1 ZINC000827445678 588120745 /nfs/dbraw/zinc/12/07/45/588120745.db2.gz VAXQEBLUBORCAU-SFHVURJKSA-N 1 2 342.443 0.830 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H](C[C@@H]2COCCO2)C(F)(F)F)CC1 ZINC000827526848 588125523 /nfs/dbraw/zinc/12/55/23/588125523.db2.gz QCJYALFZPJGTIT-OLZOCXBDSA-N 1 2 334.338 0.748 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2C#N)C[C@H](C)[N@H+]1CCO ZINC000832317705 588478743 /nfs/dbraw/zinc/47/87/43/588478743.db2.gz OVLHYUJTDFPZGX-TXEJJXNPSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2C#N)C[C@H](C)[N@@H+]1CCO ZINC000832317705 588478744 /nfs/dbraw/zinc/47/87/44/588478744.db2.gz OVLHYUJTDFPZGX-TXEJJXNPSA-N 1 2 341.408 0.773 20 30 ECEDLO COCCS(=O)(=O)CCC[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844369318 589109258 /nfs/dbraw/zinc/10/92/58/589109258.db2.gz KRCAUAGOEMEKAH-MRXNPFEDSA-N 1 2 340.445 0.975 20 30 ECEDLO COCCS(=O)(=O)CCC[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844369318 589109259 /nfs/dbraw/zinc/10/92/59/589109259.db2.gz KRCAUAGOEMEKAH-MRXNPFEDSA-N 1 2 340.445 0.975 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ncccc2SC)CC1 ZINC000845443055 589150305 /nfs/dbraw/zinc/15/03/05/589150305.db2.gz TUGXFCOVAVBWCA-UHFFFAOYSA-N 1 2 346.456 0.701 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ncccc2SC)CC1 ZINC000845443055 589150307 /nfs/dbraw/zinc/15/03/07/589150307.db2.gz TUGXFCOVAVBWCA-UHFFFAOYSA-N 1 2 346.456 0.701 20 30 ECEDLO COCCOCC[NH+]1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1 ZINC000846045477 589182918 /nfs/dbraw/zinc/18/29/18/589182918.db2.gz ODGMBIZYXBUZFE-UHFFFAOYSA-N 1 2 347.481 0.537 20 30 ECEDLO CC(=NNCCCn1cc[nH+]c1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000848416998 589292964 /nfs/dbraw/zinc/29/29/64/589292964.db2.gz HCZWDHKUUXROMQ-UHFFFAOYSA-N 1 2 326.360 0.817 20 30 ECEDLO Cc1cnc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)cn1 ZINC000849898894 589353148 /nfs/dbraw/zinc/35/31/48/589353148.db2.gz MPDKOUXFXXCSEP-UHFFFAOYSA-N 1 2 325.372 0.699 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C)C1CCOCC1 ZINC000850687615 589379460 /nfs/dbraw/zinc/37/94/60/589379460.db2.gz COJZTRRXOQWRAT-CQSZACIVSA-N 1 2 344.415 0.939 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cc(C)c(C(=O)OC)o2)CC1 ZINC000851757304 589420640 /nfs/dbraw/zinc/42/06/40/589420640.db2.gz SCOFYVMCFQUAMP-UHFFFAOYSA-N 1 2 340.401 0.704 20 30 ECEDLO C#C[C@H](NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)C1CCOCC1 ZINC000852642175 589504357 /nfs/dbraw/zinc/50/43/57/589504357.db2.gz XVEUIVCEWJTWIC-PVAVHDDUSA-N 1 2 335.448 0.919 20 30 ECEDLO C#CCC[N@@H+](CCOC)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000852752251 589510218 /nfs/dbraw/zinc/51/02/18/589510218.db2.gz RUTBWRCCRLTSFG-UHFFFAOYSA-N 1 2 334.376 0.020 20 30 ECEDLO C#CCC[N@H+](CCOC)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000852752251 589510219 /nfs/dbraw/zinc/51/02/19/589510219.db2.gz RUTBWRCCRLTSFG-UHFFFAOYSA-N 1 2 334.376 0.020 20 30 ECEDLO NC(CN1CCOCC1)=[NH+]OCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000111181623 589538356 /nfs/dbraw/zinc/53/83/56/589538356.db2.gz FAACHFDDKFCOKI-MRXNPFEDSA-N 1 2 346.431 0.801 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)NCCNc2ccc(C#N)cn2)[C@@H](C)CO1 ZINC000853384326 589542388 /nfs/dbraw/zinc/54/23/88/589542388.db2.gz OFQMEXLJGWWONT-UONOGXRCSA-N 1 2 346.435 0.774 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCCNc2ccc(C#N)cn2)[C@@H](C)CO1 ZINC000853384326 589542390 /nfs/dbraw/zinc/54/23/90/589542390.db2.gz OFQMEXLJGWWONT-UONOGXRCSA-N 1 2 346.435 0.774 20 30 ECEDLO COC(=O)NC1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000853627167 589552600 /nfs/dbraw/zinc/55/26/00/589552600.db2.gz QAMYBAVKDGQQPF-UHFFFAOYSA-N 1 2 330.388 0.987 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000854568269 589593383 /nfs/dbraw/zinc/59/33/83/589593383.db2.gz KOZUKJMHPUSKRX-LSDHHAIUSA-N 1 2 326.462 0.691 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2Cc3ccccc3CN2C(C)=O)CC1 ZINC000112920691 589617443 /nfs/dbraw/zinc/61/74/43/589617443.db2.gz AFLVBJZGMOGFSO-SFHVURJKSA-N 1 2 325.412 0.737 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H](C)N2C(=O)c3ccc(C)cc3C2=O)CC1 ZINC000112921141 589617660 /nfs/dbraw/zinc/61/76/60/589617660.db2.gz HOWGJUYXQFYIJT-AWEZNQCLSA-N 1 2 339.395 0.757 20 30 ECEDLO C=CCCONC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000856032512 589651665 /nfs/dbraw/zinc/65/16/65/589651665.db2.gz QBSBJELFGJUGOX-CQSZACIVSA-N 1 2 325.409 0.324 20 30 ECEDLO O=C(C#CC1CC1)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000856077942 589653939 /nfs/dbraw/zinc/65/39/39/589653939.db2.gz KJOCBINOTKKHGU-LJQANCHMSA-N 1 2 328.412 0.780 20 30 ECEDLO O=C(C#CC1CC1)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000856077942 589653941 /nfs/dbraw/zinc/65/39/41/589653941.db2.gz KJOCBINOTKKHGU-LJQANCHMSA-N 1 2 328.412 0.780 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000860146452 589747996 /nfs/dbraw/zinc/74/79/96/589747996.db2.gz HRHFBXIWEJTLIK-LBPRGKRZSA-N 1 2 331.372 0.466 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000860146452 589747999 /nfs/dbraw/zinc/74/79/99/589747999.db2.gz HRHFBXIWEJTLIK-LBPRGKRZSA-N 1 2 331.372 0.466 20 30 ECEDLO C[C@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1cccc(C#N)c1O ZINC000866555659 589750940 /nfs/dbraw/zinc/75/09/40/589750940.db2.gz TWXVIKRXRJXSAO-SJCJKPOMSA-N 1 2 331.372 0.542 20 30 ECEDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)NCc2ccc(OCC#N)cc2)C1 ZINC000866719823 589763765 /nfs/dbraw/zinc/76/37/65/589763765.db2.gz DOJFTWAYPASKQP-HNNXBMFYSA-N 1 2 339.417 0.339 20 30 ECEDLO C[N@H+]1CCO[C@H](CS(=O)(=O)NCc2ccc(OCC#N)cc2)C1 ZINC000866719823 589763769 /nfs/dbraw/zinc/76/37/69/589763769.db2.gz DOJFTWAYPASKQP-HNNXBMFYSA-N 1 2 339.417 0.339 20 30 ECEDLO C[N@@H+]1Cc2ccccc2[C@H]1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000867796421 589844170 /nfs/dbraw/zinc/84/41/70/589844170.db2.gz YWTXNKGFAZMPGM-DZGCQCFKSA-N 1 2 336.417 0.232 20 30 ECEDLO C[N@H+]1Cc2ccccc2[C@H]1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000867796421 589844172 /nfs/dbraw/zinc/84/41/72/589844172.db2.gz YWTXNKGFAZMPGM-DZGCQCFKSA-N 1 2 336.417 0.232 20 30 ECEDLO N#Cc1ncn(-c2ccccc2NC(=O)/C=C\C[NH+]2CCOCC2)n1 ZINC000868415854 589903863 /nfs/dbraw/zinc/90/38/63/589903863.db2.gz QSWPVNOMLVDKRW-UTCJRWHESA-N 1 2 338.371 0.966 20 30 ECEDLO C#C[C@H](CO)NC(=O)c1ccc(NCC[NH+]2CCOCC2)c(F)c1 ZINC000868673050 589920091 /nfs/dbraw/zinc/92/00/91/589920091.db2.gz SEKZBWSIUXKSOE-CQSZACIVSA-N 1 2 335.379 0.294 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000868818619 589928969 /nfs/dbraw/zinc/92/89/69/589928969.db2.gz CONAAHALBSPHGX-INIZCTEOSA-N 1 2 331.420 0.385 20 30 ECEDLO COCC(COC)[NH+]1CCN(C(=O)[C@@]2(C#N)CCCOC2)CC1 ZINC000868864765 589931703 /nfs/dbraw/zinc/93/17/03/589931703.db2.gz VIQYNCOZTPSLEA-MRXNPFEDSA-N 1 2 325.409 0.112 20 30 ECEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)c1nc(C)cs1 ZINC000863067382 589989399 /nfs/dbraw/zinc/98/93/99/589989399.db2.gz VWIUXUISTLZCIV-UHFFFAOYSA-N 1 2 327.479 0.972 20 30 ECEDLO O=S1(=O)CCC[C@H](N[NH+]=Cc2cnc(N3CCOCC3)s2)C1 ZINC000863132824 589990389 /nfs/dbraw/zinc/99/03/89/589990389.db2.gz GBIZDXUTPXOMAW-NSHDSACASA-N 1 2 344.462 0.480 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)cc1O ZINC000870064672 589995208 /nfs/dbraw/zinc/99/52/08/589995208.db2.gz PWTGEXLMQMMFQP-OAHLLOKOSA-N 1 2 331.372 0.437 20 30 ECEDLO CCOC(=O)C1(C)CC(=NNC(=S)NCC[NH+]2CCOCC2)C1 ZINC000872328970 590114911 /nfs/dbraw/zinc/11/49/11/590114911.db2.gz HVKGEPKOQPHCPR-UHFFFAOYSA-N 1 2 342.465 0.502 20 30 ECEDLO CC[C@]1(c2cnn(C)c2)NC(=O)N(C[NH+]2CCC(C#N)CC2)C1=O ZINC000124042515 590115232 /nfs/dbraw/zinc/11/52/32/590115232.db2.gz SJMMSNSLAQRICE-MRXNPFEDSA-N 1 2 330.392 0.770 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](OCC)C2CCCC2)CC1 ZINC000865177588 590129427 /nfs/dbraw/zinc/12/94/27/590129427.db2.gz DDPRHQBDJLAWIG-GOSISDBHSA-N 1 2 349.475 0.865 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](OCC)C2CCCC2)CC1 ZINC000865177588 590129429 /nfs/dbraw/zinc/12/94/29/590129429.db2.gz DDPRHQBDJLAWIG-GOSISDBHSA-N 1 2 349.475 0.865 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nccc(-c3ccnn3C)n2)CC1 ZINC000865419903 590144570 /nfs/dbraw/zinc/14/45/70/590144570.db2.gz BKPBQGHVINWGRS-UHFFFAOYSA-N 1 2 341.419 0.301 20 30 ECEDLO N#Cc1cc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)co1 ZINC000865788158 590157487 /nfs/dbraw/zinc/15/74/87/590157487.db2.gz FZYORWJPNGXYEN-UHFFFAOYSA-N 1 2 330.388 0.922 20 30 ECEDLO N#Cc1cc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)co1 ZINC000865788158 590157490 /nfs/dbraw/zinc/15/74/90/590157490.db2.gz FZYORWJPNGXYEN-UHFFFAOYSA-N 1 2 330.388 0.922 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000875058378 590266300 /nfs/dbraw/zinc/26/63/00/590266300.db2.gz MSIOESVKOCXQGR-CQSZACIVSA-N 1 2 332.404 0.308 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C)[C@H]1CCCO1 ZINC000875322964 590292866 /nfs/dbraw/zinc/29/28/66/590292866.db2.gz DPUQOVYROOCHQJ-GVDBMIGSSA-N 1 2 341.411 0.586 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C)[C@H]1CCCO1 ZINC000875322964 590292868 /nfs/dbraw/zinc/29/28/68/590292868.db2.gz DPUQOVYROOCHQJ-GVDBMIGSSA-N 1 2 341.411 0.586 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000875596379 590311996 /nfs/dbraw/zinc/31/19/96/590311996.db2.gz LVKIIPRDWCLNKX-GDBMZVCRSA-N 1 2 345.399 0.606 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000875601479 590313409 /nfs/dbraw/zinc/31/34/09/590313409.db2.gz MFPNTKIELJNIOB-AWEZNQCLSA-N 1 2 330.388 0.015 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000875608441 590315503 /nfs/dbraw/zinc/31/55/03/590315503.db2.gz WIYZTSDTJLZTMM-IAGOWNOFSA-N 1 2 343.427 0.656 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000875608441 590315507 /nfs/dbraw/zinc/31/55/07/590315507.db2.gz WIYZTSDTJLZTMM-IAGOWNOFSA-N 1 2 343.427 0.656 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](CC(=O)NC[C@H]3CCCO3)CC2)cc1 ZINC000879585340 590326142 /nfs/dbraw/zinc/32/61/42/590326142.db2.gz WCVQHJJNAJBUOE-QGZVFWFLSA-N 1 2 328.416 0.975 20 30 ECEDLO COC(=O)CCNC(=O)C[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000879588224 590326483 /nfs/dbraw/zinc/32/64/83/590326483.db2.gz NGANESQXRBMRDM-UHFFFAOYSA-N 1 2 348.378 0.499 20 30 ECEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)c1 ZINC000879614073 590329051 /nfs/dbraw/zinc/32/90/51/590329051.db2.gz YJONRWJJKPXLCP-SJORKVTESA-N 1 2 331.416 0.978 20 30 ECEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](O)[C@@H](O)C2)c1 ZINC000879614073 590329054 /nfs/dbraw/zinc/32/90/54/590329054.db2.gz YJONRWJJKPXLCP-SJORKVTESA-N 1 2 331.416 0.978 20 30 ECEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000879717530 590337584 /nfs/dbraw/zinc/33/75/84/590337584.db2.gz AAAODFIWRZJVGU-TZMCWYRMSA-N 1 2 348.428 0.928 20 30 ECEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000879717530 590337588 /nfs/dbraw/zinc/33/75/88/590337588.db2.gz AAAODFIWRZJVGU-TZMCWYRMSA-N 1 2 348.428 0.928 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2c3ccccc3n(CCC)c2=O)CC1 ZINC000128240947 590374666 /nfs/dbraw/zinc/37/46/66/590374666.db2.gz FMLCDCVRFSBXBY-UHFFFAOYSA-N 1 2 340.427 0.990 20 30 ECEDLO CNS(=O)(=O)c1ccc(N2CC[NH+](CC#CCOC)CC2)cc1 ZINC000880266564 590380928 /nfs/dbraw/zinc/38/09/28/590380928.db2.gz OLLPJJYEJTVJCT-UHFFFAOYSA-N 1 2 337.445 0.367 20 30 ECEDLO CC(=O)[C@](C#N)(CC[NH+]1CCN(C(=O)[C@@H](C)O)CC1)c1ccccc1 ZINC000878331620 590516537 /nfs/dbraw/zinc/51/65/37/590516537.db2.gz WVROTRJKADFEFW-DNVCBOLYSA-N 1 2 343.427 0.952 20 30 ECEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCc2c(CC(N)=O)cccc2C1)C1CC1 ZINC000879229295 590572618 /nfs/dbraw/zinc/57/26/18/590572618.db2.gz SZZAXBWWXCFXBN-LJQANCHMSA-N 1 2 340.427 0.881 20 30 ECEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCc2c(CC(N)=O)cccc2C1)C1CC1 ZINC000879229295 590572621 /nfs/dbraw/zinc/57/26/21/590572621.db2.gz SZZAXBWWXCFXBN-LJQANCHMSA-N 1 2 340.427 0.881 20 30 ECEDLO C#CCC1(O)CCN(c2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CC1 ZINC000882969511 590599980 /nfs/dbraw/zinc/59/99/80/590599980.db2.gz XHALBDQTPBPMHD-UHFFFAOYSA-N 1 2 329.404 0.110 20 30 ECEDLO C#CCC1(O)CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC000882969511 590599982 /nfs/dbraw/zinc/59/99/82/590599982.db2.gz XHALBDQTPBPMHD-UHFFFAOYSA-N 1 2 329.404 0.110 20 30 ECEDLO C=C(C)C[C@H](CO)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000883372273 590614582 /nfs/dbraw/zinc/61/45/82/590614582.db2.gz UXXFIXXXCPELRH-CQSZACIVSA-N 1 2 347.481 0.122 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cnnn2-c2ccccc2)C1 ZINC000885509432 590728598 /nfs/dbraw/zinc/72/85/98/590728598.db2.gz SSXOBKUWHYYPRG-AWEZNQCLSA-N 1 2 345.428 0.643 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cnnn2-c2ccccc2)C1 ZINC000885509432 590728600 /nfs/dbraw/zinc/72/86/00/590728600.db2.gz SSXOBKUWHYYPRG-AWEZNQCLSA-N 1 2 345.428 0.643 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1 ZINC000885513753 590729727 /nfs/dbraw/zinc/72/97/27/590729727.db2.gz FBNYWHHVWUVGMJ-LBPRGKRZSA-N 1 2 349.412 0.507 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1 ZINC000885513753 590729731 /nfs/dbraw/zinc/72/97/31/590729731.db2.gz FBNYWHHVWUVGMJ-LBPRGKRZSA-N 1 2 349.412 0.507 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2c[nH]c(C(=O)OC)c2)C1 ZINC000885512755 590730083 /nfs/dbraw/zinc/73/00/83/590730083.db2.gz YQUYRTLYOUSIIC-LLVKDONJSA-N 1 2 325.390 0.177 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2c[nH]c(C(=O)OC)c2)C1 ZINC000885512755 590730086 /nfs/dbraw/zinc/73/00/86/590730086.db2.gz YQUYRTLYOUSIIC-LLVKDONJSA-N 1 2 325.390 0.177 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)C1 ZINC000885513757 590730415 /nfs/dbraw/zinc/73/04/15/590730415.db2.gz FEKPVFBHTRHFPU-ZDUSSCGKSA-N 1 2 335.429 0.470 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)C1 ZINC000885513757 590730417 /nfs/dbraw/zinc/73/04/17/590730417.db2.gz FEKPVFBHTRHFPU-ZDUSSCGKSA-N 1 2 335.429 0.470 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1cccc(Cn2cccn2)c1 ZINC000884099996 590740095 /nfs/dbraw/zinc/74/00/95/590740095.db2.gz GLXSDOPMNSNTET-INIZCTEOSA-N 1 2 342.399 0.994 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1nc2c(cccc2F)n1C ZINC000884218426 590779434 /nfs/dbraw/zinc/77/94/34/590779434.db2.gz ODNANYORVWDBDW-LBPRGKRZSA-N 1 2 348.378 0.818 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1cn(C)nc1C(F)(F)F ZINC000884329246 590806470 /nfs/dbraw/zinc/80/64/70/590806470.db2.gz JDWHJMWHLOJNQS-JTQLQIEISA-N 1 2 348.325 0.844 20 30 ECEDLO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000886210013 590814447 /nfs/dbraw/zinc/81/44/47/590814447.db2.gz BFUABFCOZPJXCH-TYNCELHUSA-N 1 2 325.434 0.256 20 30 ECEDLO CC(C)(C)[N@H+]1CC[C@H]1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000886210013 590814448 /nfs/dbraw/zinc/81/44/48/590814448.db2.gz BFUABFCOZPJXCH-TYNCELHUSA-N 1 2 325.434 0.256 20 30 ECEDLO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000886210012 590814500 /nfs/dbraw/zinc/81/45/00/590814500.db2.gz BFUABFCOZPJXCH-LALPHHSUSA-N 1 2 325.434 0.256 20 30 ECEDLO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000886210012 590814502 /nfs/dbraw/zinc/81/45/02/590814502.db2.gz BFUABFCOZPJXCH-LALPHHSUSA-N 1 2 325.434 0.256 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)cn1 ZINC000947999747 611375693 /nfs/dbraw/zinc/37/56/93/611375693.db2.gz CPHPPWBKDBLDKC-UHFFFAOYSA-N 1 2 337.383 0.750 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000948102251 611428430 /nfs/dbraw/zinc/42/84/30/611428430.db2.gz HAGJHIOHQUAQPU-CHWSQXEVSA-N 1 2 329.404 0.712 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3C[C@@H]3C[C@H]2C)CC1 ZINC000932036187 611594283 /nfs/dbraw/zinc/59/42/83/611594283.db2.gz AGRNAELPLRVQNU-LTIDMASMSA-N 1 2 331.460 0.952 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3C[C@@H]3C[C@H]2C)CC1 ZINC000932036187 611594285 /nfs/dbraw/zinc/59/42/85/611594285.db2.gz AGRNAELPLRVQNU-LTIDMASMSA-N 1 2 331.460 0.952 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC(NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC000947660874 611639161 /nfs/dbraw/zinc/63/91/61/611639161.db2.gz FPBFTDRXPHSIDP-UHFFFAOYSA-N 1 2 340.387 0.881 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C[C@H]3CCC(=O)N3C)CC2)C1 ZINC000949433547 608677745 /nfs/dbraw/zinc/67/77/45/608677745.db2.gz YURLPSCSXQZCPG-OAHLLOKOSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C[C@H]3CCC(=O)N3C)CC2)C1 ZINC000949433547 608677746 /nfs/dbraw/zinc/67/77/46/608677746.db2.gz YURLPSCSXQZCPG-OAHLLOKOSA-N 1 2 333.432 0.324 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cnon3)[C@H](C)C2)nn1 ZINC000947791420 608737161 /nfs/dbraw/zinc/73/71/61/608737161.db2.gz BZSZNBHQXYTEDX-NEPJUHHUSA-N 1 2 331.380 0.630 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cnon3)[C@H](C)C2)nn1 ZINC000947791420 608737163 /nfs/dbraw/zinc/73/71/63/608737163.db2.gz BZSZNBHQXYTEDX-NEPJUHHUSA-N 1 2 331.380 0.630 20 30 ECEDLO CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000937063430 608944611 /nfs/dbraw/zinc/94/46/11/608944611.db2.gz TZYNMNFGKSUBKC-CYBMUJFWSA-N 1 2 340.387 0.535 20 30 ECEDLO CC(C)(C(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1)c1c[nH+]c[nH]1 ZINC000937795833 609089362 /nfs/dbraw/zinc/08/93/62/609089362.db2.gz INHLPNXYTUCNJZ-LBPRGKRZSA-N 1 2 340.387 0.918 20 30 ECEDLO CC(C)(C(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1)c1c[nH+]c[nH]1 ZINC000937850025 609113984 /nfs/dbraw/zinc/11/39/84/609113984.db2.gz QDVUOTCBNKDDBT-LBPRGKRZSA-N 1 2 340.387 0.918 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000937982808 609436248 /nfs/dbraw/zinc/43/62/48/609436248.db2.gz LCOKMZYFHIMZIC-HOTGVXAUSA-N 1 2 343.431 0.006 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000938168517 609477761 /nfs/dbraw/zinc/47/77/61/609477761.db2.gz ACCXKEKLZCJRML-CABCVRRESA-N 1 2 326.400 0.576 20 30 ECEDLO N#Cc1cncc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c1 ZINC000921321740 609703120 /nfs/dbraw/zinc/70/31/20/609703120.db2.gz JGOVCSRCYWNYTD-ZIAGYGMSSA-N 1 2 338.458 0.811 20 30 ECEDLO N#Cc1cncc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)c1 ZINC000921321740 609703122 /nfs/dbraw/zinc/70/31/22/609703122.db2.gz JGOVCSRCYWNYTD-ZIAGYGMSSA-N 1 2 338.458 0.811 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000938387010 609768471 /nfs/dbraw/zinc/76/84/71/609768471.db2.gz GDCHPPJWWDFIGE-LBPRGKRZSA-N 1 2 326.360 0.491 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000938602759 609895573 /nfs/dbraw/zinc/89/55/73/609895573.db2.gz RYLYEQRVQAQIEK-OAGGEKHMSA-N 1 2 346.431 0.993 20 30 ECEDLO CC(C)(C#N)CS(=O)(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000916237541 609935332 /nfs/dbraw/zinc/93/53/32/609935332.db2.gz COEIMIAZDUEGRA-UHFFFAOYSA-N 1 2 345.465 0.337 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](N(C)C(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC000938967527 610058486 /nfs/dbraw/zinc/05/84/86/610058486.db2.gz ZWEQWAVTEQAABG-CQSZACIVSA-N 1 2 337.383 0.702 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000939907767 610168679 /nfs/dbraw/zinc/16/86/79/610168679.db2.gz BHUVRMWVDVODNO-CYBMUJFWSA-N 1 2 326.360 0.525 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)c1 ZINC000940011574 610185587 /nfs/dbraw/zinc/18/55/87/610185587.db2.gz ZMWAZYROJYEASX-IUODEOHRSA-N 1 2 337.383 0.605 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000940063075 610198968 /nfs/dbraw/zinc/19/89/68/610198968.db2.gz XNPQFSWXAFILEF-CYBMUJFWSA-N 1 2 340.387 0.583 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ncccc2O)C1 ZINC000940130488 610214778 /nfs/dbraw/zinc/21/47/78/610214778.db2.gz OGPZNDDTSBMRON-KGLIPLIRSA-N 1 2 342.399 0.216 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ncccc2O)C1 ZINC000940130488 610214779 /nfs/dbraw/zinc/21/47/79/610214779.db2.gz OGPZNDDTSBMRON-KGLIPLIRSA-N 1 2 342.399 0.216 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)Cn3ccc(C)n3)CC2)C1 ZINC000941422222 610307515 /nfs/dbraw/zinc/30/75/15/610307515.db2.gz IZQYMLDOJFIALW-INIZCTEOSA-N 1 2 343.475 0.679 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c[nH]nc3C(C)C)CC2)C1 ZINC000941470795 610329605 /nfs/dbraw/zinc/32/96/05/610329605.db2.gz HXMMQKKUAKNAGP-UHFFFAOYSA-N 1 2 329.448 0.998 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCc3cccnc3)CC2)C1 ZINC000941476129 610332408 /nfs/dbraw/zinc/33/24/08/610332408.db2.gz NHMCLXKPRSJQSF-UHFFFAOYSA-N 1 2 326.444 0.866 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@]34CCO[C@@H]3CCCC4)CC2)C1 ZINC000941484368 610337425 /nfs/dbraw/zinc/33/74/25/610337425.db2.gz VIDBKKKDYNSYCN-IEBWSBKVSA-N 1 2 331.460 0.797 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCOC[C@@H]3OCC)CC2)C1 ZINC000941489279 610339783 /nfs/dbraw/zinc/33/97/83/610339783.db2.gz DOZFYUUAXIPVDN-WMZOPIPTSA-N 1 2 349.475 0.280 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000942279702 610380656 /nfs/dbraw/zinc/38/06/56/610380656.db2.gz NEGHFIMRAOQXQT-MRXNPFEDSA-N 1 2 336.395 0.893 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(C(C)C)n[nH]3)CC2)C1 ZINC000941578296 610391499 /nfs/dbraw/zinc/39/14/99/610391499.db2.gz HOXHSBWEHZEJRF-UHFFFAOYSA-N 1 2 329.448 0.998 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(C)nc3OCC)CC2)C1 ZINC000941621190 610425953 /nfs/dbraw/zinc/42/59/53/610425953.db2.gz WVJOSUOVZWCQDU-UHFFFAOYSA-N 1 2 342.443 0.864 20 30 ECEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCCS2(=O)=O)C(C)(C)C1 ZINC000940914630 610431019 /nfs/dbraw/zinc/43/10/19/610431019.db2.gz NXSJGSDUXORAGW-ZIAGYGMSSA-N 1 2 326.462 0.804 20 30 ECEDLO C#CC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCCS2(=O)=O)C(C)(C)C1 ZINC000940914630 610431020 /nfs/dbraw/zinc/43/10/20/610431020.db2.gz NXSJGSDUXORAGW-ZIAGYGMSSA-N 1 2 326.462 0.804 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ncccc3OCC)CC2)C1 ZINC000941692761 610466990 /nfs/dbraw/zinc/46/69/90/610466990.db2.gz NNMUNZDGFJYQRU-UHFFFAOYSA-N 1 2 328.416 0.556 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H](N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000942720125 610584519 /nfs/dbraw/zinc/58/45/19/610584519.db2.gz OHEIQCLQGLAHHD-GJZGRUSLSA-N 1 2 337.464 0.979 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H](N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000942720125 610584521 /nfs/dbraw/zinc/58/45/21/610584521.db2.gz OHEIQCLQGLAHHD-GJZGRUSLSA-N 1 2 337.464 0.979 20 30 ECEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000942728941 610588966 /nfs/dbraw/zinc/58/89/66/610588966.db2.gz JIPXYGWKJXWQSU-CYBMUJFWSA-N 1 2 340.387 0.915 20 30 ECEDLO Cc1noc(C)c1C[NH+]1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC000941345322 610682977 /nfs/dbraw/zinc/68/29/77/610682977.db2.gz RQBGFRQKGXYGGT-GFCCVEGCSA-N 1 2 331.420 0.780 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCCCN(C(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000943168576 610738230 /nfs/dbraw/zinc/73/82/30/610738230.db2.gz GQCOHEURWGNHED-ZDUSSCGKSA-N 1 2 340.387 0.963 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(C)n3)C[C@H]2C)cn1 ZINC000944216254 610787783 /nfs/dbraw/zinc/78/77/83/610787783.db2.gz YBPUSMAZALAWMX-DYVFJYSZSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cnn(C)n3)C[C@H]2C)cn1 ZINC000944216254 610787784 /nfs/dbraw/zinc/78/77/84/610787784.db2.gz YBPUSMAZALAWMX-DYVFJYSZSA-N 1 2 338.415 0.832 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cnns3)C[C@@H]2C)nn1 ZINC000943496259 610883561 /nfs/dbraw/zinc/88/35/61/610883561.db2.gz HFBZJPGZESVDDX-AAEUAGOBSA-N 1 2 347.448 0.956 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cnns3)C[C@@H]2C)nn1 ZINC000943496259 610883564 /nfs/dbraw/zinc/88/35/64/610883564.db2.gz HFBZJPGZESVDDX-AAEUAGOBSA-N 1 2 347.448 0.956 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)Cc2[nH]cc[nH+]2)c[nH]1 ZINC000946296479 611201962 /nfs/dbraw/zinc/20/19/62/611201962.db2.gz YRTJTYBRFYOAAV-SMDDNHRTSA-N 1 2 340.387 0.867 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CCC[C@H]2NC(=O)Cc2c[nH]c[nH+]2)[nH]1 ZINC000946327251 611220355 /nfs/dbraw/zinc/22/03/55/611220355.db2.gz RRWXJCHZJMCDQC-BXUZGUMPSA-N 1 2 340.387 0.867 20 30 ECEDLO O=C(C#CC1CC1)N1CCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000950764601 611896224 /nfs/dbraw/zinc/89/62/24/611896224.db2.gz RNYYYPGYAGAPOU-HZPDHXFCSA-N 1 2 340.427 0.966 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCOC3(CCN(C(=O)C4CC4)CC3)C2)C1=O ZINC000949273488 611925020 /nfs/dbraw/zinc/92/50/20/611925020.db2.gz GFGLMCMIIMQQNR-MRXNPFEDSA-N 1 2 347.459 0.877 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCOC3(CCN(C(=O)C4CC4)CC3)C2)C1=O ZINC000949273488 611925022 /nfs/dbraw/zinc/92/50/22/611925022.db2.gz GFGLMCMIIMQQNR-MRXNPFEDSA-N 1 2 347.459 0.877 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](OC)c3cnn(C)c3)CC2)C1 ZINC000949426917 611975148 /nfs/dbraw/zinc/97/51/48/611975148.db2.gz AWNMPZHDUSCMJD-MRXNPFEDSA-N 1 2 346.431 0.434 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H](OC)c3cnn(C)c3)CC2)C1 ZINC000949426917 611975150 /nfs/dbraw/zinc/97/51/50/611975150.db2.gz AWNMPZHDUSCMJD-MRXNPFEDSA-N 1 2 346.431 0.434 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CCN2C(=O)CCc2[nH]cc[nH+]2)c[nH]1 ZINC000949491310 612003903 /nfs/dbraw/zinc/00/39/03/612003903.db2.gz ONOWRPSQXCAIAR-CYBMUJFWSA-N 1 2 326.360 0.573 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)C(C)(C)N3CCOCC3)CC2)C1 ZINC000949496180 612006269 /nfs/dbraw/zinc/00/62/69/612006269.db2.gz WTYHOCDGRVUJHT-UHFFFAOYSA-N 1 2 349.475 0.424 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)C(C)(C)N3CCOCC3)CC2)C1 ZINC000949496180 612006272 /nfs/dbraw/zinc/00/62/72/612006272.db2.gz WTYHOCDGRVUJHT-UHFFFAOYSA-N 1 2 349.475 0.424 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC000949631582 612047564 /nfs/dbraw/zinc/04/75/64/612047564.db2.gz HSJOLUWDULFVNB-UHFFFAOYSA-N 1 2 336.436 0.675 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C1 ZINC000953330674 612252147 /nfs/dbraw/zinc/25/21/47/612252147.db2.gz FKKBICLGOOPPBF-CABCVRRESA-N 1 2 326.400 0.815 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000952174354 612264576 /nfs/dbraw/zinc/26/45/76/612264576.db2.gz IJOKQRXLAXCDRU-MJBXVCDLSA-N 1 2 346.431 0.996 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000954641251 612481752 /nfs/dbraw/zinc/48/17/52/612481752.db2.gz RWLROJUWBWKQND-KQTLUZQSSA-N 1 2 344.415 0.774 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000954641251 612481755 /nfs/dbraw/zinc/48/17/55/612481755.db2.gz RWLROJUWBWKQND-KQTLUZQSSA-N 1 2 344.415 0.774 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]cn1C ZINC000952565216 612516259 /nfs/dbraw/zinc/51/62/59/612516259.db2.gz SPYAXXAMDGTMEO-MCIONIFRSA-N 1 2 329.404 0.714 20 30 ECEDLO C[C@@]1(NC(=O)c2cc(C#N)c[nH]2)CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000956800987 612564855 /nfs/dbraw/zinc/56/48/55/612564855.db2.gz MREQEWHZGPQSOI-QGZVFWFLSA-N 1 2 340.387 0.963 20 30 ECEDLO O=C(C#CC1CC1)N1CCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000956004106 612595823 /nfs/dbraw/zinc/59/58/23/612595823.db2.gz LZTWNLFCCPUSBC-WBVHZDCISA-N 1 2 340.427 0.966 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1[nH]cc[nH+]1 ZINC000952712701 612619737 /nfs/dbraw/zinc/61/97/37/612619737.db2.gz DMSPBIMYMUOXAA-GASCZTMLSA-N 1 2 326.400 0.958 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)Cc3ccc[nH]3)CC2)C1 ZINC000956594090 612921404 /nfs/dbraw/zinc/92/14/04/612921404.db2.gz KYBZUZWXIPPBBQ-GOEBONIOSA-N 1 2 343.431 0.462 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)Cc3ccc[nH]3)C2)CC1 ZINC000956606191 612924854 /nfs/dbraw/zinc/92/48/54/612924854.db2.gz PEWBJPLSRYFEQN-HOCLYGCPSA-N 1 2 343.431 0.462 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)C3=COCCC3)C2)CC1 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COCC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(Cl)[nH]2)[C@H](OC)C1 ZINC001213399661 736881426 /nfs/dbraw/zinc/88/14/26/736881426.db2.gz FOXIZAUZNCWEDV-CHWSQXEVSA-N 1 2 325.796 0.747 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(Cl)[nH]2)[C@H](OC)C1 ZINC001213399661 736881430 /nfs/dbraw/zinc/88/14/30/736881430.db2.gz FOXIZAUZNCWEDV-CHWSQXEVSA-N 1 2 325.796 0.747 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)C2)C1 ZINC000972574221 736889800 /nfs/dbraw/zinc/88/98/00/736889800.db2.gz XGRYZPDNEJJABT-CRAIPNDOSA-N 1 2 335.448 0.734 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)C2)C1 ZINC000972574221 736889803 /nfs/dbraw/zinc/88/98/03/736889803.db2.gz XGRYZPDNEJJABT-CRAIPNDOSA-N 1 2 335.448 0.734 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@@]3(C2)C[N@H+](CC=C)CCO3)nn1 ZINC000972591024 737006806 /nfs/dbraw/zinc/00/68/06/737006806.db2.gz XLXSBPJFAJEAJO-KRWDZBQOSA-N 1 2 331.420 0.957 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@@]3(C2)C[N@@H+](CC=C)CCO3)nn1 ZINC000972591024 737006807 /nfs/dbraw/zinc/00/68/07/737006807.db2.gz XLXSBPJFAJEAJO-KRWDZBQOSA-N 1 2 331.420 0.957 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 ZINC000972608090 737087331 /nfs/dbraw/zinc/08/73/31/737087331.db2.gz IWIXTIJROPEAOR-QGZVFWFLSA-N 1 2 327.388 0.832 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 ZINC000972608090 737087334 /nfs/dbraw/zinc/08/73/34/737087334.db2.gz IWIXTIJROPEAOR-QGZVFWFLSA-N 1 2 327.388 0.832 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn([C@H]4CCOC4)nn3)C2)C1 ZINC000972629235 737155304 /nfs/dbraw/zinc/15/53/04/737155304.db2.gz YHPZOZYYEZKIEF-WMLDXEAASA-N 1 2 347.419 0.342 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn([C@H]4CCOC4)nn3)C2)C1 ZINC000972629235 737155309 /nfs/dbraw/zinc/15/53/09/737155309.db2.gz YHPZOZYYEZKIEF-WMLDXEAASA-N 1 2 347.419 0.342 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4n[nH]cc4C3)C2)C1 ZINC000972633626 737179122 /nfs/dbraw/zinc/17/91/22/737179122.db2.gz GEQOAVWXGXNVNX-KSSFIOAISA-N 1 2 328.416 0.451 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4n[nH]cc4C3)C2)C1 ZINC000972633626 737179123 /nfs/dbraw/zinc/17/91/23/737179123.db2.gz GEQOAVWXGXNVNX-KSSFIOAISA-N 1 2 328.416 0.451 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCCN(C)C3=O)C2)C1 ZINC000972633978 737179827 /nfs/dbraw/zinc/17/98/27/737179827.db2.gz JJGSZZRGWQJZOW-QFBILLFUSA-N 1 2 347.459 0.572 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCCN(C)C3=O)C2)C1 ZINC000972633978 737179829 /nfs/dbraw/zinc/17/98/29/737179829.db2.gz JJGSZZRGWQJZOW-QFBILLFUSA-N 1 2 347.459 0.572 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnn4cc[nH]c34)C2)C1 ZINC000972654983 737262242 /nfs/dbraw/zinc/26/22/42/737262242.db2.gz ZCFGQIIGSPOOJZ-QGZVFWFLSA-N 1 2 327.388 0.603 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnn4cc[nH]c34)C2)C1 ZINC000972654983 737262244 /nfs/dbraw/zinc/26/22/44/737262244.db2.gz ZCFGQIIGSPOOJZ-QGZVFWFLSA-N 1 2 327.388 0.603 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnn(C)c3OC)C2)C1 ZINC000972656588 737264964 /nfs/dbraw/zinc/26/49/64/737264964.db2.gz UJDJVYOTBLMWHX-QGZVFWFLSA-N 1 2 332.404 0.369 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnn(C)c3OC)C2)C1 ZINC000972656588 737264969 /nfs/dbraw/zinc/26/49/69/737264969.db2.gz UJDJVYOTBLMWHX-QGZVFWFLSA-N 1 2 332.404 0.369 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CN3CCCCCC3=O)C2)C1 ZINC000972667246 737302236 /nfs/dbraw/zinc/30/22/36/737302236.db2.gz MCHLMGQEVSTAMP-SFHVURJKSA-N 1 2 333.432 0.326 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CN3CCCCCC3=O)C2)C1 ZINC000972667246 737302239 /nfs/dbraw/zinc/30/22/39/737302239.db2.gz MCHLMGQEVSTAMP-SFHVURJKSA-N 1 2 333.432 0.326 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3c(C)csc3=O)C2)C1 ZINC000972669223 737314645 /nfs/dbraw/zinc/31/46/45/737314645.db2.gz IVHBOPSWWWVHIM-QGZVFWFLSA-N 1 2 349.456 0.545 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3c(C)csc3=O)C2)C1 ZINC000972669223 737314649 /nfs/dbraw/zinc/31/46/49/737314649.db2.gz IVHBOPSWWWVHIM-QGZVFWFLSA-N 1 2 349.456 0.545 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3noc4c3COCC4)C2)C1 ZINC000972683717 737372930 /nfs/dbraw/zinc/37/29/30/737372930.db2.gz OOEQVYAMHXYWSB-GOSISDBHSA-N 1 2 345.399 0.688 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3noc4c3COCC4)C2)C1 ZINC000972683717 737372932 /nfs/dbraw/zinc/37/29/32/737372932.db2.gz OOEQVYAMHXYWSB-GOSISDBHSA-N 1 2 345.399 0.688 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)C2)C1 ZINC000972684325 737374220 /nfs/dbraw/zinc/37/42/20/737374220.db2.gz RKYWOPHETHUIGZ-DNVCBOLYSA-N 1 2 342.443 0.841 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)C2)C1 ZINC000972684325 737374222 /nfs/dbraw/zinc/37/42/22/737374222.db2.gz RKYWOPHETHUIGZ-DNVCBOLYSA-N 1 2 342.443 0.841 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCN3C(=O)CCC)C2)C1 ZINC000972688516 737383800 /nfs/dbraw/zinc/38/38/00/737383800.db2.gz OOFOWHHSPXJQDQ-VQIMIIECSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCN3C(=O)CCC)C2)C1 ZINC000972688516 737383805 /nfs/dbraw/zinc/38/38/05/737383805.db2.gz OOFOWHHSPXJQDQ-VQIMIIECSA-N 1 2 347.459 0.714 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CCCCC3=O)C2)C1 ZINC000972689781 737388926 /nfs/dbraw/zinc/38/89/26/737388926.db2.gz ZSHFBFGVGBMZLG-YJBOKZPZSA-N 1 2 335.448 0.877 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CCCCC3=O)C2)C1 ZINC000972689781 737388931 /nfs/dbraw/zinc/38/89/31/737388931.db2.gz ZSHFBFGVGBMZLG-YJBOKZPZSA-N 1 2 335.448 0.877 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCC2CCC2)C[C@H]1O ZINC001024357897 737920176 /nfs/dbraw/zinc/92/01/76/737920176.db2.gz YRMDIEXMNCJPQB-IXDOHACOSA-N 1 2 347.459 0.352 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCC2CCC2)C[C@H]1O ZINC001024357897 737920177 /nfs/dbraw/zinc/92/01/77/737920177.db2.gz YRMDIEXMNCJPQB-IXDOHACOSA-N 1 2 347.459 0.352 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCS(C)(=O)=O ZINC001024662193 738206464 /nfs/dbraw/zinc/20/64/64/738206464.db2.gz UDLVWAPASJTZGJ-ZNMIVQPWSA-N 1 2 344.477 0.593 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCS(C)(=O)=O ZINC001024662193 738206465 /nfs/dbraw/zinc/20/64/65/738206465.db2.gz UDLVWAPASJTZGJ-ZNMIVQPWSA-N 1 2 344.477 0.593 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001024805893 738311310 /nfs/dbraw/zinc/31/13/10/738311310.db2.gz FKDYSJMBHIVHKA-NEPJUHHUSA-N 1 2 335.857 0.401 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001024805893 738311313 /nfs/dbraw/zinc/31/13/13/738311313.db2.gz FKDYSJMBHIVHKA-NEPJUHHUSA-N 1 2 335.857 0.401 20 30 ECEDLO C[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@@H]1CCC[N@H+](Cc2nnnn2C)C1 ZINC001025383652 739337075 /nfs/dbraw/zinc/33/70/75/739337075.db2.gz XMJMEBPKUQXCFK-WCQYABFASA-N 1 2 342.407 0.440 20 30 ECEDLO C[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@@H]1CCC[N@@H+](Cc2nnnn2C)C1 ZINC001025383652 739337081 /nfs/dbraw/zinc/33/70/81/739337081.db2.gz XMJMEBPKUQXCFK-WCQYABFASA-N 1 2 342.407 0.440 20 30 ECEDLO N#Cc1cnc(N2CCC3(C[C@@H]3NC(=O)Cc3[nH]cc[nH+]3)CC2)cn1 ZINC001058639833 739654098 /nfs/dbraw/zinc/65/40/98/739654098.db2.gz SOUNBOOTBRDGRN-ZDUSSCGKSA-N 1 2 337.387 0.789 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](Cc3cnon3)C2)nn1 ZINC001025555855 739718944 /nfs/dbraw/zinc/71/89/44/739718944.db2.gz QJYLEILHAGPCDH-STQMWFEESA-N 1 2 345.407 0.878 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](Cc3cnon3)C2)nn1 ZINC001025555855 739718948 /nfs/dbraw/zinc/71/89/48/739718948.db2.gz QJYLEILHAGPCDH-STQMWFEESA-N 1 2 345.407 0.878 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)CCCOC)C2)nn1 ZINC001105359590 751490057 /nfs/dbraw/zinc/49/00/57/751490057.db2.gz NWXPUTLOKJAHTR-CQSZACIVSA-N 1 2 333.436 0.837 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3n[nH]cc3c2)[C@@H](n2ccnn2)C1 ZINC001070009053 790313591 /nfs/dbraw/zinc/31/35/91/790313591.db2.gz HEWMRGWAFXTTMI-CVEARBPZSA-N 1 2 335.371 0.443 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3n[nH]cc3c2)[C@@H](n2ccnn2)C1 ZINC001070009053 790313593 /nfs/dbraw/zinc/31/35/93/790313593.db2.gz HEWMRGWAFXTTMI-CVEARBPZSA-N 1 2 335.371 0.443 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3csc(COC)n3)[C@H]2C1 ZINC001083290181 740380610 /nfs/dbraw/zinc/38/06/10/740380610.db2.gz LSRJUHMQVDZJBV-UONOGXRCSA-N 1 2 335.429 0.838 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3csc(COC)n3)[C@H]2C1 ZINC001083290181 740380615 /nfs/dbraw/zinc/38/06/15/740380615.db2.gz LSRJUHMQVDZJBV-UONOGXRCSA-N 1 2 335.429 0.838 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cn3cccn3)C2)nn1 ZINC001098611954 740904302 /nfs/dbraw/zinc/90/43/02/740904302.db2.gz WLQLJTTWEHGIBW-HNNXBMFYSA-N 1 2 327.392 0.061 20 30 ECEDLO CN(C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)c1ccnc(C#N)n1 ZINC001058705977 740978664 /nfs/dbraw/zinc/97/86/64/740978664.db2.gz QOZRXBWGPYDWIS-CYBMUJFWSA-N 1 2 339.403 0.989 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CCN1c1ccc(C#N)nn1 ZINC001067542026 741101075 /nfs/dbraw/zinc/10/10/75/741101075.db2.gz HDHUODLMQTYEDX-QWHCGFSZSA-N 1 2 325.376 0.718 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CC2(CCN(CC#N)CC2)O1 ZINC001098615985 741124503 /nfs/dbraw/zinc/12/45/03/741124503.db2.gz FTDGKXCMSZJSIW-OAHLLOKOSA-N 1 2 345.447 0.958 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[N@@H+]([C@@H]3CCN(CC)C3=O)CC2)nn1 ZINC000982117861 751611520 /nfs/dbraw/zinc/61/15/20/751611520.db2.gz QEQFJQLMCADLKS-OAHLLOKOSA-N 1 2 346.435 0.233 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[N@H+]([C@@H]3CCN(CC)C3=O)CC2)nn1 ZINC000982117861 751611524 /nfs/dbraw/zinc/61/15/24/751611524.db2.gz QEQFJQLMCADLKS-OAHLLOKOSA-N 1 2 346.435 0.233 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]Cc1cn(C2CN(C(C)=O)C2)nn1 ZINC001105127789 741394798 /nfs/dbraw/zinc/39/47/98/741394798.db2.gz GKIAPVDNUZIKME-CYBMUJFWSA-N 1 2 348.451 0.584 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccs3)C2)nn1 ZINC001105141943 741413218 /nfs/dbraw/zinc/41/32/18/741413218.db2.gz DOHAXQGIJKUIKG-UHFFFAOYSA-N 1 2 345.428 0.776 20 30 ECEDLO CC/C=C(\C)C(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105182007 741446571 /nfs/dbraw/zinc/44/65/71/741446571.db2.gz TXWGKOPCDNLPQC-VGOFMYFVSA-N 1 2 331.420 0.757 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)C3CC3)C2)nn1 ZINC001105202215 741465360 /nfs/dbraw/zinc/46/53/60/741465360.db2.gz GHXUQOTYOOXKPI-LBPRGKRZSA-N 1 2 346.435 0.099 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)n3cccc3)C2)nn1 ZINC001105213621 741476600 /nfs/dbraw/zinc/47/66/00/741476600.db2.gz CSBQVAIZHLCTQE-CQSZACIVSA-N 1 2 326.404 0.837 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3coc(C(C)(C)C)n3)C2)nn1 ZINC001105240658 741534650 /nfs/dbraw/zinc/53/46/50/741534650.db2.gz WXGNGCKNHVNLTC-UHFFFAOYSA-N 1 2 342.403 0.984 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccc(COC)c3)C2)nn1 ZINC001105278635 741634115 /nfs/dbraw/zinc/63/41/15/741634115.db2.gz ORYUMWLGVPPQNP-UHFFFAOYSA-N 1 2 339.399 0.844 20 30 ECEDLO CC(C)[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)Nc1ccnc(C#N)n1 ZINC001105298619 741678399 /nfs/dbraw/zinc/67/83/99/741678399.db2.gz NBDCARACTLMYPH-CYBMUJFWSA-N 1 2 327.392 0.679 20 30 ECEDLO CC(C)[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)Nc1ccnc(C#N)n1 ZINC001105298619 741678402 /nfs/dbraw/zinc/67/84/02/741678402.db2.gz NBDCARACTLMYPH-CYBMUJFWSA-N 1 2 327.392 0.679 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ncccc3F)C2)nn1 ZINC001105312522 741729898 /nfs/dbraw/zinc/72/98/98/741729898.db2.gz PYATUBONOSBOPJ-UHFFFAOYSA-N 1 2 328.351 0.161 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC(n3cc(C[NH2+][C@H](CC)C(N)=O)nn3)C2)C1 ZINC001105323771 741789826 /nfs/dbraw/zinc/78/98/26/741789826.db2.gz HZBORGPQYOSEBK-CQSZACIVSA-N 1 2 346.435 0.371 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccnc(OCC)c3)C2)nn1 ZINC001105325328 741799907 /nfs/dbraw/zinc/79/99/07/741799907.db2.gz LGPVIAPGQOISMO-UHFFFAOYSA-N 1 2 340.387 0.492 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3cncs3)C2)nn1 ZINC001105328606 741821828 /nfs/dbraw/zinc/82/18/28/741821828.db2.gz MOBQSRHDRNFJJN-UHFFFAOYSA-N 1 2 344.444 0.864 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnnn2C)CC1(C)C ZINC000974686415 742001762 /nfs/dbraw/zinc/00/17/62/742001762.db2.gz NUCFQPOPJXCEQH-JKSUJKDBSA-N 1 2 344.463 0.239 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnnn2C)CC1(C)C ZINC000974686415 742001768 /nfs/dbraw/zinc/00/17/68/742001768.db2.gz NUCFQPOPJXCEQH-JKSUJKDBSA-N 1 2 344.463 0.239 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC34CCC4)C2)nn1 ZINC001105334393 742094556 /nfs/dbraw/zinc/09/45/56/742094556.db2.gz FOWIJFVWSFUDEH-MRXNPFEDSA-N 1 2 343.431 0.591 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001105335198 742125620 /nfs/dbraw/zinc/12/56/20/742125620.db2.gz UNQJANGPPJVHBI-NSHDSACASA-N 1 2 334.424 0.227 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCNC2=O)C(C)(C)C1 ZINC000974914853 742355316 /nfs/dbraw/zinc/35/53/16/742355316.db2.gz UOOWFQCKDOSZPR-MNOVXSKESA-N 1 2 344.253 0.858 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCNC2=O)C(C)(C)C1 ZINC000974914853 742355320 /nfs/dbraw/zinc/35/53/20/742355320.db2.gz UOOWFQCKDOSZPR-MNOVXSKESA-N 1 2 344.253 0.858 20 30 ECEDLO Cn1nnc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3C#N)CC2(C)C)n1 ZINC000974951200 742386397 /nfs/dbraw/zinc/38/63/97/742386397.db2.gz UEPPDODWYSBHEG-AWEZNQCLSA-N 1 2 339.403 0.722 20 30 ECEDLO Cn1nnc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3C#N)CC2(C)C)n1 ZINC000974951200 742386403 /nfs/dbraw/zinc/38/64/03/742386403.db2.gz UEPPDODWYSBHEG-AWEZNQCLSA-N 1 2 339.403 0.722 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CO[C@H]3CCC[C@@H](C)C3)C2)nn1 ZINC001105337199 742441041 /nfs/dbraw/zinc/44/10/41/742441041.db2.gz VSNHAEGUNBFSJD-PBHICJAKSA-N 1 2 345.447 0.980 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)c1 ZINC000975182900 742595564 /nfs/dbraw/zinc/59/55/64/742595564.db2.gz HTSFPTGVMCYCNO-ZDUSSCGKSA-N 1 2 340.387 0.751 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@]2(C)C[N@@H+]([C@@H](C)c3nnnn3C)C[C@]2(C)C1 ZINC000982237312 751747911 /nfs/dbraw/zinc/74/79/11/751747911.db2.gz ZJSUWHCEMVNYPD-KOZAUXTDSA-N 1 2 331.424 0.601 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@]2(C)C[N@H+]([C@@H](C)c3nnnn3C)C[C@]2(C)C1 ZINC000982237312 751747915 /nfs/dbraw/zinc/74/79/15/751747915.db2.gz ZJSUWHCEMVNYPD-KOZAUXTDSA-N 1 2 331.424 0.601 20 30 ECEDLO C#CCOc1ncccc1C(=O)NC[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC001028937803 742926267 /nfs/dbraw/zinc/92/62/67/742926267.db2.gz RYJBONYZPMUJPS-ZDUSSCGKSA-N 1 2 341.371 0.729 20 30 ECEDLO C#CCOc1ncccc1C(=O)NC[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001028937803 742926271 /nfs/dbraw/zinc/92/62/71/742926271.db2.gz RYJBONYZPMUJPS-ZDUSSCGKSA-N 1 2 341.371 0.729 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000988282592 751783961 /nfs/dbraw/zinc/78/39/61/751783961.db2.gz GCXUJUUMSWAWFU-AESZEHBQSA-N 1 2 346.431 0.970 20 30 ECEDLO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H](C)c1nc(CCCC)no1 ZINC001125998749 743165460 /nfs/dbraw/zinc/16/54/60/743165460.db2.gz USLQZIBPURPFNN-LBPRGKRZSA-N 1 2 335.408 0.319 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@@H]21 ZINC000975863804 743348105 /nfs/dbraw/zinc/34/81/05/743348105.db2.gz PBWDSFAMWSAICD-KKUMJFAQSA-N 1 2 343.431 0.962 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3oncc3C)CC2)C1=O ZINC000983552774 743432062 /nfs/dbraw/zinc/43/20/62/743432062.db2.gz AJBDAWHFXHIKDJ-AWEZNQCLSA-N 1 2 332.404 0.918 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3oncc3C)CC2)C1=O ZINC000983552774 743432069 /nfs/dbraw/zinc/43/20/69/743432069.db2.gz AJBDAWHFXHIKDJ-AWEZNQCLSA-N 1 2 332.404 0.918 20 30 ECEDLO C#CCOCCC(=O)NCC[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001059867055 751825662 /nfs/dbraw/zinc/82/56/62/751825662.db2.gz JAKBETCELPOECI-HNNXBMFYSA-N 1 2 332.404 0.278 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCC[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001059867912 751831555 /nfs/dbraw/zinc/83/15/55/751831555.db2.gz YUBDLGRLYQLGJL-YOEHRIQHSA-N 1 2 334.420 0.565 20 30 ECEDLO Cn1ncc(C[N@@H+]2C[C@@]3(C)CN(C(=O)C#CC4CC4)C[C@@]3(C)C2)n1 ZINC000982278658 751850653 /nfs/dbraw/zinc/85/06/53/751850653.db2.gz NEXPSSAZTBXHSD-HDICACEKSA-N 1 2 327.432 0.899 20 30 ECEDLO Cn1ncc(C[N@H+]2C[C@@]3(C)CN(C(=O)C#CC4CC4)C[C@@]3(C)C2)n1 ZINC000982278658 751850663 /nfs/dbraw/zinc/85/06/63/751850663.db2.gz NEXPSSAZTBXHSD-HDICACEKSA-N 1 2 327.432 0.899 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@@H]3CCOC3)C2)nn1 ZINC001098641664 751851607 /nfs/dbraw/zinc/85/16/07/751851607.db2.gz WHSNQPAKDUNRJM-HOCLYGCPSA-N 1 2 331.420 0.591 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2[C@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@H]32)c[nH]1 ZINC000976406547 743916721 /nfs/dbraw/zinc/91/67/21/743916721.db2.gz CXPMNRZDMRUNMO-FOLVSLTJSA-N 1 2 338.371 0.360 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](NCC#N)C1 ZINC000998299906 744107003 /nfs/dbraw/zinc/10/70/03/744107003.db2.gz DELDKFZTVZXUGT-NEPJUHHUSA-N 1 2 329.326 0.855 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001027392633 744139732 /nfs/dbraw/zinc/13/97/32/744139732.db2.gz SZRTXJHNDAOMKV-GHMZBOCLSA-N 1 2 346.225 0.926 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001027392633 744139735 /nfs/dbraw/zinc/13/97/35/744139735.db2.gz SZRTXJHNDAOMKV-GHMZBOCLSA-N 1 2 346.225 0.926 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001027411216 744220176 /nfs/dbraw/zinc/22/01/76/744220176.db2.gz BNTJCNPBJXXSOJ-LLVKDONJSA-N 1 2 343.229 0.505 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001027411216 744220179 /nfs/dbraw/zinc/22/01/79/744220179.db2.gz BNTJCNPBJXXSOJ-LLVKDONJSA-N 1 2 343.229 0.505 20 30 ECEDLO CN(C)c1noc(C[NH2+][C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000998849919 744370985 /nfs/dbraw/zinc/37/09/85/744370985.db2.gz QPLOVECGRSEJKK-GFCCVEGCSA-N 1 2 343.391 0.730 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2[nH]c[nH+]c2C)nc1 ZINC000976921816 744480799 /nfs/dbraw/zinc/48/07/99/744480799.db2.gz CVHUENRZKFJULQ-UOIKSKOESA-N 1 2 349.394 0.524 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3ncoc3C)C2)C1=O ZINC001006873167 751924883 /nfs/dbraw/zinc/92/48/83/751924883.db2.gz UPPLJPBNOALSCS-KBPBESRZSA-N 1 2 332.404 0.964 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3ncoc3C)C2)C1=O ZINC001006873167 751924887 /nfs/dbraw/zinc/92/48/87/751924887.db2.gz UPPLJPBNOALSCS-KBPBESRZSA-N 1 2 332.404 0.964 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2[C@H]3CN(C(=O)Cc4c[nH+]cn4C)C[C@H]32)C1 ZINC000977159661 744727727 /nfs/dbraw/zinc/72/77/27/744727727.db2.gz YERUJIVXOJHJES-FOLVSLTJSA-N 1 2 328.416 0.892 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnns3)C2)nn1 ZINC001098626058 744787916 /nfs/dbraw/zinc/78/79/16/744787916.db2.gz LGWXWZAUHMKVFD-GFCCVEGCSA-N 1 2 331.405 0.330 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnns3)C2)nn1 ZINC001098626060 744789123 /nfs/dbraw/zinc/78/91/23/744789123.db2.gz LGWXWZAUHMKVFD-LBPRGKRZSA-N 1 2 331.405 0.330 20 30 ECEDLO CN(CC#N)[C@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001027505777 744865788 /nfs/dbraw/zinc/86/57/88/744865788.db2.gz PYMLTELBEYTHQW-IRXDYDNUSA-N 1 2 334.464 0.934 20 30 ECEDLO CN(CC#N)[C@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001027505777 744865789 /nfs/dbraw/zinc/86/57/89/744865789.db2.gz PYMLTELBEYTHQW-IRXDYDNUSA-N 1 2 334.464 0.934 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3nnc[nH]3)C(C)(C)C2)C1=O ZINC000977354887 744891462 /nfs/dbraw/zinc/89/14/62/744891462.db2.gz JDAJDDQWFIERRS-VXGBXAGGSA-N 1 2 332.408 0.032 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3nnc[nH]3)C(C)(C)C2)C1=O ZINC000977354887 744891466 /nfs/dbraw/zinc/89/14/66/744891466.db2.gz JDAJDDQWFIERRS-VXGBXAGGSA-N 1 2 332.408 0.032 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)CNC(=O)C2CC2)C1 ZINC001149280004 744931191 /nfs/dbraw/zinc/93/11/91/744931191.db2.gz AAIXKKAOFKANHG-ZDUSSCGKSA-N 1 2 329.828 0.472 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)CNC(=O)C2CC2)C1 ZINC001149280004 744931192 /nfs/dbraw/zinc/93/11/92/744931192.db2.gz AAIXKKAOFKANHG-ZDUSSCGKSA-N 1 2 329.828 0.472 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3cncc(F)c3)C2)nn1 ZINC001105382872 745003508 /nfs/dbraw/zinc/00/35/08/745003508.db2.gz OASPQSMUJCRNQK-UHFFFAOYSA-N 1 2 342.378 0.551 20 30 ECEDLO Cc1nc(N(C)C)nc(N[C@H]2C[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)[nH+]1 ZINC001059186167 745048542 /nfs/dbraw/zinc/04/85/42/745048542.db2.gz CLGABEGAFRWUFC-HAQNSBGRSA-N 1 2 340.391 0.819 20 30 ECEDLO CN(C[C@H]1CCN1C(=O)Cc1c[nH+]c[nH]1)C(=O)c1cc(C#N)c[nH]1 ZINC000977528532 745149107 /nfs/dbraw/zinc/14/91/07/745149107.db2.gz LGDIAMKDAQGHMZ-CYBMUJFWSA-N 1 2 326.360 0.525 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001028261093 751976878 /nfs/dbraw/zinc/97/68/78/751976878.db2.gz TVMRKIQKNVQBMX-SNVBAGLBSA-N 1 2 336.783 0.364 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(=O)n2[nH]cnc2n1 ZINC001028261093 751976884 /nfs/dbraw/zinc/97/68/84/751976884.db2.gz TVMRKIQKNVQBMX-SNVBAGLBSA-N 1 2 336.783 0.364 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(C#N)c1 ZINC000977585171 745245718 /nfs/dbraw/zinc/24/57/18/745245718.db2.gz OCGPREHABDMLBB-AWEZNQCLSA-N 1 2 340.387 0.834 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccccc2O)[C@H](OC)C1 ZINC001211860387 745295375 /nfs/dbraw/zinc/29/53/75/745295375.db2.gz ZYHKIOCBJNDEIY-JGGQBBKZSA-N 1 2 347.415 0.512 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccccc2O)[C@H](OC)C1 ZINC001211860387 745295379 /nfs/dbraw/zinc/29/53/79/745295379.db2.gz ZYHKIOCBJNDEIY-JGGQBBKZSA-N 1 2 347.415 0.512 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cc[nH+]c2)c1 ZINC001000179370 745315941 /nfs/dbraw/zinc/31/59/41/745315941.db2.gz XYNMLQYQVQVSBU-IKGGRYGDSA-N 1 2 349.394 0.821 20 30 ECEDLO Cc1ncc(C[N@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)s1 ZINC001083413315 745486128 /nfs/dbraw/zinc/48/61/28/745486128.db2.gz IJHXGTNJDDBJBL-KGLIPLIRSA-N 1 2 331.401 0.626 20 30 ECEDLO Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)s1 ZINC001083413315 745486131 /nfs/dbraw/zinc/48/61/31/745486131.db2.gz IJHXGTNJDDBJBL-KGLIPLIRSA-N 1 2 331.401 0.626 20 30 ECEDLO CCc1noc(C)c1C[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001083414842 745543781 /nfs/dbraw/zinc/54/37/81/745543781.db2.gz YCBXKYDSMMZLRK-CVEARBPZSA-N 1 2 343.387 0.720 20 30 ECEDLO CCc1noc(C)c1C[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC001083414842 745543783 /nfs/dbraw/zinc/54/37/83/745543783.db2.gz YCBXKYDSMMZLRK-CVEARBPZSA-N 1 2 343.387 0.720 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001027567156 745565026 /nfs/dbraw/zinc/56/50/26/745565026.db2.gz RJBWYFILIIBXRJ-CYBMUJFWSA-N 1 2 333.436 0.888 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@H+](C)Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001027567156 745565028 /nfs/dbraw/zinc/56/50/28/745565028.db2.gz RJBWYFILIIBXRJ-CYBMUJFWSA-N 1 2 333.436 0.888 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnn(C)n2)C1 ZINC001020715572 752020125 /nfs/dbraw/zinc/02/01/25/752020125.db2.gz JWCLHXIDGVPPLU-ABHRYQDASA-N 1 2 334.424 0.318 20 30 ECEDLO Cn1ncc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)n1 ZINC000978027089 745827179 /nfs/dbraw/zinc/82/71/79/745827179.db2.gz GOTFZOCWVGCWEU-QKDCVEJESA-N 1 2 325.376 0.123 20 30 ECEDLO Cn1ncc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)n1 ZINC000978027089 745827183 /nfs/dbraw/zinc/82/71/83/745827183.db2.gz GOTFZOCWVGCWEU-QKDCVEJESA-N 1 2 325.376 0.123 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2C(=O)Cc2[nH]cc[nH+]2)nc1 ZINC000978104402 745902097 /nfs/dbraw/zinc/90/20/97/745902097.db2.gz HRRSONIXTLKHSE-CQSZACIVSA-N 1 2 337.383 0.702 20 30 ECEDLO Cn1nccc1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001083433112 752050346 /nfs/dbraw/zinc/05/03/46/752050346.db2.gz VZRJYYLXZXSHRH-SJORKVTESA-N 1 2 339.399 0.196 20 30 ECEDLO Cn1nccc1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001083433112 752050354 /nfs/dbraw/zinc/05/03/54/752050354.db2.gz VZRJYYLXZXSHRH-SJORKVTESA-N 1 2 339.399 0.196 20 30 ECEDLO N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)nn1 ZINC001059338958 746019471 /nfs/dbraw/zinc/01/94/71/746019471.db2.gz NIKKOGJNRWRXPF-MRVWCRGKSA-N 1 2 337.387 0.866 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nn3)[C@@H]2CC)c1 ZINC001087718698 746234556 /nfs/dbraw/zinc/23/45/56/746234556.db2.gz CYXQQWJPNUSPSQ-DLBZAZTESA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3cn(C)nn3)[C@@H]2CC)c1 ZINC001087718698 746234559 /nfs/dbraw/zinc/23/45/59/746234559.db2.gz CYXQQWJPNUSPSQ-DLBZAZTESA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)C[C@@H]2CCN2C(=O)Cc2c[nH+]c[nH]2)c1 ZINC000978362469 746243896 /nfs/dbraw/zinc/24/38/96/746243896.db2.gz RTLBYANTESAXOY-INIZCTEOSA-N 1 2 337.383 0.702 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000978430340 746314265 /nfs/dbraw/zinc/31/42/65/746314265.db2.gz HSADITPHZYGWOT-MJBXVCDLSA-N 1 2 332.404 0.603 20 30 ECEDLO CC#CC[NH2+][C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@H]1C(F)(F)F ZINC001112167877 746357013 /nfs/dbraw/zinc/35/70/13/746357013.db2.gz KFFOCRAGQXWZIG-VXGBXAGGSA-N 1 2 329.326 0.740 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CSCCC)[C@H](OC)C1 ZINC001211951686 752088693 /nfs/dbraw/zinc/08/86/93/752088693.db2.gz KYDYKPULDROEFZ-BFHYXJOUSA-N 1 2 343.493 0.636 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CSCCC)[C@H](OC)C1 ZINC001211951686 752088702 /nfs/dbraw/zinc/08/87/02/752088702.db2.gz KYDYKPULDROEFZ-BFHYXJOUSA-N 1 2 343.493 0.636 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@H](Nc2cnc(C#N)cn2)C1 ZINC001058942934 752104107 /nfs/dbraw/zinc/10/41/07/752104107.db2.gz SYPGKXJQWKIYTQ-LBPRGKRZSA-N 1 2 325.376 0.727 20 30 ECEDLO COCCN(CCNC(=O)CCc1c[nH]c[nH+]1)c1ccc(C#N)nc1 ZINC001126561108 746702116 /nfs/dbraw/zinc/70/21/16/746702116.db2.gz CCFIBRBQSKJFDE-UHFFFAOYSA-N 1 2 342.403 0.878 20 30 ECEDLO COCCN(CCNC(=O)CCc1c[nH+]c[nH]1)c1ccc(C#N)nc1 ZINC001126561108 746702121 /nfs/dbraw/zinc/70/21/21/746702121.db2.gz CCFIBRBQSKJFDE-UHFFFAOYSA-N 1 2 342.403 0.878 20 30 ECEDLO C=CCCCC(=O)N1CC[C@H](n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001098711465 746763556 /nfs/dbraw/zinc/76/35/56/746763556.db2.gz VFNSNMKKIRHOAO-OCCSQVGLSA-N 1 2 334.424 0.371 20 30 ECEDLO C=CCn1cc(C(=O)NCC2CN(C(=O)CCc3[nH]cc[nH+]3)C2)nn1 ZINC001001962115 746847099 /nfs/dbraw/zinc/84/70/99/746847099.db2.gz YRXVPSLGDYCOKM-UHFFFAOYSA-N 1 2 343.391 0.008 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000984790403 746939507 /nfs/dbraw/zinc/93/95/07/746939507.db2.gz REICJSNDYKUHQJ-LSDHHAIUSA-N 1 2 340.387 0.892 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3nc(CC)oc3C)C2)nn1 ZINC001105342494 747579997 /nfs/dbraw/zinc/57/99/97/747579997.db2.gz IAHABCVXBYCAOB-UHFFFAOYSA-N 1 2 328.376 0.557 20 30 ECEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2COCCN2C)CC1 ZINC001002641475 747605397 /nfs/dbraw/zinc/60/53/97/747605397.db2.gz HEGJCFNUDKZQSB-CYBMUJFWSA-N 1 2 346.269 0.806 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1)C(=O)c1c[nH]c(C#N)c1 ZINC001002888051 747922979 /nfs/dbraw/zinc/92/29/79/747922979.db2.gz GPJZXNYKDDXICL-AWEZNQCLSA-N 1 2 340.387 0.915 20 30 ECEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1COC(=O)N1 ZINC001007260998 752233195 /nfs/dbraw/zinc/23/31/95/752233195.db2.gz OXLURECBDMGHPE-CVEARBPZSA-N 1 2 345.374 0.866 20 30 ECEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)[C@@H]1COC(=O)N1 ZINC001007260998 752233196 /nfs/dbraw/zinc/23/31/96/752233196.db2.gz OXLURECBDMGHPE-CVEARBPZSA-N 1 2 345.374 0.866 20 30 ECEDLO Cn1ncnc1C[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001029691414 748080067 /nfs/dbraw/zinc/08/00/67/748080067.db2.gz PBONRTUAKHSFJH-LBPRGKRZSA-N 1 2 327.392 0.609 20 30 ECEDLO Cn1ncnc1C[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001029691414 748080070 /nfs/dbraw/zinc/08/00/70/748080070.db2.gz PBONRTUAKHSFJH-LBPRGKRZSA-N 1 2 327.392 0.609 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3[nH]c(C)nc3C)C2)nn1 ZINC001098728574 748550465 /nfs/dbraw/zinc/55/04/65/748550465.db2.gz RPCNDXXSEZYVIW-CQSZACIVSA-N 1 2 327.392 0.428 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3ccccc3)[C@@H](O)C2)C1=O ZINC001083314977 748633179 /nfs/dbraw/zinc/63/31/79/748633179.db2.gz HWRUPPYTJSESHV-OAGGEKHMSA-N 1 2 329.400 0.248 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3ccccc3)[C@@H](O)C2)C1=O ZINC001083314977 748633188 /nfs/dbraw/zinc/63/31/88/748633188.db2.gz HWRUPPYTJSESHV-OAGGEKHMSA-N 1 2 329.400 0.248 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001027859023 748787648 /nfs/dbraw/zinc/78/76/48/748787648.db2.gz JTQKWMQSWYJJLF-ZJUUUORDSA-N 1 2 332.198 0.584 20 30 ECEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COC(=O)N1 ZINC001027859023 748787656 /nfs/dbraw/zinc/78/76/56/748787656.db2.gz JTQKWMQSWYJJLF-ZJUUUORDSA-N 1 2 332.198 0.584 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001003780609 748886043 /nfs/dbraw/zinc/88/60/43/748886043.db2.gz ZPDANYYIJLIAFN-BBRMVZONSA-N 1 2 348.447 0.364 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001003780609 748886050 /nfs/dbraw/zinc/88/60/50/748886050.db2.gz ZPDANYYIJLIAFN-BBRMVZONSA-N 1 2 348.447 0.364 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnoc3CC)C2)nn1 ZINC001098739403 749328375 /nfs/dbraw/zinc/32/83/75/749328375.db2.gz GGRWDKZSOSYADR-CYBMUJFWSA-N 1 2 328.376 0.639 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H]1C ZINC001088461239 749474359 /nfs/dbraw/zinc/47/43/59/749474359.db2.gz YHSVRVWSTNGDGY-ZJUUUORDSA-N 1 2 329.202 0.161 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H]1C ZINC001088461239 749474360 /nfs/dbraw/zinc/47/43/60/749474360.db2.gz YHSVRVWSTNGDGY-ZJUUUORDSA-N 1 2 329.202 0.161 20 30 ECEDLO COCc1noc(C[NH2+][C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C)n1 ZINC000986134589 749606383 /nfs/dbraw/zinc/60/63/83/749606383.db2.gz ONDPZHDPAIVKLY-CMPLNLGQSA-N 1 2 344.375 0.809 20 30 ECEDLO CN1C(=O)CN(CC(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)C1=O ZINC001004596994 749668338 /nfs/dbraw/zinc/66/83/38/749668338.db2.gz PPWBUVXBVLJUBS-CQSZACIVSA-N 1 2 347.419 0.107 20 30 ECEDLO CN1C(=O)CN(CC(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)C1=O ZINC001004596994 749668340 /nfs/dbraw/zinc/66/83/40/749668340.db2.gz PPWBUVXBVLJUBS-CQSZACIVSA-N 1 2 347.419 0.107 20 30 ECEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2nccnc2C(N)=O)CC1 ZINC001004620598 749698636 /nfs/dbraw/zinc/69/86/36/749698636.db2.gz GLZCMFNMRFIVIH-ZDUSSCGKSA-N 1 2 342.403 0.416 20 30 ECEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2nccnc2C(N)=O)CC1 ZINC001004620598 749698644 /nfs/dbraw/zinc/69/86/44/749698644.db2.gz GLZCMFNMRFIVIH-ZDUSSCGKSA-N 1 2 342.403 0.416 20 30 ECEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001004633889 749712957 /nfs/dbraw/zinc/71/29/57/749712957.db2.gz KSCLOJRXJLOLLQ-ZIAGYGMSSA-N 1 2 332.404 0.266 20 30 ECEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001004633889 749712964 /nfs/dbraw/zinc/71/29/64/749712964.db2.gz KSCLOJRXJLOLLQ-ZIAGYGMSSA-N 1 2 332.404 0.266 20 30 ECEDLO C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001004684011 749753048 /nfs/dbraw/zinc/75/30/48/749753048.db2.gz LISZMNKFACGYTO-IUODEOHRSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001004989948 750108268 /nfs/dbraw/zinc/10/82/68/750108268.db2.gz KDCUSZBVYPVZHW-SWLSCSKDSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000980848712 750259220 /nfs/dbraw/zinc/25/92/20/750259220.db2.gz AMCOGKJAINEWSA-KGLIPLIRSA-N 1 2 327.450 0.505 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000980848712 750259223 /nfs/dbraw/zinc/25/92/23/750259223.db2.gz AMCOGKJAINEWSA-KGLIPLIRSA-N 1 2 327.450 0.505 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3ocnc3C)CC2)C1=O ZINC000980909234 750341318 /nfs/dbraw/zinc/34/13/18/750341318.db2.gz MZZINAPBYTVMAP-AWEZNQCLSA-N 1 2 332.404 0.918 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3ocnc3C)CC2)C1=O ZINC000980909234 750341327 /nfs/dbraw/zinc/34/13/27/750341327.db2.gz MZZINAPBYTVMAP-AWEZNQCLSA-N 1 2 332.404 0.918 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3C(C)C)C2)nn1 ZINC001105352259 750467357 /nfs/dbraw/zinc/46/73/57/750467357.db2.gz SNRDULMMMKJINL-DLBZAZTESA-N 1 2 345.447 0.693 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H](C)COC)C2)nn1 ZINC001105354150 750479734 /nfs/dbraw/zinc/47/97/34/750479734.db2.gz CDHVTRTZKJNPQN-AWEZNQCLSA-N 1 2 349.435 0.073 20 30 ECEDLO Cn1nnc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(F)c(C#N)c2)n1 ZINC001028078639 750546197 /nfs/dbraw/zinc/54/61/97/750546197.db2.gz OJGHQCMNXXIWPS-CYBMUJFWSA-N 1 2 343.366 0.615 20 30 ECEDLO Cn1nnc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(F)c(C#N)c2)n1 ZINC001028078639 750546199 /nfs/dbraw/zinc/54/61/99/750546199.db2.gz OJGHQCMNXXIWPS-CYBMUJFWSA-N 1 2 343.366 0.615 20 30 ECEDLO Cn1nnc(C(=O)NC[C@@H]2CCC[N@@H+]2CC#Cc2ccc(F)cc2)n1 ZINC001028078625 750546581 /nfs/dbraw/zinc/54/65/81/750546581.db2.gz NZYIPVQZKPHBDQ-HNNXBMFYSA-N 1 2 342.378 0.595 20 30 ECEDLO Cn1nnc(C(=O)NC[C@@H]2CCC[N@H+]2CC#Cc2ccc(F)cc2)n1 ZINC001028078625 750546586 /nfs/dbraw/zinc/54/65/86/750546586.db2.gz NZYIPVQZKPHBDQ-HNNXBMFYSA-N 1 2 342.378 0.595 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCC(N(C)C(=O)c3[nH]nnc3C)CC2)C1=O ZINC001005805630 750658159 /nfs/dbraw/zinc/65/81/59/750658159.db2.gz NLMNSLGPPXPUHH-CQSZACIVSA-N 1 2 346.435 0.436 20 30 ECEDLO CC#CC[N@@H+]1CCCN(C(=O)c2coc(S(N)(=O)=O)c2)CC1 ZINC000981474182 750729549 /nfs/dbraw/zinc/72/95/49/750729549.db2.gz PWQZAPIJXXSBKC-UHFFFAOYSA-N 1 2 325.390 0.098 20 30 ECEDLO CC#CC[N@H+]1CCCN(C(=O)c2coc(S(N)(=O)=O)c2)CC1 ZINC000981474182 750729554 /nfs/dbraw/zinc/72/95/54/750729554.db2.gz PWQZAPIJXXSBKC-UHFFFAOYSA-N 1 2 325.390 0.098 20 30 ECEDLO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001005926856 750809165 /nfs/dbraw/zinc/80/91/65/750809165.db2.gz NAMWPZSPPZQFEH-NSHDSACASA-N 1 2 340.387 0.819 20 30 ECEDLO CC#CC[N@@H+]1CCCN(C(=O)Cc2cc(=O)n(CC(C)C)[nH]2)CC1 ZINC000981566235 750818593 /nfs/dbraw/zinc/81/85/93/750818593.db2.gz QLTDROGHJOMRFU-UHFFFAOYSA-N 1 2 332.448 0.933 20 30 ECEDLO CC#CC[N@H+]1CCCN(C(=O)Cc2cc(=O)n(CC(C)C)[nH]2)CC1 ZINC000981566235 750818597 /nfs/dbraw/zinc/81/85/97/750818597.db2.gz QLTDROGHJOMRFU-UHFFFAOYSA-N 1 2 332.448 0.933 20 30 ECEDLO N#Cc1nccc(N[C@H]2C[C@@H](NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)n1 ZINC001059817813 751050483 /nfs/dbraw/zinc/05/04/83/751050483.db2.gz GYGPYFKJKDNYER-TUAOUCFPSA-N 1 2 337.387 0.672 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc4c([nH]3)CCCC4)C2)nn1 ZINC001105358352 751195613 /nfs/dbraw/zinc/19/56/13/751195613.db2.gz XQZNQZZYSSHMJO-UHFFFAOYSA-N 1 2 338.415 0.905 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1CC[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001059833485 751198527 /nfs/dbraw/zinc/19/85/27/751198527.db2.gz UZUPIJQTOBRGRW-KBPBESRZSA-N 1 2 334.420 0.898 20 30 ECEDLO CC#CC[N@@H+]1CCCC2(CN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000981878640 751238000 /nfs/dbraw/zinc/23/80/00/751238000.db2.gz TZWOQPHCLZHKIU-HNNXBMFYSA-N 1 2 338.473 0.759 20 30 ECEDLO CC#CC[N@H+]1CCCC2(CN(C(=O)C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000981878640 751238007 /nfs/dbraw/zinc/23/80/07/751238007.db2.gz TZWOQPHCLZHKIU-HNNXBMFYSA-N 1 2 338.473 0.759 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COCCN1C(C)=O ZINC001028327109 752388870 /nfs/dbraw/zinc/38/88/70/752388870.db2.gz SXNIGLPGHFRKRL-KGLIPLIRSA-N 1 2 329.828 0.567 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COCCN1C(C)=O ZINC001028327109 752388878 /nfs/dbraw/zinc/38/88/78/752388878.db2.gz SXNIGLPGHFRKRL-KGLIPLIRSA-N 1 2 329.828 0.567 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(Cl)cn3)C2)nn1 ZINC001105365528 752437823 /nfs/dbraw/zinc/43/78/23/752437823.db2.gz YQAIFJHEODXLMJ-UHFFFAOYSA-N 1 2 330.779 0.746 20 30 ECEDLO CO[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212045629 752439549 /nfs/dbraw/zinc/43/95/49/752439549.db2.gz SHKQDXMWWCHRHN-RAIGVLPGSA-N 1 2 338.433 0.193 20 30 ECEDLO CO[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@H]1NC(=O)[C@H](C)C#N ZINC001212045629 752439552 /nfs/dbraw/zinc/43/95/52/752439552.db2.gz SHKQDXMWWCHRHN-RAIGVLPGSA-N 1 2 338.433 0.193 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccccc3OC)C2)nn1 ZINC001105366457 752463458 /nfs/dbraw/zinc/46/34/58/752463458.db2.gz QMCCQFBSWANTQS-UHFFFAOYSA-N 1 2 325.372 0.707 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H](C)[C@H]3CCCO3)C2)nn1 ZINC001105368163 752468377 /nfs/dbraw/zinc/46/83/77/752468377.db2.gz QRCTYQANNUUMPJ-CZUORRHYSA-N 1 2 331.420 0.589 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cncc(C)c2)[C@H](OC)C1 ZINC001212070909 752471113 /nfs/dbraw/zinc/47/11/13/752471113.db2.gz BYINRJGCIFSVKG-NUEKZKHPSA-N 1 2 346.431 0.510 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cncc(C)c2)[C@H](OC)C1 ZINC001212070909 752471117 /nfs/dbraw/zinc/47/11/17/752471117.db2.gz BYINRJGCIFSVKG-NUEKZKHPSA-N 1 2 346.431 0.510 20 30 ECEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)CC(N)=O ZINC001212068974 752474974 /nfs/dbraw/zinc/47/49/74/752474974.db2.gz IXSHZTOZDURPJW-HUUCEWRRSA-N 1 2 349.818 0.382 20 30 ECEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)CC(N)=O ZINC001212068974 752474977 /nfs/dbraw/zinc/47/49/77/752474977.db2.gz IXSHZTOZDURPJW-HUUCEWRRSA-N 1 2 349.818 0.382 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)F)[C@H](OC)C1 ZINC001211759744 752640895 /nfs/dbraw/zinc/64/08/95/752640895.db2.gz VLQSLKDIVJIJIB-ZIAGYGMSSA-N 1 2 343.443 0.975 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)C(C)(C)F)[C@H](OC)C1 ZINC001211759744 752640900 /nfs/dbraw/zinc/64/09/00/752640900.db2.gz VLQSLKDIVJIJIB-ZIAGYGMSSA-N 1 2 343.443 0.975 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2cccs2)[C@H](OC)C1 ZINC001211764924 752676443 /nfs/dbraw/zinc/67/64/43/752676443.db2.gz VQUSFJISDJUBSO-NWANDNLSSA-N 1 2 349.456 0.244 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cccs2)[C@H](OC)C1 ZINC001211764924 752676449 /nfs/dbraw/zinc/67/64/49/752676449.db2.gz VQUSFJISDJUBSO-NWANDNLSSA-N 1 2 349.456 0.244 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000938037341 752706884 /nfs/dbraw/zinc/70/68/84/752706884.db2.gz SNXRNRBWYHSLLA-IMJJTQAJSA-N 1 2 346.431 0.661 20 30 ECEDLO C=CCOCCCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1OC ZINC001212092677 752713057 /nfs/dbraw/zinc/71/30/57/752713057.db2.gz MCFLNCVLLARWTG-RBSFLKMASA-N 1 2 339.436 0.015 20 30 ECEDLO C=CCOCCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1OC ZINC001212092677 752713060 /nfs/dbraw/zinc/71/30/60/752713060.db2.gz MCFLNCVLLARWTG-RBSFLKMASA-N 1 2 339.436 0.015 20 30 ECEDLO C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1OC ZINC001212092865 752713352 /nfs/dbraw/zinc/71/33/52/752713352.db2.gz UVSJNDVYNTWVDE-HUUCEWRRSA-N 1 2 339.436 0.063 20 30 ECEDLO C=CCOCCCC(=O)N[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1OC ZINC001212092865 752713359 /nfs/dbraw/zinc/71/33/59/752713359.db2.gz UVSJNDVYNTWVDE-HUUCEWRRSA-N 1 2 339.436 0.063 20 30 ECEDLO C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)CC)C[C@H]1OC ZINC001212092907 752713960 /nfs/dbraw/zinc/71/39/60/752713960.db2.gz WHMKRDYNQDRYDU-HUUCEWRRSA-N 1 2 341.452 0.263 20 30 ECEDLO C=CCOCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)CC)C[C@H]1OC ZINC001212092907 752713961 /nfs/dbraw/zinc/71/39/61/752713961.db2.gz WHMKRDYNQDRYDU-HUUCEWRRSA-N 1 2 341.452 0.263 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(C)=C2CCCC2)[C@H](OC)C1 ZINC001212098404 752721531 /nfs/dbraw/zinc/72/15/31/752721531.db2.gz ILVBUPHPOIIXJY-DJIMGWMZSA-N 1 2 347.459 0.830 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)=C2CCCC2)[C@H](OC)C1 ZINC001212098404 752721534 /nfs/dbraw/zinc/72/15/34/752721534.db2.gz ILVBUPHPOIIXJY-DJIMGWMZSA-N 1 2 347.459 0.830 20 30 ECEDLO C/C=C(/C)C(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)CCC#N)C[C@H]1OC ZINC001212094818 752722893 /nfs/dbraw/zinc/72/28/93/752722893.db2.gz HHZMFUGQEAJVOD-RZAHBXAWSA-N 1 2 336.436 0.530 20 30 ECEDLO C/C=C(/C)C(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)CCC#N)C[C@H]1OC ZINC001212094818 752722894 /nfs/dbraw/zinc/72/28/94/752722894.db2.gz HHZMFUGQEAJVOD-RZAHBXAWSA-N 1 2 336.436 0.530 20 30 ECEDLO C=C1CC(C)(C(=O)N2C[C@@H]3CCN(C(=O)[C@H]4C[N@H+](C)CCO4)[C@@H]3C2)C1 ZINC001021292971 752756770 /nfs/dbraw/zinc/75/67/70/752756770.db2.gz ACYGCBVOURDEFH-ARFHVFGLSA-N 1 2 347.459 0.733 20 30 ECEDLO C=C1CC(C)(C(=O)N2C[C@@H]3CCN(C(=O)[C@H]4C[N@@H+](C)CCO4)[C@@H]3C2)C1 ZINC001021292971 752756772 /nfs/dbraw/zinc/75/67/72/752756772.db2.gz ACYGCBVOURDEFH-ARFHVFGLSA-N 1 2 347.459 0.733 20 30 ECEDLO CCc1nnc(C[N@@H+]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1C ZINC001028470324 752771068 /nfs/dbraw/zinc/77/10/68/752771068.db2.gz HSSUDBIMVSANSC-GFCCVEGCSA-N 1 2 341.419 0.829 20 30 ECEDLO CCc1nnc(C[N@H+]2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1C ZINC001028470324 752771073 /nfs/dbraw/zinc/77/10/73/752771073.db2.gz HSSUDBIMVSANSC-GFCCVEGCSA-N 1 2 341.419 0.829 20 30 ECEDLO CC(C)n1nnnc1C[N@@H+]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001028490154 752829318 /nfs/dbraw/zinc/82/93/18/752829318.db2.gz IFENDFGYEQQSLW-GFCCVEGCSA-N 1 2 342.407 0.706 20 30 ECEDLO CC(C)n1nnnc1C[N@H+]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001028490154 752829325 /nfs/dbraw/zinc/82/93/25/752829325.db2.gz IFENDFGYEQQSLW-GFCCVEGCSA-N 1 2 342.407 0.706 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)C#N)C2)C1 ZINC001007714719 752851430 /nfs/dbraw/zinc/85/14/30/752851430.db2.gz YPSUMAOBROJGDR-SJKOYZFVSA-N 1 2 345.403 0.250 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC001051488727 762186860 /nfs/dbraw/zinc/18/68/60/762186860.db2.gz ROALUCBTMBYCNJ-NEPJUHHUSA-N 1 2 335.408 0.844 20 30 ECEDLO CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001008020328 753204473 /nfs/dbraw/zinc/20/44/73/753204473.db2.gz GNIHNIZQEWEEJY-AWEZNQCLSA-N 1 2 340.387 0.819 20 30 ECEDLO CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001008066603 753265993 /nfs/dbraw/zinc/26/59/93/753265993.db2.gz XUFSJMSBKBYYBU-AWEZNQCLSA-N 1 2 340.387 0.819 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC000991620414 762204414 /nfs/dbraw/zinc/20/44/14/762204414.db2.gz XXOPMQGPOCZJFZ-CABCVRRESA-N 1 2 348.447 0.643 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000938130035 753376388 /nfs/dbraw/zinc/37/63/88/753376388.db2.gz MQTJZDPXWJNPSG-ZDUSSCGKSA-N 1 2 327.388 0.971 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000982739928 753450369 /nfs/dbraw/zinc/45/03/69/753450369.db2.gz RGJGXVUBVUKFEI-HOTGVXAUSA-N 1 2 340.427 0.824 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)Cc3ccon3)[C@@H](O)C2)cc1F ZINC001083378252 753735713 /nfs/dbraw/zinc/73/57/13/753735713.db2.gz ICRZVNJZEXWWGZ-CVEARBPZSA-N 1 2 344.346 0.589 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)Cc3ccon3)[C@@H](O)C2)cc1F ZINC001083378252 753735717 /nfs/dbraw/zinc/73/57/17/753735717.db2.gz ICRZVNJZEXWWGZ-CVEARBPZSA-N 1 2 344.346 0.589 20 30 ECEDLO CN(CCN(C)c1nccnc1C#N)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001105493884 753738882 /nfs/dbraw/zinc/73/88/82/753738882.db2.gz POQADFKYRFXCHD-CYBMUJFWSA-N 1 2 339.403 0.702 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NC3CC3)C2)c1 ZINC001008467870 753770936 /nfs/dbraw/zinc/77/09/36/753770936.db2.gz HCKPCIUVBVIZDG-MRXNPFEDSA-N 1 2 326.400 0.536 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC3CC3)C2)c1 ZINC001008467870 753770943 /nfs/dbraw/zinc/77/09/43/753770943.db2.gz HCKPCIUVBVIZDG-MRXNPFEDSA-N 1 2 326.400 0.536 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)CCOC)C2)nn1 ZINC001105375452 753804058 /nfs/dbraw/zinc/80/40/58/753804058.db2.gz DFRQXWIFCOSQDB-AWEZNQCLSA-N 1 2 349.435 0.073 20 30 ECEDLO C=C1CCC(C(=O)N2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C[C@H]2C)CC1 ZINC000989408556 753842802 /nfs/dbraw/zinc/84/28/02/753842802.db2.gz VGSSKRDDAGTJRQ-OCCSQVGLSA-N 1 2 333.436 0.934 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC001008614478 753959159 /nfs/dbraw/zinc/95/91/59/753959159.db2.gz XSWNWIRRFQFLJW-HZSPNIEDSA-N 1 2 346.431 0.897 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)/C(C)=C\C)[C@H](OC)C1 ZINC001212107068 753989385 /nfs/dbraw/zinc/98/93/85/753989385.db2.gz NUCCTJLHJKDYOL-JMVFYIHGSA-N 1 2 335.448 0.969 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)/C(C)=C\C)[C@H](OC)C1 ZINC001212107068 753989388 /nfs/dbraw/zinc/98/93/88/753989388.db2.gz NUCCTJLHJKDYOL-JMVFYIHGSA-N 1 2 335.448 0.969 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3csnn3)C[C@H]2C)nn1 ZINC000989538020 754097133 /nfs/dbraw/zinc/09/71/33/754097133.db2.gz ZKWRXKAFJQNCQC-MNOVXSKESA-N 1 2 333.421 0.708 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccnn3C)C2)nn1 ZINC001008816460 754150226 /nfs/dbraw/zinc/15/02/26/754150226.db2.gz WWJPRDHYELYVDF-CQSZACIVSA-N 1 2 343.435 0.982 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccnn3C)C2)nn1 ZINC001008816460 754150227 /nfs/dbraw/zinc/15/02/27/754150227.db2.gz WWJPRDHYELYVDF-CQSZACIVSA-N 1 2 343.435 0.982 20 30 ECEDLO C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1)c1csnn1 ZINC001051561780 762343165 /nfs/dbraw/zinc/34/31/65/762343165.db2.gz COBDCFROVIMSHX-GXFFZTMASA-N 1 2 346.416 0.930 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+]([C@H](C)c3nnc(C)[nH]3)C2)nn1 ZINC001028850968 755308025 /nfs/dbraw/zinc/30/80/25/755308025.db2.gz CLPPILPJQKOSCP-YPMHNXCESA-N 1 2 344.423 0.704 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+]([C@H](C)c3nnc(C)[nH]3)C2)nn1 ZINC001028850968 755308032 /nfs/dbraw/zinc/30/80/32/755308032.db2.gz CLPPILPJQKOSCP-YPMHNXCESA-N 1 2 344.423 0.704 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3cn(C)nn3)C2)nn1 ZINC001028857454 755322656 /nfs/dbraw/zinc/32/26/56/755322656.db2.gz IINCVLIFARTLCY-CYBMUJFWSA-N 1 2 344.423 0.235 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3cn(C)nn3)C2)nn1 ZINC001028857454 755322660 /nfs/dbraw/zinc/32/26/60/755322660.db2.gz IINCVLIFARTLCY-CYBMUJFWSA-N 1 2 344.423 0.235 20 30 ECEDLO C#CCNC(=O)CC(=O)N1CCC[C@@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001098691379 755434051 /nfs/dbraw/zinc/43/40/51/755434051.db2.gz ZTYLKJVOYKBYNW-CQSZACIVSA-N 1 2 329.404 0.352 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000983369824 755437547 /nfs/dbraw/zinc/43/75/47/755437547.db2.gz PUIJIKCMIYGUMM-BMFZPTHFSA-N 1 2 346.431 0.898 20 30 ECEDLO COCC(=O)N(C)CC[NH+]1CCN(c2ccc(C#N)c(C)n2)CC1 ZINC001102414289 755627040 /nfs/dbraw/zinc/62/70/40/755627040.db2.gz VPFONZOJZOKYPU-UHFFFAOYSA-N 1 2 331.420 0.489 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnn(-c3cccnc3)c2)[C@@H](O)C1 ZINC001083522018 755879959 /nfs/dbraw/zinc/87/99/59/755879959.db2.gz PWEQGIGPXNPDDU-CVEARBPZSA-N 1 2 325.372 0.066 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3cccnc3)c2)[C@@H](O)C1 ZINC001083522018 755879962 /nfs/dbraw/zinc/87/99/62/755879962.db2.gz PWEQGIGPXNPDDU-CVEARBPZSA-N 1 2 325.372 0.066 20 30 ECEDLO C[C@H]1C[C@H](CNC(=O)c2ccc(C#N)[nH]2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001010281635 755935572 /nfs/dbraw/zinc/93/55/72/755935572.db2.gz VOTQTCQCHKJKLZ-NWDGAFQWSA-N 1 2 340.387 0.819 20 30 ECEDLO N#Cc1cc(C(=O)N2CC[C@@H](n3cc(C[NH2+]CCF)nn3)C2)c[nH]1 ZINC001098661172 756029006 /nfs/dbraw/zinc/02/90/06/756029006.db2.gz GDAQUFPJEQGEJG-CQSZACIVSA-N 1 2 331.355 0.624 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)[C@@H](O)C2)C1 ZINC000991648287 762438912 /nfs/dbraw/zinc/43/89/12/762438912.db2.gz RNUJJZDKTLTTRV-ZFWWWQNUSA-N 1 2 346.431 0.695 20 30 ECEDLO C[C@@H](C#N)C(=O)NCC[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001060101977 756136927 /nfs/dbraw/zinc/13/69/27/756136927.db2.gz LHZRNVIGXUCVEH-UONOGXRCSA-N 1 2 331.420 0.867 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001010651316 756352248 /nfs/dbraw/zinc/35/22/48/756352248.db2.gz LAEQLUBVFRTKJR-UHFFFAOYSA-N 1 2 340.427 0.827 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3coc(CC)n3)C2)C1=O ZINC001010700520 756416902 /nfs/dbraw/zinc/41/69/02/756416902.db2.gz NXPVYQFNMHDETJ-JSGCOSHPSA-N 1 2 332.404 0.828 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3coc(CC)n3)C2)C1=O ZINC001010700520 756416905 /nfs/dbraw/zinc/41/69/05/756416905.db2.gz NXPVYQFNMHDETJ-JSGCOSHPSA-N 1 2 332.404 0.828 20 30 ECEDLO Cn1nncc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010824428 756571827 /nfs/dbraw/zinc/57/18/27/756571827.db2.gz SYPMARKIIXQPNX-HNNXBMFYSA-N 1 2 327.363 0.810 20 30 ECEDLO Cn1nncc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010824428 756571832 /nfs/dbraw/zinc/57/18/32/756571832.db2.gz SYPMARKIIXQPNX-HNNXBMFYSA-N 1 2 327.363 0.810 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@]2(C)CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001010986027 756728350 /nfs/dbraw/zinc/72/83/50/756728350.db2.gz JWCQWIMILPHYFL-RRQGHBQHSA-N 1 2 329.404 0.740 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001076725481 756919539 /nfs/dbraw/zinc/91/95/39/756919539.db2.gz XEAZARBXPPPXNA-QRTARXTBSA-N 1 2 348.447 0.955 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)C#CC2CC2)CC1 ZINC001011110423 756940654 /nfs/dbraw/zinc/94/06/54/756940654.db2.gz YWPPZOSJKIMXQZ-HUUCEWRRSA-N 1 2 326.400 0.608 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)COC(C)C)nn2)C1 ZINC001107141267 756955381 /nfs/dbraw/zinc/95/53/81/756955381.db2.gz XTSGOCJGLKIRGT-UHFFFAOYSA-N 1 2 337.424 0.379 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3cscn3)nn2)C1 ZINC001107144415 757026969 /nfs/dbraw/zinc/02/69/69/757026969.db2.gz ONXRXEJAORICQI-UHFFFAOYSA-N 1 2 348.432 0.724 20 30 ECEDLO CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001076771456 757043384 /nfs/dbraw/zinc/04/33/84/757043384.db2.gz LEYQONLJSWCSHW-YJBOKZPZSA-N 1 2 349.475 0.768 20 30 ECEDLO C[C@@H](C#N)C(=O)NCc1cn(C2C[NH+](C[C@@H]3CCCCO3)C2)nn1 ZINC001107149838 757052488 /nfs/dbraw/zinc/05/24/88/757052488.db2.gz SBNOICULPOFBHV-WFASDCNBSA-N 1 2 332.408 0.480 20 30 ECEDLO Cc1cc(NC(=O)C[N@H+]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)no1 ZINC001048810171 757068713 /nfs/dbraw/zinc/06/87/13/757068713.db2.gz GVCIPCARYDSSHC-GASCZTMLSA-N 1 2 342.399 0.725 20 30 ECEDLO Cc1cc(NC(=O)C[N@@H+]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)no1 ZINC001048810171 757068720 /nfs/dbraw/zinc/06/87/20/757068720.db2.gz GVCIPCARYDSSHC-GASCZTMLSA-N 1 2 342.399 0.725 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CC3CCOCC3)nn2)C1 ZINC001107149388 757086086 /nfs/dbraw/zinc/08/60/86/757086086.db2.gz DMZGSXMSLFVLNB-UHFFFAOYSA-N 1 2 331.420 0.591 20 30 ECEDLO CN(C(=O)C#CC(C)(C)C)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC001048832898 757138431 /nfs/dbraw/zinc/13/84/31/757138431.db2.gz XVVPIQXIAVKROZ-STQMWFEESA-N 1 2 332.404 0.032 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CC3(COC)CC3)nn2)C1 ZINC001107171372 757218754 /nfs/dbraw/zinc/21/87/54/757218754.db2.gz VQONEMIPOPJCJI-UHFFFAOYSA-N 1 2 331.420 0.591 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CO[C@@H]3CCOC3)nn2)C1 ZINC001107172757 757224275 /nfs/dbraw/zinc/22/42/75/757224275.db2.gz KOTBOYLAYUSQIS-OAHLLOKOSA-N 1 2 335.408 0.133 20 30 ECEDLO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001048866708 757230007 /nfs/dbraw/zinc/23/00/07/757230007.db2.gz WIQOXRLRRNIYDY-ILXRZTDVSA-N 1 2 334.420 0.831 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[C@@H]3CCN(C)C3=O)nn2)C1 ZINC001107180398 757301093 /nfs/dbraw/zinc/30/10/93/757301093.db2.gz PSWHMBNPDLYFNL-ZDUSSCGKSA-N 1 2 346.435 0.196 20 30 ECEDLO Cc1cc(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)[nH]n1 ZINC001076870073 757423269 /nfs/dbraw/zinc/42/32/69/757423269.db2.gz IFXYLQXGVYLSOE-HUUCEWRRSA-N 1 2 345.428 0.555 20 30 ECEDLO Cc1cc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)[nH]n1 ZINC001076870073 757423278 /nfs/dbraw/zinc/42/32/78/757423278.db2.gz IFXYLQXGVYLSOE-HUUCEWRRSA-N 1 2 345.428 0.555 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](OCC)[C@H]3CCOC3)nn2)C1 ZINC001107189583 757425860 /nfs/dbraw/zinc/42/58/60/757425860.db2.gz CXKDFEXDVAAECS-XJKSGUPXSA-N 1 2 349.435 0.379 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001076972391 757806282 /nfs/dbraw/zinc/80/62/82/757806282.db2.gz BXVOECSCXPNBNJ-ZIAGYGMSSA-N 1 2 341.371 0.265 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001076972391 757806299 /nfs/dbraw/zinc/80/62/99/757806299.db2.gz BXVOECSCXPNBNJ-ZIAGYGMSSA-N 1 2 341.371 0.265 20 30 ECEDLO CN(CC(F)(F)F)C(=O)C[NH2+]CCNC(=O)C(F)C(F)(F)F ZINC001127737530 757851945 /nfs/dbraw/zinc/85/19/45/757851945.db2.gz QLLCBXOKHIZEHD-ZETCQYMHSA-N 1 2 341.227 0.613 20 30 ECEDLO CN(CC(F)(F)F)C(=O)C[NH2+]CCNC(=O)[C@H](F)C(F)(F)F ZINC001127737530 757851957 /nfs/dbraw/zinc/85/19/57/757851957.db2.gz QLLCBXOKHIZEHD-ZETCQYMHSA-N 1 2 341.227 0.613 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)COc3cccnc3)nn2)C1 ZINC001107221278 757858904 /nfs/dbraw/zinc/85/89/04/757858904.db2.gz QTWLRBFHLLACNX-UHFFFAOYSA-N 1 2 342.403 0.801 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C3(CC)CCOCC3)nn2)C1 ZINC001107225839 757879794 /nfs/dbraw/zinc/87/97/94/757879794.db2.gz HIUCKCIZLCQTNW-UHFFFAOYSA-N 1 2 345.447 0.981 20 30 ECEDLO N#CCN1C[C@@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@@H]2C1 ZINC001049092791 757943096 /nfs/dbraw/zinc/94/30/96/757943096.db2.gz MIWOMRDCQVUGQU-IYBDPMFKSA-N 1 2 332.448 0.545 20 30 ECEDLO CC#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001049111855 757989256 /nfs/dbraw/zinc/98/92/56/757989256.db2.gz VDIBLBMYOSBELR-HOTGVXAUSA-N 1 2 346.431 0.186 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cn3cccn3)o2)C1 ZINC001077035637 758014758 /nfs/dbraw/zinc/01/47/58/758014758.db2.gz HGHQBOCTSKZMBH-HUUCEWRRSA-N 1 2 328.372 0.323 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(Cn3cccn3)o2)C1 ZINC001077035637 758014767 /nfs/dbraw/zinc/01/47/67/758014767.db2.gz HGHQBOCTSKZMBH-HUUCEWRRSA-N 1 2 328.372 0.323 20 30 ECEDLO CC#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001049152412 758141465 /nfs/dbraw/zinc/14/14/65/758141465.db2.gz CPIJPURWJAHYPN-HOTGVXAUSA-N 1 2 346.431 0.484 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001011623056 758155354 /nfs/dbraw/zinc/15/53/54/758155354.db2.gz UNWXIAIWCPDJDG-HOCLYGCPSA-N 1 2 348.447 0.318 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001011623056 758155355 /nfs/dbraw/zinc/15/53/55/758155355.db2.gz UNWXIAIWCPDJDG-HOCLYGCPSA-N 1 2 348.447 0.318 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)c1 ZINC001022037115 758192327 /nfs/dbraw/zinc/19/23/27/758192327.db2.gz ZAFZTKXOHROUMZ-DOTOQJQBSA-N 1 2 349.394 0.633 20 30 ECEDLO N#Cc1cnc(NC/C=C\CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)cn1 ZINC001107390437 758417620 /nfs/dbraw/zinc/41/76/20/758417620.db2.gz VCTQRXKQODTZIP-UIIMQBOASA-N 1 2 337.387 0.892 20 30 ECEDLO N#Cc1cnc(NC/C=C/CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)cn1 ZINC001107390438 758417941 /nfs/dbraw/zinc/41/79/41/758417941.db2.gz VCTQRXKQODTZIP-ZIYVKSGCSA-N 1 2 337.387 0.892 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)Cn2cc[nH+]c2)cn1 ZINC001077183756 758440016 /nfs/dbraw/zinc/44/00/16/758440016.db2.gz YTBFHDVXTRGSSD-ZDUSSCGKSA-N 1 2 325.372 0.584 20 30 ECEDLO N#Cc1cnccc1NC/C=C/CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001107393183 758449063 /nfs/dbraw/zinc/44/90/63/758449063.db2.gz ALZKBIQSZOOINH-VSZDKKFSSA-N 1 2 336.399 0.919 20 30 ECEDLO N#Cc1cnccc1NC/C=C\CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001107393182 758449165 /nfs/dbraw/zinc/44/91/65/758449165.db2.gz ALZKBIQSZOOINH-DDGIKZQJSA-N 1 2 336.399 0.919 20 30 ECEDLO N#Cc1cncc(NC/C=C\CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)n1 ZINC001107394809 758452492 /nfs/dbraw/zinc/45/24/92/758452492.db2.gz PPYWLEFLLBNWAV-UIIMQBOASA-N 1 2 337.387 0.892 20 30 ECEDLO N#Cc1nccnc1NC/C=C/CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001107395375 758454349 /nfs/dbraw/zinc/45/43/49/758454349.db2.gz YQNFXDFPWPBPNL-AORQRIRUSA-N 1 2 337.387 0.892 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncn(-c3ccccc3)n2)C1 ZINC001077195903 758483241 /nfs/dbraw/zinc/48/32/41/758483241.db2.gz UTJNLMAESXHUOF-HUUCEWRRSA-N 1 2 325.372 0.066 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncn(-c3ccccc3)n2)C1 ZINC001077195903 758483244 /nfs/dbraw/zinc/48/32/44/758483244.db2.gz UTJNLMAESXHUOF-HUUCEWRRSA-N 1 2 325.372 0.066 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2-n2ccnn2)C1 ZINC001077195835 758483829 /nfs/dbraw/zinc/48/38/29/758483829.db2.gz QTUXJKUAJKVRAF-DGCLKSJQSA-N 1 2 331.401 0.127 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2-n2ccnn2)C1 ZINC001077195835 758483835 /nfs/dbraw/zinc/48/38/35/758483835.db2.gz QTUXJKUAJKVRAF-DGCLKSJQSA-N 1 2 331.401 0.127 20 30 ECEDLO N#Cc1cncc(N2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)n1 ZINC001049416944 758656154 /nfs/dbraw/zinc/65/61/54/758656154.db2.gz XZIHJIURPUWGTC-KGLIPLIRSA-N 1 2 337.387 0.530 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001022391513 758659033 /nfs/dbraw/zinc/65/90/33/758659033.db2.gz XUHABCNLZUFOGU-VNHYZAJKSA-N 1 2 329.404 0.572 20 30 ECEDLO Cn1ncc(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)c2ccc(C#N)[nH]2)n1 ZINC001049424253 758668099 /nfs/dbraw/zinc/66/80/99/758668099.db2.gz BGJNFLHZRBFVJM-JKSUJKDBSA-N 1 2 339.403 0.894 20 30 ECEDLO Cn1ncc(C[N@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)c2ccc(C#N)[nH]2)n1 ZINC001049424253 758668105 /nfs/dbraw/zinc/66/81/05/758668105.db2.gz BGJNFLHZRBFVJM-JKSUJKDBSA-N 1 2 339.403 0.894 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001011829344 758685216 /nfs/dbraw/zinc/68/52/16/758685216.db2.gz FHTSZPANUQAQSG-SMDDNHRTSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001011829344 758685219 /nfs/dbraw/zinc/68/52/19/758685219.db2.gz FHTSZPANUQAQSG-SMDDNHRTSA-N 1 2 340.387 0.961 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1O ZINC001049449989 758722694 /nfs/dbraw/zinc/72/26/94/758722694.db2.gz OPQNSFKKXYAATI-MPGHIAIKSA-N 1 2 348.447 0.906 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)c1 ZINC001011850240 758757759 /nfs/dbraw/zinc/75/77/59/758757759.db2.gz YQKNAOMNGVEOCX-UHFFFAOYSA-N 1 2 337.383 0.622 20 30 ECEDLO N#Cc1nccc(N2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]3C2)n1 ZINC001049465630 758759980 /nfs/dbraw/zinc/75/99/80/758759980.db2.gz ZUTXPQDOENALLD-OLZOCXBDSA-N 1 2 337.387 0.599 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)c1 ZINC001022634613 758973929 /nfs/dbraw/zinc/97/39/29/758973929.db2.gz ABSJJRLDEAGXCB-GOEBONIOSA-N 1 2 349.394 0.702 20 30 ECEDLO C#CCCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001049638131 759038808 /nfs/dbraw/zinc/03/88/08/759038808.db2.gz HOWFUNCUWRFGBI-HOTGVXAUSA-N 1 2 346.431 0.566 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1cn(C)nn1 ZINC001049734534 759146962 /nfs/dbraw/zinc/14/69/62/759146962.db2.gz FCYIHNKEVPSWOU-QZWWFDLISA-N 1 2 345.447 0.972 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1cn(C)nn1 ZINC001049734534 759146965 /nfs/dbraw/zinc/14/69/65/759146965.db2.gz FCYIHNKEVPSWOU-QZWWFDLISA-N 1 2 345.447 0.972 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](OC)C1 ZINC001212131774 759215240 /nfs/dbraw/zinc/21/52/40/759215240.db2.gz UDHXZRKTYMKHRT-NILFDRSVSA-N 1 2 345.403 0.006 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](OC)C1 ZINC001212131774 759215246 /nfs/dbraw/zinc/21/52/46/759215246.db2.gz UDHXZRKTYMKHRT-NILFDRSVSA-N 1 2 345.403 0.006 20 30 ECEDLO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001049791865 759215353 /nfs/dbraw/zinc/21/53/53/759215353.db2.gz CIZBEXZWLQSYMS-KGLIPLIRSA-N 1 2 342.403 0.323 20 30 ECEDLO C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001049791865 759215358 /nfs/dbraw/zinc/21/53/58/759215358.db2.gz CIZBEXZWLQSYMS-KGLIPLIRSA-N 1 2 342.403 0.323 20 30 ECEDLO Cc1nc[nH]c1C(=O)N(C)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047652746 759414656 /nfs/dbraw/zinc/41/46/56/759414656.db2.gz ZWVDXTKPLMFLIW-IRXDYDNUSA-N 1 2 338.411 0.887 20 30 ECEDLO Cc1nc[nH]c1C(=O)N(C)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047652746 759414663 /nfs/dbraw/zinc/41/46/63/759414663.db2.gz ZWVDXTKPLMFLIW-IRXDYDNUSA-N 1 2 338.411 0.887 20 30 ECEDLO C#CCOCCC(=O)NCC[NH2+]Cc1nnc(Cc2ccccc2)o1 ZINC001127023214 759506484 /nfs/dbraw/zinc/50/64/84/759506484.db2.gz DRUOHRYFCRDVBB-UHFFFAOYSA-N 1 2 342.399 0.906 20 30 ECEDLO C#CCNC(=O)CC(=O)N1CCC(OC2C[NH+](CC(=C)C)C2)CC1 ZINC001105703749 759513207 /nfs/dbraw/zinc/51/32/07/759513207.db2.gz HYTCOUOCRLWMEE-UHFFFAOYSA-N 1 2 333.432 0.394 20 30 ECEDLO C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3COCCN3CC)cc2C1 ZINC001054271519 767886180 /nfs/dbraw/zinc/88/61/80/767886180.db2.gz QGGYQSMUAHCVAF-SFHVURJKSA-N 1 2 327.428 0.972 20 30 ECEDLO C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3COCCN3CC)cc2C1 ZINC001054271519 767886187 /nfs/dbraw/zinc/88/61/87/767886187.db2.gz QGGYQSMUAHCVAF-SFHVURJKSA-N 1 2 327.428 0.972 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2cc(=O)n3[nH]ccc3n2)C(C)(C)C1 ZINC000995584097 759835757 /nfs/dbraw/zinc/83/57/57/759835757.db2.gz SHCXRDUYSVRYGQ-DGCLKSJQSA-N 1 2 342.403 0.509 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001012490954 760077759 /nfs/dbraw/zinc/07/77/59/760077759.db2.gz XELZNDCOGABMBH-ZWNOBZJWSA-N 1 2 340.387 0.880 20 30 ECEDLO CCc1nc(C#N)cc(N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)n1 ZINC001050388608 760216495 /nfs/dbraw/zinc/21/64/95/760216495.db2.gz JWPZIBMDHKOOFS-OCCSQVGLSA-N 1 2 339.403 0.891 20 30 ECEDLO C[C@@H]([NH2+]Cc1cn([C@H]2CCN(C(=O)C#CC(C)(C)C)C2)nn1)C(N)=O ZINC001098673466 760392499 /nfs/dbraw/zinc/39/24/99/760392499.db2.gz QQJUAYFPCHHBAM-OCCSQVGLSA-N 1 2 346.435 0.064 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[NH2+]Cc1noc(-c2ccccc2)n1 ZINC001127052484 760498999 /nfs/dbraw/zinc/49/89/99/760498999.db2.gz YPRHMVFKSUWAPZ-ZDUSSCGKSA-N 1 2 328.372 0.981 20 30 ECEDLO C=CCCC(=O)N(C)[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1O ZINC001048527151 760664214 /nfs/dbraw/zinc/66/42/14/760664214.db2.gz FPZHBZHQFHJDPK-KBPBESRZSA-N 1 2 334.420 0.349 20 30 ECEDLO C=CCCC(=O)N(C)[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1O ZINC001048528172 760666202 /nfs/dbraw/zinc/66/62/02/760666202.db2.gz WFGKAJDOCVATNU-GJZGRUSLSA-N 1 2 334.420 0.349 20 30 ECEDLO C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@@H]1O ZINC001048528067 760666220 /nfs/dbraw/zinc/66/62/20/760666220.db2.gz VHYGKMQJPZQHCK-SNPRPXQTSA-N 1 2 346.431 0.826 20 30 ECEDLO C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1O ZINC001048530341 760668200 /nfs/dbraw/zinc/66/82/00/760668200.db2.gz CYWZUFLXFQZIEX-ILXRZTDVSA-N 1 2 346.431 0.442 20 30 ECEDLO C=CCCC(=O)N(C)[C@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@@H]1O ZINC001048530717 760668986 /nfs/dbraw/zinc/66/89/86/760668986.db2.gz LHCRCSWMYVGKRV-KKUMJFAQSA-N 1 2 334.420 0.831 20 30 ECEDLO C=CCCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@@H]1O ZINC001048530882 760669463 /nfs/dbraw/zinc/66/94/63/760669463.db2.gz OBLGGBJFGCPXQS-KKUMJFAQSA-N 1 2 346.431 0.442 20 30 ECEDLO C=CC[NH+]1CCC2(CN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)C2)CC1 ZINC001050699974 760690546 /nfs/dbraw/zinc/69/05/46/760690546.db2.gz BESYHJPDSGHSAG-UHFFFAOYSA-N 1 2 342.403 0.182 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001050730461 760745714 /nfs/dbraw/zinc/74/57/14/760745714.db2.gz WXWIYQXAZJFJLY-UKRRQHHQSA-N 1 2 346.431 0.654 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H]([C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001050730462 760746030 /nfs/dbraw/zinc/74/60/30/760746030.db2.gz WXWIYQXAZJFJLY-ZFWWWQNUSA-N 1 2 346.431 0.654 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H](C)N(C(=O)Cn3cc[nH+]c3)C2)c1 ZINC001013050029 761011769 /nfs/dbraw/zinc/01/17/69/761011769.db2.gz OUAVGXUWPFLXME-BBRMVZONSA-N 1 2 337.383 0.679 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1c1ccnc(C#N)n1 ZINC001048732027 761064038 /nfs/dbraw/zinc/06/40/38/761064038.db2.gz UMODEBPMMRICAZ-QWHCGFSZSA-N 1 2 325.376 0.718 20 30 ECEDLO C#CCCCC(=O)N(C)[C@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@@H]1O ZINC001048754218 761116917 /nfs/dbraw/zinc/11/69/17/761116917.db2.gz NGNFVGZZANDOQU-PMPSAXMXSA-N 1 2 346.431 0.668 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1nn2c(c1C)OCCC2 ZINC001050947441 761193431 /nfs/dbraw/zinc/19/34/31/761193431.db2.gz WLIZGOLEMWBVFD-CQSZACIVSA-N 1 2 334.420 0.981 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1nn2c(c1C)OCCC2 ZINC001050947441 761193434 /nfs/dbraw/zinc/19/34/34/761193434.db2.gz WLIZGOLEMWBVFD-CQSZACIVSA-N 1 2 334.420 0.981 20 30 ECEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)CCS(C)(=O)=O)CC2)C1 ZINC001105714301 761253641 /nfs/dbraw/zinc/25/36/41/761253641.db2.gz SMOVDXWZMWGVFC-UHFFFAOYSA-N 1 2 344.477 0.689 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC(OC2C[NH+](CCOCCO)C2)CC1 ZINC001105720038 761319414 /nfs/dbraw/zinc/31/94/14/761319414.db2.gz UJLPQVKULVBLQJ-UHFFFAOYSA-N 1 2 340.464 0.899 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1COCCN1CC(F)F ZINC001051046953 761390398 /nfs/dbraw/zinc/39/03/98/761390398.db2.gz YOTJGFYPTFZVNU-KBPBESRZSA-N 1 2 347.406 0.345 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1COCCN1CC(F)F ZINC001051046953 761390408 /nfs/dbraw/zinc/39/04/08/761390408.db2.gz YOTJGFYPTFZVNU-KBPBESRZSA-N 1 2 347.406 0.345 20 30 ECEDLO C#CCOCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001051061771 761420486 /nfs/dbraw/zinc/42/04/86/761420486.db2.gz VKTRRRNBCOBYMZ-CABCVRRESA-N 1 2 332.404 0.276 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnc2c(c1)ncn2C ZINC001051062379 761421523 /nfs/dbraw/zinc/42/15/23/761421523.db2.gz TYKRRAOIHFSDSG-AWEZNQCLSA-N 1 2 329.404 0.975 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnc2c(c1)ncn2C ZINC001051062379 761421525 /nfs/dbraw/zinc/42/15/25/761421525.db2.gz TYKRRAOIHFSDSG-AWEZNQCLSA-N 1 2 329.404 0.975 20 30 ECEDLO CC#CCN1CCOC[C@H]1CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001051075045 761442176 /nfs/dbraw/zinc/44/21/76/761442176.db2.gz GWYYFOKRGDSACG-QZTJIDSGSA-N 1 2 349.475 0.470 20 30 ECEDLO CC#CCN1CCOC[C@H]1CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001051075045 761442183 /nfs/dbraw/zinc/44/21/83/761442183.db2.gz GWYYFOKRGDSACG-QZTJIDSGSA-N 1 2 349.475 0.470 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@H]2C)cn1 ZINC001013471750 761459908 /nfs/dbraw/zinc/45/99/08/761459908.db2.gz WGQPOUOWOSVORX-MLGOLLRUSA-N 1 2 337.383 0.748 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@@H]2C)cn1 ZINC001013471747 761460369 /nfs/dbraw/zinc/46/03/69/761460369.db2.gz WGQPOUOWOSVORX-LRDDRELGSA-N 1 2 337.383 0.748 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1COCCN1Cc1c[nH+]cn1C ZINC001051115325 761516189 /nfs/dbraw/zinc/51/61/89/761516189.db2.gz VALXFSPFKSLCLX-OAGGEKHMSA-N 1 2 334.420 0.328 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1c(C)c[nH]c1CC(N)=O ZINC001051126642 761527856 /nfs/dbraw/zinc/52/78/56/761527856.db2.gz HNAKRFYJLZSRKS-ZDUSSCGKSA-N 1 2 334.420 0.358 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1c(C)c[nH]c1CC(N)=O ZINC001051126642 761527859 /nfs/dbraw/zinc/52/78/59/761527859.db2.gz HNAKRFYJLZSRKS-ZDUSSCGKSA-N 1 2 334.420 0.358 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(CNC(C)=O)o1 ZINC001051169063 761599942 /nfs/dbraw/zinc/59/99/42/761599942.db2.gz QGVXNUYIJQRQPT-CQSZACIVSA-N 1 2 335.404 0.922 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(CNC(C)=O)o1 ZINC001051169063 761599947 /nfs/dbraw/zinc/59/99/47/761599947.db2.gz QGVXNUYIJQRQPT-CQSZACIVSA-N 1 2 335.404 0.922 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCN1c1nccnc1C#N ZINC001051172269 761608416 /nfs/dbraw/zinc/60/84/16/761608416.db2.gz YDYDFJXQDSOOFG-LPWJVIDDSA-N 1 2 337.387 0.958 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCN1c1nccnc1C#N ZINC001051172269 761608422 /nfs/dbraw/zinc/60/84/22/761608422.db2.gz YDYDFJXQDSOOFG-LPWJVIDDSA-N 1 2 337.387 0.958 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn([C@H]2CCOC2)nn1 ZINC001051203281 761680801 /nfs/dbraw/zinc/68/08/01/761680801.db2.gz PRWMMIFLXIPKMY-GJZGRUSLSA-N 1 2 349.435 0.636 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn([C@H]2CCOC2)nn1 ZINC001051203281 761680804 /nfs/dbraw/zinc/68/08/04/761680804.db2.gz PRWMMIFLXIPKMY-GJZGRUSLSA-N 1 2 349.435 0.636 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1nc2nc(C)cc(C)n2n1 ZINC001051236697 761735068 /nfs/dbraw/zinc/73/50/68/761735068.db2.gz XVQCOJQPTZUNRD-CQSZACIVSA-N 1 2 344.419 0.748 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1nc2nc(C)cc(C)n2n1 ZINC001051236697 761735071 /nfs/dbraw/zinc/73/50/71/761735071.db2.gz XVQCOJQPTZUNRD-CQSZACIVSA-N 1 2 344.419 0.748 20 30 ECEDLO Cc1cc(N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](O)C2)c(C#N)cn1 ZINC001051717960 762787434 /nfs/dbraw/zinc/78/74/34/762787434.db2.gz LHGYVWMAJSUGOQ-HIFRSBDPSA-N 1 2 340.387 0.283 20 30 ECEDLO Cc1nn[nH]c1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001051751098 762874457 /nfs/dbraw/zinc/87/44/57/762874457.db2.gz UMNAMSHQSSGDEJ-HNNXBMFYSA-N 1 2 340.387 0.616 20 30 ECEDLO CN1C[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CC1=O ZINC001014619685 762915082 /nfs/dbraw/zinc/91/50/82/762915082.db2.gz VOQWCGIPGNBXRK-HUUCEWRRSA-N 1 2 344.390 0.866 20 30 ECEDLO CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CC1=O ZINC001014619685 762915087 /nfs/dbraw/zinc/91/50/87/762915087.db2.gz VOQWCGIPGNBXRK-HUUCEWRRSA-N 1 2 344.390 0.866 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCO[C@H](C[NH2+]Cc3nnc(C)o3)C2)c1 ZINC001051817136 763032245 /nfs/dbraw/zinc/03/22/45/763032245.db2.gz NYLAETUNZFKDOY-OAHLLOKOSA-N 1 2 341.371 0.385 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001017549213 768104547 /nfs/dbraw/zinc/10/45/47/768104547.db2.gz FVYDKTZYJCPTKT-KFWWJZLASA-N 1 2 341.415 0.461 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001017549213 768104551 /nfs/dbraw/zinc/10/45/51/768104551.db2.gz FVYDKTZYJCPTKT-KFWWJZLASA-N 1 2 341.415 0.461 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001046778555 763112464 /nfs/dbraw/zinc/11/24/64/763112464.db2.gz HQSNXCDTTAGYTE-GWCFXTLKSA-N 1 2 330.226 0.754 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001046778555 763112469 /nfs/dbraw/zinc/11/24/69/763112469.db2.gz HQSNXCDTTAGYTE-GWCFXTLKSA-N 1 2 330.226 0.754 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@H](O)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001105971399 763118303 /nfs/dbraw/zinc/11/83/03/763118303.db2.gz YXCIOHASTKDLKA-TZMCWYRMSA-N 1 2 346.431 0.591 20 30 ECEDLO C=CC(C)(C)CC(=O)NC[C@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001105980228 763213788 /nfs/dbraw/zinc/21/37/88/763213788.db2.gz NOUGVGXRRBPDJL-NSHDSACASA-N 1 2 332.408 0.855 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNc1[nH+]cnc2c1cnn2C ZINC001106305175 768119086 /nfs/dbraw/zinc/11/90/86/768119086.db2.gz VQHLJOGGDKSKLO-ZBEGNZNMSA-N 1 2 332.408 0.997 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3onc(C)c3C)C2)C1=O ZINC001014866274 763333550 /nfs/dbraw/zinc/33/35/50/763333550.db2.gz ZNOWDSPSWVEUGU-UONOGXRCSA-N 1 2 332.404 0.882 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3onc(C)c3C)C2)C1=O ZINC001014866274 763333559 /nfs/dbraw/zinc/33/35/59/763333559.db2.gz ZNOWDSPSWVEUGU-UONOGXRCSA-N 1 2 332.404 0.882 20 30 ECEDLO N#Cc1c[nH]ccc1=[NH+]C[C@@H](O)CNC(=O)CC1(C(F)(F)F)CC1 ZINC001105991580 763394026 /nfs/dbraw/zinc/39/40/26/763394026.db2.gz KJAUJZNEHJMRFI-LLVKDONJSA-N 1 2 342.321 0.997 20 30 ECEDLO N#Cc1c[nH]ccc1=[NH+]C[C@H](O)CNC(=O)CC1(C(F)(F)F)CC1 ZINC001105991581 763394168 /nfs/dbraw/zinc/39/41/68/763394168.db2.gz KJAUJZNEHJMRFI-NSHDSACASA-N 1 2 342.321 0.997 20 30 ECEDLO CNC(=O)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001046928421 763402266 /nfs/dbraw/zinc/40/22/66/763402266.db2.gz IOZTYTUCCLMYGZ-NSHDSACASA-N 1 2 339.346 0.319 20 30 ECEDLO CNC(=O)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001046928421 763402272 /nfs/dbraw/zinc/40/22/72/763402272.db2.gz IOZTYTUCCLMYGZ-NSHDSACASA-N 1 2 339.346 0.319 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@@H]3C(N)=O)C2)cc1F ZINC001031896111 763431989 /nfs/dbraw/zinc/43/19/89/763431989.db2.gz BSLNUINSGXFGLC-LSDHHAIUSA-N 1 2 344.390 0.757 20 30 ECEDLO COCC(=O)N1CC[C@H]([NH+]2CCN(Cc3ccc(C#N)s3)CC2)C1 ZINC001051956086 763445124 /nfs/dbraw/zinc/44/51/24/763445124.db2.gz IDDBXJAJZWOBKE-AWEZNQCLSA-N 1 2 348.472 0.985 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CCNC3=O)C2)c(F)c1 ZINC001031900492 763461200 /nfs/dbraw/zinc/46/12/00/763461200.db2.gz UOFNTXWTXLIHPP-AWEZNQCLSA-N 1 2 330.363 0.381 20 30 ECEDLO CN1C[C@@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)NC1=O ZINC001031902127 763470067 /nfs/dbraw/zinc/47/00/67/763470067.db2.gz HUQNBXKKJNAWAX-HNNXBMFYSA-N 1 2 327.388 0.130 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(Cc3cncn3C)CC2)C1 ZINC001051997570 763547288 /nfs/dbraw/zinc/54/72/88/763547288.db2.gz DSDTXFDTHOBXRG-GJZGRUSLSA-N 1 2 330.436 0.298 20 30 ECEDLO CCn1cc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)nn1 ZINC001051997914 763549097 /nfs/dbraw/zinc/54/90/97/763549097.db2.gz KQRANVNZWXVMQE-GDBMZVCRSA-N 1 2 345.451 0.176 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(CCc3ccnn3C)CC2)C1 ZINC001051998286 763551722 /nfs/dbraw/zinc/55/17/22/763551722.db2.gz QZEQVNKVGCDTRE-NVXWUHKLSA-N 1 2 344.463 0.341 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn(C)nc3C)C2)CC1 ZINC001052004254 763566877 /nfs/dbraw/zinc/56/68/77/763566877.db2.gz JAIZAQHZRHXBHR-MRXNPFEDSA-N 1 2 329.448 0.584 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3cc(C)n[nH]3)C2)CC1 ZINC001052011600 763582530 /nfs/dbraw/zinc/58/25/30/763582530.db2.gz WEVJULYEUIYZNP-QGZVFWFLSA-N 1 2 329.448 0.502 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)n3cncn3)C2)CC1 ZINC001052017897 763596080 /nfs/dbraw/zinc/59/60/80/763596080.db2.gz YCOMAQQHRVZWGP-HZPDHXFCSA-N 1 2 332.452 0.634 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)Cc3cncnc3)C2)CC1 ZINC001052020782 763602811 /nfs/dbraw/zinc/60/28/11/763602811.db2.gz JNQGMPQTWLJTHV-KRWDZBQOSA-N 1 2 329.448 0.814 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3nnc(C)o3)C2)CC1 ZINC001052022200 763606389 /nfs/dbraw/zinc/60/63/89/763606389.db2.gz JJEYSPCUXURZGH-OAHLLOKOSA-N 1 2 331.420 0.162 20 30 ECEDLO Cc1noc(CN2CC[NH+]([C@H]3CCN(C(=O)C#CC4CC4)C3)CC2)n1 ZINC001052025473 763616395 /nfs/dbraw/zinc/61/63/95/763616395.db2.gz FMBOAEVELILONE-INIZCTEOSA-N 1 2 343.431 0.510 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3nn(C)cc3Cl)C2)CC1 ZINC001052033688 763637720 /nfs/dbraw/zinc/63/77/20/763637720.db2.gz SIRRRKNPKFNCFI-CQSZACIVSA-N 1 2 349.866 0.929 20 30 ECEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)c1c[nH]c(=O)cn1 ZINC001031930946 763644102 /nfs/dbraw/zinc/64/41/02/763644102.db2.gz HYDJBYYEZLNQDW-UHFFFAOYSA-N 1 2 340.358 0.622 20 30 ECEDLO COc1nc(C)ncc1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052035739 763645450 /nfs/dbraw/zinc/64/54/50/763645450.db2.gz ONUOROFVKADJAY-CQSZACIVSA-N 1 2 344.419 0.149 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccnc4ccnn43)C2)CC1 ZINC001052036797 763651129 /nfs/dbraw/zinc/65/11/29/763651129.db2.gz VOIBUAUBUBTECH-HNNXBMFYSA-N 1 2 340.431 0.747 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@]3(C)CCNC(=O)C3)C2)CC1 ZINC001052042846 763672361 /nfs/dbraw/zinc/67/23/61/763672361.db2.gz HYVURXHSIUJDPH-QFBILLFUSA-N 1 2 348.491 0.697 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn(C)c3Cl)C2)CC1 ZINC001052044550 763679037 /nfs/dbraw/zinc/67/90/37/763679037.db2.gz ITUBNSQGBRKWIT-ZDUSSCGKSA-N 1 2 335.839 0.539 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn(C)c3Cl)C2)CC1 ZINC001052044550 763679042 /nfs/dbraw/zinc/67/90/42/763679042.db2.gz ITUBNSQGBRKWIT-ZDUSSCGKSA-N 1 2 335.839 0.539 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCN(C)C(=O)C3)C2)CC1 ZINC001052045442 763683278 /nfs/dbraw/zinc/68/32/78/763683278.db2.gz SXBAVNIAHMCKQW-IRXDYDNUSA-N 1 2 346.475 0.097 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(N(C)C)nc3)C2)CC1 ZINC001052047992 763693667 /nfs/dbraw/zinc/69/36/67/763693667.db2.gz ICGJYYHIKZVBTK-KRWDZBQOSA-N 1 2 341.459 0.613 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(Cl)n(C)n3)C2)CC1 ZINC001052048864 763699003 /nfs/dbraw/zinc/69/90/03/763699003.db2.gz DUMCECGBBKXLJL-CQSZACIVSA-N 1 2 349.866 0.929 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnc(Cl)n3C)C2)CC1 ZINC001052052506 763715315 /nfs/dbraw/zinc/71/53/15/763715315.db2.gz OICCPFVXIRLCMU-ZDUSSCGKSA-N 1 2 335.839 0.539 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC(=O)NC3)C2)c(F)c1 ZINC001015041991 763733981 /nfs/dbraw/zinc/73/39/81/763733981.db2.gz HONDWOSCLFBDKO-ZFWWWQNUSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCC(=O)NC3)C2)c(F)c1 ZINC001015041991 763733982 /nfs/dbraw/zinc/73/39/82/763733982.db2.gz HONDWOSCLFBDKO-ZFWWWQNUSA-N 1 2 344.390 0.914 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(Cc3nnn(C)n3)CC2)C1 ZINC001052063528 763749287 /nfs/dbraw/zinc/74/92/87/763749287.db2.gz VKJHNTXKBLTGIM-CQSZACIVSA-N 1 2 347.467 0.141 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccoc3CC(N)=O)C2)CC1 ZINC001052070289 763768650 /nfs/dbraw/zinc/76/86/50/763768650.db2.gz GKDNGJATWDIXOP-CQSZACIVSA-N 1 2 346.431 0.326 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3cn(C)nc3Cl)C2)CC1 ZINC001052082037 763800280 /nfs/dbraw/zinc/80/02/80/763800280.db2.gz IVGJTUTUYCBHDI-HNNXBMFYSA-N 1 2 349.866 0.468 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)CC1 ZINC001052086563 763815517 /nfs/dbraw/zinc/81/55/17/763815517.db2.gz VBYADFGMIBNHBL-MCIONIFRSA-N 1 2 340.855 0.079 20 30 ECEDLO C=CCC[NH+]1CCN([C@@H]2CCN(C(=O)CCc3cnn[nH]3)C2)CC1 ZINC001052086947 763816495 /nfs/dbraw/zinc/81/64/95/763816495.db2.gz LORPIBHGHZGDJK-MRXNPFEDSA-N 1 2 332.452 0.532 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(C)[nH]c3=O)C2)CC1 ZINC001052087599 763820325 /nfs/dbraw/zinc/82/03/25/763820325.db2.gz ZSJHITYPFLUPRD-MRXNPFEDSA-N 1 2 342.443 0.951 20 30 ECEDLO COc1nc(C)ccc1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052093225 763836897 /nfs/dbraw/zinc/83/68/97/763836897.db2.gz LQOKUPJHMXFBLE-OAHLLOKOSA-N 1 2 343.431 0.754 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(C)nc(C)n3)C2)CC1 ZINC001052097037 763848948 /nfs/dbraw/zinc/84/89/48/763848948.db2.gz TWEJUYWOYBKAJY-KRWDZBQOSA-N 1 2 341.459 0.949 20 30 ECEDLO N#CCOc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cnco3)C2)cc1 ZINC001077474108 763872516 /nfs/dbraw/zinc/87/25/16/763872516.db2.gz ZQILAFGXYYOZFH-HUUCEWRRSA-N 1 2 342.355 0.552 20 30 ECEDLO N#CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cnco3)C2)cc1 ZINC001077474108 763872520 /nfs/dbraw/zinc/87/25/20/763872520.db2.gz ZQILAFGXYYOZFH-HUUCEWRRSA-N 1 2 342.355 0.552 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3c[nH]c(C)cc3=O)C2)CC1 ZINC001052104962 763874140 /nfs/dbraw/zinc/87/41/40/763874140.db2.gz CBWCQJOLRWHDLU-INIZCTEOSA-N 1 2 342.443 0.539 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn(CC4CC4)c3)C2)CC1 ZINC001052105567 763877029 /nfs/dbraw/zinc/87/70/29/763877029.db2.gz LTKZNFLTJFMKPU-KRWDZBQOSA-N 1 2 342.447 0.649 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCCN(C)C3=O)C2)CC1 ZINC001052106232 763879710 /nfs/dbraw/zinc/87/97/10/763879710.db2.gz GDQDTWOXBKWJCE-IAGOWNOFSA-N 1 2 346.475 0.097 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@]3(C)CCN(C(C)=O)C3)C2)CC1 ZINC001052106270 763879878 /nfs/dbraw/zinc/87/98/78/763879878.db2.gz GXAOJAQMNQOPPW-HKUYNNGSSA-N 1 2 346.475 0.097 20 30 ECEDLO CN(C(=O)c1cnccn1)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047286410 763887701 /nfs/dbraw/zinc/88/77/01/763887701.db2.gz OSBNOQGMINWOOP-GJZGRUSLSA-N 1 2 343.412 0.727 20 30 ECEDLO CN(C(=O)c1cnccn1)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047286410 763887711 /nfs/dbraw/zinc/88/77/11/763887711.db2.gz OSBNOQGMINWOOP-GJZGRUSLSA-N 1 2 343.412 0.727 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)COc3ccsc3)C2)CC1 ZINC001052108274 763890084 /nfs/dbraw/zinc/89/00/84/763890084.db2.gz LSDUFQSIABWQGR-OAHLLOKOSA-N 1 2 333.457 0.979 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)=O)C2)CC1 ZINC001052110065 763899349 /nfs/dbraw/zinc/89/93/49/763899349.db2.gz LJTLQPWRFOEZKL-MSOLQXFVSA-N 1 2 348.491 0.792 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)COc3ccccc3)C2)CC1 ZINC001052112780 763907477 /nfs/dbraw/zinc/90/74/77/763907477.db2.gz DDBZMZLIUBFRMM-QGZVFWFLSA-N 1 2 327.428 0.917 20 30 ECEDLO CCOc1ncccc1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052112829 763909621 /nfs/dbraw/zinc/90/96/21/763909621.db2.gz FNJVCQCUBZILGM-HNNXBMFYSA-N 1 2 343.431 0.836 20 30 ECEDLO CC(C)c1nn(C)cc1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052113967 763915252 /nfs/dbraw/zinc/91/52/52/763915252.db2.gz FZPCCUDRTUCGEL-HNNXBMFYSA-N 1 2 344.463 0.899 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(=O)[nH]c3)C2)CC1 ZINC001052114510 763916581 /nfs/dbraw/zinc/91/65/81/763916581.db2.gz LZJKWSNDRLKTOM-MRXNPFEDSA-N 1 2 328.416 0.643 20 30 ECEDLO CN(C(=O)c1cnn(C)c1)[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047298615 763917353 /nfs/dbraw/zinc/91/73/53/763917353.db2.gz LCLIOWSJPAAUKD-IRXDYDNUSA-N 1 2 339.399 0.609 20 30 ECEDLO CN(C(=O)c1cnn(C)c1)[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047298615 763917364 /nfs/dbraw/zinc/91/73/64/763917364.db2.gz LCLIOWSJPAAUKD-IRXDYDNUSA-N 1 2 339.399 0.609 20 30 ECEDLO CN(C)c1ncccc1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052116910 763925726 /nfs/dbraw/zinc/92/57/26/763925726.db2.gz AQCRHQLFFDRLCF-HNNXBMFYSA-N 1 2 342.447 0.503 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)C2)CC1 ZINC001052121840 763943351 /nfs/dbraw/zinc/94/33/51/763943351.db2.gz IMZXINWROOZOLE-IAGOWNOFSA-N 1 2 346.475 0.097 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)c3cnn(C)c3)C2)CC1 ZINC001052123901 763951108 /nfs/dbraw/zinc/95/11/08/763951108.db2.gz SUDKNSJOARJCRF-FUHWJXTLSA-N 1 2 343.475 0.765 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)C3CCOCC3)C2)CC1 ZINC001052127340 763955805 /nfs/dbraw/zinc/95/58/05/763955805.db2.gz VUPHXCKCBUVBNL-SJLPKXTDSA-N 1 2 333.476 0.901 20 30 ECEDLO CN(C(=O)Cc1cc[nH]n1)[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047332725 764030439 /nfs/dbraw/zinc/03/04/39/764030439.db2.gz ZAZVCZPJNSBQDD-IRXDYDNUSA-N 1 2 339.399 0.528 20 30 ECEDLO CN(C(=O)Cc1cc[nH]n1)[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047332725 764030449 /nfs/dbraw/zinc/03/04/49/764030449.db2.gz ZAZVCZPJNSBQDD-IRXDYDNUSA-N 1 2 339.399 0.528 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CC(C)C)c2CC)C1 ZINC001047376976 764159718 /nfs/dbraw/zinc/15/97/18/764159718.db2.gz DVFWJPZIVYDLNZ-IRXDYDNUSA-N 1 2 332.448 0.852 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CC(C)C)c2CC)C1 ZINC001047376976 764159721 /nfs/dbraw/zinc/15/97/21/764159721.db2.gz DVFWJPZIVYDLNZ-IRXDYDNUSA-N 1 2 332.448 0.852 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc([C@@H](C)OC)n2)C1 ZINC001047379506 764165377 /nfs/dbraw/zinc/16/53/77/764165377.db2.gz DHTTUIZRJVRHLE-XBFCOCLRSA-N 1 2 337.445 0.991 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc([C@@H](C)OC)n2)C1 ZINC001047379506 764165380 /nfs/dbraw/zinc/16/53/80/764165380.db2.gz DHTTUIZRJVRHLE-XBFCOCLRSA-N 1 2 337.445 0.991 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc([C@H](C)OC)n2)C1 ZINC001047379505 764165412 /nfs/dbraw/zinc/16/54/12/764165412.db2.gz DHTTUIZRJVRHLE-UBHSHLNASA-N 1 2 337.445 0.991 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2csc([C@H](C)OC)n2)C1 ZINC001047379505 764165415 /nfs/dbraw/zinc/16/54/15/764165415.db2.gz DHTTUIZRJVRHLE-UBHSHLNASA-N 1 2 337.445 0.991 20 30 ECEDLO C=CCn1cc(C(=O)NCC2C[NH+](CC(=O)N3CCCCC3)C2)nn1 ZINC001032034714 764220320 /nfs/dbraw/zinc/22/03/20/764220320.db2.gz BOSLSASDGICBKE-UHFFFAOYSA-N 1 2 346.435 0.138 20 30 ECEDLO C=CCOCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001047404680 764236516 /nfs/dbraw/zinc/23/65/16/764236516.db2.gz ULLDZNQYOFUQRS-YDHLFZDLSA-N 1 2 332.404 0.651 20 30 ECEDLO C[C@H](c1nnnn1C)[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001052319114 764242227 /nfs/dbraw/zinc/24/22/27/764242227.db2.gz RIQPCNRKAJFIFA-DGCLKSJQSA-N 1 2 342.407 0.755 20 30 ECEDLO C[C@H](c1nnnn1C)[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001052319114 764242230 /nfs/dbraw/zinc/24/22/30/764242230.db2.gz RIQPCNRKAJFIFA-DGCLKSJQSA-N 1 2 342.407 0.755 20 30 ECEDLO C=C[C@H](CC)CC(=O)NC[C@@H](O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106066919 764280100 /nfs/dbraw/zinc/28/01/00/764280100.db2.gz NHSSSRSSZVABIG-CHWSQXEVSA-N 1 2 336.440 0.737 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)[nH]nc2C(F)(F)F)C1 ZINC001047460681 764413706 /nfs/dbraw/zinc/41/37/06/764413706.db2.gz MITRYSVSBRINAP-UWVGGRQHSA-N 1 2 330.310 0.487 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2c(C)[nH]nc2C(F)(F)F)C1 ZINC001047460681 764413712 /nfs/dbraw/zinc/41/37/12/764413712.db2.gz MITRYSVSBRINAP-UWVGGRQHSA-N 1 2 330.310 0.487 20 30 ECEDLO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@H+](Cc3c(C)nnn3CC)C[C@@H]2O)C1 ZINC001047516735 764567232 /nfs/dbraw/zinc/56/72/32/764567232.db2.gz KIDXIEUDSPPDEL-HOTGVXAUSA-N 1 2 347.463 0.966 20 30 ECEDLO C=C1CC(C)(C(=O)N(C)[C@H]2C[N@@H+](Cc3c(C)nnn3CC)C[C@@H]2O)C1 ZINC001047516735 764567237 /nfs/dbraw/zinc/56/72/37/764567237.db2.gz KIDXIEUDSPPDEL-HOTGVXAUSA-N 1 2 347.463 0.966 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2cnc(F)cn2)C1 ZINC001052728355 765048537 /nfs/dbraw/zinc/04/85/37/765048537.db2.gz VDIZWJQRZQNBGI-IJLUTSLNSA-N 1 2 343.366 0.915 20 30 ECEDLO NC(=O)C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC001015641227 765116785 /nfs/dbraw/zinc/11/67/85/765116785.db2.gz GLMRCXURTBWPTI-CYBMUJFWSA-N 1 2 339.317 0.733 20 30 ECEDLO NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC001015641227 765116790 /nfs/dbraw/zinc/11/67/90/765116790.db2.gz GLMRCXURTBWPTI-CYBMUJFWSA-N 1 2 339.317 0.733 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3c(C)nnn3CC)C2)c1 ZINC001015678428 765150118 /nfs/dbraw/zinc/15/01/18/765150118.db2.gz HSGOAXDGMMSOKS-MRXNPFEDSA-N 1 2 338.415 0.987 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3c(C)nnn3CC)C2)c1 ZINC001015678428 765150120 /nfs/dbraw/zinc/15/01/20/765150120.db2.gz HSGOAXDGMMSOKS-MRXNPFEDSA-N 1 2 338.415 0.987 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000992037550 765232884 /nfs/dbraw/zinc/23/28/84/765232884.db2.gz GKGPXFWYOVVYCX-HOCLYGCPSA-N 1 2 332.404 0.651 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000992037550 765232888 /nfs/dbraw/zinc/23/28/88/765232888.db2.gz GKGPXFWYOVVYCX-HOCLYGCPSA-N 1 2 332.404 0.651 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3c(C)nnn3CC)C2)nn1 ZINC001015812040 765371017 /nfs/dbraw/zinc/37/10/17/765371017.db2.gz RVSVGESTJIRDSJ-ZDUSSCGKSA-N 1 2 344.423 0.388 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3c(C)nnn3CC)C2)nn1 ZINC001015812040 765371021 /nfs/dbraw/zinc/37/10/21/765371021.db2.gz RVSVGESTJIRDSJ-ZDUSSCGKSA-N 1 2 344.423 0.388 20 30 ECEDLO C=CCOCC(=O)NC[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001053067663 765542199 /nfs/dbraw/zinc/54/21/99/765542199.db2.gz VZHVVALMSDVZRF-GJZGRUSLSA-N 1 2 334.420 0.687 20 30 ECEDLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1CNC(=O)CSCC#N ZINC001053076535 765553015 /nfs/dbraw/zinc/55/30/15/765553015.db2.gz ZRUYHCARCHNTOU-ZIAGYGMSSA-N 1 2 349.460 0.741 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNc1ncnc2c1C[N@H+](C)CC2 ZINC001106442584 768309934 /nfs/dbraw/zinc/30/99/34/768309934.db2.gz IXPFWPCRMWDAEM-KBPBESRZSA-N 1 2 345.447 0.810 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106442584 768309943 /nfs/dbraw/zinc/30/99/43/768309943.db2.gz IXPFWPCRMWDAEM-KBPBESRZSA-N 1 2 345.447 0.810 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC001016016874 765723060 /nfs/dbraw/zinc/72/30/60/765723060.db2.gz OMGVHUYADUCASV-CQSZACIVSA-N 1 2 342.399 0.130 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC001016016874 765723068 /nfs/dbraw/zinc/72/30/68/765723068.db2.gz OMGVHUYADUCASV-CQSZACIVSA-N 1 2 342.399 0.130 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)C2)cn1 ZINC001016029223 765732169 /nfs/dbraw/zinc/73/21/69/765732169.db2.gz DHJONSSFWQDMCQ-XJKSGUPXSA-N 1 2 347.440 0.302 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C2)cn1 ZINC001016029223 765732174 /nfs/dbraw/zinc/73/21/74/765732174.db2.gz DHJONSSFWQDMCQ-XJKSGUPXSA-N 1 2 347.440 0.302 20 30 ECEDLO N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)nn1 ZINC001106105846 765765971 /nfs/dbraw/zinc/76/59/71/765765971.db2.gz YSHUSICMEYQZLL-NWDGAFQWSA-N 1 2 341.375 0.080 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(=O)n(CCOC)n1 ZINC001017719244 768321633 /nfs/dbraw/zinc/32/16/33/768321633.db2.gz RXLGGTFLPHDZCP-GASCZTMLSA-N 1 2 344.415 0.202 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(=O)n(CCOC)n1 ZINC001017719244 768321636 /nfs/dbraw/zinc/32/16/36/768321636.db2.gz RXLGGTFLPHDZCP-GASCZTMLSA-N 1 2 344.415 0.202 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cn(CC3CC3)nn1)CCO2 ZINC001053486718 766221527 /nfs/dbraw/zinc/22/15/27/766221527.db2.gz AEUNRBSSUPVMIX-UHFFFAOYSA-N 1 2 331.420 0.791 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)nc1[C@H]1CCOC1 ZINC001017771030 768358309 /nfs/dbraw/zinc/35/83/09/768358309.db2.gz BFRWJZHGVPMHCJ-SOUVJXGZSA-N 1 2 328.416 0.846 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)nc1[C@H]1CCOC1 ZINC001017771030 768358318 /nfs/dbraw/zinc/35/83/18/768358318.db2.gz BFRWJZHGVPMHCJ-SOUVJXGZSA-N 1 2 328.416 0.846 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001045778277 766359127 /nfs/dbraw/zinc/35/91/27/766359127.db2.gz WVTMFCMJCTZENT-INIZCTEOSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001045783223 766364994 /nfs/dbraw/zinc/36/49/94/766364994.db2.gz RYMXMFDUDZJXDQ-PBFPGSCMSA-N 1 2 346.431 0.805 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001045783223 766365007 /nfs/dbraw/zinc/36/50/07/766365007.db2.gz RYMXMFDUDZJXDQ-PBFPGSCMSA-N 1 2 346.431 0.805 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(=O)n(C)cn1)O2 ZINC001053610604 766429238 /nfs/dbraw/zinc/42/92/38/766429238.db2.gz VKBDBRFQLABUQY-CYBMUJFWSA-N 1 2 332.404 0.320 20 30 ECEDLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCCCC2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212251141 766430026 /nfs/dbraw/zinc/43/00/26/766430026.db2.gz QVBZTADXOFRHJC-DJIMGWMZSA-N 1 2 347.459 0.616 20 30 ECEDLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCCCC2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212251141 766430030 /nfs/dbraw/zinc/43/00/30/766430030.db2.gz QVBZTADXOFRHJC-DJIMGWMZSA-N 1 2 347.459 0.616 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cn3c(n1)COCC3)O2 ZINC001053617828 766443191 /nfs/dbraw/zinc/44/31/91/766443191.db2.gz HOULFKHHTQATHB-CYBMUJFWSA-N 1 2 332.404 0.563 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2cnnn2CC)C1 ZINC001031680123 766445546 /nfs/dbraw/zinc/44/55/46/766445546.db2.gz ULNATFOZXWHBKG-CVEARBPZSA-N 1 2 333.436 0.827 20 30 ECEDLO N#CCN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCn3c[nH+]cc3C1)O2 ZINC001053618504 766445950 /nfs/dbraw/zinc/44/59/50/766445950.db2.gz ZKTHPESLQOIRLL-UKRRQHHQSA-N 1 2 329.404 0.319 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCc2sc(C[NH2+][C@@H]3CCNC3=O)nc2C1 ZINC001089273927 766470341 /nfs/dbraw/zinc/47/03/41/766470341.db2.gz KNRMRGWZXPYXMW-NXEZZACHSA-N 1 2 333.417 0.166 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001016568319 766511746 /nfs/dbraw/zinc/51/17/46/766511746.db2.gz KBIZJYWYTMXVAJ-NDTCATRNSA-N 1 2 346.431 0.970 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCC(=O)N1C)O2 ZINC001053693640 766602205 /nfs/dbraw/zinc/60/22/05/766602205.db2.gz HJRXOFYUFXKCLR-CABCVRRESA-N 1 2 335.448 0.923 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cccnc2OC)C[C@H]1OC ZINC001212258612 766610651 /nfs/dbraw/zinc/61/06/51/766610651.db2.gz XBWZXJPFQYLYLZ-NUEKZKHPSA-N 1 2 347.415 0.444 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cccnc2OC)C[C@H]1OC ZINC001212258612 766610657 /nfs/dbraw/zinc/61/06/57/766610657.db2.gz XBWZXJPFQYLYLZ-NUEKZKHPSA-N 1 2 347.415 0.444 20 30 ECEDLO C=CCN1CC[C@H](N2CC(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1=O ZINC001030936273 766616304 /nfs/dbraw/zinc/61/63/04/766616304.db2.gz PTNYTHUBISJHSW-HIFRSBDPSA-N 1 2 343.431 0.417 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cccnc1C(N)=O)O2 ZINC001053699539 766616911 /nfs/dbraw/zinc/61/69/11/766616911.db2.gz GAXFKBLPWYDTTM-CYBMUJFWSA-N 1 2 344.415 0.720 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C(N)=O)ccn1)O2 ZINC001053704586 766630187 /nfs/dbraw/zinc/63/01/87/766630187.db2.gz JHPVVOBRQGSFBD-CQSZACIVSA-N 1 2 344.415 0.720 20 30 ECEDLO Cc1noc(C[N@H+]2CC[C@@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)n1 ZINC001046012838 766641585 /nfs/dbraw/zinc/64/15/85/766641585.db2.gz QJYUNGPLMQVYRW-TZMCWYRMSA-N 1 2 332.408 0.256 20 30 ECEDLO Cc1noc(C[N@@H+]2CC[C@@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)n1 ZINC001046012838 766641588 /nfs/dbraw/zinc/64/15/88/766641588.db2.gz QJYUNGPLMQVYRW-TZMCWYRMSA-N 1 2 332.408 0.256 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001212262313 766681912 /nfs/dbraw/zinc/68/19/12/766681912.db2.gz LBWJPVRWYLBLRJ-HZPDHXFCSA-N 1 2 347.440 0.975 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1OC ZINC001212262313 766681914 /nfs/dbraw/zinc/68/19/14/766681914.db2.gz LBWJPVRWYLBLRJ-HZPDHXFCSA-N 1 2 347.440 0.975 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@H]3CCn4cncc4C3)CC2)C1 ZINC001046038653 766739385 /nfs/dbraw/zinc/73/93/85/766739385.db2.gz HFFUAOTYQBDMCU-JKSUJKDBSA-N 1 2 342.447 0.188 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cnn4c3OCCC4)CC2)C1 ZINC001046041188 766750950 /nfs/dbraw/zinc/75/09/50/766750950.db2.gz FQENKWGJHPHPCV-AWEZNQCLSA-N 1 2 344.419 0.021 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](OC)C3CCCC3)C2)nn1 ZINC001098779478 766762381 /nfs/dbraw/zinc/76/23/81/766762381.db2.gz HMJVVKOXXZKDAF-IAGOWNOFSA-N 1 2 345.447 0.980 20 30 ECEDLO CC1(C)CO[C@H](CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)C1 ZINC001046044606 766767072 /nfs/dbraw/zinc/76/70/72/766767072.db2.gz ZTLVWJPZFSPHFZ-HZPDHXFCSA-N 1 2 334.464 0.934 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 ZINC001106132856 766775851 /nfs/dbraw/zinc/77/58/51/766775851.db2.gz BGAMFJSRGMXRSV-FZMZJTMJSA-N 1 2 328.376 0.444 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 ZINC001106132856 766775858 /nfs/dbraw/zinc/77/58/58/766775858.db2.gz BGAMFJSRGMXRSV-FZMZJTMJSA-N 1 2 328.376 0.444 20 30 ECEDLO COc1c(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)c(C)nn1C ZINC001046065669 766851868 /nfs/dbraw/zinc/85/18/68/766851868.db2.gz BUDPBGHQHAGYDC-CQSZACIVSA-N 1 2 346.435 0.093 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)CN1C(=O)CC(C)(C)C1=O)CO2 ZINC001053801120 766884582 /nfs/dbraw/zinc/88/45/82/766884582.db2.gz FKIMIEJSPRHHCQ-CYBMUJFWSA-N 1 2 349.431 0.307 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)CCc3cnccn3)CC2)C1 ZINC001046074641 766892069 /nfs/dbraw/zinc/89/20/69/766892069.db2.gz CNVZLFZODOCCND-MRXNPFEDSA-N 1 2 328.420 0.151 20 30 ECEDLO Cc1noc(C)c1CCC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046082114 766921075 /nfs/dbraw/zinc/92/10/75/766921075.db2.gz NOTNYTPVQYYJSR-INIZCTEOSA-N 1 2 345.447 0.966 20 30 ECEDLO Cc1cc(C)n([C@@H](C)C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)n1 ZINC001046084997 766926134 /nfs/dbraw/zinc/92/61/34/766926134.db2.gz JLHXDAMSXNFLQG-DLBZAZTESA-N 1 2 344.463 0.803 20 30 ECEDLO Cc1cc(=O)[nH]c(C)c1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046085328 766926356 /nfs/dbraw/zinc/92/63/56/766926356.db2.gz GYJZUSLUJHIKAN-OAHLLOKOSA-N 1 2 343.431 0.760 20 30 ECEDLO C[C@@H](C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1)N1CCCCC1=O ZINC001046086187 766928260 /nfs/dbraw/zinc/92/82/60/766928260.db2.gz MYLLUIUIXFGBKP-HOTGVXAUSA-N 1 2 347.463 0.129 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C)N1C(=O)CCC1=O)CO2 ZINC001053820782 766936389 /nfs/dbraw/zinc/93/63/89/766936389.db2.gz LTEFHKQBXZBPOQ-QWHCGFSZSA-N 1 2 335.404 0.060 20 30 ECEDLO C=CCN1CC[C@H](N2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1=O ZINC001030978179 766949307 /nfs/dbraw/zinc/94/93/07/766949307.db2.gz ZSUFEMSQXDZHLD-KFWWJZLASA-N 1 2 343.431 0.111 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3ncncc3C1)CO2 ZINC001053826657 766952950 /nfs/dbraw/zinc/95/29/50/766952950.db2.gz GZWMOXLJJMHRKD-GOEBONIOSA-N 1 2 340.427 0.564 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnn3ncccc13)CO2 ZINC001053831198 766965838 /nfs/dbraw/zinc/96/58/38/766965838.db2.gz WBNJSKOOAAVXIT-ZDUSSCGKSA-N 1 2 327.388 0.879 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc3nccnc3c1)CO2 ZINC001053831552 766966637 /nfs/dbraw/zinc/96/66/37/766966637.db2.gz IUYPTGJBCQZRTJ-CQSZACIVSA-N 1 2 337.383 0.621 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc3n1CCOC3)CO2 ZINC001053834686 766973844 /nfs/dbraw/zinc/97/38/44/766973844.db2.gz TZEDZMVDRUPWSB-ZDUSSCGKSA-N 1 2 332.404 0.563 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001016815958 766976468 /nfs/dbraw/zinc/97/64/68/766976468.db2.gz MKVHROLAUIDNGH-UHFFFAOYSA-N 1 2 340.387 0.880 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cncc(OC)c1C)CO2 ZINC001053848184 767010421 /nfs/dbraw/zinc/01/04/21/767010421.db2.gz SXXPNRFNNDPHJJ-AWEZNQCLSA-N 1 2 329.400 0.995 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1COC3(CN(CC#N)C3)C1)C2 ZINC001053851317 767019220 /nfs/dbraw/zinc/01/92/20/767019220.db2.gz PRKJBCOSPWPNRP-STQMWFEESA-N 1 2 329.404 0.306 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1COC3(CN(CC#N)C3)C1)CC2 ZINC001053851317 767019231 /nfs/dbraw/zinc/01/92/31/767019231.db2.gz PRKJBCOSPWPNRP-STQMWFEESA-N 1 2 329.404 0.306 20 30 ECEDLO CC#CCN1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3[nH+]c(C)[nH]c3C1)CO2 ZINC001053851340 767020691 /nfs/dbraw/zinc/02/06/91/767020691.db2.gz QMCCLYMBBCZSMT-CABCVRRESA-N 1 2 342.443 0.806 20 30 ECEDLO CC#CCN1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3[nH]c(C)[nH+]c3C1)CO2 ZINC001053851340 767020702 /nfs/dbraw/zinc/02/07/02/767020702.db2.gz QMCCLYMBBCZSMT-CABCVRRESA-N 1 2 342.443 0.806 20 30 ECEDLO Cn1cnnc1C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC001042015756 782602412 /nfs/dbraw/zinc/60/24/12/782602412.db2.gz KWCZDTKGHXHLQZ-IUODEOHRSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1cnnc1C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC001042015756 782602413 /nfs/dbraw/zinc/60/24/13/782602413.db2.gz KWCZDTKGHXHLQZ-IUODEOHRSA-N 1 2 339.403 0.751 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@@H](O)C2)s1 ZINC001083709480 767095077 /nfs/dbraw/zinc/09/50/77/767095077.db2.gz RIGOYMJEDRESCW-SEBNEYGDSA-N 1 2 333.413 0.173 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@@H](O)C2)s1 ZINC001083709480 767095082 /nfs/dbraw/zinc/09/50/82/767095082.db2.gz RIGOYMJEDRESCW-SEBNEYGDSA-N 1 2 333.413 0.173 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3nncn3CC1)CO2 ZINC001053874374 767104024 /nfs/dbraw/zinc/10/40/24/767104024.db2.gz WDQNVPBXBFXHDW-CABCVRRESA-N 1 2 343.431 0.213 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)c2cc[nH]c2)[C@H](OC)C1 ZINC001212306972 767195240 /nfs/dbraw/zinc/19/52/40/767195240.db2.gz QBGFPPQNWUDZQG-HZPDHXFCSA-N 1 2 346.431 0.644 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)c2cc[nH]c2)[C@H](OC)C1 ZINC001212306972 767195242 /nfs/dbraw/zinc/19/52/42/767195242.db2.gz QBGFPPQNWUDZQG-HZPDHXFCSA-N 1 2 346.431 0.644 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2C=CC=CC=C2)[C@H](OC)C1 ZINC001212341247 767268485 /nfs/dbraw/zinc/26/84/85/767268485.db2.gz YAMPIIDQVUFKAC-DJIMGWMZSA-N 1 2 345.443 0.791 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2C=CC=CC=C2)[C@H](OC)C1 ZINC001212341247 767268488 /nfs/dbraw/zinc/26/84/88/767268488.db2.gz YAMPIIDQVUFKAC-DJIMGWMZSA-N 1 2 345.443 0.791 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c[nH]nc1[C@H]1CCCO1)CO2 ZINC001053904279 767311308 /nfs/dbraw/zinc/31/13/08/767311308.db2.gz JLXBYTNSEFYRNI-UKRRQHHQSA-N 1 2 344.415 0.858 20 30 ECEDLO N#CCN1CC2(C1)C[C@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)CO2 ZINC001053904311 767313038 /nfs/dbraw/zinc/31/30/38/767313038.db2.gz KKKUAAINWOMBEY-HOCLYGCPSA-N 1 2 348.447 0.113 20 30 ECEDLO N#CCN1CC2(C1)C[C@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)CO2 ZINC001053904311 767313046 /nfs/dbraw/zinc/31/30/46/767313046.db2.gz KKKUAAINWOMBEY-HOCLYGCPSA-N 1 2 348.447 0.113 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCc3nn[nH]c31)CO2 ZINC001053908157 767327757 /nfs/dbraw/zinc/32/77/57/767327757.db2.gz LQRZSZUHDYIJFA-QWHCGFSZSA-N 1 2 329.404 0.207 20 30 ECEDLO CN(C(=O)Cc1[nH]cc[nH+]1)C1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001016932198 767339360 /nfs/dbraw/zinc/33/93/60/767339360.db2.gz DAFNGLVSHMLAHI-UHFFFAOYSA-N 1 2 326.360 0.571 20 30 ECEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CCNS(=O)(=O)CC)C[C@H]1OC ZINC001212344698 767345146 /nfs/dbraw/zinc/34/51/46/767345146.db2.gz ILCUVVBHRGJUKP-ZIAGYGMSSA-N 1 2 347.481 0.097 20 30 ECEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CCNS(=O)(=O)CC)C[C@H]1OC ZINC001212344698 767345149 /nfs/dbraw/zinc/34/51/49/767345149.db2.gz ILCUVVBHRGJUKP-ZIAGYGMSSA-N 1 2 347.481 0.097 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2COC3(C[NH+](C[C@@H](C)OC)C3)C2)c1 ZINC001053920561 767361863 /nfs/dbraw/zinc/36/18/63/767361863.db2.gz MTKDRTKIFXPSDH-CJNGLKHVSA-N 1 2 329.400 0.671 20 30 ECEDLO N#Cc1c(F)cccc1NC[C@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001106150255 767364125 /nfs/dbraw/zinc/36/41/25/767364125.db2.gz OQZROKVZUJWSJM-LBPRGKRZSA-N 1 2 331.351 0.942 20 30 ECEDLO N#Cc1c(F)cccc1NC[C@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001106150255 767364135 /nfs/dbraw/zinc/36/41/35/767364135.db2.gz OQZROKVZUJWSJM-LBPRGKRZSA-N 1 2 331.351 0.942 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1cn(C)nc1Cl)CO2 ZINC001053923972 767370175 /nfs/dbraw/zinc/37/01/75/767370175.db2.gz HJNRHKFYZNFPKJ-ZDUSSCGKSA-N 1 2 336.823 0.599 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(C)c(C(N)=O)cn1)CO2 ZINC001053930647 767391553 /nfs/dbraw/zinc/39/15/53/767391553.db2.gz YIZZQNHHWFGJMJ-ZDUSSCGKSA-N 1 2 342.399 0.085 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3nnnn3CC1)CO2 ZINC001053931671 767393350 /nfs/dbraw/zinc/39/33/50/767393350.db2.gz CDWIFDFLSGGAEQ-UONOGXRCSA-N 1 2 346.435 0.161 20 30 ECEDLO C#Cc1cncc(C(=O)NCC[C@H](C)NC(=O)Cc2c[nH+]cn2C)c1 ZINC001078288576 782620927 /nfs/dbraw/zinc/62/09/27/782620927.db2.gz HGXTWNZHIZTVLE-ZDUSSCGKSA-N 1 2 339.399 0.664 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccnc(C3CC3)n1)CO2 ZINC001053944067 767417501 /nfs/dbraw/zinc/41/75/01/767417501.db2.gz CERVHQSADWYLOB-AWEZNQCLSA-N 1 2 326.400 0.950 20 30 ECEDLO C=CCN1CC2(C1)C[C@@H](NC(=O)C1([NH+]3CCOCC3)CCCC1)CO2 ZINC001053945323 767420852 /nfs/dbraw/zinc/42/08/52/767420852.db2.gz SRACKVQSSXNTGS-MRXNPFEDSA-N 1 2 349.475 0.777 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C)nc1OC)CO2 ZINC001053948934 767430175 /nfs/dbraw/zinc/43/01/75/767430175.db2.gz UXZXHYFEHCZDNS-CQSZACIVSA-N 1 2 329.400 0.995 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cn(CC3CC3)nn1)CO2 ZINC001053969190 767489749 /nfs/dbraw/zinc/48/97/49/767489749.db2.gz HRSRYPOGVSLMEM-AWEZNQCLSA-N 1 2 329.404 0.285 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C(=O)N1CCC[C@H]1CC)CO2 ZINC001053975199 767504507 /nfs/dbraw/zinc/50/45/07/767504507.db2.gz ZIVALYRFPAWMPX-LSDHHAIUSA-N 1 2 335.448 0.923 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn([C@@H]3CCOC3)nn1)CO2 ZINC001053977475 767511453 /nfs/dbraw/zinc/51/14/53/767511453.db2.gz VVIOAXGZTIUZFX-ZIAGYGMSSA-N 1 2 347.419 0.389 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3n[nH]cc3C1)CO2 ZINC001053981333 767521633 /nfs/dbraw/zinc/52/16/33/767521633.db2.gz IEGSKFXSVSNLLN-DZGCQCFKSA-N 1 2 328.416 0.497 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnn3ccc(C)nc13)CO2 ZINC001053985705 767535681 /nfs/dbraw/zinc/53/56/81/767535681.db2.gz XEZDCPLXSOTZGT-CQSZACIVSA-N 1 2 339.399 0.634 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(NC(N)=O)cc1)CO2 ZINC001053999141 767562292 /nfs/dbraw/zinc/56/22/92/767562292.db2.gz BNENNXADDWOZCX-HNNXBMFYSA-N 1 2 342.399 0.774 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc(C(N)=O)cc1)CO2 ZINC001054004954 767573100 /nfs/dbraw/zinc/57/31/00/767573100.db2.gz BBLRHMMGCFDVEU-HNNXBMFYSA-N 1 2 329.400 0.935 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(C(N)=O)cc1)CO2 ZINC001054005795 767574776 /nfs/dbraw/zinc/57/47/76/767574776.db2.gz MOGSQMJRAZRWJK-OAHLLOKOSA-N 1 2 327.384 0.382 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc(C(=O)NC)c1)CO2 ZINC001054012921 767596544 /nfs/dbraw/zinc/59/65/44/767596544.db2.gz LAIZKCSWZVBWII-INIZCTEOSA-N 1 2 341.411 0.643 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cncc(C(N)=O)c1 ZINC001054061433 767659578 /nfs/dbraw/zinc/65/95/78/767659578.db2.gz ZXRPPSBPHITSIP-GOSISDBHSA-N 1 2 348.406 0.970 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cncc(C(N)=O)c1 ZINC001054061433 767659581 /nfs/dbraw/zinc/65/95/81/767659581.db2.gz ZXRPPSBPHITSIP-GOSISDBHSA-N 1 2 348.406 0.970 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N(CCO)CCNc1ncccc1C#N ZINC001111495424 767785344 /nfs/dbraw/zinc/78/53/44/767785344.db2.gz HARQZOHKUNGWSH-UHFFFAOYSA-N 1 2 342.403 0.552 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@@H+]1Cc1cnnn1C ZINC000993207094 768488392 /nfs/dbraw/zinc/48/83/92/768488392.db2.gz LJPMIKQFUOIACP-BXUZGUMPSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@H+]1Cc1cnnn1C ZINC000993207094 768488395 /nfs/dbraw/zinc/48/83/95/768488395.db2.gz LJPMIKQFUOIACP-BXUZGUMPSA-N 1 2 327.392 0.798 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCc3cnn(C)c3)C2)nn1 ZINC001098789382 768576596 /nfs/dbraw/zinc/57/65/96/768576596.db2.gz CDCQPFMTQYTIPN-MRXNPFEDSA-N 1 2 341.419 0.141 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@]2(C)CCOC2)C1=O ZINC001018110704 768739697 /nfs/dbraw/zinc/73/96/97/768739697.db2.gz IYRMBHGNQDPCEI-RCJHGTSTSA-N 1 2 347.459 0.875 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@]2(C)CCOC2)C1=O ZINC001018110704 768739701 /nfs/dbraw/zinc/73/97/01/768739701.db2.gz IYRMBHGNQDPCEI-RCJHGTSTSA-N 1 2 347.459 0.875 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001055313237 768768737 /nfs/dbraw/zinc/76/87/37/768768737.db2.gz HVLWOOBGTCFHKN-IIYDPXPESA-N 1 2 332.404 0.196 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCCCC(=O)NC)C2)nn1 ZINC001098790599 768770702 /nfs/dbraw/zinc/77/07/02/768770702.db2.gz WQXSQSARLNCYSE-HNNXBMFYSA-N 1 2 346.435 0.081 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001055313999 768771172 /nfs/dbraw/zinc/77/11/72/768771172.db2.gz LVMRDAIYQMGRFJ-RVKKMQEKSA-N 1 2 346.431 0.517 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000993345868 768831590 /nfs/dbraw/zinc/83/15/90/768831590.db2.gz VBKQSKNCBVHUPN-AHIWAGSCSA-N 1 2 329.404 0.809 20 30 ECEDLO Cc1n[nH]c(C(=O)NCC[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)c1C ZINC001055548830 769088271 /nfs/dbraw/zinc/08/82/71/769088271.db2.gz WJXUTVPCZQWSFY-LLVKDONJSA-N 1 2 346.435 0.497 20 30 ECEDLO Cc1n[nH]c(C(=O)NCC[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)c1C ZINC001055548831 769088411 /nfs/dbraw/zinc/08/84/11/769088411.db2.gz WJXUTVPCZQWSFY-NSHDSACASA-N 1 2 346.435 0.497 20 30 ECEDLO C=CCN1CC[C@@H](N2C[C@H]3CC[C@@H](C2)N3C(=O)Cn2cc[nH+]c2)C1=O ZINC001018337671 769129624 /nfs/dbraw/zinc/12/96/24/769129624.db2.gz MCAFXKWUNDIWNM-OWCLPIDISA-N 1 2 343.431 0.345 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)C[C@H]3CCOC3)C2)CC1 ZINC001018364891 769207765 /nfs/dbraw/zinc/20/77/65/769207765.db2.gz XKKPKKFKQIBGAK-IAGOWNOFSA-N 1 2 349.475 0.982 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3cccnn3)C2)CC1 ZINC001018375878 769243766 /nfs/dbraw/zinc/24/37/66/769243766.db2.gz OCFXRIXSZRXXRU-HNNXBMFYSA-N 1 2 343.431 0.659 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000993691304 769523024 /nfs/dbraw/zinc/52/30/24/769523024.db2.gz SUODTLLZLIWUIM-ZBFHGGJFSA-N 1 2 338.415 0.845 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCC[N@H+]1CC#Cc1ccccc1 ZINC000993691304 769523033 /nfs/dbraw/zinc/52/30/33/769523033.db2.gz SUODTLLZLIWUIM-ZBFHGGJFSA-N 1 2 338.415 0.845 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2nc(N(C)C)no2)C1 ZINC001078360336 782772608 /nfs/dbraw/zinc/77/26/08/782772608.db2.gz QPLPBDBULKJHLO-NWDGAFQWSA-N 1 2 336.396 0.002 20 30 ECEDLO C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001055825216 769865700 /nfs/dbraw/zinc/86/57/00/769865700.db2.gz CCBMIOWWINDACI-QGZVFWFLSA-N 1 2 334.420 0.778 20 30 ECEDLO C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001055825216 769865721 /nfs/dbraw/zinc/86/57/21/769865721.db2.gz CCBMIOWWINDACI-QGZVFWFLSA-N 1 2 334.420 0.778 20 30 ECEDLO C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C[C@@H]21 ZINC001042113874 782795491 /nfs/dbraw/zinc/79/54/91/782795491.db2.gz DVOYHODIFMRIHT-HIFRSBDPSA-N 1 2 336.457 0.367 20 30 ECEDLO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)C[C@@H]21 ZINC001042113874 782795501 /nfs/dbraw/zinc/79/55/01/782795501.db2.gz DVOYHODIFMRIHT-HIFRSBDPSA-N 1 2 336.457 0.367 20 30 ECEDLO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H]1C ZINC000994010729 770005823 /nfs/dbraw/zinc/00/58/23/770005823.db2.gz QFYCRDPCQXLDJU-TZMCWYRMSA-N 1 2 344.419 0.616 20 30 ECEDLO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H]1C ZINC000994010729 770005835 /nfs/dbraw/zinc/00/58/35/770005835.db2.gz QFYCRDPCQXLDJU-TZMCWYRMSA-N 1 2 344.419 0.616 20 30 ECEDLO N#Cc1nccnc1N1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001055940107 770297612 /nfs/dbraw/zinc/29/76/12/770297612.db2.gz FMUYFJVZJLMSGD-CYBMUJFWSA-N 1 2 337.387 0.456 20 30 ECEDLO N#Cc1cnc(N2CCN(C(=O)c3cccc4[nH+]ccn43)CC2)cn1 ZINC001055954813 770354671 /nfs/dbraw/zinc/35/46/71/770354671.db2.gz BGPQEPITPYRFTP-UHFFFAOYSA-N 1 2 333.355 0.958 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(C)n(C)n2)C1 ZINC001018985751 770483850 /nfs/dbraw/zinc/48/38/50/770483850.db2.gz COUKWJXYWSWLHX-RDJZCZTQSA-N 1 2 329.448 0.517 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001055998588 770502834 /nfs/dbraw/zinc/50/28/34/770502834.db2.gz TWOCMWGDNZAUIV-SFHVURJKSA-N 1 2 348.447 0.955 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@]1(CO)CCCN(C(=O)C#CC(C)C)C1 ZINC001056032745 770621764 /nfs/dbraw/zinc/62/17/64/770621764.db2.gz QSZSFYZPNMIMEA-GOSISDBHSA-N 1 2 346.431 0.390 20 30 ECEDLO C[C@@H](CC(=O)N1CCN(c2cnc(C#N)cn2)CC1)n1cc[nH+]c1 ZINC001056039183 770646172 /nfs/dbraw/zinc/64/61/72/770646172.db2.gz DNVZTZNNLVIPHZ-ZDUSSCGKSA-N 1 2 325.376 0.845 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC001019057695 770683043 /nfs/dbraw/zinc/68/30/43/770683043.db2.gz BLHXFHZQHFZLPO-STQMWFEESA-N 1 2 329.404 0.809 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC001019057695 770683050 /nfs/dbraw/zinc/68/30/50/770683050.db2.gz BLHXFHZQHFZLPO-STQMWFEESA-N 1 2 329.404 0.809 20 30 ECEDLO C=C(C)CCC(=O)N1CCC[C@](CO)(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001056080569 770780831 /nfs/dbraw/zinc/78/08/31/770780831.db2.gz VKNRMUPCYICFAW-KRWDZBQOSA-N 1 2 334.420 0.778 20 30 ECEDLO C#CCCCC(=O)N1CCC[C@@](CO)(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001056165305 770972184 /nfs/dbraw/zinc/97/21/84/770972184.db2.gz TVXSMSOFSFQSHC-QGZVFWFLSA-N 1 2 332.404 0.225 20 30 ECEDLO C=CCCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001056328799 771133249 /nfs/dbraw/zinc/13/32/49/771133249.db2.gz NKTAQDLDEABVHJ-ARFHVFGLSA-N 1 2 335.448 0.875 20 30 ECEDLO C=CCCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001056328799 771133252 /nfs/dbraw/zinc/13/32/52/771133252.db2.gz NKTAQDLDEABVHJ-ARFHVFGLSA-N 1 2 335.448 0.875 20 30 ECEDLO N#Cc1nccnc1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001056329998 771135879 /nfs/dbraw/zinc/13/58/79/771135879.db2.gz HEGWMWLYESITPH-FOCJUVANSA-N 1 2 349.398 0.358 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1[nH]cc[nH+]1 ZINC001056401106 771225938 /nfs/dbraw/zinc/22/59/38/771225938.db2.gz AOUXJVKJPMJNDJ-GJZGRUSLSA-N 1 2 344.415 0.584 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21 ZINC001056411009 771242687 /nfs/dbraw/zinc/24/26/87/771242687.db2.gz VRMGGAIRTGKZRZ-MAKQCAJESA-N 1 2 349.398 0.436 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)[C@H]2C1 ZINC001042187539 782908575 /nfs/dbraw/zinc/90/85/75/782908575.db2.gz NELHYOUTPOXLIQ-STQMWFEESA-N 1 2 333.436 0.743 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)[C@H]2C1 ZINC001042187539 782908579 /nfs/dbraw/zinc/90/85/79/782908579.db2.gz NELHYOUTPOXLIQ-STQMWFEESA-N 1 2 333.436 0.743 20 30 ECEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CCC(=O)N3)C2)ccc1F ZINC001031583310 771343095 /nfs/dbraw/zinc/34/30/95/771343095.db2.gz PYXNUEIJWKOFGD-OAHLLOKOSA-N 1 2 330.363 0.524 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nnc(C(C)C)o3)C2)nn1 ZINC001019483513 771347877 /nfs/dbraw/zinc/34/78/77/771347877.db2.gz SLGCWQTYELKBBU-LBPRGKRZSA-N 1 2 345.407 0.975 20 30 ECEDLO C[C@@H](C[C@H](C)Nc1ccnc(C#N)n1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001089501489 771359658 /nfs/dbraw/zinc/35/96/58/771359658.db2.gz ZGMXMOZOZNNYMN-RYUDHWBXSA-N 1 2 327.392 0.821 20 30 ECEDLO C[C@@H](C[C@H](C)Nc1ccnc(C#N)n1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001089501489 771359664 /nfs/dbraw/zinc/35/96/64/771359664.db2.gz ZGMXMOZOZNNYMN-RYUDHWBXSA-N 1 2 327.392 0.821 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC3(CN(C(=O)Cc4c[nH+]c[nH]4)C3)C2)nc1 ZINC001019495491 771363630 /nfs/dbraw/zinc/36/36/30/771363630.db2.gz DBPNSPPNNIPYSL-UHFFFAOYSA-N 1 2 349.394 0.703 20 30 ECEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@H]3CCNC(=O)C3)C2)c1 ZINC001031613354 771453786 /nfs/dbraw/zinc/45/37/86/771453786.db2.gz MBZRPGCJGREXHO-AWEZNQCLSA-N 1 2 344.390 0.772 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1C[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001056725117 771559611 /nfs/dbraw/zinc/55/96/11/771559611.db2.gz CORAMVNZJZHDLP-IJEWVQPXSA-N 1 2 344.415 0.440 20 30 ECEDLO N#Cc1cnc(N[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)cn1 ZINC001056726237 771560524 /nfs/dbraw/zinc/56/05/24/771560524.db2.gz WSXHNWXRSVOBHW-QWHCGFSZSA-N 1 2 337.387 0.820 20 30 ECEDLO Cn1nncc1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031644463 771579601 /nfs/dbraw/zinc/57/96/01/771579601.db2.gz ZMOKAWDGSYVAKK-UHFFFAOYSA-N 1 2 328.351 0.688 20 30 ECEDLO Cc1cc(C#N)nc(N2CCCN(C(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001057152167 772175895 /nfs/dbraw/zinc/17/58/95/772175895.db2.gz QDFCPPDJELPUIV-UHFFFAOYSA-N 1 2 325.376 0.592 20 30 ECEDLO C=CCCC(=O)N(CCO)CCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001057174238 772215082 /nfs/dbraw/zinc/21/50/82/772215082.db2.gz WFYCZORCOHAJEG-QGZVFWFLSA-N 1 2 348.447 0.588 20 30 ECEDLO CC#CCCCC(=O)NCCN(CCO)C(=O)CCc1[nH]cc[nH+]1 ZINC001057460080 772646644 /nfs/dbraw/zinc/64/66/44/772646644.db2.gz SSBGRBINXGGHTP-UHFFFAOYSA-N 1 2 334.420 0.473 20 30 ECEDLO N#Cc1ccc(NCC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)nn1 ZINC001057511597 772702144 /nfs/dbraw/zinc/70/21/44/772702144.db2.gz LIJJYBOMWBYQGU-UHFFFAOYSA-N 1 2 325.376 0.965 20 30 ECEDLO N#Cc1nccc(NCC2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)n1 ZINC001057551169 772747806 /nfs/dbraw/zinc/74/78/06/772747806.db2.gz HOHXLDFCZGAAIS-UHFFFAOYSA-N 1 2 339.403 0.777 20 30 ECEDLO N#Cc1nccc(NCC2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)n1 ZINC001057551169 772747808 /nfs/dbraw/zinc/74/78/08/772747808.db2.gz HOHXLDFCZGAAIS-UHFFFAOYSA-N 1 2 339.403 0.777 20 30 ECEDLO C#CCCCC(=O)NCCN(CCO)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001057609906 772810995 /nfs/dbraw/zinc/81/09/95/772810995.db2.gz VAWZFDDEBAMTDK-OAHLLOKOSA-N 1 2 334.420 0.575 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CCO)CCNC(=O)C#CC(C)(C)C ZINC001057711080 772934419 /nfs/dbraw/zinc/93/44/19/772934419.db2.gz IFYFGLMTCNEBNI-CQSZACIVSA-N 1 2 348.447 0.575 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CCO)CCNC(=O)C#CC(C)(C)C ZINC001057711080 772934422 /nfs/dbraw/zinc/93/44/22/772934422.db2.gz IFYFGLMTCNEBNI-CQSZACIVSA-N 1 2 348.447 0.575 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NCCN(CCO)C(=O)CCc1c[nH]c[nH+]1 ZINC001057901536 773160301 /nfs/dbraw/zinc/16/03/01/773160301.db2.gz WZANIBMJWDCVNX-KRWDZBQOSA-N 1 2 336.436 0.882 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NCCN(CCO)C(=O)CCc1c[nH+]c[nH]1 ZINC001057901536 773160302 /nfs/dbraw/zinc/16/03/02/773160302.db2.gz WZANIBMJWDCVNX-KRWDZBQOSA-N 1 2 336.436 0.882 20 30 ECEDLO C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001057946604 773248998 /nfs/dbraw/zinc/24/89/98/773248998.db2.gz GWRVEZNRYGJYKM-OAHLLOKOSA-N 1 2 348.447 0.739 20 30 ECEDLO C#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001057946921 773249591 /nfs/dbraw/zinc/24/95/91/773249591.db2.gz MPECIOAXUZQTNG-HNNXBMFYSA-N 1 2 346.431 0.186 20 30 ECEDLO C#CCCCCCC(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1 ZINC001057999116 773354994 /nfs/dbraw/zinc/35/49/94/773354994.db2.gz VAASEGLBSUPTHS-UHFFFAOYSA-N 1 2 334.420 0.404 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCCN(CCO)C(=O)Cc1c[nH+]cn1C ZINC001058159668 773664550 /nfs/dbraw/zinc/66/45/50/773664550.db2.gz SGCCJKGFBXKNKJ-UHFFFAOYSA-N 1 2 336.436 0.502 20 30 ECEDLO Cc1cc(C#N)nc(N2CCC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)n1 ZINC001058176585 773706891 /nfs/dbraw/zinc/70/68/91/773706891.db2.gz BJNIQIIAROTXCU-ZDUSSCGKSA-N 1 2 339.403 0.718 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCN(c2ccc(C#N)nn2)C1 ZINC001058176730 773706943 /nfs/dbraw/zinc/70/69/43/773706943.db2.gz FTMSECCEQAQTSW-CYBMUJFWSA-N 1 2 325.376 0.409 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCN(c2ccnc(C#N)n2)C1 ZINC001058181791 773718996 /nfs/dbraw/zinc/71/89/96/773718996.db2.gz HPHQFTZSFVLXCX-LBPRGKRZSA-N 1 2 325.376 0.708 20 30 ECEDLO Cc1cc(C#N)nc(N2CCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001058189923 773736528 /nfs/dbraw/zinc/73/65/28/773736528.db2.gz TYCLYVMDYAPAEB-LBPRGKRZSA-N 1 2 325.376 0.708 20 30 ECEDLO C=CCCC1(C(=O)NCCN(CCO)C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001058263615 773874567 /nfs/dbraw/zinc/87/45/67/773874567.db2.gz RVLOLVQKLPCUDY-UHFFFAOYSA-N 1 2 348.447 0.944 20 30 ECEDLO C=CCC(CC=C)C(=O)NC[C@]1(O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001039808604 783132839 /nfs/dbraw/zinc/13/28/39/783132839.db2.gz KBABHYYXBQSINX-GOSISDBHSA-N 1 2 346.431 0.731 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NC[C@]1(O)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001040635041 783146182 /nfs/dbraw/zinc/14/61/82/783146182.db2.gz DHWJBHBGXYSWCD-WMLDXEAASA-N 1 2 334.420 0.565 20 30 ECEDLO C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CN1c1nccnc1C#N ZINC001039818296 783146542 /nfs/dbraw/zinc/14/65/42/783146542.db2.gz NBYRHLQTHSBFHA-VXGBXAGGSA-N 1 2 325.376 0.788 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N(CCO)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001058463614 774232822 /nfs/dbraw/zinc/23/28/22/774232822.db2.gz CUZUSBRBINZZSA-AWEZNQCLSA-N 1 2 336.436 0.882 20 30 ECEDLO N#Cc1cncc(N2CC[C@@H](NC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)n1 ZINC001058474497 774256626 /nfs/dbraw/zinc/25/66/26/774256626.db2.gz JDZCIZHXCVCUTI-CHWSQXEVSA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1cncc(N2CC[C@@H](NC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)n1 ZINC001058474499 774256825 /nfs/dbraw/zinc/25/68/25/774256825.db2.gz JDZCIZHXCVCUTI-QWHCGFSZSA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1nccnc1N1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001058475018 774257400 /nfs/dbraw/zinc/25/74/00/774257400.db2.gz YGYUPXXBPXVIDN-OLZOCXBDSA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1nccc(N2CC[C@H](NC(=O)[C@H]3CCc4[nH+]ccn4C3)C2)n1 ZINC001058481127 774271699 /nfs/dbraw/zinc/27/16/99/774271699.db2.gz JXOMZSMVYFQJQP-STQMWFEESA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1nccnc1N1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001058481179 774272199 /nfs/dbraw/zinc/27/21/99/774272199.db2.gz LLUSPFKJAZWYNL-OLZOCXBDSA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1cnc(N2CC[C@H](NC(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)cn1 ZINC001058481395 774272234 /nfs/dbraw/zinc/27/22/34/774272234.db2.gz QUHDHQMDZSETCQ-OLZOCXBDSA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1cnc(N2CC[C@H](NC(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)cn1 ZINC001058481733 774273713 /nfs/dbraw/zinc/27/37/13/774273713.db2.gz YRGQRBQQLHNGIB-OLZOCXBDSA-N 1 2 337.387 0.502 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)c[nH+]1 ZINC001058584728 774479030 /nfs/dbraw/zinc/47/90/30/774479030.db2.gz YIRBMSKOPBIGGY-AWEZNQCLSA-N 1 2 339.403 0.983 20 30 ECEDLO N#Cc1cnc(N2C[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H](O)C2)cn1 ZINC001044767949 774590858 /nfs/dbraw/zinc/59/08/58/774590858.db2.gz PQMKOYAGIGGCOP-CABCVRRESA-N 1 2 349.354 0.204 20 30 ECEDLO C=C(C)C[NH2+][C@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H](C)C1 ZINC001044777237 774600892 /nfs/dbraw/zinc/60/08/92/774600892.db2.gz QWTRBMUCXDWNCP-STQMWFEESA-N 1 2 344.419 0.616 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001045059934 774913603 /nfs/dbraw/zinc/91/36/03/774913603.db2.gz YTDGYQCRWJWEIJ-LBPRGKRZSA-N 1 2 334.420 0.552 20 30 ECEDLO N#Cc1cnc(N2CC[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)cn1 ZINC001045061521 774917285 /nfs/dbraw/zinc/91/72/85/774917285.db2.gz ATHADYZOULZMKJ-ZFWWWQNUSA-N 1 2 337.387 0.672 20 30 ECEDLO C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001045069329 774929845 /nfs/dbraw/zinc/92/98/45/774929845.db2.gz STCOIAYUMYUDMI-CYBMUJFWSA-N 1 2 348.447 0.979 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC[C@H]1C[NH2+]Cc1nc(CC(=O)NC)no1 ZINC001045148179 775056239 /nfs/dbraw/zinc/05/62/39/775056239.db2.gz SNSGRFDZVUCJMS-LBPRGKRZSA-N 1 2 349.435 0.651 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001044010666 775505158 /nfs/dbraw/zinc/50/51/58/775505158.db2.gz AISFRPPORDPIMP-UHFFFAOYSA-N 1 2 334.420 0.254 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(C#N)n1 ZINC001045552016 775781237 /nfs/dbraw/zinc/78/12/37/775781237.db2.gz MMSSDXYALRXSMP-CHWSQXEVSA-N 1 2 339.403 0.884 20 30 ECEDLO N#Cc1nccc(N[C@@H]2CCCC[C@H]2NC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001045575352 775820867 /nfs/dbraw/zinc/82/08/67/775820867.db2.gz VMYZFYAXKVJMTD-VXGBXAGGSA-N 1 2 325.376 0.575 20 30 ECEDLO CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001045577004 775823062 /nfs/dbraw/zinc/82/30/62/775823062.db2.gz HGPGYLGAFUBUDU-AWEZNQCLSA-N 1 2 326.462 0.805 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](Cc3ccn(C)c(=O)c3)C2)nc1 ZINC001044199131 775906401 /nfs/dbraw/zinc/90/64/01/775906401.db2.gz JDEBQWTUMTWNCG-UHFFFAOYSA-N 1 2 336.395 0.718 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001044323001 776151280 /nfs/dbraw/zinc/15/12/80/776151280.db2.gz AUDPSBOTHWRFQL-UHFFFAOYSA-N 1 2 334.420 0.552 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H](CNc2nccnc2C#N)C1 ZINC001068506599 790435046 /nfs/dbraw/zinc/43/50/46/790435046.db2.gz SCRRGEMIVHKRAL-HAQNSBGRSA-N 1 2 325.376 0.631 20 30 ECEDLO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001044464284 776324786 /nfs/dbraw/zinc/32/47/86/776324786.db2.gz NDAZYSPIWKLABH-UHFFFAOYSA-N 1 2 334.420 0.565 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001079690626 776695707 /nfs/dbraw/zinc/69/57/07/776695707.db2.gz ZLUREYKSZPOQGQ-ACJLOTCBSA-N 1 2 348.447 0.975 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001079690626 776695710 /nfs/dbraw/zinc/69/57/10/776695710.db2.gz ZLUREYKSZPOQGQ-ACJLOTCBSA-N 1 2 348.447 0.975 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2nc(C)oc2C)[C@@H](n2ccnn2)C1 ZINC001070067942 790497942 /nfs/dbraw/zinc/49/79/42/790497942.db2.gz XHXXJLFYQRUFLO-KGLIPLIRSA-N 1 2 328.376 0.562 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2nc(C)oc2C)[C@@H](n2ccnn2)C1 ZINC001070067942 790497953 /nfs/dbraw/zinc/49/79/53/790497953.db2.gz XHXXJLFYQRUFLO-KGLIPLIRSA-N 1 2 328.376 0.562 20 30 ECEDLO C#CCCCCC(=O)NC1(CNC(=O)Cn2cc[nH+]c2)CCOCC1 ZINC001070081585 790538266 /nfs/dbraw/zinc/53/82/66/790538266.db2.gz DIZYMCKYMIOLOW-UHFFFAOYSA-N 1 2 346.431 0.858 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)Cc2c[nH+]cn2C)C1 ZINC001080141255 777451865 /nfs/dbraw/zinc/45/18/65/777451865.db2.gz BUACVEQULGCQSI-KRWDZBQOSA-N 1 2 334.420 0.349 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080281173 777642745 /nfs/dbraw/zinc/64/27/45/777642745.db2.gz SSWNTWLCFHBTRC-QMTHXVAHSA-N 1 2 343.366 0.471 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080281173 777642749 /nfs/dbraw/zinc/64/27/49/777642749.db2.gz SSWNTWLCFHBTRC-QMTHXVAHSA-N 1 2 343.366 0.471 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001080359370 777746836 /nfs/dbraw/zinc/74/68/36/777746836.db2.gz KOPLQDWWCHIVKG-FKTZTGRPSA-N 1 2 331.214 0.013 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001080359370 777746840 /nfs/dbraw/zinc/74/68/40/777746840.db2.gz KOPLQDWWCHIVKG-FKTZTGRPSA-N 1 2 331.214 0.013 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001080360629 777747543 /nfs/dbraw/zinc/74/75/43/777747543.db2.gz FGCOKRPHCYAMEH-VCTAVGKDSA-N 1 2 345.378 0.315 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001080360629 777747547 /nfs/dbraw/zinc/74/75/47/777747547.db2.gz FGCOKRPHCYAMEH-VCTAVGKDSA-N 1 2 345.378 0.315 20 30 ECEDLO C=C(Cl)CN1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001070088758 790564070 /nfs/dbraw/zinc/56/40/70/790564070.db2.gz DGBBPOOQFQTDIL-KGLIPLIRSA-N 1 2 349.826 0.646 20 30 ECEDLO CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001080420149 777827573 /nfs/dbraw/zinc/82/75/73/777827573.db2.gz OFVPCLXSOQZMAR-BBRMVZONSA-N 1 2 343.431 0.903 20 30 ECEDLO C#CCCCC(=O)NC1(CNC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001070092286 790574374 /nfs/dbraw/zinc/57/43/74/790574374.db2.gz UBFDJJGANSCFMC-UHFFFAOYSA-N 1 2 332.404 0.537 20 30 ECEDLO C=C(C)CCC(=O)NCC1(O)CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001043311672 778140703 /nfs/dbraw/zinc/14/07/03/778140703.db2.gz XOGBOPOJWBIGDR-UHFFFAOYSA-N 1 2 334.420 0.399 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1Nc1cncc(C#N)n1 ZINC001043580758 778544439 /nfs/dbraw/zinc/54/44/39/778544439.db2.gz WZEQBFMXYCKCGN-BXUZGUMPSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1Nc1cncc(C#N)n1 ZINC001043580758 778544445 /nfs/dbraw/zinc/54/44/45/778544445.db2.gz WZEQBFMXYCKCGN-BXUZGUMPSA-N 1 2 325.376 0.963 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H](C)CC(=C)C)C1 ZINC001043652129 778671013 /nfs/dbraw/zinc/67/10/13/778671013.db2.gz SBZQLCVOSOWGPP-CVEARBPZSA-N 1 2 347.459 0.376 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H](C)CC(=C)C)C1 ZINC001043652129 778671020 /nfs/dbraw/zinc/67/10/20/778671020.db2.gz SBZQLCVOSOWGPP-CVEARBPZSA-N 1 2 347.459 0.376 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001043701109 778743499 /nfs/dbraw/zinc/74/34/99/778743499.db2.gz YYPPQYJPCVXTJR-UHFFFAOYSA-N 1 2 348.447 0.955 20 30 ECEDLO C#CCCCC(=O)NCC1(O)CN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001042801615 780845910 /nfs/dbraw/zinc/84/59/10/780845910.db2.gz OAWXTTRAVVBKOV-AWEZNQCLSA-N 1 2 332.404 0.327 20 30 ECEDLO C[C@H](CC(=O)N1CC(O)(CNC(=O)C#CC(C)(C)C)C1)n1cc[nH+]c1 ZINC001042969986 781117859 /nfs/dbraw/zinc/11/78/59/781117859.db2.gz DXWFBIGVUNPDQK-CQSZACIVSA-N 1 2 346.431 0.573 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]2O)CC1 ZINC001077621436 781368374 /nfs/dbraw/zinc/36/83/74/781368374.db2.gz JCKCJRHMRZJXEB-HZPDHXFCSA-N 1 2 335.448 0.517 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]2O)CC1 ZINC001077621436 781368381 /nfs/dbraw/zinc/36/83/81/781368381.db2.gz JCKCJRHMRZJXEB-HZPDHXFCSA-N 1 2 335.448 0.517 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC[C@H]3C)C[C@H]2O)C1 ZINC001077640724 781407465 /nfs/dbraw/zinc/40/74/65/781407465.db2.gz MUQHEWCFSLCOEZ-BZUAXINKSA-N 1 2 349.475 0.905 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC[C@H]3C)C[C@H]2O)C1 ZINC001077640724 781407471 /nfs/dbraw/zinc/40/74/71/781407471.db2.gz MUQHEWCFSLCOEZ-BZUAXINKSA-N 1 2 349.475 0.905 20 30 ECEDLO N#Cc1ccc(NC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CCCO2)nc1 ZINC001041504223 781648401 /nfs/dbraw/zinc/64/84/01/781648401.db2.gz CGPBVDGRKLOSLD-HNNXBMFYSA-N 1 2 340.387 0.879 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001077813597 781744370 /nfs/dbraw/zinc/74/43/70/781744370.db2.gz SGTMCIBKOYTZID-GUYCJALGSA-N 1 2 336.436 0.691 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CN(c3cncc(C#N)n3)C[C@H]21 ZINC001040680294 783243226 /nfs/dbraw/zinc/24/32/26/783243226.db2.gz QGPITTHMYGWRGC-SWLSCSKDSA-N 1 2 337.387 0.660 20 30 ECEDLO CC(C)(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040696154 783285716 /nfs/dbraw/zinc/28/57/16/783285716.db2.gz YXFQNVUNOZPADA-QGZVFWFLSA-N 1 2 332.404 0.081 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1CCCNC1=O ZINC001039923130 783299003 /nfs/dbraw/zinc/29/90/03/783299003.db2.gz OCOJCLWDDCHCDK-JJTUDDRGSA-N 1 2 347.459 0.921 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1CCCNC1=O ZINC001039923130 783299010 /nfs/dbraw/zinc/29/90/10/783299010.db2.gz OCOJCLWDDCHCDK-JJTUDDRGSA-N 1 2 347.459 0.921 20 30 ECEDLO Cc1nc(N[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@H]2C)ccc1C#N ZINC001040071012 783483834 /nfs/dbraw/zinc/48/38/34/783483834.db2.gz SSVVXKBGSVJIQZ-BPUTZDHNSA-N 1 2 343.431 0.994 20 30 ECEDLO Cc1nc(N[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H]2C)ccc1C#N ZINC001040071012 783483840 /nfs/dbraw/zinc/48/38/40/783483840.db2.gz SSVVXKBGSVJIQZ-BPUTZDHNSA-N 1 2 343.431 0.994 20 30 ECEDLO C[C@H]1[C@@H](Nc2ccc(C#N)nn2)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001040071050 783483907 /nfs/dbraw/zinc/48/39/07/783483907.db2.gz UYLOFPTYLSCETA-UBHSHLNASA-N 1 2 330.392 0.080 20 30 ECEDLO C[C@H]1[C@@H](Nc2ccc(C#N)nn2)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001040071050 783483911 /nfs/dbraw/zinc/48/39/11/783483911.db2.gz UYLOFPTYLSCETA-UBHSHLNASA-N 1 2 330.392 0.080 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001040813327 783489747 /nfs/dbraw/zinc/48/97/47/783489747.db2.gz PEJSCNNKZLUFIU-MSOLQXFVSA-N 1 2 348.447 0.645 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)c2cc(C)nn2C)C1=O ZINC001038089757 783839863 /nfs/dbraw/zinc/83/98/63/783839863.db2.gz OAZZZZNLHNYWFX-KGLIPLIRSA-N 1 2 331.420 0.320 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)c2cc(C)nn2C)C1=O ZINC001038089757 783839867 /nfs/dbraw/zinc/83/98/67/783839867.db2.gz OAZZZZNLHNYWFX-KGLIPLIRSA-N 1 2 331.420 0.320 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)c2cc(C)nn2C)C1=O ZINC001038089756 783840012 /nfs/dbraw/zinc/84/00/12/783840012.db2.gz OAZZZZNLHNYWFX-KBPBESRZSA-N 1 2 331.420 0.320 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)c2cc(C)nn2C)C1=O ZINC001038089756 783840015 /nfs/dbraw/zinc/84/00/15/783840015.db2.gz OAZZZZNLHNYWFX-KBPBESRZSA-N 1 2 331.420 0.320 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)c2cccc(=O)[nH]2)C1=O ZINC001038134942 783901183 /nfs/dbraw/zinc/90/11/83/783901183.db2.gz URCXTCLJEPBIDF-JSGCOSHPSA-N 1 2 330.388 0.378 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)c2cccc(=O)[nH]2)C1=O ZINC001038134942 783901190 /nfs/dbraw/zinc/90/11/90/783901190.db2.gz URCXTCLJEPBIDF-JSGCOSHPSA-N 1 2 330.388 0.378 20 30 ECEDLO CC(=O)N1CC(C(=O)NC[C@H]2CC[N@@H+]2CC#Cc2ccccc2)C1 ZINC001038188113 783970635 /nfs/dbraw/zinc/97/06/35/783970635.db2.gz CBDMGHKJCQCNRO-GOSISDBHSA-N 1 2 325.412 0.707 20 30 ECEDLO CC(=O)N1CC(C(=O)NC[C@H]2CC[N@H+]2CC#Cc2ccccc2)C1 ZINC001038188113 783970639 /nfs/dbraw/zinc/97/06/39/783970639.db2.gz CBDMGHKJCQCNRO-GOSISDBHSA-N 1 2 325.412 0.707 20 30 ECEDLO CC(=O)N1CC(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)c(F)c2)C1 ZINC001038193546 783979658 /nfs/dbraw/zinc/97/96/58/783979658.db2.gz SYPMEVGMOUYVBO-MRXNPFEDSA-N 1 2 344.390 0.866 20 30 ECEDLO CC(=O)N1CC(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)c(F)c2)C1 ZINC001038193546 783979665 /nfs/dbraw/zinc/97/96/65/783979665.db2.gz SYPMEVGMOUYVBO-MRXNPFEDSA-N 1 2 344.390 0.866 20 30 ECEDLO CC#CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCO1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070440315 784076839 /nfs/dbraw/zinc/07/68/39/784076839.db2.gz DNPOWASTDLSHJV-CABCVRRESA-N 1 2 343.431 0.543 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1ccoc1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070440032 784076956 /nfs/dbraw/zinc/07/69/56/784076956.db2.gz ABXBJHZZKPGRES-CQSZACIVSA-N 1 2 325.372 0.881 20 30 ECEDLO O=C(C#CC1CC1)N[C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001070914333 784105928 /nfs/dbraw/zinc/10/59/28/784105928.db2.gz PINRLHHCKHMTEP-HZPDHXFCSA-N 1 2 340.427 0.966 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1nccs1)C[C@H]2c1nnc(C)[nH]1 ZINC001070450604 784110949 /nfs/dbraw/zinc/11/09/49/784110949.db2.gz LMOGMEHHYARHJZ-LBPRGKRZSA-N 1 2 342.428 0.744 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001070932666 784146738 /nfs/dbraw/zinc/14/67/38/784146738.db2.gz BBPAZGGIVPZMBN-MRXNPFEDSA-N 1 2 346.431 0.810 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccnc(F)c2)CC1 ZINC001070947374 784194099 /nfs/dbraw/zinc/19/40/99/784194099.db2.gz TZPUTEHJQAVJCM-UHFFFAOYSA-N 1 2 332.379 0.508 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccnc(F)c2)CC1 ZINC001070947374 784194100 /nfs/dbraw/zinc/19/41/00/784194100.db2.gz TZPUTEHJQAVJCM-UHFFFAOYSA-N 1 2 332.379 0.508 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)Cc2ccn(CC)n2)CC1 ZINC001070965572 784251750 /nfs/dbraw/zinc/25/17/50/784251750.db2.gz JCVLDMKEMXYIDE-UHFFFAOYSA-N 1 2 347.463 0.672 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)Cc2ccn(CC)n2)CC1 ZINC001070965572 784251755 /nfs/dbraw/zinc/25/17/55/784251755.db2.gz JCVLDMKEMXYIDE-UHFFFAOYSA-N 1 2 347.463 0.672 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2cnn3c2CCC3)CC1 ZINC001070969479 784265228 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/nfs/dbraw/zinc/32/60/41/784326041.db2.gz WWMCJQUAHRUBKX-KBPBESRZSA-N 1 2 348.451 0.465 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(C3CC3)n[nH]2)CC1 ZINC001071001992 784377698 /nfs/dbraw/zinc/37/76/98/784377698.db2.gz WOVGBUJWHKOQCG-UHFFFAOYSA-N 1 2 343.431 0.575 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C3CC3)n[nH]2)CC1 ZINC001071001992 784377703 /nfs/dbraw/zinc/37/77/03/784377703.db2.gz WOVGBUJWHKOQCG-UHFFFAOYSA-N 1 2 343.431 0.575 20 30 ECEDLO C=C(Cl)CN1CCNC(=O)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001071004399 784380132 /nfs/dbraw/zinc/38/01/32/784380132.db2.gz DJIVDPLKSCNVIS-UHFFFAOYSA-N 1 2 339.827 0.355 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2c(C)n[nH]c2C)CC1 ZINC001071009270 784397528 /nfs/dbraw/zinc/39/75/28/784397528.db2.gz ILVBHCMOMMPQQJ-UHFFFAOYSA-N 1 2 333.436 0.867 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2c(C)n[nH]c2C)CC1 ZINC001071009270 784397536 /nfs/dbraw/zinc/39/75/36/784397536.db2.gz ILVBHCMOMMPQQJ-UHFFFAOYSA-N 1 2 333.436 0.867 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2cnc(OC)nc2)CC1 ZINC001071014300 784416099 /nfs/dbraw/zinc/41/60/99/784416099.db2.gz HSXLYRWEKCSTCY-UHFFFAOYSA-N 1 2 347.419 0.325 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2cnc(OC)nc2)CC1 ZINC001071014300 784416104 /nfs/dbraw/zinc/41/61/04/784416104.db2.gz HSXLYRWEKCSTCY-UHFFFAOYSA-N 1 2 347.419 0.325 20 30 ECEDLO C=C[C@H](C(=O)N1CCC(=O)NCC[N@@H+](CCO)CC1)c1ccccc1 ZINC001071021939 784443669 /nfs/dbraw/zinc/44/36/69/784443669.db2.gz MTUYSOKURQFAIR-KRWDZBQOSA-N 1 2 345.443 0.599 20 30 ECEDLO C=C[C@H](C(=O)N1CCC(=O)NCC[N@H+](CCO)CC1)c1ccccc1 ZINC001071021939 784443674 /nfs/dbraw/zinc/44/36/74/784443674.db2.gz MTUYSOKURQFAIR-KRWDZBQOSA-N 1 2 345.443 0.599 20 30 ECEDLO Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2cncn2C)o1 ZINC001070630077 784461212 /nfs/dbraw/zinc/46/12/12/784461212.db2.gz BPWURBXTRODWRA-MRVWCRGKSA-N 1 2 342.403 0.960 20 30 ECEDLO C=CCCOCC(=O)N[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001071057192 784493827 /nfs/dbraw/zinc/49/38/27/784493827.db2.gz GTXLSPWMSRSSJW-CQSZACIVSA-N 1 2 334.420 0.961 20 30 ECEDLO Cn1cc(Cl)c(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)n1 ZINC001070652496 784500022 /nfs/dbraw/zinc/50/00/22/784500022.db2.gz XLFLFIQMRURZAR-ZYHUDNBSSA-N 1 2 347.810 0.528 20 30 ECEDLO CCc1c[nH]c(CC(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)n1 ZINC001070656624 784508560 /nfs/dbraw/zinc/50/85/60/784508560.db2.gz RYYBPLBUONEGDE-ZIAGYGMSSA-N 1 2 341.419 0.356 20 30 ECEDLO COc1cc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)ccn1 ZINC001070663048 784520141 /nfs/dbraw/zinc/52/01/41/784520141.db2.gz JUUFLIZVZHFINZ-ZIAGYGMSSA-N 1 2 340.387 0.545 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cnn(CCF)c2)C[C@H]1NCC#N ZINC001070662500 784520154 /nfs/dbraw/zinc/52/01/54/784520154.db2.gz VOPFWSYNFLUQGI-ZIAGYGMSSA-N 1 2 345.382 0.307 20 30 ECEDLO Cc1ccn(CC(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)n1 ZINC001070690733 784558770 /nfs/dbraw/zinc/55/87/70/784558770.db2.gz KBURBHPSVDMEFI-ZIAGYGMSSA-N 1 2 327.392 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VKYGLNRCSGKRTA-AWEZNQCLSA-N 1 2 330.388 0.447 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3cnsn3)C2)C(=O)C1 ZINC001071255764 784852822 /nfs/dbraw/zinc/85/28/22/784852822.db2.gz VPHFJBVVDAKLEI-ZDUSSCGKSA-N 1 2 347.444 0.310 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3cnsn3)C2)C(=O)C1 ZINC001071255764 784852827 /nfs/dbraw/zinc/85/28/27/784852827.db2.gz VPHFJBVVDAKLEI-ZDUSSCGKSA-N 1 2 347.444 0.310 20 30 ECEDLO CC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)C(=O)C1 ZINC001071258578 784865211 /nfs/dbraw/zinc/86/52/11/784865211.db2.gz LBLMKQROSDSBQZ-OAHLLOKOSA-N 1 2 329.404 0.655 20 30 ECEDLO CC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)C(=O)C1 ZINC001071258578 784865219 /nfs/dbraw/zinc/86/52/19/784865219.db2.gz LBLMKQROSDSBQZ-OAHLLOKOSA-N 1 2 329.404 0.655 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)C3=CCOCC3)C2)C(=O)C1 ZINC001071262931 784879259 /nfs/dbraw/zinc/87/92/59/784879259.db2.gz XIVHOZIAOUCQCL-KRWDZBQOSA-N 1 2 345.443 0.492 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)C3=CCOCC3)C2)C(=O)C1 ZINC001071262931 784879269 /nfs/dbraw/zinc/87/92/69/784879269.db2.gz XIVHOZIAOUCQCL-KRWDZBQOSA-N 1 2 345.443 0.492 20 30 ECEDLO O=C(C#CC1CC1)N1CCC[C@H](N2CC[N@@H+](CCCF)CC2=O)C1 ZINC001071263765 784880573 /nfs/dbraw/zinc/88/05/73/784880573.db2.gz FIJBRSRBZZSKEM-INIZCTEOSA-N 1 2 335.423 0.895 20 30 ECEDLO O=C(C#CC1CC1)N1CCC[C@H](N2CC[N@H+](CCCF)CC2=O)C1 ZINC001071263765 784880579 /nfs/dbraw/zinc/88/05/79/784880579.db2.gz FIJBRSRBZZSKEM-INIZCTEOSA-N 1 2 335.423 0.895 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@H](OC)C3CC3)C2)C(=O)C1 ZINC001071264222 784884236 /nfs/dbraw/zinc/88/42/36/784884236.db2.gz QYFSMGLLFQXKMZ-FUHWJXTLSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@H](OC)C3CC3)C2)C(=O)C1 ZINC001071264222 784884243 /nfs/dbraw/zinc/88/42/43/784884243.db2.gz QYFSMGLLFQXKMZ-FUHWJXTLSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)Cc3cnoc3)C2)C(=O)C1 ZINC001071271047 784902875 /nfs/dbraw/zinc/90/28/75/784902875.db2.gz UICHAMXDLPVLQE-INIZCTEOSA-N 1 2 344.415 0.376 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)Cc3cnoc3)C2)C(=O)C1 ZINC001071271047 784902882 /nfs/dbraw/zinc/90/28/82/784902882.db2.gz UICHAMXDLPVLQE-INIZCTEOSA-N 1 2 344.415 0.376 20 30 ECEDLO C=CCN1CCN([C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C(=O)C1 ZINC001071276019 784919077 /nfs/dbraw/zinc/91/90/77/784919077.db2.gz WVNWQACMXJBSIY-CQSZACIVSA-N 1 2 331.420 0.273 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C2CC(=O)NC(=O)C2)CC[C@H]1C ZINC001071894235 785286447 /nfs/dbraw/zinc/28/64/47/785286447.db2.gz XJSAFZLMRCWCQC-ZYHUDNBSSA-N 1 2 327.812 0.761 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C2CC(=O)NC(=O)C2)CC[C@H]1C ZINC001071894235 785286454 /nfs/dbraw/zinc/28/64/54/785286454.db2.gz XJSAFZLMRCWCQC-ZYHUDNBSSA-N 1 2 327.812 0.761 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)CC[C@H]1C ZINC001071969019 785439268 /nfs/dbraw/zinc/43/92/68/785439268.db2.gz YFOMKNYJVLZGNO-NEPJUHHUSA-N 1 2 342.827 0.650 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)CC[C@H]1C ZINC001071969019 785439275 /nfs/dbraw/zinc/43/92/75/785439275.db2.gz YFOMKNYJVLZGNO-NEPJUHHUSA-N 1 2 342.827 0.650 20 30 ECEDLO C=CCCOCC(=O)N[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001071998134 785500800 /nfs/dbraw/zinc/50/08/00/785500800.db2.gz DAAVEFRYNQZHDR-ZIAGYGMSSA-N 1 2 334.420 0.898 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3cnnn3C)C2)nc1 ZINC001072000352 785505034 /nfs/dbraw/zinc/50/50/34/785505034.db2.gz WJOUCCCEFAAOBN-ZFWWWQNUSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3cnnn3C)C2)nc1 ZINC001072000352 785505039 /nfs/dbraw/zinc/50/50/39/785505039.db2.gz WJOUCCCEFAAOBN-ZFWWWQNUSA-N 1 2 338.415 0.974 20 30 ECEDLO C[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001072059935 785596340 /nfs/dbraw/zinc/59/63/40/785596340.db2.gz JDVIGDYBFDSCHS-DZGCQCFKSA-N 1 2 330.432 0.975 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001072429717 786170741 /nfs/dbraw/zinc/17/07/41/786170741.db2.gz KBZHWWSVBKMCCT-UKRRQHHQSA-N 1 2 330.432 0.975 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3ccnn3C)C[C@H]21 ZINC001074260516 786536894 /nfs/dbraw/zinc/53/68/94/786536894.db2.gz XHDYBVFCKZBSGG-IAGOWNOFSA-N 1 2 330.432 0.678 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3ccnn3C)C[C@H]21 ZINC001074260516 786536898 /nfs/dbraw/zinc/53/68/98/786536898.db2.gz XHDYBVFCKZBSGG-IAGOWNOFSA-N 1 2 330.432 0.678 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N2CC[C@@H]3OCCN(CC#N)[C@H]3C2)c[nH+]1 ZINC001074275936 786568461 /nfs/dbraw/zinc/56/84/61/786568461.db2.gz CVLPFDPXSGEZGV-GJZGRUSLSA-N 1 2 331.420 0.752 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C[C@H]21 ZINC001074289275 786603905 /nfs/dbraw/zinc/60/39/05/786603905.db2.gz QGGTXDNTQMMQGY-CVEARBPZSA-N 1 2 344.415 0.063 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)cn3C)C[C@H]21 ZINC001074289275 786603911 /nfs/dbraw/zinc/60/39/11/786603911.db2.gz QGGTXDNTQMMQGY-CVEARBPZSA-N 1 2 344.415 0.063 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnc4nccn4c3)C[C@H]21 ZINC001074292546 786610899 /nfs/dbraw/zinc/61/08/99/786610899.db2.gz XFKIIAKJKKJUJH-HZPDHXFCSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnc4nccn4c3)C[C@H]21 ZINC001074292546 786610907 /nfs/dbraw/zinc/61/09/07/786610907.db2.gz XFKIIAKJKKJUJH-HZPDHXFCSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc(OC)n(C)n3)C[C@H]21 ZINC001074294110 786614532 /nfs/dbraw/zinc/61/45/32/786614532.db2.gz IQIFOGYNIHZMCP-HUUCEWRRSA-N 1 2 332.404 0.367 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc(OC)n(C)n3)C[C@H]21 ZINC001074294110 786614538 /nfs/dbraw/zinc/61/45/38/786614538.db2.gz IQIFOGYNIHZMCP-HUUCEWRRSA-N 1 2 332.404 0.367 20 30 ECEDLO Cn1ccc(C[N@@H+]2CCCO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001073565225 786622016 /nfs/dbraw/zinc/62/20/16/786622016.db2.gz CVEMJPVRTLSZOB-HNNXBMFYSA-N 1 2 342.403 0.641 20 30 ECEDLO Cn1ccc(C[N@H+]2CCCO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001073565225 786622018 /nfs/dbraw/zinc/62/20/18/786622018.db2.gz CVEMJPVRTLSZOB-HNNXBMFYSA-N 1 2 342.403 0.641 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3cnn(C)n3)C[C@H]21 ZINC001074340343 786708302 /nfs/dbraw/zinc/70/83/02/786708302.db2.gz ICTZNQDLJMCWIW-HZPDHXFCSA-N 1 2 331.420 0.073 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3cnn(C)n3)C[C@H]21 ZINC001074340343 786708308 /nfs/dbraw/zinc/70/83/08/786708308.db2.gz ICTZNQDLJMCWIW-HZPDHXFCSA-N 1 2 331.420 0.073 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(CCC=C)nn3)C[C@@H]21 ZINC001074353831 786738241 /nfs/dbraw/zinc/73/82/41/786738241.db2.gz HIIUFNMKSRYNQA-DLBZAZTESA-N 1 2 343.431 0.793 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(CCC=C)nn3)C[C@@H]21 ZINC001074353831 786738249 /nfs/dbraw/zinc/73/82/49/786738249.db2.gz HIIUFNMKSRYNQA-DLBZAZTESA-N 1 2 343.431 0.793 20 30 ECEDLO C=CCOCC(=O)N1C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]2C1 ZINC001074358856 786747581 /nfs/dbraw/zinc/74/75/81/786747581.db2.gz STZHZPCWDNEKPL-GASCZTMLSA-N 1 2 346.431 0.852 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3ncccn3)C[C@H]21 ZINC001074365987 786768917 /nfs/dbraw/zinc/76/89/17/786768917.db2.gz MJNUZYRQZUASJP-HZPDHXFCSA-N 1 2 328.416 0.734 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3ncccn3)C[C@H]21 ZINC001074365987 786768920 /nfs/dbraw/zinc/76/89/20/786768920.db2.gz MJNUZYRQZUASJP-HZPDHXFCSA-N 1 2 328.416 0.734 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cccn(C)c3=O)C[C@@H]21 ZINC001074383396 786815251 /nfs/dbraw/zinc/81/52/51/786815251.db2.gz ZESIUPLTAHXUQF-HOTGVXAUSA-N 1 2 329.400 0.324 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccn(C)c3=O)C[C@@H]21 ZINC001074383396 786815266 /nfs/dbraw/zinc/81/52/66/786815266.db2.gz ZESIUPLTAHXUQF-HOTGVXAUSA-N 1 2 329.400 0.324 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@@H]2C1 ZINC001074393035 786836667 /nfs/dbraw/zinc/83/66/67/786836667.db2.gz UYUQDZCKXPHTTF-MSOLQXFVSA-N 1 2 328.412 0.504 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@@H]2C1 ZINC001074393035 786836677 /nfs/dbraw/zinc/83/66/77/786836677.db2.gz UYUQDZCKXPHTTF-MSOLQXFVSA-N 1 2 328.412 0.504 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H]2OCC[N@@H+](CCO)[C@H]2C1 ZINC001074393037 786836952 /nfs/dbraw/zinc/83/69/52/786836952.db2.gz UYUQDZCKXPHTTF-ROUUACIJSA-N 1 2 328.412 0.504 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H]2OCC[N@H+](CCO)[C@H]2C1 ZINC001074393037 786836962 /nfs/dbraw/zinc/83/69/62/786836962.db2.gz UYUQDZCKXPHTTF-ROUUACIJSA-N 1 2 328.412 0.504 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cncc(C(N)=O)c3)C[C@H]21 ZINC001074405061 786876198 /nfs/dbraw/zinc/87/61/98/786876198.db2.gz LNAVJKORLBOENT-CVEARBPZSA-N 1 2 342.399 0.119 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cncc(C(N)=O)c3)C[C@H]21 ZINC001074405061 786876209 /nfs/dbraw/zinc/87/62/09/786876209.db2.gz LNAVJKORLBOENT-CVEARBPZSA-N 1 2 342.399 0.119 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3c(C)csc3=O)C[C@@H]21 ZINC001074404988 786876311 /nfs/dbraw/zinc/87/63/11/786876311.db2.gz KSVYGWULJGXKNC-LSDHHAIUSA-N 1 2 349.456 0.543 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3c(C)csc3=O)C[C@@H]21 ZINC001074404988 786876323 /nfs/dbraw/zinc/87/63/23/786876323.db2.gz KSVYGWULJGXKNC-LSDHHAIUSA-N 1 2 349.456 0.543 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21 ZINC001074408525 786889645 /nfs/dbraw/zinc/88/96/45/786889645.db2.gz XMRJWVOROVNUPD-HOTGVXAUSA-N 1 2 331.416 0.726 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21 ZINC001074408525 786889659 /nfs/dbraw/zinc/88/96/59/786889659.db2.gz XMRJWVOROVNUPD-HOTGVXAUSA-N 1 2 331.416 0.726 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3cn(C)nn3)C[C@H]21 ZINC001074419311 786928144 /nfs/dbraw/zinc/92/81/44/786928144.db2.gz JUIWSZNZZJLESQ-HZPDHXFCSA-N 1 2 333.436 0.626 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3cn(C)nn3)C[C@H]21 ZINC001074419311 786928147 /nfs/dbraw/zinc/92/81/47/786928147.db2.gz JUIWSZNZZJLESQ-HZPDHXFCSA-N 1 2 333.436 0.626 20 30 ECEDLO C#CCN1CCCO[C@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001073690759 786976800 /nfs/dbraw/zinc/97/68/00/786976800.db2.gz GNXRMUYDLRZLHD-MRXNPFEDSA-N 1 2 339.399 0.721 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)[C@H](C)CC)CC1 ZINC001074486066 787045937 /nfs/dbraw/zinc/04/59/37/787045937.db2.gz QMFGOVDGTIMQDZ-CVEARBPZSA-N 1 2 349.475 0.600 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)[C@H](C)CC)CC1 ZINC001074486066 787045947 /nfs/dbraw/zinc/04/59/47/787045947.db2.gz QMFGOVDGTIMQDZ-CVEARBPZSA-N 1 2 349.475 0.600 20 30 ECEDLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1NC(=O)CSCC#N ZINC001073744033 787105172 /nfs/dbraw/zinc/10/51/72/787105172.db2.gz HUBIFVOEZVOTLL-OLZOCXBDSA-N 1 2 335.433 0.493 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001073820352 787264268 /nfs/dbraw/zinc/26/42/68/787264268.db2.gz RKHRKBLWEUKGND-HIFRSBDPSA-N 1 2 334.420 0.518 20 30 ECEDLO CC(C)C#CC(=O)NCC1(O)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001074567505 787279735 /nfs/dbraw/zinc/27/97/35/787279735.db2.gz NSKMEGAVWAALAH-UHFFFAOYSA-N 1 2 346.431 0.471 20 30 ECEDLO C#CCCCC(=O)NCC1(O)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001074657514 787525408 /nfs/dbraw/zinc/52/54/08/787525408.db2.gz OZJCAZZYPUECBT-UHFFFAOYSA-N 1 2 346.431 0.534 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001073927006 787539314 /nfs/dbraw/zinc/53/93/14/787539314.db2.gz NMKHYNIUQSJXKI-GJZGRUSLSA-N 1 2 346.431 0.735 20 30 ECEDLO C=CCCC(=O)NCC1(O)CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001074669661 787547713 /nfs/dbraw/zinc/54/77/13/787547713.db2.gz XOCWSNRMIWMKJW-UHFFFAOYSA-N 1 2 348.447 0.789 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001074025629 787714061 /nfs/dbraw/zinc/71/40/61/787714061.db2.gz WBARVQUWHXTJRR-UKRRQHHQSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001074025629 787714065 /nfs/dbraw/zinc/71/40/65/787714065.db2.gz WBARVQUWHXTJRR-UKRRQHHQSA-N 1 2 334.420 0.898 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CCC(C)(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001073028015 789302320 /nfs/dbraw/zinc/30/23/20/789302320.db2.gz YCYJLGFHXGOVJW-AWEZNQCLSA-N 1 2 346.431 0.878 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCC(C)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001073028936 789304368 /nfs/dbraw/zinc/30/43/68/789304368.db2.gz GHCUCHLQAYEKCZ-CYBMUJFWSA-N 1 2 332.404 0.488 20 30 ECEDLO C=CCn1cc(C(=O)N2CC3(C2)CC[N@H+](Cc2ccon2)C3)nn1 ZINC001073043331 789335606 /nfs/dbraw/zinc/33/56/06/789335606.db2.gz UAJYYDJAPPIDKH-UHFFFAOYSA-N 1 2 328.376 0.800 20 30 ECEDLO C=CCn1cc(C(=O)N2CC3(C2)CC[N@@H+](Cc2ccon2)C3)nn1 ZINC001073043331 789335614 /nfs/dbraw/zinc/33/56/14/789335614.db2.gz UAJYYDJAPPIDKH-UHFFFAOYSA-N 1 2 328.376 0.800 20 30 ECEDLO C=CCOCC(=O)N1CCC(CC)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001069249007 789700487 /nfs/dbraw/zinc/70/04/87/789700487.db2.gz ADWJPDPRKJGMAR-UHFFFAOYSA-N 1 2 334.420 0.973 20 30 ECEDLO N#Cc1nccc(N2CC[C@]3(NC(=O)Cn4cc[nH+]c4)CCC[C@H]23)n1 ZINC001069269129 789720111 /nfs/dbraw/zinc/72/01/11/789720111.db2.gz QLHYHIQWMAQGJU-SUMWQHHRSA-N 1 2 337.387 0.863 20 30 ECEDLO CC1(C)CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1NC(=O)CSCC#N ZINC001073318561 789729943 /nfs/dbraw/zinc/72/99/43/789729943.db2.gz RICYPYPQYUHEQS-CYBMUJFWSA-N 1 2 349.460 0.883 20 30 ECEDLO CCC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCN(C(=O)C#CC2CC2)CC1 ZINC001069363491 789773531 /nfs/dbraw/zinc/77/35/31/789773531.db2.gz IHGATOQRRONRKA-MRXNPFEDSA-N 1 2 347.459 0.618 20 30 ECEDLO CCC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN(C(=O)C#CC2CC2)CC1 ZINC001069363491 789773537 /nfs/dbraw/zinc/77/35/37/789773537.db2.gz IHGATOQRRONRKA-MRXNPFEDSA-N 1 2 347.459 0.618 20 30 ECEDLO C#CCCCC(=O)N[C@H]1COC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001068836581 791229943 /nfs/dbraw/zinc/22/99/43/791229943.db2.gz JHOSSACATWWFJE-CYBMUJFWSA-N 1 2 330.388 0.242 20 30 ECEDLO C[C@H]1[C@H](Nc2ccnc(C#N)n2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001068872097 791315416 /nfs/dbraw/zinc/31/54/16/791315416.db2.gz FFFPVJMWSLCCLT-WCQYABFASA-N 1 2 325.376 0.148 20 30 ECEDLO C=CCCOCC(=O)N1CC2(C1)C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)CO2 ZINC001068984071 791549880 /nfs/dbraw/zinc/54/98/80/791549880.db2.gz PHVJXPGWWSUTOE-CYBMUJFWSA-N 1 2 348.403 0.031 20 30 ECEDLO C=C(C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)CO2 ZINC001068984633 791550674 /nfs/dbraw/zinc/55/06/74/791550674.db2.gz UKBDERCRINWZIF-CYBMUJFWSA-N 1 2 332.404 0.795 20 30 ECEDLO C[C@H](C#N)C(=O)N[C@@H]1COC2(CN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001069004648 791577946 /nfs/dbraw/zinc/57/79/46/791577946.db2.gz YAZUHXLVUPOVAU-KGLIPLIRSA-N 1 2 345.403 0.309 20 30 ECEDLO C=CCCOCC(=O)N1CC2(C1)C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)CO2 ZINC001069058079 791662897 /nfs/dbraw/zinc/66/28/97/791662897.db2.gz WGXBIBRDXYBKNB-CQSZACIVSA-N 1 2 348.403 0.031 20 30 ECEDLO C=CCO[C@@H](C)C(=O)N1CC2(C1)C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)CO2 ZINC001069057407 791663135 /nfs/dbraw/zinc/66/31/35/791663135.db2.gz GCMWKQGMVITWEY-GXTWGEPZSA-N 1 2 348.403 0.029 20 30 ECEDLO N#Cc1cccnc1NC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001066686947 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20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(c3ccncc3C#N)CC2)C1 ZINC001066697742 792015480 /nfs/dbraw/zinc/01/54/80/792015480.db2.gz BRIGZBHASGCXPH-ZBFHGGJFSA-N 1 2 338.415 0.836 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(c3cnc(F)cn3)CC2)C1 ZINC001066698586 792017916 /nfs/dbraw/zinc/01/79/16/792017916.db2.gz NCGSUXDMMXSXJL-CHWSQXEVSA-N 1 2 332.383 0.498 20 30 ECEDLO C[C@H]1C[C@@H]1C(=O)N1CC[C@H]([NH+]2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001066701446 792029146 /nfs/dbraw/zinc/02/91/46/792029146.db2.gz XSHMIPTYELCEBP-BPUTZDHNSA-N 1 2 340.431 0.727 20 30 ECEDLO CC1(C(=O)N2CC[C@H]([NH+]3CCN(c4nccnc4C#N)CC3)C2)CC1 ZINC001066707974 792035372 /nfs/dbraw/zinc/03/53/72/792035372.db2.gz CSTOFDPYZMQTDR-AWEZNQCLSA-N 1 2 340.431 0.871 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C)c1cncc(C#N)n1 ZINC001067767487 792255342 /nfs/dbraw/zinc/25/53/42/792255342.db2.gz BYVFIDOTPWEDCA-AWEZNQCLSA-N 1 2 339.403 0.752 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)CCCN(C)C(=O)Cc2c[nH+]c[nH]2)cn1 ZINC001067870519 792399763 /nfs/dbraw/zinc/39/97/63/792399763.db2.gz GBQHLYLKEUXPII-UHFFFAOYSA-N 1 2 339.399 0.949 20 30 ECEDLO C[C@@H]1CCN(c2cnc(C#N)cn2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001067963145 792512388 /nfs/dbraw/zinc/51/23/88/792512388.db2.gz KQVDHALSEUNWSD-IUODEOHRSA-N 1 2 339.403 0.655 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1Nc1cncc(C#N)n1 ZINC001067085164 792684448 /nfs/dbraw/zinc/68/44/48/792684448.db2.gz WUBAUOVYMYJBJH-AAEUAGOBSA-N 1 2 325.376 0.963 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CN(c2nccnc2C#N)CC1(C)C ZINC001068115042 792696542 /nfs/dbraw/zinc/69/65/42/792696542.db2.gz BGKQRBRYCRGYIS-AWEZNQCLSA-N 1 2 339.403 0.655 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@H](Nc2nccnc2C#N)C1 ZINC001067126201 792725940 /nfs/dbraw/zinc/72/59/40/792725940.db2.gz BCZSNBQJCXRPJG-IINYFYTJSA-N 1 2 325.376 0.881 20 30 ECEDLO C[C@H](Nc1ccc(C#N)nn1)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001068234510 792885187 /nfs/dbraw/zinc/88/51/87/792885187.db2.gz HVWJBOVVVBPRJC-GXTWGEPZSA-N 1 2 341.375 0.273 20 30 ECEDLO C[C@@H](Nc1ccncc1C#N)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001068235314 792890067 /nfs/dbraw/zinc/89/00/67/792890067.db2.gz RRXDGXSGLQDEEG-CJNGLKHVSA-N 1 2 340.387 0.300 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](CNc2ccnc(C#N)n2)C[C@@H]1C ZINC001068342834 793085849 /nfs/dbraw/zinc/08/58/49/793085849.db2.gz ZSGYLCZMHDKCBJ-AAEUAGOBSA-N 1 2 339.403 0.693 20 30 ECEDLO C[C@@H]1CN(c2cnc(C#N)cn2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067441233 793164552 /nfs/dbraw/zinc/16/45/52/793164552.db2.gz WSLJXBPCBUQAQU-BXUZGUMPSA-N 1 2 325.376 0.645 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CCOC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001068435651 793310318 /nfs/dbraw/zinc/31/03/18/793310318.db2.gz WCZPCDMMNSGHRA-AWEZNQCLSA-N 1 2 346.431 0.994 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(CCC)C(=O)c2csnn2)C1 ZINC001267475041 837503592 /nfs/dbraw/zinc/50/35/92/837503592.db2.gz MHSHGTBHRLRSOZ-QWHCGFSZSA-N 1 2 349.460 0.603 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(CCC)C(=O)c2csnn2)C1 ZINC001267475041 837503598 /nfs/dbraw/zinc/50/35/98/837503598.db2.gz MHSHGTBHRLRSOZ-QWHCGFSZSA-N 1 2 349.460 0.603 20 30 ECEDLO C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001267495813 837566304 /nfs/dbraw/zinc/56/63/04/837566304.db2.gz GTMSTTAZQQFEEQ-LSDHHAIUSA-N 1 2 326.462 0.900 20 30 ECEDLO C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001267495813 837566312 /nfs/dbraw/zinc/56/63/12/837566312.db2.gz GTMSTTAZQQFEEQ-LSDHHAIUSA-N 1 2 326.462 0.900 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(CCC)C(=O)c2cn[nH]n2)C1 ZINC001267544805 837735166 /nfs/dbraw/zinc/73/51/66/837735166.db2.gz UEQQFIGNGJLZAA-STQMWFEESA-N 1 2 334.424 0.422 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(CCC)C(=O)c2cn[nH]n2)C1 ZINC001267544805 837735170 /nfs/dbraw/zinc/73/51/70/837735170.db2.gz UEQQFIGNGJLZAA-STQMWFEESA-N 1 2 334.424 0.422 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)c2[nH]nc3c2CCC3)C1 ZINC001267559875 837769793 /nfs/dbraw/zinc/76/97/93/837769793.db2.gz FMUFGVJQLOWRTQ-ZDUSSCGKSA-N 1 2 345.447 0.642 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)c2[nH]nc3c2CCC3)C1 ZINC001267559875 837769799 /nfs/dbraw/zinc/76/97/99/837769799.db2.gz FMUFGVJQLOWRTQ-ZDUSSCGKSA-N 1 2 345.447 0.642 20 30 ECEDLO CC(C)N(C)C(=O)C[NH+]1CCN(CCN(C)C(=O)C#CC2CC2)CC1 ZINC001267572672 837810422 /nfs/dbraw/zinc/81/04/22/837810422.db2.gz SROVGGKBGQJCIM-UHFFFAOYSA-N 1 2 348.491 0.343 20 30 ECEDLO C=CCOCC(=O)N(C)CC[NH+]1CCN(Cc2nnc(C)o2)CC1 ZINC001267573406 837814506 /nfs/dbraw/zinc/81/45/06/837814506.db2.gz FQPMRPOXTJFGEZ-UHFFFAOYSA-N 1 2 337.424 0.157 20 30 ECEDLO CC#CCN1CC[NH+](CCN(C)C(=O)c2cn3cccnc3n2)CC1 ZINC001267573603 837814736 /nfs/dbraw/zinc/81/47/36/837814736.db2.gz VSMIABXVHUFGJV-UHFFFAOYSA-N 1 2 340.431 0.442 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN(CCN(C)C(=O)C(F)F)CC2)C1=O ZINC001267573983 837819258 /nfs/dbraw/zinc/81/92/58/837819258.db2.gz QZHPIGGOHCKMTO-CYBMUJFWSA-N 1 2 344.406 0.114 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N(C)CC[NH+]1CCN(Cc2cnn(C)n2)CC1 ZINC001267574580 837822193 /nfs/dbraw/zinc/82/21/93/837822193.db2.gz MHVUOLYUURIBHA-INIZCTEOSA-N 1 2 348.495 0.993 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N(C)CC[NH+]1CCN(Cc2nnn(C)n2)CC1 ZINC001267574798 837824417 /nfs/dbraw/zinc/82/44/17/837824417.db2.gz SDUGAEIYMTXZNN-KRWDZBQOSA-N 1 2 349.483 0.388 20 30 ECEDLO C[C@@H](c1cnccn1)[NH+]1CCN(CCNC(=O)C#CC2CC2)CC1 ZINC001266283756 835615106 /nfs/dbraw/zinc/61/51/06/835615106.db2.gz VBMUHIGDWFQEGQ-HNNXBMFYSA-N 1 2 327.432 0.685 20 30 ECEDLO N#CCN1CC[NH+](CCNC(=O)CCNC(=O)C2CCCCC2)CC1 ZINC001266295249 835642028 /nfs/dbraw/zinc/64/20/28/835642028.db2.gz YVSVBJFDPBIYFX-UHFFFAOYSA-N 1 2 349.479 0.330 20 30 ECEDLO C#CCN1CC[NH+](CCNC(=O)[C@@H](C)NC(=O)c2ccccc2)CC1 ZINC001266297234 835646348 /nfs/dbraw/zinc/64/63/48/835646348.db2.gz MRDJXAIUPZGDCX-MRXNPFEDSA-N 1 2 342.443 0.172 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cnc2c(c1)c(C)nn2C ZINC001266303975 835667209 /nfs/dbraw/zinc/66/72/09/835667209.db2.gz BJJBPYWJOPJRET-UHFFFAOYSA-N 1 2 344.419 0.241 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cnc2c(c1)c(C)nn2C ZINC001266303975 835667214 /nfs/dbraw/zinc/66/72/14/835667214.db2.gz BJJBPYWJOPJRET-UHFFFAOYSA-N 1 2 344.419 0.241 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2cc(F)ccc2F)C1 ZINC001266322801 835697395 /nfs/dbraw/zinc/69/73/95/835697395.db2.gz OBUMECOVRRAHCI-YPMHNXCESA-N 1 2 335.354 0.907 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cc(F)ccc2F)C1 ZINC001266322801 835697397 /nfs/dbraw/zinc/69/73/97/835697397.db2.gz OBUMECOVRRAHCI-YPMHNXCESA-N 1 2 335.354 0.907 20 30 ECEDLO C[N@H+](CCNC(=O)Cc1cc(F)c(F)cc1F)CC(=O)NCC#N ZINC001266329676 835710823 /nfs/dbraw/zinc/71/08/23/835710823.db2.gz CXKXEQQFOJCBMR-UHFFFAOYSA-N 1 2 342.321 0.334 20 30 ECEDLO C[N@@H+](CCNC(=O)Cc1cc(F)c(F)cc1F)CC(=O)NCC#N ZINC001266329676 835710827 /nfs/dbraw/zinc/71/08/27/835710827.db2.gz CXKXEQQFOJCBMR-UHFFFAOYSA-N 1 2 342.321 0.334 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2-c2ccoc2)C1 ZINC001266331406 835713249 /nfs/dbraw/zinc/71/32/49/835713249.db2.gz POZCFUREZMLREI-LBPRGKRZSA-N 1 2 342.359 0.114 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2-c2ccoc2)C1 ZINC001266331406 835713253 /nfs/dbraw/zinc/71/32/53/835713253.db2.gz POZCFUREZMLREI-LBPRGKRZSA-N 1 2 342.359 0.114 20 30 ECEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCOCC3)C2)CCC1 ZINC001266339622 835724777 /nfs/dbraw/zinc/72/47/77/835724777.db2.gz UJRIJZQCTXTPTI-HNNXBMFYSA-N 1 2 335.448 0.782 20 30 ECEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)C2)CCC1 ZINC001266339622 835724782 /nfs/dbraw/zinc/72/47/82/835724782.db2.gz UJRIJZQCTXTPTI-HNNXBMFYSA-N 1 2 335.448 0.782 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001266341150 835727228 /nfs/dbraw/zinc/72/72/28/835727228.db2.gz AZZSBMFKIBHICG-KBPBESRZSA-N 1 2 348.447 0.934 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001266341150 835727231 /nfs/dbraw/zinc/72/72/31/835727231.db2.gz AZZSBMFKIBHICG-KBPBESRZSA-N 1 2 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ZINC001266356288 835759732 /nfs/dbraw/zinc/75/97/32/835759732.db2.gz SKSGPOLDWODSTL-OAHLLOKOSA-N 1 2 335.448 0.828 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc3c(cn2)OCCC3)C1 ZINC001266356302 835760338 /nfs/dbraw/zinc/76/03/38/835760338.db2.gz SQLCDFDAAWZEJF-CQSZACIVSA-N 1 2 344.415 0.513 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc3c(cn2)OCCC3)C1 ZINC001266356302 835760346 /nfs/dbraw/zinc/76/03/46/835760346.db2.gz SQLCDFDAAWZEJF-CQSZACIVSA-N 1 2 344.415 0.513 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)OCCO3)C1 ZINC001266358957 835765438 /nfs/dbraw/zinc/76/54/38/835765438.db2.gz KLAWGEKXSGRNTL-AWEZNQCLSA-N 1 2 345.399 0.564 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)OCCO3)C1 ZINC001266358957 835765444 /nfs/dbraw/zinc/76/54/44/835765444.db2.gz KLAWGEKXSGRNTL-AWEZNQCLSA-N 1 2 345.399 0.564 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCc1ccco1 ZINC001266460797 835863409 /nfs/dbraw/zinc/86/34/09/835863409.db2.gz 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/nfs/dbraw/zinc/37/08/60/836370860.db2.gz KXMVFABMWXWRGP-HNNXBMFYSA-N 1 2 349.410 0.186 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cnn(CCF)c1 ZINC001266844461 836370868 /nfs/dbraw/zinc/37/08/68/836370868.db2.gz KXMVFABMWXWRGP-HNNXBMFYSA-N 1 2 349.410 0.186 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(OC)n1 ZINC001266857027 836392919 /nfs/dbraw/zinc/39/29/19/836392919.db2.gz ITZBQGGYPLCJSK-AWEZNQCLSA-N 1 2 346.431 0.977 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(OC)n1 ZINC001266857027 836392924 /nfs/dbraw/zinc/39/29/24/836392924.db2.gz ITZBQGGYPLCJSK-AWEZNQCLSA-N 1 2 346.431 0.977 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@@H](C)[NH2+]Cc1csc(NC(C)=O)n1 ZINC001266938478 836496671 /nfs/dbraw/zinc/49/66/71/836496671.db2.gz YFOUYEZLOATKNN-GHMZBOCLSA-N 1 2 338.433 0.734 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001299161494 836686204 /nfs/dbraw/zinc/68/62/04/836686204.db2.gz DMDARAGRJNIGHS-KGLIPLIRSA-N 1 2 344.415 0.249 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCCc2cccnc21 ZINC001267210257 836996571 /nfs/dbraw/zinc/99/65/71/836996571.db2.gz BUHFXJZQLAOLFB-OAHLLOKOSA-N 1 2 330.432 0.852 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCCc2cccnc21 ZINC001267210257 836996578 /nfs/dbraw/zinc/99/65/78/836996578.db2.gz BUHFXJZQLAOLFB-OAHLLOKOSA-N 1 2 330.432 0.852 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC001267230943 837034842 /nfs/dbraw/zinc/03/48/42/837034842.db2.gz IQWWAZGWQASDLT-ZFWWWQNUSA-N 1 2 349.381 0.866 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC001267230943 837034849 /nfs/dbraw/zinc/03/48/49/837034849.db2.gz IQWWAZGWQASDLT-ZFWWWQNUSA-N 1 2 349.381 0.866 20 30 ECEDLO Cc1ccncc1CC(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001267269560 837109193 /nfs/dbraw/zinc/10/91/93/837109193.db2.gz ONLWCWUCXTZJQT-HNNXBMFYSA-N 1 2 329.404 0.153 20 30 ECEDLO Cc1ccncc1CC(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001267269560 837109201 /nfs/dbraw/zinc/10/92/01/837109201.db2.gz ONLWCWUCXTZJQT-HNNXBMFYSA-N 1 2 329.404 0.153 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1ocnc1CC ZINC001267275019 837118700 /nfs/dbraw/zinc/11/87/00/837118700.db2.gz BONJCDBNWHYDGB-STQMWFEESA-N 1 2 332.404 0.569 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1ocnc1CC ZINC001267275019 837118708 /nfs/dbraw/zinc/11/87/08/837118708.db2.gz BONJCDBNWHYDGB-STQMWFEESA-N 1 2 332.404 0.569 20 30 ECEDLO CCn1nc(C)cc1C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001267276214 837120103 /nfs/dbraw/zinc/12/01/03/837120103.db2.gz NOEPUQLTDJXKHT-ZDUSSCGKSA-N 1 2 332.408 0.045 20 30 ECEDLO CCn1nc(C)cc1C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001267276214 837120107 /nfs/dbraw/zinc/12/01/07/837120107.db2.gz NOEPUQLTDJXKHT-ZDUSSCGKSA-N 1 2 332.408 0.045 20 30 ECEDLO CCCc1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NCC#N)no1 ZINC001267279493 837124736 /nfs/dbraw/zinc/12/47/36/837124736.db2.gz GFGHKJCDFLOWHR-GFCCVEGCSA-N 1 2 333.392 0.461 20 30 ECEDLO CCCc1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NCC#N)no1 ZINC001267279493 837124740 /nfs/dbraw/zinc/12/47/40/837124740.db2.gz GFGHKJCDFLOWHR-GFCCVEGCSA-N 1 2 333.392 0.461 20 30 ECEDLO CCCn1ncc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NCC#N)c1C ZINC001267279627 837125012 /nfs/dbraw/zinc/12/50/12/837125012.db2.gz IMZWJKOQXZFVQO-AWEZNQCLSA-N 1 2 346.435 0.436 20 30 ECEDLO CCCn1ncc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NCC#N)c1C ZINC001267279627 837125018 /nfs/dbraw/zinc/12/50/18/837125018.db2.gz IMZWJKOQXZFVQO-AWEZNQCLSA-N 1 2 346.435 0.436 20 30 ECEDLO C=CCC1(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NCC#N)CCOCC1 ZINC001267281484 837129940 /nfs/dbraw/zinc/12/99/40/837129940.db2.gz LRPQVSAFGPFIFT-OAHLLOKOSA-N 1 2 348.447 0.580 20 30 ECEDLO C=CCC1(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NCC#N)CCOCC1 ZINC001267281484 837129950 /nfs/dbraw/zinc/12/99/50/837129950.db2.gz LRPQVSAFGPFIFT-OAHLLOKOSA-N 1 2 348.447 0.580 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cnc(CC)s1 ZINC001267283261 837131859 /nfs/dbraw/zinc/13/18/59/837131859.db2.gz LCXBQYXZZNZDFU-LBPRGKRZSA-N 1 2 334.445 0.649 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnc(CC)s1 ZINC001267283261 837131868 /nfs/dbraw/zinc/13/18/68/837131868.db2.gz LCXBQYXZZNZDFU-LBPRGKRZSA-N 1 2 334.445 0.649 20 30 ECEDLO COCC#CC[N@@H+]1CC[C@H](CNC(=O)c2ccc3oc(=O)nc-3[nH]2)C1 ZINC001267307442 837179563 /nfs/dbraw/zinc/17/95/63/837179563.db2.gz SOLLCUIZJNUKEU-GFCCVEGCSA-N 1 2 344.371 0.630 20 30 ECEDLO COCC#CC[N@H+]1CC[C@H](CNC(=O)c2ccc3oc(=O)nc-3[nH]2)C1 ZINC001267307442 837179574 /nfs/dbraw/zinc/17/95/74/837179574.db2.gz SOLLCUIZJNUKEU-GFCCVEGCSA-N 1 2 344.371 0.630 20 30 ECEDLO CCC[N@H+](CCNC(=O)C#CC1CC1)CC(=O)Nc1nncs1 ZINC001267312884 837187664 /nfs/dbraw/zinc/18/76/64/837187664.db2.gz RCQTYGOMCNAEGT-UHFFFAOYSA-N 1 2 335.433 0.718 20 30 ECEDLO CCC[N@@H+](CCNC(=O)C#CC1CC1)CC(=O)Nc1nncs1 ZINC001267312884 837187667 /nfs/dbraw/zinc/18/76/67/837187667.db2.gz RCQTYGOMCNAEGT-UHFFFAOYSA-N 1 2 335.433 0.718 20 30 ECEDLO CC#CCN1CC[NH+](CCN(C)C(=O)[C@H](OC)c2cnn(C)c2)CC1 ZINC001267608957 837964565 /nfs/dbraw/zinc/96/45/65/837964565.db2.gz JSNKBLNUOQECTF-QGZVFWFLSA-N 1 2 347.463 0.207 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N(C)CCN1CC[NH+]([C@H](C)C(=O)NC)CC1 ZINC001267609303 837970019 /nfs/dbraw/zinc/97/00/19/837970019.db2.gz VVCAYVHQHAAOGF-CVEARBPZSA-N 1 2 338.496 0.799 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N(C)CC[NH+]1CCN([C@H](C)C(=O)NC)CC1 ZINC001267609303 837970025 /nfs/dbraw/zinc/97/00/25/837970025.db2.gz VVCAYVHQHAAOGF-CVEARBPZSA-N 1 2 338.496 0.799 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001267613517 837986935 /nfs/dbraw/zinc/98/69/35/837986935.db2.gz LAXNJLKMHTWTRG-OWCLPIDISA-N 1 2 341.415 0.405 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001267613517 837986943 /nfs/dbraw/zinc/98/69/43/837986943.db2.gz LAXNJLKMHTWTRG-OWCLPIDISA-N 1 2 341.415 0.405 20 30 ECEDLO Cc1nc(C)c(CC(=O)N[C@@H]2CCC[N@H+](CC(=O)NCC#N)C2)s1 ZINC001267616136 838005854 /nfs/dbraw/zinc/00/58/54/838005854.db2.gz XHNLNBASAYCZMV-CYBMUJFWSA-N 1 2 349.460 0.523 20 30 ECEDLO Cc1nc(C)c(CC(=O)N[C@@H]2CCC[N@@H+](CC(=O)NCC#N)C2)s1 ZINC001267616136 838005864 /nfs/dbraw/zinc/00/58/64/838005864.db2.gz XHNLNBASAYCZMV-CYBMUJFWSA-N 1 2 349.460 0.523 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CCC[N@H+](CC(=O)N(C)CC2CC2)C1 ZINC001267625951 838072226 /nfs/dbraw/zinc/07/22/26/838072226.db2.gz ISZQVQYVADKQPF-HOCLYGCPSA-N 1 2 335.448 0.474 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)N(C)CC2CC2)C1 ZINC001267625951 838072234 /nfs/dbraw/zinc/07/22/34/838072234.db2.gz ISZQVQYVADKQPF-HOCLYGCPSA-N 1 2 335.448 0.474 20 30 ECEDLO CCOC1CC(CC(=O)N[C@H]2CCC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001267629675 838088006 /nfs/dbraw/zinc/08/80/06/838088006.db2.gz FEMFVTUSYRMAEY-SLTAFYQDSA-N 1 2 336.436 0.412 20 30 ECEDLO CCOC1CC(CC(=O)N[C@H]2CCC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001267629675 838088024 /nfs/dbraw/zinc/08/80/24/838088024.db2.gz FEMFVTUSYRMAEY-SLTAFYQDSA-N 1 2 336.436 0.412 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[NH+]1CC(CNC(=O)c2cn(C)cn2)C1 ZINC001267680330 838238279 /nfs/dbraw/zinc/23/82/79/838238279.db2.gz YQOVGKWYODXJCS-UHFFFAOYSA-N 1 2 333.436 0.506 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2cnn(C3CCC3)c2)C1 ZINC001267682401 838245346 /nfs/dbraw/zinc/24/53/46/838245346.db2.gz VTLQZGJIYGBKAJ-ZDUSSCGKSA-N 1 2 343.431 0.408 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2Cc3ccccc3O2)C1 ZINC001267686940 838250563 /nfs/dbraw/zinc/25/05/63/838250563.db2.gz VSBFONDLGLIHTA-CXAGYDPISA-N 1 2 341.411 0.176 20 30 ECEDLO C=CCn1cc(C(=O)NCC2C[NH+](CC(=O)NC(C)(C)C)C2)nn1 ZINC001267694522 838280852 /nfs/dbraw/zinc/28/08/52/838280852.db2.gz NIBFAZKDGCZCSU-UHFFFAOYSA-N 1 2 334.424 0.040 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2cccn3ccnc23)C1 ZINC001267694710 838281906 /nfs/dbraw/zinc/28/19/06/838281906.db2.gz QLELONARHMIWID-CYBMUJFWSA-N 1 2 341.415 0.687 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2COc3ccccc3O2)C1 ZINC001267699141 838293878 /nfs/dbraw/zinc/29/38/78/838293878.db2.gz VGYQRFUJBHIOGK-INIZCTEOSA-N 1 2 345.399 0.177 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc3c(o2)CCCC3)C1 ZINC001267725905 838396568 /nfs/dbraw/zinc/39/65/68/838396568.db2.gz IXFWXFYVGXYVEM-AWEZNQCLSA-N 1 2 329.400 0.712 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc3c(o2)CCCC3)C1 ZINC001267725905 838396576 /nfs/dbraw/zinc/39/65/76/838396576.db2.gz IXFWXFYVGXYVEM-AWEZNQCLSA-N 1 2 329.400 0.712 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cc2n[nH]c3ccccc32)C1 ZINC001267734898 838429179 /nfs/dbraw/zinc/42/91/79/838429179.db2.gz DVDBYFWBVHQAFR-ZDUSSCGKSA-N 1 2 341.415 0.598 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cc2n[nH]c3ccccc32)C1 ZINC001267734898 838429181 /nfs/dbraw/zinc/42/91/81/838429181.db2.gz DVDBYFWBVHQAFR-ZDUSSCGKSA-N 1 2 341.415 0.598 20 30 ECEDLO CC(C)CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CSCC#N)C1 ZINC001267737399 838433862 /nfs/dbraw/zinc/43/38/62/838433862.db2.gz KGDCRNVILSNKAM-UONOGXRCSA-N 1 2 340.493 0.984 20 30 ECEDLO CC(C)CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)CSCC#N)C1 ZINC001267737399 838433864 /nfs/dbraw/zinc/43/38/64/838433864.db2.gz KGDCRNVILSNKAM-UONOGXRCSA-N 1 2 340.493 0.984 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cnc(Cl)n2C)C1 ZINC001267744622 838447532 /nfs/dbraw/zinc/44/75/32/838447532.db2.gz GGMZSLDGUKCLLM-WDEREUQCSA-N 1 2 337.811 0.016 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cnc(Cl)n2C)C1 ZINC001267744622 838447534 /nfs/dbraw/zinc/44/75/34/838447534.db2.gz GGMZSLDGUKCLLM-WDEREUQCSA-N 1 2 337.811 0.016 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC001267744681 838447563 /nfs/dbraw/zinc/44/75/63/838447563.db2.gz JBXSQNUPOLSCJJ-ZBFHGGJFSA-N 1 2 329.400 0.483 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2Cc3ccccc3O2)C1 ZINC001267744681 838447565 /nfs/dbraw/zinc/44/75/65/838447565.db2.gz JBXSQNUPOLSCJJ-ZBFHGGJFSA-N 1 2 329.400 0.483 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccn3cc(C)nc3c2)C1 ZINC001267748833 838462211 /nfs/dbraw/zinc/46/22/11/838462211.db2.gz IENGEFZDHMVBFK-OAHLLOKOSA-N 1 2 341.415 0.749 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccn3cc(C)nc3c2)C1 ZINC001267748833 838462215 /nfs/dbraw/zinc/46/22/15/838462215.db2.gz IENGEFZDHMVBFK-OAHLLOKOSA-N 1 2 341.415 0.749 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N[C@@H](C)C3CC3)C2)nn1 ZINC001267750292 838469352 /nfs/dbraw/zinc/46/93/52/838469352.db2.gz YNIPCHUTCUAWQH-GXTWGEPZSA-N 1 2 346.435 0.183 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N[C@@H](C)C3CC3)C2)nn1 ZINC001267750292 838469358 /nfs/dbraw/zinc/46/93/58/838469358.db2.gz YNIPCHUTCUAWQH-GXTWGEPZSA-N 1 2 346.435 0.183 20 30 ECEDLO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc3n[nH]nc32)C1 ZINC001267764501 838495447 /nfs/dbraw/zinc/49/54/47/838495447.db2.gz WEVHVWFXICUPAU-CYBMUJFWSA-N 1 2 327.388 0.754 20 30 ECEDLO COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc3n[nH]nc32)C1 ZINC001267764501 838495452 /nfs/dbraw/zinc/49/54/52/838495452.db2.gz WEVHVWFXICUPAU-CYBMUJFWSA-N 1 2 327.388 0.754 20 30 ECEDLO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc3nn[nH]c32)C1 ZINC001267764501 838495456 /nfs/dbraw/zinc/49/54/56/838495456.db2.gz WEVHVWFXICUPAU-CYBMUJFWSA-N 1 2 327.388 0.754 20 30 ECEDLO COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc3nn[nH]c32)C1 ZINC001267764501 838495458 /nfs/dbraw/zinc/49/54/58/838495458.db2.gz WEVHVWFXICUPAU-CYBMUJFWSA-N 1 2 327.388 0.754 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)c2cnoc2CC)C1 ZINC001267789549 838568589 /nfs/dbraw/zinc/56/85/89/838568589.db2.gz GSJZMVZHRGJCDY-ZDUSSCGKSA-N 1 2 332.404 0.523 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cnoc2CC)C1 ZINC001267789549 838568595 /nfs/dbraw/zinc/56/85/95/838568595.db2.gz GSJZMVZHRGJCDY-ZDUSSCGKSA-N 1 2 332.404 0.523 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@@H]1C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001267955397 838859192 /nfs/dbraw/zinc/85/91/92/838859192.db2.gz UDIADCVIISPIRO-CQSZACIVSA-N 1 2 348.451 0.549 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC001267970983 838893505 /nfs/dbraw/zinc/89/35/05/838893505.db2.gz WGDBEAKKQHGLJG-OAHLLOKOSA-N 1 2 343.431 0.091 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ccnc(N(C)C)c2)C1 ZINC001267970983 838893513 /nfs/dbraw/zinc/89/35/13/838893513.db2.gz WGDBEAKKQHGLJG-OAHLLOKOSA-N 1 2 343.431 0.091 20 30 ECEDLO C=CCOCC[N@@H+]1CCO[C@H](CNC(=O)c2cc(CC)nn2C)C1 ZINC001268031068 839056910 /nfs/dbraw/zinc/05/69/10/839056910.db2.gz YXKYBVWGFFWJIC-OAHLLOKOSA-N 1 2 336.436 0.616 20 30 ECEDLO C=CCOCC[N@H+]1CCO[C@H](CNC(=O)c2cc(CC)nn2C)C1 ZINC001268031068 839056921 /nfs/dbraw/zinc/05/69/21/839056921.db2.gz YXKYBVWGFFWJIC-OAHLLOKOSA-N 1 2 336.436 0.616 20 30 ECEDLO CC[C@H](C#N)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000158895968 529583328 /nfs/dbraw/zinc/58/33/28/529583328.db2.gz UVZIOQZXTPGQLE-CQSZACIVSA-N 1 2 329.404 0.929 20 30 ECEDLO CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)nn1 ZINC001077910343 781926328 /nfs/dbraw/zinc/92/63/28/781926328.db2.gz QJTCRLULGROBDE-GDBMZVCRSA-N 1 2 340.387 0.145 20 30 ECEDLO CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)nn1 ZINC001077910343 781926338 /nfs/dbraw/zinc/92/63/38/781926338.db2.gz QJTCRLULGROBDE-GDBMZVCRSA-N 1 2 340.387 0.145 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](n3ccnn3)C2)nc1 ZINC000425514053 210067712 /nfs/dbraw/zinc/06/77/12/210067712.db2.gz PDBNPLACSIMVNF-AWEZNQCLSA-N 1 2 346.416 0.656 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](n3ccnn3)C2)nc1 ZINC000425514053 210067713 /nfs/dbraw/zinc/06/77/13/210067713.db2.gz PDBNPLACSIMVNF-AWEZNQCLSA-N 1 2 346.416 0.656 20 30 ECEDLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2cccnc2C#N)CC1 ZINC000425210255 210020956 /nfs/dbraw/zinc/02/09/56/210020956.db2.gz WDLIXEVYSXUZCS-UHFFFAOYSA-N 1 2 338.433 0.685 20 30 ECEDLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000425202839 210018251 /nfs/dbraw/zinc/01/82/51/210018251.db2.gz LINHTZZXFOPGBK-UHFFFAOYSA-N 1 2 327.406 0.883 20 30 ECEDLO N#Cc1cncc(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000420588304 209396583 /nfs/dbraw/zinc/39/65/83/209396583.db2.gz RXOYYLKXFYEXLT-UHFFFAOYSA-N 1 2 337.387 0.894 20 30 ECEDLO N#Cc1cncc(N2CC[NH+](CC(=O)NCc3ccccc3)CC2)n1 ZINC000420583568 209394999 /nfs/dbraw/zinc/39/49/99/209394999.db2.gz JQNXWGZPLOPJBP-UHFFFAOYSA-N 1 2 336.399 0.787 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C)c(OC)c2)CC1 ZINC000264194441 246165437 /nfs/dbraw/zinc/16/54/37/246165437.db2.gz RICBMGFQLAETBL-UHFFFAOYSA-N 1 2 343.427 0.901 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C)c(OC)c2)CC1 ZINC000264194441 246165440 /nfs/dbraw/zinc/16/54/40/246165440.db2.gz RICBMGFQLAETBL-UHFFFAOYSA-N 1 2 343.427 0.901 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(N)nc(Cl)c2)CC1 ZINC000265080577 247183963 /nfs/dbraw/zinc/18/39/63/247183963.db2.gz XKMDLUJHCDQPBT-UHFFFAOYSA-N 1 2 349.822 0.215 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(N)nc(Cl)c2)CC1 ZINC000265080577 247183971 /nfs/dbraw/zinc/18/39/71/247183971.db2.gz XKMDLUJHCDQPBT-UHFFFAOYSA-N 1 2 349.822 0.215 20 30 ECEDLO C[C@H](C(=O)N1CCOCC1)N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000093057616 218190132 /nfs/dbraw/zinc/19/01/32/218190132.db2.gz PCQTUEVZSUIMKQ-CQSZACIVSA-N 1 2 348.472 0.985 20 30 ECEDLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2cc(C#N)cs2)CC1 ZINC000093057616 218190135 /nfs/dbraw/zinc/19/01/35/218190135.db2.gz PCQTUEVZSUIMKQ-CQSZACIVSA-N 1 2 348.472 0.985 20 30 ECEDLO C[C@@H](C(=O)N1CCOCC1)N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000093057615 218190677 /nfs/dbraw/zinc/19/06/77/218190677.db2.gz PCQTUEVZSUIMKQ-AWEZNQCLSA-N 1 2 348.472 0.985 20 30 ECEDLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2cc(C#N)cs2)CC1 ZINC000093057615 218190679 /nfs/dbraw/zinc/19/06/79/218190679.db2.gz PCQTUEVZSUIMKQ-AWEZNQCLSA-N 1 2 348.472 0.985 20 30 ECEDLO COC(=O)CN1CC[NH+](CCOc2ccc(C#N)cc2OC)CC1 ZINC000429676622 210328763 /nfs/dbraw/zinc/32/87/63/210328763.db2.gz RQVMBIPNEKYZRA-UHFFFAOYSA-N 1 2 333.388 0.736 20 30 ECEDLO C#CCNC(=O)c1ccc(N2CCN(Cc3[nH+]ccn3C)CC2)nc1 ZINC000112557772 254492639 /nfs/dbraw/zinc/49/26/39/254492639.db2.gz KMVALXQFKIFYSV-UHFFFAOYSA-N 1 2 338.415 0.500 20 30 ECEDLO C=CCC[C@H](O)C[NH+]1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000131825812 254498053 /nfs/dbraw/zinc/49/80/53/254498053.db2.gz MBKNNLFDYIXJFK-AWEZNQCLSA-N 1 2 329.422 0.449 20 30 ECEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@@H](OCCO)C1 ZINC000331229780 254650984 /nfs/dbraw/zinc/65/09/84/254650984.db2.gz PLJGTSZXTOKSNW-CQSZACIVSA-N 1 2 329.441 0.485 20 30 ECEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@@H](OCCO)C1 ZINC000331229780 254650985 /nfs/dbraw/zinc/65/09/85/254650985.db2.gz PLJGTSZXTOKSNW-CQSZACIVSA-N 1 2 329.441 0.485 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000345266186 254695001 /nfs/dbraw/zinc/69/50/01/254695001.db2.gz MSAUAZGUGMZEDN-UONOGXRCSA-N 1 2 330.454 0.119 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C(=O)OC)s2)CC1 ZINC000491555326 254920389 /nfs/dbraw/zinc/92/03/89/254920389.db2.gz QMWWARSXYWEPOS-GFCCVEGCSA-N 1 2 335.429 0.795 20 30 ECEDLO C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CNc1ncncc1C#N ZINC000496267563 255086350 /nfs/dbraw/zinc/08/63/50/255086350.db2.gz ZIFUCCZYMNABAG-CYBMUJFWSA-N 1 2 332.408 0.733 20 30 ECEDLO C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CNc1ncncc1C#N ZINC000496267563 255086352 /nfs/dbraw/zinc/08/63/52/255086352.db2.gz ZIFUCCZYMNABAG-CYBMUJFWSA-N 1 2 332.408 0.733 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](Cc3cnn(C)n3)C2)C1 ZINC001041695678 782013061 /nfs/dbraw/zinc/01/30/61/782013061.db2.gz DYZZWYGDPZUVGC-RYRKJORJSA-N 1 2 345.447 0.831 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](Cc3cnn(C)n3)C2)C1 ZINC001041695678 782013068 /nfs/dbraw/zinc/01/30/68/782013068.db2.gz DYZZWYGDPZUVGC-RYRKJORJSA-N 1 2 345.447 0.831 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000191320424 165030234 /nfs/dbraw/zinc/03/02/34/165030234.db2.gz BYSSJBMMOHNYGJ-HNNXBMFYSA-N 1 2 347.463 0.556 20 30 ECEDLO COCCCNC(=O)[C@H](C)N1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191320424 165030237 /nfs/dbraw/zinc/03/02/37/165030237.db2.gz BYSSJBMMOHNYGJ-HNNXBMFYSA-N 1 2 347.463 0.556 20 30 ECEDLO C#C[C@@H](CCC)NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000491315693 421166884 /nfs/dbraw/zinc/16/68/84/421166884.db2.gz PLOVQSDQMIULQU-AWEZNQCLSA-N 1 2 347.419 0.072 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(C)c(C#N)n2)CC1 ZINC000189818923 263163485 /nfs/dbraw/zinc/16/34/85/263163485.db2.gz HODUSUGVQKQZQT-HNNXBMFYSA-N 1 2 345.447 0.925 20 30 ECEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000270925820 263286184 /nfs/dbraw/zinc/28/61/84/263286184.db2.gz WBTZUQGXHRWLNS-ZDUSSCGKSA-N 1 2 333.388 0.471 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000283499461 264122998 /nfs/dbraw/zinc/12/29/98/264122998.db2.gz AOLQZYWYVDMCRG-KBPBESRZSA-N 1 2 344.415 0.572 20 30 ECEDLO C[C@@H](NC(=O)C(=O)N(C)CC[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000283526504 264125972 /nfs/dbraw/zinc/12/59/72/264125972.db2.gz CVXWJWRTUDNEJL-CQSZACIVSA-N 1 2 344.415 0.526 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284530323 264224560 /nfs/dbraw/zinc/22/45/60/264224560.db2.gz OZVBDYAYHKIHKB-GJZGRUSLSA-N 1 2 345.399 0.877 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284530323 264224561 /nfs/dbraw/zinc/22/45/61/264224561.db2.gz OZVBDYAYHKIHKB-GJZGRUSLSA-N 1 2 345.399 0.877 20 30 ECEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)cc1 ZINC000339420720 270005964 /nfs/dbraw/zinc/00/59/64/270005964.db2.gz XGIHACMYKIYXAO-HOTGVXAUSA-N 1 2 340.387 0.506 20 30 ECEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)cc1 ZINC000339420720 270005965 /nfs/dbraw/zinc/00/59/65/270005965.db2.gz XGIHACMYKIYXAO-HOTGVXAUSA-N 1 2 340.387 0.506 20 30 ECEDLO COC[C@@H](C(N)=O)[N@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000339352829 270006006 /nfs/dbraw/zinc/00/60/06/270006006.db2.gz DLTUFVADMCMIQS-GJZGRUSLSA-N 1 2 330.388 0.486 20 30 ECEDLO COC[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000339352829 270006007 /nfs/dbraw/zinc/00/60/07/270006007.db2.gz DLTUFVADMCMIQS-GJZGRUSLSA-N 1 2 330.388 0.486 20 30 ECEDLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)Nc3cccc(C#N)c3)CCN2C1=O ZINC000369442800 266141695 /nfs/dbraw/zinc/14/16/95/266141695.db2.gz ZRASZGAJQIUIIO-AWEZNQCLSA-N 1 2 341.371 0.465 20 30 ECEDLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)Nc3cccc(C#N)c3)CCN2C1=O ZINC000369442800 266141700 /nfs/dbraw/zinc/14/17/00/266141700.db2.gz ZRASZGAJQIUIIO-AWEZNQCLSA-N 1 2 341.371 0.465 20 30 ECEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2noc(C)c2C#N)CC1 ZINC000331556566 266162111 /nfs/dbraw/zinc/16/21/11/266162111.db2.gz ZJXIZTFTMGNCAU-UHFFFAOYSA-N 1 2 333.392 0.068 20 30 ECEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2noc(C)c2C#N)CC1 ZINC000331556566 266162114 /nfs/dbraw/zinc/16/21/14/266162114.db2.gz ZJXIZTFTMGNCAU-UHFFFAOYSA-N 1 2 333.392 0.068 20 30 ECEDLO COc1cc(C#N)ccc1OS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000272341628 266799175 /nfs/dbraw/zinc/79/91/75/266799175.db2.gz BTUMXZAZDFBASG-UHFFFAOYSA-N 1 2 340.401 0.998 20 30 ECEDLO C[C@H]1C[NH+](CCN(C)S(=O)(=O)c2ccc(C#N)o2)C[C@H](C)O1 ZINC000344760937 267231877 /nfs/dbraw/zinc/23/18/77/267231877.db2.gz BURPSUFFOVPMOO-RYUDHWBXSA-N 1 2 327.406 0.881 20 30 ECEDLO C[C@H]1OCC[C@@H]1[N@H+](CCO)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000361579164 267244831 /nfs/dbraw/zinc/24/48/31/267244831.db2.gz BIYSRMLLRVJNNH-CJNGLKHVSA-N 1 2 338.429 0.804 20 30 ECEDLO C[C@H]1OCC[C@@H]1[N@@H+](CCO)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000361579164 267244835 /nfs/dbraw/zinc/24/48/35/267244835.db2.gz BIYSRMLLRVJNNH-CJNGLKHVSA-N 1 2 338.429 0.804 20 30 ECEDLO Cc1cc(C(=O)N2CC[NH+](CCO)CC2)nn1-c1cccc(C#N)c1 ZINC000355622331 267319506 /nfs/dbraw/zinc/31/95/06/267319506.db2.gz RRNKNOFWSRBKCX-UHFFFAOYSA-N 1 2 339.399 0.803 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cc(C#N)ccn1 ZINC000529754932 267330534 /nfs/dbraw/zinc/33/05/34/267330534.db2.gz YHZBJVFTWZBLBO-KRWDZBQOSA-N 1 2 330.388 0.299 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cc(C#N)ccn1 ZINC000529754932 267330536 /nfs/dbraw/zinc/33/05/36/267330536.db2.gz YHZBJVFTWZBLBO-KRWDZBQOSA-N 1 2 330.388 0.299 20 30 ECEDLO Cn1cc(N2CC[C@H]([NH2+][C@H](C(N)=O)c3ccc(C#N)cc3)C2=O)cn1 ZINC000344575261 267805112 /nfs/dbraw/zinc/80/51/12/267805112.db2.gz BXFJUKKGKWIKHS-GJZGRUSLSA-N 1 2 338.371 0.213 20 30 ECEDLO Cn1ncc2c1nc(N1CC[C@@H](Oc3ccc(C#N)cn3)C1)[nH+]c2N ZINC000291929851 267849531 /nfs/dbraw/zinc/84/95/31/267849531.db2.gz SFXJGLJMRVMJKU-LLVKDONJSA-N 1 2 336.359 0.870 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@]2([NH+]3CCOCC3)CCCOC2)cn1 ZINC000366240989 268036835 /nfs/dbraw/zinc/03/68/35/268036835.db2.gz NQTFKBLQFQQYSB-QGZVFWFLSA-N 1 2 330.388 0.564 20 30 ECEDLO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000492393366 268167211 /nfs/dbraw/zinc/16/72/11/268167211.db2.gz CYXFSAFJSOWWBZ-JTQLQIEISA-N 1 2 347.356 0.956 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000291065525 268199084 /nfs/dbraw/zinc/19/90/84/268199084.db2.gz IERABSRQIFLSQK-UHFFFAOYSA-N 1 2 345.384 0.075 20 30 ECEDLO N#Cc1cccc(-n2ccc(C(=O)NC[C@H]3C[NH+]4CCN3CC4)n2)c1 ZINC000374273192 268231589 /nfs/dbraw/zinc/23/15/89/268231589.db2.gz LJFWFFSGHBOIEY-INIZCTEOSA-N 1 2 336.399 0.474 20 30 ECEDLO N#Cc1cccc(N2CC[NH+](CC(=O)NC(=O)NC3CC3)CC2)n1 ZINC000355105473 268261580 /nfs/dbraw/zinc/26/15/80/268261580.db2.gz ODILABLILFSWCE-UHFFFAOYSA-N 1 2 328.376 0.063 20 30 ECEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c1 ZINC000365528659 268266538 /nfs/dbraw/zinc/26/65/38/268266538.db2.gz MSACDIRUCCNCBD-MRXNPFEDSA-N 1 2 327.344 0.171 20 30 ECEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c1 ZINC000365528659 268266539 /nfs/dbraw/zinc/26/65/39/268266539.db2.gz MSACDIRUCCNCBD-MRXNPFEDSA-N 1 2 327.344 0.171 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1 ZINC000493362012 268286381 /nfs/dbraw/zinc/28/63/81/268286381.db2.gz YEAQTADGOBKXEO-HIFRSBDPSA-N 1 2 349.412 0.762 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1 ZINC000493362012 268286384 /nfs/dbraw/zinc/28/63/84/268286384.db2.gz YEAQTADGOBKXEO-HIFRSBDPSA-N 1 2 349.412 0.762 20 30 ECEDLO N#Cc1ccnc(N2CC[NH+](CCN3CCCS3(=O)=O)CC2)c1 ZINC000328623010 268294055 /nfs/dbraw/zinc/29/40/55/268294055.db2.gz YNSUQSRASYXRAI-UHFFFAOYSA-N 1 2 335.433 0.111 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000491819177 275718103 /nfs/dbraw/zinc/71/81/03/275718103.db2.gz MYXVUCVDWOUHSK-KRWDZBQOSA-N 1 2 340.427 0.307 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN([C@H](C(=O)OC)c2ccccc2)CC1 ZINC000491542845 277691059 /nfs/dbraw/zinc/69/10/59/277691059.db2.gz COMMNSFRBMZGDP-KRWDZBQOSA-N 1 2 329.400 0.268 20 30 ECEDLO CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000330774840 437611148 /nfs/dbraw/zinc/61/11/48/437611148.db2.gz RNBUCFDFXXMKCM-SECBINFHSA-N 1 2 325.394 0.596 20 30 ECEDLO CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000330774840 437611153 /nfs/dbraw/zinc/61/11/53/437611153.db2.gz RNBUCFDFXXMKCM-SECBINFHSA-N 1 2 325.394 0.596 20 30 ECEDLO C#C[C@H](C)NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000190262466 437621147 /nfs/dbraw/zinc/62/11/47/437621147.db2.gz LDPBZQPQUGVPBB-AWEZNQCLSA-N 1 2 328.416 0.510 20 30 ECEDLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000452104687 300262689 /nfs/dbraw/zinc/26/26/89/300262689.db2.gz MTWLJSHPVKHYGJ-NSHDSACASA-N 1 2 343.836 0.899 20 30 ECEDLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000452104687 300262693 /nfs/dbraw/zinc/26/26/93/300262693.db2.gz MTWLJSHPVKHYGJ-NSHDSACASA-N 1 2 343.836 0.899 20 30 ECEDLO CN(C)C(=O)CN1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000072621830 436047726 /nfs/dbraw/zinc/04/77/26/436047726.db2.gz WWTIGXZXETXDCN-INIZCTEOSA-N 1 2 346.431 0.004 20 30 ECEDLO CCC[N@H+](CC(=O)N(CCC#N)CCC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000072953671 436061907 /nfs/dbraw/zinc/06/19/07/436061907.db2.gz CWZPCRSOIQEMDB-CQSZACIVSA-N 1 2 340.449 0.541 20 30 ECEDLO CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000072953671 436061912 /nfs/dbraw/zinc/06/19/12/436061912.db2.gz CWZPCRSOIQEMDB-CQSZACIVSA-N 1 2 340.449 0.541 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+](CC)CC(=O)Nc1cccc(OC)c1 ZINC000016587942 436096062 /nfs/dbraw/zinc/09/60/62/436096062.db2.gz WUQFOFCJPCTAFS-UHFFFAOYSA-N 1 2 348.403 0.967 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+](CC)CC(=O)Nc1cccc(OC)c1 ZINC000016587942 436096068 /nfs/dbraw/zinc/09/60/68/436096068.db2.gz WUQFOFCJPCTAFS-UHFFFAOYSA-N 1 2 348.403 0.967 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3[C@H](C)COC[C@H]3C)CC2)o1 ZINC000077366195 436233521 /nfs/dbraw/zinc/23/35/21/436233521.db2.gz TZLJQUDFAJYCKP-CHWSQXEVSA-N 1 2 347.419 0.613 20 30 ECEDLO C#CC[NH+](CC#C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000076185812 436195805 /nfs/dbraw/zinc/19/58/05/436195805.db2.gz JUKONMYTHHVXFN-UHFFFAOYSA-N 1 2 325.412 0.912 20 30 ECEDLO CCC[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000076944697 436218610 /nfs/dbraw/zinc/21/86/10/436218610.db2.gz RBRFNWFFUHROKD-UONOGXRCSA-N 1 2 329.466 0.894 20 30 ECEDLO CCC[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000076944697 436218614 /nfs/dbraw/zinc/21/86/14/436218614.db2.gz RBRFNWFFUHROKD-UONOGXRCSA-N 1 2 329.466 0.894 20 30 ECEDLO Cn1c(NCc2cccnc2-n2cc[nH+]c2)c(C#N)c(=O)n(C)c1=O ZINC000030587487 436220658 /nfs/dbraw/zinc/22/06/58/436220658.db2.gz QHOZWVOMCHAEQN-UHFFFAOYSA-N 1 2 337.343 0.148 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1)C1CC1 ZINC000076951869 436221769 /nfs/dbraw/zinc/22/17/69/436221769.db2.gz BCNFERMAIIIDPS-DOMZBBRYSA-N 1 2 342.465 0.056 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1)C1CC1 ZINC000076951869 436221772 /nfs/dbraw/zinc/22/17/72/436221772.db2.gz BCNFERMAIIIDPS-DOMZBBRYSA-N 1 2 342.465 0.056 20 30 ECEDLO CS(=O)(=O)N1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000030703186 436222419 /nfs/dbraw/zinc/22/24/19/436222419.db2.gz ROWUWDJMBIFSRT-UHFFFAOYSA-N 1 2 342.465 0.296 20 30 ECEDLO CS(=O)(=O)N1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000030703186 436222424 /nfs/dbraw/zinc/22/24/24/436222424.db2.gz ROWUWDJMBIFSRT-UHFFFAOYSA-N 1 2 342.465 0.296 20 30 ECEDLO C[C@@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)[NH+]1CCN(C)CC1 ZINC000077615543 436245110 /nfs/dbraw/zinc/24/51/10/436245110.db2.gz XBZHEXUJEJKBQC-AWEZNQCLSA-N 1 2 343.431 0.040 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CNC(=O)c1ccco1 ZINC000078346197 436264896 /nfs/dbraw/zinc/26/48/96/436264896.db2.gz UOOLNAGAHADDJD-UHFFFAOYSA-N 1 2 334.376 0.084 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)CC(=O)NC1(C#N)CCCCC1 ZINC000078687358 436276684 /nfs/dbraw/zinc/27/66/84/436276684.db2.gz DMCACNZJRKHVTM-UHFFFAOYSA-N 1 2 347.463 0.877 20 30 ECEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(CC(=O)N[C@@H](C)CC)CC1 ZINC000044742079 436347534 /nfs/dbraw/zinc/34/75/34/436347534.db2.gz COMXXTHKIQUDDJ-INIZCTEOSA-N 1 2 336.480 0.719 20 30 ECEDLO C=CCNC(=O)[C@H](C)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000044741041 436348021 /nfs/dbraw/zinc/34/80/21/436348021.db2.gz GGSODFGVXHIHOZ-HOTGVXAUSA-N 1 2 336.480 0.696 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000044741041 436348024 /nfs/dbraw/zinc/34/80/24/436348024.db2.gz GGSODFGVXHIHOZ-HOTGVXAUSA-N 1 2 336.480 0.696 20 30 ECEDLO CCCS(=O)(=O)NC1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000042134223 436298090 /nfs/dbraw/zinc/29/80/90/436298090.db2.gz MOXYMCXOHGXEAX-ZDUSSCGKSA-N 1 2 344.481 0.541 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000042331473 436301170 /nfs/dbraw/zinc/30/11/70/436301170.db2.gz WXGIDSAODZLTCD-HOTGVXAUSA-N 1 2 335.448 0.899 20 30 ECEDLO C[C@@H](C#N)CN(C)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000080068445 436312823 /nfs/dbraw/zinc/31/28/23/436312823.db2.gz UJKGDFIOTSKCTA-AWEZNQCLSA-N 1 2 331.424 0.400 20 30 ECEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000083246175 436370738 /nfs/dbraw/zinc/37/07/38/436370738.db2.gz UFDHRIFGNRVWTR-PBHICJAKSA-N 1 2 346.431 0.510 20 30 ECEDLO CN1C[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1=O ZINC000046148796 436387932 /nfs/dbraw/zinc/38/79/32/436387932.db2.gz FLDCPGYPQDUXJZ-MRXNPFEDSA-N 1 2 326.400 0.681 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(NC(C)=O)ccc2F)CC1 ZINC000085271419 436388001 /nfs/dbraw/zinc/38/80/01/436388001.db2.gz FDRPBOBRDDDCMS-UHFFFAOYSA-N 1 2 332.379 0.973 20 30 ECEDLO CN(C)C(=O)CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000047032099 436409722 /nfs/dbraw/zinc/40/97/22/436409722.db2.gz JEEXSMCHDUUXMD-UHFFFAOYSA-N 1 2 343.431 0.864 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743987 436430217 /nfs/dbraw/zinc/43/02/17/436430217.db2.gz RIQLYLZGIFEGMG-UHFFFAOYSA-N 1 2 347.375 0.729 20 30 ECEDLO CC[NH+]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 ZINC000091198569 436442381 /nfs/dbraw/zinc/44/23/81/436442381.db2.gz GXKLNVORNNZZGZ-UHFFFAOYSA-N 1 2 332.408 0.612 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000052672329 436512600 /nfs/dbraw/zinc/51/26/00/436512600.db2.gz XVGDBXGKXMWOHK-OLZOCXBDSA-N 1 2 330.454 0.008 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000052672329 436512603 /nfs/dbraw/zinc/51/26/03/436512603.db2.gz XVGDBXGKXMWOHK-OLZOCXBDSA-N 1 2 330.454 0.008 20 30 ECEDLO Cn1nnc2cc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)ccc21 ZINC000104348383 436559153 /nfs/dbraw/zinc/55/91/53/436559153.db2.gz OJCCDXGQSPTIKH-UHFFFAOYSA-N 1 2 342.403 0.656 20 30 ECEDLO N#C[C@H]1CN(CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000106306340 436591484 /nfs/dbraw/zinc/59/14/84/436591484.db2.gz KFYCMSHTIZVHOU-HNNXBMFYSA-N 1 2 329.404 0.345 20 30 ECEDLO N#Cc1ccc([C@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2=O)C(N)=O)cc1 ZINC000115600157 436647426 /nfs/dbraw/zinc/64/74/26/436647426.db2.gz NMNRONLLZCBYNE-RYUDHWBXSA-N 1 2 340.305 0.837 20 30 ECEDLO C=CCNC(=O)CNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000271976590 436700273 /nfs/dbraw/zinc/70/02/73/436700273.db2.gz IYJAPJFSAHZGLG-UHFFFAOYSA-N 1 2 333.392 0.020 20 30 ECEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121221095 436709825 /nfs/dbraw/zinc/70/98/25/436709825.db2.gz PRCNAVCGZRUDLU-UHFFFAOYSA-N 1 2 331.420 0.587 20 30 ECEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121221095 436709827 /nfs/dbraw/zinc/70/98/27/436709827.db2.gz PRCNAVCGZRUDLU-UHFFFAOYSA-N 1 2 331.420 0.587 20 30 ECEDLO CNC(=O)C[N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000269549315 436667081 /nfs/dbraw/zinc/66/70/81/436667081.db2.gz XXVARUDQOQPPFE-UHFFFAOYSA-N 1 2 341.333 0.851 20 30 ECEDLO CNC(=O)C[N@@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000269549315 436667086 /nfs/dbraw/zinc/66/70/86/436667086.db2.gz XXVARUDQOQPPFE-UHFFFAOYSA-N 1 2 341.333 0.851 20 30 ECEDLO C=CCNC(=O)CN1CC[N@@H+](CC(=O)NCC=C)C[C@H]1[C@@H](C)CC ZINC000269984337 436670289 /nfs/dbraw/zinc/67/02/89/436670289.db2.gz ZYSNDODBKLJDEU-HOTGVXAUSA-N 1 2 336.480 0.623 20 30 ECEDLO C=CCNC(=O)CN1CC[N@H+](CC(=O)NCC=C)C[C@H]1[C@@H](C)CC ZINC000269984337 436670290 /nfs/dbraw/zinc/67/02/90/436670290.db2.gz ZYSNDODBKLJDEU-HOTGVXAUSA-N 1 2 336.480 0.623 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)N3CCOCC3)CC2)s1 ZINC000119975622 436676161 /nfs/dbraw/zinc/67/61/61/436676161.db2.gz BEXOEPVKSBHNMA-UHFFFAOYSA-N 1 2 334.445 0.596 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc2n[nH]nc2c1 ZINC000195166423 436681035 /nfs/dbraw/zinc/68/10/35/436681035.db2.gz YNRYZSAIYINORU-UHFFFAOYSA-N 1 2 328.376 0.646 20 30 ECEDLO N#Cc1cccnc1N1CC[NH+](Cc2cc(=O)n3nccc3[nH]2)CC1 ZINC000066491697 436686194 /nfs/dbraw/zinc/68/61/94/436686194.db2.gz KZNZAHBCRXLTLJ-UHFFFAOYSA-N 1 2 335.371 0.611 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)CSc2nnc3ccccn32)CC1 ZINC000272813329 436722477 /nfs/dbraw/zinc/72/24/77/436722477.db2.gz JVHCRQZDAXKSBT-UHFFFAOYSA-N 1 2 329.429 0.989 20 30 ECEDLO N#Cc1cc(F)c(S(=O)(=O)NCCC[NH+]2CCOCC2)c(F)c1 ZINC000127976367 436809211 /nfs/dbraw/zinc/80/92/11/436809211.db2.gz HJAOSGWVDLSPCN-UHFFFAOYSA-N 1 2 345.371 0.837 20 30 ECEDLO C[C@@H](O)C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H](C)CO ZINC000248966117 436814270 /nfs/dbraw/zinc/81/42/70/436814270.db2.gz RVWXYQPWLKGTOS-CHWSQXEVSA-N 1 2 326.418 0.396 20 30 ECEDLO C[C@@H](O)C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H](C)CO ZINC000248966117 436814273 /nfs/dbraw/zinc/81/42/73/436814273.db2.gz RVWXYQPWLKGTOS-CHWSQXEVSA-N 1 2 326.418 0.396 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2(CCOC)CCC2)CC1 ZINC000155484819 436795938 /nfs/dbraw/zinc/79/59/38/436795938.db2.gz JZGKQDLKBCOIFF-UHFFFAOYSA-N 1 2 335.448 0.477 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(CCOC)CCC2)CC1 ZINC000155484819 436795940 /nfs/dbraw/zinc/79/59/40/436795940.db2.gz JZGKQDLKBCOIFF-UHFFFAOYSA-N 1 2 335.448 0.477 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CCN1CCC[NH+]1CCOCC1 ZINC000155552964 436798231 /nfs/dbraw/zinc/79/82/31/436798231.db2.gz FKTIQNJMWROUTN-OAHLLOKOSA-N 1 2 330.436 0.581 20 30 ECEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000158091172 436839180 /nfs/dbraw/zinc/83/91/80/436839180.db2.gz PCTYNLDGSBNQJH-CZUORRHYSA-N 1 2 346.431 0.631 20 30 ECEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000158091172 436839184 /nfs/dbraw/zinc/83/91/84/436839184.db2.gz PCTYNLDGSBNQJH-CZUORRHYSA-N 1 2 346.431 0.631 20 30 ECEDLO Cn1cc(N2CC[C@H](O[NH+]=C(N)c3ccc4c(c3)CCO4)C2=O)cn1 ZINC000158167127 436840358 /nfs/dbraw/zinc/84/03/58/436840358.db2.gz KAONGZCZRXXGNG-HNNXBMFYSA-N 1 2 341.371 0.797 20 30 ECEDLO Cn1cc[nH+]c1[C@H]1CN(CC(=O)N[C@@](C)(C#N)C2CC2)CCN1C ZINC000279976077 436853644 /nfs/dbraw/zinc/85/36/44/436853644.db2.gz HXDIGDAONOGXLG-PBHICJAKSA-N 1 2 330.436 0.517 20 30 ECEDLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2ccc(C#N)s2)CC1 ZINC000131624849 436855465 /nfs/dbraw/zinc/85/54/65/436855465.db2.gz TZRABRJHIQOVNK-CQSZACIVSA-N 1 2 348.472 0.985 20 30 ECEDLO C[C@H](C(=O)N1CCOCC1)N1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000131624849 436855467 /nfs/dbraw/zinc/85/54/67/436855467.db2.gz TZRABRJHIQOVNK-CQSZACIVSA-N 1 2 348.472 0.985 20 30 ECEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000135275103 436913067 /nfs/dbraw/zinc/91/30/67/436913067.db2.gz FLVZCYPEOJLBSU-CQSZACIVSA-N 1 2 326.400 0.630 20 30 ECEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000135275103 436913070 /nfs/dbraw/zinc/91/30/70/436913070.db2.gz FLVZCYPEOJLBSU-CQSZACIVSA-N 1 2 326.400 0.630 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2CCC(=O)[C@@H]2C)CC1 ZINC000280469458 436897692 /nfs/dbraw/zinc/89/76/92/436897692.db2.gz IBBHINSKOOGOLC-CABCVRRESA-N 1 2 333.432 0.275 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2CCC(=O)[C@@H]2C)CC1 ZINC000280469458 436897695 /nfs/dbraw/zinc/89/76/95/436897695.db2.gz IBBHINSKOOGOLC-CABCVRRESA-N 1 2 333.432 0.275 20 30 ECEDLO C=CCNc1ncc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)s1 ZINC000136314392 436932016 /nfs/dbraw/zinc/93/20/16/436932016.db2.gz FFXZOVAUOXKTPZ-OAHLLOKOSA-N 1 2 340.449 0.554 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000166037515 436937026 /nfs/dbraw/zinc/93/70/26/436937026.db2.gz NBZZRZACECQEQL-AWEZNQCLSA-N 1 2 331.420 0.912 20 30 ECEDLO C#CCN(CC#N)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000281262424 436958070 /nfs/dbraw/zinc/95/80/70/436958070.db2.gz FMOKYHRNGQIMCP-UHFFFAOYSA-N 1 2 326.400 0.916 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1=O ZINC000281278274 436960042 /nfs/dbraw/zinc/96/00/42/436960042.db2.gz INYIHUBNTDAYSU-ZDUSSCGKSA-N 1 2 332.360 0.912 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1=O ZINC000281278274 436960045 /nfs/dbraw/zinc/96/00/45/436960045.db2.gz INYIHUBNTDAYSU-ZDUSSCGKSA-N 1 2 332.360 0.912 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000264439693 437030384 /nfs/dbraw/zinc/03/03/84/437030384.db2.gz PSQPAYRQOQTSDK-RYUDHWBXSA-N 1 2 340.424 0.986 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000264439693 437030386 /nfs/dbraw/zinc/03/03/86/437030386.db2.gz PSQPAYRQOQTSDK-RYUDHWBXSA-N 1 2 340.424 0.986 20 30 ECEDLO C=CCCCN(C)C(=O)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000283874268 437033158 /nfs/dbraw/zinc/03/31/58/437033158.db2.gz HFQIQTHHGFTJBZ-UHFFFAOYSA-N 1 2 346.431 0.959 20 30 ECEDLO C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1=O ZINC000263768830 436985881 /nfs/dbraw/zinc/98/58/81/436985881.db2.gz SEWCQWONTPNIRW-NSHDSACASA-N 1 2 345.359 0.440 20 30 ECEDLO Cn1cc([C@H]2C[NH2+]CCN2S(=O)(=O)c2ccc(F)c(C#N)c2)cn1 ZINC000181700344 302937139 /nfs/dbraw/zinc/93/71/39/302937139.db2.gz LCAGJCBOBRDGRZ-OAHLLOKOSA-N 1 2 349.391 0.766 20 30 ECEDLO C=CCN1CC[C@H](N2CC[NH+]([C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000282048706 437010254 /nfs/dbraw/zinc/01/02/54/437010254.db2.gz RJWFLEFNQRGWGY-HOTGVXAUSA-N 1 2 332.448 0.178 20 30 ECEDLO C=CCn1c(CC2CC2)nnc1N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000282360568 437012850 /nfs/dbraw/zinc/01/28/50/437012850.db2.gz SYUSGTPRACYWMK-UHFFFAOYSA-N 1 2 344.463 0.817 20 30 ECEDLO C=CCN(CC=C)C(=O)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000284391782 437053741 /nfs/dbraw/zinc/05/37/41/437053741.db2.gz HVBFJCMKFKMQCL-UHFFFAOYSA-N 1 2 344.415 0.735 20 30 ECEDLO NC(=[NH+]OCC(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCCO1 ZINC000284530010 437054536 /nfs/dbraw/zinc/05/45/36/437054536.db2.gz UZGBWILRWAWVBG-HNNXBMFYSA-N 1 2 348.403 0.930 20 30 ECEDLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000330725427 302987221 /nfs/dbraw/zinc/98/72/21/302987221.db2.gz ZNCBJZJMUQQFPS-MNOVXSKESA-N 1 2 329.426 0.284 20 30 ECEDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)/C=C/c2ccc(C#N)cc2)CCO1 ZINC000276207487 437072474 /nfs/dbraw/zinc/07/24/74/437072474.db2.gz CZRCZMFWLCYUBZ-FYCOFBDGSA-N 1 2 342.399 0.216 20 30 ECEDLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)/C=C/c2ccc(C#N)cc2)CCO1 ZINC000276207487 437072480 /nfs/dbraw/zinc/07/24/80/437072480.db2.gz CZRCZMFWLCYUBZ-FYCOFBDGSA-N 1 2 342.399 0.216 20 30 ECEDLO C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000299357028 437073118 /nfs/dbraw/zinc/07/31/18/437073118.db2.gz NWXVIDPJRLMNIL-UHFFFAOYSA-N 1 2 347.440 0.518 20 30 ECEDLO C=CCSCCNC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000285526098 437079375 /nfs/dbraw/zinc/07/93/75/437079375.db2.gz AOOSBEYNHPHBRV-ZDUSSCGKSA-N 1 2 329.466 0.201 20 30 ECEDLO C#CCNc1nc(N[C@H](C)[C@H](C)CO)[nH+]c(N[C@@H](C)[C@H](C)CO)n1 ZINC000287147880 437164905 /nfs/dbraw/zinc/16/49/05/437164905.db2.gz DZWJCMIAFLCKRR-LPWJVIDDSA-N 1 2 336.440 0.774 20 30 ECEDLO C#CCNc1nc(N[C@H](C)[C@H](C)CO)nc(N[C@@H](C)[C@H](C)CO)[nH+]1 ZINC000287147880 437164910 /nfs/dbraw/zinc/16/49/10/437164910.db2.gz DZWJCMIAFLCKRR-LPWJVIDDSA-N 1 2 336.440 0.774 20 30 ECEDLO C#CCNc1nc(N[C@@H](C)[C@H](C)CO)nc(N[C@H](C)[C@H](C)CO)[nH+]1 ZINC000287147880 437164912 /nfs/dbraw/zinc/16/49/12/437164912.db2.gz DZWJCMIAFLCKRR-LPWJVIDDSA-N 1 2 336.440 0.774 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc(C#N)ccc1Cl ZINC000287560194 437204165 /nfs/dbraw/zinc/20/41/65/437204165.db2.gz QDMNLBSKCHEAIX-ZDUSSCGKSA-N 1 2 337.807 0.977 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000332391053 437217141 /nfs/dbraw/zinc/21/71/41/437217141.db2.gz XETPPOLPMWAGOQ-CZUORRHYSA-N 1 2 331.372 0.487 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000332391053 437217145 /nfs/dbraw/zinc/21/71/45/437217145.db2.gz XETPPOLPMWAGOQ-CZUORRHYSA-N 1 2 331.372 0.487 20 30 ECEDLO C=CCC(CC=C)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000177152307 437170743 /nfs/dbraw/zinc/17/07/43/437170743.db2.gz GTIJUUAVPHNADB-INIZCTEOSA-N 1 2 335.448 0.804 20 30 ECEDLO C#CC[N@@H+](CC)CC(=O)N(CC)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000266931646 437266829 /nfs/dbraw/zinc/26/68/29/437266829.db2.gz OSBXXRBSPHAOSE-UHFFFAOYSA-N 1 2 349.435 0.639 20 30 ECEDLO C#CC[N@H+](CC)CC(=O)N(CC)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000266931646 437266835 /nfs/dbraw/zinc/26/68/35/437266835.db2.gz OSBXXRBSPHAOSE-UHFFFAOYSA-N 1 2 349.435 0.639 20 30 ECEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCc3cnn(C)c3C)C2)CC1 ZINC000328812931 437267034 /nfs/dbraw/zinc/26/70/34/437267034.db2.gz FSDDVYHBMFHVNF-MRXNPFEDSA-N 1 2 334.468 0.854 20 30 ECEDLO C[C@@H](CNS(=O)(=O)c1ccc(C#N)o1)C[NH+]1CCN(C)CC1 ZINC000287676992 437217695 /nfs/dbraw/zinc/21/76/95/437217695.db2.gz DMULPMYHGRLRBR-LBPRGKRZSA-N 1 2 326.422 0.313 20 30 ECEDLO C=CCNC(=O)NC(=O)CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178773423 437229961 /nfs/dbraw/zinc/22/99/61/437229961.db2.gz XICPVQJOEVTBHC-UHFFFAOYSA-N 1 2 334.395 0.955 20 30 ECEDLO C=CCOc1cccc(NC(=O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000178964519 437244124 /nfs/dbraw/zinc/24/41/24/437244124.db2.gz UXHJPJRXHUNBFL-HNNXBMFYSA-N 1 2 344.415 0.306 20 30 ECEDLO COC(=O)C[C@H]1CSCC[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000266904486 437264108 /nfs/dbraw/zinc/26/41/08/437264108.db2.gz HNNJOBNSBMZPMX-ZDUSSCGKSA-N 1 2 338.433 0.623 20 30 ECEDLO COC(=O)C[C@H]1CSCC[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000266904486 437264112 /nfs/dbraw/zinc/26/41/12/437264112.db2.gz HNNJOBNSBMZPMX-ZDUSSCGKSA-N 1 2 338.433 0.623 20 30 ECEDLO N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2cc[nH+]cc2O)cc1 ZINC000336907028 437307794 /nfs/dbraw/zinc/30/77/94/437307794.db2.gz YQFBQZCLHXLMDR-UHFFFAOYSA-N 1 2 346.368 0.653 20 30 ECEDLO CCc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[C@@H]3OCC[N@H+](C)[C@@H]3C1)CC2 ZINC000329087350 437315761 /nfs/dbraw/zinc/31/57/61/437315761.db2.gz VBNCUSCDVSDVER-MCIONIFRSA-N 1 2 348.451 0.474 20 30 ECEDLO CCc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[C@@H]3OCC[N@@H+](C)[C@@H]3C1)CC2 ZINC000329087350 437315765 /nfs/dbraw/zinc/31/57/65/437315765.db2.gz VBNCUSCDVSDVER-MCIONIFRSA-N 1 2 348.451 0.474 20 30 ECEDLO CCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H]3OCC[N@H+](C)[C@@H]3C1)CC2 ZINC000329087350 437315768 /nfs/dbraw/zinc/31/57/68/437315768.db2.gz VBNCUSCDVSDVER-MCIONIFRSA-N 1 2 348.451 0.474 20 30 ECEDLO CCc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H]3OCC[N@@H+](C)[C@@H]3C1)CC2 ZINC000329087350 437315771 /nfs/dbraw/zinc/31/57/71/437315771.db2.gz VBNCUSCDVSDVER-MCIONIFRSA-N 1 2 348.451 0.474 20 30 ECEDLO CCOC1CC(CNC(=O)[C@@H]2COCCN2C)([NH+]2CCOCC2)C1 ZINC000329124982 437320463 /nfs/dbraw/zinc/32/04/63/437320463.db2.gz MCJHTVIQXBHESK-CKDBGZEDSA-N 1 2 341.452 0.543 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCCC(=O)N1CCCCC1 ZINC000328832327 437271670 /nfs/dbraw/zinc/27/16/70/437271670.db2.gz RNXXGHBAQWNVLS-CQSZACIVSA-N 1 2 326.441 0.613 20 30 ECEDLO CN(C)c1ncccc1CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328871725 437274034 /nfs/dbraw/zinc/27/40/34/437274034.db2.gz IKWMYDGTONACCC-GJZGRUSLSA-N 1 2 333.436 0.967 20 30 ECEDLO CN(C)c1ncccc1CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328871725 437274039 /nfs/dbraw/zinc/27/40/39/437274039.db2.gz IKWMYDGTONACCC-GJZGRUSLSA-N 1 2 333.436 0.967 20 30 ECEDLO C[C@@H]1C[NH+]=C(N2CCN(CC(=O)N(CCC#N)CCC#N)CC2)S1 ZINC000267101865 437288880 /nfs/dbraw/zinc/28/88/80/437288880.db2.gz YBHRWEKNBCIJIL-CQSZACIVSA-N 1 2 348.476 0.751 20 30 ECEDLO C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(C#N)s3)[C@H]2C1 ZINC000328956328 437292279 /nfs/dbraw/zinc/29/22/79/437292279.db2.gz ZGIPSSIKIGQWHM-RYUDHWBXSA-N 1 2 327.431 0.713 20 30 ECEDLO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(C#N)s3)[C@H]2C1 ZINC000328956328 437292280 /nfs/dbraw/zinc/29/22/80/437292280.db2.gz ZGIPSSIKIGQWHM-RYUDHWBXSA-N 1 2 327.431 0.713 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CCCO)CC2)cc1Cl ZINC000182443783 437351524 /nfs/dbraw/zinc/35/15/24/437351524.db2.gz FSOFQUXUMAFUJF-UHFFFAOYSA-N 1 2 343.836 0.900 20 30 ECEDLO COc1cccc(C(=O)NCC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1 ZINC000329336099 437353468 /nfs/dbraw/zinc/35/34/68/437353468.db2.gz OXOVQEONDRJOFM-CABCVRRESA-N 1 2 333.388 0.541 20 30 ECEDLO COc1cccc(C(=O)NCC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1 ZINC000329336099 437353470 /nfs/dbraw/zinc/35/34/70/437353470.db2.gz OXOVQEONDRJOFM-CABCVRRESA-N 1 2 333.388 0.541 20 30 ECEDLO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000329347761 437355426 /nfs/dbraw/zinc/35/54/26/437355426.db2.gz CMXSCCZAYVQWSZ-OSRDXIQISA-N 1 2 339.436 0.424 20 30 ECEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@@]3(CNC(=O)C3)C2)C1=O ZINC000278916598 437357046 /nfs/dbraw/zinc/35/70/46/437357046.db2.gz RBRXHWAWZMDJCK-MLGOLLRUSA-N 1 2 330.413 0.937 20 30 ECEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@@]3(CNC(=O)C3)C2)C1=O ZINC000278916598 437357052 /nfs/dbraw/zinc/35/70/52/437357052.db2.gz RBRXHWAWZMDJCK-MLGOLLRUSA-N 1 2 330.413 0.937 20 30 ECEDLO CN(C)C(=O)[C@H]1CC[C@@H](C(=O)NCC[N@@H+]2CCOC(C)(C)C2)O1 ZINC000329456198 437370465 /nfs/dbraw/zinc/37/04/65/437370465.db2.gz QCVLWPWCKZDUBX-QWHCGFSZSA-N 1 2 327.425 0.690 20 30 ECEDLO CN(C)C(=O)[C@H]1CC[C@@H](C(=O)NCC[N@H+]2CCOC(C)(C)C2)O1 ZINC000329456198 437370470 /nfs/dbraw/zinc/37/04/70/437370470.db2.gz QCVLWPWCKZDUBX-QWHCGFSZSA-N 1 2 327.425 0.690 20 30 ECEDLO Cn1cc([C@H]2C[NH2+]CCN2S(=O)(=O)Cc2cccc(C#N)c2)cn1 ZINC000181693628 437328373 /nfs/dbraw/zinc/32/83/73/437328373.db2.gz ODRCGEAEFVUJHU-MRXNPFEDSA-N 1 2 345.428 0.768 20 30 ECEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278640494 437329697 /nfs/dbraw/zinc/32/96/97/437329697.db2.gz GWRWMIXYZZPODQ-AEGPPILISA-N 1 2 333.388 0.368 20 30 ECEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278640494 437329700 /nfs/dbraw/zinc/32/97/00/437329700.db2.gz GWRWMIXYZZPODQ-AEGPPILISA-N 1 2 333.388 0.368 20 30 ECEDLO CCC[N@H+](CC(=O)N(CCC#N)CCC#N)[C@H]1CC(=O)N(C)C1=O ZINC000338326859 437404395 /nfs/dbraw/zinc/40/43/95/437404395.db2.gz FFFDJYAMOVDSOJ-ZDUSSCGKSA-N 1 2 333.392 0.112 20 30 ECEDLO CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@H]1CC(=O)N(C)C1=O ZINC000338326859 437404402 /nfs/dbraw/zinc/40/44/02/437404402.db2.gz FFFDJYAMOVDSOJ-ZDUSSCGKSA-N 1 2 333.392 0.112 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2CC(=O)N[C@](C)(C#N)C2CC2)O1 ZINC000338353030 437405473 /nfs/dbraw/zinc/40/54/73/437405473.db2.gz WRXQGUMCWNTTDO-UDUPSFLGSA-N 1 2 349.431 0.978 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2CC(=O)N[C@](C)(C#N)C2CC2)O1 ZINC000338353030 437405475 /nfs/dbraw/zinc/40/54/75/437405475.db2.gz WRXQGUMCWNTTDO-UDUPSFLGSA-N 1 2 349.431 0.978 20 30 ECEDLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCOCC1 ZINC000329726557 437406050 /nfs/dbraw/zinc/40/60/50/437406050.db2.gz DWCOUZPETHRKTK-CQSZACIVSA-N 1 2 325.409 0.303 20 30 ECEDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)N[C@H]1CCCS(=O)(=O)C1 ZINC000329773978 437411672 /nfs/dbraw/zinc/41/16/72/437411672.db2.gz IJADORSOTRZZJS-NEPJUHHUSA-N 1 2 326.422 0.841 20 30 ECEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3c[nH]nc3C2)C[C@@H]1[NH+]1CCOCC1 ZINC000329865276 437423498 /nfs/dbraw/zinc/42/34/98/437423498.db2.gz ADNODWPQDPCQBU-XPKDYRNWSA-N 1 2 333.436 0.834 20 30 ECEDLO C[C@@H]1CN(C(=O)N[C@@H]2CCc3c[nH]nc3C2)C[C@@H]1[NH+]1CCOCC1 ZINC000329865276 437423501 /nfs/dbraw/zinc/42/35/01/437423501.db2.gz ADNODWPQDPCQBU-XPKDYRNWSA-N 1 2 333.436 0.834 20 30 ECEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)CN2CCOCC2=O)no1 ZINC000329886456 437425408 /nfs/dbraw/zinc/42/54/08/437425408.db2.gz WCJDAWFESZIVAA-UHFFFAOYSA-N 1 2 325.369 0.182 20 30 ECEDLO CN(C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C1CC(O)C1 ZINC000329542513 437380788 /nfs/dbraw/zinc/38/07/88/437380788.db2.gz XVDCHJTXNWOFQL-UHFFFAOYSA-N 1 2 347.419 0.470 20 30 ECEDLO Cn1c[nH+]cc1CNC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000329544407 437382197 /nfs/dbraw/zinc/38/21/97/437382197.db2.gz FZTJAMQWYPHHBY-CHWSQXEVSA-N 1 2 326.422 0.876 20 30 ECEDLO C[C@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@H]1n1cc[nH+]c1 ZINC000268250257 437389044 /nfs/dbraw/zinc/38/90/44/437389044.db2.gz JYMKPVWIOINKST-WCQYABFASA-N 1 2 328.376 0.240 20 30 ECEDLO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)NC[C@@H]1Cc2ccccc2O1 ZINC000329653095 437397725 /nfs/dbraw/zinc/39/77/25/437397725.db2.gz DPVCEGFWWVRTHF-HOTGVXAUSA-N 1 2 331.416 0.963 20 30 ECEDLO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)NC[C@@H]1Cc2ccccc2O1 ZINC000329653095 437397728 /nfs/dbraw/zinc/39/77/28/437397728.db2.gz DPVCEGFWWVRTHF-HOTGVXAUSA-N 1 2 331.416 0.963 20 30 ECEDLO C=C(C)CS(=O)(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000184361349 437400587 /nfs/dbraw/zinc/40/05/87/437400587.db2.gz FCJIPXNXBQGVAN-UHFFFAOYSA-N 1 2 339.465 0.484 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NC3CCN(c4cccnn4)CC3)C[C@H]21 ZINC000330278895 437479342 /nfs/dbraw/zinc/47/93/42/437479342.db2.gz QFTZHBWAXJHZPE-HUUCEWRRSA-N 1 2 346.435 0.374 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NC3CCN(c4cccnn4)CC3)C[C@H]21 ZINC000330278895 437479344 /nfs/dbraw/zinc/47/93/44/437479344.db2.gz QFTZHBWAXJHZPE-HUUCEWRRSA-N 1 2 346.435 0.374 20 30 ECEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cccc(N4CCNC4=O)c3)C[C@@H]21 ZINC000329936611 437434609 /nfs/dbraw/zinc/43/46/09/437434609.db2.gz LCTPNHSESSDNQJ-GJZGRUSLSA-N 1 2 345.403 0.981 20 30 ECEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cccc(N4CCNC4=O)c3)C[C@@H]21 ZINC000329936611 437434610 /nfs/dbraw/zinc/43/46/10/437434610.db2.gz LCTPNHSESSDNQJ-GJZGRUSLSA-N 1 2 345.403 0.981 20 30 ECEDLO CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329953737 437436164 /nfs/dbraw/zinc/43/61/64/437436164.db2.gz NYKCMMYJPJTWHI-AVGNSLFASA-N 1 2 334.424 0.604 20 30 ECEDLO CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329953737 437436167 /nfs/dbraw/zinc/43/61/67/437436167.db2.gz NYKCMMYJPJTWHI-AVGNSLFASA-N 1 2 334.424 0.604 20 30 ECEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(-n4cccn4)nc3)C[C@H]21 ZINC000329972009 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WFHIVUWEPCZBDU-CABCVRRESA-N 1 2 344.481 0.700 20 30 ECEDLO COC(=O)[C@@H]1CN(C[N@H+](C)CCOCc2ccc(C#N)cc2)C(=O)O1 ZINC000497188378 438776277 /nfs/dbraw/zinc/77/62/77/438776277.db2.gz XDUFVHVGIHLXEK-HNNXBMFYSA-N 1 2 347.371 0.958 20 30 ECEDLO COC(=O)[C@@H]1CN(C[N@@H+](C)CCOCc2ccc(C#N)cc2)C(=O)O1 ZINC000497188378 438776279 /nfs/dbraw/zinc/77/62/79/438776279.db2.gz XDUFVHVGIHLXEK-HNNXBMFYSA-N 1 2 347.371 0.958 20 30 ECEDLO COC(=O)C[C@H]1COCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000588214378 438826607 /nfs/dbraw/zinc/82/66/07/438826607.db2.gz GYZSMIOTVPESDB-HOTGVXAUSA-N 1 2 348.399 0.756 20 30 ECEDLO COC(=O)C[C@H]1COCC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000588214378 438826612 /nfs/dbraw/zinc/82/66/12/438826612.db2.gz GYZSMIOTVPESDB-HOTGVXAUSA-N 1 2 348.399 0.756 20 30 ECEDLO N#CC1(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC2(CC2)C1 ZINC000601192689 438827987 /nfs/dbraw/zinc/82/79/87/438827987.db2.gz YKAHCLDDZOSKEK-CQSZACIVSA-N 1 2 346.431 0.120 20 30 ECEDLO N#CC1(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC2(CC2)C1 ZINC000601192687 438828970 /nfs/dbraw/zinc/82/89/70/438828970.db2.gz YKAHCLDDZOSKEK-AWEZNQCLSA-N 1 2 346.431 0.120 20 30 ECEDLO COC(=O)C12CC(C1)CN2CC#CC[N@@H+]1CC2CC1(C(=O)OC)C2 ZINC000595679629 438845420 /nfs/dbraw/zinc/84/54/20/438845420.db2.gz FMBHZKXBCNTVMA-UHFFFAOYSA-N 1 2 332.400 0.265 20 30 ECEDLO COC(=O)C12CC(C1)CN2CC#CC[N@H+]1CC2CC1(C(=O)OC)C2 ZINC000595679629 438845426 /nfs/dbraw/zinc/84/54/26/438845426.db2.gz FMBHZKXBCNTVMA-UHFFFAOYSA-N 1 2 332.400 0.265 20 30 ECEDLO N#Cc1cccc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)n1 ZINC000589450020 438871355 /nfs/dbraw/zinc/87/13/55/438871355.db2.gz WGXMRZDGZMOYKV-HNNXBMFYSA-N 1 2 330.388 0.517 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000601424517 438888381 /nfs/dbraw/zinc/88/83/81/438888381.db2.gz LNMMQSHCYQIXDJ-AWEZNQCLSA-N 1 2 330.454 0.263 20 30 ECEDLO N#CCC1(CS(=O)(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000601425371 438889011 /nfs/dbraw/zinc/88/90/11/438889011.db2.gz WRQIIXYOFNEIGL-CQSZACIVSA-N 1 2 327.450 0.807 20 30 ECEDLO COC(=O)Cc1cc[nH+]c(N(C)CCCc2[nH]nc(N)c2C#N)c1 ZINC000596063131 438920215 /nfs/dbraw/zinc/92/02/15/438920215.db2.gz SUBKASZCYCKZSV-UHFFFAOYSA-N 1 2 328.376 1.043 20 30 ECEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2c(C#N)cnn2C)CC1 ZINC000596071744 438923069 /nfs/dbraw/zinc/92/30/69/438923069.db2.gz VNMJFMWZNLMFEY-AWEZNQCLSA-N 1 2 330.436 0.815 20 30 ECEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1cncc(C#N)c1)C(C)(C)CO ZINC000517175182 438954263 /nfs/dbraw/zinc/95/42/63/438954263.db2.gz CHPTUKQKXSIANV-ZDUSSCGKSA-N 1 2 349.416 0.725 20 30 ECEDLO N#Cc1ccc(NC[C@]2(CO)COCC[N@@H+]2Cc2ccccc2)nn1 ZINC000596514260 438972610 /nfs/dbraw/zinc/97/26/10/438972610.db2.gz DSAGFRUTBHRHIX-SFHVURJKSA-N 1 2 339.399 1.024 20 30 ECEDLO N#Cc1ccc(NC[C@]2(CO)COCC[N@H+]2Cc2ccccc2)nn1 ZINC000596514260 438972613 /nfs/dbraw/zinc/97/26/13/438972613.db2.gz DSAGFRUTBHRHIX-SFHVURJKSA-N 1 2 339.399 1.024 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000565894772 438986174 /nfs/dbraw/zinc/98/61/74/438986174.db2.gz MCTSWSGTXWCHEP-CYBMUJFWSA-N 1 2 338.389 0.980 20 30 ECEDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000565894772 438986179 /nfs/dbraw/zinc/98/61/79/438986179.db2.gz MCTSWSGTXWCHEP-CYBMUJFWSA-N 1 2 338.389 0.980 20 30 ECEDLO COC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)cc1[N+](=O)[O-] ZINC000591241767 438993437 /nfs/dbraw/zinc/99/34/37/438993437.db2.gz MFDPBNXMKDYAJN-NSHDSACASA-N 1 2 337.332 0.967 20 30 ECEDLO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)cc1[N+](=O)[O-] ZINC000591241767 438993441 /nfs/dbraw/zinc/99/34/41/438993441.db2.gz MFDPBNXMKDYAJN-NSHDSACASA-N 1 2 337.332 0.967 20 30 ECEDLO C=C(C)CN(CC)C(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000459820468 439009026 /nfs/dbraw/zinc/00/90/26/439009026.db2.gz IORFHXIHJQRIFY-GASCZTMLSA-N 1 2 325.453 0.979 20 30 ECEDLO C=C(C)CN(CC)C(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000459820468 439009029 /nfs/dbraw/zinc/00/90/29/439009029.db2.gz IORFHXIHJQRIFY-GASCZTMLSA-N 1 2 325.453 0.979 20 30 ECEDLO C[NH+]1CCC(C#N)(NC(=O)c2cccc(-c3nc(=O)o[nH]3)c2)CC1 ZINC000597164979 439050902 /nfs/dbraw/zinc/05/09/02/439050902.db2.gz GZUBODHBPMLLOJ-UHFFFAOYSA-N 1 2 327.344 0.748 20 30 ECEDLO N#CCC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000566746255 439085825 /nfs/dbraw/zinc/08/58/25/439085825.db2.gz YGJPONJVVVPAPV-CYBMUJFWSA-N 1 2 348.359 0.392 20 30 ECEDLO CN(C)C(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592149360 439166568 /nfs/dbraw/zinc/16/65/68/439166568.db2.gz NNPBDJHQBSJLFI-KRWDZBQOSA-N 1 2 330.388 0.677 20 30 ECEDLO CN(C)C(=O)c1ccc(NC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592149360 439166569 /nfs/dbraw/zinc/16/65/69/439166569.db2.gz NNPBDJHQBSJLFI-KRWDZBQOSA-N 1 2 330.388 0.677 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)NCc1c[nH+]c(C)nc1N ZINC000522029798 439140149 /nfs/dbraw/zinc/14/01/49/439140149.db2.gz XZCHIQIEFRHABM-UHFFFAOYSA-N 1 2 327.344 0.943 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)COc2ccc(C#N)cc2)nn1 ZINC000603256553 439220610 /nfs/dbraw/zinc/22/06/10/439220610.db2.gz HKWRTKDRNTVCRG-MRXNPFEDSA-N 1 2 325.372 0.703 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000592209397 439186126 /nfs/dbraw/zinc/18/61/26/439186126.db2.gz RTCFGTODYRBVPX-KGLIPLIRSA-N 1 2 337.420 0.527 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000592209397 439186131 /nfs/dbraw/zinc/18/61/31/439186131.db2.gz RTCFGTODYRBVPX-KGLIPLIRSA-N 1 2 337.420 0.527 20 30 ECEDLO Cn1ccnc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccccc1C#N ZINC000592388119 439218270 /nfs/dbraw/zinc/21/82/70/439218270.db2.gz ZJAJXOAXQNZHQL-CYBMUJFWSA-N 1 2 331.401 0.627 20 30 ECEDLO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)CC(C)(C)C#N)[C@@H](C(=O)OC)C1 ZINC000598602343 439284892 /nfs/dbraw/zinc/28/48/92/439284892.db2.gz IYGUMVDSWFBATC-FRRDWIJNSA-N 1 2 326.393 0.714 20 30 ECEDLO COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@@H](C(=O)OC)C1 ZINC000598602343 439284894 /nfs/dbraw/zinc/28/48/94/439284894.db2.gz IYGUMVDSWFBATC-FRRDWIJNSA-N 1 2 326.393 0.714 20 30 ECEDLO C#CCNS(=O)(=O)c1ccc(C(=O)NCc2[nH+]ccn2C)cc1 ZINC000490604598 439278308 /nfs/dbraw/zinc/27/83/08/439278308.db2.gz LAMCAAJRODTVJC-UHFFFAOYSA-N 1 2 332.385 0.262 20 30 ECEDLO CNS(=O)(=O)CC[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000598591610 439282662 /nfs/dbraw/zinc/28/26/62/439282662.db2.gz WZFHJIORIPLUML-UHFFFAOYSA-N 1 2 326.397 0.369 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)n2nc(C)cc2C)CC1 ZINC000490648797 439283439 /nfs/dbraw/zinc/28/34/39/439283439.db2.gz CKZXQGPRRBXCDV-MRXNPFEDSA-N 1 2 345.447 0.345 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)n2nc(C)cc2C)CC1 ZINC000490648797 439283443 /nfs/dbraw/zinc/28/34/43/439283443.db2.gz CKZXQGPRRBXCDV-MRXNPFEDSA-N 1 2 345.447 0.345 20 30 ECEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)c1c(N)n(CCOC)c(=O)[nH]c1=O ZINC000489503951 439231625 /nfs/dbraw/zinc/23/16/25/439231625.db2.gz ZUKDKMZLFJWOQB-NSHDSACASA-N 1 2 336.392 0.401 20 30 ECEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)c1c(N)n(CCOC)c(=O)[nH]c1=O ZINC000489503951 439231628 /nfs/dbraw/zinc/23/16/28/439231628.db2.gz ZUKDKMZLFJWOQB-NSHDSACASA-N 1 2 336.392 0.401 20 30 ECEDLO C#CCN1CCN(C(=O)C[NH2+][C@@H](COC)c2ccc(CC)o2)CC1 ZINC000490951406 439318131 /nfs/dbraw/zinc/31/81/31/439318131.db2.gz XQUTXIYJLZMSPN-INIZCTEOSA-N 1 2 333.432 0.897 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)c2ncccc2F)CC1 ZINC000491040625 439326711 /nfs/dbraw/zinc/32/67/11/439326711.db2.gz VXCMSJYDXMKTAZ-AWEZNQCLSA-N 1 2 346.406 0.608 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)c2ncccc2F)CC1 ZINC000491040625 439326712 /nfs/dbraw/zinc/32/67/12/439326712.db2.gz VXCMSJYDXMKTAZ-AWEZNQCLSA-N 1 2 346.406 0.608 20 30 ECEDLO CCNC(=O)CN1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528337746 439327145 /nfs/dbraw/zinc/32/71/45/439327145.db2.gz KGMAMGCORCANFV-MRXNPFEDSA-N 1 2 346.431 0.052 20 30 ECEDLO C#CCNC(=O)C1CCN(C(=O)NCc2ccc[nH+]c2N(C)C)CC1 ZINC000491069214 439328970 /nfs/dbraw/zinc/32/89/70/439328970.db2.gz URMMJBUUTSBVNR-UHFFFAOYSA-N 1 2 343.431 0.819 20 30 ECEDLO C[N@H+](CCN1CCCS1(=O)=O)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593015878 439329110 /nfs/dbraw/zinc/32/91/10/439329110.db2.gz ASIAFERGUCTJRN-UHFFFAOYSA-N 1 2 338.389 0.934 20 30 ECEDLO C[N@@H+](CCN1CCCS1(=O)=O)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593015878 439329114 /nfs/dbraw/zinc/32/91/14/439329114.db2.gz ASIAFERGUCTJRN-UHFFFAOYSA-N 1 2 338.389 0.934 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000491126552 439334933 /nfs/dbraw/zinc/33/49/33/439334933.db2.gz PSLJNVQJZAFQTR-MRXNPFEDSA-N 1 2 337.370 0.365 20 30 ECEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1OC ZINC000582130599 439295345 /nfs/dbraw/zinc/29/53/45/439295345.db2.gz IUBRKQPAGCQROX-JTQLQIEISA-N 1 2 340.405 0.563 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2c(C)cccc2C(=O)NCC)CC1 ZINC000490762014 439295419 /nfs/dbraw/zinc/29/54/19/439295419.db2.gz DSNGXCGDIUSZTH-UHFFFAOYSA-N 1 2 343.427 0.901 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCOC[C@H]2c2ccc(CC)o2)CC1 ZINC000490760610 439296450 /nfs/dbraw/zinc/29/64/50/439296450.db2.gz OFKYTDJECKHKCS-KRWDZBQOSA-N 1 2 345.443 0.993 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(NC(=O)COC)cc2)CC1 ZINC000490778786 439297588 /nfs/dbraw/zinc/29/75/88/439297588.db2.gz LGBUXBYISCCMKC-UHFFFAOYSA-N 1 2 345.399 0.428 20 30 ECEDLO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)ncc1C#N ZINC000569017523 439301053 /nfs/dbraw/zinc/30/10/53/439301053.db2.gz RJXXWLDKOAZMJZ-UHFFFAOYSA-N 1 2 345.403 0.427 20 30 ECEDLO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCOC(C)(C)C2)ncc1C#N ZINC000569017523 439301057 /nfs/dbraw/zinc/30/10/57/439301057.db2.gz RJXXWLDKOAZMJZ-UHFFFAOYSA-N 1 2 345.403 0.427 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1ncc(C#N)cc1[N+](=O)[O-] ZINC000599129792 439365355 /nfs/dbraw/zinc/36/53/55/439365355.db2.gz HBEOJRQLGNIDKW-MRXNPFEDSA-N 1 2 347.375 0.889 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1ncc(C#N)cc1[N+](=O)[O-] ZINC000599129792 439365359 /nfs/dbraw/zinc/36/53/59/439365359.db2.gz HBEOJRQLGNIDKW-MRXNPFEDSA-N 1 2 347.375 0.889 20 30 ECEDLO C#CCNS(=O)(=O)c1ccc(C(=O)OCc2cc[nH+]c(N)c2)cc1 ZINC000491166019 439342995 /nfs/dbraw/zinc/34/29/95/439342995.db2.gz OZVDPBLISLHLMW-UHFFFAOYSA-N 1 2 345.380 0.932 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CC[S@@](=O)c2ccccc2)CC1 ZINC000491221778 439353030 /nfs/dbraw/zinc/35/30/30/439353030.db2.gz ZRCXZKKNAURFOF-HSZRJFAPSA-N 1 2 333.457 0.161 20 30 ECEDLO C#CCNS(=O)(=O)c1ccc(C(=O)NCCc2cn(C)c[nH+]2)cc1 ZINC000491373217 439373043 /nfs/dbraw/zinc/37/30/43/439373043.db2.gz MENWINDSEGUDMB-UHFFFAOYSA-N 1 2 346.412 0.304 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2cncc(C#N)n2)CC1 ZINC000582841910 439386356 /nfs/dbraw/zinc/38/63/56/439386356.db2.gz LZABIUKPNVUUPT-CYBMUJFWSA-N 1 2 332.408 0.011 20 30 ECEDLO C#CCN1C(=O)C[C@@H]([NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)C1=O ZINC000491463852 439389294 /nfs/dbraw/zinc/38/92/94/439389294.db2.gz PHCHFOBGEAZWRH-RISCZKNCSA-N 1 2 332.322 0.772 20 30 ECEDLO COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCC[N@H+]1CC=CCC1 ZINC000593585362 439414040 /nfs/dbraw/zinc/41/40/40/439414040.db2.gz GXEGLHODWGCUPJ-UHFFFAOYSA-N 1 2 349.412 0.885 20 30 ECEDLO COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCC[N@@H+]1CC=CCC1 ZINC000593585362 439414045 /nfs/dbraw/zinc/41/40/45/439414045.db2.gz GXEGLHODWGCUPJ-UHFFFAOYSA-N 1 2 349.412 0.885 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccsc2C#N)[C@@H](C)C[N@@H+]1CCO ZINC000593610228 439421742 /nfs/dbraw/zinc/42/17/42/439421742.db2.gz WHTXQSGRWDBPPW-MNOVXSKESA-N 1 2 329.447 0.695 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2ccsc2C#N)[C@@H](C)C[N@H+]1CCO ZINC000593610228 439421745 /nfs/dbraw/zinc/42/17/45/439421745.db2.gz WHTXQSGRWDBPPW-MNOVXSKESA-N 1 2 329.447 0.695 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1Cl ZINC000593650281 439435579 /nfs/dbraw/zinc/43/55/79/439435579.db2.gz XGJVRLKXCYTGOV-GFCCVEGCSA-N 1 2 341.820 0.651 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1Cl ZINC000593650281 439435582 /nfs/dbraw/zinc/43/55/82/439435582.db2.gz XGJVRLKXCYTGOV-GFCCVEGCSA-N 1 2 341.820 0.651 20 30 ECEDLO N#Cc1ccc(F)c(CS(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000593651352 439435750 /nfs/dbraw/zinc/43/57/50/439435750.db2.gz IPYYFHLKWQBTOQ-CQSZACIVSA-N 1 2 339.392 0.278 20 30 ECEDLO N#Cc1ccc(F)c(CS(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000593651352 439435752 /nfs/dbraw/zinc/43/57/52/439435752.db2.gz IPYYFHLKWQBTOQ-CQSZACIVSA-N 1 2 339.392 0.278 20 30 ECEDLO COCC[N@@H+]1CCN(S(=O)(=O)c2cccnc2C#N)C(C)(C)C1 ZINC000593658754 439438500 /nfs/dbraw/zinc/43/85/00/439438500.db2.gz VNIXCTMHCSPQIG-UHFFFAOYSA-N 1 2 338.433 0.685 20 30 ECEDLO COCC[N@H+]1CCN(S(=O)(=O)c2cccnc2C#N)C(C)(C)C1 ZINC000593658754 439438505 /nfs/dbraw/zinc/43/85/05/439438505.db2.gz VNIXCTMHCSPQIG-UHFFFAOYSA-N 1 2 338.433 0.685 20 30 ECEDLO Cc1cc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)ncc1C#N ZINC000529749264 439451640 /nfs/dbraw/zinc/45/16/40/439451640.db2.gz AXCJATFOPHGXMS-GOSISDBHSA-N 1 2 344.415 0.607 20 30 ECEDLO Cc1cc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)ncc1C#N ZINC000529749264 439451647 /nfs/dbraw/zinc/45/16/47/439451647.db2.gz AXCJATFOPHGXMS-GOSISDBHSA-N 1 2 344.415 0.607 20 30 ECEDLO COC(=O)C[C@H]1COCC[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC000599418666 439463000 /nfs/dbraw/zinc/46/30/00/439463000.db2.gz JYGNQIIDZZEPSX-GJZGRUSLSA-N 1 2 334.372 0.562 20 30 ECEDLO COC(=O)C[C@H]1COCC[N@H+]1C[C@H](O)COc1ccccc1C#N ZINC000599418666 439463008 /nfs/dbraw/zinc/46/30/08/439463008.db2.gz JYGNQIIDZZEPSX-GJZGRUSLSA-N 1 2 334.372 0.562 20 30 ECEDLO N#Cc1ccc(CS(=O)(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000571136119 439477361 /nfs/dbraw/zinc/47/73/61/439477361.db2.gz HBCDOMWVCJDQCV-IYBDPMFKSA-N 1 2 335.429 0.841 20 30 ECEDLO N#Cc1ccc(CS(=O)(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000571136119 439477365 /nfs/dbraw/zinc/47/73/65/439477365.db2.gz HBCDOMWVCJDQCV-IYBDPMFKSA-N 1 2 335.429 0.841 20 30 ECEDLO COCCOCC[NH+]1CCN(C(=O)c2cc(C)c(C#N)cn2)CC1 ZINC000593885816 439488141 /nfs/dbraw/zinc/48/81/41/439488141.db2.gz BFPHAJFZCWOQMH-UHFFFAOYSA-N 1 2 332.404 0.683 20 30 ECEDLO N#CCN1CCN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC1 ZINC000537228546 439541590 /nfs/dbraw/zinc/54/15/90/439541590.db2.gz FKRPULWQPPXFBI-UHFFFAOYSA-N 1 2 329.404 0.195 20 30 ECEDLO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@@H](C)O1 ZINC000599599697 439515993 /nfs/dbraw/zinc/51/59/93/439515993.db2.gz WHLDQVSBFCIAQG-UNEWFSDZSA-N 1 2 348.399 0.755 20 30 ECEDLO COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@@H](C)O1 ZINC000599599697 439515996 /nfs/dbraw/zinc/51/59/96/439515996.db2.gz WHLDQVSBFCIAQG-UNEWFSDZSA-N 1 2 348.399 0.755 20 30 ECEDLO CCCCNC(=O)CN1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000610162951 439601593 /nfs/dbraw/zinc/60/15/93/439601593.db2.gz ZTPMFMJAEXARFU-OAHLLOKOSA-N 1 2 337.468 0.281 20 30 ECEDLO N#Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000610462647 439618099 /nfs/dbraw/zinc/61/80/99/439618099.db2.gz KLBAUVNNNPTQRI-INIZCTEOSA-N 1 2 342.399 0.820 20 30 ECEDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)CC1(C#N)CC1 ZINC000573264434 439637598 /nfs/dbraw/zinc/63/75/98/439637598.db2.gz QWNWQMDAIUNFDV-UHFFFAOYSA-N 1 2 329.466 0.910 20 30 ECEDLO N#Cc1ccc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)nc1 ZINC000594901800 439641841 /nfs/dbraw/zinc/64/18/41/439641841.db2.gz ADOPSIODKPLERM-UHFFFAOYSA-N 1 2 335.367 0.867 20 30 ECEDLO Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3COCC[N@H+]3C)CC2)o1 ZINC000600419445 439654287 /nfs/dbraw/zinc/65/42/87/439654287.db2.gz HOVXYSYZEINWOL-AWEZNQCLSA-N 1 2 347.419 0.518 20 30 ECEDLO Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3COCC[N@@H+]3C)CC2)o1 ZINC000600419445 439654291 /nfs/dbraw/zinc/65/42/91/439654291.db2.gz HOVXYSYZEINWOL-AWEZNQCLSA-N 1 2 347.419 0.518 20 30 ECEDLO CSc1[nH]c(=O)c(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1C#N ZINC000610914038 439658181 /nfs/dbraw/zinc/65/81/81/439658181.db2.gz YTDDQEJYCAVENL-SKDRFNHKSA-N 1 2 336.417 0.830 20 30 ECEDLO CSc1[nH]c(=O)c(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1C#N ZINC000610914038 439658185 /nfs/dbraw/zinc/65/81/85/439658185.db2.gz YTDDQEJYCAVENL-SKDRFNHKSA-N 1 2 336.417 0.830 20 30 ECEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586860421 439664920 /nfs/dbraw/zinc/66/49/20/439664920.db2.gz FKKVPXGTTBALQZ-LBPRGKRZSA-N 1 2 348.378 0.150 20 30 ECEDLO C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586860421 439664923 /nfs/dbraw/zinc/66/49/23/439664923.db2.gz FKKVPXGTTBALQZ-LBPRGKRZSA-N 1 2 348.378 0.150 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)nn2)CC1 ZINC000611240736 439683910 /nfs/dbraw/zinc/68/39/10/439683910.db2.gz GTABZOXGWSJDKX-CYBMUJFWSA-N 1 2 332.408 0.011 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)c1 ZINC000600681503 439688829 /nfs/dbraw/zinc/68/88/29/439688829.db2.gz JHESWUXVRLDYGN-HNNXBMFYSA-N 1 2 325.372 0.912 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)c1 ZINC000600681503 439688833 /nfs/dbraw/zinc/68/88/33/439688833.db2.gz JHESWUXVRLDYGN-HNNXBMFYSA-N 1 2 325.372 0.912 20 30 ECEDLO Cn1c(C#N)ccc1C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000600680429 439688930 /nfs/dbraw/zinc/68/89/30/439688930.db2.gz CGTDPFXDVFHINI-MRXNPFEDSA-N 1 2 339.399 0.923 20 30 ECEDLO Cn1c(C#N)ccc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000600680429 439688933 /nfs/dbraw/zinc/68/89/33/439688933.db2.gz CGTDPFXDVFHINI-MRXNPFEDSA-N 1 2 339.399 0.923 20 30 ECEDLO CN1CCN(c2cc(NC3CCN(CC#N)CC3)[nH+]cn2)CC1=O ZINC000614131241 439770867 /nfs/dbraw/zinc/77/08/67/439770867.db2.gz XDLZCNGNGURFHB-UHFFFAOYSA-N 1 2 329.408 0.155 20 30 ECEDLO CN1CCN(c2cc(NC3CCN(CC#N)CC3)nc[nH+]2)CC1=O ZINC000614131241 439770868 /nfs/dbraw/zinc/77/08/68/439770868.db2.gz XDLZCNGNGURFHB-UHFFFAOYSA-N 1 2 329.408 0.155 20 30 ECEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000644844493 440701075 /nfs/dbraw/zinc/70/10/75/440701075.db2.gz ZSRRMCIIJXVPFR-DZGCQCFKSA-N 1 2 332.404 0.631 20 30 ECEDLO C=C(C)C[C@H]1NC(=O)N([C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1=O ZINC000630976502 440993558 /nfs/dbraw/zinc/99/35/58/440993558.db2.gz QTUMWKFBCUWRGM-CHWSQXEVSA-N 1 2 345.403 0.798 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCCN(c3cnn(C)c3)C2=O)nn1 ZINC000641054678 441050450 /nfs/dbraw/zinc/05/04/50/441050450.db2.gz LKTTUGQMHATKPY-OAHLLOKOSA-N 1 2 327.392 0.493 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)c2ccc(C#N)cn2)C1=O ZINC000541230509 322090433 /nfs/dbraw/zinc/09/04/33/322090433.db2.gz WMPAZKQMZNYCKH-AWEZNQCLSA-N 1 2 338.371 0.608 20 30 ECEDLO Cn1nccc1[C@@H](CO)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000563137360 322300224 /nfs/dbraw/zinc/30/02/24/322300224.db2.gz CXACMTLIBNYFBE-CQSZACIVSA-N 1 2 334.401 0.389 20 30 ECEDLO CCCc1noc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)n1 ZINC000567062647 322568348 /nfs/dbraw/zinc/56/83/48/322568348.db2.gz DEDOPKIHNMZNPS-UHFFFAOYSA-N 1 2 343.387 0.936 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2cc(C#N)ncn2)CC1 ZINC000578829356 322876552 /nfs/dbraw/zinc/87/65/52/322876552.db2.gz AERONEHUZSEPFT-CYBMUJFWSA-N 1 2 332.408 0.011 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(=O)N(C)C)cc2)C1 ZINC001078021496 782154620 /nfs/dbraw/zinc/15/46/20/782154620.db2.gz BFNMIAPNETWBKA-HZPDHXFCSA-N 1 2 329.400 0.187 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(=O)N(C)C)cc2)C1 ZINC001078021496 782154624 /nfs/dbraw/zinc/15/46/24/782154624.db2.gz BFNMIAPNETWBKA-HZPDHXFCSA-N 1 2 329.400 0.187 20 30 ECEDLO C=CCC(F)(F)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000293741414 517322083 /nfs/dbraw/zinc/32/20/83/517322083.db2.gz PGQDDQAFOKAHLD-LBPRGKRZSA-N 1 2 331.363 0.247 20 30 ECEDLO CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193770821 535275149 /nfs/dbraw/zinc/27/51/49/535275149.db2.gz UOHNHSHFPFEAFQ-ZDUSSCGKSA-N 1 2 344.419 0.698 20 30 ECEDLO CC(C)(C)c1ncc(NC(=O)NC[C@H](O)C[NH+]2CCOCC2)cn1 ZINC000328902965 546009246 /nfs/dbraw/zinc/00/92/46/546009246.db2.gz HGBQBGXXQXQAGL-ZDUSSCGKSA-N 1 2 337.424 0.793 20 30 ECEDLO CO[C@H]1C[C@@H](C(=O)NCC(C)(C)N2CCS(=O)CC2)[N@H+](C)C1 ZINC000329026180 546012615 /nfs/dbraw/zinc/01/26/15/546012615.db2.gz OARCICXDWITTIW-STQMWFEESA-N 1 2 331.482 0.505 20 30 ECEDLO CO[C@H]1C[C@@H](C(=O)NCC(C)(C)N2CCS(=O)CC2)[N@@H+](C)C1 ZINC000329026180 546012618 /nfs/dbraw/zinc/01/26/18/546012618.db2.gz OARCICXDWITTIW-STQMWFEESA-N 1 2 331.482 0.505 20 30 ECEDLO [O-]C(=[NH+]C[C@H](N1CCOCC1)C(F)(F)F)N1CCn2cc[nH+]c2C1 ZINC000329324007 546020044 /nfs/dbraw/zinc/02/00/44/546020044.db2.gz VHPKILGDMJFQIL-NSHDSACASA-N 1 2 347.341 0.876 20 30 ECEDLO C=C[C@@H]([NH2+]C[C@H]1CCn2ncc(C(=O)NC(C)C)c2C1)C(=O)OC ZINC000619703677 546359155 /nfs/dbraw/zinc/35/91/55/546359155.db2.gz QQJRMHBNGXOPAM-GXTWGEPZSA-N 1 2 334.420 0.901 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000668494022 547666773 /nfs/dbraw/zinc/66/67/73/547666773.db2.gz UEXITUSMHDMNDZ-OAHLLOKOSA-N 1 2 349.435 0.625 20 30 ECEDLO C=C(C)[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000677476693 548934960 /nfs/dbraw/zinc/93/49/60/548934960.db2.gz ZLWADRMEWISLMM-MRXNPFEDSA-N 1 2 340.445 0.939 20 30 ECEDLO C=C(C)[C@H](CO)[N@@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000678050264 548992227 /nfs/dbraw/zinc/99/22/27/548992227.db2.gz WUTZBTJFSQXECM-BBRMVZONSA-N 1 2 330.384 0.920 20 30 ECEDLO C=C(C)[C@H](CO)[N@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000678050264 548992230 /nfs/dbraw/zinc/99/22/30/548992230.db2.gz WUTZBTJFSQXECM-BBRMVZONSA-N 1 2 330.384 0.920 20 30 ECEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)Nc2ccc(CC#N)cc2)C1 ZINC000748455281 579324697 /nfs/dbraw/zinc/32/46/97/579324697.db2.gz GJEKEJFGXNTCFK-OAHLLOKOSA-N 1 2 331.372 0.955 20 30 ECEDLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)Nc2ccc(CC#N)cc2)C1 ZINC000748455281 579324699 /nfs/dbraw/zinc/32/46/99/579324699.db2.gz GJEKEJFGXNTCFK-OAHLLOKOSA-N 1 2 331.372 0.955 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2c(C)oc(C)c2S(N)(=O)=O)CC1 ZINC000749652986 579340393 /nfs/dbraw/zinc/34/03/93/579340393.db2.gz IIQYZTHQDJYGMI-UHFFFAOYSA-N 1 2 339.417 0.325 20 30 ECEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(Cn2cccc(C#N)c2=O)CC1 ZINC000750607507 579355475 /nfs/dbraw/zinc/35/54/75/579355475.db2.gz BFNREAZWIXNPNI-CQSZACIVSA-N 1 2 331.420 0.210 20 30 ECEDLO CS(=O)(=O)CCNN=CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000751132392 579363806 /nfs/dbraw/zinc/36/38/06/579363806.db2.gz BJOYYOCYYXXODU-UHFFFAOYSA-N 1 2 331.482 0.889 20 30 ECEDLO Oc1ccc(C=NNC(=S)NCC[NH+]2CCOCC2)cc1F ZINC000755498734 579434211 /nfs/dbraw/zinc/43/42/11/579434211.db2.gz KEIFIVGVUSCEKV-UHFFFAOYSA-N 1 2 326.397 0.662 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000728571005 578289829 /nfs/dbraw/zinc/28/98/29/578289829.db2.gz SQPRPAXMIXCVIK-MRXNPFEDSA-N 1 2 337.370 0.365 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000728571005 578289830 /nfs/dbraw/zinc/28/98/30/578289830.db2.gz SQPRPAXMIXCVIK-MRXNPFEDSA-N 1 2 337.370 0.365 20 30 ECEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000729789382 578298634 /nfs/dbraw/zinc/29/86/34/578298634.db2.gz FRRNWMTZLKESFC-ZDUSSCGKSA-N 1 2 346.387 0.364 20 30 ECEDLO C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000729789382 578298635 /nfs/dbraw/zinc/29/86/35/578298635.db2.gz FRRNWMTZLKESFC-ZDUSSCGKSA-N 1 2 346.387 0.364 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(S(=O)(=O)NC)s1 ZINC000730274214 578304416 /nfs/dbraw/zinc/30/44/16/578304416.db2.gz NAUYEXJZZWPKKU-LBPRGKRZSA-N 1 2 341.458 0.370 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(S(=O)(=O)NC)s1 ZINC000730274214 578304417 /nfs/dbraw/zinc/30/44/17/578304417.db2.gz NAUYEXJZZWPKKU-LBPRGKRZSA-N 1 2 341.458 0.370 20 30 ECEDLO C#CCOc1cccc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)c1 ZINC000731124685 578310528 /nfs/dbraw/zinc/31/05/28/578310528.db2.gz KRCCHOUZZYZKLB-CQSZACIVSA-N 1 2 345.399 0.474 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732812868 578330039 /nfs/dbraw/zinc/33/00/39/578330039.db2.gz IAXUATYRJCEFBY-MNOVXSKESA-N 1 2 334.342 0.842 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732812868 578330040 /nfs/dbraw/zinc/33/00/40/578330040.db2.gz IAXUATYRJCEFBY-MNOVXSKESA-N 1 2 334.342 0.842 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000733160837 578333103 /nfs/dbraw/zinc/33/31/03/578333103.db2.gz AUQDAKNALVJMAV-MRXNPFEDSA-N 1 2 329.375 0.956 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CSCN2C(=O)c2ccccc2)CC1 ZINC000733162202 578333176 /nfs/dbraw/zinc/33/31/76/578333176.db2.gz KKBSNFHJFLJCOW-INIZCTEOSA-N 1 2 343.452 0.979 20 30 ECEDLO CN1CCN(S(=O)(=O)c2cccnc2N=NCc2[nH]cc[nH+]2)CC1 ZINC000734750455 578368167 /nfs/dbraw/zinc/36/81/67/578368167.db2.gz VGOOPIFMNBUCMO-UHFFFAOYSA-N 1 2 349.420 0.187 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000735431825 578384313 /nfs/dbraw/zinc/38/43/13/578384313.db2.gz JAPRLXILGAXRKX-UHFFFAOYSA-N 1 2 345.382 0.430 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)CN2C[C@](C)(C(=O)OCC)CC2=O)C1=O ZINC000799144018 578659537 /nfs/dbraw/zinc/65/95/37/578659537.db2.gz WFNJLZAWHQRKFW-SUMWQHHRSA-N 1 2 337.420 0.464 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)CN2C[C@](C)(C(=O)OCC)CC2=O)C1=O ZINC000799144018 578659538 /nfs/dbraw/zinc/65/95/38/578659538.db2.gz WFNJLZAWHQRKFW-SUMWQHHRSA-N 1 2 337.420 0.464 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1=O ZINC000799177129 578660636 /nfs/dbraw/zinc/66/06/36/578660636.db2.gz IEBFVLNSEKIXNX-AWEZNQCLSA-N 1 2 343.387 0.926 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1=O ZINC000799177129 578660637 /nfs/dbraw/zinc/66/06/37/578660637.db2.gz IEBFVLNSEKIXNX-AWEZNQCLSA-N 1 2 343.387 0.926 20 30 ECEDLO Cn1cc[nH+]c1CN1CCN(C(=O)NCc2ccc(C#N)cn2)CC1 ZINC000780657296 578698736 /nfs/dbraw/zinc/69/87/36/578698736.db2.gz BTRBIAVTIVIKKV-UHFFFAOYSA-N 1 2 339.403 0.714 20 30 ECEDLO N#Cc1ccc(CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)nc1 ZINC000782019410 578718833 /nfs/dbraw/zinc/71/88/33/578718833.db2.gz XCDYUGKOUYIITA-UHFFFAOYSA-N 1 2 336.399 0.787 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)OC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000782266421 578722268 /nfs/dbraw/zinc/72/22/68/578722268.db2.gz KWLZOGVPVWFUIL-CYBMUJFWSA-N 1 2 331.372 0.552 20 30 ECEDLO C#CCCCNC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000785440541 578769373 /nfs/dbraw/zinc/76/93/73/578769373.db2.gz AKJSMCOKBDBXBI-UHFFFAOYSA-N 1 2 343.427 0.665 20 30 ECEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1cc(C#N)ccc1F ZINC000789751583 578858874 /nfs/dbraw/zinc/85/88/74/578858874.db2.gz CNYKCZYXTIPJGA-LLVKDONJSA-N 1 2 329.335 0.715 20 30 ECEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1cc(C#N)ccc1F ZINC000789751589 578858972 /nfs/dbraw/zinc/85/89/72/578858972.db2.gz CNYKCZYXTIPJGA-NSHDSACASA-N 1 2 329.335 0.715 20 30 ECEDLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)CC(C)(C)C#N)CC1 ZINC000790017341 578865749 /nfs/dbraw/zinc/86/57/49/578865749.db2.gz BQPHCAQGCARWKA-UHFFFAOYSA-N 1 2 330.454 0.008 20 30 ECEDLO CC(C)(C)n1cc(C=NNC(=S)NCC[NH+]2CCOCC2)nn1 ZINC000790143403 578868895 /nfs/dbraw/zinc/86/88/95/578868895.db2.gz IENPAKPNBGDBLD-UHFFFAOYSA-N 1 2 339.469 0.163 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2cnn(CCO)c2-c2ccccc2)CC1 ZINC000793494552 578929583 /nfs/dbraw/zinc/92/95/83/578929583.db2.gz ZUSZGVVVUYHGLY-UHFFFAOYSA-N 1 2 338.411 0.933 20 30 ECEDLO COc1ccc(C(N)=[NH+]OCC(=O)N2CCOC[C@@H]2C2CC2)cc1 ZINC000765528236 579068512 /nfs/dbraw/zinc/06/85/12/579068512.db2.gz AJICKYCICCRTCQ-OAHLLOKOSA-N 1 2 333.388 0.970 20 30 ECEDLO C#C[C@H](NC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)[C@H]1CCCO1 ZINC000773553174 579229769 /nfs/dbraw/zinc/22/97/69/579229769.db2.gz BIGCSJNZXGEFAP-CWRNSKLLSA-N 1 2 348.447 0.162 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1)[C@H]1CCCO1 ZINC000773786880 579233660 /nfs/dbraw/zinc/23/36/60/579233660.db2.gz HMBHGWJWCXMYMK-UONOGXRCSA-N 1 2 326.356 0.878 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C)[C@H]1CCCO1 ZINC000773792739 579234094 /nfs/dbraw/zinc/23/40/94/579234094.db2.gz FJASIZOJGRIRSF-TZMCWYRMSA-N 1 2 330.388 0.692 20 30 ECEDLO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000776877099 579290166 /nfs/dbraw/zinc/29/01/66/579290166.db2.gz MKKGLOAPIGHRRO-ZDUSSCGKSA-N 1 2 335.371 0.959 20 30 ECEDLO N#CCn1c(=O)c2ccccc2nc1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000776877099 579290167 /nfs/dbraw/zinc/29/01/67/579290167.db2.gz MKKGLOAPIGHRRO-ZDUSSCGKSA-N 1 2 335.371 0.959 20 30 ECEDLO CCNC(=O)C[NH+]1CCN([C@@H](C(=O)OC)c2ccc(C#N)cc2)CC1 ZINC000739904921 579721426 /nfs/dbraw/zinc/72/14/26/579721426.db2.gz VCJMLJTUTOLHRQ-QGZVFWFLSA-N 1 2 344.415 0.526 20 30 ECEDLO CC(C)C[N@H+](CCC#N)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000739914904 579722026 /nfs/dbraw/zinc/72/20/26/579722026.db2.gz RUQMFZBWPCGOED-UHFFFAOYSA-N 1 2 330.436 0.997 20 30 ECEDLO CC(C)C[N@@H+](CCC#N)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000739914904 579722028 /nfs/dbraw/zinc/72/20/28/579722028.db2.gz RUQMFZBWPCGOED-UHFFFAOYSA-N 1 2 330.436 0.997 20 30 ECEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000741143550 579766442 /nfs/dbraw/zinc/76/64/42/579766442.db2.gz JVCDUOAOFDVMTK-LFPIHBKWSA-N 1 2 349.456 0.848 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2cc(S(=O)(=O)NC(C)C)c[nH]2)CC1 ZINC000746260315 579834649 /nfs/dbraw/zinc/83/46/49/579834649.db2.gz UOQYHYKTHXGPPI-UHFFFAOYSA-N 1 2 338.433 0.092 20 30 ECEDLO C[S@@](=O)CC[NH+]1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000746470187 579840088 /nfs/dbraw/zinc/84/00/88/579840088.db2.gz QNEXVLJVVVWNLH-NPMXOYFQSA-N 1 2 334.445 0.081 20 30 ECEDLO C#CCNC(=O)CO[NH+]=C(N)c1ccc(-n2nc(C)cc2C)nc1 ZINC000747832149 579855010 /nfs/dbraw/zinc/85/50/10/579855010.db2.gz POJRIKMVGXLERV-UHFFFAOYSA-N 1 2 326.360 0.480 20 30 ECEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000747840967 579855118 /nfs/dbraw/zinc/85/51/18/579855118.db2.gz WNOJZFIZLDRSLW-SJORKVTESA-N 1 2 334.464 0.932 20 30 ECEDLO O=C(C#CC1CC1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000837379621 588950241 /nfs/dbraw/zinc/95/02/41/588950241.db2.gz UEQYWESAYWWWLC-UHFFFAOYSA-N 1 2 326.400 0.650 20 30 ECEDLO C#CC[C@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)C(=O)OC ZINC000837943945 588966453 /nfs/dbraw/zinc/96/64/53/588966453.db2.gz YFUYRIVMRDKPKB-INIZCTEOSA-N 1 2 330.384 0.814 20 30 ECEDLO CC(C)(C=NN=C1NS(=O)(=O)c2ccccc21)[NH+]1CCOCC1 ZINC000841618578 588996728 /nfs/dbraw/zinc/99/67/28/588996728.db2.gz FDFYJTBDDKSNRG-UHFFFAOYSA-N 1 2 336.417 0.822 20 30 ECEDLO CC(C)(CN=Nc1ccc(S(N)(=O)=O)cn1)[NH+]1CCOCC1 ZINC000841618964 588996594 /nfs/dbraw/zinc/99/65/94/588996594.db2.gz YQPILORUFGCHCC-UHFFFAOYSA-N 1 2 327.410 0.238 20 30 ECEDLO CN1CC[NH+](CCCS(=O)(=O)Oc2ccc(F)nc2C#N)CC1 ZINC000867275524 589001848 /nfs/dbraw/zinc/00/18/48/589001848.db2.gz VLOVZLQLAZNGER-UHFFFAOYSA-N 1 2 342.396 0.438 20 30 ECEDLO COCCNC(=O)C[NH+]1CCN(c2cc(C)cc(F)c2C#N)CC1 ZINC000891602616 586181289 /nfs/dbraw/zinc/18/12/89/586181289.db2.gz RGCSKBBZTOWUCU-UHFFFAOYSA-N 1 2 334.395 0.890 20 30 ECEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc(C#N)cc2CO)CC1 ZINC000891653801 586185176 /nfs/dbraw/zinc/18/51/76/586185176.db2.gz MYKIJWLPRVTYNU-CYBMUJFWSA-N 1 2 328.416 0.840 20 30 ECEDLO C#CCNS(=O)(=O)N1CCN(Cc2c[nH+]c3ccc(C)cn23)CC1 ZINC000895916242 586212949 /nfs/dbraw/zinc/21/29/49/586212949.db2.gz XFJRCZACQCXGOB-UHFFFAOYSA-N 1 2 347.444 0.228 20 30 ECEDLO C=CCOC[C@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C(=O)OC ZINC000897632634 586353255 /nfs/dbraw/zinc/35/32/55/586353255.db2.gz SAQRFEZBJYHDSQ-KBPBESRZSA-N 1 2 336.392 0.650 20 30 ECEDLO C=CCOC[C@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C(=O)OC ZINC000897632634 586353257 /nfs/dbraw/zinc/35/32/57/586353257.db2.gz SAQRFEZBJYHDSQ-KBPBESRZSA-N 1 2 336.392 0.650 20 30 ECEDLO C=CCOC[C@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1)C(=O)OC ZINC000897632634 586353258 /nfs/dbraw/zinc/35/32/58/586353258.db2.gz SAQRFEZBJYHDSQ-KBPBESRZSA-N 1 2 336.392 0.650 20 30 ECEDLO C=CCOC[C@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1)C(=O)OC ZINC000897632634 586353260 /nfs/dbraw/zinc/35/32/60/586353260.db2.gz SAQRFEZBJYHDSQ-KBPBESRZSA-N 1 2 336.392 0.650 20 30 ECEDLO C=CCOC[C@@H](NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C(=O)OC ZINC000897632637 586353363 /nfs/dbraw/zinc/35/33/63/586353363.db2.gz SAQRFEZBJYHDSQ-ZIAGYGMSSA-N 1 2 336.392 0.650 20 30 ECEDLO C=CCOC[C@@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C(=O)OC ZINC000897632637 586353367 /nfs/dbraw/zinc/35/33/67/586353367.db2.gz SAQRFEZBJYHDSQ-ZIAGYGMSSA-N 1 2 336.392 0.650 20 30 ECEDLO C=CCOC[C@@H](NC(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1)C(=O)OC ZINC000897632637 586353370 /nfs/dbraw/zinc/35/33/70/586353370.db2.gz SAQRFEZBJYHDSQ-ZIAGYGMSSA-N 1 2 336.392 0.650 20 30 ECEDLO C=CCOC[C@@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1)C(=O)OC ZINC000897632637 586353373 /nfs/dbraw/zinc/35/33/73/586353373.db2.gz SAQRFEZBJYHDSQ-ZIAGYGMSSA-N 1 2 336.392 0.650 20 30 ECEDLO C#CC[C@H]1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000888234696 586419412 /nfs/dbraw/zinc/41/94/12/586419412.db2.gz PFAXDKPTHKWFDI-AWEZNQCLSA-N 1 2 341.477 0.550 20 30 ECEDLO CON=C(C(=O)N[C@@H]1CCC[N@H+](CCF)C1)c1csc(N)n1 ZINC000898503731 586428891 /nfs/dbraw/zinc/42/88/91/586428891.db2.gz LVNBALXJRIXLEC-SECBINFHSA-N 1 2 329.401 0.626 20 30 ECEDLO CON=C(C(=O)N[C@@H]1CCC[N@@H+](CCF)C1)c1csc(N)n1 ZINC000898503731 586428893 /nfs/dbraw/zinc/42/88/93/586428893.db2.gz LVNBALXJRIXLEC-SECBINFHSA-N 1 2 329.401 0.626 20 30 ECEDLO C[C@H](Oc1ccccc1C#N)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899055306 586464929 /nfs/dbraw/zinc/46/49/29/586464929.db2.gz KZHMRLXMJQOBNF-AWEZNQCLSA-N 1 2 345.399 0.891 20 30 ECEDLO C[C@H](Oc1ccccc1C#N)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899055306 586464931 /nfs/dbraw/zinc/46/49/31/586464931.db2.gz KZHMRLXMJQOBNF-AWEZNQCLSA-N 1 2 345.399 0.891 20 30 ECEDLO Cc1c(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)cnn1CCC#N ZINC000899056780 586465921 /nfs/dbraw/zinc/46/59/21/586465921.db2.gz IKLYINNZSYZHAF-UHFFFAOYSA-N 1 2 333.392 0.284 20 30 ECEDLO Cc1c(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)cnn1CCC#N ZINC000899056780 586465923 /nfs/dbraw/zinc/46/59/23/586465923.db2.gz IKLYINNZSYZHAF-UHFFFAOYSA-N 1 2 333.392 0.284 20 30 ECEDLO COc1ccccc1[C@H](O)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000900456276 586632668 /nfs/dbraw/zinc/63/26/68/586632668.db2.gz KRFLGCDPLDMIIF-KRWDZBQOSA-N 1 2 347.415 0.803 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H](CO)NC(=O)OCc2ccccc2)CC1 ZINC000900690314 586656512 /nfs/dbraw/zinc/65/65/12/586656512.db2.gz PZNCVVFNMFKDAD-INIZCTEOSA-N 1 2 345.399 0.051 20 30 ECEDLO CCOc1ccc(C=NNC(=S)NCC[NH+]2CCOCC2)o1 ZINC000901130175 586695609 /nfs/dbraw/zinc/69/56/09/586695609.db2.gz MYXOYSNMLJUHRV-UHFFFAOYSA-N 1 2 326.422 0.809 20 30 ECEDLO Cc1cc(F)ncc1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000901129982 586695613 /nfs/dbraw/zinc/69/56/13/586695613.db2.gz LGFAPFWLOZDCJM-UHFFFAOYSA-N 1 2 325.413 0.659 20 30 ECEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(C[C@H]2C[C@]23CCOC3)c1=O ZINC000902417083 586736570 /nfs/dbraw/zinc/73/65/70/586736570.db2.gz BILMNAUEOXCZCV-AEFFLSMTSA-N 1 2 329.400 0.979 20 30 ECEDLO Cc1nn(C)c(N2CCN(C(=O)CNc3cccc[nH+]3)CC2)c1C#N ZINC000907664871 586749382 /nfs/dbraw/zinc/74/93/82/586749382.db2.gz VAKLVDJGZGSBFA-UHFFFAOYSA-N 1 2 339.403 0.756 20 30 ECEDLO CC1(C)CN(C(=O)CO[NH+]=C(N)c2ccc3c(c2)CCO3)CCO1 ZINC000902721582 586755455 /nfs/dbraw/zinc/75/54/55/586755455.db2.gz BTYKJQSODZUZEI-UHFFFAOYSA-N 1 2 333.388 0.896 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@@H](F)C3)CC2)o1 ZINC000902997237 586764534 /nfs/dbraw/zinc/76/45/34/586764534.db2.gz RPXQCVVQBQFWLR-CYBMUJFWSA-N 1 2 335.383 0.937 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@@H](F)C3)CC2)o1 ZINC000902997237 586764535 /nfs/dbraw/zinc/76/45/35/586764535.db2.gz RPXQCVVQBQFWLR-CYBMUJFWSA-N 1 2 335.383 0.937 20 30 ECEDLO C#CCNC(=O)CN1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC000906556215 586953500 /nfs/dbraw/zinc/95/35/00/586953500.db2.gz NPNACKXDAWCKCZ-UHFFFAOYSA-N 1 2 328.416 0.514 20 30 ECEDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)Cc1cccc(OCC#N)c1 ZINC000807283025 587123860 /nfs/dbraw/zinc/12/38/60/587123860.db2.gz UQPQGKZYAQJDKE-HNNXBMFYSA-N 1 2 342.355 0.686 20 30 ECEDLO COc1cccc(N[NH+]=Cc2c(=O)n(C)c(=O)n(C)c2N(C)C)c1 ZINC000807960238 587140528 /nfs/dbraw/zinc/14/05/28/587140528.db2.gz OTEOYIYHXWWGEF-UHFFFAOYSA-N 1 2 331.376 0.605 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000810213556 587191384 /nfs/dbraw/zinc/19/13/84/587191384.db2.gz DGFZTIYFDDSGRF-UHFFFAOYSA-N 1 2 335.429 0.051 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000810214063 587191418 /nfs/dbraw/zinc/19/14/18/587191418.db2.gz MXDAEUVUYKEGJF-UHFFFAOYSA-N 1 2 349.456 0.359 20 30 ECEDLO C[C@@H](C(=O)O[C@@H]1CCC[N@H+](Cc2ncccn2)C1)n1cnc(C#N)n1 ZINC000810741021 587202567 /nfs/dbraw/zinc/20/25/67/587202567.db2.gz VSDNIZFNCJRFMM-QWHCGFSZSA-N 1 2 341.375 0.709 20 30 ECEDLO C[C@@H](C(=O)O[C@@H]1CCC[N@@H+](Cc2ncccn2)C1)n1cnc(C#N)n1 ZINC000810741021 587202568 /nfs/dbraw/zinc/20/25/68/587202568.db2.gz VSDNIZFNCJRFMM-QWHCGFSZSA-N 1 2 341.375 0.709 20 30 ECEDLO COc1cccc(O)c1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000812487392 587238445 /nfs/dbraw/zinc/23/84/45/587238445.db2.gz MNOKWUYMPPTZTO-UHFFFAOYSA-N 1 2 338.433 0.531 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000812757315 587242520 /nfs/dbraw/zinc/24/25/20/587242520.db2.gz BKTDPSRATXKUPU-KRWDZBQOSA-N 1 2 340.427 0.655 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000812757315 587242521 /nfs/dbraw/zinc/24/25/21/587242521.db2.gz BKTDPSRATXKUPU-KRWDZBQOSA-N 1 2 340.427 0.655 20 30 ECEDLO O=C(N[C@H]1CCCN(O)C1=O)c1ccccc1C[NH+]1CCOCC1 ZINC000816758746 587324701 /nfs/dbraw/zinc/32/47/01/587324701.db2.gz WRDOCSWXNPGNDQ-HNNXBMFYSA-N 1 2 333.388 0.629 20 30 ECEDLO CCN(CC)S(=O)(=O)N1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000819903385 587495767 /nfs/dbraw/zinc/49/57/67/587495767.db2.gz JZUIYPINBXVKPN-UHFFFAOYSA-N 1 2 337.449 0.970 20 30 ECEDLO CN1CC[NH+](Cc2ccc(C(=O)N[C@@H]3CCN(O)C3=O)cc2)CC1 ZINC000820156828 587514019 /nfs/dbraw/zinc/51/40/19/587514019.db2.gz OKHSZDZYZKOSRA-OAHLLOKOSA-N 1 2 332.404 0.154 20 30 ECEDLO C#C[C@@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000820600273 587543460 /nfs/dbraw/zinc/54/34/60/587543460.db2.gz VNVIPPRGGYJJHY-DLBZAZTESA-N 1 2 331.416 0.695 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2oc(S(N)(=O)=O)cc2C)CC1 ZINC000825077795 587915642 /nfs/dbraw/zinc/91/56/42/587915642.db2.gz ILVRQZMXYYFQME-UHFFFAOYSA-N 1 2 325.390 0.017 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000825904867 587971187 /nfs/dbraw/zinc/97/11/87/587971187.db2.gz HILHSYRZZAPDJP-IAGOWNOFSA-N 1 2 346.427 0.609 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000826381413 588036322 /nfs/dbraw/zinc/03/63/22/588036322.db2.gz KRPPQHXOAONAFX-UHFFFAOYSA-N 1 2 342.407 0.310 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](Cc3ccnc(-c4nn[nH]n4)c3)CC2)nc1 ZINC000826385440 588037407 /nfs/dbraw/zinc/03/74/07/588037407.db2.gz MNEFPTJVMOCZHP-UHFFFAOYSA-N 1 2 347.386 0.851 20 30 ECEDLO COc1cc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)ccc1C#N ZINC000829806149 588342739 /nfs/dbraw/zinc/34/27/39/588342739.db2.gz GXTVJRMKYBZZSG-HNNXBMFYSA-N 1 2 333.388 0.332 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C(C)=C/c2ccncc2)CC1 ZINC000847445875 589247076 /nfs/dbraw/zinc/24/70/76/589247076.db2.gz IEWOQXMVGVLVHY-JQIJEIRASA-N 1 2 340.427 0.769 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C(C)=C/c2ccncc2)CC1 ZINC000847445875 589247077 /nfs/dbraw/zinc/24/70/77/589247077.db2.gz IEWOQXMVGVLVHY-JQIJEIRASA-N 1 2 340.427 0.769 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C(C)=C/c2ccco2)CC1 ZINC000847446951 589247289 /nfs/dbraw/zinc/24/72/89/589247289.db2.gz VCQJEOZQLXRSMM-FYWRMAATSA-N 1 2 329.400 0.967 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C(C)=C/c2ccco2)CC1 ZINC000847446951 589247291 /nfs/dbraw/zinc/24/72/91/589247291.db2.gz VCQJEOZQLXRSMM-FYWRMAATSA-N 1 2 329.400 0.967 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cnc3cccc(OC)c3c2=O)CC1 ZINC000849935738 589353690 /nfs/dbraw/zinc/35/36/90/589353690.db2.gz UAZHSZPAHZZJBR-UHFFFAOYSA-N 1 2 340.383 0.183 20 30 ECEDLO C#Cc1cccc(NC(=O)C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000850595710 589370690 /nfs/dbraw/zinc/37/06/90/589370690.db2.gz ZZSRRGSGZNMPGE-UONOGXRCSA-N 1 2 329.400 0.832 20 30 ECEDLO C#Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000850595710 589370691 /nfs/dbraw/zinc/37/06/91/589370691.db2.gz ZZSRRGSGZNMPGE-UONOGXRCSA-N 1 2 329.400 0.832 20 30 ECEDLO C#Cc1cccc(NC(=O)C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000850595708 589370756 /nfs/dbraw/zinc/37/07/56/589370756.db2.gz ZZSRRGSGZNMPGE-KGLIPLIRSA-N 1 2 329.400 0.832 20 30 ECEDLO C#Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000850595708 589370757 /nfs/dbraw/zinc/37/07/57/589370757.db2.gz ZZSRRGSGZNMPGE-KGLIPLIRSA-N 1 2 329.400 0.832 20 30 ECEDLO C#Cc1cccc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000850629176 589374134 /nfs/dbraw/zinc/37/41/34/589374134.db2.gz LWQHNJXZTQWFEE-MRXNPFEDSA-N 1 2 327.384 0.540 20 30 ECEDLO C#CCCN(CCOC)C(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000850711868 589381434 /nfs/dbraw/zinc/38/14/34/589381434.db2.gz GYMDZZZOHDLLAI-CQSZACIVSA-N 1 2 332.404 0.234 20 30 ECEDLO COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)CC1(C#N)CCOCC1 ZINC000851101206 589395614 /nfs/dbraw/zinc/39/56/14/589395614.db2.gz AIDDRUJDFFCOQI-HUUCEWRRSA-N 1 2 340.420 0.976 20 30 ECEDLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)CC1(C#N)CCOCC1 ZINC000851101206 589395616 /nfs/dbraw/zinc/39/56/16/589395616.db2.gz AIDDRUJDFFCOQI-HUUCEWRRSA-N 1 2 340.420 0.976 20 30 ECEDLO C#CCOCC[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000851715371 589418076 /nfs/dbraw/zinc/41/80/76/589418076.db2.gz RRHSQUBAKBROBZ-UHFFFAOYSA-N 1 2 326.393 0.782 20 30 ECEDLO C=CC[N@@H+](C[C@](O)(C(N)=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000851840842 589427924 /nfs/dbraw/zinc/42/79/24/589427924.db2.gz JNCNPMNAOWWFEJ-GOEBONIOSA-N 1 2 338.429 0.035 20 30 ECEDLO C=CC[N@H+](C[C@](O)(C(N)=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000851840842 589427926 /nfs/dbraw/zinc/42/79/26/589427926.db2.gz JNCNPMNAOWWFEJ-GOEBONIOSA-N 1 2 338.429 0.035 20 30 ECEDLO N#Cc1ccc(NCCNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)nc1 ZINC000851981904 589435734 /nfs/dbraw/zinc/43/57/34/589435734.db2.gz LNGFGIVQRKUVPP-OAHLLOKOSA-N 1 2 344.419 0.481 20 30 ECEDLO C[C@@H]1CN(C(=O)C[NH+]2CCN(c3ccsc3C#N)CC2)CCO1 ZINC000852343997 589492003 /nfs/dbraw/zinc/49/20/03/589492003.db2.gz KBWSPOCGDKUIPS-CYBMUJFWSA-N 1 2 334.445 0.989 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000852489232 589498309 /nfs/dbraw/zinc/49/83/09/589498309.db2.gz CHVUGRQINRYQEE-UHFFFAOYSA-N 1 2 348.410 0.820 20 30 ECEDLO CC1CCC(N(C)C(=O)CO[NH+]=C(N)CN2CCOCC2)CC1 ZINC000111182259 589538267 /nfs/dbraw/zinc/53/82/67/589538267.db2.gz HMODRJLVDJCWQV-UHFFFAOYSA-N 1 2 326.441 0.645 20 30 ECEDLO CCc1nc(C#N)cc(NC2CC[NH+](CCS(C)(=O)=O)CC2)n1 ZINC000853308680 589540333 /nfs/dbraw/zinc/54/03/33/589540333.db2.gz RSAXWNNKKOLFFM-UHFFFAOYSA-N 1 2 337.449 0.832 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2c(=O)[nH][nH]c2=O)cc1 ZINC000854432022 589585698 /nfs/dbraw/zinc/58/56/98/589585698.db2.gz HZXQFYWBRZWKFK-ZDUSSCGKSA-N 1 2 327.344 0.715 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2c(=O)[nH][nH]c2=O)cc1 ZINC000854432022 589585699 /nfs/dbraw/zinc/58/56/99/589585699.db2.gz HZXQFYWBRZWKFK-ZDUSSCGKSA-N 1 2 327.344 0.715 20 30 ECEDLO C#CCCCS(=O)(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000856531339 589666596 /nfs/dbraw/zinc/66/65/96/589666596.db2.gz OMMPRHBHASAGAL-LSDHHAIUSA-N 1 2 335.429 0.580 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCOC(=O)N3)CC2)cc1 ZINC000858154466 589727838 /nfs/dbraw/zinc/72/78/38/589727838.db2.gz IXGAVWRVNSGHFQ-OAHLLOKOSA-N 1 2 328.372 0.701 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C(c1ccnn1C)c1ccnn1C ZINC000860077789 589742226 /nfs/dbraw/zinc/74/22/26/589742226.db2.gz WDXCVYOCLNPKIQ-NSHDSACASA-N 1 2 345.407 0.233 20 30 ECEDLO C[C@H]([NH2+]C(c1ccnn1C)c1ccnn1C)C(=O)N(C)CCC#N ZINC000860077393 589742250 /nfs/dbraw/zinc/74/22/50/589742250.db2.gz QEUQYPOEMPOPEY-LBPRGKRZSA-N 1 2 329.408 0.593 20 30 ECEDLO C#CCOc1ccccc1OS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000866748897 589767860 /nfs/dbraw/zinc/76/78/60/589767860.db2.gz CEXWNJXXULKGIG-CYBMUJFWSA-N 1 2 325.386 0.738 20 30 ECEDLO C#CCOc1ccccc1OS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000866748897 589767861 /nfs/dbraw/zinc/76/78/61/589767861.db2.gz CEXWNJXXULKGIG-CYBMUJFWSA-N 1 2 325.386 0.738 20 30 ECEDLO C[C@@H](CNS(=O)(=O)c1cc(F)cc(C#N)c1)C[NH+]1CCOCC1 ZINC000866825185 589783539 /nfs/dbraw/zinc/78/35/39/589783539.db2.gz YJCBDGQORHJULT-LBPRGKRZSA-N 1 2 341.408 0.944 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2conc2C(C)C)CC1 ZINC000859224657 589809013 /nfs/dbraw/zinc/80/90/13/589809013.db2.gz GFVLSBQNPOBNAE-UHFFFAOYSA-N 1 2 332.404 0.695 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2conc2C(C)C)CC1 ZINC000859224657 589809015 /nfs/dbraw/zinc/80/90/15/589809015.db2.gz GFVLSBQNPOBNAE-UHFFFAOYSA-N 1 2 332.404 0.695 20 30 ECEDLO N#Cc1ccc2c(c1)C[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)C2 ZINC000867861873 589855325 /nfs/dbraw/zinc/85/53/25/589855325.db2.gz JYEIIJZUHIEHIH-QGZVFWFLSA-N 1 2 349.456 0.667 20 30 ECEDLO COCCCNC(=O)[C@H](C#N)C(=O)Cc1cn2cc(F)ccc2[nH+]1 ZINC000870134188 590001949 /nfs/dbraw/zinc/00/19/49/590001949.db2.gz KKWWTUDCUMDUIZ-CYBMUJFWSA-N 1 2 332.335 0.877 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC(c1ccnn1C)c1ccnn1C ZINC000863647347 590028642 /nfs/dbraw/zinc/02/86/42/590028642.db2.gz IWFFGDAZVQWNBN-HNNXBMFYSA-N 1 2 326.404 0.457 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC(c1ccnn1C)c1ccnn1C ZINC000863647347 590028644 /nfs/dbraw/zinc/02/86/44/590028644.db2.gz IWFFGDAZVQWNBN-HNNXBMFYSA-N 1 2 326.404 0.457 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(COC)n2Cc2cc(C)on2)CC1 ZINC000871471028 590072250 /nfs/dbraw/zinc/07/22/50/590072250.db2.gz CJUNIPAMNAPCEV-UHFFFAOYSA-N 1 2 330.392 0.524 20 30 ECEDLO COCCOCC[NH+]1CCN(C(=O)Nc2cc(CC#N)ccn2)CC1 ZINC000871735180 590085793 /nfs/dbraw/zinc/08/57/93/590085793.db2.gz HYMMHKYXIARXLA-UHFFFAOYSA-N 1 2 347.419 0.960 20 30 ECEDLO Cc1cccc(C#N)c1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000871807585 590087734 /nfs/dbraw/zinc/08/77/34/590087734.db2.gz PXIMGCSFEUSDRA-CQSZACIVSA-N 1 2 345.428 0.935 20 30 ECEDLO CC[C@H]1COCC[N@@H+]1CCNS(=O)(=O)N(CC)C[C@H](C)C#N ZINC000872645938 590137230 /nfs/dbraw/zinc/13/72/30/590137230.db2.gz VAFRXXKZZIOQSW-KGLIPLIRSA-N 1 2 332.470 0.413 20 30 ECEDLO CC[C@H]1COCC[N@H+]1CCNS(=O)(=O)N(CC)C[C@H](C)C#N ZINC000872645938 590137231 /nfs/dbraw/zinc/13/72/31/590137231.db2.gz VAFRXXKZZIOQSW-KGLIPLIRSA-N 1 2 332.470 0.413 20 30 ECEDLO C[N@@H+]1CCn2nc(NC(=O)C(=O)N3CCC[C@](C)(C#N)C3)cc2C1 ZINC000873798498 590202221 /nfs/dbraw/zinc/20/22/21/590202221.db2.gz IIEVWGAEQAMUSS-MRXNPFEDSA-N 1 2 330.392 0.419 20 30 ECEDLO C[N@H+]1CCn2nc(NC(=O)C(=O)N3CCC[C@](C)(C#N)C3)cc2C1 ZINC000873798498 590202222 /nfs/dbraw/zinc/20/22/22/590202222.db2.gz IIEVWGAEQAMUSS-MRXNPFEDSA-N 1 2 330.392 0.419 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CN3CCOC3=O)CC2)cc1 ZINC000873816591 590203457 /nfs/dbraw/zinc/20/34/57/590203457.db2.gz IWXGGSXEBCHGPA-UHFFFAOYSA-N 1 2 328.372 0.655 20 30 ECEDLO C[C@@H](C#N)CN(C(=O)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2)C1CC1 ZINC000873836428 590204908 /nfs/dbraw/zinc/20/49/08/590204908.db2.gz SYQGENSJPHVIJD-NSHDSACASA-N 1 2 330.392 0.418 20 30 ECEDLO C[C@@H](C#N)CN(C(=O)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2)C1CC1 ZINC000873836428 590204909 /nfs/dbraw/zinc/20/49/09/590204909.db2.gz SYQGENSJPHVIJD-NSHDSACASA-N 1 2 330.392 0.418 20 30 ECEDLO C#Cc1cccc(NC(=O)C(=O)NCC[N@H+]2CCOC[C@H]2CC)c1 ZINC000874346396 590233076 /nfs/dbraw/zinc/23/30/76/590233076.db2.gz TVBYKSQKJJCNFJ-MRXNPFEDSA-N 1 2 329.400 0.833 20 30 ECEDLO C#Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCOC[C@H]2CC)c1 ZINC000874346396 590233078 /nfs/dbraw/zinc/23/30/78/590233078.db2.gz TVBYKSQKJJCNFJ-MRXNPFEDSA-N 1 2 329.400 0.833 20 30 ECEDLO C#C[C@H]1CC[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000874864759 590255311 /nfs/dbraw/zinc/25/53/11/590255311.db2.gz SOXBGQMZWWGGBR-ULQDDVLXSA-N 1 2 347.459 0.475 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000874999949 590262237 /nfs/dbraw/zinc/26/22/37/590262237.db2.gz KCEGONVVPLXKHF-CYBMUJFWSA-N 1 2 328.372 0.495 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000875020006 590262938 /nfs/dbraw/zinc/26/29/38/590262938.db2.gz GBLKBVIDXFULPE-AWEZNQCLSA-N 1 2 341.371 0.038 20 30 ECEDLO C#CCCCNC(=O)C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000875239551 590286023 /nfs/dbraw/zinc/28/60/23/590286023.db2.gz GXTYXYFTDBWNSK-UHFFFAOYSA-N 1 2 331.420 0.966 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000875245345 590286812 /nfs/dbraw/zinc/28/68/12/590286812.db2.gz MBQPGRQSHFRILH-CQSZACIVSA-N 1 2 328.372 0.495 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000875286500 590290343 /nfs/dbraw/zinc/29/03/43/590290343.db2.gz BJXUPJZAQFHCBC-HOCLYGCPSA-N 1 2 329.400 0.444 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000875286500 590290344 /nfs/dbraw/zinc/29/03/44/590290344.db2.gz BJXUPJZAQFHCBC-HOCLYGCPSA-N 1 2 329.400 0.444 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000875602831 590313848 /nfs/dbraw/zinc/31/38/48/590313848.db2.gz MSNPCZAQTJELTK-ZIAGYGMSSA-N 1 2 332.404 0.281 20 30 ECEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879611939 590328573 /nfs/dbraw/zinc/32/85/73/590328573.db2.gz MYSNXNBBKUBSGO-IMJJTQAJSA-N 1 2 347.415 0.758 20 30 ECEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879611939 590328575 /nfs/dbraw/zinc/32/85/75/590328575.db2.gz MYSNXNBBKUBSGO-IMJJTQAJSA-N 1 2 347.415 0.758 20 30 ECEDLO C#C[C@H]1COCCN1C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000875886309 590342551 /nfs/dbraw/zinc/34/25/51/590342551.db2.gz JATQONNLUKCWNB-IRXDYDNUSA-N 1 2 344.415 0.326 20 30 ECEDLO C#C[C@H]1COCCN1C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000875886309 590342554 /nfs/dbraw/zinc/34/25/54/590342554.db2.gz JATQONNLUKCWNB-IRXDYDNUSA-N 1 2 344.415 0.326 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)CC1 ZINC000880058322 590364009 /nfs/dbraw/zinc/36/40/09/590364009.db2.gz WAMXBESPXPHXSA-KBPBESRZSA-N 1 2 347.381 0.806 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)CC1 ZINC000880058322 590364012 /nfs/dbraw/zinc/36/40/12/590364012.db2.gz WAMXBESPXPHXSA-KBPBESRZSA-N 1 2 347.381 0.806 20 30 ECEDLO C[C@H]1CN(C(=O)Nc2cc3n(n2)CC[N@H+](C)C3)C[C@H](C)N1CC#N ZINC000880822219 590422769 /nfs/dbraw/zinc/42/27/69/590422769.db2.gz PUWBWRQWVGJBAN-STQMWFEESA-N 1 2 331.424 0.779 20 30 ECEDLO C[C@H]1CN(C(=O)Nc2cc3n(n2)CC[N@@H+](C)C3)C[C@H](C)N1CC#N ZINC000880822219 590422770 /nfs/dbraw/zinc/42/27/70/590422770.db2.gz PUWBWRQWVGJBAN-STQMWFEESA-N 1 2 331.424 0.779 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC[C@@H]2CC(C)(C)CO2)CC1 ZINC000878737191 590539005 /nfs/dbraw/zinc/53/90/05/590539005.db2.gz GZDUUXDZPYMKGQ-MRXNPFEDSA-N 1 2 349.475 0.865 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC[C@@H]2CC(C)(C)CO2)CC1 ZINC000878737191 590539007 /nfs/dbraw/zinc/53/90/07/590539007.db2.gz GZDUUXDZPYMKGQ-MRXNPFEDSA-N 1 2 349.475 0.865 20 30 ECEDLO CO[C@@H]1C[C@H]2C[N@H+](CC(=O)NCCC#N)Cc3cccnc3N2C1 ZINC000879272220 590576061 /nfs/dbraw/zinc/57/60/61/590576061.db2.gz NZIFDMRISYELHZ-LSDHHAIUSA-N 1 2 329.404 0.521 20 30 ECEDLO CO[C@@H]1C[C@H]2C[N@@H+](CC(=O)NCCC#N)Cc3cccnc3N2C1 ZINC000879272220 590576063 /nfs/dbraw/zinc/57/60/63/590576063.db2.gz NZIFDMRISYELHZ-LSDHHAIUSA-N 1 2 329.404 0.521 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc3c(c2)nnn3C)C1 ZINC000885509675 590729024 /nfs/dbraw/zinc/72/90/24/590729024.db2.gz WFODFBUODRTBLD-LBPRGKRZSA-N 1 2 333.417 0.344 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc3c(c2)nnn3C)C1 ZINC000885509675 590729030 /nfs/dbraw/zinc/72/90/30/590729030.db2.gz WFODFBUODRTBLD-LBPRGKRZSA-N 1 2 333.417 0.344 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2occc2C(=O)OC)C1 ZINC000885508439 590729057 /nfs/dbraw/zinc/72/90/57/590729057.db2.gz HCXLMSVIJAEWFX-LLVKDONJSA-N 1 2 326.374 0.442 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2occc2C(=O)OC)C1 ZINC000885508439 590729062 /nfs/dbraw/zinc/72/90/62/590729062.db2.gz HCXLMSVIJAEWFX-LLVKDONJSA-N 1 2 326.374 0.442 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)[C@H](CCC)C(=O)OCC)C1 ZINC000885509835 590729364 /nfs/dbraw/zinc/72/93/64/590729364.db2.gz XTRFESSKYNBRPT-ZIAGYGMSSA-N 1 2 330.450 0.735 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)[C@H](CCC)C(=O)OCC)C1 ZINC000885509835 590729367 /nfs/dbraw/zinc/72/93/67/590729367.db2.gz XTRFESSKYNBRPT-ZIAGYGMSSA-N 1 2 330.450 0.735 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000884065062 590729685 /nfs/dbraw/zinc/72/96/85/590729685.db2.gz BUPKWSQEJJBHMR-INIZCTEOSA-N 1 2 342.399 0.978 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000885513630 590730584 /nfs/dbraw/zinc/73/05/84/590730584.db2.gz ASQJXKHYINXPSX-CYBMUJFWSA-N 1 2 336.413 0.834 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000885513630 590730588 /nfs/dbraw/zinc/73/05/88/590730588.db2.gz ASQJXKHYINXPSX-CYBMUJFWSA-N 1 2 336.413 0.834 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000884136941 590751972 /nfs/dbraw/zinc/75/19/72/590751972.db2.gz ZLUHMTQLNVBUFX-KBPBESRZSA-N 1 2 337.420 0.294 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000136895981 590796881 /nfs/dbraw/zinc/79/68/81/590796881.db2.gz AJWZCALVYRHAJH-MRXNPFEDSA-N 1 2 348.403 0.548 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1Cc2ccccc2C[C@H]1C(=O)OC ZINC000884307600 590801183 /nfs/dbraw/zinc/80/11/83/590801183.db2.gz NSCLHIZBLCHEIE-GJZGRUSLSA-N 1 2 346.383 0.560 20 30 ECEDLO C=CCC1(O)CC[NH+]([C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000886755971 590880384 /nfs/dbraw/zinc/88/03/84/590880384.db2.gz YHJYLMAHWMTPCC-UONOGXRCSA-N 1 2 344.477 0.423 20 30 ECEDLO COCC(COC)[NH+]1CCN(C(=O)Nc2ccc(C#N)cn2)CC1 ZINC000889239369 591046329 /nfs/dbraw/zinc/04/63/29/591046329.db2.gz PMFUBOXMVXONRJ-UHFFFAOYSA-N 1 2 333.392 0.764 20 30 ECEDLO CN(Cc1cc(C#N)cs1)C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000930522769 611439879 /nfs/dbraw/zinc/43/98/79/611439879.db2.gz QOCLXXHSKKBCCZ-LBPRGKRZSA-N 1 2 343.412 0.906 20 30 ECEDLO C#CC1(O)CC[NH+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC1 ZINC000931147490 611511097 /nfs/dbraw/zinc/51/10/97/611511097.db2.gz ZPYPRQROUQJWKJ-UHFFFAOYSA-N 1 2 329.400 0.787 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC2(CC1)C[N@@H+]([C@@H]1CCNC1=O)CCO2 ZINC000949433496 608677289 /nfs/dbraw/zinc/67/72/89/608677289.db2.gz WYWUQSJLKMOYER-CQSZACIVSA-N 1 2 335.448 0.781 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC2(CC1)C[N@H+]([C@@H]1CCNC1=O)CCO2 ZINC000949433496 608677291 /nfs/dbraw/zinc/67/72/91/608677291.db2.gz WYWUQSJLKMOYER-CQSZACIVSA-N 1 2 335.448 0.781 20 30 ECEDLO COc1ccc(CC(N)=[NH+]OCC(=O)N(C)Cc2cnn(C)c2)cc1 ZINC000177563671 608936410 /nfs/dbraw/zinc/93/64/10/608936410.db2.gz VNDMRRDEPWYCCH-UHFFFAOYSA-N 1 2 345.403 0.919 20 30 ECEDLO C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923780299 608936475 /nfs/dbraw/zinc/93/64/75/608936475.db2.gz DQPOFVKIUXXOSZ-MJBXVCDLSA-N 1 2 326.393 0.100 20 30 ECEDLO O=C(NCC#CCO)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000923782634 608941937 /nfs/dbraw/zinc/94/19/37/608941937.db2.gz TVEYCUNNYGOBLZ-UHFFFAOYSA-N 1 2 347.415 0.193 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)c1 ZINC000937796115 609089512 /nfs/dbraw/zinc/08/95/12/609089512.db2.gz PNGOWEBKIWDORM-ZDUSSCGKSA-N 1 2 326.360 0.573 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)c1 ZINC000937796115 609089513 /nfs/dbraw/zinc/08/95/13/609089513.db2.gz PNGOWEBKIWDORM-ZDUSSCGKSA-N 1 2 326.360 0.573 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC000937287293 609109688 /nfs/dbraw/zinc/10/96/88/609109688.db2.gz ABTBICVSOSVHOZ-JKQORVJESA-N 1 2 344.415 0.676 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3nc(C)no3)[C@@H](C)C2)nn1 ZINC000947791771 611692590 /nfs/dbraw/zinc/69/25/90/611692590.db2.gz FWGRJVYBELRLKS-WCQYABFASA-N 1 2 345.407 0.938 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(C)no3)[C@@H](C)C2)nn1 ZINC000947791771 611692592 /nfs/dbraw/zinc/69/25/92/611692592.db2.gz FWGRJVYBELRLKS-WCQYABFASA-N 1 2 345.407 0.938 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3nnc(C)o3)[C@@H](C)C2)nn1 ZINC000947792845 611693200 /nfs/dbraw/zinc/69/32/00/611693200.db2.gz TYFHYBXVORUQIH-AAEUAGOBSA-N 1 2 345.407 0.938 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(C)o3)[C@@H](C)C2)nn1 ZINC000947792845 611693202 /nfs/dbraw/zinc/69/32/02/611693202.db2.gz TYFHYBXVORUQIH-AAEUAGOBSA-N 1 2 345.407 0.938 20 30 ECEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cccc(C#CCO)c1 ZINC000908146566 609645106 /nfs/dbraw/zinc/64/51/06/609645106.db2.gz UOCVPCQICRVWRG-CRAIPNDOSA-N 1 2 328.412 0.966 20 30 ECEDLO Cn1cc([C@@H]2CN(C(=O)C#Cc3ccc4c(c3)OCO4)CC[NH2+]2)cn1 ZINC000913467078 609677275 /nfs/dbraw/zinc/67/72/75/609677275.db2.gz JKWKBTUIPFSSDD-HNNXBMFYSA-N 1 2 338.367 0.673 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2csc(C#N)c2)C[C@@H]1C ZINC000914191688 609863955 /nfs/dbraw/zinc/86/39/55/609863955.db2.gz CKVNHOBHSBUXQF-NWDGAFQWSA-N 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/nfs/dbraw/zinc/02/27/30/612022730.db2.gz ZIMAWBGKWNDHNZ-HNNXBMFYSA-N 1 2 343.431 0.167 20 30 ECEDLO N#Cc1cc(C(=O)N2CCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c[nH]1 ZINC000950517298 612049506 /nfs/dbraw/zinc/04/95/06/612049506.db2.gz LFVMPDSWPUJBFN-GFCCVEGCSA-N 1 2 326.360 0.573 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC000952944919 612135007 /nfs/dbraw/zinc/13/50/07/612135007.db2.gz NMSJFUKPTJLKHL-KSSFIOAISA-N 1 2 343.431 0.963 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC000952945256 612135211 /nfs/dbraw/zinc/13/52/11/612135211.db2.gz TZWNVQCUDPJPOE-SUMWQHHRSA-N 1 2 329.404 0.953 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC000952945254 612135213 /nfs/dbraw/zinc/13/52/13/612135213.db2.gz TZWNVQCUDPJPOE-DYVFJYSZSA-N 1 2 329.404 0.953 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000951957604 612152708 /nfs/dbraw/zinc/15/27/08/612152708.db2.gz DPNHXFYPHOECOX-OAHLLOKOSA-N 1 2 337.383 0.750 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)CCc2[nH]cc[nH+]2)cn1 ZINC000951377012 612193376 /nfs/dbraw/zinc/19/33/76/612193376.db2.gz NQJMUDKSNONJBW-HNNXBMFYSA-N 1 2 337.383 0.750 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000951416933 612218099 /nfs/dbraw/zinc/21/80/99/612218099.db2.gz UORBNDYDCAPHPR-IMJJTQAJSA-N 1 2 346.431 0.661 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCN1C(=O)C#CC1CC1 ZINC000952173240 612263922 /nfs/dbraw/zinc/26/39/22/612263922.db2.gz PQIDVTPLOGDWIK-RBSFLKMASA-N 1 2 326.400 0.654 20 30 ECEDLO CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CN(C(=O)C#CC2CC2)C1 ZINC000954607196 612443685 /nfs/dbraw/zinc/44/36/85/612443685.db2.gz VIZDGZGBLFJPDA-CQSZACIVSA-N 1 2 326.400 0.528 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC000952557513 612507711 /nfs/dbraw/zinc/50/77/11/612507711.db2.gz UPMYDYSKGUWMCF-CVEARBPZSA-N 1 2 326.400 0.888 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC(N(C)C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC000955442656 612589579 /nfs/dbraw/zinc/58/95/79/612589579.db2.gz HTIQIAOTGSFBSA-UHFFFAOYSA-N 1 2 343.391 0.103 20 30 ECEDLO C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000956832482 612603152 /nfs/dbraw/zinc/60/31/52/612603152.db2.gz DGFLLJADDAJEJC-QGZVFWFLSA-N 1 2 340.387 0.894 20 30 ECEDLO C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000956837932 612607458 /nfs/dbraw/zinc/60/74/58/612607458.db2.gz UCSFYIUBUSUIKM-INIZCTEOSA-N 1 2 326.360 0.573 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000954073193 612631007 /nfs/dbraw/zinc/63/10/07/612631007.db2.gz LLXOABKLSWHKEQ-UHFFFAOYSA-N 1 2 326.360 0.525 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000954073193 612631011 /nfs/dbraw/zinc/63/10/11/612631011.db2.gz LLXOABKLSWHKEQ-UHFFFAOYSA-N 1 2 326.360 0.525 20 30 ECEDLO C=CCn1cc(C(=O)N[C@]2(C)CCN(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC000956930723 612713809 /nfs/dbraw/zinc/71/38/09/612713809.db2.gz WHIZGJPWMKUTHY-MRXNPFEDSA-N 1 2 343.391 0.082 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(N(C)C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000954425897 612904546 /nfs/dbraw/zinc/90/45/46/612904546.db2.gz FMBAAKZVLOHXFP-MRXNPFEDSA-N 1 2 349.475 0.979 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]([NH+]2CCN(C(=O)CC3CC3)CC2)C1 ZINC000956576412 612915913 /nfs/dbraw/zinc/91/59/13/612915913.db2.gz UEQQIQVQBSWDAA-KRWDZBQOSA-N 1 2 329.444 0.945 20 30 ECEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccnc1C#N ZINC001164699917 719839745 /nfs/dbraw/zinc/83/97/45/719839745.db2.gz IXRBHDIGBQBWJQ-DYVFJYSZSA-N 1 2 345.403 0.581 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)[nH]1 ZINC000972992976 738505802 /nfs/dbraw/zinc/50/58/02/738505802.db2.gz UJTNBCKSFDJSMI-IUODEOHRSA-N 1 2 338.371 0.456 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)Cn2cc[nH+]c2)c1 ZINC000969316109 731709190 /nfs/dbraw/zinc/70/91/90/731709190.db2.gz WGMBUNPPTJVJIX-CALCHBBNSA-N 1 2 349.394 0.775 20 30 ECEDLO Cn1nncc1C[N@@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC000973052426 738587396 /nfs/dbraw/zinc/58/73/96/738587396.db2.gz PTGQSASWIUXQEX-CQSZACIVSA-N 1 2 327.392 0.655 20 30 ECEDLO Cn1nncc1C[N@H+]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC000973052426 738587400 /nfs/dbraw/zinc/58/74/00/738587400.db2.gz PTGQSASWIUXQEX-CQSZACIVSA-N 1 2 327.392 0.655 20 30 ECEDLO N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2c[nH+]c[nH]2)[nH]1 ZINC000970146043 732971425 /nfs/dbraw/zinc/97/14/25/732971425.db2.gz HFHAATFWOVXKJP-OKILXGFUSA-N 1 2 338.371 0.668 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2c[nH+]c[nH]2)c1 ZINC000970147076 732983067 /nfs/dbraw/zinc/98/30/67/732983067.db2.gz WTIOECSESWQQNC-OKILXGFUSA-N 1 2 338.371 0.668 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3nnc(C)o3)C2)nn1 ZINC000970205876 733199464 /nfs/dbraw/zinc/19/94/64/733199464.db2.gz PGEUCIHJZSMTPK-ZYHUDNBSSA-N 1 2 331.380 0.721 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 ZINC000970215901 733209550 /nfs/dbraw/zinc/20/95/50/733209550.db2.gz CUCXALUKALZRLL-TUKIKUTGSA-N 1 2 343.855 0.811 20 30 ECEDLO C[C@@H](NC(=O)c1nnn(C)n1)C1C[NH+](Cc2ccccc2C#N)C1 ZINC000970289184 733312932 /nfs/dbraw/zinc/31/29/32/733312932.db2.gz CXEUCRBDWUGLHW-LLVKDONJSA-N 1 2 325.376 0.332 20 30 ECEDLO C[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970431527 733514057 /nfs/dbraw/zinc/51/40/57/733514057.db2.gz OMVDEWQJSPLZPY-KMUNFCNLSA-N 1 2 344.390 0.755 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H](C)C2C[NH+](Cc3cc(OC)no3)C2)nn1 ZINC000970545269 733662705 /nfs/dbraw/zinc/66/27/05/733662705.db2.gz XRVNMODYHKVJKG-NSHDSACASA-N 1 2 346.391 0.711 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H](C)C2C[NH+](Cc3cnnn3C)C2)nn1 ZINC000970553503 733669501 /nfs/dbraw/zinc/66/95/01/733669501.db2.gz XKJACRMLTMPCMP-LBPRGKRZSA-N 1 2 344.423 0.233 20 30 ECEDLO COc1ccc(C#N)cc1C[NH+]1CC([C@H](C)NC(=O)c2nnc[nH]2)C1 ZINC000970609154 733737178 /nfs/dbraw/zinc/73/71/78/733737178.db2.gz SCUZBVSWDOABPJ-NSHDSACASA-N 1 2 340.387 0.935 20 30 ECEDLO C#CCOCCC(=O)NC[C@H]1CN(c2nc(C)[nH+]c(C)c2C)CCO1 ZINC001104330004 734368082 /nfs/dbraw/zinc/36/80/82/734368082.db2.gz FFJXZTULTFLAEI-INIZCTEOSA-N 1 2 346.431 0.763 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CN(c2cc(C)[nH+]c(CC)n2)CCO1 ZINC001104329772 734371623 /nfs/dbraw/zinc/37/16/23/734371623.db2.gz AHYIDLNUFLWVEQ-CABCVRRESA-N 1 2 346.431 0.707 20 30 ECEDLO CCn1nncc1C[N@H+](C)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000971372114 734483284 /nfs/dbraw/zinc/48/32/84/734483284.db2.gz UVIGAMGPPLKEBT-AWEZNQCLSA-N 1 2 327.392 0.844 20 30 ECEDLO CCn1nncc1C[N@@H+](C)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000971372114 734483287 /nfs/dbraw/zinc/48/32/87/734483287.db2.gz UVIGAMGPPLKEBT-AWEZNQCLSA-N 1 2 327.392 0.844 20 30 ECEDLO N#Cc1cccnc1N1CCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001104349802 734522624 /nfs/dbraw/zinc/52/26/24/734522624.db2.gz LUPRXUNCWWXIRN-AWEZNQCLSA-N 1 2 326.360 0.240 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](C)c3cnn(C)c3)CC2)C1 ZINC000949537103 734701901 /nfs/dbraw/zinc/70/19/01/734701901.db2.gz ZGGODSROCABHAY-OAHLLOKOSA-N 1 2 330.432 0.850 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H](C)c3cnn(C)c3)CC2)C1 ZINC000949537103 734701904 /nfs/dbraw/zinc/70/19/04/734701904.db2.gz ZGGODSROCABHAY-OAHLLOKOSA-N 1 2 330.432 0.850 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC000971842360 735221587 /nfs/dbraw/zinc/22/15/87/735221587.db2.gz XFMIAPIULZQVAP-VXGBXAGGSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC000971842360 735221594 /nfs/dbraw/zinc/22/15/94/735221594.db2.gz XFMIAPIULZQVAP-VXGBXAGGSA-N 1 2 344.253 0.954 20 30 ECEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972078351 735618183 /nfs/dbraw/zinc/61/81/83/735618183.db2.gz GEXDESSIEMXYEH-HOTGVXAUSA-N 1 2 344.390 0.866 20 30 ECEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000972078351 735618185 /nfs/dbraw/zinc/61/81/85/735618185.db2.gz GEXDESSIEMXYEH-HOTGVXAUSA-N 1 2 344.390 0.866 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@]2(C)CCNC2=O)C1 ZINC000972322014 735941785 /nfs/dbraw/zinc/94/17/85/735941785.db2.gz YGMLZIOKTPLRJJ-BXUZGUMPSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@]2(C)CCNC2=O)C1 ZINC000972322014 735941778 /nfs/dbraw/zinc/94/17/78/735941778.db2.gz YGMLZIOKTPLRJJ-BXUZGUMPSA-N 1 2 344.253 0.954 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)C2)C1 ZINC000972438695 736195798 /nfs/dbraw/zinc/19/57/98/736195798.db2.gz SVLPQOJOPBGFOU-QAPCUYQASA-N 1 2 333.432 0.181 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCN(C)C(=O)C3)C2)C1 ZINC000972438695 736195801 /nfs/dbraw/zinc/19/58/01/736195801.db2.gz SVLPQOJOPBGFOU-QAPCUYQASA-N 1 2 333.432 0.181 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)o3)C2)C1 ZINC000972459506 736252122 /nfs/dbraw/zinc/25/21/22/736252122.db2.gz WBWZNVZLZLTKMJ-QGZVFWFLSA-N 1 2 331.372 0.319 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)o3)C2)C1 ZINC000972459506 736252127 /nfs/dbraw/zinc/25/21/27/736252127.db2.gz WBWZNVZLZLTKMJ-QGZVFWFLSA-N 1 2 331.372 0.319 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc4nccn4c3)C2)C1 ZINC000972467408 736273424 /nfs/dbraw/zinc/27/34/24/736273424.db2.gz XIXUPSJHXXOLOE-GOSISDBHSA-N 1 2 339.399 0.670 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc4nccn4c3)C2)C1 ZINC000972467408 736273427 /nfs/dbraw/zinc/27/34/27/736273427.db2.gz XIXUPSJHXXOLOE-GOSISDBHSA-N 1 2 339.399 0.670 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3cc(CC)nn3C)C2)C1 ZINC000972476101 736295090 /nfs/dbraw/zinc/29/50/90/736295090.db2.gz UPFSQCYXLDKXIF-LJQANCHMSA-N 1 2 344.459 0.852 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3cc(CC)nn3C)C2)C1 ZINC000972476101 736295092 /nfs/dbraw/zinc/29/50/92/736295092.db2.gz UPFSQCYXLDKXIF-LJQANCHMSA-N 1 2 344.459 0.852 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)C1 ZINC000972478763 736304367 /nfs/dbraw/zinc/30/43/67/736304367.db2.gz KDWNXTJHYGRLLM-LISAXSMJSA-N 1 2 336.432 0.527 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)C1 ZINC000972478763 736304370 /nfs/dbraw/zinc/30/43/70/736304370.db2.gz KDWNXTJHYGRLLM-LISAXSMJSA-N 1 2 336.432 0.527 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3nccn3C)C2)C1 ZINC000972479919 736306975 /nfs/dbraw/zinc/30/69/75/736306975.db2.gz DZUOIMZXBQBYDE-SFHVURJKSA-N 1 2 330.432 0.679 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3nccn3C)C2)C1 ZINC000972479919 736306981 /nfs/dbraw/zinc/30/69/81/736306981.db2.gz DZUOIMZXBQBYDE-SFHVURJKSA-N 1 2 330.432 0.679 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccccc3C(N)=O)C2)C1 ZINC000972493388 736384360 /nfs/dbraw/zinc/38/43/60/736384360.db2.gz XYDCDPCBJKXDCO-IBGZPJMESA-N 1 2 341.411 0.265 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccccc3C(N)=O)C2)C1 ZINC000972493388 736384362 /nfs/dbraw/zinc/38/43/62/736384362.db2.gz XYDCDPCBJKXDCO-IBGZPJMESA-N 1 2 341.411 0.265 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]([N@H+](C)Cc3snnc3C)C2)nn1 ZINC000972507518 736463517 /nfs/dbraw/zinc/46/35/17/736463517.db2.gz XABYWQZVSVGQLL-LBPRGKRZSA-N 1 2 347.448 0.971 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]([N@@H+](C)Cc3snnc3C)C2)nn1 ZINC000972507518 736463520 /nfs/dbraw/zinc/46/35/20/736463520.db2.gz XABYWQZVSVGQLL-LBPRGKRZSA-N 1 2 347.448 0.971 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4cnn(C)c4C3)C2)C1 ZINC000972517124 736528222 /nfs/dbraw/zinc/52/82/22/736528222.db2.gz BBONQIHEVOLJOL-DNVCBOLYSA-N 1 2 342.443 0.462 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4cnn(C)c4C3)C2)C1 ZINC000972517124 736528224 /nfs/dbraw/zinc/52/82/24/736528224.db2.gz BBONQIHEVOLJOL-DNVCBOLYSA-N 1 2 342.443 0.462 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nnn(C)c4C3)C2)C1 ZINC000972517806 736537120 /nfs/dbraw/zinc/53/71/20/736537120.db2.gz HPVKSDOCZLRHTC-KDOFPFPSSA-N 1 2 345.447 0.409 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nnn(C)c4C3)C2)C1 ZINC000972517806 736537123 /nfs/dbraw/zinc/53/71/23/736537123.db2.gz HPVKSDOCZLRHTC-KDOFPFPSSA-N 1 2 345.447 0.409 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cn3)C2)C1 ZINC000972518706 736539478 /nfs/dbraw/zinc/53/94/78/736539478.db2.gz KOGDMAHDWGHIEF-SFHVURJKSA-N 1 2 329.400 0.569 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cn3)C2)C1 ZINC000972518706 736539482 /nfs/dbraw/zinc/53/94/82/736539482.db2.gz KOGDMAHDWGHIEF-SFHVURJKSA-N 1 2 329.400 0.569 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cn3)C2)C1 ZINC000972518705 736539579 /nfs/dbraw/zinc/53/95/79/736539579.db2.gz KOGDMAHDWGHIEF-GOSISDBHSA-N 1 2 329.400 0.569 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cn3)C2)C1 ZINC000972518705 736539584 /nfs/dbraw/zinc/53/95/84/736539584.db2.gz KOGDMAHDWGHIEF-GOSISDBHSA-N 1 2 329.400 0.569 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cn3)C2)C1 ZINC000972520119 736544800 /nfs/dbraw/zinc/54/48/00/736544800.db2.gz PAZWMWKXZHGHTR-LJQANCHMSA-N 1 2 343.427 0.959 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cn3)C2)C1 ZINC000972520119 736544802 /nfs/dbraw/zinc/54/48/02/736544802.db2.gz PAZWMWKXZHGHTR-LJQANCHMSA-N 1 2 343.427 0.959 20 30 ECEDLO Cn1ncnc1C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023295964 736655520 /nfs/dbraw/zinc/65/55/20/736655520.db2.gz MBHRKDJNGDBJRP-LBPRGKRZSA-N 1 2 327.392 0.657 20 30 ECEDLO Cn1ncnc1C[N@H+]1CCC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023295964 736655525 /nfs/dbraw/zinc/65/55/25/736655525.db2.gz MBHRKDJNGDBJRP-LBPRGKRZSA-N 1 2 327.392 0.657 20 30 ECEDLO Cn1nnnc1C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023295854 736655779 /nfs/dbraw/zinc/65/57/79/736655779.db2.gz JTGTUPMZJCGSEM-NSHDSACASA-N 1 2 328.380 0.052 20 30 ECEDLO Cn1nnnc1C[N@H+]1CCC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023295854 736655780 /nfs/dbraw/zinc/65/57/80/736655780.db2.gz JTGTUPMZJCGSEM-NSHDSACASA-N 1 2 328.380 0.052 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)COc3cccnc3)C2)C1 ZINC000972598115 737041741 /nfs/dbraw/zinc/04/17/41/737041741.db2.gz AEARJZQNNVWFEY-SFHVURJKSA-N 1 2 329.400 0.787 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)COc3cccnc3)C2)C1 ZINC000972598115 737041745 /nfs/dbraw/zinc/04/17/45/737041745.db2.gz AEARJZQNNVWFEY-SFHVURJKSA-N 1 2 329.400 0.787 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3ncc4ccccc43)C2)C1 ZINC000972603171 737068861 /nfs/dbraw/zinc/06/88/61/737068861.db2.gz UEBBEPXGBQYTNL-IBGZPJMESA-N 1 2 338.411 0.973 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3ncc4ccccc43)C2)C1 ZINC000972603171 737068864 /nfs/dbraw/zinc/06/88/64/737068864.db2.gz UEBBEPXGBQYTNL-IBGZPJMESA-N 1 2 338.411 0.973 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](CNC(=O)c3nc[nH]n3)C2)C1=O ZINC001023655594 737155073 /nfs/dbraw/zinc/15/50/73/737155073.db2.gz KXFDSQOOEYHYLI-STQMWFEESA-N 1 2 332.408 0.033 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)c3nc[nH]n3)C2)C1=O ZINC001023655594 737155075 /nfs/dbraw/zinc/15/50/75/737155075.db2.gz KXFDSQOOEYHYLI-STQMWFEESA-N 1 2 332.408 0.033 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCCN(C)C3=O)C2)C1 ZINC000972635212 737184472 /nfs/dbraw/zinc/18/44/72/737184472.db2.gz PSHYXJLMPLESNC-QAPCUYQASA-N 1 2 333.432 0.181 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCCN(C)C3=O)C2)C1 ZINC000972635212 737184477 /nfs/dbraw/zinc/18/44/77/737184477.db2.gz PSHYXJLMPLESNC-QAPCUYQASA-N 1 2 333.432 0.181 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN3C(C)=O)C2)C1 ZINC000972641978 737206534 /nfs/dbraw/zinc/20/65/34/737206534.db2.gz CFFHOOCVZNXTMJ-FUHWJXTLSA-N 1 2 333.432 0.324 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCN3C(C)=O)C2)C1 ZINC000972641978 737206535 /nfs/dbraw/zinc/20/65/35/737206535.db2.gz CFFHOOCVZNXTMJ-FUHWJXTLSA-N 1 2 333.432 0.324 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3c(C)csc3=O)C2)C1 ZINC000972669261 737315240 /nfs/dbraw/zinc/31/52/40/737315240.db2.gz JICXARNXZHTENU-INIZCTEOSA-N 1 2 337.445 0.708 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3c(C)csc3=O)C2)C1 ZINC000972669261 737315242 /nfs/dbraw/zinc/31/52/42/737315242.db2.gz JICXARNXZHTENU-INIZCTEOSA-N 1 2 337.445 0.708 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3c(C)n[nH]c3C)C2)C1 ZINC000972669425 737316320 /nfs/dbraw/zinc/31/63/20/737316320.db2.gz MRRJWIBLURZCIH-GOSISDBHSA-N 1 2 330.432 0.896 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3c(C)n[nH]c3C)C2)C1 ZINC000972669425 737316323 /nfs/dbraw/zinc/31/63/23/737316323.db2.gz MRRJWIBLURZCIH-GOSISDBHSA-N 1 2 330.432 0.896 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 ZINC000972683843 737373628 /nfs/dbraw/zinc/37/36/28/737373628.db2.gz PLBNROGRKFZFJA-ZBFHGGJFSA-N 1 2 342.461 0.443 20 30 ECEDLO C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 ZINC000972683843 737373631 /nfs/dbraw/zinc/37/36/31/737373631.db2.gz PLBNROGRKFZFJA-ZBFHGGJFSA-N 1 2 342.461 0.443 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001024348685 737915776 /nfs/dbraw/zinc/91/57/76/737915776.db2.gz HTIMOTRCMFYBNR-NWANDNLSSA-N 1 2 346.431 0.346 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001024384536 737930991 /nfs/dbraw/zinc/93/09/91/737930991.db2.gz YIOACQUQGSZBEH-ZIAGYGMSSA-N 1 2 348.447 0.827 20 30 ECEDLO Cn1nnc(C(=O)NC[C@H]2CCCC[N@@H+]2CC#Cc2ccccc2)n1 ZINC001024608205 738163749 /nfs/dbraw/zinc/16/37/49/738163749.db2.gz NRZPREFJWKKKKC-MRXNPFEDSA-N 1 2 338.415 0.846 20 30 ECEDLO Cn1nnc(C(=O)NC[C@H]2CCCC[N@H+]2CC#Cc2ccccc2)n1 ZINC001024608205 738163752 /nfs/dbraw/zinc/16/37/52/738163752.db2.gz NRZPREFJWKKKKC-MRXNPFEDSA-N 1 2 338.415 0.846 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cnnn2C)c1 ZINC001024644309 738197062 /nfs/dbraw/zinc/19/70/62/738197062.db2.gz OOPDCJZEXZCKME-INIZCTEOSA-N 1 2 338.415 0.976 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cnnn2C)c1 ZINC001024644309 738197063 /nfs/dbraw/zinc/19/70/63/738197063.db2.gz OOPDCJZEXZCKME-INIZCTEOSA-N 1 2 338.415 0.976 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cnnn2C)nc1 ZINC001024763430 738275321 /nfs/dbraw/zinc/27/53/21/738275321.db2.gz FZTQKBPCGFZORN-HNNXBMFYSA-N 1 2 338.415 0.976 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cnnn2C)nc1 ZINC001024763430 738275324 /nfs/dbraw/zinc/27/53/24/738275324.db2.gz FZTQKBPCGFZORN-HNNXBMFYSA-N 1 2 338.415 0.976 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc4n[nH]nc4c3)[C@H]2C1 ZINC001083272105 738281155 /nfs/dbraw/zinc/28/11/55/738281155.db2.gz UIMJCSROJQCOLD-JKSUJKDBSA-N 1 2 325.372 0.506 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc4n[nH]nc4c3)[C@H]2C1 ZINC001083272105 738281158 /nfs/dbraw/zinc/28/11/58/738281158.db2.gz UIMJCSROJQCOLD-JKSUJKDBSA-N 1 2 325.372 0.506 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1COCCN1C(C)=O ZINC001024806172 738311389 /nfs/dbraw/zinc/31/13/89/738311389.db2.gz GSWKMLSASJQRLQ-LSDHHAIUSA-N 1 2 343.855 0.957 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1COCCN1C(C)=O ZINC001024806172 738311394 /nfs/dbraw/zinc/31/13/94/738311394.db2.gz GSWKMLSASJQRLQ-LSDHHAIUSA-N 1 2 343.855 0.957 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCc3nc(C(C)(C)C)no3)[C@H]2C1 ZINC001083272916 738340118 /nfs/dbraw/zinc/34/01/18/738340118.db2.gz OBORDVGPFQUWGK-UONOGXRCSA-N 1 2 346.431 0.845 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3nc(C(C)(C)C)no3)[C@H]2C1 ZINC001083272916 738340123 /nfs/dbraw/zinc/34/01/23/738340123.db2.gz OBORDVGPFQUWGK-UONOGXRCSA-N 1 2 346.431 0.845 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000973422230 739245458 /nfs/dbraw/zinc/24/54/58/739245458.db2.gz UHCLAZKDHNNVCU-QAQDUYKDSA-N 1 2 336.395 0.871 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)[C@H](C)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001104682779 739478695 /nfs/dbraw/zinc/47/86/95/739478695.db2.gz CDWHXTLSYFAWNL-ZIAGYGMSSA-N 1 2 345.447 0.762 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)[C@H](C)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001104682779 739478698 /nfs/dbraw/zinc/47/86/98/739478698.db2.gz CDWHXTLSYFAWNL-ZIAGYGMSSA-N 1 2 345.447 0.762 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)[C@H](C)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001104683663 739479720 /nfs/dbraw/zinc/47/97/20/739479720.db2.gz LYJNMYGKVSQHHK-NEPJUHHUSA-N 1 2 334.424 0.543 20 30 ECEDLO C[C@@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001104730500 739545879 /nfs/dbraw/zinc/54/58/79/739545879.db2.gz YGPODMISZGKUSG-STQMWFEESA-N 1 2 339.403 0.488 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001025568219 739725275 /nfs/dbraw/zinc/72/52/75/739725275.db2.gz RYVBXOPHLDDTMO-IACUBPJLSA-N 1 2 346.431 0.730 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc[nH]2)C1 ZINC000957863887 751481425 /nfs/dbraw/zinc/48/14/25/751481425.db2.gz NWRDSCHJBDKRSS-PWSUYJOCSA-N 1 2 328.210 0.946 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc[nH]2)C1 ZINC000957863887 751481429 /nfs/dbraw/zinc/48/14/29/751481429.db2.gz NWRDSCHJBDKRSS-PWSUYJOCSA-N 1 2 328.210 0.946 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnc(C)cn3)C2)nn1 ZINC001098604024 739848648 /nfs/dbraw/zinc/84/86/48/739848648.db2.gz DXVLRKRZBOLTEG-HNNXBMFYSA-N 1 2 339.403 0.577 20 30 ECEDLO CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114945170 740016369 /nfs/dbraw/zinc/01/63/69/740016369.db2.gz LRNPGUIXXCSSNU-HWWDLCQESA-N 1 2 344.390 0.722 20 30 ECEDLO CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)C[C@H]21 ZINC001114945170 740016374 /nfs/dbraw/zinc/01/63/74/740016374.db2.gz LRNPGUIXXCSSNU-HWWDLCQESA-N 1 2 344.390 0.722 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2ccc(F)c(F)c2)[C@@H](n2ccnn2)C1 ZINC001070010281 790315087 /nfs/dbraw/zinc/31/50/87/790315087.db2.gz LNMREHJDUSTGCF-CVEARBPZSA-N 1 2 345.353 0.774 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2ccc(F)c(F)c2)[C@@H](n2ccnn2)C1 ZINC001070010281 790315092 /nfs/dbraw/zinc/31/50/92/790315092.db2.gz LNMREHJDUSTGCF-CVEARBPZSA-N 1 2 345.353 0.774 20 30 ECEDLO CN(C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)c1ccc(C#N)nn1 ZINC001058691614 740517724 /nfs/dbraw/zinc/51/77/24/740517724.db2.gz ADHVVNGMOMQPOY-CQSZACIVSA-N 1 2 339.403 0.920 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3ccn(CC)n3)CC2)C1=O ZINC000982084281 751552908 /nfs/dbraw/zinc/55/29/08/751552908.db2.gz NDLHWYXFPWSRBD-MRXNPFEDSA-N 1 2 345.447 0.838 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3ccn(CC)n3)CC2)C1=O ZINC000982084281 751552914 /nfs/dbraw/zinc/55/29/14/751552914.db2.gz NDLHWYXFPWSRBD-MRXNPFEDSA-N 1 2 345.447 0.838 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N(C)[C@@H](C)CNc1ccnc(C#N)n1 ZINC001104865350 740752765 /nfs/dbraw/zinc/75/27/65/740752765.db2.gz CBDLNTYBBQGMPN-LBPRGKRZSA-N 1 2 340.387 0.675 20 30 ECEDLO N#CCN[C@@H]1CC[C@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@H]21 ZINC001026367120 741071069 /nfs/dbraw/zinc/07/10/69/741071069.db2.gz CTOUBWAGSIJKCB-GVDBMIGSSA-N 1 2 346.475 0.982 20 30 ECEDLO C=CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2nncn2C)C1 ZINC001112069668 741088758 /nfs/dbraw/zinc/08/87/58/741088758.db2.gz IHJNNTGAJHNTFD-GHMZBOCLSA-N 1 2 347.341 0.497 20 30 ECEDLO C#CCNC(=O)CC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)[C@@H](C)C1 ZINC001105039573 741222884 /nfs/dbraw/zinc/22/28/84/741222884.db2.gz DFRZRSOIQLFHIG-GXTWGEPZSA-N 1 2 329.404 0.573 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N(CCO)CCNc1ccc(C#N)nc1 ZINC001111596748 741238523 /nfs/dbraw/zinc/23/85/23/741238523.db2.gz JSRNBKJKSSRILR-UHFFFAOYSA-N 1 2 342.403 0.552 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105249609 741558630 /nfs/dbraw/zinc/55/86/30/741558630.db2.gz YFLFVKIAMBASCU-UHFFFAOYSA-N 1 2 340.815 0.015 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccnn3[C@H](C)CC)C2)nn1 ZINC001105252244 741561277 /nfs/dbraw/zinc/56/12/77/741561277.db2.gz GAYXMMWAXXUFMI-CYBMUJFWSA-N 1 2 341.419 0.866 20 30 ECEDLO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001026618239 741618776 /nfs/dbraw/zinc/61/87/76/741618776.db2.gz TWAGPVQPHKDBPM-FVQBIDKESA-N 1 2 340.427 0.822 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCO[C@H]3CC)C2)nn1 ZINC001105288018 741648262 /nfs/dbraw/zinc/64/82/62/741648262.db2.gz AHCJYHAPNYIUGE-CVEARBPZSA-N 1 2 331.420 0.589 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3occ4c3CCOC4)C2)nn1 ZINC001105289392 741652623 /nfs/dbraw/zinc/65/26/23/741652623.db2.gz AXHDWVJIUGUEIV-UHFFFAOYSA-N 1 2 341.371 0.364 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(C(C)C)cn3)C2)nn1 ZINC001105292323 741656283 /nfs/dbraw/zinc/65/62/83/741656283.db2.gz JZNNSMVNTXCWMY-UHFFFAOYSA-N 1 2 341.419 0.866 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC(n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001105299166 741681533 /nfs/dbraw/zinc/68/15/33/741681533.db2.gz ILTHMGAQGFMAGV-UHFFFAOYSA-N 1 2 334.424 0.099 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CC(n2cc(C[NH2+][C@H](CC)C(N)=O)nn2)C1 ZINC001105309779 741718471 /nfs/dbraw/zinc/71/84/71/741718471.db2.gz BZNBYHSCQBNHMJ-IUODEOHRSA-N 1 2 348.451 0.617 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3C[C@H]3C)C2)nn1 ZINC001105320606 741774662 /nfs/dbraw/zinc/77/46/62/741774662.db2.gz CMXYOUIFDWAZNP-ZIAGYGMSSA-N 1 2 331.420 0.447 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC(n3cc(C[NH2+][C@H](C)C(=O)NC)nn3)C2)C1 ZINC001105324127 741790879 /nfs/dbraw/zinc/79/08/79/741790879.db2.gz SYWAXJTWCBQQAX-GFCCVEGCSA-N 1 2 346.435 0.242 20 30 ECEDLO C=CCC1(C(=O)N(CCO)CCNC(=O)CCn2cc[nH+]c2)CCC1 ZINC001058732843 741826338 /nfs/dbraw/zinc/82/63/38/741826338.db2.gz NRWJQZSVVNYGAD-UHFFFAOYSA-N 1 2 348.447 0.957 20 30 ECEDLO CC[C@@H]1C[C@H]1C(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105330097 741833718 /nfs/dbraw/zinc/83/37/18/741833718.db2.gz OIALUKKVYUHVGY-CZUORRHYSA-N 1 2 331.420 0.447 20 30 ECEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)Cn3cnnn3)C2)ccc1F ZINC001006687229 751675454 /nfs/dbraw/zinc/67/54/54/751675454.db2.gz XNFLPIKQIMLOSU-AWEZNQCLSA-N 1 2 343.366 0.465 20 30 ECEDLO N#Cc1cc(C[N@H+]2CCC[C@H](NC(=O)Cn3cnnn3)C2)ccc1F ZINC001006687229 751675456 /nfs/dbraw/zinc/67/54/56/751675456.db2.gz XNFLPIKQIMLOSU-AWEZNQCLSA-N 1 2 343.366 0.465 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC000974624123 741949115 /nfs/dbraw/zinc/94/91/15/741949115.db2.gz OODALFZYLNPQAG-HZPDHXFCSA-N 1 2 326.400 0.746 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC34CC4)C2)nn1 ZINC001105333595 741984188 /nfs/dbraw/zinc/98/41/88/741984188.db2.gz MAQSIQREJWMWQM-OAHLLOKOSA-N 1 2 329.404 0.201 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@H]21 ZINC000974977892 742405711 /nfs/dbraw/zinc/40/57/11/742405711.db2.gz ODVOKFFMKPBROR-MGPQQGTHSA-N 1 2 329.404 0.572 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000975262736 742646858 /nfs/dbraw/zinc/64/68/58/742646858.db2.gz XCJCPVASFLUOGN-TUVASFSCSA-N 1 2 344.415 0.603 20 30 ECEDLO C=CCC[N@@H+]1CCCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC000982251535 751765242 /nfs/dbraw/zinc/76/52/42/751765242.db2.gz MRZGCELPZNYBOL-UHFFFAOYSA-N 1 2 330.392 0.182 20 30 ECEDLO C=CCC[N@H+]1CCCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC000982251535 751765243 /nfs/dbraw/zinc/76/52/43/751765243.db2.gz MRZGCELPZNYBOL-UHFFFAOYSA-N 1 2 330.392 0.182 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)CCc3c[nH+]cn3C)C2)nc1 ZINC000997088755 743217222 /nfs/dbraw/zinc/21/72/22/743217222.db2.gz VLXRCFGBLKZOPJ-UHFFFAOYSA-N 1 2 337.383 0.370 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000988305942 751819537 /nfs/dbraw/zinc/81/95/37/751819537.db2.gz TXAWLBWILNUVKB-WCVJEAGWSA-N 1 2 346.431 0.970 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCC[C@H]3OC)C2)nn1 ZINC001105381315 743458539 /nfs/dbraw/zinc/45/85/39/743458539.db2.gz XHQWQCFDWZEWBT-DLBZAZTESA-N 1 2 345.447 0.980 20 30 ECEDLO Cn1cc(C[N@@H+]2C[C@@]3(C)CN(C(=O)C#CC4CC4)C[C@@]3(C)C2)nn1 ZINC000982278582 751849174 /nfs/dbraw/zinc/84/91/74/751849174.db2.gz JUQHPHMGTSTNKA-HDICACEKSA-N 1 2 327.432 0.899 20 30 ECEDLO Cn1cc(C[N@H+]2C[C@@]3(C)CN(C(=O)C#CC4CC4)C[C@@]3(C)C2)nn1 ZINC000982278582 751849180 /nfs/dbraw/zinc/84/91/80/751849180.db2.gz JUQHPHMGTSTNKA-HDICACEKSA-N 1 2 327.432 0.899 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@@H]3CCOC3)C2)nn1 ZINC001098641663 751852107 /nfs/dbraw/zinc/85/21/07/751852107.db2.gz WHSNQPAKDUNRJM-GOEBONIOSA-N 1 2 331.420 0.591 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc4cccnn43)C2)nn1 ZINC001105338845 744103863 /nfs/dbraw/zinc/10/38/63/744103863.db2.gz CFKTYWAFPJAGAS-UHFFFAOYSA-N 1 2 349.398 0.736 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000976766535 744308762 /nfs/dbraw/zinc/30/87/62/744308762.db2.gz STPVAQRIDXXKTJ-KDEOKCCVSA-N 1 2 344.415 0.437 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)c1 ZINC000977155522 744723647 /nfs/dbraw/zinc/72/36/47/744723647.db2.gz BGURQIOKKQCFJN-QLPKVWCKSA-N 1 2 335.367 0.215 20 30 ECEDLO C#CCC[N@@H+]1C[C@H](NC(=O)[C@]2(C)CCCS2(=O)=O)C(C)(C)C1 ZINC000977309776 744852916 /nfs/dbraw/zinc/85/29/16/744852916.db2.gz MFVMSRSBRQDOFP-BBRMVZONSA-N 1 2 326.462 0.804 20 30 ECEDLO C#CCC[N@H+]1C[C@H](NC(=O)[C@]2(C)CCCS2(=O)=O)C(C)(C)C1 ZINC000977309776 744852920 /nfs/dbraw/zinc/85/29/20/744852920.db2.gz MFVMSRSBRQDOFP-BBRMVZONSA-N 1 2 326.462 0.804 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001027524887 745004740 /nfs/dbraw/zinc/00/47/40/745004740.db2.gz RRWKXIWVRKZTEU-VXGBXAGGSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001027524887 745004746 /nfs/dbraw/zinc/00/47/46/745004746.db2.gz RRWKXIWVRKZTEU-VXGBXAGGSA-N 1 2 344.253 0.954 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001059186323 745049348 /nfs/dbraw/zinc/04/93/48/745049348.db2.gz GXNPZJSEFWYQEW-XYPYZODXSA-N 1 2 336.359 0.936 20 30 ECEDLO CN(CCCN(C)c1ccc(C#N)nn1)C(=O)CCn1cc[nH+]c1 ZINC001112149175 745128559 /nfs/dbraw/zinc/12/85/59/745128559.db2.gz QYPJAWAPYSRYPT-UHFFFAOYSA-N 1 2 327.392 0.920 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)CC1(C)C ZINC000977512425 745131681 /nfs/dbraw/zinc/13/16/81/745131681.db2.gz JUEPRMCCAXGPEO-GXTWGEPZSA-N 1 2 344.415 0.408 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)CC1(C)C ZINC000977512425 745131688 /nfs/dbraw/zinc/13/16/88/745131688.db2.gz JUEPRMCCAXGPEO-GXTWGEPZSA-N 1 2 344.415 0.408 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098697587 745233016 /nfs/dbraw/zinc/23/30/16/745233016.db2.gz IWCDRSDABMQVGD-ZDUSSCGKSA-N 1 2 334.424 0.229 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000977794856 745510858 /nfs/dbraw/zinc/51/08/58/745510858.db2.gz JSBZMDWYSYAYRV-XHSDSOJGSA-N 1 2 346.431 0.993 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000977796342 745517332 /nfs/dbraw/zinc/51/73/32/745517332.db2.gz QGYDFNDHLCZFAZ-KFWWJZLASA-N 1 2 346.431 0.993 20 30 ECEDLO O=C([C@@H]1COC(=O)N1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029292907 745576748 /nfs/dbraw/zinc/57/67/48/745576748.db2.gz BJPIYVWJDCANDI-BBWFWOEESA-N 1 2 339.395 0.822 20 30 ECEDLO O=C([C@@H]1COC(=O)N1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029292907 745576753 /nfs/dbraw/zinc/57/67/53/745576753.db2.gz BJPIYVWJDCANDI-BBWFWOEESA-N 1 2 339.395 0.822 20 30 ECEDLO C=CCOc1cccnc1C(=O)N1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001000570899 745606249 /nfs/dbraw/zinc/60/62/49/745606249.db2.gz YWNQCQNAGQRSPY-UHFFFAOYSA-N 1 2 341.371 0.553 20 30 ECEDLO CCn1ncnc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC000977965451 745726935 /nfs/dbraw/zinc/72/69/35/745726935.db2.gz PHZBDNPFWXXVNR-ZSOGYDGISA-N 1 2 339.403 0.606 20 30 ECEDLO CCn1ncnc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC000977965451 745726940 /nfs/dbraw/zinc/72/69/40/745726940.db2.gz PHZBDNPFWXXVNR-ZSOGYDGISA-N 1 2 339.403 0.606 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC000978027079 745827292 /nfs/dbraw/zinc/82/72/92/745827292.db2.gz GMDSJNKLWGZYMZ-NZPIUUIZSA-N 1 2 340.391 0.079 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC000978027079 745827298 /nfs/dbraw/zinc/82/72/98/745827298.db2.gz GMDSJNKLWGZYMZ-NZPIUUIZSA-N 1 2 340.391 0.079 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3ncccc3F)C2)nn1 ZINC001098705920 746355145 /nfs/dbraw/zinc/35/51/45/746355145.db2.gz MZXUPRCTQKJMAK-AWEZNQCLSA-N 1 2 342.378 0.551 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C=C2CCCCC2)[C@H](OC)C1 ZINC001211949618 752085495 /nfs/dbraw/zinc/08/54/95/752085495.db2.gz NRZITWFPKVGETL-HZPDHXFCSA-N 1 2 333.432 0.442 20 30 ECEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C=C2CCCCC2)[C@H](OC)C1 ZINC001211949618 752085502 /nfs/dbraw/zinc/08/55/02/752085502.db2.gz NRZITWFPKVGETL-HZPDHXFCSA-N 1 2 333.432 0.442 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001001506802 746444853 /nfs/dbraw/zinc/44/48/53/746444853.db2.gz BPZXVYAWYGHWTR-UHFFFAOYSA-N 1 2 340.387 0.441 20 30 ECEDLO Cc1cc(C[N@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)sn1 ZINC001083418267 746517960 /nfs/dbraw/zinc/51/79/60/746517960.db2.gz APCJODKVZVUGJI-KGLIPLIRSA-N 1 2 331.401 0.626 20 30 ECEDLO Cc1cc(C[N@@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)sn1 ZINC001083418267 746517961 /nfs/dbraw/zinc/51/79/61/746517961.db2.gz APCJODKVZVUGJI-KGLIPLIRSA-N 1 2 331.401 0.626 20 30 ECEDLO COCCc1noc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]3C2)n1 ZINC001087911545 746646122 /nfs/dbraw/zinc/64/61/22/746646122.db2.gz ZBJGPHDPDMUWQQ-MCIONIFRSA-N 1 2 347.419 0.698 20 30 ECEDLO COCCc1noc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@@H]3C2)n1 ZINC001087911545 746646124 /nfs/dbraw/zinc/64/61/24/746646124.db2.gz ZBJGPHDPDMUWQQ-MCIONIFRSA-N 1 2 347.419 0.698 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)OCC(C)C)[C@H](OC)C1 ZINC001211961828 752116566 /nfs/dbraw/zinc/11/65/66/752116566.db2.gz FRPMONGXKIHKOS-BZUAXINKSA-N 1 2 326.437 0.513 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)OCC(C)C)[C@H](OC)C1 ZINC001211961828 752116575 /nfs/dbraw/zinc/11/65/75/752116575.db2.gz FRPMONGXKIHKOS-BZUAXINKSA-N 1 2 326.437 0.513 20 30 ECEDLO C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)Cc3cnc[nH]3)C2)nn1 ZINC001105340621 746753954 /nfs/dbraw/zinc/75/39/54/746753954.db2.gz IAESVNHUNHALAD-ZDUSSCGKSA-N 1 2 341.419 0.376 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000978868045 746818230 /nfs/dbraw/zinc/81/82/30/746818230.db2.gz YASKHMSAONXFDX-BARDWOONSA-N 1 2 346.431 0.944 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CC[C@@H](CCNC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC001059428491 746896784 /nfs/dbraw/zinc/89/67/84/746896784.db2.gz XHKBWDTXZOZPFT-GFCCVEGCSA-N 1 2 340.387 0.821 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007163462 752145943 /nfs/dbraw/zinc/14/59/43/752145943.db2.gz XNAQNYGKADKYOE-HNNXBMFYSA-N 1 2 340.387 0.636 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007163462 752145949 /nfs/dbraw/zinc/14/59/49/752145949.db2.gz XNAQNYGKADKYOE-HNNXBMFYSA-N 1 2 340.387 0.636 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC000979077108 747129186 /nfs/dbraw/zinc/12/91/86/747129186.db2.gz NFPPIYHYILWPIE-JNSHFYNHSA-N 1 2 337.383 0.653 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3coc(C)n3)C2)C1=O ZINC001007186579 752171128 /nfs/dbraw/zinc/17/11/28/752171128.db2.gz FQSRLWRGKCAOHO-UKRRQHHQSA-N 1 2 332.404 0.964 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3coc(C)n3)C2)C1=O ZINC001007186579 752171131 /nfs/dbraw/zinc/17/11/31/752171131.db2.gz FQSRLWRGKCAOHO-UKRRQHHQSA-N 1 2 332.404 0.964 20 30 ECEDLO C[C@H]([NH2+]Cc1csnn1)[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CCO1 ZINC000979280342 747505748 /nfs/dbraw/zinc/50/57/48/747505748.db2.gz VGJRZLPBJVFVNP-IINYFYTJSA-N 1 2 346.416 0.757 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cncc(C#C)c3)C2)nn1 ZINC001098721150 747564739 /nfs/dbraw/zinc/56/47/39/747564739.db2.gz CDPCIXROWWUYSD-QGZVFWFLSA-N 1 2 334.383 0.464 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3occc3C)C2)nn1 ZINC001098722677 747679717 /nfs/dbraw/zinc/67/97/17/747679717.db2.gz PQGMDVFDTQOFOG-OAHLLOKOSA-N 1 2 327.388 0.918 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3n[nH]cc3F)C2)nn1 ZINC001098722708 747685608 /nfs/dbraw/zinc/68/56/08/747685608.db2.gz PWUFMTXHIQHKDL-GFCCVEGCSA-N 1 2 331.355 0.340 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001075848136 747813461 /nfs/dbraw/zinc/81/34/61/747813461.db2.gz SNZOTAIDOYDVIY-KBPBESRZSA-N 1 2 336.436 0.955 20 30 ECEDLO N#CCN1CC[C@H](OCC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001088237755 747849108 /nfs/dbraw/zinc/84/91/08/747849108.db2.gz BVCNRBYMFIUBSR-INIZCTEOSA-N 1 2 331.420 0.805 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cncc(Cl)c3)C2)nn1 ZINC001105343954 748238610 /nfs/dbraw/zinc/23/86/10/748238610.db2.gz DVGSHLZBSRMBCM-UHFFFAOYSA-N 1 2 330.779 0.746 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[C@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001059554216 748303042 /nfs/dbraw/zinc/30/30/42/748303042.db2.gz DAEQTFPTHDSBPD-KSSFIOAISA-N 1 2 348.447 0.943 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@H]1C ZINC001088594687 752260002 /nfs/dbraw/zinc/26/00/02/752260002.db2.gz WPYKSZNHSFZODW-MNOVXSKESA-N 1 2 328.214 0.766 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cn2nccn2)[C@H]1C ZINC001088594687 752260007 /nfs/dbraw/zinc/26/00/07/752260007.db2.gz WPYKSZNHSFZODW-MNOVXSKESA-N 1 2 328.214 0.766 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3nnnn3C)C2)cc1 ZINC001029798396 748458536 /nfs/dbraw/zinc/45/85/36/748458536.db2.gz KCTYZFLUZWIXGW-HNNXBMFYSA-N 1 2 338.415 0.786 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3nnnn3C)C2)cc1 ZINC001029798396 748458538 /nfs/dbraw/zinc/45/85/38/748458538.db2.gz KCTYZFLUZWIXGW-HNNXBMFYSA-N 1 2 338.415 0.786 20 30 ECEDLO Cn1nnc(C[NH2+][C@@H]2CCCCCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001088299253 748559987 /nfs/dbraw/zinc/55/99/87/748559987.db2.gz IFKDNLFPNAOBGG-CYBMUJFWSA-N 1 2 342.407 0.584 20 30 ECEDLO C=CCn1cc(C(=O)NC2CC[NH+](Cc3cc(OC)no3)CC2)nn1 ZINC001003759766 748867538 /nfs/dbraw/zinc/86/75/38/748867538.db2.gz NKRHPAKJNLYWOI-UHFFFAOYSA-N 1 2 346.391 0.855 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3nncn3C)C2)nn1 ZINC001029859693 748951921 /nfs/dbraw/zinc/95/19/21/748951921.db2.gz HIEMCDUWPPGOPD-ZDUSSCGKSA-N 1 2 344.423 0.187 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3nncn3C)C2)nn1 ZINC001029859693 748951925 /nfs/dbraw/zinc/95/19/25/748951925.db2.gz HIEMCDUWPPGOPD-ZDUSSCGKSA-N 1 2 344.423 0.187 20 30 ECEDLO N#Cc1c(F)cccc1NC[C@H](O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001105804374 761918326 /nfs/dbraw/zinc/91/83/26/761918326.db2.gz PPDDMEYFOJNBAT-NSHDSACASA-N 1 2 331.351 0.942 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001013922829 761915109 /nfs/dbraw/zinc/91/51/09/761915109.db2.gz AFSCRAPWANRDFA-JQWIXIFHSA-N 1 2 326.360 0.571 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3n[nH]cc3C)CC2)CC1 ZINC000985829270 749194263 /nfs/dbraw/zinc/19/42/63/749194263.db2.gz NGCWEWDVQXQQBE-UHFFFAOYSA-N 1 2 346.435 0.400 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3nc(C)c[nH]3)CC2)CC1 ZINC000985830985 749196720 /nfs/dbraw/zinc/19/67/20/749196720.db2.gz FCEYFQXBIAVICG-UHFFFAOYSA-N 1 2 346.435 0.400 20 30 ECEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H]2CNC(=O)C2CS(=O)(=O)C2)c1 ZINC001027904976 749270981 /nfs/dbraw/zinc/27/09/81/749270981.db2.gz OEMIHRMFDLBOOF-MRXNPFEDSA-N 1 2 347.440 0.683 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2CNC(=O)C2CS(=O)(=O)C2)c1 ZINC001027904976 749270984 /nfs/dbraw/zinc/27/09/84/749270984.db2.gz OEMIHRMFDLBOOF-MRXNPFEDSA-N 1 2 347.440 0.683 20 30 ECEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC001004474218 749543348 /nfs/dbraw/zinc/54/33/48/749543348.db2.gz AFRQYAAINUZSJG-CQSZACIVSA-N 1 2 345.403 0.175 20 30 ECEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC001004474218 749543353 /nfs/dbraw/zinc/54/33/53/749543353.db2.gz AFRQYAAINUZSJG-CQSZACIVSA-N 1 2 345.403 0.175 20 30 ECEDLO CCc1nc(C#N)cc(N[C@H]2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001059697335 749592936 /nfs/dbraw/zinc/59/29/36/749592936.db2.gz CGZBLLCOGJWXOY-PHIMTYICSA-N 1 2 325.376 0.936 20 30 ECEDLO COCc1noc(C[NH2+][C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C)n1 ZINC000986174515 749630714 /nfs/dbraw/zinc/63/07/14/749630714.db2.gz JPKLWEBRMVSRRA-ZWNOBZJWSA-N 1 2 344.375 0.809 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3cc[n+]([O-])cc3)CC2)C1=O ZINC000980663865 749929342 /nfs/dbraw/zinc/92/93/42/749929342.db2.gz SAVPEZSWCNREDJ-INIZCTEOSA-N 1 2 344.415 0.255 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3cc[n+]([O-])cc3)CC2)C1=O ZINC000980663865 749929347 /nfs/dbraw/zinc/92/93/47/749929347.db2.gz SAVPEZSWCNREDJ-INIZCTEOSA-N 1 2 344.415 0.255 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3cc(C)on3)CC2)C1=O ZINC000980675772 749959828 /nfs/dbraw/zinc/95/98/28/749959828.db2.gz WYNSOIFFPAJPCU-OAHLLOKOSA-N 1 2 332.404 0.918 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3cc(C)on3)CC2)C1=O ZINC000980675772 749959833 /nfs/dbraw/zinc/95/98/33/749959833.db2.gz WYNSOIFFPAJPCU-OAHLLOKOSA-N 1 2 332.404 0.918 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cn3cnnn3)CC2)c(F)c1 ZINC000980677063 749961538 /nfs/dbraw/zinc/96/15/38/749961538.db2.gz FRRVXRQYUJWIGF-UHFFFAOYSA-N 1 2 343.366 0.418 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cn3cnnn3)CC2)c(F)c1 ZINC000980677063 749961541 /nfs/dbraw/zinc/96/15/41/749961541.db2.gz FRRVXRQYUJWIGF-UHFFFAOYSA-N 1 2 343.366 0.418 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)Cn2cnnn2)CC1 ZINC000980677541 749962808 /nfs/dbraw/zinc/96/28/08/749962808.db2.gz OZKKLORWNYETRI-UHFFFAOYSA-N 1 2 325.376 0.279 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)Cn2cnnn2)CC1 ZINC000980677541 749962810 /nfs/dbraw/zinc/96/28/10/749962810.db2.gz OZKKLORWNYETRI-UHFFFAOYSA-N 1 2 325.376 0.279 20 30 ECEDLO CCc1nc(C#N)cc(N(C)CCN(C)C(=O)Cc2c[nH+]cn2C)n1 ZINC001105432690 750060142 /nfs/dbraw/zinc/06/01/42/750060142.db2.gz VBYRRMXVTCFLTM-UHFFFAOYSA-N 1 2 341.419 0.781 20 30 ECEDLO C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001004989945 750108584 /nfs/dbraw/zinc/10/85/84/750108584.db2.gz KDCUSZBVYPVZHW-DOMZBBRYSA-N 1 2 340.387 0.750 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001027976665 750132771 /nfs/dbraw/zinc/13/27/71/750132771.db2.gz FIWUPBRBGBZHGW-LLVKDONJSA-N 1 2 347.824 0.874 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)c1coc(S(N)(=O)=O)c1 ZINC001027976665 750132777 /nfs/dbraw/zinc/13/27/77/750132777.db2.gz FIWUPBRBGBZHGW-LLVKDONJSA-N 1 2 347.824 0.874 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC000986594138 750164862 /nfs/dbraw/zinc/16/48/62/750164862.db2.gz HTOOPDBNXXTMBE-MCIONIFRSA-N 1 2 329.404 0.429 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[N@H+](CC[C@H]2CCS(=O)(=O)C2)CC1 ZINC000980850103 750260148 /nfs/dbraw/zinc/26/01/48/750260148.db2.gz QHFHHENNCRPIDX-KBPBESRZSA-N 1 2 327.450 0.505 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[N@@H+](CC[C@H]2CCS(=O)(=O)C2)CC1 ZINC000980850103 750260150 /nfs/dbraw/zinc/26/01/50/750260150.db2.gz QHFHHENNCRPIDX-KBPBESRZSA-N 1 2 327.450 0.505 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)CCc3nnc[nH]3)CC2)C1=O ZINC000980925936 750347781 /nfs/dbraw/zinc/34/77/81/750347781.db2.gz CEXFUSOXMZBHAY-CQSZACIVSA-N 1 2 346.435 0.059 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)CCc3nnc[nH]3)CC2)C1=O ZINC000980925936 750347789 /nfs/dbraw/zinc/34/77/89/750347789.db2.gz CEXFUSOXMZBHAY-CQSZACIVSA-N 1 2 346.435 0.059 20 30 ECEDLO CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001058869435 750470339 /nfs/dbraw/zinc/47/03/39/750470339.db2.gz INMFMYRMMDWDTK-HUUCEWRRSA-N 1 2 346.431 0.120 20 30 ECEDLO C=CCCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001058869656 750471698 /nfs/dbraw/zinc/47/16/98/750471698.db2.gz QLCRROIENQVVRA-ZIAGYGMSSA-N 1 2 334.420 0.427 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]Cc3nnc(C)o3)[C@@H]2C)nn1 ZINC000987166597 750559899 /nfs/dbraw/zinc/55/98/99/750559899.db2.gz HUBLDTFXNODYDQ-AAEUAGOBSA-N 1 2 345.407 0.938 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)[C@H]1C ZINC001088549754 750630330 /nfs/dbraw/zinc/63/03/30/750630330.db2.gz CKASXFHXNCLFLX-UTLUCORTSA-N 1 2 332.198 0.582 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)[C@H]1C ZINC001088549754 750630334 /nfs/dbraw/zinc/63/03/34/750630334.db2.gz CKASXFHXNCLFLX-UTLUCORTSA-N 1 2 332.198 0.582 20 30 ECEDLO N#Cc1nccc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)n1 ZINC001059817811 751050269 /nfs/dbraw/zinc/05/02/69/751050269.db2.gz GYGPYFKJKDNYER-GRYCIOLGSA-N 1 2 337.387 0.672 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC000991609926 762103222 /nfs/dbraw/zinc/10/32/22/762103222.db2.gz FXUJFSPJVFWSSU-ZIAGYGMSSA-N 1 2 334.420 0.253 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC[N@@H+]([C@H]3CCN(CC)C3=O)CC2)c1 ZINC000981923263 751270687 /nfs/dbraw/zinc/27/06/87/751270687.db2.gz MWSKZACERFBQNJ-KRWDZBQOSA-N 1 2 340.427 0.832 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC[N@H+]([C@H]3CCN(CC)C3=O)CC2)c1 ZINC000981923263 751270693 /nfs/dbraw/zinc/27/06/93/751270693.db2.gz MWSKZACERFBQNJ-KRWDZBQOSA-N 1 2 340.427 0.832 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(CC)on3)C2)nn1 ZINC001105363390 752357516 /nfs/dbraw/zinc/35/75/16/752357516.db2.gz YTTYYRYIFSNLPB-UHFFFAOYSA-N 1 2 328.376 0.639 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CCOCC)[C@H](OC)C2)C1=O ZINC001212020280 752411182 /nfs/dbraw/zinc/41/11/82/752411182.db2.gz ZIFHUQPIQHJWRL-QLFBSQMISA-N 1 2 339.436 0.015 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CCOCC)[C@H](OC)C2)C1=O ZINC001212020280 752411190 /nfs/dbraw/zinc/41/11/90/752411190.db2.gz ZIFHUQPIQHJWRL-QLFBSQMISA-N 1 2 339.436 0.015 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC2=CCCCC2)[C@H](OC)C1 ZINC001212022353 752415368 /nfs/dbraw/zinc/41/53/68/752415368.db2.gz MUXZUZZHMBSTOX-USXIJHARSA-N 1 2 347.459 0.830 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC2=CCCCC2)[C@H](OC)C1 ZINC001212022353 752415374 /nfs/dbraw/zinc/41/53/74/752415374.db2.gz MUXZUZZHMBSTOX-USXIJHARSA-N 1 2 347.459 0.830 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(N(C)C)cc3)C2)nn1 ZINC001105366465 752462684 /nfs/dbraw/zinc/46/26/84/752462684.db2.gz RBKKVTDKOCNWKL-UHFFFAOYSA-N 1 2 338.415 0.764 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@H]2C)c1 ZINC001014045007 762134437 /nfs/dbraw/zinc/13/44/37/762134437.db2.gz TUYBOJPFMYPELR-MLGOLLRUSA-N 1 2 337.383 0.748 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cccnc2)[C@H](OC)C1 ZINC001211764967 752678188 /nfs/dbraw/zinc/67/81/88/752678188.db2.gz XFQYGMMQVFZRTG-NWANDNLSSA-N 1 2 332.404 0.201 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccnc2)[C@H](OC)C1 ZINC001211764967 752678190 /nfs/dbraw/zinc/67/81/90/752678190.db2.gz XFQYGMMQVFZRTG-NWANDNLSSA-N 1 2 332.404 0.201 20 30 ECEDLO C=CCOCCCC(=O)N[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)C[C@H]1OC ZINC001212092676 752712984 /nfs/dbraw/zinc/71/29/84/752712984.db2.gz MCFLNCVLLARWTG-QLFBSQMISA-N 1 2 339.436 0.015 20 30 ECEDLO C=CCOCCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1OC ZINC001212092676 752712986 /nfs/dbraw/zinc/71/29/86/752712986.db2.gz MCFLNCVLLARWTG-QLFBSQMISA-N 1 2 339.436 0.015 20 30 ECEDLO C=CCOCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccnn2C)C[C@H]1OC ZINC001212092882 752713096 /nfs/dbraw/zinc/71/30/96/752713096.db2.gz VLHLEGFMLVOIKU-HZPDHXFCSA-N 1 2 336.436 0.718 20 30 ECEDLO C=CCOCCCC(=O)N[C@@H]1C[N@H+](Cc2ccnn2C)C[C@H]1OC ZINC001212092882 752713100 /nfs/dbraw/zinc/71/31/00/752713100.db2.gz VLHLEGFMLVOIKU-HZPDHXFCSA-N 1 2 336.436 0.718 20 30 ECEDLO C=CCOCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1OC ZINC001212092587 752713162 /nfs/dbraw/zinc/71/31/62/752713162.db2.gz HZTGCGLBMFYFRI-HUUCEWRRSA-N 1 2 339.436 0.017 20 30 ECEDLO C=CCOCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1OC ZINC001212092587 752713166 /nfs/dbraw/zinc/71/31/66/752713166.db2.gz HZTGCGLBMFYFRI-HUUCEWRRSA-N 1 2 339.436 0.017 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001007669347 752750853 /nfs/dbraw/zinc/75/08/53/752750853.db2.gz TVCNXTRRVQTEOW-DYVFJYSZSA-N 1 2 345.403 0.332 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001007669347 752750857 /nfs/dbraw/zinc/75/08/57/752750857.db2.gz TVCNXTRRVQTEOW-DYVFJYSZSA-N 1 2 345.403 0.332 20 30 ECEDLO N#Cc1nccnc1N[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001058993607 752778932 /nfs/dbraw/zinc/77/89/32/752778932.db2.gz FCPGNZGJZRJGJV-OLZOCXBDSA-N 1 2 337.387 0.820 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1)CCO2 ZINC001007686863 752791450 /nfs/dbraw/zinc/79/14/50/752791450.db2.gz ZOFJDKRVPWRTFY-GOSISDBHSA-N 1 2 346.431 0.925 20 30 ECEDLO N#Cc1cnc(N[C@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)cn1 ZINC001058995814 752811539 /nfs/dbraw/zinc/81/15/39/752811539.db2.gz YVWGZNCVCITBOX-STQMWFEESA-N 1 2 337.387 0.820 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001007714717 752851386 /nfs/dbraw/zinc/85/13/86/752851386.db2.gz YPSUMAOBROJGDR-SJCJKPOMSA-N 1 2 345.403 0.250 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001007838938 752973822 /nfs/dbraw/zinc/97/38/22/752973822.db2.gz CXKOOCNQCCNEFY-DCGLDWPTSA-N 1 2 329.404 0.620 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3cccc(F)c3)C2)nn1 ZINC001105369482 752990157 /nfs/dbraw/zinc/99/01/57/752990157.db2.gz DLZDPWOTEQWIRF-UHFFFAOYSA-N 1 2 327.363 0.766 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)COc3ccccc3C)C2)nn1 ZINC001105369680 753002296 /nfs/dbraw/zinc/00/22/96/753002296.db2.gz KTSNICWXTORNGK-UHFFFAOYSA-N 1 2 339.399 0.772 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC001051488728 762186750 /nfs/dbraw/zinc/18/67/50/762186750.db2.gz ROALUCBTMBYCNJ-NWDGAFQWSA-N 1 2 335.408 0.844 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3[nH]nnc3C)C2)C1=O ZINC001008144201 753373796 /nfs/dbraw/zinc/37/37/96/753373796.db2.gz WBABLBAPYREUAS-QWHCGFSZSA-N 1 2 332.408 0.094 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3[nH]nnc3C)C2)C1=O ZINC001008144201 753373801 /nfs/dbraw/zinc/37/38/01/753373801.db2.gz WBABLBAPYREUAS-QWHCGFSZSA-N 1 2 332.408 0.094 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000938129726 753374039 /nfs/dbraw/zinc/37/40/39/753374039.db2.gz AIUMACMJODZSDP-ZDUSSCGKSA-N 1 2 327.388 0.971 20 30 ECEDLO Cn1nnc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001008211271 753468039 /nfs/dbraw/zinc/46/80/39/753468039.db2.gz BVUVGQYHQXPXQB-CYBMUJFWSA-N 1 2 343.366 0.615 20 30 ECEDLO Cn1nnc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001008211271 753468042 /nfs/dbraw/zinc/46/80/42/753468042.db2.gz BVUVGQYHQXPXQB-CYBMUJFWSA-N 1 2 343.366 0.615 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC[C@@H]3CCOC3)C2)nn1 ZINC001098649220 753652090 /nfs/dbraw/zinc/65/20/90/753652090.db2.gz MSGXKRCLNRLRDC-GDBMZVCRSA-N 1 2 331.420 0.591 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)n(C)n1 ZINC001083357711 753666196 /nfs/dbraw/zinc/66/61/96/753666196.db2.gz CIKVJQWERADJPR-HIFRSBDPSA-N 1 2 345.428 0.637 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)n(C)n1 ZINC001083357711 753666201 /nfs/dbraw/zinc/66/62/01/753666201.db2.gz CIKVJQWERADJPR-HIFRSBDPSA-N 1 2 345.428 0.637 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cncnc3CC)C2)nn1 ZINC001105372690 753680018 /nfs/dbraw/zinc/68/00/18/753680018.db2.gz SNMFSONZWRMRNO-UHFFFAOYSA-N 1 2 339.403 0.441 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)COc3cccc(C)c3)C2)nn1 ZINC001105372755 753682698 /nfs/dbraw/zinc/68/26/98/753682698.db2.gz WEZUQIOQJVWMTG-UHFFFAOYSA-N 1 2 339.399 0.772 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O)[C@H]1CCCOC1 ZINC001083367822 753698658 /nfs/dbraw/zinc/69/86/58/753698658.db2.gz UFSQTDIRDXRCBZ-JQHSSLGASA-N 1 2 346.402 0.765 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O)[C@H]1CCCOC1 ZINC001083367822 753698663 /nfs/dbraw/zinc/69/86/63/753698663.db2.gz UFSQTDIRDXRCBZ-JQHSSLGASA-N 1 2 346.402 0.765 20 30 ECEDLO CC(C)C#CC(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001059972200 753740536 /nfs/dbraw/zinc/74/05/36/753740536.db2.gz JXYCXPLSJXYYFP-OAHLLOKOSA-N 1 2 330.432 0.977 20 30 ECEDLO C#CCOCCC(=O)NCC[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001059972229 753740668 /nfs/dbraw/zinc/74/06/68/753740668.db2.gz KNFSTZGBENVQBH-HNNXBMFYSA-N 1 2 346.431 0.357 20 30 ECEDLO C=C1CCC(C(=O)N2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C[C@@H]2C)CC1 ZINC000989408553 753842781 /nfs/dbraw/zinc/84/27/81/753842781.db2.gz VGSSKRDDAGTJRQ-JSGCOSHPSA-N 1 2 333.436 0.934 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCN(C)c1cncc(C#N)n1 ZINC001105576845 753851505 /nfs/dbraw/zinc/85/15/05/753851505.db2.gz FGXSDMFPFXIDMY-GFCCVEGCSA-N 1 2 327.392 0.845 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCN(C)c1cncc(C#N)n1 ZINC001105576845 753851510 /nfs/dbraw/zinc/85/15/10/753851510.db2.gz FGXSDMFPFXIDMY-GFCCVEGCSA-N 1 2 327.392 0.845 20 30 ECEDLO C=CCOc1cccnc1C(=O)N1CCC[N@@H+]([C@H](C)C(=O)NC)CC1 ZINC000989452209 753955816 /nfs/dbraw/zinc/95/58/16/753955816.db2.gz SRZQWKWOQCFNRS-CQSZACIVSA-N 1 2 346.431 0.929 20 30 ECEDLO C=CCOc1cccnc1C(=O)N1CCC[N@H+]([C@H](C)C(=O)NC)CC1 ZINC000989452209 753955823 /nfs/dbraw/zinc/95/58/23/753955823.db2.gz SRZQWKWOQCFNRS-CQSZACIVSA-N 1 2 346.431 0.929 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N(C)CCN(C)c1nccnc1C#N ZINC001105602159 754028826 /nfs/dbraw/zinc/02/88/26/754028826.db2.gz KLLFCYUPSKSDME-UHFFFAOYSA-N 1 2 340.387 0.889 20 30 ECEDLO C[C@@H](CCNC(=O)CSCC#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001075678351 754029327 /nfs/dbraw/zinc/02/93/27/754029327.db2.gz XLEDRKOEYVLNPY-YNEHKIRRSA-N 1 2 349.460 0.791 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3nnc(CC)o3)C[C@@H]2C)nn1 ZINC000989536027 754079297 /nfs/dbraw/zinc/07/92/97/754079297.db2.gz HOCUUSLJMXPVOV-NWDGAFQWSA-N 1 2 345.407 0.802 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3cnsn3)C[C@H]2C)nn1 ZINC000989537123 754080960 /nfs/dbraw/zinc/08/09/60/754080960.db2.gz RPXYCQVKNFGLLD-GHMZBOCLSA-N 1 2 333.421 0.708 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NC)C2)cc1 ZINC001008793475 754124640 /nfs/dbraw/zinc/12/46/40/754124640.db2.gz UHZQZNSUKDIZOS-HNNXBMFYSA-N 1 2 329.400 0.639 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=O)NC)C2)cc1 ZINC001008793475 754124643 /nfs/dbraw/zinc/12/46/43/754124643.db2.gz UHZQZNSUKDIZOS-HNNXBMFYSA-N 1 2 329.400 0.639 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC3CC3)C2)nn1 ZINC001008817281 754152165 /nfs/dbraw/zinc/15/21/65/754152165.db2.gz YJORSLYLORGQSM-CQSZACIVSA-N 1 2 346.435 0.327 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NC3CC3)C2)nn1 ZINC001008817281 754152167 /nfs/dbraw/zinc/15/21/67/754152167.db2.gz YJORSLYLORGQSM-CQSZACIVSA-N 1 2 346.435 0.327 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](Nc2cnc(C#N)cn2)C1 ZINC001059069003 754167113 /nfs/dbraw/zinc/16/71/13/754167113.db2.gz INZPNXBXMQAHPF-IACUBPJLSA-N 1 2 337.387 0.898 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](Nc2ccnc(C#N)n2)C1 ZINC001059070465 754218870 /nfs/dbraw/zinc/21/88/70/754218870.db2.gz HBOWBHFZZHSJNM-YNEHKIRRSA-N 1 2 337.387 0.320 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000983061653 754532120 /nfs/dbraw/zinc/53/21/20/754532120.db2.gz MUJNUUQPZZWORG-FMKPAKJESA-N 1 2 346.431 0.816 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3nocc3C)C2)C1=O ZINC001009104944 754541232 /nfs/dbraw/zinc/54/12/32/754541232.db2.gz AYPIYCZRQZPTHR-ZIAGYGMSSA-N 1 2 332.404 0.964 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3nocc3C)C2)C1=O ZINC001009104944 754541234 /nfs/dbraw/zinc/54/12/34/754541234.db2.gz AYPIYCZRQZPTHR-ZIAGYGMSSA-N 1 2 332.404 0.964 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001060001717 754554958 /nfs/dbraw/zinc/55/49/58/754554958.db2.gz FDKFTKWDNOBGES-CVEARBPZSA-N 1 2 346.431 0.666 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001009265088 754721838 /nfs/dbraw/zinc/72/18/38/754721838.db2.gz WVARXPGWAOAGNF-HIFRSBDPSA-N 1 2 342.399 0.176 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC001009265088 754721841 /nfs/dbraw/zinc/72/18/41/754721841.db2.gz WVARXPGWAOAGNF-HIFRSBDPSA-N 1 2 342.399 0.176 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N(C)C3CC3)C2)cn1 ZINC001009267668 754724302 /nfs/dbraw/zinc/72/43/02/754724302.db2.gz DCKNMGZEOWKZGN-MRXNPFEDSA-N 1 2 340.427 0.878 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N(C)C3CC3)C2)cn1 ZINC001009267668 754724304 /nfs/dbraw/zinc/72/43/04/754724304.db2.gz DCKNMGZEOWKZGN-MRXNPFEDSA-N 1 2 340.427 0.878 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)cn1 ZINC001009278101 754736755 /nfs/dbraw/zinc/73/67/55/754736755.db2.gz SVBGRSHUEXNSOT-GJZGRUSLSA-N 1 2 340.383 0.062 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCC(=O)NC3=O)C2)cn1 ZINC001009278101 754736763 /nfs/dbraw/zinc/73/67/63/754736763.db2.gz SVBGRSHUEXNSOT-GJZGRUSLSA-N 1 2 340.383 0.062 20 30 ECEDLO Cn1ncc(C[N@@H+]2CC[C@@]3(NC(=O)c4c[nH]c(C#N)c4)CCC[C@H]23)n1 ZINC000990286811 754923360 /nfs/dbraw/zinc/92/33/60/754923360.db2.gz DZDVQJNJGCGWDJ-RDJZCZTQSA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1ncc(C[N@H+]2CC[C@@]3(NC(=O)c4c[nH]c(C#N)c4)CCC[C@H]23)n1 ZINC000990286811 754923366 /nfs/dbraw/zinc/92/33/66/754923366.db2.gz DZDVQJNJGCGWDJ-RDJZCZTQSA-N 1 2 339.403 0.942 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001060041648 755347162 /nfs/dbraw/zinc/34/71/62/755347162.db2.gz CFMCYZDVOLKFOY-LSDHHAIUSA-N 1 2 346.431 0.654 20 30 ECEDLO N#Cc1nccnc1NC[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001060049021 755484754 /nfs/dbraw/zinc/48/47/54/755484754.db2.gz REPVZCRHYXUOOE-GFCCVEGCSA-N 1 2 325.376 0.965 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)[C@H]1C ZINC001088772427 755626667 /nfs/dbraw/zinc/62/66/67/755626667.db2.gz ZUINRILNGSTHIF-UQOMUDLDSA-N 1 2 343.855 0.954 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)[C@H]1C ZINC001088772427 755626671 /nfs/dbraw/zinc/62/66/71/755626671.db2.gz ZUINRILNGSTHIF-UQOMUDLDSA-N 1 2 343.855 0.954 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)c2ccsc2)C1 ZINC001149137830 755826780 /nfs/dbraw/zinc/82/67/80/755826780.db2.gz RMOGSEVDYPISIQ-CQSZACIVSA-N 1 2 337.445 0.871 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)c2ccsc2)C1 ZINC001149137830 755826784 /nfs/dbraw/zinc/82/67/84/755826784.db2.gz RMOGSEVDYPISIQ-CQSZACIVSA-N 1 2 337.445 0.871 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccnn3CC)C2)nn1 ZINC001098659513 755830690 /nfs/dbraw/zinc/83/06/90/755830690.db2.gz RBQZLMPQVVHSRN-OAHLLOKOSA-N 1 2 341.419 0.695 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@@](C)(O)C3CC3)C2)nn1 ZINC001098659717 755847567 /nfs/dbraw/zinc/84/75/67/755847567.db2.gz RZCSNINGGTYJOC-DOTOQJQBSA-N 1 2 331.420 0.325 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@@](C)(O)C3CC3)C2)nn1 ZINC001098659719 755847829 /nfs/dbraw/zinc/84/78/29/755847829.db2.gz RZCSNINGGTYJOC-NVXWUHKLSA-N 1 2 331.420 0.325 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)C[C@@H]1O ZINC001083526292 755922380 /nfs/dbraw/zinc/92/23/80/755922380.db2.gz KIDFWIBFCJMYRM-XPKDYRNWSA-N 1 2 346.431 0.116 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)C[C@@H]1O ZINC001083526292 755922384 /nfs/dbraw/zinc/92/23/84/755922384.db2.gz KIDFWIBFCJMYRM-XPKDYRNWSA-N 1 2 346.431 0.116 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@H]1C ZINC001088824726 755929183 /nfs/dbraw/zinc/92/91/83/755929183.db2.gz TWLYELNRGPEBAO-ZJUUUORDSA-N 1 2 341.209 0.871 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@H]1C ZINC001088824726 755929187 /nfs/dbraw/zinc/92/91/87/755929187.db2.gz TWLYELNRGPEBAO-ZJUUUORDSA-N 1 2 341.209 0.871 20 30 ECEDLO CCc1noc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC001051597959 762431141 /nfs/dbraw/zinc/43/11/41/762431141.db2.gz DLNAZYUCIBDROE-TZMCWYRMSA-N 1 2 332.404 0.923 20 30 ECEDLO O=C(C#CC1CC1)N1CCO[C@H](C[NH2+]Cc2nc(C(F)F)no2)C1 ZINC001051609701 762459102 /nfs/dbraw/zinc/45/91/02/762459102.db2.gz ZQNYKCJCDAKVKJ-LLVKDONJSA-N 1 2 340.330 0.738 20 30 ECEDLO COc1cncc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001010697446 756412246 /nfs/dbraw/zinc/41/22/46/756412246.db2.gz KUCUCAZZTRYAGJ-LBPRGKRZSA-N 1 2 326.360 0.689 20 30 ECEDLO COc1cncc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001010697446 756412249 /nfs/dbraw/zinc/41/22/49/756412249.db2.gz KUCUCAZZTRYAGJ-LBPRGKRZSA-N 1 2 326.360 0.689 20 30 ECEDLO C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001076430034 756499352 /nfs/dbraw/zinc/49/93/52/756499352.db2.gz RMHYVCIGWWOUTC-NWANDNLSSA-N 1 2 328.416 0.948 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001076508939 756581014 /nfs/dbraw/zinc/58/10/14/756581014.db2.gz JSDJQUAWKPGASQ-KBPBESRZSA-N 1 2 334.420 0.402 20 30 ECEDLO N#Cc1cc(C(=O)N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)c[nH]1 ZINC001011025918 756786453 /nfs/dbraw/zinc/78/64/53/756786453.db2.gz JAIDQMCUZBPPPF-UHFFFAOYSA-N 1 2 326.360 0.527 20 30 ECEDLO N#Cc1cc(C(=O)N2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)c[nH]1 ZINC001011026886 756788271 /nfs/dbraw/zinc/78/82/71/756788271.db2.gz ODRIZRKDQUPGSL-UHFFFAOYSA-N 1 2 326.360 0.527 20 30 ECEDLO N#Cc1cc(C(=O)N2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)c[nH]1 ZINC001011026886 756788276 /nfs/dbraw/zinc/78/82/76/756788276.db2.gz ODRIZRKDQUPGSL-UHFFFAOYSA-N 1 2 326.360 0.527 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnc(C(F)(F)F)nc2)[C@@H](O)C1 ZINC001083552761 756856294 /nfs/dbraw/zinc/85/62/94/756856294.db2.gz TWKNKRMOIJRIPZ-MNOVXSKESA-N 1 2 328.294 0.294 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnc(C(F)(F)F)nc2)[C@@H](O)C1 ZINC001083552761 756856297 /nfs/dbraw/zinc/85/62/97/756856297.db2.gz TWKNKRMOIJRIPZ-MNOVXSKESA-N 1 2 328.294 0.294 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001011063083 756861134 /nfs/dbraw/zinc/86/11/34/756861134.db2.gz KHGKLFXXPJUEGV-YOEHRIQHSA-N 1 2 346.431 0.994 20 30 ECEDLO C=CCCn1cc(C(=O)NCC[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)nn1 ZINC001076711991 756902373 /nfs/dbraw/zinc/90/23/73/756902373.db2.gz QNSPVCWGKPJDTF-LBPRGKRZSA-N 1 2 345.407 0.445 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000990932634 756913448 /nfs/dbraw/zinc/91/34/48/756913448.db2.gz ORNBKRCCWVECKD-SNVBAGLBSA-N 1 2 326.360 0.429 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000990932634 756913451 /nfs/dbraw/zinc/91/34/51/756913451.db2.gz ORNBKRCCWVECKD-SNVBAGLBSA-N 1 2 326.360 0.429 20 30 ECEDLO N#Cc1cc(C(=O)NC2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)c[nH]1 ZINC000990932301 756913696 /nfs/dbraw/zinc/91/36/96/756913696.db2.gz LSYNKRVZSNTRQJ-LLVKDONJSA-N 1 2 338.371 0.286 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC001076758642 756980847 /nfs/dbraw/zinc/98/08/47/756980847.db2.gz BKKWBRCBZKBKAY-GVDBMIGSSA-N 1 2 329.400 0.789 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC001076758642 756980852 /nfs/dbraw/zinc/98/08/52/756980852.db2.gz BKKWBRCBZKBKAY-GVDBMIGSSA-N 1 2 329.400 0.789 20 30 ECEDLO C[C@@H](C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)n1cccn1 ZINC001076763628 757012623 /nfs/dbraw/zinc/01/26/23/757012623.db2.gz ZKAMDSIVNUUBCM-CGTJXYLNSA-N 1 2 338.411 0.657 20 30 ECEDLO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)n1cccn1 ZINC001076763628 757012630 /nfs/dbraw/zinc/01/26/30/757012630.db2.gz ZKAMDSIVNUUBCM-CGTJXYLNSA-N 1 2 338.411 0.657 20 30 ECEDLO C[C@@H](C#N)C(=O)NCc1cn(C2C[NH+](CCOC3CCC3)C2)nn1 ZINC001107149647 757051907 /nfs/dbraw/zinc/05/19/07/757051907.db2.gz MIGRMXJZNJSMMD-LBPRGKRZSA-N 1 2 332.408 0.480 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@@H]2C[N@@H+](Cc3nnc4n3CCCC4)C[C@@H]2C1 ZINC001048810364 757068511 /nfs/dbraw/zinc/06/85/11/757068511.db2.gz JRCBLPHHSJTAMM-IYBDPMFKSA-N 1 2 339.443 0.918 20 30 ECEDLO O=C(C#CC1CC1)N1C[C@@H]2C[N@H+](Cc3nnc4n3CCCC4)C[C@@H]2C1 ZINC001048810364 757068517 /nfs/dbraw/zinc/06/85/17/757068517.db2.gz JRCBLPHHSJTAMM-IYBDPMFKSA-N 1 2 339.443 0.918 20 30 ECEDLO CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@@H]1O ZINC001048813832 757078181 /nfs/dbraw/zinc/07/81/81/757078181.db2.gz NJIKEZKZDMXPKN-KBMXLJTQSA-N 1 2 346.431 0.278 20 30 ECEDLO CC(C)C#CC(=O)N(C)[C@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001048813832 757078192 /nfs/dbraw/zinc/07/81/92/757078192.db2.gz NJIKEZKZDMXPKN-KBMXLJTQSA-N 1 2 346.431 0.278 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3ocnc3C)nn2)C1 ZINC001107154026 757119266 /nfs/dbraw/zinc/11/92/66/757119266.db2.gz UGLNAIKANMRZSI-UHFFFAOYSA-N 1 2 346.391 0.564 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)[C@H]1CCCOC1 ZINC001076793130 757188799 /nfs/dbraw/zinc/18/87/99/757188799.db2.gz BNJXWMLXKZJZJM-RCCFBDPRSA-N 1 2 328.412 0.626 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)[C@H]1CCCOC1 ZINC001076793130 757188801 /nfs/dbraw/zinc/18/88/01/757188801.db2.gz BNJXWMLXKZJZJM-RCCFBDPRSA-N 1 2 328.412 0.626 20 30 ECEDLO N#Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCOC3)C2)ccc1F ZINC001076793893 757191005 /nfs/dbraw/zinc/19/10/05/757191005.db2.gz MQNIFKLYBSBEHJ-IAOVAPTHSA-N 1 2 347.390 0.785 20 30 ECEDLO N#Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCOC3)C2)ccc1F ZINC001076793893 757191013 /nfs/dbraw/zinc/19/10/13/757191013.db2.gz MQNIFKLYBSBEHJ-IAOVAPTHSA-N 1 2 347.390 0.785 20 30 ECEDLO CC(C)C#CC(=O)NCc1cn(C2C[NH+](CCOC3CCC3)C2)nn1 ZINC001107169745 757207899 /nfs/dbraw/zinc/20/78/99/757207899.db2.gz QYJDJXZLVIUHRQ-UHFFFAOYSA-N 1 2 345.447 0.980 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCc1cn(C2C[NH+](CC=C(C)C)C2)nn1 ZINC001107169801 757208048 /nfs/dbraw/zinc/20/80/48/757208048.db2.gz UGIWBRAMPTZJMA-CQSZACIVSA-N 1 2 331.420 0.756 20 30 ECEDLO C=CCC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC001048861796 757211614 /nfs/dbraw/zinc/21/16/14/757211614.db2.gz POISGWPINCOJBR-KBPBESRZSA-N 1 2 334.420 0.516 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCOC3)C2)s1 ZINC001076824083 757275843 /nfs/dbraw/zinc/27/58/43/757275843.db2.gz VTYWLXMSZZUJLV-KCPJHIHWSA-N 1 2 335.429 0.708 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCOC3)C2)s1 ZINC001076824083 757275851 /nfs/dbraw/zinc/27/58/51/757275851.db2.gz VTYWLXMSZZUJLV-KCPJHIHWSA-N 1 2 335.429 0.708 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCc3cnn(C)c3C)nn2)C1 ZINC001107174667 757289103 /nfs/dbraw/zinc/28/91/03/757289103.db2.gz WGLPLXPZBYSMNR-UHFFFAOYSA-N 1 2 343.435 0.612 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)Cc3cnc(C)o3)nn2)C1 ZINC001107179573 757295045 /nfs/dbraw/zinc/29/50/45/757295045.db2.gz MWZOIUCNUNOCGW-UHFFFAOYSA-N 1 2 328.376 0.313 20 30 ECEDLO O=C(NCC[NH2+]CCCNC(=O)C(F)(F)F)C(F)C(F)(F)F ZINC001127731552 757353008 /nfs/dbraw/zinc/35/30/08/757353008.db2.gz VUGCNMQDDWFVOR-LURJTMIESA-N 1 2 341.227 0.661 20 30 ECEDLO O=C(NCC[NH2+]CCCNC(=O)C(F)(F)F)[C@H](F)C(F)(F)F ZINC001127731552 757353017 /nfs/dbraw/zinc/35/30/17/757353017.db2.gz VUGCNMQDDWFVOR-LURJTMIESA-N 1 2 341.227 0.661 20 30 ECEDLO O=C(C#CC1CC1)N1CC(NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000996330483 757392519 /nfs/dbraw/zinc/39/25/19/757392519.db2.gz HDQHFKITDKTQLQ-QGZVFWFLSA-N 1 2 345.443 0.228 20 30 ECEDLO O=C(C#CC1CC1)N1CC(NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000996330483 757392527 /nfs/dbraw/zinc/39/25/27/757392527.db2.gz 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CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3cc(C)ccc3O2)[C@@H](O)C1 ZINC001083642089 760208507 /nfs/dbraw/zinc/20/85/07/760208507.db2.gz PIYMNJKAULHZJK-SOLBZPMBSA-N 1 2 328.412 0.873 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[NH2+]Cc1nnc([C@H]2CCCOC2)o1 ZINC001127046052 760452188 /nfs/dbraw/zinc/45/21/88/760452188.db2.gz KTGSMQDJUDCNRQ-OLZOCXBDSA-N 1 2 336.392 0.208 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2noc3c2CC(C)(C)CC3)C1 ZINC001077438889 760506953 /nfs/dbraw/zinc/50/69/53/760506953.db2.gz UGPHOCJDGYTGLA-ZIAGYGMSSA-N 1 2 331.416 0.988 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2noc3c2CC(C)(C)CC3)C1 ZINC001077438889 760506960 /nfs/dbraw/zinc/50/69/60/760506960.db2.gz UGPHOCJDGYTGLA-ZIAGYGMSSA-N 1 2 331.416 0.988 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[NH+](Cc1nncn1C)CC2 ZINC001050670996 760651457 /nfs/dbraw/zinc/65/14/57/760651457.db2.gz YKNDUANLCOMMCU-CABCVRRESA-N 1 2 345.447 0.831 20 30 ECEDLO C=CCCC(=O)N(C)[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1O ZINC001048540418 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UMBHFFNLRNTKCZ-OAGGEKHMSA-N 1 2 347.459 0.515 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2CC[C@H]2CCCO2)[nH]1 ZINC001050872107 761045635 /nfs/dbraw/zinc/04/56/35/761045635.db2.gz JZFUDESKHRNNBF-HUUCEWRRSA-N 1 2 332.404 0.886 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2CC[C@H]2CCCO2)[nH]1 ZINC001050872107 761045644 /nfs/dbraw/zinc/04/56/44/761045644.db2.gz JZFUDESKHRNNBF-HUUCEWRRSA-N 1 2 332.404 0.886 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnnn3C(C)(C)C)C[C@@H]2C1 ZINC001048727574 761054744 /nfs/dbraw/zinc/05/47/44/761054744.db2.gz LMAQGKKTNCPIJW-UPJWGTAASA-N 1 2 331.424 0.478 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3nnnn3C(C)(C)C)C[C@@H]2C1 ZINC001048727574 761054749 /nfs/dbraw/zinc/05/47/49/761054749.db2.gz LMAQGKKTNCPIJW-UPJWGTAASA-N 1 2 331.424 0.478 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[C@H](C)SC)[C@H](OC)C1 ZINC001212143768 761089330 /nfs/dbraw/zinc/08/93/30/761089330.db2.gz PAMUBEBVCJBYPG-YNEHKIRRSA-N 1 2 329.466 0.246 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[C@H](C)SC)[C@H](OC)C1 ZINC001212143768 761089338 /nfs/dbraw/zinc/08/93/38/761089338.db2.gz PAMUBEBVCJBYPG-YNEHKIRRSA-N 1 2 329.466 0.246 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1c1cncc(C#N)n1 ZINC001048759980 761126176 /nfs/dbraw/zinc/12/61/76/761126176.db2.gz VRYMSXXAGHRTKE-LSDHHAIUSA-N 1 2 339.403 0.798 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001050919337 761142867 /nfs/dbraw/zinc/14/28/67/761142867.db2.gz HSKLYROKDMKNAI-DZGCQCFKSA-N 1 2 347.419 0.156 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001050919337 761142872 /nfs/dbraw/zinc/14/28/72/761142872.db2.gz HSKLYROKDMKNAI-DZGCQCFKSA-N 1 2 347.419 0.156 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001050993508 761289353 /nfs/dbraw/zinc/28/93/53/761289353.db2.gz NKIHTQQASZWPLZ-GJZGRUSLSA-N 1 2 346.431 0.735 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001050993508 761289358 /nfs/dbraw/zinc/28/93/58/761289358.db2.gz NKIHTQQASZWPLZ-GJZGRUSLSA-N 1 2 346.431 0.735 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cc1c[nH+]cn1C ZINC001013324265 761307994 /nfs/dbraw/zinc/30/79/94/761307994.db2.gz FPFWUTGUUYSSTB-FZMZJTMJSA-N 1 2 340.387 0.582 20 30 ECEDLO C#CCCN1CCOC[C@@H]1CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001051045914 761386107 /nfs/dbraw/zinc/38/61/07/761386107.db2.gz GNTCHNFMFQEPJV-ZWKOTPCHSA-N 1 2 349.475 0.328 20 30 ECEDLO C#CCCN1CCOC[C@@H]1CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001051045914 761386118 /nfs/dbraw/zinc/38/61/18/761386118.db2.gz GNTCHNFMFQEPJV-ZWKOTPCHSA-N 1 2 349.475 0.328 20 30 ECEDLO C#CCCN1CCOC[C@@H]1CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001051045913 761386471 /nfs/dbraw/zinc/38/64/71/761386471.db2.gz GNTCHNFMFQEPJV-ROUUACIJSA-N 1 2 349.475 0.328 20 30 ECEDLO C#CCCN1CCOC[C@@H]1CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001051045913 761386479 /nfs/dbraw/zinc/38/64/79/761386479.db2.gz GNTCHNFMFQEPJV-ROUUACIJSA-N 1 2 349.475 0.328 20 30 ECEDLO C=CC[NH+]1CC(OC2CCN(C(=O)COCCCOC)CC2)C1 ZINC001105731531 761396001 /nfs/dbraw/zinc/39/60/01/761396001.db2.gz RYDCHYRFSKADQT-UHFFFAOYSA-N 1 2 326.437 0.917 20 30 ECEDLO C#CCCN1CCOC[C@H]1CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001051076071 761445521 /nfs/dbraw/zinc/44/55/21/761445521.db2.gz OOHCEAAMTKBFNN-QZTJIDSGSA-N 1 2 349.475 0.470 20 30 ECEDLO C#CCCN1CCOC[C@H]1CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001051076071 761445525 /nfs/dbraw/zinc/44/55/25/761445525.db2.gz OOHCEAAMTKBFNN-QZTJIDSGSA-N 1 2 349.475 0.470 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1c2n(c(=O)n1C)CCCC2 ZINC001051111646 761510605 /nfs/dbraw/zinc/51/06/05/761510605.db2.gz XBBHDJKNYKJEDB-CQSZACIVSA-N 1 2 348.447 0.530 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1c2n(c(=O)n1C)CCCC2 ZINC001051111646 761510610 /nfs/dbraw/zinc/51/06/10/761510610.db2.gz XBBHDJKNYKJEDB-CQSZACIVSA-N 1 2 348.447 0.530 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc(C)c(C(N)=O)cn1 ZINC001051119474 761521007 /nfs/dbraw/zinc/52/10/07/761521007.db2.gz COAKLVOHYKDCBM-CYBMUJFWSA-N 1 2 332.404 0.496 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc(C)c(C(N)=O)cn1 ZINC001051119474 761521010 /nfs/dbraw/zinc/52/10/10/761521010.db2.gz COAKLVOHYKDCBM-CYBMUJFWSA-N 1 2 332.404 0.496 20 30 ECEDLO COCc1noc(C[NH2+][C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)n1 ZINC001054576741 768048487 /nfs/dbraw/zinc/04/84/87/768048487.db2.gz WEJSCNMRZMZOTA-ZWNOBZJWSA-N 1 2 344.375 0.666 20 30 ECEDLO C#CCN1CCOC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001051208108 761691283 /nfs/dbraw/zinc/69/12/83/761691283.db2.gz XXZWLPIUNXAHAB-OAHLLOKOSA-N 1 2 325.372 0.331 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc2nnn(C)c21 ZINC001051269656 761798429 /nfs/dbraw/zinc/79/84/29/761798429.db2.gz BGEBORHBIHRXCC-ZDUSSCGKSA-N 1 2 329.404 0.975 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc2nnn(C)c21 ZINC001051269656 761798435 /nfs/dbraw/zinc/79/84/35/761798435.db2.gz BGEBORHBIHRXCC-ZDUSSCGKSA-N 1 2 329.404 0.975 20 30 ECEDLO Cc1ccc(C#N)c(N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)n1 ZINC001051698163 762722669 /nfs/dbraw/zinc/72/26/69/762722669.db2.gz ALGOHEUUKWDEOA-CABCVRRESA-N 1 2 340.387 0.214 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001017528277 768087180 /nfs/dbraw/zinc/08/71/80/768087180.db2.gz CSGPBIDBJCCDND-DZGCQCFKSA-N 1 2 341.415 0.880 20 30 ECEDLO N#Cc1c(Cl)nsc1NC[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001105938194 762940752 /nfs/dbraw/zinc/94/07/52/762940752.db2.gz VERSOKRDSBIXKK-ZETCQYMHSA-N 1 2 340.796 0.523 20 30 ECEDLO C=C1CCC(C(=O)N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](O)C2)CC1 ZINC000991723631 762978714 /nfs/dbraw/zinc/97/87/14/762978714.db2.gz RAYIBNMCRDKIPK-HUUCEWRRSA-N 1 2 346.431 0.777 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cnsn2)C1 ZINC001051834206 763076045 /nfs/dbraw/zinc/07/60/45/763076045.db2.gz JKOVFQWPUOBKKL-MCIONIFRSA-N 1 2 338.433 0.446 20 30 ECEDLO C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001046803688 763141273 /nfs/dbraw/zinc/14/12/73/763141273.db2.gz GDAYNYONXXEALO-ZIAGYGMSSA-N 1 2 346.431 0.569 20 30 ECEDLO C=C(C)CCC(=O)NC[C@@H](O)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001105986329 763249305 /nfs/dbraw/zinc/24/93/05/763249305.db2.gz GCTBZTCUVPDVCK-CYBMUJFWSA-N 1 2 333.436 0.710 20 30 ECEDLO C=C(C)CCC(=O)NC[C@@H](O)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001105986329 763249313 /nfs/dbraw/zinc/24/93/13/763249313.db2.gz GCTBZTCUVPDVCK-CYBMUJFWSA-N 1 2 333.436 0.710 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2O)C1 ZINC000991758303 763289401 /nfs/dbraw/zinc/28/94/01/763289401.db2.gz CLGWBQWCRJRKRB-KGLIPLIRSA-N 1 2 332.404 0.387 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2O)C1 ZINC000991766214 763333930 /nfs/dbraw/zinc/33/39/30/763333930.db2.gz XUFXZKOZQRCEKH-CABCVRRESA-N 1 2 346.431 0.777 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]2O)C1 ZINC000991766214 763333935 /nfs/dbraw/zinc/33/39/35/763333935.db2.gz XUFXZKOZQRCEKH-CABCVRRESA-N 1 2 346.431 0.777 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2C[N@H+](CC(N)=O)CCC2(F)F)c[nH]1 ZINC001046931173 763408470 /nfs/dbraw/zinc/40/84/70/763408470.db2.gz RMZZDBZPTQASQS-JTQLQIEISA-N 1 2 325.319 0.059 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)CCC2(F)F)c[nH]1 ZINC001046931173 763408476 /nfs/dbraw/zinc/40/84/76/763408476.db2.gz RMZZDBZPTQASQS-JTQLQIEISA-N 1 2 325.319 0.059 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)CCC2(F)F)cc1 ZINC001046961905 763469885 /nfs/dbraw/zinc/46/98/85/763469885.db2.gz UREBMULXJCIXID-CQSZACIVSA-N 1 2 335.354 0.840 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)CCC2(F)F)cc1 ZINC001046961905 763469889 /nfs/dbraw/zinc/46/98/89/763469889.db2.gz UREBMULXJCIXID-CQSZACIVSA-N 1 2 335.354 0.840 20 30 ECEDLO C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCc3n[nH]nc32)C1 ZINC001046973009 763492842 /nfs/dbraw/zinc/49/28/42/763492842.db2.gz WZEADEIOQRIDRL-VXGBXAGGSA-N 1 2 337.374 0.931 20 30 ECEDLO C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCc3n[nH]nc32)C1 ZINC001046973009 763492848 /nfs/dbraw/zinc/49/28/48/763492848.db2.gz WZEADEIOQRIDRL-VXGBXAGGSA-N 1 2 337.374 0.931 20 30 ECEDLO CCc1noc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)n1 ZINC001051997820 763548299 /nfs/dbraw/zinc/54/82/99/763548299.db2.gz JEVLPFOCDCYWPL-KGLIPLIRSA-N 1 2 346.435 0.510 20 30 ECEDLO CCc1nnc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)o1 ZINC001051997827 763549189 /nfs/dbraw/zinc/54/91/89/763549189.db2.gz JFGUMWHSBJSDAS-KBPBESRZSA-N 1 2 346.435 0.510 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001077536612 768144446 /nfs/dbraw/zinc/14/44/46/768144446.db2.gz MYCYEVZSDOEJGP-ILOCAZANSA-N 1 2 326.396 0.092 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001077536612 768144449 /nfs/dbraw/zinc/14/44/49/768144449.db2.gz MYCYEVZSDOEJGP-ILOCAZANSA-N 1 2 326.396 0.092 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc[nH]c(=O)c3)C2)CC1 ZINC001052011123 763580954 /nfs/dbraw/zinc/58/09/54/763580954.db2.gz NDUCMDBKTBCOHE-MRXNPFEDSA-N 1 2 328.416 0.643 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3cccnc3)C2)CC1 ZINC001052014260 763587963 /nfs/dbraw/zinc/58/79/63/763587963.db2.gz DJTJSLBWTNVOKP-SFHVURJKSA-N 1 2 326.444 0.866 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ncccc3F)C2)nn1 ZINC001098757242 763616156 /nfs/dbraw/zinc/61/61/56/763616156.db2.gz JZKPKNOIMHCGML-ZDUSSCGKSA-N 1 2 328.351 0.622 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(OC)ncn3)C2)CC1 ZINC001052026144 763619091 /nfs/dbraw/zinc/61/90/91/763619091.db2.gz ASTAWEIGQISQFO-HNNXBMFYSA-N 1 2 343.431 0.341 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn(C4CCC4)nn3)C2)CC1 ZINC001052028491 763623044 /nfs/dbraw/zinc/62/30/44/763623044.db2.gz PVPVROMUJRMOKD-OAHLLOKOSA-N 1 2 343.435 0.359 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C4CC4)nn3C)C2)CC1 ZINC001052035921 763645382 /nfs/dbraw/zinc/64/53/82/763645382.db2.gz UIEIEWHMTQLYQM-MRXNPFEDSA-N 1 2 341.459 0.763 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc4n[nH]cc4c3)C2)CC1 ZINC001052040430 763661169 /nfs/dbraw/zinc/66/11/69/763661169.db2.gz FUSFMTJVEDRQDK-HNNXBMFYSA-N 1 2 339.403 0.314 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCS2(=O)=O)C(C)(C)C1 ZINC000941232890 763663601 /nfs/dbraw/zinc/66/36/01/763663601.db2.gz QKXHTFITLHARJN-UONOGXRCSA-N 1 2 326.462 0.804 20 30 ECEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCS2(=O)=O)C(C)(C)C1 ZINC000941232890 763663604 /nfs/dbraw/zinc/66/36/04/763663604.db2.gz QKXHTFITLHARJN-UONOGXRCSA-N 1 2 326.462 0.804 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCCC(=O)N3)C2)CC1 ZINC001052041191 763665925 /nfs/dbraw/zinc/66/59/25/763665925.db2.gz VHWGZCRZPHNTFY-HZPDHXFCSA-N 1 2 334.464 0.450 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C3CCC(C(N)=O)CC3)C2)CC1 ZINC001052045659 763682911 /nfs/dbraw/zinc/68/29/11/763682911.db2.gz VWLGYEKISUTBTK-OFLPRAFFSA-N 1 2 346.475 0.130 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)CN3CCCCC3=O)C2)CC1 ZINC001052048631 763697837 /nfs/dbraw/zinc/69/78/37/763697837.db2.gz ZIRQCARRMDKSCP-KRWDZBQOSA-N 1 2 348.491 0.794 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)Cn3nc(C)cc3C)C2)CC1 ZINC001052050254 763706297 /nfs/dbraw/zinc/70/62/97/763706297.db2.gz UIAQKXXCIQIVKL-SFHVURJKSA-N 1 2 343.475 0.742 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ncc4ccccn43)C2)CC1 ZINC001052052684 763717189 /nfs/dbraw/zinc/71/71/89/763717189.db2.gz ULMGBSLRBJIBLV-MRXNPFEDSA-N 1 2 338.415 0.690 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@H]([NH2+]Cc2nnn(C)n2)[C@@H](C)C1 ZINC001054681168 768157457 /nfs/dbraw/zinc/15/74/57/768157457.db2.gz QLZFLKBISBZINK-ONGXEEELSA-N 1 2 326.832 0.925 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3C)C2)CC1 ZINC001052068382 763761557 /nfs/dbraw/zinc/76/15/57/763761557.db2.gz HJPSPVGQJQFHNL-HZPDHXFCSA-N 1 2 334.464 0.402 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@]3(C)CCC(=O)NC3)C2)CC1 ZINC001052069209 763764747 /nfs/dbraw/zinc/76/47/47/763764747.db2.gz UAOLIOPSFVWDCY-APWZRJJASA-N 1 2 346.475 0.145 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3nnn(CC)c3CC)C2)CC1 ZINC001052081193 763797954 /nfs/dbraw/zinc/79/79/54/763797954.db2.gz KRJANUIVOGLYCY-OAHLLOKOSA-N 1 2 346.479 0.879 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)C3(CF)CCOCC3)C2)CC1 ZINC001052083518 763805542 /nfs/dbraw/zinc/80/55/42/763805542.db2.gz MMGVDRUSXBANCY-HNNXBMFYSA-N 1 2 338.427 0.495 20 30 ECEDLO CC(C)c1cc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)[nH]n1 ZINC001052087352 763818574 /nfs/dbraw/zinc/81/85/74/763818574.db2.gz TZQFFWTZNGCHME-CQSZACIVSA-N 1 2 330.436 0.889 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(C4CC4)no3)C2)CC1 ZINC001052093594 763837623 /nfs/dbraw/zinc/83/76/23/763837623.db2.gz OBIPPYIGIVDYOV-AWEZNQCLSA-N 1 2 329.404 0.908 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(COC)on3)C2)CC1 ZINC001052094151 763840238 /nfs/dbraw/zinc/84/02/38/763840238.db2.gz YUWLIRHBYKNTMQ-AWEZNQCLSA-N 1 2 334.420 0.839 20 30 ECEDLO Cc1ncc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)c(C)n1 ZINC001052099613 763859324 /nfs/dbraw/zinc/85/93/24/763859324.db2.gz NZVTVIXMMJHYFY-OAHLLOKOSA-N 1 2 328.420 0.449 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3coc(COC)n3)C2)CC1 ZINC001052102669 763866747 /nfs/dbraw/zinc/86/67/47/763866747.db2.gz GXZQZKBFSNSKGQ-AWEZNQCLSA-N 1 2 332.404 0.286 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3coc(COC)n3)C2)CC1 ZINC001052102669 763866751 /nfs/dbraw/zinc/86/67/51/763866751.db2.gz GXZQZKBFSNSKGQ-AWEZNQCLSA-N 1 2 332.404 0.286 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccc(OC)n3)C2)CC1 ZINC001052104926 763874455 /nfs/dbraw/zinc/87/44/55/763874455.db2.gz BLTVDQOBXNOWCZ-OAHLLOKOSA-N 1 2 328.416 0.556 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc(OC)nc3)C2)CC1 ZINC001052105325 763875965 /nfs/dbraw/zinc/87/59/65/763875965.db2.gz IOZDIEHXMLFSPB-INIZCTEOSA-N 1 2 343.431 0.341 20 30 ECEDLO CN(C(=O)c1cnccn1)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047286336 763887545 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332.408 0.855 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3nocc3C)C2)nn1 ZINC001098763243 764333439 /nfs/dbraw/zinc/33/34/39/764333439.db2.gz VWUBJGXYVPOZTH-AWEZNQCLSA-N 1 2 328.376 0.775 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncoc2C(F)(F)F)C1 ZINC001047436436 764339325 /nfs/dbraw/zinc/33/93/25/764339325.db2.gz ZSUGGPSTSRURPA-UWVGGRQHSA-N 1 2 331.294 0.834 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ncoc2C(F)(F)F)C1 ZINC001047436436 764339328 /nfs/dbraw/zinc/33/93/28/764339328.db2.gz ZSUGGPSTSRURPA-UWVGGRQHSA-N 1 2 331.294 0.834 20 30 ECEDLO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3cc[nH]c(=O)c3s2)C1 ZINC001047437919 764343212 /nfs/dbraw/zinc/34/32/12/764343212.db2.gz CNQWMWLUTYYBEO-RYUDHWBXSA-N 1 2 333.413 0.893 20 30 ECEDLO C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3cc[nH]c(=O)c3s2)C1 ZINC001047437919 764343216 /nfs/dbraw/zinc/34/32/16/764343216.db2.gz CNQWMWLUTYYBEO-RYUDHWBXSA-N 1 2 333.413 0.893 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cccc(OC)n3)C2)nn1 ZINC001098763506 764361240 /nfs/dbraw/zinc/36/12/40/764361240.db2.gz YTFQWISQXWUTGK-CQSZACIVSA-N 1 2 340.387 0.492 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2nnnn2C)CC1 ZINC001052388644 764390637 /nfs/dbraw/zinc/39/06/37/764390637.db2.gz JRTQSIIGXQIMGK-ZNMIVQPWSA-N 1 2 348.451 0.662 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2nnnn2C)CC1 ZINC001052388644 764390645 /nfs/dbraw/zinc/39/06/45/764390645.db2.gz JRTQSIIGXQIMGK-ZNMIVQPWSA-N 1 2 348.451 0.662 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2conc2C(F)(F)F)C1 ZINC001047458599 764407881 /nfs/dbraw/zinc/40/78/81/764407881.db2.gz VMRSBCDRJDUPBP-QWRGUYRKSA-N 1 2 331.294 0.834 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2conc2C(F)(F)F)C1 ZINC001047458599 764407884 /nfs/dbraw/zinc/40/78/84/764407884.db2.gz VMRSBCDRJDUPBP-QWRGUYRKSA-N 1 2 331.294 0.834 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC001047478070 764459282 /nfs/dbraw/zinc/45/92/82/764459282.db2.gz 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764757786 /nfs/dbraw/zinc/75/77/86/764757786.db2.gz DFQFLQFINJSSCJ-HOTGVXAUSA-N 1 2 339.399 0.528 20 30 ECEDLO C#CCOc1ncccc1C(=O)N(C)[C@H]1C[N@H+](C[C@@H](F)CC)C[C@@H]1O ZINC001047602056 764846406 /nfs/dbraw/zinc/84/64/06/764846406.db2.gz XKEOYFHTLIGELF-BPUTZDHNSA-N 1 2 349.406 0.959 20 30 ECEDLO C#CCOc1ncccc1C(=O)N(C)[C@H]1C[N@@H+](C[C@@H](F)CC)C[C@@H]1O ZINC001047602056 764846413 /nfs/dbraw/zinc/84/64/13/764846413.db2.gz XKEOYFHTLIGELF-BPUTZDHNSA-N 1 2 349.406 0.959 20 30 ECEDLO CN1C[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)NC1=O ZINC001015514435 764851424 /nfs/dbraw/zinc/85/14/24/764851424.db2.gz QMAPTDHLUSLADV-UKRRQHHQSA-N 1 2 345.378 0.411 20 30 ECEDLO CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)NC1=O ZINC001015514435 764851434 /nfs/dbraw/zinc/85/14/34/764851434.db2.gz QMAPTDHLUSLADV-UKRRQHHQSA-N 1 2 345.378 0.411 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(c3ccccc3)CCCO2)C1 ZINC001047610028 764872376 /nfs/dbraw/zinc/87/23/76/764872376.db2.gz SJCXSLJFFQEJIC-LNLFQRSKSA-N 1 2 328.412 0.829 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(c3ccccc3)CCCO2)C1 ZINC001047610028 764872381 /nfs/dbraw/zinc/87/23/81/764872381.db2.gz SJCXSLJFFQEJIC-LNLFQRSKSA-N 1 2 328.412 0.829 20 30 ECEDLO CN1CC[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)C1=O ZINC001015563075 764967955 /nfs/dbraw/zinc/96/79/55/764967955.db2.gz JNFAHMIFPYVMAS-HUUCEWRRSA-N 1 2 344.390 0.866 20 30 ECEDLO CN1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)C1=O ZINC001015563075 764967957 /nfs/dbraw/zinc/96/79/57/764967957.db2.gz JNFAHMIFPYVMAS-HUUCEWRRSA-N 1 2 344.390 0.866 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC001015591960 765019734 /nfs/dbraw/zinc/01/97/34/765019734.db2.gz SLCBIBGZXHUZSC-YPMHNXCESA-N 1 2 340.387 0.867 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccncc2C#N)C1 ZINC001052727186 765047611 /nfs/dbraw/zinc/04/76/11/765047611.db2.gz HUAULTMZYBIEBR-JGGQBBKZSA-N 1 2 349.398 0.675 20 30 ECEDLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1CNC(=O)CSCC#N ZINC001052865737 765250338 /nfs/dbraw/zinc/25/03/38/765250338.db2.gz BUUXSSTZKOGOFP-OLZOCXBDSA-N 1 2 335.433 0.351 20 30 ECEDLO C=CCCOCC(=O)NC[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001052868872 765260680 /nfs/dbraw/zinc/26/06/80/765260680.db2.gz XXQRJAFISMCJNS-CABCVRRESA-N 1 2 334.420 0.687 20 30 ECEDLO C=CCCOCC(=O)NC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001052868874 765260734 /nfs/dbraw/zinc/26/07/34/765260734.db2.gz XXQRJAFISMCJNS-HUUCEWRRSA-N 1 2 334.420 0.687 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ncnn3C)CC2)nc1 ZINC001052876407 765277950 /nfs/dbraw/zinc/27/79/50/765277950.db2.gz VNJBLSAVYJMOIF-OAHLLOKOSA-N 1 2 338.415 0.976 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ncnn3C)CC2)nc1 ZINC001052876407 765277957 /nfs/dbraw/zinc/27/79/57/765277957.db2.gz VNJBLSAVYJMOIF-OAHLLOKOSA-N 1 2 338.415 0.976 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCCC3)C2)nn1 ZINC001015821340 765383913 /nfs/dbraw/zinc/38/39/13/765383913.db2.gz UJRHZKVKNYODMH-CQSZACIVSA-N 1 2 346.435 0.281 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)nn1 ZINC001015821340 765383919 /nfs/dbraw/zinc/38/39/19/765383919.db2.gz UJRHZKVKNYODMH-CQSZACIVSA-N 1 2 346.435 0.281 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3nc(C)oc3C)C2)C1=O ZINC001015898187 765512773 /nfs/dbraw/zinc/51/27/73/765512773.db2.gz KXMUIPSWFLNMSH-KBPBESRZSA-N 1 2 332.404 0.882 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3nc(C)oc3C)C2)C1=O ZINC001015898187 765512776 /nfs/dbraw/zinc/51/27/76/765512776.db2.gz KXMUIPSWFLNMSH-KBPBESRZSA-N 1 2 332.404 0.882 20 30 ECEDLO C#CCOCCC(=O)NC[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001053107956 765584817 /nfs/dbraw/zinc/58/48/17/765584817.db2.gz DXUJEXBKNBPWIJ-HIFRSBDPSA-N 1 2 346.431 0.511 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](CNC(=O)C#CC2CC2)[C@H](C)C1 ZINC001053108751 765587468 /nfs/dbraw/zinc/58/74/68/765587468.db2.gz JBHZUDJWXGELFI-IUODEOHRSA-N 1 2 328.416 0.885 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H](C)CCNC(=O)Cc2c[nH+]cn2C)nn1 ZINC001077498677 765718225 /nfs/dbraw/zinc/71/82/25/765718225.db2.gz UTNMDZDDCKXQJE-LBPRGKRZSA-N 1 2 345.407 0.065 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001016013078 765719753 /nfs/dbraw/zinc/71/97/53/765719753.db2.gz JRMGTWZUEWBOCC-AWEZNQCLSA-N 1 2 342.399 0.176 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC001016013078 765719758 /nfs/dbraw/zinc/71/97/58/765719758.db2.gz JRMGTWZUEWBOCC-AWEZNQCLSA-N 1 2 342.399 0.176 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3c(C)nnn3CC)C2)nc1 ZINC001016022306 765726275 /nfs/dbraw/zinc/72/62/75/765726275.db2.gz CMUTULKGVQKMPQ-HNNXBMFYSA-N 1 2 338.415 0.987 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3c(C)nnn3CC)C2)nc1 ZINC001016022306 765726282 /nfs/dbraw/zinc/72/62/82/765726282.db2.gz CMUTULKGVQKMPQ-HNNXBMFYSA-N 1 2 338.415 0.987 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(OC)nn3)C2)nc1 ZINC001016025431 765728966 /nfs/dbraw/zinc/72/89/66/765728966.db2.gz XBWXIPXRUHAJDI-AWEZNQCLSA-N 1 2 337.383 0.866 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(OC)nn3)C2)nc1 ZINC001016025431 765728972 /nfs/dbraw/zinc/72/89/72/765728972.db2.gz XBWXIPXRUHAJDI-AWEZNQCLSA-N 1 2 337.383 0.866 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)c1 ZINC001016030938 765733375 /nfs/dbraw/zinc/73/33/75/765733375.db2.gz MRPLQBJGPSFFFI-ZFWWWQNUSA-N 1 2 330.363 0.666 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCC(=O)N3)C2)c1 ZINC001016030938 765733380 /nfs/dbraw/zinc/73/33/80/765733380.db2.gz MRPLQBJGPSFFFI-ZFWWWQNUSA-N 1 2 330.363 0.666 20 30 ECEDLO N#Cc1cccnc1NC[C@@H](O)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001106105445 765762757 /nfs/dbraw/zinc/76/27/57/765762757.db2.gz UMSSYOYWYYHFNA-CHWSQXEVSA-N 1 2 340.387 0.685 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001017746177 768343836 /nfs/dbraw/zinc/34/38/36/768343836.db2.gz QKEUEQNPGVGYDX-BPLDGKMQSA-N 1 2 341.415 0.958 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCC[C@H](C(N)=O)C1)CCO2 ZINC001053452717 766159232 /nfs/dbraw/zinc/15/92/32/766159232.db2.gz CBYPBOSCMUNEAW-GJZGRUSLSA-N 1 2 335.448 0.767 20 30 ECEDLO C#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001017766806 768355024 /nfs/dbraw/zinc/35/50/24/768355024.db2.gz DNYQWKNWSIOMQT-FGTMMUONSA-N 1 2 331.460 0.796 20 30 ECEDLO C#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001017766806 768355032 /nfs/dbraw/zinc/35/50/32/768355032.db2.gz DNYQWKNWSIOMQT-FGTMMUONSA-N 1 2 331.460 0.796 20 30 ECEDLO C=C1CCC(C(=O)NCC2(O)CN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001045768687 766345039 /nfs/dbraw/zinc/34/50/39/766345039.db2.gz NCRQFYXGFWKPAJ-UHFFFAOYSA-N 1 2 332.404 0.319 20 30 ECEDLO N#Cc1nccc(N[C@@H]2CCCC[C@H]2NC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001045781548 766362663 /nfs/dbraw/zinc/36/26/63/766362663.db2.gz AQSYQMGFOFKGLJ-CHWSQXEVSA-N 1 2 325.376 0.575 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NCC1(O)CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001045785915 766370160 /nfs/dbraw/zinc/37/01/60/766370160.db2.gz VUMCLRCCCSPWPZ-INIZCTEOSA-N 1 2 334.420 0.565 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)ncn3)C[C@@H]2O)cc1 ZINC001083691556 766371910 /nfs/dbraw/zinc/37/19/10/766371910.db2.gz VFKAKSFEKPPRPF-MSOLQXFVSA-N 1 2 336.395 0.741 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)ncn3)C[C@@H]2O)cc1 ZINC001083691556 766371917 /nfs/dbraw/zinc/37/19/17/766371917.db2.gz VFKAKSFEKPPRPF-MSOLQXFVSA-N 1 2 336.395 0.741 20 30 ECEDLO CO[C@@H]1C[N@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212251165 766431735 /nfs/dbraw/zinc/43/17/35/766431735.db2.gz RHOWOCSUKLUJLH-HUUCEWRRSA-N 1 2 336.823 0.765 20 30 ECEDLO CO[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212251165 766431741 /nfs/dbraw/zinc/43/17/41/766431741.db2.gz RHOWOCSUKLUJLH-HUUCEWRRSA-N 1 2 336.823 0.765 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1COCCN1CC)O2 ZINC001053620577 766455416 /nfs/dbraw/zinc/45/54/16/766455416.db2.gz PIWKODLEBXQBKM-JKSUJKDBSA-N 1 2 337.464 0.633 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCc2sc(C[NH2+][C@@H]3CCCNC3=O)nc2C1 ZINC001089273468 766464685 /nfs/dbraw/zinc/46/46/85/766464685.db2.gz CWGZRALFDYAKQX-GHMZBOCLSA-N 1 2 347.444 0.556 20 30 ECEDLO N#Cc1nc(NC[C@H](O)CNC(=O)Cc2c[nH]c[nH+]2)sc1Cl ZINC001106130198 766469965 /nfs/dbraw/zinc/46/99/65/766469965.db2.gz ROGRTHQVINTPHO-MRVPVSSYSA-N 1 2 340.796 0.523 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cc(=O)c(OC)c[nH]1)O2 ZINC001053627989 766472705 /nfs/dbraw/zinc/47/27/05/766472705.db2.gz ACANSVHYFFBHKH-ZDUSSCGKSA-N 1 2 347.415 0.923 20 30 ECEDLO C#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCc3[nH+]c[nH]c31)O2 ZINC001053661967 766533565 /nfs/dbraw/zinc/53/35/65/766533565.db2.gz BHYYPHWCFSXPGQ-KBPBESRZSA-N 1 2 328.416 0.812 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCc3n[nH]nc3C1)O2 ZINC001053686053 766586433 /nfs/dbraw/zinc/58/64/33/766586433.db2.gz FQRKITUKKIRKIT-ZIAGYGMSSA-N 1 2 345.447 0.835 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1nc3nccc(C)n3n1)O2 ZINC001053694602 766604999 /nfs/dbraw/zinc/60/49/99/766604999.db2.gz VBZRQQBFWMHYKT-ZDUSSCGKSA-N 1 2 342.403 0.582 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccc(=O)n(C)n1)O2 ZINC001053696153 766608488 /nfs/dbraw/zinc/60/84/88/766608488.db2.gz AQSLCNMNKBXYGS-ZDUSSCGKSA-N 1 2 332.404 0.320 20 30 ECEDLO C[C@@H](CC(=O)NC[C@H](O)CNc1ccc(C#N)nn1)n1cc[nH+]c1 ZINC001106132259 766608709 /nfs/dbraw/zinc/60/87/09/766608709.db2.gz XBEJBQIPUGPLJR-WCQYABFASA-N 1 2 329.364 0.085 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)O2 ZINC001053698474 766613438 /nfs/dbraw/zinc/61/34/38/766613438.db2.gz MGABTOGFAUQUKN-ZDUSSCGKSA-N 1 2 332.404 0.653 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CN(CC)CCO1)O2 ZINC001053699355 766617262 /nfs/dbraw/zinc/61/72/62/766617262.db2.gz DFXLEENMCDQQAP-HZPDHXFCSA-N 1 2 337.464 0.633 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2-c2cnn(C)c2)C1 ZINC001077558491 766618676 /nfs/dbraw/zinc/61/86/76/766618676.db2.gz AEQCEPNKLIMDAD-HUUCEWRRSA-N 1 2 328.372 0.478 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2-c2cnn(C)c2)C1 ZINC001077558491 766618681 /nfs/dbraw/zinc/61/86/81/766618681.db2.gz AEQCEPNKLIMDAD-HUUCEWRRSA-N 1 2 328.372 0.478 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccn(C)n3)C2)nn1 ZINC001098779127 766625133 /nfs/dbraw/zinc/62/51/33/766625133.db2.gz DYVAFOOKHRZGID-CQSZACIVSA-N 1 2 327.392 0.212 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001212262489 766688798 /nfs/dbraw/zinc/68/87/98/766688798.db2.gz PWBCFUPQUMNEBN-QZTJIDSGSA-N 1 2 341.411 0.914 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1OC ZINC001212262489 766688802 /nfs/dbraw/zinc/68/88/02/766688802.db2.gz PWBCFUPQUMNEBN-QZTJIDSGSA-N 1 2 341.411 0.914 20 30 ECEDLO Cn1ncc(C2CC2)c1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046033382 766708934 /nfs/dbraw/zinc/70/89/34/766708934.db2.gz FGTWTMKOILVPDR-HNNXBMFYSA-N 1 2 342.447 0.653 20 30 ECEDLO CCc1nnc(C)cc1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046042293 766755320 /nfs/dbraw/zinc/75/53/20/766755320.db2.gz XZUMDPYNXXPKGU-OAHLLOKOSA-N 1 2 342.447 0.703 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@]34CCC[C@H]3OCC4)CC2)C1 ZINC001046044086 766765247 /nfs/dbraw/zinc/76/52/47/766765247.db2.gz ORFGEDUWASEPEK-NUJGCVRESA-N 1 2 332.448 0.688 20 30 ECEDLO CCCc1cc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)[nH]n1 ZINC001046049983 766785662 /nfs/dbraw/zinc/78/56/62/766785662.db2.gz BKKLGEZMLHPKID-HNNXBMFYSA-N 1 2 330.436 0.718 20 30 ECEDLO COc1ccnc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)c1 ZINC001046050081 766785943 /nfs/dbraw/zinc/78/59/43/766785943.db2.gz DQSLXZMDELUBEI-AWEZNQCLSA-N 1 2 329.404 0.446 20 30 ECEDLO COc1cc(CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)ccn1 ZINC001046064412 766843767 /nfs/dbraw/zinc/84/37/67/766843767.db2.gz MXRRUNMJDCVJPF-INIZCTEOSA-N 1 2 343.431 0.375 20 30 ECEDLO CCCn1cc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)nn1 ZINC001046075393 766895016 /nfs/dbraw/zinc/89/50/16/766895016.db2.gz RYWRXIPLZSJCRD-CQSZACIVSA-N 1 2 331.424 0.044 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cnn(CC4CC4)c3)CC2)C1 ZINC001046076721 766905674 /nfs/dbraw/zinc/90/56/74/766905674.db2.gz IFRUAOSPMWHJHD-QGZVFWFLSA-N 1 2 342.447 0.649 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@H]3Cc4cccnc4C3)CC2)C1 ZINC001046082495 766921919 /nfs/dbraw/zinc/92/19/19/766921919.db2.gz XHGFBGYUJZDIOF-DLBZAZTESA-N 1 2 339.443 0.538 20 30 ECEDLO CN(CC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1)c1ccccc1 ZINC001046084698 766924593 /nfs/dbraw/zinc/92/45/93/766924593.db2.gz GMDNFXBEXVPMCX-SFHVURJKSA-N 1 2 341.459 0.865 20 30 ECEDLO C=CCn1cccc1C(=O)NCC1C[NH+](CC(=O)N2CCOCC2)C1 ZINC001031733109 766930793 /nfs/dbraw/zinc/93/07/93/766930793.db2.gz MIDIPYHSDTZJPM-UHFFFAOYSA-N 1 2 346.431 0.195 20 30 ECEDLO Cn1ncc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)c1C1CC1 ZINC001046090594 766932331 /nfs/dbraw/zinc/93/23/31/766932331.db2.gz ZDZJFFVAISOFJJ-OAHLLOKOSA-N 1 2 342.447 0.653 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(NC(=O)c3snnc3C)C2)C1=O ZINC001046132455 766965488 /nfs/dbraw/zinc/96/54/88/766965488.db2.gz GWXORRSRDMZKEW-WBMJQRKESA-N 1 2 349.460 0.828 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(NC(=O)c3snnc3C)C2)C1=O ZINC001046132455 766965494 /nfs/dbraw/zinc/96/54/94/766965494.db2.gz GWXORRSRDMZKEW-WBMJQRKESA-N 1 2 349.460 0.828 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CC23CC[NH+](Cc2nc(=O)n(C)[nH]2)CC3)C1 ZINC001016811514 766969215 /nfs/dbraw/zinc/96/92/15/766969215.db2.gz DLTNOFAELXSIFV-CYBMUJFWSA-N 1 2 345.447 0.935 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1nc3ncc(C)cn3n1)CO2 ZINC001053839177 766985706 /nfs/dbraw/zinc/98/57/06/766985706.db2.gz XVROQSHQJMBFSG-ZDUSSCGKSA-N 1 2 340.387 0.029 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCn3cncc3C1)CO2 ZINC001053850846 767017013 /nfs/dbraw/zinc/01/70/13/767017013.db2.gz GMTBMKYIBXDIMP-HUUCEWRRSA-N 1 2 328.416 0.428 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CCC(C(N)=O)CC1)CO2 ZINC001053851124 767019149 /nfs/dbraw/zinc/01/91/49/767019149.db2.gz LEICSDCIATVUSQ-YMAMQOFZSA-N 1 2 333.432 0.261 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3cncn3C1)CO2 ZINC001053852485 767023683 /nfs/dbraw/zinc/02/36/83/767023683.db2.gz LZRSRDCAHZTVLH-HUUCEWRRSA-N 1 2 328.416 0.428 20 30 ECEDLO CC#CCN1CC2(C1)C[C@H](NC(=O)[C@@H]1CCn3cc[nH+]c3C1)CO2 ZINC001053852674 767024333 /nfs/dbraw/zinc/02/43/33/767024333.db2.gz ORKBPUBYAUQKIX-CABCVRRESA-N 1 2 328.416 0.428 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc3[nH]c(=O)[nH]c3c1)CO2 ZINC001053854279 767029252 /nfs/dbraw/zinc/02/92/52/767029252.db2.gz VDNWQXVEDLMYMC-LBPRGKRZSA-N 1 2 341.371 0.260 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC23CC[NH+](Cc2cnon2)CC3)nn1 ZINC001016867734 767067033 /nfs/dbraw/zinc/06/70/33/767067033.db2.gz LWVMLOKPMKELMR-AWEZNQCLSA-N 1 2 343.391 0.632 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)CO2 ZINC001053865409 767071772 /nfs/dbraw/zinc/07/17/72/767071772.db2.gz YGDXOEZNMPUJEU-KGLIPLIRSA-N 1 2 336.436 0.313 20 30 ECEDLO Cn1cnnc1C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 ZINC001042018160 782607608 /nfs/dbraw/zinc/60/76/08/782607608.db2.gz HEJOFMJZANZCII-IUODEOHRSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1cnnc1C[N@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 ZINC001042018160 782607611 /nfs/dbraw/zinc/60/76/11/782607611.db2.gz HEJOFMJZANZCII-IUODEOHRSA-N 1 2 339.403 0.751 20 30 ECEDLO CN1C[C@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)s2)NC1=O ZINC001038590708 767174712 /nfs/dbraw/zinc/17/47/12/767174712.db2.gz BFBHFSHJPNBSHK-ZWNOBZJWSA-N 1 2 333.417 0.334 20 30 ECEDLO CN1C[C@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)NC1=O ZINC001038590708 767174714 /nfs/dbraw/zinc/17/47/14/767174714.db2.gz BFBHFSHJPNBSHK-ZWNOBZJWSA-N 1 2 333.417 0.334 20 30 ECEDLO CCc1ccnc(C(=O)N[C@@H]2C[N@H+](CC#CCOC)C[C@H]2OC)c1 ZINC001212309415 767200280 /nfs/dbraw/zinc/20/02/80/767200280.db2.gz UNFIABXSXYNKII-IAGOWNOFSA-N 1 2 331.416 0.723 20 30 ECEDLO CCc1ccnc(C(=O)N[C@@H]2C[N@@H+](CC#CCOC)C[C@H]2OC)c1 ZINC001212309415 767200282 /nfs/dbraw/zinc/20/02/82/767200282.db2.gz UNFIABXSXYNKII-IAGOWNOFSA-N 1 2 331.416 0.723 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC(C)(C)CC)[C@H](OC)C1 ZINC001212329896 767227452 /nfs/dbraw/zinc/22/74/52/767227452.db2.gz HZHJCPOEKNWXKR-RRFJBIMHSA-N 1 2 337.464 0.766 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC(C)(C)CC)[C@H](OC)C1 ZINC001212329896 767227454 /nfs/dbraw/zinc/22/74/54/767227454.db2.gz HZHJCPOEKNWXKR-RRFJBIMHSA-N 1 2 337.464 0.766 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cccc(-n3cccn3)n2)[C@@H](O)C1 ZINC001083767499 767246425 /nfs/dbraw/zinc/24/64/25/767246425.db2.gz HFYPJKSGLGOFNY-CABCVRRESA-N 1 2 325.372 0.066 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(-n3cccn3)n2)[C@@H](O)C1 ZINC001083767499 767246428 /nfs/dbraw/zinc/24/64/28/767246428.db2.gz HFYPJKSGLGOFNY-CABCVRRESA-N 1 2 325.372 0.066 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCc3nn(C)cc31)CO2 ZINC001053907438 767324149 /nfs/dbraw/zinc/32/41/49/767324149.db2.gz WMWIGNASEZOWOC-CABCVRRESA-N 1 2 342.443 0.823 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3nnn(C)c3C1)CO2 ZINC001053908724 767330887 /nfs/dbraw/zinc/33/08/87/767330887.db2.gz ZPESYMWPRASYAS-KGLIPLIRSA-N 1 2 345.447 0.456 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)C2CC(NC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC001016998964 767453459 /nfs/dbraw/zinc/45/34/59/767453459.db2.gz YLMOIQROZJKPBZ-UHFFFAOYSA-N 1 2 337.383 0.748 20 30 ECEDLO C=CCCOCC(=O)NCC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060463900 767493364 /nfs/dbraw/zinc/49/33/64/767493364.db2.gz JNCZXMLRKLCNBU-AWEZNQCLSA-N 1 2 334.420 0.900 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCN(C(=O)CC)C1)CO2 ZINC001053976568 767507387 /nfs/dbraw/zinc/50/73/87/767507387.db2.gz VZDWXJGHTKACGG-GJZGRUSLSA-N 1 2 333.432 0.228 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ncoc1-c1ccon1)CO2 ZINC001053983565 767528903 /nfs/dbraw/zinc/52/89/03/767528903.db2.gz CTGKMIHGBXZVKM-LBPRGKRZSA-N 1 2 342.355 0.926 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1nc(C)ccc1=O)CO2 ZINC001053987847 767539932 /nfs/dbraw/zinc/53/99/32/767539932.db2.gz UUIDDWPTBHBSHU-CQSZACIVSA-N 1 2 332.404 0.087 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccnc1N(C)C)CO2 ZINC001054005517 767574253 /nfs/dbraw/zinc/57/42/53/767574253.db2.gz FAENEYMABVUUTR-CQSZACIVSA-N 1 2 328.416 0.744 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccnc1C(N)=O)CO2 ZINC001054014763 767602064 /nfs/dbraw/zinc/60/20/64/767602064.db2.gz QVYAURIHXLSUDL-GFCCVEGCSA-N 1 2 330.388 0.330 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C(N)=O)ccn1)CO2 ZINC001054027517 767630067 /nfs/dbraw/zinc/63/00/67/767630067.db2.gz PIBQPTRBVZZEGF-CYBMUJFWSA-N 1 2 330.388 0.330 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1C ZINC001054048524 767646574 /nfs/dbraw/zinc/64/65/74/767646574.db2.gz DOOZNERTESTUNW-SJORKVTESA-N 1 2 325.412 0.784 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1C ZINC001054048524 767646577 /nfs/dbraw/zinc/64/65/77/767646577.db2.gz DOOZNERTESTUNW-SJORKVTESA-N 1 2 325.412 0.784 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cccc(C(N)=O)n1 ZINC001054061103 767658340 /nfs/dbraw/zinc/65/83/40/767658340.db2.gz ULBNCZFRGKQLAT-INIZCTEOSA-N 1 2 348.406 0.970 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cccc(C(N)=O)n1 ZINC001054061103 767658346 /nfs/dbraw/zinc/65/83/46/767658346.db2.gz ULBNCZFRGKQLAT-INIZCTEOSA-N 1 2 348.406 0.970 20 30 ECEDLO Cc1nsc(NC[C@@H](O)CNC(=O)CCc2[nH+]ccn2C)c1C#N ZINC001106185415 767778142 /nfs/dbraw/zinc/77/81/42/767778142.db2.gz YQLXNYJNUUWGBB-NSHDSACASA-N 1 2 348.432 0.579 20 30 ECEDLO C=CCOCC(=O)NCC1(O)CN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001042039685 782655401 /nfs/dbraw/zinc/65/54/01/782655401.db2.gz HLHYXSYMMVANMH-UHFFFAOYSA-N 1 2 347.415 0.513 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn2nc(C)cc2[nH]c1=O ZINC001018067185 768682153 /nfs/dbraw/zinc/68/21/53/768682153.db2.gz RHVRLDOFFLGTIM-BETUJISGSA-N 1 2 325.372 0.253 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn2nc(C)cc2[nH]c1=O ZINC001018067185 768682156 /nfs/dbraw/zinc/68/21/56/768682156.db2.gz RHVRLDOFFLGTIM-BETUJISGSA-N 1 2 325.372 0.253 20 30 ECEDLO C[C@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001018085929 768701994 /nfs/dbraw/zinc/70/19/94/768701994.db2.gz DNKADRLDURQWPE-WCQYABFASA-N 1 2 340.387 0.961 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001055340750 768798428 /nfs/dbraw/zinc/79/84/28/768798428.db2.gz WAURNOJFPRFPNW-OAGGEKHMSA-N 1 2 344.415 0.228 20 30 ECEDLO N#Cc1ccc(N[C@@H]2CC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]32)nn1 ZINC001060558509 768821944 /nfs/dbraw/zinc/82/19/44/768821944.db2.gz ZPIMPWQNTPIRMC-TUKIKUTGSA-N 1 2 337.387 0.963 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CC34CCOCC4)C2)nn1 ZINC001098795733 769341003 /nfs/dbraw/zinc/34/10/03/769341003.db2.gz DQJHFTBOBSXLBL-HZPDHXFCSA-N 1 2 343.431 0.591 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(C)=O)C[C@H]1c1c[nH+]cn1C ZINC000993570997 769341187 /nfs/dbraw/zinc/34/11/87/769341187.db2.gz JPMJIXANEAEZHQ-ANQUJSFKSA-N 1 2 346.431 0.832 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)c2ccon2)C1 ZINC000993632950 769445548 /nfs/dbraw/zinc/44/55/48/769445548.db2.gz SCTKOWGXEQYLRM-DMDPSCGWSA-N 1 2 342.359 0.292 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2nc(CC3CC3)no2)C1 ZINC001078358708 782769749 /nfs/dbraw/zinc/76/97/49/782769749.db2.gz VADMYBSSXYSTQZ-JSGCOSHPSA-N 1 2 347.419 0.889 20 30 ECEDLO Cc1cc(C#N)nc(N2CCN(C(=O)CCc3c[nH+]cn3C)CC2)n1 ZINC001055876068 770060211 /nfs/dbraw/zinc/06/02/11/770060211.db2.gz WWROQMCXFAGMBM-UHFFFAOYSA-N 1 2 339.403 0.672 20 30 ECEDLO C#CCCCC(=O)N[C@]1(CO)CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001055913316 770193856 /nfs/dbraw/zinc/19/38/56/770193856.db2.gz ZHQRNIWVQXXXNU-GOSISDBHSA-N 1 2 346.431 0.546 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=O)NC3CC3)[C@@H]2C)cn1 ZINC000994247917 770422331 /nfs/dbraw/zinc/42/23/31/770422331.db2.gz HALTYUSLELUSQG-DYVFJYSZSA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NC3CC3)[C@@H]2C)cn1 ZINC000994247917 770422336 /nfs/dbraw/zinc/42/23/36/770422336.db2.gz HALTYUSLELUSQG-DYVFJYSZSA-N 1 2 340.427 0.924 20 30 ECEDLO C=CCn1cccc1C(=O)N1CC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001018972783 770437477 /nfs/dbraw/zinc/43/74/77/770437477.db2.gz PAGHZNBRAQEBOF-LBPRGKRZSA-N 1 2 330.392 0.100 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2cn(C(C)C)nn2)C1 ZINC001018986169 770485657 /nfs/dbraw/zinc/48/56/57/770485657.db2.gz TXQAXFXPEUYDIL-RDJZCZTQSA-N 1 2 344.463 0.647 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2cn(C(C)C)nn2)C1 ZINC001018986169 770485662 /nfs/dbraw/zinc/48/56/62/770485662.db2.gz TXQAXFXPEUYDIL-RDJZCZTQSA-N 1 2 344.463 0.647 20 30 ECEDLO C[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001042157711 782867174 /nfs/dbraw/zinc/86/71/74/782867174.db2.gz CZOLPBFKCPGERC-ZWNOBZJWSA-N 1 2 328.351 0.999 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](NC(=O)CC2=CCOCC2)[C@@H](O)C1 ZINC001083754417 770906841 /nfs/dbraw/zinc/90/68/41/770906841.db2.gz QGHZXARKUSKGIO-MSOLQXFVSA-N 1 2 341.411 0.956 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)CC2=CCOCC2)[C@@H](O)C1 ZINC001083754417 770906851 /nfs/dbraw/zinc/90/68/51/770906851.db2.gz QGHZXARKUSKGIO-MSOLQXFVSA-N 1 2 341.411 0.956 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCC3(CN(C(=O)Cn4cc[nH+]c4)C3)C2)[nH]1 ZINC001019155763 770949671 /nfs/dbraw/zinc/94/96/71/770949671.db2.gz XZTXXPOAHOLKIY-UHFFFAOYSA-N 1 2 338.371 0.458 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC3(CN(C(=O)Cn4cc[nH+]c4)C3)C2)c1 ZINC001019156803 770953547 /nfs/dbraw/zinc/95/35/47/770953547.db2.gz SWWRFYJBYDVNRH-UHFFFAOYSA-N 1 2 349.394 0.634 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC[C@@](CO)(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001056158765 770957798 /nfs/dbraw/zinc/95/77/98/770957798.db2.gz BJSLXBUKDNENMU-QGZVFWFLSA-N 1 2 334.420 0.634 20 30 ECEDLO Cc1ccc(C#N)c(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2c[nH+]cn2C)n1 ZINC001056254613 771047331 /nfs/dbraw/zinc/04/73/31/771047331.db2.gz RNTLHGSMSPPCBU-QLPKVWCKSA-N 1 2 336.399 0.789 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)c1 ZINC000994569264 771139892 /nfs/dbraw/zinc/13/98/92/771139892.db2.gz KPNCZCAPNZCSMY-CQSZACIVSA-N 1 2 349.394 0.463 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CCC3(CN(C(=O)Cc4[nH]cc[nH+]4)C3)C2)c1 ZINC001019333133 771169897 /nfs/dbraw/zinc/16/98/97/771169897.db2.gz NFYKRUSACVEYCE-UHFFFAOYSA-N 1 2 338.371 0.527 20 30 ECEDLO N#Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)nn1 ZINC001056400053 771224158 /nfs/dbraw/zinc/22/41/58/771224158.db2.gz USWLNUPDWHDZPW-FOCJUVANSA-N 1 2 349.398 0.742 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cnc(C#N)cn3)C[C@H]21 ZINC001056410684 771242163 /nfs/dbraw/zinc/24/21/63/771242163.db2.gz PEMGMBZNPVULSN-MAKQCAJESA-N 1 2 349.398 0.436 20 30 ECEDLO N#Cc1cc(C(=O)N2CCC3(CN(C(=O)Cc4c[nH+]c[nH]4)C3)C2)c[nH]1 ZINC001019494321 771360196 /nfs/dbraw/zinc/36/01/96/771360196.db2.gz HJJVDTYCBFUHRA-UHFFFAOYSA-N 1 2 338.371 0.527 20 30 ECEDLO COc1nccc(C[NH+]2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001031602975 771388564 /nfs/dbraw/zinc/38/85/64/771388564.db2.gz AKJBIVUOGHXNFY-UHFFFAOYSA-N 1 2 326.360 0.547 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056574801 771396454 /nfs/dbraw/zinc/39/64/54/771396454.db2.gz NPLDCHOCKKKTHA-HOTGVXAUSA-N 1 2 344.415 0.584 20 30 ECEDLO CN(CCOCCNc1nccnc1C#N)C(=O)CCc1c[nH]c[nH+]1 ZINC001127510852 771401377 /nfs/dbraw/zinc/40/13/77/771401377.db2.gz CGVSQGQQZXAOJU-UHFFFAOYSA-N 1 2 343.391 0.591 20 30 ECEDLO CN(CCOCCNc1nccnc1C#N)C(=O)CCc1c[nH+]c[nH]1 ZINC001127510852 771401381 /nfs/dbraw/zinc/40/13/81/771401381.db2.gz CGVSQGQQZXAOJU-UHFFFAOYSA-N 1 2 343.391 0.591 20 30 ECEDLO N#Cc1ccc(N2CCCO[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)nc1 ZINC001089558183 771481673 /nfs/dbraw/zinc/48/16/73/771481673.db2.gz KOSRWJFSMSAWLW-HNNXBMFYSA-N 1 2 340.387 0.631 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001056666150 771488903 /nfs/dbraw/zinc/48/89/03/771488903.db2.gz FWFADSGKPSWIPJ-LSDHHAIUSA-N 1 2 344.415 0.442 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3cc(OC)no3)C2)C1=O ZINC001007163835 771492182 /nfs/dbraw/zinc/49/21/82/771492182.db2.gz ABSLJQCRSKZGEY-QWHCGFSZSA-N 1 2 348.403 0.664 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3cc(OC)no3)C2)C1=O ZINC001007163835 771492187 /nfs/dbraw/zinc/49/21/87/771492187.db2.gz ABSLJQCRSKZGEY-QWHCGFSZSA-N 1 2 348.403 0.664 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1C[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001056725118 771559593 /nfs/dbraw/zinc/55/95/93/771559593.db2.gz CORAMVNZJZHDLP-OFQRWUPVSA-N 1 2 344.415 0.440 20 30 ECEDLO N#Cc1ccc(N[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)nn1 ZINC001056724940 771559939 /nfs/dbraw/zinc/55/99/39/771559939.db2.gz TZEMNDGXSHJASD-TZMCWYRMSA-N 1 2 337.387 0.820 20 30 ECEDLO N#Cc1cnc(N[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)cn1 ZINC001056724945 771559974 /nfs/dbraw/zinc/55/99/74/771559974.db2.gz UJGDDDRBXQNWFO-CHWSQXEVSA-N 1 2 337.387 0.820 20 30 ECEDLO CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001056952341 771857717 /nfs/dbraw/zinc/85/77/17/771857717.db2.gz GPCSCFZVWJYGSN-HNNXBMFYSA-N 1 2 339.403 0.752 20 30 ECEDLO CN(c1nccnc1C#N)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001056998493 771926613 /nfs/dbraw/zinc/92/66/13/771926613.db2.gz YWUCRCCMOCXAKG-CYBMUJFWSA-N 1 2 325.376 0.672 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001019907810 772007799 /nfs/dbraw/zinc/00/77/99/772007799.db2.gz IIXQITBVJXHMCW-KGLIPLIRSA-N 1 2 346.431 0.993 20 30 ECEDLO O=C(C#CC1CC1)N1CCO[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001019913853 772017213 /nfs/dbraw/zinc/01/72/13/772017213.db2.gz MEIBCGUUEKEBJH-HUUCEWRRSA-N 1 2 342.399 0.194 20 30 ECEDLO C=CCCC(=O)N(CCO)CCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001057174237 772215177 /nfs/dbraw/zinc/21/51/77/772215177.db2.gz WFYCZORCOHAJEG-KRWDZBQOSA-N 1 2 348.447 0.588 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCN(c2ccc(C#N)nn2)CC1 ZINC001057245547 772336081 /nfs/dbraw/zinc/33/60/81/772336081.db2.gz IACGPPWKGWVRKQ-ZDUSSCGKSA-N 1 2 339.403 0.989 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCN(c2ccc(C#N)nn2)CC1 ZINC001057245547 772336090 /nfs/dbraw/zinc/33/60/90/772336090.db2.gz IACGPPWKGWVRKQ-ZDUSSCGKSA-N 1 2 339.403 0.989 20 30 ECEDLO N#Cc1ccc(N2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)nn1 ZINC001057252686 772347541 /nfs/dbraw/zinc/34/75/41/772347541.db2.gz HQBJMNNEDGXBJP-ZIAGYGMSSA-N 1 2 337.387 0.914 20 30 ECEDLO N#Cc1ccc(N2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)nn1 ZINC001057252686 772347546 /nfs/dbraw/zinc/34/75/46/772347546.db2.gz HQBJMNNEDGXBJP-ZIAGYGMSSA-N 1 2 337.387 0.914 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC(Nc2cncc(C#N)n2)CC1 ZINC001057348395 772499146 /nfs/dbraw/zinc/49/91/46/772499146.db2.gz OMHXLHHQKBLWIJ-UHFFFAOYSA-N 1 2 325.376 0.727 20 30 ECEDLO C#CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001057446873 772624046 /nfs/dbraw/zinc/62/40/46/772624046.db2.gz LPYWHSNAUOLZQC-HNNXBMFYSA-N 1 2 346.431 0.186 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)CCc1[nH]cc[nH+]1 ZINC001057459248 772645123 /nfs/dbraw/zinc/64/51/23/772645123.db2.gz FNQZLWROZKPAEO-AWEZNQCLSA-N 1 2 336.436 0.882 20 30 ECEDLO C=C[C@H](CC)CC(=O)NCCN(CCO)C(=O)CCc1[nH]cc[nH+]1 ZINC001057459768 772646151 /nfs/dbraw/zinc/64/61/51/772646151.db2.gz NPUSLQZICOUFSA-CQSZACIVSA-N 1 2 336.436 0.882 20 30 ECEDLO CC(C)C#CC(=O)NCCN(CCO)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001057609652 772810643 /nfs/dbraw/zinc/81/06/43/772810643.db2.gz MUPUQYIDDJADDD-HNNXBMFYSA-N 1 2 334.420 0.431 20 30 ECEDLO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001057711744 772936235 /nfs/dbraw/zinc/93/62/35/772936235.db2.gz SXZHNORGJGFYIE-CYBMUJFWSA-N 1 2 336.436 0.738 20 30 ECEDLO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001057711744 772936238 /nfs/dbraw/zinc/93/62/38/772936238.db2.gz SXZHNORGJGFYIE-CYBMUJFWSA-N 1 2 336.436 0.738 20 30 ECEDLO C#CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001057947112 773251622 /nfs/dbraw/zinc/25/16/22/773251622.db2.gz QHJKGYNRWHSOAG-OAHLLOKOSA-N 1 2 346.431 0.186 20 30 ECEDLO CN(C(=O)Cn1cc[nH+]c1)C1CCN(c2cnc(C#N)cn2)CC1 ZINC001058058575 773449843 /nfs/dbraw/zinc/44/98/43/773449843.db2.gz RRHHXBLBPCYTIO-UHFFFAOYSA-N 1 2 325.376 0.672 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NCCN(CCO)C(=O)Cc1c[nH+]cn1C ZINC001058158386 773661383 /nfs/dbraw/zinc/66/13/83/773661383.db2.gz XLVUMEFSEBESAF-KRWDZBQOSA-N 1 2 336.436 0.502 20 30 ECEDLO C#CCCCC(=O)NCCN(CCO)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001058160932 773667826 /nfs/dbraw/zinc/66/78/26/773667826.db2.gz QTHGRPDGHUGDEC-UHFFFAOYSA-N 1 2 334.420 0.428 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCN(c2cnc(C#N)cn2)C1 ZINC001058181835 773719651 /nfs/dbraw/zinc/71/96/51/773719651.db2.gz JILABBXQRLHNSW-LBPRGKRZSA-N 1 2 325.376 0.708 20 30 ECEDLO Cc1nsc(N2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)c1C#N ZINC001058402990 774115193 /nfs/dbraw/zinc/11/51/93/774115193.db2.gz CXIDUZWMGFGZBM-LLVKDONJSA-N 1 2 330.417 0.994 20 30 ECEDLO CC#CCCCC(=O)N(CCO)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001058442473 774188842 /nfs/dbraw/zinc/18/88/42/774188842.db2.gz FTOJMMQEBMYQOI-MRXNPFEDSA-N 1 2 348.447 0.965 20 30 ECEDLO CC#CCCCC(=O)N(CCO)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001058444364 774193408 /nfs/dbraw/zinc/19/34/08/774193408.db2.gz NWEQZRYIZRHTLT-UHFFFAOYSA-N 1 2 334.420 0.473 20 30 ECEDLO CC#CCCCC(=O)N(CCO)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001058444364 774193409 /nfs/dbraw/zinc/19/34/09/774193409.db2.gz NWEQZRYIZRHTLT-UHFFFAOYSA-N 1 2 334.420 0.473 20 30 ECEDLO N#Cc1nccc(N2CC[C@@H](NC(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)n1 ZINC001058481526 774273012 /nfs/dbraw/zinc/27/30/12/774273012.db2.gz UQCLPXHYXXHNEU-CHWSQXEVSA-N 1 2 337.387 0.502 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CCN(c3nccnc3C#N)C2)c[nH+]1 ZINC001058584272 774478168 /nfs/dbraw/zinc/47/81/68/774478168.db2.gz ILOPXUFEZDFMTE-CYBMUJFWSA-N 1 2 339.403 0.983 20 30 ECEDLO C=CCCCC(=O)N(CCO)CCNC(=O)CCc1[nH+]ccn1C ZINC001058624854 774562642 /nfs/dbraw/zinc/56/26/42/774562642.db2.gz LTZWLRTYBIGYIF-UHFFFAOYSA-N 1 2 336.436 0.646 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CCN(c3[nH+]cnc4c3cnn4C)[C@H]2C1 ZINC001044949162 774758421 /nfs/dbraw/zinc/75/84/21/774758421.db2.gz SAACHVWWJFNDNC-OBJOEFQTSA-N 1 2 339.403 0.950 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cn(CC)nn1 ZINC001045074173 774936755 /nfs/dbraw/zinc/93/67/55/774936755.db2.gz XOSZRKNCLDHSAJ-IRXDYDNUSA-N 1 2 344.463 0.476 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H]3CCN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]32)nn1 ZINC001045092413 774962991 /nfs/dbraw/zinc/96/29/91/774962991.db2.gz QUFRJOAYCRRRFT-JSGCOSHPSA-N 1 2 337.387 0.741 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[C@H]2C[NH2+]Cc2nnc(C)o2)nn1 ZINC001045235559 775194489 /nfs/dbraw/zinc/19/44/89/775194489.db2.gz PSGRUDPCJWQWFE-ZDUSSCGKSA-N 1 2 345.407 0.940 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(c2cccc(F)c2C#N)C[C@@H]1O ZINC001044062619 775621130 /nfs/dbraw/zinc/62/11/30/775621130.db2.gz KBLYWSBKQQRNFY-ZBFHGGJFSA-N 1 2 343.362 0.339 20 30 ECEDLO CC#CC[NH+]1CCC(C)(NC(=O)C2CCS(=O)(=O)CC2)CC1 ZINC001045577261 775823373 /nfs/dbraw/zinc/82/33/73/775823373.db2.gz LWLCMKGPIGLBEP-UHFFFAOYSA-N 1 2 326.462 0.805 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2nn(C)c(C)c2Cl)[C@@H](n2ccnn2)C1 ZINC001070042452 790430349 /nfs/dbraw/zinc/43/03/49/790430349.db2.gz NCEJVJHNCLCKQL-NEPJUHHUSA-N 1 2 349.826 0.815 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2nn(C)c(C)c2Cl)[C@@H](n2ccnn2)C1 ZINC001070042452 790430356 /nfs/dbraw/zinc/43/03/56/790430356.db2.gz NCEJVJHNCLCKQL-NEPJUHHUSA-N 1 2 349.826 0.815 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccnc(N(C)C)c2)[C@@H](n2ccnn2)C1 ZINC001070043890 790434280 /nfs/dbraw/zinc/43/42/80/790434280.db2.gz ODICYKRLBPOBFM-CABCVRRESA-N 1 2 339.403 0.028 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccnc(N(C)C)c2)[C@@H](n2ccnn2)C1 ZINC001070043890 790434282 /nfs/dbraw/zinc/43/42/82/790434282.db2.gz ODICYKRLBPOBFM-CABCVRRESA-N 1 2 339.403 0.028 20 30 ECEDLO C#CCCCCCC(=O)NCC1(O)CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001044484870 776347584 /nfs/dbraw/zinc/34/75/84/776347584.db2.gz RSIXTMKDCNCKDW-UHFFFAOYSA-N 1 2 346.431 0.616 20 30 ECEDLO C#CCCCCCC(=O)NCC1(O)CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001044484870 776347590 /nfs/dbraw/zinc/34/75/90/776347590.db2.gz RSIXTMKDCNCKDW-UHFFFAOYSA-N 1 2 346.431 0.616 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)[C@@H](n2ccnn2)C1 ZINC001070047972 790445739 /nfs/dbraw/zinc/44/57/39/790445739.db2.gz RXIBYGBZEAJQDM-ZSXDVEMLSA-N 1 2 347.422 0.839 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)[C@@H](n2ccnn2)C1 ZINC001070047972 790445751 /nfs/dbraw/zinc/44/57/51/790445751.db2.gz RXIBYGBZEAJQDM-ZSXDVEMLSA-N 1 2 347.422 0.839 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2nc(CC)oc2C)[C@@H](n2ccnn2)C1 ZINC001070048480 790446551 /nfs/dbraw/zinc/44/65/51/790446551.db2.gz TXLLBSJDDHFTDW-KGLIPLIRSA-N 1 2 342.403 0.816 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2nc(CC)oc2C)[C@@H](n2ccnn2)C1 ZINC001070048480 790446554 /nfs/dbraw/zinc/44/65/54/790446554.db2.gz TXLLBSJDDHFTDW-KGLIPLIRSA-N 1 2 342.403 0.816 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001079793065 776879180 /nfs/dbraw/zinc/87/91/80/776879180.db2.gz QDXVDCDYHDVCCU-LSDHHAIUSA-N 1 2 346.431 0.932 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnn(C(C)C)c2C)[C@@H](n2ccnn2)C1 ZINC001070071940 790508053 /nfs/dbraw/zinc/50/80/53/790508053.db2.gz RRGJLXRCSLVUEX-CVEARBPZSA-N 1 2 341.419 0.652 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(C(C)C)c2C)[C@@H](n2ccnn2)C1 ZINC001070071940 790508060 /nfs/dbraw/zinc/50/80/60/790508060.db2.gz RRGJLXRCSLVUEX-CVEARBPZSA-N 1 2 341.419 0.652 20 30 ECEDLO CCN(C(=O)Cc1c[nH+]cn1C)C1CN(C(=O)CSCC#N)C1 ZINC001080139879 777448416 /nfs/dbraw/zinc/44/84/16/777448416.db2.gz BBJBRXQNJHUTKY-UHFFFAOYSA-N 1 2 335.433 0.279 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001080144383 777461496 /nfs/dbraw/zinc/46/14/96/777461496.db2.gz YNPMJCQDKSRWFD-CYBMUJFWSA-N 1 2 346.431 0.785 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC(N(CC)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001080198722 777542221 /nfs/dbraw/zinc/54/22/21/777542221.db2.gz VFNDIGXDIVDZOE-KRWDZBQOSA-N 1 2 334.420 0.647 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001043228986 778013707 /nfs/dbraw/zinc/01/37/07/778013707.db2.gz XVBKUSUCJRJJLX-UONOGXRCSA-N 1 2 348.447 0.880 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001043228986 778013713 /nfs/dbraw/zinc/01/37/13/778013713.db2.gz XVBKUSUCJRJJLX-UONOGXRCSA-N 1 2 348.447 0.880 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2C)nn1 ZINC001080586027 778094960 /nfs/dbraw/zinc/09/49/60/778094960.db2.gz YDAQXRMTBUTUPI-TZMCWYRMSA-N 1 2 346.435 0.183 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2C)nn1 ZINC001080586027 778094972 /nfs/dbraw/zinc/09/49/72/778094972.db2.gz YDAQXRMTBUTUPI-TZMCWYRMSA-N 1 2 346.435 0.183 20 30 ECEDLO C=C(C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001043319617 778152225 /nfs/dbraw/zinc/15/22/25/778152225.db2.gz HYVSESCDGMYFMJ-AWEZNQCLSA-N 1 2 346.431 0.491 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cccs2)C1 ZINC001043648639 778663667 /nfs/dbraw/zinc/66/36/67/778663667.db2.gz GXVBUBCDVXRZAK-ZDUSSCGKSA-N 1 2 347.440 0.149 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cccs2)C1 ZINC001043648639 778663669 /nfs/dbraw/zinc/66/36/69/778663669.db2.gz GXVBUBCDVXRZAK-ZDUSSCGKSA-N 1 2 347.440 0.149 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CC=CCC2)C1 ZINC001043649535 778666650 /nfs/dbraw/zinc/66/66/50/778666650.db2.gz NRMLQSDNZUJDNR-CVEARBPZSA-N 1 2 345.443 0.130 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CC=CCC2)C1 ZINC001043649535 778666656 /nfs/dbraw/zinc/66/66/56/778666656.db2.gz NRMLQSDNZUJDNR-CVEARBPZSA-N 1 2 345.443 0.130 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001043671441 778695378 /nfs/dbraw/zinc/69/53/78/778695378.db2.gz NHVVJTVMYGYCAA-CHWSQXEVSA-N 1 2 344.415 0.559 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001043671441 778695385 /nfs/dbraw/zinc/69/53/85/778695385.db2.gz NHVVJTVMYGYCAA-CHWSQXEVSA-N 1 2 344.415 0.559 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001043673135 778698907 /nfs/dbraw/zinc/69/89/07/778698907.db2.gz DYSDDURZNUQODK-CHWSQXEVSA-N 1 2 346.431 0.805 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001043673135 778698912 /nfs/dbraw/zinc/69/89/12/778698912.db2.gz DYSDDURZNUQODK-CHWSQXEVSA-N 1 2 346.431 0.805 20 30 ECEDLO C=C1CCC(C(=O)N2CC(O)(CNC(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001043711805 778759547 /nfs/dbraw/zinc/75/95/47/778759547.db2.gz RVHULQUQOQBNBN-UHFFFAOYSA-N 1 2 332.404 0.319 20 30 ECEDLO Cn1nnc(C[NH2+][C@@H]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)C23CCC3)n1 ZINC001078595840 780189182 /nfs/dbraw/zinc/18/91/82/780189182.db2.gz CPPJXQFVTBTJHZ-CHWSQXEVSA-N 1 2 340.391 0.241 20 30 ECEDLO CCn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2n2ccnn2)n1 ZINC001070160840 790790302 /nfs/dbraw/zinc/79/03/02/790790302.db2.gz IEQKFFIVTLKBRN-CFVMTHIKSA-N 1 2 342.407 0.196 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H](C)CCNC(=O)Cc2c[nH]c[nH+]2)nn1 ZINC001078757879 780452484 /nfs/dbraw/zinc/45/24/84/780452484.db2.gz HTBSFXKKTXIZJY-LBPRGKRZSA-N 1 2 345.407 0.445 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cn[nH]n2)C1 ZINC001079138294 780802302 /nfs/dbraw/zinc/80/23/02/780802302.db2.gz XSFPUEQWYQKWQP-IAGOWNOFSA-N 1 2 339.399 0.516 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2cn[nH]n2)C1 ZINC001079138294 780802307 /nfs/dbraw/zinc/80/23/07/780802307.db2.gz XSFPUEQWYQKWQP-IAGOWNOFSA-N 1 2 339.399 0.516 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[NH+](CCCCCNC(=O)c2cn[nH]n2)CC1 ZINC001079161827 780838589 /nfs/dbraw/zinc/83/85/89/780838589.db2.gz JUAFXFUWLPSMEA-ZDUSSCGKSA-N 1 2 347.423 0.009 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[NH+](CCCCCNC(=O)c2cnn[nH]2)CC1 ZINC001079161827 780838599 /nfs/dbraw/zinc/83/85/99/780838599.db2.gz JUAFXFUWLPSMEA-ZDUSSCGKSA-N 1 2 347.423 0.009 20 30 ECEDLO C#CCCCC(=O)NCC1(O)CN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001042806889 780857331 /nfs/dbraw/zinc/85/73/31/780857331.db2.gz MGCBDSPPPIVSCU-UHFFFAOYSA-N 1 2 345.399 0.126 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001042827913 780900449 /nfs/dbraw/zinc/90/04/49/780900449.db2.gz GUIZKWPDSCDIKQ-ZDUSSCGKSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC(O)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001042828032 780901160 /nfs/dbraw/zinc/90/11/60/780901160.db2.gz JEGRXFSHSGLDKJ-STQMWFEESA-N 1 2 334.420 0.490 20 30 ECEDLO CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001042850808 780943208 /nfs/dbraw/zinc/94/32/08/780943208.db2.gz SRCQYXSCLGZODJ-ZIAGYGMSSA-N 1 2 326.360 0.170 20 30 ECEDLO N#CCN1CCC2(CN(C(=O)Cn3cc[nH+]c3)[C@@H]3COC[C@@H]32)CC1 ZINC001079274160 780949917 /nfs/dbraw/zinc/94/99/17/780949917.db2.gz KEQCSVDYIRQIJE-LSDHHAIUSA-N 1 2 329.404 0.346 20 30 ECEDLO CO[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001042871555 780970407 /nfs/dbraw/zinc/97/04/07/780970407.db2.gz ABXYGYITNUAPQX-VXGBXAGGSA-N 1 2 346.416 0.609 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)c[nH+]1 ZINC001042964586 781108782 /nfs/dbraw/zinc/10/87/82/781108782.db2.gz KKVLDJONITXOKU-UHFFFAOYSA-N 1 2 344.415 0.030 20 30 ECEDLO C=CCOCC(=O)N(CC)C1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001079492966 781179779 /nfs/dbraw/zinc/17/97/79/781179779.db2.gz SRKTUXDRAWCUTD-CQSZACIVSA-N 1 2 346.431 0.707 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001079546967 781254188 /nfs/dbraw/zinc/25/41/88/781254188.db2.gz FUEIKMYHFRUEMT-HNNXBMFYSA-N 1 2 337.464 0.979 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC(N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001079546967 781254191 /nfs/dbraw/zinc/25/41/91/781254191.db2.gz FUEIKMYHFRUEMT-HNNXBMFYSA-N 1 2 337.464 0.979 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)Cc2[nH]c[nH+]c2C)nc1 ZINC001077678686 781490324 /nfs/dbraw/zinc/49/03/24/781490324.db2.gz RRYZDABWDMXAGJ-LBPRGKRZSA-N 1 2 339.399 0.962 20 30 ECEDLO CCn1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)n1 ZINC001077778457 781680656 /nfs/dbraw/zinc/68/06/56/781680656.db2.gz KSHJKSUIZUFJTR-IAGOWNOFSA-N 1 2 339.399 0.750 20 30 ECEDLO CCn1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)n1 ZINC001077778457 781680661 /nfs/dbraw/zinc/68/06/61/781680661.db2.gz KSHJKSUIZUFJTR-IAGOWNOFSA-N 1 2 339.399 0.750 20 30 ECEDLO N#Cc1nccc(N[C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C23CCC3)n1 ZINC001041621143 781871051 /nfs/dbraw/zinc/87/10/51/781871051.db2.gz QFHFJDOJLLLWTG-STQMWFEESA-N 1 2 337.387 0.575 20 30 ECEDLO Cc1cc(N[C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@H]2C)c(C#N)cn1 ZINC001040070365 783482903 /nfs/dbraw/zinc/48/29/03/783482903.db2.gz KAMWUIMOVDCTIR-QRTARXTBSA-N 1 2 343.431 0.416 20 30 ECEDLO Cc1cc(N[C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H]2C)c(C#N)cn1 ZINC001040070365 783482907 /nfs/dbraw/zinc/48/29/07/783482907.db2.gz KAMWUIMOVDCTIR-QRTARXTBSA-N 1 2 343.431 0.416 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H]([NH2+]Cc2ccn(C)n2)[C@@H](n2ccnn2)C1 ZINC001070252105 783744513 /nfs/dbraw/zinc/74/45/13/783744513.db2.gz PSIKFCKPYIGPSG-CABCVRRESA-N 1 2 343.435 0.766 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)c2ccc(C)nc2)C1=O ZINC001038072451 783818741 /nfs/dbraw/zinc/81/87/41/783818741.db2.gz PNHRFCDPGJXHEY-HOTGVXAUSA-N 1 2 328.416 0.981 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)c2ccc(C)nc2)C1=O ZINC001038072451 783818745 /nfs/dbraw/zinc/81/87/45/783818745.db2.gz PNHRFCDPGJXHEY-HOTGVXAUSA-N 1 2 328.416 0.981 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001038131681 783896240 /nfs/dbraw/zinc/89/62/40/783896240.db2.gz ADJZYCTXTPYFMK-HIFRSBDPSA-N 1 2 327.388 0.477 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001038131681 783896246 /nfs/dbraw/zinc/89/62/46/783896246.db2.gz ADJZYCTXTPYFMK-HIFRSBDPSA-N 1 2 327.388 0.477 20 30 ECEDLO C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2[nH]ncc2F)CC1 ZINC001070378452 783915176 /nfs/dbraw/zinc/91/51/76/783915176.db2.gz QWCOZFCERBXYLB-HIFRSBDPSA-N 1 2 349.410 0.824 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)c2cc[nH]c(=O)c2)C1=O ZINC001038149452 783919899 /nfs/dbraw/zinc/91/98/99/783919899.db2.gz AEFRWPIKJVCJMX-UONOGXRCSA-N 1 2 330.388 0.378 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)c2cc[nH]c(=O)c2)C1=O ZINC001038149452 783919904 /nfs/dbraw/zinc/91/99/04/783919904.db2.gz AEFRWPIKJVCJMX-UONOGXRCSA-N 1 2 330.388 0.378 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CC[N@@H+]2[C@H]2CCN(C3CCC3)C2=O)c[nH]1 ZINC001038174874 783950612 /nfs/dbraw/zinc/95/06/12/783950612.db2.gz KFLPICWJXDCMHS-HOTGVXAUSA-N 1 2 341.415 0.844 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CC[N@H+]2[C@H]2CCN(C3CCC3)C2=O)c[nH]1 ZINC001038174874 783950617 /nfs/dbraw/zinc/95/06/17/783950617.db2.gz KFLPICWJXDCMHS-HOTGVXAUSA-N 1 2 341.415 0.844 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1cn[nH]c1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070440597 784077977 /nfs/dbraw/zinc/07/79/77/784077977.db2.gz KJELQJXZWMSEOS-CYBMUJFWSA-N 1 2 325.376 0.011 20 30 ECEDLO CC#CC[NH+]1CC2(C1)CN(C(=O)c1cn[nH]c1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070441069 784080021 /nfs/dbraw/zinc/08/00/21/784080021.db2.gz PGQWWJODUGMZPG-CQSZACIVSA-N 1 2 339.403 0.401 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC001070903276 784082631 /nfs/dbraw/zinc/08/26/31/784082631.db2.gz JGMAOPHPVUSJJA-CFVMTHIKSA-N 1 2 330.388 0.920 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC001070903276 784082635 /nfs/dbraw/zinc/08/26/35/784082635.db2.gz JGMAOPHPVUSJJA-CFVMTHIKSA-N 1 2 330.388 0.920 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1cnsn1)C[C@H]2c1nnc(C)[nH]1 ZINC001070442612 784085229 /nfs/dbraw/zinc/08/52/29/784085229.db2.gz KTHCGPLRENLWOA-NSHDSACASA-N 1 2 343.416 0.139 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1ccon1)C[C@H]2c1nnc(C)[nH]1 ZINC001070442394 784085622 /nfs/dbraw/zinc/08/56/22/784085622.db2.gz GZGSQWLRSKGIMW-LBPRGKRZSA-N 1 2 326.360 0.276 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cnns2)C1 ZINC001070905659 784087045 /nfs/dbraw/zinc/08/70/45/784087045.db2.gz FNRIRUASXAPHBE-UTUOFQBUSA-N 1 2 349.416 0.444 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cnns2)C1 ZINC001070905659 784087052 /nfs/dbraw/zinc/08/70/52/784087052.db2.gz FNRIRUASXAPHBE-UTUOFQBUSA-N 1 2 349.416 0.444 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ocnc2C)C1 ZINC001070908803 784096915 /nfs/dbraw/zinc/09/69/15/784096915.db2.gz TUNOPIWBZLSZTG-MJBXVCDLSA-N 1 2 346.387 0.889 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ocnc2C)C1 ZINC001070908803 784096920 /nfs/dbraw/zinc/09/69/20/784096920.db2.gz TUNOPIWBZLSZTG-MJBXVCDLSA-N 1 2 346.387 0.889 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@]1(C)CCOC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070448799 784105441 /nfs/dbraw/zinc/10/54/41/784105441.db2.gz BYFYWICYYBQODY-WMLDXEAASA-N 1 2 343.431 0.401 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)C1(CF)CC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070449298 784106552 /nfs/dbraw/zinc/10/65/52/784106552.db2.gz OSWRUMWYPRUXEZ-ZDUSSCGKSA-N 1 2 331.395 0.724 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001070919092 784113448 /nfs/dbraw/zinc/11/34/48/784113448.db2.gz YBRUSWSANRFSJB-LSDHHAIUSA-N 1 2 346.431 0.755 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001070921458 784118914 /nfs/dbraw/zinc/11/89/14/784118914.db2.gz ZBMGLDNITRJCHL-MJBXVCDLSA-N 1 2 345.403 0.244 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001070921458 784118917 /nfs/dbraw/zinc/11/89/17/784118917.db2.gz ZBMGLDNITRJCHL-MJBXVCDLSA-N 1 2 345.403 0.244 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cnc(C)cn2)CC1 ZINC001070934542 784152401 /nfs/dbraw/zinc/15/24/01/784152401.db2.gz HWLYBRGOVGZXSN-UHFFFAOYSA-N 1 2 329.404 0.072 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cnc(C)cn2)CC1 ZINC001070934542 784152407 /nfs/dbraw/zinc/15/24/07/784152407.db2.gz HWLYBRGOVGZXSN-UHFFFAOYSA-N 1 2 329.404 0.072 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2n[nH]c(C)c2C)CC1 ZINC001070947237 784193664 /nfs/dbraw/zinc/19/36/64/784193664.db2.gz NRVMGNSZVMVHBC-UHFFFAOYSA-N 1 2 333.436 0.867 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2n[nH]c(C)c2C)CC1 ZINC001070947237 784193669 /nfs/dbraw/zinc/19/36/69/784193669.db2.gz NRVMGNSZVMVHBC-UHFFFAOYSA-N 1 2 333.436 0.867 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2c(C)nn(C)c2C)CC1 ZINC001070983722 784319487 /nfs/dbraw/zinc/31/94/87/784319487.db2.gz BZOFRKKDUIRGPJ-UHFFFAOYSA-N 1 2 347.463 0.877 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2c(C)nn(C)c2C)CC1 ZINC001070983722 784319490 /nfs/dbraw/zinc/31/94/90/784319490.db2.gz BZOFRKKDUIRGPJ-UHFFFAOYSA-N 1 2 347.463 0.877 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cccnc2OC)CC1 ZINC001070994882 784351023 /nfs/dbraw/zinc/35/10/23/784351023.db2.gz IDBFWTUMQYLMBQ-UHFFFAOYSA-N 1 2 344.415 0.378 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cccnc2OC)CC1 ZINC001070994882 784351031 /nfs/dbraw/zinc/35/10/31/784351031.db2.gz IDBFWTUMQYLMBQ-UHFFFAOYSA-N 1 2 344.415 0.378 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2cn(C(C)C)nn2)CC1 ZINC001071011452 784405873 /nfs/dbraw/zinc/40/58/73/784405873.db2.gz GAIIJDQHHPJJCF-UHFFFAOYSA-N 1 2 348.451 0.699 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2cn(C(C)C)nn2)CC1 ZINC001071011452 784405877 /nfs/dbraw/zinc/40/58/77/784405877.db2.gz GAIIJDQHHPJJCF-UHFFFAOYSA-N 1 2 348.451 0.699 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC[C@H]2CCCO2)C[C@H]1NCC#N ZINC001070622708 784451470 /nfs/dbraw/zinc/45/14/70/784451470.db2.gz SVYSGWMAKNFWSY-RBSFLKMASA-N 1 2 331.420 0.787 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cccn3nccc23)C[C@H]1NCC#N ZINC001070664375 784521568 /nfs/dbraw/zinc/52/15/68/784521568.db2.gz NHJUGPDWTMPWDA-HUUCEWRRSA-N 1 2 349.398 0.789 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NCC#N ZINC001070670490 784527574 /nfs/dbraw/zinc/52/75/74/784527574.db2.gz UMJDKRWLCCQTFG-HVVVGRKASA-N 1 2 341.415 0.251 20 30 ECEDLO C=C(C)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CS(C)(=O)=O)C[C@H](C)O2 ZINC001071144637 784596360 /nfs/dbraw/zinc/59/63/60/784596360.db2.gz RJPGRWVCHWTKKW-DZGCQCFKSA-N 1 2 330.450 0.299 20 30 ECEDLO C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CS(C)(=O)=O)C[C@H](C)O2 ZINC001071144637 784596372 /nfs/dbraw/zinc/59/63/72/784596372.db2.gz RJPGRWVCHWTKKW-DZGCQCFKSA-N 1 2 330.450 0.299 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001070728336 784608027 /nfs/dbraw/zinc/60/80/27/784608027.db2.gz OKLBNZYTPZODSE-CQSZACIVSA-N 1 2 332.404 0.110 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001070730268 784615993 /nfs/dbraw/zinc/61/59/93/784615993.db2.gz AYBILLLRYWKBEV-OAHLLOKOSA-N 1 2 332.404 0.420 20 30 ECEDLO C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)CC1CS(=O)(=O)C1)C[C@@H](C)O2 ZINC001071183965 784685239 /nfs/dbraw/zinc/68/52/39/784685239.db2.gz WBJQSFIZXYEQTB-CJNGLKHVSA-N 1 2 342.461 0.299 20 30 ECEDLO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC1CS(=O)(=O)C1)C[C@@H](C)O2 ZINC001071183965 784685247 /nfs/dbraw/zinc/68/52/47/784685247.db2.gz WBJQSFIZXYEQTB-CJNGLKHVSA-N 1 2 342.461 0.299 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H](NC(=O)CSCC#N)C1 ZINC001070798877 784697397 /nfs/dbraw/zinc/69/73/97/784697397.db2.gz DJXJRYDCFCMJCC-CHWSQXEVSA-N 1 2 349.460 0.952 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H](NC(=O)CSCC#N)C1 ZINC001070798877 784697402 /nfs/dbraw/zinc/69/74/02/784697402.db2.gz DJXJRYDCFCMJCC-CHWSQXEVSA-N 1 2 349.460 0.952 20 30 ECEDLO C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(=O)c(OC)c[nH]1)C[C@H](C)O2 ZINC001071191811 784703022 /nfs/dbraw/zinc/70/30/22/784703022.db2.gz JQZSWZXLYAFKDK-SCLBCKFNSA-N 1 2 345.399 0.322 20 30 ECEDLO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(=O)c(OC)c[nH]1)C[C@H](C)O2 ZINC001071191811 784703023 /nfs/dbraw/zinc/70/30/23/784703023.db2.gz JQZSWZXLYAFKDK-SCLBCKFNSA-N 1 2 345.399 0.322 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)c1nc[nH]n1)C[C@H](C)O2 ZINC001071218218 784760952 /nfs/dbraw/zinc/76/09/52/784760952.db2.gz KPXGCZFTZOBSAT-FZMZJTMJSA-N 1 2 325.800 0.863 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1nc[nH]n1)C[C@H](C)O2 ZINC001071218218 784760961 /nfs/dbraw/zinc/76/09/61/784760961.db2.gz KPXGCZFTZOBSAT-FZMZJTMJSA-N 1 2 325.800 0.863 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3ccc[nH]3)C2)C(=O)C1 ZINC001071254947 784848332 /nfs/dbraw/zinc/84/83/32/784848332.db2.gz BBHATQNZBQNHEV-HNNXBMFYSA-N 1 2 328.416 0.787 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3ccc[nH]3)C2)C(=O)C1 ZINC001071254947 784848333 /nfs/dbraw/zinc/84/83/33/784848333.db2.gz BBHATQNZBQNHEV-HNNXBMFYSA-N 1 2 328.416 0.787 20 30 ECEDLO C#CCN1CCN([C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C(=O)C1 ZINC001071263832 784881801 /nfs/dbraw/zinc/88/18/01/784881801.db2.gz GUZRVQVAOGNWGF-OAHLLOKOSA-N 1 2 343.431 0.111 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)Cc3cnoc3)C2)C(=O)C1 ZINC001071271048 784902953 /nfs/dbraw/zinc/90/29/53/784902953.db2.gz UICHAMXDLPVLQE-MRXNPFEDSA-N 1 2 344.415 0.376 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)Cc3cnoc3)C2)C(=O)C1 ZINC001071271048 784902958 /nfs/dbraw/zinc/90/29/58/784902958.db2.gz UICHAMXDLPVLQE-MRXNPFEDSA-N 1 2 344.415 0.376 20 30 ECEDLO CC#CCN1CCN([C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C(=O)C1 ZINC001071273893 784910435 /nfs/dbraw/zinc/91/04/35/784910435.db2.gz KDVUPTXOJXUBKK-INIZCTEOSA-N 1 2 343.431 0.111 20 30 ECEDLO CC#CCN1CCN([C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C(=O)C1 ZINC001071275601 784916449 /nfs/dbraw/zinc/91/64/49/784916449.db2.gz LAJRSIJQPIYMGE-OAHLLOKOSA-N 1 2 343.431 0.111 20 30 ECEDLO C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001071809044 785136533 /nfs/dbraw/zinc/13/65/33/785136533.db2.gz PCXZYHPYYORKPE-HIFRSBDPSA-N 1 2 334.420 0.518 20 30 ECEDLO C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001071874425 785253062 /nfs/dbraw/zinc/25/30/62/785253062.db2.gz JSNPENOHJCRRQL-NHYWBVRUSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001071874425 785253067 /nfs/dbraw/zinc/25/30/67/785253067.db2.gz JSNPENOHJCRRQL-NHYWBVRUSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001072040662 785564563 /nfs/dbraw/zinc/56/45/63/785564563.db2.gz ZFSFLHGPYGQRLR-CZUORRHYSA-N 1 2 328.416 0.729 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001072372398 786096217 /nfs/dbraw/zinc/09/62/17/786096217.db2.gz IBTIRSAEMNDSEP-GJZGRUSLSA-N 1 2 334.420 0.829 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001072372397 786096259 /nfs/dbraw/zinc/09/62/59/786096259.db2.gz IBTIRSAEMNDSEP-CABCVRRESA-N 1 2 334.420 0.829 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001072484589 786260184 /nfs/dbraw/zinc/26/01/84/786260184.db2.gz PYERFWDYSOWGFY-SWLSCSKDSA-N 1 2 332.404 0.264 20 30 ECEDLO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H](C)C#N)C2)C1 ZINC001072544620 786349372 /nfs/dbraw/zinc/34/93/72/786349372.db2.gz RJJBYZPITAUHII-LLVKDONJSA-N 1 2 344.419 0.659 20 30 ECEDLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H](C)C#N)C2)C1 ZINC001072544620 786349375 /nfs/dbraw/zinc/34/93/75/786349375.db2.gz RJJBYZPITAUHII-LLVKDONJSA-N 1 2 344.419 0.659 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc4n[nH]nc43)C[C@H]21 ZINC001074243767 786496216 /nfs/dbraw/zinc/49/62/16/786496216.db2.gz BGJIJZKRCKOIJD-CVEARBPZSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc4n[nH]nc43)C[C@H]21 ZINC001074243767 786496224 /nfs/dbraw/zinc/49/62/24/786496224.db2.gz BGJIJZKRCKOIJD-CVEARBPZSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn4c(n3)CCC4)C[C@H]21 ZINC001074244629 786498120 /nfs/dbraw/zinc/49/81/20/786498120.db2.gz ISZQQXQFZGKFOJ-HZPDHXFCSA-N 1 2 328.416 0.768 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn4c(n3)CCC4)C[C@H]21 ZINC001074244629 786498123 /nfs/dbraw/zinc/49/81/23/786498123.db2.gz ISZQQXQFZGKFOJ-HZPDHXFCSA-N 1 2 328.416 0.768 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccnc4[nH]cnc43)C[C@@H]21 ZINC001074255402 786525354 /nfs/dbraw/zinc/52/53/54/786525354.db2.gz DLTLJPPCZKSTJB-LSDHHAIUSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccnc4[nH]cnc43)C[C@@H]21 ZINC001074255402 786525356 /nfs/dbraw/zinc/52/53/56/786525356.db2.gz DLTLJPPCZKSTJB-LSDHHAIUSA-N 1 2 339.399 0.897 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc4n(n3)CCC4)C[C@@H]21 ZINC001074258753 786533244 /nfs/dbraw/zinc/53/32/44/786533244.db2.gz ARAUYLRLZRXOEC-IRXDYDNUSA-N 1 2 328.416 0.768 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc4n(n3)CCC4)C[C@@H]21 ZINC001074258753 786533248 /nfs/dbraw/zinc/53/32/48/786533248.db2.gz ARAUYLRLZRXOEC-IRXDYDNUSA-N 1 2 328.416 0.768 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)COc3cc(C)on3)C[C@H]21 ZINC001074271950 786559129 /nfs/dbraw/zinc/55/91/29/786559129.db2.gz VBFKSQOOOGLWST-CABCVRRESA-N 1 2 333.388 0.687 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)COc3cc(C)on3)C[C@H]21 ZINC001074271950 786559131 /nfs/dbraw/zinc/55/91/31/786559131.db2.gz VBFKSQOOOGLWST-CABCVRRESA-N 1 2 333.388 0.687 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccnn3CCOC)C[C@@H]21 ZINC001074273585 786563095 /nfs/dbraw/zinc/56/30/95/786563095.db2.gz LOBNIWPVAJTJPV-IRXDYDNUSA-N 1 2 346.431 0.468 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccnn3CCOC)C[C@@H]21 ZINC001074273585 786563096 /nfs/dbraw/zinc/56/30/96/786563096.db2.gz LOBNIWPVAJTJPV-IRXDYDNUSA-N 1 2 346.431 0.468 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3cnccc3OC)C[C@H]21 ZINC001074276755 786570230 /nfs/dbraw/zinc/57/02/30/786570230.db2.gz RWONMLYQZLGNLU-AEFFLSMTSA-N 1 2 343.427 0.958 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3cnccc3OC)C[C@H]21 ZINC001074276755 786570235 /nfs/dbraw/zinc/57/02/35/786570235.db2.gz RWONMLYQZLGNLU-AEFFLSMTSA-N 1 2 343.427 0.958 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C[C@@H]21 ZINC001074285110 786593737 /nfs/dbraw/zinc/59/37/37/786593737.db2.gz VPGBLSFWWPWULV-JKSUJKDBSA-N 1 2 331.416 0.877 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C[C@@H]21 ZINC001074285110 786593742 /nfs/dbraw/zinc/59/37/42/786593742.db2.gz VPGBLSFWWPWULV-JKSUJKDBSA-N 1 2 331.416 0.877 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccnc4n[nH]nc43)C[C@H]21 ZINC001074291743 786607945 /nfs/dbraw/zinc/60/79/45/786607945.db2.gz JPSXPRJILCWLDE-ZIAGYGMSSA-N 1 2 340.387 0.292 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccnc4n[nH]nc43)C[C@H]21 ZINC001074291743 786607952 /nfs/dbraw/zinc/60/79/52/786607952.db2.gz JPSXPRJILCWLDE-ZIAGYGMSSA-N 1 2 340.387 0.292 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3cc(C)nn3C)C[C@H]21 ZINC001074296130 786620269 /nfs/dbraw/zinc/62/02/69/786620269.db2.gz BKHJCIVTXPGMIV-SJORKVTESA-N 1 2 330.432 0.596 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3cc(C)nn3C)C[C@H]21 ZINC001074296130 786620274 /nfs/dbraw/zinc/62/02/74/786620274.db2.gz BKHJCIVTXPGMIV-SJORKVTESA-N 1 2 330.432 0.596 20 30 ECEDLO CC#CCN1CCO[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@H]21 ZINC001074301764 786629907 /nfs/dbraw/zinc/62/99/07/786629907.db2.gz GPIVMLWNVVNMPB-HZPDHXFCSA-N 1 2 330.432 0.678 20 30 ECEDLO CC#CCN1CCO[C@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@H]21 ZINC001074301762 786630457 /nfs/dbraw/zinc/63/04/57/786630457.db2.gz GPIVMLWNVVNMPB-CVEARBPZSA-N 1 2 330.432 0.678 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3cn(CC)nn3)C[C@@H]21 ZINC001074302837 786635029 /nfs/dbraw/zinc/63/50/29/786635029.db2.gz XVTOLWALIMBBDG-JKSUJKDBSA-N 1 2 333.436 0.718 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3cn(CC)nn3)C[C@@H]21 ZINC001074302837 786635036 /nfs/dbraw/zinc/63/50/36/786635036.db2.gz XVTOLWALIMBBDG-JKSUJKDBSA-N 1 2 333.436 0.718 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)nn(C)c3C)C[C@H]21 ZINC001074307608 786641969 /nfs/dbraw/zinc/64/19/69/786641969.db2.gz LSCROLCRAWHQHX-HZPDHXFCSA-N 1 2 330.432 0.976 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)nn(C)c3C)C[C@H]21 ZINC001074307608 786641976 /nfs/dbraw/zinc/64/19/76/786641976.db2.gz LSCROLCRAWHQHX-HZPDHXFCSA-N 1 2 330.432 0.976 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3c(C)nn(C)c3C)C[C@@H]21 ZINC001074307493 786642353 /nfs/dbraw/zinc/64/23/53/786642353.db2.gz JZFXBVRDQDPPIG-ZWKOTPCHSA-N 1 2 344.459 0.904 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3c(C)nn(C)c3C)C[C@@H]21 ZINC001074307493 786642358 /nfs/dbraw/zinc/64/23/58/786642358.db2.gz JZFXBVRDQDPPIG-ZWKOTPCHSA-N 1 2 344.459 0.904 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)nc[nH]c3=O)C[C@@H]21 ZINC001074317176 786661105 /nfs/dbraw/zinc/66/11/05/786661105.db2.gz LHTGNOZQYJUYGY-UONOGXRCSA-N 1 2 332.404 0.982 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)nc[nH]c3=O)C[C@@H]21 ZINC001074317176 786661109 /nfs/dbraw/zinc/66/11/09/786661109.db2.gz LHTGNOZQYJUYGY-UONOGXRCSA-N 1 2 332.404 0.982 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3ccnc(OC)c3)C[C@H]21 ZINC001074338006 786702639 /nfs/dbraw/zinc/70/26/39/786702639.db2.gz GVRIFSFJJQJBRV-SJORKVTESA-N 1 2 343.427 0.958 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3ccnc(OC)c3)C[C@H]21 ZINC001074338006 786702645 /nfs/dbraw/zinc/70/26/45/786702645.db2.gz GVRIFSFJJQJBRV-SJORKVTESA-N 1 2 343.427 0.958 20 30 ECEDLO CC#CCN1CCO[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC001074394390 786841915 /nfs/dbraw/zinc/84/19/15/786841915.db2.gz FCBCTIZNQCNHQT-DLBZAZTESA-N 1 2 330.432 0.678 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CN3CCCCCC3=O)C[C@H]21 ZINC001074397323 786849813 /nfs/dbraw/zinc/84/98/13/786849813.db2.gz GMIVKDQIRMCPDH-SJORKVTESA-N 1 2 347.459 0.714 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CN3CCCCCC3=O)C[C@H]21 ZINC001074397323 786849822 /nfs/dbraw/zinc/84/98/22/786849822.db2.gz GMIVKDQIRMCPDH-SJORKVTESA-N 1 2 347.459 0.714 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001073645104 786859464 /nfs/dbraw/zinc/85/94/64/786859464.db2.gz DQNWWGYPLMHPCB-OLZOCXBDSA-N 1 2 329.828 0.472 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001073645104 786859474 /nfs/dbraw/zinc/85/94/74/786859474.db2.gz DQNWWGYPLMHPCB-OLZOCXBDSA-N 1 2 329.828 0.472 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3c(C)n[nH]c3C)C[C@@H]21 ZINC001074405541 786879209 /nfs/dbraw/zinc/87/92/09/786879209.db2.gz STQHURMGZNLJGH-DLBZAZTESA-N 1 2 330.432 0.894 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3c(C)n[nH]c3C)C[C@@H]21 ZINC001074405541 786879217 /nfs/dbraw/zinc/87/92/17/786879217.db2.gz STQHURMGZNLJGH-DLBZAZTESA-N 1 2 330.432 0.894 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2cccc(=O)n2C)C1 ZINC001073760689 787147183 /nfs/dbraw/zinc/14/71/83/787147183.db2.gz ZHMVPKZJCSOTDQ-CYBMUJFWSA-N 1 2 339.823 0.959 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2cccc(=O)n2C)C1 ZINC001073760689 787147189 /nfs/dbraw/zinc/14/71/89/787147189.db2.gz ZHMVPKZJCSOTDQ-CYBMUJFWSA-N 1 2 339.823 0.959 20 30 ECEDLO C=CCCC(=O)NCC1(O)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001074567233 787277378 /nfs/dbraw/zinc/27/73/78/787277378.db2.gz DDYSPKYVMJZTLF-UHFFFAOYSA-N 1 2 334.420 0.778 20 30 ECEDLO C=CCCCC(=O)NCC1(O)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001074646065 787492696 /nfs/dbraw/zinc/49/26/96/787492696.db2.gz JGYPKMYIKCBBLN-UHFFFAOYSA-N 1 2 348.447 0.789 20 30 ECEDLO CC(C)C#CC(=O)NCC1(O)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001074647300 787497925 /nfs/dbraw/zinc/49/79/25/787497925.db2.gz SFCUCZLVUFOWRM-UHFFFAOYSA-N 1 2 346.431 0.092 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)CC[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001073921738 787530053 /nfs/dbraw/zinc/53/00/53/787530053.db2.gz QUFYQCMAJJFPCC-OLZOCXBDSA-N 1 2 349.460 0.952 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CCC(O)(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001074683265 787586200 /nfs/dbraw/zinc/58/62/00/787586200.db2.gz FGLXLAZMAHWNDW-OAHLLOKOSA-N 1 2 348.447 0.955 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)CC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001074024752 787708819 /nfs/dbraw/zinc/70/88/19/787708819.db2.gz IQHWWUPNCAWHIA-JSGCOSHPSA-N 1 2 349.460 0.952 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)CC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001074024752 787708827 /nfs/dbraw/zinc/70/88/27/787708827.db2.gz IQHWWUPNCAWHIA-JSGCOSHPSA-N 1 2 349.460 0.952 20 30 ECEDLO CCn1cc(C[N@@H+]2CCC3(CN(C(=O)c4cc(C#N)c[nH]4)C3)C2)nn1 ZINC001072595455 788390768 /nfs/dbraw/zinc/39/07/68/788390768.db2.gz UZFGNSKJUZXMAA-UHFFFAOYSA-N 1 2 339.403 0.846 20 30 ECEDLO CCn1cc(C[N@H+]2CCC3(CN(C(=O)c4cc(C#N)c[nH]4)C3)C2)nn1 ZINC001072595455 788390780 /nfs/dbraw/zinc/39/07/80/788390780.db2.gz UZFGNSKJUZXMAA-UHFFFAOYSA-N 1 2 339.403 0.846 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)CSCC#N ZINC001075046637 788794147 /nfs/dbraw/zinc/79/41/47/788794147.db2.gz XEHVSGWJBLUSEY-QWHCGFSZSA-N 1 2 335.433 0.636 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)CSCC#N ZINC001075129266 788948444 /nfs/dbraw/zinc/94/84/44/788948444.db2.gz GRWOMEASITVNCV-NWDGAFQWSA-N 1 2 335.433 0.705 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1cnn(C)n1)C2 ZINC001072994735 789245685 /nfs/dbraw/zinc/24/56/85/789245685.db2.gz PIKJOMGPPCKTSQ-CABCVRRESA-N 1 2 331.420 0.441 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1cnn(C)n1)C2 ZINC001072994735 789245689 /nfs/dbraw/zinc/24/56/89/789245689.db2.gz PIKJOMGPPCKTSQ-CABCVRRESA-N 1 2 331.420 0.441 20 30 ECEDLO N#CCN[C@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001075415031 789343319 /nfs/dbraw/zinc/34/33/19/789343319.db2.gz CYXKCPYBHMXQHK-WMLDXEAASA-N 1 2 331.420 0.852 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001073277147 789692434 /nfs/dbraw/zinc/69/24/34/789692434.db2.gz NGVYDAWBYTZZOU-CYBMUJFWSA-N 1 2 332.404 0.488 20 30 ECEDLO N#Cc1nccnc1N1CC[C@@]2(NC(=O)Cc3c[nH]c[nH+]3)CCC[C@H]12 ZINC001069291315 789735761 /nfs/dbraw/zinc/73/57/61/789735761.db2.gz KKGBFCBVFFBJEF-YOEHRIQHSA-N 1 2 337.387 0.932 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCCN1c1nccnc1C#N ZINC001069376340 789783669 /nfs/dbraw/zinc/78/36/69/789783669.db2.gz WDCAYIDHKLGVFA-JSGCOSHPSA-N 1 2 339.403 0.798 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC001073394578 789786737 /nfs/dbraw/zinc/78/67/37/789786737.db2.gz DOCVWEBXXINQOP-HIFRSBDPSA-N 1 2 346.431 0.734 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1c1cncc(C#N)n1 ZINC001069384515 789790102 /nfs/dbraw/zinc/79/01/02/789790102.db2.gz ZBLXPSMEDFFJOV-DGCLKSJQSA-N 1 2 325.376 0.788 20 30 ECEDLO N#Cc1cncc(NC[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001069475503 789850251 /nfs/dbraw/zinc/85/02/51/789850251.db2.gz ICUDNVCNJAAMKO-CHWSQXEVSA-N 1 2 325.376 0.942 20 30 ECEDLO CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1Nc1nccnc1C#N ZINC001069583799 789918686 /nfs/dbraw/zinc/91/86/86/789918686.db2.gz NXYKQBZBQKKDMD-GFCCVEGCSA-N 1 2 325.376 0.963 20 30 ECEDLO CC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1Nc1ccnc(C#N)n1 ZINC001069627659 789938716 /nfs/dbraw/zinc/93/87/16/789938716.db2.gz KOSSHVMUOSULTE-ZDUSSCGKSA-N 1 2 339.403 0.775 20 30 ECEDLO CC1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1Nc1ccnc(C#N)n1 ZINC001069627659 789938719 /nfs/dbraw/zinc/93/87/19/789938719.db2.gz KOSSHVMUOSULTE-ZDUSSCGKSA-N 1 2 339.403 0.775 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CCCCC(=O)N3)c2C1 ZINC001069873166 790135188 /nfs/dbraw/zinc/13/51/88/790135188.db2.gz SXHYSJNIPKHTGU-OAHLLOKOSA-N 1 2 345.447 0.950 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CCCCC(=O)N3)c2C1 ZINC001069873166 790135190 /nfs/dbraw/zinc/13/51/90/790135190.db2.gz SXHYSJNIPKHTGU-OAHLLOKOSA-N 1 2 345.447 0.950 20 30 ECEDLO C=CCn1cc(C(=O)NCc2cnn3c2C[N@H+](CCCF)CC3)nn1 ZINC001069876917 790139393 /nfs/dbraw/zinc/13/93/93/790139393.db2.gz UBEMHZUSXIKCEO-UHFFFAOYSA-N 1 2 347.398 0.766 20 30 ECEDLO C=CCn1cc(C(=O)NCc2cnn3c2C[N@@H+](CCCF)CC3)nn1 ZINC001069876917 790139397 /nfs/dbraw/zinc/13/93/97/790139397.db2.gz UBEMHZUSXIKCEO-UHFFFAOYSA-N 1 2 347.398 0.766 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccnn2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069936804 790211189 /nfs/dbraw/zinc/21/11/89/790211189.db2.gz UVPWGBDIFZOYMZ-HIFRSBDPSA-N 1 2 327.392 0.344 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccnn2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069936804 790211193 /nfs/dbraw/zinc/21/11/93/790211193.db2.gz UVPWGBDIFZOYMZ-HIFRSBDPSA-N 1 2 327.392 0.344 20 30 ECEDLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1COC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001068845387 791250463 /nfs/dbraw/zinc/25/04/63/791250463.db2.gz UIASZOHBOBFEKU-CQSZACIVSA-N 1 2 342.399 0.242 20 30 ECEDLO C[C@@H]1[C@H](Nc2cnc(C#N)cn2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001068872720 791314880 /nfs/dbraw/zinc/31/48/80/791314880.db2.gz PFHAABLIVZNKAM-BXUZGUMPSA-N 1 2 325.376 0.726 20 30 ECEDLO C=CCCC(=O)N1CC2(C1)C[C@H](NC(=O)CCc1[nH+]ccn1C)CO2 ZINC001068952168 791492669 /nfs/dbraw/zinc/49/26/69/791492669.db2.gz SRNNTLASAWKGKP-AWEZNQCLSA-N 1 2 346.431 0.805 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1COC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001068976614 791534563 /nfs/dbraw/zinc/53/45/63/791534563.db2.gz ZKXRGSJYPKYVMG-GJZGRUSLSA-N 1 2 346.431 0.972 20 30 ECEDLO C[C@H]1C[C@@H](Nc2ccnc(C#N)n2)CN1C(=O)CCc1c[nH+]cn1C ZINC001069129699 791727608 /nfs/dbraw/zinc/72/76/08/791727608.db2.gz KQJRLEROMMWENP-QWHCGFSZSA-N 1 2 339.403 0.538 20 30 ECEDLO COc1ccnc(N2CC[NH+]([C@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)n1 ZINC001066698505 792018500 /nfs/dbraw/zinc/01/85/00/792018500.db2.gz LUQBCIVFYMSCPK-KBPBESRZSA-N 1 2 344.419 0.368 20 30 ECEDLO CO[C@@H](C)C(=O)N1CC[C@@H]([NH+]2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001066699008 792020165 /nfs/dbraw/zinc/02/01/65/792020165.db2.gz QXDLFQBTBCMHJT-DZGCQCFKSA-N 1 2 344.419 0.106 20 30 ECEDLO Cc1cnc(C)nc1N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001066699202 792021771 /nfs/dbraw/zinc/02/17/71/792021771.db2.gz UCLHOQUUJRSEMM-XJKSGUPXSA-N 1 2 342.447 0.976 20 30 ECEDLO Cc1ccc(N2CC[NH+]([C@H]3CCN(C(=O)C#CC4CC4)C3)CC2)nn1 ZINC001066700712 792026623 /nfs/dbraw/zinc/02/66/23/792026623.db2.gz LAMYCQGJVRABLZ-KRWDZBQOSA-N 1 2 339.443 0.921 20 30 ECEDLO CC1(C(=O)N2CC[C@@H]([NH+]3CCN(c4ccc(C#N)nn4)CC3)C2)CC1 ZINC001066708324 792036054 /nfs/dbraw/zinc/03/60/54/792036054.db2.gz HRDLMYMRVWOIBR-OAHLLOKOSA-N 1 2 340.431 0.871 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C)c1cnc(C#N)cn1 ZINC001067768211 792256524 /nfs/dbraw/zinc/25/65/24/792256524.db2.gz QPAXOSGPMJAECW-AWEZNQCLSA-N 1 2 339.403 0.752 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001067831653 792340281 /nfs/dbraw/zinc/34/02/81/792340281.db2.gz OGCZKOUQAYOTFX-CVEARBPZSA-N 1 2 348.447 0.861 20 30 ECEDLO N#Cc1cnccc1N[C@@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001066908668 792349532 /nfs/dbraw/zinc/34/95/32/792349532.db2.gz IMEOWRGGJQDHMA-KRWDZBQOSA-N 1 2 340.387 0.037 20 30 ECEDLO N#Cc1ccc(N[C@]2(CO)CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC001066910577 792360984 /nfs/dbraw/zinc/36/09/84/792360984.db2.gz RDPNRTCNDFHOQM-MRXNPFEDSA-N 1 2 341.375 0.079 20 30 ECEDLO N#Cc1cnc(N[C@@]2(CO)CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)cn1 ZINC001066923694 792395127 /nfs/dbraw/zinc/39/51/27/792395127.db2.gz RFFOKVONPWSQDP-INIZCTEOSA-N 1 2 341.375 0.079 20 30 ECEDLO N#Cc1ccc(N[C@]2(CO)CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)nc1 ZINC001066923872 792395405 /nfs/dbraw/zinc/39/54/05/792395405.db2.gz WLQOBYLQYVIELM-QGZVFWFLSA-N 1 2 340.387 0.684 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)CCCN(C)C(=O)Cc2c[nH+]c[nH]2)nc1 ZINC001067870429 792400011 /nfs/dbraw/zinc/40/00/11/792400011.db2.gz ASTHZQNBLJPFFD-UHFFFAOYSA-N 1 2 339.399 0.949 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1Nc1nccnc1C#N ZINC001067227360 792848543 /nfs/dbraw/zinc/84/85/43/792848543.db2.gz KCMTZVBHKCGAFF-JSGCOSHPSA-N 1 2 339.403 0.973 20 30 ECEDLO C[C@@H](Nc1ccc(C#N)nc1)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001068235711 792891516 /nfs/dbraw/zinc/89/15/16/792891516.db2.gz YMZPPSIFAJHNJC-CZUORRHYSA-N 1 2 340.387 0.878 20 30 ECEDLO C[C@H]1CN(c2ccnc(C#N)n2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067439725 793162379 /nfs/dbraw/zinc/16/23/79/793162379.db2.gz FUPZVJPTWJUFPP-AAEUAGOBSA-N 1 2 325.376 0.645 20 30 ECEDLO C#CCCCC(=O)N1CCOC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001068388040 793178174 /nfs/dbraw/zinc/17/81/74/793178174.db2.gz SVPATGXXQUISPA-UHFFFAOYSA-N 1 2 344.415 0.586 20 30 ECEDLO CCCN(C(=O)[C@@H]1C[C@H]1C1CC1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267488426 837551508 /nfs/dbraw/zinc/55/15/08/837551508.db2.gz LXYXRAMUMPTZQM-OWCLPIDISA-N 1 2 332.448 0.985 20 30 ECEDLO CCCN(C(=O)[C@@H]1C[C@H]1C1CC1)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267488426 837551516 /nfs/dbraw/zinc/55/15/16/837551516.db2.gz LXYXRAMUMPTZQM-OWCLPIDISA-N 1 2 332.448 0.985 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[C@H]1CC[N@@H+](Cc2noc(CC)n2)C1 ZINC001267530952 837703560 /nfs/dbraw/zinc/70/35/60/837703560.db2.gz ICOMRRYXBYVSOW-KGLIPLIRSA-N 1 2 334.420 0.999 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[C@H]1CC[N@H+](Cc2noc(CC)n2)C1 ZINC001267530952 837703569 /nfs/dbraw/zinc/70/35/69/837703569.db2.gz ICOMRRYXBYVSOW-KGLIPLIRSA-N 1 2 334.420 0.999 20 30 ECEDLO CC(C)C#CC(=O)N(C)CCN1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC001267572590 837809494 /nfs/dbraw/zinc/80/94/94/837809494.db2.gz QBZZVAACYROITN-INIZCTEOSA-N 1 2 336.480 0.199 20 30 ECEDLO C#CC[NH+]1CCN(CCN(C)C(=O)CCn2nc(C)cc2C)CC1 ZINC001267573050 837812810 /nfs/dbraw/zinc/81/28/10/837812810.db2.gz HCPZZALKKYCGGQ-UHFFFAOYSA-N 1 2 331.464 0.599 20 30 ECEDLO CCn1nc(C2CC2)cc1C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001267572954 837813140 /nfs/dbraw/zinc/81/31/40/837813140.db2.gz CTLWJCFJNYDBSN-UHFFFAOYSA-N 1 2 344.463 0.994 20 30 ECEDLO COCC#CCN1CC[NH+](CCNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC001266281520 835610025 /nfs/dbraw/zinc/61/00/25/835610025.db2.gz QWMBCXGUUXUMCJ-PIIMJCKOSA-N 1 2 333.476 0.806 20 30 ECEDLO COCC#CC[NH+]1CCN(CCNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC001266281520 835610027 /nfs/dbraw/zinc/61/00/27/835610027.db2.gz QWMBCXGUUXUMCJ-PIIMJCKOSA-N 1 2 333.476 0.806 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1c(C)noc1C(F)F ZINC001266286243 835623276 /nfs/dbraw/zinc/62/32/76/835623276.db2.gz FLNIZQGRISZCKP-UHFFFAOYSA-N 1 2 330.335 0.884 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1c(C)noc1C(F)F ZINC001266286243 835623278 /nfs/dbraw/zinc/62/32/78/835623278.db2.gz FLNIZQGRISZCKP-UHFFFAOYSA-N 1 2 330.335 0.884 20 30 ECEDLO C#CCN1CC[NH+](CCNC(=O)C[C@@H]2CCOC[C@@H]2OCC)CC1 ZINC001266288042 835630608 /nfs/dbraw/zinc/63/06/08/835630608.db2.gz OYTKFVQMHBELND-IRXDYDNUSA-N 1 2 337.464 0.185 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(C)o2)C1 ZINC001266308628 835674540 /nfs/dbraw/zinc/67/45/40/835674540.db2.gz ZGCGZGJEUYLQOL-OAHLLOKOSA-N 1 2 349.431 0.940 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(C)o2)C1 ZINC001266308628 835674542 /nfs/dbraw/zinc/67/45/42/835674542.db2.gz ZGCGZGJEUYLQOL-OAHLLOKOSA-N 1 2 349.431 0.940 20 30 ECEDLO Cc1ccc(F)c(OCC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C2)c1 ZINC001266320687 835691334 /nfs/dbraw/zinc/69/13/34/835691334.db2.gz DELXSNRFLYCUCJ-ZDUSSCGKSA-N 1 2 348.378 0.343 20 30 ECEDLO Cc1ccc(F)c(OCC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)c1 ZINC001266320687 835691339 /nfs/dbraw/zinc/69/13/39/835691339.db2.gz DELXSNRFLYCUCJ-ZDUSSCGKSA-N 1 2 348.378 0.343 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cc(F)ccc2F)C1 ZINC001266322800 835697376 /nfs/dbraw/zinc/69/73/76/835697376.db2.gz OBUMECOVRRAHCI-WCQYABFASA-N 1 2 335.354 0.907 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cc(F)ccc2F)C1 ZINC001266322800 835697382 /nfs/dbraw/zinc/69/73/82/835697382.db2.gz OBUMECOVRRAHCI-WCQYABFASA-N 1 2 335.354 0.907 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC(C)(C)CC(F)F)C1 ZINC001266330948 835711714 /nfs/dbraw/zinc/71/17/14/835711714.db2.gz KKQICJYCUPLAJY-GFCCVEGCSA-N 1 2 329.391 0.998 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)CC(F)F)C1 ZINC001266330948 835711715 /nfs/dbraw/zinc/71/17/15/835711715.db2.gz KKQICJYCUPLAJY-GFCCVEGCSA-N 1 2 329.391 0.998 20 30 ECEDLO C[N@H+](CCNC(=O)[C@@]1(C)CCCc2ccccc21)CC(=O)NCC#N ZINC001266337231 835721210 /nfs/dbraw/zinc/72/12/10/835721210.db2.gz BLUNGDDXBIEUJB-IBGZPJMESA-N 1 2 342.443 0.968 20 30 ECEDLO C[N@@H+](CCNC(=O)[C@@]1(C)CCCc2ccccc21)CC(=O)NCC#N ZINC001266337231 835721212 /nfs/dbraw/zinc/72/12/12/835721212.db2.gz BLUNGDDXBIEUJB-IBGZPJMESA-N 1 2 342.443 0.968 20 30 ECEDLO Cc1cc(C)n(CCCC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C2)n1 ZINC001266344555 835732573 /nfs/dbraw/zinc/73/25/73/835732573.db2.gz JBFSARCRYCPIMJ-HNNXBMFYSA-N 1 2 346.435 0.110 20 30 ECEDLO Cc1cc(C)n(CCCC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)n1 ZINC001266344555 835732583 /nfs/dbraw/zinc/73/25/83/835732583.db2.gz JBFSARCRYCPIMJ-HNNXBMFYSA-N 1 2 346.435 0.110 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccn(C(C)C)n2)C1 ZINC001266344347 835732752 /nfs/dbraw/zinc/73/27/52/835732752.db2.gz HBEFHHWMXAHMHK-UONOGXRCSA-N 1 2 333.436 0.959 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccn(C(C)C)n2)C1 ZINC001266344347 835732758 /nfs/dbraw/zinc/73/27/58/835732758.db2.gz HBEFHHWMXAHMHK-UONOGXRCSA-N 1 2 333.436 0.959 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(=O)c(OC)co1 ZINC001266465404 835867675 /nfs/dbraw/zinc/86/76/75/835867675.db2.gz VPQQJXDPIQYTDV-KGLIPLIRSA-N 1 2 348.399 0.767 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(=O)c(OC)co1 ZINC001266465404 835867684 /nfs/dbraw/zinc/86/76/84/835867684.db2.gz VPQQJXDPIQYTDV-KGLIPLIRSA-N 1 2 348.399 0.767 20 30 ECEDLO Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NCC#N)c(F)c1 ZINC001266482791 835882349 /nfs/dbraw/zinc/88/23/49/835882349.db2.gz IMXUPDONHPSCPM-CYBMUJFWSA-N 1 2 332.379 0.968 20 30 ECEDLO Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NCC#N)c(F)c1 ZINC001266482791 835882355 /nfs/dbraw/zinc/88/23/55/835882355.db2.gz IMXUPDONHPSCPM-CYBMUJFWSA-N 1 2 332.379 0.968 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1c(C)nn(C)c1F ZINC001266492345 835893186 /nfs/dbraw/zinc/89/31/86/835893186.db2.gz NGVPCXKOMHVQDI-LBPRGKRZSA-N 1 2 337.399 0.364 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)nn(C)c1F ZINC001266492345 835893192 /nfs/dbraw/zinc/89/31/92/835893192.db2.gz NGVPCXKOMHVQDI-LBPRGKRZSA-N 1 2 337.399 0.364 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2nnc(C3CC3)o2)C1 ZINC001266514276 835925960 /nfs/dbraw/zinc/92/59/60/835925960.db2.gz OXTNNBDZLOIUFE-OLZOCXBDSA-N 1 2 332.404 0.923 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2nnc(C3CC3)o2)C1 ZINC001266514276 835925965 /nfs/dbraw/zinc/92/59/65/835925965.db2.gz OXTNNBDZLOIUFE-OLZOCXBDSA-N 1 2 332.404 0.923 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC001266538067 835957680 /nfs/dbraw/zinc/95/76/80/835957680.db2.gz XWFRWORXSRFABC-UKRRQHHQSA-N 1 2 335.408 0.479 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001266538067 835957684 /nfs/dbraw/zinc/95/76/84/835957684.db2.gz XWFRWORXSRFABC-UKRRQHHQSA-N 1 2 335.408 0.479 20 30 ECEDLO CCn1ncnc1C[N@@H+]1CCC[C@H](CNC(=O)CSCC#N)C1 ZINC001266740566 836223014 /nfs/dbraw/zinc/22/30/14/836223014.db2.gz UPQJIQDUADHZME-CYBMUJFWSA-N 1 2 336.465 0.883 20 30 ECEDLO CCn1ncnc1C[N@H+]1CCC[C@H](CNC(=O)CSCC#N)C1 ZINC001266740566 836223023 /nfs/dbraw/zinc/22/30/23/836223023.db2.gz UPQJIQDUADHZME-CYBMUJFWSA-N 1 2 336.465 0.883 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CCC[N@@H+](Cc2nn(CC)nc2C)C1 ZINC001266750596 836241400 /nfs/dbraw/zinc/24/14/00/836241400.db2.gz ZHUUVQYLTQMCTC-HZPDHXFCSA-N 1 2 347.463 0.973 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CCC[N@H+](Cc2nn(CC)nc2C)C1 ZINC001266750596 836241402 /nfs/dbraw/zinc/24/14/02/836241402.db2.gz ZHUUVQYLTQMCTC-HZPDHXFCSA-N 1 2 347.463 0.973 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cnoc1CC ZINC001266855515 836389706 /nfs/dbraw/zinc/38/97/06/836389706.db2.gz DOOPZIHOFBJRFS-CYBMUJFWSA-N 1 2 332.404 0.571 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnoc1CC ZINC001266855515 836389716 /nfs/dbraw/zinc/38/97/16/836389716.db2.gz DOOPZIHOFBJRFS-CYBMUJFWSA-N 1 2 332.404 0.571 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(CC)nn1C ZINC001266857587 836394886 /nfs/dbraw/zinc/39/48/86/836394886.db2.gz NIGIIXHTIRNQEK-HNNXBMFYSA-N 1 2 347.463 0.869 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(CC)nn1C ZINC001266857587 836394900 /nfs/dbraw/zinc/39/49/00/836394900.db2.gz NIGIIXHTIRNQEK-HNNXBMFYSA-N 1 2 347.463 0.869 20 30 ECEDLO C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001267087534 836738015 /nfs/dbraw/zinc/73/80/15/836738015.db2.gz FNBQFAKUADGQKU-STQMWFEESA-N 1 2 342.403 0.112 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccc(Cl)c(OC)c1 ZINC001267220617 837012126 /nfs/dbraw/zinc/01/21/26/837012126.db2.gz ZIENHSUETJJTNV-UHFFFAOYSA-N 1 2 337.807 0.760 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1ccc(Cl)c(OC)c1 ZINC001267220617 837012136 /nfs/dbraw/zinc/01/21/36/837012136.db2.gz ZIENHSUETJJTNV-UHFFFAOYSA-N 1 2 337.807 0.760 20 30 ECEDLO C=CCn1cc(C(=O)NCC[N@@H+](C)Cc2ccnc(OC)n2)nn1 ZINC001267221211 837014770 /nfs/dbraw/zinc/01/47/70/837014770.db2.gz XRRJWZYAOXBGGC-UHFFFAOYSA-N 1 2 331.380 0.125 20 30 ECEDLO C=CCn1cc(C(=O)NCC[N@H+](C)Cc2ccnc(OC)n2)nn1 ZINC001267221211 837014779 /nfs/dbraw/zinc/01/47/79/837014779.db2.gz XRRJWZYAOXBGGC-UHFFFAOYSA-N 1 2 331.380 0.125 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cc(C)cc2c[nH]nc21 ZINC001267221376 837015751 /nfs/dbraw/zinc/01/57/51/837015751.db2.gz GBNRHMKTCXAMNH-UHFFFAOYSA-N 1 2 329.404 0.835 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cc(C)cc2c[nH]nc21 ZINC001267221376 837015765 /nfs/dbraw/zinc/01/57/65/837015765.db2.gz GBNRHMKTCXAMNH-UHFFFAOYSA-N 1 2 329.404 0.835 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2[nH]ccc2n1 ZINC001267276687 837120868 /nfs/dbraw/zinc/12/08/68/837120868.db2.gz PVQXIMJXCXOSPN-GFCCVEGCSA-N 1 2 340.387 0.397 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2[nH]ccc2n1 ZINC001267276687 837120871 /nfs/dbraw/zinc/12/08/71/837120871.db2.gz PVQXIMJXCXOSPN-GFCCVEGCSA-N 1 2 340.387 0.397 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)NC1CC1 ZINC001267405929 837375104 /nfs/dbraw/zinc/37/51/04/837375104.db2.gz RIRLFCYYEMFFKU-CWRNSKLLSA-N 1 2 333.432 0.369 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)NC1CC1 ZINC001267405929 837375117 /nfs/dbraw/zinc/37/51/17/837375117.db2.gz RIRLFCYYEMFFKU-CWRNSKLLSA-N 1 2 333.432 0.369 20 30 ECEDLO COCC#CCN1CC[NH+](CCN(C)C(=O)c2n[nH]c(C)c2C)CC1 ZINC001267605874 837944463 /nfs/dbraw/zinc/94/44/63/837944463.db2.gz GGAGRMRXBGTSSO-UHFFFAOYSA-N 1 2 347.463 0.366 20 30 ECEDLO COCC#CC[NH+]1CCN(CCN(C)C(=O)c2n[nH]c(C)c2C)CC1 ZINC001267605874 837944466 /nfs/dbraw/zinc/94/44/66/837944466.db2.gz GGAGRMRXBGTSSO-UHFFFAOYSA-N 1 2 347.463 0.366 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CCN(C)C(=O)C2(C3CC3)CC2)CC1 ZINC001267607576 837951359 /nfs/dbraw/zinc/95/13/59/837951359.db2.gz NCGPLSORKLVMMY-UHFFFAOYSA-N 1 2 348.491 0.555 20 30 ECEDLO C=CCC(C)(C)C(=O)N(C)CC[NH+]1CCN(CCn2cncn2)CC1 ZINC001267612556 837982135 /nfs/dbraw/zinc/98/21/35/837982135.db2.gz OTQOASITYJMIGH-UHFFFAOYSA-N 1 2 348.495 0.956 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC001267615166 837993773 /nfs/dbraw/zinc/99/37/73/837993773.db2.gz IFTSBOSDMRNHFM-TZMCWYRMSA-N 1 2 344.415 0.884 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC001267615166 837993781 /nfs/dbraw/zinc/99/37/81/837993781.db2.gz IFTSBOSDMRNHFM-TZMCWYRMSA-N 1 2 344.415 0.884 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)c2ccc(COC)o2)C1 ZINC001267629182 838084037 /nfs/dbraw/zinc/08/40/37/838084037.db2.gz QWLNSXBNVMHKMQ-KGLIPLIRSA-N 1 2 347.415 0.758 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2ccc(COC)o2)C1 ZINC001267629182 838084052 /nfs/dbraw/zinc/08/40/52/838084052.db2.gz QWLNSXBNVMHKMQ-KGLIPLIRSA-N 1 2 347.415 0.758 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)c2cc(OC)n(C)n2)C1 ZINC001267629376 838085679 /nfs/dbraw/zinc/08/56/79/838085679.db2.gz VVFHTWOOFFZLAL-STQMWFEESA-N 1 2 349.435 0.314 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2cc(OC)n(C)n2)C1 ZINC001267629376 838085694 /nfs/dbraw/zinc/08/56/94/838085694.db2.gz VVFHTWOOFFZLAL-STQMWFEESA-N 1 2 349.435 0.314 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2nccc3occc32)C1 ZINC001267628914 838085937 /nfs/dbraw/zinc/08/59/37/838085937.db2.gz NAXBGBZDGFUYPQ-ZDUSSCGKSA-N 1 2 340.383 0.771 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2nccc3occc32)C1 ZINC001267628914 838085952 /nfs/dbraw/zinc/08/59/52/838085952.db2.gz NAXBGBZDGFUYPQ-ZDUSSCGKSA-N 1 2 340.383 0.771 20 30 ECEDLO COC[C@@H](C)OC[C@H](O)C[NH+]1CC(NC(=O)C#CC(C)(C)C)C1 ZINC001267644720 838127980 /nfs/dbraw/zinc/12/79/80/838127980.db2.gz DALUCWJBZNYUPE-UKRRQHHQSA-N 1 2 326.437 0.249 20 30 ECEDLO O=C(C#CC1CC1)NCC1C[NH+](CC(=O)NCCc2ccccc2)C1 ZINC001267680991 838240533 /nfs/dbraw/zinc/24/05/33/838240533.db2.gz FKLTVICVNWTFOZ-UHFFFAOYSA-N 1 2 339.439 0.807 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2ccc3nc[nH]c3n2)C1 ZINC001267685284 838248071 /nfs/dbraw/zinc/24/80/71/838248071.db2.gz DSGAZJHYANJMMO-NSHDSACASA-N 1 2 342.403 0.310 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2ccc3[nH]ccc3n2)C1 ZINC001267686124 838253293 /nfs/dbraw/zinc/25/32/93/838253293.db2.gz LOSTWHHEMBNRFI-UHFFFAOYSA-N 1 2 327.388 0.527 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H](C=C)c2ccccc2)C1 ZINC001267698497 838292323 /nfs/dbraw/zinc/29/23/23/838292323.db2.gz AWZQCQPXHNCEER-KRWDZBQOSA-N 1 2 325.412 0.754 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2cn(C)nc2C(C)C)C1 ZINC001267698917 838293180 /nfs/dbraw/zinc/29/31/80/838293180.db2.gz JVEIRODCYBZOOL-ZDUSSCGKSA-N 1 2 347.463 0.896 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)CCOc2ccccc2F)C1 ZINC001267699015 838293377 /nfs/dbraw/zinc/29/33/77/838293377.db2.gz UKUNJYRPRUWJOE-UHFFFAOYSA-N 1 2 347.390 0.392 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H](C)Cc2ccc(F)cc2)C1 ZINC001267700721 838297769 /nfs/dbraw/zinc/29/77/69/838297769.db2.gz HNCYXBNQTVTUNZ-AWEZNQCLSA-N 1 2 345.418 0.802 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccnc1 ZINC001267707474 838314742 /nfs/dbraw/zinc/31/47/42/838314742.db2.gz YETVMVNNZAHWAT-KBMXLJTQSA-N 1 2 326.400 0.047 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccnc1 ZINC001267707474 838314744 /nfs/dbraw/zinc/31/47/44/838314744.db2.gz YETVMVNNZAHWAT-KBMXLJTQSA-N 1 2 326.400 0.047 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC2(C(F)(F)F)CC2)C1 ZINC001267726048 838398052 /nfs/dbraw/zinc/39/80/52/838398052.db2.gz PJCYDSASIPLQQD-JTQLQIEISA-N 1 2 332.326 0.549 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC2(C(F)(F)F)CC2)C1 ZINC001267726048 838398059 /nfs/dbraw/zinc/39/80/59/838398059.db2.gz PJCYDSASIPLQQD-JTQLQIEISA-N 1 2 332.326 0.549 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2cc(C(C)C)on2)C1 ZINC001267727522 838407760 /nfs/dbraw/zinc/40/77/60/838407760.db2.gz QDQRDNCTJLQEHC-OLZOCXBDSA-N 1 2 332.404 0.740 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cc(C(C)C)on2)C1 ZINC001267727522 838407763 /nfs/dbraw/zinc/40/77/63/838407763.db2.gz QDQRDNCTJLQEHC-OLZOCXBDSA-N 1 2 332.404 0.740 20 30 ECEDLO CC(C)C#CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC001267741309 838442358 /nfs/dbraw/zinc/44/23/58/838442358.db2.gz RKCYLMLIWOUVLQ-ZIAGYGMSSA-N 1 2 336.436 0.459 20 30 ECEDLO CC(C)C#CC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC001267741309 838442362 /nfs/dbraw/zinc/44/23/62/838442362.db2.gz RKCYLMLIWOUVLQ-ZIAGYGMSSA-N 1 2 336.436 0.459 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nncc3ccccc32)C1 ZINC001267744611 838447457 /nfs/dbraw/zinc/44/74/57/838447457.db2.gz FXHFAMYFFUYDFF-CQSZACIVSA-N 1 2 337.383 0.183 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2nncc3ccccc32)C1 ZINC001267744611 838447461 /nfs/dbraw/zinc/44/74/61/838447461.db2.gz FXHFAMYFFUYDFF-CQSZACIVSA-N 1 2 337.383 0.183 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)c2Cl)C1 ZINC001267745583 838451119 /nfs/dbraw/zinc/45/11/19/838451119.db2.gz WXYJBHSOOQKTJI-WDEREUQCSA-N 1 2 337.811 0.016 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cnn(C)c2Cl)C1 ZINC001267745583 838451124 /nfs/dbraw/zinc/45/11/24/838451124.db2.gz WXYJBHSOOQKTJI-WDEREUQCSA-N 1 2 337.811 0.016 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001267749171 838464771 /nfs/dbraw/zinc/46/47/71/838464771.db2.gz NTKHUKMFVYKCSR-MGPQQGTHSA-N 1 2 336.436 0.625 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001267749171 838464775 /nfs/dbraw/zinc/46/47/75/838464775.db2.gz NTKHUKMFVYKCSR-MGPQQGTHSA-N 1 2 336.436 0.625 20 30 ECEDLO C=CCCC(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC001267758942 838485722 /nfs/dbraw/zinc/48/57/22/838485722.db2.gz MTJIPJGKVDCWBY-ZIAGYGMSSA-N 1 2 338.452 0.078 20 30 ECEDLO C=CCCC(=O)N(C)[C@@H]1CC[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC001267758942 838485726 /nfs/dbraw/zinc/48/57/26/838485726.db2.gz MTJIPJGKVDCWBY-ZIAGYGMSSA-N 1 2 338.452 0.078 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2ccnn2C(C)C)C1 ZINC001267763578 838493199 /nfs/dbraw/zinc/49/31/99/838493199.db2.gz OAOOPKPQXDCPJY-AWEZNQCLSA-N 1 2 333.436 0.913 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccnn2C(C)C)C1 ZINC001267763578 838493202 /nfs/dbraw/zinc/49/32/02/838493202.db2.gz OAOOPKPQXDCPJY-AWEZNQCLSA-N 1 2 333.436 0.913 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C2(C3CC3)CC2)C1 ZINC001267767659 838505616 /nfs/dbraw/zinc/50/56/16/838505616.db2.gz PYVBKOZMWCDZHL-AWEZNQCLSA-N 1 2 348.447 0.721 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C2(C3CC3)CC2)C1 ZINC001267767659 838505619 /nfs/dbraw/zinc/50/56/19/838505619.db2.gz PYVBKOZMWCDZHL-AWEZNQCLSA-N 1 2 348.447 0.721 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc(C3CC3)on2)C1 ZINC001267788082 838564881 /nfs/dbraw/zinc/56/48/81/838564881.db2.gz PPLQGNNRGJYWDF-AWEZNQCLSA-N 1 2 344.415 0.838 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C3CC3)on2)C1 ZINC001267788082 838564885 /nfs/dbraw/zinc/56/48/85/838564885.db2.gz 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C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)C(=O)NCC=C)C2)c1 ZINC001267967025 838887140 /nfs/dbraw/zinc/88/71/40/838887140.db2.gz WBEIUFCRAZUQIJ-WMLDXEAASA-N 1 2 340.427 0.948 20 30 ECEDLO CC(C)(C)C#CC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)CCO1 ZINC001268021191 838995459 /nfs/dbraw/zinc/99/54/59/838995459.db2.gz CCOOTIZUWRQQII-HUUCEWRRSA-N 1 2 345.447 0.632 20 30 ECEDLO CC(C)(C)C#CC(=O)NC[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)CCO1 ZINC001268021191 838995465 /nfs/dbraw/zinc/99/54/65/838995465.db2.gz CCOOTIZUWRQQII-HUUCEWRRSA-N 1 2 345.447 0.632 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(C)(C)N2CCOCC2)C1 ZINC001268024783 839015797 /nfs/dbraw/zinc/01/57/97/839015797.db2.gz CKHYPYKEKSPWSY-HNNXBMFYSA-N 1 2 325.453 0.490 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C(C)(C)N2CCOCC2)C1 ZINC001268024783 839015806 /nfs/dbraw/zinc/01/58/06/839015806.db2.gz CKHYPYKEKSPWSY-HNNXBMFYSA-N 1 2 325.453 0.490 20 30 ECEDLO C=CCC[C@H](C)[N@H+]1CCO[C@@H](CNC(=O)CS(=O)(=O)C(C)C)C1 ZINC001268028846 839044202 /nfs/dbraw/zinc/04/42/02/839044202.db2.gz OQJWJMBGECYVPR-GJZGRUSLSA-N 1 2 346.493 0.981 20 30 ECEDLO C=CCC[C@H](C)[N@@H+]1CCO[C@@H](CNC(=O)CS(=O)(=O)C(C)C)C1 ZINC001268028846 839044215 /nfs/dbraw/zinc/04/42/15/839044215.db2.gz OQJWJMBGECYVPR-GJZGRUSLSA-N 1 2 346.493 0.981 20 30 ECEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)NC(=O)CC(C)(C)C)C1 ZINC001268029228 839046282 /nfs/dbraw/zinc/04/62/82/839046282.db2.gz CZFCQLCACIWXQJ-ZIAGYGMSSA-N 1 2 325.453 0.930 20 30 ECEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H](C)NC(=O)CC(C)(C)C)C1 ZINC001268029228 839046288 /nfs/dbraw/zinc/04/62/88/839046288.db2.gz CZFCQLCACIWXQJ-ZIAGYGMSSA-N 1 2 325.453 0.930 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](CCOCCOC)CCO2)nc1 ZINC001268030886 839055033 /nfs/dbraw/zinc/05/50/33/839055033.db2.gz WORYODBFUZHQIE-MRXNPFEDSA-N 1 2 347.415 0.157 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCOCCOC)CCO2)nc1 ZINC001268030886 839055047 /nfs/dbraw/zinc/05/50/47/839055047.db2.gz WORYODBFUZHQIE-MRXNPFEDSA-N 1 2 347.415 0.157 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNCc1nn(CC)nc1C ZINC001268068830 839260733 /nfs/dbraw/zinc/26/07/33/839260733.db2.gz OXUASWQLFXCENN-PBHICJAKSA-N 1 2 346.479 0.641 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNCc1nn(CC)nc1C ZINC001268068830 839260747 /nfs/dbraw/zinc/26/07/47/839260747.db2.gz OXUASWQLFXCENN-PBHICJAKSA-N 1 2 346.479 0.641 20 30 ECEDLO N#Cc1cccc(NCC(=O)N2CC[NH+](CCn3cncn3)CC2)c1 ZINC000426866670 210167285 /nfs/dbraw/zinc/16/72/85/210167285.db2.gz MDUWWMSABVFETI-UHFFFAOYSA-N 1 2 339.403 0.406 20 30 ECEDLO N#Cc1ncn(CC(=O)NCCc2[nH+]ccn2Cc2ccccc2)n1 ZINC000425959944 210125744 /nfs/dbraw/zinc/12/57/44/210125744.db2.gz MIKOJNHQDYFDKA-UHFFFAOYSA-N 1 2 335.371 0.753 20 30 ECEDLO Cc1cc(NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c(C#N)c[nH+]1 ZINC000425211876 210021111 /nfs/dbraw/zinc/02/11/11/210021111.db2.gz YPHOWJKFZMZIPZ-UHFFFAOYSA-N 1 2 349.394 0.868 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(F)ccc2F)CC1 ZINC000264971098 247096934 /nfs/dbraw/zinc/09/69/34/247096934.db2.gz GWOXIZFKXUIWRJ-UHFFFAOYSA-N 1 2 335.354 0.862 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(F)ccc2F)CC1 ZINC000264971098 247096937 /nfs/dbraw/zinc/09/69/37/247096937.db2.gz GWOXIZFKXUIWRJ-UHFFFAOYSA-N 1 2 335.354 0.862 20 30 ECEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)c1ccc(C#N)n1C ZINC000450902780 211348124 /nfs/dbraw/zinc/34/81/24/211348124.db2.gz KXOAAXXBDKTZCX-JSGCOSHPSA-N 1 2 344.394 0.973 20 30 ECEDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000268642346 252094182 /nfs/dbraw/zinc/09/41/82/252094182.db2.gz DRTOUZRBVZOWEU-HNNXBMFYSA-N 1 2 331.372 0.691 20 30 ECEDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000268642346 252094188 /nfs/dbraw/zinc/09/41/88/252094188.db2.gz DRTOUZRBVZOWEU-HNNXBMFYSA-N 1 2 331.372 0.691 20 30 ECEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000268824333 252273837 /nfs/dbraw/zinc/27/38/37/252273837.db2.gz AREVVGZFCIEING-NSHDSACASA-N 1 2 347.400 0.573 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N(C)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000337164968 285043240 /nfs/dbraw/zinc/04/32/40/285043240.db2.gz YHRAQYSYSKXRAE-RBSFLKMASA-N 1 2 346.497 0.754 20 30 ECEDLO C[C@@H](CNC(=O)N1CCC(N2CCNC2=O)CC1)[NH+]1CCOCC1 ZINC000328877527 254594182 /nfs/dbraw/zinc/59/41/82/254594182.db2.gz UEMCHXHQXIHJTB-ZDUSSCGKSA-N 1 2 339.440 0.315 20 30 ECEDLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000328947484 254594898 /nfs/dbraw/zinc/59/48/98/254594898.db2.gz VVJQVQDSSCVBDM-LSDHHAIUSA-N 1 2 339.436 0.285 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(c2nc(N(C)C)no2)CC1 ZINC000374879140 254751090 /nfs/dbraw/zinc/75/10/90/254751090.db2.gz QISUMZNWVSOEAA-UHFFFAOYSA-N 1 2 336.396 0.327 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(C(=O)NC)c(Cl)c2)CC1 ZINC000490760475 254885406 /nfs/dbraw/zinc/88/54/06/254885406.db2.gz MDCQKTHALXOXFH-UHFFFAOYSA-N 1 2 348.834 0.889 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)N[C@@](C(C)C)(C3CC3)C2=O)CC1 ZINC000490829578 254887160 /nfs/dbraw/zinc/88/71/60/254887160.db2.gz CWFWQASCFVLHMH-SFHVURJKSA-N 1 2 346.431 0.120 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(COCC)n2C[C@H]2CCOC2)CC1 ZINC000491166631 254900120 /nfs/dbraw/zinc/90/01/20/254900120.db2.gz SZRZHEGSZZWTDH-OAHLLOKOSA-N 1 2 333.436 0.606 20 30 ECEDLO C=C(CO)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000495702459 255034612 /nfs/dbraw/zinc/03/46/12/255034612.db2.gz XDLJHQIJVJYJLF-AWEZNQCLSA-N 1 2 339.436 0.689 20 30 ECEDLO CCO[C@@H]1C[C@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)[C@]12CCCO2 ZINC000329774385 286312849 /nfs/dbraw/zinc/31/28/49/286312849.db2.gz INZDRADSGBENEP-RUCLQGLUSA-N 1 2 339.436 0.642 20 30 ECEDLO CCO[C@@H]1C[C@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)[C@]12CCCO2 ZINC000329774385 286312851 /nfs/dbraw/zinc/31/28/51/286312851.db2.gz INZDRADSGBENEP-RUCLQGLUSA-N 1 2 339.436 0.642 20 30 ECEDLO Cc1conc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077956463 782010228 /nfs/dbraw/zinc/01/02/28/782010228.db2.gz ISWFDFHOKZNRLO-HUUCEWRRSA-N 1 2 326.356 0.830 20 30 ECEDLO Cc1conc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077956463 782010230 /nfs/dbraw/zinc/01/02/30/782010230.db2.gz ISWFDFHOKZNRLO-HUUCEWRRSA-N 1 2 326.356 0.830 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ncnn3C)C2)C1 ZINC001041695269 782012378 /nfs/dbraw/zinc/01/23/78/782012378.db2.gz AFRCCMWCIYRURJ-RVKKMQEKSA-N 1 2 345.447 0.831 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](Cc3ncnn3C)C2)C1 ZINC001041695269 782012382 /nfs/dbraw/zinc/01/23/82/782012382.db2.gz AFRCCMWCIYRURJ-RVKKMQEKSA-N 1 2 345.447 0.831 20 30 ECEDLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2cccc(C)c2C#N)CC1 ZINC000123266624 222246617 /nfs/dbraw/zinc/24/66/17/222246617.db2.gz USKMGZBAJZALIN-AWEZNQCLSA-N 1 2 337.445 0.944 20 30 ECEDLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000187958464 263161149 /nfs/dbraw/zinc/16/11/49/263161149.db2.gz SPAOPTGFNOIOEH-NSHDSACASA-N 1 2 343.836 0.899 20 30 ECEDLO COCCn1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cn1 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343.431 0.970 20 30 ECEDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cnccc2C#N)CC1 ZINC000358246897 266110211 /nfs/dbraw/zinc/11/02/11/266110211.db2.gz VIMJRISENAQPIQ-UHFFFAOYSA-N 1 2 343.431 0.970 20 30 ECEDLO C[C@@H]1OCC[C@@H]1[N@H+](CCO)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000361579163 267098319 /nfs/dbraw/zinc/09/83/19/267098319.db2.gz BIYSRMLLRVJNNH-BBRMVZONSA-N 1 2 338.429 0.804 20 30 ECEDLO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000361579163 267098323 /nfs/dbraw/zinc/09/83/23/267098323.db2.gz BIYSRMLLRVJNNH-BBRMVZONSA-N 1 2 338.429 0.804 20 30 ECEDLO C[C@H](C(=O)N1CCN(c2cc(C#N)ccn2)CC1)[NH+]1CCOCC1 ZINC000332554540 267126998 /nfs/dbraw/zinc/12/69/98/267126998.db2.gz REFOQIZZLFCSCF-CQSZACIVSA-N 1 2 329.404 0.323 20 30 ECEDLO C[C@H](O)CNc1cc(N2CCN(c3cc(C#N)ccn3)CC2)nc[nH+]1 ZINC000298258517 267192481 /nfs/dbraw/zinc/19/24/81/267192481.db2.gz OBPYPVOASACSIG-ZDUSSCGKSA-N 1 2 339.403 0.863 20 30 ECEDLO C[C@H](O)CNc1cc(N2CCN(c3cc(C#N)ccn3)CC2)[nH+]cn1 ZINC000298258517 267192482 /nfs/dbraw/zinc/19/24/82/267192482.db2.gz OBPYPVOASACSIG-ZDUSSCGKSA-N 1 2 339.403 0.863 20 30 ECEDLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cncc(C#N)c1 ZINC000289428706 267228988 /nfs/dbraw/zinc/22/89/88/267228988.db2.gz ITJQJKCKFCBZFA-LBPRGKRZSA-N 1 2 338.433 0.419 20 30 ECEDLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cncc(C#N)c1 ZINC000289428706 267228990 /nfs/dbraw/zinc/22/89/90/267228990.db2.gz ITJQJKCKFCBZFA-LBPRGKRZSA-N 1 2 338.433 0.419 20 30 ECEDLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(C#N)o1 ZINC000287176689 267229215 /nfs/dbraw/zinc/22/92/15/267229215.db2.gz CSSVPLBBSCOBSU-NSHDSACASA-N 1 2 327.406 0.617 20 30 ECEDLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(C#N)o1 ZINC000287176689 267229219 /nfs/dbraw/zinc/22/92/19/267229219.db2.gz CSSVPLBBSCOBSU-NSHDSACASA-N 1 2 327.406 0.617 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@H](S(N)(=O)=O)C3)C2=O)cc1 ZINC000331545082 268123510 /nfs/dbraw/zinc/12/35/10/268123510.db2.gz IKGKYVYXCZANBX-UONOGXRCSA-N 1 2 334.401 0.026 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@H](S(N)(=O)=O)C3)C2=O)cc1 ZINC000331545082 268123511 /nfs/dbraw/zinc/12/35/11/268123511.db2.gz IKGKYVYXCZANBX-UONOGXRCSA-N 1 2 334.401 0.026 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2ccc(C#N)cn2)CC1 ZINC000521671958 268135770 /nfs/dbraw/zinc/13/57/70/268135770.db2.gz MYZYEGWWOHSDQD-UHFFFAOYSA-N 1 2 348.370 0.592 20 30 ECEDLO N#Cc1ccc(NC(=O)N(CCO)CC[NH+]2CCOCC2)cc1F ZINC000353542226 268142646 /nfs/dbraw/zinc/14/26/46/268142646.db2.gz VDIUESALQFBEOE-UHFFFAOYSA-N 1 2 336.367 0.856 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)o1 ZINC000376359366 268203985 /nfs/dbraw/zinc/20/39/85/268203985.db2.gz NFPLPQWRMGVSKQ-DGCLKSJQSA-N 1 2 325.390 0.683 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)o1 ZINC000376359366 268203988 /nfs/dbraw/zinc/20/39/88/268203988.db2.gz NFPLPQWRMGVSKQ-DGCLKSJQSA-N 1 2 325.390 0.683 20 30 ECEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H]2c2nc(C(N)=O)no2)cc1 ZINC000365097134 268214204 /nfs/dbraw/zinc/21/42/04/268214204.db2.gz DYXWGLBPHJVZAA-QWHCGFSZSA-N 1 2 327.344 0.911 20 30 ECEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H]2c2nc(C(N)=O)no2)cc1 ZINC000365097134 268214207 /nfs/dbraw/zinc/21/42/07/268214207.db2.gz DYXWGLBPHJVZAA-QWHCGFSZSA-N 1 2 327.344 0.911 20 30 ECEDLO N#Cc1ccnc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)n1 ZINC000296632985 268294065 /nfs/dbraw/zinc/29/40/65/268294065.db2.gz VTPHWFCSMUCIRP-UHFFFAOYSA-N 1 2 328.420 0.873 20 30 ECEDLO N#Cc1ccsc1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000293943411 268305983 /nfs/dbraw/zinc/30/59/83/268305983.db2.gz YVIRYXAGXHGQTC-ZDUSSCGKSA-N 1 2 348.428 0.881 20 30 ECEDLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000189393335 437596546 /nfs/dbraw/zinc/59/65/46/437596546.db2.gz GCJCFKBUXIHHSQ-NSHDSACASA-N 1 2 334.351 0.161 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCC[C@]3(CCCCO3)[C@H]2C#N)CC1 ZINC000491506085 277688449 /nfs/dbraw/zinc/68/84/49/277688449.db2.gz OJMHYTZWEQTPLO-IEBWSBKVSA-N 1 2 344.459 0.691 20 30 ECEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000360538466 437623603 /nfs/dbraw/zinc/62/36/03/437623603.db2.gz ZMOAGJDLQPHNQB-HOCLYGCPSA-N 1 2 334.468 0.004 20 30 ECEDLO C#CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000073028275 436068113 /nfs/dbraw/zinc/06/81/13/436068113.db2.gz AGYMAKILYFBFBJ-LSDHHAIUSA-N 1 2 326.462 0.900 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000074259682 436117353 /nfs/dbraw/zinc/11/73/53/436117353.db2.gz VKTJPLAANJFYJN-UHFFFAOYSA-N 1 2 341.371 0.728 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000074259682 436117358 /nfs/dbraw/zinc/11/73/58/436117358.db2.gz VKTJPLAANJFYJN-UHFFFAOYSA-N 1 2 341.371 0.728 20 30 ECEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000249066724 301075399 /nfs/dbraw/zinc/07/53/99/301075399.db2.gz QKBALXMULPBWNB-ZIAGYGMSSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000249066724 301075401 /nfs/dbraw/zinc/07/54/01/301075401.db2.gz QKBALXMULPBWNB-ZIAGYGMSSA-N 1 2 337.445 0.942 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000032543181 436241937 /nfs/dbraw/zinc/24/19/37/436241937.db2.gz HSIPEYPHWVALRB-HNNXBMFYSA-N 1 2 349.479 0.423 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)CN1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000028751119 436192025 /nfs/dbraw/zinc/19/20/25/436192025.db2.gz RZZOSRGHXBUBHI-KDOFPFPSSA-N 1 2 349.479 0.326 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000077538900 436242572 /nfs/dbraw/zinc/24/25/72/436242572.db2.gz RRJUMNVGTCZTTF-NSHDSACASA-N 1 2 334.351 0.473 20 30 ECEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)NCC[NH+]1CCOCC1 ZINC000029234306 436199674 /nfs/dbraw/zinc/19/96/74/436199674.db2.gz PKBAAVDILBEKDY-UHFFFAOYSA-N 1 2 333.436 0.795 20 30 ECEDLO CCNC(=O)C[NH+]1CCN([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000029669436 436205013 /nfs/dbraw/zinc/20/50/13/436205013.db2.gz MNRBKGNFAVBBOX-CQSZACIVSA-N 1 2 343.431 0.639 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(Cc2cc(C)on2)CC1 ZINC000043595210 436334301 /nfs/dbraw/zinc/33/43/01/436334301.db2.gz LYPOJBJTNGUWRP-CYBMUJFWSA-N 1 2 335.408 0.501 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCc1ccc(C#N)cc1 ZINC000082984543 436364952 /nfs/dbraw/zinc/36/49/52/436364952.db2.gz ZVSLBISKNBXHLV-QGZVFWFLSA-N 1 2 331.416 0.642 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CNc1ccc(C#N)cc1 ZINC000082983731 436365314 /nfs/dbraw/zinc/36/53/14/436365314.db2.gz GZAZPPNZGOYINT-INIZCTEOSA-N 1 2 332.404 0.122 20 30 ECEDLO C#CCOc1ccc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000082986013 436366058 /nfs/dbraw/zinc/36/60/58/436366058.db2.gz PRTZELWHODFOFI-MRXNPFEDSA-N 1 2 332.400 0.464 20 30 ECEDLO C[C@@H](NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000083736222 436376089 /nfs/dbraw/zinc/37/60/89/436376089.db2.gz LXLBUNXNPOCIGX-RHSMWYFYSA-N 1 2 346.431 0.954 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C=C2CCSCC2)CC1 ZINC000091442386 436450370 /nfs/dbraw/zinc/45/03/70/436450370.db2.gz DWUPVKLNUUIYRU-UHFFFAOYSA-N 1 2 335.473 0.724 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C=C2CCSCC2)CC1 ZINC000091442386 436450374 /nfs/dbraw/zinc/45/03/74/436450374.db2.gz DWUPVKLNUUIYRU-UHFFFAOYSA-N 1 2 335.473 0.724 20 30 ECEDLO CCNC(=O)COc1ccc(C[NH+]2CCN(CC#N)CC2)cc1OC ZINC000092936518 436478823 /nfs/dbraw/zinc/47/88/23/436478823.db2.gz HXFCRKRJJNGHFF-UHFFFAOYSA-N 1 2 346.431 0.851 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)CN1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000052395375 436508302 /nfs/dbraw/zinc/50/83/02/436508302.db2.gz FTEJOKVSJYZUIO-HUUCEWRRSA-N 1 2 349.479 0.279 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+]([C@@H](C)C(=O)N2CCCCCC2)CC1 ZINC000053423633 436532361 /nfs/dbraw/zinc/53/23/61/436532361.db2.gz BFVFUGXUIROLPE-INIZCTEOSA-N 1 2 336.480 0.697 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)Oc2ccccc2)CC1 ZINC000104007903 436555295 /nfs/dbraw/zinc/55/52/95/436555295.db2.gz PDZFVNQUNAALOA-INIZCTEOSA-N 1 2 343.427 0.738 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)Oc2ccccc2)CC1 ZINC000104007903 436555301 /nfs/dbraw/zinc/55/53/01/436555301.db2.gz PDZFVNQUNAALOA-INIZCTEOSA-N 1 2 343.427 0.738 20 30 ECEDLO C[C@H]([C@H](C)NC(=O)CNC(=O)c1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000104938629 436568265 /nfs/dbraw/zinc/56/82/65/436568265.db2.gz XWLWKLAAHRCCGR-UONOGXRCSA-N 1 2 344.415 0.513 20 30 ECEDLO CCC(CC)[C@@H](CNS(=O)(=O)N(C)CCC#N)[NH+]1CCOCC1 ZINC000105935603 436589122 /nfs/dbraw/zinc/58/91/22/436589122.db2.gz MVEQZWBONJVBET-OAHLLOKOSA-N 1 2 346.497 0.803 20 30 ECEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC000106463200 436596973 /nfs/dbraw/zinc/59/69/73/436596973.db2.gz XCLXVVTXXNVHDZ-GASCZTMLSA-N 1 2 342.447 0.975 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)nc1 ZINC000107566962 436612622 /nfs/dbraw/zinc/61/26/22/436612622.db2.gz YKQYGNHJCOMIBZ-INIZCTEOSA-N 1 2 332.429 0.891 20 30 ECEDLO C=CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000112506465 436633096 /nfs/dbraw/zinc/63/30/96/436633096.db2.gz QZCQCNHQZUYAGH-CQSZACIVSA-N 1 2 346.435 0.767 20 30 ECEDLO C=CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000112506465 436633098 /nfs/dbraw/zinc/63/30/98/436633098.db2.gz QZCQCNHQZUYAGH-CQSZACIVSA-N 1 2 346.435 0.767 20 30 ECEDLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060481725 436633865 /nfs/dbraw/zinc/63/38/65/436633865.db2.gz UJVFPAAAWHMNKY-CQSZACIVSA-N 1 2 329.404 0.323 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC[C@@H]2CCCCO2)CC1 ZINC000112904204 436634390 /nfs/dbraw/zinc/63/43/90/436634390.db2.gz RSDNYZQMZSLYCE-INIZCTEOSA-N 1 2 335.448 0.619 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC[C@@H]2CCCCO2)CC1 ZINC000112904204 436634392 /nfs/dbraw/zinc/63/43/92/436634392.db2.gz RSDNYZQMZSLYCE-INIZCTEOSA-N 1 2 335.448 0.619 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccnc(SC)c2)CC1 ZINC000112904207 436634665 /nfs/dbraw/zinc/63/46/65/436634665.db2.gz CLQOBDSIVSXBSL-UHFFFAOYSA-N 1 2 346.456 0.701 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccnc(SC)c2)CC1 ZINC000112904207 436634666 /nfs/dbraw/zinc/63/46/66/436634666.db2.gz CLQOBDSIVSXBSL-UHFFFAOYSA-N 1 2 346.456 0.701 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCC(n2[nH]cc(C(=O)OCC)c2=N)CC1 ZINC000120712103 436696306 /nfs/dbraw/zinc/69/63/06/436696306.db2.gz IQLINUKOHKSGLI-GFCCVEGCSA-N 1 2 347.419 0.247 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000120780236 436698642 /nfs/dbraw/zinc/69/86/42/436698642.db2.gz JZYDUFVFGKYQMH-AWEZNQCLSA-N 1 2 346.406 0.520 20 30 ECEDLO C=CCNC(=O)CNC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000272060434 436702551 /nfs/dbraw/zinc/70/25/51/436702551.db2.gz ZOZSPWOSKKFEDZ-UHFFFAOYSA-N 1 2 339.465 0.497 20 30 ECEDLO C=CCCS(=O)(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000119762080 436670870 /nfs/dbraw/zinc/67/08/70/436670870.db2.gz ISBGMRJUYOEAER-UHFFFAOYSA-N 1 2 325.438 0.094 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Cc1cccc(OCC#N)c1 ZINC000270475631 436675041 /nfs/dbraw/zinc/67/50/41/436675041.db2.gz HZYBKXCTVKGURW-INIZCTEOSA-N 1 2 347.415 0.283 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000272798138 436722590 /nfs/dbraw/zinc/72/25/90/436722590.db2.gz CUQXEOCBQHDUFC-GFCCVEGCSA-N 1 2 329.422 0.782 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cnc3nc(C)cc(C)n23)CC1 ZINC000122230808 436734474 /nfs/dbraw/zinc/73/44/74/436734474.db2.gz DPFFIPJEZIVLIF-UHFFFAOYSA-N 1 2 342.447 0.766 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2cnc3nc(C)cc(C)n23)CC1 ZINC000122230808 436734477 /nfs/dbraw/zinc/73/44/77/436734477.db2.gz DPFFIPJEZIVLIF-UHFFFAOYSA-N 1 2 342.447 0.766 20 30 ECEDLO C=C(C)C[N@@H+](C)CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000245543446 436764887 /nfs/dbraw/zinc/76/48/87/436764887.db2.gz KRSONDZCGDHDMD-GJZGRUSLSA-N 1 2 344.477 0.689 20 30 ECEDLO C=C(C)C[N@H+](C)CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000245543446 436764889 /nfs/dbraw/zinc/76/48/89/436764889.db2.gz KRSONDZCGDHDMD-GJZGRUSLSA-N 1 2 344.477 0.689 20 30 ECEDLO C[C@H](CC#N)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000156034143 436808494 /nfs/dbraw/zinc/80/84/94/436808494.db2.gz KTZMKFNWADJMFG-CQSZACIVSA-N 1 2 329.404 0.929 20 30 ECEDLO CC#CCC[NH+]1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000156537486 436817739 /nfs/dbraw/zinc/81/77/39/436817739.db2.gz LGXOHZZYWQBRRH-UHFFFAOYSA-N 1 2 325.390 0.098 20 30 ECEDLO CNC(=O)C1CC[NH+](CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000156637612 436819684 /nfs/dbraw/zinc/81/96/84/436819684.db2.gz WYZUZILZQKYQGT-UHFFFAOYSA-N 1 2 335.429 0.790 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000273583724 436768392 /nfs/dbraw/zinc/76/83/92/436768392.db2.gz FATQXSCQENXHHV-ZDUSSCGKSA-N 1 2 334.399 0.746 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000273587920 436768862 /nfs/dbraw/zinc/76/88/62/436768862.db2.gz FTMBENHUSPVIGF-NSHDSACASA-N 1 2 336.371 0.138 20 30 ECEDLO COCCNC(=O)C[NH+]1CCN(Cc2cc(F)ccc2C#N)CC1 ZINC000158267337 436843699 /nfs/dbraw/zinc/84/36/99/436843699.db2.gz CFIQINZDRRJQHZ-UHFFFAOYSA-N 1 2 334.395 0.578 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000279961750 436852892 /nfs/dbraw/zinc/85/28/92/436852892.db2.gz YJCSOQLCRXOZSH-BCUIYNNISA-N 1 2 325.409 0.655 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000279961750 436852896 /nfs/dbraw/zinc/85/28/96/436852896.db2.gz YJCSOQLCRXOZSH-BCUIYNNISA-N 1 2 325.409 0.655 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000249740872 436826923 /nfs/dbraw/zinc/82/69/23/436826923.db2.gz XVGDBXGKXMWOHK-CHWSQXEVSA-N 1 2 330.454 0.008 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000249740872 436826925 /nfs/dbraw/zinc/82/69/25/436826925.db2.gz XVGDBXGKXMWOHK-CHWSQXEVSA-N 1 2 330.454 0.008 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2C(N)=O)C1=O ZINC000281339755 436962688 /nfs/dbraw/zinc/96/26/88/436962688.db2.gz MKGAJHFDOZKNOV-CQSZACIVSA-N 1 2 330.388 0.443 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2C(N)=O)C1=O ZINC000281339755 436962691 /nfs/dbraw/zinc/96/26/91/436962691.db2.gz MKGAJHFDOZKNOV-CQSZACIVSA-N 1 2 330.388 0.443 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cccc3c2OCCO3)CC1 ZINC000263667893 436974488 /nfs/dbraw/zinc/97/44/88/436974488.db2.gz IXGJDVZJDWFXTN-UHFFFAOYSA-N 1 2 336.413 0.787 20 30 ECEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000275497416 436976165 /nfs/dbraw/zinc/97/61/65/436976165.db2.gz GMQXKOWUUXJZGT-BMFZPTHFSA-N 1 2 334.372 0.296 20 30 ECEDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000275497416 436976169 /nfs/dbraw/zinc/97/61/69/436976169.db2.gz GMQXKOWUUXJZGT-BMFZPTHFSA-N 1 2 334.372 0.296 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000283099792 437024535 /nfs/dbraw/zinc/02/45/35/437024535.db2.gz XDYBIWLILWSFPT-CQSZACIVSA-N 1 2 337.449 0.678 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)C1=O ZINC000298074798 437025193 /nfs/dbraw/zinc/02/51/93/437025193.db2.gz LFOXIAMPRPRUNA-CQSZACIVSA-N 1 2 331.376 0.899 20 30 ECEDLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1ccc(C#N)c(OC)c1 ZINC000282510817 437014654 /nfs/dbraw/zinc/01/46/54/437014654.db2.gz YYHCHKQRAQAMRG-UHFFFAOYSA-N 1 2 347.415 0.874 20 30 ECEDLO CC(C)OCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 ZINC000173528888 437053841 /nfs/dbraw/zinc/05/38/41/437053841.db2.gz MSAALBUVZFBWJL-UHFFFAOYSA-N 1 2 338.433 0.685 20 30 ECEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccccc2OCC#N)CC1 ZINC000299278097 437065520 /nfs/dbraw/zinc/06/55/20/437065520.db2.gz LNMNXCIRGDKOHO-UHFFFAOYSA-N 1 2 344.415 0.873 20 30 ECEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccccc2OCC#N)CC1 ZINC000299278097 437065523 /nfs/dbraw/zinc/06/55/23/437065523.db2.gz LNMNXCIRGDKOHO-UHFFFAOYSA-N 1 2 344.415 0.873 20 30 ECEDLO COC(=O)c1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)nc1 ZINC000299485414 437082415 /nfs/dbraw/zinc/08/24/15/437082415.db2.gz AUGIBIYUUYIBAG-UHFFFAOYSA-N 1 2 346.387 0.556 20 30 ECEDLO CN1C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)CC[C@@H]21 ZINC000285721254 437081246 /nfs/dbraw/zinc/08/12/46/437081246.db2.gz JUKSEHCFPBUPBH-FRRDWIJNSA-N 1 2 345.428 0.823 20 30 ECEDLO CN1C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)CC[C@@H]21 ZINC000285721254 437081249 /nfs/dbraw/zinc/08/12/49/437081249.db2.gz JUKSEHCFPBUPBH-FRRDWIJNSA-N 1 2 345.428 0.823 20 30 ECEDLO C=CCSCCNC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000286560891 437101723 /nfs/dbraw/zinc/10/17/23/437101723.db2.gz SGBBOZWNKULQHF-CHWSQXEVSA-N 1 2 329.466 0.247 20 30 ECEDLO C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000175979682 437125822 /nfs/dbraw/zinc/12/58/22/437125822.db2.gz AUMOVGCYMYOIIA-RYUDHWBXSA-N 1 2 348.378 0.861 20 30 ECEDLO Cc1ncc(C[NH+]2CCN(C(=O)Cn3cnc(C#N)n3)CC2)s1 ZINC000331876610 437173575 /nfs/dbraw/zinc/17/35/75/437173575.db2.gz UKYBHGSNBBFPNE-UHFFFAOYSA-N 1 2 331.405 0.259 20 30 ECEDLO C#CCNc1nc(N(C)CC(C)(C)O)nc(N(C)CC(C)(C)O)[nH+]1 ZINC000287493212 437195650 /nfs/dbraw/zinc/19/56/50/437195650.db2.gz YHPLVWBEBMMWRA-UHFFFAOYSA-N 1 2 336.440 0.331 20 30 ECEDLO C#CCNc1nc(N(C)CC(C)(C)O)[nH+]c(N(C)CC(C)(C)O)n1 ZINC000287493212 437195654 /nfs/dbraw/zinc/19/56/54/437195654.db2.gz YHPLVWBEBMMWRA-UHFFFAOYSA-N 1 2 336.440 0.331 20 30 ECEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000178417813 437214265 /nfs/dbraw/zinc/21/42/65/437214265.db2.gz CMXBGHUDZOAYOV-LBPRGKRZSA-N 1 2 330.388 0.642 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179511654 437266099 /nfs/dbraw/zinc/26/60/99/437266099.db2.gz HCCQYAZNPNBPDW-LBPRGKRZSA-N 1 2 332.408 0.873 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179511654 437266102 /nfs/dbraw/zinc/26/61/02/437266102.db2.gz HCCQYAZNPNBPDW-LBPRGKRZSA-N 1 2 332.408 0.873 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000266015724 437219506 /nfs/dbraw/zinc/21/95/06/437219506.db2.gz OJYDCWYYCBQZQQ-GFCCVEGCSA-N 1 2 329.429 0.951 20 30 ECEDLO CS(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000323805346 437225216 /nfs/dbraw/zinc/22/52/16/437225216.db2.gz HQZKGXKDGXYBQN-HUUCEWRRSA-N 1 2 338.429 0.807 20 30 ECEDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000323805346 437225221 /nfs/dbraw/zinc/22/52/21/437225221.db2.gz HQZKGXKDGXYBQN-HUUCEWRRSA-N 1 2 338.429 0.807 20 30 ECEDLO CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC(C#N)([NH+](C)C)CC1)CC2 ZINC000332605438 437235904 /nfs/dbraw/zinc/23/59/04/437235904.db2.gz DRFNVBFOKOZJLM-ZDUSSCGKSA-N 1 2 345.451 0.785 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)C[C@H](C)[N@H+]1CCO ZINC000333120070 437260255 /nfs/dbraw/zinc/26/02/55/437260255.db2.gz UWQUILQOFRMHBE-OKILXGFUSA-N 1 2 329.466 0.787 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)C[C@H](C)[N@@H+]1CCO ZINC000333120070 437260258 /nfs/dbraw/zinc/26/02/58/437260258.db2.gz UWQUILQOFRMHBE-OKILXGFUSA-N 1 2 329.466 0.787 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000329102796 437319494 /nfs/dbraw/zinc/31/94/94/437319494.db2.gz FTOSQYKRTHMIGD-IIAWOOMASA-N 1 2 327.425 0.549 20 30 ECEDLO COc1cccc(C(=O)NCC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000328927338 437287177 /nfs/dbraw/zinc/28/71/77/437287177.db2.gz WZUZOXZJPGBFEO-HOTGVXAUSA-N 1 2 347.415 0.931 20 30 ECEDLO COc1cccc(C(=O)NCC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000328927338 437287183 /nfs/dbraw/zinc/28/71/83/437287183.db2.gz WZUZOXZJPGBFEO-HOTGVXAUSA-N 1 2 347.415 0.931 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000328945353 437289927 /nfs/dbraw/zinc/28/99/27/437289927.db2.gz AVYDTNUDNRWVDA-QKPAOTATSA-N 1 2 341.452 0.483 20 30 ECEDLO O=C(Cn1ccccc1=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000328952433 437292227 /nfs/dbraw/zinc/29/22/27/437292227.db2.gz XPUYTQZONQQSOO-UHFFFAOYSA-N 1 2 346.431 0.749 20 30 ECEDLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000328999848 437301495 /nfs/dbraw/zinc/30/14/95/437301495.db2.gz GNDQJALXIPILJL-RTXFEEFZSA-N 1 2 337.424 0.255 20 30 ECEDLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000328999848 437301500 /nfs/dbraw/zinc/30/15/00/437301500.db2.gz GNDQJALXIPILJL-RTXFEEFZSA-N 1 2 337.424 0.255 20 30 ECEDLO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000329261976 437342935 /nfs/dbraw/zinc/34/29/35/437342935.db2.gz DDNUYCHCUIQCTB-VIRABCJISA-N 1 2 339.436 0.281 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1cccc2c1OCO2 ZINC000329321103 437351374 /nfs/dbraw/zinc/35/13/74/437351374.db2.gz GNZFECTYFPPXDH-LBPRGKRZSA-N 1 2 337.376 0.586 20 30 ECEDLO O=C(CN1CCN(Cc2[nH]cc[nH+]2)CC1)NCC(=O)N1CCCC1 ZINC000329339375 437355213 /nfs/dbraw/zinc/35/52/13/437355213.db2.gz NQGRIEGSDGOSPS-UHFFFAOYSA-N 1 2 334.424 0.106 20 30 ECEDLO CC(C)[C@H](NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)c1nncn1C ZINC000329382788 437359246 /nfs/dbraw/zinc/35/92/46/437359246.db2.gz QWTADTCYDYHQHW-RDBSUJKOSA-N 1 2 336.440 0.831 20 30 ECEDLO CC(C)[C@H](NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)c1nncn1C ZINC000329382788 437359247 /nfs/dbraw/zinc/35/92/47/437359247.db2.gz QWTADTCYDYHQHW-RDBSUJKOSA-N 1 2 336.440 0.831 20 30 ECEDLO C#Cc1cccc(NC(=O)C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000288848172 437362321 /nfs/dbraw/zinc/36/23/21/437362321.db2.gz DTYRGNXKDAJJEJ-WMLDXEAASA-N 1 2 341.411 0.928 20 30 ECEDLO Cc1ccc2c(c1)C(=O)N(CC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)C2=O ZINC000329402718 437364495 /nfs/dbraw/zinc/36/44/95/437364495.db2.gz ZMTYUMPSDZCTOP-CYBMUJFWSA-N 1 2 344.415 0.793 20 30 ECEDLO Cc1ccc2c(c1)C(=O)N(CC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)C2=O ZINC000329402718 437364498 /nfs/dbraw/zinc/36/44/98/437364498.db2.gz ZMTYUMPSDZCTOP-CYBMUJFWSA-N 1 2 344.415 0.793 20 30 ECEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccn(CCC#N)n1 ZINC000329504557 437375612 /nfs/dbraw/zinc/37/56/12/437375612.db2.gz ZFRDMHKOAZTGMH-ZIAGYGMSSA-N 1 2 332.408 1.124 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000337082611 437328610 /nfs/dbraw/zinc/32/86/10/437328610.db2.gz ZSPISMPAVYVOKZ-AWEZNQCLSA-N 1 2 330.454 0.263 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCN(CC(=O)N3CCCCCC3)CC2)C1=O ZINC000337121965 437334279 /nfs/dbraw/zinc/33/42/79/437334279.db2.gz AIRFCYOSONYYTA-KRWDZBQOSA-N 1 2 348.491 0.794 20 30 ECEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(Cc3nnnn3C)CC2)C1 ZINC000329217966 437335145 /nfs/dbraw/zinc/33/51/45/437335145.db2.gz RDPZOIQSWMNIKE-KGLIPLIRSA-N 1 2 335.456 0.863 20 30 ECEDLO C[C@H](CNC(=O)N1CC[C@H](C(=O)N2CCCC2)C1)[NH+]1CCOCC1 ZINC000329217039 437335178 /nfs/dbraw/zinc/33/51/78/437335178.db2.gz PMDSOQWDLLHOBT-CABCVRRESA-N 1 2 338.452 0.565 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N(C)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000337157447 437336224 /nfs/dbraw/zinc/33/62/24/437336224.db2.gz PWPACDMUYIDIPN-RDBSUJKOSA-N 1 2 332.470 0.364 20 30 ECEDLO Cn1ccnc(N2CCC[C@@H](NC(=O)NCCn3cc[nH+]c3)C2)c1=O ZINC000329240457 437339010 /nfs/dbraw/zinc/33/90/10/437339010.db2.gz QYTQSEOOTZIHGK-CYBMUJFWSA-N 1 2 345.407 0.149 20 30 ECEDLO Cn1ccnc(N2CCC[C@@H](NC([O-])=[NH+]CCn3cc[nH+]c3)C2)c1=O ZINC000329240457 437339015 /nfs/dbraw/zinc/33/90/15/437339015.db2.gz QYTQSEOOTZIHGK-CYBMUJFWSA-N 1 2 345.407 0.149 20 30 ECEDLO O=C(N[C@H]1CCCS(=O)(=O)C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000329730242 437406142 /nfs/dbraw/zinc/40/61/42/437406142.db2.gz DCRWLQIAJOIMNR-KGLIPLIRSA-N 1 2 345.465 0.132 20 30 ECEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCc3cnnn3C)cn2)n1 ZINC000289414302 437406980 /nfs/dbraw/zinc/40/69/80/437406980.db2.gz PUYHATFNYMSJDI-UHFFFAOYSA-N 1 2 326.364 0.850 20 30 ECEDLO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CCCS(=O)(=O)C2)C1 ZINC000329792364 437413017 /nfs/dbraw/zinc/41/30/17/437413017.db2.gz VCIYTSLPDMVHAE-UONOGXRCSA-N 1 2 347.481 0.424 20 30 ECEDLO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2CCCS(=O)(=O)C2)C1 ZINC000329792364 437413021 /nfs/dbraw/zinc/41/30/21/437413021.db2.gz VCIYTSLPDMVHAE-UONOGXRCSA-N 1 2 347.481 0.424 20 30 ECEDLO Cc1cc(N2CC[C@@H](NC(=O)NCc3[nH+]ccn3C)C2=O)n(C)n1 ZINC000329809319 437415859 /nfs/dbraw/zinc/41/58/59/437415859.db2.gz QBQCBLBUYOLBCL-LLVKDONJSA-N 1 2 331.380 0.271 20 30 ECEDLO O=C(NCCN1C(=O)CCC1=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329872833 437423088 /nfs/dbraw/zinc/42/30/88/437423088.db2.gz BSLVBMBMYYJVNI-CYBMUJFWSA-N 1 2 332.360 0.598 20 30 ECEDLO CN1CCO[C@@H]2CN(C(=O)NCC[N@@H+]3CCOCC3(C)C)C[C@H]21 ZINC000329896217 437427851 /nfs/dbraw/zinc/42/78/51/437427851.db2.gz CJNGEQCQTDGIHB-ZIAGYGMSSA-N 1 2 326.441 0.026 20 30 ECEDLO CN1CCO[C@@H]2CN(C(=O)NCC[N@H+]3CCOCC3(C)C)C[C@H]21 ZINC000329896217 437427854 /nfs/dbraw/zinc/42/78/54/437427854.db2.gz CJNGEQCQTDGIHB-ZIAGYGMSSA-N 1 2 326.441 0.026 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc2n[nH]nc21 ZINC000183520164 437385584 /nfs/dbraw/zinc/38/55/84/437385584.db2.gz TVFZGBYAEZQORK-UHFFFAOYSA-N 1 2 328.376 0.646 20 30 ECEDLO C[C@H](NC(=O)NCc1nc(N(C)C)no1)[C@H](C)[NH+]1CCOCC1 ZINC000329631438 437393486 /nfs/dbraw/zinc/39/34/86/437393486.db2.gz VVTITDXXVIEALV-QWRGUYRKSA-N 1 2 326.401 0.248 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCCn3cnc4ccccc43)C[C@@H]21 ZINC000329691613 437401658 /nfs/dbraw/zinc/40/16/58/437401658.db2.gz ZRJSIPPXGFIEPS-JKSUJKDBSA-N 1 2 329.404 0.965 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCCn3cnc4ccccc43)C[C@@H]21 ZINC000329691613 437401660 /nfs/dbraw/zinc/40/16/60/437401660.db2.gz ZRJSIPPXGFIEPS-JKSUJKDBSA-N 1 2 329.404 0.965 20 30 ECEDLO CO[C@@]1(CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)CCOC1 ZINC000329697874 437402135 /nfs/dbraw/zinc/40/21/35/437402135.db2.gz CMBSZJYLOCABTC-QGZVFWFLSA-N 1 2 334.420 0.966 20 30 ECEDLO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000330209863 437470028 /nfs/dbraw/zinc/47/00/28/437470028.db2.gz CADDYPPSQUGWIA-OSRDXIQISA-N 1 2 339.436 0.424 20 30 ECEDLO Cc1nnsc1CNC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000330269351 437478381 /nfs/dbraw/zinc/47/83/81/437478381.db2.gz RXRAMQRDGCTNEY-NSHDSACASA-N 1 2 335.437 0.983 20 30 ECEDLO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000330306670 437481745 /nfs/dbraw/zinc/48/17/45/437481745.db2.gz ROZWTXOJRFCZLV-CYBMUJFWSA-N 1 2 332.408 0.858 20 30 ECEDLO C[C@@H]1CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC[S@](=O)C1 ZINC000330336400 437485133 /nfs/dbraw/zinc/48/51/33/437485133.db2.gz SKAHZLRHGXQXGT-FATZIPQQSA-N 1 2 345.509 0.754 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cccc(N4CCNC4=O)c3)C[C@@H]21 ZINC000329936613 437433765 /nfs/dbraw/zinc/43/37/65/437433765.db2.gz LCTPNHSESSDNQJ-LSDHHAIUSA-N 1 2 345.403 0.981 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cccc(N4CCNC4=O)c3)C[C@@H]21 ZINC000329936613 437433768 /nfs/dbraw/zinc/43/37/68/437433768.db2.gz LCTPNHSESSDNQJ-LSDHHAIUSA-N 1 2 345.403 0.981 20 30 ECEDLO CCN1CCN(C(=O)NCC(=O)N2CCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330002511 437443979 /nfs/dbraw/zinc/44/39/79/437443979.db2.gz YWYXYLZHIBZGHQ-CYBMUJFWSA-N 1 2 334.424 0.625 20 30 ECEDLO CC(C)(CNC(=O)N1CC[C@H](N2CCCC2=O)C1)[NH+]1CCOCC1 ZINC000330041609 437447389 /nfs/dbraw/zinc/44/73/89/437447389.db2.gz DFANOZYMELLRLP-AWEZNQCLSA-N 1 2 338.452 0.708 20 30 ECEDLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(CCC#N)Cc1ccco1 ZINC000339258744 437450307 /nfs/dbraw/zinc/45/03/07/437450307.db2.gz VUVIOQKHMTWRSD-HNNXBMFYSA-N 1 2 329.360 0.992 20 30 ECEDLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(CCC#N)Cc1ccco1 ZINC000339258744 437450310 /nfs/dbraw/zinc/45/03/10/437450310.db2.gz VUVIOQKHMTWRSD-HNNXBMFYSA-N 1 2 329.360 0.992 20 30 ECEDLO COC[C@H](C(N)=O)[N@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000339352830 437460556 /nfs/dbraw/zinc/46/05/56/437460556.db2.gz DLTUFVADMCMIQS-HUUCEWRRSA-N 1 2 330.388 0.486 20 30 ECEDLO COC[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000339352830 437460559 /nfs/dbraw/zinc/46/05/59/437460559.db2.gz DLTUFVADMCMIQS-HUUCEWRRSA-N 1 2 330.388 0.486 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000290078078 437461237 /nfs/dbraw/zinc/46/12/37/437461237.db2.gz GPGJGIMDRORIBV-CQSZACIVSA-N 1 2 336.367 0.854 20 30 ECEDLO Cc1ncc(S(=O)(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1C#N ZINC000330169846 437462849 /nfs/dbraw/zinc/46/28/49/437462849.db2.gz BPGFUZMSMSDWHK-UHFFFAOYSA-N 1 2 346.416 0.491 20 30 ECEDLO Cc1cc(N2CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)n[nH]1 ZINC000187205640 437495183 /nfs/dbraw/zinc/49/51/83/437495183.db2.gz YJEOEPURCYPTRD-UHFFFAOYSA-N 1 2 329.408 0.496 20 30 ECEDLO CC1(C)C[N@H+](CCNC(=O)c2csc(S(N)(=O)=O)c2)CCO1 ZINC000330389082 437497243 /nfs/dbraw/zinc/49/72/43/437497243.db2.gz DKTHQRBMZFAIMK-UHFFFAOYSA-N 1 2 347.462 0.811 20 30 ECEDLO CC1(C)C[N@@H+](CCNC(=O)c2csc(S(N)(=O)=O)c2)CCO1 ZINC000330389082 437497248 /nfs/dbraw/zinc/49/72/48/437497248.db2.gz DKTHQRBMZFAIMK-UHFFFAOYSA-N 1 2 347.462 0.811 20 30 ECEDLO COC(=O)[C@H](C)C[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290536757 437500312 /nfs/dbraw/zinc/50/03/12/437500312.db2.gz ZOZQZZHVXWOGHI-LLVKDONJSA-N 1 2 325.390 0.468 20 30 ECEDLO COC(=O)[C@H](C)C[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290536757 437500313 /nfs/dbraw/zinc/50/03/13/437500313.db2.gz ZOZQZZHVXWOGHI-LLVKDONJSA-N 1 2 325.390 0.468 20 30 ECEDLO Cc1c(C(=O)N[C@H](C)C[NH+]2CCOCC2)cccc1S(N)(=O)=O ZINC000330417564 437505221 /nfs/dbraw/zinc/50/52/21/437505221.db2.gz DAAIYIXTUWJXQM-LLVKDONJSA-N 1 2 341.433 0.668 20 30 ECEDLO CC[C@@H]1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC[N@@H+]1CCOC ZINC000330416460 437505619 /nfs/dbraw/zinc/50/56/19/437505619.db2.gz OLNFNIZCBUMJJN-UONOGXRCSA-N 1 2 332.470 0.508 20 30 ECEDLO CC[C@@H]1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC[N@H+]1CCOC ZINC000330416460 437505626 /nfs/dbraw/zinc/50/56/26/437505626.db2.gz OLNFNIZCBUMJJN-UONOGXRCSA-N 1 2 332.470 0.508 20 30 ECEDLO N#C[C@@H]1CCC[C@@H]1NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000360050191 437510545 /nfs/dbraw/zinc/51/05/45/437510545.db2.gz JSGGGQLDOXLFGZ-GJZGRUSLSA-N 1 2 343.435 0.590 20 30 ECEDLO C=C(C)CN(C)C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000339989486 437542356 /nfs/dbraw/zinc/54/23/56/437542356.db2.gz OYPWWBHTKVGFIK-OAHLLOKOSA-N 1 2 325.453 0.884 20 30 ECEDLO C[C@@H]1COCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000330359189 437489391 /nfs/dbraw/zinc/48/93/91/437489391.db2.gz VTLWMUSOVKPDRO-KFWWJZLASA-N 1 2 339.436 0.549 20 30 ECEDLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000360256053 437565957 /nfs/dbraw/zinc/56/59/57/437565957.db2.gz DTQGVSRDQBIGQT-AWEZNQCLSA-N 1 2 340.424 0.363 20 30 ECEDLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000360256053 437565961 /nfs/dbraw/zinc/56/59/61/437565961.db2.gz DTQGVSRDQBIGQT-AWEZNQCLSA-N 1 2 340.424 0.363 20 30 ECEDLO COCCn1nc(C)c(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1C ZINC000330657960 437581725 /nfs/dbraw/zinc/58/17/25/437581725.db2.gz OTKYEMJGMKQMKZ-CYBMUJFWSA-N 1 2 325.413 0.803 20 30 ECEDLO COCCn1nc(C)c(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1C ZINC000330657960 437581728 /nfs/dbraw/zinc/58/17/28/437581728.db2.gz OTKYEMJGMKQMKZ-CYBMUJFWSA-N 1 2 325.413 0.803 20 30 ECEDLO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc(CS(C)(=O)=O)cc2)C1 ZINC000330847581 437632364 /nfs/dbraw/zinc/63/23/64/437632364.db2.gz PGHNCNJJBWGWCS-AWEZNQCLSA-N 1 2 341.433 0.888 20 30 ECEDLO C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccc(CS(C)(=O)=O)cc2)C1 ZINC000330847581 437632370 /nfs/dbraw/zinc/63/23/70/437632370.db2.gz PGHNCNJJBWGWCS-AWEZNQCLSA-N 1 2 341.433 0.888 20 30 ECEDLO COCCC[N@H+](Cc1cc(C#N)n(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000191188088 437650337 /nfs/dbraw/zinc/65/03/37/437650337.db2.gz ORQODLBJQRDECJ-CQSZACIVSA-N 1 2 325.434 0.922 20 30 ECEDLO COCCC[N@@H+](Cc1cc(C#N)n(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000191188088 437650340 /nfs/dbraw/zinc/65/03/40/437650340.db2.gz ORQODLBJQRDECJ-CQSZACIVSA-N 1 2 325.434 0.922 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)NCCCCC#N)C1=O ZINC000361116703 437656977 /nfs/dbraw/zinc/65/69/77/437656977.db2.gz VJRCIBUOYNQOKG-ZDUSSCGKSA-N 1 2 332.408 0.904 20 30 ECEDLO COC(=O)c1cn([C@@H]2CC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)nn1 ZINC000355034927 437664836 /nfs/dbraw/zinc/66/48/36/437664836.db2.gz LPCSXVIBGXUKCF-WBMJQRKESA-N 1 2 346.391 0.120 20 30 ECEDLO COC(=O)c1cn([C@@H]2CC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)nn1 ZINC000355034927 437664840 /nfs/dbraw/zinc/66/48/40/437664840.db2.gz LPCSXVIBGXUKCF-WBMJQRKESA-N 1 2 346.391 0.120 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000355112873 437670965 /nfs/dbraw/zinc/67/09/65/437670965.db2.gz ZWUJSEALVWEAHX-HACGYAERSA-N 1 2 335.452 0.965 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000355112873 437670968 /nfs/dbraw/zinc/67/09/68/437670968.db2.gz ZWUJSEALVWEAHX-HACGYAERSA-N 1 2 335.452 0.965 20 30 ECEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292350064 437683726 /nfs/dbraw/zinc/68/37/26/437683726.db2.gz XJMLORODYQMEOK-AWEZNQCLSA-N 1 2 336.417 0.462 20 30 ECEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292350064 437683729 /nfs/dbraw/zinc/68/37/29/437683729.db2.gz XJMLORODYQMEOK-AWEZNQCLSA-N 1 2 336.417 0.462 20 30 ECEDLO N#CCCN(CCC(=O)Nc1cccnc1)CC[NH+]1CCOCC1 ZINC000361824371 437692522 /nfs/dbraw/zinc/69/25/22/437692522.db2.gz CPODBWHSQWRBRZ-UHFFFAOYSA-N 1 2 331.420 0.958 20 30 ECEDLO N#CCC[N@@H+](CCC(=O)Nc1cccnc1)CCN1CCOCC1 ZINC000361824371 437692524 /nfs/dbraw/zinc/69/25/24/437692524.db2.gz CPODBWHSQWRBRZ-UHFFFAOYSA-N 1 2 331.420 0.958 20 30 ECEDLO N#CCC[N@H+](CCC(=O)Nc1cccnc1)CCN1CCOCC1 ZINC000361824371 437692529 /nfs/dbraw/zinc/69/25/29/437692529.db2.gz CPODBWHSQWRBRZ-UHFFFAOYSA-N 1 2 331.420 0.958 20 30 ECEDLO C=C(C)CN(C)C(=O)C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000341011403 437774425 /nfs/dbraw/zinc/77/44/25/437774425.db2.gz WHJBCFXURPEHIL-ZDUSSCGKSA-N 1 2 347.419 0.062 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000331322925 437740042 /nfs/dbraw/zinc/74/00/42/437740042.db2.gz LWYQYIUXWIOWMJ-HOTGVXAUSA-N 1 2 349.479 0.375 20 30 ECEDLO Cn1cc[nH+]c1CN1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1 ZINC000331339456 437742523 /nfs/dbraw/zinc/74/25/23/437742523.db2.gz RTTHTYNHMXBGPE-UHFFFAOYSA-N 1 2 339.465 0.807 20 30 ECEDLO N#Cc1ccncc1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000345137034 437781893 /nfs/dbraw/zinc/78/18/93/437781893.db2.gz CHCCHQYTVJUDKT-MRXNPFEDSA-N 1 2 332.429 0.891 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000363681278 437803945 /nfs/dbraw/zinc/80/39/45/437803945.db2.gz ZPQWOPHSNRVFRG-CQSZACIVSA-N 1 2 331.420 0.923 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000363681278 437803948 /nfs/dbraw/zinc/80/39/48/437803948.db2.gz ZPQWOPHSNRVFRG-CQSZACIVSA-N 1 2 331.420 0.923 20 30 ECEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346450893 437810464 /nfs/dbraw/zinc/81/04/64/437810464.db2.gz XXOXMERUFBNQDS-CHWSQXEVSA-N 1 2 342.465 0.339 20 30 ECEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346450893 437810465 /nfs/dbraw/zinc/81/04/65/437810465.db2.gz XXOXMERUFBNQDS-CHWSQXEVSA-N 1 2 342.465 0.339 20 30 ECEDLO C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCc3[nH+]ccn3C2)n1 ZINC000364178907 437812999 /nfs/dbraw/zinc/81/29/99/437812999.db2.gz GTAAEPFWSTUMKA-HNNXBMFYSA-N 1 2 341.415 0.950 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](c2ccnc(COC)n2)C1 ZINC000364358058 437814674 /nfs/dbraw/zinc/81/46/74/437814674.db2.gz IRBAVSOMVMRBBK-ZDUSSCGKSA-N 1 2 347.419 0.814 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2ccnc(COC)n2)C1 ZINC000364358058 437814679 /nfs/dbraw/zinc/81/46/79/437814679.db2.gz IRBAVSOMVMRBBK-ZDUSSCGKSA-N 1 2 347.419 0.814 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000341463758 437848289 /nfs/dbraw/zinc/84/82/89/437848289.db2.gz VAQRSBIYKSSPBT-UHFFFAOYSA-N 1 2 347.375 0.118 20 30 ECEDLO C=CC[C@@H](CO)CNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000341698649 437888868 /nfs/dbraw/zinc/88/88/68/437888868.db2.gz WPYNLDGEVVKBCI-CQSZACIVSA-N 1 2 337.424 0.521 20 30 ECEDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)CC[N@H+](C)C1 ZINC000416597572 437968808 /nfs/dbraw/zinc/96/88/08/437968808.db2.gz YVAQTDVDKXMUIO-ZDUSSCGKSA-N 1 2 337.401 0.284 20 30 ECEDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)CC[N@@H+](C)C1 ZINC000416597572 437968813 /nfs/dbraw/zinc/96/88/13/437968813.db2.gz YVAQTDVDKXMUIO-ZDUSSCGKSA-N 1 2 337.401 0.284 20 30 ECEDLO COC(=O)[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)C[NH2+]1 ZINC000365807177 437975803 /nfs/dbraw/zinc/97/58/03/437975803.db2.gz SWPJNAMOBPOWMY-JOYOIKCWSA-N 1 2 343.792 0.393 20 30 ECEDLO N#Cc1c2c(cnc1NCC[NH+]1CCN(c3ncccn3)CC1)CCC2 ZINC000425206923 438018624 /nfs/dbraw/zinc/01/86/24/438018624.db2.gz LPIHLMAREFZYPQ-UHFFFAOYSA-N 1 2 349.442 1.466 20 30 ECEDLO COCc1cc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)ncn1 ZINC000357703149 438046670 /nfs/dbraw/zinc/04/66/70/438046670.db2.gz ZRHCOLORQLBHGJ-UHFFFAOYSA-N 1 2 348.407 0.703 20 30 ECEDLO C=CCOc1cccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000427412709 438080140 /nfs/dbraw/zinc/08/01/40/438080140.db2.gz JTGZIOAZFCYSBO-CQSZACIVSA-N 1 2 347.415 0.715 20 30 ECEDLO CC(C)NC(=O)C(=O)N1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000342699205 438052024 /nfs/dbraw/zinc/05/20/24/438052024.db2.gz VQRDEKVXXRTYCA-UHFFFAOYSA-N 1 2 328.416 0.921 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417718321 438071062 /nfs/dbraw/zinc/07/10/62/438071062.db2.gz HFXYGRJKQQOBAC-UHFFFAOYSA-N 1 2 344.459 0.808 20 30 ECEDLO C=CC[C@@H](C(=O)NCC(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000427005072 438075769 /nfs/dbraw/zinc/07/57/69/438075769.db2.gz OBWMYSIFTDAQBY-QGZVFWFLSA-N 1 2 345.443 0.911 20 30 ECEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370355 438077493 /nfs/dbraw/zinc/07/74/93/438077493.db2.gz QPVXEBFTSKRWAP-MJGOQNOKSA-N 1 2 347.507 0.895 20 30 ECEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000348583097 438077983 /nfs/dbraw/zinc/07/79/83/438077983.db2.gz WJQNSJMWBOIXNY-DOMZBBRYSA-N 1 2 325.434 0.775 20 30 ECEDLO COC(=O)C[C@@H]1CSCC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000348583097 438077989 /nfs/dbraw/zinc/07/79/89/438077989.db2.gz WJQNSJMWBOIXNY-DOMZBBRYSA-N 1 2 325.434 0.775 20 30 ECEDLO C=CCOc1cccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000427412709 438080134 /nfs/dbraw/zinc/08/01/34/438080134.db2.gz JTGZIOAZFCYSBO-CQSZACIVSA-N 1 2 347.415 0.715 20 30 ECEDLO C=C[C@@](C)(CCOC)C(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000372673562 438108054 /nfs/dbraw/zinc/10/80/54/438108054.db2.gz IZUNMXKVYBSUFA-KRWDZBQOSA-N 1 2 325.453 0.886 20 30 ECEDLO C=C[C@@](C)(CCOC)C(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000372673562 438108058 /nfs/dbraw/zinc/10/80/58/438108058.db2.gz IZUNMXKVYBSUFA-KRWDZBQOSA-N 1 2 325.453 0.886 20 30 ECEDLO C#CCN(CC#N)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000366868676 438139672 /nfs/dbraw/zinc/13/96/72/438139672.db2.gz ZKQXYIWQOQJQIX-SFHVURJKSA-N 1 2 340.427 0.462 20 30 ECEDLO C#CCN(CC#N)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000366868676 438139675 /nfs/dbraw/zinc/13/96/75/438139675.db2.gz ZKQXYIWQOQJQIX-SFHVURJKSA-N 1 2 340.427 0.462 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000367166880 438175588 /nfs/dbraw/zinc/17/55/88/438175588.db2.gz WWXSPXMPTWDONG-LBPRGKRZSA-N 1 2 334.405 0.836 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000367174369 438176311 /nfs/dbraw/zinc/17/63/11/438176311.db2.gz UXMAHZWFPKKXJS-HUUCEWRRSA-N 1 2 344.481 0.652 20 30 ECEDLO Cc1c(C#N)cccc1NC(=O)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000431989830 438177770 /nfs/dbraw/zinc/17/77/70/438177770.db2.gz CJMQOUCFLRHNMQ-GFCCVEGCSA-N 1 2 330.388 0.642 20 30 ECEDLO Cc1c(C#N)cccc1NC(=O)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000431989830 438177773 /nfs/dbraw/zinc/17/77/73/438177773.db2.gz CJMQOUCFLRHNMQ-GFCCVEGCSA-N 1 2 330.388 0.642 20 30 ECEDLO CC(=O)N1CC[NH+](CCNC(=O)Cc2c(F)cccc2C#N)CC1 ZINC000349853013 438185582 /nfs/dbraw/zinc/18/55/82/438185582.db2.gz GWRGCPMDKOROCV-UHFFFAOYSA-N 1 2 332.379 0.520 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(c3cc(C)nn3C)C2=O)C1=O ZINC000374178432 438195014 /nfs/dbraw/zinc/19/50/14/438195014.db2.gz YZFKANGOPPFVOU-UONOGXRCSA-N 1 2 331.420 0.553 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(c3cc(C)nn3C)C2=O)C1=O ZINC000374178432 438195019 /nfs/dbraw/zinc/19/50/19/438195019.db2.gz YZFKANGOPPFVOU-UONOGXRCSA-N 1 2 331.420 0.553 20 30 ECEDLO Cc1nnc(N2CC[NH+]([C@H]3CCCCNC3=O)CC2)c(C#N)c1C ZINC000374545796 438216516 /nfs/dbraw/zinc/21/65/16/438216516.db2.gz NXDJZVXTHFTVPT-HNNXBMFYSA-N 1 2 328.420 0.756 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000374624754 438220207 /nfs/dbraw/zinc/22/02/07/438220207.db2.gz HSVUUGKTAQUXEJ-LLVKDONJSA-N 1 2 336.396 0.327 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000374624754 438220210 /nfs/dbraw/zinc/22/02/10/438220210.db2.gz HSVUUGKTAQUXEJ-LLVKDONJSA-N 1 2 336.396 0.327 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C(C)(C)c2ccccn2)CC1 ZINC000367387716 438203949 /nfs/dbraw/zinc/20/39/49/438203949.db2.gz HQCPBRXKMPIOLV-UHFFFAOYSA-N 1 2 342.443 0.643 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)c2ccccn2)CC1 ZINC000367387716 438203953 /nfs/dbraw/zinc/20/39/53/438203953.db2.gz HQCPBRXKMPIOLV-UHFFFAOYSA-N 1 2 342.443 0.643 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000374415710 438206421 /nfs/dbraw/zinc/20/64/21/438206421.db2.gz OIGLUFQTOSUHRW-QLFBSQMISA-N 1 2 344.481 0.556 20 30 ECEDLO C=CCOCCNC(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000367871589 438260519 /nfs/dbraw/zinc/26/05/19/438260519.db2.gz SGOHHCXUBWYZMX-MRXNPFEDSA-N 1 2 327.425 0.370 20 30 ECEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1 ZINC000376099411 438270749 /nfs/dbraw/zinc/27/07/49/438270749.db2.gz VFUGANMWKLPRPA-INIZCTEOSA-N 1 2 339.399 0.260 20 30 ECEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1 ZINC000376099411 438270751 /nfs/dbraw/zinc/27/07/51/438270751.db2.gz VFUGANMWKLPRPA-INIZCTEOSA-N 1 2 339.399 0.260 20 30 ECEDLO CCN1CCO[C@@H](C[NH+]2CCN(c3nc(C)cc(C#N)n3)CC2)C1 ZINC000376185529 438272803 /nfs/dbraw/zinc/27/28/03/438272803.db2.gz CFJNKNHSWMBXDL-MRXNPFEDSA-N 1 2 330.436 0.499 20 30 ECEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000351498794 438273241 /nfs/dbraw/zinc/27/32/41/438273241.db2.gz BFQBABKLSANPBD-HIFRSBDPSA-N 1 2 333.388 0.135 20 30 ECEDLO C#CCCCS(=O)(=O)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000376294321 438277312 /nfs/dbraw/zinc/27/73/12/438277312.db2.gz RUYUFGBUGGPAEI-UHFFFAOYSA-N 1 2 343.493 0.652 20 30 ECEDLO C#CCCCS(=O)(=O)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000376294321 438277316 /nfs/dbraw/zinc/27/73/16/438277316.db2.gz RUYUFGBUGGPAEI-UHFFFAOYSA-N 1 2 343.493 0.652 20 30 ECEDLO Cc1nc(C(=O)N2CC[NH+]([C@H]3CCCCNC3=O)CC2)ccc1C#N ZINC000377965898 438332418 /nfs/dbraw/zinc/33/24/18/438332418.db2.gz QGUNMWAZPQBAPM-INIZCTEOSA-N 1 2 341.415 0.688 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000377906916 438333710 /nfs/dbraw/zinc/33/37/10/438333710.db2.gz KKBCUDWNNQUJRP-OLZOCXBDSA-N 1 2 342.465 0.470 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000377906916 438333713 /nfs/dbraw/zinc/33/37/13/438333713.db2.gz KKBCUDWNNQUJRP-OLZOCXBDSA-N 1 2 342.465 0.470 20 30 ECEDLO C#CCCS(=O)(=O)NC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000377379490 438309136 /nfs/dbraw/zinc/30/91/36/438309136.db2.gz MJEBLFUQTXQKGK-UHFFFAOYSA-N 1 2 327.450 0.016 20 30 ECEDLO CCOC(=O)COCC[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000351653598 438311535 /nfs/dbraw/zinc/31/15/35/438311535.db2.gz WQHAKQVKPUWXMP-UHFFFAOYSA-N 1 2 335.408 0.302 20 30 ECEDLO CNC(=O)C[N@@H+]1CCCN(C(=O)COc2ccc(C#N)cc2)CC1 ZINC000368840059 438391130 /nfs/dbraw/zinc/39/11/30/438391130.db2.gz ZFSUMEAQWDOTMF-UHFFFAOYSA-N 1 2 330.388 0.217 20 30 ECEDLO CNC(=O)C[N@H+]1CCCN(C(=O)COc2ccc(C#N)cc2)CC1 ZINC000368840059 438391135 /nfs/dbraw/zinc/39/11/35/438391135.db2.gz ZFSUMEAQWDOTMF-UHFFFAOYSA-N 1 2 330.388 0.217 20 30 ECEDLO CN(C)S(=O)(=O)N(CC#N)Cc1[nH+]ccn1CC(F)(F)F ZINC000352046201 438374676 /nfs/dbraw/zinc/37/46/76/438374676.db2.gz BONRRPFXYKORNP-UHFFFAOYSA-N 1 2 325.316 0.577 20 30 ECEDLO C=C[C@@](C)(CCOC)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000352444941 438423937 /nfs/dbraw/zinc/42/39/37/438423937.db2.gz IGVYLIUVDTZCMM-KRWDZBQOSA-N 1 2 336.436 1.383 20 30 ECEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000369663569 438502144 /nfs/dbraw/zinc/50/21/44/438502144.db2.gz JOXUMTDHZTXABN-SQWLQELKSA-N 1 2 339.436 0.002 20 30 ECEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000369663569 438502149 /nfs/dbraw/zinc/50/21/49/438502149.db2.gz JOXUMTDHZTXABN-SQWLQELKSA-N 1 2 339.436 0.002 20 30 ECEDLO COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)CCCCC#N)CC1 ZINC000353430677 438506963 /nfs/dbraw/zinc/50/69/63/438506963.db2.gz RASLPDHXYOEPJZ-CYBMUJFWSA-N 1 2 331.438 0.579 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000369907220 438526538 /nfs/dbraw/zinc/52/65/38/438526538.db2.gz WGRUDVFRSHEVSS-HUUCEWRRSA-N 1 2 335.452 0.033 20 30 ECEDLO C=C(C)CN(C)C(=O)C(=O)N1CCC[N@@H+](Cc2cnn(CC)c2)CC1 ZINC000410523993 438597340 /nfs/dbraw/zinc/59/73/40/438597340.db2.gz DIDLPWYYINYBFU-UHFFFAOYSA-N 1 2 347.463 0.972 20 30 ECEDLO C=C(C)CN(C)C(=O)C(=O)N1CCC[N@H+](Cc2cnn(CC)c2)CC1 ZINC000410523993 438597343 /nfs/dbraw/zinc/59/73/43/438597343.db2.gz DIDLPWYYINYBFU-UHFFFAOYSA-N 1 2 347.463 0.972 20 30 ECEDLO C[N@@H+]1CCN(C(=O)CSCC#N)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000493423680 438624023 /nfs/dbraw/zinc/62/40/23/438624023.db2.gz FFWSUVKFVNNLDE-GFCCVEGCSA-N 1 2 342.465 0.910 20 30 ECEDLO C[N@H+]1CCN(C(=O)CSCC#N)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000493423680 438624026 /nfs/dbraw/zinc/62/40/26/438624026.db2.gz FFWSUVKFVNNLDE-GFCCVEGCSA-N 1 2 342.465 0.910 20 30 ECEDLO N#Cc1ccc(CNS(=O)(=O)CCC[NH+]2CCOCC2)cc1F ZINC000452042098 438631618 /nfs/dbraw/zinc/63/16/18/438631618.db2.gz LEVNRPUTLAFTQA-UHFFFAOYSA-N 1 2 341.408 0.839 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000410903427 438666437 /nfs/dbraw/zinc/66/64/37/438666437.db2.gz BYNFJUSTQXNYRD-GASCZTMLSA-N 1 2 341.452 0.215 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000410903427 438666441 /nfs/dbraw/zinc/66/64/41/438666441.db2.gz BYNFJUSTQXNYRD-GASCZTMLSA-N 1 2 341.452 0.215 20 30 ECEDLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2cc(C)cc(C#N)c2)CC1 ZINC000453697629 438689290 /nfs/dbraw/zinc/68/92/90/438689290.db2.gz OEPOWXHIZNSMLL-UHFFFAOYSA-N 1 2 344.415 0.986 20 30 ECEDLO COc1ccc(S(=O)(=O)N(C)C[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000414163058 438698912 /nfs/dbraw/zinc/69/89/12/438698912.db2.gz MUMVYKIZWRIWOZ-CYBMUJFWSA-N 1 2 341.433 0.522 20 30 ECEDLO COc1ccc(S(=O)(=O)N(C)C[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000414163058 438698916 /nfs/dbraw/zinc/69/89/16/438698916.db2.gz MUMVYKIZWRIWOZ-CYBMUJFWSA-N 1 2 341.433 0.522 20 30 ECEDLO Cc1ccc([C@]2(C)NC(=O)N(C[C@@H](O)C[N@H+](C)CCC#N)C2=O)cc1 ZINC000414107499 438700120 /nfs/dbraw/zinc/70/01/20/438700120.db2.gz KHDKNYXCYLEODP-YJBOKZPZSA-N 1 2 344.415 0.968 20 30 ECEDLO Cc1ccc([C@]2(C)NC(=O)N(C[C@@H](O)C[N@@H+](C)CCC#N)C2=O)cc1 ZINC000414107499 438700124 /nfs/dbraw/zinc/70/01/24/438700124.db2.gz KHDKNYXCYLEODP-YJBOKZPZSA-N 1 2 344.415 0.968 20 30 ECEDLO N#CC1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000558231546 438805090 /nfs/dbraw/zinc/80/50/90/438805090.db2.gz KZLUUJWDOYLQFT-JKSUJKDBSA-N 1 2 348.447 0.508 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000554518551 438766447 /nfs/dbraw/zinc/76/64/47/438766447.db2.gz WFHIVUWEPCZBDU-LSDHHAIUSA-N 1 2 344.481 0.700 20 30 ECEDLO C=CCONC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000497189084 438775901 /nfs/dbraw/zinc/77/59/01/438775901.db2.gz DFVWBLGQEKUASI-LBPRGKRZSA-N 1 2 328.413 0.954 20 30 ECEDLO C=CCONC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000497189084 438775903 /nfs/dbraw/zinc/77/59/03/438775903.db2.gz DFVWBLGQEKUASI-LBPRGKRZSA-N 1 2 328.413 0.954 20 30 ECEDLO COCCn1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cn1 ZINC000601024293 438810921 /nfs/dbraw/zinc/81/09/21/438810921.db2.gz VYISALCDQFRETA-UHFFFAOYSA-N 1 2 335.408 0.218 20 30 ECEDLO COC(=O)C[C@@H]1COCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000588214379 438826546 /nfs/dbraw/zinc/82/65/46/438826546.db2.gz GYZSMIOTVPESDB-HZPDHXFCSA-N 1 2 348.399 0.756 20 30 ECEDLO COC(=O)C[C@@H]1COCC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000588214379 438826556 /nfs/dbraw/zinc/82/65/56/438826556.db2.gz GYZSMIOTVPESDB-HZPDHXFCSA-N 1 2 348.399 0.756 20 30 ECEDLO N#Cc1cncnc1NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000601177998 438827298 /nfs/dbraw/zinc/82/72/98/438827298.db2.gz HMOMXPOGJREIKF-UHFFFAOYSA-N 1 2 341.440 0.947 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N2CC[C@@](C)(C#N)C2)C1=O ZINC000595580329 438828618 /nfs/dbraw/zinc/82/86/18/438828618.db2.gz PBPZJNWTQWSYAI-DYVFJYSZSA-N 1 2 344.419 0.856 20 30 ECEDLO N#Cc1ccnc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000588304583 438830245 /nfs/dbraw/zinc/83/02/45/438830245.db2.gz DGDWKCSIYZDFGW-INIZCTEOSA-N 1 2 332.429 0.891 20 30 ECEDLO CC1(C)CN(S(=O)(=O)Cc2ccc(C#N)cc2)CC[N@@H+]1CCO ZINC000588899410 438848141 /nfs/dbraw/zinc/84/81/41/438848141.db2.gz YWOPWFPAHMZWSR-UHFFFAOYSA-N 1 2 337.445 0.777 20 30 ECEDLO CC1(C)CN(S(=O)(=O)Cc2ccc(C#N)cc2)CC[N@H+]1CCO ZINC000588899410 438848152 /nfs/dbraw/zinc/84/81/52/438848152.db2.gz YWOPWFPAHMZWSR-UHFFFAOYSA-N 1 2 337.445 0.777 20 30 ECEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N(CCC#N)Cc2ccccn2)C1 ZINC000601336778 438850920 /nfs/dbraw/zinc/85/09/20/438850920.db2.gz LCLXLFXCLPUUTP-OAHLLOKOSA-N 1 2 338.433 0.458 20 30 ECEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N(CCC#N)Cc2ccccn2)C1 ZINC000601336778 438850926 /nfs/dbraw/zinc/85/09/26/438850926.db2.gz LCLXLFXCLPUUTP-OAHLLOKOSA-N 1 2 338.433 0.458 20 30 ECEDLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)c2ccccc2CC#N)CC1 ZINC000601353424 438859149 /nfs/dbraw/zinc/85/91/49/438859149.db2.gz KPTXOSQQWUZLIX-UHFFFAOYSA-N 1 2 337.445 0.830 20 30 ECEDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000589189000 438861485 /nfs/dbraw/zinc/86/14/85/438861485.db2.gz ZTBWVKLYERFLKP-LBPRGKRZSA-N 1 2 331.372 0.973 20 30 ECEDLO C=CCn1cc(CNC(=O)N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)nn1 ZINC000563806910 438869412 /nfs/dbraw/zinc/86/94/12/438869412.db2.gz ILLQWELWXODAKV-MRXNPFEDSA-N 1 2 347.467 0.386 20 30 ECEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCOC[C@H]1C#N ZINC000589433050 438872687 /nfs/dbraw/zinc/87/26/87/438872687.db2.gz WVCJNHPXRQVBHQ-KGLIPLIRSA-N 1 2 333.392 0.234 20 30 ECEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCOC[C@H]1C#N ZINC000589433050 438872692 /nfs/dbraw/zinc/87/26/92/438872692.db2.gz WVCJNHPXRQVBHQ-KGLIPLIRSA-N 1 2 333.392 0.234 20 30 ECEDLO Cc1ccccc1[C@@H]1C(=O)NCCN1C[C@@H](O)C[N@H+](C)CCC#N ZINC000596038516 438917082 /nfs/dbraw/zinc/91/70/82/438917082.db2.gz NRDKJCFSRFQLJG-DOTOQJQBSA-N 1 2 330.432 0.674 20 30 ECEDLO Cc1ccccc1[C@@H]1C(=O)NCCN1C[C@@H](O)C[N@@H+](C)CCC#N ZINC000596038516 438917086 /nfs/dbraw/zinc/91/70/86/438917086.db2.gz NRDKJCFSRFQLJG-DOTOQJQBSA-N 1 2 330.432 0.674 20 30 ECEDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)CN(C)CCC#N ZINC000596038516 438917091 /nfs/dbraw/zinc/91/70/91/438917091.db2.gz NRDKJCFSRFQLJG-DOTOQJQBSA-N 1 2 330.432 0.674 20 30 ECEDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)CN(C)CCC#N ZINC000596038516 438917097 /nfs/dbraw/zinc/91/70/97/438917097.db2.gz NRDKJCFSRFQLJG-DOTOQJQBSA-N 1 2 330.432 0.674 20 30 ECEDLO CCc1nc(C#N)cc(Nc2ccn(CC[NH+]3CCOCC3)n2)n1 ZINC000596122860 438929411 /nfs/dbraw/zinc/92/94/11/438929411.db2.gz VBYMGOXHGCMHHE-UHFFFAOYSA-N 1 2 327.392 1.183 20 30 ECEDLO C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2[nH+]ccn2CC)CC1 ZINC000459071347 438942626 /nfs/dbraw/zinc/94/26/26/438942626.db2.gz YMFNOKCPPYQBRT-CQSZACIVSA-N 1 2 348.451 0.593 20 30 ECEDLO C[C@H]1NC(=O)N(CC[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)C1=O ZINC000459374262 438962251 /nfs/dbraw/zinc/96/22/51/438962251.db2.gz JEOWGDCVZIWZCK-GDBMZVCRSA-N 1 2 341.415 0.809 20 30 ECEDLO CC(C)Cn1c(N)c(C(=O)C[NH2+][C@@H]2CCC[C@@H]2C#N)c(=O)[nH]c1=O ZINC000459464401 438966459 /nfs/dbraw/zinc/96/64/59/438966459.db2.gz MEORHSJNLDFIHK-GHMZBOCLSA-N 1 2 333.392 0.652 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCC1(C#N)CCCCC1 ZINC000596862516 439009235 /nfs/dbraw/zinc/00/92/35/439009235.db2.gz VYQIJXHPBAPRIP-OAHLLOKOSA-N 1 2 338.452 0.795 20 30 ECEDLO N#CC1(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)CC1 ZINC000602307965 439061960 /nfs/dbraw/zinc/06/19/60/439061960.db2.gz VXGOSUQASBAQMT-OAHLLOKOSA-N 1 2 329.404 0.885 20 30 ECEDLO N#CC1(CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)CC1 ZINC000602307965 439061965 /nfs/dbraw/zinc/06/19/65/439061965.db2.gz VXGOSUQASBAQMT-OAHLLOKOSA-N 1 2 329.404 0.885 20 30 ECEDLO COc1cc(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)ccn1 ZINC000597019478 439028596 /nfs/dbraw/zinc/02/85/96/439028596.db2.gz BRXDEMKLFSXSSI-UHFFFAOYSA-N 1 2 332.404 0.707 20 30 ECEDLO COc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592148873 439167865 /nfs/dbraw/zinc/16/78/65/439167865.db2.gz DGQFTDWFLFCIBP-MRXNPFEDSA-N 1 2 332.360 0.694 20 30 ECEDLO COc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592148873 439167868 /nfs/dbraw/zinc/16/78/68/439167868.db2.gz DGQFTDWFLFCIBP-MRXNPFEDSA-N 1 2 332.360 0.694 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(Cc2ccncc2C#N)CC1 ZINC000592066604 439144075 /nfs/dbraw/zinc/14/40/75/439144075.db2.gz AGMHIDKJJPDASN-HNNXBMFYSA-N 1 2 345.447 0.612 20 30 ECEDLO N#Cc1cnccc1CN1CC[N@H+](Cc2ccncc2C#N)CC(O)C1 ZINC000592088521 439150702 /nfs/dbraw/zinc/15/07/02/439150702.db2.gz XYJPQVWJFBAKDH-UHFFFAOYSA-N 1 2 348.410 0.899 20 30 ECEDLO N#Cc1cnccc1CN1CC[N@@H+](Cc2ccncc2C#N)CC(O)C1 ZINC000592088521 439150710 /nfs/dbraw/zinc/15/07/10/439150710.db2.gz XYJPQVWJFBAKDH-UHFFFAOYSA-N 1 2 348.410 0.899 20 30 ECEDLO COC(=O)c1cccc(C[N@H+]2C[C@H](O)C[C@@H](C(=O)OC)C2)c1C#N ZINC000592200246 439179077 /nfs/dbraw/zinc/17/90/77/439179077.db2.gz VIPQLAOXPWJBRY-CHWSQXEVSA-N 1 2 332.356 0.701 20 30 ECEDLO COC(=O)c1cccc(C[N@@H+]2C[C@H](O)C[C@@H](C(=O)OC)C2)c1C#N ZINC000592200246 439179083 /nfs/dbraw/zinc/17/90/83/439179083.db2.gz VIPQLAOXPWJBRY-CHWSQXEVSA-N 1 2 332.356 0.701 20 30 ECEDLO CN(Cc1c[nH+]c[nH]1)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000597865703 439195641 /nfs/dbraw/zinc/19/56/41/439195641.db2.gz VCCVFPFNNNFZAY-UHFFFAOYSA-N 1 2 332.385 0.855 20 30 ECEDLO CN(Cc1c[nH]c[nH+]1)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000597865703 439195647 /nfs/dbraw/zinc/19/56/47/439195647.db2.gz VCCVFPFNNNFZAY-UHFFFAOYSA-N 1 2 332.385 0.855 20 30 ECEDLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C#N)cc1F ZINC000581310496 439196821 /nfs/dbraw/zinc/19/68/21/439196821.db2.gz DYZJNSLOGBSBGJ-ZDUSSCGKSA-N 1 2 349.391 0.766 20 30 ECEDLO Cc1cn2cc(NC(=O)C(=O)N3CC[C@@](O)(CC#N)C3)ccc2[nH+]1 ZINC000592301864 439197301 /nfs/dbraw/zinc/19/73/01/439197301.db2.gz OHBOVMKUDGHIMW-INIZCTEOSA-N 1 2 327.344 0.458 20 30 ECEDLO N#Cc1ccc(NC(=O)Cn2cc(CC[NH+]3CCOCC3)nn2)cc1 ZINC000603167529 439200147 /nfs/dbraw/zinc/20/01/47/439200147.db2.gz CGUKYBLTMBXSIZ-UHFFFAOYSA-N 1 2 340.387 0.663 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000567995627 439202553 /nfs/dbraw/zinc/20/25/53/439202553.db2.gz QJLVGMACHULCAU-KSSFIOAISA-N 1 2 342.399 0.465 20 30 ECEDLO CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000568464768 439249471 /nfs/dbraw/zinc/24/94/71/439249471.db2.gz BECOJCPLMHAKAA-CYBMUJFWSA-N 1 2 344.419 0.698 20 30 ECEDLO C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1[nH+]ccn1C ZINC000598776911 439314797 /nfs/dbraw/zinc/31/47/97/439314797.db2.gz PFUVDVNOAKNSAO-NSHDSACASA-N 1 2 347.400 0.447 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2ccc(C(=O)OC(C)C)cc2=O)CC1 ZINC000490948542 439315891 /nfs/dbraw/zinc/31/58/91/439315891.db2.gz FFGZJTVMWMIBCQ-UHFFFAOYSA-N 1 2 345.399 0.191 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CCCOCC)CC1 ZINC000491068304 439328725 /nfs/dbraw/zinc/32/87/25/439328725.db2.gz NTFULBVFDQWSNN-INIZCTEOSA-N 1 2 347.463 0.964 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(C[C@H](O)c2c(F)cccc2F)CC1 ZINC000491071370 439329251 /nfs/dbraw/zinc/32/92/51/439329251.db2.gz KJRYCAIECSNWLO-HNNXBMFYSA-N 1 2 337.370 0.365 20 30 ECEDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528379214 439330394 /nfs/dbraw/zinc/33/03/94/439330394.db2.gz JGGJZTOJLNOPMK-MRXNPFEDSA-N 1 2 339.395 0.742 20 30 ECEDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528379214 439330397 /nfs/dbraw/zinc/33/03/97/439330397.db2.gz JGGJZTOJLNOPMK-MRXNPFEDSA-N 1 2 339.395 0.742 20 30 ECEDLO CNC(=O)[C@H]1CCCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528369619 439331263 /nfs/dbraw/zinc/33/12/63/439331263.db2.gz WCXLHHXKNLFZIW-MRXNPFEDSA-N 1 2 339.395 0.887 20 30 ECEDLO CNC(=O)[C@H]1CCCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528369619 439331267 /nfs/dbraw/zinc/33/12/67/439331267.db2.gz WCXLHHXKNLFZIW-MRXNPFEDSA-N 1 2 339.395 0.887 20 30 ECEDLO CC(C)(C(N)=O)N1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528396192 439333186 /nfs/dbraw/zinc/33/31/86/439333186.db2.gz ODCZBRYYKSBHNW-HNNXBMFYSA-N 1 2 346.431 0.179 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528396192 439333189 /nfs/dbraw/zinc/33/31/89/439333189.db2.gz ODCZBRYYKSBHNW-HNNXBMFYSA-N 1 2 346.431 0.179 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN[C@H](c2nc[nH]n2)c2ccccc2)CC1 ZINC000490713070 439288942 /nfs/dbraw/zinc/28/89/42/439288942.db2.gz HPVOYIDHXZBFOI-KRWDZBQOSA-N 1 2 338.415 0.261 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH2+][C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000598644891 439295369 /nfs/dbraw/zinc/29/53/69/439295369.db2.gz UDBQNSVKZVWMRC-ZDUSSCGKSA-N 1 2 337.401 0.258 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000490763514 439296247 /nfs/dbraw/zinc/29/62/47/439296247.db2.gz SXKUNXMBYJEPJB-UHFFFAOYSA-N 1 2 341.411 0.735 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCOC[C@@H]2c2ccccc2)CC1 ZINC000490778716 439297147 /nfs/dbraw/zinc/29/71/47/439297147.db2.gz JQHRTJILGOVFRK-GOSISDBHSA-N 1 2 327.428 0.837 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccccc2C(=O)N(C)C)CC1 ZINC000490778455 439298899 /nfs/dbraw/zinc/29/88/99/439298899.db2.gz FZCODRVNLRUAPF-UHFFFAOYSA-N 1 2 329.400 0.545 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCC(=O)C[C@@H]2C)CC1 ZINC000490873337 439307510 /nfs/dbraw/zinc/30/75/10/439307510.db2.gz ILXWBFGEZCSXHA-HOCLYGCPSA-N 1 2 333.432 0.275 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC(=O)C[C@@H]2C)CC1 ZINC000490873337 439307513 /nfs/dbraw/zinc/30/75/13/439307513.db2.gz ILXWBFGEZCSXHA-HOCLYGCPSA-N 1 2 333.432 0.275 20 30 ECEDLO C#CCN(C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000490917529 439311094 /nfs/dbraw/zinc/31/10/94/439311094.db2.gz YNGCLZWORKOIRC-TZMCWYRMSA-N 1 2 325.434 0.055 20 30 ECEDLO C#CCN(C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000490917529 439311095 /nfs/dbraw/zinc/31/10/95/439311095.db2.gz YNGCLZWORKOIRC-TZMCWYRMSA-N 1 2 325.434 0.055 20 30 ECEDLO C[C@@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H](CO)O1 ZINC000528477224 439340206 /nfs/dbraw/zinc/34/02/06/439340206.db2.gz WCNJTSBVWBFNIG-KGLIPLIRSA-N 1 2 328.368 0.368 20 30 ECEDLO C[C@@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H](CO)O1 ZINC000528477224 439340208 /nfs/dbraw/zinc/34/02/08/439340208.db2.gz WCNJTSBVWBFNIG-KGLIPLIRSA-N 1 2 328.368 0.368 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](Cc2cc(C(=O)OC)oc2C)CC1 ZINC000491209254 439347573 /nfs/dbraw/zinc/34/75/73/439347573.db2.gz DQLCZJWUMSZULF-UHFFFAOYSA-N 1 2 333.388 0.242 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000569662157 439353239 /nfs/dbraw/zinc/35/32/39/439353239.db2.gz SYRVAYVIWOITJH-CVEARBPZSA-N 1 2 335.448 0.638 20 30 ECEDLO C#CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000491382632 439374619 /nfs/dbraw/zinc/37/46/19/439374619.db2.gz JFFWHUUATSNFAC-CQSZACIVSA-N 1 2 331.397 0.905 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000491463528 439387119 /nfs/dbraw/zinc/38/71/19/439387119.db2.gz NPQOCDFMDBDFHU-UHFFFAOYSA-N 1 2 336.413 0.246 20 30 ECEDLO CC1(C)CN(S(=O)(=O)c2ccsc2C#N)CC[N@@H+]1CCO ZINC000593583023 439415265 /nfs/dbraw/zinc/41/52/65/439415265.db2.gz YGJDKTQHHJMABA-UHFFFAOYSA-N 1 2 329.447 0.697 20 30 ECEDLO CC1(C)CN(S(=O)(=O)c2ccsc2C#N)CC[N@H+]1CCO ZINC000593583023 439415269 /nfs/dbraw/zinc/41/52/69/439415269.db2.gz YGJDKTQHHJMABA-UHFFFAOYSA-N 1 2 329.447 0.697 20 30 ECEDLO C#CC[NH+]1CCN(CN2C[C@](C(=O)OCC)(C(C)C)CC2=O)CC1 ZINC000491810117 439455357 /nfs/dbraw/zinc/45/53/57/439455357.db2.gz HOZXTFYCUNXYTP-SFHVURJKSA-N 1 2 335.448 0.633 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000491751044 439442229 /nfs/dbraw/zinc/44/22/29/439442229.db2.gz JLKONQGMIVDGOM-AWEZNQCLSA-N 1 2 338.452 0.267 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2cc(C)ccc2F)CC1 ZINC000491764900 439443342 /nfs/dbraw/zinc/44/33/42/439443342.db2.gz CEVRGGHYZBYLKM-UHFFFAOYSA-N 1 2 345.418 0.960 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2cc(C)ccc2F)CC1 ZINC000491764900 439443348 /nfs/dbraw/zinc/44/33/48/439443348.db2.gz CEVRGGHYZBYLKM-UHFFFAOYSA-N 1 2 345.418 0.960 20 30 ECEDLO C=CCNC(=O)NC(=O)CN1CCc2[nH+]c[nH]c2[C@H]1c1ccnn1C ZINC000599444819 439472023 /nfs/dbraw/zinc/47/20/23/439472023.db2.gz MTNZTCUMDLVUHT-OAHLLOKOSA-N 1 2 343.391 0.103 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCN1c2ccccc2OCC1=O ZINC000571496207 439507200 /nfs/dbraw/zinc/50/72/00/439507200.db2.gz BBJBGUXMVHCUFU-KRWDZBQOSA-N 1 2 330.388 0.762 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)nc1 ZINC000599637005 439525395 /nfs/dbraw/zinc/52/53/95/439525395.db2.gz GSJJENGOFODZTO-GOEBONIOSA-N 1 2 335.429 0.821 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)nc1 ZINC000599637005 439525400 /nfs/dbraw/zinc/52/54/00/439525400.db2.gz GSJJENGOFODZTO-GOEBONIOSA-N 1 2 335.429 0.821 20 30 ECEDLO CS(=O)(=O)NC[C@@H]1COCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000599665715 439530978 /nfs/dbraw/zinc/53/09/78/439530978.db2.gz KJIBKZJBDHSBAX-CQSZACIVSA-N 1 2 345.465 0.337 20 30 ECEDLO CS(=O)(=O)NC[C@@H]1COCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000599665715 439530984 /nfs/dbraw/zinc/53/09/84/439530984.db2.gz KJIBKZJBDHSBAX-CQSZACIVSA-N 1 2 345.465 0.337 20 30 ECEDLO C=CCNC(=O)CNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000537445429 439541931 /nfs/dbraw/zinc/54/19/31/439541931.db2.gz FEIUTRNSDZESKP-UHFFFAOYSA-N 1 2 329.360 0.239 20 30 ECEDLO N#CC1(CS(=O)(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000545205880 439567132 /nfs/dbraw/zinc/56/71/32/439567132.db2.gz NXAVPYDNPUZKJA-AWEZNQCLSA-N 1 2 345.490 0.417 20 30 ECEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000609485577 439571191 /nfs/dbraw/zinc/57/11/91/439571191.db2.gz SSWLICPYJIMGOM-XHSDSOJGSA-N 1 2 349.479 0.265 20 30 ECEDLO COc1cc(NC(=O)C(=O)NCCc2cn(C)c[nH+]2)c(F)cc1C#N ZINC000599983194 439590437 /nfs/dbraw/zinc/59/04/37/439590437.db2.gz SHNKNRZZRMRBIT-UHFFFAOYSA-N 1 2 345.334 0.737 20 30 ECEDLO C[N@H+](CCN1CCCS1(=O)=O)CC(=O)NC1(C#N)CCCCC1 ZINC000610604161 439629985 /nfs/dbraw/zinc/62/99/85/439629985.db2.gz DQAJEONYOGXUCU-UHFFFAOYSA-N 1 2 342.465 0.296 20 30 ECEDLO C[N@@H+](CCN1CCCS1(=O)=O)CC(=O)NC1(C#N)CCCCC1 ZINC000610604161 439629989 /nfs/dbraw/zinc/62/99/89/439629989.db2.gz DQAJEONYOGXUCU-UHFFFAOYSA-N 1 2 342.465 0.296 20 30 ECEDLO C[C@@]1(C#N)CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000595156764 439663496 /nfs/dbraw/zinc/66/34/96/439663496.db2.gz XFEXWGUZXJSBOD-QAPCUYQASA-N 1 2 348.447 0.462 20 30 ECEDLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)CC1 ZINC000595162158 439665500 /nfs/dbraw/zinc/66/55/00/439665500.db2.gz REBLDVJAMVCXBU-QGZVFWFLSA-N 1 2 336.436 0.318 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000587061854 439666754 /nfs/dbraw/zinc/66/67/54/439666754.db2.gz JZBMDGZZTLNXQA-UHFFFAOYSA-N 1 2 349.391 0.094 20 30 ECEDLO Cc1onc(CC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)c1C#N ZINC000600233094 439625971 /nfs/dbraw/zinc/62/59/71/439625971.db2.gz WJLJNJOLFHKRIL-QGZVFWFLSA-N 1 2 348.403 0.129 20 30 ECEDLO Cc1onc(CC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)c1C#N ZINC000600233094 439625975 /nfs/dbraw/zinc/62/59/75/439625975.db2.gz WJLJNJOLFHKRIL-QGZVFWFLSA-N 1 2 348.403 0.129 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](CC[C@@H]3CCS(=O)(=O)C3)CC2)nc1 ZINC000611170379 439676046 /nfs/dbraw/zinc/67/60/46/439676046.db2.gz GPKFBJUCFXPEAM-CQSZACIVSA-N 1 2 334.445 0.900 20 30 ECEDLO N#Cc1ccnc(N2CC[NH+](CC[C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000611169987 439676882 /nfs/dbraw/zinc/67/68/82/439676882.db2.gz CPKPRAMHTQLIFY-CQSZACIVSA-N 1 2 334.445 0.900 20 30 ECEDLO N#Cc1ccc(NCC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)nc1 ZINC000611220225 439682015 /nfs/dbraw/zinc/68/20/15/439682015.db2.gz FMXWGZGDPAKHTL-OAHLLOKOSA-N 1 2 329.404 0.688 20 30 ECEDLO Cc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1NS(C)(=O)=O ZINC000574151541 439687148 /nfs/dbraw/zinc/68/71/48/439687148.db2.gz UJHDMXQSJFHHRB-CQSZACIVSA-N 1 2 340.449 0.985 20 30 ECEDLO Cc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1NS(C)(=O)=O ZINC000574151541 439687150 /nfs/dbraw/zinc/68/71/50/439687150.db2.gz UJHDMXQSJFHHRB-CQSZACIVSA-N 1 2 340.449 0.985 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)nn1 ZINC000648771669 440322199 /nfs/dbraw/zinc/32/21/99/440322199.db2.gz CCNWILHTJOPNMN-UHFFFAOYSA-N 1 2 329.408 0.546 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)nn1 ZINC000648771669 440322205 /nfs/dbraw/zinc/32/22/05/440322205.db2.gz CCNWILHTJOPNMN-UHFFFAOYSA-N 1 2 329.408 0.546 20 30 ECEDLO C=CCNC(=O)c1ccc(NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)cc1 ZINC000637939599 440373023 /nfs/dbraw/zinc/37/30/23/440373023.db2.gz MOPPYEVJTFFHHH-GFCCVEGCSA-N 1 2 330.388 0.361 20 30 ECEDLO C=CCN(C(=O)Cc1cn2c([nH+]1)CCCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000651159013 440760050 /nfs/dbraw/zinc/76/00/50/440760050.db2.gz MEVSFIYERCDWKR-CQSZACIVSA-N 1 2 337.445 0.964 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2c(C)nn(C)c2C)nn1 ZINC000640877779 441019457 /nfs/dbraw/zinc/01/94/57/441019457.db2.gz JXWYTCKETIVUKE-ZDUSSCGKSA-N 1 2 329.408 0.941 20 30 ECEDLO C=CCC[C@@H](O)Cn1cc(Cn2cc[nH+]c2CN2CCOCC2)nn1 ZINC000641212487 441074484 /nfs/dbraw/zinc/07/44/84/441074484.db2.gz LPHKNGIQWWQOAT-MRXNPFEDSA-N 1 2 346.435 0.682 20 30 ECEDLO N#Cc1nccc(N2CC[NH+](CC(=O)NCc3ccccc3)CC2)n1 ZINC000562122247 322266118 /nfs/dbraw/zinc/26/61/18/322266118.db2.gz STQKRYCIYKUDRP-UHFFFAOYSA-N 1 2 336.399 0.787 20 30 ECEDLO Cc1cc(NC(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)ncc1C#N ZINC000567365980 322580849 /nfs/dbraw/zinc/58/08/49/322580849.db2.gz RFUNXNZKKJAUQZ-LBPRGKRZSA-N 1 2 338.371 0.950 20 30 ECEDLO CCOC(=O)CCCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000573546796 322763464 /nfs/dbraw/zinc/76/34/64/322763464.db2.gz VNSBRNXMLIEMMC-UHFFFAOYSA-N 1 2 333.388 0.895 20 30 ECEDLO CN1CCO[C@H]2C[N@H+](CC(=O)N(CCC#N)c3ccccc3)C[C@@H]21 ZINC000131088847 545788536 /nfs/dbraw/zinc/78/85/36/545788536.db2.gz UKGOSGVCMPIPOP-IRXDYDNUSA-N 1 2 328.416 0.948 20 30 ECEDLO CN1CCO[C@H]2C[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C[C@@H]21 ZINC000131088847 545788542 /nfs/dbraw/zinc/78/85/42/545788542.db2.gz UKGOSGVCMPIPOP-IRXDYDNUSA-N 1 2 328.416 0.948 20 30 ECEDLO C[N@@H+]1CCO[C@H]2CN(CC(=O)N(CCC#N)c3ccccc3)C[C@@H]21 ZINC000131088847 545788545 /nfs/dbraw/zinc/78/85/45/545788545.db2.gz UKGOSGVCMPIPOP-IRXDYDNUSA-N 1 2 328.416 0.948 20 30 ECEDLO C[N@H+]1CCO[C@H]2CN(CC(=O)N(CCC#N)c3ccccc3)C[C@@H]21 ZINC000131088847 545788549 /nfs/dbraw/zinc/78/85/49/545788549.db2.gz UKGOSGVCMPIPOP-IRXDYDNUSA-N 1 2 328.416 0.948 20 30 ECEDLO C=CCCOCC(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000146673918 545804683 /nfs/dbraw/zinc/80/46/83/545804683.db2.gz PMYCTHCBNIDDEB-UHFFFAOYSA-N 1 2 325.453 0.982 20 30 ECEDLO C=CCCOCC(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000146673918 545804689 /nfs/dbraw/zinc/80/46/89/545804689.db2.gz PMYCTHCBNIDDEB-UHFFFAOYSA-N 1 2 325.453 0.982 20 30 ECEDLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)N1CCNC(=O)CC1 ZINC000329133478 546015930 /nfs/dbraw/zinc/01/59/30/546015930.db2.gz ZAPWPSFFQZULHX-UHFFFAOYSA-N 1 2 333.392 0.994 20 30 ECEDLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)Nc1cnc2c(c1)CCCC2 ZINC000329489693 546024790 /nfs/dbraw/zinc/02/47/90/546024790.db2.gz YMVDXXSRGMWUBR-OAHLLOKOSA-N 1 2 334.420 0.979 20 30 ECEDLO Cc1noc(CN2CCN(C([O-])=[NH+][C@@H](C)Cn3cc[nH+]c3)CC2)n1 ZINC000329674852 546030483 /nfs/dbraw/zinc/03/04/83/546030483.db2.gz OTXRYWMQMQFURK-LBPRGKRZSA-N 1 2 333.396 0.695 20 30 ECEDLO C=C[C@H](C(=O)OC)N1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1 ZINC000619716691 546363703 /nfs/dbraw/zinc/36/37/03/546363703.db2.gz WLXUXHWBUUGHSS-CYBMUJFWSA-N 1 2 348.428 0.601 20 30 ECEDLO Cn1nccc1[C@@H](CO)[NH2+]CC#CCN1C(=O)c2ccccc2C1=O ZINC000625467355 547109133 /nfs/dbraw/zinc/10/91/33/547109133.db2.gz XOZJCHINQYIENL-OAHLLOKOSA-N 1 2 338.367 0.343 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000678889045 549057343 /nfs/dbraw/zinc/05/73/43/549057343.db2.gz NDDKOZBSAJTKEB-CQSZACIVSA-N 1 2 332.452 0.820 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(C)CC(=O)N(C)C2CCCCC2)CC1 ZINC000748814911 579329270 /nfs/dbraw/zinc/32/92/70/579329270.db2.gz IUTRLFVCYRLELE-UHFFFAOYSA-N 1 2 348.491 0.487 20 30 ECEDLO C[C@]1(O)CC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000748832004 579329748 /nfs/dbraw/zinc/32/97/48/579329748.db2.gz CRZMZUOYHRHUKR-PXAZEXFGSA-N 1 2 326.356 0.968 20 30 ECEDLO C[C@]1(O)CC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000748832004 579329749 /nfs/dbraw/zinc/32/97/49/579329749.db2.gz CRZMZUOYHRHUKR-PXAZEXFGSA-N 1 2 326.356 0.968 20 30 ECEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)NCc1ccc(OCC#N)cc1 ZINC000727679565 578283898 /nfs/dbraw/zinc/28/38/98/578283898.db2.gz CSLMVPBNGCMMKO-UHFFFAOYSA-N 1 2 332.404 0.662 20 30 ECEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NCc1ccc(OCC#N)cc1 ZINC000727679565 578283899 /nfs/dbraw/zinc/28/38/99/578283899.db2.gz CSLMVPBNGCMMKO-UHFFFAOYSA-N 1 2 332.404 0.662 20 30 ECEDLO C=CCNC(=S)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000729160417 578293871 /nfs/dbraw/zinc/29/38/71/578293871.db2.gz PNERTUCBVSYPMA-UHFFFAOYSA-N 1 2 333.461 0.933 20 30 ECEDLO C#CCN(C(=O)c1ccc(-n2cc[nH+]c2)nc1)[C@H]1CCS(=O)(=O)C1 ZINC000729332697 578295229 /nfs/dbraw/zinc/29/52/29/578295229.db2.gz VEGGGHDUVYUFDG-AWEZNQCLSA-N 1 2 344.396 0.530 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H](C)Oc2ccccc2-c2nn[nH]n2)CC1 ZINC000735381645 578383165 /nfs/dbraw/zinc/38/31/65/578383165.db2.gz NYTGXUYJPPUHFD-ZDUSSCGKSA-N 1 2 340.387 0.411 20 30 ECEDLO Oc1ccc(F)c(C=NNC(=S)NCC[NH+]2CCOCC2)c1F ZINC000794471070 578589496 /nfs/dbraw/zinc/58/94/96/578589496.db2.gz ZWUCWGRXTXOVJK-UHFFFAOYSA-N 1 2 344.387 0.801 20 30 ECEDLO CNC(=O)CNC(=S)N[NH+]=Cc1c(C)nn(-c2ccccc2)c1N ZINC000794910150 578601041 /nfs/dbraw/zinc/60/10/41/578601041.db2.gz YKBAGVHNACMQBW-UHFFFAOYSA-N 1 2 345.432 0.307 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)NCCc1ccccc1OC ZINC000798062021 578638115 /nfs/dbraw/zinc/63/81/15/578638115.db2.gz JXWZBNBWXNOKRH-INIZCTEOSA-N 1 2 343.427 0.568 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)NCCc1ccccc1OC ZINC000798062021 578638116 /nfs/dbraw/zinc/63/81/16/578638116.db2.gz JXWZBNBWXNOKRH-INIZCTEOSA-N 1 2 343.427 0.568 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)nc1 ZINC000783072417 578737926 /nfs/dbraw/zinc/73/79/26/578737926.db2.gz BFAYTDMNUKCNAI-OAHLLOKOSA-N 1 2 337.383 0.717 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1ccc(-c2cc[nH]n2)o1 ZINC000788414199 578837060 /nfs/dbraw/zinc/83/70/60/578837060.db2.gz IOUYFYDSNHAEQU-UHFFFAOYSA-N 1 2 348.432 0.800 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CC(O)(c3ccc(F)cc3)C2)CC1 ZINC000792876301 578916919 /nfs/dbraw/zinc/91/69/19/578916919.db2.gz UJQCWKKJDKZHIA-UHFFFAOYSA-N 1 2 331.391 0.106 20 30 ECEDLO C#CCOCCNC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000793811884 578940106 /nfs/dbraw/zinc/94/01/06/578940106.db2.gz MSOXXEOPRUOCET-RHSMWYFYSA-N 1 2 346.431 0.876 20 30 ECEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)COc1cccc(C#N)c1 ZINC000765254634 579063030 /nfs/dbraw/zinc/06/30/30/579063030.db2.gz YUCPIQVUCVJEDP-AWEZNQCLSA-N 1 2 328.328 0.561 20 30 ECEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)COc1cccc(C#N)c1 ZINC000765254634 579063031 /nfs/dbraw/zinc/06/30/31/579063031.db2.gz YUCPIQVUCVJEDP-AWEZNQCLSA-N 1 2 328.328 0.561 20 30 ECEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1c[nH+]cn1C ZINC000766382013 579086938 /nfs/dbraw/zinc/08/69/38/579086938.db2.gz PCFIYXZLCPZVRV-NSHDSACASA-N 1 2 348.384 0.702 20 30 ECEDLO Cc1nnc(S)n(N=Cc2ccc(N3CC[NH+](C)CC3)cc2)c1=O ZINC000771555545 579190553 /nfs/dbraw/zinc/19/05/53/579190553.db2.gz MYXWULZGTWPOGG-UHFFFAOYSA-N 1 2 344.444 0.869 20 30 ECEDLO C#C[C@H](NC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)[C@@H]1CCCO1 ZINC000773553176 579229860 /nfs/dbraw/zinc/22/98/60/579229860.db2.gz BIGCSJNZXGEFAP-KBMXLJTQSA-N 1 2 348.447 0.162 20 30 ECEDLO C#C[C@H]([NH2+]CC(=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O)[C@@H]1CCCO1 ZINC000775794377 579271482 /nfs/dbraw/zinc/27/14/82/579271482.db2.gz QHCUETINGMZXRU-AAEUAGOBSA-N 1 2 348.403 0.140 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)Cc2ccccc2CC#N)CC1 ZINC000777405404 579297873 /nfs/dbraw/zinc/29/78/73/579297873.db2.gz KDMCBSCDPMUZKB-UHFFFAOYSA-N 1 2 328.416 0.703 20 30 ECEDLO CN1CCC[C@@H](ON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)C1=O ZINC000778592842 579309867 /nfs/dbraw/zinc/30/98/67/579309867.db2.gz SDCULICCANEOFH-MRXNPFEDSA-N 1 2 346.431 0.777 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccccc2CO)CC1 ZINC000779624873 579318800 /nfs/dbraw/zinc/31/88/00/579318800.db2.gz ZCMMSQGZPKZXJT-UHFFFAOYSA-N 1 2 343.427 0.005 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccccc2CO)CC1 ZINC000779624873 579318801 /nfs/dbraw/zinc/31/88/01/579318801.db2.gz ZCMMSQGZPKZXJT-UHFFFAOYSA-N 1 2 343.427 0.005 20 30 ECEDLO CCOC(=O)[C@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000741246385 579769127 /nfs/dbraw/zinc/76/91/27/579769127.db2.gz GLXJZIMCGIKSJB-GDBMZVCRSA-N 1 2 334.372 0.562 20 30 ECEDLO CCOC(=O)[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000741246385 579769128 /nfs/dbraw/zinc/76/91/28/579769128.db2.gz GLXJZIMCGIKSJB-GDBMZVCRSA-N 1 2 334.372 0.562 20 30 ECEDLO CCOC(=O)[C@@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000741256829 579769673 /nfs/dbraw/zinc/76/96/73/579769673.db2.gz FWMLTKBSJSLAQZ-RDJZCZTQSA-N 1 2 348.399 0.756 20 30 ECEDLO CCOC(=O)[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000741256829 579769674 /nfs/dbraw/zinc/76/96/74/579769674.db2.gz FWMLTKBSJSLAQZ-RDJZCZTQSA-N 1 2 348.399 0.756 20 30 ECEDLO CC1(C)C[N@H+](CCNc2ccc(S(N)(=O)=O)cc2C#N)CCO1 ZINC000742399337 579786769 /nfs/dbraw/zinc/78/67/69/579786769.db2.gz MUABGHPXWPKAEP-UHFFFAOYSA-N 1 2 338.433 0.728 20 30 ECEDLO CC1(C)C[N@@H+](CCNc2ccc(S(N)(=O)=O)cc2C#N)CCO1 ZINC000742399337 579786770 /nfs/dbraw/zinc/78/67/70/579786770.db2.gz MUABGHPXWPKAEP-UHFFFAOYSA-N 1 2 338.433 0.728 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000742912467 579792972 /nfs/dbraw/zinc/79/29/72/579792972.db2.gz OGVFQZSHNCKXCX-QEJZJMRPSA-N 1 2 329.404 0.128 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000742912467 579792973 /nfs/dbraw/zinc/79/29/73/579792973.db2.gz OGVFQZSHNCKXCX-QEJZJMRPSA-N 1 2 329.404 0.128 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)CC1 ZINC000744422498 579809307 /nfs/dbraw/zinc/80/93/07/579809307.db2.gz YYFFKPLSGZPMMD-KSSFIOAISA-N 1 2 346.431 0.265 20 30 ECEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N=NCc3cc[nH]c3)nc2)CC1 ZINC000745194003 579820169 /nfs/dbraw/zinc/82/01/69/579820169.db2.gz NIYFIZLWEXENKU-UHFFFAOYSA-N 1 2 348.432 0.792 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC1 ZINC000746259594 579834568 /nfs/dbraw/zinc/83/45/68/579834568.db2.gz ROKHKIDPWLHMID-INIZCTEOSA-N 1 2 339.395 0.283 20 30 ECEDLO C#CCCCCNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000746436474 579839225 /nfs/dbraw/zinc/83/92/25/579839225.db2.gz WBAQZMTWRLGWNF-UHFFFAOYSA-N 1 2 347.419 0.074 20 30 ECEDLO C#CCNC(=O)CON=C(N)C[NH+]1CCN(c2ccccc2)CC1 ZINC000747826527 579854960 /nfs/dbraw/zinc/85/49/60/579854960.db2.gz BXHWNHVSYWDNDI-UHFFFAOYSA-N 1 2 329.404 0.056 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000747839473 579855128 /nfs/dbraw/zinc/85/51/28/579855128.db2.gz AZRKSAHICJVLBS-ZDUSSCGKSA-N 1 2 335.408 0.034 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000747839473 579855129 /nfs/dbraw/zinc/85/51/29/579855129.db2.gz AZRKSAHICJVLBS-ZDUSSCGKSA-N 1 2 335.408 0.034 20 30 ECEDLO Cc1[nH+]c[nH]c1CNC(=O)CN=C1NS(=O)(=O)c2ccccc21 ZINC000748406811 579858659 /nfs/dbraw/zinc/85/86/59/579858659.db2.gz VZLLHLCONVTYSH-UHFFFAOYSA-N 1 2 333.373 0.073 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2cccc3[nH]c(=O)oc32)CC1 ZINC000891535855 586174398 /nfs/dbraw/zinc/17/43/98/586174398.db2.gz HFVLXCXKLCUFLH-UHFFFAOYSA-N 1 2 330.388 0.953 20 30 ECEDLO COCC(COC)[NH+]1CCN(C(=O)c2cnn(CCC#N)c2C)CC1 ZINC000891594095 586180028 /nfs/dbraw/zinc/18/00/28/586180028.db2.gz MPNNNNWEAIFHRH-UHFFFAOYSA-N 1 2 349.435 0.524 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2c(OC)ccnc2OC)C1 ZINC000891604211 586180950 /nfs/dbraw/zinc/18/09/50/586180950.db2.gz WGQPQRNDSHNYGP-GFCCVEGCSA-N 1 2 346.387 0.251 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2c(OC)ccnc2OC)C1 ZINC000891604211 586180952 /nfs/dbraw/zinc/18/09/52/586180952.db2.gz WGQPQRNDSHNYGP-GFCCVEGCSA-N 1 2 346.387 0.251 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cc3cnccc3o2)CC1 ZINC000895918856 586212624 /nfs/dbraw/zinc/21/26/24/586212624.db2.gz PBXUBNOZOFVVAI-UHFFFAOYSA-N 1 2 334.401 0.413 20 30 ECEDLO C#CC[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000843241865 589055155 /nfs/dbraw/zinc/05/51/55/589055155.db2.gz ITGOTIKPYOBRRD-INIZCTEOSA-N 1 2 340.427 0.992 20 30 ECEDLO C/C(=C/C(=O)NCCNc1ccc(C#N)cn1)C[NH+]1CCOCC1 ZINC000900157430 586527406 /nfs/dbraw/zinc/52/74/06/586527406.db2.gz LSPSRKKBSAGGDU-UVTDQMKNSA-N 1 2 329.404 0.760 20 30 ECEDLO Cc1cn(C)nc1Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000901556306 586711331 /nfs/dbraw/zinc/71/13/31/586711331.db2.gz CQGDCVUCBUZZCP-UHFFFAOYSA-N 1 2 327.388 0.642 20 30 ECEDLO NC(=NOCC[C@@H]1CCNC1=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000902226933 586725767 /nfs/dbraw/zinc/72/57/67/586725767.db2.gz SPBSMXFMJHSKRZ-INIZCTEOSA-N 1 2 346.431 0.682 20 30 ECEDLO Cc1ccn(C[NH+]2CCC(CN3CCNC3=O)CC2)c(=O)c1C#N ZINC000902585811 586745690 /nfs/dbraw/zinc/74/56/90/586745690.db2.gz HPQXPMBMEOHMBN-UHFFFAOYSA-N 1 2 329.404 0.723 20 30 ECEDLO N#C[C@@H]1CN(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CCN1C1CC1 ZINC000839478401 586858591 /nfs/dbraw/zinc/85/85/91/586858591.db2.gz FJBGZSUCCGFSND-CQSZACIVSA-N 1 2 338.371 0.472 20 30 ECEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)C1 ZINC000805470002 586910488 /nfs/dbraw/zinc/91/04/88/586910488.db2.gz UAWAUQYUTSVRDY-WCQYABFASA-N 1 2 337.401 0.892 20 30 ECEDLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)C1 ZINC000805470002 586910490 /nfs/dbraw/zinc/91/04/90/586910490.db2.gz UAWAUQYUTSVRDY-WCQYABFASA-N 1 2 337.401 0.892 20 30 ECEDLO C[C@H](OC(=O)c1sccc1C#N)C(=O)NCC[NH+]1CCOCC1 ZINC000805973464 586950138 /nfs/dbraw/zinc/95/01/38/586950138.db2.gz MNPBEMCMTURWOS-NSHDSACASA-N 1 2 337.401 0.613 20 30 ECEDLO C[C@@H](OC(=O)Cc1ccc(C#N)cc1)C(=O)NCC[NH+]1CCOCC1 ZINC000805974121 586950517 /nfs/dbraw/zinc/95/05/17/586950517.db2.gz PJLNNKPGKWMXSC-CQSZACIVSA-N 1 2 345.399 0.481 20 30 ECEDLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(C#N)cn1 ZINC000907140142 587017282 /nfs/dbraw/zinc/01/72/82/587017282.db2.gz CQUUBAOBSZVCQP-LBPRGKRZSA-N 1 2 338.433 0.419 20 30 ECEDLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(C#N)cn1 ZINC000907140142 587017285 /nfs/dbraw/zinc/01/72/85/587017285.db2.gz CQUUBAOBSZVCQP-LBPRGKRZSA-N 1 2 338.433 0.419 20 30 ECEDLO C#CCOCCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000907346107 587035083 /nfs/dbraw/zinc/03/50/83/587035083.db2.gz QKXJGJJHUGMREZ-INIZCTEOSA-N 1 2 346.431 0.783 20 30 ECEDLO C#CCOCCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000907346107 587035085 /nfs/dbraw/zinc/03/50/85/587035085.db2.gz QKXJGJJHUGMREZ-INIZCTEOSA-N 1 2 346.431 0.783 20 30 ECEDLO N#Cc1ccc(F)c(CNC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000809460664 587178268 /nfs/dbraw/zinc/17/82/68/587178268.db2.gz NZRHMNNFIUGMAV-CYBMUJFWSA-N 1 2 341.346 0.641 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2c(Br)nnn2C)CC1 ZINC000810202783 587191381 /nfs/dbraw/zinc/19/13/81/587191381.db2.gz OWKGUMMNUHHALM-UHFFFAOYSA-N 1 2 326.198 0.359 20 30 ECEDLO C#CCSCCNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000810429137 587196321 /nfs/dbraw/zinc/19/63/21/587196321.db2.gz YHLLALPPSVMLAQ-CQSZACIVSA-N 1 2 336.461 0.966 20 30 ECEDLO C#CCSCCNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000810429137 587196322 /nfs/dbraw/zinc/19/63/22/587196322.db2.gz YHLLALPPSVMLAQ-CQSZACIVSA-N 1 2 336.461 0.966 20 30 ECEDLO N#CCOc1cccc(NC(=O)C(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000810461084 587196930 /nfs/dbraw/zinc/19/69/30/587196930.db2.gz OSGDPKTTZWMVPX-UHFFFAOYSA-N 1 2 325.328 0.766 20 30 ECEDLO Cn1c[nH+]cc1CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000812196398 587232548 /nfs/dbraw/zinc/23/25/48/587232548.db2.gz PIVZTYPOAXXFSC-YPMHNXCESA-N 1 2 348.407 0.978 20 30 ECEDLO CON(C)C(=O)CC[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000819230928 587473246 /nfs/dbraw/zinc/47/32/46/587473246.db2.gz ZTXOXCZRASBCJN-NWDGAFQWSA-N 1 2 326.397 0.745 20 30 ECEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CCN(O)C3=O)cn2c1 ZINC000820185245 587515451 /nfs/dbraw/zinc/51/54/51/587515451.db2.gz LDUHEQKJNSODMW-GFCCVEGCSA-N 1 2 334.401 0.982 20 30 ECEDLO C#C[C@H](NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)c1ccccc1 ZINC000820600605 587543656 /nfs/dbraw/zinc/54/36/56/587543656.db2.gz ZUOLWZSLSCIHFU-HNNXBMFYSA-N 1 2 328.416 0.952 20 30 ECEDLO C#CCN1C(=O)C[C@H]([N@@H+]2CCc3c(cccc3NC(C)=O)C2)C1=O ZINC000821771916 587630026 /nfs/dbraw/zinc/63/00/26/587630026.db2.gz ULJKXPJUJZSGJO-INIZCTEOSA-N 1 2 325.368 0.764 20 30 ECEDLO C#CCN1C(=O)C[C@H]([N@H+]2CCc3c(cccc3NC(C)=O)C2)C1=O ZINC000821771916 587630027 /nfs/dbraw/zinc/63/00/27/587630027.db2.gz ULJKXPJUJZSGJO-INIZCTEOSA-N 1 2 325.368 0.764 20 30 ECEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000824184506 587859106 /nfs/dbraw/zinc/85/91/06/587859106.db2.gz HCIJRIDCSHIUTG-OAHLLOKOSA-N 1 2 326.408 0.927 20 30 ECEDLO C#CCCN(CCOC)C(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000826768859 588082360 /nfs/dbraw/zinc/08/23/60/588082360.db2.gz GREGTDUSMPNJDP-UHFFFAOYSA-N 1 2 342.399 0.491 20 30 ECEDLO CC(C)C#CC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000828402702 588176700 /nfs/dbraw/zinc/17/67/00/588176700.db2.gz FQAIPUGJTUIREE-UHFFFAOYSA-N 1 2 343.431 0.621 20 30 ECEDLO CC(C)C#CC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000828402702 588176702 /nfs/dbraw/zinc/17/67/02/588176702.db2.gz FQAIPUGJTUIREE-UHFFFAOYSA-N 1 2 343.431 0.621 20 30 ECEDLO COC(=O)C1(C#N)CC[NH+]([C@@H](C)C(=O)NC(=O)NCC(C)C)CC1 ZINC000831686821 588441664 /nfs/dbraw/zinc/44/16/64/588441664.db2.gz ARVLYISYWBBFNO-LBPRGKRZSA-N 1 2 338.408 0.635 20 30 ECEDLO COC(=O)C1(C#N)CC[NH+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000831691501 588441965 /nfs/dbraw/zinc/44/19/65/588441965.db2.gz PEIRKBOHEPJEFW-CABCVRRESA-N 1 2 349.431 0.935 20 30 ECEDLO N#Cc1cccc(N2CCN(C(=O)/C=C\C[NH+]3CCOCC3)CC2)n1 ZINC000867415960 589198798 /nfs/dbraw/zinc/19/87/98/589198798.db2.gz MHNHSSMUDJMZCO-DJWKRKHSSA-N 1 2 341.415 0.490 20 30 ECEDLO Cn1cc[nH+]c1[C@@H](CC(=O)N[C@H]1CCCN(O)C1=O)C(F)(F)F ZINC000848131613 589278859 /nfs/dbraw/zinc/27/88/59/589278859.db2.gz AUKQSZUFVUJYJT-BDAKNGLRSA-N 1 2 334.298 0.953 20 30 ECEDLO COC(=O)c1ccc(N2CC[NH+](CC[S@](C)=O)CC2)c(C#N)n1 ZINC000848668473 589305800 /nfs/dbraw/zinc/30/58/00/589305800.db2.gz QTTIDQHLYRBRQP-QHCPKHFHSA-N 1 2 336.417 0.240 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2cccc(OC(=O)NC)c2)CC1 ZINC000853743581 589557605 /nfs/dbraw/zinc/55/76/05/589557605.db2.gz RCBZSGQBCHBMSM-UHFFFAOYSA-N 1 2 331.372 0.561 20 30 ECEDLO C#C[C@H](NC(=O)N(CC[NH+]1CCOCC1)CC1CC1)[C@H]1CCCO1 ZINC000854003532 589567800 /nfs/dbraw/zinc/56/78/00/589567800.db2.gz JHTNQUHIKUBJAF-DLBZAZTESA-N 1 2 335.448 0.921 20 30 ECEDLO C#C[C@@H](NC(=O)N(CC[NH+]1CCOCC1)CC1CC1)[C@@H]1CCCO1 ZINC000854003535 589567825 /nfs/dbraw/zinc/56/78/25/589567825.db2.gz JHTNQUHIKUBJAF-SJORKVTESA-N 1 2 335.448 0.921 20 30 ECEDLO C#C[C@H](CC)NC(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000854079791 589570736 /nfs/dbraw/zinc/57/07/36/589570736.db2.gz HGTZUGWZQLCDRF-MJGOQNOKSA-N 1 2 345.443 0.961 20 30 ECEDLO C#C[C@H](CC)NC(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000854079791 589570737 /nfs/dbraw/zinc/57/07/37/589570737.db2.gz HGTZUGWZQLCDRF-MJGOQNOKSA-N 1 2 345.443 0.961 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)CC1 ZINC000112920916 589617778 /nfs/dbraw/zinc/61/77/78/589617778.db2.gz UUBKJINVLQIJQO-LBPRGKRZSA-N 1 2 347.337 0.927 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000112921199 589617806 /nfs/dbraw/zinc/61/78/06/589617806.db2.gz ZUVKTYPACAOKJA-UHFFFAOYSA-N 1 2 335.429 0.132 20 30 ECEDLO C#C[C@H](NC(=O)C[NH+]1CCN(c2ccccn2)CC1)C1CCOCC1 ZINC000856109039 589654570 /nfs/dbraw/zinc/65/45/70/589654570.db2.gz MXEHIRZDDMGORS-KRWDZBQOSA-N 1 2 342.443 0.748 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnc(F)c(C)c2)CC1 ZINC000857709653 589701625 /nfs/dbraw/zinc/70/16/25/589701625.db2.gz CCCXUTURTJCILH-UHFFFAOYSA-N 1 2 332.379 0.426 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnc(F)c(C)c2)CC1 ZINC000857709653 589701627 /nfs/dbraw/zinc/70/16/27/589701627.db2.gz CCCXUTURTJCILH-UHFFFAOYSA-N 1 2 332.379 0.426 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCOC(=O)N3)CC2)cc1 ZINC000858154465 589727518 /nfs/dbraw/zinc/72/75/18/589727518.db2.gz IXGAVWRVNSGHFQ-HNNXBMFYSA-N 1 2 328.372 0.701 20 30 ECEDLO C#CC[N@@H+](C[C@H](O)COc1ccccc1C#N)[C@H]1CCS(=O)(=O)C1 ZINC000859188199 589806114 /nfs/dbraw/zinc/80/61/14/589806114.db2.gz GKWAZRYELBOXAJ-HOTGVXAUSA-N 1 2 348.424 0.420 20 30 ECEDLO C#CC[N@H+](C[C@H](O)COc1ccccc1C#N)[C@H]1CCS(=O)(=O)C1 ZINC000859188199 589806117 /nfs/dbraw/zinc/80/61/17/589806117.db2.gz GKWAZRYELBOXAJ-HOTGVXAUSA-N 1 2 348.424 0.420 20 30 ECEDLO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(CCCCO)CC1 ZINC000859198360 589806746 /nfs/dbraw/zinc/80/67/46/589806746.db2.gz FQXZKIQONNRIHY-KRWDZBQOSA-N 1 2 333.432 0.688 20 30 ECEDLO CS(=O)(=O)CC[N@H+](C[C@@H](O)COc1ccccc1C#N)C1CC1 ZINC000859205292 589807302 /nfs/dbraw/zinc/80/73/02/589807302.db2.gz CXQWKSXUHNMAMO-OAHLLOKOSA-N 1 2 338.429 0.807 20 30 ECEDLO CS(=O)(=O)CC[N@@H+](C[C@@H](O)COc1ccccc1C#N)C1CC1 ZINC000859205292 589807305 /nfs/dbraw/zinc/80/73/05/589807305.db2.gz CXQWKSXUHNMAMO-OAHLLOKOSA-N 1 2 338.429 0.807 20 30 ECEDLO C#CCCS(=O)(=O)N1Cc2ccc[nH+]c2N2C[C@H](OC)C[C@@H]2C1 ZINC000867623369 589817052 /nfs/dbraw/zinc/81/70/52/589817052.db2.gz CCLFQPWTJLZYDZ-HUUCEWRRSA-N 1 2 335.429 0.844 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)nc1 ZINC000862642128 589952377 /nfs/dbraw/zinc/95/23/77/589952377.db2.gz CSXGQASUZIXYMA-GOSISDBHSA-N 1 2 329.400 0.409 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)nc1 ZINC000862642128 589952378 /nfs/dbraw/zinc/95/23/78/589952378.db2.gz CSXGQASUZIXYMA-GOSISDBHSA-N 1 2 329.400 0.409 20 30 ECEDLO O=S1(=O)CCC[C@@H](N[NH+]=Cc2cnc(N3CCOCC3)s2)C1 ZINC000863132820 589990398 /nfs/dbraw/zinc/99/03/98/589990398.db2.gz GBIZDXUTPXOMAW-LLVKDONJSA-N 1 2 344.462 0.480 20 30 ECEDLO N#Cc1cc(C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)ccc1F ZINC000870063345 589994542 /nfs/dbraw/zinc/99/45/42/589994542.db2.gz YAYHQRURIPLGDM-OAHLLOKOSA-N 1 2 333.363 0.871 20 30 ECEDLO C#CCO[C@H](C)C(=O)O[C@@H]1C[C@@H]2C(=O)NCc3ccc[nH+]c3N2C1 ZINC000870520248 590021100 /nfs/dbraw/zinc/02/11/00/590021100.db2.gz LDKZAUNFPZJAGH-MRVWCRGKSA-N 1 2 329.356 0.240 20 30 ECEDLO Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2nccn2C)c(C#N)c1 ZINC000871806567 590087572 /nfs/dbraw/zinc/08/75/72/590087572.db2.gz DKWGAJMCPGVGAN-AWEZNQCLSA-N 1 2 345.428 0.935 20 30 ECEDLO Cc1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)c(C#N)c1 ZINC000872498781 590121514 /nfs/dbraw/zinc/12/15/14/590121514.db2.gz YQAYOYGHRYBBLL-KBPBESRZSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)c(C#N)c1 ZINC000872498781 590121515 /nfs/dbraw/zinc/12/15/15/590121515.db2.gz YQAYOYGHRYBBLL-KBPBESRZSA-N 1 2 337.445 0.942 20 30 ECEDLO CC[C@@H]1COCC[N@@H+]1CCNS(=O)(=O)N(CC)C[C@H](C)C#N ZINC000872645941 590137624 /nfs/dbraw/zinc/13/76/24/590137624.db2.gz VAFRXXKZZIOQSW-ZIAGYGMSSA-N 1 2 332.470 0.413 20 30 ECEDLO CC[C@@H]1COCC[N@H+]1CCNS(=O)(=O)N(CC)C[C@H](C)C#N ZINC000872645941 590137625 /nfs/dbraw/zinc/13/76/25/590137625.db2.gz VAFRXXKZZIOQSW-ZIAGYGMSSA-N 1 2 332.470 0.413 20 30 ECEDLO C=CCn1c(C2CC2)nn(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c1=S ZINC000872715182 590144556 /nfs/dbraw/zinc/14/45/56/590144556.db2.gz ZCTRYMRJDHIJIU-TXEJJXNPSA-N 1 2 347.444 0.982 20 30 ECEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c1=S ZINC000872715182 590144559 /nfs/dbraw/zinc/14/45/59/590144559.db2.gz ZCTRYMRJDHIJIU-TXEJJXNPSA-N 1 2 347.444 0.982 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](CN3CC4(COC4)CC3=O)CC2)cn1 ZINC000872795053 590149967 /nfs/dbraw/zinc/14/99/67/590149967.db2.gz LJUSFVFOYSTWEB-UHFFFAOYSA-N 1 2 327.388 0.282 20 30 ECEDLO Cn1c[nH+]c(CCNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1 ZINC000873038649 590180487 /nfs/dbraw/zinc/18/04/87/590180487.db2.gz TWMCAVRRDZZWHH-UHFFFAOYSA-N 1 2 339.403 0.761 20 30 ECEDLO Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000873810747 590203097 /nfs/dbraw/zinc/20/30/97/590203097.db2.gz ZOULFCHARMZTOL-GFCCVEGCSA-N 1 2 348.378 0.469 20 30 ECEDLO Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000873810747 590203099 /nfs/dbraw/zinc/20/30/99/590203099.db2.gz ZOULFCHARMZTOL-GFCCVEGCSA-N 1 2 348.378 0.469 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CCSc2ncnc3[nH]cnc32)CC1 ZINC000874469031 590242964 /nfs/dbraw/zinc/24/29/64/590242964.db2.gz YRSISLZEOYBUPR-UHFFFAOYSA-N 1 2 330.417 0.613 20 30 ECEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000874707553 590249961 /nfs/dbraw/zinc/24/99/61/590249961.db2.gz MRYCVOZSDSZFQU-MRXNPFEDSA-N 1 2 344.415 0.515 20 30 ECEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000874707553 590249963 /nfs/dbraw/zinc/24/99/63/590249963.db2.gz MRYCVOZSDSZFQU-MRXNPFEDSA-N 1 2 344.415 0.515 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000875086725 590269323 /nfs/dbraw/zinc/26/93/23/590269323.db2.gz UDWGSABPEKJAEK-AWEZNQCLSA-N 1 2 346.431 0.423 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000875288318 590290192 /nfs/dbraw/zinc/29/01/92/590290192.db2.gz SQFWMXSEEOBWMB-DOTOQJQBSA-N 1 2 343.427 0.834 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000875288318 590290194 /nfs/dbraw/zinc/29/01/94/590290194.db2.gz SQFWMXSEEOBWMB-DOTOQJQBSA-N 1 2 343.427 0.834 20 30 ECEDLO C#CCOCCNC(=O)N1Cc2ccc[nH+]c2N2C[C@H](OC)C[C@@H]2C1 ZINC000875485290 590305109 /nfs/dbraw/zinc/30/51/09/590305109.db2.gz HXIJXEWTXSDART-HZPDHXFCSA-N 1 2 344.415 0.850 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000875602224 590313774 /nfs/dbraw/zinc/31/37/74/590313774.db2.gz ZMNMSNWABQYSMS-HNNXBMFYSA-N 1 2 344.415 0.453 20 30 ECEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879533189 590320498 /nfs/dbraw/zinc/32/04/98/590320498.db2.gz BWKPVWNEUJDQCL-MJBXVCDLSA-N 1 2 327.340 0.319 20 30 ECEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879533189 590320501 /nfs/dbraw/zinc/32/05/01/590320501.db2.gz BWKPVWNEUJDQCL-MJBXVCDLSA-N 1 2 327.340 0.319 20 30 ECEDLO C#CCN1CCN(C(=O)C[NH+]2CCN(c3cccc(F)c3)CC2)CC1 ZINC000879589294 590326135 /nfs/dbraw/zinc/32/61/35/590326135.db2.gz YFLWMQCLXABWJU-UHFFFAOYSA-N 1 2 344.434 0.725 20 30 ECEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879695225 590335544 /nfs/dbraw/zinc/33/55/44/590335544.db2.gz UZPDGYKRGLVXRH-UTUOFQBUSA-N 1 2 349.456 0.968 20 30 ECEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879695225 590335547 /nfs/dbraw/zinc/33/55/47/590335547.db2.gz UZPDGYKRGLVXRH-UTUOFQBUSA-N 1 2 349.456 0.968 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+](C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000880083601 590367422 /nfs/dbraw/zinc/36/74/22/590367422.db2.gz UKAMVOYZXAZYNL-AWEZNQCLSA-N 1 2 346.387 0.955 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000880083601 590367425 /nfs/dbraw/zinc/36/74/25/590367425.db2.gz UKAMVOYZXAZYNL-AWEZNQCLSA-N 1 2 346.387 0.955 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc3ccc(=O)oc3c2)CC1 ZINC000128234409 590370219 /nfs/dbraw/zinc/37/02/19/590370219.db2.gz HEEGPXZEQUJWHX-UHFFFAOYSA-N 1 2 326.352 0.949 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccn(CCF)n1 ZINC000880764504 590417926 /nfs/dbraw/zinc/41/79/26/590417926.db2.gz CTZUOEKVABZSKU-UHFFFAOYSA-N 1 2 338.387 0.932 20 30 ECEDLO C[C@@H]1CN(C(=O)Nc2cc3n(n2)CC[N@H+](C)C3)C[C@@H](C)N1CC#N ZINC000880822218 590423112 /nfs/dbraw/zinc/42/31/12/590423112.db2.gz PUWBWRQWVGJBAN-CHWSQXEVSA-N 1 2 331.424 0.779 20 30 ECEDLO C[C@@H]1CN(C(=O)Nc2cc3n(n2)CC[N@@H+](C)C3)C[C@@H](C)N1CC#N ZINC000880822218 590423114 /nfs/dbraw/zinc/42/31/14/590423114.db2.gz PUWBWRQWVGJBAN-CHWSQXEVSA-N 1 2 331.424 0.779 20 30 ECEDLO CC(C)(C)OC(=O)N1CC[NH+](CCn2cc(CNCC#N)nn2)CC1 ZINC000881344664 590448299 /nfs/dbraw/zinc/44/82/99/590448299.db2.gz XBLBZASKYACGCM-UHFFFAOYSA-N 1 2 349.439 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ZINC000878913498 590550889 /nfs/dbraw/zinc/55/08/89/590550889.db2.gz RQWUUZKETCPQII-UHFFFAOYSA-N 1 2 345.468 0.941 20 30 ECEDLO N#CCCc1ccc(S(=O)(=O)N2CC[NH+](CCCO)CC2)cc1 ZINC000885085923 590682164 /nfs/dbraw/zinc/68/21/64/590682164.db2.gz XATHTRLSHMOWPY-UHFFFAOYSA-N 1 2 337.445 0.831 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)OC)n(C)c2)C1 ZINC000885511077 590728998 /nfs/dbraw/zinc/72/89/98/590728998.db2.gz BLKHLQSGEFHONV-GFCCVEGCSA-N 1 2 339.417 0.188 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)OC)n(C)c2)C1 ZINC000885511077 590729002 /nfs/dbraw/zinc/72/90/02/590729002.db2.gz BLKHLQSGEFHONV-GFCCVEGCSA-N 1 2 339.417 0.188 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)C2(CC(=O)OCC)CC2)C1 ZINC000885508529 590729300 /nfs/dbraw/zinc/72/93/00/590729300.db2.gz HPZQXGRAEZHLKP-ZDUSSCGKSA-N 1 2 328.434 0.489 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)C2(CC(=O)OCC)CC2)C1 ZINC000885508529 590729303 /nfs/dbraw/zinc/72/93/03/590729303.db2.gz HPZQXGRAEZHLKP-ZDUSSCGKSA-N 1 2 328.434 0.489 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccsc2C(=O)OC)C1 ZINC000885513956 590730004 /nfs/dbraw/zinc/73/00/04/590730004.db2.gz LBABNORQWWMSAE-NSHDSACASA-N 1 2 342.442 0.911 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccsc2C(=O)OC)C1 ZINC000885513956 590730007 /nfs/dbraw/zinc/73/00/07/590730007.db2.gz LBABNORQWWMSAE-NSHDSACASA-N 1 2 342.442 0.911 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(CC(F)F)[C@H](CC)C1 ZINC000884319427 590803427 /nfs/dbraw/zinc/80/34/27/590803427.db2.gz VFCQVEIHMVVPKE-NEPJUHHUSA-N 1 2 333.379 0.621 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H](NC(=O)N2CCCC2)[C@@H](C)CC)CC1 ZINC000134931679 590847732 /nfs/dbraw/zinc/84/77/32/590847732.db2.gz PCVUYGFZIFXKGG-HOTGVXAUSA-N 1 2 334.464 0.984 20 30 ECEDLO C[C@@]1(C#N)CN(C(=O)c2cccn2CC[NH+]2CCOCC2)CCO1 ZINC000887688070 590992628 /nfs/dbraw/zinc/99/26/28/590992628.db2.gz BLHBLVNJCVUTQZ-QGZVFWFLSA-N 1 2 332.404 0.575 20 30 ECEDLO N#Cc1ccc(C(=O)NC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)[nH]1 ZINC000946588556 611356156 /nfs/dbraw/zinc/35/61/56/611356156.db2.gz MTXAFLQQQQDMRN-UHFFFAOYSA-N 1 2 340.387 0.963 20 30 ECEDLO N#Cc1ccc(C(=O)NC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)[nH]1 ZINC000947996733 611374096 /nfs/dbraw/zinc/37/40/96/611374096.db2.gz BRDKQTKEWROGGE-UHFFFAOYSA-N 1 2 326.360 0.573 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000935790153 611401741 /nfs/dbraw/zinc/40/17/41/611401741.db2.gz XTWCFNTWHMJJDM-YVSFHVDLSA-N 1 2 338.448 0.964 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000948102252 611428458 /nfs/dbraw/zinc/42/84/58/611428458.db2.gz HAGJHIOHQUAQPU-OLZOCXBDSA-N 1 2 329.404 0.712 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000948102253 611428531 /nfs/dbraw/zinc/42/85/31/611428531.db2.gz HAGJHIOHQUAQPU-QWHCGFSZSA-N 1 2 329.404 0.712 20 30 ECEDLO COCC[NH+]1CCN(C(=O)C(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000931593091 611551843 /nfs/dbraw/zinc/55/18/43/611551843.db2.gz UYMMJHYAPOEZKX-UHFFFAOYSA-N 1 2 348.378 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/nfs/dbraw/zinc/94/42/00/609944200.db2.gz PLTCCRSJZLEFGT-GJZGRUSLSA-N 1 2 337.468 0.725 20 30 ECEDLO Cc1cccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c1C#N ZINC000917055266 609960103 /nfs/dbraw/zinc/96/01/03/609960103.db2.gz DWTLYFUMXDVEOB-CQSZACIVSA-N 1 2 334.445 0.535 20 30 ECEDLO Cc1cccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c1C#N ZINC000917055266 609960104 /nfs/dbraw/zinc/96/01/04/609960104.db2.gz DWTLYFUMXDVEOB-CQSZACIVSA-N 1 2 334.445 0.535 20 30 ECEDLO C#CC[C@@H](CO)NC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000918009258 609992464 /nfs/dbraw/zinc/99/24/64/609992464.db2.gz BQYDRDSEOHEAQP-ZWKOTPCHSA-N 1 2 345.443 0.613 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000938940576 610052850 /nfs/dbraw/zinc/05/28/50/610052850.db2.gz JUJJDXNSXUOTDQ-XHSDSOJGSA-N 1 2 346.431 0.924 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000939764036 610121076 /nfs/dbraw/zinc/12/10/76/610121076.db2.gz ADNXLWKSKPPILS-ZNMIVQPWSA-N 1 2 332.404 0.534 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)nc1 ZINC000939305986 610156641 /nfs/dbraw/zinc/15/66/41/610156641.db2.gz DAUQQJFPVZILRN-CQSZACIVSA-N 1 2 337.383 0.702 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cn(C4CCC4)nn3)CC2)C1 ZINC000941413365 610303030 /nfs/dbraw/zinc/30/30/30/610303030.db2.gz WFGZHCWFVDHJFY-UHFFFAOYSA-N 1 2 328.420 0.078 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3cnccc3C)CC2)C1 ZINC000941443846 610309042 /nfs/dbraw/zinc/30/90/42/610309042.db2.gz VHGDPXGOBCIBNQ-UHFFFAOYSA-N 1 2 326.444 0.784 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(C4CC4)nn3CC)CC2)C1 ZINC000941448451 610323397 /nfs/dbraw/zinc/32/33/97/610323397.db2.gz BNCNMSQUOVNWTC-UHFFFAOYSA-N 1 2 341.459 0.856 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCc3cncc(C)c3)CC2)C1 ZINC000941484216 610337248 /nfs/dbraw/zinc/33/72/48/610337248.db2.gz ROCXNQYCBOMHKB-UHFFFAOYSA-N 1 2 326.444 0.784 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@]34CCO[C@@H]3CCCC4)CC2)C1 ZINC000941484369 610337381 /nfs/dbraw/zinc/33/73/81/610337381.db2.gz VIDBKKKDYNSYCN-MJGOQNOKSA-N 1 2 331.460 0.797 20 30 ECEDLO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000940704762 610338063 /nfs/dbraw/zinc/33/80/63/610338063.db2.gz CZJXGMJBLGLUJI-QMTHXVAHSA-N 1 2 326.360 0.429 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c[nH]nc3[C@@H]3CCCO3)CC2)C1 ZINC000941529519 610361765 /nfs/dbraw/zinc/36/17/65/610361765.db2.gz RAKWZFPNXBGDDA-INIZCTEOSA-N 1 2 343.431 0.336 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3c(C)cc(C)[nH]c3=O)CC2)C1 ZINC000941532493 610363988 /nfs/dbraw/zinc/36/39/88/610363988.db2.gz YTUFITARFBDWML-UHFFFAOYSA-N 1 2 342.443 0.408 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC(=O)N(CCC)C3)CC2)C1 ZINC000941586998 610397203 /nfs/dbraw/zinc/39/72/03/610397203.db2.gz HVGYOFFBLUWUMR-INIZCTEOSA-N 1 2 346.475 0.097 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@]3(C)CCN(C(C)=O)C3)CC2)C1 ZINC000941634455 610420153 /nfs/dbraw/zinc/42/01/53/610420153.db2.gz GZEFGWZHBZIMET-LJQANCHMSA-N 1 2 346.475 0.097 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)COc3ccccc3C)CC2)C1 ZINC000941657252 610431062 /nfs/dbraw/zinc/43/10/62/610431062.db2.gz VYBFXTHGLZFKAJ-UHFFFAOYSA-N 1 2 327.428 0.835 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc4c(cn3)OCCC4)CC2)C1 ZINC000941653326 610443093 /nfs/dbraw/zinc/44/30/93/610443093.db2.gz OSFDIKUYOTVPDT-UHFFFAOYSA-N 1 2 340.427 0.482 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000942447199 610454354 /nfs/dbraw/zinc/45/43/54/610454354.db2.gz DMFYCMSVKMHWGF-YUELXQCFSA-N 1 2 332.404 0.271 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)COc3ccc(F)cc3)CC2)C1 ZINC000941665452 610456624 /nfs/dbraw/zinc/45/66/24/610456624.db2.gz YYECPMKDTMJPRB-UHFFFAOYSA-N 1 2 331.391 0.666 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CN(C)c3ccccc3)CC2)C1 ZINC000941681631 610460800 /nfs/dbraw/zinc/46/08/00/610460800.db2.gz ULKYJEVPSXMYNQ-UHFFFAOYSA-N 1 2 340.471 0.975 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnc(OCC)cn3)CC2)C1 ZINC000941691132 610466196 /nfs/dbraw/zinc/46/61/96/610466196.db2.gz SKOWCDSYVQGTQM-UHFFFAOYSA-N 1 2 343.431 0.341 20 30 ECEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)C(C)(C)C1 ZINC000941068224 610524652 /nfs/dbraw/zinc/52/46/52/610524652.db2.gz NLNKFPHPVHSKHA-ZIAGYGMSSA-N 1 2 326.462 0.661 20 30 ECEDLO C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)C(C)(C)C1 ZINC000941068224 610524653 /nfs/dbraw/zinc/52/46/53/610524653.db2.gz NLNKFPHPVHSKHA-ZIAGYGMSSA-N 1 2 326.462 0.661 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)C1 ZINC000942603322 610534734 /nfs/dbraw/zinc/53/47/34/610534734.db2.gz VOOLDHXPVFHYMB-OLZOCXBDSA-N 1 2 333.436 0.791 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)C1 ZINC000942603322 610534736 /nfs/dbraw/zinc/53/47/36/610534736.db2.gz VOOLDHXPVFHYMB-OLZOCXBDSA-N 1 2 333.436 0.791 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2cnn(C)n2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941965452 610587404 /nfs/dbraw/zinc/58/74/04/610587404.db2.gz ASWQQCMHDDUEQT-RISCZKNCSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2cnn(C)n2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941965452 610587406 /nfs/dbraw/zinc/58/74/06/610587406.db2.gz ASWQQCMHDDUEQT-RISCZKNCSA-N 1 2 327.392 0.655 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCc3cnn(C)c3C)CC2)C1 ZINC000941424587 610724737 /nfs/dbraw/zinc/72/47/37/610724737.db2.gz RLNPBGLNTCFXFX-UHFFFAOYSA-N 1 2 329.448 0.123 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCCCN(C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC000943166606 610738244 /nfs/dbraw/zinc/73/82/44/610738244.db2.gz RTJVQKSJIRGSIV-ZDUSSCGKSA-N 1 2 340.387 0.963 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC000943339996 610808624 /nfs/dbraw/zinc/80/86/24/610808624.db2.gz NEJQMBYRFQLNON-CQSZACIVSA-N 1 2 340.387 0.894 20 30 ECEDLO O=C(N[C@@H]1CCN(O)C1=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000816693279 611283602 /nfs/dbraw/zinc/28/36/02/611283602.db2.gz HRLJWAZQUCTCAD-SNVBAGLBSA-N 1 2 331.288 0.500 20 30 ECEDLO N#Cc1cc(C(=O)N2CCC(NC(=O)Cc3c[nH]c[nH+]3)CC2)c[nH]1 ZINC000946518313 611297070 /nfs/dbraw/zinc/29/70/70/611297070.db2.gz XOPCFQFHVYFADV-UHFFFAOYSA-N 1 2 326.360 0.573 20 30 ECEDLO C#CC[C@@H]1NC(=O)N([C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1=O ZINC000842242000 611312924 /nfs/dbraw/zinc/31/29/24/611312924.db2.gz CEFIDFCWNICYGT-SJORKVTESA-N 1 2 341.411 0.874 20 30 ECEDLO C=CC[C@@H]1CC[N@H+]1CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000934464940 611801765 /nfs/dbraw/zinc/80/17/65/611801765.db2.gz BARCJYKENXCIMS-GFCCVEGCSA-N 1 2 334.420 0.618 20 30 ECEDLO C=CC[C@@H]1CC[N@@H+]1CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000934464940 611801768 /nfs/dbraw/zinc/80/17/68/611801768.db2.gz BARCJYKENXCIMS-GFCCVEGCSA-N 1 2 334.420 0.618 20 30 ECEDLO Cc1noc(C[NH+]2CCC3(CC2)CN(C(=O)[C@H](C)C#N)CCO3)n1 ZINC000949051863 611829475 /nfs/dbraw/zinc/82/94/75/611829475.db2.gz QXCOSNYQBICWQS-GFCCVEGCSA-N 1 2 333.392 0.731 20 30 ECEDLO CCc1noc(C[NH+]2CCC3(CC2)CN(C(=O)[C@@H](C)C#N)CCO3)n1 ZINC000949053964 611830883 /nfs/dbraw/zinc/83/08/83/611830883.db2.gz QOJBTZIFLGOIDF-ZDUSSCGKSA-N 1 2 347.419 0.985 20 30 ECEDLO N#Cc1cc(C(=O)NCC2CCN(C(=O)Cn3cc[nH+]c3)CC2)c[nH]1 ZINC000949118873 611860389 /nfs/dbraw/zinc/86/03/89/611860389.db2.gz OFVBHIMNUDAESR-UHFFFAOYSA-N 1 2 340.387 0.751 20 30 ECEDLO N#CCN1CCC2(CC1)CN(C(=O)[C@H]1CCn3c[nH+]cc3C1)CCO2 ZINC000949124354 611862897 /nfs/dbraw/zinc/86/28/97/611862897.db2.gz WLOXZIJXNTYZSA-HNNXBMFYSA-N 1 2 343.431 0.662 20 30 ECEDLO N#CCN1CCC2(CC1)CN(C(=O)[C@@H]1CCn3cc[nH+]c3C1)CCO2 ZINC000949127135 611864039 /nfs/dbraw/zinc/86/40/39/611864039.db2.gz UPUXEQFFEHFQBP-OAHLLOKOSA-N 1 2 343.431 0.662 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000950739742 611874658 /nfs/dbraw/zinc/87/46/58/611874658.db2.gz ACURMADDGVCSOJ-LSDHHAIUSA-N 1 2 326.400 0.576 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1CCN1C(=O)C#CC1CC1)C2 ZINC000950748002 611885395 /nfs/dbraw/zinc/88/53/95/611885395.db2.gz GWTCGKCJGCAFJW-CABCVRRESA-N 1 2 340.427 0.954 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CCN1C(=O)C#CC1CC1)CC2 ZINC000950748002 611885396 /nfs/dbraw/zinc/88/53/96/611885396.db2.gz GWTCGKCJGCAFJW-CABCVRRESA-N 1 2 340.427 0.954 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[nH]1 ZINC000950767567 611898322 /nfs/dbraw/zinc/89/83/22/611898322.db2.gz IBNFYVOUSOJTOO-JHJVBQTASA-N 1 2 338.371 0.744 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[nH]1 ZINC000950767567 611898323 /nfs/dbraw/zinc/89/83/23/611898323.db2.gz IBNFYVOUSOJTOO-JHJVBQTASA-N 1 2 338.371 0.744 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@H]2CCN2C(=O)CCc2[nH]cc[nH+]2)c1 ZINC000949282832 611927498 /nfs/dbraw/zinc/92/74/98/611927498.db2.gz AEEUTRDFAJZCAZ-GFCCVEGCSA-N 1 2 326.360 0.573 20 30 ECEDLO C[C@@H](C(N)=O)[N@@H+]1CCOC2(CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000949343824 611946001 /nfs/dbraw/zinc/94/60/01/611946001.db2.gz TZOJQXMCMBRWHB-LBPRGKRZSA-N 1 2 345.403 0.067 20 30 ECEDLO C[C@@H](C(N)=O)[N@H+]1CCOC2(CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000949343824 611946004 /nfs/dbraw/zinc/94/60/04/611946004.db2.gz TZOJQXMCMBRWHB-LBPRGKRZSA-N 1 2 345.403 0.067 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000950321107 611969861 /nfs/dbraw/zinc/96/98/61/611969861.db2.gz XBWNFWPOXCQBSR-GFCCVEGCSA-N 1 2 326.360 0.573 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cc(C(N)=O)co3)CC2)C1 ZINC000949469104 611990650 /nfs/dbraw/zinc/99/06/50/611990650.db2.gz RJAVYBYPXNIFJK-UHFFFAOYSA-N 1 2 331.372 0.319 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cc(C(N)=O)co3)CC2)C1 ZINC000949469104 611990652 /nfs/dbraw/zinc/99/06/52/611990652.db2.gz RJAVYBYPXNIFJK-UHFFFAOYSA-N 1 2 331.372 0.319 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCN3C(C)=O)CC2)C1 ZINC000949512187 612015717 /nfs/dbraw/zinc/01/57/17/612015717.db2.gz PLCFZVWLKYSWLK-INIZCTEOSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCN3C(C)=O)CC2)C1 ZINC000949512187 612015718 /nfs/dbraw/zinc/01/57/18/612015718.db2.gz PLCFZVWLKYSWLK-INIZCTEOSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)CCN3CCCC3=O)CC2)C1 ZINC000949526378 612021192 /nfs/dbraw/zinc/02/11/92/612021192.db2.gz RFXFDJUQJJYDIV-UHFFFAOYSA-N 1 2 333.432 0.326 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)CCN3CCCC3=O)CC2)C1 ZINC000949526378 612021194 /nfs/dbraw/zinc/02/11/94/612021194.db2.gz RFXFDJUQJJYDIV-UHFFFAOYSA-N 1 2 333.432 0.326 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000950517864 612049824 /nfs/dbraw/zinc/04/98/24/612049824.db2.gz UQINNRFQIGPLPX-CYBMUJFWSA-N 1 2 340.387 0.881 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000951510013 612284253 /nfs/dbraw/zinc/28/42/53/612284253.db2.gz BTPKHKLXJONMNK-CYBMUJFWSA-N 1 2 340.387 0.881 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[NH+](CCc3cnn(C)c3)CC2)nn1 ZINC000951607214 612393392 /nfs/dbraw/zinc/39/33/92/612393392.db2.gz IRRYFDIVOLXYHT-UHFFFAOYSA-N 1 2 343.435 0.588 20 30 ECEDLO CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CN(C(=O)C#CC2CC2)C1 ZINC000954601581 612435360 /nfs/dbraw/zinc/43/53/60/612435360.db2.gz PYSMLEGRCVZWFL-CQSZACIVSA-N 1 2 326.400 0.528 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1C[NH+](CCn2cncn2)C1 ZINC000952446246 612436639 /nfs/dbraw/zinc/43/66/39/612436639.db2.gz BOYLDBDGDUPIFI-HOTGVXAUSA-N 1 2 333.436 0.792 20 30 ECEDLO C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC000951746559 612544874 /nfs/dbraw/zinc/54/48/74/612544874.db2.gz ZTPXTFJYPYILRJ-SJORKVTESA-N 1 2 347.459 0.712 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@](C)(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000956835692 612606496 /nfs/dbraw/zinc/60/64/96/612606496.db2.gz OSJZBBWFFKZKKD-KRWDZBQOSA-N 1 2 340.387 0.881 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC000951814105 612653394 /nfs/dbraw/zinc/65/33/94/612653394.db2.gz DVSUGABXOJEVEP-OAHLLOKOSA-N 1 2 337.383 0.750 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000951817012 612659534 /nfs/dbraw/zinc/65/95/34/612659534.db2.gz PKHJIKSJJMZNRO-HNNXBMFYSA-N 1 2 337.383 0.750 20 30 ECEDLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H](C)C#N)C1 ZINC000954820001 612712558 /nfs/dbraw/zinc/71/25/58/612712558.db2.gz PSYFAUROYOAFST-UKRRQHHQSA-N 1 2 336.436 0.316 20 30 ECEDLO CCCC[N@H+]1CCOC[C@@H]1C(=O)N(C)C1CN(C(=O)[C@H](C)C#N)C1 ZINC000954820001 612712561 /nfs/dbraw/zinc/71/25/61/612712561.db2.gz PSYFAUROYOAFST-UKRRQHHQSA-N 1 2 336.436 0.316 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000954837525 612730724 /nfs/dbraw/zinc/73/07/24/612730724.db2.gz PEAGHVNVDRWKLW-CABCVRRESA-N 1 2 332.404 0.223 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C2CN(C(=O)CCc3[nH]cc[nH+]3)C2)nc1 ZINC000954913452 612782861 /nfs/dbraw/zinc/78/28/61/612782861.db2.gz NKXSTGZUEYCTCK-UHFFFAOYSA-N 1 2 337.383 0.702 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000955729693 612797700 /nfs/dbraw/zinc/79/77/00/612797700.db2.gz QOTHHLVCOPUUDM-OLZOCXBDSA-N 1 2 340.387 0.892 20 30 ECEDLO CCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C2)CC1 ZINC000956570952 612914281 /nfs/dbraw/zinc/91/42/81/612914281.db2.gz METFIXVQLDVEFM-HNNXBMFYSA-N 1 2 329.404 0.655 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H](C)OC)CC2)C1 ZINC000956582652 612917749 /nfs/dbraw/zinc/91/77/49/612917749.db2.gz DBNMPJVXCLTVED-HUUCEWRRSA-N 1 2 337.464 0.979 20 30 ECEDLO COCCN1CC[N@H+](C)C2(CCN(c3cncc(C#N)n3)CC2)C1=O ZINC001164634714 719270358 /nfs/dbraw/zinc/27/03/58/719270358.db2.gz MGKKOOZCBAUCFI-UHFFFAOYSA-N 1 2 344.419 0.108 20 30 ECEDLO COCCN1CC[N@@H+](C)C2(CCN(c3cncc(C#N)n3)CC2)C1=O ZINC001164634714 719270359 /nfs/dbraw/zinc/27/03/59/719270359.db2.gz MGKKOOZCBAUCFI-UHFFFAOYSA-N 1 2 344.419 0.108 20 30 ECEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cncc(C#N)n1 ZINC001164697990 719844848 /nfs/dbraw/zinc/84/48/48/719844848.db2.gz DDOZQZKIGQHVQS-YOEHRIQHSA-N 1 2 345.403 0.581 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(-c4ccoc4)n[nH]3)[C@H]2C1 ZINC001083274978 738412553 /nfs/dbraw/zinc/41/25/53/738412553.db2.gz JPSKZDPDXOAAKM-JKSUJKDBSA-N 1 2 326.356 0.828 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(-c4ccoc4)n[nH]3)[C@H]2C1 ZINC001083274978 738412556 /nfs/dbraw/zinc/41/25/56/738412556.db2.gz JPSKZDPDXOAAKM-JKSUJKDBSA-N 1 2 326.356 0.828 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)cn2C)[C@@H](n2ccnn2)C1 ZINC001069974020 790266143 /nfs/dbraw/zinc/26/61/43/790266143.db2.gz OWGQLHHORWKIKM-HIFRSBDPSA-N 1 2 346.822 0.949 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(Cl)cn2C)[C@@H](n2ccnn2)C1 ZINC001069974020 790266149 /nfs/dbraw/zinc/26/61/49/790266149.db2.gz OWGQLHHORWKIKM-HIFRSBDPSA-N 1 2 346.822 0.949 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ncccc2OCC)C1 ZINC001211498081 731736532 /nfs/dbraw/zinc/73/65/32/731736532.db2.gz XLRUBKOVKBWFEO-ZIAGYGMSSA-N 1 2 344.415 0.280 20 30 ECEDLO C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ncccc2OCC)C1 ZINC001211498081 731736533 /nfs/dbraw/zinc/73/65/33/731736533.db2.gz 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736262424 /nfs/dbraw/zinc/26/24/24/736262424.db2.gz UOISKGLOWKSKNU-KRWDZBQOSA-N 1 2 340.387 0.065 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccc4nnnn4c3)C2)C1 ZINC000972463476 736262425 /nfs/dbraw/zinc/26/24/25/736262425.db2.gz UOISKGLOWKSKNU-KRWDZBQOSA-N 1 2 340.387 0.065 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nncn4CC3)C2)C1 ZINC000972470308 736276654 /nfs/dbraw/zinc/27/66/54/736276654.db2.gz CQOZRHACNLXDNW-YJBOKZPZSA-N 1 2 343.431 0.167 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4nncn4CC3)C2)C1 ZINC000972470308 736276657 /nfs/dbraw/zinc/27/66/57/736276657.db2.gz CQOZRHACNLXDNW-YJBOKZPZSA-N 1 2 343.431 0.167 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCc4nn[nH]c43)C2)C1 ZINC000972525056 736570744 /nfs/dbraw/zinc/57/07/44/736570744.db2.gz XZPVOWPMGLYTLK-DYVFJYSZSA-N 1 2 331.420 0.714 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCc4nn[nH]c43)C2)C1 ZINC000972525056 736570747 /nfs/dbraw/zinc/57/07/47/736570747.db2.gz XZPVOWPMGLYTLK-DYVFJYSZSA-N 1 2 331.420 0.714 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3Cc4ccncc4C3)C2)C1 ZINC000972552343 736698838 /nfs/dbraw/zinc/69/88/38/736698838.db2.gz OEAMEONOZQDSFZ-VQIMIIECSA-N 1 2 325.412 0.733 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3Cc4ccncc4C3)C2)C1 ZINC000972552343 736698839 /nfs/dbraw/zinc/69/88/39/736698839.db2.gz OEAMEONOZQDSFZ-VQIMIIECSA-N 1 2 325.412 0.733 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(N(C)C)nn3)C2)C1 ZINC000972640365 737203280 /nfs/dbraw/zinc/20/32/80/737203280.db2.gz IZFABHLXBNHBNJ-GOSISDBHSA-N 1 2 343.431 0.483 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(N(C)C)nn3)C2)C1 ZINC000972640365 737203285 /nfs/dbraw/zinc/20/32/85/737203285.db2.gz IZFABHLXBNHBNJ-GOSISDBHSA-N 1 2 343.431 0.483 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCN3C(=O)C(C)C)C2)C1 ZINC000972673623 737343242 /nfs/dbraw/zinc/34/32/42/737343242.db2.gz KBNORIAMVYMOGV-VQIMIIECSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCN3C(=O)C(C)C)C2)C1 ZINC000972673623 737343245 /nfs/dbraw/zinc/34/32/45/737343245.db2.gz KBNORIAMVYMOGV-VQIMIIECSA-N 1 2 347.459 0.570 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3nc4ncccn4n3)C2)C1 ZINC000972678939 737360135 /nfs/dbraw/zinc/36/01/35/737360135.db2.gz XTFJHYCADPZHNI-QGZVFWFLSA-N 1 2 342.403 0.156 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3nc4ncccn4n3)C2)C1 ZINC000972678939 737360138 /nfs/dbraw/zinc/36/01/38/737360138.db2.gz XTFJHYCADPZHNI-QGZVFWFLSA-N 1 2 342.403 0.156 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nnc(C)n4C3)C2)C1 ZINC000972687020 737379077 /nfs/dbraw/zinc/37/90/77/737379077.db2.gz FFDRMGUQUOULFT-QAPCUYQASA-N 1 2 343.431 0.085 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nnc(C)n4C3)C2)C1 ZINC000972687020 737379084 /nfs/dbraw/zinc/37/90/84/737379084.db2.gz FFDRMGUQUOULFT-QAPCUYQASA-N 1 2 343.431 0.085 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCN3C(=O)CCC)C2)C1 ZINC000972688490 737383720 /nfs/dbraw/zinc/38/37/20/737383720.db2.gz OOFOWHHSPXJQDQ-APWZRJJASA-N 1 2 347.459 0.714 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCN3C(=O)CCC)C2)C1 ZINC000972688490 737383725 /nfs/dbraw/zinc/38/37/25/737383725.db2.gz OOFOWHHSPXJQDQ-APWZRJJASA-N 1 2 347.459 0.714 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nnc(C)n4C3)C2)C1 ZINC000972689429 737387459 /nfs/dbraw/zinc/38/74/59/737387459.db2.gz YHPBEXBRSMKTSC-QAPCUYQASA-N 1 2 345.447 0.638 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nnc(C)n4C3)C2)C1 ZINC000972689429 737387463 /nfs/dbraw/zinc/38/74/63/737387463.db2.gz YHPBEXBRSMKTSC-QAPCUYQASA-N 1 2 345.447 0.638 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)ccn3)C2)C1 ZINC000972708023 737518587 /nfs/dbraw/zinc/51/85/87/737518587.db2.gz NZHBYHJBOVBRBC-SFHVURJKSA-N 1 2 342.399 0.121 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cc(C(N)=O)ccn3)C2)C1 ZINC000972708023 737518591 /nfs/dbraw/zinc/51/85/91/737518591.db2.gz NZHBYHJBOVBRBC-SFHVURJKSA-N 1 2 342.399 0.121 20 30 ECEDLO Cn1nncc1C[N@@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001024399831 737940966 /nfs/dbraw/zinc/94/09/66/737940966.db2.gz PHBFWPHPNSKCCN-CQSZACIVSA-N 1 2 327.392 0.799 20 30 ECEDLO Cn1nncc1C[N@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001024399831 737940967 /nfs/dbraw/zinc/94/09/67/737940967.db2.gz PHBFWPHPNSKCCN-CQSZACIVSA-N 1 2 327.392 0.799 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cnnn2C)nn1 ZINC001024698496 738228878 /nfs/dbraw/zinc/22/88/78/738228878.db2.gz JNQKBXMWCVEQJV-ZDUSSCGKSA-N 1 2 344.423 0.377 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cnnn2C)nn1 ZINC001024698496 738228879 /nfs/dbraw/zinc/22/88/79/738228879.db2.gz JNQKBXMWCVEQJV-ZDUSSCGKSA-N 1 2 344.423 0.377 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2cnc(C)nc2)nn1 ZINC001028188257 751423159 /nfs/dbraw/zinc/42/31/59/751423159.db2.gz YFAGGDNPGGUNQR-OAHLLOKOSA-N 1 2 341.419 0.957 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cnc(C)nc2)nn1 ZINC001028188257 751423162 /nfs/dbraw/zinc/42/31/62/751423162.db2.gz YFAGGDNPGGUNQR-OAHLLOKOSA-N 1 2 341.419 0.957 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2cnnn2C)nn1 ZINC001028192832 751433369 /nfs/dbraw/zinc/43/33/69/751433369.db2.gz REFXPXHENQSFJN-ZDUSSCGKSA-N 1 2 344.423 0.377 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cnnn2C)nn1 ZINC001028192832 751433373 /nfs/dbraw/zinc/43/33/73/751433373.db2.gz REFXPXHENQSFJN-ZDUSSCGKSA-N 1 2 344.423 0.377 20 30 ECEDLO C[C@H](NC(=O)c1c[nH]c(C#N)c1)[C@H]1CCC[N@H+](Cc2nnnn2C)C1 ZINC001025389936 739352854 /nfs/dbraw/zinc/35/28/54/739352854.db2.gz GRQNGSUPSNFFSK-RYUDHWBXSA-N 1 2 342.407 0.440 20 30 ECEDLO C[C@H](NC(=O)c1c[nH]c(C#N)c1)[C@H]1CCC[N@@H+](Cc2nnnn2C)C1 ZINC001025389936 739352859 /nfs/dbraw/zinc/35/28/59/739352859.db2.gz GRQNGSUPSNFFSK-RYUDHWBXSA-N 1 2 342.407 0.440 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000973488912 739388804 /nfs/dbraw/zinc/38/88/04/739388804.db2.gz YYCBQCDNYBZREY-WKILWMFISA-N 1 2 336.395 0.940 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2CCc3nnnn3CC2)CC1 ZINC000982003485 751445035 /nfs/dbraw/zinc/44/50/35/751445035.db2.gz XYOFCZYLBMGYGW-ZDUSSCGKSA-N 1 2 338.843 0.912 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2CCc3nnnn3CC2)CC1 ZINC000982003485 751445037 /nfs/dbraw/zinc/44/50/37/751445037.db2.gz XYOFCZYLBMGYGW-ZDUSSCGKSA-N 1 2 338.843 0.912 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2O)C1 ZINC001025549094 739705256 /nfs/dbraw/zinc/70/52/56/739705256.db2.gz YRAOKJFFFJETIQ-QHSBEEBCSA-N 1 2 344.415 0.557 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2O)C1 ZINC001025549094 739705262 /nfs/dbraw/zinc/70/52/62/739705262.db2.gz YRAOKJFFFJETIQ-QHSBEEBCSA-N 1 2 344.415 0.557 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@H]2O)C1 ZINC001025545807 739707145 /nfs/dbraw/zinc/70/71/45/739707145.db2.gz OOAMBRQDJVZIDT-NWANDNLSSA-N 1 2 346.431 0.633 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@H]2O)C1 ZINC001025545807 739707147 /nfs/dbraw/zinc/70/71/47/739707147.db2.gz OOAMBRQDJVZIDT-NWANDNLSSA-N 1 2 346.431 0.633 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2Cc3ccc(F)cc32)[C@@H](n2ccnn2)C1 ZINC001070007918 790309454 /nfs/dbraw/zinc/30/94/54/790309454.db2.gz HCICPYSRKFSGTD-ZACQAIPSSA-N 1 2 339.374 0.732 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2Cc3ccc(F)cc32)[C@@H](n2ccnn2)C1 ZINC001070007918 790309458 /nfs/dbraw/zinc/30/94/58/790309458.db2.gz HCICPYSRKFSGTD-ZACQAIPSSA-N 1 2 339.374 0.732 20 30 ECEDLO CN(C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)c1cnc(C#N)cn1 ZINC001058694794 740588387 /nfs/dbraw/zinc/58/83/87/740588387.db2.gz GMNODJQOSMZLMX-ZDUSSCGKSA-N 1 2 339.403 0.989 20 30 ECEDLO CC(C)C[C@@H](CNc1ccnc(C#N)n1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001104997065 741120118 /nfs/dbraw/zinc/12/01/18/741120118.db2.gz LSJWBONRTFOXCO-ZDUSSCGKSA-N 1 2 327.392 0.679 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccc(C)o3)C2)nn1 ZINC001105216545 741488893 /nfs/dbraw/zinc/48/88/93/741488893.db2.gz VXZZQDNWHWWJQF-UHFFFAOYSA-N 1 2 327.388 0.918 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccnn3C(C)C)C2)nn1 ZINC001105249397 741553283 /nfs/dbraw/zinc/55/32/83/741553283.db2.gz SWBLLPSMZSXHCE-UHFFFAOYSA-N 1 2 327.392 0.475 20 30 ECEDLO C=CCN1CC[C@@H]([NH2+]C2CCC(NC(=O)c3[nH]ncc3F)CC2)C1=O ZINC001026555171 741553576 /nfs/dbraw/zinc/55/35/76/741553576.db2.gz NGDFNJQNFABDOJ-ORHYLEIMSA-N 1 2 349.410 0.966 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC000982134839 751648181 /nfs/dbraw/zinc/64/81/81/751648181.db2.gz IYXOCRAQJUJANL-JYJNAYRXSA-N 1 2 335.448 0.781 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@H+]([C@H]2CCNC2=O)CC1 ZINC000982134839 751648186 /nfs/dbraw/zinc/64/81/86/751648186.db2.gz IYXOCRAQJUJANL-JYJNAYRXSA-N 1 2 335.448 0.781 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCO[C@@H]3C(C)C)C2)nn1 ZINC001105259652 741581680 /nfs/dbraw/zinc/58/16/80/741581680.db2.gz HCCVHWFJQKMGRA-JKSUJKDBSA-N 1 2 331.420 0.445 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccn(CC(F)F)n3)C2)nn1 ZINC001105264600 741595450 /nfs/dbraw/zinc/59/54/50/741595450.db2.gz MRHKFMDJUOLUPF-UHFFFAOYSA-N 1 2 349.345 0.160 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C(F)F)ncn3)C2)nn1 ZINC001105268361 741610149 /nfs/dbraw/zinc/61/01/49/741610149.db2.gz LCDCZEZEUJXCJL-UHFFFAOYSA-N 1 2 347.329 0.426 20 30 ECEDLO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001026618103 741618899 /nfs/dbraw/zinc/61/88/99/741618899.db2.gz FIMCJJIMJAPEBP-UKPHBRMFSA-N 1 2 340.427 0.822 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ncc4ccccn43)C2)nn1 ZINC001105280855 741637620 /nfs/dbraw/zinc/63/76/20/741637620.db2.gz GXENUPIJOXRWQQ-UHFFFAOYSA-N 1 2 349.398 0.736 20 30 ECEDLO CC(C)[C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)Nc1ccnc(C#N)n1 ZINC001105291434 741652896 /nfs/dbraw/zinc/65/28/96/741652896.db2.gz IXCUAQBSWIXWRX-OCCSQVGLSA-N 1 2 341.419 0.925 20 30 ECEDLO CC(C)[C@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)Nc1ccnc(C#N)n1 ZINC001105291434 741652899 /nfs/dbraw/zinc/65/28/99/741652899.db2.gz IXCUAQBSWIXWRX-OCCSQVGLSA-N 1 2 341.419 0.925 20 30 ECEDLO C=C1CCC(C(=O)N(CCO)CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001058727018 741656968 /nfs/dbraw/zinc/65/69/68/741656968.db2.gz UULMKTCZGOILEJ-UHFFFAOYSA-N 1 2 334.420 0.636 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(n2cc(C[NH2+][C@@H](CC)C(N)=O)nn2)C1 ZINC001105297703 741675486 /nfs/dbraw/zinc/67/54/86/741675486.db2.gz SYOPZROVUWXUHY-ZDUSSCGKSA-N 1 2 334.424 0.227 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc4ccccc4nn3)C2)nn1 ZINC001105297956 741676503 /nfs/dbraw/zinc/67/65/03/741676503.db2.gz ZCKLXGMQOJUTMU-UHFFFAOYSA-N 1 2 347.382 0.641 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@]3(C)C=CCC3)C2)nn1 ZINC001105303303 741698591 /nfs/dbraw/zinc/69/85/91/741698591.db2.gz IUESRGYTDMWANA-GOSISDBHSA-N 1 2 343.431 0.757 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](NC(=O)Cn3cnnn3)C2)c1 ZINC001006684998 751670284 /nfs/dbraw/zinc/67/02/84/751670284.db2.gz OHCNNSYVVCEYMB-CQSZACIVSA-N 1 2 343.366 0.465 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](NC(=O)Cn3cnnn3)C2)c1 ZINC001006684998 751670289 /nfs/dbraw/zinc/67/02/89/751670289.db2.gz OHCNNSYVVCEYMB-CQSZACIVSA-N 1 2 343.366 0.465 20 30 ECEDLO C=C1CCC(C(=O)N2CC(n3cc(C[NH2+]CC(=O)NC)nn3)C2)CC1 ZINC001105320928 741773121 /nfs/dbraw/zinc/77/31/21/741773121.db2.gz QAKFLHXSUKJFKY-UHFFFAOYSA-N 1 2 346.435 0.243 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccn(C)c3C)C2)nn1 ZINC001105323520 741789071 /nfs/dbraw/zinc/78/90/71/741789071.db2.gz DPNMAJWUBATLGO-UHFFFAOYSA-N 1 2 326.404 0.735 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC000974765397 742154630 /nfs/dbraw/zinc/15/46/30/742154630.db2.gz LRYXILLEUFWWIS-MGPQQGTHSA-N 1 2 329.404 0.572 20 30 ECEDLO Cn1nnc(C(=O)N[C@H]2C[N@H+](Cc3ccc(C#N)s3)CC2(C)C)n1 ZINC000974950017 742386089 /nfs/dbraw/zinc/38/60/89/742386089.db2.gz RMCRNJWKVFLDMD-LBPRGKRZSA-N 1 2 345.432 0.784 20 30 ECEDLO Cn1nnc(C(=O)N[C@H]2C[N@@H+](Cc3ccc(C#N)s3)CC2(C)C)n1 ZINC000974950017 742386095 /nfs/dbraw/zinc/38/60/95/742386095.db2.gz RMCRNJWKVFLDMD-LBPRGKRZSA-N 1 2 345.432 0.784 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)[nH]1 ZINC000975222625 742600705 /nfs/dbraw/zinc/60/07/05/742600705.db2.gz SFWAGQMXXPAXPB-ZDUSSCGKSA-N 1 2 340.387 0.751 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](Cc3ncnn3CC)C2)nc1 ZINC001028936515 742919757 /nfs/dbraw/zinc/91/97/57/742919757.db2.gz ZCCCDPHSKYKEFS-OAHLLOKOSA-N 1 2 338.415 0.926 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+](Cc3ncnn3CC)C2)nc1 ZINC001028936515 742919760 /nfs/dbraw/zinc/91/97/60/742919760.db2.gz ZCCCDPHSKYKEFS-OAHLLOKOSA-N 1 2 338.415 0.926 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC000975850325 743353194 /nfs/dbraw/zinc/35/31/94/743353194.db2.gz ZAGRCFWGPWOLJL-HRCADAONSA-N 1 2 349.475 0.979 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC000975850325 743353197 /nfs/dbraw/zinc/35/31/97/743353197.db2.gz ZAGRCFWGPWOLJL-HRCADAONSA-N 1 2 349.475 0.979 20 30 ECEDLO C#Cc1ccccc1CC(=O)NC1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000997245054 743402592 /nfs/dbraw/zinc/40/25/92/743402592.db2.gz LWYADBXKDGWVFK-UHFFFAOYSA-N 1 2 336.395 0.824 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc(CC)s3)C2)nn1 ZINC001105380954 743436678 /nfs/dbraw/zinc/43/66/78/743436678.db2.gz JUDKUDIGINZPTA-UHFFFAOYSA-N 1 2 330.417 0.717 20 30 ECEDLO Cn1cc(C[N@H+](C)[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001027355657 743923109 /nfs/dbraw/zinc/92/31/09/743923109.db2.gz YYVJUTHIGVOJKT-AWEZNQCLSA-N 1 2 327.392 0.751 20 30 ECEDLO Cn1cc(C[N@@H+](C)[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001027355657 743923112 /nfs/dbraw/zinc/92/31/12/743923112.db2.gz YYVJUTHIGVOJKT-AWEZNQCLSA-N 1 2 327.392 0.751 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000998060243 743954277 /nfs/dbraw/zinc/95/42/77/743954277.db2.gz XQTXDRXNPPICIH-GJZGRUSLSA-N 1 2 326.462 0.757 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000998060243 743954279 /nfs/dbraw/zinc/95/42/79/743954279.db2.gz XQTXDRXNPPICIH-GJZGRUSLSA-N 1 2 326.462 0.757 20 30 ECEDLO Cc1c[nH+]c2cc(C(=O)N[C@@H]3[C@H]4CN(C(=O)[C@@H](C)C#N)C[C@H]43)ccn12 ZINC000976555380 744080537 /nfs/dbraw/zinc/08/05/37/744080537.db2.gz LLMFXLUHRHGVMY-YZOIGVHSSA-N 1 2 337.383 0.989 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(C)nc3OC)C2)nn1 ZINC001105339170 744298725 /nfs/dbraw/zinc/29/87/25/744298725.db2.gz KJZKFSXELPRWIT-UHFFFAOYSA-N 1 2 340.387 0.410 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000976873901 744433293 /nfs/dbraw/zinc/43/32/93/744433293.db2.gz ZOINLBLHPZXGPG-KDEOKCCVSA-N 1 2 344.415 0.127 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)nc1 ZINC000976917025 744476233 /nfs/dbraw/zinc/47/62/33/744476233.db2.gz SJIICXKCXCMIQG-HALDLXJZSA-N 1 2 335.367 0.215 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCCN(C(=O)c3[nH]nnc3C)C2)C1=O ZINC001027517884 744937574 /nfs/dbraw/zinc/93/75/74/744937574.db2.gz KPKMFQGRPJIQAV-UONOGXRCSA-N 1 2 346.435 0.436 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)c3[nH]nnc3C)C2)C1=O ZINC001027517884 744937575 /nfs/dbraw/zinc/93/75/75/744937575.db2.gz KPKMFQGRPJIQAV-UONOGXRCSA-N 1 2 346.435 0.436 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001000013364 745182132 /nfs/dbraw/zinc/18/21/32/745182132.db2.gz FQOJIJHMCAKHJB-GLQYFDAESA-N 1 2 332.404 0.506 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001000013364 745182136 /nfs/dbraw/zinc/18/21/36/745182136.db2.gz FQOJIJHMCAKHJB-GLQYFDAESA-N 1 2 332.404 0.506 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001029245085 745428550 /nfs/dbraw/zinc/42/85/50/745428550.db2.gz PAEPRRFFXISMEC-ZQDZILKHSA-N 1 2 339.461 0.646 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC001029245085 745428553 /nfs/dbraw/zinc/42/85/53/745428553.db2.gz PAEPRRFFXISMEC-ZQDZILKHSA-N 1 2 339.461 0.646 20 30 ECEDLO COCCN(CCNC(=O)Cc1c[nH]c[nH+]1)c1cc(C)ncc1C#N ZINC001126523779 745729927 /nfs/dbraw/zinc/72/99/27/745729927.db2.gz PPBGYRLRIRYTHD-UHFFFAOYSA-N 1 2 342.403 0.797 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC000977982327 745745395 /nfs/dbraw/zinc/74/53/95/745745395.db2.gz WIZKBKFAOCOYJW-XYJRDEOASA-N 1 2 340.391 0.079 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC000977982327 745745398 /nfs/dbraw/zinc/74/53/98/745745398.db2.gz WIZKBKFAOCOYJW-XYJRDEOASA-N 1 2 340.391 0.079 20 30 ECEDLO CN(C(=O)Cn1cc[nH+]c1)[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000984099872 745822855 /nfs/dbraw/zinc/82/28/55/745822855.db2.gz GTXBMCOIMAZEGC-AWEZNQCLSA-N 1 2 340.387 0.846 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1cn(C)nn1 ZINC001087545533 745938244 /nfs/dbraw/zinc/93/82/44/745938244.db2.gz OSTGOPQTFZZZFY-DZGCQCFKSA-N 1 2 327.392 0.798 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1cn(C)nn1 ZINC001087545533 745938248 /nfs/dbraw/zinc/93/82/48/745938248.db2.gz OSTGOPQTFZZZFY-DZGCQCFKSA-N 1 2 327.392 0.798 20 30 ECEDLO N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001059331492 745971500 /nfs/dbraw/zinc/97/15/00/745971500.db2.gz YKWSBPQISRCGAY-JHJVBQTASA-N 1 2 337.387 0.866 20 30 ECEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001001099073 746073847 /nfs/dbraw/zinc/07/38/47/746073847.db2.gz FGAKQLWZZLGHHE-NSHDSACASA-N 1 2 343.225 0.325 20 30 ECEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001001099073 746073851 /nfs/dbraw/zinc/07/38/51/746073851.db2.gz FGAKQLWZZLGHHE-NSHDSACASA-N 1 2 343.225 0.325 20 30 ECEDLO CC#CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCCS2(=O)=O)[C@H]1CC ZINC001087672271 746169588 /nfs/dbraw/zinc/16/95/88/746169588.db2.gz KXTNTGLUSJQXAD-SOUVJXGZSA-N 1 2 326.462 0.946 20 30 ECEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCS2(=O)=O)[C@H]1CC ZINC001087672271 746169590 /nfs/dbraw/zinc/16/95/90/746169590.db2.gz KXTNTGLUSJQXAD-SOUVJXGZSA-N 1 2 326.462 0.946 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(CC)cn3)C2)nn1 ZINC001105361080 752067083 /nfs/dbraw/zinc/06/70/83/752067083.db2.gz QFQGDOOKWIJJTQ-UHFFFAOYSA-N 1 2 327.392 0.305 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)/C=C(\C)C2CC2)[C@H](OC)C1 ZINC001211947435 752075640 /nfs/dbraw/zinc/07/56/40/752075640.db2.gz WYQQWNUPTKWCLU-IPHWGRQASA-N 1 2 335.448 0.849 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)/C=C(\C)C2CC2)[C@H](OC)C1 ZINC001211947435 752075644 /nfs/dbraw/zinc/07/56/44/752075644.db2.gz WYQQWNUPTKWCLU-IPHWGRQASA-N 1 2 335.448 0.849 20 30 ECEDLO C[C@H](c1nnnn1C)[NH+]1CCC(CNC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001001329635 746282302 /nfs/dbraw/zinc/28/23/02/746282302.db2.gz HWSKLVPDUIEFLT-LLVKDONJSA-N 1 2 342.407 0.613 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)/C=C(\C)C2CC2)[C@H](OC)C1 ZINC001211947436 752076260 /nfs/dbraw/zinc/07/62/60/752076260.db2.gz WYQQWNUPTKWCLU-KKWMCUJWSA-N 1 2 335.448 0.849 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)/C=C(\C)C2CC2)[C@H](OC)C1 ZINC001211947436 752076262 /nfs/dbraw/zinc/07/62/62/752076262.db2.gz WYQQWNUPTKWCLU-KKWMCUJWSA-N 1 2 335.448 0.849 20 30 ECEDLO CC#CC[N@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H]1CC ZINC001087765674 746307628 /nfs/dbraw/zinc/30/76/28/746307628.db2.gz LTGGKDPUOQPLJR-UONOGXRCSA-N 1 2 342.403 0.064 20 30 ECEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H]1CC ZINC001087765674 746307633 /nfs/dbraw/zinc/30/76/33/746307633.db2.gz LTGGKDPUOQPLJR-UONOGXRCSA-N 1 2 342.403 0.064 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000978423386 746323149 /nfs/dbraw/zinc/32/31/49/746323149.db2.gz YJEHUPFCYCSBHV-ZNMIVQPWSA-N 1 2 346.431 0.993 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2=CC[N@H+](CCS(C)(=O)=O)CC2)cn1 ZINC001001385016 746330866 /nfs/dbraw/zinc/33/08/66/746330866.db2.gz YGHJFOKPQMTLMH-UHFFFAOYSA-N 1 2 347.440 0.469 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2=CC[N@@H+](CCS(C)(=O)=O)CC2)cn1 ZINC001001385016 746330871 /nfs/dbraw/zinc/33/08/71/746330871.db2.gz YGHJFOKPQMTLMH-UHFFFAOYSA-N 1 2 347.440 0.469 20 30 ECEDLO N#Cc1ccc(C(=O)NCC2CN(C(=O)CCc3[nH]cc[nH+]3)C2)[nH]1 ZINC001001478751 746418763 /nfs/dbraw/zinc/41/87/63/746418763.db2.gz WGPJYKYPHHUZLB-UHFFFAOYSA-N 1 2 326.360 0.430 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3cn(C)nn3)C2)nc1 ZINC001027656061 746593958 /nfs/dbraw/zinc/59/39/58/746593958.db2.gz JNQBKEBZTMAQSL-MRXNPFEDSA-N 1 2 338.415 0.928 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3cn(C)nn3)C2)nc1 ZINC001027656061 746593962 /nfs/dbraw/zinc/59/39/62/746593962.db2.gz JNQBKEBZTMAQSL-MRXNPFEDSA-N 1 2 338.415 0.928 20 30 ECEDLO C=CCCCC(=O)N1CC[C@@H](n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001098711466 746761792 /nfs/dbraw/zinc/76/17/92/746761792.db2.gz VFNSNMKKIRHOAO-TZMCWYRMSA-N 1 2 334.424 0.371 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000984710814 746870496 /nfs/dbraw/zinc/87/04/96/746870496.db2.gz ZZFXZXBYVXZDGX-XHSDSOJGSA-N 1 2 346.431 0.993 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000984745540 746898061 /nfs/dbraw/zinc/89/80/61/746898061.db2.gz KDHYKMDAHALUTK-DZGCQCFKSA-N 1 2 340.387 0.892 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000984793919 746944761 /nfs/dbraw/zinc/94/47/61/746944761.db2.gz YVXAHTCCRPMCCQ-UONOGXRCSA-N 1 2 340.387 0.961 20 30 ECEDLO CO[C@@H]1C[N@H+](Cc2nccnc2C)C[C@H]1NC(=O)CSCC#N ZINC001211888678 747126357 /nfs/dbraw/zinc/12/63/57/747126357.db2.gz JFDYDXYFQIGZFG-ZIAGYGMSSA-N 1 2 335.433 0.357 20 30 ECEDLO CO[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@H]1NC(=O)CSCC#N ZINC001211888678 747126363 /nfs/dbraw/zinc/12/63/63/747126363.db2.gz JFDYDXYFQIGZFG-ZIAGYGMSSA-N 1 2 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ZINC001098723269 747732818 /nfs/dbraw/zinc/73/28/18/747732818.db2.gz WPSKIPSXVFVMJI-ZDUSSCGKSA-N 1 2 328.376 0.639 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001007263588 752236027 /nfs/dbraw/zinc/23/60/27/752236027.db2.gz UAZWJQZJAYPDCO-LSDHHAIUSA-N 1 2 328.372 0.747 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001007263588 752236031 /nfs/dbraw/zinc/23/60/31/752236031.db2.gz UAZWJQZJAYPDCO-LSDHHAIUSA-N 1 2 328.372 0.747 20 30 ECEDLO CN(C)c1noc(C[N@H+](C)C[C@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC001029733774 748176036 /nfs/dbraw/zinc/17/60/36/748176036.db2.gz ODWVXCZKUXKZAH-CQSZACIVSA-N 1 2 331.420 0.829 20 30 ECEDLO CN(C)c1noc(C[N@@H+](C)C[C@H]2CCN(C(=O)C#CC3CC3)C2)n1 ZINC001029733774 748176041 /nfs/dbraw/zinc/17/60/41/748176041.db2.gz ODWVXCZKUXKZAH-CQSZACIVSA-N 1 2 331.420 0.829 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CN(C)Cc2nnc(C)[nH]2)C1 ZINC001029758449 748271648 /nfs/dbraw/zinc/27/16/48/748271648.db2.gz 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30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001021294073 752756663 /nfs/dbraw/zinc/75/66/63/752756663.db2.gz PICLCCVJFYKLDL-RRFJBIMHSA-N 1 2 335.448 0.589 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001021294073 752756667 /nfs/dbraw/zinc/75/66/67/752756667.db2.gz PICLCCVJFYKLDL-RRFJBIMHSA-N 1 2 335.448 0.589 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2ccsc2)[C@H](OC)C1 ZINC001211795353 752767350 /nfs/dbraw/zinc/76/73/50/752767350.db2.gz JXPGVTGGUNBAJB-BPLDGKMQSA-N 1 2 349.456 0.244 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2ccsc2)[C@H](OC)C1 ZINC001211795353 752767356 /nfs/dbraw/zinc/76/73/56/752767356.db2.gz JXPGVTGGUNBAJB-BPLDGKMQSA-N 1 2 349.456 0.244 20 30 ECEDLO N#Cc1cnccc1N[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001058993928 752781453 /nfs/dbraw/zinc/78/14/53/752781453.db2.gz RLHLJQOQEMNGSD-HIFRSBDPSA-N 1 2 336.399 0.847 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](C)COC)C2)nn1 ZINC001098645668 752801446 /nfs/dbraw/zinc/80/14/46/752801446.db2.gz SIVXIUHHLFTAES-HOCLYGCPSA-N 1 2 349.435 0.073 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](C)COC)C2)nn1 ZINC001098645667 752801641 /nfs/dbraw/zinc/80/16/41/752801641.db2.gz SIVXIUHHLFTAES-GOEBONIOSA-N 1 2 349.435 0.073 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001007698238 752810178 /nfs/dbraw/zinc/81/01/78/752810178.db2.gz ZNGWTDMOZYFLSI-ZDUSSCGKSA-N 1 2 328.844 0.094 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001007698238 752810190 /nfs/dbraw/zinc/81/01/90/752810190.db2.gz ZNGWTDMOZYFLSI-ZDUSSCGKSA-N 1 2 328.844 0.094 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccccc3F)C2)nn1 ZINC001105369417 752977297 /nfs/dbraw/zinc/97/72/97/752977297.db2.gz BEFBFFQSMOKOGH-UHFFFAOYSA-N 1 2 327.363 0.766 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001008016017 753200329 /nfs/dbraw/zinc/20/03/29/753200329.db2.gz PCOXKFSAEDACEV-YPMHNXCESA-N 1 2 337.811 0.699 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001008016017 753200334 /nfs/dbraw/zinc/20/03/34/753200334.db2.gz PCOXKFSAEDACEV-YPMHNXCESA-N 1 2 337.811 0.699 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnn4c3CCC4)C2)nn1 ZINC001098680193 753255292 /nfs/dbraw/zinc/25/52/92/753255292.db2.gz CGLIQRVJHOYQTE-AWEZNQCLSA-N 1 2 339.403 0.231 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2nc(CC3CC3)no2)C1 ZINC001051494342 762204970 /nfs/dbraw/zinc/20/49/70/762204970.db2.gz HWCVFGYQDSSWKN-YPMHNXCESA-N 1 2 333.392 0.499 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2nnc(C(F)F)s2)C1 ZINC001051495652 762209629 /nfs/dbraw/zinc/20/96/29/762209629.db2.gz WEOJGPCYONJBTK-BDAKNGLRSA-N 1 2 345.375 0.952 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2nc(C(F)F)no2)C1 ZINC001051495933 762211120 /nfs/dbraw/zinc/21/11/20/762211120.db2.gz YZFDFIRHJJWZHZ-BDAKNGLRSA-N 1 2 329.307 0.484 20 30 ECEDLO O=C(Cn1cccn1)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001083340181 753609797 /nfs/dbraw/zinc/60/97/97/753609797.db2.gz UISWRYBHXZFICJ-SJORKVTESA-N 1 2 342.374 0.235 20 30 ECEDLO O=C(Cn1cccn1)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1O ZINC001083340181 753609802 /nfs/dbraw/zinc/60/98/02/753609802.db2.gz UISWRYBHXZFICJ-SJORKVTESA-N 1 2 342.374 0.235 20 30 ECEDLO C=C(C)CCC(=O)N1CC[C@@H](n2cc(C[NH2+][C@@H](CC)C(N)=O)nn2)C1 ZINC001098681432 753627602 /nfs/dbraw/zinc/62/76/02/753627602.db2.gz SPBAXMQZPKKGEF-CABCVRRESA-N 1 2 348.451 0.761 20 30 ECEDLO Cc1cnn(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)c1 ZINC001083359064 753670182 /nfs/dbraw/zinc/67/01/82/753670182.db2.gz NTLQEJQUJSKONV-CABCVRRESA-N 1 2 345.428 0.486 20 30 ECEDLO Cc1cnn(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)c1 ZINC001083359064 753670185 /nfs/dbraw/zinc/67/01/85/753670185.db2.gz NTLQEJQUJSKONV-CABCVRRESA-N 1 2 345.428 0.486 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC3CCC3)C2)nn1 ZINC001098649548 753688978 /nfs/dbraw/zinc/68/89/78/753688978.db2.gz TWVVGVHDTBUAHZ-KRWDZBQOSA-N 1 2 345.447 0.981 20 30 ECEDLO CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001105492767 753730219 /nfs/dbraw/zinc/73/02/19/753730219.db2.gz XEYBVNFJHHMBQV-ZDUSSCGKSA-N 1 2 339.403 0.702 20 30 ECEDLO C[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@H]2C2(CNCC#N)CCC2)C1 ZINC001105523213 753785729 /nfs/dbraw/zinc/78/57/29/753785729.db2.gz SOTZWKHCAFWHGC-CVEARBPZSA-N 1 2 334.464 0.982 20 30 ECEDLO C[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@H]2C2(CNCC#N)CCC2)C1 ZINC001105523213 753785731 /nfs/dbraw/zinc/78/57/31/753785731.db2.gz SOTZWKHCAFWHGC-CVEARBPZSA-N 1 2 334.464 0.982 20 30 ECEDLO CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001105564635 753827124 /nfs/dbraw/zinc/82/71/24/753827124.db2.gz MMLJDQCFDXXNAD-ZIAGYGMSSA-N 1 2 339.403 0.780 20 30 ECEDLO CC1(C)CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001008507815 753831865 /nfs/dbraw/zinc/83/18/65/753831865.db2.gz RTVBMUOXRAMSDW-CYBMUJFWSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001014099873 762245976 /nfs/dbraw/zinc/24/59/76/762245976.db2.gz DCQLWJZKXVTTEL-HZMBPMFUSA-N 1 2 326.360 0.571 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC001014102490 762254423 /nfs/dbraw/zinc/25/44/23/762254423.db2.gz MOCKNUCEFLOFKU-LRDDRELGSA-N 1 2 337.383 0.748 20 30 ECEDLO CC1(C)CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001008653194 753994673 /nfs/dbraw/zinc/99/46/73/753994673.db2.gz XOCZQSIDNHVBSG-CQSZACIVSA-N 1 2 340.387 0.819 20 30 ECEDLO C#CCOc1ncccc1C(=O)N1CCC[N@@H+]([C@H](CC)C(N)=O)CC1 ZINC000989508922 754052209 /nfs/dbraw/zinc/05/22/09/754052209.db2.gz YEHWOIRMDNIIHS-OAHLLOKOSA-N 1 2 344.415 0.505 20 30 ECEDLO C#CCOc1ncccc1C(=O)N1CCC[N@H+]([C@H](CC)C(N)=O)CC1 ZINC000989508922 754052213 /nfs/dbraw/zinc/05/22/13/754052213.db2.gz YEHWOIRMDNIIHS-OAHLLOKOSA-N 1 2 344.415 0.505 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+]([C@@H]3CCN(C)C3=O)CC2)nc1 ZINC000989512807 754063956 /nfs/dbraw/zinc/06/39/56/754063956.db2.gz ULXRREOYIISXQK-MRXNPFEDSA-N 1 2 326.400 0.442 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[N@H+]([C@@H]3CCN(C)C3=O)CC2)nc1 ZINC000989512807 754063963 /nfs/dbraw/zinc/06/39/63/754063963.db2.gz ULXRREOYIISXQK-MRXNPFEDSA-N 1 2 326.400 0.442 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCN(C)C3=O)C2)nn1 ZINC001008827276 754166823 /nfs/dbraw/zinc/16/68/23/754166823.db2.gz XPPQLXWUKHBCLR-HIFRSBDPSA-N 1 2 346.435 0.279 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCN(C)C3=O)C2)nn1 ZINC001008827276 754166829 /nfs/dbraw/zinc/16/68/29/754166829.db2.gz XPPQLXWUKHBCLR-HIFRSBDPSA-N 1 2 346.435 0.279 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)c1 ZINC001008922456 754314278 /nfs/dbraw/zinc/31/42/78/754314278.db2.gz OLIHYIYCIFFDOZ-ZSOGYDGISA-N 1 2 338.371 0.286 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3cn(CC)nn3)CC2)C1=O ZINC000983049793 754508606 /nfs/dbraw/zinc/50/86/06/754508606.db2.gz LTLHBFPVDRJYMN-HNNXBMFYSA-N 1 2 346.435 0.233 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3cn(CC)nn3)CC2)C1=O ZINC000983049793 754508611 /nfs/dbraw/zinc/50/86/11/754508611.db2.gz LTLHBFPVDRJYMN-HNNXBMFYSA-N 1 2 346.435 0.233 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001060001719 754555442 /nfs/dbraw/zinc/55/54/42/754555442.db2.gz FDKFTKWDNOBGES-HZPDHXFCSA-N 1 2 346.431 0.666 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ccc(COC)o3)C2)nn1 ZINC001098687607 754635636 /nfs/dbraw/zinc/63/56/36/754635636.db2.gz BAJJLXHTMJQVPI-AWEZNQCLSA-N 1 2 343.387 0.828 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001009257510 754715016 /nfs/dbraw/zinc/71/50/16/754715016.db2.gz DWKZOEVMPXCRCC-KGLIPLIRSA-N 1 2 344.415 0.422 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@H]1CCC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001009257510 754715023 /nfs/dbraw/zinc/71/50/23/754715023.db2.gz DWKZOEVMPXCRCC-KGLIPLIRSA-N 1 2 344.415 0.422 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NC3CC3)C2)cn1 ZINC001009278074 754736333 /nfs/dbraw/zinc/73/63/33/754736333.db2.gz SNIMWVKNBVSZSO-INIZCTEOSA-N 1 2 326.400 0.536 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=O)NC3CC3)C2)cn1 ZINC001009278074 754736335 /nfs/dbraw/zinc/73/63/35/754736335.db2.gz SNIMWVKNBVSZSO-INIZCTEOSA-N 1 2 326.400 0.536 20 30 ECEDLO Cn1cnnc1C[N@@H+]1CC[C@]2(NC(=O)c3cc(C#N)c[nH]3)CCC[C@H]12 ZINC000990160619 754785545 /nfs/dbraw/zinc/78/55/45/754785545.db2.gz JZAPQSYOVQGLSK-WMLDXEAASA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1cnnc1C[N@H+]1CC[C@]2(NC(=O)c3cc(C#N)c[nH]3)CCC[C@H]12 ZINC000990160619 754785548 /nfs/dbraw/zinc/78/55/48/754785548.db2.gz JZAPQSYOVQGLSK-WMLDXEAASA-N 1 2 339.403 0.942 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC000983183509 754806781 /nfs/dbraw/zinc/80/67/81/754806781.db2.gz JBZWIIOWBBJSAK-GFCCVEGCSA-N 1 2 343.391 0.008 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3coc(OCC)n3)C2)nn1 ZINC001098688720 755039334 /nfs/dbraw/zinc/03/93/34/755039334.db2.gz WOSMSSIPORFRQL-ZDUSSCGKSA-N 1 2 344.375 0.475 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCC[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001060039750 755280970 /nfs/dbraw/zinc/28/09/70/755280970.db2.gz IENVJXXYUHZLQN-KDOFPFPSSA-N 1 2 348.447 0.943 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3cnon3)C2)nn1 ZINC001028857748 755322704 /nfs/dbraw/zinc/32/27/04/755322704.db2.gz KALBIMRQDOUOSU-GFCCVEGCSA-N 1 2 331.380 0.489 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3cnon3)C2)nn1 ZINC001028857748 755322707 /nfs/dbraw/zinc/32/27/07/755322707.db2.gz KALBIMRQDOUOSU-GFCCVEGCSA-N 1 2 331.380 0.489 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3nnc(C)o3)C2)nn1 ZINC001028856861 755323561 /nfs/dbraw/zinc/32/35/61/755323561.db2.gz PWQQORWYVBCEOF-ZDUSSCGKSA-N 1 2 345.407 0.798 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3nnc(C)o3)C2)nn1 ZINC001028856861 755323563 /nfs/dbraw/zinc/32/35/63/755323563.db2.gz PWQQORWYVBCEOF-ZDUSSCGKSA-N 1 2 345.407 0.798 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2nncn2C)C1 ZINC001028862902 755334686 /nfs/dbraw/zinc/33/46/86/755334686.db2.gz ZFXAWJOEYZNTNX-DZKIICNBSA-N 1 2 333.436 0.734 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2nncn2C)C1 ZINC001028862902 755334691 /nfs/dbraw/zinc/33/46/91/755334691.db2.gz ZFXAWJOEYZNTNX-DZKIICNBSA-N 1 2 333.436 0.734 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ncnn2C)C1 ZINC001028864403 755335103 /nfs/dbraw/zinc/33/51/03/755335103.db2.gz NHXMIXVFJVHYQP-DZKIICNBSA-N 1 2 333.436 0.734 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ncnn2C)C1 ZINC001028864403 755335107 /nfs/dbraw/zinc/33/51/07/755335107.db2.gz NHXMIXVFJVHYQP-DZKIICNBSA-N 1 2 333.436 0.734 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)nc1 ZINC000983365732 755410949 /nfs/dbraw/zinc/41/09/49/755410949.db2.gz TWEQEKDXNMRFIP-CQSZACIVSA-N 1 2 337.383 0.607 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@H]3CCCCO3)C2)nn1 ZINC001098654033 755455621 /nfs/dbraw/zinc/45/56/21/755455621.db2.gz ZNLKKXZISUSHKI-JKSUJKDBSA-N 1 2 331.420 0.734 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001088793593 755708789 /nfs/dbraw/zinc/70/87/89/755708789.db2.gz MCOCPUZFIIIIDT-LYRGGWFBSA-N 1 2 344.390 0.912 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001088793593 755708792 /nfs/dbraw/zinc/70/87/92/755708792.db2.gz MCOCPUZFIIIIDT-LYRGGWFBSA-N 1 2 344.390 0.912 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(F)=C(C)C)[C@H](OC)C1 ZINC001212122770 755817119 /nfs/dbraw/zinc/81/71/19/755817119.db2.gz QFNGMPCVIKFEIU-JHJVBQTASA-N 1 2 327.400 0.756 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(F)=C(C)C)[C@H](OC)C1 ZINC001212122770 755817125 /nfs/dbraw/zinc/81/71/25/755817125.db2.gz QFNGMPCVIKFEIU-JHJVBQTASA-N 1 2 327.400 0.756 20 30 ECEDLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083536943 755980525 /nfs/dbraw/zinc/98/05/25/755980525.db2.gz SZFKNTCMLFAGLH-RANZSIQMSA-N 1 2 344.411 0.003 20 30 ECEDLO C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001083536943 755980528 /nfs/dbraw/zinc/98/05/28/755980528.db2.gz SZFKNTCMLFAGLH-RANZSIQMSA-N 1 2 344.411 0.003 20 30 ECEDLO N#Cc1cnc(NC[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)cn1 ZINC001060093606 756004752 /nfs/dbraw/zinc/00/47/52/756004752.db2.gz JXINJTXBZAHWTG-LBPRGKRZSA-N 1 2 325.376 0.965 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)[C@@H]2C1 ZINC001076124879 756114128 /nfs/dbraw/zinc/11/41/28/756114128.db2.gz VLICESWQBQSQLP-QJPTWQEYSA-N 1 2 342.237 0.564 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)[C@@H]2C1 ZINC001076124879 756114134 /nfs/dbraw/zinc/11/41/34/756114134.db2.gz VLICESWQBQSQLP-QJPTWQEYSA-N 1 2 342.237 0.564 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cc(OC)no3)C2)nn1 ZINC001098662155 756163418 /nfs/dbraw/zinc/16/34/18/756163418.db2.gz XZCYJKSVENBPMJ-LBPRGKRZSA-N 1 2 330.348 0.085 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)c1 ZINC001010544859 756225809 /nfs/dbraw/zinc/22/58/09/756225809.db2.gz MGWVHRRAMDJIHD-UKRRQHHQSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)c1 ZINC001010544859 756225812 /nfs/dbraw/zinc/22/58/12/756225812.db2.gz MGWVHRRAMDJIHD-UKRRQHHQSA-N 1 2 344.390 0.914 20 30 ECEDLO C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)NC(=O)CCc1[nH+]ccn1C ZINC001076216614 756229244 /nfs/dbraw/zinc/22/92/44/756229244.db2.gz ICCVERTUAJEJAM-LBPRGKRZSA-N 1 2 342.403 0.877 20 30 ECEDLO Cn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)nn1 ZINC001010853350 756602319 /nfs/dbraw/zinc/60/23/19/756602319.db2.gz QMCOIERTNMDWPA-ZDUSSCGKSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)nn1 ZINC001010853350 756602323 /nfs/dbraw/zinc/60/23/23/756602323.db2.gz QMCOIERTNMDWPA-ZDUSSCGKSA-N 1 2 328.351 0.830 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001076510766 756604697 /nfs/dbraw/zinc/60/46/97/756604697.db2.gz UHEMBCCCHAKHBF-KBPBESRZSA-N 1 2 342.399 0.997 20 30 ECEDLO CC(C)(C(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1)c1c[nH+]c[nH]1 ZINC001011026169 756787235 /nfs/dbraw/zinc/78/72/35/756787235.db2.gz OFBZDSJRZPBHQR-UHFFFAOYSA-N 1 2 340.387 0.872 20 30 ECEDLO N#Cc1cc(C(=O)NC2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)c[nH]1 ZINC000990932112 756912272 /nfs/dbraw/zinc/91/22/72/756912272.db2.gz JJKJRAUMVCVQDJ-LLVKDONJSA-N 1 2 338.371 0.286 20 30 ECEDLO N#Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCCO3)C2)ccc1F ZINC001076757610 756975975 /nfs/dbraw/zinc/97/59/75/756975975.db2.gz ANJRBERKGXIMRO-DJIMGWMZSA-N 1 2 347.390 0.928 20 30 ECEDLO N#Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCCO3)C2)ccc1F ZINC001076757610 756975981 /nfs/dbraw/zinc/97/59/81/756975981.db2.gz ANJRBERKGXIMRO-DJIMGWMZSA-N 1 2 347.390 0.928 20 30 ECEDLO N#Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)ccc1F ZINC001076791626 757130106 /nfs/dbraw/zinc/13/01/06/757130106.db2.gz CBOOGHRBUBJWDC-APHBMKBZSA-N 1 2 333.363 0.395 20 30 ECEDLO N#Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CCOC3)C2)ccc1F ZINC001076791626 757130112 /nfs/dbraw/zinc/13/01/12/757130112.db2.gz CBOOGHRBUBJWDC-APHBMKBZSA-N 1 2 333.363 0.395 20 30 ECEDLO C[C@@H]1CC[C@@H](C[NH+]2CC(n3cc(CNC(=O)C#CC4CC4)nn3)C2)O1 ZINC001107169568 757207003 /nfs/dbraw/zinc/20/70/03/757207003.db2.gz ODZYAJVQKMRCEY-DYVFJYSZSA-N 1 2 343.431 0.732 20 30 ECEDLO C#CCOCCC(=O)NCc1cn(C2C[NH+](CC=C(C)C)C2)nn1 ZINC001107169627 757207210 /nfs/dbraw/zinc/20/72/10/757207210.db2.gz OPTKGKLCGJWYSU-UHFFFAOYSA-N 1 2 331.420 0.757 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)Cc3cn(C)nc3C)nn2)C1 ZINC001107179164 757356591 /nfs/dbraw/zinc/35/65/91/757356591.db2.gz DQDSEWXKDNELQT-UHFFFAOYSA-N 1 2 329.408 0.222 20 30 ECEDLO Cc1cncc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)c1 ZINC001076855586 757397424 /nfs/dbraw/zinc/39/74/24/757397424.db2.gz CVKZLEQBKUFBAW-HZPDHXFCSA-N 1 2 325.372 0.565 20 30 ECEDLO Cc1cncc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)c1 ZINC001076855586 757397426 /nfs/dbraw/zinc/39/74/26/757397426.db2.gz CVKZLEQBKUFBAW-HZPDHXFCSA-N 1 2 325.372 0.565 20 30 ECEDLO C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001048916006 757398515 /nfs/dbraw/zinc/39/85/15/757398515.db2.gz DCMNYUQYJOROTO-BPUTZDHNSA-N 1 2 348.447 0.975 20 30 ECEDLO C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001048916006 757398526 /nfs/dbraw/zinc/39/85/26/757398526.db2.gz DCMNYUQYJOROTO-BPUTZDHNSA-N 1 2 348.447 0.975 20 30 ECEDLO Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)sn1 ZINC001076898700 757518330 /nfs/dbraw/zinc/51/83/30/757518330.db2.gz WFYAFYYTPLAWMA-ZIAGYGMSSA-N 1 2 331.401 0.626 20 30 ECEDLO Cc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)sn1 ZINC001076898700 757518335 /nfs/dbraw/zinc/51/83/35/757518335.db2.gz WFYAFYYTPLAWMA-ZIAGYGMSSA-N 1 2 331.401 0.626 20 30 ECEDLO C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001049000267 757650761 /nfs/dbraw/zinc/65/07/61/757650761.db2.gz LSHWWJIPUUHGGD-GJZGRUSLSA-N 1 2 334.420 0.729 20 30 ECEDLO C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001049000267 757650766 /nfs/dbraw/zinc/65/07/66/757650766.db2.gz LSHWWJIPUUHGGD-GJZGRUSLSA-N 1 2 334.420 0.729 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001049000345 757650843 /nfs/dbraw/zinc/65/08/43/757650843.db2.gz NBDOYXXBJHDTGU-RLFYNMQTSA-N 1 2 348.447 0.975 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001049000345 757650846 /nfs/dbraw/zinc/65/08/46/757650846.db2.gz NBDOYXXBJHDTGU-RLFYNMQTSA-N 1 2 348.447 0.975 20 30 ECEDLO Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)nn1 ZINC001076979492 757793122 /nfs/dbraw/zinc/79/31/22/757793122.db2.gz MZVMEDYKDQBDTA-IAGOWNOFSA-N 1 2 337.383 0.632 20 30 ECEDLO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)nn1 ZINC001076979492 757793129 /nfs/dbraw/zinc/79/31/29/757793129.db2.gz MZVMEDYKDQBDTA-IAGOWNOFSA-N 1 2 337.383 0.632 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)COC3CCOCC3)nn2)C1 ZINC001107216160 757798109 /nfs/dbraw/zinc/79/81/09/757798109.db2.gz WNYBVTPEGUKUON-UHFFFAOYSA-N 1 2 335.408 0.133 20 30 ECEDLO C[C@@H](CCNC(=O)CCc1c[nH]c[nH+]1)NC(=O)c1ccc(C#N)[nH]1 ZINC001077015039 757926662 /nfs/dbraw/zinc/92/66/62/757926662.db2.gz YNQFQJMQQDKAJG-NSHDSACASA-N 1 2 328.376 0.867 20 30 ECEDLO C[C@@H](CCNC(=O)CCc1c[nH+]c[nH]1)NC(=O)c1ccc(C#N)[nH]1 ZINC001077015039 757926669 /nfs/dbraw/zinc/92/66/69/757926669.db2.gz YNQFQJMQQDKAJG-NSHDSACASA-N 1 2 328.376 0.867 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C[C@H](C)n3cccn3)nn2)C1 ZINC001107227560 757980714 /nfs/dbraw/zinc/98/07/14/757980714.db2.gz LVQMFASPCQSXCH-ZDUSSCGKSA-N 1 2 329.408 0.785 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001011667001 758251783 /nfs/dbraw/zinc/25/17/83/758251783.db2.gz UIOGLLUFXUDTRZ-DGCLKSJQSA-N 1 2 326.360 0.502 20 30 ECEDLO C[C@H]1[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001011669413 758258065 /nfs/dbraw/zinc/25/80/65/758258065.db2.gz OVKRFTXYNAVFCO-IINYFYTJSA-N 1 2 326.360 0.571 20 30 ECEDLO C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001049193544 758265888 /nfs/dbraw/zinc/26/58/88/758265888.db2.gz PAEXERMEJKSZNV-GJZGRUSLSA-N 1 2 348.447 0.739 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001011702317 758354500 /nfs/dbraw/zinc/35/45/00/758354500.db2.gz PBUORSUSXMKQKC-AAEUAGOBSA-N 1 2 340.387 0.961 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC/C=C/CNc1[nH+]cnc2c1cnn2C ZINC001107346079 758358474 /nfs/dbraw/zinc/35/84/74/758358474.db2.gz LURFBQOECRIJRS-FYJFLYSWSA-N 1 2 328.376 0.486 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC=C(Cl)Cl)C[C@H]1O ZINC001077158924 758375415 /nfs/dbraw/zinc/37/54/15/758375415.db2.gz FIFGRMYNLIIYBK-FRRDWIJNSA-N 1 2 346.258 0.564 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(CC=C(Cl)Cl)C[C@H]1O ZINC001077158924 758375426 /nfs/dbraw/zinc/37/54/26/758375426.db2.gz FIFGRMYNLIIYBK-FRRDWIJNSA-N 1 2 346.258 0.564 20 30 ECEDLO N#Cc1cnc(NC/C=C\CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)cn1 ZINC001107394785 758452239 /nfs/dbraw/zinc/45/22/39/758452239.db2.gz PNQLHNNDEPTPCZ-UIIMQBOASA-N 1 2 337.387 0.892 20 30 ECEDLO N#Cc1nccc(NC/C=C\CNC(=O)[C@H]2CCc3c[nH+]cn3C2)n1 ZINC001107395092 758452868 /nfs/dbraw/zinc/45/28/68/758452868.db2.gz UZHNPDDNRGZERO-FYDYADQUSA-N 1 2 337.387 0.314 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC001049267788 758458993 /nfs/dbraw/zinc/45/89/93/758458993.db2.gz DHNSEFDKKHNMQK-IHRRRGAJSA-N 1 2 334.420 0.585 20 30 ECEDLO C=C[C@H](CC)CC(=O)N(C)[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1O ZINC001049269121 758461759 /nfs/dbraw/zinc/46/17/59/758461759.db2.gz ZIYBFPZDSOMOQX-PMPSAXMXSA-N 1 2 348.447 0.906 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H]2C)nn1 ZINC001011772919 758541573 /nfs/dbraw/zinc/54/15/73/758541573.db2.gz SLOGHRXMFITWMO-STQMWFEESA-N 1 2 343.391 0.080 20 30 ECEDLO C=CCOc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnn(C)n3)C2)cc1 ZINC001022301331 758541655 /nfs/dbraw/zinc/54/16/55/758541655.db2.gz NVVHRDVGIIFKSR-OKILXGFUSA-N 1 2 342.403 0.826 20 30 ECEDLO N#Cc1nccc(N2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]3C2)n1 ZINC001049415984 758654557 /nfs/dbraw/zinc/65/45/57/758654557.db2.gz AGYSIOCHBFXQAV-KGLIPLIRSA-N 1 2 337.387 0.530 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001049450473 758725561 /nfs/dbraw/zinc/72/55/61/758725561.db2.gz YQFNSGAVJMEQQN-ZQIUZPCESA-N 1 2 334.420 0.585 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnn(C(C)(C)C)n2)C1 ZINC001022736892 759066476 /nfs/dbraw/zinc/06/64/76/759066476.db2.gz ISZVATITKAXGJL-RQJABVFESA-N 1 2 348.451 0.756 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)C1 ZINC001077423647 759092986 /nfs/dbraw/zinc/09/29/86/759092986.db2.gz JGDWYGJUDVCVGB-BSDSXHPESA-N 1 2 327.428 0.651 20 30 ECEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)C1 ZINC001077423647 759092991 /nfs/dbraw/zinc/09/29/91/759092991.db2.gz JGDWYGJUDVCVGB-BSDSXHPESA-N 1 2 327.428 0.651 20 30 ECEDLO COCCOCC[NH+]1CC(OC2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001105695372 759127817 /nfs/dbraw/zinc/12/78/17/759127817.db2.gz JHMAGYRLKNEKBT-CQSZACIVSA-N 1 2 339.436 0.501 20 30 ECEDLO C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001049831952 759268374 /nfs/dbraw/zinc/26/83/74/759268374.db2.gz RMGXBKUVDHSUPZ-BZUAXINKSA-N 1 2 338.473 0.900 20 30 ECEDLO C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001049831952 759268378 /nfs/dbraw/zinc/26/83/78/759268378.db2.gz RMGXBKUVDHSUPZ-BZUAXINKSA-N 1 2 338.473 0.900 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001012101162 759410867 /nfs/dbraw/zinc/41/08/67/759410867.db2.gz IYFZGFOSEXWAQL-ZWNOBZJWSA-N 1 2 326.360 0.571 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@@H+](Cc3cnn(C)n3)C[C@H]21 ZINC001050144590 759796283 /nfs/dbraw/zinc/79/62/83/759796283.db2.gz QTKGKVUDSJFRGW-SVGFKBNWSA-N 1 2 345.447 0.829 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@H+](Cc3cnn(C)n3)C[C@H]21 ZINC001050144590 759796289 /nfs/dbraw/zinc/79/62/89/759796289.db2.gz QTKGKVUDSJFRGW-SVGFKBNWSA-N 1 2 345.447 0.829 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[C@H](n2cc(C[NH2+]CC#CC)nn2)C1 ZINC001098672676 759923463 /nfs/dbraw/zinc/92/34/63/759923463.db2.gz ISAHGOBWOKLBRT-ZBFHGGJFSA-N 1 2 329.404 0.203 20 30 ECEDLO CC[C@H]([NH2+]Cc1cn([C@@H]2CCN(C(=O)C#CC(C)C)C2)nn1)C(N)=O ZINC001098672862 760034762 /nfs/dbraw/zinc/03/47/62/760034762.db2.gz JUIQHKDTNHSBSD-CABCVRRESA-N 1 2 346.435 0.064 20 30 ECEDLO CC[C@@H]([NH2+]Cc1cn([C@H]2CCN(C(=O)C#CC(C)C)C2)nn1)C(N)=O ZINC001098672868 760047971 /nfs/dbraw/zinc/04/79/71/760047971.db2.gz JUIQHKDTNHSBSD-LSDHHAIUSA-N 1 2 346.435 0.064 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001012489736 760073605 /nfs/dbraw/zinc/07/36/05/760073605.db2.gz OHJGBSNJBQOYHU-WCQYABFASA-N 1 2 340.387 0.582 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H]([C@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001050297631 760079759 /nfs/dbraw/zinc/07/97/59/760079759.db2.gz OCQNTTSVGHSUNZ-LSDHHAIUSA-N 1 2 348.447 0.909 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001012491626 760080060 /nfs/dbraw/zinc/08/00/60/760080060.db2.gz ZPIBUGIZPNQAFW-GWCFXTLKSA-N 1 2 326.360 0.571 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001012505111 760124253 /nfs/dbraw/zinc/12/42/53/760124253.db2.gz ZTIDTOYBAQXUDA-HZMBPMFUSA-N 1 2 326.360 0.571 20 30 ECEDLO CCCn1nnnc1C[NH+]1CCC2(CN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001050464128 760308523 /nfs/dbraw/zinc/30/85/23/760308523.db2.gz LXEDZAUTBGWJOG-CYBMUJFWSA-N 1 2 331.424 0.667 20 30 ECEDLO C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001050493544 760359496 /nfs/dbraw/zinc/35/94/96/760359496.db2.gz ZQJAOCQDXGBSIU-NWDGAFQWSA-N 1 2 340.387 0.819 20 30 ECEDLO O=C(CN1CCCC1=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032270260 760450664 /nfs/dbraw/zinc/45/06/64/760450664.db2.gz CMKOUVNYUQRLMY-ROUUACIJSA-N 1 2 337.423 0.946 20 30 ECEDLO O=C(CN1CCCC1=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032270260 760450668 /nfs/dbraw/zinc/45/06/68/760450668.db2.gz CMKOUVNYUQRLMY-ROUUACIJSA-N 1 2 337.423 0.946 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3ccoc3)nn2)C1 ZINC001107124949 760491281 /nfs/dbraw/zinc/49/12/81/760491281.db2.gz BVGVPKMASKFJIN-UHFFFAOYSA-N 1 2 331.376 0.860 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001050722551 760727560 /nfs/dbraw/zinc/72/75/60/760727560.db2.gz WLLJLVBVDLKDKD-HUUCEWRRSA-N 1 2 332.404 0.276 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)Cn1cc[nH+]c1 ZINC001013030648 760974149 /nfs/dbraw/zinc/97/41/49/760974149.db2.gz HECJGDKSSWCBDH-YPMHNXCESA-N 1 2 326.360 0.502 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CN1C(=O)Cn1cc[nH+]c1 ZINC001013032005 760977198 /nfs/dbraw/zinc/97/71/98/760977198.db2.gz KOSOKQXNTAXGSS-DGCLKSJQSA-N 1 2 326.360 0.502 20 30 ECEDLO CO[C@@H](C)c1noc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)n1 ZINC001048727993 761054601 /nfs/dbraw/zinc/05/46/01/761054601.db2.gz QRDYQHIPTHYHQR-ZDEQEGDKSA-N 1 2 333.392 0.827 20 30 ECEDLO CO[C@@H](C)c1noc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H](C)C#N)C[C@H]3C2)n1 ZINC001048727993 761054605 /nfs/dbraw/zinc/05/46/05/761054605.db2.gz QRDYQHIPTHYHQR-ZDEQEGDKSA-N 1 2 333.392 0.827 20 30 ECEDLO Cn1cnnc1C[N@H+]1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C1 ZINC001048750206 761109712 /nfs/dbraw/zinc/10/97/12/761109712.db2.gz TUZCFPFEKLKQBH-BETUJISGSA-N 1 2 325.376 0.219 20 30 ECEDLO Cn1cnnc1C[N@@H+]1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C1 ZINC001048750206 761109715 /nfs/dbraw/zinc/10/97/15/761109715.db2.gz TUZCFPFEKLKQBH-BETUJISGSA-N 1 2 325.376 0.219 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc(OCC(N)=O)c1 ZINC001050943399 761183363 /nfs/dbraw/zinc/18/33/63/761183363.db2.gz YFQOJVKTFGVMSP-HNNXBMFYSA-N 1 2 347.415 0.557 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc(OCC(N)=O)c1 ZINC001050943399 761183367 /nfs/dbraw/zinc/18/33/67/761183367.db2.gz YFQOJVKTFGVMSP-HNNXBMFYSA-N 1 2 347.415 0.557 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC(=O)N(CC(C)C)C1 ZINC001050944909 761186987 /nfs/dbraw/zinc/18/69/87/761186987.db2.gz GDSPHCKVXUFVBQ-JKSUJKDBSA-N 1 2 337.464 0.884 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC(=O)N(CC(C)C)C1 ZINC001050944909 761186991 /nfs/dbraw/zinc/18/69/91/761186991.db2.gz GDSPHCKVXUFVBQ-JKSUJKDBSA-N 1 2 337.464 0.884 20 30 ECEDLO C=CC[NH+]1CC(OC2CCN(C(=O)COCc3nccn3C)CC2)C1 ZINC001105713447 761234079 /nfs/dbraw/zinc/23/40/79/761234079.db2.gz FVQXQEDSYQCYGJ-UHFFFAOYSA-N 1 2 348.447 0.815 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccn(CCOC)n1 ZINC001051020143 761349918 /nfs/dbraw/zinc/34/99/18/761349918.db2.gz QSAJJONEIFCVBL-HNNXBMFYSA-N 1 2 336.436 0.926 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccn(CCOC)n1 ZINC001051020143 761349924 /nfs/dbraw/zinc/34/99/24/761349924.db2.gz QSAJJONEIFCVBL-HNNXBMFYSA-N 1 2 336.436 0.926 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cnc2c(c1)ncn2C ZINC001051062383 761421293 /nfs/dbraw/zinc/42/12/93/761421293.db2.gz TYKRRAOIHFSDSG-CQSZACIVSA-N 1 2 329.404 0.975 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnc2c(c1)ncn2C ZINC001051062383 761421299 /nfs/dbraw/zinc/42/12/99/761421299.db2.gz TYKRRAOIHFSDSG-CQSZACIVSA-N 1 2 329.404 0.975 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2COCC[N@H+]2CC2CC(C)C2)nn1 ZINC001051155311 761577442 /nfs/dbraw/zinc/57/74/42/761577442.db2.gz FBINLQPOACNEES-YMAMQOFZSA-N 1 2 333.436 0.941 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2COCC[N@@H+]2CC2CC(C)C2)nn1 ZINC001051155311 761577448 /nfs/dbraw/zinc/57/74/48/761577448.db2.gz FBINLQPOACNEES-YMAMQOFZSA-N 1 2 333.436 0.941 20 30 ECEDLO C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001054588910 768057320 /nfs/dbraw/zinc/05/73/20/768057320.db2.gz UQLCBSOKUXLQKH-GWCFXTLKSA-N 1 2 343.391 0.586 20 30 ECEDLO C=C1CCC(C(=O)N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H](O)C2)CC1 ZINC000991576874 761740165 /nfs/dbraw/zinc/74/01/65/761740165.db2.gz VKESKVSBJGBNRP-JKSUJKDBSA-N 1 2 346.431 0.708 20 30 ECEDLO Cc1cc(N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H](O)C2)c(C#N)cn1 ZINC001051702310 762735398 /nfs/dbraw/zinc/73/53/98/762735398.db2.gz XXTZZTHQYZCAGS-GOEBONIOSA-N 1 2 340.387 0.214 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)C[C@H]3CCNC3=O)C2)c1 ZINC001014711185 763025307 /nfs/dbraw/zinc/02/53/07/763025307.db2.gz MCPCTEIQJAYTCL-UKRRQHHQSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)C[C@H]3CCNC3=O)C2)c1 ZINC001014711185 763025312 /nfs/dbraw/zinc/02/53/12/763025312.db2.gz MCPCTEIQJAYTCL-UKRRQHHQSA-N 1 2 344.390 0.914 20 30 ECEDLO CN1C(=O)CC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001038594261 763181820 /nfs/dbraw/zinc/18/18/20/763181820.db2.gz VPZXGIUAAANNAG-SJORKVTESA-N 1 2 325.412 0.849 20 30 ECEDLO CN1C(=O)CC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001038594261 763181823 /nfs/dbraw/zinc/18/18/23/763181823.db2.gz VPZXGIUAAANNAG-SJORKVTESA-N 1 2 325.412 0.849 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3csnn3)C2)nc1 ZINC001051908073 763302108 /nfs/dbraw/zinc/30/21/08/763302108.db2.gz DDNXTGZJYMFIES-CQSZACIVSA-N 1 2 343.412 0.545 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001014850435 763302161 /nfs/dbraw/zinc/30/21/61/763302161.db2.gz GJATYZGDXTWUNG-OCCSQVGLSA-N 1 2 340.387 0.892 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2O)C1 ZINC000991773035 763378532 /nfs/dbraw/zinc/37/85/32/763378532.db2.gz UUDJENHETKMQNY-OLZOCXBDSA-N 1 2 332.404 0.387 20 30 ECEDLO C[C@H](C(N)=O)[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046928363 763402595 /nfs/dbraw/zinc/40/25/95/763402595.db2.gz PZKAPFLVGQWOAX-MWLCHTKSSA-N 1 2 339.346 0.447 20 30 ECEDLO C[C@H](C(N)=O)[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046928363 763402600 /nfs/dbraw/zinc/40/26/00/763402600.db2.gz PZKAPFLVGQWOAX-MWLCHTKSSA-N 1 2 339.346 0.447 20 30 ECEDLO Cn1c(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)c[nH]c1=O ZINC001031898350 763433378 /nfs/dbraw/zinc/43/33/78/763433378.db2.gz HSMGQRXMYPRHJS-UHFFFAOYSA-N 1 2 343.362 0.998 20 30 ECEDLO CN1C[C@H](C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)NC1=O ZINC001031902245 763471545 /nfs/dbraw/zinc/47/15/45/763471545.db2.gz IWLIFNDEHYOQCC-OAHLLOKOSA-N 1 2 345.378 0.269 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@H+](CC(N)=O)CCC1(F)F ZINC001046972357 763491878 /nfs/dbraw/zinc/49/18/78/763491878.db2.gz DBJDPZZWNBSLCO-TUAOUCFPSA-N 1 2 331.363 0.136 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CC(N)=O)CCC1(F)F ZINC001046972357 763491881 /nfs/dbraw/zinc/49/18/81/763491881.db2.gz DBJDPZZWNBSLCO-TUAOUCFPSA-N 1 2 331.363 0.136 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)Cn3cc(C)cn3)C2)CC1 ZINC001051987090 763521090 /nfs/dbraw/zinc/52/10/90/763521090.db2.gz MCRNVERVNXWFOG-KRWDZBQOSA-N 1 2 331.464 0.986 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(Cc3ccnn3C)CC2)C1 ZINC001051997642 763547318 /nfs/dbraw/zinc/54/73/18/763547318.db2.gz FEXDOCQTVBTWAL-GDBMZVCRSA-N 1 2 330.436 0.298 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(Cc3ccccn3)CC2)C1 ZINC001051997684 763548924 /nfs/dbraw/zinc/54/89/24/763548924.db2.gz FYQMABCJBPANRD-RDJZCZTQSA-N 1 2 327.432 0.960 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H](N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC001051997684 763548931 /nfs/dbraw/zinc/54/89/31/763548931.db2.gz FYQMABCJBPANRD-RDJZCZTQSA-N 1 2 327.432 0.960 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3COCCN3C)C2)CC1 ZINC001052012155 763582342 /nfs/dbraw/zinc/58/23/42/763582342.db2.gz DUWPCSLEWLYADF-SJORKVTESA-N 1 2 336.480 0.112 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3COC(=O)C3)C2)CC1 ZINC001052012730 763583690 /nfs/dbraw/zinc/58/36/90/763583690.db2.gz KPWMNDFBUZDMGM-JKSUJKDBSA-N 1 2 333.432 0.181 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]([NH+]2CCN(Cc3cnon3)CC2)C1 ZINC001052025963 763617490 /nfs/dbraw/zinc/61/74/90/763617490.db2.gz LVBSGSMTMIVCAW-MRXNPFEDSA-N 1 2 329.404 0.202 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]([NH+]2CCN(Cc3ncccn3)CC2)C1 ZINC001052025758 763617604 /nfs/dbraw/zinc/61/76/04/763617604.db2.gz JMWLBOPZBYCNDF-KRWDZBQOSA-N 1 2 339.443 0.609 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cn4c(n3)CCC4)C2)CC1 ZINC001052026146 763618547 /nfs/dbraw/zinc/61/85/47/763618547.db2.gz ATVQHOVRUXENGI-INIZCTEOSA-N 1 2 341.459 0.685 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001014991447 763626139 /nfs/dbraw/zinc/62/61/39/763626139.db2.gz PMBGJVXFNLFDTI-MNOVXSKESA-N 1 2 325.800 0.489 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001014991447 763626146 /nfs/dbraw/zinc/62/61/46/763626146.db2.gz PMBGJVXFNLFDTI-MNOVXSKESA-N 1 2 325.800 0.489 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccn(C(F)F)n3)C2)CC1 ZINC001052033819 763638248 /nfs/dbraw/zinc/63/82/48/763638248.db2.gz VONSUBROMDGUQE-CYBMUJFWSA-N 1 2 337.374 0.744 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccn(C(F)F)n3)C2)CC1 ZINC001052033819 763638253 /nfs/dbraw/zinc/63/82/53/763638253.db2.gz VONSUBROMDGUQE-CYBMUJFWSA-N 1 2 337.374 0.744 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn(C)nc3C3CC3)C2)CC1 ZINC001052035296 763640397 /nfs/dbraw/zinc/64/03/97/763640397.db2.gz GYGLOUFUFJUWRR-MRXNPFEDSA-N 1 2 341.459 0.763 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(OCC)nc3)C2)CC1 ZINC001052035512 763641782 /nfs/dbraw/zinc/64/17/82/763641782.db2.gz KUTNCEQVCDPQJB-KRWDZBQOSA-N 1 2 342.443 0.946 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3c(C4CC4)cnn3C)C2)CC1 ZINC001052035878 763645215 /nfs/dbraw/zinc/64/52/15/763645215.db2.gz SJUXYHRZEDVPKL-INIZCTEOSA-N 1 2 341.459 0.763 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)C3(F)CCOCC3)C2)CC1 ZINC001052036769 763651101 /nfs/dbraw/zinc/65/11/01/763651101.db2.gz UTNPUWKMSDSFRF-INIZCTEOSA-N 1 2 337.439 0.747 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc4n(n3)CCCC4)C2)CC1 ZINC001052040442 763661033 /nfs/dbraw/zinc/66/10/33/763661033.db2.gz GEMWJWKXMPARSB-MRXNPFEDSA-N 1 2 342.447 0.575 20 30 ECEDLO C=CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)S(C)(=O)=O)C2)CC1 ZINC001052043124 763673714 /nfs/dbraw/zinc/67/37/14/763673714.db2.gz PJEZYRMMTFXISQ-HUUCEWRRSA-N 1 2 343.493 0.214 20 30 ECEDLO Cn1ncc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)c1Cl ZINC001052044045 763676889 /nfs/dbraw/zinc/67/68/89/763676889.db2.gz BMHGCUUDQVHHBS-LBPRGKRZSA-N 1 2 336.827 0.429 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)CC1 ZINC001052047798 763692708 /nfs/dbraw/zinc/69/27/08/763692708.db2.gz AQFLOBLHMOTTPQ-CVEARBPZSA-N 1 2 334.464 0.307 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnc4ccccn34)C2)CC1 ZINC001052048182 763694948 /nfs/dbraw/zinc/69/49/48/763694948.db2.gz NGCJPSSCEMDEPI-HNNXBMFYSA-N 1 2 338.415 0.690 20 30 ECEDLO CCCc1c(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)cnn1C ZINC001052048542 763696187 /nfs/dbraw/zinc/69/61/87/763696187.db2.gz XEMCWWZOGXIATN-OAHLLOKOSA-N 1 2 344.463 0.728 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)CC1 ZINC001052048507 763696907 /nfs/dbraw/zinc/69/69/07/763696907.db2.gz WGTLFLYKFAQWLG-KRWDZBQOSA-N 1 2 342.443 0.241 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cccc4nccn43)C2)CC1 ZINC001052050529 763706795 /nfs/dbraw/zinc/70/67/95/763706795.db2.gz WSVXZLFQBRWZBI-HNNXBMFYSA-N 1 2 338.415 0.690 20 30 ECEDLO COCc1ccc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)o1 ZINC001052050456 763707418 /nfs/dbraw/zinc/70/74/18/763707418.db2.gz VHBZDSOJANUCDT-AWEZNQCLSA-N 1 2 332.404 0.782 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)CCc3ccon3)C2)CC1 ZINC001052052589 763716613 /nfs/dbraw/zinc/71/66/13/763716613.db2.gz QREPOUIQNMWNRC-KRWDZBQOSA-N 1 2 330.432 0.849 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCNC(=O)CC3)C2)CC1 ZINC001052057914 763733565 /nfs/dbraw/zinc/73/35/65/763733565.db2.gz VATTYWVGRIKCNP-IRXDYDNUSA-N 1 2 346.475 0.145 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn4cccnc34)C2)CC1 ZINC001052061011 763742642 /nfs/dbraw/zinc/74/26/42/763742642.db2.gz QLUGXNCXQZFWMN-CQSZACIVSA-N 1 2 339.403 0.085 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(C)nc[nH]c3=O)C2)CC1 ZINC001052068365 763762023 /nfs/dbraw/zinc/76/20/23/763762023.db2.gz GMXWSNPNJAJHFB-CQSZACIVSA-N 1 2 331.420 0.509 20 30 ECEDLO C=CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c(C)nc[nH]c3=O)C2)CC1 ZINC001052068365 763762026 /nfs/dbraw/zinc/76/20/26/763762026.db2.gz GMXWSNPNJAJHFB-CQSZACIVSA-N 1 2 331.420 0.509 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)Oc3cccnc3)C2)CC1 ZINC001052079519 763793357 /nfs/dbraw/zinc/79/33/57/763793357.db2.gz BWIRISIIKQDVOX-IRXDYDNUSA-N 1 2 342.443 0.701 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@H]([NH+]3CCN([C@@H](C)C(N)=O)CC3)C2)C1 ZINC001052081406 763799509 /nfs/dbraw/zinc/79/95/09/763799509.db2.gz MFJMGEJTJQCNHJ-GJZGRUSLSA-N 1 2 334.464 0.435 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3Cc4ccncc4C3)CC2)C1 ZINC000941567529 763802166 /nfs/dbraw/zinc/80/21/66/763802166.db2.gz VXVBFONBFIRVLX-KRWDZBQOSA-N 1 2 338.455 0.648 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3Cc4ccncc4C3)C2)CC1 ZINC001052083111 763803972 /nfs/dbraw/zinc/80/39/72/763803972.db2.gz JMIVEIVYUCUCBI-HKUYNNGSSA-N 1 2 338.455 0.648 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3nccn4ccnc34)C2)CC1 ZINC001052085205 763810681 /nfs/dbraw/zinc/81/06/81/763810681.db2.gz ACBODQOZVVXALZ-HNNXBMFYSA-N 1 2 338.415 0.195 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(CCC)C3)C2)CC1 ZINC001052089636 763824254 /nfs/dbraw/zinc/82/42/54/763824254.db2.gz SDLHPTJLHIKUEU-DLBZAZTESA-N 1 2 346.475 0.097 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3nc4ncccn4n3)C2)CC1 ZINC001052099037 763855334 /nfs/dbraw/zinc/85/53/34/763855334.db2.gz GCIKXFIQYDEQQG-AWEZNQCLSA-N 1 2 341.419 0.142 20 30 ECEDLO CCn1ncc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)c1C ZINC001052101265 763863028 /nfs/dbraw/zinc/86/30/28/763863028.db2.gz MONSYPSNJFIUMA-OAHLLOKOSA-N 1 2 330.436 0.567 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)Cc3nonc3C)C2)CC1 ZINC001052103097 763867859 /nfs/dbraw/zinc/86/78/59/763867859.db2.gz LXOLMJRPZXEDFS-OAHLLOKOSA-N 1 2 333.436 0.715 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn(C(C)C)nn3)C2)CC1 ZINC001052103109 763868113 /nfs/dbraw/zinc/86/81/13/763868113.db2.gz MITDKWRRUNQPIK-OAHLLOKOSA-N 1 2 332.452 0.877 20 30 ECEDLO CCCc1cc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)no1 ZINC001052104209 763872055 /nfs/dbraw/zinc/87/20/55/763872055.db2.gz XTPFUOQCZYSMHE-AWEZNQCLSA-N 1 2 331.420 0.983 20 30 ECEDLO CCCc1cc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)no1 ZINC001052104211 763872459 /nfs/dbraw/zinc/87/24/59/763872459.db2.gz XTPFUOQCZYSMHE-CQSZACIVSA-N 1 2 331.420 0.983 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OCC(N)=O)c1 ZINC001017598942 768174055 /nfs/dbraw/zinc/17/40/55/768174055.db2.gz LXOPFMHRSAUZDP-GASCZTMLSA-N 1 2 327.384 0.473 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OCC(N)=O)c1 ZINC001017598942 768174061 /nfs/dbraw/zinc/17/40/61/768174061.db2.gz LXOPFMHRSAUZDP-GASCZTMLSA-N 1 2 327.384 0.473 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)CCN3CCCC3=O)C2)CC1 ZINC001052116974 763925028 /nfs/dbraw/zinc/92/50/28/763925028.db2.gz CIMHPKXEULFFLE-KRWDZBQOSA-N 1 2 346.475 0.241 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)CCN3CCCC3=O)C2)CC1 ZINC001052117475 763928453 /nfs/dbraw/zinc/92/84/53/763928453.db2.gz PPWDFTKDYAAMGS-KRWDZBQOSA-N 1 2 348.491 0.794 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCC(=O)N(C)C3)C2)CC1 ZINC001052121841 763943542 /nfs/dbraw/zinc/94/35/42/763943542.db2.gz IMZXINWROOZOLE-IRXDYDNUSA-N 1 2 346.475 0.097 20 30 ECEDLO Cc1cc(C)n([C@H](C)C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052122072 763944834 /nfs/dbraw/zinc/94/48/34/763944834.db2.gz MWGMCOAFNAUZGO-IAGOWNOFSA-N 1 2 344.463 0.803 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(C(N)=O)cn3)C2)CC1 ZINC001052123674 763950168 /nfs/dbraw/zinc/95/01/68/763950168.db2.gz MCEFOTLTSAYSNI-HNNXBMFYSA-N 1 2 343.431 0.199 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn(C)c3C3CC3)C2)CC1 ZINC001052123857 763951413 /nfs/dbraw/zinc/95/14/13/763951413.db2.gz RQMOFCWQURTRED-MRXNPFEDSA-N 1 2 341.459 0.763 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)[nH]c2ncn(C)c21 ZINC001017610183 768185483 /nfs/dbraw/zinc/18/54/83/768185483.db2.gz BROIWQQHXIQBCM-TXEJJXNPSA-N 1 2 325.372 0.596 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)[nH]c2ncn(C)c21 ZINC001017610183 768185485 /nfs/dbraw/zinc/18/54/85/768185485.db2.gz BROIWQQHXIQBCM-TXEJJXNPSA-N 1 2 325.372 0.596 20 30 ECEDLO C=CCOCC(=O)N1C[C@H](C)[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001052219885 764077397 /nfs/dbraw/zinc/07/73/97/764077397.db2.gz FILGYAMOTNBTML-JSGCOSHPSA-N 1 2 334.420 0.674 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2ccnn2C)C[C@@H]1O ZINC001047385802 764182617 /nfs/dbraw/zinc/18/26/17/764182617.db2.gz ZJELDOBBDMDFCN-QZWWFDLISA-N 1 2 348.447 0.405 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2ccnn2C)C[C@@H]1O ZINC001047385802 764182621 /nfs/dbraw/zinc/18/26/21/764182621.db2.gz ZJELDOBBDMDFCN-QZWWFDLISA-N 1 2 348.447 0.405 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001052289727 764200231 /nfs/dbraw/zinc/20/02/31/764200231.db2.gz DTWRWABDZZXDIL-AAEUAGOBSA-N 1 2 342.407 0.755 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@H+]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001052289727 764200235 /nfs/dbraw/zinc/20/02/35/764200235.db2.gz DTWRWABDZZXDIL-AAEUAGOBSA-N 1 2 342.407 0.755 20 30 ECEDLO C[C@H]1[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001015260685 764264857 /nfs/dbraw/zinc/26/48/57/764264857.db2.gz LNCVSGRQGMYHMA-SMDDNHRTSA-N 1 2 340.387 0.961 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001106066243 764273587 /nfs/dbraw/zinc/27/35/87/764273587.db2.gz AIHMDDIYGYESJN-RYUDHWBXSA-N 1 2 332.408 0.855 20 30 ECEDLO Cn1ncc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)n1 ZINC001032048466 764302533 /nfs/dbraw/zinc/30/25/33/764302533.db2.gz WSNRMFIRPYXNDR-UHFFFAOYSA-N 1 2 327.363 0.668 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCc3cnccn3)C2)nn1 ZINC001098763059 764311739 /nfs/dbraw/zinc/31/17/39/764311739.db2.gz SYRDEEITJFJFSI-INIZCTEOSA-N 1 2 339.403 0.197 20 30 ECEDLO C=C(Cl)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001047432747 764329293 /nfs/dbraw/zinc/32/92/93/764329293.db2.gz GAORFMVMHAQALQ-QEJZJMRPSA-N 1 2 338.839 0.702 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)C3CC3)C2)C1=O ZINC001047493807 764500522 /nfs/dbraw/zinc/50/05/22/764500522.db2.gz WUHAOXJGEBRXNN-JYJNAYRXSA-N 1 2 349.475 0.713 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)C3CC3)C2)C1=O ZINC001047493807 764500530 /nfs/dbraw/zinc/50/05/30/764500530.db2.gz WUHAOXJGEBRXNN-JYJNAYRXSA-N 1 2 349.475 0.713 20 30 ECEDLO C=CCC[N@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H]1C ZINC001088927362 764501149 /nfs/dbraw/zinc/50/11/49/764501149.db2.gz QGIDXPAFUMVFLM-YPMHNXCESA-N 1 2 330.392 0.226 20 30 ECEDLO C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H]1C ZINC001088927362 764501153 /nfs/dbraw/zinc/50/11/53/764501153.db2.gz QGIDXPAFUMVFLM-YPMHNXCESA-N 1 2 330.392 0.226 20 30 ECEDLO CN(C(=O)Cc1cnoc1)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047498866 764517711 /nfs/dbraw/zinc/51/77/11/764517711.db2.gz NCLWTXIHFIMVCO-ROUUACIJSA-N 1 2 339.395 0.772 20 30 ECEDLO CN(C(=O)Cc1cnoc1)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047498866 764517718 /nfs/dbraw/zinc/51/77/18/764517718.db2.gz NCLWTXIHFIMVCO-ROUUACIJSA-N 1 2 339.395 0.772 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(-n3cccn3)c2)C1 ZINC001047523063 764584672 /nfs/dbraw/zinc/58/46/72/764584672.db2.gz SZKKCCOSENGMFD-GJZGRUSLSA-N 1 2 325.372 0.018 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccnc(-n3cccn3)c2)C1 ZINC001047523063 764584675 /nfs/dbraw/zinc/58/46/75/764584675.db2.gz SZKKCCOSENGMFD-GJZGRUSLSA-N 1 2 325.372 0.018 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2cc(C)no2)C[C@@H]1O ZINC001047530011 764610964 /nfs/dbraw/zinc/61/09/64/764610964.db2.gz ZHMKDZDMYCDUID-UGUYLWEFSA-N 1 2 335.404 0.578 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2cc(C)no2)C[C@@H]1O ZINC001047530011 764610973 /nfs/dbraw/zinc/61/09/73/764610973.db2.gz ZHMKDZDMYCDUID-UGUYLWEFSA-N 1 2 335.404 0.578 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1)C2 ZINC001047531984 764613758 /nfs/dbraw/zinc/61/37/58/764613758.db2.gz VDGZJLABNYOFRF-JYJNAYRXSA-N 1 2 344.415 0.419 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2ocnc2C)C[C@@H]1O ZINC001047533403 764618367 /nfs/dbraw/zinc/61/83/67/764618367.db2.gz NASYCQCHKBIRAZ-QPSCCSFWSA-N 1 2 335.404 0.578 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2ocnc2C)C[C@@H]1O ZINC001047533403 764618372 /nfs/dbraw/zinc/61/83/72/764618372.db2.gz NASYCQCHKBIRAZ-QPSCCSFWSA-N 1 2 335.404 0.578 20 30 ECEDLO C=CCn1cc(C(=O)N(C)[C@H]2C[N@H+](Cc3cncs3)C[C@@H]2O)nn1 ZINC001047554199 764679302 /nfs/dbraw/zinc/67/93/02/764679302.db2.gz OHHJWSJVILHIRB-KBPBESRZSA-N 1 2 348.432 0.238 20 30 ECEDLO C=CCn1cc(C(=O)N(C)[C@H]2C[N@@H+](Cc3cncs3)C[C@@H]2O)nn1 ZINC001047554199 764679306 /nfs/dbraw/zinc/67/93/06/764679306.db2.gz OHHJWSJVILHIRB-KBPBESRZSA-N 1 2 348.432 0.238 20 30 ECEDLO CN(C(=O)c1cccnn1)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047572959 764735515 /nfs/dbraw/zinc/73/55/15/764735515.db2.gz HNPNGTOIIOARLG-GJZGRUSLSA-N 1 2 343.412 0.727 20 30 ECEDLO CN(C(=O)c1cccnn1)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047572959 764735526 /nfs/dbraw/zinc/73/55/26/764735526.db2.gz HNPNGTOIIOARLG-GJZGRUSLSA-N 1 2 343.412 0.727 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@H](C)[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001052549435 764737127 /nfs/dbraw/zinc/73/71/27/764737127.db2.gz UTECHPUUBWSBIF-LSDHHAIUSA-N 1 2 330.432 0.833 20 30 ECEDLO CN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@H]1CN(CC#N)C[C@@H]1O ZINC001047585451 764781600 /nfs/dbraw/zinc/78/16/00/764781600.db2.gz XJMQIFIEASCJHH-HOTGVXAUSA-N 1 2 325.372 0.513 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2C[NH+](CC(=O)N(C)C3CC3)C2)cn1 ZINC001032134768 764782113 /nfs/dbraw/zinc/78/21/13/764782113.db2.gz BBUCDFCNPSZBKR-UHFFFAOYSA-N 1 2 326.400 0.345 20 30 ECEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CCC(=O)N3)C2)ccc1F ZINC001032138195 764791186 /nfs/dbraw/zinc/79/11/86/764791186.db2.gz PYXNUEIJWKOFGD-HNNXBMFYSA-N 1 2 330.363 0.524 20 30 ECEDLO C#CCOCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001052600075 764831234 /nfs/dbraw/zinc/83/12/34/764831234.db2.gz SUNRKFRRHYWVIU-CABCVRRESA-N 1 2 346.431 0.593 20 30 ECEDLO C#CCOCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001052600316 764832526 /nfs/dbraw/zinc/83/25/26/764832526.db2.gz WBCAHNSQAUGMAX-KGLIPLIRSA-N 1 2 332.404 0.203 20 30 ECEDLO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3nnn(C)n3)C2)cc1C#N ZINC001015543836 764918869 /nfs/dbraw/zinc/91/88/69/764918869.db2.gz BSDZQFUWJRNDMU-CYBMUJFWSA-N 1 2 341.375 0.095 20 30 ECEDLO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3nnn(C)n3)C2)cc1C#N ZINC001015543836 764918880 /nfs/dbraw/zinc/91/88/80/764918880.db2.gz BSDZQFUWJRNDMU-CYBMUJFWSA-N 1 2 341.375 0.095 20 30 ECEDLO CN1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)C1=O ZINC001015563073 764967736 /nfs/dbraw/zinc/96/77/36/764967736.db2.gz JNFAHMIFPYVMAS-CABCVRRESA-N 1 2 344.390 0.866 20 30 ECEDLO CN1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)C1=O ZINC001015563073 764967740 /nfs/dbraw/zinc/96/77/40/764967740.db2.gz JNFAHMIFPYVMAS-CABCVRRESA-N 1 2 344.390 0.866 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn2c(n1)C[C@H](OC)CC2 ZINC001017653971 768256426 /nfs/dbraw/zinc/25/64/26/768256426.db2.gz XMQXDPIYNOZZLF-QLFBSQMISA-N 1 2 328.416 0.766 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn2c(n1)C[C@H](OC)CC2 ZINC001017653971 768256432 /nfs/dbraw/zinc/25/64/32/768256432.db2.gz XMQXDPIYNOZZLF-QLFBSQMISA-N 1 2 328.416 0.766 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2nccnc2F)C1 ZINC001052727176 765047085 /nfs/dbraw/zinc/04/70/85/765047085.db2.gz HLVHANNOVADYTD-IJLUTSLNSA-N 1 2 343.366 0.915 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cnon3)CC2)nn1 ZINC001052775303 765098684 /nfs/dbraw/zinc/09/86/84/765098684.db2.gz SJVCZUOFVLTNBL-GFCCVEGCSA-N 1 2 331.380 0.632 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cnon3)CC2)nn1 ZINC001052775303 765098691 /nfs/dbraw/zinc/09/86/91/765098691.db2.gz SJVCZUOFVLTNBL-GFCCVEGCSA-N 1 2 331.380 0.632 20 30 ECEDLO C#CCCCC(=O)N1CCC(=O)NCCN(c2cc[nH+]c(C)n2)CC1 ZINC001089101929 765162171 /nfs/dbraw/zinc/16/21/71/765162171.db2.gz XAUCXGDZXBGMFK-UHFFFAOYSA-N 1 2 343.431 0.743 20 30 ECEDLO C[C@@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CCNC1=O ZINC001015695477 765176491 /nfs/dbraw/zinc/17/64/91/765176491.db2.gz KSGRMOQHSDDVQH-RDTXWAMCSA-N 1 2 344.390 0.914 20 30 ECEDLO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CCNC1=O ZINC001015695477 765176494 /nfs/dbraw/zinc/17/64/94/765176494.db2.gz KSGRMOQHSDDVQH-RDTXWAMCSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001015713462 765217641 /nfs/dbraw/zinc/21/76/41/765217641.db2.gz OHMVPNBAUNIHTN-CQSZACIVSA-N 1 2 337.383 0.990 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001015713462 765217645 /nfs/dbraw/zinc/21/76/45/765217645.db2.gz OHMVPNBAUNIHTN-CQSZACIVSA-N 1 2 337.383 0.990 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3cnccn3)C2)nn1 ZINC001015810656 765369677 /nfs/dbraw/zinc/36/96/77/765369677.db2.gz OXRZSAKDNSHOFT-OLZOCXBDSA-N 1 2 327.392 0.819 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3cnccn3)C2)nn1 ZINC001015810656 765369688 /nfs/dbraw/zinc/36/96/88/765369688.db2.gz OXRZSAKDNSHOFT-OLZOCXBDSA-N 1 2 327.392 0.819 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccnc(OC)n3)C2)nn1 ZINC001015811450 765370711 /nfs/dbraw/zinc/37/07/11/765370711.db2.gz GRWNULFJVOILLP-CYBMUJFWSA-N 1 2 343.391 0.267 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccnc(OC)n3)C2)nn1 ZINC001015811450 765370721 /nfs/dbraw/zinc/37/07/21/765370721.db2.gz GRWNULFJVOILLP-CYBMUJFWSA-N 1 2 343.391 0.267 20 30 ECEDLO C=CCCOCC(=O)NC[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001053034519 765508355 /nfs/dbraw/zinc/50/83/55/765508355.db2.gz RKDFVJLFWKVUPV-GJZGRUSLSA-N 1 2 348.447 0.766 20 30 ECEDLO C#CCOCCC(=O)NC[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001053034650 765508905 /nfs/dbraw/zinc/50/89/05/765508905.db2.gz RYHDEEPANWDYNN-GJZGRUSLSA-N 1 2 346.431 0.213 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3nc(C)oc3C)C2)C1=O ZINC001015898190 765512706 /nfs/dbraw/zinc/51/27/06/765512706.db2.gz KXMUIPSWFLNMSH-ZIAGYGMSSA-N 1 2 332.404 0.882 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3nc(C)oc3C)C2)C1=O ZINC001015898190 765512713 /nfs/dbraw/zinc/51/27/13/765512713.db2.gz KXMUIPSWFLNMSH-ZIAGYGMSSA-N 1 2 332.404 0.882 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]2O)cc1 ZINC001077493899 765599629 /nfs/dbraw/zinc/59/96/29/765599629.db2.gz PDCWCRMZNAHBIK-IAGOWNOFSA-N 1 2 341.411 0.065 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]2O)cc1 ZINC001077493899 765599636 /nfs/dbraw/zinc/59/96/36/765599636.db2.gz PDCWCRMZNAHBIK-IAGOWNOFSA-N 1 2 341.411 0.065 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H](C)CCNc1ncnc2c1C[N@H+](C)CC2 ZINC001106442586 768309640 /nfs/dbraw/zinc/30/96/40/768309640.db2.gz IXPFWPCRMWDAEM-UONOGXRCSA-N 1 2 345.447 0.810 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H](C)CCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106442586 768309649 /nfs/dbraw/zinc/30/96/49/768309649.db2.gz IXPFWPCRMWDAEM-UONOGXRCSA-N 1 2 345.447 0.810 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H](C)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106443530 768311972 /nfs/dbraw/zinc/31/19/72/768311972.db2.gz ZLSPSOBXSFPYFH-RYUDHWBXSA-N 1 2 334.424 0.591 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCOC2(C[NH+](C[C@@H](O)Cc3ccccc3)C2)C1 ZINC001053192189 765740755 /nfs/dbraw/zinc/74/07/55/765740755.db2.gz XPPZVGNFDKZOAT-WBVHZDCISA-N 1 2 343.427 0.663 20 30 ECEDLO C#CCOCCC(=O)NC[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001053269029 765873903 /nfs/dbraw/zinc/87/39/03/765873903.db2.gz UTWYEABWDZMPCF-KGLIPLIRSA-N 1 2 332.404 0.203 20 30 ECEDLO C#CCCN1CC2(C1)CN(C(=O)[C@H]1CCc3c[nH+]cn3C1)CCO2 ZINC001053315396 765955205 /nfs/dbraw/zinc/95/52/05/765955205.db2.gz DCVADUWXOBXBQU-HNNXBMFYSA-N 1 2 328.416 0.382 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCN(C(C)=O)C1)CCO2 ZINC001053331947 765988453 /nfs/dbraw/zinc/98/84/53/765988453.db2.gz DVLFFIJONFVABP-INIZCTEOSA-N 1 2 335.448 0.734 20 30 ECEDLO C#CCCN1CC2(C1)CN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)CCO2 ZINC001053424431 766110162 /nfs/dbraw/zinc/11/01/62/766110162.db2.gz KYLLPOURMWEICW-CQSZACIVSA-N 1 2 328.416 0.766 20 30 ECEDLO Cn1c(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)c[nH]c1=O ZINC001077513734 766233605 /nfs/dbraw/zinc/23/36/05/766233605.db2.gz FNCIFOSIOLWRRW-DGCLKSJQSA-N 1 2 347.400 0.034 20 30 ECEDLO Cn1c(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)c[nH]c1=O ZINC001077513734 766233608 /nfs/dbraw/zinc/23/36/08/766233608.db2.gz FNCIFOSIOLWRRW-DGCLKSJQSA-N 1 2 347.400 0.034 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccnc3ccnn31)O2 ZINC001053608994 766425498 /nfs/dbraw/zinc/42/54/98/766425498.db2.gz RIEZIQHGLCXXMW-ZDUSSCGKSA-N 1 2 327.388 0.879 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncnn1C ZINC001045850259 766433026 /nfs/dbraw/zinc/43/30/26/766433026.db2.gz YMHBJKBTZCQFMO-QXSJWSMHSA-N 1 2 345.447 0.972 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncnn1C ZINC001045850259 766433035 /nfs/dbraw/zinc/43/30/35/766433035.db2.gz YMHBJKBTZCQFMO-QXSJWSMHSA-N 1 2 345.447 0.972 20 30 ECEDLO C=CCN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCn3c[nH+]cc3C1)O2 ZINC001053617818 766443030 /nfs/dbraw/zinc/44/30/30/766443030.db2.gz HMEMEAZNEUUXFQ-GDBMZVCRSA-N 1 2 330.432 0.981 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)O2 ZINC001053626143 766467799 /nfs/dbraw/zinc/46/77/99/766467799.db2.gz ODLHHORPZTZILK-KGLIPLIRSA-N 1 2 342.461 0.347 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(C(N)=O)cn1C)O2 ZINC001053626826 766469982 /nfs/dbraw/zinc/46/99/82/766469982.db2.gz FZXQMVKOGLXGPV-CQSZACIVSA-N 1 2 346.431 0.663 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cn(C)nc1OC)O2 ZINC001053635968 766488370 /nfs/dbraw/zinc/48/83/70/766488370.db2.gz RIKZZJNYXOBQLP-CYBMUJFWSA-N 1 2 334.420 0.968 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCNC(=O)CC1)O2 ZINC001053638584 766493835 /nfs/dbraw/zinc/49/38/35/766493835.db2.gz QGDLLHRBYUHQQC-CABCVRRESA-N 1 2 335.448 0.828 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC000992425654 766538365 /nfs/dbraw/zinc/53/83/65/766538365.db2.gz VKCPLENKDCZQSM-CVSAEHQPSA-N 1 2 332.404 0.485 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCS(=O)(=O)C1)O2 ZINC001053670034 766549183 /nfs/dbraw/zinc/54/91/83/766549183.db2.gz KBMNHGMZBXKAHX-KBPBESRZSA-N 1 2 342.461 0.347 20 30 ECEDLO C[C@H](CC(=O)NC[C@H](O)CNc1cncc(C#N)n1)n1cc[nH+]c1 ZINC001106131482 766579803 /nfs/dbraw/zinc/57/98/03/766579803.db2.gz CCHNSUDIYLGDFL-DGCLKSJQSA-N 1 2 329.364 0.085 20 30 ECEDLO C[C@@H](CC(=O)NC[C@H](O)CNc1ccncc1C#N)n1cc[nH+]c1 ZINC001106131697 766590299 /nfs/dbraw/zinc/59/02/99/766590299.db2.gz HXJAYPDZMUXGNK-GXTWGEPZSA-N 1 2 328.376 0.112 20 30 ECEDLO Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)C[C@H](C)n2cc[nH+]c2)n1 ZINC001106132079 766604031 /nfs/dbraw/zinc/60/40/31/766604031.db2.gz RUYABXVJXQFPFG-GXTWGEPZSA-N 1 2 343.391 0.394 20 30 ECEDLO Cn1c(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)c[nH]c1=O ZINC001083699597 766627473 /nfs/dbraw/zinc/62/74/73/766627473.db2.gz FNCIFOSIOLWRRW-YPMHNXCESA-N 1 2 347.400 0.034 20 30 ECEDLO Cn1c(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)c[nH]c1=O ZINC001083699597 766627483 /nfs/dbraw/zinc/62/74/83/766627483.db2.gz FNCIFOSIOLWRRW-YPMHNXCESA-N 1 2 347.400 0.034 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1c(OC)ncnc1OC)O2 ZINC001053704744 766630171 /nfs/dbraw/zinc/63/01/71/766630171.db2.gz NJHNVIFBJZFTCS-LBPRGKRZSA-N 1 2 348.403 0.643 20 30 ECEDLO Cc1cnc(C[N@H+]2CC[C@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)nc1 ZINC001046011332 766635378 /nfs/dbraw/zinc/63/53/78/766635378.db2.gz BWIFALACOLETMU-CVEARBPZSA-N 1 2 342.447 0.663 20 30 ECEDLO Cc1cnc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)nc1 ZINC001046011332 766635382 /nfs/dbraw/zinc/63/53/82/766635382.db2.gz BWIFALACOLETMU-CVEARBPZSA-N 1 2 342.447 0.663 20 30 ECEDLO Cc1nonc1C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001046013114 766641446 /nfs/dbraw/zinc/64/14/46/766641446.db2.gz SDZOSUVVGUQADY-TZMCWYRMSA-N 1 2 332.408 0.256 20 30 ECEDLO Cc1nonc1C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001046013114 766641448 /nfs/dbraw/zinc/64/14/48/766641448.db2.gz SDZOSUVVGUQADY-TZMCWYRMSA-N 1 2 332.408 0.256 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCN([C@H]2CC[N@H+](Cc3nccn3C)C2)CC1 ZINC001046013453 766642695 /nfs/dbraw/zinc/64/26/95/766642695.db2.gz YTNQQCZPQWPZHR-CABCVRRESA-N 1 2 330.436 0.298 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3nccn3C)C2)CC1 ZINC001046013453 766642698 /nfs/dbraw/zinc/64/26/98/766642698.db2.gz YTNQQCZPQWPZHR-CABCVRRESA-N 1 2 330.436 0.298 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@H]3CCCc4n[nH]cc43)CC2)C1 ZINC001046029743 766695808 /nfs/dbraw/zinc/69/58/08/766695808.db2.gz AJRQEJUYIYNGDX-CABCVRRESA-N 1 2 342.447 0.572 20 30 ECEDLO CC(C)Cc1nc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)c[nH]1 ZINC001046030266 766696574 /nfs/dbraw/zinc/69/65/74/766696574.db2.gz NBXNPZSYWHIUEN-HNNXBMFYSA-N 1 2 344.463 0.964 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](OC)C3CCCC3)C2)nn1 ZINC001098779475 766706147 /nfs/dbraw/zinc/70/61/47/766706147.db2.gz HMJVVKOXXZKDAF-DLBZAZTESA-N 1 2 345.447 0.980 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C3(C)CC(=C)C3)[C@@H](O)C2)C1=O ZINC001083763622 766722864 /nfs/dbraw/zinc/72/28/64/766722864.db2.gz TULHQCOBLLGUPW-ILXRZTDVSA-N 1 2 333.432 0.291 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C3(C)CC(=C)C3)[C@@H](O)C2)C1=O ZINC001083763622 766722871 /nfs/dbraw/zinc/72/28/71/766722871.db2.gz TULHQCOBLLGUPW-ILXRZTDVSA-N 1 2 333.432 0.291 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)CCc3cncnc3)CC2)C1 ZINC001046044291 766766463 /nfs/dbraw/zinc/76/64/63/766766463.db2.gz SGXYRBLROSTRNP-INIZCTEOSA-N 1 2 328.420 0.151 20 30 ECEDLO Cn1nc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)cc1Cl ZINC001046045364 766770552 /nfs/dbraw/zinc/77/05/52/766770552.db2.gz XBCAAKHUOMTFTP-LBPRGKRZSA-N 1 2 336.827 0.429 20 30 ECEDLO Cn1ccnc1CCC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046048212 766780427 /nfs/dbraw/zinc/78/04/27/766780427.db2.gz SJGMEFIZAOEXKV-OAHLLOKOSA-N 1 2 330.436 0.095 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)Cc3occc3C)[C@@H](O)C2)C1=O ZINC001083764285 766790974 /nfs/dbraw/zinc/79/09/74/766790974.db2.gz ZTIPOZZDAGZFFN-KFWWJZLASA-N 1 2 347.415 0.079 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)Cc3occc3C)[C@@H](O)C2)C1=O ZINC001083764285 766790985 /nfs/dbraw/zinc/79/09/85/766790985.db2.gz ZTIPOZZDAGZFFN-KFWWJZLASA-N 1 2 347.415 0.079 20 30 ECEDLO Cn1ncc(C[N@@H+]2CC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)n1 ZINC001042000216 782579720 /nfs/dbraw/zinc/57/97/20/782579720.db2.gz LHZYRNNXRHXITG-CJNGLKHVSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1ncc(C[N@H+]2CC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)n1 ZINC001042000216 782579730 /nfs/dbraw/zinc/57/97/30/782579730.db2.gz LHZYRNNXRHXITG-CJNGLKHVSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1cnnc1C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21 ZINC001042001474 782582297 /nfs/dbraw/zinc/58/22/97/782582297.db2.gz YVHOGXUQAPDGBZ-DZGCQCFKSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1cnnc1C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21 ZINC001042001474 782582302 /nfs/dbraw/zinc/58/23/02/782582302.db2.gz YVHOGXUQAPDGBZ-DZGCQCFKSA-N 1 2 339.403 0.751 20 30 ECEDLO CCn1cc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)c(C)n1 ZINC001046069425 766868184 /nfs/dbraw/zinc/86/81/84/766868184.db2.gz FXLKWYZARLOIDZ-OAHLLOKOSA-N 1 2 330.436 0.567 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cn(CCOC)nc1C)CO2 ZINC001053799947 766879922 /nfs/dbraw/zinc/87/99/22/766879922.db2.gz FWCATSOIBCZQJA-HNNXBMFYSA-N 1 2 346.431 0.434 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnn(CCOC)c1C)CO2 ZINC001053800688 766882094 /nfs/dbraw/zinc/88/20/94/766882094.db2.gz VNXSTKHQKHXIOZ-HNNXBMFYSA-N 1 2 348.447 0.987 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3ccc4nccn4c3)CC2)C1 ZINC001046076018 766901684 /nfs/dbraw/zinc/90/16/84/766901684.db2.gz AGSFGZMNYAYVTL-MRXNPFEDSA-N 1 2 338.415 0.690 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)COc3ccc(F)cc3)CC2)C1 ZINC001046081889 766920063 /nfs/dbraw/zinc/92/00/63/766920063.db2.gz LJVVVDSYPYHDQX-INIZCTEOSA-N 1 2 346.406 0.947 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC(=O)N(C(C)C)C1)CO2 ZINC001053818544 766925508 /nfs/dbraw/zinc/92/55/08/766925508.db2.gz MZGRDZKFOUKDCN-GJZGRUSLSA-N 1 2 333.432 0.226 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1ccc(C(F)F)n1)CO2 ZINC001053824665 766946460 /nfs/dbraw/zinc/94/64/60/766946460.db2.gz APDPWJDYFHKLCK-GFCCVEGCSA-N 1 2 338.358 0.804 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3ncncc3C1)CO2 ZINC001053826659 766952675 /nfs/dbraw/zinc/95/26/75/766952675.db2.gz GZWMOXLJJMHRKD-ZBFHGGJFSA-N 1 2 340.427 0.564 20 30 ECEDLO CCN(c1nc(C)cc(C#N)n1)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001089666725 766961692 /nfs/dbraw/zinc/96/16/92/766961692.db2.gz NUCBDZIOVBBPFG-CYBMUJFWSA-N 1 2 327.392 0.884 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn(C)nc1C(F)F)CO2 ZINC001053831585 766966806 /nfs/dbraw/zinc/96/68/06/766966806.db2.gz KFFUZDDZBCFFSP-LLVKDONJSA-N 1 2 338.358 0.954 20 30 ECEDLO CCN(c1ccc(C#N)nn1)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001089674107 766996258 /nfs/dbraw/zinc/99/62/58/766996258.db2.gz CTXQBXBCCSEIHT-LLVKDONJSA-N 1 2 327.392 0.954 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1nc(C)c(C)[nH]c1=O)CO2 ZINC001053843265 766996486 /nfs/dbraw/zinc/99/64/86/766996486.db2.gz IKUSCUJEKFYZDQ-ZDUSSCGKSA-N 1 2 332.404 0.536 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)Cc1ccc(C(N)=O)nc1)CO2 ZINC001053847874 767007795 /nfs/dbraw/zinc/00/77/95/767007795.db2.gz NSRAJXAOWLIOAC-AWEZNQCLSA-N 1 2 344.415 0.259 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC(N)=O)cn1 ZINC001089722779 767124377 /nfs/dbraw/zinc/12/43/77/767124377.db2.gz CYNGHANFFFXAGI-OAHLLOKOSA-N 1 2 328.416 0.769 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC(N)=O)cn1 ZINC001089722779 767124378 /nfs/dbraw/zinc/12/43/78/767124378.db2.gz CYNGHANFFFXAGI-OAHLLOKOSA-N 1 2 328.416 0.769 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001046287022 767128554 /nfs/dbraw/zinc/12/85/54/767128554.db2.gz HRNUVQAZNMOEJP-JOYOIKCWSA-N 1 2 332.198 0.584 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001046287022 767128556 /nfs/dbraw/zinc/12/85/56/767128556.db2.gz HRNUVQAZNMOEJP-JOYOIKCWSA-N 1 2 332.198 0.584 20 30 ECEDLO C[C@@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046289459 767129789 /nfs/dbraw/zinc/12/97/89/767129789.db2.gz VOHLPQDWNOVFNP-WMLDXEAASA-N 1 2 346.362 0.886 20 30 ECEDLO C[C@@]1(NC(=O)[C@@H]2COC(=O)N2)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001046289459 767129790 /nfs/dbraw/zinc/12/97/90/767129790.db2.gz VOHLPQDWNOVFNP-WMLDXEAASA-N 1 2 346.362 0.886 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)C(C)C)[C@H](OC)C1 ZINC001212327893 767226113 /nfs/dbraw/zinc/22/61/13/767226113.db2.gz WOHMKWRXIZONII-RRFJBIMHSA-N 1 2 337.464 0.622 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(C)C)[C@H](OC)C1 ZINC001212327893 767226114 /nfs/dbraw/zinc/22/61/14/767226114.db2.gz WOHMKWRXIZONII-RRFJBIMHSA-N 1 2 337.464 0.622 20 30 ECEDLO COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)c2cn[nH]n2)C1 ZINC001031804919 767245795 /nfs/dbraw/zinc/24/57/95/767245795.db2.gz BXRPDJZUVMGGGN-UHFFFAOYSA-N 1 2 326.360 0.547 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2c(F)cncc2F)[C@H](OC)C1 ZINC001212338862 767256868 /nfs/dbraw/zinc/25/68/68/767256868.db2.gz VCOJPDGZAFSJOP-ZIAGYGMSSA-N 1 2 339.342 0.439 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2c(F)cncc2F)[C@H](OC)C1 ZINC001212338862 767256870 /nfs/dbraw/zinc/25/68/70/767256870.db2.gz VCOJPDGZAFSJOP-ZIAGYGMSSA-N 1 2 339.342 0.439 20 30 ECEDLO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@]3(F)CCOC3)C2)c1 ZINC001077567881 767283353 /nfs/dbraw/zinc/28/33/53/767283353.db2.gz NJEHSJNHYVDTOO-INMHGKMJSA-N 1 2 333.363 0.348 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@]3(F)CCOC3)C2)c1 ZINC001077567881 767283356 /nfs/dbraw/zinc/28/33/56/767283356.db2.gz NJEHSJNHYVDTOO-INMHGKMJSA-N 1 2 333.363 0.348 20 30 ECEDLO Cn1nnc(C(=O)N[C@@]2(C)CC[N@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC001046542767 767293295 /nfs/dbraw/zinc/29/32/95/767293295.db2.gz AXIUMZQPVHODFZ-KRWDZBQOSA-N 1 2 342.378 0.595 20 30 ECEDLO Cn1nnc(C(=O)N[C@@]2(C)CC[N@@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC001046542767 767293296 /nfs/dbraw/zinc/29/32/96/767293296.db2.gz AXIUMZQPVHODFZ-KRWDZBQOSA-N 1 2 342.378 0.595 20 30 ECEDLO Cn1nnc(C(=O)N[C@]2(C)CC[N@H+](Cc3cc(C#N)ccc3F)C2)n1 ZINC001046542786 767293377 /nfs/dbraw/zinc/29/33/77/767293377.db2.gz AXJKSSBKQLZKCO-MRXNPFEDSA-N 1 2 343.366 0.615 20 30 ECEDLO Cn1nnc(C(=O)N[C@]2(C)CC[N@@H+](Cc3cc(C#N)ccc3F)C2)n1 ZINC001046542786 767293378 /nfs/dbraw/zinc/29/33/78/767293378.db2.gz AXJKSSBKQLZKCO-MRXNPFEDSA-N 1 2 343.366 0.615 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1Cc3ccncc3C1)CO2 ZINC001053924474 767374333 /nfs/dbraw/zinc/37/43/33/767374333.db2.gz UPKJTJPGQIYHHF-RDJZCZTQSA-N 1 2 325.412 0.779 20 30 ECEDLO Cc1nc[nH]c1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001078290796 782624773 /nfs/dbraw/zinc/62/47/73/782624773.db2.gz ULAXGIDVQISBON-CHWSQXEVSA-N 1 2 331.401 0.626 20 30 ECEDLO Cc1nc[nH]c1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001078290796 782624782 /nfs/dbraw/zinc/62/47/82/782624782.db2.gz ULAXGIDVQISBON-CHWSQXEVSA-N 1 2 331.401 0.626 20 30 ECEDLO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C ZINC001106155374 767394334 /nfs/dbraw/zinc/39/43/34/767394334.db2.gz VBNNMAUJPLYSOH-CKYFFXLPSA-N 1 2 339.333 0.873 20 30 ECEDLO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C ZINC001106155374 767394345 /nfs/dbraw/zinc/39/43/45/767394345.db2.gz VBNNMAUJPLYSOH-CKYFFXLPSA-N 1 2 339.333 0.873 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CCS(C)(=O)=O)C1 ZINC001046631596 767402956 /nfs/dbraw/zinc/40/29/56/767402956.db2.gz HOXXYHFVWHBDDO-VNHYZAJKSA-N 1 2 330.450 0.203 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001046631596 767402958 /nfs/dbraw/zinc/40/29/58/767402958.db2.gz HOXXYHFVWHBDDO-VNHYZAJKSA-N 1 2 330.450 0.203 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C(=O)N1CCC[C@H]1CC)CO2 ZINC001053974537 767502301 /nfs/dbraw/zinc/50/23/01/767502301.db2.gz POGFTAQUXQJPHJ-LSDHHAIUSA-N 1 2 333.432 0.370 20 30 ECEDLO N#Cc1cnc(NC[C@@H](O)CNC(=O)c2cc3c[nH+]ccc3[nH]2)cn1 ZINC001106174415 767503749 /nfs/dbraw/zinc/50/37/49/767503749.db2.gz FMSRKROGJIAFBS-GFCCVEGCSA-N 1 2 337.343 0.427 20 30 ECEDLO C=CCO[C@H](C)C(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060464547 767509307 /nfs/dbraw/zinc/50/93/07/767509307.db2.gz ZVAYWPFXSRPOKD-ZIAGYGMSSA-N 1 2 334.420 0.898 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccnc3nc(C)nn31)CO2 ZINC001053981811 767523775 /nfs/dbraw/zinc/52/37/75/767523775.db2.gz VPEIXPLNNJZDRX-CYBMUJFWSA-N 1 2 342.403 0.582 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2COC3(C[NH+](C[C@H](C)OC)C3)C2)cn1 ZINC001053985509 767534102 /nfs/dbraw/zinc/53/41/02/767534102.db2.gz SEVVQOHFUZDPND-BBRMVZONSA-N 1 2 329.400 0.671 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccnc1OCC#C)CO2 ZINC001053985788 767535368 /nfs/dbraw/zinc/53/53/68/767535368.db2.gz ZKTXDGBAPFOXBO-HNNXBMFYSA-N 1 2 339.395 0.690 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccc(C(=O)NC)n1)CO2 ZINC001053996227 767554707 /nfs/dbraw/zinc/55/47/07/767554707.db2.gz DFDNFUCHWFGYAR-CYBMUJFWSA-N 1 2 342.399 0.038 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C1CC1)N1CCOCC1)CO2 ZINC001054013166 767598049 /nfs/dbraw/zinc/59/80/49/767598049.db2.gz PLRYSGHJFGHHGO-IRXDYDNUSA-N 1 2 347.459 0.080 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001054048409 767646691 /nfs/dbraw/zinc/64/66/91/767646691.db2.gz AUGPYBVUXPQQDP-HOTGVXAUSA-N 1 2 326.400 0.186 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001054048409 767646694 /nfs/dbraw/zinc/64/66/94/767646694.db2.gz AUGPYBVUXPQQDP-HOTGVXAUSA-N 1 2 326.400 0.186 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001054053444 767652405 /nfs/dbraw/zinc/65/24/05/767652405.db2.gz UXHBIMQXMDWKDH-OKZBNKHCSA-N 1 2 339.439 0.887 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001054053444 767652409 /nfs/dbraw/zinc/65/24/09/767652409.db2.gz UXHBIMQXMDWKDH-OKZBNKHCSA-N 1 2 339.439 0.887 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C#CC1CC1)C2 ZINC001054130706 767725988 /nfs/dbraw/zinc/72/59/88/767725988.db2.gz WYJROUDZYAPUHI-KBXCAEBGSA-N 1 2 342.447 0.999 20 30 ECEDLO C[C@@H](c1nnnn1C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C#CC1CC1)C2 ZINC001054130706 767725991 /nfs/dbraw/zinc/72/59/91/767725991.db2.gz WYJROUDZYAPUHI-KBXCAEBGSA-N 1 2 342.447 0.999 20 30 ECEDLO Cc1nc(NC[C@@H](O)CNC(=O)CCc2[nH+]ccn2C)ccc1C#N ZINC001106184601 767758028 /nfs/dbraw/zinc/75/80/28/767758028.db2.gz LWNXEVNGXPWBGH-CQSZACIVSA-N 1 2 342.403 0.517 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](C[C@H]2CCc3ncnn32)C1 ZINC001031077115 767830995 /nfs/dbraw/zinc/83/09/95/767830995.db2.gz GRMPCUYFQZVJRE-VYDXJSESSA-N 1 2 345.447 0.937 20 30 ECEDLO C[C@H](CCNc1ccnc(C#N)n1)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001106583448 768463031 /nfs/dbraw/zinc/46/30/31/768463031.db2.gz ZHJPXGWNEQTEME-VXGBXAGGSA-N 1 2 339.403 0.920 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c2n(c(=O)n1C)CCCC2 ZINC001017949694 768538451 /nfs/dbraw/zinc/53/84/51/768538451.db2.gz NLHADISSYMBKSV-OKILXGFUSA-N 1 2 328.416 0.445 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c2n(c(=O)n1C)CCCC2 ZINC001017949694 768538454 /nfs/dbraw/zinc/53/84/54/768538454.db2.gz NLHADISSYMBKSV-OKILXGFUSA-N 1 2 328.416 0.445 20 30 ECEDLO N#Cc1cncc(N[C@@H]2CC[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)n1 ZINC001060535605 768572268 /nfs/dbraw/zinc/57/22/68/768572268.db2.gz QROHLVGECYFAAN-AEGPPILISA-N 1 2 337.387 0.894 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC001055338534 768795288 /nfs/dbraw/zinc/79/52/88/768795288.db2.gz VIRBCTRAFMABAA-KFWWJZLASA-N 1 2 344.415 0.216 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CNC(N)=O)cc1 ZINC001018254210 768977775 /nfs/dbraw/zinc/97/77/75/768977775.db2.gz SNLRRHJJBFJVQI-IYBDPMFKSA-N 1 2 326.400 0.777 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CNC(N)=O)cc1 ZINC001018254210 768977782 /nfs/dbraw/zinc/97/77/82/768977782.db2.gz SNLRRHJJBFJVQI-IYBDPMFKSA-N 1 2 326.400 0.777 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C(F)F)[C@H](OC)C1 ZINC001212210608 769023943 /nfs/dbraw/zinc/02/39/43/769023943.db2.gz CYNISVAAMNZDKR-NNYUYHANSA-N 1 2 331.363 0.005 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C(F)F)[C@H](OC)C1 ZINC001212210608 769023954 /nfs/dbraw/zinc/02/39/54/769023954.db2.gz CYNISVAAMNZDKR-NNYUYHANSA-N 1 2 331.363 0.005 20 30 ECEDLO C#Cc1ccc(C(=O)NC2C[NH+](CCCN3CCCC3=O)C2)cn1 ZINC001031275117 769035276 /nfs/dbraw/zinc/03/52/76/769035276.db2.gz FZUGFKQTXLKANE-UHFFFAOYSA-N 1 2 326.400 0.489 20 30 ECEDLO C=CC[N@H+]1CCC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@H]1C ZINC000993495572 769174485 /nfs/dbraw/zinc/17/44/85/769174485.db2.gz VQWDOOPDNIMYKI-OCCSQVGLSA-N 1 2 326.462 0.966 20 30 ECEDLO C=CC[N@@H+]1CCC[C@H](NC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@H]1C ZINC000993495572 769174491 /nfs/dbraw/zinc/17/44/91/769174491.db2.gz VQWDOOPDNIMYKI-OCCSQVGLSA-N 1 2 326.462 0.966 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@H]3CCCO3)C2)CC1 ZINC001018358697 769185677 /nfs/dbraw/zinc/18/56/77/769185677.db2.gz UWOFJARUCDXENC-JKSUJKDBSA-N 1 2 335.448 0.734 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)Cn3cccn3)C2)CC1 ZINC001018358721 769185851 /nfs/dbraw/zinc/18/58/51/769185851.db2.gz VAMMFDQQIVZLMD-MRXNPFEDSA-N 1 2 345.447 0.452 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)C[C@@H]3CCOC3)C2)CC1 ZINC001018364892 769208618 /nfs/dbraw/zinc/20/86/18/769208618.db2.gz XKKPKKFKQIBGAK-IRXDYDNUSA-N 1 2 349.475 0.982 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NC1CC[NH+](CCNC(=O)c2cn[nH]n2)CC1 ZINC001055597860 769220099 /nfs/dbraw/zinc/22/00/99/769220099.db2.gz FKTRCMXJPUKQCE-QGZVFWFLSA-N 1 2 348.451 0.717 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NC1CC[NH+](CCNC(=O)c2cnn[nH]2)CC1 ZINC001055597860 769220117 /nfs/dbraw/zinc/22/01/17/769220117.db2.gz FKTRCMXJPUKQCE-QGZVFWFLSA-N 1 2 348.451 0.717 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3n[nH]nc3C)C2)CC1 ZINC001018369964 769224139 /nfs/dbraw/zinc/22/41/39/769224139.db2.gz OBDZTRTYYGRLBG-CQSZACIVSA-N 1 2 346.435 0.296 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCC[NH+]1CCC(NC(=O)c2ncn[nH]2)CC1 ZINC001055607980 769246797 /nfs/dbraw/zinc/24/67/97/769246797.db2.gz JSLBPZNTHVBIEY-UHFFFAOYSA-N 1 2 348.451 0.717 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCC[NH+]1CCC(NC(=O)c2nc[nH]n2)CC1 ZINC001055607980 769246800 /nfs/dbraw/zinc/24/68/00/769246800.db2.gz JSLBPZNTHVBIEY-UHFFFAOYSA-N 1 2 348.451 0.717 20 30 ECEDLO C#CCCCCC(=O)NC1CC[NH+](CCNC(=O)c2ncn[nH]2)CC1 ZINC001055613149 769253972 /nfs/dbraw/zinc/25/39/72/769253972.db2.gz BIFIJRUQXRFKCZ-UHFFFAOYSA-N 1 2 346.435 0.309 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)c2ncn[nH]2)CC1 ZINC001055615177 769262955 /nfs/dbraw/zinc/26/29/55/769262955.db2.gz PLTLZHIPNLMOIN-CYBMUJFWSA-N 1 2 348.451 0.717 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC000993572378 769270388 /nfs/dbraw/zinc/27/03/88/769270388.db2.gz VGHBPHMQCXHIEQ-YGRLFVJLSA-N 1 2 330.392 0.277 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC000993572378 769270391 /nfs/dbraw/zinc/27/03/91/769270391.db2.gz VGHBPHMQCXHIEQ-YGRLFVJLSA-N 1 2 330.392 0.277 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NCC[NH+]1CCC(NC(=O)c2cnn[nH]2)CC1 ZINC001055635903 769318086 /nfs/dbraw/zinc/31/80/86/769318086.db2.gz MLESIDWHFKGLGU-KRWDZBQOSA-N 1 2 348.451 0.717 20 30 ECEDLO CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1c1c[nH+]cn1C ZINC000993604176 769349229 /nfs/dbraw/zinc/34/92/29/769349229.db2.gz YXLXLSSQQQGKBI-ZIAGYGMSSA-N 1 2 326.360 0.364 20 30 ECEDLO C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001018440442 769349994 /nfs/dbraw/zinc/34/99/94/769349994.db2.gz LZXPFQVPYONNKO-YPMHNXCESA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C(F)F)C1 ZINC000993631869 769443953 /nfs/dbraw/zinc/44/39/53/769443953.db2.gz OGDVSWWZMSJNQC-IVZWLZJFSA-N 1 2 325.319 0.255 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)c2ccco2)C1 ZINC000993633240 769445643 /nfs/dbraw/zinc/44/56/43/769445643.db2.gz UDAHDYLSIAYMGG-YNEHKIRRSA-N 1 2 341.371 0.897 20 30 ECEDLO N#Cc1nccc(NC2CCC(NC(=O)Cc3c[nH]c[nH+]3)CC2)n1 ZINC001060625122 769865956 /nfs/dbraw/zinc/86/59/56/769865956.db2.gz ZKOCBHKWESVRNH-UHFFFAOYSA-N 1 2 325.376 0.575 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H]1C ZINC000994168980 770240067 /nfs/dbraw/zinc/24/00/67/770240067.db2.gz QZZSUUBGKDQBKP-NWDGAFQWSA-N 1 2 342.827 0.650 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H]1C ZINC000994168980 770240075 /nfs/dbraw/zinc/24/00/75/770240075.db2.gz QZZSUUBGKDQBKP-NWDGAFQWSA-N 1 2 342.827 0.650 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(CC)CCNc1[nH+]cnc2c1cnn2C ZINC001106852578 770341437 /nfs/dbraw/zinc/34/14/37/770341437.db2.gz JCFPJOYDURQTTD-GFCCVEGCSA-N 1 2 330.392 0.662 20 30 ECEDLO C=C(C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001055971651 770403426 /nfs/dbraw/zinc/40/34/26/770403426.db2.gz IYFWEHGJTBSKGI-KRWDZBQOSA-N 1 2 334.420 0.709 20 30 ECEDLO Cc1nocc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083743823 770415334 /nfs/dbraw/zinc/41/53/34/770415334.db2.gz JIWPWBZINHJLJN-CVEARBPZSA-N 1 2 326.356 0.830 20 30 ECEDLO Cc1nocc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083743823 770415341 /nfs/dbraw/zinc/41/53/41/770415341.db2.gz JIWPWBZINHJLJN-CVEARBPZSA-N 1 2 326.356 0.830 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC[C@@](CO)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001056019214 770569260 /nfs/dbraw/zinc/56/92/60/770569260.db2.gz FMGFDFPPLFFFHY-GOSISDBHSA-N 1 2 348.447 0.645 20 30 ECEDLO C#CCCCC(=O)N1CCC[C@](CO)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001056020527 770577056 /nfs/dbraw/zinc/57/70/56/770577056.db2.gz YEKYEFAFBJGRRX-SFHVURJKSA-N 1 2 346.431 0.236 20 30 ECEDLO C=C[C@H](CC)CC(=O)N[C@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001056064839 770723695 /nfs/dbraw/zinc/72/36/95/770723695.db2.gz GNNUXSSJTZSWQU-CRAIPNDOSA-N 1 2 348.447 0.955 20 30 ECEDLO CN(C)c1noc(C[NH2+]C[C@H]2CN(C(=O)C#CC3CC3)CCCO2)n1 ZINC001078397642 782867901 /nfs/dbraw/zinc/86/79/01/782867901.db2.gz BOWGGXIESMPVKE-AWEZNQCLSA-N 1 2 347.419 0.256 20 30 ECEDLO C[C@H](C#N)C(=O)N[C@@]1(CO)CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001056096179 770813506 /nfs/dbraw/zinc/81/35/06/770813506.db2.gz GIEGTHKSSDWJEJ-PBHICJAKSA-N 1 2 347.419 0.293 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2nc(CC(=O)NC)no2)C1 ZINC001019237924 771042338 /nfs/dbraw/zinc/04/23/38/771042338.db2.gz DJQIMWIDAFLOIX-NSHDSACASA-N 1 2 335.408 0.261 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1[C@H]2CN(c3ncc(C#N)cc3F)C[C@H]21 ZINC001056271652 771066897 /nfs/dbraw/zinc/06/68/97/771066897.db2.gz PPQHNUVKCMVKSB-ATCWAGBWSA-N 1 2 340.362 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C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)nc1 ZINC000994601160 771276462 /nfs/dbraw/zinc/27/64/62/771276462.db2.gz KAZAIXBFQISZFE-CQSZACIVSA-N 1 2 349.394 0.463 20 30 ECEDLO COC(=O)[C@H]1C[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031579216 771328806 /nfs/dbraw/zinc/32/88/06/771328806.db2.gz PAFOTVBMMLJWOI-HOTGVXAUSA-N 1 2 327.384 0.915 20 30 ECEDLO N#Cc1ccc(N2CCCO[C@@H](CNC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001089543107 771433418 /nfs/dbraw/zinc/43/34/18/771433418.db2.gz FKEUJPMHKKTABR-INIZCTEOSA-N 1 2 340.387 0.561 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCNC(=O)C3)C2)cc1F ZINC001031613383 771446491 /nfs/dbraw/zinc/44/64/91/771446491.db2.gz MLTLVEBYHBINND-CQSZACIVSA-N 1 2 344.390 0.772 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001056683036 771510715 /nfs/dbraw/zinc/51/07/15/771510715.db2.gz YRLJNXFIQJPRBK-OWCLPIDISA-N 1 2 346.431 0.924 20 30 ECEDLO CC(=O)N1CC(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001031637366 771561425 /nfs/dbraw/zinc/56/14/25/771561425.db2.gz YLFOCJBPZZKKHY-UHFFFAOYSA-N 1 2 344.390 0.724 20 30 ECEDLO N#Cc1cncc(N[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)n1 ZINC001056727240 771562066 /nfs/dbraw/zinc/56/20/66/771562066.db2.gz QSUIBEOSZOSUGS-CHWSQXEVSA-N 1 2 337.387 0.820 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@H](n2cc(C[NH2+]Cc3cncs3)nn2)C1 ZINC001089579049 771562236 /nfs/dbraw/zinc/56/22/36/771562236.db2.gz CGPAVAJBFSIUJR-YPMHNXCESA-N 1 2 345.432 0.957 20 30 ECEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1COC(=O)N1 ZINC001031647669 771591633 /nfs/dbraw/zinc/59/16/33/771591633.db2.gz PKOCEXYNZSFHBJ-HNNXBMFYSA-N 1 2 347.802 0.848 20 30 ECEDLO C[C@@H](CC(=O)N1CC[C@@H](Nc2ccnc(C#N)n2)C1)n1cc[nH+]c1 ZINC001056793104 771648924 /nfs/dbraw/zinc/64/89/24/771648924.db2.gz UGTWPOLXIAUBPJ-QWHCGFSZSA-N 1 2 325.376 0.631 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](N(C)c2nccnc2C#N)C1 ZINC001057047060 771992405 /nfs/dbraw/zinc/99/24/05/771992405.db2.gz NRRFBYSJWQQRDW-OCCSQVGLSA-N 1 2 339.403 0.987 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](N(C)c2nccnc2C#N)C1 ZINC001057047060 771992408 /nfs/dbraw/zinc/99/24/08/771992408.db2.gz NRRFBYSJWQQRDW-OCCSQVGLSA-N 1 2 339.403 0.987 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001019907429 772007087 /nfs/dbraw/zinc/00/70/87/772007087.db2.gz CRECSVDOJOBAJX-CABCVRRESA-N 1 2 346.431 0.993 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001019907431 772007246 /nfs/dbraw/zinc/00/72/46/772007246.db2.gz CRECSVDOJOBAJX-HUUCEWRRSA-N 1 2 346.431 0.993 20 30 ECEDLO N#Cc1nccnc1N1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001057134149 772140402 /nfs/dbraw/zinc/14/04/02/772140402.db2.gz HYVOXBQOWKGULK-UHFFFAOYSA-N 1 2 325.376 0.743 20 30 ECEDLO CCc1nc(C#N)cc(N2CCCN(C(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC001057168138 772208934 /nfs/dbraw/zinc/20/89/34/772208934.db2.gz QUBSWHXNKDXZGD-UHFFFAOYSA-N 1 2 339.403 0.915 20 30 ECEDLO Cc1cc(C#N)nc(N2CCCN(C(=O)Cc3c[nH+]c[nH]3)CC2)n1 ZINC001057240291 772329795 /nfs/dbraw/zinc/32/97/95/772329795.db2.gz ZPRINNRMOKGYBU-UHFFFAOYSA-N 1 2 325.376 0.661 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)CCc1[nH]cc[nH+]1 ZINC001057459896 772646217 /nfs/dbraw/zinc/64/62/17/772646217.db2.gz PEEDGQKALIZZQX-KBPBESRZSA-N 1 2 336.436 0.738 20 30 ECEDLO N#Cc1nccc(NCC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)n1 ZINC001057544380 772740708 /nfs/dbraw/zinc/74/07/08/772740708.db2.gz BIEGTBBHKKFQBL-UHFFFAOYSA-N 1 2 325.376 0.386 20 30 ECEDLO CC(C)C[C@H](C(=O)N(CCO)CCNC(=O)[C@H](C)C#N)n1cc[nH+]c1 ZINC001057887909 773135223 /nfs/dbraw/zinc/13/52/23/773135223.db2.gz ROFYVAXDZBIPSH-HUUCEWRRSA-N 1 2 349.435 0.567 20 30 ECEDLO C#CCC1(C(=O)NCCN(CCO)C(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC001057901592 773160154 /nfs/dbraw/zinc/16/01/54/773160154.db2.gz YWVFNSWIBJXFRM-UHFFFAOYSA-N 1 2 346.431 0.473 20 30 ECEDLO C#CCC1(C(=O)NCCN(CCO)C(=O)CCc2c[nH+]c[nH]2)CCC1 ZINC001057901592 773160158 /nfs/dbraw/zinc/16/01/58/773160158.db2.gz YWVFNSWIBJXFRM-UHFFFAOYSA-N 1 2 346.431 0.473 20 30 ECEDLO C=C1CCC(C(=O)NCCN(CCO)C(=O)CCn2cc[nH+]c2)CC1 ZINC001058200544 773757619 /nfs/dbraw/zinc/75/76/19/773757619.db2.gz JRFSVAGLMXOPHF-UHFFFAOYSA-N 1 2 348.447 0.957 20 30 ECEDLO C#CCCCCCC(=O)N(CCO)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001058307410 773944759 /nfs/dbraw/zinc/94/47/59/773944759.db2.gz JYMXEBJHNOPQDR-UHFFFAOYSA-N 1 2 334.420 0.473 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N(CCO)CCNC(=O)C#CC(C)(C)C ZINC001058353121 774022029 /nfs/dbraw/zinc/02/20/29/774022029.db2.gz XFTUDZULEXEVNF-UHFFFAOYSA-N 1 2 348.447 0.339 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N(CCO)CCNC(=O)C#CC(C)(C)C ZINC001058365495 774037401 /nfs/dbraw/zinc/03/74/01/774037401.db2.gz WYGBCHJDFARHPX-UHFFFAOYSA-N 1 2 348.447 0.339 20 30 ECEDLO C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CN1c1nccnc1C#N ZINC001039818293 783146349 /nfs/dbraw/zinc/14/63/49/783146349.db2.gz NBYRHLQTHSBFHA-NEPJUHHUSA-N 1 2 325.376 0.788 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N(CCO)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001058463615 774232800 /nfs/dbraw/zinc/23/28/00/774232800.db2.gz CUZUSBRBINZZSA-CQSZACIVSA-N 1 2 336.436 0.882 20 30 ECEDLO N#Cc1cncc(N2CC[C@@H](NC(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)n1 ZINC001058480900 774270768 /nfs/dbraw/zinc/27/07/68/774270768.db2.gz DSYDOLDFLFIOEZ-CHWSQXEVSA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1cncc(N2CC[C@H](NC(=O)[C@H]3CCc4[nH+]ccn4C3)C2)n1 ZINC001058481029 774271482 /nfs/dbraw/zinc/27/14/82/774271482.db2.gz HIVFLIJCNJRVBB-STQMWFEESA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1nccc(N2CC[C@@H](NC(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)n1 ZINC001058481052 774271552 /nfs/dbraw/zinc/27/15/52/774271552.db2.gz HZKCPJGUPUNHME-CHWSQXEVSA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1nccnc1N1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001058481180 774272182 /nfs/dbraw/zinc/27/21/82/774272182.db2.gz LLUSPFKJAZWYNL-QWHCGFSZSA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1cnc(N2CC[C@H](NC(=O)[C@H]3CCc4c[nH+]cn4C3)C2)cn1 ZINC001058481317 774272361 /nfs/dbraw/zinc/27/23/61/774272361.db2.gz OJTKNSADWRCLNZ-STQMWFEESA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1nccnc1N1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001058481585 774272971 /nfs/dbraw/zinc/27/29/71/774272971.db2.gz VPAKTDQIQIYRAQ-OLZOCXBDSA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1nccnc1N1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001058481587 774273135 /nfs/dbraw/zinc/27/31/35/774273135.db2.gz VPAKTDQIQIYRAQ-STQMWFEESA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1cnc(N2CC[C@@H](NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)cn1 ZINC001058542024 774395724 /nfs/dbraw/zinc/39/57/24/774395724.db2.gz YXNRHDPYLRVXTJ-DGCLKSJQSA-N 1 2 337.387 0.886 20 30 ECEDLO C=CCCC1(C(=O)NCCN(CCO)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001058547437 774410295 /nfs/dbraw/zinc/41/02/95/774410295.db2.gz HNIGXIIEZVNNFC-UHFFFAOYSA-N 1 2 334.420 0.636 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001044980355 774794968 /nfs/dbraw/zinc/79/49/68/774794968.db2.gz LZCBZYQJLCITMY-STQMWFEESA-N 1 2 348.447 0.835 20 30 ECEDLO CC#CCCCC(=O)NCC1(O)CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001044994605 774811122 /nfs/dbraw/zinc/81/11/22/774811122.db2.gz WUHFCAKKHLZPMV-UHFFFAOYSA-N 1 2 332.404 0.225 20 30 ECEDLO C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1CNc1ccnc(C#N)n1 ZINC001039876231 783216970 /nfs/dbraw/zinc/21/69/70/783216970.db2.gz WUYWAMUYBHJXFQ-STQMWFEESA-N 1 2 339.403 0.632 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CN(c3ccc(C#N)nn3)C[C@H]21 ZINC001040673818 783230588 /nfs/dbraw/zinc/23/05/88/783230588.db2.gz LPTXAWHUBGXSGK-SWLSCSKDSA-N 1 2 337.387 0.362 20 30 ECEDLO N#Cc1c(F)cccc1N1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001044024529 775539968 /nfs/dbraw/zinc/53/99/68/775539968.db2.gz ODLAIPNWSIKYSH-HIFRSBDPSA-N 1 2 329.335 0.260 20 30 ECEDLO C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001045458323 775640011 /nfs/dbraw/zinc/64/00/11/775640011.db2.gz ASHKEXXYMRZSOD-CQSZACIVSA-N 1 2 346.431 0.491 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC001045560749 775803454 /nfs/dbraw/zinc/80/34/54/775803454.db2.gz VCYIVDJESYXOEK-OLZOCXBDSA-N 1 2 349.435 0.170 20 30 ECEDLO C=C(C)C(C)(C)C(=O)NCC1(O)CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001044404989 776279923 /nfs/dbraw/zinc/27/99/23/776279923.db2.gz OSEYNEGRRGCSNZ-UHFFFAOYSA-N 1 2 348.447 0.979 20 30 ECEDLO C=CCOCC(=O)N1CC(O)(CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001044585200 776481938 /nfs/dbraw/zinc/48/19/38/776481938.db2.gz NQQSEQWMCHWPHR-UHFFFAOYSA-N 1 2 347.415 0.513 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001044672429 776615752 /nfs/dbraw/zinc/61/57/52/776615752.db2.gz CMUKDBNAGMDUIL-UONOGXRCSA-N 1 2 348.447 0.500 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001070055711 790466041 /nfs/dbraw/zinc/46/60/41/790466041.db2.gz LTABJOWEDJJTAD-KGLIPLIRSA-N 1 2 327.392 0.297 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001070055711 790466046 /nfs/dbraw/zinc/46/60/46/790466046.db2.gz LTABJOWEDJJTAD-KGLIPLIRSA-N 1 2 327.392 0.297 20 30 ECEDLO C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001079773581 776842621 /nfs/dbraw/zinc/84/26/21/776842621.db2.gz QTPHJVMFQIYMRW-AWEZNQCLSA-N 1 2 346.431 0.688 20 30 ECEDLO C#CCOCCC(=O)N(CC)C1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001079773581 776842627 /nfs/dbraw/zinc/84/26/27/776842627.db2.gz QTPHJVMFQIYMRW-AWEZNQCLSA-N 1 2 346.431 0.688 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001079793063 776879158 /nfs/dbraw/zinc/87/91/58/776879158.db2.gz QDXVDCDYHDVCCU-GJZGRUSLSA-N 1 2 346.431 0.932 20 30 ECEDLO C=CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001079982366 777190229 /nfs/dbraw/zinc/19/02/29/777190229.db2.gz DBPKATYYQDQHRW-CYBMUJFWSA-N 1 2 334.420 0.993 20 30 ECEDLO C=CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001079982366 777190232 /nfs/dbraw/zinc/19/02/32/777190232.db2.gz DBPKATYYQDQHRW-CYBMUJFWSA-N 1 2 334.420 0.993 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001079984925 777193786 /nfs/dbraw/zinc/19/37/86/777193786.db2.gz QPIOYGZTJMDKAD-ADEWGFFLSA-N 1 2 339.827 0.735 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001079984925 777193792 /nfs/dbraw/zinc/19/37/92/777193792.db2.gz QPIOYGZTJMDKAD-ADEWGFFLSA-N 1 2 339.827 0.735 20 30 ECEDLO C=C(Cl)CN1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001070075718 790520363 /nfs/dbraw/zinc/52/03/63/790520363.db2.gz BFYVJONBIAHCPL-KGLIPLIRSA-N 1 2 349.826 0.348 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001080018612 777242583 /nfs/dbraw/zinc/24/25/83/777242583.db2.gz DVHQBJIKXGQDPW-IAQYHMDHSA-N 1 2 340.387 0.935 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001080018612 777242593 /nfs/dbraw/zinc/24/25/93/777242593.db2.gz DVHQBJIKXGQDPW-IAQYHMDHSA-N 1 2 340.387 0.935 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001080018612 777242603 /nfs/dbraw/zinc/24/26/03/777242603.db2.gz DVHQBJIKXGQDPW-IAQYHMDHSA-N 1 2 340.387 0.935 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001080018612 777242611 /nfs/dbraw/zinc/24/26/11/777242611.db2.gz DVHQBJIKXGQDPW-IAQYHMDHSA-N 1 2 340.387 0.935 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)CCCn2cc[nH+]c2)C1 ZINC001080026783 777256709 /nfs/dbraw/zinc/25/67/09/777256709.db2.gz GQMSMUJIFRSOLO-OAHLLOKOSA-N 1 2 346.431 0.761 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c[nH]c3cccnc23)[C@@H](n2ccnn2)C1 ZINC001070076141 790522822 /nfs/dbraw/zinc/52/28/22/790522822.db2.gz JFHNELLQRXNMCH-CABCVRRESA-N 1 2 335.371 0.443 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c3cccnc23)[C@@H](n2ccnn2)C1 ZINC001070076141 790522827 /nfs/dbraw/zinc/52/28/27/790522827.db2.gz JFHNELLQRXNMCH-CABCVRRESA-N 1 2 335.371 0.443 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)Cn3cncc3C)C2)C1=O ZINC001080137519 777441201 /nfs/dbraw/zinc/44/12/01/777441201.db2.gz GALLGNWBWNTMRM-FVQBIDKESA-N 1 2 345.447 0.415 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cn3cncc3C)C2)C1=O ZINC001080137519 777441203 /nfs/dbraw/zinc/44/12/03/777441203.db2.gz GALLGNWBWNTMRM-FVQBIDKESA-N 1 2 345.447 0.415 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001080182216 777511539 /nfs/dbraw/zinc/51/15/39/777511539.db2.gz ZQUMLXZZHXPMBM-JIMOISOXSA-N 1 2 337.811 0.555 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001080182216 777511547 /nfs/dbraw/zinc/51/15/47/777511547.db2.gz ZQUMLXZZHXPMBM-JIMOISOXSA-N 1 2 337.811 0.555 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1CC(N(CC)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001080199858 777544673 /nfs/dbraw/zinc/54/46/73/777544673.db2.gz RQYAGKLDARMFKB-CYBMUJFWSA-N 1 2 334.420 0.911 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080281247 777642857 /nfs/dbraw/zinc/64/28/57/777642857.db2.gz WRBITQGQTKVTFE-QMTHXVAHSA-N 1 2 343.366 0.471 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080281247 777642859 /nfs/dbraw/zinc/64/28/59/777642859.db2.gz WRBITQGQTKVTFE-QMTHXVAHSA-N 1 2 343.366 0.471 20 30 ECEDLO O=C(C#CC1CC1)NC[C@H]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)O1 ZINC001068573206 790608296 /nfs/dbraw/zinc/60/82/96/790608296.db2.gz OXMYQXKNVKCQQO-CQSZACIVSA-N 1 2 342.399 0.242 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)n2nc(C)cc2C)[C@@H](n2ccnn2)C1 ZINC001070106128 790622177 /nfs/dbraw/zinc/62/21/77/790622177.db2.gz YXNWIPQMSVFTQA-XHSDSOJGSA-N 1 2 341.419 0.327 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)n2nc(C)cc2C)[C@@H](n2ccnn2)C1 ZINC001070106128 790622181 /nfs/dbraw/zinc/62/21/81/790622181.db2.gz YXNWIPQMSVFTQA-XHSDSOJGSA-N 1 2 341.419 0.327 20 30 ECEDLO C=CCCC1(C(=O)N2CC(O)(CNC(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001043525960 778468750 /nfs/dbraw/zinc/46/87/50/778468750.db2.gz SKBUWDCEGLKLJF-UHFFFAOYSA-N 1 2 346.431 0.778 20 30 ECEDLO C=CCCC1(C(=O)N2CC(O)(CNC(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001043525960 778468757 /nfs/dbraw/zinc/46/87/57/778468757.db2.gz SKBUWDCEGLKLJF-UHFFFAOYSA-N 1 2 346.431 0.778 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C[C@H](C)CC)C1 ZINC001043646397 778659215 /nfs/dbraw/zinc/65/92/15/778659215.db2.gz CVTRVIBUPDDCLR-CABCVRRESA-N 1 2 335.448 0.210 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C[C@H](C)CC)C1 ZINC001043646397 778659217 /nfs/dbraw/zinc/65/92/17/778659217.db2.gz CVTRVIBUPDDCLR-CABCVRRESA-N 1 2 335.448 0.210 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C(C)(C)C(=C)C)C1 ZINC001043648527 778663629 /nfs/dbraw/zinc/66/36/29/778663629.db2.gz CGBWFEUKSSYFJX-HNNXBMFYSA-N 1 2 347.459 0.376 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C(C)(C)C(=C)C)C1 ZINC001043648527 778663631 /nfs/dbraw/zinc/66/36/31/778663631.db2.gz CGBWFEUKSSYFJX-HNNXBMFYSA-N 1 2 347.459 0.376 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC(O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001043700243 778742979 /nfs/dbraw/zinc/74/29/79/778742979.db2.gz USZQUISHABLYLI-UHFFFAOYSA-N 1 2 348.447 0.955 20 30 ECEDLO N#Cc1ccc(N2C[C@H]3OCCN(C(=O)Cc4[nH]cc[nH+]4)[C@H]3C2)cn1 ZINC001043744425 778802747 /nfs/dbraw/zinc/80/27/47/778802747.db2.gz ZAPVJAZDWWAVNF-LSDHHAIUSA-N 1 2 338.371 0.335 20 30 ECEDLO Cc1conc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1n1ccnn1 ZINC001070157464 790777601 /nfs/dbraw/zinc/77/76/01/790777601.db2.gz YSVSQVCPVRKZQV-GDLCADMTSA-N 1 2 329.364 0.276 20 30 ECEDLO C=CC[NH2+][C@@H]1C[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C12CCC2 ZINC001078749145 780429389 /nfs/dbraw/zinc/42/93/89/780429389.db2.gz JNLKKZVZYJEHBK-OLZOCXBDSA-N 1 2 342.403 0.274 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001078995269 780687005 /nfs/dbraw/zinc/68/70/05/780687005.db2.gz MVOZJAPMXMTMET-MRXNPFEDSA-N 1 2 346.431 0.763 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccnn2C)C1 ZINC001079131242 780791423 /nfs/dbraw/zinc/79/14/23/780791423.db2.gz IPLZVAQNFRKYAW-QZTJIDSGSA-N 1 2 338.411 0.741 20 30 ECEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ccnn2C)C1 ZINC001079131242 780791430 /nfs/dbraw/zinc/79/14/30/780791430.db2.gz IPLZVAQNFRKYAW-QZTJIDSGSA-N 1 2 338.411 0.741 20 30 ECEDLO C#CC[NH+]1CCC2(CN(C(=O)C3=NC(=O)N(C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079258753 780931343 /nfs/dbraw/zinc/93/13/43/780931343.db2.gz MGVGKLJTHJHQMG-DZGCQCFKSA-N 1 2 344.415 0.312 20 30 ECEDLO C=CCOCC(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001079493006 781179794 /nfs/dbraw/zinc/17/97/94/781179794.db2.gz VFILXPSUIXZYEY-HUUCEWRRSA-N 1 2 346.431 0.786 20 30 ECEDLO C=CCC(C)(C)C(=O)NCC1(O)CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001043061493 781259278 /nfs/dbraw/zinc/25/92/78/781259278.db2.gz GQJFEQDCTYJKBU-UHFFFAOYSA-N 1 2 348.447 0.645 20 30 ECEDLO C#CCCCCC(=O)N1CC(O)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001043076877 781284268 /nfs/dbraw/zinc/28/42/68/781284268.db2.gz IWPBJLLZDDRTNV-HNNXBMFYSA-N 1 2 346.431 0.717 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cc3occc3C)C2)C1=O ZINC001077645854 781417372 /nfs/dbraw/zinc/41/73/72/781417372.db2.gz ZTIPOZZDAGZFFN-RBSFLKMASA-N 1 2 347.415 0.079 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)Cc3occc3C)C2)C1=O ZINC001077645854 781417385 /nfs/dbraw/zinc/41/73/85/781417385.db2.gz ZTIPOZZDAGZFFN-RBSFLKMASA-N 1 2 347.415 0.079 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2c(C)noc2CC)C[C@H]1O ZINC001077699013 781538758 /nfs/dbraw/zinc/53/87/58/781538758.db2.gz LUNDCCCKSQWDII-MIGQKNRLSA-N 1 2 349.431 0.798 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2c(C)noc2CC)C[C@H]1O ZINC001077699013 781538764 /nfs/dbraw/zinc/53/87/64/781538764.db2.gz LUNDCCCKSQWDII-MIGQKNRLSA-N 1 2 349.431 0.798 20 30 ECEDLO N#Cc1cncc(NC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CCCO2)n1 ZINC001041509781 781666145 /nfs/dbraw/zinc/66/61/45/781666145.db2.gz DPWNYDNHWSVLTN-CYBMUJFWSA-N 1 2 341.375 0.343 20 30 ECEDLO N#Cc1ccc(NC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CCCO2)nn1 ZINC001041536240 781722227 /nfs/dbraw/zinc/72/22/27/781722227.db2.gz XZKYLUGWBZFMCM-CQSZACIVSA-N 1 2 341.375 0.343 20 30 ECEDLO C#CCCCCCC(=O)N1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040693113 783277757 /nfs/dbraw/zinc/27/77/57/783277757.db2.gz BKUHROYPUQVSFZ-GOSISDBHSA-N 1 2 346.431 0.616 20 30 ECEDLO C[C@H]1[C@@H](Nc2ccc(C#N)nc2)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001040071265 783483972 /nfs/dbraw/zinc/48/39/72/783483972.db2.gz VQMKUKJISLLERT-RCBQFDQVSA-N 1 2 329.404 0.685 20 30 ECEDLO C[C@H]1[C@@H](Nc2ccc(C#N)nc2)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001040071265 783483975 /nfs/dbraw/zinc/48/39/75/783483975.db2.gz VQMKUKJISLLERT-RCBQFDQVSA-N 1 2 329.404 0.685 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NC[C@]1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001040813389 783489456 /nfs/dbraw/zinc/48/94/56/783489456.db2.gz QDFYKDFBLOHPCB-DLBZAZTESA-N 1 2 334.420 0.634 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)NC[C@@]1(O)CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001040813329 783489633 /nfs/dbraw/zinc/48/96/33/783489633.db2.gz PEJSCNNKZLUFIU-ROUUACIJSA-N 1 2 348.447 0.645 20 30 ECEDLO C[C@@H](C#N)C(=O)NCC1(NC(=O)CCn2cc[nH+]c2)CCOCC1 ZINC001070177385 783603658 /nfs/dbraw/zinc/60/36/58/783603658.db2.gz SWZLRFHRHWZSDN-ZDUSSCGKSA-N 1 2 333.392 0.214 20 30 ECEDLO C=CC[NH2+][C@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@@H]1CC ZINC001037940945 783718544 /nfs/dbraw/zinc/71/85/44/783718544.db2.gz NRFYMRYOWRMECE-JSGCOSHPSA-N 1 2 344.419 0.474 20 30 ECEDLO CC(C)N1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)C1=O ZINC001038171663 783947423 /nfs/dbraw/zinc/94/74/23/783947423.db2.gz BEHMOXHDVPOZNY-ZFWWWQNUSA-N 1 2 329.404 0.700 20 30 ECEDLO CC(C)N1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)c2ccc(C#N)[nH]2)C1=O ZINC001038171663 783947431 /nfs/dbraw/zinc/94/74/31/783947431.db2.gz BEHMOXHDVPOZNY-ZFWWWQNUSA-N 1 2 329.404 0.700 20 30 ECEDLO CC(C)N1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)C1=O ZINC001038171656 783947705 /nfs/dbraw/zinc/94/77/05/783947705.db2.gz BEHMOXHDVPOZNY-HIFRSBDPSA-N 1 2 329.404 0.700 20 30 ECEDLO CC(C)N1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)c2ccc(C#N)[nH]2)C1=O ZINC001038171656 783947709 /nfs/dbraw/zinc/94/77/09/783947709.db2.gz BEHMOXHDVPOZNY-HIFRSBDPSA-N 1 2 329.404 0.700 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)C1=O ZINC001038175323 783950881 /nfs/dbraw/zinc/95/08/81/783950881.db2.gz OGOQQWDLZDJFBA-LSDHHAIUSA-N 1 2 327.388 0.477 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)c2c[nH]c(C#N)c2)C1=O ZINC001038175323 783950886 /nfs/dbraw/zinc/95/08/86/783950886.db2.gz OGOQQWDLZDJFBA-LSDHHAIUSA-N 1 2 327.388 0.477 20 30 ECEDLO CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@@H+]2CC#Cc2ccccc2)C1 ZINC001038188114 783970514 /nfs/dbraw/zinc/97/05/14/783970514.db2.gz CBDMGHKJCQCNRO-SFHVURJKSA-N 1 2 325.412 0.707 20 30 ECEDLO CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@H+]2CC#Cc2ccccc2)C1 ZINC001038188114 783970528 /nfs/dbraw/zinc/97/05/28/783970528.db2.gz CBDMGHKJCQCNRO-SFHVURJKSA-N 1 2 325.412 0.707 20 30 ECEDLO C=CC[NH+]1CC2(C1)CN(C(=O)c1c[nH]c(C)n1)C[C@H]2c1nnc(C)[nH]1 ZINC001070442408 784085211 /nfs/dbraw/zinc/08/52/11/784085211.db2.gz HGMXZLHVEGYFFW-ZDUSSCGKSA-N 1 2 341.419 0.872 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cn[nH]c2)C1 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/nfs/dbraw/zinc/10/54/15/784105415.db2.gz BYFYWICYYBQODY-RHSMWYFYSA-N 1 2 343.431 0.401 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ncccn2)C1 ZINC001070921199 784117018 /nfs/dbraw/zinc/11/70/18/784117018.db2.gz QYHSSVSUHLIWNJ-MCIONIFRSA-N 1 2 343.387 0.382 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ncccn2)C1 ZINC001070921199 784117021 /nfs/dbraw/zinc/11/70/21/784117021.db2.gz QYHSSVSUHLIWNJ-MCIONIFRSA-N 1 2 343.387 0.382 20 30 ECEDLO N#CCSCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001070923627 784122179 /nfs/dbraw/zinc/12/21/79/784122179.db2.gz AWDWESMXUGRATM-JHJVBQTASA-N 1 2 347.444 0.877 20 30 ECEDLO N#CCSCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001070923627 784122183 /nfs/dbraw/zinc/12/21/83/784122183.db2.gz AWDWESMXUGRATM-JHJVBQTASA-N 1 2 347.444 0.877 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccccc2O)CC1 ZINC001070941792 784176312 /nfs/dbraw/zinc/17/63/12/784176312.db2.gz DQSICXZOEVQCJO-UHFFFAOYSA-N 1 2 329.400 0.680 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccccc2O)CC1 ZINC001070941792 784176315 /nfs/dbraw/zinc/17/63/15/784176315.db2.gz DQSICXZOEVQCJO-UHFFFAOYSA-N 1 2 329.400 0.680 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@H]2C(=O)OC)CC1 ZINC001070946051 784190037 /nfs/dbraw/zinc/19/00/37/784190037.db2.gz PDKURSLMONHCJT-KGLIPLIRSA-N 1 2 337.420 0.022 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@H]2C(=O)OC)CC1 ZINC001070946051 784190040 /nfs/dbraw/zinc/19/00/40/784190040.db2.gz PDKURSLMONHCJT-KGLIPLIRSA-N 1 2 337.420 0.022 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2c(C)nnn2CC)CC1 ZINC001070970746 784270571 /nfs/dbraw/zinc/27/05/71/784270571.db2.gz VGXLAKPNOFCJFS-UHFFFAOYSA-N 1 2 348.451 0.447 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2c(C)nnn2CC)CC1 ZINC001070970746 784270577 /nfs/dbraw/zinc/27/05/77/784270577.db2.gz VGXLAKPNOFCJFS-UHFFFAOYSA-N 1 2 348.451 0.447 20 30 ECEDLO C=CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001070586743 784370752 /nfs/dbraw/zinc/37/07/52/784370752.db2.gz PWGCOGSKXGZKLM-KGLIPLIRSA-N 1 2 348.451 0.465 20 30 ECEDLO C=CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC001070586743 784370764 /nfs/dbraw/zinc/37/07/64/784370764.db2.gz PWGCOGSKXGZKLM-KGLIPLIRSA-N 1 2 348.451 0.465 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cnn(C(C)C)c2)CC1 ZINC001071015455 784421612 /nfs/dbraw/zinc/42/16/12/784421612.db2.gz FVXHQKZFHTXNCQ-UHFFFAOYSA-N 1 2 345.447 0.751 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cnn(C(C)C)c2)CC1 ZINC001071015455 784421615 /nfs/dbraw/zinc/42/16/15/784421615.db2.gz FVXHQKZFHTXNCQ-UHFFFAOYSA-N 1 2 345.447 0.751 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C[C@](C)(O)C2CC2)C[C@H]1NCC#N ZINC001070640916 784479720 /nfs/dbraw/zinc/47/97/20/784479720.db2.gz FKTAKOQWDYPMLL-CPUCHLNUSA-N 1 2 331.420 0.379 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001070667350 784523965 /nfs/dbraw/zinc/52/39/65/784523965.db2.gz COOHZQLBWVESGA-RDTXWAMCSA-N 1 2 348.447 0.787 20 30 ECEDLO COc1ccc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)o1 ZINC001070705377 784572258 /nfs/dbraw/zinc/57/22/58/784572258.db2.gz SKJQRUAHBCEMJR-VXGBXAGGSA-N 1 2 329.360 0.743 20 30 ECEDLO C#CCCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001070728688 784608985 /nfs/dbraw/zinc/60/89/85/784608985.db2.gz CKFVYBXOAOBUTI-MELADBBJSA-N 1 2 348.426 0.623 20 30 ECEDLO C#CCCN1C[C@@H](F)C[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001070728688 784608989 /nfs/dbraw/zinc/60/89/89/784608989.db2.gz CKFVYBXOAOBUTI-MELADBBJSA-N 1 2 348.426 0.623 20 30 ECEDLO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1nc[nH]n1)C[C@H](C)O2 ZINC001071151411 784612086 /nfs/dbraw/zinc/61/20/86/784612086.db2.gz HSYKVWOZMCNTGP-YOEHRIQHSA-N 1 2 331.420 0.452 20 30 ECEDLO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCc1nc[nH]n1)C[C@H](C)O2 ZINC001071151411 784612092 /nfs/dbraw/zinc/61/20/92/784612092.db2.gz HSYKVWOZMCNTGP-YOEHRIQHSA-N 1 2 331.420 0.452 20 30 ECEDLO C=CCn1cccc1C(=O)N1C[C@H](C)O[C@@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001071176434 784666089 /nfs/dbraw/zinc/66/60/89/784666089.db2.gz VONKYISTHOILBX-KBXCAEBGSA-N 1 2 346.431 0.465 20 30 ECEDLO C=CCn1cccc1C(=O)N1C[C@H](C)O[C@@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001071176434 784666095 /nfs/dbraw/zinc/66/60/95/784666095.db2.gz VONKYISTHOILBX-KBXCAEBGSA-N 1 2 346.431 0.465 20 30 ECEDLO CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1=NC(=O)N(C)C1)C[C@H](C)O2 ZINC001071209314 784741310 /nfs/dbraw/zinc/74/13/10/784741310.db2.gz IAFYDVLVUJSTPU-GUYCJALGSA-N 1 2 332.404 0.454 20 30 ECEDLO CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)C1=NC(=O)N(C)C1)C[C@H](C)O2 ZINC001071209314 784741313 /nfs/dbraw/zinc/74/13/13/784741313.db2.gz IAFYDVLVUJSTPU-GUYCJALGSA-N 1 2 332.404 0.454 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2CCOCC2)C1 ZINC001070900406 784807796 /nfs/dbraw/zinc/80/77/96/784807796.db2.gz LNUNECZHUGSFMD-OAGGEKHMSA-N 1 2 349.431 0.705 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2CCOCC2)C1 ZINC001070900406 784807802 /nfs/dbraw/zinc/80/78/02/784807802.db2.gz LNUNECZHUGSFMD-OAGGEKHMSA-N 1 2 349.431 0.705 20 30 ECEDLO CC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)C(=O)C1 ZINC001071260366 784871779 /nfs/dbraw/zinc/87/17/79/784871779.db2.gz PRLGOIQVQIBNMK-CQSZACIVSA-N 1 2 329.404 0.655 20 30 ECEDLO CC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)C(=O)C1 ZINC001071260366 784871782 /nfs/dbraw/zinc/87/17/82/784871782.db2.gz PRLGOIQVQIBNMK-CQSZACIVSA-N 1 2 329.404 0.655 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3n[nH]cc3C)C2)C(=O)C1 ZINC001071264332 784884314 /nfs/dbraw/zinc/88/43/14/784884314.db2.gz TZUHQPSSIWGMLL-OAHLLOKOSA-N 1 2 343.431 0.490 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3n[nH]cc3C)C2)C(=O)C1 ZINC001071264332 784884317 /nfs/dbraw/zinc/88/43/17/784884317.db2.gz TZUHQPSSIWGMLL-OAHLLOKOSA-N 1 2 343.431 0.490 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3ccsn3)C2)C(=O)C1 ZINC001071267639 784894217 /nfs/dbraw/zinc/89/42/17/784894217.db2.gz NKBMHLLHEDJPHG-CQSZACIVSA-N 1 2 346.456 0.915 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3ccsn3)C2)C(=O)C1 ZINC001071267639 784894222 /nfs/dbraw/zinc/89/42/22/784894222.db2.gz NKBMHLLHEDJPHG-CQSZACIVSA-N 1 2 346.456 0.915 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3nc(C)c[nH]3)C2)C(=O)C1 ZINC001071275448 784915121 /nfs/dbraw/zinc/91/51/21/784915121.db2.gz GRVQJDJGVKXVBN-HNNXBMFYSA-N 1 2 343.431 0.490 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3nc(C)c[nH]3)C2)C(=O)C1 ZINC001071275448 784915127 /nfs/dbraw/zinc/91/51/27/784915127.db2.gz GRVQJDJGVKXVBN-HNNXBMFYSA-N 1 2 343.431 0.490 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(=O)NC3CC3)C2)nn1 ZINC001071879270 785262514 /nfs/dbraw/zinc/26/25/14/785262514.db2.gz AXSJVKRIBACONW-TZMCWYRMSA-N 1 2 346.435 0.325 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(=O)NC3CC3)C2)nn1 ZINC001071879270 785262519 /nfs/dbraw/zinc/26/25/19/785262519.db2.gz AXSJVKRIBACONW-TZMCWYRMSA-N 1 2 346.435 0.325 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(=O)NC)C2)nn1 ZINC001071886434 785272020 /nfs/dbraw/zinc/27/20/20/785272020.db2.gz DDLGJJKDHILXCV-STQMWFEESA-N 1 2 334.424 0.183 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(=O)NC)C2)nn1 ZINC001071886434 785272026 /nfs/dbraw/zinc/27/20/26/785272026.db2.gz DDLGJJKDHILXCV-STQMWFEESA-N 1 2 334.424 0.183 20 30 ECEDLO CC(C)C#CC(=O)N1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001072038127 785560660 /nfs/dbraw/zinc/56/06/60/785560660.db2.gz ATUOVCKZQFDBBH-GDBMZVCRSA-N 1 2 330.432 0.975 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CC[C@H]1C ZINC001072069740 785615932 /nfs/dbraw/zinc/61/59/32/785615932.db2.gz LEAANJCVBGHGGX-MNOVXSKESA-N 1 2 340.811 0.821 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CC[C@H]1C ZINC001072069740 785615938 /nfs/dbraw/zinc/61/59/38/785615938.db2.gz LEAANJCVBGHGGX-MNOVXSKESA-N 1 2 340.811 0.821 20 30 ECEDLO C=CCCOCC(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001072335083 786040604 /nfs/dbraw/zinc/04/06/04/786040604.db2.gz AOJMYXAVSKYSBC-UKRRQHHQSA-N 1 2 334.420 0.518 20 30 ECEDLO C=CCCOCC(=O)N[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001072453276 786207572 /nfs/dbraw/zinc/20/75/72/786207572.db2.gz INBCHZHOTCPCNY-HUUCEWRRSA-N 1 2 334.420 0.829 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1nnc3n1CCCC3)C2 ZINC001072551869 786355829 /nfs/dbraw/zinc/35/58/29/786355829.db2.gz KCCSPHNIAHBBPT-ZDUSSCGKSA-N 1 2 328.420 0.808 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](Cc1nnc3n1CCCC3)C2 ZINC001072551869 786355834 /nfs/dbraw/zinc/35/58/34/786355834.db2.gz KCCSPHNIAHBBPT-ZDUSSCGKSA-N 1 2 328.420 0.808 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CCCO[C@@H](CNC(C)=O)C2)c1 ZINC001073503302 786435091 /nfs/dbraw/zinc/43/50/91/786435091.db2.gz CBGFNQAAMWMCOQ-KRWDZBQOSA-N 1 2 329.400 0.833 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@H+]2CCCO[C@@H](CNC(C)=O)C2)c1 ZINC001073503302 786435096 /nfs/dbraw/zinc/43/50/96/786435096.db2.gz CBGFNQAAMWMCOQ-KRWDZBQOSA-N 1 2 329.400 0.833 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccnc4ccnn43)C[C@H]21 ZINC001074263907 786540101 /nfs/dbraw/zinc/54/01/01/786540101.db2.gz PGIWBLXOCJXLOI-CVEARBPZSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccnc4ccnn43)C[C@H]21 ZINC001074263907 786540106 /nfs/dbraw/zinc/54/01/06/786540106.db2.gz PGIWBLXOCJXLOI-CVEARBPZSA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnc4n3CCOC4)C[C@@H]21 ZINC001074268015 786548992 /nfs/dbraw/zinc/54/89/92/786548992.db2.gz BHJUVMHUJYZMJM-HOTGVXAUSA-N 1 2 344.415 0.352 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnc4n3CCOC4)C[C@@H]21 ZINC001074268015 786548998 /nfs/dbraw/zinc/54/89/98/786548998.db2.gz BHJUVMHUJYZMJM-HOTGVXAUSA-N 1 2 344.415 0.352 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cnn(CCF)c3)C[C@H]21 ZINC001074282791 786584357 /nfs/dbraw/zinc/58/43/57/786584357.db2.gz STEAYDRSIMFPOM-HZPDHXFCSA-N 1 2 334.395 0.791 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cnn(CCF)c3)C[C@H]21 ZINC001074282791 786584362 /nfs/dbraw/zinc/58/43/62/786584362.db2.gz STEAYDRSIMFPOM-HZPDHXFCSA-N 1 2 334.395 0.791 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnn(CCF)c3)C[C@@H]21 ZINC001074282790 786584802 /nfs/dbraw/zinc/58/48/02/786584802.db2.gz STEAYDRSIMFPOM-HOTGVXAUSA-N 1 2 334.395 0.791 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnn(CCF)c3)C[C@@H]21 ZINC001074282790 786584809 /nfs/dbraw/zinc/58/48/09/786584809.db2.gz STEAYDRSIMFPOM-HOTGVXAUSA-N 1 2 334.395 0.791 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ncnc4[nH]ccc43)C[C@H]21 ZINC001074286783 786597961 /nfs/dbraw/zinc/59/79/61/786597961.db2.gz RHOMCPWTPKIIDB-CABCVRRESA-N 1 2 339.399 0.848 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ncnc4[nH]ccc43)C[C@H]21 ZINC001074286783 786597964 /nfs/dbraw/zinc/59/79/64/786597964.db2.gz RHOMCPWTPKIIDB-CABCVRRESA-N 1 2 339.399 0.848 20 30 ECEDLO CC#CCN1CCO[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@@H]21 ZINC001074301765 786630147 /nfs/dbraw/zinc/63/01/47/786630147.db2.gz GPIVMLWNVVNMPB-JKSUJKDBSA-N 1 2 330.432 0.678 20 30 ECEDLO C=CCCC(=O)N1CC(N2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001073579991 786672444 /nfs/dbraw/zinc/67/24/44/786672444.db2.gz IURFJTBBYWOHLU-UHFFFAOYSA-N 1 2 331.420 0.204 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc(=O)n3C)C[C@@H]21 ZINC001074336230 786700218 /nfs/dbraw/zinc/70/02/18/786700218.db2.gz LURFSTQKARYOPD-HOTGVXAUSA-N 1 2 329.400 0.324 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc(=O)n3C)C[C@@H]21 ZINC001074336230 786700224 /nfs/dbraw/zinc/70/02/24/786700224.db2.gz LURFSTQKARYOPD-HOTGVXAUSA-N 1 2 329.400 0.324 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3ccc(C)cc3=O)C[C@@H]21 ZINC001074351904 786734717 /nfs/dbraw/zinc/73/47/17/786734717.db2.gz VVEGVSMLVSQXEX-IRXDYDNUSA-N 1 2 343.427 0.482 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3ccc(C)cc3=O)C[C@@H]21 ZINC001074351904 786734723 /nfs/dbraw/zinc/73/47/23/786734723.db2.gz VVEGVSMLVSQXEX-IRXDYDNUSA-N 1 2 343.427 0.482 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)COc3cccnc3)C[C@@H]21 ZINC001074362536 786758141 /nfs/dbraw/zinc/75/81/41/786758141.db2.gz GTGLBASRLNEDTG-IRXDYDNUSA-N 1 2 329.400 0.785 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)COc3cccnc3)C[C@@H]21 ZINC001074362536 786758148 /nfs/dbraw/zinc/75/81/48/786758148.db2.gz GTGLBASRLNEDTG-IRXDYDNUSA-N 1 2 329.400 0.785 20 30 ECEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@@H]2CN(CC#N)CCCO2)[nH]n1 ZINC001073605813 786760720 /nfs/dbraw/zinc/76/07/20/786760720.db2.gz VUVJNGJIKHGCGB-CZUORRHYSA-N 1 2 346.435 0.521 20 30 ECEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@@H]2CN(CC#N)CCCO2)[nH]n1 ZINC001073605813 786760727 /nfs/dbraw/zinc/76/07/27/786760727.db2.gz VUVJNGJIKHGCGB-CZUORRHYSA-N 1 2 346.435 0.521 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@H]21 ZINC001074364533 786765279 /nfs/dbraw/zinc/76/52/79/786765279.db2.gz ZBNPSOCIWYAJFE-ZIAGYGMSSA-N 1 2 342.403 0.616 20 30 ECEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@H]21 ZINC001074364533 786765283 /nfs/dbraw/zinc/76/52/83/786765283.db2.gz ZBNPSOCIWYAJFE-ZIAGYGMSSA-N 1 2 342.403 0.616 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(CC)nn3C)C[C@@H]21 ZINC001074366959 786772097 /nfs/dbraw/zinc/77/20/97/786772097.db2.gz ZNEIZGCDGILFJM-IRXDYDNUSA-N 1 2 330.432 0.921 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(CC)nn3C)C[C@@H]21 ZINC001074366959 786772101 /nfs/dbraw/zinc/77/21/01/786772101.db2.gz ZNEIZGCDGILFJM-IRXDYDNUSA-N 1 2 330.432 0.921 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCc3cnccn3)C[C@H]21 ZINC001074373971 786789506 /nfs/dbraw/zinc/78/95/06/786789506.db2.gz BBSNWVKQNFZKTF-SJORKVTESA-N 1 2 328.416 0.734 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCc3cnccn3)C[C@H]21 ZINC001074373971 786789514 /nfs/dbraw/zinc/78/95/14/786789514.db2.gz BBSNWVKQNFZKTF-SJORKVTESA-N 1 2 328.416 0.734 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3c4c(nn3C)CCC4)C[C@@H]21 ZINC001074381877 786810802 /nfs/dbraw/zinc/81/08/02/786810802.db2.gz ARDTZISXSXIOAV-IRXDYDNUSA-N 1 2 342.443 0.847 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3c4c(nn3C)CCC4)C[C@@H]21 ZINC001074381877 786810815 /nfs/dbraw/zinc/81/08/15/786810815.db2.gz ARDTZISXSXIOAV-IRXDYDNUSA-N 1 2 342.443 0.847 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@@H]21 ZINC001074404808 786875364 /nfs/dbraw/zinc/87/53/64/786875364.db2.gz IILVKRBKZZWOOZ-LSDHHAIUSA-N 1 2 330.388 0.052 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@@H]21 ZINC001074404808 786875373 /nfs/dbraw/zinc/87/53/73/786875373.db2.gz IILVKRBKZZWOOZ-LSDHHAIUSA-N 1 2 330.388 0.052 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc(C(N)=O)n3)C[C@H]21 ZINC001074417039 786917534 /nfs/dbraw/zinc/91/75/34/786917534.db2.gz HOFGABDZDUGBOE-CVEARBPZSA-N 1 2 342.399 0.119 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc(C(N)=O)n3)C[C@H]21 ZINC001074417039 786917538 /nfs/dbraw/zinc/91/75/38/786917538.db2.gz HOFGABDZDUGBOE-CVEARBPZSA-N 1 2 342.399 0.119 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2COCCN2CC)C1 ZINC001073670329 786923169 /nfs/dbraw/zinc/92/31/69/786923169.db2.gz GQTPCHGHRYINAE-HUUCEWRRSA-N 1 2 345.871 0.667 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2COCCN2CC)C1 ZINC001073670329 786923173 /nfs/dbraw/zinc/92/31/73/786923173.db2.gz GQTPCHGHRYINAE-HUUCEWRRSA-N 1 2 345.871 0.667 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001073703806 787009372 /nfs/dbraw/zinc/00/93/72/787009372.db2.gz YMQFESPJQIULRB-LBPRGKRZSA-N 1 2 340.811 0.354 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001073703806 787009382 /nfs/dbraw/zinc/00/93/82/787009382.db2.gz YMQFESPJQIULRB-LBPRGKRZSA-N 1 2 340.811 0.354 20 30 ECEDLO C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001073796517 787219042 /nfs/dbraw/zinc/21/90/42/787219042.db2.gz NWZNGKFQDJOSGR-ZIAGYGMSSA-N 1 2 330.450 0.204 20 30 ECEDLO C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001073796517 787219046 /nfs/dbraw/zinc/21/90/46/787219046.db2.gz NWZNGKFQDJOSGR-ZIAGYGMSSA-N 1 2 330.450 0.204 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001073819593 787261865 /nfs/dbraw/zinc/26/18/65/787261865.db2.gz GVQPDARWDPNRDD-OCCSQVGLSA-N 1 2 334.420 0.816 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001073819515 787262024 /nfs/dbraw/zinc/26/20/24/787262024.db2.gz FOMWDTSPIPPBHP-CABCVRRESA-N 1 2 348.447 0.909 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001073820799 787265382 /nfs/dbraw/zinc/26/53/82/787265382.db2.gz WTKAPYONFBGNPK-GDBMZVCRSA-N 1 2 348.447 0.909 20 30 ECEDLO C#CCCCC(=O)N1CCC(O)(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001074563714 787267472 /nfs/dbraw/zinc/26/74/72/787267472.db2.gz ANPJNWXHUDHSEO-UHFFFAOYSA-N 1 2 346.431 0.534 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(O)(CNC(=O)[C@@H](C)C#N)CC1 ZINC001074600055 787369191 /nfs/dbraw/zinc/36/91/91/787369191.db2.gz WPPCMFCHUDDYON-OLZOCXBDSA-N 1 2 347.419 0.218 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(O)(CNC(=O)[C@@H](C)C#N)CC1 ZINC001074600055 787369198 /nfs/dbraw/zinc/36/91/98/787369198.db2.gz WPPCMFCHUDDYON-OLZOCXBDSA-N 1 2 347.419 0.218 20 30 ECEDLO O=C(C#CC1CC1)NCC1(O)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001074621697 787425028 /nfs/dbraw/zinc/42/50/28/787425028.db2.gz MFPJXHCKNJDLMB-UHFFFAOYSA-N 1 2 344.415 0.225 20 30 ECEDLO O=C(C#CC1CC1)NCC1(O)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001074621697 787425034 /nfs/dbraw/zinc/42/50/34/787425034.db2.gz MFPJXHCKNJDLMB-UHFFFAOYSA-N 1 2 344.415 0.225 20 30 ECEDLO C=C[C@H](CC)CC(=O)NCC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001074631829 787453293 /nfs/dbraw/zinc/45/32/93/787453293.db2.gz ICJRJQXQDOEPGW-OAHLLOKOSA-N 1 2 348.447 0.955 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001074632086 787453847 /nfs/dbraw/zinc/45/38/47/787453847.db2.gz UDWPIPQYIAKZFU-HUUCEWRRSA-N 1 2 348.447 0.811 20 30 ECEDLO C#CCCCC(=O)NCC1(O)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001074650451 787508931 /nfs/dbraw/zinc/50/89/31/787508931.db2.gz BTJADUWUQSNTDB-UHFFFAOYSA-N 1 2 346.431 0.546 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001073927008 787539164 /nfs/dbraw/zinc/53/91/64/787539164.db2.gz NMKHYNIUQSJXKI-LSDHHAIUSA-N 1 2 346.431 0.735 20 30 ECEDLO CC(C)C#CC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001073940283 787553163 /nfs/dbraw/zinc/55/31/63/787553163.db2.gz CSEAZNFFESIPKY-GOEBONIOSA-N 1 2 330.432 0.975 20 30 ECEDLO CC(C)C#CC(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001073940284 787553382 /nfs/dbraw/zinc/55/33/82/787553382.db2.gz CSEAZNFFESIPKY-HOCLYGCPSA-N 1 2 330.432 0.975 20 30 ECEDLO CC(C)C#CC(=O)N1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001074080859 787831079 /nfs/dbraw/zinc/83/10/79/787831079.db2.gz YVUDUJURZGHOGN-GDBMZVCRSA-N 1 2 330.432 0.975 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001074084531 787838654 /nfs/dbraw/zinc/83/86/54/787838654.db2.gz IVSFCJDHFJCVDV-CVEARBPZSA-N 1 2 346.431 0.666 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC001074089728 787851995 /nfs/dbraw/zinc/85/19/95/787851995.db2.gz HJKHKRZCMOJJKD-ZFWWWQNUSA-N 1 2 346.431 0.654 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001074107079 787889815 /nfs/dbraw/zinc/88/98/15/787889815.db2.gz LTTGSWLXMAWEMM-CABCVRRESA-N 1 2 348.447 0.909 20 30 ECEDLO Cc1nnc(C[N@@H+]2CCC3(CN(C(=O)c4c[nH]c(C#N)c4)C3)C2)o1 ZINC001072639834 788483109 /nfs/dbraw/zinc/48/31/09/788483109.db2.gz QSLGZNMRQPCQJO-UHFFFAOYSA-N 1 2 326.360 0.926 20 30 ECEDLO Cc1nnc(C[N@H+]2CCC3(CN(C(=O)c4c[nH]c(C#N)c4)C3)C2)o1 ZINC001072639834 788483115 /nfs/dbraw/zinc/48/31/15/788483115.db2.gz QSLGZNMRQPCQJO-UHFFFAOYSA-N 1 2 326.360 0.926 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)CSCC#N ZINC001075080971 788868022 /nfs/dbraw/zinc/86/80/22/788868022.db2.gz BRGLEPWOSPJKSN-STQMWFEESA-N 1 2 349.460 0.715 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)CSCC#N ZINC001075080969 788868080 /nfs/dbraw/zinc/86/80/80/788868080.db2.gz BRGLEPWOSPJKSN-OLZOCXBDSA-N 1 2 349.460 0.715 20 30 ECEDLO C=CCN1CC[C@@H]([NH2+]Cc2cn([C@@H]3CCCN(C(C)=O)C3)nn2)C1=O ZINC001075373152 789289268 /nfs/dbraw/zinc/28/92/68/789289268.db2.gz TXAYGJVEAHFXSB-HZPDHXFCSA-N 1 2 346.435 0.338 20 30 ECEDLO N#CCN[C@@H]1CCCO[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001075415000 789343355 /nfs/dbraw/zinc/34/33/55/789343355.db2.gz CIUWSRADNQPYEQ-WBVHZDCISA-N 1 2 331.420 0.852 20 30 ECEDLO C#CC[NH2+][C@H]1CCCO[C@H]1C1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC001075416220 789344685 /nfs/dbraw/zinc/34/46/85/789344685.db2.gz VZSZSGFKLIDKLU-YOEHRIQHSA-N 1 2 331.420 0.356 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CCC(CC)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001069374869 789782423 /nfs/dbraw/zinc/78/24/23/789782423.db2.gz WMIWASNEQZWAIB-AWEZNQCLSA-N 1 2 346.431 0.878 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCCN1c1ccnc(C#N)n1 ZINC001069414478 789811500 /nfs/dbraw/zinc/81/15/00/789811500.db2.gz CFWZEESVIAZCJR-YPMHNXCESA-N 1 2 325.376 0.788 20 30 ECEDLO N#Cc1nccc(NC[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001069475168 789849821 /nfs/dbraw/zinc/84/98/21/789849821.db2.gz BXHYIABPABOOQT-OLZOCXBDSA-N 1 2 325.376 0.364 20 30 ECEDLO CCC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001069582361 789917900 /nfs/dbraw/zinc/91/79/00/789917900.db2.gz DQVLAFCYYBSLIA-UONOGXRCSA-N 1 2 336.436 0.364 20 30 ECEDLO CCC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001069582361 789917902 /nfs/dbraw/zinc/91/79/02/789917902.db2.gz DQVLAFCYYBSLIA-UONOGXRCSA-N 1 2 336.436 0.364 20 30 ECEDLO C#CCOCCC(=O)NC1(CC)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001069646728 789947573 /nfs/dbraw/zinc/94/75/73/789947573.db2.gz QOFAIJIGGQZNCR-UHFFFAOYSA-N 1 2 346.431 0.880 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001069732954 789994480 /nfs/dbraw/zinc/99/44/80/789994480.db2.gz VECIMTOAFCTVMU-SFHVURJKSA-N 1 2 346.431 0.996 20 30 ECEDLO CO[C@H](C)C[N@@H+]1CCn2ncc(CNC(=O)c3ccc(C#N)[nH]3)c2C1 ZINC001069857634 790107402 /nfs/dbraw/zinc/10/74/02/790107402.db2.gz DNVSVMHTRSEMKX-GFCCVEGCSA-N 1 2 342.403 0.863 20 30 ECEDLO CO[C@H](C)C[N@H+]1CCn2ncc(CNC(=O)c3ccc(C#N)[nH]3)c2C1 ZINC001069857634 790107404 /nfs/dbraw/zinc/10/74/04/790107404.db2.gz DNVSVMHTRSEMKX-GFCCVEGCSA-N 1 2 342.403 0.863 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3cn(C)c(=O)n3C)c2C1 ZINC001069883584 790150111 /nfs/dbraw/zinc/15/01/11/790150111.db2.gz QHWKCCFQVAOXTG-UHFFFAOYSA-N 1 2 344.419 0.242 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3cn(C)c(=O)n3C)c2C1 ZINC001069883584 790150114 /nfs/dbraw/zinc/15/01/14/790150114.db2.gz QHWKCCFQVAOXTG-UHFFFAOYSA-N 1 2 344.419 0.242 20 30 ECEDLO C#CCC[N@H+]1C[C@@H](NC(=O)c2snnc2C)[C@@H](n2ccnn2)C1 ZINC001069895433 790163074 /nfs/dbraw/zinc/16/30/74/790163074.db2.gz UAGYVOSONZMFOU-NEPJUHHUSA-N 1 2 331.405 0.117 20 30 ECEDLO C#CCC[N@@H+]1C[C@@H](NC(=O)c2snnc2C)[C@@H](n2ccnn2)C1 ZINC001069895433 790163077 /nfs/dbraw/zinc/16/30/77/790163077.db2.gz UAGYVOSONZMFOU-NEPJUHHUSA-N 1 2 331.405 0.117 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2nccn2CC)[C@@H](n2ccnn2)C1 ZINC001069918551 790188374 /nfs/dbraw/zinc/18/83/74/790188374.db2.gz XCJKRRUOVJMCFJ-KGLIPLIRSA-N 1 2 327.392 0.173 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2nccn2CC)[C@@H](n2ccnn2)C1 ZINC001069918551 790188376 /nfs/dbraw/zinc/18/83/76/790188376.db2.gz XCJKRRUOVJMCFJ-KGLIPLIRSA-N 1 2 327.392 0.173 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCn3nccc32)[C@@H](n2ccnn2)C1 ZINC001069964184 790249365 /nfs/dbraw/zinc/24/93/65/790249365.db2.gz ZGJSQPIAAAUNNE-FMKPAKJESA-N 1 2 339.403 0.027 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCn3nccc32)[C@@H](n2ccnn2)C1 ZINC001069964184 790249370 /nfs/dbraw/zinc/24/93/70/790249370.db2.gz ZGJSQPIAAAUNNE-FMKPAKJESA-N 1 2 339.403 0.027 20 30 ECEDLO C[C@@H]1[C@@H](Nc2ccnc(C#N)n2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001068829607 791214598 /nfs/dbraw/zinc/21/45/98/791214598.db2.gz OLPNYHDQDWZKKL-NEPJUHHUSA-N 1 2 325.376 0.527 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001068836203 791227942 /nfs/dbraw/zinc/22/79/42/791227942.db2.gz BZQJPYPZYOCPIC-AWEZNQCLSA-N 1 2 344.415 0.550 20 30 ECEDLO C=CCC(C)(C)C(=O)N[C@H]1COC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001068874170 791320084 /nfs/dbraw/zinc/32/00/84/791320084.db2.gz KZBMKKKWWQZYAZ-CQSZACIVSA-N 1 2 346.431 0.972 20 30 ECEDLO C=CCOCC(=O)N1CC2(C1)C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)CO2 ZINC001068905124 791385038 /nfs/dbraw/zinc/38/50/38/791385038.db2.gz FSLWGGOQOQPZBR-CQSZACIVSA-N 1 2 348.403 0.031 20 30 ECEDLO C=CCOCC(=O)N1CC2(C1)C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)CO2 ZINC001068905124 791385040 /nfs/dbraw/zinc/38/50/40/791385040.db2.gz FSLWGGOQOQPZBR-CQSZACIVSA-N 1 2 348.403 0.031 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CC2(C1)C[C@H](NC(=O)Cn1cc[nH+]c1)CO2 ZINC001068915621 791410786 /nfs/dbraw/zinc/41/07/86/791410786.db2.gz LPVHKEPEZWDUBN-GJZGRUSLSA-N 1 2 346.431 0.972 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1COC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001069015006 791598260 /nfs/dbraw/zinc/59/82/60/791598260.db2.gz NSNOYIKUXQUCAH-YOEHRIQHSA-N 1 2 346.431 0.972 20 30 ECEDLO C[C@@H]1C[C@@H](Nc2ccc(C#N)nn2)CN1C(=O)Cc1c[nH+]cn1C ZINC001069122000 791722165 /nfs/dbraw/zinc/72/21/65/791722165.db2.gz MLFHSFMCXMBREV-DGCLKSJQSA-N 1 2 325.376 0.726 20 30 ECEDLO Cc1ccc(N2CC[NH+]([C@@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)nn1 ZINC001066698772 792020379 /nfs/dbraw/zinc/02/03/79/792020379.db2.gz OMDZWCWEEFQDLX-UKRRQHHQSA-N 1 2 328.420 0.668 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001066699006 792020559 /nfs/dbraw/zinc/02/05/59/792020559.db2.gz QWEORWPIOTXEGA-UKRRQHHQSA-N 1 2 339.403 0.231 20 30 ECEDLO Cc1ccc(N2CC[NH+]([C@@H]3CCN(C(=O)C#CC4CC4)C3)CC2)nn1 ZINC001066700714 792026495 /nfs/dbraw/zinc/02/64/95/792026495.db2.gz LAMYCQGJVRABLZ-QGZVFWFLSA-N 1 2 339.443 0.921 20 30 ECEDLO Cc1nccc(N2CC[NH+]([C@H]3CCN(C(=O)C#CC4CC4)C3)CC2)n1 ZINC001066701264 792027804 /nfs/dbraw/zinc/02/78/04/792027804.db2.gz RWSBWGOJAATFQF-KRWDZBQOSA-N 1 2 339.443 0.921 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]([NH+]2CCN(c3cnc(F)cn3)CC2)C1 ZINC001066701401 792030179 /nfs/dbraw/zinc/03/01/79/792030179.db2.gz WNEDXRLZHKHUTM-HNNXBMFYSA-N 1 2 343.406 0.752 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1)c1cncc(C#N)n1 ZINC001067765314 792249977 /nfs/dbraw/zinc/24/99/77/792249977.db2.gz JHJUBXKGRCFVEO-AWEZNQCLSA-N 1 2 325.376 0.672 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)CC[C@H]1C ZINC001067963517 792513348 /nfs/dbraw/zinc/51/33/48/792513348.db2.gz PWDYLNXJZHKQAH-IAQYHMDHSA-N 1 2 339.403 0.954 20 30 ECEDLO C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1Nc1ccnc(C#N)n1 ZINC001067168485 792771029 /nfs/dbraw/zinc/77/10/29/792771029.db2.gz LDPAMODMJFRXGR-OLZOCXBDSA-N 1 2 347.382 0.990 20 30 ECEDLO C[C@@H](Nc1ccc(C#N)nn1)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001068234512 792884476 /nfs/dbraw/zinc/88/44/76/792884476.db2.gz HVWJBOVVVBPRJC-OCCSQVGLSA-N 1 2 341.375 0.273 20 30 ECEDLO C[C@H](Nc1ccc(C#N)cn1)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001068236275 792894220 /nfs/dbraw/zinc/89/42/20/792894220.db2.gz GEZBCXLMPNQERP-JSGCOSHPSA-N 1 2 340.387 0.947 20 30 ECEDLO C[C@@H](Nc1ccc(C#N)nc1)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001068236848 792898227 /nfs/dbraw/zinc/89/82/27/792898227.db2.gz NHEYGUBVHAKAJY-IUODEOHRSA-N 1 2 340.387 0.947 20 30 ECEDLO C[C@H]1C[C@@H](CNc2cnc(C#N)cn2)CN1C(=O)Cn1cc[nH+]c1 ZINC001068335866 793070787 /nfs/dbraw/zinc/07/07/87/793070787.db2.gz QYHZUJHISDDTPP-STQMWFEESA-N 1 2 325.376 0.894 20 30 ECEDLO C[C@@H]1C[C@@H](CNc2cncc(C#N)n2)CN1C(=O)Cc1c[nH+]cn1C ZINC001068336894 793071593 /nfs/dbraw/zinc/07/15/93/793071593.db2.gz HAUFNMWUJGAAPI-OLZOCXBDSA-N 1 2 339.403 0.973 20 30 ECEDLO C[C@H]1C[C@H](CNc2ccnc(C#N)n2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001068349232 793098739 /nfs/dbraw/zinc/09/87/39/793098739.db2.gz ZFYZQGHHWFYPLM-NWDGAFQWSA-N 1 2 325.376 0.385 20 30 ECEDLO C[C@H]1CN(c2cncc(C#N)n2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067403096 793104694 /nfs/dbraw/zinc/10/46/94/793104694.db2.gz LGMMZYBQHFBQHM-JSGCOSHPSA-N 1 2 325.376 0.576 20 30 ECEDLO C[C@H]1C[C@H](CNc2cncc(C#N)n2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001068376148 793151190 /nfs/dbraw/zinc/15/11/90/793151190.db2.gz QAFNLFNMTWWCQB-NWDGAFQWSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@H]1C[C@@H](CNc2cnc(C#N)cn2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001068376591 793151901 /nfs/dbraw/zinc/15/19/01/793151901.db2.gz WZBBXHUKBWTLLF-RYUDHWBXSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@H]1CN(c2cncc(C#N)n2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067440716 793163205 /nfs/dbraw/zinc/16/32/05/793163205.db2.gz NVQNEPMSHUAFEC-SMDDNHRTSA-N 1 2 325.376 0.645 20 30 ECEDLO C#CCCCC(=O)N1CCOC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001068389124 793182285 /nfs/dbraw/zinc/18/22/85/793182285.db2.gz XHULKQPZVQHSML-UHFFFAOYSA-N 1 2 330.388 0.196 20 30 ECEDLO C=CCCC(=O)N1CC2(C1)CN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)CCO2 ZINC001068401636 793225287 /nfs/dbraw/zinc/22/52/87/793225287.db2.gz AXXYCKNXQAHKCM-AWEZNQCLSA-N 1 2 346.431 0.994 20 30 ECEDLO C=CCCC(=O)N1CC2(C1)CN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)CCO2 ZINC001068401636 793225298 /nfs/dbraw/zinc/22/52/98/793225298.db2.gz AXXYCKNXQAHKCM-AWEZNQCLSA-N 1 2 346.431 0.994 20 30 ECEDLO CN(CC[NH2+]Cc1ccc(C#N)cc1F)C(=O)C1=NC(=O)N(C)C1 ZINC001267424303 837395732 /nfs/dbraw/zinc/39/57/32/837395732.db2.gz JYFLIOZLOVDHOO-UHFFFAOYSA-N 1 2 331.351 0.998 20 30 ECEDLO CN(CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C(=O)c1ccc(C#N)[nH]1 ZINC001408605992 837427745 /nfs/dbraw/zinc/42/77/45/837427745.db2.gz JCHHOZOYAHHLNW-LBPRGKRZSA-N 1 2 340.387 0.534 20 30 ECEDLO C#Cc1ccccc1CC(=O)N(C)CC[NH2+]Cc1nc(N(C)C)no1 ZINC001267461701 837451955 /nfs/dbraw/zinc/45/19/55/837451955.db2.gz ZTYNEQQJXCVIPE-UHFFFAOYSA-N 1 2 341.415 0.908 20 30 ECEDLO C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCOCC1 ZINC001267532667 837706645 /nfs/dbraw/zinc/70/66/45/837706645.db2.gz DPJDPLFRWRKCOO-IYBDPMFKSA-N 1 2 335.448 0.877 20 30 ECEDLO C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CCOCC1 ZINC001267532667 837706651 /nfs/dbraw/zinc/70/66/51/837706651.db2.gz DPJDPLFRWRKCOO-IYBDPMFKSA-N 1 2 335.448 0.877 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CCN(C)C(=O)/C=C(\C)CC)CC1 ZINC001267571892 837806659 /nfs/dbraw/zinc/80/66/59/837806659.db2.gz BDCUCSBLMGKYBR-JQIJEIRASA-N 1 2 336.480 0.721 20 30 ECEDLO C#CCCCC(=O)N(C)CCN1CC[NH+]([C@H]2CCN(CC)C2=O)CC1 ZINC001267572634 837810395 /nfs/dbraw/zinc/81/03/95/837810395.db2.gz ROERABAYSMXLGA-KRWDZBQOSA-N 1 2 348.491 0.487 20 30 ECEDLO C#CCCCC(=O)N(C)CC[NH+]1CCN([C@H]2CCN(CC)C2=O)CC1 ZINC001267572634 837810402 /nfs/dbraw/zinc/81/04/02/837810402.db2.gz ROERABAYSMXLGA-KRWDZBQOSA-N 1 2 348.491 0.487 20 30 ECEDLO C#CCN1CC[NH+](CCN(C)C(=O)c2cnn3ccc(C)nc23)CC1 ZINC001267575556 837827929 /nfs/dbraw/zinc/82/79/29/837827929.db2.gz GATSULDSFHESPG-UHFFFAOYSA-N 1 2 340.431 0.361 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N(C)CC)C2)cn1 ZINC001266246996 835553066 /nfs/dbraw/zinc/55/30/66/835553066.db2.gz ZUXMFWDHESUXKR-MRXNPFEDSA-N 1 2 328.416 0.735 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N(C)CC)C2)cn1 ZINC001266246996 835553075 /nfs/dbraw/zinc/55/30/75/835553075.db2.gz ZUXMFWDHESUXKR-MRXNPFEDSA-N 1 2 328.416 0.735 20 30 ECEDLO CCCn1ncnc1CN1CC[NH+](CCNC(=O)C#CC(C)C)CC1 ZINC001266283021 835613648 /nfs/dbraw/zinc/61/36/48/835613648.db2.gz AZKFANPHKHPPPE-UHFFFAOYSA-N 1 2 346.479 0.581 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)CCNC(=O)[C@H]1CO[C@@H](C)C1 ZINC001266291043 835635435 /nfs/dbraw/zinc/63/54/35/835635435.db2.gz SJWORWBQDRSPPV-LSDHHAIUSA-N 1 2 325.453 0.884 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1CO[C@@H](C)C1 ZINC001266291043 835635439 /nfs/dbraw/zinc/63/54/39/835635439.db2.gz SJWORWBQDRSPPV-LSDHHAIUSA-N 1 2 325.453 0.884 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(CCNC(=O)[C@H](C)C(C)C)CC1 ZINC001266294699 835641027 /nfs/dbraw/zinc/64/10/27/835641027.db2.gz HWFLSMLVQDSGHF-HZPDHXFCSA-N 1 2 338.496 0.703 20 30 ECEDLO Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001266297934 835650094 /nfs/dbraw/zinc/65/00/94/835650094.db2.gz YERXEESGQDQUIC-CQSZACIVSA-N 1 2 346.479 0.473 20 30 ECEDLO CS(=O)(=O)CC1(C[N@@H+]2CC[C@@H](NC(=O)CSCC#N)C2)CC1 ZINC001266302546 835664515 /nfs/dbraw/zinc/66/45/15/835664515.db2.gz RLVYZRPFSQWUSP-GFCCVEGCSA-N 1 2 345.490 0.258 20 30 ECEDLO CS(=O)(=O)CC1(C[N@H+]2CC[C@@H](NC(=O)CSCC#N)C2)CC1 ZINC001266302546 835664518 /nfs/dbraw/zinc/66/45/18/835664518.db2.gz RLVYZRPFSQWUSP-GFCCVEGCSA-N 1 2 345.490 0.258 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccnn2C(C)C)C1 ZINC001266321701 835695880 /nfs/dbraw/zinc/69/58/80/835695880.db2.gz USOMTRTWIKDXRF-ZIAGYGMSSA-N 1 2 331.420 0.406 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccnn2C(C)C)C1 ZINC001266321701 835695886 /nfs/dbraw/zinc/69/58/86/835695886.db2.gz USOMTRTWIKDXRF-ZIAGYGMSSA-N 1 2 331.420 0.406 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cc(F)ccc2F)C1 ZINC001266322799 835697261 /nfs/dbraw/zinc/69/72/61/835697261.db2.gz OBUMECOVRRAHCI-DGCLKSJQSA-N 1 2 335.354 0.907 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cc(F)ccc2F)C1 ZINC001266322799 835697265 /nfs/dbraw/zinc/69/72/65/835697265.db2.gz OBUMECOVRRAHCI-DGCLKSJQSA-N 1 2 335.354 0.907 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001266327853 835707481 /nfs/dbraw/zinc/70/74/81/835707481.db2.gz NEOJIDHKTOATMI-TZMCWYRMSA-N 1 2 340.383 0.770 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001266327853 835707492 /nfs/dbraw/zinc/70/74/92/835707492.db2.gz NEOJIDHKTOATMI-TZMCWYRMSA-N 1 2 340.383 0.770 20 30 ECEDLO C#CCOc1ccc(C(=O)NCC[N@@H+](C)CC(=O)N(C)CC)cc1 ZINC001266335139 835717590 /nfs/dbraw/zinc/71/75/90/835717590.db2.gz JZOSXMWLISSJIV-UHFFFAOYSA-N 1 2 331.416 0.839 20 30 ECEDLO C#CCOc1ccc(C(=O)NCC[N@H+](C)CC(=O)N(C)CC)cc1 ZINC001266335139 835717597 /nfs/dbraw/zinc/71/75/97/835717597.db2.gz JZOSXMWLISSJIV-UHFFFAOYSA-N 1 2 331.416 0.839 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001266336773 835720155 /nfs/dbraw/zinc/72/01/55/835720155.db2.gz VZSJHWITMJJMGX-OLZOCXBDSA-N 1 2 327.375 0.752 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001266336773 835720160 /nfs/dbraw/zinc/72/01/60/835720160.db2.gz VZSJHWITMJJMGX-OLZOCXBDSA-N 1 2 327.375 0.752 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001266339816 835724794 /nfs/dbraw/zinc/72/47/94/835724794.db2.gz YOSIRXBYVCJNOY-AWEZNQCLSA-N 1 2 325.372 0.116 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001266339816 835724801 /nfs/dbraw/zinc/72/48/01/835724801.db2.gz YOSIRXBYVCJNOY-AWEZNQCLSA-N 1 2 325.372 0.116 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2coc(C3CCC3)n2)C1 ZINC001266350206 835747000 /nfs/dbraw/zinc/74/70/00/835747000.db2.gz RHVWKLWVDDGNOQ-TZMCWYRMSA-N 1 2 344.415 0.884 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2coc(C3CCC3)n2)C1 ZINC001266350206 835747005 /nfs/dbraw/zinc/74/70/05/835747005.db2.gz RHVWKLWVDDGNOQ-TZMCWYRMSA-N 1 2 344.415 0.884 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc3c(c2)CCC3)C1 ZINC001266358626 835766122 /nfs/dbraw/zinc/76/61/22/835766122.db2.gz FRHRIYYBSCNASQ-QGZVFWFLSA-N 1 2 340.427 0.548 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc3c(c2)CCC3)C1 ZINC001266358626 835766125 /nfs/dbraw/zinc/76/61/25/835766125.db2.gz FRHRIYYBSCNASQ-QGZVFWFLSA-N 1 2 340.427 0.548 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1coc(C)c1 ZINC001266457806 835861060 /nfs/dbraw/zinc/86/10/60/835861060.db2.gz MVQGYBNPYWOGEX-AWEZNQCLSA-N 1 2 348.403 0.794 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1coc(C)c1 ZINC001266457806 835861067 /nfs/dbraw/zinc/86/10/67/835861067.db2.gz MVQGYBNPYWOGEX-AWEZNQCLSA-N 1 2 348.403 0.794 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C1(C2CC2)CC1 ZINC001266467852 835869241 /nfs/dbraw/zinc/86/92/41/835869241.db2.gz FKTSDARPMJLXQE-AWEZNQCLSA-N 1 2 348.447 0.769 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C1(C2CC2)CC1 ZINC001266467852 835869248 /nfs/dbraw/zinc/86/92/48/835869248.db2.gz FKTSDARPMJLXQE-AWEZNQCLSA-N 1 2 348.447 0.769 20 30 ECEDLO Cc1nc(CC(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NCC#N)c(C)s1 ZINC001266471279 835874598 /nfs/dbraw/zinc/87/45/98/835874598.db2.gz LUVXWFOWMRSDGH-ZDUSSCGKSA-N 1 2 349.460 0.523 20 30 ECEDLO Cc1nc(CC(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NCC#N)c(C)s1 ZINC001266471279 835874603 /nfs/dbraw/zinc/87/46/03/835874603.db2.gz LUVXWFOWMRSDGH-ZDUSSCGKSA-N 1 2 349.460 0.523 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(F)c1F ZINC001266478002 835879687 /nfs/dbraw/zinc/87/96/87/835879687.db2.gz YRDOHXGYOIKFTG-GFCCVEGCSA-N 1 2 335.354 0.908 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(F)c1F ZINC001266478002 835879689 /nfs/dbraw/zinc/87/96/89/835879689.db2.gz YRDOHXGYOIKFTG-GFCCVEGCSA-N 1 2 335.354 0.908 20 30 ECEDLO CN1CCC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CSCC#N)C1=O ZINC001266478126 835880038 /nfs/dbraw/zinc/88/00/38/835880038.db2.gz CXIHGSKDNSWMIB-MJBXVCDLSA-N 1 2 336.461 0.539 20 30 ECEDLO CN1CCC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CSCC#N)C1=O ZINC001266478126 835880041 /nfs/dbraw/zinc/88/00/41/835880041.db2.gz CXIHGSKDNSWMIB-MJBXVCDLSA-N 1 2 336.461 0.539 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1ncccc1OC ZINC001266492681 835893739 /nfs/dbraw/zinc/89/37/39/835893739.db2.gz USOFUOBXDLMWQZ-ZDUSSCGKSA-N 1 2 332.404 0.587 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1ncccc1OC ZINC001266492681 835893749 /nfs/dbraw/zinc/89/37/49/835893749.db2.gz USOFUOBXDLMWQZ-ZDUSSCGKSA-N 1 2 332.404 0.587 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001266494654 835894001 /nfs/dbraw/zinc/89/40/01/835894001.db2.gz VWDJUTFJIBOWOX-PFHJDOJBSA-N 1 2 347.459 0.920 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001266494654 835894005 /nfs/dbraw/zinc/89/40/05/835894005.db2.gz VWDJUTFJIBOWOX-PFHJDOJBSA-N 1 2 347.459 0.920 20 30 ECEDLO C=CCOCC(=O)NC[C@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC001266505389 835906856 /nfs/dbraw/zinc/90/68/56/835906856.db2.gz JQKGXLNTOSLKOG-CXAGYDPISA-N 1 2 349.406 0.993 20 30 ECEDLO C=CCOCC(=O)NC[C@H]1CC[N@H+]([C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC001266505389 835906861 /nfs/dbraw/zinc/90/68/61/835906861.db2.gz JQKGXLNTOSLKOG-CXAGYDPISA-N 1 2 349.406 0.993 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001266839924 836366471 /nfs/dbraw/zinc/36/64/71/836366471.db2.gz LNGUJZIYMKOIRZ-CQSZACIVSA-N 1 2 327.388 0.220 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001266839924 836366477 /nfs/dbraw/zinc/36/64/77/836366477.db2.gz LNGUJZIYMKOIRZ-CQSZACIVSA-N 1 2 327.388 0.220 20 30 ECEDLO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)CS(=O)(=O)CCOC ZINC001266844841 836371825 /nfs/dbraw/zinc/37/18/25/836371825.db2.gz QOQVOEYPJAWNQT-CQSZACIVSA-N 1 2 332.466 0.594 20 30 ECEDLO C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CS(=O)(=O)CCOC ZINC001266844841 836371839 /nfs/dbraw/zinc/37/18/39/836371839.db2.gz QOQVOEYPJAWNQT-CQSZACIVSA-N 1 2 332.466 0.594 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CCn1cccc1 ZINC001266858988 836397836 /nfs/dbraw/zinc/39/78/36/836397836.db2.gz VQMVKCIRAUSWPQ-HNNXBMFYSA-N 1 2 331.420 0.489 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CCn1cccc1 ZINC001266858988 836397847 /nfs/dbraw/zinc/39/78/47/836397847.db2.gz VQMVKCIRAUSWPQ-HNNXBMFYSA-N 1 2 331.420 0.489 20 30 ECEDLO Cc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=O)NCC#N)c(C)n1C ZINC001266859180 836398748 /nfs/dbraw/zinc/39/87/48/836398748.db2.gz JFPYURFLSLLNOE-HNNXBMFYSA-N 1 2 345.447 0.866 20 30 ECEDLO Cc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(=O)NCC#N)c(C)n1C ZINC001266859180 836398757 /nfs/dbraw/zinc/39/87/57/836398757.db2.gz JFPYURFLSLLNOE-HNNXBMFYSA-N 1 2 345.447 0.866 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001266973125 836543285 /nfs/dbraw/zinc/54/32/85/836543285.db2.gz IFDGIHFAQMEHIV-BNOWGMLFSA-N 1 2 345.403 0.208 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccc(N(C)C)cc1F ZINC001267199305 836968937 /nfs/dbraw/zinc/96/89/37/836968937.db2.gz LELPQWYPASCTEZ-UHFFFAOYSA-N 1 2 336.411 0.856 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1ccc(N(C)C)cc1F ZINC001267199305 836968942 /nfs/dbraw/zinc/96/89/42/836968942.db2.gz LELPQWYPASCTEZ-UHFFFAOYSA-N 1 2 336.411 0.856 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cnn2ccc(C)nc12 ZINC001267225917 837023835 /nfs/dbraw/zinc/02/38/35/837023835.db2.gz HYFXXOPFLLHRAY-UHFFFAOYSA-N 1 2 330.392 0.002 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cnn2ccc(C)nc12 ZINC001267225917 837023846 /nfs/dbraw/zinc/02/38/46/837023846.db2.gz HYFXXOPFLLHRAY-UHFFFAOYSA-N 1 2 330.392 0.002 20 30 ECEDLO COc1cccc2[nH]c(C(=O)NCC[N@H+](C)CC(=O)NCC#N)cc21 ZINC001267229763 837031006 /nfs/dbraw/zinc/03/10/06/837031006.db2.gz BUKPYWMTTDJKID-UHFFFAOYSA-N 1 2 343.387 0.478 20 30 ECEDLO COc1cccc2[nH]c(C(=O)NCC[N@@H+](C)CC(=O)NCC#N)cc21 ZINC001267229763 837031021 /nfs/dbraw/zinc/03/10/21/837031021.db2.gz BUKPYWMTTDJKID-UHFFFAOYSA-N 1 2 343.387 0.478 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2CNC(=O)CCc2cnc[nH]2)C1=O ZINC001267269538 837109272 /nfs/dbraw/zinc/10/92/72/837109272.db2.gz OMORYFZIPGEMAL-JKSUJKDBSA-N 1 2 345.447 0.710 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CNC(=O)CCc2cnc[nH]2)C1=O ZINC001267269538 837109275 /nfs/dbraw/zinc/10/92/75/837109275.db2.gz OMORYFZIPGEMAL-JKSUJKDBSA-N 1 2 345.447 0.710 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2[nH]ccc2n1 ZINC001267276689 837120343 /nfs/dbraw/zinc/12/03/43/837120343.db2.gz PVQXIMJXCXOSPN-LBPRGKRZSA-N 1 2 340.387 0.397 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2[nH]ccc2n1 ZINC001267276689 837120348 /nfs/dbraw/zinc/12/03/48/837120348.db2.gz PVQXIMJXCXOSPN-LBPRGKRZSA-N 1 2 340.387 0.397 20 30 ECEDLO COCC#CC[NH2+][C@H](CNC(=O)C1=NC(=O)N(C)C1)c1ccccc1 ZINC001267369758 837267539 /nfs/dbraw/zinc/26/75/39/837267539.db2.gz HRHNYVRGQGVIKU-OAHLLOKOSA-N 1 2 342.399 0.836 20 30 ECEDLO C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)c2cccc3nn[nH]c32)C1=O ZINC001267376803 837289184 /nfs/dbraw/zinc/28/91/84/837289184.db2.gz OVJVTUXULIIVCK-AWEZNQCLSA-N 1 2 342.403 0.406 20 30 ECEDLO C=CCCC(=O)N(C)CC[NH+]1CCN(CC(=O)N(C)C2CC2)CC1 ZINC001267606353 837945334 /nfs/dbraw/zinc/94/53/34/837945334.db2.gz WDCRKHXYLJASLB-UHFFFAOYSA-N 1 2 336.480 0.649 20 30 ECEDLO C=CCCC(=O)N(C)CCN1CC[NH+](CC(=O)N(C)C2CC2)CC1 ZINC001267606353 837945341 /nfs/dbraw/zinc/94/53/41/837945341.db2.gz WDCRKHXYLJASLB-UHFFFAOYSA-N 1 2 336.480 0.649 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001267607501 837950549 /nfs/dbraw/zinc/95/05/49/837950549.db2.gz KQJNZPHWQIAIFN-DLBZAZTESA-N 1 2 327.432 0.785 20 30 ECEDLO Cc1nnc(CN2CC[NH+](CCN(C)C(=O)C#CC3CC3)CC2)[nH]1 ZINC001267607797 837951479 /nfs/dbraw/zinc/95/14/79/837951479.db2.gz VFPCGHKGZUFQGX-UHFFFAOYSA-N 1 2 330.436 0.103 20 30 ECEDLO C#CCN1CC[NH+](CCN(C)C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC001267612693 837982164 /nfs/dbraw/zinc/98/21/64/837982164.db2.gz UVXXCJWYOMFUPC-UHFFFAOYSA-N 1 2 341.415 0.591 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)CCOC)C1 ZINC001267620450 838058691 /nfs/dbraw/zinc/05/86/91/838058691.db2.gz BAPCBUWMFIAIQL-STQMWFEESA-N 1 2 340.424 0.004 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)CCOC)C1 ZINC001267620450 838058705 /nfs/dbraw/zinc/05/87/05/838058705.db2.gz BAPCBUWMFIAIQL-STQMWFEESA-N 1 2 340.424 0.004 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001267622230 838062459 /nfs/dbraw/zinc/06/24/59/838062459.db2.gz RBTSTLFSOPFLPV-QGZVFWFLSA-N 1 2 338.411 0.649 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001267622230 838062470 /nfs/dbraw/zinc/06/24/70/838062470.db2.gz RBTSTLFSOPFLPV-QGZVFWFLSA-N 1 2 338.411 0.649 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](NC(=O)c2n[nH]cc2F)C1 ZINC001267629891 838086607 /nfs/dbraw/zinc/08/66/07/838086607.db2.gz QCQCOQVPYICKEZ-ZDUSSCGKSA-N 1 2 349.410 0.944 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](NC(=O)c2n[nH]cc2F)C1 ZINC001267629891 838086614 /nfs/dbraw/zinc/08/66/14/838086614.db2.gz QCQCOQVPYICKEZ-ZDUSSCGKSA-N 1 2 349.410 0.944 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC1C[NH+](C[C@H](O)COc2ccccc2C)C1 ZINC001267642786 838125318 /nfs/dbraw/zinc/12/53/18/838125318.db2.gz CDQMEQPMYLTORH-LPHOPBHVSA-N 1 2 348.443 0.862 20 30 ECEDLO C=CC(C)(C)C(=O)NC1C[NH+](C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001267655092 838161930 /nfs/dbraw/zinc/16/19/30/838161930.db2.gz MSNOEJLQVHHPLP-GFCCVEGCSA-N 1 2 329.466 0.281 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH+]1CC(CNC(=O)c2ncccc2C)C1 ZINC001267678711 838229752 /nfs/dbraw/zinc/22/97/52/838229752.db2.gz SWRNWMBINVZPLU-UHFFFAOYSA-N 1 2 345.403 0.063 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)c2nsc3ccccc32)C1 ZINC001267683843 838244719 /nfs/dbraw/zinc/24/47/19/838244719.db2.gz QLLIWYQGHRNNTQ-UHFFFAOYSA-N 1 2 342.424 0.707 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2occ3c2CCOC3)C1 ZINC001267686776 838250284 /nfs/dbraw/zinc/25/02/84/838250284.db2.gz SMHTYGPYYNIKHO-UHFFFAOYSA-N 1 2 333.388 0.316 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H](OCC)C2CCCC2)C1 ZINC001267685925 838252864 /nfs/dbraw/zinc/25/28/64/838252864.db2.gz JJJSZRNGNQJTJV-YOEHRIQHSA-N 1 2 349.475 0.768 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2cccc3[nH]ccc32)C1 ZINC001267693347 838277027 /nfs/dbraw/zinc/27/70/27/838277027.db2.gz BGZMRZYVMMWBKC-CYBMUJFWSA-N 1 2 338.411 0.967 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2ccnc(OC(C)C)c2)C1 ZINC001267696339 838285835 /nfs/dbraw/zinc/28/58/35/838285835.db2.gz SNVNOYJVXVOHFP-UHFFFAOYSA-N 1 2 346.431 0.833 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2C[NH+](CC(=O)N[C@@H](C)CC)C2)cn1 ZINC001267697362 838290794 /nfs/dbraw/zinc/29/07/94/838290794.db2.gz IJVFKHBGTZPTAG-ZDUSSCGKSA-N 1 2 328.416 0.639 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2cc(C)nc2C1 ZINC001267709115 838314713 /nfs/dbraw/zinc/31/47/13/838314713.db2.gz PIHJJUFFFALDFB-ULQDDVLXSA-N 1 2 342.443 0.689 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2cc(C)nc2C1 ZINC001267709115 838314714 /nfs/dbraw/zinc/31/47/14/838314714.db2.gz PIHJJUFFFALDFB-ULQDDVLXSA-N 1 2 342.443 0.689 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC3(C2)CCOCC3)C1 ZINC001267732027 838423558 /nfs/dbraw/zinc/42/35/58/838423558.db2.gz DIYQKQVQOCMSPU-HNNXBMFYSA-N 1 2 335.448 0.686 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC3(C2)CCOCC3)C1 ZINC001267732027 838423560 /nfs/dbraw/zinc/42/35/60/838423560.db2.gz DIYQKQVQOCMSPU-HNNXBMFYSA-N 1 2 335.448 0.686 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)oc2C)C1 ZINC001267736973 838432789 /nfs/dbraw/zinc/43/27/89/838432789.db2.gz RMUIUJFZKRHHHD-CYBMUJFWSA-N 1 2 348.403 0.712 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)oc2C)C1 ZINC001267736973 838432792 /nfs/dbraw/zinc/43/27/92/838432792.db2.gz RMUIUJFZKRHHHD-CYBMUJFWSA-N 1 2 348.403 0.712 20 30 ECEDLO CN(C)c1cccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)c1 ZINC001267751872 838473016 /nfs/dbraw/zinc/47/30/16/838473016.db2.gz MKGYQDOEDRJZHC-CQSZACIVSA-N 1 2 329.404 0.196 20 30 ECEDLO CN(C)c1cccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)c1 ZINC001267751872 838473022 /nfs/dbraw/zinc/47/30/22/838473022.db2.gz MKGYQDOEDRJZHC-CQSZACIVSA-N 1 2 329.404 0.196 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC2(F)F)C1 ZINC001267762626 838491705 /nfs/dbraw/zinc/49/17/05/838491705.db2.gz SFZZVZYKUJJWNV-QWRGUYRKSA-N 1 2 344.362 0.186 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC2(F)F)C1 ZINC001267762626 838491709 /nfs/dbraw/zinc/49/17/09/838491709.db2.gz SFZZVZYKUJJWNV-QWRGUYRKSA-N 1 2 344.362 0.186 20 30 ECEDLO CCN(C(=O)c1cnccc1C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267784470 838560030 /nfs/dbraw/zinc/56/00/30/838560030.db2.gz KBDDBLROHZFTMP-AWEZNQCLSA-N 1 2 329.404 0.566 20 30 ECEDLO CCN(C(=O)c1cnccc1C)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267784470 838560032 /nfs/dbraw/zinc/56/00/32/838560032.db2.gz KBDDBLROHZFTMP-AWEZNQCLSA-N 1 2 329.404 0.566 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cnoc2CC)C1 ZINC001267789547 838569382 /nfs/dbraw/zinc/56/93/82/838569382.db2.gz GSJZMVZHRGJCDY-CYBMUJFWSA-N 1 2 332.404 0.523 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnoc2CC)C1 ZINC001267789547 838569390 /nfs/dbraw/zinc/56/93/90/838569390.db2.gz GSJZMVZHRGJCDY-CYBMUJFWSA-N 1 2 332.404 0.523 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)c2nccs2)C1 ZINC001267791755 838571667 /nfs/dbraw/zinc/57/16/67/838571667.db2.gz WRJSMPVRNOXRNF-STQMWFEESA-N 1 2 334.445 0.817 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)c2nccs2)C1 ZINC001267791755 838571674 /nfs/dbraw/zinc/57/16/74/838571674.db2.gz WRJSMPVRNOXRNF-STQMWFEESA-N 1 2 334.445 0.817 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cccc(CC)n2)C1 ZINC001267942749 838830275 /nfs/dbraw/zinc/83/02/75/838830275.db2.gz MDSIGUMVUYMEJF-GOEBONIOSA-N 1 2 342.443 0.976 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cccc(CC)n2)C1 ZINC001267942749 838830280 /nfs/dbraw/zinc/83/02/80/838830280.db2.gz MDSIGUMVUYMEJF-GOEBONIOSA-N 1 2 342.443 0.976 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2coc(C(N)=O)c2)C1 ZINC001267956567 838862674 /nfs/dbraw/zinc/86/26/74/838862674.db2.gz JICSYJMNFACGLL-WCQYABFASA-N 1 2 348.403 0.263 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2coc(C(N)=O)c2)C1 ZINC001267956567 838862684 /nfs/dbraw/zinc/86/26/84/838862684.db2.gz JICSYJMNFACGLL-WCQYABFASA-N 1 2 348.403 0.263 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cccn3ccnc23)C1 ZINC001267969244 838889873 /nfs/dbraw/zinc/88/98/73/838889873.db2.gz GEHMIHLNMYCAQD-CQSZACIVSA-N 1 2 341.415 0.831 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cccn3ccnc23)C1 ZINC001267969244 838889886 /nfs/dbraw/zinc/88/98/86/838889886.db2.gz GEHMIHLNMYCAQD-CQSZACIVSA-N 1 2 341.415 0.831 20 30 ECEDLO C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)c2ncc3n2CCCC3)C1 ZINC001268028587 839042403 /nfs/dbraw/zinc/04/24/03/839042403.db2.gz JINMNVZLNZXTJZ-INIZCTEOSA-N 1 2 348.447 0.853 20 30 ECEDLO C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)c2ncc3n2CCCC3)C1 ZINC001268028587 839042416 /nfs/dbraw/zinc/04/24/16/839042416.db2.gz JINMNVZLNZXTJZ-INIZCTEOSA-N 1 2 348.447 0.853 20 30 ECEDLO C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(N(C)C)ccn2)C1 ZINC001268028765 839043706 /nfs/dbraw/zinc/04/37/06/839043706.db2.gz NAYUMAGHZOCKMA-INIZCTEOSA-N 1 2 348.447 0.781 20 30 ECEDLO C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)c2cc(N(C)C)ccn2)C1 ZINC001268028765 839043708 /nfs/dbraw/zinc/04/37/08/839043708.db2.gz NAYUMAGHZOCKMA-INIZCTEOSA-N 1 2 348.447 0.781 20 30 ECEDLO Cc1ncc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cc1C#N ZINC000408361053 282163519 /nfs/dbraw/zinc/16/35/19/282163519.db2.gz BYZDSEJAVUXBHA-VXGBXAGGSA-N 1 2 338.433 0.337 20 30 ECEDLO Cc1ncc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cc1C#N ZINC000408361053 282163522 /nfs/dbraw/zinc/16/35/22/282163522.db2.gz BYZDSEJAVUXBHA-VXGBXAGGSA-N 1 2 338.433 0.337 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCN4C(=O)NC[C@@H]4C3)C2=O)cc1 ZINC000175874164 283164937 /nfs/dbraw/zinc/16/49/37/283164937.db2.gz SVWIXPOBWSVRBD-HUUCEWRRSA-N 1 2 325.372 0.373 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCN4C(=O)NC[C@@H]4C3)C2=O)cc1 ZINC000175874164 283164941 /nfs/dbraw/zinc/16/49/41/283164941.db2.gz SVWIXPOBWSVRBD-HUUCEWRRSA-N 1 2 325.372 0.373 20 30 ECEDLO CN(C)[C@H](C(=O)NCC(=O)c1ccc(C#N)cc1)c1c[nH+]cn1C ZINC000356233654 299368310 /nfs/dbraw/zinc/36/83/10/299368310.db2.gz HWPFBRXSWOYRNJ-INIZCTEOSA-N 1 2 325.372 0.894 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2cccc(OC)c2)CC1 ZINC000264209215 246185233 /nfs/dbraw/zinc/18/52/33/246185233.db2.gz VMOCCTHSIWMZKH-UHFFFAOYSA-N 1 2 343.427 0.521 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2cccc(OC)c2)CC1 ZINC000264209215 246185238 /nfs/dbraw/zinc/18/52/38/246185238.db2.gz VMOCCTHSIWMZKH-UHFFFAOYSA-N 1 2 343.427 0.521 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C3CC3)n[nH]2)CC1 ZINC000264912543 247038140 /nfs/dbraw/zinc/03/81/40/247038140.db2.gz NSVOSPKRJFDCBF-UHFFFAOYSA-N 1 2 329.404 0.184 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C3CC3)n[nH]2)CC1 ZINC000264912543 247038148 /nfs/dbraw/zinc/03/81/48/247038148.db2.gz NSVOSPKRJFDCBF-UHFFFAOYSA-N 1 2 329.404 0.184 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cncnc2C(C)C)CC1 ZINC000265061550 247170581 /nfs/dbraw/zinc/17/05/81/247170581.db2.gz SYOILOFFHUWORC-UHFFFAOYSA-N 1 2 343.431 0.497 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cncnc2C(C)C)CC1 ZINC000265061550 247170587 /nfs/dbraw/zinc/17/05/87/247170587.db2.gz SYOILOFFHUWORC-UHFFFAOYSA-N 1 2 343.431 0.497 20 30 ECEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000266875715 248486102 /nfs/dbraw/zinc/48/61/02/248486102.db2.gz SXMLFYSPJZPIHW-CYBMUJFWSA-N 1 2 343.431 0.767 20 30 ECEDLO COc1nccc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)n1 ZINC000449278158 211278903 /nfs/dbraw/zinc/27/89/03/211278903.db2.gz ZQNPLYAAWSVLIZ-UHFFFAOYSA-N 1 2 327.392 0.721 20 30 ECEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000267635736 251211893 /nfs/dbraw/zinc/21/18/93/251211893.db2.gz UFDHRIFGNRVWTR-WMLDXEAASA-N 1 2 346.431 0.510 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)COc1ccccc1C#N ZINC000267662454 251233924 /nfs/dbraw/zinc/23/39/24/251233924.db2.gz KIBNZPYMQGZJAG-HNNXBMFYSA-N 1 2 333.388 0.089 20 30 ECEDLO C=CCOCCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000378588704 254760216 /nfs/dbraw/zinc/76/02/16/254760216.db2.gz MNVSFEWTTHSOMN-OAHLLOKOSA-N 1 2 329.466 0.696 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCOC2)CC1 ZINC000491673263 254927098 /nfs/dbraw/zinc/92/70/98/254927098.db2.gz IHGVPGIJSIJTQW-HZPDHXFCSA-N 1 2 345.447 0.574 20 30 ECEDLO C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNc1ccnc(C#N)n1 ZINC000496180788 255078410 /nfs/dbraw/zinc/07/84/10/255078410.db2.gz XPUIDFFHFIJREX-LBPRGKRZSA-N 1 2 332.408 0.733 20 30 ECEDLO C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNc1ccnc(C#N)n1 ZINC000496180788 255078411 /nfs/dbraw/zinc/07/84/11/255078411.db2.gz XPUIDFFHFIJREX-LBPRGKRZSA-N 1 2 332.408 0.733 20 30 ECEDLO COCC1(C#N)CC[NH+](CC(=O)N[C@H](C(=O)OC)C(C)C)CC1 ZINC000352093120 292207743 /nfs/dbraw/zinc/20/77/43/292207743.db2.gz MRRWNKYDLNYYPY-AWEZNQCLSA-N 1 2 325.409 0.552 20 30 ECEDLO C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000246633061 165140405 /nfs/dbraw/zinc/14/04/05/165140405.db2.gz ORTKZMJJQNPYCZ-TZMCWYRMSA-N 1 2 326.418 0.663 20 30 ECEDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000246633061 165140410 /nfs/dbraw/zinc/14/04/10/165140410.db2.gz ORTKZMJJQNPYCZ-TZMCWYRMSA-N 1 2 326.418 0.663 20 30 ECEDLO N#Cc1ccccc1S(=O)(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000122320895 222061196 /nfs/dbraw/zinc/06/11/96/222061196.db2.gz NYENCXZOYSBYMT-CQSZACIVSA-N 1 2 335.429 0.901 20 30 ECEDLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1 ZINC000123317764 222256289 /nfs/dbraw/zinc/25/62/89/222256289.db2.gz IMHVMGSCFXECIA-MRXNPFEDSA-N 1 2 337.445 0.777 20 30 ECEDLO CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283141139 264087840 /nfs/dbraw/zinc/08/78/40/264087840.db2.gz DRZNIKONUGWIET-UHFFFAOYSA-N 1 2 325.372 0.920 20 30 ECEDLO CC(=O)N1CC[NH+](CCNC(=O)c2cc(C#N)cc(N(C)C)c2)CC1 ZINC000292867284 265663587 /nfs/dbraw/zinc/66/35/87/265663587.db2.gz SMHIZMONXLBTLD-UHFFFAOYSA-N 1 2 343.431 0.518 20 30 ECEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C#N)c(Cl)n2)CC1 ZINC000375092977 266161482 /nfs/dbraw/zinc/16/14/82/266161482.db2.gz GAFKOYZWQYIMKF-UHFFFAOYSA-N 1 2 349.822 0.891 20 30 ECEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C#N)c(Cl)n2)CC1 ZINC000375092977 266161486 /nfs/dbraw/zinc/16/14/86/266161486.db2.gz GAFKOYZWQYIMKF-UHFFFAOYSA-N 1 2 349.822 0.891 20 30 ECEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2nccc(C#N)n2)CC1 ZINC000296614781 267010468 /nfs/dbraw/zinc/01/04/68/267010468.db2.gz UJVPVNWHWJUVME-CQSZACIVSA-N 1 2 328.420 0.871 20 30 ECEDLO Cn1ncc(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c1C#N ZINC000526972890 268132020 /nfs/dbraw/zinc/13/20/20/268132020.db2.gz USLFWDLLOXRIFP-UHFFFAOYSA-N 1 2 349.398 0.897 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)o1 ZINC000376239624 268202667 /nfs/dbraw/zinc/20/26/67/268202667.db2.gz CNDPPGTWSDHXIT-GXTWGEPZSA-N 1 2 339.417 0.930 20 30 ECEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2c2nc(C(N)=O)no2)cc1 ZINC000365097133 268212647 /nfs/dbraw/zinc/21/26/47/268212647.db2.gz DYXWGLBPHJVZAA-OLZOCXBDSA-N 1 2 327.344 0.911 20 30 ECEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2c2nc(C(N)=O)no2)cc1 ZINC000365097133 268212650 /nfs/dbraw/zinc/21/26/50/268212650.db2.gz DYXWGLBPHJVZAA-OLZOCXBDSA-N 1 2 327.344 0.911 20 30 ECEDLO N#Cc1cccc(CNC(=O)C[NH+]2CCN(c3cnccn3)CC2)c1 ZINC000348859202 268250816 /nfs/dbraw/zinc/25/08/16/268250816.db2.gz OXVDGGBVYFHTOK-UHFFFAOYSA-N 1 2 336.399 0.787 20 30 ECEDLO N#Cc1cccc(N2CCN(C(=O)NCC[NH+]3CCOCC3)CC2)n1 ZINC000354668842 268260340 /nfs/dbraw/zinc/26/03/40/268260340.db2.gz HCTKINRAOKGAEB-UHFFFAOYSA-N 1 2 344.419 0.117 20 30 ECEDLO N#Cc1ccnc(N[C@@H]2CCCN(CC[NH+]3CCOCC3)C2=O)c1 ZINC000367836271 268299343 /nfs/dbraw/zinc/29/93/43/268299343.db2.gz NEQIDWBIECELII-OAHLLOKOSA-N 1 2 329.404 0.688 20 30 ECEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@](O)(C(N)=O)C2)C1=O ZINC000286159428 268304051 /nfs/dbraw/zinc/30/40/51/268304051.db2.gz LSCPCOOVEFPWFE-XHDPSFHLSA-N 1 2 334.401 0.037 20 30 ECEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@](O)(C(N)=O)C2)C1=O ZINC000286159428 268304055 /nfs/dbraw/zinc/30/40/55/268304055.db2.gz LSCPCOOVEFPWFE-XHDPSFHLSA-N 1 2 334.401 0.037 20 30 ECEDLO N#Cc1ncccc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000277010289 268329489 /nfs/dbraw/zinc/32/94/89/268329489.db2.gz LGEIPQLFWAMGPX-ZDUSSCGKSA-N 1 2 336.417 0.296 20 30 ECEDLO Cc1nc(NCc2cccc(C(=O)NCC(=O)NCC#N)c2)cc[nH+]1 ZINC000343552750 437602881 /nfs/dbraw/zinc/60/28/81/437602881.db2.gz WRJGNPHDACBGJK-UHFFFAOYSA-N 1 2 338.371 0.767 20 30 ECEDLO C[C@@H](CS(C)(=O)=O)[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000069865465 435972578 /nfs/dbraw/zinc/97/25/78/435972578.db2.gz ORTKZMJJQNPYCZ-JSGCOSHPSA-N 1 2 326.418 0.663 20 30 ECEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000069865465 435972583 /nfs/dbraw/zinc/97/25/83/435972583.db2.gz ORTKZMJJQNPYCZ-JSGCOSHPSA-N 1 2 326.418 0.663 20 30 ECEDLO C#CC[NH+](CC#C)CC(=O)N1CCC(C(=O)NCCC(C)C)CC1 ZINC000072906701 436060024 /nfs/dbraw/zinc/06/00/24/436060024.db2.gz FVZLMYHJLALFDX-UHFFFAOYSA-N 1 2 331.460 0.956 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000024249598 436132894 /nfs/dbraw/zinc/13/28/94/436132894.db2.gz JKIIRDLWMBGJQO-HNNXBMFYSA-N 1 2 330.432 0.933 20 30 ECEDLO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029445166 436202895 /nfs/dbraw/zinc/20/28/95/436202895.db2.gz DDNBAYJRDAGWAY-LBPRGKRZSA-N 1 2 330.392 0.309 20 30 ECEDLO CC[C@@H]1C[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCO1 ZINC000029719779 436208029 /nfs/dbraw/zinc/20/80/29/436208029.db2.gz OKRAOSNUMDICEA-CQSZACIVSA-N 1 2 347.419 0.614 20 30 ECEDLO CC[C@@H]1C[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCO1 ZINC000029719779 436208034 /nfs/dbraw/zinc/20/80/34/436208034.db2.gz OKRAOSNUMDICEA-CQSZACIVSA-N 1 2 347.419 0.614 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000076649829 436213721 /nfs/dbraw/zinc/21/37/21/436213721.db2.gz CHMNBXKOTFGJIP-INIZCTEOSA-N 1 2 349.479 0.235 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+]([C@@H](C)C(=O)N(CC)CC(=C)C)CC1 ZINC000042541496 436307085 /nfs/dbraw/zinc/30/70/85/436307085.db2.gz OAJSZJZSSXCDFM-INIZCTEOSA-N 1 2 336.480 0.719 20 30 ECEDLO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000042533694 436307714 /nfs/dbraw/zinc/30/77/14/436307714.db2.gz AYILIKKXIBPEQY-ZDUSSCGKSA-N 1 2 346.412 0.613 20 30 ECEDLO C#CCNS(=O)(=O)c1cccc(C(=O)NCCn2cc[nH+]c2)c1 ZINC000042720676 436314020 /nfs/dbraw/zinc/31/40/20/436314020.db2.gz ABFFCXNRUZRQDE-UHFFFAOYSA-N 1 2 332.385 0.225 20 30 ECEDLO N#CCCN(CCn1cc([N+](=O)[O-])ccc1=O)CC[NH+]1CCOCC1 ZINC000090551535 436433144 /nfs/dbraw/zinc/43/31/44/436433144.db2.gz FWKOVXQGNBPXGD-UHFFFAOYSA-N 1 2 349.391 0.304 20 30 ECEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 ZINC000091866229 436462300 /nfs/dbraw/zinc/46/23/00/436462300.db2.gz RWDILRWYMDUBAT-GXTWGEPZSA-N 1 2 328.372 0.120 20 30 ECEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 ZINC000091866229 436462304 /nfs/dbraw/zinc/46/23/04/436462304.db2.gz RWDILRWYMDUBAT-GXTWGEPZSA-N 1 2 328.372 0.120 20 30 ECEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000047342731 436418043 /nfs/dbraw/zinc/41/80/43/436418043.db2.gz IAPSJYNXRQQIRI-CYBMUJFWSA-N 1 2 330.388 0.345 20 30 ECEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000047342731 436418045 /nfs/dbraw/zinc/41/80/45/436418045.db2.gz IAPSJYNXRQQIRI-CYBMUJFWSA-N 1 2 330.388 0.345 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(CC)nc3ncnn32)CC1 ZINC000051500747 436490611 /nfs/dbraw/zinc/49/06/11/436490611.db2.gz ZJIGEOVTKNWHHK-UHFFFAOYSA-N 1 2 329.408 0.111 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000104065864 436557783 /nfs/dbraw/zinc/55/77/83/436557783.db2.gz IGHZLRXYFCEEKL-AWEZNQCLSA-N 1 2 330.454 0.041 20 30 ECEDLO N#C[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CCO1 ZINC000106331981 436591618 /nfs/dbraw/zinc/59/16/18/436591618.db2.gz GNJLLEUNURSOJR-SJORKVTESA-N 1 2 344.415 0.994 20 30 ECEDLO CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060481214 436633560 /nfs/dbraw/zinc/63/35/60/436633560.db2.gz UOHNHSHFPFEAFQ-CYBMUJFWSA-N 1 2 344.419 0.698 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000112913932 436634476 /nfs/dbraw/zinc/63/44/76/436634476.db2.gz ABJQALCSFTYJNA-GOSISDBHSA-N 1 2 334.508 0.720 20 30 ECEDLO Cn1ccnc(N2CCN(Cc3c[nH+]c4ccc(C#N)cn34)CC2)c1=O ZINC000536662575 302144934 /nfs/dbraw/zinc/14/49/34/302144934.db2.gz JIRMLJCJVFYZFX-UHFFFAOYSA-N 1 2 349.398 0.622 20 30 ECEDLO Cn1ccnc(N2CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)c1=O ZINC000536662575 302144937 /nfs/dbraw/zinc/14/49/37/302144937.db2.gz JIRMLJCJVFYZFX-UHFFFAOYSA-N 1 2 349.398 0.622 20 30 ECEDLO N#Cc1cccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000063854119 436646530 /nfs/dbraw/zinc/64/65/30/436646530.db2.gz SDGJTLFNHYKZLQ-HNNXBMFYSA-N 1 2 342.399 0.677 20 30 ECEDLO COCCO[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000548684076 302320173 /nfs/dbraw/zinc/32/01/73/302320173.db2.gz OQYQWLQNZZYGKP-HZPDHXFCSA-N 1 2 343.383 0.927 20 30 ECEDLO COCCO[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000548684076 302320175 /nfs/dbraw/zinc/32/01/75/302320175.db2.gz OQYQWLQNZZYGKP-HZPDHXFCSA-N 1 2 343.383 0.927 20 30 ECEDLO C=CC[C@H](C)NC(=O)N1CC[NH+]([C@@H](C)C(=O)NCCCOC)CC1 ZINC000116971972 436656357 /nfs/dbraw/zinc/65/63/57/436656357.db2.gz ABXPFDNKXCNNRX-GJZGRUSLSA-N 1 2 340.468 0.819 20 30 ECEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CCN(c2cnccn2)CC1 ZINC000193958909 436656562 /nfs/dbraw/zinc/65/65/62/436656562.db2.gz MOZDAKFJDVRTAY-UHFFFAOYSA-N 1 2 327.392 0.255 20 30 ECEDLO C#CC[N@@H+](C[C@@H](O)COCc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000120460454 436687504 /nfs/dbraw/zinc/68/75/04/436687504.db2.gz ZZPQABCCZWHMHM-ZIAGYGMSSA-N 1 2 327.402 0.279 20 30 ECEDLO C#CC[N@H+](C[C@@H](O)COCc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000120460454 436687508 /nfs/dbraw/zinc/68/75/08/436687508.db2.gz ZZPQABCCZWHMHM-ZIAGYGMSSA-N 1 2 327.402 0.279 20 30 ECEDLO C#CC[N@@H+](C[C@H](O)COCc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000120460289 436687536 /nfs/dbraw/zinc/68/75/36/436687536.db2.gz ZZPQABCCZWHMHM-KGLIPLIRSA-N 1 2 327.402 0.279 20 30 ECEDLO C#CC[N@H+](C[C@H](O)COCc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000120460289 436687540 /nfs/dbraw/zinc/68/75/40/436687540.db2.gz ZZPQABCCZWHMHM-KGLIPLIRSA-N 1 2 327.402 0.279 20 30 ECEDLO C[C@H](C(=O)N1CCOCC1)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000068832695 436757171 /nfs/dbraw/zinc/75/71/71/436757171.db2.gz HHEDBBRSIUMQLH-MRXNPFEDSA-N 1 2 342.443 0.923 20 30 ECEDLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2cccc(C#N)c2)CC1 ZINC000068832695 436757174 /nfs/dbraw/zinc/75/71/74/436757174.db2.gz HHEDBBRSIUMQLH-MRXNPFEDSA-N 1 2 342.443 0.923 20 30 ECEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CC(=O)N2CCNC2=O)CC1 ZINC000121471649 436718310 /nfs/dbraw/zinc/71/83/10/436718310.db2.gz KLDHXRWGLZJZSQ-OAHLLOKOSA-N 1 2 327.388 0.421 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCC[C@]2(C)C(N)=O)CC1 ZINC000248642569 436808350 /nfs/dbraw/zinc/80/83/50/436808350.db2.gz ZRHJTZJGGDYDAE-MAUKXSAKSA-N 1 2 349.479 0.409 20 30 ECEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCCC[C@]2(C)C(N)=O)CC1 ZINC000248642569 436808352 /nfs/dbraw/zinc/80/83/52/436808352.db2.gz ZRHJTZJGGDYDAE-MAUKXSAKSA-N 1 2 349.479 0.409 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H](CC(N)=O)C2)c1 ZINC000156815796 436820364 /nfs/dbraw/zinc/82/03/64/436820364.db2.gz QJJHAEKIOPNGAI-CQSZACIVSA-N 1 2 335.429 0.919 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](CC(N)=O)C2)c1 ZINC000156815796 436820368 /nfs/dbraw/zinc/82/03/68/436820368.db2.gz QJJHAEKIOPNGAI-CQSZACIVSA-N 1 2 335.429 0.919 20 30 ECEDLO C[C@@](C#N)(NC(=O)CN1CCCC[C@H]1C[NH+]1CCOCC1)C1CC1 ZINC000245814752 436768447 /nfs/dbraw/zinc/76/84/47/436768447.db2.gz REZLKHFTGNTGJZ-WMZOPIPTSA-N 1 2 334.464 0.982 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(S(C)(=O)=O)cc2C)CC1 ZINC000154901367 436786949 /nfs/dbraw/zinc/78/69/49/436786949.db2.gz MZWCKLUMQZUAID-UHFFFAOYSA-N 1 2 349.456 0.588 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000130749142 436842709 /nfs/dbraw/zinc/84/27/09/436842709.db2.gz BNHWMDNKKOJPSM-CQSZACIVSA-N 1 2 337.807 0.977 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2c[nH]nc2C(C)(C)C)CC1 ZINC000293109128 436848752 /nfs/dbraw/zinc/84/87/52/436848752.db2.gz PHYJOKKLRSBGNS-UHFFFAOYSA-N 1 2 345.447 0.605 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c[nH]nc2C(C)(C)C)CC1 ZINC000293109128 436848755 /nfs/dbraw/zinc/84/87/55/436848755.db2.gz PHYJOKKLRSBGNS-UHFFFAOYSA-N 1 2 345.447 0.605 20 30 ECEDLO N#Cc1cc(F)ccc1CN1CC[NH+](CCS(N)(=O)=O)CC1 ZINC000132108928 436859691 /nfs/dbraw/zinc/85/96/91/436859691.db2.gz QPMDVDSMYAGYMS-UHFFFAOYSA-N 1 2 326.397 0.103 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cn2cccnc2n1 ZINC000161682184 436896220 /nfs/dbraw/zinc/89/62/20/436896220.db2.gz KBRLVAHSJFXUDA-UHFFFAOYSA-N 1 2 328.376 0.417 20 30 ECEDLO C#CCCOc1ccc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000294877764 436962450 /nfs/dbraw/zinc/96/24/50/436962450.db2.gz IABVLXPADHVBKM-KRWDZBQOSA-N 1 2 346.427 0.854 20 30 ECEDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000275523731 436979207 /nfs/dbraw/zinc/97/92/07/436979207.db2.gz JIVBIKYSTBFEGQ-GOEBONIOSA-N 1 2 331.372 0.885 20 30 ECEDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000275523731 436979210 /nfs/dbraw/zinc/97/92/10/436979210.db2.gz JIVBIKYSTBFEGQ-GOEBONIOSA-N 1 2 331.372 0.885 20 30 ECEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CCOc1ccc(C#N)cc1OC ZINC000275527611 436979632 /nfs/dbraw/zinc/97/96/32/436979632.db2.gz JYEZMFIZEHVIGB-BBRMVZONSA-N 1 2 334.372 0.944 20 30 ECEDLO COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000275527611 436979633 /nfs/dbraw/zinc/97/96/33/436979633.db2.gz JYEZMFIZEHVIGB-BBRMVZONSA-N 1 2 334.372 0.944 20 30 ECEDLO COCC[NH+]1CCN(C(=O)C(=O)N(C)Cc2ccc(C#N)cc2)CC1 ZINC000297913429 437020355 /nfs/dbraw/zinc/02/03/55/437020355.db2.gz SUNKLZWOAXEHLR-UHFFFAOYSA-N 1 2 344.415 0.307 20 30 ECEDLO COCC[NH+]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC1 ZINC000296066064 436983089 /nfs/dbraw/zinc/98/30/89/436983089.db2.gz UZFXJNWQEGNPSF-UHFFFAOYSA-N 1 2 341.408 0.791 20 30 ECEDLO C=CCNS(=O)(=O)c1cccc(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000171757945 436988519 /nfs/dbraw/zinc/98/85/19/436988519.db2.gz XEPPIEHFAGGAOU-UHFFFAOYSA-N 1 2 334.401 0.847 20 30 ECEDLO CCOC(=O)CN(C)C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000264686031 437064444 /nfs/dbraw/zinc/06/44/44/437064444.db2.gz FKCHRWCXEHXAED-UHFFFAOYSA-N 1 2 345.403 0.097 20 30 ECEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)C[C@H]21 ZINC000285340675 437078172 /nfs/dbraw/zinc/07/81/72/437078172.db2.gz SSBLREMKPWTDTC-CABCVRRESA-N 1 2 346.362 0.567 20 30 ECEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)C[C@H]21 ZINC000285340675 437078174 /nfs/dbraw/zinc/07/81/74/437078174.db2.gz SSBLREMKPWTDTC-CABCVRRESA-N 1 2 346.362 0.567 20 30 ECEDLO Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1C#N ZINC000285383248 437077104 /nfs/dbraw/zinc/07/71/04/437077104.db2.gz VORLTGBTGSUOTA-HOTGVXAUSA-N 1 2 342.399 0.737 20 30 ECEDLO Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c1C#N ZINC000285383248 437077109 /nfs/dbraw/zinc/07/71/09/437077109.db2.gz VORLTGBTGSUOTA-HOTGVXAUSA-N 1 2 342.399 0.737 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C(C)C)n(C)n2)CC1 ZINC000174194175 437077287 /nfs/dbraw/zinc/07/72/87/437077287.db2.gz ZJXWJEWSDPTOIH-UHFFFAOYSA-N 1 2 345.447 0.441 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C(C)C)n(C)n2)CC1 ZINC000174194175 437077293 /nfs/dbraw/zinc/07/72/93/437077293.db2.gz ZJXWJEWSDPTOIH-UHFFFAOYSA-N 1 2 345.447 0.441 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cnn2cccnc12 ZINC000299544189 437086504 /nfs/dbraw/zinc/08/65/04/437086504.db2.gz QYKOIIDWDKXXBD-UHFFFAOYSA-N 1 2 328.376 0.417 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc(NC(N)=O)c1 ZINC000299513958 437085800 /nfs/dbraw/zinc/08/58/00/437085800.db2.gz JLNKWFGEHMYBFO-UHFFFAOYSA-N 1 2 345.403 0.865 20 30 ECEDLO N#C[C@@H]1C[N@@H+](CCCS(N)(=O)=O)C[C@@]12c1ccccc1NC2=O ZINC000338248103 303162063 /nfs/dbraw/zinc/16/20/63/303162063.db2.gz CJYXYIDXXHHKOI-ABAIWWIYSA-N 1 2 334.401 0.010 20 30 ECEDLO N#C[C@@H]1C[N@H+](CCCS(N)(=O)=O)C[C@@]12c1ccccc1NC2=O ZINC000338248103 303162065 /nfs/dbraw/zinc/16/20/65/303162065.db2.gz CJYXYIDXXHHKOI-ABAIWWIYSA-N 1 2 334.401 0.010 20 30 ECEDLO N#CC1(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCCC1 ZINC000331421914 437093233 /nfs/dbraw/zinc/09/32/33/437093233.db2.gz IEUWGHCKASGKNV-UHFFFAOYSA-N 1 2 328.420 0.799 20 30 ECEDLO C=CCSCCNC(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000286563924 437102084 /nfs/dbraw/zinc/10/20/84/437102084.db2.gz SOHBMWPENWCMKD-UHFFFAOYSA-N 1 2 343.493 0.591 20 30 ECEDLO CN(C)C(=O)C[N@@H+]1CCCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000305091255 437159650 /nfs/dbraw/zinc/15/96/50/437159650.db2.gz XJUNXGMHQWKCLM-QGZVFWFLSA-N 1 2 330.432 0.688 20 30 ECEDLO CN(C)C(=O)C[N@H+]1CCCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000305091255 437159652 /nfs/dbraw/zinc/15/96/52/437159652.db2.gz XJUNXGMHQWKCLM-QGZVFWFLSA-N 1 2 330.432 0.688 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(c2nnc(CC)c(CC)n2)CC1 ZINC000277290811 437206702 /nfs/dbraw/zinc/20/67/02/437206702.db2.gz UUMOSHGFKFQDBE-UHFFFAOYSA-N 1 2 330.436 0.258 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2nnc(CC)c(CC)n2)CC1 ZINC000277290811 437206706 /nfs/dbraw/zinc/20/67/06/437206706.db2.gz UUMOSHGFKFQDBE-UHFFFAOYSA-N 1 2 330.436 0.258 20 30 ECEDLO O=C(N[C@@H]1CCCC[C@H]1O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000328810992 437266709 /nfs/dbraw/zinc/26/67/09/437266709.db2.gz MQQIAEVWWPFPBM-RRFJBIMHSA-N 1 2 339.436 0.427 20 30 ECEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178721736 437225060 /nfs/dbraw/zinc/22/50/60/437225060.db2.gz JQQSFZPXSKIYNV-MRXNPFEDSA-N 1 2 344.463 0.462 20 30 ECEDLO N#Cc1csc(-c2nc(CC(=O)NCC[NH+]3CCOCC3)no2)c1 ZINC000277724135 437248676 /nfs/dbraw/zinc/24/86/76/437248676.db2.gz CGRNSPBPSPKFAT-UHFFFAOYSA-N 1 2 347.400 0.661 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000336886002 437306604 /nfs/dbraw/zinc/30/66/04/437306604.db2.gz FZUKNHLCQWNGNP-UHFFFAOYSA-N 1 2 326.422 0.878 20 30 ECEDLO C#CCC(CC#C)C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000278350743 437306611 /nfs/dbraw/zinc/30/66/11/437306611.db2.gz KUUQDEFMOOZKPW-INIZCTEOSA-N 1 2 329.444 0.804 20 30 ECEDLO O=C(Cn1cccnc1=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000329056497 437309309 /nfs/dbraw/zinc/30/93/09/437309309.db2.gz MJDCKOCLXGKECA-OAHLLOKOSA-N 1 2 338.433 0.408 20 30 ECEDLO Cc1ccc2[nH+]c(CNS(=O)(=O)N3CCO[C@H](C#N)C3)cn2c1 ZINC000336927813 437312205 /nfs/dbraw/zinc/31/22/05/437312205.db2.gz XARQWCVDKSLTII-CYBMUJFWSA-N 1 2 335.389 0.202 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000267335936 437320771 /nfs/dbraw/zinc/32/07/71/437320771.db2.gz CMOAVKXBNKLZDE-AWEZNQCLSA-N 1 2 331.420 0.616 20 30 ECEDLO C[N@@H+](CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@H]1CCCCO1 ZINC000328963683 437294111 /nfs/dbraw/zinc/29/41/11/437294111.db2.gz LNOIGLYFUZLZKV-VXGBXAGGSA-N 1 2 347.437 0.545 20 30 ECEDLO C[N@H+](CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@H]1CCCCO1 ZINC000328963683 437294119 /nfs/dbraw/zinc/29/41/19/437294119.db2.gz LNOIGLYFUZLZKV-VXGBXAGGSA-N 1 2 347.437 0.545 20 30 ECEDLO N#Cc1cc(S(=O)(=O)N2CC[NH+](CCCO)CC2)ccc1F ZINC000182445829 437350973 /nfs/dbraw/zinc/35/09/73/437350973.db2.gz JJSVHEZRPXOIEH-UHFFFAOYSA-N 1 2 327.381 0.386 20 30 ECEDLO N#Cc1cc(S(=O)(=O)N2CC[NH+](CCCO)CC2)ccc1Cl ZINC000182446039 437351470 /nfs/dbraw/zinc/35/14/70/437351470.db2.gz DQMASDCCZMWPAH-UHFFFAOYSA-N 1 2 343.836 0.900 20 30 ECEDLO CN(C(=O)CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)C1CCCCC1 ZINC000329423692 437367635 /nfs/dbraw/zinc/36/76/35/437367635.db2.gz HWXGLYUTQQEKQO-OAHLLOKOSA-N 1 2 339.484 0.527 20 30 ECEDLO CN(C(=O)CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)C1CCCCC1 ZINC000329423692 437367638 /nfs/dbraw/zinc/36/76/38/437367638.db2.gz HWXGLYUTQQEKQO-OAHLLOKOSA-N 1 2 339.484 0.527 20 30 ECEDLO COc1ccccc1[C@@H]1CN(C(=O)[C@H](C)n2cnc(C#N)n2)CC[NH2+]1 ZINC000337611178 437368687 /nfs/dbraw/zinc/36/86/87/437368687.db2.gz YONKLVUPYRGNJL-JSGCOSHPSA-N 1 2 340.387 0.892 20 30 ECEDLO Cc1cc(NC(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc[nH+]1 ZINC000329216896 437334681 /nfs/dbraw/zinc/33/46/81/437334681.db2.gz PGAWDRVWHYSZQD-HIFRSBDPSA-N 1 2 339.417 0.874 20 30 ECEDLO C[C@@H](C#N)CN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000338306752 437404488 /nfs/dbraw/zinc/40/44/88/437404488.db2.gz WLLRFJFSADFIOF-LSDHHAIUSA-N 1 2 348.447 0.318 20 30 ECEDLO O=S1(=O)CCCC[C@@H]1CNC([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329740964 437406546 /nfs/dbraw/zinc/40/65/46/437406546.db2.gz VRBNAGBWNPIJSO-WDEREUQCSA-N 1 2 326.422 0.738 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000279485769 437415504 /nfs/dbraw/zinc/41/55/04/437415504.db2.gz OHJMWZZKGHVYCC-CYBMUJFWSA-N 1 2 330.388 0.676 20 30 ECEDLO CCN1CCN(CC(=O)NCC(=O)N2CCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329901472 437428931 /nfs/dbraw/zinc/42/89/31/437428931.db2.gz GYPDSCQNBYYXHF-CQSZACIVSA-N 1 2 348.451 0.667 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3CCCN(c4ncccn4)C3)C[C@@H]21 ZINC000329608861 437391973 /nfs/dbraw/zinc/39/19/73/437391973.db2.gz NEZBVQYFWGLPQE-SOUVJXGZSA-N 1 2 346.435 0.374 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3CCCN(c4ncccn4)C3)C[C@@H]21 ZINC000329608861 437391978 /nfs/dbraw/zinc/39/19/78/437391978.db2.gz NEZBVQYFWGLPQE-SOUVJXGZSA-N 1 2 346.435 0.374 20 30 ECEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2nc(=O)n(C)[nH]2)CC1 ZINC000329623168 437392718 /nfs/dbraw/zinc/39/27/18/437392718.db2.gz UUPUQBMELMXHCE-LBPRGKRZSA-N 1 2 336.440 0.514 20 30 ECEDLO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)NC[C@H]1Cc2ccccc2O1 ZINC000329653097 437396147 /nfs/dbraw/zinc/39/61/47/437396147.db2.gz DPVCEGFWWVRTHF-JKSUJKDBSA-N 1 2 331.416 0.963 20 30 ECEDLO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)NC[C@H]1Cc2ccccc2O1 ZINC000329653097 437396152 /nfs/dbraw/zinc/39/61/52/437396152.db2.gz DPVCEGFWWVRTHF-JKSUJKDBSA-N 1 2 331.416 0.963 20 30 ECEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186506971 437474712 /nfs/dbraw/zinc/47/47/12/437474712.db2.gz GIIDTQBKWZQKLL-GJZGRUSLSA-N 1 2 341.371 0.110 20 30 ECEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186506971 437474715 /nfs/dbraw/zinc/47/47/15/437474715.db2.gz GIIDTQBKWZQKLL-GJZGRUSLSA-N 1 2 341.371 0.110 20 30 ECEDLO COc1ccc(C(N)=[NH+]OCC(=O)N2CCC[C@@H](NC(C)=O)C2)cc1 ZINC000268683175 437433071 /nfs/dbraw/zinc/43/30/71/437433071.db2.gz XMUMVVYLCJSACB-CQSZACIVSA-N 1 2 348.403 0.459 20 30 ECEDLO COc1ncncc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000268664215 437433330 /nfs/dbraw/zinc/43/33/30/437433330.db2.gz VIPVLIIGGLJUIV-UHFFFAOYSA-N 1 2 334.380 0.565 20 30 ECEDLO C=CCn1c(=O)n(CC=C)c(=O)n(Cc2ccc(C)[nH+]c2C)c1=O ZINC000185290799 437433697 /nfs/dbraw/zinc/43/36/97/437433697.db2.gz NHGQFYNUBQIMNT-UHFFFAOYSA-N 1 2 328.372 0.604 20 30 ECEDLO CCN1CCN(C(=O)NCCN2C(=O)CCC2=O)C[C@H]1c1[nH]cc[nH+]1 ZINC000329965038 437438262 /nfs/dbraw/zinc/43/82/62/437438262.db2.gz QWRSIXARYJSWQX-LBPRGKRZSA-N 1 2 348.407 0.151 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCOC[C@H]1CCCO1 ZINC000343040136 437487255 /nfs/dbraw/zinc/48/72/55/437487255.db2.gz OCHPAZUWTSGXLW-MRXNPFEDSA-N 1 2 339.436 0.647 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000339151183 437445211 /nfs/dbraw/zinc/44/52/11/437445211.db2.gz HAWITYAAGPQKRV-KGLIPLIRSA-N 1 2 329.466 0.751 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000339151183 437445214 /nfs/dbraw/zinc/44/52/14/437445214.db2.gz HAWITYAAGPQKRV-KGLIPLIRSA-N 1 2 329.466 0.751 20 30 ECEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CC(=O)N(CC(F)(F)F)C1 ZINC000330130913 437458188 /nfs/dbraw/zinc/45/81/88/437458188.db2.gz KSSCYYAIAYJHOA-VIFPVBQESA-N 1 2 331.298 0.776 20 30 ECEDLO C[C@@H](NC(=O)N(C)CC[NH+]1CCOCC1)c1nnc2n1CCCC2 ZINC000330129647 437459209 /nfs/dbraw/zinc/45/92/09/437459209.db2.gz KCMJNPVCOWMAPI-CYBMUJFWSA-N 1 2 336.440 0.853 20 30 ECEDLO C=C[C@](C)(CCOC)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000187236932 437494931 /nfs/dbraw/zinc/49/49/31/437494931.db2.gz IXRYROSCVYTCMB-GOSISDBHSA-N 1 2 347.463 0.944 20 30 ECEDLO CC[C@@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)CC[N@@H+]1CCOC ZINC000330416461 437505382 /nfs/dbraw/zinc/50/53/82/437505382.db2.gz OLNFNIZCBUMJJN-ZIAGYGMSSA-N 1 2 332.470 0.508 20 30 ECEDLO CC[C@@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)CC[N@H+]1CCOC ZINC000330416461 437505385 /nfs/dbraw/zinc/50/53/85/437505385.db2.gz OLNFNIZCBUMJJN-ZIAGYGMSSA-N 1 2 332.470 0.508 20 30 ECEDLO CC(C)[C@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)[NH+]1CCN(C)CC1 ZINC000330423350 437506773 /nfs/dbraw/zinc/50/67/73/437506773.db2.gz SZGIVEBPTHWAEH-CABCVRRESA-N 1 2 345.513 0.327 20 30 ECEDLO N#C[C@@H]1CCC[C@H]1NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000360050193 437509908 /nfs/dbraw/zinc/50/99/08/437509908.db2.gz JSGGGQLDOXLFGZ-LSDHHAIUSA-N 1 2 343.435 0.590 20 30 ECEDLO CC(C)(CNC(=O)N1CCC[C@@H](CNC(N)=O)C1)[NH+]1CCOCC1 ZINC000330482076 437527559 /nfs/dbraw/zinc/52/75/59/437527559.db2.gz VZPYSPQVULHRGR-ZDUSSCGKSA-N 1 2 341.456 0.806 20 30 ECEDLO COC(=O)C1(O)CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000330612965 437568797 /nfs/dbraw/zinc/56/87/97/437568797.db2.gz YJAIKPJXWKZXJY-IUODEOHRSA-N 1 2 325.409 0.429 20 30 ECEDLO CNC(=O)C1CCC(NC(=O)N(C)CC[NH+]2CCOCC2)CC1 ZINC000330635521 437575687 /nfs/dbraw/zinc/57/56/87/437575687.db2.gz MOWBRNLYDCJBGN-UHFFFAOYSA-N 1 2 326.441 0.469 20 30 ECEDLO C#CCN(CC#C)C(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000190432118 437625959 /nfs/dbraw/zinc/62/59/59/437625959.db2.gz LYILLEBPMJXVEO-UHFFFAOYSA-N 1 2 339.395 0.552 20 30 ECEDLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC[N@@H+]1CCO ZINC000354495783 437629381 /nfs/dbraw/zinc/62/93/81/437629381.db2.gz GUPUEZYUJQVOBE-NSHDSACASA-N 1 2 334.351 0.161 20 30 ECEDLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC[N@H+]1CCO ZINC000354495783 437629386 /nfs/dbraw/zinc/62/93/86/437629386.db2.gz GUPUEZYUJQVOBE-NSHDSACASA-N 1 2 334.351 0.161 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000330854024 437633570 /nfs/dbraw/zinc/63/35/70/437633570.db2.gz HAGVTMRVGYWFHJ-IPYPFGDCSA-N 1 2 329.466 0.796 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000330854024 437633575 /nfs/dbraw/zinc/63/35/75/437633575.db2.gz HAGVTMRVGYWFHJ-IPYPFGDCSA-N 1 2 329.466 0.796 20 30 ECEDLO CN(C)c1nc(N)nc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292118370 437659869 /nfs/dbraw/zinc/65/98/69/437659869.db2.gz HTCDAFAMHVBYRB-GFCCVEGCSA-N 1 2 340.391 0.440 20 30 ECEDLO CN(C)c1nc(N)nc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292118370 437659876 /nfs/dbraw/zinc/65/98/76/437659876.db2.gz HTCDAFAMHVBYRB-GFCCVEGCSA-N 1 2 340.391 0.440 20 30 ECEDLO CC(C)CNC(=O)NC(=O)CN1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000330963328 437660148 /nfs/dbraw/zinc/66/01/48/437660148.db2.gz CPJFACTXAZBJEG-ZDUSSCGKSA-N 1 2 336.440 0.395 20 30 ECEDLO C#CCCCC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000192132552 437667808 /nfs/dbraw/zinc/66/78/08/437667808.db2.gz FAWUZRHWFIMVBW-UHFFFAOYSA-N 1 2 343.431 0.765 20 30 ECEDLO C#CCCCC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000192132552 437667814 /nfs/dbraw/zinc/66/78/14/437667814.db2.gz FAWUZRHWFIMVBW-UHFFFAOYSA-N 1 2 343.431 0.765 20 30 ECEDLO CC#CCCNC(=O)N1CC[NH+]([C@@H](C)C(=O)NCCCOC)CC1 ZINC000361646646 437678962 /nfs/dbraw/zinc/67/89/62/437678962.db2.gz HTFMTDOWISNTJX-HNNXBMFYSA-N 1 2 338.452 0.268 20 30 ECEDLO C=CCN(CCOC)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000361979944 437709498 /nfs/dbraw/zinc/70/94/98/437709498.db2.gz DVNVYLSSSTWTPC-UHFFFAOYSA-N 1 2 337.424 0.882 20 30 ECEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000331189384 437709793 /nfs/dbraw/zinc/70/97/93/437709793.db2.gz VECXZRHSVWAAMJ-TZMCWYRMSA-N 1 2 330.454 0.054 20 30 ECEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000331189384 437709796 /nfs/dbraw/zinc/70/97/96/437709796.db2.gz VECXZRHSVWAAMJ-TZMCWYRMSA-N 1 2 330.454 0.054 20 30 ECEDLO N#C[C@H]1CSCCN1C(=O)c1cnn(CC[NH+]2CCOCC2)c1 ZINC000370364217 437771154 /nfs/dbraw/zinc/77/11/54/437771154.db2.gz DKUSJVDZFBGTOG-AWEZNQCLSA-N 1 2 335.433 0.296 20 30 ECEDLO C=CCCOCCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000362177235 437722045 /nfs/dbraw/zinc/72/20/45/437722045.db2.gz IEJLBVVDGNOBBI-KRWDZBQOSA-N 1 2 341.452 0.760 20 30 ECEDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@]2(C)CCOC2)CCO1 ZINC000331255728 437727718 /nfs/dbraw/zinc/72/77/18/437727718.db2.gz YTOBICCSOCXMPQ-DOMZBBRYSA-N 1 2 328.413 0.495 20 30 ECEDLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@]2(C)CCOC2)CCO1 ZINC000331255728 437727721 /nfs/dbraw/zinc/72/77/21/437727721.db2.gz YTOBICCSOCXMPQ-DOMZBBRYSA-N 1 2 328.413 0.495 20 30 ECEDLO C=C[C@H](C)NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000362378122 437733458 /nfs/dbraw/zinc/73/34/58/437733458.db2.gz BSRZYWJSBHYQSL-AWEZNQCLSA-N 1 2 346.435 0.719 20 30 ECEDLO C=C[C@H](C)NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000362378122 437733463 /nfs/dbraw/zinc/73/34/63/437733463.db2.gz BSRZYWJSBHYQSL-AWEZNQCLSA-N 1 2 346.435 0.719 20 30 ECEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)NCC(=O)NCC#N ZINC000344248184 437750413 /nfs/dbraw/zinc/75/04/13/437750413.db2.gz CQPDTQAXLDZYGP-UHFFFAOYSA-N 1 2 328.376 0.674 20 30 ECEDLO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)c(SC)[nH]c2=O)C1 ZINC000341277215 437825325 /nfs/dbraw/zinc/82/53/25/437825325.db2.gz FIYPKJDNSWTUER-LLVKDONJSA-N 1 2 336.417 0.831 20 30 ECEDLO COCC[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)c(SC)[nH]c2=O)C1 ZINC000341277215 437825331 /nfs/dbraw/zinc/82/53/31/437825331.db2.gz FIYPKJDNSWTUER-LLVKDONJSA-N 1 2 336.417 0.831 20 30 ECEDLO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000363619327 437799692 /nfs/dbraw/zinc/79/96/92/437799692.db2.gz CUWPZYGPVNMYGX-UHFFFAOYSA-N 1 2 341.419 1.381 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCSC[C@@H]1CC(=O)OC ZINC000356657648 437807243 /nfs/dbraw/zinc/80/72/43/437807243.db2.gz AVRFBZOYNUFNIS-MNOVXSKESA-N 1 2 329.422 0.367 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCSC[C@@H]1CC(=O)OC ZINC000356657648 437807245 /nfs/dbraw/zinc/80/72/45/437807245.db2.gz AVRFBZOYNUFNIS-MNOVXSKESA-N 1 2 329.422 0.367 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000341487877 437850476 /nfs/dbraw/zinc/85/04/76/437850476.db2.gz YDXOLROWBPJPCF-BPUTZDHNSA-N 1 2 334.372 0.560 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000341487877 437850483 /nfs/dbraw/zinc/85/04/83/437850483.db2.gz YDXOLROWBPJPCF-BPUTZDHNSA-N 1 2 334.372 0.560 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000365256941 437883029 /nfs/dbraw/zinc/88/30/29/437883029.db2.gz ALYHDBOIAIXJQU-OAHLLOKOSA-N 1 2 345.399 0.925 20 30 ECEDLO COc1cc(C#N)ccc1OCC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000365256941 437883031 /nfs/dbraw/zinc/88/30/31/437883031.db2.gz ALYHDBOIAIXJQU-OAHLLOKOSA-N 1 2 345.399 0.925 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000416640191 437977894 /nfs/dbraw/zinc/97/78/94/437977894.db2.gz DPCQYAHTULHSSD-AWEZNQCLSA-N 1 2 346.497 0.755 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+](CCCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000347957573 437987284 /nfs/dbraw/zinc/98/72/84/437987284.db2.gz FMIFOVGCQVYDMF-CQSZACIVSA-N 1 2 345.465 0.274 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+](CCCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000347957573 437987287 /nfs/dbraw/zinc/98/72/87/437987287.db2.gz FMIFOVGCQVYDMF-CQSZACIVSA-N 1 2 345.465 0.274 20 30 ECEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N[C@H](CO)C[NH+]2CCOCC2)cc1 ZINC000425298527 438020510 /nfs/dbraw/zinc/02/05/10/438020510.db2.gz WYWBEYHRXOMPRZ-IRXDYDNUSA-N 1 2 342.399 0.050 20 30 ECEDLO C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000425393737 438026085 /nfs/dbraw/zinc/02/60/85/438026085.db2.gz DRWJWASJTOPBMX-OAHLLOKOSA-N 1 2 328.416 0.949 20 30 ECEDLO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000418118001 438107160 /nfs/dbraw/zinc/10/71/60/438107160.db2.gz DAZICTSIRPIXDR-AWEZNQCLSA-N 1 2 331.372 0.820 20 30 ECEDLO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000418118001 438107166 /nfs/dbraw/zinc/10/71/66/438107166.db2.gz DAZICTSIRPIXDR-AWEZNQCLSA-N 1 2 331.372 0.820 20 30 ECEDLO Cc1nn(C)c(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)c1C#N ZINC000349849709 438182785 /nfs/dbraw/zinc/18/27/85/438182785.db2.gz CTHOHIPQLZHZAV-UHFFFAOYSA-N 1 2 344.379 0.527 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000374826681 438233207 /nfs/dbraw/zinc/23/32/07/438233207.db2.gz GAEOYHPCIJKLCP-UHFFFAOYSA-N 1 2 343.493 0.911 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000374826681 438233211 /nfs/dbraw/zinc/23/32/11/438233211.db2.gz GAEOYHPCIJKLCP-UHFFFAOYSA-N 1 2 343.493 0.911 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000374453967 438210607 /nfs/dbraw/zinc/21/06/07/438210607.db2.gz TTZLKOZHFJOOOV-MGPQQGTHSA-N 1 2 330.454 0.166 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000374453967 438210609 /nfs/dbraw/zinc/21/06/09/438210609.db2.gz TTZLKOZHFJOOOV-MGPQQGTHSA-N 1 2 330.454 0.166 20 30 ECEDLO C=C(CC)C[NH+]1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000358623232 438267411 /nfs/dbraw/zinc/26/74/11/438267411.db2.gz HLMCPEKJOAOWAI-HUUCEWRRSA-N 1 2 331.482 0.924 20 30 ECEDLO CCc1nc(C[NH+]2C[C@@H]3CN(c4cnc(C#N)cn4)C[C@H]3C2)no1 ZINC000375972634 438269118 /nfs/dbraw/zinc/26/91/18/438269118.db2.gz DNLXVNREJVJCTK-VXGBXAGGSA-N 1 2 325.376 0.862 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000434013494 438276796 /nfs/dbraw/zinc/27/67/96/438276796.db2.gz UNJNBMMAKGSYJY-UHFFFAOYSA-N 1 2 328.376 0.678 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000351065836 438251058 /nfs/dbraw/zinc/25/10/58/438251058.db2.gz RMLDYECIYALDFK-PVAVHDDUSA-N 1 2 348.399 0.950 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000351065836 438251063 /nfs/dbraw/zinc/25/10/63/438251063.db2.gz RMLDYECIYALDFK-PVAVHDDUSA-N 1 2 348.399 0.950 20 30 ECEDLO C#CCn1ccc(CN(CC)C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)n1 ZINC000368373412 438323125 /nfs/dbraw/zinc/32/31/25/438323125.db2.gz FUFMLOWMOLMANV-KRWDZBQOSA-N 1 2 345.447 0.911 20 30 ECEDLO C#CCn1ccc(CN(CC)C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)n1 ZINC000368373412 438323130 /nfs/dbraw/zinc/32/31/30/438323130.db2.gz FUFMLOWMOLMANV-KRWDZBQOSA-N 1 2 345.447 0.911 20 30 ECEDLO Cn1cc(N2CCC[C@H](N3CC[NH+](CCCC#N)CC3)C2=O)cn1 ZINC000377385181 438309720 /nfs/dbraw/zinc/30/97/20/438309720.db2.gz BVTCNAPKZMHKRX-INIZCTEOSA-N 1 2 330.436 0.837 20 30 ECEDLO C=CC1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000377603733 438312600 /nfs/dbraw/zinc/31/26/00/438312600.db2.gz CNCIIJHMHIRVJJ-INIZCTEOSA-N 1 2 335.448 0.592 20 30 ECEDLO C[C@@H](C#N)CN(C)S(=O)(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000369126175 438428381 /nfs/dbraw/zinc/42/83/81/438428381.db2.gz KCZSDMTVSQXVCZ-ZDUSSCGKSA-N 1 2 337.449 0.976 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000352544247 438438409 /nfs/dbraw/zinc/43/84/09/438438409.db2.gz PGUVKNNEOBBWGY-HIFRSBDPSA-N 1 2 344.481 0.397 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000352544247 438438415 /nfs/dbraw/zinc/43/84/15/438438415.db2.gz PGUVKNNEOBBWGY-HIFRSBDPSA-N 1 2 344.481 0.397 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000368900145 438396557 /nfs/dbraw/zinc/39/65/57/438396557.db2.gz DEVFCPCEOXSMHC-HNNXBMFYSA-N 1 2 336.436 0.462 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000368900145 438396561 /nfs/dbraw/zinc/39/65/61/438396561.db2.gz DEVFCPCEOXSMHC-HNNXBMFYSA-N 1 2 336.436 0.462 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000368914506 438398913 /nfs/dbraw/zinc/39/89/13/438398913.db2.gz XOJYZHHRMVMGNA-CABCVRRESA-N 1 2 336.436 0.460 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000368914506 438398917 /nfs/dbraw/zinc/39/89/17/438398917.db2.gz XOJYZHHRMVMGNA-CABCVRRESA-N 1 2 336.436 0.460 20 30 ECEDLO C=C(C)CN(C)C(=O)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000378567033 438403382 /nfs/dbraw/zinc/40/33/82/438403382.db2.gz HQQXXFSBWRHJHP-HNNXBMFYSA-N 1 2 338.452 0.527 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000437993853 438463390 /nfs/dbraw/zinc/46/33/90/438463390.db2.gz FXOAESIUHDHTBM-KBPBESRZSA-N 1 2 338.452 0.559 20 30 ECEDLO CC[C@H](C(=O)OC)N1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000352665915 438457601 /nfs/dbraw/zinc/45/76/01/438457601.db2.gz GJLRCSNNMJNJKQ-ZIAGYGMSSA-N 1 2 336.436 0.507 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000452100740 438640428 /nfs/dbraw/zinc/64/04/28/438640428.db2.gz FEJTZZTUJWDORT-LLVKDONJSA-N 1 2 343.836 0.899 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000452100740 438640431 /nfs/dbraw/zinc/64/04/31/438640431.db2.gz FEJTZZTUJWDORT-LLVKDONJSA-N 1 2 343.836 0.899 20 30 ECEDLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC#N)c2)CC[N@@H+]1CCO ZINC000453714860 438691047 /nfs/dbraw/zinc/69/10/47/438691047.db2.gz KRAYXQYBCRXDCE-CYBMUJFWSA-N 1 2 330.388 0.216 20 30 ECEDLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC#N)c2)CC[N@H+]1CCO ZINC000453714860 438691050 /nfs/dbraw/zinc/69/10/50/438691050.db2.gz KRAYXQYBCRXDCE-CYBMUJFWSA-N 1 2 330.388 0.216 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(C(C)(C)C(=O)OC)CC1 ZINC000494457520 438693069 /nfs/dbraw/zinc/69/30/69/438693069.db2.gz ZFORFYABEMDBGF-CQSZACIVSA-N 1 2 338.452 0.564 20 30 ECEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000453972298 438704675 /nfs/dbraw/zinc/70/46/75/438704675.db2.gz VSQHSHFMRIOVLA-GASCZTMLSA-N 1 2 342.399 0.785 20 30 ECEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000453972298 438704676 /nfs/dbraw/zinc/70/46/76/438704676.db2.gz VSQHSHFMRIOVLA-GASCZTMLSA-N 1 2 342.399 0.785 20 30 ECEDLO Cn1ccnc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cccnc1C#N ZINC000575045949 438734995 /nfs/dbraw/zinc/73/49/95/438734995.db2.gz ZCIGKUBZTZXHDB-LBPRGKRZSA-N 1 2 332.389 0.022 20 30 ECEDLO CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000576041899 438765443 /nfs/dbraw/zinc/76/54/43/438765443.db2.gz ZFFHWQSTZSIHCR-JTQLQIEISA-N 1 2 342.407 0.718 20 30 ECEDLO CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000576041899 438765445 /nfs/dbraw/zinc/76/54/45/438765445.db2.gz ZFFHWQSTZSIHCR-JTQLQIEISA-N 1 2 342.407 0.718 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000555482606 438775217 /nfs/dbraw/zinc/77/52/17/438775217.db2.gz HCTKUJMCHJPYTH-SFHVURJKSA-N 1 2 339.399 0.870 20 30 ECEDLO N#CCCN1CCN(C(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000601447440 438898331 /nfs/dbraw/zinc/89/83/31/438898331.db2.gz PKTVDXOXCZVVOU-CQSZACIVSA-N 1 2 344.419 0.521 20 30 ECEDLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC000595834345 438868277 /nfs/dbraw/zinc/86/82/77/438868277.db2.gz JBUQZKBOAHNIED-SFHVURJKSA-N 1 2 349.479 0.281 20 30 ECEDLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC000595834345 438868280 /nfs/dbraw/zinc/86/82/80/438868280.db2.gz JBUQZKBOAHNIED-SFHVURJKSA-N 1 2 349.479 0.281 20 30 ECEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCSC[C@@H]1C#N ZINC000564617648 438874441 /nfs/dbraw/zinc/87/44/41/438874441.db2.gz JBVGXNXXAXKAID-KBPBESRZSA-N 1 2 349.460 0.951 20 30 ECEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCSC[C@@H]1C#N ZINC000564617648 438874445 /nfs/dbraw/zinc/87/44/45/438874445.db2.gz JBVGXNXXAXKAID-KBPBESRZSA-N 1 2 349.460 0.951 20 30 ECEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 ZINC000601404782 438878582 /nfs/dbraw/zinc/87/85/82/438878582.db2.gz FSANAEQDECIJNT-GDBMZVCRSA-N 1 2 335.429 0.796 20 30 ECEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 ZINC000601404782 438878586 /nfs/dbraw/zinc/87/85/86/438878586.db2.gz FSANAEQDECIJNT-GDBMZVCRSA-N 1 2 335.429 0.796 20 30 ECEDLO CN(C)S(=O)(=O)c1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000564871162 438881585 /nfs/dbraw/zinc/88/15/85/438881585.db2.gz FRVJALIZBIZTDW-OAHLLOKOSA-N 1 2 338.433 0.511 20 30 ECEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2c(C#N)cnn2C)CC1 ZINC000596071745 438921893 /nfs/dbraw/zinc/92/18/93/438921893.db2.gz VNMJFMWZNLMFEY-CQSZACIVSA-N 1 2 330.436 0.815 20 30 ECEDLO N#Cc1nccc(NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)n1 ZINC000565224104 438931801 /nfs/dbraw/zinc/93/18/01/438931801.db2.gz ZXUPHNVQQFAEOK-UHFFFAOYSA-N 1 2 342.447 0.907 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1nc2ncccc2cc1C#N ZINC000596160663 438934249 /nfs/dbraw/zinc/93/42/49/438934249.db2.gz XKGOSRVHQHPUDE-OAHLLOKOSA-N 1 2 327.388 0.631 20 30 ECEDLO C=CCCCCCNC(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000578643053 438942858 /nfs/dbraw/zinc/94/28/58/438942858.db2.gz LAYYUQLBKDZMSL-UHFFFAOYSA-N 1 2 333.436 0.917 20 30 ECEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@H](CO)C1 ZINC000601469097 438908648 /nfs/dbraw/zinc/90/86/48/438908648.db2.gz KAGUMXNHFVRHCH-NSHDSACASA-N 1 2 329.809 0.509 20 30 ECEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@H](CO)C1 ZINC000601469097 438908654 /nfs/dbraw/zinc/90/86/54/438908654.db2.gz KAGUMXNHFVRHCH-NSHDSACASA-N 1 2 329.809 0.509 20 30 ECEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000459556567 438976530 /nfs/dbraw/zinc/97/65/30/438976530.db2.gz BPNVDYHSLSKPOW-JYJNAYRXSA-N 1 2 335.400 0.763 20 30 ECEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000459556567 438976534 /nfs/dbraw/zinc/97/65/34/438976534.db2.gz BPNVDYHSLSKPOW-JYJNAYRXSA-N 1 2 335.400 0.763 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000579377487 439003722 /nfs/dbraw/zinc/00/37/22/439003722.db2.gz QFRACVQEYRPUQS-GFCCVEGCSA-N 1 2 343.453 0.550 20 30 ECEDLO N#CC1(CNC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)CCC1 ZINC000591411729 439011994 /nfs/dbraw/zinc/01/19/94/439011994.db2.gz GYVCQGDQQWAUJR-UHFFFAOYSA-N 1 2 333.436 0.630 20 30 ECEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2cncc(C#N)n2)CC1 ZINC000591459185 439015994 /nfs/dbraw/zinc/01/59/94/439015994.db2.gz SVDWULBUXRNWHH-AWEZNQCLSA-N 1 2 328.420 0.871 20 30 ECEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000602451379 439087568 /nfs/dbraw/zinc/08/75/68/439087568.db2.gz YZSPOVYJGYWUJU-ZDUSSCGKSA-N 1 2 346.387 0.930 20 30 ECEDLO N#C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)CCO1 ZINC000602378676 439076387 /nfs/dbraw/zinc/07/63/87/439076387.db2.gz IIPAFXZLMSOJEK-HZPDHXFCSA-N 1 2 345.403 0.216 20 30 ECEDLO N#C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)CCO1 ZINC000602378676 439076395 /nfs/dbraw/zinc/07/63/95/439076395.db2.gz IIPAFXZLMSOJEK-HZPDHXFCSA-N 1 2 345.403 0.216 20 30 ECEDLO N#C[C@H]1CC[C@@H](NC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000591847399 439085587 /nfs/dbraw/zinc/08/55/87/439085587.db2.gz QLVMFFIFEJRIIU-GOEBONIOSA-N 1 2 347.463 0.922 20 30 ECEDLO Cc1n[nH]cc1C[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000602944550 439166933 /nfs/dbraw/zinc/16/69/33/439166933.db2.gz UGTGEUXTYRNRJN-INIZCTEOSA-N 1 2 332.452 0.842 20 30 ECEDLO Cc1n[nH]cc1C[N@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000602944550 439166939 /nfs/dbraw/zinc/16/69/39/439166939.db2.gz UGTGEUXTYRNRJN-INIZCTEOSA-N 1 2 332.452 0.842 20 30 ECEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)NCCN2CCc3ccccc32)C1 ZINC000592147881 439167205 /nfs/dbraw/zinc/16/72/05/439167205.db2.gz SWSUHYNTZXAJQW-GOSISDBHSA-N 1 2 328.416 0.516 20 30 ECEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)NCCN2CCc3ccccc32)C1 ZINC000592147881 439167208 /nfs/dbraw/zinc/16/72/08/439167208.db2.gz SWSUHYNTZXAJQW-GOSISDBHSA-N 1 2 328.416 0.516 20 30 ECEDLO N#Cc1ccc(N2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)nc1N ZINC000567179603 439122462 /nfs/dbraw/zinc/12/24/62/439122462.db2.gz MICDAZOMUUDOAT-INIZCTEOSA-N 1 2 336.399 0.884 20 30 ECEDLO N#C[C@H](CCc1ccccc1)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000597618876 439139229 /nfs/dbraw/zinc/13/92/29/439139229.db2.gz WLWNYZKWVURGJL-DLBZAZTESA-N 1 2 331.416 0.568 20 30 ECEDLO C[C@@H]1C[N@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C[C@H](C)N1CC#N ZINC000602854576 439144652 /nfs/dbraw/zinc/14/46/52/439144652.db2.gz CTLYAJCRXCJWEG-IJEWVQPXSA-N 1 2 330.436 0.834 20 30 ECEDLO C[C@@H]1C[N@@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C[C@H](C)N1CC#N ZINC000602854576 439144660 /nfs/dbraw/zinc/14/46/60/439144660.db2.gz CTLYAJCRXCJWEG-IJEWVQPXSA-N 1 2 330.436 0.834 20 30 ECEDLO Cc1cc(N2CC[C@H]([NH+]3C[C@H](C)N(CC#N)[C@@H](C)C3)C2=O)n(C)n1 ZINC000602866539 439147615 /nfs/dbraw/zinc/14/76/15/439147615.db2.gz VUJDWYNQIPBLHS-KKUMJFAQSA-N 1 2 330.436 0.752 20 30 ECEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@H](Cn3ccnn3)C2)cc1 ZINC000602902107 439154948 /nfs/dbraw/zinc/15/49/48/439154948.db2.gz GHPNXSYMVBWNCB-WBVHZDCISA-N 1 2 343.387 0.290 20 30 ECEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@H](Cn3ccnn3)C2)cc1 ZINC000602902107 439154953 /nfs/dbraw/zinc/15/49/53/439154953.db2.gz GHPNXSYMVBWNCB-WBVHZDCISA-N 1 2 343.387 0.290 20 30 ECEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C1 ZINC000592147469 439164944 /nfs/dbraw/zinc/16/49/44/439164944.db2.gz OVOICQUEOTZYNT-KRWDZBQOSA-N 1 2 348.378 0.385 20 30 ECEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C1 ZINC000592147469 439164949 /nfs/dbraw/zinc/16/49/49/439164949.db2.gz OVOICQUEOTZYNT-KRWDZBQOSA-N 1 2 348.378 0.385 20 30 ECEDLO CN(C)C(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592149361 439166348 /nfs/dbraw/zinc/16/63/48/439166348.db2.gz NNPBDJHQBSJLFI-QGZVFWFLSA-N 1 2 330.388 0.677 20 30 ECEDLO CN(C)C(=O)c1ccc(NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592149361 439166353 /nfs/dbraw/zinc/16/63/53/439166353.db2.gz NNPBDJHQBSJLFI-QGZVFWFLSA-N 1 2 330.388 0.677 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000592202212 439179900 /nfs/dbraw/zinc/17/99/00/439179900.db2.gz ZLTYHZICAGPHEC-KYOSRNDESA-N 1 2 331.372 0.741 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000592202212 439179903 /nfs/dbraw/zinc/17/99/03/439179903.db2.gz ZLTYHZICAGPHEC-KYOSRNDESA-N 1 2 331.372 0.741 20 30 ECEDLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000592199483 439181563 /nfs/dbraw/zinc/18/15/63/439181563.db2.gz QRMNIIAPDHXZHY-KBPBESRZSA-N 1 2 342.355 0.964 20 30 ECEDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000592199483 439181566 /nfs/dbraw/zinc/18/15/66/439181566.db2.gz QRMNIIAPDHXZHY-KBPBESRZSA-N 1 2 342.355 0.964 20 30 ECEDLO C=C[C@H](C(=O)OC)n1cc(C[NH+]2CCC(C(=O)OCC)CC2)nn1 ZINC000603238405 439215473 /nfs/dbraw/zinc/21/54/73/439215473.db2.gz WWZBMVLDFOZCFW-CQSZACIVSA-N 1 2 336.392 0.953 20 30 ECEDLO C#CCN(CC)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000490593978 439274862 /nfs/dbraw/zinc/27/48/62/439274862.db2.gz ILMLNAJLNJZGEZ-UHFFFAOYSA-N 1 2 343.431 0.785 20 30 ECEDLO COCCCS(=O)(=O)N1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598595842 439284952 /nfs/dbraw/zinc/28/49/52/439284952.db2.gz WVKVEJLBAFGLFV-AWEZNQCLSA-N 1 2 347.481 0.271 20 30 ECEDLO N#Cc1cc(Br)cnc1N1CC2(C1)CC(=O)NCC[NH2+]2 ZINC000603416965 439258562 /nfs/dbraw/zinc/25/85/62/439258562.db2.gz WOJYBTOKYPPWSQ-UHFFFAOYSA-N 1 2 336.193 0.384 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CO[C@H]2CCCC[C@H]2C)CC1 ZINC000490669121 439284607 /nfs/dbraw/zinc/28/46/07/439284607.db2.gz FQDKCQNQIHGKCX-SJORKVTESA-N 1 2 349.475 0.865 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CO[C@H]2CCCC[C@H]2C)CC1 ZINC000490669121 439284611 /nfs/dbraw/zinc/28/46/11/439284611.db2.gz FQDKCQNQIHGKCX-SJORKVTESA-N 1 2 349.475 0.865 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc3c2OCCC3=O)CC1 ZINC000490951729 439318097 /nfs/dbraw/zinc/31/80/97/439318097.db2.gz ZRKZUVWRGUVBOJ-UHFFFAOYSA-N 1 2 327.384 0.841 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000491126834 439335581 /nfs/dbraw/zinc/33/55/81/439335581.db2.gz SQYKUKHNHVZDAK-UHFFFAOYSA-N 1 2 346.387 0.470 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CO[C@H]2CCCC[C@@H]2C)CC1 ZINC000490669120 439285069 /nfs/dbraw/zinc/28/50/69/439285069.db2.gz FQDKCQNQIHGKCX-IRXDYDNUSA-N 1 2 349.475 0.865 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CO[C@H]2CCCC[C@@H]2C)CC1 ZINC000490669120 439285076 /nfs/dbraw/zinc/28/50/76/439285076.db2.gz FQDKCQNQIHGKCX-IRXDYDNUSA-N 1 2 349.475 0.865 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(Cc2nc([C@H](C)OCC)no2)CC1 ZINC000490712787 439289412 /nfs/dbraw/zinc/28/94/12/439289412.db2.gz GWJJCFWHZDOCBQ-KBPBESRZSA-N 1 2 349.435 0.423 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN([C@H](CC)C(=O)OCC)C2CC2)CC1 ZINC000490712465 439289644 /nfs/dbraw/zinc/28/96/44/439289644.db2.gz FBKFEYSWDSIIQS-MRXNPFEDSA-N 1 2 335.448 0.570 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(C(=O)OC)ccc2C)CC1 ZINC000490760343 439295170 /nfs/dbraw/zinc/29/51/70/439295170.db2.gz LDCPOXOVMIIUML-UHFFFAOYSA-N 1 2 329.400 0.971 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C#N)s2)CC1 ZINC000490781177 439298125 /nfs/dbraw/zinc/29/81/25/439298125.db2.gz XYRCOTJDLPIPRN-UHFFFAOYSA-N 1 2 330.413 0.517 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C#N)s2)CC1 ZINC000490781177 439298128 /nfs/dbraw/zinc/29/81/28/439298128.db2.gz XYRCOTJDLPIPRN-UHFFFAOYSA-N 1 2 330.413 0.517 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(C(=O)N(C)C)cc2)CC1 ZINC000490800100 439300475 /nfs/dbraw/zinc/30/04/75/439300475.db2.gz NWYWFIRXVQAZHZ-UHFFFAOYSA-N 1 2 329.400 0.545 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(C)[C@@H](C(=O)OC)c2ccccc2)CC1 ZINC000490841116 439301441 /nfs/dbraw/zinc/30/14/41/439301441.db2.gz RXARGQJKVGTBBX-GOSISDBHSA-N 1 2 343.427 0.610 20 30 ECEDLO C[C@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@H](CO)O1 ZINC000528477228 439338400 /nfs/dbraw/zinc/33/84/00/439338400.db2.gz WCNJTSBVWBFNIG-UONOGXRCSA-N 1 2 328.368 0.368 20 30 ECEDLO C[C@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@H](CO)O1 ZINC000528477228 439338402 /nfs/dbraw/zinc/33/84/02/439338402.db2.gz WCNJTSBVWBFNIG-UONOGXRCSA-N 1 2 328.368 0.368 20 30 ECEDLO C#CCNC(=O)C1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000491154464 439340152 /nfs/dbraw/zinc/34/01/52/439340152.db2.gz JPRXZSYTWKIRCG-UHFFFAOYSA-N 1 2 329.404 0.279 20 30 ECEDLO C#CCNC(=O)C1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000491154464 439340156 /nfs/dbraw/zinc/34/01/56/439340156.db2.gz JPRXZSYTWKIRCG-UHFFFAOYSA-N 1 2 329.404 0.279 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000491165309 439341277 /nfs/dbraw/zinc/34/12/77/439341277.db2.gz JTKYUGICTGPOPV-CGZBRXJRSA-N 1 2 348.491 0.437 20 30 ECEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000599192273 439378331 /nfs/dbraw/zinc/37/83/31/439378331.db2.gz FSOGLCYKGMYXMB-HNNXBMFYSA-N 1 2 344.419 0.115 20 30 ECEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000599192273 439378335 /nfs/dbraw/zinc/37/83/35/439378335.db2.gz FSOGLCYKGMYXMB-HNNXBMFYSA-N 1 2 344.419 0.115 20 30 ECEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000570048493 439386893 /nfs/dbraw/zinc/38/68/93/439386893.db2.gz WZHLDJSQQXSDGL-ZDUSSCGKSA-N 1 2 338.389 0.980 20 30 ECEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000570048493 439386898 /nfs/dbraw/zinc/38/68/98/439386898.db2.gz WZHLDJSQQXSDGL-ZDUSSCGKSA-N 1 2 338.389 0.980 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2cnccc2Cl)CC1 ZINC000491620922 439412827 /nfs/dbraw/zinc/41/28/27/439412827.db2.gz FWALENBNHZABEF-UHFFFAOYSA-N 1 2 348.834 0.561 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2cnccc2Cl)CC1 ZINC000491620922 439412834 /nfs/dbraw/zinc/41/28/34/439412834.db2.gz FWALENBNHZABEF-UHFFFAOYSA-N 1 2 348.834 0.561 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2ncn(-c3ccccc3)n2)CC1 ZINC000491658027 439422008 /nfs/dbraw/zinc/42/20/08/439422008.db2.gz GSDOUNPFUGTVSF-UHFFFAOYSA-N 1 2 338.415 0.134 20 30 ECEDLO CCOC[C@H](C(=O)OC)[N@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599334929 439435982 /nfs/dbraw/zinc/43/59/82/439435982.db2.gz KQEFMINZEZTYTR-ZIAGYGMSSA-N 1 2 328.409 0.568 20 30 ECEDLO CCOC[C@H](C(=O)OC)[N@@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599334929 439435989 /nfs/dbraw/zinc/43/59/89/439435989.db2.gz KQEFMINZEZTYTR-ZIAGYGMSSA-N 1 2 328.409 0.568 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCOc3c(F)c(F)ccc32)CC1 ZINC000491808233 439455817 /nfs/dbraw/zinc/45/58/17/439455817.db2.gz UOKRLLBNMWXFQC-UHFFFAOYSA-N 1 2 335.354 0.941 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000599440113 439467910 /nfs/dbraw/zinc/46/79/10/439467910.db2.gz FREXISZVLCQKQK-RHSMWYFYSA-N 1 2 332.452 0.970 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(Cc2cn[nH]c2)CC1 ZINC000599440113 439467914 /nfs/dbraw/zinc/46/79/14/439467914.db2.gz FREXISZVLCQKQK-RHSMWYFYSA-N 1 2 332.452 0.970 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCN(c2nncn2C)CC1 ZINC000594026176 439509494 /nfs/dbraw/zinc/50/94/94/439509494.db2.gz FFJOVJZQKGWOHK-AWEZNQCLSA-N 1 2 345.451 0.668 20 30 ECEDLO Cc1cc(NC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)nn1CCC#N ZINC000534348355 439529194 /nfs/dbraw/zinc/52/91/94/439529194.db2.gz QQOHKXFXOYVJMW-CYBMUJFWSA-N 1 2 333.440 0.863 20 30 ECEDLO Cn1ncc2c1nc(N)[nH+]c2N1CCN(c2ncccc2C#N)CC1 ZINC000571820527 439533376 /nfs/dbraw/zinc/53/33/76/439533376.db2.gz FSPUUPYZIBEUQT-UHFFFAOYSA-N 1 2 335.375 0.539 20 30 ECEDLO C[N@H+](CCC#N)C[C@H](O)Cn1cnc2sc([N+](=O)[O-])cc2c1=O ZINC000572039557 439551508 /nfs/dbraw/zinc/55/15/08/439551508.db2.gz QFHMSQURGGYJBV-VIFPVBQESA-N 1 2 337.361 0.573 20 30 ECEDLO C[N@@H+](CCC#N)C[C@H](O)Cn1cnc2sc([N+](=O)[O-])cc2c1=O ZINC000572039557 439551513 /nfs/dbraw/zinc/55/15/13/439551513.db2.gz QFHMSQURGGYJBV-VIFPVBQESA-N 1 2 337.361 0.573 20 30 ECEDLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)N2CCC(C#N)CC2)C1=O ZINC000543049798 439560489 /nfs/dbraw/zinc/56/04/89/439560489.db2.gz CPUAYSIRRVHUHL-CQSZACIVSA-N 1 2 344.419 0.856 20 30 ECEDLO C[C@@H](CNS(=O)(=O)c1cncc(C#N)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471342 439565780 /nfs/dbraw/zinc/56/57/80/439565780.db2.gz CVZUOWZESOQBBV-RWMBFGLXSA-N 1 2 338.433 0.729 20 30 ECEDLO C[C@@H](CNS(=O)(=O)c1cncc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471342 439565783 /nfs/dbraw/zinc/56/57/83/439565783.db2.gz CVZUOWZESOQBBV-RWMBFGLXSA-N 1 2 338.433 0.729 20 30 ECEDLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)/C=C\c2cccc(C#N)c2)CCO1 ZINC000492749683 439567600 /nfs/dbraw/zinc/56/76/00/439567600.db2.gz HOZCHXAQZTWFBE-KJPDOMRESA-N 1 2 342.399 0.216 20 30 ECEDLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)/C=C\c2cccc(C#N)c2)CCO1 ZINC000492749683 439567605 /nfs/dbraw/zinc/56/76/05/439567605.db2.gz HOZCHXAQZTWFBE-KJPDOMRESA-N 1 2 342.399 0.216 20 30 ECEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000609485574 439571567 /nfs/dbraw/zinc/57/15/67/439571567.db2.gz SSWLICPYJIMGOM-JYJNAYRXSA-N 1 2 349.479 0.265 20 30 ECEDLO CCOc1ccc(OC[C@@H](O)C[NH+]2CCN(C(=O)CC#N)CC2)cc1 ZINC000572300582 439572080 /nfs/dbraw/zinc/57/20/80/439572080.db2.gz GHLQLUQFMDIBRF-HNNXBMFYSA-N 1 2 347.415 0.883 20 30 ECEDLO C=CCSCCNC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594621191 439582931 /nfs/dbraw/zinc/58/29/31/439582931.db2.gz RPUZKDYORONFBH-MCIONIFRSA-N 1 2 343.493 0.636 20 30 ECEDLO C=CCSCCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594621191 439582936 /nfs/dbraw/zinc/58/29/36/439582936.db2.gz RPUZKDYORONFBH-MCIONIFRSA-N 1 2 343.493 0.636 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000492882775 439584376 /nfs/dbraw/zinc/58/43/76/439584376.db2.gz OGSDGPAPFUWQCJ-LBPRGKRZSA-N 1 2 340.424 0.939 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000492882775 439584380 /nfs/dbraw/zinc/58/43/80/439584380.db2.gz OGSDGPAPFUWQCJ-LBPRGKRZSA-N 1 2 340.424 0.939 20 30 ECEDLO C[NH+]1CCN(C(=O)c2cc(NCc3nc(C#N)cs3)ccn2)CC1 ZINC000584656132 439606052 /nfs/dbraw/zinc/60/60/52/439606052.db2.gz GYODHNPRCSWABJ-UHFFFAOYSA-N 1 2 342.428 0.831 20 30 ECEDLO C[C@@H](C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)[NH+]1CCOCC1 ZINC000573696814 439662036 /nfs/dbraw/zinc/66/20/36/439662036.db2.gz OZNDHHQQZYLGPQ-DZGCQCFKSA-N 1 2 330.388 0.654 20 30 ECEDLO N#CCN1CCC(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000611072688 439670650 /nfs/dbraw/zinc/67/06/50/439670650.db2.gz QVJOGZKQJIHFJP-HNNXBMFYSA-N 1 2 328.420 0.947 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cc1ccc(C#N)cc1 ZINC000600232560 439626501 /nfs/dbraw/zinc/62/65/01/439626501.db2.gz RUYDSWDCQVNVEI-IBGZPJMESA-N 1 2 343.427 0.833 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cc1ccc(C#N)cc1 ZINC000600232560 439626505 /nfs/dbraw/zinc/62/65/05/439626505.db2.gz RUYDSWDCQVNVEI-IBGZPJMESA-N 1 2 343.427 0.833 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@@H]3CNC(=O)C3)CC2)cc1 ZINC000595288975 439690649 /nfs/dbraw/zinc/69/06/49/439690649.db2.gz CVKLELBQDVFGTD-AWEZNQCLSA-N 1 2 348.428 0.001 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000574209724 439690929 /nfs/dbraw/zinc/69/09/29/439690929.db2.gz FZQNDIMDJBHILY-XNJGSVPQSA-N 1 2 334.420 0.512 20 30 ECEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCSC[C@@H]2C(N)=O)cc1 ZINC000611350060 439693878 /nfs/dbraw/zinc/69/38/78/439693878.db2.gz XXVORPBGQYIBQE-UKRRQHHQSA-N 1 2 335.429 0.395 20 30 ECEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCSC[C@@H]2C(N)=O)cc1 ZINC000611350060 439693885 /nfs/dbraw/zinc/69/38/85/439693885.db2.gz XXVORPBGQYIBQE-UKRRQHHQSA-N 1 2 335.429 0.395 20 30 ECEDLO Cc1nn(C)c(N2CC[NH+](CCN3C[C@@H](C)O[C@@H](C)C3)CC2)c1C#N ZINC000595459389 439729748 /nfs/dbraw/zinc/72/97/48/439729748.db2.gz ZEWVHPUQVUDMFZ-GASCZTMLSA-N 1 2 346.479 0.831 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000611828896 439731813 /nfs/dbraw/zinc/73/18/13/439731813.db2.gz PHAYBUWMWRJESU-MRXNPFEDSA-N 1 2 334.464 0.934 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000614670748 439784171 /nfs/dbraw/zinc/78/41/71/439784171.db2.gz YDBBVNSBGFVBRE-GJZGRUSLSA-N 1 2 349.435 0.869 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000614670748 439784172 /nfs/dbraw/zinc/78/41/72/439784172.db2.gz YDBBVNSBGFVBRE-GJZGRUSLSA-N 1 2 349.435 0.869 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000615096661 439794158 /nfs/dbraw/zinc/79/41/58/439794158.db2.gz UUYUZSFTWYJQLM-GOEBONIOSA-N 1 2 328.478 0.980 20 30 ECEDLO CC#CC[C@H](CO)NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000646952759 439944857 /nfs/dbraw/zinc/94/48/57/439944857.db2.gz IKYAKLJGAUNRSF-OAHLLOKOSA-N 1 2 340.383 0.916 20 30 ECEDLO C=CCn1cc(C(=O)N2CCCN(Cc3[nH+]ccn3C)CC2)nn1 ZINC000648771930 440325226 /nfs/dbraw/zinc/32/52/26/440325226.db2.gz RSUKGVXUDWXUHH-UHFFFAOYSA-N 1 2 329.408 0.546 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633298404 440476598 /nfs/dbraw/zinc/47/65/98/440476598.db2.gz JXUVXZRLVZXGSN-CVEARBPZSA-N 1 2 331.420 0.690 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000628577600 440508896 /nfs/dbraw/zinc/50/88/96/440508896.db2.gz UGGINKFIVKSOJM-YOEHRIQHSA-N 1 2 326.437 0.700 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000628577600 440508900 /nfs/dbraw/zinc/50/89/00/440508900.db2.gz UGGINKFIVKSOJM-YOEHRIQHSA-N 1 2 326.437 0.700 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000629431363 440695447 /nfs/dbraw/zinc/69/54/47/440695447.db2.gz DLKYSCYIAWGARY-ZACQAIPSSA-N 1 2 331.416 0.990 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000629431363 440695454 /nfs/dbraw/zinc/69/54/54/440695454.db2.gz DLKYSCYIAWGARY-ZACQAIPSSA-N 1 2 331.416 0.990 20 30 ECEDLO C=CCCn1cc(C[NH2+]CCNS(=O)(=O)c2cccs2)nn1 ZINC000657413634 441002754 /nfs/dbraw/zinc/00/27/54/441002754.db2.gz OWLDJUBCSSOOKE-UHFFFAOYSA-N 1 2 341.462 0.984 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)COc2ccc3c(c2)OCO3)nn1 ZINC000641214238 441077277 /nfs/dbraw/zinc/07/72/77/441077277.db2.gz AGUGTCVHOPBBCC-AWEZNQCLSA-N 1 2 344.371 0.560 20 30 ECEDLO Cc1nc(N2CCN(S(=O)(=O)c3cncc(C#N)c3)CC2)cc[nH+]1 ZINC000289596843 320669633 /nfs/dbraw/zinc/66/96/33/320669633.db2.gz XLPURCFZXMAMHH-UHFFFAOYSA-N 1 2 344.400 0.563 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001077992421 782093890 /nfs/dbraw/zinc/09/38/90/782093890.db2.gz XLHNVFCZGVQEGO-HZPDHXFCSA-N 1 2 325.372 0.066 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001077992421 782093900 /nfs/dbraw/zinc/09/39/00/782093900.db2.gz XLHNVFCZGVQEGO-HZPDHXFCSA-N 1 2 325.372 0.066 20 30 ECEDLO C[C@@H](C(=O)N1CCN(c2cnccc2C#N)CC1)[NH+]1CCN(C)CC1 ZINC000557746039 322209735 /nfs/dbraw/zinc/20/97/35/322209735.db2.gz ONYVRNCVIUMXJI-HNNXBMFYSA-N 1 2 342.447 0.238 20 30 ECEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCn1cnc(C#N)n1)C2 ZINC000561296588 322258697 /nfs/dbraw/zinc/25/86/97/322258697.db2.gz ZWWJMCGAVDKTER-LLVKDONJSA-N 1 2 327.392 0.918 20 30 ECEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCCn1cnc(C#N)n1)CC2 ZINC000561296588 322258699 /nfs/dbraw/zinc/25/86/99/322258699.db2.gz ZWWJMCGAVDKTER-LLVKDONJSA-N 1 2 327.392 0.918 20 30 ECEDLO N#Cc1cnc2ccccc2c1N1CC[NH+]([C@@H]2CC(=O)NC2=O)CC1 ZINC000563348369 322309982 /nfs/dbraw/zinc/30/99/82/322309982.db2.gz JRZIRUBOSPQXEL-OAHLLOKOSA-N 1 2 335.367 0.644 20 30 ECEDLO CO[C@@H]1COC[C@@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000563516438 322324073 /nfs/dbraw/zinc/32/40/73/322324073.db2.gz LVXBPEYURGVSBB-DLBZAZTESA-N 1 2 344.415 0.799 20 30 ECEDLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000572056011 322738670 /nfs/dbraw/zinc/73/86/70/322738670.db2.gz RFVKFQUPHVOAOK-HNNXBMFYSA-N 1 2 343.431 0.318 20 30 ECEDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1ccnc(C#N)c1)C2 ZINC000575065069 322790302 /nfs/dbraw/zinc/79/03/02/322790302.db2.gz ZLVGIBSSMTZDOY-ZDUSSCGKSA-N 1 2 325.372 0.738 20 30 ECEDLO CCn1cnc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)c1 ZINC001078016029 782143466 /nfs/dbraw/zinc/14/34/66/782143466.db2.gz VNYCATVJNQUGMS-NVXWUHKLSA-N 1 2 339.399 0.750 20 30 ECEDLO CCn1cnc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)c1 ZINC001078016029 782143473 /nfs/dbraw/zinc/14/34/73/782143473.db2.gz VNYCATVJNQUGMS-NVXWUHKLSA-N 1 2 339.399 0.750 20 30 ECEDLO COCC[NH+]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 ZINC000347067657 518057718 /nfs/dbraw/zinc/05/77/18/518057718.db2.gz YFEUDZPGZQVNTM-UHFFFAOYSA-N 1 2 341.408 0.791 20 30 ECEDLO C=C(C)CN(CC)C(=O)CN1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000054994735 545672577 /nfs/dbraw/zinc/67/25/77/545672577.db2.gz DJKUPPRJFRXQBZ-OAHLLOKOSA-N 1 2 336.480 0.696 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000054994735 545672580 /nfs/dbraw/zinc/67/25/80/545672580.db2.gz DJKUPPRJFRXQBZ-OAHLLOKOSA-N 1 2 336.480 0.696 20 30 ECEDLO CC(C)(C)c1nc(=NC(=O)NC[C@@H](O)C[NH+]2CCOCC2)s[nH]1 ZINC000329101174 546014169 /nfs/dbraw/zinc/01/41/69/546014169.db2.gz MVVCRLOJSGDWCU-SNVBAGLBSA-N 1 2 343.453 0.277 20 30 ECEDLO Cc1cc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)nn1CCC#N ZINC000329395939 546022473 /nfs/dbraw/zinc/02/24/73/546022473.db2.gz XFKSWPMIKHOXCA-CQSZACIVSA-N 1 2 332.408 1.044 20 30 ECEDLO CN1CC[N@H+](C)[C@H](CNC(=O)Cn2cnc3sccc3c2=O)C1 ZINC000329390702 546023081 /nfs/dbraw/zinc/02/30/81/546023081.db2.gz VATBKTPWDMOTCY-LLVKDONJSA-N 1 2 335.433 0.660 20 30 ECEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)Cn2cnc3sccc3c2=O)C1 ZINC000329390702 546023086 /nfs/dbraw/zinc/02/30/86/546023086.db2.gz VATBKTPWDMOTCY-LLVKDONJSA-N 1 2 335.433 0.660 20 30 ECEDLO Cc1noc(CN2CCN(C([O-])=[NH+][C@H](C)Cn3cc[nH+]c3)CC2)n1 ZINC000329674851 546030831 /nfs/dbraw/zinc/03/08/31/546030831.db2.gz OTXRYWMQMQFURK-GFCCVEGCSA-N 1 2 333.396 0.695 20 30 ECEDLO CN(C)c1c[nH+]ccc1NC(=O)NCCCc1[nH]nc(N)c1C#N ZINC000619808146 546372428 /nfs/dbraw/zinc/37/24/28/546372428.db2.gz OISCPOYKMKGSKN-UHFFFAOYSA-N 1 2 328.380 0.501 20 30 ECEDLO CC#CC[C@@H](CO)NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000645203243 547413501 /nfs/dbraw/zinc/41/35/01/547413501.db2.gz JWAKPJCDPGOTDL-HOCLYGCPSA-N 1 2 341.477 0.268 20 30 ECEDLO C=CCOCCCNC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000669188743 547848297 /nfs/dbraw/zinc/84/82/97/547848297.db2.gz FMZYSNXCQKFVTO-MRXNPFEDSA-N 1 2 331.416 0.998 20 30 ECEDLO C=CCOCCCNC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000669188743 547848302 /nfs/dbraw/zinc/84/83/02/547848302.db2.gz FMZYSNXCQKFVTO-MRXNPFEDSA-N 1 2 331.416 0.998 20 30 ECEDLO C=CCn1c(CC(C)C)nnc1N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000669809516 547937429 /nfs/dbraw/zinc/93/74/29/547937429.db2.gz RVHQCOWWDNSOKX-UHFFFAOYSA-N 1 2 334.468 0.873 20 30 ECEDLO C=CCOCCNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000679630580 549111093 /nfs/dbraw/zinc/11/10/93/549111093.db2.gz WMLPOTZMHNCBIL-UHFFFAOYSA-N 1 2 345.407 0.398 20 30 ECEDLO C=CCCOCC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000683457032 549490076 /nfs/dbraw/zinc/49/00/76/549490076.db2.gz XXPPGWVNTIVWCD-UHFFFAOYSA-N 1 2 326.437 0.965 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)cn1 ZINC001078032626 782181142 /nfs/dbraw/zinc/18/11/42/782181142.db2.gz XUMJIPZXFUMNCI-RTBURBONSA-N 1 2 346.390 0.910 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)cn1 ZINC001078032626 782181145 /nfs/dbraw/zinc/18/11/45/782181145.db2.gz XUMJIPZXFUMNCI-RTBURBONSA-N 1 2 346.390 0.910 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCCC[C@H]2c2noc(CC)n2)CC1 ZINC000748812744 579329015 /nfs/dbraw/zinc/32/90/15/579329015.db2.gz FSFDESDHMRGUAC-HNNXBMFYSA-N 1 2 345.447 0.936 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC000748823503 579329531 /nfs/dbraw/zinc/32/95/31/579329531.db2.gz AKNYCFVWDPJGQR-STQMWFEESA-N 1 2 333.354 0.415 20 30 ECEDLO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH+]=Cc2ccc(O)c(O)c2O)C1=O ZINC000751889898 579377144 /nfs/dbraw/zinc/37/71/44/579377144.db2.gz DAJGNGIPKWCKLD-RPLFYNCHSA-N 1 2 333.344 0.943 20 30 ECEDLO C[C@H](CNc1cccc(S(N)(=O)=O)c1C#N)[NH+]1CCN(C)CC1 ZINC000754991731 579427345 /nfs/dbraw/zinc/42/73/45/579427345.db2.gz BTGIKYTVBAEXAK-GFCCVEGCSA-N 1 2 337.449 0.253 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC2CCC(OC)CC2)CC1 ZINC000759008893 579485072 /nfs/dbraw/zinc/48/50/72/579485072.db2.gz AEFYXBVVBGMGLK-UHFFFAOYSA-N 1 2 349.475 0.865 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC2CCC(OC)CC2)CC1 ZINC000759008893 579485074 /nfs/dbraw/zinc/48/50/74/579485074.db2.gz AEFYXBVVBGMGLK-UHFFFAOYSA-N 1 2 349.475 0.865 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2sc(S(N)(=O)=O)cc2C)CC1 ZINC000725715848 578133130 /nfs/dbraw/zinc/13/31/30/578133130.db2.gz KNPKCHIWQQXXOD-UHFFFAOYSA-N 1 2 341.458 0.485 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cnc3onc(C)c3c2)CC1 ZINC000726793863 578147877 /nfs/dbraw/zinc/14/78/77/578147877.db2.gz RBFVKDFTLYXNSA-UHFFFAOYSA-N 1 2 334.401 0.861 20 30 ECEDLO O=C(NCCNC(=O)C1N=CC=CC1=O)c1ccc2[nH+]ccn2c1 ZINC000732152688 578320332 /nfs/dbraw/zinc/32/03/32/578320332.db2.gz GQACDLFSHHPONX-PEZBUJJGSA-N 1 2 325.328 0.591 20 30 ECEDLO C#CC[N@@H+](Cc1ccc(F)cc1-c1nn[nH]n1)[C@H]1CCS(=O)(=O)C1 ZINC000735374106 578382822 /nfs/dbraw/zinc/38/28/22/578382822.db2.gz BUWKTXQPGBJWCM-ZDUSSCGKSA-N 1 2 349.391 0.628 20 30 ECEDLO C#CC[N@H+](Cc1ccc(F)cc1-c1nn[nH]n1)[C@H]1CCS(=O)(=O)C1 ZINC000735374106 578382823 /nfs/dbraw/zinc/38/28/23/578382823.db2.gz BUWKTXQPGBJWCM-ZDUSSCGKSA-N 1 2 349.391 0.628 20 30 ECEDLO C#CCC[C@H](O)CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000798347974 578644515 /nfs/dbraw/zinc/64/45/15/578644515.db2.gz NLWOMVUVIZOCOP-ZWKOTPCHSA-N 1 2 345.443 0.961 20 30 ECEDLO C#CCC[C@H](O)CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000798347974 578644516 /nfs/dbraw/zinc/64/45/16/578644516.db2.gz NLWOMVUVIZOCOP-ZWKOTPCHSA-N 1 2 345.443 0.961 20 30 ECEDLO C[S@](=O)CC[NH+]1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000780949656 578703568 /nfs/dbraw/zinc/70/35/68/578703568.db2.gz LZXXNKQGJWXIPI-CMJOXMDJSA-N 1 2 335.429 0.114 20 30 ECEDLO NC(=[NH+]OCC(=O)N1CCOCC1)c1ccc(Br)cc1 ZINC000782950145 578736156 /nfs/dbraw/zinc/73/61/56/578736156.db2.gz SFKKXLQYMOKVMF-UHFFFAOYSA-N 1 2 342.193 0.945 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)cn1 ZINC000783553119 578742662 /nfs/dbraw/zinc/74/26/62/578742662.db2.gz QROVKYAARHCGMU-HNNXBMFYSA-N 1 2 337.383 0.717 20 30 ECEDLO C#C[C@@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000784847680 578758440 /nfs/dbraw/zinc/75/84/40/578758440.db2.gz BOXZJQLUKNSATA-CYBMUJFWSA-N 1 2 342.399 0.151 20 30 ECEDLO C[N@@H+]1CCN(C(=O)NCCC#N)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000787354378 578805572 /nfs/dbraw/zinc/80/55/72/578805572.db2.gz BKKXJXFZJPSKGE-GFCCVEGCSA-N 1 2 325.413 0.750 20 30 ECEDLO C[N@H+]1CCN(C(=O)NCCC#N)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000787354378 578805574 /nfs/dbraw/zinc/80/55/74/578805574.db2.gz BKKXJXFZJPSKGE-GFCCVEGCSA-N 1 2 325.413 0.750 20 30 ECEDLO C[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000788276474 578831900 /nfs/dbraw/zinc/83/19/00/578831900.db2.gz ZMQZWNLDXQQPTG-WZRBSPASSA-N 1 2 326.356 0.967 20 30 ECEDLO C[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000788276474 578831902 /nfs/dbraw/zinc/83/19/02/578831902.db2.gz ZMQZWNLDXQQPTG-WZRBSPASSA-N 1 2 326.356 0.967 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cncc(C(=O)OC)c2)CC1 ZINC000788598693 578840498 /nfs/dbraw/zinc/84/04/98/578840498.db2.gz IBVZTEVFBLMDBJ-UHFFFAOYSA-N 1 2 337.401 0.198 20 30 ECEDLO COC(=O)[C@H]1CC(=O)N(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793590019 578931616 /nfs/dbraw/zinc/93/16/16/578931616.db2.gz KLUKNNKHNUIUKW-KBPBESRZSA-N 1 2 344.371 0.385 20 30 ECEDLO COC(=O)[C@H]1CC(=O)N(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793590019 578931617 /nfs/dbraw/zinc/93/16/17/578931617.db2.gz KLUKNNKHNUIUKW-KBPBESRZSA-N 1 2 344.371 0.385 20 30 ECEDLO NC(=[NH+]OCC(=O)N1CCOC[C@@H]1C1CC1)c1ccc2c(c1)CCO2 ZINC000765544712 579068859 /nfs/dbraw/zinc/06/88/59/579068859.db2.gz ZCNDSWSPOCBVMC-OAHLLOKOSA-N 1 2 345.399 0.896 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C)[C@@H]1CCCO1 ZINC000773792736 579234088 /nfs/dbraw/zinc/23/40/88/579234088.db2.gz FJASIZOJGRIRSF-JSGCOSHPSA-N 1 2 330.388 0.692 20 30 ECEDLO CCOCCCNC(=O)[C@@H](C#N)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000773972641 579237674 /nfs/dbraw/zinc/23/76/74/579237674.db2.gz ZDOVIKRLUOZKFE-OLZOCXBDSA-N 1 2 327.450 0.675 20 30 ECEDLO CCOCCCNC(=O)[C@@H](C#N)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000773972641 579237675 /nfs/dbraw/zinc/23/76/75/579237675.db2.gz ZDOVIKRLUOZKFE-OLZOCXBDSA-N 1 2 327.450 0.675 20 30 ECEDLO N#C[C@H]1CN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CCN1C1CC1 ZINC000774240791 579243825 /nfs/dbraw/zinc/24/38/25/579243825.db2.gz HYQAEKXXWFKVCJ-AWEZNQCLSA-N 1 2 338.371 0.472 20 30 ECEDLO C=C(Br)CNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000774858111 579257854 /nfs/dbraw/zinc/25/78/54/579257854.db2.gz HLHOWYBRXCERJW-UHFFFAOYSA-N 1 2 348.241 0.238 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000761038129 579519950 /nfs/dbraw/zinc/51/99/50/579519950.db2.gz SWADBWICZBBBOE-UHFFFAOYSA-N 1 2 327.837 0.925 20 30 ECEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000741288001 579770805 /nfs/dbraw/zinc/77/08/05/579770805.db2.gz LRCXJXWPWYNLNA-LFPIHBKWSA-N 1 2 349.456 0.848 20 30 ECEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000741288000 579770913 /nfs/dbraw/zinc/77/09/13/579770913.db2.gz LRCXJXWPWYNLNA-JBEBIEQOSA-N 1 2 349.456 0.848 20 30 ECEDLO C#CCOc1ccc(C(=O)N2CC[NH+](CC[S@@](C)=O)CC2)cc1 ZINC000743497144 579798496 /nfs/dbraw/zinc/79/84/96/579798496.db2.gz GPIGLHNXIBAECW-HSZRJFAPSA-N 1 2 334.441 0.835 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)CC1 ZINC000744425590 579809264 /nfs/dbraw/zinc/80/92/64/579809264.db2.gz SUEVYGNPOFXPFK-KRWDZBQOSA-N 1 2 327.384 0.578 20 30 ECEDLO C#CCN(CC#CC)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000745812206 579827770 /nfs/dbraw/zinc/82/77/70/579827770.db2.gz LTAKAOGMSTZPRF-UHFFFAOYSA-N 1 2 339.461 0.164 20 30 ECEDLO C#CCCCCNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000746433995 579839082 /nfs/dbraw/zinc/83/90/82/579839082.db2.gz DXTIGQZMJDFKSN-UHFFFAOYSA-N 1 2 347.419 0.074 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(OCC(N)=O)cc1 ZINC000747960972 579855735 /nfs/dbraw/zinc/85/57/35/579855735.db2.gz KSERVHUMEKDYIM-UHFFFAOYSA-N 1 2 346.431 0.599 20 30 ECEDLO O=C(C#CC1CC1)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000837424889 588951261 /nfs/dbraw/zinc/95/12/61/588951261.db2.gz FVRFBOGRPQIDNG-KRWDZBQOSA-N 1 2 328.412 0.984 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2N(C)C)C1 ZINC000891608755 586181701 /nfs/dbraw/zinc/18/17/01/586181701.db2.gz YMVKTEUTDXUYAP-AWEZNQCLSA-N 1 2 328.416 0.905 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2N(C)C)C1 ZINC000891608755 586181704 /nfs/dbraw/zinc/18/17/04/586181704.db2.gz YMVKTEUTDXUYAP-AWEZNQCLSA-N 1 2 328.416 0.905 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)N2CCS(=O)(=O)C[C@@H]2C2CCC2)CC1 ZINC000891819044 586199123 /nfs/dbraw/zinc/19/91/23/586199123.db2.gz ZPAPQOAQAVKQDO-MRXNPFEDSA-N 1 2 338.473 0.757 20 30 ECEDLO CS(=O)(=O)N1CC[NH+](CCNc2ccc(C#N)cc2CO)CC1 ZINC000891969052 586209732 /nfs/dbraw/zinc/20/97/32/586209732.db2.gz GMTSIAKZLSKTCK-UHFFFAOYSA-N 1 2 338.433 0.040 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cc(F)cc(OC)c2)CC1 ZINC000895919002 586212814 /nfs/dbraw/zinc/21/28/14/586212814.db2.gz QMIZFDRXIGKOHL-UHFFFAOYSA-N 1 2 341.408 0.420 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](CCc2cccc(Cl)c2)CC1 ZINC000895922776 586213436 /nfs/dbraw/zinc/21/34/36/586213436.db2.gz VZWZZUVHZNQSQV-UHFFFAOYSA-N 1 2 341.864 0.968 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000896280572 586232460 /nfs/dbraw/zinc/23/24/60/586232460.db2.gz IAZUTSVEFHRPFX-UHFFFAOYSA-N 1 2 334.441 0.907 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnc2n1CCOC2 ZINC000892224337 586236619 /nfs/dbraw/zinc/23/66/19/586236619.db2.gz UDVABIFUKMNIAI-ZDUSSCGKSA-N 1 2 339.403 0.786 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnc2n1CCOC2 ZINC000892224337 586236620 /nfs/dbraw/zinc/23/66/20/586236620.db2.gz UDVABIFUKMNIAI-ZDUSSCGKSA-N 1 2 339.403 0.786 20 30 ECEDLO Cn1c[nH+]c(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000898633320 586439967 /nfs/dbraw/zinc/43/99/67/586439967.db2.gz VDSMPRFDEIBBCT-UHFFFAOYSA-N 1 2 325.376 0.719 20 30 ECEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000843247750 589055970 /nfs/dbraw/zinc/05/59/70/589055970.db2.gz JEUTUFUWZVHJEE-IXDOHACOSA-N 1 2 349.475 0.816 20 30 ECEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000843247750 589055971 /nfs/dbraw/zinc/05/59/71/589055971.db2.gz JEUTUFUWZVHJEE-IXDOHACOSA-N 1 2 349.475 0.816 20 30 ECEDLO C[C@@H]1CC2(CC(=NNC(=S)NCC[NH+]3CCOCC3)C2)CO1 ZINC000901129915 586695800 /nfs/dbraw/zinc/69/58/00/586695800.db2.gz JRXWAGBHKKPUHH-KEKZHRQWSA-N 1 2 326.466 0.728 20 30 ECEDLO C#C[C@H](NC(=O)c1cccn1CC[NH+]1CCOCC1)[C@@H]1CCCO1 ZINC000907489345 586723271 /nfs/dbraw/zinc/72/32/71/586723271.db2.gz YAYDWQBKTJAAAH-RDJZCZTQSA-N 1 2 331.416 0.731 20 30 ECEDLO C=CCN(C(=O)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1)C(C)C ZINC000839248259 586843634 /nfs/dbraw/zinc/84/36/34/586843634.db2.gz WZKBITCPJTUFGH-UHFFFAOYSA-N 1 2 333.436 0.487 20 30 ECEDLO C#CCN(C(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C1CCCC1 ZINC000839359344 586852943 /nfs/dbraw/zinc/85/29/43/586852943.db2.gz HQZATXWHEDSNTQ-QGZVFWFLSA-N 1 2 347.459 0.714 20 30 ECEDLO CCCn1cc(C(C)=NNC(=S)NCC[NH+]2CCOCC2)nn1 ZINC000905423026 586891292 /nfs/dbraw/zinc/89/12/92/586891292.db2.gz XJYRFEYDBKYBBP-UHFFFAOYSA-N 1 2 339.469 0.208 20 30 ECEDLO CN(CCC#N)C[C@H](O)C[NH2+]Cc1ncc(Br)cn1 ZINC000905669474 586908694 /nfs/dbraw/zinc/90/86/94/586908694.db2.gz STCLYMXLCXJPFA-LLVKDONJSA-N 1 2 328.214 0.535 20 30 ECEDLO C[N@H+](CCC#N)C[C@H](O)CNCc1ncc(Br)cn1 ZINC000905669474 586908696 /nfs/dbraw/zinc/90/86/96/586908696.db2.gz STCLYMXLCXJPFA-LLVKDONJSA-N 1 2 328.214 0.535 20 30 ECEDLO C[N@@H+](CCC#N)C[C@H](O)CNCc1ncc(Br)cn1 ZINC000905669474 586908698 /nfs/dbraw/zinc/90/86/98/586908698.db2.gz STCLYMXLCXJPFA-LLVKDONJSA-N 1 2 328.214 0.535 20 30 ECEDLO C[C@H](OC(=O)c1ccc(C#N)cc1)C(=O)NCC[NH+]1CCOCC1 ZINC000805969419 586949136 /nfs/dbraw/zinc/94/91/36/586949136.db2.gz MTSGUDOFOCONAA-ZDUSSCGKSA-N 1 2 331.372 0.552 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2cccn(CC(F)(F)F)c2=O)CC1 ZINC000906675434 586965077 /nfs/dbraw/zinc/96/50/77/586965077.db2.gz XGKIKZAMNHUHLQ-UHFFFAOYSA-N 1 2 327.306 0.802 20 30 ECEDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc(C#N)ccn2)CC1 ZINC000806829516 587108733 /nfs/dbraw/zinc/10/87/33/587108733.db2.gz SAEKBTZLMKHLBH-UHFFFAOYSA-N 1 2 336.417 0.192 20 30 ECEDLO Nc1ccc(C=[NH+]Nc2ccc(S(=O)(=O)NC3CC3)cn2)cn1 ZINC000807962662 587140743 /nfs/dbraw/zinc/14/07/43/587140743.db2.gz NAWBBLMCOSYFJC-UHFFFAOYSA-N 1 2 332.389 0.946 20 30 ECEDLO CC(=O)OC1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000808740458 587160554 /nfs/dbraw/zinc/16/05/54/587160554.db2.gz PUNGYIMDHVHBIS-UHFFFAOYSA-N 1 2 337.401 0.754 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H](F)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000810214177 587191368 /nfs/dbraw/zinc/19/13/68/587191368.db2.gz QCBARSJHLDULKF-AWEZNQCLSA-N 1 2 339.411 0.969 20 30 ECEDLO O=C(NCCNC(=O)C1N=CC=CC1=O)Nc1ccn2cc[nH+]c2c1 ZINC000810227126 587191702 /nfs/dbraw/zinc/19/17/02/587191702.db2.gz RVHBYMTUFHVMFR-PFONDFGASA-N 1 2 340.343 0.982 20 30 ECEDLO CN(C)c1[nH+]cc(C=NNS(=O)(=O)c2ccc(F)cc2)n1C ZINC000811644930 587223062 /nfs/dbraw/zinc/22/30/62/587223062.db2.gz QPZDZMWAXSMVJO-UHFFFAOYSA-N 1 2 325.369 0.938 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000813376670 587252121 /nfs/dbraw/zinc/25/21/21/587252121.db2.gz STUUKPIDIUQQGD-YOEHRIQHSA-N 1 2 342.403 0.067 20 30 ECEDLO Cn1ncc(C=[NH+]Nc2ccc(S(=O)(=O)N3CCCC3)cn2)c1N ZINC000814799851 587279209 /nfs/dbraw/zinc/27/92/09/587279209.db2.gz FMDYGUQWBFAUHC-UHFFFAOYSA-N 1 2 349.420 0.628 20 30 ECEDLO CCc1ccc(C#CC(=O)NCC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000815557652 587293950 /nfs/dbraw/zinc/29/39/50/587293950.db2.gz ZPFALMSFRUNNHV-UHFFFAOYSA-N 1 2 343.427 0.165 20 30 ECEDLO C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3[nH]c[nH+]c3C2)cc1 ZINC000816651899 587318071 /nfs/dbraw/zinc/31/80/71/587318071.db2.gz TYPFWZOBCNXGFP-UHFFFAOYSA-N 1 2 344.396 0.520 20 30 ECEDLO C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3[nH+]c[nH]c3C2)cc1 ZINC000816651899 587318073 /nfs/dbraw/zinc/31/80/73/587318073.db2.gz TYPFWZOBCNXGFP-UHFFFAOYSA-N 1 2 344.396 0.520 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000818758222 587450313 /nfs/dbraw/zinc/45/03/13/587450313.db2.gz FYRHKTKUEXDAMI-CABCVRRESA-N 1 2 344.477 0.593 20 30 ECEDLO CON(C)C(=O)CC[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000819230927 587473044 /nfs/dbraw/zinc/47/30/44/587473044.db2.gz ZTXOXCZRASBCJN-NEPJUHHUSA-N 1 2 326.397 0.745 20 30 ECEDLO O=C(N[C@H]1CCN(O)C1=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000820128337 587511479 /nfs/dbraw/zinc/51/14/79/587511479.db2.gz XCYZMJQQTYSCLO-AWEZNQCLSA-N 1 2 329.360 0.715 20 30 ECEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821597756 587604480 /nfs/dbraw/zinc/60/44/80/587604480.db2.gz GLTZVWUFDVNLLA-NSHDSACASA-N 1 2 347.335 0.360 20 30 ECEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821597756 587604481 /nfs/dbraw/zinc/60/44/81/587604481.db2.gz GLTZVWUFDVNLLA-NSHDSACASA-N 1 2 347.335 0.360 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2cnn(CC(OCC)OCC)c2N)CC1 ZINC000825288032 587929548 /nfs/dbraw/zinc/92/95/48/587929548.db2.gz ZBSUBZJZRWFVBY-UHFFFAOYSA-N 1 2 349.435 0.255 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(OC)c2C)CC1 ZINC000826549193 588069188 /nfs/dbraw/zinc/06/91/88/588069188.db2.gz APZYUNLLFHRXEW-UHFFFAOYSA-N 1 2 343.427 0.901 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(OC)c2C)CC1 ZINC000826549193 588069190 /nfs/dbraw/zinc/06/91/90/588069190.db2.gz APZYUNLLFHRXEW-UHFFFAOYSA-N 1 2 343.427 0.901 20 30 ECEDLO C=CCOCCCNC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000826926804 588089811 /nfs/dbraw/zinc/08/98/11/588089811.db2.gz NJWHAFFLNNRHBM-UHFFFAOYSA-N 1 2 343.387 0.592 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3cc[nH]n3)n2C[C@H]2CCCO2)CC1 ZINC000829594975 588331351 /nfs/dbraw/zinc/33/13/51/588331351.db2.gz YVTJLTFYQMIRIV-CQSZACIVSA-N 1 2 341.419 0.602 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3cc[nH]n3)n2C[C@H]2CCOC2)CC1 ZINC000829898326 588347179 /nfs/dbraw/zinc/34/71/79/588347179.db2.gz DEJUFJZFRDDWPA-CQSZACIVSA-N 1 2 341.419 0.460 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000831472804 588427906 /nfs/dbraw/zinc/42/79/06/588427906.db2.gz NKGZKZAOOMDYDY-GFCCVEGCSA-N 1 2 335.383 0.743 20 30 ECEDLO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c32)cc1 ZINC000833305686 588534239 /nfs/dbraw/zinc/53/42/39/588534239.db2.gz VRLPJCFMKWTGGW-CQSZACIVSA-N 1 2 344.396 0.669 20 30 ECEDLO N#CCSc1ccccc1C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000847139561 589236372 /nfs/dbraw/zinc/23/63/72/589236372.db2.gz KYOOBOBGFJRPJX-CYBMUJFWSA-N 1 2 335.429 0.725 20 30 ECEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)C1 ZINC000850662301 589376995 /nfs/dbraw/zinc/37/69/95/589376995.db2.gz FCQNDNLVEGWEBI-CXAGYDPISA-N 1 2 329.404 0.888 20 30 ECEDLO C#CCCN(CCOC)C(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000850711077 589381150 /nfs/dbraw/zinc/38/11/50/589381150.db2.gz AHZFSXYTVFKJIL-HOTGVXAUSA-N 1 2 346.431 0.791 20 30 ECEDLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)CC1(C#N)CCOCC1 ZINC000851101204 589395539 /nfs/dbraw/zinc/39/55/39/589395539.db2.gz AIDDRUJDFFCOQI-GJZGRUSLSA-N 1 2 340.420 0.976 20 30 ECEDLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)CC1(C#N)CCOCC1 ZINC000851101204 589395541 /nfs/dbraw/zinc/39/55/41/589395541.db2.gz AIDDRUJDFFCOQI-GJZGRUSLSA-N 1 2 340.420 0.976 20 30 ECEDLO C[N@@H+](Cc1nc2ccccc2c(=O)n1CC#N)C[C@H]1COCCO1 ZINC000852497581 589498829 /nfs/dbraw/zinc/49/88/29/589498829.db2.gz YOEYQTUZXKLAMD-ZDUSSCGKSA-N 1 2 328.372 0.767 20 30 ECEDLO C[N@H+](Cc1nc2ccccc2c(=O)n1CC#N)C[C@H]1COCCO1 ZINC000852497581 589498831 /nfs/dbraw/zinc/49/88/31/589498831.db2.gz YOEYQTUZXKLAMD-ZDUSSCGKSA-N 1 2 328.372 0.767 20 30 ECEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000853606023 589551499 /nfs/dbraw/zinc/55/14/99/589551499.db2.gz PGWRVPFYIINPKI-CQSZACIVSA-N 1 2 339.436 0.694 20 30 ECEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000853606023 589551500 /nfs/dbraw/zinc/55/15/00/589551500.db2.gz PGWRVPFYIINPKI-CQSZACIVSA-N 1 2 339.436 0.694 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc([C@H]2CC(=O)NC(=O)N2)cc1 ZINC000856149512 589655850 /nfs/dbraw/zinc/65/58/50/589655850.db2.gz CJONXQHVGSVPAO-CABCVRRESA-N 1 2 340.383 0.993 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc([C@H]2CC(=O)NC(=O)N2)cc1 ZINC000856149512 589655852 /nfs/dbraw/zinc/65/58/52/589655852.db2.gz CJONXQHVGSVPAO-CABCVRRESA-N 1 2 340.383 0.993 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)C1=O ZINC000856557132 589667088 /nfs/dbraw/zinc/66/70/88/589667088.db2.gz FKZYCWBLWVWLLF-ARFHVFGLSA-N 1 2 328.416 0.624 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)C1=O ZINC000856557132 589667089 /nfs/dbraw/zinc/66/70/89/589667089.db2.gz FKZYCWBLWVWLLF-ARFHVFGLSA-N 1 2 328.416 0.624 20 30 ECEDLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000866769478 589773235 /nfs/dbraw/zinc/77/32/35/589773235.db2.gz LSOHVYMUKXHZCK-ZDUSSCGKSA-N 1 2 326.397 0.221 20 30 ECEDLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000866769478 589773238 /nfs/dbraw/zinc/77/32/38/589773238.db2.gz LSOHVYMUKXHZCK-ZDUSSCGKSA-N 1 2 326.397 0.221 20 30 ECEDLO CS(=O)(=O)CC[N@H+](C[C@H](O)COc1ccccc1C#N)C1CC1 ZINC000859205291 589807445 /nfs/dbraw/zinc/80/74/45/589807445.db2.gz CXQWKSXUHNMAMO-HNNXBMFYSA-N 1 2 338.429 0.807 20 30 ECEDLO CS(=O)(=O)CC[N@@H+](C[C@H](O)COc1ccccc1C#N)C1CC1 ZINC000859205291 589807446 /nfs/dbraw/zinc/80/74/46/589807446.db2.gz CXQWKSXUHNMAMO-HNNXBMFYSA-N 1 2 338.429 0.807 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000859357345 589825748 /nfs/dbraw/zinc/82/57/48/589825748.db2.gz MPYSSMQPXSZIFW-QGZVFWFLSA-N 1 2 325.412 0.926 20 30 ECEDLO Cc1ncc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCF)C2)cc1C#N ZINC000867713902 589828499 /nfs/dbraw/zinc/82/84/99/589828499.db2.gz USJKBFLLWIIVDB-CYBMUJFWSA-N 1 2 326.397 0.974 20 30 ECEDLO Cc1ncc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCF)C2)cc1C#N ZINC000867713902 589828502 /nfs/dbraw/zinc/82/85/02/589828502.db2.gz USJKBFLLWIIVDB-CYBMUJFWSA-N 1 2 326.397 0.974 20 30 ECEDLO C=C[C@H](CO)NC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000869026906 589942301 /nfs/dbraw/zinc/94/23/01/589942301.db2.gz VDNBAHDWBUWPSB-GFCCVEGCSA-N 1 2 327.425 0.639 20 30 ECEDLO C#CC[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000862565399 589943515 /nfs/dbraw/zinc/94/35/15/589943515.db2.gz RWKDIMFRTRGHTI-CVEARBPZSA-N 1 2 333.432 0.039 20 30 ECEDLO CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000869129442 589949103 /nfs/dbraw/zinc/94/91/03/589949103.db2.gz NYFNJPPNOUZRLE-ZNNBYXKUSA-N 1 2 329.400 0.938 20 30 ECEDLO N#Cc1ccc(F)c(C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000870059918 589993083 /nfs/dbraw/zinc/99/30/83/589993083.db2.gz OFKSGUPPUGPWJG-CQSZACIVSA-N 1 2 333.363 0.871 20 30 ECEDLO C[N@@H+]1CCn2nc(NC(=O)C(=O)N(CCC#N)CC3CC3)cc2C1 ZINC000873822648 590203881 /nfs/dbraw/zinc/20/38/81/590203881.db2.gz FZOICTWLGBVRBW-UHFFFAOYSA-N 1 2 330.392 0.419 20 30 ECEDLO C[N@H+]1CCn2nc(NC(=O)C(=O)N(CCC#N)CC3CC3)cc2C1 ZINC000873822648 590203882 /nfs/dbraw/zinc/20/38/82/590203882.db2.gz FZOICTWLGBVRBW-UHFFFAOYSA-N 1 2 330.392 0.419 20 30 ECEDLO C#CCN(C(=O)C[N@H+](C)CCc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000874147966 590222841 /nfs/dbraw/zinc/22/28/41/590222841.db2.gz PUDXGMJNOWRBNY-KRWDZBQOSA-N 1 2 348.468 0.810 20 30 ECEDLO C#CCN(C(=O)C[N@@H+](C)CCc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000874147966 590222842 /nfs/dbraw/zinc/22/28/42/590222842.db2.gz PUDXGMJNOWRBNY-KRWDZBQOSA-N 1 2 348.468 0.810 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000874999950 590262116 /nfs/dbraw/zinc/26/21/16/590262116.db2.gz KCEGONVVPLXKHF-ZDUSSCGKSA-N 1 2 328.372 0.495 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000875058392 590266172 /nfs/dbraw/zinc/26/61/72/590266172.db2.gz NBLZRXOSQIQBDI-AWEZNQCLSA-N 1 2 332.404 0.308 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000875121049 590272652 /nfs/dbraw/zinc/27/26/52/590272652.db2.gz MDYBVZYOXYPTNA-MRXNPFEDSA-N 1 2 329.400 0.273 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000875288320 590290170 /nfs/dbraw/zinc/29/01/70/590290170.db2.gz SQFWMXSEEOBWMB-NVXWUHKLSA-N 1 2 343.427 0.834 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000875288320 590290173 /nfs/dbraw/zinc/29/01/73/590290173.db2.gz SQFWMXSEEOBWMB-NVXWUHKLSA-N 1 2 343.427 0.834 20 30 ECEDLO COC(=O)CNC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879585881 590326243 /nfs/dbraw/zinc/32/62/43/590326243.db2.gz PUJAWKNEXJPKQK-ZDUSSCGKSA-N 1 2 330.388 0.358 20 30 ECEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]3OCCNC(=O)[C@@H]32)cc1 ZINC000879716569 590336627 /nfs/dbraw/zinc/33/66/27/590336627.db2.gz OGWDZUAKKMJKJA-HYVNUMGLSA-N 1 2 345.399 0.277 20 30 ECEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]3OCCNC(=O)[C@@H]32)cc1 ZINC000879716569 590336629 /nfs/dbraw/zinc/33/66/29/590336629.db2.gz OGWDZUAKKMJKJA-HYVNUMGLSA-N 1 2 345.399 0.277 20 30 ECEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000875864288 590341120 /nfs/dbraw/zinc/34/11/20/590341120.db2.gz QPMBJHAVTVONEF-ZDUSSCGKSA-N 1 2 325.409 0.304 20 30 ECEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000875864288 590341123 /nfs/dbraw/zinc/34/11/23/590341123.db2.gz QPMBJHAVTVONEF-ZDUSSCGKSA-N 1 2 325.409 0.304 20 30 ECEDLO C#CCC[C@H](O)CNC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000875886735 590342712 /nfs/dbraw/zinc/34/27/12/590342712.db2.gz WFKWOZATDMQPEB-IRXDYDNUSA-N 1 2 346.431 0.356 20 30 ECEDLO C#CCC[C@H](O)CNC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000875886735 590342716 /nfs/dbraw/zinc/34/27/16/590342716.db2.gz WFKWOZATDMQPEB-IRXDYDNUSA-N 1 2 346.431 0.356 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CSCC(=O)Nc2cc(C)on2)CC1 ZINC000128181721 590366302 /nfs/dbraw/zinc/36/63/02/590366302.db2.gz SUFNRYZSYRTFBW-UHFFFAOYSA-N 1 2 336.417 0.432 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)CC1 ZINC000128373102 590386671 /nfs/dbraw/zinc/38/66/71/590386671.db2.gz LNZCZWBDCIZUGL-HNNXBMFYSA-N 1 2 341.411 0.826 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000128416859 590393361 /nfs/dbraw/zinc/39/33/61/590393361.db2.gz OWKLTJHSOZINPJ-UHFFFAOYSA-N 1 2 347.440 0.618 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)nn1 ZINC000881229247 590441283 /nfs/dbraw/zinc/44/12/83/590441283.db2.gz FLUXMTJMPMSOJQ-CYBMUJFWSA-N 1 2 341.419 0.619 20 30 ECEDLO C=CC[N@@H+](C[C@@H](O)CC1(CO)CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000878241268 590508934 /nfs/dbraw/zinc/50/89/34/590508934.db2.gz DAJDJTSLMOYAKK-CABCVRRESA-N 1 2 331.478 0.965 20 30 ECEDLO C=CC[N@H+](C[C@@H](O)CC1(CO)CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000878241268 590508936 /nfs/dbraw/zinc/50/89/36/590508936.db2.gz DAJDJTSLMOYAKK-CABCVRRESA-N 1 2 331.478 0.965 20 30 ECEDLO CC(C)C(=O)N(C)Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000882173862 590523969 /nfs/dbraw/zinc/52/39/69/590523969.db2.gz NFIFLMFTUVVYHE-UHFFFAOYSA-N 1 2 332.404 0.624 20 30 ECEDLO N#Cc1ccc([C@@H](O)C[NH+]2CCN(CC(F)(F)CO)CC2)cc1 ZINC000878831179 590545583 /nfs/dbraw/zinc/54/55/83/590545583.db2.gz BFBVZJFVSURCCY-HNNXBMFYSA-N 1 2 325.359 0.837 20 30 ECEDLO CC[N@@H+]1CC[C@H]1CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000882483538 590553948 /nfs/dbraw/zinc/55/39/48/590553948.db2.gz DJEYDEJAQSHIOR-HNNXBMFYSA-N 1 2 335.429 0.683 20 30 ECEDLO CC[N@H+]1CC[C@H]1CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000882483538 590553949 /nfs/dbraw/zinc/55/39/49/590553949.db2.gz DJEYDEJAQSHIOR-HNNXBMFYSA-N 1 2 335.429 0.683 20 30 ECEDLO C#CCC1(O)CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000882522964 590559850 /nfs/dbraw/zinc/55/98/50/590559850.db2.gz GOTZKXDXYDPUFS-UHFFFAOYSA-N 1 2 342.443 0.580 20 30 ECEDLO C#CC1(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCC1 ZINC000882535395 590560421 /nfs/dbraw/zinc/56/04/21/590560421.db2.gz DIRKCYXBRFCQIL-HNNXBMFYSA-N 1 2 333.432 0.229 20 30 ECEDLO CC(C)(C#N)c1ccccc1Cn1cc(C[NH+](CCO)CCO)nn1 ZINC000884000402 590701214 /nfs/dbraw/zinc/70/12/14/590701214.db2.gz UPIJUXOFIRONDF-UHFFFAOYSA-N 1 2 343.431 0.914 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)C[C@@H](OC)C2CCOCC2)C1 ZINC000885508310 590729311 /nfs/dbraw/zinc/72/93/11/590729311.db2.gz FHEFOWMNGMUKTR-HZPDHXFCSA-N 1 2 344.477 0.445 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)C[C@@H](OC)C2CCOCC2)C1 ZINC000885508310 590729313 /nfs/dbraw/zinc/72/93/13/590729313.db2.gz FHEFOWMNGMUKTR-HZPDHXFCSA-N 1 2 344.477 0.445 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc3c(c2)nnn3C)C1 ZINC000885509674 590729318 /nfs/dbraw/zinc/72/93/18/590729318.db2.gz WFODFBUODRTBLD-GFCCVEGCSA-N 1 2 333.417 0.344 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc3c(c2)nnn3C)C1 ZINC000885509674 590729320 /nfs/dbraw/zinc/72/93/20/590729320.db2.gz WFODFBUODRTBLD-GFCCVEGCSA-N 1 2 333.417 0.344 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc3c2OCCO3)C1 ZINC000885511083 590729341 /nfs/dbraw/zinc/72/93/41/590729341.db2.gz BPIIQEMPHCPKPT-ZDUSSCGKSA-N 1 2 336.413 0.834 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc3c2OCCO3)C1 ZINC000885511083 590729342 /nfs/dbraw/zinc/72/93/42/590729342.db2.gz BPIIQEMPHCPKPT-ZDUSSCGKSA-N 1 2 336.413 0.834 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC000885512409 590729676 /nfs/dbraw/zinc/72/96/76/590729676.db2.gz VRTKEDBSFUJJKQ-NSHDSACASA-N 1 2 332.376 0.524 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cnn(CC(F)F)c2)C1 ZINC000885512409 590729681 /nfs/dbraw/zinc/72/96/81/590729681.db2.gz VRTKEDBSFUJJKQ-NSHDSACASA-N 1 2 332.376 0.524 20 30 ECEDLO NC(C[NH+]1CCSCC1)=NOCC(=O)NCc1cccs1 ZINC000136085104 590745145 /nfs/dbraw/zinc/74/51/45/590745145.db2.gz VRBWTIBSBGLUTJ-UHFFFAOYSA-N 1 2 328.463 0.702 20 30 ECEDLO CC(C)NC(=O)C(=O)N1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000885928885 590782101 /nfs/dbraw/zinc/78/21/01/590782101.db2.gz HGCVIMLHVXZUQA-AWEZNQCLSA-N 1 2 336.436 0.100 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](C(C)(C)C(=O)OC)C1 ZINC000884379011 590816310 /nfs/dbraw/zinc/81/63/10/590816310.db2.gz LGIZIFPAYKRADQ-STQMWFEESA-N 1 2 340.420 0.871 20 30 ECEDLO COC(=O)[C@@H]1CSCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000887079345 590938958 /nfs/dbraw/zinc/93/89/58/590938958.db2.gz PDQBAKGXECBCNQ-OLZOCXBDSA-N 1 2 328.434 0.648 20 30 ECEDLO COC(=O)[C@@H]1CSCC[N@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000887079345 590938960 /nfs/dbraw/zinc/93/89/60/590938960.db2.gz PDQBAKGXECBCNQ-OLZOCXBDSA-N 1 2 328.434 0.648 20 30 ECEDLO COc1cccc(/C=[NH+]\CCc2nnc3c(=O)n(C)ccn23)c1O ZINC000887270011 590955990 /nfs/dbraw/zinc/95/59/90/590955990.db2.gz FTNMCHICWLVWLT-YVLHZVERSA-N 1 2 327.344 0.804 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)c1 ZINC000947997374 611374780 /nfs/dbraw/zinc/37/47/80/611374780.db2.gz ZRIAOVAJCNDQDR-UHFFFAOYSA-N 1 2 326.360 0.573 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2OC)C1 ZINC000946635430 611379066 /nfs/dbraw/zinc/37/90/66/611379066.db2.gz QDDYLJTVUXOSFS-ZIAGYGMSSA-N 1 2 332.404 0.651 20 30 ECEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000925616836 611492897 /nfs/dbraw/zinc/49/28/97/611492897.db2.gz OJHFDCNRROFEMC-HRCADAONSA-N 1 2 337.468 0.725 20 30 ECEDLO COC1(OC)CC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1O ZINC000931642521 611560523 /nfs/dbraw/zinc/56/05/23/611560523.db2.gz VCZAXOJNEZIHDI-INIZCTEOSA-N 1 2 347.415 0.989 20 30 ECEDLO COC1(OC)CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1O ZINC000931642521 611560526 /nfs/dbraw/zinc/56/05/26/611560526.db2.gz VCZAXOJNEZIHDI-INIZCTEOSA-N 1 2 347.415 0.989 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)c2cccc(O)c2)CC1 ZINC000932038123 611594810 /nfs/dbraw/zinc/59/48/10/611594810.db2.gz HXJAPLPUCVDVQU-HNNXBMFYSA-N 1 2 343.427 0.779 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)c2cccc(O)c2)CC1 ZINC000932038123 611594813 /nfs/dbraw/zinc/59/48/13/611594813.db2.gz HXJAPLPUCVDVQU-HNNXBMFYSA-N 1 2 343.427 0.779 20 30 ECEDLO CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000937354499 608611938 /nfs/dbraw/zinc/61/19/38/608611938.db2.gz ZYCFVSVUBGUOCN-HZPDHXFCSA-N 1 2 340.427 0.918 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)C(C)(C)C)C1 ZINC000936916480 608735114 /nfs/dbraw/zinc/73/51/14/608735114.db2.gz LDHPQTIPPVMVAN-CABCVRRESA-N 1 2 347.459 0.759 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)C(C)(C)C)C1 ZINC000936916480 608735116 /nfs/dbraw/zinc/73/51/16/608735116.db2.gz LDHPQTIPPVMVAN-CABCVRRESA-N 1 2 347.459 0.759 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCN2C(=O)CCc2[nH]cc[nH+]2)nn1 ZINC000950052620 608959947 /nfs/dbraw/zinc/95/99/47/608959947.db2.gz KRASWGJXQQUYBB-LBPRGKRZSA-N 1 2 343.391 0.151 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cn(C)nn3)[C@@H](C)C2)nn1 ZINC000947792703 611692229 /nfs/dbraw/zinc/69/22/29/611692229.db2.gz QSSNJOZVTOFGJB-QWHCGFSZSA-N 1 2 344.423 0.376 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cn(C)nn3)[C@@H](C)C2)nn1 ZINC000947792703 611692232 /nfs/dbraw/zinc/69/22/32/611692232.db2.gz QSSNJOZVTOFGJB-QWHCGFSZSA-N 1 2 344.423 0.376 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nn3)[C@H](C)C2)nn1 ZINC000947792702 611692347 /nfs/dbraw/zinc/69/23/47/611692347.db2.gz QSSNJOZVTOFGJB-OLZOCXBDSA-N 1 2 344.423 0.376 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cn(C)nn3)[C@H](C)C2)nn1 ZINC000947792702 611692350 /nfs/dbraw/zinc/69/23/50/611692350.db2.gz QSSNJOZVTOFGJB-OLZOCXBDSA-N 1 2 344.423 0.376 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(=O)n(C)c3)n2CC)CC1 ZINC000908890663 609665978 /nfs/dbraw/zinc/66/59/78/609665978.db2.gz BVANVUQDBIOTPE-UHFFFAOYSA-N 1 2 326.404 0.419 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cn1 ZINC000921323473 609707065 /nfs/dbraw/zinc/70/70/65/609707065.db2.gz IKVBVXAAWMVIRA-ZIAGYGMSSA-N 1 2 338.458 0.811 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)cn1 ZINC000921323473 609707067 /nfs/dbraw/zinc/70/70/67/609707067.db2.gz IKVBVXAAWMVIRA-ZIAGYGMSSA-N 1 2 338.458 0.811 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000938387442 609769220 /nfs/dbraw/zinc/76/92/20/609769220.db2.gz PPPRKLFQFBORDT-LBPRGKRZSA-N 1 2 326.360 0.491 20 30 ECEDLO C=CCn1cc(CNC(=O)c2cccn2CC[NH+]2CCOCC2)nn1 ZINC000911277819 609836196 /nfs/dbraw/zinc/83/61/96/609836196.db2.gz CYGJCTMXGWLYNQ-UHFFFAOYSA-N 1 2 344.419 0.528 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000938604434 609896447 /nfs/dbraw/zinc/89/64/47/609896447.db2.gz VJQPMNRCXADJPS-ZNMIVQPWSA-N 1 2 346.431 0.993 20 30 ECEDLO C[C@@H](CNC(=O)NCCNc1ccc(C#N)cn1)[NH+]1CCOCC1 ZINC000916438552 609939586 /nfs/dbraw/zinc/93/95/86/609939586.db2.gz OXBKBQKUBKXJBN-ZDUSSCGKSA-N 1 2 332.408 0.385 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc(C)o3)C2)nn1 ZINC000939276592 610146147 /nfs/dbraw/zinc/14/61/47/610146147.db2.gz GLTRIRZZEPMDIX-ZYHUDNBSSA-N 1 2 331.380 0.406 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000940063087 610199042 /nfs/dbraw/zinc/19/90/42/610199042.db2.gz YEFZRWQABSTMPI-DGCLKSJQSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000940063087 610199044 /nfs/dbraw/zinc/19/90/44/610199044.db2.gz YEFZRWQABSTMPI-DGCLKSJQSA-N 1 2 340.387 0.819 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC000940383031 610277524 /nfs/dbraw/zinc/27/75/24/610277524.db2.gz DKQWNMQSAJVGJD-NGFQHRJXSA-N 1 2 332.404 0.506 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnc4cc(C)ccn34)CC2)C1 ZINC000941419923 610305973 /nfs/dbraw/zinc/30/59/73/610305973.db2.gz LLDTVMSQLLCNHO-UHFFFAOYSA-N 1 2 337.427 0.718 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3snnc3C3CC3)CC2)C1 ZINC000941444167 610309327 /nfs/dbraw/zinc/30/93/27/610309327.db2.gz HUVYPOGWTLSQEK-UHFFFAOYSA-N 1 2 331.445 0.491 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(OC)nc(OC)c3)CC2)C1 ZINC000941475650 610331978 /nfs/dbraw/zinc/33/19/78/610331978.db2.gz RZLJXKCOLIHVKG-UHFFFAOYSA-N 1 2 344.415 0.174 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC000940691395 610332074 /nfs/dbraw/zinc/33/20/74/610332074.db2.gz CYJNJPCSNMBCLF-GFCCVEGCSA-N 1 2 343.391 0.151 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cn4ccc(C)cc4n3)CC2)C1 ZINC000941476288 610332633 /nfs/dbraw/zinc/33/26/33/610332633.db2.gz WNTAJZMLDAPIIA-UHFFFAOYSA-N 1 2 337.427 0.718 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCN(C3CN(CC#N)C3)CC1)C2 ZINC000941465997 610334478 /nfs/dbraw/zinc/33/44/78/610334478.db2.gz RFRYTDSHWPQRML-CQSZACIVSA-N 1 2 342.447 0.175 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCN(C3CN(CC#N)C3)CC1)CC2 ZINC000941465997 610334479 /nfs/dbraw/zinc/33/44/79/610334479.db2.gz RFRYTDSHWPQRML-CQSZACIVSA-N 1 2 342.447 0.175 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000940711221 610340231 /nfs/dbraw/zinc/34/02/31/610340231.db2.gz VZRLIJOIILIQQO-MIGQKNRLSA-N 1 2 346.431 0.897 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000940718676 610345610 /nfs/dbraw/zinc/34/56/10/610345610.db2.gz HALWYAHNJGHQFN-KMFMINBZSA-N 1 2 346.431 0.661 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4cccnc43)CC2)C1 ZINC000941537930 610357569 /nfs/dbraw/zinc/35/75/69/610357569.db2.gz QZSUKJXTNOTAPY-GOSISDBHSA-N 1 2 338.455 0.963 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3ccc(F)c(F)c3)CC2)C1 ZINC000941538830 610358207 /nfs/dbraw/zinc/35/82/07/610358207.db2.gz LVGDUUVAXXRTJP-UHFFFAOYSA-N 1 2 333.382 0.969 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnn(CCC)c3)CC2)C1 ZINC000941590334 610399249 /nfs/dbraw/zinc/39/92/49/610399249.db2.gz LTDIVFTUCTYNKO-UHFFFAOYSA-N 1 2 329.448 0.758 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3n[nH]c4c3C[C@H](C)CC4)CC2)C1 ZINC000941627647 610416483 /nfs/dbraw/zinc/41/64/83/610416483.db2.gz ISDCOXWGHOAJNK-CQSZACIVSA-N 1 2 341.459 0.610 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc4c(s3)CCOC4)CC2)C1 ZINC000941640865 610417133 /nfs/dbraw/zinc/41/71/33/610417133.db2.gz HKDPZIKRNKYQMH-UHFFFAOYSA-N 1 2 345.468 0.896 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)c1 ZINC000942370743 610419405 /nfs/dbraw/zinc/41/94/05/610419405.db2.gz SLCINTJQEVFVQH-MRXNPFEDSA-N 1 2 337.383 0.680 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@]3(C)CCN(C(C)=O)C3)CC2)C1 ZINC000941634454 610420107 /nfs/dbraw/zinc/42/01/07/610420107.db2.gz GZEFGWZHBZIMET-IBGZPJMESA-N 1 2 346.475 0.097 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3conc3COC)CC2)C1 ZINC000941636143 610421940 /nfs/dbraw/zinc/42/19/40/610421940.db2.gz CVRYABKFXUPTQJ-UHFFFAOYSA-N 1 2 332.404 0.286 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccc(OC(C)C)n3)CC2)C1 ZINC000941620194 610425338 /nfs/dbraw/zinc/42/53/38/610425338.db2.gz CFKXWPVMHHQBAR-UHFFFAOYSA-N 1 2 342.443 0.944 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3ccccc3OC)CC2)C1 ZINC000941660355 610433450 /nfs/dbraw/zinc/43/34/50/610433450.db2.gz KJRMSRZNSYFPLJ-UHFFFAOYSA-N 1 2 327.428 0.699 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)c1 ZINC000941679633 610452621 /nfs/dbraw/zinc/45/26/21/610452621.db2.gz UCOWYDGVLQKBRS-OAHLLOKOSA-N 1 2 337.383 0.370 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cn1 ZINC000941879116 610550308 /nfs/dbraw/zinc/55/03/08/610550308.db2.gz CMUQZIHVNSTBLZ-BZUAXINKSA-N 1 2 349.394 0.920 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cn1 ZINC000941879116 610550310 /nfs/dbraw/zinc/55/03/10/610550310.db2.gz CMUQZIHVNSTBLZ-BZUAXINKSA-N 1 2 349.394 0.920 20 30 ECEDLO C[C@H]1C[N@H+](Cc2cn(C)nn2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941929454 610566804 /nfs/dbraw/zinc/56/68/04/610566804.db2.gz MNHSAORWMPQRDR-FZMZJTMJSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@H]1C[N@@H+](Cc2cn(C)nn2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941929454 610566806 /nfs/dbraw/zinc/56/68/06/610566806.db2.gz MNHSAORWMPQRDR-FZMZJTMJSA-N 1 2 327.392 0.655 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2CCCCN(C(=O)Cc3[nH]cc[nH+]3)C2)[nH]1 ZINC000943186323 610739726 /nfs/dbraw/zinc/73/97/26/610739726.db2.gz CPQYHTLGPJLKRW-CYBMUJFWSA-N 1 2 340.387 0.963 20 30 ECEDLO C[C@@H]1CN(CC#N)CC[C@H]1NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000943252514 610775120 /nfs/dbraw/zinc/77/51/20/610775120.db2.gz BGZCNWYUKVYSFH-HZPDHXFCSA-N 1 2 334.464 0.982 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cn(C)nn3)C[C@@H]2C)nc1 ZINC000944191846 610775935 /nfs/dbraw/zinc/77/59/35/610775935.db2.gz GJMJQTKMFXMALN-XJKSGUPXSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cn(C)nn3)C[C@@H]2C)nc1 ZINC000944191846 610775938 /nfs/dbraw/zinc/77/59/38/610775938.db2.gz GJMJQTKMFXMALN-XJKSGUPXSA-N 1 2 338.415 0.832 20 30 ECEDLO CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC000944222401 610793825 /nfs/dbraw/zinc/79/38/25/610793825.db2.gz MSRNGSDSLUMXSB-HUUCEWRRSA-N 1 2 330.388 0.016 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3nonc3C)C[C@@H]2C)nn1 ZINC000943480658 610867965 /nfs/dbraw/zinc/86/79/65/610867965.db2.gz FJNQOJBUFSAJHE-WCQYABFASA-N 1 2 345.407 0.796 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3nonc3C)C[C@@H]2C)nn1 ZINC000943480658 610867966 /nfs/dbraw/zinc/86/79/66/610867966.db2.gz FJNQOJBUFSAJHE-WCQYABFASA-N 1 2 345.407 0.796 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC000944427197 610868045 /nfs/dbraw/zinc/86/80/45/610868045.db2.gz BLKOKTMDDKRRQG-CYBMUJFWSA-N 1 2 329.404 0.953 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnon3)C[C@H]2C)nn1 ZINC000943499747 610885263 /nfs/dbraw/zinc/88/52/63/610885263.db2.gz UNSAQLBPNHKALT-TZMCWYRMSA-N 1 2 345.407 0.878 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cnon3)C[C@H]2C)nn1 ZINC000943499747 610885265 /nfs/dbraw/zinc/88/52/65/610885265.db2.gz UNSAQLBPNHKALT-TZMCWYRMSA-N 1 2 345.407 0.878 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000943552056 610899463 /nfs/dbraw/zinc/89/94/63/610899463.db2.gz XTNQZFAWRGZGOX-XHSDSOJGSA-N 1 2 346.431 0.972 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)Cc2[nH]cc[nH+]2)[nH]1 ZINC000946292626 611200789 /nfs/dbraw/zinc/20/07/89/611200789.db2.gz KJMBLRGVXSNSON-YPMHNXCESA-N 1 2 340.387 0.867 20 30 ECEDLO C#CC[C@H]1CCCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000834543077 611291332 /nfs/dbraw/zinc/29/13/32/611291332.db2.gz MYRUPKVLPSXEEA-DLBZAZTESA-N 1 2 349.475 0.721 20 30 ECEDLO O=C(C[NH+]1CCC2(CC1)CC(=O)C=CO2)NC(=O)NCC(F)(F)F ZINC000933653170 611739209 /nfs/dbraw/zinc/73/92/09/611739209.db2.gz DIEIOVIMTAYPIY-UHFFFAOYSA-N 1 2 349.309 0.712 20 30 ECEDLO C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000948985117 611785576 /nfs/dbraw/zinc/78/55/76/611785576.db2.gz CMWNAEQHMYGHAQ-HOTGVXAUSA-N 1 2 347.440 0.027 20 30 ECEDLO C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000948985117 611785577 /nfs/dbraw/zinc/78/55/77/611785577.db2.gz CMWNAEQHMYGHAQ-HOTGVXAUSA-N 1 2 347.440 0.027 20 30 ECEDLO O=C(C#CC1CC1)N1CCC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000950764600 611896082 /nfs/dbraw/zinc/89/60/82/611896082.db2.gz RNYYYPGYAGAPOU-HOTGVXAUSA-N 1 2 340.427 0.966 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CC1)C[N@H+](CC(=O)N(C)C1CC1)CCO2 ZINC000949320647 611938551 /nfs/dbraw/zinc/93/85/51/611938551.db2.gz QULAZNHKRPEKTI-CQSZACIVSA-N 1 2 348.447 0.460 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CC1)C[N@@H+](CC(=O)N(C)C1CC1)CCO2 ZINC000949320647 611938554 /nfs/dbraw/zinc/93/85/54/611938554.db2.gz QULAZNHKRPEKTI-CQSZACIVSA-N 1 2 348.447 0.460 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cnc4[nH]cnc4c3)CC2)C1 ZINC000949375657 611956165 /nfs/dbraw/zinc/95/61/65/611956165.db2.gz HOTGEXPWFATJIN-UHFFFAOYSA-N 1 2 339.399 0.898 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cnc4[nH]cnc4c3)CC2)C1 ZINC000949375657 611956167 /nfs/dbraw/zinc/95/61/67/611956167.db2.gz HOTGEXPWFATJIN-UHFFFAOYSA-N 1 2 339.399 0.898 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000949387939 611961126 /nfs/dbraw/zinc/96/11/26/611961126.db2.gz WWUBXQGDXITLDZ-UKRRQHHQSA-N 1 2 343.431 0.960 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3COCCN3CC)CC2)C1 ZINC000949401904 611966054 /nfs/dbraw/zinc/96/60/54/611966054.db2.gz PKPVGBLVSCYIFD-MRXNPFEDSA-N 1 2 335.448 0.034 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3COCCN3CC)CC2)C1 ZINC000949401904 611966056 /nfs/dbraw/zinc/96/60/56/611966056.db2.gz PKPVGBLVSCYIFD-MRXNPFEDSA-N 1 2 335.448 0.034 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)Cn3cc(Cl)cn3)CC2)C1 ZINC000949482776 611998023 /nfs/dbraw/zinc/99/80/23/611998023.db2.gz DMLCHKVMYCRZPI-UHFFFAOYSA-N 1 2 336.823 0.863 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)Cn3cc(Cl)cn3)CC2)C1 ZINC000949482776 611998024 /nfs/dbraw/zinc/99/80/24/611998024.db2.gz DMLCHKVMYCRZPI-UHFFFAOYSA-N 1 2 336.823 0.863 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CCN2C(=O)CCc2c[nH]c[nH+]2)c[nH]1 ZINC000949486505 612000631 /nfs/dbraw/zinc/00/06/31/612000631.db2.gz YLIYOYQLFHASFI-CQSZACIVSA-N 1 2 326.360 0.573 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CCN2C(=O)CCc2c[nH+]c[nH]2)c[nH]1 ZINC000949486505 612000634 /nfs/dbraw/zinc/00/06/34/612000634.db2.gz YLIYOYQLFHASFI-CQSZACIVSA-N 1 2 326.360 0.573 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cnc4cccnn43)CC2)C1 ZINC000949489442 612002404 /nfs/dbraw/zinc/00/24/04/612002404.db2.gz DIZSTMJGEUFLBB-UHFFFAOYSA-N 1 2 339.399 0.670 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cnc4cccnn43)CC2)C1 ZINC000949489442 612002405 /nfs/dbraw/zinc/00/24/05/612002405.db2.gz DIZSTMJGEUFLBB-UHFFFAOYSA-N 1 2 339.399 0.670 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000949492000 612004409 /nfs/dbraw/zinc/00/44/09/612004409.db2.gz WJYJIPGGVOQPEH-CYBMUJFWSA-N 1 2 326.360 0.193 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](C)N3CCCCC3=O)CC2)C1 ZINC000949529480 612022664 /nfs/dbraw/zinc/02/26/64/612022664.db2.gz VYVZWYVAVFSEAO-MRXNPFEDSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](C)N3CCCCC3=O)CC2)C1 ZINC000949529480 612022666 /nfs/dbraw/zinc/02/26/66/612022666.db2.gz VYVZWYVAVFSEAO-MRXNPFEDSA-N 1 2 347.459 0.714 20 30 ECEDLO N#Cc1cc(C(=O)N2CCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)c[nH]1 ZINC000950518273 612049978 /nfs/dbraw/zinc/04/99/78/612049978.db2.gz YEVLOSCONLJVHH-ZDUSSCGKSA-N 1 2 326.360 0.504 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000952031903 612190217 /nfs/dbraw/zinc/19/02/17/612190217.db2.gz SFWXXCSGLKNAPF-KBPBESRZSA-N 1 2 326.400 0.960 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000953197381 612200891 /nfs/dbraw/zinc/20/08/91/612200891.db2.gz UTVCDXPVLMYFJC-RHSMWYFYSA-N 1 2 329.404 0.884 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000952151897 612250931 /nfs/dbraw/zinc/25/09/31/612250931.db2.gz WLGMSAYLRRKMSY-YUELXQCFSA-N 1 2 332.404 0.651 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@H]21 ZINC000953330709 612252170 /nfs/dbraw/zinc/25/21/70/612252170.db2.gz FWDKGFCHASMZSY-DOTOQJQBSA-N 1 2 340.427 0.825 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000952174561 612264702 /nfs/dbraw/zinc/26/47/02/612264702.db2.gz NQSFRGHTEJXXNY-GUTXKFCHSA-N 1 2 332.404 0.569 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC000951493965 612269161 /nfs/dbraw/zinc/26/91/61/612269161.db2.gz GVGKJMVPNOJVDH-INIZCTEOSA-N 1 2 337.383 0.680 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC000953990872 612528935 /nfs/dbraw/zinc/52/89/35/612528935.db2.gz BSHCRFVJAKGYMI-UHFFFAOYSA-N 1 2 326.360 0.443 20 30 ECEDLO C[C@]1(NC(=O)c2cc(C#N)c[nH]2)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000956803340 612566285 /nfs/dbraw/zinc/56/62/85/612566285.db2.gz AAKXRJKYPDVFPL-INIZCTEOSA-N 1 2 326.360 0.504 20 30 ECEDLO C#Cc1ccccc1CC(=O)N1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000955443267 612590514 /nfs/dbraw/zinc/59/05/14/612590514.db2.gz SAICZAOCDQEZIG-UHFFFAOYSA-N 1 2 336.395 0.845 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@](C)(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000956841368 612614364 /nfs/dbraw/zinc/61/43/64/612614364.db2.gz HVXHCXOOOZZCCK-KRWDZBQOSA-N 1 2 340.387 0.881 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC000956119720 612723361 /nfs/dbraw/zinc/72/33/61/612723361.db2.gz DBRSBSKKDYHJPB-XHSDSOJGSA-N 1 2 346.431 0.972 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)COC)CC2)C1 ZINC000956579329 612916829 /nfs/dbraw/zinc/91/68/29/612916829.db2.gz XHDAZCJLLAKWOK-MAUKXSAKSA-N 1 2 337.464 0.980 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)C3=COCCC3)CC2)C1 ZINC000956587900 612919581 /nfs/dbraw/zinc/91/95/81/612919581.db2.gz KHJUQJBDFXCYDR-GDBMZVCRSA-N 1 2 346.431 0.585 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)CC(C)(C)O)C2)CC1 ZINC000956606422 612924777 /nfs/dbraw/zinc/92/47/77/612924777.db2.gz RWNBILIEKCRORY-KGLIPLIRSA-N 1 2 336.436 0.052 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC000969316282 731709624 /nfs/dbraw/zinc/70/96/24/731709624.db2.gz YSCJANGBDHYNFF-QXSJWSMHSA-N 1 2 344.415 0.676 20 30 ECEDLO C[C@H](NC(=O)[C@H]1CCC(=O)N1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969409434 731816429 /nfs/dbraw/zinc/81/64/29/731816429.db2.gz HJNVVUAFWOPGAQ-MEDUHNTESA-N 1 2 344.390 0.912 20 30 ECEDLO CCn1nncc1C[NH+]1CC([C@@H](C)NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000969526471 731948318 /nfs/dbraw/zinc/94/83/18/731948318.db2.gz MOCWVOPOROXFOC-LLVKDONJSA-N 1 2 327.392 0.748 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@@H]([NH+]2CCN(c3ncccn3)CC2)C1 ZINC001111965185 738565753 /nfs/dbraw/zinc/56/57/53/738565753.db2.gz TZEWDHWZIPKJDO-MRXNPFEDSA-N 1 2 345.447 0.792 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@H]1O ZINC001078081966 782274156 /nfs/dbraw/zinc/27/41/56/782274156.db2.gz ABSGJUUHCZYDFZ-QZTJIDSGSA-N 1 2 339.395 0.868 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@H]1O ZINC001078081966 782274164 /nfs/dbraw/zinc/27/41/64/782274164.db2.gz ABSGJUUHCZYDFZ-QZTJIDSGSA-N 1 2 339.395 0.868 20 30 ECEDLO C[C@H](NC(=O)c1nnn(C)n1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970290280 733315599 /nfs/dbraw/zinc/31/55/99/733315599.db2.gz XKMLGQZZLMQPKF-JTQLQIEISA-N 1 2 343.366 0.471 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H](C)C2C[NH+](Cc3cncn3C)C2)nn1 ZINC000970553448 733669465 /nfs/dbraw/zinc/66/94/65/733669465.db2.gz WMWCSOASHUTKJG-ZDUSSCGKSA-N 1 2 343.435 0.838 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H](C)C2C[NH+](CC(=O)NC3CC3)C2)cn1 ZINC000970766922 733924296 /nfs/dbraw/zinc/92/42/96/733924296.db2.gz NLIFISJOJKBRNB-GFCCVEGCSA-N 1 2 326.400 0.392 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC000970957082 734122754 /nfs/dbraw/zinc/12/27/54/734122754.db2.gz PFMVXOONEFIZEG-NEPJUHHUSA-N 1 2 340.811 0.419 20 30 ECEDLO N#Cc1ccc(N2CCO[C@H](CNC(=O)CCc3[nH]cc[nH+]3)C2)nn1 ZINC001104308400 734199423 /nfs/dbraw/zinc/19/94/23/734199423.db2.gz KGFIQZMHZXSTGL-CYBMUJFWSA-N 1 2 341.375 0.026 20 30 ECEDLO C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)CS(C)(=O)=O)C2 ZINC001111488645 734223798 /nfs/dbraw/zinc/22/37/98/734223798.db2.gz PYAYVXNCYUUVGD-MCIONIFRSA-N 1 2 326.462 0.802 20 30 ECEDLO C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)CS(C)(=O)=O)C2 ZINC001111488645 734223801 /nfs/dbraw/zinc/22/38/01/734223801.db2.gz PYAYVXNCYUUVGD-MCIONIFRSA-N 1 2 326.462 0.802 20 30 ECEDLO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC000971160088 734325284 /nfs/dbraw/zinc/32/52/84/734325284.db2.gz GXAQSWUNROOZSB-OAHLLOKOSA-N 1 2 335.429 0.636 20 30 ECEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC000971160088 734325285 /nfs/dbraw/zinc/32/52/85/734325285.db2.gz GXAQSWUNROOZSB-OAHLLOKOSA-N 1 2 335.429 0.636 20 30 ECEDLO Cc1ccc(C#N)c(N2CCO[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001104326978 734328885 /nfs/dbraw/zinc/32/88/85/734328885.db2.gz WMCYTJFVSXERRM-CQSZACIVSA-N 1 2 340.387 0.549 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnc(C4CC4)nc3)[C@H]2C1 ZINC001083216898 734496601 /nfs/dbraw/zinc/49/66/01/734496601.db2.gz WQBPLTXUNCQRRP-JKSUJKDBSA-N 1 2 326.400 0.903 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnc(C4CC4)nc3)[C@H]2C1 ZINC001083216898 734496606 /nfs/dbraw/zinc/49/66/06/734496606.db2.gz WQBPLTXUNCQRRP-JKSUJKDBSA-N 1 2 326.400 0.903 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C(N)=O)s3)[C@H]2C1 ZINC001083222889 734870688 /nfs/dbraw/zinc/87/06/88/734870688.db2.gz QXEKHNNTKWTAOP-NWDGAFQWSA-N 1 2 335.429 0.948 20 30 ECEDLO C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C(N)=O)s3)[C@H]2C1 ZINC001083222889 734870694 /nfs/dbraw/zinc/87/06/94/734870694.db2.gz QXEKHNNTKWTAOP-NWDGAFQWSA-N 1 2 335.429 0.948 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)CCc3cnc[nH]3)C2)C1=O ZINC000971651208 734879408 /nfs/dbraw/zinc/87/94/08/734879408.db2.gz HHEHISSTFADXFD-HZPDHXFCSA-N 1 2 345.447 0.662 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)CCc3cnc[nH]3)C2)C1=O ZINC000971651208 734879409 /nfs/dbraw/zinc/87/94/09/734879409.db2.gz HHEHISSTFADXFD-HZPDHXFCSA-N 1 2 345.447 0.662 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC[C@@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001098555163 734883708 /nfs/dbraw/zinc/88/37/08/734883708.db2.gz RCWAZIXFGDOBEW-JSGCOSHPSA-N 1 2 346.435 0.545 20 30 ECEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC000971860719 735265253 /nfs/dbraw/zinc/26/52/53/735265253.db2.gz DDGZWSGWVYDLMR-SNVBAGLBSA-N 1 2 347.824 0.826 20 30 ECEDLO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC000971860719 735265257 /nfs/dbraw/zinc/26/52/57/735265257.db2.gz DDGZWSGWVYDLMR-SNVBAGLBSA-N 1 2 347.824 0.826 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC000972083774 735623863 /nfs/dbraw/zinc/62/38/63/735623863.db2.gz IMQZGHKUMOLLPG-GDBMZVCRSA-N 1 2 326.400 0.733 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3csc(COC)n3)[C@H]2C1 ZINC001083243780 735701526 /nfs/dbraw/zinc/70/15/26/735701526.db2.gz UFNMOQOVKNVMBG-UONOGXRCSA-N 1 2 335.429 0.377 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3csc(COC)n3)[C@H]2C1 ZINC001083243780 735701527 /nfs/dbraw/zinc/70/15/27/735701527.db2.gz UFNMOQOVKNVMBG-UONOGXRCSA-N 1 2 335.429 0.377 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3c4c(nn3C)CCCC4)C2)C1 ZINC000972399867 736126036 /nfs/dbraw/zinc/12/60/36/736126036.db2.gz OQTDPCCLJUJJMX-LJQANCHMSA-N 1 2 342.443 0.849 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3c4c(nn3C)CCCC4)C2)C1 ZINC000972399867 736126039 /nfs/dbraw/zinc/12/60/39/736126039.db2.gz OQTDPCCLJUJJMX-LJQANCHMSA-N 1 2 342.443 0.849 20 30 ECEDLO C=CCCC(=O)NCC1(O)CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001041969132 782513964 /nfs/dbraw/zinc/51/39/64/782513964.db2.gz FIAMYIFLYCGEHQ-UHFFFAOYSA-N 1 2 346.431 0.418 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnc4n[nH]nc4c3)C2)C1 ZINC000972414112 736150819 /nfs/dbraw/zinc/15/08/19/736150819.db2.gz UISIPBHEHUCFII-QGZVFWFLSA-N 1 2 340.387 0.293 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnc4n[nH]nc4c3)C2)C1 ZINC000972414112 736150821 /nfs/dbraw/zinc/15/08/21/736150821.db2.gz UISIPBHEHUCFII-QGZVFWFLSA-N 1 2 340.387 0.293 20 30 ECEDLO C=C(C)CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)S(C)(=O)=O)C2)C1 ZINC000972436336 736190783 /nfs/dbraw/zinc/19/07/83/736190783.db2.gz WGVVNAKYUVGLIO-GOEBONIOSA-N 1 2 344.477 0.689 20 30 ECEDLO C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)S(C)(=O)=O)C2)C1 ZINC000972436336 736190787 /nfs/dbraw/zinc/19/07/87/736190787.db2.gz WGVVNAKYUVGLIO-GOEBONIOSA-N 1 2 344.477 0.689 20 30 ECEDLO CC#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000972437290 736195108 /nfs/dbraw/zinc/19/51/08/736195108.db2.gz AVBJICXTQFJETI-QFBILLFUSA-N 1 2 342.443 0.772 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3n[nH]c4c3CCC4)C2)C1 ZINC000972447004 736218694 /nfs/dbraw/zinc/21/86/94/736218694.db2.gz OUDNPYUBSUKTLM-GOSISDBHSA-N 1 2 328.416 0.839 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3n[nH]c4c3CCC4)C2)C1 ZINC000972447004 736218696 /nfs/dbraw/zinc/21/86/96/736218696.db2.gz OUDNPYUBSUKTLM-GOSISDBHSA-N 1 2 328.416 0.839 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 ZINC000972449695 736228926 /nfs/dbraw/zinc/22/89/26/736228926.db2.gz MRHDCDATHBLAIB-QGZVFWFLSA-N 1 2 327.388 0.832 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 ZINC000972449695 736228928 /nfs/dbraw/zinc/22/89/28/736228928.db2.gz MRHDCDATHBLAIB-QGZVFWFLSA-N 1 2 327.388 0.832 20 30 ECEDLO C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001041972778 782520377 /nfs/dbraw/zinc/52/03/77/782520377.db2.gz ITBZNEPFZSVXSQ-MRXNPFEDSA-N 1 2 346.431 0.340 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)C2)C1 ZINC000972456118 736243798 /nfs/dbraw/zinc/24/37/98/736243798.db2.gz RWQBVHNBBAJECM-MAUKXSAKSA-N 1 2 348.447 0.104 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)C2)C1 ZINC000972456118 736243800 /nfs/dbraw/zinc/24/38/00/736243800.db2.gz RWQBVHNBBAJECM-MAUKXSAKSA-N 1 2 348.447 0.104 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 ZINC000972456282 736246427 /nfs/dbraw/zinc/24/64/27/736246427.db2.gz VVQDVQIHGFJFOG-HKUYNNGSSA-N 1 2 326.396 0.927 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 ZINC000972456282 736246428 /nfs/dbraw/zinc/24/64/28/736246428.db2.gz VVQDVQIHGFJFOG-HKUYNNGSSA-N 1 2 326.396 0.927 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccnc4n[nH]nc43)C2)C1 ZINC000972461632 736258876 /nfs/dbraw/zinc/25/88/76/736258876.db2.gz VXQRAOBDLBXKDF-QGZVFWFLSA-N 1 2 340.387 0.293 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccnc4n[nH]nc43)C2)C1 ZINC000972461632 736258878 /nfs/dbraw/zinc/25/88/78/736258878.db2.gz VXQRAOBDLBXKDF-QGZVFWFLSA-N 1 2 340.387 0.293 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(=O)c(OC)co3)C2)C1 ZINC000972464861 736265340 /nfs/dbraw/zinc/26/53/40/736265340.db2.gz FOMCROOKSZBRBL-GOSISDBHSA-N 1 2 346.383 0.589 20 30 ECEDLO C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(=O)c(OC)co3)C2)C1 ZINC000972464861 736265343 /nfs/dbraw/zinc/26/53/43/736265343.db2.gz FOMCROOKSZBRBL-GOSISDBHSA-N 1 2 346.383 0.589 20 30 ECEDLO CC(C)N(CCN(C)c1nccnc1C#N)C(=O)Cc1c[nH+]c[nH]1 ZINC001125686528 736630077 /nfs/dbraw/zinc/63/00/77/736630077.db2.gz FHFFMIBVHKKXRE-UHFFFAOYSA-N 1 2 327.392 0.987 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)co3)C2)C1 ZINC000972549147 736678009 /nfs/dbraw/zinc/67/80/09/736678009.db2.gz MKEUKJTXMPQREX-QGZVFWFLSA-N 1 2 331.372 0.319 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C(N)=O)co3)C2)C1 ZINC000972549147 736678010 /nfs/dbraw/zinc/67/80/10/736678010.db2.gz MKEUKJTXMPQREX-QGZVFWFLSA-N 1 2 331.372 0.319 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCN(C(=O)CC)C3)C2)C1 ZINC000972628518 737154361 /nfs/dbraw/zinc/15/43/61/737154361.db2.gz UFQWBVCHPQJEEH-LPHOPBHVSA-N 1 2 347.459 0.572 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCN(C(=O)CC)C3)C2)C1 ZINC000972628518 737154363 /nfs/dbraw/zinc/15/43/63/737154363.db2.gz UFQWBVCHPQJEEH-LPHOPBHVSA-N 1 2 347.459 0.572 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H](C)N3CCCC3=O)C2)C1 ZINC000972633484 737178707 /nfs/dbraw/zinc/17/87/07/737178707.db2.gz FQSFGMFRFDQWOF-APWZRJJASA-N 1 2 347.459 0.714 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H](C)N3CCCC3=O)C2)C1 ZINC000972633484 737178712 /nfs/dbraw/zinc/17/87/12/737178712.db2.gz FQSFGMFRFDQWOF-APWZRJJASA-N 1 2 347.459 0.714 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3nncn3C)C2)nc1 ZINC001023709377 737227331 /nfs/dbraw/zinc/22/73/31/737227331.db2.gz TXJRRSQHNGSOPF-HNNXBMFYSA-N 1 2 338.415 0.833 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3nncn3C)C2)nc1 ZINC001023709377 737227334 /nfs/dbraw/zinc/22/73/34/737227334.db2.gz TXJRRSQHNGSOPF-HNNXBMFYSA-N 1 2 338.415 0.833 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3Cc4cccnc4C3)C2)C1 ZINC000972654542 737261404 /nfs/dbraw/zinc/26/14/04/737261404.db2.gz RHSAREZFYSZAOX-LPHOPBHVSA-N 1 2 325.412 0.733 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3Cc4cccnc4C3)C2)C1 ZINC000972654542 737261408 /nfs/dbraw/zinc/26/14/08/737261408.db2.gz RHSAREZFYSZAOX-LPHOPBHVSA-N 1 2 325.412 0.733 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnn(C)c3OC)C2)C1 ZINC000972656584 737264053 /nfs/dbraw/zinc/26/40/53/737264053.db2.gz UJDJVYOTBLMWHX-KRWDZBQOSA-N 1 2 332.404 0.369 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnn(C)c3OC)C2)C1 ZINC000972656584 737264055 /nfs/dbraw/zinc/26/40/55/737264055.db2.gz UJDJVYOTBLMWHX-KRWDZBQOSA-N 1 2 332.404 0.369 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc4n[nH]nc4c3)C2)C1 ZINC000972669421 737315568 /nfs/dbraw/zinc/31/55/68/737315568.db2.gz MPUCMGJLHRRPIA-GOSISDBHSA-N 1 2 339.399 0.898 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc4n[nH]nc4c3)C2)C1 ZINC000972669421 737315572 /nfs/dbraw/zinc/31/55/72/737315572.db2.gz MPUCMGJLHRRPIA-GOSISDBHSA-N 1 2 339.399 0.898 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN3C(=O)CCC)C2)C1 ZINC000972688494 737383480 /nfs/dbraw/zinc/38/34/80/737383480.db2.gz OOFOWHHSPXJQDQ-LPHOPBHVSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN3C(=O)CCC)C2)C1 ZINC000972688494 737383481 /nfs/dbraw/zinc/38/34/81/737383481.db2.gz OOFOWHHSPXJQDQ-LPHOPBHVSA-N 1 2 347.459 0.714 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)N3CCCCC3=O)C2)C1 ZINC000972688848 737385532 /nfs/dbraw/zinc/38/55/32/737385532.db2.gz RAXPHHBEJLFSSD-MAUKXSAKSA-N 1 2 333.432 0.324 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)N3CCCCC3=O)C2)C1 ZINC000972688848 737385538 /nfs/dbraw/zinc/38/55/38/737385538.db2.gz RAXPHHBEJLFSSD-MAUKXSAKSA-N 1 2 333.432 0.324 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H](C[NH2+]Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001023896262 737466125 /nfs/dbraw/zinc/46/61/25/737466125.db2.gz YQKPJTIRBZEWJI-STQMWFEESA-N 1 2 342.403 0.510 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001024348684 737915615 /nfs/dbraw/zinc/91/56/15/737915615.db2.gz HTIMOTRCMFYBNR-BPLDGKMQSA-N 1 2 346.431 0.346 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CCCCC2)C[C@H]1O ZINC001024357191 737920028 /nfs/dbraw/zinc/92/00/28/737920028.db2.gz LRLPSQJUAGGYSL-IXDOHACOSA-N 1 2 347.459 0.352 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CCCCC2)C[C@H]1O ZINC001024357191 737920029 /nfs/dbraw/zinc/92/00/29/737920029.db2.gz LRLPSQJUAGGYSL-IXDOHACOSA-N 1 2 347.459 0.352 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CC(C)(C)C2)C[C@H]1O ZINC001024358080 737920045 /nfs/dbraw/zinc/92/00/45/737920045.db2.gz ARAVWCGRBCQYAQ-OWCLPIDISA-N 1 2 347.459 0.208 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CC(C)(C)C2)C[C@H]1O ZINC001024358080 737920048 /nfs/dbraw/zinc/92/00/48/737920048.db2.gz ARAVWCGRBCQYAQ-OWCLPIDISA-N 1 2 347.459 0.208 20 30 ECEDLO Cn1nncc1C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001024380369 737936598 /nfs/dbraw/zinc/93/65/98/737936598.db2.gz LHYAWIMEUAVUJQ-CYBMUJFWSA-N 1 2 327.392 0.799 20 30 ECEDLO Cn1nncc1C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001024380369 737936600 /nfs/dbraw/zinc/93/66/00/737936600.db2.gz LHYAWIMEUAVUJQ-CYBMUJFWSA-N 1 2 327.392 0.799 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2cn[nH]n2)C1=O ZINC001024527357 738062099 /nfs/dbraw/zinc/06/20/99/738062099.db2.gz QWKQKGMGAQLRLJ-TZMCWYRMSA-N 1 2 332.408 0.176 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2cn[nH]n2)C1=O ZINC001024527357 738062103 /nfs/dbraw/zinc/06/21/03/738062103.db2.gz QWKQKGMGAQLRLJ-TZMCWYRMSA-N 1 2 332.408 0.176 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CNC(=O)c2cnn[nH]2)C1=O ZINC001024527357 738062108 /nfs/dbraw/zinc/06/21/08/738062108.db2.gz QWKQKGMGAQLRLJ-TZMCWYRMSA-N 1 2 332.408 0.176 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2CNC(=O)c2cnn[nH]2)C1=O ZINC001024527357 738062111 /nfs/dbraw/zinc/06/21/11/738062111.db2.gz QWKQKGMGAQLRLJ-TZMCWYRMSA-N 1 2 332.408 0.176 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C(=O)Nc3ccc(C)cc3)[C@H]2C1 ZINC001083272609 738310705 /nfs/dbraw/zinc/31/07/05/738310705.db2.gz XHPYSBIOSBBALX-DLBZAZTESA-N 1 2 341.411 0.868 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)C(=O)Nc3ccc(C)cc3)[C@H]2C1 ZINC001083272609 738310708 /nfs/dbraw/zinc/31/07/08/738310708.db2.gz XHPYSBIOSBBALX-DLBZAZTESA-N 1 2 341.411 0.868 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1 ZINC000973411980 739227964 /nfs/dbraw/zinc/22/79/64/739227964.db2.gz ADPCFAQMSLXPAP-KLHDSHLOSA-N 1 2 349.394 0.967 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1 ZINC000973411980 739227969 /nfs/dbraw/zinc/22/79/69/739227969.db2.gz ADPCFAQMSLXPAP-KLHDSHLOSA-N 1 2 349.394 0.967 20 30 ECEDLO C#Cc1ccccc1CC(=O)N[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000973488817 739387775 /nfs/dbraw/zinc/38/77/75/739387775.db2.gz QMRVTCZQOIQNEE-WKILWMFISA-N 1 2 336.395 0.940 20 30 ECEDLO C[C@@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001104723002 739533040 /nfs/dbraw/zinc/53/30/40/739533040.db2.gz INIQJJPGXBQTIU-STQMWFEESA-N 1 2 339.403 0.488 20 30 ECEDLO C[C@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001104722999 739533229 /nfs/dbraw/zinc/53/32/29/739533229.db2.gz INIQJJPGXBQTIU-CHWSQXEVSA-N 1 2 339.403 0.488 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)N3CCCCC3=O)[C@H]2C1 ZINC001083283158 739712349 /nfs/dbraw/zinc/71/23/49/739712349.db2.gz MEERRSPQRQDJRO-OWCLPIDISA-N 1 2 333.432 0.322 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)N3CCCCC3=O)[C@H]2C1 ZINC001083283158 739712353 /nfs/dbraw/zinc/71/23/53/739712353.db2.gz MEERRSPQRQDJRO-OWCLPIDISA-N 1 2 333.432 0.322 20 30 ECEDLO N#Cc1nccc(N2CCC3(C[C@@H]3NC(=O)Cc3c[nH]c[nH+]3)CC2)n1 ZINC001058650811 739777904 /nfs/dbraw/zinc/77/79/04/739777904.db2.gz VDYZAPGPPLGULR-ZDUSSCGKSA-N 1 2 337.387 0.789 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC2(CCN(CC#N)CC2)O1 ZINC001098603638 739793364 /nfs/dbraw/zinc/79/33/64/739793364.db2.gz SWAKKXZBRLGMRX-AWEZNQCLSA-N 1 2 331.420 0.948 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC2(CCN(CC#N)CC2)O1 ZINC001098603638 739793368 /nfs/dbraw/zinc/79/33/68/739793368.db2.gz SWAKKXZBRLGMRX-AWEZNQCLSA-N 1 2 331.420 0.948 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](Cc1cnn(C)n1)C2 ZINC000982023320 751486591 /nfs/dbraw/zinc/48/65/91/751486591.db2.gz BPNUKBXSAHDVOU-CVEARBPZSA-N 1 2 345.447 0.831 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](Cc1cnn(C)n1)C2 ZINC000982023320 751486593 /nfs/dbraw/zinc/48/65/93/751486593.db2.gz BPNUKBXSAHDVOU-CVEARBPZSA-N 1 2 345.447 0.831 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H](C)C2CN(C(=O)Cn3cc[nH+]c3)C2)nc1 ZINC001006535833 751491449 /nfs/dbraw/zinc/49/14/49/751491449.db2.gz VFNMTYHMGPKXAB-CYBMUJFWSA-N 1 2 337.383 0.536 20 30 ECEDLO O=C(N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775350 739943570 /nfs/dbraw/zinc/94/35/70/739943570.db2.gz RJJGXFROOTZNBY-UUAJXVIYSA-N 1 2 343.358 0.889 20 30 ECEDLO O=C(N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775350 739943572 /nfs/dbraw/zinc/94/35/72/739943572.db2.gz RJJGXFROOTZNBY-UUAJXVIYSA-N 1 2 343.358 0.889 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccn(CC)c2C)[C@@H](n2ccnn2)C1 ZINC001070006216 790306131 /nfs/dbraw/zinc/30/61/31/790306131.db2.gz KEYMGFNVZKUCLC-CVEARBPZSA-N 1 2 326.404 0.696 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC)c2C)[C@@H](n2ccnn2)C1 ZINC001070006216 790306138 /nfs/dbraw/zinc/30/61/38/790306138.db2.gz KEYMGFNVZKUCLC-CVEARBPZSA-N 1 2 326.404 0.696 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3cccnc32)[C@@H](n2ccnn2)C1 ZINC001070010523 790315155 /nfs/dbraw/zinc/31/51/55/790315155.db2.gz ZFQWQYWQFHEUIB-XHSDSOJGSA-N 1 2 336.399 0.378 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3cccnc32)[C@@H](n2ccnn2)C1 ZINC001070010523 790315160 /nfs/dbraw/zinc/31/51/60/790315160.db2.gz ZFQWQYWQFHEUIB-XHSDSOJGSA-N 1 2 336.399 0.378 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3nncn3C)C[C@H]21 ZINC001026101770 740377034 /nfs/dbraw/zinc/37/70/34/740377034.db2.gz GFRKPVMJKNWNKF-IBPCWRJOSA-N 1 2 345.447 0.904 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3nncn3C)C[C@H]21 ZINC001026101770 740377038 /nfs/dbraw/zinc/37/70/38/740377038.db2.gz GFRKPVMJKNWNKF-IBPCWRJOSA-N 1 2 345.447 0.904 20 30 ECEDLO CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCS(=O)(=O)C3)C2)C1 ZINC000982047172 751548303 /nfs/dbraw/zinc/54/83/03/751548303.db2.gz ZPZUNUNLTRRLKA-HNNXBMFYSA-N 1 2 338.473 0.759 20 30 ECEDLO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCS(=O)(=O)C3)C2)C1 ZINC000982047172 751548309 /nfs/dbraw/zinc/54/83/09/751548309.db2.gz ZPZUNUNLTRRLKA-HNNXBMFYSA-N 1 2 338.473 0.759 20 30 ECEDLO C=CC[N@@H+]1CCCC2(CN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)C2)C1 ZINC000982074279 751565032 /nfs/dbraw/zinc/56/50/32/751565032.db2.gz VOMWNFUFMWGKLQ-UHFFFAOYSA-N 1 2 342.403 0.182 20 30 ECEDLO C=CC[N@H+]1CCCC2(CN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)C2)C1 ZINC000982074279 751565036 /nfs/dbraw/zinc/56/50/36/751565036.db2.gz VOMWNFUFMWGKLQ-UHFFFAOYSA-N 1 2 342.403 0.182 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C)CNc1ccnc(C#N)n1 ZINC001104851254 740714675 /nfs/dbraw/zinc/71/46/75/740714675.db2.gz PHLHIFPRHUUWGE-NEPJUHHUSA-N 1 2 327.392 0.631 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H](C)CNc1ccnc(C#N)n1 ZINC001104851254 740714677 /nfs/dbraw/zinc/71/46/77/740714677.db2.gz PHLHIFPRHUUWGE-NEPJUHHUSA-N 1 2 327.392 0.631 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1 ZINC000973995879 740748081 /nfs/dbraw/zinc/74/80/81/740748081.db2.gz PPOQAXJCONREFT-YVECIDJPSA-N 1 2 338.371 0.790 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1 ZINC000973995879 740748082 /nfs/dbraw/zinc/74/80/82/740748082.db2.gz PPOQAXJCONREFT-YVECIDJPSA-N 1 2 338.371 0.790 20 30 ECEDLO C[C@@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001104871060 740772318 /nfs/dbraw/zinc/77/23/18/740772318.db2.gz HVRCOHVJDRTMGJ-QJPTWQEYSA-N 1 2 325.376 0.556 20 30 ECEDLO C[C@@H](CNc1ccnc(C#N)n1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001104871060 740772321 /nfs/dbraw/zinc/77/23/21/740772321.db2.gz HVRCOHVJDRTMGJ-QJPTWQEYSA-N 1 2 325.376 0.556 20 30 ECEDLO C[C@H](CNc1nccnc1C#N)N(C)C(=O)CCc1[nH+]ccn1C ZINC001104892234 740832274 /nfs/dbraw/zinc/83/22/74/740832274.db2.gz JYAUAKUAIDMCII-GFCCVEGCSA-N 1 2 327.392 0.973 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)[nH]1 ZINC000974045505 740835115 /nfs/dbraw/zinc/83/51/15/740835115.db2.gz OAJPAUNWUDWMBI-YVECIDJPSA-N 1 2 338.371 0.790 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)[nH]1 ZINC000974045505 740835119 /nfs/dbraw/zinc/83/51/19/740835119.db2.gz OAJPAUNWUDWMBI-YVECIDJPSA-N 1 2 338.371 0.790 20 30 ECEDLO CN(C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)c1cncc(C#N)n1 ZINC001058705653 740974135 /nfs/dbraw/zinc/97/41/35/740974135.db2.gz GSSXMOPTIHLEDQ-CYBMUJFWSA-N 1 2 339.403 0.989 20 30 ECEDLO CC(C)C[C@H](CNc1ccnc(C#N)n1)NC(=O)Cn1cc[nH+]c1 ZINC001104952550 741013478 /nfs/dbraw/zinc/01/34/78/741013478.db2.gz BFOGRZDDSUYQGC-CYBMUJFWSA-N 1 2 327.392 0.610 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[N@@H+]([C@H](CC)C(N)=O)CC2)nn1 ZINC000982143252 751639695 /nfs/dbraw/zinc/63/96/95/751639695.db2.gz QPDGZKNOHFCMLU-CQSZACIVSA-N 1 2 334.424 0.266 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[N@H+]([C@H](CC)C(N)=O)CC2)nn1 ZINC000982143252 751639698 /nfs/dbraw/zinc/63/96/98/751639698.db2.gz QPDGZKNOHFCMLU-CQSZACIVSA-N 1 2 334.424 0.266 20 30 ECEDLO CC[C@@H](C)OCC(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105216127 741487868 /nfs/dbraw/zinc/48/78/68/741487868.db2.gz NWCWMEPRKHDSDO-CQSZACIVSA-N 1 2 349.435 0.216 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3cnn(C)c3C)C2)nn1 ZINC001105248861 741551414 /nfs/dbraw/zinc/55/14/14/741551414.db2.gz BJNZPQULPXWJJH-UHFFFAOYSA-N 1 2 341.419 0.059 20 30 ECEDLO C=C(C)CCC(=O)N1CC(n2cc(C[NH2+]CC(=O)NCCC)nn2)C1 ZINC001105252398 741561925 /nfs/dbraw/zinc/56/19/25/741561925.db2.gz OSKHBSVFEMHOGG-UHFFFAOYSA-N 1 2 348.451 0.634 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(N(C)C)nc3)C2)nn1 ZINC001105275149 741620610 /nfs/dbraw/zinc/62/06/10/741620610.db2.gz FERJMEBDOKQYHQ-UHFFFAOYSA-N 1 2 339.403 0.159 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3cc(C)nn3C)C2)nn1 ZINC001105280817 741637210 /nfs/dbraw/zinc/63/72/10/741637210.db2.gz FGDVVJCKUZIZCU-UHFFFAOYSA-N 1 2 341.419 0.059 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCO[C@H]3C3CC3)C2)nn1 ZINC001105288043 741648496 /nfs/dbraw/zinc/64/84/96/741648496.db2.gz BFGZQJLUETWJFZ-CVEARBPZSA-N 1 2 329.404 0.199 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)nn1 ZINC001105288841 741649501 /nfs/dbraw/zinc/64/95/01/741649501.db2.gz WFLCSPTWNRIHLC-ALYAQQCSSA-N 1 2 341.415 0.198 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)nn(C)c3C)C2)nn1 ZINC001105294728 741665566 /nfs/dbraw/zinc/66/55/66/741665566.db2.gz DBTDFHJFNQFNTG-UHFFFAOYSA-N 1 2 327.392 0.048 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)Cc1c[nH+]cn1C ZINC001058728045 741685403 /nfs/dbraw/zinc/68/54/03/741685403.db2.gz ITCWCGAAMBQODL-KRWDZBQOSA-N 1 2 336.436 0.502 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CC(n2cc(C[NH2+][C@@H](CC)C(N)=O)nn2)C1 ZINC001105309793 741718499 /nfs/dbraw/zinc/71/84/99/741718499.db2.gz CIHQZHYZEAEBNQ-DOMZBBRYSA-N 1 2 348.451 0.617 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CC(n2cc(C[NH2+][C@@H]3CCNC3=O)nn2)C1 ZINC001105309992 741718853 /nfs/dbraw/zinc/71/88/53/741718853.db2.gz LLYIOMGETOTMSI-IUODEOHRSA-N 1 2 346.435 0.242 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CC(n2cc(C[NH2+]CC(=O)NCC)nn2)C1 ZINC001105310173 741719909 /nfs/dbraw/zinc/71/99/09/741719909.db2.gz RNPRMTULHOFGBA-ZDUSSCGKSA-N 1 2 348.451 0.489 20 30 ECEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[C@H](F)C3)C2)nn1 ZINC001105314353 741734984 /nfs/dbraw/zinc/73/49/84/741734984.db2.gz QJTIQWIOXYYZRZ-KGLIPLIRSA-N 1 2 349.410 0.539 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[C@@H](OC)C3)C2)nn1 ZINC001105313601 741740336 /nfs/dbraw/zinc/74/03/36/741740336.db2.gz FCKJLFWXVGOIDV-RHSMWYFYSA-N 1 2 345.447 0.980 20 30 ECEDLO C=CCCCC(=O)N1CC(n2cc(C[NH2+]CC(=O)NC(C)C)nn2)C1 ZINC001105316985 741751012 /nfs/dbraw/zinc/75/10/12/741751012.db2.gz CEFFRJNZNFLWAF-UHFFFAOYSA-N 1 2 348.451 0.632 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC[C@H]3CCCO3)C2)nn1 ZINC001098622225 741777143 /nfs/dbraw/zinc/77/71/43/741777143.db2.gz CXYNWGZHVWRUAD-JKSUJKDBSA-N 1 2 331.420 0.734 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C3(C(F)(F)F)CC3)C2)nn1 ZINC001105333275 741983904 /nfs/dbraw/zinc/98/39/04/741983904.db2.gz HVIRBCXPYHDFNR-UHFFFAOYSA-N 1 2 327.310 0.727 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nc(C)no2)C1 ZINC001026894093 742039197 /nfs/dbraw/zinc/03/91/97/742039197.db2.gz VSQXPOFRXVYRQW-GJZGRUSLSA-N 1 2 331.420 0.414 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC000974775188 742174777 /nfs/dbraw/zinc/17/47/77/742174777.db2.gz BVNMXLMNSOHIGH-GZBFAFLISA-N 1 2 329.404 0.572 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)c3cnco3)C(C)(C)C2)C1=O ZINC000974897586 742330161 /nfs/dbraw/zinc/33/01/61/742330161.db2.gz VBFCGEPHEFFFPO-TZMCWYRMSA-N 1 2 332.404 0.902 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)c3cnco3)C(C)(C)C2)C1=O ZINC000974897586 742330162 /nfs/dbraw/zinc/33/01/62/742330162.db2.gz VBFCGEPHEFFFPO-TZMCWYRMSA-N 1 2 332.404 0.902 20 30 ECEDLO CCO[C@@H](C)c1noc(C[NH2+]CCNC(=O)c2c[nH]c(C#N)c2)n1 ZINC001125994601 743121868 /nfs/dbraw/zinc/12/18/68/743121868.db2.gz GKTLMWKDYLQZLH-JTQLQIEISA-N 1 2 332.364 0.886 20 30 ECEDLO CC(C)(C)[C@H](CNc1ccnc(C#N)n1)NC(=O)CCn1cc[nH+]c1 ZINC001126038576 743454166 /nfs/dbraw/zinc/45/41/66/743454166.db2.gz UDNREAXRCAIMCA-ZDUSSCGKSA-N 1 2 341.419 1.000 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC000997882668 743868540 /nfs/dbraw/zinc/86/85/40/743868540.db2.gz LSSAJGIHFLRADJ-OWYFMNJBSA-N 1 2 344.415 0.722 20 30 ECEDLO Cn1cc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001027374301 744027876 /nfs/dbraw/zinc/02/78/76/744027876.db2.gz BUTLREZJSKILAB-OAHLLOKOSA-N 1 2 327.392 0.751 20 30 ECEDLO Cn1cc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001027374301 744027880 /nfs/dbraw/zinc/02/78/80/744027880.db2.gz BUTLREZJSKILAB-OAHLLOKOSA-N 1 2 327.392 0.751 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCS2(=O)=O)CC1 ZINC000998187720 744038680 /nfs/dbraw/zinc/03/86/80/744038680.db2.gz FYPNICYDTBCGAI-CABCVRRESA-N 1 2 326.462 0.900 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCS2(=O)=O)CC1 ZINC000998187720 744038684 /nfs/dbraw/zinc/03/86/84/744038684.db2.gz FYPNICYDTBCGAI-CABCVRRESA-N 1 2 326.462 0.900 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@H](C(F)(F)F)[C@@H](NCC#N)C1 ZINC000998299908 744106945 /nfs/dbraw/zinc/10/69/45/744106945.db2.gz DELDKFZTVZXUGT-RYUDHWBXSA-N 1 2 329.326 0.855 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1 ZINC000999017069 744467712 /nfs/dbraw/zinc/46/77/12/744467712.db2.gz VNLFOXRDJNDSFQ-KBMXLJTQSA-N 1 2 326.400 0.922 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)nc1 ZINC000976916120 744475199 /nfs/dbraw/zinc/47/51/99/744475199.db2.gz MBVCNWRHPWNDES-LAQFHYBYSA-N 1 2 335.367 0.215 20 30 ECEDLO COCCc1noc(C[NH2+][C@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC000999129415 744525513 /nfs/dbraw/zinc/52/55/13/744525513.db2.gz QBQINKSQJMAFKA-AWEZNQCLSA-N 1 2 332.404 0.753 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1C[N@@H+](CC(N)=O)CC1(C)C ZINC000977440013 745024655 /nfs/dbraw/zinc/02/46/55/745024655.db2.gz NTCGRKXKZMPOTQ-ZDUSSCGKSA-N 1 2 332.404 0.572 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1C[N@H+](CC(N)=O)CC1(C)C ZINC000977440013 745024662 /nfs/dbraw/zinc/02/46/62/745024662.db2.gz NTCGRKXKZMPOTQ-ZDUSSCGKSA-N 1 2 332.404 0.572 20 30 ECEDLO C=C(Cl)CNCc1cn(C2CN(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001105383361 745097663 /nfs/dbraw/zinc/09/76/63/745097663.db2.gz XLVYBQQNJLBLQV-UHFFFAOYSA-N 1 2 335.799 0.400 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccon3)C2)nn1 ZINC001098626427 745115716 /nfs/dbraw/zinc/11/57/16/745115716.db2.gz QVIXBUHRULVVPA-CQSZACIVSA-N 1 2 344.375 0.093 20 30 ECEDLO C#CCC[N@H+]1CC[C@H](n2cc(CNC(=O)c3[nH]ncc3F)nn2)C1 ZINC001000022560 745193888 /nfs/dbraw/zinc/19/38/88/745193888.db2.gz WMWLZGTUSSVPGJ-LBPRGKRZSA-N 1 2 331.355 0.340 20 30 ECEDLO C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3[nH]ncc3F)nn2)C1 ZINC001000022560 745193890 /nfs/dbraw/zinc/19/38/90/745193890.db2.gz WMWLZGTUSSVPGJ-LBPRGKRZSA-N 1 2 331.355 0.340 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)C3CCOCC3)C2)nn1 ZINC001105384509 745251317 /nfs/dbraw/zinc/25/13/17/745251317.db2.gz IXLOQBZYANARCN-AWEZNQCLSA-N 1 2 345.447 0.837 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)[C@@H]1CCCCO1 ZINC001083410418 745258655 /nfs/dbraw/zinc/25/86/55/745258655.db2.gz DYBGPHMEYYSYJF-SQNIBIBYSA-N 1 2 328.412 0.769 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)[C@@H]1CCCCO1 ZINC001083410418 745258658 /nfs/dbraw/zinc/25/86/58/745258658.db2.gz DYBGPHMEYYSYJF-SQNIBIBYSA-N 1 2 328.412 0.769 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC34CCOCC4)C2)nn1 ZINC001105384946 745259285 /nfs/dbraw/zinc/25/92/85/745259285.db2.gz QJMKUPWREAJELE-OAHLLOKOSA-N 1 2 329.404 0.201 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C(C)(C)C1 ZINC000977599596 745280491 /nfs/dbraw/zinc/28/04/91/745280491.db2.gz DAUAEADQVBSRFI-MNOVXSKESA-N 1 2 335.857 0.257 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C(C)(C)C1 ZINC000977599596 745280494 /nfs/dbraw/zinc/28/04/94/745280494.db2.gz DAUAEADQVBSRFI-MNOVXSKESA-N 1 2 335.857 0.257 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](CCC)OC)C2)nn1 ZINC001098698681 745356452 /nfs/dbraw/zinc/35/64/52/745356452.db2.gz WZKZUYGQPMFSMZ-HOTGVXAUSA-N 1 2 333.436 0.980 20 30 ECEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC[C@@H]1[C@H]2CN(CC#N)C[C@H]21 ZINC000978180465 745998987 /nfs/dbraw/zinc/99/89/87/745998987.db2.gz NANTVDSTSAOBTJ-HHARLNAUSA-N 1 2 339.443 0.971 20 30 ECEDLO N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)nn1 ZINC001059338575 746021005 /nfs/dbraw/zinc/02/10/05/746021005.db2.gz HGBLHZVGYCSAQP-MRVWCRGKSA-N 1 2 337.387 0.866 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@H]([N@H+](C)Cc3ncccn3)C2)nn1 ZINC001027606957 746163068 /nfs/dbraw/zinc/16/30/68/746163068.db2.gz PDVZSSJDQBIQDD-AWEZNQCLSA-N 1 2 341.419 0.991 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@H]([N@@H+](C)Cc3ncccn3)C2)nn1 ZINC001027606957 746163073 /nfs/dbraw/zinc/16/30/73/746163073.db2.gz PDVZSSJDQBIQDD-AWEZNQCLSA-N 1 2 341.419 0.991 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnc(C)n3C)C2)nn1 ZINC001098705434 746264834 /nfs/dbraw/zinc/26/48/34/746264834.db2.gz FBXANVJOZNBMOU-AWEZNQCLSA-N 1 2 327.392 0.130 20 30 ECEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001001384609 746330942 /nfs/dbraw/zinc/33/09/42/746330942.db2.gz SVIZJVLNMZGKIJ-LBPRGKRZSA-N 1 2 342.237 0.922 20 30 ECEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001001384609 746330946 /nfs/dbraw/zinc/33/09/46/746330946.db2.gz SVIZJVLNMZGKIJ-LBPRGKRZSA-N 1 2 342.237 0.922 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001001509777 746448622 /nfs/dbraw/zinc/44/86/22/746448622.db2.gz TWOHPBDNVJPSPF-UHFFFAOYSA-N 1 2 340.387 0.441 20 30 ECEDLO CO[C@@H]1C[N@H+](Cc2cc(C)ncn2)C[C@H]1NC(=O)CSCC#N ZINC001211886053 746693296 /nfs/dbraw/zinc/69/32/96/746693296.db2.gz CPKYAFZVJIDUQN-ZIAGYGMSSA-N 1 2 335.433 0.357 20 30 ECEDLO CO[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@H]1NC(=O)CSCC#N ZINC001211886053 746693297 /nfs/dbraw/zinc/69/32/97/746693297.db2.gz CPKYAFZVJIDUQN-ZIAGYGMSSA-N 1 2 335.433 0.357 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000978865408 746814977 /nfs/dbraw/zinc/81/49/77/746814977.db2.gz BEJGGMLERBKVEB-CLWVCHIJSA-N 1 2 346.431 0.944 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cn1 ZINC000979084721 747151001 /nfs/dbraw/zinc/15/10/01/747151001.db2.gz GFGHMQSFYRQOSM-JNSHFYNHSA-N 1 2 337.383 0.653 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[C@@H](CCNC(=O)Cc3[nH]cc[nH+]3)C2)[nH]1 ZINC001059485549 747331090 /nfs/dbraw/zinc/33/10/90/747331090.db2.gz WUULTYSFIQFULI-GFCCVEGCSA-N 1 2 340.387 0.821 20 30 ECEDLO C=C(Br)CN1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001002522165 747466191 /nfs/dbraw/zinc/46/61/91/747466191.db2.gz IJECAXJEWVLDLK-ZDUSSCGKSA-N 1 2 346.269 0.806 20 30 ECEDLO C=C(Br)CN1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001002522165 747466187 /nfs/dbraw/zinc/46/61/87/747466187.db2.gz IJECAXJEWVLDLK-ZDUSSCGKSA-N 1 2 346.269 0.806 20 30 ECEDLO C[C@H]([NH2+]Cc1cnsn1)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979290527 747521674 /nfs/dbraw/zinc/52/16/74/747521674.db2.gz IXVZKAMYXSGJMR-IINYFYTJSA-N 1 2 346.416 0.757 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc4c(c3)COC4)C2)nn1 ZINC001105342818 747590251 /nfs/dbraw/zinc/59/02/51/747590251.db2.gz YRZSNSMVICAWGV-UHFFFAOYSA-N 1 2 337.383 0.728 20 30 ECEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1CN(C(=O)[C@@H](C)C#N)C1)C2 ZINC001002782432 747778815 /nfs/dbraw/zinc/77/88/15/747778815.db2.gz QRUIRBKHWNAYTA-GXFFZTMASA-N 1 2 329.404 0.557 20 30 ECEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1CN(C(=O)[C@@H](C)C#N)C1)CC2 ZINC001002782432 747778819 /nfs/dbraw/zinc/77/88/19/747778819.db2.gz QRUIRBKHWNAYTA-GXFFZTMASA-N 1 2 329.404 0.557 20 30 ECEDLO Cn1nnnc1C[N@H+](C)C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000985387958 747875514 /nfs/dbraw/zinc/87/55/14/747875514.db2.gz HYSQAYFSBCTAKA-UHFFFAOYSA-N 1 2 328.380 0.146 20 30 ECEDLO Cn1nnnc1C[N@@H+](C)C1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000985387958 747875523 /nfs/dbraw/zinc/87/55/23/747875523.db2.gz HYSQAYFSBCTAKA-UHFFFAOYSA-N 1 2 328.380 0.146 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC(CO[C@H]2CCN(CC#N)C2)CC1 ZINC001088240153 747942484 /nfs/dbraw/zinc/94/24/84/747942484.db2.gz QISGHOYLDJSZNT-KRWDZBQOSA-N 1 2 345.447 0.816 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)COC(C)C)C2)nn1 ZINC001098630062 748057606 /nfs/dbraw/zinc/05/76/06/748057606.db2.gz OMIZJZHVUMIFLS-MRXNPFEDSA-N 1 2 349.435 0.216 20 30 ECEDLO Cn1cnnc1C[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001029691657 748080939 /nfs/dbraw/zinc/08/09/39/748080939.db2.gz RLCPWOSWZCKOQX-LBPRGKRZSA-N 1 2 327.392 0.609 20 30 ECEDLO Cn1cnnc1C[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001029691657 748080949 /nfs/dbraw/zinc/08/09/49/748080949.db2.gz RLCPWOSWZCKOQX-LBPRGKRZSA-N 1 2 327.392 0.609 20 30 ECEDLO Cn1ncnc1C[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001029708399 748111637 /nfs/dbraw/zinc/11/16/37/748111637.db2.gz QGKCZMJCUXXYFI-LBPRGKRZSA-N 1 2 327.392 0.609 20 30 ECEDLO Cn1ncnc1C[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001029708399 748111640 /nfs/dbraw/zinc/11/16/40/748111640.db2.gz QGKCZMJCUXXYFI-LBPRGKRZSA-N 1 2 327.392 0.609 20 30 ECEDLO Cn1cnnc1C[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001029709410 748123943 /nfs/dbraw/zinc/12/39/43/748123943.db2.gz IQSMHAKNSWSJRN-GFCCVEGCSA-N 1 2 327.392 0.609 20 30 ECEDLO Cn1cnnc1C[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001029709410 748123945 /nfs/dbraw/zinc/12/39/45/748123945.db2.gz IQSMHAKNSWSJRN-GFCCVEGCSA-N 1 2 327.392 0.609 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1)C(=O)c1ccc(C#N)[nH]1 ZINC001003060555 748128667 /nfs/dbraw/zinc/12/86/67/748128667.db2.gz DJVCWYGRPIGZSF-CQSZACIVSA-N 1 2 340.387 0.915 20 30 ECEDLO C=CCn1cccc1C(=O)N1CC[C@H](C[N@@H+](C)Cc2nnnn2C)C1 ZINC001029755627 748264475 /nfs/dbraw/zinc/26/44/75/748264475.db2.gz QTRYZQMVNOVNES-CQSZACIVSA-N 1 2 343.435 0.792 20 30 ECEDLO C=CCn1cccc1C(=O)N1CC[C@H](C[N@H+](C)Cc2nnnn2C)C1 ZINC001029755627 748264479 /nfs/dbraw/zinc/26/44/79/748264479.db2.gz QTRYZQMVNOVNES-CQSZACIVSA-N 1 2 343.435 0.792 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccn4ccnc34)C2)nn1 ZINC001105343990 748264790 /nfs/dbraw/zinc/26/47/90/748264790.db2.gz GWCDENXAWNIGBU-UHFFFAOYSA-N 1 2 335.371 0.346 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cnn(CC)n3)C2)C1=O ZINC001007292710 752261717 /nfs/dbraw/zinc/26/17/17/752261717.db2.gz YXPJURJPQZBQAI-UKRRQHHQSA-N 1 2 346.435 0.279 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cnn(CC)n3)C2)C1=O ZINC001007292710 752261724 /nfs/dbraw/zinc/26/17/24/752261724.db2.gz YXPJURJPQZBQAI-UKRRQHHQSA-N 1 2 346.435 0.279 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H]1CC ZINC000985516786 748377010 /nfs/dbraw/zinc/37/70/10/748377010.db2.gz XOZVYKIBCXKBCX-QXSJWSMHSA-N 1 2 346.431 0.970 20 30 ECEDLO CN(CC#N)C1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000985558867 748514933 /nfs/dbraw/zinc/51/49/33/748514933.db2.gz OIDNESXAOGXPCG-QGZVFWFLSA-N 1 2 334.464 0.934 20 30 ECEDLO CN(CC#N)C1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000985558867 748514936 /nfs/dbraw/zinc/51/49/36/748514936.db2.gz OIDNESXAOGXPCG-QGZVFWFLSA-N 1 2 334.464 0.934 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](CC)OCC)C2)nn1 ZINC001098630592 748540195 /nfs/dbraw/zinc/54/01/95/748540195.db2.gz TYYCJNHAUKSXMM-CVEARBPZSA-N 1 2 333.436 0.980 20 30 ECEDLO Cn1nnc(C[NH2+][C@H]2CCCCCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001088299930 748567275 /nfs/dbraw/zinc/56/72/75/748567275.db2.gz ZYRRNWZXBMAEEI-ZDUSSCGKSA-N 1 2 342.407 0.584 20 30 ECEDLO Cc1nc(NC[C@@H](O)CNC(=O)CCc2[nH]cc[nH+]2)ccc1C#N ZINC001105804271 761916768 /nfs/dbraw/zinc/91/67/68/761916768.db2.gz NBCBJMLFSFJXPP-CYBMUJFWSA-N 1 2 328.376 0.507 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2C[C@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC001013929824 761927957 /nfs/dbraw/zinc/92/79/57/761927957.db2.gz UVSCTYCUKIFJFM-RYUDHWBXSA-N 1 2 343.391 0.149 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn4ccccc34)C2)nn1 ZINC001105345887 749227604 /nfs/dbraw/zinc/22/76/04/749227604.db2.gz PAZCRYNHNHYBBX-UHFFFAOYSA-N 1 2 349.398 0.736 20 30 ECEDLO C[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1)N1C(=O)CCC1=O ZINC001004444967 749506837 /nfs/dbraw/zinc/50/68/37/749506837.db2.gz CODSTRULPNFTSN-ZFWWWQNUSA-N 1 2 346.431 0.750 20 30 ECEDLO C[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1)N1C(=O)CCC1=O ZINC001004444967 749506843 /nfs/dbraw/zinc/50/68/43/749506843.db2.gz CODSTRULPNFTSN-ZFWWWQNUSA-N 1 2 346.431 0.750 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001004523482 749595451 /nfs/dbraw/zinc/59/54/51/749595451.db2.gz FLQDYDBBLALVKM-CABCVRRESA-N 1 2 332.404 0.508 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001004523482 749595455 /nfs/dbraw/zinc/59/54/55/749595455.db2.gz FLQDYDBBLALVKM-CABCVRRESA-N 1 2 332.404 0.508 20 30 ECEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC(=O)NC2=O)CC1 ZINC001004599414 749670747 /nfs/dbraw/zinc/67/07/47/749670747.db2.gz AWUTYDDSHKHBQH-CQSZACIVSA-N 1 2 347.419 0.155 20 30 ECEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC(=O)NC2=O)CC1 ZINC001004599414 749670751 /nfs/dbraw/zinc/67/07/51/749670751.db2.gz AWUTYDDSHKHBQH-CQSZACIVSA-N 1 2 347.419 0.155 20 30 ECEDLO CC(=O)N1CCO[C@H](C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004608682 749679811 /nfs/dbraw/zinc/67/98/11/749679811.db2.gz AUDXNQMGIASSQM-SJORKVTESA-N 1 2 348.447 0.460 20 30 ECEDLO CC(=O)N1CCO[C@H](C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004608682 749679818 /nfs/dbraw/zinc/67/98/18/749679818.db2.gz AUDXNQMGIASSQM-SJORKVTESA-N 1 2 348.447 0.460 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC000986501118 749979522 /nfs/dbraw/zinc/97/95/22/749979522.db2.gz NLISGBQCLKWFHW-ZNMIVQPWSA-N 1 2 343.431 0.819 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001027979278 750156032 /nfs/dbraw/zinc/15/60/32/750156032.db2.gz XGOATKATUKAFGP-NEPJUHHUSA-N 1 2 339.827 0.879 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001027979278 750156036 /nfs/dbraw/zinc/15/60/36/750156036.db2.gz XGOATKATUKAFGP-NEPJUHHUSA-N 1 2 339.827 0.879 20 30 ECEDLO C[C@H](C(=O)NC1CC1)[N@@H+]1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000980917562 750352848 /nfs/dbraw/zinc/35/28/48/750352848.db2.gz QARPXLPFMZKPPO-GFCCVEGCSA-N 1 2 329.404 0.701 20 30 ECEDLO C[C@H](C(=O)NC1CC1)[N@H+]1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000980917562 750352853 /nfs/dbraw/zinc/35/28/53/750352853.db2.gz QARPXLPFMZKPPO-GFCCVEGCSA-N 1 2 329.404 0.701 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001005219412 750388988 /nfs/dbraw/zinc/38/89/88/750388988.db2.gz UCMHVLKLWJBCQV-UHFFFAOYSA-N 1 2 327.392 0.751 20 30 ECEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@H+]2Cc2nc(=O)n(C)[nH]2)CC1 ZINC001028114733 750961551 /nfs/dbraw/zinc/96/15/51/750961551.db2.gz NWNDOALJJALMBN-CQSZACIVSA-N 1 2 333.436 0.935 20 30 ECEDLO C=C1CCC(C(=O)NC[C@H]2CCC[N@@H+]2Cc2nc(=O)n(C)[nH]2)CC1 ZINC001028114733 750961557 /nfs/dbraw/zinc/96/15/57/750961557.db2.gz NWNDOALJJALMBN-CQSZACIVSA-N 1 2 333.436 0.935 20 30 ECEDLO C=CCn1cc(C(=O)N(C)C2CC[NH+](Cc3cnnn3C)CC2)nn1 ZINC001006103487 751018231 /nfs/dbraw/zinc/01/82/31/751018231.db2.gz KVEPAFLMFAJTHV-UHFFFAOYSA-N 1 2 344.423 0.329 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC000987649126 751053912 /nfs/dbraw/zinc/05/39/12/751053912.db2.gz MRXSZQMPXVPVHX-RISCZKNCSA-N 1 2 340.387 0.880 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001006174961 751088490 /nfs/dbraw/zinc/08/84/90/751088490.db2.gz AYGRJPZHVMLBJI-CFVMTHIKSA-N 1 2 346.431 0.897 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001059829269 751151997 /nfs/dbraw/zinc/15/19/97/751151997.db2.gz NXEFHCRAPONMRM-HNNXBMFYSA-N 1 2 348.447 0.910 20 30 ECEDLO O=C(Cn1ncnn1)N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001007337775 752303508 /nfs/dbraw/zinc/30/35/08/752303508.db2.gz KOYFCKGNHWEJPG-INIZCTEOSA-N 1 2 342.378 0.445 20 30 ECEDLO O=C(Cn1ncnn1)N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001007337775 752303520 /nfs/dbraw/zinc/30/35/20/752303520.db2.gz KOYFCKGNHWEJPG-INIZCTEOSA-N 1 2 342.378 0.445 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)Oc3ccccn3)C2)nn1 ZINC001105363410 752369630 /nfs/dbraw/zinc/36/96/30/752369630.db2.gz ZVAIUEVMPWKCRF-ZDUSSCGKSA-N 1 2 340.387 0.247 20 30 ECEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC=C)CC=C)C[C@H]1OC ZINC001212024124 752418077 /nfs/dbraw/zinc/41/80/77/752418077.db2.gz KFBHUVFJWPYCAG-HZPDHXFCSA-N 1 2 335.448 0.969 20 30 ECEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)N(CC=C)CC=C)C[C@H]1OC ZINC001212024124 752418081 /nfs/dbraw/zinc/41/80/81/752418081.db2.gz KFBHUVFJWPYCAG-HZPDHXFCSA-N 1 2 335.448 0.969 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)C(F)(F)F)C2)nn1 ZINC001105364898 752442936 /nfs/dbraw/zinc/44/29/36/752442936.db2.gz COCGNYISROHHPY-UHFFFAOYSA-N 1 2 329.326 0.973 20 30 ECEDLO N#Cc1cc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c[nH]1 ZINC000937853773 752574127 /nfs/dbraw/zinc/57/41/27/752574127.db2.gz SBATUZYNKMEVDZ-IACUBPJLSA-N 1 2 338.371 0.744 20 30 ECEDLO N#Cc1cc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c[nH]1 ZINC000937853773 752574133 /nfs/dbraw/zinc/57/41/33/752574133.db2.gz SBATUZYNKMEVDZ-IACUBPJLSA-N 1 2 338.371 0.744 20 30 ECEDLO C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001075919799 752658900 /nfs/dbraw/zinc/65/89/00/752658900.db2.gz CHHODPHKBCESMA-UONOGXRCSA-N 1 2 334.420 0.659 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(F)cc2)[C@H](OC)C1 ZINC001211764762 752676390 /nfs/dbraw/zinc/67/63/90/752676390.db2.gz NIWYDXYQRSFXPE-DAXOMENPSA-N 1 2 349.406 0.945 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(F)cc2)[C@H](OC)C1 ZINC001211764762 752676395 /nfs/dbraw/zinc/67/63/95/752676395.db2.gz NIWYDXYQRSFXPE-DAXOMENPSA-N 1 2 349.406 0.945 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000988773073 752737178 /nfs/dbraw/zinc/73/71/78/752737178.db2.gz YZSRZXUPTXKPQW-RISCZKNCSA-N 1 2 326.360 0.502 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)nc2)C[C@H]1OC ZINC001212178110 752775110 /nfs/dbraw/zinc/77/51/10/752775110.db2.gz JDFWJCIOVXPWJR-IIDMSEBBSA-N 1 2 349.431 0.733 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)nc2)C[C@H]1OC ZINC001212178110 752775114 /nfs/dbraw/zinc/77/51/14/752775114.db2.gz JDFWJCIOVXPWJR-IIDMSEBBSA-N 1 2 349.431 0.733 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccnc(OC)c2)C[C@H]1OC ZINC001212178172 752781584 /nfs/dbraw/zinc/78/15/84/752781584.db2.gz KYUCHOPQHUDURQ-RKVPGOIHSA-N 1 2 349.431 0.733 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ccnc(OC)c2)C[C@H]1OC ZINC001212178172 752781588 /nfs/dbraw/zinc/78/15/88/752781588.db2.gz KYUCHOPQHUDURQ-RKVPGOIHSA-N 1 2 349.431 0.733 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001007684366 752783671 /nfs/dbraw/zinc/78/36/71/752783671.db2.gz DMTSDVTZIQRJPC-NWDGAFQWSA-N 1 2 339.827 0.879 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001007684366 752783673 /nfs/dbraw/zinc/78/36/73/752783673.db2.gz DMTSDVTZIQRJPC-NWDGAFQWSA-N 1 2 339.827 0.879 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1nnc([C@H]2CCCOC2)o1 ZINC001126377949 753047781 /nfs/dbraw/zinc/04/77/81/753047781.db2.gz HAAKINCITSGXAP-BLLLJJGKSA-N 1 2 338.408 0.497 20 30 ECEDLO CCOc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)s1 ZINC001051489208 762188261 /nfs/dbraw/zinc/18/82/61/762188261.db2.gz YKEGNZVRZWRSMM-QWRGUYRKSA-N 1 2 339.421 0.413 20 30 ECEDLO C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@]3(C)CCCS3(=O)=O)C[C@@]2(C)C1 ZINC000982642152 753191873 /nfs/dbraw/zinc/19/18/73/753191873.db2.gz QBKZSCFZABJUJL-BBWFWOEESA-N 1 2 338.473 0.757 20 30 ECEDLO C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@]3(C)CCCS3(=O)=O)C[C@@]2(C)C1 ZINC000982642152 753191877 /nfs/dbraw/zinc/19/18/77/753191877.db2.gz QBKZSCFZABJUJL-BBWFWOEESA-N 1 2 338.473 0.757 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000982739926 753450319 /nfs/dbraw/zinc/45/03/19/753450319.db2.gz RGJGXVUBVUKFEI-CVEARBPZSA-N 1 2 340.427 0.824 20 30 ECEDLO Cc1c(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)cnn1C ZINC001083342846 753614160 /nfs/dbraw/zinc/61/41/60/753614160.db2.gz SXWMIYVQQFUXOX-CABCVRRESA-N 1 2 345.428 0.637 20 30 ECEDLO Cc1c(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)cnn1C ZINC001083342846 753614166 /nfs/dbraw/zinc/61/41/66/753614166.db2.gz SXWMIYVQQFUXOX-CABCVRRESA-N 1 2 345.428 0.637 20 30 ECEDLO N#Cc1cc(C[N@@H+]2C[C@@H](NC(=O)Cc3cc[nH]n3)[C@@H](O)C2)ccc1F ZINC001083381520 753743802 /nfs/dbraw/zinc/74/38/02/753743802.db2.gz OIXVMWYVSZLSBL-CVEARBPZSA-N 1 2 343.362 0.324 20 30 ECEDLO N#Cc1cc(C[N@H+]2C[C@@H](NC(=O)Cc3cc[nH]n3)[C@@H](O)C2)ccc1F ZINC001083381520 753743806 /nfs/dbraw/zinc/74/38/06/753743806.db2.gz OIXVMWYVSZLSBL-CVEARBPZSA-N 1 2 343.362 0.324 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)c1 ZINC001083392711 753795047 /nfs/dbraw/zinc/79/50/47/753795047.db2.gz VEMJGUBRBVNUPS-CABCVRRESA-N 1 2 341.396 0.795 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)c1 ZINC001083392711 753795053 /nfs/dbraw/zinc/79/50/53/753795053.db2.gz VEMJGUBRBVNUPS-CABCVRRESA-N 1 2 341.396 0.795 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCN(C)c1nccnc1C#N ZINC001105577362 753851290 /nfs/dbraw/zinc/85/12/90/753851290.db2.gz OUIRXMDFSMDCNJ-LBPRGKRZSA-N 1 2 327.392 0.845 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCN(C)c1nccnc1C#N ZINC001105577362 753851295 /nfs/dbraw/zinc/85/12/95/753851295.db2.gz OUIRXMDFSMDCNJ-LBPRGKRZSA-N 1 2 327.392 0.845 20 30 ECEDLO C=CCOc1cccnc1C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000989451175 753952362 /nfs/dbraw/zinc/95/23/62/753952362.db2.gz FCTNUFXXJHGODX-UHFFFAOYSA-N 1 2 346.431 0.883 20 30 ECEDLO C=CCOc1cccnc1C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000989451175 753952365 /nfs/dbraw/zinc/95/23/65/753952365.db2.gz FCTNUFXXJHGODX-UHFFFAOYSA-N 1 2 346.431 0.883 20 30 ECEDLO C[C@@H](CCNC(=O)CSCC#N)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001075678034 754015634 /nfs/dbraw/zinc/01/56/34/754015634.db2.gz JMPCETCIXQDXDH-STQMWFEESA-N 1 2 349.460 0.713 20 30 ECEDLO C[C@@H](CCNC(=O)CSCC#N)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001075678386 754030512 /nfs/dbraw/zinc/03/05/12/754030512.db2.gz YYRZXFCAYXMEJG-STQMWFEESA-N 1 2 349.460 0.713 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccc(C)s3)C2)nn1 ZINC001105376717 754046958 /nfs/dbraw/zinc/04/69/58/754046958.db2.gz DHTAEOBRCPEUKD-UHFFFAOYSA-N 1 2 329.429 0.997 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H](CC)C(N)=O)C2)nn1 ZINC001008826894 754166003 /nfs/dbraw/zinc/16/60/03/754166003.db2.gz VQYOEWMORMAGJO-OCCSQVGLSA-N 1 2 334.424 0.312 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@@H](CC)C(N)=O)C2)nn1 ZINC001008826894 754166007 /nfs/dbraw/zinc/16/60/07/754166007.db2.gz VQYOEWMORMAGJO-OCCSQVGLSA-N 1 2 334.424 0.312 20 30 ECEDLO Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)o1 ZINC001051524358 762275667 /nfs/dbraw/zinc/27/56/67/762275667.db2.gz SXTZDCDHUSIVMP-GFCCVEGCSA-N 1 2 330.348 0.209 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000983012116 754423771 /nfs/dbraw/zinc/42/37/71/754423771.db2.gz KNYJAVKVXQATTD-LBPRGKRZSA-N 1 2 340.387 0.441 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3cn(CC)nn3)C2)C1=O ZINC001009025568 754448299 /nfs/dbraw/zinc/44/82/99/754448299.db2.gz YDHRISHVIBEHOF-ZFWWWQNUSA-N 1 2 346.435 0.279 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cn(CC)nn3)C2)C1=O ZINC001009025568 754448302 /nfs/dbraw/zinc/44/83/02/754448302.db2.gz YDHRISHVIBEHOF-ZFWWWQNUSA-N 1 2 346.435 0.279 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3oncc3C)C2)C1=O ZINC001009077334 754514276 /nfs/dbraw/zinc/51/42/76/754514276.db2.gz XABNGDDYPWNGBQ-ZIAGYGMSSA-N 1 2 332.404 0.964 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3oncc3C)C2)C1=O ZINC001009077334 754514279 /nfs/dbraw/zinc/51/42/79/754514279.db2.gz XABNGDDYPWNGBQ-ZIAGYGMSSA-N 1 2 332.404 0.964 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC001009122877 754554313 /nfs/dbraw/zinc/55/43/13/754554313.db2.gz HTOGQXZRPAMUKS-CYBMUJFWSA-N 1 2 332.404 0.587 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001009122877 754554317 /nfs/dbraw/zinc/55/43/17/754554317.db2.gz HTOGQXZRPAMUKS-CYBMUJFWSA-N 1 2 332.404 0.587 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CCC[N@@H+]([C@@H](CC)C(N)=O)C1 ZINC001009265203 754721747 /nfs/dbraw/zinc/72/17/47/754721747.db2.gz XCXHPNNUNMXHHI-HIFRSBDPSA-N 1 2 344.415 0.552 20 30 ECEDLO C#CCOc1ncccc1C(=O)N[C@@H]1CCC[N@H+]([C@@H](CC)C(N)=O)C1 ZINC001009265203 754721751 /nfs/dbraw/zinc/72/17/51/754721751.db2.gz XCXHPNNUNMXHHI-HIFRSBDPSA-N 1 2 344.415 0.552 20 30 ECEDLO Cc1nnc([C@@H](C)[NH2+]C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)o1 ZINC001051562294 762343591 /nfs/dbraw/zinc/34/35/91/762343591.db2.gz GZRBDIMJFPPAEL-YGRLFVJLSA-N 1 2 344.375 0.770 20 30 ECEDLO Cn1cnnc1C[N@@H+]1CC[C@@]2(NC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12 ZINC000990268049 754910804 /nfs/dbraw/zinc/91/08/04/754910804.db2.gz UXXCSRDUYPIACT-PBHICJAKSA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1cnnc1C[N@H+]1CC[C@@]2(NC(=O)c3c[nH]c(C#N)c3)CCC[C@@H]12 ZINC000990268049 754910809 /nfs/dbraw/zinc/91/08/09/754910809.db2.gz UXXCSRDUYPIACT-PBHICJAKSA-N 1 2 339.403 0.942 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001009464217 754920405 /nfs/dbraw/zinc/92/04/05/754920405.db2.gz YCCNMSMGVGRERU-NSHDSACASA-N 1 2 328.800 0.214 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001009464217 754920411 /nfs/dbraw/zinc/92/04/11/754920411.db2.gz YCCNMSMGVGRERU-NSHDSACASA-N 1 2 328.800 0.214 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)C[C@H]3CCCO3)C2)nn1 ZINC001105379288 755281129 /nfs/dbraw/zinc/28/11/29/755281129.db2.gz TXSSCBWXFOJMQN-XJKSGUPXSA-N 1 2 331.420 0.589 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3nnc(C)s3)C2)nn1 ZINC001028851610 755308883 /nfs/dbraw/zinc/30/88/83/755308883.db2.gz RPMWOMCMUFIGBB-GFCCVEGCSA-N 1 2 347.448 0.876 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3nnc(C)s3)C2)nn1 ZINC001028851610 755308886 /nfs/dbraw/zinc/30/88/86/755308886.db2.gz RPMWOMCMUFIGBB-GFCCVEGCSA-N 1 2 347.448 0.876 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@H](Nc2ccc(C#N)nn2)C1 ZINC001059127828 755405378 /nfs/dbraw/zinc/40/53/78/755405378.db2.gz VEVGFIYWVLHVDJ-ZDUSSCGKSA-N 1 2 325.376 0.727 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@]34C[C@H]3COC4)[C@@H](O)C2)cc1F ZINC001083476139 755603173 /nfs/dbraw/zinc/60/31/73/755603173.db2.gz WMRFKEARLRXESF-DNMXQMFDSA-N 1 2 345.374 0.395 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@]34C[C@H]3COC4)[C@@H](O)C2)cc1F ZINC001083476139 755603175 /nfs/dbraw/zinc/60/31/75/755603175.db2.gz WMRFKEARLRXESF-DNMXQMFDSA-N 1 2 345.374 0.395 20 30 ECEDLO C[C@@H]1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001010283414 755939348 /nfs/dbraw/zinc/93/93/48/755939348.db2.gz ZKPRLWOKKANWOV-NEPJUHHUSA-N 1 2 340.387 0.819 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(CC)[nH]n2)CC1 ZINC001010409922 756094809 /nfs/dbraw/zinc/09/48/09/756094809.db2.gz VMRUTYYOHPAGKU-INIZCTEOSA-N 1 2 343.431 0.354 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(CC)[nH]n2)CC1 ZINC001010409922 756094812 /nfs/dbraw/zinc/09/48/12/756094812.db2.gz VMRUTYYOHPAGKU-INIZCTEOSA-N 1 2 343.431 0.354 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC[C@@H](C)OC)C2)nn1 ZINC001098661940 756135876 /nfs/dbraw/zinc/13/58/76/756135876.db2.gz UWWRNHUTVHPMBN-ZBFHGGJFSA-N 1 2 333.436 0.980 20 30 ECEDLO C=CCOCC(=O)NCC[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001060102344 756140840 /nfs/dbraw/zinc/14/08/40/756140840.db2.gz SMHZMLVMNAVGLS-OAHLLOKOSA-N 1 2 348.447 0.910 20 30 ECEDLO CN(C(=O)CCc1[nH]cc[nH+]1)C1CC(Nc2ccnc(C#N)n2)C1 ZINC001126920292 756186715 /nfs/dbraw/zinc/18/67/15/756186715.db2.gz PBIYVXKUGBGQDH-UHFFFAOYSA-N 1 2 325.376 0.527 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)c1 ZINC001010544856 756225860 /nfs/dbraw/zinc/22/58/60/756225860.db2.gz MGWVHRRAMDJIHD-HIFRSBDPSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCNC(=O)C3)C2)c1 ZINC001010544856 756225862 /nfs/dbraw/zinc/22/58/62/756225862.db2.gz MGWVHRRAMDJIHD-HIFRSBDPSA-N 1 2 344.390 0.914 20 30 ECEDLO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001010634803 756331366 /nfs/dbraw/zinc/33/13/66/756331366.db2.gz DOJQGGIHCVDXJD-GFCCVEGCSA-N 1 2 326.360 0.689 20 30 ECEDLO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001010634803 756331370 /nfs/dbraw/zinc/33/13/70/756331370.db2.gz DOJQGGIHCVDXJD-GFCCVEGCSA-N 1 2 326.360 0.689 20 30 ECEDLO C[C@@H](CCNC(=O)CCc1[nH]cc[nH+]1)NC(=O)c1ccc(C#N)[nH]1 ZINC001076321979 756370626 /nfs/dbraw/zinc/37/06/26/756370626.db2.gz XOTQVALQFNJZOY-NSHDSACASA-N 1 2 328.376 0.867 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC001076440175 756517794 /nfs/dbraw/zinc/51/77/94/756517794.db2.gz WXEKVWWMZYOQNN-OWCLPIDISA-N 1 2 338.473 0.757 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCCS(=O)(=O)C3)[C@@H]2C1 ZINC001076440175 756517801 /nfs/dbraw/zinc/51/78/01/756517801.db2.gz WXEKVWWMZYOQNN-OWCLPIDISA-N 1 2 338.473 0.757 20 30 ECEDLO C#CCOCCC(=O)NCC[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001076506248 756590402 /nfs/dbraw/zinc/59/04/02/756590402.db2.gz OSWQKBXEURCMGY-GJZGRUSLSA-N 1 2 346.431 0.496 20 30 ECEDLO N#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)[nH]1 ZINC000990893903 756723080 /nfs/dbraw/zinc/72/30/80/756723080.db2.gz VHIGQFUBUATHAQ-NSHDSACASA-N 1 2 338.371 0.286 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001011028163 756790161 /nfs/dbraw/zinc/79/01/61/756790161.db2.gz RJBJHWOFKDHDRS-UHFFFAOYSA-N 1 2 326.360 0.445 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ncccc2O)CC1 ZINC001011036370 756809348 /nfs/dbraw/zinc/80/93/48/756809348.db2.gz JPYYSQAKAYVZGC-AWEZNQCLSA-N 1 2 342.399 0.169 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ncccc2O)CC1 ZINC001011036370 756809355 /nfs/dbraw/zinc/80/93/55/756809355.db2.gz JPYYSQAKAYVZGC-AWEZNQCLSA-N 1 2 342.399 0.169 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)cn1 ZINC001011061617 756856293 /nfs/dbraw/zinc/85/62/93/756856293.db2.gz AOFFANDINKOHOO-UHFFFAOYSA-N 1 2 337.383 0.703 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3CCCC3)C2)C1=O ZINC001076697951 756873208 /nfs/dbraw/zinc/87/32/08/756873208.db2.gz PIKDKXGOZWWSKJ-BZUAXINKSA-N 1 2 335.448 0.515 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC3CCCC3)C2)C1=O ZINC001076697951 756873211 /nfs/dbraw/zinc/87/32/11/756873211.db2.gz PIKDKXGOZWWSKJ-BZUAXINKSA-N 1 2 335.448 0.515 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(=O)[nH]n3)C2)s1 ZINC001076713263 756904138 /nfs/dbraw/zinc/90/41/38/756904138.db2.gz SIJAATUHFJUBEE-CHWSQXEVSA-N 1 2 345.384 0.090 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(=O)[nH]n3)C2)s1 ZINC001076713263 756904141 /nfs/dbraw/zinc/90/41/41/756904141.db2.gz SIJAATUHFJUBEE-CHWSQXEVSA-N 1 2 345.384 0.090 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3CCCCC3)C2)C1=O ZINC001076717578 756912734 /nfs/dbraw/zinc/91/27/34/756912734.db2.gz LASPBSRUZSRWGN-IXDOHACOSA-N 1 2 349.475 0.905 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC3CCCCC3)C2)C1=O ZINC001076717578 756912738 /nfs/dbraw/zinc/91/27/38/756912738.db2.gz LASPBSRUZSRWGN-IXDOHACOSA-N 1 2 349.475 0.905 20 30 ECEDLO C=CCCC(=O)NCc1cn(C2C[NH+](CCn3cccn3)C2)nn1 ZINC001107140398 756961034 /nfs/dbraw/zinc/96/10/34/756961034.db2.gz CREFFSFEQUYICS-UHFFFAOYSA-N 1 2 329.408 0.614 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCCO3)C2)cc1F ZINC001076757984 756976019 /nfs/dbraw/zinc/97/60/19/756976019.db2.gz IANZBRRZIWWLBW-DJIMGWMZSA-N 1 2 347.390 0.928 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCCO3)C2)cc1F ZINC001076757984 756976025 /nfs/dbraw/zinc/97/60/25/756976025.db2.gz IANZBRRZIWWLBW-DJIMGWMZSA-N 1 2 347.390 0.928 20 30 ECEDLO C=CCOCC(=O)NCc1cn(C2C[NH+](C[C@@H]3CCCCO3)C2)nn1 ZINC001107146508 757039708 /nfs/dbraw/zinc/03/97/08/757039708.db2.gz LTRGSXAPDQKWOS-INIZCTEOSA-N 1 2 349.435 0.523 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)C[C@H]3CCOC3)nn2)C1 ZINC001107150716 757068895 /nfs/dbraw/zinc/06/88/95/757068895.db2.gz WTPUEWFTQKSPEL-CQSZACIVSA-N 1 2 349.435 0.380 20 30 ECEDLO C#CCCCC(=O)N1CC[C@H](n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001098666799 757110406 /nfs/dbraw/zinc/11/04/06/757110406.db2.gz HPJRDLZNVCLCDF-KRWDZBQOSA-N 1 2 343.431 0.594 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 ZINC001048825076 757117849 /nfs/dbraw/zinc/11/78/49/757117849.db2.gz RWJOYQLAZIXDRB-KCXAZCMYSA-N 1 2 344.415 0.032 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1 ZINC001048825076 757117854 /nfs/dbraw/zinc/11/78/54/757117854.db2.gz RWJOYQLAZIXDRB-KCXAZCMYSA-N 1 2 344.415 0.032 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)C1=COCCC1 ZINC001076790956 757160308 /nfs/dbraw/zinc/16/03/08/757160308.db2.gz ZLQHVWMDOCIRSO-QZTJIDSGSA-N 1 2 326.396 0.894 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)C1=COCCC1 ZINC001076790956 757160310 /nfs/dbraw/zinc/16/03/10/757160310.db2.gz ZLQHVWMDOCIRSO-QZTJIDSGSA-N 1 2 326.396 0.894 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[C@](C)(O)C3CC3)nn2)C1 ZINC001107160811 757185278 /nfs/dbraw/zinc/18/52/78/757185278.db2.gz KVMSKYNHLCUVKS-KRWDZBQOSA-N 1 2 333.436 0.878 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001011205985 757186001 /nfs/dbraw/zinc/18/60/01/757186001.db2.gz TWXDKIOVRCINKV-CVEARBPZSA-N 1 2 346.431 0.615 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCCC(=O)NC)nn2)C1 ZINC001107162483 757193587 /nfs/dbraw/zinc/19/35/87/757193587.db2.gz MLBBOZSJKVNYKR-UHFFFAOYSA-N 1 2 334.424 0.243 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCc1cn(C2C[NH+](CCOC(C)C)C2)nn1 ZINC001107169860 757208197 /nfs/dbraw/zinc/20/81/97/757208197.db2.gz WVESKEYLZWZFGL-AWEZNQCLSA-N 1 2 349.435 0.214 20 30 ECEDLO C=CCC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1O ZINC001048866719 757229793 /nfs/dbraw/zinc/22/97/93/757229793.db2.gz WOCKERPFFBVQLB-KBPBESRZSA-N 1 2 348.447 0.975 20 30 ECEDLO C=CCC(C)(C)C(=O)N(C)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1O ZINC001048866733 757229898 /nfs/dbraw/zinc/22/98/98/757229898.db2.gz WURPEWHQARQULK-GJZGRUSLSA-N 1 2 348.447 0.595 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CO[C@@H](C)C3)nn2)C1 ZINC001107182577 757317741 /nfs/dbraw/zinc/31/77/41/757317741.db2.gz XINBMESIUMOSBR-KBPBESRZSA-N 1 2 349.435 0.379 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C3(CC#C)CCC3)nn2)C1 ZINC001107178142 757331503 /nfs/dbraw/zinc/33/15/03/757331503.db2.gz JLVNLXOSDJDIIT-UHFFFAOYSA-N 1 2 325.416 0.968 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)c1 ZINC001076855774 757398133 /nfs/dbraw/zinc/39/81/33/757398133.db2.gz MLFJKGBTROWPNX-QZTJIDSGSA-N 1 2 334.379 0.713 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)c1 ZINC001076855774 757398147 /nfs/dbraw/zinc/39/81/47/757398147.db2.gz MLFJKGBTROWPNX-QZTJIDSGSA-N 1 2 334.379 0.713 20 30 ECEDLO C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001048917044 757405854 /nfs/dbraw/zinc/40/58/54/757405854.db2.gz ZGDNFQQNIHOGGS-KBMXLJTQSA-N 1 2 348.447 0.975 20 30 ECEDLO C=CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001048917044 757405862 /nfs/dbraw/zinc/40/58/62/757405862.db2.gz ZGDNFQQNIHOGGS-KBMXLJTQSA-N 1 2 348.447 0.975 20 30 ECEDLO N#Cc1cc(C(=O)N2CC[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)c[nH]1 ZINC001021428542 757430621 /nfs/dbraw/zinc/43/06/21/757430621.db2.gz PWQOUAGBYPABIE-SMDDNHRTSA-N 1 2 338.371 0.525 20 30 ECEDLO CCc1noc(C)c1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001076906380 757559230 /nfs/dbraw/zinc/55/92/30/757559230.db2.gz YCBXKYDSMMZLRK-HZPDHXFCSA-N 1 2 343.387 0.720 20 30 ECEDLO CCc1noc(C)c1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001076906380 757559239 /nfs/dbraw/zinc/55/92/39/757559239.db2.gz YCBXKYDSMMZLRK-HZPDHXFCSA-N 1 2 343.387 0.720 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H](C)c3cncnc3)nn2)C1 ZINC001107200124 757589796 /nfs/dbraw/zinc/58/97/96/757589796.db2.gz ZFCSUFUCELAYCM-ZDUSSCGKSA-N 1 2 341.419 0.921 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@]3(C)CCCOC3)nn2)C1 ZINC001107224912 757926270 /nfs/dbraw/zinc/92/62/70/757926270.db2.gz HIDFWHCZLUPYBD-QGZVFWFLSA-N 1 2 331.420 0.591 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cnc(C)o2)C[C@H]1O ZINC001077016285 757970725 /nfs/dbraw/zinc/97/07/25/757970725.db2.gz IWXHLUVDVOFOLU-FPCVCCKLSA-N 1 2 335.404 0.626 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)o2)C[C@H]1O ZINC001077016285 757970732 /nfs/dbraw/zinc/97/07/32/757970732.db2.gz IWXHLUVDVOFOLU-FPCVCCKLSA-N 1 2 335.404 0.626 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCCCC(=O)NC)nn2)C1 ZINC001107241549 757996454 /nfs/dbraw/zinc/99/64/54/757996454.db2.gz YTFNKYYFSKCYDB-UHFFFAOYSA-N 1 2 348.451 0.634 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc[nH]c3)C2)cc1C#N ZINC001077041255 758024110 /nfs/dbraw/zinc/02/41/10/758024110.db2.gz GSOZNYYPDUDORC-HZPDHXFCSA-N 1 2 340.383 0.870 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc[nH]c3)C2)cc1C#N ZINC001077041255 758024120 /nfs/dbraw/zinc/02/41/20/758024120.db2.gz GSOZNYYPDUDORC-HZPDHXFCSA-N 1 2 340.383 0.870 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCc3nccs3)nn2)C1 ZINC001107236512 758026086 /nfs/dbraw/zinc/02/60/86/758026086.db2.gz ZLSRDHDKGJGVIE-UHFFFAOYSA-N 1 2 344.444 0.864 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001011621592 758152210 /nfs/dbraw/zinc/15/22/10/758152210.db2.gz DSYFMVKRXPAPJX-BXUZGUMPSA-N 1 2 340.387 0.582 20 30 ECEDLO O=C(Cc1ncn[nH]1)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2C1 ZINC001049162880 758183737 /nfs/dbraw/zinc/18/37/37/758183737.db2.gz HITIGKRXZMGYSM-CALCHBBNSA-N 1 2 335.411 0.789 20 30 ECEDLO O=C(Cc1ncn[nH]1)N1C[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2C1 ZINC001049162880 758183746 /nfs/dbraw/zinc/18/37/46/758183746.db2.gz HITIGKRXZMGYSM-CALCHBBNSA-N 1 2 335.411 0.789 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001049163375 758185497 /nfs/dbraw/zinc/18/54/97/758185497.db2.gz JAZCJPUBIFHGOC-KBPBESRZSA-N 1 2 334.420 0.585 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)NC/C=C\CNc1ccnc(C#N)n1 ZINC001107297190 758195846 /nfs/dbraw/zinc/19/58/46/758195846.db2.gz AQQBBKQAIQCVFS-IHWYPQMZSA-N 1 2 325.376 0.221 20 30 ECEDLO Cc1nc(N2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](O)C2)cc[nH+]1 ZINC001051656509 762608721 /nfs/dbraw/zinc/60/87/21/762608721.db2.gz AKPFMEPPNVBWLF-GXTWGEPZSA-N 1 2 326.360 0.354 20 30 ECEDLO C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001049193856 758267758 /nfs/dbraw/zinc/26/77/58/758267758.db2.gz XZUODQIAKCRREH-GJZGRUSLSA-N 1 2 348.447 0.739 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2ocnc2C)C[C@H]1O ZINC001077139054 758295685 /nfs/dbraw/zinc/29/56/85/758295685.db2.gz VJYZJSOISNYOAF-UKRRQHHQSA-N 1 2 330.388 0.946 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2ocnc2C)C[C@H]1O ZINC001077139054 758295690 /nfs/dbraw/zinc/29/56/90/758295690.db2.gz VJYZJSOISNYOAF-UKRRQHHQSA-N 1 2 330.388 0.946 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)oc3nc[nH]c(=O)c32)C1 ZINC001077137471 758315028 /nfs/dbraw/zinc/31/50/28/758315028.db2.gz ZFBGPMDKMDACNS-GHMZBOCLSA-N 1 2 330.344 0.035 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)oc3nc[nH]c(=O)c32)C1 ZINC001077137471 758315039 /nfs/dbraw/zinc/31/50/39/758315039.db2.gz ZFBGPMDKMDACNS-GHMZBOCLSA-N 1 2 330.344 0.035 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001011701905 758352236 /nfs/dbraw/zinc/35/22/36/758352236.db2.gz LWRHFLNJGJIBFA-BXUZGUMPSA-N 1 2 340.387 0.961 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C4CC4)CCC3)C2)C1=O ZINC001077460224 762626043 /nfs/dbraw/zinc/62/60/43/762626043.db2.gz UMBHFFNLRNTKCZ-OWCLPIDISA-N 1 2 347.459 0.515 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C4CC4)CCC3)C2)C1=O ZINC001077460224 762626046 /nfs/dbraw/zinc/62/60/46/762626046.db2.gz UMBHFFNLRNTKCZ-OWCLPIDISA-N 1 2 347.459 0.515 20 30 ECEDLO N#Cc1cnccc1NC/C=C/CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001107393581 758451467 /nfs/dbraw/zinc/45/14/67/758451467.db2.gz DQSRAENSGYFZBA-YUKKFKLSSA-N 1 2 336.399 0.919 20 30 ECEDLO N#Cc1cnccc1NC/C=C\CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001107393579 758451515 /nfs/dbraw/zinc/45/15/15/758451515.db2.gz DQSRAENSGYFZBA-DDGIKZQJSA-N 1 2 336.399 0.919 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1O ZINC001049274725 758464296 /nfs/dbraw/zinc/46/42/96/758464296.db2.gz BUYDAJQQMWEPBT-SNPRPXQTSA-N 1 2 334.420 0.585 20 30 ECEDLO C=CC(C)(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001049317323 758509478 /nfs/dbraw/zinc/50/94/78/758509478.db2.gz ZNMGMSJYBVMOQJ-STQMWFEESA-N 1 2 334.420 0.585 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)cn1 ZINC001022294512 758531882 /nfs/dbraw/zinc/53/18/82/758531882.db2.gz JVIVLCZORSZMDP-DOTOQJQBSA-N 1 2 349.394 0.633 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3ccncc3)on2)C1 ZINC001077597679 758651264 /nfs/dbraw/zinc/65/12/64/758651264.db2.gz GAPHSMHKWYFWAE-HUUCEWRRSA-N 1 2 326.356 0.535 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-c3ccncc3)on2)C1 ZINC001077597679 758651271 /nfs/dbraw/zinc/65/12/71/758651271.db2.gz GAPHSMHKWYFWAE-HUUCEWRRSA-N 1 2 326.356 0.535 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)n([C@H](C)C3CC3)n2)C1 ZINC001077273688 758660957 /nfs/dbraw/zinc/66/09/57/758660957.db2.gz DDDQOCNNJHMPGL-KBRIMQKVSA-N 1 2 330.432 0.961 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)n([C@H](C)C3CC3)n2)C1 ZINC001077273688 758660962 /nfs/dbraw/zinc/66/09/62/758660962.db2.gz DDDQOCNNJHMPGL-KBRIMQKVSA-N 1 2 330.432 0.961 20 30 ECEDLO C#CCCCC(=O)N1CC[C@@H](n2cc(C[NH2+][C@@H](C)C(=O)NC)nn2)C1 ZINC001098669208 758823179 /nfs/dbraw/zinc/82/31/79/758823179.db2.gz KGWXVGVINAZFIQ-DZGCQCFKSA-N 1 2 346.435 0.079 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H]1C ZINC001011938291 759003393 /nfs/dbraw/zinc/00/33/93/759003393.db2.gz DIPFXWSEQZCWHI-AAEUAGOBSA-N 1 2 340.387 0.880 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C)nc1 ZINC001011939191 759006178 /nfs/dbraw/zinc/00/61/78/759006178.db2.gz XLGKHYCOMBOARA-WFASDCNBSA-N 1 2 337.383 0.748 20 30 ECEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC)C[C@@H]2O)cc1 ZINC001083578073 759046119 /nfs/dbraw/zinc/04/61/19/759046119.db2.gz UHTKIGBHIOAESR-WQVCFCJDSA-N 1 2 347.415 0.161 20 30 ECEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@@H]2O)cc1 ZINC001083578073 759046129 /nfs/dbraw/zinc/04/61/29/759046129.db2.gz UHTKIGBHIOAESR-WQVCFCJDSA-N 1 2 347.415 0.161 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1nncn1C ZINC001049734411 759146809 /nfs/dbraw/zinc/14/68/09/759146809.db2.gz DWJDJMVGKWMHTH-UGUYLWEFSA-N 1 2 345.447 0.972 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1nncn1C ZINC001049734411 759146812 /nfs/dbraw/zinc/14/68/12/759146812.db2.gz DWJDJMVGKWMHTH-UGUYLWEFSA-N 1 2 345.447 0.972 20 30 ECEDLO CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CCS(=O)(=O)CC1 ZINC001049770461 759184361 /nfs/dbraw/zinc/18/43/61/759184361.db2.gz VEJYAXURNXOOEN-CVEARBPZSA-N 1 2 338.473 0.900 20 30 ECEDLO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CCS(=O)(=O)CC1 ZINC001049770461 759184364 /nfs/dbraw/zinc/18/43/64/759184364.db2.gz VEJYAXURNXOOEN-CVEARBPZSA-N 1 2 338.473 0.900 20 30 ECEDLO Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)Cc2c[nH+]cn2C)n1 ZINC001105913780 762692492 /nfs/dbraw/zinc/69/24/92/762692492.db2.gz IXTYPRNYGOOVEV-AWEZNQCLSA-N 1 2 328.376 0.127 20 30 ECEDLO N#Cc1nccc(N[C@H]2CCCCCN(C(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001049932077 759422246 /nfs/dbraw/zinc/42/22/46/759422246.db2.gz LECWRICZQZLSDH-ZDUSSCGKSA-N 1 2 339.403 0.919 20 30 ECEDLO C#CCCCC(=O)N(C)C[C@H](O)CN(C)c1[nH+]cnc2c1cnn2C ZINC001125095502 759662897 /nfs/dbraw/zinc/66/28/97/759662897.db2.gz ZXMOLNBITZKHPP-ZDUSSCGKSA-N 1 2 344.419 0.422 20 30 ECEDLO C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001050105531 759713924 /nfs/dbraw/zinc/71/39/24/759713924.db2.gz XGCZQPGKEKNVPQ-OLZOCXBDSA-N 1 2 349.460 0.952 20 30 ECEDLO C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001050105531 759713930 /nfs/dbraw/zinc/71/39/30/759713930.db2.gz XGCZQPGKEKNVPQ-OLZOCXBDSA-N 1 2 349.460 0.952 20 30 ECEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CCNC(=O)COC)CC2)C1 ZINC001105709864 759861717 /nfs/dbraw/zinc/86/17/17/759861717.db2.gz YNNWIBORNRRAKW-UHFFFAOYSA-N 1 2 339.436 0.017 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001012444340 760011942 /nfs/dbraw/zinc/01/19/42/760011942.db2.gz BAUKHCISLRBMDE-ZYHUDNBSSA-N 1 2 326.360 0.571 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001012505120 760124235 /nfs/dbraw/zinc/12/42/35/760124235.db2.gz ZTIDTOYBAQXUDA-YGRLFVJLSA-N 1 2 326.360 0.571 20 30 ECEDLO C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000945386035 760180573 /nfs/dbraw/zinc/18/05/73/760180573.db2.gz RFTWTZXUPKGLJK-GXTWGEPZSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCN1c1cncc(C#N)n1 ZINC001050449923 760283125 /nfs/dbraw/zinc/28/31/25/760283125.db2.gz RFYJZVRKWYKTGP-RISCZKNCSA-N 1 2 325.376 0.408 20 30 ECEDLO Cn1cnnc1C[NH+]1CCC2(CN(C(=O)c3cc(C#N)c[nH]3)C2)CC1 ZINC001050476286 760330739 /nfs/dbraw/zinc/33/07/39/760330739.db2.gz HERFYVPRLWKGBT-UHFFFAOYSA-N 1 2 339.403 0.753 20 30 ECEDLO CN(C(=O)CCn1cc[nH+]c1)C1CC(Nc2ccnc(C#N)n2)C1 ZINC001127047194 760465569 /nfs/dbraw/zinc/46/55/69/760465569.db2.gz ISCXNCGVEOJSHQ-UHFFFAOYSA-N 1 2 325.376 0.458 20 30 ECEDLO C[C@H](NC(=O)CSCC#N)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001050571879 760512390 /nfs/dbraw/zinc/51/23/90/760512390.db2.gz HMWMHHICYVDJHR-STQMWFEESA-N 1 2 349.460 0.952 20 30 ECEDLO C#CCNC(=O)CC(=O)NC/C=C/CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001107130587 760531842 /nfs/dbraw/zinc/53/18/42/760531842.db2.gz QUDUVNDUJOMWHC-SNAWJCMRSA-N 1 2 341.415 0.886 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC3(C2)CC[NH+](Cc2nc(=O)n(C)[nH]2)CC3)C1 ZINC001050657257 760632545 /nfs/dbraw/zinc/63/25/45/760632545.db2.gz NNVVJAOXPQPYGK-UHFFFAOYSA-N 1 2 345.447 0.889 20 30 ECEDLO C[C@H](NC(=O)Cc1c[nH+]cn1C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001050666589 760644795 /nfs/dbraw/zinc/64/47/95/760644795.db2.gz QTNKCIYUXAYMMC-DZGCQCFKSA-N 1 2 328.416 0.729 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](CNc2ccnc(C#N)n2)[C@H](C)C1 ZINC001054423283 767969840 /nfs/dbraw/zinc/96/98/40/767969840.db2.gz WVYWBTXJONJTBP-DGCLKSJQSA-N 1 2 339.403 0.551 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001060232705 760730375 /nfs/dbraw/zinc/73/03/75/760730375.db2.gz FTGDACSZYNCRPR-UONOGXRCSA-N 1 2 332.404 0.345 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C[C@H]2CCOC2)C1=O ZINC001017431485 767977343 /nfs/dbraw/zinc/97/73/43/767977343.db2.gz DVSOJUIAFBXHJM-WCXIOVBPSA-N 1 2 347.459 0.875 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C[C@H]2CCOC2)C1=O ZINC001017431485 767977349 /nfs/dbraw/zinc/97/73/49/767977349.db2.gz DVSOJUIAFBXHJM-WCXIOVBPSA-N 1 2 347.459 0.875 20 30 ECEDLO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C#N)c[nH]1 ZINC001017454177 768000874 /nfs/dbraw/zinc/00/08/74/768000874.db2.gz GOFCVVXHBSHARX-BNOWGMLFSA-N 1 2 329.404 0.652 20 30 ECEDLO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C#N)c[nH]1 ZINC001017454177 768000880 /nfs/dbraw/zinc/00/08/80/768000880.db2.gz GOFCVVXHBSHARX-BNOWGMLFSA-N 1 2 329.404 0.652 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCN1c1cncc(C#N)n1 ZINC001048731710 761064840 /nfs/dbraw/zinc/06/48/40/761064840.db2.gz INYVDQCTPQIGDI-UONOGXRCSA-N 1 2 325.376 0.718 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001050919340 761142846 /nfs/dbraw/zinc/14/28/46/761142846.db2.gz HSKLYROKDMKNAI-ZFWWWQNUSA-N 1 2 347.419 0.156 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001050919340 761142851 /nfs/dbraw/zinc/14/28/51/761142851.db2.gz HSKLYROKDMKNAI-ZFWWWQNUSA-N 1 2 347.419 0.156 20 30 ECEDLO C#CCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001048769764 761149579 /nfs/dbraw/zinc/14/95/79/761149579.db2.gz PTHWDYKETJAFOB-KBPBESRZSA-N 1 2 332.404 0.176 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1nnn(C(C)(C)C)n1 ZINC001050927871 761156059 /nfs/dbraw/zinc/15/60/59/761156059.db2.gz SBODMAWDVJPWRQ-CYBMUJFWSA-N 1 2 336.440 0.825 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1nnn(C(C)(C)C)n1 ZINC001050927871 761156060 /nfs/dbraw/zinc/15/60/60/761156060.db2.gz SBODMAWDVJPWRQ-CYBMUJFWSA-N 1 2 336.440 0.825 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn2c(n1)COCC2 ZINC001050981884 761270625 /nfs/dbraw/zinc/27/06/25/761270625.db2.gz MRJLECNBDICGPK-AWEZNQCLSA-N 1 2 334.420 0.810 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn2c(n1)COCC2 ZINC001050981884 761270630 /nfs/dbraw/zinc/27/06/30/761270630.db2.gz MRJLECNBDICGPK-AWEZNQCLSA-N 1 2 334.420 0.810 20 30 ECEDLO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cnc2sccn2c1=O ZINC001051011871 761332423 /nfs/dbraw/zinc/33/24/23/761332423.db2.gz OBOJTYYDZRFPIM-GFCCVEGCSA-N 1 2 346.412 0.210 20 30 ECEDLO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnc2sccn2c1=O ZINC001051011871 761332432 /nfs/dbraw/zinc/33/24/32/761332432.db2.gz OBOJTYYDZRFPIM-GFCCVEGCSA-N 1 2 346.412 0.210 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(N(C)C)nn1 ZINC001051208618 761692318 /nfs/dbraw/zinc/69/23/18/761692318.db2.gz UNVGCCXHKGIPOB-CQSZACIVSA-N 1 2 333.436 0.939 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(N(C)C)nn1 ZINC001051208618 761692321 /nfs/dbraw/zinc/69/23/21/761692321.db2.gz UNVGCCXHKGIPOB-CQSZACIVSA-N 1 2 333.436 0.939 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC001051209630 761693310 /nfs/dbraw/zinc/69/33/10/761693310.db2.gz LKKJLNBGRPLKQO-UONOGXRCSA-N 1 2 333.436 0.693 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC001051209630 761693314 /nfs/dbraw/zinc/69/33/14/761693314.db2.gz LKKJLNBGRPLKQO-UONOGXRCSA-N 1 2 333.436 0.693 20 30 ECEDLO Cc1nc(-n2cccn2)c(C)c(NC[C@@H](O)CNC(=O)[C@H](C)C#N)[nH+]1 ZINC001105773600 761700524 /nfs/dbraw/zinc/70/05/24/761700524.db2.gz KCJYLTGKPPAZNV-ZWNOBZJWSA-N 1 2 343.391 0.328 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2C[C@H]2CCOC2)nc1 ZINC001051215700 761706307 /nfs/dbraw/zinc/70/63/07/761706307.db2.gz ZBKKQRBIBWTAAZ-HZPDHXFCSA-N 1 2 329.400 0.530 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2C[C@H]2CCOC2)nc1 ZINC001051215700 761706313 /nfs/dbraw/zinc/70/63/13/761706313.db2.gz ZBKKQRBIBWTAAZ-HZPDHXFCSA-N 1 2 329.400 0.530 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(-n2cnnn2)cc1 ZINC001051235646 761734416 /nfs/dbraw/zinc/73/44/16/761734416.db2.gz ROOZBEGZVZEJMQ-MRXNPFEDSA-N 1 2 342.403 0.669 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(-n2cnnn2)cc1 ZINC001051235646 761734421 /nfs/dbraw/zinc/73/44/21/761734421.db2.gz ROOZBEGZVZEJMQ-MRXNPFEDSA-N 1 2 342.403 0.669 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nnc(C)n2C1 ZINC001051253475 761770541 /nfs/dbraw/zinc/77/05/41/761770541.db2.gz REIHEMAMGJHDDC-GJZGRUSLSA-N 1 2 333.436 0.542 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nnc(C)n2C1 ZINC001051253475 761770544 /nfs/dbraw/zinc/77/05/44/761770544.db2.gz REIHEMAMGJHDDC-GJZGRUSLSA-N 1 2 333.436 0.542 20 30 ECEDLO C[C@@H](NC(=O)CSCC#N)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001051262693 761787776 /nfs/dbraw/zinc/78/77/76/761787776.db2.gz YSRBNAJAHUYVJC-CHWSQXEVSA-N 1 2 349.460 0.573 20 30 ECEDLO C[C@H](NC(=O)CSCC#N)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001051286682 761828174 /nfs/dbraw/zinc/82/81/74/761828174.db2.gz COZGGTNCRPYGGS-KBPBESRZSA-N 1 2 349.460 0.883 20 30 ECEDLO Cc1nsc(NC[C@@H](O)CNC(=O)Cc2c[nH+]cn2C)c1C#N ZINC001105914555 762704682 /nfs/dbraw/zinc/70/46/82/762704682.db2.gz XSMCFYIJKGMQKI-NSHDSACASA-N 1 2 334.405 0.188 20 30 ECEDLO Cc1ccc(C#N)c(N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H](O)C2)n1 ZINC001051698167 762722475 /nfs/dbraw/zinc/72/24/75/762722475.db2.gz ALGOHEUUKWDEOA-LSDHHAIUSA-N 1 2 340.387 0.214 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(c2ccc(C#N)cn2)C[C@H]1O ZINC001051712052 762765878 /nfs/dbraw/zinc/76/58/78/762765878.db2.gz JYEUGBCVCLKWGX-UKRRQHHQSA-N 1 2 340.387 0.283 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H](O)CNc1nc(C)[nH+]c2c1CCCC2 ZINC001105965623 763096009 /nfs/dbraw/zinc/09/60/09/763096009.db2.gz FIQGHQFPDPETNY-CQSZACIVSA-N 1 2 346.431 0.593 20 30 ECEDLO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)NCCCOC)C[C@H]1OC ZINC001212346965 763147971 /nfs/dbraw/zinc/14/79/71/763147971.db2.gz LOSMECVEWKHKDL-HUUCEWRRSA-N 1 2 341.452 0.311 20 30 ECEDLO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)NCCCOC)C[C@H]1OC ZINC001212346965 763147976 /nfs/dbraw/zinc/14/79/76/763147976.db2.gz LOSMECVEWKHKDL-HUUCEWRRSA-N 1 2 341.452 0.311 20 30 ECEDLO N#Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3ncn[nH]3)CCO2)s1 ZINC001051897161 763260020 /nfs/dbraw/zinc/26/00/20/763260020.db2.gz WAFLQSQMQHQHTL-LLVKDONJSA-N 1 2 346.416 0.298 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2O)C1 ZINC000991773065 763378819 /nfs/dbraw/zinc/37/88/19/763378819.db2.gz UZJQMQGQNDBSMU-CABCVRRESA-N 1 2 346.431 0.397 20 30 ECEDLO C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)O1 ZINC001014925067 763465965 /nfs/dbraw/zinc/46/59/65/763465965.db2.gz OBAYJDRBQSFJFE-ZTFGCOKTSA-N 1 2 342.443 0.968 20 30 ECEDLO C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)O1 ZINC001014925067 763465973 /nfs/dbraw/zinc/46/59/73/763465973.db2.gz OBAYJDRBQSFJFE-ZTFGCOKTSA-N 1 2 342.443 0.968 20 30 ECEDLO C[C@@H](CCNC(=O)CCn1cc[nH+]c1)NC(=O)c1cc(C#N)c[nH]1 ZINC001077572404 763474788 /nfs/dbraw/zinc/47/47/88/763474788.db2.gz TUAOZEBUOFCJLE-LBPRGKRZSA-N 1 2 328.376 0.798 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3COCCO3)C2)CC1 ZINC001051988646 763525512 /nfs/dbraw/zinc/52/55/12/763525512.db2.gz XOFJFRWQFPXKJH-CABCVRRESA-N 1 2 343.855 0.373 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3nc(C)oc3C)C2)nn1 ZINC001098756836 763545332 /nfs/dbraw/zinc/54/53/32/763545332.db2.gz FSHRLXYIIFUSIV-CQSZACIVSA-N 1 2 328.376 0.693 20 30 ECEDLO Cc1cnc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)o1 ZINC001051997799 763549239 /nfs/dbraw/zinc/54/92/39/763549239.db2.gz IPQVAONLFRSRMX-DZGCQCFKSA-N 1 2 331.420 0.861 20 30 ECEDLO Cc1noc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)n1 ZINC001051997983 763550255 /nfs/dbraw/zinc/55/02/55/763550255.db2.gz LNWBELYQWZSLTO-TZMCWYRMSA-N 1 2 332.408 0.256 20 30 ECEDLO CCn1ccc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)n1 ZINC001051998486 763551795 /nfs/dbraw/zinc/55/17/95/763551795.db2.gz UXBJGHVSOVJHDR-WBVHZDCISA-N 1 2 344.463 0.781 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@@H]3COC(=O)C3)C2)CC1 ZINC001052013178 763585154 /nfs/dbraw/zinc/58/51/54/763585154.db2.gz SFTJOBZOPQPQNA-JKSUJKDBSA-N 1 2 333.432 0.181 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)n3cncn3)C2)CC1 ZINC001052017526 763594718 /nfs/dbraw/zinc/59/47/18/763594718.db2.gz MJJMCKBJUFDEPD-HOTGVXAUSA-N 1 2 330.436 0.081 20 30 ECEDLO Cc1nonc1CN1CC[NH+]([C@@H]2CCN(C(=O)C#CC3CC3)C2)CC1 ZINC001052026946 763619911 /nfs/dbraw/zinc/61/99/11/763619911.db2.gz VNNYQRRQDWCABJ-MRXNPFEDSA-N 1 2 343.431 0.510 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)CC1 ZINC001052030424 763629457 /nfs/dbraw/zinc/62/94/57/763629457.db2.gz NUPDEYCHCZNNOW-IXDOHACOSA-N 1 2 346.475 0.143 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn4c(n3)CCCC4)C2)CC1 ZINC001052033040 763636335 /nfs/dbraw/zinc/63/63/35/763636335.db2.gz MIGKPGAMWMTQEX-MRXNPFEDSA-N 1 2 341.459 0.685 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(CC(N)=O)CC2)C1 ZINC001052032960 763636376 /nfs/dbraw/zinc/63/63/76/763636376.db2.gz LBZDENWQQSIIPJ-ZDUSSCGKSA-N 1 2 342.871 0.469 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)CCc3ccnn3C)C2)CC1 ZINC001052035997 763646779 /nfs/dbraw/zinc/64/67/79/763646779.db2.gz WJPXTUUWCAWHOR-SFHVURJKSA-N 1 2 343.475 0.595 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(C)nnn3CC)C2)CC1 ZINC001052036953 763652447 /nfs/dbraw/zinc/65/24/47/763652447.db2.gz YYHWAPRQMPDSAI-MRXNPFEDSA-N 1 2 344.463 0.462 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3c[nH]c(=O)cn3)C2)c(F)c1 ZINC001031933646 763657394 /nfs/dbraw/zinc/65/73/94/763657394.db2.gz FPCIHZFODZDPMN-UHFFFAOYSA-N 1 2 341.346 0.642 20 30 ECEDLO CCc1cccnc1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052045876 763685439 /nfs/dbraw/zinc/68/54/39/763685439.db2.gz XNHKYNGWXAJTRL-INIZCTEOSA-N 1 2 327.432 1.000 20 30 ECEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)nc1 ZINC001106015472 763716705 /nfs/dbraw/zinc/71/67/05/763716705.db2.gz JGLTVGXTYZHGMV-ZIAGYGMSSA-N 1 2 340.387 0.301 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001015036349 763720003 /nfs/dbraw/zinc/72/00/03/763720003.db2.gz QMCFVQZMKOAWKG-OCCSQVGLSA-N 1 2 340.387 0.892 20 30 ECEDLO N#Cc1cncc(NC[C@H](O)CNC(=O)c2cccc3[nH+]ccn32)n1 ZINC001106017774 763724912 /nfs/dbraw/zinc/72/49/12/763724912.db2.gz NNQXGHIVNFWQOW-LBPRGKRZSA-N 1 2 337.343 0.199 20 30 ECEDLO CN(C[C@H](O)CNc1ccc(C#N)nc1)C(=O)CCc1c[nH+]cn1C ZINC001124477605 763725888 /nfs/dbraw/zinc/72/58/88/763725888.db2.gz WGTUGZIRKJVXFA-MRXNPFEDSA-N 1 2 342.403 0.551 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1nc(COC)no1 ZINC001124487639 763742451 /nfs/dbraw/zinc/74/24/51/763742451.db2.gz GCQQPEJYUMWJFS-RYUDHWBXSA-N 1 2 326.397 0.964 20 30 ECEDLO Cc1cc(C2(C(=O)N3CC[C@@H]([NH+]4CCN(CC#N)CC4)C3)CC2)on1 ZINC001052071586 763773413 /nfs/dbraw/zinc/77/34/13/763773413.db2.gz WMHHBBIWXUEAKG-OAHLLOKOSA-N 1 2 343.431 0.757 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ocnc3C3CC3)C2)CC1 ZINC001052081502 763799522 /nfs/dbraw/zinc/79/95/22/763799522.db2.gz CJOCULMEWSFJDS-AWEZNQCLSA-N 1 2 329.404 0.908 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@@H]([NH+]3CCN(CC=C)CC3)C2)nn1 ZINC001052096640 763848166 /nfs/dbraw/zinc/84/81/66/763848166.db2.gz NVMHEHVPNZLSRA-MRXNPFEDSA-N 1 2 344.463 0.872 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCO[C@H]3C(=C)C)C2)CC1 ZINC001052097554 763851424 /nfs/dbraw/zinc/85/14/24/763851424.db2.gz ZNXAGTAMIBYIFW-SQNIBIBYSA-N 1 2 331.460 0.819 20 30 ECEDLO CCCn1cc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)c(C)n1 ZINC001052100217 763860162 /nfs/dbraw/zinc/86/01/62/763860162.db2.gz AACWKIBJQABDCE-MRXNPFEDSA-N 1 2 344.463 0.957 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3nonc3C)C2)CC1 ZINC001052102880 763867992 /nfs/dbraw/zinc/86/79/92/763867992.db2.gz JYROUQOZYQODLU-OAHLLOKOSA-N 1 2 331.420 0.162 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001017596963 768171577 /nfs/dbraw/zinc/17/15/77/768171577.db2.gz PVEBQYSWDAOYAT-OAGGEKHMSA-N 1 2 333.432 0.180 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001017596963 768171586 /nfs/dbraw/zinc/17/15/86/768171586.db2.gz PVEBQYSWDAOYAT-OAGGEKHMSA-N 1 2 333.432 0.180 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn4c3CCCC4)C2)CC1 ZINC001052105824 763877210 /nfs/dbraw/zinc/87/72/10/763877210.db2.gz QWCIBLMTGUKDKJ-MRXNPFEDSA-N 1 2 341.459 0.685 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c4c(nn3C)CCC4)C2)CC1 ZINC001052106972 763884772 /nfs/dbraw/zinc/88/47/72/763884772.db2.gz YHEXDTLZVQGFME-OAHLLOKOSA-N 1 2 343.475 0.927 20 30 ECEDLO COc1cccnc1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052111904 763904980 /nfs/dbraw/zinc/90/49/80/763904980.db2.gz GVKLWSWGWKUJBY-AWEZNQCLSA-N 1 2 329.404 0.446 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3ccsc3)C2)C1=O ZINC001047293142 763905278 /nfs/dbraw/zinc/90/52/78/763905278.db2.gz WAVVOZXHTVTPRD-KKUMJFAQSA-N 1 2 349.456 0.652 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3ccsc3)C2)C1=O ZINC001047293142 763905281 /nfs/dbraw/zinc/90/52/81/763905281.db2.gz WAVVOZXHTVTPRD-KKUMJFAQSA-N 1 2 349.456 0.652 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn4cc[nH]c34)C2)CC1 ZINC001052112178 763906813 /nfs/dbraw/zinc/90/68/13/763906813.db2.gz ONCZHBZYTKQUCL-HNNXBMFYSA-N 1 2 340.431 0.518 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)Cn3c(C)csc3=O)C2)CC1 ZINC001052117659 763928581 /nfs/dbraw/zinc/92/85/81/763928581.db2.gz WKPYHLBARLZTCR-HNNXBMFYSA-N 1 2 348.472 0.070 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCC(=O)N(C)C3)C2)CC1 ZINC001052121842 763943578 /nfs/dbraw/zinc/94/35/78/763943578.db2.gz IMZXINWROOZOLE-SJORKVTESA-N 1 2 346.475 0.097 20 30 ECEDLO Cn1ncc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)c1C1CC1 ZINC001052123861 763951186 /nfs/dbraw/zinc/95/11/86/763951186.db2.gz RREOZLYVXIBCRF-OAHLLOKOSA-N 1 2 342.447 0.653 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nnnn3CC2)[C@H]1C ZINC001088871025 764195702 /nfs/dbraw/zinc/19/57/02/764195702.db2.gz RYYADVGOOLHUBR-UPJWGTAASA-N 1 2 338.843 0.957 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nnnn3CC2)[C@H]1C ZINC001088871025 764195707 /nfs/dbraw/zinc/19/57/07/764195707.db2.gz RYYADVGOOLHUBR-UPJWGTAASA-N 1 2 338.843 0.957 20 30 ECEDLO C=CCOCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]cn1C)C2 ZINC001047399268 764219688 /nfs/dbraw/zinc/21/96/88/764219688.db2.gz MXYRYIRXYANFLR-KKUMJFAQSA-N 1 2 346.431 0.661 20 30 ECEDLO C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC001047407097 764247633 /nfs/dbraw/zinc/24/76/33/764247633.db2.gz ZBLSAAGPPYSMIN-SOUVJXGZSA-N 1 2 344.477 0.423 20 30 ECEDLO C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC001047407097 764247637 /nfs/dbraw/zinc/24/76/37/764247637.db2.gz ZBLSAAGPPYSMIN-SOUVJXGZSA-N 1 2 344.477 0.423 20 30 ECEDLO C=CCCn1cc(C(=O)NCC2C[NH+]([C@H](C)C(=O)NC3CC3)C2)nn1 ZINC001032041856 764258188 /nfs/dbraw/zinc/25/81/88/764258188.db2.gz DQXAZDZRWKJYAC-GFCCVEGCSA-N 1 2 346.435 0.183 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](O)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001106066435 764274644 /nfs/dbraw/zinc/27/46/44/764274644.db2.gz DISVCIQKJOKOHG-UONOGXRCSA-N 1 2 347.463 0.956 20 30 ECEDLO C=C[C@@H](CC)CC(=O)NC[C@@H](O)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106066435 764274652 /nfs/dbraw/zinc/27/46/52/764274652.db2.gz DISVCIQKJOKOHG-UONOGXRCSA-N 1 2 347.463 0.956 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC001047442907 764361280 /nfs/dbraw/zinc/36/12/80/764361280.db2.gz MRJQYAFKFZMUEL-QWRGUYRKSA-N 1 2 330.310 0.189 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC001047442907 764361287 /nfs/dbraw/zinc/36/12/87/764361287.db2.gz MRJQYAFKFZMUEL-QWRGUYRKSA-N 1 2 330.310 0.189 20 30 ECEDLO CN(C(=O)c1cncn1C)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047446707 764372771 /nfs/dbraw/zinc/37/27/71/764372771.db2.gz OTDSEQSBXJGXTE-ROUUACIJSA-N 1 2 338.411 0.589 20 30 ECEDLO CN(C(=O)c1cncn1C)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047446707 764372778 /nfs/dbraw/zinc/37/27/78/764372778.db2.gz OTDSEQSBXJGXTE-ROUUACIJSA-N 1 2 338.411 0.589 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@@H]2C)nn1 ZINC001088910891 764428591 /nfs/dbraw/zinc/42/85/91/764428591.db2.gz NQBDDVVSXCXZLR-OCCSQVGLSA-N 1 2 346.435 0.325 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@@H]2C)nn1 ZINC001088910891 764428594 /nfs/dbraw/zinc/42/85/94/764428594.db2.gz NQBDDVVSXCXZLR-OCCSQVGLSA-N 1 2 346.435 0.325 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3cc(C)nn3c2C)C1 ZINC001047479055 764462890 /nfs/dbraw/zinc/46/28/90/764462890.db2.gz IVDUEAIPVXATBX-GJZGRUSLSA-N 1 2 327.388 0.096 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc3cc(C)nn3c2C)C1 ZINC001047479055 764462896 /nfs/dbraw/zinc/46/28/96/764462896.db2.gz IVDUEAIPVXATBX-GJZGRUSLSA-N 1 2 327.388 0.096 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3cocc3C)C2)C1=O ZINC001047488521 764491017 /nfs/dbraw/zinc/49/10/17/764491017.db2.gz ASKIFPYQQPOGHK-PMPSAXMXSA-N 1 2 347.415 0.492 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)c3cocc3C)C2)C1=O ZINC001047488521 764491024 /nfs/dbraw/zinc/49/10/24/764491024.db2.gz ASKIFPYQQPOGHK-PMPSAXMXSA-N 1 2 347.415 0.492 20 30 ECEDLO C=CCC1(C(=O)NC[C@@H](O)CNc2[nH+]cnc3c2cnn3C)CCC1 ZINC001106079250 764657139 /nfs/dbraw/zinc/65/71/39/764657139.db2.gz YJIRMKDWULVYQU-LBPRGKRZSA-N 1 2 344.419 0.999 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2conc2CC)C[C@H]1OC ZINC001212193738 764755141 /nfs/dbraw/zinc/75/51/41/764755141.db2.gz KCKTYQXJFWPMBK-BFYDXBDKSA-N 1 2 337.420 0.880 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2conc2CC)C[C@H]1OC ZINC001212193738 764755146 /nfs/dbraw/zinc/75/51/46/764755146.db2.gz KCKTYQXJFWPMBK-BFYDXBDKSA-N 1 2 337.420 0.880 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3cc(OC)no3)C2)cn1 ZINC001032138107 764791133 /nfs/dbraw/zinc/79/11/33/764791133.db2.gz LQGPPVCLISSGAQ-UHFFFAOYSA-N 1 2 326.356 0.921 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(Cn3cccn3)on2)C1 ZINC001047591048 764802569 /nfs/dbraw/zinc/80/25/69/764802569.db2.gz NUOMGBPBHVNRND-HOTGVXAUSA-N 1 2 343.387 0.060 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(Cn3cccn3)on2)C1 ZINC001047591048 764802580 /nfs/dbraw/zinc/80/25/80/764802580.db2.gz NUOMGBPBHVNRND-HOTGVXAUSA-N 1 2 343.387 0.060 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@H+](Cc3conc3C)C[C@@H]2O)cn1 ZINC001047599041 764834844 /nfs/dbraw/zinc/83/48/44/764834844.db2.gz DLEAQCHQTAWVJI-IRXDYDNUSA-N 1 2 340.383 0.677 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](Cc3conc3C)C[C@@H]2O)cn1 ZINC001047599041 764834845 /nfs/dbraw/zinc/83/48/45/764834845.db2.gz DLEAQCHQTAWVJI-IRXDYDNUSA-N 1 2 340.383 0.677 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CN(Cc3c[nH+]cn3C)C[C@@H]2O)nc1 ZINC001047599688 764839545 /nfs/dbraw/zinc/83/95/45/764839545.db2.gz DORZNGZDAFEEPK-IRXDYDNUSA-N 1 2 339.399 0.114 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCNC3=O)C2)c(F)c1 ZINC001015513099 764844727 /nfs/dbraw/zinc/84/47/27/764844727.db2.gz ZYATZHZDXHNQJC-KBPBESRZSA-N 1 2 330.363 0.524 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCNC3=O)C2)c(F)c1 ZINC001015513099 764844736 /nfs/dbraw/zinc/84/47/36/764844736.db2.gz ZYATZHZDXHNQJC-KBPBESRZSA-N 1 2 330.363 0.524 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)[nH]1 ZINC001015544324 764920035 /nfs/dbraw/zinc/92/00/35/764920035.db2.gz GZMZMJRZYCOQHX-VXGBXAGGSA-N 1 2 340.387 0.867 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3[nH]ncc3F)CC2)C1=O ZINC001052691759 764996527 /nfs/dbraw/zinc/99/65/27/764996527.db2.gz YHJCVMKIZURGBQ-TZMCWYRMSA-N 1 2 349.410 0.920 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3[nH]ncc3F)CC2)C1=O ZINC001052691759 764996535 /nfs/dbraw/zinc/99/65/35/764996535.db2.gz YHJCVMKIZURGBQ-TZMCWYRMSA-N 1 2 349.410 0.920 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2CC2)C[C@H]1Nc1ccnc(C#N)n1 ZINC001052714119 765033425 /nfs/dbraw/zinc/03/34/25/765033425.db2.gz HNLAJKZJIZFOML-CHWSQXEVSA-N 1 2 337.387 0.320 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ncc(F)cn2)C1 ZINC001052727210 765047044 /nfs/dbraw/zinc/04/70/44/765047044.db2.gz IMAKKQMYASPOOY-CYZMBNFOSA-N 1 2 343.366 0.915 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c1 ZINC001015633813 765106741 /nfs/dbraw/zinc/10/67/41/765106741.db2.gz JAVTUKFTEABBMB-OCCSQVGLSA-N 1 2 331.351 0.069 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)c1 ZINC001015633813 765106743 /nfs/dbraw/zinc/10/67/43/765106743.db2.gz JAVTUKFTEABBMB-OCCSQVGLSA-N 1 2 331.351 0.069 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CCCC3)C2)c1 ZINC001015678607 765150654 /nfs/dbraw/zinc/15/06/54/765150654.db2.gz KRYMLLQOVWGIDT-KRWDZBQOSA-N 1 2 340.427 0.926 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CCCC3)C2)c1 ZINC001015678607 765150658 /nfs/dbraw/zinc/15/06/58/765150658.db2.gz KRYMLLQOVWGIDT-KRWDZBQOSA-N 1 2 340.427 0.926 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1CNC(=O)CSCC#N ZINC001052812703 765166384 /nfs/dbraw/zinc/16/63/84/765166384.db2.gz ASZMTMPFAGTLFY-CHWSQXEVSA-N 1 2 349.460 0.810 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1CNC(=O)CSCC#N ZINC001052812703 765166387 /nfs/dbraw/zinc/16/63/87/765166387.db2.gz ASZMTMPFAGTLFY-CHWSQXEVSA-N 1 2 349.460 0.810 20 30 ECEDLO C[C@@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)CCNC1=O ZINC001015695294 765177246 /nfs/dbraw/zinc/17/72/46/765177246.db2.gz IHMTUJPGBCTXNR-MAUKXSAKSA-N 1 2 326.400 0.775 20 30 ECEDLO C[C@@]1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CCNC1=O ZINC001015695294 765177250 /nfs/dbraw/zinc/17/72/50/765177250.db2.gz IHMTUJPGBCTXNR-MAUKXSAKSA-N 1 2 326.400 0.775 20 30 ECEDLO C[C@@]1(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)CCNC1=O ZINC001015695974 765179199 /nfs/dbraw/zinc/17/91/99/765179199.db2.gz SFNNBESAMZWPHH-RDTXWAMCSA-N 1 2 344.390 0.914 20 30 ECEDLO C[C@@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)CCNC1=O ZINC001015695974 765179202 /nfs/dbraw/zinc/17/92/02/765179202.db2.gz SFNNBESAMZWPHH-RDTXWAMCSA-N 1 2 344.390 0.914 20 30 ECEDLO C=CCCOCC(=O)N1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001052833140 765199664 /nfs/dbraw/zinc/19/96/64/765199664.db2.gz ISDMQBGQFIIUOR-HUUCEWRRSA-N 1 2 348.447 0.766 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NC1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000992041022 765251276 /nfs/dbraw/zinc/25/12/76/765251276.db2.gz AENOTPORYHODLR-UHFFFAOYSA-N 1 2 340.387 0.487 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CS(C)(=O)=O)C1 ZINC001053066684 765540834 /nfs/dbraw/zinc/54/08/34/765540834.db2.gz CAPKYGZPZNHJGE-GJZGRUSLSA-N 1 2 326.462 0.757 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CS(C)(=O)=O)C1 ZINC001053066684 765540841 /nfs/dbraw/zinc/54/08/41/765540841.db2.gz CAPKYGZPZNHJGE-GJZGRUSLSA-N 1 2 326.462 0.757 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(C)cc3=O)C2)C1=O ZINC001015937275 765579470 /nfs/dbraw/zinc/57/94/70/765579470.db2.gz AHSIDYGIVGNOCN-UKRRQHHQSA-N 1 2 344.415 0.274 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C)cc3=O)C2)C1=O ZINC001015937275 765579479 /nfs/dbraw/zinc/57/94/79/765579479.db2.gz AHSIDYGIVGNOCN-UKRRQHHQSA-N 1 2 344.415 0.274 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)C[C@H]2O)cc1 ZINC001077496241 765655347 /nfs/dbraw/zinc/65/53/47/765655347.db2.gz MULGULGLRVFMSM-CSMYWGQOSA-N 1 2 341.411 0.110 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC3CC3)C[C@H]2O)cc1 ZINC001077496241 765655352 /nfs/dbraw/zinc/65/53/52/765655352.db2.gz MULGULGLRVFMSM-CSMYWGQOSA-N 1 2 341.411 0.110 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1OCC(N)=O ZINC001017721437 768323197 /nfs/dbraw/zinc/32/31/97/768323197.db2.gz OQSSPODMPAIPLL-OKILXGFUSA-N 1 2 327.384 0.473 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1OCC(N)=O ZINC001017721437 768323201 /nfs/dbraw/zinc/32/32/01/768323201.db2.gz OQSSPODMPAIPLL-OKILXGFUSA-N 1 2 327.384 0.473 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccn3nnnc3c1)CCO2 ZINC001053370349 766046900 /nfs/dbraw/zinc/04/69/00/766046900.db2.gz DNTWDILIQBUTEE-UHFFFAOYSA-N 1 2 328.376 0.227 20 30 ECEDLO C#CCN1CC2(C1)CN(C(=O)[C@H]1COCC[N@@H+]1C1CCCC1)CCO2 ZINC001053390991 766069343 /nfs/dbraw/zinc/06/93/43/766069343.db2.gz DLDFDHMZYMMTBT-QGZVFWFLSA-N 1 2 347.459 0.176 20 30 ECEDLO C#CCN1CC2(C1)CN(C(=O)[C@H]1COCC[N@H+]1C1CCCC1)CCO2 ZINC001053390991 766069353 /nfs/dbraw/zinc/06/93/53/766069353.db2.gz DLDFDHMZYMMTBT-QGZVFWFLSA-N 1 2 347.459 0.176 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCc3nnn(C)c3C1)CCO2 ZINC001053394859 766077327 /nfs/dbraw/zinc/07/73/27/766077327.db2.gz QRAQJWAWMULEFW-AWEZNQCLSA-N 1 2 345.447 0.409 20 30 ECEDLO C[C@H](CCNc1ccnc(C#N)n1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001106483220 768357243 /nfs/dbraw/zinc/35/72/43/768357243.db2.gz XYVHEOXRBVPMIN-OLZOCXBDSA-N 1 2 339.403 0.536 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 ZINC001053480716 766208517 /nfs/dbraw/zinc/20/85/17/766208517.db2.gz FZKMVHGHCQCGFV-UHFFFAOYSA-N 1 2 327.388 0.832 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cn([C@@H]3CCOC3)nn1)CCO2 ZINC001053499701 766239264 /nfs/dbraw/zinc/23/92/64/766239264.db2.gz CGSHAXUATLNRJY-CQSZACIVSA-N 1 2 347.419 0.342 20 30 ECEDLO N#CCN1CC2(C1)CN(C(=O)c1ccc(-n3cc[nH+]c3)cn1)CCO2 ZINC001053506495 766254702 /nfs/dbraw/zinc/25/47/02/766254702.db2.gz HZWBJLLCZZCOIN-UHFFFAOYSA-N 1 2 338.371 0.318 20 30 ECEDLO C#CCN1CC2(C1)CN(C(=O)c1ccc(-n3cc[nH+]c3)cn1)CCO2 ZINC001053506765 766254879 /nfs/dbraw/zinc/25/48/79/766254879.db2.gz PGDHMNUIBUKSCE-UHFFFAOYSA-N 1 2 337.383 0.427 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccnc3nc(C)nn31)CCO2 ZINC001053506810 766255789 /nfs/dbraw/zinc/25/57/89/766255789.db2.gz QYMGWOMLEZXDEL-UHFFFAOYSA-N 1 2 342.403 0.536 20 30 ECEDLO C[C@H](CCNc1ccnc(C#N)n1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001106486144 768366448 /nfs/dbraw/zinc/36/64/48/768366448.db2.gz YFYOLLLCZPKOBK-OLZOCXBDSA-N 1 2 339.403 0.536 20 30 ECEDLO C[C@@H](CCNc1ccnc(C#N)n1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001106485670 768366482 /nfs/dbraw/zinc/36/64/82/768366482.db2.gz RNXAVWZZJADABP-STQMWFEESA-N 1 2 339.403 0.536 20 30 ECEDLO C#CCCN1CC2(C1)CN(C(=O)[C@H](c1cccnc1)[NH+](C)C)CCO2 ZINC001053542676 766308444 /nfs/dbraw/zinc/30/84/44/766308444.db2.gz MIGXEQCVIKHUOL-KRWDZBQOSA-N 1 2 342.443 0.621 20 30 ECEDLO C[C@@H](CCNc1ccnc(C#N)n1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001106484422 768364845 /nfs/dbraw/zinc/36/48/45/768364845.db2.gz DCKWGBGQXHVDJC-STQMWFEESA-N 1 2 339.403 0.536 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnn(C)n1 ZINC001045849960 766432441 /nfs/dbraw/zinc/43/24/41/766432441.db2.gz JVHXOFGQFYWXJE-TWMKSMIVSA-N 1 2 345.447 0.972 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnn(C)n1 ZINC001045849960 766432448 /nfs/dbraw/zinc/43/24/48/766432448.db2.gz JVHXOFGQFYWXJE-TWMKSMIVSA-N 1 2 345.447 0.972 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCN(C)C(=O)C1)O2 ZINC001053618997 766447883 /nfs/dbraw/zinc/44/78/83/766447883.db2.gz ICHZAOLJCUKSNH-LSDHHAIUSA-N 1 2 335.448 0.781 20 30 ECEDLO C#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCc3c[nH+]cn3C1)O2 ZINC001053619817 766450430 /nfs/dbraw/zinc/45/04/30/766450430.db2.gz XDXFNOGOUZOUSC-HOCLYGCPSA-N 1 2 328.416 0.428 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCc2sc(C[NH2+][C@H]3CCNC3=O)nc2C1 ZINC001089273930 766470594 /nfs/dbraw/zinc/47/05/94/766470594.db2.gz KNRMRGWZXPYXMW-ZJUUUORDSA-N 1 2 333.417 0.166 20 30 ECEDLO Cn1nnnc1C[NH+]1CCC2(C[C@H]2NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001016564900 766508816 /nfs/dbraw/zinc/50/88/16/766508816.db2.gz LZTNECGMKWGCHW-CYBMUJFWSA-N 1 2 340.391 0.194 20 30 ECEDLO CO[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212254970 766543129 /nfs/dbraw/zinc/54/31/29/766543129.db2.gz ABMBAVUQVHLLML-HUUCEWRRSA-N 1 2 335.448 0.378 20 30 ECEDLO CO[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC001212254970 766543131 /nfs/dbraw/zinc/54/31/31/766543131.db2.gz ABMBAVUQVHLLML-HUUCEWRRSA-N 1 2 335.448 0.378 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C1CCS(=O)(=O)CC1)O2 ZINC001053670112 766548656 /nfs/dbraw/zinc/54/86/56/766548656.db2.gz KQKQFRGIMXGMCY-CQSZACIVSA-N 1 2 342.461 0.347 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1c(C)nn(C)c1OC)O2 ZINC001053671259 766551309 /nfs/dbraw/zinc/55/13/09/766551309.db2.gz FILHSZLCOUYPKX-CYBMUJFWSA-N 1 2 334.420 0.886 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2CCC3(C[NH+](CCOC)C3)O2)nc1 ZINC001053690594 766596704 /nfs/dbraw/zinc/59/67/04/766596704.db2.gz LJDGTQCARXLDGV-OAHLLOKOSA-N 1 2 329.400 0.673 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001060420458 766599423 /nfs/dbraw/zinc/59/94/23/766599423.db2.gz QFKBMDKXTBMZLF-IMJJTQAJSA-N 1 2 346.431 0.898 20 30 ECEDLO C[C@@H](CC(=O)NC[C@@H](O)CNc1ncccc1C#N)n1cc[nH+]c1 ZINC001106132007 766601451 /nfs/dbraw/zinc/60/14/51/766601451.db2.gz PMUVHHXLLAOJMX-GXTWGEPZSA-N 1 2 328.376 0.690 20 30 ECEDLO CCc1nnc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)o1 ZINC001046011549 766635761 /nfs/dbraw/zinc/63/57/61/766635761.db2.gz DTWXGZKQQSBHRD-KGLIPLIRSA-N 1 2 346.435 0.510 20 30 ECEDLO CCc1nnc(C[N@H+]2CC[C@H](N3CCN(C(=O)[C@H](C)C#N)CC3)C2)o1 ZINC001046011549 766635762 /nfs/dbraw/zinc/63/57/62/766635762.db2.gz DTWXGZKQQSBHRD-KGLIPLIRSA-N 1 2 346.435 0.510 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@H]2CCN(Cc3cnsn3)C2)CC1 ZINC001046012263 766638008 /nfs/dbraw/zinc/63/80/08/766638008.db2.gz MPTCRLQAYOBNHT-OCCSQVGLSA-N 1 2 334.449 0.416 20 30 ECEDLO CCn1ncnc1CN1CC[C@H]([NH+]2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001046011919 766638581 /nfs/dbraw/zinc/63/85/81/766638581.db2.gz IRBUKYARUUJLOB-CABCVRRESA-N 1 2 345.451 0.176 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCN([C@H]2CC[N@H+](Cc3cnns3)C2)CC1 ZINC001046013186 766641481 /nfs/dbraw/zinc/64/14/81/766641481.db2.gz UNCYKHMKOJBWNN-STQMWFEESA-N 1 2 334.449 0.416 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3cnns3)C2)CC1 ZINC001046013186 766641484 /nfs/dbraw/zinc/64/14/84/766641484.db2.gz UNCYKHMKOJBWNN-STQMWFEESA-N 1 2 334.449 0.416 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CC(N(C)C(=O)Cn3cc[nH+]c3)C2)nc1 ZINC001016686763 766729447 /nfs/dbraw/zinc/72/94/47/766729447.db2.gz VVIOIHMGUHGRFO-UHFFFAOYSA-N 1 2 337.383 0.679 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(C3CC3)no2)C[C@H]1OC ZINC001212264292 766739289 /nfs/dbraw/zinc/73/92/89/766739289.db2.gz FXGMRYMTONRRGD-JCURWCKSSA-N 1 2 347.415 0.906 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(C3CC3)no2)C[C@H]1OC ZINC001212264292 766739295 /nfs/dbraw/zinc/73/92/95/766739295.db2.gz FXGMRYMTONRRGD-JCURWCKSSA-N 1 2 347.415 0.906 20 30 ECEDLO COc1cc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)ccn1 ZINC001046042952 766759761 /nfs/dbraw/zinc/75/97/61/766759761.db2.gz QAQWKYRHWKGRAP-OAHLLOKOSA-N 1 2 329.404 0.446 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cccc4nccn43)CC2)C1 ZINC001046043824 766763345 /nfs/dbraw/zinc/76/33/45/766763345.db2.gz FBZBNHKPKIZONK-OAHLLOKOSA-N 1 2 338.415 0.690 20 30 ECEDLO Cn1cc(C[N@@H+]2CC[C@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)nn1 ZINC001042001462 782583322 /nfs/dbraw/zinc/58/33/22/782583322.db2.gz YQVIAPSFAYQVPP-BBRMVZONSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1cc(C[N@H+]2CC[C@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)nn1 ZINC001042001462 782583329 /nfs/dbraw/zinc/58/33/29/782583329.db2.gz YQVIAPSFAYQVPP-BBRMVZONSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1c[nH+]cc1CN1CC2(C1)C[C@@H](NC(=O)c1cc(C#N)c[nH]1)CO2 ZINC001053769773 766795955 /nfs/dbraw/zinc/79/59/55/766795955.db2.gz HXZCDRARQPJDQF-CYBMUJFWSA-N 1 2 340.387 0.393 20 30 ECEDLO CCOC1CC(CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)C1 ZINC001046056280 766809177 /nfs/dbraw/zinc/80/91/77/766809177.db2.gz PUJYCENFEQXEFC-AQFXKWCLSA-N 1 2 334.464 0.934 20 30 ECEDLO CCOc1cc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)ccn1 ZINC001046061305 766829185 /nfs/dbraw/zinc/82/91/85/766829185.db2.gz LNUYYNFBDOAVGA-MRXNPFEDSA-N 1 2 343.431 0.836 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3CCCc4nc[nH]c43)CC2)C1 ZINC001046061324 766829231 /nfs/dbraw/zinc/82/92/31/766829231.db2.gz LVIIOPJTRAFOFW-HUUCEWRRSA-N 1 2 342.447 0.572 20 30 ECEDLO Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046063793 766839757 /nfs/dbraw/zinc/83/97/57/766839757.db2.gz XUBLOZWIUQXRGJ-ARFHVFGLSA-N 1 2 342.447 0.266 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)CCc3cncs3)CC2)C1 ZINC001046064771 766846039 /nfs/dbraw/zinc/84/60/39/766846039.db2.gz UEHREZKXRGOJOU-AWEZNQCLSA-N 1 2 333.461 0.818 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3ccnc(C4CC4)n3)CC2)C1 ZINC001046069427 766868105 /nfs/dbraw/zinc/86/81/05/766868105.db2.gz FXZKMIDJVGULMS-HNNXBMFYSA-N 1 2 340.431 0.710 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCc3n[nH]cc31)CO2 ZINC001053802875 766889088 /nfs/dbraw/zinc/88/90/88/766889088.db2.gz GAMXDGNRWFKTCS-UONOGXRCSA-N 1 2 328.416 0.812 20 30 ECEDLO Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)c(C)n1C ZINC001046081512 766919133 /nfs/dbraw/zinc/91/91/33/766919133.db2.gz GRDBIUDRSQQEOO-MRXNPFEDSA-N 1 2 329.448 0.998 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cncnc3C3CC3)CC2)C1 ZINC001046081836 766920232 /nfs/dbraw/zinc/92/02/32/766920232.db2.gz PKMISFDQLNVVHX-OAHLLOKOSA-N 1 2 340.431 0.710 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC(=O)N(C(C)C)C1)CO2 ZINC001053818546 766925730 /nfs/dbraw/zinc/92/57/30/766925730.db2.gz MZGRDZKFOUKDCN-LSDHHAIUSA-N 1 2 333.432 0.226 20 30 ECEDLO CN(C)c1ccnc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)c1 ZINC001046085458 766927584 /nfs/dbraw/zinc/92/75/84/766927584.db2.gz PIFSNVYDGILCQD-INIZCTEOSA-N 1 2 342.447 0.503 20 30 ECEDLO CC[C@H](C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1)N1CCCC1=O ZINC001046087104 766929448 /nfs/dbraw/zinc/92/94/48/766929448.db2.gz UDSIOKNWVQROAV-JKSUJKDBSA-N 1 2 347.463 0.129 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)OCCc3ccccc32)C1 ZINC001078270236 782595490 /nfs/dbraw/zinc/59/54/90/782595490.db2.gz GEOXVNTXDGOSDP-ZHALLVOQSA-N 1 2 328.412 0.659 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)OCCc3ccccc32)C1 ZINC001078270236 782595496 /nfs/dbraw/zinc/59/54/96/782595496.db2.gz GEOXVNTXDGOSDP-ZHALLVOQSA-N 1 2 328.412 0.659 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ncccc1NC(C)=O)CO2 ZINC001053825569 766949341 /nfs/dbraw/zinc/94/93/41/766949341.db2.gz UOPMDXXFOCYNQI-AWEZNQCLSA-N 1 2 342.399 0.636 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2COCCO2)C1 ZINC001046152569 766982404 /nfs/dbraw/zinc/98/24/04/766982404.db2.gz LFLXQBYGVJHCIX-WCQYABFASA-N 1 2 333.226 0.891 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2COCCO2)C1 ZINC001046152569 766982401 /nfs/dbraw/zinc/98/24/01/766982401.db2.gz LFLXQBYGVJHCIX-WCQYABFASA-N 1 2 333.226 0.891 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCn3cc(C)nc3C1)CO2 ZINC001053848321 767009599 /nfs/dbraw/zinc/00/95/99/767009599.db2.gz XTMRJDDFKMDNIP-JKSUJKDBSA-N 1 2 342.443 0.737 20 30 ECEDLO C=CCOc1ccc(C(=O)N[C@@H]2COC3(C[NH+](CCO)C3)C2)cc1 ZINC001053851681 767020595 /nfs/dbraw/zinc/02/05/95/767020595.db2.gz XYLHADAIFKWSCI-HNNXBMFYSA-N 1 2 332.400 0.817 20 30 ECEDLO C#CCOCCC(=O)NC[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001060756446 767055754 /nfs/dbraw/zinc/05/57/54/767055754.db2.gz PTJABNZQADYCLU-WKILWMFISA-N 1 2 346.431 0.714 20 30 ECEDLO C=C(Br)CN1CC[C@@](C)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046217972 767082914 /nfs/dbraw/zinc/08/29/14/767082914.db2.gz IQUSQQYEGDBNPC-TZMCWYRMSA-N 1 2 346.269 0.806 20 30 ECEDLO C=C(Br)CN1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046217972 767082919 /nfs/dbraw/zinc/08/29/19/767082919.db2.gz IQUSQQYEGDBNPC-TZMCWYRMSA-N 1 2 346.269 0.806 20 30 ECEDLO Cn1cnnc1C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]21 ZINC001042018159 782607636 /nfs/dbraw/zinc/60/76/36/782607636.db2.gz HEJOFMJZANZCII-DOMZBBRYSA-N 1 2 339.403 0.751 20 30 ECEDLO Cn1cnnc1C[N@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]21 ZINC001042018159 782607638 /nfs/dbraw/zinc/60/76/38/782607638.db2.gz HEJOFMJZANZCII-DOMZBBRYSA-N 1 2 339.403 0.751 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3nc(C)nn3C1)CO2 ZINC001053878812 767127094 /nfs/dbraw/zinc/12/70/94/767127094.db2.gz KDXJBDYEJYVMKM-HUUCEWRRSA-N 1 2 345.447 0.685 20 30 ECEDLO N#Cc1ccnc(N2CCN(C(=O)c3n[nH]c4c3C[NH2+]CC4)CC2)c1 ZINC000446146223 767128979 /nfs/dbraw/zinc/12/89/79/767128979.db2.gz OWHXUXWPRYBFIO-UHFFFAOYSA-N 1 2 337.387 0.284 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1nc(COC)no1 ZINC001127605414 767144652 /nfs/dbraw/zinc/14/46/52/767144652.db2.gz ZGMZIPXPJKFSTE-XQQFMLRXSA-N 1 2 338.408 0.964 20 30 ECEDLO C[C@@H]1CN(C)C[C@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)O1 ZINC001031765674 767170464 /nfs/dbraw/zinc/17/04/64/767170464.db2.gz LDSYCPDBYMLSJO-RDTXWAMCSA-N 1 2 342.443 0.825 20 30 ECEDLO C=CCOc1ccccc1C(=O)NCC1C[NH+]([C@@H]2CCNC2=O)C1 ZINC001031778555 767192300 /nfs/dbraw/zinc/19/23/00/767192300.db2.gz OLNAAQBPNDQQHR-OAHLLOKOSA-N 1 2 329.400 0.802 20 30 ECEDLO C=CCOc1ccc(C(=O)NCC2C[NH+]([C@H]3CCNC3=O)C2)cc1 ZINC001031778612 767192446 /nfs/dbraw/zinc/19/24/46/767192446.db2.gz RCVIDBSPLLQLSW-INIZCTEOSA-N 1 2 329.400 0.802 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001046426622 767212900 /nfs/dbraw/zinc/21/29/00/767212900.db2.gz QSRABRHWAJJTIR-ZDUSSCGKSA-N 1 2 347.824 0.874 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC001046426622 767212903 /nfs/dbraw/zinc/21/29/03/767212903.db2.gz QSRABRHWAJJTIR-ZDUSSCGKSA-N 1 2 347.824 0.874 20 30 ECEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@@H]3CCC(=O)NC3)C2)c1 ZINC001031805079 767240653 /nfs/dbraw/zinc/24/06/53/767240653.db2.gz TVHQWUQIBUUOKH-CQSZACIVSA-N 1 2 344.390 0.772 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCNC2=O)C1 ZINC001046537382 767287871 /nfs/dbraw/zinc/28/78/71/767287871.db2.gz NYBASWPZRIKBCC-GXFFZTMASA-N 1 2 330.226 0.612 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCNC2=O)C1 ZINC001046537382 767287872 /nfs/dbraw/zinc/28/78/72/767287872.db2.gz NYBASWPZRIKBCC-GXFFZTMASA-N 1 2 330.226 0.612 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCc3nn[nH]c31)CO2 ZINC001053907798 767326150 /nfs/dbraw/zinc/32/61/50/767326150.db2.gz DNGIFICLCHIBKQ-CHWSQXEVSA-N 1 2 331.420 0.760 20 30 ECEDLO C=CCn1cc(C(=O)N[C@]2(C)CC[N@@H+](Cc3cnnn3CC)C2)nn1 ZINC001046681657 767471606 /nfs/dbraw/zinc/47/16/06/767471606.db2.gz RBQNFUINUNZMEH-MRXNPFEDSA-N 1 2 344.423 0.470 20 30 ECEDLO C=CCn1cc(C(=O)N[C@]2(C)CC[N@H+](Cc3cnnn3CC)C2)nn1 ZINC001046681657 767471609 /nfs/dbraw/zinc/47/16/09/767471609.db2.gz RBQNFUINUNZMEH-MRXNPFEDSA-N 1 2 344.423 0.470 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCN(C(=O)CC)C1)CO2 ZINC001053976570 767507832 /nfs/dbraw/zinc/50/78/32/767507832.db2.gz VZDWXJGHTKACGG-LSDHHAIUSA-N 1 2 333.432 0.228 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1COC2(C[NH+](CCO)C2)C1 ZINC001053977283 767511904 /nfs/dbraw/zinc/51/19/04/767511904.db2.gz RJPJRVAYVSEQTL-CYBMUJFWSA-N 1 2 333.388 0.212 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccn3c(=O)[nH]nc13)CO2 ZINC001053980639 767520626 /nfs/dbraw/zinc/52/06/26/767520626.db2.gz ANLTURRWHQIBHA-GFCCVEGCSA-N 1 2 341.371 0.031 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccnc1OCC#C)CO2 ZINC001053985789 767535739 /nfs/dbraw/zinc/53/57/39/767535739.db2.gz ZKTXDGBAPFOXBO-OAHLLOKOSA-N 1 2 339.395 0.690 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnn(CCOC)c1)CO2 ZINC001053996377 767554583 /nfs/dbraw/zinc/55/45/83/767554583.db2.gz MJVNSSAKSJFTJS-OAHLLOKOSA-N 1 2 334.420 0.679 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1nc3nccc(C)n3n1)CO2 ZINC001053997236 767557124 /nfs/dbraw/zinc/55/71/24/767557124.db2.gz YHKINPSBUXSYPX-CYBMUJFWSA-N 1 2 342.403 0.582 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C1CC1)N1CCOCC1)CO2 ZINC001054013703 767598803 /nfs/dbraw/zinc/59/88/03/767598803.db2.gz ZHHFJPCYYGRJHY-DLBZAZTESA-N 1 2 349.475 0.633 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C(C)(C)C3CC3)[C@@H](O)C2)C1=O ZINC001083714324 767663940 /nfs/dbraw/zinc/66/39/40/767663940.db2.gz LILDMEJGMVSYES-KFWWJZLASA-N 1 2 335.448 0.371 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C(C)(C)C3CC3)[C@@H](O)C2)C1=O ZINC001083714324 767663941 /nfs/dbraw/zinc/66/39/41/767663941.db2.gz LILDMEJGMVSYES-KFWWJZLASA-N 1 2 335.448 0.371 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=COCCO2)C1=O ZINC001017326535 767847345 /nfs/dbraw/zinc/84/73/45/767847345.db2.gz DVLZEKIUQKNSIB-QLFBSQMISA-N 1 2 347.415 0.337 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=COCCO2)C1=O ZINC001017326535 767847351 /nfs/dbraw/zinc/84/73/51/767847351.db2.gz DVLZEKIUQKNSIB-QLFBSQMISA-N 1 2 347.415 0.337 20 30 ECEDLO N#Cc1ccc(N[C@@H]2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]23)nn1 ZINC001060541231 768655872 /nfs/dbraw/zinc/65/58/72/768655872.db2.gz LJXZCQSXBOMQDG-KWCYVHTRSA-N 1 2 337.387 0.963 20 30 ECEDLO C=CCOCC(=O)N1C[C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C1 ZINC001055248621 768706296 /nfs/dbraw/zinc/70/62/96/768706296.db2.gz VSCRMZOGSRBDJU-GASCZTMLSA-N 1 2 346.431 0.472 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001018123441 768763126 /nfs/dbraw/zinc/76/31/26/768763126.db2.gz WJBVFBAGKXEHGP-HRCADAONSA-N 1 2 343.431 0.627 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001018123441 768763130 /nfs/dbraw/zinc/76/31/30/768763130.db2.gz WJBVFBAGKXEHGP-HRCADAONSA-N 1 2 343.431 0.627 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NC1CN(CC#Cc2ccc(F)cc2)C1 ZINC001031260200 768981169 /nfs/dbraw/zinc/98/11/69/768981169.db2.gz NFVGUHFGYUVBKS-UHFFFAOYSA-N 1 2 326.375 0.954 20 30 ECEDLO C#CCCCCC(=O)NCC[NH+]1CCC(NC(=O)c2nc[nH]n2)CC1 ZINC001055564182 769124971 /nfs/dbraw/zinc/12/49/71/769124971.db2.gz YJPMJDPCTWRCAY-UHFFFAOYSA-N 1 2 346.435 0.309 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(-n2cncn2)c1 ZINC001018338359 769130708 /nfs/dbraw/zinc/13/07/08/769130708.db2.gz UFVRKDQWCGBAAH-IYBDPMFKSA-N 1 2 336.399 0.974 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(-n2cncn2)c1 ZINC001018338359 769130710 /nfs/dbraw/zinc/13/07/10/769130710.db2.gz UFVRKDQWCGBAAH-IYBDPMFKSA-N 1 2 336.399 0.974 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@@]3(C)CCOC3)C2)CC1 ZINC001018376346 769245906 /nfs/dbraw/zinc/24/59/06/769245906.db2.gz SYHBGSWNEKHAOY-APWZRJJASA-N 1 2 349.475 0.982 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@]3(C)CCOC3)C2)CC1 ZINC001018376353 769246041 /nfs/dbraw/zinc/24/60/41/769246041.db2.gz SYHBGSWNEKHAOY-VQIMIIECSA-N 1 2 349.475 0.982 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC[NH+]1CCC(NC(=O)c2ncn[nH]2)CC1 ZINC001055619263 769270069 /nfs/dbraw/zinc/27/00/69/769270069.db2.gz WMXOZMDJYROWFI-QWHCGFSZSA-N 1 2 348.451 0.573 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC[NH+]1CCC(NC(=O)c2nc[nH]n2)CC1 ZINC001055619263 769270079 /nfs/dbraw/zinc/27/00/79/769270079.db2.gz WMXOZMDJYROWFI-QWHCGFSZSA-N 1 2 348.451 0.573 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H]1C ZINC000993574644 769278132 /nfs/dbraw/zinc/27/81/32/769278132.db2.gz VKNHMCANBJFRDB-NWDGAFQWSA-N 1 2 340.811 0.671 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H]1C ZINC000993574644 769278137 /nfs/dbraw/zinc/27/81/37/769278137.db2.gz VKNHMCANBJFRDB-NWDGAFQWSA-N 1 2 340.811 0.671 20 30 ECEDLO C=C1CC(C)(C(=O)NCC[NH+]2CCC(NC(=O)c3cnn[nH]3)CC2)C1 ZINC001055639840 769325148 /nfs/dbraw/zinc/32/51/48/769325148.db2.gz WLVKPYIWTVZTLF-UHFFFAOYSA-N 1 2 346.435 0.471 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC000993629607 769442285 /nfs/dbraw/zinc/44/22/85/769442285.db2.gz COFTZPHXOFQPQF-NQBHXWOUSA-N 1 2 341.375 0.027 20 30 ECEDLO CCCc1noc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C#N)CCCO2)n1 ZINC001078357919 782766414 /nfs/dbraw/zinc/76/64/14/782766414.db2.gz DZXQHLHUOGKPTH-CHWSQXEVSA-N 1 2 335.408 0.889 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2nn(C)cc2Cl)C1 ZINC001078358726 782769403 /nfs/dbraw/zinc/76/94/03/782769403.db2.gz VLPWAXWPNBCDKA-NWDGAFQWSA-N 1 2 339.827 0.940 20 30 ECEDLO COCc1noc(C[NH2+][C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001018682727 769756953 /nfs/dbraw/zinc/75/69/53/769756953.db2.gz RVXUINRIMNFDSW-NSHDSACASA-N 1 2 330.348 0.420 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CCN(c2cncc(C#N)n2)CC1 ZINC001055875865 770060410 /nfs/dbraw/zinc/06/04/10/770060410.db2.gz QXPABPXMKGYPOG-UHFFFAOYSA-N 1 2 325.376 0.363 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CCN(c2cnc(C#N)cn2)CC1 ZINC001055876090 770060947 /nfs/dbraw/zinc/06/09/47/770060947.db2.gz YNEPFKREIASMAC-UHFFFAOYSA-N 1 2 325.376 0.363 20 30 ECEDLO O=C(C#CC1CC1)N[C@@]1(CO)CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001055938728 770291788 /nfs/dbraw/zinc/29/17/88/770291788.db2.gz LDVFZBHAMCZYDI-SFHVURJKSA-N 1 2 344.415 0.225 20 30 ECEDLO N#Cc1ccc(N2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CC2)nn1 ZINC001056011933 770546755 /nfs/dbraw/zinc/54/67/55/770546755.db2.gz ULSRDOZFSXRBRH-ZDUSSCGKSA-N 1 2 337.387 0.840 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H]1C ZINC000994364444 770665150 /nfs/dbraw/zinc/66/51/50/770665150.db2.gz OBDOMHDWXJWQBI-WDEREUQCSA-N 1 2 328.800 0.260 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H]1C ZINC000994364444 770665153 /nfs/dbraw/zinc/66/51/53/770665153.db2.gz OBDOMHDWXJWQBI-WDEREUQCSA-N 1 2 328.800 0.260 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(C#N)c1 ZINC001056152490 770942891 /nfs/dbraw/zinc/94/28/91/770942891.db2.gz JGYZMFHNPYVUFR-WDNDVIMCSA-N 1 2 348.370 0.428 20 30 ECEDLO Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2c[nH+]cn2C)c1C#N ZINC001056255119 771047697 /nfs/dbraw/zinc/04/76/97/771047697.db2.gz UOYGEVXAQWGMQD-NHAGDIPZSA-N 1 2 342.428 0.850 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CCn3c[nH+]cc3C1)C2 ZINC001019366257 771210601 /nfs/dbraw/zinc/21/06/01/771210601.db2.gz BCKZFPSDLPHBDW-ZIAGYGMSSA-N 1 2 341.415 0.666 20 30 ECEDLO N#Cc1cncc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)n1 ZINC001056399337 771223066 /nfs/dbraw/zinc/22/30/66/771223066.db2.gz NQNZTSCPRMMHAQ-FOCJUVANSA-N 1 2 349.398 0.742 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC001019406007 771259751 /nfs/dbraw/zinc/25/97/51/771259751.db2.gz YWOKNXIVSQYIHX-XQQFMLRXSA-N 1 2 335.408 0.417 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001056456994 771288837 /nfs/dbraw/zinc/28/88/37/771288837.db2.gz WZSCSVUNHLLVAU-GJZGRUSLSA-N 1 2 332.404 0.678 20 30 ECEDLO COC(=O)[C@@H]1C[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031579217 771328847 /nfs/dbraw/zinc/32/88/47/771328847.db2.gz PAFOTVBMMLJWOI-HZPDHXFCSA-N 1 2 327.384 0.915 20 30 ECEDLO N#Cc1cc(C(=O)NCC2C[NH+](CC(=O)N3CCCCCC3)C2)c[nH]1 ZINC001031621414 771474828 /nfs/dbraw/zinc/47/48/28/771474828.db2.gz ALNYCDKJHKIZCT-UHFFFAOYSA-N 1 2 343.431 0.951 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1CCC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001056681664 771509075 /nfs/dbraw/zinc/50/90/75/771509075.db2.gz PVFIWHDLURZPKI-IJEWVQPXSA-N 1 2 346.431 0.993 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC001056682426 771509675 /nfs/dbraw/zinc/50/96/75/771509675.db2.gz YQVYPKLJOVRWSJ-GFCCVEGCSA-N 1 2 325.376 0.149 20 30 ECEDLO C#CCOCCC(=O)N1C[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001056725405 771560718 /nfs/dbraw/zinc/56/07/18/771560718.db2.gz PLHHIAIXMZAGGH-GOEBONIOSA-N 1 2 344.415 0.442 20 30 ECEDLO N#Cc1cnc(N[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)cn1 ZINC001056726306 771560995 /nfs/dbraw/zinc/56/09/95/771560995.db2.gz YVWGZNCVCITBOX-CHWSQXEVSA-N 1 2 337.387 0.820 20 30 ECEDLO Cn1nncc1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031644235 771578594 /nfs/dbraw/zinc/57/85/94/771578594.db2.gz PRTSHIPYNIOSJS-UHFFFAOYSA-N 1 2 328.351 0.688 20 30 ECEDLO N#Cc1nccc(N[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)n1 ZINC001056815687 771680396 /nfs/dbraw/zinc/68/03/96/771680396.db2.gz XFBCXTPPSUJOHF-GFCCVEGCSA-N 1 2 333.355 0.973 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](N(C)c2ccc(C#N)nn2)C1 ZINC001056949203 771852617 /nfs/dbraw/zinc/85/26/17/771852617.db2.gz CQFFHLDQWNLLGM-ZDUSSCGKSA-N 1 2 325.376 0.660 20 30 ECEDLO CN(c1cncc(C#N)n1)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001056997399 771923749 /nfs/dbraw/zinc/92/37/49/771923749.db2.gz BDCUIVZGTMVWRJ-AWEZNQCLSA-N 1 2 325.376 0.672 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CCCN(c2ccc(C#N)nn2)CC1 ZINC001057165439 772202686 /nfs/dbraw/zinc/20/26/86/772202686.db2.gz WBHKACFZGBUHPI-UHFFFAOYSA-N 1 2 339.403 0.753 20 30 ECEDLO C=CCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001057172968 772213778 /nfs/dbraw/zinc/21/37/78/772213778.db2.gz ZTIRLHGYJPRSIW-ZIAGYGMSSA-N 1 2 334.420 0.427 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@H]2C)C1 ZINC001020146100 772215491 /nfs/dbraw/zinc/21/54/91/772215491.db2.gz RRYGMHGJIZHWIP-SOUVJXGZSA-N 1 2 335.448 0.779 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@H]2C)C1 ZINC001020146100 772215493 /nfs/dbraw/zinc/21/54/93/772215493.db2.gz RRYGMHGJIZHWIP-SOUVJXGZSA-N 1 2 335.448 0.779 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CCN1C(=O)C#CC1CC1 ZINC001020250671 772350890 /nfs/dbraw/zinc/35/08/90/772350890.db2.gz XRGZQIZTAZOFFM-QRTARXTBSA-N 1 2 340.427 0.965 20 30 ECEDLO C=C1CC(C)(C(=O)NCCN(CCO)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001057460237 772646520 /nfs/dbraw/zinc/64/65/20/772646520.db2.gz VMXKHBIEORMWKM-UHFFFAOYSA-N 1 2 334.420 0.636 20 30 ECEDLO CC(C)C#CC(=O)NCCN(CCO)C(=O)CCCn1cc[nH+]c1 ZINC001057983930 773337351 /nfs/dbraw/zinc/33/73/51/773337351.db2.gz CJZHDRSCXHEGCJ-UHFFFAOYSA-N 1 2 334.420 0.260 20 30 ECEDLO C[C@@H](Nc1ccnc(C#N)n1)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001058014126 773369776 /nfs/dbraw/zinc/36/97/76/773369776.db2.gz IUXCGFCXPNVGOU-ZIAGYGMSSA-N 1 2 339.403 0.848 20 30 ECEDLO N#Cc1nccc(N2C[C@@H]3CCN(C(=O)CCc4[nH]cc[nH+]4)[C@@H]3C2)n1 ZINC001040609097 783097194 /nfs/dbraw/zinc/09/71/94/783097194.db2.gz FGMSBGKZKKTAEB-QWHCGFSZSA-N 1 2 337.387 0.741 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)NCCN(CCO)C(=O)Cc1c[nH+]cn1C ZINC001058159559 773663392 /nfs/dbraw/zinc/66/33/92/773663392.db2.gz NVEIDZRSQPIUMO-UONOGXRCSA-N 1 2 336.436 0.358 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCN(c2cnc(C#N)cn2)C1 ZINC001058181834 773719676 /nfs/dbraw/zinc/71/96/76/773719676.db2.gz JILABBXQRLHNSW-GFCCVEGCSA-N 1 2 325.376 0.708 20 30 ECEDLO C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)CCn1cc[nH+]c1 ZINC001058200387 773757560 /nfs/dbraw/zinc/75/75/60/773757560.db2.gz DIBKKHDCRBFDPS-UHFFFAOYSA-N 1 2 336.436 0.813 20 30 ECEDLO C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CN1c1cnc(C#N)cn1 ZINC001039819979 783150410 /nfs/dbraw/zinc/15/04/10/783150410.db2.gz YZKQCZQDMZTARA-NEPJUHHUSA-N 1 2 325.376 0.788 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)n1 ZINC001058403139 774114753 /nfs/dbraw/zinc/11/47/53/774114753.db2.gz HVLPUIRYLSTPLY-LBPRGKRZSA-N 1 2 325.376 0.328 20 30 ECEDLO N#Cc1cnc(N2CC[C@H](NC(=O)[C@H]3CCc4[nH+]ccn4C3)C2)cn1 ZINC001058481735 774273728 /nfs/dbraw/zinc/27/37/28/774273728.db2.gz YRGQRBQQLHNGIB-STQMWFEESA-N 1 2 337.387 0.502 20 30 ECEDLO CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001039830719 783169325 /nfs/dbraw/zinc/16/93/25/783169325.db2.gz KWUOUHPSKHSOFU-KDOFPFPSSA-N 1 2 346.431 0.327 20 30 ECEDLO CC(C)C#CC(=O)N1CC[C@](O)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001039830719 783169329 /nfs/dbraw/zinc/16/93/29/783169329.db2.gz KWUOUHPSKHSOFU-KDOFPFPSSA-N 1 2 346.431 0.327 20 30 ECEDLO N#Cc1cncc(N2CC[C@@H](NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)n1 ZINC001058541302 774393954 /nfs/dbraw/zinc/39/39/54/774393954.db2.gz HSCWWSLBFBRIFL-DGCLKSJQSA-N 1 2 337.387 0.886 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(c2cnc(C#N)cn2)C1 ZINC001058551385 774419197 /nfs/dbraw/zinc/41/91/97/774419197.db2.gz TZJYSDMWXAWEQB-MRVWCRGKSA-N 1 2 337.387 0.580 20 30 ECEDLO C=CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001058623435 774560582 /nfs/dbraw/zinc/56/05/82/774560582.db2.gz RZNWJKGLHASACN-HNNXBMFYSA-N 1 2 348.447 0.739 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)NCC1(O)CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001044985288 774800905 /nfs/dbraw/zinc/80/09/05/774800905.db2.gz JARBAUCAWIHKBJ-KGLIPLIRSA-N 1 2 334.420 0.421 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NCC1(O)CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001045063609 774918807 /nfs/dbraw/zinc/91/88/07/774918807.db2.gz CQXNNDKNQFMUJQ-AWEZNQCLSA-N 1 2 334.420 0.565 20 30 ECEDLO C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001043851729 775099857 /nfs/dbraw/zinc/09/98/57/775099857.db2.gz LPKCYLNPAWIXFW-JKSUJKDBSA-N 1 2 333.432 0.322 20 30 ECEDLO C=CCCC(=O)N1CC(O)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001043858779 775118569 /nfs/dbraw/zinc/11/85/69/775118569.db2.gz MYDAWYOOTLAZJC-UHFFFAOYSA-N 1 2 328.372 0.604 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@H]2C[NH2+]Cc2nnc(CC)o2)nn1 ZINC001045232614 775190504 /nfs/dbraw/zinc/19/05/04/775190504.db2.gz QHIHWVBUXSBXDR-LBPRGKRZSA-N 1 2 345.407 0.804 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+]([C@H](CC)C(N)=O)C[C@@H]2n2ccnn2)C1 ZINC001070018098 790344852 /nfs/dbraw/zinc/34/48/52/790344852.db2.gz SLWAFSJGZIVOIP-MCIONIFRSA-N 1 2 346.435 0.240 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+]([C@H](CC)C(N)=O)C[C@@H]2n2ccnn2)C1 ZINC001070018098 790344866 /nfs/dbraw/zinc/34/48/66/790344866.db2.gz SLWAFSJGZIVOIP-MCIONIFRSA-N 1 2 346.435 0.240 20 30 ECEDLO C=CCCn1cc(C(=O)N(C)C2C[NH+](CCc3ccnn3C)C2)nn1 ZINC001044028723 775547734 /nfs/dbraw/zinc/54/77/34/775547734.db2.gz VYLIMCIQICILMI-UHFFFAOYSA-N 1 2 343.435 0.587 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1C[NH+](C[C@H]2CCc3ncnn32)C1 ZINC001044037608 775561176 /nfs/dbraw/zinc/56/11/76/775561176.db2.gz LHVAZYBNIADERO-KMFMINBZSA-N 1 2 345.447 0.889 20 30 ECEDLO Cc1cc(C)c(C(=O)N2CC(O)(CNC(=O)[C@@H](C)C#N)C2)c(C)[nH+]1 ZINC001045546483 775772085 /nfs/dbraw/zinc/77/20/85/775772085.db2.gz MVPNUCIORGQQTG-NSHDSACASA-N 1 2 330.388 0.470 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001044141350 775776653 /nfs/dbraw/zinc/77/66/53/775776653.db2.gz LVLPDODHHGUMHE-ZIAGYGMSSA-N 1 2 334.420 0.421 20 30 ECEDLO C#Cc1cncc(C(=O)NC2(C)CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC001045551057 775778876 /nfs/dbraw/zinc/77/88/76/775778876.db2.gz HWUCXOUVQBQVEM-UHFFFAOYSA-N 1 2 349.456 0.692 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(CCOC)nn2)C1 ZINC001079686010 776683070 /nfs/dbraw/zinc/68/30/70/776683070.db2.gz LSQZXNSPLPGDMZ-ZYHUDNBSSA-N 1 2 327.816 0.727 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(CCOC)nn2)C1 ZINC001079686010 776683074 /nfs/dbraw/zinc/68/30/74/776683074.db2.gz LSQZXNSPLPGDMZ-ZYHUDNBSSA-N 1 2 327.816 0.727 20 30 ECEDLO CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001079740449 776783705 /nfs/dbraw/zinc/78/37/05/776783705.db2.gz MTVYNTPGDYTAFD-HZPDHXFCSA-N 1 2 340.427 0.996 20 30 ECEDLO CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001079741465 776784447 /nfs/dbraw/zinc/78/44/47/776784447.db2.gz IQQJMWGBHUPVEB-HNNXBMFYSA-N 1 2 340.427 0.918 20 30 ECEDLO CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CN(C(=O)CSCC#N)C1 ZINC001079852926 776981144 /nfs/dbraw/zinc/98/11/44/776981144.db2.gz XYWWPYJGYZYLBX-LBPRGKRZSA-N 1 2 349.460 0.904 20 30 ECEDLO CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CN(C(=O)CSCC#N)C1 ZINC001079852926 776981148 /nfs/dbraw/zinc/98/11/48/776981148.db2.gz XYWWPYJGYZYLBX-LBPRGKRZSA-N 1 2 349.460 0.904 20 30 ECEDLO C#CCOCCC(=O)N1CC(N(CC)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001079965837 777163156 /nfs/dbraw/zinc/16/31/56/777163156.db2.gz AWIGGKCKAJZVPL-UHFFFAOYSA-N 1 2 332.404 0.442 20 30 ECEDLO C#CCOCCC(=O)N1CC(N(CC)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001079965837 777163160 /nfs/dbraw/zinc/16/31/60/777163160.db2.gz AWIGGKCKAJZVPL-UHFFFAOYSA-N 1 2 332.404 0.442 20 30 ECEDLO C=CCCOCC(=O)N1CC(N(CC)C(=O)CCn2cc[nH+]c2)C1 ZINC001080167736 777492241 /nfs/dbraw/zinc/49/22/41/777492241.db2.gz AEVRDOICRABZSZ-UHFFFAOYSA-N 1 2 334.420 0.925 20 30 ECEDLO C#CCCCC(=O)NC1(CNC(=O)CCn2cc[nH+]c2)CCOCC1 ZINC001070093002 790576377 /nfs/dbraw/zinc/57/63/77/790576377.db2.gz CLFNLYBBBJGLEN-UHFFFAOYSA-N 1 2 346.431 0.858 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001070093784 790580356 /nfs/dbraw/zinc/58/03/56/790580356.db2.gz HLCDODXZEPAETF-CVEARBPZSA-N 1 2 341.419 0.226 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2c(C)n[nH]c2C)[C@@H](n2ccnn2)C1 ZINC001070093784 790580364 /nfs/dbraw/zinc/58/03/64/790580364.db2.gz HLCDODXZEPAETF-CVEARBPZSA-N 1 2 341.419 0.226 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2c(C)onc2CC)[C@@H](n2ccnn2)C1 ZINC001070094094 790581059 /nfs/dbraw/zinc/58/10/59/790581059.db2.gz YRZRDNNYNWFUGD-KGLIPLIRSA-N 1 2 330.392 0.978 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2c(C)onc2CC)[C@@H](n2ccnn2)C1 ZINC001070094094 790581062 /nfs/dbraw/zinc/58/10/62/790581062.db2.gz YRZRDNNYNWFUGD-KGLIPLIRSA-N 1 2 330.392 0.978 20 30 ECEDLO CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001043228382 778011478 /nfs/dbraw/zinc/01/14/78/778011478.db2.gz KUONERHCXNPBKB-CQSZACIVSA-N 1 2 346.431 0.471 20 30 ECEDLO CC#CCCCC(=O)N1CC(O)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001043228382 778011484 /nfs/dbraw/zinc/01/14/84/778011484.db2.gz KUONERHCXNPBKB-CQSZACIVSA-N 1 2 346.431 0.471 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3cc(OC)no3)C[C@H]2C)nn1 ZINC001080578136 778081706 /nfs/dbraw/zinc/08/17/06/778081706.db2.gz ZUAJKKDVWDTSHH-DGCLKSJQSA-N 1 2 346.391 0.711 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3cc(OC)no3)C[C@H]2C)nn1 ZINC001080578136 778081713 /nfs/dbraw/zinc/08/17/13/778081713.db2.gz ZUAJKKDVWDTSHH-DGCLKSJQSA-N 1 2 346.391 0.711 20 30 ECEDLO CC(C)C#CC(=O)NC1(CNC(=O)CCc2c[nH]c[nH+]2)CCOCC1 ZINC001070109004 790633346 /nfs/dbraw/zinc/63/33/46/790633346.db2.gz ZCRHDUIXAHNRQY-UHFFFAOYSA-N 1 2 346.431 0.783 20 30 ECEDLO CC(C)C#CC(=O)NC1(CNC(=O)CCc2c[nH+]c[nH]2)CCOCC1 ZINC001070109004 790633354 /nfs/dbraw/zinc/63/33/54/790633354.db2.gz ZCRHDUIXAHNRQY-UHFFFAOYSA-N 1 2 346.431 0.783 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C2CC(C)(C)C2)C1 ZINC001043649055 778665261 /nfs/dbraw/zinc/66/52/61/778665261.db2.gz KOEHZZPQWOHBFY-HNNXBMFYSA-N 1 2 347.459 0.210 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C2CC(C)(C)C2)C1 ZINC001043649055 778665265 /nfs/dbraw/zinc/66/52/65/778665265.db2.gz KOEHZZPQWOHBFY-HNNXBMFYSA-N 1 2 347.459 0.210 20 30 ECEDLO O=C(C#CC1CC1)NC1(CNC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001070112116 790643291 /nfs/dbraw/zinc/64/32/91/790643291.db2.gz MTCAXNZYAGCZBA-UHFFFAOYSA-N 1 2 330.388 0.147 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001043669720 778691870 /nfs/dbraw/zinc/69/18/70/778691870.db2.gz HVZAVRMPOVYNPH-UHFFFAOYSA-N 1 2 347.415 0.534 20 30 ECEDLO C#CCCCC(=O)N1CC(O)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001043670490 778693792 /nfs/dbraw/zinc/69/37/92/778693792.db2.gz MHYZCTNFPXXRHF-UHFFFAOYSA-N 1 2 346.431 0.420 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1CC(O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001043701168 778743809 /nfs/dbraw/zinc/74/38/09/778743809.db2.gz ZDHRNOMVONTJDT-HNNXBMFYSA-N 1 2 348.447 0.955 20 30 ECEDLO C[C@H](C#N)C(=O)NCC1(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001070129455 790707116 /nfs/dbraw/zinc/70/71/16/790707116.db2.gz MJXZGQKFOHTXRV-CHWSQXEVSA-N 1 2 347.419 0.530 20 30 ECEDLO C[C@H](C#N)C(=O)NCC1(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCOCC1 ZINC001070129455 790707122 /nfs/dbraw/zinc/70/71/22/790707122.db2.gz MJXZGQKFOHTXRV-CHWSQXEVSA-N 1 2 347.419 0.530 20 30 ECEDLO C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001042632104 780562279 /nfs/dbraw/zinc/56/22/79/780562279.db2.gz BBBMKZZRNMCLPQ-BPGGGUHBSA-N 1 2 337.387 0.816 20 30 ECEDLO C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001042632104 780562284 /nfs/dbraw/zinc/56/22/84/780562284.db2.gz BBBMKZZRNMCLPQ-BPGGGUHBSA-N 1 2 337.387 0.816 20 30 ECEDLO C=CCOCC(=O)N1CCC[C@H](N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001078993173 780685212 /nfs/dbraw/zinc/68/52/12/780685212.db2.gz PLTCZDNPAWFKJQ-HNNXBMFYSA-N 1 2 334.420 0.925 20 30 ECEDLO CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCCN(C(=O)CSCC#N)CC1 ZINC001078992503 780685268 /nfs/dbraw/zinc/68/52/68/780685268.db2.gz FYYDPODAKFMUTN-CQSZACIVSA-N 1 2 349.460 0.979 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[NH+](CCCCCNC(=O)c2nnc[nH]2)CC1 ZINC001079163101 780841525 /nfs/dbraw/zinc/84/15/25/780841525.db2.gz QQHYJCRKLDFMSW-CYBMUJFWSA-N 1 2 347.423 0.009 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[NH+](CCCCCNC(=O)c2ncn[nH]2)CC1 ZINC001079163101 780841532 /nfs/dbraw/zinc/84/15/32/780841532.db2.gz QQHYJCRKLDFMSW-CYBMUJFWSA-N 1 2 347.423 0.009 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[NH+](CCCCCNC(=O)c2nc[nH]n2)CC1 ZINC001079163101 780841540 /nfs/dbraw/zinc/84/15/40/780841540.db2.gz QQHYJCRKLDFMSW-CYBMUJFWSA-N 1 2 347.423 0.009 20 30 ECEDLO C=C1CCC(C(=O)N2CC(O)(CNC(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001042827483 780899582 /nfs/dbraw/zinc/89/95/82/780899582.db2.gz UEGIBHBPMVJAOS-UHFFFAOYSA-N 1 2 346.431 0.778 20 30 ECEDLO CCN(C(=O)CSCC#N)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001079343374 781007030 /nfs/dbraw/zinc/00/70/30/781007030.db2.gz FCLMHCRIFGMDNB-UHFFFAOYSA-N 1 2 335.433 0.589 20 30 ECEDLO CC(C)C#CC(=O)NCC1(O)CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001042943324 781077864 /nfs/dbraw/zinc/07/78/64/781077864.db2.gz OLRWSQZCMLGHHP-UHFFFAOYSA-N 1 2 340.383 0.525 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@@H](C)c2n[nH]c(CC)n2)C1 ZINC001042959809 781100814 /nfs/dbraw/zinc/10/08/14/781100814.db2.gz FDIIVPZAPWMCPY-ZFWWWQNUSA-N 1 2 344.463 0.668 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN([C@@H](C)c2n[nH]c(CC)n2)C1 ZINC001042959809 781100816 /nfs/dbraw/zinc/10/08/16/781100816.db2.gz FDIIVPZAPWMCPY-ZFWWWQNUSA-N 1 2 344.463 0.668 20 30 ECEDLO C=CCOCC(=O)N(CC)C1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001079492691 781180059 /nfs/dbraw/zinc/18/00/59/781180059.db2.gz IKTWEBBAJBOBEC-ZDUSSCGKSA-N 1 2 334.420 0.850 20 30 ECEDLO C=CCOCC(=O)N(CC)C1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001079492691 781180064 /nfs/dbraw/zinc/18/00/64/781180064.db2.gz IKTWEBBAJBOBEC-ZDUSSCGKSA-N 1 2 334.420 0.850 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001077694081 781529567 /nfs/dbraw/zinc/52/95/67/781529567.db2.gz DUAWRRDMGCXBKL-FPCVCCKLSA-N 1 2 347.440 0.872 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001077694081 781529574 /nfs/dbraw/zinc/52/95/74/781529574.db2.gz DUAWRRDMGCXBKL-FPCVCCKLSA-N 1 2 347.440 0.872 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnccc2C(F)(F)F)C1 ZINC001077740307 781628994 /nfs/dbraw/zinc/62/89/94/781628994.db2.gz HENMPJFICFUPRF-CHWSQXEVSA-N 1 2 327.306 0.899 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnccc2C(F)(F)F)C1 ZINC001077740307 781628997 /nfs/dbraw/zinc/62/89/97/781628997.db2.gz HENMPJFICFUPRF-CHWSQXEVSA-N 1 2 327.306 0.899 20 30 ECEDLO CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@]2(CCN(CC#N)C2)C1 ZINC001041507285 781657047 /nfs/dbraw/zinc/65/70/47/781657047.db2.gz WAQYCGACHQSLDL-WMZOPIPTSA-N 1 2 334.464 0.935 20 30 ECEDLO CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@]2(CCN(CC#N)C2)C1 ZINC001041507285 781657051 /nfs/dbraw/zinc/65/70/51/781657051.db2.gz WAQYCGACHQSLDL-WMZOPIPTSA-N 1 2 334.464 0.935 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](Cc3scnc3C)C[C@H]2O)nn1 ZINC001077802575 781723111 /nfs/dbraw/zinc/72/31/11/781723111.db2.gz OASOPMBRCMTIQS-DGCLKSJQSA-N 1 2 348.432 0.204 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](Cc3scnc3C)C[C@H]2O)nn1 ZINC001077802575 781723117 /nfs/dbraw/zinc/72/31/17/781723117.db2.gz OASOPMBRCMTIQS-DGCLKSJQSA-N 1 2 348.432 0.204 20 30 ECEDLO N#Cc1nccc(N[C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C23CCC3)n1 ZINC001041595969 781820133 /nfs/dbraw/zinc/82/01/33/781820133.db2.gz HZMVQJXQXXFAFR-STQMWFEESA-N 1 2 337.387 0.506 20 30 ECEDLO C[C@@]1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2O)CCOC1 ZINC001077900510 781902195 /nfs/dbraw/zinc/90/21/95/781902195.db2.gz BYSYZZMHRRXTFH-JFIYKMOQSA-N 1 2 347.390 0.785 20 30 ECEDLO C[C@@]1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2O)CCOC1 ZINC001077900510 781902202 /nfs/dbraw/zinc/90/22/02/781902202.db2.gz BYSYZZMHRRXTFH-JFIYKMOQSA-N 1 2 347.390 0.785 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)c[nH+]1 ZINC001040768540 783398021 /nfs/dbraw/zinc/39/80/21/783398021.db2.gz CTAYZZFOUKFCPS-SJCJKPOMSA-N 1 2 347.419 0.166 20 30 ECEDLO C=C[C@](C)(CC)C(=O)NC[C@]1(O)CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001040812802 783488819 /nfs/dbraw/zinc/48/88/19/783488819.db2.gz LESOTHIVHFXEJT-QZTJIDSGSA-N 1 2 348.447 0.943 20 30 ECEDLO CC(C)N1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001038146271 783917047 /nfs/dbraw/zinc/91/70/47/783917047.db2.gz QPKQNAGIOVGOJL-UKRRQHHQSA-N 1 2 329.404 0.700 20 30 ECEDLO CC(C)N1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)c2cc(C#N)c[nH]2)C1=O ZINC001038146271 783917053 /nfs/dbraw/zinc/91/70/53/783917053.db2.gz QPKQNAGIOVGOJL-UKRRQHHQSA-N 1 2 329.404 0.700 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CC[N@@H+]2[C@@H]2CCN(C3CCC3)C2=O)c[nH]1 ZINC001038174875 783950682 /nfs/dbraw/zinc/95/06/82/783950682.db2.gz KFLPICWJXDCMHS-HZPDHXFCSA-N 1 2 341.415 0.844 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CC[N@H+]2[C@@H]2CCN(C3CCC3)C2=O)c[nH]1 ZINC001038174875 783950689 /nfs/dbraw/zinc/95/06/89/783950689.db2.gz KFLPICWJXDCMHS-HZPDHXFCSA-N 1 2 341.415 0.844 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)c2ccnn2CC)C1=O ZINC001038187355 783969524 /nfs/dbraw/zinc/96/95/24/783969524.db2.gz XNHGMWAKUJPXHS-HIFRSBDPSA-N 1 2 331.420 0.494 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)c2ccnn2CC)C1=O ZINC001038187355 783969529 /nfs/dbraw/zinc/96/95/29/783969529.db2.gz XNHGMWAKUJPXHS-HIFRSBDPSA-N 1 2 331.420 0.494 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CSC)C1 ZINC001070903972 784084307 /nfs/dbraw/zinc/08/43/07/784084307.db2.gz SJHCYTKMKHEOOX-MCIONIFRSA-N 1 2 337.445 0.479 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CSC)C1 ZINC001070903972 784084313 /nfs/dbraw/zinc/08/43/13/784084313.db2.gz SJHCYTKMKHEOOX-MCIONIFRSA-N 1 2 337.445 0.479 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001070916579 784109417 /nfs/dbraw/zinc/10/94/17/784109417.db2.gz QEJWHHDUBZAPAY-RDGWLKQMSA-N 1 2 347.415 0.171 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001070916579 784109426 /nfs/dbraw/zinc/10/94/26/784109426.db2.gz QEJWHHDUBZAPAY-RDGWLKQMSA-N 1 2 347.415 0.171 20 30 ECEDLO C=CCCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001070933980 784150099 /nfs/dbraw/zinc/15/00/99/784150099.db2.gz MCJLBGNSCIGGBX-LSDHHAIUSA-N 1 2 334.420 0.972 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2cnn(CC)n2)CC1 ZINC001070960097 784233166 /nfs/dbraw/zinc/23/31/66/784233166.db2.gz VJYNYLHHRIVPBI-UHFFFAOYSA-N 1 2 334.424 0.138 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2cnn(CC)n2)CC1 ZINC001070960097 784233173 /nfs/dbraw/zinc/23/31/73/784233173.db2.gz VJYNYLHHRIVPBI-UHFFFAOYSA-N 1 2 334.424 0.138 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ncc(C)cc2C)CC1 ZINC001070981722 784313195 /nfs/dbraw/zinc/31/31/95/784313195.db2.gz ODODJDTUIGSPSI-UHFFFAOYSA-N 1 2 342.443 0.986 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ncc(C)cc2C)CC1 ZINC001070981722 784313203 /nfs/dbraw/zinc/31/32/03/784313203.db2.gz ODODJDTUIGSPSI-UHFFFAOYSA-N 1 2 342.443 0.986 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)Cc2ncccc2F)CC1 ZINC001070992473 784344853 /nfs/dbraw/zinc/34/48/53/784344853.db2.gz KDQFBTBFWGKCMT-UHFFFAOYSA-N 1 2 348.422 0.990 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)Cc2ncccc2F)CC1 ZINC001070992473 784344862 /nfs/dbraw/zinc/34/48/62/784344862.db2.gz KDQFBTBFWGKCMT-UHFFFAOYSA-N 1 2 348.422 0.990 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2ccn(CC)n2)CC1 ZINC001071005774 784386775 /nfs/dbraw/zinc/38/67/75/784386775.db2.gz HTVRHCTWJRTPAA-UHFFFAOYSA-N 1 2 333.436 0.743 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2ccn(CC)n2)CC1 ZINC001071005774 784386780 /nfs/dbraw/zinc/38/67/80/784386780.db2.gz HTVRHCTWJRTPAA-UHFFFAOYSA-N 1 2 333.436 0.743 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)CCn3cc[nH+]c3)C2)[nH]1 ZINC001070624550 784453249 /nfs/dbraw/zinc/45/32/49/784453249.db2.gz WTNBIYSAYKYOKH-CQSZACIVSA-N 1 2 340.387 0.894 20 30 ECEDLO Cc1nonc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1c1cncn1C ZINC001070630470 784462315 /nfs/dbraw/zinc/46/23/15/784462315.db2.gz ROYMBZQCWNYHRG-ZKYQVNSYSA-N 1 2 343.391 0.355 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001071084218 784526803 /nfs/dbraw/zinc/52/68/03/784526803.db2.gz JCZMXHNYJDFZAF-OAHLLOKOSA-N 1 2 346.431 0.500 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001070728085 784607182 /nfs/dbraw/zinc/60/71/82/784607182.db2.gz GJDQUORIIQYZNF-HZPDHXFCSA-N 1 2 346.431 0.809 20 30 ECEDLO C[N@@H+]1CCC[C@H]1C(=O)NCc1nc([C@H]2C[C@H](F)CN2CC#N)n[nH]1 ZINC001070729104 784611916 /nfs/dbraw/zinc/61/19/16/784611916.db2.gz YXXDNAOSUGQGIH-SDDRHHMPSA-N 1 2 335.387 0.124 20 30 ECEDLO C[N@H+]1CCC[C@H]1C(=O)NCc1nc([C@H]2C[C@H](F)CN2CC#N)n[nH]1 ZINC001070729104 784611922 /nfs/dbraw/zinc/61/19/22/784611922.db2.gz YXXDNAOSUGQGIH-SDDRHHMPSA-N 1 2 335.387 0.124 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@@H](C)SC)C2)C(=O)C1 ZINC001071255323 784850235 /nfs/dbraw/zinc/85/02/35/784850235.db2.gz KZMQNCPUXQEJAU-HUUCEWRRSA-N 1 2 337.489 0.896 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@@H](C)SC)C2)C(=O)C1 ZINC001071255323 784850244 /nfs/dbraw/zinc/85/02/44/784850244.db2.gz KZMQNCPUXQEJAU-HUUCEWRRSA-N 1 2 337.489 0.896 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CC34CC4)C2)C(=O)C1 ZINC001071273904 784910985 /nfs/dbraw/zinc/91/09/85/784910985.db2.gz KHWMADBVXMVCAV-HOTGVXAUSA-N 1 2 329.444 0.945 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CC34CC4)C2)C(=O)C1 ZINC001071273904 784910988 /nfs/dbraw/zinc/91/09/88/784910988.db2.gz KHWMADBVXMVCAV-HOTGVXAUSA-N 1 2 329.444 0.945 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3cccnn3)C2)C(=O)C1 ZINC001071275537 784915472 /nfs/dbraw/zinc/91/54/72/784915472.db2.gz JIRYSJBIXABULE-OAHLLOKOSA-N 1 2 341.415 0.249 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3cccnn3)C2)C(=O)C1 ZINC001071275537 784915478 /nfs/dbraw/zinc/91/54/78/784915478.db2.gz JIRYSJBIXABULE-OAHLLOKOSA-N 1 2 341.415 0.249 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3oncc3C)C2)C(=O)C1 ZINC001071277403 784923892 /nfs/dbraw/zinc/92/38/92/784923892.db2.gz TVSVUMISXZLMLJ-HNNXBMFYSA-N 1 2 344.415 0.755 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3oncc3C)C2)C(=O)C1 ZINC001071277403 784923898 /nfs/dbraw/zinc/92/38/98/784923898.db2.gz TVSVUMISXZLMLJ-HNNXBMFYSA-N 1 2 344.415 0.755 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3[nH]cnc3C)C2)C(=O)C1 ZINC001071304309 784941537 /nfs/dbraw/zinc/94/15/37/784941537.db2.gz DBVXLKSRSSTAEC-HNNXBMFYSA-N 1 2 343.431 0.490 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3[nH]cnc3C)C2)C(=O)C1 ZINC001071304309 784941543 /nfs/dbraw/zinc/94/15/43/784941543.db2.gz DBVXLKSRSSTAEC-HNNXBMFYSA-N 1 2 343.431 0.490 20 30 ECEDLO C[C@@H]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C[N@@H+]1Cc1cnnn1C ZINC001071430724 785077967 /nfs/dbraw/zinc/07/79/67/785077967.db2.gz FMCSDYKEZCKZIW-DGCLKSJQSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@@H]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C[N@H+]1Cc1cnnn1C ZINC001071430724 785077972 /nfs/dbraw/zinc/07/79/72/785077972.db2.gz FMCSDYKEZCKZIW-DGCLKSJQSA-N 1 2 327.392 0.798 20 30 ECEDLO C=CCCOCC(=O)N[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001072318183 786032066 /nfs/dbraw/zinc/03/20/66/786032066.db2.gz ZKSCMXKBSAVGMY-UKRRQHHQSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCCOCC(=O)N[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001072318183 786032068 /nfs/dbraw/zinc/03/20/68/786032068.db2.gz ZKSCMXKBSAVGMY-UKRRQHHQSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001072337837 786042958 /nfs/dbraw/zinc/04/29/58/786042958.db2.gz XLJMKUOKZRAQOG-CABCVRRESA-N 1 2 348.447 0.909 20 30 ECEDLO Cn1c[nH+]cc1CN1CCO[C@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 ZINC001074239349 786484762 /nfs/dbraw/zinc/48/47/62/786484762.db2.gz YYEZCVCPUBEQKL-IRXDYDNUSA-N 1 2 328.416 0.635 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccn4nnnc34)C[C@@H]21 ZINC001074253310 786521806 /nfs/dbraw/zinc/52/18/06/786521806.db2.gz UPQFLIKOWZFUIE-LSDHHAIUSA-N 1 2 340.387 0.063 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccn4nnnc34)C[C@@H]21 ZINC001074253310 786521812 /nfs/dbraw/zinc/52/18/12/786521812.db2.gz UPQFLIKOWZFUIE-LSDHHAIUSA-N 1 2 340.387 0.063 20 30 ECEDLO C=CCCC(=O)N1CCN(C2CN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001073551296 786562735 /nfs/dbraw/zinc/56/27/35/786562735.db2.gz IAUPEAQDJVGDNX-UHFFFAOYSA-N 1 2 345.447 0.664 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(=O)n3C)C[C@@H]21 ZINC001074336232 786700696 /nfs/dbraw/zinc/70/06/96/786700696.db2.gz LURFSTQKARYOPD-JKSUJKDBSA-N 1 2 329.400 0.324 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(=O)n3C)C[C@@H]21 ZINC001074336232 786700703 /nfs/dbraw/zinc/70/07/03/786700703.db2.gz LURFSTQKARYOPD-JKSUJKDBSA-N 1 2 329.400 0.324 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3cnn(C)n3)C[C@@H]21 ZINC001074337666 786702571 /nfs/dbraw/zinc/70/25/71/786702571.db2.gz AFZRXPGTYCNRFH-JKSUJKDBSA-N 1 2 333.436 0.626 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3cnn(C)n3)C[C@@H]21 ZINC001074337666 786702581 /nfs/dbraw/zinc/70/25/81/786702581.db2.gz AFZRXPGTYCNRFH-JKSUJKDBSA-N 1 2 333.436 0.626 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]3OCC[N@@H+](CCCO)[C@H]3C2)cn1 ZINC001074387854 786825093 /nfs/dbraw/zinc/82/50/93/786825093.db2.gz RHAZPNYMFILPRB-DLBZAZTESA-N 1 2 329.400 0.361 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]3OCC[N@H+](CCCO)[C@H]3C2)cn1 ZINC001074387854 786825101 /nfs/dbraw/zinc/82/51/01/786825101.db2.gz RHAZPNYMFILPRB-DLBZAZTESA-N 1 2 329.400 0.361 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnn(C)c3OC)C[C@@H]21 ZINC001074393068 786836528 /nfs/dbraw/zinc/83/65/28/786836528.db2.gz VEDUFMDHQMORAN-GJZGRUSLSA-N 1 2 332.404 0.367 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnn(C)c3OC)C[C@@H]21 ZINC001074393068 786836542 /nfs/dbraw/zinc/83/65/42/786836542.db2.gz VEDUFMDHQMORAN-GJZGRUSLSA-N 1 2 332.404 0.367 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3cncn3C)C[C@H]21 ZINC001074395372 786844096 /nfs/dbraw/zinc/84/40/96/786844096.db2.gz RZCCOUYAVBGSHW-IAGOWNOFSA-N 1 2 330.432 0.678 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3cncn3C)C[C@H]21 ZINC001074395372 786844109 /nfs/dbraw/zinc/84/41/09/786844109.db2.gz RZCCOUYAVBGSHW-IAGOWNOFSA-N 1 2 330.432 0.678 20 30 ECEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@H]21 ZINC001074402987 786868309 /nfs/dbraw/zinc/86/83/09/786868309.db2.gz ORCBULRLHZAITH-CHWSQXEVSA-N 1 2 345.403 0.067 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@H]21 ZINC001074402987 786868322 /nfs/dbraw/zinc/86/83/22/786868322.db2.gz ORCBULRLHZAITH-CHWSQXEVSA-N 1 2 345.403 0.067 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001073732299 787078853 /nfs/dbraw/zinc/07/88/53/787078853.db2.gz LLMXNDQJDQZAKP-STQMWFEESA-N 1 2 329.828 0.567 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001073732299 787078862 /nfs/dbraw/zinc/07/88/62/787078862.db2.gz LLMXNDQJDQZAKP-STQMWFEESA-N 1 2 329.828 0.567 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)CCC=C)CC1 ZINC001074511610 787132022 /nfs/dbraw/zinc/13/20/22/787132022.db2.gz PMAXUGQEOPLYGS-INIZCTEOSA-N 1 2 347.459 0.520 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CCN(C(=O)CCC=C)CC1 ZINC001074511610 787132023 /nfs/dbraw/zinc/13/20/23/787132023.db2.gz PMAXUGQEOPLYGS-INIZCTEOSA-N 1 2 347.459 0.520 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001073820101 787263473 /nfs/dbraw/zinc/26/34/73/787263473.db2.gz NYBLYXYRMFEEFK-UKRRQHHQSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001073820101 787263475 /nfs/dbraw/zinc/26/34/75/787263475.db2.gz NYBLYXYRMFEEFK-UKRRQHHQSA-N 1 2 334.420 0.898 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NCC1(O)CCN(C(=O)C#CC2CC2)CC1 ZINC001074580915 787315455 /nfs/dbraw/zinc/31/54/55/787315455.db2.gz BLGGKHLFIQHECJ-UHFFFAOYSA-N 1 2 344.415 0.144 20 30 ECEDLO CC(C)(C)C#CC(=O)N1CCC(O)(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001074584016 787326839 /nfs/dbraw/zinc/32/68/39/787326839.db2.gz XVERNWXRPUZINQ-UHFFFAOYSA-N 1 2 346.431 0.471 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001073911384 787508648 /nfs/dbraw/zinc/50/86/48/787508648.db2.gz PDDNVFNUJHPVGI-OLZOCXBDSA-N 1 2 344.843 0.489 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001073911384 787508654 /nfs/dbraw/zinc/50/86/54/787508654.db2.gz PDDNVFNUJHPVGI-OLZOCXBDSA-N 1 2 344.843 0.489 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC(O)(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001074680377 787576864 /nfs/dbraw/zinc/57/68/64/787576864.db2.gz UEBBMPSXLPMICG-LSDHHAIUSA-N 1 2 348.447 0.811 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001073959470 787585357 /nfs/dbraw/zinc/58/53/57/787585357.db2.gz FKDHNAIYHBDUCD-KGLIPLIRSA-N 1 2 332.404 0.345 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001073960356 787587320 /nfs/dbraw/zinc/58/73/20/787587320.db2.gz MZUSEHWSUIEMSH-GOEBONIOSA-N 1 2 346.431 0.356 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001074706201 787647166 /nfs/dbraw/zinc/64/71/66/787647166.db2.gz IKTJAGKJSDICFN-KBPBESRZSA-N 1 2 347.419 0.464 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001074706862 787648682 /nfs/dbraw/zinc/64/86/82/787648682.db2.gz QLSJHTHFTOMVTO-YNEHKIRRSA-N 1 2 345.403 0.143 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001074706862 787648688 /nfs/dbraw/zinc/64/86/88/787648688.db2.gz QLSJHTHFTOMVTO-YNEHKIRRSA-N 1 2 345.403 0.143 20 30 ECEDLO C=C1CC(C)(C(=O)N2CCC(O)(CNC(=O)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001074723576 787696467 /nfs/dbraw/zinc/69/64/67/787696467.db2.gz CGIPQCDRXCYEPU-UHFFFAOYSA-N 1 2 346.431 0.778 20 30 ECEDLO C=CCOCCCC(=O)N[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001072603207 788409870 /nfs/dbraw/zinc/40/98/70/788409870.db2.gz OUJJRWFSCOGEMJ-KGLIPLIRSA-N 1 2 334.420 0.898 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC001074991784 788680734 /nfs/dbraw/zinc/68/07/34/788680734.db2.gz YJSOPCRFMDYZOQ-ZFWWWQNUSA-N 1 2 346.431 0.796 20 30 ECEDLO N#CCN[C@H]1CCO[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001075397918 789325216 /nfs/dbraw/zinc/32/52/16/789325216.db2.gz UGFQTNCLFUFLAG-JKSUJKDBSA-N 1 2 331.420 0.782 20 30 ECEDLO C#CC[NH2+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC001075416218 789344531 /nfs/dbraw/zinc/34/45/31/789344531.db2.gz VZSZSGFKLIDKLU-RHSMWYFYSA-N 1 2 331.420 0.356 20 30 ECEDLO C[C@@H](CCNC(=O)CSCC#N)NC(=O)CCc1c[nH+]cn1C ZINC001075677313 789641579 /nfs/dbraw/zinc/64/15/79/789641579.db2.gz ZIWVNCUYSGMWAK-LBPRGKRZSA-N 1 2 337.449 0.620 20 30 ECEDLO N#Cc1cnc(N2CC[C@@]3(NC(=O)Cc4[nH]cc[nH+]4)CCC[C@H]23)cn1 ZINC001069270801 789721932 /nfs/dbraw/zinc/72/19/32/789721932.db2.gz HFACQRAVXQXXSE-GUYCJALGSA-N 1 2 337.387 0.932 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCCN1c1cncc(C#N)n1 ZINC001069376444 789784409 /nfs/dbraw/zinc/78/44/09/789784409.db2.gz XJSHQPSULDQZDC-JSGCOSHPSA-N 1 2 325.376 0.718 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1c1cnc(C#N)cn1 ZINC001069383686 789789538 /nfs/dbraw/zinc/78/95/38/789789538.db2.gz NCTWMUXDRYPVQE-AAEUAGOBSA-N 1 2 325.376 0.788 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC001073420815 789814091 /nfs/dbraw/zinc/81/40/91/789814091.db2.gz JKQKPMFWMNBLIA-RDTXWAMCSA-N 1 2 348.447 0.954 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC001073423023 789817390 /nfs/dbraw/zinc/81/73/90/789817390.db2.gz VNDJOCMGZBACLX-LSDHHAIUSA-N 1 2 346.431 0.665 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC001073472197 789875715 /nfs/dbraw/zinc/87/57/15/789875715.db2.gz CSDZPVNSGRPPDQ-CQSZACIVSA-N 1 2 346.431 0.735 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CC(=O)N(C)C3)c2C1 ZINC001069862558 790116331 /nfs/dbraw/zinc/11/63/31/790116331.db2.gz USUZFEMIDOSWQU-CYBMUJFWSA-N 1 2 331.420 0.369 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CC(=O)N(C)C3)c2C1 ZINC001069862558 790116334 /nfs/dbraw/zinc/11/63/34/790116334.db2.gz USUZFEMIDOSWQU-CYBMUJFWSA-N 1 2 331.420 0.369 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2coc(CC)n2)[C@@H](n2ccnn2)C1 ZINC001069912230 790180920 /nfs/dbraw/zinc/18/09/20/790180920.db2.gz STAASYFLRRQIGH-OCCSQVGLSA-N 1 2 328.376 0.507 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2coc(CC)n2)[C@@H](n2ccnn2)C1 ZINC001069912230 790180922 /nfs/dbraw/zinc/18/09/22/790180922.db2.gz STAASYFLRRQIGH-OCCSQVGLSA-N 1 2 328.376 0.507 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2COC)[C@@H](n2ccnn2)C1 ZINC001069968054 790255275 /nfs/dbraw/zinc/25/52/75/790255275.db2.gz DJGWKWNAUDMHNY-SJORKVTESA-N 1 2 339.399 0.713 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2COC)[C@@H](n2ccnn2)C1 ZINC001069968054 790255278 /nfs/dbraw/zinc/25/52/78/790255278.db2.gz DJGWKWNAUDMHNY-SJORKVTESA-N 1 2 339.399 0.713 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC2(C1)C[C@H](NC(=O)Cn1cc[nH+]c1)CO2 ZINC001068916360 791412756 /nfs/dbraw/zinc/41/27/56/791412756.db2.gz RDQNGJSZKCKXKX-AWEZNQCLSA-N 1 2 346.431 0.972 20 30 ECEDLO C=CCCC(=O)N1CC2(C1)C[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)CO2 ZINC001068941034 791471523 /nfs/dbraw/zinc/47/15/23/791471523.db2.gz UCBRRKMVRFEOJK-CYBMUJFWSA-N 1 2 332.404 0.713 20 30 ECEDLO C=CCCCC(=O)N[C@H]1COC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001068995399 791564846 /nfs/dbraw/zinc/56/48/46/791564846.db2.gz ZNDKOFIWBQEEKZ-CQSZACIVSA-N 1 2 346.431 0.805 20 30 ECEDLO C[C@@H]1C[C@H](Nc2cncc(C#N)n2)CN1C(=O)Cc1c[nH+]cn1C ZINC001069121129 791722181 /nfs/dbraw/zinc/72/21/81/791722181.db2.gz HUPIXDSTDQWVRE-NEPJUHHUSA-N 1 2 325.376 0.726 20 30 ECEDLO C[C@@H]1C[C@H](Nc2ccnc(C#N)n2)CN1C(=O)CCn1cc[nH+]c1 ZINC001069180056 791762928 /nfs/dbraw/zinc/76/29/28/791762928.db2.gz CWZCXAQSOBEXLH-OLZOCXBDSA-N 1 2 325.376 0.458 20 30 ECEDLO COCC(=O)N1CC[C@@H]([NH+]2CCN(c3nc(C)cc(C#N)n3)CC2)C1 ZINC001066697800 792015609 /nfs/dbraw/zinc/01/56/09/792015609.db2.gz CXUAOWJVMPXNLI-OAHLLOKOSA-N 1 2 344.419 0.026 20 30 ECEDLO CO[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001066698082 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C[C@H](CC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1)n1cccn1 ZINC001266245814 835551414 /nfs/dbraw/zinc/55/14/14/835551414.db2.gz HAFMNAKBOSHBJO-ZIAGYGMSSA-N 1 2 332.408 0.055 20 30 ECEDLO C[C@H](CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1)n1cccn1 ZINC001266245814 835551415 /nfs/dbraw/zinc/55/14/15/835551415.db2.gz HAFMNAKBOSHBJO-ZIAGYGMSSA-N 1 2 332.408 0.055 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001266254368 835560056 /nfs/dbraw/zinc/56/00/56/835560056.db2.gz HLSCGTFMQDRDOC-HNNXBMFYSA-N 1 2 345.447 0.716 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001266254368 835560069 /nfs/dbraw/zinc/56/00/69/835560069.db2.gz HLSCGTFMQDRDOC-HNNXBMFYSA-N 1 2 345.447 0.716 20 30 ECEDLO CO[C@@H](C)CC(=O)NCC[N@H+](C)CC(=O)NCC#Cc1ccccc1 ZINC001266262042 835572044 /nfs/dbraw/zinc/57/20/44/835572044.db2.gz HLXCGYLVPOXLSY-INIZCTEOSA-N 1 2 345.443 0.627 20 30 ECEDLO CO[C@@H](C)CC(=O)NCC[N@@H+](C)CC(=O)NCC#Cc1ccccc1 ZINC001266262042 835572053 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Cc1ccc(F)c(OCC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)c1 ZINC001266320686 835692004 /nfs/dbraw/zinc/69/20/04/835692004.db2.gz DELXSNRFLYCUCJ-CYBMUJFWSA-N 1 2 348.378 0.343 20 30 ECEDLO C[N@H+](CCNC(=O)[C@]1(C)CCCc2ccccc21)CC(=O)NCC#N ZINC001266337232 835721049 /nfs/dbraw/zinc/72/10/49/835721049.db2.gz BLUNGDDXBIEUJB-LJQANCHMSA-N 1 2 342.443 0.968 20 30 ECEDLO C[N@@H+](CCNC(=O)[C@]1(C)CCCc2ccccc21)CC(=O)NCC#N ZINC001266337232 835721056 /nfs/dbraw/zinc/72/10/56/835721056.db2.gz BLUNGDDXBIEUJB-LJQANCHMSA-N 1 2 342.443 0.968 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC3CC3)C2)c1 ZINC001266342034 835728376 /nfs/dbraw/zinc/72/83/76/835728376.db2.gz OIVFZSKCTIHYIG-INIZCTEOSA-N 1 2 326.400 0.393 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC3CC3)C2)c1 ZINC001266342034 835728382 /nfs/dbraw/zinc/72/83/82/835728382.db2.gz OIVFZSKCTIHYIG-INIZCTEOSA-N 1 2 326.400 0.393 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC3CC3)C2)c1 ZINC001266342035 835728759 /nfs/dbraw/zinc/72/87/59/835728759.db2.gz OIVFZSKCTIHYIG-MRXNPFEDSA-N 1 2 326.400 0.393 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC3CC3)C2)c1 ZINC001266342035 835728768 /nfs/dbraw/zinc/72/87/68/835728768.db2.gz OIVFZSKCTIHYIG-MRXNPFEDSA-N 1 2 326.400 0.393 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cnc(C3CC3)nc2)C1 ZINC001266344582 835733329 /nfs/dbraw/zinc/73/33/29/835733329.db2.gz JICKHZSPSSWLBR-IUODEOHRSA-N 1 2 343.431 0.849 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cnc(C3CC3)nc2)C1 ZINC001266344582 835733335 /nfs/dbraw/zinc/73/33/35/835733335.db2.gz JICKHZSPSSWLBR-IUODEOHRSA-N 1 2 343.431 0.849 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N[C@H](C)CC)C2)nn1 ZINC001266346558 835737229 /nfs/dbraw/zinc/73/72/29/835737229.db2.gz CXQKTNHUYZIFER-ZIAGYGMSSA-N 1 2 348.451 0.573 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N[C@H](C)CC)C2)nn1 ZINC001266346558 835737236 /nfs/dbraw/zinc/73/72/36/835737236.db2.gz CXQKTNHUYZIFER-ZIAGYGMSSA-N 1 2 348.451 0.573 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cnn(CCC)c2C)C1 ZINC001266349509 835744376 /nfs/dbraw/zinc/74/43/76/835744376.db2.gz IFIXJWJUEOMAMO-AWEZNQCLSA-N 1 2 333.436 0.708 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(CCC)c2C)C1 ZINC001266349509 835744382 /nfs/dbraw/zinc/74/43/82/835744382.db2.gz IFIXJWJUEOMAMO-AWEZNQCLSA-N 1 2 333.436 0.708 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001266355205 835759859 /nfs/dbraw/zinc/75/98/59/835759859.db2.gz CSRXFUKGXHRPLB-HOCLYGCPSA-N 1 2 345.830 0.920 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001266355205 835759861 /nfs/dbraw/zinc/75/98/61/835759861.db2.gz CSRXFUKGXHRPLB-HOCLYGCPSA-N 1 2 345.830 0.920 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(N(C)C)c(F)c2)C1 ZINC001266361141 835770511 /nfs/dbraw/zinc/77/05/11/835770511.db2.gz IDYLEAHORIGRJS-CQSZACIVSA-N 1 2 346.406 0.445 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(N(C)C)c(F)c2)C1 ZINC001266361141 835770519 /nfs/dbraw/zinc/77/05/19/835770519.db2.gz IDYLEAHORIGRJS-CQSZACIVSA-N 1 2 346.406 0.445 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)c1scnc1C ZINC001266447752 835852111 /nfs/dbraw/zinc/85/21/11/835852111.db2.gz ZCYFGQBJODNHBM-OLZOCXBDSA-N 1 2 334.445 0.784 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1scnc1C ZINC001266447752 835852120 /nfs/dbraw/zinc/85/21/20/835852120.db2.gz ZCYFGQBJODNHBM-OLZOCXBDSA-N 1 2 334.445 0.784 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC001266538068 835957257 /nfs/dbraw/zinc/95/72/57/835957257.db2.gz XWFRWORXSRFABC-ZFWWWQNUSA-N 1 2 335.408 0.479 20 30 ECEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001266538068 835957261 /nfs/dbraw/zinc/95/72/61/835957261.db2.gz XWFRWORXSRFABC-ZFWWWQNUSA-N 1 2 335.408 0.479 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)c2nnnn2C)C1 ZINC001266750345 836239815 /nfs/dbraw/zinc/23/98/15/836239815.db2.gz VFAZKKURCKMLHH-KBPBESRZSA-N 1 2 334.424 0.139 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)c2nnnn2C)C1 ZINC001266750345 836239823 /nfs/dbraw/zinc/23/98/23/836239823.db2.gz VFAZKKURCKMLHH-KBPBESRZSA-N 1 2 334.424 0.139 20 30 ECEDLO Cc1cc(C)n(CC(=O)NC[C@@H]2CCCC[N@@H+]2CC(=O)NCC#N)n1 ZINC001266850708 836381106 /nfs/dbraw/zinc/38/11/06/836381106.db2.gz YXSUNKDKJMRFGE-HNNXBMFYSA-N 1 2 346.435 0.110 20 30 ECEDLO Cc1cc(C)n(CC(=O)NC[C@@H]2CCCC[N@H+]2CC(=O)NCC#N)n1 ZINC001266850708 836381120 /nfs/dbraw/zinc/38/11/20/836381120.db2.gz YXSUNKDKJMRFGE-HNNXBMFYSA-N 1 2 346.435 0.110 20 30 ECEDLO C#CCOCCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1nc(N(C)C)no1 ZINC001266868203 836413075 /nfs/dbraw/zinc/41/30/75/836413075.db2.gz UKIMHODKOAYLGV-CQSZACIVSA-N 1 2 349.435 0.646 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cncn1-c1ccccc1 ZINC001267199615 836971877 /nfs/dbraw/zinc/97/18/77/836971877.db2.gz RCMKSAQCQZVSLX-UHFFFAOYSA-N 1 2 341.415 0.836 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cncn1-c1ccccc1 ZINC001267199615 836971881 /nfs/dbraw/zinc/97/18/81/836971881.db2.gz RCMKSAQCQZVSLX-UHFFFAOYSA-N 1 2 341.415 0.836 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC001267230941 837036206 /nfs/dbraw/zinc/03/62/06/837036206.db2.gz IQWWAZGWQASDLT-HIFRSBDPSA-N 1 2 349.381 0.866 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC001267230941 837036214 /nfs/dbraw/zinc/03/62/14/837036214.db2.gz IQWWAZGWQASDLT-HIFRSBDPSA-N 1 2 349.381 0.866 20 30 ECEDLO C=CCn1cc(C(=O)NCC2(NC(=O)CCn3cc[nH+]c3)CC2)nn1 ZINC001299165164 837075038 /nfs/dbraw/zinc/07/50/38/837075038.db2.gz LHIWKCNPSJBORR-UHFFFAOYSA-N 1 2 343.391 0.130 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cnc(N(C)C)cn1 ZINC001267268366 837107568 /nfs/dbraw/zinc/10/75/68/837107568.db2.gz ZEQOYTGDWUTIGO-ZDUSSCGKSA-N 1 2 346.435 0.039 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnc(N(C)C)cn1 ZINC001267268366 837107570 /nfs/dbraw/zinc/10/75/70/837107570.db2.gz ZEQOYTGDWUTIGO-ZDUSSCGKSA-N 1 2 346.435 0.039 20 30 ECEDLO CN(CCN1CC[NH+](CC(=O)N2CCC2)CC1)C(=O)C#CC(C)(C)C ZINC001267607668 837951700 /nfs/dbraw/zinc/95/17/00/837951700.db2.gz QEMLDUUUJFDVDO-UHFFFAOYSA-N 1 2 348.491 0.344 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(CCN(C)C(=O)[C@@H](F)CC)CC1 ZINC001267609080 837965339 /nfs/dbraw/zinc/96/53/39/837965339.db2.gz OAATXEYDBWRROA-GJZGRUSLSA-N 1 2 342.459 0.501 20 30 ECEDLO CN(CC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1)c1ccccc1 ZINC001267621226 838059431 /nfs/dbraw/zinc/05/94/31/838059431.db2.gz QFOABKKOPUAPGX-OAHLLOKOSA-N 1 2 343.431 0.343 20 30 ECEDLO CN(CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1)c1ccccc1 ZINC001267621226 838059446 /nfs/dbraw/zinc/05/94/46/838059446.db2.gz QFOABKKOPUAPGX-OAHLLOKOSA-N 1 2 343.431 0.343 20 30 ECEDLO CC(C)(C)C#CC(=O)NC1C[NH+](C[C@@H](O)COCC(F)(F)F)C1 ZINC001267645196 838129640 /nfs/dbraw/zinc/12/96/40/838129640.db2.gz ORONOGRQPBGRER-GFCCVEGCSA-N 1 2 336.354 0.776 20 30 ECEDLO C=CCNC(=O)[C@H](C)N1CC(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267648761 838140575 /nfs/dbraw/zinc/14/05/75/838140575.db2.gz CVNBCCYZBGOQFY-HOCLYGCPSA-N 1 2 347.463 0.961 20 30 ECEDLO CCN(CCNC(=O)c1c[nH]c(C#N)c1)C(=O)Cc1c[nH+]cn1C ZINC001408734094 838172173 /nfs/dbraw/zinc/17/21/73/838172173.db2.gz IYDIXEHIHBQUIS-UHFFFAOYSA-N 1 2 328.376 0.441 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC1C[NH+]([C@H](C)C(=O)NCc2ccco2)C1 ZINC001267681443 838242006 /nfs/dbraw/zinc/24/20/06/838242006.db2.gz MZCYUVROXWGACZ-ZIAGYGMSSA-N 1 2 347.415 0.371 20 30 ECEDLO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1CCCS1(=O)=O ZINC001267704295 838304183 /nfs/dbraw/zinc/30/41/83/838304183.db2.gz LYJRDGLTRJFDCQ-KBPBESRZSA-N 1 2 327.450 0.273 20 30 ECEDLO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1CCCS1(=O)=O ZINC001267704295 838304191 /nfs/dbraw/zinc/30/41/91/838304191.db2.gz LYJRDGLTRJFDCQ-KBPBESRZSA-N 1 2 327.450 0.273 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1(COC)CC1 ZINC001267706131 838307664 /nfs/dbraw/zinc/30/76/64/838307664.db2.gz BZQMBNPEEVEWRC-KKUMJFAQSA-N 1 2 335.448 0.779 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1(COC)CC1 ZINC001267706131 838307671 /nfs/dbraw/zinc/30/76/71/838307671.db2.gz BZQMBNPEEVEWRC-KKUMJFAQSA-N 1 2 335.448 0.779 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2cccnc2)C1 ZINC001267717784 838365766 /nfs/dbraw/zinc/36/57/66/838365766.db2.gz LLZHFQUAYGTTMZ-OCCSQVGLSA-N 1 2 345.403 0.286 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cccnc2)C1 ZINC001267717784 838365773 /nfs/dbraw/zinc/36/57/73/838365773.db2.gz LLZHFQUAYGTTMZ-OCCSQVGLSA-N 1 2 345.403 0.286 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccnn2[C@H](C)CC)C1 ZINC001267723623 838378553 /nfs/dbraw/zinc/37/85/53/838378553.db2.gz HIGYFAYCTZOHCM-KGLIPLIRSA-N 1 2 331.420 0.408 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccnn2[C@H](C)CC)C1 ZINC001267723623 838378557 /nfs/dbraw/zinc/37/85/57/838378557.db2.gz HIGYFAYCTZOHCM-KGLIPLIRSA-N 1 2 331.420 0.408 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2sc(CC)nc2C)C1 ZINC001267730919 838417329 /nfs/dbraw/zinc/41/73/29/838417329.db2.gz GVYMRUNWOLUBOQ-OLZOCXBDSA-N 1 2 348.472 0.956 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2sc(CC)nc2C)C1 ZINC001267730919 838417332 /nfs/dbraw/zinc/41/73/32/838417332.db2.gz GVYMRUNWOLUBOQ-OLZOCXBDSA-N 1 2 348.472 0.956 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cc(OCC)no2)C1 ZINC001267745026 838449210 /nfs/dbraw/zinc/44/92/10/838449210.db2.gz RJFSYSOOUXJRBQ-NWDGAFQWSA-N 1 2 336.392 0.568 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cc(OCC)no2)C1 ZINC001267745026 838449214 /nfs/dbraw/zinc/44/92/14/838449214.db2.gz RJFSYSOOUXJRBQ-NWDGAFQWSA-N 1 2 336.392 0.568 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001267745397 838450916 /nfs/dbraw/zinc/45/09/16/838450916.db2.gz PAFSJJSBRYSJCN-GFCCVEGCSA-N 1 2 333.436 0.814 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001267745397 838450918 /nfs/dbraw/zinc/45/09/18/838450918.db2.gz PAFSJJSBRYSJCN-GFCCVEGCSA-N 1 2 333.436 0.814 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2[nH]nnc2C)C1 ZINC001267746854 838453617 /nfs/dbraw/zinc/45/36/17/838453617.db2.gz ZWQFSFFVNXZRGC-CYBMUJFWSA-N 1 2 332.408 0.118 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]nnc2C)C1 ZINC001267746854 838453619 /nfs/dbraw/zinc/45/36/19/838453619.db2.gz ZWQFSFFVNXZRGC-CYBMUJFWSA-N 1 2 332.408 0.118 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC2(F)F)C1 ZINC001267762623 838491947 /nfs/dbraw/zinc/49/19/47/838491947.db2.gz SFZZVZYKUJJWNV-MNOVXSKESA-N 1 2 344.362 0.186 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC2(F)F)C1 ZINC001267762623 838491949 /nfs/dbraw/zinc/49/19/49/838491949.db2.gz SFZZVZYKUJJWNV-MNOVXSKESA-N 1 2 344.362 0.186 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccnn2C(C)C)C1 ZINC001267763579 838493316 /nfs/dbraw/zinc/49/33/16/838493316.db2.gz OAOOPKPQXDCPJY-CQSZACIVSA-N 1 2 333.436 0.913 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccnn2C(C)C)C1 ZINC001267763579 838493317 /nfs/dbraw/zinc/49/33/17/838493317.db2.gz OAOOPKPQXDCPJY-CQSZACIVSA-N 1 2 333.436 0.913 20 30 ECEDLO CN(C(=O)c1c(C2CC2)cnn1C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267768745 838509109 /nfs/dbraw/zinc/50/91/09/838509109.db2.gz WBVJQWIMUFKQHG-CYBMUJFWSA-N 1 2 344.419 0.084 20 30 ECEDLO CN(C(=O)c1c(C2CC2)cnn1C)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267768745 838509121 /nfs/dbraw/zinc/50/91/21/838509121.db2.gz WBVJQWIMUFKQHG-CYBMUJFWSA-N 1 2 344.419 0.084 20 30 ECEDLO C#Cc1ccc(C(=O)NC2(C[NH2+]Cc3nnn(C)n3)CCCC2)nc1 ZINC001267844974 838641436 /nfs/dbraw/zinc/64/14/36/838641436.db2.gz PAKVICGFTJSXIB-UHFFFAOYSA-N 1 2 339.403 0.419 20 30 ECEDLO C=CCOCCCC(=O)N1CC(n2cc(C[NH2+]CC#CC)nn2)C1 ZINC001105202618 838765483 /nfs/dbraw/zinc/76/54/83/838765483.db2.gz NFIYXZDZOFMESV-UHFFFAOYSA-N 1 2 331.420 0.757 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[C@@H]2CCCCO2)C1 ZINC001267937494 838819445 /nfs/dbraw/zinc/81/94/45/838819445.db2.gz NWQVKAWMYJGLGP-CVEARBPZSA-N 1 2 349.475 0.912 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[C@@H]2CCCCO2)C1 ZINC001267937494 838819457 /nfs/dbraw/zinc/81/94/57/838819457.db2.gz NWQVKAWMYJGLGP-CVEARBPZSA-N 1 2 349.475 0.912 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NC(N)=O)C2)cc1 ZINC001267956625 838861662 /nfs/dbraw/zinc/86/16/62/838861662.db2.gz LKRAMVBORQOLKH-CQSZACIVSA-N 1 2 328.372 0.057 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC(N)=O)C2)cc1 ZINC001267956625 838861675 /nfs/dbraw/zinc/86/16/75/838861675.db2.gz LKRAMVBORQOLKH-CQSZACIVSA-N 1 2 328.372 0.057 20 30 ECEDLO C=CCOCC[N@@H+]1CCO[C@H](CNC(=O)c2cc(N(C)C)ccn2)C1 ZINC001268028766 839043731 /nfs/dbraw/zinc/04/37/31/839043731.db2.gz NAYUMAGHZOCKMA-MRXNPFEDSA-N 1 2 348.447 0.781 20 30 ECEDLO C=CCOCC[N@H+]1CCO[C@H](CNC(=O)c2cc(N(C)C)ccn2)C1 ZINC001268028766 839043742 /nfs/dbraw/zinc/04/37/42/839043742.db2.gz NAYUMAGHZOCKMA-MRXNPFEDSA-N 1 2 348.447 0.781 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1c(F)cc(C#N)cc1F ZINC000132315780 529959705 /nfs/dbraw/zinc/95/97/05/529959705.db2.gz ULPGSVSANIZZTG-LBPRGKRZSA-N 1 2 339.342 0.602 20 30 ECEDLO COC(=O)CNC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554455 219136185 /nfs/dbraw/zinc/13/61/85/219136185.db2.gz YRHGCUJNIPHTHK-CYBMUJFWSA-N 1 2 330.388 0.358 20 30 ECEDLO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554874 219136753 /nfs/dbraw/zinc/13/67/53/219136753.db2.gz LPNJTUDOTRJIMW-CYBMUJFWSA-N 1 2 329.404 0.914 20 30 ECEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000245782109 243155470 /nfs/dbraw/zinc/15/54/70/243155470.db2.gz CRPXXZCPYMEYSJ-KGLIPLIRSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000245782109 243155475 /nfs/dbraw/zinc/15/54/75/243155475.db2.gz CRPXXZCPYMEYSJ-KGLIPLIRSA-N 1 2 337.445 0.942 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2cccnc2)CC1 ZINC000265047824 247159960 /nfs/dbraw/zinc/15/99/60/247159960.db2.gz RHIOTICFNICJNC-VOTSOKGWSA-N 1 2 326.400 0.379 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2cccnc2)CC1 ZINC000265047824 247159962 /nfs/dbraw/zinc/15/99/62/247159962.db2.gz RHIOTICFNICJNC-VOTSOKGWSA-N 1 2 326.400 0.379 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2c(F)cccc2OC)CC1 ZINC000266131303 248118932 /nfs/dbraw/zinc/11/89/32/248118932.db2.gz OOEOZPKIHXQRJH-UHFFFAOYSA-N 1 2 347.390 0.732 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c(F)cccc2OC)CC1 ZINC000266131303 248118936 /nfs/dbraw/zinc/11/89/36/248118936.db2.gz OOEOZPKIHXQRJH-UHFFFAOYSA-N 1 2 347.390 0.732 20 30 ECEDLO CN1C[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1=O ZINC000267498158 251110105 /nfs/dbraw/zinc/11/01/05/251110105.db2.gz LZJCCLQSNRSFBT-MRXNPFEDSA-N 1 2 341.415 0.616 20 30 ECEDLO COCC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528354967 269723359 /nfs/dbraw/zinc/72/33/59/269723359.db2.gz LYKKPECHDVCUGF-HNNXBMFYSA-N 1 2 333.388 0.089 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000336923732 285051003 /nfs/dbraw/zinc/05/10/03/285051003.db2.gz UZIIFWANKYIOOG-CABCVRRESA-N 1 2 346.497 0.659 20 30 ECEDLO COCC(COC)[NH+]1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000412434262 208237189 /nfs/dbraw/zinc/23/71/89/208237189.db2.gz GXGPHXYYARFWFF-UHFFFAOYSA-N 1 2 333.388 0.683 20 30 ECEDLO N#CCC1(CS(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000329628878 254612832 /nfs/dbraw/zinc/61/28/32/254612832.db2.gz VXSWTAWTGGCWCJ-AWEZNQCLSA-N 1 2 327.450 0.664 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1COC(=O)NC(C)C ZINC000495688817 255033095 /nfs/dbraw/zinc/03/30/95/255033095.db2.gz QFVPEJARBIDACQ-ZDUSSCGKSA-N 1 2 340.424 0.987 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1COC(=O)NC(C)C ZINC000495688817 255033097 /nfs/dbraw/zinc/03/30/97/255033097.db2.gz QFVPEJARBIDACQ-ZDUSSCGKSA-N 1 2 340.424 0.987 20 30 ECEDLO C#CCCS(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495895827 255053889 /nfs/dbraw/zinc/05/38/89/255053889.db2.gz URDNPMYXLWWEMU-ZDUSSCGKSA-N 1 2 345.465 0.480 20 30 ECEDLO C#CCCS(=O)(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495895827 255053891 /nfs/dbraw/zinc/05/38/91/255053891.db2.gz URDNPMYXLWWEMU-ZDUSSCGKSA-N 1 2 345.465 0.480 20 30 ECEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000270790421 263272342 /nfs/dbraw/zinc/27/23/42/263272342.db2.gz AQHIJYAPLMMNRE-CYBMUJFWSA-N 1 2 330.388 0.264 20 30 ECEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000270790421 263272345 /nfs/dbraw/zinc/27/23/45/263272345.db2.gz AQHIJYAPLMMNRE-CYBMUJFWSA-N 1 2 330.388 0.264 20 30 ECEDLO N#Cc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c(Cl)c1 ZINC000273539969 263414042 /nfs/dbraw/zinc/41/40/42/263414042.db2.gz SYGBHVPUVUJYMI-UHFFFAOYSA-N 1 2 336.779 0.287 20 30 ECEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000283814942 264155400 /nfs/dbraw/zinc/15/54/00/264155400.db2.gz JMQRTKFTXINHFR-ZDUSSCGKSA-N 1 2 325.372 0.918 20 30 ECEDLO Cc1nc(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)ccc1C#N ZINC000284885024 264251800 /nfs/dbraw/zinc/25/18/00/264251800.db2.gz QUJVMRSJBOEWEB-MLGOLLRUSA-N 1 2 338.371 0.745 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000247333407 270005505 /nfs/dbraw/zinc/00/55/05/270005505.db2.gz NCFAHUAYTDPCGI-CQSZACIVSA-N 1 2 341.419 0.621 20 30 ECEDLO CCN(CCC#N)C(=O)C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000247333407 270005506 /nfs/dbraw/zinc/00/55/06/270005506.db2.gz NCFAHUAYTDPCGI-CQSZACIVSA-N 1 2 341.419 0.621 20 30 ECEDLO CCN1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)C[C@H]1c1[nH]cc[nH+]1 ZINC000337010112 266149786 /nfs/dbraw/zinc/14/97/86/266149786.db2.gz LEWAVCMDFINYBM-RYUDHWBXSA-N 1 2 328.380 0.339 20 30 ECEDLO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2cccnc2C#N)C[C@H](C)O1 ZINC000276978831 267051235 /nfs/dbraw/zinc/05/12/35/267051235.db2.gz GTSAJJIFSPVCPQ-BETUJISGSA-N 1 2 338.433 0.731 20 30 ECEDLO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2cccnc2C#N)C[C@H](C)O1 ZINC000276978831 267051237 /nfs/dbraw/zinc/05/12/37/267051237.db2.gz GTSAJJIFSPVCPQ-BETUJISGSA-N 1 2 338.433 0.731 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2cncc(C#N)c2)CC[N@@H+]1CC(C)(C)O ZINC000289479722 267059420 /nfs/dbraw/zinc/05/94/20/267059420.db2.gz NXVIBAVIYGARNW-GFCCVEGCSA-N 1 2 338.433 0.419 20 30 ECEDLO C[C@@H]1CN(S(=O)(=O)c2cncc(C#N)c2)CC[N@H+]1CC(C)(C)O ZINC000289479722 267059422 /nfs/dbraw/zinc/05/94/22/267059422.db2.gz NXVIBAVIYGARNW-GFCCVEGCSA-N 1 2 338.433 0.419 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000331867133 267065087 /nfs/dbraw/zinc/06/50/87/267065087.db2.gz LVLZLVQJFROPFC-GFCCVEGCSA-N 1 2 325.376 0.741 20 30 ECEDLO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000331867133 267065088 /nfs/dbraw/zinc/06/50/88/267065088.db2.gz LVLZLVQJFROPFC-GFCCVEGCSA-N 1 2 325.376 0.741 20 30 ECEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccc(C#N)nn2)CC1 ZINC000302005874 267131233 /nfs/dbraw/zinc/13/12/33/267131233.db2.gz SZTWUSILFJOTJP-CYBMUJFWSA-N 1 2 328.420 0.918 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)C[C@@H]1C ZINC000288460975 267191188 /nfs/dbraw/zinc/19/11/88/267191188.db2.gz VYJLCFJZCHCABM-KBPBESRZSA-N 1 2 337.445 0.775 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)C[C@@H]1C ZINC000288460975 267191190 /nfs/dbraw/zinc/19/11/90/267191190.db2.gz VYJLCFJZCHCABM-KBPBESRZSA-N 1 2 337.445 0.775 20 30 ECEDLO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343992400 267222050 /nfs/dbraw/zinc/22/20/50/267222050.db2.gz VCJBSQTWFVMCNU-AAEUAGOBSA-N 1 2 336.417 0.313 20 30 ECEDLO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343992400 267222053 /nfs/dbraw/zinc/22/20/53/267222053.db2.gz VCJBSQTWFVMCNU-AAEUAGOBSA-N 1 2 336.417 0.313 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cccc(C#N)c1 ZINC000529755689 267332002 /nfs/dbraw/zinc/33/20/02/267332002.db2.gz UMKQUZZPAMKZTB-GOSISDBHSA-N 1 2 329.400 0.904 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cccc(C#N)c1 ZINC000529755689 267332004 /nfs/dbraw/zinc/33/20/04/267332004.db2.gz UMKQUZZPAMKZTB-GOSISDBHSA-N 1 2 329.400 0.904 20 30 ECEDLO Cc1cc(N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c(C#N)c[nH+]1 ZINC000333504944 267339966 /nfs/dbraw/zinc/33/99/66/267339966.db2.gz SNPDUUADDHJVTN-UHFFFAOYSA-N 1 2 332.389 0.496 20 30 ECEDLO N#Cc1ccc(C(=O)NCC(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)cc1 ZINC000374372479 268030377 /nfs/dbraw/zinc/03/03/77/268030377.db2.gz PCERHEBRVDEXIW-QGZVFWFLSA-N 1 2 349.394 0.856 20 30 ECEDLO N#Cc1ccc(N[C@@H]2CCCN(CC[NH+]3CCOCC3)C2=O)cn1 ZINC000360438539 268162800 /nfs/dbraw/zinc/16/28/00/268162800.db2.gz YAFPCJSMYPQZGC-MRXNPFEDSA-N 1 2 329.404 0.688 20 30 ECEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@H](C(=O)C3CC3)C2)cc1 ZINC000360970289 268179011 /nfs/dbraw/zinc/17/90/11/268179011.db2.gz ZDQCFERHNNQARD-WBVHZDCISA-N 1 2 330.384 0.978 20 30 ECEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@H](C(=O)C3CC3)C2)cc1 ZINC000360970289 268179014 /nfs/dbraw/zinc/17/90/14/268179014.db2.gz ZDQCFERHNNQARD-WBVHZDCISA-N 1 2 330.384 0.978 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)o1 ZINC000376267629 268192610 /nfs/dbraw/zinc/19/26/10/268192610.db2.gz WZHKFSZQHNJPBC-CYBMUJFWSA-N 1 2 339.417 0.884 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cn1 ZINC000378600065 268194022 /nfs/dbraw/zinc/19/40/22/268194022.db2.gz PDCVHILCENAWQO-HUUCEWRRSA-N 1 2 336.417 0.173 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)s1 ZINC000373826543 268194091 /nfs/dbraw/zinc/19/40/91/268194091.db2.gz XYFQVXRXRBDJII-CHWSQXEVSA-N 1 2 341.458 0.839 20 30 ECEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)cc1 ZINC000339420727 268212151 /nfs/dbraw/zinc/21/21/51/268212151.db2.gz XGIHACMYKIYXAO-JKSUJKDBSA-N 1 2 340.387 0.506 20 30 ECEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)cc1 ZINC000339420727 268212153 /nfs/dbraw/zinc/21/21/53/268212153.db2.gz XGIHACMYKIYXAO-JKSUJKDBSA-N 1 2 340.387 0.506 20 30 ECEDLO N#Cc1ccc([C@H](O)CN2CC[NH+]([C@@H]3CCCCNC3=O)CC2)cc1 ZINC000372006539 268214662 /nfs/dbraw/zinc/21/46/62/268214662.db2.gz LLOMEABXZCIPPT-QZTJIDSGSA-N 1 2 342.443 0.878 20 30 ECEDLO N#Cc1ccc([C@H](O)C[NH+]2CCN([C@@H]3CCCCNC3=O)CC2)cc1 ZINC000372006539 268214664 /nfs/dbraw/zinc/21/46/64/268214664.db2.gz LLOMEABXZCIPPT-QZTJIDSGSA-N 1 2 342.443 0.878 20 30 ECEDLO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2nccnn2)CC1 ZINC000528585736 268295706 /nfs/dbraw/zinc/29/57/06/268295706.db2.gz YGPPBIHAPSZSLM-HNNXBMFYSA-N 1 2 340.387 0.305 20 30 ECEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368336864 268317132 /nfs/dbraw/zinc/31/71/32/268317132.db2.gz RASCEGHJHIFWGI-ZSHCYNCHSA-N 1 2 337.383 0.853 20 30 ECEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368336864 268317135 /nfs/dbraw/zinc/31/71/35/268317135.db2.gz RASCEGHJHIFWGI-ZSHCYNCHSA-N 1 2 337.383 0.853 20 30 ECEDLO CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])N1C[C@H]3OCC[N@H+](C)[C@H]3C1)CC2 ZINC000329684853 278110054 /nfs/dbraw/zinc/11/00/54/278110054.db2.gz YGBIRGPZPUWQTK-HZSPNIEDSA-N 1 2 348.451 0.645 20 30 ECEDLO CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])N1C[C@H]3OCC[N@@H+](C)[C@H]3C1)CC2 ZINC000329684853 278110056 /nfs/dbraw/zinc/11/00/56/278110056.db2.gz YGBIRGPZPUWQTK-HZSPNIEDSA-N 1 2 348.451 0.645 20 30 ECEDLO CC(C)c1nnc2n1C[C@H](NC(=O)N1C[C@H]3OCC[N@H+](C)[C@H]3C1)CC2 ZINC000329684853 278110057 /nfs/dbraw/zinc/11/00/57/278110057.db2.gz YGBIRGPZPUWQTK-HZSPNIEDSA-N 1 2 348.451 0.645 20 30 ECEDLO CC(C)c1nnc2n1C[C@H](NC(=O)N1C[C@H]3OCC[N@@H+](C)[C@H]3C1)CC2 ZINC000329684853 278110059 /nfs/dbraw/zinc/11/00/59/278110059.db2.gz YGBIRGPZPUWQTK-HZSPNIEDSA-N 1 2 348.451 0.645 20 30 ECEDLO CN(C)C(=O)c1cc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)ccn1 ZINC000329668190 282001018 /nfs/dbraw/zinc/00/10/18/282001018.db2.gz QWCNYKLCQGZPAM-CQSZACIVSA-N 1 2 347.419 0.735 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330783848 437614146 /nfs/dbraw/zinc/61/41/46/437614146.db2.gz JABFFINACWLCQD-PBHICJAKSA-N 1 2 332.452 0.970 20 30 ECEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000340228177 437614160 /nfs/dbraw/zinc/61/41/60/437614160.db2.gz JDWJJGNXNCNGSE-DZGCQCFKSA-N 1 2 346.431 0.861 20 30 ECEDLO C[C@H](CS(C)(=O)=O)NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000330804203 437619629 /nfs/dbraw/zinc/61/96/29/437619629.db2.gz BLBWSICGADEUFX-CYBMUJFWSA-N 1 2 347.481 0.378 20 30 ECEDLO NC(=O)c1cccnc1N1CC[NH+](CC(=O)NC2CCOCC2)CC1 ZINC000328859159 295191653 /nfs/dbraw/zinc/19/16/53/295191653.db2.gz ACNXOXSKYHIANH-UHFFFAOYSA-N 1 2 347.419 0.438 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCN2C(=O)N(C)C[C@@H]2C1 ZINC000373242906 298135693 /nfs/dbraw/zinc/13/56/93/298135693.db2.gz MLLWSLIFCXHFAJ-ZIAGYGMSSA-N 1 2 333.436 0.769 20 30 ECEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCN2C(=O)N(C)C[C@@H]2C1 ZINC000373242906 298135695 /nfs/dbraw/zinc/13/56/95/298135695.db2.gz MLLWSLIFCXHFAJ-ZIAGYGMSSA-N 1 2 333.436 0.769 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000337788205 298273519 /nfs/dbraw/zinc/27/35/19/298273519.db2.gz YYAWMKOZAODWOJ-CYBMUJFWSA-N 1 2 332.470 0.508 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000337788205 298273523 /nfs/dbraw/zinc/27/35/23/298273523.db2.gz YYAWMKOZAODWOJ-CYBMUJFWSA-N 1 2 332.470 0.508 20 30 ECEDLO C[N@H+](CC(=O)N1CCOCC1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000073868409 436098312 /nfs/dbraw/zinc/09/83/12/436098312.db2.gz NPHQLCQBRPHGKB-MRXNPFEDSA-N 1 2 342.399 0.454 20 30 ECEDLO C[N@@H+](CC(=O)N1CCOCC1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000073868409 436098316 /nfs/dbraw/zinc/09/83/16/436098316.db2.gz NPHQLCQBRPHGKB-MRXNPFEDSA-N 1 2 342.399 0.454 20 30 ECEDLO CC(C)(CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[NH+]1CCOCC1 ZINC000077538017 436243456 /nfs/dbraw/zinc/24/34/56/436243456.db2.gz MDHIWOYGCQQGHO-UHFFFAOYSA-N 1 2 348.378 0.863 20 30 ECEDLO CN(C)C(=O)C[NH+]1CCN(CC(=O)Nc2sccc2C#N)CC1 ZINC000032543032 436239029 /nfs/dbraw/zinc/23/90/29/436239029.db2.gz UJPQNVWNHCZMTC-UHFFFAOYSA-N 1 2 335.433 0.264 20 30 ECEDLO C#CC[NH+](CC#C)CC(=O)NCc1ccccc1CN1CCCC1=O ZINC000076186001 436194823 /nfs/dbraw/zinc/19/48/23/436194823.db2.gz GOLQNCMCXXKNQW-UHFFFAOYSA-N 1 2 337.423 0.994 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000076398021 436203891 /nfs/dbraw/zinc/20/38/91/436203891.db2.gz OHWQLBPQXHWQCE-LLVKDONJSA-N 1 2 336.358 0.957 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000076398021 436203896 /nfs/dbraw/zinc/20/38/96/436203896.db2.gz OHWQLBPQXHWQCE-LLVKDONJSA-N 1 2 336.358 0.957 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000076969208 436221567 /nfs/dbraw/zinc/22/15/67/436221567.db2.gz LSTYQCNQVSCDAW-OAHLLOKOSA-N 1 2 343.431 0.990 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000076969208 436221572 /nfs/dbraw/zinc/22/15/72/436221572.db2.gz LSTYQCNQVSCDAW-OAHLLOKOSA-N 1 2 343.431 0.990 20 30 ECEDLO CC(=O)N1CC[NH+](CCNC(=O)[C@H](C)Oc2ccccc2C#N)CC1 ZINC000077180100 436227288 /nfs/dbraw/zinc/22/72/88/436227288.db2.gz XMTUDQYYTXJUKA-AWEZNQCLSA-N 1 2 344.415 0.606 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CSCC#N)CC1 ZINC000042027852 436293961 /nfs/dbraw/zinc/29/39/61/436293961.db2.gz RYZKZSXSSUVKHP-UHFFFAOYSA-N 1 2 331.405 0.269 20 30 ECEDLO CN(Cc1ccco1)C(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000078687274 436274644 /nfs/dbraw/zinc/27/46/44/436274644.db2.gz NDPXSMQXJAUNHI-UHFFFAOYSA-N 1 2 334.420 0.786 20 30 ECEDLO CN(C)C(=O)CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000043715471 436334242 /nfs/dbraw/zinc/33/42/42/436334242.db2.gz ORECZVNCUIJZIG-UHFFFAOYSA-N 1 2 329.404 0.474 20 30 ECEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2ccc(C#N)cn2)CC1 ZINC000088212515 436399636 /nfs/dbraw/zinc/39/96/36/436399636.db2.gz HHPPIMHZYKVVIH-CQSZACIVSA-N 1 2 341.415 0.722 20 30 ECEDLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000091671149 436456406 /nfs/dbraw/zinc/45/64/06/436456406.db2.gz BSTZSXRGKNSOCQ-CQSZACIVSA-N 1 2 329.404 0.323 20 30 ECEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(CS(N)(=O)=O)CC2)c1 ZINC000089992837 436425461 /nfs/dbraw/zinc/42/54/61/436425461.db2.gz VIVFXHOWEUDEET-UHFFFAOYSA-N 1 2 336.417 0.497 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(c2snc(Cl)c2C#N)CC1 ZINC000092654192 436473064 /nfs/dbraw/zinc/47/30/64/436473064.db2.gz RDOZGIHMGBJXER-UHFFFAOYSA-N 1 2 337.836 0.930 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2snc(Cl)c2C#N)CC1 ZINC000092654192 436473068 /nfs/dbraw/zinc/47/30/68/436473068.db2.gz RDOZGIHMGBJXER-UHFFFAOYSA-N 1 2 337.836 0.930 20 30 ECEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2cnc(C#N)cn2)CC1 ZINC000106464157 436597097 /nfs/dbraw/zinc/59/70/97/436597097.db2.gz VSJLLUHSMNGCQY-AWEZNQCLSA-N 1 2 328.420 0.871 20 30 ECEDLO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC(C#N)CC1 ZINC000057907386 436618337 /nfs/dbraw/zinc/61/83/37/436618337.db2.gz IYKGVAQYPYIUDJ-NSHDSACASA-N 1 2 336.417 0.897 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060481707 436633814 /nfs/dbraw/zinc/63/38/14/436633814.db2.gz DZMCJRDVSQZMCC-UHFFFAOYSA-N 1 2 328.376 0.087 20 30 ECEDLO NC(CN1CCOCC1)=[NH+]OCC(=O)NCc1ccc(Cl)cc1 ZINC000111181809 436629590 /nfs/dbraw/zinc/62/95/90/436629590.db2.gz NZWYZMCQSDSUOT-UHFFFAOYSA-N 1 2 340.811 0.577 20 30 ECEDLO Cc1c[nH+]ccc1NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000555028341 302430143 /nfs/dbraw/zinc/43/01/43/302430143.db2.gz HHPZKLYLULNWNW-UHFFFAOYSA-N 1 2 330.369 0.601 20 30 ECEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC000555021684 302430437 /nfs/dbraw/zinc/43/04/37/302430437.db2.gz OBQHAWWILUNUAV-HUUCEWRRSA-N 1 2 342.447 0.975 20 30 ECEDLO C=CCNC(=O)CNC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000272232507 436710427 /nfs/dbraw/zinc/71/04/27/436710427.db2.gz MGJGJLSJQPZMFX-KRWDZBQOSA-N 1 2 331.416 0.603 20 30 ECEDLO C=CCNC(=O)CNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000272232510 436710640 /nfs/dbraw/zinc/71/06/40/436710640.db2.gz MGJGJLSJQPZMFX-QGZVFWFLSA-N 1 2 331.416 0.603 20 30 ECEDLO O=C(C#Cc1ccc2c(c1)OCO2)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000119054966 436663133 /nfs/dbraw/zinc/66/31/33/436663133.db2.gz SUTJMIPJBYRDNL-HNNXBMFYSA-N 1 2 328.368 0.746 20 30 ECEDLO O=C(C#Cc1ccc2c(c1)OCO2)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000119054966 436663134 /nfs/dbraw/zinc/66/31/34/436663134.db2.gz SUTJMIPJBYRDNL-HNNXBMFYSA-N 1 2 328.368 0.746 20 30 ECEDLO C#CCN(CC#C)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000119206283 436665240 /nfs/dbraw/zinc/66/52/40/436665240.db2.gz PVKJDNNLMOQYID-UHFFFAOYSA-N 1 2 338.411 0.605 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)COc2ccccc2)CC1 ZINC000140635096 436668835 /nfs/dbraw/zinc/66/88/35/436668835.db2.gz ZSDPNMDAYWVPID-MRXNPFEDSA-N 1 2 343.427 0.738 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)COc2ccccc2)CC1 ZINC000140635096 436668839 /nfs/dbraw/zinc/66/88/39/436668839.db2.gz ZSDPNMDAYWVPID-MRXNPFEDSA-N 1 2 343.427 0.738 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+](CCCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000272656512 436720780 /nfs/dbraw/zinc/72/07/80/436720780.db2.gz GGULCUQVJYJTDT-OAHLLOKOSA-N 1 2 344.477 0.713 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+](CCCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000272656512 436720782 /nfs/dbraw/zinc/72/07/82/436720782.db2.gz GGULCUQVJYJTDT-OAHLLOKOSA-N 1 2 344.477 0.713 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(Cc2cscn2)CC1 ZINC000068333776 436741751 /nfs/dbraw/zinc/74/17/51/436741751.db2.gz SDFSIIFVPBJJBB-LBPRGKRZSA-N 1 2 337.449 0.661 20 30 ECEDLO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000152811341 436741928 /nfs/dbraw/zinc/74/19/28/436741928.db2.gz ZLMAFXYZRPHMBV-RDJZCZTQSA-N 1 2 348.443 0.680 20 30 ECEDLO COCC[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000248280271 436800115 /nfs/dbraw/zinc/80/01/15/436800115.db2.gz UYKWMRFQKDTQNA-JKSUJKDBSA-N 1 2 338.429 0.727 20 30 ECEDLO COCC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000248280271 436800118 /nfs/dbraw/zinc/80/01/18/436800118.db2.gz UYKWMRFQKDTQNA-JKSUJKDBSA-N 1 2 338.429 0.727 20 30 ECEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](O)C[C@H]2CO)c1C ZINC000248393785 436802588 /nfs/dbraw/zinc/80/25/88/436802588.db2.gz MFWXOHWPKQAFHP-JKSUJKDBSA-N 1 2 331.416 0.978 20 30 ECEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](O)C[C@H]2CO)c1C ZINC000248393785 436802590 /nfs/dbraw/zinc/80/25/90/436802590.db2.gz MFWXOHWPKQAFHP-JKSUJKDBSA-N 1 2 331.416 0.978 20 30 ECEDLO C#CC[N@@H+](CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1)C1CCCC1 ZINC000155864207 436805300 /nfs/dbraw/zinc/80/53/00/436805300.db2.gz RYKWMTOTQSODCQ-HNNXBMFYSA-N 1 2 326.462 0.900 20 30 ECEDLO C#CC[N@H+](CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1)C1CCCC1 ZINC000155864207 436805303 /nfs/dbraw/zinc/80/53/03/436805303.db2.gz RYKWMTOTQSODCQ-HNNXBMFYSA-N 1 2 326.462 0.900 20 30 ECEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000158090719 436838802 /nfs/dbraw/zinc/83/88/02/436838802.db2.gz PCTYNLDGSBNQJH-BBRMVZONSA-N 1 2 346.431 0.631 20 30 ECEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000158090719 436838809 /nfs/dbraw/zinc/83/88/09/436838809.db2.gz PCTYNLDGSBNQJH-BBRMVZONSA-N 1 2 346.431 0.631 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000279961756 436854081 /nfs/dbraw/zinc/85/40/81/436854081.db2.gz YJCSOQLCRXOZSH-QCQGSNGOSA-N 1 2 325.409 0.655 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000279961756 436854085 /nfs/dbraw/zinc/85/40/85/436854085.db2.gz YJCSOQLCRXOZSH-QCQGSNGOSA-N 1 2 325.409 0.655 20 30 ECEDLO CC#CC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000293304759 436864671 /nfs/dbraw/zinc/86/46/71/436864671.db2.gz WRJORGPLNGXJJE-UHFFFAOYSA-N 1 2 349.456 0.475 20 30 ECEDLO CC#CC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000293304759 436864674 /nfs/dbraw/zinc/86/46/74/436864674.db2.gz WRJORGPLNGXJJE-UHFFFAOYSA-N 1 2 349.456 0.475 20 30 ECEDLO C[C@H](CNS(=O)(=O)Cc1cccc(C#N)c1)C[NH+]1CCOCC1 ZINC000160393303 436870924 /nfs/dbraw/zinc/87/09/24/436870924.db2.gz VBCLSDTYBMHQHR-CQSZACIVSA-N 1 2 337.445 0.946 20 30 ECEDLO CN(C)C(=O)C[N@@H+]1CCCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000133071277 436872283 /nfs/dbraw/zinc/87/22/83/436872283.db2.gz LGZKKRODCIDHHU-UHFFFAOYSA-N 1 2 332.364 0.462 20 30 ECEDLO CN(C)C(=O)C[N@H+]1CCCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000133071277 436872286 /nfs/dbraw/zinc/87/22/86/436872286.db2.gz LGZKKRODCIDHHU-UHFFFAOYSA-N 1 2 332.364 0.462 20 30 ECEDLO C#CCNC(=O)CC[NH+]1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000293402307 436873573 /nfs/dbraw/zinc/87/35/73/436873573.db2.gz HRPOHJIHPLPPDX-UHFFFAOYSA-N 1 2 349.456 0.274 20 30 ECEDLO C[C@H](CNS(=O)(=O)c1ccc(F)cc1C#N)C[NH+]1CCOCC1 ZINC000157845539 436834611 /nfs/dbraw/zinc/83/46/11/436834611.db2.gz KKDWKGJLCBKVOK-GFCCVEGCSA-N 1 2 341.408 0.944 20 30 ECEDLO N#Cc1ccc(CNC(=O)N(CCO)CC[NH+]2CCOCC2)cc1 ZINC000163299760 436921379 /nfs/dbraw/zinc/92/13/79/436921379.db2.gz LIJQXPLDBQBFLI-UHFFFAOYSA-N 1 2 332.404 0.394 20 30 ECEDLO CCn1c2nnc(CO[NH+]=C(N)CCO)n2c2ccccc2c1=O ZINC000136069148 436927148 /nfs/dbraw/zinc/92/71/48/436927148.db2.gz KNYXYAXHGSJIHA-UHFFFAOYSA-N 1 2 330.348 0.235 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1=O ZINC000281439230 436969745 /nfs/dbraw/zinc/96/97/45/436969745.db2.gz TVXZTWDCFGKCIL-IUODEOHRSA-N 1 2 344.415 0.831 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1=O ZINC000281439230 436969749 /nfs/dbraw/zinc/96/97/49/436969749.db2.gz TVXZTWDCFGKCIL-IUODEOHRSA-N 1 2 344.415 0.831 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN(Cc3nc(COC)no3)CC2)C1=O ZINC000281471754 436972444 /nfs/dbraw/zinc/97/24/44/436972444.db2.gz VZUOYGUYSVEQFI-CYBMUJFWSA-N 1 2 335.408 0.121 20 30 ECEDLO C#C[C@@H](NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C(C)C ZINC000294082955 436933955 /nfs/dbraw/zinc/93/39/55/436933955.db2.gz BBHSWQIMBDCFJN-CQSZACIVSA-N 1 2 341.419 0.853 20 30 ECEDLO C#CCOc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000275288923 436950472 /nfs/dbraw/zinc/95/04/72/436950472.db2.gz LGSJZGLHJGJQMZ-AWEZNQCLSA-N 1 2 345.399 0.162 20 30 ECEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 ZINC000264084717 437017059 /nfs/dbraw/zinc/01/70/59/437017059.db2.gz DUFKYXWMDLMUMU-UHFFFAOYSA-N 1 2 342.399 0.512 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC(=C)C)CC1 ZINC000283456146 437029066 /nfs/dbraw/zinc/02/90/66/437029066.db2.gz ZUVOHVXPINPSPL-UHFFFAOYSA-N 1 2 330.436 0.748 20 30 ECEDLO C[C@H]1CN(c2ccc(CNC(=O)N3CCO[C@H](C#N)C3)c[nH+]2)CCO1 ZINC000264430340 437029168 /nfs/dbraw/zinc/02/91/68/437029168.db2.gz WZIDHQCSXVHXEF-DZGCQCFKSA-N 1 2 345.403 0.741 20 30 ECEDLO NC(CN1CCOCC1)=[NH+]OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283765221 437032381 /nfs/dbraw/zinc/03/23/81/437032381.db2.gz BKSSEGAPMWRXMG-UHFFFAOYSA-N 1 2 339.308 0.624 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)C1=O ZINC000281963996 437009358 /nfs/dbraw/zinc/00/93/58/437009358.db2.gz KPQINHHLOLGQDR-AWEZNQCLSA-N 1 2 329.404 0.089 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C3CC3)no2)CC1 ZINC000282476012 437013280 /nfs/dbraw/zinc/01/32/80/437013280.db2.gz SBPMIJZQEHOQQW-UHFFFAOYSA-N 1 2 330.388 0.449 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C3CC3)no2)CC1 ZINC000282476012 437013281 /nfs/dbraw/zinc/01/32/81/437013281.db2.gz SBPMIJZQEHOQQW-UHFFFAOYSA-N 1 2 330.388 0.449 20 30 ECEDLO COCC[NH+]1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000284176619 437050585 /nfs/dbraw/zinc/05/05/85/437050585.db2.gz ZEWWFOMCHPRMOY-AWEZNQCLSA-N 1 2 344.415 0.526 20 30 ECEDLO COCCNC(=O)CN1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000298998564 437057787 /nfs/dbraw/zinc/05/77/87/437057787.db2.gz AECAGVCXYHHJHU-UHFFFAOYSA-N 1 2 346.431 0.317 20 30 ECEDLO CC(C)(C)NC(=O)NC(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000299036362 437058023 /nfs/dbraw/zinc/05/80/23/437058023.db2.gz IVKMVOYNHRRJNZ-UHFFFAOYSA-N 1 2 344.419 0.700 20 30 ECEDLO CC(=O)N1CC(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000276296431 437085477 /nfs/dbraw/zinc/08/54/77/437085477.db2.gz NLLIYGFVAYTEEH-UHFFFAOYSA-N 1 2 326.400 0.681 20 30 ECEDLO CC(=O)N1CC[NH+](CCNC(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000264775960 437082080 /nfs/dbraw/zinc/08/20/80/437082080.db2.gz PYAZKWDKBNRMLP-UHFFFAOYSA-N 1 2 344.415 0.412 20 30 ECEDLO Cc1onc(CC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)c1C#N ZINC000331755812 437155656 /nfs/dbraw/zinc/15/56/56/437155656.db2.gz BWRZAKHYCWMKTI-AWEZNQCLSA-N 1 2 328.376 0.646 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000331516617 437113023 /nfs/dbraw/zinc/11/30/23/437113023.db2.gz CERKTJGXDIEMOX-XFBWCDHKSA-N 1 2 335.408 0.103 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000331516617 437113026 /nfs/dbraw/zinc/11/30/26/437113026.db2.gz CERKTJGXDIEMOX-XFBWCDHKSA-N 1 2 335.408 0.103 20 30 ECEDLO C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)[C@@H](C)[NH+]1CCOCC1 ZINC000175979673 437124996 /nfs/dbraw/zinc/12/49/96/437124996.db2.gz AUMOVGCYMYOIIA-VXGBXAGGSA-N 1 2 348.378 0.861 20 30 ECEDLO N#CCC[N@@H+](CC(=O)N1CCN(c2cnccn2)CC1)CC1CC1 ZINC000176252273 437137170 /nfs/dbraw/zinc/13/71/70/437137170.db2.gz JRGDWSIPTKWQDQ-UHFFFAOYSA-N 1 2 328.420 0.751 20 30 ECEDLO N#CCC[N@H+](CC(=O)N1CCN(c2cnccn2)CC1)CC1CC1 ZINC000176252273 437137175 /nfs/dbraw/zinc/13/71/75/437137175.db2.gz JRGDWSIPTKWQDQ-UHFFFAOYSA-N 1 2 328.420 0.751 20 30 ECEDLO C#CC[N@@H+](C)CC(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O ZINC000277010821 437186035 /nfs/dbraw/zinc/18/60/35/437186035.db2.gz PMOQDGNZTHFQHV-KRWDZBQOSA-N 1 2 344.371 0.058 20 30 ECEDLO C#CC[N@H+](C)CC(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O ZINC000277010821 437186039 /nfs/dbraw/zinc/18/60/39/437186039.db2.gz PMOQDGNZTHFQHV-KRWDZBQOSA-N 1 2 344.371 0.058 20 30 ECEDLO C=CCCCCC[N@@H+](C)CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000265796625 437192469 /nfs/dbraw/zinc/19/24/69/437192469.db2.gz HKLHZCJYGYATOI-ZDUSSCGKSA-N 1 2 345.465 0.678 20 30 ECEDLO C=CCCCCC[N@H+](C)CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000265796625 437192472 /nfs/dbraw/zinc/19/24/72/437192472.db2.gz HKLHZCJYGYATOI-ZDUSSCGKSA-N 1 2 345.465 0.678 20 30 ECEDLO CC[C@H]1CN(S(=O)(=O)c2cccnc2C#N)CC[N@@H+]1C[C@@H](C)O ZINC000277125528 437196227 /nfs/dbraw/zinc/19/62/27/437196227.db2.gz ZRHACHRZBSQEJC-OLZOCXBDSA-N 1 2 338.433 0.419 20 30 ECEDLO CC[C@H]1CN(S(=O)(=O)c2cccnc2C#N)CC[N@H+]1C[C@@H](C)O ZINC000277125528 437196230 /nfs/dbraw/zinc/19/62/30/437196230.db2.gz ZRHACHRZBSQEJC-OLZOCXBDSA-N 1 2 338.433 0.419 20 30 ECEDLO CN(CCC#N)S(=O)(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000332165959 437207672 /nfs/dbraw/zinc/20/76/72/437207672.db2.gz SCPHTSYMZOHXGR-CQSZACIVSA-N 1 2 330.454 0.119 20 30 ECEDLO CN(CCC#N)S(=O)(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000332165959 437207673 /nfs/dbraw/zinc/20/76/73/437207673.db2.gz SCPHTSYMZOHXGR-CQSZACIVSA-N 1 2 330.454 0.119 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000178223864 437209712 /nfs/dbraw/zinc/20/97/12/437209712.db2.gz SHPUEWSAYRLAIQ-UHFFFAOYSA-N 1 2 331.376 0.560 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000178223864 437209716 /nfs/dbraw/zinc/20/97/16/437209716.db2.gz SHPUEWSAYRLAIQ-UHFFFAOYSA-N 1 2 331.376 0.560 20 30 ECEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c1 ZINC000177007275 437166950 /nfs/dbraw/zinc/16/69/50/437166950.db2.gz RMKNTSHAQJSVNO-AWEZNQCLSA-N 1 2 339.355 0.777 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC(N2CCNC2=O)CC1 ZINC000328805900 437266541 /nfs/dbraw/zinc/26/65/41/437266541.db2.gz HUFIODCOAXLWCT-ZDUSSCGKSA-N 1 2 339.440 0.315 20 30 ECEDLO CS(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000323805347 437225256 /nfs/dbraw/zinc/22/52/56/437225256.db2.gz HQZKGXKDGXYBQN-LSDHHAIUSA-N 1 2 338.429 0.807 20 30 ECEDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000323805347 437225260 /nfs/dbraw/zinc/22/52/60/437225260.db2.gz HQZKGXKDGXYBQN-LSDHHAIUSA-N 1 2 338.429 0.807 20 30 ECEDLO O=C(NC[C@H]1CCCS1(=O)=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328609952 437240310 /nfs/dbraw/zinc/24/03/10/437240310.db2.gz NGVIRVGKQSTLLK-NWDGAFQWSA-N 1 2 326.422 0.841 20 30 ECEDLO C[S@@](=O)C1(CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000328677797 437250660 /nfs/dbraw/zinc/25/06/60/437250660.db2.gz SKLUGZBGYMVVFG-LFVRLGFBSA-N 1 2 343.493 0.856 20 30 ECEDLO C[C@@H]1CN(C(=O)Nc2ccn(CCC#N)n2)C[C@H]1[NH+]1CCOCC1 ZINC000333109002 437258851 /nfs/dbraw/zinc/25/88/51/437258851.db2.gz FCHLZUFFVDSTRR-ZIAGYGMSSA-N 1 2 332.408 0.981 20 30 ECEDLO CCOC(=O)C1(O)CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000266897254 437262479 /nfs/dbraw/zinc/26/24/79/437262479.db2.gz FQDXZZOUFZWRCY-UHFFFAOYSA-N 1 2 345.399 0.564 20 30 ECEDLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000336894899 437306618 /nfs/dbraw/zinc/30/66/18/437306618.db2.gz XUCZDOIIVSPQNO-BXUZGUMPSA-N 1 2 342.355 0.949 20 30 ECEDLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000336894899 437306621 /nfs/dbraw/zinc/30/66/21/437306621.db2.gz XUCZDOIIVSPQNO-BXUZGUMPSA-N 1 2 342.355 0.949 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1ccc[nH+]c1N(C)C ZINC000336912596 437309442 /nfs/dbraw/zinc/30/94/42/437309442.db2.gz JLJDNCYHITVGJO-LBPRGKRZSA-N 1 2 325.438 0.964 20 30 ECEDLO N#C[C@H]1CN(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)CCO1 ZINC000336918797 437311427 /nfs/dbraw/zinc/31/14/27/437311427.db2.gz PKBJILUFTMQOPV-AWEZNQCLSA-N 1 2 347.400 0.431 20 30 ECEDLO CN(C)C(=O)c1ccnc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000329067355 437311653 /nfs/dbraw/zinc/31/16/53/437311653.db2.gz WXZBTDYQJDEIOV-QWHCGFSZSA-N 1 2 333.392 0.344 20 30 ECEDLO CN(C)C(=O)c1ccnc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000329067355 437311655 /nfs/dbraw/zinc/31/16/55/437311655.db2.gz WXZBTDYQJDEIOV-QWHCGFSZSA-N 1 2 333.392 0.344 20 30 ECEDLO Cc1noc(C(C)(C)[NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)n1 ZINC000328872581 437276883 /nfs/dbraw/zinc/27/68/83/437276883.db2.gz DWJJHKXZICMUQT-AWEZNQCLSA-N 1 2 348.451 0.895 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CCN(CCn3cc[nH+]c3)CC2)cc1 ZINC000180789223 437300387 /nfs/dbraw/zinc/30/03/87/437300387.db2.gz DWKNQQUAUOPVAY-UHFFFAOYSA-N 1 2 345.428 0.761 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(CC)CC(=O)NC(C)C)C1=O ZINC000337227881 437341559 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/nfs/dbraw/zinc/32/39/15/437323915.db2.gz ABJWJCWCSXEQJL-AWEZNQCLSA-N 1 2 337.399 0.587 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000181603797 437324754 /nfs/dbraw/zinc/32/47/54/437324754.db2.gz OXVIMCOSGXBISX-UONOGXRCSA-N 1 2 331.482 0.765 20 30 ECEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000181603797 437324759 /nfs/dbraw/zinc/32/47/59/437324759.db2.gz OXVIMCOSGXBISX-UONOGXRCSA-N 1 2 331.482 0.765 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000337082612 437328954 /nfs/dbraw/zinc/32/89/54/437328954.db2.gz ZSPISMPAVYVOKZ-CQSZACIVSA-N 1 2 330.454 0.263 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Cc1ccc(OCC#N)cc1 ZINC000267694623 437329712 /nfs/dbraw/zinc/32/97/12/437329712.db2.gz OSBUIFPJKWVQPM-MRXNPFEDSA-N 1 2 347.415 0.283 20 30 ECEDLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(CC(=O)NCC2CC2)CC1 ZINC000329203479 437333215 /nfs/dbraw/zinc/33/32/15/437333215.db2.gz CQPMQXUVGXNMPX-CQSZACIVSA-N 1 2 338.452 0.218 20 30 ECEDLO Cc1noc([C@H]2CCN(C(=O)NCC3([NH+]4CCOCC4)CC3)C2)n1 ZINC000329208413 437335209 /nfs/dbraw/zinc/33/52/09/437335209.db2.gz XXTFCLDDLLWYOF-ZDUSSCGKSA-N 1 2 335.408 0.946 20 30 ECEDLO CN1CC[N@H+](C)[C@H](CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000329236806 437338907 /nfs/dbraw/zinc/33/89/07/437338907.db2.gz ONMJVJOTAQQXQB-GFCCVEGCSA-N 1 2 345.403 0.304 20 30 ECEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)C1 ZINC000329236806 437338911 /nfs/dbraw/zinc/33/89/11/437338911.db2.gz ONMJVJOTAQQXQB-GFCCVEGCSA-N 1 2 345.403 0.304 20 30 ECEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000329730533 437406195 /nfs/dbraw/zinc/40/61/95/437406195.db2.gz POZHITQHCFVXFN-RBSFLKMASA-N 1 2 326.441 0.026 20 30 ECEDLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)N[C@H](C)C(=O)N2CCCCC2)C1 ZINC000329809701 437416615 /nfs/dbraw/zinc/41/66/15/437416615.db2.gz BCFVZOHIDYYTJC-CHWSQXEVSA-N 1 2 339.440 0.552 20 30 ECEDLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)N[C@H](C)C(=O)N2CCCCC2)C1 ZINC000329809701 437416616 /nfs/dbraw/zinc/41/66/16/437416616.db2.gz BCFVZOHIDYYTJC-CHWSQXEVSA-N 1 2 339.440 0.552 20 30 ECEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCS(=O)(=O)CC1)CCC2 ZINC000329848109 437420681 /nfs/dbraw/zinc/42/06/81/437420681.db2.gz YUXCTNRVLINYDS-GFCCVEGCSA-N 1 2 326.422 0.713 20 30 ECEDLO CC[C@@H]1CN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)CC[N@@H+]1C[C@@H](C)O ZINC000329861829 437422537 /nfs/dbraw/zinc/42/25/37/437422537.db2.gz YCPAUNRLDYMJIK-MGPQQGTHSA-N 1 2 347.481 0.255 20 30 ECEDLO CC[C@@H]1CN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)CC[N@H+]1C[C@@H](C)O ZINC000329861829 437422539 /nfs/dbraw/zinc/42/25/39/437422539.db2.gz YCPAUNRLDYMJIK-MGPQQGTHSA-N 1 2 347.481 0.255 20 30 ECEDLO CC1(C)OCC(CO)([NH2+]CC(=O)Nc2sccc2C#N)CO1 ZINC000279162748 437380188 /nfs/dbraw/zinc/38/01/88/437380188.db2.gz BIFCQVBLCRHKDM-UHFFFAOYSA-N 1 2 325.390 0.662 20 30 ECEDLO C=CCn1c(C(C)C)nnc1N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000337919457 437385433 /nfs/dbraw/zinc/38/54/33/437385433.db2.gz XPDAHWJYVNCNBB-UHFFFAOYSA-N 1 2 332.452 0.988 20 30 ECEDLO COCc1nc(CNC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cs1 ZINC000329607209 437390836 /nfs/dbraw/zinc/39/08/36/437390836.db2.gz CHSSTROIYNTYIY-RYUDHWBXSA-N 1 2 326.422 0.718 20 30 ECEDLO COCc1nc(CNC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cs1 ZINC000329607209 437390840 /nfs/dbraw/zinc/39/08/40/437390840.db2.gz CHSSTROIYNTYIY-RYUDHWBXSA-N 1 2 326.422 0.718 20 30 ECEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 ZINC000289233827 437391325 /nfs/dbraw/zinc/39/13/25/437391325.db2.gz YWNYYKNMDQRXMO-UHFFFAOYSA-N 1 2 325.412 0.935 20 30 ECEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@H](C(=O)NC)C1 ZINC000184057525 437394986 /nfs/dbraw/zinc/39/49/86/437394986.db2.gz NXGHENYLQYVNDT-RDJZCZTQSA-N 1 2 334.416 0.602 20 30 ECEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@H](C(=O)NC)C1 ZINC000184057525 437394992 /nfs/dbraw/zinc/39/49/92/437394992.db2.gz NXGHENYLQYVNDT-RDJZCZTQSA-N 1 2 334.416 0.602 20 30 ECEDLO C[C@@H]1CN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CCS1(=O)=O ZINC000329634309 437394935 /nfs/dbraw/zinc/39/49/35/437394935.db2.gz TUOKWYXYMZGJPI-VXGBXAGGSA-N 1 2 326.422 0.793 20 30 ECEDLO N#CCSCCC[NH+]1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000289291614 437397148 /nfs/dbraw/zinc/39/71/48/437397148.db2.gz ABGZDIXDAJFJDY-UHFFFAOYSA-N 1 2 329.451 0.363 20 30 ECEDLO CCn1cc(-c2nn(C)cc2C(=O)NC[C@H]2CN(C)CC[N@@H+]2C)cn1 ZINC000330233154 437473671 /nfs/dbraw/zinc/47/36/71/437473671.db2.gz RYDZPBMUEFPTFZ-AWEZNQCLSA-N 1 2 345.451 0.854 20 30 ECEDLO CCn1cc(-c2nn(C)cc2C(=O)NC[C@H]2CN(C)CC[N@H+]2C)cn1 ZINC000330233154 437473675 /nfs/dbraw/zinc/47/36/75/437473675.db2.gz RYDZPBMUEFPTFZ-AWEZNQCLSA-N 1 2 345.451 0.854 20 30 ECEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cccc(-n4ccnn4)c3)C[C@H]21 ZINC000330266464 437476254 /nfs/dbraw/zinc/47/62/54/437476254.db2.gz PYRUJGYGGUBTJA-CABCVRRESA-N 1 2 328.376 0.828 20 30 ECEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cccc(-n4ccnn4)c3)C[C@H]21 ZINC000330266464 437476256 /nfs/dbraw/zinc/47/62/56/437476256.db2.gz PYRUJGYGGUBTJA-CABCVRRESA-N 1 2 328.376 0.828 20 30 ECEDLO C[C@@H](NC(=O)N1C[C@@H](C)O[C@]2(CCOC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000330002124 437445105 /nfs/dbraw/zinc/44/51/05/437445105.db2.gz YPBVIFFGGVCRKF-PNBKFKSVSA-N 1 2 341.452 0.889 20 30 ECEDLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000330072579 437450448 /nfs/dbraw/zinc/45/04/48/437450448.db2.gz JSLMBSLRZCFZRD-XNJGSVPQSA-N 1 2 339.436 0.832 20 30 ECEDLO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000330072579 437450452 /nfs/dbraw/zinc/45/04/52/437450452.db2.gz JSLMBSLRZCFZRD-XNJGSVPQSA-N 1 2 339.436 0.832 20 30 ECEDLO C[C@H]([C@H](C)NC(=O)N1CCc2n[nH]c(=O)cc2C1)[NH+]1CCOCC1 ZINC000330147597 437460412 /nfs/dbraw/zinc/46/04/12/437460412.db2.gz ISTIDXIEJMBKSW-NWDGAFQWSA-N 1 2 335.408 0.564 20 30 ECEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)CN2CCOCC2)CC1 ZINC000186159413 437463046 /nfs/dbraw/zinc/46/30/46/437463046.db2.gz JMMZKIIXUNVEBL-UHFFFAOYSA-N 1 2 342.443 0.843 20 30 ECEDLO COC(=O)[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000290504811 437495032 /nfs/dbraw/zinc/49/50/32/437495032.db2.gz YHGWFFVPUNCNKQ-ZDUSSCGKSA-N 1 2 337.401 0.612 20 30 ECEDLO COC(=O)[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000290504811 437495034 /nfs/dbraw/zinc/49/50/34/437495034.db2.gz YHGWFFVPUNCNKQ-ZDUSSCGKSA-N 1 2 337.401 0.612 20 30 ECEDLO C[C@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)C(=O)NC(C)(C)C ZINC000330473961 437525269 /nfs/dbraw/zinc/52/52/69/437525269.db2.gz GXNOBFKBVIQELL-LBPRGKRZSA-N 1 2 328.457 0.904 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC[N@@H+]1CCO ZINC000188723662 437564857 /nfs/dbraw/zinc/56/48/57/437564857.db2.gz KKJPAIOIBBZVBU-NSHDSACASA-N 1 2 343.836 0.899 20 30 ECEDLO C[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC[N@H+]1CCO ZINC000188723662 437564860 /nfs/dbraw/zinc/56/48/60/437564860.db2.gz KKJPAIOIBBZVBU-NSHDSACASA-N 1 2 343.836 0.899 20 30 ECEDLO N#Cc1ncn(CC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)n1 ZINC000189144808 437585508 /nfs/dbraw/zinc/58/55/08/437585508.db2.gz CMENJSVOKJFFRI-UHFFFAOYSA-N 1 2 344.806 0.978 20 30 ECEDLO N#Cc1ncn(CC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)n1 ZINC000189144808 437585513 /nfs/dbraw/zinc/58/55/13/437585513.db2.gz CMENJSVOKJFFRI-UHFFFAOYSA-N 1 2 344.806 0.978 20 30 ECEDLO N#CCc1ccc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000340166871 437587909 /nfs/dbraw/zinc/58/79/09/437587909.db2.gz AWGQYMYZAFBLJU-UHFFFAOYSA-N 1 2 339.399 1.534 20 30 ECEDLO C[C@@H](C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1)c1cccc(C#N)c1 ZINC000360712425 437632870 /nfs/dbraw/zinc/63/28/70/437632870.db2.gz HXQKKUBMHPXEFL-CJNGLKHVSA-N 1 2 344.415 0.306 20 30 ECEDLO C[C@@H](C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1)c1cccc(C#N)c1 ZINC000360712425 437632877 /nfs/dbraw/zinc/63/28/77/437632877.db2.gz HXQKKUBMHPXEFL-CJNGLKHVSA-N 1 2 344.415 0.306 20 30 ECEDLO COC(=O)[C@H]1CCCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000330871039 437636709 /nfs/dbraw/zinc/63/67/09/437636709.db2.gz BWRMZTLVIHTKDH-ZDUSSCGKSA-N 1 2 327.425 0.896 20 30 ECEDLO COC(=O)[C@H]1CCCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000330871039 437636713 /nfs/dbraw/zinc/63/67/13/437636713.db2.gz BWRMZTLVIHTKDH-ZDUSSCGKSA-N 1 2 327.425 0.896 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000330876370 437638958 /nfs/dbraw/zinc/63/89/58/437638958.db2.gz VDGADCMOKFPGQM-RDTXWAMCSA-N 1 2 337.464 0.905 20 30 ECEDLO C[C@H](O)C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)CO ZINC000190919213 437640641 /nfs/dbraw/zinc/64/06/41/437640641.db2.gz RVWXYQPWLKGTOS-STQMWFEESA-N 1 2 326.418 0.396 20 30 ECEDLO C[C@H](O)C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)CO ZINC000190919213 437640643 /nfs/dbraw/zinc/64/06/43/437640643.db2.gz RVWXYQPWLKGTOS-STQMWFEESA-N 1 2 326.418 0.396 20 30 ECEDLO CNC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2cc(C(C)(C)C)nn2C)C1 ZINC000330951050 437654873 /nfs/dbraw/zinc/65/48/73/437654873.db2.gz PFTFAOJALZCWLT-NSHDSACASA-N 1 2 336.440 0.864 20 30 ECEDLO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2cc(C(C)(C)C)nn2C)C1 ZINC000330951050 437654876 /nfs/dbraw/zinc/65/48/76/437654876.db2.gz PFTFAOJALZCWLT-NSHDSACASA-N 1 2 336.440 0.864 20 30 ECEDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)COc2ccc(C#N)cc2)C1 ZINC000354910064 437656447 /nfs/dbraw/zinc/65/64/47/437656447.db2.gz LOSMMBHUQRWRBR-OAHLLOKOSA-N 1 2 345.399 0.938 20 30 ECEDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)COc2ccc(C#N)cc2)C1 ZINC000354910064 437656452 /nfs/dbraw/zinc/65/64/52/437656452.db2.gz LOSMMBHUQRWRBR-OAHLLOKOSA-N 1 2 345.399 0.938 20 30 ECEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)COc2ccc(C#N)cc2)C1 ZINC000354910061 437657281 /nfs/dbraw/zinc/65/72/81/437657281.db2.gz LOSMMBHUQRWRBR-HNNXBMFYSA-N 1 2 345.399 0.938 20 30 ECEDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)COc2ccc(C#N)cc2)C1 ZINC000354910061 437657287 /nfs/dbraw/zinc/65/72/87/437657287.db2.gz LOSMMBHUQRWRBR-HNNXBMFYSA-N 1 2 345.399 0.938 20 30 ECEDLO NC(CN1CCOCC1)=[NH+]OCc1cccc(Br)n1 ZINC000292128257 437660451 /nfs/dbraw/zinc/66/04/51/437660451.db2.gz SCNFFZIYJIIASM-UHFFFAOYSA-N 1 2 329.198 0.965 20 30 ECEDLO CCCCNC(=O)NC(=O)CN1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000331013147 437670058 /nfs/dbraw/zinc/67/00/58/437670058.db2.gz WSAKIUUBRIKGOT-CYBMUJFWSA-N 1 2 336.440 0.539 20 30 ECEDLO CNS(=O)(=O)c1ccc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)cn1 ZINC000331024993 437671763 /nfs/dbraw/zinc/67/17/63/437671763.db2.gz UBERPXWIWNJRPE-LLVKDONJSA-N 1 2 342.421 0.015 20 30 ECEDLO CNS(=O)(=O)c1ccc(C(=O)NCC[N@H+]2CCOC[C@H]2C)cn1 ZINC000331024993 437671768 /nfs/dbraw/zinc/67/17/68/437671768.db2.gz UBERPXWIWNJRPE-LLVKDONJSA-N 1 2 342.421 0.015 20 30 ECEDLO CCN1CCN(C(=O)N[C@H](C)C[S@](C)=O)C[C@H]1c1[nH]cc[nH+]1 ZINC000331033075 437673666 /nfs/dbraw/zinc/67/36/66/437673666.db2.gz IZDDMEUBCZEWTI-DMDKVIGKSA-N 1 2 327.454 0.769 20 30 ECEDLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(CC#Cc2ccccc2)CC1 ZINC000361831326 437691977 /nfs/dbraw/zinc/69/19/77/437691977.db2.gz VLAHDUDGEAGPQM-SFHVURJKSA-N 1 2 341.455 0.903 20 30 ECEDLO CCN1CCN(S(=O)(=O)N(C)CCC#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000331164066 437704738 /nfs/dbraw/zinc/70/47/38/437704738.db2.gz HBSNHZZGHCDYKJ-LBPRGKRZSA-N 1 2 326.426 0.179 20 30 ECEDLO CNC(=O)C1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000343986319 437715667 /nfs/dbraw/zinc/71/56/67/437715667.db2.gz VYZWSCJXMCWFSH-UHFFFAOYSA-N 1 2 336.417 0.185 20 30 ECEDLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)NCC2CCOCC2)CCO1 ZINC000331243473 437725916 /nfs/dbraw/zinc/72/59/16/437725916.db2.gz OESGSBMDEWNKDB-ZDUSSCGKSA-N 1 2 328.413 0.495 20 30 ECEDLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)NCC2CCOCC2)CCO1 ZINC000331243473 437725918 /nfs/dbraw/zinc/72/59/18/437725918.db2.gz OESGSBMDEWNKDB-ZDUSSCGKSA-N 1 2 328.413 0.495 20 30 ECEDLO CCOC(=O)c1cnc(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)n1C ZINC000331245864 437725994 /nfs/dbraw/zinc/72/59/94/437725994.db2.gz UJWQVVLNOJLAIJ-LLVKDONJSA-N 1 2 338.412 0.169 20 30 ECEDLO CCOC(=O)c1cnc(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)n1C ZINC000331245864 437725996 /nfs/dbraw/zinc/72/59/96/437725996.db2.gz UJWQVVLNOJLAIJ-LLVKDONJSA-N 1 2 338.412 0.169 20 30 ECEDLO CC1(C)C[S@@](=O)CC[N@@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000331310779 437738199 /nfs/dbraw/zinc/73/81/99/437738199.db2.gz BULAFLXOPGJKSY-QFIPXVFZSA-N 1 2 343.371 0.812 20 30 ECEDLO CC1(C)C[S@@](=O)CC[N@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000331310779 437738204 /nfs/dbraw/zinc/73/82/04/437738204.db2.gz BULAFLXOPGJKSY-QFIPXVFZSA-N 1 2 343.371 0.812 20 30 ECEDLO C=CC[C@@H](CO)CNC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000340810616 437742376 /nfs/dbraw/zinc/74/23/76/437742376.db2.gz ZSQMPGDSWXMPGG-ZIAGYGMSSA-N 1 2 349.435 0.395 20 30 ECEDLO N#CCNC(=O)CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000344368942 437752450 /nfs/dbraw/zinc/75/24/50/437752450.db2.gz LXVFKMZPQDULBK-UHFFFAOYSA-N 1 2 330.392 0.511 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000362841834 437757016 /nfs/dbraw/zinc/75/70/16/437757016.db2.gz WTGKBWQEGDUQMJ-AWEZNQCLSA-N 1 2 329.404 0.323 20 30 ECEDLO C[C@@H](C#N)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000345929409 437800408 /nfs/dbraw/zinc/80/04/08/437800408.db2.gz OWLHITQXYWIPSR-ZDUSSCGKSA-N 1 2 330.388 0.847 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CCOCC(F)(F)C(F)F)CC1 ZINC000345850209 437800838 /nfs/dbraw/zinc/80/08/38/437800838.db2.gz FQTVTNIXKHAWCJ-UHFFFAOYSA-N 1 2 341.349 0.823 20 30 ECEDLO CN(Cc1[nH]cc[nH+]1)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000346423048 437811816 /nfs/dbraw/zinc/81/18/16/437811816.db2.gz VWPVPHXJVVQXHR-UHFFFAOYSA-N 1 2 332.385 0.855 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@](F)(CO)C2)CC1 ZINC000347348829 437874843 /nfs/dbraw/zinc/87/48/43/437874843.db2.gz UKNUUCGNNKIHKD-WBVHZDCISA-N 1 2 340.443 0.475 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@](F)(CO)C2)CC1 ZINC000347348829 437874846 /nfs/dbraw/zinc/87/48/46/437874846.db2.gz UKNUUCGNNKIHKD-WBVHZDCISA-N 1 2 340.443 0.475 20 30 ECEDLO C=CCOc1cccnc1C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000341364222 437835477 /nfs/dbraw/zinc/83/54/77/437835477.db2.gz PPAGNXJIWNJNRL-UHFFFAOYSA-N 1 2 332.404 0.540 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(S(=O)(=O)NC)CC1 ZINC000370831710 437847280 /nfs/dbraw/zinc/84/72/80/437847280.db2.gz VVNGOWZRCZKEAS-GFCCVEGCSA-N 1 2 330.454 0.008 20 30 ECEDLO Cn1ncc2c1nc(N1CCCN(c3ncccc3C#N)CC1)[nH+]c2N ZINC000365461340 437919260 /nfs/dbraw/zinc/91/92/60/437919260.db2.gz OKOIVEPPXXJFAE-UHFFFAOYSA-N 1 2 349.402 0.929 20 30 ECEDLO C=CCCOCCNC(=O)C(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000342009622 437939241 /nfs/dbraw/zinc/93/92/41/437939241.db2.gz BMGDCFUYZOEGQC-AWEZNQCLSA-N 1 2 349.435 0.324 20 30 ECEDLO Cc1nc(C(=O)NC[C@]2([NH+]3CCOCC3)CCCOC2)ccc1C#N ZINC000371992773 438019485 /nfs/dbraw/zinc/01/94/85/438019485.db2.gz RAJUQUATKOXWEI-GOSISDBHSA-N 1 2 344.415 0.873 20 30 ECEDLO N#CC[C@H](CC(=O)N[C@@H](CO)C[NH+]1CCOCC1)c1ccccc1 ZINC000425296737 438021490 /nfs/dbraw/zinc/02/14/90/438021490.db2.gz TUBQOXHXIIEJIR-IAGOWNOFSA-N 1 2 331.416 0.883 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000425878809 438045872 /nfs/dbraw/zinc/04/58/72/438045872.db2.gz ZDJQNBIONBGDJC-ZFWWWQNUSA-N 1 2 342.399 0.966 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428770003 438095807 /nfs/dbraw/zinc/09/58/07/438095807.db2.gz ZIOSLVXNOKVOOY-GXTWGEPZSA-N 1 2 330.454 0.007 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428770003 438095811 /nfs/dbraw/zinc/09/58/11/438095811.db2.gz ZIOSLVXNOKVOOY-GXTWGEPZSA-N 1 2 330.454 0.007 20 30 ECEDLO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000418118508 438109299 /nfs/dbraw/zinc/10/92/99/438109299.db2.gz DYDJFWSSWGXQKU-CQSZACIVSA-N 1 2 331.372 0.820 20 30 ECEDLO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000418118508 438109302 /nfs/dbraw/zinc/10/93/02/438109302.db2.gz DYDJFWSSWGXQKU-CQSZACIVSA-N 1 2 331.372 0.820 20 30 ECEDLO N#CCC1(CNC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000430860220 438128138 /nfs/dbraw/zinc/12/81/38/438128138.db2.gz JCIFJBLASQFZON-UHFFFAOYSA-N 1 2 347.463 0.924 20 30 ECEDLO C=CC[N@@H+](C)CCN(CC)[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000429708317 438104870 /nfs/dbraw/zinc/10/48/70/438104870.db2.gz JVDYZOOFGBNJAD-KGLIPLIRSA-N 1 2 331.482 0.118 20 30 ECEDLO C=CC[N@H+](C)CCN(CC)[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000429708317 438104873 /nfs/dbraw/zinc/10/48/73/438104873.db2.gz JVDYZOOFGBNJAD-KGLIPLIRSA-N 1 2 331.482 0.118 20 30 ECEDLO C#CCNC(=O)C1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000373482662 438153034 /nfs/dbraw/zinc/15/30/34/438153034.db2.gz SSVJRYJGONXHIL-KRWDZBQOSA-N 1 2 347.459 0.618 20 30 ECEDLO C#CCNC(=O)C1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000373482662 438153038 /nfs/dbraw/zinc/15/30/38/438153038.db2.gz SSVJRYJGONXHIL-KRWDZBQOSA-N 1 2 347.459 0.618 20 30 ECEDLO COCCN(CCC#N)S(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000367131905 438171170 /nfs/dbraw/zinc/17/11/70/438171170.db2.gz WEMLRDKRCCDIJJ-LBPRGKRZSA-N 1 2 327.410 0.653 20 30 ECEDLO C[C@H](O)COC(=O)CC[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000373859584 438172131 /nfs/dbraw/zinc/17/21/31/438172131.db2.gz NQROIMFWVHASAJ-VEVIJQCQSA-N 1 2 343.383 0.646 20 30 ECEDLO C[C@H](O)COC(=O)CC[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000373859584 438172136 /nfs/dbraw/zinc/17/21/36/438172136.db2.gz NQROIMFWVHASAJ-VEVIJQCQSA-N 1 2 343.383 0.646 20 30 ECEDLO COC(=O)C1(O)CC[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000367541033 438221984 /nfs/dbraw/zinc/22/19/84/438221984.db2.gz CNAHJHCVARWDCN-GFCCVEGCSA-N 1 2 331.372 0.885 20 30 ECEDLO C[C@@H](C#N)CN(C)C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000350095723 438197878 /nfs/dbraw/zinc/19/78/78/438197878.db2.gz JJYFJVIVGOZZQR-AWEZNQCLSA-N 1 2 335.452 0.732 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000374401204 438206624 /nfs/dbraw/zinc/20/66/24/438206624.db2.gz JDVSVMIAHNCSHP-GFCCVEGCSA-N 1 2 334.405 0.693 20 30 ECEDLO C=CCCCCCCNC(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000377045283 438299479 /nfs/dbraw/zinc/29/94/79/438299479.db2.gz SOLBOKBQQYETRV-HNNXBMFYSA-N 1 2 340.468 0.950 20 30 ECEDLO C=CCCCCCCNC(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000377045283 438299484 /nfs/dbraw/zinc/29/94/84/438299484.db2.gz SOLBOKBQQYETRV-HNNXBMFYSA-N 1 2 340.468 0.950 20 30 ECEDLO C#CCC(CC#C)C(=O)N1C[C@@H](O)[C@H]([N@H+](CC)Cc2nnc(C)o2)C1 ZINC000377308514 438307981 /nfs/dbraw/zinc/30/79/81/438307981.db2.gz XNMDNQQBUKHINT-HZPDHXFCSA-N 1 2 344.415 0.434 20 30 ECEDLO C#CCC(CC#C)C(=O)N1C[C@@H](O)[C@H]([N@@H+](CC)Cc2nnc(C)o2)C1 ZINC000377308514 438307985 /nfs/dbraw/zinc/30/79/85/438307985.db2.gz XNMDNQQBUKHINT-HZPDHXFCSA-N 1 2 344.415 0.434 20 30 ECEDLO CNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2ccccc2C#N)CC1 ZINC000368839438 438389922 /nfs/dbraw/zinc/38/99/22/438389922.db2.gz UEKDPDSDWKLCFO-BQYQJAHWSA-N 1 2 326.400 0.852 20 30 ECEDLO CNC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2ccccc2C#N)CC1 ZINC000368839438 438389926 /nfs/dbraw/zinc/38/99/26/438389926.db2.gz UEKDPDSDWKLCFO-BQYQJAHWSA-N 1 2 326.400 0.852 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000352544246 438438022 /nfs/dbraw/zinc/43/80/22/438438022.db2.gz PGUVKNNEOBBWGY-DZGCQCFKSA-N 1 2 344.481 0.397 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000352544246 438438026 /nfs/dbraw/zinc/43/80/26/438438026.db2.gz PGUVKNNEOBBWGY-DZGCQCFKSA-N 1 2 344.481 0.397 20 30 ECEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCO2)CC1)C1CC1 ZINC000368914189 438398686 /nfs/dbraw/zinc/39/86/86/438398686.db2.gz WUUZLJWUHXJZSM-MAUKXSAKSA-N 1 2 348.447 0.508 20 30 ECEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCO2)CC1)C1CC1 ZINC000368914189 438398692 /nfs/dbraw/zinc/39/86/92/438398692.db2.gz WUUZLJWUHXJZSM-MAUKXSAKSA-N 1 2 348.447 0.508 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCO2)CC1)C1CC1 ZINC000368914191 438399855 /nfs/dbraw/zinc/39/98/55/438399855.db2.gz WUUZLJWUHXJZSM-YJBOKZPZSA-N 1 2 348.447 0.508 20 30 ECEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCO2)CC1)C1CC1 ZINC000368914191 438399859 /nfs/dbraw/zinc/39/98/59/438399859.db2.gz WUUZLJWUHXJZSM-YJBOKZPZSA-N 1 2 348.447 0.508 20 30 ECEDLO Cc1cc[nH+]cc1N1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1 ZINC000407977050 438475945 /nfs/dbraw/zinc/47/59/45/438475945.db2.gz WHSALBZCADGQRV-CQSZACIVSA-N 1 2 337.449 0.991 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000352617172 438449915 /nfs/dbraw/zinc/44/99/15/438449915.db2.gz MRVHTONHSZYDHR-ILXRZTDVSA-N 1 2 344.481 0.508 20 30 ECEDLO CC(=O)N[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000422093887 438516206 /nfs/dbraw/zinc/51/62/06/438516206.db2.gz ZFRFTJAYUYFBLX-HIFRSBDPSA-N 1 2 326.356 0.401 20 30 ECEDLO CC(=O)N[C@@H]1CC[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000422093887 438516208 /nfs/dbraw/zinc/51/62/08/438516208.db2.gz ZFRFTJAYUYFBLX-HIFRSBDPSA-N 1 2 326.356 0.401 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000451980665 438622450 /nfs/dbraw/zinc/62/24/50/438622450.db2.gz AATLJYHQMCLELV-NWDGAFQWSA-N 1 2 325.413 0.122 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000451980665 438622452 /nfs/dbraw/zinc/62/24/52/438622452.db2.gz AATLJYHQMCLELV-NWDGAFQWSA-N 1 2 325.413 0.122 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(OC)cn2)CC1 ZINC000452060481 438631886 /nfs/dbraw/zinc/63/18/86/438631886.db2.gz RKLRTIGUOFWQBY-CYBMUJFWSA-N 1 2 347.419 0.613 20 30 ECEDLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)CC1(C#N)CCCCC1 ZINC000452099579 438639496 /nfs/dbraw/zinc/63/94/96/438639496.db2.gz CNZRSCSXFVGNNM-AWEZNQCLSA-N 1 2 329.466 0.789 20 30 ECEDLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)CC1(C#N)CCCCC1 ZINC000452099579 438639500 /nfs/dbraw/zinc/63/95/00/438639500.db2.gz CNZRSCSXFVGNNM-AWEZNQCLSA-N 1 2 329.466 0.789 20 30 ECEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000452106635 438640153 /nfs/dbraw/zinc/64/01/53/438640153.db2.gz QPLORYKSXHJCSW-LBPRGKRZSA-N 1 2 339.417 0.254 20 30 ECEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000452106635 438640155 /nfs/dbraw/zinc/64/01/55/438640155.db2.gz QPLORYKSXHJCSW-LBPRGKRZSA-N 1 2 339.417 0.254 20 30 ECEDLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000452101488 438640204 /nfs/dbraw/zinc/64/02/04/438640204.db2.gz GUSZYJRNEAGLMV-NSHDSACASA-N 1 2 327.381 0.384 20 30 ECEDLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000452101488 438640209 /nfs/dbraw/zinc/64/02/09/438640209.db2.gz GUSZYJRNEAGLMV-NSHDSACASA-N 1 2 327.381 0.384 20 30 ECEDLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000452102649 438640841 /nfs/dbraw/zinc/64/08/41/438640841.db2.gz IQDQKOKBTKYECQ-LBPRGKRZSA-N 1 2 341.408 0.526 20 30 ECEDLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000452102649 438640844 /nfs/dbraw/zinc/64/08/44/438640844.db2.gz IQDQKOKBTKYECQ-LBPRGKRZSA-N 1 2 341.408 0.526 20 30 ECEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000444700225 438664293 /nfs/dbraw/zinc/66/42/93/438664293.db2.gz FRIJQVQSFRWDMZ-FPMFFAJLSA-N 1 2 335.429 0.914 20 30 ECEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000444700225 438664297 /nfs/dbraw/zinc/66/42/97/438664297.db2.gz FRIJQVQSFRWDMZ-FPMFFAJLSA-N 1 2 335.429 0.914 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451261980 438696467 /nfs/dbraw/zinc/69/64/67/438696467.db2.gz KHEPVICAEZEVNR-RHSMWYFYSA-N 1 2 335.379 0.798 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451261980 438696471 /nfs/dbraw/zinc/69/64/71/438696471.db2.gz KHEPVICAEZEVNR-RHSMWYFYSA-N 1 2 335.379 0.798 20 30 ECEDLO C[N@H+](CCC#N)C[C@H](O)CN1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000414120873 438698889 /nfs/dbraw/zinc/69/88/89/438698889.db2.gz FCGOPFBXIUTOGZ-AWEZNQCLSA-N 1 2 334.376 0.864 20 30 ECEDLO C[N@@H+](CCC#N)C[C@H](O)CN1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000414120873 438698895 /nfs/dbraw/zinc/69/88/95/438698895.db2.gz FCGOPFBXIUTOGZ-AWEZNQCLSA-N 1 2 334.376 0.864 20 30 ECEDLO CN(CCC#N)C[C@H](O)C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000414120873 438698899 /nfs/dbraw/zinc/69/88/99/438698899.db2.gz FCGOPFBXIUTOGZ-AWEZNQCLSA-N 1 2 334.376 0.864 20 30 ECEDLO CO[C@@H]1CC[N@H+](CC(=O)NCC#N)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000495223395 438725447 /nfs/dbraw/zinc/72/54/47/438725447.db2.gz UCBLEAJCVDHHQV-CHWSQXEVSA-N 1 2 340.424 0.630 20 30 ECEDLO CO[C@@H]1CC[N@@H+](CC(=O)NCC#N)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000495223395 438725450 /nfs/dbraw/zinc/72/54/50/438725450.db2.gz UCBLEAJCVDHHQV-CHWSQXEVSA-N 1 2 340.424 0.630 20 30 ECEDLO C=CCCCN(C)C(=O)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000414601845 438711295 /nfs/dbraw/zinc/71/12/95/438711295.db2.gz TYHNCUUXZQEKML-UHFFFAOYSA-N 1 2 341.452 0.217 20 30 ECEDLO COc1ccccc1COC[C@H](O)C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000576118648 438769225 /nfs/dbraw/zinc/76/92/25/438769225.db2.gz UYECVRCQYJHBSY-MRXNPFEDSA-N 1 2 347.415 0.631 20 30 ECEDLO N#Cc1ccncc1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000576565707 438787982 /nfs/dbraw/zinc/78/79/82/438787982.db2.gz DBCTUYFCVFEEBV-OAHLLOKOSA-N 1 2 330.388 0.517 20 30 ECEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1S(=O)(=O)CC1(CC#N)CC1 ZINC000576671841 438792532 /nfs/dbraw/zinc/79/25/32/438792532.db2.gz IRLYCMDTSROFIP-ZIAGYGMSSA-N 1 2 327.450 0.805 20 30 ECEDLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)CC2(C#N)CCC2)CC1 ZINC000558716444 438825060 /nfs/dbraw/zinc/82/50/60/438825060.db2.gz KNMKGVLEVSPHDO-UHFFFAOYSA-N 1 2 342.465 0.152 20 30 ECEDLO N#Cc1cc(Br)cnc1N[C@@H](CO)C[NH+]1CCOCC1 ZINC000601177528 438827911 /nfs/dbraw/zinc/82/79/11/438827911.db2.gz WEZCJPKIULGFGU-GFCCVEGCSA-N 1 2 341.209 0.821 20 30 ECEDLO COc1cccnc1CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000588382464 438831962 /nfs/dbraw/zinc/83/19/62/438831962.db2.gz XPMPGOQECQWTCQ-UHFFFAOYSA-N 1 2 332.404 0.707 20 30 ECEDLO CN1CC(=O)N(CC[NH+]2CCN(c3ccsc3C#N)CC2)C1=O ZINC000595638753 438839192 /nfs/dbraw/zinc/83/91/92/438839192.db2.gz UJHRQOYTJDMESU-UHFFFAOYSA-N 1 2 333.417 0.636 20 30 ECEDLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)CCC(C)(C)C#N)CC1 ZINC000561395623 438847005 /nfs/dbraw/zinc/84/70/05/438847005.db2.gz JAXWLPFORJPSFA-ZDUSSCGKSA-N 1 2 345.465 0.825 20 30 ECEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000601341323 438852459 /nfs/dbraw/zinc/85/24/59/438852459.db2.gz BISRVQMDKCXYEE-AWEZNQCLSA-N 1 2 340.424 0.530 20 30 ECEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000601341323 438852464 /nfs/dbraw/zinc/85/24/64/438852464.db2.gz BISRVQMDKCXYEE-AWEZNQCLSA-N 1 2 340.424 0.530 20 30 ECEDLO Cc1cc(C#N)cnc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000590196059 438902334 /nfs/dbraw/zinc/90/23/34/438902334.db2.gz XKVCIXJAEASEND-UHFFFAOYSA-N 1 2 327.388 0.950 20 30 ECEDLO C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)[C@@H](CO)C1 ZINC000601468394 438905974 /nfs/dbraw/zinc/90/59/74/438905974.db2.gz CNHQGSMMJMWWBA-CQSZACIVSA-N 1 2 327.381 0.135 20 30 ECEDLO C[N@H+]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)[C@@H](CO)C1 ZINC000601468394 438905981 /nfs/dbraw/zinc/90/59/81/438905981.db2.gz CNHQGSMMJMWWBA-CQSZACIVSA-N 1 2 327.381 0.135 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000564801259 438876209 /nfs/dbraw/zinc/87/62/09/438876209.db2.gz DNYDRUQUSHGZSH-OAHLLOKOSA-N 1 2 343.347 0.749 20 30 ECEDLO Cc1ncc(S(=O)(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc1C#N ZINC000589909954 438888526 /nfs/dbraw/zinc/88/85/26/438888526.db2.gz NLPWHIFNELIVEA-UHFFFAOYSA-N 1 2 338.433 0.339 20 30 ECEDLO Cc1ncc(S(=O)(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cc1C#N ZINC000589909954 438888531 /nfs/dbraw/zinc/88/85/31/438888531.db2.gz NLPWHIFNELIVEA-UHFFFAOYSA-N 1 2 338.433 0.339 20 30 ECEDLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)CC1 ZINC000564948058 438891905 /nfs/dbraw/zinc/89/19/05/438891905.db2.gz QNZVATSOPYLJBA-UHFFFAOYSA-N 1 2 331.376 0.072 20 30 ECEDLO C[C@@H](C#N)CNC(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000596552204 438974958 /nfs/dbraw/zinc/97/49/58/438974958.db2.gz SVSCVSOWLHGVSW-YJBOKZPZSA-N 1 2 346.431 0.709 20 30 ECEDLO C[C@@H](C#N)CNC(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000596552204 438974963 /nfs/dbraw/zinc/97/49/63/438974963.db2.gz SVSCVSOWLHGVSW-YJBOKZPZSA-N 1 2 346.431 0.709 20 30 ECEDLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)CC1 ZINC000602029866 438999605 /nfs/dbraw/zinc/99/96/05/438999605.db2.gz KACLPBOKOMSZNQ-UHFFFAOYSA-N 1 2 334.351 0.426 20 30 ECEDLO C[C@H](NC(=O)C(=O)Nc1cc(F)cc(C#N)c1)[C@H](C)[NH+]1CCOCC1 ZINC000602025673 439000533 /nfs/dbraw/zinc/00/05/33/439000533.db2.gz ZULGKEGCCQMWLW-RYUDHWBXSA-N 1 2 348.378 0.861 20 30 ECEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc([N+](=O)[O-])cc1-n1cnnn1 ZINC000566318773 439042079 /nfs/dbraw/zinc/04/20/79/439042079.db2.gz VTPIRBKPQQYEOK-GFCCVEGCSA-N 1 2 347.335 0.156 20 30 ECEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc([N+](=O)[O-])cc1-n1cnnn1 ZINC000566318773 439042082 /nfs/dbraw/zinc/04/20/82/439042082.db2.gz VTPIRBKPQQYEOK-GFCCVEGCSA-N 1 2 347.335 0.156 20 30 ECEDLO Cn1c(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)nnc1-c1ccccc1 ZINC000519757741 439060052 /nfs/dbraw/zinc/06/00/52/439060052.db2.gz JGNNCTRHXILMSO-KRWDZBQOSA-N 1 2 326.404 0.985 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cn1cc(Br)ccc1=O ZINC000519162006 439025349 /nfs/dbraw/zinc/02/53/49/439025349.db2.gz WROZWTVULFTGTQ-CYBMUJFWSA-N 1 2 341.209 0.571 20 30 ECEDLO C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N[C@](C)(C#N)C[NH+](C)C)C2=O ZINC000566307946 439040629 /nfs/dbraw/zinc/04/06/29/439040629.db2.gz CPBURNNZKRYDAP-CSMYWGQOSA-N 1 2 349.435 0.447 20 30 ECEDLO Cc1ccc(NC(=O)CN(C)C(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592149457 439167139 /nfs/dbraw/zinc/16/71/39/439167139.db2.gz PKADUTXSZNDBNA-SFHVURJKSA-N 1 2 344.415 0.742 20 30 ECEDLO Cc1ccc(NC(=O)CN(C)C(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592149457 439167144 /nfs/dbraw/zinc/16/71/44/439167144.db2.gz PKADUTXSZNDBNA-SFHVURJKSA-N 1 2 344.415 0.742 20 30 ECEDLO CN(C)C(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592149200 439167618 /nfs/dbraw/zinc/16/76/18/439167618.db2.gz KNWIIEDCBCIOIZ-KRWDZBQOSA-N 1 2 330.388 0.677 20 30 ECEDLO CN(C)C(=O)c1cccc(NC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592149200 439167624 /nfs/dbraw/zinc/16/76/24/439167624.db2.gz KNWIIEDCBCIOIZ-KRWDZBQOSA-N 1 2 330.388 0.677 20 30 ECEDLO COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148178 439167934 /nfs/dbraw/zinc/16/79/34/439167934.db2.gz WJKJGHWFKJKRSF-QGZVFWFLSA-N 1 2 331.372 0.786 20 30 ECEDLO COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148178 439167938 /nfs/dbraw/zinc/16/79/38/439167938.db2.gz WJKJGHWFKJKRSF-QGZVFWFLSA-N 1 2 331.372 0.786 20 30 ECEDLO N#C[C@H](CCc1ccccc1)C(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000597618891 439140299 /nfs/dbraw/zinc/14/02/99/439140299.db2.gz WLWNYZKWVURGJL-IRXDYDNUSA-N 1 2 331.416 0.568 20 30 ECEDLO COC(=O)[C@@H](CC(C)C)NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602855348 439144782 /nfs/dbraw/zinc/14/47/82/439144782.db2.gz GWAKXXHREVJSLC-QLFBSQMISA-N 1 2 338.452 0.608 20 30 ECEDLO COC(=O)[C@@H](CC(C)C)NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602855348 439144789 /nfs/dbraw/zinc/14/47/89/439144789.db2.gz GWAKXXHREVJSLC-QLFBSQMISA-N 1 2 338.452 0.608 20 30 ECEDLO C[C@@H]1C[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C[C@H](C)N1CC#N ZINC000602855623 439145265 /nfs/dbraw/zinc/14/52/65/439145265.db2.gz HWNZJGBDXMEAJB-AOOOYVTPSA-N 1 2 335.330 0.293 20 30 ECEDLO C[C@@H]1C[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C[C@H](C)N1CC#N ZINC000602855623 439145268 /nfs/dbraw/zinc/14/52/68/439145268.db2.gz HWNZJGBDXMEAJB-AOOOYVTPSA-N 1 2 335.330 0.293 20 30 ECEDLO N#Cc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000592285364 439193630 /nfs/dbraw/zinc/19/36/30/439193630.db2.gz OFHWTIHSESFLPB-AWEZNQCLSA-N 1 2 343.387 0.215 20 30 ECEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000597935881 439199037 /nfs/dbraw/zinc/19/90/37/439199037.db2.gz IJEIHGXNQAABSD-AWEZNQCLSA-N 1 2 334.445 0.989 20 30 ECEDLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000597935881 439199040 /nfs/dbraw/zinc/19/90/40/439199040.db2.gz IJEIHGXNQAABSD-AWEZNQCLSA-N 1 2 334.445 0.989 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000603171965 439202072 /nfs/dbraw/zinc/20/20/72/439202072.db2.gz QSWPVFOOVUCBMH-MRXNPFEDSA-N 1 2 334.424 0.207 20 30 ECEDLO C[N@H+](CCO)Cc1cn([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)nn1 ZINC000603191905 439207749 /nfs/dbraw/zinc/20/77/49/439207749.db2.gz KWQGTDFWXITHQF-MRXNPFEDSA-N 1 2 340.387 0.552 20 30 ECEDLO C[N@@H+](CCO)Cc1cn([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)nn1 ZINC000603191905 439207753 /nfs/dbraw/zinc/20/77/53/439207753.db2.gz KWQGTDFWXITHQF-MRXNPFEDSA-N 1 2 340.387 0.552 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2cscn2)CC1 ZINC000490618975 439280114 /nfs/dbraw/zinc/28/01/14/439280114.db2.gz ZHHGZBMGPZNDPR-SNAWJCMRSA-N 1 2 332.429 0.440 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2cscn2)CC1 ZINC000490618975 439280120 /nfs/dbraw/zinc/28/01/20/439280120.db2.gz ZHHGZBMGPZNDPR-SNAWJCMRSA-N 1 2 332.429 0.440 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccnc(C3CC3)n2)CC1 ZINC000490649594 439282839 /nfs/dbraw/zinc/28/28/39/439282839.db2.gz IJOICSUCKRJARD-UHFFFAOYSA-N 1 2 341.415 0.251 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccnc(C3CC3)n2)CC1 ZINC000490649594 439282843 /nfs/dbraw/zinc/28/28/43/439282843.db2.gz IJOICSUCKRJARD-UHFFFAOYSA-N 1 2 341.415 0.251 20 30 ECEDLO Cc1nc(N2CCN([C@H](C)C(=O)NC3(C#N)CCC3)CC2)cc[nH+]1 ZINC000527049884 439251005 /nfs/dbraw/zinc/25/10/05/439251005.db2.gz PLKBHKZCOMXWIC-CYBMUJFWSA-N 1 2 328.420 0.858 20 30 ECEDLO C[C@H](C(=O)N(CC[NH+]1CCOCC1)CC1CC1)n1cnc(C#N)n1 ZINC000598342446 439254248 /nfs/dbraw/zinc/25/42/48/439254248.db2.gz IPRDVVCNHPRPIU-CYBMUJFWSA-N 1 2 332.408 0.282 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(C[S@@](C)=O)c2)CC1 ZINC000490924484 439313501 /nfs/dbraw/zinc/31/35/01/439313501.db2.gz PPTJSCMNGVYMIS-HSZRJFAPSA-N 1 2 333.457 0.754 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H](C[C@H]1COCCO1)C(F)(F)F ZINC000598836417 439318324 /nfs/dbraw/zinc/31/83/24/439318324.db2.gz IQHNHRFPXIQHTI-GVXVVHGQSA-N 1 2 337.342 0.930 20 30 ECEDLO CCNC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528344224 439328476 /nfs/dbraw/zinc/32/84/76/439328476.db2.gz HRBPUNWOGFDGET-OAHLLOKOSA-N 1 2 332.404 0.645 20 30 ECEDLO C#CCNC(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000491067138 439328926 /nfs/dbraw/zinc/32/89/26/439328926.db2.gz GTSSLQPLXOGBTL-UHFFFAOYSA-N 1 2 349.456 0.441 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+]([C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528335226 439329238 /nfs/dbraw/zinc/32/92/38/439329238.db2.gz AGQJLLGKDPGCIB-QGZVFWFLSA-N 1 2 348.491 0.840 20 30 ECEDLO CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000593008205 439330480 /nfs/dbraw/zinc/33/04/80/439330480.db2.gz RGXIIWGVEGAKRT-CYBMUJFWSA-N 1 2 338.389 0.980 20 30 ECEDLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000593008205 439330486 /nfs/dbraw/zinc/33/04/86/439330486.db2.gz RGXIIWGVEGAKRT-CYBMUJFWSA-N 1 2 338.389 0.980 20 30 ECEDLO N#CC1(C[C@H](O)C[NH+]2CC(S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000528456609 439338007 /nfs/dbraw/zinc/33/80/07/439338007.db2.gz NSDUHHCMNRZPGV-ZDUSSCGKSA-N 1 2 327.450 0.587 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000603876703 439287525 /nfs/dbraw/zinc/28/75/25/439287525.db2.gz LKRDUWXLODYGCW-NFAWXSAZSA-N 1 2 344.481 0.443 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000603876703 439287527 /nfs/dbraw/zinc/28/75/27/439287527.db2.gz LKRDUWXLODYGCW-NFAWXSAZSA-N 1 2 344.481 0.443 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(-c3ncn(C)n3)cc2)CC1 ZINC000490740513 439292631 /nfs/dbraw/zinc/29/26/31/439292631.db2.gz PDFJRQFATIDJGW-UHFFFAOYSA-N 1 2 339.399 0.638 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000490761023 439294990 /nfs/dbraw/zinc/29/49/90/439294990.db2.gz QSLMIGXQCHPRPF-UHFFFAOYSA-N 1 2 333.344 0.760 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(C)Cc2nc([C@H](C)OCC)no2)CC1 ZINC000490779187 439298918 /nfs/dbraw/zinc/29/89/18/439298918.db2.gz SFCKRFTVGQQAKP-AWEZNQCLSA-N 1 2 349.435 0.376 20 30 ECEDLO Cc1nc(NC(=O)[C@H]2C[N@H+](C)CCO2)n(-c2ccc(C#N)cc2)n1 ZINC000598685264 439301390 /nfs/dbraw/zinc/30/13/90/439301390.db2.gz AOQUMMBMTJCXEE-CQSZACIVSA-N 1 2 326.360 0.138 20 30 ECEDLO Cc1nc(NC(=O)[C@H]2C[N@@H+](C)CCO2)n(-c2ccc(C#N)cc2)n1 ZINC000598685264 439301397 /nfs/dbraw/zinc/30/13/97/439301397.db2.gz AOQUMMBMTJCXEE-CQSZACIVSA-N 1 2 326.360 0.138 20 30 ECEDLO C[C@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CC[S@@](=O)C1 ZINC000528478593 439339936 /nfs/dbraw/zinc/33/99/36/439339936.db2.gz UMTNEDPYKYVLTC-LFPIHBKWSA-N 1 2 344.436 0.986 20 30 ECEDLO C[C@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CC[S@@](=O)C1 ZINC000528478593 439339941 /nfs/dbraw/zinc/33/99/41/439339941.db2.gz UMTNEDPYKYVLTC-LFPIHBKWSA-N 1 2 344.436 0.986 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2OC)CC1 ZINC000491166331 439340995 /nfs/dbraw/zinc/34/09/95/439340995.db2.gz RFGRCUDHNPCQMW-UHFFFAOYSA-N 1 2 326.400 0.434 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2OC)CC1 ZINC000491166331 439341002 /nfs/dbraw/zinc/34/10/02/439341002.db2.gz RFGRCUDHNPCQMW-UHFFFAOYSA-N 1 2 326.400 0.434 20 30 ECEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000599195089 439379383 /nfs/dbraw/zinc/37/93/83/439379383.db2.gz PXUXBKCPOAFXKJ-OAHLLOKOSA-N 1 2 344.419 0.115 20 30 ECEDLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000599195089 439379386 /nfs/dbraw/zinc/37/93/86/439379386.db2.gz PXUXBKCPOAFXKJ-OAHLLOKOSA-N 1 2 344.419 0.115 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cn1ccc(C(F)F)n1 ZINC000599229223 439390897 /nfs/dbraw/zinc/39/08/97/439390897.db2.gz FGNBAZZQRDJNRK-UHFFFAOYSA-N 1 2 341.362 0.895 20 30 ECEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N(CCC#N)CCN1CCOCC1)CC2 ZINC000599230280 439394091 /nfs/dbraw/zinc/39/40/91/439394091.db2.gz OXLKYPWGCFOUAQ-MRXNPFEDSA-N 1 2 345.447 0.828 20 30 ECEDLO N#Cc1ccc(CC(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)cn1 ZINC000529206177 439396174 /nfs/dbraw/zinc/39/61/74/439396174.db2.gz AYIRDQRGKVZDRE-UHFFFAOYSA-N 1 2 349.394 0.978 20 30 ECEDLO N#Cc1ccc(CC(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)cn1 ZINC000529206177 439396178 /nfs/dbraw/zinc/39/61/78/439396178.db2.gz AYIRDQRGKVZDRE-UHFFFAOYSA-N 1 2 349.394 0.978 20 30 ECEDLO CC(=O)N1CC[NH+](CCNC(=O)/C=C\c2ccc(C#N)cc2)CC1 ZINC000491518501 439399344 /nfs/dbraw/zinc/39/93/44/439399344.db2.gz CYYLDMNALXPGAK-SREVYHEPSA-N 1 2 326.400 0.852 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000491537664 439401661 /nfs/dbraw/zinc/40/16/61/439401661.db2.gz SFZYNMSCGPJUQH-UHFFFAOYSA-N 1 2 335.339 0.390 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000491537664 439401668 /nfs/dbraw/zinc/40/16/68/439401668.db2.gz SFZYNMSCGPJUQH-UHFFFAOYSA-N 1 2 335.339 0.390 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2cc(N(C)C)cc(N(C)C)c2)CC1 ZINC000491475636 439389250 /nfs/dbraw/zinc/38/92/50/439389250.db2.gz YLICKNCUHJICQC-UHFFFAOYSA-N 1 2 344.459 0.975 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccsc2C#N)[C@H](C)C1 ZINC000593579058 439412149 /nfs/dbraw/zinc/41/21/49/439412149.db2.gz RILMYOHSVKQHRQ-GHMZBOCLSA-N 1 2 329.447 0.695 20 30 ECEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccsc2C#N)[C@H](C)C1 ZINC000593579058 439412155 /nfs/dbraw/zinc/41/21/55/439412155.db2.gz RILMYOHSVKQHRQ-GHMZBOCLSA-N 1 2 329.447 0.695 20 30 ECEDLO C#CCN1C(=O)C[C@H]([NH+]2CCC3(CC2)CCS(=O)(=O)CC3)C1=O ZINC000491623609 439415392 /nfs/dbraw/zinc/41/53/92/439415392.db2.gz PZVPVJRQOXRSOM-ZDUSSCGKSA-N 1 2 338.429 0.038 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000491669596 439424773 /nfs/dbraw/zinc/42/47/73/439424773.db2.gz UOEOCTWXDRFCBQ-UHFFFAOYSA-N 1 2 347.366 0.818 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000491669596 439424778 /nfs/dbraw/zinc/42/47/78/439424778.db2.gz UOEOCTWXDRFCBQ-UHFFFAOYSA-N 1 2 347.366 0.818 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2ccncc2C)CC1 ZINC000491709542 439431797 /nfs/dbraw/zinc/43/17/97/439431797.db2.gz QSNNTHHMXXOMRF-AATRIKPKSA-N 1 2 340.427 0.687 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2ccncc2C)CC1 ZINC000491709542 439431802 /nfs/dbraw/zinc/43/18/02/439431802.db2.gz QSNNTHHMXXOMRF-AATRIKPKSA-N 1 2 340.427 0.687 20 30 ECEDLO COCC[N@@H+]1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)C(C)(C)C1 ZINC000593658655 439439110 /nfs/dbraw/zinc/43/91/10/439439110.db2.gz UPXPQUPUMQNNKW-CYBMUJFWSA-N 1 2 332.470 0.365 20 30 ECEDLO COCC[N@H+]1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)C(C)(C)C1 ZINC000593658655 439439117 /nfs/dbraw/zinc/43/91/17/439439117.db2.gz UPXPQUPUMQNNKW-CYBMUJFWSA-N 1 2 332.470 0.365 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000491741221 439439976 /nfs/dbraw/zinc/43/99/76/439439976.db2.gz VOULMUMYGFZZBJ-UHFFFAOYSA-N 1 2 348.315 0.659 20 30 ECEDLO C#CC[N@@H+](CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)C1CC1 ZINC000491741940 439440049 /nfs/dbraw/zinc/44/00/49/439440049.db2.gz SAZOOXNGBHAXDN-UHFFFAOYSA-N 1 2 334.464 0.143 20 30 ECEDLO C#CC[N@H+](CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)C1CC1 ZINC000491741940 439440053 /nfs/dbraw/zinc/44/00/53/439440053.db2.gz SAZOOXNGBHAXDN-UHFFFAOYSA-N 1 2 334.464 0.143 20 30 ECEDLO C=CCNC(=O)NC(=O)CN1CCc2[nH+]c[nH]c2[C@@H]1c1ccnn1C ZINC000599444817 439472865 /nfs/dbraw/zinc/47/28/65/439472865.db2.gz MTNZTCUMDLVUHT-HNNXBMFYSA-N 1 2 343.391 0.103 20 30 ECEDLO COC[C@@]1(C(=O)OC)CCC[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC000599475007 439483996 /nfs/dbraw/zinc/48/39/96/439483996.db2.gz XORVNISEGAWFEL-MAUKXSAKSA-N 1 2 348.399 0.952 20 30 ECEDLO COC[C@@]1(C(=O)OC)CCC[N@H+]1C[C@H](O)COc1ccccc1C#N ZINC000599475007 439483999 /nfs/dbraw/zinc/48/39/99/439483999.db2.gz XORVNISEGAWFEL-MAUKXSAKSA-N 1 2 348.399 0.952 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2nncn2C)CC1 ZINC000594026732 439510645 /nfs/dbraw/zinc/51/06/45/439510645.db2.gz NYLQJNONAMYJDC-XJKSGUPXSA-N 1 2 333.440 0.380 20 30 ECEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000599532306 439500130 /nfs/dbraw/zinc/50/01/30/439500130.db2.gz GWRWMIXYZZPODQ-SNPRPXQTSA-N 1 2 333.388 0.368 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000571408699 439500685 /nfs/dbraw/zinc/50/06/85/439500685.db2.gz XKVMCRURBAESHL-KRWDZBQOSA-N 1 2 328.372 0.633 20 30 ECEDLO C=CCCn1cc(C[NH+]2CCC(C(=O)NCC(=O)OCC)CC2)nn1 ZINC000593966368 439502873 /nfs/dbraw/zinc/50/28/73/439502873.db2.gz BLNPVTZAYXJUEV-UHFFFAOYSA-N 1 2 349.435 0.746 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc2ncnn21 ZINC000542502952 439557997 /nfs/dbraw/zinc/55/79/97/439557997.db2.gz KPYLBIKLKHYRFC-UHFFFAOYSA-N 1 2 328.376 0.417 20 30 ECEDLO N#C[C@H]1CN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)CCO1 ZINC000609282049 439562272 /nfs/dbraw/zinc/56/22/72/439562272.db2.gz RTSZCDYAQLDRPU-AWEZNQCLSA-N 1 2 331.376 0.352 20 30 ECEDLO N#CCN1CCC(NC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000609337134 439565648 /nfs/dbraw/zinc/56/56/48/439565648.db2.gz VFACGXLQHRMXIF-UHFFFAOYSA-N 1 2 328.420 0.901 20 30 ECEDLO CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCN([C@H](C#N)C(C)C)CC2)CC1 ZINC000609485078 439571021 /nfs/dbraw/zinc/57/10/21/439571021.db2.gz IMLSAHYRYVIBCN-NVXWUHKLSA-N 1 2 349.479 0.231 20 30 ECEDLO CC(C)(C)n1nnc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)n1 ZINC000594577677 439579961 /nfs/dbraw/zinc/57/99/61/439579961.db2.gz ZEPDELVNCUQISZ-ZDUSSCGKSA-N 1 2 330.392 0.829 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CCN2CC[NH+](C3CCC3)CC2)nc1 ZINC000584553102 439599744 /nfs/dbraw/zinc/59/97/44/439599744.db2.gz GEMMFYJPKYAWKP-UHFFFAOYSA-N 1 2 334.445 0.897 20 30 ECEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594754522 439602375 /nfs/dbraw/zinc/60/23/75/439602375.db2.gz LPUHQZDMLSNCNG-UHFFFAOYSA-N 1 2 326.378 0.919 20 30 ECEDLO N#Cc1ccc(CNC(=O)C(=O)NCCCn2cc[nH+]c2)c(F)c1 ZINC000585683082 439643074 /nfs/dbraw/zinc/64/30/74/439643074.db2.gz WAXMFYOMYZDGPT-UHFFFAOYSA-N 1 2 329.335 0.717 20 30 ECEDLO Cc1ncc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2nccn2C)cc1C#N ZINC000595111453 439654780 /nfs/dbraw/zinc/65/47/80/439654780.db2.gz KPBAMKUVLLDKGF-AWEZNQCLSA-N 1 2 346.416 0.330 20 30 ECEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000595127067 439658194 /nfs/dbraw/zinc/65/81/94/439658194.db2.gz ZBRCCWMDXGEEEH-NEPJUHHUSA-N 1 2 348.378 0.861 20 30 ECEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000595127067 439658198 /nfs/dbraw/zinc/65/81/98/439658198.db2.gz ZBRCCWMDXGEEEH-NEPJUHHUSA-N 1 2 348.378 0.861 20 30 ECEDLO Cc1nc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)ccc1C#N ZINC000595156304 439663459 /nfs/dbraw/zinc/66/34/59/439663459.db2.gz VRBCPRWZFDVBBB-AWEZNQCLSA-N 1 2 343.387 0.133 20 30 ECEDLO N#Cc1ccc(CNC(=O)C(=O)N2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000586860860 439665368 /nfs/dbraw/zinc/66/53/68/439665368.db2.gz SMDABOMGSKQETE-UHFFFAOYSA-N 1 2 330.363 0.620 20 30 ECEDLO C[C@H](NC(=O)C(=O)N(C)CC[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000587715133 439669680 /nfs/dbraw/zinc/66/96/80/439669680.db2.gz DYYZQCBLXLTVQH-AWEZNQCLSA-N 1 2 344.415 0.526 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(CO)on3)CC2)cc1 ZINC000600945577 439714115 /nfs/dbraw/zinc/71/41/15/439714115.db2.gz LWOCARLUHDJIHU-UHFFFAOYSA-N 1 2 326.356 0.997 20 30 ECEDLO N#Cc1cccc(C2(NC(=O)CN3CC[NH2+]CC3=O)CCOCC2)c1 ZINC000595258259 439683501 /nfs/dbraw/zinc/68/35/01/439683501.db2.gz TTYZFTRZLCUTHC-UHFFFAOYSA-N 1 2 342.399 0.112 20 30 ECEDLO N#Cc1ccnc(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)c1 ZINC000600683032 439688556 /nfs/dbraw/zinc/68/85/56/439688556.db2.gz PCDIATXTIBYDQF-MRXNPFEDSA-N 1 2 337.383 0.979 20 30 ECEDLO N#Cc1ccnc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)c1 ZINC000600683032 439688559 /nfs/dbraw/zinc/68/85/59/439688559.db2.gz PCDIATXTIBYDQF-MRXNPFEDSA-N 1 2 337.383 0.979 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)ccn1 ZINC000600682504 439689293 /nfs/dbraw/zinc/68/92/93/439689293.db2.gz NIBVNGGMKRWOFK-QGZVFWFLSA-N 1 2 337.383 0.979 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)ccn1 ZINC000600682504 439689295 /nfs/dbraw/zinc/68/92/95/439689295.db2.gz NIBVNGGMKRWOFK-QGZVFWFLSA-N 1 2 337.383 0.979 20 30 ECEDLO CN1CC[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000613866133 439765184 /nfs/dbraw/zinc/76/51/84/439765184.db2.gz GYMBNKAQNCFMQV-MRXNPFEDSA-N 1 2 326.400 0.681 20 30 ECEDLO Cc1nc(N2CCN(C(=O)NC3CCN(CC#N)CC3)CC2)cc[nH+]1 ZINC000612771760 439740307 /nfs/dbraw/zinc/74/03/07/439740307.db2.gz MADQJSNRSKQSDX-UHFFFAOYSA-N 1 2 343.435 0.605 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C)n2C)CC1 ZINC000647356046 440042324 /nfs/dbraw/zinc/04/23/24/440042324.db2.gz HKZQINAXUPJSSR-UONOGXRCSA-N 1 2 348.451 0.132 20 30 ECEDLO C=CCCn1cc(C[NH+]2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nn1 ZINC000653567540 440209965 /nfs/dbraw/zinc/20/99/65/440209965.db2.gz OGXMSTZUTZOJOL-MRXNPFEDSA-N 1 2 332.408 0.664 20 30 ECEDLO CC#CC[C@H](CO)NC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000637528300 440294096 /nfs/dbraw/zinc/29/40/96/440294096.db2.gz NTTRVEBQAIHHNB-SJORKVTESA-N 1 2 346.431 0.356 20 30 ECEDLO CC#CC[C@H](CO)NC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000637528300 440294102 /nfs/dbraw/zinc/29/41/02/440294102.db2.gz NTTRVEBQAIHHNB-SJORKVTESA-N 1 2 346.431 0.356 20 30 ECEDLO C=C[C@H](CO)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000662110690 440969627 /nfs/dbraw/zinc/96/96/27/440969627.db2.gz BEYFIKSKCJGQRH-IAGOWNOFSA-N 1 2 332.448 0.649 20 30 ECEDLO C=C[C@H](CO)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000662110690 440969632 /nfs/dbraw/zinc/96/96/32/440969632.db2.gz BEYFIKSKCJGQRH-IAGOWNOFSA-N 1 2 332.448 0.649 20 30 ECEDLO CC#CC[NH2+]Cc1cn(Cc2cccc(S(=O)(=O)N(C)C)c2)nn1 ZINC000630611199 440926249 /nfs/dbraw/zinc/92/62/49/440926249.db2.gz BNZBPFHHNNROTP-UHFFFAOYSA-N 1 2 347.444 0.690 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)NCCOc2cccc(C)c2)nn1 ZINC000640858360 441007669 /nfs/dbraw/zinc/00/76/69/441007669.db2.gz ZINAXJQRUJMJTA-UHFFFAOYSA-N 1 2 341.415 0.895 20 30 ECEDLO C[C@@H]1CN(C(=O)C[NH+]2CCN(c3cnccc3C#N)CC2)C[C@H](C)O1 ZINC000565339926 322450173 /nfs/dbraw/zinc/45/01/73/322450173.db2.gz DEAOXBJOBHJDNJ-GASCZTMLSA-N 1 2 343.431 0.711 20 30 ECEDLO CC(C)NC(=O)C(=O)N1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000177992186 529116158 /nfs/dbraw/zinc/11/61/58/529116158.db2.gz PJENOAPENNQVRQ-MRXNPFEDSA-N 1 2 344.415 0.260 20 30 ECEDLO CC1(C)C[N@H+](CCNC(=O)C#Cc2ccc3c(c2)OCO3)CCO1 ZINC000178074085 529117255 /nfs/dbraw/zinc/11/72/55/529117255.db2.gz ZLXWEJYYXUROHL-UHFFFAOYSA-N 1 2 330.384 0.994 20 30 ECEDLO CC1(C)C[N@@H+](CCNC(=O)C#Cc2ccc3c(c2)OCO3)CCO1 ZINC000178074085 529117259 /nfs/dbraw/zinc/11/72/59/529117259.db2.gz ZLXWEJYYXUROHL-UHFFFAOYSA-N 1 2 330.384 0.994 20 30 ECEDLO O=C(CN1CCCCC1=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000329029865 546012686 /nfs/dbraw/zinc/01/26/86/546012686.db2.gz PHJVQYNVSGFUAA-UHFFFAOYSA-N 1 2 346.435 0.568 20 30 ECEDLO CN1CC[N@H+](C)C[C@@H]1CNC(=O)CCS(=O)(=O)C1CCCC1 ZINC000329420047 546024402 /nfs/dbraw/zinc/02/44/02/546024402.db2.gz FBFRUOBOFGFVAS-ZDUSSCGKSA-N 1 2 331.482 0.936 20 30 ECEDLO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CCS(=O)(=O)C1CCCC1 ZINC000329420047 546024407 /nfs/dbraw/zinc/02/44/07/546024407.db2.gz FBFRUOBOFGFVAS-ZDUSSCGKSA-N 1 2 331.482 0.936 20 30 ECEDLO Cc1cccn2cc(CCNS(=O)(=O)N3CCO[C@@H](C#N)C3)[nH+]c12 ZINC000619711315 546360728 /nfs/dbraw/zinc/36/07/28/546360728.db2.gz FABQNJIEBWGFRF-AWEZNQCLSA-N 1 2 349.416 0.244 20 30 ECEDLO C=C[C@@H](C(=O)OC)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000619718174 546363454 /nfs/dbraw/zinc/36/34/54/546363454.db2.gz CBYXBQIBCSAPLK-AWEZNQCLSA-N 1 2 347.419 0.163 20 30 ECEDLO C=CC[C@H]1CC[N@@H+](CC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000625702499 547205167 /nfs/dbraw/zinc/20/51/67/547205167.db2.gz GQCCACVEOUFJLB-GJZGRUSLSA-N 1 2 344.477 0.547 20 30 ECEDLO C=CC[C@H]1CC[N@H+](CC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000625702499 547205172 /nfs/dbraw/zinc/20/51/72/547205172.db2.gz GQCCACVEOUFJLB-GJZGRUSLSA-N 1 2 344.477 0.547 20 30 ECEDLO C=C[C@@H](O)C(=O)N1CC[NH+](CCNC(=O)c2ccc(OC)cc2)CC1 ZINC000668486706 547664525 /nfs/dbraw/zinc/66/45/25/547664525.db2.gz NQULZMGOTAYEOV-MRXNPFEDSA-N 1 2 347.415 0.116 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)Cc2[nH]cc[nH+]2)nc1 ZINC001078035003 782185188 /nfs/dbraw/zinc/18/51/88/782185188.db2.gz HYMBTUHSXITVCU-LBPRGKRZSA-N 1 2 325.372 0.653 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(N(C)C(C)=O)cc2)CC1 ZINC000749874423 579344185 /nfs/dbraw/zinc/34/41/85/579344185.db2.gz PWWHGIZUOFDSJS-UHFFFAOYSA-N 1 2 329.400 0.826 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2cccc(-c3nnco3)c2)CC1 ZINC000749875008 579344230 /nfs/dbraw/zinc/34/42/30/579344230.db2.gz SQPVJQIGRPWYDC-UHFFFAOYSA-N 1 2 326.356 0.893 20 30 ECEDLO Cn1cc(C#N)c(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)n1 ZINC000750613872 579355485 /nfs/dbraw/zinc/35/54/85/579355485.db2.gz RCFWYKGJRUMXPF-UHFFFAOYSA-N 1 2 344.379 0.464 20 30 ECEDLO CCOC(=O)c1ccc(S(=O)(=O)NN=Cc2c[nH+]cn2C)cc1 ZINC000755800717 579439221 /nfs/dbraw/zinc/43/92/21/579439221.db2.gz AKUZRYKOGPKHRC-UHFFFAOYSA-N 1 2 336.373 0.909 20 30 ECEDLO COCCOCCON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000758761441 579481243 /nfs/dbraw/zinc/48/12/43/579481243.db2.gz LTHHRNHKBGFXAW-UHFFFAOYSA-N 1 2 337.420 0.819 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cn1 ZINC000728858346 578291483 /nfs/dbraw/zinc/29/14/83/578291483.db2.gz LRVUMWBBSDXQIP-UHFFFAOYSA-N 1 2 347.382 0.702 20 30 ECEDLO C#CCOc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cc1 ZINC000731129227 578310590 /nfs/dbraw/zinc/31/05/90/578310590.db2.gz JJFPCRSVKLQGDV-AWEZNQCLSA-N 1 2 345.399 0.474 20 30 ECEDLO C#CCOc1ccc(NC(=O)C(=O)NCC[N@H+]2CCO[C@@H](C)C2)cc1 ZINC000731129227 578310591 /nfs/dbraw/zinc/31/05/91/578310591.db2.gz JJFPCRSVKLQGDV-AWEZNQCLSA-N 1 2 345.399 0.474 20 30 ECEDLO C=C(Br)C[NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1 ZINC000735398635 578383608 /nfs/dbraw/zinc/38/36/08/578383608.db2.gz MNSRPKSBXGEGJM-UHFFFAOYSA-N 1 2 335.169 0.908 20 30 ECEDLO C#CCC[C@H](O)CNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000798359882 578644674 /nfs/dbraw/zinc/64/46/74/578644674.db2.gz PJZXWLIGVBVRRV-ZBFHGGJFSA-N 1 2 346.431 0.880 20 30 ECEDLO C=C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)C(=O)OC ZINC000799977989 578672528 /nfs/dbraw/zinc/67/25/28/578672528.db2.gz SQVZKPVVSRJDJJ-SNVBAGLBSA-N 1 2 344.355 0.865 20 30 ECEDLO CCN(CC)S(=O)(=O)c1ccc(N[NH+]=Cc2cnc(N)nc2)nc1 ZINC000781583141 578711910 /nfs/dbraw/zinc/71/19/10/578711910.db2.gz CSRRINKYPPMBTC-UHFFFAOYSA-N 1 2 349.420 0.930 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@@H]1CCCO1 ZINC000788846389 578844304 /nfs/dbraw/zinc/84/43/04/578844304.db2.gz HPPDRHIEEXNAJU-GJZGRUSLSA-N 1 2 344.415 0.175 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(O)c(F)c2)CC1 ZINC000767968327 579119653 /nfs/dbraw/zinc/11/96/53/579119653.db2.gz NJKCVHPWAYSYHN-UHFFFAOYSA-N 1 2 333.363 0.429 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(O)c(F)c2)CC1 ZINC000767968327 579119655 /nfs/dbraw/zinc/11/96/55/579119655.db2.gz NJKCVHPWAYSYHN-UHFFFAOYSA-N 1 2 333.363 0.429 20 30 ECEDLO N#CC1(CS(=O)(=O)NC2CC[NH+](CC(N)=O)CC2)CCCCC1 ZINC000772373316 579204332 /nfs/dbraw/zinc/20/43/32/579204332.db2.gz WXFNOGJVKPDSTQ-UHFFFAOYSA-N 1 2 342.465 0.330 20 30 ECEDLO C#C[C@@H](NC(=O)NCc1ccc[nH+]c1N1CCOCC1)[C@H]1CCCO1 ZINC000773168035 579221739 /nfs/dbraw/zinc/22/17/39/579221739.db2.gz YKGXKCDSAOPFPV-HZPDHXFCSA-N 1 2 344.415 0.898 20 30 ECEDLO C#C[C@H](NC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)[C@H]1CCCO1 ZINC000773553178 579229837 /nfs/dbraw/zinc/22/98/37/579229837.db2.gz BIGCSJNZXGEFAP-VNQPRFMTSA-N 1 2 348.447 0.162 20 30 ECEDLO C#C[C@@H](NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)[C@@H]1CCCO1 ZINC000776236218 579278424 /nfs/dbraw/zinc/27/84/24/579278424.db2.gz ZLQWSOGZWTXOSW-CABCVRRESA-N 1 2 329.404 0.797 20 30 ECEDLO C[C@@H]1CN(C(=O)C[NH+]2CCN(c3cccc(C#N)n3)CC2)CCO1 ZINC000760910171 579517229 /nfs/dbraw/zinc/51/72/29/579517229.db2.gz BSJOYVLIYNCODH-CQSZACIVSA-N 1 2 329.404 0.323 20 30 ECEDLO COc1ccsc1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000764660019 579579232 /nfs/dbraw/zinc/57/92/32/579579232.db2.gz SOOLPUVEKHSERJ-UHFFFAOYSA-N 1 2 328.463 0.887 20 30 ECEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000741288002 579770882 /nfs/dbraw/zinc/77/08/82/579770882.db2.gz LRCXJXWPWYNLNA-SHACYNPGSA-N 1 2 349.456 0.848 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)CC1 ZINC000744422496 579809279 /nfs/dbraw/zinc/80/92/79/579809279.db2.gz YYFFKPLSGZPMMD-KBXCAEBGSA-N 1 2 346.431 0.265 20 30 ECEDLO N#CCn1cc(NC(=O)C(=O)NCCCNc2cccc[nH+]2)cn1 ZINC000746364279 579836933 /nfs/dbraw/zinc/83/69/33/579836933.db2.gz GLBXNXNFLLXHDE-UHFFFAOYSA-N 1 2 327.348 0.359 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2nnnn2Cc2ccccc2)CC1 ZINC000891617477 586182398 /nfs/dbraw/zinc/18/23/98/586182398.db2.gz XHAITZCEUWDTRF-UHFFFAOYSA-N 1 2 341.419 0.146 20 30 ECEDLO CN(CCC#N)c1ccc(C[NH+]2CC(O)(c3ncnn3C)C2)cc1 ZINC000895621181 586193564 /nfs/dbraw/zinc/19/35/64/586193564.db2.gz VXHUVLCTYSLWMR-UHFFFAOYSA-N 1 2 326.404 0.868 20 30 ECEDLO C#CCNS(=O)(=O)N1CCN(Cc2c[nH+]c3cccc(C)n23)CC1 ZINC000895915978 586212631 /nfs/dbraw/zinc/21/26/31/586212631.db2.gz RIAZHFJXWDRUFM-UHFFFAOYSA-N 1 2 347.444 0.228 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc3c(c2)C[C@@H](C)O3)CC1 ZINC000895917689 586212637 /nfs/dbraw/zinc/21/26/37/586212637.db2.gz HLYCSDTWKZLHAN-CQSZACIVSA-N 1 2 349.456 0.595 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000895915783 586212639 /nfs/dbraw/zinc/21/26/39/586212639.db2.gz KEKJXKOZJWKVIJ-ONEGZZNKSA-N 1 2 337.420 0.924 20 30 ECEDLO CN1CCN(c2cc(NCc3nc(C#N)cs3)[nH+]cn2)CC1=O ZINC000896931014 586278785 /nfs/dbraw/zinc/27/87/85/586278785.db2.gz VNTAMUMMUBZRBB-UHFFFAOYSA-N 1 2 329.389 0.695 20 30 ECEDLO CN1CCN(c2cc(NCc3nc(C#N)cs3)nc[nH+]2)CC1=O ZINC000896931014 586278787 /nfs/dbraw/zinc/27/87/87/586278787.db2.gz VNTAMUMMUBZRBB-UHFFFAOYSA-N 1 2 329.389 0.695 20 30 ECEDLO N#Cc1ccc(OCC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)cc1 ZINC000899052617 586465031 /nfs/dbraw/zinc/46/50/31/586465031.db2.gz HDNYMQGSWUUBHR-UHFFFAOYSA-N 1 2 331.372 0.502 20 30 ECEDLO N#Cc1ccc(OCC(=O)NCC[N@H+]2CCC3(C2)OCCO3)cc1 ZINC000899052617 586465032 /nfs/dbraw/zinc/46/50/32/586465032.db2.gz HDNYMQGSWUUBHR-UHFFFAOYSA-N 1 2 331.372 0.502 20 30 ECEDLO C/C(=C/C(=O)N1CCN([C@H](C#N)C(C)C)CC1)C[NH+]1CCOCC1 ZINC000900481420 586635099 /nfs/dbraw/zinc/63/50/99/586635099.db2.gz YLFHRGICAODKNN-TXQCQQFXSA-N 1 2 334.464 0.957 20 30 ECEDLO C#C[C@@H](NC(=O)c1cccn1CC[NH+]1CCOCC1)[C@@H]1CCCO1 ZINC000907489348 586723269 /nfs/dbraw/zinc/72/32/69/586723269.db2.gz YAYDWQBKTJAAAH-WBVHZDCISA-N 1 2 331.416 0.731 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@H](F)C3)CC2)o1 ZINC000902997238 586764896 /nfs/dbraw/zinc/76/48/96/586764896.db2.gz RPXQCVVQBQFWLR-ZDUSSCGKSA-N 1 2 335.383 0.937 20 30 ECEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@H](F)C3)CC2)o1 ZINC000902997238 586764898 /nfs/dbraw/zinc/76/48/98/586764898.db2.gz RPXQCVVQBQFWLR-ZDUSSCGKSA-N 1 2 335.383 0.937 20 30 ECEDLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cnn(CC#N)c2)C1 ZINC000757262296 586880159 /nfs/dbraw/zinc/88/01/59/586880159.db2.gz YERMPAFXMLYOMW-OAHLLOKOSA-N 1 2 338.371 0.648 20 30 ECEDLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cnn(CC#N)c2)C1 ZINC000757262296 586880161 /nfs/dbraw/zinc/88/01/61/586880161.db2.gz YERMPAFXMLYOMW-OAHLLOKOSA-N 1 2 338.371 0.648 20 30 ECEDLO COCC[C@@H]1CCCC1=NNC(=S)NCC[NH+]1CCOCC1 ZINC000799868349 586960461 /nfs/dbraw/zinc/96/04/61/586960461.db2.gz NHFNTORZQJMLSU-ZDUSSCGKSA-N 1 2 328.482 0.975 20 30 ECEDLO Cc1cc(C(=O)NCC(=O)NCC[NH+]2CCOCC2)cc(C)c1C#N ZINC000906651722 586961568 /nfs/dbraw/zinc/96/15/68/586961568.db2.gz VTYKAFSIJYVAHV-UHFFFAOYSA-N 1 2 344.415 0.353 20 30 ECEDLO Cc1cc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc(C)c1C#N ZINC000906929376 586995128 /nfs/dbraw/zinc/99/51/28/586995128.db2.gz MPVMHWGPQDUWNI-INIZCTEOSA-N 1 2 331.416 0.940 20 30 ECEDLO CC(C)CNC(=O)NC(=O)C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000801552906 586998977 /nfs/dbraw/zinc/99/89/77/586998977.db2.gz VXAIGGVBRLYHNZ-UHFFFAOYSA-N 1 2 344.419 0.557 20 30 ECEDLO N#C[C@]1(C(=O)N(CCO)CC[NH+]2CCOCC2)CC2CCC1CC2 ZINC000907071750 587012166 /nfs/dbraw/zinc/01/21/66/587012166.db2.gz ZGFWCYSZARLRTM-LEOMRAHMSA-N 1 2 335.448 0.860 20 30 ECEDLO C#Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCC3(C2)OCCO3)cc1 ZINC000907401156 587040980 /nfs/dbraw/zinc/04/09/80/587040980.db2.gz BOTSNTRMXKWNLA-UHFFFAOYSA-N 1 2 336.413 0.395 20 30 ECEDLO C#Cc1ccc(S(=O)(=O)NCC[N@H+]2CCC3(C2)OCCO3)cc1 ZINC000907401156 587040982 /nfs/dbraw/zinc/04/09/82/587040982.db2.gz BOTSNTRMXKWNLA-UHFFFAOYSA-N 1 2 336.413 0.395 20 30 ECEDLO C=CCN1CCN(CN2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)C1=O ZINC000840026595 587080070 /nfs/dbraw/zinc/08/00/70/587080070.db2.gz WDPPCDIKIHKCDF-INIZCTEOSA-N 1 2 349.479 0.496 20 30 ECEDLO C#Cc1cncc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC000806786699 587107983 /nfs/dbraw/zinc/10/79/83/587107983.db2.gz SQXDKQAPWZIZDD-UHFFFAOYSA-N 1 2 325.372 0.844 20 30 ECEDLO C#CCCCNC(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000806909933 587110774 /nfs/dbraw/zinc/11/07/74/587110774.db2.gz HOBUUFPRWCTMGS-HNNXBMFYSA-N 1 2 328.416 0.816 20 30 ECEDLO C#Cc1cccc(CNC(=O)C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000817843431 587388743 /nfs/dbraw/zinc/38/87/43/587388743.db2.gz XEHZOMIWTBHGCJ-HNNXBMFYSA-N 1 2 343.427 0.463 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C)CC1 ZINC000818091274 587401898 /nfs/dbraw/zinc/40/18/98/587401898.db2.gz JFTQCZVNLORUTC-QGZVFWFLSA-N 1 2 333.436 0.611 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000819702268 587486713 /nfs/dbraw/zinc/48/67/13/587486713.db2.gz WGSFKPOHXJZFAC-CYBMUJFWSA-N 1 2 339.403 0.127 20 30 ECEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CCN(O)C3=O)cn2c1 ZINC000820185246 587515463 /nfs/dbraw/zinc/51/54/63/587515463.db2.gz LDUHEQKJNSODMW-LBPRGKRZSA-N 1 2 334.401 0.982 20 30 ECEDLO C#C[C@H](NC(=O)N(CCO)CC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000820483471 587537393 /nfs/dbraw/zinc/53/73/93/587537393.db2.gz HAKLOCMFIKXDBG-KRWDZBQOSA-N 1 2 349.406 0.836 20 30 ECEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@H]2CCCN(O)C2=O)cc1 ZINC000823160279 587706597 /nfs/dbraw/zinc/70/65/97/587706597.db2.gz CAARAZWDTYDNHO-LSDHHAIUSA-N 1 2 333.388 0.766 20 30 ECEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@H]2CCCN(O)C2=O)cc1 ZINC000823160279 587706598 /nfs/dbraw/zinc/70/65/98/587706598.db2.gz CAARAZWDTYDNHO-LSDHHAIUSA-N 1 2 333.388 0.766 20 30 ECEDLO C=CCN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)[C@@H](C)COC ZINC000824851022 587898241 /nfs/dbraw/zinc/89/82/41/587898241.db2.gz WNPRSLZZFZQLTQ-XHSDSOJGSA-N 1 2 326.437 0.916 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2c(Br)nc3n2CCC3)CC1 ZINC000825560835 587949912 /nfs/dbraw/zinc/94/99/12/587949912.db2.gz QUBQMQZEXKSRIG-UHFFFAOYSA-N 1 2 337.221 0.983 20 30 ECEDLO N#CCCNC(=O)C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826382168 588036957 /nfs/dbraw/zinc/03/69/57/588036957.db2.gz RCSLTNIDQJCSIK-UHFFFAOYSA-N 1 2 337.387 0.986 20 30 ECEDLO N#CCCNC(=O)C[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826382168 588036959 /nfs/dbraw/zinc/03/69/59/588036959.db2.gz RCSLTNIDQJCSIK-UHFFFAOYSA-N 1 2 337.387 0.986 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cn2cc(C3CC3)cn2)CC1 ZINC000826551290 588069387 /nfs/dbraw/zinc/06/93/87/588069387.db2.gz ZQCZSMRLMKENJK-UHFFFAOYSA-N 1 2 343.431 0.044 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cn2cc(C3CC3)cn2)CC1 ZINC000826551290 588069389 /nfs/dbraw/zinc/06/93/89/588069389.db2.gz ZQCZSMRLMKENJK-UHFFFAOYSA-N 1 2 343.431 0.044 20 30 ECEDLO C#CCCN(CCOC)C(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000826946474 588091268 /nfs/dbraw/zinc/09/12/68/588091268.db2.gz HNUOBDNRMOMYMQ-UHFFFAOYSA-N 1 2 332.404 0.262 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3cc[nH]n3)n2C[C@@H]2CCCO2)CC1 ZINC000829594973 588331426 /nfs/dbraw/zinc/33/14/26/588331426.db2.gz YVTJLTFYQMIRIV-AWEZNQCLSA-N 1 2 341.419 0.602 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3COCCO3)n2CC2CC2)CC1 ZINC000831045159 588401418 /nfs/dbraw/zinc/40/14/18/588401418.db2.gz PTTKVDHVEFNLCU-HNNXBMFYSA-N 1 2 331.420 0.531 20 30 ECEDLO C[C@H](NC(=O)C[N@H+](C)C[C@H](O)c1cccc(C#N)c1)C(=O)N(C)C ZINC000844370737 589109409 /nfs/dbraw/zinc/10/94/09/589109409.db2.gz SXPROCZSEZXUOI-WFASDCNBSA-N 1 2 332.404 0.116 20 30 ECEDLO C[C@H](NC(=O)C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1)C(=O)N(C)C ZINC000844370737 589109411 /nfs/dbraw/zinc/10/94/11/589109411.db2.gz SXPROCZSEZXUOI-WFASDCNBSA-N 1 2 332.404 0.116 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(C(=O)OC)c2OC)CC1 ZINC000844616265 589113987 /nfs/dbraw/zinc/11/39/87/589113987.db2.gz HTXYMDRDHQNRBR-UHFFFAOYSA-N 1 2 345.399 0.671 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000846200538 589191274 /nfs/dbraw/zinc/19/12/74/589191274.db2.gz HDKYBJCOENXOJG-JKSUJKDBSA-N 1 2 330.432 0.838 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000846200538 589191275 /nfs/dbraw/zinc/19/12/75/589191275.db2.gz HDKYBJCOENXOJG-JKSUJKDBSA-N 1 2 330.432 0.838 20 30 ECEDLO CCN1C[C@H](C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)OC1=O ZINC000846870326 589227423 /nfs/dbraw/zinc/22/74/23/589227423.db2.gz XOASCZWRBUDUID-ZDUSSCGKSA-N 1 2 332.408 0.563 20 30 ECEDLO C#C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000847026662 589233218 /nfs/dbraw/zinc/23/32/18/589233218.db2.gz GIVVTZOOWBCLGE-ZNMIVQPWSA-N 1 2 326.462 0.756 20 30 ECEDLO C#C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000847026662 589233219 /nfs/dbraw/zinc/23/32/19/589233219.db2.gz GIVVTZOOWBCLGE-ZNMIVQPWSA-N 1 2 326.462 0.756 20 30 ECEDLO C#C[C@H]1CCCN(C(=O)N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1 ZINC000847350824 589243402 /nfs/dbraw/zinc/24/34/02/589243402.db2.gz UYTATJUCHBHGJD-LSDHHAIUSA-N 1 2 343.431 0.966 20 30 ECEDLO C[NH+](C)CCNC(=O)C[C@H]1S/C(=N/C2CCCCC2)NC1=O ZINC000106898489 589251532 /nfs/dbraw/zinc/25/15/32/589251532.db2.gz BWTUQXMCBREZPX-GFCCVEGCSA-N 1 2 326.466 0.975 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc3c(c2)CCN(C)C3=O)CC1 ZINC000849319231 589325482 /nfs/dbraw/zinc/32/54/82/589325482.db2.gz PHLDWEOCQZQSPL-UHFFFAOYSA-N 1 2 340.427 0.504 20 30 ECEDLO N#CCC1(COC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000849766345 589349038 /nfs/dbraw/zinc/34/90/38/589349038.db2.gz GGEIWELFHGGMKU-AWEZNQCLSA-N 1 2 335.404 0.404 20 30 ECEDLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC000852593638 589502608 /nfs/dbraw/zinc/50/26/08/589502608.db2.gz MWTZMZBSCKOLBI-XHSDSOJGSA-N 1 2 336.413 0.833 20 30 ECEDLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC000852593638 589502609 /nfs/dbraw/zinc/50/26/09/589502609.db2.gz MWTZMZBSCKOLBI-XHSDSOJGSA-N 1 2 336.413 0.833 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1ccnn1CC1CC1 ZINC000853263365 589539173 /nfs/dbraw/zinc/53/91/73/589539173.db2.gz IQZNKJSTQLMGLT-UHFFFAOYSA-N 1 2 336.465 0.423 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)CN2CCCC2=O)c1 ZINC000111684267 589563520 /nfs/dbraw/zinc/56/35/20/589563520.db2.gz KFWAKJOGJMDWOZ-MRXNPFEDSA-N 1 2 329.400 0.522 20 30 ECEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)CN2CCCC2=O)c1 ZINC000111684267 589563521 /nfs/dbraw/zinc/56/35/21/589563521.db2.gz KFWAKJOGJMDWOZ-MRXNPFEDSA-N 1 2 329.400 0.522 20 30 ECEDLO C#C[C@H](CC)NC(=O)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000854079790 589570571 /nfs/dbraw/zinc/57/05/71/589570571.db2.gz HGTZUGWZQLCDRF-IEBWSBKVSA-N 1 2 345.443 0.961 20 30 ECEDLO C#C[C@H](CC)NC(=O)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000854079790 589570573 /nfs/dbraw/zinc/57/05/73/589570573.db2.gz HGTZUGWZQLCDRF-IEBWSBKVSA-N 1 2 345.443 0.961 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(C)S(=O)(=O)c2ccccc2)CC1 ZINC000112920156 589616946 /nfs/dbraw/zinc/61/69/46/589616946.db2.gz IXZOCEPJKPEORB-UHFFFAOYSA-N 1 2 335.429 0.085 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000112920951 589617782 /nfs/dbraw/zinc/61/77/82/589617782.db2.gz CETYZFLPGFFXKU-UHFFFAOYSA-N 1 2 326.400 0.956 20 30 ECEDLO N#CCCNC(=O)C[NH+]1CCN(c2ccc(F)cc2C(N)=O)CC1 ZINC000856810356 589676648 /nfs/dbraw/zinc/67/66/48/589676648.db2.gz MWGPLRCQRKCJKL-UHFFFAOYSA-N 1 2 333.367 0.076 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)CC1 ZINC000859890176 589721410 /nfs/dbraw/zinc/72/14/10/589721410.db2.gz JIIWXDQNAWXDHH-HNNXBMFYSA-N 1 2 329.404 0.097 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)CC1 ZINC000859890176 589721413 /nfs/dbraw/zinc/72/14/13/589721413.db2.gz JIIWXDQNAWXDHH-HNNXBMFYSA-N 1 2 329.404 0.097 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000859944163 589730240 /nfs/dbraw/zinc/73/02/40/589730240.db2.gz QMRKIQGXVUEDKM-KRWDZBQOSA-N 1 2 345.443 0.987 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000858355180 589743885 /nfs/dbraw/zinc/74/38/85/589743885.db2.gz IOFPUJIIDKYRBG-UONOGXRCSA-N 1 2 347.419 0.249 20 30 ECEDLO N#Cc1ccc(N2CCN(C(=O)/C=C/C[NH+]3CCOCC3)CC2)cn1 ZINC000867936525 589864121 /nfs/dbraw/zinc/86/41/21/589864121.db2.gz CMMRUMXISMIRAJ-OWOJBTEDSA-N 1 2 341.415 0.490 20 30 ECEDLO N#C[C@]1(C(=O)N2Cc3ccc[nH+]c3N3C[C@H](O)C[C@H]3C2)CCCOC1 ZINC000869349663 589960936 /nfs/dbraw/zinc/96/09/36/589960936.db2.gz YAHWVXSFBAYTIZ-HDMKZQKVSA-N 1 2 342.399 0.684 20 30 ECEDLO C=CCOc1cccnc1C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870063200 589994791 /nfs/dbraw/zinc/99/47/91/589994791.db2.gz JNCQCALCNLLFHM-HNNXBMFYSA-N 1 2 347.415 0.820 20 30 ECEDLO COc1cccc([C@@H]2CN(C(=O)Cn3cnc(C#N)n3)CC[NH2+]2)c1 ZINC000870150194 590003590 /nfs/dbraw/zinc/00/35/90/590003590.db2.gz JWSKXUOJHCLHMV-AWEZNQCLSA-N 1 2 326.360 0.331 20 30 ECEDLO C#CCN1C(=O)C[C@@H]([N@H+]2Cc3ccccc3[C@@H](C(=O)OC)C2)C1=O ZINC000864351405 590076801 /nfs/dbraw/zinc/07/68/01/590076801.db2.gz RRDIEWBDAFOIFS-LSDHHAIUSA-N 1 2 326.352 0.520 20 30 ECEDLO C#CCN1C(=O)C[C@@H]([N@@H+]2Cc3ccccc3[C@@H](C(=O)OC)C2)C1=O ZINC000864351405 590076803 /nfs/dbraw/zinc/07/68/03/590076803.db2.gz RRDIEWBDAFOIFS-LSDHHAIUSA-N 1 2 326.352 0.520 20 30 ECEDLO S=C(NCC[NH+]1CCOCC1)NN=C1CCCc2ncccc21 ZINC000872329205 590114861 /nfs/dbraw/zinc/11/48/61/590114861.db2.gz LSAHKJGZVHVESB-UHFFFAOYSA-N 1 2 333.461 0.918 20 30 ECEDLO CCO[C@@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)[C@@H]1CCOC1 ZINC000865070811 590123121 /nfs/dbraw/zinc/12/31/21/590123121.db2.gz XDSFWJVSOFYFLJ-HZPDHXFCSA-N 1 2 339.436 0.502 20 30 ECEDLO CCOC(=O)[C@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)C(C)C ZINC000874258340 590228732 /nfs/dbraw/zinc/22/87/32/590228732.db2.gz JBLRVGFESLUNGA-HNNXBMFYSA-N 1 2 339.436 0.896 20 30 ECEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000874345475 590232926 /nfs/dbraw/zinc/23/29/26/590232926.db2.gz FXPXIIULMZFXLN-HNNXBMFYSA-N 1 2 330.388 0.724 20 30 ECEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000874345475 590232927 /nfs/dbraw/zinc/23/29/27/590232927.db2.gz FXPXIIULMZFXLN-HNNXBMFYSA-N 1 2 330.388 0.724 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000875055027 590265738 /nfs/dbraw/zinc/26/57/38/590265738.db2.gz KQQZYMOFMPHIFF-CQSZACIVSA-N 1 2 341.371 0.038 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000875082316 590269017 /nfs/dbraw/zinc/26/90/17/590269017.db2.gz FRZQVTLHECKZFX-HNNXBMFYSA-N 1 2 344.415 0.321 20 30 ECEDLO C=CCOCCCNC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000875455714 590303013 /nfs/dbraw/zinc/30/30/13/590303013.db2.gz SHZCHRAXFKYJML-MRXNPFEDSA-N 1 2 331.416 0.998 20 30 ECEDLO C=CCOCCCNC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000875455714 590303015 /nfs/dbraw/zinc/30/30/15/590303015.db2.gz SHZCHRAXFKYJML-MRXNPFEDSA-N 1 2 331.416 0.998 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000875596365 590311804 /nfs/dbraw/zinc/31/18/04/590311804.db2.gz LLIKIMOYLUUGNK-KBPBESRZSA-N 1 2 332.404 0.281 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000879757510 590341470 /nfs/dbraw/zinc/34/14/70/590341470.db2.gz CPMNLHOYLDYWLC-CQSZACIVSA-N 1 2 338.452 0.967 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000879757510 590341471 /nfs/dbraw/zinc/34/14/71/590341471.db2.gz CPMNLHOYLDYWLC-CQSZACIVSA-N 1 2 338.452 0.967 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)O[C@H](C)C2)CC1 ZINC000880058325 590363989 /nfs/dbraw/zinc/36/39/89/590363989.db2.gz WAMXBESPXPHXSA-ZIAGYGMSSA-N 1 2 347.381 0.806 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)O[C@H](C)C2)CC1 ZINC000880058325 590363993 /nfs/dbraw/zinc/36/39/93/590363993.db2.gz WAMXBESPXPHXSA-ZIAGYGMSSA-N 1 2 347.381 0.806 20 30 ECEDLO C=C[C@@](C)(O)c1cn(CC(=O)N2CC[NH+](Cc3ccco3)CC2)nn1 ZINC000881287883 590445559 /nfs/dbraw/zinc/44/55/59/590445559.db2.gz YVMIGNSMLWCSGK-QGZVFWFLSA-N 1 2 345.403 0.609 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)Cc2cc(OC)ns2)CC1 ZINC000881811475 590476103 /nfs/dbraw/zinc/47/61/03/590476103.db2.gz BQNCBQQZPXNNSI-UHFFFAOYSA-N 1 2 329.447 0.622 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000126965483 590506726 /nfs/dbraw/zinc/50/67/26/590506726.db2.gz UTZFMMWDMMHSRS-QGZVFWFLSA-N 1 2 328.416 0.511 20 30 ECEDLO C#CC[N@H+](C[C@H]1CCC2(CCOCC2)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000878236848 590508295 /nfs/dbraw/zinc/50/82/95/590508295.db2.gz CADJXHOWNGTRMQ-HUUCEWRRSA-N 1 2 327.446 0.837 20 30 ECEDLO C#CC[N@@H+](C[C@H]1CCC2(CCOCC2)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000878236848 590508297 /nfs/dbraw/zinc/50/82/97/590508297.db2.gz CADJXHOWNGTRMQ-HUUCEWRRSA-N 1 2 327.446 0.837 20 30 ECEDLO C#CC[N@H+](C[C@@H]1CC2(CO1)CCOCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000878237705 590508554 /nfs/dbraw/zinc/50/85/54/590508554.db2.gz ORUBDBZGNFIBMY-CABCVRRESA-N 1 2 327.446 0.694 20 30 ECEDLO C#CC[N@@H+](C[C@@H]1CC2(CO1)CCOCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000878237705 590508555 /nfs/dbraw/zinc/50/85/55/590508555.db2.gz ORUBDBZGNFIBMY-CABCVRRESA-N 1 2 327.446 0.694 20 30 ECEDLO C=CC[N@@H+](C[C@@H](O)CC1(CO)CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000878241269 590508892 /nfs/dbraw/zinc/50/88/92/590508892.db2.gz DAJDJTSLMOYAKK-GJZGRUSLSA-N 1 2 331.478 0.965 20 30 ECEDLO C=CC[N@H+](C[C@@H](O)CC1(CO)CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000878241269 590508894 /nfs/dbraw/zinc/50/88/94/590508894.db2.gz DAJDJTSLMOYAKK-GJZGRUSLSA-N 1 2 331.478 0.965 20 30 ECEDLO C[C@@H]1C[N@H+](CCOC(=O)CNC(=O)c2ccc(C#N)cc2)CCO1 ZINC000800158757 590722523 /nfs/dbraw/zinc/72/25/23/590722523.db2.gz DPWAIOGWZYQFNW-CYBMUJFWSA-N 1 2 331.372 0.552 20 30 ECEDLO C[C@@H]1C[N@@H+](CCOC(=O)CNC(=O)c2ccc(C#N)cc2)CCO1 ZINC000800158757 590722526 /nfs/dbraw/zinc/72/25/26/590722526.db2.gz DPWAIOGWZYQFNW-CYBMUJFWSA-N 1 2 331.372 0.552 20 30 ECEDLO C[C@@H]1C[N@H+](CCOC(=O)CCNC(=O)C2N=CC=CC2=O)CCO1 ZINC000800172794 590723593 /nfs/dbraw/zinc/72/35/93/590723593.db2.gz CENPBSIKDXPUCL-KXEGMRRWSA-N 1 2 337.376 0.167 20 30 ECEDLO C[C@@H]1C[N@@H+](CCOC(=O)CCNC(=O)C2N=CC=CC2=O)CCO1 ZINC000800172794 590723597 /nfs/dbraw/zinc/72/35/97/590723597.db2.gz CENPBSIKDXPUCL-KXEGMRRWSA-N 1 2 337.376 0.167 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc(C)c(C(=O)OC)o2)C1 ZINC000885508042 590728905 /nfs/dbraw/zinc/72/89/05/590728905.db2.gz BOADCHMSJSPVRT-GFCCVEGCSA-N 1 2 340.401 0.751 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(C)c(C(=O)OC)o2)C1 ZINC000885508042 590728910 /nfs/dbraw/zinc/72/89/10/590728910.db2.gz BOADCHMSJSPVRT-GFCCVEGCSA-N 1 2 340.401 0.751 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)OC)nc2)C1 ZINC000885512343 590729840 /nfs/dbraw/zinc/72/98/40/590729840.db2.gz VEWBSNSILPXDOT-LBPRGKRZSA-N 1 2 337.401 0.244 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)OC)nc2)C1 ZINC000885512343 590729844 /nfs/dbraw/zinc/72/98/44/590729844.db2.gz VEWBSNSILPXDOT-LBPRGKRZSA-N 1 2 337.401 0.244 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC000885511730 590729962 /nfs/dbraw/zinc/72/99/62/590729962.db2.gz LWMOSMPDDDLJDF-CYBMUJFWSA-N 1 2 347.444 0.653 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC000885511730 590729967 /nfs/dbraw/zinc/72/99/67/590729967.db2.gz LWMOSMPDDDLJDF-CYBMUJFWSA-N 1 2 347.444 0.653 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccsc2C(=O)OC)C1 ZINC000885513955 590730488 /nfs/dbraw/zinc/73/04/88/590730488.db2.gz LBABNORQWWMSAE-LLVKDONJSA-N 1 2 342.442 0.911 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccsc2C(=O)OC)C1 ZINC000885513955 590730492 /nfs/dbraw/zinc/73/04/92/590730492.db2.gz LBABNORQWWMSAE-LLVKDONJSA-N 1 2 342.442 0.911 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000884231970 590783775 /nfs/dbraw/zinc/78/37/75/590783775.db2.gz FRPONMBZVRBKIA-MNOVXSKESA-N 1 2 337.342 0.528 20 30 ECEDLO N#C[C@]12CN(C(=O)[C@@H]3CC[N@@H+]3C3CCCC3)C[C@@H]1CS(=O)(=O)C2 ZINC000886210149 590815387 /nfs/dbraw/zinc/81/53/87/590815387.db2.gz HSNFMGNSCWYIQV-IVMMDQJWSA-N 1 2 337.445 0.400 20 30 ECEDLO N#C[C@]12CN(C(=O)[C@@H]3CC[N@H+]3C3CCCC3)C[C@@H]1CS(=O)(=O)C2 ZINC000886210149 590815389 /nfs/dbraw/zinc/81/53/89/590815389.db2.gz HSNFMGNSCWYIQV-IVMMDQJWSA-N 1 2 337.445 0.400 20 30 ECEDLO N#Cc1c2c(cn(C[NH+]3CCC(O)(COCCO)CC3)c1=O)CCC2 ZINC000884476823 590839012 /nfs/dbraw/zinc/83/90/12/590839012.db2.gz BRIMMDDSYIZQEA-UHFFFAOYSA-N 1 2 347.415 0.002 20 30 ECEDLO C=CCC1(O)CC[NH+](CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)CC1 ZINC000884478752 590839529 /nfs/dbraw/zinc/83/95/29/590839529.db2.gz LIMXZIYHXJOEEY-OAHLLOKOSA-N 1 2 346.431 0.698 20 30 ECEDLO C#CCC1(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCC1 ZINC000886790248 590882954 /nfs/dbraw/zinc/88/29/54/590882954.db2.gz XNUPMHJQYFSTIP-HNNXBMFYSA-N 1 2 333.432 0.229 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)NCc2nnc(-c3ccncc3)[nH]2)C1 ZINC000889247681 591046140 /nfs/dbraw/zinc/04/61/40/591046140.db2.gz SJJHVCBGWQVZRM-AWEZNQCLSA-N 1 2 339.403 0.764 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2nnc(-c3ccncc3)[nH]2)C1 ZINC000889247681 591046143 /nfs/dbraw/zinc/04/61/43/591046143.db2.gz SJJHVCBGWQVZRM-AWEZNQCLSA-N 1 2 339.403 0.764 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2n[nH]c(-c3ccncc3)n2)C1 ZINC000889247681 591046151 /nfs/dbraw/zinc/04/61/51/591046151.db2.gz SJJHVCBGWQVZRM-AWEZNQCLSA-N 1 2 339.403 0.764 20 30 ECEDLO C#CCN(C)c1cnc(-c2noc([C@H]3C[N@@H+](C)C[C@H](C)O3)n2)cn1 ZINC000924060033 611384218 /nfs/dbraw/zinc/38/42/18/611384218.db2.gz ASWVLOYMZKDWBJ-WCQYABFASA-N 1 2 328.376 0.988 20 30 ECEDLO C#CCN(C)c1cnc(-c2noc([C@H]3C[N@H+](C)C[C@H](C)O3)n2)cn1 ZINC000924060033 611384222 /nfs/dbraw/zinc/38/42/22/611384222.db2.gz ASWVLOYMZKDWBJ-WCQYABFASA-N 1 2 328.376 0.988 20 30 ECEDLO N#Cc1cc(C(=O)NC2CCN(C(=O)CCn3cc[nH+]c3)CC2)c[nH]1 ZINC000947574677 611603140 /nfs/dbraw/zinc/60/31/40/611603140.db2.gz XTEDCDGNZCICER-UHFFFAOYSA-N 1 2 340.387 0.894 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@]3(CC)CCNC3=O)CC2)C1 ZINC000949389356 608665359 /nfs/dbraw/zinc/66/53/59/608665359.db2.gz ZHBYQFLJVJLGHE-GOSISDBHSA-N 1 2 333.432 0.229 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@]3(CC)CCNC3=O)CC2)C1 ZINC000949389356 608665361 /nfs/dbraw/zinc/66/53/61/608665361.db2.gz ZHBYQFLJVJLGHE-GOSISDBHSA-N 1 2 333.432 0.229 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)CN3CCCCC3=O)CC2)C1 ZINC000949405697 608669910 /nfs/dbraw/zinc/66/99/10/608669910.db2.gz FUPRZVNLLYHTDY-UHFFFAOYSA-N 1 2 333.432 0.326 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)CN3CCCCC3=O)CC2)C1 ZINC000949405697 608669912 /nfs/dbraw/zinc/66/99/12/608669912.db2.gz FUPRZVNLLYHTDY-UHFFFAOYSA-N 1 2 333.432 0.326 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3cn(C)nn3)[C@@H](C)C2)c1 ZINC000947711759 611663178 /nfs/dbraw/zinc/66/31/78/611663178.db2.gz YELBUNANDOIKKJ-XJKSGUPXSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3cn(C)nn3)[C@@H](C)C2)c1 ZINC000947711759 611663179 /nfs/dbraw/zinc/66/31/79/611663179.db2.gz YELBUNANDOIKKJ-XJKSGUPXSA-N 1 2 338.415 0.974 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1Cc1cn(C)nn1 ZINC000947205316 608919557 /nfs/dbraw/zinc/91/95/57/608919557.db2.gz OUONLBGVJGJPTF-AAEUAGOBSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@H+]1Cc1cn(C)nn1 ZINC000947205316 608919558 /nfs/dbraw/zinc/91/95/58/608919558.db2.gz OUONLBGVJGJPTF-AAEUAGOBSA-N 1 2 327.392 0.798 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000937796096 609089595 /nfs/dbraw/zinc/08/95/95/609089595.db2.gz OJAUWGAMGZYNLF-ZDUSSCGKSA-N 1 2 340.387 0.583 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3nonc3C)[C@@H](C)C2)nn1 ZINC000947793163 611692881 /nfs/dbraw/zinc/69/28/81/611692881.db2.gz ZQZCKARRBZALGF-WCQYABFASA-N 1 2 345.407 0.938 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3nonc3C)[C@@H](C)C2)nn1 ZINC000947793163 611692883 /nfs/dbraw/zinc/69/28/83/611692883.db2.gz ZQZCKARRBZALGF-WCQYABFASA-N 1 2 345.407 0.938 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000938193697 609513092 /nfs/dbraw/zinc/51/30/92/609513092.db2.gz DYFYUVBKRMDRGG-ZNMIVQPWSA-N 1 2 332.404 0.581 20 30 ECEDLO Cc1cc(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)nn1-c1cccc(C#N)c1 ZINC000913546307 609686535 /nfs/dbraw/zinc/68/65/35/609686535.db2.gz MOXWDOKTHXNINN-MRXNPFEDSA-N 1 2 339.399 0.801 20 30 ECEDLO Cc1cc(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)nn1-c1cccc(C#N)c1 ZINC000913546307 609686536 /nfs/dbraw/zinc/68/65/36/609686536.db2.gz MOXWDOKTHXNINN-MRXNPFEDSA-N 1 2 339.399 0.801 20 30 ECEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCC#CCO)C2)cc1 ZINC000923761688 609688136 /nfs/dbraw/zinc/68/81/36/609688136.db2.gz VRNPPBTZWHYKKO-KRWDZBQOSA-N 1 2 331.416 0.491 20 30 ECEDLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NCC#CCO)C2)cc1 ZINC000923761688 609688137 /nfs/dbraw/zinc/68/81/37/609688137.db2.gz VRNPPBTZWHYKKO-KRWDZBQOSA-N 1 2 331.416 0.491 20 30 ECEDLO N#Cc1ncccc1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921322740 609703724 /nfs/dbraw/zinc/70/37/24/609703724.db2.gz XIKFZVRXJATOTN-AAEUAGOBSA-N 1 2 338.458 0.811 20 30 ECEDLO N#Cc1ncccc1S(=O)(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000921322740 609703725 /nfs/dbraw/zinc/70/37/25/609703725.db2.gz XIKFZVRXJATOTN-AAEUAGOBSA-N 1 2 338.458 0.811 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3cnsn3)n2CC2CC2)CC1 ZINC000910414767 609720177 /nfs/dbraw/zinc/72/01/77/609720177.db2.gz CLDOBKNIUSLGFO-UHFFFAOYSA-N 1 2 329.433 0.962 20 30 ECEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@H]1C ZINC000947824278 611708634 /nfs/dbraw/zinc/70/86/34/611708634.db2.gz GPCBYSTZANRKHF-OLZOCXBDSA-N 1 2 342.403 0.064 20 30 ECEDLO CC#CC[N@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@H]1C ZINC000947824278 611708637 /nfs/dbraw/zinc/70/86/37/611708637.db2.gz GPCBYSTZANRKHF-OLZOCXBDSA-N 1 2 342.403 0.064 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)Cc2csc(C#N)c2)C[C@H]1C ZINC000914191690 609864058 /nfs/dbraw/zinc/86/40/58/609864058.db2.gz CKVNHOBHSBUXQF-VXGBXAGGSA-N 1 2 343.474 0.836 20 30 ECEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)Cc2csc(C#N)c2)C[C@H]1C ZINC000914191690 609864060 /nfs/dbraw/zinc/86/40/60/609864060.db2.gz CKVNHOBHSBUXQF-VXGBXAGGSA-N 1 2 343.474 0.836 20 30 ECEDLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)CC(C)(C)C#N)CC1 ZINC000914214154 609865298 /nfs/dbraw/zinc/86/52/98/609865298.db2.gz XAHMNIJYMYNBDY-LBPRGKRZSA-N 1 2 331.438 0.435 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000938860904 610000286 /nfs/dbraw/zinc/00/02/86/610000286.db2.gz TXKWLYFXYGOZNA-MJBXVCDLSA-N 1 2 332.404 0.651 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)cn1 ZINC000938968169 610058542 /nfs/dbraw/zinc/05/85/42/610058542.db2.gz BKICAOUJWXUKOV-INIZCTEOSA-N 1 2 337.383 0.702 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](N(C)C(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC000938968653 610058761 /nfs/dbraw/zinc/05/87/61/610058761.db2.gz LWXNZRLOKGJQMZ-HNNXBMFYSA-N 1 2 337.383 0.702 20 30 ECEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000939304861 610156488 /nfs/dbraw/zinc/15/64/88/610156488.db2.gz ZNZOIZBBUYRRCV-GFCCVEGCSA-N 1 2 326.360 0.525 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4ncncc4C3)CC2)C1 ZINC000941433116 610313315 /nfs/dbraw/zinc/31/33/15/610313315.db2.gz NKVWLZWKDRKMTF-HNNXBMFYSA-N 1 2 339.443 0.043 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000940646777 610322411 /nfs/dbraw/zinc/32/24/11/610322411.db2.gz MQOYGBQATARXFI-UHFFFAOYSA-N 1 2 340.387 0.537 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(OCC)no3)CC2)C1 ZINC000941485194 610337876 /nfs/dbraw/zinc/33/78/76/610337876.db2.gz NEDAKGZYLIZVNM-UHFFFAOYSA-N 1 2 332.404 0.539 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ncoc3[C@H]3CCCO3)CC2)C1 ZINC000941513394 610352524 /nfs/dbraw/zinc/35/25/24/610352524.db2.gz ALDAASKHCXDMMT-OAHLLOKOSA-N 1 2 344.415 0.601 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cn3ccc(C)cc3=O)CC2)C1 ZINC000941590653 610387443 /nfs/dbraw/zinc/38/74/43/610387443.db2.gz UABXZBWEPVZXLH-UHFFFAOYSA-N 1 2 342.443 0.008 20 30 ECEDLO C=CC[NH+]1CC(N2CCN(C(=O)c3cnc(C4CC4)[nH]c3=O)CC2)C1 ZINC000941597005 610414472 /nfs/dbraw/zinc/41/44/72/610414472.db2.gz XLMNZRPDLNLLHW-UHFFFAOYSA-N 1 2 343.431 0.688 20 30 ECEDLO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)CC2)C1 ZINC000941632728 610418907 /nfs/dbraw/zinc/41/89/07/610418907.db2.gz PSVNGXNMXVEAAW-HNNXBMFYSA-N 1 2 343.475 0.919 20 30 ECEDLO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4[nH]cnc4C3)CC2)C1 ZINC000941632728 610418909 /nfs/dbraw/zinc/41/89/09/610418909.db2.gz PSVNGXNMXVEAAW-HNNXBMFYSA-N 1 2 343.475 0.919 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnn4c3C[C@@H](C)CC4)CC2)C1 ZINC000941654244 610429358 /nfs/dbraw/zinc/42/93/58/610429358.db2.gz FAKUJNFOCNTRGC-HNNXBMFYSA-N 1 2 341.459 0.541 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCN3C(=O)CCC)CC2)C1 ZINC000941677092 610450033 /nfs/dbraw/zinc/45/00/33/610450033.db2.gz KQNCWAUJOFZHJW-QGZVFWFLSA-N 1 2 346.475 0.239 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(COC)cc3)CC2)C1 ZINC000941664754 610456177 /nfs/dbraw/zinc/45/61/77/610456177.db2.gz DMCUZRQTGJOIGO-UHFFFAOYSA-N 1 2 327.428 0.908 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)n3nc(C)cc3C)CC2)C1 ZINC000941682173 610461368 /nfs/dbraw/zinc/46/13/68/610461368.db2.gz GNLMKIUYRUTXSQ-INIZCTEOSA-N 1 2 329.448 0.523 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)COc3ccc(F)c(F)c3)CC2)C1 ZINC000941685124 610463052 /nfs/dbraw/zinc/46/30/52/610463052.db2.gz SXVNGASDQGMEOJ-UHFFFAOYSA-N 1 2 349.381 0.805 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3csc(COC)n3)CC2)C1 ZINC000941685022 610463292 /nfs/dbraw/zinc/46/32/92/610463292.db2.gz NFXCAROLVRWOKS-UHFFFAOYSA-N 1 2 334.445 0.365 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000941725660 610473465 /nfs/dbraw/zinc/47/34/65/610473465.db2.gz NFIVCUMGZMAKSG-CVEARBPZSA-N 1 2 346.431 0.925 20 30 ECEDLO O=C(C#CC1CC1)N1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000940999446 610477704 /nfs/dbraw/zinc/47/77/04/610477704.db2.gz MZQWHZXOFSIUOO-HUUCEWRRSA-N 1 2 326.400 0.988 20 30 ECEDLO O=C(C#CC1CC1)N1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000940999446 610477705 /nfs/dbraw/zinc/47/77/05/610477705.db2.gz MZQWHZXOFSIUOO-HUUCEWRRSA-N 1 2 326.400 0.988 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)/C=C\C2CC2)C[C@H]1OC ZINC000942513165 610492604 /nfs/dbraw/zinc/49/26/04/610492604.db2.gz GDXSAEYJZDYWER-RDCZLPIASA-N 1 2 345.443 0.392 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)/C=C\C2CC2)C[C@H]1OC ZINC000942513165 610492606 /nfs/dbraw/zinc/49/26/06/610492606.db2.gz GDXSAEYJZDYWER-RDCZLPIASA-N 1 2 345.443 0.392 20 30 ECEDLO C#CC[N@@H+]1CC[C@H](NC(=O)C2CCS(=O)(=O)CC2)C(C)(C)C1 ZINC000941068781 610524906 /nfs/dbraw/zinc/52/49/06/610524906.db2.gz UMGYROXIUKPMHD-AWEZNQCLSA-N 1 2 326.462 0.661 20 30 ECEDLO C#CC[N@H+]1CC[C@H](NC(=O)C2CCS(=O)(=O)CC2)C(C)(C)C1 ZINC000941068781 610524908 /nfs/dbraw/zinc/52/49/08/610524908.db2.gz UMGYROXIUKPMHD-AWEZNQCLSA-N 1 2 326.462 0.661 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2CCCCN(C(=O)Cn3cc[nH+]c3)C2)[nH]1 ZINC000943200153 610745066 /nfs/dbraw/zinc/74/50/66/610745066.db2.gz PYTMZKGPDKOGOM-CQSZACIVSA-N 1 2 340.387 0.894 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](OC)C1 ZINC000944239740 610805053 /nfs/dbraw/zinc/80/50/53/610805053.db2.gz FKBISGSVISZDJT-ZIAGYGMSSA-N 1 2 334.420 0.815 20 30 ECEDLO C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945249809 610982113 /nfs/dbraw/zinc/98/21/13/610982113.db2.gz BTPHIOOJJPBDRY-TZMCWYRMSA-N 1 2 340.387 0.750 20 30 ECEDLO O=C(C#CC1CC1)N1CCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000944010621 611083263 /nfs/dbraw/zinc/08/32/63/611083263.db2.gz PBBPOFATYNPZAW-JKSUJKDBSA-N 1 2 340.427 0.966 20 30 ECEDLO O=C(C#CC1CC1)N1CCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000944010818 611083609 /nfs/dbraw/zinc/08/36/09/611083609.db2.gz XBLRUIXWMVFIFQ-HZPDHXFCSA-N 1 2 340.427 0.966 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@H]2[C@H](CCN2C(=O)C#CC2CC2)C1 ZINC000945991763 611184217 /nfs/dbraw/zinc/18/42/17/611184217.db2.gz JEJFIDPCPZAGHG-WBVHZDCISA-N 1 2 340.427 0.825 20 30 ECEDLO C#CC[NH+]1CCC(NC(=O)NCC2(S(=O)(=O)CC)CC2)CC1 ZINC000923329658 611229025 /nfs/dbraw/zinc/22/90/25/611229025.db2.gz NBSRVLLJNRDNST-UHFFFAOYSA-N 1 2 327.450 0.351 20 30 ECEDLO C#CC[NH+]1CCC(NC(=O)NCCS(=O)(=O)CC2CC2)CC1 ZINC000921519277 611245309 /nfs/dbraw/zinc/24/53/09/611245309.db2.gz DFURWGZRZVIFPW-UHFFFAOYSA-N 1 2 327.450 0.208 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)[nH]1 ZINC000950617488 611795054 /nfs/dbraw/zinc/79/50/54/611795054.db2.gz WTOLMVUIGBAADQ-CYBMUJFWSA-N 1 2 340.387 0.963 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCOC2(CC[NH+]([C@H](C)c3nncn3C)CC2)C1 ZINC000949053864 611830922 /nfs/dbraw/zinc/83/09/22/611830922.db2.gz MVZBFOHDODXVDS-ZIAGYGMSSA-N 1 2 346.435 0.729 20 30 ECEDLO O=C(C#CC1CC1)N1CCC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000950763861 611895743 /nfs/dbraw/zinc/89/57/43/611895743.db2.gz CSOBEHGTHPYGLA-CVEARBPZSA-N 1 2 340.427 0.966 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CC1)C[N@@H+]([C@@H]1CCCNC1=O)CCO2 ZINC000949320161 611937891 /nfs/dbraw/zinc/93/78/91/611937891.db2.gz GTNVZKKRTRVUOK-ZIAGYGMSSA-N 1 2 334.420 0.118 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CC1)C[N@H+]([C@@H]1CCCNC1=O)CCO2 ZINC000949320161 611937892 /nfs/dbraw/zinc/93/78/92/611937892.db2.gz GTNVZKKRTRVUOK-ZIAGYGMSSA-N 1 2 334.420 0.118 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@H]2CCN2C(=O)CCn2cc[nH+]c2)c[nH]1 ZINC000949485393 611999537 /nfs/dbraw/zinc/99/95/37/611999537.db2.gz FJGWLGJABGDBCP-CQSZACIVSA-N 1 2 326.360 0.504 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)CCc3cncn3C)CC2)C1 ZINC000949520435 612018867 /nfs/dbraw/zinc/01/88/67/612018867.db2.gz RXMWRNKGHRJCKE-UHFFFAOYSA-N 1 2 330.432 0.679 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)CCc3cncn3C)CC2)C1 ZINC000949520435 612018868 /nfs/dbraw/zinc/01/88/68/612018868.db2.gz RXMWRNKGHRJCKE-UHFFFAOYSA-N 1 2 330.432 0.679 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000950516906 612049186 /nfs/dbraw/zinc/04/91/86/612049186.db2.gz BAAPGWQGXYMTGR-CYBMUJFWSA-N 1 2 340.387 0.583 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000953197380 612200686 /nfs/dbraw/zinc/20/06/86/612200686.db2.gz UTVCDXPVLMYFJC-PBHICJAKSA-N 1 2 329.404 0.884 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000951510014 612283884 /nfs/dbraw/zinc/28/38/84/612283884.db2.gz BTPKHKLXJONMNK-ZDUSSCGKSA-N 1 2 340.387 0.881 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cnc(C)[nH]2)C1 ZINC000954631612 612470358 /nfs/dbraw/zinc/47/03/58/612470358.db2.gz ZTNYUFCLTPKVHD-HNNXBMFYSA-N 1 2 329.404 0.099 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cnc(C)[nH]2)C1 ZINC000954631612 612470361 /nfs/dbraw/zinc/47/03/61/612470361.db2.gz ZTNYUFCLTPKVHD-HNNXBMFYSA-N 1 2 329.404 0.099 20 30 ECEDLO O=C(C#CC1CC1)N1CCC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000956004180 612595813 /nfs/dbraw/zinc/59/58/13/612595813.db2.gz PBBPOFATYNPZAW-CVEARBPZSA-N 1 2 340.427 0.966 20 30 ECEDLO C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000956842795 612617159 /nfs/dbraw/zinc/61/71/59/612617159.db2.gz MIBXKIFDTQBJFJ-KRWDZBQOSA-N 1 2 340.387 0.963 20 30 ECEDLO C[C@]1(NC(=O)c2c[nH]c(C#N)c2)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000956842795 612617163 /nfs/dbraw/zinc/61/71/63/612617163.db2.gz MIBXKIFDTQBJFJ-KRWDZBQOSA-N 1 2 340.387 0.963 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000955629730 612718215 /nfs/dbraw/zinc/71/82/15/612718215.db2.gz RIPGVHBTJSWBPR-QWHCGFSZSA-N 1 2 340.387 0.892 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000955634099 612721196 /nfs/dbraw/zinc/72/11/96/612721196.db2.gz WSCXCDAKANGRCG-GXTWGEPZSA-N 1 2 340.387 0.892 20 30 ECEDLO CN(C(=O)Cc1c[nH+]cn1C)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000954834485 612727167 /nfs/dbraw/zinc/72/71/67/612727167.db2.gz BRLNWIGRCRTRMD-UHFFFAOYSA-N 1 2 326.360 0.145 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000955722950 612791788 /nfs/dbraw/zinc/79/17/88/612791788.db2.gz ADTAVMXLJFVUQM-JSGCOSHPSA-N 1 2 340.387 0.892 20 30 ECEDLO C=CCn1cc(C(=O)N(C)C2CN(C(=O)Cc3[nH]c[nH+]c3C)C2)nn1 ZINC000954307889 612840073 /nfs/dbraw/zinc/84/00/73/612840073.db2.gz HKOXZNZJQDSBKI-UHFFFAOYSA-N 1 2 343.391 0.021 20 30 ECEDLO CC(C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000956587552 612919371 /nfs/dbraw/zinc/91/93/71/612919371.db2.gz KOXPEXGVCBIYRL-OAHLLOKOSA-N 1 2 343.431 0.901 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CC(C)(C)O)CC2)C1 ZINC000956591837 612921032 /nfs/dbraw/zinc/92/10/32/612921032.db2.gz AAFORGMKTOQETA-ZIAGYGMSSA-N 1 2 336.436 0.052 20 30 ECEDLO CC(C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000956593511 612921274 /nfs/dbraw/zinc/92/12/74/612921274.db2.gz VUWIIVLUVYCRJW-INIZCTEOSA-N 1 2 343.431 0.901 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2nncc3ccccc32)[C@@H](n2ccnn2)C1 ZINC001069976676 790269892 /nfs/dbraw/zinc/26/98/92/790269892.db2.gz ZYGIGONKGPWBKG-CVEARBPZSA-N 1 2 347.382 0.510 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2nncc3ccccc32)[C@@H](n2ccnn2)C1 ZINC001069976676 790269895 /nfs/dbraw/zinc/26/98/95/790269895.db2.gz ZYGIGONKGPWBKG-CVEARBPZSA-N 1 2 347.382 0.510 20 30 ECEDLO COc1ccc(C[NH+]2CC([C@H](C)NC(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC000969463200 731910239 /nfs/dbraw/zinc/91/02/39/731910239.db2.gz LHEWUQWFVRDHPH-NSHDSACASA-N 1 2 340.387 0.935 20 30 ECEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(=O)NC(=O)NCC)C[C@H]1C ZINC001208963951 732437484 /nfs/dbraw/zinc/43/74/84/732437484.db2.gz PAKFLGFQOXEYER-CHWSQXEVSA-N 1 2 338.452 0.871 20 30 ECEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(=O)NC(=O)NCC)C[C@H]1C ZINC001208963951 732437486 /nfs/dbraw/zinc/43/74/86/732437486.db2.gz PAKFLGFQOXEYER-CHWSQXEVSA-N 1 2 338.452 0.871 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC000970146694 732981953 /nfs/dbraw/zinc/98/19/53/732981953.db2.gz RRHNMMQUFZJVOP-QXSJWSMHSA-N 1 2 344.415 0.745 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2c[nH+]c[nH]2)cn1 ZINC000970148798 732991151 /nfs/dbraw/zinc/99/11/51/732991151.db2.gz POEUQRJYJREFAM-CALCHBBNSA-N 1 2 349.394 0.844 20 30 ECEDLO COC(=O)[C@H]1CCS(=O)(=O)C12CN(c1ccc(CC#N)c(C)[nH+]1)C2 ZINC001167198645 733047419 /nfs/dbraw/zinc/04/74/19/733047419.db2.gz YGDNTIAVIGGFEN-CYBMUJFWSA-N 1 2 349.412 0.623 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3nc(C)no3)C2)nn1 ZINC000970206593 733201908 /nfs/dbraw/zinc/20/19/08/733201908.db2.gz YYPVUBGDXFNTRS-ZYHUDNBSSA-N 1 2 331.380 0.721 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(CC)o3)C2)nn1 ZINC000970223765 733234588 /nfs/dbraw/zinc/23/45/88/733234588.db2.gz AJAQDCDAIWPTPR-GFCCVEGCSA-N 1 2 345.407 0.804 20 30 ECEDLO Cc1nc(N2CCO[C@H](CNC(=O)CSCC#N)C2)c(C)c(C)[nH+]1 ZINC001104292475 734009234 /nfs/dbraw/zinc/00/92/34/734009234.db2.gz AUAZBJKKVCMHGY-CQSZACIVSA-N 1 2 349.460 0.980 20 30 ECEDLO CC(C)N(CCN(C)c1cnc(C#N)cn1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125439063 734071671 /nfs/dbraw/zinc/07/16/71/734071671.db2.gz JFEXHCZJRMAOIP-OAHLLOKOSA-N 1 2 346.435 0.352 20 30 ECEDLO CC(C)N(CCN(C)c1cnc(C#N)cn1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125439063 734071675 /nfs/dbraw/zinc/07/16/75/734071675.db2.gz JFEXHCZJRMAOIP-OAHLLOKOSA-N 1 2 346.435 0.352 20 30 ECEDLO CC(C)C#CC(=O)NC[C@@H]1CN(c2[nH+]cnc3c2cnn3C)CCO1 ZINC001104315000 734250855 /nfs/dbraw/zinc/25/08/55/734250855.db2.gz KGKFOMVYBFNERW-CYBMUJFWSA-N 1 2 342.403 0.344 20 30 ECEDLO N#Cc1cnccc1N1CCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001104326097 734322056 /nfs/dbraw/zinc/32/20/56/734322056.db2.gz DYSBCJPPRQIWAW-CYBMUJFWSA-N 1 2 326.360 0.240 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)CCc3nc[nH]n3)C2)C1=O ZINC000971302202 734431978 /nfs/dbraw/zinc/43/19/78/734431978.db2.gz ULQYMWDKBDZKLQ-KBPBESRZSA-N 1 2 346.435 0.057 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)CCc3nc[nH]n3)C2)C1=O ZINC000971302202 734431982 /nfs/dbraw/zinc/43/19/82/734431982.db2.gz ULQYMWDKBDZKLQ-KBPBESRZSA-N 1 2 346.435 0.057 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CCC[C@@H](C)C3)[C@H]2C1 ZINC001083216172 734459550 /nfs/dbraw/zinc/45/95/50/734459550.db2.gz LLPCNAKQJASPHT-OWCLPIDISA-N 1 2 333.432 0.180 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2OCCN(C(=O)C(=O)N3CCC[C@@H](C)C3)[C@H]2C1 ZINC001083216172 734459551 /nfs/dbraw/zinc/45/95/51/734459551.db2.gz LLPCNAKQJASPHT-OWCLPIDISA-N 1 2 333.432 0.180 20 30 ECEDLO N#Cc1ccc(N2CCO[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)nc1 ZINC001104350147 734523920 /nfs/dbraw/zinc/52/39/20/734523920.db2.gz POKMCNMXKNTBMT-AWEZNQCLSA-N 1 2 326.360 0.240 20 30 ECEDLO N#Cc1nccnc1N1CCO[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001104352728 734600175 /nfs/dbraw/zinc/60/01/75/734600175.db2.gz GJWOLYVAHYHOMK-CYBMUJFWSA-N 1 2 341.375 0.026 20 30 ECEDLO N#Cc1nccnc1N1CCO[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001104352728 734600177 /nfs/dbraw/zinc/60/01/77/734600177.db2.gz GJWOLYVAHYHOMK-CYBMUJFWSA-N 1 2 341.375 0.026 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CCCCN3C(C)=O)[C@H]2C1 ZINC001083221749 734820994 /nfs/dbraw/zinc/82/09/94/734820994.db2.gz QLPZUWCCKXVJBE-IXDOHACOSA-N 1 2 333.432 0.322 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CCCCN3C(C)=O)[C@H]2C1 ZINC001083221749 734820996 /nfs/dbraw/zinc/82/09/96/734820996.db2.gz QLPZUWCCKXVJBE-IXDOHACOSA-N 1 2 333.432 0.322 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000973192305 738882909 /nfs/dbraw/zinc/88/29/09/738882909.db2.gz LJXZRRNXJNJNOR-HAQNSBGRSA-N 1 2 326.360 0.240 20 30 ECEDLO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972206871 735786039 /nfs/dbraw/zinc/78/60/39/735786039.db2.gz LCNUITRXOCUENP-CABCVRRESA-N 1 2 345.378 0.411 20 30 ECEDLO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972206871 735786040 /nfs/dbraw/zinc/78/60/40/735786040.db2.gz LCNUITRXOCUENP-CABCVRRESA-N 1 2 345.378 0.411 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972206982 735786332 /nfs/dbraw/zinc/78/63/32/735786332.db2.gz MLVPVEKVIICSDG-NXEZZACHSA-N 1 2 331.214 0.109 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000972206982 735786335 /nfs/dbraw/zinc/78/63/35/735786335.db2.gz MLVPVEKVIICSDG-NXEZZACHSA-N 1 2 331.214 0.109 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972206983 735786497 /nfs/dbraw/zinc/78/64/97/735786497.db2.gz MLVPVEKVIICSDG-UWVGGRQHSA-N 1 2 331.214 0.109 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000972206983 735786498 /nfs/dbraw/zinc/78/64/98/735786498.db2.gz MLVPVEKVIICSDG-UWVGGRQHSA-N 1 2 331.214 0.109 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@]2(C)CCNC2=O)C1 ZINC000972322020 735941889 /nfs/dbraw/zinc/94/18/89/735941889.db2.gz YGMLZIOKTPLRJJ-RISCZKNCSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@]2(C)CCNC2=O)C1 ZINC000972322020 735941890 /nfs/dbraw/zinc/94/18/90/735941890.db2.gz YGMLZIOKTPLRJJ-RISCZKNCSA-N 1 2 344.253 0.954 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3ccnn3C)C2)C1 ZINC000972387738 736059692 /nfs/dbraw/zinc/05/96/92/736059692.db2.gz WPULAUQICYGOKV-YJBOKZPZSA-N 1 2 330.432 0.850 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3ccnn3C)C2)C1 ZINC000972387738 736059696 /nfs/dbraw/zinc/05/96/96/736059696.db2.gz WPULAUQICYGOKV-YJBOKZPZSA-N 1 2 330.432 0.850 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnn4c3CCC4)C2)C1 ZINC000972406182 736139484 /nfs/dbraw/zinc/13/94/84/736139484.db2.gz CNCNMDPUULQLQR-SFHVURJKSA-N 1 2 328.416 0.770 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnn4c3CCC4)C2)C1 ZINC000972406182 736139486 /nfs/dbraw/zinc/13/94/86/736139486.db2.gz CNCNMDPUULQLQR-SFHVURJKSA-N 1 2 328.416 0.770 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)S(C)(=O)=O)C2)C1 ZINC000972433898 736184167 /nfs/dbraw/zinc/18/41/67/736184167.db2.gz CQXBVFIZEZPRBY-UKRRQHHQSA-N 1 2 330.450 0.299 20 30 ECEDLO C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)S(C)(=O)=O)C2)C1 ZINC000972433898 736184169 /nfs/dbraw/zinc/18/41/69/736184169.db2.gz CQXBVFIZEZPRBY-UKRRQHHQSA-N 1 2 330.450 0.299 20 30 ECEDLO N#CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC000972437435 736192291 /nfs/dbraw/zinc/19/22/91/736192291.db2.gz KSEICWSGWMYGEB-YOEHRIQHSA-N 1 2 329.404 0.272 20 30 ECEDLO N#CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000972440354 736195816 /nfs/dbraw/zinc/19/58/16/736195816.db2.gz DTORMBFWVWPBNC-WMLDXEAASA-N 1 2 329.404 0.272 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCn4cncc4C3)C2)C1 ZINC000972439761 736198046 /nfs/dbraw/zinc/19/80/46/736198046.db2.gz XSEBQKLGIZUHBG-YJBOKZPZSA-N 1 2 330.432 0.935 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCn4cncc4C3)C2)C1 ZINC000972439761 736198047 /nfs/dbraw/zinc/19/80/47/736198047.db2.gz XSEBQKLGIZUHBG-YJBOKZPZSA-N 1 2 330.432 0.935 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC000972440414 736198560 /nfs/dbraw/zinc/19/85/60/736198560.db2.gz FODKVMJBPMCJCS-CXAGYDPISA-N 1 2 347.419 0.035 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC4N=NC(=O)N4C3)C2)C1 ZINC000972440414 736198562 /nfs/dbraw/zinc/19/85/62/736198562.db2.gz FODKVMJBPMCJCS-CXAGYDPISA-N 1 2 347.419 0.035 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)C2)C1 ZINC000972455982 736245267 /nfs/dbraw/zinc/24/52/67/736245267.db2.gz PDEDISLLKUUTOL-MJGOQNOKSA-N 1 2 347.459 0.572 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)C2)C1 ZINC000972455982 736245272 /nfs/dbraw/zinc/24/52/72/736245272.db2.gz PDEDISLLKUUTOL-MJGOQNOKSA-N 1 2 347.459 0.572 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccn(CCOC)n3)C2)C1 ZINC000972459580 736251577 /nfs/dbraw/zinc/25/15/77/736251577.db2.gz XJGKXSOLTGAGMB-KRWDZBQOSA-N 1 2 334.420 0.632 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccn(CCOC)n3)C2)C1 ZINC000972459580 736251581 /nfs/dbraw/zinc/25/15/81/736251581.db2.gz XJGKXSOLTGAGMB-KRWDZBQOSA-N 1 2 334.420 0.632 20 30 ECEDLO C[C@@H](CNc1ncnc2c1C[N@H+](C)CC2)N(C)C(=O)CSCC#N ZINC001104464318 736435883 /nfs/dbraw/zinc/43/58/83/736435883.db2.gz VBSMOHCBNVJPGE-LBPRGKRZSA-N 1 2 348.476 0.980 20 30 ECEDLO C[C@@H](CNc1ncnc2c1C[N@@H+](C)CC2)N(C)C(=O)CSCC#N ZINC001104464318 736435885 /nfs/dbraw/zinc/43/58/85/736435885.db2.gz VBSMOHCBNVJPGE-LBPRGKRZSA-N 1 2 348.476 0.980 20 30 ECEDLO CC(C)N(CCN(C)c1cnc(C#N)cn1)C(=O)Cc1c[nH+]c[nH]1 ZINC001125686935 736632541 /nfs/dbraw/zinc/63/25/41/736632541.db2.gz QDUHZFSRSYVMKJ-UHFFFAOYSA-N 1 2 327.392 0.987 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)c(C(N)=O)cn3)C2)C1 ZINC000972561067 736777968 /nfs/dbraw/zinc/77/79/68/736777968.db2.gz KVPZJFUPRKLZSB-GOSISDBHSA-N 1 2 344.415 0.592 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cc(C)c(C(N)=O)cn3)C2)C1 ZINC000972561067 736777971 /nfs/dbraw/zinc/77/79/71/736777971.db2.gz KVPZJFUPRKLZSB-GOSISDBHSA-N 1 2 344.415 0.592 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4cccnn43)C2)C1 ZINC000972581790 736937637 /nfs/dbraw/zinc/93/76/37/736937637.db2.gz CMZAVWFGMNHXCR-KRWDZBQOSA-N 1 2 327.388 0.832 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnc4cccnn43)C2)C1 ZINC000972581790 736937641 /nfs/dbraw/zinc/93/76/41/736937641.db2.gz CMZAVWFGMNHXCR-KRWDZBQOSA-N 1 2 327.388 0.832 20 30 ECEDLO C=CCOCC(=O)N(C)[C@H](C)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001104496124 736990348 /nfs/dbraw/zinc/99/03/48/736990348.db2.gz IYCAQEBQPCILBV-CYBMUJFWSA-N 1 2 333.436 0.926 20 30 ECEDLO C=CCOCC(=O)N(C)[C@H](C)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001104496124 736990350 /nfs/dbraw/zinc/99/03/50/736990350.db2.gz IYCAQEBQPCILBV-CYBMUJFWSA-N 1 2 333.436 0.926 20 30 ECEDLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000981971821 751386165 /nfs/dbraw/zinc/38/61/65/751386165.db2.gz DEOILNIRIDYKTG-SJORKVTESA-N 1 2 325.412 0.694 20 30 ECEDLO NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000981971821 751386169 /nfs/dbraw/zinc/38/61/69/751386169.db2.gz DEOILNIRIDYKTG-SJORKVTESA-N 1 2 325.412 0.694 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cn(CC4CC4)nn3)C2)C1 ZINC000972616744 737103811 /nfs/dbraw/zinc/10/38/11/737103811.db2.gz FYRXHBVGWQLNQD-KRWDZBQOSA-N 1 2 331.420 0.791 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cn(CC4CC4)nn3)C2)C1 ZINC000972616744 737103814 /nfs/dbraw/zinc/10/38/14/737103814.db2.gz FYRXHBVGWQLNQD-KRWDZBQOSA-N 1 2 331.420 0.791 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cn(CC4CC4)nn3)C2)C1 ZINC000972616745 737103827 /nfs/dbraw/zinc/10/38/27/737103827.db2.gz FYRXHBVGWQLNQD-QGZVFWFLSA-N 1 2 331.420 0.791 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cn(CC4CC4)nn3)C2)C1 ZINC000972616745 737103828 /nfs/dbraw/zinc/10/38/28/737103828.db2.gz FYRXHBVGWQLNQD-QGZVFWFLSA-N 1 2 331.420 0.791 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CC[C@@H](C)C3)C2)C1 ZINC000972632443 737172198 /nfs/dbraw/zinc/17/21/98/737172198.db2.gz SGFIOIQXLNVAGP-CRAIPNDOSA-N 1 2 333.432 0.181 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(=O)N3CC[C@@H](C)C3)C2)C1 ZINC000972632443 737172200 /nfs/dbraw/zinc/17/22/00/737172200.db2.gz SGFIOIQXLNVAGP-CRAIPNDOSA-N 1 2 333.432 0.181 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3nncn3C)C2)cn1 ZINC001023711226 737219389 /nfs/dbraw/zinc/21/93/89/737219389.db2.gz XQQUTCBAXSFBNG-AWEZNQCLSA-N 1 2 338.415 0.833 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3nncn3C)C2)cn1 ZINC001023711226 737219391 /nfs/dbraw/zinc/21/93/91/737219391.db2.gz XQQUTCBAXSFBNG-AWEZNQCLSA-N 1 2 338.415 0.833 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3c(C)n[nH]c3C)C2)C1 ZINC000972669426 737316276 /nfs/dbraw/zinc/31/62/76/737316276.db2.gz MRRJWIBLURZCIH-SFHVURJKSA-N 1 2 330.432 0.896 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3c(C)n[nH]c3C)C2)C1 ZINC000972669426 737316278 /nfs/dbraw/zinc/31/62/78/737316278.db2.gz MRRJWIBLURZCIH-SFHVURJKSA-N 1 2 330.432 0.896 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4c[nH]nc4C3)C2)C1 ZINC000972684344 737374717 /nfs/dbraw/zinc/37/47/17/737374717.db2.gz RPKYNYJDYJVHPQ-KSSFIOAISA-N 1 2 328.416 0.451 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4c[nH]nc4C3)C2)C1 ZINC000972684344 737374722 /nfs/dbraw/zinc/37/47/22/737374722.db2.gz RPKYNYJDYJVHPQ-KSSFIOAISA-N 1 2 328.416 0.451 20 30 ECEDLO N#CCN1CCCC[C@H]1CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001024576068 738122306 /nfs/dbraw/zinc/12/23/06/738122306.db2.gz PBSHQQAVTIIBPH-IRXDYDNUSA-N 1 2 334.464 0.982 20 30 ECEDLO N#CCN1CCCC[C@H]1CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001024576068 738122310 /nfs/dbraw/zinc/12/23/10/738122310.db2.gz PBSHQQAVTIIBPH-IRXDYDNUSA-N 1 2 334.464 0.982 20 30 ECEDLO C[C@H](C#N)C(=O)N(CCO)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001058661560 739962567 /nfs/dbraw/zinc/96/25/67/739962567.db2.gz ZJSCVHOUYZIETH-GFCCVEGCSA-N 1 2 329.360 0.045 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2c(F)cccc2F)[C@@H](n2ccnn2)C1 ZINC001070007896 790310213 /nfs/dbraw/zinc/31/02/13/790310213.db2.gz GFKLNTFPQSYOPG-CVEARBPZSA-N 1 2 345.353 0.774 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2c(F)cccc2F)[C@@H](n2ccnn2)C1 ZINC001070007896 790310218 /nfs/dbraw/zinc/31/02/18/790310218.db2.gz GFKLNTFPQSYOPG-CVEARBPZSA-N 1 2 345.353 0.774 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O)C1=COCCO1 ZINC001083322639 751516740 /nfs/dbraw/zinc/51/67/40/751516740.db2.gz RZUXIVCURHSNGX-CVEARBPZSA-N 1 2 328.368 0.088 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O)C1=COCCO1 ZINC001083322639 751516742 /nfs/dbraw/zinc/51/67/42/751516742.db2.gz RZUXIVCURHSNGX-CVEARBPZSA-N 1 2 328.368 0.088 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C3=COCCO3)C2)nn1 ZINC001098608038 740544115 /nfs/dbraw/zinc/54/41/15/740544115.db2.gz LKBZMKQTXNYORV-AWEZNQCLSA-N 1 2 331.376 0.053 20 30 ECEDLO C=CCOCC(=O)N(C)CCCN(C)c1ncnc2c1C[N@H+](C)CC2 ZINC001112052417 740550621 /nfs/dbraw/zinc/55/06/21/740550621.db2.gz MQRLPOVVPUVUFC-UHFFFAOYSA-N 1 2 347.463 0.952 20 30 ECEDLO C=CCOCC(=O)N(C)CCCN(C)c1ncnc2c1C[N@@H+](C)CC2 ZINC001112052417 740550623 /nfs/dbraw/zinc/55/06/23/740550623.db2.gz MQRLPOVVPUVUFC-UHFFFAOYSA-N 1 2 347.463 0.952 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N(C)[C@@H](C)CNc2ccnc(C#N)n2)c[nH+]1 ZINC001104864895 740751700 /nfs/dbraw/zinc/75/17/00/740751700.db2.gz SVJLCKCVMHGPSX-ZDUSSCGKSA-N 1 2 341.419 0.969 20 30 ECEDLO CC(C)C[C@H](CNc1ccnc(C#N)n1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001104956739 741031584 /nfs/dbraw/zinc/03/15/84/741031584.db2.gz JNEFFSQOPZUAFO-GFCCVEGCSA-N 1 2 327.392 0.679 20 30 ECEDLO C#CC[N@H+]1CCCC2(CN(C(=O)c3cn[nH]c3-c3cnn(C)c3)C2)C1 ZINC000982108931 751602033 /nfs/dbraw/zinc/60/20/33/751602033.db2.gz RDWDGNUTUGDWIJ-UHFFFAOYSA-N 1 2 338.415 0.981 20 30 ECEDLO C#CC[N@@H+]1CCCC2(CN(C(=O)c3cn[nH]c3-c3cnn(C)c3)C2)C1 ZINC000982108931 751602034 /nfs/dbraw/zinc/60/20/34/751602034.db2.gz RDWDGNUTUGDWIJ-UHFFFAOYSA-N 1 2 338.415 0.981 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000974179937 741063638 /nfs/dbraw/zinc/06/36/38/741063638.db2.gz IEOGPVCSLPTBIN-ZWUHOBOKSA-N 1 2 332.404 0.697 20 30 ECEDLO CC(C)C[C@H](CNc1ccnc(C#N)n1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001104997064 741120091 /nfs/dbraw/zinc/12/00/91/741120091.db2.gz LSJWBONRTFOXCO-CYBMUJFWSA-N 1 2 327.392 0.679 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCCc3ncc(C)o3)C2)nn1 ZINC001105256557 741571147 /nfs/dbraw/zinc/57/11/47/741571147.db2.gz JBFCCTBYHLEISY-UHFFFAOYSA-N 1 2 342.403 0.704 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CCC[C@@H](OC)C3)C2)nn1 ZINC001105259510 741580856 /nfs/dbraw/zinc/58/08/56/741580856.db2.gz BEDVIELQADDRRF-RHSMWYFYSA-N 1 2 345.447 0.980 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCO[C@H]3C(C)C)C2)nn1 ZINC001105259649 741581581 /nfs/dbraw/zinc/58/15/81/741581581.db2.gz HCCVHWFJQKMGRA-CVEARBPZSA-N 1 2 331.420 0.445 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)nn1 ZINC001105275128 741620814 /nfs/dbraw/zinc/62/08/14/741620814.db2.gz DJGVIYAMTDSDAA-UHFFFAOYSA-N 1 2 341.419 0.719 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccccc3COC)C2)nn1 ZINC001105276631 741630088 /nfs/dbraw/zinc/63/00/88/741630088.db2.gz MZYJIMQRWUCXDT-UHFFFAOYSA-N 1 2 339.399 0.844 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccc4n[nH]cc4c3)C2)nn1 ZINC001105281059 741640038 /nfs/dbraw/zinc/64/00/38/741640038.db2.gz RLPWUABKNJEDJJ-UHFFFAOYSA-N 1 2 349.398 0.503 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3cncc(C)c3)C2)nn1 ZINC001105292372 741656241 /nfs/dbraw/zinc/65/62/41/741656241.db2.gz MHNLLRVBGQMGCB-UHFFFAOYSA-N 1 2 338.415 0.720 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(n2cc(C[NH2+]CC(=O)NC3CC3)nn2)C1 ZINC001105297966 741676653 /nfs/dbraw/zinc/67/66/53/741676653.db2.gz ZKJATXNLDNOFEJ-UHFFFAOYSA-N 1 2 346.435 0.242 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)CC(F)(F)F)C2)nn1 ZINC001105318541 741763291 /nfs/dbraw/zinc/76/32/91/741763291.db2.gz DQVWVOWETFMPBT-JTQLQIEISA-N 1 2 329.326 0.973 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ncccn2)CC1(C)C ZINC000974688675 742008591 /nfs/dbraw/zinc/00/85/91/742008591.db2.gz BSXYVWSEOBMACR-JKSUJKDBSA-N 1 2 341.459 0.901 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ncccn2)CC1(C)C ZINC000974688675 742008596 /nfs/dbraw/zinc/00/85/96/742008596.db2.gz BSXYVWSEOBMACR-JKSUJKDBSA-N 1 2 341.459 0.901 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nncn2C)CC1(C)C ZINC000974706567 742084202 /nfs/dbraw/zinc/08/42/02/742084202.db2.gz VQWQHKYHKPHOPU-LSDHHAIUSA-N 1 2 344.463 0.239 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nncn2C)CC1(C)C ZINC000974706567 742084208 /nfs/dbraw/zinc/08/42/08/742084208.db2.gz VQWQHKYHKPHOPU-LSDHHAIUSA-N 1 2 344.463 0.239 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(CC)nc3C)C2)nn1 ZINC001105335357 742124286 /nfs/dbraw/zinc/12/42/86/742124286.db2.gz XSFWDCKJGBZCFG-UHFFFAOYSA-N 1 2 341.419 0.613 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(=O)N(C)C ZINC001114945555 742182289 /nfs/dbraw/zinc/18/22/89/742182289.db2.gz QJLPUXOVUPUGFQ-IWIIMEHWSA-N 1 2 330.226 0.420 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(=O)N(C)C ZINC001114945555 742182291 /nfs/dbraw/zinc/18/22/91/742182291.db2.gz QJLPUXOVUPUGFQ-IWIIMEHWSA-N 1 2 330.226 0.420 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCNC2=O)C(C)(C)C1 ZINC000974914850 742355181 /nfs/dbraw/zinc/35/51/81/742355181.db2.gz UOOWFQCKDOSZPR-GHMZBOCLSA-N 1 2 344.253 0.858 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCNC2=O)C(C)(C)C1 ZINC000974914850 742355186 /nfs/dbraw/zinc/35/51/86/742355186.db2.gz UOOWFQCKDOSZPR-GHMZBOCLSA-N 1 2 344.253 0.858 20 30 ECEDLO C#CCNCc1cn(C2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)nn1 ZINC001105336271 742356456 /nfs/dbraw/zinc/35/64/56/742356456.db2.gz BGOIBFKHEYIHRS-CYBMUJFWSA-N 1 2 327.392 0.232 20 30 ECEDLO Cn1nnc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)CC2(C)C)n1 ZINC000974951247 742386949 /nfs/dbraw/zinc/38/69/49/742386949.db2.gz UEPPDODWYSBHEG-CQSZACIVSA-N 1 2 339.403 0.722 20 30 ECEDLO Cn1nnc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC2(C)C)n1 ZINC000974951247 742386956 /nfs/dbraw/zinc/38/69/56/742386956.db2.gz UEPPDODWYSBHEG-CQSZACIVSA-N 1 2 339.403 0.722 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC000974979233 742406534 /nfs/dbraw/zinc/40/65/34/742406534.db2.gz HBAQIZDMVNUSQN-GZBFAFLISA-N 1 2 342.399 0.852 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000974980292 742430235 /nfs/dbraw/zinc/43/02/35/742430235.db2.gz DFXQBXJKKRCERT-CQSZACIVSA-N 1 2 330.388 0.379 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC000974980292 742430236 /nfs/dbraw/zinc/43/02/36/742430236.db2.gz DFXQBXJKKRCERT-CQSZACIVSA-N 1 2 330.388 0.379 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C(C)(C)C1 ZINC000975100818 742481263 /nfs/dbraw/zinc/48/12/63/742481263.db2.gz IEGPRXYLQKXQKC-UWVGGRQHSA-N 1 2 328.800 0.164 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C(C)(C)C1 ZINC000975100818 742481259 /nfs/dbraw/zinc/48/12/59/742481259.db2.gz IEGPRXYLQKXQKC-UWVGGRQHSA-N 1 2 328.800 0.164 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3cc(C)no3)C2)C1=O ZINC001006744814 751755302 /nfs/dbraw/zinc/75/53/02/751755302.db2.gz WXDQYOSBHSGYJI-KBPBESRZSA-N 1 2 332.404 0.964 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3cc(C)no3)C2)C1=O ZINC001006744814 751755308 /nfs/dbraw/zinc/75/53/08/751755308.db2.gz WXDQYOSBHSGYJI-KBPBESRZSA-N 1 2 332.404 0.964 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](Cc3cnn(CC)n3)C2)nc1 ZINC001028935624 742915187 /nfs/dbraw/zinc/91/51/87/742915187.db2.gz IVQRONUZIVHWMF-HNNXBMFYSA-N 1 2 338.415 0.926 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](Cc3cnn(CC)n3)C2)nc1 ZINC001028935624 742915193 /nfs/dbraw/zinc/91/51/93/742915193.db2.gz IVQRONUZIVHWMF-HNNXBMFYSA-N 1 2 338.415 0.926 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@H]2C1 ZINC000975968586 743435761 /nfs/dbraw/zinc/43/57/61/743435761.db2.gz PNJYAHIVTWHTPN-KKUMJFAQSA-N 1 2 329.404 0.882 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2csnn2)CC1 ZINC000997832822 743842626 /nfs/dbraw/zinc/84/26/26/743842626.db2.gz WSDRMNWLRRIHJO-INIZCTEOSA-N 1 2 347.488 0.964 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2[C@H]3CN(C(=O)CCc4[nH]cc[nH+]4)C[C@H]32)c[nH]1 ZINC000976408702 743919087 /nfs/dbraw/zinc/91/90/87/743919087.db2.gz PKNUXWYOXVUWFE-VIKVFOODSA-N 1 2 338.371 0.429 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnn(C(C)(C)C)n2)C1 ZINC001020604647 751891305 /nfs/dbraw/zinc/89/13/05/751891305.db2.gz ISZVATITKAXGJL-SYQHCUMBSA-N 1 2 348.451 0.756 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000976728517 744251498 /nfs/dbraw/zinc/25/14/98/744251498.db2.gz OMEABEDNGFMJFJ-XOBFJNJYSA-N 1 2 327.388 0.178 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000976729388 744252570 /nfs/dbraw/zinc/25/25/70/744252570.db2.gz QPZMBXOWOARVHO-XOBFJNJYSA-N 1 2 327.388 0.178 20 30 ECEDLO COCc1noc(C[NH2+][C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000998962770 744433398 /nfs/dbraw/zinc/43/33/98/744433398.db2.gz VDQFOJIXMLYBGJ-GFCCVEGCSA-N 1 2 344.375 0.810 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)CCn4cc[nH+]c4)C[C@H]32)cn1 ZINC000976912150 744487987 /nfs/dbraw/zinc/48/79/87/744487987.db2.gz FYFDNOBGWAXXHG-VQFNDLOPSA-N 1 2 349.394 0.536 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CCN1c1cncc(C#N)n1 ZINC001067543038 744722983 /nfs/dbraw/zinc/72/29/83/744722983.db2.gz RPBKQUKRGGNTHK-QWHCGFSZSA-N 1 2 325.376 0.718 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)C[C@@H]2C=CCC2)C1 ZINC001149137491 751957551 /nfs/dbraw/zinc/95/75/51/751957551.db2.gz PNTPWCFJMLOVKP-HZPDHXFCSA-N 1 2 333.432 0.299 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)C[C@@H]2C=CCC2)C1 ZINC001149137491 751957554 /nfs/dbraw/zinc/95/75/54/751957554.db2.gz PNTPWCFJMLOVKP-HZPDHXFCSA-N 1 2 333.432 0.299 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1C[N@@H+]([C@H](C)C(N)=O)CC1(C)C ZINC000977442748 744994477 /nfs/dbraw/zinc/99/44/77/744994477.db2.gz XMYGCHVJLAKUMU-TZMCWYRMSA-N 1 2 346.431 0.960 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1C[N@H+]([C@H](C)C(N)=O)CC1(C)C ZINC000977442748 744994482 /nfs/dbraw/zinc/99/44/82/744994482.db2.gz XMYGCHVJLAKUMU-TZMCWYRMSA-N 1 2 346.431 0.960 20 30 ECEDLO N#CCSCC(=O)N1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001059197286 745112238 /nfs/dbraw/zinc/11/22/38/745112238.db2.gz ARBNVOLKQVGKSP-LBPRGKRZSA-N 1 2 335.433 0.564 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001088569676 751977404 /nfs/dbraw/zinc/97/74/04/751977404.db2.gz FHGSEXZSTYMGGA-ABAIWWIYSA-N 1 2 343.366 0.463 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001088569676 751977411 /nfs/dbraw/zinc/97/74/11/751977411.db2.gz FHGSEXZSTYMGGA-ABAIWWIYSA-N 1 2 343.366 0.463 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)C3CCOCC3)C2)nn1 ZINC001105384510 745251496 /nfs/dbraw/zinc/25/14/96/745251496.db2.gz IXLOQBZYANARCN-CQSZACIVSA-N 1 2 345.447 0.837 20 30 ECEDLO CN(C[C@@H]1CCN1C(=O)Cc1c[nH+]cn1C)C(=O)c1ccc(C#N)[nH]1 ZINC000977609239 745264470 /nfs/dbraw/zinc/26/44/70/745264470.db2.gz XWPRQLIFDDOBOX-ZDUSSCGKSA-N 1 2 340.387 0.535 20 30 ECEDLO CN(C[C@H]1CCN1C(=O)Cc1[nH]cc[nH+]1)C(=O)c1ccc(C#N)[nH]1 ZINC000977610104 745266014 /nfs/dbraw/zinc/26/60/14/745266014.db2.gz ZGNSNWSYUBDCHO-GFCCVEGCSA-N 1 2 326.360 0.525 20 30 ECEDLO CN(C[C@H]1CCN1C(=O)Cc1c[nH+]c[nH]1)C(=O)c1ccc(C#N)[nH]1 ZINC000977600448 745282310 /nfs/dbraw/zinc/28/23/10/745282310.db2.gz NPPHRIAQLKHGDZ-CYBMUJFWSA-N 1 2 326.360 0.525 20 30 ECEDLO C#CCNCc1cn([C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)nn1 ZINC001098698463 745311868 /nfs/dbraw/zinc/31/18/68/745311868.db2.gz UQBQPATZHLKXLO-HNNXBMFYSA-N 1 2 327.392 0.061 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001027550905 745386834 /nfs/dbraw/zinc/38/68/34/745386834.db2.gz FEJMSMAGVDWHDX-GHMZBOCLSA-N 1 2 345.241 0.499 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001027550905 745386838 /nfs/dbraw/zinc/38/68/38/745386838.db2.gz FEJMSMAGVDWHDX-GHMZBOCLSA-N 1 2 345.241 0.499 20 30 ECEDLO CCc1nc(C#N)cc(N[C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001059250352 745415752 /nfs/dbraw/zinc/41/57/52/745415752.db2.gz RDCIDMOBWISQAV-HAQNSBGRSA-N 1 2 325.376 0.866 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3nc(C)no3)C2)nn1 ZINC001000401874 745477671 /nfs/dbraw/zinc/47/76/71/745477671.db2.gz GGLHWJLVLHGDKF-GFCCVEGCSA-N 1 2 331.380 0.550 20 30 ECEDLO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001000478137 745533393 /nfs/dbraw/zinc/53/33/93/745533393.db2.gz BEEFFEBXRKWXQY-GFCCVEGCSA-N 1 2 330.392 0.228 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)c[nH]1 ZINC001083414578 745545297 /nfs/dbraw/zinc/54/52/97/745545297.db2.gz KPFSVCORFGODRP-MSOLQXFVSA-N 1 2 334.379 0.713 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)c[nH]1 ZINC001083414578 745545300 /nfs/dbraw/zinc/54/53/00/745545300.db2.gz KPFSVCORFGODRP-MSOLQXFVSA-N 1 2 334.379 0.713 20 30 ECEDLO COc1cccc(C[N@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)n1 ZINC001083414679 745547315 /nfs/dbraw/zinc/54/73/15/745547315.db2.gz PHCNRDVXMXFXJJ-CABCVRRESA-N 1 2 341.371 0.265 20 30 ECEDLO COc1cccc(C[N@@H+]2C[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](O)C2)n1 ZINC001083414679 745547317 /nfs/dbraw/zinc/54/73/17/745547317.db2.gz PHCNRDVXMXFXJJ-CABCVRRESA-N 1 2 341.371 0.265 20 30 ECEDLO CC[C@@H](F)C(=O)N1CC[C@H](n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001098700341 745571466 /nfs/dbraw/zinc/57/14/66/745571466.db2.gz JOAYIRBPGPQERL-LSDHHAIUSA-N 1 2 337.399 0.539 20 30 ECEDLO CC[C@H](F)C(=O)N1CC[C@@H](n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001098700338 745571533 /nfs/dbraw/zinc/57/15/33/745571533.db2.gz JOAYIRBPGPQERL-CABCVRRESA-N 1 2 337.399 0.539 20 30 ECEDLO COCCN(CCNC(=O)Cc1c[nH]c[nH+]1)c1ccc(C#N)cn1 ZINC001126523200 745718546 /nfs/dbraw/zinc/71/85/46/745718546.db2.gz JARFMZBOKVFYHX-UHFFFAOYSA-N 1 2 328.376 0.488 20 30 ECEDLO CN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000984102768 745828957 /nfs/dbraw/zinc/82/89/57/745828957.db2.gz MLQZQDQXNZFSGH-CQSZACIVSA-N 1 2 340.387 0.915 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3cccnn3)CC2)C1=O ZINC000982372415 752065409 /nfs/dbraw/zinc/06/54/09/752065409.db2.gz OAFIJYMZQNNDMV-HNNXBMFYSA-N 1 2 329.404 0.411 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3cccnn3)CC2)C1=O ZINC000982372415 752065417 /nfs/dbraw/zinc/06/54/17/752065417.db2.gz OAFIJYMZQNNDMV-HNNXBMFYSA-N 1 2 329.404 0.411 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)[C@@H]2CC)C1 ZINC001087714366 746232277 /nfs/dbraw/zinc/23/22/77/746232277.db2.gz JLGKZFTUWMMGJS-QWHCGFSZSA-N 1 2 333.436 0.934 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)[C@@H]2CC)C1 ZINC001087714366 746232279 /nfs/dbraw/zinc/23/22/79/746232279.db2.gz JLGKZFTUWMMGJS-QWHCGFSZSA-N 1 2 333.436 0.934 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN1C(=O)CCn1cc[nH+]c1 ZINC000978432694 746316674 /nfs/dbraw/zinc/31/66/74/746316674.db2.gz LTCUYXZTOKRQLJ-XHSDSOJGSA-N 1 2 346.431 0.924 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(N(C)C)no3)CC[C@@H]2C1 ZINC001087911064 746645462 /nfs/dbraw/zinc/64/54/62/746645462.db2.gz JCQBUXMEBWJFTE-UPJWGTAASA-N 1 2 332.408 0.576 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3nc(N(C)C)no3)CC[C@@H]2C1 ZINC001087911064 746645468 /nfs/dbraw/zinc/64/54/68/746645468.db2.gz JCQBUXMEBWJFTE-UPJWGTAASA-N 1 2 332.408 0.576 20 30 ECEDLO C#Cc1cncc(C(=O)NCC2CC[NH+](Cc3ncnn3C)CC2)c1 ZINC001001812113 746740203 /nfs/dbraw/zinc/74/02/03/746740203.db2.gz DCDLANMJCGEVCI-UHFFFAOYSA-N 1 2 338.415 0.833 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000978872907 746806956 /nfs/dbraw/zinc/80/69/56/746806956.db2.gz DASUZOIKRNMOKL-LOUJCGABSA-N 1 2 346.431 0.944 20 30 ECEDLO C=CCn1cc(C(=O)NCC2CC[NH+](Cc3cnn(C)n3)CC2)nn1 ZINC001001919140 746807420 /nfs/dbraw/zinc/80/74/20/746807420.db2.gz QCNIYAUOMSMEEW-UHFFFAOYSA-N 1 2 344.423 0.235 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cc[nH+]c2)c[nH]1 ZINC001002131518 747011457 /nfs/dbraw/zinc/01/14/57/747011457.db2.gz XCXUFRWARVTSNH-KFWWJZLASA-N 1 2 338.371 0.645 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001002202310 747078678 /nfs/dbraw/zinc/07/86/78/747078678.db2.gz UMTOZWOGFURQKE-RDJZCZTQSA-N 1 2 346.431 0.898 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001002202310 747078685 /nfs/dbraw/zinc/07/86/85/747078685.db2.gz UMTOZWOGFURQKE-RDJZCZTQSA-N 1 2 346.431 0.898 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)NC ZINC001029511683 747206671 /nfs/dbraw/zinc/20/66/71/747206671.db2.gz XHSQFQBOXLAEOI-QMHWVQJVSA-N 1 2 335.448 0.777 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)NC ZINC001029511683 747206674 /nfs/dbraw/zinc/20/66/74/747206674.db2.gz XHSQFQBOXLAEOI-QMHWVQJVSA-N 1 2 335.448 0.777 20 30 ECEDLO C[C@@H]([NH2+]Cc1cnsn1)[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979290533 747521846 /nfs/dbraw/zinc/52/18/46/747521846.db2.gz IXVZKAMYXSGJMR-YGRLFVJLSA-N 1 2 346.416 0.757 20 30 ECEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cn[nH]c3-c3cnn(C)c3)C[C@@H]2C1 ZINC001088166419 747567190 /nfs/dbraw/zinc/56/71/90/747567190.db2.gz AHDOBTQZOILECW-HIFRSBDPSA-N 1 2 338.415 0.837 20 30 ECEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cn[nH]c3-c3cnn(C)c3)C[C@@H]2C1 ZINC001088166419 747567196 /nfs/dbraw/zinc/56/71/96/747567196.db2.gz AHDOBTQZOILECW-HIFRSBDPSA-N 1 2 338.415 0.837 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2CNC(=O)c2cnns2)C1=O ZINC001027771642 747583649 /nfs/dbraw/zinc/58/36/49/747583649.db2.gz CADSQDDYKVNZLP-RYUDHWBXSA-N 1 2 335.433 0.519 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)c2cnns2)C1=O ZINC001027771642 747583655 /nfs/dbraw/zinc/58/36/55/747583655.db2.gz CADSQDDYKVNZLP-RYUDHWBXSA-N 1 2 335.433 0.519 20 30 ECEDLO CCc1noc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC000979320318 747605021 /nfs/dbraw/zinc/60/50/21/747605021.db2.gz SQCMADWOPCZBGL-OCCSQVGLSA-N 1 2 332.404 0.751 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1)C(=O)c1cc(C#N)c[nH]1 ZINC001002647501 747613886 /nfs/dbraw/zinc/61/38/86/747613886.db2.gz GVAONBFROUWBFW-AWEZNQCLSA-N 1 2 340.387 0.846 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1)C(=O)c1cc(C#N)c[nH]1 ZINC001002887131 747921752 /nfs/dbraw/zinc/92/17/52/747921752.db2.gz BOEJDJWBHPVQAM-CYBMUJFWSA-N 1 2 340.387 0.915 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC000979515351 747974233 /nfs/dbraw/zinc/97/42/33/747974233.db2.gz HROQUFKYWKBJBL-QLPKVWCKSA-N 1 2 335.367 0.215 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2nnnn2C)CC1 ZINC000985435889 748009832 /nfs/dbraw/zinc/00/98/32/748009832.db2.gz SRZNVXWOXAQMRY-CABCVRRESA-N 1 2 348.451 0.614 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2nnnn2C)CC1 ZINC000985435889 748009840 /nfs/dbraw/zinc/00/98/40/748009840.db2.gz SRZNVXWOXAQMRY-CABCVRRESA-N 1 2 348.451 0.614 20 30 ECEDLO Cn1cnnc1C[N@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001029709830 748114976 /nfs/dbraw/zinc/11/49/76/748114976.db2.gz KQKXJXIYYSBFJB-LBPRGKRZSA-N 1 2 327.392 0.609 20 30 ECEDLO Cn1cnnc1C[N@@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001029709830 748114982 /nfs/dbraw/zinc/11/49/82/748114982.db2.gz KQKXJXIYYSBFJB-LBPRGKRZSA-N 1 2 327.392 0.609 20 30 ECEDLO Cn1nnnc1C[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001029710816 748119572 /nfs/dbraw/zinc/11/95/72/748119572.db2.gz VGDALHQWDNXDPH-NSHDSACASA-N 1 2 328.380 0.004 20 30 ECEDLO Cn1nnnc1C[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001029710816 748119575 /nfs/dbraw/zinc/11/95/75/748119575.db2.gz VGDALHQWDNXDPH-NSHDSACASA-N 1 2 328.380 0.004 20 30 ECEDLO C[N@@H+](Cc1nnnn1C1CC1)C[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001029733530 748176337 /nfs/dbraw/zinc/17/63/37/748176337.db2.gz LPVNQBUQIUHKOQ-CQSZACIVSA-N 1 2 328.420 0.702 20 30 ECEDLO C[N@H+](Cc1nnnn1C1CC1)C[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001029733530 748176338 /nfs/dbraw/zinc/17/63/38/748176338.db2.gz LPVNQBUQIUHKOQ-CQSZACIVSA-N 1 2 328.420 0.702 20 30 ECEDLO CCn1nncc1C[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001027833091 748317178 /nfs/dbraw/zinc/31/71/78/748317178.db2.gz NAUIFEZYBDZMEK-AWEZNQCLSA-N 1 2 327.392 0.892 20 30 ECEDLO CCn1nncc1C[N@H+]1CCC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001027833091 748317185 /nfs/dbraw/zinc/31/71/85/748317185.db2.gz NAUIFEZYBDZMEK-AWEZNQCLSA-N 1 2 327.392 0.892 20 30 ECEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2ccc(S(N)(=O)=O)o2)CC1 ZINC001003244557 748338227 /nfs/dbraw/zinc/33/82/27/748338227.db2.gz QGIACEQHGGKYRA-UHFFFAOYSA-N 1 2 347.824 0.874 20 30 ECEDLO C=CCn1cc(C(=O)NC2CC[NH+](Cc3nccn3C)CC2)nn1 ZINC001003760020 748867318 /nfs/dbraw/zinc/86/73/18/748867318.db2.gz SLXNCQBQUAINRN-UHFFFAOYSA-N 1 2 329.408 0.592 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@@H+](C)Cc2nnnn2C)CC1 ZINC000985698104 748885478 /nfs/dbraw/zinc/88/54/78/748885478.db2.gz YHZHPPRKVRBQNN-HOCLYGCPSA-N 1 2 348.451 0.614 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@H+](C)Cc2nnnn2C)CC1 ZINC000985698104 748885482 /nfs/dbraw/zinc/88/54/82/748885482.db2.gz YHZHPPRKVRBQNN-HOCLYGCPSA-N 1 2 348.451 0.614 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001059648120 749104873 /nfs/dbraw/zinc/10/48/73/749104873.db2.gz MSPOGCXOALNKAF-AWEZNQCLSA-N 1 2 332.404 0.347 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3cc[nH]c3)CC2)CC1 ZINC000985829396 749195202 /nfs/dbraw/zinc/19/52/02/749195202.db2.gz OICQWVMQXSIYPR-UHFFFAOYSA-N 1 2 331.420 0.696 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)c3nonc3C)CC2)CC1 ZINC000985834814 749202192 /nfs/dbraw/zinc/20/21/92/749202192.db2.gz WGTWHUBZGBQINN-UHFFFAOYSA-N 1 2 348.407 0.059 20 30 ECEDLO O=C(C#CC1CC1)N1CC(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001004218912 749330858 /nfs/dbraw/zinc/33/08/58/749330858.db2.gz ACNRZTCGEMWWJN-CQSZACIVSA-N 1 2 326.400 0.818 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@H](O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001105806167 761942674 /nfs/dbraw/zinc/94/26/74/761942674.db2.gz RCFZCHAODVBQHX-DYVFJYSZSA-N 1 2 334.420 0.879 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 ZINC000986079495 749489748 /nfs/dbraw/zinc/48/97/48/749489748.db2.gz MTPQHHZSQDKQEC-CVEARBPZSA-N 1 2 340.427 0.683 20 30 ECEDLO C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CCN(c2cnc(C#N)cn2)CC1 ZINC001126638843 749682536 /nfs/dbraw/zinc/68/25/36/749682536.db2.gz DLIBGEINOXTVTO-CYBMUJFWSA-N 1 2 339.403 0.966 20 30 ECEDLO C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001004684012 749752852 /nfs/dbraw/zinc/75/28/52/749752852.db2.gz LISZMNKFACGYTO-SWLSCSKDSA-N 1 2 340.387 0.750 20 30 ECEDLO C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001004738372 749802261 /nfs/dbraw/zinc/80/22/61/749802261.db2.gz CNZWWJDXTZSJEE-DOMZBBRYSA-N 1 2 340.387 0.750 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001004739765 749803398 /nfs/dbraw/zinc/80/33/98/749803398.db2.gz LVEFLHSKSQKTNW-OAGGEKHMSA-N 1 2 349.394 0.890 20 30 ECEDLO CN(CCN(C)c1ccc(C#N)nc1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001105434414 750086754 /nfs/dbraw/zinc/08/67/54/750086754.db2.gz UPLZCJWZPJLOAM-UHFFFAOYSA-N 1 2 345.447 0.959 20 30 ECEDLO C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001004992962 750113636 /nfs/dbraw/zinc/11/36/36/750113636.db2.gz RCCHQGATWFASLY-IUODEOHRSA-N 1 2 340.387 0.750 20 30 ECEDLO Cn1ncc2c1nc[nH+]c2N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001058855557 750327091 /nfs/dbraw/zinc/32/70/91/750327091.db2.gz CKMCOGQUNJTQBM-NSHDSACASA-N 1 2 336.359 0.890 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3nnn(C(C)C)c3C)C2)nn1 ZINC001105352741 750470298 /nfs/dbraw/zinc/47/02/98/750470298.db2.gz ZUMHMQWWVMEOPN-UHFFFAOYSA-N 1 2 342.407 0.179 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCNC1=O ZINC001028072274 750496798 /nfs/dbraw/zinc/49/67/98/750496798.db2.gz KDTWNLRAPJBKMR-MNOVXSKESA-N 1 2 330.226 0.612 20 30 ECEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCNC1=O ZINC001028072274 750496800 /nfs/dbraw/zinc/49/68/00/750496800.db2.gz KDTWNLRAPJBKMR-MNOVXSKESA-N 1 2 330.226 0.612 20 30 ECEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCN(C)C1=O ZINC001028084425 750590181 /nfs/dbraw/zinc/59/01/81/750590181.db2.gz MGBSGLWIOBJQRV-NWDGAFQWSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCN(C)C1=O ZINC001028084425 750590184 /nfs/dbraw/zinc/59/01/84/750590184.db2.gz MGBSGLWIOBJQRV-NWDGAFQWSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@H+](CC(=O)N2CCOCC2)CC1 ZINC000981740986 751034540 /nfs/dbraw/zinc/03/45/40/751034540.db2.gz LYMDTDFOYPLCME-UHFFFAOYSA-N 1 2 337.464 0.982 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CCC[N@@H+](CC(=O)N2CCOCC2)CC1 ZINC000981740986 751034546 /nfs/dbraw/zinc/03/45/46/751034546.db2.gz LYMDTDFOYPLCME-UHFFFAOYSA-N 1 2 337.464 0.982 20 30 ECEDLO CN1C[C@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)NC1=O ZINC000981750384 751050031 /nfs/dbraw/zinc/05/00/31/751050031.db2.gz AIZXTKFZOZWMHO-CQSZACIVSA-N 1 2 347.444 0.678 20 30 ECEDLO CN1C[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)NC1=O ZINC000981750384 751050038 /nfs/dbraw/zinc/05/00/38/751050038.db2.gz AIZXTKFZOZWMHO-CQSZACIVSA-N 1 2 347.444 0.678 20 30 ECEDLO CN1C[C@@H](C(=O)N2CCC[N@H+](CC#Cc3ccccc3)CC2)NC1=O ZINC000981751843 751054919 /nfs/dbraw/zinc/05/49/19/751054919.db2.gz ZAONAVSPJJWOBU-KRWDZBQOSA-N 1 2 340.427 0.596 20 30 ECEDLO CN1C[C@@H](C(=O)N2CCC[N@@H+](CC#Cc3ccccc3)CC2)NC1=O ZINC000981751843 751054928 /nfs/dbraw/zinc/05/49/28/751054928.db2.gz ZAONAVSPJJWOBU-KRWDZBQOSA-N 1 2 340.427 0.596 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CNC(=O)N3)CC2)cc1F ZINC000981850705 751198624 /nfs/dbraw/zinc/19/86/24/751198624.db2.gz QTINRYLLYJFJPD-OAHLLOKOSA-N 1 2 345.378 0.413 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CNC(=O)N3)CC2)cc1F ZINC000981850705 751198626 /nfs/dbraw/zinc/19/86/26/751198626.db2.gz QTINRYLLYJFJPD-OAHLLOKOSA-N 1 2 345.378 0.413 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C2CC[NH+](CCS(C)(=O)=O)CC2)nc1 ZINC001006302487 751220790 /nfs/dbraw/zinc/22/07/90/751220790.db2.gz GEUTVTBFOCZQOT-UHFFFAOYSA-N 1 2 349.456 0.644 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001028150019 751253665 /nfs/dbraw/zinc/25/36/65/751253665.db2.gz MIVWJHWBZXNIMQ-OLZOCXBDSA-N 1 2 338.843 0.959 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001028150019 751253668 /nfs/dbraw/zinc/25/36/68/751253668.db2.gz MIVWJHWBZXNIMQ-OLZOCXBDSA-N 1 2 338.843 0.959 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001007341680 752309673 /nfs/dbraw/zinc/30/96/73/752309673.db2.gz ASAMZUMDQQBEOZ-HNNXBMFYSA-N 1 2 325.376 0.326 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001007341680 752309683 /nfs/dbraw/zinc/30/96/83/752309683.db2.gz ASAMZUMDQQBEOZ-HNNXBMFYSA-N 1 2 325.376 0.326 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)Cn3ncnn3)C2)c(F)c1 ZINC001007347172 752315144 /nfs/dbraw/zinc/31/51/44/752315144.db2.gz YJEYNQWQKHLKGK-AWEZNQCLSA-N 1 2 343.366 0.465 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)Cn3ncnn3)C2)c(F)c1 ZINC001007347172 752315152 /nfs/dbraw/zinc/31/51/52/752315152.db2.gz YJEYNQWQKHLKGK-AWEZNQCLSA-N 1 2 343.366 0.465 20 30 ECEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)CCC#N)C[C@H]1OC ZINC001211997546 752339878 /nfs/dbraw/zinc/33/98/78/752339878.db2.gz YXULLUQAJUZKHR-HUUCEWRRSA-N 1 2 336.436 0.530 20 30 ECEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)CCC#N)C[C@H]1OC ZINC001211997546 752339887 /nfs/dbraw/zinc/33/98/87/752339887.db2.gz YXULLUQAJUZKHR-HUUCEWRRSA-N 1 2 336.436 0.530 20 30 ECEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@H](C)C(C)C)C[C@H]1OC ZINC001211999265 752346788 /nfs/dbraw/zinc/34/67/88/752346788.db2.gz DINKZGIOIOBSMX-RBSFLKMASA-N 1 2 325.453 0.929 20 30 ECEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)N[C@H](C)C(C)C)C[C@H]1OC ZINC001211999265 752346799 /nfs/dbraw/zinc/34/67/99/752346799.db2.gz DINKZGIOIOBSMX-RBSFLKMASA-N 1 2 325.453 0.929 20 30 ECEDLO CCn1nncc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083442624 752375072 /nfs/dbraw/zinc/37/50/72/752375072.db2.gz XGAVHCNUKWQUTK-ZBFHGGJFSA-N 1 2 340.387 0.145 20 30 ECEDLO CCn1nncc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083442624 752375078 /nfs/dbraw/zinc/37/50/78/752375078.db2.gz XGAVHCNUKWQUTK-ZBFHGGJFSA-N 1 2 340.387 0.145 20 30 ECEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1OC ZINC001212024108 752417931 /nfs/dbraw/zinc/41/79/31/752417931.db2.gz JWFTWAUZOJGCEZ-BFHYXJOUSA-N 1 2 332.466 0.449 20 30 ECEDLO C=CCCC(=O)N[C@@H]1C[N@H+](C[C@H](C)CS(C)(=O)=O)C[C@H]1OC ZINC001212024108 752417937 /nfs/dbraw/zinc/41/79/37/752417937.db2.gz JWFTWAUZOJGCEZ-BFHYXJOUSA-N 1 2 332.466 0.449 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ns2)C[C@H]1OC ZINC001212032027 752429370 /nfs/dbraw/zinc/42/93/70/752429370.db2.gz GHPHLRBXTKEVEJ-ZIAGYGMSSA-N 1 2 325.434 0.970 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)ns2)C[C@H]1OC ZINC001212032027 752429374 /nfs/dbraw/zinc/42/93/74/752429374.db2.gz GHPHLRBXTKEVEJ-ZIAGYGMSSA-N 1 2 325.434 0.970 20 30 ECEDLO CO[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212039849 752433189 /nfs/dbraw/zinc/43/31/89/752433189.db2.gz VHRMJBOIEHSCAX-NWANDNLSSA-N 1 2 331.420 0.623 20 30 ECEDLO CO[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@@H](C)C#N ZINC001212039849 752433194 /nfs/dbraw/zinc/43/31/94/752433194.db2.gz VHRMJBOIEHSCAX-NWANDNLSSA-N 1 2 331.420 0.623 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CCC3CC3)[C@H](OC)C2)C1=O ZINC001212060282 752454881 /nfs/dbraw/zinc/45/48/81/752454881.db2.gz TVKAKEXPYZJIJV-OWCLPIDISA-N 1 2 335.448 0.779 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CCC3CC3)[C@H](OC)C2)C1=O ZINC001212060282 752454889 /nfs/dbraw/zinc/45/48/89/752454889.db2.gz TVKAKEXPYZJIJV-OWCLPIDISA-N 1 2 335.448 0.779 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3Cc4cccnc4C3)C2)nn1 ZINC001105368152 752468475 /nfs/dbraw/zinc/46/84/75/752468475.db2.gz QFJOCLKTEWKPRN-AWEZNQCLSA-N 1 2 336.399 0.194 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001007634516 752679914 /nfs/dbraw/zinc/67/99/14/752679914.db2.gz FQYYFGQICLQLNU-CXAGYDPISA-N 1 2 345.403 0.332 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccccc2F)[C@H](OC)C1 ZINC001211768687 752686536 /nfs/dbraw/zinc/68/65/36/752686536.db2.gz NEAPTBXEZKCIPQ-APHBMKBZSA-N 1 2 349.406 0.945 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccccc2F)[C@H](OC)C1 ZINC001211768687 752686541 /nfs/dbraw/zinc/68/65/41/752686541.db2.gz NEAPTBXEZKCIPQ-APHBMKBZSA-N 1 2 349.406 0.945 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@]2(C1)CN(C(=O)CCc1[nH]cc[nH+]1)CCO2 ZINC001007712180 752846815 /nfs/dbraw/zinc/84/68/15/752846815.db2.gz NELAXHFVWYOARM-DYVFJYSZSA-N 1 2 345.403 0.332 20 30 ECEDLO CCOc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)C#N)CCO2)s1 ZINC001051489209 762188038 /nfs/dbraw/zinc/18/80/38/762188038.db2.gz YKEGNZVRZWRSMM-WDEREUQCSA-N 1 2 339.421 0.413 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1csc(NC(C)=O)n1 ZINC001126383768 753160180 /nfs/dbraw/zinc/16/01/80/753160180.db2.gz JOTAVPNEHOBFBF-CQSZACIVSA-N 1 2 326.422 0.634 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 ZINC001008067886 753267525 /nfs/dbraw/zinc/26/75/25/753267525.db2.gz VDZRBPHZHXDUPW-QLFBSQMISA-N 1 2 343.855 0.955 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 ZINC001008067886 753267528 /nfs/dbraw/zinc/26/75/28/753267528.db2.gz VDZRBPHZHXDUPW-QLFBSQMISA-N 1 2 343.855 0.955 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC001051495101 762208007 /nfs/dbraw/zinc/20/80/07/762208007.db2.gz QSZHOIJFRCTEDT-NWDGAFQWSA-N 1 2 335.408 0.844 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000938130002 753375351 /nfs/dbraw/zinc/37/53/51/753375351.db2.gz LGFRVYBZBCVIRL-AWEZNQCLSA-N 1 2 341.415 0.981 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cn4c(cccc4C)n3)C2)nn1 ZINC001105371025 753399835 /nfs/dbraw/zinc/39/98/35/753399835.db2.gz GQHUGMCCAJMFEI-UHFFFAOYSA-N 1 2 349.398 0.654 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCCCCNC(C)=O)C2)nn1 ZINC001105371125 753414106 /nfs/dbraw/zinc/41/41/06/753414106.db2.gz GUUCLLWRNHMMAL-UHFFFAOYSA-N 1 2 346.435 0.081 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001008178979 753428656 /nfs/dbraw/zinc/42/86/56/753428656.db2.gz SBEQSESLQKPKHO-HOTGVXAUSA-N 1 2 326.400 0.775 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001008178979 753428658 /nfs/dbraw/zinc/42/86/58/753428658.db2.gz SBEQSESLQKPKHO-HOTGVXAUSA-N 1 2 326.400 0.775 20 30 ECEDLO C=C(C)CCC(=O)N1CC[C@H](n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001098681890 753648129 /nfs/dbraw/zinc/64/81/29/753648129.db2.gz ZHCXLCCRQDLENH-AWEZNQCLSA-N 1 2 334.424 0.243 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](n2cc(CNCC=C)nn2)C1 ZINC001098683155 753690780 /nfs/dbraw/zinc/69/07/80/753690780.db2.gz RGXIVXFBJCMYAO-IRXDYDNUSA-N 1 2 342.447 0.425 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](n2cc(CNCC=C)nn2)C1 ZINC001098683155 753690781 /nfs/dbraw/zinc/69/07/81/753690781.db2.gz RGXIVXFBJCMYAO-IRXDYDNUSA-N 1 2 342.447 0.425 20 30 ECEDLO CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001105492085 753729499 /nfs/dbraw/zinc/72/94/99/753729499.db2.gz JVTMGQCJPGARAA-ZDUSSCGKSA-N 1 2 339.403 0.702 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N(C)C3CC3)C2)c1 ZINC001008467615 753770430 /nfs/dbraw/zinc/77/04/30/753770430.db2.gz FDWJEVHPZYEJDF-INIZCTEOSA-N 1 2 340.427 0.878 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N(C)C3CC3)C2)c1 ZINC001008467615 753770434 /nfs/dbraw/zinc/77/04/34/753770434.db2.gz FDWJEVHPZYEJDF-INIZCTEOSA-N 1 2 340.427 0.878 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C3C(C)(C)C3(C)C)[C@@H](O)C2)C1=O ZINC001083390963 753786569 /nfs/dbraw/zinc/78/65/69/753786569.db2.gz OLFCZHRLKYSKPJ-RDBSUJKOSA-N 1 2 349.475 0.617 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C3C(C)(C)C3(C)C)[C@@H](O)C2)C1=O ZINC001083390963 753786574 /nfs/dbraw/zinc/78/65/74/753786574.db2.gz OLFCZHRLKYSKPJ-RDBSUJKOSA-N 1 2 349.475 0.617 20 30 ECEDLO Cc1ncoc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083394706 753805786 /nfs/dbraw/zinc/80/57/86/753805786.db2.gz FWACPJXSTBVRBL-CABCVRRESA-N 1 2 326.356 0.830 20 30 ECEDLO Cc1ncoc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083394706 753805790 /nfs/dbraw/zinc/80/57/90/753805790.db2.gz FWACPJXSTBVRBL-CABCVRRESA-N 1 2 326.356 0.830 20 30 ECEDLO COCCN(CCNC(=O)Cc1[nH]cc[nH+]1)c1nc(C)ccc1C#N ZINC001126396715 753987621 /nfs/dbraw/zinc/98/76/21/753987621.db2.gz VYZOCDFFISFKIB-UHFFFAOYSA-N 1 2 342.403 0.797 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3nc(C)no3)C[C@H]2C)nn1 ZINC000989536557 754080542 /nfs/dbraw/zinc/08/05/42/754080542.db2.gz NQZQLZGLALCFLU-ZYHUDNBSSA-N 1 2 331.380 0.548 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+]([C@@H]3CCN(CC)C3=O)C2)nn1 ZINC001008800887 754132729 /nfs/dbraw/zinc/13/27/29/754132729.db2.gz SEMKTHPOXQRLFS-DZGCQCFKSA-N 1 2 346.435 0.279 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCN(CC)C3=O)C2)nn1 ZINC001008800887 754132734 /nfs/dbraw/zinc/13/27/34/754132734.db2.gz SEMKTHPOXQRLFS-DZGCQCFKSA-N 1 2 346.435 0.279 20 30 ECEDLO Cc1noc([C@H](C)[NH2+]C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CCO2)n1 ZINC001051529313 762279272 /nfs/dbraw/zinc/27/92/72/762279272.db2.gz ZGJHLWDGONZOLI-GWCFXTLKSA-N 1 2 344.375 0.770 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)[nH]1 ZINC000982935962 754230132 /nfs/dbraw/zinc/23/01/32/754230132.db2.gz SRNIDBYGHBFDIZ-GFCCVEGCSA-N 1 2 326.360 0.361 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)nc1 ZINC001009255137 754713099 /nfs/dbraw/zinc/71/30/99/754713099.db2.gz URRNEGBFIKZJAW-INIZCTEOSA-N 1 2 340.427 0.880 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)nc1 ZINC001009255137 754713104 /nfs/dbraw/zinc/71/31/04/754713104.db2.gz URRNEGBFIKZJAW-INIZCTEOSA-N 1 2 340.427 0.880 20 30 ECEDLO Cn1cc(C[N@@H+]2CC[C@@]3(NC(=O)c4cc(C#N)c[nH]4)CCC[C@H]23)nn1 ZINC000990161951 754786970 /nfs/dbraw/zinc/78/69/70/754786970.db2.gz NJUZKPQSRRQNBR-RDJZCZTQSA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1cc(C[N@H+]2CC[C@@]3(NC(=O)c4cc(C#N)c[nH]4)CCC[C@H]23)nn1 ZINC000990161951 754786975 /nfs/dbraw/zinc/78/69/75/754786975.db2.gz NJUZKPQSRRQNBR-RDJZCZTQSA-N 1 2 339.403 0.942 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C3(CCOC)CCCC3)C2)nn1 ZINC001105379094 755243410 /nfs/dbraw/zinc/24/34/10/755243410.db2.gz PQFKTJOGVPGSRI-UHFFFAOYSA-N 1 2 345.447 0.981 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1O ZINC001083468972 755249744 /nfs/dbraw/zinc/24/97/44/755249744.db2.gz AQSDYULZEGFJOS-NCOADZHNSA-N 1 2 331.416 0.724 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]1O ZINC001083468972 755249748 /nfs/dbraw/zinc/24/97/48/755249748.db2.gz AQSDYULZEGFJOS-NCOADZHNSA-N 1 2 331.416 0.724 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@H]3CC(C)(C)CO3)C2)nn1 ZINC001098690305 755263543 /nfs/dbraw/zinc/26/35/43/755263543.db2.gz LMRFSTGYOXJOOU-HOTGVXAUSA-N 1 2 345.447 0.980 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3cnon3)C2)nn1 ZINC001028857749 755322727 /nfs/dbraw/zinc/32/27/27/755322727.db2.gz KALBIMRQDOUOSU-LBPRGKRZSA-N 1 2 331.380 0.489 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3cnon3)C2)nn1 ZINC001028857749 755322730 /nfs/dbraw/zinc/32/27/30/755322730.db2.gz KALBIMRQDOUOSU-LBPRGKRZSA-N 1 2 331.380 0.489 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](CNc2ccnc(C#N)n2)C1 ZINC001060045152 755425605 /nfs/dbraw/zinc/42/56/05/755425605.db2.gz IJZUQATWSNNQTG-ZDUSSCGKSA-N 1 2 339.403 0.695 20 30 ECEDLO CC(C)C#CC(=O)NCC[NH2+]Cc1csc(CS(C)(=O)=O)n1 ZINC001126823838 755557249 /nfs/dbraw/zinc/55/72/49/755557249.db2.gz ZZSPPYGPDABKCQ-UHFFFAOYSA-N 1 2 343.474 0.553 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000990699649 755647021 /nfs/dbraw/zinc/64/70/21/755647021.db2.gz PBCFNGHLCSDRMP-UHFFFAOYSA-N 1 2 326.360 0.193 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)c1 ZINC000990704061 755653953 /nfs/dbraw/zinc/65/39/53/755653953.db2.gz PAYARDBRTOHTEI-GFCCVEGCSA-N 1 2 338.371 0.286 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C3C=CC=CC=C3)[C@@H](O)C2)C1=O ZINC001083497254 755717127 /nfs/dbraw/zinc/71/71/27/755717127.db2.gz MEVOEBHSLCIHQN-ZACQAIPSSA-N 1 2 343.427 0.233 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C3C=CC=CC=C3)[C@@H](O)C2)C1=O ZINC001083497254 755717129 /nfs/dbraw/zinc/71/71/29/755717129.db2.gz MEVOEBHSLCIHQN-ZACQAIPSSA-N 1 2 343.427 0.233 20 30 ECEDLO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCCS2(=O)=O)[C@@H](O)C1 ZINC001083522224 755882827 /nfs/dbraw/zinc/88/28/27/755882827.db2.gz YKBJXHKBGMTLRT-HZSPNIEDSA-N 1 2 330.450 0.081 20 30 ECEDLO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCCS2(=O)=O)[C@@H](O)C1 ZINC001083522224 755882831 /nfs/dbraw/zinc/88/28/31/755882831.db2.gz YKBJXHKBGMTLRT-HZSPNIEDSA-N 1 2 330.450 0.081 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+]([C@H]2CCN(CC)C2=O)C[C@@H]1O ZINC001083526459 755923693 /nfs/dbraw/zinc/92/36/93/755923693.db2.gz SVIGAAMKSUSVIM-KBMXLJTQSA-N 1 2 346.431 0.070 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+]([C@H]2CCN(CC)C2=O)C[C@@H]1O ZINC001083526459 755923695 /nfs/dbraw/zinc/92/36/95/755923695.db2.gz SVIGAAMKSUSVIM-KBMXLJTQSA-N 1 2 346.431 0.070 20 30 ECEDLO C=CCOCC(=O)NCC[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001060094337 756027330 /nfs/dbraw/zinc/02/73/30/756027330.db2.gz BYIXEGLAAOBDOI-HNNXBMFYSA-N 1 2 348.447 0.910 20 30 ECEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3F)C2)C1 ZINC001010429210 756128141 /nfs/dbraw/zinc/12/81/41/756128141.db2.gz SABXHXZSWIBFBB-RDJZCZTQSA-N 1 2 346.406 0.718 20 30 ECEDLO C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3F)C2)C1 ZINC001010429210 756128147 /nfs/dbraw/zinc/12/81/47/756128147.db2.gz SABXHXZSWIBFBB-RDJZCZTQSA-N 1 2 346.406 0.718 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CCCC3)C2)[nH]1 ZINC001010642759 756341601 /nfs/dbraw/zinc/34/16/01/756341601.db2.gz JZCLHDAHRJQJFX-CQSZACIVSA-N 1 2 329.404 0.749 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CCCC3)C2)[nH]1 ZINC001010642759 756341605 /nfs/dbraw/zinc/34/16/05/756341605.db2.gz JZCLHDAHRJQJFX-CQSZACIVSA-N 1 2 329.404 0.749 20 30 ECEDLO CN1CCOC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010695049 756409434 /nfs/dbraw/zinc/40/94/34/756409434.db2.gz PSCLHODIAVMQFS-RDJZCZTQSA-N 1 2 346.406 0.718 20 30 ECEDLO CN1CCOC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010695049 756409438 /nfs/dbraw/zinc/40/94/38/756409438.db2.gz PSCLHODIAVMQFS-RDJZCZTQSA-N 1 2 346.406 0.718 20 30 ECEDLO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)C1 ZINC001010759851 756489746 /nfs/dbraw/zinc/48/97/46/756489746.db2.gz NMOHKTMSVQRJMV-MRXNPFEDSA-N 1 2 344.390 0.866 20 30 ECEDLO CC(=O)N1CC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)C1 ZINC001010759851 756489749 /nfs/dbraw/zinc/48/97/49/756489749.db2.gz NMOHKTMSVQRJMV-MRXNPFEDSA-N 1 2 344.390 0.866 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4cnnn4C)C[C@H]32)nc1 ZINC001076476117 756562338 /nfs/dbraw/zinc/56/23/38/756562338.db2.gz WLLMOSDHVHWHRN-WMLDXEAASA-N 1 2 336.399 0.538 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](Cc4cnnn4C)C[C@H]32)nc1 ZINC001076476117 756562342 /nfs/dbraw/zinc/56/23/42/756562342.db2.gz WLLMOSDHVHWHRN-WMLDXEAASA-N 1 2 336.399 0.538 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)c(F)c1 ZINC001010831799 756579110 /nfs/dbraw/zinc/57/91/10/756579110.db2.gz APZJXRWPIBZUEE-OCCSQVGLSA-N 1 2 332.335 0.496 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3COC(=O)N3)C2)c(F)c1 ZINC001010831799 756579111 /nfs/dbraw/zinc/57/91/11/756579111.db2.gz APZJXRWPIBZUEE-OCCSQVGLSA-N 1 2 332.335 0.496 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001076509297 756583949 /nfs/dbraw/zinc/58/39/49/756583949.db2.gz UAJXYQPJKOKFEI-KBPBESRZSA-N 1 2 334.420 0.402 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CCCOCC3)C2)nn1 ZINC001098665191 756777016 /nfs/dbraw/zinc/77/70/16/756777016.db2.gz VNVJBVROUDHKGE-NVXWUHKLSA-N 1 2 345.447 0.981 20 30 ECEDLO Cc1ccc(C#N)c(NC[C@@H](O)CNC(=O)CCCn2cc[nH+]c2)n1 ZINC001105894710 762495239 /nfs/dbraw/zinc/49/52/39/762495239.db2.gz SBGLISQJWSSNRP-HNNXBMFYSA-N 1 2 342.403 0.828 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)OCCC=C)nn2)C1 ZINC001107140651 756962475 /nfs/dbraw/zinc/96/24/75/756962475.db2.gz OWHDPLDJGDQVPL-CQSZACIVSA-N 1 2 331.420 0.756 20 30 ECEDLO O=C(C[C@@H]1CCCO1)N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001076758084 756977737 /nfs/dbraw/zinc/97/77/37/756977737.db2.gz LVCAFATYQQMZGJ-RCCFBDPRSA-N 1 2 346.402 0.908 20 30 ECEDLO O=C(C[C@@H]1CCCO1)N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1O ZINC001076758084 756977742 /nfs/dbraw/zinc/97/77/42/756977742.db2.gz LVCAFATYQQMZGJ-RCCFBDPRSA-N 1 2 346.402 0.908 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)cc1F ZINC001076792474 757139237 /nfs/dbraw/zinc/13/92/37/757139237.db2.gz WHWSUKPFBJUNEB-FVQBIDKESA-N 1 2 333.363 0.395 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCOC3)C2)cc1F ZINC001076792474 757139241 /nfs/dbraw/zinc/13/92/41/757139241.db2.gz WHWSUKPFBJUNEB-FVQBIDKESA-N 1 2 333.363 0.395 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001011200962 757179258 /nfs/dbraw/zinc/17/92/58/757179258.db2.gz ORWUFJRCPULJOL-YOEHRIQHSA-N 1 2 346.431 0.913 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCc3ccncn3)nn2)C1 ZINC001107176813 757257165 /nfs/dbraw/zinc/25/71/65/757257165.db2.gz OFLSSKZBPRLMRA-UHFFFAOYSA-N 1 2 339.403 0.197 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001011239628 757267731 /nfs/dbraw/zinc/26/77/31/757267731.db2.gz XGOWGYCRSJMVCJ-CYBMUJFWSA-N 1 2 329.404 0.592 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)c3ccnn3C)nn2)C1 ZINC001107172958 757276313 /nfs/dbraw/zinc/27/63/13/757276313.db2.gz UBIQFOILZHTSDW-CYBMUJFWSA-N 1 2 341.419 0.312 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@H]3CO[C@H](C)C3)nn2)C1 ZINC001107182580 757317095 /nfs/dbraw/zinc/31/70/95/757317095.db2.gz XINBMESIUMOSBR-ZIAGYGMSSA-N 1 2 349.435 0.379 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)Cc3cnn(C)c3C)nn2)C1 ZINC001107177945 757330013 /nfs/dbraw/zinc/33/00/13/757330013.db2.gz DOJBIWQTVGDSSH-UHFFFAOYSA-N 1 2 343.435 0.612 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001048917050 757405300 /nfs/dbraw/zinc/40/53/00/757405300.db2.gz ZPIKTBZFKZFMAG-QEJZJMRPSA-N 1 2 348.447 0.831 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001048917050 757405306 /nfs/dbraw/zinc/40/53/06/757405306.db2.gz ZPIKTBZFKZFMAG-QEJZJMRPSA-N 1 2 348.447 0.831 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)C(F)(F)F)nn2)C1 ZINC001107190968 757442322 /nfs/dbraw/zinc/44/23/22/757442322.db2.gz KHGGZOYDIAGORS-JTQLQIEISA-N 1 2 329.326 0.973 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H]([NH2+]Cc3cnsn3)C(C)(C)C2)nn1 ZINC000996390748 757523747 /nfs/dbraw/zinc/52/37/47/757523747.db2.gz VRSKZUOUVSMWBH-CYBMUJFWSA-N 1 2 347.448 0.956 20 30 ECEDLO C=C(C)CC[NH+]1CC(n2cc(CNC(=O)CCc3c[nH]nn3)nn2)C1 ZINC001107212115 757743349 /nfs/dbraw/zinc/74/33/49/757743349.db2.gz OPCZSTIOIFXIIA-UHFFFAOYSA-N 1 2 344.423 0.468 20 30 ECEDLO C=C(C)CC[NH+]1CC(n2cc(CNC(=O)CCc3cnn[nH]3)nn2)C1 ZINC001107212115 757743356 /nfs/dbraw/zinc/74/33/56/757743356.db2.gz OPCZSTIOIFXIIA-UHFFFAOYSA-N 1 2 344.423 0.468 20 30 ECEDLO CCn1nncc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076964153 757759797 /nfs/dbraw/zinc/75/97/97/757759797.db2.gz PRGXCBRETCWWCC-GDBMZVCRSA-N 1 2 340.387 0.145 20 30 ECEDLO CCn1nncc1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076964153 757759805 /nfs/dbraw/zinc/75/98/05/757759805.db2.gz PRGXCBRETCWWCC-GDBMZVCRSA-N 1 2 340.387 0.145 20 30 ECEDLO C=C(C)CC[NH+]1CC(n2cc(CNC(=O)Cc3nnc[nH]3)nn2)C1 ZINC001107227207 757887720 /nfs/dbraw/zinc/88/77/20/757887720.db2.gz GHYQEURSOGKUDA-UHFFFAOYSA-N 1 2 330.396 0.078 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn([C@@H](C)COC)nc2C)C1 ZINC001076997033 757898431 /nfs/dbraw/zinc/89/84/31/757898431.db2.gz ZZSOXFLUOVBINW-APHBMKBZSA-N 1 2 334.420 0.197 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn([C@@H](C)COC)nc2C)C1 ZINC001076997033 757898442 /nfs/dbraw/zinc/89/84/42/757898442.db2.gz ZZSOXFLUOVBINW-APHBMKBZSA-N 1 2 334.420 0.197 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C3(C)CC3)C2)nn1 ZINC001098676603 762589387 /nfs/dbraw/zinc/58/93/87/762589387.db2.gz QJJBPVFMMTVSKY-HNNXBMFYSA-N 1 2 331.420 0.591 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)cn1 ZINC001022037109 758192525 /nfs/dbraw/zinc/19/25/25/758192525.db2.gz YWHORTMKMOWXSC-DOTOQJQBSA-N 1 2 349.394 0.633 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)NC/C=C\CNc1ccc(C#N)nn1 ZINC001107298729 758198392 /nfs/dbraw/zinc/19/83/92/758198392.db2.gz ZWLDUCLMMPSPPP-IHWYPQMZSA-N 1 2 325.376 0.799 20 30 ECEDLO C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001077115895 758223519 /nfs/dbraw/zinc/22/35/19/758223519.db2.gz BYFBIVLGRNRQRM-KBPBESRZSA-N 1 2 334.420 0.659 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC001011670137 758261378 /nfs/dbraw/zinc/26/13/78/758261378.db2.gz YNWWFMXJJKLOTQ-FZMZJTMJSA-N 1 2 340.387 0.880 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ncc(C)s2)C[C@H]1O ZINC001077159251 758377608 /nfs/dbraw/zinc/37/76/08/758377608.db2.gz VKTUKEPJZWZPIH-QLFBSQMISA-N 1 2 348.472 0.210 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ncc(C)s2)C[C@H]1O ZINC001077159251 758377619 /nfs/dbraw/zinc/37/76/19/758377619.db2.gz VKTUKEPJZWZPIH-QLFBSQMISA-N 1 2 348.472 0.210 20 30 ECEDLO N#Cc1ccc(NC/C=C/CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)nn1 ZINC001107393385 758449906 /nfs/dbraw/zinc/44/99/06/758449906.db2.gz CAIBZQSZZSWWNR-ZIYVKSGCSA-N 1 2 337.387 0.892 20 30 ECEDLO N#Cc1cncc(NC/C=C/CNC(=O)[C@H]2CCn3cc[nH+]c3C2)n1 ZINC001107394807 758452713 /nfs/dbraw/zinc/45/27/13/758452713.db2.gz PPYWLEFLLBNWAV-AORQRIRUSA-N 1 2 337.387 0.892 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 ZINC001022313866 758560021 /nfs/dbraw/zinc/56/00/21/758560021.db2.gz ZUAXSNAEUNDNCT-GOEBONIOSA-N 1 2 326.400 0.733 20 30 ECEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2O)cc1 ZINC001077246197 758597717 /nfs/dbraw/zinc/59/77/17/758597717.db2.gz SGQOIGQWQGUNQI-HZPDHXFCSA-N 1 2 347.415 0.115 20 30 ECEDLO C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2O)cc1 ZINC001077246197 758597722 /nfs/dbraw/zinc/59/77/22/758597722.db2.gz SGQOIGQWQGUNQI-HZPDHXFCSA-N 1 2 347.415 0.115 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001030332345 762648058 /nfs/dbraw/zinc/64/80/58/762648058.db2.gz IJCIXTJPQAWGTK-OAGGEKHMSA-N 1 2 334.420 0.026 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@H]2C)cn1 ZINC001011855206 758772516 /nfs/dbraw/zinc/77/25/16/758772516.db2.gz FQMGSOVAYFJPKM-BBRMVZONSA-N 1 2 337.383 0.679 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)c1 ZINC001022635405 758974799 /nfs/dbraw/zinc/97/47/99/758974799.db2.gz QMYXQENXJSOJQK-WMLDXEAASA-N 1 2 349.394 0.702 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)nc1 ZINC001011935974 758997233 /nfs/dbraw/zinc/99/72/33/758997233.db2.gz IMCSQIZVCMNUMN-UKRRQHHQSA-N 1 2 337.383 0.679 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c(cc[nH]c3=O)n2)[C@@H](O)C1 ZINC001083584446 759098488 /nfs/dbraw/zinc/09/84/88/759098488.db2.gz WSTQBBCZFUDWBT-CABCVRRESA-N 1 2 326.356 0.134 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(cc[nH]c3=O)n2)[C@@H](O)C1 ZINC001083584446 759098491 /nfs/dbraw/zinc/09/84/91/759098491.db2.gz WSTQBBCZFUDWBT-CABCVRRESA-N 1 2 326.356 0.134 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1cnn(C)n1 ZINC001049733024 759144721 /nfs/dbraw/zinc/14/47/21/759144721.db2.gz URIRCNXTVDVWDI-QZWWFDLISA-N 1 2 345.447 0.972 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1cnn(C)n1 ZINC001049733024 759144723 /nfs/dbraw/zinc/14/47/23/759144723.db2.gz URIRCNXTVDVWDI-QZWWFDLISA-N 1 2 345.447 0.972 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001012008377 759186909 /nfs/dbraw/zinc/18/69/09/759186909.db2.gz MVFXQAGPOOYFNG-CMPLNLGQSA-N 1 2 326.360 0.571 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2[nH]nnc2C1 ZINC001049839776 759280753 /nfs/dbraw/zinc/28/07/53/759280753.db2.gz JYGUVIFNRXTEGV-IAOVAPTHSA-N 1 2 327.432 0.998 20 30 ECEDLO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2[nH]nnc2C1 ZINC001049839776 759280759 /nfs/dbraw/zinc/28/07/59/759280759.db2.gz JYGUVIFNRXTEGV-IAOVAPTHSA-N 1 2 327.432 0.998 20 30 ECEDLO CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2nn[nH]c2C1 ZINC001049839776 759280766 /nfs/dbraw/zinc/28/07/66/759280766.db2.gz JYGUVIFNRXTEGV-IAOVAPTHSA-N 1 2 327.432 0.998 20 30 ECEDLO CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2nn[nH]c2C1 ZINC001049839776 759280773 /nfs/dbraw/zinc/28/07/73/759280773.db2.gz JYGUVIFNRXTEGV-IAOVAPTHSA-N 1 2 327.432 0.998 20 30 ECEDLO N#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+]1CCOCC1)C2 ZINC001054245014 767861079 /nfs/dbraw/zinc/86/10/79/767861079.db2.gz MURRUGQSCCJTQB-PKOBYXMFSA-N 1 2 346.475 0.935 20 30 ECEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)c3cnnn3C)CC2)C1 ZINC001105704534 759539345 /nfs/dbraw/zinc/53/93/45/759539345.db2.gz YBCPXPNAVVVRRZ-UHFFFAOYSA-N 1 2 349.435 0.323 20 30 ECEDLO C[N@@H+]1CCc2ncnc(NC/C=C\CNC(=O)CSCC#N)c2C1 ZINC001107049390 759540943 /nfs/dbraw/zinc/54/09/43/759540943.db2.gz PBLMEQDFDZUUHB-IHWYPQMZSA-N 1 2 346.460 0.806 20 30 ECEDLO C[N@H+]1CCc2ncnc(NC/C=C\CNC(=O)CSCC#N)c2C1 ZINC001107049390 759540951 /nfs/dbraw/zinc/54/09/51/759540951.db2.gz PBLMEQDFDZUUHB-IHWYPQMZSA-N 1 2 346.460 0.806 20 30 ECEDLO Cc1nc(N(C)C)nc(NC/C=C/CNC(=O)CSCC#N)[nH+]1 ZINC001107049727 759542628 /nfs/dbraw/zinc/54/26/28/759542628.db2.gz YHNPBJAEBAACJR-SNAWJCMRSA-N 1 2 335.437 0.587 20 30 ECEDLO C[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001012443601 760011594 /nfs/dbraw/zinc/01/15/94/760011594.db2.gz WRWYJCWHIQLDMA-WCQYABFASA-N 1 2 326.360 0.502 20 30 ECEDLO N#Cc1ccc(C(=O)NCC2=CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)[nH]1 ZINC001017390715 767922571 /nfs/dbraw/zinc/92/25/71/767922571.db2.gz GHWJLBMBEFSFHL-UHFFFAOYSA-N 1 2 338.371 0.741 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000945478705 760362418 /nfs/dbraw/zinc/36/24/18/760362418.db2.gz XTZLPZRILWCKLH-YPMHNXCESA-N 1 2 340.387 0.819 20 30 ECEDLO CN(C)c1noc(C[NH+]2CCC3(CN(C(=O)C#CC4CC4)C3)CC2)n1 ZINC001050515667 760410162 /nfs/dbraw/zinc/41/01/62/760410162.db2.gz ISYLJPLENSENFC-UHFFFAOYSA-N 1 2 343.431 0.973 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C[C@@H]2C)nn1 ZINC001012616832 760438848 /nfs/dbraw/zinc/43/88/48/760438848.db2.gz NCVQPPMYKYEOPR-AAEUAGOBSA-N 1 2 343.391 0.149 20 30 ECEDLO Cc1nc(N(C)C)nc(NC/C=C/CNC(=O)c2c[nH]c(C#N)c2)[nH+]1 ZINC001107130349 760530233 /nfs/dbraw/zinc/53/02/33/760530233.db2.gz LMXPXBHRPBVTAO-SNAWJCMRSA-N 1 2 340.391 0.844 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H](C)n3cccn3)nn2)C1 ZINC001107134605 760577183 /nfs/dbraw/zinc/57/71/83/760577183.db2.gz CQXMQYLCEAANHF-CYBMUJFWSA-N 1 2 329.408 0.785 20 30 ECEDLO CC(C)C#CC(=O)N1CC[C@@H]([C@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001050672611 760652177 /nfs/dbraw/zinc/65/21/77/760652177.db2.gz KMMOABQAZRDZBK-LSDHHAIUSA-N 1 2 330.432 0.975 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001050722552 760727764 /nfs/dbraw/zinc/72/77/64/760727764.db2.gz WLLJLVBVDLKDKD-LSDHHAIUSA-N 1 2 332.404 0.276 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001060235444 760813866 /nfs/dbraw/zinc/81/38/66/760813866.db2.gz NKTBPNRLKQBXNY-SUMWQHHRSA-N 1 2 334.420 0.634 20 30 ECEDLO CN1CCC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2cc(C#N)c[nH]2)C1=O ZINC001017454537 768002061 /nfs/dbraw/zinc/00/20/61/768002061.db2.gz IWTPKQUMNWHQJK-LZWOXQAQSA-N 1 2 341.415 0.796 20 30 ECEDLO CN1CCC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2cc(C#N)c[nH]2)C1=O ZINC001017454537 768002067 /nfs/dbraw/zinc/00/20/67/768002067.db2.gz IWTPKQUMNWHQJK-LZWOXQAQSA-N 1 2 341.415 0.796 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(=O)n4[nH]ccc4n3)C[C@@H]2C1 ZINC001048728293 761057751 /nfs/dbraw/zinc/05/77/51/761057751.db2.gz YVVTXROLWWQAGP-RWMBFGLXSA-N 1 2 340.387 0.072 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3cc(=O)n4[nH]ccc4n3)C[C@@H]2C1 ZINC001048728293 761057757 /nfs/dbraw/zinc/05/77/57/761057757.db2.gz YVVTXROLWWQAGP-RWMBFGLXSA-N 1 2 340.387 0.072 20 30 ECEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC[C@H]1COCCN1CC#N ZINC001050922259 761148278 /nfs/dbraw/zinc/14/82/78/761148278.db2.gz QFKLQMYQSHVLSC-OWCLPIDISA-N 1 2 343.431 0.494 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N[C@H](C)CC)C[C@H]1OC ZINC001212146562 761209931 /nfs/dbraw/zinc/20/99/31/761209931.db2.gz SVJINTUZBFMVLA-BZUAXINKSA-N 1 2 337.464 0.910 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+](CC(=O)N[C@H](C)CC)C[C@H]1OC ZINC001212146562 761209938 /nfs/dbraw/zinc/20/99/38/761209938.db2.gz SVJINTUZBFMVLA-BZUAXINKSA-N 1 2 337.464 0.910 20 30 ECEDLO N#Cc1nccc(NC[C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)n1 ZINC001060268031 761374509 /nfs/dbraw/zinc/37/45/09/761374509.db2.gz KIPBQPCLJSNFPK-LBPRGKRZSA-N 1 2 325.376 0.529 20 30 ECEDLO CC#CCN1CCOC[C@H]1CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001051046844 761390110 /nfs/dbraw/zinc/39/01/10/761390110.db2.gz VNVGNRYIMZOROP-MSOLQXFVSA-N 1 2 349.475 0.328 20 30 ECEDLO CC#CCN1CCOC[C@H]1CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001051046844 761390121 /nfs/dbraw/zinc/39/01/21/761390121.db2.gz VNVGNRYIMZOROP-MSOLQXFVSA-N 1 2 349.475 0.328 20 30 ECEDLO C#CCCN1CCOC[C@@H]1CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001051076077 761445963 /nfs/dbraw/zinc/44/59/63/761445963.db2.gz OOHCEAAMTKBFNN-ZWKOTPCHSA-N 1 2 349.475 0.470 20 30 ECEDLO C#CCCN1CCOC[C@@H]1CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001051076077 761445967 /nfs/dbraw/zinc/44/59/67/761445967.db2.gz OOHCEAAMTKBFNN-ZWKOTPCHSA-N 1 2 349.475 0.470 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2COCCN2Cc2c[nH+]cn2C)c1 ZINC001051107634 761504054 /nfs/dbraw/zinc/50/40/54/761504054.db2.gz UCZDVONZANIXBK-QGZVFWFLSA-N 1 2 339.399 0.427 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001051125484 761526520 /nfs/dbraw/zinc/52/65/20/761526520.db2.gz RWNFXJBTEFWVLF-KBPBESRZSA-N 1 2 334.424 0.019 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001051125484 761526527 /nfs/dbraw/zinc/52/65/27/761526527.db2.gz RWNFXJBTEFWVLF-KBPBESRZSA-N 1 2 334.424 0.019 20 30 ECEDLO Cc1nc(-n2cccn2)c(C)c(NC[C@H](O)CNC(=O)[C@H](C)C#N)[nH+]1 ZINC001105773599 761700580 /nfs/dbraw/zinc/70/05/80/761700580.db2.gz KCJYLTGKPPAZNV-MFKMUULPSA-N 1 2 343.391 0.328 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([C@H](C)NC(=O)CSCC#N)C1 ZINC001051311966 761866634 /nfs/dbraw/zinc/86/66/34/761866634.db2.gz NZQSBYVGECMFDV-WCQYABFASA-N 1 2 349.460 0.871 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(c2ncccc2C#N)C[C@@H]1O ZINC001051712079 762765773 /nfs/dbraw/zinc/76/57/73/762765773.db2.gz KJMPWLHQEFUOSY-HIFRSBDPSA-N 1 2 340.387 0.283 20 30 ECEDLO Cc1ccc(C#N)c(NC[C@H](O)CNC(=O)CCc2c[nH+]cn2C)n1 ZINC001105928415 762839794 /nfs/dbraw/zinc/83/97/94/762839794.db2.gz VAELBBGTOGIFGY-OAHLLOKOSA-N 1 2 342.403 0.517 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001017528278 768087084 /nfs/dbraw/zinc/08/70/84/768087084.db2.gz CSGPBIDBJCCDND-HIFRSBDPSA-N 1 2 341.415 0.880 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2O)CC1 ZINC000991753567 763242015 /nfs/dbraw/zinc/24/20/15/763242015.db2.gz LYYHLLODGIGMTN-CABCVRRESA-N 1 2 346.431 0.777 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001014850436 763302357 /nfs/dbraw/zinc/30/23/57/763302357.db2.gz GJATYZGDXTWUNG-TZMCWYRMSA-N 1 2 340.387 0.892 20 30 ECEDLO C[C@H](C(N)=O)[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046928362 763402373 /nfs/dbraw/zinc/40/23/73/763402373.db2.gz PZKAPFLVGQWOAX-KOLCDFICSA-N 1 2 339.346 0.447 20 30 ECEDLO C[C@H](C(N)=O)[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001046928362 763402381 /nfs/dbraw/zinc/40/23/81/763402381.db2.gz PZKAPFLVGQWOAX-KOLCDFICSA-N 1 2 339.346 0.447 20 30 ECEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@@H]3CCNC3=O)C2)c1 ZINC001031899437 763447545 /nfs/dbraw/zinc/44/75/45/763447545.db2.gz ADADQRMXWKTCAR-CQSZACIVSA-N 1 2 330.363 0.381 20 30 ECEDLO C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(=O)c(OC)co2)C1 ZINC001046956785 763460389 /nfs/dbraw/zinc/46/03/89/763460389.db2.gz GDDIUKIIKDWNHD-NSHDSACASA-N 1 2 340.326 0.969 20 30 ECEDLO C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(=O)c(OC)co2)C1 ZINC001046956785 763460394 /nfs/dbraw/zinc/46/03/94/763460394.db2.gz GDDIUKIIKDWNHD-NSHDSACASA-N 1 2 340.326 0.969 20 30 ECEDLO CN1C(=O)CC[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031901639 763475714 /nfs/dbraw/zinc/47/57/14/763475714.db2.gz KZEAZXMIUDZOEF-KRWDZBQOSA-N 1 2 343.402 0.846 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC)CCC1(F)F ZINC001046973715 763493180 /nfs/dbraw/zinc/49/31/80/763493180.db2.gz TVIXUDTXDUCDRF-UPJWGTAASA-N 1 2 345.390 0.397 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC)CCC1(F)F ZINC001046973715 763493185 /nfs/dbraw/zinc/49/31/85/763493185.db2.gz TVIXUDTXDUCDRF-UPJWGTAASA-N 1 2 345.390 0.397 20 30 ECEDLO C[C@H](C#N)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C2 ZINC001054658442 768139693 /nfs/dbraw/zinc/13/96/93/768139693.db2.gz REEZRAZIVJIXAD-RJZRQDKASA-N 1 2 329.404 0.998 20 30 ECEDLO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001046993549 763530083 /nfs/dbraw/zinc/53/00/83/763530083.db2.gz PQBMKKVDKQJPJF-STQMWFEESA-N 1 2 348.415 0.660 20 30 ECEDLO C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001046993549 763530089 /nfs/dbraw/zinc/53/00/89/763530089.db2.gz PQBMKKVDKQJPJF-STQMWFEESA-N 1 2 348.415 0.660 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)Cc3cnn(C)c3)C2)CC1 ZINC001051992677 763537638 /nfs/dbraw/zinc/53/76/38/763537638.db2.gz GJUNFCSDWNCCBD-KRWDZBQOSA-N 1 2 331.464 0.757 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(C)n(C)n3)C2)CC1 ZINC001051992567 763538434 /nfs/dbraw/zinc/53/84/34/763538434.db2.gz AXBXSHYRDUPHNA-MRXNPFEDSA-N 1 2 329.448 0.584 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3n[nH]c(C)c3C)C2)CC1 ZINC001051996760 763546168 /nfs/dbraw/zinc/54/61/68/763546168.db2.gz TWBRGBVTDUHJMK-INIZCTEOSA-N 1 2 329.448 0.882 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)CC1 ZINC001052012968 763583781 /nfs/dbraw/zinc/58/37/81/763583781.db2.gz OITXLLFSTLGXEE-MRXNPFEDSA-N 1 2 325.416 0.742 20 30 ECEDLO CCN(CCNc1ccnc(C#N)n1)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001106947427 763604826 /nfs/dbraw/zinc/60/48/26/763604826.db2.gz OTIYKTAKWGGHHA-GFCCVEGCSA-N 1 2 339.403 0.874 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccnn3C3CCC3)C2)CC1 ZINC001052029014 763624711 /nfs/dbraw/zinc/62/47/11/763624711.db2.gz WDXJIZPGGMAMOE-INIZCTEOSA-N 1 2 342.447 0.964 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3OCC[C@H]3C(C)C)C2)CC1 ZINC001052028780 763624844 /nfs/dbraw/zinc/62/48/44/763624844.db2.gz SZOMBOUQZRDFHK-SQNIBIBYSA-N 1 2 333.476 0.899 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3nn(C)cc3Cl)C2)CC1 ZINC001052032468 763634616 /nfs/dbraw/zinc/63/46/16/763634616.db2.gz GWYRSYFBMZXRIA-CYBMUJFWSA-N 1 2 335.839 0.539 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3nn(C)cc3Cl)C2)CC1 ZINC001052032468 763634623 /nfs/dbraw/zinc/63/46/23/763634623.db2.gz GWYRSYFBMZXRIA-CYBMUJFWSA-N 1 2 335.839 0.539 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)CCc3ccnn3C)C2)CC1 ZINC001052035841 763644621 /nfs/dbraw/zinc/64/46/21/763644621.db2.gz RMPUCXXXMIYBSQ-SFHVURJKSA-N 1 2 343.475 0.595 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn4c(n3)CCCC4)C2)CC1 ZINC001052035785 763645277 /nfs/dbraw/zinc/64/52/77/763645277.db2.gz PQYOIUBNQDBENY-OAHLLOKOSA-N 1 2 342.447 0.575 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn4c(n3)CCCC4)C2)CC1 ZINC001052035784 763645494 /nfs/dbraw/zinc/64/54/94/763645494.db2.gz PQYOIUBNQDBENY-HNNXBMFYSA-N 1 2 342.447 0.575 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCCNC3=O)C2)CC1 ZINC001052037274 763653422 /nfs/dbraw/zinc/65/34/22/763653422.db2.gz JLRMZAPQPQAJPN-HOTGVXAUSA-N 1 2 334.464 0.307 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc4n(n3)CCCC4)C2)CC1 ZINC001052040364 763661594 /nfs/dbraw/zinc/66/15/94/763661594.db2.gz DPBLAJDVWRRXPO-KRWDZBQOSA-N 1 2 341.459 0.685 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnc[nH]c3=O)C2)CC1 ZINC001052041236 763665944 /nfs/dbraw/zinc/66/59/44/763665944.db2.gz WPMXQXIOXSNFAO-CQSZACIVSA-N 1 2 329.404 0.038 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@]3(CC)CCNC3=O)C2)CC1 ZINC001052041428 763667154 /nfs/dbraw/zinc/66/71/54/763667154.db2.gz HXIZHNVUNJGFJI-LPHOPBHVSA-N 1 2 348.491 0.697 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cn4c(n3)COCC4)C2)CC1 ZINC001052042985 763673453 /nfs/dbraw/zinc/67/34/53/763673453.db2.gz MBFSMDITHPGANH-OAHLLOKOSA-N 1 2 345.447 0.431 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccc4ncnn43)C2)CC1 ZINC001052046853 763688548 /nfs/dbraw/zinc/68/85/48/763688548.db2.gz FNESBJFOUVHPEL-OAHLLOKOSA-N 1 2 340.431 0.747 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3Cc4ccccc4O3)C2)CC1 ZINC001052047600 763691588 /nfs/dbraw/zinc/69/15/88/763691588.db2.gz SGQLVQTXKSFNHQ-SJLPKXTDSA-N 1 2 340.427 0.732 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c[nH]nc3CC)C2)CC1 ZINC001052048328 763695309 /nfs/dbraw/zinc/69/53/09/763695309.db2.gz QLGHGLHTEREGMK-OAHLLOKOSA-N 1 2 329.448 0.828 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn(C)c3CCC)C2)CC1 ZINC001052048557 763698189 /nfs/dbraw/zinc/69/81/89/763698189.db2.gz XOWPEVSSDXXIDW-INIZCTEOSA-N 1 2 343.475 0.838 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3nc(C)c(C)nc3C)C2)CC1 ZINC001052049697 763702337 /nfs/dbraw/zinc/70/23/37/763702337.db2.gz OKBCKOQBTRTPCM-KRWDZBQOSA-N 1 2 341.459 0.867 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3nc(C)c(C)nc3C)C2)CC1 ZINC001052049697 763702346 /nfs/dbraw/zinc/70/23/46/763702346.db2.gz OKBCKOQBTRTPCM-KRWDZBQOSA-N 1 2 341.459 0.867 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnc4nccn4c3)C2)CC1 ZINC001052052509 763715978 /nfs/dbraw/zinc/71/59/78/763715978.db2.gz OPCQWWJOHCYRNC-INIZCTEOSA-N 1 2 338.415 0.195 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)C3(C4CC4)CCOCC3)C2)CC1 ZINC001052055760 763724460 /nfs/dbraw/zinc/72/44/60/763724460.db2.gz BXCMEQHTNWHXPL-KRWDZBQOSA-N 1 2 346.475 0.935 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)C2)CC1 ZINC001052056449 763727487 /nfs/dbraw/zinc/72/74/87/763727487.db2.gz XLXXZDSDSHORKF-KURKYZTESA-N 1 2 331.460 0.653 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCNC(=O)CC3)C2)CC1 ZINC001052057743 763732136 /nfs/dbraw/zinc/73/21/36/763732136.db2.gz SEQFUAFFIVFYPL-IRXDYDNUSA-N 1 2 346.475 0.145 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)CCc3nc(C)no3)C2)CC1 ZINC001052059239 763735683 /nfs/dbraw/zinc/73/56/83/763735683.db2.gz FABJQTYMVCHVOE-INIZCTEOSA-N 1 2 345.447 0.552 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3ncccc3F)C2)CC1 ZINC001052070029 763767098 /nfs/dbraw/zinc/76/70/98/763767098.db2.gz BBCUVIOSENNOHU-OAHLLOKOSA-N 1 2 330.407 0.615 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@]3(C)CCNC3=O)C2)CC1 ZINC001052081541 763798532 /nfs/dbraw/zinc/79/85/32/763798532.db2.gz NMKXLCQQCKVJIO-MAUKXSAKSA-N 1 2 334.464 0.307 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@]3(C)CCNC3=O)C2)CC1 ZINC001052081543 763799044 /nfs/dbraw/zinc/79/90/44/763799044.db2.gz NMKXLCQQCKVJIO-YJBOKZPZSA-N 1 2 334.464 0.307 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3conc3C3CC3)C2)CC1 ZINC001052081472 763799428 /nfs/dbraw/zinc/79/94/28/763799428.db2.gz MNPZPPHUQBRKTK-CQSZACIVSA-N 1 2 329.404 0.908 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3Cc4ccncc4C3)C2)CC1 ZINC001052083112 763804395 /nfs/dbraw/zinc/80/43/95/763804395.db2.gz JMIVEIVYUCUCBI-IEBWSBKVSA-N 1 2 338.455 0.648 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)Cn3ccc(C)n3)C2)CC1 ZINC001052085985 763812150 /nfs/dbraw/zinc/81/21/50/763812150.db2.gz LXSLZVZXHSGNNO-KRWDZBQOSA-N 1 2 329.448 0.433 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1 ZINC001052092159 763833694 /nfs/dbraw/zinc/83/36/94/763833694.db2.gz UPZAQAVVHNEIOU-MLHJIOFPSA-N 1 2 331.460 0.796 20 30 ECEDLO COCc1cc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)no1 ZINC001052092821 763834485 /nfs/dbraw/zinc/83/44/85/763834485.db2.gz FIQPGTARLXHHLN-CYBMUJFWSA-N 1 2 333.392 0.177 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn4ccccc34)C2)CC1 ZINC001052098935 763855526 /nfs/dbraw/zinc/85/55/26/763855526.db2.gz REKUBKORZUCRDQ-HNNXBMFYSA-N 1 2 338.415 0.690 20 30 ECEDLO CC(C)Cn1cc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)cn1 ZINC001052102389 763866979 /nfs/dbraw/zinc/86/69/79/763866979.db2.gz FMOLVCMVGVOVNM-QGZVFWFLSA-N 1 2 344.463 0.895 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3cn(CCC)nn3)C2)CC1 ZINC001052102617 763867080 /nfs/dbraw/zinc/86/70/80/763867080.db2.gz FXXZLANDWGGFRZ-HNNXBMFYSA-N 1 2 332.452 0.706 20 30 ECEDLO CC(C)n1cc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)nn1 ZINC001052103948 763870283 /nfs/dbraw/zinc/87/02/83/763870283.db2.gz WGIKJTWBWYYWRF-CQSZACIVSA-N 1 2 331.424 0.215 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)Cc3cnn(C)c3)C2)CC1 ZINC001052103740 763870459 /nfs/dbraw/zinc/87/04/59/763870459.db2.gz UEJKPTQOZFKXIU-SJLPKXTDSA-N 1 2 343.475 0.450 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCCCN(C)C3=O)C2)CC1 ZINC001052106233 763880069 /nfs/dbraw/zinc/88/00/69/763880069.db2.gz GDQDTWOXBKWJCE-IRXDYDNUSA-N 1 2 346.475 0.097 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3cnn(CC)c3)C2)CC1 ZINC001052106526 763881551 /nfs/dbraw/zinc/88/15/51/763881551.db2.gz NLWOIXKGHHQGFK-KRWDZBQOSA-N 1 2 329.448 0.297 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3oncc3C)C2)nn1 ZINC001098761183 763898788 /nfs/dbraw/zinc/89/87/88/763898788.db2.gz BTBXRRJHMVJXFG-CQSZACIVSA-N 1 2 328.376 0.775 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c(C)nn(C)c3F)C2)CC1 ZINC001052112897 763909037 /nfs/dbraw/zinc/90/90/37/763909037.db2.gz GYYXFCBZFSDTGU-CQSZACIVSA-N 1 2 335.427 0.886 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCC(=O)N3C)C2)CC1 ZINC001052113261 763911126 /nfs/dbraw/zinc/91/11/26/763911126.db2.gz QPBDXAHNLHOCBZ-SJORKVTESA-N 1 2 346.475 0.239 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)C2)CC1 ZINC001052113409 763912771 /nfs/dbraw/zinc/91/27/71/763912771.db2.gz USBSXIIUUKUAPA-MSOLQXFVSA-N 1 2 348.491 0.649 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(=O)n(C)n3)C2)CC1 ZINC001052115454 763920847 /nfs/dbraw/zinc/92/08/47/763920847.db2.gz WIUAKQGLFZNQRE-OAHLLOKOSA-N 1 2 345.447 0.189 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@@H+](Cc2c(C)nnn2CC)C[C@H]1OC ZINC001212187011 763928255 /nfs/dbraw/zinc/92/82/55/763928255.db2.gz HFVGVHSLOWPHSO-GDBMZVCRSA-N 1 2 333.436 0.725 20 30 ECEDLO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2c(C)nnn2CC)C[C@H]1OC ZINC001212187011 763928266 /nfs/dbraw/zinc/92/82/66/763928266.db2.gz HFVGVHSLOWPHSO-GDBMZVCRSA-N 1 2 333.436 0.725 20 30 ECEDLO CC(C)c1ncncc1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052118700 763934057 /nfs/dbraw/zinc/93/40/57/763934057.db2.gz UWTAODMJFAPOSE-HNNXBMFYSA-N 1 2 342.447 0.956 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCc4c[nH]nc4C3)C2)CC1 ZINC001052118968 763935543 /nfs/dbraw/zinc/93/55/43/763935543.db2.gz FCDJBBJUKMGIMW-DOTOQJQBSA-N 1 2 343.475 0.919 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3noc4c3COCC4)C2)CC1 ZINC001052119756 763936206 /nfs/dbraw/zinc/93/62/06/763936206.db2.gz VLZJQLUSNAATCJ-AWEZNQCLSA-N 1 2 344.415 0.213 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3noc4c3COCC4)C2)CC1 ZINC001052119756 763936215 /nfs/dbraw/zinc/93/62/15/763936215.db2.gz VLZJQLUSNAATCJ-AWEZNQCLSA-N 1 2 344.415 0.213 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)n3nc(C)cc3C)C2)CC1 ZINC001052121818 763943264 /nfs/dbraw/zinc/94/32/64/763943264.db2.gz HVQLQLIEUVGOIH-QZTJIDSGSA-N 1 2 343.475 0.913 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(N(C)C)cn3)C2)CC1 ZINC001052123749 763949989 /nfs/dbraw/zinc/94/99/89/763949989.db2.gz ORNWJQOBZGECKY-QGZVFWFLSA-N 1 2 341.459 0.613 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001088863642 763953304 /nfs/dbraw/zinc/95/33/04/763953304.db2.gz POEDQOYSOLLOCV-XGVBPZLHSA-N 1 2 344.390 0.898 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001088863642 763953312 /nfs/dbraw/zinc/95/33/12/763953312.db2.gz POEDQOYSOLLOCV-XGVBPZLHSA-N 1 2 344.390 0.898 20 30 ECEDLO CN(C(=O)[C@H]1CCOC1)[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001047320914 763985400 /nfs/dbraw/zinc/98/54/00/763985400.db2.gz AJLYIRLTXDWADU-JQFCIGGWSA-N 1 2 347.390 0.737 20 30 ECEDLO CN(C(=O)[C@H]1CCOC1)[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001047320914 763985407 /nfs/dbraw/zinc/98/54/07/763985407.db2.gz AJLYIRLTXDWADU-JQFCIGGWSA-N 1 2 347.390 0.737 20 30 ECEDLO CN(C(=O)[C@@H]1CCOC1)[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047321042 763987605 /nfs/dbraw/zinc/98/76/05/763987605.db2.gz BMXSKTFFJQFPLA-IKGGRYGDSA-N 1 2 329.400 0.598 20 30 ECEDLO CN(C(=O)[C@@H]1CCOC1)[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047321042 763987609 /nfs/dbraw/zinc/98/76/09/763987609.db2.gz BMXSKTFFJQFPLA-IKGGRYGDSA-N 1 2 329.400 0.598 20 30 ECEDLO C=CCOCC(=O)N1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001052215274 764066701 /nfs/dbraw/zinc/06/67/01/764066701.db2.gz PAECYEALHREKNE-ZIAGYGMSSA-N 1 2 334.420 0.756 20 30 ECEDLO C=CCOCC(=O)N1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001052215274 764066706 /nfs/dbraw/zinc/06/67/06/764066706.db2.gz PAECYEALHREKNE-ZIAGYGMSSA-N 1 2 334.420 0.756 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1C(=O)c1cc(C#N)c[nH]1 ZINC001015177597 764079803 /nfs/dbraw/zinc/07/98/03/764079803.db2.gz VVGUHWQLTZEYSG-YPMHNXCESA-N 1 2 340.387 0.961 20 30 ECEDLO Cc1ncoc1C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001047353160 764087367 /nfs/dbraw/zinc/08/73/67/764087367.db2.gz BMGDFYAPLJDCRQ-KBPBESRZSA-N 1 2 329.360 0.500 20 30 ECEDLO Cc1ncoc1C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001047353160 764087376 /nfs/dbraw/zinc/08/73/76/764087376.db2.gz BMGDFYAPLJDCRQ-KBPBESRZSA-N 1 2 329.360 0.500 20 30 ECEDLO CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(OC(C)C)cn2)C1 ZINC001047381533 764172845 /nfs/dbraw/zinc/17/28/45/764172845.db2.gz NBCCNRXQZWTDRD-GJZGRUSLSA-N 1 2 332.404 0.404 20 30 ECEDLO CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnc(OC(C)C)cn2)C1 ZINC001047381533 764172851 /nfs/dbraw/zinc/17/28/51/764172851.db2.gz NBCCNRXQZWTDRD-GJZGRUSLSA-N 1 2 332.404 0.404 20 30 ECEDLO C[C@@H](CCNc1ccnc(C#N)n1)NC(=O)CCCn1cc[nH+]c1 ZINC001106361764 768195853 /nfs/dbraw/zinc/19/58/53/768195853.db2.gz FTXMXVHQPPZSMH-ZDUSSCGKSA-N 1 2 327.392 0.754 20 30 ECEDLO C=CCn1cc(C(=O)NCC2C[NH+](Cc3c(C)nnn3CC)C2)nn1 ZINC001032036092 764225796 /nfs/dbraw/zinc/22/57/96/764225796.db2.gz RNISBQQIDDNYNW-UHFFFAOYSA-N 1 2 344.423 0.246 20 30 ECEDLO C=CCn1cc(C(=O)NCC2C[NH+](Cc3cc(C)ncn3)C2)nn1 ZINC001032036304 764230110 /nfs/dbraw/zinc/23/01/10/764230110.db2.gz XRTPVSIWZIPRQB-UHFFFAOYSA-N 1 2 327.392 0.424 20 30 ECEDLO C[C@H](c1nnnn1C)[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001052320087 764244245 /nfs/dbraw/zinc/24/42/45/764244245.db2.gz NJFSNKODNYXTRH-VXGBXAGGSA-N 1 2 342.407 0.755 20 30 ECEDLO C[C@H](c1nnnn1C)[N@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001052320087 764244253 /nfs/dbraw/zinc/24/42/53/764244253.db2.gz NJFSNKODNYXTRH-VXGBXAGGSA-N 1 2 342.407 0.755 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3oc(CC)nc3C)C2)nn1 ZINC001098763062 764311441 /nfs/dbraw/zinc/31/14/41/764311441.db2.gz SYWZDPUUAOSYSH-CQSZACIVSA-N 1 2 342.403 0.947 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)(F)F)ncn2)C1 ZINC001047455661 764398919 /nfs/dbraw/zinc/39/89/19/764398919.db2.gz BKEPQUSCPGZRTB-QWRGUYRKSA-N 1 2 328.294 0.246 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C(F)(F)F)ncn2)C1 ZINC001047455661 764398923 /nfs/dbraw/zinc/39/89/23/764398923.db2.gz BKEPQUSCPGZRTB-QWRGUYRKSA-N 1 2 328.294 0.246 20 30 ECEDLO C[C@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CNC(=O)C1 ZINC001015374726 764470236 /nfs/dbraw/zinc/47/02/36/764470236.db2.gz GKTLNGNQHVWMRP-RDTXWAMCSA-N 1 2 344.390 0.914 20 30 ECEDLO C[C@]1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CNC(=O)C1 ZINC001015374726 764470239 /nfs/dbraw/zinc/47/02/39/764470239.db2.gz GKTLNGNQHVWMRP-RDTXWAMCSA-N 1 2 344.390 0.914 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2nccnc2C)C[C@@H]1O ZINC001047533544 764618252 /nfs/dbraw/zinc/61/82/52/764618252.db2.gz VIYYVLKDWKZAKY-IWCQGFGOSA-N 1 2 346.431 0.380 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2nccnc2C)C[C@@H]1O ZINC001047533544 764618259 /nfs/dbraw/zinc/61/82/59/764618259.db2.gz VIYYVLKDWKZAKY-IWCQGFGOSA-N 1 2 346.431 0.380 20 30 ECEDLO C=CCn1cc(C(=O)N(C)[C@H]2C[N@H+](Cc3cnc(C)o3)C[C@@H]2O)nn1 ZINC001047554202 764678854 /nfs/dbraw/zinc/67/88/54/764678854.db2.gz OMONTIBEFQZGGS-GJZGRUSLSA-N 1 2 346.391 0.078 20 30 ECEDLO C=CCn1cc(C(=O)N(C)[C@H]2C[N@@H+](Cc3cnc(C)o3)C[C@@H]2O)nn1 ZINC001047554202 764678862 /nfs/dbraw/zinc/67/88/62/764678862.db2.gz OMONTIBEFQZGGS-GJZGRUSLSA-N 1 2 346.391 0.078 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2cc(C)no2)C[C@@H]1O ZINC001047561326 764697032 /nfs/dbraw/zinc/69/70/32/764697032.db2.gz CTPXYVNLCWBIQW-QAETUUGQSA-N 1 2 349.431 0.968 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2cc(C)no2)C[C@@H]1O ZINC001047561326 764697035 /nfs/dbraw/zinc/69/70/35/764697035.db2.gz CTPXYVNLCWBIQW-QAETUUGQSA-N 1 2 349.431 0.968 20 30 ECEDLO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001052554020 764747210 /nfs/dbraw/zinc/74/72/10/764747210.db2.gz MXWMVMIZCLUYKL-ZBFHGGJFSA-N 1 2 328.416 0.897 20 30 ECEDLO C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]c2-c2cnn(C)c2)C1 ZINC001047592345 764805270 /nfs/dbraw/zinc/80/52/70/764805270.db2.gz KUFXVFLFUKGGCZ-GJZGRUSLSA-N 1 2 344.419 0.503 20 30 ECEDLO C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cn[nH]c2-c2cnn(C)c2)C1 ZINC001047592345 764805278 /nfs/dbraw/zinc/80/52/78/764805278.db2.gz KUFXVFLFUKGGCZ-GJZGRUSLSA-N 1 2 344.419 0.503 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C)C1 ZINC000993156709 768242488 /nfs/dbraw/zinc/24/24/88/768242488.db2.gz NKRFYANZJOBFGO-BEFAXECRSA-N 1 2 340.427 0.683 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2nc3ncccn3n2)[C@H]1C ZINC001089037408 764852033 /nfs/dbraw/zinc/85/20/33/764852033.db2.gz CRKOJWFWYUHKCF-NEPJUHHUSA-N 1 2 334.811 0.998 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2nc3ncccn3n2)[C@H]1C ZINC001089037408 764852041 /nfs/dbraw/zinc/85/20/41/764852041.db2.gz CRKOJWFWYUHKCF-NEPJUHHUSA-N 1 2 334.811 0.998 20 30 ECEDLO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3nnn(C)n3)C2)cc1C#N ZINC001015543837 764919305 /nfs/dbraw/zinc/91/93/05/764919305.db2.gz BSDZQFUWJRNDMU-ZDUSSCGKSA-N 1 2 341.375 0.095 20 30 ECEDLO COc1ccc(C[N@H+]2CC[C@H](NC(=O)c3nnn(C)n3)C2)cc1C#N ZINC001015543837 764919309 /nfs/dbraw/zinc/91/93/09/764919309.db2.gz BSDZQFUWJRNDMU-ZDUSSCGKSA-N 1 2 341.375 0.095 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001015544219 764920093 /nfs/dbraw/zinc/92/00/93/764920093.db2.gz DJMQJXBQSDQUAA-ZDUSSCGKSA-N 1 2 341.375 0.095 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001015544219 764920098 /nfs/dbraw/zinc/92/00/98/764920098.db2.gz DJMQJXBQSDQUAA-ZDUSSCGKSA-N 1 2 341.375 0.095 20 30 ECEDLO Cn1nnc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001015554592 764952242 /nfs/dbraw/zinc/95/22/42/764952242.db2.gz OKDFIUAIMSRLSY-LBPRGKRZSA-N 1 2 329.339 0.225 20 30 ECEDLO Cn1nnc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001015554592 764952245 /nfs/dbraw/zinc/95/22/45/764952245.db2.gz OKDFIUAIMSRLSY-LBPRGKRZSA-N 1 2 329.339 0.225 20 30 ECEDLO CCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccnc(C#N)n2)C1 ZINC001052711009 765026289 /nfs/dbraw/zinc/02/62/89/765026289.db2.gz GBWXQDCXXXLZIF-VXGBXAGGSA-N 1 2 325.376 0.320 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3[nH]cnc3C)C2)nn1 ZINC001098775499 765029080 /nfs/dbraw/zinc/02/90/80/765029080.db2.gz ZIJQEOLVVYRWLJ-OAHLLOKOSA-N 1 2 341.419 0.439 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2nccnc2F)C1 ZINC001052727179 765047004 /nfs/dbraw/zinc/04/70/04/765047004.db2.gz HLVHANNOVADYTD-QJPTWQEYSA-N 1 2 343.366 0.915 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cnn(C)n3)CC2)nn1 ZINC001052775210 765098448 /nfs/dbraw/zinc/09/84/48/765098448.db2.gz RHPMNCWJMABNJN-ZDUSSCGKSA-N 1 2 344.423 0.377 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cnn(C)n3)CC2)nn1 ZINC001052775210 765098458 /nfs/dbraw/zinc/09/84/58/765098458.db2.gz RHPMNCWJMABNJN-ZDUSSCGKSA-N 1 2 344.423 0.377 20 30 ECEDLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001015707691 765202592 /nfs/dbraw/zinc/20/25/92/765202592.db2.gz RXUTXCVFNUNACV-IXDOHACOSA-N 1 2 340.427 0.973 20 30 ECEDLO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001015707691 765202596 /nfs/dbraw/zinc/20/25/96/765202596.db2.gz RXUTXCVFNUNACV-IXDOHACOSA-N 1 2 340.427 0.973 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](C)OCCOCC)C2)nn1 ZINC001098785626 768279188 /nfs/dbraw/zinc/27/91/88/768279188.db2.gz WDUKCDVLSGFEFJ-ZBFHGGJFSA-N 1 2 349.435 0.216 20 30 ECEDLO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(S(N)(=O)=O)c1 ZINC001017670803 768276552 /nfs/dbraw/zinc/27/65/52/768276552.db2.gz JVQHFQHRBOWBJE-BETUJISGSA-N 1 2 339.417 0.792 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(S(N)(=O)=O)c1 ZINC001017670803 768276556 /nfs/dbraw/zinc/27/65/56/768276556.db2.gz JVQHFQHRBOWBJE-BETUJISGSA-N 1 2 339.417 0.792 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)C2)cc1 ZINC001015808846 765366001 /nfs/dbraw/zinc/36/60/01/765366001.db2.gz DQIJMJVEOBAQKO-INIZCTEOSA-N 1 2 341.411 0.781 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)C2)cc1 ZINC001015808846 765366011 /nfs/dbraw/zinc/36/60/11/765366011.db2.gz DQIJMJVEOBAQKO-INIZCTEOSA-N 1 2 341.411 0.781 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cnnn2CC)C1 ZINC001015829699 765392354 /nfs/dbraw/zinc/39/23/54/765392354.db2.gz ZLVWHIACIPLVMR-BPUTZDHNSA-N 1 2 333.436 0.970 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cnnn2CC)C1 ZINC001015829699 765392364 /nfs/dbraw/zinc/39/23/64/765392364.db2.gz ZLVWHIACIPLVMR-BPUTZDHNSA-N 1 2 333.436 0.970 20 30 ECEDLO Cn1ncc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)n1 ZINC001015845726 765432369 /nfs/dbraw/zinc/43/23/69/765432369.db2.gz PWQPSUGBHGQOAJ-CYBMUJFWSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)n1 ZINC001015845726 765432373 /nfs/dbraw/zinc/43/23/73/765432373.db2.gz PWQPSUGBHGQOAJ-CYBMUJFWSA-N 1 2 328.351 0.830 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CS(C)(=O)=O)C1 ZINC001053066689 765540859 /nfs/dbraw/zinc/54/08/59/765540859.db2.gz CAPKYGZPZNHJGE-LSDHHAIUSA-N 1 2 326.462 0.757 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CS(C)(=O)=O)C1 ZINC001053066689 765540863 /nfs/dbraw/zinc/54/08/63/765540863.db2.gz CAPKYGZPZNHJGE-LSDHHAIUSA-N 1 2 326.462 0.757 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)CCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106442826 768308483 /nfs/dbraw/zinc/30/84/83/768308483.db2.gz LWQTZCKVJXRTKI-LBPRGKRZSA-N 1 2 334.424 0.593 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1CNC(=O)C#CC1CC1 ZINC001053155287 765669007 /nfs/dbraw/zinc/66/90/07/765669007.db2.gz HQPZHXURPKOMJF-GDBMZVCRSA-N 1 2 342.443 0.977 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)nc1 ZINC001016024918 765728933 /nfs/dbraw/zinc/72/89/33/765728933.db2.gz STCHAKBSYVJIKW-HNNXBMFYSA-N 1 2 326.400 0.489 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCCC3)C2)nc1 ZINC001016024918 765728936 /nfs/dbraw/zinc/72/89/36/765728936.db2.gz STCHAKBSYVJIKW-HNNXBMFYSA-N 1 2 326.400 0.489 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@@H+]1Cc1cnnn1C ZINC000993175187 768322607 /nfs/dbraw/zinc/32/26/07/768322607.db2.gz YWNRRRKPBODJNB-SMDDNHRTSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@H+]1Cc1cnnn1C ZINC000993175187 768322615 /nfs/dbraw/zinc/32/26/15/768322615.db2.gz YWNRRRKPBODJNB-SMDDNHRTSA-N 1 2 327.392 0.798 20 30 ECEDLO CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCS(=O)(=O)C3)CCC[C@H]12 ZINC000992271810 766114456 /nfs/dbraw/zinc/11/44/56/766114456.db2.gz OBEYTXOCSVQJCR-HLLBOEOZSA-N 1 2 338.473 0.948 20 30 ECEDLO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCS(=O)(=O)C3)CCC[C@H]12 ZINC000992271810 766114462 /nfs/dbraw/zinc/11/44/62/766114462.db2.gz OBEYTXOCSVQJCR-HLLBOEOZSA-N 1 2 338.473 0.948 20 30 ECEDLO C=CCCOCC(=O)NC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001053508499 766259735 /nfs/dbraw/zinc/25/97/35/766259735.db2.gz OABYCRYNBMVPBN-UONOGXRCSA-N 1 2 334.420 0.756 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1nc3nccc(C)n3n1)CCO2 ZINC001053522703 766276663 /nfs/dbraw/zinc/27/66/63/766276663.db2.gz DXUJCJPCQGIMBR-UHFFFAOYSA-N 1 2 342.403 0.536 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cccnc1C(N)=O)CCO2 ZINC001053539173 766303373 /nfs/dbraw/zinc/30/33/73/766303373.db2.gz PPAPCJDLZXBGMG-UHFFFAOYSA-N 1 2 330.388 0.283 20 30 ECEDLO C#CCN1CC2(C1)CN(C(=O)[C@@H](c1cccnc1)[NH+](C)C)CCO2 ZINC001053542670 766308903 /nfs/dbraw/zinc/30/89/03/766308903.db2.gz LYJGINFZQTVJTO-MRXNPFEDSA-N 1 2 328.416 0.231 20 30 ECEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3COC(=O)N3)C2)ccc1F ZINC001031647487 766333795 /nfs/dbraw/zinc/33/37/95/766333795.db2.gz MDNIPTIRZRLERN-CQSZACIVSA-N 1 2 332.335 0.354 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ocnc3C)C[C@@H]2O)cc1 ZINC001083691344 766364042 /nfs/dbraw/zinc/36/40/42/766364042.db2.gz KREZRVQZQVVGPD-CVEARBPZSA-N 1 2 325.368 0.939 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ocnc3C)C[C@@H]2O)cc1 ZINC001083691344 766364047 /nfs/dbraw/zinc/36/40/47/766364047.db2.gz KREZRVQZQVVGPD-CVEARBPZSA-N 1 2 325.368 0.939 20 30 ECEDLO C=CCCC1(C(=O)NCC2(O)CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001045784346 766366951 /nfs/dbraw/zinc/36/69/51/766366951.db2.gz ABWKQCALKYHGNK-UHFFFAOYSA-N 1 2 332.404 0.388 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3nccnc3C)C[C@@H]2O)cc1 ZINC001083691256 766367150 /nfs/dbraw/zinc/36/71/50/766367150.db2.gz GXGINNGFJMJSFU-MSOLQXFVSA-N 1 2 336.395 0.741 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3nccnc3C)C[C@@H]2O)cc1 ZINC001083691256 766367158 /nfs/dbraw/zinc/36/71/58/766367158.db2.gz GXGINNGFJMJSFU-MSOLQXFVSA-N 1 2 336.395 0.741 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccnn1CCOC)O2 ZINC001053615959 766440522 /nfs/dbraw/zinc/44/05/22/766440522.db2.gz VDKCVYITIOFQHE-AWEZNQCLSA-N 1 2 334.420 0.679 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cn3cccnc3n1)O2 ZINC001053620794 766455374 /nfs/dbraw/zinc/45/53/74/766455374.db2.gz UJZOCUHAGRMBRQ-ZDUSSCGKSA-N 1 2 327.388 0.879 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cc(=O)c(OC)c[nH]1)O2 ZINC001053627988 766472385 /nfs/dbraw/zinc/47/23/85/766472385.db2.gz ACANSVHYFFBHKH-CYBMUJFWSA-N 1 2 347.415 0.923 20 30 ECEDLO Cc1nc(N(C)C)nc(NC[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)[nH+]1 ZINC001053656211 766524258 /nfs/dbraw/zinc/52/42/58/766524258.db2.gz MHTRELYOVQHLKY-NQBHXWOUSA-N 1 2 331.424 0.912 20 30 ECEDLO C#CCOc1ccc(C(=O)NC[C@@H]2CCC3(C[NH+](CCO)C3)O2)cc1 ZINC001053673130 766553326 /nfs/dbraw/zinc/55/33/26/766553326.db2.gz RVKLUCKHPUBFII-KRWDZBQOSA-N 1 2 344.411 0.654 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)nc2)C[C@H]1OC ZINC001212255834 766563407 /nfs/dbraw/zinc/56/34/07/766563407.db2.gz RGWGNARBTMSHSC-NUEKZKHPSA-N 1 2 347.415 0.444 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)nc2)C[C@H]1OC ZINC001212255834 766563411 /nfs/dbraw/zinc/56/34/11/766563411.db2.gz RGWGNARBTMSHSC-NUEKZKHPSA-N 1 2 347.415 0.444 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(=O)n(CC)n1)O2 ZINC001053680897 766570615 /nfs/dbraw/zinc/57/06/15/766570615.db2.gz AWOGZDONYDBOQN-CYBMUJFWSA-N 1 2 332.404 0.412 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCc3n[nH]nc3C1)O2 ZINC001053686051 766586342 /nfs/dbraw/zinc/58/63/42/766586342.db2.gz FQRKITUKKIRKIT-KGLIPLIRSA-N 1 2 345.447 0.835 20 30 ECEDLO C[C@H](CC(=O)NC[C@H](O)CNc1ncc(C#N)cc1F)n1cc[nH+]c1 ZINC001106132068 766604000 /nfs/dbraw/zinc/60/40/00/766604000.db2.gz RGMGVCSBJMZERC-YPMHNXCESA-N 1 2 346.366 0.829 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cncc(C(N)=O)c1)O2 ZINC001053698954 766615820 /nfs/dbraw/zinc/61/58/20/766615820.db2.gz ZOGJQJBXZLAIDO-CQSZACIVSA-N 1 2 330.388 0.330 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2ccnc(OC)c2)C[C@H]1OC ZINC001212262266 766676699 /nfs/dbraw/zinc/67/66/99/766676699.db2.gz JJDILKKFACNYHY-HZPDHXFCSA-N 1 2 347.415 0.446 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2ccnc(OC)c2)C[C@H]1OC ZINC001212262266 766676702 /nfs/dbraw/zinc/67/67/02/766676702.db2.gz JJDILKKFACNYHY-HZPDHXFCSA-N 1 2 347.415 0.446 20 30 ECEDLO CCc1ccnc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)c1 ZINC001046032291 766704259 /nfs/dbraw/zinc/70/42/59/766704259.db2.gz ILSPJUDTKGFWLX-MRXNPFEDSA-N 1 2 327.432 1.000 20 30 ECEDLO N#CCN1CC[C@@H](N2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)C1 ZINC001046038348 766737807 /nfs/dbraw/zinc/73/78/07/766737807.db2.gz KVVXSNXKRLGHJL-OAHLLOKOSA-N 1 2 338.415 0.919 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cc4c[nH]ccc-4n3)CC2)C1 ZINC001046038348 766737814 /nfs/dbraw/zinc/73/78/14/766737814.db2.gz KVVXSNXKRLGHJL-OAHLLOKOSA-N 1 2 338.415 0.919 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@H]3CCc4cncn4C3)CC2)C1 ZINC001046040185 766745518 /nfs/dbraw/zinc/74/55/18/766745518.db2.gz GGTSRQQYAZTMTL-DOTOQJQBSA-N 1 2 342.447 0.188 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)C1 ZINC001046043844 766763125 /nfs/dbraw/zinc/76/31/25/766763125.db2.gz FRAGUCVUJSVVCY-CQSZACIVSA-N 1 2 344.419 0.021 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 ZINC001106132838 766775970 /nfs/dbraw/zinc/77/59/70/766775970.db2.gz ASTSJISMJWAZSN-XHDPSFHLSA-N 1 2 328.376 0.444 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](O)CNc1ccc(C#N)nc1 ZINC001106132838 766775975 /nfs/dbraw/zinc/77/59/75/766775975.db2.gz ASTSJISMJWAZSN-XHDPSFHLSA-N 1 2 328.376 0.444 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 ZINC001106132857 766776090 /nfs/dbraw/zinc/77/60/90/766776090.db2.gz BGAMFJSRGMXRSV-RISCZKNCSA-N 1 2 328.376 0.444 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 ZINC001106132857 766776094 /nfs/dbraw/zinc/77/60/94/766776094.db2.gz BGAMFJSRGMXRSV-RISCZKNCSA-N 1 2 328.376 0.444 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[NH+]([C@H]2CCN(Cc3nncn3C)C2)CC1 ZINC001046051431 766791924 /nfs/dbraw/zinc/79/19/24/766791924.db2.gz HCFHEIPXGNJBAB-HNNXBMFYSA-N 1 2 346.479 0.746 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3nccc4[nH]ccc43)CC2)C1 ZINC001046064513 766844528 /nfs/dbraw/zinc/84/45/28/766844528.db2.gz OTDXUEXQSLXUHV-AWEZNQCLSA-N 1 2 338.415 0.919 20 30 ECEDLO CN(C)c1cc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)ccn1 ZINC001046067426 766859351 /nfs/dbraw/zinc/85/93/51/766859351.db2.gz ZEXZRZPFODHXPW-INIZCTEOSA-N 1 2 342.447 0.503 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cnn4ccccc34)CC2)C1 ZINC001046071806 766879321 /nfs/dbraw/zinc/87/93/21/766879321.db2.gz NEEJWIPSYLITOD-OAHLLOKOSA-N 1 2 338.415 0.690 20 30 ECEDLO CCc1c[nH]c(=O)c(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)c1 ZINC001046073143 766884745 /nfs/dbraw/zinc/88/47/45/766884745.db2.gz WOFISDXGKVKEGQ-HNNXBMFYSA-N 1 2 343.431 0.705 20 30 ECEDLO C=CCN1CC2(C1)C[C@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)CO2 ZINC001053807352 766899216 /nfs/dbraw/zinc/89/92/16/766899216.db2.gz IKGQDOYBOOZVRG-HNNXBMFYSA-N 1 2 330.432 0.907 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)C3CC4(C3)CCOCC4)CC2)C1 ZINC001046078044 766909076 /nfs/dbraw/zinc/90/90/76/766909076.db2.gz SKXWTPNZPNCZJP-KRWDZBQOSA-N 1 2 346.475 0.935 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn(C)nc1C1CC1)CO2 ZINC001053815268 766914399 /nfs/dbraw/zinc/91/43/99/766914399.db2.gz JRENTRIUIJBXGR-CQSZACIVSA-N 1 2 328.416 0.894 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1c3c(nn1C)CCCC3)CO2 ZINC001053815780 766917030 /nfs/dbraw/zinc/91/70/30/766917030.db2.gz VVLZRORRRSRLTB-AWEZNQCLSA-N 1 2 342.443 0.895 20 30 ECEDLO CN(C)c1ccnc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)c1 ZINC001046085461 766926774 /nfs/dbraw/zinc/92/67/74/766926774.db2.gz PIFSNVYDGILCQD-MRXNPFEDSA-N 1 2 342.447 0.503 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@H]3CC34CCOCC4)CC2)C1 ZINC001046090067 766931995 /nfs/dbraw/zinc/93/19/95/766931995.db2.gz NJCSNALLBSJUAW-JKSUJKDBSA-N 1 2 332.448 0.545 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ncc(OC)cc1F)CO2 ZINC001053825586 766949417 /nfs/dbraw/zinc/94/94/17/766949417.db2.gz UWSGLKNQBDDZDI-LBPRGKRZSA-N 1 2 333.363 0.826 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1cc(C3CC3)nn1)CO2 ZINC001053826444 766951710 /nfs/dbraw/zinc/95/17/10/766951710.db2.gz ANFBHJRUJBWCIG-AWEZNQCLSA-N 1 2 329.404 0.138 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccnn1CCOC)CO2 ZINC001053838779 766983356 /nfs/dbraw/zinc/98/33/56/766983356.db2.gz LRRBLWFVHDHRIG-CQSZACIVSA-N 1 2 332.404 0.126 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3ncccc3C)C[C@@H]2O)c1 ZINC001083765021 766998607 /nfs/dbraw/zinc/99/86/07/766998607.db2.gz JOLWAKRPCRWNAR-MSOLQXFVSA-N 1 2 336.395 0.741 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3ncccc3C)C[C@@H]2O)c1 ZINC001083765021 766998614 /nfs/dbraw/zinc/99/86/14/766998614.db2.gz JOLWAKRPCRWNAR-MSOLQXFVSA-N 1 2 336.395 0.741 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cc1cn3ccccc3n1)CO2 ZINC001053846591 767004525 /nfs/dbraw/zinc/00/45/25/767004525.db2.gz JNGRSSLULZIEQY-INIZCTEOSA-N 1 2 338.411 0.860 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc(C(N)=O)c1)CO2 ZINC001053849752 767014841 /nfs/dbraw/zinc/01/48/41/767014841.db2.gz SYABPPYOPNWVTK-HNNXBMFYSA-N 1 2 327.384 0.382 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCn3cncc3C1)CO2 ZINC001053850847 767017603 /nfs/dbraw/zinc/01/76/03/767017603.db2.gz GMTBMKYIBXDIMP-LSDHHAIUSA-N 1 2 328.416 0.428 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(C)nnc1CC)CO2 ZINC001053851769 767022086 /nfs/dbraw/zinc/02/20/86/767022086.db2.gz AGJFGOCKXRXUAL-CQSZACIVSA-N 1 2 328.416 0.944 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1Cc3ccccc3O1)CO2 ZINC001053865088 767070185 /nfs/dbraw/zinc/07/01/85/767070185.db2.gz QUHIRADBADOUBY-DOTOQJQBSA-N 1 2 326.396 0.973 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3nc(C)nn3C1)CO2 ZINC001053878811 767127320 /nfs/dbraw/zinc/12/73/20/767127320.db2.gz KDXJBDYEJYVMKM-GJZGRUSLSA-N 1 2 345.447 0.685 20 30 ECEDLO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001046307744 767138683 /nfs/dbraw/zinc/13/86/83/767138683.db2.gz XZPQEBMAKQENOR-UHFFFAOYSA-N 1 2 332.404 0.388 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)C[C@H]1OC ZINC001212337179 767253077 /nfs/dbraw/zinc/25/30/77/767253077.db2.gz ASRXYFZWRYYGOB-JHJVBQTASA-N 1 2 343.855 0.859 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1OC ZINC001212337179 767253079 /nfs/dbraw/zinc/25/30/79/767253079.db2.gz ASRXYFZWRYYGOB-JHJVBQTASA-N 1 2 343.855 0.859 20 30 ECEDLO CN(C(=O)Cc1[nH]cc[nH+]1)C1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001016932184 767339482 /nfs/dbraw/zinc/33/94/82/767339482.db2.gz CUBWGBFQLXFQPF-UHFFFAOYSA-N 1 2 326.360 0.571 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1nnc3c1CCCC3)CO2 ZINC001053924403 767372387 /nfs/dbraw/zinc/37/23/87/767372387.db2.gz RWIXPMKZIAEBLA-CQSZACIVSA-N 1 2 345.447 0.693 20 30 ECEDLO CC#CCN1CC2(C1)C[C@H](NC(=O)[C@H]1CCCc3[nH+]c[nH]c31)CO2 ZINC001053926193 767381405 /nfs/dbraw/zinc/38/14/05/767381405.db2.gz YUGUINWARHXVRO-KBPBESRZSA-N 1 2 328.416 0.812 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1COC2(CN(Cc3c[nH+]cn3C)C2)C1 ZINC001053928400 767387397 /nfs/dbraw/zinc/38/73/97/767387397.db2.gz ZARUMCVUKNXCIO-BMFZPTHFSA-N 1 2 346.431 0.471 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccnc(N(C)C)c1)CO2 ZINC001053944821 767419463 /nfs/dbraw/zinc/41/94/63/767419463.db2.gz IZUBQAWAOFSKQW-OAHLLOKOSA-N 1 2 328.416 0.744 20 30 ECEDLO N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)nc1 ZINC001106158702 767426187 /nfs/dbraw/zinc/42/61/87/767426187.db2.gz ZRWVMJYWKLAUBJ-YNEHKIRRSA-N 1 2 326.360 0.369 20 30 ECEDLO N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)nc1 ZINC001106158702 767426189 /nfs/dbraw/zinc/42/61/89/767426189.db2.gz ZRWVMJYWKLAUBJ-YNEHKIRRSA-N 1 2 326.360 0.369 20 30 ECEDLO N#CCN1CC2(C1)C[C@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)CO2 ZINC001053972658 767498726 /nfs/dbraw/zinc/49/87/26/767498726.db2.gz JAFANEQSHGNVOX-ZDUSSCGKSA-N 1 2 338.371 0.364 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cn([C@H]3CCOC3)nn1)CO2 ZINC001053977472 767511466 /nfs/dbraw/zinc/51/14/66/767511466.db2.gz VVIOAXGZTIUZFX-KBPBESRZSA-N 1 2 347.419 0.389 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cccn3c(=O)[nH]nc13)CO2 ZINC001053981341 767523401 /nfs/dbraw/zinc/52/34/01/767523401.db2.gz IGWLCXMQHAIWFC-GFCCVEGCSA-N 1 2 343.387 0.584 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(N(C)C)nn1)CO2 ZINC001053984922 767533314 /nfs/dbraw/zinc/53/33/14/767533314.db2.gz GMUDDCYVKSEHCA-CYBMUJFWSA-N 1 2 329.404 0.139 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2cnoc2)C1=O ZINC001017838965 768442113 /nfs/dbraw/zinc/44/21/13/768442113.db2.gz GKWOKMQSEPFDFX-XHSDSOJGSA-N 1 2 344.415 0.679 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2cnoc2)C1=O ZINC001017838965 768442115 /nfs/dbraw/zinc/44/21/15/768442115.db2.gz GKWOKMQSEPFDFX-XHSDSOJGSA-N 1 2 344.415 0.679 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CN(C(=O)[C@H](C)C#N)C[C@@]2(C)C1 ZINC000993199659 768451716 /nfs/dbraw/zinc/45/17/16/768451716.db2.gz BCMTWRXXARKRLC-BTJLNZGRSA-N 1 2 329.404 0.727 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@@H+]1Cc1cnnn1C ZINC000993204643 768464970 /nfs/dbraw/zinc/46/49/70/768464970.db2.gz RADQIGRKAJWVBD-ABAIWWIYSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@H+]1Cc1cnnn1C ZINC000993204643 768464974 /nfs/dbraw/zinc/46/49/74/768464974.db2.gz RADQIGRKAJWVBD-ABAIWWIYSA-N 1 2 327.392 0.798 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001055313286 768768539 /nfs/dbraw/zinc/76/85/39/768768539.db2.gz JRPUAXJEKLUYFP-IIYDPXPESA-N 1 2 332.404 0.196 20 30 ECEDLO N#Cc1cnc(N[C@@H]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]23)cn1 ZINC001060556786 768803847 /nfs/dbraw/zinc/80/38/47/768803847.db2.gz HHTHZHBNYBWMPN-KCPJHIHWSA-N 1 2 337.387 0.963 20 30 ECEDLO N#Cc1cnccc1N[C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001060557659 768806939 /nfs/dbraw/zinc/80/69/39/768806939.db2.gz OQLGFWZUOKQXLS-YLQAJVPDSA-N 1 2 336.399 0.990 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC001055379767 768836943 /nfs/dbraw/zinc/83/69/43/768836943.db2.gz RLCFRVLWGLFGNL-KFWWJZLASA-N 1 2 346.431 0.769 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001055381104 768839013 /nfs/dbraw/zinc/83/90/13/768839013.db2.gz SVNZROFFSMCXJU-MCIONIFRSA-N 1 2 332.404 0.460 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1-n1cnnn1 ZINC001018253619 768975813 /nfs/dbraw/zinc/97/58/13/768975813.db2.gz HLICPRFLUCOKLQ-GASCZTMLSA-N 1 2 336.399 0.974 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1-n1cnnn1 ZINC001018253619 768975818 /nfs/dbraw/zinc/97/58/18/768975818.db2.gz HLICPRFLUCOKLQ-GASCZTMLSA-N 1 2 336.399 0.974 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3n[nH]cc3C)C2)CC1 ZINC001018363422 769202038 /nfs/dbraw/zinc/20/20/38/769202038.db2.gz MEAIVIYOYVRUPR-HNNXBMFYSA-N 1 2 345.447 0.901 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)c2cn[nH]n2)CC1 ZINC001055596690 769215410 /nfs/dbraw/zinc/21/54/10/769215410.db2.gz APDVHKHOOOTEFZ-OLZOCXBDSA-N 1 2 348.451 0.573 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)c2cnn[nH]2)CC1 ZINC001055596690 769215415 /nfs/dbraw/zinc/21/54/15/769215415.db2.gz APDVHKHOOOTEFZ-OLZOCXBDSA-N 1 2 348.451 0.573 20 30 ECEDLO C=CC(C)(C)C(=O)N1CCC[C@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC001018370989 769227712 /nfs/dbraw/zinc/22/77/12/769227712.db2.gz VTFDDPWALNGISN-HNNXBMFYSA-N 1 2 337.464 0.574 20 30 ECEDLO C=C1CC(C)(C(=O)NC2CC[NH+](CCNC(=O)c3ncn[nH]3)CC2)C1 ZINC001055613882 769255067 /nfs/dbraw/zinc/25/50/67/769255067.db2.gz MHVYAABCHFUNOA-UHFFFAOYSA-N 1 2 346.435 0.471 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)c2cnco2)C1 ZINC000993629071 769441210 /nfs/dbraw/zinc/44/12/10/769441210.db2.gz AOGYPSJFQFISAQ-QJPTWQEYSA-N 1 2 342.359 0.292 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C2(C)CC2)C1 ZINC000993629680 769442305 /nfs/dbraw/zinc/44/23/05/769442305.db2.gz CVFFXWZPKHQXSF-YNEHKIRRSA-N 1 2 329.404 0.790 20 30 ECEDLO CCc1nc(C#N)cc(N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)n1 ZINC001055790489 769723662 /nfs/dbraw/zinc/72/36/62/769723662.db2.gz SSUFOTXFGSEKIT-UHFFFAOYSA-N 1 2 339.403 0.915 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC001018865916 770134617 /nfs/dbraw/zinc/13/46/17/770134617.db2.gz WGYZKNOFDAJRMJ-MJBXVCDLSA-N 1 2 349.435 0.807 20 30 ECEDLO CC(C)C#CC(=O)N[C@@]1(CO)CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001055933009 770269884 /nfs/dbraw/zinc/26/98/84/770269884.db2.gz JRMLDZPDOSVIKP-SFHVURJKSA-N 1 2 346.431 0.471 20 30 ECEDLO C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001055994816 770487702 /nfs/dbraw/zinc/48/77/02/770487702.db2.gz HYIDNXCAXZMZKZ-HBUWYVDXSA-N 1 2 346.431 0.949 20 30 ECEDLO C=CCCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001055994816 770487705 /nfs/dbraw/zinc/48/77/05/770487705.db2.gz HYIDNXCAXZMZKZ-HBUWYVDXSA-N 1 2 346.431 0.949 20 30 ECEDLO N#Cc1nccc(N2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CC2)n1 ZINC001056011475 770544639 /nfs/dbraw/zinc/54/46/39/770544639.db2.gz AYHOCCYWGKZWNN-LBPRGKRZSA-N 1 2 337.387 0.840 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CCN(c2ccc(C#N)nn2)CC1 ZINC001056095393 770812434 /nfs/dbraw/zinc/81/24/34/770812434.db2.gz GBUWHYDXORQXMA-UHFFFAOYSA-N 1 2 325.376 0.363 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001019135582 770894607 /nfs/dbraw/zinc/89/46/07/770894607.db2.gz BEHVDWSIJJALKN-KBPBESRZSA-N 1 2 341.415 0.666 20 30 ECEDLO N#CCSCC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056249243 771039007 /nfs/dbraw/zinc/03/90/07/771039007.db2.gz VMEXNSWTSOQBGY-ZIAGYGMSSA-N 1 2 347.444 0.801 20 30 ECEDLO N#Cc1nccnc1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001056329997 771135780 /nfs/dbraw/zinc/13/57/80/771135780.db2.gz HEGWMWLYESITPH-BCUIYNNISA-N 1 2 349.398 0.358 20 30 ECEDLO N#Cc1nccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCc3[nH+]ccn3C2)n1 ZINC001056330066 771135845 /nfs/dbraw/zinc/13/58/45/771135845.db2.gz IJVMZSLHHQBMRV-APNQJHFZSA-N 1 2 349.398 0.358 20 30 ECEDLO N#Cc1cncc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCn3cc[nH+]c3C2)n1 ZINC001056333575 771139937 /nfs/dbraw/zinc/13/99/37/771139937.db2.gz NCYXUSWNQSDHIY-CVGURMSBSA-N 1 2 349.398 0.358 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]([NH2+][C@@H](C)c3nnc(CC)o3)C2)nn1 ZINC001019482305 771346017 /nfs/dbraw/zinc/34/60/17/771346017.db2.gz ONIJOBFDLVYVDS-RYUDHWBXSA-N 1 2 345.407 0.975 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H]1CN(c2cc[nH+]c(C)n2)CCCO1 ZINC001089547851 771449071 /nfs/dbraw/zinc/44/90/71/771449071.db2.gz YLQYQUXKRXVKFV-OAHLLOKOSA-N 1 2 332.404 0.536 20 30 ECEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001031614153 771449206 /nfs/dbraw/zinc/44/92/06/771449206.db2.gz XYUKJHNKSVTSBQ-CQSZACIVSA-N 1 2 326.400 0.632 20 30 ECEDLO N#Cc1nccnc1N1CCCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001089548226 771450441 /nfs/dbraw/zinc/45/04/41/771450441.db2.gz KDZBCPBRHWKSIB-LBPRGKRZSA-N 1 2 341.375 0.026 20 30 ECEDLO C=CCOCC(=O)N1C[C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001056654451 771474773 /nfs/dbraw/zinc/47/47/73/771474773.db2.gz RXDSMEGCTYKLIH-LSDHHAIUSA-N 1 2 346.431 0.994 20 30 ECEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001031624615 771512478 /nfs/dbraw/zinc/51/24/78/771512478.db2.gz ZSOSWCQKXCUTBQ-GFCCVEGCSA-N 1 2 343.431 0.995 20 30 ECEDLO C=CCOCC(=O)N1C[C@@H]2CCCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001056689673 771518352 /nfs/dbraw/zinc/51/83/52/771518352.db2.gz YKAITVKLQAXWMG-GOEBONIOSA-N 1 2 346.431 0.615 20 30 ECEDLO N#Cc1ccc(N[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)nn1 ZINC001056727000 771561722 /nfs/dbraw/zinc/56/17/22/771561722.db2.gz CMOXJNRIEZFGNU-GXTWGEPZSA-N 1 2 337.387 0.820 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](n2cc(C[NH2+]Cc3ccnn3C)nn2)C1 ZINC001089581118 771568529 /nfs/dbraw/zinc/56/85/29/771568529.db2.gz YXLCNLDYBHPXJO-SWLSCSKDSA-N 1 2 342.407 0.234 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H](N(C)c2ncnc3c2C[N@H+](C)CC3)C1 ZINC001056870968 771745966 /nfs/dbraw/zinc/74/59/66/771745966.db2.gz FCKUMFCDRYLDHO-STQMWFEESA-N 1 2 328.420 0.661 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H](N(C)c2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001056870968 771745969 /nfs/dbraw/zinc/74/59/69/771745969.db2.gz FCKUMFCDRYLDHO-STQMWFEESA-N 1 2 328.420 0.661 20 30 ECEDLO CCc1nc(C#N)cc(N(C)[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001056956704 771864425 /nfs/dbraw/zinc/86/44/25/771864425.db2.gz YPWGHCFJHFSWLE-CYBMUJFWSA-N 1 2 339.403 0.914 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001019908801 772009807 /nfs/dbraw/zinc/00/98/07/772009807.db2.gz VLSNIRYDKOEWLF-CABCVRRESA-N 1 2 346.431 0.924 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCCN(c2nccnc2C#N)CC1 ZINC001057162571 772197235 /nfs/dbraw/zinc/19/72/35/772197235.db2.gz LRXWBQOSVJYFHV-UHFFFAOYSA-N 1 2 325.376 0.661 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCN(c2ccnc(C#N)n2)CC1 ZINC001057245865 772336202 /nfs/dbraw/zinc/33/62/02/772336202.db2.gz YRMZJWKFIMWTQB-CYBMUJFWSA-N 1 2 339.403 0.989 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCN(c2ccnc(C#N)n2)CC1 ZINC001057245865 772336208 /nfs/dbraw/zinc/33/62/08/772336208.db2.gz YRMZJWKFIMWTQB-CYBMUJFWSA-N 1 2 339.403 0.989 20 30 ECEDLO CC(C)C#CC(=O)N(CCO)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001057524629 772716816 /nfs/dbraw/zinc/71/68/16/772716816.db2.gz KXUIFZWVHVBWQG-OAHLLOKOSA-N 1 2 346.431 0.042 20 30 ECEDLO CC(C)(C)C#CC(=O)N(CCO)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001057539484 772734910 /nfs/dbraw/zinc/73/49/10/772734910.db2.gz ZXUADJSBZJHFHO-UHFFFAOYSA-N 1 2 334.420 0.329 20 30 ECEDLO C[C@H](CC(=O)NCCN(CCO)C(=O)C#CC(C)(C)C)n1cc[nH+]c1 ZINC001057540801 772736532 /nfs/dbraw/zinc/73/65/32/772736532.db2.gz GAXFSDSMIBPULR-OAHLLOKOSA-N 1 2 348.447 0.821 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)CCc1c[nH]c[nH+]1 ZINC001057901113 773157905 /nfs/dbraw/zinc/15/79/05/773157905.db2.gz HCVCIHXNMCPYQL-AWEZNQCLSA-N 1 2 336.436 0.882 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)CCc1c[nH+]c[nH]1 ZINC001057901113 773157906 /nfs/dbraw/zinc/15/79/06/773157906.db2.gz HCVCIHXNMCPYQL-AWEZNQCLSA-N 1 2 336.436 0.882 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)CCc1c[nH]c[nH+]1 ZINC001057901379 773159567 /nfs/dbraw/zinc/15/95/67/773159567.db2.gz QZULDVBGBSCOKG-KBPBESRZSA-N 1 2 336.436 0.738 20 30 ECEDLO C=C[C@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)CCc1c[nH+]c[nH]1 ZINC001057901379 773159571 /nfs/dbraw/zinc/15/95/71/773159571.db2.gz QZULDVBGBSCOKG-KBPBESRZSA-N 1 2 336.436 0.738 20 30 ECEDLO CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001057941432 773231979 /nfs/dbraw/zinc/23/19/79/773231979.db2.gz SQZWPEMQCZHSTH-OAHLLOKOSA-N 1 2 346.431 0.042 20 30 ECEDLO C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001057946651 773248723 /nfs/dbraw/zinc/24/87/23/773248723.db2.gz HVPGPKRCJMNALK-HNNXBMFYSA-N 1 2 348.447 0.739 20 30 ECEDLO C#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001057946721 773249130 /nfs/dbraw/zinc/24/91/30/773249130.db2.gz IZOJZWWAYIFMBV-HNNXBMFYSA-N 1 2 346.431 0.186 20 30 ECEDLO C#CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001057947111 773251611 /nfs/dbraw/zinc/25/16/11/773251611.db2.gz QHJKGYNRWHSOAG-HNNXBMFYSA-N 1 2 346.431 0.186 20 30 ECEDLO C=C[C@@H](C)[C@H](C)C(=O)NCCN(CCO)C(=O)Cc1[nH]c[nH+]c1C ZINC001058263210 773872343 /nfs/dbraw/zinc/87/23/43/773872343.db2.gz AXYBKYWFLNMAJV-OLZOCXBDSA-N 1 2 336.436 0.656 20 30 ECEDLO C=C[C@H](CC)CC(=O)N(CCO)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001058466733 774240326 /nfs/dbraw/zinc/24/03/26/774240326.db2.gz UFKVYWWFBZHMDV-CQSZACIVSA-N 1 2 336.436 0.882 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCn4cc[nH+]c4C3)C2)nn1 ZINC001058481154 774271603 /nfs/dbraw/zinc/27/16/03/774271603.db2.gz KRUHCMKPLVDXOF-GXTWGEPZSA-N 1 2 337.387 0.502 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 ZINC001039831397 783172632 /nfs/dbraw/zinc/17/26/32/783172632.db2.gz UJJBSRLXKWMPKC-ACJLOTCBSA-N 1 2 344.415 0.081 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 ZINC001039831397 783172640 /nfs/dbraw/zinc/17/26/40/783172640.db2.gz UJJBSRLXKWMPKC-ACJLOTCBSA-N 1 2 344.415 0.081 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N[C@H]2CCN(c3ccnc(C#N)n3)C2)c[nH+]1 ZINC001058584761 774478623 /nfs/dbraw/zinc/47/86/23/774478623.db2.gz ZRXDEUYDCCYTGC-ZDUSSCGKSA-N 1 2 339.403 0.983 20 30 ECEDLO C=C[C@@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001044980382 774795040 /nfs/dbraw/zinc/79/50/40/774795040.db2.gz MIYRZLSVPPPCKP-ZIAGYGMSSA-N 1 2 348.447 0.500 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NCC1(O)CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001045059933 774913497 /nfs/dbraw/zinc/91/34/97/774913497.db2.gz YTDGYQCRWJWEIJ-GFCCVEGCSA-N 1 2 334.420 0.552 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCc1cnn(CC)n1 ZINC001045073790 774936587 /nfs/dbraw/zinc/93/65/87/774936587.db2.gz PVHCOKUHEXNQKS-IRXDYDNUSA-N 1 2 344.463 0.476 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCc1cnn(CC)n1 ZINC001045073790 774936590 /nfs/dbraw/zinc/93/65/90/774936590.db2.gz PVHCOKUHEXNQKS-IRXDYDNUSA-N 1 2 344.463 0.476 20 30 ECEDLO C=C1CCC(C(=O)N2CC(O)(CNC(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001044011058 775506695 /nfs/dbraw/zinc/50/66/95/775506695.db2.gz ILBZKTAZUYSZFP-UHFFFAOYSA-N 1 2 346.431 0.399 20 30 ECEDLO C=CCn1cc(C(=O)N(C)C2C[NH+](Cc3ccc(CO)cc3)C2)nn1 ZINC001044020758 775533097 /nfs/dbraw/zinc/53/30/97/775533097.db2.gz DZQQIOHEYGJZRL-UHFFFAOYSA-N 1 2 341.415 0.913 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2nccc3[nH]ccc32)[C@@H](n2ccnn2)C1 ZINC001070027752 790378178 /nfs/dbraw/zinc/37/81/78/790378178.db2.gz YMYOPJXSNMXQPV-CABCVRRESA-N 1 2 335.371 0.443 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2nccc3[nH]ccc32)[C@@H](n2ccnn2)C1 ZINC001070027752 790378188 /nfs/dbraw/zinc/37/81/88/790378188.db2.gz YMYOPJXSNMXQPV-CABCVRRESA-N 1 2 335.371 0.443 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCC(C)(NC(=O)c3[nH]ncc3F)CC2)C1=O ZINC001045547321 775774738 /nfs/dbraw/zinc/77/47/38/775774738.db2.gz IFXMOHSHGIKOQL-ZDUSSCGKSA-N 1 2 349.410 0.920 20 30 ECEDLO C[C@@H](C#N)C(=O)NCC1(O)CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001045564861 775808411 /nfs/dbraw/zinc/80/84/11/775808411.db2.gz OAVRBQVZJPJIJE-JTQLQIEISA-N 1 2 327.344 0.026 20 30 ECEDLO C=C(Cl)CN1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](n2ccnn2)C1 ZINC001070038448 790414822 /nfs/dbraw/zinc/41/48/22/790414822.db2.gz QHYAQAYDQYFINK-OLZOCXBDSA-N 1 2 335.799 0.338 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C)nc2OC)[C@@H](n2ccnn2)C1 ZINC001070048091 790446287 /nfs/dbraw/zinc/44/62/87/790446287.db2.gz YEHHJYHAPPIPRP-CABCVRRESA-N 1 2 340.387 0.279 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)nc2OC)[C@@H](n2ccnn2)C1 ZINC001070048091 790446296 /nfs/dbraw/zinc/44/62/96/790446296.db2.gz YEHHJYHAPPIPRP-CABCVRRESA-N 1 2 340.387 0.279 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3cccnn32)[C@@H](n2ccnn2)C1 ZINC001070048103 790446347 /nfs/dbraw/zinc/44/63/47/790446347.db2.gz YVBJZZVINOVFEN-ZBFHGGJFSA-N 1 2 335.371 0.214 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3cccnn32)[C@@H](n2ccnn2)C1 ZINC001070048103 790446352 /nfs/dbraw/zinc/44/63/52/790446352.db2.gz YVBJZZVINOVFEN-ZBFHGGJFSA-N 1 2 335.371 0.214 20 30 ECEDLO Cc1cc(C)c(C(=O)NCC2(O)CN(C(=O)[C@@H](C)C#N)C2)c(C)[nH+]1 ZINC001044585196 776482401 /nfs/dbraw/zinc/48/24/01/776482401.db2.gz NNKBHGKAONECOW-NSHDSACASA-N 1 2 330.388 0.470 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079703977 776729530 /nfs/dbraw/zinc/72/95/30/776729530.db2.gz DEZKXZQBPOVYET-IAQYHMDHSA-N 1 2 343.366 0.321 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079703977 776729540 /nfs/dbraw/zinc/72/95/40/776729540.db2.gz DEZKXZQBPOVYET-IAQYHMDHSA-N 1 2 343.366 0.321 20 30 ECEDLO CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001079742831 776787105 /nfs/dbraw/zinc/78/71/05/776787105.db2.gz NGBSYJNQNKZRNA-HUUCEWRRSA-N 1 2 326.400 0.986 20 30 ECEDLO CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001079742831 776787111 /nfs/dbraw/zinc/78/71/11/776787111.db2.gz NGBSYJNQNKZRNA-HUUCEWRRSA-N 1 2 326.400 0.986 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(CC)C1CN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001079776921 776852510 /nfs/dbraw/zinc/85/25/10/776852510.db2.gz OVWACGSHXBCEET-CQSZACIVSA-N 1 2 346.431 0.450 20 30 ECEDLO C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001080013134 777229753 /nfs/dbraw/zinc/22/97/53/777229753.db2.gz VRZGYZPBWPCLDG-HUUCEWRRSA-N 1 2 344.415 0.612 20 30 ECEDLO C#CCOCCC(=O)N1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001080013134 777229761 /nfs/dbraw/zinc/22/97/61/777229761.db2.gz VRZGYZPBWPCLDG-HUUCEWRRSA-N 1 2 344.415 0.612 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)c2cccnc2)[C@@H](n2ccnn2)C1 ZINC001070076078 790521051 /nfs/dbraw/zinc/52/10/51/790521051.db2.gz IKWNEMLHBMNDTG-UAGQMJEPSA-N 1 2 338.415 0.842 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)c2cccnc2)[C@@H](n2ccnn2)C1 ZINC001070076078 790521057 /nfs/dbraw/zinc/52/10/57/790521057.db2.gz IKWNEMLHBMNDTG-UAGQMJEPSA-N 1 2 338.415 0.842 20 30 ECEDLO CCN(C(=O)C(C)(C)[NH+]1CCOCC1)C1CN(C(=O)C#CC2CC2)C1 ZINC001080097579 777385440 /nfs/dbraw/zinc/38/54/40/777385440.db2.gz IMZOPFFPWBKOJN-UHFFFAOYSA-N 1 2 347.459 0.570 20 30 ECEDLO C=CCCOCC(=O)N1CC(N(CC)C(=O)Cc2c[nH+]cn2C)C1 ZINC001080143136 777459175 /nfs/dbraw/zinc/45/91/75/777459175.db2.gz WPALNUKPJMFVGI-UHFFFAOYSA-N 1 2 334.420 0.615 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(OC)c2)[C@@H](n2ccnn2)C1 ZINC001070082480 790540411 /nfs/dbraw/zinc/54/04/11/790540411.db2.gz NXOSMGVOUNSEOV-CVEARBPZSA-N 1 2 325.372 0.575 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(OC)c2)[C@@H](n2ccnn2)C1 ZINC001070082480 790540420 /nfs/dbraw/zinc/54/04/20/790540420.db2.gz NXOSMGVOUNSEOV-CVEARBPZSA-N 1 2 325.372 0.575 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2c(C)nn(C)c2F)[C@@H](n2ccnn2)C1 ZINC001070085762 790554524 /nfs/dbraw/zinc/55/45/24/790554524.db2.gz RFQMZIUZIPOOEK-NEPJUHHUSA-N 1 2 333.371 0.300 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2c(C)nn(C)c2F)[C@@H](n2ccnn2)C1 ZINC001070085762 790554529 /nfs/dbraw/zinc/55/45/29/790554529.db2.gz RFQMZIUZIPOOEK-NEPJUHHUSA-N 1 2 333.371 0.300 20 30 ECEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080279397 777640523 /nfs/dbraw/zinc/64/05/23/777640523.db2.gz UYUSTZUXVWCJAP-IUODEOHRSA-N 1 2 342.378 0.451 20 30 ECEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080279397 777640527 /nfs/dbraw/zinc/64/05/27/777640527.db2.gz UYUSTZUXVWCJAP-IUODEOHRSA-N 1 2 342.378 0.451 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1Nc1cnc(C#N)cn1 ZINC001043163954 777856874 /nfs/dbraw/zinc/85/68/74/777856874.db2.gz IFBNJKVOXAUTJU-DGCLKSJQSA-N 1 2 325.376 0.963 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC001080439117 777858080 /nfs/dbraw/zinc/85/80/80/777858080.db2.gz DARZDZOMUZZCIA-ZRJCITRHSA-N 1 2 343.855 0.811 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC001080439117 777858091 /nfs/dbraw/zinc/85/80/91/777858091.db2.gz DARZDZOMUZZCIA-ZRJCITRHSA-N 1 2 343.855 0.811 20 30 ECEDLO C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001043226028 778003584 /nfs/dbraw/zinc/00/35/84/778003584.db2.gz MBEXVRDUCILTKT-ZDUSSCGKSA-N 1 2 332.404 0.081 20 30 ECEDLO C#CCCCC(=O)N1CC(O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001043226028 778003598 /nfs/dbraw/zinc/00/35/98/778003598.db2.gz MBEXVRDUCILTKT-ZDUSSCGKSA-N 1 2 332.404 0.081 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001043226742 778006943 /nfs/dbraw/zinc/00/69/43/778006943.db2.gz YWCSPKJEGVODSR-CYBMUJFWSA-N 1 2 348.447 0.880 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001043226742 778006955 /nfs/dbraw/zinc/00/69/55/778006955.db2.gz YWCSPKJEGVODSR-CYBMUJFWSA-N 1 2 348.447 0.880 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H](Nc2cnc(C#N)cn2)C1 ZINC001043274890 778082435 /nfs/dbraw/zinc/08/24/35/778082435.db2.gz RJKHHYKEDXNJPA-QMTHXVAHSA-N 1 2 325.376 0.881 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001070098642 790599009 /nfs/dbraw/zinc/59/90/09/790599009.db2.gz KEOHVWCVQBXYAU-OAGGEKHMSA-N 1 2 331.420 0.460 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCCOC2)[C@@H](n2ccnn2)C1 ZINC001070098642 790599016 /nfs/dbraw/zinc/59/90/16/790599016.db2.gz KEOHVWCVQBXYAU-OAGGEKHMSA-N 1 2 331.420 0.460 20 30 ECEDLO C=C(C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001043611884 778590494 /nfs/dbraw/zinc/59/04/94/778590494.db2.gz ZMZUBUKQISOQAD-AWEZNQCLSA-N 1 2 346.431 0.491 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C[C@H](C)C(C)C)C1 ZINC001043648758 778664500 /nfs/dbraw/zinc/66/45/00/778664500.db2.gz IIDWLUJTWQSTJO-HOTGVXAUSA-N 1 2 349.475 0.456 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C[C@H](C)C(C)C)C1 ZINC001043648758 778664503 /nfs/dbraw/zinc/66/45/03/778664503.db2.gz IIDWLUJTWQSTJO-HOTGVXAUSA-N 1 2 349.475 0.456 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CC(C)(C)C)C1 ZINC001043649014 778665169 /nfs/dbraw/zinc/66/51/69/778665169.db2.gz JBNKHRLUMQDFER-AWEZNQCLSA-N 1 2 335.448 0.210 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CC(C)(C)C)C1 ZINC001043649014 778665171 /nfs/dbraw/zinc/66/51/71/778665171.db2.gz JBNKHRLUMQDFER-AWEZNQCLSA-N 1 2 335.448 0.210 20 30 ECEDLO CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001043672765 778697986 /nfs/dbraw/zinc/69/79/86/778697986.db2.gz ZFJNFWCRSVWFLW-CHWSQXEVSA-N 1 2 344.415 0.252 20 30 ECEDLO CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001043672765 778697988 /nfs/dbraw/zinc/69/79/88/778697988.db2.gz ZFJNFWCRSVWFLW-CHWSQXEVSA-N 1 2 344.415 0.252 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CC(O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001043701169 778743841 /nfs/dbraw/zinc/74/38/41/778743841.db2.gz ZDHRNOMVONTJDT-OAHLLOKOSA-N 1 2 348.447 0.955 20 30 ECEDLO C=C1CCC(C(=O)N(C)C2C[NH+](CCCN3C(=O)CNC3=O)C2)CC1 ZINC001043759580 778823610 /nfs/dbraw/zinc/82/36/10/778823610.db2.gz JOGXVWFTDVEDBD-UHFFFAOYSA-N 1 2 348.447 0.817 20 30 ECEDLO Cc1cc(C#N)nc(NC[C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001068595777 790668556 /nfs/dbraw/zinc/66/85/56/790668556.db2.gz SCSQXTKYEKUPCF-HAQNSBGRSA-N 1 2 325.376 0.929 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCC2(CN(C(=O)[C@H](C)C#N)C2)O1 ZINC001068598342 790676134 /nfs/dbraw/zinc/67/61/34/790676134.db2.gz NDRCPXJIJZUSGZ-YPMHNXCESA-N 1 2 345.403 0.297 20 30 ECEDLO C#CCCCCC(=O)NCC1(O)CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001042658663 780598835 /nfs/dbraw/zinc/59/88/35/780598835.db2.gz NJRDLVBXSILDMG-UHFFFAOYSA-N 1 2 332.404 0.144 20 30 ECEDLO CN(C(=O)[C@H]1COC(=O)N1)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001042675471 780626462 /nfs/dbraw/zinc/62/64/62/780626462.db2.gz RNIFGUKVOLQKAG-OAHLLOKOSA-N 1 2 344.371 0.340 20 30 ECEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2COCCO2)C1 ZINC001079126856 780784753 /nfs/dbraw/zinc/78/47/53/780784753.db2.gz CDKMHRSHDLKPNO-KZNAEPCWSA-N 1 2 344.411 0.109 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2COCCO2)C1 ZINC001079126856 780784758 /nfs/dbraw/zinc/78/47/58/780784758.db2.gz CDKMHRSHDLKPNO-KZNAEPCWSA-N 1 2 344.411 0.109 20 30 ECEDLO CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001042872760 780973045 /nfs/dbraw/zinc/97/30/45/780973045.db2.gz OYLFLVXNIAZLKX-TZMCWYRMSA-N 1 2 326.360 0.239 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)c3snnc3C)C2)C1=O ZINC001079411609 781093512 /nfs/dbraw/zinc/09/35/12/781093512.db2.gz BWHVDPBUESCNRW-RAIGVLPGSA-N 1 2 349.460 0.684 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)c3snnc3C)C2)C1=O ZINC001079411609 781093518 /nfs/dbraw/zinc/09/35/18/781093518.db2.gz BWHVDPBUESCNRW-RAIGVLPGSA-N 1 2 349.460 0.684 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cc(F)ncn2)C[C@H]1OC ZINC001043018645 781189591 /nfs/dbraw/zinc/18/95/91/781189591.db2.gz QWAKIFMEBIYRSL-HZSPNIEDSA-N 1 2 347.394 0.033 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2cc(F)ncn2)C[C@H]1OC ZINC001043018645 781189599 /nfs/dbraw/zinc/18/95/99/781189599.db2.gz QWAKIFMEBIYRSL-HZSPNIEDSA-N 1 2 347.394 0.033 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C(N)=O)c3)C[C@H]2O)C1 ZINC001077641996 781410448 /nfs/dbraw/zinc/41/04/48/781410448.db2.gz RMPNDEFTGHSLLD-HZPDHXFCSA-N 1 2 343.427 0.803 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C(N)=O)c3)C[C@H]2O)C1 ZINC001077641996 781410452 /nfs/dbraw/zinc/41/04/52/781410452.db2.gz RMPNDEFTGHSLLD-HZPDHXFCSA-N 1 2 343.427 0.803 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCN(C(C)(C)C)C3=O)C[C@H]2O)C1 ZINC001077643647 781415630 /nfs/dbraw/zinc/41/56/30/781415630.db2.gz GGVDVAYRIVNSKA-RBSFLKMASA-N 1 2 349.475 0.903 20 30 ECEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(C(C)(C)C)C3=O)C[C@H]2O)C1 ZINC001077643647 781415633 /nfs/dbraw/zinc/41/56/33/781415633.db2.gz GGVDVAYRIVNSKA-RBSFLKMASA-N 1 2 349.475 0.903 20 30 ECEDLO N#Cc1ccc(NC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CCCO2)cn1 ZINC001041504450 781649420 /nfs/dbraw/zinc/64/94/20/781649420.db2.gz DGMFFYZJDSHOSA-MRXNPFEDSA-N 1 2 340.387 0.879 20 30 ECEDLO N#Cc1cccnc1NC[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 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O=C(NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[C@H]1CCNC(=O)C1 ZINC001038160593 783931544 /nfs/dbraw/zinc/93/15/44/783931544.db2.gz GQWJPKCKERXEHU-DLBZAZTESA-N 1 2 325.412 0.755 20 30 ECEDLO O=C(NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)[C@H]1CCNC(=O)C1 ZINC001038160593 783931556 /nfs/dbraw/zinc/93/15/56/783931556.db2.gz GQWJPKCKERXEHU-DLBZAZTESA-N 1 2 325.412 0.755 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2CCNC(=O)C2)s1 ZINC001038161250 783932693 /nfs/dbraw/zinc/93/26/93/783932693.db2.gz MKZHZRVAAYENFB-NWDGAFQWSA-N 1 2 332.429 0.836 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2CCNC(=O)C2)s1 ZINC001038161250 783932701 /nfs/dbraw/zinc/93/27/01/783932701.db2.gz MKZHZRVAAYENFB-NWDGAFQWSA-N 1 2 332.429 0.836 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)SC)C[C@@H]2c1nnc(C)[nH]1 ZINC001070440234 784076288 /nfs/dbraw/zinc/07/62/88/784076288.db2.gz BSKNRTFCPVLVKX-DGCLKSJQSA-N 1 2 333.461 0.726 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CN(C(=O)c1ccn[nH]1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070440037 784077124 /nfs/dbraw/zinc/07/71/24/784077124.db2.gz ADGWNYWHWJEEHY-CYBMUJFWSA-N 1 2 341.419 0.954 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CN(C(=O)c1cc[nH]n1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070440037 784077128 /nfs/dbraw/zinc/07/71/28/784077128.db2.gz ADGWNYWHWJEEHY-CYBMUJFWSA-N 1 2 341.419 0.954 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cccnc2)C1 ZINC001070901882 784080969 /nfs/dbraw/zinc/08/09/69/784080969.db2.gz NMCNIKZGJRJXEX-OAGGEKHMSA-N 1 2 342.399 0.987 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cccnc2)C1 ZINC001070901882 784080973 /nfs/dbraw/zinc/08/09/73/784080973.db2.gz NMCNIKZGJRJXEX-OAGGEKHMSA-N 1 2 342.399 0.987 20 30 ECEDLO CC#CC[NH+]1CC2(C1)CN(C(=O)CSC)C[C@@H]2c1nnc(C)[nH]1 ZINC001070441349 784081945 /nfs/dbraw/zinc/08/19/45/784081945.db2.gz STVHCBSFWHGOIB-CYBMUJFWSA-N 1 2 333.461 0.727 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)/C=C\C1CC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070443815 784090920 /nfs/dbraw/zinc/09/09/20/784090920.db2.gz AOZHUFNKLDFAGG-XHPSBEMXSA-N 1 2 325.416 0.940 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC1(F)F)C[C@H]2c1nnc(C)[nH]1 ZINC001070443870 784091986 /nfs/dbraw/zinc/09/19/86/784091986.db2.gz BLGHSFNEMSSTKD-NEPJUHHUSA-N 1 2 335.358 0.629 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)C1=CCOCC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070444332 784092754 /nfs/dbraw/zinc/09/27/54/784092754.db2.gz NSFQPWDUHQONHJ-HNNXBMFYSA-N 1 2 341.415 0.321 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)Cc1ccoc1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070444547 784094085 /nfs/dbraw/zinc/09/40/85/784094085.db2.gz SYQUVQGOSKJGHR-OAHLLOKOSA-N 1 2 339.399 0.810 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001070912198 784102963 /nfs/dbraw/zinc/10/29/63/784102963.db2.gz XBHUTSZCNLCXIC-XQQFMLRXSA-N 1 2 331.376 0.315 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001070912198 784102965 /nfs/dbraw/zinc/10/29/65/784102965.db2.gz XBHUTSZCNLCXIC-XQQFMLRXSA-N 1 2 331.376 0.315 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001070913206 784104080 /nfs/dbraw/zinc/10/40/80/784104080.db2.gz FJMQXSDIUCANTC-ZACQAIPSSA-N 1 2 341.411 0.529 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001070913206 784104087 /nfs/dbraw/zinc/10/40/87/784104087.db2.gz FJMQXSDIUCANTC-ZACQAIPSSA-N 1 2 341.411 0.529 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2nocc2C)C1 ZINC001070922484 784121075 /nfs/dbraw/zinc/12/10/75/784121075.db2.gz LJSDDPZUJLJVNI-MCIONIFRSA-N 1 2 346.387 0.889 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2nocc2C)C1 ZINC001070922484 784121081 /nfs/dbraw/zinc/12/10/81/784121081.db2.gz LJSDDPZUJLJVNI-MCIONIFRSA-N 1 2 346.387 0.889 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccn(C)n2)C1 ZINC001070924803 784125234 /nfs/dbraw/zinc/12/52/34/784125234.db2.gz SUXCNBUJEZNDRW-YUELXQCFSA-N 1 2 345.403 0.326 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2ccn(C)n2)C1 ZINC001070924803 784125238 /nfs/dbraw/zinc/12/52/38/784125238.db2.gz SUXCNBUJEZNDRW-YUELXQCFSA-N 1 2 345.403 0.326 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2nc(CC)c[nH]2)CC1 ZINC001070971908 784276753 /nfs/dbraw/zinc/27/67/53/784276753.db2.gz YYNNQXWQZUKWMR-UHFFFAOYSA-N 1 2 333.436 0.351 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2nc(CC)c[nH]2)CC1 ZINC001070971908 784276756 /nfs/dbraw/zinc/27/67/56/784276756.db2.gz YYNNQXWQZUKWMR-UHFFFAOYSA-N 1 2 333.436 0.351 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2c[nH]nc2CC)CC1 ZINC001070976503 784291222 /nfs/dbraw/zinc/29/12/22/784291222.db2.gz GDAQKALECHBGAS-UHFFFAOYSA-N 1 2 331.420 0.260 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2c[nH]nc2CC)CC1 ZINC001070976503 784291230 /nfs/dbraw/zinc/29/12/30/784291230.db2.gz GDAQKALECHBGAS-UHFFFAOYSA-N 1 2 331.420 0.260 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCc3cccnc32)CC1 ZINC001070992710 784346312 /nfs/dbraw/zinc/34/63/12/784346312.db2.gz UOZMUKDWECARLD-MRXNPFEDSA-N 1 2 342.443 0.948 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCc3cccnc32)CC1 ZINC001070992710 784346322 /nfs/dbraw/zinc/34/63/22/784346322.db2.gz UOZMUKDWECARLD-MRXNPFEDSA-N 1 2 342.443 0.948 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC(=O)NCC[N@@H+](CC)CC2)nn1 ZINC001071007210 784391792 /nfs/dbraw/zinc/39/17/92/784391792.db2.gz IMPUYHDSNVFSHC-UHFFFAOYSA-N 1 2 334.424 0.138 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC(=O)NCC[N@H+](CC)CC2)nn1 ZINC001071007210 784391798 /nfs/dbraw/zinc/39/17/98/784391798.db2.gz IMPUYHDSNVFSHC-UHFFFAOYSA-N 1 2 334.424 0.138 20 30 ECEDLO C=CCOCCCC(=O)N1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001070592510 784392891 /nfs/dbraw/zinc/39/28/91/784392891.db2.gz VEHDBRFTNYUGLI-OAHLLOKOSA-N 1 2 334.420 0.973 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001071014870 784418010 /nfs/dbraw/zinc/41/80/10/784418010.db2.gz IIPZRSKQQQTDOF-DYVFJYSZSA-N 1 2 334.420 0.397 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2[nH]cnc2CC)CC1 ZINC001071018385 784432878 /nfs/dbraw/zinc/43/28/78/784432878.db2.gz PFERUQATIYYWPW-UHFFFAOYSA-N 1 2 333.436 0.812 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2[nH]cnc2CC)CC1 ZINC001071018385 784432884 /nfs/dbraw/zinc/43/28/84/784432884.db2.gz PFERUQATIYYWPW-UHFFFAOYSA-N 1 2 333.436 0.812 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)CCc3c[nH]c[nH+]3)C2)[nH]1 ZINC001070624351 784453173 /nfs/dbraw/zinc/45/31/73/784453173.db2.gz KAXCWIDKGGRRMJ-CQSZACIVSA-N 1 2 340.387 0.963 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)CCc3c[nH+]c[nH]3)C2)[nH]1 ZINC001070624351 784453178 /nfs/dbraw/zinc/45/31/78/784453178.db2.gz KAXCWIDKGGRRMJ-CQSZACIVSA-N 1 2 340.387 0.963 20 30 ECEDLO C=CCCOCC(=O)N[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001071033341 784463331 /nfs/dbraw/zinc/46/33/31/784463331.db2.gz AXAWOHYBMMXYRY-OAHLLOKOSA-N 1 2 334.420 0.973 20 30 ECEDLO Cc1ccc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)nn1 ZINC001070646607 784491560 /nfs/dbraw/zinc/49/15/60/784491560.db2.gz KISNADBLJDDWNS-TZMCWYRMSA-N 1 2 325.376 0.240 20 30 ECEDLO C#CC[NH2+][C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1c1cncn1C ZINC001070649235 784496243 /nfs/dbraw/zinc/49/62/43/784496243.db2.gz VTLOTTYOOWRLCV-FOGDFJRCSA-N 1 2 332.301 0.838 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001070667363 784524176 /nfs/dbraw/zinc/52/41/76/784524176.db2.gz DEENRRGIVIJEBF-CXAGYDPISA-N 1 2 334.420 0.777 20 30 ECEDLO CC(C)n1ccc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)n1 ZINC001070696487 784564711 /nfs/dbraw/zinc/56/47/11/784564711.db2.gz VUDAKQNHYQGXMU-UKRRQHHQSA-N 1 2 341.419 0.919 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001070725322 784600122 /nfs/dbraw/zinc/60/01/22/784600122.db2.gz DNHZLLIUUCBDJR-RBSFLKMASA-N 1 2 344.415 0.660 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001070725322 784600128 /nfs/dbraw/zinc/60/01/28/784600128.db2.gz DNHZLLIUUCBDJR-RBSFLKMASA-N 1 2 344.415 0.660 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001070730766 784617919 /nfs/dbraw/zinc/61/79/19/784617919.db2.gz RTNHZWPVPIFHID-OAHLLOKOSA-N 1 2 332.404 0.489 20 30 ECEDLO C#CCOCCC(=O)N1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001070730766 784617927 /nfs/dbraw/zinc/61/79/27/784617927.db2.gz RTNHZWPVPIFHID-OAHLLOKOSA-N 1 2 332.404 0.489 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@]2(CCN(CC#N)C2)O1 ZINC001071194214 784709900 /nfs/dbraw/zinc/70/99/00/784709900.db2.gz DYJNVSDKZYKBMW-RHSMWYFYSA-N 1 2 331.420 0.568 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn(C)n1)C[C@@H](C)O2 ZINC001071221623 784772776 /nfs/dbraw/zinc/77/27/76/784772776.db2.gz SQMGVHJLQWFJON-IUODEOHRSA-N 1 2 339.827 0.873 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cnn(C)n1)C[C@@H](C)O2 ZINC001071221623 784772782 /nfs/dbraw/zinc/77/27/82/784772782.db2.gz SQMGVHJLQWFJON-IUODEOHRSA-N 1 2 339.827 0.873 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CCCOC3)C2)C(=O)C1 ZINC001071255114 784849467 /nfs/dbraw/zinc/84/94/67/784849467.db2.gz GCXBDTJGNRBKDM-IAGOWNOFSA-N 1 2 347.459 0.572 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CCCOC3)C2)C(=O)C1 ZINC001071255114 784849473 /nfs/dbraw/zinc/84/94/73/784849473.db2.gz GCXBDTJGNRBKDM-IAGOWNOFSA-N 1 2 347.459 0.572 20 30 ECEDLO C=CCCC(=O)N[C@@H]1COC2(CN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001068752871 791074563 /nfs/dbraw/zinc/07/45/63/791074563.db2.gz IRFSBPFGOQWDFT-AWEZNQCLSA-N 1 2 346.431 0.805 20 30 ECEDLO C=CCOCC(=O)N1C[C@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001071804722 785130142 /nfs/dbraw/zinc/13/01/42/785130142.db2.gz GLWBVHKJPNRTRA-LSDHHAIUSA-N 1 2 334.420 0.829 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3cnnn3C)C2)c1 ZINC001071816195 785151296 /nfs/dbraw/zinc/15/12/96/785151296.db2.gz UVOCLJZUXMNFLJ-BBRMVZONSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3cnnn3C)C2)c1 ZINC001071816195 785151302 /nfs/dbraw/zinc/15/13/02/785151302.db2.gz UVOCLJZUXMNFLJ-BBRMVZONSA-N 1 2 338.415 0.974 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(=O)N3CCC3)C2)nn1 ZINC001071879273 785262058 /nfs/dbraw/zinc/26/20/58/785262058.db2.gz AZLFWHLLYWZLFD-UONOGXRCSA-N 1 2 346.435 0.279 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(=O)N3CCC3)C2)nn1 ZINC001071879273 785262062 /nfs/dbraw/zinc/26/20/62/785262062.db2.gz AZLFWHLLYWZLFD-UONOGXRCSA-N 1 2 346.435 0.279 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)CN2CCOCC2=O)CC[C@H]1C ZINC001071572315 785324639 /nfs/dbraw/zinc/32/46/39/785324639.db2.gz UJXPUVYTLLJZKU-CHWSQXEVSA-N 1 2 329.828 0.567 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CN2CCOCC2=O)CC[C@H]1C ZINC001071572315 785324648 /nfs/dbraw/zinc/32/46/48/785324648.db2.gz UJXPUVYTLLJZKU-CHWSQXEVSA-N 1 2 329.828 0.567 20 30 ECEDLO C=CCCOCC(=O)N[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001072318182 786032337 /nfs/dbraw/zinc/03/23/37/786032337.db2.gz ZKSCMXKBSAVGMY-HIFRSBDPSA-N 1 2 334.420 0.898 20 30 ECEDLO C=CCCOCC(=O)N[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001072318182 786032340 /nfs/dbraw/zinc/03/23/40/786032340.db2.gz ZKSCMXKBSAVGMY-HIFRSBDPSA-N 1 2 334.420 0.898 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1NC(=O)C#CC1CC1 ZINC001072510906 786302827 /nfs/dbraw/zinc/30/28/27/786302827.db2.gz SVJOTJLHAUINJU-DZGCQCFKSA-N 1 2 328.416 0.729 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001072512789 786307106 /nfs/dbraw/zinc/30/71/06/786307106.db2.gz JKFTZKPCNAQBII-ZBFHGGJFSA-N 1 2 346.431 0.356 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cc4n(n3)CCC4)C[C@H]21 ZINC001074258754 786532953 /nfs/dbraw/zinc/53/29/53/786532953.db2.gz ARAUYLRLZRXOEC-SJORKVTESA-N 1 2 328.416 0.768 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc4n(n3)CCC4)C[C@H]21 ZINC001074258754 786532957 /nfs/dbraw/zinc/53/29/57/786532957.db2.gz ARAUYLRLZRXOEC-SJORKVTESA-N 1 2 328.416 0.768 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnn4ccncc34)C[C@H]21 ZINC001074268469 786552066 /nfs/dbraw/zinc/55/20/66/786552066.db2.gz KNINYFYNABZPFL-SJORKVTESA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnn4ccncc34)C[C@H]21 ZINC001074268469 786552070 /nfs/dbraw/zinc/55/20/70/786552070.db2.gz KNINYFYNABZPFL-SJORKVTESA-N 1 2 339.399 0.668 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3cc(C)nn3C)C[C@@H]21 ZINC001074296129 786619727 /nfs/dbraw/zinc/61/97/27/786619727.db2.gz BKHJCIVTXPGMIV-IRXDYDNUSA-N 1 2 330.432 0.596 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3cc(C)nn3C)C[C@@H]21 ZINC001074296129 786619736 /nfs/dbraw/zinc/61/97/36/786619736.db2.gz BKHJCIVTXPGMIV-IRXDYDNUSA-N 1 2 330.432 0.596 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cc3ccc(=O)[nH]c3)C[C@H]21 ZINC001074298848 786627326 /nfs/dbraw/zinc/62/73/26/786627326.db2.gz CCQFYBJMLXUOJM-CVEARBPZSA-N 1 2 329.400 0.655 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3ccc(=O)[nH]c3)C[C@H]21 ZINC001074298848 786627330 /nfs/dbraw/zinc/62/73/30/786627330.db2.gz CCQFYBJMLXUOJM-CVEARBPZSA-N 1 2 329.400 0.655 20 30 ECEDLO C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3coc(C(N)=O)c3)C[C@@H]21 ZINC001074302680 786634755 /nfs/dbraw/zinc/63/47/55/786634755.db2.gz VCROBTILCSNYAG-UONOGXRCSA-N 1 2 333.388 0.870 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3coc(C(N)=O)c3)C[C@@H]21 ZINC001074302680 786634759 /nfs/dbraw/zinc/63/47/59/786634759.db2.gz VCROBTILCSNYAG-UONOGXRCSA-N 1 2 333.388 0.870 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)nn(C)c3C)C[C@@H]21 ZINC001074307609 786642522 /nfs/dbraw/zinc/64/25/22/786642522.db2.gz LSCROLCRAWHQHX-JKSUJKDBSA-N 1 2 330.432 0.976 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3c(C)nn(C)c3C)C[C@@H]21 ZINC001074307609 786642525 /nfs/dbraw/zinc/64/25/25/786642525.db2.gz LSCROLCRAWHQHX-JKSUJKDBSA-N 1 2 330.432 0.976 20 30 ECEDLO Cn1ccc(C[N@@H+]2CCCO[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001073573793 786652109 /nfs/dbraw/zinc/65/21/09/786652109.db2.gz CIGKRBIEHTWGSP-OAHLLOKOSA-N 1 2 342.403 0.641 20 30 ECEDLO Cn1ccc(C[N@H+]2CCCO[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001073573793 786652113 /nfs/dbraw/zinc/65/21/13/786652113.db2.gz CIGKRBIEHTWGSP-OAHLLOKOSA-N 1 2 342.403 0.641 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3nnnc3C(C)C)C[C@@H]21 ZINC001074354394 786739939 /nfs/dbraw/zinc/73/99/39/786739939.db2.gz POVKXOKXJVGTKS-LSDHHAIUSA-N 1 2 346.435 0.122 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3nnnc3C(C)C)C[C@@H]21 ZINC001074354394 786739945 /nfs/dbraw/zinc/73/99/45/786739945.db2.gz POVKXOKXJVGTKS-LSDHHAIUSA-N 1 2 346.435 0.122 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@H]21 ZINC001074368138 786772510 /nfs/dbraw/zinc/77/25/10/786772510.db2.gz AOUNITXBTWMPSH-CABCVRRESA-N 1 2 332.404 0.605 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C[C@H]21 ZINC001074368138 786772515 /nfs/dbraw/zinc/77/25/15/786772515.db2.gz AOUNITXBTWMPSH-CABCVRRESA-N 1 2 332.404 0.605 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3CCN(C(C)=O)CC3)C[C@H]21 ZINC001074402680 786865715 /nfs/dbraw/zinc/86/57/15/786865715.db2.gz KHFACRMUJYOHAU-QZTJIDSGSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CCN(C(C)=O)CC3)C[C@H]21 ZINC001074402680 786865723 /nfs/dbraw/zinc/86/57/23/786865723.db2.gz KHFACRMUJYOHAU-QZTJIDSGSA-N 1 2 347.459 0.570 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@@H]21 ZINC001074404702 786874351 /nfs/dbraw/zinc/87/43/51/786874351.db2.gz GXBPCLCMAGWQQW-GJZGRUSLSA-N 1 2 332.404 0.605 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)c3c[nH]c(C(N)=O)c3)C[C@@H]21 ZINC001074404702 786874356 /nfs/dbraw/zinc/87/43/56/786874356.db2.gz GXBPCLCMAGWQQW-GJZGRUSLSA-N 1 2 332.404 0.605 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2COCCN2CC)C1 ZINC001073670328 786923127 /nfs/dbraw/zinc/92/31/27/786923127.db2.gz GQTPCHGHRYINAE-GJZGRUSLSA-N 1 2 345.871 0.667 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2COCCN2CC)C1 ZINC001073670328 786923132 /nfs/dbraw/zinc/92/31/32/786923132.db2.gz GQTPCHGHRYINAE-GJZGRUSLSA-N 1 2 345.871 0.667 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)nc3)C[C@@H]21 ZINC001074419042 786924968 /nfs/dbraw/zinc/92/49/68/786924968.db2.gz DSACMXNDZMQCNQ-HOTGVXAUSA-N 1 2 342.399 0.119 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C(N)=O)nc3)C[C@@H]21 ZINC001074419042 786924974 /nfs/dbraw/zinc/92/49/74/786924974.db2.gz DSACMXNDZMQCNQ-HOTGVXAUSA-N 1 2 342.399 0.119 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001073714529 787035465 /nfs/dbraw/zinc/03/54/65/787035465.db2.gz SWNCPIWVXZPJNS-ZIAGYGMSSA-N 1 2 343.855 0.862 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001073714529 787035472 /nfs/dbraw/zinc/03/54/72/787035472.db2.gz SWNCPIWVXZPJNS-ZIAGYGMSSA-N 1 2 343.855 0.862 20 30 ECEDLO C=CCCC(=O)N1CCC(O)(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001074510872 787129596 /nfs/dbraw/zinc/12/95/96/787129596.db2.gz TUNXVLNVPMEQEL-UHFFFAOYSA-N 1 2 334.420 0.697 20 30 ECEDLO C=CC[N@@H+]1CCCO[C@@H](CNC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001073796699 787219441 /nfs/dbraw/zinc/21/94/41/787219441.db2.gz QNVFOVZYWQYSPQ-AWEZNQCLSA-N 1 2 330.450 0.204 20 30 ECEDLO C=CC[N@H+]1CCCO[C@@H](CNC(=O)C2CCS(=O)(=O)CC2)C1 ZINC001073796699 787219455 /nfs/dbraw/zinc/21/94/55/787219455.db2.gz QNVFOVZYWQYSPQ-AWEZNQCLSA-N 1 2 330.450 0.204 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2CCCO[C@H](CNC(=O)c3ncn[nH]3)C2)c1 ZINC001073824356 787276149 /nfs/dbraw/zinc/27/61/49/787276149.db2.gz RCYCVOYAYJRPSG-OAHLLOKOSA-N 1 2 340.387 0.697 20 30 ECEDLO N#Cc1cccc(C[N@H+]2CCCO[C@H](CNC(=O)c3ncn[nH]3)C2)c1 ZINC001073824356 787276153 /nfs/dbraw/zinc/27/61/53/787276153.db2.gz RCYCVOYAYJRPSG-OAHLLOKOSA-N 1 2 340.387 0.697 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2CCCO[C@H](CNC(=O)c3nc[nH]n3)C2)c1 ZINC001073824356 787276158 /nfs/dbraw/zinc/27/61/58/787276158.db2.gz RCYCVOYAYJRPSG-OAHLLOKOSA-N 1 2 340.387 0.697 20 30 ECEDLO N#Cc1cccc(C[N@H+]2CCCO[C@H](CNC(=O)c3nc[nH]n3)C2)c1 ZINC001073824356 787276161 /nfs/dbraw/zinc/27/61/61/787276161.db2.gz RCYCVOYAYJRPSG-OAHLLOKOSA-N 1 2 340.387 0.697 20 30 ECEDLO CC(C)(C)C#CC(=O)N1CCC(O)(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001074582486 787324106 /nfs/dbraw/zinc/32/41/06/787324106.db2.gz UUOYHLHUPZLTME-UHFFFAOYSA-N 1 2 346.431 0.471 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001073901757 787483451 /nfs/dbraw/zinc/48/34/51/787483451.db2.gz DOJDIVPKKUMVPX-KGLIPLIRSA-N 1 2 343.855 0.814 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001073901757 787483456 /nfs/dbraw/zinc/48/34/56/787483456.db2.gz DOJDIVPKKUMVPX-KGLIPLIRSA-N 1 2 343.855 0.814 20 30 ECEDLO C=CCCC(=O)NCC1(O)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001074650538 787508252 /nfs/dbraw/zinc/50/82/52/787508252.db2.gz FRNYOGXWZXFHKS-UHFFFAOYSA-N 1 2 334.420 0.709 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001073960357 787587334 /nfs/dbraw/zinc/58/73/34/787587334.db2.gz MZUSEHWSUIEMSH-HOCLYGCPSA-N 1 2 346.431 0.356 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001073961001 787589962 /nfs/dbraw/zinc/58/99/62/787589962.db2.gz VPBFRLAPUPDZTF-HOCLYGCPSA-N 1 2 346.431 0.735 20 30 ECEDLO C#CCOCCC(=O)N[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001073961001 787589966 /nfs/dbraw/zinc/58/99/66/787589966.db2.gz VPBFRLAPUPDZTF-HOCLYGCPSA-N 1 2 346.431 0.735 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001073961000 787590069 /nfs/dbraw/zinc/59/00/69/787590069.db2.gz VPBFRLAPUPDZTF-GOEBONIOSA-N 1 2 346.431 0.735 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001073961000 787590073 /nfs/dbraw/zinc/59/00/73/787590073.db2.gz VPBFRLAPUPDZTF-GOEBONIOSA-N 1 2 346.431 0.735 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)CSCC#N)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001074842432 788415341 /nfs/dbraw/zinc/41/53/41/788415341.db2.gz AQNGOPUACFLMPQ-VXGBXAGGSA-N 1 2 335.433 0.705 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)Cn3nccn3)C2)C1 ZINC001072783120 788788217 /nfs/dbraw/zinc/78/82/17/788788217.db2.gz UQHNTOHYYVMDLE-UHFFFAOYSA-N 1 2 340.225 0.721 20 30 ECEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)Cn3nccn3)C2)C1 ZINC001072783120 788788221 /nfs/dbraw/zinc/78/82/21/788788221.db2.gz UQHNTOHYYVMDLE-UHFFFAOYSA-N 1 2 340.225 0.721 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001075128138 788945651 /nfs/dbraw/zinc/94/56/51/788945651.db2.gz VLPAQZLKTIPZEC-UONOGXRCSA-N 1 2 332.404 0.488 20 30 ECEDLO CC#CC[N@@H+]1CCC2(CN(C(=O)C3(S(C)(=O)=O)CCCC3)C2)C1 ZINC001073053697 789353410 /nfs/dbraw/zinc/35/34/10/789353410.db2.gz RQVLPVBLRYMHRA-UHFFFAOYSA-N 1 2 338.473 0.901 20 30 ECEDLO CC#CC[N@H+]1CCC2(CN(C(=O)C3(S(C)(=O)=O)CCCC3)C2)C1 ZINC001073053697 789353420 /nfs/dbraw/zinc/35/34/20/789353420.db2.gz RQVLPVBLRYMHRA-UHFFFAOYSA-N 1 2 338.473 0.901 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCCN1c1cnc(C#N)cn1 ZINC001069375240 789782939 /nfs/dbraw/zinc/78/29/39/789782939.db2.gz GHDFIVIKVXQEQM-IUODEOHRSA-N 1 2 339.403 0.798 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC001073423022 789817402 /nfs/dbraw/zinc/81/74/02/789817402.db2.gz VNDJOCMGZBACLX-HUUCEWRRSA-N 1 2 346.431 0.665 20 30 ECEDLO CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1Nc1ccnc(C#N)n1 ZINC001069574872 789911340 /nfs/dbraw/zinc/91/13/40/789911340.db2.gz YQFRPYBAPYRSFK-GFCCVEGCSA-N 1 2 325.376 0.316 20 30 ECEDLO CC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1Nc1ccnc(C#N)n1 ZINC001069627658 789938805 /nfs/dbraw/zinc/93/88/05/789938805.db2.gz KOSSHVMUOSULTE-CYBMUJFWSA-N 1 2 339.403 0.775 20 30 ECEDLO CC1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1Nc1ccnc(C#N)n1 ZINC001069627658 789938809 /nfs/dbraw/zinc/93/88/09/789938809.db2.gz KOSSHVMUOSULTE-CYBMUJFWSA-N 1 2 339.403 0.775 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3cnn(C)c3N)c2C1 ZINC001069858146 790108616 /nfs/dbraw/zinc/10/86/16/790108616.db2.gz FMSFYFAAALSBFS-UHFFFAOYSA-N 1 2 329.408 0.521 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3cnn(C)c3N)c2C1 ZINC001069858146 790108618 /nfs/dbraw/zinc/10/86/18/790108618.db2.gz FMSFYFAAALSBFS-UHFFFAOYSA-N 1 2 329.408 0.521 20 30 ECEDLO N#CCN1CCn2ncc(CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)c2C1 ZINC001069865541 790122223 /nfs/dbraw/zinc/12/22/23/790122223.db2.gz IRSANNHKOSJTTF-CYBMUJFWSA-N 1 2 339.403 0.298 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3ccc(=O)n(C)n3)c2C1 ZINC001069882557 790148092 /nfs/dbraw/zinc/14/80/92/790148092.db2.gz NFAJTVDINSPNGA-UHFFFAOYSA-N 1 2 342.403 0.299 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3ccc(=O)n(C)n3)c2C1 ZINC001069882557 790148094 /nfs/dbraw/zinc/14/80/94/790148094.db2.gz NFAJTVDINSPNGA-UHFFFAOYSA-N 1 2 342.403 0.299 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2cc(C)on2)[C@@H](n2ccnn2)C1 ZINC001069903498 790172476 /nfs/dbraw/zinc/17/24/76/790172476.db2.gz AEJFDLDKAQHXSO-CABCVRRESA-N 1 2 328.376 0.182 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)Cc2cc(C)on2)[C@@H](n2ccnn2)C1 ZINC001069903498 790172478 /nfs/dbraw/zinc/17/24/78/790172478.db2.gz AEJFDLDKAQHXSO-CABCVRRESA-N 1 2 328.376 0.182 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C(C)C)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001069921727 790192076 /nfs/dbraw/zinc/19/20/76/790192076.db2.gz WYUVKWAZVMNMAO-ZBFHGGJFSA-N 1 2 341.419 0.424 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(C)C)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001069921727 790192079 /nfs/dbraw/zinc/19/20/79/790192079.db2.gz WYUVKWAZVMNMAO-ZBFHGGJFSA-N 1 2 341.419 0.424 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(C)nnc2C)[C@@H](n2ccnn2)C1 ZINC001069938009 790212361 /nfs/dbraw/zinc/21/23/61/790212361.db2.gz ZEIVNLWTHYNJBW-CABCVRRESA-N 1 2 327.392 0.526 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)nnc2C)[C@@H](n2ccnn2)C1 ZINC001069938009 790212363 /nfs/dbraw/zinc/21/23/63/790212363.db2.gz ZEIVNLWTHYNJBW-CABCVRRESA-N 1 2 327.392 0.526 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cn2cc(C3CC3)cn2)[C@@H](n2ccnn2)C1 ZINC001069963503 790248176 /nfs/dbraw/zinc/24/81/76/790248176.db2.gz JXGPOBGIUQYVDJ-CVEARBPZSA-N 1 2 339.403 0.027 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cn2cc(C3CC3)cn2)[C@@H](n2ccnn2)C1 ZINC001069963503 790248177 /nfs/dbraw/zinc/24/81/77/790248177.db2.gz JXGPOBGIUQYVDJ-CVEARBPZSA-N 1 2 339.403 0.027 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2CCC)[C@@H](n2ccnn2)C1 ZINC001069965849 790252420 /nfs/dbraw/zinc/25/24/20/790252420.db2.gz JKEYJPWDQPUZOA-CABCVRRESA-N 1 2 327.392 0.242 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2CCC)[C@@H](n2ccnn2)C1 ZINC001069965849 790252425 /nfs/dbraw/zinc/25/24/25/790252425.db2.gz JKEYJPWDQPUZOA-CABCVRRESA-N 1 2 327.392 0.242 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069968051 790255221 /nfs/dbraw/zinc/25/52/21/790255221.db2.gz CYWTZTPFVLBPTF-KGLIPLIRSA-N 1 2 341.419 0.587 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)[C@@H](n2ccnn2)C1 ZINC001069968051 790255224 /nfs/dbraw/zinc/25/52/24/790255224.db2.gz CYWTZTPFVLBPTF-KGLIPLIRSA-N 1 2 341.419 0.587 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)C[C@H](NC(=O)C#CC(C)C)CO2 ZINC001068859240 791280296 /nfs/dbraw/zinc/28/02/96/791280296.db2.gz OZDPOBSPRJMOQV-AWEZNQCLSA-N 1 2 344.415 0.406 20 30 ECEDLO C[C@H]1[C@H](Nc2ccc(C#N)nn2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001068872596 791315292 /nfs/dbraw/zinc/31/52/92/791315292.db2.gz NDMZICRHMUQHHL-SMDDNHRTSA-N 1 2 325.376 0.726 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CC2(C1)C[C@@H](NC(=O)Cn1cc[nH+]c1)CO2 ZINC001068915623 791410697 /nfs/dbraw/zinc/41/06/97/791410697.db2.gz LPVHKEPEZWDUBN-HUUCEWRRSA-N 1 2 346.431 0.972 20 30 ECEDLO CC(C)(C)C#CC(=O)N1CC2(C1)C[C@@H](NC(=O)Cn1cc[nH+]c1)CO2 ZINC001068915666 791411126 /nfs/dbraw/zinc/41/11/26/791411126.db2.gz MAMPPWJJQIXKSU-CQSZACIVSA-N 1 2 344.415 0.419 20 30 ECEDLO C=C(C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)Cc1c[nH]c[nH+]1)CO2 ZINC001069057251 791661701 /nfs/dbraw/zinc/66/17/01/791661701.db2.gz CRTOSHIZLPOSQH-AWEZNQCLSA-N 1 2 332.404 0.795 20 30 ECEDLO N#Cc1ccc(NC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CCO2)nc1 ZINC001066688049 791993362 /nfs/dbraw/zinc/99/33/62/791993362.db2.gz SEVGBCAJDIOLRC-OAHLLOKOSA-N 1 2 340.387 0.948 20 30 ECEDLO N#Cc1ccc(NC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CCO2)nc1 ZINC001066688049 791993367 /nfs/dbraw/zinc/99/33/67/791993367.db2.gz SEVGBCAJDIOLRC-OAHLLOKOSA-N 1 2 340.387 0.948 20 30 ECEDLO N#Cc1cncc(NC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CCO2)n1 ZINC001066688134 791994134 /nfs/dbraw/zinc/99/41/34/791994134.db2.gz VQIKOTVZEKXNSK-AWEZNQCLSA-N 1 2 341.375 0.343 20 30 ECEDLO N#Cc1cncc(NC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CCO2)n1 ZINC001066688134 791994144 /nfs/dbraw/zinc/99/41/44/791994144.db2.gz VQIKOTVZEKXNSK-AWEZNQCLSA-N 1 2 341.375 0.343 20 30 ECEDLO CC(C)(F)C(=O)N1CC[C@@H]([NH+]2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001066696188 792010583 /nfs/dbraw/zinc/01/05/83/792010583.db2.gz CABGTOCZTNWANY-CQSZACIVSA-N 1 2 346.410 0.819 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001066699007 792019562 /nfs/dbraw/zinc/01/95/62/792019562.db2.gz QWEORWPIOTXEGA-ZFWWWQNUSA-N 1 2 339.403 0.231 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001066698766 792020102 /nfs/dbraw/zinc/02/01/02/792020102.db2.gz OKTADCHNSHKOIM-DZGCQCFKSA-N 1 2 339.403 0.231 20 30 ECEDLO C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001067794069 792298588 /nfs/dbraw/zinc/29/85/88/792298588.db2.gz AEJAHNDIOMXNFQ-AWEZNQCLSA-N 1 2 338.452 0.564 20 30 ECEDLO N#Cc1cccnc1N[C@@]1(CO)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001066923907 792396277 /nfs/dbraw/zinc/39/62/77/792396277.db2.gz XTBDPRNVRQAUFU-KRWDZBQOSA-N 1 2 340.387 0.684 20 30 ECEDLO C[C@@H]1CCN(c2cnc(C#N)cn2)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067967804 792522028 /nfs/dbraw/zinc/52/20/28/792522028.db2.gz ROCAYYQIZLYQSZ-DGCLKSJQSA-N 1 2 325.376 0.645 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)CC1(C)C ZINC001068117255 792700768 /nfs/dbraw/zinc/70/07/68/792700768.db2.gz QWQJGCABZDCABN-CQSZACIVSA-N 1 2 339.403 0.655 20 30 ECEDLO CC1(C)CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001068119684 792705512 /nfs/dbraw/zinc/70/55/12/792705512.db2.gz UOYQQYWINIRCHE-GFCCVEGCSA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1Nc1ccnc(C#N)n1 ZINC001067227593 792848299 /nfs/dbraw/zinc/84/82/99/792848299.db2.gz PODZJFUCAFQHPX-OLZOCXBDSA-N 1 2 339.403 0.395 20 30 ECEDLO C[C@@H](Nc1nccnc1C#N)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001068235828 792891771 /nfs/dbraw/zinc/89/17/71/792891771.db2.gz AYXJOZXUXQECJX-YPMHNXCESA-N 1 2 341.375 0.342 20 30 ECEDLO C[C@H](Nc1ccc(C#N)nn1)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001068236335 792894439 /nfs/dbraw/zinc/89/44/39/792894439.db2.gz HJHXLRBJMWLLPK-AAEUAGOBSA-N 1 2 341.375 0.342 20 30 ECEDLO C[C@H](Nc1ccc(C#N)nc1)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001068245263 792924839 /nfs/dbraw/zinc/92/48/39/792924839.db2.gz JAVWSWKBGXGCCD-LRDDRELGSA-N 1 2 340.387 0.947 20 30 ECEDLO C[C@@H](Nc1ccncc1C#N)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001068246050 792927101 /nfs/dbraw/zinc/92/71/01/792927101.db2.gz SKSBFTQRZOIVQQ-WBMJQRKESA-N 1 2 340.387 0.369 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N(C)CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001067293385 792948007 /nfs/dbraw/zinc/94/80/07/792948007.db2.gz WIDQLSIFBUBCQK-KRWDZBQOSA-N 1 2 336.436 0.976 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N(C)CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001067293385 792948016 /nfs/dbraw/zinc/94/80/16/792948016.db2.gz WIDQLSIFBUBCQK-KRWDZBQOSA-N 1 2 336.436 0.976 20 30 ECEDLO CC1(C)CN(c2cnc(C#N)cn2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067327288 792994730 /nfs/dbraw/zinc/99/47/30/792994730.db2.gz UANVFAMVFILAQL-AWEZNQCLSA-N 1 2 339.403 0.966 20 30 ECEDLO C[C@@H]1C[C@H](CNc2nccnc2C#N)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001068375745 793151059 /nfs/dbraw/zinc/15/10/59/793151059.db2.gz MBJLYXFHAAKJNY-VXGBXAGGSA-N 1 2 325.376 0.963 20 30 ECEDLO C#CCCCC(=O)N1CCOC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001068389082 793181399 /nfs/dbraw/zinc/18/13/99/793181399.db2.gz WHZSYZLUOBPQMQ-UHFFFAOYSA-N 1 2 344.415 0.504 20 30 ECEDLO C=CCCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CCO2 ZINC001068408979 793249708 /nfs/dbraw/zinc/24/97/08/793249708.db2.gz PFMVWJWMAUKDEC-ZIAGYGMSSA-N 1 2 344.415 0.919 20 30 ECEDLO C=CCCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CCO2 ZINC001068408979 793249721 /nfs/dbraw/zinc/24/97/21/793249721.db2.gz PFMVWJWMAUKDEC-ZIAGYGMSSA-N 1 2 344.415 0.919 20 30 ECEDLO C=CCCCC(=O)N1CCOC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001068451290 793333613 /nfs/dbraw/zinc/33/36/13/793333613.db2.gz KORWDUHPUBOJGU-UHFFFAOYSA-N 1 2 332.404 0.748 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NCC1CCC1 ZINC001267529516 837701401 /nfs/dbraw/zinc/70/14/01/837701401.db2.gz BURLNRDOBODVFQ-CALCHBBNSA-N 1 2 347.459 0.618 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NCC1CCC1 ZINC001267529516 837701409 /nfs/dbraw/zinc/70/14/09/837701409.db2.gz BURLNRDOBODVFQ-CALCHBBNSA-N 1 2 347.459 0.618 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cc[n+]([O-])cc2)C1 ZINC001267539802 837724295 /nfs/dbraw/zinc/72/42/95/837724295.db2.gz QGYFFUBEQDEGGD-INIZCTEOSA-N 1 2 346.431 0.549 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cc[n+]([O-])cc2)C1 ZINC001267539802 837724300 /nfs/dbraw/zinc/72/43/00/837724300.db2.gz QGYFFUBEQDEGGD-INIZCTEOSA-N 1 2 346.431 0.549 20 30 ECEDLO CCCN(C(=O)Cn1cc(C)cn1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267540446 837724404 /nfs/dbraw/zinc/72/44/04/837724404.db2.gz ZKMVTJUFKPNRFQ-HNNXBMFYSA-N 1 2 346.435 0.144 20 30 ECEDLO CCCN(C(=O)Cn1cc(C)cn1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267540446 837724410 /nfs/dbraw/zinc/72/44/10/837724410.db2.gz ZKMVTJUFKPNRFQ-HNNXBMFYSA-N 1 2 346.435 0.144 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)c2nccc(C)n2)C1 ZINC001267541096 837726557 /nfs/dbraw/zinc/72/65/57/837726557.db2.gz VOCGQQCKLFXEKO-HNNXBMFYSA-N 1 2 343.431 0.461 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2nccc(C)n2)C1 ZINC001267541096 837726565 /nfs/dbraw/zinc/72/65/65/837726565.db2.gz VOCGQQCKLFXEKO-HNNXBMFYSA-N 1 2 343.431 0.461 20 30 ECEDLO C#CC[NH+]1CCN(CCN(C)C(=O)C[C@@H]2CCOC[C@H]2OC)CC1 ZINC001267572893 837811252 /nfs/dbraw/zinc/81/12/52/837811252.db2.gz ANLUBIAXARKHKD-DLBZAZTESA-N 1 2 337.464 0.137 20 30 ECEDLO C=CCN1CC[NH+](CCN(C)C(=O)Cn2cc(C3CC3)nn2)CC1 ZINC001267572966 837812245 /nfs/dbraw/zinc/81/22/45/837812245.db2.gz DDXRMSXEOCZKJT-UHFFFAOYSA-N 1 2 332.452 0.418 20 30 ECEDLO C#CCNC(=O)[C@@H](C)N1CC[NH+](CCN(C)C(=O)[C@@H](C)CC)CC1 ZINC001267573316 837815568 /nfs/dbraw/zinc/81/55/68/837815568.db2.gz DKXACQVGCKBRLJ-JKSUJKDBSA-N 1 2 336.480 0.246 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(CCN(C)C(=O)[C@@H](C)CC)CC1 ZINC001267573316 837815579 /nfs/dbraw/zinc/81/55/79/837815579.db2.gz DKXACQVGCKBRLJ-JKSUJKDBSA-N 1 2 336.480 0.246 20 30 ECEDLO CC#CCN1CC[NH+](CCN(C)C(=O)c2ccnc3n[nH]nc32)CC1 ZINC001267573777 837817044 /nfs/dbraw/zinc/81/70/44/837817044.db2.gz YBHCYSIOHRGOTG-UHFFFAOYSA-N 1 2 341.419 0.066 20 30 ECEDLO C=CC(C)(C)C(=O)N(C)CCN1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC001267574863 837824379 /nfs/dbraw/zinc/82/43/79/837824379.db2.gz VDOXMPVDBHUUPN-HNNXBMFYSA-N 1 2 336.480 0.553 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NC(C)C)C2)nc1 ZINC001266245644 835550996 /nfs/dbraw/zinc/55/09/96/835550996.db2.gz DOLRJXBYYDZPIT-HNNXBMFYSA-N 1 2 328.416 0.782 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=O)NC(C)C)C2)nc1 ZINC001266245644 835551002 /nfs/dbraw/zinc/55/10/02/835551002.db2.gz DOLRJXBYYDZPIT-HNNXBMFYSA-N 1 2 328.416 0.782 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1ocnc1-c1ccccc1 ZINC001266280829 835609281 /nfs/dbraw/zinc/60/92/81/835609281.db2.gz VHFUQYWRRKDRMD-UHFFFAOYSA-N 1 2 340.383 0.753 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1ocnc1-c1ccccc1 ZINC001266280829 835609287 /nfs/dbraw/zinc/60/92/87/835609287.db2.gz VHFUQYWRRKDRMD-UHFFFAOYSA-N 1 2 340.383 0.753 20 30 ECEDLO CC#CCN1CC[NH+](CCNC(=O)Cc2cnn3c2CCCC3)CC1 ZINC001266285628 835620049 /nfs/dbraw/zinc/62/00/49/835620049.db2.gz GUELASLOQGVFFH-UHFFFAOYSA-N 1 2 343.475 0.519 20 30 ECEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(CCNC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001266290378 835634085 /nfs/dbraw/zinc/63/40/85/835634085.db2.gz XQJIEEXGFLERFU-FRQCXROJSA-N 1 2 348.491 0.601 20 30 ECEDLO C[N@@H+](CC#Cc1ccc(F)cc1)CCNC(=O)C(=O)NCC(F)F ZINC001266291123 835635872 /nfs/dbraw/zinc/63/58/72/835635872.db2.gz WEXCIUHUAMLLMK-UHFFFAOYSA-N 1 2 341.333 0.607 20 30 ECEDLO C[N@H+](CC#Cc1ccc(F)cc1)CCNC(=O)C(=O)NCC(F)F ZINC001266291123 835635875 /nfs/dbraw/zinc/63/58/75/835635875.db2.gz WEXCIUHUAMLLMK-UHFFFAOYSA-N 1 2 341.333 0.607 20 30 ECEDLO COCC#CCN1CC[NH+](CCNC(=O)[C@H]2CCOC[C@@H]2C)CC1 ZINC001266292747 835637101 /nfs/dbraw/zinc/63/71/01/835637101.db2.gz SVFIPQXEHBHRFZ-IRXDYDNUSA-N 1 2 337.464 0.043 20 30 ECEDLO COCC#CC[NH+]1CCN(CCNC(=O)[C@H]2CCOC[C@@H]2C)CC1 ZINC001266292747 835637102 /nfs/dbraw/zinc/63/71/02/835637102.db2.gz SVFIPQXEHBHRFZ-IRXDYDNUSA-N 1 2 337.464 0.043 20 30 ECEDLO CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)CSCC#N)C1 ZINC001266302251 835663945 /nfs/dbraw/zinc/66/39/45/835663945.db2.gz MGHIFOZNAODJKX-STQMWFEESA-N 1 2 326.466 0.738 20 30 ECEDLO CCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](NC(=O)CSCC#N)C1 ZINC001266302251 835663951 /nfs/dbraw/zinc/66/39/51/835663951.db2.gz MGHIFOZNAODJKX-STQMWFEESA-N 1 2 326.466 0.738 20 30 ECEDLO C[N@H+](CCNC(=O)C1(c2cccnc2)CCCC1)CC(=O)NCC#N ZINC001266313478 835680768 /nfs/dbraw/zinc/68/07/68/835680768.db2.gz LFSKBOAMFSDKDI-UHFFFAOYSA-N 1 2 343.431 0.581 20 30 ECEDLO C[N@@H+](CCNC(=O)C1(c2cccnc2)CCCC1)CC(=O)NCC#N ZINC001266313478 835680774 /nfs/dbraw/zinc/68/07/74/835680774.db2.gz LFSKBOAMFSDKDI-UHFFFAOYSA-N 1 2 343.431 0.581 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(F)cc2F)C1 ZINC001266320714 835692014 /nfs/dbraw/zinc/69/20/14/835692014.db2.gz DVPKDTCOKZPPLJ-CYBMUJFWSA-N 1 2 336.342 0.338 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(F)cc2F)C1 ZINC001266320714 835692020 /nfs/dbraw/zinc/69/20/20/835692020.db2.gz DVPKDTCOKZPPLJ-CYBMUJFWSA-N 1 2 336.342 0.338 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccn(CC(C)C)n2)C1 ZINC001266320926 835693128 /nfs/dbraw/zinc/69/31/28/835693128.db2.gz IXCGTVFIVKQYHS-AWEZNQCLSA-N 1 2 331.420 0.093 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccn(CC(C)C)n2)C1 ZINC001266320926 835693131 /nfs/dbraw/zinc/69/31/31/835693131.db2.gz IXCGTVFIVKQYHS-AWEZNQCLSA-N 1 2 331.420 0.093 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2nc(C)n3ccccc23)C1 ZINC001266330053 835711031 /nfs/dbraw/zinc/71/10/31/835711031.db2.gz ASDWVDNNQMKHKY-AWEZNQCLSA-N 1 2 339.399 0.196 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2nc(C)n3ccccc23)C1 ZINC001266330053 835711034 /nfs/dbraw/zinc/71/10/34/835711034.db2.gz ASDWVDNNQMKHKY-AWEZNQCLSA-N 1 2 339.399 0.196 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccncn2)C1 ZINC001266348011 835741356 /nfs/dbraw/zinc/74/13/56/835741356.db2.gz UMKBADYDPSIYAK-AWEZNQCLSA-N 1 2 331.420 0.705 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)c2ccncn2)C1 ZINC001266348011 835741366 /nfs/dbraw/zinc/74/13/66/835741366.db2.gz UMKBADYDPSIYAK-AWEZNQCLSA-N 1 2 331.420 0.705 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]nc2-c2ccco2)C1 ZINC001266359170 835767135 /nfs/dbraw/zinc/76/71/35/835767135.db2.gz OZXFJQBMICQQMJ-NSHDSACASA-N 1 2 342.359 0.114 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2-c2ccco2)C1 ZINC001266359170 835767144 /nfs/dbraw/zinc/76/71/44/835767144.db2.gz OZXFJQBMICQQMJ-NSHDSACASA-N 1 2 342.359 0.114 20 30 ECEDLO Cc1ccccc1[C@H](C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001266360753 835769948 /nfs/dbraw/zinc/76/99/48/835769948.db2.gz BTCWFYRMUYSMJE-LSDHHAIUSA-N 1 2 328.416 0.929 20 30 ECEDLO Cc1ccccc1[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001266360753 835769959 /nfs/dbraw/zinc/76/99/59/835769959.db2.gz BTCWFYRMUYSMJE-LSDHHAIUSA-N 1 2 328.416 0.929 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1cc(NC(C)=O)ccc1F ZINC001266364897 835777376 /nfs/dbraw/zinc/77/73/76/835777376.db2.gz GGBFLWNUVRVQNT-UHFFFAOYSA-N 1 2 348.378 0.195 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1cc(NC(C)=O)ccc1F ZINC001266364897 835777383 /nfs/dbraw/zinc/77/73/83/835777383.db2.gz GGBFLWNUVRVQNT-UHFFFAOYSA-N 1 2 348.378 0.195 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)SC ZINC001266484173 835883928 /nfs/dbraw/zinc/88/39/28/835883928.db2.gz QZGLRIOPOQLGJV-TUVASFSCSA-N 1 2 337.489 0.941 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)SC ZINC001266484173 835883933 /nfs/dbraw/zinc/88/39/33/835883933.db2.gz QZGLRIOPOQLGJV-TUVASFSCSA-N 1 2 337.489 0.941 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C[C@](C)(O)C=C)C1=O ZINC001266483691 835884127 /nfs/dbraw/zinc/88/41/27/835884127.db2.gz AVWGQSRVFHGJEL-CYJAXWMASA-N 1 2 347.459 0.776 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)C[C@](C)(O)C=C)C1=O ZINC001266483691 835884131 /nfs/dbraw/zinc/88/41/31/835884131.db2.gz AVWGQSRVFHGJEL-CYJAXWMASA-N 1 2 347.459 0.776 20 30 ECEDLO C[C@@H](c1nnnn1C1CC1)[N@@H+]1CC[C@@H](CNC(=O)CSCC#N)C1 ZINC001266499435 835900994 /nfs/dbraw/zinc/90/09/94/835900994.db2.gz ARAZCWYUJPSAFW-RYUDHWBXSA-N 1 2 349.464 0.764 20 30 ECEDLO C[C@@H](c1nnnn1C1CC1)[N@H+]1CC[C@@H](CNC(=O)CSCC#N)C1 ZINC001266499435 835901006 /nfs/dbraw/zinc/90/10/06/835901006.db2.gz ARAZCWYUJPSAFW-RYUDHWBXSA-N 1 2 349.464 0.764 20 30 ECEDLO CC(C)(C)C#CC(=O)NC[C@@H]1CC[N@H+](CC(=O)Nc2cnccn2)C1 ZINC001266513587 835923449 /nfs/dbraw/zinc/92/34/49/835923449.db2.gz CRAPXLNJBFZKKA-AWEZNQCLSA-N 1 2 343.431 0.903 20 30 ECEDLO CC(C)(C)C#CC(=O)NC[C@@H]1CC[N@@H+](CC(=O)Nc2cnccn2)C1 ZINC001266513587 835923452 /nfs/dbraw/zinc/92/34/52/835923452.db2.gz CRAPXLNJBFZKKA-AWEZNQCLSA-N 1 2 343.431 0.903 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1nccc(C)n1 ZINC001266840288 836366245 /nfs/dbraw/zinc/36/62/45/836366245.db2.gz RPYOMPVIQPFOQC-CQSZACIVSA-N 1 2 329.404 0.119 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1nccc(C)n1 ZINC001266840288 836366247 /nfs/dbraw/zinc/36/62/47/836366247.db2.gz RPYOMPVIQPFOQC-CQSZACIVSA-N 1 2 329.404 0.119 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)c1cnoc1CC ZINC001266855516 836389590 /nfs/dbraw/zinc/38/95/90/836389590.db2.gz DOOPZIHOFBJRFS-ZDUSSCGKSA-N 1 2 332.404 0.571 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cnoc1CC ZINC001266855516 836389601 /nfs/dbraw/zinc/38/96/01/836389601.db2.gz DOOPZIHOFBJRFS-ZDUSSCGKSA-N 1 2 332.404 0.571 20 30 ECEDLO C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001267087531 836737797 /nfs/dbraw/zinc/73/77/97/836737797.db2.gz FNBQFAKUADGQKU-CHWSQXEVSA-N 1 2 342.403 0.112 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1ccnc2[nH]c(C)nc21 ZINC001267209736 836995446 /nfs/dbraw/zinc/99/54/46/836995446.db2.gz KAYDLMLPJKTVTQ-UHFFFAOYSA-N 1 2 330.392 0.230 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccnc2[nH]c(C)nc21 ZINC001267209736 836995453 /nfs/dbraw/zinc/99/54/53/836995453.db2.gz KAYDLMLPJKTVTQ-UHFFFAOYSA-N 1 2 330.392 0.230 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1ccc(OCC#C)cc1 ZINC001267221007 837014797 /nfs/dbraw/zinc/01/47/97/837014797.db2.gz PAZJKRZZMGGWGM-UHFFFAOYSA-N 1 2 327.384 0.110 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccc(OCC#C)cc1 ZINC001267221007 837014808 /nfs/dbraw/zinc/01/48/08/837014808.db2.gz PAZJKRZZMGGWGM-UHFFFAOYSA-N 1 2 327.384 0.110 20 30 ECEDLO CC[N@@H+](CC#CCOC)CCNC(=O)[C@@]1(C)CCCS1(=O)=O ZINC001267252186 837069843 /nfs/dbraw/zinc/06/98/43/837069843.db2.gz FRKWTGCOXAVCBV-OAHLLOKOSA-N 1 2 330.450 0.042 20 30 ECEDLO CC[N@H+](CC#CCOC)CCNC(=O)[C@@]1(C)CCCS1(=O)=O ZINC001267252186 837069848 /nfs/dbraw/zinc/06/98/48/837069848.db2.gz FRKWTGCOXAVCBV-OAHLLOKOSA-N 1 2 330.450 0.042 20 30 ECEDLO C#CCNC(=O)C[N@@H+](CCNC(=O)C(C)(C)c1c[nH]cn1)C1CC1 ZINC001267336817 837220187 /nfs/dbraw/zinc/22/01/87/837220187.db2.gz XXZDIGDSSNAOMP-UHFFFAOYSA-N 1 2 331.420 0.017 20 30 ECEDLO C#CCNC(=O)C[N@H+](CCNC(=O)C(C)(C)c1c[nH]cn1)C1CC1 ZINC001267336817 837220194 /nfs/dbraw/zinc/22/01/94/837220194.db2.gz XXZDIGDSSNAOMP-UHFFFAOYSA-N 1 2 331.420 0.017 20 30 ECEDLO C=CCCC(=O)N(C)CC[NH+]1CCN(Cc2nnnn2C2CC2)CC1 ZINC001267605997 837944383 /nfs/dbraw/zinc/94/43/83/837944383.db2.gz KBZWNCPUYYBWDW-UHFFFAOYSA-N 1 2 347.467 0.550 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2csc3cncn32)C1 ZINC001267617903 838045903 /nfs/dbraw/zinc/04/59/03/838045903.db2.gz MNTKQCGJNRYYBU-GFCCVEGCSA-N 1 2 345.428 0.339 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2csc3cncn32)C1 ZINC001267617903 838045914 /nfs/dbraw/zinc/04/59/14/838045914.db2.gz MNTKQCGJNRYYBU-GFCCVEGCSA-N 1 2 345.428 0.339 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)nc2)C1 ZINC001267620738 838059673 /nfs/dbraw/zinc/05/96/73/838059673.db2.gz GGYUBUWCHHTFCO-ZBFHGGJFSA-N 1 2 328.416 0.722 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2ccc(C)nc2)C1 ZINC001267620738 838059676 /nfs/dbraw/zinc/05/96/76/838059676.db2.gz GGYUBUWCHHTFCO-ZBFHGGJFSA-N 1 2 328.416 0.722 20 30 ECEDLO CCOCCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001267623697 838067040 /nfs/dbraw/zinc/06/70/40/838067040.db2.gz GOSNVHQSDIOFSJ-AWEZNQCLSA-N 1 2 347.419 0.233 20 30 ECEDLO CCOCCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001267623697 838067051 /nfs/dbraw/zinc/06/70/51/838067051.db2.gz GOSNVHQSDIOFSJ-AWEZNQCLSA-N 1 2 347.419 0.233 20 30 ECEDLO C=CCNC(=O)CN1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267628360 838083428 /nfs/dbraw/zinc/08/34/28/838083428.db2.gz YQPHBQOTOOCBHW-ZDUSSCGKSA-N 1 2 349.435 0.233 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001267634753 838103049 /nfs/dbraw/zinc/10/30/49/838103049.db2.gz MTWCIZGXPWTJAI-SFHVURJKSA-N 1 2 337.423 0.758 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC#Cc2ccccc2)C1 ZINC001267634753 838103058 /nfs/dbraw/zinc/10/30/58/838103058.db2.gz MTWCIZGXPWTJAI-SFHVURJKSA-N 1 2 337.423 0.758 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCc2cscn2)C1 ZINC001267635704 838107273 /nfs/dbraw/zinc/10/72/73/838107273.db2.gz JMCCYLDLELIWGE-ZDUSSCGKSA-N 1 2 336.461 0.959 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCc2cscn2)C1 ZINC001267635704 838107282 /nfs/dbraw/zinc/10/72/82/838107282.db2.gz JMCCYLDLELIWGE-ZDUSSCGKSA-N 1 2 336.461 0.959 20 30 ECEDLO O=C(CCn1ccnn1)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001267678331 838231747 /nfs/dbraw/zinc/23/17/47/838231747.db2.gz ARUDZKNRCVCHAK-UHFFFAOYSA-N 1 2 341.390 0.907 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[NH+]1CC(CNC(=O)c2cnc(C)[nH]2)C1 ZINC001267679349 838234982 /nfs/dbraw/zinc/23/49/82/838234982.db2.gz OMMKRQAAMUSVLC-UHFFFAOYSA-N 1 2 333.436 0.804 20 30 ECEDLO C#CCOCCC(=O)NCC1C[NH+](CC(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC001267681448 838241982 /nfs/dbraw/zinc/24/19/82/838241982.db2.gz MZUYRKDHNRCCLF-IYBDPMFKSA-N 1 2 349.475 0.579 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2cnn(CCC)c2)C1 ZINC001267693544 838277432 /nfs/dbraw/zinc/27/74/32/838277432.db2.gz JMAJGBSVAHNNQO-CYBMUJFWSA-N 1 2 331.420 0.093 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2cc(C)nc2C1 ZINC001267709112 838314769 /nfs/dbraw/zinc/31/47/69/838314769.db2.gz PIHJJUFFFALDFB-IKGGRYGDSA-N 1 2 342.443 0.689 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2cc(C)nc2C1 ZINC001267709112 838314773 /nfs/dbraw/zinc/31/47/73/838314773.db2.gz PIHJJUFFFALDFB-IKGGRYGDSA-N 1 2 342.443 0.689 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001267729209 838413518 /nfs/dbraw/zinc/41/35/18/838413518.db2.gz YHQTUDVGZQPNPI-MSOLQXFVSA-N 1 2 339.439 0.731 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001267729209 838413522 /nfs/dbraw/zinc/41/35/22/838413522.db2.gz YHQTUDVGZQPNPI-MSOLQXFVSA-N 1 2 339.439 0.731 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](CCCS(=O)(=O)C(C)C)C1 ZINC001267742055 838444013 /nfs/dbraw/zinc/44/40/13/838444013.db2.gz YGAPTXIWOLIGBQ-LSDHHAIUSA-N 1 2 344.477 0.429 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1CC[N@H+](CCCS(=O)(=O)C(C)C)C1 ZINC001267742055 838444015 /nfs/dbraw/zinc/44/40/15/838444015.db2.gz YGAPTXIWOLIGBQ-LSDHHAIUSA-N 1 2 344.477 0.429 20 30 ECEDLO COc1cccc(CCC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)c1 ZINC001267744853 838448172 /nfs/dbraw/zinc/44/81/72/838448172.db2.gz NBPGHKVUQYHGHT-OAHLLOKOSA-N 1 2 344.415 0.458 20 30 ECEDLO COc1cccc(CCC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)c1 ZINC001267744853 838448173 /nfs/dbraw/zinc/44/81/73/838448173.db2.gz NBPGHKVUQYHGHT-OAHLLOKOSA-N 1 2 344.415 0.458 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@](C)(C=C)CC)C1 ZINC001267749192 838465439 /nfs/dbraw/zinc/46/54/39/838465439.db2.gz OVGGOKJQALCNFB-CXAGYDPISA-N 1 2 336.436 0.791 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@](C)(C=C)CC)C1 ZINC001267749192 838465444 /nfs/dbraw/zinc/46/54/44/838465444.db2.gz OVGGOKJQALCNFB-CXAGYDPISA-N 1 2 336.436 0.791 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccc(OC)c2OC)C1 ZINC001267751525 838473323 /nfs/dbraw/zinc/47/33/23/838473323.db2.gz CJMVLBIGPQEBKN-CYBMUJFWSA-N 1 2 345.399 0.257 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(OC)c2OC)C1 ZINC001267751525 838473324 /nfs/dbraw/zinc/47/33/24/838473324.db2.gz CJMVLBIGPQEBKN-CYBMUJFWSA-N 1 2 345.399 0.257 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC2(F)F)C1 ZINC001267762620 838491753 /nfs/dbraw/zinc/49/17/53/838491753.db2.gz SFZZVZYKUJJWNV-GHMZBOCLSA-N 1 2 344.362 0.186 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC2(F)F)C1 ZINC001267762620 838491754 /nfs/dbraw/zinc/49/17/54/838491754.db2.gz SFZZVZYKUJJWNV-GHMZBOCLSA-N 1 2 344.362 0.186 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cnco2)C1 ZINC001267769537 838514814 /nfs/dbraw/zinc/51/48/14/838514814.db2.gz YDTDSNVUSAKKFH-RYUDHWBXSA-N 1 2 349.391 0.221 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cnco2)C1 ZINC001267769537 838514818 /nfs/dbraw/zinc/51/48/18/838514818.db2.gz YDTDSNVUSAKKFH-RYUDHWBXSA-N 1 2 349.391 0.221 20 30 ECEDLO C=CCC1(C(=O)N(C)[C@@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)CCC1 ZINC001267772035 838523873 /nfs/dbraw/zinc/52/38/73/838523873.db2.gz RSQNJCVQIBCXJP-CYBMUJFWSA-N 1 2 333.436 0.888 20 30 ECEDLO C=CCC1(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)CCC1 ZINC001267772035 838523880 /nfs/dbraw/zinc/52/38/80/838523880.db2.gz RSQNJCVQIBCXJP-CYBMUJFWSA-N 1 2 333.436 0.888 20 30 ECEDLO CCN(C(=O)c1ncccc1C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267784729 838559994 /nfs/dbraw/zinc/55/99/94/838559994.db2.gz LTIHVTUCHKPFCP-AWEZNQCLSA-N 1 2 329.404 0.566 20 30 ECEDLO CCN(C(=O)c1ncccc1C)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267784729 838560000 /nfs/dbraw/zinc/56/00/00/838560000.db2.gz LTIHVTUCHKPFCP-AWEZNQCLSA-N 1 2 329.404 0.566 20 30 ECEDLO C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCc3c[nH]nc3C2)C1 ZINC001268028517 839041875 /nfs/dbraw/zinc/04/18/75/839041875.db2.gz HVSPTNGBJDBZTE-HOCLYGCPSA-N 1 2 348.447 0.534 20 30 ECEDLO C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCc3c[nH]nc3C2)C1 ZINC001268028517 839041886 /nfs/dbraw/zinc/04/18/86/839041886.db2.gz HVSPTNGBJDBZTE-HOCLYGCPSA-N 1 2 348.447 0.534 20 30 ECEDLO COc1cc(CNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)ccc1C#N ZINC000427224659 210186230 /nfs/dbraw/zinc/18/62/30/210186230.db2.gz LRDRBRBWYWODIN-HNNXBMFYSA-N 1 2 341.371 0.654 20 30 ECEDLO COc1cc(CNC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)ccc1C#N ZINC000427224659 210186227 /nfs/dbraw/zinc/18/62/27/210186227.db2.gz LRDRBRBWYWODIN-HNNXBMFYSA-N 1 2 341.371 0.654 20 30 ECEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)Cn1cnc(C#N)n1 ZINC000426864003 210167012 /nfs/dbraw/zinc/16/70/12/210167012.db2.gz JJSHCMQCKCSMEA-UHFFFAOYSA-N 1 2 340.387 0.929 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](CCN3C(=O)CCC3=O)CC2)c(F)c1 ZINC000101558300 219136296 /nfs/dbraw/zinc/13/62/96/219136296.db2.gz BQUXUQHUMUGTRF-UHFFFAOYSA-N 1 2 330.363 0.968 20 30 ECEDLO CN(CC[NH+]1CCOCC1)C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000066118233 215014779 /nfs/dbraw/zinc/01/47/79/215014779.db2.gz IZKZBTLPVOHGEC-UHFFFAOYSA-N 1 2 330.388 0.079 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](n3ccnn3)C2)nc1 ZINC000425514054 210067397 /nfs/dbraw/zinc/06/73/97/210067397.db2.gz PDBNPLACSIMVNF-CQSZACIVSA-N 1 2 346.416 0.656 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](n3ccnn3)C2)nc1 ZINC000425514054 210067401 /nfs/dbraw/zinc/06/74/01/210067401.db2.gz PDBNPLACSIMVNF-CQSZACIVSA-N 1 2 346.416 0.656 20 30 ECEDLO N#Cc1cc(F)cc(C2(C(=O)N[C@H](CO)C[NH+]3CCOCC3)CC2)c1 ZINC000425295176 210036313 /nfs/dbraw/zinc/03/63/13/210036313.db2.gz OWCQBMJIHUNPKG-INIZCTEOSA-N 1 2 347.390 0.538 20 30 ECEDLO Cc1cc(N2CCC(n3cnc(C(N)=O)c3N)CC2)c(C#N)c[nH+]1 ZINC000425262144 210027326 /nfs/dbraw/zinc/02/73/26/210027326.db2.gz REMDOFUYNWZONC-UHFFFAOYSA-N 1 2 325.376 0.981 20 30 ECEDLO N#Cc1ccc(CN2CC[NH+](CC(=O)N3CCOCC3)CC2)c(F)c1 ZINC000022845625 212328286 /nfs/dbraw/zinc/32/82/86/212328286.db2.gz SRZGMYCMACTBHO-UHFFFAOYSA-N 1 2 346.406 0.674 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(NC=O)cc2)CC1 ZINC000266106579 248100806 /nfs/dbraw/zinc/10/08/06/248100806.db2.gz IYUUZRWGRYMLBF-UHFFFAOYSA-N 1 2 342.399 0.152 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(NC=O)cc2)CC1 ZINC000266106579 248100809 /nfs/dbraw/zinc/10/08/09/248100809.db2.gz IYUUZRWGRYMLBF-UHFFFAOYSA-N 1 2 342.399 0.152 20 30 ECEDLO CCOC(=O)[C@H]1C[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC12COC2 ZINC000451134707 211362026 /nfs/dbraw/zinc/36/20/26/211362026.db2.gz LRJIGLQLTIFPOQ-HUUCEWRRSA-N 1 2 343.383 0.596 20 30 ECEDLO CCOC(=O)[C@H]1C[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC12COC2 ZINC000451134707 211362027 /nfs/dbraw/zinc/36/20/27/211362027.db2.gz LRJIGLQLTIFPOQ-HUUCEWRRSA-N 1 2 343.383 0.596 20 30 ECEDLO COCCO[C@H]1C[C@H](CO)C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000447398279 211188434 /nfs/dbraw/zinc/18/84/34/211188434.db2.gz SAZDFGZMWZRFNB-RDJZCZTQSA-N 1 2 347.415 0.843 20 30 ECEDLO COCCO[C@H]1C[C@H](CO)C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000447398279 211188437 /nfs/dbraw/zinc/18/84/37/211188437.db2.gz SAZDFGZMWZRFNB-RDJZCZTQSA-N 1 2 347.415 0.843 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000267433486 251052871 /nfs/dbraw/zinc/05/28/71/251052871.db2.gz FCDGQVZBJXJHSP-RYUDHWBXSA-N 1 2 339.465 0.496 20 30 ECEDLO COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000267582344 251168223 /nfs/dbraw/zinc/16/82/23/251168223.db2.gz GVHFRNKDRWWPIM-OAHLLOKOSA-N 1 2 344.415 0.654 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc(F)cc1C#N ZINC000267694808 251263057 /nfs/dbraw/zinc/26/30/57/251263057.db2.gz YYEAHDONTCILBF-AWEZNQCLSA-N 1 2 336.367 0.854 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000336923733 285002028 /nfs/dbraw/zinc/00/20/28/285002028.db2.gz UZIIFWANKYIOOG-GJZGRUSLSA-N 1 2 346.497 0.659 20 30 ECEDLO C[NH+](C)C1(C#N)CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000274720473 254541449 /nfs/dbraw/zinc/54/14/49/254541449.db2.gz OHJJXDIJZSZJTR-UHFFFAOYSA-N 1 2 349.416 0.465 20 30 ECEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2COCCN2CC)CC1 ZINC000329100430 254597820 /nfs/dbraw/zinc/59/78/20/254597820.db2.gz ZKMQJRYKRPONSM-AWEZNQCLSA-N 1 2 326.441 0.218 20 30 ECEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2COCCN2CC)CC1 ZINC000329100430 254597821 /nfs/dbraw/zinc/59/78/21/254597821.db2.gz ZKMQJRYKRPONSM-AWEZNQCLSA-N 1 2 326.441 0.218 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000425909711 254784916 /nfs/dbraw/zinc/78/49/16/254784916.db2.gz QQJBXSCRHHVXPW-ZFWWWQNUSA-N 1 2 332.404 0.754 20 30 ECEDLO CCCN1C[C@@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)CC1=O ZINC000412124796 254768151 /nfs/dbraw/zinc/76/81/51/254768151.db2.gz IVQQLXNJIMUBKR-HNNXBMFYSA-N 1 2 336.436 0.319 20 30 ECEDLO C#C[C@@H]1COCCN1C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000491761129 254932984 /nfs/dbraw/zinc/93/29/84/254932984.db2.gz UQXZRTWSXZZJHF-GOEBONIOSA-N 1 2 344.415 0.850 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cnc3c(Cl)cccc3c2=O)CC1 ZINC000491780236 254934290 /nfs/dbraw/zinc/93/42/90/254934290.db2.gz LVGWTNBTGBTIBA-UHFFFAOYSA-N 1 2 344.802 0.827 20 30 ECEDLO NC(=NOC[C@@H]1CNC(=O)O1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000495583393 255021489 /nfs/dbraw/zinc/02/14/89/255021489.db2.gz MRUDTWHVTVHICV-AWEZNQCLSA-N 1 2 334.376 0.264 20 30 ECEDLO N#Cc1c2c(cn(C[N@H+]3CC[C@@H](CN4CCOC4=O)C3)c1=O)CCC2 ZINC000495985853 255060583 /nfs/dbraw/zinc/06/05/83/255060583.db2.gz XOXMEFFLCVPSMF-CYBMUJFWSA-N 1 2 342.399 0.940 20 30 ECEDLO N#Cc1c2c(cn(C[N@@H+]3CC[C@@H](CN4CCOC4=O)C3)c1=O)CCC2 ZINC000495985853 255060584 /nfs/dbraw/zinc/06/05/84/255060584.db2.gz XOXMEFFLCVPSMF-CYBMUJFWSA-N 1 2 342.399 0.940 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ncccc2C(F)(F)F)C1 ZINC001077941540 781981231 /nfs/dbraw/zinc/98/12/31/781981231.db2.gz VKYRXVSGKNRORT-VXGBXAGGSA-N 1 2 327.306 0.899 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ncccc2C(F)(F)F)C1 ZINC001077941540 781981243 /nfs/dbraw/zinc/98/12/43/781981243.db2.gz VKYRXVSGKNRORT-VXGBXAGGSA-N 1 2 327.306 0.899 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000298764826 533500020 /nfs/dbraw/zinc/50/00/20/533500020.db2.gz RGIGDTVLRSBZCW-UHFFFAOYSA-N 1 2 345.447 0.727 20 30 ECEDLO Cn1cc(C[NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)cc1C#N ZINC000191539256 165034269 /nfs/dbraw/zinc/03/42/69/165034269.db2.gz CEFILFFMCGYDHH-UHFFFAOYSA-N 1 2 336.461 0.592 20 30 ECEDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ccc(C#N)c(C)n2)CC1 ZINC000174386944 533684446 /nfs/dbraw/zinc/68/44/46/533684446.db2.gz ZEEWKKZQMFONGF-LBPRGKRZSA-N 1 2 330.388 0.971 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cnnc2Nc2cccnc2)CC1 ZINC000491525207 421165430 /nfs/dbraw/zinc/16/54/30/421165430.db2.gz QSZLWCKEVOIRCL-UHFFFAOYSA-N 1 2 325.376 0.194 20 30 ECEDLO N#Cc1ccc2c(c1)N(S(=O)(=O)CCC[NH+]1CCOCC1)CC2 ZINC000274224093 263451018 /nfs/dbraw/zinc/45/10/18/263451018.db2.gz OHFCYLZWRNPYCO-UHFFFAOYSA-N 1 2 335.429 0.973 20 30 ECEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1c[nH+]cn1C ZINC000356804436 267187450 /nfs/dbraw/zinc/18/74/50/267187450.db2.gz YIIQMDLIEKCTKE-NSHDSACASA-N 1 2 347.400 0.275 20 30 ECEDLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1 ZINC000292743900 267191261 /nfs/dbraw/zinc/19/12/61/267191261.db2.gz VSRUBODXLNWPPE-NSHDSACASA-N 1 2 327.381 0.384 20 30 ECEDLO C[C@H]1C[N@H+](CCN2CCN(Cc3ccc(C#N)cc3)C(=O)C2)CCO1 ZINC000374286541 267231305 /nfs/dbraw/zinc/23/13/05/267231305.db2.gz 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N#Cc1cccc(N2CC[NH+]([C@H]3CC(=O)N(C4CC4)C3=O)CC2)n1 ZINC000355111085 268261717 /nfs/dbraw/zinc/26/17/17/268261717.db2.gz DKWMDVMGXLMORA-AWEZNQCLSA-N 1 2 325.372 0.365 20 30 ECEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000357897378 268308536 /nfs/dbraw/zinc/30/85/36/268308536.db2.gz XKAWIAHETAEKPY-JTQLQIEISA-N 1 2 342.446 0.559 20 30 ECEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000357897378 268308539 /nfs/dbraw/zinc/30/85/39/268308539.db2.gz XKAWIAHETAEKPY-JTQLQIEISA-N 1 2 342.446 0.559 20 30 ECEDLO N#Cc1ncn(CCNC(=O)N2CCCN(c3cccc[nH+]3)CC2)n1 ZINC000367863139 268336013 /nfs/dbraw/zinc/33/60/13/268336013.db2.gz AVJIDSMUZJDUAT-UHFFFAOYSA-N 1 2 340.391 0.467 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(C)CC(F)(F)Br)CC1 ZINC000491192846 275717555 /nfs/dbraw/zinc/71/75/55/275717555.db2.gz SOORFOQJDDTCHD-UHFFFAOYSA-N 1 2 338.196 0.683 20 30 ECEDLO C#CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)C1CCCC1 ZINC000491122652 277677193 /nfs/dbraw/zinc/67/71/93/277677193.db2.gz XCUUTQOGYUHUCS-QGZVFWFLSA-N 1 2 349.475 0.864 20 30 ECEDLO CC(C)(CC#N)CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000422491800 278593090 /nfs/dbraw/zinc/59/30/90/278593090.db2.gz UQHIWXWCLOLERQ-CQSZACIVSA-N 1 2 336.436 0.366 20 30 ECEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000343552078 437602521 /nfs/dbraw/zinc/60/25/21/437602521.db2.gz ULBPYFYOUFZJKB-CYBMUJFWSA-N 1 2 344.415 0.734 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCO[C@@]4(CCOC4)C3)C[C@@H]21 ZINC000329605498 290087990 /nfs/dbraw/zinc/08/79/90/290087990.db2.gz MDAYGBBVWFCEQR-CTASWTNQSA-N 1 2 325.409 0.253 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCO[C@@]4(CCOC4)C3)C[C@@H]21 ZINC000329605498 290087995 /nfs/dbraw/zinc/08/79/95/290087995.db2.gz MDAYGBBVWFCEQR-CTASWTNQSA-N 1 2 325.409 0.253 20 30 ECEDLO C[C@H](C[S@](C)=O)NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000330809529 437620675 /nfs/dbraw/zinc/62/06/75/437620675.db2.gz BEBJELYVAUJCQF-OQQHHNTDSA-N 1 2 349.522 0.465 20 30 ECEDLO C[C@H](C[S@](C)=O)NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000330818765 437622353 /nfs/dbraw/zinc/62/23/53/437622353.db2.gz DYYBSSZPHADFER-SPSFWMDKSA-N 1 2 340.449 0.689 20 30 ECEDLO Cc1[nH+]c2cc(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)ccc2n1C ZINC000076282913 436197975 /nfs/dbraw/zinc/19/79/75/436197975.db2.gz XEFLDNFISWBWHM-LBPRGKRZSA-N 1 2 327.344 0.571 20 30 ECEDLO C=CCNC(=O)NC(=O)CN1CC[NH+](Cc2ccccc2OC)CC1 ZINC000076343266 436202078 /nfs/dbraw/zinc/20/20/78/436202078.db2.gz MOAZCNNBDZHPBM-UHFFFAOYSA-N 1 2 346.431 0.825 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000081600662 436353253 /nfs/dbraw/zinc/35/32/53/436353253.db2.gz NZTCSDXYHCHVPL-GFCCVEGCSA-N 1 2 325.363 0.534 20 30 ECEDLO C#CC[N@H+](Cc1ccc(-n2cncn2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092194541 436467458 /nfs/dbraw/zinc/46/74/58/436467458.db2.gz SENBYDDENUQKIW-MRXNPFEDSA-N 1 2 330.413 0.890 20 30 ECEDLO C#CC[N@@H+](Cc1ccc(-n2cncn2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092194541 436467463 /nfs/dbraw/zinc/46/74/63/436467463.db2.gz SENBYDDENUQKIW-MRXNPFEDSA-N 1 2 330.413 0.890 20 30 ECEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 ZINC000091866231 436462150 /nfs/dbraw/zinc/46/21/50/436462150.db2.gz RWDILRWYMDUBAT-TZMCWYRMSA-N 1 2 328.372 0.120 20 30 ECEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 ZINC000091866231 436462154 /nfs/dbraw/zinc/46/21/54/436462154.db2.gz RWDILRWYMDUBAT-TZMCWYRMSA-N 1 2 328.372 0.120 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000109828827 436627669 /nfs/dbraw/zinc/62/76/69/436627669.db2.gz MOBCXKFUGSCGBV-UHFFFAOYSA-N 1 2 331.401 0.788 20 30 ECEDLO CC(C)NC(=O)C(=O)N1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000060466303 436633379 /nfs/dbraw/zinc/63/33/79/436633379.db2.gz OBIJHSRQIANUSW-UHFFFAOYSA-N 1 2 344.415 0.606 20 30 ECEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC000061798355 436638996 /nfs/dbraw/zinc/63/89/96/436638996.db2.gz SXXIBPGPYABSPI-UHFFFAOYSA-N 1 2 334.464 0.427 20 30 ECEDLO C=CCN(CC=C)C(=O)CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000061798355 436638998 /nfs/dbraw/zinc/63/89/98/436638998.db2.gz SXXIBPGPYABSPI-UHFFFAOYSA-N 1 2 334.464 0.427 20 30 ECEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C#N)nc2)CC1 ZINC000115383488 436646948 /nfs/dbraw/zinc/64/69/48/436646948.db2.gz QMXGXLCIHSNTHP-UHFFFAOYSA-N 1 2 343.431 0.970 20 30 ECEDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2ccc(C#N)nc2)CC1 ZINC000115383488 436646949 /nfs/dbraw/zinc/64/69/49/436646949.db2.gz QMXGXLCIHSNTHP-UHFFFAOYSA-N 1 2 343.431 0.970 20 30 ECEDLO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000543910992 302219527 /nfs/dbraw/zinc/21/95/27/302219527.db2.gz JVOHOPRKAMLKEK-UHFFFAOYSA-N 1 2 333.329 0.909 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116887850 436654144 /nfs/dbraw/zinc/65/41/44/436654144.db2.gz GJDIEZNCMARIBV-STQMWFEESA-N 1 2 342.465 0.341 20 30 ECEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116887850 436654147 /nfs/dbraw/zinc/65/41/47/436654147.db2.gz GJDIEZNCMARIBV-STQMWFEESA-N 1 2 342.465 0.341 20 30 ECEDLO C[C@@H]1C[N@@H+](CCN(C)CC(=O)N(CCC#N)CCC#N)C[C@H](C)O1 ZINC000195315772 436688164 /nfs/dbraw/zinc/68/81/64/436688164.db2.gz UFUUWHNVASGOBY-IYBDPMFKSA-N 1 2 335.452 0.683 20 30 ECEDLO C[C@@H]1C[N@H+](CCN(C)CC(=O)N(CCC#N)CCC#N)C[C@H](C)O1 ZINC000195315772 436688167 /nfs/dbraw/zinc/68/81/67/436688167.db2.gz UFUUWHNVASGOBY-IYBDPMFKSA-N 1 2 335.452 0.683 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc3c(c2)C(=O)N(C)CC3)CC1 ZINC000150818544 436691532 /nfs/dbraw/zinc/69/15/32/436691532.db2.gz VPWRJKUYENWLGM-UHFFFAOYSA-N 1 2 340.427 0.504 20 30 ECEDLO C#CCOc1ccc(C[NH+]2CCN(CC(=O)NCCOC)CC2)cc1 ZINC000121263893 436712418 /nfs/dbraw/zinc/71/24/18/436712418.db2.gz NINZPJOLUPJODH-UHFFFAOYSA-N 1 2 345.443 0.579 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2nnc(Cc3ccccc3C)n2)CC1 ZINC000151845676 436713011 /nfs/dbraw/zinc/71/30/11/436713011.db2.gz CLKSBUBNMIVLTF-UHFFFAOYSA-N 1 2 338.415 0.350 20 30 ECEDLO 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437265426 /nfs/dbraw/zinc/26/54/26/437265426.db2.gz INGOXZNNCHYGRK-XJKCOSOUSA-N 1 2 349.435 0.617 20 30 ECEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000328800608 437265429 /nfs/dbraw/zinc/26/54/29/437265429.db2.gz INGOXZNNCHYGRK-XJKCOSOUSA-N 1 2 349.435 0.617 20 30 ECEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)CN2CCOCC2)cn1 ZINC000328626227 437242194 /nfs/dbraw/zinc/24/21/94/437242194.db2.gz DWWUJZRRESPPMF-GJZGRUSLSA-N 1 2 339.415 0.621 20 30 ECEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)CN2CCOCC2)cn1 ZINC000328626227 437242197 /nfs/dbraw/zinc/24/21/97/437242197.db2.gz DWWUJZRRESPPMF-GJZGRUSLSA-N 1 2 339.415 0.621 20 30 ECEDLO C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)O1 ZINC000328638980 437244692 /nfs/dbraw/zinc/24/46/92/437244692.db2.gz BVOQXFHGRPHIQM-KNCOVGOOSA-N 1 2 339.436 0.690 20 30 ECEDLO O=C(NCC[NH+]1CCOCC1)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000328683470 437249930 /nfs/dbraw/zinc/24/99/30/437249930.db2.gz DLYQREOMGRXIQB-GJZGRUSLSA-N 1 2 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/nfs/dbraw/zinc/31/55/44/437315544.db2.gz SQRLCVRPPFRYQL-UHFFFAOYSA-N 1 2 334.380 1.478 20 30 ECEDLO C=CCNC(=O)CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000180254247 437283757 /nfs/dbraw/zinc/28/37/57/437283757.db2.gz GUWVQVVZWOKSLZ-MRXNPFEDSA-N 1 2 346.431 0.661 20 30 ECEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000328949103 437290007 /nfs/dbraw/zinc/29/00/07/437290007.db2.gz KUBWTVDCFDCONY-PBHICJAKSA-N 1 2 349.435 0.635 20 30 ECEDLO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000328949103 437290009 /nfs/dbraw/zinc/29/00/09/437290009.db2.gz KUBWTVDCFDCONY-PBHICJAKSA-N 1 2 349.435 0.635 20 30 ECEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000328949104 437290833 /nfs/dbraw/zinc/29/08/33/437290833.db2.gz KUBWTVDCFDCONY-RHSMWYFYSA-N 1 2 349.435 0.635 20 30 ECEDLO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000328949104 437290837 /nfs/dbraw/zinc/29/08/37/437290837.db2.gz KUBWTVDCFDCONY-RHSMWYFYSA-N 1 2 349.435 0.635 20 30 ECEDLO CN(C(=O)C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C)C1(C#N)CCCCC1 ZINC000328961645 437291937 /nfs/dbraw/zinc/29/19/37/437291937.db2.gz KTVHZSURFKGPHW-KGLIPLIRSA-N 1 2 333.436 0.974 20 30 ECEDLO CN(C(=O)C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C)C1(C#N)CCCCC1 ZINC000328961645 437291942 /nfs/dbraw/zinc/29/19/42/437291942.db2.gz KTVHZSURFKGPHW-KGLIPLIRSA-N 1 2 333.436 0.974 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NCc2ccc3c(c2)OCO3)C1=O ZINC000337229674 437342768 /nfs/dbraw/zinc/34/27/68/437342768.db2.gz SCDZGFQIVYYEBX-AWEZNQCLSA-N 1 2 345.399 0.750 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NCc2ccc3c(c2)OCO3)C1=O ZINC000337229674 437342774 /nfs/dbraw/zinc/34/27/74/437342774.db2.gz SCDZGFQIVYYEBX-AWEZNQCLSA-N 1 2 345.399 0.750 20 30 ECEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NC[C@H]3CCCO3)ccn2)CC1 ZINC000329308559 437349503 /nfs/dbraw/zinc/34/95/03/437349503.db2.gz ZWFNJUQDVKBWAV-CQSZACIVSA-N 1 2 347.419 0.974 20 30 ECEDLO CN1CC[C@H](C(=O)NCC(=O)NCC[NH+]2CCOCC2)CC1=O ZINC000329348482 437354583 /nfs/dbraw/zinc/35/45/83/437354583.db2.gz DOAMHUYCEHPKTP-LBPRGKRZSA-N 1 2 326.397 0.100 20 30 ECEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000337364614 437356676 /nfs/dbraw/zinc/35/66/76/437356676.db2.gz JLIOJFWEZCQMIO-ACJLOTCBSA-N 1 2 347.463 0.080 20 30 ECEDLO C[C@]12CCC(=O)N1[C@H](C(=O)NC[C@@H](O)C[NH+]1CCOCC1)CS2 ZINC000329377436 437359785 /nfs/dbraw/zinc/35/97/85/437359785.db2.gz MAAHRKOLDFQNHL-XUJVJEKNSA-N 1 2 343.449 0.090 20 30 ECEDLO C#Cc1cccc(NC(=O)C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c1 ZINC000288848168 437362646 /nfs/dbraw/zinc/36/26/46/437362646.db2.gz DTYRGNXKDAJJEJ-RHSMWYFYSA-N 1 2 341.411 0.928 20 30 ECEDLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NCC1(O)CCC1 ZINC000329465743 437373099 /nfs/dbraw/zinc/37/30/99/437373099.db2.gz VGWCNIKKKYQPEE-UHFFFAOYSA-N 1 2 334.424 0.017 20 30 ECEDLO Cc1cc(N(CCC#N)C(=O)C[NH+]2C[C@@H](O)[C@H](O)C2)ccc1Cl ZINC000278583101 437323975 /nfs/dbraw/zinc/32/39/75/437323975.db2.gz CWZYACKHXGLGDA-HUUCEWRRSA-N 1 2 337.807 0.933 20 30 ECEDLO COc1cccc(C(N)=[NH+]O[C@@H](C)C(=O)N2CCN(C(C)=O)CC2)c1 ZINC000267417353 437327807 /nfs/dbraw/zinc/32/78/07/437327807.db2.gz LRKNGXZMVLTAKB-LBPRGKRZSA-N 1 2 348.403 0.411 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000337081574 437328840 /nfs/dbraw/zinc/32/88/40/437328840.db2.gz YPGMNLHMJRWPJK-CQSZACIVSA-N 1 2 330.454 0.121 20 30 ECEDLO C=CCN1CC[C@H]([NH+]2CCN(CC(=O)N3CCCC[C@H]3C)CC2)C1=O ZINC000337137440 437334737 /nfs/dbraw/zinc/33/47/37/437334737.db2.gz PLTLKCVYFFSPLL-SJORKVTESA-N 1 2 348.491 0.792 20 30 ECEDLO C=CCN1CC[C@H](N2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)C1=O ZINC000337137440 437334741 /nfs/dbraw/zinc/33/47/41/437334741.db2.gz PLTLKCVYFFSPLL-SJORKVTESA-N 1 2 348.491 0.792 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)C1=O ZINC000337154080 437336486 /nfs/dbraw/zinc/33/64/86/437336486.db2.gz MNJDIIQJQQBAAI-KGLIPLIRSA-N 1 2 327.450 0.273 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)C1=O ZINC000337154080 437336490 /nfs/dbraw/zinc/33/64/90/437336490.db2.gz MNJDIIQJQQBAAI-KGLIPLIRSA-N 1 2 327.450 0.273 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000337164967 437338567 /nfs/dbraw/zinc/33/85/67/437338567.db2.gz YHRAQYSYSKXRAE-KFWWJZLASA-N 1 2 346.497 0.754 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000337164967 437338569 /nfs/dbraw/zinc/33/85/69/437338569.db2.gz YHRAQYSYSKXRAE-KFWWJZLASA-N 1 2 346.497 0.754 20 30 ECEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CCCn2ncnc21 ZINC000329235449 437339607 /nfs/dbraw/zinc/33/96/07/437339607.db2.gz NMQJJGZAVAXAPA-RDBSUJKOSA-N 1 2 334.424 0.822 20 30 ECEDLO O=C(NCC1([NH+]2CCOCC2)CC1)N1CCC(F)(F)[C@@H](CO)C1 ZINC000329786259 437413240 /nfs/dbraw/zinc/41/32/40/437413240.db2.gz XTHMKTQPLJSADM-GFCCVEGCSA-N 1 2 333.379 0.715 20 30 ECEDLO COCc1nc2n(n1)C[C@H](NC([O-])=[NH+][C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000329778767 437413412 /nfs/dbraw/zinc/41/34/12/437413412.db2.gz QLQCSBXRLGCVBZ-VXGBXAGGSA-N 1 2 334.424 0.480 20 30 ECEDLO COCc1nc2n(n1)C[C@H](NC([O-])=[NH+][C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000329778767 437413417 /nfs/dbraw/zinc/41/34/17/437413417.db2.gz QLQCSBXRLGCVBZ-VXGBXAGGSA-N 1 2 334.424 0.480 20 30 ECEDLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCC(c3ccccc3)=N2)C1 ZINC000329812395 437416664 /nfs/dbraw/zinc/41/66/64/437416664.db2.gz CILPTTZBOYHQOX-CQSZACIVSA-N 1 2 329.404 0.831 20 30 ECEDLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCC(c3ccccc3)=N2)C1 ZINC000329812395 437416666 /nfs/dbraw/zinc/41/66/66/437416666.db2.gz CILPTTZBOYHQOX-CQSZACIVSA-N 1 2 329.404 0.831 20 30 ECEDLO NC(=O)N1CC[C@H](NC(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000329880487 437424910 /nfs/dbraw/zinc/42/49/10/437424910.db2.gz NPLVIRXLYCOQOZ-ZDUSSCGKSA-N 1 2 332.408 0.727 20 30 ECEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCO[C@]2(CCO[C@H]2C)C1 ZINC000329901577 437428785 /nfs/dbraw/zinc/42/87/85/437428785.db2.gz HBBONBSINWKKJW-HLLBOEOZSA-N 1 2 340.468 0.416 20 30 ECEDLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)[C@@H](C)C1 ZINC000337747540 437378459 /nfs/dbraw/zinc/37/84/59/437378459.db2.gz DOERAWRRJJMQSV-OLZOCXBDSA-N 1 2 346.453 0.034 20 30 ECEDLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)[C@@H](C)C1 ZINC000337747540 437378461 /nfs/dbraw/zinc/37/84/61/437378461.db2.gz DOERAWRRJJMQSV-OLZOCXBDSA-N 1 2 346.453 0.034 20 30 ECEDLO C[C@@H]1CN(C(=O)NCC[NH+]2CCSCC2)C[C@H](C)S1(=O)=O ZINC000329543011 437381121 /nfs/dbraw/zinc/38/11/21/437381121.db2.gz FBWJKTJPTIEJAK-TXEJJXNPSA-N 1 2 335.495 0.457 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000279263075 437388201 /nfs/dbraw/zinc/38/82/01/437388201.db2.gz IOAVNIQNWOLNQF-AWEZNQCLSA-N 1 2 330.384 0.946 20 30 ECEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@H](C)S1(=O)=O ZINC000329597991 437389338 /nfs/dbraw/zinc/38/93/38/437389338.db2.gz JEHGPGVKQUDYAI-OUAUKWLOSA-N 1 2 326.422 0.688 20 30 ECEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@H](C)S1(=O)=O ZINC000329597991 437389343 /nfs/dbraw/zinc/38/93/43/437389343.db2.gz JEHGPGVKQUDYAI-OUAUKWLOSA-N 1 2 326.422 0.688 20 30 ECEDLO CS(=O)(=O)N1CCC(C[NH+]=C([O-])N2CCn3c[nH+]cc3C2)CC1 ZINC000329615998 437391718 /nfs/dbraw/zinc/39/17/18/437391718.db2.gz PQOOTRJYCVEPCJ-UHFFFAOYSA-N 1 2 341.437 0.284 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1nc2ccccn2n1 ZINC000184367229 437401259 /nfs/dbraw/zinc/40/12/59/437401259.db2.gz IBMLJJDNTVEPEZ-UHFFFAOYSA-N 1 2 343.391 0.809 20 30 ECEDLO O=C(NC[C@H]1CCCS(=O)(=O)C1)N1CC[NH+](CC2CC2)CC1 ZINC000329689622 437402329 /nfs/dbraw/zinc/40/23/29/437402329.db2.gz BHJYFKQAPLDCPO-CQSZACIVSA-N 1 2 329.466 0.753 20 30 ECEDLO C[N@@H+]1CCO[C@H](CNC(=O)NC2CCN(c3cccnn3)CC2)C1 ZINC000330264207 437476603 /nfs/dbraw/zinc/47/66/03/437476603.db2.gz XPWYBCIIXRHPNV-CQSZACIVSA-N 1 2 334.424 0.280 20 30 ECEDLO C[N@H+]1CCO[C@H](CNC(=O)NC2CCN(c3cccnn3)CC2)C1 ZINC000330264207 437476606 /nfs/dbraw/zinc/47/66/06/437476606.db2.gz XPWYBCIIXRHPNV-CQSZACIVSA-N 1 2 334.424 0.280 20 30 ECEDLO C[C@@H]1CCS(=O)(=O)CCN1C(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329970414 437440172 /nfs/dbraw/zinc/44/01/72/437440172.db2.gz XEMYOFLBNPMGNL-CHWSQXEVSA-N 1 2 340.449 0.869 20 30 ECEDLO COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)CC#N)CC2)cc1 ZINC000185723992 437449995 /nfs/dbraw/zinc/44/99/95/437449995.db2.gz JYHFAVUJFOZIGH-UHFFFAOYSA-N 1 2 330.388 0.483 20 30 ECEDLO CCN1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330377029 437495494 /nfs/dbraw/zinc/49/54/94/437495494.db2.gz DXZDEOFVSURRKP-CHWSQXEVSA-N 1 2 340.453 0.425 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000330425576 437506973 /nfs/dbraw/zinc/50/69/73/437506973.db2.gz VIPKTYDLSUQKNE-MGPQQGTHSA-N 1 2 346.497 0.943 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](O)C2CCCCC2)CC1 ZINC000187788629 437514540 /nfs/dbraw/zinc/51/45/40/437514540.db2.gz IIMMLSASMQRJHV-QGZVFWFLSA-N 1 2 335.448 0.211 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](O)C2CCCCC2)CC1 ZINC000187788629 437514546 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C=C(C)C[N@@H+](CC(=O)N1CCNC(=O)C1)Cc1cnn(C(C)C)c1 ZINC000352899797 438489961 /nfs/dbraw/zinc/48/99/61/438489961.db2.gz FIYONIUVPXSICF-UHFFFAOYSA-N 1 2 333.436 0.801 20 30 ECEDLO N#Cc1ccc(CN2CC[NH+](CCS(N)(=O)=O)CC2)c(Cl)c1 ZINC000439444748 438513605 /nfs/dbraw/zinc/51/36/05/438513605.db2.gz CCQYVSCVDUJONM-UHFFFAOYSA-N 1 2 342.852 0.618 20 30 ECEDLO C[C@H](C#N)CN(C)S(=O)(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000369946251 438533572 /nfs/dbraw/zinc/53/35/72/438533572.db2.gz AIFKXQHYBLJONP-GFCCVEGCSA-N 1 2 325.438 0.987 20 30 ECEDLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCC(C)(C)CC#N)CC1 ZINC000422488809 438579353 /nfs/dbraw/zinc/57/93/53/438579353.db2.gz OELRPBBRZRDCKX-UHFFFAOYSA-N 1 2 338.452 0.612 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000451980666 438622058 /nfs/dbraw/zinc/62/20/58/438622058.db2.gz AATLJYHQMCLELV-RYUDHWBXSA-N 1 2 325.413 0.122 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000451980666 438622062 /nfs/dbraw/zinc/62/20/62/438622062.db2.gz AATLJYHQMCLELV-RYUDHWBXSA-N 1 2 325.413 0.122 20 30 ECEDLO CN(C)C(=O)N[C@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000451982296 438622426 /nfs/dbraw/zinc/62/24/26/438622426.db2.gz BRVXNWDEOMKKRW-INIZCTEOSA-N 1 2 343.431 0.910 20 30 ECEDLO CN(C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000451982296 438622429 /nfs/dbraw/zinc/62/24/29/438622429.db2.gz BRVXNWDEOMKKRW-INIZCTEOSA-N 1 2 343.431 0.910 20 30 ECEDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(C#N)c(O)c2)C[C@H]1C ZINC000442802575 438626662 /nfs/dbraw/zinc/62/66/62/438626662.db2.gz RQQRLOUUFSMXPH-GFCCVEGCSA-N 1 2 331.372 0.973 20 30 ECEDLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(C#N)c(O)c2)C[C@H]1C ZINC000442802575 438626663 /nfs/dbraw/zinc/62/66/63/438626663.db2.gz RQQRLOUUFSMXPH-GFCCVEGCSA-N 1 2 331.372 0.973 20 30 ECEDLO CO[C@@H]1COCC[C@@H]1CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000448838372 438685482 /nfs/dbraw/zinc/68/54/82/438685482.db2.gz XYQUATGLPFSQBZ-HZPDHXFCSA-N 1 2 339.436 0.502 20 30 ECEDLO C[C@H]1C[C@@]1(C#N)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000448836908 438686743 /nfs/dbraw/zinc/68/67/43/438686743.db2.gz RDQZFDMQHWDSNH-KSSFIOAISA-N 1 2 341.415 0.786 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](Oc2cccnc2N(C)C)C1 ZINC000451026200 438695283 /nfs/dbraw/zinc/69/52/83/438695283.db2.gz LCRQUJYFOIKYRN-ZDUSSCGKSA-N 1 2 347.419 0.613 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](Oc2cccnc2N(C)C)C1 ZINC000451026200 438695285 /nfs/dbraw/zinc/69/52/85/438695285.db2.gz LCRQUJYFOIKYRN-ZDUSSCGKSA-N 1 2 347.419 0.613 20 30 ECEDLO CO[C@@H]1CC[N@H+](CC(=O)NCC#N)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000495223400 438725276 /nfs/dbraw/zinc/72/52/76/438725276.db2.gz UCBLEAJCVDHHQV-QWHCGFSZSA-N 1 2 340.424 0.630 20 30 ECEDLO CO[C@@H]1CC[N@@H+](CC(=O)NCC#N)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000495223400 438725278 /nfs/dbraw/zinc/72/52/78/438725278.db2.gz UCBLEAJCVDHHQV-QWHCGFSZSA-N 1 2 340.424 0.630 20 30 ECEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CNc1ccc(C#N)cn1 ZINC000557582656 438803367 /nfs/dbraw/zinc/80/33/67/438803367.db2.gz UCHQWVLAGWPCJG-ZFWWWQNUSA-N 1 2 329.404 0.687 20 30 ECEDLO CC[NH+]1CCN(CCNC(=O)c2cc(C#N)c(SC)[nH]c2=O)CC1 ZINC000588724175 438838358 /nfs/dbraw/zinc/83/83/58/438838358.db2.gz UTGPNERPYJDLCH-UHFFFAOYSA-N 1 2 349.460 0.748 20 30 ECEDLO COc1cccc(C(=O)N(C)C)c1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000563890636 438869710 /nfs/dbraw/zinc/86/97/10/438869710.db2.gz IXYUBDQOOITOPZ-ZDUSSCGKSA-N 1 2 335.404 0.982 20 30 ECEDLO COc1cccc(C(=O)N(C)C)c1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000563890636 438869716 /nfs/dbraw/zinc/86/97/16/438869716.db2.gz IXYUBDQOOITOPZ-ZDUSSCGKSA-N 1 2 335.404 0.982 20 30 ECEDLO CC(C)n1ncnc1Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000515672839 438877828 /nfs/dbraw/zinc/87/78/28/438877828.db2.gz JWVLIQOTBZLALW-UHFFFAOYSA-N 1 2 342.403 0.773 20 30 ECEDLO COc1cccnc1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000564859029 438878257 /nfs/dbraw/zinc/87/82/57/438878257.db2.gz BRCVEYCCEXCOFV-UHFFFAOYSA-N 1 2 332.385 0.920 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000589902019 438888743 /nfs/dbraw/zinc/88/87/43/438888743.db2.gz NIDMYVAXGXJUAL-YGRLFVJLSA-N 1 2 327.381 0.695 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000589902019 438888745 /nfs/dbraw/zinc/88/87/45/438888745.db2.gz NIDMYVAXGXJUAL-YGRLFVJLSA-N 1 2 327.381 0.695 20 30 ECEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000601424922 438889026 /nfs/dbraw/zinc/88/90/26/438889026.db2.gz RIZSPWUOSLRBDJ-LSDHHAIUSA-N 1 2 344.481 0.509 20 30 ECEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3c(C#N)cnn3C)CC2)C1 ZINC000596060991 438920120 /nfs/dbraw/zinc/92/01/20/438920120.db2.gz MGYGEFIAKFVMHJ-GASCZTMLSA-N 1 2 344.463 0.918 20 30 ECEDLO COC(=O)C1(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)CC1 ZINC000596287065 438950796 /nfs/dbraw/zinc/95/07/96/438950796.db2.gz SBJQOVYPPARNOY-UHFFFAOYSA-N 1 2 331.372 0.505 20 30 ECEDLO C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000590816378 438961935 /nfs/dbraw/zinc/96/19/35/438961935.db2.gz QNBXFDYVVQTSMX-LBPRGKRZSA-N 1 2 345.359 0.023 20 30 ECEDLO N#Cc1ccc(NC[C@@]2(CO)COCC[N@@H+]2Cc2ccccc2)nn1 ZINC000596514259 438971316 /nfs/dbraw/zinc/97/13/16/438971316.db2.gz DSAGFRUTBHRHIX-GOSISDBHSA-N 1 2 339.399 1.024 20 30 ECEDLO N#Cc1ccc(NC[C@@]2(CO)COCC[N@H+]2Cc2ccccc2)nn1 ZINC000596514259 438971321 /nfs/dbraw/zinc/97/13/21/438971321.db2.gz DSAGFRUTBHRHIX-GOSISDBHSA-N 1 2 339.399 1.024 20 30 ECEDLO COc1cccc(C(F)(F)CNC[C@H](O)C[N@H+](C)CCC#N)n1 ZINC000578999699 438971986 /nfs/dbraw/zinc/97/19/86/438971986.db2.gz RMCAJPHZWOOYRP-LBPRGKRZSA-N 1 2 328.363 0.978 20 30 ECEDLO COc1cccc(C(F)(F)CNC[C@H](O)C[N@@H+](C)CCC#N)n1 ZINC000578999699 438971990 /nfs/dbraw/zinc/97/19/90/438971990.db2.gz RMCAJPHZWOOYRP-LBPRGKRZSA-N 1 2 328.363 0.978 20 30 ECEDLO CN1C[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)NC1=O ZINC000596656099 438984645 /nfs/dbraw/zinc/98/46/45/438984645.db2.gz DAUJSIKLQMIPLR-HNNXBMFYSA-N 1 2 327.388 0.226 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000579140588 438986587 /nfs/dbraw/zinc/98/65/87/438986587.db2.gz IWVUUSJYRMBLAR-SNVBAGLBSA-N 1 2 349.438 0.105 20 30 ECEDLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)CC1 ZINC000602030308 438999821 /nfs/dbraw/zinc/99/98/21/438999821.db2.gz LOUFOODBWZCWKA-NSHDSACASA-N 1 2 334.351 0.161 20 30 ECEDLO CC[C@H](C)[C@@H](NC(=O)[C@@H](C)CC#N)C(=O)NCC[NH+]1CCOCC1 ZINC000597207965 439057092 /nfs/dbraw/zinc/05/70/92/439057092.db2.gz IHWUKRMCTMNOJF-SOUVJXGZSA-N 1 2 338.452 0.515 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)COc1ccc(CO)cc1 ZINC000597020963 439029550 /nfs/dbraw/zinc/02/95/50/439029550.db2.gz KUHAMFYXYOQRLX-UHFFFAOYSA-N 1 2 347.415 0.632 20 30 ECEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000602910363 439157366 /nfs/dbraw/zinc/15/73/66/439157366.db2.gz XLBDTVARGXSCTL-HOTGVXAUSA-N 1 2 343.387 0.290 20 30 ECEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000602910363 439157371 /nfs/dbraw/zinc/15/73/71/439157371.db2.gz XLBDTVARGXSCTL-HOTGVXAUSA-N 1 2 343.387 0.290 20 30 ECEDLO C[N@H+](CC(=O)N1CCN(c2cnccn2)CC1)[C@H]1CCC[C@@H]1C#N ZINC000602979929 439175491 /nfs/dbraw/zinc/17/54/91/439175491.db2.gz JFOFKDMIWUSBRE-CABCVRRESA-N 1 2 328.420 0.749 20 30 ECEDLO C[N@@H+](CC(=O)N1CCN(c2cnccn2)CC1)[C@H]1CCC[C@@H]1C#N ZINC000602979929 439175493 /nfs/dbraw/zinc/17/54/93/439175493.db2.gz JFOFKDMIWUSBRE-CABCVRRESA-N 1 2 328.420 0.749 20 30 ECEDLO Cc1ccc(C(=O)N(C)Cc2c[nH+]c[nH]2)cc1S(=O)(=O)NCC#N ZINC000597860608 439195842 /nfs/dbraw/zinc/19/58/42/439195842.db2.gz AIARBGZKBGOQFV-UHFFFAOYSA-N 1 2 347.400 0.792 20 30 ECEDLO Cc1ccc(C(=O)N(C)Cc2c[nH]c[nH+]2)cc1S(=O)(=O)NCC#N ZINC000597860608 439195845 /nfs/dbraw/zinc/19/58/45/439195845.db2.gz AIARBGZKBGOQFV-UHFFFAOYSA-N 1 2 347.400 0.792 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)Cn1cc(C[NH+]2CCSCC2)nn1 ZINC000603209010 439210241 /nfs/dbraw/zinc/21/02/41/439210241.db2.gz MNFCETRGPHNOPA-CYBMUJFWSA-N 1 2 336.465 0.835 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCCN(CCC(=O)OC)C2=O)nn1 ZINC000603239857 439215662 /nfs/dbraw/zinc/21/56/62/439215662.db2.gz UORRXYTUGAIDON-AWEZNQCLSA-N 1 2 333.392 0.118 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)CCO1 ZINC000568334541 439239410 /nfs/dbraw/zinc/23/94/10/439239410.db2.gz BLJIOLZDJGGVPL-LLVKDONJSA-N 1 2 334.351 0.473 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)CCO1 ZINC000568334541 439239413 /nfs/dbraw/zinc/23/94/13/439239413.db2.gz BLJIOLZDJGGVPL-LLVKDONJSA-N 1 2 334.351 0.473 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000581978894 439273414 /nfs/dbraw/zinc/27/34/14/439273414.db2.gz DMVBHBBWAUSQMT-KRWDZBQOSA-N 1 2 335.452 0.874 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cc3c(cc2F)NC(=O)CC3)CC1 ZINC000491023185 439323583 /nfs/dbraw/zinc/32/35/83/439323583.db2.gz VWTYUGHRPMLCFC-UHFFFAOYSA-N 1 2 344.390 0.900 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC)CC1 ZINC000490715630 439289255 /nfs/dbraw/zinc/28/92/55/439289255.db2.gz YDFNBVNQCLSSEM-ZOBUZTSGSA-N 1 2 333.432 0.037 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC)CC1 ZINC000490715630 439289261 /nfs/dbraw/zinc/28/92/61/439289261.db2.gz YDFNBVNQCLSSEM-ZOBUZTSGSA-N 1 2 333.432 0.037 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(=O)OC)CC1 ZINC000490715627 439289607 /nfs/dbraw/zinc/28/96/07/439289607.db2.gz YDFNBVNQCLSSEM-UXLLHSPISA-N 1 2 333.432 0.037 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(=O)OC)CC1 ZINC000490715627 439289610 /nfs/dbraw/zinc/28/96/10/439289610.db2.gz YDFNBVNQCLSSEM-UXLLHSPISA-N 1 2 333.432 0.037 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCCc3c(C(N)=O)cccc32)CC1 ZINC000490840111 439302547 /nfs/dbraw/zinc/30/25/47/439302547.db2.gz LRNRLRNLYOXNSG-UHFFFAOYSA-N 1 2 340.427 0.316 20 30 ECEDLO C#CCn1ccc(CN(CCOC)c2nc3c(cnn3C)c(N)[nH+]2)n1 ZINC000491288046 439362804 /nfs/dbraw/zinc/36/28/04/439362804.db2.gz PMZBFWUCCRYDFM-UHFFFAOYSA-N 1 2 340.391 0.428 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(COCC)n2C[C@@H]2CCOC2)CC1 ZINC000491166630 439343293 /nfs/dbraw/zinc/34/32/93/439343293.db2.gz SZRZHEGSZZWTDH-HNNXBMFYSA-N 1 2 333.436 0.606 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(-c3nnn(C)c3C)n2CC(=C)C)CC1 ZINC000491255113 439358449 /nfs/dbraw/zinc/35/84/49/439358449.db2.gz VWACXAHDMYEWNW-UHFFFAOYSA-N 1 2 340.435 0.713 20 30 ECEDLO CS(=O)(=O)CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593356282 439370996 /nfs/dbraw/zinc/37/09/96/439370996.db2.gz VZYUBKVRXJRJFU-UHFFFAOYSA-N 1 2 335.429 0.683 20 30 ECEDLO C#CCN1C(=O)C[C@H]([N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)C1=O ZINC000491542818 439404063 /nfs/dbraw/zinc/40/40/63/439404063.db2.gz CHTGZLRKFSUEJO-IFXJQAMLSA-N 1 2 338.363 0.857 20 30 ECEDLO C#CCN1C(=O)C[C@H]([N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)C1=O ZINC000491542818 439404067 /nfs/dbraw/zinc/40/40/67/439404067.db2.gz CHTGZLRKFSUEJO-IFXJQAMLSA-N 1 2 338.363 0.857 20 30 ECEDLO C#CC[N@@H+](CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)C1CC1 ZINC000491671988 439423144 /nfs/dbraw/zinc/42/31/44/439423144.db2.gz RFQLFMGFWUJOFQ-UHFFFAOYSA-N 1 2 335.429 0.973 20 30 ECEDLO C#CC[N@H+](CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)C1CC1 ZINC000491671988 439423151 /nfs/dbraw/zinc/42/31/51/439423151.db2.gz RFQLFMGFWUJOFQ-UHFFFAOYSA-N 1 2 335.429 0.973 20 30 ECEDLO COC(=O)C[C@H]1C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)CCO1 ZINC000599306049 439426248 /nfs/dbraw/zinc/42/62/48/439426248.db2.gz CZWRWSSPRBEFJO-KGLIPLIRSA-N 1 2 326.393 0.322 20 30 ECEDLO COC(=O)C[C@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)CCO1 ZINC000599306049 439426254 /nfs/dbraw/zinc/42/62/54/439426254.db2.gz CZWRWSSPRBEFJO-KGLIPLIRSA-N 1 2 326.393 0.322 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000491703851 439430746 /nfs/dbraw/zinc/43/07/46/439430746.db2.gz ZUVDZIAIPFXYHS-UHFFFAOYSA-N 1 2 346.387 0.470 20 30 ECEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCc1ccc(CC#N)cc1 ZINC000570631200 439435994 /nfs/dbraw/zinc/43/59/94/439435994.db2.gz ILBGCMOCOSRKSS-CQSZACIVSA-N 1 2 344.415 0.206 20 30 ECEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)NCc1ccc(CC#N)cc1 ZINC000570631200 439435999 /nfs/dbraw/zinc/43/59/99/439435999.db2.gz ILBGCMOCOSRKSS-CQSZACIVSA-N 1 2 344.415 0.206 20 30 ECEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C#N)c(O)c2)C1 ZINC000570780066 439448111 /nfs/dbraw/zinc/44/81/11/439448111.db2.gz DZKQSYPZZWIPKR-LBPRGKRZSA-N 1 2 331.372 0.879 20 30 ECEDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C#N)c(O)c2)C1 ZINC000570780066 439448118 /nfs/dbraw/zinc/44/81/18/439448118.db2.gz DZKQSYPZZWIPKR-LBPRGKRZSA-N 1 2 331.372 0.879 20 30 ECEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)C(=O)N(Cc2ccc(OC)cc2)C1=O ZINC000491792017 439451942 /nfs/dbraw/zinc/45/19/42/439451942.db2.gz CYKRTBZAUACYKS-GFCCVEGCSA-N 1 2 329.356 0.897 20 30 ECEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)C(=O)N(Cc2ccc(OC)cc2)C1=O ZINC000491792017 439451946 /nfs/dbraw/zinc/45/19/46/439451946.db2.gz CYKRTBZAUACYKS-GFCCVEGCSA-N 1 2 329.356 0.897 20 30 ECEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C(=O)N(Cc2ccc(OC)cc2)C1=O ZINC000491792019 439452004 /nfs/dbraw/zinc/45/20/04/439452004.db2.gz CYKRTBZAUACYKS-LBPRGKRZSA-N 1 2 329.356 0.897 20 30 ECEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C(=O)N(Cc2ccc(OC)cc2)C1=O ZINC000491792019 439452007 /nfs/dbraw/zinc/45/20/07/439452007.db2.gz CYKRTBZAUACYKS-LBPRGKRZSA-N 1 2 329.356 0.897 20 30 ECEDLO N#Cc1cc(N2CC[NH+](CC(=O)NC3CCCCC3)CC2)ncn1 ZINC000583543023 439478791 /nfs/dbraw/zinc/47/87/91/439478791.db2.gz MNNAHETVKKENNN-UHFFFAOYSA-N 1 2 328.420 0.919 20 30 ECEDLO COCCOCC[NH+]1CCN(C(=O)COc2ccc(C#N)cc2)CC1 ZINC000593886645 439487830 /nfs/dbraw/zinc/48/78/30/439487830.db2.gz MBTHZVJQFUZGDN-UHFFFAOYSA-N 1 2 347.415 0.744 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Nc1cccc(C#N)n1 ZINC000599798689 439561133 /nfs/dbraw/zinc/56/11/33/439561133.db2.gz KELIHTDAYBLZDL-QGZVFWFLSA-N 1 2 345.403 0.691 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Nc1cccc(C#N)n1 ZINC000599798689 439561139 /nfs/dbraw/zinc/56/11/39/439561139.db2.gz KELIHTDAYBLZDL-QGZVFWFLSA-N 1 2 345.403 0.691 20 30 ECEDLO CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCN([C@@H](C#N)C(C)C)CC2)CC1 ZINC000609485080 439570924 /nfs/dbraw/zinc/57/09/24/439570924.db2.gz IMLSAHYRYVIBCN-WBVHZDCISA-N 1 2 349.479 0.231 20 30 ECEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000609484541 439571630 /nfs/dbraw/zinc/57/16/30/439571630.db2.gz CUYCLVACAGOLBV-INIZCTEOSA-N 1 2 330.436 0.808 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)COC[C@@H]1CCCO1 ZINC000609588935 439579121 /nfs/dbraw/zinc/57/91/21/439579121.db2.gz KTMXPNJCBDFPSV-HNNXBMFYSA-N 1 2 325.409 0.256 20 30 ECEDLO COCCNC(=O)C1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000609671891 439582537 /nfs/dbraw/zinc/58/25/37/439582537.db2.gz ZDFYVWKYSYPXJP-INIZCTEOSA-N 1 2 344.415 0.559 20 30 ECEDLO CCC(C)(C)NC(=O)Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000584362078 439582942 /nfs/dbraw/zinc/58/29/42/439582942.db2.gz MPZOJQLPGRFHQS-UHFFFAOYSA-N 1 2 346.431 0.857 20 30 ECEDLO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 ZINC000492928207 439590301 /nfs/dbraw/zinc/59/03/01/439590301.db2.gz DMWXNLSKAQCAGZ-QWHCGFSZSA-N 1 2 338.408 0.288 20 30 ECEDLO C[N@H+]1CCO[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 ZINC000492928207 439590306 /nfs/dbraw/zinc/59/03/06/439590306.db2.gz DMWXNLSKAQCAGZ-QWHCGFSZSA-N 1 2 338.408 0.288 20 30 ECEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+](CC2(O)CCC2)CC1 ZINC000610705944 439641139 /nfs/dbraw/zinc/64/11/39/439641139.db2.gz NTOGGRZHRQIFBA-UHFFFAOYSA-N 1 2 335.429 0.780 20 30 ECEDLO Cn1nc2c(c1C(=O)N(CCC#N)CC[NH+]1CCOCC1)CCCC2 ZINC000610804694 439647509 /nfs/dbraw/zinc/64/75/09/439647509.db2.gz RVJOOKLLIQQHMP-UHFFFAOYSA-N 1 2 345.447 0.987 20 30 ECEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000600422636 439656351 /nfs/dbraw/zinc/65/63/51/439656351.db2.gz WMQAPMZKZQWNPT-OAHLLOKOSA-N 1 2 325.372 0.804 20 30 ECEDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000600422636 439656354 /nfs/dbraw/zinc/65/63/54/439656354.db2.gz WMQAPMZKZQWNPT-OAHLLOKOSA-N 1 2 325.372 0.804 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)[C@@H](C)CO1 ZINC000595126795 439658411 /nfs/dbraw/zinc/65/84/11/439658411.db2.gz VFISRPHFLQYUGA-NWDGAFQWSA-N 1 2 348.378 0.861 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)[C@@H](C)CO1 ZINC000595126795 439658416 /nfs/dbraw/zinc/65/84/16/439658416.db2.gz VFISRPHFLQYUGA-NWDGAFQWSA-N 1 2 348.378 0.861 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cccc(CC#N)c2)[C@H](C)CO1 ZINC000595126840 439658439 /nfs/dbraw/zinc/65/84/39/439658439.db2.gz VZDLZAPYOKAXFY-ZIAGYGMSSA-N 1 2 344.415 0.917 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cccc(CC#N)c2)[C@H](C)CO1 ZINC000595126840 439658442 /nfs/dbraw/zinc/65/84/42/439658442.db2.gz VZDLZAPYOKAXFY-ZIAGYGMSSA-N 1 2 344.415 0.917 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000611540553 439705404 /nfs/dbraw/zinc/70/54/04/439705404.db2.gz AVFTUSZRLCLXNQ-HZPDHXFCSA-N 1 2 335.429 0.778 20 30 ECEDLO C[C@@H]1CN(CC[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)C[C@H](C)O1 ZINC000595338464 439707386 /nfs/dbraw/zinc/70/73/86/439707386.db2.gz ILPDXHJCGHBTEG-OAGGEKHMSA-N 1 2 344.463 0.968 20 30 ECEDLO C[C@@H]1CN(CC[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)C[C@H](C)O1 ZINC000595338464 439707390 /nfs/dbraw/zinc/70/73/90/439707390.db2.gz ILPDXHJCGHBTEG-OAGGEKHMSA-N 1 2 344.463 0.968 20 30 ECEDLO C[N@H+](CCc1ccc(C#N)cc1)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000595354783 439712547 /nfs/dbraw/zinc/71/25/47/439712547.db2.gz FNWIDRFGKXLGJP-HNNXBMFYSA-N 1 2 335.429 0.336 20 30 ECEDLO C[N@@H+](CCc1ccc(C#N)cc1)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000595354783 439712551 /nfs/dbraw/zinc/71/25/51/439712551.db2.gz FNWIDRFGKXLGJP-HNNXBMFYSA-N 1 2 335.429 0.336 20 30 ECEDLO N#CCCN1CC[NH+](CC(=O)NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000611173617 439677380 /nfs/dbraw/zinc/67/73/80/439677380.db2.gz CZRJBASFWAYTSK-INIZCTEOSA-N 1 2 328.416 0.638 20 30 ECEDLO CNC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCN(CCC#N)CC2)c1 ZINC000611174444 439677432 /nfs/dbraw/zinc/67/74/32/439677432.db2.gz IWFFSQLOOWNIOK-AWEZNQCLSA-N 1 2 343.431 0.904 20 30 ECEDLO N#CCCN1CC[NH+](CC(=O)NCCOc2ccc(F)cc2)CC1 ZINC000611175069 439677735 /nfs/dbraw/zinc/67/77/35/439677735.db2.gz SBDWNGAWGBYJBX-UHFFFAOYSA-N 1 2 334.395 0.852 20 30 ECEDLO CC(C)(C)n1nnc(C[NH2+]C[C@H](O)COc2ccccc2C#N)n1 ZINC000600746246 439697209 /nfs/dbraw/zinc/69/72/09/439697209.db2.gz IMKAVSYPJQDIGR-ZDUSSCGKSA-N 1 2 330.392 0.829 20 30 ECEDLO CCOC(=O)[C@](C)(O)C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000613856907 439765064 /nfs/dbraw/zinc/76/50/64/439765064.db2.gz ASSOLBQHJCKSST-QGZVFWFLSA-N 1 2 348.403 0.860 20 30 ECEDLO CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(C#N)cc1C ZINC000614396113 439775653 /nfs/dbraw/zinc/77/56/53/439775653.db2.gz WGZHHGFNVNYFAB-MRXNPFEDSA-N 1 2 349.456 0.992 20 30 ECEDLO CC[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(C#N)cc1C ZINC000614396113 439775654 /nfs/dbraw/zinc/77/56/54/439775654.db2.gz WGZHHGFNVNYFAB-MRXNPFEDSA-N 1 2 349.456 0.992 20 30 ECEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000614854125 439788906 /nfs/dbraw/zinc/78/89/06/439788906.db2.gz SGHGHYUCQZERGM-UHFFFAOYSA-N 1 2 337.445 0.944 20 30 ECEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000614854125 439788907 /nfs/dbraw/zinc/78/89/07/439788907.db2.gz SGHGHYUCQZERGM-UHFFFAOYSA-N 1 2 337.445 0.944 20 30 ECEDLO CC1(C)CN(S(=O)(=O)c2ccc(C#N)cc2F)CC[N@@H+]1CCO ZINC000614854088 439789033 /nfs/dbraw/zinc/78/90/33/439789033.db2.gz ORZBDZFKLVAXSM-UHFFFAOYSA-N 1 2 341.408 0.775 20 30 ECEDLO CC1(C)CN(S(=O)(=O)c2ccc(C#N)cc2F)CC[N@H+]1CCO ZINC000614854088 439789034 /nfs/dbraw/zinc/78/90/34/439789034.db2.gz ORZBDZFKLVAXSM-UHFFFAOYSA-N 1 2 341.408 0.775 20 30 ECEDLO COCCN(CCC#N)C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000615255016 439796861 /nfs/dbraw/zinc/79/68/61/439796861.db2.gz WQTODDVWRMBUPV-UHFFFAOYSA-N 1 2 329.360 0.970 20 30 ECEDLO N#C[C@@]1(F)CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000615538028 439801844 /nfs/dbraw/zinc/80/18/44/439801844.db2.gz JXGQDWARFMYBFE-HNNXBMFYSA-N 1 2 336.371 0.685 20 30 ECEDLO C[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)[C@H]1C[N@H+](C)CCO1 ZINC000616425564 439817540 /nfs/dbraw/zinc/81/75/40/439817540.db2.gz SCARDCPWARIACN-IAQYHMDHSA-N 1 2 341.408 0.836 20 30 ECEDLO C[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000616425564 439817541 /nfs/dbraw/zinc/81/75/41/439817541.db2.gz SCARDCPWARIACN-IAQYHMDHSA-N 1 2 341.408 0.836 20 30 ECEDLO C=CCOCCCNC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000658688353 440068146 /nfs/dbraw/zinc/06/81/46/440068146.db2.gz MDYSAVYHKBOOCU-UHFFFAOYSA-N 1 2 341.452 0.265 20 30 ECEDLO C=CCOCCCNC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000658688353 440068153 /nfs/dbraw/zinc/06/81/53/440068153.db2.gz MDYSAVYHKBOOCU-UHFFFAOYSA-N 1 2 341.452 0.265 20 30 ECEDLO C=CCCn1cc(CN2CC[NH+](CC(=O)NCCCC)CC2)nn1 ZINC000653479995 440191751 /nfs/dbraw/zinc/19/17/51/440191751.db2.gz MKXUWTUOYKIVAK-UHFFFAOYSA-N 1 2 334.468 0.888 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000666268778 440608818 /nfs/dbraw/zinc/60/88/18/440608818.db2.gz PPKAGCQKIUZYKR-OAHLLOKOSA-N 1 2 338.452 0.128 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000666268778 440608822 /nfs/dbraw/zinc/60/88/22/440608822.db2.gz PPKAGCQKIUZYKR-OAHLLOKOSA-N 1 2 338.452 0.128 20 30 ECEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3ccc(OCC)nn3)CC2)C1=O ZINC000662251434 440994997 /nfs/dbraw/zinc/99/49/97/440994997.db2.gz CCAQOWIVFZSALF-CQSZACIVSA-N 1 2 331.420 0.784 20 30 ECEDLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)Nc1nc2c(s1)COCC2 ZINC000329110602 546014573 /nfs/dbraw/zinc/01/45/73/546014573.db2.gz QKJFIGVUYRJUNC-SNVBAGLBSA-N 1 2 342.421 0.235 20 30 ECEDLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000330044284 546038024 /nfs/dbraw/zinc/03/80/24/546038024.db2.gz FRJYLEBBXYJNJQ-OWCLPIDISA-N 1 2 335.404 0.809 20 30 ECEDLO Cc1nnc([C@@H]2CCCN(C(=O)NC[C@H](C)[NH+]3CCOCC3)C2)[nH]1 ZINC000330092143 546039324 /nfs/dbraw/zinc/03/93/24/546039324.db2.gz YIYUZDNQSYKWLR-GXTWGEPZSA-N 1 2 336.440 0.927 20 30 ECEDLO C=CCCOCC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000623100431 546730866 /nfs/dbraw/zinc/73/08/66/546730866.db2.gz MJDBCHMRHHADPE-UHFFFAOYSA-N 1 2 346.431 0.829 20 30 ECEDLO C=CCN(CCOC)C(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000672764403 548386884 /nfs/dbraw/zinc/38/68/84/548386884.db2.gz UDUAPFGGRULDNN-UHFFFAOYSA-N 1 2 344.415 0.962 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000680939472 549208914 /nfs/dbraw/zinc/20/89/14/549208914.db2.gz VYNRYGBAXQPMRU-OAHLLOKOSA-N 1 2 331.416 0.746 20 30 ECEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)N(CC#N)c2ccccc2)C1 ZINC000748457834 579324910 /nfs/dbraw/zinc/32/49/10/579324910.db2.gz LXDYBVHCNXFWNO-OAHLLOKOSA-N 1 2 331.372 0.807 20 30 ECEDLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)N(CC#N)c2ccccc2)C1 ZINC000748457834 579324911 /nfs/dbraw/zinc/32/49/11/579324911.db2.gz LXDYBVHCNXFWNO-OAHLLOKOSA-N 1 2 331.372 0.807 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000750025991 579346382 /nfs/dbraw/zinc/34/63/82/579346382.db2.gz CCWUIKHNDBNJHF-UHFFFAOYSA-N 1 2 326.322 0.972 20 30 ECEDLO CNC(=O)CNC(=S)NN=Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000755720531 579437901 /nfs/dbraw/zinc/43/79/01/579437901.db2.gz DKTNRXLFJSGCBV-UHFFFAOYSA-N 1 2 330.417 0.725 20 30 ECEDLO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000758192367 579468417 /nfs/dbraw/zinc/46/84/17/579468417.db2.gz KUNNPWODAHKVKW-LSDHHAIUSA-N 1 2 346.431 0.849 20 30 ECEDLO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000758192367 579468418 /nfs/dbraw/zinc/46/84/18/579468418.db2.gz KUNNPWODAHKVKW-LSDHHAIUSA-N 1 2 346.431 0.849 20 30 ECEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cn2cccc(C#N)c2=O)CC1 ZINC000758236910 579469329 /nfs/dbraw/zinc/46/93/29/579469329.db2.gz NKIJODLPYGOLBV-HNNXBMFYSA-N 1 2 343.431 0.306 20 30 ECEDLO C[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CC(O)C1 ZINC000759874010 579499838 /nfs/dbraw/zinc/49/98/38/579499838.db2.gz TYRJBNVGJNHTHG-GCZXYKMCSA-N 1 2 326.356 0.967 20 30 ECEDLO C[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CC(O)C1 ZINC000759874010 579499839 /nfs/dbraw/zinc/49/98/39/579499839.db2.gz TYRJBNVGJNHTHG-GCZXYKMCSA-N 1 2 326.356 0.967 20 30 ECEDLO COc1ccc(C(N)=[NH+]OCC(=O)NC2CCN(C(C)=O)CC2)cc1 ZINC000725792214 578133815 /nfs/dbraw/zinc/13/38/15/578133815.db2.gz LUCAVWZJWJJDDA-UHFFFAOYSA-N 1 2 348.403 0.459 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)NCCNc2ccc(C#N)cn2)CCO1 ZINC000726262149 578141049 /nfs/dbraw/zinc/14/10/49/578141049.db2.gz ZDJNPXDSHPFAMN-CYBMUJFWSA-N 1 2 332.408 0.385 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCCNc2ccc(C#N)cn2)CCO1 ZINC000726262149 578141051 /nfs/dbraw/zinc/14/10/51/578141051.db2.gz ZDJNPXDSHPFAMN-CYBMUJFWSA-N 1 2 332.408 0.385 20 30 ECEDLO CN1C(=O)C(=O)N(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)C1=O ZINC000728710070 578290709 /nfs/dbraw/zinc/29/07/09/578290709.db2.gz MVCIDTYMNLQQCI-UHFFFAOYSA-N 1 2 341.371 0.448 20 30 ECEDLO CN1C(=O)C(=O)N(C[N@H+]2CCCN(c3ccccc3C#N)CC2)C1=O ZINC000728710070 578290710 /nfs/dbraw/zinc/29/07/10/578290710.db2.gz MVCIDTYMNLQQCI-UHFFFAOYSA-N 1 2 341.371 0.448 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000730275809 578304422 /nfs/dbraw/zinc/30/44/22/578304422.db2.gz ZBVXELDJNJIMBB-HNNXBMFYSA-N 1 2 340.383 0.775 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000730275809 578304423 /nfs/dbraw/zinc/30/44/23/578304423.db2.gz ZBVXELDJNJIMBB-HNNXBMFYSA-N 1 2 340.383 0.775 20 30 ECEDLO O=c1nc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)nc2[nH][nH]cc1-2 ZINC000731154846 578310877 /nfs/dbraw/zinc/31/08/77/578310877.db2.gz GRXLXJPZIKEWNK-UHFFFAOYSA-N 1 2 339.359 0.715 20 30 ECEDLO CN(Cc1[nH]cc[nH+]1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000731855821 578316025 /nfs/dbraw/zinc/31/60/25/578316025.db2.gz FZBCZARXVPFPEB-UHFFFAOYSA-N 1 2 347.400 0.497 20 30 ECEDLO CC(=CS(C)(=O)=O)NNc1ccc(S(=O)(=O)NC(C)C)c[nH+]1 ZINC000732528570 578327040 /nfs/dbraw/zinc/32/70/40/578327040.db2.gz PYPFQVBATGOBCM-UHFFFAOYSA-N 1 2 348.450 0.601 20 30 ECEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N=NCC3(F)CC3)nc2)CC1 ZINC000794476116 578589674 /nfs/dbraw/zinc/58/96/74/578589674.db2.gz GJNPIQOGUMCLMZ-UHFFFAOYSA-N 1 2 341.412 0.918 20 30 ECEDLO C#CCC[C@H](O)CNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000798359880 578644750 /nfs/dbraw/zinc/64/47/50/578644750.db2.gz PJZXWLIGVBVRRV-HOCLYGCPSA-N 1 2 346.431 0.880 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N2CCC3(CC2)OCCO3)C1=O ZINC000799177672 578660657 /nfs/dbraw/zinc/66/06/57/578660657.db2.gz SYXWEOBYKREMRW-AWEZNQCLSA-N 1 2 337.420 0.071 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2CCC3(CC2)OCCO3)C1=O ZINC000799177672 578660658 /nfs/dbraw/zinc/66/06/58/578660658.db2.gz SYXWEOBYKREMRW-AWEZNQCLSA-N 1 2 337.420 0.071 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc3c(c2)C[C@@H](OC)C3)CC1 ZINC000783891597 578747043 /nfs/dbraw/zinc/74/70/43/578747043.db2.gz NBQLAXQEEORTEF-SFHVURJKSA-N 1 2 327.428 0.990 20 30 ECEDLO C=C(CO)C(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000791332614 578889157 /nfs/dbraw/zinc/88/91/57/578889157.db2.gz DSSMBKDXCMFWEJ-UHFFFAOYSA-N 1 2 339.417 0.110 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)NC)c1C ZINC000766098654 579080734 /nfs/dbraw/zinc/08/07/34/579080734.db2.gz QEZXWOBZLWOZBM-AWEZNQCLSA-N 1 2 335.429 0.939 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)NC)c1C ZINC000766098654 579080735 /nfs/dbraw/zinc/08/07/35/579080735.db2.gz QEZXWOBZLWOZBM-AWEZNQCLSA-N 1 2 335.429 0.939 20 30 ECEDLO C#CCCCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000774867588 579257922 /nfs/dbraw/zinc/25/79/22/579257922.db2.gz YSZPULIJELTNIT-KRWDZBQOSA-N 1 2 343.427 0.533 20 30 ECEDLO C#CCCCNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000774867588 579257924 /nfs/dbraw/zinc/25/79/24/579257924.db2.gz YSZPULIJELTNIT-KRWDZBQOSA-N 1 2 343.427 0.533 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)NCc1cn2ccccc2[nH+]1)[C@H]1CCCO1 ZINC000775123713 579262933 /nfs/dbraw/zinc/26/29/33/579262933.db2.gz VZJUCQXITHAFKH-UONOGXRCSA-N 1 2 326.356 0.248 20 30 ECEDLO C#C[C@@H](NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CCCO1 ZINC000775650891 579269554 /nfs/dbraw/zinc/26/95/54/579269554.db2.gz VIJLHGDWTUJPAU-CVEARBPZSA-N 1 2 347.419 0.518 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000761022658 579519540 /nfs/dbraw/zinc/51/95/40/579519540.db2.gz BYUWQRQQVIXTDT-UHFFFAOYSA-N 1 2 337.445 0.671 20 30 ECEDLO N#Cc1cc(S(N)(=O)=O)ccc1NCC1([NH+]2CCOCC2)CC1 ZINC000764938581 579581208 /nfs/dbraw/zinc/58/12/08/579581208.db2.gz YODAMNYCLBQCPF-UHFFFAOYSA-N 1 2 336.417 0.482 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)N(C)CC[NH+]2CCN(C(=O)[O-])CC2)CC1 ZINC000738462319 579632340 /nfs/dbraw/zinc/63/23/40/579632340.db2.gz YVRUCMHXMHKJSI-UHFFFAOYSA-N 1 2 336.436 0.086 20 30 ECEDLO C[S@](=O)CC[NH+]1CCN(C(=O)CNc2ccc(C#N)cc2)CC1 ZINC000741142460 579766288 /nfs/dbraw/zinc/76/62/88/579766288.db2.gz VJOYVSIJYFPWTI-QHCPKHFHSA-N 1 2 334.445 0.493 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000742143372 579780314 /nfs/dbraw/zinc/78/03/14/579780314.db2.gz VTOKRGXFFLLEMC-KGLIPLIRSA-N 1 2 329.404 0.129 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000742143372 579780315 /nfs/dbraw/zinc/78/03/15/579780315.db2.gz VTOKRGXFFLLEMC-KGLIPLIRSA-N 1 2 329.404 0.129 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@H](C)ON=C(N)C[NH+]1CCSCC1 ZINC000121447194 588932477 /nfs/dbraw/zinc/93/24/77/588932477.db2.gz UYEVPRDOOHKCJW-ZDUSSCGKSA-N 1 2 326.466 0.913 20 30 ECEDLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC1 ZINC000866839089 586049018 /nfs/dbraw/zinc/04/90/18/586049018.db2.gz APWGSJPQUVUQIV-UHFFFAOYSA-N 1 2 341.408 0.775 20 30 ECEDLO C#C[C@@H](NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)c1ccc(F)cc1 ZINC000867293287 589030214 /nfs/dbraw/zinc/03/02/14/589030214.db2.gz IRSQFCFXBHRTCV-HUUCEWRRSA-N 1 2 326.393 0.750 20 30 ECEDLO C#C[C@@H](NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)c1ccc(F)cc1 ZINC000867293287 589030216 /nfs/dbraw/zinc/03/02/16/589030216.db2.gz IRSQFCFXBHRTCV-HUUCEWRRSA-N 1 2 326.393 0.750 20 30 ECEDLO Cc1[nH]c([C@H]2CCCN2c2c(C#N)c(=O)n(C)c(=O)n2C)[nH+]c1C ZINC000895192095 586168714 /nfs/dbraw/zinc/16/87/14/586168714.db2.gz FKIANYIONOOGQC-GFCCVEGCSA-N 1 2 328.376 0.637 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2COC)C1 ZINC000891607938 586181166 /nfs/dbraw/zinc/18/11/66/586181166.db2.gz RBWPCZCFFWRQLO-OAHLLOKOSA-N 1 2 329.400 0.985 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2COC)C1 ZINC000891607938 586181167 /nfs/dbraw/zinc/18/11/67/586181167.db2.gz RBWPCZCFFWRQLO-OAHLLOKOSA-N 1 2 329.400 0.985 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cnc(C3CC3)nc2)C1 ZINC000891606397 586181795 /nfs/dbraw/zinc/18/17/95/586181795.db2.gz MCEDWEUNTCGKTG-CYBMUJFWSA-N 1 2 327.388 0.506 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cnc(C3CC3)nc2)C1 ZINC000891606397 586181799 /nfs/dbraw/zinc/18/17/99/586181799.db2.gz MCEDWEUNTCGKTG-CYBMUJFWSA-N 1 2 327.388 0.506 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(C)c(C(=O)OC)n2)CC1 ZINC000891617597 586182287 /nfs/dbraw/zinc/18/22/87/586182287.db2.gz YALURVHODGAROJ-UHFFFAOYSA-N 1 2 332.404 0.601 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(COC)o2)CC1 ZINC000895915725 586212669 /nfs/dbraw/zinc/21/26/69/586212669.db2.gz IEFJFZWBVXSKMT-UHFFFAOYSA-N 1 2 327.406 0.011 20 30 ECEDLO Cc1cc(C#N)cc(C)c1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000897225266 586289061 /nfs/dbraw/zinc/28/90/61/586289061.db2.gz JIUOQMYDOUZACF-MRXNPFEDSA-N 1 2 331.416 0.940 20 30 ECEDLO C#CCCOc1ccc(C[N@@H+]2CCN3[C@H](CNS3(=O)=O)C2)cc1 ZINC000897283419 586294212 /nfs/dbraw/zinc/29/42/12/586294212.db2.gz LOSJKVFRPUZEGJ-OAHLLOKOSA-N 1 2 335.429 0.423 20 30 ECEDLO C#CCCOc1ccc(C[N@H+]2CCN3[C@H](CNS3(=O)=O)C2)cc1 ZINC000897283419 586294214 /nfs/dbraw/zinc/29/42/14/586294214.db2.gz LOSJKVFRPUZEGJ-OAHLLOKOSA-N 1 2 335.429 0.423 20 30 ECEDLO Cc1nc(N2CC[NH+](C[C@H]3CCCS3(=O)=O)CC2)ccc1C#N ZINC000894753904 586409248 /nfs/dbraw/zinc/40/92/48/586409248.db2.gz NRECFYBGPXEBBH-OAHLLOKOSA-N 1 2 334.445 0.961 20 30 ECEDLO COCCOCC[NH+]1CCN(C(=O)c2cnn(CCC#N)c2C)CC1 ZINC000899066048 586466879 /nfs/dbraw/zinc/46/68/79/586466879.db2.gz KVAIOMQXNLQBPG-UHFFFAOYSA-N 1 2 349.435 0.526 20 30 ECEDLO C=CCOc1cccnc1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899060405 586467754 /nfs/dbraw/zinc/46/77/54/586467754.db2.gz KDOQHTILHBCSAX-UHFFFAOYSA-N 1 2 333.388 0.825 20 30 ECEDLO C=CCOc1cccnc1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899060405 586467756 /nfs/dbraw/zinc/46/77/56/586467756.db2.gz KDOQHTILHBCSAX-UHFFFAOYSA-N 1 2 333.388 0.825 20 30 ECEDLO C#CC[C@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000843247575 589055981 /nfs/dbraw/zinc/05/59/81/589055981.db2.gz AVXIFYXFKZGUIB-INIZCTEOSA-N 1 2 349.475 0.818 20 30 ECEDLO C#CC[C@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC000843247575 589055983 /nfs/dbraw/zinc/05/59/83/589055983.db2.gz AVXIFYXFKZGUIB-INIZCTEOSA-N 1 2 349.475 0.818 20 30 ECEDLO C[C@H]1CC2(CC(=NNC(=S)NCC[NH+]3CCOCC3)C2)CO1 ZINC000901129916 586695580 /nfs/dbraw/zinc/69/55/80/586695580.db2.gz JRXWAGBHKKPUHH-SFVWDYPZSA-N 1 2 326.466 0.728 20 30 ECEDLO COC(=O)Cn1cc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)nn1 ZINC000905084912 586867563 /nfs/dbraw/zinc/86/75/63/586867563.db2.gz NFTZYBIZCDMCCX-PLNGDYQASA-N 1 2 335.389 0.865 20 30 ECEDLO CC(=O)N1CC[NH+](CCNC(=O)[C@@]2(C#N)CC3CCC2CC3)CC1 ZINC000906161331 586934824 /nfs/dbraw/zinc/93/48/24/586934824.db2.gz DXGNBSJLSZRONF-LEOMRAHMSA-N 1 2 332.448 0.987 20 30 ECEDLO C#Cc1ccc(S(=O)(=O)NC2CC[NH+](CC(=O)NC)CC2)cc1 ZINC000906832775 586985965 /nfs/dbraw/zinc/98/59/65/586985965.db2.gz CBFKOZWBBITTPC-UHFFFAOYSA-N 1 2 335.429 0.157 20 30 ECEDLO Cc1cc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc(C)c1C#N ZINC000906929377 586995077 /nfs/dbraw/zinc/99/50/77/586995077.db2.gz MPVMHWGPQDUWNI-MRXNPFEDSA-N 1 2 331.416 0.940 20 30 ECEDLO C[C@H]1CN(C(=O)C[NH+]2CCN(c3ccc(C#N)nc3)CC2)CCO1 ZINC000801550607 586999093 /nfs/dbraw/zinc/99/90/93/586999093.db2.gz CXIMAWBPLBHVSU-AWEZNQCLSA-N 1 2 329.404 0.323 20 30 ECEDLO C[C@@H](CNS(=O)(=O)c1ccc(C#N)cn1)C[NH+]1CCN(C)CC1 ZINC000906986129 587003549 /nfs/dbraw/zinc/00/35/49/587003549.db2.gz CTRMUJPYROCTOO-ZDUSSCGKSA-N 1 2 337.449 0.115 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)nc1 ZINC000907106147 587013298 /nfs/dbraw/zinc/01/32/98/587013298.db2.gz ZMROQGONTSPNQW-KBPBESRZSA-N 1 2 336.417 0.173 20 30 ECEDLO C#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000907104506 587013563 /nfs/dbraw/zinc/01/35/63/587013563.db2.gz NNOHTCHATHOAJU-IAGOWNOFSA-N 1 2 334.441 0.888 20 30 ECEDLO C=CCS(=O)(=O)CCNC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000907307343 587031719 /nfs/dbraw/zinc/03/17/19/587031719.db2.gz DYGZRARCPZSBDL-UHFFFAOYSA-N 1 2 344.477 0.594 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nnn(Cc2noc(C)n2)c1C ZINC000803562023 587063356 /nfs/dbraw/zinc/06/33/56/587063356.db2.gz QBPMHAOAOLTTIT-LBPRGKRZSA-N 1 2 329.364 0.362 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nnn(Cc2noc(C)n2)c1C ZINC000803562023 587063359 /nfs/dbraw/zinc/06/33/59/587063359.db2.gz QBPMHAOAOLTTIT-LBPRGKRZSA-N 1 2 329.364 0.362 20 30 ECEDLO C#CCCCNC(=O)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000806910965 587111274 /nfs/dbraw/zinc/11/12/74/587111274.db2.gz SPFVOOOCHHEVTJ-UHFFFAOYSA-N 1 2 330.310 0.933 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000807247319 587122791 /nfs/dbraw/zinc/12/27/91/587122791.db2.gz UBSOERJOJATKLY-YPMHNXCESA-N 1 2 333.392 0.838 20 30 ECEDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)Cc1ccccc1CC#N ZINC000807280323 587123469 /nfs/dbraw/zinc/12/34/69/587123469.db2.gz FZELGORMFYMIJN-HNNXBMFYSA-N 1 2 326.356 0.850 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1)[C@H]1CCCO1 ZINC000809312015 587174816 /nfs/dbraw/zinc/17/48/16/587174816.db2.gz KLCNGTNRLWBHNF-LSDHHAIUSA-N 1 2 330.388 0.344 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1)[C@H]1CCCO1 ZINC000809312714 587174985 /nfs/dbraw/zinc/17/49/85/587174985.db2.gz NVFMLUPZSUCTSB-MELADBBJSA-N 1 2 330.388 0.033 20 30 ECEDLO COC(=O)[C@@H](NC(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2)C(C)C ZINC000809998645 587187946 /nfs/dbraw/zinc/18/79/46/587187946.db2.gz SBWASIXIAVFPTQ-HNNXBMFYSA-N 1 2 349.387 0.572 20 30 ECEDLO COC(=O)[C@@H](NC(=O)CO[NH+]=C(N)c1ccc(F)cc1)C(C)C ZINC000809993045 587188020 /nfs/dbraw/zinc/18/80/20/587188020.db2.gz DULJDEYMJKMRKB-ZDUSSCGKSA-N 1 2 325.340 0.776 20 30 ECEDLO C=C[C@H](O)C(=O)OCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000814549419 587276898 /nfs/dbraw/zinc/27/68/98/587276898.db2.gz FYWWLFTWYVCTEH-INIZCTEOSA-N 1 2 348.399 0.225 20 30 ECEDLO O=C(N[C@@H]1CCN(O)C1=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000820184773 587515590 /nfs/dbraw/zinc/51/55/90/587515590.db2.gz DPACJFNKROOQCK-HUUCEWRRSA-N 1 2 333.388 0.291 20 30 ECEDLO C#C[C@H](C)NC(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000820436730 587533958 /nfs/dbraw/zinc/53/39/58/587533958.db2.gz YZFOHSJCNZBUQV-AWEZNQCLSA-N 1 2 346.406 0.904 20 30 ECEDLO C#CCN(CC(=O)N[C@H](C)C[NH+]1CCOCC1)C(=O)OC(C)(C)C ZINC000822102660 587644466 /nfs/dbraw/zinc/64/44/66/587644466.db2.gz PHVXGHPJCXPTCP-CQSZACIVSA-N 1 2 339.436 0.694 20 30 ECEDLO N#C[C@@H](CCc1ccccc1)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000823099551 587702477 /nfs/dbraw/zinc/70/24/77/587702477.db2.gz CPRHOOIGBCGUOG-MRXNPFEDSA-N 1 2 328.416 0.779 20 30 ECEDLO N#C[C@@H](CCc1ccccc1)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000823099551 587702478 /nfs/dbraw/zinc/70/24/78/587702478.db2.gz CPRHOOIGBCGUOG-MRXNPFEDSA-N 1 2 328.416 0.779 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](C)[C@H]2CNC(=O)[O-])CC1 ZINC000823455515 587721333 /nfs/dbraw/zinc/72/13/33/587721333.db2.gz DGSPHQUKSRVJFA-LSDHHAIUSA-N 1 2 336.436 0.132 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](C)[C@H]2CNC(=O)[O-])CC1 ZINC000823455515 587721335 /nfs/dbraw/zinc/72/13/35/587721335.db2.gz DGSPHQUKSRVJFA-LSDHHAIUSA-N 1 2 336.436 0.132 20 30 ECEDLO C#CCCN1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823846016 587745430 /nfs/dbraw/zinc/74/54/30/587745430.db2.gz XMRSHPFSBYETRJ-UHFFFAOYSA-N 1 2 326.404 0.886 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1 ZINC000825618382 587953269 /nfs/dbraw/zinc/95/32/69/587953269.db2.gz BJTXHWDDBRPBGY-JYJNAYRXSA-N 1 2 333.432 0.482 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1 ZINC000825618382 587953270 /nfs/dbraw/zinc/95/32/70/587953270.db2.gz BJTXHWDDBRPBGY-JYJNAYRXSA-N 1 2 333.432 0.482 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000825904869 587971310 /nfs/dbraw/zinc/97/13/10/587971310.db2.gz HILHSYRZZAPDJP-SJORKVTESA-N 1 2 346.427 0.609 20 30 ECEDLO O=C(C#Cc1cccs1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000826027253 587982326 /nfs/dbraw/zinc/98/23/26/587982326.db2.gz IOQIPYVTGGEUAH-CQSZACIVSA-N 1 2 347.440 0.149 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC2CC2)CC1 ZINC000830726604 588383502 /nfs/dbraw/zinc/38/35/02/588383502.db2.gz NMOGNTFTAPVVMY-UHFFFAOYSA-N 1 2 330.436 0.582 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844302597 589106965 /nfs/dbraw/zinc/10/69/65/589106965.db2.gz KSYNCBVRAPIXCT-JSGCOSHPSA-N 1 2 342.403 0.842 20 30 ECEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844302597 589106966 /nfs/dbraw/zinc/10/69/66/589106966.db2.gz KSYNCBVRAPIXCT-JSGCOSHPSA-N 1 2 342.403 0.842 20 30 ECEDLO COCCS(=O)(=O)CCC[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844369317 589109382 /nfs/dbraw/zinc/10/93/82/589109382.db2.gz KRCAUAGOEMEKAH-INIZCTEOSA-N 1 2 340.445 0.975 20 30 ECEDLO COCCS(=O)(=O)CCC[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844369317 589109384 /nfs/dbraw/zinc/10/93/84/589109384.db2.gz KRCAUAGOEMEKAH-INIZCTEOSA-N 1 2 340.445 0.975 20 30 ECEDLO C=C(C)CONC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000845595945 589164908 /nfs/dbraw/zinc/16/49/08/589164908.db2.gz ZDPHDKNSCVYCKP-UHFFFAOYSA-N 1 2 347.419 0.927 20 30 ECEDLO C=C[C@@H](C)ONC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000845632455 589165800 /nfs/dbraw/zinc/16/58/00/589165800.db2.gz AVAIFLFEZONVON-CQSZACIVSA-N 1 2 347.419 0.926 20 30 ECEDLO Cn1cc[nH+]c1[C@@H](CC(=O)N[C@@H]1CCCN(O)C1=O)C(F)(F)F ZINC000848131616 589279104 /nfs/dbraw/zinc/27/91/04/589279104.db2.gz AUKQSZUFVUJYJT-RKDXNWHRSA-N 1 2 334.298 0.953 20 30 ECEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000850607088 589371791 /nfs/dbraw/zinc/37/17/91/589371791.db2.gz PWWDBDHPYMOBCQ-UHFFFAOYSA-N 1 2 347.371 0.832 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCc3cc(OC)ccc3C2)CC1 ZINC000852550434 589500723 /nfs/dbraw/zinc/50/07/23/589500723.db2.gz HNQYSJMWOGWUQS-UHFFFAOYSA-N 1 2 327.428 0.831 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCc3cc(OC)ccc3C2)CC1 ZINC000852550434 589500724 /nfs/dbraw/zinc/50/07/24/589500724.db2.gz HNQYSJMWOGWUQS-UHFFFAOYSA-N 1 2 327.428 0.831 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)CC1 ZINC000852741974 589509217 /nfs/dbraw/zinc/50/92/17/589509217.db2.gz MXOZWSXNUKUEFI-KGLIPLIRSA-N 1 2 347.381 0.806 20 30 ECEDLO CN(Cc1c[nH+]c[nH]1)C(=O)CCN=C1NS(=O)(=O)c2ccccc21 ZINC000855134318 589620999 /nfs/dbraw/zinc/62/09/99/589620999.db2.gz KJKSCDOPPPVVJH-UHFFFAOYSA-N 1 2 347.400 0.497 20 30 ECEDLO CN(Cc1c[nH]c[nH+]1)C(=O)CCN=C1NS(=O)(=O)c2ccccc21 ZINC000855134318 589621000 /nfs/dbraw/zinc/62/10/00/589621000.db2.gz KJKSCDOPPPVVJH-UHFFFAOYSA-N 1 2 347.400 0.497 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000856078725 589653639 /nfs/dbraw/zinc/65/36/39/589653639.db2.gz XNYGKIWOSHYHKB-LPHOPBHVSA-N 1 2 346.427 0.404 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000856078725 589653640 /nfs/dbraw/zinc/65/36/40/589653640.db2.gz XNYGKIWOSHYHKB-LPHOPBHVSA-N 1 2 346.427 0.404 20 30 ECEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@]2(C#N)CCCOC2)CC1 ZINC000866490916 589745975 /nfs/dbraw/zinc/74/59/75/589745975.db2.gz XZRSVPGTWUJVNM-YJBOKZPZSA-N 1 2 348.447 0.462 20 30 ECEDLO C#CCOc1ccccc1CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000866789347 589777312 /nfs/dbraw/zinc/77/73/12/589777312.db2.gz HQTLNGCOBDNCSJ-HNNXBMFYSA-N 1 2 338.429 0.449 20 30 ECEDLO C#CCOc1ccccc1CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000866789347 589777314 /nfs/dbraw/zinc/77/73/14/589777314.db2.gz HQTLNGCOBDNCSJ-HNNXBMFYSA-N 1 2 338.429 0.449 20 30 ECEDLO CCN1C(=O)CO[C@H](C(=O)OCC(C)(C)C#N)[C@H]1c1[nH+]ccn1C ZINC000860645105 589789475 /nfs/dbraw/zinc/78/94/75/589789475.db2.gz LAHZEEPPJIDULR-STQMWFEESA-N 1 2 334.376 0.801 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](C)C(F)(F)F)CC1 ZINC000859224715 589809551 /nfs/dbraw/zinc/80/95/51/589809551.db2.gz HRAINPNEUWQCJX-GFCCVEGCSA-N 1 2 333.354 0.859 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](C)C(F)(F)F)CC1 ZINC000859224715 589809555 /nfs/dbraw/zinc/80/95/55/589809555.db2.gz HRAINPNEUWQCJX-GFCCVEGCSA-N 1 2 333.354 0.859 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000859356859 589825805 /nfs/dbraw/zinc/82/58/05/589825805.db2.gz BYKJXYHFMZPWFC-KGLIPLIRSA-N 1 2 337.420 0.446 20 30 ECEDLO C=CCOC[C@H](NC(=O)[C@@H]1CCC[N@H+](CC(F)F)C1)C(=O)OC ZINC000867969954 589865737 /nfs/dbraw/zinc/86/57/37/589865737.db2.gz ULXCTFTZTXLQBX-NEPJUHHUSA-N 1 2 334.363 0.824 20 30 ECEDLO C=CCOC[C@H](NC(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1)C(=O)OC ZINC000867969954 589865740 /nfs/dbraw/zinc/86/57/40/589865740.db2.gz ULXCTFTZTXLQBX-NEPJUHHUSA-N 1 2 334.363 0.824 20 30 ECEDLO C=CCOC[C@@H](NC(=O)[C@H]1CCC[N@H+](CC(F)F)C1)C(=O)OC ZINC000867969955 589865945 /nfs/dbraw/zinc/86/59/45/589865945.db2.gz ULXCTFTZTXLQBX-NWDGAFQWSA-N 1 2 334.363 0.824 20 30 ECEDLO C=CCOC[C@@H](NC(=O)[C@H]1CCC[N@@H+](CC(F)F)C1)C(=O)OC ZINC000867969955 589865946 /nfs/dbraw/zinc/86/59/46/589865946.db2.gz ULXCTFTZTXLQBX-NWDGAFQWSA-N 1 2 334.363 0.824 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)nn1 ZINC000870057718 589992054 /nfs/dbraw/zinc/99/20/54/589992054.db2.gz HYKZCQOVLZSKQE-AWEZNQCLSA-N 1 2 335.408 0.027 20 30 ECEDLO COc1cc(C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)ccc1C#N ZINC000870059620 589992945 /nfs/dbraw/zinc/99/29/45/589992945.db2.gz WNQGCRFFGNFNPG-MRXNPFEDSA-N 1 2 345.399 0.740 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000863786952 590037993 /nfs/dbraw/zinc/03/79/93/590037993.db2.gz KVJSAXDKABTPAY-INIZCTEOSA-N 1 2 330.432 0.748 20 30 ECEDLO C#CC[C@H](COC)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000863805825 590039681 /nfs/dbraw/zinc/03/96/81/590039681.db2.gz VTCJREGRUCJSBR-HIFRSBDPSA-N 1 2 334.420 0.638 20 30 ECEDLO C#CC[C@H](COC)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000863805825 590039683 /nfs/dbraw/zinc/03/96/83/590039683.db2.gz VTCJREGRUCJSBR-HIFRSBDPSA-N 1 2 334.420 0.638 20 30 ECEDLO N#Cc1c(F)cccc1N1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000864846257 590111232 /nfs/dbraw/zinc/11/12/32/590111232.db2.gz LVMDJDPUXAWPIO-OAHLLOKOSA-N 1 2 329.335 0.803 20 30 ECEDLO Cn1[nH]ccc1=NN=Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872366571 590115693 /nfs/dbraw/zinc/11/56/93/590115693.db2.gz DUDZYQBAAWBCEH-UHFFFAOYSA-N 1 2 329.404 0.999 20 30 ECEDLO C#Cc1cccc(NC(=O)CNC(=O)/C=C/C[NH+]2CCOCC2)c1 ZINC000864939223 590117396 /nfs/dbraw/zinc/11/73/96/590117396.db2.gz FELZCOXYXLLHJU-QPJJXVBHSA-N 1 2 327.384 0.611 20 30 ECEDLO Cc1cccc(C#N)c1S(=O)(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000872498541 590121719 /nfs/dbraw/zinc/12/17/19/590121719.db2.gz XGFBHFLJAKJHFC-UONOGXRCSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cccc(C#N)c1S(=O)(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000872498541 590121720 /nfs/dbraw/zinc/12/17/20/590121720.db2.gz XGFBHFLJAKJHFC-UONOGXRCSA-N 1 2 337.445 0.942 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnc(F)cc2C)CC1 ZINC000865177715 590130054 /nfs/dbraw/zinc/13/00/54/590130054.db2.gz HZSYIUWYIASFLI-UHFFFAOYSA-N 1 2 332.379 0.426 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnc(F)cc2C)CC1 ZINC000865177715 590130056 /nfs/dbraw/zinc/13/00/56/590130056.db2.gz HZSYIUWYIASFLI-UHFFFAOYSA-N 1 2 332.379 0.426 20 30 ECEDLO Cn1nnnc1C1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000872789122 590148487 /nfs/dbraw/zinc/14/84/87/590148487.db2.gz VMWDLLMDAZLRNW-UHFFFAOYSA-N 1 2 339.403 0.569 20 30 ECEDLO COc1ccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc1C#N ZINC000873692413 590196466 /nfs/dbraw/zinc/19/64/66/590196466.db2.gz GOWURKWLLRKTEH-UHFFFAOYSA-N 1 2 328.372 0.812 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000875602203 590313899 /nfs/dbraw/zinc/31/38/99/590313899.db2.gz BEZGOGWXSMAEAT-UKRRQHHQSA-N 1 2 331.372 0.216 20 30 ECEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000879729055 590340008 /nfs/dbraw/zinc/34/00/08/590340008.db2.gz URKNEPSCUOYGER-OIISXLGYSA-N 1 2 345.399 0.277 20 30 ECEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000879729055 590340010 /nfs/dbraw/zinc/34/00/10/590340010.db2.gz URKNEPSCUOYGER-OIISXLGYSA-N 1 2 345.399 0.277 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)CC1 ZINC000128119028 590354343 /nfs/dbraw/zinc/35/43/43/590354343.db2.gz SHORIOZMYOUQNF-SFHVURJKSA-N 1 2 339.439 0.998 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cc2csc(N3CCCC3=O)n2)CC1 ZINC000128195469 590366908 /nfs/dbraw/zinc/36/69/08/590366908.db2.gz OIAOIMWPIQCRNF-UHFFFAOYSA-N 1 2 332.429 0.590 20 30 ECEDLO C[N@@H+]1CCn2nc(NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2C1 ZINC000880814740 590420466 /nfs/dbraw/zinc/42/04/66/590420466.db2.gz XIZSFDDGWXFZGD-CQSZACIVSA-N 1 2 329.408 0.533 20 30 ECEDLO C[N@H+]1CCn2nc(NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2C1 ZINC000880814740 590420469 /nfs/dbraw/zinc/42/04/69/590420469.db2.gz XIZSFDDGWXFZGD-CQSZACIVSA-N 1 2 329.408 0.533 20 30 ECEDLO N#Cc1cnn2cc(C[NH+]3CC(CNC(=O)C(F)(F)F)C3)cnc12 ZINC000877778533 590482137 /nfs/dbraw/zinc/48/21/37/590482137.db2.gz PDFJSQOZXLQATL-UHFFFAOYSA-N 1 2 338.293 0.711 20 30 ECEDLO C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000882391933 590546670 /nfs/dbraw/zinc/54/66/70/590546670.db2.gz HPIBIMDFQSXBNK-UHFFFAOYSA-N 1 2 327.406 0.490 20 30 ECEDLO C#CC[N@@H+](CC(=O)N1CCN(C(=O)OCC)CC1)C1CSC1 ZINC000878913192 590550851 /nfs/dbraw/zinc/55/08/51/590550851.db2.gz FCTCBBCSJHOIDV-UHFFFAOYSA-N 1 2 325.434 0.338 20 30 ECEDLO C#CC[N@H+](CC(=O)N1CCN(C(=O)OCC)CC1)C1CSC1 ZINC000878913192 590550853 /nfs/dbraw/zinc/55/08/53/590550853.db2.gz FCTCBBCSJHOIDV-UHFFFAOYSA-N 1 2 325.434 0.338 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000879223493 590571757 /nfs/dbraw/zinc/57/17/57/590571757.db2.gz RWERBWGZGLZPNO-VXGBXAGGSA-N 1 2 340.424 0.986 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000879223493 590571760 /nfs/dbraw/zinc/57/17/60/590571760.db2.gz RWERBWGZGLZPNO-VXGBXAGGSA-N 1 2 340.424 0.986 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)C[C@H](OC)C2CCOCC2)C1 ZINC000885508309 590729227 /nfs/dbraw/zinc/72/92/27/590729227.db2.gz FHEFOWMNGMUKTR-HOTGVXAUSA-N 1 2 344.477 0.445 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)C[C@H](OC)C2CCOCC2)C1 ZINC000885508309 590729231 /nfs/dbraw/zinc/72/92/31/590729231.db2.gz FHEFOWMNGMUKTR-HOTGVXAUSA-N 1 2 344.477 0.445 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)OC)oc2C)C1 ZINC000885511271 590729856 /nfs/dbraw/zinc/72/98/56/590729856.db2.gz DRXMFPMCJBGNKB-GFCCVEGCSA-N 1 2 340.401 0.751 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)OC)oc2C)C1 ZINC000885511271 590729858 /nfs/dbraw/zinc/72/98/58/590729858.db2.gz DRXMFPMCJBGNKB-GFCCVEGCSA-N 1 2 340.401 0.751 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc3c2COC3=O)C1 ZINC000885512412 590730628 /nfs/dbraw/zinc/73/06/28/590730628.db2.gz VRXKDKQYJRHBNU-GFCCVEGCSA-N 1 2 334.397 0.733 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc3c2COC3=O)C1 ZINC000885512412 590730632 /nfs/dbraw/zinc/73/06/32/590730632.db2.gz VRXKDKQYJRHBNU-GFCCVEGCSA-N 1 2 334.397 0.733 20 30 ECEDLO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CCC2)[C@@H](C(=O)OC)C1 ZINC000886120305 590797804 /nfs/dbraw/zinc/79/78/04/590797804.db2.gz AXXGGDUYOZJAET-HZSPNIEDSA-N 1 2 338.404 0.858 20 30 ECEDLO COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)[C@@H](C(=O)OC)C1 ZINC000886120305 590797805 /nfs/dbraw/zinc/79/78/05/590797805.db2.gz AXXGGDUYOZJAET-HZSPNIEDSA-N 1 2 338.404 0.858 20 30 ECEDLO CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000886203867 590812220 /nfs/dbraw/zinc/81/22/20/590812220.db2.gz JNTMDQLVXCPLQA-VNHYZAJKSA-N 1 2 325.434 0.258 20 30 ECEDLO CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000886203867 590812222 /nfs/dbraw/zinc/81/22/22/590812222.db2.gz JNTMDQLVXCPLQA-VNHYZAJKSA-N 1 2 325.434 0.258 20 30 ECEDLO Oc1ccc(C=NNC(=S)NCC[NH+]2CCOCC2)c(F)c1F ZINC000884380453 590816428 /nfs/dbraw/zinc/81/64/28/590816428.db2.gz DJBFOEXEESGCPE-UHFFFAOYSA-N 1 2 344.387 0.801 20 30 ECEDLO C=CCOCC[N@H+]1CCOC[C@]1(CO)CNC(=O)OC(C)(C)C ZINC000886292463 590826647 /nfs/dbraw/zinc/82/66/47/590826647.db2.gz OIVVPCYNCOZRIS-MRXNPFEDSA-N 1 2 330.425 0.777 20 30 ECEDLO C=CCOCC[N@@H+]1CCOC[C@]1(CO)CNC(=O)OC(C)(C)C ZINC000886292463 590826650 /nfs/dbraw/zinc/82/66/50/590826650.db2.gz OIVVPCYNCOZRIS-MRXNPFEDSA-N 1 2 330.425 0.777 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCc3cc(O)c(OC)cc3C2)CC1 ZINC000887105327 590943777 /nfs/dbraw/zinc/94/37/77/590943777.db2.gz QNIYWZYDDMGCCI-UHFFFAOYSA-N 1 2 343.427 0.536 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCc3cc(O)c(OC)cc3C2)CC1 ZINC000887105327 590943780 /nfs/dbraw/zinc/94/37/80/590943780.db2.gz QNIYWZYDDMGCCI-UHFFFAOYSA-N 1 2 343.427 0.536 20 30 ECEDLO N#CCNC(=O)C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737696729 598539960 /nfs/dbraw/zinc/53/99/60/598539960.db2.gz VIPDUAIUQUEAEF-UHFFFAOYSA-N 1 2 341.375 0.350 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1Cc1cnn(C)n1 ZINC000947170654 611441597 /nfs/dbraw/zinc/44/15/97/611441597.db2.gz JQBHSKKKIGXSOW-DGCLKSJQSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@H+]1Cc1cnn(C)n1 ZINC000947170654 611441598 /nfs/dbraw/zinc/44/15/98/611441598.db2.gz JQBHSKKKIGXSOW-DGCLKSJQSA-N 1 2 327.392 0.798 20 30 ECEDLO N#CCC(=O)N1CC[NH+](C[C@@H](O)COc2ccc3cc[nH]c3c2)CC1 ZINC000930630469 611448377 /nfs/dbraw/zinc/44/83/77/611448377.db2.gz LQTHRFRERMOVOF-OAHLLOKOSA-N 1 2 342.399 0.965 20 30 ECEDLO Cn1[nH]c(=O)c2c1C[N@H+](CC(=O)NCc1cccc(C#N)c1)CC2 ZINC000931200058 611518235 /nfs/dbraw/zinc/51/82/35/611518235.db2.gz JRPHAFUSIFBWPW-UHFFFAOYSA-N 1 2 325.372 0.672 20 30 ECEDLO Cn1[nH]c(=O)c2c1C[N@@H+](CC(=O)NCc1cccc(C#N)c1)CC2 ZINC000931200058 611518237 /nfs/dbraw/zinc/51/82/37/611518237.db2.gz JRPHAFUSIFBWPW-UHFFFAOYSA-N 1 2 325.372 0.672 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cn(CCC)nn3)CC2)C1 ZINC000949504083 608718800 /nfs/dbraw/zinc/71/88/00/608718800.db2.gz NYKCLUXOAOBUPW-UHFFFAOYSA-N 1 2 331.420 0.628 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cn(CCC)nn3)CC2)C1 ZINC000949504083 608718802 /nfs/dbraw/zinc/71/88/02/608718802.db2.gz NYKCLUXOAOBUPW-UHFFFAOYSA-N 1 2 331.420 0.628 20 30 ECEDLO N#Cc1cnccc1COC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000923772903 608737172 /nfs/dbraw/zinc/73/71/72/608737172.db2.gz WUXOXFWPUBSXDM-CVEARBPZSA-N 1 2 331.372 0.876 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@](CO)(NC(=O)OC(C)(C)C)C1 ZINC000932696710 611657148 /nfs/dbraw/zinc/65/71/48/611657148.db2.gz WUAHBCOOGFZVRB-GUYCJALGSA-N 1 2 339.436 0.476 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@](CO)(NC(=O)OC(C)(C)C)C1 ZINC000932696710 611657149 /nfs/dbraw/zinc/65/71/49/611657149.db2.gz WUAHBCOOGFZVRB-GUYCJALGSA-N 1 2 339.436 0.476 20 30 ECEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)NCC#CCO)CC1 ZINC000923788678 608986994 /nfs/dbraw/zinc/98/69/94/608986994.db2.gz PAYQIFZJDIMPFG-UHFFFAOYSA-N 1 2 331.416 0.827 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nn3)[C@@H](C)C2)nn1 ZINC000947792704 611692446 /nfs/dbraw/zinc/69/24/46/611692446.db2.gz QSSNJOZVTOFGJB-STQMWFEESA-N 1 2 344.423 0.376 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cn(C)nn3)[C@@H](C)C2)nn1 ZINC000947792704 611692449 /nfs/dbraw/zinc/69/24/49/611692449.db2.gz QSSNJOZVTOFGJB-STQMWFEESA-N 1 2 344.423 0.376 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc3c(c2)OCC(=O)N3)C1 ZINC000919875361 609665254 /nfs/dbraw/zinc/66/52/54/609665254.db2.gz SDPRPSSSZXCVHA-LBPRGKRZSA-N 1 2 349.412 0.393 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc3c(c2)OCC(=O)N3)C1 ZINC000919875361 609665257 /nfs/dbraw/zinc/66/52/57/609665257.db2.gz SDPRPSSSZXCVHA-LBPRGKRZSA-N 1 2 349.412 0.393 20 30 ECEDLO C#CCC[N@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@H]1C ZINC000947825426 611709005 /nfs/dbraw/zinc/70/90/05/611709005.db2.gz QAXAETIVLHOEGQ-OLZOCXBDSA-N 1 2 342.403 0.064 20 30 ECEDLO C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@H]1C ZINC000947825426 611709010 /nfs/dbraw/zinc/70/90/10/611709010.db2.gz QAXAETIVLHOEGQ-OLZOCXBDSA-N 1 2 342.403 0.064 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)cc1 ZINC000938318829 609732628 /nfs/dbraw/zinc/73/26/28/609732628.db2.gz WLLSYQRLQRWTCC-INIZCTEOSA-N 1 2 336.395 0.975 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC000938532418 609847380 /nfs/dbraw/zinc/84/73/80/609847380.db2.gz HIDQZFOBJMRFRS-CYBMUJFWSA-N 1 2 343.391 0.103 20 30 ECEDLO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000916614670 609944047 /nfs/dbraw/zinc/94/40/47/609944047.db2.gz KMLNFBQIMXDGEK-MRXNPFEDSA-N 1 2 349.456 0.756 20 30 ECEDLO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000916614670 609944048 /nfs/dbraw/zinc/94/40/48/609944048.db2.gz KMLNFBQIMXDGEK-MRXNPFEDSA-N 1 2 349.456 0.756 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000938991442 610063631 /nfs/dbraw/zinc/06/36/31/610063631.db2.gz CQMSRGFBPPQYIV-CFVMTHIKSA-N 1 2 332.404 0.651 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)nn1 ZINC000940504766 610292982 /nfs/dbraw/zinc/29/29/82/610292982.db2.gz FPZUODHTQZRBPD-CYBMUJFWSA-N 1 2 343.391 0.082 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)Cn3ccc(C)n3)CC2)C1 ZINC000941423023 610307982 /nfs/dbraw/zinc/30/79/82/610307982.db2.gz TUBAUTUODLYFEH-HNNXBMFYSA-N 1 2 329.448 0.289 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(OC)c(F)c3)CC2)C1 ZINC000941444684 610309515 /nfs/dbraw/zinc/30/95/15/610309515.db2.gz UVFYMRWIBFZQGR-UHFFFAOYSA-N 1 2 331.391 0.910 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccnc(-n4cccc4)c3)CC2)C1 ZINC000941446632 610321963 /nfs/dbraw/zinc/32/19/63/610321963.db2.gz ATMHKTDNQYZFQX-UHFFFAOYSA-N 1 2 349.438 0.948 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ncn4ccc(C)cc34)CC2)C1 ZINC000941468666 610328827 /nfs/dbraw/zinc/32/88/27/610328827.db2.gz WNJDQMZYERIUSG-UHFFFAOYSA-N 1 2 337.427 0.718 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc4c(c3)ncn4C)CC2)C1 ZINC000941464853 610333788 /nfs/dbraw/zinc/33/37/88/610333788.db2.gz MBURVPBWZGSNCS-UHFFFAOYSA-N 1 2 337.427 0.649 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3cc(C)nn3C)CC2)C1 ZINC000941485632 610338181 /nfs/dbraw/zinc/33/81/81/610338181.db2.gz XQJOLQNZMLTBSW-UHFFFAOYSA-N 1 2 329.448 0.123 20 30 ECEDLO C=C(Cl)CN1CC(N2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC000941509286 610349715 /nfs/dbraw/zinc/34/97/15/610349715.db2.gz CRBYJCKVOSKSRH-UHFFFAOYSA-N 1 2 337.855 0.854 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc4nonc4c3)CC2)C1 ZINC000941541113 610359599 /nfs/dbraw/zinc/35/95/99/610359599.db2.gz VFKOCOPUZCMHIA-UHFFFAOYSA-N 1 2 339.399 0.688 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(C(C)(C)C)nn3C)CC2)C1 ZINC000941547558 610371346 /nfs/dbraw/zinc/37/13/46/610371346.db2.gz NYXONNGOTQDKSY-UHFFFAOYSA-N 1 2 343.475 0.793 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000941602052 610402498 /nfs/dbraw/zinc/40/24/98/610402498.db2.gz NBUMWWJATNIYKJ-CVEARBPZSA-N 1 2 343.431 0.006 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cn2cncc2C)C1 ZINC000941602052 610402501 /nfs/dbraw/zinc/40/25/01/610402501.db2.gz NBUMWWJATNIYKJ-CVEARBPZSA-N 1 2 343.431 0.006 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cn2cncc2C)C1 ZINC000941602052 610402503 /nfs/dbraw/zinc/40/25/03/610402503.db2.gz NBUMWWJATNIYKJ-CVEARBPZSA-N 1 2 343.431 0.006 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc4ncccn4n3)CC2)C1 ZINC000941613404 610409580 /nfs/dbraw/zinc/40/95/80/610409580.db2.gz MXXDDZOZHTYTTJ-UHFFFAOYSA-N 1 2 338.415 0.195 20 30 ECEDLO C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4[nH]nnc4C3)CC2)C1 ZINC000941636642 610422176 /nfs/dbraw/zinc/42/21/76/610422176.db2.gz RAZMEJSYENWHQP-AWEZNQCLSA-N 1 2 344.463 0.314 20 30 ECEDLO C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4nn[nH]c4C3)CC2)C1 ZINC000941636642 610422177 /nfs/dbraw/zinc/42/21/77/610422177.db2.gz RAZMEJSYENWHQP-AWEZNQCLSA-N 1 2 344.463 0.314 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cn(CC4CC4)nn3)CC2)C1 ZINC000941623512 610427071 /nfs/dbraw/zinc/42/70/71/610427071.db2.gz XHPNUQCQXVRHGF-UHFFFAOYSA-N 1 2 342.447 0.153 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3c(C)noc3C)CC2)C1 ZINC000941661945 610431121 /nfs/dbraw/zinc/43/11/21/610431121.db2.gz NCPIHKXZQYTMOF-UHFFFAOYSA-N 1 2 330.432 0.686 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccc(NC(N)=O)c3)CC2)C1 ZINC000941661637 610434925 /nfs/dbraw/zinc/43/49/25/610434925.db2.gz DWOPKOHHFNCMKP-UHFFFAOYSA-N 1 2 341.415 0.252 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc4[nH]c(=O)oc4c3)CC2)C1 ZINC000941678838 610451509 /nfs/dbraw/zinc/45/15/09/610451509.db2.gz INYWOXNSANDBSW-UHFFFAOYSA-N 1 2 340.383 0.609 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000941681315 610460116 /nfs/dbraw/zinc/46/01/16/610460116.db2.gz KLQCRQKOYVMPRL-KMFMINBZSA-N 1 2 346.431 0.661 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(N(C)C)ccn3)CC2)C1 ZINC000941681854 610461284 /nfs/dbraw/zinc/46/12/84/610461284.db2.gz XWVHTRKTZXCQQA-UHFFFAOYSA-N 1 2 327.432 0.223 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(C)n(C(C)C)n3)CC2)C1 ZINC000941691359 610465896 /nfs/dbraw/zinc/46/58/96/610465896.db2.gz VTYPQRBXMSVEKP-UHFFFAOYSA-N 1 2 329.448 0.848 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000942452935 610466968 /nfs/dbraw/zinc/46/69/68/610466968.db2.gz VZIMKTAELATPHG-KFWWJZLASA-N 1 2 332.404 0.581 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2cnn(C)n2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941930156 610567639 /nfs/dbraw/zinc/56/76/39/610567639.db2.gz QYYUGRPWJSDUIN-RISCZKNCSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2cnn(C)n2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941930156 610567642 /nfs/dbraw/zinc/56/76/42/610567642.db2.gz QYYUGRPWJSDUIN-RISCZKNCSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@@H]1C[N@H+](Cc2ncnn2C)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941931487 610568545 /nfs/dbraw/zinc/56/85/45/610568545.db2.gz ZKCDHDPQBYSCLL-YPMHNXCESA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@@H]1C[N@@H+](Cc2ncnn2C)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941931487 610568546 /nfs/dbraw/zinc/56/85/46/610568546.db2.gz ZKCDHDPQBYSCLL-YPMHNXCESA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@H]1C[N@H+](Cc2ncnn2C)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966850 610581136 /nfs/dbraw/zinc/58/11/36/610581136.db2.gz OHJDKFXXRBOJRQ-WCQYABFASA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@H]1C[N@@H+](Cc2ncnn2C)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966850 610581138 /nfs/dbraw/zinc/58/11/38/610581138.db2.gz OHJDKFXXRBOJRQ-WCQYABFASA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@H]1C[N@H+](Cc2cnn(C)n2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941965450 610587818 /nfs/dbraw/zinc/58/78/18/610587818.db2.gz ASWQQCMHDDUEQT-FZMZJTMJSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@H]1C[N@@H+](Cc2cnn(C)n2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941965450 610587819 /nfs/dbraw/zinc/58/78/19/610587819.db2.gz ASWQQCMHDDUEQT-FZMZJTMJSA-N 1 2 327.392 0.655 20 30 ECEDLO Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)[nH]1 ZINC000941965918 610588230 /nfs/dbraw/zinc/58/82/30/610588230.db2.gz FDGPLJNAEQMTIB-ZWNOBZJWSA-N 1 2 327.392 0.953 20 30 ECEDLO Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)[nH]1 ZINC000941965918 610588232 /nfs/dbraw/zinc/58/82/32/610588232.db2.gz FDGPLJNAEQMTIB-ZWNOBZJWSA-N 1 2 327.392 0.953 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000941202757 610594318 /nfs/dbraw/zinc/59/43/18/610594318.db2.gz QCJLHMDOVKXENS-RDJZCZTQSA-N 1 2 346.431 0.994 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC000941343042 610680828 /nfs/dbraw/zinc/68/08/28/610680828.db2.gz TZBFSVITTUSVTC-GOEBONIOSA-N 1 2 343.431 0.905 20 30 ECEDLO Cc1nn(C)cc1C[NH+]1CC(N2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC000941407798 610722261 /nfs/dbraw/zinc/72/22/61/610722261.db2.gz XGYRDLRJLNTPNI-UHFFFAOYSA-N 1 2 341.459 0.470 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cn(C)nc3C3CC3)CC2)C1 ZINC000941423885 610724086 /nfs/dbraw/zinc/72/40/86/610724086.db2.gz FLSBPULUAYABRK-UHFFFAOYSA-N 1 2 327.432 0.373 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2CCCCN(C(=O)Cc3c[nH+]c[nH]3)C2)c[nH]1 ZINC000943199216 610744024 /nfs/dbraw/zinc/74/40/24/610744024.db2.gz LLFMLDRNRWWATQ-CYBMUJFWSA-N 1 2 340.387 0.963 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)[nH]1 ZINC000943341683 610809909 /nfs/dbraw/zinc/80/99/09/610809909.db2.gz DIMHBCAYMYVCKX-AWEZNQCLSA-N 1 2 340.387 0.894 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC000944408637 610861980 /nfs/dbraw/zinc/86/19/80/610861980.db2.gz BCPMRURZAJKQTG-CYBMUJFWSA-N 1 2 329.404 0.953 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cnon3)C[C@@H]2C)nn1 ZINC000943494793 610883237 /nfs/dbraw/zinc/88/32/37/610883237.db2.gz AQZZGPDZPXBVRA-AAEUAGOBSA-N 1 2 331.380 0.488 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cnon3)C[C@@H]2C)nn1 ZINC000943494793 610883238 /nfs/dbraw/zinc/88/32/38/610883238.db2.gz AQZZGPDZPXBVRA-AAEUAGOBSA-N 1 2 331.380 0.488 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cnon3)C[C@H]2C)nn1 ZINC000943494800 610883264 /nfs/dbraw/zinc/88/32/64/610883264.db2.gz AQZZGPDZPXBVRA-YPMHNXCESA-N 1 2 331.380 0.488 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cnon3)C[C@H]2C)nn1 ZINC000943494800 610883266 /nfs/dbraw/zinc/88/32/66/610883266.db2.gz AQZZGPDZPXBVRA-YPMHNXCESA-N 1 2 331.380 0.488 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CCCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC000943568917 610904332 /nfs/dbraw/zinc/90/43/32/610904332.db2.gz BGJXZOCWWIZBOV-ZDUSSCGKSA-N 1 2 340.387 0.963 20 30 ECEDLO O=C(C#CC1CC1)N1CCC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000944010620 611083474 /nfs/dbraw/zinc/08/34/74/611083474.db2.gz PBBPOFATYNPZAW-HZPDHXFCSA-N 1 2 340.427 0.966 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)Cc2c[nH]c[nH+]2)[nH]1 ZINC000946327257 611220474 /nfs/dbraw/zinc/22/04/74/611220474.db2.gz RRWXJCHZJMCDQC-SMDDNHRTSA-N 1 2 340.387 0.867 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)C1 ZINC000923565744 611264052 /nfs/dbraw/zinc/26/40/52/611264052.db2.gz KWRXUEAKINLQQC-RYUDHWBXSA-N 1 2 333.354 0.903 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)C1 ZINC000923565744 611264054 /nfs/dbraw/zinc/26/40/54/611264054.db2.gz KWRXUEAKINLQQC-RYUDHWBXSA-N 1 2 333.354 0.903 20 30 ECEDLO NS(=O)(=O)c1ccc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)c(F)c1 ZINC000842529357 611315218 /nfs/dbraw/zinc/31/52/18/611315218.db2.gz XBPNWHWZQUEPPF-BETUJISGSA-N 1 2 339.396 0.667 20 30 ECEDLO C=C(Br)CN1CC(N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000949830775 611772211 /nfs/dbraw/zinc/77/22/11/611772211.db2.gz YEWVQMKCPBKYLC-ZDUSSCGKSA-N 1 2 346.269 0.758 20 30 ECEDLO C=C(Br)CN1CC(N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000949830775 611772212 /nfs/dbraw/zinc/77/22/12/611772212.db2.gz YEWVQMKCPBKYLC-ZDUSSCGKSA-N 1 2 346.269 0.758 20 30 ECEDLO Cn1cc(C2=NC[C@@H](CN(CCC#N)CC[NH+]3CCOCC3)O2)cn1 ZINC000929774260 611792661 /nfs/dbraw/zinc/79/26/61/611792661.db2.gz MGPVTVGEKNZFHQ-INIZCTEOSA-N 1 2 346.435 0.113 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCOC2(CC[NH+](Cc3cnns3)CC2)C1 ZINC000949053832 611830507 /nfs/dbraw/zinc/83/05/07/611830507.db2.gz MBJNVJVBLLXIHZ-GFCCVEGCSA-N 1 2 335.433 0.891 20 30 ECEDLO N#CCN1CCOC2(CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)CC2)C1 ZINC000949401682 611965741 /nfs/dbraw/zinc/96/57/41/611965741.db2.gz JGZWBYVWJCEOHY-HNNXBMFYSA-N 1 2 343.431 0.662 20 30 ECEDLO N#CCN1CCOC2(CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)C1 ZINC000949401418 611965753 /nfs/dbraw/zinc/96/57/53/611965753.db2.gz BQNVCBFRWUWHFB-OAHLLOKOSA-N 1 2 343.431 0.662 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc4nnnn4c3)CC2)C1 ZINC000949414818 611971084 /nfs/dbraw/zinc/97/10/84/611971084.db2.gz HACCDNKFBUBXHB-UHFFFAOYSA-N 1 2 340.387 0.065 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccc4nnnn4c3)CC2)C1 ZINC000949414818 611971085 /nfs/dbraw/zinc/97/10/85/611971085.db2.gz HACCDNKFBUBXHB-UHFFFAOYSA-N 1 2 340.387 0.065 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)CC2)C1 ZINC000949423568 611973862 /nfs/dbraw/zinc/97/38/62/611973862.db2.gz DWMMKTXBPCTNAO-HZPDHXFCSA-N 1 2 342.443 0.850 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)CC2)C1 ZINC000949423568 611973864 /nfs/dbraw/zinc/97/38/64/611973864.db2.gz DWMMKTXBPCTNAO-HZPDHXFCSA-N 1 2 342.443 0.850 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)[nH]1 ZINC000950481295 612035138 /nfs/dbraw/zinc/03/51/38/612035138.db2.gz APCRLJREZGQBGJ-GFCCVEGCSA-N 1 2 326.360 0.573 20 30 ECEDLO Cn1ncc(CCC(=O)N2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000950541416 612061545 /nfs/dbraw/zinc/06/15/45/612061545.db2.gz PHSHVXLJXQYEAV-UHFFFAOYSA-N 1 2 338.415 0.964 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCN2C(=O)CCc2c[nH]c[nH+]2)c1 ZINC000952015005 612177723 /nfs/dbraw/zinc/17/77/23/612177723.db2.gz ZIUHVBGJWLYOIT-INIZCTEOSA-N 1 2 337.383 0.750 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@@H]2CCN2C(=O)CCc2c[nH+]c[nH]2)c1 ZINC000952015005 612177725 /nfs/dbraw/zinc/17/77/25/612177725.db2.gz ZIUHVBGJWLYOIT-INIZCTEOSA-N 1 2 337.383 0.750 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@]2(CCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC000953201797 612201856 /nfs/dbraw/zinc/20/18/56/612201856.db2.gz XCIWYYLJRLTPPR-RDTXWAMCSA-N 1 2 343.431 0.963 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@]2(CCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC000953201794 612201936 /nfs/dbraw/zinc/20/19/36/612201936.db2.gz XCIWYYLJRLTPPR-KSSFIOAISA-N 1 2 343.431 0.963 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000952066939 612210452 /nfs/dbraw/zinc/21/04/52/612210452.db2.gz KPIIIECEAGSRAM-FMKPAKJESA-N 1 2 346.431 0.959 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000951509974 612283652 /nfs/dbraw/zinc/28/36/52/612283652.db2.gz ASEXEKVDGDFZMA-ZDUSSCGKSA-N 1 2 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ZINC000954943096 612805020 /nfs/dbraw/zinc/80/50/20/612805020.db2.gz KDHBNKWLABSWMY-UHFFFAOYSA-N 1 2 336.395 0.927 20 30 ECEDLO C=CCCn1cc(C(=O)N(C)C2CN(C(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC000954381800 612885205 /nfs/dbraw/zinc/88/52/05/612885205.db2.gz QIEYXBPBUKZQIU-UHFFFAOYSA-N 1 2 343.391 0.103 20 30 ECEDLO CCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)CC1 ZINC000956572752 612914924 /nfs/dbraw/zinc/91/49/24/612914924.db2.gz RTNWJUPYWDEJRB-CQSZACIVSA-N 1 2 329.404 0.655 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC000956573990 612914976 /nfs/dbraw/zinc/91/49/76/612914976.db2.gz WCXBIFUWLKZLNK-IKGGRYGDSA-N 1 2 335.448 0.733 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCN(C(=O)C4CC4)C3)CC2)[nH]1 ZINC000956593371 612921222 /nfs/dbraw/zinc/92/12/22/612921222.db2.gz UBJFGBNBVKZLBB-OAHLLOKOSA-N 1 2 341.415 0.655 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CC(F)(F)F)C2)CC1 ZINC000956605401 612924492 /nfs/dbraw/zinc/92/44/92/612924492.db2.gz 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C=CC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2nc(CC(=O)NC)no2)C1 ZINC000969583952 731984625 /nfs/dbraw/zinc/98/46/25/731984625.db2.gz DJQIMWIDAFLOIX-LLVKDONJSA-N 1 2 335.408 0.261 20 30 ECEDLO C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001078079912 782270585 /nfs/dbraw/zinc/27/05/85/782270585.db2.gz PUDRPJGQRZSTLS-VXGBXAGGSA-N 1 2 343.225 0.331 20 30 ECEDLO C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)CNc1ccnc(C#N)n1 ZINC001104238067 732992084 /nfs/dbraw/zinc/99/20/84/732992084.db2.gz BRRGIFXTIBSTNL-STQMWFEESA-N 1 2 327.392 0.782 20 30 ECEDLO C=CCN1CC[C@H]([NH2+]C[C@H]2CCCCN2C(=O)Cc2ncn[nH]2)C1=O ZINC001025137202 738711595 /nfs/dbraw/zinc/71/15/95/738711595.db2.gz WBYIOMHPVFODJP-KGLIPLIRSA-N 1 2 346.435 0.105 20 30 ECEDLO C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000970764373 733926598 /nfs/dbraw/zinc/92/65/98/733926598.db2.gz SADUMQDLRFDDLC-BZNIZROVSA-N 1 2 344.390 0.912 20 30 ECEDLO C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC000970825129 733993527 /nfs/dbraw/zinc/99/35/27/733993527.db2.gz IEQJESKIXWXSJV-FZMZJTMJSA-N 1 2 329.828 0.423 20 30 ECEDLO C=CCCC(=O)NC[C@H]1CN(c2ncnc3c2C[N@H+](C)CC3)CCO1 ZINC001104309679 734206501 /nfs/dbraw/zinc/20/65/01/734206501.db2.gz FTVRNCGKLZVQML-AWEZNQCLSA-N 1 2 345.447 0.752 20 30 ECEDLO C=CCCC(=O)NC[C@H]1CN(c2ncnc3c2C[N@@H+](C)CC3)CCO1 ZINC001104309679 734206503 /nfs/dbraw/zinc/20/65/03/734206503.db2.gz FTVRNCGKLZVQML-AWEZNQCLSA-N 1 2 345.447 0.752 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)NC[C@H]1CN(c2ccc(C#N)nc2)CCO1 ZINC001104321550 734297263 /nfs/dbraw/zinc/29/72/63/734297263.db2.gz HOAMJJZUESXQRJ-INIZCTEOSA-N 1 2 340.387 0.251 20 30 ECEDLO CC#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CS(C)(=O)=O ZINC001025210324 738810891 /nfs/dbraw/zinc/81/08/91/738810891.db2.gz PPPFMKDRNSPRCM-HUUCEWRRSA-N 1 2 326.462 0.900 20 30 ECEDLO CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CS(C)(=O)=O ZINC001025210324 738810899 /nfs/dbraw/zinc/81/08/99/738810899.db2.gz PPPFMKDRNSPRCM-HUUCEWRRSA-N 1 2 326.462 0.900 20 30 ECEDLO 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/nfs/dbraw/zinc/28/27/94/790282794.db2.gz QHPIOCYDJYFXBW-SJORKVTESA-N 1 2 347.382 0.510 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccnc3ccncc32)[C@@H](n2ccnn2)C1 ZINC001069988285 790282800 /nfs/dbraw/zinc/28/28/00/790282800.db2.gz QHPIOCYDJYFXBW-SJORKVTESA-N 1 2 347.382 0.510 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(CC)nnc2C)[C@@H](n2ccnn2)C1 ZINC001069989520 790283919 /nfs/dbraw/zinc/28/39/19/790283919.db2.gz XHYRJUKVQCBXBV-CVEARBPZSA-N 1 2 339.403 0.227 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(CC)nnc2C)[C@@H](n2ccnn2)C1 ZINC001069989520 790283926 /nfs/dbraw/zinc/28/39/26/790283926.db2.gz XHYRJUKVQCBXBV-CVEARBPZSA-N 1 2 339.403 0.227 20 30 ECEDLO C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001041962888 782500978 /nfs/dbraw/zinc/50/09/78/782500978.db2.gz AKFAYSGPCZKWIR-CHWSQXEVSA-N 1 2 332.404 0.179 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000972349143 735985918 /nfs/dbraw/zinc/98/59/18/735985918.db2.gz QYZDMLKEDZBMDP-AXFHLTTASA-N 1 2 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0.908 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCn3cc(C)cn3)C2)C1 ZINC000972694639 737403700 /nfs/dbraw/zinc/40/37/00/737403700.db2.gz OFICIAKOOLCGRA-GOSISDBHSA-N 1 2 330.432 0.908 20 30 ECEDLO Cc1c[nH+]c2cc(C(=O)N[C@@H]3CN(C(=O)[C@H](C)C#N)C[C@H]3O)ccn12 ZINC001023842856 737437115 /nfs/dbraw/zinc/43/71/15/737437115.db2.gz JIFLVAGGOWZRIV-LERXQTSPSA-N 1 2 341.371 0.104 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3cn(C)nn3)C2)C1 ZINC000972705477 737515330 /nfs/dbraw/zinc/51/53/30/737515330.db2.gz YTMASSASHKOHKH-KRWDZBQOSA-N 1 2 331.420 0.074 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3cn(C)nn3)C2)C1 ZINC000972705477 737515332 /nfs/dbraw/zinc/51/53/32/737515332.db2.gz YTMASSASHKOHKH-KRWDZBQOSA-N 1 2 331.420 0.074 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3nnc4ccccc4n3)C2)nn1 ZINC001105283719 741641614 /nfs/dbraw/zinc/64/16/14/741641614.db2.gz VBOGFVZIDBRJKY-UHFFFAOYSA-N 1 2 348.370 0.036 20 30 ECEDLO C=CCCC(=O)N1CCO[C@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC001111939071 738256584 /nfs/dbraw/zinc/25/65/84/738256584.db2.gz PHZVNAQJFIGZFE-GFCCVEGCSA-N 1 2 330.392 0.969 20 30 ECEDLO C=CCOc1cccnc1C(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NC ZINC001024750251 738267177 /nfs/dbraw/zinc/26/71/77/738267177.db2.gz OPZBYGRACJTVSB-CQSZACIVSA-N 1 2 346.431 0.977 20 30 ECEDLO C=CCOc1cccnc1C(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NC ZINC001024750251 738267181 /nfs/dbraw/zinc/26/71/81/738267181.db2.gz OPZBYGRACJTVSB-CQSZACIVSA-N 1 2 346.431 0.977 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(F)F)C2)nn1 ZINC001098592255 738379379 /nfs/dbraw/zinc/37/93/79/738379379.db2.gz SWTZRFKFRPZWJM-GFCCVEGCSA-N 1 2 327.335 0.056 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2cc(OC)no2)nn1 ZINC001028188113 751421076 /nfs/dbraw/zinc/42/10/76/751421076.db2.gz UFAHQNWVBZXXSJ-LBPRGKRZSA-N 1 2 346.391 0.855 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cc(OC)no2)nn1 ZINC001028188113 751421080 /nfs/dbraw/zinc/42/10/80/751421080.db2.gz UFAHQNWVBZXXSJ-LBPRGKRZSA-N 1 2 346.391 0.855 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2cnc(C)nc2)nn1 ZINC001028188256 751423665 /nfs/dbraw/zinc/42/36/65/751423665.db2.gz YFAGGDNPGGUNQR-HNNXBMFYSA-N 1 2 341.419 0.957 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cnc(C)nc2)nn1 ZINC001028188256 751423668 /nfs/dbraw/zinc/42/36/68/751423668.db2.gz YFAGGDNPGGUNQR-HNNXBMFYSA-N 1 2 341.419 0.957 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCS(C)(=O)=O ZINC001028195120 751440772 /nfs/dbraw/zinc/44/07/72/751440772.db2.gz JKWHCLSQTJALTJ-KKUMJFAQSA-N 1 2 344.477 0.593 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCS(C)(=O)=O ZINC001028195120 751440776 /nfs/dbraw/zinc/44/07/76/751440776.db2.gz JKWHCLSQTJALTJ-KKUMJFAQSA-N 1 2 344.477 0.593 20 30 ECEDLO CN(C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)c1ccc(C#N)nn1 ZINC001058691613 740517748 /nfs/dbraw/zinc/51/77/48/740517748.db2.gz ADHVVNGMOMQPOY-AWEZNQCLSA-N 1 2 339.403 0.920 20 30 ECEDLO CN(C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)c1nccnc1C#N ZINC001058694897 740579930 /nfs/dbraw/zinc/57/99/30/740579930.db2.gz JCOBGGTZDPQGOL-CYBMUJFWSA-N 1 2 339.403 0.989 20 30 ECEDLO C[C@H](CC(=O)N(C)[C@@H](C)CNc1ccnc(C#N)n1)n1cc[nH+]c1 ZINC001104834480 740646271 /nfs/dbraw/zinc/64/62/71/740646271.db2.gz VOXQONLRLAGCCR-OLZOCXBDSA-N 1 2 327.392 0.877 20 30 ECEDLO C[C@@H](CNc1ccnc(C#N)n1)N(C)C(=O)CCc1[nH+]ccn1C ZINC001104892215 740832327 /nfs/dbraw/zinc/83/23/27/740832327.db2.gz JIAYOZFMKPOUSZ-LBPRGKRZSA-N 1 2 327.392 0.395 20 30 ECEDLO C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)CCc1[nH+]ccn1C ZINC001104892734 740833426 /nfs/dbraw/zinc/83/34/26/740833426.db2.gz RLNGNXWVPIQSSR-LBPRGKRZSA-N 1 2 327.392 0.973 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H](CNc1ccnc(C#N)n1)CC(C)C ZINC001104960634 741049460 /nfs/dbraw/zinc/04/94/60/741049460.db2.gz KSZIYXXZUITGIR-CYBMUJFWSA-N 1 2 341.419 0.987 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CSCC#N)C2)nn1 ZINC001098618606 741406170 /nfs/dbraw/zinc/40/61/70/741406170.db2.gz GGGQUISJCYVOPI-AWEZNQCLSA-N 1 2 332.433 0.421 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CC[C@@H]3CCOC3)C2)nn1 ZINC001105207347 741474170 /nfs/dbraw/zinc/47/41/70/741474170.db2.gz OYDRHZBLDCPDLI-CQSZACIVSA-N 1 2 331.420 0.591 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3csnc3C)C2)nn1 ZINC001105219504 741483980 /nfs/dbraw/zinc/48/39/80/741483980.db2.gz CFOMBTLOPAELAO-UHFFFAOYSA-N 1 2 330.417 0.853 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3nn(C)cc3C)C2)nn1 ZINC001105235466 741526924 /nfs/dbraw/zinc/52/69/24/741526924.db2.gz GRFDVKRLXOBXQP-UHFFFAOYSA-N 1 2 327.392 0.130 20 30 ECEDLO C=C(C)CCC(=O)N1CC(n2cc(C[NH2+][C@@H](CC)C(N)=O)nn2)C1 ZINC001105253719 741567055 /nfs/dbraw/zinc/56/70/55/741567055.db2.gz BEYVUJUJKFVEOO-AWEZNQCLSA-N 1 2 334.424 0.371 20 30 ECEDLO C=CC[NH2+]C1CCC(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 ZINC001026577798 741571688 /nfs/dbraw/zinc/57/16/88/741571688.db2.gz BACOWWHKFZUZHK-UHFFFAOYSA-N 1 2 330.392 0.274 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CCC[C@@H](OC)C3)C2)nn1 ZINC001105259511 741581158 /nfs/dbraw/zinc/58/11/58/741581158.db2.gz BEDVIELQADDRRF-WMLDXEAASA-N 1 2 345.447 0.980 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(C(C)(C)C)c3)C2)nn1 ZINC001105276640 741629911 /nfs/dbraw/zinc/62/99/11/741629911.db2.gz NOANBONLRXILQB-UHFFFAOYSA-N 1 2 341.419 0.650 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc4cnccc4o3)C2)nn1 ZINC001105276626 741630016 /nfs/dbraw/zinc/63/00/16/741630016.db2.gz MVVDWRDYRQJFCS-UHFFFAOYSA-N 1 2 336.355 0.839 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3coc(OCC)n3)C2)nn1 ZINC001105276702 741630649 /nfs/dbraw/zinc/63/06/49/741630649.db2.gz RFDHVGVKRBMBML-UHFFFAOYSA-N 1 2 344.375 0.475 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccnc3C3CC3)C2)nn1 ZINC001105278636 741634185 /nfs/dbraw/zinc/63/41/85/741634185.db2.gz OVUNZBNADNWTBO-UHFFFAOYSA-N 1 2 336.399 0.970 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3nc(C)cs3)C2)nn1 ZINC001105283881 741642008 /nfs/dbraw/zinc/64/20/08/741642008.db2.gz XGVGUVQELUITRO-UHFFFAOYSA-N 1 2 344.444 0.782 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N(CCO)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001058728368 741691442 /nfs/dbraw/zinc/69/14/42/741691442.db2.gz RJHBRIYNHVCMET-KRWDZBQOSA-N 1 2 336.436 0.882 20 30 ECEDLO C=CCCCC(=O)N1CC(n2cc(C[NH2+]CC(=O)NCCC)nn2)C1 ZINC001105317021 741750800 /nfs/dbraw/zinc/75/08/00/741750800.db2.gz DIGSRIALFYIVQD-UHFFFAOYSA-N 1 2 348.451 0.634 20 30 ECEDLO C=CCCCC(=O)N1CC(n2cc(C[NH2+][C@H]3CCCNC3=O)nn2)C1 ZINC001105317048 741751520 /nfs/dbraw/zinc/75/15/20/741751520.db2.gz FUEBVYYBMWUCOO-HNNXBMFYSA-N 1 2 346.435 0.386 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3cc(C)on3)C2)nn1 ZINC001105325698 741796249 /nfs/dbraw/zinc/79/62/49/741796249.db2.gz XJFKTNQPYGXVAG-UHFFFAOYSA-N 1 2 328.376 0.313 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ocnc3CC)C2)nn1 ZINC001105325643 741802569 /nfs/dbraw/zinc/80/25/69/741802569.db2.gz VGTJPYLBRRHXKZ-UHFFFAOYSA-N 1 2 328.376 0.639 20 30 ECEDLO CN(CCN(C)c1ncnc2c1C[N@H+](C)CC2)C(=O)CSCC#N ZINC001105329271 741824885 /nfs/dbraw/zinc/82/48/85/741824885.db2.gz YOOXSNKQMRXHDZ-UHFFFAOYSA-N 1 2 348.476 0.616 20 30 ECEDLO CN(CCN(C)c1ncnc2c1C[N@@H+](C)CC2)C(=O)CSCC#N ZINC001105329271 741824889 /nfs/dbraw/zinc/82/48/89/741824889.db2.gz YOOXSNKQMRXHDZ-UHFFFAOYSA-N 1 2 348.476 0.616 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnon2)CC1(C)C ZINC000974687134 742003280 /nfs/dbraw/zinc/00/32/80/742003280.db2.gz QYIXSZLEVPEHNC-LSDHHAIUSA-N 1 2 331.420 0.494 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnon2)CC1(C)C ZINC000974687134 742003283 /nfs/dbraw/zinc/00/32/83/742003283.db2.gz QYIXSZLEVPEHNC-LSDHHAIUSA-N 1 2 331.420 0.494 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2ncccn2)CC1(C)C ZINC000974688669 742008563 /nfs/dbraw/zinc/00/85/63/742008563.db2.gz BSXYVWSEOBMACR-HOTGVXAUSA-N 1 2 341.459 0.901 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2ncccn2)CC1(C)C ZINC000974688669 742008568 /nfs/dbraw/zinc/00/85/68/742008568.db2.gz BSXYVWSEOBMACR-HOTGVXAUSA-N 1 2 341.459 0.901 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2nncs2)CC1(C)C ZINC000974683013 742010812 /nfs/dbraw/zinc/01/08/12/742010812.db2.gz ARRRWZGGXFLNBI-KBPBESRZSA-N 1 2 347.488 0.962 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(Cc2nncs2)CC1(C)C ZINC000974683013 742010815 /nfs/dbraw/zinc/01/08/15/742010815.db2.gz ARRRWZGGXFLNBI-KBPBESRZSA-N 1 2 347.488 0.962 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H](CNc1ccnc(C#N)n1)C(C)(C)C ZINC001125964360 742142493 /nfs/dbraw/zinc/14/24/93/742142493.db2.gz PEKPEYJAULFMIJ-ZDUSSCGKSA-N 1 2 341.419 0.689 20 30 ECEDLO C#CCOc1ncccc1C(=O)NC[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC001028937801 742926160 /nfs/dbraw/zinc/92/61/60/742926160.db2.gz RYJBONYZPMUJPS-CYBMUJFWSA-N 1 2 341.371 0.729 20 30 ECEDLO C#CCOc1ncccc1C(=O)NC[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001028937801 742926165 /nfs/dbraw/zinc/92/61/65/742926165.db2.gz RYJBONYZPMUJPS-CYBMUJFWSA-N 1 2 341.371 0.729 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)nc1 ZINC000997091883 743223114 /nfs/dbraw/zinc/22/31/14/743223114.db2.gz CQGJFORXFDTGAV-CQSZACIVSA-N 1 2 349.394 0.463 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)nc1 ZINC000997092920 743225109 /nfs/dbraw/zinc/22/51/09/743225109.db2.gz KXUDQJIUCRJBSL-AWEZNQCLSA-N 1 2 349.394 0.463 20 30 ECEDLO Cn1cc(C[N@H+](C)[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001027372430 744021623 /nfs/dbraw/zinc/02/16/23/744021623.db2.gz SDIRCDRKEMSOQJ-AWEZNQCLSA-N 1 2 327.392 0.751 20 30 ECEDLO Cn1cc(C[N@@H+](C)[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001027372430 744021626 /nfs/dbraw/zinc/02/16/26/744021626.db2.gz SDIRCDRKEMSOQJ-AWEZNQCLSA-N 1 2 327.392 0.751 20 30 ECEDLO CC(C)(C(=O)N1CC[C@H](Nc2ccnc(C#N)n2)C1)c1c[nH+]c[nH]1 ZINC001058930848 751891482 /nfs/dbraw/zinc/89/14/82/751891482.db2.gz JHYOQMGHTORVNT-NSHDSACASA-N 1 2 325.376 0.484 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]21 ZINC000977215776 744795146 /nfs/dbraw/zinc/79/51/46/744795146.db2.gz SCIGSIPASVLPJL-KDEOKCCVSA-N 1 2 344.415 0.127 20 30 ECEDLO CN(CC#N)[C@@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001027505778 744865601 /nfs/dbraw/zinc/86/56/01/744865601.db2.gz PYMLTELBEYTHQW-SJORKVTESA-N 1 2 334.464 0.934 20 30 ECEDLO CN(CC#N)[C@@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001027505778 744865602 /nfs/dbraw/zinc/86/56/02/744865602.db2.gz PYMLTELBEYTHQW-SJORKVTESA-N 1 2 334.464 0.934 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccccc3N(C)C)C2)nn1 ZINC001105382873 745003400 /nfs/dbraw/zinc/00/34/00/745003400.db2.gz OGCOBKQIDVZOLY-UHFFFAOYSA-N 1 2 338.415 0.764 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2COC(=O)C2)[C@@H](O)C1 ZINC001083406987 745009302 /nfs/dbraw/zinc/00/93/02/745009302.db2.gz DWDFKZSJDLOBSA-MAZHCROVSA-N 1 2 343.383 0.173 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1C[C@@H](NC(=O)C[C@@H]2COC(=O)C2)[C@@H](O)C1 ZINC001083406987 745009308 /nfs/dbraw/zinc/00/93/08/745009308.db2.gz DWDFKZSJDLOBSA-MAZHCROVSA-N 1 2 343.383 0.173 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cnc(C)[nH]1 ZINC000977469840 745058503 /nfs/dbraw/zinc/05/85/03/745058503.db2.gz XCXJVBUODZMRGD-HOCLYGCPSA-N 1 2 343.431 0.489 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1cnc(C)[nH]1 ZINC000977469840 745058509 /nfs/dbraw/zinc/05/85/09/745058509.db2.gz XCXJVBUODZMRGD-HOCLYGCPSA-N 1 2 343.431 0.489 20 30 ECEDLO C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3[nH]nc(C)c3C)nn2)C1 ZINC000999961167 745103609 /nfs/dbraw/zinc/10/36/09/745103609.db2.gz HZEFTTJKLDJTCG-CQSZACIVSA-N 1 2 329.408 0.981 20 30 ECEDLO C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3[nH]nc(C)c3C)nn2)C1 ZINC000999961167 745103613 /nfs/dbraw/zinc/10/36/13/745103613.db2.gz HZEFTTJKLDJTCG-CQSZACIVSA-N 1 2 329.408 0.981 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cnnn3C)CC2(C)C)nc1 ZINC000977514326 745134600 /nfs/dbraw/zinc/13/46/00/745134600.db2.gz ORRIYQAJJCOTGL-MRXNPFEDSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cnnn3C)CC2(C)C)nc1 ZINC000977514326 745134608 /nfs/dbraw/zinc/13/46/08/745134608.db2.gz ORRIYQAJJCOTGL-MRXNPFEDSA-N 1 2 338.415 0.832 20 30 ECEDLO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001058785328 745157085 /nfs/dbraw/zinc/15/70/85/745157085.db2.gz WWQZDKBHNIIALX-CYBMUJFWSA-N 1 2 348.447 0.979 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)c1 ZINC001000009531 745177752 /nfs/dbraw/zinc/17/77/52/745177752.db2.gz RCSCLSNTHUJEAE-HZPDHXFCSA-N 1 2 349.394 0.541 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)C(C)(C)C1 ZINC000977562877 745205742 /nfs/dbraw/zinc/20/57/42/745205742.db2.gz BAMPDUOROFJGPW-LLVKDONJSA-N 1 2 327.812 0.715 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CN2C(=O)CCC2=O)C(C)(C)C1 ZINC000977562877 745205743 /nfs/dbraw/zinc/20/57/43/745205743.db2.gz BAMPDUOROFJGPW-LLVKDONJSA-N 1 2 327.812 0.715 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)c3cnn(C)c3)C2)nn1 ZINC001105384262 745248789 /nfs/dbraw/zinc/24/87/89/745248789.db2.gz DTGKREUXENFDRS-CYBMUJFWSA-N 1 2 341.419 0.312 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC001000232459 745369390 /nfs/dbraw/zinc/36/93/90/745369390.db2.gz OJASDGZLZONVPY-MCIONIFRSA-N 1 2 349.435 0.807 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001029245673 745432035 /nfs/dbraw/zinc/43/20/35/745432035.db2.gz YUOFDFFXHWDPQK-LJISPDSOSA-N 1 2 339.461 0.646 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H]1CCS(=O)(=O)C1 ZINC001029245673 745432038 /nfs/dbraw/zinc/43/20/38/745432038.db2.gz YUOFDFFXHWDPQK-LJISPDSOSA-N 1 2 339.461 0.646 20 30 ECEDLO N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N2CCC2)[nH]1 ZINC001029273632 745497324 /nfs/dbraw/zinc/49/73/24/745497324.db2.gz BCUQBILHNJIHEU-OKILXGFUSA-N 1 2 327.388 0.407 20 30 ECEDLO N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N2CCC2)[nH]1 ZINC001029273632 745497327 /nfs/dbraw/zinc/49/73/27/745497327.db2.gz BCUQBILHNJIHEU-OKILXGFUSA-N 1 2 327.388 0.407 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC[C@H]([N@@H+](C)Cc3cn(C)nn3)C2)c1 ZINC001027569038 745608381 /nfs/dbraw/zinc/60/83/81/745608381.db2.gz YHJCYUAUDADLAI-KRWDZBQOSA-N 1 2 338.415 0.928 20 30 ECEDLO C#Cc1cncc(C(=O)N2CCC[C@H]([N@H+](C)Cc3cn(C)nn3)C2)c1 ZINC001027569038 745608385 /nfs/dbraw/zinc/60/83/85/745608385.db2.gz YHJCYUAUDADLAI-KRWDZBQOSA-N 1 2 338.415 0.928 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ncn[nH]3)[C@H]2CC)C1=O ZINC001087767502 746306121 /nfs/dbraw/zinc/30/61/21/746306121.db2.gz FUJUFBFHSQDCQN-YNEHKIRRSA-N 1 2 332.408 0.174 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)c3ncn[nH]3)[C@H]2CC)C1=O ZINC001087767502 746306128 /nfs/dbraw/zinc/30/61/28/746306128.db2.gz FUJUFBFHSQDCQN-YNEHKIRRSA-N 1 2 332.408 0.174 20 30 ECEDLO C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H]1CC ZINC001087765677 746307650 /nfs/dbraw/zinc/30/76/50/746307650.db2.gz LZTMHEDFRUNEKJ-UONOGXRCSA-N 1 2 344.419 0.616 20 30 ECEDLO C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H]1CC ZINC001087765677 746307653 /nfs/dbraw/zinc/30/76/53/746307653.db2.gz LZTMHEDFRUNEKJ-UONOGXRCSA-N 1 2 344.419 0.616 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000984349572 746329726 /nfs/dbraw/zinc/32/97/26/746329726.db2.gz AMBBQQOPLMNZSW-AWEZNQCLSA-N 1 2 340.387 0.846 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3ncccc3F)C2)nn1 ZINC001098705921 746355677 /nfs/dbraw/zinc/35/56/77/746355677.db2.gz MZXUPRCTQKJMAK-CQSZACIVSA-N 1 2 342.378 0.551 20 30 ECEDLO O=C([C@H]1CNC(=O)N1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001029449174 746536884 /nfs/dbraw/zinc/53/68/84/746536884.db2.gz UTCYVLWRUCKSTG-IXDOHACOSA-N 1 2 338.411 0.395 20 30 ECEDLO O=C([C@H]1CNC(=O)N1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001029449174 746536886 /nfs/dbraw/zinc/53/68/86/746536886.db2.gz UTCYVLWRUCKSTG-IXDOHACOSA-N 1 2 338.411 0.395 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H](C)OC)[C@H](OC)C2)cc1C#N ZINC001211956606 752110390 /nfs/dbraw/zinc/11/03/90/752110390.db2.gz FDIIUVXUAAHTGD-XGWLTEMNSA-N 1 2 347.415 0.917 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H](C)OC)[C@H](OC)C2)cc1C#N ZINC001211956606 752110392 /nfs/dbraw/zinc/11/03/92/752110392.db2.gz FDIIUVXUAAHTGD-XGWLTEMNSA-N 1 2 347.415 0.917 20 30 ECEDLO N#Cc1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4cnon4)CC[C@@H]3C2)c[nH]1 ZINC001087941130 746696077 /nfs/dbraw/zinc/69/60/77/746696077.db2.gz NLSFJWUDNMGHLI-YPMHNXCESA-N 1 2 326.360 0.863 20 30 ECEDLO N#Cc1cc(C(=O)N2C[C@@H]3C[N@H+](Cc4cnon4)CC[C@@H]3C2)c[nH]1 ZINC001087941130 746696081 /nfs/dbraw/zinc/69/60/81/746696081.db2.gz NLSFJWUDNMGHLI-YPMHNXCESA-N 1 2 326.360 0.863 20 30 ECEDLO C=CCn1cc(C(=O)NCC2CC[NH+](Cc3cnon3)CC2)nn1 ZINC001001919399 746806986 /nfs/dbraw/zinc/80/69/86/746806986.db2.gz SIXKRCKKPLHDAG-UHFFFAOYSA-N 1 2 331.380 0.489 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)/C(C)=C/CC)[C@H](OC)C2)C1=O ZINC001211967607 752133027 /nfs/dbraw/zinc/13/30/27/752133027.db2.gz NSUYWDYPBVXZIE-JYYYYETFSA-N 1 2 335.448 0.945 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)/C(C)=C/CC)[C@H](OC)C2)C1=O ZINC001211967607 752133032 /nfs/dbraw/zinc/13/30/32/752133032.db2.gz NSUYWDYPBVXZIE-JYYYYETFSA-N 1 2 335.448 0.945 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC000979274198 747516916 /nfs/dbraw/zinc/51/69/16/747516916.db2.gz GDAUNLTUICXMDN-FZNQNYSPSA-N 1 2 337.383 0.584 20 30 ECEDLO C[C@@H](c1nncn1C)[NH+]1CCC(NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001002620629 747581509 /nfs/dbraw/zinc/58/15/09/747581509.db2.gz NTPDJCOFKCRFIO-NSHDSACASA-N 1 2 327.392 0.970 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCO2)[C@@H](O)C1 ZINC001083326556 752198057 /nfs/dbraw/zinc/19/80/57/752198057.db2.gz HOZDHNLFMSLSAM-VYDXJSESSA-N 1 2 345.399 0.407 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCO2)[C@@H](O)C1 ZINC001083326556 752198059 /nfs/dbraw/zinc/19/80/59/752198059.db2.gz HOZDHNLFMSLSAM-VYDXJSESSA-N 1 2 345.399 0.407 20 30 ECEDLO C=CCCO[C@H](C)C(=O)NCC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001075848137 747813706 /nfs/dbraw/zinc/81/37/06/747813706.db2.gz SNZOTAIDOYDVIY-UONOGXRCSA-N 1 2 336.436 0.955 20 30 ECEDLO COCc1noc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000988500483 752215383 /nfs/dbraw/zinc/21/53/83/752215383.db2.gz KCTRSAINDJWJLG-ZYHUDNBSSA-N 1 2 344.375 0.809 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001002898292 747931860 /nfs/dbraw/zinc/93/18/60/747931860.db2.gz CLCYVHWRSAHDCJ-ZNMIVQPWSA-N 1 2 346.431 0.993 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000979654982 748165303 /nfs/dbraw/zinc/16/53/03/748165303.db2.gz HLZLUUAIJQDGGS-AULYBMBSSA-N 1 2 340.387 0.785 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CC[C@@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001059555829 748330468 /nfs/dbraw/zinc/33/04/68/748330468.db2.gz XPZXHTXMRQIYMF-KDOFPFPSSA-N 1 2 348.447 0.645 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001059561577 748429570 /nfs/dbraw/zinc/42/95/70/748429570.db2.gz YLJKMJOTJYROQB-GJZGRUSLSA-N 1 2 346.431 0.735 20 30 ECEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2CCNC2=O)CC1 ZINC001003430026 748546889 /nfs/dbraw/zinc/54/68/89/748546889.db2.gz VJAGMPLNZMEPTK-NSHDSACASA-N 1 2 330.226 0.612 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cn1 ZINC000980080571 748949147 /nfs/dbraw/zinc/94/91/47/748949147.db2.gz GFGHMQSFYRQOSM-NNUKFRKNSA-N 1 2 337.383 0.653 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001059646466 749100699 /nfs/dbraw/zinc/10/06/99/749100699.db2.gz RYCXRQNKEQFOLR-HNNXBMFYSA-N 1 2 346.431 0.357 20 30 ECEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ccn3nnnc3c2)CC1 ZINC001004504245 749576754 /nfs/dbraw/zinc/57/67/54/749576754.db2.gz BYFFGFVRFNOVML-HNNXBMFYSA-N 1 2 339.403 0.964 20 30 ECEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ccn3nnnc3c2)CC1 ZINC001004504245 749576757 /nfs/dbraw/zinc/57/67/57/749576757.db2.gz BYFFGFVRFNOVML-HNNXBMFYSA-N 1 2 339.403 0.964 20 30 ECEDLO C[C@H]1[C@@H]([NH2+]Cc2nnn(C(C)(C)C)n2)CCN1C(=O)C#CC1CC1 ZINC000986287433 749755646 /nfs/dbraw/zinc/75/56/46/749755646.db2.gz RMQRPKFUKGAVJO-JSGCOSHPSA-N 1 2 330.436 0.921 20 30 ECEDLO C=CCn1cccc1C(=O)N1CC[C@H]([NH2+]Cc2nnn(C)n2)[C@@H]1C ZINC000986362368 749823666 /nfs/dbraw/zinc/82/36/66/749823666.db2.gz FRJYGFFDFVGZFO-STQMWFEESA-N 1 2 329.408 0.590 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3cc(CC)n[nH]3)CC2)C1=O ZINC000980738267 750073291 /nfs/dbraw/zinc/07/32/91/750073291.db2.gz VPVBQNCKRODTEX-MRXNPFEDSA-N 1 2 345.447 0.907 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3cc(CC)n[nH]3)CC2)C1=O ZINC000980738267 750073294 /nfs/dbraw/zinc/07/32/94/750073294.db2.gz VPVBQNCKRODTEX-MRXNPFEDSA-N 1 2 345.447 0.907 20 30 ECEDLO CN(CCN(C)c1cncc(C#N)n1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001105434210 750084186 /nfs/dbraw/zinc/08/41/86/750084186.db2.gz LTLFXXMQPXZFGN-UHFFFAOYSA-N 1 2 346.435 0.354 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3cn(C)cn3)CC2)C1=O ZINC000980970852 750418590 /nfs/dbraw/zinc/41/85/90/750418590.db2.gz CHDIWSOXHJUDEW-HNNXBMFYSA-N 1 2 331.420 0.355 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3cn(C)cn3)CC2)C1=O ZINC000980970852 750418595 /nfs/dbraw/zinc/41/85/95/750418595.db2.gz CHDIWSOXHJUDEW-HNNXBMFYSA-N 1 2 331.420 0.355 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC3CCOCC3)C2)nn1 ZINC001098640108 750469126 /nfs/dbraw/zinc/46/91/26/750469126.db2.gz DMJBSYBHYDEJDS-INIZCTEOSA-N 1 2 331.420 0.591 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001028073722 750508384 /nfs/dbraw/zinc/50/83/84/750508384.db2.gz WZRQRPTZKAWYJY-JKSUJKDBSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCNC1=O ZINC001028073722 750508385 /nfs/dbraw/zinc/50/83/85/750508385.db2.gz WZRQRPTZKAWYJY-JKSUJKDBSA-N 1 2 344.390 0.914 20 30 ECEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001028076794 750536739 /nfs/dbraw/zinc/53/67/39/750536739.db2.gz XWOOOMZBYAVGRD-MNOVXSKESA-N 1 2 345.241 0.499 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001028076794 750536741 /nfs/dbraw/zinc/53/67/41/750536741.db2.gz XWOOOMZBYAVGRD-MNOVXSKESA-N 1 2 345.241 0.499 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+]Cc3nc(C)no3)[C@H]2C)nn1 ZINC000987168072 750561623 /nfs/dbraw/zinc/56/16/23/750561623.db2.gz LHRPYSTZGVGIKV-DGCLKSJQSA-N 1 2 345.407 0.938 20 30 ECEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCN(C)C1=O ZINC001028084424 750590197 /nfs/dbraw/zinc/59/01/97/750590197.db2.gz MGBSGLWIOBJQRV-NEPJUHHUSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCN(C)C1=O ZINC001028084424 750590201 /nfs/dbraw/zinc/59/02/01/750590201.db2.gz MGBSGLWIOBJQRV-NEPJUHHUSA-N 1 2 344.253 0.954 20 30 ECEDLO C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC000981395138 750659219 /nfs/dbraw/zinc/65/92/19/750659219.db2.gz JHJVXWKBTRMLFG-NWDGAFQWSA-N 1 2 330.392 0.274 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000981501317 750745876 /nfs/dbraw/zinc/74/58/76/750745876.db2.gz OTYLWCBEXALKDD-UHFFFAOYSA-N 1 2 328.844 0.047 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000981501317 750745878 /nfs/dbraw/zinc/74/58/78/750745878.db2.gz OTYLWCBEXALKDD-UHFFFAOYSA-N 1 2 328.844 0.047 20 30 ECEDLO C#CC[N@H+]1CCCC2(CN(C(=O)c3coc(S(C)(=O)=O)c3)C2)C1 ZINC000981782684 751102728 /nfs/dbraw/zinc/10/27/28/751102728.db2.gz JWMCJAGPODAUFY-UHFFFAOYSA-N 1 2 336.413 0.854 20 30 ECEDLO C#CC[N@@H+]1CCCC2(CN(C(=O)c3coc(S(C)(=O)=O)c3)C2)C1 ZINC000981782684 751102733 /nfs/dbraw/zinc/10/27/33/751102733.db2.gz JWMCJAGPODAUFY-UHFFFAOYSA-N 1 2 336.413 0.854 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H](OC)C(F)(F)F)C2)nn1 ZINC001105358323 751193709 /nfs/dbraw/zinc/19/37/09/751193709.db2.gz WMSPBBCUVCSUIX-GFCCVEGCSA-N 1 2 345.325 0.352 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3n[nH]cc3F)CC2)C1=O ZINC000981900222 751256973 /nfs/dbraw/zinc/25/69/73/751256973.db2.gz QPJHMKUDFLMJFV-ZDUSSCGKSA-N 1 2 335.383 0.484 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3n[nH]cc3F)CC2)C1=O ZINC000981900222 751256978 /nfs/dbraw/zinc/25/69/78/751256978.db2.gz QPJHMKUDFLMJFV-ZDUSSCGKSA-N 1 2 335.383 0.484 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1cc[nH+]c1 ZINC001006389801 751334916 /nfs/dbraw/zinc/33/49/16/751334916.db2.gz SMSBFOCNOYRKRZ-SUJAAXHWSA-N 1 2 344.415 0.722 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](NC(=O)Cn3ncnn3)C2)c1 ZINC001007347241 752314309 /nfs/dbraw/zinc/31/43/09/752314309.db2.gz YLELPHQJAHSIAZ-CQSZACIVSA-N 1 2 343.366 0.465 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](NC(=O)Cn3ncnn3)C2)c1 ZINC001007347241 752314315 /nfs/dbraw/zinc/31/43/15/752314315.db2.gz YLELPHQJAHSIAZ-CQSZACIVSA-N 1 2 343.366 0.465 20 30 ECEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NCC)C[C@H]1OC ZINC001211997098 752336807 /nfs/dbraw/zinc/33/68/07/752336807.db2.gz GXNGFBPQIKHYMK-YNEHKIRRSA-N 1 2 340.424 0.002 20 30 ECEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NCC)C[C@H]1OC ZINC001211997098 752336816 /nfs/dbraw/zinc/33/68/16/752336816.db2.gz GXNGFBPQIKHYMK-YNEHKIRRSA-N 1 2 340.424 0.002 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC)nc2)C[C@H]1OC ZINC001212030082 752428018 /nfs/dbraw/zinc/42/80/18/752428018.db2.gz SCTWIBRRPNSROK-HUUCEWRRSA-N 1 2 335.404 0.608 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](Cc2ccc(OC)nc2)C[C@H]1OC ZINC001212030082 752428023 /nfs/dbraw/zinc/42/80/23/752428023.db2.gz SCTWIBRRPNSROK-HUUCEWRRSA-N 1 2 335.404 0.608 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCCC(=O)N(C)C)C2)nn1 ZINC001105365438 752446005 /nfs/dbraw/zinc/44/60/05/752446005.db2.gz SJTQDHBUQGUBPB-UHFFFAOYSA-N 1 2 346.435 0.033 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccc(OC)c3)C2)nn1 ZINC001105366210 752462178 /nfs/dbraw/zinc/46/21/78/752462178.db2.gz BNLAWMXYHZRASP-UHFFFAOYSA-N 1 2 325.372 0.707 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCN1C(=O)C#CC1CC1 ZINC000988716830 752604948 /nfs/dbraw/zinc/60/49/48/752604948.db2.gz XRGZQIZTAZOFFM-UNEWFSDZSA-N 1 2 340.427 0.965 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC3(F)F)[C@@H](O)C2)s1 ZINC001083448137 752609561 /nfs/dbraw/zinc/60/95/61/752609561.db2.gz AOXNGIHUZHAHAO-TUAOUCFPSA-N 1 2 327.356 0.936 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC3(F)F)[C@@H](O)C2)s1 ZINC001083448137 752609564 /nfs/dbraw/zinc/60/95/64/752609564.db2.gz AOXNGIHUZHAHAO-TUAOUCFPSA-N 1 2 327.356 0.936 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCN1C(=O)C#CC1CC1 ZINC000988725047 752622400 /nfs/dbraw/zinc/62/24/00/752622400.db2.gz KWOVBERPCJYRHZ-KMFMINBZSA-N 1 2 340.427 0.965 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCc2ccoc2)[C@H](OC)C1 ZINC001212097183 752721000 /nfs/dbraw/zinc/72/10/00/752721000.db2.gz OXIVHKVVONKHQT-NUEKZKHPSA-N 1 2 349.431 0.718 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2ccoc2)[C@H](OC)C1 ZINC001212097183 752721007 /nfs/dbraw/zinc/72/10/07/752721007.db2.gz OXIVHKVVONKHQT-NUEKZKHPSA-N 1 2 349.431 0.718 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC2CCCC2)[C@H](OC)C1 ZINC001211787428 752736447 /nfs/dbraw/zinc/73/64/47/752736447.db2.gz JOKKRSYDQHOPGA-NUEKZKHPSA-N 1 2 335.448 0.520 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC2CCCC2)[C@H](OC)C1 ZINC001211787428 752736452 /nfs/dbraw/zinc/73/64/52/752736452.db2.gz JOKKRSYDQHOPGA-NUEKZKHPSA-N 1 2 335.448 0.520 20 30 ECEDLO N#Cc1cnc(N[C@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)cn1 ZINC001058993961 752781700 /nfs/dbraw/zinc/78/17/00/752781700.db2.gz UJGDDDRBXQNWFO-OLZOCXBDSA-N 1 2 337.387 0.820 20 30 ECEDLO CCc1nnc(C[N@@H+]2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1C ZINC001028488983 752825697 /nfs/dbraw/zinc/82/56/97/752825697.db2.gz PKFJAZGNKWDFOL-LBPRGKRZSA-N 1 2 341.419 0.829 20 30 ECEDLO CCc1nnc(C[N@H+]2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1C ZINC001028488983 752825707 /nfs/dbraw/zinc/82/57/07/752825707.db2.gz PKFJAZGNKWDFOL-LBPRGKRZSA-N 1 2 341.419 0.829 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cn([C@@H](C)COC)nc2C)[C@@H](O)C1 ZINC001083460820 752886620 /nfs/dbraw/zinc/88/66/20/752886620.db2.gz ZZSOXFLUOVBINW-MAZHCROVSA-N 1 2 334.420 0.197 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cn([C@@H](C)COC)nc2C)[C@@H](O)C1 ZINC001083460820 752886624 /nfs/dbraw/zinc/88/66/24/752886624.db2.gz ZZSOXFLUOVBINW-MAZHCROVSA-N 1 2 334.420 0.197 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1nnc([C@@H]2CCCOC2)o1 ZINC001126377954 753035739 /nfs/dbraw/zinc/03/57/39/753035739.db2.gz HAAKINCITSGXAP-WBMJQRKESA-N 1 2 338.408 0.497 20 30 ECEDLO CCOc1nnc(C[NH2+]C[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)s1 ZINC001051489207 762187901 /nfs/dbraw/zinc/18/79/01/762187901.db2.gz YKEGNZVRZWRSMM-MNOVXSKESA-N 1 2 339.421 0.413 20 30 ECEDLO CCOc1nnc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)s1 ZINC001051489206 762188066 /nfs/dbraw/zinc/18/80/66/762188066.db2.gz YKEGNZVRZWRSMM-GHMZBOCLSA-N 1 2 339.421 0.413 20 30 ECEDLO CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001008050880 753241504 /nfs/dbraw/zinc/24/15/04/753241504.db2.gz AGCMNKVJYZSYBS-ZDUSSCGKSA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC001051495100 762207516 /nfs/dbraw/zinc/20/75/16/762207516.db2.gz QSZHOIJFRCTEDT-NEPJUHHUSA-N 1 2 335.408 0.844 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2nc(C3CCC3)no2)C1 ZINC001051495174 762208029 /nfs/dbraw/zinc/20/80/29/762208029.db2.gz RMVDJNGZFBNZGC-DGCLKSJQSA-N 1 2 333.392 0.814 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C)nc1 ZINC000989167151 753417952 /nfs/dbraw/zinc/41/79/52/753417952.db2.gz RINCREJGXVSWGC-DOMZBBRYSA-N 1 2 337.383 0.748 20 30 ECEDLO Cn1nnc(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC001008211745 753467845 /nfs/dbraw/zinc/46/78/45/753467845.db2.gz DYKBLFJIVCLNFX-OAHLLOKOSA-N 1 2 342.378 0.595 20 30 ECEDLO Cn1nnc(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC001008211745 753467847 /nfs/dbraw/zinc/46/78/47/753467847.db2.gz DYKBLFJIVCLNFX-OAHLLOKOSA-N 1 2 342.378 0.595 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)c3cscn3)[C@@H](O)C2)c1 ZINC001083364715 753693802 /nfs/dbraw/zinc/69/38/02/753693802.db2.gz CBGJBSFICNBBPY-HIFRSBDPSA-N 1 2 328.397 0.990 20 30 ECEDLO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)c3cscn3)[C@@H](O)C2)c1 ZINC001083364715 753693807 /nfs/dbraw/zinc/69/38/07/753693807.db2.gz CBGJBSFICNBBPY-HIFRSBDPSA-N 1 2 328.397 0.990 20 30 ECEDLO C#CCOCCC(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001059972230 753740649 /nfs/dbraw/zinc/74/06/49/753740649.db2.gz KNFSTZGBENVQBH-OAHLLOKOSA-N 1 2 346.431 0.357 20 30 ECEDLO C=CCO[C@H](C)C(=O)NCC[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001059972433 753743146 /nfs/dbraw/zinc/74/31/46/753743146.db2.gz MORHOQUQJKZYRR-CABCVRRESA-N 1 2 348.447 0.909 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3n[nH]cc3F)C2)C1=O ZINC001008446229 753751384 /nfs/dbraw/zinc/75/13/84/753751384.db2.gz CJVVYIOXQBKUEL-AAEUAGOBSA-N 1 2 335.383 0.530 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3n[nH]cc3F)C2)C1=O ZINC001008446229 753751391 /nfs/dbraw/zinc/75/13/91/753751391.db2.gz CJVVYIOXQBKUEL-AAEUAGOBSA-N 1 2 335.383 0.530 20 30 ECEDLO Cc1nsc(C)c1C[N@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001083392327 753793473 /nfs/dbraw/zinc/79/34/73/753793473.db2.gz CNCFNXWMTVPCLU-CABCVRRESA-N 1 2 345.428 0.935 20 30 ECEDLO Cc1nsc(C)c1C[N@@H+]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](O)C1 ZINC001083392327 753793477 /nfs/dbraw/zinc/79/34/77/753793477.db2.gz CNCFNXWMTVPCLU-CABCVRRESA-N 1 2 345.428 0.935 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(C)oc2C)[C@H](OC)C1 ZINC001211838237 753817179 /nfs/dbraw/zinc/81/71/79/753817179.db2.gz IOZATUXETHXSDU-APHBMKBZSA-N 1 2 347.415 0.463 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(C)oc2C)[C@H](OC)C1 ZINC001211838237 753817184 /nfs/dbraw/zinc/81/71/84/753817184.db2.gz IOZATUXETHXSDU-APHBMKBZSA-N 1 2 347.415 0.463 20 30 ECEDLO CCc1nc(C#N)cc(N(C)CCN(C)C(=O)Cc2c[nH+]c[nH]2)n1 ZINC001105575983 753849916 /nfs/dbraw/zinc/84/99/16/753849916.db2.gz FJLVDXGCTCAHNR-UHFFFAOYSA-N 1 2 327.392 0.771 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001014101132 762249116 /nfs/dbraw/zinc/24/91/16/762249116.db2.gz UJUCAIIPWJBWDN-ZWNOBZJWSA-N 1 2 326.360 0.571 20 30 ECEDLO COCCN(CCNC(=O)Cc1[nH]cc[nH+]1)c1ncc(C#N)cc1F ZINC001126395393 753958607 /nfs/dbraw/zinc/95/86/07/753958607.db2.gz MAAJMEKSMHLACX-UHFFFAOYSA-N 1 2 346.366 0.627 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001008656952 753998395 /nfs/dbraw/zinc/99/83/95/753998395.db2.gz HSSULSIUEFYRTD-QLFBSQMISA-N 1 2 346.431 0.897 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N(C)CCN(C)c1cnc(C#N)cn1 ZINC001105602108 754027382 /nfs/dbraw/zinc/02/73/82/754027382.db2.gz HPQDZVGXYIHGIP-UHFFFAOYSA-N 1 2 340.387 0.889 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CCC[N@@H+]([C@H]3CCN(C)C3=O)C2)nn1 ZINC001008827278 754166792 /nfs/dbraw/zinc/16/67/92/754166792.db2.gz XPPQLXWUKHBCLR-ZFWWWQNUSA-N 1 2 346.435 0.279 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCN(C)C3=O)C2)nn1 ZINC001008827278 754166796 /nfs/dbraw/zinc/16/67/96/754166796.db2.gz XPPQLXWUKHBCLR-ZFWWWQNUSA-N 1 2 346.435 0.279 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000983014530 754433861 /nfs/dbraw/zinc/43/38/61/754433861.db2.gz WSSUQXDHLLPZKC-LBPRGKRZSA-N 1 2 340.387 0.441 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC001009122881 754554422 /nfs/dbraw/zinc/55/44/22/754554422.db2.gz HTOGQXZRPAMUKS-ZDUSSCGKSA-N 1 2 332.404 0.587 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001009122881 754554425 /nfs/dbraw/zinc/55/44/25/754554425.db2.gz HTOGQXZRPAMUKS-ZDUSSCGKSA-N 1 2 332.404 0.587 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N3CCC3)C2)cn1 ZINC001009268401 754724687 /nfs/dbraw/zinc/72/46/87/754724687.db2.gz INNFOHOVCCKBGQ-INIZCTEOSA-N 1 2 326.400 0.489 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCC3)C2)cn1 ZINC001009268401 754724690 /nfs/dbraw/zinc/72/46/90/754724690.db2.gz INNFOHOVCCKBGQ-INIZCTEOSA-N 1 2 326.400 0.489 20 30 ECEDLO Cc1nnc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CCO2)o1 ZINC001051554405 762328894 /nfs/dbraw/zinc/32/88/94/762328894.db2.gz DWBGEZOOLRWQOK-ZWNOBZJWSA-N 1 2 344.375 0.770 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC000990135346 754760508 /nfs/dbraw/zinc/76/05/08/754760508.db2.gz SOIWSLRRJMQIFF-NYTXWWLZSA-N 1 2 346.431 0.957 20 30 ECEDLO Cn1cc(C[N@@H+]2CC[C@@]3(NC(=O)c4cc(C#N)c[nH]4)CCC[C@@H]23)nn1 ZINC000990161953 754786846 /nfs/dbraw/zinc/78/68/46/754786846.db2.gz NJUZKPQSRRQNBR-WBVHZDCISA-N 1 2 339.403 0.942 20 30 ECEDLO Cn1cc(C[N@H+]2CC[C@@]3(NC(=O)c4cc(C#N)c[nH]4)CCC[C@@H]23)nn1 ZINC000990161953 754786848 /nfs/dbraw/zinc/78/68/48/754786848.db2.gz NJUZKPQSRRQNBR-WBVHZDCISA-N 1 2 339.403 0.942 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3coc(OCC)n3)C2)nn1 ZINC001098688719 755042295 /nfs/dbraw/zinc/04/22/95/755042295.db2.gz WOSMSSIPORFRQL-CYBMUJFWSA-N 1 2 344.375 0.475 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)c[nH]2)[C@H](OC)C1 ZINC001211841778 755316133 /nfs/dbraw/zinc/31/61/33/755316133.db2.gz DZQWHOUZOREPKT-ZIAGYGMSSA-N 1 2 325.796 0.747 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2cc(Cl)c[nH]2)[C@H](OC)C1 ZINC001211841778 755316138 /nfs/dbraw/zinc/31/61/38/755316138.db2.gz DZQWHOUZOREPKT-ZIAGYGMSSA-N 1 2 325.796 0.747 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3nc(C)no3)C2)nn1 ZINC001028855318 755318205 /nfs/dbraw/zinc/31/82/05/755318205.db2.gz YSMJISHGLVXJRC-ZDUSSCGKSA-N 1 2 345.407 0.798 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3nc(C)no3)C2)nn1 ZINC001028855318 755318213 /nfs/dbraw/zinc/31/82/13/755318213.db2.gz YSMJISHGLVXJRC-ZDUSSCGKSA-N 1 2 345.407 0.798 20 30 ECEDLO N#Cc1ccc(NC[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC001060049214 755486687 /nfs/dbraw/zinc/48/66/87/755486687.db2.gz TWZOJADWTONDGX-LBPRGKRZSA-N 1 2 325.376 0.965 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1 ZINC000938180921 755632905 /nfs/dbraw/zinc/63/29/05/755632905.db2.gz FYLXFDXDTRYFBV-ARFHVFGLSA-N 1 2 349.394 0.920 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1 ZINC000938180921 755632906 /nfs/dbraw/zinc/63/29/06/755632906.db2.gz FYLXFDXDTRYFBV-ARFHVFGLSA-N 1 2 349.394 0.920 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)[C@H]1C ZINC001088782190 755649162 /nfs/dbraw/zinc/64/91/62/755649162.db2.gz DQHCOENORRAXOP-OLZOCXBDSA-N 1 2 349.822 0.828 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)[C@H]1C ZINC001088782190 755649164 /nfs/dbraw/zinc/64/91/64/755649164.db2.gz DQHCOENORRAXOP-OLZOCXBDSA-N 1 2 349.822 0.828 20 30 ECEDLO C=CCOCC(=O)N(C)C1CC(Nc2[nH+]cnc3c2cnn3C)C1 ZINC001126866301 755739976 /nfs/dbraw/zinc/73/99/76/755739976.db2.gz CKQVULAWKNBEHV-UHFFFAOYSA-N 1 2 330.392 0.967 20 30 ECEDLO C[C@@H]1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cn1cc[nH+]c1 ZINC001010206674 755811587 /nfs/dbraw/zinc/81/15/87/755811587.db2.gz NEFQIIBRZYNXKT-OLZOCXBDSA-N 1 2 340.387 0.750 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccsc2)C1 ZINC001149137875 755826869 /nfs/dbraw/zinc/82/68/69/755826869.db2.gz RRSDJEJPRBMHNU-ZDUSSCGKSA-N 1 2 336.417 0.209 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)c2ccsc2)C1 ZINC001149137875 755826878 /nfs/dbraw/zinc/82/68/78/755826878.db2.gz RRSDJEJPRBMHNU-ZDUSSCGKSA-N 1 2 336.417 0.209 20 30 ECEDLO N#Cc1ccc(NC[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC001060094001 756007878 /nfs/dbraw/zinc/00/78/78/756007878.db2.gz UQSZAZFIJZYGTG-GFCCVEGCSA-N 1 2 325.376 0.965 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)c(F)c1 ZINC001010381300 756064277 /nfs/dbraw/zinc/06/42/77/756064277.db2.gz PJSWCPHDQZJWAX-DZGCQCFKSA-N 1 2 330.363 0.666 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCC(=O)N3)C2)c(F)c1 ZINC001010381300 756064279 /nfs/dbraw/zinc/06/42/79/756064279.db2.gz PJSWCPHDQZJWAX-DZGCQCFKSA-N 1 2 330.363 0.666 20 30 ECEDLO Cn1nnc(C(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]32)n1 ZINC001076138402 756126334 /nfs/dbraw/zinc/12/63/34/756126334.db2.gz XTBLSOVYRPSFSP-LSDHHAIUSA-N 1 2 337.387 0.428 20 30 ECEDLO Cn1nnc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@H]32)n1 ZINC001076138402 756126339 /nfs/dbraw/zinc/12/63/39/756126339.db2.gz XTBLSOVYRPSFSP-LSDHHAIUSA-N 1 2 337.387 0.428 20 30 ECEDLO O=C(C#CC1CC1)N1CC2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001010651984 756352954 /nfs/dbraw/zinc/35/29/54/756352954.db2.gz SKVFWDYCBXOVTE-UHFFFAOYSA-N 1 2 326.400 0.817 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010690918 756403464 /nfs/dbraw/zinc/40/34/64/756403464.db2.gz KUAYUBSJTWYCQU-ZWKOTPCHSA-N 1 2 345.418 0.698 20 30 ECEDLO CN1CCOC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001010690918 756403466 /nfs/dbraw/zinc/40/34/66/756403466.db2.gz KUAYUBSJTWYCQU-ZWKOTPCHSA-N 1 2 345.418 0.698 20 30 ECEDLO CN1CCOC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010695065 756409038 /nfs/dbraw/zinc/40/90/38/756409038.db2.gz PSCLHODIAVMQFS-WBVHZDCISA-N 1 2 346.406 0.718 20 30 ECEDLO CN1CCOC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001010695065 756409042 /nfs/dbraw/zinc/40/90/42/756409042.db2.gz PSCLHODIAVMQFS-WBVHZDCISA-N 1 2 346.406 0.718 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)c1 ZINC001010834336 756580797 /nfs/dbraw/zinc/58/07/97/756580797.db2.gz NHCIUPUSTVMKQS-TZMCWYRMSA-N 1 2 332.335 0.496 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)[C@H]3COC(=O)N3)C2)c1 ZINC001010834336 756580801 /nfs/dbraw/zinc/58/08/01/756580801.db2.gz NHCIUPUSTVMKQS-TZMCWYRMSA-N 1 2 332.335 0.496 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001010836975 756584513 /nfs/dbraw/zinc/58/45/13/756584513.db2.gz NTAQRELZPJBIIM-ZDUSSCGKSA-N 1 2 329.404 0.953 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001010836975 756584517 /nfs/dbraw/zinc/58/45/17/756584517.db2.gz NTAQRELZPJBIIM-ZDUSSCGKSA-N 1 2 329.404 0.953 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001010920528 756670304 /nfs/dbraw/zinc/67/03/04/756670304.db2.gz CCBPUQQTKXYSCI-UHFFFAOYSA-N 1 2 340.387 0.537 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001011019584 756772911 /nfs/dbraw/zinc/77/29/11/756772911.db2.gz CDVHCYHMOLTSIJ-LBPRGKRZSA-N 1 2 340.387 0.773 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001011019584 756772916 /nfs/dbraw/zinc/77/29/16/756772916.db2.gz CDVHCYHMOLTSIJ-LBPRGKRZSA-N 1 2 340.387 0.773 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CCCOCC3)C2)nn1 ZINC001098665190 756775210 /nfs/dbraw/zinc/77/52/10/756775210.db2.gz VNVJBVROUDHKGE-DOTOQJQBSA-N 1 2 345.447 0.981 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ncn(-c3ccccc3)n2)[C@@H](O)C1 ZINC001083552774 756857036 /nfs/dbraw/zinc/85/70/36/756857036.db2.gz UTJNLMAESXHUOF-CABCVRRESA-N 1 2 325.372 0.066 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ncn(-c3ccccc3)n2)[C@@H](O)C1 ZINC001083552774 756857038 /nfs/dbraw/zinc/85/70/38/756857038.db2.gz UTJNLMAESXHUOF-CABCVRRESA-N 1 2 325.372 0.066 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C)oc3C)C2)C1=O ZINC001076732273 756931594 /nfs/dbraw/zinc/93/15/94/756931594.db2.gz COIOHDICGIGYGE-BZUAXINKSA-N 1 2 347.415 0.458 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc(C)oc3C)C2)C1=O ZINC001076732273 756931596 /nfs/dbraw/zinc/93/15/96/756931596.db2.gz COIOHDICGIGYGE-BZUAXINKSA-N 1 2 347.415 0.458 20 30 ECEDLO O=C(C#CC1CC1)N1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001011110295 756940499 /nfs/dbraw/zinc/94/04/99/756940499.db2.gz TWQNWSKBFCIRMW-AWEZNQCLSA-N 1 2 326.400 0.914 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001076737822 756944108 /nfs/dbraw/zinc/94/41/08/756944108.db2.gz AECLBCFMHBSSEA-ZNMIVQPWSA-N 1 2 334.420 0.875 20 30 ECEDLO N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2[nH]cc[nH+]2)[nH]1 ZINC000996098348 756950122 /nfs/dbraw/zinc/95/01/22/756950122.db2.gz RZLRJPAEFGLWGR-XBFCOCLRSA-N 1 2 338.371 0.714 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)Cn3cc(C)cn3)nn2)C1 ZINC001107140146 756958787 /nfs/dbraw/zinc/95/87/87/756958787.db2.gz YZTQDBQXRKTYFO-UHFFFAOYSA-N 1 2 329.408 0.532 20 30 ECEDLO COCc1noc(C[N@H+]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)n1 ZINC001048810874 757069577 /nfs/dbraw/zinc/06/95/77/757069577.db2.gz UVVFMUZLSNLKTN-OKILXGFUSA-N 1 2 330.388 0.520 20 30 ECEDLO COCc1noc(C[N@@H+]2C[C@H]3CN(C(=O)C#CC4CC4)C[C@H]3C2)n1 ZINC001048810874 757069589 /nfs/dbraw/zinc/06/95/89/757069589.db2.gz UVVFMUZLSNLKTN-OKILXGFUSA-N 1 2 330.388 0.520 20 30 ECEDLO Cc1ncncc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076772977 757078414 /nfs/dbraw/zinc/07/84/14/757078414.db2.gz CZDXAOCMLATUJS-IAGOWNOFSA-N 1 2 337.383 0.632 20 30 ECEDLO Cc1ncncc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076772977 757078425 /nfs/dbraw/zinc/07/84/25/757078425.db2.gz CZDXAOCMLATUJS-IAGOWNOFSA-N 1 2 337.383 0.632 20 30 ECEDLO CC(C)CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)C#N)nn2)C1 ZINC001107149284 757084918 /nfs/dbraw/zinc/08/49/18/757084918.db2.gz AFXPGBJJYUYSGO-AWEZNQCLSA-N 1 2 348.451 0.973 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cncs3)C2)cc1 ZINC001076783705 757110284 /nfs/dbraw/zinc/11/02/84/757110284.db2.gz MMLRHKWHHLXJQD-ZIAGYGMSSA-N 1 2 328.397 0.990 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cncs3)C2)cc1 ZINC001076783705 757110286 /nfs/dbraw/zinc/11/02/86/757110286.db2.gz MMLRHKWHHLXJQD-ZIAGYGMSSA-N 1 2 328.397 0.990 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C3=COCCC3)C2)s1 ZINC001076791910 757131477 /nfs/dbraw/zinc/13/14/77/757131477.db2.gz LYKXSHUMCWXHIA-HUUCEWRRSA-N 1 2 333.413 0.975 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3=COCCC3)C2)s1 ZINC001076791910 757131486 /nfs/dbraw/zinc/13/14/86/757131486.db2.gz LYKXSHUMCWXHIA-HUUCEWRRSA-N 1 2 333.413 0.975 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)Cc3ccnn3C)nn2)C1 ZINC001107164404 757164862 /nfs/dbraw/zinc/16/48/62/757164862.db2.gz ALCUHIGGIQWNLT-UHFFFAOYSA-N 1 2 329.408 0.303 20 30 ECEDLO C=C(C)CCC(=O)NCc1cn(C2C[NH+](C[C@H](O)COC)C2)nn1 ZINC001107176721 757256331 /nfs/dbraw/zinc/25/63/31/757256331.db2.gz JUPJLTMWQQMYDZ-HNNXBMFYSA-N 1 2 337.424 0.115 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCOC3)C2)cc1F ZINC001076824068 757275761 /nfs/dbraw/zinc/27/57/61/757275761.db2.gz VHJONSRVMCKBPA-KBRIMQKVSA-N 1 2 347.390 0.785 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCOC3)C2)cc1F ZINC001076824068 757275769 /nfs/dbraw/zinc/27/57/69/757275769.db2.gz VHJONSRVMCKBPA-KBRIMQKVSA-N 1 2 347.390 0.785 20 30 ECEDLO C=CCOCC(=O)N[C@@H](C)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001076859939 757381187 /nfs/dbraw/zinc/38/11/87/757381187.db2.gz IDNRYWZZYPMBKU-AWEZNQCLSA-N 1 2 348.447 0.976 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)Cn3nc(C)cc3C)nn2)C1 ZINC001107184975 757418607 /nfs/dbraw/zinc/41/86/07/757418607.db2.gz XREKBXXTSYTZAW-UHFFFAOYSA-N 1 2 341.419 0.288 20 30 ECEDLO CC#CCCCC(=O)NCc1cn(C2C[NH+](CCOCC)C2)nn1 ZINC001107197097 757556826 /nfs/dbraw/zinc/55/68/26/757556826.db2.gz ATQCDUDAXHQKCC-UHFFFAOYSA-N 1 2 333.436 0.981 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@]3(C)CCC(=O)NC3)nn2)C1 ZINC001107197125 757557050 /nfs/dbraw/zinc/55/70/50/757557050.db2.gz BSPZZBLEGKNWQY-QGZVFWFLSA-N 1 2 346.435 0.243 20 30 ECEDLO O=C(Cc1cncnc1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001076934820 757661627 /nfs/dbraw/zinc/66/16/27/757661627.db2.gz YWRCEJQPKYLQRC-QZTJIDSGSA-N 1 2 336.395 0.232 20 30 ECEDLO O=C(Cc1cncnc1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001076934820 757661632 /nfs/dbraw/zinc/66/16/32/757661632.db2.gz YWRCEJQPKYLQRC-QZTJIDSGSA-N 1 2 336.395 0.232 20 30 ECEDLO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001049015144 757699402 /nfs/dbraw/zinc/69/94/02/757699402.db2.gz GFMZBCGXOHDBQB-KBMXLJTQSA-N 1 2 346.431 0.442 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3cc[nH]c3CC)C2)C1=O ZINC001076957106 757747294 /nfs/dbraw/zinc/74/72/94/757747294.db2.gz KEWDKFGBPMYCQD-BZUAXINKSA-N 1 2 346.431 0.139 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cc[nH]c3CC)C2)C1=O ZINC001076957106 757747301 /nfs/dbraw/zinc/74/73/01/757747301.db2.gz KEWDKFGBPMYCQD-BZUAXINKSA-N 1 2 346.431 0.139 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC34CC4)nn2)C1 ZINC001107214536 757779981 /nfs/dbraw/zinc/77/99/81/757779981.db2.gz XCGPNUDYYLPJBH-HNNXBMFYSA-N 1 2 331.420 0.754 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccsc3C)C2)C1=O ZINC001076975010 757818978 /nfs/dbraw/zinc/81/89/78/757818978.db2.gz RNYSDRWPPWJPJO-RBSFLKMASA-N 1 2 349.456 0.618 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccsc3C)C2)C1=O ZINC001076975010 757818990 /nfs/dbraw/zinc/81/89/90/757818990.db2.gz RNYSDRWPPWJPJO-RBSFLKMASA-N 1 2 349.456 0.618 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCc3cnccn3)nn2)C1 ZINC001107226032 757878992 /nfs/dbraw/zinc/87/89/92/757878992.db2.gz MPELUHNMOYDVBM-UHFFFAOYSA-N 1 2 339.403 0.197 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C(C)(C)CCOC)nn2)C1 ZINC001107226509 757880855 /nfs/dbraw/zinc/88/08/55/757880855.db2.gz ULJVDYDHTDMRDT-UHFFFAOYSA-N 1 2 333.436 0.837 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCC(=O)NCCC)nn2)C1 ZINC001107230585 757940618 /nfs/dbraw/zinc/94/06/18/757940618.db2.gz OSHCZJUDPGOOMT-UHFFFAOYSA-N 1 2 348.451 0.634 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H](CC(C)C)C(N)=O)nn2)C1 ZINC001107241876 757998432 /nfs/dbraw/zinc/99/84/32/757998432.db2.gz IGUMRUPVNJIHDR-OAHLLOKOSA-N 1 2 348.451 0.475 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C[C@@H]3CCCOC3)nn2)C1 ZINC001107235762 758024904 /nfs/dbraw/zinc/02/49/04/758024904.db2.gz MSZLKWVZPNMDHW-AWEZNQCLSA-N 1 2 331.420 0.591 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001011669192 758257377 /nfs/dbraw/zinc/25/73/77/758257377.db2.gz NASWKIRMTYMLAC-GWCFXTLKSA-N 1 2 326.360 0.571 20 30 ECEDLO C=C(C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC001049193701 758267517 /nfs/dbraw/zinc/26/75/17/758267517.db2.gz UEQBPYQWQYMAST-HOTGVXAUSA-N 1 2 348.447 0.739 20 30 ECEDLO N#Cc1ccc(NC/C=C\CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)nn1 ZINC001107389332 758415318 /nfs/dbraw/zinc/41/53/18/758415318.db2.gz JBFJKJMUGFTIRL-UIIMQBOASA-N 1 2 337.387 0.892 20 30 ECEDLO N#Cc1nccc(NC/C=C/CNC(=O)[C@H]2CCn3c[nH+]cc3C2)n1 ZINC001107390053 758417368 /nfs/dbraw/zinc/41/73/68/758417368.db2.gz RVFPTDXLDNGMJC-AORQRIRUSA-N 1 2 337.387 0.314 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001022220897 758441794 /nfs/dbraw/zinc/44/17/94/758441794.db2.gz TWTVCEJAVVYIOC-ZNMIVQPWSA-N 1 2 342.447 0.517 20 30 ECEDLO N#Cc1nccnc1NC/C=C/CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001107393422 758450297 /nfs/dbraw/zinc/45/02/97/758450297.db2.gz CONANVADVCAWFC-AORQRIRUSA-N 1 2 337.387 0.892 20 30 ECEDLO N#Cc1nccnc1NC/C=C\CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001107395376 758453586 /nfs/dbraw/zinc/45/35/86/758453586.db2.gz YQNFXDFPWPBPNL-FYDYADQUSA-N 1 2 337.387 0.892 20 30 ECEDLO C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1nnnn1C)CC2 ZINC001107404700 758482073 /nfs/dbraw/zinc/48/20/73/758482073.db2.gz JMNJGUHJQUELFN-RHSMWYFYSA-N 1 2 346.435 0.111 20 30 ECEDLO C#CCOCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1nnnn1C)CC2 ZINC001107404700 758482079 /nfs/dbraw/zinc/48/20/79/758482079.db2.gz JMNJGUHJQUELFN-RHSMWYFYSA-N 1 2 346.435 0.111 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H]2C)nn1 ZINC001011772918 758541723 /nfs/dbraw/zinc/54/17/23/758541723.db2.gz SLOGHRXMFITWMO-QWHCGFSZSA-N 1 2 343.391 0.080 20 30 ECEDLO Cc1nc(N2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](O)C2)cc[nH+]1 ZINC001051669472 762647104 /nfs/dbraw/zinc/64/71/04/762647104.db2.gz OIMUOOHHQXMWSZ-JSGCOSHPSA-N 1 2 326.360 0.354 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001011829342 758684906 /nfs/dbraw/zinc/68/49/06/758684906.db2.gz FHTSZPANUQAQSG-BXUZGUMPSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001011829342 758684911 /nfs/dbraw/zinc/68/49/11/758684911.db2.gz FHTSZPANUQAQSG-BXUZGUMPSA-N 1 2 340.387 0.961 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C)cn1 ZINC001011855208 758772473 /nfs/dbraw/zinc/77/24/73/758772473.db2.gz FQMGSOVAYFJPKM-CZUORRHYSA-N 1 2 337.383 0.679 20 30 ECEDLO Cc1nocc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077608134 758794989 /nfs/dbraw/zinc/79/49/89/758794989.db2.gz QUYMJPSMDUCTGH-HZPDHXFCSA-N 1 2 326.356 0.830 20 30 ECEDLO Cc1nocc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077608134 758794995 /nfs/dbraw/zinc/79/49/95/758794995.db2.gz QUYMJPSMDUCTGH-HZPDHXFCSA-N 1 2 326.356 0.830 20 30 ECEDLO C=CCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001049578480 758955798 /nfs/dbraw/zinc/95/57/98/758955798.db2.gz XVEAPACPYUAUPU-VDERGJSUSA-N 1 2 346.431 0.520 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1C ZINC001011940838 759009154 /nfs/dbraw/zinc/00/91/54/759009154.db2.gz RRJHOWLRPVSYAR-DGCLKSJQSA-N 1 2 340.387 0.880 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001049637509 759036119 /nfs/dbraw/zinc/03/61/19/759036119.db2.gz FJHAAYGLSUVVDP-QEJZJMRPSA-N 1 2 334.420 0.585 20 30 ECEDLO C#CCOCCC(=O)N(C)C1CC(Nc2[nH+]cnc3c2cnn3C)C1 ZINC001127006201 759235150 /nfs/dbraw/zinc/23/51/50/759235150.db2.gz MCHGJYZDLPLIKQ-UHFFFAOYSA-N 1 2 342.403 0.805 20 30 ECEDLO C=CCCOCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001051691288 762700085 /nfs/dbraw/zinc/70/00/85/762700085.db2.gz BUVWKNRARUJPHI-UONOGXRCSA-N 1 2 334.420 0.898 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC(NC(=O)c3cccc4[nH+]ccn43)C2)c1 ZINC000995539056 759731719 /nfs/dbraw/zinc/73/17/19/759731719.db2.gz BICQFYZTOHGYSE-UHFFFAOYSA-N 1 2 345.362 0.965 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001012443600 760011432 /nfs/dbraw/zinc/01/14/32/760011432.db2.gz WRWYJCWHIQLDMA-DGCLKSJQSA-N 1 2 326.360 0.502 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H](C)N(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001012444699 760012331 /nfs/dbraw/zinc/01/23/31/760012331.db2.gz DBGDLRANUAJDPJ-MFKMUULPSA-N 1 2 340.387 0.880 20 30 ECEDLO C=CCOCC(=O)N1CC[C@@H]([C@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001050297743 760078970 /nfs/dbraw/zinc/07/89/70/760078970.db2.gz PJECQWFXTVOMBD-LSDHHAIUSA-N 1 2 348.447 0.909 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3ccc(F)cc3O2)[C@@H](O)C1 ZINC001083641401 760184945 /nfs/dbraw/zinc/18/49/45/760184945.db2.gz LCLVBKKDLVBWCZ-OWCLPIDISA-N 1 2 332.375 0.704 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3ccc(F)cc3O2)[C@@H](O)C1 ZINC001083641401 760184951 /nfs/dbraw/zinc/18/49/51/760184951.db2.gz LCLVBKKDLVBWCZ-OWCLPIDISA-N 1 2 332.375 0.704 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001012539592 760234130 /nfs/dbraw/zinc/23/41/30/760234130.db2.gz TYZVTRBWUWKKOY-YPMHNXCESA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[NH+](CC(=O)Nc1cnccn1)CC2 ZINC001050463770 760307844 /nfs/dbraw/zinc/30/78/44/760307844.db2.gz ZUVDZIUVSJAHDS-CYBMUJFWSA-N 1 2 342.403 0.499 20 30 ECEDLO C[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@H]2CNc2ccc(C#N)nn2)C1 ZINC001060225616 760501689 /nfs/dbraw/zinc/50/16/89/760501689.db2.gz VTIKDWMLJBUYDO-GJZGRUSLSA-N 1 2 344.419 0.472 20 30 ECEDLO C[N@H+]1CCO[C@H](C(=O)N2CCCC[C@H]2CNc2ccc(C#N)nn2)C1 ZINC001060225616 760501697 /nfs/dbraw/zinc/50/16/97/760501697.db2.gz VTIKDWMLJBUYDO-GJZGRUSLSA-N 1 2 344.419 0.472 20 30 ECEDLO Cc1cccn2cc(CC(=O)NC3CN(C(=O)[C@@H](C)C#N)C3)[nH+]c12 ZINC000995733537 760545835 /nfs/dbraw/zinc/54/58/35/760545835.db2.gz GEUCMZWYQAOVPR-LBPRGKRZSA-N 1 2 325.372 0.672 20 30 ECEDLO C#CCOCCC(=O)NCC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001060233619 760761036 /nfs/dbraw/zinc/76/10/36/760761036.db2.gz ZHUOVGQMECMSKO-AWEZNQCLSA-N 1 2 332.404 0.347 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001012910188 760810700 /nfs/dbraw/zinc/81/07/00/760810700.db2.gz VIWZYZDVKBBQAB-RISCZKNCSA-N 1 2 340.387 0.961 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001012910188 760810712 /nfs/dbraw/zinc/81/07/12/760810712.db2.gz VIWZYZDVKBBQAB-RISCZKNCSA-N 1 2 340.387 0.961 20 30 ECEDLO N#Cc1nccc(NC[C@@H]2CCCCN2C(=O)CCc2[nH]cc[nH+]2)n1 ZINC001060246642 761004000 /nfs/dbraw/zinc/00/40/00/761004000.db2.gz MINRCTSLGGQGEM-ZDUSSCGKSA-N 1 2 339.403 0.919 20 30 ECEDLO C#CCCCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001048769895 761149874 /nfs/dbraw/zinc/14/98/74/761149874.db2.gz UVYWCVQOOAGDBN-GJZGRUSLSA-N 1 2 346.431 0.566 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc2n[nH]nc2n1 ZINC001050947214 761192385 /nfs/dbraw/zinc/19/23/85/761192385.db2.gz QMRFXIKFFPYSEV-GFCCVEGCSA-N 1 2 330.392 0.750 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc2n[nH]nc2n1 ZINC001050947214 761192390 /nfs/dbraw/zinc/19/23/90/761192390.db2.gz QMRFXIKFFPYSEV-GFCCVEGCSA-N 1 2 330.392 0.750 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cncc2ncn(C)c21 ZINC001050960384 761227251 /nfs/dbraw/zinc/22/72/51/761227251.db2.gz HFRRGLNTUPIVNT-ZDUSSCGKSA-N 1 2 329.404 0.975 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cncc2ncn(C)c21 ZINC001050960384 761227257 /nfs/dbraw/zinc/22/72/57/761227257.db2.gz HFRRGLNTUPIVNT-ZDUSSCGKSA-N 1 2 329.404 0.975 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NCC=C)C[C@H]1OC ZINC001212148978 761274064 /nfs/dbraw/zinc/27/40/64/761274064.db2.gz XBMYMBUBDBPBBA-ARFHVFGLSA-N 1 2 335.448 0.686 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCC=C)C[C@H]1OC ZINC001212148978 761274066 /nfs/dbraw/zinc/27/40/66/761274066.db2.gz XBMYMBUBDBPBBA-ARFHVFGLSA-N 1 2 335.448 0.686 20 30 ECEDLO Cc1nc(N2CC[C@H](n3cc(CNC(=O)[C@H](C)C#N)nn3)C2)cc[nH+]1 ZINC001127103749 761278801 /nfs/dbraw/zinc/27/88/01/761278801.db2.gz GGZACSSXHQGFNJ-RISCZKNCSA-N 1 2 340.391 0.604 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnc2c(c1)nnn2C ZINC001051026842 761358869 /nfs/dbraw/zinc/35/88/69/761358869.db2.gz XBXWNZPNNFWFBA-ZDUSSCGKSA-N 1 2 330.392 0.370 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnc2c(c1)nnn2C ZINC001051026842 761358878 /nfs/dbraw/zinc/35/88/78/761358878.db2.gz XBXWNZPNNFWFBA-ZDUSSCGKSA-N 1 2 330.392 0.370 20 30 ECEDLO C=CC[NH+]1CC(OC2CCN(C(=O)COCc3ncnn3C)CC2)C1 ZINC001105730682 761380602 /nfs/dbraw/zinc/38/06/02/761380602.db2.gz TXNBSYFQMNXQFS-UHFFFAOYSA-N 1 2 349.435 0.210 20 30 ECEDLO N#CCN1CC(OC2CCN(C(=O)CCCn3cc[nH+]c3)CC2)C1 ZINC001105736154 761420047 /nfs/dbraw/zinc/42/00/47/761420047.db2.gz OHBOKLZIPKCVGW-UHFFFAOYSA-N 1 2 331.420 0.879 20 30 ECEDLO COCc1noc(C[NH2+][C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]2C)n1 ZINC001054554656 768039706 /nfs/dbraw/zinc/03/97/06/768039706.db2.gz ZSSNVEKZDIGGBZ-GXFFZTMASA-N 1 2 344.375 0.666 20 30 ECEDLO C#Cc1ccc(C(=O)N2C[C@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C)cn1 ZINC001013470205 761457914 /nfs/dbraw/zinc/45/79/14/761457914.db2.gz OTDHTQLSQOYCLM-CZUORRHYSA-N 1 2 337.383 0.679 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2COCC[N@@H+]2C[C@H]2CCOC2)nn1 ZINC001051157315 761581422 /nfs/dbraw/zinc/58/14/22/761581422.db2.gz LRGRGAMWEPPYBZ-CABCVRRESA-N 1 2 349.435 0.321 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2COCC[N@H+]2C[C@H]2CCOC2)nn1 ZINC001051157315 761581429 /nfs/dbraw/zinc/58/14/29/761581429.db2.gz LRGRGAMWEPPYBZ-CABCVRRESA-N 1 2 349.435 0.321 20 30 ECEDLO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc2c([nH]c1=O)CCOC2 ZINC001051201312 761676755 /nfs/dbraw/zinc/67/67/55/761676755.db2.gz JJDPUJZZWXVAFT-CQSZACIVSA-N 1 2 345.399 0.314 20 30 ECEDLO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc2c([nH]c1=O)CCOC2 ZINC001051201312 761676758 /nfs/dbraw/zinc/67/67/58/761676758.db2.gz JJDPUJZZWXVAFT-CQSZACIVSA-N 1 2 345.399 0.314 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2C[C@@H](CC)OC)cn1 ZINC001051213629 761703686 /nfs/dbraw/zinc/70/36/86/761703686.db2.gz AQBZWMAHSZSFCM-IAGOWNOFSA-N 1 2 331.416 0.919 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2C[C@@H](CC)OC)cn1 ZINC001051213629 761703690 /nfs/dbraw/zinc/70/36/90/761703690.db2.gz AQBZWMAHSZSFCM-IAGOWNOFSA-N 1 2 331.416 0.919 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccnn2CC)[C@H](OC)C1 ZINC001212163635 761772830 /nfs/dbraw/zinc/77/28/30/761772830.db2.gz DOGSSHPAPBTIEV-UMVBOHGHSA-N 1 2 349.435 0.023 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccnn2CC)[C@H](OC)C1 ZINC001212163635 761772835 /nfs/dbraw/zinc/77/28/35/761772835.db2.gz DOGSSHPAPBTIEV-UMVBOHGHSA-N 1 2 349.435 0.023 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc(C(N)=O)n1 ZINC001051264235 761790876 /nfs/dbraw/zinc/79/08/76/761790876.db2.gz RUPRESOYDDSBFT-ZDUSSCGKSA-N 1 2 332.404 0.577 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc(C(N)=O)n1 ZINC001051264235 761790881 /nfs/dbraw/zinc/79/08/81/761790881.db2.gz RUPRESOYDDSBFT-ZDUSSCGKSA-N 1 2 332.404 0.577 20 30 ECEDLO N#Cc1c(F)cccc1N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001051699193 762726571 /nfs/dbraw/zinc/72/65/71/762726571.db2.gz FLUFFQPRRSFFAC-ZBFHGGJFSA-N 1 2 343.362 0.650 20 30 ECEDLO N#Cc1cnc(N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H](O)C2)c(F)c1 ZINC001051700199 762729565 /nfs/dbraw/zinc/72/95/65/762729565.db2.gz KIEKINUMDFXHED-UONOGXRCSA-N 1 2 344.350 0.045 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCN(c3cc[nH+]c(C)n3)C[C@H]2O)c1 ZINC001051781262 762938753 /nfs/dbraw/zinc/93/87/53/762938753.db2.gz OYEZCAMXCOFHHD-HZPDHXFCSA-N 1 2 337.383 0.531 20 30 ECEDLO Cn1cc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)ncc1=O ZINC001031862452 763114488 /nfs/dbraw/zinc/11/44/88/763114488.db2.gz BVMIWLKYNDQHGC-UHFFFAOYSA-N 1 2 337.383 0.514 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2O)CC1 ZINC000991755363 763266830 /nfs/dbraw/zinc/26/68/30/763266830.db2.gz OSHQAYLNOJFRLW-CVEARBPZSA-N 1 2 346.431 0.777 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001014880230 763360096 /nfs/dbraw/zinc/36/00/96/763360096.db2.gz IXSJPOCYIAWYGM-TZMCWYRMSA-N 1 2 340.387 0.892 20 30 ECEDLO C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001014882070 763363352 /nfs/dbraw/zinc/36/33/52/763363352.db2.gz FRGRFGPAGCDKEI-FZMZJTMJSA-N 1 2 340.387 0.961 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)CCn3cccn3)C2)CC1 ZINC001051986569 763519915 /nfs/dbraw/zinc/51/99/15/763519915.db2.gz IEWLHOLLUXSXIS-QGZVFWFLSA-N 1 2 329.448 0.515 20 30 ECEDLO CN1CC[C@@H](C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)C1=O ZINC001031910582 763520387 /nfs/dbraw/zinc/52/03/87/763520387.db2.gz OLRGAWBKVPHWPG-HNNXBMFYSA-N 1 2 344.390 0.724 20 30 ECEDLO C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001046993548 763530211 /nfs/dbraw/zinc/53/02/11/763530211.db2.gz PQBMKKVDKQJPJF-QWHCGFSZSA-N 1 2 348.415 0.660 20 30 ECEDLO C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001046993548 763530213 /nfs/dbraw/zinc/53/02/13/763530213.db2.gz PQBMKKVDKQJPJF-QWHCGFSZSA-N 1 2 348.415 0.660 20 30 ECEDLO Cc1cnc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)nc1 ZINC001051997389 763547307 /nfs/dbraw/zinc/54/73/07/763547307.db2.gz BFVFCKDARRCXBJ-HOTGVXAUSA-N 1 2 342.447 0.663 20 30 ECEDLO Cc1ncc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)o1 ZINC001051997782 763548315 /nfs/dbraw/zinc/54/83/15/763548315.db2.gz IEMWUIPSZGVOQU-HIFRSBDPSA-N 1 2 331.420 0.861 20 30 ECEDLO Cc1cc(CN2CC[NH+]([C@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)nn1C ZINC001051998119 763550191 /nfs/dbraw/zinc/55/01/91/763550191.db2.gz NKVKZXUUTCLWAH-PBHICJAKSA-N 1 2 344.463 0.607 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)CN3CCOCC3)C2)CC1 ZINC001052011085 763581023 /nfs/dbraw/zinc/58/10/23/763581023.db2.gz MIGUMLLYVVAEND-QGZVFWFLSA-N 1 2 336.480 0.113 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(=O)n(C)o3)C2)CC1 ZINC001052018687 763598294 /nfs/dbraw/zinc/59/82/94/763598294.db2.gz NORIYCAMXWUSQL-CQSZACIVSA-N 1 2 334.420 0.387 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)CO[C@H]3CCOC3)C2)CC1 ZINC001052025477 763615554 /nfs/dbraw/zinc/61/55/54/763615554.db2.gz FOJOKXLRIPGFHU-IRXDYDNUSA-N 1 2 335.448 0.034 20 30 ECEDLO CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(OC)ncn3)C2)CC1 ZINC001052026145 763618607 /nfs/dbraw/zinc/61/86/07/763618607.db2.gz ASTAWEIGQISQFO-OAHLLOKOSA-N 1 2 343.431 0.341 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn4c(n3)CCC4)C2)CC1 ZINC001052028571 763623368 /nfs/dbraw/zinc/62/33/68/763623368.db2.gz QVUWQDFDDVVMRU-OAHLLOKOSA-N 1 2 327.432 0.295 20 30 ECEDLO N#Cc1cccnc1NC[C@H](O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001106006241 763627504 /nfs/dbraw/zinc/62/75/04/763627504.db2.gz BJPKRAHPDBWJAO-DOMZBBRYSA-N 1 2 340.387 0.301 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C)nnc3C)C2)CC1 ZINC001052034028 763639313 /nfs/dbraw/zinc/63/93/13/763639313.db2.gz ZQTLOGFWLMYJIV-KRWDZBQOSA-N 1 2 341.459 0.949 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(C)nnc3C)C2)CC1 ZINC001052034028 763639320 /nfs/dbraw/zinc/63/93/20/763639320.db2.gz ZQTLOGFWLMYJIV-KRWDZBQOSA-N 1 2 341.459 0.949 20 30 ECEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)c3c[nH]c(=O)cn3)C2)ccc1F ZINC001031931861 763641182 /nfs/dbraw/zinc/64/11/82/763641182.db2.gz XLDLPEKHDLOATF-UHFFFAOYSA-N 1 2 341.346 0.642 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)s1 ZINC001077536804 768149858 /nfs/dbraw/zinc/14/98/58/768149858.db2.gz RIGOYMJEDRESCW-KHMAMNHCSA-N 1 2 333.413 0.173 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)s1 ZINC001077536804 768149862 /nfs/dbraw/zinc/14/98/62/768149862.db2.gz RIGOYMJEDRESCW-KHMAMNHCSA-N 1 2 333.413 0.173 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c(C4CC4)cnn3C)C2)CC1 ZINC001052035879 763645409 /nfs/dbraw/zinc/64/54/09/763645409.db2.gz SJUXYHRZEDVPKL-MRXNPFEDSA-N 1 2 341.459 0.763 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC(=O)N(CC)C3)C2)CC1 ZINC001052035937 763646808 /nfs/dbraw/zinc/64/68/08/763646808.db2.gz UQZBYTOHZVYBBC-SJORKVTESA-N 1 2 348.491 0.649 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3CCNC3=O)C2)CC1 ZINC001052036670 763649677 /nfs/dbraw/zinc/64/96/77/763649677.db2.gz SCUNXUIQDVEBQC-HOTGVXAUSA-N 1 2 334.464 0.307 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3CCC(=O)NC3)C2)CC1 ZINC001052036699 763650598 /nfs/dbraw/zinc/65/05/98/763650598.db2.gz SRQAOWTVOQDXDM-IRXDYDNUSA-N 1 2 346.475 0.145 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnc4n3CCC4)C2)CC1 ZINC001052037045 763651945 /nfs/dbraw/zinc/65/19/45/763651945.db2.gz CQIGBJHDFBATAM-CQSZACIVSA-N 1 2 328.420 0.185 20 30 ECEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn4ncccc34)C2)CC1 ZINC001052037820 763656589 /nfs/dbraw/zinc/65/65/89/763656589.db2.gz TXYJBEXLTTWHET-AWEZNQCLSA-N 1 2 339.403 0.085 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cncc(COC)c3)C2)CC1 ZINC001052037740 763656925 /nfs/dbraw/zinc/65/69/25/763656925.db2.gz QKWJIVQACNLDPI-GOSISDBHSA-N 1 2 342.443 0.693 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@]3(C)CCNC(=O)C3)C2)CC1 ZINC001052042844 763672310 /nfs/dbraw/zinc/67/23/10/763672310.db2.gz HYVURXHSIUJDPH-APWZRJJASA-N 1 2 348.491 0.697 20 30 ECEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn(CCF)c3)C2)CC1 ZINC001052045678 763683122 /nfs/dbraw/zinc/68/31/22/763683122.db2.gz WHYUTLLUOFYZEQ-OAHLLOKOSA-N 1 2 334.399 0.208 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001052046324 763687438 /nfs/dbraw/zinc/68/74/38/763687438.db2.gz ZGGTURIVGMRWHB-CHWSQXEVSA-N 1 2 349.460 0.430 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3coc(OCC)n3)C2)CC1 ZINC001052046823 763688898 /nfs/dbraw/zinc/68/88/98/763688898.db2.gz DTSYJRWSTDLEGL-CQSZACIVSA-N 1 2 332.404 0.539 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3coc(OCC)n3)C2)CC1 ZINC001052046823 763688901 /nfs/dbraw/zinc/68/89/01/763688901.db2.gz DTSYJRWSTDLEGL-CQSZACIVSA-N 1 2 332.404 0.539 20 30 ECEDLO COc1cc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)ccn1 ZINC001052048180 763695550 /nfs/dbraw/zinc/69/55/50/763695550.db2.gz NFRFMXXYMNRFRE-HNNXBMFYSA-N 1 2 329.404 0.446 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)CCc3cncnc3)C2)CC1 ZINC001052052031 763714066 /nfs/dbraw/zinc/71/40/66/763714066.db2.gz GCFTVKSJWULEQM-GOSISDBHSA-N 1 2 341.459 0.651 20 30 ECEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)[C@H]2CCc3c[nH+]cn3C2)nc1 ZINC001106015709 763717999 /nfs/dbraw/zinc/71/79/99/763717999.db2.gz LYWUBNCWMQJNNX-DZGCQCFKSA-N 1 2 340.387 0.301 20 30 ECEDLO CCc1cc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)c(C)nn1 ZINC001052057038 763729849 /nfs/dbraw/zinc/72/98/49/763729849.db2.gz JVBFBWRWMKHYRP-MRXNPFEDSA-N 1 2 342.447 0.703 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cn(C(C)C)cn3)C2)CC1 ZINC001052058592 763734733 /nfs/dbraw/zinc/73/47/33/763734733.db2.gz YXCIZKPWBZAMJG-MRXNPFEDSA-N 1 2 329.448 0.929 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@@H]3CCC(=O)N3C)C2)CC1 ZINC001052060400 763739903 /nfs/dbraw/zinc/73/99/03/763739903.db2.gz CUHKXZTZCXJPCG-DLBZAZTESA-N 1 2 346.475 0.239 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3CCC(=O)N3C)C2)CC1 ZINC001052061270 763743404 /nfs/dbraw/zinc/74/34/04/763743404.db2.gz VRFWPTGWQXQXDI-IAGOWNOFSA-N 1 2 348.491 0.792 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C2)CC1 ZINC001052071349 763772157 /nfs/dbraw/zinc/77/21/57/763772157.db2.gz SMYRDUZBCVWBHT-CQSZACIVSA-N 1 2 331.420 0.178 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)c3c[nH]c(=O)cc3C)C2)CC1 ZINC001052081421 763799021 /nfs/dbraw/zinc/79/90/21/763799021.db2.gz MGYNAHBYGKAMFN-INIZCTEOSA-N 1 2 342.443 0.951 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c[nH]c(=O)cc3C)C2)CC1 ZINC001052081483 763799357 /nfs/dbraw/zinc/79/93/57/763799357.db2.gz MPBPITADICSXSL-MRXNPFEDSA-N 1 2 342.443 0.951 20 30 ECEDLO CCN(CCNc1ccnc(C#N)n1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001106960008 763833260 /nfs/dbraw/zinc/83/32/60/763833260.db2.gz VHFUNAUBRZJANO-CHWSQXEVSA-N 1 2 339.403 0.568 20 30 ECEDLO C=CCN1CC[NH+]([C@H]2CCN(C(=O)c3c(C)nn(C)c3OC)C2)CC1 ZINC001052092721 763834378 /nfs/dbraw/zinc/83/43/78/763834378.db2.gz HEVRDEIANDXXBA-HNNXBMFYSA-N 1 2 347.463 0.755 20 30 ECEDLO 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765239128 /nfs/dbraw/zinc/23/91/28/765239128.db2.gz SWUUXSKUXZSYGX-OAGGEKHMSA-N 1 2 335.448 0.827 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC001015722116 765239132 /nfs/dbraw/zinc/23/91/32/765239132.db2.gz SWUUXSKUXZSYGX-OAGGEKHMSA-N 1 2 335.448 0.827 20 30 ECEDLO N#Cc1ccc(C(=O)NCC2CC(NC(=O)Cc3c[nH]c[nH+]3)C2)[nH]1 ZINC000992046593 765275689 /nfs/dbraw/zinc/27/56/89/765275689.db2.gz TYGLMCIBFYZIHZ-UHFFFAOYSA-N 1 2 326.360 0.477 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3nncn3C)CC2)nc1 ZINC001052876816 765280705 /nfs/dbraw/zinc/28/07/05/765280705.db2.gz ZPZWVTVBZQLTEG-HNNXBMFYSA-N 1 2 338.415 0.976 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3nncn3C)CC2)nc1 ZINC001052876816 765280713 /nfs/dbraw/zinc/28/07/13/765280713.db2.gz ZPZWVTVBZQLTEG-HNNXBMFYSA-N 1 2 338.415 0.976 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccnc(OC)n3)C2)nn1 ZINC001015811451 765370784 /nfs/dbraw/zinc/37/07/84/765370784.db2.gz GRWNULFJVOILLP-ZDUSSCGKSA-N 1 2 343.391 0.267 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccnc(OC)n3)C2)nn1 ZINC001015811451 765370790 /nfs/dbraw/zinc/37/07/90/765370790.db2.gz GRWNULFJVOILLP-ZDUSSCGKSA-N 1 2 343.391 0.267 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cnc(C)cn3)C2)nn1 ZINC001015820484 765383006 /nfs/dbraw/zinc/38/30/06/765383006.db2.gz HZFYODUDRJUSCQ-AWEZNQCLSA-N 1 2 341.419 0.957 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cnc(C)cn3)C2)nn1 ZINC001015820484 765383016 /nfs/dbraw/zinc/38/30/16/765383016.db2.gz HZFYODUDRJUSCQ-AWEZNQCLSA-N 1 2 341.419 0.957 20 30 ECEDLO Cn1ncc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC001015843503 765428170 /nfs/dbraw/zinc/42/81/70/765428170.db2.gz ADRJGIIDIQLHDR-CYBMUJFWSA-N 1 2 328.351 0.830 20 30 ECEDLO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC001015843503 765428172 /nfs/dbraw/zinc/42/81/72/765428172.db2.gz ADRJGIIDIQLHDR-CYBMUJFWSA-N 1 2 328.351 0.830 20 30 ECEDLO CC(C)C#CC(=O)NC[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001053035534 765509632 /nfs/dbraw/zinc/50/96/32/765509632.db2.gz VMMXNCKFYZOXQH-CABCVRRESA-N 1 2 330.432 0.833 20 30 ECEDLO CC(C)C#CC(=O)NC[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001053035535 765509892 /nfs/dbraw/zinc/50/98/92/765509892.db2.gz VMMXNCKFYZOXQH-GJZGRUSLSA-N 1 2 330.432 0.833 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3coc(COC)n3)C2)C1=O ZINC001015917693 765550045 /nfs/dbraw/zinc/55/00/45/765550045.db2.gz HPEZDQUDTMNHID-OCCSQVGLSA-N 1 2 348.403 0.412 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3coc(COC)n3)C2)C1=O ZINC001015917693 765550049 /nfs/dbraw/zinc/55/00/49/765550049.db2.gz HPEZDQUDTMNHID-OCCSQVGLSA-N 1 2 348.403 0.412 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@H]2O)cc1 ZINC001077493547 765583292 /nfs/dbraw/zinc/58/32/92/765583292.db2.gz APAKAOOMEIJKLU-IAGOWNOFSA-N 1 2 341.411 0.064 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]2O)cc1 ZINC001077493547 765583298 /nfs/dbraw/zinc/58/32/98/765583298.db2.gz APAKAOOMEIJKLU-IAGOWNOFSA-N 1 2 341.411 0.064 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)CCNc1ncnc2c1C[N@H+](C)CC2 ZINC001106441503 768308445 /nfs/dbraw/zinc/30/84/45/768308445.db2.gz ASSXLBRFBUPSPI-AWEZNQCLSA-N 1 2 345.447 0.811 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)CCNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106441503 768308451 /nfs/dbraw/zinc/30/84/51/768308451.db2.gz ASSXLBRFBUPSPI-AWEZNQCLSA-N 1 2 345.447 0.811 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)CCNc1[nH+]cnc2c1cnn2C ZINC001106441810 768308564 /nfs/dbraw/zinc/30/85/64/768308564.db2.gz GBEBRISOMGJCAM-LBPRGKRZSA-N 1 2 330.392 0.710 20 30 ECEDLO C[C@@H](CCNC(=O)Cc1c[nH+]cn1C)NC(=O)c1c[nH]c(C#N)c1 ZINC001077498050 765707395 /nfs/dbraw/zinc/70/73/95/765707395.db2.gz GJHOVCURSXMSPS-NSHDSACASA-N 1 2 328.376 0.487 20 30 ECEDLO N#Cc1cnccc1NC[C@H](O)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001106104480 765750983 /nfs/dbraw/zinc/75/09/83/765750983.db2.gz MMXUIOOGEDPVSZ-QWHCGFSZSA-N 1 2 340.387 0.107 20 30 ECEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2sccn2c1=O ZINC001017717979 768321311 /nfs/dbraw/zinc/32/13/11/768321311.db2.gz YIGQZXGAPVDRCB-TXEJJXNPSA-N 1 2 328.397 0.678 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnc2sccn2c1=O ZINC001017717979 768321317 /nfs/dbraw/zinc/32/13/17/768321317.db2.gz YIGQZXGAPVDRCB-TXEJJXNPSA-N 1 2 328.397 0.678 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)C[C@H]1CCOC[C@@H]1OC)CCO2 ZINC001053284633 765903555 /nfs/dbraw/zinc/90/35/55/765903555.db2.gz CFBLSUDLDQIAQJ-CVEARBPZSA-N 1 2 338.448 0.917 20 30 ECEDLO CC#CCN1CC2(C1)CN(C(=O)[C@@H]1CCc3[nH+]c(C)[nH]c3C1)CCO2 ZINC001053315672 765956449 /nfs/dbraw/zinc/95/64/49/765956449.db2.gz IKULGVKQGYOJOT-OAHLLOKOSA-N 1 2 342.443 0.760 20 30 ECEDLO CC#CCN1CC2(C1)CN(C(=O)[C@@H]1CCc3[nH]c(C)[nH+]c3C1)CCO2 ZINC001053315672 765956452 /nfs/dbraw/zinc/95/64/52/765956452.db2.gz IKULGVKQGYOJOT-OAHLLOKOSA-N 1 2 342.443 0.760 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2nncn2CC1 ZINC001017745897 768343660 /nfs/dbraw/zinc/34/36/60/768343660.db2.gz VYPPATFWSWUDDJ-OAGGEKHMSA-N 1 2 327.432 0.929 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2nncn2CC1 ZINC001017745897 768343666 /nfs/dbraw/zinc/34/36/66/768343666.db2.gz VYPPATFWSWUDDJ-OAGGEKHMSA-N 1 2 327.432 0.929 20 30 ECEDLO C#CCN1CC2(C1)CN(C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)CCO2 ZINC001053359704 766030616 /nfs/dbraw/zinc/03/06/16/766030616.db2.gz SEVZWRFYQUCHSE-KRWDZBQOSA-N 1 2 347.459 0.034 20 30 ECEDLO C#CCN1CC2(C1)CN(C(=O)[C@@H]1COCC[N@H+]1CC1CCC1)CCO2 ZINC001053359704 766030623 /nfs/dbraw/zinc/03/06/23/766030623.db2.gz SEVZWRFYQUCHSE-KRWDZBQOSA-N 1 2 347.459 0.034 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001016373014 766195604 /nfs/dbraw/zinc/19/56/04/766195604.db2.gz RAWGFQXZXZDHPD-UHFFFAOYSA-N 1 2 326.360 0.571 20 30 ECEDLO C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1CNC(=O)CSCC#N ZINC001053504886 766250966 /nfs/dbraw/zinc/25/09/66/766250966.db2.gz VOHVNFJNQCHNJQ-RYUDHWBXSA-N 1 2 335.433 0.420 20 30 ECEDLO C=C(C)CC[NH+]1CC2(C1)CN(C(=O)c1nccnc1C(N)=O)CCO2 ZINC001053527614 766282209 /nfs/dbraw/zinc/28/22/09/766282209.db2.gz UEINKZODKRAWJD-UHFFFAOYSA-N 1 2 345.403 0.069 20 30 ECEDLO C[C@@H](CCNc1ccnc(C#N)n1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001106486146 768366223 /nfs/dbraw/zinc/36/62/23/768366223.db2.gz YFYOLLLCZPKOBK-STQMWFEESA-N 1 2 339.403 0.536 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCc3nncn3C1)CCO2 ZINC001053540760 766306152 /nfs/dbraw/zinc/30/61/52/766306152.db2.gz FIVFVDMNFFQPHR-CQSZACIVSA-N 1 2 331.420 0.330 20 30 ECEDLO COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)c2cn(C)nn2)C1 ZINC001031649466 766342275 /nfs/dbraw/zinc/34/22/75/766342275.db2.gz BNHAIOBBAFFFKA-UHFFFAOYSA-N 1 2 340.387 0.557 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3cn(C)nc3C)C[C@@H]2O)cc1 ZINC001083690866 766353549 /nfs/dbraw/zinc/35/35/49/766353549.db2.gz OJIMVVZXPOWQTH-MSOLQXFVSA-N 1 2 338.411 0.685 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3cn(C)nc3C)C[C@@H]2O)cc1 ZINC001083690866 766353558 /nfs/dbraw/zinc/35/35/58/766353558.db2.gz OJIMVVZXPOWQTH-MSOLQXFVSA-N 1 2 338.411 0.685 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnc3n1CCOC3)O2 ZINC001053613466 766434293 /nfs/dbraw/zinc/43/42/93/766434293.db2.gz FFIFJFJTCXRTIP-AWEZNQCLSA-N 1 2 346.431 0.953 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1nc(C)c(C)[nH]c1=O)O2 ZINC001053616235 766440499 /nfs/dbraw/zinc/44/04/99/766440499.db2.gz YEIULDLJNITXRT-CYBMUJFWSA-N 1 2 332.404 0.948 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCN(C)C(=O)C1)O2 ZINC001053618994 766447853 /nfs/dbraw/zinc/44/78/53/766447853.db2.gz ICHZAOLJCUKSNH-CABCVRRESA-N 1 2 335.448 0.781 20 30 ECEDLO C#CCN1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCn3cc[nH+]c3C1)O2 ZINC001053619710 766450509 /nfs/dbraw/zinc/45/05/09/766450509.db2.gz VDIDCOJCDGBYDW-LSDHHAIUSA-N 1 2 328.416 0.428 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCC[C@@]2(CC[N@H+](Cc3nnnn3C)C2)C1 ZINC001045923686 766496384 /nfs/dbraw/zinc/49/63/84/766496384.db2.gz CPWHFYBAVNHCRH-BBRMVZONSA-N 1 2 331.424 0.574 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCCC[C@@]2(CC[N@@H+](Cc3nnnn3C)C2)C1 ZINC001045923686 766496389 /nfs/dbraw/zinc/49/63/89/766496389.db2.gz CPWHFYBAVNHCRH-BBRMVZONSA-N 1 2 331.424 0.574 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C(C)C)O2 ZINC001053649831 766512216 /nfs/dbraw/zinc/51/22/16/766512216.db2.gz YAXLYDAHIAUROJ-GJZGRUSLSA-N 1 2 335.448 0.921 20 30 ECEDLO C#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCc3[nH+]c[nH]c31)O2 ZINC001053661969 766533626 /nfs/dbraw/zinc/53/36/26/766533626.db2.gz BHYYPHWCFSXPGQ-UONOGXRCSA-N 1 2 328.416 0.812 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCCN1C(N)=O)O2 ZINC001053687803 766591865 /nfs/dbraw/zinc/59/18/65/766591865.db2.gz ZJWNCEUTHNBUEM-KGLIPLIRSA-N 1 2 336.436 0.455 20 30 ECEDLO Cc1cc(NC[C@@H](O)CNC(=O)C[C@H](C)n2cc[nH+]c2)c(C#N)cn1 ZINC001106131861 766596721 /nfs/dbraw/zinc/59/67/21/766596721.db2.gz LVWPXBHSVBEPRF-DZGCQCFKSA-N 1 2 342.403 0.420 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C1CCN(C(C)=O)CC1)O2 ZINC001053696330 766608314 /nfs/dbraw/zinc/60/83/14/766608314.db2.gz GDRQYHVXURPHDT-MRXNPFEDSA-N 1 2 335.448 0.781 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccnc(OC)c2)C[C@H]1OC ZINC001212258404 766612828 /nfs/dbraw/zinc/61/28/28/766612828.db2.gz SDIQZKVUGNXLFY-FVQBIDKESA-N 1 2 347.415 0.444 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccnc(OC)c2)C[C@H]1OC ZINC001212258404 766612832 /nfs/dbraw/zinc/61/28/32/766612832.db2.gz SDIQZKVUGNXLFY-FVQBIDKESA-N 1 2 347.415 0.444 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cccc(C(N)=O)n1)O2 ZINC001053701935 766624560 /nfs/dbraw/zinc/62/45/60/766624560.db2.gz JOGPRRMLUDEPQQ-ZDUSSCGKSA-N 1 2 344.415 0.720 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[NH+]([C@@H]2CCN(Cc3cnsn3)C2)CC1 ZINC001046012261 766637884 /nfs/dbraw/zinc/63/78/84/766637884.db2.gz MPTCRLQAYOBNHT-GXTWGEPZSA-N 1 2 334.449 0.416 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCN([C@H]2CC[N@H+](Cc3nccn3C)C2)CC1 ZINC001046013454 766642169 /nfs/dbraw/zinc/64/21/69/766642169.db2.gz YTNQQCZPQWPZHR-GJZGRUSLSA-N 1 2 330.436 0.298 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3nccn3C)C2)CC1 ZINC001046013454 766642172 /nfs/dbraw/zinc/64/21/72/766642172.db2.gz YTNQQCZPQWPZHR-GJZGRUSLSA-N 1 2 330.436 0.298 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(C3CC3)no2)C[C@H]1OC ZINC001212264290 766739102 /nfs/dbraw/zinc/73/91/02/766739102.db2.gz FXGMRYMTONRRGD-CSMYWGQOSA-N 1 2 347.415 0.906 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2cc(C3CC3)no2)C[C@H]1OC ZINC001212264290 766739111 /nfs/dbraw/zinc/73/91/11/766739111.db2.gz FXGMRYMTONRRGD-CSMYWGQOSA-N 1 2 347.415 0.906 20 30 ECEDLO CCOc1cc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)[nH]n1 ZINC001046038798 766739548 /nfs/dbraw/zinc/73/95/48/766739548.db2.gz JIUFVSDFBJRCPV-CYBMUJFWSA-N 1 2 332.408 0.164 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@H]1OC ZINC001212264445 766744230 /nfs/dbraw/zinc/74/42/30/766744230.db2.gz JIPCGTDPXRLDKB-NUEKZKHPSA-N 1 2 332.404 0.139 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2nccnc2C)C[C@H]1OC ZINC001212264445 766744233 /nfs/dbraw/zinc/74/42/33/766744233.db2.gz JIPCGTDPXRLDKB-NUEKZKHPSA-N 1 2 332.404 0.139 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cnc4ccccn34)CC2)C1 ZINC001046039961 766745295 /nfs/dbraw/zinc/74/52/95/766745295.db2.gz BRBUYMBOSJADEL-OAHLLOKOSA-N 1 2 338.415 0.690 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@H]3CCn4ccnc4C3)CC2)C1 ZINC001046040822 766749799 /nfs/dbraw/zinc/74/97/99/766749799.db2.gz LRWZBYYDRZBHJG-HOTGVXAUSA-N 1 2 342.447 0.188 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cccc(C(N)=O)c3)CC2)C1 ZINC001046041076 766751089 /nfs/dbraw/zinc/75/10/89/766751089.db2.gz NRLJWMCZZJGMLQ-INIZCTEOSA-N 1 2 341.415 0.141 20 30 ECEDLO Cc1ccn([C@@H](C)CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)n1 ZINC001046050654 766787520 /nfs/dbraw/zinc/78/75/20/766787520.db2.gz MZZSPOWVKYXMGC-IRXDYDNUSA-N 1 2 344.463 0.885 20 30 ECEDLO COc1cc(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)cc(C)n1 ZINC001046059011 766820344 /nfs/dbraw/zinc/82/03/44/766820344.db2.gz XFJAOPYWIRUQSL-INIZCTEOSA-N 1 2 343.431 0.754 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3cnn4ccccc34)CC2)C1 ZINC001046071805 766880165 /nfs/dbraw/zinc/88/01/65/766880165.db2.gz NEEJWIPSYLITOD-HNNXBMFYSA-N 1 2 338.415 0.690 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC(OC2CN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC000994822916 766901125 /nfs/dbraw/zinc/90/11/25/766901125.db2.gz SKOJUNWRVGFCNL-ZDUSSCGKSA-N 1 2 345.403 0.261 20 30 ECEDLO Cc1nsc(NC[C@H](O)CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1C#N ZINC001106135060 766903954 /nfs/dbraw/zinc/90/39/54/766903954.db2.gz KVSRRFRPMJKBFE-JOYOIKCWSA-N 1 2 348.432 0.814 20 30 ECEDLO Cc1nsc(NC[C@H](O)CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1C#N ZINC001106135060 766903961 /nfs/dbraw/zinc/90/39/61/766903961.db2.gz KVSRRFRPMJKBFE-JOYOIKCWSA-N 1 2 348.432 0.814 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)CC)C1)CO2 ZINC001053813360 766909017 /nfs/dbraw/zinc/90/90/17/766909017.db2.gz PIPXRGBOAZWQDC-HZPDHXFCSA-N 1 2 347.459 0.618 20 30 ECEDLO Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)n1 ZINC001106135698 766910076 /nfs/dbraw/zinc/91/00/76/766910076.db2.gz ZGBVZEMRLNNXRS-YGRLFVJLSA-N 1 2 343.391 0.148 20 30 ECEDLO Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)n1 ZINC001106135698 766910081 /nfs/dbraw/zinc/91/00/81/766910081.db2.gz ZGBVZEMRLNNXRS-YGRLFVJLSA-N 1 2 343.391 0.148 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cccn3nnnc13)CO2 ZINC001053814466 766911883 /nfs/dbraw/zinc/91/18/83/766911883.db2.gz NZUIVZDKISICOS-LBPRGKRZSA-N 1 2 328.376 0.274 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3ncncc3C1)CO2 ZINC001053826658 766952939 /nfs/dbraw/zinc/95/29/39/766952939.db2.gz GZWMOXLJJMHRKD-HOCLYGCPSA-N 1 2 340.427 0.564 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccnc3ccnn31)CO2 ZINC001053827501 766956288 /nfs/dbraw/zinc/95/62/88/766956288.db2.gz AWFOMNAHQHCQRL-ZDUSSCGKSA-N 1 2 325.372 0.326 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc3n(n1)CCCC3)CO2 ZINC001053839489 766985647 /nfs/dbraw/zinc/98/56/47/766985647.db2.gz HAMMRIZXEMVMEC-CQSZACIVSA-N 1 2 328.416 0.816 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3ocnc3C)C[C@@H]2O)c1 ZINC001083764923 766998545 /nfs/dbraw/zinc/99/85/45/766998545.db2.gz FCMDCEYUUWNVNF-CABCVRRESA-N 1 2 326.356 0.334 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3ocnc3C)C[C@@H]2O)c1 ZINC001083764923 766998548 /nfs/dbraw/zinc/99/85/48/766998548.db2.gz FCMDCEYUUWNVNF-CABCVRRESA-N 1 2 326.356 0.334 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3nccn3C1)CO2 ZINC001053853007 767024493 /nfs/dbraw/zinc/02/44/93/767024493.db2.gz VLZBVUPBXWJVAY-HUUCEWRRSA-N 1 2 330.432 0.981 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1n[nH]c3c1CCCC3)CO2 ZINC001053861242 767056338 /nfs/dbraw/zinc/05/63/38/767056338.db2.gz FEXWKTZNCPHFNR-CYBMUJFWSA-N 1 2 328.416 0.885 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc3c(c1)nnn3C)CO2 ZINC001053872062 767093715 /nfs/dbraw/zinc/09/37/15/767093715.db2.gz QZESTBPICRIPOZ-CYBMUJFWSA-N 1 2 342.403 0.513 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC(N)=O)nn1 ZINC001089705830 767104545 /nfs/dbraw/zinc/10/45/45/767104545.db2.gz AXZFQONDLNSMJP-CYBMUJFWSA-N 1 2 348.451 0.560 20 30 ECEDLO C=CCCn1cc(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC(N)=O)nn1 ZINC001089705830 767104546 /nfs/dbraw/zinc/10/45/46/767104546.db2.gz AXZFQONDLNSMJP-CYBMUJFWSA-N 1 2 348.451 0.560 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC(C)(C)C[N@H+]2CC(N)=O)nn1 ZINC001089707414 767105197 /nfs/dbraw/zinc/10/51/97/767105197.db2.gz JGOWOFFBVVUYSK-GFCCVEGCSA-N 1 2 334.424 0.170 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC(N)=O)nn1 ZINC001089707414 767105199 /nfs/dbraw/zinc/10/51/99/767105199.db2.gz JGOWOFFBVVUYSK-GFCCVEGCSA-N 1 2 334.424 0.170 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(C3CCC3)c2)[C@H](OC)C1 ZINC001212279610 767109435 /nfs/dbraw/zinc/10/94/35/767109435.db2.gz PPOCNPDRSMPTPG-IAGOWNOFSA-N 1 2 346.431 0.687 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)c2cnn(C3CCC3)c2)[C@H](OC)C1 ZINC001212279610 767109437 /nfs/dbraw/zinc/10/94/37/767109437.db2.gz PPOCNPDRSMPTPG-IAGOWNOFSA-N 1 2 346.431 0.687 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001046363934 767171357 /nfs/dbraw/zinc/17/13/57/767171357.db2.gz GWNMELVPKZOIRD-XJKSGUPXSA-N 1 2 343.855 0.814 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001046363934 767171359 /nfs/dbraw/zinc/17/13/59/767171359.db2.gz GWNMELVPKZOIRD-XJKSGUPXSA-N 1 2 343.855 0.814 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(CC=C)CC=C)[C@H](OC)C1 ZINC001212320805 767211972 /nfs/dbraw/zinc/21/19/72/767211972.db2.gz BNPCIMGHEPFCEL-DJIMGWMZSA-N 1 2 347.459 0.708 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(CC=C)CC=C)[C@H](OC)C1 ZINC001212320805 767211973 /nfs/dbraw/zinc/21/19/73/767211973.db2.gz BNPCIMGHEPFCEL-DJIMGWMZSA-N 1 2 347.459 0.708 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cc1ncccc1OC)CO2 ZINC001053907087 767322855 /nfs/dbraw/zinc/32/28/55/767322855.db2.gz OXDBSLDVUGDSIE-CQSZACIVSA-N 1 2 329.400 0.616 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCc3nnn(C)c3C1)CO2 ZINC001053908725 767331217 /nfs/dbraw/zinc/33/12/17/767331217.db2.gz ZPESYMWPRASYAS-UONOGXRCSA-N 1 2 345.447 0.456 20 30 ECEDLO CC#CCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CO2 ZINC001053931448 767392031 /nfs/dbraw/zinc/39/20/31/767392031.db2.gz YJEYMPHOZXLPTA-RBSFLKMASA-N 1 2 328.416 0.506 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnc(C3CC3)[nH]c1=O)CO2 ZINC001053950163 767434350 /nfs/dbraw/zinc/43/43/50/767434350.db2.gz WHRFZWPCPSKMIM-CYBMUJFWSA-N 1 2 342.399 0.656 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3nncn3c1)CO2 ZINC001053955520 767443979 /nfs/dbraw/zinc/44/39/79/767443979.db2.gz LMHKZPQBOGPJSM-AWEZNQCLSA-N 1 2 327.388 0.879 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1COC2(C[NH+](C[C@H](C)O)C2)C1 ZINC001053977137 767510184 /nfs/dbraw/zinc/51/01/84/767510184.db2.gz NVCSDPGOSDXSLG-KBPBESRZSA-N 1 2 347.415 0.600 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCCN1C(N)=O)CO2 ZINC001053980169 767519810 /nfs/dbraw/zinc/51/98/10/767519810.db2.gz IQQMHDJJLDJAFC-KBPBESRZSA-N 1 2 336.436 0.455 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CCC)CO2 ZINC001054014476 767601033 /nfs/dbraw/zinc/60/10/33/767601033.db2.gz BKSFQERDPFXQFH-CVEARBPZSA-N 1 2 347.459 0.760 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCc3nnc(C)n3C1)CO2 ZINC001054015199 767602918 /nfs/dbraw/zinc/60/29/18/767602918.db2.gz CSTOCCIHKSJWIC-CABCVRRESA-N 1 2 343.431 0.132 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3nnc(C)n3C1)CO2 ZINC001054015200 767603242 /nfs/dbraw/zinc/60/32/42/767603242.db2.gz CSTOCCIHKSJWIC-GJZGRUSLSA-N 1 2 343.431 0.132 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cccc(C(N)=O)n1)CO2 ZINC001054020935 767614852 /nfs/dbraw/zinc/61/48/52/767614852.db2.gz XQZUGBCEGGXFFS-LBPRGKRZSA-N 1 2 330.388 0.330 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001054036087 767634932 /nfs/dbraw/zinc/63/49/32/767634932.db2.gz BTDMVUBETXPJSW-NVXWUHKLSA-N 1 2 325.412 0.689 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001054036087 767634937 /nfs/dbraw/zinc/63/49/37/767634937.db2.gz BTDMVUBETXPJSW-NVXWUHKLSA-N 1 2 325.412 0.689 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cn(C)c(=O)n1C ZINC001054060166 767656822 /nfs/dbraw/zinc/65/68/22/767656822.db2.gz IESQBCGMMVSNDP-INIZCTEOSA-N 1 2 338.411 0.514 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cn(C)c(=O)n1C ZINC001054060166 767656825 /nfs/dbraw/zinc/65/68/25/767656825.db2.gz IESQBCGMMVSNDP-INIZCTEOSA-N 1 2 338.411 0.514 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cccnc1C(N)=O ZINC001054059537 767657195 /nfs/dbraw/zinc/65/71/95/767657195.db2.gz ROXRAWZBPBBFET-INIZCTEOSA-N 1 2 348.406 0.970 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cccnc1C(N)=O ZINC001054059537 767657199 /nfs/dbraw/zinc/65/71/99/767657199.db2.gz ROXRAWZBPBBFET-INIZCTEOSA-N 1 2 348.406 0.970 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001031078736 767822204 /nfs/dbraw/zinc/82/22/04/767822204.db2.gz UZEFIXAVUXVOIP-IKGGRYGDSA-N 1 2 348.447 0.416 20 30 ECEDLO C[C@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001018086403 768702623 /nfs/dbraw/zinc/70/26/23/768702623.db2.gz FYLJMQUFBCXNDJ-WCQYABFASA-N 1 2 340.387 0.961 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@@H](n2cc(C[NH2+]CC#CC)nn2)C1 ZINC001098790650 768775640 /nfs/dbraw/zinc/77/56/40/768775640.db2.gz YCRXGYKNLUXSGO-MRXNPFEDSA-N 1 2 331.420 0.757 20 30 ECEDLO N#Cc1cnccc1N[C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001060557658 768806843 /nfs/dbraw/zinc/80/68/43/768806843.db2.gz OQLGFWZUOKQXLS-XGWLTEMNSA-N 1 2 336.399 0.990 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N ZINC001055371094 768822726 /nfs/dbraw/zinc/82/27/26/768822726.db2.gz YIDQGMBSZVQAGN-KYOSRNDESA-N 1 2 337.387 0.848 20 30 ECEDLO CC#CCCCC(=O)N1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001055387226 768846468 /nfs/dbraw/zinc/84/64/68/768846468.db2.gz IVIYWHPJNTUJTH-IYBDPMFKSA-N 1 2 328.416 0.994 20 30 ECEDLO C[C@H](C[C@@H](C)Nc1ccnc(C#N)n1)NC(=O)Cc1c[nH+]cn1C ZINC001089353410 769010275 /nfs/dbraw/zinc/01/02/75/769010275.db2.gz YXSINSIMKGSELL-VXGBXAGGSA-N 1 2 327.392 0.442 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1nc(C2CC2)nn1C ZINC001018292813 769046297 /nfs/dbraw/zinc/04/62/97/769046297.db2.gz MIUPJYAFIDKZAA-GASCZTMLSA-N 1 2 327.432 0.934 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1nc(C2CC2)nn1C ZINC001018292813 769046306 /nfs/dbraw/zinc/04/63/06/769046306.db2.gz MIUPJYAFIDKZAA-GASCZTMLSA-N 1 2 327.432 0.934 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccncn3)C2)CC1 ZINC001018372390 769231940 /nfs/dbraw/zinc/23/19/40/769231940.db2.gz PCGLYKIKRXIQFE-HNNXBMFYSA-N 1 2 343.431 0.659 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NCC[NH+]1CCC(NC(=O)c2ncn[nH]2)CC1 ZINC001055619793 769269702 /nfs/dbraw/zinc/26/97/02/769269702.db2.gz CPYLBPOWBVBGKJ-CYBMUJFWSA-N 1 2 348.451 0.717 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)NCC[NH+]1CCC(NC(=O)c2nc[nH]n2)CC1 ZINC001055619793 769269707 /nfs/dbraw/zinc/26/97/07/769269707.db2.gz CPYLBPOWBVBGKJ-CYBMUJFWSA-N 1 2 348.451 0.717 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC2(CN(C(C)=O)C2)n2ccnc21 ZINC000993666275 769450671 /nfs/dbraw/zinc/45/06/71/769450671.db2.gz VIHMODNTRDUCLR-GJZGRUSLSA-N 1 2 341.415 0.099 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC2(CN(C(C)=O)C2)n2ccnc21 ZINC000993666275 769450674 /nfs/dbraw/zinc/45/06/74/769450674.db2.gz VIHMODNTRDUCLR-GJZGRUSLSA-N 1 2 341.415 0.099 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC3CC3)[C@@H]2C)c1 ZINC000993770993 769592821 /nfs/dbraw/zinc/59/28/21/769592821.db2.gz KILLMZLXUKKDBM-CXAGYDPISA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NC3CC3)[C@@H]2C)c1 ZINC000993770993 769592829 /nfs/dbraw/zinc/59/28/29/769592829.db2.gz KILLMZLXUKKDBM-CXAGYDPISA-N 1 2 340.427 0.924 20 30 ECEDLO COCc1noc(C[NH2+]C[C@H]2CN(C(=O)[C@H](C)C#N)CCCO2)n1 ZINC001078359753 782771020 /nfs/dbraw/zinc/77/10/20/782771020.db2.gz DGBJEVZFJHPOPH-NEPJUHHUSA-N 1 2 337.380 0.083 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NC)[C@H]2C)nn1 ZINC000993991388 769973690 /nfs/dbraw/zinc/97/36/90/769973690.db2.gz UKJKAAWNKIWFEQ-STQMWFEESA-N 1 2 334.424 0.183 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2CCC[N@H+](CC(=O)NC)[C@H]2C)nn1 ZINC000993991388 769973699 /nfs/dbraw/zinc/97/36/99/769973699.db2.gz UKJKAAWNKIWFEQ-STQMWFEESA-N 1 2 334.424 0.183 20 30 ECEDLO Cn1c[nH+]cc1CCC(=O)N1CCN(c2ccnc(C#N)n2)CC1 ZINC001055875839 770060524 /nfs/dbraw/zinc/06/05/24/770060524.db2.gz NRHCDZUXTYZHLQ-UHFFFAOYSA-N 1 2 325.376 0.363 20 30 ECEDLO N#Cc1nccc(N2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)n1 ZINC001055941183 770302028 /nfs/dbraw/zinc/30/20/28/770302028.db2.gz ZWDFZPJLNGYKGL-ZDUSSCGKSA-N 1 2 337.387 0.456 20 30 ECEDLO O=C(C#CC1CC1)N[C@]1(CO)CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001055941602 770303553 /nfs/dbraw/zinc/30/35/53/770303553.db2.gz VDKNSFXPEDRCAQ-GOSISDBHSA-N 1 2 344.415 0.225 20 30 ECEDLO O=C(C#CC1CC1)N[C@]1(CO)CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001055941602 770303564 /nfs/dbraw/zinc/30/35/64/770303564.db2.gz VDKNSFXPEDRCAQ-GOSISDBHSA-N 1 2 344.415 0.225 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC)[C@H]1C ZINC000994207748 770305571 /nfs/dbraw/zinc/30/55/71/770305571.db2.gz SQUVMPSGHBPPOJ-UONOGXRCSA-N 1 2 346.431 0.975 20 30 ECEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC)[C@H]1C ZINC000994207748 770305582 /nfs/dbraw/zinc/30/55/82/770305582.db2.gz SQUVMPSGHBPPOJ-UONOGXRCSA-N 1 2 346.431 0.975 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](C)C3CCOCC3)C2)nn1 ZINC001098797256 770402333 /nfs/dbraw/zinc/40/23/33/770402333.db2.gz QKYSHTVNNZOQOZ-RHSMWYFYSA-N 1 2 345.447 0.837 20 30 ECEDLO Cc1nocc1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083743453 770405746 /nfs/dbraw/zinc/40/57/46/770405746.db2.gz QUYMJPSMDUCTGH-CVEARBPZSA-N 1 2 326.356 0.830 20 30 ECEDLO Cc1nocc1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083743453 770405752 /nfs/dbraw/zinc/40/57/52/770405752.db2.gz QUYMJPSMDUCTGH-CVEARBPZSA-N 1 2 326.356 0.830 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=O)NC3CC3)[C@H]2C)nc1 ZINC000994261257 770484615 /nfs/dbraw/zinc/48/46/15/770484615.db2.gz ZWTTTXSBLAGPRV-BBRMVZONSA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NC3CC3)[C@H]2C)nc1 ZINC000994261257 770484618 /nfs/dbraw/zinc/48/46/18/770484618.db2.gz ZWTTTXSBLAGPRV-BBRMVZONSA-N 1 2 340.427 0.924 20 30 ECEDLO C#CCCCCC(=O)N1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001055996533 770492166 /nfs/dbraw/zinc/49/21/66/770492166.db2.gz GCBXRJHIZHPCIE-GOSISDBHSA-N 1 2 346.431 0.546 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001055997613 770498354 /nfs/dbraw/zinc/49/83/54/770498354.db2.gz DGTKYQATWCPWAV-QAPCUYQASA-N 1 2 348.447 0.955 20 30 ECEDLO CCN(CCNc1ccnc(C#N)n1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001106876464 770509549 /nfs/dbraw/zinc/50/95/49/770509549.db2.gz OYAWTGJXEWCTBK-CYBMUJFWSA-N 1 2 339.403 0.490 20 30 ECEDLO Cc1cc(C#N)nc(N2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)n1 ZINC001056046668 770665276 /nfs/dbraw/zinc/66/52/76/770665276.db2.gz WEVNOGBOZPHHEN-GFCCVEGCSA-N 1 2 339.403 0.907 20 30 ECEDLO Cc1cc(C#N)nc(N2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)n1 ZINC001056046668 770665281 /nfs/dbraw/zinc/66/52/81/770665281.db2.gz WEVNOGBOZPHHEN-GFCCVEGCSA-N 1 2 339.403 0.907 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H]1C ZINC000994367982 770667756 /nfs/dbraw/zinc/66/77/56/770667756.db2.gz VAHSZZAQJQLIND-RYUDHWBXSA-N 1 2 342.827 0.602 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H]1C ZINC000994367982 770667763 /nfs/dbraw/zinc/66/77/63/770667763.db2.gz VAHSZZAQJQLIND-RYUDHWBXSA-N 1 2 342.827 0.602 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccncc2C)[C@H](OC)C1 ZINC001212219072 770798377 /nfs/dbraw/zinc/79/83/77/770798377.db2.gz XIBSYTLPSWDXOH-FVQBIDKESA-N 1 2 346.431 0.510 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccncc2C)[C@H](OC)C1 ZINC001212219072 770798386 /nfs/dbraw/zinc/79/83/86/770798386.db2.gz XIBSYTLPSWDXOH-FVQBIDKESA-N 1 2 346.431 0.510 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C3(C)CC=CC3)[C@@H](O)C2)C1=O ZINC001083753078 770814086 /nfs/dbraw/zinc/81/40/86/770814086.db2.gz ZLWDYYXQYGCEPE-ILXRZTDVSA-N 1 2 333.432 0.291 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C3(C)CC=CC3)[C@@H](O)C2)C1=O ZINC001083753078 770814091 /nfs/dbraw/zinc/81/40/91/770814091.db2.gz ZLWDYYXQYGCEPE-ILXRZTDVSA-N 1 2 333.432 0.291 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C3(C)CC=CC3)[C@@H](O)C2)C1=O ZINC001083753079 770814127 /nfs/dbraw/zinc/81/41/27/770814127.db2.gz ZLWDYYXQYGCEPE-KFWWJZLASA-N 1 2 333.432 0.291 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C3(C)CC=CC3)[C@@H](O)C2)C1=O ZINC001083753079 770814132 /nfs/dbraw/zinc/81/41/32/770814132.db2.gz ZLWDYYXQYGCEPE-KFWWJZLASA-N 1 2 333.432 0.291 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC001019135589 770895294 /nfs/dbraw/zinc/89/52/94/770895294.db2.gz BHDKAGPREOTBRF-KGLIPLIRSA-N 1 2 341.415 0.666 20 30 ECEDLO CC#CCCCC(=O)N1CCC[C@](CO)(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001056159032 770957530 /nfs/dbraw/zinc/95/75/30/770957530.db2.gz DFRYYXMJVVEYHX-SFHVURJKSA-N 1 2 346.431 0.616 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)C[C@H](C)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001089396776 771042365 /nfs/dbraw/zinc/04/23/65/771042365.db2.gz PSBOGLFCWUGVHB-STQMWFEESA-N 1 2 348.451 0.981 20 30 ECEDLO N#Cc1cncc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCn3c[nH+]cc3C2)n1 ZINC001056326970 771130397 /nfs/dbraw/zinc/13/03/97/771130397.db2.gz MGGLDGGJOULLGZ-ZYIUAKIQSA-N 1 2 349.398 0.358 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC001019367297 771212185 /nfs/dbraw/zinc/21/21/85/771212185.db2.gz VHGSDDBCWMQJSR-UONOGXRCSA-N 1 2 341.415 0.666 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056401434 771226326 /nfs/dbraw/zinc/22/63/26/771226326.db2.gz GLOUIGQXIYPXBH-VNQPRFMTSA-N 1 2 344.415 0.582 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@H]3CCn4cc[nH+]c4C3)C2)c1 ZINC000994605005 771317316 /nfs/dbraw/zinc/31/73/16/771317316.db2.gz WCHKMTDXNJTOFK-LBPRGKRZSA-N 1 2 338.371 0.286 20 30 ECEDLO C[C@H](C[C@H](C)Nc1ccnc(C#N)n1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001089501487 771359686 /nfs/dbraw/zinc/35/96/86/771359686.db2.gz ZGMXMOZOZNNYMN-NWDGAFQWSA-N 1 2 327.392 0.821 20 30 ECEDLO C[C@H](C[C@H](C)Nc1ccnc(C#N)n1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001089501487 771359688 /nfs/dbraw/zinc/35/96/88/771359688.db2.gz ZGMXMOZOZNNYMN-NWDGAFQWSA-N 1 2 327.392 0.821 20 30 ECEDLO N#Cc1ccc(C(=O)NCC2C[NH+](CC(=O)N3CCCCCC3)C2)[nH]1 ZINC001031619595 771469752 /nfs/dbraw/zinc/46/97/52/771469752.db2.gz AELVLYSIEULKQK-UHFFFAOYSA-N 1 2 343.431 0.951 20 30 ECEDLO CN1CCOC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031620767 771477163 /nfs/dbraw/zinc/47/71/63/771477163.db2.gz CABFKWJAHBYTGU-KRWDZBQOSA-N 1 2 346.406 0.576 20 30 ECEDLO CO[C@@H]1C[N@H+](CC(=O)N2CCCC[C@H]2C)C[C@H]1NC(=O)C#CC1CC1 ZINC001212244046 771500750 /nfs/dbraw/zinc/50/07/50/771500750.db2.gz BPMJZKHTEXAXPX-DJIMGWMZSA-N 1 2 347.459 0.616 20 30 ECEDLO CO[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@H]2C)C[C@H]1NC(=O)C#CC1CC1 ZINC001212244046 771500753 /nfs/dbraw/zinc/50/07/53/771500753.db2.gz BPMJZKHTEXAXPX-DJIMGWMZSA-N 1 2 347.459 0.616 20 30 ECEDLO CO[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212246186 771541762 /nfs/dbraw/zinc/54/17/62/771541762.db2.gz MVYIQFVNLMAKBY-IAGOWNOFSA-N 1 2 347.459 0.618 20 30 ECEDLO CO[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1NC(=O)C#CC1CC1 ZINC001212246186 771541768 /nfs/dbraw/zinc/54/17/68/771541768.db2.gz MVYIQFVNLMAKBY-IAGOWNOFSA-N 1 2 347.459 0.618 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](Nc2ccc(C#N)nn2)C1 ZINC001056781742 771634011 /nfs/dbraw/zinc/63/40/11/771634011.db2.gz KNEVKQJAOZGDIM-MGPQQGTHSA-N 1 2 337.387 0.898 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001019882797 771956112 /nfs/dbraw/zinc/95/61/12/771956112.db2.gz OAKRJWDIDASNIK-CVEARBPZSA-N 1 2 342.399 0.125 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](N(C)c2ccc(C#N)nn2)C1 ZINC001057046513 771991293 /nfs/dbraw/zinc/99/12/93/771991293.db2.gz CPZOTTCPFMLYFV-SWLSCSKDSA-N 1 2 339.403 0.987 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](N(C)c2ccc(C#N)nn2)C1 ZINC001057046513 771991295 /nfs/dbraw/zinc/99/12/95/771991295.db2.gz CPZOTTCPFMLYFV-SWLSCSKDSA-N 1 2 339.403 0.987 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](N(C)c2cnc(C#N)cn2)C1 ZINC001057047088 771992518 /nfs/dbraw/zinc/99/25/18/771992518.db2.gz OKBAHFRUYDNASU-DOMZBBRYSA-N 1 2 339.403 0.987 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](N(C)c2cnc(C#N)cn2)C1 ZINC001057047088 771992524 /nfs/dbraw/zinc/99/25/24/771992524.db2.gz OKBAHFRUYDNASU-DOMZBBRYSA-N 1 2 339.403 0.987 20 30 ECEDLO C#CCCCCC(=O)N(CCO)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001057390871 772559696 /nfs/dbraw/zinc/55/96/96/772559696.db2.gz SYRAKRHAGIOCMU-INIZCTEOSA-N 1 2 348.447 0.965 20 30 ECEDLO O=C(C#CC1CC1)N(CCO)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001057538020 772733304 /nfs/dbraw/zinc/73/33/04/772733304.db2.gz UANYMKWPBSQBIU-UHFFFAOYSA-N 1 2 340.383 0.298 20 30 ECEDLO C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001057712061 772937270 /nfs/dbraw/zinc/93/72/70/772937270.db2.gz XOAUCMYPGBZKEX-AWEZNQCLSA-N 1 2 336.436 0.882 20 30 ECEDLO C=C(C)CCC(=O)NCCN(CCO)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001057712061 772937272 /nfs/dbraw/zinc/93/72/72/772937272.db2.gz XOAUCMYPGBZKEX-AWEZNQCLSA-N 1 2 336.436 0.882 20 30 ECEDLO CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001057712098 772937737 /nfs/dbraw/zinc/93/77/37/772937737.db2.gz ZNBVJUDSYRTKTK-AWEZNQCLSA-N 1 2 334.420 0.185 20 30 ECEDLO CC(C)C#CC(=O)NCCN(CCO)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001057712098 772937739 /nfs/dbraw/zinc/93/77/39/772937739.db2.gz ZNBVJUDSYRTKTK-AWEZNQCLSA-N 1 2 334.420 0.185 20 30 ECEDLO C=C1CCC(C(=O)NCCN(CCO)C(=O)Cn2cc[nH+]c2)CC1 ZINC001057996244 773351335 /nfs/dbraw/zinc/35/13/35/773351335.db2.gz CMWQULINASZGPC-UHFFFAOYSA-N 1 2 334.420 0.567 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1 ZINC001057996323 773351600 /nfs/dbraw/zinc/35/16/00/773351600.db2.gz GAHRSDYKYIRLCG-UHFFFAOYSA-N 1 2 342.827 0.599 20 30 ECEDLO C=CCC1(C(=O)NCCN(CCO)C(=O)Cn2cc[nH+]c2)CCCC1 ZINC001057998676 773354490 /nfs/dbraw/zinc/35/44/90/773354490.db2.gz FLWBZEZJFNPIHD-UHFFFAOYSA-N 1 2 348.447 0.957 20 30 ECEDLO C[C@@H](C#N)C(=O)NCCN(CCO)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001058035010 773396824 /nfs/dbraw/zinc/39/68/24/773396824.db2.gz ORKAHGFZRSRYSX-NSHDSACASA-N 1 2 329.360 0.273 20 30 ECEDLO CC#CCCCC(=O)NC[C@]1(O)CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001040609083 783097139 /nfs/dbraw/zinc/09/71/39/783097139.db2.gz LXUNSVHIZDDSGD-GOSISDBHSA-N 1 2 346.431 0.616 20 30 ECEDLO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001058303583 773937368 /nfs/dbraw/zinc/93/73/68/773937368.db2.gz CHDCQIUJHJQIBR-AWEZNQCLSA-N 1 2 348.447 0.595 20 30 ECEDLO C=CCOCC(=O)NCCN(CCO)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001058344921 774008915 /nfs/dbraw/zinc/00/89/15/774008915.db2.gz WZVLFFHKMONJKZ-UHFFFAOYSA-N 1 2 349.431 0.760 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)N(CCO)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001058435085 774173759 /nfs/dbraw/zinc/17/37/59/774173759.db2.gz DKMOZRYNPXBRTQ-UONOGXRCSA-N 1 2 336.436 0.738 20 30 ECEDLO CC#CCCCC(=O)N(CCO)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001058442703 774189567 /nfs/dbraw/zinc/18/95/67/774189567.db2.gz NSBRKLHFXDLMGI-HNNXBMFYSA-N 1 2 348.447 0.719 20 30 ECEDLO CC#CCCCC(=O)N(CCO)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001058442703 774189570 /nfs/dbraw/zinc/18/95/70/774189570.db2.gz NSBRKLHFXDLMGI-HNNXBMFYSA-N 1 2 348.447 0.719 20 30 ECEDLO C=C[C@@H](CC)CC(=O)N(CCO)CCNC(=O)CCn1cc[nH+]c1 ZINC001058468214 774243774 /nfs/dbraw/zinc/24/37/74/774243774.db2.gz DBAREEDNEZUEAY-HNNXBMFYSA-N 1 2 336.436 0.813 20 30 ECEDLO N#Cc1ccc(N2CC[C@H](NC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)nn1 ZINC001058474574 774256665 /nfs/dbraw/zinc/25/66/65/774256665.db2.gz LUCDNJLPXSEYKM-JSGCOSHPSA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1cnc(N2CC[C@@H](NC(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)cn1 ZINC001058481394 774272322 /nfs/dbraw/zinc/27/23/22/774272322.db2.gz QUHDHQMDZSETCQ-CHWSQXEVSA-N 1 2 337.387 0.502 20 30 ECEDLO N#Cc1cnc(N2CC[C@@H](NC(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)cn1 ZINC001058481732 774273642 /nfs/dbraw/zinc/27/36/42/774273642.db2.gz YRGQRBQQLHNGIB-CHWSQXEVSA-N 1 2 337.387 0.502 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 ZINC001039831400 783172662 /nfs/dbraw/zinc/17/26/62/783172662.db2.gz UJJBSRLXKWMPKC-UGSOOPFHSA-N 1 2 344.415 0.081 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@]1(O)CCN(C(=O)C#CC2CC2)C1 ZINC001039831400 783172667 /nfs/dbraw/zinc/17/26/67/783172667.db2.gz UJJBSRLXKWMPKC-UGSOOPFHSA-N 1 2 344.415 0.081 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CCN(c3cncc(C#N)n3)C2)c[nH+]1 ZINC001058584162 774477073 /nfs/dbraw/zinc/47/70/73/774477073.db2.gz DUMVAKFNMXXKSJ-CYBMUJFWSA-N 1 2 339.403 0.983 20 30 ECEDLO N#Cc1nccnc1N1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001044768207 774591206 /nfs/dbraw/zinc/59/12/06/774591206.db2.gz ZGGZIOUTINPSJZ-CABCVRRESA-N 1 2 349.354 0.204 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001044984482 774799127 /nfs/dbraw/zinc/79/91/27/774799127.db2.gz BRBZCPQZPFPFCG-QWHCGFSZSA-N 1 2 334.420 0.490 20 30 ECEDLO C=C[C@H](C)[C@@H](C)C(=O)NCC1(O)CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001044984482 774799130 /nfs/dbraw/zinc/79/91/30/774799130.db2.gz BRBZCPQZPFPFCG-QWHCGFSZSA-N 1 2 334.420 0.490 20 30 ECEDLO C=C[C@H](CC)CC(=O)NCC1(O)CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001045068466 774927680 /nfs/dbraw/zinc/92/76/80/774927680.db2.gz FVPWJJLWHKDYQB-CYBMUJFWSA-N 1 2 334.420 0.552 20 30 ECEDLO C#CCCCCC(=O)N1CC2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)CCO2 ZINC001068470831 790337704 /nfs/dbraw/zinc/33/77/04/790337704.db2.gz VLZKIDJQMGJGDK-UHFFFAOYSA-N 1 2 344.415 0.586 20 30 ECEDLO C=C(C)CCC(=O)N1CC2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)CCO2 ZINC001068470353 790337825 /nfs/dbraw/zinc/33/78/25/790337825.db2.gz QIZYXZGLDJIING-UHFFFAOYSA-N 1 2 332.404 0.748 20 30 ECEDLO CC(C)(C)C#CC(=O)N1CC2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)CCO2 ZINC001068471009 790339080 /nfs/dbraw/zinc/33/90/80/790339080.db2.gz YDYZRCZAEZJCJL-UHFFFAOYSA-N 1 2 344.415 0.442 20 30 ECEDLO C#CCCCC(=O)N1CC2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)CCO2 ZINC001068469780 790335846 /nfs/dbraw/zinc/33/58/46/790335846.db2.gz KRWANULEWXACQP-UHFFFAOYSA-N 1 2 330.388 0.196 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N1CC(O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001045282001 775311716 /nfs/dbraw/zinc/31/17/16/775311716.db2.gz SJQYXBFOLJHVNR-UHFFFAOYSA-N 1 2 340.811 0.420 20 30 ECEDLO C=CCC1(C(=O)N2CC(O)(CNC(=O)Cc3[nH]cc[nH+]3)C2)CCC1 ZINC001045281940 775312225 /nfs/dbraw/zinc/31/22/25/775312225.db2.gz RGEJFNQIFBSCCQ-UHFFFAOYSA-N 1 2 332.404 0.388 20 30 ECEDLO C=CCCCC(=O)NCC1(O)CN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001045458724 775641093 /nfs/dbraw/zinc/64/10/93/775641093.db2.gz KYOTUNYHNNGQQL-UHFFFAOYSA-N 1 2 342.399 0.994 20 30 ECEDLO C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001045459126 775643066 /nfs/dbraw/zinc/64/30/66/775643066.db2.gz UWLSRUPUQOPLJE-AWEZNQCLSA-N 1 2 346.431 0.491 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@@H]1O ZINC001044100659 775698708 /nfs/dbraw/zinc/69/87/08/775698708.db2.gz INAJHWIUVVCBPL-CABCVRRESA-N 1 2 340.387 0.202 20 30 ECEDLO C=C(Br)C[NH+]1CCC(C)(NC(=O)c2nnn(C)n2)CC1 ZINC001045522350 775727598 /nfs/dbraw/zinc/72/75/98/775727598.db2.gz IXVKZMUTVDSMFK-UHFFFAOYSA-N 1 2 343.229 0.703 20 30 ECEDLO C#Cc1ccc(C(=O)NC2(C)CC[NH+](Cc3cn(C)nn3)CC2)cn1 ZINC001045623418 775911820 /nfs/dbraw/zinc/91/18/20/775911820.db2.gz QGVFQNFYAZFJCH-UHFFFAOYSA-N 1 2 338.415 0.976 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)C2C[NH+](C[C@H]3CCc4ncnn43)C2)cn1 ZINC001044205102 775915601 /nfs/dbraw/zinc/91/56/01/775915601.db2.gz LLVAUPLCTJOLRG-OAHLLOKOSA-N 1 2 336.399 0.598 20 30 ECEDLO N#Cc1cnccc1N1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](O)C1 ZINC001044321490 776146417 /nfs/dbraw/zinc/14/64/17/776146417.db2.gz BVNHGEMIXBFYCY-CJNGLKHVSA-N 1 2 348.366 0.580 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ccn(C(C)C)n2)[C@@H](n2ccnn2)C1 ZINC001070043844 790433963 /nfs/dbraw/zinc/43/39/63/790433963.db2.gz MCFQVUGXZRXARS-CABCVRRESA-N 1 2 329.408 0.897 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccn(C(C)C)n2)[C@@H](n2ccnn2)C1 ZINC001070043844 790433969 /nfs/dbraw/zinc/43/39/69/790433969.db2.gz MCFQVUGXZRXARS-CABCVRRESA-N 1 2 329.408 0.897 20 30 ECEDLO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001044478228 776340443 /nfs/dbraw/zinc/34/04/43/776340443.db2.gz CIIMJXITFNFREN-LBPRGKRZSA-N 1 2 334.420 0.490 20 30 ECEDLO C=CC(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001044478228 776340453 /nfs/dbraw/zinc/34/04/53/776340453.db2.gz CIIMJXITFNFREN-LBPRGKRZSA-N 1 2 334.420 0.490 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cn2ncc3ccccc32)[C@@H](n2ccnn2)C1 ZINC001070055820 790466058 /nfs/dbraw/zinc/46/60/58/790466058.db2.gz ROVSDYIJLYPDQY-WBVHZDCISA-N 1 2 349.398 0.303 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cn2ncc3ccccc32)[C@@H](n2ccnn2)C1 ZINC001070055820 790466059 /nfs/dbraw/zinc/46/60/59/790466059.db2.gz ROVSDYIJLYPDQY-WBVHZDCISA-N 1 2 349.398 0.303 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)CCCn2cc[nH+]c2)C1 ZINC001080026782 777257015 /nfs/dbraw/zinc/25/70/15/777257015.db2.gz GQMSMUJIFRSOLO-HNNXBMFYSA-N 1 2 346.431 0.761 20 30 ECEDLO C#CCCCCC(=O)NC1(CNC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001070081951 790539778 /nfs/dbraw/zinc/53/97/78/790539778.db2.gz RJSPCMHSILEPBB-UHFFFAOYSA-N 1 2 346.431 0.927 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CC(N(CC)C(=O)CCn2cc[nH+]c2)C1 ZINC001080167967 777492944 /nfs/dbraw/zinc/49/29/44/777492944.db2.gz JWTUNIRVIGDSGD-AWEZNQCLSA-N 1 2 332.404 0.371 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2ccc3c[nH]nc3c2)[C@@H](n2ccnn2)C1 ZINC001070086691 790557195 /nfs/dbraw/zinc/55/71/95/790557195.db2.gz ICIYDOYWLTZILA-SJORKVTESA-N 1 2 349.398 0.372 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2ccc3c[nH]nc3c2)[C@@H](n2ccnn2)C1 ZINC001070086691 790557200 /nfs/dbraw/zinc/55/72/00/790557200.db2.gz ICIYDOYWLTZILA-SJORKVTESA-N 1 2 349.398 0.372 20 30 ECEDLO Cc1c[nH+]c2cc(C(=O)NCC3(O)CN(C(=O)[C@H](C)C#N)C3)ccn12 ZINC001043168664 777866962 /nfs/dbraw/zinc/86/69/62/777866962.db2.gz ATANENQVYWQYQQ-LLVKDONJSA-N 1 2 341.371 0.106 20 30 ECEDLO C#CCCCC(=O)NC[C@@H]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)O1 ZINC001068562193 790571997 /nfs/dbraw/zinc/57/19/97/790571997.db2.gz AOQNLGNTVYNWIM-AWEZNQCLSA-N 1 2 344.415 0.632 20 30 ECEDLO C#CCCCC(=O)NC1(CNC(=O)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001070093300 790578263 /nfs/dbraw/zinc/57/82/63/790578263.db2.gz NEJISMDKFAPRTQ-UHFFFAOYSA-N 1 2 332.404 0.537 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)NCC1(O)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001043204352 777953097 /nfs/dbraw/zinc/95/30/97/777953097.db2.gz UOKOUOVRWHXPKW-UHFFFAOYSA-N 1 2 340.811 0.351 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)n(C)c2C)[C@@H](n2ccnn2)C1 ZINC001070093839 790581143 /nfs/dbraw/zinc/58/11/43/790581143.db2.gz JKQBEMKHPGBEAL-SJORKVTESA-N 1 2 340.431 0.912 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)n(C)c2C)[C@@H](n2ccnn2)C1 ZINC001070093839 790581149 /nfs/dbraw/zinc/58/11/49/790581149.db2.gz JKQBEMKHPGBEAL-SJORKVTESA-N 1 2 340.431 0.912 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccnc2N(C)C)[C@@H](n2ccnn2)C1 ZINC001070094986 790584305 /nfs/dbraw/zinc/58/43/05/790584305.db2.gz OTPWWAANFVVRKR-CABCVRRESA-N 1 2 339.403 0.028 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccnc2N(C)C)[C@@H](n2ccnn2)C1 ZINC001070094986 790584312 /nfs/dbraw/zinc/58/43/12/790584312.db2.gz OTPWWAANFVVRKR-CABCVRRESA-N 1 2 339.403 0.028 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2c[nH]c3ncccc23)[C@@H](n2ccnn2)C1 ZINC001070105043 790620694 /nfs/dbraw/zinc/62/06/94/790620694.db2.gz GLBDRWQJKIZKNP-CVEARBPZSA-N 1 2 349.398 0.372 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH]c3ncccc23)[C@@H](n2ccnn2)C1 ZINC001070105043 790620700 /nfs/dbraw/zinc/62/07/00/790620700.db2.gz GLBDRWQJKIZKNP-CVEARBPZSA-N 1 2 349.398 0.372 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001043622276 778611671 /nfs/dbraw/zinc/61/16/71/778611671.db2.gz JIMNLMZXCCFPJU-ZDUSSCGKSA-N 1 2 346.431 0.347 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H](C)CCCC)C1 ZINC001043646326 778659332 /nfs/dbraw/zinc/65/93/32/778659332.db2.gz CFAIAWDTZNYLFD-CVEARBPZSA-N 1 2 349.475 0.600 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H](C)CCCC)C1 ZINC001043646326 778659334 /nfs/dbraw/zinc/65/93/34/778659334.db2.gz CFAIAWDTZNYLFD-CVEARBPZSA-N 1 2 349.475 0.600 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C[C@H](C=C)CC)C1 ZINC001043651907 778670224 /nfs/dbraw/zinc/67/02/24/778670224.db2.gz PIPHMPXHXIWGAO-CVEARBPZSA-N 1 2 347.459 0.376 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C[C@H](C=C)CC)C1 ZINC001043651907 778670226 /nfs/dbraw/zinc/67/02/26/778670226.db2.gz PIPHMPXHXIWGAO-CVEARBPZSA-N 1 2 347.459 0.376 20 30 ECEDLO C=C(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001043699343 778742117 /nfs/dbraw/zinc/74/21/17/778742117.db2.gz NOAKKWCEJDOCLJ-OAHLLOKOSA-N 1 2 348.447 0.955 20 30 ECEDLO N#Cc1cccnc1N1C[C@H]2OCCN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C1 ZINC001043744145 778802070 /nfs/dbraw/zinc/80/20/70/778802070.db2.gz XMNAYUVFPDIUFI-UONOGXRCSA-N 1 2 338.371 0.335 20 30 ECEDLO N#Cc1ccc(N2C[C@H]3OCCN(C(=O)Cc4c[nH+]c[nH]4)[C@H]3C2)cn1 ZINC001043804175 778891209 /nfs/dbraw/zinc/89/12/09/778891209.db2.gz GTYQXTLNCVFBGE-JKSUJKDBSA-N 1 2 338.371 0.335 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[C@H](CNC(=O)CCn1cc[nH+]c1)O2 ZINC001068596885 790669818 /nfs/dbraw/zinc/66/98/18/790669818.db2.gz JHYDPWJKWCHVQL-UONOGXRCSA-N 1 2 345.403 0.309 20 30 ECEDLO C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001042632200 780562572 /nfs/dbraw/zinc/56/25/72/780562572.db2.gz CSVNEHANYZJOOT-HKUMRIAESA-N 1 2 337.387 0.816 20 30 ECEDLO C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001042632200 780562578 /nfs/dbraw/zinc/56/25/78/780562578.db2.gz CSVNEHANYZJOOT-HKUMRIAESA-N 1 2 337.387 0.816 20 30 ECEDLO C#CCCCCC(=O)NCC1(O)CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001042664190 780608075 /nfs/dbraw/zinc/60/80/75/780608075.db2.gz QGWBUAPLHRZHGJ-UHFFFAOYSA-N 1 2 346.431 0.546 20 30 ECEDLO CC(C)(C)C#CC(=O)N1CC(O)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001042823607 780893229 /nfs/dbraw/zinc/89/32/29/780893229.db2.gz JLQQKDDANDYCAZ-UHFFFAOYSA-N 1 2 332.404 0.081 20 30 ECEDLO CO[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001042852158 780945697 /nfs/dbraw/zinc/94/56/97/780945697.db2.gz JNHOPJLWZDYGTC-ZIAGYGMSSA-N 1 2 326.360 0.170 20 30 ECEDLO C=CCOCC(=O)N(CC)C1CN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001079493903 781182740 /nfs/dbraw/zinc/18/27/40/781182740.db2.gz KWMJAQVYDPJHND-UHFFFAOYSA-N 1 2 347.415 0.895 20 30 ECEDLO CCn1nncc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001079589133 781291315 /nfs/dbraw/zinc/29/13/15/781291315.db2.gz UNIPUEIGZITXGO-IAQYHMDHSA-N 1 2 327.392 0.748 20 30 ECEDLO CCn1nncc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001079589133 781291320 /nfs/dbraw/zinc/29/13/20/781291320.db2.gz UNIPUEIGZITXGO-IAQYHMDHSA-N 1 2 327.392 0.748 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@H]2O)CC1 ZINC001077621604 781368050 /nfs/dbraw/zinc/36/80/50/781368050.db2.gz QVOXLHLXMMFLSV-HZPDHXFCSA-N 1 2 335.448 0.515 20 30 ECEDLO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]2O)CC1 ZINC001077621604 781368060 /nfs/dbraw/zinc/36/80/60/781368060.db2.gz QVOXLHLXMMFLSV-HZPDHXFCSA-N 1 2 335.448 0.515 20 30 ECEDLO CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@@]2(CCN(CC#N)C2)C1 ZINC001041507282 781657078 /nfs/dbraw/zinc/65/70/78/781657078.db2.gz WAQYCGACHQSLDL-FUHWJXTLSA-N 1 2 334.464 0.935 20 30 ECEDLO CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@@]2(CCN(CC#N)C2)C1 ZINC001041507282 781657084 /nfs/dbraw/zinc/65/70/84/781657084.db2.gz WAQYCGACHQSLDL-FUHWJXTLSA-N 1 2 334.464 0.935 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nnc3ccccc3c2O)C1 ZINC001077766401 781666472 /nfs/dbraw/zinc/66/64/72/781666472.db2.gz DWGQYZHECMBGCK-ZIAGYGMSSA-N 1 2 328.372 0.686 20 30 ECEDLO C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nnc3ccccc3c2O)C1 ZINC001077766401 781666477 /nfs/dbraw/zinc/66/64/77/781666477.db2.gz DWGQYZHECMBGCK-ZIAGYGMSSA-N 1 2 328.372 0.686 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N3CCCC3)nc2)C1 ZINC001077848776 781812455 /nfs/dbraw/zinc/81/24/55/781812455.db2.gz OYJGFTWKNVCJSM-HZPDHXFCSA-N 1 2 328.416 0.480 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N3CCCC3)nc2)C1 ZINC001077848776 781812463 /nfs/dbraw/zinc/81/24/63/781812463.db2.gz OYJGFTWKNVCJSM-HZPDHXFCSA-N 1 2 328.416 0.480 20 30 ECEDLO N#Cc1nccc(N[C@H]2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C23CCC3)n1 ZINC001041621142 781870928 /nfs/dbraw/zinc/87/09/28/781870928.db2.gz QFHFJDOJLLLWTG-QWHCGFSZSA-N 1 2 337.387 0.575 20 30 ECEDLO C[C@]1(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)CCOC1 ZINC001077902064 781905163 /nfs/dbraw/zinc/90/51/63/781905163.db2.gz PXTQMLDXNKTIMZ-FMKPAKJESA-N 1 2 335.429 0.708 20 30 ECEDLO C[C@]1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)CCOC1 ZINC001077902064 781905169 /nfs/dbraw/zinc/90/51/69/781905169.db2.gz PXTQMLDXNKTIMZ-FMKPAKJESA-N 1 2 335.429 0.708 20 30 ECEDLO Cc1cc(C)c(C(=O)N2CC[C@](O)(CNC(=O)[C@@H](C)C#N)C2)c(C)[nH+]1 ZINC001040760725 783379299 /nfs/dbraw/zinc/37/92/99/783379299.db2.gz PUKUNHZBCYVVNP-SGTLLEGYSA-N 1 2 344.415 0.860 20 30 ECEDLO C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCOCC1 ZINC001070233696 783711757 /nfs/dbraw/zinc/71/17/57/783711757.db2.gz CHLSVRDEQPMMJL-JHJVBQTASA-N 1 2 345.403 0.454 20 30 ECEDLO C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCOCC1 ZINC001070233696 783711766 /nfs/dbraw/zinc/71/17/66/783711766.db2.gz CHLSVRDEQPMMJL-JHJVBQTASA-N 1 2 345.403 0.454 20 30 ECEDLO C=CC(C)(C)C(=O)N1C[C@@H]([NH2+]Cc2ncnn2C)[C@@H](n2ccnn2)C1 ZINC001070252137 783745530 /nfs/dbraw/zinc/74/55/30/783745530.db2.gz QSINWMUNVYBFQI-OLZOCXBDSA-N 1 2 344.423 0.161 20 30 ECEDLO CN1CCOC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001038177865 783956192 /nfs/dbraw/zinc/95/61/92/783956192.db2.gz PMMWJMVVEOFGDF-DOMZBBRYSA-N 1 2 334.445 0.641 20 30 ECEDLO CN1CCOC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)s1 ZINC001038177865 783956197 /nfs/dbraw/zinc/95/61/97/783956197.db2.gz PMMWJMVVEOFGDF-DOMZBBRYSA-N 1 2 334.445 0.641 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cc(C)no2)C1 ZINC001070903157 784082703 /nfs/dbraw/zinc/08/27/03/784082703.db2.gz DYEKYYNCENMGGE-NFAWXSAZSA-N 1 2 346.387 0.889 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)c2cc(C)no2)C1 ZINC001070903157 784082711 /nfs/dbraw/zinc/08/27/11/784082711.db2.gz DYEKYYNCENMGGE-NFAWXSAZSA-N 1 2 346.387 0.889 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1ccn(C)c1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442618 784085502 /nfs/dbraw/zinc/08/55/02/784085502.db2.gz KVAPURSERMROFU-OAHLLOKOSA-N 1 2 338.415 0.626 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cc(C)n[nH]2)C1 ZINC001070907232 784093353 /nfs/dbraw/zinc/09/33/53/784093353.db2.gz NEKQRLUMEJPEMQ-CFVMTHIKSA-N 1 2 345.403 0.624 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cc(C)n[nH]2)C1 ZINC001070907232 784093362 /nfs/dbraw/zinc/09/33/62/784093362.db2.gz NEKQRLUMEJPEMQ-CFVMTHIKSA-N 1 2 345.403 0.624 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cc(C)[nH]n2)C1 ZINC001070907232 784093372 /nfs/dbraw/zinc/09/33/72/784093372.db2.gz NEKQRLUMEJPEMQ-CFVMTHIKSA-N 1 2 345.403 0.624 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2cc(C)[nH]n2)C1 ZINC001070907232 784093379 /nfs/dbraw/zinc/09/33/79/784093379.db2.gz NEKQRLUMEJPEMQ-CFVMTHIKSA-N 1 2 345.403 0.624 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1cc(C#N)c[nH]1)C[C@H]2c1nnc(C)[nH]1 ZINC001070444360 784093918 /nfs/dbraw/zinc/09/39/18/784093918.db2.gz OIQZZUZNSDZIJR-AWEZNQCLSA-N 1 2 349.398 0.488 20 30 ECEDLO CC#CC[NH+]1CC2(C1)CN(C(=O)CC(C)(C)O)C[C@@H]2c1nnc(C)[nH]1 ZINC001070445614 784097687 /nfs/dbraw/zinc/09/76/87/784097687.db2.gz GQYGTFBYHGKSSA-CQSZACIVSA-N 1 2 345.447 0.525 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)Cc1cnoc1)C[C@H]2c1nnc(C)[nH]1 ZINC001070447266 784101508 /nfs/dbraw/zinc/10/15/08/784101508.db2.gz GZFKOOBRFGARGD-AWEZNQCLSA-N 1 2 340.387 0.205 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)c1c[nH]nc1C)C[C@H]2c1nnc(C)[nH]1 ZINC001070447110 784101710 /nfs/dbraw/zinc/10/17/10/784101710.db2.gz CDGZLBFVUKQXTF-AWEZNQCLSA-N 1 2 339.403 0.319 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001070920664 784115955 /nfs/dbraw/zinc/11/59/55/784115955.db2.gz YZBKNIWAPOESSG-LSDHHAIUSA-N 1 2 346.431 0.755 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2nocc2C)C1 ZINC001070922485 784121216 /nfs/dbraw/zinc/12/12/16/784121216.db2.gz LJSDDPZUJLJVNI-MJBXVCDLSA-N 1 2 346.387 0.889 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2nocc2C)C1 ZINC001070922485 784121219 /nfs/dbraw/zinc/12/12/19/784121219.db2.gz LJSDDPZUJLJVNI-MJBXVCDLSA-N 1 2 346.387 0.889 20 30 ECEDLO Cc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2cn(C)cn2)n1 ZINC001070476467 784159207 /nfs/dbraw/zinc/15/92/07/784159207.db2.gz NYBBDCIBMICBNU-SCDSUCTJSA-N 1 2 343.391 0.355 20 30 ECEDLO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC001070969176 784263235 /nfs/dbraw/zinc/26/32/35/784263235.db2.gz DQDHOPDIIVTGDO-UHFFFAOYSA-N 1 2 333.436 0.569 20 30 ECEDLO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC001070969176 784263238 /nfs/dbraw/zinc/26/32/38/784263238.db2.gz DQDHOPDIIVTGDO-UHFFFAOYSA-N 1 2 333.436 0.569 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cc(C3CC3)on2)CC1 ZINC001070983003 784317075 /nfs/dbraw/zinc/31/70/75/784317075.db2.gz XZCIVECOUULILT-UHFFFAOYSA-N 1 2 344.415 0.839 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cc(C3CC3)on2)CC1 ZINC001070983003 784317082 /nfs/dbraw/zinc/31/70/82/784317082.db2.gz XZCIVECOUULILT-UHFFFAOYSA-N 1 2 344.415 0.839 20 30 ECEDLO C=CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001070580075 784320376 /nfs/dbraw/zinc/32/03/76/784320376.db2.gz HHWXAURELAEZLS-QWHCGFSZSA-N 1 2 334.424 0.074 20 30 ECEDLO C=CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001070580075 784320385 /nfs/dbraw/zinc/32/03/85/784320385.db2.gz HHWXAURELAEZLS-QWHCGFSZSA-N 1 2 334.424 0.074 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@@H](C)n2ccc(C)n2)CC1 ZINC001070985924 784327859 /nfs/dbraw/zinc/32/78/59/784327859.db2.gz YHDNZSVUQHRPFX-MRXNPFEDSA-N 1 2 347.463 0.979 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C[C@@H](C)n2ccc(C)n2)CC1 ZINC001070985924 784327869 /nfs/dbraw/zinc/32/78/69/784327869.db2.gz YHDNZSVUQHRPFX-MRXNPFEDSA-N 1 2 347.463 0.979 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2csc(C)n2)CC1 ZINC001070990954 784340586 /nfs/dbraw/zinc/34/05/86/784340586.db2.gz CQYAZUMFGZUPDE-UHFFFAOYSA-N 1 2 334.445 0.739 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2csc(C)n2)CC1 ZINC001070990954 784340595 /nfs/dbraw/zinc/34/05/95/784340595.db2.gz CQYAZUMFGZUPDE-UHFFFAOYSA-N 1 2 334.445 0.739 20 30 ECEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)c2cnc(C)n2C)CC1 ZINC001070992589 784346397 /nfs/dbraw/zinc/34/63/97/784346397.db2.gz PILYKRNPHVHLQM-UHFFFAOYSA-N 1 2 333.436 0.569 20 30 ECEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)c2cnc(C)n2C)CC1 ZINC001070992589 784346409 /nfs/dbraw/zinc/34/64/09/784346409.db2.gz PILYKRNPHVHLQM-UHFFFAOYSA-N 1 2 333.436 0.569 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2cn(C)nc2C)CC1 ZINC001071006100 784388119 /nfs/dbraw/zinc/38/81/19/784388119.db2.gz ULURVOSKKDTSNU-UHFFFAOYSA-N 1 2 347.463 0.498 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCc2cn(C)nc2C)CC1 ZINC001071006100 784388130 /nfs/dbraw/zinc/38/81/30/784388130.db2.gz ULURVOSKKDTSNU-UHFFFAOYSA-N 1 2 347.463 0.498 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001071016071 784424883 /nfs/dbraw/zinc/42/48/83/784424883.db2.gz GTSMDSXKGUZHSN-ZIAGYGMSSA-N 1 2 346.431 0.833 20 30 ECEDLO Cc1nn(C)cc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070631905 784464841 /nfs/dbraw/zinc/46/48/41/784464841.db2.gz VNHRWUNIKQNUAX-ZIAGYGMSSA-N 1 2 327.392 0.183 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cc3cccn3cn2)C[C@H]1NCC#N ZINC001070658255 784511324 /nfs/dbraw/zinc/51/13/24/784511324.db2.gz AKXOUPBMKYWZQB-GDBMZVCRSA-N 1 2 349.398 0.789 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cc(Cl)n(C)n2)C[C@H]1NCC#N ZINC001070667093 784523613 /nfs/dbraw/zinc/52/36/13/784523613.db2.gz QIFXLKXOJUBRSZ-ZYHUDNBSSA-N 1 2 347.810 0.528 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001070673075 784530428 /nfs/dbraw/zinc/53/04/28/784530428.db2.gz XBMHREBGJYLACJ-KDOFPFPSSA-N 1 2 348.447 0.787 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001071088693 784532203 /nfs/dbraw/zinc/53/22/03/784532203.db2.gz LQJDGWAEGFNWBU-HUUCEWRRSA-N 1 2 346.431 0.498 20 30 ECEDLO Cc1cnn(C)c1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070679768 784541903 /nfs/dbraw/zinc/54/19/03/784541903.db2.gz NMXIMVSSELJMSG-CHWSQXEVSA-N 1 2 327.392 0.183 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1NCC#N ZINC001070693201 784562362 /nfs/dbraw/zinc/56/23/62/784562362.db2.gz WQYOLPCCSZNJPV-PAURTPPISA-N 1 2 329.404 0.395 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@H]1NCC#N ZINC001070694906 784563037 /nfs/dbraw/zinc/56/30/37/784563037.db2.gz HBABVWUYTKBEKY-CHWSQXEVSA-N 1 2 347.810 0.378 20 30 ECEDLO Cc1nccc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)n1 ZINC001070720178 784594773 /nfs/dbraw/zinc/59/47/73/784594773.db2.gz JVFHYZRZAKVYNC-TZMCWYRMSA-N 1 2 325.376 0.240 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2CC23CCOCC3)C[C@H]1NCC#N ZINC001070725070 784599599 /nfs/dbraw/zinc/59/95/99/784599599.db2.gz QXAMGUHPAOMLNP-RBSFLKMASA-N 1 2 343.431 0.644 20 30 ECEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccccn2)C1 ZINC001070900575 784808119 /nfs/dbraw/zinc/80/81/19/784808119.db2.gz QNMPJTFOMOKYDD-IMJJTQAJSA-N 1 2 342.399 0.987 20 30 ECEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccccn2)C1 ZINC001070900575 784808126 /nfs/dbraw/zinc/80/81/26/784808126.db2.gz QNMPJTFOMOKYDD-IMJJTQAJSA-N 1 2 342.399 0.987 20 30 ECEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)c3cc(F)c[nH]3)C2)C(=O)C1 ZINC001071267415 784893671 /nfs/dbraw/zinc/89/36/71/784893671.db2.gz ILZJOTRMFCAQQI-OAHLLOKOSA-N 1 2 346.406 0.926 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)c3cc(F)c[nH]3)C2)C(=O)C1 ZINC001071267415 784893680 /nfs/dbraw/zinc/89/36/80/784893680.db2.gz ILZJOTRMFCAQQI-OAHLLOKOSA-N 1 2 346.406 0.926 20 30 ECEDLO CC#CCN1CCN([C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C(=O)C1 ZINC001071273894 784911122 /nfs/dbraw/zinc/91/11/22/784911122.db2.gz KDVUPTXOJXUBKK-MRXNPFEDSA-N 1 2 343.431 0.111 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)c3ccn(C)n3)C2)C(=O)C1 ZINC001071277283 784923705 /nfs/dbraw/zinc/92/37/05/784923705.db2.gz OUKLAGGZYUYGBT-HNNXBMFYSA-N 1 2 343.431 0.192 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)c3ccn(C)n3)C2)C(=O)C1 ZINC001071277283 784923708 /nfs/dbraw/zinc/92/37/08/784923708.db2.gz OUKLAGGZYUYGBT-HNNXBMFYSA-N 1 2 343.431 0.192 20 30 ECEDLO C[C@H]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C[N@@H+]1Cc1cnnn1C ZINC001071438199 785087407 /nfs/dbraw/zinc/08/74/07/785087407.db2.gz NKWYOVSQFRTLEC-AAEUAGOBSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@H]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C[N@H+]1Cc1cnnn1C ZINC001071438199 785087415 /nfs/dbraw/zinc/08/74/15/785087415.db2.gz NKWYOVSQFRTLEC-AAEUAGOBSA-N 1 2 327.392 0.798 20 30 ECEDLO C=CCOCC(=O)N1C[C@@H](C)[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001071804719 785129781 /nfs/dbraw/zinc/12/97/81/785129781.db2.gz GLWBVHKJPNRTRA-CABCVRRESA-N 1 2 334.420 0.829 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3ccnn3C)C2)nn1 ZINC001071880053 785263233 /nfs/dbraw/zinc/26/32/33/785263233.db2.gz OIXVIBDGUYBXLL-UONOGXRCSA-N 1 2 343.435 0.981 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3ccnn3C)C2)nn1 ZINC001071880053 785263236 /nfs/dbraw/zinc/26/32/36/785263236.db2.gz OIXVIBDGUYBXLL-UONOGXRCSA-N 1 2 343.435 0.981 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC[C@H]1C ZINC001071660235 785468200 /nfs/dbraw/zinc/46/82/00/785468200.db2.gz SBFKXLAUDDQCRK-NEPJUHHUSA-N 1 2 340.811 0.671 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CC[C@H]1C ZINC001071660235 785468206 /nfs/dbraw/zinc/46/82/06/785468206.db2.gz SBFKXLAUDDQCRK-NEPJUHHUSA-N 1 2 340.811 0.671 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(=O)NC3CC3)C2)cn1 ZINC001072001561 785508165 /nfs/dbraw/zinc/50/81/65/785508165.db2.gz FAUXYTGNRCHMSJ-GUYCJALGSA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(=O)NC3CC3)C2)cn1 ZINC001072001561 785508172 /nfs/dbraw/zinc/50/81/72/785508172.db2.gz FAUXYTGNRCHMSJ-GUYCJALGSA-N 1 2 340.427 0.924 20 30 ECEDLO C[C@@H]1CC[C@H](NC(=O)c2nnn(C)n2)C[N@@H+]1Cc1ccc(C#N)s1 ZINC001071743568 785624261 /nfs/dbraw/zinc/62/42/61/785624261.db2.gz APTOTNSTKDUHDW-MNOVXSKESA-N 1 2 345.432 0.926 20 30 ECEDLO C[C@@H]1CC[C@H](NC(=O)c2nnn(C)n2)C[N@H+]1Cc1ccc(C#N)s1 ZINC001071743568 785624268 /nfs/dbraw/zinc/62/42/68/785624268.db2.gz APTOTNSTKDUHDW-MNOVXSKESA-N 1 2 345.432 0.926 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001072430874 786173799 /nfs/dbraw/zinc/17/37/99/786173799.db2.gz YZLHNDDVTXDXNT-STQMWFEESA-N 1 2 334.420 0.853 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001072509413 786300649 /nfs/dbraw/zinc/30/06/49/786300649.db2.gz APDYRPGCGQXEGE-ZIAGYGMSSA-N 1 2 334.420 0.518 20 30 ECEDLO Cn1c[nH+]cc1CN1CCO[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 ZINC001074239347 786484699 /nfs/dbraw/zinc/48/46/99/786484699.db2.gz YYEZCVCPUBEQKL-DLBZAZTESA-N 1 2 328.416 0.635 20 30 ECEDLO N#CCN1CCO[C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@H]21 ZINC001074245874 786502670 /nfs/dbraw/zinc/50/26/70/786502670.db2.gz VLYGNXRKFROSMS-JKSUJKDBSA-N 1 2 343.431 0.587 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cc4n(n3)CCC4)C[C@@H]21 ZINC001074258751 786532838 /nfs/dbraw/zinc/53/28/38/786532838.db2.gz ARAUYLRLZRXOEC-DLBZAZTESA-N 1 2 328.416 0.768 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cc4n(n3)CCC4)C[C@@H]21 ZINC001074258751 786532846 /nfs/dbraw/zinc/53/28/46/786532846.db2.gz ARAUYLRLZRXOEC-DLBZAZTESA-N 1 2 328.416 0.768 20 30 ECEDLO C=CCCOCC(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001074264468 786541429 /nfs/dbraw/zinc/54/14/29/786541429.db2.gz XIJKUINMTZRKTN-HIFRSBDPSA-N 1 2 334.420 0.898 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnc4n3CCOC4)C[C@H]21 ZINC001074268014 786549500 /nfs/dbraw/zinc/54/95/00/786549500.db2.gz BHJUVMHUJYZMJM-CVEARBPZSA-N 1 2 344.415 0.352 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnc4n3CCOC4)C[C@H]21 ZINC001074268014 786549508 /nfs/dbraw/zinc/54/95/08/786549508.db2.gz BHJUVMHUJYZMJM-CVEARBPZSA-N 1 2 344.415 0.352 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCc3nc(C)no3)C[C@H]21 ZINC001074309404 786646362 /nfs/dbraw/zinc/64/63/62/786646362.db2.gz DICLQWQISUENGO-HUUCEWRRSA-N 1 2 332.404 0.636 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCc3nc(C)no3)C[C@H]21 ZINC001074309404 786646366 /nfs/dbraw/zinc/64/63/66/786646366.db2.gz DICLQWQISUENGO-HUUCEWRRSA-N 1 2 332.404 0.636 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccn4nnnc4c3)C[C@H]21 ZINC001074315404 786657550 /nfs/dbraw/zinc/65/75/50/786657550.db2.gz VRCDUDZTEUSSTP-CABCVRRESA-N 1 2 340.387 0.063 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccn4nnnc4c3)C[C@H]21 ZINC001074315404 786657559 /nfs/dbraw/zinc/65/75/59/786657559.db2.gz VRCDUDZTEUSSTP-CABCVRRESA-N 1 2 340.387 0.063 20 30 ECEDLO C=C(C)CCC(=O)N1CC(N2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001073579806 786672718 /nfs/dbraw/zinc/67/27/18/786672718.db2.gz BUSHSJRTFACBTA-UHFFFAOYSA-N 1 2 345.447 0.594 20 30 ECEDLO C=CCCC(=O)N1CC(N2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC001073583270 786685621 /nfs/dbraw/zinc/68/56/21/786685621.db2.gz QWRWGHGUWISAJF-UHFFFAOYSA-N 1 2 345.447 0.594 20 30 ECEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cncc(OC)n3)C[C@H]21 ZINC001074350826 786732778 /nfs/dbraw/zinc/73/27/78/786732778.db2.gz DQBYSTQTCSVSET-CABCVRRESA-N 1 2 332.404 0.977 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cncc(OC)n3)C[C@H]21 ZINC001074350826 786732784 /nfs/dbraw/zinc/73/27/84/786732784.db2.gz DQBYSTQTCSVSET-CABCVRRESA-N 1 2 332.404 0.977 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 ZINC001074361279 786754768 /nfs/dbraw/zinc/75/47/68/786754768.db2.gz ZMXFUNRDEZTAGH-IRXDYDNUSA-N 1 2 337.464 0.587 20 30 ECEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 ZINC001074361279 786754773 /nfs/dbraw/zinc/75/47/73/786754773.db2.gz ZMXFUNRDEZTAGH-IRXDYDNUSA-N 1 2 337.464 0.587 20 30 ECEDLO C#CCCCC(=O)N1CC(N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001073607664 786762747 /nfs/dbraw/zinc/76/27/47/786762747.db2.gz XGZMHTLZTLWITQ-UHFFFAOYSA-N 1 2 343.431 0.111 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C3CCN(C(C)=O)CC3)C[C@H]21 ZINC001074402679 786865862 /nfs/dbraw/zinc/86/58/62/786865862.db2.gz KHFACRMUJYOHAU-MSOLQXFVSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3CCN(C(C)=O)CC3)C[C@H]21 ZINC001074402679 786865873 /nfs/dbraw/zinc/86/58/73/786865873.db2.gz KHFACRMUJYOHAU-MSOLQXFVSA-N 1 2 347.459 0.570 20 30 ECEDLO C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3cc(C)on3)C[C@@H]21 ZINC001074402639 786866483 /nfs/dbraw/zinc/86/64/83/786866483.db2.gz JSICKXCNTNALEG-KBPBESRZSA-N 1 2 348.403 0.799 20 30 ECEDLO C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3cc(C)on3)C[C@@H]21 ZINC001074402639 786866492 /nfs/dbraw/zinc/86/64/92/786866492.db2.gz JSICKXCNTNALEG-KBPBESRZSA-N 1 2 348.403 0.799 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C[C@@H]21 ZINC001074402947 786867728 /nfs/dbraw/zinc/86/77/28/786867728.db2.gz OESPXBKUYZYYJS-DLBZAZTESA-N 1 2 341.411 0.724 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C[C@@H]21 ZINC001074402947 786867740 /nfs/dbraw/zinc/86/77/40/786867740.db2.gz OESPXBKUYZYYJS-DLBZAZTESA-N 1 2 341.411 0.724 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cncnc3CC)C[C@H]21 ZINC001074408327 786889596 /nfs/dbraw/zinc/88/95/96/786889596.db2.gz UOGVXNPGWVIXGH-SJORKVTESA-N 1 2 328.416 0.978 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cncnc3CC)C[C@H]21 ZINC001074408327 786889607 /nfs/dbraw/zinc/88/96/07/786889607.db2.gz UOGVXNPGWVIXGH-SJORKVTESA-N 1 2 328.416 0.978 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001073714527 787036407 /nfs/dbraw/zinc/03/64/07/787036407.db2.gz SWNCPIWVXZPJNS-UONOGXRCSA-N 1 2 343.855 0.862 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001073714527 787036418 /nfs/dbraw/zinc/03/64/18/787036418.db2.gz SWNCPIWVXZPJNS-UONOGXRCSA-N 1 2 343.855 0.862 20 30 ECEDLO C=CCOCC(=O)N[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001073819517 787262161 /nfs/dbraw/zinc/26/21/61/787262161.db2.gz FOMWDTSPIPPBHP-HUUCEWRRSA-N 1 2 348.447 0.909 20 30 ECEDLO CC(C)C#CC(=O)N1CCC(O)(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001074579530 787310253 /nfs/dbraw/zinc/31/02/53/787310253.db2.gz LIJJFLNIHKZNIZ-UHFFFAOYSA-N 1 2 346.431 0.402 20 30 ECEDLO C[C@@H](C#N)C(=O)NCC1(O)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001074647177 787497667 /nfs/dbraw/zinc/49/76/67/787497667.db2.gz NJOYMWOPKNDZAY-LBPRGKRZSA-N 1 2 347.419 0.317 20 30 ECEDLO C=CC(C)(C)C(=O)NCC1(O)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001074650397 787508668 /nfs/dbraw/zinc/50/86/68/787508668.db2.gz ATOFGPZFCIPMIE-UHFFFAOYSA-N 1 2 348.447 0.955 20 30 ECEDLO CC(C)C#CC(=O)NCC1(O)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001074651148 787511531 /nfs/dbraw/zinc/51/15/31/787511531.db2.gz XHERUPCRNYYWTM-UHFFFAOYSA-N 1 2 346.431 0.402 20 30 ECEDLO C#CCCCCC(=O)NCC1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001074759760 787776497 /nfs/dbraw/zinc/77/64/97/787776497.db2.gz XELBKKXOINLKCU-UHFFFAOYSA-N 1 2 346.431 0.616 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)CC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001074085513 787844494 /nfs/dbraw/zinc/84/44/94/787844494.db2.gz VNBDQMRSZCXLCK-UONOGXRCSA-N 1 2 349.460 0.883 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)CC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001074085512 787844846 /nfs/dbraw/zinc/84/48/46/787844846.db2.gz VNBDQMRSZCXLCK-KGLIPLIRSA-N 1 2 349.460 0.883 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(C(=O)CSCC#N)C[C@H]1C ZINC001074090940 787859871 /nfs/dbraw/zinc/85/98/71/787859871.db2.gz RRVGRPUHFLLBSE-YPMHNXCESA-N 1 2 349.460 0.871 20 30 ECEDLO C=CCOCC(=O)N1CC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](C)C1 ZINC001074108017 787892784 /nfs/dbraw/zinc/89/27/84/787892784.db2.gz YNQLFQQZAUUMRG-HOCLYGCPSA-N 1 2 348.447 0.909 20 30 ECEDLO C=CCOCC(=O)N[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC001074892229 788499346 /nfs/dbraw/zinc/49/93/46/788499346.db2.gz PXOWPHSMESHBEF-JSGCOSHPSA-N 1 2 334.420 0.959 20 30 ECEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)c3cnnn3C)C2)C1 ZINC001072683923 788587280 /nfs/dbraw/zinc/58/72/80/788587280.db2.gz WSDZRUXGAASELM-UHFFFAOYSA-N 1 2 340.225 0.872 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)c3cnnn3C)C2)C1 ZINC001072683923 788587285 /nfs/dbraw/zinc/58/72/85/788587285.db2.gz WSDZRUXGAASELM-UHFFFAOYSA-N 1 2 340.225 0.872 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)CSCC#N ZINC001075211345 789069361 /nfs/dbraw/zinc/06/93/61/789069361.db2.gz SFSRKNWJXNTIMD-NWDGAFQWSA-N 1 2 335.433 0.705 20 30 ECEDLO C#CCOCCC(=O)N1CCC(C)(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001073027166 789299761 /nfs/dbraw/zinc/29/97/61/789299761.db2.gz DYSWOVRKMQJBAU-UHFFFAOYSA-N 1 2 346.431 0.880 20 30 ECEDLO C#CCOCCC(=O)N1CCC(C)(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001073027166 789299767 /nfs/dbraw/zinc/29/97/67/789299767.db2.gz DYSWOVRKMQJBAU-UHFFFAOYSA-N 1 2 346.431 0.880 20 30 ECEDLO N#CCN[C@H]1CCO[C@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001075394626 789320823 /nfs/dbraw/zinc/32/08/23/789320823.db2.gz DXIJGSHGJHNQLY-HOCLYGCPSA-N 1 2 331.420 0.852 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC([C@@H]2OCCC[C@@H]2NCC#N)CC1 ZINC001075416288 789345691 /nfs/dbraw/zinc/34/56/91/789345691.db2.gz WYESIPIVGIDHBL-WMZOPIPTSA-N 1 2 345.447 0.862 20 30 ECEDLO N#Cc1cccc(C[N@H+]2CCC3(CN(C(=O)Cc4ncn[nH]4)C3)C2)c1 ZINC001073111977 789460670 /nfs/dbraw/zinc/46/06/70/789460670.db2.gz GEHBCYZHZCRSLK-UHFFFAOYSA-N 1 2 336.399 0.953 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2CCC3(CN(C(=O)Cc4ncn[nH]4)C3)C2)c1 ZINC001073111977 789460675 /nfs/dbraw/zinc/46/06/75/789460675.db2.gz GEHBCYZHZCRSLK-UHFFFAOYSA-N 1 2 336.399 0.953 20 30 ECEDLO CC1(NC(=O)CSCC#N)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001073128660 789491355 /nfs/dbraw/zinc/49/13/55/789491355.db2.gz NOXMITIGIRWVPT-UHFFFAOYSA-N 1 2 335.433 0.637 20 30 ECEDLO N#Cc1nccnc1N1CC[C@]2(NC(=O)Cc3[nH]cc[nH+]3)CCC[C@@H]12 ZINC001069271543 789723269 /nfs/dbraw/zinc/72/32/69/789723269.db2.gz UDKWMEUWSKMPDY-CXAGYDPISA-N 1 2 337.387 0.932 20 30 ECEDLO N#Cc1cncc(N2CC[C@@]3(NC(=O)Cc4c[nH]c[nH+]4)CCC[C@H]23)n1 ZINC001069291859 789735814 /nfs/dbraw/zinc/73/58/14/789735814.db2.gz SIBXCUPBVYZZLU-YOEHRIQHSA-N 1 2 337.387 0.932 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@@H](CNc2ccnc(C#N)n2)C1 ZINC001069475287 789849607 /nfs/dbraw/zinc/84/96/07/789849607.db2.gz DOCBLRZUFPFVDI-CHWSQXEVSA-N 1 2 339.403 0.443 20 30 ECEDLO CN(C(=O)Cc1c[nH+]cn1C)C1CC(Nc2nccnc2C#N)C1 ZINC001069756057 790011904 /nfs/dbraw/zinc/01/19/04/790011904.db2.gz RNRCMWJKSDTIMG-UHFFFAOYSA-N 1 2 325.376 0.726 20 30 ECEDLO C=CCN1CCn2ncc(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)c2C1 ZINC001069865892 790122625 /nfs/dbraw/zinc/12/26/25/790122625.db2.gz REVJLZNOWOTGFK-CQSZACIVSA-N 1 2 340.431 0.960 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2ccc(F)cc2F)[C@@H](n2ccnn2)C1 ZINC001069932192 790205279 /nfs/dbraw/zinc/20/52/79/790205279.db2.gz UWELJLBARJRLDW-CVEARBPZSA-N 1 2 345.353 0.774 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2ccc(F)cc2F)[C@@H](n2ccnn2)C1 ZINC001069932192 790205282 /nfs/dbraw/zinc/20/52/82/790205282.db2.gz UWELJLBARJRLDW-CVEARBPZSA-N 1 2 345.353 0.774 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cn(C)nc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001069939914 790214860 /nfs/dbraw/zinc/21/48/60/790214860.db2.gz KDKFPHJTVJDUGY-CABCVRRESA-N 1 2 339.403 0.178 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001069939914 790214861 /nfs/dbraw/zinc/21/48/61/790214861.db2.gz KDKFPHJTVJDUGY-CABCVRRESA-N 1 2 339.403 0.178 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCn3nccc32)[C@@H](n2ccnn2)C1 ZINC001069964185 790249687 /nfs/dbraw/zinc/24/96/87/790249687.db2.gz ZGJSQPIAAAUNNE-LZWOXQAQSA-N 1 2 339.403 0.027 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCn3nccc32)[C@@H](n2ccnn2)C1 ZINC001069964185 790249693 /nfs/dbraw/zinc/24/96/93/790249693.db2.gz ZGJSQPIAAAUNNE-LZWOXQAQSA-N 1 2 339.403 0.027 20 30 ECEDLO C=CCC[N@H+]1C[C@@H](NC(=O)c2ccc(=O)n(C)c2)[C@@H](n2ccnn2)C1 ZINC001069967248 790254697 /nfs/dbraw/zinc/25/46/97/790254697.db2.gz VNCXYIJCBCZSMC-CABCVRRESA-N 1 2 342.403 0.208 20 30 ECEDLO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)n(C)c2)[C@@H](n2ccnn2)C1 ZINC001069967248 790254702 /nfs/dbraw/zinc/25/47/02/790254702.db2.gz VNCXYIJCBCZSMC-CABCVRRESA-N 1 2 342.403 0.208 20 30 ECEDLO CC(C)C#CC(=O)N[C@H]1COC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001068859892 791282945 /nfs/dbraw/zinc/28/29/45/791282945.db2.gz XWEMUWWBGHYPKE-OAHLLOKOSA-N 1 2 344.415 0.419 20 30 ECEDLO O=C(C#CC1CC1)N[C@H]1COC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001068862788 791292826 /nfs/dbraw/zinc/29/28/26/791292826.db2.gz IPJRPLOXTKIWOQ-OAHLLOKOSA-N 1 2 342.399 0.242 20 30 ECEDLO O=C(C#CC1CC1)N[C@H]1COC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001068862788 791292833 /nfs/dbraw/zinc/29/28/33/791292833.db2.gz IPJRPLOXTKIWOQ-OAHLLOKOSA-N 1 2 342.399 0.242 20 30 ECEDLO C=CCC(C)(C)C(=O)N1CC2(C1)C[C@H](NC(=O)Cn1cc[nH+]c1)CO2 ZINC001068914924 791409085 /nfs/dbraw/zinc/40/90/85/791409085.db2.gz GOJYCZKNRNWHNK-AWEZNQCLSA-N 1 2 346.431 0.972 20 30 ECEDLO CC#CCCCC(=O)N[C@@H]1COC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001068973316 791529110 /nfs/dbraw/zinc/52/91/10/791529110.db2.gz RRAUJHFWFBWLGG-HNNXBMFYSA-N 1 2 344.415 0.563 20 30 ECEDLO CC[C@H](F)C(=O)N1CC[C@H]([NH+]2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001066700338 792026393 /nfs/dbraw/zinc/02/63/93/792026393.db2.gz JIQKTXSKMMXBLU-GJZGRUSLSA-N 1 2 346.410 0.819 20 30 ECEDLO C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001067703700 792158087 /nfs/dbraw/zinc/15/80/87/792158087.db2.gz AREBBCXZIXJWLM-ZIAGYGMSSA-N 1 2 331.420 0.912 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1)c1cnc(C#N)cn1 ZINC001067748694 792220244 /nfs/dbraw/zinc/22/02/44/792220244.db2.gz COGWSRZUJJNTTF-CABCVRRESA-N 1 2 344.419 0.106 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1)c1cnc(C#N)cn1 ZINC001067748694 792220250 /nfs/dbraw/zinc/22/02/50/792220250.db2.gz COGWSRZUJJNTTF-CABCVRRESA-N 1 2 344.419 0.106 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(c2nccnc2C#N)CC[C@H]1C ZINC001067963893 792514108 /nfs/dbraw/zinc/51/41/08/792514108.db2.gz WAMOQEUYWVOSSN-IAQYHMDHSA-N 1 2 339.403 0.954 20 30 ECEDLO C[C@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067966480 792519901 /nfs/dbraw/zinc/51/99/01/792519901.db2.gz XNWFJCKFZMWLGR-JSGCOSHPSA-N 1 2 325.376 0.576 20 30 ECEDLO C[C@H]1CCN(c2nccnc2C#N)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067967101 792521017 /nfs/dbraw/zinc/52/10/17/792521017.db2.gz JSMQYAWYGYLNJP-WCQYABFASA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@H]1CCN(c2cncc(C#N)n2)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067967121 792521136 /nfs/dbraw/zinc/52/11/36/792521136.db2.gz KBWIEJBPLUOVDD-WCQYABFASA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@H]1CCN(c2nccnc2C#N)C[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001067993001 792554080 /nfs/dbraw/zinc/55/40/80/792554080.db2.gz GETBCXSVCUBRBG-FZMZJTMJSA-N 1 2 325.376 0.645 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1Nc1cnc(C#N)cn1 ZINC001067083917 792681902 /nfs/dbraw/zinc/68/19/02/792681902.db2.gz IFBNJKVOXAUTJU-AAEUAGOBSA-N 1 2 325.376 0.963 20 30 ECEDLO C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1Nc1ccc(C#N)nn1 ZINC001067173883 792776365 /nfs/dbraw/zinc/77/63/65/792776365.db2.gz BMCQWRDDHMUHDC-OCCSQVGLSA-N 1 2 325.376 0.894 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001068189773 792811431 /nfs/dbraw/zinc/81/14/31/792811431.db2.gz UDTWZXDWLDIXIR-CABCVRRESA-N 1 2 334.420 0.850 20 30 ECEDLO C[C@@H](Nc1ncccc1C#N)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001068235752 792891455 /nfs/dbraw/zinc/89/14/55/792891455.db2.gz ACNWKZPDZMYCHN-TZMCWYRMSA-N 1 2 340.387 0.947 20 30 ECEDLO C[C@H](Nc1cnc(C#N)cn1)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001068237563 792902245 /nfs/dbraw/zinc/90/22/45/792902245.db2.gz YTOBRRQJTKBVEB-WCQYABFASA-N 1 2 341.375 0.342 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001067299713 792958151 /nfs/dbraw/zinc/95/81/51/792958151.db2.gz HLYUROXXNUHZJF-CQSZACIVSA-N 1 2 334.420 0.688 20 30 ECEDLO C[C@H]1C[C@@H](CNc2ccnc(C#N)n2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001068349233 793098857 /nfs/dbraw/zinc/09/88/57/793098857.db2.gz ZFYZQGHHWFYPLM-RYUDHWBXSA-N 1 2 325.376 0.385 20 30 ECEDLO C[C@@H]1CN(c2cnc(C#N)cn2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001067404066 793106417 /nfs/dbraw/zinc/10/64/17/793106417.db2.gz VLUASPRHQRSWDP-OCCSQVGLSA-N 1 2 325.376 0.576 20 30 ECEDLO C[C@H]1CN(c2ccc(C#N)nn2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067408863 793114531 /nfs/dbraw/zinc/11/45/31/793114531.db2.gz WEZLOVVQEQQAPR-WCQYABFASA-N 1 2 325.376 0.645 20 30 ECEDLO C#CCOCCC(=O)N(C)CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001067427915 793142144 /nfs/dbraw/zinc/14/21/44/793142144.db2.gz UBYOKBQEFZOQBK-UHFFFAOYSA-N 1 2 334.420 0.689 20 30 ECEDLO C#CCOCCC(=O)N(C)CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001067427915 793142147 /nfs/dbraw/zinc/14/21/47/793142147.db2.gz UBYOKBQEFZOQBK-UHFFFAOYSA-N 1 2 334.420 0.689 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001067431944 793149386 /nfs/dbraw/zinc/14/93/86/793149386.db2.gz ZIVCYAXVBAUZRW-HUUCEWRRSA-N 1 2 348.447 0.934 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001067431944 793149395 /nfs/dbraw/zinc/14/93/95/793149395.db2.gz ZIVCYAXVBAUZRW-HUUCEWRRSA-N 1 2 348.447 0.934 20 30 ECEDLO C[C@@H]1C[C@H](CNc2cnc(C#N)cn2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001068376592 793152206 /nfs/dbraw/zinc/15/22/06/793152206.db2.gz WZBBXHUKBWTLLF-VXGBXAGGSA-N 1 2 325.376 0.963 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cncnc2)C1 ZINC001267541112 837726591 /nfs/dbraw/zinc/72/65/91/837726591.db2.gz VUORCUHVPUUZMI-HNNXBMFYSA-N 1 2 331.420 0.705 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cncnc2)C1 ZINC001267541112 837726595 /nfs/dbraw/zinc/72/65/95/837726595.db2.gz VUORCUHVPUUZMI-HNNXBMFYSA-N 1 2 331.420 0.705 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)c2[nH]cnc2CC)C1 ZINC001267548694 837746648 /nfs/dbraw/zinc/74/66/48/837746648.db2.gz KZAFNRQTIDTLHX-AWEZNQCLSA-N 1 2 345.447 0.648 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2[nH]cnc2CC)C1 ZINC001267548694 837746651 /nfs/dbraw/zinc/74/66/51/837746651.db2.gz KZAFNRQTIDTLHX-AWEZNQCLSA-N 1 2 345.447 0.648 20 30 ECEDLO CCn1ccc(CN2CC[NH+](CCN(C)C(=O)C#CC3CC3)CC2)n1 ZINC001267572090 837805434 /nfs/dbraw/zinc/80/54/34/837805434.db2.gz FHUCSRGSAGCVON-UHFFFAOYSA-N 1 2 343.475 0.892 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)CC[NH+]1CCN(Cc2conc2C)CC1 ZINC001267572403 837809856 /nfs/dbraw/zinc/80/98/56/837809856.db2.gz KJKMCYHMGLCHFH-INIZCTEOSA-N 1 2 348.447 0.597 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)CCN1CC[NH+](Cc2conc2C)CC1 ZINC001267572403 837809872 /nfs/dbraw/zinc/80/98/72/837809872.db2.gz KJKMCYHMGLCHFH-INIZCTEOSA-N 1 2 348.447 0.597 20 30 ECEDLO C#CC[NH+]1CCN(CCN(C)C(=O)C[C@H]2CCOC[C@H]2OC)CC1 ZINC001267572894 837811280 /nfs/dbraw/zinc/81/12/80/837811280.db2.gz ANLUBIAXARKHKD-IAGOWNOFSA-N 1 2 337.464 0.137 20 30 ECEDLO C#CCNC(=O)[C@H](C)N1CC[NH+](CCN(C)C(=O)[C@@H](C)CC)CC1 ZINC001267573313 837815674 /nfs/dbraw/zinc/81/56/74/837815674.db2.gz DKXACQVGCKBRLJ-HOTGVXAUSA-N 1 2 336.480 0.246 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(CCN(C)C(=O)[C@@H](C)CC)CC1 ZINC001267573313 837815683 /nfs/dbraw/zinc/81/56/83/837815683.db2.gz DKXACQVGCKBRLJ-HOTGVXAUSA-N 1 2 336.480 0.246 20 30 ECEDLO C#CCN1CC[NH+](CCN(C)C(=O)c2ccc3cccnn32)CC1 ZINC001267576491 837830324 /nfs/dbraw/zinc/83/03/24/837830324.db2.gz ZBYPMJWLZOELJW-UHFFFAOYSA-N 1 2 325.416 0.657 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C)Oc2ccccc2)C1 ZINC001266248308 835554096 /nfs/dbraw/zinc/55/40/96/835554096.db2.gz JKDQWQUVWZIBRA-CVEARBPZSA-N 1 2 343.427 0.784 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)Oc2ccccc2)C1 ZINC001266248308 835554100 /nfs/dbraw/zinc/55/41/00/835554100.db2.gz JKDQWQUVWZIBRA-CVEARBPZSA-N 1 2 343.427 0.784 20 30 ECEDLO CC#CCCCC(=O)NCCCN1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001266269926 835590121 /nfs/dbraw/zinc/59/01/21/835590121.db2.gz TVTHRROSPBFENH-QGZVFWFLSA-N 1 2 348.491 0.535 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[N@@H+](C)CC(=O)N1CCCC[C@H]1C ZINC001266271574 835592657 /nfs/dbraw/zinc/59/26/57/835592657.db2.gz JTSMVVMFNPKADJ-RHSMWYFYSA-N 1 2 325.453 0.763 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[N@H+](C)CC(=O)N1CCCC[C@H]1C ZINC001266271574 835592666 /nfs/dbraw/zinc/59/26/66/835592666.db2.gz JTSMVVMFNPKADJ-RHSMWYFYSA-N 1 2 325.453 0.763 20 30 ECEDLO C#CCOCCC(=O)NCC[NH+]1CCN([C@H](C)c2cnccn2)CC1 ZINC001266283928 835615947 /nfs/dbraw/zinc/61/59/47/835615947.db2.gz YRBIVRKDQCRUIV-MRXNPFEDSA-N 1 2 345.447 0.311 20 30 ECEDLO C#CCCCC(=O)NCCN1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001266283944 835616002 /nfs/dbraw/zinc/61/60/02/835616002.db2.gz ZBBLEIYGDCLRRB-HNNXBMFYSA-N 1 2 334.464 0.191 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1ccc(Cl)cc1F ZINC001266295452 835642719 /nfs/dbraw/zinc/64/27/19/835642719.db2.gz LCQVXDRVNMCYFW-UHFFFAOYSA-N 1 2 325.771 0.890 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccc(Cl)cc1F ZINC001266295452 835642722 /nfs/dbraw/zinc/64/27/22/835642722.db2.gz LCQVXDRVNMCYFW-UHFFFAOYSA-N 1 2 325.771 0.890 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C2CCCC2)C1 ZINC001266299389 835656048 /nfs/dbraw/zinc/65/60/48/835656048.db2.gz PTAKEZZGHFOXJW-GXTWGEPZSA-N 1 2 336.436 0.767 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C2CCCC2)C1 ZINC001266299389 835656051 /nfs/dbraw/zinc/65/60/51/835656051.db2.gz PTAKEZZGHFOXJW-GXTWGEPZSA-N 1 2 336.436 0.767 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001266322830 835697322 /nfs/dbraw/zinc/69/73/22/835697322.db2.gz OOHHADJCVLFUSS-KBPBESRZSA-N 1 2 333.436 0.960 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001266322830 835697327 /nfs/dbraw/zinc/69/73/27/835697327.db2.gz OOHHADJCVLFUSS-KBPBESRZSA-N 1 2 333.436 0.960 20 30 ECEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1c(F)cc(OC)cc1F ZINC001266328643 835710533 /nfs/dbraw/zinc/71/05/33/835710533.db2.gz LPDSGPIVTAWMCD-UHFFFAOYSA-N 1 2 339.342 0.384 20 30 ECEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1c(F)cc(OC)cc1F ZINC001266328643 835710535 /nfs/dbraw/zinc/71/05/35/835710535.db2.gz LPDSGPIVTAWMCD-UHFFFAOYSA-N 1 2 339.342 0.384 20 30 ECEDLO CC(=O)Nc1cccc(F)c1C(=O)NCC[N@@H+](C)CC(=O)NCC#N ZINC001266332237 835713425 /nfs/dbraw/zinc/71/34/25/835713425.db2.gz ICCZCFIWYWFNDS-UHFFFAOYSA-N 1 2 349.366 0.085 20 30 ECEDLO CC(=O)Nc1cccc(F)c1C(=O)NCC[N@H+](C)CC(=O)NCC#N ZINC001266332237 835713430 /nfs/dbraw/zinc/71/34/30/835713430.db2.gz ICCZCFIWYWFNDS-UHFFFAOYSA-N 1 2 349.366 0.085 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001266342627 835729784 /nfs/dbraw/zinc/72/97/84/835729784.db2.gz SLGZGGIEBHTMHE-SOUVJXGZSA-N 1 2 327.388 0.015 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001266342627 835729788 /nfs/dbraw/zinc/72/97/88/835729788.db2.gz SLGZGGIEBHTMHE-SOUVJXGZSA-N 1 2 327.388 0.015 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccnc(C)c2)C1 ZINC001266346689 835736902 /nfs/dbraw/zinc/73/69/02/835736902.db2.gz GJIPFRYNZQPTKK-AWEZNQCLSA-N 1 2 345.403 0.206 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccnc(C)c2)C1 ZINC001266346689 835736909 /nfs/dbraw/zinc/73/69/09/835736909.db2.gz GJIPFRYNZQPTKK-AWEZNQCLSA-N 1 2 345.403 0.206 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)COc2ccc(C)cc2C)C1 ZINC001266358981 835767781 /nfs/dbraw/zinc/76/77/81/835767781.db2.gz KVFJGZPCIKYHKN-INIZCTEOSA-N 1 2 343.427 0.622 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)COc2ccc(C)cc2C)C1 ZINC001266358981 835767789 /nfs/dbraw/zinc/76/77/89/835767789.db2.gz KVFJGZPCIKYHKN-INIZCTEOSA-N 1 2 343.427 0.622 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C(F)F ZINC001266444342 835848916 /nfs/dbraw/zinc/84/89/16/835848916.db2.gz YZFBPRXOSVTYJI-VHSXEESVSA-N 1 2 332.351 0.232 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C(F)F ZINC001266444342 835848925 /nfs/dbraw/zinc/84/89/25/835848925.db2.gz YZFBPRXOSVTYJI-VHSXEESVSA-N 1 2 332.351 0.232 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccco1 ZINC001266460867 835862853 /nfs/dbraw/zinc/86/28/53/835862853.db2.gz FMMXRSYLFQCMLM-KSSFIOAISA-N 1 2 349.431 0.804 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCc1ccco1 ZINC001266460867 835862860 /nfs/dbraw/zinc/86/28/60/835862860.db2.gz FMMXRSYLFQCMLM-KSSFIOAISA-N 1 2 349.431 0.804 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CCC[N@H+]1Cc1cc(=O)c(OC)co1 ZINC001266465406 835866746 /nfs/dbraw/zinc/86/67/46/835866746.db2.gz VPQQJXDPIQYTDV-ZIAGYGMSSA-N 1 2 348.399 0.767 20 30 ECEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(=O)c(OC)co1 ZINC001266465406 835866751 /nfs/dbraw/zinc/86/67/51/835866751.db2.gz VPQQJXDPIQYTDV-ZIAGYGMSSA-N 1 2 348.399 0.767 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(COC)on1 ZINC001266486706 835886874 /nfs/dbraw/zinc/88/68/74/835886874.db2.gz QTXMWYCXJAXAHF-GFCCVEGCSA-N 1 2 336.392 0.317 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(COC)on1 ZINC001266486706 835886878 /nfs/dbraw/zinc/88/68/78/835886878.db2.gz QTXMWYCXJAXAHF-GFCCVEGCSA-N 1 2 336.392 0.317 20 30 ECEDLO Cn1[nH]c(C[N@@H+]2CCC[C@H](CNC(=O)C#CC(C)(C)C)C2)nc1=O ZINC001266750006 836240374 /nfs/dbraw/zinc/24/03/74/836240374.db2.gz OYAMIJGOJPDVLF-CYBMUJFWSA-N 1 2 333.436 0.486 20 30 ECEDLO Cn1[nH]c(C[N@H+]2CCC[C@H](CNC(=O)C#CC(C)(C)C)C2)nc1=O ZINC001266750006 836240388 /nfs/dbraw/zinc/24/03/88/836240388.db2.gz OYAMIJGOJPDVLF-CYBMUJFWSA-N 1 2 333.436 0.486 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1CCC1 ZINC001266825493 836351689 /nfs/dbraw/zinc/35/16/89/836351689.db2.gz FZJOEHGPLFSCOA-CQSZACIVSA-N 1 2 336.436 0.769 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)C1CCC1 ZINC001266825493 836351697 /nfs/dbraw/zinc/35/16/97/836351697.db2.gz FZJOEHGPLFSCOA-CQSZACIVSA-N 1 2 336.436 0.769 20 30 ECEDLO C=CCC1(C(=O)NC[C@H](C)[NH2+]Cc2nc(=O)n(C)[nH]2)CCOCC1 ZINC001266990260 836571574 /nfs/dbraw/zinc/57/15/74/836571574.db2.gz NMFQEQJNQXJJJE-LBPRGKRZSA-N 1 2 337.424 0.076 20 30 ECEDLO CN(CCNC(=O)c1c[nH]c(C#N)c1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001408552998 836621027 /nfs/dbraw/zinc/62/10/27/836621027.db2.gz NVZWXOSUAVGOMG-CHWSQXEVSA-N 1 2 326.360 0.601 20 30 ECEDLO CN(CCNC(=O)c1c[nH]c(C#N)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001408552998 836621032 /nfs/dbraw/zinc/62/10/32/836621032.db2.gz NVZWXOSUAVGOMG-CHWSQXEVSA-N 1 2 326.360 0.601 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)CCNC(=O)[C@H]1C[C@H](C)CO1 ZINC001267207812 836991853 /nfs/dbraw/zinc/99/18/53/836991853.db2.gz PIYFZNOKTNPJGY-LSDHHAIUSA-N 1 2 325.453 0.884 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[C@H](C)CO1 ZINC001267207812 836991861 /nfs/dbraw/zinc/99/18/61/836991861.db2.gz PIYFZNOKTNPJGY-LSDHHAIUSA-N 1 2 325.453 0.884 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCC[N@@H+](CC)Cc1cc(=O)n2[nH]ccc2n1 ZINC001267240540 837048871 /nfs/dbraw/zinc/04/88/71/837048871.db2.gz PKCIGTGEAQZKKB-KRWDZBQOSA-N 1 2 347.419 0.288 20 30 ECEDLO C=C[C@](C)(O)CC(=O)NCC[N@H+](CC)Cc1cc(=O)n2[nH]ccc2n1 ZINC001267240540 837048881 /nfs/dbraw/zinc/04/88/81/837048881.db2.gz PKCIGTGEAQZKKB-KRWDZBQOSA-N 1 2 347.419 0.288 20 30 ECEDLO C=CCC1(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NCC#N)CCOCC1 ZINC001267281483 837130398 /nfs/dbraw/zinc/13/03/98/837130398.db2.gz LRPQVSAFGPFIFT-HNNXBMFYSA-N 1 2 348.447 0.580 20 30 ECEDLO C=CCC1(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NCC#N)CCOCC1 ZINC001267281483 837130404 /nfs/dbraw/zinc/13/04/04/837130404.db2.gz LRPQVSAFGPFIFT-HNNXBMFYSA-N 1 2 348.447 0.580 20 30 ECEDLO C=CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCNS(C)(=O)=O ZINC001267410480 837364924 /nfs/dbraw/zinc/36/49/24/837364924.db2.gz RERQISPBILVXSR-OKILXGFUSA-N 1 2 343.493 0.813 20 30 ECEDLO C=CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCNS(C)(=O)=O ZINC001267410480 837364933 /nfs/dbraw/zinc/36/49/33/837364933.db2.gz RERQISPBILVXSR-OKILXGFUSA-N 1 2 343.493 0.813 20 30 ECEDLO CC(C)C#CC(=O)N(C)CCN1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC001267607488 837950427 /nfs/dbraw/zinc/95/04/27/837950427.db2.gz KJHQBFSNLSRCLW-INIZCTEOSA-N 1 2 334.464 0.000 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)CC[NH+]1CCN(Cc2cnn(C)c2)CC1 ZINC001267607722 837951679 /nfs/dbraw/zinc/95/16/79/837951679.db2.gz SDBTYXHYWGEPEW-MRXNPFEDSA-N 1 2 347.463 0.034 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)CCN1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001267607722 837951683 /nfs/dbraw/zinc/95/16/83/837951683.db2.gz SDBTYXHYWGEPEW-MRXNPFEDSA-N 1 2 347.463 0.034 20 30 ECEDLO CN(CC[NH+]1CCN(CCNC(=O)C2CC2)CC1)C(=O)C#CC1CC1 ZINC001267607877 837952818 /nfs/dbraw/zinc/95/28/18/837952818.db2.gz YOALHVVTRUGXBR-UHFFFAOYSA-N 1 2 346.475 0.002 20 30 ECEDLO CN(CCN1CC[NH+](CCNC(=O)C2CC2)CC1)C(=O)C#CC1CC1 ZINC001267607877 837952827 /nfs/dbraw/zinc/95/28/27/837952827.db2.gz YOALHVVTRUGXBR-UHFFFAOYSA-N 1 2 346.475 0.002 20 30 ECEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@@H]1COc2ccccc2C1 ZINC001267609413 837969932 /nfs/dbraw/zinc/96/99/32/837969932.db2.gz ZRGGIRHVLLLICD-KRWDZBQOSA-N 1 2 342.443 0.837 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cc(OC)no2)C1 ZINC001267611905 837979243 /nfs/dbraw/zinc/97/92/43/837979243.db2.gz OFSIVSDCXLEYJF-NWDGAFQWSA-N 1 2 336.392 0.568 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cc(OC)no2)C1 ZINC001267611905 837979253 /nfs/dbraw/zinc/97/92/53/837979253.db2.gz OFSIVSDCXLEYJF-NWDGAFQWSA-N 1 2 336.392 0.568 20 30 ECEDLO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](NC(=O)C#CC(C)(C)C)C2)CCO1 ZINC001267614226 837988944 /nfs/dbraw/zinc/98/89/44/837988944.db2.gz DUEVXRDAJIYMCP-HZPDHXFCSA-N 1 2 349.475 0.864 20 30 ECEDLO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H](NC(=O)C#CC(C)(C)C)C2)CCO1 ZINC001267614226 837988949 /nfs/dbraw/zinc/98/89/49/837988949.db2.gz DUEVXRDAJIYMCP-HZPDHXFCSA-N 1 2 349.475 0.864 20 30 ECEDLO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)N2CCC(C)CC2)C1 ZINC001267617460 838040415 /nfs/dbraw/zinc/04/04/15/838040415.db2.gz HWCBDXBBWAUQFW-MRXNPFEDSA-N 1 2 335.448 0.475 20 30 ECEDLO COCC#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)N2CCC(C)CC2)C1 ZINC001267617460 838040421 /nfs/dbraw/zinc/04/04/21/838040421.db2.gz HWCBDXBBWAUQFW-MRXNPFEDSA-N 1 2 335.448 0.475 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cnc(C)n2C)C1 ZINC001267617777 838043474 /nfs/dbraw/zinc/04/34/74/838043474.db2.gz KADKAGYPQGENPS-GXTWGEPZSA-N 1 2 333.436 0.613 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cnc(C)n2C)C1 ZINC001267617777 838043484 /nfs/dbraw/zinc/04/34/84/838043484.db2.gz KADKAGYPQGENPS-GXTWGEPZSA-N 1 2 333.436 0.613 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC001267626141 838076877 /nfs/dbraw/zinc/07/68/77/838076877.db2.gz NSONYECPUQSNLJ-KBPBESRZSA-N 1 2 343.431 0.160 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC001267626141 838076891 /nfs/dbraw/zinc/07/68/91/838076891.db2.gz NSONYECPUQSNLJ-KBPBESRZSA-N 1 2 343.431 0.160 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2ncc(F)cc2F)C1 ZINC001267627722 838081139 /nfs/dbraw/zinc/08/11/39/838081139.db2.gz KEEAZXJGPWGRBR-LBPRGKRZSA-N 1 2 338.358 0.856 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2ncc(F)cc2F)C1 ZINC001267627722 838081148 /nfs/dbraw/zinc/08/11/48/838081148.db2.gz KEEAZXJGPWGRBR-LBPRGKRZSA-N 1 2 338.358 0.856 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001267629409 838086444 /nfs/dbraw/zinc/08/64/44/838086444.db2.gz UUNJSEFNZCNURC-ZOBORPQBSA-N 1 2 336.436 0.623 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001267629409 838086459 /nfs/dbraw/zinc/08/64/59/838086459.db2.gz UUNJSEFNZCNURC-ZOBORPQBSA-N 1 2 336.436 0.623 20 30 ECEDLO C=CCN(CC=C)C(=O)C[NH+]1CC(CNC(=O)c2cnccn2)C1 ZINC001267673254 838212754 /nfs/dbraw/zinc/21/27/54/838212754.db2.gz BNYUGNSWTZJMKU-UHFFFAOYSA-N 1 2 329.404 0.339 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2cnn3ccc(C)cc23)C1 ZINC001267685404 838251620 /nfs/dbraw/zinc/25/16/20/838251620.db2.gz GOMCXVHLUXDYLX-UHFFFAOYSA-N 1 2 341.415 0.607 20 30 ECEDLO C=CCNC(=O)NC(=O)C[NH+]1CC(CNC(=O)c2[nH]c(C)cc2C)C1 ZINC001267686025 838252590 /nfs/dbraw/zinc/25/25/90/838252590.db2.gz MZGIDVNIRBSAGB-UHFFFAOYSA-N 1 2 347.419 0.305 20 30 ECEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2ccnc(C3CC3)c2)C1 ZINC001267688273 838256386 /nfs/dbraw/zinc/25/63/86/838256386.db2.gz IBABBHOSKGBGAY-UHFFFAOYSA-N 1 2 328.416 0.923 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)c2cccc(COC)c2)C1 ZINC001267688505 838257879 /nfs/dbraw/zinc/25/78/79/838257879.db2.gz MOFIHUQDUQTQPV-UHFFFAOYSA-N 1 2 329.400 0.244 20 30 ECEDLO C#Cc1cncc(C(=O)NCC2C[NH+](CCCS(C)(=O)=O)C2)c1 ZINC001267693030 838272365 /nfs/dbraw/zinc/27/23/65/838272365.db2.gz RCDLOAACHHNSCW-UHFFFAOYSA-N 1 2 335.429 0.159 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)C(=O)NCC(C)C)C1 ZINC001267694028 838275946 /nfs/dbraw/zinc/27/59/46/838275946.db2.gz YJXWYCXUDHEVDL-IMJJTQAJSA-N 1 2 337.464 0.786 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](CCCS(=O)(=O)C(C)C)C1 ZINC001267724623 838388318 /nfs/dbraw/zinc/38/83/18/838388318.db2.gz YGAPTXIWOLIGBQ-CABCVRRESA-N 1 2 344.477 0.429 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@H+](CCCS(=O)(=O)C(C)C)C1 ZINC001267724623 838388322 /nfs/dbraw/zinc/38/83/22/838388322.db2.gz YGAPTXIWOLIGBQ-CABCVRRESA-N 1 2 344.477 0.429 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncoc2[C@@H]2CCCO2)C1 ZINC001267728049 838409479 /nfs/dbraw/zinc/40/94/79/838409479.db2.gz SCDNNVAIJJQYQB-STQMWFEESA-N 1 2 348.403 0.632 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncoc2[C@@H]2CCCO2)C1 ZINC001267728049 838409482 /nfs/dbraw/zinc/40/94/82/838409482.db2.gz SCDNNVAIJJQYQB-STQMWFEESA-N 1 2 348.403 0.632 20 30 ECEDLO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001267741166 838441916 /nfs/dbraw/zinc/44/19/16/838441916.db2.gz LSYASYLFNAUILF-TZMCWYRMSA-N 1 2 348.447 0.603 20 30 ECEDLO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001267741166 838441922 /nfs/dbraw/zinc/44/19/22/838441922.db2.gz LSYASYLFNAUILF-TZMCWYRMSA-N 1 2 348.447 0.603 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccc3ncn(C)c32)C1 ZINC001267745577 838451167 /nfs/dbraw/zinc/45/11/67/838451167.db2.gz WWCIDRFDSDNIDH-CYBMUJFWSA-N 1 2 339.399 0.127 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3ncn(C)c32)C1 ZINC001267745577 838451170 /nfs/dbraw/zinc/45/11/70/838451170.db2.gz WWCIDRFDSDNIDH-CYBMUJFWSA-N 1 2 339.399 0.127 20 30 ECEDLO CCc1nc(CC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)cs1 ZINC001267753724 838477076 /nfs/dbraw/zinc/47/70/76/838477076.db2.gz CWOKZWBTJJALGL-LLVKDONJSA-N 1 2 335.433 0.078 20 30 ECEDLO CCc1nc(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)cs1 ZINC001267753724 838477079 /nfs/dbraw/zinc/47/70/79/838477079.db2.gz CWOKZWBTJJALGL-LLVKDONJSA-N 1 2 335.433 0.078 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC001267754141 838478534 /nfs/dbraw/zinc/47/85/34/838478534.db2.gz BLVMOBCSBCRKGJ-QGZVFWFLSA-N 1 2 327.428 0.786 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC001267754141 838478538 /nfs/dbraw/zinc/47/85/38/838478538.db2.gz BLVMOBCSBCRKGJ-QGZVFWFLSA-N 1 2 327.428 0.786 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cnco2)C1 ZINC001267769534 838514716 /nfs/dbraw/zinc/51/47/16/838514716.db2.gz YDTDSNVUSAKKFH-NWDGAFQWSA-N 1 2 349.391 0.221 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cnco2)C1 ZINC001267769534 838514724 /nfs/dbraw/zinc/51/47/24/838514724.db2.gz YDTDSNVUSAKKFH-NWDGAFQWSA-N 1 2 349.391 0.221 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(OC)c2C)C1 ZINC001267774264 838537493 /nfs/dbraw/zinc/53/74/93/838537493.db2.gz VLRBNWVVUGOCPJ-OAHLLOKOSA-N 1 2 343.427 0.899 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(OC)c2C)C1 ZINC001267774264 838537498 /nfs/dbraw/zinc/53/74/98/838537498.db2.gz VLRBNWVVUGOCPJ-OAHLLOKOSA-N 1 2 343.427 0.899 20 30 ECEDLO C=CCC1(C(=O)N(C)[C@H]2CC[N@H+](CC(=O)NCC#N)C2)CCOCC1 ZINC001267777086 838541530 /nfs/dbraw/zinc/54/15/30/838541530.db2.gz PKZRTEIFUZIPEW-HNNXBMFYSA-N 1 2 348.447 0.532 20 30 ECEDLO C=CCC1(C(=O)N(C)[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)CCOCC1 ZINC001267777086 838541531 /nfs/dbraw/zinc/54/15/31/838541531.db2.gz PKZRTEIFUZIPEW-HNNXBMFYSA-N 1 2 348.447 0.532 20 30 ECEDLO CN(C)c1cccc(C(=O)N(C)[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)c1 ZINC001267777059 838541681 /nfs/dbraw/zinc/54/16/81/838541681.db2.gz PBRXQMFGPLMUPU-MRXNPFEDSA-N 1 2 343.431 0.539 20 30 ECEDLO CN(C)c1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)c1 ZINC001267777059 838541689 /nfs/dbraw/zinc/54/16/89/838541689.db2.gz PBRXQMFGPLMUPU-MRXNPFEDSA-N 1 2 343.431 0.539 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(F)cc(F)c2)C1 ZINC001267776491 838542007 /nfs/dbraw/zinc/54/20/07/838542007.db2.gz BMVQHPXAQARXOI-OAHLLOKOSA-N 1 2 335.354 0.861 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(F)cc(F)c2)C1 ZINC001267776491 838542009 /nfs/dbraw/zinc/54/20/09/838542009.db2.gz BMVQHPXAQARXOI-OAHLLOKOSA-N 1 2 335.354 0.861 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)OCCCC)C2)nn1 ZINC001105187967 838738302 /nfs/dbraw/zinc/73/83/02/838738302.db2.gz IRIVZJYFMJFGFK-CQSZACIVSA-N 1 2 333.436 0.980 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)c2cnn3c2CCC3)C1 ZINC001267937777 838819542 /nfs/dbraw/zinc/81/95/42/838819542.db2.gz WNDPHSQAEKYWMT-UONOGXRCSA-N 1 2 345.447 0.714 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cnn3c2CCC3)C1 ZINC001267937777 838819555 /nfs/dbraw/zinc/81/95/55/838819555.db2.gz WNDPHSQAEKYWMT-UONOGXRCSA-N 1 2 345.447 0.714 20 30 ECEDLO C#Cc1cncc(C(=O)N(CCO)CC[NH2+]Cc2nc(C)c(C)o2)c1 ZINC001279831068 838994327 /nfs/dbraw/zinc/99/43/27/838994327.db2.gz UICGPTLIQXDEKW-UHFFFAOYSA-N 1 2 342.399 0.892 20 30 ECEDLO C#Cc1cncc(C(=O)N(CCO)CC[NH2+]Cc2nc(CC)no2)c1 ZINC001279831483 839000290 /nfs/dbraw/zinc/00/02/90/839000290.db2.gz YOIBICPIZFJCKW-UHFFFAOYSA-N 1 2 343.387 0.233 20 30 ECEDLO N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(F)c1 ZINC000427060900 210178705 /nfs/dbraw/zinc/17/87/05/210178705.db2.gz ITYSKOLUIVBEOR-LLVKDONJSA-N 1 2 327.319 0.964 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)N3CCNC3=O)CC2)cc1 ZINC000022780753 212323105 /nfs/dbraw/zinc/32/31/05/212323105.db2.gz OUNSBJDEIQZHHN-UHFFFAOYSA-N 1 2 327.388 0.228 20 30 ECEDLO N#Cc1ccc(CN2CC[NH+](CC(=O)N3CCNC3=O)CC2)cc1 ZINC000022780753 212323107 /nfs/dbraw/zinc/32/31/07/212323107.db2.gz OUNSBJDEIQZHHN-UHFFFAOYSA-N 1 2 327.388 0.228 20 30 ECEDLO Cn1nc2c(cc1=O)C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)CC2 ZINC000266198601 248166594 /nfs/dbraw/zinc/16/65/94/248166594.db2.gz ISBFQNBZWBCHSG-UHFFFAOYSA-N 1 2 337.383 0.326 20 30 ECEDLO Cn1nc2c(cc1=O)C[N@H+](CC(=O)NCc1ccc(C#N)cc1)CC2 ZINC000266198601 248166597 /nfs/dbraw/zinc/16/65/97/248166597.db2.gz ISBFQNBZWBCHSG-UHFFFAOYSA-N 1 2 337.383 0.326 20 30 ECEDLO COC(=O)C[C@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000267727476 251290544 /nfs/dbraw/zinc/29/05/44/251290544.db2.gz ZQTBLJSQNHSWDN-HOCLYGCPSA-N 1 2 334.372 0.562 20 30 ECEDLO COC(=O)C[C@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000267727476 251290554 /nfs/dbraw/zinc/29/05/54/251290554.db2.gz ZQTBLJSQNHSWDN-HOCLYGCPSA-N 1 2 334.372 0.562 20 30 ECEDLO COC(=O)C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000267727475 251290743 /nfs/dbraw/zinc/29/07/43/251290743.db2.gz ZQTBLJSQNHSWDN-GOEBONIOSA-N 1 2 334.372 0.562 20 30 ECEDLO COC(=O)C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000267727475 251290747 /nfs/dbraw/zinc/29/07/47/251290747.db2.gz ZQTBLJSQNHSWDN-GOEBONIOSA-N 1 2 334.372 0.562 20 30 ECEDLO C#CCNC(=O)CC[N@@H+](CCNC(C)=O)[C@@H](C)C(=O)OC(C)(C)C ZINC000294601440 254584382 /nfs/dbraw/zinc/58/43/82/254584382.db2.gz NQOKHOFAACDNDG-ZDUSSCGKSA-N 1 2 339.436 0.294 20 30 ECEDLO C#CCNC(=O)CC[N@H+](CCNC(C)=O)[C@@H](C)C(=O)OC(C)(C)C ZINC000294601440 254584383 /nfs/dbraw/zinc/58/43/83/254584383.db2.gz NQOKHOFAACDNDG-ZDUSSCGKSA-N 1 2 339.436 0.294 20 30 ECEDLO COC(=O)C1(O)CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000330612967 254640516 /nfs/dbraw/zinc/64/05/16/254640516.db2.gz YJAIKPJXWKZXJY-WFASDCNBSA-N 1 2 325.409 0.429 20 30 ECEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416658687 292046405 /nfs/dbraw/zinc/04/64/05/292046405.db2.gz GBUIIDRUGADTPO-KBPBESRZSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416658687 292046406 /nfs/dbraw/zinc/04/64/06/292046406.db2.gz GBUIIDRUGADTPO-KBPBESRZSA-N 1 2 337.445 0.942 20 30 ECEDLO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cccc(C)c2C#N)CC1 ZINC000180297261 286943310 /nfs/dbraw/zinc/94/33/10/286943310.db2.gz GVKRWNWDEULQMK-CQSZACIVSA-N 1 2 337.445 0.944 20 30 ECEDLO N#Cc1cccnc1-n1cc(NC(=O)NCC[NH+]2CCOCC2)cn1 ZINC000184637239 164965203 /nfs/dbraw/zinc/96/52/03/164965203.db2.gz VSOBSPPNDSSGCX-UHFFFAOYSA-N 1 2 341.375 0.593 20 30 ECEDLO N#Cc1cnc(N2CC[NH+](CC(=O)NC3CCCCC3)CC2)cn1 ZINC000123715216 222322010 /nfs/dbraw/zinc/32/20/10/222322010.db2.gz QIKYVOLUWLSEHC-UHFFFAOYSA-N 1 2 328.420 0.919 20 30 ECEDLO N#Cc1cccc([C@H]2CN(C[C@@H](O)C[NH+]3CCOCC3)CCO2)c1 ZINC000331620471 269973702 /nfs/dbraw/zinc/97/37/02/269973702.db2.gz SCDZWJSHDYUTLH-ZWKOTPCHSA-N 1 2 331.416 0.625 20 30 ECEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@@H](O)CN3CCOCC3)CCO2)c1 ZINC000331620471 269973703 /nfs/dbraw/zinc/97/37/03/269973703.db2.gz SCDZWJSHDYUTLH-ZWKOTPCHSA-N 1 2 331.416 0.625 20 30 ECEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@@H](O)CN3CCOCC3)CCO2)c1 ZINC000331620471 269973704 /nfs/dbraw/zinc/97/37/04/269973704.db2.gz SCDZWJSHDYUTLH-ZWKOTPCHSA-N 1 2 331.416 0.625 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)C[C@@H]21 ZINC000285261226 264296190 /nfs/dbraw/zinc/29/61/90/264296190.db2.gz OEHOSZSTCYYSPM-LSDHHAIUSA-N 1 2 328.372 0.428 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)C[C@@H]21 ZINC000285261226 264296191 /nfs/dbraw/zinc/29/61/91/264296191.db2.gz OEHOSZSTCYYSPM-LSDHHAIUSA-N 1 2 328.372 0.428 20 30 ECEDLO CCOC(=O)[C@@](C)(O)C[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000289475472 264563356 /nfs/dbraw/zinc/56/33/56/264563356.db2.gz NMSKTGWXIGIVEL-HNNXBMFYSA-N 1 2 338.433 0.759 20 30 ECEDLO N#Cc1ccc(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)nn1 ZINC000301951138 270005783 /nfs/dbraw/zinc/00/57/83/270005783.db2.gz BMLLTCQFVJSWFS-UHFFFAOYSA-N 1 2 337.387 0.894 20 30 ECEDLO COC[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000339352828 270005933 /nfs/dbraw/zinc/00/59/33/270005933.db2.gz DLTUFVADMCMIQS-CABCVRRESA-N 1 2 330.388 0.486 20 30 ECEDLO COC[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000339352828 270005934 /nfs/dbraw/zinc/00/59/34/270005934.db2.gz DLTUFVADMCMIQS-CABCVRRESA-N 1 2 330.388 0.486 20 30 ECEDLO CC[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)CC[N@@H+]1CCOC ZINC000277050749 266381748 /nfs/dbraw/zinc/38/17/48/266381748.db2.gz QEPLNRQVRXSSJG-CYBMUJFWSA-N 1 2 338.433 0.685 20 30 ECEDLO CC[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)CC[N@H+]1CCOC ZINC000277050749 266381752 /nfs/dbraw/zinc/38/17/52/266381752.db2.gz QEPLNRQVRXSSJG-CYBMUJFWSA-N 1 2 338.433 0.685 20 30 ECEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000330664180 267137857 /nfs/dbraw/zinc/13/78/57/267137857.db2.gz YCKJBJYRSRSAJZ-BXUZGUMPSA-N 1 2 336.417 0.638 20 30 ECEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000330664180 267137860 /nfs/dbraw/zinc/13/78/60/267137860.db2.gz YCKJBJYRSRSAJZ-BXUZGUMPSA-N 1 2 336.417 0.638 20 30 ECEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cc[nH+]cc1O ZINC000358321220 267187492 /nfs/dbraw/zinc/18/74/92/267187492.db2.gz APAZKTZUMFEROD-JTQLQIEISA-N 1 2 346.368 0.386 20 30 ECEDLO Cc1cc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc[nH+]1 ZINC000358059780 267297272 /nfs/dbraw/zinc/29/72/72/267297272.db2.gz JGDIMCNKFXXVNS-UHFFFAOYSA-N 1 2 330.369 0.601 20 30 ECEDLO Cc1cc(C#N)nc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1 ZINC000287911952 267315425 /nfs/dbraw/zinc/31/54/25/267315425.db2.gz PRMJEJBRUQSSBT-AWEZNQCLSA-N 1 2 328.420 0.790 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cc(C#N)cs1 ZINC000529749354 267330682 /nfs/dbraw/zinc/33/06/82/267330682.db2.gz AFOCJAGAWDELPY-INIZCTEOSA-N 1 2 335.429 0.965 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cc(C#N)cs1 ZINC000529749354 267330683 /nfs/dbraw/zinc/33/06/83/267330683.db2.gz AFOCJAGAWDELPY-INIZCTEOSA-N 1 2 335.429 0.965 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccnc(C#N)c1 ZINC000529751412 267331931 /nfs/dbraw/zinc/33/19/31/267331931.db2.gz INEWSUGGQSDLCU-QGZVFWFLSA-N 1 2 330.388 0.299 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccnc(C#N)c1 ZINC000529751412 267331933 /nfs/dbraw/zinc/33/19/33/267331933.db2.gz INEWSUGGQSDLCU-QGZVFWFLSA-N 1 2 330.388 0.299 20 30 ECEDLO N#Cc1ccc(C2(C(=O)N(CCO)CC[NH+]3CCOCC3)CC2)cc1 ZINC000338221176 268051583 /nfs/dbraw/zinc/05/15/83/268051583.db2.gz QHRRGXLWWZPTLT-UHFFFAOYSA-N 1 2 343.427 0.743 20 30 ECEDLO N#Cc1ccc(N2CC[NH+](CC(=O)NCc3ccccc3)CC2)nn1 ZINC000301837136 268116547 /nfs/dbraw/zinc/11/65/47/268116547.db2.gz MIONDMCXXQPKTP-UHFFFAOYSA-N 1 2 336.399 0.787 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(OCCO)CC2)nc1 ZINC000343708939 268187084 /nfs/dbraw/zinc/18/70/84/268187084.db2.gz KBTSPZGATFLPFW-UHFFFAOYSA-N 1 2 339.417 0.200 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCSC3)CC2)cn1 ZINC000364134389 268194082 /nfs/dbraw/zinc/19/40/82/268194082.db2.gz FNVXLNGZDRXQNJ-CYBMUJFWSA-N 1 2 338.458 0.765 20 30 ECEDLO N#Cc1ccc([C@@H](O)C[NH+]2CCN(CC(=O)NC3CC3)CC2)cc1 ZINC000268659442 268212536 /nfs/dbraw/zinc/21/25/36/268212536.db2.gz XVONKJIABZWDHT-KRWDZBQOSA-N 1 2 328.416 0.488 20 30 ECEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1 ZINC000355104336 268214862 /nfs/dbraw/zinc/21/48/62/268214862.db2.gz MDWVGCVUVQGSMB-LSDHHAIUSA-N 1 2 327.388 0.621 20 30 ECEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1 ZINC000355104336 268214865 /nfs/dbraw/zinc/21/48/65/268214865.db2.gz MDWVGCVUVQGSMB-LSDHHAIUSA-N 1 2 327.388 0.621 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1 ZINC000364953490 268275205 /nfs/dbraw/zinc/27/52/05/268275205.db2.gz HGUQPXPVCNSYKE-IMJJTQAJSA-N 1 2 347.440 0.918 20 30 ECEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1 ZINC000364953490 268275207 /nfs/dbraw/zinc/27/52/07/268275207.db2.gz HGUQPXPVCNSYKE-IMJJTQAJSA-N 1 2 347.440 0.918 20 30 ECEDLO N#Cc1cccnc1N[C@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000378569020 268287590 /nfs/dbraw/zinc/28/75/90/268287590.db2.gz KNYOLLYGIMEJGM-HNNXBMFYSA-N 1 2 329.404 0.688 20 30 ECEDLO N#Cc1ncn(CC(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)n1 ZINC000338263066 268333252 /nfs/dbraw/zinc/33/32/52/268333252.db2.gz XFGFXFITCDTLRV-ZDUSSCGKSA-N 1 2 330.779 0.976 20 30 ECEDLO C[C@@H](O)C[NH+]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000189394181 437596557 /nfs/dbraw/zinc/59/65/57/437596557.db2.gz JBHQOWGWJJQKGQ-CQSZACIVSA-N 1 2 337.445 0.330 20 30 ECEDLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2C#N)CC[N@H+](C)C1 ZINC000416592176 277098930 /nfs/dbraw/zinc/09/89/30/277098930.db2.gz UOBFJOZZXWRUDU-CYBMUJFWSA-N 1 2 337.401 0.284 20 30 ECEDLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2C#N)CC[N@@H+](C)C1 ZINC000416592176 277098932 /nfs/dbraw/zinc/09/89/32/277098932.db2.gz UOBFJOZZXWRUDU-CYBMUJFWSA-N 1 2 337.401 0.284 20 30 ECEDLO COC(=O)c1cc(CNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)oc1C ZINC000330712552 437597239 /nfs/dbraw/zinc/59/72/39/437597239.db2.gz AXFWQWMYUIQQTL-GFCCVEGCSA-N 1 2 338.408 0.624 20 30 ECEDLO COC(=O)c1cc(CNC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)oc1C ZINC000330712552 437597241 /nfs/dbraw/zinc/59/72/41/437597241.db2.gz AXFWQWMYUIQQTL-GFCCVEGCSA-N 1 2 338.408 0.624 20 30 ECEDLO Cc1nnc(N2CCC(N3CC[N@@H+](C)CC3=O)CC2)c(C#N)c1C ZINC000378603656 279223104 /nfs/dbraw/zinc/22/31/04/279223104.db2.gz DBGFZUVFHZACKU-UHFFFAOYSA-N 1 2 328.420 0.708 20 30 ECEDLO Cc1nnc(N2CCC(N3CC[N@H+](C)CC3=O)CC2)c(C#N)c1C ZINC000378603656 279223106 /nfs/dbraw/zinc/22/31/06/279223106.db2.gz DBGFZUVFHZACKU-UHFFFAOYSA-N 1 2 328.420 0.708 20 30 ECEDLO CN(C(=O)C[N@@H+]1CCC[C@H]1CS(N)(=O)=O)C1(C#N)CCCCC1 ZINC000330748590 437606295 /nfs/dbraw/zinc/60/62/95/437606295.db2.gz AKQAUGZGGWBRHN-ZDUSSCGKSA-N 1 2 342.465 0.424 20 30 ECEDLO CN(C(=O)C[N@H+]1CCC[C@H]1CS(N)(=O)=O)C1(C#N)CCCCC1 ZINC000330748590 437606300 /nfs/dbraw/zinc/60/63/00/437606300.db2.gz AKQAUGZGGWBRHN-ZDUSSCGKSA-N 1 2 342.465 0.424 20 30 ECEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)[C@H](C)C1 ZINC000291600737 437611218 /nfs/dbraw/zinc/61/12/18/437611218.db2.gz AAEXHEXCMCIJBI-VXGBXAGGSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)[C@H](C)C1 ZINC000291600737 437611223 /nfs/dbraw/zinc/61/12/23/437611223.db2.gz AAEXHEXCMCIJBI-VXGBXAGGSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000070017615 435984222 /nfs/dbraw/zinc/98/42/22/435984222.db2.gz YBROLPJFESFZFD-HIFRSBDPSA-N 1 2 340.445 0.857 20 30 ECEDLO C[C@H](CS(C)(=O)=O)[N@@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000070017615 435984226 /nfs/dbraw/zinc/98/42/26/435984226.db2.gz YBROLPJFESFZFD-HIFRSBDPSA-N 1 2 340.445 0.857 20 30 ECEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000070945302 435999835 /nfs/dbraw/zinc/99/98/35/435999835.db2.gz VGKMFIHKPXAPAI-UHFFFAOYSA-N 1 2 326.404 0.860 20 30 ECEDLO Cc1ccn2ncc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)c2n1 ZINC000072572123 436047404 /nfs/dbraw/zinc/04/74/04/436047404.db2.gz YGIKGVFWVKOYIJ-UHFFFAOYSA-N 1 2 342.403 0.726 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2cn(CC(=O)C(C)(C)C)nn2)CC1 ZINC000073228509 436073293 /nfs/dbraw/zinc/07/32/93/436073293.db2.gz QRDDKRJHNBXWRH-UHFFFAOYSA-N 1 2 331.420 0.674 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000074259628 436117445 /nfs/dbraw/zinc/11/74/45/436117445.db2.gz GHHNEVAMNQONQJ-UHFFFAOYSA-N 1 2 341.337 0.757 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000074259628 436117449 /nfs/dbraw/zinc/11/74/49/436117449.db2.gz GHHNEVAMNQONQJ-UHFFFAOYSA-N 1 2 341.337 0.757 20 30 ECEDLO COC(=O)CC[N@H+](CC(=O)NCC#N)Cc1cccc(F)c1F ZINC000076180616 436195899 /nfs/dbraw/zinc/19/58/99/436195899.db2.gz MSOUQFSASIREJA-UHFFFAOYSA-N 1 2 325.315 0.970 20 30 ECEDLO COC(=O)CC[N@@H+](CC(=O)NCC#N)Cc1cccc(F)c1F ZINC000076180616 436195902 /nfs/dbraw/zinc/19/59/02/436195902.db2.gz MSOUQFSASIREJA-UHFFFAOYSA-N 1 2 325.315 0.970 20 30 ECEDLO CN(C)C(=O)N1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000078651569 436275639 /nfs/dbraw/zinc/27/56/39/436275639.db2.gz SNHYBWLYDWMLJL-OAHLLOKOSA-N 1 2 332.404 0.597 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000078794840 436277358 /nfs/dbraw/zinc/27/73/58/436277358.db2.gz UUWRDHOASPWLSS-ZDUSSCGKSA-N 1 2 342.403 0.476 20 30 ECEDLO C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000042532954 436306491 /nfs/dbraw/zinc/30/64/91/436306491.db2.gz UFYQSWVKQRFPJX-ZDUSSCGKSA-N 1 2 346.412 0.613 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000042537897 436306996 /nfs/dbraw/zinc/30/69/96/436306996.db2.gz NNMMDSFHLNHXAH-HNNXBMFYSA-N 1 2 325.416 0.590 20 30 ECEDLO C[C@@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000083559555 436373588 /nfs/dbraw/zinc/37/35/88/436373588.db2.gz KPLQXCWZRYGART-PBHICJAKSA-N 1 2 346.431 0.954 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](CCC(F)(F)F)C[C@H](O)CO ZINC000084867145 436386527 /nfs/dbraw/zinc/38/65/27/436386527.db2.gz YXTKHSXILHMRTB-WCQYABFASA-N 1 2 339.358 0.648 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](CCC(F)(F)F)C[C@H](O)CO ZINC000084867145 436386530 /nfs/dbraw/zinc/38/65/30/436386530.db2.gz YXTKHSXILHMRTB-WCQYABFASA-N 1 2 339.358 0.648 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000081703244 436354316 /nfs/dbraw/zinc/35/43/16/436354316.db2.gz FZFDELCDJGXKMS-UHFFFAOYSA-N 1 2 339.403 0.239 20 30 ECEDLO C=C(C)CN(CC)C(=O)CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000049976143 436472675 /nfs/dbraw/zinc/47/26/75/436472675.db2.gz INCAUOYBBYUAJU-UHFFFAOYSA-N 1 2 336.480 0.651 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC000049976143 436472679 /nfs/dbraw/zinc/47/26/79/436472679.db2.gz INCAUOYBBYUAJU-UHFFFAOYSA-N 1 2 336.480 0.651 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000094155552 436491148 /nfs/dbraw/zinc/49/11/48/436491148.db2.gz SWTPATSXEVZKMX-AWEZNQCLSA-N 1 2 331.420 0.616 20 30 ECEDLO Cn1cc[nH+]c1CN1CCN(S(=O)(=O)CCCCC#N)CC1 ZINC000109343497 436625176 /nfs/dbraw/zinc/62/51/76/436625176.db2.gz YZMGLLRMBIINQE-UHFFFAOYSA-N 1 2 325.438 0.561 20 30 ECEDLO N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000057554379 436612918 /nfs/dbraw/zinc/61/29/18/436612918.db2.gz HMMGRRADAAGEAI-HNNXBMFYSA-N 1 2 347.440 0.826 20 30 ECEDLO N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000057554379 436612922 /nfs/dbraw/zinc/61/29/22/436612922.db2.gz HMMGRRADAAGEAI-HNNXBMFYSA-N 1 2 347.440 0.826 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)nc1 ZINC000107761740 436614713 /nfs/dbraw/zinc/61/47/13/436614713.db2.gz OMDMNPLJXNKHOF-UHFFFAOYSA-N 1 2 341.415 0.724 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)nc1 ZINC000107761740 436614717 /nfs/dbraw/zinc/61/47/17/436614717.db2.gz OMDMNPLJXNKHOF-UHFFFAOYSA-N 1 2 341.415 0.724 20 30 ECEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C#N)cn2)CC1 ZINC000107761759 436615206 /nfs/dbraw/zinc/61/52/06/436615206.db2.gz LFAYSYRICKCBTA-UHFFFAOYSA-N 1 2 343.431 0.970 20 30 ECEDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2ccc(C#N)cn2)CC1 ZINC000107761759 436615208 /nfs/dbraw/zinc/61/52/08/436615208.db2.gz LFAYSYRICKCBTA-UHFFFAOYSA-N 1 2 343.431 0.970 20 30 ECEDLO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060481660 436633723 /nfs/dbraw/zinc/63/37/23/436633723.db2.gz ADJPZKWNYYRWFI-GFCCVEGCSA-N 1 2 330.392 0.309 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccnc2[nH]cnc21 ZINC000272224691 436710191 /nfs/dbraw/zinc/71/01/91/436710191.db2.gz KUKHYZZMZMJKML-UHFFFAOYSA-N 1 2 328.376 0.646 20 30 ECEDLO N#CC1CC[NH+](CC(=O)NCc2ccc(OCC(N)=O)cc2)CC1 ZINC000141950440 436671945 /nfs/dbraw/zinc/67/19/45/436671945.db2.gz FDSQEZQBDQKWNF-UHFFFAOYSA-N 1 2 330.388 0.402 20 30 ECEDLO C=CCCOCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000144534520 436676660 /nfs/dbraw/zinc/67/66/60/436676660.db2.gz REMOIFRJMDYDCR-UHFFFAOYSA-N 1 2 330.392 0.605 20 30 ECEDLO COCCCNC(=O)C[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000067460020 436714466 /nfs/dbraw/zinc/71/44/66/436714466.db2.gz RONGFIIKUILFSP-UHFFFAOYSA-N 1 2 331.420 0.618 20 30 ECEDLO COCCCNC(=O)C[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000067460020 436714468 /nfs/dbraw/zinc/71/44/68/436714468.db2.gz RONGFIIKUILFSP-UHFFFAOYSA-N 1 2 331.420 0.618 20 30 ECEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000152900222 436743164 /nfs/dbraw/zinc/74/31/64/436743164.db2.gz WFDLIWNWJAUHER-JKSUJKDBSA-N 1 2 344.415 0.337 20 30 ECEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000152900222 436743167 /nfs/dbraw/zinc/74/31/67/436743167.db2.gz WFDLIWNWJAUHER-JKSUJKDBSA-N 1 2 344.415 0.337 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2c(C)oc3ncn(C)c(=O)c32)CC1 ZINC000068445633 436745698 /nfs/dbraw/zinc/74/56/98/436745698.db2.gz UPGNOPCFOYUNSX-UHFFFAOYSA-N 1 2 328.372 0.616 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)nnc2CC)CC1 ZINC000273545333 436764177 /nfs/dbraw/zinc/76/41/77/436764177.db2.gz BETQRKLTYWWHHE-UHFFFAOYSA-N 1 2 343.431 0.245 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)nnc2CC)CC1 ZINC000273545333 436764181 /nfs/dbraw/zinc/76/41/81/436764181.db2.gz BETQRKLTYWWHHE-UHFFFAOYSA-N 1 2 343.431 0.245 20 30 ECEDLO C[C@H](CO)[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)C[C@H](C)O ZINC000248966119 436813810 /nfs/dbraw/zinc/81/38/10/436813810.db2.gz RVWXYQPWLKGTOS-OLZOCXBDSA-N 1 2 326.418 0.396 20 30 ECEDLO C[C@H](CO)[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)C[C@H](C)O ZINC000248966119 436813811 /nfs/dbraw/zinc/81/38/11/436813811.db2.gz RVWXYQPWLKGTOS-OLZOCXBDSA-N 1 2 326.418 0.396 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000125869451 436778499 /nfs/dbraw/zinc/77/84/99/436778499.db2.gz RCPZDLGODGFPJH-YGRLFVJLSA-N 1 2 327.381 0.695 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000125869451 436778501 /nfs/dbraw/zinc/77/85/01/436778501.db2.gz RCPZDLGODGFPJH-YGRLFVJLSA-N 1 2 327.381 0.695 20 30 ECEDLO Cc1ccc(C#N)c(N2CC[NH+](CC(=O)N3CCOCC3)CC2)n1 ZINC000127565131 436804950 /nfs/dbraw/zinc/80/49/50/436804950.db2.gz SFZZIZYHHRFFGT-UHFFFAOYSA-N 1 2 329.404 0.243 20 30 ECEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)n1 ZINC000279721961 436834863 /nfs/dbraw/zinc/83/48/63/436834863.db2.gz LYDOLQIHPRMMKP-CABCVRRESA-N 1 2 345.447 0.451 20 30 ECEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)n1 ZINC000279721961 436834869 /nfs/dbraw/zinc/83/48/69/436834869.db2.gz LYDOLQIHPRMMKP-CABCVRRESA-N 1 2 345.447 0.451 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(C#N)ccc2OC)CC1 ZINC000160885941 436880076 /nfs/dbraw/zinc/88/00/76/436880076.db2.gz GKXHMTNSLTXREZ-UHFFFAOYSA-N 1 2 328.416 0.987 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2cc(C#N)ccc2OC)CC1 ZINC000160885941 436880080 /nfs/dbraw/zinc/88/00/80/436880080.db2.gz GKXHMTNSLTXREZ-UHFFFAOYSA-N 1 2 328.416 0.987 20 30 ECEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1sccc1C#N ZINC000293691805 436900109 /nfs/dbraw/zinc/90/01/09/436900109.db2.gz LFBXSCYHLSTUTC-AAEUAGOBSA-N 1 2 348.428 0.880 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000295659440 436974882 /nfs/dbraw/zinc/97/48/82/436974882.db2.gz QOUUVGCQWGKJBD-NEPJUHHUSA-N 1 2 326.397 0.549 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000295659440 436974886 /nfs/dbraw/zinc/97/48/86/436974886.db2.gz QOUUVGCQWGKJBD-NEPJUHHUSA-N 1 2 326.397 0.549 20 30 ECEDLO C[C@@H](C(=O)N1CCN(c2ncccc2C#N)CC1)[NH+]1CCN(C)CC1 ZINC000263668896 436976231 /nfs/dbraw/zinc/97/62/31/436976231.db2.gz KJTMGFZNHIZJFV-HNNXBMFYSA-N 1 2 342.447 0.238 20 30 ECEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298049678 437024200 /nfs/dbraw/zinc/02/42/00/437024200.db2.gz INFJBKNAFHADQS-CYBMUJFWSA-N 1 2 346.391 0.872 20 30 ECEDLO C#CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC=C)CC1 ZINC000283561101 437031360 /nfs/dbraw/zinc/03/13/60/437031360.db2.gz QRHZDJXMXRUVAR-UHFFFAOYSA-N 1 2 328.420 0.455 20 30 ECEDLO C=CCN(CC=C)C(=O)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000283982772 437032146 /nfs/dbraw/zinc/03/21/46/437032146.db2.gz LUBXZKLTGUBRMS-UHFFFAOYSA-N 1 2 344.415 0.735 20 30 ECEDLO C=CCN(CCc1ccco1)C(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000283892251 437032789 /nfs/dbraw/zinc/03/27/89/437032789.db2.gz JBIICOJHENUVQP-OAHLLOKOSA-N 1 2 349.431 0.674 20 30 ECEDLO CNC(=O)c1cccc(NC(=O)[C@H](C)O[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000284442147 437052797 /nfs/dbraw/zinc/05/27/97/437052797.db2.gz PLIGFEIKTYYTIP-GXFFZTMASA-N 1 2 334.376 0.841 20 30 ECEDLO C=CCCN(C)C(=O)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000284448644 437052809 /nfs/dbraw/zinc/05/28/09/437052809.db2.gz MHXLOJDLKMNTQU-UHFFFAOYSA-N 1 2 332.404 0.569 20 30 ECEDLO C[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 ZINC000299362959 437072382 /nfs/dbraw/zinc/07/23/82/437072382.db2.gz YQCMQRQICZDDNI-UHFFFAOYSA-N 1 2 336.417 0.266 20 30 ECEDLO Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c1C#N ZINC000285383245 437078037 /nfs/dbraw/zinc/07/80/37/437078037.db2.gz VORLTGBTGSUOTA-CVEARBPZSA-N 1 2 342.399 0.737 20 30 ECEDLO Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1C#N ZINC000285383245 437078039 /nfs/dbraw/zinc/07/80/39/437078039.db2.gz VORLTGBTGSUOTA-CVEARBPZSA-N 1 2 342.399 0.737 20 30 ECEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3ccc(F)cc3C#N)C[C@@H]21 ZINC000285196010 437075721 /nfs/dbraw/zinc/07/57/21/437075721.db2.gz LLTUDTPRAJIKGQ-GJZGRUSLSA-N 1 2 346.362 0.567 20 30 ECEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)C(=O)Nc3ccc(F)cc3C#N)C[C@@H]21 ZINC000285196010 437075725 /nfs/dbraw/zinc/07/57/25/437075725.db2.gz LLTUDTPRAJIKGQ-GJZGRUSLSA-N 1 2 346.362 0.567 20 30 ECEDLO N#CCCN(C(=O)C[N@H+]1CC[C@@H](S(N)(=O)=O)C1)c1ccccc1 ZINC000357360247 303151908 /nfs/dbraw/zinc/15/19/08/303151908.db2.gz CIEOEAPRNNHMNC-CQSZACIVSA-N 1 2 336.417 0.296 20 30 ECEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@@H](S(N)(=O)=O)C1)c1ccccc1 ZINC000357360247 303151909 /nfs/dbraw/zinc/15/19/09/303151909.db2.gz CIEOEAPRNNHMNC-CQSZACIVSA-N 1 2 336.417 0.296 20 30 ECEDLO C#CCN(CC#N)C(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000286164551 437089113 /nfs/dbraw/zinc/08/91/13/437089113.db2.gz MCMKBZKACIXTHT-RHSMWYFYSA-N 1 2 339.399 0.848 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCc2c(ncn(CC)c2=O)C1 ZINC000286234134 437087707 /nfs/dbraw/zinc/08/77/07/437087707.db2.gz RNHWTBYTFRZUMX-LLVKDONJSA-N 1 2 333.392 0.022 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCc2c(ncn(CC)c2=O)C1 ZINC000286234134 437087712 /nfs/dbraw/zinc/08/77/12/437087712.db2.gz RNHWTBYTFRZUMX-LLVKDONJSA-N 1 2 333.392 0.022 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cn(C)nc2C(C)C)CC1 ZINC000265046550 437102372 /nfs/dbraw/zinc/10/23/72/437102372.db2.gz RCLCCIVTUFFAJU-UHFFFAOYSA-N 1 2 345.447 0.441 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cn(C)nc2C(C)C)CC1 ZINC000265046550 437102382 /nfs/dbraw/zinc/10/23/82/437102382.db2.gz RCLCCIVTUFFAJU-UHFFFAOYSA-N 1 2 345.447 0.441 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccnc(F)c2F)CC1 ZINC000276522657 437120110 /nfs/dbraw/zinc/12/01/10/437120110.db2.gz CTYLUFFFJGARPX-UHFFFAOYSA-N 1 2 336.342 0.257 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccnc(F)c2F)CC1 ZINC000276522657 437120113 /nfs/dbraw/zinc/12/01/13/437120113.db2.gz CTYLUFFFJGARPX-UHFFFAOYSA-N 1 2 336.342 0.257 20 30 ECEDLO Cn1c(=O)c(C#N)c(N2CC[C@@H](Oc3cc[nH+]cc3)C2)n(C)c1=O ZINC000301647375 437127321 /nfs/dbraw/zinc/12/73/21/437127321.db2.gz QDVBUQNRCSDEGV-GFCCVEGCSA-N 1 2 327.344 0.008 20 30 ECEDLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000301804577 437130408 /nfs/dbraw/zinc/13/04/08/437130408.db2.gz UZEFLTFJIHZNAA-AWEZNQCLSA-N 1 2 329.404 0.323 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000265469798 437136574 /nfs/dbraw/zinc/13/65/74/437136574.db2.gz PARDLXRUZBURSX-AWEZNQCLSA-N 1 2 343.431 0.668 20 30 ECEDLO N#CC1(NC(=O)CN2CCN(Cc3[nH]cc[nH+]3)CC2)CCCCC1 ZINC000331904669 437178733 /nfs/dbraw/zinc/17/87/33/437178733.db2.gz WVAYDVMQWYUOIC-UHFFFAOYSA-N 1 2 330.436 0.870 20 30 ECEDLO C#CCOc1ccc(C(=O)NCC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000265945750 437212182 /nfs/dbraw/zinc/21/21/82/437212182.db2.gz KTGYIAOBJIZGFW-UHFFFAOYSA-N 1 2 329.400 0.593 20 30 ECEDLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000321598227 437212648 /nfs/dbraw/zinc/21/26/48/437212648.db2.gz LBEUWHLZJIMYRW-UHFFFAOYSA-N 1 2 337.445 0.777 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)COc2ccccc2C#N)CC1 ZINC000266709990 437232181 /nfs/dbraw/zinc/23/21/81/437232181.db2.gz IWMYNDUDMXCJEQ-UHFFFAOYSA-N 1 2 330.388 0.345 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1 ZINC000325845599 437232355 /nfs/dbraw/zinc/23/23/55/437232355.db2.gz YYLGEJQOZPPLQO-GDBMZVCRSA-N 1 2 347.440 0.932 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1 ZINC000325845599 437232359 /nfs/dbraw/zinc/23/23/59/437232359.db2.gz YYLGEJQOZPPLQO-GDBMZVCRSA-N 1 2 347.440 0.932 20 30 ECEDLO CC(=O)N1CC(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)C1 ZINC000328634755 437244436 /nfs/dbraw/zinc/24/44/36/437244436.db2.gz BQMORXLMGVFBRZ-UHFFFAOYSA-N 1 2 336.436 0.366 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)c2cccnc2)CC1 ZINC000266864995 437256868 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C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000329102794 437319178 /nfs/dbraw/zinc/31/91/78/437319178.db2.gz FTOSQYKRTHMIGD-FMKPAKJESA-N 1 2 327.425 0.549 20 30 ECEDLO CC(C)N1C(=O)N[C@@H]2CN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)CC[C@@H]21 ZINC000329122753 437320488 /nfs/dbraw/zinc/32/04/88/437320488.db2.gz LBDJHKDLEFGKFV-MCIONIFRSA-N 1 2 339.440 0.312 20 30 ECEDLO CC(C)N1C(=O)N[C@@H]2CN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)CC[C@@H]21 ZINC000329122753 437320492 /nfs/dbraw/zinc/32/04/92/437320492.db2.gz LBDJHKDLEFGKFV-MCIONIFRSA-N 1 2 339.440 0.312 20 30 ECEDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCN(C2CC2)C(=O)C1 ZINC000328838066 437271547 /nfs/dbraw/zinc/27/15/47/437271547.db2.gz TXLILFHIYHSTRI-ZDUSSCGKSA-N 1 2 329.404 0.881 20 30 ECEDLO C#CC[NH+]1CCN(CN2C(=O)C[C@]3(CCc4ccccc43)C2=O)CC1 ZINC000180510266 437292186 /nfs/dbraw/zinc/29/21/86/437292186.db2.gz XLRDCEKXRKZCHF-FQEVSTJZSA-N 1 2 337.423 0.838 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2cc(S(=O)(=O)NC)cs2)CC1 ZINC000267134200 437293520 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/nfs/dbraw/zinc/80/04/09/438800409.db2.gz OYMSKBZVSYLVGQ-HUUCEWRRSA-N 1 2 330.388 0.654 20 30 ECEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000557472606 438800410 /nfs/dbraw/zinc/80/04/10/438800410.db2.gz OYMSKBZVSYLVGQ-HUUCEWRRSA-N 1 2 330.388 0.654 20 30 ECEDLO CN(CC(=O)OC(C)(C)C)[C@H]1C[N@H+](C[C@H](C#N)CCC#N)C[C@H]1O ZINC000554252963 438761885 /nfs/dbraw/zinc/76/18/85/438761885.db2.gz HVKRVSDIVXWRMU-SOUVJXGZSA-N 1 2 336.436 0.749 20 30 ECEDLO CN(CC(=O)OC(C)(C)C)[C@H]1C[N@@H+](C[C@H](C#N)CCC#N)C[C@H]1O ZINC000554252963 438761888 /nfs/dbraw/zinc/76/18/88/438761888.db2.gz HVKRVSDIVXWRMU-SOUVJXGZSA-N 1 2 336.436 0.749 20 30 ECEDLO C[N@H+](CC(=O)OC(C)(C)C)[C@H]1CN(C[C@H](C#N)CCC#N)C[C@H]1O ZINC000554252963 438761890 /nfs/dbraw/zinc/76/18/90/438761890.db2.gz HVKRVSDIVXWRMU-SOUVJXGZSA-N 1 2 336.436 0.749 20 30 ECEDLO C[N@@H+](CC(=O)OC(C)(C)C)[C@H]1CN(C[C@H](C#N)CCC#N)C[C@H]1O ZINC000554252963 438761894 /nfs/dbraw/zinc/76/18/94/438761894.db2.gz HVKRVSDIVXWRMU-SOUVJXGZSA-N 1 2 336.436 0.749 20 30 ECEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1)C1CC1 ZINC000555591871 438775100 /nfs/dbraw/zinc/77/51/00/438775100.db2.gz DQYJSNYCNXIWBS-GOEBONIOSA-N 1 2 332.408 0.216 20 30 ECEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1)C1CC1 ZINC000555591871 438775104 /nfs/dbraw/zinc/77/51/04/438775104.db2.gz DQYJSNYCNXIWBS-GOEBONIOSA-N 1 2 332.408 0.216 20 30 ECEDLO N#Cc1csc(C[NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)n1 ZINC000558486191 438810604 /nfs/dbraw/zinc/81/06/04/438810604.db2.gz RYBLKVISPJEPHI-LBPRGKRZSA-N 1 2 335.433 0.037 20 30 ECEDLO COCCN(CCC#N)S(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000558561252 438813670 /nfs/dbraw/zinc/81/36/70/438813670.db2.gz ITQISQRTBFEBMN-UHFFFAOYSA-N 1 2 329.426 0.360 20 30 ECEDLO N#CCc1ccc(CS(=O)(=O)N2CC[NH+](CCCO)CC2)cc1 ZINC000577277417 438828047 /nfs/dbraw/zinc/82/80/47/438828047.db2.gz ORKLHZSDTFIWJP-UHFFFAOYSA-N 1 2 337.445 0.582 20 30 ECEDLO C=CCC[C@H](CO)NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000457953467 438844493 /nfs/dbraw/zinc/84/44/93/438844493.db2.gz RJCKFQIGQYNKLZ-GDBMZVCRSA-N 1 2 343.493 0.821 20 30 ECEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NCc2ccc(C#N)cc2F)C1 ZINC000601338144 438852236 /nfs/dbraw/zinc/85/22/36/438852236.db2.gz OREVHYOLLKPZGO-CYBMUJFWSA-N 1 2 327.381 0.447 20 30 ECEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NCc2ccc(C#N)cc2F)C1 ZINC000601338144 438852243 /nfs/dbraw/zinc/85/22/43/438852243.db2.gz OREVHYOLLKPZGO-CYBMUJFWSA-N 1 2 327.381 0.447 20 30 ECEDLO C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)[C@H](CO)C1 ZINC000601468393 438906212 /nfs/dbraw/zinc/90/62/12/438906212.db2.gz CNHQGSMMJMWWBA-AWEZNQCLSA-N 1 2 327.381 0.135 20 30 ECEDLO C[N@H+]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)[C@H](CO)C1 ZINC000601468393 438906218 /nfs/dbraw/zinc/90/62/18/438906218.db2.gz CNHQGSMMJMWWBA-AWEZNQCLSA-N 1 2 327.381 0.135 20 30 ECEDLO N#Cc1cncc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000589285555 438867627 /nfs/dbraw/zinc/86/76/27/438867627.db2.gz YTOMODLDFIQEJM-GJZGRUSLSA-N 1 2 336.417 0.173 20 30 ECEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000595841608 438869078 /nfs/dbraw/zinc/86/90/78/438869078.db2.gz MNRIKCRODRLYAY-UPJWGTAASA-N 1 2 341.433 0.182 20 30 ECEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000595841608 438869083 /nfs/dbraw/zinc/86/90/83/438869083.db2.gz MNRIKCRODRLYAY-UPJWGTAASA-N 1 2 341.433 0.182 20 30 ECEDLO C=CCNC(=O)CN1CCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000563757308 438869311 /nfs/dbraw/zinc/86/93/11/438869311.db2.gz ZKFGZBKLMVFEEA-UHFFFAOYSA-N 1 2 342.403 0.786 20 30 ECEDLO N#CCN1CCC(NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC1 ZINC000589400555 438869620 /nfs/dbraw/zinc/86/96/20/438869620.db2.gz VTEVILZEJSPKEN-UHFFFAOYSA-N 1 2 343.431 0.632 20 30 ECEDLO N#CCc1ccccc1S(=O)(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000601389548 438873156 /nfs/dbraw/zinc/87/31/56/438873156.db2.gz ATBYLSBDRCGQDZ-HOTGVXAUSA-N 1 2 349.456 0.972 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000564801254 438877208 /nfs/dbraw/zinc/87/72/08/438877208.db2.gz DNYDRUQUSHGZSH-HNNXBMFYSA-N 1 2 343.347 0.749 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1cccc(-n2cccn2)c1C#N ZINC000577866027 438878201 /nfs/dbraw/zinc/87/82/01/438878201.db2.gz WEHDVQRHZAKQSZ-OAHLLOKOSA-N 1 2 341.415 0.873 20 30 ECEDLO Cc1cc(S(=O)(=O)N2CC(C[NH+]3CCOCC3)C2)ccc1C#N ZINC000601418355 438884163 /nfs/dbraw/zinc/88/41/63/438884163.db2.gz PZXKEMVCOXZWDV-UHFFFAOYSA-N 1 2 335.429 0.819 20 30 ECEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(c3cc(C#N)cnn3)CC2)C1 ZINC000596061011 438920250 /nfs/dbraw/zinc/92/02/50/438920250.db2.gz MLXALXDWEUKBKO-HUUCEWRRSA-N 1 2 342.447 0.975 20 30 ECEDLO C[C@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)[C@@H]1C[N@H+](C)CCO1 ZINC000590750169 438952680 /nfs/dbraw/zinc/95/26/80/438952680.db2.gz UVEPYPKCCXVMTG-NHYWBVRUSA-N 1 2 341.408 0.836 20 30 ECEDLO C[C@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)[C@@H]1C[N@@H+](C)CCO1 ZINC000590750169 438952684 /nfs/dbraw/zinc/95/26/84/438952684.db2.gz UVEPYPKCCXVMTG-NHYWBVRUSA-N 1 2 341.408 0.836 20 30 ECEDLO N#CC1(CNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000517273935 438958721 /nfs/dbraw/zinc/95/87/21/438958721.db2.gz RVKUNOQLEYMHRM-UHFFFAOYSA-N 1 2 341.415 0.930 20 30 ECEDLO N#Cc1c(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)[nH]nc1N1CCOCC1 ZINC000601729705 438960845 /nfs/dbraw/zinc/96/08/45/438960845.db2.gz LOAYJZWEMUUXSC-CYBMUJFWSA-N 1 2 330.392 0.683 20 30 ECEDLO N#Cc1c(NC(=O)[C@H]2CCC[N@H+]2C2CC2)[nH]nc1N1CCOCC1 ZINC000601729705 438960851 /nfs/dbraw/zinc/96/08/51/438960851.db2.gz LOAYJZWEMUUXSC-CYBMUJFWSA-N 1 2 330.392 0.683 20 30 ECEDLO CC(C)Cn1c(N)c(C(=O)C[NH2+][C@H]2CCC[C@@H]2C#N)c(=O)[nH]c1=O ZINC000459464403 438970579 /nfs/dbraw/zinc/97/05/79/438970579.db2.gz MEORHSJNLDFIHK-MNOVXSKESA-N 1 2 333.392 0.652 20 30 ECEDLO N#CCCN(C(=O)C[N@@H+]1C[C@H](O)[C@@H](CO)C1)c1cccc(Cl)c1 ZINC000459708662 438991192 /nfs/dbraw/zinc/99/11/92/438991192.db2.gz RNJHFMXCTMKJLY-DOMZBBRYSA-N 1 2 337.807 0.872 20 30 ECEDLO N#CCCN(C(=O)C[N@H+]1C[C@H](O)[C@@H](CO)C1)c1cccc(Cl)c1 ZINC000459708662 438991196 /nfs/dbraw/zinc/99/11/96/438991196.db2.gz RNJHFMXCTMKJLY-DOMZBBRYSA-N 1 2 337.807 0.872 20 30 ECEDLO CC1(C)C[N@H+](CCNC(=O)C(=O)Nc2cc(F)cc(C#N)c2)CCO1 ZINC000602021905 438997410 /nfs/dbraw/zinc/99/74/10/438997410.db2.gz KTRQZVQRYMEFGD-UHFFFAOYSA-N 1 2 348.378 0.863 20 30 ECEDLO CC1(C)C[N@@H+](CCNC(=O)C(=O)Nc2cc(F)cc(C#N)c2)CCO1 ZINC000602021905 438997414 /nfs/dbraw/zinc/99/74/14/438997414.db2.gz KTRQZVQRYMEFGD-UHFFFAOYSA-N 1 2 348.378 0.863 20 30 ECEDLO N#Cc1cncc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)n1 ZINC000591458173 439016111 /nfs/dbraw/zinc/01/61/11/439016111.db2.gz GGVPHUDLRLBKRI-UHFFFAOYSA-N 1 2 328.420 0.873 20 30 ECEDLO CC(C)(CC#N)CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000591560786 439021068 /nfs/dbraw/zinc/02/10/68/439021068.db2.gz JVXSDLGUMCVBJS-CQSZACIVSA-N 1 2 336.436 0.366 20 30 ECEDLO C=CCCSCCNC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000597256824 439063540 /nfs/dbraw/zinc/06/35/40/439063540.db2.gz HJCSGMMBCDNURQ-ZIAGYGMSSA-N 1 2 343.493 0.637 20 30 ECEDLO Cc1cccc2c1ncn(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c2=O ZINC000566306270 439037567 /nfs/dbraw/zinc/03/75/67/439037567.db2.gz KVBNUSAOKOROSN-KRWDZBQOSA-N 1 2 327.388 0.665 20 30 ECEDLO N#Cc1csc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)n1 ZINC000566497631 439065356 /nfs/dbraw/zinc/06/53/56/439065356.db2.gz FDEMEBDAVSMGGI-UHFFFAOYSA-N 1 2 341.396 0.929 20 30 ECEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(CN2C(=O)CNC2=O)c1 ZINC000591773500 439082187 /nfs/dbraw/zinc/08/21/87/439082187.db2.gz BYQUBLCYJVNRNQ-HNNXBMFYSA-N 1 2 345.403 0.357 20 30 ECEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(CN2C(=O)CNC2=O)c1 ZINC000591773500 439082192 /nfs/dbraw/zinc/08/21/92/439082192.db2.gz BYQUBLCYJVNRNQ-HNNXBMFYSA-N 1 2 345.403 0.357 20 30 ECEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597362046 439084564 /nfs/dbraw/zinc/08/45/64/439084564.db2.gz WUCRUDIYIQOYOB-LBPRGKRZSA-N 1 2 339.342 0.602 20 30 ECEDLO CN1CC[NH+](C[C@H]2CN(c3ncc4c(c3C#N)CCC4)CCO2)CC1 ZINC000591820472 439085260 /nfs/dbraw/zinc/08/52/60/439085260.db2.gz WRFQZSLRBAAXPD-INIZCTEOSA-N 1 2 341.459 0.895 20 30 ECEDLO COC(=O)c1ccsc1N1CC[C@H]([N@@H+]2CC[C@@](O)(CC#N)C2)C1=O ZINC000592150770 439167227 /nfs/dbraw/zinc/16/72/27/439167227.db2.gz ITTSPYLXKPGKQT-LRDDRELGSA-N 1 2 349.412 0.990 20 30 ECEDLO COC(=O)c1ccsc1N1CC[C@H]([N@H+]2CC[C@@](O)(CC#N)C2)C1=O ZINC000592150770 439167231 /nfs/dbraw/zinc/16/72/31/439167231.db2.gz ITTSPYLXKPGKQT-LRDDRELGSA-N 1 2 349.412 0.990 20 30 ECEDLO C[C@@H]1C[NH+](CCNS(=O)(=O)c2ccccc2)C[C@@H](C)N1CC#N ZINC000602855222 439144613 /nfs/dbraw/zinc/14/46/13/439144613.db2.gz GOYWYXBWSRLNSP-HUUCEWRRSA-N 1 2 336.461 0.883 20 30 ECEDLO CN(CCCNC(=O)C[N@H+](C)[C@H]1CCC[C@H]1C#N)S(C)(=O)=O ZINC000602977402 439175647 /nfs/dbraw/zinc/17/56/47/439175647.db2.gz ASZFQTILCFNZEX-STQMWFEESA-N 1 2 330.454 0.008 20 30 ECEDLO CN(CCCNC(=O)C[N@@H+](C)[C@H]1CCC[C@H]1C#N)S(C)(=O)=O ZINC000602977402 439175652 /nfs/dbraw/zinc/17/56/52/439175652.db2.gz ASZFQTILCFNZEX-STQMWFEESA-N 1 2 330.454 0.008 20 30 ECEDLO CCOC(=O)[C@]1(C)C[N@H+](C[C@H](O)COc2ccccc2C#N)CCO1 ZINC000603005895 439182496 /nfs/dbraw/zinc/18/24/96/439182496.db2.gz SPEILDZJGLFQPO-YJBOKZPZSA-N 1 2 348.399 0.952 20 30 ECEDLO CCOC(=O)[C@]1(C)C[N@@H+](C[C@H](O)COc2ccccc2C#N)CCO1 ZINC000603005895 439182503 /nfs/dbraw/zinc/18/25/03/439182503.db2.gz SPEILDZJGLFQPO-YJBOKZPZSA-N 1 2 348.399 0.952 20 30 ECEDLO COC(=O)[C@H]1C[C@H](O)C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000592209396 439185228 /nfs/dbraw/zinc/18/52/28/439185228.db2.gz RTCFGTODYRBVPX-KBPBESRZSA-N 1 2 337.420 0.527 20 30 ECEDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000592209396 439185231 /nfs/dbraw/zinc/18/52/31/439185231.db2.gz RTCFGTODYRBVPX-KBPBESRZSA-N 1 2 337.420 0.527 20 30 ECEDLO C[C@@H]1C[N@H+](CCNC(=O)CNC(=O)c2ccc(C#N)cc2)[C@H](C)CO1 ZINC000597993220 439208961 /nfs/dbraw/zinc/20/89/61/439208961.db2.gz DOVYDCZOZPZQSQ-ZIAGYGMSSA-N 1 2 344.415 0.513 20 30 ECEDLO C[C@@H]1C[N@@H+](CCNC(=O)CNC(=O)c2ccc(C#N)cc2)[C@H](C)CO1 ZINC000597993220 439208965 /nfs/dbraw/zinc/20/89/65/439208965.db2.gz DOVYDCZOZPZQSQ-ZIAGYGMSSA-N 1 2 344.415 0.513 20 30 ECEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000581432824 439211477 /nfs/dbraw/zinc/21/14/77/439211477.db2.gz MCAUUZJPGMAOTG-SFHVURJKSA-N 1 2 339.399 0.865 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnn3ccccc23)CC1 ZINC000490670603 439283924 /nfs/dbraw/zinc/28/39/24/439283924.db2.gz NJOUKCGEQNDKBX-UHFFFAOYSA-N 1 2 339.399 0.232 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnn3ccccc23)CC1 ZINC000490670603 439283928 /nfs/dbraw/zinc/28/39/28/439283928.db2.gz NJOUKCGEQNDKBX-UHFFFAOYSA-N 1 2 339.399 0.232 20 30 ECEDLO Cc1nc(N2CCN(c3nccnc3C#N)C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000490087230 439254848 /nfs/dbraw/zinc/25/48/48/439254848.db2.gz ZBNFAGIFAMHQJF-LLVKDONJSA-N 1 2 339.407 0.623 20 30 ECEDLO Cc1nc(N(C)C)nc(N2CCN(c3nccnc3C#N)C[C@H]2C)[nH+]1 ZINC000490087230 439254850 /nfs/dbraw/zinc/25/48/50/439254850.db2.gz ZBNFAGIFAMHQJF-LLVKDONJSA-N 1 2 339.407 0.623 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000491070371 439328083 /nfs/dbraw/zinc/32/80/83/439328083.db2.gz BHNYHEIHVJZOOC-INIZCTEOSA-N 1 2 337.370 0.365 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000491070371 439328089 /nfs/dbraw/zinc/32/80/89/439328089.db2.gz BHNYHEIHVJZOOC-INIZCTEOSA-N 1 2 337.370 0.365 20 30 ECEDLO Cc1oc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1S(=O)(=O)N(C)C ZINC000569367396 439328572 /nfs/dbraw/zinc/32/85/72/439328572.db2.gz BDAULMNOYXJYDR-CQSZACIVSA-N 1 2 342.421 0.412 20 30 ECEDLO CCN1C(=O)[C@H]2C[N@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])CCN2C1=O ZINC000593015301 439330590 /nfs/dbraw/zinc/33/05/90/439330590.db2.gz QRVWBPBJCKYVTG-CQSZACIVSA-N 1 2 343.343 0.935 20 30 ECEDLO CCN1C(=O)[C@H]2C[N@@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])CCN2C1=O ZINC000593015301 439330596 /nfs/dbraw/zinc/33/05/96/439330596.db2.gz QRVWBPBJCKYVTG-CQSZACIVSA-N 1 2 343.343 0.935 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](C[C@H](O)c2ccccc2Cl)CC1 ZINC000491099865 439331891 /nfs/dbraw/zinc/33/18/91/439331891.db2.gz DKPGXQSLKRGSHA-INIZCTEOSA-N 1 2 335.835 0.740 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000491125206 439335907 /nfs/dbraw/zinc/33/59/07/439335907.db2.gz BLYPXDKRIXFILZ-INIZCTEOSA-N 1 2 348.491 0.533 20 30 ECEDLO C#CC[N@@H+](CC#CC)CC(=O)N(CCC(N)=O)Cc1ccccc1 ZINC000490678455 439286262 /nfs/dbraw/zinc/28/62/62/439286262.db2.gz NXSSCMUWTYJXMD-UHFFFAOYSA-N 1 2 325.412 0.849 20 30 ECEDLO C#CC[N@H+](CC#CC)CC(=O)N(CCC(N)=O)Cc1ccccc1 ZINC000490678455 439286267 /nfs/dbraw/zinc/28/62/67/439286267.db2.gz NXSSCMUWTYJXMD-UHFFFAOYSA-N 1 2 325.412 0.849 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2nnc(Cc3ccc(C)cc3)n2)CC1 ZINC000490715025 439289345 /nfs/dbraw/zinc/28/93/45/439289345.db2.gz TUKGYNCFABTTCQ-UHFFFAOYSA-N 1 2 338.415 0.350 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)CN(c3ccccc3)C2=O)CC1 ZINC000490778571 439297865 /nfs/dbraw/zinc/29/78/65/439297865.db2.gz HNTFNGQFASAPSP-UHFFFAOYSA-N 1 2 340.383 0.233 20 30 ECEDLO C#CCNS(=O)(=O)c1ccc(C(=O)NCc2[nH]c[nH+]c2C)cc1 ZINC000490778540 439298684 /nfs/dbraw/zinc/29/86/84/439298684.db2.gz GZPNKUIBPOQFOZ-UHFFFAOYSA-N 1 2 332.385 0.560 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CONC(=O)Cc2ccc(C)cc2)CC1 ZINC000490778807 439298928 /nfs/dbraw/zinc/29/89/28/439298928.db2.gz LQBUGWZRRPHAIE-UHFFFAOYSA-N 1 2 329.400 0.363 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)c3ccc(F)cc3C2=O)CC1 ZINC000490800547 439300580 /nfs/dbraw/zinc/30/05/80/439300580.db2.gz UMRBIVFOPBQHMT-UHFFFAOYSA-N 1 2 329.331 0.199 20 30 ECEDLO C#CC[N@@H+](C[C@@H](O)COc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000490852713 439305162 /nfs/dbraw/zinc/30/51/62/439305162.db2.gz MLVDXVCWQCVTGM-ZIAGYGMSSA-N 1 2 341.404 0.688 20 30 ECEDLO C#CC[N@H+](C[C@@H](O)COc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000490852713 439305167 /nfs/dbraw/zinc/30/51/67/439305167.db2.gz MLVDXVCWQCVTGM-ZIAGYGMSSA-N 1 2 341.404 0.688 20 30 ECEDLO C#CCN(C(=O)C[N@@H+](C)[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 ZINC000490891428 439306587 /nfs/dbraw/zinc/30/65/87/439306587.db2.gz FTDBAXFLGIEQPM-OLZOCXBDSA-N 1 2 330.475 0.073 20 30 ECEDLO C#CCN(C(=O)C[N@H+](C)[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 ZINC000490891428 439306592 /nfs/dbraw/zinc/30/65/92/439306592.db2.gz FTDBAXFLGIEQPM-OLZOCXBDSA-N 1 2 330.475 0.073 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC(=O)C[C@@H]2C)CC1 ZINC000490873336 439307172 /nfs/dbraw/zinc/30/71/72/439307172.db2.gz ILXWBFGEZCSXHA-GOEBONIOSA-N 1 2 333.432 0.275 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC(=O)C[C@@H]2C)CC1 ZINC000490873336 439307176 /nfs/dbraw/zinc/30/71/76/439307176.db2.gz ILXWBFGEZCSXHA-GOEBONIOSA-N 1 2 333.432 0.275 20 30 ECEDLO C#CCN(CC#CC)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000490899922 439309076 /nfs/dbraw/zinc/30/90/76/439309076.db2.gz RGHAYPNCKODFCF-UHFFFAOYSA-N 1 2 340.431 0.267 20 30 ECEDLO C#CCNC(=O)C1CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000491154324 439340078 /nfs/dbraw/zinc/34/00/78/439340078.db2.gz IHARPJHRDFWYJN-UHFFFAOYSA-N 1 2 348.447 0.022 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000491164801 439341127 /nfs/dbraw/zinc/34/11/27/439341127.db2.gz FTJTYGFUNQKJNX-GVDBMIGSSA-N 1 2 348.491 0.437 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@@H](C)C(=O)NC2CCCCC2)CC1 ZINC000491165321 439341263 /nfs/dbraw/zinc/34/12/63/439341263.db2.gz JWNYVHPFEAUTBT-HNNXBMFYSA-N 1 2 334.464 0.191 20 30 ECEDLO COc1cc(OCC(=O)N[C@@](C)(C#N)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000593155209 439349059 /nfs/dbraw/zinc/34/90/59/439349059.db2.gz AQODPMJDBQLJTL-HNNXBMFYSA-N 1 2 336.348 0.942 20 30 ECEDLO C#CCn1ccc(CN(CCOC)C(=O)NCC[NH+]2CCOCC2)n1 ZINC000491263598 439358398 /nfs/dbraw/zinc/35/83/98/439358398.db2.gz AYMDCLXAPYDGTB-UHFFFAOYSA-N 1 2 349.435 0.007 20 30 ECEDLO C#CCN(C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C1CC1 ZINC000491349678 439370191 /nfs/dbraw/zinc/37/01/91/439370191.db2.gz JODOZENQXGBEGC-CQSZACIVSA-N 1 2 329.404 0.718 20 30 ECEDLO Cn1cc[nH+]c1[C@H](Cc1ccccc1)NC(=O)NCC(=O)NCC#N ZINC000593409573 439379166 /nfs/dbraw/zinc/37/91/66/439379166.db2.gz ASVHDPCFWJWCEY-AWEZNQCLSA-N 1 2 340.387 0.643 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)CC1 ZINC000491473178 439390280 /nfs/dbraw/zinc/39/02/80/439390280.db2.gz BKYCOEAKNFOLAX-HNNXBMFYSA-N 1 2 335.839 0.561 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)CC1 ZINC000491473178 439390285 /nfs/dbraw/zinc/39/02/85/439390285.db2.gz BKYCOEAKNFOLAX-HNNXBMFYSA-N 1 2 335.839 0.561 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2nc(C)cc(C(F)(F)F)c2=O)CC1 ZINC000491547019 439403584 /nfs/dbraw/zinc/40/35/84/439403584.db2.gz YCCOTRWPNDDWBC-UHFFFAOYSA-N 1 2 342.321 0.348 20 30 ECEDLO N#Cc1sccc1S(=O)(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000593557928 439405223 /nfs/dbraw/zinc/40/52/23/439405223.db2.gz GRCODIZISCGVPF-GFCCVEGCSA-N 1 2 341.458 0.963 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cc(-c3ccccn3)ccc2=O)CC1 ZINC000491452315 439385844 /nfs/dbraw/zinc/38/58/44/439385844.db2.gz KPXFMJYOTFRJOP-UHFFFAOYSA-N 1 2 336.395 0.688 20 30 ECEDLO N#CCC(=O)N1CC[NH+](C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000570056368 439388553 /nfs/dbraw/zinc/38/85/53/439388553.db2.gz FTQOAHAOLRDWRX-AWEZNQCLSA-N 1 2 342.399 0.965 20 30 ECEDLO C#CCN1C(=O)C[C@H]([NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)C1=O ZINC000491463851 439389198 /nfs/dbraw/zinc/38/91/98/439389198.db2.gz PHCHFOBGEAZWRH-FZMZJTMJSA-N 1 2 332.322 0.772 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+](CCOC)Cc2cccnc2)CC1 ZINC000491621830 439412161 /nfs/dbraw/zinc/41/21/61/439412161.db2.gz GBTXVEBHBIDGNL-UHFFFAOYSA-N 1 2 330.432 0.307 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+](CCOC)Cc2cccnc2)CC1 ZINC000491621830 439412164 /nfs/dbraw/zinc/41/21/64/439412164.db2.gz GBTXVEBHBIDGNL-UHFFFAOYSA-N 1 2 330.432 0.307 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CSc1nnnn1C1CCCC1 ZINC000583059896 439416519 /nfs/dbraw/zinc/41/65/19/439416519.db2.gz GYSIIEATGZKYHS-CQSZACIVSA-N 1 2 337.453 0.840 20 30 ECEDLO C#C[C@H](C)N(C)C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000491806759 439455409 /nfs/dbraw/zinc/45/54/09/439455409.db2.gz RPRFWSDITUQUKP-ZDUSSCGKSA-N 1 2 343.431 0.946 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000491671068 439423433 /nfs/dbraw/zinc/42/34/33/439423433.db2.gz PWIOLKHFEUNLBI-UHFFFAOYSA-N 1 2 342.443 0.255 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000491671068 439423438 /nfs/dbraw/zinc/42/34/38/439423438.db2.gz PWIOLKHFEUNLBI-UHFFFAOYSA-N 1 2 342.443 0.255 20 30 ECEDLO C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCn3cc[nH+]c3C2)n1 ZINC000491668575 439424426 /nfs/dbraw/zinc/42/44/26/439424426.db2.gz ZBDQPQDBHGIKLG-HNNXBMFYSA-N 1 2 341.415 0.950 20 30 ECEDLO C#C[C@@H](CC)NC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000491726374 439434863 /nfs/dbraw/zinc/43/48/63/439434863.db2.gz GEBHLIOIGAIMOB-HNNXBMFYSA-N 1 2 343.431 0.994 20 30 ECEDLO C#CCN(C(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1)C1CCCC1 ZINC000491718117 439435129 /nfs/dbraw/zinc/43/51/29/439435129.db2.gz SPKXVRKTOKUZAQ-UHFFFAOYSA-N 1 2 349.475 0.960 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCOc3c(F)cccc3C2)CC1 ZINC000491747040 439442050 /nfs/dbraw/zinc/44/20/50/439442050.db2.gz WBMJZUJBVSFSKB-UHFFFAOYSA-N 1 2 331.391 0.798 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)COc2cnn(C)c2C(F)(F)F)CC1 ZINC000491763682 439443601 /nfs/dbraw/zinc/44/36/01/439443601.db2.gz ASRQBFYPLMMVKW-UHFFFAOYSA-N 1 2 330.310 0.595 20 30 ECEDLO C#C[C@H](C)[N@@H+](C)CC(=O)NN1C(=O)N[C@@](CC)(c2ccccc2)C1=O ZINC000491779263 439449225 /nfs/dbraw/zinc/44/92/25/439449225.db2.gz ISWJTKCSAMQLCG-UGSOOPFHSA-N 1 2 342.399 0.828 20 30 ECEDLO C#C[C@H](C)[N@H+](C)CC(=O)NN1C(=O)N[C@@](CC)(c2ccccc2)C1=O ZINC000491779263 439449230 /nfs/dbraw/zinc/44/92/30/439449230.db2.gz ISWJTKCSAMQLCG-UGSOOPFHSA-N 1 2 342.399 0.828 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc[nH]c2CCC)CC1 ZINC000491567132 439407801 /nfs/dbraw/zinc/40/78/01/439407801.db2.gz JNYDRLVNKYUUHP-UHFFFAOYSA-N 1 2 330.432 0.865 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc[nH]c2CCC)CC1 ZINC000491567132 439407804 /nfs/dbraw/zinc/40/78/04/439407804.db2.gz JNYDRLVNKYUUHP-UHFFFAOYSA-N 1 2 330.432 0.865 20 30 ECEDLO CCN(CCC#N)C(=O)CN1CCc2[nH+]c[nH]c2[C@@H]1c1ccnn1C ZINC000599444252 439473029 /nfs/dbraw/zinc/47/30/29/439473029.db2.gz HTVCKNVRTALGOX-KRWDZBQOSA-N 1 2 341.419 0.853 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000530639308 439502002 /nfs/dbraw/zinc/50/20/02/439502002.db2.gz DVXLOCDHYBZTOI-CQSZACIVSA-N 1 2 334.420 0.072 20 30 ECEDLO C=CC[N@@H+](C[C@H](O)COC[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000533388264 439525205 /nfs/dbraw/zinc/52/52/05/439525205.db2.gz PSYKEPPOPDFEFE-ILXRZTDVSA-N 1 2 333.450 0.218 20 30 ECEDLO C=CC[N@H+](C[C@H](O)COC[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000533388264 439525209 /nfs/dbraw/zinc/52/52/09/439525209.db2.gz PSYKEPPOPDFEFE-ILXRZTDVSA-N 1 2 333.450 0.218 20 30 ECEDLO CN(C)C[C@@](C)(C#N)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000571734511 439525705 /nfs/dbraw/zinc/52/57/05/439525705.db2.gz MUOVUORPBPGMLL-FUHWJXTLSA-N 1 2 330.432 0.847 20 30 ECEDLO CN(C)C[C@@](C)(C#N)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000571734511 439525709 /nfs/dbraw/zinc/52/57/09/439525709.db2.gz MUOVUORPBPGMLL-FUHWJXTLSA-N 1 2 330.432 0.847 20 30 ECEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000594420268 439558543 /nfs/dbraw/zinc/55/85/43/439558543.db2.gz KOGDNJZKJHWVPB-RHSMWYFYSA-N 1 2 331.416 0.546 20 30 ECEDLO CC[C@H](C(=O)N1CCN(C(=O)CC#N)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000572176489 439564135 /nfs/dbraw/zinc/56/41/35/439564135.db2.gz BQNCHXHIBNPWPJ-HUUCEWRRSA-N 1 2 336.436 0.460 20 30 ECEDLO CC[C@H](C(=O)N1CCN(C(=O)CC#N)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000572176489 439564139 /nfs/dbraw/zinc/56/41/39/439564139.db2.gz BQNCHXHIBNPWPJ-HUUCEWRRSA-N 1 2 336.436 0.460 20 30 ECEDLO CCN1C(=O)CO[C@H](C(=O)NCC(C)(C)CC#N)[C@H]1c1[nH+]ccn1C ZINC000600001696 439592666 /nfs/dbraw/zinc/59/26/66/439592666.db2.gz PWXRHMJMZXECAP-KBPBESRZSA-N 1 2 347.419 0.765 20 30 ECEDLO C[N@H+](CC(=O)NCc1ccccc1)CC(=O)N(CCC#N)CCC#N ZINC000610003655 439595245 /nfs/dbraw/zinc/59/52/45/439595245.db2.gz GPFKBGXBWQCYPJ-UHFFFAOYSA-N 1 2 341.415 0.891 20 30 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N#Cc1ccc(C[NH+]2CCN(c3nccnc3-c3nn[nH]n3)CC2)cc1 ZINC000737713478 578519122 /nfs/dbraw/zinc/51/91/22/578519122.db2.gz YBEULXBXSJSWST-UHFFFAOYSA-N 1 2 347.386 0.851 20 30 ECEDLO Cn1cc(C[NH+]2CCN(Cn3nc(CC#N)n(C)c3=S)CC2)cn1 ZINC000794625672 578596091 /nfs/dbraw/zinc/59/60/91/578596091.db2.gz JPJMUEXDMRWSDK-UHFFFAOYSA-N 1 2 346.464 0.526 20 30 ECEDLO C#CCC[C@@H](O)CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000799217735 578661084 /nfs/dbraw/zinc/66/10/84/578661084.db2.gz QDTJGMPJNNFWGJ-CQSZACIVSA-N 1 2 335.408 0.111 20 30 ECEDLO C=CCn1c(=O)n(CC=C)c(=O)n(C[NH+]2CCC(CC#N)CC2)c1=O ZINC000781571571 578711677 /nfs/dbraw/zinc/71/16/77/578711677.db2.gz KJOJZXQOWINAQM-UHFFFAOYSA-N 1 2 345.403 0.127 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)NCc1ccc[nH+]c1N(C)C)[C@@H]1CCCO1 ZINC000787632622 578811635 /nfs/dbraw/zinc/81/16/35/578811635.db2.gz DZGSAVBCEDFRGF-KGLIPLIRSA-N 1 2 330.388 0.061 20 30 ECEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCNc1ncccc1C#N ZINC000788904874 578845060 /nfs/dbraw/zinc/84/50/60/578845060.db2.gz KRYLYTPEAXDSGT-AWEZNQCLSA-N 1 2 346.435 0.727 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CC(=O)NCCO)cc1 ZINC000769273293 579141913 /nfs/dbraw/zinc/14/19/13/579141913.db2.gz VCSXSCRIBNFKRA-INIZCTEOSA-N 1 2 329.400 0.374 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CC(=O)NCCO)cc1 ZINC000769273293 579141915 /nfs/dbraw/zinc/14/19/15/579141915.db2.gz VCSXSCRIBNFKRA-INIZCTEOSA-N 1 2 329.400 0.374 20 30 ECEDLO C#CCC[NH+]1CCN(S(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)OC)CC1 ZINC000772480677 579207581 /nfs/dbraw/zinc/20/75/81/579207581.db2.gz YUPQKHMVVHQVIM-HUUCEWRRSA-N 1 2 342.461 0.689 20 30 ECEDLO C#C[C@@H]([NH2+]Cc1nnc2n1c1ccsc1c(=O)n2C)[C@@H]1CCCO1 ZINC000775791387 579271357 /nfs/dbraw/zinc/27/13/57/579271357.db2.gz UXHJFDWKFWNARO-PWSUYJOCSA-N 1 2 343.412 0.913 20 30 ECEDLO CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)CC(C)(C)C#N)CC1 ZINC000777817699 579303184 /nfs/dbraw/zinc/30/31/84/579303184.db2.gz RWAHWSRQQIPBGZ-UHFFFAOYSA-N 1 2 330.454 0.010 20 30 ECEDLO CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)CC(C)(C)C#N)CC1 ZINC000777817699 579303186 /nfs/dbraw/zinc/30/31/86/579303186.db2.gz RWAHWSRQQIPBGZ-UHFFFAOYSA-N 1 2 330.454 0.010 20 30 ECEDLO C[C@H](C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)S(C)(=O)=O ZINC000779417189 579315789 /nfs/dbraw/zinc/31/57/89/579315789.db2.gz PQQQCPQYSOOPNM-IJLUTSLNSA-N 1 2 331.438 0.768 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000761023581 579519455 /nfs/dbraw/zinc/51/94/55/579519455.db2.gz IOUMFLWCKGVMTG-UHFFFAOYSA-N 1 2 338.389 0.180 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000739815301 579715907 /nfs/dbraw/zinc/71/59/07/579715907.db2.gz UANIXFZRLKTBCB-ZBFHGGJFSA-N 1 2 339.395 0.928 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000739815301 579715908 /nfs/dbraw/zinc/71/59/08/579715908.db2.gz UANIXFZRLKTBCB-ZBFHGGJFSA-N 1 2 339.395 0.928 20 30 ECEDLO C[S@@](=O)CC[NH+]1CCN(CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000746473494 579840400 /nfs/dbraw/zinc/84/04/00/579840400.db2.gz JHQOYOHPNZDTSK-XMMPIXPASA-N 1 2 348.472 0.171 20 30 ECEDLO C#CC1(O)CC[NH+](Cc2c(I)cnn2C)CC1 ZINC000895385475 586180258 /nfs/dbraw/zinc/18/02/58/586180258.db2.gz DHGLITNEYIPVKG-UHFFFAOYSA-N 1 2 345.184 0.985 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)NC(=O)C3)C1 ZINC000891601038 586180308 /nfs/dbraw/zinc/18/03/08/586180308.db2.gz FEHLQKGWMGTKRT-CQSZACIVSA-N 1 2 340.383 0.334 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)NC(=O)C3)C1 ZINC000891601038 586180309 /nfs/dbraw/zinc/18/03/09/586180309.db2.gz FEHLQKGWMGTKRT-CQSZACIVSA-N 1 2 340.383 0.334 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC)c(F)c2)C1 ZINC000891605767 586181545 /nfs/dbraw/zinc/18/15/45/586181545.db2.gz HTYLPLGSKPGMBG-ZDUSSCGKSA-N 1 2 333.363 0.987 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC)c(F)c2)C1 ZINC000891605767 586181546 /nfs/dbraw/zinc/18/15/46/586181546.db2.gz HTYLPLGSKPGMBG-ZDUSSCGKSA-N 1 2 333.363 0.987 20 30 ECEDLO C#CC1(O)CN(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000891639264 586184060 /nfs/dbraw/zinc/18/40/60/586184060.db2.gz GKYYCYMZXZUBKR-INIZCTEOSA-N 1 2 329.400 0.449 20 30 ECEDLO C#CC1(O)CN(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2OC)C1 ZINC000891675247 586187738 /nfs/dbraw/zinc/18/77/38/586187738.db2.gz QEARDTJXSDKUEQ-OAHLLOKOSA-N 1 2 340.383 0.908 20 30 ECEDLO Cc1nn(C)c(N2CC[NH+](Cc3cnc4n3CCOC4)CC2)c1C#N ZINC000893949502 586368093 /nfs/dbraw/zinc/36/80/93/586368093.db2.gz QCQGQAMUIWXJGU-UHFFFAOYSA-N 1 2 341.419 0.649 20 30 ECEDLO CC[NH2+]Cc1noc(CCC/N=C2/NS(=O)(=O)c3ccccc32)n1 ZINC000843141321 589052056 /nfs/dbraw/zinc/05/20/56/589052056.db2.gz NDLBBEHCUXVHQS-UHFFFAOYSA-N 1 2 349.416 0.850 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2ccc(-c3ccccc3)nc2=O)CC1 ZINC000902492210 586739477 /nfs/dbraw/zinc/73/94/77/586739477.db2.gz ASAVFZDMHNNCLZ-UHFFFAOYSA-N 1 2 336.395 0.688 20 30 ECEDLO C[C@H](NS(=O)(=O)c1cc(F)cc(C#N)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000866989116 586819359 /nfs/dbraw/zinc/81/93/59/586819359.db2.gz VMMGWUJOJVVUDW-HZMBPMFUSA-N 1 2 327.381 0.695 20 30 ECEDLO C[C@H](NS(=O)(=O)c1cc(F)cc(C#N)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000866989116 586819360 /nfs/dbraw/zinc/81/93/60/586819360.db2.gz VMMGWUJOJVVUDW-HZMBPMFUSA-N 1 2 327.381 0.695 20 30 ECEDLO COCC[C@](C)(C#N)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000905517972 586899294 /nfs/dbraw/zinc/89/92/94/586899294.db2.gz HWAKDHLVXKFOIK-IJEWVQPXSA-N 1 2 325.409 0.301 20 30 ECEDLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000805473203 586910175 /nfs/dbraw/zinc/91/01/75/586910175.db2.gz STGIGWCUOZOZDK-DVOMOZLQSA-N 1 2 325.409 0.693 20 30 ECEDLO CC[N@H+]1CCO[C@H](C(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000805473203 586910178 /nfs/dbraw/zinc/91/01/78/586910178.db2.gz STGIGWCUOZOZDK-DVOMOZLQSA-N 1 2 325.409 0.693 20 30 ECEDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccsc2C#N)CC1 ZINC000906634748 586962795 /nfs/dbraw/zinc/96/27/95/586962795.db2.gz BXMKAQQSDBVWGD-UHFFFAOYSA-N 1 2 341.458 0.859 20 30 ECEDLO C=CCN1CCN(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)C1=O ZINC000840000661 587059817 /nfs/dbraw/zinc/05/98/17/587059817.db2.gz RHCYACPAPPDNOD-UHFFFAOYSA-N 1 2 343.431 0.789 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)NCc1[nH+]cc(C)c(OC)c1C)[C@H]1CCCO1 ZINC000803670008 587065919 /nfs/dbraw/zinc/06/59/19/587065919.db2.gz IMCUBUCDWCYGCD-UKRRQHHQSA-N 1 2 345.399 0.620 20 30 ECEDLO C[S@](=O)CC[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000804497755 587086379 /nfs/dbraw/zinc/08/63/79/587086379.db2.gz HZZVNWFFNHGVKV-QHCPKHFHSA-N 1 2 337.405 0.549 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)[C@@H]1CCCO1 ZINC000809310083 587174693 /nfs/dbraw/zinc/17/46/93/587174693.db2.gz ASEJAQGPIUYOEN-KKUMJFAQSA-N 1 2 330.388 0.344 20 30 ECEDLO C#C[C@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000820489533 587537673 /nfs/dbraw/zinc/53/76/73/587537673.db2.gz GZYULXDOFKJJQZ-IRXDYDNUSA-N 1 2 349.406 0.835 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](CN(C)C(=O)[O-])C2)CC1 ZINC000823456911 587721439 /nfs/dbraw/zinc/72/14/39/587721439.db2.gz SACJIGXTQXMJIS-HNNXBMFYSA-N 1 2 336.436 0.086 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](CN(C)C(=O)[O-])C2)CC1 ZINC000823456911 587721440 /nfs/dbraw/zinc/72/14/40/587721440.db2.gz SACJIGXTQXMJIS-HNNXBMFYSA-N 1 2 336.436 0.086 20 30 ECEDLO O=C(C#Cc1cccs1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000825321538 587931984 /nfs/dbraw/zinc/93/19/84/587931984.db2.gz GVIYQHMVTGGYNX-UHFFFAOYSA-N 1 2 341.440 0.828 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](c2ccccc2)[C@H](C)C(=O)[O-])CC1 ZINC000825619785 587953410 /nfs/dbraw/zinc/95/34/10/587953410.db2.gz OTHXWFVCKWBDNC-YJBOKZPZSA-N 1 2 343.427 0.815 20 30 ECEDLO C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCn3cc[nH+]c32)c1 ZINC000833305737 588534214 /nfs/dbraw/zinc/53/42/14/588534214.db2.gz WTVWBNQNBDDHPY-AWEZNQCLSA-N 1 2 344.396 0.669 20 30 ECEDLO CC(C)(NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1[nH]cc[nH+]1 ZINC000846243655 589192994 /nfs/dbraw/zinc/19/29/94/589192994.db2.gz GIEJQCAYYMURFG-UHFFFAOYSA-N 1 2 347.400 0.500 20 30 ECEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CCCN2CCOC2=O)c1=O ZINC000849898597 589353105 /nfs/dbraw/zinc/35/31/05/589353105.db2.gz KIIXMJPRCZFWQF-UHFFFAOYSA-N 1 2 346.387 0.394 20 30 ECEDLO C#CCOCC[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000851722805 589418455 /nfs/dbraw/zinc/41/84/55/589418455.db2.gz QNKZUFUVGXDWRG-UHFFFAOYSA-N 1 2 344.383 0.921 20 30 ECEDLO C#CCOCC[NH+]1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000851824461 589427025 /nfs/dbraw/zinc/42/70/25/589427025.db2.gz HNUABOYJWJBNFJ-UHFFFAOYSA-N 1 2 348.428 0.519 20 30 ECEDLO C#C[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)C1CCOCC1 ZINC000851828566 589427398 /nfs/dbraw/zinc/42/73/98/589427398.db2.gz YWNCEKQASZBYIT-HNNXBMFYSA-N 1 2 330.450 0.057 20 30 ECEDLO C#CCn1ccc(C[N@@H+](CC)[C@H]2CCCN(CCC(=O)OC)C2=O)n1 ZINC000851996286 589436917 /nfs/dbraw/zinc/43/69/17/589436917.db2.gz MBXQVJWUYFNFQI-INIZCTEOSA-N 1 2 346.431 0.892 20 30 ECEDLO C#CCn1ccc(C[N@H+](CC)[C@H]2CCCN(CCC(=O)OC)C2=O)n1 ZINC000851996286 589436918 /nfs/dbraw/zinc/43/69/18/589436918.db2.gz MBXQVJWUYFNFQI-INIZCTEOSA-N 1 2 346.431 0.892 20 30 ECEDLO C[C@H]1CCc2ccccc2N1C(=O)CO[NH+]=C(N)CN1CCOCC1 ZINC000111181963 589538245 /nfs/dbraw/zinc/53/82/45/589538245.db2.gz IYWSHNZINJXHOB-AWEZNQCLSA-N 1 2 346.431 0.975 20 30 ECEDLO O=S1(=O)Cc2ccccc2C(=NNCCC[NH+]2CCOCC2)C1 ZINC000853343118 589541361 /nfs/dbraw/zinc/54/13/61/589541361.db2.gz UWVMRKQAVNMOJK-UHFFFAOYSA-N 1 2 337.445 0.631 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN=[S@@](=O)(c2ccccc2)N(C)C)CC1 ZINC000853722027 589556668 /nfs/dbraw/zinc/55/66/68/589556668.db2.gz BAZNWKSZKZVUOV-DEOSSOPVSA-N 1 2 348.472 0.768 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2C(=O)c3ccc(C)cc3C2=O)CC1 ZINC000112920242 589616903 /nfs/dbraw/zinc/61/69/03/589616903.db2.gz BRAXSEQFANJFOE-UHFFFAOYSA-N 1 2 325.368 0.368 20 30 ECEDLO C#CC[NH+]1CCC(C(=O)NCCS(=O)(=O)CC(F)(F)F)CC1 ZINC000855574883 589637076 /nfs/dbraw/zinc/63/70/76/589637076.db2.gz ABUCAKJENLUCTO-UHFFFAOYSA-N 1 2 340.367 0.425 20 30 ECEDLO C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1[nH+]ccn1C ZINC000856277143 589658661 /nfs/dbraw/zinc/65/86/61/589658661.db2.gz VVHUIYFIPLKWBO-JTQLQIEISA-N 1 2 347.400 0.336 20 30 ECEDLO N#CCC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+](CC(F)F)C2)CC1 ZINC000866656469 589755868 /nfs/dbraw/zinc/75/58/68/589755868.db2.gz KFEBLUBEGQLTIP-LBPRGKRZSA-N 1 2 328.363 0.548 20 30 ECEDLO N#CCC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+](CC(F)F)C2)CC1 ZINC000866656469 589755871 /nfs/dbraw/zinc/75/58/71/589755871.db2.gz KFEBLUBEGQLTIP-LBPRGKRZSA-N 1 2 328.363 0.548 20 30 ECEDLO CC(C)(C(=O)N(CCO)CC[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000860270799 589756328 /nfs/dbraw/zinc/75/63/28/589756328.db2.gz GLVCSTOJVYALGT-UHFFFAOYSA-N 1 2 345.443 0.989 20 30 ECEDLO C=CCCC(=O)COC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C ZINC000860422298 589770577 /nfs/dbraw/zinc/77/05/77/589770577.db2.gz OTXHCDTWGCJEBE-GJZGRUSLSA-N 1 2 349.387 0.787 20 30 ECEDLO C#Cc1cccc(NC(=O)CNC(=O)NC[C@H]2COCC[N@H+]2C)c1 ZINC000858843591 589778198 /nfs/dbraw/zinc/77/81/98/589778198.db2.gz LMBCIRVAWJUHBZ-HNNXBMFYSA-N 1 2 330.388 0.236 20 30 ECEDLO C#Cc1cccc(NC(=O)CNC(=O)NC[C@H]2COCC[N@@H+]2C)c1 ZINC000858843591 589778200 /nfs/dbraw/zinc/77/82/00/589778200.db2.gz LMBCIRVAWJUHBZ-HNNXBMFYSA-N 1 2 330.388 0.236 20 30 ECEDLO C#CCCOC(=O)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000859229008 589809486 /nfs/dbraw/zinc/80/94/86/589809486.db2.gz WALLMTHGNUCBMF-GOSISDBHSA-N 1 2 332.400 0.999 20 30 ECEDLO C#CCCOC(=O)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000859229008 589809488 /nfs/dbraw/zinc/80/94/88/589809488.db2.gz WALLMTHGNUCBMF-GOSISDBHSA-N 1 2 332.400 0.999 20 30 ECEDLO N#Cc1ccc2c(c1)C[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)C2 ZINC000867861872 589855301 /nfs/dbraw/zinc/85/53/01/589855301.db2.gz JYEIIJZUHIEHIH-KRWDZBQOSA-N 1 2 349.456 0.667 20 30 ECEDLO N#Cc1ncn(-c2ccccc2NC(=O)/C=C/C[NH+]2CCOCC2)n1 ZINC000868415855 589904116 /nfs/dbraw/zinc/90/41/16/589904116.db2.gz QSWPVNOMLVDKRW-ZZXKWVIFSA-N 1 2 338.371 0.966 20 30 ECEDLO O=C1CN=C(N[NH+]=Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N1 ZINC000863174403 589991576 /nfs/dbraw/zinc/99/15/76/589991576.db2.gz KLVJUZDISDVATH-UHFFFAOYSA-N 1 2 330.348 0.994 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2c(=O)cnc3ccc(Cl)cc32)CC1 ZINC000863349881 590007244 /nfs/dbraw/zinc/00/72/44/590007244.db2.gz LAMZUANCSQAQKC-UHFFFAOYSA-N 1 2 344.802 0.827 20 30 ECEDLO C#CC[C@H](COC)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000863805826 590039567 /nfs/dbraw/zinc/03/95/67/590039567.db2.gz VTCJREGRUCJSBR-UKRRQHHQSA-N 1 2 334.420 0.638 20 30 ECEDLO C#CC[C@H](COC)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000863805826 590039570 /nfs/dbraw/zinc/03/95/70/590039570.db2.gz VTCJREGRUCJSBR-UKRRQHHQSA-N 1 2 334.420 0.638 20 30 ECEDLO N#C[C@]1(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCCOC1 ZINC000864981122 590119341 /nfs/dbraw/zinc/11/93/41/590119341.db2.gz DLDWILVRYJLFTP-HZPDHXFCSA-N 1 2 339.461 0.631 20 30 ECEDLO COCCn1ncc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1C ZINC000865070889 590123239 /nfs/dbraw/zinc/12/32/39/590123239.db2.gz YEPJXVMPSMUXJX-UHFFFAOYSA-N 1 2 349.435 0.526 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2cn(CC(=O)OC(C)(C)C)nn2)CC1 ZINC000865084768 590123822 /nfs/dbraw/zinc/12/38/22/590123822.db2.gz HDOSETACHVUTPN-UHFFFAOYSA-N 1 2 347.419 0.401 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000875026289 590263665 /nfs/dbraw/zinc/26/36/65/590263665.db2.gz NRSTWUZBQKYZLO-GFCCVEGCSA-N 1 2 348.790 0.758 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000875596366 590311933 /nfs/dbraw/zinc/31/19/33/590311933.db2.gz LLIKIMOYLUUGNK-KGLIPLIRSA-N 1 2 332.404 0.281 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000875602682 590313795 /nfs/dbraw/zinc/31/37/95/590313795.db2.gz JNYDJOKWRJACJM-KRWDZBQOSA-N 1 2 343.427 0.485 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@]2(CC(C(=O)OC)=NO2)C1 ZINC000879484272 590314684 /nfs/dbraw/zinc/31/46/84/590314684.db2.gz USXYXCISPIAISI-WBMJQRKESA-N 1 2 336.392 0.388 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@]2(CC(C(=O)OC)=NO2)C1 ZINC000879484272 590314687 /nfs/dbraw/zinc/31/46/87/590314687.db2.gz USXYXCISPIAISI-WBMJQRKESA-N 1 2 336.392 0.388 20 30 ECEDLO N#Cc1cc(F)ccc1N1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000879589656 590326094 /nfs/dbraw/zinc/32/60/94/590326094.db2.gz WXWVBCZLVMFIAJ-UHFFFAOYSA-N 1 2 330.363 0.968 20 30 ECEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000879717518 590337405 /nfs/dbraw/zinc/33/74/05/590337405.db2.gz AAAODFIWRZJVGU-GXTWGEPZSA-N 1 2 348.428 0.928 20 30 ECEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000879717518 590337408 /nfs/dbraw/zinc/33/74/08/590337408.db2.gz AAAODFIWRZJVGU-GXTWGEPZSA-N 1 2 348.428 0.928 20 30 ECEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC(=O)NCC23COC3)cc1 ZINC000880398270 590389519 /nfs/dbraw/zinc/38/95/19/590389519.db2.gz CBLSSPDOURMXBF-OAHLLOKOSA-N 1 2 345.399 0.083 20 30 ECEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC(=O)NCC23COC3)cc1 ZINC000880398270 590389521 /nfs/dbraw/zinc/38/95/21/590389521.db2.gz CBLSSPDOURMXBF-OAHLLOKOSA-N 1 2 345.399 0.083 20 30 ECEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(CC(=O)NCCC#N)CC2)C1 ZINC000024541027 590447071 /nfs/dbraw/zinc/44/70/71/590447071.db2.gz GCUOLYULNIIWBO-HZPDHXFCSA-N 1 2 349.479 0.138 20 30 ECEDLO C#CC[C@@H](CO)NC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000878132557 590500861 /nfs/dbraw/zinc/50/08/61/590500861.db2.gz YXMXZXDMHFLCLL-AWEZNQCLSA-N 1 2 344.415 0.580 20 30 ECEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000878274978 590512047 /nfs/dbraw/zinc/51/20/47/590512047.db2.gz XXCBSJWQVUBLJG-QWHCGFSZSA-N 1 2 330.392 0.753 20 30 ECEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000878274978 590512049 /nfs/dbraw/zinc/51/20/49/590512049.db2.gz XXCBSJWQVUBLJG-QWHCGFSZSA-N 1 2 330.392 0.753 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cncc3[nH]ccc32)CC1 ZINC000878737993 590539211 /nfs/dbraw/zinc/53/92/11/590539211.db2.gz WDHMDVXSFAOAIN-UHFFFAOYSA-N 1 2 339.399 0.460 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cncc3[nH]ccc32)CC1 ZINC000878737993 590539213 /nfs/dbraw/zinc/53/92/13/590539213.db2.gz WDHMDVXSFAOAIN-UHFFFAOYSA-N 1 2 339.399 0.460 20 30 ECEDLO C#CCCCOc1ccc[nH+]c1NCc1nnc2n1CCNC2=O ZINC000882882415 590595310 /nfs/dbraw/zinc/59/53/10/590595310.db2.gz KAGUKHMHMRTBJE-UHFFFAOYSA-N 1 2 326.360 0.821 20 30 ECEDLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(CCC#N)cc1 ZINC000885006840 590668011 /nfs/dbraw/zinc/66/80/11/590668011.db2.gz CUFPLVYWPFBTLI-OAHLLOKOSA-N 1 2 336.461 0.667 20 30 ECEDLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(CCC#N)cc1 ZINC000885006840 590668014 /nfs/dbraw/zinc/66/80/14/590668014.db2.gz CUFPLVYWPFBTLI-OAHLLOKOSA-N 1 2 336.461 0.667 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)C[C@H](OC)C2CCOCC2)C1 ZINC000885508308 590729347 /nfs/dbraw/zinc/72/93/47/590729347.db2.gz FHEFOWMNGMUKTR-CVEARBPZSA-N 1 2 344.477 0.445 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)C[C@H](OC)C2CCOCC2)C1 ZINC000885508308 590729349 /nfs/dbraw/zinc/72/93/49/590729349.db2.gz FHEFOWMNGMUKTR-CVEARBPZSA-N 1 2 344.477 0.445 20 30 ECEDLO NC(C[NH+]1CCSCC1)=NOCC(=O)N1CCc2ccccc21 ZINC000136082083 590744235 /nfs/dbraw/zinc/74/42/35/590744235.db2.gz WOVXRHVVPDWDPZ-UHFFFAOYSA-N 1 2 334.445 0.913 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(c2cccc(OC)c2)CC1 ZINC000884176705 590763124 /nfs/dbraw/zinc/76/31/24/590763124.db2.gz NEDMGLTYRWLEKP-INIZCTEOSA-N 1 2 347.415 0.790 20 30 ECEDLO C=CCOC(=O)[C@@H](N)CC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000884182426 590764797 /nfs/dbraw/zinc/76/47/97/590764797.db2.gz IPCJBCMGRHNICE-INIZCTEOSA-N 1 2 342.399 0.994 20 30 ECEDLO COCCOCC[NH+]1CCN(C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886268896 590824177 /nfs/dbraw/zinc/82/41/77/590824177.db2.gz FCYURZRJZHCPLX-MRXNPFEDSA-N 1 2 325.453 0.712 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](C(=O)OC)[C@H]2CCC[C@H]21 ZINC000884440903 590829010 /nfs/dbraw/zinc/82/90/10/590829010.db2.gz URCQRILIEWYNMB-ZOBORPQBSA-N 1 2 338.404 0.623 20 30 ECEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCCn2nncc2C1 ZINC000886467032 590851747 /nfs/dbraw/zinc/85/17/47/590851747.db2.gz RVLFHBZFYOJOIA-UHFFFAOYSA-N 1 2 335.367 0.783 20 30 ECEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCCn2nncc2C1 ZINC000886467032 590851750 /nfs/dbraw/zinc/85/17/50/590851750.db2.gz RVLFHBZFYOJOIA-UHFFFAOYSA-N 1 2 335.367 0.783 20 30 ECEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2nc(C)cc(=O)[nH]2)CC1 ZINC000886652838 590868533 /nfs/dbraw/zinc/86/85/33/590868533.db2.gz IOCJMKSPNHZKRL-UHFFFAOYSA-N 1 2 331.420 0.813 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)C1 ZINC000889319296 590974436 /nfs/dbraw/zinc/97/44/36/590974436.db2.gz XXWQDBDCRQLDJL-STQMWFEESA-N 1 2 332.408 0.553 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)C1 ZINC000889319296 590974439 /nfs/dbraw/zinc/97/44/39/590974439.db2.gz XXWQDBDCRQLDJL-STQMWFEESA-N 1 2 332.408 0.553 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)NCc2n[nH]c([C@@H]3CCCO3)n2)C1 ZINC000889319296 590974441 /nfs/dbraw/zinc/97/44/41/590974441.db2.gz XXWQDBDCRQLDJL-STQMWFEESA-N 1 2 332.408 0.553 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2n[nH]c([C@@H]3CCCO3)n2)C1 ZINC000889319296 590974443 /nfs/dbraw/zinc/97/44/43/590974443.db2.gz XXWQDBDCRQLDJL-STQMWFEESA-N 1 2 332.408 0.553 20 30 ECEDLO C=CCCOCC(=O)N1CCN(c2nc(N)[nH+]c(C3CC3)n2)CC1 ZINC000887620855 590982645 /nfs/dbraw/zinc/98/26/45/590982645.db2.gz SJHBDCKRRBHOKH-UHFFFAOYSA-N 1 2 332.408 0.573 20 30 ECEDLO C=CCCOCC(=O)N1CCN(c2nc(N)nc(C3CC3)[nH+]2)CC1 ZINC000887620855 590982650 /nfs/dbraw/zinc/98/26/50/590982650.db2.gz SJHBDCKRRBHOKH-UHFFFAOYSA-N 1 2 332.408 0.573 20 30 ECEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H](O)C[C@@]3(O)CCOC3)CCO2)c1 ZINC000930135855 611393564 /nfs/dbraw/zinc/39/35/64/611393564.db2.gz PUNXDUXCSZOOHG-BZSNNMDCSA-N 1 2 332.400 0.834 20 30 ECEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H](O)C[C@@]3(O)CCOC3)CCO2)c1 ZINC000930135855 611393566 /nfs/dbraw/zinc/39/35/66/611393566.db2.gz PUNXDUXCSZOOHG-BZSNNMDCSA-N 1 2 332.400 0.834 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccnn2C2CCC2)CC1 ZINC000932039802 611594741 /nfs/dbraw/zinc/59/47/41/611594741.db2.gz XNYUBMRNKANWLA-UHFFFAOYSA-N 1 2 343.431 0.505 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccnn2C2CCC2)CC1 ZINC000932039802 611594743 /nfs/dbraw/zinc/59/47/43/611594743.db2.gz XNYUBMRNKANWLA-UHFFFAOYSA-N 1 2 343.431 0.505 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C[C@@H]1C ZINC000947032072 611619318 /nfs/dbraw/zinc/61/93/18/611619318.db2.gz JPVRYRLSQHPFAB-WDEREUQCSA-N 1 2 343.229 0.551 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)Cn2cnnn2)C[C@@H]1C ZINC000947032072 611619321 /nfs/dbraw/zinc/61/93/21/611619321.db2.gz JPVRYRLSQHPFAB-WDEREUQCSA-N 1 2 343.229 0.551 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C[C@@H]1C ZINC000947614809 611619972 /nfs/dbraw/zinc/61/99/72/611619972.db2.gz ABJFDZVCZJOELL-VHSXEESVSA-N 1 2 343.229 0.701 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)C[C@@H]1C ZINC000947614809 611619973 /nfs/dbraw/zinc/61/99/73/611619973.db2.gz ABJFDZVCZJOELL-VHSXEESVSA-N 1 2 343.229 0.701 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cc(OCC)n[nH]3)CC2)C1 ZINC000949391823 608666336 /nfs/dbraw/zinc/66/63/36/608666336.db2.gz ZKNCWCPAIFRGJA-UHFFFAOYSA-N 1 2 332.404 0.749 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cc(OCC)n[nH]3)CC2)C1 ZINC000949391823 608666337 /nfs/dbraw/zinc/66/63/37/608666337.db2.gz ZKNCWCPAIFRGJA-UHFFFAOYSA-N 1 2 332.404 0.749 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)c1 ZINC000937428095 608756868 /nfs/dbraw/zinc/75/68/68/608756868.db2.gz NIJCMDJGXVRXLX-AWEZNQCLSA-N 1 2 340.387 0.894 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3nncn3C)[C@H](C)C2)c1 ZINC000947711917 611663146 /nfs/dbraw/zinc/66/31/46/611663146.db2.gz YYLPGYRXQNDYMU-CZUORRHYSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3nncn3C)[C@H](C)C2)c1 ZINC000947711917 611663149 /nfs/dbraw/zinc/66/31/49/611663149.db2.gz YYLPGYRXQNDYMU-CZUORRHYSA-N 1 2 338.415 0.974 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1cnn(C)n1 ZINC000947217540 608964154 /nfs/dbraw/zinc/96/41/54/608964154.db2.gz OCVHJSSDFOQUKL-NEPJUHHUSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1cnn(C)n1 ZINC000947217540 608964158 /nfs/dbraw/zinc/96/41/58/608964158.db2.gz OCVHJSSDFOQUKL-NEPJUHHUSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1cnn(C)n1 ZINC000947217541 608964187 /nfs/dbraw/zinc/96/41/87/608964187.db2.gz OCVHJSSDFOQUKL-NWDGAFQWSA-N 1 2 327.392 0.798 20 30 ECEDLO C[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1cnn(C)n1 ZINC000947217541 608964189 /nfs/dbraw/zinc/96/41/89/608964189.db2.gz OCVHJSSDFOQUKL-NWDGAFQWSA-N 1 2 327.392 0.798 20 30 ECEDLO CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000937212288 609048715 /nfs/dbraw/zinc/04/87/15/609048715.db2.gz UAEKZPOPXBZMNX-CQSZACIVSA-N 1 2 326.360 0.456 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)c1ccn[nH]1 ZINC000937246903 609078541 /nfs/dbraw/zinc/07/85/41/609078541.db2.gz WTHYJOZXHCSJHY-HOCLYGCPSA-N 1 2 343.431 0.618 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1C(=O)c1ccn[nH]1 ZINC000937246903 609078542 /nfs/dbraw/zinc/07/85/42/609078542.db2.gz WTHYJOZXHCSJHY-HOCLYGCPSA-N 1 2 343.431 0.618 20 30 ECEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cccc(C#CCO)c1 ZINC000908146569 609645060 /nfs/dbraw/zinc/64/50/60/609645060.db2.gz UOCVPCQICRVWRG-YJBOKZPZSA-N 1 2 328.412 0.966 20 30 ECEDLO C=CCn1c(-c2cnsn2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000908712437 609659032 /nfs/dbraw/zinc/65/90/32/609659032.db2.gz KBYLSIJOUHYXRT-UHFFFAOYSA-N 1 2 335.437 0.751 20 30 ECEDLO C#CCCCNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000173321207 609779715 /nfs/dbraw/zinc/77/97/15/609779715.db2.gz PMNHBYSSSYWFEO-UHFFFAOYSA-N 1 2 327.392 0.608 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H](N(C)C(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC000938532333 609847352 /nfs/dbraw/zinc/84/73/52/609847352.db2.gz FTUIRDUSWBIMJU-LBPRGKRZSA-N 1 2 343.391 0.103 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cnc(C)[nH]2)C1 ZINC000938756860 609982860 /nfs/dbraw/zinc/98/28/60/609982860.db2.gz ZLLGVSFZLWVVPD-ZBFHGGJFSA-N 1 2 343.431 0.489 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)c2cnc(C)[nH]2)C1 ZINC000938756860 609982862 /nfs/dbraw/zinc/98/28/62/609982862.db2.gz ZLLGVSFZLWVVPD-ZBFHGGJFSA-N 1 2 343.431 0.489 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000938779593 609994580 /nfs/dbraw/zinc/99/45/80/609994580.db2.gz DCKHCZGJQDHUDE-KFWWJZLASA-N 1 2 332.404 0.534 20 30 ECEDLO N#CCCN(CCCNC(=O)C(F)(F)F)CC[NH+]1CCOCC1 ZINC000154864442 610026372 /nfs/dbraw/zinc/02/63/72/610026372.db2.gz RDYPTASXGUNNJB-UHFFFAOYSA-N 1 2 336.358 0.603 20 30 ECEDLO N#CCC[N@@H+](CCCNC(=O)C(F)(F)F)CCN1CCOCC1 ZINC000154864442 610026373 /nfs/dbraw/zinc/02/63/73/610026373.db2.gz RDYPTASXGUNNJB-UHFFFAOYSA-N 1 2 336.358 0.603 20 30 ECEDLO N#CCC[N@H+](CCCNC(=O)C(F)(F)F)CCN1CCOCC1 ZINC000154864442 610026375 /nfs/dbraw/zinc/02/63/75/610026375.db2.gz RDYPTASXGUNNJB-UHFFFAOYSA-N 1 2 336.358 0.603 20 30 ECEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000938906441 610029429 /nfs/dbraw/zinc/02/94/29/610029429.db2.gz ULPMMTXTYCVEFY-CYBMUJFWSA-N 1 2 340.387 0.535 20 30 ECEDLO C#Cc1cncc(C(=O)N(C)[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC000939909659 610169299 /nfs/dbraw/zinc/16/92/99/610169299.db2.gz HIANIRGVIAVWLA-INIZCTEOSA-N 1 2 337.383 0.702 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(OC(C)C)nc3)CC2)C1 ZINC000941427258 610301262 /nfs/dbraw/zinc/30/12/62/610301262.db2.gz SAKPKVRHXLKPNW-UHFFFAOYSA-N 1 2 342.443 0.944 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(=O)[nH]c(C4CC4)c3)CC2)C1 ZINC000941433408 610313636 /nfs/dbraw/zinc/31/36/36/610313636.db2.gz UZGAZEWYWHDYEO-UHFFFAOYSA-N 1 2 340.427 0.740 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCn4ccnc4C3)CC2)C1 ZINC000941464003 610323618 /nfs/dbraw/zinc/32/36/18/610323618.db2.gz DAZYETQGKFAOTD-MRXNPFEDSA-N 1 2 341.459 0.297 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC000940691363 610332047 /nfs/dbraw/zinc/33/20/47/610332047.db2.gz CDTAFXQDAXXOSJ-CYBMUJFWSA-N 1 2 343.391 0.082 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)CC2)C1 ZINC000941485638 610338109 /nfs/dbraw/zinc/33/81/09/610338109.db2.gz XXFWONIVNOOJKP-RBUKOAKNSA-N 1 2 345.487 0.901 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c(C)noc3C3CC3)CC2)C1 ZINC000941489271 610339729 /nfs/dbraw/zinc/33/97/29/610339729.db2.gz DIDVZRGFKLJDBO-UHFFFAOYSA-N 1 2 328.416 0.936 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccnc4ccncc43)CC2)C1 ZINC000941502241 610345687 /nfs/dbraw/zinc/34/56/87/610345687.db2.gz NFMSAWXWSIVDSN-UHFFFAOYSA-N 1 2 335.411 0.705 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H](C)Cc4cn[nH]c43)CC2)C1 ZINC000941529622 610361465 /nfs/dbraw/zinc/36/14/65/610361465.db2.gz UGSDNTPZGKNYNZ-RHSMWYFYSA-N 1 2 341.459 0.537 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCc4nn[nH]c43)CC2)C1 ZINC000941536964 610366852 /nfs/dbraw/zinc/36/68/52/610366852.db2.gz FPLJLHINHAIVMK-HNNXBMFYSA-N 1 2 342.447 0.076 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CCN(C2C[NH+]([C@@H]3CCCNC3=O)C2)CC1 ZINC000941550823 610373014 /nfs/dbraw/zinc/37/30/14/610373014.db2.gz RZVFWBAEJPSKGS-APWZRJJASA-N 1 2 348.491 0.696 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc4cnccc4n3)CC2)C1 ZINC000941582183 610394050 /nfs/dbraw/zinc/39/40/50/610394050.db2.gz KSDYSIZLDBTKRJ-UHFFFAOYSA-N 1 2 335.411 0.705 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)c3c(C)n[nH]c3C)CC2)C1 ZINC000941607159 610405119 /nfs/dbraw/zinc/40/51/19/610405119.db2.gz JIALCIWEASHQKI-CQSZACIVSA-N 1 2 343.475 0.982 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3cc(F)ccc3OC)CC2)C1 ZINC000941613892 610409496 /nfs/dbraw/zinc/40/94/96/610409496.db2.gz XLQSLVFXENAZRB-UHFFFAOYSA-N 1 2 345.418 0.838 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnn(CC4CC4)c3)CC2)C1 ZINC000941633025 610418878 /nfs/dbraw/zinc/41/88/78/610418878.db2.gz ZQNQHKURKFZAQX-UHFFFAOYSA-N 1 2 327.432 0.368 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C[C@H](C)n3cccn3)CC2)C1 ZINC000941634924 610420475 /nfs/dbraw/zinc/42/04/75/610420475.db2.gz NHLDBIRECBDOJV-INIZCTEOSA-N 1 2 329.448 0.686 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)n3nc(C)cc3C)CC2)C1 ZINC000941682174 610461222 /nfs/dbraw/zinc/46/12/22/610461222.db2.gz GNLMKIUYRUTXSQ-MRXNPFEDSA-N 1 2 329.448 0.523 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3nn(CC)nc3C)CC2)C1 ZINC000941690010 610465216 /nfs/dbraw/zinc/46/52/16/610465216.db2.gz FCRWHFJDKBKDSE-UHFFFAOYSA-N 1 2 330.436 0.072 20 30 ECEDLO CC1(C)C[N@H+](Cc2cc(F)ccc2C#N)CC[C@@H]1NC(=O)C(N)=O ZINC000940994927 610474812 /nfs/dbraw/zinc/47/48/12/610474812.db2.gz ZRPUQGIBIQPUFR-AWEZNQCLSA-N 1 2 332.379 0.899 20 30 ECEDLO CC1(C)C[N@@H+](Cc2cc(F)ccc2C#N)CC[C@@H]1NC(=O)C(N)=O ZINC000940994927 610474814 /nfs/dbraw/zinc/47/48/14/610474814.db2.gz ZRPUQGIBIQPUFR-AWEZNQCLSA-N 1 2 332.379 0.899 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)/C=C/C2CC2)C[C@H]1OC ZINC000942513164 610492552 /nfs/dbraw/zinc/49/25/52/610492552.db2.gz GDXSAEYJZDYWER-LIZFRFSKSA-N 1 2 345.443 0.392 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)/C=C/C2CC2)C[C@H]1OC ZINC000942513164 610492553 /nfs/dbraw/zinc/49/25/53/610492553.db2.gz GDXSAEYJZDYWER-LIZFRFSKSA-N 1 2 345.443 0.392 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000941801297 610505328 /nfs/dbraw/zinc/50/53/28/610505328.db2.gz DCSPTGUQBBCJPY-ZBFHGGJFSA-N 1 2 346.431 0.913 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CC2(C1)CCN(C(=O)C#CC1CC1)CC2 ZINC000944932951 610849015 /nfs/dbraw/zinc/84/90/15/610849015.db2.gz MQTNFRGODSQWOF-UHFFFAOYSA-N 1 2 340.427 0.827 20 30 ECEDLO C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H](C)C1 ZINC000943689614 610948160 /nfs/dbraw/zinc/94/81/60/610948160.db2.gz LEBVCENIGQFPHY-GXTWGEPZSA-N 1 2 344.419 0.474 20 30 ECEDLO C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H](C)C1 ZINC000943689614 610948162 /nfs/dbraw/zinc/94/81/62/610948162.db2.gz LEBVCENIGQFPHY-GXTWGEPZSA-N 1 2 344.419 0.474 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000944107869 611127432 /nfs/dbraw/zinc/12/74/32/611127432.db2.gz AOAKFKYAZRTWGU-KFWWJZLASA-N 1 2 332.404 0.581 20 30 ECEDLO C#Cc1cncc(C(=O)NC[C@H]2CCCN2C(=O)Cn2cc[nH+]c2)c1 ZINC000944108370 611127646 /nfs/dbraw/zinc/12/76/46/611127646.db2.gz HIONNVGVTGAOTC-MRXNPFEDSA-N 1 2 337.383 0.680 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)NC1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000946120353 611235430 /nfs/dbraw/zinc/23/54/30/611235430.db2.gz VPGMKPGVCHHNRD-UHFFFAOYSA-N 1 2 340.387 0.881 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cn(C)nn3)[C@@H](C)C2)nc1 ZINC000947949311 611753082 /nfs/dbraw/zinc/75/30/82/611753082.db2.gz TZUVKEBGIJMQNZ-DZGCQCFKSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cn(C)nn3)[C@@H](C)C2)nc1 ZINC000947949311 611753085 /nfs/dbraw/zinc/75/30/85/611753085.db2.gz TZUVKEBGIJMQNZ-DZGCQCFKSA-N 1 2 338.415 0.974 20 30 ECEDLO C#CC1(O)CN(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000929500307 611759181 /nfs/dbraw/zinc/75/91/81/611759181.db2.gz SYSOHRYYRDLYTG-UHFFFAOYSA-N 1 2 342.399 0.286 20 30 ECEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(C)Cc1cc(C#N)cs1 ZINC000929544007 611763429 /nfs/dbraw/zinc/76/34/29/611763429.db2.gz XKSZFLJUODRTGZ-LLVKDONJSA-N 1 2 331.401 0.980 20 30 ECEDLO C#C[C@H]1CCCC[N@H+]1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000934513058 611805690 /nfs/dbraw/zinc/80/56/90/611805690.db2.gz GHUUFMMZQYDVIJ-AWEZNQCLSA-N 1 2 347.440 0.711 20 30 ECEDLO C#C[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000934513058 611805691 /nfs/dbraw/zinc/80/56/91/611805691.db2.gz GHUUFMMZQYDVIJ-AWEZNQCLSA-N 1 2 347.440 0.711 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCOC[C@H]2CC2CCOCC2)CC1 ZINC000934640172 611811357 /nfs/dbraw/zinc/81/13/57/611811357.db2.gz BEYSDBVYKRYAMC-GOSISDBHSA-N 1 2 349.475 0.281 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCOC[C@H]2CC2CCOCC2)CC1 ZINC000934640172 611811358 /nfs/dbraw/zinc/81/13/58/611811358.db2.gz BEYSDBVYKRYAMC-GOSISDBHSA-N 1 2 349.475 0.281 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)CCn1cc[nH+]c1 ZINC000950235430 611920283 /nfs/dbraw/zinc/92/02/83/611920283.db2.gz RDGMFNYCRVHFHO-XHSDSOJGSA-N 1 2 346.431 0.972 20 30 ECEDLO C#CCC[NH+]1CC(N(CC)C(=O)c2ccc(OCC(N)=O)cc2)C1 ZINC000950810309 611921205 /nfs/dbraw/zinc/92/12/05/611921205.db2.gz KOTNQVOOXYUSIC-UHFFFAOYSA-N 1 2 329.400 0.720 20 30 ECEDLO C=CCn1cc(C(=O)N2CCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)nn1 ZINC000950854823 611947064 /nfs/dbraw/zinc/94/70/64/611947064.db2.gz RXYRVNPIKFPPLX-GFCCVEGCSA-N 1 2 343.391 0.151 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)CC2)C1 ZINC000949378975 611957186 /nfs/dbraw/zinc/95/71/86/611957186.db2.gz IHJXVZHWPHFOPW-INIZCTEOSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)CC2)C1 ZINC000949378975 611957188 /nfs/dbraw/zinc/95/71/88/611957188.db2.gz IHJXVZHWPHFOPW-INIZCTEOSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@]3(C)CCNC(=O)C3)CC2)C1 ZINC000949395685 611963677 /nfs/dbraw/zinc/96/36/77/611963677.db2.gz YXILTJXUPKMYGQ-QGZVFWFLSA-N 1 2 333.432 0.229 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@]3(C)CCNC(=O)C3)CC2)C1 ZINC000949395685 611963678 /nfs/dbraw/zinc/96/36/78/611963678.db2.gz YXILTJXUPKMYGQ-QGZVFWFLSA-N 1 2 333.432 0.229 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccc(C(N)=O)cc3)CC2)C1 ZINC000949526138 612021026 /nfs/dbraw/zinc/02/10/26/612021026.db2.gz FJRAVQKAXHXFLO-UHFFFAOYSA-N 1 2 341.411 0.726 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccc(C(N)=O)cc3)CC2)C1 ZINC000949526138 612021027 /nfs/dbraw/zinc/02/10/27/612021027.db2.gz FJRAVQKAXHXFLO-UHFFFAOYSA-N 1 2 341.411 0.726 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC000952944917 612134884 /nfs/dbraw/zinc/13/48/84/612134884.db2.gz NMSJFUKPTJLKHL-KBXCAEBGSA-N 1 2 343.431 0.963 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)CCc2c[nH]c[nH+]2)nc1 ZINC000951376400 612192795 /nfs/dbraw/zinc/19/27/95/612192795.db2.gz DOIZHRMAZSJVBV-HNNXBMFYSA-N 1 2 337.383 0.750 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)CCc2c[nH+]c[nH]2)nc1 ZINC000951376400 612192796 /nfs/dbraw/zinc/19/27/96/612192796.db2.gz DOIZHRMAZSJVBV-HNNXBMFYSA-N 1 2 337.383 0.750 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000955367491 612504933 /nfs/dbraw/zinc/50/49/33/612504933.db2.gz NQLFRVQNTTXPAR-KQTLUZQSSA-N 1 2 344.415 0.774 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000955367491 612504934 /nfs/dbraw/zinc/50/49/34/612504934.db2.gz NQLFRVQNTTXPAR-KQTLUZQSSA-N 1 2 344.415 0.774 20 30 ECEDLO C[C@@]1(NC(=O)c2c[nH]c(C#N)c2)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000956842222 612615334 /nfs/dbraw/zinc/61/53/34/612615334.db2.gz APKJFGLUUYTRLC-MRXNPFEDSA-N 1 2 326.360 0.573 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000951814558 612655203 /nfs/dbraw/zinc/65/52/03/612655203.db2.gz OCXQSCDYQBWJFV-GFCCVEGCSA-N 1 2 326.360 0.573 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000955634102 612721154 /nfs/dbraw/zinc/72/11/54/612721154.db2.gz WSCXCDAKANGRCG-TZMCWYRMSA-N 1 2 340.387 0.892 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H]2CCCN2C(=O)Cc2c[nH+]c[nH]2)nn1 ZINC000956255936 612803113 /nfs/dbraw/zinc/80/31/13/612803113.db2.gz KMRXYPBRXHSPNB-ZDUSSCGKSA-N 1 2 343.391 0.151 20 30 ECEDLO C[N@@H+]1CCO[C@@H](C(=O)NC2(C)CCN(C(=O)C#CC3CC3)CC2)C1 ZINC000956325221 612836056 /nfs/dbraw/zinc/83/60/56/612836056.db2.gz OEDFNLPFTFCKEK-OAHLLOKOSA-N 1 2 333.432 0.228 20 30 ECEDLO C[N@H+]1CCO[C@@H](C(=O)NC2(C)CCN(C(=O)C#CC3CC3)CC2)C1 ZINC000956325221 612836059 /nfs/dbraw/zinc/83/60/59/612836059.db2.gz OEDFNLPFTFCKEK-OAHLLOKOSA-N 1 2 333.432 0.228 20 30 ECEDLO C[N@@H+]1CCO[C@H](C(=O)NC2(C)CCN(C(=O)C#CC3CC3)CC2)C1 ZINC000956325220 612836473 /nfs/dbraw/zinc/83/64/73/612836473.db2.gz OEDFNLPFTFCKEK-HNNXBMFYSA-N 1 2 333.432 0.228 20 30 ECEDLO C[N@H+]1CCO[C@H](C(=O)NC2(C)CCN(C(=O)C#CC3CC3)CC2)C1 ZINC000956325220 612836476 /nfs/dbraw/zinc/83/64/76/612836476.db2.gz OEDFNLPFTFCKEK-HNNXBMFYSA-N 1 2 333.432 0.228 20 30 ECEDLO C=CCn1cc(C(=O)N(C)C2CN(C(=O)CCc3c[nH]c[nH+]3)C2)nn1 ZINC000954308413 612840937 /nfs/dbraw/zinc/84/09/37/612840937.db2.gz PXLAREYDJGQZQD-UHFFFAOYSA-N 1 2 343.391 0.103 20 30 ECEDLO C=CCn1cc(C(=O)N(C)C2CN(C(=O)CCc3c[nH+]c[nH]3)C2)nn1 ZINC000954308413 612840938 /nfs/dbraw/zinc/84/09/38/612840938.db2.gz PXLAREYDJGQZQD-UHFFFAOYSA-N 1 2 343.391 0.103 20 30 ECEDLO C#CCC1(C(=O)N[C@@H](C)CCNC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001078036046 782188384 /nfs/dbraw/zinc/18/83/84/782188384.db2.gz DWQBVQYTUXAXKG-AWEZNQCLSA-N 1 2 346.431 0.783 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)CC3CC3)C2)nn1 ZINC001098595326 738504449 /nfs/dbraw/zinc/50/44/49/738504449.db2.gz KZLWKGRJOZADMK-HNNXBMFYSA-N 1 2 346.435 0.243 20 30 ECEDLO CN(C[C@@H](O)CN(C)c1ncccc1C#N)C(=O)Cc1c[nH+]c[nH]1 ZINC001125298120 731884746 /nfs/dbraw/zinc/88/47/46/731884746.db2.gz ACWAAAJNNQWHIX-CQSZACIVSA-N 1 2 328.376 0.175 20 30 ECEDLO C[C@@H](NC(=O)[C@@H]1COC(=O)N1)C1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000969596383 731989320 /nfs/dbraw/zinc/98/93/20/731989320.db2.gz UYEJJVDARFTQMA-BMIGLBTASA-N 1 2 346.362 0.742 20 30 ECEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]cn1C ZINC000969598203 731995638 /nfs/dbraw/zinc/99/56/38/731995638.db2.gz XGGIRZHIYGQUPU-YUELXQCFSA-N 1 2 329.404 0.714 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([NH2+]Cc2nc(CC(=O)NC)no2)C1 ZINC000969832370 732424658 /nfs/dbraw/zinc/42/46/58/732424658.db2.gz RPKFBUZCDWLTPX-SJKOYZFVSA-N 1 2 349.435 0.651 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@@H]([NH2+]Cc3nc(COC)no3)C2)c1 ZINC000969887954 732484317 /nfs/dbraw/zinc/48/43/17/732484317.db2.gz GTCJLTDCFGIYJW-CQSZACIVSA-N 1 2 341.371 0.597 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2snnc2C)C1 ZINC001111583200 732642388 /nfs/dbraw/zinc/64/23/88/732642388.db2.gz KZAUQVHTSQXPBN-LRDDRELGSA-N 1 2 349.460 0.733 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2snnc2C)C1 ZINC001111583200 732642391 /nfs/dbraw/zinc/64/23/91/732642391.db2.gz KZAUQVHTSQXPBN-LRDDRELGSA-N 1 2 349.460 0.733 20 30 ECEDLO C=C1CCC(C(=O)N2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](O)C2)CC1 ZINC000970094989 732769177 /nfs/dbraw/zinc/76/91/77/732769177.db2.gz XSFFARLQHCVTBC-KGLIPLIRSA-N 1 2 332.404 0.387 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H](C)C2C[NH+](Cc3cnc(C)cn3)C2)nn1 ZINC000970545172 733662584 /nfs/dbraw/zinc/66/25/84/733662584.db2.gz WLIZEMWDMCBWPX-ZDUSSCGKSA-N 1 2 341.419 0.813 20 30 ECEDLO C=CCOCC(=O)NC[C@@H]1CN(c2cc(C)[nH+]c(CC)n2)CCO1 ZINC001104298993 734085687 /nfs/dbraw/zinc/08/56/87/734085687.db2.gz XBSRXTDCMUCKOR-CQSZACIVSA-N 1 2 334.420 0.871 20 30 ECEDLO C#CCCCC(=O)NC[C@@H]1CN(c2[nH+]cnc3c2cnn3C)CCO1 ZINC001104316439 734258362 /nfs/dbraw/zinc/25/83/62/734258362.db2.gz ADICTBJPSRVECU-CYBMUJFWSA-N 1 2 342.403 0.488 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC000971214150 734364733 /nfs/dbraw/zinc/36/47/33/734364733.db2.gz PMQVKFNYLHXDMP-ZFWWWQNUSA-N 1 2 331.420 0.651 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC000971214150 734364739 /nfs/dbraw/zinc/36/47/39/734364739.db2.gz PMQVKFNYLHXDMP-ZFWWWQNUSA-N 1 2 331.420 0.651 20 30 ECEDLO C#CCOCCC(=O)NC[C@H]1CN(c2cc(C)[nH+]c(CC)n2)CCO1 ZINC001104330402 734369920 /nfs/dbraw/zinc/36/99/20/734369920.db2.gz OIFANKHFHRYVNG-HNNXBMFYSA-N 1 2 346.431 0.709 20 30 ECEDLO C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001087151407 734472657 /nfs/dbraw/zinc/47/26/57/734472657.db2.gz NJMAYMOFHWWDOG-YPMHNXCESA-N 1 2 342.407 0.440 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccnn3C3CCOCC3)[C@H]2C1 ZINC001083219331 734650979 /nfs/dbraw/zinc/65/09/79/734650979.db2.gz PIHWGOHRBMLLPD-DLBZAZTESA-N 1 2 344.415 0.393 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccnn3C3CCOCC3)[C@H]2C1 ZINC001083219331 734650981 /nfs/dbraw/zinc/65/09/81/734650981.db2.gz PIHWGOHRBMLLPD-DLBZAZTESA-N 1 2 344.415 0.393 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2nc(=O)n(C)[nH]2)C1 ZINC000971603950 734791789 /nfs/dbraw/zinc/79/17/89/734791789.db2.gz YKWLQCUWPNGHKS-NSHDSACASA-N 1 2 341.843 0.920 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)Cc2nc(=O)n(C)[nH]2)C1 ZINC000971603950 734791792 /nfs/dbraw/zinc/79/17/92/734791792.db2.gz YKWLQCUWPNGHKS-NSHDSACASA-N 1 2 341.843 0.920 20 30 ECEDLO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC000971813328 735112571 /nfs/dbraw/zinc/11/25/71/735112571.db2.gz JOZYUMKWACJSBZ-NSHDSACASA-N 1 2 347.824 0.826 20 30 ECEDLO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)c2coc(S(N)(=O)=O)c2)C1 ZINC000971813328 735112574 /nfs/dbraw/zinc/11/25/74/735112574.db2.gz JOZYUMKWACJSBZ-NSHDSACASA-N 1 2 347.824 0.826 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)c4nc[nH]n4)[C@H]3C2)cc1 ZINC001083227280 735157289 /nfs/dbraw/zinc/15/72/89/735157289.db2.gz WCKWMHSIXHISJK-LSDHHAIUSA-N 1 2 338.371 0.402 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)c4nc[nH]n4)[C@H]3C2)cc1 ZINC001083227280 735157291 /nfs/dbraw/zinc/15/72/91/735157291.db2.gz WCKWMHSIXHISJK-LSDHHAIUSA-N 1 2 338.371 0.402 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc3cc(C)nn32)C1 ZINC001078197786 782476820 /nfs/dbraw/zinc/47/68/20/782476820.db2.gz QVYUYDMZYGKYNI-UKRRQHHQSA-N 1 2 327.388 0.144 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C)nc3cc(C)nn32)C1 ZINC001078197786 782476831 /nfs/dbraw/zinc/47/68/31/782476831.db2.gz QVYUYDMZYGKYNI-UKRRQHHQSA-N 1 2 327.388 0.144 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972075063 735614515 /nfs/dbraw/zinc/61/45/15/735614515.db2.gz HVONNPVZYVLEIT-GHMZBOCLSA-N 1 2 330.226 0.564 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000972075063 735614516 /nfs/dbraw/zinc/61/45/16/735614516.db2.gz HVONNPVZYVLEIT-GHMZBOCLSA-N 1 2 330.226 0.564 20 30 ECEDLO Cn1nnc(C(=O)N2CC[C@@H]([N@H+](C)Cc3cc(F)ccc3C#N)C2)n1 ZINC000972112137 735655655 /nfs/dbraw/zinc/65/56/55/735655655.db2.gz MGFAMDXIHBUJCI-CQSZACIVSA-N 1 2 343.366 0.567 20 30 ECEDLO Cn1nnc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3cc(F)ccc3C#N)C2)n1 ZINC000972112137 735655658 /nfs/dbraw/zinc/65/56/58/735655658.db2.gz MGFAMDXIHBUJCI-CQSZACIVSA-N 1 2 343.366 0.567 20 30 ECEDLO Cc1noc(CCC[N@@H+]2CCO[C@@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)n1 ZINC000972297402 735906661 /nfs/dbraw/zinc/90/66/61/735906661.db2.gz IOYBAZGABTUTMS-DYVFJYSZSA-N 1 2 347.419 0.774 20 30 ECEDLO Cc1noc(CCC[N@H+]2CCO[C@@]3(CCN(C(=O)[C@H](C)C#N)C3)C2)n1 ZINC000972297402 735906662 /nfs/dbraw/zinc/90/66/62/735906662.db2.gz IOYBAZGABTUTMS-DYVFJYSZSA-N 1 2 347.419 0.774 20 30 ECEDLO C=CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001041963735 782503307 /nfs/dbraw/zinc/50/33/07/782503307.db2.gz YOXIVYQLAXDDNH-CYBMUJFWSA-N 1 2 332.404 0.101 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnn(CCOC)c3C)C2)C1 ZINC000972379837 736047558 /nfs/dbraw/zinc/04/75/58/736047558.db2.gz AXAQSWPKBZDIDD-GOSISDBHSA-N 1 2 348.447 0.941 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnn(CCOC)c3C)C2)C1 ZINC000972379837 736047563 /nfs/dbraw/zinc/04/75/63/736047563.db2.gz AXAQSWPKBZDIDD-GOSISDBHSA-N 1 2 348.447 0.941 20 30 ECEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C(=O)N(C)C)cc3)[C@H]2C1 ZINC001083250640 736083648 /nfs/dbraw/zinc/08/36/48/736083648.db2.gz DKBCTZNYVWUDPA-DLBZAZTESA-N 1 2 341.411 0.547 20 30 ECEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C(=O)N(C)C)cc3)[C@H]2C1 ZINC001083250640 736083651 /nfs/dbraw/zinc/08/36/51/736083651.db2.gz DKBCTZNYVWUDPA-DLBZAZTESA-N 1 2 341.411 0.547 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)C2)C1 ZINC000972394874 736112076 /nfs/dbraw/zinc/11/20/76/736112076.db2.gz RZALVWLNILCBHJ-QFBILLFUSA-N 1 2 347.459 0.570 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)C2)C1 ZINC000972394874 736112078 /nfs/dbraw/zinc/11/20/78/736112078.db2.gz RZALVWLNILCBHJ-QFBILLFUSA-N 1 2 347.459 0.570 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCN(C)C3=O)C2)C1 ZINC000972426939 736172366 /nfs/dbraw/zinc/17/23/66/736172366.db2.gz XKLZVHIGEHAVBN-QAPCUYQASA-N 1 2 333.432 0.181 20 30 ECEDLO CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CCN(C)C3=O)C2)C1 ZINC000972426939 736172368 /nfs/dbraw/zinc/17/23/68/736172368.db2.gz XKLZVHIGEHAVBN-QAPCUYQASA-N 1 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ZINC000972492708 736380158 /nfs/dbraw/zinc/38/01/58/736380158.db2.gz PRGBDLJPIRPULQ-QGZVFWFLSA-N 1 2 327.388 0.832 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccn(C)n3)C2)nn1 ZINC000972516173 736524087 /nfs/dbraw/zinc/52/40/87/736524087.db2.gz IQEJEJFWGAIGTA-HNNXBMFYSA-N 1 2 343.435 0.934 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@H]([N@H+](C)Cc3ccn(C)n3)C2)nn1 ZINC000972516173 736524090 /nfs/dbraw/zinc/52/40/90/736524090.db2.gz IQEJEJFWGAIGTA-HNNXBMFYSA-N 1 2 343.435 0.934 20 30 ECEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCc4nn[nH]c43)C2)C1 ZINC000972523404 736565648 /nfs/dbraw/zinc/56/56/48/736565648.db2.gz IWLYTQBDRPRIHH-GUYCJALGSA-N 1 2 329.404 0.161 20 30 ECEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCc4nn[nH]c43)C2)C1 ZINC000972523404 736565649 /nfs/dbraw/zinc/56/56/49/736565649.db2.gz IWLYTQBDRPRIHH-GUYCJALGSA-N 1 2 329.404 0.161 20 30 ECEDLO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC000972554434 736733764 /nfs/dbraw/zinc/73/37/64/736733764.db2.gz 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C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2nncn2C)C1 ZINC001023599218 737058257 /nfs/dbraw/zinc/05/82/57/737058257.db2.gz DDMPEDGQLHOYET-ZNMIVQPWSA-N 1 2 333.436 0.734 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2nncn2C)C1 ZINC001023599218 737058261 /nfs/dbraw/zinc/05/82/61/737058261.db2.gz DDMPEDGQLHOYET-ZNMIVQPWSA-N 1 2 333.436 0.734 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)CCN(C(C)=O)C3)C2)C1 ZINC000972628480 737153878 /nfs/dbraw/zinc/15/38/78/737153878.db2.gz SJENLRPREOZZGD-QZTJIDSGSA-N 1 2 335.448 0.734 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@]3(C)CCN(C(C)=O)C3)C2)C1 ZINC000972628480 737153880 /nfs/dbraw/zinc/15/38/80/737153880.db2.gz SJENLRPREOZZGD-QZTJIDSGSA-N 1 2 335.448 0.734 20 30 ECEDLO C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCN(C)C3=O)C2)C1 ZINC000972633926 737179755 /nfs/dbraw/zinc/17/97/55/737179755.db2.gz IXPHLYBTCMTLPI-YJBOKZPZSA-N 1 2 335.448 0.734 20 30 ECEDLO C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCN(C)C3=O)C2)C1 ZINC000972633926 737179758 /nfs/dbraw/zinc/17/97/58/737179758.db2.gz IXPHLYBTCMTLPI-YJBOKZPZSA-N 1 2 335.448 0.734 20 30 ECEDLO C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)CN3CCCCCC3=O)C2)C1 ZINC000972667331 737301626 /nfs/dbraw/zinc/30/16/26/737301626.db2.gz NMPULTRCTYXWDL-GOSISDBHSA-N 1 2 335.448 0.878 20 30 ECEDLO C=CC[N@H+]1CCO[C@]2(CCN(C(=O)CN3CCCCCC3=O)C2)C1 ZINC000972667331 737301628 /nfs/dbraw/zinc/30/16/28/737301628.db2.gz NMPULTRCTYXWDL-GOSISDBHSA-N 1 2 335.448 0.878 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3nc(C4CC4)nn3C)C2)C1 ZINC000972684340 737374738 /nfs/dbraw/zinc/37/47/38/737374738.db2.gz RNNWQTJFWLSAIM-GOSISDBHSA-N 1 2 343.431 0.172 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3nc(C4CC4)nn3C)C2)C1 ZINC000972684340 737374741 /nfs/dbraw/zinc/37/47/41/737374741.db2.gz RNNWQTJFWLSAIM-GOSISDBHSA-N 1 2 343.431 0.172 20 30 ECEDLO CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)cn3)C2)C1 ZINC000972695289 737405312 /nfs/dbraw/zinc/40/53/12/737405312.db2.gz IKXNKWQJHJMNET-GOSISDBHSA-N 1 2 342.399 0.121 20 30 ECEDLO CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccc(C(N)=O)cn3)C2)C1 ZINC000972695289 737405315 /nfs/dbraw/zinc/40/53/15/737405315.db2.gz IKXNKWQJHJMNET-GOSISDBHSA-N 1 2 342.399 0.121 20 30 ECEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CCC(NC(C)=O)CC3)C2)C1 ZINC000972699208 737435856 /nfs/dbraw/zinc/43/58/56/737435856.db2.gz CEBATEOPOCTMSM-FAFZWHIHSA-N 1 2 347.459 0.618 20 30 ECEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CCC(NC(C)=O)CC3)C2)C1 ZINC000972699208 737435858 /nfs/dbraw/zinc/43/58/58/737435858.db2.gz CEBATEOPOCTMSM-FAFZWHIHSA-N 1 2 347.459 0.618 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC1CS(=O)(=O)C1 ZINC001087293139 738135562 /nfs/dbraw/zinc/13/55/62/738135562.db2.gz YWBNYFHLAJYZEJ-VNQPRFMTSA-N 1 2 338.473 0.660 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC1CS(=O)(=O)C1 ZINC001087293139 738135564 /nfs/dbraw/zinc/13/55/64/738135564.db2.gz YWBNYFHLAJYZEJ-VNQPRFMTSA-N 1 2 338.473 0.660 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2O)C1 ZINC000973199237 738899443 /nfs/dbraw/zinc/89/94/43/738899443.db2.gz QZGYTZDRLWUCNO-IHRRRGAJSA-N 1 2 342.399 0.262 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ncccc2O)C1 ZINC000973199237 738899449 /nfs/dbraw/zinc/89/94/49/738899449.db2.gz QZGYTZDRLWUCNO-IHRRRGAJSA-N 1 2 342.399 0.262 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2cnnn2CC)CC1 ZINC000981992774 751428380 /nfs/dbraw/zinc/42/83/80/751428380.db2.gz HXYPAWWFTDKUTP-CVEARBPZSA-N 1 2 333.436 0.923 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2cnnn2CC)CC1 ZINC000981992774 751428385 /nfs/dbraw/zinc/42/83/85/751428385.db2.gz HXYPAWWFTDKUTP-CVEARBPZSA-N 1 2 333.436 0.923 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)Cc3c[nH+]cn3C)C2)cn1 ZINC000973465602 739333900 /nfs/dbraw/zinc/33/39/00/739333900.db2.gz XNISLIASPDSBEB-SHTZXODSSA-N 1 2 337.383 0.416 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1cn(C)nn1 ZINC001028194924 751436668 /nfs/dbraw/zinc/43/66/68/751436668.db2.gz 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N#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)CC2CCCC2)C1 ZINC001149129016 740115057 /nfs/dbraw/zinc/11/50/57/740115057.db2.gz FWDFZIGBMQDDLT-HNNXBMFYSA-N 1 2 336.436 0.414 20 30 ECEDLO C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001025937395 740265396 /nfs/dbraw/zinc/26/53/96/740265396.db2.gz MFGQYGFSHIAMHJ-JCIQBVFBSA-N 1 2 342.237 0.453 20 30 ECEDLO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001025937395 740265397 /nfs/dbraw/zinc/26/53/97/740265397.db2.gz MFGQYGFSHIAMHJ-JCIQBVFBSA-N 1 2 342.237 0.453 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C)CNc1ccnc(C#N)n1 ZINC001104851256 740714683 /nfs/dbraw/zinc/71/46/83/740714683.db2.gz PHLHIFPRHUUWGE-RYUDHWBXSA-N 1 2 327.392 0.631 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H](C)CNc1ccnc(C#N)n1 ZINC001104851256 740714685 /nfs/dbraw/zinc/71/46/85/740714685.db2.gz PHLHIFPRHUUWGE-RYUDHWBXSA-N 1 2 327.392 0.631 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)nn1 ZINC000974173235 741055525 /nfs/dbraw/zinc/05/55/25/741055525.db2.gz KIZWAANINXNITB-BETUJISGSA-N 1 2 343.391 0.128 20 30 ECEDLO C#CCNC(=O)CC(=O)N1CCC[C@H](C)[C@@H]1CNc1cc[nH+]c(C)n1 ZINC001105094748 741345600 /nfs/dbraw/zinc/34/56/00/741345600.db2.gz ZNOWLVHODRCADX-ZFWWWQNUSA-N 1 2 343.431 0.964 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3n[nH]c(C)c3C)C2)nn1 ZINC001105199789 741462481 /nfs/dbraw/zinc/46/24/81/741462481.db2.gz HZNGMMZSBLQUFR-UHFFFAOYSA-N 1 2 327.392 0.428 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3coc(CC)n3)C2)nn1 ZINC001105217804 741482514 /nfs/dbraw/zinc/48/25/14/741482514.db2.gz LOTVMPZQRZMQNQ-UHFFFAOYSA-N 1 2 328.376 0.639 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C3CCC(O)CC3)C2)nn1 ZINC001105223805 741501050 /nfs/dbraw/zinc/50/10/50/741501050.db2.gz JSGWRDCAHUFCPI-UHFFFAOYSA-N 1 2 331.420 0.325 20 30 ECEDLO CC[C@H](C)CC(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105227481 741508786 /nfs/dbraw/zinc/50/87/86/741508786.db2.gz MCKWCSYMSHQYAA-AWEZNQCLSA-N 1 2 333.436 0.837 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CC(n2cc(C[NH2+]C[C@@H](F)CC)nn2)C1 ZINC001105227581 741509050 /nfs/dbraw/zinc/50/90/50/741509050.db2.gz PUEKLWMTYGUBJN-BLLLJJGKSA-N 1 2 339.415 0.826 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCO[C@H]3C=C)C2)nn1 ZINC001105242857 741543518 /nfs/dbraw/zinc/54/35/18/741543518.db2.gz LRANNSYWYYUZPE-CVEARBPZSA-N 1 2 329.404 0.365 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C)n(C(F)F)n3)C2)nn1 ZINC001105249088 741552047 /nfs/dbraw/zinc/55/20/47/741552047.db2.gz IQEKKNSBXPXOHX-UHFFFAOYSA-N 1 2 349.345 0.598 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccnn3[C@@H](C)CC)C2)nn1 ZINC001105252245 741561237 /nfs/dbraw/zinc/56/12/37/741561237.db2.gz GAYXMMWAXXUFMI-ZDUSSCGKSA-N 1 2 341.419 0.866 20 30 ECEDLO C=C(C)CCC(=O)N1CC(n2cc(C[NH2+][C@H]3CCN(C)C3=O)nn2)C1 ZINC001105254312 741568207 /nfs/dbraw/zinc/56/82/07/741568207.db2.gz UESXSPSZEAPRLU-HNNXBMFYSA-N 1 2 346.435 0.338 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCO[C@H]3C(C)C)C2)nn1 ZINC001105256828 741572382 /nfs/dbraw/zinc/57/23/82/741572382.db2.gz UQSSGHWNJJERMN-SJORKVTESA-N 1 2 345.447 0.835 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)COc3cc(C)on3)C2)nn1 ZINC001105265057 741603021 /nfs/dbraw/zinc/60/30/21/741603021.db2.gz WDACLTKONNIGAT-UHFFFAOYSA-N 1 2 344.375 0.150 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccn4ccnc4c3)C2)nn1 ZINC001105280868 741637205 /nfs/dbraw/zinc/63/72/05/741637205.db2.gz HIUNUMKEVKEPFC-UHFFFAOYSA-N 1 2 349.398 0.736 20 30 ECEDLO C=C(C)C[C@H](C)C(=O)N1CC(n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001105309884 741718642 /nfs/dbraw/zinc/71/86/42/741718642.db2.gz HBVSMICKBAVNQO-LBPRGKRZSA-N 1 2 334.424 0.099 20 30 ECEDLO C=C[C@H](CC)CC(=O)N1CC(n2cc(C[NH2+][C@H]3CCNC3=O)nn2)C1 ZINC001105309991 741718931 /nfs/dbraw/zinc/71/89/31/741718931.db2.gz LLYIOMGETOTMSI-DOMZBBRYSA-N 1 2 346.435 0.242 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc4n3CCCC4)C2)nn1 ZINC001105312602 741731083 /nfs/dbraw/zinc/73/10/83/741731083.db2.gz TYZBOYJJGOQFMS-UHFFFAOYSA-N 1 2 339.403 0.231 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001058730835 741757334 /nfs/dbraw/zinc/75/73/34/741757334.db2.gz KCSJNMDADZIETJ-QGZVFWFLSA-N 1 2 336.436 0.882 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N(CCO)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001058730835 741757335 /nfs/dbraw/zinc/75/73/35/741757335.db2.gz KCSJNMDADZIETJ-QGZVFWFLSA-N 1 2 336.436 0.882 20 30 ECEDLO C=CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3C[C@H]3C)C2)nn1 ZINC001105318942 741763990 /nfs/dbraw/zinc/76/39/90/741763990.db2.gz UXTBXWGAJIPWPH-OLZOCXBDSA-N 1 2 346.435 0.099 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C(F)F)n[nH]3)C2)nn1 ZINC001105325352 741800090 /nfs/dbraw/zinc/80/00/90/741800090.db2.gz MYDCSUIJUJWRKL-UHFFFAOYSA-N 1 2 335.318 0.359 20 30 ECEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3[nH]c(C)nc3C)C2)nn1 ZINC001105329923 741831902 /nfs/dbraw/zinc/83/19/02/741831902.db2.gz FFOHECCOQJFUAB-UHFFFAOYSA-N 1 2 327.392 0.428 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)c3cnco3)C(C)(C)C2)C1=O ZINC000974897584 742330487 /nfs/dbraw/zinc/33/04/87/742330487.db2.gz VBFCGEPHEFFFPO-OCCSQVGLSA-N 1 2 332.404 0.902 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)c3cnco3)C(C)(C)C2)C1=O ZINC000974897584 742330493 /nfs/dbraw/zinc/33/04/93/742330493.db2.gz VBFCGEPHEFFFPO-OCCSQVGLSA-N 1 2 332.404 0.902 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CO[C@H]3CCC[C@H](C)C3)C2)nn1 ZINC001105337202 742440926 /nfs/dbraw/zinc/44/09/26/742440926.db2.gz VSNHAEGUNBFSJD-YOEHRIQHSA-N 1 2 345.447 0.980 20 30 ECEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)cn1 ZINC000997101239 743235454 /nfs/dbraw/zinc/23/54/54/743235454.db2.gz DRVNCJJPCWIQRM-CYBMUJFWSA-N 1 2 349.394 0.463 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC000975826890 743333709 /nfs/dbraw/zinc/33/37/09/743333709.db2.gz XGZJNZFRXIEYPU-ILXRZTDVSA-N 1 2 329.404 0.882 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001059867269 751827642 /nfs/dbraw/zinc/82/76/42/751827642.db2.gz LDGVTMGSFBBPKZ-HUUCEWRRSA-N 1 2 332.404 0.276 20 30 ECEDLO C#CC[N@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)C(N)=O)C1 ZINC001087471179 743502152 /nfs/dbraw/zinc/50/21/52/743502152.db2.gz RQEVYLKCHNTWIL-HOTGVXAUSA-N 1 2 329.400 0.478 20 30 ECEDLO C#CC[N@@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)C(N)=O)C1 ZINC001087471179 743502161 /nfs/dbraw/zinc/50/21/61/743502161.db2.gz RQEVYLKCHNTWIL-HOTGVXAUSA-N 1 2 329.400 0.478 20 30 ECEDLO C#Cc1cncc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cc[nH+]c2)C3)c1 ZINC000997886034 743870614 /nfs/dbraw/zinc/87/06/14/743870614.db2.gz YSOIXIQTWNBGLZ-IKGGRYGDSA-N 1 2 349.394 0.821 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H](C)C2CN(C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC001006836100 751889146 /nfs/dbraw/zinc/88/91/46/751889146.db2.gz RJWSGWZXPCHXJV-GFCCVEGCSA-N 1 2 337.383 0.605 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000976690813 744205979 /nfs/dbraw/zinc/20/59/79/744205979.db2.gz FYMYZRKTMHZPHE-HALDLXJZSA-N 1 2 339.399 0.827 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3[C@@H]4c5ccccc5C[C@H]34)C2)nn1 ZINC001105339524 744461338 /nfs/dbraw/zinc/46/13/38/744461338.db2.gz SSOXFLJWIGTSIO-IPMKNSEASA-N 1 2 347.422 0.970 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]21 ZINC000977215997 744795152 /nfs/dbraw/zinc/79/51/52/744795152.db2.gz WHNJVZMTJLPQTH-UWRURVRSSA-N 1 2 344.415 0.425 20 30 ECEDLO C=C(C)C[N@@H+]1C[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C(C)(C)C1 ZINC000977363572 744905332 /nfs/dbraw/zinc/90/53/32/744905332.db2.gz MQBZQHBGSLINJI-ZDUSSCGKSA-N 1 2 344.419 0.474 20 30 ECEDLO C=C(C)C[N@H+]1C[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C(C)(C)C1 ZINC000977363572 744905334 /nfs/dbraw/zinc/90/53/34/744905334.db2.gz MQBZQHBGSLINJI-ZDUSSCGKSA-N 1 2 344.419 0.474 20 30 ECEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3COc4ccccc43)C2)nn1 ZINC001105382665 744992025 /nfs/dbraw/zinc/99/20/25/744992025.db2.gz LTZPTXHDKBPZJY-INIZCTEOSA-N 1 2 337.383 0.560 20 30 ECEDLO C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001027524885 745005336 /nfs/dbraw/zinc/00/53/36/745005336.db2.gz RRWKXIWVRKZTEU-NWDGAFQWSA-N 1 2 344.253 0.954 20 30 ECEDLO C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001027524885 745005341 /nfs/dbraw/zinc/00/53/41/745005341.db2.gz RRWKXIWVRKZTEU-NWDGAFQWSA-N 1 2 344.253 0.954 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]1CN(C)C(=O)c1cc(C#N)c[nH]1 ZINC000977521223 745167760 /nfs/dbraw/zinc/16/77/60/745167760.db2.gz QSUROCWXMQPGJA-ZDUSSCGKSA-N 1 2 340.387 0.834 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001000022550 745193777 /nfs/dbraw/zinc/19/37/77/745193777.db2.gz QLULLAAPXKFEJX-WQVCFCJDSA-N 1 2 344.415 0.364 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@H](NC(=O)[C@H]2COCCN2C(C)=O)C(C)(C)C1 ZINC000977617965 745300814 /nfs/dbraw/zinc/30/08/14/745300814.db2.gz PIYFNOYHYGSNBU-KGLIPLIRSA-N 1 2 343.855 0.813 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)[C@H]2COCCN2C(C)=O)C(C)(C)C1 ZINC000977617965 745300819 /nfs/dbraw/zinc/30/08/19/745300819.db2.gz PIYFNOYHYGSNBU-KGLIPLIRSA-N 1 2 343.855 0.813 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001029244469 745429218 /nfs/dbraw/zinc/42/92/18/745429218.db2.gz HUNTXOGRSAIONT-XDQVBPFNSA-N 1 2 325.434 0.256 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC001029244469 745429221 /nfs/dbraw/zinc/42/92/21/745429221.db2.gz HUNTXOGRSAIONT-XDQVBPFNSA-N 1 2 325.434 0.256 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)NC2CC2)c1 ZINC001029259215 745463776 /nfs/dbraw/zinc/46/37/76/745463776.db2.gz AYTWRLKSGUOBHN-OKILXGFUSA-N 1 2 327.388 0.454 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NC2CC2)c1 ZINC001029259215 745463780 /nfs/dbraw/zinc/46/37/80/745463780.db2.gz AYTWRLKSGUOBHN-OKILXGFUSA-N 1 2 327.388 0.454 20 30 ECEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@H]2CCC(=O)N2)CC1 ZINC001000522859 745564421 /nfs/dbraw/zinc/56/44/21/745564421.db2.gz SVIZJVLNMZGKIJ-GFCCVEGCSA-N 1 2 342.237 0.922 20 30 ECEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCC(=O)N2)CC1 ZINC001000522859 745564424 /nfs/dbraw/zinc/56/44/24/745564424.db2.gz SVIZJVLNMZGKIJ-GFCCVEGCSA-N 1 2 342.237 0.922 20 30 ECEDLO COCC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3C[C@@H]3C)C2)nn1 ZINC001098700634 745639506 /nfs/dbraw/zinc/63/95/06/745639506.db2.gz QOAURRKILQOFCM-BPUTZDHNSA-N 1 2 331.420 0.447 20 30 ECEDLO N#Cc1cnccc1N[C@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001059331444 745970950 /nfs/dbraw/zinc/97/09/50/745970950.db2.gz WSMMXGZFKRCZRC-QEJZJMRPSA-N 1 2 336.399 0.893 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CSCCC)[C@H](OC)C1 ZINC001211951688 752089344 /nfs/dbraw/zinc/08/93/44/752089344.db2.gz KYDYKPULDROEFZ-MGPQQGTHSA-N 1 2 343.493 0.636 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CSCCC)[C@H](OC)C1 ZINC001211951688 752089347 /nfs/dbraw/zinc/08/93/47/752089347.db2.gz KYDYKPULDROEFZ-MGPQQGTHSA-N 1 2 343.493 0.636 20 30 ECEDLO C[C@H](CC(=O)N1CC(CNC(=O)c2c[nH]c(C#N)c2)C1)n1cc[nH+]c1 ZINC001001509112 746447396 /nfs/dbraw/zinc/44/73/96/746447396.db2.gz NUENMKNZKTVZMZ-GFCCVEGCSA-N 1 2 340.387 0.922 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3nnnn3C3CC3)CC[C@@H]2C1 ZINC001087910855 746643139 /nfs/dbraw/zinc/64/31/39/746643139.db2.gz BEXJUTSBQBZOEG-XQQFMLRXSA-N 1 2 329.408 0.448 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3nnnn3C3CC3)CC[C@@H]2C1 ZINC001087910855 746643142 /nfs/dbraw/zinc/64/31/42/746643142.db2.gz BEXJUTSBQBZOEG-XQQFMLRXSA-N 1 2 329.408 0.448 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC(n3cc(C[NH2+]CCF)nn3)C2)nn1 ZINC001105340498 746700950 /nfs/dbraw/zinc/70/09/50/746700950.db2.gz BMCBIGWCYIPEJT-UHFFFAOYSA-N 1 2 348.386 0.202 20 30 ECEDLO C=CCCCC(=O)N1CC[C@@H](n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001098710704 746709755 /nfs/dbraw/zinc/70/97/55/746709755.db2.gz JWIDCTYPWFOMEO-CQSZACIVSA-N 1 2 334.424 0.243 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](Cc2nnnn2C)CC1 ZINC001001843242 746763962 /nfs/dbraw/zinc/76/39/62/746763962.db2.gz CYTJFCCAPKXZAX-KGLIPLIRSA-N 1 2 334.424 0.129 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)NC1CC1 ZINC001029481944 746903421 /nfs/dbraw/zinc/90/34/21/746903421.db2.gz MTBVWWZLSOOETB-RDDKANTKSA-N 1 2 347.459 0.920 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)NC1CC1 ZINC001029481944 746903426 /nfs/dbraw/zinc/90/34/26/746903426.db2.gz MTBVWWZLSOOETB-RDDKANTKSA-N 1 2 347.459 0.920 20 30 ECEDLO CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000984782340 746929092 /nfs/dbraw/zinc/92/90/92/746929092.db2.gz LBLOIYCPANUJFD-GXTWGEPZSA-N 1 2 340.387 0.961 20 30 ECEDLO C=C1CC(C)(C(=O)N2CC[C@H](n3cc(C[NH2+]CC(=O)NC)nn3)C2)C1 ZINC001098716077 747179164 /nfs/dbraw/zinc/17/91/64/747179164.db2.gz PGSTYTNBTCIHRU-AWEZNQCLSA-N 1 2 346.435 0.243 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC[C@H](CCNC(=O)Cc3c[nH]c[nH+]3)C2)[nH]1 ZINC001059490240 747401584 /nfs/dbraw/zinc/40/15/84/747401584.db2.gz YRUDCPCCTUSALQ-LBPRGKRZSA-N 1 2 340.387 0.821 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C)[nH]3)CC[C@@H]2C1 ZINC001088113108 747411597 /nfs/dbraw/zinc/41/15/97/747411597.db2.gz OIUWTRDKVVCGRQ-QXSJWSMHSA-N 1 2 345.447 0.985 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C)[nH]3)CC[C@@H]2C1 ZINC001088113108 747411599 /nfs/dbraw/zinc/41/15/99/747411599.db2.gz OIUWTRDKVVCGRQ-QXSJWSMHSA-N 1 2 345.447 0.985 20 30 ECEDLO C[C@@H]([NH2+]Cc1cnsn1)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CCO1 ZINC000979290530 747521731 /nfs/dbraw/zinc/52/17/31/747521731.db2.gz IXVZKAMYXSGJMR-QMTHXVAHSA-N 1 2 346.416 0.757 20 30 ECEDLO Cc1noc(C[NH2+][C@H](C)[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CCO2)n1 ZINC000979291539 747524699 /nfs/dbraw/zinc/52/46/99/747524699.db2.gz KGQUFGVUEHVFOX-YGRLFVJLSA-N 1 2 344.375 0.597 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1)C(=O)c1c[nH]c(C#N)c1 ZINC001002649194 747617109 /nfs/dbraw/zinc/61/71/09/747617109.db2.gz QMNUPBBAKQDNBF-OAHLLOKOSA-N 1 2 340.387 0.846 20 30 ECEDLO 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C=CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001007670728 752754740 /nfs/dbraw/zinc/75/47/40/752754740.db2.gz DDONAZCFZJMXEW-GOSISDBHSA-N 1 2 346.431 0.925 20 30 ECEDLO C=C1CC(C)(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4C[N@H+](C)CCO4)[C@@H]3C2)C1 ZINC001021292972 752756809 /nfs/dbraw/zinc/75/68/09/752756809.db2.gz ACYGCBVOURDEFH-XHSDSOJGSA-N 1 2 347.459 0.733 20 30 ECEDLO C=C1CC(C)(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4C[N@@H+](C)CCO4)[C@@H]3C2)C1 ZINC001021292972 752756812 /nfs/dbraw/zinc/75/68/12/752756812.db2.gz ACYGCBVOURDEFH-XHSDSOJGSA-N 1 2 347.459 0.733 20 30 ECEDLO COCCN(CCNC(=O)Cc1c[nH+]cn1C)c1ncccc1C#N ZINC001126373243 752816482 /nfs/dbraw/zinc/81/64/82/752816482.db2.gz REOOGFCTGIJTQN-UHFFFAOYSA-N 1 2 342.403 0.498 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)/C=C\c2ccc[nH]2)[C@H](OC)C1 ZINC001212170436 762160595 /nfs/dbraw/zinc/16/05/95/762160595.db2.gz ZRCUEUKDILXQGU-YOVCOIKASA-N 1 2 332.404 0.146 20 30 ECEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)/C=C\c2ccc[nH]2)[C@H](OC)C1 ZINC001212170436 762160600 /nfs/dbraw/zinc/16/06/00/762160600.db2.gz ZRCUEUKDILXQGU-YOVCOIKASA-N 1 2 332.404 0.146 20 30 ECEDLO C=CC(C)(C)CC(=O)N1CC[C@@H](n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001098679275 752911598 /nfs/dbraw/zinc/91/15/98/752911598.db2.gz XBZJUUHCKLKLTC-CQSZACIVSA-N 1 2 348.451 0.489 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000937262656 753264857 /nfs/dbraw/zinc/26/48/57/753264857.db2.gz KMIHPSMCNHZINE-KFWWJZLASA-N 1 2 346.431 0.993 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3csnn3)C2)C1=O ZINC001008086619 753291117 /nfs/dbraw/zinc/29/11/17/753291117.db2.gz FMFBDAOMRQYFFN-YPMHNXCESA-N 1 2 335.433 0.519 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3csnn3)C2)C1=O ZINC001008086619 753291120 /nfs/dbraw/zinc/29/11/20/753291120.db2.gz FMFBDAOMRQYFFN-YPMHNXCESA-N 1 2 335.433 0.519 20 30 ECEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)ccc1F ZINC001008182234 753434779 /nfs/dbraw/zinc/43/47/79/753434779.db2.gz KFTWFKORTVFHQO-LSDHHAIUSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1cc(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3CCNC3=O)C2)ccc1F ZINC001008182234 753434783 /nfs/dbraw/zinc/43/47/83/753434783.db2.gz KFTWFKORTVFHQO-LSDHHAIUSA-N 1 2 344.390 0.914 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000982739473 753449462 /nfs/dbraw/zinc/44/94/62/753449462.db2.gz MXZBTQLUOHENJP-HZPDHXFCSA-N 1 2 340.427 0.824 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)Cn3cccn3)[C@@H](O)C2)s1 ZINC001083339763 753609331 /nfs/dbraw/zinc/60/93/31/753609331.db2.gz AFRWTZCLRFXVKU-KGLIPLIRSA-N 1 2 331.401 0.178 20 30 ECEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)Cn3cccn3)[C@@H](O)C2)s1 ZINC001083339763 753609334 /nfs/dbraw/zinc/60/93/34/753609334.db2.gz AFRWTZCLRFXVKU-KGLIPLIRSA-N 1 2 331.401 0.178 20 30 ECEDLO N#CCNCc1cn([C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)nn1 ZINC001098681684 753641247 /nfs/dbraw/zinc/64/12/47/753641247.db2.gz WJPPBXKNIZHXQR-AWEZNQCLSA-N 1 2 328.380 0.021 20 30 ECEDLO N#CCNCc1cn([C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)nn1 ZINC001098681684 753641253 /nfs/dbraw/zinc/64/12/53/753641253.db2.gz WJPPBXKNIZHXQR-AWEZNQCLSA-N 1 2 328.380 0.021 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC[C@H]3CCOC3)C2)nn1 ZINC001098649221 753652273 /nfs/dbraw/zinc/65/22/73/753652273.db2.gz MSGXKRCLNRLRDC-GOEBONIOSA-N 1 2 331.420 0.591 20 30 ECEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)ccc1F ZINC001008362996 753657785 /nfs/dbraw/zinc/65/77/85/753657785.db2.gz CIMXOVMWUFFQGT-HIFRSBDPSA-N 1 2 345.378 0.459 20 30 ECEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)ccc1F ZINC001008362996 753657788 /nfs/dbraw/zinc/65/77/88/753657788.db2.gz CIMXOVMWUFFQGT-HIFRSBDPSA-N 1 2 345.378 0.459 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)[C@H]1C ZINC001088676591 753674184 /nfs/dbraw/zinc/67/41/84/753674184.db2.gz LCZPVMMHTGRZFL-WOPDTQHZSA-N 1 2 339.827 0.878 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)[C@H]1C ZINC001088676591 753674188 /nfs/dbraw/zinc/67/41/88/753674188.db2.gz LCZPVMMHTGRZFL-WOPDTQHZSA-N 1 2 339.827 0.878 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CC3=CCCCC3)[C@@H](O)C2)C1=O ZINC001083373354 753715731 /nfs/dbraw/zinc/71/57/31/753715731.db2.gz ALICANMVNNPUQZ-ZACQAIPSSA-N 1 2 347.459 0.825 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CC3=CCCCC3)[C@@H](O)C2)C1=O ZINC001083373354 753715732 /nfs/dbraw/zinc/71/57/32/753715732.db2.gz ALICANMVNNPUQZ-ZACQAIPSSA-N 1 2 347.459 0.825 20 30 ECEDLO C=CCCOCC(=O)NCC[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001059972461 753743354 /nfs/dbraw/zinc/74/33/54/753743354.db2.gz MUPNMICPTGJKKU-HNNXBMFYSA-N 1 2 348.447 0.910 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3CC3)C2)c1 ZINC001008469411 753773344 /nfs/dbraw/zinc/77/33/44/753773344.db2.gz RHUFYKNTCKTZAB-GUYCJALGSA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)c1 ZINC001008469411 753773348 /nfs/dbraw/zinc/77/33/48/753773348.db2.gz RHUFYKNTCKTZAB-GUYCJALGSA-N 1 2 340.427 0.924 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ncc(F)cc3F)C2)nn1 ZINC001098685979 753802004 /nfs/dbraw/zinc/80/20/04/753802004.db2.gz WDFLGLPGUADXEM-ZDUSSCGKSA-N 1 2 346.341 0.761 20 30 ECEDLO C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CN(CC)CCO3)C2)nn1 ZINC001105375940 753851425 /nfs/dbraw/zinc/85/14/25/753851425.db2.gz WAKCOZLQJAYRGF-MRXNPFEDSA-N 1 2 348.451 0.048 20 30 ECEDLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001008547547 753899140 /nfs/dbraw/zinc/89/91/40/753899140.db2.gz OPZYLJPYCDTAAQ-BBWFWOEESA-N 1 2 343.402 0.879 20 30 ECEDLO NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001008547547 753899151 /nfs/dbraw/zinc/89/91/51/753899151.db2.gz OPZYLJPYCDTAAQ-BBWFWOEESA-N 1 2 343.402 0.879 20 30 ECEDLO C=CCOCCCC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000080178547 753954382 /nfs/dbraw/zinc/95/43/82/753954382.db2.gz DXQNTEJMMJDAKK-UHFFFAOYSA-N 1 2 332.466 0.594 20 30 ECEDLO C=CCn1cc(C(=O)N2C[C@H]([NH2+]Cc3nnc(C)o3)C[C@@H]2C)nn1 ZINC000989535564 754078137 /nfs/dbraw/zinc/07/81/37/754078137.db2.gz CAHVWNBNJJRIHC-CMPLNLGQSA-N 1 2 331.380 0.548 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+]([C@H](C)C(=O)NC3CC3)C2)nn1 ZINC001008800175 754131551 /nfs/dbraw/zinc/13/15/51/754131551.db2.gz OIPMYBIWRDHQGB-TZMCWYRMSA-N 1 2 346.435 0.325 20 30 ECEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)C(=O)NC3CC3)C2)nn1 ZINC001008800175 754131556 /nfs/dbraw/zinc/13/15/56/754131556.db2.gz OIPMYBIWRDHQGB-TZMCWYRMSA-N 1 2 346.435 0.325 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NC)C2)nn1 ZINC001008824092 754162124 /nfs/dbraw/zinc/16/21/24/754162124.db2.gz KEJPYMAXXASTPB-QWHCGFSZSA-N 1 2 334.424 0.183 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC)C2)nn1 ZINC001008824092 754162128 /nfs/dbraw/zinc/16/21/28/754162128.db2.gz KEJPYMAXXASTPB-QWHCGFSZSA-N 1 2 334.424 0.183 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3ccnc(C)n3)CC2)C1=O ZINC000989689646 754314101 /nfs/dbraw/zinc/31/41/01/754314101.db2.gz QNYXVQBJQGBGNL-MRXNPFEDSA-N 1 2 343.431 0.720 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3ccnc(C)n3)CC2)C1=O ZINC000989689646 754314103 /nfs/dbraw/zinc/31/41/03/754314103.db2.gz QNYXVQBJQGBGNL-MRXNPFEDSA-N 1 2 343.431 0.720 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cccnn3)C2)C1=O ZINC001008946362 754344399 /nfs/dbraw/zinc/34/43/99/754344399.db2.gz RIAFQRXOHGRAIK-UKRRQHHQSA-N 1 2 329.404 0.458 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cccnn3)C2)C1=O ZINC001008946362 754344405 /nfs/dbraw/zinc/34/44/05/754344405.db2.gz RIAFQRXOHGRAIK-UKRRQHHQSA-N 1 2 329.404 0.458 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)nc1 ZINC001009266994 754723958 /nfs/dbraw/zinc/72/39/58/754723958.db2.gz BUOKGVCHZKQIHX-HIFRSBDPSA-N 1 2 340.383 0.062 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCC(=O)NC3=O)C2)nc1 ZINC001009266994 754723959 /nfs/dbraw/zinc/72/39/59/754723959.db2.gz BUOKGVCHZKQIHX-HIFRSBDPSA-N 1 2 340.383 0.062 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3CC3)C2)nc1 ZINC001009268458 754724669 /nfs/dbraw/zinc/72/46/69/754724669.db2.gz JGEGLDHRJZEXNV-XJKSGUPXSA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)nc1 ZINC001009268458 754724670 /nfs/dbraw/zinc/72/46/70/754724670.db2.gz JGEGLDHRJZEXNV-XJKSGUPXSA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]([C@H](C)C(=O)NC3CC3)C2)cn1 ZINC001009278832 754737892 /nfs/dbraw/zinc/73/78/92/754737892.db2.gz WTCMWOJQBBVUIU-CXAGYDPISA-N 1 2 340.427 0.924 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)C(=O)NC3CC3)C2)cn1 ZINC001009278832 754737894 /nfs/dbraw/zinc/73/78/94/754737894.db2.gz WTCMWOJQBBVUIU-CXAGYDPISA-N 1 2 340.427 0.924 20 30 ECEDLO N#Cc1cc(C(=O)N2CCO[C@H](C[NH2+]Cc3csnn3)C2)c[nH]1 ZINC001051561979 762343188 /nfs/dbraw/zinc/34/31/88/762343188.db2.gz DNAQNOFJLXKOFN-CYBMUJFWSA-N 1 2 332.389 0.369 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC([NH2+]Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000990262501 754905471 /nfs/dbraw/zinc/90/54/71/754905471.db2.gz QANBZSAKWSRWFW-LLVKDONJSA-N 1 2 328.376 0.263 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000990430490 755161314 /nfs/dbraw/zinc/16/13/14/755161314.db2.gz JGYDWVRNIXRBQS-MFKMUULPSA-N 1 2 326.360 0.571 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H]2C)nc1 ZINC000990438771 755183419 /nfs/dbraw/zinc/18/34/19/755183419.db2.gz XLGKHYCOMBOARA-DOMZBBRYSA-N 1 2 337.383 0.748 20 30 ECEDLO N#Cc1c(Cl)nsc1NC[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001105883700 762380754 /nfs/dbraw/zinc/38/07/54/762380754.db2.gz XPCUSCRTUJECAR-MRVPVSSYSA-N 1 2 340.796 0.454 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@@H]1O ZINC001083470717 755314790 /nfs/dbraw/zinc/31/47/90/755314790.db2.gz JDNKOIILYLFGIN-WCVJEAGWSA-N 1 2 349.431 0.934 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@@H]1O ZINC001083470717 755314793 /nfs/dbraw/zinc/31/47/93/755314793.db2.gz JDNKOIILYLFGIN-WCVJEAGWSA-N 1 2 349.431 0.934 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2nnnn2C)C1 ZINC001028855546 755318885 /nfs/dbraw/zinc/31/88/85/755318885.db2.gz GVZXCDIKNBTLJD-DZKIICNBSA-N 1 2 348.451 0.520 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2nnnn2C)C1 ZINC001028855546 755318893 /nfs/dbraw/zinc/31/88/93/755318893.db2.gz GVZXCDIKNBTLJD-DZKIICNBSA-N 1 2 348.451 0.520 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)c2ccc[nH]2)[C@H](OC)C1 ZINC001211842667 755434581 /nfs/dbraw/zinc/43/45/81/755434581.db2.gz YRUUSUWQLWVLDT-HZPDHXFCSA-N 1 2 346.431 0.644 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)c2ccc[nH]2)[C@H](OC)C1 ZINC001211842667 755434583 /nfs/dbraw/zinc/43/45/83/755434583.db2.gz YRUUSUWQLWVLDT-HZPDHXFCSA-N 1 2 346.431 0.644 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cc(C)ncn3)C2)nn1 ZINC001098655739 755643131 /nfs/dbraw/zinc/64/31/31/755643131.db2.gz JQHFUNOXGXTZFQ-CQSZACIVSA-N 1 2 325.376 0.187 20 30 ECEDLO Cn1cc[nH+]c1CCC(=O)N1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000990699495 755647002 /nfs/dbraw/zinc/64/70/02/755647002.db2.gz NSSRNKGNJFSACJ-UHFFFAOYSA-N 1 2 326.360 0.193 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)c1 ZINC000990703070 755653392 /nfs/dbraw/zinc/65/33/92/755653392.db2.gz HRTIFYWGYFEXHN-LBPRGKRZSA-N 1 2 338.371 0.286 20 30 ECEDLO N#Cc1c[nH]c(C(=O)NC2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)c1 ZINC000990704063 755653771 /nfs/dbraw/zinc/65/37/71/755653771.db2.gz PAYARDBRTOHTEI-LBPRGKRZSA-N 1 2 338.371 0.286 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cncc(F)c3)C2)nn1 ZINC001098657068 755698744 /nfs/dbraw/zinc/69/87/44/755698744.db2.gz TXIPQVOOCCEUGA-HNNXBMFYSA-N 1 2 328.351 0.622 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@@H]1O ZINC001083535868 755976198 /nfs/dbraw/zinc/97/61/98/755976198.db2.gz QZEXHZIJNQBVHN-SQNIBIBYSA-N 1 2 345.418 0.585 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@@H]1O ZINC001083535868 755976202 /nfs/dbraw/zinc/97/62/02/755976202.db2.gz QZEXHZIJNQBVHN-SQNIBIBYSA-N 1 2 345.418 0.585 20 30 ECEDLO C[C@H]1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001010326542 756001214 /nfs/dbraw/zinc/00/12/14/756001214.db2.gz AWFZQQGDGDYEOF-RYUDHWBXSA-N 1 2 340.387 0.819 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)c(F)c1 ZINC001010381301 756063837 /nfs/dbraw/zinc/06/38/37/756063837.db2.gz PJSWCPHDQZJWAX-UKRRQHHQSA-N 1 2 330.363 0.666 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3)C2)c(F)c1 ZINC001010381301 756063844 /nfs/dbraw/zinc/06/38/44/756063844.db2.gz PJSWCPHDQZJWAX-UKRRQHHQSA-N 1 2 330.363 0.666 20 30 ECEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001010548254 756228423 /nfs/dbraw/zinc/22/84/23/756228423.db2.gz XIQJSAMRVXUDLB-BBRMVZONSA-N 1 2 326.400 0.775 20 30 ECEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001010548254 756228425 /nfs/dbraw/zinc/22/84/25/756228425.db2.gz XIQJSAMRVXUDLB-BBRMVZONSA-N 1 2 326.400 0.775 20 30 ECEDLO O=C(C#CC1CC1)N1CC2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001010649953 756350453 /nfs/dbraw/zinc/35/04/53/756350453.db2.gz XOHCMJLHGSJLIE-UHFFFAOYSA-N 1 2 326.400 0.748 20 30 ECEDLO COc1cc[nH+]cc1CC(=O)N1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000990868653 756432135 /nfs/dbraw/zinc/43/21/35/756432135.db2.gz PUJQAAPWJKMEFJ-UHFFFAOYSA-N 1 2 339.355 0.473 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC3(OC)CCC3)C2)nn1 ZINC001098663539 756576382 /nfs/dbraw/zinc/57/63/82/756576382.db2.gz FWTIINMEWXUKKI-OAHLLOKOSA-N 1 2 331.420 0.734 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCCC2(CN(C(=O)[C@H](C)C#N)C2)C1 ZINC001010831058 756578689 /nfs/dbraw/zinc/57/86/89/756578689.db2.gz RZIRRSVFUYIKLM-GFCCVEGCSA-N 1 2 329.404 0.871 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001011028502 756791024 /nfs/dbraw/zinc/79/10/24/756791024.db2.gz BCMRKSJVFVRWGY-GFCCVEGCSA-N 1 2 340.387 0.773 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001011028502 756791025 /nfs/dbraw/zinc/79/10/25/756791025.db2.gz BCMRKSJVFVRWGY-GFCCVEGCSA-N 1 2 340.387 0.773 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)no1 ZINC001076718958 756921536 /nfs/dbraw/zinc/92/15/36/756921536.db2.gz XWXWKJVODSDPKX-HZPDHXFCSA-N 1 2 326.356 0.830 20 30 ECEDLO Cc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)no1 ZINC001076718958 756921540 /nfs/dbraw/zinc/92/15/40/756921540.db2.gz XWXWKJVODSDPKX-HZPDHXFCSA-N 1 2 326.356 0.830 20 30 ECEDLO Cn1cnnc1C[N@H+]1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C1 ZINC001048771159 756944159 /nfs/dbraw/zinc/94/41/59/756944159.db2.gz CXEMGUUEBWCYOC-TXEJJXNPSA-N 1 2 325.376 0.219 20 30 ECEDLO Cn1cnnc1C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C1 ZINC001048771159 756944167 /nfs/dbraw/zinc/94/41/67/756944167.db2.gz CXEMGUUEBWCYOC-TXEJJXNPSA-N 1 2 325.376 0.219 20 30 ECEDLO C=CCCC(=O)NCc1cn(C2C[NH+](CCc3cnn(C)c3)C2)nn1 ZINC001107142630 757011707 /nfs/dbraw/zinc/01/17/07/757011707.db2.gz MZXWRIMMKRDEFH-UHFFFAOYSA-N 1 2 343.435 0.693 20 30 ECEDLO C[C@H](C#N)C(=O)NCc1cn(C2C[NH+](CCOC3CCC3)C2)nn1 ZINC001107149646 757052108 /nfs/dbraw/zinc/05/21/08/757052108.db2.gz MIGRMXJZNJSMMD-GFCCVEGCSA-N 1 2 332.408 0.480 20 30 ECEDLO C[C@H](C#N)C(=O)NCc1cn(C2C[NH+](C[C@H]3CCCCO3)C2)nn1 ZINC001107149836 757052900 /nfs/dbraw/zinc/05/29/00/757052900.db2.gz SBNOICULPOFBHV-IUODEOHRSA-N 1 2 332.408 0.480 20 30 ECEDLO N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3cnsn3)C2)c1 ZINC001076767131 757053451 /nfs/dbraw/zinc/05/34/51/757053451.db2.gz SBCQDWOSCBTMCX-ZIAGYGMSSA-N 1 2 329.385 0.385 20 30 ECEDLO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3cnsn3)C2)c1 ZINC001076767131 757053468 /nfs/dbraw/zinc/05/34/68/757053468.db2.gz SBCQDWOSCBTMCX-ZIAGYGMSSA-N 1 2 329.385 0.385 20 30 ECEDLO C[C@H](CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C#CC2CC2)C1)n1cc[nH+]c1 ZINC001048824831 757116588 /nfs/dbraw/zinc/11/65/88/757116588.db2.gz MNVVEUJFYVHQAG-KBMXLJTQSA-N 1 2 344.415 0.278 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1O)[C@H]1CCOC1 ZINC001076791891 757131453 /nfs/dbraw/zinc/13/14/53/757131453.db2.gz LJVIJLPCNGYMII-USXIJHARSA-N 1 2 332.375 0.375 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1O)[C@H]1CCOC1 ZINC001076791891 757131462 /nfs/dbraw/zinc/13/14/62/757131462.db2.gz LJVIJLPCNGYMII-USXIJHARSA-N 1 2 332.375 0.375 20 30 ECEDLO CN(C(=O)C#CC(C)(C)C)[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1O ZINC001048832592 757137169 /nfs/dbraw/zinc/13/71/69/757137169.db2.gz OTHULSRTNAOMLP-GJZGRUSLSA-N 1 2 346.431 0.353 20 30 ECEDLO C=C(C)[C@@H](CC(=O)NCc1cn(C2C[NH+](CCO)C2)nn1)OCC ZINC001107176750 757256240 /nfs/dbraw/zinc/25/62/40/757256240.db2.gz LLWRCIXBZWHTCM-OAHLLOKOSA-N 1 2 337.424 0.115 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](OCC)C3CC3)nn2)C1 ZINC001107173003 757276284 /nfs/dbraw/zinc/27/62/84/757276284.db2.gz WVAPNLOOONOPHK-INIZCTEOSA-N 1 2 331.420 0.589 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H](C)NC(=O)CC)nn2)C1 ZINC001107174698 757289274 /nfs/dbraw/zinc/28/92/74/757289274.db2.gz XRDLFEJVRLXFPF-GFCCVEGCSA-N 1 2 334.424 0.242 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3C(C)(C)C3(C)C)C2)C1=O ZINC001076851507 757347078 /nfs/dbraw/zinc/34/70/78/757347078.db2.gz OLFCZHRLKYSKPJ-HZSPNIEDSA-N 1 2 349.475 0.617 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3C(C)(C)C3(C)C)C2)C1=O ZINC001076851507 757347082 /nfs/dbraw/zinc/34/70/82/757347082.db2.gz OLFCZHRLKYSKPJ-HZSPNIEDSA-N 1 2 349.475 0.617 20 30 ECEDLO C=CC(C)(C)CC(=O)N(C)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1O ZINC001048912930 757383223 /nfs/dbraw/zinc/38/32/23/757383223.db2.gz QXGFMDNVRKCMAK-GJZGRUSLSA-N 1 2 348.447 0.595 20 30 ECEDLO C=CCn1cccc1C(=O)N1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001011281587 757396788 /nfs/dbraw/zinc/39/67/88/757396788.db2.gz FTLVLKJBJUOXPX-UHFFFAOYSA-N 1 2 341.415 0.935 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H](C)CO3)nn2)C1 ZINC001107187831 757418106 /nfs/dbraw/zinc/41/81/06/757418106.db2.gz KAFSTPWFFLYOEZ-BBRMVZONSA-N 1 2 349.435 0.379 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](C)NC(=O)C(C)(C)C)nn2)C1 ZINC001107190937 757442346 /nfs/dbraw/zinc/44/23/46/757442346.db2.gz IQDLRGAENVYNDN-LBPRGKRZSA-N 1 2 348.451 0.488 20 30 ECEDLO COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cn1 ZINC001076896993 757512463 /nfs/dbraw/zinc/51/24/63/757512463.db2.gz CJWXAZFIAPPSSF-HUUCEWRRSA-N 1 2 341.371 0.265 20 30 ECEDLO COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)cn1 ZINC001076896993 757512468 /nfs/dbraw/zinc/51/24/68/757512468.db2.gz CJWXAZFIAPPSSF-HUUCEWRRSA-N 1 2 341.371 0.265 20 30 ECEDLO CCn1ncc(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)n1 ZINC001076967813 757771299 /nfs/dbraw/zinc/77/12/99/757771299.db2.gz BBRPREVNVIDUDF-HZPDHXFCSA-N 1 2 340.387 0.145 20 30 ECEDLO CCn1ncc(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)n1 ZINC001076967813 757771301 /nfs/dbraw/zinc/77/13/01/757771301.db2.gz BBRPREVNVIDUDF-HZPDHXFCSA-N 1 2 340.387 0.145 20 30 ECEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)c3ccnnc3)nn2)C1 ZINC001107214196 757777797 /nfs/dbraw/zinc/77/77/97/757777797.db2.gz PUDZAHWNMIIIEI-UHFFFAOYSA-N 1 2 343.391 0.057 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCc3cnccn3)nn2)C1 ZINC001107226356 757880883 /nfs/dbraw/zinc/88/08/83/757880883.db2.gz QZWVFOIKOAGSNY-UHFFFAOYSA-N 1 2 327.392 0.360 20 30 ECEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)c3cccnc3)nn2)C1 ZINC001107230544 757938720 /nfs/dbraw/zinc/93/87/20/757938720.db2.gz MVEJRTQIXWCTNW-CQSZACIVSA-N 1 2 338.415 0.973 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cnoc2C)C[C@H]1O ZINC001077019202 757949981 /nfs/dbraw/zinc/94/99/81/757949981.db2.gz NAPFOSSQAKZZIW-FPCVCCKLSA-N 1 2 335.404 0.626 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cnoc2C)C[C@H]1O ZINC001077019202 757949984 /nfs/dbraw/zinc/94/99/84/757949984.db2.gz NAPFOSSQAKZZIW-FPCVCCKLSA-N 1 2 335.404 0.626 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cc(C)no2)C[C@H]1O ZINC001077019011 757950116 /nfs/dbraw/zinc/95/01/16/757950116.db2.gz ILNTZJLEEYTHBE-FPCVCCKLSA-N 1 2 335.404 0.626 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)no2)C[C@H]1O ZINC001077019011 757950119 /nfs/dbraw/zinc/95/01/19/757950119.db2.gz ILNTZJLEEYTHBE-FPCVCCKLSA-N 1 2 335.404 0.626 20 30 ECEDLO C=CC[NH+]1CC(n2cc(CNC(=O)COC[C@H]3CCCO3)nn2)C1 ZINC001107242806 758001289 /nfs/dbraw/zinc/00/12/89/758001289.db2.gz ZNJIHRGRHSEOPP-OAHLLOKOSA-N 1 2 335.408 0.133 20 30 ECEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)Cn3ccccc3=O)nn2)C1 ZINC001107234483 758016830 /nfs/dbraw/zinc/01/68/30/758016830.db2.gz DZOZYCQDVIBHCG-UHFFFAOYSA-N 1 2 342.403 0.189 20 30 ECEDLO N#Cc1nccc(NC/C=C\CNC(=O)CCCn2cc[nH+]c2)n1 ZINC001107237434 758028723 /nfs/dbraw/zinc/02/87/23/758028723.db2.gz LQWGGUXCUZSLHV-UPHRSURJSA-N 1 2 325.376 0.531 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC001049159333 758169487 /nfs/dbraw/zinc/16/94/87/758169487.db2.gz JESWOGCFPIDZLR-KBPBESRZSA-N 1 2 334.420 0.516 20 30 ECEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)[C@H](C)OC)CC2)C1 ZINC001105690675 758382464 /nfs/dbraw/zinc/38/24/64/758382464.db2.gz WPKDJBUXRNJXHJ-AWEZNQCLSA-N 1 2 326.437 0.916 20 30 ECEDLO O=C(Cc1cncs1)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077180827 758456837 /nfs/dbraw/zinc/45/68/37/758456837.db2.gz RVOLSNGQHOJXSJ-IAGOWNOFSA-N 1 2 341.436 0.899 20 30 ECEDLO O=C(Cc1cncs1)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O ZINC001077180827 758456843 /nfs/dbraw/zinc/45/68/43/758456843.db2.gz RVOLSNGQHOJXSJ-IAGOWNOFSA-N 1 2 341.436 0.899 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nc(C)no2)CC1 ZINC000996683421 758464405 /nfs/dbraw/zinc/46/44/05/758464405.db2.gz CKFOJQNSRHTXOM-HNNXBMFYSA-N 1 2 331.420 0.556 20 30 ECEDLO C#CCN1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nc(C)no2)CC1 ZINC000996683421 758464415 /nfs/dbraw/zinc/46/44/15/758464415.db2.gz CKFOJQNSRHTXOM-HNNXBMFYSA-N 1 2 331.420 0.556 20 30 ECEDLO O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)c1cnc[nH]c1=O ZINC001077200427 758510468 /nfs/dbraw/zinc/51/04/68/758510468.db2.gz RJDHCYWPDNLIMO-HZPDHXFCSA-N 1 2 338.367 0.009 20 30 ECEDLO O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)c1cnc[nH]c1=O ZINC001077200427 758510470 /nfs/dbraw/zinc/51/04/70/758510470.db2.gz RJDHCYWPDNLIMO-HZPDHXFCSA-N 1 2 338.367 0.009 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(cc[nH]c3=O)n2)C1 ZINC001077261999 758622933 /nfs/dbraw/zinc/62/29/33/758622933.db2.gz WSTQBBCZFUDWBT-HUUCEWRRSA-N 1 2 326.356 0.134 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c(cc[nH]c3=O)n2)C1 ZINC001077261999 758622941 /nfs/dbraw/zinc/62/29/41/758622941.db2.gz WSTQBBCZFUDWBT-HUUCEWRRSA-N 1 2 326.356 0.134 20 30 ECEDLO C#Cc1cncc(C(=O)N2CC[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)c1 ZINC001022635454 758974817 /nfs/dbraw/zinc/97/48/17/758974817.db2.gz SUBRWTUEHKVJKN-DOTOQJQBSA-N 1 2 349.394 0.633 20 30 ECEDLO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H]2C)nc1 ZINC001011935972 758997260 /nfs/dbraw/zinc/99/72/60/758997260.db2.gz IMCSQIZVCMNUMN-DZGCQCFKSA-N 1 2 337.383 0.679 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1cn(C)nn1 ZINC001049734541 759146799 /nfs/dbraw/zinc/14/67/99/759146799.db2.gz FCYIHNKEVPSWOU-VQHPVUNQSA-N 1 2 345.447 0.972 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cn(C)nn1 ZINC001049734541 759146801 /nfs/dbraw/zinc/14/68/01/759146801.db2.gz FCYIHNKEVPSWOU-VQHPVUNQSA-N 1 2 345.447 0.972 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001022842399 759165780 /nfs/dbraw/zinc/16/57/80/759165780.db2.gz LMRFTLHSIDVZOZ-XZDPQHSOSA-N 1 2 344.415 0.603 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001014440260 762691630 /nfs/dbraw/zinc/69/16/30/762691630.db2.gz WFZVXKUBROVMJW-LLVKDONJSA-N 1 2 327.812 0.715 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001014440260 762691633 /nfs/dbraw/zinc/69/16/33/762691633.db2.gz WFZVXKUBROVMJW-LLVKDONJSA-N 1 2 327.812 0.715 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C)c1 ZINC001012103539 759416425 /nfs/dbraw/zinc/41/64/25/759416425.db2.gz ZCMUBQQVMLYIRF-LRDDRELGSA-N 1 2 337.383 0.748 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N1CCC(OC2C[NH+](CCOC)C2)CC1 ZINC001105704393 759532789 /nfs/dbraw/zinc/53/27/89/759532789.db2.gz VBRCHYAECCHGQT-KRWDZBQOSA-N 1 2 326.437 0.652 20 30 ECEDLO C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)[C@H]1CCN(C(=O)CSCC#N)C1 ZINC001050097556 759695979 /nfs/dbraw/zinc/69/59/79/759695979.db2.gz JENCYFROMQJGQK-OLZOCXBDSA-N 1 2 349.460 0.952 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2cc(=O)n3[nH]ccc3n2)C(C)(C)C1 ZINC000995584095 759835574 /nfs/dbraw/zinc/83/55/74/759835574.db2.gz SHCXRDUYSVRYGQ-AAEUAGOBSA-N 1 2 342.403 0.509 20 30 ECEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](OCC)C3CC3)C2)nn1 ZINC001098672796 760000051 /nfs/dbraw/zinc/00/00/51/760000051.db2.gz JBZBNVZYYARVRW-IAGOWNOFSA-N 1 2 345.447 0.980 20 30 ECEDLO C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CN1C(=O)c1ccc(C#N)[nH]1 ZINC001012491629 760080227 /nfs/dbraw/zinc/08/02/27/760080227.db2.gz ZPIBUGIZPNQAFW-MFKMUULPSA-N 1 2 326.360 0.571 20 30 ECEDLO C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](CNc2ccnc(C#N)n2)C1 ZINC001048363468 760377840 /nfs/dbraw/zinc/37/78/40/760377840.db2.gz BQZGKZORTKFCFM-OCCSQVGLSA-N 1 2 339.403 0.775 20 30 ECEDLO C[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2CNc2cncc(C#N)n2)C1 ZINC001060225317 760483171 /nfs/dbraw/zinc/48/31/71/760483171.db2.gz NNGNUWOEMBUYGU-CABCVRRESA-N 1 2 344.419 0.472 20 30 ECEDLO C[N@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2CNc2cncc(C#N)n2)C1 ZINC001060225317 760483174 /nfs/dbraw/zinc/48/31/74/760483174.db2.gz NNGNUWOEMBUYGU-CABCVRRESA-N 1 2 344.419 0.472 20 30 ECEDLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CNc1ccnc(C#N)n1 ZINC001054417062 767967686 /nfs/dbraw/zinc/96/76/86/767967686.db2.gz AVHZUCWURHGZPP-CHWSQXEVSA-N 1 2 325.376 0.173 20 30 ECEDLO C#CCO[C@H](C)C(=O)NCC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001060232706 760729880 /nfs/dbraw/zinc/72/98/80/760729880.db2.gz FTGDACSZYNCRPR-ZIAGYGMSSA-N 1 2 332.404 0.345 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CC(Nc2ccnc(C#N)n2)C1 ZINC001127079994 760950436 /nfs/dbraw/zinc/95/04/36/760950436.db2.gz CGTTUJMOQNLSPW-DCBWTQNWSA-N 1 2 339.403 0.773 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CC(Nc2ccnc(C#N)n2)C1 ZINC001127079994 760950444 /nfs/dbraw/zinc/95/04/44/760950444.db2.gz CGTTUJMOQNLSPW-DCBWTQNWSA-N 1 2 339.403 0.773 20 30 ECEDLO C=CCn1cc(C(=O)N[C@H]2C[C@H](C)N(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001013041517 760987910 /nfs/dbraw/zinc/98/79/10/760987910.db2.gz DJTSGXFXAJUOGT-STQMWFEESA-N 1 2 343.391 0.080 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H](C)N(C(=O)Cn3cc[nH+]c3)C2)nc1 ZINC001013050622 761012876 /nfs/dbraw/zinc/01/28/76/761012876.db2.gz SBLSGOSKUWOEKP-ZFWWWQNUSA-N 1 2 337.383 0.679 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)c3nccs3)C[C@@H]2C1 ZINC001048725617 761049378 /nfs/dbraw/zinc/04/93/78/761049378.db2.gz UOXOGRRZHVINGM-RWMBFGLXSA-N 1 2 347.444 0.656 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)c3nccs3)C[C@@H]2C1 ZINC001048725617 761049387 /nfs/dbraw/zinc/04/93/87/761049387.db2.gz UOXOGRRZHVINGM-RWMBFGLXSA-N 1 2 347.444 0.656 20 30 ECEDLO C=CCN1CCOC[C@@H]1CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001050925073 761153286 /nfs/dbraw/zinc/15/32/86/761153286.db2.gz OCOBWCYNUIEWFM-XJKSGUPXSA-N 1 2 333.436 0.793 20 30 ECEDLO C=CCN1CCOC[C@@H]1CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001050925073 761153289 /nfs/dbraw/zinc/15/32/89/761153289.db2.gz OCOBWCYNUIEWFM-XJKSGUPXSA-N 1 2 333.436 0.793 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1OC ZINC001212148879 761272199 /nfs/dbraw/zinc/27/21/99/761272199.db2.gz SWWIVBKTZSNTJR-FVQBIDKESA-N 1 2 335.448 0.663 20 30 ECEDLO C#CCCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CC2)C[C@H]1OC ZINC001212148879 761272204 /nfs/dbraw/zinc/27/22/04/761272204.db2.gz SWWIVBKTZSNTJR-FVQBIDKESA-N 1 2 335.448 0.663 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc2nnnn2c1 ZINC001051023783 761353979 /nfs/dbraw/zinc/35/39/79/761353979.db2.gz WPIOFPPJEUNLFK-CQSZACIVSA-N 1 2 330.392 0.521 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccc2nnnn2c1 ZINC001051023783 761353985 /nfs/dbraw/zinc/35/39/85/761353985.db2.gz WPIOFPPJEUNLFK-CQSZACIVSA-N 1 2 330.392 0.521 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cc2c(=O)[nH]c(C)cn2n1 ZINC001051046078 761387042 /nfs/dbraw/zinc/38/70/42/761387042.db2.gz IKWNATBKWDSCJK-CYBMUJFWSA-N 1 2 345.403 0.338 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cc2c(=O)[nH]c(C)cn2n1 ZINC001051046078 761387048 /nfs/dbraw/zinc/38/70/48/761387048.db2.gz IKWNATBKWDSCJK-CYBMUJFWSA-N 1 2 345.403 0.338 20 30 ECEDLO C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cn(C)nc1[C@@H]1CCOC1 ZINC001051046457 761389151 /nfs/dbraw/zinc/38/91/51/761389151.db2.gz OBMJKADFORYXJK-CABCVRRESA-N 1 2 348.447 0.931 20 30 ECEDLO C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cn(C)nc1[C@@H]1CCOC1 ZINC001051046457 761389159 /nfs/dbraw/zinc/38/91/59/761389159.db2.gz OBMJKADFORYXJK-CABCVRRESA-N 1 2 348.447 0.931 20 30 ECEDLO CCc1nc(C#N)cc(N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H]2C)n1 ZINC001051068507 761432816 /nfs/dbraw/zinc/43/28/16/761432816.db2.gz LPNXMBQPNADSFR-RISCZKNCSA-N 1 2 339.403 0.960 20 30 ECEDLO C=CCN1CCOC[C@H]1CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001051075687 761445086 /nfs/dbraw/zinc/44/50/86/761445086.db2.gz MEAVEDHVXMNPKB-IAGOWNOFSA-N 1 2 337.464 0.633 20 30 ECEDLO C=CCN1CCOC[C@H]1CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001051075687 761445090 /nfs/dbraw/zinc/44/50/90/761445090.db2.gz MEAVEDHVXMNPKB-IAGOWNOFSA-N 1 2 337.464 0.633 20 30 ECEDLO Cc1cc(NC[C@@H](O)CNC(=O)CSCC#N)nc(C2CC2)[nH+]1 ZINC001105754957 761533493 /nfs/dbraw/zinc/53/34/93/761533493.db2.gz OAHXPJPHNVXBKU-GFCCVEGCSA-N 1 2 335.433 0.808 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2COCC[N@@H+]2C[C@H]2CCCOC2)nn1 ZINC001051156551 761579804 /nfs/dbraw/zinc/57/98/04/761579804.db2.gz UFIRXRDERZAXST-CABCVRRESA-N 1 2 349.435 0.321 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@H]2COCC[N@H+]2C[C@H]2CCCOC2)nn1 ZINC001051156551 761579812 /nfs/dbraw/zinc/57/98/12/761579812.db2.gz UFIRXRDERZAXST-CABCVRRESA-N 1 2 349.435 0.321 20 30 ECEDLO CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2c[nH]c(C#N)c2)C1=O ZINC001017491562 768055516 /nfs/dbraw/zinc/05/55/16/768055516.db2.gz WPKDYYSMVFDUEF-OWCLPIDISA-N 1 2 341.415 0.796 20 30 ECEDLO CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)c2c[nH]c(C#N)c2)C1=O ZINC001017491562 768055521 /nfs/dbraw/zinc/05/55/21/768055521.db2.gz WPKDYYSMVFDUEF-OWCLPIDISA-N 1 2 341.415 0.796 20 30 ECEDLO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+]Cc1nc(N(C)C)no1 ZINC001054588913 768057885 /nfs/dbraw/zinc/05/78/85/768057885.db2.gz UQLCBSOKUXLQKH-ZWNOBZJWSA-N 1 2 343.391 0.586 20 30 ECEDLO C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001051230270 761726557 /nfs/dbraw/zinc/72/65/57/761726557.db2.gz HLIQJSHJAISBPF-HOTGVXAUSA-N 1 2 339.436 0.017 20 30 ECEDLO C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001051230270 761726562 /nfs/dbraw/zinc/72/65/62/761726562.db2.gz HLIQJSHJAISBPF-HOTGVXAUSA-N 1 2 339.436 0.017 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC[C@@H](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC001060286792 761790318 /nfs/dbraw/zinc/79/03/18/761790318.db2.gz SMFYNGZEPIOUGD-ZIAGYGMSSA-N 1 2 331.420 0.867 20 30 ECEDLO C=CCOCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001051288182 761830586 /nfs/dbraw/zinc/83/05/86/761830586.db2.gz MKLVSUXJRJNIOX-HUUCEWRRSA-N 1 2 334.420 0.829 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(c3cc[nH+]c(C)n3)C[C@H]2O)cn1 ZINC001051712923 762768636 /nfs/dbraw/zinc/76/86/36/762768636.db2.gz OIGSYPRONFNIDE-JKSUJKDBSA-N 1 2 337.383 0.531 20 30 ECEDLO Cc1cc(N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](O)C2)c(C#N)cn1 ZINC001051791002 762975350 /nfs/dbraw/zinc/97/53/50/762975350.db2.gz ZHILMCBOXKUETK-GDBMZVCRSA-N 1 2 340.387 0.283 20 30 ECEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[C@H]3CCNC3=O)C2)c(F)c1 ZINC001014713868 763030704 /nfs/dbraw/zinc/03/07/04/763030704.db2.gz ZJUOGZJWFTVEOR-UKRRQHHQSA-N 1 2 344.390 0.914 20 30 ECEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C[C@H]3CCNC3=O)C2)c(F)c1 ZINC001014713868 763030708 /nfs/dbraw/zinc/03/07/08/763030708.db2.gz ZJUOGZJWFTVEOR-UKRRQHHQSA-N 1 2 344.390 0.914 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC001014730584 763049253 /nfs/dbraw/zinc/04/92/53/763049253.db2.gz DBRSDVIHMLMBGQ-HNNXBMFYSA-N 1 2 346.431 0.337 20 30 ECEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC001014730584 763049257 /nfs/dbraw/zinc/04/92/57/763049257.db2.gz DBRSDVIHMLMBGQ-HNNXBMFYSA-N 1 2 346.431 0.337 20 30 ECEDLO C=CC(C)(C)CC(=O)NC[C@@H](O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001105980493 763215645 /nfs/dbraw/zinc/21/56/45/763215645.db2.gz VHMRYFRDDWVXHV-GFCCVEGCSA-N 1 2 336.440 0.737 20 30 ECEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2O)CC1 ZINC000991755366 763267247 /nfs/dbraw/zinc/26/72/47/763267247.db2.gz OSHQAYLNOJFRLW-HOTGVXAUSA-N 1 2 346.431 0.777 20 30 ECEDLO C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001014878528 763356589 /nfs/dbraw/zinc/35/65/89/763356589.db2.gz BEDIVMVGCUOOMX-BXUZGUMPSA-N 1 2 340.387 0.961 20 30 ECEDLO Cc1ccnc(CN2CC[NH+]([C@@H]3CCN(C(=O)[C@H](C)C#N)C3)CC2)n1 ZINC001051997320 763547267 /nfs/dbraw/zinc/54/72/67/763547267.db2.gz ADKFCQUVKYCRAZ-GDBMZVCRSA-N 1 2 342.447 0.663 20 30 ECEDLO Cc1conc1CN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001051998124 763550324 /nfs/dbraw/zinc/55/03/24/763550324.db2.gz NNASMLVXEKVTJP-HIFRSBDPSA-N 1 2 331.420 0.861 20 30 ECEDLO CN1C(=O)CC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031916921 763559439 /nfs/dbraw/zinc/55/94/39/763559439.db2.gz IWMXULSMEPAVCS-MRXNPFEDSA-N 1 2 344.390 0.866 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@](C)(O)C3CC3)C2)CC1 ZINC001052011584 763582653 /nfs/dbraw/zinc/58/26/53/763582653.db2.gz VZFWPXAFJKJUCO-IEBWSBKVSA-N 1 2 333.476 0.779 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3COC(=O)C3)C2)CC1 ZINC001052012728 763583725 /nfs/dbraw/zinc/58/37/25/763583725.db2.gz KPWMNDFBUZDMGM-HOTGVXAUSA-N 1 2 333.432 0.181 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@H]3COC(=O)C3)C2)CC1 ZINC001052013177 763585132 /nfs/dbraw/zinc/58/51/32/763585132.db2.gz SFTJOBZOPQPQNA-HZPDHXFCSA-N 1 2 333.432 0.181 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)c3cc(=O)n(C)o3)C2)CC1 ZINC001052018686 763598670 /nfs/dbraw/zinc/59/86/70/763598670.db2.gz NORIYCAMXWUSQL-AWEZNQCLSA-N 1 2 334.420 0.387 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)CC3OCCCO3)C2)CC1 ZINC001052018880 763599235 /nfs/dbraw/zinc/59/92/35/763599235.db2.gz SHNROTINWRSHDR-MRXNPFEDSA-N 1 2 335.448 0.381 20 30 ECEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3ccnn3C)C2)CC1 ZINC001052020785 763602671 /nfs/dbraw/zinc/60/26/71/763602671.db2.gz JPVKVDRRTBTUCB-QGZVFWFLSA-N 1 2 329.448 0.204 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](O)C(C)C)C2)CC1 ZINC001052024783 763614153 /nfs/dbraw/zinc/61/41/53/763614153.db2.gz NAVCIAHAVQSWMO-HUUCEWRRSA-N 1 2 329.872 0.974 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ncccc3F)C2)nn1 ZINC001098757241 763614693 /nfs/dbraw/zinc/61/46/93/763614693.db2.gz JZKPKNOIMHCGML-CYBMUJFWSA-N 1 2 328.351 0.622 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3nn(C)cc3C)C2)CC1 ZINC001052025594 763617121 /nfs/dbraw/zinc/61/71/21/763617121.db2.gz HSYJAYPAYNUFGD-INIZCTEOSA-N 1 2 329.448 0.584 20 30 ECEDLO O=C(C#CC1CC1)N1CC[C@H]([NH+]2CCN(Cc3ccon3)CC2)C1 ZINC001052026583 763619502 /nfs/dbraw/zinc/61/95/02/763619502.db2.gz QPNXJRAJAOBFPK-KRWDZBQOSA-N 1 2 328.416 0.807 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(OC)ns3)C2)CC1 ZINC001052027521 763622474 /nfs/dbraw/zinc/62/24/74/763622474.db2.gz GYDPQNWLKLDZQS-ZDUSSCGKSA-N 1 2 334.445 0.617 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3c[nH]cc4ncnc3-4)C2)CC1 ZINC001052029748 763626435 /nfs/dbraw/zinc/62/64/35/763626435.db2.gz ATXJFVCCCAMTCL-CQSZACIVSA-N 1 2 338.415 0.423 20 30 ECEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cncc4nc[nH]c43)C2)CC1 ZINC001052029748 763626442 /nfs/dbraw/zinc/62/64/42/763626442.db2.gz ATXJFVCCCAMTCL-CQSZACIVSA-N 1 2 338.415 0.423 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCCO[C@H]3C=C)C2)CC1 ZINC001052030822 763630484 /nfs/dbraw/zinc/63/04/84/763630484.db2.gz WBUPCPRUBFNFIU-KSZLIROESA-N 1 2 331.460 0.819 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)Cc3ccn(CC)n3)C2)CC1 ZINC001052031855 763633247 /nfs/dbraw/zinc/63/32/47/763633247.db2.gz YWRMOAMOLMCHEI-SFHVURJKSA-N 1 2 343.475 0.687 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2nccn2CC)[C@H](OC)C1 ZINC001212185026 763637092 /nfs/dbraw/zinc/63/70/92/763637092.db2.gz LUWZBONICRDSQJ-MGPQQGTHSA-N 1 2 349.435 0.023 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2nccn2CC)[C@H](OC)C1 ZINC001212185026 763637094 /nfs/dbraw/zinc/63/70/94/763637094.db2.gz LUWZBONICRDSQJ-MGPQQGTHSA-N 1 2 349.435 0.023 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3cc(C4CC4)no3)C2)CC1 ZINC001052036209 763647721 /nfs/dbraw/zinc/64/77/21/763647721.db2.gz HRSOUBLPXJJGRK-MRXNPFEDSA-N 1 2 342.443 0.946 20 30 ECEDLO Cc1[nH]nc(Cl)c1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052036796 763651123 /nfs/dbraw/zinc/65/11/23/763651123.db2.gz VIJZJBVDSZSUHP-LBPRGKRZSA-N 1 2 336.827 0.727 20 30 ECEDLO Cc1cn(C(C)(C)C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)cn1 ZINC001052041281 763666653 /nfs/dbraw/zinc/66/66/53/763666653.db2.gz XTOYFWMEHQFTDE-INIZCTEOSA-N 1 2 344.463 0.669 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001052045735 763684174 /nfs/dbraw/zinc/68/41/74/763684174.db2.gz UCMDFQLNTNGPKI-STQMWFEESA-N 1 2 349.460 0.810 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn(CCF)c3)C2)CC1 ZINC001052045958 763685740 /nfs/dbraw/zinc/68/57/40/763685740.db2.gz YTNVWSFVASTPKK-KRWDZBQOSA-N 1 2 347.438 0.708 20 30 ECEDLO CCOc1nc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)co1 ZINC001052047504 763691069 /nfs/dbraw/zinc/69/10/69/763691069.db2.gz PBUCYLNDEAZZDB-CYBMUJFWSA-N 1 2 333.392 0.429 20 30 ECEDLO C#CCCN1CC[NH+]([C@H]2CCN(C(=O)CN3CCCCC3=O)C2)CC1 ZINC001052048433 763696623 /nfs/dbraw/zinc/69/66/23/763696623.db2.gz UEEYNMCUHMSGIE-KRWDZBQOSA-N 1 2 346.475 0.241 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@@H]3CCCC(=O)N3)C2)CC1 ZINC001052050745 763708485 /nfs/dbraw/zinc/70/84/85/763708485.db2.gz YNEOXXFECWTUPK-IRXDYDNUSA-N 1 2 346.475 0.287 20 30 ECEDLO N#Cc1cccnc1NC[C@@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC001106017801 763725886 /nfs/dbraw/zinc/72/58/86/763725886.db2.gz OMDBQWVAHQKDHT-CYBMUJFWSA-N 1 2 336.355 0.804 20 30 ECEDLO C=CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccn4nnnc4c3)C2)CC1 ZINC001052060268 763739550 /nfs/dbraw/zinc/73/95/50/763739550.db2.gz BBYNGFVDALRUFR-OAHLLOKOSA-N 1 2 341.419 0.142 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn4cccnc34)C2)CC1 ZINC001052060676 763741702 /nfs/dbraw/zinc/74/17/02/763741702.db2.gz JUKSLLRLVYLJBF-HNNXBMFYSA-N 1 2 338.415 0.195 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(CC(=O)N3CCC3)CC2)C1 ZINC001052062624 763747163 /nfs/dbraw/zinc/74/71/63/763747163.db2.gz LZZRXIVNIIFGLD-MRXNPFEDSA-N 1 2 348.491 0.649 20 30 ECEDLO C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)CC1 ZINC001052064916 763753201 /nfs/dbraw/zinc/75/32/01/763753201.db2.gz JQDCKWNDMHBCKD-WCVJEAGWSA-N 1 2 339.867 0.850 20 30 ECEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C3(c4cc(C)no4)CC3)C2)CC1 ZINC001052071185 763771010 /nfs/dbraw/zinc/77/10/10/763771010.db2.gz RACNIQUPTNNSAD-MRXNPFEDSA-N 1 2 342.443 0.866 20 30 ECEDLO C=C1CCC(C(=O)N2CC[C@@H]([NH+]3CCN(CC(=O)NC)CC3)C2)CC1 ZINC001052073824 763778193 /nfs/dbraw/zinc/77/81/93/763778193.db2.gz PKQUBXRSTMLANH-QGZVFWFLSA-N 1 2 348.491 0.697 20 30 ECEDLO CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCCCC(=O)N3)C2)CC1 ZINC001052078728 763790886 /nfs/dbraw/zinc/79/08/86/763790886.db2.gz AGRBIBWXXRHJFC-IRXDYDNUSA-N 1 2 346.475 0.287 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C)nn3CC)C2)CC1 ZINC001052085680 763812528 /nfs/dbraw/zinc/81/25/28/763812528.db2.gz IWXHHKSCZYUOED-INIZCTEOSA-N 1 2 329.448 0.677 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)Cn3nccc3C)C2)CC1 ZINC001052090107 763826894 /nfs/dbraw/zinc/82/68/94/763826894.db2.gz XFLYXTBIICMQLO-KRWDZBQOSA-N 1 2 331.464 0.986 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C)c3c(C)n[nH]c3C)C2)CC1 ZINC001052097973 763851709 /nfs/dbraw/zinc/85/17/09/763851709.db2.gz AWTMBMHNBBFUPF-PBHICJAKSA-N 1 2 343.475 0.982 20 30 ECEDLO C[C@H](Oc1ccccn1)C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052108436 763890552 /nfs/dbraw/zinc/89/05/52/763890552.db2.gz MCNKQSDZUKZLGC-HOTGVXAUSA-N 1 2 343.431 0.591 20 30 ECEDLO CC(C)n1cc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)cn1 ZINC001052108700 763893717 /nfs/dbraw/zinc/89/37/17/763893717.db2.gz OZSMFUPTTQAYNM-MRXNPFEDSA-N 1 2 330.436 0.820 20 30 ECEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3conc3COC)C2)CC1 ZINC001052109248 763894670 /nfs/dbraw/zinc/89/46/70/763894670.db2.gz ZHSDXQWPVUNGMV-AWEZNQCLSA-N 1 2 332.404 0.286 20 30 ECEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3conc3COC)C2)CC1 ZINC001052109248 763894676 /nfs/dbraw/zinc/89/46/76/763894676.db2.gz ZHSDXQWPVUNGMV-AWEZNQCLSA-N 1 2 332.404 0.286 20 30 ECEDLO CO[C@@H](C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1)C1CCCC1 ZINC001052111951 763906154 /nfs/dbraw/zinc/90/61/54/763906154.db2.gz HXVOJDLYXJKOGN-IAGOWNOFSA-N 1 2 334.464 0.934 20 30 ECEDLO C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(=O)[nH]c3)C2)CC1 ZINC001052113924 763915179 /nfs/dbraw/zinc/91/51/79/763915179.db2.gz DMUAQIKADLDJGM-MRXNPFEDSA-N 1 2 328.416 0.643 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OCC(N)=O)c1 ZINC001017598955 768174696 /nfs/dbraw/zinc/17/46/96/768174696.db2.gz MBKZWAONTAVULL-IYBDPMFKSA-N 1 2 341.411 0.863 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OCC(N)=O)c1 ZINC001017598955 768174700 /nfs/dbraw/zinc/17/47/00/768174700.db2.gz MBKZWAONTAVULL-IYBDPMFKSA-N 1 2 341.411 0.863 20 30 ECEDLO C=CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc4n[nH]nc4c3)C2)CC1 ZINC001052117321 763927134 /nfs/dbraw/zinc/92/71/34/763927134.db2.gz KPDFRYBQZIMLGI-HNNXBMFYSA-N 1 2 340.431 0.976 20 30 ECEDLO C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCC(=O)N(C)C3)C2)CC1 ZINC001052122061 763944800 /nfs/dbraw/zinc/94/48/00/763944800.db2.gz LZAFVJWJKMUILZ-DLBZAZTESA-N 1 2 348.491 0.649 20 30 ECEDLO CC#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cc(CC)n(C)n3)C2)CC1 ZINC001052125385 763953033 /nfs/dbraw/zinc/95/30/33/763953033.db2.gz QNVJQPASGFGTPS-KRWDZBQOSA-N 1 2 343.475 0.838 20 30 ECEDLO N#CCSCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1)C2 ZINC001047340504 764052575 /nfs/dbraw/zinc/05/25/75/764052575.db2.gz HNESRZPVNAERNV-MJBXVCDLSA-N 1 2 347.444 0.636 20 30 ECEDLO C#CCCCCCC(=O)NC[C@H](O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001106054036 764151470 /nfs/dbraw/zinc/15/14/70/764151470.db2.gz JCWNMPNIJTWXGC-AWEZNQCLSA-N 1 2 348.451 0.719 20 30 ECEDLO CC#CCCCC(=O)NC[C@@H](O)CNc1ncnc2c1C[N@H+](C)CC2 ZINC001106058877 764194974 /nfs/dbraw/zinc/19/49/74/764194974.db2.gz WLDDEDBUWKZCES-CQSZACIVSA-N 1 2 345.447 0.547 20 30 ECEDLO CC#CCCCC(=O)NC[C@@H](O)CNc1ncnc2c1C[N@@H+](C)CC2 ZINC001106058877 764194980 /nfs/dbraw/zinc/19/49/80/764194980.db2.gz WLDDEDBUWKZCES-CQSZACIVSA-N 1 2 345.447 0.547 20 30 ECEDLO Cn1cnnc1C[N@@H+]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001052287608 764197922 /nfs/dbraw/zinc/19/79/22/764197922.db2.gz ICAMODWFBRPDCY-ZDUSSCGKSA-N 1 2 327.392 0.799 20 30 ECEDLO Cn1cnnc1C[N@H+]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001052287608 764197926 /nfs/dbraw/zinc/19/79/26/764197926.db2.gz ICAMODWFBRPDCY-ZDUSSCGKSA-N 1 2 327.392 0.799 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CCNc1ncnc2[nH]cnc21 ZINC001106985203 764244020 /nfs/dbraw/zinc/24/40/20/764244020.db2.gz BYRCDCZYKRSCIY-ZDUSSCGKSA-N 1 2 341.419 0.663 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CCNc1ncnc2[nH]cnc21 ZINC001106985203 764244028 /nfs/dbraw/zinc/24/40/28/764244028.db2.gz BYRCDCZYKRSCIY-ZDUSSCGKSA-N 1 2 341.419 0.663 20 30 ECEDLO C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001052392401 764402233 /nfs/dbraw/zinc/40/22/33/764402233.db2.gz STWITZGZQFEWTA-WCQYABFASA-N 1 2 340.387 0.676 20 30 ECEDLO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001052393111 764405572 /nfs/dbraw/zinc/40/55/72/764405572.db2.gz YCBUQWXLJGBPSR-DGCLKSJQSA-N 1 2 340.387 0.676 20 30 ECEDLO O=C(C#CC1CC1)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001047523053 764584885 /nfs/dbraw/zinc/58/48/85/764584885.db2.gz PNANSKYPDJPTBE-LZWOXQAQSA-N 1 2 326.400 0.861 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-n3cccn3)ccn2)C1 ZINC001047525610 764592512 /nfs/dbraw/zinc/59/25/12/764592512.db2.gz VKPYYEJYYMARDC-HOTGVXAUSA-N 1 2 325.372 0.018 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-n3cccn3)ccn2)C1 ZINC001047525610 764592517 /nfs/dbraw/zinc/59/25/17/764592517.db2.gz VKPYYEJYYMARDC-HOTGVXAUSA-N 1 2 325.372 0.018 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3conc3COC)C2)nn1 ZINC001098767123 764597011 /nfs/dbraw/zinc/59/70/11/764597011.db2.gz JJCUHMYVQCRESF-CYBMUJFWSA-N 1 2 344.375 0.223 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2cc(C)ncn2)C[C@@H]1O ZINC001047533522 764618648 /nfs/dbraw/zinc/61/86/48/764618648.db2.gz TXYMFXCKQJRHPU-QZWWFDLISA-N 1 2 346.431 0.380 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@@H]1O ZINC001047533522 764618656 /nfs/dbraw/zinc/61/86/56/764618656.db2.gz TXYMFXCKQJRHPU-QZWWFDLISA-N 1 2 346.431 0.380 20 30 ECEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(Br)co2)C1 ZINC001047551591 764669864 /nfs/dbraw/zinc/66/98/64/764669864.db2.gz RSKHORDCAKWAPO-QWRGUYRKSA-N 1 2 327.178 0.792 20 30 ECEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(Br)co2)C1 ZINC001047551591 764669869 /nfs/dbraw/zinc/66/98/69/764669869.db2.gz RSKHORDCAKWAPO-QWRGUYRKSA-N 1 2 327.178 0.792 20 30 ECEDLO C=CCn1cc(C(=O)N(C)[C@H]2C[N@H+](Cc3cccnc3)C[C@@H]2O)nn1 ZINC001047554000 764679005 /nfs/dbraw/zinc/67/90/05/764679005.db2.gz GXDUDVVWCRTVLZ-HOTGVXAUSA-N 1 2 342.403 0.176 20 30 ECEDLO C=CCn1cc(C(=O)N(C)[C@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2O)nn1 ZINC001047554000 764679008 /nfs/dbraw/zinc/67/90/08/764679008.db2.gz GXDUDVVWCRTVLZ-HOTGVXAUSA-N 1 2 342.403 0.176 20 30 ECEDLO C=C1CCC(C(=O)NC[C@@H](O)CNc2[nH+]cnc3c2cnn3C)CC1 ZINC001106079933 764693898 /nfs/dbraw/zinc/69/38/98/764693898.db2.gz FRDYNYQZLCEKAQ-ZDUSSCGKSA-N 1 2 344.419 0.999 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2cnc(C)o2)C[C@@H]1O ZINC001047561768 764696179 /nfs/dbraw/zinc/69/61/79/764696179.db2.gz TZLXDJYNIVPMMM-QAETUUGQSA-N 1 2 349.431 0.968 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2cnc(C)o2)C[C@@H]1O ZINC001047561768 764696187 /nfs/dbraw/zinc/69/61/87/764696187.db2.gz TZLXDJYNIVPMMM-QAETUUGQSA-N 1 2 349.431 0.968 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2cnc(C)nc2)C[C@H]1OC ZINC001212194346 764760581 /nfs/dbraw/zinc/76/05/81/764760581.db2.gz QINWNKAVGBMEJA-INMHGKMJSA-N 1 2 334.420 0.428 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2cnc(C)nc2)C[C@H]1OC ZINC001212194346 764760586 /nfs/dbraw/zinc/76/05/86/764760586.db2.gz QINWNKAVGBMEJA-INMHGKMJSA-N 1 2 334.420 0.428 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2C[NH+](CC(=O)N3CCCCC3)C2)nc1 ZINC001032134813 764782321 /nfs/dbraw/zinc/78/23/21/764782321.db2.gz CMIWXYSQERHNTN-UHFFFAOYSA-N 1 2 340.427 0.737 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCC(=O)N3)C2)c(F)c1 ZINC001032138441 764793275 /nfs/dbraw/zinc/79/32/75/764793275.db2.gz YXMLFENXPUPCIY-HNNXBMFYSA-N 1 2 330.363 0.524 20 30 ECEDLO C#CCOCCC(=O)N1C[C@H](C)[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001052600317 764831988 /nfs/dbraw/zinc/83/19/88/764831988.db2.gz WBCAHNSQAUGMAX-UONOGXRCSA-N 1 2 332.404 0.203 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@H+](Cc3ocnc3C)C[C@@H]2O)cn1 ZINC001047598875 764834674 /nfs/dbraw/zinc/83/46/74/764834674.db2.gz AIONWEMGCVOSJT-HOTGVXAUSA-N 1 2 340.383 0.677 20 30 ECEDLO C#Cc1ccc(C(=O)N(C)[C@H]2C[N@@H+](Cc3ocnc3C)C[C@@H]2O)cn1 ZINC001047598875 764834680 /nfs/dbraw/zinc/83/46/80/764834680.db2.gz AIONWEMGCVOSJT-HOTGVXAUSA-N 1 2 340.383 0.677 20 30 ECEDLO CN1C[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)NC1=O ZINC001015516057 764857685 /nfs/dbraw/zinc/85/76/85/764857685.db2.gz ZKLSRVYJWGPDAU-DZGCQCFKSA-N 1 2 345.378 0.411 20 30 ECEDLO CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)NC1=O ZINC001015516057 764857694 /nfs/dbraw/zinc/85/76/94/764857694.db2.gz ZKLSRVYJWGPDAU-DZGCQCFKSA-N 1 2 345.378 0.411 20 30 ECEDLO COCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](Nc2ccc(C#N)cn2)C1 ZINC001052718778 765039805 /nfs/dbraw/zinc/03/98/05/765039805.db2.gz PDAMOJRDUBQDLF-ZIAGYGMSSA-N 1 2 340.387 0.740 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2nnnn2C)CC1 ZINC001052787319 765121228 /nfs/dbraw/zinc/12/12/28/765121228.db2.gz ICSADHJRUAEHFT-YCPHGPKFSA-N 1 2 348.451 0.662 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2nnnn2C)CC1 ZINC001052787319 765121234 /nfs/dbraw/zinc/12/12/34/765121234.db2.gz ICSADHJRUAEHFT-YCPHGPKFSA-N 1 2 348.451 0.662 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)c3conc3CC)C2)C1=O ZINC001015667977 765142214 /nfs/dbraw/zinc/14/22/14/765142214.db2.gz YQNPSFNOUAPAKS-WFASDCNBSA-N 1 2 332.404 0.828 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3conc3CC)C2)C1=O ZINC001015667977 765142216 /nfs/dbraw/zinc/14/22/16/765142216.db2.gz YQNPSFNOUAPAKS-WFASDCNBSA-N 1 2 332.404 0.828 20 30 ECEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)c3nc[nH]n3)CC2)C1=O ZINC001052805284 765156294 /nfs/dbraw/zinc/15/62/94/765156294.db2.gz NXZHDFNNYLWSRW-QWHCGFSZSA-N 1 2 332.408 0.176 20 30 ECEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)c3nc[nH]n3)CC2)C1=O ZINC001052805284 765156297 /nfs/dbraw/zinc/15/62/97/765156297.db2.gz NXZHDFNNYLWSRW-QWHCGFSZSA-N 1 2 332.408 0.176 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cnnn3C)C2)cc1 ZINC001015809210 765366122 /nfs/dbraw/zinc/36/61/22/765366122.db2.gz KGLPCGPVMQWDOG-HNNXBMFYSA-N 1 2 339.399 0.831 20 30 ECEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cnnn3C)C2)cc1 ZINC001015809210 765366129 /nfs/dbraw/zinc/36/61/29/765366129.db2.gz KGLPCGPVMQWDOG-HNNXBMFYSA-N 1 2 339.399 0.831 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnc(C)cn3)C2)nn1 ZINC001015820485 765384103 /nfs/dbraw/zinc/38/41/03/765384103.db2.gz HZFYODUDRJUSCQ-CQSZACIVSA-N 1 2 341.419 0.957 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cnc(C)cn3)C2)nn1 ZINC001015820485 765384112 /nfs/dbraw/zinc/38/41/12/765384112.db2.gz HZFYODUDRJUSCQ-CQSZACIVSA-N 1 2 341.419 0.957 20 30 ECEDLO C=CCCOCC(=O)NC[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001053034518 765508678 /nfs/dbraw/zinc/50/86/78/765508678.db2.gz RKDFVJLFWKVUPV-CABCVRRESA-N 1 2 348.447 0.766 20 30 ECEDLO C=CCn1cc(C(=O)NCC2CC(NC(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC000992113112 765525715 /nfs/dbraw/zinc/52/57/15/765525715.db2.gz JPBYRIOGEUCLCB-UHFFFAOYSA-N 1 2 343.391 0.055 20 30 ECEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)Cc3nc[nH]n3)C2)c1 ZINC001015967372 765634684 /nfs/dbraw/zinc/63/46/84/765634684.db2.gz IRGGXRTYZJPWTC-CYBMUJFWSA-N 1 2 328.351 0.749 20 30 ECEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)Cc3nc[nH]n3)C2)c1 ZINC001015967372 765634686 /nfs/dbraw/zinc/63/46/86/765634686.db2.gz IRGGXRTYZJPWTC-CYBMUJFWSA-N 1 2 328.351 0.749 20 30 ECEDLO C#CCO[C@H](C)C(=O)N[C@@H](C)CCNc1[nH+]cnc2c1cnn2C ZINC001106442796 768308839 /nfs/dbraw/zinc/30/88/39/768308839.db2.gz LNCIVTPHYYCMLS-NWDGAFQWSA-N 1 2 330.392 0.708 20 30 ECEDLO C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1CNC(=O)C#CC1CC1 ZINC001053155290 765669283 /nfs/dbraw/zinc/66/92/83/765669283.db2.gz HQPZHXURPKOMJF-ZBFHGGJFSA-N 1 2 342.443 0.977 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCCCC3)C2)cn1 ZINC001016025887 765730193 /nfs/dbraw/zinc/73/01/93/765730193.db2.gz BZEYLRFAAFTHDD-QGZVFWFLSA-N 1 2 340.427 0.880 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)cn1 ZINC001016025887 765730194 /nfs/dbraw/zinc/73/01/94/765730194.db2.gz BZEYLRFAAFTHDD-QGZVFWFLSA-N 1 2 340.427 0.880 20 30 ECEDLO N#Cc1ccc(NC[C@H](O)CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)cn1 ZINC001106105058 765757165 /nfs/dbraw/zinc/75/71/65/765757165.db2.gz RFHLZDQZPNCZJM-UONOGXRCSA-N 1 2 340.387 0.685 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)c1cnc(N(C)C)cn1)CCO2 ZINC001053257540 765856272 /nfs/dbraw/zinc/85/62/72/765856272.db2.gz QQKBGRWLHGXGOY-UHFFFAOYSA-N 1 2 331.420 0.646 20 30 ECEDLO C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCc3nc(C)nn3C1)CCO2 ZINC001053354126 766019663 /nfs/dbraw/zinc/01/96/63/766019663.db2.gz PJKRSZRTAPIJBF-OAHLLOKOSA-N 1 2 345.447 0.638 20 30 ECEDLO C#Cc1ccc(C(=O)NCC2CC(NC(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC000992263515 766092512 /nfs/dbraw/zinc/09/25/12/766092512.db2.gz NFPPIYHYILWPIE-UHFFFAOYSA-N 1 2 337.383 0.653 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNc1ncccc1C#N ZINC001106122296 766177281 /nfs/dbraw/zinc/17/72/81/766177281.db2.gz XQIGCNAJPGLMCV-MGPQQGTHSA-N 1 2 340.387 0.379 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COCCN1CC(F)F ZINC001017770013 768357346 /nfs/dbraw/zinc/35/73/46/768357346.db2.gz WTZCSKKVDXWPPQ-QLFBSQMISA-N 1 2 341.402 0.651 20 30 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766430629 /nfs/dbraw/zinc/43/06/29/766430629.db2.gz QVBZTADXOFRHJC-USXIJHARSA-N 1 2 347.459 0.616 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nncn1C ZINC001045849951 766432675 /nfs/dbraw/zinc/43/26/75/766432675.db2.gz JHJTYGSKZMNWIW-QXSJWSMHSA-N 1 2 345.447 0.972 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1nncn1C ZINC001045849951 766432681 /nfs/dbraw/zinc/43/26/81/766432681.db2.gz JHJTYGSKZMNWIW-QXSJWSMHSA-N 1 2 345.447 0.972 20 30 ECEDLO CO[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)C#CC1CC1 ZINC001212251388 766439388 /nfs/dbraw/zinc/43/93/88/766439388.db2.gz ZSXCSOHDGZUDPY-IXDOHACOSA-N 1 2 345.443 0.369 20 30 ECEDLO CO[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1NC(=O)C#CC1CC1 ZINC001212251388 766439394 /nfs/dbraw/zinc/43/93/94/766439394.db2.gz ZSXCSOHDGZUDPY-IXDOHACOSA-N 1 2 345.443 0.369 20 30 ECEDLO N#CCN1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCn3cc[nH+]c3C1)O2 ZINC001053618937 766447217 /nfs/dbraw/zinc/44/72/17/766447217.db2.gz GLRABSQJJCBKFL-KGLIPLIRSA-N 1 2 329.404 0.319 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCC3N=NC(=O)N3C1)O2 ZINC001053619589 766450644 /nfs/dbraw/zinc/45/06/44/766450644.db2.gz SWTOGJNWFOBLHU-STQMWFEESA-N 1 2 347.419 0.082 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)O2 ZINC001053626142 766467596 /nfs/dbraw/zinc/46/75/96/766467596.db2.gz ODLHHORPZTZILK-KBPBESRZSA-N 1 2 342.461 0.347 20 30 ECEDLO C#CC[N@@H+]1CC[C@]2(NC(=O)C[C@H]3CCCS(=O)(=O)C3)CCC[C@@H]12 ZINC000992408226 766500868 /nfs/dbraw/zinc/50/08/68/766500868.db2.gz STRVRBNCIPEHGK-BFYDXBDKSA-N 1 2 338.473 0.948 20 30 ECEDLO C#CC[N@H+]1CC[C@]2(NC(=O)C[C@H]3CCCS(=O)(=O)C3)CCC[C@@H]12 ZINC000992408226 766500874 /nfs/dbraw/zinc/50/08/74/766500874.db2.gz STRVRBNCIPEHGK-BFYDXBDKSA-N 1 2 338.473 0.948 20 30 ECEDLO C#CC[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3CCCS(=O)(=O)C3)CCC[C@H]12 ZINC000992408239 766500985 /nfs/dbraw/zinc/50/09/85/766500985.db2.gz STRVRBNCIPEHGK-YQQAZPJKSA-N 1 2 338.473 0.948 20 30 ECEDLO C#CC[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CCCS(=O)(=O)C3)CCC[C@H]12 ZINC000992408239 766500990 /nfs/dbraw/zinc/50/09/90/766500990.db2.gz STRVRBNCIPEHGK-YQQAZPJKSA-N 1 2 338.473 0.948 20 30 ECEDLO Cn1ncnc1C[NH+]1CCC2(C[C@@H]2NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001016562256 766507598 /nfs/dbraw/zinc/50/75/98/766507598.db2.gz LGYKGWUVJHJIOY-AWEZNQCLSA-N 1 2 339.403 0.799 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccnc3c1nnn3C)O2 ZINC001053654311 766520549 /nfs/dbraw/zinc/52/05/49/766520549.db2.gz IQDWNQVXYUMEHI-GFCCVEGCSA-N 1 2 342.403 0.513 20 30 ECEDLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1NC(=O)C#CC1CC1 ZINC001212254496 766526404 /nfs/dbraw/zinc/52/64/04/766526404.db2.gz YKKIDLRJYNZYFE-DJIMGWMZSA-N 1 2 349.475 0.766 20 30 ECEDLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1NC(=O)C#CC1CC1 ZINC001212254496 766526406 /nfs/dbraw/zinc/52/64/06/766526406.db2.gz YKKIDLRJYNZYFE-DJIMGWMZSA-N 1 2 349.475 0.766 20 30 ECEDLO Cn1nnnc1C[NH+]1CCC2(C[C@@H]2NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001016577993 766527993 /nfs/dbraw/zinc/52/79/93/766527993.db2.gz BPHODMYTMKDLAL-ZDUSSCGKSA-N 1 2 340.391 0.194 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C)O2 ZINC001053660617 766531386 /nfs/dbraw/zinc/53/13/86/766531386.db2.gz MHHDAMGRLQYSES-QLFBSQMISA-N 1 2 335.448 0.636 20 30 ECEDLO C#CCN1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCc3[nH+]c[nH]c31)O2 ZINC001053661968 766533489 /nfs/dbraw/zinc/53/34/89/766533489.db2.gz BHYYPHWCFSXPGQ-KGLIPLIRSA-N 1 2 328.416 0.812 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC(=O)N(CCC)C1)O2 ZINC001053670573 766549751 /nfs/dbraw/zinc/54/97/51/766549751.db2.gz QUFQZUCEPXNFRZ-CABCVRRESA-N 1 2 335.448 0.781 20 30 ECEDLO C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc3n[nH]c(=O)n3c1)O2 ZINC001053675215 766557142 /nfs/dbraw/zinc/55/71/42/766557142.db2.gz IOTPADGSLSXQLA-CYBMUJFWSA-N 1 2 343.387 0.584 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccc(C(N)=O)cn1)O2 ZINC001053703673 766627866 /nfs/dbraw/zinc/62/78/66/766627866.db2.gz LJKFIXXHQOFYBP-CQSZACIVSA-N 1 2 344.415 0.720 20 30 ECEDLO Cc1ccnc(C[N@H+]2CC[C@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)n1 ZINC001046012565 766640465 /nfs/dbraw/zinc/64/04/65/766640465.db2.gz PMCMBYXWAYFJFV-HOCLYGCPSA-N 1 2 342.447 0.663 20 30 ECEDLO Cc1ccnc(C[N@@H+]2CC[C@H](N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)n1 ZINC001046012565 766640468 /nfs/dbraw/zinc/64/04/68/766640468.db2.gz PMCMBYXWAYFJFV-HOCLYGCPSA-N 1 2 342.447 0.663 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3ccn[nH]3)CC2)C1 ZINC001046017113 766653452 /nfs/dbraw/zinc/65/34/52/766653452.db2.gz MGEZINAPEFBDRZ-OAHLLOKOSA-N 1 2 337.855 0.923 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3ccn[nH]3)CC2)C1 ZINC001046017113 766653457 /nfs/dbraw/zinc/65/34/57/766653457.db2.gz MGEZINAPEFBDRZ-OAHLLOKOSA-N 1 2 337.855 0.923 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2conc2CC)C[C@H]1OC ZINC001212262111 766667058 /nfs/dbraw/zinc/66/70/58/766667058.db2.gz BOCDIZYIKUXPMN-HZPDHXFCSA-N 1 2 335.404 0.592 20 30 ECEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2conc2CC)C[C@H]1OC ZINC001212262111 766667064 /nfs/dbraw/zinc/66/70/64/766667064.db2.gz BOCDIZYIKUXPMN-HZPDHXFCSA-N 1 2 335.404 0.592 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3C[C@H]3c3ccncc3)CC2)C1 ZINC001046030429 766698530 /nfs/dbraw/zinc/69/85/30/766698530.db2.gz RFSFDSAYIFUBAU-OKZBNKHCSA-N 1 2 339.443 0.927 20 30 ECEDLO CCCn1nccc1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046032857 766707567 /nfs/dbraw/zinc/70/75/67/766707567.db2.gz IZBDVMYEOGWBNI-OAHLLOKOSA-N 1 2 330.436 0.649 20 30 ECEDLO CCn1ccc(CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)n1 ZINC001046033132 766708707 /nfs/dbraw/zinc/70/87/07/766708707.db2.gz SNIJFGPPEOQTDE-MRXNPFEDSA-N 1 2 330.436 0.188 20 30 ECEDLO CN(C(=O)Cn1cc[nH+]c1)C1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001016686747 766729760 /nfs/dbraw/zinc/72/97/60/766729760.db2.gz UZGIAOLQPSSWOP-UHFFFAOYSA-N 1 2 326.360 0.502 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)Cc3ccc(F)cn3)CC2)C1 ZINC001046038827 766739463 /nfs/dbraw/zinc/73/94/63/766739463.db2.gz KHEXVOYPBPUBIN-MRXNPFEDSA-N 1 2 331.395 0.505 20 30 ECEDLO CC(C)c1n[nH]cc1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046040694 766748207 /nfs/dbraw/zinc/74/82/07/766748207.db2.gz HIEYNKXESXUSMI-AWEZNQCLSA-N 1 2 330.436 0.889 20 30 ECEDLO N#CCN1CC[C@@H]([NH+]2CCN(C(=O)CCc3cncnc3)CC2)C1 ZINC001046044293 766766508 /nfs/dbraw/zinc/76/65/08/766766508.db2.gz SGXYRBLROSTRNP-MRXNPFEDSA-N 1 2 328.420 0.151 20 30 ECEDLO Cn1c[nH+]cc1CN1CC2(C1)C[C@@H](NC(=O)c1c[nH]c(C#N)c1)CO2 ZINC001053780749 766821499 /nfs/dbraw/zinc/82/14/99/766821499.db2.gz QFTBRIVSUAGNEX-CQSZACIVSA-N 1 2 340.387 0.393 20 30 ECEDLO Cn1cc([C@@H]2C[C@H]2C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)cn1 ZINC001046066274 766853061 /nfs/dbraw/zinc/85/30/61/766853061.db2.gz BYZRIIRWAKKALO-YESZJQIVSA-N 1 2 342.447 0.266 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn(CCOC)nn1)CO2 ZINC001053796340 766868273 /nfs/dbraw/zinc/86/82/73/766868273.db2.gz HGJWFYDBNQETMM-CYBMUJFWSA-N 1 2 335.408 0.074 20 30 ECEDLO CCCn1ncc(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)c1C ZINC001046073687 766888276 /nfs/dbraw/zinc/88/82/76/766888276.db2.gz JLJWNVCEJNJLEI-MRXNPFEDSA-N 1 2 344.463 0.957 20 30 ECEDLO COc1cc[nH]c(=O)c1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046075925 766899701 /nfs/dbraw/zinc/89/97/01/766899701.db2.gz IJMQCXSTXCUTQF-ZDUSSCGKSA-N 1 2 345.403 0.151 20 30 ECEDLO Cc1nsc(NC[C@H](O)CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1C#N ZINC001106134995 766903409 /nfs/dbraw/zinc/90/34/09/766903409.db2.gz KVSRRFRPMJKBFE-BXKDBHETSA-N 1 2 348.432 0.814 20 30 ECEDLO Cc1nsc(NC[C@H](O)CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1C#N ZINC001106134995 766903417 /nfs/dbraw/zinc/90/34/17/766903417.db2.gz KVSRRFRPMJKBFE-BXKDBHETSA-N 1 2 348.432 0.814 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3c(c1)NC(=O)C3)CO2 ZINC001053817085 766920386 /nfs/dbraw/zinc/92/03/86/766920386.db2.gz FAFXIDPHODNCAQ-HNNXBMFYSA-N 1 2 339.395 0.778 20 30 ECEDLO N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)C1 ZINC001046082334 766921826 /nfs/dbraw/zinc/92/18/26/766921826.db2.gz QQTUUJANWCEECD-AWEZNQCLSA-N 1 2 339.403 0.314 20 30 ECEDLO CCOc1cccnc1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046090595 766932526 /nfs/dbraw/zinc/93/25/26/766932526.db2.gz ZGNZNUXEVKLRDF-HNNXBMFYSA-N 1 2 343.431 0.836 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C)N1C(=O)CCC1=O)CO2 ZINC001053820780 766935839 /nfs/dbraw/zinc/93/58/39/766935839.db2.gz LTEFHKQBXZBPOQ-CHWSQXEVSA-N 1 2 335.404 0.060 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1nc3ncc(C)cn3n1)CO2 ZINC001053838526 766982992 /nfs/dbraw/zinc/98/29/92/766982992.db2.gz DWEZTQNVYOVAHN-CYBMUJFWSA-N 1 2 342.403 0.582 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1nc(C)c(C)[nH]c1=O)CO2 ZINC001053843264 766995896 /nfs/dbraw/zinc/99/58/96/766995896.db2.gz IKUSCUJEKFYZDQ-CYBMUJFWSA-N 1 2 332.404 0.536 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@H+](Cc3cncc(C)c3)C[C@@H]2O)c1 ZINC001083764986 766998011 /nfs/dbraw/zinc/99/80/11/766998011.db2.gz HTGXTJOXUUJRSV-MSOLQXFVSA-N 1 2 336.395 0.741 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2C[N@@H+](Cc3cncc(C)c3)C[C@@H]2O)c1 ZINC001083764986 766998015 /nfs/dbraw/zinc/99/80/15/766998015.db2.gz HTGXTJOXUUJRSV-MSOLQXFVSA-N 1 2 336.395 0.741 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc(OC)nc(OC)c1)CO2 ZINC001053858229 767046037 /nfs/dbraw/zinc/04/60/37/767046037.db2.gz BTBZFGVMVJUUGX-AWEZNQCLSA-N 1 2 345.399 0.695 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c(C)cc(=O)oc1C)CO2 ZINC001053864265 767066544 /nfs/dbraw/zinc/06/65/44/767066544.db2.gz XQIAKJPQNFMLAL-CQSZACIVSA-N 1 2 330.384 0.853 20 30 ECEDLO C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc(=O)c(OC)c[nH]1)CO2 ZINC001053872116 767094105 /nfs/dbraw/zinc/09/41/05/767094105.db2.gz SIBWOODQXGKYFL-CYBMUJFWSA-N 1 2 347.415 0.923 20 30 ECEDLO C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001046307219 767138481 /nfs/dbraw/zinc/13/84/81/767138481.db2.gz QEBGXMKCRMIYFN-UHFFFAOYSA-N 1 2 346.431 0.399 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1c[nH]nc1[C@H]1CCOC1)CO2 ZINC001053881555 767150389 /nfs/dbraw/zinc/15/03/89/767150389.db2.gz LXZWYOBONVXOOA-KBPBESRZSA-N 1 2 344.415 0.510 20 30 ECEDLO CN1CC[C@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)CC1=O ZINC001031777756 767190393 /nfs/dbraw/zinc/19/03/93/767190393.db2.gz MFVWROJHAIABQE-HNNXBMFYSA-N 1 2 340.427 0.975 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1OC ZINC001212337348 767253183 /nfs/dbraw/zinc/25/31/83/767253183.db2.gz JEQIGKQVJVBWRM-IJLUTSLNSA-N 1 2 329.828 0.469 20 30 ECEDLO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1OC ZINC001212337348 767253184 /nfs/dbraw/zinc/25/31/84/767253184.db2.gz JEQIGKQVJVBWRM-IJLUTSLNSA-N 1 2 329.828 0.469 20 30 ECEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CCc2cnn(C)c2C)[C@H](OC)C1 ZINC001212342473 767284499 /nfs/dbraw/zinc/28/44/99/767284499.db2.gz BVWPULWYWXZJNL-IAGOWNOFSA-N 1 2 348.447 0.126 20 30 ECEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CCc2cnn(C)c2C)[C@H](OC)C1 ZINC001212342473 767284500 /nfs/dbraw/zinc/28/45/00/767284500.db2.gz BVWPULWYWXZJNL-IAGOWNOFSA-N 1 2 348.447 0.126 20 30 ECEDLO CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)CCc2c[nH]c[nH+]2)n1 ZINC001106149890 767361357 /nfs/dbraw/zinc/36/13/57/767361357.db2.gz GUKKRVWZTQOEDS-CYBMUJFWSA-N 1 2 343.391 0.156 20 30 ECEDLO CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)CCc2c[nH+]c[nH]2)n1 ZINC001106149890 767361367 /nfs/dbraw/zinc/36/13/67/767361367.db2.gz GUKKRVWZTQOEDS-CYBMUJFWSA-N 1 2 343.391 0.156 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2COC3(C[NH+](C[C@@H](C)OC)C3)C2)c1 ZINC001053920562 767361543 /nfs/dbraw/zinc/36/15/43/767361543.db2.gz MTKDRTKIFXPSDH-CZUORRHYSA-N 1 2 329.400 0.671 20 30 ECEDLO Cc1nsc(NC[C@@H](O)CNC(=O)CCc2c[nH]c[nH+]2)c1C#N ZINC001106150425 767365973 /nfs/dbraw/zinc/36/59/73/767365973.db2.gz SZFACDWIYOINCL-NSHDSACASA-N 1 2 334.405 0.568 20 30 ECEDLO Cc1nsc(NC[C@@H](O)CNC(=O)CCc2c[nH+]c[nH]2)c1C#N ZINC001106150425 767365981 /nfs/dbraw/zinc/36/59/81/767365981.db2.gz SZFACDWIYOINCL-NSHDSACASA-N 1 2 334.405 0.568 20 30 ECEDLO CC#CCN1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCc3[nH+]c[nH]c31)CO2 ZINC001053926194 767381870 /nfs/dbraw/zinc/38/18/70/767381870.db2.gz YUGUINWARHXVRO-KGLIPLIRSA-N 1 2 328.416 0.812 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCc3nnnn3CC1)CO2 ZINC001053931669 767393722 /nfs/dbraw/zinc/39/37/22/767393722.db2.gz CDWIFDFLSGGAEQ-KBPBESRZSA-N 1 2 346.435 0.161 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001046637579 767407606 /nfs/dbraw/zinc/40/76/06/767407606.db2.gz NVMTXXFJAGJIBG-IUODEOHRSA-N 1 2 338.843 0.959 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3nnnn3CC2)C1 ZINC001046637579 767407611 /nfs/dbraw/zinc/40/76/11/767407611.db2.gz NVMTXXFJAGJIBG-IUODEOHRSA-N 1 2 338.843 0.959 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1csc3cncn31)CO2 ZINC001053944755 767419618 /nfs/dbraw/zinc/41/96/18/767419618.db2.gz GYCZEERDTWHYSZ-LBPRGKRZSA-N 1 2 330.413 0.992 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccn(C)n3)C2)nn1 ZINC001046689801 767486313 /nfs/dbraw/zinc/48/63/13/767486313.db2.gz OSCPFKLCXLFFOF-QGZVFWFLSA-N 1 2 343.435 0.982 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@]2(C)CC[N@H+](Cc3ccn(C)n3)C2)nn1 ZINC001046689801 767486320 /nfs/dbraw/zinc/48/63/20/767486320.db2.gz OSCPFKLCXLFFOF-QGZVFWFLSA-N 1 2 343.435 0.982 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCc3n[nH]cc3C1)CO2 ZINC001053981335 767521671 /nfs/dbraw/zinc/52/16/71/767521671.db2.gz IEGSKFXSVSNLLN-UKRRQHHQSA-N 1 2 328.416 0.497 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2COC3(C[NH+](C[C@@H](C)OC)C3)C2)nc1 ZINC001053985210 767534629 /nfs/dbraw/zinc/53/46/29/767534629.db2.gz LLHHZDGLWNHHPD-HIFRSBDPSA-N 1 2 329.400 0.671 20 30 ECEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CCCCC(=O)N1)CO2 ZINC001053993199 767548111 /nfs/dbraw/zinc/54/81/11/767548111.db2.gz HMHHKDQURNEACU-LSDHHAIUSA-N 1 2 335.448 0.971 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@H](C[N@H+](C)Cc2nnnn2C2CC2)C1 ZINC001017076432 767554528 /nfs/dbraw/zinc/55/45/28/767554528.db2.gz HCMWMDBHTWCRPI-QWHCGFSZSA-N 1 2 331.424 0.838 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@H](C[N@@H+](C)Cc2nnnn2C2CC2)C1 ZINC001017076432 767554534 /nfs/dbraw/zinc/55/45/34/767554534.db2.gz HCMWMDBHTWCRPI-QWHCGFSZSA-N 1 2 331.424 0.838 20 30 ECEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnc3n[nH]c(C)c3c1)CO2 ZINC001054010788 767593146 /nfs/dbraw/zinc/59/31/46/767593146.db2.gz YSCIXJYSAPXWPZ-AWEZNQCLSA-N 1 2 339.399 0.863 20 30 ECEDLO C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc(=O)n(C)n1 ZINC001054059437 767657021 /nfs/dbraw/zinc/65/70/21/767657021.db2.gz PDOWMWDPLRQSSR-INIZCTEOSA-N 1 2 336.395 0.570 20 30 ECEDLO C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc(=O)n(C)n1 ZINC001054059437 767657026 /nfs/dbraw/zinc/65/70/26/767657026.db2.gz PDOWMWDPLRQSSR-INIZCTEOSA-N 1 2 336.395 0.570 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2nnnn2C)C1 ZINC001017214861 767730465 /nfs/dbraw/zinc/73/04/65/767730465.db2.gz CGPYIWUBBUKKIJ-ZNMIVQPWSA-N 1 2 348.451 0.472 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)Cc2nnnn2C)C1 ZINC001017214861 767730468 /nfs/dbraw/zinc/73/04/68/767730468.db2.gz CGPYIWUBBUKKIJ-ZNMIVQPWSA-N 1 2 348.451 0.472 20 30 ECEDLO C=CCn1cc(C(=O)NC2C[NH+](C[C@@H](O)Cc3ccccc3)C2)nn1 ZINC001031070066 767804276 /nfs/dbraw/zinc/80/42/76/767804276.db2.gz NAIYWZTWMVCWIX-INIZCTEOSA-N 1 2 341.415 0.482 20 30 ECEDLO CN(CCOCCNc1ncccc1C#N)C(=O)Cc1[nH]cc[nH+]1 ZINC001127358419 768474267 /nfs/dbraw/zinc/47/42/67/768474267.db2.gz YHOHENWDRBEFDP-UHFFFAOYSA-N 1 2 328.376 0.806 20 30 ECEDLO Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cc[nH+]c2)C3)n1 ZINC001055051205 768545596 /nfs/dbraw/zinc/54/55/96/768545596.db2.gz ASPKIZFYBIFFCF-ILXRZTDVSA-N 1 2 337.387 0.779 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C2CC(C)(C)C2)[C@H](OC)C1 ZINC001212206021 768637554 /nfs/dbraw/zinc/63/75/54/768637554.db2.gz FATKEMMYWHCOKQ-NWANDNLSSA-N 1 2 337.464 0.929 20 30 ECEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC(C)(C)C2)[C@H](OC)C1 ZINC001212206021 768637562 /nfs/dbraw/zinc/63/75/62/768637562.db2.gz FATKEMMYWHCOKQ-NWANDNLSSA-N 1 2 337.464 0.929 20 30 ECEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001018054054 768665639 /nfs/dbraw/zinc/66/56/39/768665639.db2.gz FPFLNYFTVCMCNE-ZJPYXAASSA-N 1 2 342.443 0.987 20 30 ECEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001018054054 768665643 /nfs/dbraw/zinc/66/56/43/768665643.db2.gz FPFLNYFTVCMCNE-ZJPYXAASSA-N 1 2 342.443 0.987 20 30 ECEDLO C[C@@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001018085928 768702022 /nfs/dbraw/zinc/70/20/22/768702022.db2.gz DNKADRLDURQWPE-DGCLKSJQSA-N 1 2 340.387 0.961 20 30 ECEDLO N#Cc1cncc(N[C@@H]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]23)n1 ZINC001060558525 768821999 /nfs/dbraw/zinc/82/19/99/768821999.db2.gz ZQPAFIMXOAYXJA-BYCMXARLSA-N 1 2 337.387 0.963 20 30 ECEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@@]2(C)C1 ZINC000993348747 768825431 /nfs/dbraw/zinc/82/54/31/768825431.db2.gz LQVBANOLCFBXIY-IYOUNJFTSA-N 1 2 343.431 0.819 20 30 ECEDLO C[C@H](C[C@H](C)NC(=O)Cc1c[nH+]cn1C)Nc1ccnc(C#N)n1 ZINC001089353402 769009335 /nfs/dbraw/zinc/00/93/35/769009335.db2.gz YXSINSIMKGSELL-NEPJUHHUSA-N 1 2 327.392 0.442 20 30 ECEDLO C[C@@H](C[C@H](C)Nc1ccnc(C#N)n1)NC(=O)Cc1c[nH+]cn1C ZINC001089353405 769009949 /nfs/dbraw/zinc/00/99/49/769009949.db2.gz YXSINSIMKGSELL-RYUDHWBXSA-N 1 2 327.392 0.442 20 30 ECEDLO C=CCCC(=O)NC1CC[NH+](CCNC(=O)c2cnns2)CC1 ZINC001055531500 769025257 /nfs/dbraw/zinc/02/52/57/769025257.db2.gz HWIDZVDWDXEXSP-UHFFFAOYSA-N 1 2 337.449 0.815 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3n[nH]cc3C)C2)CC1 ZINC001018363423 769201629 /nfs/dbraw/zinc/20/16/29/769201629.db2.gz MEAIVIYOYVRUPR-OAHLLOKOSA-N 1 2 345.447 0.901 20 30 ECEDLO C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@]34C[C@H]3COC4)C2)CC1 ZINC001018366777 769213993 /nfs/dbraw/zinc/21/39/93/769213993.db2.gz NWODMEMMXFJZGG-GJYPPUQNSA-N 1 2 347.459 0.592 20 30 ECEDLO N#Cc1nccc(NC2CCC(NC(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001060597685 769221889 /nfs/dbraw/zinc/22/18/89/769221889.db2.gz WDHAWPWVHSVCAP-UHFFFAOYSA-N 1 2 325.376 0.506 20 30 ECEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H]1C ZINC000993699415 769532621 /nfs/dbraw/zinc/53/26/21/769532621.db2.gz JZXJRZRQIOIKOJ-QWHCGFSZSA-N 1 2 328.844 0.140 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H]1C ZINC000993699415 769532628 /nfs/dbraw/zinc/53/26/28/769532628.db2.gz JZXJRZRQIOIKOJ-QWHCGFSZSA-N 1 2 328.844 0.140 20 30 ECEDLO C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001055823539 769857607 /nfs/dbraw/zinc/85/76/07/769857607.db2.gz FAGOGDUVRBOHFZ-QGZVFWFLSA-N 1 2 334.420 0.399 20 30 ECEDLO C=CCCC(=O)N[C@]1(CO)CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001055823661 769857920 /nfs/dbraw/zinc/85/79/20/769857920.db2.gz HRUVWONGENVHMM-QGZVFWFLSA-N 1 2 334.420 0.778 20 30 ECEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](C)C3CCOCC3)C2)nn1 ZINC001098797258 770401843 /nfs/dbraw/zinc/40/18/43/770401843.db2.gz QKYSHTVNNZOQOZ-WMLDXEAASA-N 1 2 345.447 0.837 20 30 ECEDLO N#Cc1cncc(N2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CC2)n1 ZINC001056011947 770546637 /nfs/dbraw/zinc/54/66/37/770546637.db2.gz VCZNIZJBKQCTTD-ZDUSSCGKSA-N 1 2 337.387 0.840 20 30 ECEDLO C=CCCCC(=O)N1CCC[C@](CO)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001056019735 770573323 /nfs/dbraw/zinc/57/33/23/770573323.db2.gz ORMMBXAFUQVSMU-SFHVURJKSA-N 1 2 348.447 0.789 20 30 ECEDLO C[C@H](CC(=O)N1CCN(c2nccnc2C#N)CC1)n1cc[nH+]c1 ZINC001056039424 770647121 /nfs/dbraw/zinc/64/71/21/770647121.db2.gz SSFVIHVZFRNQDZ-CYBMUJFWSA-N 1 2 325.376 0.845 20 30 ECEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(c2ccnc(C#N)n2)CC1 ZINC001056046438 770664532 /nfs/dbraw/zinc/66/45/32/770664532.db2.gz NWUDJMLEJJKYOM-GFCCVEGCSA-N 1 2 325.376 0.599 20 30 ECEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2ccnc(C#N)n2)CC1 ZINC001056046438 770664540 /nfs/dbraw/zinc/66/45/40/770664540.db2.gz NWUDJMLEJJKYOM-GFCCVEGCSA-N 1 2 325.376 0.599 20 30 ECEDLO N#Cc1cc(C(=O)N2CCC3(CN(C(=O)Cn4cc[nH+]c4)C3)C2)c[nH]1 ZINC001019154993 770944241 /nfs/dbraw/zinc/94/42/41/770944241.db2.gz BCGCJUBFYAQPGD-UHFFFAOYSA-N 1 2 338.371 0.458 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1[C@H]2CN(c3nc(C)cc(C#N)n3)C[C@H]21 ZINC001056271397 771066638 /nfs/dbraw/zinc/06/66/38/771066638.db2.gz NGOZLSKPWWFQKV-VIKVFOODSA-N 1 2 337.387 0.482 20 30 ECEDLO CO[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)C#CC(C)C ZINC001212231072 771096670 /nfs/dbraw/zinc/09/66/70/771096670.db2.gz KLQADXMPQXVMJZ-IAGOWNOFSA-N 1 2 349.475 0.720 20 30 ECEDLO CO[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1NC(=O)C#CC(C)C ZINC001212231072 771096675 /nfs/dbraw/zinc/09/66/75/771096675.db2.gz KLQADXMPQXVMJZ-IAGOWNOFSA-N 1 2 349.475 0.720 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CC(NC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)c1 ZINC000994559629 771110090 /nfs/dbraw/zinc/11/00/90/771110090.db2.gz AABBRHZPVHVZQP-LBPRGKRZSA-N 1 2 338.371 0.286 20 30 ECEDLO N#Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCn3c[nH+]cc3C2)nn1 ZINC001056326847 771130039 /nfs/dbraw/zinc/13/00/39/771130039.db2.gz JOAHVORNQJLWOE-ZYIUAKIQSA-N 1 2 349.398 0.358 20 30 ECEDLO N#Cc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCc3[nH+]ccn3C2)nc1 ZINC001056330222 771136223 /nfs/dbraw/zinc/13/62/23/771136223.db2.gz LZWFLEPVEDMCSJ-BSXFFOKHSA-N 1 2 348.410 0.963 20 30 ECEDLO CO[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1NC(=O)C#CC(C)C ZINC001212233734 771151808 /nfs/dbraw/zinc/15/18/08/771151808.db2.gz GDJKTRVGDOIIRY-BRWVUGGUSA-N 1 2 349.475 0.720 20 30 ECEDLO CO[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1NC(=O)C#CC(C)C ZINC001212233734 771151809 /nfs/dbraw/zinc/15/18/09/771151809.db2.gz GDJKTRVGDOIIRY-BRWVUGGUSA-N 1 2 349.475 0.720 20 30 ECEDLO N#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)[nH]1 ZINC000994599851 771261651 /nfs/dbraw/zinc/26/16/51/771261651.db2.gz HCOAAQZRELIWHB-LLVKDONJSA-N 1 2 338.371 0.286 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001056455285 771285813 /nfs/dbraw/zinc/28/58/13/771285813.db2.gz BJWWXGFVAFLYON-CVEARBPZSA-N 1 2 344.415 0.515 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[C@H]([NH2+][C@@H](C)c3nnc(C)o3)C2)nn1 ZINC001019482328 771345959 /nfs/dbraw/zinc/34/59/59/771345959.db2.gz PGEUCIHJZSMTPK-JQWIXIFHSA-N 1 2 331.380 0.721 20 30 ECEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3nccnc3N)C2)cc1F ZINC001031588798 771353388 /nfs/dbraw/zinc/35/33/88/771353388.db2.gz VXMJGZGICKHUKK-UHFFFAOYSA-N 1 2 340.362 0.931 20 30 ECEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001056574724 771396438 /nfs/dbraw/zinc/39/64/38/771396438.db2.gz KVZAMLPYTOYQPB-FVQBIDKESA-N 1 2 344.415 0.582 20 30 ECEDLO CC1CCN(C(=O)C[NH+]2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)CC1 ZINC001031603619 771399200 /nfs/dbraw/zinc/39/92/00/771399200.db2.gz UODVCSMEHCGELA-UHFFFAOYSA-N 1 2 343.431 0.806 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001056652829 771473656 /nfs/dbraw/zinc/47/36/56/771473656.db2.gz GZXQQHKUCIMHBN-HDMKZQKVSA-N 1 2 346.431 0.660 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001056666538 771489618 /nfs/dbraw/zinc/48/96/18/771489618.db2.gz SEZBQIGMFGLBFY-HRCADAONSA-N 1 2 344.415 0.371 20 30 ECEDLO N#Cc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3ncn[nH]3)C2)c(F)c1 ZINC001019629185 771629984 /nfs/dbraw/zinc/62/99/84/771629984.db2.gz FZCHCWZBOQKZPE-ZDUSSCGKSA-N 1 2 328.351 0.749 20 30 ECEDLO CN(c1ccnc(C#N)n1)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001056952611 771857372 /nfs/dbraw/zinc/85/73/72/771857372.db2.gz OOENYEUDNMNESH-AWEZNQCLSA-N 1 2 339.403 0.752 20 30 ECEDLO CN(c1ccnc(C#N)n1)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001056952612 771857647 /nfs/dbraw/zinc/85/76/47/771857647.db2.gz OOENYEUDNMNESH-CQSZACIVSA-N 1 2 339.403 0.752 20 30 ECEDLO O=C(C#CC1CC1)N1CCO[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001019894022 771981480 /nfs/dbraw/zinc/98/14/80/771981480.db2.gz QQHIGRVEJUBIGM-HZPDHXFCSA-N 1 2 342.399 0.125 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](N(C)c2nccnc2C#N)C1 ZINC001057047059 771992790 /nfs/dbraw/zinc/99/27/90/771992790.db2.gz NRRFBYSJWQQRDW-JSGCOSHPSA-N 1 2 339.403 0.987 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](N(C)c2nccnc2C#N)C1 ZINC001057047059 771992791 /nfs/dbraw/zinc/99/27/91/771992791.db2.gz NRRFBYSJWQQRDW-JSGCOSHPSA-N 1 2 339.403 0.987 20 30 ECEDLO C=CC(C)(C)C(=O)N1CC[C@H]2OCCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001019907812 772007612 /nfs/dbraw/zinc/00/76/12/772007612.db2.gz IIXQITBVJXHMCW-ZIAGYGMSSA-N 1 2 346.431 0.993 20 30 ECEDLO CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001057064588 772024723 /nfs/dbraw/zinc/02/47/23/772024723.db2.gz RFYZAOURPTWNAR-MGPQQGTHSA-N 1 2 337.387 0.912 20 30 ECEDLO CN(c1cncc(C#N)n1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001057064588 772024728 /nfs/dbraw/zinc/02/47/28/772024728.db2.gz RFYZAOURPTWNAR-MGPQQGTHSA-N 1 2 337.387 0.912 20 30 ECEDLO N#Cc1nccnc1N1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001057252904 772347383 /nfs/dbraw/zinc/34/73/83/772347383.db2.gz XXFZRCXUVQIZCE-CHWSQXEVSA-N 1 2 337.387 0.914 20 30 ECEDLO N#Cc1nccnc1N1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001057252904 772347388 /nfs/dbraw/zinc/34/73/88/772347388.db2.gz XXFZRCXUVQIZCE-CHWSQXEVSA-N 1 2 337.387 0.914 20 30 ECEDLO N#Cc1nccc(NC2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)n1 ZINC001057446058 772623450 /nfs/dbraw/zinc/62/34/50/772623450.db2.gz ZHRWDCJHOGVPRJ-UHFFFAOYSA-N 1 2 325.376 0.529 20 30 ECEDLO N#Cc1nccc(NC2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)n1 ZINC001057446058 772623454 /nfs/dbraw/zinc/62/34/54/772623454.db2.gz ZHRWDCJHOGVPRJ-UHFFFAOYSA-N 1 2 325.376 0.529 20 30 ECEDLO C#CCCCCC(=O)NCCN(CCO)C(=O)CCc1[nH]cc[nH+]1 ZINC001057458232 772643343 /nfs/dbraw/zinc/64/33/43/772643343.db2.gz QFORFJFBXMRNIZ-UHFFFAOYSA-N 1 2 334.420 0.473 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC(CNc2nccnc2C#N)CC1 ZINC001057505774 772695272 /nfs/dbraw/zinc/69/52/72/772695272.db2.gz GQJJOKYALIEKLE-UHFFFAOYSA-N 1 2 339.403 0.975 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC(CNc2cncc(C#N)n2)CC1 ZINC001057506664 772695407 /nfs/dbraw/zinc/69/54/07/772695407.db2.gz ZYCHSDNDJHPNIZ-UHFFFAOYSA-N 1 2 339.403 0.975 20 30 ECEDLO C[C@H](Nc1ccnc(C#N)n1)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001058025351 773382558 /nfs/dbraw/zinc/38/25/58/773382558.db2.gz AJNJTLIDRZVLSY-JSGCOSHPSA-N 1 2 339.403 0.917 20 30 ECEDLO C=C1CCC(C(=O)NCCN(CCO)C(=O)Cc2c[nH+]cn2C)CC1 ZINC001058158192 773660775 /nfs/dbraw/zinc/66/07/75/773660775.db2.gz RUFITCQWSRKGEO-UHFFFAOYSA-N 1 2 348.447 0.646 20 30 ECEDLO C=CC(C)(C)C(=O)N(CCO)CCNC(=O)CCc1c[nH+]cn1C ZINC001058302444 773936811 /nfs/dbraw/zinc/93/68/11/773936811.db2.gz TZCSJZYFQIVVRB-UHFFFAOYSA-N 1 2 336.436 0.502 20 30 ECEDLO C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CN1c1cnc(C#N)cn1 ZINC001039819983 783150036 /nfs/dbraw/zinc/15/00/36/783150036.db2.gz YZKQCZQDMZTARA-VXGBXAGGSA-N 1 2 325.376 0.788 20 30 ECEDLO N#Cc1cnc(N2CC[C@H](NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)cn1 ZINC001058542025 774395771 /nfs/dbraw/zinc/39/57/71/774395771.db2.gz YXNRHDPYLRVXTJ-WCQYABFASA-N 1 2 337.387 0.886 20 30 ECEDLO C=CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001058623310 774560827 /nfs/dbraw/zinc/56/08/27/774560827.db2.gz NTBMFNYFCIXDKN-OAHLLOKOSA-N 1 2 348.447 0.739 20 30 ECEDLO Cc1cc(C#N)nc(N2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)n1 ZINC001040659865 783200635 /nfs/dbraw/zinc/20/06/35/783200635.db2.gz XSFZKYOUPQSJNZ-DZGCQCFKSA-N 1 2 337.387 0.591 20 30 ECEDLO C=CCCn1cc(C(=O)N2CCC[C@H]2C[NH2+]Cc2nc(C)no2)nn1 ZINC001045234825 775195173 /nfs/dbraw/zinc/19/51/73/775195173.db2.gz DBFRXEKBOMEZEG-ZDUSSCGKSA-N 1 2 345.407 0.940 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1C[NH+](CCn2nc(C)nc2C)C1 ZINC001043924318 775325644 /nfs/dbraw/zinc/32/56/44/775325644.db2.gz XFAVLLLZHDPWLT-CVEARBPZSA-N 1 2 333.436 0.629 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2conc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070022211 790355036 /nfs/dbraw/zinc/35/50/36/790355036.db2.gz BPRGVFYJYGSPIQ-KGLIPLIRSA-N 1 2 328.376 0.985 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2conc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070022211 790355048 /nfs/dbraw/zinc/35/50/48/790355048.db2.gz BPRGVFYJYGSPIQ-KGLIPLIRSA-N 1 2 328.376 0.985 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2conc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070023176 790358832 /nfs/dbraw/zinc/35/88/32/790358832.db2.gz GDHYEBFTANNWHM-CABCVRRESA-N 1 2 340.387 0.822 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2conc2C2CC2)[C@@H](n2ccnn2)C1 ZINC001070023176 790358845 /nfs/dbraw/zinc/35/88/45/790358845.db2.gz GDHYEBFTANNWHM-CABCVRRESA-N 1 2 340.387 0.822 20 30 ECEDLO C=CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001045458627 775641734 /nfs/dbraw/zinc/64/17/34/775641734.db2.gz JDVIKCJOSHFHPR-CQSZACIVSA-N 1 2 346.431 0.491 20 30 ECEDLO C=CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001045459132 775642825 /nfs/dbraw/zinc/64/28/25/775642825.db2.gz VEXUNAHAGBMZIF-ZDUSSCGKSA-N 1 2 346.431 0.875 20 30 ECEDLO C=CCC1(C(=O)N2CC(O)(CNC(=O)Cc3[nH]c[nH+]c3C)C2)CCC1 ZINC001044323971 776156391 /nfs/dbraw/zinc/15/63/91/776156391.db2.gz ZBOZNXOGZCMBMJ-UHFFFAOYSA-N 1 2 346.431 0.697 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cn(CC)nc2C)[C@@H](n2ccnn2)C1 ZINC001070041196 790424048 /nfs/dbraw/zinc/42/40/48/790424048.db2.gz YAVLLFCNZIPFMX-CABCVRRESA-N 1 2 327.392 0.091 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn(CC)nc2C)[C@@H](n2ccnn2)C1 ZINC001070041196 790424053 /nfs/dbraw/zinc/42/40/53/790424053.db2.gz YAVLLFCNZIPFMX-CABCVRRESA-N 1 2 327.392 0.091 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnn(CCC)c2)[C@@H](n2ccnn2)C1 ZINC001070042566 790430100 /nfs/dbraw/zinc/43/01/00/790430100.db2.gz SFVBMPMHKWECNS-CABCVRRESA-N 1 2 327.392 0.173 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CCC)c2)[C@@H](n2ccnn2)C1 ZINC001070042566 790430110 /nfs/dbraw/zinc/43/01/10/790430110.db2.gz SFVBMPMHKWECNS-CABCVRRESA-N 1 2 327.392 0.173 20 30 ECEDLO C=C[C@](C)(O)CC(=O)N(CC)C1CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001079686377 776684732 /nfs/dbraw/zinc/68/47/32/776684732.db2.gz BMILUSWKJPMIKW-KRWDZBQOSA-N 1 2 334.420 0.647 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2c[nH]c(C)cc2=O)[C@@H](n2ccnn2)C1 ZINC001070069276 790500285 /nfs/dbraw/zinc/50/02/85/790500285.db2.gz XAYNUZRWWPCOKD-KGLIPLIRSA-N 1 2 328.376 0.116 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(C)cc2=O)[C@@H](n2ccnn2)C1 ZINC001070069276 790500293 /nfs/dbraw/zinc/50/02/93/790500293.db2.gz XAYNUZRWWPCOKD-KGLIPLIRSA-N 1 2 328.376 0.116 20 30 ECEDLO C=CCOCC(=O)NC[C@@H]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)O1 ZINC001068539036 790515194 /nfs/dbraw/zinc/51/51/94/790515194.db2.gz DZUPWXLKWDKKEB-AWEZNQCLSA-N 1 2 348.403 0.031 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)Cn3cncc3C)C2)C1=O ZINC001080137515 777441088 /nfs/dbraw/zinc/44/10/88/777441088.db2.gz GALLGNWBWNTMRM-BMFZPTHFSA-N 1 2 345.447 0.415 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cn3cncc3C)C2)C1=O ZINC001080137515 777441094 /nfs/dbraw/zinc/44/10/94/777441094.db2.gz GALLGNWBWNTMRM-BMFZPTHFSA-N 1 2 345.447 0.415 20 30 ECEDLO C=CCOCC(=O)N1CC(N(CC)C(=O)CCc2[nH+]ccn2C)C1 ZINC001080241593 777596690 /nfs/dbraw/zinc/59/66/90/777596690.db2.gz LGAWOROVOIAWGZ-UHFFFAOYSA-N 1 2 334.420 0.615 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2[nH]nc3ccccc32)[C@@H](n2ccnn2)C1 ZINC001070087745 790561782 /nfs/dbraw/zinc/56/17/82/790561782.db2.gz HDXKPSUHFMNIBH-CABCVRRESA-N 1 2 335.371 0.443 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2[nH]nc3ccccc32)[C@@H](n2ccnn2)C1 ZINC001070087745 790561791 /nfs/dbraw/zinc/56/17/91/790561791.db2.gz HDXKPSUHFMNIBH-CABCVRRESA-N 1 2 335.371 0.443 20 30 ECEDLO CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001080417093 777822033 /nfs/dbraw/zinc/82/20/33/777822033.db2.gz VRPDUDZQLWCLGH-STQMWFEESA-N 1 2 329.404 0.664 20 30 ECEDLO C[C@@H](C#N)C(=O)NCC1(NC(=O)CCc2[nH]cc[nH+]2)CCOCC1 ZINC001070094328 790581781 /nfs/dbraw/zinc/58/17/81/790581781.db2.gz JXJNPOMGPJFHAC-LBPRGKRZSA-N 1 2 333.392 0.284 20 30 ECEDLO O=C(C#CC1CC1)NC[C@@H]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)O1 ZINC001068570965 790599621 /nfs/dbraw/zinc/59/96/21/790599621.db2.gz GSUVWLUPNRBPSH-HNNXBMFYSA-N 1 2 342.399 0.173 20 30 ECEDLO C=CCCC(=O)N1CC(O)(CNC(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001043438808 778336573 /nfs/dbraw/zinc/33/65/73/778336573.db2.gz GXFSASMQLMPWDS-INIZCTEOSA-N 1 2 346.431 0.340 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001043524813 778465209 /nfs/dbraw/zinc/46/52/09/778465209.db2.gz BTMNWKWVZIARHH-UHFFFAOYSA-N 1 2 334.420 0.634 20 30 ECEDLO C=C(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001043524813 778465216 /nfs/dbraw/zinc/46/52/16/778465216.db2.gz BTMNWKWVZIARHH-UHFFFAOYSA-N 1 2 334.420 0.634 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C(C)(C)C2CC2)C1 ZINC001043652598 778671664 /nfs/dbraw/zinc/67/16/64/778671664.db2.gz ZSESWFXILRRFPN-HNNXBMFYSA-N 1 2 347.459 0.210 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C(C)(C)C2CC2)C1 ZINC001043652598 778671669 /nfs/dbraw/zinc/67/16/69/778671669.db2.gz ZSESWFXILRRFPN-HNNXBMFYSA-N 1 2 347.459 0.210 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CC(C)=C(C)C)C1 ZINC001043652577 778671769 /nfs/dbraw/zinc/67/17/69/778671769.db2.gz ZEYYKKCKYWTYDT-INIZCTEOSA-N 1 2 347.459 0.520 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CC(C)=C(C)C)C1 ZINC001043652577 778671775 /nfs/dbraw/zinc/67/17/75/778671775.db2.gz ZEYYKKCKYWTYDT-INIZCTEOSA-N 1 2 347.459 0.520 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC23CCOCC3)[C@@H](n2ccnn2)C1 ZINC001070116213 790659200 /nfs/dbraw/zinc/65/92/00/790659200.db2.gz SNDQUQSUFSRQGE-XHSDSOJGSA-N 1 2 343.431 0.460 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC23CCOCC3)[C@@H](n2ccnn2)C1 ZINC001070116213 790659211 /nfs/dbraw/zinc/65/92/11/790659211.db2.gz SNDQUQSUFSRQGE-XHSDSOJGSA-N 1 2 343.431 0.460 20 30 ECEDLO C=CCOCC(=O)N1CC2(C1)CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)O2 ZINC001068613220 790710170 /nfs/dbraw/zinc/71/01/70/790710170.db2.gz SMHKIIZPNHRTTK-ZDUSSCGKSA-N 1 2 348.403 0.031 20 30 ECEDLO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)C[C@H]21 ZINC001042273631 779958267 /nfs/dbraw/zinc/95/82/67/779958267.db2.gz UFRYPXBIIFBEFG-GXTWGEPZSA-N 1 2 342.403 0.180 20 30 ECEDLO C=CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)C[C@H]21 ZINC001042273631 779958274 /nfs/dbraw/zinc/95/82/74/779958274.db2.gz UFRYPXBIIFBEFG-GXTWGEPZSA-N 1 2 342.403 0.180 20 30 ECEDLO C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)NC(=O)C#CC1CC1 ZINC001078522443 780080056 /nfs/dbraw/zinc/08/00/56/780080056.db2.gz MZNZNKOMHVVMQA-NWANDNLSSA-N 1 2 328.416 0.948 20 30 ECEDLO C#CCOCCC(=O)N[C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001078526846 780084630 /nfs/dbraw/zinc/08/46/30/780084630.db2.gz CEUBNHOTVMEZII-RRFJBIMHSA-N 1 2 346.431 0.575 20 30 ECEDLO CN(C(=O)CSCC#N)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001078837113 780549174 /nfs/dbraw/zinc/54/91/74/780549174.db2.gz YFRMQKRLVLYQBY-CQSZACIVSA-N 1 2 349.460 0.979 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N(C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001078962727 780657617 /nfs/dbraw/zinc/65/76/17/780657617.db2.gz WHWPBLGXMOJENS-GOEBONIOSA-N 1 2 346.431 0.830 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ncn(C)n2)C1 ZINC001079134813 780797875 /nfs/dbraw/zinc/79/78/75/780797875.db2.gz SWGILAFKMNOLIW-HZPDHXFCSA-N 1 2 339.399 0.136 20 30 ECEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2ncn(C)n2)C1 ZINC001079134813 780797883 /nfs/dbraw/zinc/79/78/83/780797883.db2.gz SWGILAFKMNOLIW-HZPDHXFCSA-N 1 2 339.399 0.136 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2nonc2C)C1 ZINC001079147360 780815644 /nfs/dbraw/zinc/81/56/44/780815644.db2.gz LKFIZTXPQUWSJA-HZPDHXFCSA-N 1 2 340.383 0.699 20 30 ECEDLO C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)c2nonc2C)C1 ZINC001079147360 780815655 /nfs/dbraw/zinc/81/56/55/780815655.db2.gz LKFIZTXPQUWSJA-HZPDHXFCSA-N 1 2 340.383 0.699 20 30 ECEDLO CO[C@@H]1CN(c2nc(C)ccc2C#N)C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001042872479 780972865 /nfs/dbraw/zinc/97/28/65/780972865.db2.gz NZRLEJYSYMVUPS-ZIAGYGMSSA-N 1 2 340.387 0.547 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2nccnc2F)C[C@H]1OC ZINC001043017600 781188193 /nfs/dbraw/zinc/18/81/93/781188193.db2.gz FOBOHYJNDAMBIW-HZSPNIEDSA-N 1 2 347.394 0.033 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2nccnc2F)C[C@H]1OC ZINC001043017600 781188198 /nfs/dbraw/zinc/18/81/98/781188198.db2.gz FOBOHYJNDAMBIW-HZSPNIEDSA-N 1 2 347.394 0.033 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(C)nn2)C[C@H]1OC ZINC001043018631 781189677 /nfs/dbraw/zinc/18/96/77/781189677.db2.gz QCGHLKVCRSAYQN-OWCLPIDISA-N 1 2 343.431 0.202 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(C)nn2)C[C@H]1OC ZINC001043018631 781189685 /nfs/dbraw/zinc/18/96/85/781189685.db2.gz QCGHLKVCRSAYQN-OWCLPIDISA-N 1 2 343.431 0.202 20 30 ECEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C3(C)CC(=C)C3)C2)C1=O ZINC001077642034 781410414 /nfs/dbraw/zinc/41/04/14/781410414.db2.gz TULHQCOBLLGUPW-QLFBSQMISA-N 1 2 333.432 0.291 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C)CC(=C)C3)C2)C1=O ZINC001077642034 781410416 /nfs/dbraw/zinc/41/04/16/781410416.db2.gz TULHQCOBLLGUPW-QLFBSQMISA-N 1 2 333.432 0.291 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2c(C)onc2CC)C[C@H]1O ZINC001077694014 781529807 /nfs/dbraw/zinc/52/98/07/781529807.db2.gz AOKYYOFFJIZGAN-YYQUZTFQSA-N 1 2 349.431 0.798 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2c(C)onc2CC)C[C@H]1O ZINC001077694014 781529810 /nfs/dbraw/zinc/52/98/10/781529810.db2.gz AOKYYOFFJIZGAN-YYQUZTFQSA-N 1 2 349.431 0.798 20 30 ECEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC001077747808 781638831 /nfs/dbraw/zinc/63/88/31/781638831.db2.gz YAPTZVJPJSTNQD-GHMZBOCLSA-N 1 2 330.310 0.237 20 30 ECEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC001077747808 781638835 /nfs/dbraw/zinc/63/88/35/781638835.db2.gz YAPTZVJPJSTNQD-GHMZBOCLSA-N 1 2 330.310 0.237 20 30 ECEDLO Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@H]2C)n1 ZINC001040069934 783481385 /nfs/dbraw/zinc/48/13/85/783481385.db2.gz CBGKPODEDFJPMD-AEGPPILISA-N 1 2 344.419 0.389 20 30 ECEDLO Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@H]2C)n1 ZINC001040069934 783481389 /nfs/dbraw/zinc/48/13/89/783481389.db2.gz CBGKPODEDFJPMD-AEGPPILISA-N 1 2 344.419 0.389 20 30 ECEDLO C[C@H]1[C@@H](Nc2ccncc2C#N)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001040071005 783483802 /nfs/dbraw/zinc/48/38/02/783483802.db2.gz SKCDKXVQQGCFOK-NOLJZWGESA-N 1 2 329.404 0.107 20 30 ECEDLO C[C@H]1[C@@H](Nc2ccncc2C#N)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001040071005 783483806 /nfs/dbraw/zinc/48/38/06/783483806.db2.gz SKCDKXVQQGCFOK-NOLJZWGESA-N 1 2 329.404 0.107 20 30 ECEDLO C=CCCC1(C(=O)NC[C@@]2(O)CCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001040811575 783486039 /nfs/dbraw/zinc/48/60/39/783486039.db2.gz CSPNGEXZUZABCJ-SFHVURJKSA-N 1 2 346.431 0.778 20 30 ECEDLO C=CCC1(C(=O)NC[C@]2(O)CCN(C(=O)Cn3cc[nH+]c3)C2)CCC1 ZINC001040814662 783493327 /nfs/dbraw/zinc/49/33/27/783493327.db2.gz JFLRHPJODINSOZ-GOSISDBHSA-N 1 2 346.431 0.709 20 30 ECEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001038121790 783881721 /nfs/dbraw/zinc/88/17/21/783881721.db2.gz ZRTXPLRRPMTIKG-LSDHHAIUSA-N 1 2 342.399 0.536 20 30 ECEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001038121790 783881728 /nfs/dbraw/zinc/88/17/28/783881728.db2.gz ZRTXPLRRPMTIKG-LSDHHAIUSA-N 1 2 342.399 0.536 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C(N)=O)c2)[nH]1 ZINC001038170618 783946521 /nfs/dbraw/zinc/94/65/21/783946521.db2.gz UGVIBIBYESRXBD-HNNXBMFYSA-N 1 2 337.383 0.990 20 30 ECEDLO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C(N)=O)c2)[nH]1 ZINC001038170618 783946528 /nfs/dbraw/zinc/94/65/28/783946528.db2.gz UGVIBIBYESRXBD-HNNXBMFYSA-N 1 2 337.383 0.990 20 30 ECEDLO C#CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCOC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442047 784082397 /nfs/dbraw/zinc/08/23/97/784082397.db2.gz CBXCBTOVRPOACK-UONOGXRCSA-N 1 2 329.404 0.011 20 30 ECEDLO CC#CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC001070903207 784083198 /nfs/dbraw/zinc/08/31/98/784083198.db2.gz 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C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ccc(COC)o2)CC1 ZINC001070979278 784303232 /nfs/dbraw/zinc/30/32/32/784303232.db2.gz ZKCTZOHKAWUDGQ-UHFFFAOYSA-N 1 2 347.415 0.713 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ccc(COC)o2)CC1 ZINC001070979278 784303240 /nfs/dbraw/zinc/30/32/40/784303240.db2.gz ZKCTZOHKAWUDGQ-UHFFFAOYSA-N 1 2 347.415 0.713 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)c2c(C)nn(C)c2C)CC1 ZINC001070983880 784318728 /nfs/dbraw/zinc/31/87/28/784318728.db2.gz KDAXXYMQBICPNA-UHFFFAOYSA-N 1 2 333.436 0.487 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)c2c(C)nn(C)c2C)CC1 ZINC001070983880 784318732 /nfs/dbraw/zinc/31/87/32/784318732.db2.gz KDAXXYMQBICPNA-UHFFFAOYSA-N 1 2 333.436 0.487 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C[C@H](C)n2ccc(C)n2)CC1 ZINC001070985923 784327951 /nfs/dbraw/zinc/32/79/51/784327951.db2.gz YHDNZSVUQHRPFX-INIZCTEOSA-N 1 2 347.463 0.979 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C[C@H](C)n2ccc(C)n2)CC1 ZINC001070985923 784327960 /nfs/dbraw/zinc/32/79/60/784327960.db2.gz YHDNZSVUQHRPFX-INIZCTEOSA-N 1 2 347.463 0.979 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CCC(=O)NCC[N@@H+](CCOC)CC1 ZINC001070994908 784351718 /nfs/dbraw/zinc/35/17/18/784351718.db2.gz JHMSJUSDAUAGFA-KRWDZBQOSA-N 1 2 325.453 0.886 20 30 ECEDLO C=C[C@@](C)(CC)C(=O)N1CCC(=O)NCC[N@H+](CCOC)CC1 ZINC001070994908 784351723 /nfs/dbraw/zinc/35/17/23/784351723.db2.gz JHMSJUSDAUAGFA-KRWDZBQOSA-N 1 2 325.453 0.886 20 30 ECEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCc3n[nH]cc3C2)CC1 ZINC001071015539 784421391 /nfs/dbraw/zinc/42/13/91/784421391.db2.gz JEGGVSBAGPWIJN-CQSZACIVSA-N 1 2 345.447 0.351 20 30 ECEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCc3n[nH]cc3C2)CC1 ZINC001071015539 784421397 /nfs/dbraw/zinc/42/13/97/784421397.db2.gz JEGGVSBAGPWIJN-CQSZACIVSA-N 1 2 345.447 0.351 20 30 ECEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2cn(CC)cn2)CC1 ZINC001071015649 784422441 /nfs/dbraw/zinc/42/24/41/784422441.db2.gz NRALRCPNXZZYOY-UHFFFAOYSA-N 1 2 331.420 0.190 20 30 ECEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2cn(CC)cn2)CC1 ZINC001071015649 784422444 /nfs/dbraw/zinc/42/24/44/784422444.db2.gz NRALRCPNXZZYOY-UHFFFAOYSA-N 1 2 331.420 0.190 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC[C@@H]2CCCO2)C[C@H]1NCC#N ZINC001070622709 784451569 /nfs/dbraw/zinc/45/15/69/784451569.db2.gz SVYSGWMAKNFWSY-RRFJBIMHSA-N 1 2 331.420 0.787 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001071031845 784461196 /nfs/dbraw/zinc/46/11/96/784461196.db2.gz GFLULKWQGCWJLO-LSDHHAIUSA-N 1 2 332.404 0.419 20 30 ECEDLO CCc1nc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)co1 ZINC001070641129 784479817 /nfs/dbraw/zinc/47/98/17/784479817.db2.gz STTZTCMJISBSQT-VXGBXAGGSA-N 1 2 328.376 0.692 20 30 ECEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cnc3n2CCC3)C[C@H]1NCC#N ZINC001070656450 784508402 /nfs/dbraw/zinc/50/84/02/784508402.db2.gz GZRMYRSZMNKZDX-CHWSQXEVSA-N 1 2 339.403 0.284 20 30 ECEDLO Cc1ncc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)n1C ZINC001070682253 784545390 /nfs/dbraw/zinc/54/53/90/784545390.db2.gz RFDDSZFOVFGGJV-CHWSQXEVSA-N 1 2 327.392 0.183 20 30 ECEDLO C#Cc1cncc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)c1 ZINC001070687931 784553159 /nfs/dbraw/zinc/55/31/59/784553159.db2.gz FSDLWJJPRIAYGB-HZPDHXFCSA-N 1 2 334.383 0.518 20 30 ECEDLO C#CCO[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001070731915 784622697 /nfs/dbraw/zinc/62/26/97/784622697.db2.gz QASPNBCUSYXVAX-LSDHHAIUSA-N 1 2 332.404 0.419 20 30 ECEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)C(C)(C)C(N)=O)C[C@H](C)O2 ZINC001071178095 784670968 /nfs/dbraw/zinc/67/09/68/784670968.db2.gz KLXMLRCNXUZDBA-LRDDRELGSA-N 1 2 343.855 0.942 20 30 ECEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C(C)(C)C(N)=O)C[C@H](C)O2 ZINC001071178095 784670970 /nfs/dbraw/zinc/67/09/70/784670970.db2.gz KLXMLRCNXUZDBA-LRDDRELGSA-N 1 2 343.855 0.942 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001070888051 784793688 /nfs/dbraw/zinc/79/36/88/784793688.db2.gz AXOCOWWLPUPIHR-RHSMWYFYSA-N 1 2 334.420 0.777 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001070888051 784793694 /nfs/dbraw/zinc/79/36/94/784793694.db2.gz AXOCOWWLPUPIHR-RHSMWYFYSA-N 1 2 334.420 0.777 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@H]3CCOC3)C2)C(=O)C1 ZINC001071255030 784849432 /nfs/dbraw/zinc/84/94/32/784849432.db2.gz CNQNFRODJPKOIG-HOTGVXAUSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@H]3CCOC3)C2)C(=O)C1 ZINC001071255030 784849436 /nfs/dbraw/zinc/84/94/36/784849436.db2.gz CNQNFRODJPKOIG-HOTGVXAUSA-N 1 2 333.432 0.181 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)C3CC(OC)C3)C2)C(=O)C1 ZINC001071267767 784894148 /nfs/dbraw/zinc/89/41/48/784894148.db2.gz PVIFYPUGHZMTQP-CGZBRXJRSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)C3CC(OC)C3)C2)C(=O)C1 ZINC001071267767 784894152 /nfs/dbraw/zinc/89/41/52/784894152.db2.gz PVIFYPUGHZMTQP-CGZBRXJRSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CCN1CCN([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C(=O)C1 ZINC001071270279 784900588 /nfs/dbraw/zinc/90/05/88/784900588.db2.gz AJXNWZCFIVEJTF-INIZCTEOSA-N 1 2 343.431 0.042 20 30 ECEDLO C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)C3(CF)CC3)C2)C(=O)C1 ZINC001071271958 784905279 /nfs/dbraw/zinc/90/52/79/784905279.db2.gz BXOOEHFDJSBVMK-HNNXBMFYSA-N 1 2 335.423 0.895 20 30 ECEDLO C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)C3(CF)CC3)C2)C(=O)C1 ZINC001071271958 784905283 /nfs/dbraw/zinc/90/52/83/784905283.db2.gz BXOOEHFDJSBVMK-HNNXBMFYSA-N 1 2 335.423 0.895 20 30 ECEDLO CC#CCN1CCN([C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C(=O)C1 ZINC001071275600 784916578 /nfs/dbraw/zinc/91/65/78/784916578.db2.gz LAJRSIJQPIYMGE-HNNXBMFYSA-N 1 2 343.431 0.111 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[C@H](N3CC[N@@H+](CC)CC3=O)C2)nc1 ZINC001071276767 784919819 /nfs/dbraw/zinc/91/98/19/784919819.db2.gz AJOMIOLCMUGXDT-INIZCTEOSA-N 1 2 340.427 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N2CCC[C@H](N3CC[N@H+](CC)CC3=O)C2)nc1 ZINC001071276767 784919822 /nfs/dbraw/zinc/91/98/22/784919822.db2.gz AJOMIOLCMUGXDT-INIZCTEOSA-N 1 2 340.427 0.832 20 30 ECEDLO C#CCCN1CCN([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C(=O)C1 ZINC001071278498 784925787 /nfs/dbraw/zinc/92/57/87/784925787.db2.gz DUFAWUCEJZUQNB-INIZCTEOSA-N 1 2 343.431 0.042 20 30 ECEDLO CC#CCN1CCN([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C(=O)C1 ZINC001071279939 784927401 /nfs/dbraw/zinc/92/74/01/784927401.db2.gz ZNSGVSRSGLRNKR-MRXNPFEDSA-N 1 2 343.431 0.042 20 30 ECEDLO C=CCOCCCC(=O)N1C[C@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001071877666 785258877 /nfs/dbraw/zinc/25/88/77/785258877.db2.gz GXSLDTBFESATLF-LSDHHAIUSA-N 1 2 334.420 0.829 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001071657619 785462852 /nfs/dbraw/zinc/46/28/52/785462852.db2.gz GGYUWMYRIZJAIV-UONOGXRCSA-N 1 2 349.460 0.883 20 30 ECEDLO C#CC[N@@H+]1C[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)CC[C@H]1C ZINC001071660285 785467922 /nfs/dbraw/zinc/46/79/22/785467922.db2.gz SRODPRPXQMBMCF-HUUCEWRRSA-N 1 2 332.448 0.977 20 30 ECEDLO C#CC[N@H+]1C[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)CC[C@H]1C ZINC001071660285 785467930 /nfs/dbraw/zinc/46/79/30/785467930.db2.gz SRODPRPXQMBMCF-HUUCEWRRSA-N 1 2 332.448 0.977 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001071661156 785470865 /nfs/dbraw/zinc/47/08/65/785470865.db2.gz GQUHTKXCCCYWEM-NWDGAFQWSA-N 1 2 335.433 0.562 20 30 ECEDLO C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001071661157 785470977 /nfs/dbraw/zinc/47/09/77/785470977.db2.gz GQUHTKXCCCYWEM-RYUDHWBXSA-N 1 2 335.433 0.562 20 30 ECEDLO C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001071661252 785472175 /nfs/dbraw/zinc/47/21/75/785472175.db2.gz HWNRAWUVFVEJSM-DGCLKSJQSA-N 1 2 335.433 0.182 20 30 ECEDLO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC[C@H]1C ZINC001072098576 785666498 /nfs/dbraw/zinc/66/64/98/785666498.db2.gz CKUIVEMSRBEGQO-MNOVXSKESA-N 1 2 340.815 0.099 20 30 ECEDLO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC[C@H]1C ZINC001072098576 785666507 /nfs/dbraw/zinc/66/65/07/785666507.db2.gz CKUIVEMSRBEGQO-MNOVXSKESA-N 1 2 340.815 0.099 20 30 ECEDLO C=CCCOCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001072429375 786170846 /nfs/dbraw/zinc/17/08/46/786170846.db2.gz FRWJOUVTSMBLJZ-DZGCQCFKSA-N 1 2 334.420 0.518 20 30 ECEDLO C=CCCOCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001072429377 786170963 /nfs/dbraw/zinc/17/09/63/786170963.db2.gz FRWJOUVTSMBLJZ-UKRRQHHQSA-N 1 2 334.420 0.518 20 30 ECEDLO COCc1noc([C@H](C)[N@@H+]2CCC3(CN(C(=O)[C@H](C)C#N)C3)C2)n1 ZINC001072552022 786355671 /nfs/dbraw/zinc/35/56/71/786355671.db2.gz LMZRBZMFGINCQP-NEPJUHHUSA-N 1 2 333.392 0.971 20 30 ECEDLO COCc1noc([C@H](C)[N@H+]2CCC3(CN(C(=O)[C@H](C)C#N)C3)C2)n1 ZINC001072552022 786355675 /nfs/dbraw/zinc/35/56/75/786355675.db2.gz LMZRBZMFGINCQP-NEPJUHHUSA-N 1 2 333.392 0.971 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1nnc3n1CCCC3)C2 ZINC001072551868 786356203 /nfs/dbraw/zinc/35/62/03/786356203.db2.gz KCCSPHNIAHBBPT-CYBMUJFWSA-N 1 2 328.420 0.808 20 30 ECEDLO C[C@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](Cc1nnc3n1CCCC3)C2 ZINC001072551868 786356210 /nfs/dbraw/zinc/35/62/10/786356210.db2.gz KCCSPHNIAHBBPT-CYBMUJFWSA-N 1 2 328.420 0.808 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@H+](Cc1cn(CC3CC3)nn1)C2 ZINC001072553111 786357503 /nfs/dbraw/zinc/35/75/03/786357503.db2.gz VYWCBXGQGATYKA-ZDUSSCGKSA-N 1 2 328.420 0.882 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CC[N@@H+](Cc1cn(CC3CC3)nn1)C2 ZINC001072553111 786357508 /nfs/dbraw/zinc/35/75/08/786357508.db2.gz VYWCBXGQGATYKA-ZDUSSCGKSA-N 1 2 328.420 0.882 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001073517834 786453463 /nfs/dbraw/zinc/45/34/63/786453463.db2.gz ABLZILMIPNFFOY-OAHLLOKOSA-N 1 2 346.431 0.735 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3cnn(C)c3C)C[C@H]21 ZINC001074258984 786533361 /nfs/dbraw/zinc/53/33/61/786533361.db2.gz GDCNQVAKEDWHAN-IAGOWNOFSA-N 1 2 330.432 0.596 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3cnn(C)c3C)C[C@H]21 ZINC001074258984 786533362 /nfs/dbraw/zinc/53/33/62/786533362.db2.gz GDCNQVAKEDWHAN-IAGOWNOFSA-N 1 2 330.432 0.596 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C(C)(C)C)nn3)C[C@H]21 ZINC001074260697 786536721 /nfs/dbraw/zinc/53/67/21/786536721.db2.gz YPRNCKJKUKXYEF-HZPDHXFCSA-N 1 2 345.447 0.972 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cn(C(C)(C)C)nn3)C[C@H]21 ZINC001074260697 786536725 /nfs/dbraw/zinc/53/67/25/786536725.db2.gz YPRNCKJKUKXYEF-HZPDHXFCSA-N 1 2 345.447 0.972 20 30 ECEDLO C#CCOCCC(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC001074263792 786540299 /nfs/dbraw/zinc/54/02/99/786540299.db2.gz PBQAOLVYDSAALK-DZGCQCFKSA-N 1 2 332.404 0.345 20 30 ECEDLO C=CCn1cccc1C(=O)N1CC[C@H]2OCC[N@@H+](CCCO)[C@H]2C1 ZINC001074269134 786552798 /nfs/dbraw/zinc/55/27/98/786552798.db2.gz SAANKDHZIMBGQH-DLBZAZTESA-N 1 2 333.432 0.972 20 30 ECEDLO C=CCn1cccc1C(=O)N1CC[C@H]2OCC[N@H+](CCCO)[C@H]2C1 ZINC001074269134 786552803 /nfs/dbraw/zinc/55/28/03/786552803.db2.gz SAANKDHZIMBGQH-DLBZAZTESA-N 1 2 333.432 0.972 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21 ZINC001074283670 786587919 /nfs/dbraw/zinc/58/79/19/786587919.db2.gz GFTYVOOREXWKTK-HOTGVXAUSA-N 1 2 335.448 0.877 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21 ZINC001074283670 786587926 /nfs/dbraw/zinc/58/79/26/786587926.db2.gz GFTYVOOREXWKTK-HOTGVXAUSA-N 1 2 335.448 0.877 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@H]21 ZINC001074283671 786588119 /nfs/dbraw/zinc/58/81/19/786588119.db2.gz GFTYVOOREXWKTK-HZPDHXFCSA-N 1 2 335.448 0.877 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@H]21 ZINC001074283671 786588127 /nfs/dbraw/zinc/58/81/27/786588127.db2.gz GFTYVOOREXWKTK-HZPDHXFCSA-N 1 2 335.448 0.877 20 30 ECEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)c3cnn(C)c3CC)C[C@@H]21 ZINC001074285765 786595849 /nfs/dbraw/zinc/59/58/49/786595849.db2.gz GWFKZCLNQXRIHK-IRXDYDNUSA-N 1 2 330.432 0.921 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cnn(C)c3CC)C[C@@H]21 ZINC001074285765 786595857 /nfs/dbraw/zinc/59/58/57/786595857.db2.gz GWFKZCLNQXRIHK-IRXDYDNUSA-N 1 2 330.432 0.921 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)COc3cnn(C)c3)C[C@@H]21 ZINC001074322839 786674205 /nfs/dbraw/zinc/67/42/05/786674205.db2.gz YHLLVRFYBYUQDQ-JKSUJKDBSA-N 1 2 332.404 0.124 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)COc3cnn(C)c3)C[C@@H]21 ZINC001074322839 786674211 /nfs/dbraw/zinc/67/42/11/786674211.db2.gz YHLLVRFYBYUQDQ-JKSUJKDBSA-N 1 2 332.404 0.124 20 30 ECEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@H]21 ZINC001074340201 786708963 /nfs/dbraw/zinc/70/89/63/786708963.db2.gz GNYKXYPFKCWKPL-HUUCEWRRSA-N 1 2 332.404 0.605 20 30 ECEDLO C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@H]21 ZINC001074340201 786708969 /nfs/dbraw/zinc/70/89/69/786708969.db2.gz GNYKXYPFKCWKPL-HUUCEWRRSA-N 1 2 332.404 0.605 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@@H]3OCC[N@@H+](CCOC)[C@@H]3C2)nn1 ZINC001074353389 786737475 /nfs/dbraw/zinc/73/74/75/786737475.db2.gz DQQQITGLMCMMCD-CVEARBPZSA-N 1 2 349.435 0.416 20 30 ECEDLO C=CCCn1cc(C(=O)N2CC[C@@H]3OCC[N@H+](CCOC)[C@@H]3C2)nn1 ZINC001074353389 786737479 /nfs/dbraw/zinc/73/74/79/786737479.db2.gz DQQQITGLMCMMCD-CVEARBPZSA-N 1 2 349.435 0.416 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3CCN(C(C)=O)CC3)C[C@@H]21 ZINC001074402682 786866443 /nfs/dbraw/zinc/86/64/43/786866443.db2.gz KHFACRMUJYOHAU-ZWKOTPCHSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CCN(C(C)=O)CC3)C[C@@H]21 ZINC001074402682 786866456 /nfs/dbraw/zinc/86/64/56/786866456.db2.gz KHFACRMUJYOHAU-ZWKOTPCHSA-N 1 2 347.459 0.570 20 30 ECEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)c3cncnc3CC)C[C@@H]21 ZINC001074408324 786890278 /nfs/dbraw/zinc/89/02/78/786890278.db2.gz UOGVXNPGWVIXGH-DLBZAZTESA-N 1 2 328.416 0.978 20 30 ECEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cncnc3CC)C[C@@H]21 ZINC001074408324 786890291 /nfs/dbraw/zinc/89/02/91/786890291.db2.gz UOGVXNPGWVIXGH-DLBZAZTESA-N 1 2 328.416 0.978 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001073664541 786911508 /nfs/dbraw/zinc/91/15/08/786911508.db2.gz IJGGZQBVEVDUOJ-KGLIPLIRSA-N 1 2 343.855 0.814 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001073664541 786911516 /nfs/dbraw/zinc/91/15/16/786911516.db2.gz IJGGZQBVEVDUOJ-KGLIPLIRSA-N 1 2 343.855 0.814 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC001073671006 786926598 /nfs/dbraw/zinc/92/65/98/786926598.db2.gz ULNUDUIMQPLJGP-CQSZACIVSA-N 1 2 339.823 0.959 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)c2ccc(=O)n(C)c2)C1 ZINC001073671006 786926608 /nfs/dbraw/zinc/92/66/08/786926608.db2.gz ULNUDUIMQPLJGP-CQSZACIVSA-N 1 2 339.823 0.959 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)CCCO1 ZINC001073810583 787241653 /nfs/dbraw/zinc/24/16/53/787241653.db2.gz XIIOMMRGCCRUIJ-YCPHGPKFSA-N 1 2 339.436 0.050 20 30 ECEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)CCCO1 ZINC001073810583 787241661 /nfs/dbraw/zinc/24/16/61/787241661.db2.gz XIIOMMRGCCRUIJ-YCPHGPKFSA-N 1 2 339.436 0.050 20 30 ECEDLO C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2[nH]nc3c2C[C@H](C)CC3)C1 ZINC001073837832 787318633 /nfs/dbraw/zinc/31/86/33/787318633.db2.gz VJECXALFCDTOLD-ZIAGYGMSSA-N 1 2 330.432 0.988 20 30 ECEDLO C#CC[N@H+]1CCCO[C@H](CNC(=O)c2[nH]nc3c2C[C@H](C)CC3)C1 ZINC001073837832 787318643 /nfs/dbraw/zinc/31/86/43/787318643.db2.gz VJECXALFCDTOLD-ZIAGYGMSSA-N 1 2 330.432 0.988 20 30 ECEDLO C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001073871000 787408000 /nfs/dbraw/zinc/40/80/00/787408000.db2.gz CDPBQCPCVWUUHF-CABCVRRESA-N 1 2 343.855 0.814 20 30 ECEDLO C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001073871000 787408004 /nfs/dbraw/zinc/40/80/04/787408004.db2.gz CDPBQCPCVWUUHF-CABCVRRESA-N 1 2 343.855 0.814 20 30 ECEDLO C=CC(C)(C)C(=O)NCC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001074632226 787454926 /nfs/dbraw/zinc/45/49/26/787454926.db2.gz ZMUWMFHEOCOOQO-UHFFFAOYSA-N 1 2 334.420 0.565 20 30 ECEDLO C[C@H](CC(=O)NCC1(O)CCN(C(=O)[C@@H](C)C#N)CC1)n1cc[nH+]c1 ZINC001074706205 787647183 /nfs/dbraw/zinc/64/71/83/787647183.db2.gz IKTJAGKJSDICFN-UONOGXRCSA-N 1 2 347.419 0.464 20 30 ECEDLO C=CCCOCC(=O)N[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001074029855 787723559 /nfs/dbraw/zinc/72/35/59/787723559.db2.gz LDBLEHTWJDVROZ-HIFRSBDPSA-N 1 2 334.420 0.898 20 30 ECEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCN(C(=O)CSCC#N)C[C@@H]1C ZINC001074090938 787860025 /nfs/dbraw/zinc/86/00/25/787860025.db2.gz RRVGRPUHFLLBSE-WCQYABFASA-N 1 2 349.460 0.871 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC(c2nnc3n2CC[N@@H+](CCF)C3)CC1 ZINC001074106541 787887754 /nfs/dbraw/zinc/88/77/54/787887754.db2.gz ZYPFIGLPQNHAOX-LBPRGKRZSA-N 1 2 334.399 0.929 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC(c2nnc3n2CC[N@H+](CCF)C3)CC1 ZINC001074106541 787887761 /nfs/dbraw/zinc/88/77/61/787887761.db2.gz ZYPFIGLPQNHAOX-LBPRGKRZSA-N 1 2 334.399 0.929 20 30 ECEDLO C=CCOCCCC(=O)N[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001072799553 788824033 /nfs/dbraw/zinc/82/40/33/788824033.db2.gz XKLZAMVWSCEMJY-DZGCQCFKSA-N 1 2 334.420 0.898 20 30 ECEDLO C#CCCCC(=O)N1CCC(C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001072982363 789214346 /nfs/dbraw/zinc/21/43/46/789214346.db2.gz KRDQHCFOWVFVRY-HNNXBMFYSA-N 1 2 335.448 0.618 20 30 ECEDLO C#CCCCC(=O)N1CCC(C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001072982363 789214356 /nfs/dbraw/zinc/21/43/56/789214356.db2.gz KRDQHCFOWVFVRY-HNNXBMFYSA-N 1 2 335.448 0.618 20 30 ECEDLO Cn1c[nH+]cc1CC(=O)N1CCC([C@H]2C[C@@H](NCC#N)CCO2)CC1 ZINC001075397983 789325153 /nfs/dbraw/zinc/32/51/53/789325153.db2.gz VFLDZLBHQIUEDM-DOTOQJQBSA-N 1 2 345.447 0.862 20 30 ECEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001073064761 789374843 /nfs/dbraw/zinc/37/48/43/789374843.db2.gz DMTOLEQGQNGGDK-UHFFFAOYSA-N 1 2 326.198 0.861 20 30 ECEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001073064761 789374852 /nfs/dbraw/zinc/37/48/52/789374852.db2.gz DMTOLEQGQNGGDK-UHFFFAOYSA-N 1 2 326.198 0.861 20 30 ECEDLO C=CCO[C@H](C)C(=O)N1CCC(C)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001073109376 789454707 /nfs/dbraw/zinc/45/47/07/789454707.db2.gz AWDZBNDINXPSIW-CQSZACIVSA-N 1 2 334.420 0.972 20 30 ECEDLO N#Cc1cncc(N2CC[C@@]3(NC(=O)Cn4cc[nH+]c4)CCC[C@H]23)n1 ZINC001069268717 789720509 /nfs/dbraw/zinc/72/05/09/789720509.db2.gz JVBBXOPPRZQIRW-YOEHRIQHSA-N 1 2 337.387 0.863 20 30 ECEDLO C[C@@H]1[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CCCN1c1cncc(C#N)n1 ZINC001069384517 789789988 /nfs/dbraw/zinc/78/99/88/789789988.db2.gz ZBLXPSMEDFFJOV-YPMHNXCESA-N 1 2 325.376 0.788 20 30 ECEDLO N#Cc1nccc(NC[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001069511366 789870533 /nfs/dbraw/zinc/87/05/33/789870533.db2.gz YGLQFGLNOIQHHJ-VXGBXAGGSA-N 1 2 325.376 0.433 20 30 ECEDLO CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1Nc1cnc(C#N)cn1 ZINC001069619467 789935490 /nfs/dbraw/zinc/93/54/90/789935490.db2.gz HSWTVIXLEWNTEY-ZDUSSCGKSA-N 1 2 325.376 0.963 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CC(=O)N(C)C3)c2C1 ZINC001069862559 790116420 /nfs/dbraw/zinc/11/64/20/790116420.db2.gz USUZFEMIDOSWQU-ZDUSSCGKSA-N 1 2 331.420 0.369 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CC(=O)N(C)C3)c2C1 ZINC001069862559 790116425 /nfs/dbraw/zinc/11/64/25/790116425.db2.gz USUZFEMIDOSWQU-ZDUSSCGKSA-N 1 2 331.420 0.369 20 30 ECEDLO C#CCN1CCn2ncc(CNC(=O)[C@H]3CCc4[nH+]ccn4C3)c2C1 ZINC001069865056 790121089 /nfs/dbraw/zinc/12/10/89/790121089.db2.gz SPWNWYIEJCPWIK-AWEZNQCLSA-N 1 2 338.415 0.407 20 30 ECEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CCN(C)C(=O)C3)c2C1 ZINC001069865697 790122761 /nfs/dbraw/zinc/12/27/61/790122761.db2.gz NGYCQSBVMCPRPS-CQSZACIVSA-N 1 2 345.447 0.759 20 30 ECEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CCN(C)C(=O)C3)c2C1 ZINC001069865697 790122764 /nfs/dbraw/zinc/12/27/64/790122764.db2.gz NGYCQSBVMCPRPS-CQSZACIVSA-N 1 2 345.447 0.759 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[C@@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001069928724 790200798 /nfs/dbraw/zinc/20/07/98/790200798.db2.gz HCUOKXLVHHYMKI-PMPSAXMXSA-N 1 2 345.447 0.848 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[C@@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001069928724 790200802 /nfs/dbraw/zinc/20/08/02/790200802.db2.gz HCUOKXLVHHYMKI-PMPSAXMXSA-N 1 2 345.447 0.848 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc3[nH]ccc3c2)[C@@H](n2ccnn2)C1 ZINC001069952307 790233013 /nfs/dbraw/zinc/23/30/13/790233013.db2.gz DMKCJSFQYAEOLV-CABCVRRESA-N 1 2 335.371 0.395 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3[nH]ccc3c2)[C@@H](n2ccnn2)C1 ZINC001069952307 790233018 /nfs/dbraw/zinc/23/30/18/790233018.db2.gz DMKCJSFQYAEOLV-CABCVRRESA-N 1 2 335.371 0.395 20 30 ECEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2n[nH]c3c2CCCC3)[C@@H](n2ccnn2)C1 ZINC001069967071 790254323 /nfs/dbraw/zinc/25/43/23/790254323.db2.gz LFGSSLBWMFYEFG-CABCVRRESA-N 1 2 341.419 0.721 20 30 ECEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2n[nH]c3c2CCCC3)[C@@H](n2ccnn2)C1 ZINC001069967071 790254325 /nfs/dbraw/zinc/25/43/25/790254325.db2.gz LFGSSLBWMFYEFG-CABCVRRESA-N 1 2 341.419 0.721 20 30 ECEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(OC)cc2F)[C@@H](n2ccnn2)C1 ZINC001069968188 790255897 /nfs/dbraw/zinc/25/58/97/790255897.db2.gz LORGZRMHNPSRFN-CVEARBPZSA-N 1 2 343.362 0.714 20 30 ECEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(OC)cc2F)[C@@H](n2ccnn2)C1 ZINC001069968188 790255900 /nfs/dbraw/zinc/25/59/00/790255900.db2.gz LORGZRMHNPSRFN-CVEARBPZSA-N 1 2 343.362 0.714 20 30 ECEDLO Cc1cc(C#N)nc(N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C)n1 ZINC001068863676 791296389 /nfs/dbraw/zinc/29/63/89/791296389.db2.gz BPFYLLLCRWYGNG-OCCSQVGLSA-N 1 2 325.376 0.955 20 30 ECEDLO C[C@@H]1[C@@H](Nc2cncc(C#N)n2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001068872979 791316027 /nfs/dbraw/zinc/31/60/27/791316027.db2.gz UJRVXAHCHFCSOU-RISCZKNCSA-N 1 2 325.376 0.726 20 30 ECEDLO CC(C)C#CC(=O)N1CC2(C1)C[C@H](NC(=O)CCc1c[nH]c[nH+]1)CO2 ZINC001068905115 791384755 /nfs/dbraw/zinc/38/47/55/791384755.db2.gz FQGFXKMBABITEA-HNNXBMFYSA-N 1 2 344.415 0.488 20 30 ECEDLO CC(C)C#CC(=O)N1CC2(C1)C[C@H](NC(=O)CCc1c[nH+]c[nH]1)CO2 ZINC001068905115 791384757 /nfs/dbraw/zinc/38/47/57/791384757.db2.gz FQGFXKMBABITEA-HNNXBMFYSA-N 1 2 344.415 0.488 20 30 ECEDLO C=CCCC(=O)N1CC2(C1)C[C@H](NC(=O)CCc1c[nH+]cn1C)CO2 ZINC001068951652 791491187 /nfs/dbraw/zinc/49/11/87/791491187.db2.gz PDKSDFVQDBAMFM-AWEZNQCLSA-N 1 2 346.431 0.805 20 30 ECEDLO C=CCCCC(=O)N[C@H]1COC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001069000566 791568398 /nfs/dbraw/zinc/56/83/98/791568398.db2.gz HKEWRVGTJYBCKO-CQSZACIVSA-N 1 2 332.404 0.726 20 30 ECEDLO C#CCCCCC(=O)N1CC2(C1)C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)CO2 ZINC001069058783 791665289 /nfs/dbraw/zinc/66/52/89/791665289.db2.gz KEIJGHPYOHCUNL-OAHLLOKOSA-N 1 2 344.415 0.632 20 30 ECEDLO Cc1cc(C#N)nc(N[C@H]2C[C@H](C)N(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC001069116466 791717547 /nfs/dbraw/zinc/71/75/47/791717547.db2.gz RIBAPHZSUWZZOJ-JSGCOSHPSA-N 1 2 325.376 0.955 20 30 ECEDLO CSCC(=O)N1CC[C@H]([NH+]2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC001066697047 792014109 /nfs/dbraw/zinc/01/41/09/792014109.db2.gz XTLGNPXTKGJXTG-AWEZNQCLSA-N 1 2 346.460 0.434 20 30 ECEDLO CC(C)C(=O)N1CC[C@H]([NH+]2CCN(c3nccnc3C#N)CC2)C1 ZINC001066697705 792014247 /nfs/dbraw/zinc/01/42/47/792014247.db2.gz ASDIEEKTKITRBT-AWEZNQCLSA-N 1 2 328.420 0.727 20 30 ECEDLO COCC(=O)N1CC[C@@H]([NH+]2CCN(c3ccncc3C#N)CC2)C1 ZINC001066699168 792021950 /nfs/dbraw/zinc/02/19/50/792021950.db2.gz STRFKPXORNGJPC-OAHLLOKOSA-N 1 2 329.404 0.323 20 30 ECEDLO Cc1nccc(N2CC[NH+]([C@H]3CCN(C(=O)[C@@H](C)C#N)C3)CC2)n1 ZINC001066699138 792022125 /nfs/dbraw/zinc/02/21/25/792022125.db2.gz SADNLZOQBPBYJG-ZFWWWQNUSA-N 1 2 328.420 0.668 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1)c1cnc(C#N)cn1 ZINC001067748697 792219992 /nfs/dbraw/zinc/21/99/92/792219992.db2.gz COGWSRZUJJNTTF-LSDHHAIUSA-N 1 2 344.419 0.106 20 30 ECEDLO CN(C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1)c1cnc(C#N)cn1 ZINC001067748697 792219997 /nfs/dbraw/zinc/21/99/97/792219997.db2.gz COGWSRZUJJNTTF-LSDHHAIUSA-N 1 2 344.419 0.106 20 30 ECEDLO CN(C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1)c1cncc(C#N)n1 ZINC001067772073 792260480 /nfs/dbraw/zinc/26/04/80/792260480.db2.gz MQANEWOSJQCNQE-CYBMUJFWSA-N 1 2 325.376 0.741 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@@](CO)(Nc2[nH+]cnc3c2cnn3C)C1 ZINC001066892851 792299662 /nfs/dbraw/zinc/29/96/62/792299662.db2.gz NRUZFMWZBZVUGO-MEDUHNTESA-N 1 2 343.391 0.288 20 30 ECEDLO N#Cc1cnc(N[C@]2(CO)CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC001066910103 792358708 /nfs/dbraw/zinc/35/87/08/792358708.db2.gz GCDGFYGKCQVCIF-MRXNPFEDSA-N 1 2 341.375 0.079 20 30 ECEDLO N#Cc1cnccc1N[C@@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001066910544 792360525 /nfs/dbraw/zinc/36/05/25/792360525.db2.gz PVHRZCSRXOFWDH-KRWDZBQOSA-N 1 2 340.387 0.106 20 30 ECEDLO C[C@H]1CCN(c2cncc(C#N)n2)C[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067967119 792520716 /nfs/dbraw/zinc/52/07/16/792520716.db2.gz KBWIEJBPLUOVDD-AAEUAGOBSA-N 1 2 325.376 0.645 20 30 ECEDLO C=CCOCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001067001349 792544234 /nfs/dbraw/zinc/54/42/34/792544234.db2.gz VODPBAVCXPMKCU-OAHLLOKOSA-N 1 2 348.447 0.955 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)Cc1ccn[nH]1 ZINC001067072966 792662585 /nfs/dbraw/zinc/66/25/85/792662585.db2.gz PIXOPDSMQAESAH-INIZCTEOSA-N 1 2 345.447 0.357 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)Cc1ccn[nH]1 ZINC001067072966 792662589 /nfs/dbraw/zinc/66/25/89/792662589.db2.gz PIXOPDSMQAESAH-INIZCTEOSA-N 1 2 345.447 0.357 20 30 ECEDLO C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1Nc1ccnc(C#N)n1 ZINC001067122429 792720672 /nfs/dbraw/zinc/72/06/72/792720672.db2.gz AZQWEDHXCKKAFG-YPMHNXCESA-N 1 2 325.376 0.005 20 30 ECEDLO C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1Nc1ccnc(C#N)n1 ZINC001067129140 792730238 /nfs/dbraw/zinc/73/02/38/792730238.db2.gz OMFCRERQEQAVTK-GXTWGEPZSA-N 1 2 339.403 0.395 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001067293386 792948370 /nfs/dbraw/zinc/94/83/70/792948370.db2.gz WIDQLSIFBUBCQK-QGZVFWFLSA-N 1 2 336.436 0.976 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)N(C)CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001067293386 792948379 /nfs/dbraw/zinc/94/83/79/792948379.db2.gz WIDQLSIFBUBCQK-QGZVFWFLSA-N 1 2 336.436 0.976 20 30 ECEDLO C=CCCC(=O)N1CCOC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001068345930 793092278 /nfs/dbraw/zinc/09/22/78/793092278.db2.gz CXQLVMDSVDPQMY-UHFFFAOYSA-N 1 2 332.404 0.748 20 30 ECEDLO C[C@@H]1CN(c2cncc(C#N)n2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001067407296 793112063 /nfs/dbraw/zinc/11/20/63/793112063.db2.gz DXPOSVMAPKNWAI-YPMHNXCESA-N 1 2 325.376 0.645 20 30 ECEDLO C#CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001067427304 793140815 /nfs/dbraw/zinc/14/08/15/793140815.db2.gz QIOFGIBKDUSSED-CQSZACIVSA-N 1 2 334.420 0.606 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2ccnc(C)n2)C1 ZINC001267496301 837567714 /nfs/dbraw/zinc/56/77/14/837567714.db2.gz QLXPCJCBFPWZHZ-OAHLLOKOSA-N 1 2 343.431 0.461 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccnc(C)n2)C1 ZINC001267496301 837567719 /nfs/dbraw/zinc/56/77/19/837567719.db2.gz QLXPCJCBFPWZHZ-OAHLLOKOSA-N 1 2 343.431 0.461 20 30 ECEDLO C=CCn1cc(C(=O)NCC[C@@H]2CC[N@H+](Cc3nncs3)C2)nn1 ZINC001267567054 837787565 /nfs/dbraw/zinc/78/75/65/837787565.db2.gz KRRZOATZDNWUAU-GFCCVEGCSA-N 1 2 347.448 0.958 20 30 ECEDLO C=CCn1cc(C(=O)NCC[C@@H]2CC[N@@H+](Cc3nncs3)C2)nn1 ZINC001267567054 837787573 /nfs/dbraw/zinc/78/75/73/837787573.db2.gz KRRZOATZDNWUAU-GFCCVEGCSA-N 1 2 347.448 0.958 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(CCNC(=O)C2CC(C)C2)CC1 ZINC001266283135 835613712 /nfs/dbraw/zinc/61/37/12/835613712.db2.gz FWDRHYUWLIZSAX-HWOWSKLDSA-N 1 2 336.480 0.457 20 30 ECEDLO CN(C)C(=O)C1CCC(C(=O)NCC[NH+]2CCN(CC#N)CC2)CC1 ZINC001266297151 835645911 /nfs/dbraw/zinc/64/59/11/835645911.db2.gz LAKRLDWCXSFYJQ-UHFFFAOYSA-N 1 2 349.479 0.138 20 30 ECEDLO Cc1noc(Cl)c1CCC(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001266299232 835656002 /nfs/dbraw/zinc/65/60/02/835656002.db2.gz ORCJSABYNWJDAS-UHFFFAOYSA-N 1 2 339.827 0.826 20 30 ECEDLO C#CCCCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(=O)NCCC)C1 ZINC001266313972 835680897 /nfs/dbraw/zinc/68/08/97/835680897.db2.gz DUOVGMGFTIYOIZ-AWEZNQCLSA-N 1 2 336.436 0.606 20 30 ECEDLO C#CCCCCC(=O)N[C@H]1CC[N@H+](CC(=O)NC(=O)NCCC)C1 ZINC001266313972 835680901 /nfs/dbraw/zinc/68/09/01/835680901.db2.gz DUOVGMGFTIYOIZ-AWEZNQCLSA-N 1 2 336.436 0.606 20 30 ECEDLO N#CCNC(=O)CN1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001266326091 835703408 /nfs/dbraw/zinc/70/34/08/835703408.db2.gz XOVKDUWGOCVWFC-GFCCVEGCSA-N 1 2 326.360 0.007 20 30 ECEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1ccccc1-n1cccn1 ZINC001266330031 835710663 /nfs/dbraw/zinc/71/06/63/835710663.db2.gz QSFCSQVWPDZJMJ-UHFFFAOYSA-N 1 2 341.415 0.836 20 30 ECEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccccc1-n1cccn1 ZINC001266330031 835710667 /nfs/dbraw/zinc/71/06/67/835710667.db2.gz QSFCSQVWPDZJMJ-UHFFFAOYSA-N 1 2 341.415 0.836 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+](C)Cc1cc(=O)c(OC)co1 ZINC001266328409 835710750 /nfs/dbraw/zinc/71/07/50/835710750.db2.gz BRHHHFUIZGKCSL-HIFRSBDPSA-N 1 2 336.388 0.788 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](C)Cc1cc(=O)c(OC)co1 ZINC001266328409 835710755 /nfs/dbraw/zinc/71/07/55/835710755.db2.gz BRHHHFUIZGKCSL-HIFRSBDPSA-N 1 2 336.388 0.788 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)cn3ccnc23)C1 ZINC001266331226 835711632 /nfs/dbraw/zinc/71/16/32/835711632.db2.gz NOTSYCUGHHMCDW-CQSZACIVSA-N 1 2 339.399 0.196 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)cn3ccnc23)C1 ZINC001266331226 835711635 /nfs/dbraw/zinc/71/16/35/835711635.db2.gz NOTSYCUGHHMCDW-CQSZACIVSA-N 1 2 339.399 0.196 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H](C=C)CC)C1 ZINC001266336147 835719543 /nfs/dbraw/zinc/71/95/43/835719543.db2.gz KPIOWKJTINBPGN-KBPBESRZSA-N 1 2 336.436 0.791 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H](C=C)CC)C1 ZINC001266336147 835719548 /nfs/dbraw/zinc/71/95/48/835719548.db2.gz KPIOWKJTINBPGN-KBPBESRZSA-N 1 2 336.436 0.791 20 30 ECEDLO C#Cc1ccc(C(=O)NCC[N@@H+](C)CC(=O)N[C@@H](C)C2CC2)cn1 ZINC001266351039 835748678 /nfs/dbraw/zinc/74/86/78/835748678.db2.gz YIXGLCPZAXMEMM-ZDUSSCGKSA-N 1 2 328.416 0.639 20 30 ECEDLO C#Cc1ccc(C(=O)NCC[N@H+](C)CC(=O)N[C@@H](C)C2CC2)cn1 ZINC001266351039 835748683 /nfs/dbraw/zinc/74/86/83/835748683.db2.gz YIXGLCPZAXMEMM-ZDUSSCGKSA-N 1 2 328.416 0.639 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001266461635 835863583 /nfs/dbraw/zinc/86/35/83/835863583.db2.gz SOGCWXXBNGYEQH-CQSZACIVSA-N 1 2 348.447 0.628 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001266461635 835863588 /nfs/dbraw/zinc/86/35/88/835863588.db2.gz SOGCWXXBNGYEQH-CQSZACIVSA-N 1 2 348.447 0.628 20 30 ECEDLO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CS(=O)(=O)NC(C)(C)C ZINC001266502132 835903090 /nfs/dbraw/zinc/90/30/90/835903090.db2.gz XDIKZPBNDPTBGI-BETUJISGSA-N 1 2 329.466 0.566 20 30 ECEDLO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CS(=O)(=O)NC(C)(C)C ZINC001266502132 835903095 /nfs/dbraw/zinc/90/30/95/835903095.db2.gz XDIKZPBNDPTBGI-BETUJISGSA-N 1 2 329.466 0.566 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2nnnn2CCC)C1 ZINC001266513855 835924117 /nfs/dbraw/zinc/92/41/17/835924117.db2.gz IAOXCACGYWAUNY-KBPBESRZSA-N 1 2 334.424 0.060 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2nnnn2CCC)C1 ZINC001266513855 835924129 /nfs/dbraw/zinc/92/41/29/835924129.db2.gz IAOXCACGYWAUNY-KBPBESRZSA-N 1 2 334.424 0.060 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)C(C)=C2CCC2)C1 ZINC001279479728 836144469 /nfs/dbraw/zinc/14/44/69/836144469.db2.gz LCJDPMKSANSTOY-GOSISDBHSA-N 1 2 333.432 0.179 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)C(C)=C2CCC2)C1 ZINC001279479728 836144470 /nfs/dbraw/zinc/14/44/70/836144470.db2.gz LCJDPMKSANSTOY-GOSISDBHSA-N 1 2 333.432 0.179 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2nn(CC)nc2C)C1 ZINC001266750595 836240021 /nfs/dbraw/zinc/24/00/21/836240021.db2.gz ZHUUVQYLTQMCTC-HOTGVXAUSA-N 1 2 347.463 0.973 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+](Cc2nn(CC)nc2C)C1 ZINC001266750595 836240035 /nfs/dbraw/zinc/24/00/35/836240035.db2.gz ZHUUVQYLTQMCTC-HOTGVXAUSA-N 1 2 347.463 0.973 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)F ZINC001266825577 836351961 /nfs/dbraw/zinc/35/19/61/836351961.db2.gz GWELQHDIBCNVNG-GFCCVEGCSA-N 1 2 342.415 0.717 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)F ZINC001266825577 836351971 /nfs/dbraw/zinc/35/19/71/836351971.db2.gz GWELQHDIBCNVNG-GFCCVEGCSA-N 1 2 342.415 0.717 20 30 ECEDLO CN(C(=O)C#CC1CC1)C1CC([NH2+]Cc2nnn(C(C)(C)C)n2)C1 ZINC001279229856 836356036 /nfs/dbraw/zinc/35/60/36/836356036.db2.gz SAKXWQUSJFQZEV-UHFFFAOYSA-N 1 2 330.436 0.921 20 30 ECEDLO C[C@@H]1CN(C(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)C#CC2CC2)CCO1 ZINC001266841914 836368041 /nfs/dbraw/zinc/36/80/41/836368041.db2.gz FBLSJJPITQABLA-WBVHZDCISA-N 1 2 347.459 0.618 20 30 ECEDLO C[C@@H]1CN(C(=O)C[N@H+]2CCCC[C@H]2CNC(=O)C#CC2CC2)CCO1 ZINC001266841914 836368051 /nfs/dbraw/zinc/36/80/51/836368051.db2.gz FBLSJJPITQABLA-WBVHZDCISA-N 1 2 347.459 0.618 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccnc(OC)c1 ZINC001266844691 836371569 /nfs/dbraw/zinc/37/15/69/836371569.db2.gz OLEPFYGFMBDCSK-OAHLLOKOSA-N 1 2 344.415 0.424 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccnc(OC)c1 ZINC001266844691 836371581 /nfs/dbraw/zinc/37/15/81/836371581.db2.gz OLEPFYGFMBDCSK-OAHLLOKOSA-N 1 2 344.415 0.424 20 30 ECEDLO C=CCn1cc(C(=O)NC[C@@H](C)[NH2+][C@@H](C)c2nc(CC)no2)nn1 ZINC001266977725 836549900 /nfs/dbraw/zinc/54/99/00/836549900.db2.gz UQTZLPJFOUGWGR-MNOVXSKESA-N 1 2 333.396 0.879 20 30 ECEDLO C[C@@H]1C[C@@H]1C(=O)NCC[N@H+](C)CC(=O)NCC#Cc1ccccc1 ZINC001267183692 836937622 /nfs/dbraw/zinc/93/76/22/836937622.db2.gz YEUZUZLMSHJRTC-WBVHZDCISA-N 1 2 327.428 0.858 20 30 ECEDLO C[C@@H]1C[C@@H]1C(=O)NCC[N@@H+](C)CC(=O)NCC#Cc1ccccc1 ZINC001267183692 836937630 /nfs/dbraw/zinc/93/76/30/836937630.db2.gz YEUZUZLMSHJRTC-WBVHZDCISA-N 1 2 327.428 0.858 20 30 ECEDLO CC(C)C#CC(=O)NCC[N@H+](C)[C@@H]1CCN(c2ccn(C)n2)C1=O ZINC001267195236 836961208 /nfs/dbraw/zinc/96/12/08/836961208.db2.gz SMXBHNDPGOFFDF-CQSZACIVSA-N 1 2 331.420 0.233 20 30 ECEDLO CC(C)C#CC(=O)NCC[N@@H+](C)[C@@H]1CCN(c2ccn(C)n2)C1=O ZINC001267195236 836961216 /nfs/dbraw/zinc/96/12/16/836961216.db2.gz SMXBHNDPGOFFDF-CQSZACIVSA-N 1 2 331.420 0.233 20 30 ECEDLO C[C@H](Oc1ccccc1F)C(=O)NCC[N@H+](C)CC(=O)NCC#N ZINC001267198584 836968113 /nfs/dbraw/zinc/96/81/13/836968113.db2.gz VGYJUUZUMVTURI-LBPRGKRZSA-N 1 2 336.367 0.281 20 30 ECEDLO C[C@H](Oc1ccccc1F)C(=O)NCC[N@@H+](C)CC(=O)NCC#N ZINC001267198584 836968121 /nfs/dbraw/zinc/96/81/21/836968121.db2.gz VGYJUUZUMVTURI-LBPRGKRZSA-N 1 2 336.367 0.281 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[N@@H+](CC)Cc1cc(=O)n2[nH]ccc2n1 ZINC001267240541 837049174 /nfs/dbraw/zinc/04/91/74/837049174.db2.gz PKCIGTGEAQZKKB-QGZVFWFLSA-N 1 2 347.419 0.288 20 30 ECEDLO C=C[C@@](C)(O)CC(=O)NCC[N@H+](CC)Cc1cc(=O)n2[nH]ccc2n1 ZINC001267240541 837049185 /nfs/dbraw/zinc/04/91/85/837049185.db2.gz PKCIGTGEAQZKKB-QGZVFWFLSA-N 1 2 347.419 0.288 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(=O)c(OC)co1 ZINC001267266725 837103379 /nfs/dbraw/zinc/10/33/79/837103379.db2.gz HQPSWEWUESGELB-AWEZNQCLSA-N 1 2 348.399 0.769 20 30 ECEDLO C#CCOCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(=O)c(OC)co1 ZINC001267266725 837103388 /nfs/dbraw/zinc/10/33/88/837103388.db2.gz HQPSWEWUESGELB-AWEZNQCLSA-N 1 2 348.399 0.769 20 30 ECEDLO N#CCSCC(=O)NC[C@H]1CC[N@@H+](Cc2ncnn2CCF)C1 ZINC001267288419 837138717 /nfs/dbraw/zinc/13/87/17/837138717.db2.gz LINIGOBMTILPDZ-GFCCVEGCSA-N 1 2 340.428 0.442 20 30 ECEDLO N#CCSCC(=O)NC[C@H]1CC[N@H+](Cc2ncnn2CCF)C1 ZINC001267288419 837138721 /nfs/dbraw/zinc/13/87/21/837138721.db2.gz LINIGOBMTILPDZ-GFCCVEGCSA-N 1 2 340.428 0.442 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N(C)CC)C2)nn1 ZINC001267617614 838041509 /nfs/dbraw/zinc/04/15/09/838041509.db2.gz KVGKNSLEVQLMIU-CQSZACIVSA-N 1 2 348.451 0.527 20 30 ECEDLO C=CCCn1cc(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N(C)CC)C2)nn1 ZINC001267617614 838041520 /nfs/dbraw/zinc/04/15/20/838041520.db2.gz KVGKNSLEVQLMIU-CQSZACIVSA-N 1 2 348.451 0.527 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)COc2cccc(C)c2)C1 ZINC001267634328 838102343 /nfs/dbraw/zinc/10/23/43/838102343.db2.gz RKSXPUPATVANCH-INIZCTEOSA-N 1 2 343.427 0.704 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)COc2cccc(C)c2)C1 ZINC001267634328 838102348 /nfs/dbraw/zinc/10/23/48/838102348.db2.gz RKSXPUPATVANCH-INIZCTEOSA-N 1 2 343.427 0.704 20 30 ECEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H](C)Oc2ccccc2F)C1 ZINC001267682528 838241735 /nfs/dbraw/zinc/24/17/35/838241735.db2.gz BGHKZWGMGDTRHY-CYBMUJFWSA-N 1 2 347.390 0.390 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2cn(C(C)C)nc2C)C1 ZINC001267695711 838283164 /nfs/dbraw/zinc/28/31/64/838283164.db2.gz FPKYZKKKDIGUSI-AWEZNQCLSA-N 1 2 345.447 0.572 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2cn(C)nc2C(C)C)C1 ZINC001267698916 838293233 /nfs/dbraw/zinc/29/32/33/838293233.db2.gz JVEIRODCYBZOOL-CYBMUJFWSA-N 1 2 347.463 0.896 20 30 ECEDLO C=CCCOCC(=O)NCC1C[NH+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001267701340 838294636 /nfs/dbraw/zinc/29/46/36/838294636.db2.gz PXBYNDQTPRKVIE-CYBMUJFWSA-N 1 2 330.450 0.062 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(C)(C)O ZINC001267705259 838309110 /nfs/dbraw/zinc/30/91/10/838309110.db2.gz TUZDMRXDONTLHV-GJZGRUSLSA-N 1 2 337.464 0.857 20 30 ECEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(C)(C)O ZINC001267705259 838309116 /nfs/dbraw/zinc/30/91/16/838309116.db2.gz TUZDMRXDONTLHV-GJZGRUSLSA-N 1 2 337.464 0.857 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#CCOC ZINC001267713673 838337084 /nfs/dbraw/zinc/33/70/84/838337084.db2.gz SHUACYUCPOCKIW-YESZJQIVSA-N 1 2 333.432 0.392 20 30 ECEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#CCOC ZINC001267713673 838337092 /nfs/dbraw/zinc/33/70/92/838337092.db2.gz SHUACYUCPOCKIW-YESZJQIVSA-N 1 2 333.432 0.392 20 30 ECEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001267725875 838400292 /nfs/dbraw/zinc/40/02/92/838400292.db2.gz HQVVTXNKRVQLAU-RYUDHWBXSA-N 1 2 328.363 0.642 20 30 ECEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001267725875 838400293 /nfs/dbraw/zinc/40/02/93/838400293.db2.gz HQVVTXNKRVQLAU-RYUDHWBXSA-N 1 2 328.363 0.642 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2([C@@H]3CCCCO3)CCC2)C1 ZINC001267726686 838402322 /nfs/dbraw/zinc/40/23/22/838402322.db2.gz UZJRTGZEZCCYMW-HOTGVXAUSA-N 1 2 347.459 0.666 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2([C@@H]3CCCCO3)CCC2)C1 ZINC001267726686 838402328 /nfs/dbraw/zinc/40/23/28/838402328.db2.gz UZJRTGZEZCCYMW-HOTGVXAUSA-N 1 2 347.459 0.666 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ncccc2OCCC)C1 ZINC001267729653 838415396 /nfs/dbraw/zinc/41/53/96/838415396.db2.gz BCVGQLAYMBNLGQ-AWEZNQCLSA-N 1 2 346.431 0.977 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ncccc2OCCC)C1 ZINC001267729653 838415400 /nfs/dbraw/zinc/41/54/00/838415400.db2.gz BCVGQLAYMBNLGQ-AWEZNQCLSA-N 1 2 346.431 0.977 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2sc(CC)nc2C)C1 ZINC001267730920 838417526 /nfs/dbraw/zinc/41/75/26/838417526.db2.gz GVYMRUNWOLUBOQ-STQMWFEESA-N 1 2 348.472 0.956 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2sc(CC)nc2C)C1 ZINC001267730920 838417528 /nfs/dbraw/zinc/41/75/28/838417528.db2.gz GVYMRUNWOLUBOQ-STQMWFEESA-N 1 2 348.472 0.956 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCCCC)C2)cn1 ZINC001267732617 838421302 /nfs/dbraw/zinc/42/13/02/838421302.db2.gz WTETXZYTMXOCCD-INIZCTEOSA-N 1 2 328.416 0.783 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCCCC)C2)cn1 ZINC001267732617 838421305 /nfs/dbraw/zinc/42/13/05/838421305.db2.gz WTETXZYTMXOCCD-INIZCTEOSA-N 1 2 328.416 0.783 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccc3[nH]ccc3n2)C1 ZINC001267745237 838450080 /nfs/dbraw/zinc/45/00/80/838450080.db2.gz WWUJJWWXULOEMT-CHWSQXEVSA-N 1 2 339.399 0.505 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc3[nH]ccc3n2)C1 ZINC001267745237 838450082 /nfs/dbraw/zinc/45/00/82/838450082.db2.gz WWUJJWWXULOEMT-CHWSQXEVSA-N 1 2 339.399 0.505 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001267747954 838456867 /nfs/dbraw/zinc/45/68/67/838456867.db2.gz IPXJFYUZZFAQHX-CQSZACIVSA-N 1 2 327.388 0.669 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC001267747954 838456872 /nfs/dbraw/zinc/45/68/72/838456872.db2.gz IPXJFYUZZFAQHX-CQSZACIVSA-N 1 2 327.388 0.669 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2nnn(C(C)C)c2C)C1 ZINC001267751276 838471918 /nfs/dbraw/zinc/47/19/18/838471918.db2.gz QONZKSDNVMGNFG-ZIAGYGMSSA-N 1 2 348.451 0.662 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2nnn(C(C)C)c2C)C1 ZINC001267751276 838471922 /nfs/dbraw/zinc/47/19/22/838471922.db2.gz QONZKSDNVMGNFG-ZIAGYGMSSA-N 1 2 348.451 0.662 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001267751518 838473298 /nfs/dbraw/zinc/47/32/98/838473298.db2.gz CCDBRRYIKKAIOB-XJKSGUPXSA-N 1 2 340.427 0.901 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001267751518 838473299 /nfs/dbraw/zinc/47/32/99/838473299.db2.gz CCDBRRYIKKAIOB-XJKSGUPXSA-N 1 2 340.427 0.901 20 30 ECEDLO COCC#CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]nc3ccccc32)C1 ZINC001267753731 838476999 /nfs/dbraw/zinc/47/69/99/838476999.db2.gz DAOKCRFFCUYXRY-CQSZACIVSA-N 1 2 326.400 0.946 20 30 ECEDLO COCC#CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]nc3ccccc32)C1 ZINC001267753731 838477002 /nfs/dbraw/zinc/47/70/02/838477002.db2.gz DAOKCRFFCUYXRY-CQSZACIVSA-N 1 2 326.400 0.946 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2ncoc2C)C1 ZINC001267759933 838485386 /nfs/dbraw/zinc/48/53/86/838485386.db2.gz RSALHWMXLPFJRJ-GFCCVEGCSA-N 1 2 349.391 0.141 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ncoc2C)C1 ZINC001267759933 838485390 /nfs/dbraw/zinc/48/53/90/838485390.db2.gz RSALHWMXLPFJRJ-GFCCVEGCSA-N 1 2 349.391 0.141 20 30 ECEDLO C#CCCCCC(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NC(=O)NCC)C1 ZINC001267765169 838499019 /nfs/dbraw/zinc/49/90/19/838499019.db2.gz WJDKBNYOJKRGNS-AWEZNQCLSA-N 1 2 336.436 0.558 20 30 ECEDLO C#CCCCCC(=O)N(C)[C@H]1CC[N@H+](CC(=O)NC(=O)NCC)C1 ZINC001267765169 838499021 /nfs/dbraw/zinc/49/90/21/838499021.db2.gz WJDKBNYOJKRGNS-AWEZNQCLSA-N 1 2 336.436 0.558 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2ncccc2CC)C1 ZINC001267770094 838517232 /nfs/dbraw/zinc/51/72/32/838517232.db2.gz ZGYABHVNWJCEMC-OAHLLOKOSA-N 1 2 328.416 0.540 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ncccc2CC)C1 ZINC001267770094 838517238 /nfs/dbraw/zinc/51/72/38/838517238.db2.gz ZGYABHVNWJCEMC-OAHLLOKOSA-N 1 2 328.416 0.540 20 30 ECEDLO CCN(C(=O)Cc1occc1C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267792222 838571560 /nfs/dbraw/zinc/57/15/60/838571560.db2.gz WKWKXWNGHPCEOY-AWEZNQCLSA-N 1 2 332.404 0.693 20 30 ECEDLO CCN(C(=O)Cc1occc1C)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267792222 838571565 /nfs/dbraw/zinc/57/15/65/838571565.db2.gz WKWKXWNGHPCEOY-AWEZNQCLSA-N 1 2 332.404 0.693 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCOCC)C1 ZINC001267914460 838782420 /nfs/dbraw/zinc/78/24/20/838782420.db2.gz TZMJSXCUZKOMDH-CYBMUJFWSA-N 1 2 340.424 0.005 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCOCC)C1 ZINC001267914460 838782432 /nfs/dbraw/zinc/78/24/32/838782432.db2.gz TZMJSXCUZKOMDH-CYBMUJFWSA-N 1 2 340.424 0.005 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cn(C)cn2)C1 ZINC001267926221 838803981 /nfs/dbraw/zinc/80/39/81/838803981.db2.gz YBLAKLPHWAFVDR-OAHLLOKOSA-N 1 2 345.447 0.815 20 30 ECEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)cn2)C1 ZINC001267926221 838803988 /nfs/dbraw/zinc/80/39/88/838803988.db2.gz YBLAKLPHWAFVDR-OAHLLOKOSA-N 1 2 345.447 0.815 20 30 ECEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCc2ccnc(C)n2)C1 ZINC001267956975 838860525 /nfs/dbraw/zinc/86/05/25/838860525.db2.gz STOXOVLIPLDSGV-MRXNPFEDSA-N 1 2 345.447 0.600 20 30 ECEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCc2ccnc(C)n2)C1 ZINC001267956975 838860536 /nfs/dbraw/zinc/86/05/36/838860536.db2.gz STOXOVLIPLDSGV-MRXNPFEDSA-N 1 2 345.447 0.600 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+]([C@H](C)C(=O)NCC=C)C2)c1 ZINC001267967024 838886525 /nfs/dbraw/zinc/88/65/25/838886525.db2.gz WBEIUFCRAZUQIJ-RHSMWYFYSA-N 1 2 340.427 0.948 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)C(=O)NCC=C)C2)c1 ZINC001267967024 838886538 /nfs/dbraw/zinc/88/65/38/838886538.db2.gz WBEIUFCRAZUQIJ-RHSMWYFYSA-N 1 2 340.427 0.948 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+](CCOCC3CC3)CCO2)cn1 ZINC001268031124 839057168 /nfs/dbraw/zinc/05/71/68/839057168.db2.gz ZMGBIOHGGPQWTB-SFHVURJKSA-N 1 2 343.427 0.920 20 30 ECEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](CCOCC3CC3)CCO2)cn1 ZINC001268031124 839057178 /nfs/dbraw/zinc/05/71/78/839057178.db2.gz ZMGBIOHGGPQWTB-SFHVURJKSA-N 1 2 343.427 0.920 20 30 ECEDLO C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)c1cccc2nn[nH]c21 ZINC001268067041 839254461 /nfs/dbraw/zinc/25/44/61/839254461.db2.gz UPQOYBUZUWBGCC-NSHDSACASA-N 1 2 330.392 0.310 20 30 ECEDLO Cc1ncc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cc1C#N ZINC000408361050 282163647 /nfs/dbraw/zinc/16/36/47/282163647.db2.gz BYZDSEJAVUXBHA-NEPJUHHUSA-N 1 2 338.433 0.337 20 30 ECEDLO Cc1ncc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1C#N ZINC000408361050 282163648 /nfs/dbraw/zinc/16/36/48/282163648.db2.gz BYZDSEJAVUXBHA-NEPJUHHUSA-N 1 2 338.433 0.337 20 30 ECEDLO COCCCNC(=O)C[N@H+](C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000101546011 219134451 /nfs/dbraw/zinc/13/44/51/219134451.db2.gz RXIKAOIDJTYBIR-INIZCTEOSA-N 1 2 344.415 0.748 20 30 ECEDLO COCCCNC(=O)C[N@@H+](C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000101546011 219134454 /nfs/dbraw/zinc/13/44/54/219134454.db2.gz RXIKAOIDJTYBIR-INIZCTEOSA-N 1 2 344.415 0.748 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2cc(C)ncc2C#N)CC1 ZINC000425228904 210024165 /nfs/dbraw/zinc/02/41/65/210024165.db2.gz QZZKDFCEEXVLOR-HNNXBMFYSA-N 1 2 345.447 0.925 20 30 ECEDLO CN(Cc1[nH+]ccn1C)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000329373094 282590179 /nfs/dbraw/zinc/59/01/79/282590179.db2.gz KNRNLWHRWSXJPI-LLVKDONJSA-N 1 2 329.426 0.190 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCN4C(=O)NC[C@H]4C3)C2=O)cc1 ZINC000247239432 283164747 /nfs/dbraw/zinc/16/47/47/283164747.db2.gz SVWIXPOBWSVRBD-LSDHHAIUSA-N 1 2 325.372 0.373 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCN4C(=O)NC[C@H]4C3)C2=O)cc1 ZINC000247239432 283164751 /nfs/dbraw/zinc/16/47/51/283164751.db2.gz SVWIXPOBWSVRBD-LSDHHAIUSA-N 1 2 325.372 0.373 20 30 ECEDLO C[C@@H](O)C[NH+]1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000189368711 437592554 /nfs/dbraw/zinc/59/25/54/437592554.db2.gz XCVXWXQXKGEHRJ-CQSZACIVSA-N 1 2 337.445 0.330 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2c(F)cccc2F)CC1 ZINC000078678716 217100057 /nfs/dbraw/zinc/10/00/57/217100057.db2.gz PIBXMUGGZMMPJN-UHFFFAOYSA-N 1 2 335.354 0.862 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c(F)cccc2F)CC1 ZINC000078678716 217100061 /nfs/dbraw/zinc/10/00/61/217100061.db2.gz PIBXMUGGZMMPJN-UHFFFAOYSA-N 1 2 335.354 0.862 20 30 ECEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000267635733 251212035 /nfs/dbraw/zinc/21/20/35/251212035.db2.gz UFDHRIFGNRVWTR-RHSMWYFYSA-N 1 2 346.431 0.510 20 30 ECEDLO COC(=O)[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000338361214 269704559 /nfs/dbraw/zinc/70/45/59/269704559.db2.gz ZQQCXVVJZZOXAT-NOLJZWGESA-N 1 2 334.372 0.560 20 30 ECEDLO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000338361214 269704560 /nfs/dbraw/zinc/70/45/60/269704560.db2.gz ZQQCXVVJZZOXAT-NOLJZWGESA-N 1 2 334.372 0.560 20 30 ECEDLO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1[nH+]ccn1C ZINC000268862762 252311550 /nfs/dbraw/zinc/31/15/50/252311550.db2.gz VZHHUCHYWIFJRM-NSHDSACASA-N 1 2 347.400 0.275 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000444789583 285037396 /nfs/dbraw/zinc/03/73/96/285037396.db2.gz FFAIZNSFLYFMNO-KGLIPLIRSA-N 1 2 329.466 0.894 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000444789583 285037398 /nfs/dbraw/zinc/03/73/98/285037398.db2.gz FFAIZNSFLYFMNO-KGLIPLIRSA-N 1 2 329.466 0.894 20 30 ECEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N(CCO)CC[NH+]2CCOCC2)c1 ZINC000412212167 208213511 /nfs/dbraw/zinc/21/35/11/208213511.db2.gz HAXVLIGIJLNGIZ-ZWKOTPCHSA-N 1 2 343.427 0.815 20 30 ECEDLO NC(CN1CCOCC1)=[NH+]OCC(=O)Nc1cccc(Cl)c1 ZINC000111182012 254492132 /nfs/dbraw/zinc/49/21/32/254492132.db2.gz SIXZTYLOSFMNRT-UHFFFAOYSA-N 1 2 326.784 0.900 20 30 ECEDLO CC1(C#N)CN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000280553395 254548445 /nfs/dbraw/zinc/54/84/45/254548445.db2.gz UNJOWYPVYWZKQP-UHFFFAOYSA-N 1 2 341.415 0.882 20 30 ECEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCn2cncn2)CC1=O ZINC000269878873 254530373 /nfs/dbraw/zinc/53/03/73/254530373.db2.gz XTJLFGJWMMJMTA-UHFFFAOYSA-N 1 2 337.387 0.938 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2nccnc2C)CC1 ZINC000374146833 254748603 /nfs/dbraw/zinc/74/86/03/254748603.db2.gz UFHAFVHJOHNHCL-ZDUSSCGKSA-N 1 2 332.408 0.307 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN2CCOC[C@@H]2c2ccc(C)o2)CC1 ZINC000490779872 254886041 /nfs/dbraw/zinc/88/60/41/254886041.db2.gz BSJXVPSDZRIDDS-MRXNPFEDSA-N 1 2 331.416 0.739 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CC(=O)N(C)C2CCC(C)CC2)CC1 ZINC000491073242 254896444 /nfs/dbraw/zinc/89/64/44/254896444.db2.gz YGDHIAWPRFPCSV-UHFFFAOYSA-N 1 2 348.491 0.391 20 30 ECEDLO C#C[C@@H](CO)[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000491709977 254929131 /nfs/dbraw/zinc/92/91/31/254929131.db2.gz RPDXFXXYJYOMJH-NSHDSACASA-N 1 2 332.219 0.807 20 30 ECEDLO CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000496772996 255128518 /nfs/dbraw/zinc/12/85/18/255128518.db2.gz HDAYEMKNCGGJGL-NHYWBVRUSA-N 1 2 328.413 0.486 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496400636 255097115 /nfs/dbraw/zinc/09/71/15/255097115.db2.gz VRALIIYWKMSEAF-AWEZNQCLSA-N 1 2 339.436 0.694 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496909576 255140791 /nfs/dbraw/zinc/14/07/91/255140791.db2.gz QJISBJZOZDHJHW-UONOGXRCSA-N 1 2 339.436 0.692 20 30 ECEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496909576 255140793 /nfs/dbraw/zinc/14/07/93/255140793.db2.gz QJISBJZOZDHJHW-UONOGXRCSA-N 1 2 339.436 0.692 20 30 ECEDLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000230340929 263171478 /nfs/dbraw/zinc/17/14/78/263171478.db2.gz OSUVRQLXRAKFKC-UHFFFAOYSA-N 1 2 329.447 0.697 20 30 ECEDLO COC(C[N@H+](CCCO)CC(=O)Nc1sccc1C#N)OC ZINC000272735346 263367199 /nfs/dbraw/zinc/36/71/99/263367199.db2.gz FBWWPLYFMUVGLY-UHFFFAOYSA-N 1 2 327.406 0.862 20 30 ECEDLO COC(C[N@@H+](CCCO)CC(=O)Nc1sccc1C#N)OC ZINC000272735346 263367202 /nfs/dbraw/zinc/36/72/02/263367202.db2.gz FBWWPLYFMUVGLY-UHFFFAOYSA-N 1 2 327.406 0.862 20 30 ECEDLO N#Cc1cncc(S(=O)(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000519853841 270007894 /nfs/dbraw/zinc/00/78/94/270007894.db2.gz BFEUYVMDJVQVON-UHFFFAOYSA-N 1 2 332.389 0.183 20 30 ECEDLO CC[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2sccc2C#N)CCO1 ZINC000340400794 266378633 /nfs/dbraw/zinc/37/86/33/266378633.db2.gz IHJLNFGGGXDIDC-GFCCVEGCSA-N 1 2 336.417 0.785 20 30 ECEDLO CC[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2sccc2C#N)CCO1 ZINC000340400794 266378640 /nfs/dbraw/zinc/37/86/40/266378640.db2.gz IHJLNFGGGXDIDC-GFCCVEGCSA-N 1 2 336.417 0.785 20 30 ECEDLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1 ZINC000293486970 266398631 /nfs/dbraw/zinc/39/86/31/266398631.db2.gz QZHYIALAPOKXGX-CYBMUJFWSA-N 1 2 341.408 0.775 20 30 ECEDLO COC(=O)C1(O)CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000367541034 266627548 /nfs/dbraw/zinc/62/75/48/266627548.db2.gz CNAHJHCVARWDCN-LBPRGKRZSA-N 1 2 331.372 0.885 20 30 ECEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000293777273 267078876 /nfs/dbraw/zinc/07/88/76/267078876.db2.gz SQMCGLQSLHXVTL-TZMCWYRMSA-N 1 2 343.387 0.213 20 30 ECEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2nc3ccccn3c2C#N)CC1 ZINC000302082641 267131228 /nfs/dbraw/zinc/13/12/28/267131228.db2.gz JPHMSKIXDUNRFN-CYBMUJFWSA-N 1 2 338.415 0.995 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)NCc1cccc(C#N)c1 ZINC000284178272 267156928 /nfs/dbraw/zinc/15/69/28/267156928.db2.gz ZGLDGWPLFDUGIB-CYBMUJFWSA-N 1 2 330.388 0.011 20 30 ECEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC000291600733 267191272 /nfs/dbraw/zinc/19/12/72/267191272.db2.gz AAEXHEXCMCIJBI-RYUDHWBXSA-N 1 2 341.408 0.773 20 30 ECEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC000291600733 267191273 /nfs/dbraw/zinc/19/12/73/267191273.db2.gz AAEXHEXCMCIJBI-RYUDHWBXSA-N 1 2 341.408 0.773 20 30 ECEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000285133692 267379439 /nfs/dbraw/zinc/37/94/39/267379439.db2.gz IRZPANPQFAFUBT-JKSUJKDBSA-N 1 2 342.399 0.737 20 30 ECEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000285133692 267379440 /nfs/dbraw/zinc/37/94/40/267379440.db2.gz IRZPANPQFAFUBT-JKSUJKDBSA-N 1 2 342.399 0.737 20 30 ECEDLO Cc1nn(C)c(N2CCN(C(=O)CCn3cc[nH+]c3)CC2)c1C#N ZINC000530416459 268090260 /nfs/dbraw/zinc/09/02/60/268090260.db2.gz TWQJRPAOPLBMPJ-UHFFFAOYSA-N 1 2 327.392 0.536 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCSC3)CC2)cn1 ZINC000364134390 268193849 /nfs/dbraw/zinc/19/38/49/268193849.db2.gz FNVXLNGZDRXQNJ-ZDUSSCGKSA-N 1 2 338.458 0.765 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H](O)C3CCOCC3)CC2)cc1 ZINC000515193438 268221320 /nfs/dbraw/zinc/22/13/20/268221320.db2.gz BPVOCLONFJLBPF-GOSISDBHSA-N 1 2 343.427 0.990 20 30 ECEDLO N#Cc1cccc(N2CC[NH+]([C@@H]3CC(=O)N(C4CC4)C3=O)CC2)n1 ZINC000355111090 268261857 /nfs/dbraw/zinc/26/18/57/268261857.db2.gz DKWMDVMGXLMORA-CQSZACIVSA-N 1 2 325.372 0.365 20 30 ECEDLO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCN(c2nccnn2)CC1 ZINC000528585738 268301648 /nfs/dbraw/zinc/30/16/48/268301648.db2.gz YGPPBIHAPSZSLM-OAHLLOKOSA-N 1 2 340.387 0.305 20 30 ECEDLO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccccc1S(C)(=O)=O ZINC000330702252 437593657 /nfs/dbraw/zinc/59/36/57/437593657.db2.gz OSFLXMGKMZUGDI-GFCCVEGCSA-N 1 2 325.434 0.641 20 30 ECEDLO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccccc1S(C)(=O)=O ZINC000330702252 437593661 /nfs/dbraw/zinc/59/36/61/437593661.db2.gz OSFLXMGKMZUGDI-GFCCVEGCSA-N 1 2 325.434 0.641 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+]([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000361699590 276898219 /nfs/dbraw/zinc/89/82/19/276898219.db2.gz BFAVNFBQTAGJOL-KRWDZBQOSA-N 1 2 342.443 0.860 20 30 ECEDLO C#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc(S(C)(=O)=O)o3)C2)C1 ZINC001041719988 782050742 /nfs/dbraw/zinc/05/07/42/782050742.db2.gz GOPYCMCRJGLGQM-MRXNPFEDSA-N 1 2 336.413 0.854 20 30 ECEDLO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(S(C)(=O)=O)o3)C2)C1 ZINC001041719988 782050745 /nfs/dbraw/zinc/05/07/45/782050745.db2.gz GOPYCMCRJGLGQM-MRXNPFEDSA-N 1 2 336.413 0.854 20 30 ECEDLO N#CCCn1ccc(NC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000354366378 437598403 /nfs/dbraw/zinc/59/84/03/437598403.db2.gz NOBMAFRMMISQNH-UHFFFAOYSA-N 1 2 349.354 1.560 20 30 ECEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1 ZINC000450233418 279220291 /nfs/dbraw/zinc/22/02/91/279220291.db2.gz OKMNSCKQFOEXNL-LLVKDONJSA-N 1 2 344.375 0.651 20 30 ECEDLO CC(C)[C@H](O)CNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330734084 437601626 /nfs/dbraw/zinc/60/16/26/437601626.db2.gz LCNADBVXCYUUNR-OAHLLOKOSA-N 1 2 349.435 0.812 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337518860 280101803 /nfs/dbraw/zinc/10/18/03/280101803.db2.gz NVMGQIWESSNKKX-DZGCQCFKSA-N 1 2 329.466 0.940 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337518860 280101807 /nfs/dbraw/zinc/10/18/07/280101807.db2.gz NVMGQIWESSNKKX-DZGCQCFKSA-N 1 2 329.466 0.940 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116889332 280103519 /nfs/dbraw/zinc/10/35/19/280103519.db2.gz LHAARGQUKNZEQT-MBNYWOFBSA-N 1 2 330.454 0.053 20 30 ECEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116889332 280103521 /nfs/dbraw/zinc/10/35/21/280103521.db2.gz LHAARGQUKNZEQT-MBNYWOFBSA-N 1 2 330.454 0.053 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2cccc(C(=O)NC)c2)CC1 ZINC000072957953 436065053 /nfs/dbraw/zinc/06/50/53/436065053.db2.gz RZGREHFWHOIDGV-UHFFFAOYSA-N 1 2 330.432 0.466 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cccc(C(=O)NC)c2)CC1 ZINC000072957953 436065062 /nfs/dbraw/zinc/06/50/62/436065062.db2.gz RZGREHFWHOIDGV-UHFFFAOYSA-N 1 2 330.432 0.466 20 30 ECEDLO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108304 436069510 /nfs/dbraw/zinc/06/95/10/436069510.db2.gz YZIGCCPPTXBRHQ-GFCCVEGCSA-N 1 2 330.392 0.309 20 30 ECEDLO CCN(CC)C(=O)C[NH+]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000022849532 436121082 /nfs/dbraw/zinc/12/10/82/436121082.db2.gz CDQNWCZFEAUNFB-SFHVURJKSA-N 1 2 349.479 0.281 20 30 ECEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000262013511 301075349 /nfs/dbraw/zinc/07/53/49/301075349.db2.gz MMBLKDFNPQTTAX-AWEZNQCLSA-N 1 2 345.428 0.935 20 30 ECEDLO N#Cc1c(F)cccc1N1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000075698947 436173468 /nfs/dbraw/zinc/17/34/68/436173468.db2.gz IIBCWJQNASWKAN-UHFFFAOYSA-N 1 2 331.351 0.371 20 30 ECEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029450296 436204061 /nfs/dbraw/zinc/20/40/61/436204061.db2.gz ZGHZBBDJCLEZGM-CQSZACIVSA-N 1 2 331.420 0.616 20 30 ECEDLO C=CCCC[N@@H+](C)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000076735574 436215503 /nfs/dbraw/zinc/21/55/03/436215503.db2.gz ZRPUFXAPMZRBBR-HNNXBMFYSA-N 1 2 343.493 0.216 20 30 ECEDLO C=CCCC[N@H+](C)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000076735574 436215509 /nfs/dbraw/zinc/21/55/09/436215509.db2.gz ZRPUFXAPMZRBBR-HNNXBMFYSA-N 1 2 343.493 0.216 20 30 ECEDLO CCCS(=O)(=O)NC1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000042134224 436297949 /nfs/dbraw/zinc/29/79/49/436297949.db2.gz MOXYMCXOHGXEAX-CYBMUJFWSA-N 1 2 344.481 0.541 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000042534386 436307341 /nfs/dbraw/zinc/30/73/41/436307341.db2.gz MOJATCSTDGEIBR-ZACQAIPSSA-N 1 2 348.491 0.246 20 30 ECEDLO C=CCNS(=O)(=O)c1ccc(C(=O)NCCn2cc[nH+]c2)cc1 ZINC000042756701 436316973 /nfs/dbraw/zinc/31/69/73/436316973.db2.gz WWZMYYPIGKQTOK-UHFFFAOYSA-N 1 2 334.401 0.777 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000083562238 436372874 /nfs/dbraw/zinc/37/28/74/436372874.db2.gz LEMAYPLDADKCBE-CQSZACIVSA-N 1 2 336.367 0.854 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccc(C#N)cc1 ZINC000083700035 436374236 /nfs/dbraw/zinc/37/42/36/436374236.db2.gz KLJFDWWIWASYJZ-MRXNPFEDSA-N 1 2 332.404 0.393 20 30 ECEDLO C[C@@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000083736220 436376071 /nfs/dbraw/zinc/37/60/71/436376071.db2.gz LXLBUNXNPOCIGX-PBHICJAKSA-N 1 2 346.431 0.954 20 30 ECEDLO Cn1cc(C#N)cc1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000081757739 436357011 /nfs/dbraw/zinc/35/70/11/436357011.db2.gz OVAMZISLOGKESL-UHFFFAOYSA-N 1 2 343.431 0.571 20 30 ECEDLO C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000047860059 436431214 /nfs/dbraw/zinc/43/12/14/436431214.db2.gz AUANHRKFWYKYFM-GDBMZVCRSA-N 1 2 343.431 0.759 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)Cc2cnccn2)CC1 ZINC000091589663 436454121 /nfs/dbraw/zinc/45/41/21/436454121.db2.gz BMBLIUPWBWQIJQ-MRXNPFEDSA-N 1 2 330.436 0.601 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)Cc2cnccn2)CC1 ZINC000091589663 436454124 /nfs/dbraw/zinc/45/41/24/436454124.db2.gz BMBLIUPWBWQIJQ-MRXNPFEDSA-N 1 2 330.436 0.601 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)cn1 ZINC000090202012 436428749 /nfs/dbraw/zinc/42/87/49/436428749.db2.gz TVFDDBROIXEPNF-ZIAGYGMSSA-N 1 2 336.417 0.485 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)cn1 ZINC000090202012 436428752 /nfs/dbraw/zinc/42/87/52/436428752.db2.gz TVFDDBROIXEPNF-ZIAGYGMSSA-N 1 2 336.417 0.485 20 30 ECEDLO CCCC[N@H+](CC(N)=O)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000092617494 436473228 /nfs/dbraw/zinc/47/32/28/436473228.db2.gz SMEDBJMPCQIZEJ-OAHLLOKOSA-N 1 2 337.468 0.266 20 30 ECEDLO CCCC[N@@H+](CC(N)=O)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000092617494 436473232 /nfs/dbraw/zinc/47/32/32/436473232.db2.gz SMEDBJMPCQIZEJ-OAHLLOKOSA-N 1 2 337.468 0.266 20 30 ECEDLO N#Cc1cccc(OCC[NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)c1 ZINC000051915677 436500061 /nfs/dbraw/zinc/50/00/61/436500061.db2.gz BFVXIGGVGHLYEP-UHFFFAOYSA-N 1 2 342.399 0.360 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](CC(=O)N2CCCC[C@@H]2CC)CC1 ZINC000053423444 436532181 /nfs/dbraw/zinc/53/21/81/436532181.db2.gz LBHCTUYWOJEQJN-INIZCTEOSA-N 1 2 336.480 0.697 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+]([C@@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000053423358 436532616 /nfs/dbraw/zinc/53/26/16/436532616.db2.gz VDYPUVXALPTHHV-INIZCTEOSA-N 1 2 336.480 0.553 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000055060137 436565354 /nfs/dbraw/zinc/56/53/54/436565354.db2.gz SASALYFMQQYSAG-UHFFFAOYSA-N 1 2 334.376 0.439 20 30 ECEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000055060137 436565358 /nfs/dbraw/zinc/56/53/58/436565358.db2.gz SASALYFMQQYSAG-UHFFFAOYSA-N 1 2 334.376 0.439 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2nc(C)nc3c2cnn3C)CC1 ZINC000105882314 436585330 /nfs/dbraw/zinc/58/53/30/436585330.db2.gz BKWSPRXSDKBAGH-GFCCVEGCSA-N 1 2 343.435 0.484 20 30 ECEDLO Cc1cccc(S(=O)(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c1C#N ZINC000249262396 302010916 /nfs/dbraw/zinc/01/09/16/302010916.db2.gz ZEGBVIIAFVYGFE-KBPBESRZSA-N 1 2 337.445 0.942 20 30 ECEDLO Cc1cccc(S(=O)(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c1C#N ZINC000249262396 302010918 /nfs/dbraw/zinc/01/09/18/302010918.db2.gz ZEGBVIIAFVYGFE-KBPBESRZSA-N 1 2 337.445 0.942 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000060466408 436633035 /nfs/dbraw/zinc/63/30/35/436633035.db2.gz VXLWIVQSBUROTK-UHFFFAOYSA-N 1 2 344.459 0.808 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000060466408 436633037 /nfs/dbraw/zinc/63/30/37/436633037.db2.gz VXLWIVQSBUROTK-UHFFFAOYSA-N 1 2 344.459 0.808 20 30 ECEDLO C[C@H]1CN(C(=O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)C[C@H](C)O1 ZINC000193771368 436652548 /nfs/dbraw/zinc/65/25/48/436652548.db2.gz YDFKXZJEGNKDGI-GJZGRUSLSA-N 1 2 343.431 0.711 20 30 ECEDLO C=CCNC(=O)CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000272245089 436709878 /nfs/dbraw/zinc/70/98/78/436709878.db2.gz KFQRVTHIKHRSSJ-MRXNPFEDSA-N 1 2 346.431 0.489 20 30 ECEDLO C=CCNC(=O)CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000272245089 436709879 /nfs/dbraw/zinc/70/98/79/436709879.db2.gz KFQRVTHIKHRSSJ-MRXNPFEDSA-N 1 2 346.431 0.489 20 30 ECEDLO CCN(CC#N)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000118001891 436660554 /nfs/dbraw/zinc/66/05/54/436660554.db2.gz AJEXJBVJYQYROI-UHFFFAOYSA-N 1 2 330.432 0.980 20 30 ECEDLO N#Cc1ccc(F)c(CS(=O)(=O)NCCC[NH+]2CCOCC2)c1 ZINC000120332688 436685005 /nfs/dbraw/zinc/68/50/05/436685005.db2.gz JFESBQCDEHPWPF-UHFFFAOYSA-N 1 2 341.408 0.839 20 30 ECEDLO CC(C)(C)[C@H](C#N)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000122411120 436735172 /nfs/dbraw/zinc/73/51/72/436735172.db2.gz OSWZINHYRYJFMN-KBPBESRZSA-N 1 2 336.436 0.222 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCN(CC(F)F)[C@@H](CC)C2)CC1 ZINC000153589069 436760611 /nfs/dbraw/zinc/76/06/11/436760611.db2.gz DSNQNEDGYSKDBX-HNNXBMFYSA-N 1 2 342.434 0.425 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCN(CC(F)F)[C@@H](CC)C2)CC1 ZINC000153589069 436760614 /nfs/dbraw/zinc/76/06/14/436760614.db2.gz DSNQNEDGYSKDBX-HNNXBMFYSA-N 1 2 342.434 0.425 20 30 ECEDLO CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000273547958 436764626 /nfs/dbraw/zinc/76/46/26/436764626.db2.gz UUBPDBYSWHQSEL-UHFFFAOYSA-N 1 2 346.387 0.032 20 30 ECEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000121515434 436717235 /nfs/dbraw/zinc/71/72/35/436717235.db2.gz KUNXTYXTTUBIOV-OAHLLOKOSA-N 1 2 327.388 0.421 20 30 ECEDLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000249008673 436813848 /nfs/dbraw/zinc/81/38/48/436813848.db2.gz JIACPPISASGSFS-HUUCEWRRSA-N 1 2 342.465 0.802 20 30 ECEDLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000249008673 436813849 /nfs/dbraw/zinc/81/38/49/436813849.db2.gz JIACPPISASGSFS-HUUCEWRRSA-N 1 2 342.465 0.802 20 30 ECEDLO COc1cc(NC(=O)CO[NH+]=C(N)CCO)cc(OC)c1OC ZINC000274364504 436819536 /nfs/dbraw/zinc/81/95/36/436819536.db2.gz OICUYBKQOQSJQJ-UHFFFAOYSA-N 1 2 327.337 0.322 20 30 ECEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCNC(=O)[C@H]2C)c(OC)c1 ZINC000245918792 436770582 /nfs/dbraw/zinc/77/05/82/436770582.db2.gz SDHVLOIMBXUSGK-UKRRQHHQSA-N 1 2 334.416 0.984 20 30 ECEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCNC(=O)[C@H]2C)c(OC)c1 ZINC000245918792 436770585 /nfs/dbraw/zinc/77/05/85/436770585.db2.gz SDHVLOIMBXUSGK-UKRRQHHQSA-N 1 2 334.416 0.984 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000125803064 436775960 /nfs/dbraw/zinc/77/59/60/436775960.db2.gz KHWWWWCXIWBCCT-RNCFNFMXSA-N 1 2 345.371 0.834 20 30 ECEDLO C[C@@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000125803064 436775963 /nfs/dbraw/zinc/77/59/63/436775963.db2.gz KHWWWWCXIWBCCT-RNCFNFMXSA-N 1 2 345.371 0.834 20 30 ECEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000158735504 436849905 /nfs/dbraw/zinc/84/99/05/436849905.db2.gz GCFANBHSATZPGE-UHFFFAOYSA-N 1 2 343.836 0.900 20 30 ECEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000158735504 436849910 /nfs/dbraw/zinc/84/99/10/436849910.db2.gz GCFANBHSATZPGE-UHFFFAOYSA-N 1 2 343.836 0.900 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\c2ccnn2CC)CC1 ZINC000255768320 436853761 /nfs/dbraw/zinc/85/37/61/436853761.db2.gz HNIVDFUPDMBLHH-SREVYHEPSA-N 1 2 343.431 0.200 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\c2ccnn2CC)CC1 ZINC000255768320 436853763 /nfs/dbraw/zinc/85/37/63/436853763.db2.gz HNIVDFUPDMBLHH-SREVYHEPSA-N 1 2 343.431 0.200 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)CC1 ZINC000249542572 436823554 /nfs/dbraw/zinc/82/35/54/436823554.db2.gz FIWNKXPJINPCQH-BZUAXINKSA-N 1 2 349.479 0.265 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)CC1 ZINC000249542572 436823556 /nfs/dbraw/zinc/82/35/56/436823556.db2.gz FIWNKXPJINPCQH-BZUAXINKSA-N 1 2 349.479 0.265 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN([C@H](C(=O)OC)c2cccnc2)CC1 ZINC000160842615 436879189 /nfs/dbraw/zinc/87/91/89/436879189.db2.gz JEEDIQSENFAROM-INIZCTEOSA-N 1 2 332.404 0.216 20 30 ECEDLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000160819079 436879632 /nfs/dbraw/zinc/87/96/32/436879632.db2.gz PNRKYNINGOFGQH-UHFFFAOYSA-N 1 2 341.408 0.775 20 30 ECEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1=O ZINC000281439227 436969354 /nfs/dbraw/zinc/96/93/54/436969354.db2.gz TVXZTWDCFGKCIL-DOMZBBRYSA-N 1 2 344.415 0.831 20 30 ECEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1=O ZINC000281439227 436969357 /nfs/dbraw/zinc/96/93/57/436969357.db2.gz TVXZTWDCFGKCIL-DOMZBBRYSA-N 1 2 344.415 0.831 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000282960623 437021180 /nfs/dbraw/zinc/02/11/80/437021180.db2.gz KITFHVBRFZWPAW-LBPRGKRZSA-N 1 2 334.405 0.836 20 30 ECEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000283099788 437024807 /nfs/dbraw/zinc/02/48/07/437024807.db2.gz XDYBIWLILWSFPT-AWEZNQCLSA-N 1 2 337.449 0.678 20 30 ECEDLO N#C[C@H]1CN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000264418858 437027268 /nfs/dbraw/zinc/02/72/68/437027268.db2.gz SWTSHFZHQZUUHH-KRWDZBQOSA-N 1 2 344.415 0.682 20 30 ECEDLO CS(=O)(=O)c1ccc(NC(=O)CO[NH+]=C(N)[C@@H]2CCCO2)cc1 ZINC000283908530 437032283 /nfs/dbraw/zinc/03/22/83/437032283.db2.gz DLSJCKCYSYXZDB-LBPRGKRZSA-N 1 2 341.389 0.496 20 30 ECEDLO COCCN(CCC#N)S(=O)(=O)NCCNc1cccc[nH+]1 ZINC000281749685 436995873 /nfs/dbraw/zinc/99/58/73/436995873.db2.gz IUKFWWXEDFUGRU-UHFFFAOYSA-N 1 2 327.410 0.190 20 30 ECEDLO C[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1)C[NH+]1CCN(C)CC1 ZINC000298808944 437053928 /nfs/dbraw/zinc/05/39/28/437053928.db2.gz JORIVCFCQXYQLD-AWEZNQCLSA-N 1 2 336.461 0.720 20 30 ECEDLO C=C(C)CN(CC)C(=O)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000284436125 437054084 /nfs/dbraw/zinc/05/40/84/437054084.db2.gz LFEBAZDRHDWFLY-UHFFFAOYSA-N 1 2 346.431 0.959 20 30 ECEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)o2)CC1 ZINC000299292666 437066986 /nfs/dbraw/zinc/06/69/86/437066986.db2.gz BBFDJVUETOMBEZ-UHFFFAOYSA-N 1 2 339.417 0.311 20 30 ECEDLO C#CCNc1nc(N2CCO[C@@H](C)C2)nc(N2CCO[C@@H](C)C2)[nH+]1 ZINC000286024937 437086159 /nfs/dbraw/zinc/08/61/59/437086159.db2.gz GASPDLPVJJXFBG-STQMWFEESA-N 1 2 332.408 0.367 20 30 ECEDLO C#CCNc1nc(N2CCO[C@@H](C)C2)[nH+]c(N2CCO[C@@H](C)C2)n1 ZINC000286024937 437086161 /nfs/dbraw/zinc/08/61/61/437086161.db2.gz GASPDLPVJJXFBG-STQMWFEESA-N 1 2 332.408 0.367 20 30 ECEDLO C#CC[NH+](CC#C)CC(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000174527401 437081003 /nfs/dbraw/zinc/08/10/03/437081003.db2.gz FPBCUJVONHTOQC-UHFFFAOYSA-N 1 2 330.384 0.897 20 30 ECEDLO NC(=O)NC1(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000329177986 303223338 /nfs/dbraw/zinc/22/33/38/303223338.db2.gz MEQBPOAWRUSRGM-ZDUSSCGKSA-N 1 2 328.438 0.766 20 30 ECEDLO C#CCNc1nc(N(C)C[C@H](C)OC)nc(N(C)C[C@H](C)OC)[nH+]1 ZINC000286265731 437088280 /nfs/dbraw/zinc/08/82/80/437088280.db2.gz FISGTVCHJKAUQG-STQMWFEESA-N 1 2 336.440 0.859 20 30 ECEDLO C#CCNc1nc(N(C)C[C@H](C)OC)[nH+]c(N(C)C[C@H](C)OC)n1 ZINC000286265731 437088286 /nfs/dbraw/zinc/08/82/86/437088286.db2.gz FISGTVCHJKAUQG-STQMWFEESA-N 1 2 336.440 0.859 20 30 ECEDLO CCC(CC)[C@H](C(=O)NCCn1cnc(C#N)n1)[NH+]1CCOCC1 ZINC000287030789 437153493 /nfs/dbraw/zinc/15/34/93/437153493.db2.gz WABSKKLVKTVLMQ-OAHLLOKOSA-N 1 2 334.424 0.403 20 30 ECEDLO C[C@H](Nc1ccc(S(N)(=O)=O)cc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000301390173 437119452 /nfs/dbraw/zinc/11/94/52/437119452.db2.gz ACPJELQTKRRPGW-RYUDHWBXSA-N 1 2 338.433 0.727 20 30 ECEDLO Cn1cc[nH+]c1CN1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000301662855 437127652 /nfs/dbraw/zinc/12/76/52/437127652.db2.gz NHEFLAGNGSCBEE-UHFFFAOYSA-N 1 2 327.348 0.917 20 30 ECEDLO C#CC[N@@H+](C)CC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC000277001179 437184046 /nfs/dbraw/zinc/18/40/46/437184046.db2.gz OJICSZFPPUJMID-QGZVFWFLSA-N 1 2 344.371 0.058 20 30 ECEDLO C#CC[N@H+](C)CC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC000277001179 437184053 /nfs/dbraw/zinc/18/40/53/437184053.db2.gz OJICSZFPPUJMID-QGZVFWFLSA-N 1 2 344.371 0.058 20 30 ECEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(S(=O)(=O)CCC#N)CC1 ZINC000331996075 437192836 /nfs/dbraw/zinc/19/28/36/437192836.db2.gz OBHAUSPNPBEECU-UHFFFAOYSA-N 1 2 330.454 0.106 20 30 ECEDLO CCN(CC)C(=O)C[N@H+]1CCCN(S(=O)(=O)CCC#N)CC1 ZINC000331996075 437192837 /nfs/dbraw/zinc/19/28/37/437192837.db2.gz OBHAUSPNPBEECU-UHFFFAOYSA-N 1 2 330.454 0.106 20 30 ECEDLO Cn1ncnc1CON=C(N)c1cccc(C[NH+]2CCOCC2)c1 ZINC000177672339 437193747 /nfs/dbraw/zinc/19/37/47/437193747.db2.gz CQFUHCZCCZLSCV-UHFFFAOYSA-N 1 2 330.392 0.484 20 30 ECEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2ncnc3ccsc32)CC1 ZINC000266015728 437219619 /nfs/dbraw/zinc/21/96/19/437219619.db2.gz OJYDCWYYCBQZQQ-LBPRGKRZSA-N 1 2 329.429 0.951 20 30 ECEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3cnn(-c4ncccn4)c3)C[C@@H]21 ZINC000329059256 437311908 /nfs/dbraw/zinc/31/19/08/437311908.db2.gz YQPUNODZCKVPOS-KBPBESRZSA-N 1 2 343.391 0.613 20 30 ECEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3cnn(-c4ncccn4)c3)C[C@@H]21 ZINC000329059256 437311911 /nfs/dbraw/zinc/31/19/11/437311911.db2.gz YQPUNODZCKVPOS-KBPBESRZSA-N 1 2 343.391 0.613 20 30 ECEDLO CC(C)C[C@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)[NH+]1CCOCC1 ZINC000336923661 437312078 /nfs/dbraw/zinc/31/20/78/437312078.db2.gz USJYLFFSZRJHEM-HUUCEWRRSA-N 1 2 346.497 0.659 20 30 ECEDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)CCC2 ZINC000336943907 437315867 /nfs/dbraw/zinc/31/58/67/437315867.db2.gz LUGHXWDZOYFWQV-QWHCGFSZSA-N 1 2 339.421 0.128 20 30 ECEDLO N#C[C@@H]1CN(S(=O)(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)CCO1 ZINC000336946358 437317010 /nfs/dbraw/zinc/31/70/10/437317010.db2.gz OHJXCIMSPVTBPJ-UONOGXRCSA-N 1 2 338.389 0.004 20 30 ECEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000329109442 437317974 /nfs/dbraw/zinc/31/79/74/437317974.db2.gz FXSXBKQJKMVVEE-XUWVNRHRSA-N 1 2 341.452 0.747 20 30 ECEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000329109442 437317978 /nfs/dbraw/zinc/31/79/78/437317978.db2.gz FXSXBKQJKMVVEE-XUWVNRHRSA-N 1 2 341.452 0.747 20 30 ECEDLO C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329113390 437320763 /nfs/dbraw/zinc/32/07/63/437320763.db2.gz RUGMAUGECBDYGH-MJBXVCDLSA-N 1 2 325.409 0.301 20 30 ECEDLO C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000179766474 437272716 /nfs/dbraw/zinc/27/27/16/437272716.db2.gz ZTLVGEBZWSIIBI-UHFFFAOYSA-N 1 2 341.371 0.444 20 30 ECEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)NCCC(=O)N2CCCCC2)C1 ZINC000328914097 437284718 /nfs/dbraw/zinc/28/47/18/437284718.db2.gz PZLNMNVYXCDMOC-AWEZNQCLSA-N 1 2 325.457 0.138 20 30 ECEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NCCC(=O)N2CCCCC2)C1 ZINC000328914097 437284724 /nfs/dbraw/zinc/28/47/24/437284724.db2.gz PZLNMNVYXCDMOC-AWEZNQCLSA-N 1 2 325.457 0.138 20 30 ECEDLO CO[C@H]1C[C@@H](CN(C)[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)[N@H+](C)C1 ZINC000329001053 437300857 /nfs/dbraw/zinc/30/08/57/437300857.db2.gz GWSMKGLZRDEBOR-MQYQWHSLSA-N 1 2 347.481 0.169 20 30 ECEDLO CO[C@H]1C[C@@H](CN(C)[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)[N@@H+](C)C1 ZINC000329001053 437300861 /nfs/dbraw/zinc/30/08/61/437300861.db2.gz GWSMKGLZRDEBOR-MQYQWHSLSA-N 1 2 347.481 0.169 20 30 ECEDLO CC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000182408733 437347972 /nfs/dbraw/zinc/34/79/72/437347972.db2.gz QIJUWBSXHCTYCD-CYBMUJFWSA-N 1 2 341.408 0.775 20 30 ECEDLO C[C@H]([C@H](C)NC(=O)[C@@H]1CC[C@H](C(=O)N(C)C)O1)[NH+]1CCOCC1 ZINC000329291087 437348530 /nfs/dbraw/zinc/34/85/30/437348530.db2.gz QRXVCALPCGRXBB-RFQIPJPRSA-N 1 2 327.425 0.688 20 30 ECEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000329345782 437355548 /nfs/dbraw/zinc/35/55/48/437355548.db2.gz UYOYSTLHDHDZEL-CABCVRRESA-N 1 2 334.468 0.759 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337518865 437361901 /nfs/dbraw/zinc/36/19/01/437361901.db2.gz NVMGQIWESSNKKX-ZFWWWQNUSA-N 1 2 329.466 0.940 20 30 ECEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337518865 437361907 /nfs/dbraw/zinc/36/19/07/437361907.db2.gz NVMGQIWESSNKKX-ZFWWWQNUSA-N 1 2 329.466 0.940 20 30 ECEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCC3(C)COC3)ccn2)CC1 ZINC000329400330 437364054 /nfs/dbraw/zinc/36/40/54/437364054.db2.gz AZJUOXSNQLBTQS-UHFFFAOYSA-N 1 2 347.419 0.832 20 30 ECEDLO C[C@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C(=O)N1CCOCC1 ZINC000329423740 437367305 /nfs/dbraw/zinc/36/73/05/437367305.db2.gz HYANTYKVWCGIGU-ZFWWWQNUSA-N 1 2 339.436 0.834 20 30 ECEDLO C[C@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C(=O)N1CCOCC1 ZINC000329423740 437367315 /nfs/dbraw/zinc/36/73/15/437367315.db2.gz HYANTYKVWCGIGU-ZFWWWQNUSA-N 1 2 339.436 0.834 20 30 ECEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NC3(CO)CCC3)ccn2)CC1 ZINC000329427542 437367908 /nfs/dbraw/zinc/36/79/08/437367908.db2.gz JLZZIYKZERLWPJ-UHFFFAOYSA-N 1 2 347.419 0.519 20 30 ECEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)CCn2nc3ccccn3c2=O)C1 ZINC000329447522 437369011 /nfs/dbraw/zinc/36/90/11/437369011.db2.gz MFFHUIOOEAOQLX-ZDUSSCGKSA-N 1 2 332.408 0.088 20 30 ECEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CCn2nc3ccccn3c2=O)C1 ZINC000329447522 437369015 /nfs/dbraw/zinc/36/90/15/437369015.db2.gz MFFHUIOOEAOQLX-ZDUSSCGKSA-N 1 2 332.408 0.088 20 30 ECEDLO CCN(CCC#N)S(=O)(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000337081573 437328716 /nfs/dbraw/zinc/32/87/16/437328716.db2.gz YPGMNLHMJRWPJK-AWEZNQCLSA-N 1 2 330.454 0.121 20 30 ECEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCN2CCOC[C@@H]2C1 ZINC000329803347 437414964 /nfs/dbraw/zinc/41/49/64/437414964.db2.gz ZPDGEWAUNJCDFV-HNNXBMFYSA-N 1 2 333.436 0.692 20 30 ECEDLO C=CCOCC[NH+]1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000338893444 437423793 /nfs/dbraw/zinc/42/37/93/437423793.db2.gz KTJAGQJTFPMBHJ-UHFFFAOYSA-N 1 2 331.482 0.927 20 30 ECEDLO N#Cc1cncc(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000289619613 437427938 /nfs/dbraw/zinc/42/79/38/437427938.db2.gz YXJUTBAAFSYGEG-ZDUSSCGKSA-N 1 2 329.385 0.905 20 30 ECEDLO CN1CCN(CC(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000329636604 437394848 /nfs/dbraw/zinc/39/48/48/437394848.db2.gz YGIWGXUKZMVNCK-UHFFFAOYSA-N 1 2 331.420 0.781 20 30 ECEDLO CN(C[C@@H]1CCOC1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000330232310 437471816 /nfs/dbraw/zinc/47/18/16/437471816.db2.gz FJYVDPJYOJEPCZ-AWEZNQCLSA-N 1 2 337.424 0.729 20 30 ECEDLO CC(C)N1C[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1=O ZINC000330239056 437472498 /nfs/dbraw/zinc/47/24/98/437472498.db2.gz IDBDSBDJEUNTKK-HUUCEWRRSA-N 1 2 338.452 0.706 20 30 ECEDLO COC(=O)c1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cn1C ZINC000339586317 437475157 /nfs/dbraw/zinc/47/51/57/437475157.db2.gz HTFSPAYUXFLROU-UHFFFAOYSA-N 1 2 348.403 0.500 20 30 ECEDLO Cc1nccc(CCC(=O)N(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000339586823 437476024 /nfs/dbraw/zinc/47/60/24/437476024.db2.gz MFHJYQPNHAYBOA-UHFFFAOYSA-N 1 2 331.420 0.792 20 30 ECEDLO CN(Cc1ncnn1CC(F)F)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000330269793 437477803 /nfs/dbraw/zinc/47/78/03/437477803.db2.gz SJAURACYMCHJJH-SNVBAGLBSA-N 1 2 332.355 0.220 20 30 ECEDLO CN(Cc1ncnn1CC(F)F)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000330269793 437477807 /nfs/dbraw/zinc/47/78/07/437477807.db2.gz SJAURACYMCHJJH-SNVBAGLBSA-N 1 2 332.355 0.220 20 30 ECEDLO O=C([C@@H]1CCCO1)N1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330314349 437482920 /nfs/dbraw/zinc/48/29/20/437482920.db2.gz XUOFKXSZVJPKTK-KBPBESRZSA-N 1 2 347.419 0.435 20 30 ECEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCCN(c4ncccn4)C3)C[C@H]21 ZINC000329952467 437436471 /nfs/dbraw/zinc/43/64/71/437436471.db2.gz NEZBVQYFWGLPQE-RBSFLKMASA-N 1 2 346.435 0.374 20 30 ECEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCCN(c4ncccn4)C3)C[C@H]21 ZINC000329952467 437436473 /nfs/dbraw/zinc/43/64/73/437436473.db2.gz NEZBVQYFWGLPQE-RBSFLKMASA-N 1 2 346.435 0.374 20 30 ECEDLO CC#CCCCC(=O)N1CC[NH+]([C@H](C)C(=O)NCCCOC)CC1 ZINC000185473265 437441031 /nfs/dbraw/zinc/44/10/31/437441031.db2.gz LHGHLSRQCIVFTP-MRXNPFEDSA-N 1 2 337.464 0.865 20 30 ECEDLO C=C[C@@H](CO)NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000289972464 437453348 /nfs/dbraw/zinc/45/33/48/437453348.db2.gz FVZNIAYNOJQNFW-HNNXBMFYSA-N 1 2 346.431 0.036 20 30 ECEDLO COCCO[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000289963010 437453484 /nfs/dbraw/zinc/45/34/84/437453484.db2.gz PVAJSHSFWGMFKT-AWEZNQCLSA-N 1 2 339.417 0.464 20 30 ECEDLO COCCO[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000289963010 437453487 /nfs/dbraw/zinc/45/34/87/437453487.db2.gz PVAJSHSFWGMFKT-AWEZNQCLSA-N 1 2 339.417 0.464 20 30 ECEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000330125442 437456733 /nfs/dbraw/zinc/45/67/33/437456733.db2.gz CQAAKRDVJDJZIR-GDBMZVCRSA-N 1 2 341.452 0.891 20 30 ECEDLO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000330196674 437467941 /nfs/dbraw/zinc/46/79/41/437467941.db2.gz QQTRMUBMOLVNAI-STQMWFEESA-N 1 2 326.422 0.757 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000330381635 437495407 /nfs/dbraw/zinc/49/54/07/437495407.db2.gz IJHMTRLQBJGSFL-ZIAGYGMSSA-N 1 2 332.470 0.365 20 30 ECEDLO C=CCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000187279251 437497242 /nfs/dbraw/zinc/49/72/42/437497242.db2.gz SMJKXMSDPOMNNL-UHFFFAOYSA-N 1 2 344.415 0.591 20 30 ECEDLO C=CCNC(=O)CN1CC[N@H+](CC(=O)NCC=C)[C@H]2CCCC[C@H]21 ZINC000339734402 437501614 /nfs/dbraw/zinc/50/16/14/437501614.db2.gz SWSDMXWACWOCPG-IYBDPMFKSA-N 1 2 334.464 0.520 20 30 ECEDLO C=CCNC(=O)CN1CC[N@@H+](CC(=O)NCC=C)[C@H]2CCCC[C@H]21 ZINC000339734402 437501618 /nfs/dbraw/zinc/50/16/18/437501618.db2.gz SWSDMXWACWOCPG-IYBDPMFKSA-N 1 2 334.464 0.520 20 30 ECEDLO C=CCNC(=O)CN1CC[N@H+](CC(=O)NCC=C)[C@@H]2CCCC[C@@H]21 ZINC000339734402 437501623 /nfs/dbraw/zinc/50/16/23/437501623.db2.gz SWSDMXWACWOCPG-IYBDPMFKSA-N 1 2 334.464 0.520 20 30 ECEDLO C=CCNC(=O)CN1CC[N@@H+](CC(=O)NCC=C)[C@@H]2CCCC[C@@H]21 ZINC000339734402 437501628 /nfs/dbraw/zinc/50/16/28/437501628.db2.gz SWSDMXWACWOCPG-IYBDPMFKSA-N 1 2 334.464 0.520 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000330411543 437504802 /nfs/dbraw/zinc/50/48/02/437504802.db2.gz KKNUZXKNLRXMJA-MGPQQGTHSA-N 1 2 332.470 0.554 20 30 ECEDLO CC[C@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)CC[N@@H+]1CCOC ZINC000330416459 437505358 /nfs/dbraw/zinc/50/53/58/437505358.db2.gz OLNFNIZCBUMJJN-KGLIPLIRSA-N 1 2 332.470 0.508 20 30 ECEDLO CC[C@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)CC[N@H+]1CCOC ZINC000330416459 437505361 /nfs/dbraw/zinc/50/53/61/437505361.db2.gz OLNFNIZCBUMJJN-KGLIPLIRSA-N 1 2 332.470 0.508 20 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/nfs/dbraw/zinc/62/66/97/437626697.db2.gz HVCMCXWYMOUASJ-XQQFMLRXSA-N 1 2 335.470 0.111 20 30 ECEDLO CCS(=O)(=O)C[C@H](C)NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000330833977 437626702 /nfs/dbraw/zinc/62/67/02/437626702.db2.gz HVCMCXWYMOUASJ-XQQFMLRXSA-N 1 2 335.470 0.111 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H]2CCO[C@@H](CC)C2)CC1 ZINC000360679967 437632614 /nfs/dbraw/zinc/63/26/14/437632614.db2.gz JBSBFUSDJYJBBJ-IRXDYDNUSA-N 1 2 349.475 0.865 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2CCO[C@@H](CC)C2)CC1 ZINC000360679967 437632618 /nfs/dbraw/zinc/63/26/18/437632618.db2.gz JBSBFUSDJYJBBJ-IRXDYDNUSA-N 1 2 349.475 0.865 20 30 ECEDLO C[C@@H](O)CCN(C)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330895941 437644533 /nfs/dbraw/zinc/64/45/33/437644533.db2.gz SGUTUFTZRGJESU-CYBMUJFWSA-N 1 2 349.435 0.717 20 30 ECEDLO CC[N@H+](CC(N)=O)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000191705910 437654878 /nfs/dbraw/zinc/65/48/78/437654878.db2.gz YGLNPVOFQYOIHM-UHFFFAOYSA-N 1 2 341.333 0.980 20 30 ECEDLO CC[N@@H+](CC(N)=O)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000191705910 437654885 /nfs/dbraw/zinc/65/48/85/437654885.db2.gz YGLNPVOFQYOIHM-UHFFFAOYSA-N 1 2 341.333 0.980 20 30 ECEDLO CCOC(=O)C1(O)CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000331002072 437667370 /nfs/dbraw/zinc/66/73/70/437667370.db2.gz QVIQPGAPFDKYSZ-UHFFFAOYSA-N 1 2 337.420 0.719 20 30 ECEDLO C=CCc1cc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc(OC)c1O ZINC000355331347 437697900 /nfs/dbraw/zinc/69/79/00/437697900.db2.gz YWISJFWQSDFZOQ-CYBMUJFWSA-N 1 2 331.372 0.865 20 30 ECEDLO C=CCc1cc(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc(OC)c1O ZINC000355331347 437697906 /nfs/dbraw/zinc/69/79/06/437697906.db2.gz YWISJFWQSDFZOQ-CYBMUJFWSA-N 1 2 331.372 0.865 20 30 ECEDLO C[C@@H]1CN(CC[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)CCO1 ZINC000192756868 437692160 /nfs/dbraw/zinc/69/21/60/437692160.db2.gz GLVCRWIOSHUGDW-LSDHHAIUSA-N 1 2 330.436 0.579 20 30 ECEDLO C[C@@H]1CN(CC[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)CCO1 ZINC000192756868 437692165 /nfs/dbraw/zinc/69/21/65/437692165.db2.gz GLVCRWIOSHUGDW-LSDHHAIUSA-N 1 2 330.436 0.579 20 30 ECEDLO N#Cc1cccc([C@H]2C[N@H+](CCCN3C(=O)CNC3=O)CCO2)c1 ZINC000362058070 437712838 /nfs/dbraw/zinc/71/28/38/437712838.db2.gz CHSVZIYJHBLNHG-OAHLLOKOSA-N 1 2 328.372 0.873 20 30 ECEDLO N#Cc1cccc([C@H]2C[N@@H+](CCCN3C(=O)CNC3=O)CCO2)c1 ZINC000362058070 437712843 /nfs/dbraw/zinc/71/28/43/437712843.db2.gz CHSVZIYJHBLNHG-OAHLLOKOSA-N 1 2 328.372 0.873 20 30 ECEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000331268686 437730989 /nfs/dbraw/zinc/73/09/89/437730989.db2.gz LBBRVHHQLXFBSZ-CRAIPNDOSA-N 1 2 337.464 0.980 20 30 ECEDLO CN(C)c1nc(N)nc(C[N@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344101462 437732425 /nfs/dbraw/zinc/73/24/25/437732425.db2.gz DVAOOMPRALASMX-UHFFFAOYSA-N 1 2 341.419 1.040 20 30 ECEDLO CN(C)c1nc(N)nc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344101462 437732427 /nfs/dbraw/zinc/73/24/27/437732427.db2.gz DVAOOMPRALASMX-UHFFFAOYSA-N 1 2 341.419 1.040 20 30 ECEDLO CC1(C)C[N@H+](CCNC(=O)c2ccnc(S(N)(=O)=O)c2)CCO1 ZINC000331305932 437737311 /nfs/dbraw/zinc/73/73/11/437737311.db2.gz DWCWLIGNRPTJAY-UHFFFAOYSA-N 1 2 342.421 0.144 20 30 ECEDLO CC1(C)C[N@@H+](CCNC(=O)c2ccnc(S(N)(=O)=O)c2)CCO1 ZINC000331305932 437737316 /nfs/dbraw/zinc/73/73/16/437737316.db2.gz DWCWLIGNRPTJAY-UHFFFAOYSA-N 1 2 342.421 0.144 20 30 ECEDLO CCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000356125613 437749350 /nfs/dbraw/zinc/74/93/50/437749350.db2.gz RCFZJQLYMXKDLZ-DZGCQCFKSA-N 1 2 329.466 0.940 20 30 ECEDLO CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000356125613 437749353 /nfs/dbraw/zinc/74/93/53/437749353.db2.gz RCFZJQLYMXKDLZ-DZGCQCFKSA-N 1 2 329.466 0.940 20 30 ECEDLO N#CCNC(=O)CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000344315262 437751587 /nfs/dbraw/zinc/75/15/87/437751587.db2.gz HVTLDJXJHUNCKD-UHFFFAOYSA-N 1 2 326.360 0.370 20 30 ECEDLO C=CCCC(=O)CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000346622784 437816702 /nfs/dbraw/zinc/81/67/02/437816702.db2.gz UWIRQVXWQOJAJF-UHFFFAOYSA-N 1 2 337.376 0.035 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000345038695 437778246 /nfs/dbraw/zinc/77/82/46/437778246.db2.gz ULAKICXGQVUBBF-QGZVFWFLSA-N 1 2 343.427 0.741 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000363484108 437793491 /nfs/dbraw/zinc/79/34/91/437793491.db2.gz RJBVIGXRBSPTFC-UHFFFAOYSA-N 1 2 347.390 0.488 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000363484108 437793496 /nfs/dbraw/zinc/79/34/96/437793496.db2.gz RJBVIGXRBSPTFC-UHFFFAOYSA-N 1 2 347.390 0.488 20 30 ECEDLO COc1ccnc(N2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)n1 ZINC000346248961 437807741 /nfs/dbraw/zinc/80/77/41/437807741.db2.gz VWVJQXBEDLKWCW-CYBMUJFWSA-N 1 2 344.419 0.558 20 30 ECEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N(CCC#N)Cc1cccnc1 ZINC000346527849 437814840 /nfs/dbraw/zinc/81/48/40/437814840.db2.gz IEIGRGHJCVFSEO-UHFFFAOYSA-N 1 2 331.420 0.780 20 30 ECEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N(CCC#N)Cc1cccnc1 ZINC000346527849 437814845 /nfs/dbraw/zinc/81/48/45/437814845.db2.gz IEIGRGHJCVFSEO-UHFFFAOYSA-N 1 2 331.420 0.780 20 30 ECEDLO COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)[C@@H](C)C#N)CC2)cc1 ZINC000347101212 437832354 /nfs/dbraw/zinc/83/23/54/437832354.db2.gz GXJIYMOZKWQKSM-AWEZNQCLSA-N 1 2 344.415 0.729 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2cc(C)nc(C#N)c2)CC1 ZINC000341979298 437935194 /nfs/dbraw/zinc/93/51/94/437935194.db2.gz YJLSVLXCLTZVOK-HNNXBMFYSA-N 1 2 345.447 0.925 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000371550541 437954335 /nfs/dbraw/zinc/95/43/35/437954335.db2.gz CNKOMSBVHITNLG-LBPRGKRZSA-N 1 2 335.383 0.743 20 30 ECEDLO COC(=O)[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CC[N@H+](C)C1 ZINC000416586222 437967357 /nfs/dbraw/zinc/96/73/57/437967357.db2.gz OPCKLJDSMVKMHN-CYBMUJFWSA-N 1 2 337.401 0.284 20 30 ECEDLO COC(=O)[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CC[N@@H+](C)C1 ZINC000416586222 437967371 /nfs/dbraw/zinc/96/73/71/437967371.db2.gz OPCKLJDSMVKMHN-CYBMUJFWSA-N 1 2 337.401 0.284 20 30 ECEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)CNc2ccc(C#N)cc2)CC1 ZINC000357383864 437974698 /nfs/dbraw/zinc/97/46/98/437974698.db2.gz SKLOGXDDCVSRJJ-UHFFFAOYSA-N 1 2 329.404 0.378 20 30 ECEDLO CCCCNC(=O)NC(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000357636385 438030877 /nfs/dbraw/zinc/03/08/77/438030877.db2.gz LTZRKHPFVYUWNK-UHFFFAOYSA-N 1 2 339.440 0.160 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000425847856 438045122 /nfs/dbraw/zinc/04/51/22/438045122.db2.gz DAXSCLWHPBKCLE-ULQDDVLXSA-N 1 2 336.480 0.999 20 30 ECEDLO C=CCOCCCC(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000366297107 438047913 /nfs/dbraw/zinc/04/79/13/438047913.db2.gz KEXDDOOUYKRZJC-KRWDZBQOSA-N 1 2 326.437 0.967 20 30 ECEDLO CC[C@H]1C[C@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)CC(=O)N1 ZINC000348742793 438090894 /nfs/dbraw/zinc/09/08/94/438090894.db2.gz VQQMBPCRMRFQKE-GJZGRUSLSA-N 1 2 336.436 0.366 20 30 ECEDLO Cn1cc(C[NH+]2CCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)cn1 ZINC000348368470 438053735 /nfs/dbraw/zinc/05/37/35/438053735.db2.gz SROROXODCDTNMM-UHFFFAOYSA-N 1 2 327.348 0.917 20 30 ECEDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C2 ZINC000372618574 438105409 /nfs/dbraw/zinc/10/54/09/438105409.db2.gz YYECBNCNAWTFRL-OAHLLOKOSA-N 1 2 337.383 0.924 20 30 ECEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H]1C ZINC000349804829 438180604 /nfs/dbraw/zinc/18/06/04/438180604.db2.gz VTZCOFGMYUVJBL-KFWWJZLASA-N 1 2 344.481 0.508 20 30 ECEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000349803084 438181721 /nfs/dbraw/zinc/18/17/21/438181721.db2.gz RNYYOJYQAHQWPB-MGPQQGTHSA-N 1 2 330.454 0.260 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000374531504 438216791 /nfs/dbraw/zinc/21/67/91/438216791.db2.gz UMZOYBSCPHPKFS-HOTGVXAUSA-N 1 2 349.479 0.281 20 30 ECEDLO C=C[C@H](CO)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000350552167 438218650 /nfs/dbraw/zinc/21/86/50/438218650.db2.gz FPBPMDVPFOCXQF-GFCCVEGCSA-N 1 2 333.392 0.138 20 30 ECEDLO COC(=O)C1(O)CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000376810456 438292239 /nfs/dbraw/zinc/29/22/39/438292239.db2.gz IWMDNPRDJMEEEG-ZDUSSCGKSA-N 1 2 337.420 0.717 20 30 ECEDLO N#CC1(c2ccc(C(=O)N3CCC[N@@H+](CC(N)=O)CC3)cc2)CC1 ZINC000378470094 438392452 /nfs/dbraw/zinc/39/24/52/438392452.db2.gz BDSKWUOPQFYXDQ-UHFFFAOYSA-N 1 2 326.400 0.875 20 30 ECEDLO N#CC1(c2ccc(C(=O)N3CCC[N@H+](CC(N)=O)CC3)cc2)CC1 ZINC000378470094 438392454 /nfs/dbraw/zinc/39/24/54/438392454.db2.gz BDSKWUOPQFYXDQ-UHFFFAOYSA-N 1 2 326.400 0.875 20 30 ECEDLO COC(=O)C[N@@H+]1CCCN(C(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000378324391 438376338 /nfs/dbraw/zinc/37/63/38/438376338.db2.gz UTEZXRANPKUYOE-UHFFFAOYSA-N 1 2 345.399 0.839 20 30 ECEDLO COC(=O)C[N@H+]1CCCN(C(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000378324391 438376340 /nfs/dbraw/zinc/37/63/40/438376340.db2.gz UTEZXRANPKUYOE-UHFFFAOYSA-N 1 2 345.399 0.839 20 30 ECEDLO C=CCNC(=O)c1ccc(N2CC[NH+](CC(=O)NCC)CC2)nc1 ZINC000352785020 438473665 /nfs/dbraw/zinc/47/36/65/438473665.db2.gz ZGOWGMHVXJJNMU-UHFFFAOYSA-N 1 2 331.420 0.256 20 30 ECEDLO CN(C(=O)C[N@@H+]1CCN2C(=O)N(C)C(=O)[C@H]2C1)C1(C#N)CCCCC1 ZINC000369437294 438474550 /nfs/dbraw/zinc/47/45/50/438474550.db2.gz KIJVDWDRCPSOQZ-CYBMUJFWSA-N 1 2 347.419 0.249 20 30 ECEDLO CN(C(=O)C[N@H+]1CCN2C(=O)N(C)C(=O)[C@H]2C1)C1(C#N)CCCCC1 ZINC000369437294 438474555 /nfs/dbraw/zinc/47/45/55/438474555.db2.gz KIJVDWDRCPSOQZ-CYBMUJFWSA-N 1 2 347.419 0.249 20 30 ECEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cncc(OC)n2)CC1 ZINC000369356506 438459175 /nfs/dbraw/zinc/45/91/75/438459175.db2.gz XPUJIPNQWJUFPG-GFCCVEGCSA-N 1 2 348.407 0.008 20 30 ECEDLO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CC(OCC(=O)N(C)C)C1 ZINC000353015268 438499466 /nfs/dbraw/zinc/49/94/66/438499466.db2.gz UFBAESXAJUTIEY-INIZCTEOSA-N 1 2 348.443 0.944 20 30 ECEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1 ZINC000442809335 438625953 /nfs/dbraw/zinc/62/59/53/438625953.db2.gz JVLGHLBLLGHZTP-UHFFFAOYSA-N 1 2 328.416 0.987 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC000442809335 438625957 /nfs/dbraw/zinc/62/59/57/438625957.db2.gz JVLGHLBLLGHZTP-UHFFFAOYSA-N 1 2 328.416 0.987 20 30 ECEDLO CN(C)c1ncc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cn1 ZINC000443947256 438656555 /nfs/dbraw/zinc/65/65/55/438656555.db2.gz SIHVYGVJFHBVQI-UHFFFAOYSA-N 1 2 347.423 0.622 20 30 ECEDLO C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)C[C@@H](Cc2ccc(F)cc2)C1=O ZINC000414124836 438699875 /nfs/dbraw/zinc/69/98/75/438699875.db2.gz CQPUJWURCSXRCY-GDBMZVCRSA-N 1 2 347.390 0.950 20 30 ECEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)C[C@@H](Cc2ccc(F)cc2)C1=O ZINC000414124836 438699877 /nfs/dbraw/zinc/69/98/77/438699877.db2.gz CQPUJWURCSXRCY-GDBMZVCRSA-N 1 2 347.390 0.950 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN(c2cnc(C(=O)OCC)cn2)CC1 ZINC000547958014 438721120 /nfs/dbraw/zinc/72/11/20/438721120.db2.gz QDLSCSZYUNCDTE-UHFFFAOYSA-N 1 2 333.392 0.078 20 30 ECEDLO C=CCC[C@@H](CO)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000454826808 438730353 /nfs/dbraw/zinc/73/03/53/438730353.db2.gz KWXPSKZYQDRKIK-AWEZNQCLSA-N 1 2 337.424 0.664 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000494748039 438707253 /nfs/dbraw/zinc/70/72/53/438707253.db2.gz JIKJQPMLVBGBRL-CHWSQXEVSA-N 1 2 330.454 0.008 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000494748039 438707255 /nfs/dbraw/zinc/70/72/55/438707255.db2.gz JIKJQPMLVBGBRL-CHWSQXEVSA-N 1 2 330.454 0.008 20 30 ECEDLO N#CCCCCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000576657633 438792216 /nfs/dbraw/zinc/79/22/16/438792216.db2.gz NCAONYDLTMITOU-GJZGRUSLSA-N 1 2 336.436 0.556 20 30 ECEDLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)CC1(C#N)CCCC1 ZINC000577206673 438824480 /nfs/dbraw/zinc/82/44/80/438824480.db2.gz KCDJCHGYWZIRPQ-ZIAGYGMSSA-N 1 2 329.466 0.787 20 30 ECEDLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)CC1(C#N)CCCC1 ZINC000577206673 438824487 /nfs/dbraw/zinc/82/44/87/438824487.db2.gz KCDJCHGYWZIRPQ-ZIAGYGMSSA-N 1 2 329.466 0.787 20 30 ECEDLO C=CC[C@@H]1CCC[N@H+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000595659064 438841177 /nfs/dbraw/zinc/84/11/77/438841177.db2.gz JEGQJSBLLOLDKR-CHWSQXEVSA-N 1 2 343.449 0.287 20 30 ECEDLO C=CC[C@@H]1CCC[N@@H+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000595659064 438841183 /nfs/dbraw/zinc/84/11/83/438841183.db2.gz JEGQJSBLLOLDKR-CHWSQXEVSA-N 1 2 343.449 0.287 20 30 ECEDLO N#Cc1ncn(CC(=O)N(CCn2cc[nH+]c2)C2CCSCC2)n1 ZINC000588844649 438844098 /nfs/dbraw/zinc/84/40/98/438844098.db2.gz XOJVBPUEWGKYTG-UHFFFAOYSA-N 1 2 345.432 0.771 20 30 ECEDLO CC1(C)[C@H](NS(=O)(=O)c2ccc(C#N)o2)C[C@@H]1[NH+]1CCOCC1 ZINC000601452008 438900501 /nfs/dbraw/zinc/90/05/01/438900501.db2.gz DAKAXXDGZZSTMZ-OLZOCXBDSA-N 1 2 339.417 0.929 20 30 ECEDLO N#CCCOCC[NH+]1CCN(c2ccccc2S(N)(=O)=O)CC1 ZINC000590176871 438902530 /nfs/dbraw/zinc/90/25/30/438902530.db2.gz VJPXWWWLXGWLTM-UHFFFAOYSA-N 1 2 338.433 0.386 20 30 ECEDLO C[N@@H+]1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)[C@@H](CO)C1 ZINC000601469735 438907154 /nfs/dbraw/zinc/90/71/54/438907154.db2.gz ULGIEOJWLXQGGN-LLVKDONJSA-N 1 2 329.809 0.509 20 30 ECEDLO C[N@H+]1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)[C@@H](CO)C1 ZINC000601469735 438907159 /nfs/dbraw/zinc/90/71/59/438907159.db2.gz ULGIEOJWLXQGGN-LLVKDONJSA-N 1 2 329.809 0.509 20 30 ECEDLO N#Cc1cc(O)cc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000589178737 438859815 /nfs/dbraw/zinc/85/98/15/438859815.db2.gz BBXHSGXNLJBAQW-UHFFFAOYSA-N 1 2 341.371 1.045 20 30 ECEDLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000595829074 438868848 /nfs/dbraw/zinc/86/88/48/438868848.db2.gz VZVTVOWCURBZJH-MRXNPFEDSA-N 1 2 343.431 0.862 20 30 ECEDLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000595829074 438868851 /nfs/dbraw/zinc/86/88/51/438868851.db2.gz VZVTVOWCURBZJH-MRXNPFEDSA-N 1 2 343.431 0.862 20 30 ECEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000595902430 438882950 /nfs/dbraw/zinc/88/29/50/438882950.db2.gz JWHLPIFKWRUPCR-UHFFFAOYSA-N 1 2 339.399 0.800 20 30 ECEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000595902430 438882955 /nfs/dbraw/zinc/88/29/55/438882955.db2.gz JWHLPIFKWRUPCR-UHFFFAOYSA-N 1 2 339.399 0.800 20 30 ECEDLO Cc1cccc(S(=O)(=O)N2CC(C[NH+]3CCOCC3)C2)c1C#N ZINC000590588293 438936108 /nfs/dbraw/zinc/93/61/08/438936108.db2.gz NJCWVCCDJJIBJQ-UHFFFAOYSA-N 1 2 335.429 0.819 20 30 ECEDLO CC1(O)CCN(c2cc(NCCn3cnc(C#N)n3)[nH+]cn2)CC1 ZINC000596229158 438944409 /nfs/dbraw/zinc/94/44/09/438944409.db2.gz DLDIYOJZUZTVAO-UHFFFAOYSA-N 1 2 328.380 0.403 20 30 ECEDLO CC1(O)CCN(c2cc(NCCn3cnc(C#N)n3)nc[nH+]2)CC1 ZINC000596229158 438944412 /nfs/dbraw/zinc/94/44/12/438944412.db2.gz DLDIYOJZUZTVAO-UHFFFAOYSA-N 1 2 328.380 0.403 20 30 ECEDLO N#Cc1cc(NC[C@@]2(CO)COCC[N@@H+]2Cc2ccccc2)ncn1 ZINC000596516138 438972690 /nfs/dbraw/zinc/97/26/90/438972690.db2.gz RKFXTJRRRBQVAN-GOSISDBHSA-N 1 2 339.399 1.024 20 30 ECEDLO N#Cc1cc(NC[C@@]2(CO)COCC[N@H+]2Cc2ccccc2)ncn1 ZINC000596516138 438972696 /nfs/dbraw/zinc/97/26/96/438972696.db2.gz RKFXTJRRRBQVAN-GOSISDBHSA-N 1 2 339.399 1.024 20 30 ECEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1cccnc1C#N)C(C)(C)CO ZINC000517959819 438984791 /nfs/dbraw/zinc/98/47/91/438984791.db2.gz AQYXHDOVBCBGCX-ZDUSSCGKSA-N 1 2 349.416 0.725 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3nc4ncccn4n3)CC2)cc1 ZINC000596656993 438985327 /nfs/dbraw/zinc/98/53/27/438985327.db2.gz LCXHKYLFQQPKGF-UHFFFAOYSA-N 1 2 347.382 0.954 20 30 ECEDLO CN(C)S(=O)(=O)c1ccc(OC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000591241718 438992894 /nfs/dbraw/zinc/99/28/94/438992894.db2.gz JULGUFCABBTLOR-CYBMUJFWSA-N 1 2 341.433 0.522 20 30 ECEDLO CN(C)S(=O)(=O)c1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000591241718 438992898 /nfs/dbraw/zinc/99/28/98/438992898.db2.gz JULGUFCABBTLOR-CYBMUJFWSA-N 1 2 341.433 0.522 20 30 ECEDLO N#CCC(=O)N1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000566422653 439053148 /nfs/dbraw/zinc/05/31/48/439053148.db2.gz CFGRWVFUJCXIAN-OAHLLOKOSA-N 1 2 328.372 0.356 20 30 ECEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)NCC1(C#N)CCCCC1 ZINC000597401105 439092417 /nfs/dbraw/zinc/09/24/17/439092417.db2.gz NJIIHJYEKQTYQB-AWEZNQCLSA-N 1 2 336.436 0.414 20 30 ECEDLO C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)NCC1(C#N)CCCCC1 ZINC000597401105 439092421 /nfs/dbraw/zinc/09/24/21/439092421.db2.gz NJIIHJYEKQTYQB-AWEZNQCLSA-N 1 2 336.436 0.414 20 30 ECEDLO CNC(=O)C[NH+]1CCN(c2c(C#N)cnc3ccc(OC)cc32)CC1 ZINC000591889591 439105741 /nfs/dbraw/zinc/10/57/41/439105741.db2.gz ZYYANAIILJRDJK-UHFFFAOYSA-N 1 2 339.399 0.983 20 30 ECEDLO C=CCn1cc(CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)nn1 ZINC000580187623 439070392 /nfs/dbraw/zinc/07/03/92/439070392.db2.gz PLNNKKQFUOVILT-UHFFFAOYSA-N 1 2 341.419 0.887 20 30 ECEDLO Cc1nnc(N2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)n1C ZINC000602944816 439167671 /nfs/dbraw/zinc/16/76/71/439167671.db2.gz UXMBWOHDKRDWLM-GFCCVEGCSA-N 1 2 331.424 0.197 20 30 ECEDLO CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)Cc1ccc(C#N)cn1 ZINC000581080946 439168789 /nfs/dbraw/zinc/16/87/89/439168789.db2.gz ZYHVFLVRFYDMAB-OAHLLOKOSA-N 1 2 331.420 0.935 20 30 ECEDLO CCCNC(=O)C[C@H](C(N)=O)[N@@H+](CCC)Cc1ccc(C#N)cn1 ZINC000581080946 439168793 /nfs/dbraw/zinc/16/87/93/439168793.db2.gz ZYHVFLVRFYDMAB-OAHLLOKOSA-N 1 2 331.420 0.935 20 30 ECEDLO C=CCNC(=O)C[NH+]1CCN([C@@H](C)c2nc(C(=O)OC)co2)CC1 ZINC000602758800 439132778 /nfs/dbraw/zinc/13/27/78/439132778.db2.gz NRQXFTPGPAQMRH-LBPRGKRZSA-N 1 2 336.392 0.442 20 30 ECEDLO Cc1nn(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(=O)o1 ZINC000602760582 439132923 /nfs/dbraw/zinc/13/29/23/439132923.db2.gz YAZMDEVQBANYHT-UHFFFAOYSA-N 1 2 341.371 0.361 20 30 ECEDLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856468 439143544 /nfs/dbraw/zinc/14/35/44/439143544.db2.gz MHALVXBISKPZSE-MJBXVCDLSA-N 1 2 335.452 0.030 20 30 ECEDLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856468 439143553 /nfs/dbraw/zinc/14/35/53/439143553.db2.gz MHALVXBISKPZSE-MJBXVCDLSA-N 1 2 335.452 0.030 20 30 ECEDLO N#Cc1ccc(N2CC[C@@H]([NH+]3CCN(c4nc[nH]n4)CC3)C2=O)cc1 ZINC000602869833 439147531 /nfs/dbraw/zinc/14/75/31/439147531.db2.gz IQHHOLDSADWJCP-OAHLLOKOSA-N 1 2 337.387 0.604 20 30 ECEDLO COC(=O)c1cccc(C[N@H+]2C[C@H](O)C[C@H](C(=O)OC)C2)c1C#N ZINC000592200251 439180543 /nfs/dbraw/zinc/18/05/43/439180543.db2.gz VIPQLAOXPWJBRY-QWHCGFSZSA-N 1 2 332.356 0.701 20 30 ECEDLO COC(=O)c1cccc(C[N@@H+]2C[C@H](O)C[C@H](C(=O)OC)C2)c1C#N ZINC000592200251 439180545 /nfs/dbraw/zinc/18/05/45/439180545.db2.gz VIPQLAOXPWJBRY-QWHCGFSZSA-N 1 2 332.356 0.701 20 30 ECEDLO CCN(C[C@H](C)C#N)C(=O)CN1CC[NH+](CCc2cnccn2)CC1 ZINC000602998876 439180860 /nfs/dbraw/zinc/18/08/60/439180860.db2.gz PNPZMVBHZJVQKC-MRXNPFEDSA-N 1 2 344.463 0.645 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000592201612 439181443 /nfs/dbraw/zinc/18/14/43/439181443.db2.gz XXQNJXDUYFXWDC-KBMXLJTQSA-N 1 2 343.383 0.519 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000592201612 439181447 /nfs/dbraw/zinc/18/14/47/439181447.db2.gz XXQNJXDUYFXWDC-KBMXLJTQSA-N 1 2 343.383 0.519 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000592205853 439183527 /nfs/dbraw/zinc/18/35/27/439183527.db2.gz XZBLUKMXDGYGEG-GDBMZVCRSA-N 1 2 345.399 0.789 20 30 ECEDLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000592205853 439183530 /nfs/dbraw/zinc/18/35/30/439183530.db2.gz XZBLUKMXDGYGEG-GDBMZVCRSA-N 1 2 345.399 0.789 20 30 ECEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597865058 439196073 /nfs/dbraw/zinc/19/60/73/439196073.db2.gz QTSVWYHRSHEZEX-NSHDSACASA-N 1 2 347.400 0.607 20 30 ECEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597865058 439196077 /nfs/dbraw/zinc/19/60/77/439196077.db2.gz QTSVWYHRSHEZEX-NSHDSACASA-N 1 2 347.400 0.607 20 30 ECEDLO Cc1[nH+]c2cc(NC(=O)C(=O)N3CC[C@@](O)(CC#N)C3)ccc2n1C ZINC000592301628 439196994 /nfs/dbraw/zinc/19/69/94/439196994.db2.gz MISMUBUVQOITKY-KRWDZBQOSA-N 1 2 341.371 0.697 20 30 ECEDLO CCN(C[C@@H](C)C#N)C(=O)Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000603208257 439209407 /nfs/dbraw/zinc/20/94/07/439209407.db2.gz GWYBMYXGRNLOQS-AWEZNQCLSA-N 1 2 334.424 0.161 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN[C@H](C(=O)OC)C2CCCCC2)CC1 ZINC000490951414 439317212 /nfs/dbraw/zinc/31/72/12/439317212.db2.gz XTIBRSXVBNLYQI-KRWDZBQOSA-N 1 2 335.448 0.475 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(OC(F)F)n(C)n2)CC1 ZINC000491041580 439326913 /nfs/dbraw/zinc/32/69/13/439326913.db2.gz ZRZZRNBHKBMRAO-UHFFFAOYSA-N 1 2 327.335 0.211 20 30 ECEDLO CCC[C@H]1C(=O)NCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528434967 439335690 /nfs/dbraw/zinc/33/56/90/439335690.db2.gz YEZPOGZQHKMHPT-INIZCTEOSA-N 1 2 339.395 0.887 20 30 ECEDLO CCC[C@H]1C(=O)NCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528434967 439335695 /nfs/dbraw/zinc/33/56/95/439335695.db2.gz YEZPOGZQHKMHPT-INIZCTEOSA-N 1 2 339.395 0.887 20 30 ECEDLO CC(C)(C#N)C[C@H](O)C[NH+]1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000598608206 439287167 /nfs/dbraw/zinc/28/71/67/439287167.db2.gz MDPWGSQIATWWPA-ZDUSSCGKSA-N 1 2 329.466 0.833 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+]([C@H](C)C(=O)NC2CCCCC2)CC1 ZINC000491165322 439341592 /nfs/dbraw/zinc/34/15/92/439341592.db2.gz JWNYVHPFEAUTBT-OAHLLOKOSA-N 1 2 334.464 0.191 20 30 ECEDLO N#Cc1cncn(CC(=O)N2CC[NH+](Cc3cccs3)CC2)c1=O ZINC000582515497 439345101 /nfs/dbraw/zinc/34/51/01/439345101.db2.gz SEXKZNVBUDQQGT-UHFFFAOYSA-N 1 2 343.412 0.521 20 30 ECEDLO C=CCOCC(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000491197555 439346157 /nfs/dbraw/zinc/34/61/57/439346157.db2.gz LEDSPTSRUPCQIE-UHFFFAOYSA-N 1 2 327.425 0.858 20 30 ECEDLO CC1(C)C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H](CO)O1 ZINC000528528646 439347362 /nfs/dbraw/zinc/34/73/62/439347362.db2.gz SXMPGFIAUKJSFF-AWEZNQCLSA-N 1 2 342.395 0.758 20 30 ECEDLO CC1(C)C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H](CO)O1 ZINC000528528646 439347364 /nfs/dbraw/zinc/34/73/64/439347364.db2.gz SXMPGFIAUKJSFF-AWEZNQCLSA-N 1 2 342.395 0.758 20 30 ECEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000528606323 439351689 /nfs/dbraw/zinc/35/16/89/439351689.db2.gz UZPDGYKRGLVXRH-SRVKXCTJSA-N 1 2 349.456 0.968 20 30 ECEDLO C#CCNC(=O)CN1CC[NH+](CC[S@](=O)c2ccccc2)CC1 ZINC000491221779 439353143 /nfs/dbraw/zinc/35/31/43/439353143.db2.gz ZRCXZKKNAURFOF-QHCPKHFHSA-N 1 2 333.457 0.161 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2cnc3cc(Cl)ccc3c2=O)CC1 ZINC000491384484 439373164 /nfs/dbraw/zinc/37/31/64/439373164.db2.gz OXKFTAOQADHSGM-UHFFFAOYSA-N 1 2 344.802 0.827 20 30 ECEDLO N#Cc1ccc(CC(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)cn1 ZINC000528830475 439373276 /nfs/dbraw/zinc/37/32/76/439373276.db2.gz JTBBYTRMJSGWOD-QGZVFWFLSA-N 1 2 344.415 0.445 20 30 ECEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCn1ncc(=O)c2ccccc21 ZINC000569977796 439380810 /nfs/dbraw/zinc/38/08/10/439380810.db2.gz PPKGPDYOTYVMIN-QGZVFWFLSA-N 1 2 327.388 0.747 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3C[C@@H](C(N)=O)C3)CC2)cc1 ZINC000593455013 439383399 /nfs/dbraw/zinc/38/33/99/439383399.db2.gz FSUDEAFRVQLROW-IYBDPMFKSA-N 1 2 341.415 0.649 20 30 ECEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000583024520 439411591 /nfs/dbraw/zinc/41/15/91/439411591.db2.gz APRFTNHQJFYRMY-SNVBAGLBSA-N 1 2 331.344 0.794 20 30 ECEDLO C#C[C@H](C)[N@H+](C)CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000491626802 439414619 /nfs/dbraw/zinc/41/46/19/439414619.db2.gz LZBDQCBBQGSDMF-RYUDHWBXSA-N 1 2 335.429 0.565 20 30 ECEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000491626802 439414625 /nfs/dbraw/zinc/41/46/25/439414625.db2.gz LZBDQCBBQGSDMF-RYUDHWBXSA-N 1 2 335.429 0.565 20 30 ECEDLO C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000491656033 439420127 /nfs/dbraw/zinc/42/01/27/439420127.db2.gz CYYDPWZKXBZTBQ-OAHLLOKOSA-N 1 2 342.443 0.853 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(c2ncnc3cc(F)c(F)cc32)CC1 ZINC000491673382 439423342 /nfs/dbraw/zinc/42/33/42/439423342.db2.gz IKNLXBKQAKZNFH-UHFFFAOYSA-N 1 2 345.353 0.779 20 30 ECEDLO C#CCN1CCN(C(=O)C[NH+]2CCN(c3ccnc(F)c3)CC2)CC1 ZINC000491679827 439426542 /nfs/dbraw/zinc/42/65/42/439426542.db2.gz YAQDKAJBCGRYBB-UHFFFAOYSA-N 1 2 345.422 0.120 20 30 ECEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000593651858 439435523 /nfs/dbraw/zinc/43/55/23/439435523.db2.gz ZGEQDZREFGXLPB-GFCCVEGCSA-N 1 2 341.820 0.651 20 30 ECEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000593651858 439435526 /nfs/dbraw/zinc/43/55/26/439435526.db2.gz ZGEQDZREFGXLPB-GFCCVEGCSA-N 1 2 341.820 0.651 20 30 ECEDLO C#CCNC(=O)C[N@H+]1CCCN(S(=O)(=O)CC(C)(C)C)CC1 ZINC000491729603 439436763 /nfs/dbraw/zinc/43/67/63/439436763.db2.gz INOFXKWFNASWGG-UHFFFAOYSA-N 1 2 329.466 0.119 20 30 ECEDLO C#CCNC(=O)C[N@@H+]1CCCN(S(=O)(=O)CC(C)(C)C)CC1 ZINC000491729603 439436770 /nfs/dbraw/zinc/43/67/70/439436770.db2.gz INOFXKWFNASWGG-UHFFFAOYSA-N 1 2 329.466 0.119 20 30 ECEDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccc(C#N)nc1)C2 ZINC000593696656 439448748 /nfs/dbraw/zinc/44/87/48/439448748.db2.gz BMNJUVPOXBHERO-CYBMUJFWSA-N 1 2 325.372 0.738 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN([C@@H](C)C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000491789674 439450603 /nfs/dbraw/zinc/45/06/03/439450603.db2.gz ZRVSVSAKJPSLLP-HNNXBMFYSA-N 1 2 349.475 0.958 20 30 ECEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC000583389939 439459964 /nfs/dbraw/zinc/45/99/64/439459964.db2.gz AZSGWBPXOZRLBV-UHFFFAOYSA-N 1 2 343.387 0.957 20 30 ECEDLO C[N@@H+]1CCN(C(=O)CC2(C#N)CC2)C[C@H]1CNC(=O)CC1(C#N)CC1 ZINC000593748221 439460039 /nfs/dbraw/zinc/46/00/39/439460039.db2.gz JKNPVWMWDOUILX-CQSZACIVSA-N 1 2 343.431 0.633 20 30 ECEDLO C[N@H+]1CCN(C(=O)CC2(C#N)CC2)C[C@H]1CNC(=O)CC1(C#N)CC1 ZINC000593748221 439460044 /nfs/dbraw/zinc/46/00/44/439460044.db2.gz JKNPVWMWDOUILX-CQSZACIVSA-N 1 2 343.431 0.633 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCO[C@H](CCF)C2)CC1 ZINC000599643372 439524940 /nfs/dbraw/zinc/52/49/40/439524940.db2.gz TVYWJUPUMZGTJN-HZPDHXFCSA-N 1 2 340.443 0.739 20 30 ECEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCO[C@H](CCF)C2)CC1 ZINC000599643372 439524945 /nfs/dbraw/zinc/52/49/45/439524945.db2.gz TVYWJUPUMZGTJN-HZPDHXFCSA-N 1 2 340.443 0.739 20 30 ECEDLO N#Cc1ccc(C[NH+]2CCC(NS(N)(=O)=O)CC2)c([N+](=O)[O-])c1 ZINC000599646751 439527029 /nfs/dbraw/zinc/52/70/29/439527029.db2.gz LCIYJHQAHITFQX-UHFFFAOYSA-N 1 2 339.377 0.224 20 30 ECEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)CCCCC#N)CC1 ZINC000594282187 439535589 /nfs/dbraw/zinc/53/55/89/439535589.db2.gz GGVQKABPPXJBDC-HNNXBMFYSA-N 1 2 338.452 0.756 20 30 ECEDLO CC(C)N(CCC#N)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000609170405 439555096 /nfs/dbraw/zinc/55/50/96/439555096.db2.gz QIHICJNHJVOVJV-OAHLLOKOSA-N 1 2 336.436 0.318 20 30 ECEDLO COc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1-n1cnnn1 ZINC000572092179 439557359 /nfs/dbraw/zinc/55/73/59/439557359.db2.gz HQUBAFSJWSMGTL-HNNXBMFYSA-N 1 2 329.364 0.245 20 30 ECEDLO CCN1C(=O)CO[C@H](C(=O)N2CC[C@](F)(C#N)C2)[C@H]1c1[nH+]ccn1C ZINC000599803011 439561088 /nfs/dbraw/zinc/56/10/88/439561088.db2.gz CNCMKZXPAMFVKD-XEZPLFJOSA-N 1 2 349.366 0.173 20 30 ECEDLO C[C@@H](CNS(=O)(=O)c1ccc(C#N)o1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471941 439565456 /nfs/dbraw/zinc/56/54/56/439565456.db2.gz SZYGTKLRMQKWOR-SDDRHHMPSA-N 1 2 327.406 0.927 20 30 ECEDLO C[C@@H](CNS(=O)(=O)c1ccc(C#N)o1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471941 439565461 /nfs/dbraw/zinc/56/54/61/439565461.db2.gz SZYGTKLRMQKWOR-SDDRHHMPSA-N 1 2 327.406 0.927 20 30 ECEDLO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000599583375 439512143 /nfs/dbraw/zinc/51/21/43/439512143.db2.gz UVIAYSQCOYEDLF-JHJVBQTASA-N 1 2 326.393 0.714 20 30 ECEDLO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000599583375 439512146 /nfs/dbraw/zinc/51/21/46/439512146.db2.gz UVIAYSQCOYEDLF-JHJVBQTASA-N 1 2 326.393 0.714 20 30 ECEDLO CCn1nccc1C[N@H+](CCO)Cc1cnc2c(C#N)cnn2c1 ZINC000584470309 439591133 /nfs/dbraw/zinc/59/11/33/439591133.db2.gz TYHLMNVXIJGXEH-UHFFFAOYSA-N 1 2 325.376 0.812 20 30 ECEDLO CCn1nccc1C[N@@H+](CCO)Cc1cnc2c(C#N)cnn2c1 ZINC000584470309 439591137 /nfs/dbraw/zinc/59/11/37/439591137.db2.gz TYHLMNVXIJGXEH-UHFFFAOYSA-N 1 2 325.376 0.812 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000610011981 439595773 /nfs/dbraw/zinc/59/57/73/439595773.db2.gz FPDKSQCKFAMANX-CYBMUJFWSA-N 1 2 330.392 0.121 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000610011981 439595779 /nfs/dbraw/zinc/59/57/79/439595779.db2.gz FPDKSQCKFAMANX-CYBMUJFWSA-N 1 2 330.392 0.121 20 30 ECEDLO CCN1C(=O)CO[C@H](C(=O)N2CC[C@](C)(C#N)C2)[C@H]1c1[nH+]ccn1C ZINC000600107938 439614018 /nfs/dbraw/zinc/61/40/18/439614018.db2.gz SHOOTUQGUNGZIR-GRDNDAEWSA-N 1 2 345.403 0.471 20 30 ECEDLO CO[C@H](Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O)[C@@H]1CCOC1 ZINC000594897195 439640641 /nfs/dbraw/zinc/64/06/41/439640641.db2.gz CAJXFQLQHZSUNL-NVXWUHKLSA-N 1 2 347.415 0.604 20 30 ECEDLO C[C@@H](NC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C)c1cccc(C#N)c1 ZINC000587705480 439668973 /nfs/dbraw/zinc/66/89/73/439668973.db2.gz SAZVYHQGKARGRX-UONOGXRCSA-N 1 2 344.415 0.572 20 30 ECEDLO C[C@@H](NC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C)c1cccc(C#N)c1 ZINC000587705480 439668978 /nfs/dbraw/zinc/66/89/78/439668978.db2.gz SAZVYHQGKARGRX-UONOGXRCSA-N 1 2 344.415 0.572 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cc1ccc(C#N)cc1 ZINC000600232561 439626568 /nfs/dbraw/zinc/62/65/68/439626568.db2.gz RUYDSWDCQVNVEI-LJQANCHMSA-N 1 2 343.427 0.833 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cc1ccc(C#N)cc1 ZINC000600232561 439626572 /nfs/dbraw/zinc/62/65/72/439626572.db2.gz RUYDSWDCQVNVEI-LJQANCHMSA-N 1 2 343.427 0.833 20 30 ECEDLO C=CCNC(=O)Cn1cc(C[NH+]2CCC(C(=O)OCC)CC2)nn1 ZINC000600975881 439719762 /nfs/dbraw/zinc/71/97/62/439719762.db2.gz FXIOVHDNUQMBNO-UHFFFAOYSA-N 1 2 335.408 0.355 20 30 ECEDLO CC(C)(C)OC(=O)CN1CC[C@H]([NH+]2CCN(CCC#N)CC2)C1=O ZINC000595391731 439720081 /nfs/dbraw/zinc/72/00/81/439720081.db2.gz OWEGNPJUNXWEJE-AWEZNQCLSA-N 1 2 336.436 0.460 20 30 ECEDLO COC(=O)CCN1CC[C@H]([NH+]2CCN([C@@H](C#N)C(C)C)CC2)C1=O ZINC000595399987 439721903 /nfs/dbraw/zinc/72/19/03/439721903.db2.gz ZULGYKJUNYBQKG-GJZGRUSLSA-N 1 2 336.436 0.316 20 30 ECEDLO C[C@@H](C(=O)NC(=O)NCc1ccccc1)[NH+]1CCN(CCC#N)CC1 ZINC000611174090 439677526 /nfs/dbraw/zinc/67/75/26/439677526.db2.gz DCFNNETUNYWKCH-HNNXBMFYSA-N 1 2 343.431 0.932 20 30 ECEDLO CN(C)S(=O)(=O)c1ccc(C[NH+]2CCN(CCC#N)CC2)cc1 ZINC000611224989 439683072 /nfs/dbraw/zinc/68/30/72/439683072.db2.gz AGOQFNHAMFCMQV-UHFFFAOYSA-N 1 2 336.461 0.968 20 30 ECEDLO CN1CC(=O)N(CC[NH+]2CCN(c3cccc(F)c3C#N)CC2)C1=O ZINC000595289747 439690692 /nfs/dbraw/zinc/69/06/92/439690692.db2.gz RFSXAUCLKGPRPX-UHFFFAOYSA-N 1 2 345.378 0.713 20 30 ECEDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000595298450 439692055 /nfs/dbraw/zinc/69/20/55/439692055.db2.gz OTSUNIJIKCHVIS-DLBZAZTESA-N 1 2 349.456 0.882 20 30 ECEDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000595298450 439692063 /nfs/dbraw/zinc/69/20/63/439692063.db2.gz OTSUNIJIKCHVIS-DLBZAZTESA-N 1 2 349.456 0.882 20 30 ECEDLO Cc1nn(C)c(N2CC[NH+](CCn3ccccc3=O)CC2)c1C#N ZINC000615972162 439810298 /nfs/dbraw/zinc/81/02/98/439810298.db2.gz NOARSASZJQKQMZ-UHFFFAOYSA-N 1 2 326.404 0.584 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000616028102 439811049 /nfs/dbraw/zinc/81/10/49/439811049.db2.gz UPBVQEGGFCEESE-DZKIICNBSA-N 1 2 334.372 0.101 20 30 ECEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000616028102 439811050 /nfs/dbraw/zinc/81/10/50/439811050.db2.gz UPBVQEGGFCEESE-DZKIICNBSA-N 1 2 334.372 0.101 20 30 ECEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCOC[C@H]2CO)c(OC)c1 ZINC000661566468 440880149 /nfs/dbraw/zinc/88/01/49/440880149.db2.gz FHHQFUVLIWMZRT-CVEARBPZSA-N 1 2 337.416 0.857 20 30 ECEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCOC[C@H]2CO)c(OC)c1 ZINC000661566468 440880157 /nfs/dbraw/zinc/88/01/57/440880157.db2.gz FHHQFUVLIWMZRT-CVEARBPZSA-N 1 2 337.416 0.857 20 30 ECEDLO CC#CC[NH2+]Cc1cn(CC(=O)NC[C@@H]2Cc3ccccc3O2)nn1 ZINC000640975711 441037309 /nfs/dbraw/zinc/03/73/09/441037309.db2.gz DWXXMEMTMJIWOH-INIZCTEOSA-N 1 2 339.399 0.511 20 30 ECEDLO COc1cc(C#N)ccc1NC(=O)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000546709540 322120350 /nfs/dbraw/zinc/12/03/50/322120350.db2.gz SYRLMRKZGLPSNP-LBPRGKRZSA-N 1 2 346.387 0.342 20 30 ECEDLO COc1cc(C#N)ccc1NC(=O)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000546709540 322120353 /nfs/dbraw/zinc/12/03/53/322120353.db2.gz SYRLMRKZGLPSNP-LBPRGKRZSA-N 1 2 346.387 0.342 20 30 ECEDLO CNS(=O)(=O)C1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000566302222 322522949 /nfs/dbraw/zinc/52/29/49/322522949.db2.gz TYYBYHNANUBFEP-UHFFFAOYSA-N 1 2 338.389 0.980 20 30 ECEDLO CN(CC1CC1)C(=O)Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000576292234 322804873 /nfs/dbraw/zinc/80/48/73/322804873.db2.gz HWPUXAUDLJVBPO-UHFFFAOYSA-N 1 2 344.415 0.421 20 30 ECEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000159449359 527609343 /nfs/dbraw/zinc/60/93/43/527609343.db2.gz SLMXWCYDFMXILH-UHFFFAOYSA-N 1 2 344.415 0.333 20 30 ECEDLO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CSCN2C(=O)C2CCC2)C1 ZINC000329137759 546015841 /nfs/dbraw/zinc/01/58/41/546015841.db2.gz DLHHPQVEAOUFBA-OLZOCXBDSA-N 1 2 327.450 0.975 20 30 ECEDLO C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CSCN2C(=O)C2CCC2)C1 ZINC000329137759 546015846 /nfs/dbraw/zinc/01/58/46/546015846.db2.gz DLHHPQVEAOUFBA-OLZOCXBDSA-N 1 2 327.450 0.975 20 30 ECEDLO [O-]C(=[NH+]C[C@@H](N1CCOCC1)C(F)(F)F)N1CCn2cc[nH+]c2C1 ZINC000329324006 546020077 /nfs/dbraw/zinc/02/00/77/546020077.db2.gz VHPKILGDMJFQIL-LLVKDONJSA-N 1 2 347.341 0.876 20 30 ECEDLO C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1 ZINC000623279771 546766329 /nfs/dbraw/zinc/76/63/29/546766329.db2.gz CYIAUCGSLYRLJK-CYBMUJFWSA-N 1 2 346.412 0.702 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)CCN1CCCS1(=O)=O ZINC000674495437 548635844 /nfs/dbraw/zinc/63/58/44/548635844.db2.gz GTSPVGRZCGFVJJ-CQSZACIVSA-N 1 2 329.466 0.543 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CCN1CCCS1(=O)=O ZINC000674495437 548635846 /nfs/dbraw/zinc/63/58/46/548635846.db2.gz GTSPVGRZCGFVJJ-CQSZACIVSA-N 1 2 329.466 0.543 20 30 ECEDLO C=C[C@@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000675003686 548705182 /nfs/dbraw/zinc/70/51/82/548705182.db2.gz IISAZHYYISVRKG-CYBMUJFWSA-N 1 2 344.415 0.703 20 30 ECEDLO C[N@H+](Cc1nc2ccccc2c(=O)n1CC#N)CC(C)(CO)CO ZINC000759169262 579487280 /nfs/dbraw/zinc/48/72/80/579487280.db2.gz VKGIJOVUFMUQNA-UHFFFAOYSA-N 1 2 330.388 0.343 20 30 ECEDLO C[N@@H+](Cc1nc2ccccc2c(=O)n1CC#N)CC(C)(CO)CO ZINC000759169262 579487281 /nfs/dbraw/zinc/48/72/81/579487281.db2.gz VKGIJOVUFMUQNA-UHFFFAOYSA-N 1 2 330.388 0.343 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CC)c(S(N)(=O)=O)c1 ZINC000732062210 578318626 /nfs/dbraw/zinc/31/86/26/578318626.db2.gz GNBCWICULWHQDV-AWEZNQCLSA-N 1 2 335.429 0.933 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CC)c(S(N)(=O)=O)c1 ZINC000732062210 578318627 /nfs/dbraw/zinc/31/86/27/578318627.db2.gz GNBCWICULWHQDV-AWEZNQCLSA-N 1 2 335.429 0.933 20 30 ECEDLO Cc1nn2c([nH]c3ccccc3c2=O)c1C=[NH+]NCCS(C)(=O)=O ZINC000733204044 578333916 /nfs/dbraw/zinc/33/39/16/578333916.db2.gz FTLBCZFRGNXFNF-UHFFFAOYSA-N 1 2 347.400 0.452 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735381164 578383204 /nfs/dbraw/zinc/38/32/04/578383204.db2.gz MOMVYCMNPOVCKL-UHFFFAOYSA-N 1 2 325.376 0.056 20 30 ECEDLO CCO[C@H]1CC(=NNC(=S)NCC[NH+]2CCOCC2)C1(C)C ZINC000736427613 578428776 /nfs/dbraw/zinc/42/87/76/578428776.db2.gz AXYYOEOIPPGTKA-ZDUSSCGKSA-N 1 2 328.482 0.974 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2oc(CCC)nc2C)CC1 ZINC000794448208 578588916 /nfs/dbraw/zinc/58/89/16/578588916.db2.gz GXUFORSMKLBZNH-UHFFFAOYSA-N 1 2 340.449 0.521 20 30 ECEDLO CCOC(=O)C1(S(C)(=O)=O)CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000796584526 578626372 /nfs/dbraw/zinc/62/63/72/578626372.db2.gz MRRFEIOSDMKAOF-LBPRGKRZSA-N 1 2 332.422 0.357 20 30 ECEDLO C=C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)C(=O)OC ZINC000799978557 578672501 /nfs/dbraw/zinc/67/25/01/578672501.db2.gz KDPNSIBCZGEUAO-SNVBAGLBSA-N 1 2 326.365 0.568 20 30 ECEDLO N#Cc1cccc(CNC(=O)CON=C(N)C[NH+]2CCSCC2)c1 ZINC000780128429 578689011 /nfs/dbraw/zinc/68/90/11/578689011.db2.gz MUWZCEANMKDABQ-UHFFFAOYSA-N 1 2 347.444 0.722 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)CN(CCC)[C@@H](CC)C(=O)OCC)CC1 ZINC000792374752 578906432 /nfs/dbraw/zinc/90/64/32/578906432.db2.gz CSYRNVMKIATWQK-INIZCTEOSA-N 1 2 337.464 0.818 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+](CCC)[C@@H](CC)C(=O)OCC)CC1 ZINC000792374752 578906433 /nfs/dbraw/zinc/90/64/33/578906433.db2.gz CSYRNVMKIATWQK-INIZCTEOSA-N 1 2 337.464 0.818 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+](CCC)[C@@H](CC)C(=O)OCC)CC1 ZINC000792374752 578906434 /nfs/dbraw/zinc/90/64/34/578906434.db2.gz CSYRNVMKIATWQK-INIZCTEOSA-N 1 2 337.464 0.818 20 30 ECEDLO N#Cc1ccccc1S(=O)(=O)NCC(=O)OCCn1cc[nH+]c1 ZINC000771893926 579197530 /nfs/dbraw/zinc/19/75/30/579197530.db2.gz SMGXAJKKIBBXMO-UHFFFAOYSA-N 1 2 334.357 0.276 20 30 ECEDLO COC1(CO)CC[NH+](Cc2nc3ccccc3c(=O)n2CC#N)CC1 ZINC000773945902 579237003 /nfs/dbraw/zinc/23/70/03/579237003.db2.gz ROXPHSPZCFHGQH-UHFFFAOYSA-N 1 2 342.399 0.893 20 30 ECEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Cc1ccccc1CC#N ZINC000777408873 579297820 /nfs/dbraw/zinc/29/78/20/579297820.db2.gz MHQYLFHCQJAPJY-QGZVFWFLSA-N 1 2 331.416 0.447 20 30 ECEDLO C#CCNS(=O)(=O)N1CCN(Cc2cn3c(cccc3C)[nH+]2)CC1 ZINC000761032228 579519920 /nfs/dbraw/zinc/51/99/20/579519920.db2.gz GOKJWPQBJCOCCK-UHFFFAOYSA-N 1 2 347.444 0.228 20 30 ECEDLO C[NH+]1CCN(c2ncc(C=[NH+]Nc3ccc(C(=O)[O-])cn3)cn2)CC1 ZINC000763370276 579559311 /nfs/dbraw/zinc/55/93/11/579559311.db2.gz NFZOVEZBGAQNIF-UHFFFAOYSA-N 1 2 341.375 0.768 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)CC1 ZINC000744425591 579809288 /nfs/dbraw/zinc/80/92/88/579809288.db2.gz SUEVYGNPOFXPFK-QGZVFWFLSA-N 1 2 327.384 0.578 20 30 ECEDLO C[S@](=O)CC[NH+]1CCN(CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000746473493 579840387 /nfs/dbraw/zinc/84/03/87/579840387.db2.gz JHQOYOHPNZDTSK-DEOSSOPVSA-N 1 2 348.472 0.171 20 30 ECEDLO C=CCN(CC=C)C(=O)[C@@H](C)ON=C(N)C[NH+]1CCSCC1 ZINC000121447327 588932629 /nfs/dbraw/zinc/93/26/29/588932629.db2.gz UYEVPRDOOHKCJW-CYBMUJFWSA-N 1 2 326.466 0.913 20 30 ECEDLO O=C(C#CC1CC1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000837429092 588951680 /nfs/dbraw/zinc/95/16/80/588951680.db2.gz DZVLQLCCDWVRPC-UHFFFAOYSA-N 1 2 341.415 0.375 20 30 ECEDLO O=C(C#CC1CC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000837429092 588951683 /nfs/dbraw/zinc/95/16/83/588951683.db2.gz DZVLQLCCDWVRPC-UHFFFAOYSA-N 1 2 341.415 0.375 20 30 ECEDLO N#Cc1ccc(N2CC[NH+]([C@@H]3CCS(=O)(=O)C3)CC2)c(CO)c1 ZINC000891578449 586179050 /nfs/dbraw/zinc/17/90/50/586179050.db2.gz ZAUYKPMCCJXCGL-OAHLLOKOSA-N 1 2 335.429 0.360 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(CC#N)n2)C1 ZINC000891604058 586180885 /nfs/dbraw/zinc/18/08/85/586180885.db2.gz VOUFIQTYFGBJKA-CQSZACIVSA-N 1 2 325.372 0.300 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(CC#N)n2)C1 ZINC000891604058 586180887 /nfs/dbraw/zinc/18/08/87/586180887.db2.gz VOUFIQTYFGBJKA-CQSZACIVSA-N 1 2 325.372 0.300 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(OC)ccc2OC)C1 ZINC000891608820 586181805 /nfs/dbraw/zinc/18/18/05/586181805.db2.gz ZCBZEVBICHKARF-CYBMUJFWSA-N 1 2 345.399 0.856 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(OC)ccc2OC)C1 ZINC000891608820 586181807 /nfs/dbraw/zinc/18/18/07/586181807.db2.gz ZCBZEVBICHKARF-CYBMUJFWSA-N 1 2 345.399 0.856 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C(=O)NC)cc2)C1 ZINC000891605327 586181916 /nfs/dbraw/zinc/18/19/16/586181916.db2.gz CTXDTLKBBGWZPX-HNNXBMFYSA-N 1 2 342.399 0.199 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C(=O)NC)cc2)C1 ZINC000891605327 586181918 /nfs/dbraw/zinc/18/19/18/586181918.db2.gz CTXDTLKBBGWZPX-HNNXBMFYSA-N 1 2 342.399 0.199 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2sccc2C(=O)OC)C1 ZINC000891605556 586181954 /nfs/dbraw/zinc/18/19/54/586181954.db2.gz FZPNCZJPLXPFOV-NSHDSACASA-N 1 2 349.412 0.687 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2sccc2C(=O)OC)C1 ZINC000891605556 586181955 /nfs/dbraw/zinc/18/19/55/586181955.db2.gz FZPNCZJPLXPFOV-NSHDSACASA-N 1 2 349.412 0.687 20 30 ECEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000895915550 586212042 /nfs/dbraw/zinc/21/20/42/586212042.db2.gz BLMXUGJEDGVSRS-UHFFFAOYSA-N 1 2 343.836 0.631 20 30 ECEDLO Cc1cc(C#N)cc(C)c1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000893054991 586308161 /nfs/dbraw/zinc/30/81/61/586308161.db2.gz JPVLRYVKRLHBFE-UHFFFAOYSA-N 1 2 344.415 0.353 20 30 ECEDLO N#CCc1ccc(OC[C@H](O)C[NH+]2CC(N3CCCC3=O)C2)cc1 ZINC000899911384 586512518 /nfs/dbraw/zinc/51/25/18/586512518.db2.gz TUTWKPIUVBJQPO-MRXNPFEDSA-N 1 2 329.400 0.799 20 30 ECEDLO C=C1[C@@H](C(=O)N(C)Cc2ncc[nH]2)[C@@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000900630473 586649834 /nfs/dbraw/zinc/64/98/34/586649834.db2.gz WOHHPEBFVFCGLI-ZIAGYGMSSA-N 1 2 328.376 0.552 20 30 ECEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(C[C@@H]2C[C@@H]3COC[C@H]3O2)c1=O ZINC000901558118 586711285 /nfs/dbraw/zinc/71/12/85/586711285.db2.gz UXYANDDOQDVFIV-IXDOHACOSA-N 1 2 345.399 0.356 20 30 ECEDLO N#Cc1csc(CNS(=O)(=O)CCC[NH+]2CCOCC2)n1 ZINC000907570810 586737700 /nfs/dbraw/zinc/73/77/00/586737700.db2.gz XYMJPVONMRQHSK-UHFFFAOYSA-N 1 2 330.435 0.156 20 30 ECEDLO C[S@@](=O)CC[NH+]1CCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000843395054 589065832 /nfs/dbraw/zinc/06/58/32/589065832.db2.gz LGBDTUOABLICNH-HSZRJFAPSA-N 1 2 332.433 0.097 20 30 ECEDLO Cc1cc(C#N)cc(C)c1Cn1cc(C[NH+](CCO)CCO)nn1 ZINC000905826252 586917470 /nfs/dbraw/zinc/91/74/70/586917470.db2.gz AVQZZPUNSKWMHB-UHFFFAOYSA-N 1 2 329.404 0.602 20 30 ECEDLO Cc1cc(C#N)cc(C)c1CC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000906567669 586955860 /nfs/dbraw/zinc/95/58/60/586955860.db2.gz MRRGEGRQZNFHMD-UHFFFAOYSA-N 1 2 328.416 0.737 20 30 ECEDLO Cc1cc(C#N)cc(C)c1CC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000906567669 586955862 /nfs/dbraw/zinc/95/58/62/586955862.db2.gz MRRGEGRQZNFHMD-UHFFFAOYSA-N 1 2 328.416 0.737 20 30 ECEDLO N#C[C@]1(C(=O)NCC(=O)NCC[NH+]2CCOCC2)CC2CCC1CC2 ZINC000906651736 586961547 /nfs/dbraw/zinc/96/15/47/586961547.db2.gz WIWCRNXJSFHNJS-JTTJXQCZSA-N 1 2 348.447 0.271 20 30 ECEDLO C#Cc1ccc(S(=O)(=O)N2CCC[N@@H+](CC(=O)NCC)CC2)cc1 ZINC000906842954 586987097 /nfs/dbraw/zinc/98/70/97/586987097.db2.gz IZAZODJMZPTKFP-UHFFFAOYSA-N 1 2 349.456 0.500 20 30 ECEDLO C#Cc1ccc(S(=O)(=O)N2CCC[N@H+](CC(=O)NCC)CC2)cc1 ZINC000906842954 586987098 /nfs/dbraw/zinc/98/70/98/586987098.db2.gz IZAZODJMZPTKFP-UHFFFAOYSA-N 1 2 349.456 0.500 20 30 ECEDLO CC(C)OCCS(=O)(=O)N1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000801923984 587005767 /nfs/dbraw/zinc/00/57/67/587005767.db2.gz HQEQKJGHAJQQAF-CQSZACIVSA-N 1 2 333.454 0.287 20 30 ECEDLO C[C@@H](C#N)OCC[NH+]1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000801924642 587006032 /nfs/dbraw/zinc/00/60/32/587006032.db2.gz XPJVVBJXWOTGMX-LBPRGKRZSA-N 1 2 328.394 0.051 20 30 ECEDLO C[C@H](C#N)OCC[N@@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000801935141 587006356 /nfs/dbraw/zinc/00/63/56/587006356.db2.gz WXSABFBAOIVTLT-KGLIPLIRSA-N 1 2 343.383 0.912 20 30 ECEDLO C[C@H](C#N)OCC[N@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000801935141 587006358 /nfs/dbraw/zinc/00/63/58/587006358.db2.gz WXSABFBAOIVTLT-KGLIPLIRSA-N 1 2 343.383 0.912 20 30 ECEDLO C[S@@](=O)CC[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000804497754 587086423 /nfs/dbraw/zinc/08/64/23/587086423.db2.gz HZZVNWFFNHGVKV-HSZRJFAPSA-N 1 2 337.405 0.549 20 30 ECEDLO C#Cc1cncc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000806509111 587099074 /nfs/dbraw/zinc/09/90/74/587099074.db2.gz FLIIEDVKODQZIS-UHFFFAOYSA-N 1 2 336.399 0.405 20 30 ECEDLO C#C[C@H](NC(=O)C(=O)NCc1ccn2cc[nH+]c2c1)[C@@H]1CCCO1 ZINC000806987448 587114038 /nfs/dbraw/zinc/11/40/38/587114038.db2.gz HKENVPORTLRMTL-KBPBESRZSA-N 1 2 326.356 0.248 20 30 ECEDLO CCOC(=O)[C@H]1C[N@H+](Cn2ccc(C)c(C#N)c2=O)CC12COC2 ZINC000840101847 587132129 /nfs/dbraw/zinc/13/21/29/587132129.db2.gz WORAOLJZLFOLHP-CQSZACIVSA-N 1 2 331.372 0.497 20 30 ECEDLO CCOC(=O)[C@H]1C[N@@H+](Cn2ccc(C)c(C#N)c2=O)CC12COC2 ZINC000840101847 587132130 /nfs/dbraw/zinc/13/21/30/587132130.db2.gz WORAOLJZLFOLHP-CQSZACIVSA-N 1 2 331.372 0.497 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[C@H]1CCCO1 ZINC000809307913 587174023 /nfs/dbraw/zinc/17/40/23/587174023.db2.gz HZCLBMHFYYCACO-UKRRQHHQSA-N 1 2 330.388 0.413 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[C@H]1CCCO1 ZINC000809307913 587174024 /nfs/dbraw/zinc/17/40/24/587174024.db2.gz HZCLBMHFYYCACO-UKRRQHHQSA-N 1 2 330.388 0.413 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[C@@H]1CCCO1 ZINC000809307912 587174078 /nfs/dbraw/zinc/17/40/78/587174078.db2.gz HZCLBMHFYYCACO-HIFRSBDPSA-N 1 2 330.388 0.413 20 30 ECEDLO C#C[C@@H](NC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[C@@H]1CCCO1 ZINC000809307912 587174080 /nfs/dbraw/zinc/17/40/80/587174080.db2.gz HZCLBMHFYYCACO-HIFRSBDPSA-N 1 2 330.388 0.413 20 30 ECEDLO N#CC[C@@H](O)C[NH+]1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000809574401 587180198 /nfs/dbraw/zinc/18/01/98/587180198.db2.gz KKBQZOGEDIVLPW-SJORKVTESA-N 1 2 328.416 0.684 20 30 ECEDLO C#CCSCCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000810429136 587196103 /nfs/dbraw/zinc/19/61/03/587196103.db2.gz YHLLALPPSVMLAQ-AWEZNQCLSA-N 1 2 336.461 0.966 20 30 ECEDLO C#CCSCCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000810429136 587196105 /nfs/dbraw/zinc/19/61/05/587196105.db2.gz YHLLALPPSVMLAQ-AWEZNQCLSA-N 1 2 336.461 0.966 20 30 ECEDLO C#CC1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000844045229 589090818 /nfs/dbraw/zinc/09/08/18/589090818.db2.gz DEUYBSNPHXDVSG-INIZCTEOSA-N 1 2 333.432 0.039 20 30 ECEDLO NS(=O)(=O)c1ccc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)cc1 ZINC000811649149 587222918 /nfs/dbraw/zinc/22/29/18/587222918.db2.gz CQIKYTWWDOWSQV-UHFFFAOYSA-N 1 2 343.372 0.756 20 30 ECEDLO Cc1cc(C#N)cnc1C(=O)O[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000816073841 587305762 /nfs/dbraw/zinc/30/57/62/587305762.db2.gz HUHKXWRUERWMOR-CYBMUJFWSA-N 1 2 346.387 0.255 20 30 ECEDLO C#CCCN1CC[NH+](CCOc2ccccc2-c2nn[nH]n2)CC1 ZINC000823844938 587745400 /nfs/dbraw/zinc/74/54/00/587745400.db2.gz KSVIEYWNMMVKLQ-UHFFFAOYSA-N 1 2 326.404 0.886 20 30 ECEDLO C#CCOc1ccccc1C[N@H+]1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O ZINC000827388091 588117735 /nfs/dbraw/zinc/11/77/35/588117735.db2.gz AYMKMSJUIMPQCO-UAGQMJEPSA-N 1 2 335.425 0.942 20 30 ECEDLO C#CCOc1ccccc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O ZINC000827388091 588117737 /nfs/dbraw/zinc/11/77/37/588117737.db2.gz AYMKMSJUIMPQCO-UAGQMJEPSA-N 1 2 335.425 0.942 20 30 ECEDLO C#CCCN(CCOC)C(=O)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000827579405 588130047 /nfs/dbraw/zinc/13/00/47/588130047.db2.gz CWPLIYRGWLWIIB-UHFFFAOYSA-N 1 2 347.415 0.822 20 30 ECEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000847439688 589247316 /nfs/dbraw/zinc/24/73/16/589247316.db2.gz WZUNAOOJTHDENM-CQSZACIVSA-N 1 2 328.416 0.756 20 30 ECEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000847439688 589247318 /nfs/dbraw/zinc/24/73/18/589247318.db2.gz WZUNAOOJTHDENM-CQSZACIVSA-N 1 2 328.416 0.756 20 30 ECEDLO C#CCCN(CCOC)C(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000850710042 589381143 /nfs/dbraw/zinc/38/11/43/589381143.db2.gz QKRJHNQUTAHGSJ-MRXNPFEDSA-N 1 2 345.399 0.560 20 30 ECEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H]2CCCN(CCC(=O)OC)C2=O)n1 ZINC000851996287 589436861 /nfs/dbraw/zinc/43/68/61/589436861.db2.gz MBXQVJWUYFNFQI-MRXNPFEDSA-N 1 2 346.431 0.892 20 30 ECEDLO C#CCn1ccc(C[N@H+](CC)[C@@H]2CCCN(CCC(=O)OC)C2=O)n1 ZINC000851996287 589436863 /nfs/dbraw/zinc/43/68/63/589436863.db2.gz MBXQVJWUYFNFQI-MRXNPFEDSA-N 1 2 346.431 0.892 20 30 ECEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(C)(c2nnc(-c3cccnc3)o2)C1 ZINC000854082732 589570605 /nfs/dbraw/zinc/57/06/05/589570605.db2.gz OSNSKKOVNHFMKK-GFCCVEGCSA-N 1 2 325.372 0.843 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCc2nnc(-c3cnn(C)c3)cc2C1 ZINC000854127746 589572095 /nfs/dbraw/zinc/57/20/95/589572095.db2.gz KGLGDTOUSCEVBX-GFCCVEGCSA-N 1 2 326.404 0.926 20 30 ECEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCc2nnc(-c3cnn(C)c3)cc2C1 ZINC000854127746 589572097 /nfs/dbraw/zinc/57/20/97/589572097.db2.gz KGLGDTOUSCEVBX-GFCCVEGCSA-N 1 2 326.404 0.926 20 30 ECEDLO C=C[C@@H](O)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000854443248 589586571 /nfs/dbraw/zinc/58/65/71/589586571.db2.gz SBFDPWDFAYFCJN-UONOGXRCSA-N 1 2 339.436 0.687 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)CC1 ZINC000112920091 589616817 /nfs/dbraw/zinc/61/68/17/589616817.db2.gz KVBCEDDQOAHVPI-UHFFFAOYSA-N 1 2 349.456 0.764 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 ZINC000112920938 589617698 /nfs/dbraw/zinc/61/76/98/589617698.db2.gz MOIDDPYGGKMCIQ-UHFFFAOYSA-N 1 2 334.383 0.717 20 30 ECEDLO N#CC1(CS(=O)(=O)N2Cc3ccc[nH+]c3N3C[C@H](O)C[C@H]3C2)CC1 ZINC000856532818 589666845 /nfs/dbraw/zinc/66/68/45/589666845.db2.gz XUBGOBCFDZKRHB-UONOGXRCSA-N 1 2 348.428 0.470 20 30 ECEDLO C#CCCOC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000859001848 589791874 /nfs/dbraw/zinc/79/18/74/589791874.db2.gz DOUPLAPWPICIMZ-UHFFFAOYSA-N 1 2 345.403 0.595 20 30 ECEDLO C#CCCOC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000859001848 589791877 /nfs/dbraw/zinc/79/18/77/589791877.db2.gz DOUPLAPWPICIMZ-UHFFFAOYSA-N 1 2 345.403 0.595 20 30 ECEDLO C#CCNC(=O)C[NH+]1CCN(Cc2cccnc2C(F)(F)F)CC1 ZINC000859119733 589800890 /nfs/dbraw/zinc/80/08/90/589800890.db2.gz VWTYQGMBNIEPSJ-UHFFFAOYSA-N 1 2 340.349 0.967 20 30 ECEDLO CCS(=O)(=O)CC[N@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000859210306 589808147 /nfs/dbraw/zinc/80/81/47/589808147.db2.gz UYHOZDVZUSKPHI-CQSZACIVSA-N 1 2 326.418 0.664 20 30 ECEDLO CCS(=O)(=O)CC[N@@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000859210306 589808149 /nfs/dbraw/zinc/80/81/49/589808149.db2.gz UYHOZDVZUSKPHI-CQSZACIVSA-N 1 2 326.418 0.664 20 30 ECEDLO CN1CCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)Cc2ccc[nH+]c21 ZINC000867878633 589858067 /nfs/dbraw/zinc/85/80/67/589858067.db2.gz ODMBHWQQRVBQLZ-KRWDZBQOSA-N 1 2 327.388 0.622 20 30 ECEDLO N#Cc1ccc(N2CCN(C(=O)/C=C\C[NH+]3CCOCC3)CC2)cn1 ZINC000867936526 589864098 /nfs/dbraw/zinc/86/40/98/589864098.db2.gz CMMRUMXISMIRAJ-UPHRSURJSA-N 1 2 341.415 0.490 20 30 ECEDLO N#Cc1ccncc1N1CCN(C(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000868525655 589912450 /nfs/dbraw/zinc/91/24/50/589912450.db2.gz BESNMUMPCQIASP-OWOJBTEDSA-N 1 2 341.415 0.490 20 30 ECEDLO C#CC[C@H](COC)NC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000868818620 589929122 /nfs/dbraw/zinc/92/91/22/589929122.db2.gz CONAAHALBSPHGX-MRXNPFEDSA-N 1 2 331.420 0.385 20 30 ECEDLO N#C[C@@]1(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCCOC1 ZINC000868841470 589929774 /nfs/dbraw/zinc/92/97/74/589929774.db2.gz IJQHVLVWDUFJTO-INIZCTEOSA-N 1 2 337.420 0.304 20 30 ECEDLO C#CC[C@@H]1CCN(C(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2[nH+]ccn2C)C1 ZINC000862576770 589943365 /nfs/dbraw/zinc/94/33/65/589943365.db2.gz KVXOKERHWNKGLL-KBMXLJTQSA-N 1 2 344.415 0.580 20 30 ECEDLO COCCOCC[NH+]1CCN(C(=O)[C@@]2(C#N)CCCOC2)CC1 ZINC000869165603 589951152 /nfs/dbraw/zinc/95/11/52/589951152.db2.gz MNZLLJOEDHOKNS-MRXNPFEDSA-N 1 2 325.409 0.114 20 30 ECEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)C#Cc1cccs1 ZINC000862643492 589953196 /nfs/dbraw/zinc/95/31/96/589953196.db2.gz UZLFWZHZOLIOKW-QGZVFWFLSA-N 1 2 334.441 0.832 20 30 ECEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)C#Cc1cccs1 ZINC000862643492 589953197 /nfs/dbraw/zinc/95/31/97/589953197.db2.gz UZLFWZHZOLIOKW-QGZVFWFLSA-N 1 2 334.441 0.832 20 30 ECEDLO N#CC1(CC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000870058526 589992436 /nfs/dbraw/zinc/99/24/36/589992436.db2.gz MYYMTAUVIXYCKG-HNNXBMFYSA-N 1 2 337.420 0.256 20 30 ECEDLO C#CCSCCNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000123514456 590052435 /nfs/dbraw/zinc/05/24/35/590052435.db2.gz LIKYUHPOFNXLJA-UHFFFAOYSA-N 1 2 329.385 0.688 20 30 ECEDLO CC[C@H](C(=O)N(CC#N)CCC(=O)OC)[N@@H+]1CCO[C@H](CC)C1 ZINC000871344674 590060698 /nfs/dbraw/zinc/06/06/98/590060698.db2.gz UUPRPWMXQASEHJ-ZIAGYGMSSA-N 1 2 325.409 0.791 20 30 ECEDLO CC[C@H](C(=O)N(CC#N)CCC(=O)OC)[N@H+]1CCO[C@H](CC)C1 ZINC000871344674 590060700 /nfs/dbraw/zinc/06/07/00/590060700.db2.gz UUPRPWMXQASEHJ-ZIAGYGMSSA-N 1 2 325.409 0.791 20 30 ECEDLO CCc1ncc(C=NNc2[nH+]ccn2C)n1S(=O)(=O)N(C)C ZINC000872370055 590115568 /nfs/dbraw/zinc/11/55/68/590115568.db2.gz SANOVWLMVKUEHO-UHFFFAOYSA-N 1 2 325.398 0.280 20 30 ECEDLO N#C[C@@]1(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCCOC1 ZINC000864981121 590119145 /nfs/dbraw/zinc/11/91/45/590119145.db2.gz DLDWILVRYJLFTP-HOTGVXAUSA-N 1 2 339.461 0.631 20 30 ECEDLO C#CC[C@H](COC)NC(=O)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000875009052 590262387 /nfs/dbraw/zinc/26/23/87/590262387.db2.gz NRBKBUGFUZPFNE-CQSZACIVSA-N 1 2 342.399 0.615 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000875085599 590269280 /nfs/dbraw/zinc/26/92/80/590269280.db2.gz GGUZQWRHSBVPIQ-AWEZNQCLSA-N 1 2 332.404 0.033 20 30 ECEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000875121009 590272902 /nfs/dbraw/zinc/27/29/02/590272902.db2.gz LBPNTQVZYAQIKB-KRWDZBQOSA-N 1 2 343.427 0.663 20 30 ECEDLO C#CC[C@@H](COC)NC(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000875227898 590284615 /nfs/dbraw/zinc/28/46/15/590284615.db2.gz OVZSLLOMGULNPL-HNNXBMFYSA-N 1 2 342.399 0.456 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000875288324 590290350 /nfs/dbraw/zinc/29/03/50/590290350.db2.gz SQFWMXSEEOBWMB-WBVHZDCISA-N 1 2 343.427 0.834 20 30 ECEDLO C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000875288324 590290351 /nfs/dbraw/zinc/29/03/51/590290351.db2.gz SQFWMXSEEOBWMB-WBVHZDCISA-N 1 2 343.427 0.834 20 30 ECEDLO N#CC1(CNC(=O)N2Cc3ccc[nH+]c3N3C[C@H](O)C[C@H]3C2)CC1 ZINC000875552294 590308633 /nfs/dbraw/zinc/30/86/33/590308633.db2.gz JQZVZXIJWFTBTI-UONOGXRCSA-N 1 2 327.388 0.850 20 30 ECEDLO COC(=O)CNC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000879589376 590326188 /nfs/dbraw/zinc/32/61/88/590326188.db2.gz SBMSFMNVTWXTGV-LBPRGKRZSA-N 1 2 348.378 0.497 20 30 ECEDLO N#Cc1cc(F)ccc1N1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000879588321 590326464 /nfs/dbraw/zinc/32/64/64/590326464.db2.gz CUXYUCSNHAWDKA-UHFFFAOYSA-N 1 2 331.351 0.371 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000879763728 590342158 /nfs/dbraw/zinc/34/21/58/590342158.db2.gz PTXIKGQNVMOYTK-GXFFZTMASA-N 1 2 334.342 0.890 20 30 ECEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000879763728 590342160 /nfs/dbraw/zinc/34/21/60/590342160.db2.gz PTXIKGQNVMOYTK-GXFFZTMASA-N 1 2 334.342 0.890 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCc2c(C(=O)OC)ccc(OC)c2C1 ZINC000880036061 590362509 /nfs/dbraw/zinc/36/25/09/590362509.db2.gz PRVJGDIAJPCVSP-LBPRGKRZSA-N 1 2 330.384 0.978 20 30 ECEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCc2c(C(=O)OC)ccc(OC)c2C1 ZINC000880036061 590362511 /nfs/dbraw/zinc/36/25/11/590362511.db2.gz PRVJGDIAJPCVSP-LBPRGKRZSA-N 1 2 330.384 0.978 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1 ZINC000128212556 590369862 /nfs/dbraw/zinc/36/98/62/590369862.db2.gz IRUSRQNHDIRXKT-HNNXBMFYSA-N 1 2 326.400 0.208 20 30 ECEDLO CO[C@@H]1COCC[C@@H]1[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000880437257 590393002 /nfs/dbraw/zinc/39/30/02/590393002.db2.gz IKYBGOTXTDIRDM-UONOGXRCSA-N 1 2 339.417 0.463 20 30 ECEDLO CO[C@@H]1COCC[C@@H]1[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000880437257 590393005 /nfs/dbraw/zinc/39/30/05/590393005.db2.gz IKYBGOTXTDIRDM-UONOGXRCSA-N 1 2 339.417 0.463 20 30 ECEDLO C#CCC1(O)CC[NH+](CC2=C(C(=O)OCC)[C@@H](C)NC(=O)N2)CC1 ZINC000880476799 590394685 /nfs/dbraw/zinc/39/46/85/590394685.db2.gz GHNVUZAVJAHZOS-GFCCVEGCSA-N 1 2 335.404 0.355 20 30 ECEDLO C[C@@H](C(=O)N1CCN(c2ccc(C#N)cc2)CC1)N1CC[NH2+]CC1=O ZINC000877249748 590449952 /nfs/dbraw/zinc/44/99/52/590449952.db2.gz LPSMBODJDLNTQT-AWEZNQCLSA-N 1 2 341.415 0.027 20 30 ECEDLO C#CCCCCCC[N@@H+]1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000877465358 590467427 /nfs/dbraw/zinc/46/74/27/590467427.db2.gz SMUNEBCFAXGONH-UHFFFAOYSA-N 1 2 333.436 0.532 20 30 ECEDLO C#CCCCCCC[N@H+]1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000877465358 590467428 /nfs/dbraw/zinc/46/74/28/590467428.db2.gz SMUNEBCFAXGONH-UHFFFAOYSA-N 1 2 333.436 0.532 20 30 ECEDLO C=CC[N@@H+](C[C@H](O)CC1(CO)CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000878241271 590509003 /nfs/dbraw/zinc/50/90/03/590509003.db2.gz DAJDJTSLMOYAKK-LSDHHAIUSA-N 1 2 331.478 0.965 20 30 ECEDLO C=CC[N@H+](C[C@H](O)CC1(CO)CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000878241271 590509005 /nfs/dbraw/zinc/50/90/05/590509005.db2.gz DAJDJTSLMOYAKK-LSDHHAIUSA-N 1 2 331.478 0.965 20 30 ECEDLO C=CC[C@H](C(=O)OC)N1CC[N@@H+]([C@H](CC=C)C(=O)OC)CC(O)C1 ZINC000878304384 590514193 /nfs/dbraw/zinc/51/41/93/590514193.db2.gz MIWYVBZLZGQKEL-HUUCEWRRSA-N 1 2 340.420 0.200 20 30 ECEDLO C=CC[C@H](C(=O)OC)N1CC[N@H+]([C@H](CC=C)C(=O)OC)CC(O)C1 ZINC000878304384 590514195 /nfs/dbraw/zinc/51/41/95/590514195.db2.gz MIWYVBZLZGQKEL-HUUCEWRRSA-N 1 2 340.420 0.200 20 30 ECEDLO COC[C@@]1(C(=O)OC(C)(C)C)C[N@H+](CCO[C@@H](C)C#N)CCO1 ZINC000879359672 590582931 /nfs/dbraw/zinc/58/29/31/590582931.db2.gz VJZPXIKZULWRQY-XJKSGUPXSA-N 1 2 328.409 0.974 20 30 ECEDLO COC[C@@]1(C(=O)OC(C)(C)C)C[N@@H+](CCO[C@@H](C)C#N)CCO1 ZINC000879359672 590582933 /nfs/dbraw/zinc/58/29/33/590582933.db2.gz VJZPXIKZULWRQY-XJKSGUPXSA-N 1 2 328.409 0.974 20 30 ECEDLO C#CC[NH+]1CCN(C(=O)Cn2nc(-c3ccco3)ccc2=O)CC1 ZINC000882997140 590600720 /nfs/dbraw/zinc/60/07/20/590600720.db2.gz YLOXPHDYAWDPRC-UHFFFAOYSA-N 1 2 326.356 0.281 20 30 ECEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CC2(OC)CCOCC2)C1 ZINC000885508933 590729373 /nfs/dbraw/zinc/72/93/73/590729373.db2.gz NRKNRPIMBDYPPU-CQSZACIVSA-N 1 2 330.450 0.199 20 30 ECEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CC2(OC)CCOCC2)C1 ZINC000885508933 590729376 /nfs/dbraw/zinc/72/93/76/590729376.db2.gz NRKNRPIMBDYPPU-CQSZACIVSA-N 1 2 330.450 0.199 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000885513662 590729774 /nfs/dbraw/zinc/72/97/74/590729774.db2.gz BOARZAQHHPYSFH-NSHDSACASA-N 1 2 334.401 0.644 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000885513662 590729778 /nfs/dbraw/zinc/72/97/78/590729778.db2.gz BOARZAQHHPYSFH-NSHDSACASA-N 1 2 334.401 0.644 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC000884075394 590732939 /nfs/dbraw/zinc/73/29/39/590732939.db2.gz XEQJZGGZILXUGI-ZDUSSCGKSA-N 1 2 339.436 0.540 20 30 ECEDLO C#CC[N@H+]1CCC[C@H](NC(=O)NCC2(CS(C)(=O)=O)CC2)C1 ZINC000884187339 590767573 /nfs/dbraw/zinc/76/75/73/590767573.db2.gz BHMHUILSJZPPJY-ZDUSSCGKSA-N 1 2 327.450 0.208 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NCC2(CS(C)(=O)=O)CC2)C1 ZINC000884187339 590767576 /nfs/dbraw/zinc/76/75/76/590767576.db2.gz BHMHUILSJZPPJY-ZDUSSCGKSA-N 1 2 327.450 0.208 20 30 ECEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](OCc2ccncc2)C1 ZINC000884334125 590808801 /nfs/dbraw/zinc/80/88/01/590808801.db2.gz IACRUVUBULIEGU-CABCVRRESA-N 1 2 333.388 0.646 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@]3(CO)CCC[C@@H]23)nc1 ZINC000886632794 590867304 /nfs/dbraw/zinc/86/73/04/590867304.db2.gz FPHZSAWXMACUNN-GDBMZVCRSA-N 1 2 335.429 0.964 20 30 ECEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@]3(CO)CCC[C@@H]23)nc1 ZINC000886632794 590867307 /nfs/dbraw/zinc/86/73/07/590867307.db2.gz FPHZSAWXMACUNN-GDBMZVCRSA-N 1 2 335.429 0.964 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000948102254 611428513 /nfs/dbraw/zinc/42/85/13/611428513.db2.gz HAGJHIOHQUAQPU-STQMWFEESA-N 1 2 329.404 0.712 20 30 ECEDLO COC(OC)C(=O)N1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000930957516 611489508 /nfs/dbraw/zinc/48/95/08/611489508.db2.gz WEIWIAGNDCFKCU-HNNXBMFYSA-N 1 2 333.388 0.355 20 30 ECEDLO COC1(OC)CC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@H]1O ZINC000931642522 611560739 /nfs/dbraw/zinc/56/07/39/611560739.db2.gz VCZAXOJNEZIHDI-MRXNPFEDSA-N 1 2 347.415 0.989 20 30 ECEDLO COC1(OC)CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@H]1O ZINC000931642522 611560740 /nfs/dbraw/zinc/56/07/40/611560740.db2.gz VCZAXOJNEZIHDI-MRXNPFEDSA-N 1 2 347.415 0.989 20 30 ECEDLO COC1(OC)CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@H]1O ZINC000931642294 611560757 /nfs/dbraw/zinc/56/07/57/611560757.db2.gz PHMPYCLFWSLHCJ-SWLSCSKDSA-N 1 2 333.388 0.941 20 30 ECEDLO COC1(OC)CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@H]1O ZINC000931642294 611560758 /nfs/dbraw/zinc/56/07/58/611560758.db2.gz PHMPYCLFWSLHCJ-SWLSCSKDSA-N 1 2 333.388 0.941 20 30 ECEDLO C#CCNC(=O)CN1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000932037039 611594318 /nfs/dbraw/zinc/59/43/18/611594318.db2.gz LRXPVCOERDBFRQ-UHFFFAOYSA-N 1 2 339.399 0.460 20 30 ECEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C[C@@H]1C ZINC000947614808 611619887 /nfs/dbraw/zinc/61/98/87/611619887.db2.gz ABJFDZVCZJOELL-UWVGGRQHSA-N 1 2 343.229 0.701 20 30 ECEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2nnn(C)n2)C[C@@H]1C ZINC000947614808 611619888 /nfs/dbraw/zinc/61/98/88/611619888.db2.gz ABJFDZVCZJOELL-UWVGGRQHSA-N 1 2 343.229 0.701 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000947274813 608707119 /nfs/dbraw/zinc/70/71/19/608707119.db2.gz ATUVWMRQPLHNKE-CABCVRRESA-N 1 2 332.404 0.581 20 30 ECEDLO CC[C@@H]1C(=O)NCCC[N@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000933216244 608727401 /nfs/dbraw/zinc/72/74/01/608727401.db2.gz GJJOJHMDWXFLGX-CVEARBPZSA-N 1 2 349.479 0.279 20 30 ECEDLO CC[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000933216244 608727405 /nfs/dbraw/zinc/72/74/05/608727405.db2.gz GJJOJHMDWXFLGX-CVEARBPZSA-N 1 2 349.479 0.279 20 30 ECEDLO CCN(C(=O)c1c[nH]c(C#N)c1)C1C[NH+](CCn2nc(C)nc2C)C1 ZINC000949919322 609099783 /nfs/dbraw/zinc/09/97/83/609099783.db2.gz UFSGSIYAQZUHCH-UHFFFAOYSA-N 1 2 341.419 0.941 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1 ZINC000938178081 609491754 /nfs/dbraw/zinc/49/17/54/609491754.db2.gz BPSNQKKVUHJFKQ-YNEHKIRRSA-N 1 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ZINC000914201877 609864566 /nfs/dbraw/zinc/86/45/66/609864566.db2.gz UQVIOUPDEKUMEE-ZDUSSCGKSA-N 1 2 343.474 0.838 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000938597711 609889696 /nfs/dbraw/zinc/88/96/96/609889696.db2.gz VOKCVMFSTYRWOA-KEYYUXOJSA-N 1 2 346.431 0.993 20 30 ECEDLO C[C@H](CNC(=O)NCCNc1ccc(C#N)cn1)[NH+]1CCOCC1 ZINC000916438551 609939565 /nfs/dbraw/zinc/93/95/65/609939565.db2.gz OXBKBQKUBKXJBN-CYBMUJFWSA-N 1 2 332.408 0.385 20 30 ECEDLO C[C@H]([C@H](C)NC(=O)N1C[C@H](C)N(CC#N)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000917016827 609957659 /nfs/dbraw/zinc/95/76/59/609957659.db2.gz XNVSFNDQMBURAU-YHUYYLMFSA-N 1 2 337.468 0.723 20 30 ECEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000917220293 609964378 /nfs/dbraw/zinc/96/43/78/609964378.db2.gz BNLTVIGDODWQJB-PMPSAXMXSA-N 1 2 336.484 0.250 20 30 ECEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc([C@H]2NC(=O)NC2=O)cc1 ZINC000912621391 609974905 /nfs/dbraw/zinc/97/49/05/609974905.db2.gz LLBDAYBTPFXQTF-UONOGXRCSA-N 1 2 326.356 0.603 20 30 ECEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc([C@H]2NC(=O)NC2=O)cc1 ZINC000912621391 609974907 /nfs/dbraw/zinc/97/49/07/609974907.db2.gz LLBDAYBTPFXQTF-UONOGXRCSA-N 1 2 326.356 0.603 20 30 ECEDLO C=CCCO[C@H](C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000068506088 609987212 /nfs/dbraw/zinc/98/72/12/609987212.db2.gz WSYDDTFOFMOKTA-CYBMUJFWSA-N 1 2 332.466 0.593 20 30 ECEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000938777907 609992274 /nfs/dbraw/zinc/99/22/74/609992274.db2.gz DMUZEKPNRSBEDV-CQSZACIVSA-N 1 2 326.360 0.456 20 30 ECEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000938779667 609994321 /nfs/dbraw/zinc/99/43/21/609994321.db2.gz FQFPARSZQHQVRN-VYDXJSESSA-N 1 2 346.431 0.924 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000938863200 609994402 /nfs/dbraw/zinc/99/44/02/609994402.db2.gz VZIMKTAELATPHG-ZNMIVQPWSA-N 1 2 332.404 0.581 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000938861580 610001175 /nfs/dbraw/zinc/00/11/75/610001175.db2.gz SZHRPUUHVFTTON-IMJJTQAJSA-N 1 2 346.431 0.661 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000939762666 610120453 /nfs/dbraw/zinc/12/04/53/610120453.db2.gz UXCAHGVLIQBEPC-ZNMIVQPWSA-N 1 2 332.404 0.603 20 30 ECEDLO CC(C)(C(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1)c1c[nH+]c[nH]1 ZINC000940062670 610198626 /nfs/dbraw/zinc/19/86/26/610198626.db2.gz HBIOXYYSPZMHML-GFCCVEGCSA-N 1 2 340.387 0.918 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)c[nH]1 ZINC000940095787 610207195 /nfs/dbraw/zinc/20/71/95/610207195.db2.gz ZBOTVWVKFHARKI-CYBMUJFWSA-N 1 2 326.360 0.573 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)c[nH]1 ZINC000940095787 610207196 /nfs/dbraw/zinc/20/71/96/610207196.db2.gz ZBOTVWVKFHARKI-CYBMUJFWSA-N 1 2 326.360 0.573 20 30 ECEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000940098581 610208035 /nfs/dbraw/zinc/20/80/35/610208035.db2.gz AWAPNWPHJXXHHZ-WCQYABFASA-N 1 2 340.387 0.819 20 30 ECEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000940098581 610208036 /nfs/dbraw/zinc/20/80/36/610208036.db2.gz AWAPNWPHJXXHHZ-WCQYABFASA-N 1 2 340.387 0.819 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3csc([C@H](C)OC)n3)CC2)C1 ZINC000941411030 610302049 /nfs/dbraw/zinc/30/20/49/610302049.db2.gz RXZZYEYAEOTOJV-ZDUSSCGKSA-N 1 2 348.472 0.926 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c(C)[nH]nc3Cl)CC2)C1 ZINC000941432028 610312439 /nfs/dbraw/zinc/31/24/39/610312439.db2.gz ZCBVTOKNANKNSZ-UHFFFAOYSA-N 1 2 335.839 0.837 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cn4c(n3)CC[C@H](C)C4)CC2)C1 ZINC000941456868 610319051 /nfs/dbraw/zinc/31/90/51/610319051.db2.gz VBYHLVWBMLANHG-HNNXBMFYSA-N 1 2 341.459 0.541 20 30 ECEDLO N#Cc1c[nH]c(C(=O)N2CCCN(C(=O)Cn3cc[nH+]c3)CC2)c1 ZINC000940653316 610324547 /nfs/dbraw/zinc/32/45/47/610324547.db2.gz VUHJKWXSCFKCJS-UHFFFAOYSA-N 1 2 326.360 0.458 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCN(C(C)=O)C3)CC2)C1 ZINC000941479929 610335186 /nfs/dbraw/zinc/33/51/86/610335186.db2.gz BHOUUJFACMAEGX-KRWDZBQOSA-N 1 2 346.475 0.097 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@]34CCO[C@H]3CCCC4)CC2)C1 ZINC000941484367 610337595 /nfs/dbraw/zinc/33/75/95/610337595.db2.gz VIDBKKKDYNSYCN-HKUYNNGSSA-N 1 2 331.460 0.797 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)Oc3cccnc3)CC2)C1 ZINC000941559706 610382166 /nfs/dbraw/zinc/38/21/66/610382166.db2.gz KMLUKAPDOHPNCW-HNNXBMFYSA-N 1 2 328.416 0.311 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccnc4c3ncn4C)CC2)C1 ZINC000941559973 610382423 /nfs/dbraw/zinc/38/24/23/610382423.db2.gz QWRJFYJODRZGBQ-UHFFFAOYSA-N 1 2 338.415 0.044 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cn(CCC(C)C)nn3)CC2)C1 ZINC000941564262 610384457 /nfs/dbraw/zinc/38/44/57/610384457.db2.gz FEORKJCDJLZYSZ-UHFFFAOYSA-N 1 2 344.463 0.399 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnn4cc(C)cnc34)CC2)C1 ZINC000941590182 610399021 /nfs/dbraw/zinc/39/90/21/610399021.db2.gz FRBLCTSNRYGBBX-UHFFFAOYSA-N 1 2 338.415 0.113 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3c(C)noc3Cl)CC2)C1 ZINC000941605746 610404200 /nfs/dbraw/zinc/40/42/00/610404200.db2.gz XDGZDJXDRVPQEV-UHFFFAOYSA-N 1 2 336.823 0.641 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCO[C@H](C(C)C)C3)CC2)C1 ZINC000941632647 610418605 /nfs/dbraw/zinc/41/86/05/610418605.db2.gz MVVHWTGDXHUYPT-AEFFLSMTSA-N 1 2 333.476 0.899 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCc3cnccn3)CC2)C1 ZINC000941632634 610418798 /nfs/dbraw/zinc/41/87/98/610418798.db2.gz MHKTYNBYCZGNDP-UHFFFAOYSA-N 1 2 327.432 0.261 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)Oc3ccccn3)CC2)C1 ZINC000941640805 610419507 /nfs/dbraw/zinc/41/95/07/610419507.db2.gz CVLQSXKUHSIESR-HNNXBMFYSA-N 1 2 328.416 0.311 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C[C@@H](C)N3CCCC3=O)CC2)C1 ZINC000941636980 610422958 /nfs/dbraw/zinc/42/29/58/610422958.db2.gz ZGBIBUHFEAHEGB-MRXNPFEDSA-N 1 2 346.475 0.239 20 30 ECEDLO C#CCOc1ncccc1C(=O)N1CCN(C2C[NH+](CC#C)C2)CC1 ZINC000941641603 610435306 /nfs/dbraw/zinc/43/53/06/610435306.db2.gz DPDXTHMGKUWIOV-UHFFFAOYSA-N 1 2 338.411 0.169 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnn4cc[nH]c34)CC2)C1 ZINC000941651194 610441495 /nfs/dbraw/zinc/44/14/95/610441495.db2.gz WFSYEEFGSZVXQN-UHFFFAOYSA-N 1 2 326.404 0.128 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCc3cnn(C)c3)CC2)C1 ZINC000941675112 610448223 /nfs/dbraw/zinc/44/82/23/610448223.db2.gz UEVGJEFHOQNINO-UHFFFAOYSA-N 1 2 329.448 0.204 20 30 ECEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCc3cncc(F)c3)CC2)C1 ZINC000941686158 610463963 /nfs/dbraw/zinc/46/39/63/610463963.db2.gz DNQXONZMYREYRU-UHFFFAOYSA-N 1 2 330.407 0.615 20 30 ECEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)c3cnn(C)c3)CC2)C1 ZINC000941693789 610467191 /nfs/dbraw/zinc/46/71/91/610467191.db2.gz YAKSAAGNMGWNJP-OAHLLOKOSA-N 1 2 329.448 0.375 20 30 ECEDLO O=C(C#CC1CC1)N1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000941003665 610488486 /nfs/dbraw/zinc/48/84/86/610488486.db2.gz DRTGYEKXUHBTMG-INIZCTEOSA-N 1 2 340.427 0.920 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3ncnn3C)C[C@@H]2C)c1 ZINC000942613718 610538085 /nfs/dbraw/zinc/53/80/85/610538085.db2.gz AGPNXOYYSWETJD-BBRMVZONSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ncnn3C)C[C@@H]2C)c1 ZINC000942613718 610538087 /nfs/dbraw/zinc/53/80/87/610538087.db2.gz AGPNXOYYSWETJD-BBRMVZONSA-N 1 2 338.415 0.832 20 30 ECEDLO C[C@H]1C[N@H+](Cc2cn(C)nn2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941964289 610586731 /nfs/dbraw/zinc/58/67/31/610586731.db2.gz QTULANBKQQEQJS-NHYWBVRUSA-N 1 2 327.392 0.655 20 30 ECEDLO C[C@H]1C[N@@H+](Cc2cn(C)nn2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941964289 610586733 /nfs/dbraw/zinc/58/67/33/610586733.db2.gz QTULANBKQQEQJS-NHYWBVRUSA-N 1 2 327.392 0.655 20 30 ECEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000942728970 610588878 /nfs/dbraw/zinc/58/88/78/610588878.db2.gz KCZKHGLILNATCY-CQSZACIVSA-N 1 2 340.387 0.915 20 30 ECEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000941219954 610605590 /nfs/dbraw/zinc/60/55/90/610605590.db2.gz GVLHNGHYATVRKX-CABCVRRESA-N 1 2 346.431 0.994 20 30 ECEDLO N#Cc1cc(C(=O)N[C@@H]2CCCCN(C(=O)Cn3cc[nH+]c3)C2)c[nH]1 ZINC000943198725 610744286 /nfs/dbraw/zinc/74/42/86/610744286.db2.gz GDMXKEHDDGNHIQ-CQSZACIVSA-N 1 2 340.387 0.894 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cn(C)nn3)C[C@H]2C)nc1 ZINC000944191842 610775793 /nfs/dbraw/zinc/77/57/93/610775793.db2.gz GJMJQTKMFXMALN-CJNGLKHVSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nn3)C[C@H]2C)nc1 ZINC000944191842 610775794 /nfs/dbraw/zinc/77/57/94/610775794.db2.gz GJMJQTKMFXMALN-CJNGLKHVSA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cn(C)nn3)C[C@H]2C)cn1 ZINC000944213136 610785478 /nfs/dbraw/zinc/78/54/78/610785478.db2.gz AXRWYNLGAJAKQE-CXAGYDPISA-N 1 2 338.415 0.832 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cn(C)nn3)C[C@H]2C)cn1 ZINC000944213136 610785480 /nfs/dbraw/zinc/78/54/80/610785480.db2.gz AXRWYNLGAJAKQE-CXAGYDPISA-N 1 2 338.415 0.832 20 30 ECEDLO N#Cc1ccc(C(=O)N2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)[nH]1 ZINC000943341685 610810014 /nfs/dbraw/zinc/81/00/14/610810014.db2.gz DIMHBCAYMYVCKX-CQSZACIVSA-N 1 2 340.387 0.894 20 30 ECEDLO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC000945035129 610889866 /nfs/dbraw/zinc/88/98/66/610889866.db2.gz JSMSJRRPKYUGOH-CQSZACIVSA-N 1 2 329.404 0.884 20 30 ECEDLO C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H](C)C1 ZINC000943688993 610947312 /nfs/dbraw/zinc/94/73/12/610947312.db2.gz HFRFVRTVSOYLMD-JSGCOSHPSA-N 1 2 344.419 0.474 20 30 ECEDLO C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@@H](C)C1 ZINC000943688993 610947314 /nfs/dbraw/zinc/94/73/14/610947314.db2.gz HFRFVRTVSOYLMD-JSGCOSHPSA-N 1 2 344.419 0.474 20 30 ECEDLO C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945280197 610995246 /nfs/dbraw/zinc/99/52/46/610995246.db2.gz NUQJJUJATWMNPI-WFASDCNBSA-N 1 2 340.387 0.750 20 30 ECEDLO O=C(C#CC1CC1)N1CCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000944010459 611083190 /nfs/dbraw/zinc/08/31/90/611083190.db2.gz LZTWNLFCCPUSBC-NVXWUHKLSA-N 1 2 340.427 0.966 20 30 ECEDLO N#Cc1cc(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)Cc2[nH]cc[nH+]2)c[nH]1 ZINC000946296477 611201903 /nfs/dbraw/zinc/20/19/03/611201903.db2.gz YRTJTYBRFYOAAV-FZMZJTMJSA-N 1 2 340.387 0.867 20 30 ECEDLO C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)CC1 ZINC000923270828 611222834 /nfs/dbraw/zinc/22/28/34/611222834.db2.gz ZKGSCPMWAAXRCW-TZMCWYRMSA-N 1 2 327.450 0.349 20 30 ECEDLO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000834512308 611289843 /nfs/dbraw/zinc/28/98/43/611289843.db2.gz UTXZOTPOUAMLDO-GXFFZTMASA-N 1 2 343.412 0.303 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCOC[C@@H]2C[C@H]2CCCO2)CC1 ZINC000933681378 611740869 /nfs/dbraw/zinc/74/08/69/611740869.db2.gz JWOJXGGPJKWGPF-DLBZAZTESA-N 1 2 335.448 0.034 20 30 ECEDLO C#CCN1CCN(C(=O)C[N@H+]2CCOC[C@@H]2C[C@H]2CCCO2)CC1 ZINC000933681378 611740871 /nfs/dbraw/zinc/74/08/71/611740871.db2.gz JWOJXGGPJKWGPF-DLBZAZTESA-N 1 2 335.448 0.034 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nncn3C)[C@@H](C)C2)cn1 ZINC000947949739 611753226 /nfs/dbraw/zinc/75/32/26/611753226.db2.gz ZQMOBXHRWSTKDB-BBRMVZONSA-N 1 2 338.415 0.974 20 30 ECEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nncn3C)[C@@H](C)C2)cn1 ZINC000947949739 611753227 /nfs/dbraw/zinc/75/32/27/611753227.db2.gz ZQMOBXHRWSTKDB-BBRMVZONSA-N 1 2 338.415 0.974 20 30 ECEDLO N#CCC[N@H+](CCN1CCOCC1)C[C@@H](O)CCC1(O)CCC1 ZINC000929775442 611792242 /nfs/dbraw/zinc/79/22/42/611792242.db2.gz ZYESECIODQKZIA-INIZCTEOSA-N 1 2 325.453 0.590 20 30 ECEDLO N#CCC[N@@H+](CCN1CCOCC1)C[C@@H](O)CCC1(O)CCC1 ZINC000929775442 611792243 /nfs/dbraw/zinc/79/22/43/611792243.db2.gz ZYESECIODQKZIA-INIZCTEOSA-N 1 2 325.453 0.590 20 30 ECEDLO COC(=O)c1cncc(CN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000929774433 611792328 /nfs/dbraw/zinc/79/23/28/611792328.db2.gz ONPGYIBBCJRQFW-UHFFFAOYSA-N 1 2 332.404 0.916 20 30 ECEDLO CCn1ncc(C[NH+]2CCC3(CC2)CN(C(=O)[C@H](C)C#N)CCO3)n1 ZINC000949051502 611829311 /nfs/dbraw/zinc/82/93/11/611829311.db2.gz JRSGIFKQYZGAGG-CQSZACIVSA-N 1 2 346.435 0.651 20 30 ECEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)C3(C(N)=O)CC3)CC2)cc1 ZINC000949983368 611834034 /nfs/dbraw/zinc/83/40/34/611834034.db2.gz WWHGBPJRPFPOPQ-UHFFFAOYSA-N 1 2 342.399 0.499 20 30 ECEDLO C=C1CCC(C(=O)N2CC[NH+](C[C@H](O)CN3CCCC3=O)CC2)CC1 ZINC000950023042 611845629 /nfs/dbraw/zinc/84/56/29/611845629.db2.gz KQECMLHIFXDEJL-KRWDZBQOSA-N 1 2 349.475 0.860 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3cccc4n[nH]nc43)CC2)C1 ZINC000949373171 611955269 /nfs/dbraw/zinc/95/52/69/611955269.db2.gz MCNZMEHPKJRCBC-UHFFFAOYSA-N 1 2 339.399 0.898 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3cccc4n[nH]nc43)CC2)C1 ZINC000949373171 611955270 /nfs/dbraw/zinc/95/52/70/611955270.db2.gz MCNZMEHPKJRCBC-UHFFFAOYSA-N 1 2 339.399 0.898 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)c3ccnc4[nH]cnc43)CC2)C1 ZINC000949379110 611957199 /nfs/dbraw/zinc/95/71/99/611957199.db2.gz OEKJIIHUVSTYHI-UHFFFAOYSA-N 1 2 339.399 0.898 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)c3ccnc4[nH]cnc43)CC2)C1 ZINC000949379110 611957200 /nfs/dbraw/zinc/95/72/00/611957200.db2.gz OEKJIIHUVSTYHI-UHFFFAOYSA-N 1 2 339.399 0.898 20 30 ECEDLO N#CCN1CCOC2(CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)C1 ZINC000949398106 611964632 /nfs/dbraw/zinc/96/46/32/611964632.db2.gz HOPXRPOGTFGAQH-HNNXBMFYSA-N 1 2 343.431 0.662 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)Cc3cc(C)nn3C)CC2)C1 ZINC000949412156 611969686 /nfs/dbraw/zinc/96/96/86/611969686.db2.gz QNJFXOGLCGFZKG-UHFFFAOYSA-N 1 2 330.432 0.598 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)Cc3cc(C)nn3C)CC2)C1 ZINC000949412156 611969688 /nfs/dbraw/zinc/96/96/88/611969688.db2.gz QNJFXOGLCGFZKG-UHFFFAOYSA-N 1 2 330.432 0.598 20 30 ECEDLO C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](OC)[C@H]3CCOC3)CC2)C1 ZINC000949427545 611975600 /nfs/dbraw/zinc/97/56/00/611975600.db2.gz PBGVYVUYJNECHR-HOTGVXAUSA-N 1 2 336.432 0.365 20 30 ECEDLO C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](OC)[C@H]3CCOC3)CC2)C1 ZINC000949427545 611975601 /nfs/dbraw/zinc/97/56/01/611975601.db2.gz PBGVYVUYJNECHR-HOTGVXAUSA-N 1 2 336.432 0.365 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000952958702 612138472 /nfs/dbraw/zinc/13/84/72/612138472.db2.gz VXKOAFBICQFXCU-GUYCJALGSA-N 1 2 329.404 0.953 20 30 ECEDLO C[C@@H](C#N)C(=O)N1CC[C@@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000951941087 612146006 /nfs/dbraw/zinc/14/60/06/612146006.db2.gz FMFBLAISGOJUOS-GXTWGEPZSA-N 1 2 338.371 0.758 20 30 ECEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000952174353 612264434 /nfs/dbraw/zinc/26/44/34/612264434.db2.gz IJOKQRXLAXCDRU-MCIONIFRSA-N 1 2 346.431 0.996 20 30 ECEDLO C=CCn1cc(C(=O)N2CC[NH+](CCCc3nc(C)no3)CC2)nn1 ZINC000951559596 612344293 /nfs/dbraw/zinc/34/42/93/612344293.db2.gz DUZZHZOIRWHFOL-UHFFFAOYSA-N 1 2 345.407 0.546 20 30 ECEDLO CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C1CN(C(=O)C#CC2CC2)C1 ZINC000954606774 612443218 /nfs/dbraw/zinc/44/32/18/612443218.db2.gz RKPFWOOBSRBTDQ-AWEZNQCLSA-N 1 2 326.400 0.528 20 30 ECEDLO C[C@@]1(NC(=O)c2cc(C#N)c[nH]2)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000956804786 612568536 /nfs/dbraw/zinc/56/85/36/612568536.db2.gz VFLZFIFCWUFPLS-QGZVFWFLSA-N 1 2 340.387 0.894 20 30 ECEDLO